smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(=O)OC)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 10173549 AOVDSXHQERWEGF-UHFFFAOYSA-O 492.665 5.616 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(CO)c2)cc1 10174176 KHCJDXUSHPXDHL-UHFFFAOYSA-O 489.539 5.539 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 11164405 XTZOPLASAOKQLR-UHFFFAOYSA-O 479.669 6.795 30 20 JKED C=CCNC(=O)[C@H](C)Sc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1CC=C 16867142 FUZNTDLRNIQUJC-IBGZPJMESA-N 469.614 5.438 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nnc1-c1cccc(C)c1 18972689 XZJFZJCXUZZJRU-HSZRJFAPSA-N 478.618 5.638 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)s3)o2)nnc1-c1ccc(OC)cc1 18974991 IESQYWZFWUJBIF-UHFFFAOYSA-N 490.408 5.306 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccc(C)s4)csc3[nH]2)nnc1-c1cccc(C)c1 20067890 FFTLUFAJFDDWMS-UHFFFAOYSA-N 491.667 6.067 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)c1 22732291 ZKBXAWVZYMYBHN-UHFFFAOYSA-O 453.578 6.163 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 25439311 QSMFVQZPKHMJHE-UHFFFAOYSA-N 498.402 5.303 30 20 JKED CC(C)n1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl 25763491 KKUSSMCOQTZJHE-RBZFPXEDSA-N 454.427 5.368 30 20 JKED Cc1ccccc1OCc1nnc(SCCC(=O)Nc2cccc(C#N)c2)n1-c1ccccc1 26372128 GDHRHPDAJKWQTD-UHFFFAOYSA-N 469.570 5.147 30 20 JKED CC(=O)Nc1cccc(Nc2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)s2)c1 105818158 QUDRKJVSCXFZAG-UHFFFAOYSA-N 476.587 5.083 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 109744851 WIAUGXPSFKOPGP-UHFFFAOYSA-N 469.610 5.017 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)cs1)c1ccc(F)cc1F 214909504 HAILOPGNRPDCPU-BENRWUELSA-N 478.524 5.805 30 20 JKED CN1CCC2(CC1)C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1O2 216322669 NGFZIIPKZAQYQH-VWLOTQADSA-N 483.637 5.569 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 218660854 WWTUHNJOTOTAAC-KRWDZBQOSA-N 456.999 5.433 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 302980670 PUTFSWREKCDFCM-BDYUSTAISA-N 490.525 5.353 30 20 JKED COc1ccc(-c2csc(NC(=O)CSc3nc(C)cc(C(F)(F)F)c3C#N)n2)cc1 488184234 NTFYCHGWQQTFFI-UHFFFAOYSA-N 464.494 5.143 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3nccs3)cc2)nnc1-c1ccc(Cl)cc1 488597231 ZRPVKJRCAKPAHF-UHFFFAOYSA-N 468.007 5.639 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)s2)cc1 491538147 LQWBMLHOHQHLQJ-UHFFFAOYSA-N 460.371 5.742 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)s1 498007627 QFDQGBMBEOROSS-JOCHJYFZSA-N 493.032 5.792 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1Cl 501161135 MWBDMLZXGCKLPE-RUZDIDTESA-N 495.970 5.964 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1C 505508644 WNXVWVWYQKFAQV-UGKGYDQZSA-N 452.480 5.385 30 20 JKED COC(=O)Cc1sc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)nc1-c1ccccc1 509584184 BWMZILKEEJZRPR-UHFFFAOYSA-N 483.549 5.229 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 510225364 WXKMCIGXPRUVCJ-UHFFFAOYSA-N 467.481 5.522 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 510906176 KVTDDSQHEGWQJI-UHFFFAOYSA-N 482.371 5.715 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Br)s1 513654710 NBMAMOHPFRKKHM-AWEZNQCLSA-N 463.378 5.353 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC1CCCC1 513667093 RGGCCDCSSLMROL-KRWDZBQOSA-N 463.559 5.096 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)NCCSCc4ccccc4C#N)cc3)o2)cc1 514519347 DPWUUBGELRNGCM-UHFFFAOYSA-N 454.555 5.247 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)no1 515171879 NYCGGIMLVSCDPK-UHFFFAOYSA-N 457.515 5.290 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 515520457 DSJBOEJRKNSNOL-FQEVSTJZSA-N 470.573 5.058 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)C1CCCCC1 515540497 YFNLHPWOGPEFJA-LJQANCHMSA-N 496.583 5.805 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 515691604 SFJNLZRMVKCWBZ-UHFFFAOYSA-N 458.564 5.513 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 516223810 AFEQEKQEQGCPIC-IBGZPJMESA-N 454.555 6.372 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1)c1ccccc1 517281357 LAFGTSCNXFLRIY-JOCHJYFZSA-N 471.969 6.230 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1)O[C@H](C)C2 517404940 ZNINRAXEOOVDNE-FMNCTDSISA-N 484.621 5.859 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 518683514 WRPOBXGEJQYTJW-WMZOPIPTSA-N 482.009 6.053 30 20 JKED C=CCn1c(SCC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)nnc1-c1ccc(Cl)cc1Cl 519386608 FOZDDIOGTKIKFQ-SFYZZRBRSA-N 477.461 5.567 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2Br)no1 520075693 SHDYWZWNJZRDFC-HNNXBMFYSA-N 468.332 5.424 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1C 520452626 MTVUENMMALMEIL-UHFFFAOYSA-N 469.589 5.205 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 521738815 MEYFKVNLRACWDD-ZBMXUVHHSA-N 481.621 5.290 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCc3ccc(Oc4ccccc4)cc3)c2)cc1 522496899 PAXDCFCUKDLDKI-UHFFFAOYSA-N 491.547 5.379 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(C)cc2C)cc1 523634303 PIXMDEYRSUFHTM-LJQANCHMSA-N 457.530 5.134 30 20 JKED COc1ccc2ccccc2c1CN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C1CCCC1 524388351 ZFVCTMMOPIDJFO-UHFFFAOYSA-N 481.600 5.284 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 590335810 DLAFTWVHEAHPPH-QGZVFWFLSA-N 477.380 5.349 30 20 JKED N#CCCn1cc(C(=O)CN2CCc3[nH]c4ccc(Br)cc4c3C2)c2ccccc21 591384814 RUPMSIPBALCVAJ-UHFFFAOYSA-N 461.363 5.040 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CSCc3ccc(Br)cc3)s2)cc1 603449609 NZBFEDCZUZOQLK-UHFFFAOYSA-N 491.461 5.336 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OCc1cscn1 603623292 REDZWNPEKHUBJW-UHFFFAOYSA-N 458.499 5.042 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603648682 JKDIUWIPFFDLNA-UHFFFAOYSA-N 492.992 5.753 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)cc1 603827768 CJWWBGZVAPUDKZ-UHFFFAOYSA-N 460.603 5.804 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1Cl 603971422 OMZHLNPSVGBTSA-FQEVSTJZSA-N 473.941 5.515 30 20 JKED C[C@H](Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 604126508 DHGUKTYURUEIHE-AWEZNQCLSA-N 482.993 5.826 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3nccnc3-c3nc4ccccc4s3)cn2)cc1 604241916 WPPZPNUYULVBDQ-UHFFFAOYSA-N 450.483 5.065 30 20 JKED CC(C)(C)[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 608919194 BRDZPISFRSYRDZ-IBGZPJMESA-N 475.515 5.061 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cc2c(cc1Br)OCCO2 609062098 XHXKFVWZTAIPBO-UHFFFAOYSA-N 493.357 5.161 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cc3cc(Br)cc(Br)c3o2)c1 609066365 DUFDSEZIDWQTRR-UHFFFAOYSA-N 486.066 5.683 30 20 JKED C=C(C)CN(CC)C(=O)Nc1cccc(NC(=O)c2ccccc2I)c1C 609207055 FUMUYJVWFBZPSN-UHFFFAOYSA-N 477.346 5.282 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3cc(C#N)cn3C(C)(C)C)oc3ccccc23)s1 609358362 JFSRPCNLNBEZSW-UHFFFAOYSA-N 451.577 5.566 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 609378542 UUZLVNHPVAZFMU-UHFFFAOYSA-N 451.861 5.198 30 20 JKED COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2cccnc12 609378908 IDXQBYLEWWTVOB-UHFFFAOYSA-N 467.494 5.069 30 20 JKED Cc1cc(C)n2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c2n1 613344675 LYMZSFLKZRWZDG-OAHLLOKOSA-N 456.358 5.575 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(C)C 613346369 HSEQIFMIJRHFJW-INIZCTEOSA-N 461.370 6.403 30 20 JKED O=c1c(Cl)c(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1F 613438168 ULKDPZZPLWQLHV-RKDXNWHRSA-N 475.767 5.486 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 620304482 DCRYZSHAFPZQBX-MRXNPFEDSA-N 465.481 5.762 30 20 JKED O=C(Nc1ccc(OCc2ccccc2F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622626761 DBVTVERUGWSMHG-GASCZTMLSA-N 464.381 5.999 30 20 JKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1cn(-c2ccccc2)nc1-c1ccncc1 725753603 HJUCEJFIZZEPDR-UHFFFAOYSA-N 457.950 5.017 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)S/C1=N/[C@H](C)c1cccs1 726421096 KMWYOPNQTYKIIO-NLADNXFPSA-N 478.437 5.086 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)COCC(F)(F)F)c1cccs1 726421821 PWEKKZGHJVOXJA-UXVDFJIGSA-N 499.580 5.105 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc3c(c2)CCO3)cc1 726569913 OHXYYOKRAPYRQS-UHFFFAOYSA-O 488.633 5.319 30 20 JKED C#CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OCC 726626196 AVUCUQDATJQMHO-JAIQZWGSSA-N 454.960 5.028 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccccn2)cc1Cl 726892922 XEYAKTSYAKPIOO-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2)c1C 727252704 LRIIRTOGWAXPCA-QFIPXVFZSA-N 496.036 5.334 30 20 JKED N#C[C@@H](C(=O)CNC(=O)NCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 727626583 DDXUZZZZFHSAHR-INIZCTEOSA-N 493.803 5.446 30 20 JKED COc1cc([C@H](C#N)NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC 727646834 GQRXPATZZADVGL-AWFCHZOYSA-N 488.384 5.144 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)CC1 727761814 CQQYSEAKXFLRCM-RUZDIDTESA-N 496.567 5.328 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccccc2I)cs1 727780524 ONWJGVLKGMTYLC-FLIBITNWSA-N 492.313 5.468 30 20 JKED COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062007 GHTSPHAHLFLYBV-MSOLQXFVSA-N 463.965 5.477 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1F 728121514 IBWAMFWNNBBPBV-UHFFFAOYSA-N 453.901 5.602 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2F)c1 728393473 XJOZUFIMUCRIEW-QHCPKHFHSA-N 475.520 5.195 30 20 JKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)N1CCOC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 728411939 PSPCTTRZAGCBJB-PXNSSMCTSA-N 486.380 5.877 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCO[C@@H](c4ccccc4Br)C3)c2)cc1 728522325 KXDFIJIUQSIXKB-HSZRJFAPSA-N 463.331 5.327 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(CCCCC#N)C2=O)cc1 728779730 KFYMMRUNRFYLGY-NRFANRHFSA-N 486.544 5.018 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](c1ccccc1)c1cccc(Br)c1 729111111 ASGIQLIDWWEQGY-XMMPIXPASA-N 466.379 5.442 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730460021 SAMMYVTUMFJMSS-GOSISDBHSA-N 481.471 5.079 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Br)c1 731077610 ODDTYNRXWFLQLL-OAHLLOKOSA-N 475.408 5.160 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)cc2Cl)cc1 731105020 BYFZZGXMYRVXAI-VWLOTQADSA-N 479.939 6.121 30 20 JKED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 731278366 OQAAHPUBOGNRQP-DQQTXVFNSA-N 482.650 5.112 30 20 JKED C[C@H](Sc1nnc(-c2ccncc2)n1CC(F)(F)F)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 743553253 BJNNWDDUFWEGHG-NPRIEWAGSA-N 487.551 5.264 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3nc(C(C)C)ncc3Cl)c2C#N)C1 744676020 PYBWNVMZSZYWDM-CQSZACIVSA-N 489.041 5.523 30 20 JKED CC(C)(C)N1C/C(=C\c2cnc(-c3ccccc3)nc2)C(=O)/C(=C/c2cnc(-c3ccccc3)nc2)C1 747066520 MKVVSABKDOEBPJ-CIOBDNPFSA-N 487.607 5.751 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cscn2)c(Cl)c1 747603634 SVFWZPYGRGWQEB-FQEVSTJZSA-N 499.061 5.252 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cnc(-c2ccccc2Cl)s1 748003533 BNHBICFAOGHFSW-AWEZNQCLSA-N 463.918 5.739 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1F)C(=O)Nc1ccc(Cl)cc1Cl 748003927 LWZWPAYSIJZTAX-CYBMUJFWSA-N 490.181 5.476 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Oc2c(Cl)cc(C#N)cc2OC)nnc1-c1ccccc1 749785682 MMPYELHAOOSONE-CQSZACIVSA-N 456.955 5.147 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 750390775 BMEAGZIMTNJOBV-OAQYLSRUSA-N 463.522 5.110 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cccs2)C1=O 837448103 CXHWTOQQQPUXDZ-QFIPXVFZSA-N 479.627 5.534 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 838546070 MWCOMKBANJWIBH-SZNDQCEHSA-N 484.503 5.220 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)C(C)(C)c2ccccc21 849204788 AUIXHGDSWWLCEM-XDHOZWIPSA-N 457.502 5.311 30 20 JKED C[C@@H](OC(=O)c1occc1CSc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 857860181 RXBOFGKKXVRGSR-CQSZACIVSA-N 452.557 5.178 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1 904475391 IJTDCFXDUQVHPM-NRFANRHFSA-N 472.549 5.394 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)C1(c2ccc(Br)cc2)CCCCC1 913349612 ITFAINJBYSKDBY-UHFFFAOYSA-N 487.419 5.449 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 913609085 ZZYDHEBBFDPLBT-OAQYLSRUSA-N 482.613 5.374 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccccc2COC(C)C)cc1C 914539844 JZNWSQUFGBWJJP-XMMPIXPASA-N 479.646 5.029 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)CC1 914849963 FAXYQGOUTAMCJU-PXLXIMEGSA-N 476.939 5.106 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 914909070 SYYXSAOGCUPCQP-GOSISDBHSA-N 463.559 5.009 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)nc(Cl)c3)s2)c(C(F)(F)F)c1 915649823 HJVBGTOCPRGSOI-UHFFFAOYSA-N 457.264 5.578 30 20 JKED Cc1ccc(-n2c(N(C)C)nc(C=Nn3cnnc3SCc3ccc(Cl)cc3)c2Cl)cc1 915955299 CRMOJEXCZGMSID-UHFFFAOYSA-N 486.432 5.320 30 20 JKED N#Cc1c(CCCNC(=S)Nc2ccc(Oc3ccccc3)cc2)nn(-c2ccccc2)c1N 916013758 YAYFJLXMYYADHK-UHFFFAOYSA-N 468.586 5.038 30 20 JKED C=CCOc1c(Br)cc(/C=C(/Cl)c2nc(O)c3ccccc3n2)cc1OCC 916139995 MXIRDBKIPGVCSY-LFIBNONCSA-N 461.743 5.798 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccn3)C2=O)cc1Cl 916204306 BTQBYGPAFAZTSM-OAQYLSRUSA-N 464.978 5.204 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c(OC)c1 916212223 UHXBZHAPMRLATK-OAQYLSRUSA-N 499.976 5.111 30 20 JKED CC(=O)N(c1nc(C=NN(Cc2ccccc2)c2ccccc2)cs1)c1ccc(F)cc1F 916249649 DELNXKLPZKVWGS-UHFFFAOYSA-N 462.525 6.147 30 20 JKED CCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)ccc1OCc1c(F)cccc1Cl 916293205 CSGKZTIWIXZBRC-UHFFFAOYSA-N 465.912 5.357 30 20 JKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846435 VKMLWPYRMKGCGR-MFKMUULPSA-N 478.426 5.940 30 20 JKED Cc1cc2occ(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2cc1C(C)C 916884254 UYQDLJFQIUAXOL-HXUWFJFHSA-N 456.514 6.069 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 916927956 FYISNQUAMIBIFG-INIZCTEOSA-N 488.400 5.020 30 20 JKED N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 916928529 NFDLEFYWFDIGHQ-MRXNPFEDSA-N 482.392 6.334 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1sc2cccc(Cl)c2c1Cl 916932455 VWIHIVJMBRMFAA-SECBINFHSA-N 458.153 6.476 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1Cl 916938979 DGYWUVQTRWTHRM-SFHVURJKSA-N 495.944 5.678 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1 916949119 MEIUKSMDJWKIFY-MWTRTKDXSA-N 463.628 6.219 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045033 XAKPCZJADXYWOE-QAPCUYQASA-N 489.494 5.112 30 20 JKED C=CCN(Cn1nc(-c2cc(OC)c(OC)c(OC)c2)n(C2CCCCC2)c1=S)C(C)C 917481598 QWKHSNKWNHTYFV-UHFFFAOYSA-N 460.644 5.466 30 20 JKED N#Cc1ccc(CN(Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC(F)(F)F)cc1 917615331 KOFMLRCCYSVTRO-UHFFFAOYSA-N 466.438 5.096 30 20 JKED FC(F)(F)c1ccc2sc(=S)n(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2c1 918731717 BBDNREUJCFPTGK-UWVGGRQHSA-N 468.410 6.471 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 919904633 QIBVSBZEKBSSTC-RUZDIDTESA-N 472.976 5.375 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)C(=O)Nc1ccc(Cl)cc1 920108703 YIMGTMZVHXZQLU-MRXNPFEDSA-N 472.726 5.038 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CSc4nc(C)cs4)cc3)n2)cc1 920143842 TVJIBTMDTHPXJU-HXUWFJFHSA-N 477.636 6.366 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)SC2=Nc2ccccc2)no1 920354850 HZOATYMIAOCMQM-LJQANCHMSA-N 488.491 5.162 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 920356838 VMLQWSGFRCELLD-QFIPXVFZSA-N 497.020 5.722 30 20 JKED COc1cccc(NC(=S)NN=Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)c1 920361108 HULSCTXYMYJAKD-UHFFFAOYSA-N 493.536 5.176 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1)C(F)(F)F 1785792492 FYPQBLAGTORGRO-UHFFFAOYSA-N 461.871 5.688 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1786105939 AIZSRQGQSUSHQI-UHFFFAOYSA-N 495.664 5.536 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)o3)cc2)CCC1 1786493342 BMKDHLVSRIAPBY-NRFANRHFSA-N 481.593 5.195 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)c(Br)c4)CCC3)cc2)CC1 1787880789 IUDPLZLORRINPS-UHFFFAOYSA-N 472.770 5.154 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(F)c4s3)cc2)CCC1 1788984098 DFKMZUUQEICFOM-UHFFFAOYSA-N 478.593 5.070 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5scnc5c4)cc3)CCC2)c(C#N)c1 1789340606 BNMWHFCBSBBGAN-UHFFFAOYSA-N 496.592 5.167 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCCNC(=O)OC(C)(C)C)CCC2)cc1 1789448491 AHSJTKXOLSYGCF-HSZRJFAPSA-N 483.653 5.584 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CCN4CCCC4)nc3)CCC2)cc1 1789453623 CRVVMSZRFDEGNS-MHZLTWQESA-N 486.660 5.236 30 20 JKED CC(C)N1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508999 HOXZVSRVQHDAOJ-DEOSSOPVSA-N 467.730 5.044 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)cc(Cl)n4)CCC3)cc2)c1 1790074338 NSJBGHNBDKNCOE-UHFFFAOYSA-N 495.366 5.330 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)c1 1790524319 VDEOUCHBBXMJHI-LJQANCHMSA-N 480.543 5.315 30 20 JKED CC(C)(C)OC(=O)C(C)(C)CC(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707863 RATQYCJMFDYLAR-UHFFFAOYSA-N 489.616 5.258 30 20 JKED COc1c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)ccc(F)c1F 1790727877 CUGQOZTYWWPAIL-UHFFFAOYSA-N 475.495 5.101 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)[S@](=O)c4ccccc4)CCC3)cc2)c1 1792127268 UXFLJCKNKZGSOS-CPYONXFTSA-N 499.636 5.258 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)cc2)CCC1 1792332951 LOVASWAEWZZPMP-QFIPXVFZSA-N 469.626 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1793048924 DHXOOAJJUMGMIV-KOUNCHBCSA-N 478.633 5.660 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2c1 1798136884 WXRVGHDXCYTDNE-KOUNCHBCSA-N 481.434 5.623 30 20 JKED C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)c1ccccc1 1801752062 ISSPQOSBGRGHGO-LTFXSFKNSA-N 469.507 5.023 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1802500644 NNVUDJCNGWNAHF-BDYUSTAISA-N 488.676 5.384 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2OC)[C@H]1c1cccnc1 1802502836 MPXKUAMCUPVYTL-KNQAVFIVSA-N 470.013 5.056 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1802631059 FRMWXDLPXVIYQM-REPLKXPHSA-N 465.421 5.226 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1803082734 XGTUSIBVORERBI-HFRGRHLUSA-N 466.025 5.313 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(OC)c(OC)c3Cl)C2)CC1 1805116103 NXIPFMWOSAIYPC-UHFFFAOYSA-N 477.045 5.194 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(F)cc4Cl)C3)CC2)c1Cl 1806556139 OXPRMBSFVJOQML-UHFFFAOYSA-N 488.390 5.092 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)oc2ccccc12 1809167974 PJWSFEDHKYKDRJ-NBGIEHNGSA-N 498.970 5.295 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CC[C@H]3CNc4ccccc4C3)C2)CC1 1809841212 ZNHYKLWKQZGEDB-HSZRJFAPSA-N 463.666 5.051 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810241235 CUCAJPHZRJRHPM-IWQRJCBASA-N 477.674 5.694 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2cccs2)[C@H]1c1cccnc1)c1ccccc1 1810447674 NMSDRRFCZVMLND-BQXMOOCUSA-N 485.653 5.150 30 20 JKED CC(C)=CCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811252182 TXXLYVOBCBUGLL-IGYGKHONSA-N 491.635 5.547 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)[nH]n1 1814440369 RLRJVYPHSGASJB-OAQYLSRUSA-N 461.566 5.363 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3C(C)(C)C)n[nH]2)c1 1817711566 RMHNSSGGVLQVMV-WZONZLPQSA-N 484.604 5.349 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817772468 VANMXZOTLKAJMD-DEOSSOPVSA-N 478.556 5.235 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818604953 IGRLJEMQJFETMN-VGOFRKELSA-N 477.996 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1819555095 ZECIVWOSLRPBPV-GNNUASRNSA-N 460.578 5.854 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820087804 GMTVAYLZWPKLOY-HRAATJIYSA-N 472.549 5.064 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2)n[nH]1 1820527553 RZJILVCWLFEFFB-AZUAARDMSA-N 460.500 5.503 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1 1821180830 FGDKTOBAEDLBRV-DEOSSOPVSA-N 485.588 5.273 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)[nH]n2)cc1 1821181741 PXPFOXHHDTVBPE-DEOSSOPVSA-N 498.974 5.297 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4cc[nH]n4)cc3)n[nH]2)c1 1821233717 SHNFQJOSJHFVHZ-CJAUYULYSA-N 493.571 5.047 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@H](C)c3ccccc3)n[nH]2)c1 1822044801 OWILTHAUZMVKLX-DFIYOIEZSA-N 469.589 5.536 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1)c1ccc(O)cc1 1822468621 OASQQPWJMWYWAV-RCZVLFRGSA-N 476.621 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)[nH]n2)c1 1823212074 QLFKIYPLJPSZBV-BCHFMIIMSA-N 492.583 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)c3ccc(Cl)cc3)[nH]n2)c1 1823212915 ZKCZTVCAUQSYAX-NXMSCROESA-N 490.007 5.800 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)cc2s1 1823216293 GCKNSMCWICHMLT-IVZQSRNASA-N 486.601 5.508 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)c2O1 1823683605 PRLKUTGOOIPMHO-MHZLTWQESA-N 499.655 5.138 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@](C)(OC)c3cccc4ccccc34)CC2)C1 1823701788 OMLRSBIEFWOSJG-BHBYDHKZSA-N 474.645 5.287 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3C)CC2)c(C#N)c1 1823916536 TWTOQOYHDDDQBF-AREMUKBSSA-N 494.035 5.005 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1824502829 ZWVVUUSZXVAAOE-JOCHJYFZSA-N 484.534 5.061 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824875599 JBDCJWGRPKJTOA-IBGZPJMESA-N 496.467 5.810 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)c2O1 1827513261 UHNUWCCMANJXMU-HHHXNRCGSA-N 499.655 5.138 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cc(O)ccc4n3)CC2)c1 1828094060 CEIHYKFHNNDCKZ-NGOKVRLYSA-N 496.611 5.115 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1828422825 VWNWFSUOBHHFGH-NBGIEHNGSA-N 488.619 5.021 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)cc1 1828996633 MUOXQLISYUKTTN-FCFFNXBQSA-N 498.627 5.002 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncoc3c2)CC1)c1ccccc1 1829033659 YWDVNQRNKYTRSY-XNMGPUDCSA-N 483.612 5.258 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1829066571 JRGDHYGRPHBLPD-YKSBVNFPSA-N 456.593 5.516 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829137220 PACROJODQMIHFZ-IBGZPJMESA-N 453.549 5.259 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)c(Cl)c1 1830723202 YGTQRWGLWHDPNI-QFIPXVFZSA-N 481.021 5.302 30 20 JKED CC/C=C(\C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755633 LKXOKGGYZOOPDQ-QEQOENRNSA-N 461.528 5.167 30 20 JKED Cc1cscc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830756644 RURBUQLIVWXCOJ-JOCHJYFZSA-N 489.563 5.494 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)CC1 1830801942 ASOFUTBIRBNRIQ-HSZRJFAPSA-N 469.626 5.151 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830995646 YPLGEYAGYBZFJK-HXUWFJFHSA-N 463.956 5.266 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2N2CCCCC2)CC1)C(F)(F)F 1831453829 MWSGEEZLEXAMFI-QFIPXVFZSA-N 477.571 5.029 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1831851571 KVSZKZGJXWYXKJ-IBGZPJMESA-N 486.937 5.535 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)CC1 1831851822 AKBKEXUZYAGCMM-XMMPIXPASA-N 499.627 5.210 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1F 1832620450 DRVAYRYMWRLEKF-AREMUKBSSA-N 479.571 5.011 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1832627303 BEQXRDFACZKIFC-DWACAAAGSA-N 482.628 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3nc4ccccc4o3)CC2)c1 1832632777 BZYHJJCUWXUHHA-DVECYGJZSA-N 470.573 5.002 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1841611378 LRGNZTRNYQDVRK-OAQYLSRUSA-N 470.569 5.040 30 20 JKED C=CCn1c(C)cc(C(=O)CSc2nnc(CSc3nc4ccccc4s3)n2C)c1C 8640690 GPYAFAFOLILWDL-UHFFFAOYSA-N 469.661 5.296 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1 9446948 HLECPMFXFDQOHI-HNNXBMFYSA-N 492.586 5.282 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(CO)c2)cc1 10172416 NZZMGPYEUVYFPA-UHFFFAOYSA-O 497.640 6.433 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173628 ALOWSOAJLOHQRJ-UHFFFAOYSA-O 481.641 6.187 30 20 JKED C=CCn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nc2sc(-c3ccccc3)c(C)c2c1=O 10374514 MARKFKQFIGEDSN-HXUWFJFHSA-N 465.575 5.077 30 20 JKED Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)cs2)c1 10775728 NBPZYBSJZIQYRC-UHFFFAOYSA-N 476.602 5.248 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)cc1C 11018083 KLFGFCXCSMNIFJ-UHFFFAOYSA-N 487.654 5.575 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c1C 11158718 BGCGWGBPWXKGLB-UHFFFAOYSA-O 477.393 5.185 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1F)[n+]1ccc(Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 11169492 UDRBZIYLQWSBPB-UHFFFAOYSA-O 486.548 5.663 30 20 JKED CC(C)CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O 11233142 URGJCJBMMCNVKO-HNNXBMFYSA-N 454.983 5.087 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)sc2c1CCCCC2 14062068 DIALHUKOQNFYHK-HNNXBMFYSA-N 499.687 5.118 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)Nc4cc(Cl)ccc4C#N)cc3)o2)cc1 16287690 SQIKGJLKYUBQMQ-UHFFFAOYSA-N 472.888 5.033 30 20 JKED C=CCNC(=O)[C@H](C)Sc1nnc(-c2cc(Cl)ccc2OC)n1-c1ccc(OC)c(Cl)c1 16821303 HSFZWHZOTOAXKR-ZDUSSCGKSA-N 493.416 5.041 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nc2scc(-c3ccccc3)c2c1=O 18330896 KREUMQDQQJKZHF-UHFFFAOYSA-N 488.594 5.662 30 20 JKED Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1Cc1ccccc1 22354157 ZTTXFMVDZADKSM-UHFFFAOYSA-N 492.004 5.587 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(C)C3(C#N)CCCCC3)n2C2CCCCC2)cc1 23422156 IRGKSSQCYRPIOX-UHFFFAOYSA-N 467.639 5.236 30 20 JKED C=C(C)CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccn2)SC1=S 23624132 NHLHHYAWSRGGHV-VCHYOVAHSA-N 461.406 5.200 30 20 JKED COc1cccc(-c2nnc(SCc3c(C#N)c(C)nn3-c3ccccc3)n2Cc2ccco2)c1 24140717 SRGPFVAHAYSBHP-UHFFFAOYSA-N 482.569 5.253 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2ccncc2)cc1C 24477347 ZKGGUZKNFDPJJU-NRFANRHFSA-N 482.613 5.374 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1Cl 107647902 CWTCXKCYYLRTRN-NRFANRHFSA-N 487.968 5.296 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 109553839 ZIEDJNXDRQZYFC-UHFFFAOYSA-N 459.509 5.279 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc1 247657437 QHKIMPDQCXCQLI-UHFFFAOYSA-N 474.369 5.237 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1 254913216 ZCZSPZKDARYTIW-NRFANRHFSA-N 451.523 5.142 30 20 JKED Cc1nc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)sc1SCC#N 303075243 YQIOZFTVIZIKNP-UHFFFAOYSA-N 469.588 6.497 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)O[C@@H](C)C2 409824805 ASBYVAWTQBVBSJ-VFHOHQAYSA-N 482.580 5.796 30 20 JKED COc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC1CCCC1 487320033 KZKVSWYFSOZTNL-UHFFFAOYSA-N 472.610 6.111 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)nc21 495465671 QZGAPWAXCWOVCS-UHFFFAOYSA-N 464.982 5.082 30 20 JKED N#Cc1c(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)sc2c1CCCC2 499330308 YMSSNGHQTKKHHA-UHFFFAOYSA-N 457.481 5.228 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 501126843 FFXHTKMXJXFDDR-CQSZACIVSA-N 471.945 5.739 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 501168008 ZHQDJDTWRSUUFY-HHHXNRCGSA-N 455.533 5.075 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3SCc3cccs3)c2)cc1 501474549 HZQPYQJRUVYBES-UHFFFAOYSA-N 470.619 6.938 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](CN3CCCC3)c3ccccc3)c2)cc1 501828068 OZWWEYCNJYTOIZ-MHZLTWQESA-N 454.574 5.290 30 20 JKED CCc1ccc(OCc2nnc(SCC(=O)c3ccc(C#N)cc3)n2[C@@H](C)c2ccccc2)cc1 503740642 SIALOAKNSFMXHR-FQEVSTJZSA-N 482.609 5.875 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)CC1 507924736 ZTCXECZRVZEMJO-UHFFFAOYSA-N 476.552 5.180 30 20 JKED CCN(C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)[C@H](C)c1ccc(C#N)cc1 509578980 KRZAUIGIMVGKAR-GOSISDBHSA-N 490.401 5.725 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(OC(F)(F)F)cc3)c2)c1 511460495 ITDZQPKUMOWGII-UHFFFAOYSA-N 454.408 5.031 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cs2)cc1OC 514607790 MCZFBBNHJJMVHQ-CYBMUJFWSA-N 453.589 5.066 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 516711150 OEOYDILMTJEBLT-GOSISDBHSA-N 496.592 5.385 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 517518567 LTBOLLQBQZCTMK-GAJHUEQPSA-N 457.555 5.275 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1S[C@H](C)CC#N 518253019 OQGBOVMFSLOVGM-CQSZACIVSA-N 450.377 6.036 30 20 JKED Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)n12 519414701 RDPIKNNPFHMJJN-GOSISDBHSA-N 475.643 5.933 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 519515318 CDIDNTPRXFBNKL-TZIWHRDSSA-N 457.599 5.725 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)cc2)cc1 521365877 DVBVUGVATPZREC-SFHVURJKSA-N 475.936 5.282 30 20 JKED CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1OCC(=O)N(C)C 521811565 LRMPRSYNWIFZKA-DEOSSOPVSA-N 472.545 5.090 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 523132881 GNBMKGFWYWONLH-UHFFFAOYSA-N 499.634 5.012 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccnc3S[C@@H](C)C(=O)N3CCCC3)n2)cc1 523959288 OKQLUYFHIROFHG-PXNSSMCTSA-N 476.627 5.107 30 20 JKED Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)n1 524384614 JSPRHDQFPCDDHR-UHFFFAOYSA-N 456.527 5.541 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(-c2ccc(C(F)(F)F)cc2)no1 524614231 ZUDJKFBCXFFJTP-CQSZACIVSA-N 492.548 5.879 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1Cl 553214329 OFOQGDYFDXLSKF-NRFANRHFSA-N 466.372 5.398 30 20 JKED C=CCOc1ccccc1CN(C(=O)CSc1nc2nc(C)ccc2o1)c1ccc2c(c1)OCO2 567482720 AFPNLEXKQOERLL-UHFFFAOYSA-N 489.553 5.150 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)cc1 594666752 RUIIGYCVSMRAKJ-MXYFDVTLSA-N 493.676 5.833 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3CS(=O)(=O)c3ccccc3)n2)cc1 595869754 OMEWNRWQBQPMDA-HSZRJFAPSA-N 472.591 5.583 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 603740212 WFBBUQAEBHTNPJ-UHFFFAOYSA-N 484.559 6.759 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838772 KMDFSUGXZRIWJN-KRWDZBQOSA-N 484.324 5.701 30 20 JKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 604003167 HBVJPFWJZLPTHS-UHFFFAOYSA-N 451.530 5.052 30 20 JKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604147233 SAAIOXKKJICOIB-JOCHJYFZSA-N 473.985 5.807 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 604396924 UHACCRCUKWRDBO-VGSWGCGISA-N 499.011 5.165 30 20 JKED C[C@@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)NC(=O)C1CCCCC1 608937815 LFNOTMINODGCFF-AWEZNQCLSA-N 478.540 5.038 30 20 JKED CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1 609382309 ABDUZDBQWFLCTB-SFHVURJKSA-N 495.626 5.390 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 609434144 XURUOAJYAKEQRK-IBGZPJMESA-N 497.534 5.033 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cc2)c1 609434184 BMDLXTWQLWBJER-LJQANCHMSA-N 454.555 6.372 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 613319815 LFTGGUAGZDTEIY-QGZVFWFLSA-N 463.971 6.267 30 20 JKED N#C[C@H](C(=O)c1csc(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344844 RDRKGJCGTHTRSB-LLVKDONJSA-N 458.189 6.431 30 20 JKED CCCCCn1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc2c1=O 613404979 SAENFVUBHCLNRQ-KRWDZBQOSA-N 484.503 5.705 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)nnc1-c1ccoc1C 613908628 WIRYGHDXVMNEKC-XMMPIXPASA-N 470.598 5.299 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)sc2nc(C(F)(F)F)ccc12 614388199 QWZBPSYFLXBBKA-NSHDSACASA-N 485.434 6.742 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c2ccc(Br)cc2n1 614388324 VKDMYXSJTHZEGS-OAHLLOKOSA-N 455.262 5.541 30 20 JKED Cc1ccc(Cc2cnc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)cc1F 618539070 UKQMIPXPUPFKCI-BETUJISGSA-N 469.426 5.776 30 20 JKED CC(C)(C)c1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n(-c2ccc(F)cc2)n1 618541767 ITIPPRNXQBGCAO-BETUJISGSA-N 480.428 5.904 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)cc1 725722731 VRYSQSTVZPWASJ-UHFFFAOYSA-N 471.444 5.596 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@H](C)c1ccc(Cl)cc1Cl 726400017 YIQMNUMBNSTGMV-MAZUFOBJSA-N 498.407 5.169 30 20 JKED Cc1ccc(-c2csc3nc(/C(Cl)=C\c4cccc(OCCCC#N)c4)nc(O)c23)cc1 726742674 VKGFHNKAUQKCHD-KGENOOAVSA-N 461.974 6.792 30 20 JKED N#CCSc1ccccc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 726785273 GLSOGMQRIULXKY-VWLOTQADSA-N 462.018 5.503 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CC[C@@H](C)OC)cc1Cl 726889775 HDRSWSNAVVAIFW-IERDGZPVSA-N 490.025 5.042 30 20 JKED CC(C)N1C/C(=C/c2ccc(O[C@@H](C)C#N)cc2)C(=O)/C(=C\c2ccc(O[C@H](C)C#N)cc2)C1 728694705 GLAQIDOQJLMDPD-MLGLAFPPSA-N 455.558 5.028 30 20 JKED N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 728764688 DKRBHKFMBRZZKA-HZPDHXFCSA-N 469.315 7.029 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O 730719187 BFDOQRLDFBJVQK-LJQANCHMSA-N 489.384 5.450 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(Cl)c2)o1 730720406 QJQWMSIFNQHBFG-WNYOCNMUSA-N 495.992 5.007 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccc(F)c2)C1=O)Nc1cccc(O)c1 731306147 SBNYDEOAIZXCOX-NRFANRHFSA-N 483.952 5.345 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C(C)C)c2)n1 731311872 FZUUACWUWJZGMM-XMMPIXPASA-N 488.613 5.380 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 731318782 KORLVWPZMVEZAR-XKZIYDEJSA-N 490.947 6.117 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 744605097 QYEQZAUOGANWNC-JTQLQIEISA-N 492.409 5.723 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccc2C(F)(F)F)C1=O 745584651 PVGPJIIXZYKPLG-FQEVSTJZSA-N 471.504 5.126 30 20 JKED C[C@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1 747198776 NGEFYYNMICXMQU-KNOQIOAQSA-N 464.613 5.799 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CNC(C)(C)c2ccc(Cl)c(Cl)c2)c1=S 747791632 LLRWQBSHYOEDBV-UHFFFAOYSA-N 463.434 6.065 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 747803076 HKJVLLLLYGYRSM-FYYLOGMGSA-N 469.054 5.978 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 749331939 DUXHFBCFHVCDMT-AREMUKBSSA-N 463.541 5.096 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ncc(Cl)cc2Cl)ccc1Cl 787492849 ZXYOLVIHBWMOIS-UHFFFAOYSA-N 496.803 5.675 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837470265 HRKJTWSHLAOSKQ-HXOBKFHXSA-N 494.567 5.698 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837915398 SCWCBNNWBRKOHN-JPYJTQIMSA-N 458.587 5.366 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1[C@H](C)c1cccnc1 838196864 CEEHCQMIRGQHLD-HOYKHHGWSA-N 488.613 5.374 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(OC[C@@H]3CCCO3)cc2)c1 839407664 YFWSLCDYWLHOLG-NRFANRHFSA-N 466.607 5.018 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915100021 KJGTXDQQYSVXNY-FPOVZHCZSA-N 479.989 5.262 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1 915464185 QHSNOOLTEIDJKI-UHFFFAOYSA-N 455.333 5.039 30 20 JKED N#CC(CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)(c1ccccc1)c1ccccc1 915569618 ZVYIHRHNTVGWBH-JOCHJYFZSA-N 485.559 5.513 30 20 JKED O=C1CCc2cc(C(=O)/C=C/c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)ccc2N1 915993336 NUKZWHIIMMRSGS-ONNFQVAWSA-N 465.336 6.027 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 916204598 BCAXAZYNMZIMPX-LJQANCHMSA-N 497.514 5.231 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCCC2)C1=O 916205895 USIFQAFUQGLBIF-HXUWFJFHSA-N 475.973 5.391 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(Cl)cc1 916210311 ALUVNNMZPCADHZ-HXUWFJFHSA-N 475.998 5.118 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C[C@H]1CCCO1 916215211 FKDHOSKGXKBCMH-UZLBHIALSA-N 491.535 5.153 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccccn2)C1=O 916216502 VQJIKMDXNZEYJD-XMMPIXPASA-N 488.613 5.339 30 20 JKED Cc1ccc(Cn2nc(C)c(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)c2C)cc1 916310385 ZJSNIRNARNCTTB-UHFFFAOYSA-N 467.598 5.486 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccccc3Br)o2)cc1 916349899 XZKKEKSTNOPGBP-UHFFFAOYSA-N 470.308 5.047 30 20 JKED COc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1NC(=O)OC(C)(C)C 916430997 ARUCLDRSVNPIEN-UHFFFAOYSA-N 473.529 5.745 30 20 JKED N#C[C@@H](C(=O)CCCOc1cccc(Br)c1)c1nc(O)c2c3c(sc2n1)CCCC3 916654323 XWAKOGKVXUCVAJ-INIZCTEOSA-N 486.391 5.074 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916927880 DIWIZJDEHGDRPF-LJQANCHMSA-N 473.743 6.187 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2cccc(Cl)c2)n1 916928785 UFYLDSHOXNLXKO-ZDUSSCGKSA-N 450.734 5.731 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)c1cccc(C(F)(F)F)c1 916980801 FJOPHBNLNBAMRX-SFHVURJKSA-N 469.916 5.541 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(F)c(F)c1)[n+]1ccc(Cc2ccccc2)cc1 917613732 RIDODEQGYZQYAB-UHFFFAOYSA-O 484.551 6.038 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccccc3Oc3ccccc3)C2=O)ccc1OCC#N 917645419 YYYSGYQWUVGCLW-KQWNVCNZSA-N 474.563 5.796 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(CC2CC2)CC1 917658850 TZFQAHCKBRGZBH-DEOSSOPVSA-N 490.673 5.138 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)cc1OC 917663001 JXJRZULAURANSV-OAQYLSRUSA-N 499.589 5.065 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c1 917677879 ZGAKFGKDUURYQT-YZUZCNPQSA-N 494.636 5.030 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1cccc(C)n1 917694280 FDCGTSLNDDFLCQ-DEOSSOPVSA-N 488.613 5.176 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 917698885 LFSPYCWZPCROBM-QFIPXVFZSA-N 483.540 5.115 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C#N 917701680 AIXRVWZCZWTROY-LJQANCHMSA-N 474.508 5.337 30 20 JKED Cc1ccc(-c2noc(CCC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)n2)cc1F 918486973 HNRNUUQUSMFPKN-FQEVSTJZSA-N 484.487 5.257 30 20 JKED C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1 920108676 XSQRDKFBALMMBX-YVEFUNNKSA-N 456.436 5.861 30 20 JKED O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NN=Cc1csc(-c2ccsc2)n1 920355421 AKBPGLSMAIFOHY-UHFFFAOYSA-N 485.572 5.027 30 20 JKED N#CCCN(C(=O)COC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1cccc(Cl)c1 920676401 DUWDSFXEQICTJG-UHFFFAOYSA-N 480.398 5.211 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1nc(-c2c(F)cccc2F)cs1 920807078 XKHYNKHWTITEAF-LBPRGKRZSA-N 486.550 5.278 30 20 JKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 920892257 KFHMCAMEBIDCTF-NQIIRXRSSA-N 472.589 5.778 30 20 JKED COc1cccc(NC(=O)/C(=C\c2cc(OC)c(O)cc2Br)C(=O)c2ccccc2)c1 921261485 KTUBXDIXVBCCLJ-ODLFYWEKSA-N 482.330 5.077 30 20 JKED COc1ccc2c(CC(=O)Nc3ccc(C4(NC(=O)c5cc(C)cc(C#N)c5)CCC4)cc3)c[nH]c2c1 1786171375 LAGNHCJZIDAQLB-UHFFFAOYSA-N 492.579 5.347 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)cc3)CCC2)cc1 1786371936 QQXBIZBDMMJADL-LJQANCHMSA-N 473.548 5.227 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](S)C(C)C)cc3)CCC2)c(Cl)c1OC 1786389850 QYWNJCXNVPFHIA-NRFANRHFSA-N 477.026 5.059 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](S)C(C)C)cc3)CCC2)cc1OCC1CC1 1786395329 ZQQZLSQJDSTPIP-DEOSSOPVSA-N 482.646 5.186 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C)o3)cc2)CCC1)c1ccc(O)cc1 1786493006 RTGVZHQNRULLIM-NRFANRHFSA-N 456.542 5.239 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)cc1Cl 1788029683 ZSNGVVHUMDLFQV-UHFFFAOYSA-N 497.039 5.157 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CNc5ccccc54)cc3)CCC2)c(Cl)c1 1788047559 ULGZBXVKAWXJJZ-QFIPXVFZSA-N 470.960 5.169 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C)nn3CC)cc2)CCC1)c1ccccc1 1788424663 ZFGVXLSNXHCCGV-RUZDIDTESA-N 468.601 5.156 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5ncccc45)cc3)CCC2)cc1C#N 1788953281 IWZLJXBNSGXKRT-UHFFFAOYSA-N 493.567 5.283 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cn5ccc(Cl)cc5n4)cc3)CCC2)c1 1789102252 LXZSQPDVGCXBKH-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)cc2)CCC1 1790516928 QBWCRDWATIEKOK-UHFFFAOYSA-N 487.600 5.677 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc(Br)c3F)cc2)CCC1 1790630313 VXZCJBORJVKNHT-UHFFFAOYSA-N 477.399 5.255 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)ccn1 1790784914 ARZYHVUELCOIGB-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)cc2)CCC1 1791480551 HTGQAUBKUWIHGN-KPOBHBOGSA-N 473.436 5.005 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccnn4C)c(Cl)s3)CCC2)cc1 1791587331 OIMGUTLOPKPBAU-UHFFFAOYSA-N 454.983 5.126 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1791835337 PKDHHPDAKNMXCD-LJQANCHMSA-N 470.598 5.076 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)OCCO5)CCC3)cc2)c1 1792123722 PKOLSZQEDBHAAX-LJQANCHMSA-N 481.552 5.146 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc(C)n1 1792123785 QOGDLMOYTIIAKX-LJQANCHMSA-N 466.585 5.641 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H](C)c4ccccc4)cc3)CCC2)c(C#N)c1 1792313526 ZUCXJHUSEXWHEN-FQEVSTJZSA-N 467.569 5.047 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1)C(F)(F)F 1793211351 VQKUVGYMJWFFMB-SQUOGFPLSA-N 468.947 5.371 30 20 JKED CCCC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cc1C 1798420439 HRMNBWIZAMIHTM-BKFWDETESA-N 495.740 5.037 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1C(F)(F)F 1799648260 RNJZZSIZDNKJEB-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1802504562 ZHVDOEGHYCIKPB-ILBGXUMGSA-N 486.616 5.357 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1802743065 UARXVENSLTVKHK-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1803079882 QIAPMNBHQLDUEN-GRYUFTJMSA-N 463.647 5.037 30 20 JKED CC(C)c1ccc(C(=O)N2CCC3(CCCN(C(=O)CCc4cccc(C#N)c4)C3)CC2)cc1 1805328887 BMITZGKMMDRWGA-UHFFFAOYSA-N 457.618 5.159 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C1)c1ccc(Cl)cc1 1805635619 BGTJMHAZAVQTJT-MHZLTWQESA-N 492.063 5.425 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2C)[C@@H]1c1cccnc1 1807842174 GBWBXAGPXBXUEC-MIHVYDCKSA-N 494.639 5.540 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1808740068 IOTUVDRMORGTSF-NAKRPHOHSA-N 480.612 5.232 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3cnccc3c2)[C@@H]1c1cccnc1 1809261949 DJKGMQYGUCBITG-IAPPQJPRSA-N 498.703 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1810173799 QQPXFHAPSYTILR-YZUZCNPQSA-N 474.630 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1810505356 RREHTDCWEDTMOB-YKSBVNFPSA-N 480.008 5.793 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@H]3CCN(C(=O)CC#N)[C@@H]3c3cccnc3)cc2)cc1 1810602729 WWIJWUQGURERTM-XRKRLSELSA-N 480.612 5.324 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1811695945 WOKITHDIUPAAFQ-CUNXSJBXSA-N 471.626 5.270 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811722370 QTMKHHJSAAVVIC-YPZXTKLSSA-N 495.623 5.962 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)CC1 1811730368 TYCZKTCFWSKOMS-NVQXNPDNSA-N 476.596 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811873420 MVERFHIWLFPPPE-NFBKMPQASA-N 498.549 5.284 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@H]1c1cccnc1 1812787491 MVRIDTTYQQMUSB-OPBMBUAESA-N 453.671 5.686 30 20 JKED Cc1cc(C)cc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1813244825 NHLXWDBFKGNADS-ACHDSSIZSA-N 494.639 5.278 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C)ccc3NC(=O)OC(C)(C)C)[nH]n2)C1 1814397504 LYSAPBWHGQOJER-JOCHJYFZSA-N 493.608 5.337 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(Br)cc4)CCC3)[nH]n2)C1 1814398785 RRPNSONSMXMWJV-NRFANRHFSA-N 497.437 5.252 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1814569436 KDZMAQUAHCXEAN-OAHLLOKOSA-N 455.971 5.133 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1815655762 ZARDUPQUUILNBT-IBGZPJMESA-N 479.631 5.102 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1)C(F)(F)F 1816464557 IZIBRYYXQJPHPY-MRXNPFEDSA-N 452.477 5.033 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1)C(F)(F)F 1817756454 ZAGWHTAVEKTQAO-QGZVFWFLSA-N 493.873 5.143 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932879 ZSSLXPNCUTWAFE-KRWDZBQOSA-N 471.533 5.051 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820080331 UKJDEFCVGLDOTJ-SANMLTNESA-N 493.611 5.829 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(F)c(F)c3)CC2)n[nH]1 1820688601 JTWHBAYELNMMDC-PGRDOPGGSA-N 468.548 5.180 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1Cl 1821027475 MPSCCZUBEBGOFS-JOCHJYFZSA-N 491.979 5.342 30 20 JKED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821174605 ZYMWJCKQZUDYID-INIZCTEOSA-N 492.626 5.029 30 20 JKED CSc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1822596061 LUKHAPSCIMUAHU-KOSHJBKYSA-N 487.629 5.307 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1)c1ccc(O)cc1 1822979832 COZBQSCBOPNLSA-YBZFOXLFSA-N 474.605 5.051 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2SCC)CC1 1823749627 QDGWZMTWCPAXNL-QFIPXVFZSA-N 457.684 5.419 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3F)CC2)cc1C#N 1824729839 SYLKTWUOOBYOEM-QFIPXVFZSA-N 483.609 5.093 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824876576 SSNWXHMSTHBJCD-IBGZPJMESA-N 496.467 5.810 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)CC2)c1 1826479265 QRGJJJJJFWYSKS-RUZDIDTESA-N 497.561 5.362 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)c2ccccc12 1826688830 QSRWGLVXKCPXRF-SANMLTNESA-N 457.618 5.004 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)cc1 1826780405 GISJWEJAFDVJHG-AMEOFWRWSA-N 496.655 5.170 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)c(F)c3)CC2)C1 1827357312 YRAHEDOFHXUZMK-RUZDIDTESA-N 479.571 5.226 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)cc12 1827412221 QMTYLAGEZHHMMS-QFIPXVFZSA-N 492.670 5.014 30 20 JKED Cc1c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc([C@H](C)C#N)c4)sc3C2)oc2ccccc12 1827696465 CMKCYJFICOLNOJ-BEFAXECRSA-N 484.581 5.364 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827775844 DIIAVEDGUYWWAV-FQEVSTJZSA-N 452.517 5.300 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)ccc2n1 1828233304 COIBCKBGUFHMLU-ONOMSOESSA-N 494.639 5.717 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828498388 VBEZBEPLUCDFST-DFBJGRDBSA-N 499.055 5.231 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828498391 VBEZBEPLUCDFST-UQBPGWFLSA-N 499.055 5.231 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1 1828827315 KWWSVXYHSJZXMG-XZOQPEGZSA-N 460.565 5.290 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1828827825 VWXRTHOCKBGXOA-URXFXBBRSA-N 473.608 5.033 30 20 JKED COc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1C 1828906940 QSFPDKLXUCUAGM-SANMLTNESA-N 496.768 5.217 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2F)CC1 1828907025 SMENXKCNGODZHD-XMMPIXPASA-N 474.668 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(OC)c23)CC1 1829068655 JKMFGZQCSQLGPV-QHCPKHFHSA-N 465.638 5.402 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1Cl 1829690123 LOZZUAMUJLXGQF-VWLOTQADSA-N 487.003 5.307 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCCC)cc2)CC1 1830104209 MVCPCETZGWHVFC-UIOOFZCWSA-N 452.639 5.477 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)C(F)(F)F 1830579258 ZOITWQGMKUHUKR-SFHVURJKSA-N 496.879 5.711 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1830628542 KYEHCDSKXJUQJV-DBQZHCBRSA-N 481.596 5.446 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830632334 HYMKWSQEUOEXRP-XMMPIXPASA-N 483.534 5.319 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc4c3CCCO4)CC2)c(Cl)c1 1830721293 FZPCWGWPOWLYCQ-QHCPKHFHSA-N 498.048 5.145 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1831014951 ADNUXLRGVJTVQV-QFIPXVFZSA-N 485.072 5.522 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831240186 VIPSGFUPCIFFEU-FDDCHVKYSA-N 496.479 5.347 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1831371103 RGRWWYCKYDKAIU-XMSQKQJNSA-N 487.019 5.110 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1831444184 KQHXHMCDBQDCLK-DEOSSOPVSA-N 485.575 5.135 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831746667 GJDKYIKHHLKTPA-XMMPIXPASA-N 474.736 5.157 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1831852934 FHVAXOPVKBJMOH-NRFANRHFSA-N 468.947 5.396 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832031342 LXRTVIZRIABJGL-QFIPXVFZSA-N 467.412 5.559 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3nccc4occc34)CC2)c1 1832631133 REPJVWGSSPYQLE-NTKDMRAZSA-N 470.573 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cccnc34)CC2)c1 1832632385 ONEDFMCSCIFVDO-IDISGSTGSA-N 480.612 5.409 30 20 JKED COc1cc(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633326 GQDYVHUMDYFLSZ-KDYSTLNUSA-N 473.617 5.178 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1832635497 HZBZTNMCAQLJGX-NPZBNXROSA-N 476.646 5.025 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1832827581 OVWSKZLHFWHOLU-JOCHJYFZSA-N 452.982 5.247 30 20 JKED C=CCn1c(SCc2cc(=O)n3c(C)csc3n2)nc2scc(-c3ccc(C)cc3)c2c1=O 8649357 RCPJESHDBMNUDR-UHFFFAOYSA-N 492.651 5.290 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 9447980 FYGVPAGRHYLMPT-FQEVSTJZSA-N 454.599 5.518 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c(C)s1 11265186 UECURMBGVQALHN-UHFFFAOYSA-O 452.669 5.893 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)c3c(-c4ccccc4)[nH]c4ccccc34)cnc21 12516124 WAUXSSQQQFCABT-UHFFFAOYSA-N 458.568 5.206 30 20 JKED CC(C)n1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nc2cc(Cl)ccc2c1=O 16798216 UEFVOZPNICSJPB-LBPRGKRZSA-N 461.374 5.275 30 20 JKED CCCCCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1c[nH]c2ccccc12 21458926 YHEIWZMUZQSIED-GOSISDBHSA-N 472.618 5.998 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccoc1C 21465211 ZOQRBXCQMASPNO-ZDUSSCGKSA-N 487.557 5.554 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1[C@H]1COc2ccccc2O1 23517654 YJMRVWUMZMQUQG-FOIQADDNSA-N 470.982 5.058 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@H]1c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC 24099141 IENWDPSNZGEQQU-HHHXNRCGSA-N 466.541 5.309 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1 24777513 JGEFIMJQNRKFIG-UHFFFAOYSA-N 453.999 5.274 30 20 JKED C=CCn1c(C)nnc1SCC(=O)N(Cc1ccccc1)c1nc2c(C)c(C)ccc2s1 27128314 GVTGYFMCKAVNJM-UHFFFAOYSA-N 463.632 5.325 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 28485972 HDTLFBZXSUSENR-UHFFFAOYSA-N 490.412 5.781 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2sc(C)c(C)c2c1=O 28682020 IBLUKOLWFYGMEB-LBPRGKRZSA-N 451.976 5.173 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)c3ccc(C#N)cc3)c([N+](=O)[O-])c2)c(C)c1 29587403 RDJJSMXMWSSQFM-QGZVFWFLSA-N 450.520 5.057 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1-c1ccco1 32330524 QNJFZEDJEXKLBJ-QGZVFWFLSA-N 451.379 5.786 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nc2scc(-c3ccccc3)c2c1=O 43765731 MJIFUEGBNGOHHE-UHFFFAOYSA-N 472.595 5.962 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 46667713 CFAGALZGLDKVNE-UHFFFAOYSA-N 471.520 6.159 30 20 JKED COc1ccc([C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)c2c[nH]c3ccccc23)cc1 68711719 XLKLNMLPYXHKPA-VWLOTQADSA-N 491.547 5.782 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cnc(-c4ccccc4Cl)s3)nc2C)n[nH]c1=S 109617560 YZBGRRMWHPJDJK-UHFFFAOYSA-N 475.024 5.588 30 20 JKED Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)cc1 110441125 KWGBADQXHPFEDW-NRFANRHFSA-N 484.625 5.692 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccc(Cl)cc1 303288728 LZGGONSBRUJFAR-HNNXBMFYSA-N 472.039 5.601 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1[N+](=O)[O-])c1ccccn1 410048335 UHKOWZADTDXPGB-INIZCTEOSA-N 484.541 5.334 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 480410881 YXEUZVLFIFCPIB-NRFANRHFSA-N 457.486 5.457 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3cccc(Oc4ccccc4)c3)cc2F)c1 481131355 MZMJUXZXQZSKBK-UHFFFAOYSA-N 495.510 5.324 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1 490638935 MXFLPFZGKYPXDL-UHFFFAOYSA-N 479.584 5.221 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)c2)c1 498018461 PYWSKWXMIIEDEU-RUZDIDTESA-N 472.520 5.163 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3OCCc3ccccc3)CC2)c1 502679926 OHFUHRMIJBVBFF-UHFFFAOYSA-N 468.557 5.062 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 507906331 AYXUVLIITVGINT-UHFFFAOYSA-N 484.562 5.489 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc1 508246271 FICBAUKRUGBCAI-UHFFFAOYSA-N 473.533 5.211 30 20 JKED C[C@@H]1CCc2c(sc3nc(SC[C@@H](C#N)CCC#N)n(CCc4ccccc4)c(=O)c23)C1 508372118 WYHBHFVJCNLPRY-IEBWSBKVSA-N 462.644 5.361 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509685110 NABRPVKSLHNYJC-UHFFFAOYSA-N 455.543 5.224 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCNC(=O)c2ccccc2Cl)cc1Cl 510025432 DUDJWNZEPXOEFU-FQEVSTJZSA-N 467.356 5.200 30 20 JKED CSCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nnc2ccccn12 510541044 YCEIVMCHTDGUQB-QFIPXVFZSA-N 472.574 5.318 30 20 JKED Cc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cnn1-c1ccc(Br)cc1 510982041 SZPCULJCAVTWMU-UHFFFAOYSA-N 477.284 5.020 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 511755536 LOTNXTDQZGWULY-LJQANCHMSA-N 486.424 6.479 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 512118361 JXKROQXXMSWTHS-UHFFFAOYSA-N 491.345 5.280 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 514574986 QVZMMKFVINWTTD-VWNXMTODSA-N 466.368 5.855 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)cc1 514584970 KJZXMZJOSRRPEU-UPCLLVRISA-N 484.025 5.131 30 20 JKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F 515539302 MCMKHUHOBHUKTK-HXUWFJFHSA-N 467.479 5.833 30 20 JKED COc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 516307008 YJEFAGBMILSVSO-UHFFFAOYSA-N 465.509 5.076 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCC1 518675943 XRQDSSLRZDCHSI-HXUWFJFHSA-N 461.509 5.307 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2nc3ccccc3[nH]2)nnc1-c1ccc(Cl)cc1Cl 518795419 QFFWKRPSVKKQAQ-UHFFFAOYSA-N 487.416 5.065 30 20 JKED COc1ccc(C)cc1C1(CNCc2cccc(OCc3ccccc3C#N)c2)CCOCC1 520961161 BKOGZSRWGRDEAL-UHFFFAOYSA-N 456.586 5.292 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)c(C#N)c(C)c1C 520987960 MFNFOENNRKWACO-UHFFFAOYSA-N 487.412 5.126 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 521683181 VKLPQEWFHPCMOF-OYRHEFFESA-N 479.621 5.370 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 521805145 WLPWXSVDWQHLQV-JKSUJKDBSA-N 464.616 5.329 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CCOCC2)cc1 521809371 DFRDUSKGRPFXFZ-UHFFFAOYSA-N 457.530 5.229 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)c2cccs2)cc1 522449689 JNRFUQLKTXZDLR-FQEVSTJZSA-N 463.559 5.263 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 522487532 AINNJYQLTOVHQN-FQEVSTJZSA-N 493.972 5.304 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 522569184 GGURMVAMEKIHRF-SIKLNZKXSA-N 464.953 5.071 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 523937129 BPPPSAAKIWHYKG-AREMUKBSSA-N 451.574 5.402 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 524166962 FJQUDLMVKBRSMQ-UHFFFAOYSA-N 496.489 5.510 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1 524386636 MLWYPIHEIYSDMK-UHFFFAOYSA-N 469.472 5.303 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 524421238 JWTQFUBPXGUZDD-QHCPKHFHSA-N 468.557 5.328 30 20 JKED CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 524458908 MQRSNERNILKPAY-UHFFFAOYSA-N 450.922 5.458 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 524565716 FJKLAZAGVARAHM-RTBURBONSA-N 490.604 6.141 30 20 JKED Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 550723746 SQVCTIJNGQMFPL-HSZRJFAPSA-N 476.964 5.323 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 553665192 OLUDQFZNLAPFRR-QGZVFWFLSA-N 464.557 5.695 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 589698933 AQONDMUFLBDPFH-JOCHJYFZSA-N 496.036 5.641 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)CC1 603683100 DGCWNBFODGROQE-UHFFFAOYSA-N 497.477 5.167 30 20 JKED N#Cc1c(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)sc2c1-c1ccccc1CC2 603992251 MPQWXVACIQTKSV-UHFFFAOYSA-N 484.602 5.612 30 20 JKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)CSCc1ccc(C#N)cc1 608872252 LNJKVMFVOHJOOG-VWLOTQADSA-N 455.583 5.087 30 20 JKED Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1cccc(OCCCC#N)c1 609052504 OKEWBJHZPIGRRH-LTGZKZEYSA-N 453.567 6.060 30 20 JKED CCn1c(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)nnc1-c1cccc(C)c1 609064803 IODXFHPNUHJAHY-UHFFFAOYSA-N 483.597 5.455 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609073718 UUCNYDYPRYTROY-CCLHPLFOSA-N 467.569 5.075 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 609077639 INVJAMDUUZHTIN-UHFFFAOYSA-N 465.340 5.581 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 609079030 XVWYKIXUGSGZQO-UHFFFAOYSA-N 476.964 5.640 30 20 JKED COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609081085 ZQZBSCNCIXGQQH-XMMPIXPASA-N 461.949 6.168 30 20 JKED CC(C)(C)c1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n(-c2ccccn2)n1 609190537 XZAIRNICWUMERS-UHFFFAOYSA-N 451.530 5.268 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 609207008 MJSQYFADSQJOKQ-OAQYLSRUSA-N 473.508 5.226 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)n2)cc1 613314293 JCBIZEANYAFLTE-NRFANRHFSA-N 463.566 5.866 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)nnc1-c1ccco1 614012633 QDLDFAKIGUTKLX-JOCHJYFZSA-N 464.978 5.375 30 20 JKED CC(=O)Nc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 618540427 PYLAKPCOEKOVHS-AOOOYVTPSA-N 465.316 5.258 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1cccc(COC(C)(C)C)c1 726106771 UDGBAODXJWBHDQ-HSZRJFAPSA-N 479.646 5.111 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 726394530 VJDMLBRUJGUFID-HOYKHHGWSA-N 486.597 5.097 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(C)C)C2=O)c([N+](=O)[O-])c1 726405648 FXUHRQVFSDLHGH-HXUWFJFHSA-N 499.980 5.045 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C#N)c(Cl)c1 726408006 WMNCVBJJHKLEKN-QGZVFWFLSA-N 493.803 5.665 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CC3)C2=O)c1 726414383 ADGXSDWVINNFOB-QFIPXVFZSA-N 451.592 5.213 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2ccc(OC3CCCC3)cc2)C1=O 726414692 DJIWLBBDFFGTPC-DEOSSOPVSA-N 495.645 5.063 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@@H](C)c1cccs1 726423333 YYNFBFIZDJAMOV-RBVBJEGPSA-N 455.527 5.177 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)c1 726572602 DGLJGOCSGJQFGK-UHFFFAOYSA-O 453.631 6.065 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C\c3ccc(OCc4c(C)noc4C)c(OC)c3)SC2=S)c1 726627764 VBIPDFRNQPTEQE-YDZHTSKRSA-N 476.579 5.266 30 20 JKED N#CCCCOc1cccc(/C=C2/CCOc3ccc(I)cc3C2=O)c1 726744194 WKFCMABUHOWACG-VBKFSLOCSA-N 459.283 5.023 30 20 JKED Cc1cc(C(=O)Nc2ncccc2OCCCC#N)c(C)n1-c1ccc(Br)cc1 726958274 UJJKCSCLWFSVQM-UHFFFAOYSA-N 453.340 5.187 30 20 JKED N#CCOc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1 727844960 WYIYLSNRIGWNLA-JOCHJYFZSA-N 468.326 5.079 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 728110817 UZYLHDONFWCMRG-INIZCTEOSA-N 489.553 5.116 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1 728680603 SSKRCOOBUVZRCZ-UHFFFAOYSA-N 492.409 5.842 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ncccc3C)C2=O)cc1 729634766 SQSPOTKYEJQOPG-QHCPKHFHSA-N 458.587 5.167 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1 730688574 ZQMVOPHVXQYMBF-DNVCBOLYSA-N 453.514 5.647 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)n1 730692409 XTPDMCQCVVBUBI-YWZLYKJASA-N 458.898 5.109 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 730945566 UOXBSMQUYOARAN-XDHUDOTRSA-N 488.588 5.431 30 20 JKED 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CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1802957493 AGVRSXXGQZVDQF-SEGPTPNXSA-N 486.660 5.054 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CCCc3ccc(C(F)(F)F)cc3)[C@H]2c2cccnc2)C1 1803491358 OHORQBOVPAUQEP-PXDATVDWSA-N 485.550 5.095 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c4ccccc4n4ccsc24)C3)c1 1803681292 NROYWQMDNJCCQB-HLRQEUIKSA-N 482.609 5.347 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(OC)cc3)CCC2)[C@H]1c1cccnc1 1808238435 SPSZHEJZYGMVEU-JYFHCDHNSA-N 489.660 5.210 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810107962 PBIHOKKVMVPCIS-UZKOGDIHSA-N 471.692 5.322 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1810183815 YCKMYXPDBRSVMB-RQNQAMLKSA-N 489.019 5.371 30 20 JKED Cc1ccc(S/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)[C@@H]2c2cccnc2)cc1 1810243332 FCUXROZXRHYLOW-MXQUXIMNSA-N 496.636 5.196 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1ccccc1 1810445105 YCIAREJHARUOAR-URORMMCBSA-N 486.015 5.252 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2OC)[C@H]1c1cccnc1 1810503103 NJOXHQCPDDZOMT-KNQAVFIVSA-N 470.013 5.056 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810601632 HVVVVXGUVUYVCM-GJZUVCINSA-N 482.024 5.035 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)[nH]c12 1811420716 WFYUYRZXIAZVCP-LVXARBLLSA-N 497.986 5.030 30 20 JKED N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCC3CCCC3)[C@@H]2c2cccnc2)cc(C(F)(F)F)c1 1811867832 BXTLDQZHQCUBCL-PXDATVDWSA-N 498.549 5.262 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1812673363 SQIPDOUFWSLYEP-KNQAVFIVSA-N 491.966 5.053 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1)C(F)(F)F 1812683509 PHSSSYBXXFPVNT-MBSDFSHPSA-N 493.485 5.419 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1813826608 SZFFXPPKJGVRJS-IMSXRSKXSA-N 451.998 5.131 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Br)c(Cl)cc3F)[nH]n2)C1 1814397884 YYSMGULMBWFARA-SFHVURJKSA-N 495.780 5.237 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(F)ccc2Br)n[nH]1 1815071730 KWLUPLDLVGUSGE-FOIQADDNSA-N 491.405 5.148 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccs3)n[nH]2)c1 1815994104 CYTZPLSCFPSRKL-VGSWGCGISA-N 461.591 5.037 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)CCCc2ccccc2F)[nH]n1 1818114025 DHGUOSLSWYNYDK-QZMUEMGWSA-N 494.592 5.064 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)[nH]n1 1819305762 OMUJDZJVGBOVKZ-NZQKXSOJSA-N 489.576 5.148 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1 1819386195 BKGYYFBFUUQTQL-YADARESESA-N 476.644 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)[nH]n1 1819555389 DNSDDRUUYTWMRL-SFHVURJKSA-N 463.504 5.122 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)[nH]2)n[nH]1)c1ccccc1 1819634813 VVZYNEAMVJYMRM-GHTZIAJQSA-N 497.521 5.260 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820435276 FODHWOVJHBRXHB-JOCHJYFZSA-N 476.602 5.427 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)c1 1820525941 KGMCJNSBMYKJDK-QFIPXVFZSA-N 495.505 5.239 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)c1 1820589405 HVMQWJBTBKDLGP-AOMKIAJQSA-N 495.505 5.675 30 20 JKED CC(C)=CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1820804498 PGCMTDZPLZQLNI-FQEVSTJZSA-N 484.398 5.096 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821070390 HKJJTVFLFBSKQZ-LJQANCHMSA-N 491.817 5.325 30 20 JKED CCOc1c(F)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1Cl 1821212792 JCIICQJTGPVAER-NRFANRHFSA-N 495.942 5.092 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821610364 SRIIRNOPMMEMTQ-HSZRJFAPSA-N 486.572 5.598 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)n[nH]1 1821868570 DBKKDMNPUNNIKS-AVRDEDQJSA-N 485.028 5.016 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1821924253 YYWSRIZTGUKLMI-FPOVZHCZSA-N 474.646 5.296 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)[nH]n1 1822389948 VAPVLOQVANINAI-GOSISDBHSA-N 497.810 5.245 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)CC1 1823667047 UVPJIZLQNOCSCE-NOZRDPDXSA-N 461.606 5.343 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(Br)c2)CC1 1823753873 LYKMVYWGAWHJQG-FQEVSTJZSA-N 476.459 5.070 30 20 JKED Cc1cc(Cl)c(Br)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C#N)CC1 1823885328 PRBLJYVUWSHKQF-HXUWFJFHSA-N 494.861 5.194 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)ccc2F)CC1 1823931453 BUXQCLYGMVDOBI-IIBYNOLFSA-N 465.407 5.034 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)ccc2Cl)CC1 1824146528 ZRZHIRQKIOTLJI-DEOSSOPVSA-N 459.030 5.350 30 20 JKED Cc1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1824678627 KSQASHRGXBNOEE-HXUWFJFHSA-N 456.011 5.129 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)CC1 1825995958 BNKNHIBZSIRALH-NRFANRHFSA-N 463.544 5.102 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)CC1 1826682937 OZSWHSXMTCIKSU-LJQANCHMSA-N 456.011 5.092 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2N)CC1)c1ccccc1 1826956763 KUVXYRMCNBMMKV-JRTMWMOUSA-N 483.656 5.099 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cnccc4c3)CC2)c1Cl 1828203798 AIDSMISRBKHHDP-RUZDIDTESA-N 487.003 5.307 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(OC)c2)CC1 1828830126 LOTFHYYFJDZIHX-PYTLXRGNSA-N 450.623 5.097 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1828830135 LRZBPFFRHIWTQA-ZEQRLZLVSA-N 476.583 5.636 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1828885732 PUEHDYSVMVOXCL-XNMGPUDCSA-N 490.644 5.285 30 20 JKED O=C(c1sc2ccccc2c1Cl)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828997441 DTMWSWHAKOZGQU-NDPRVOFDSA-N 498.048 5.500 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c(Cl)c1 1829446370 IWKKJKNYIOBSGT-FQEVSTJZSA-N 476.429 5.474 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1829661631 KSJKIDGYDOKBMY-AREMUKBSSA-N 481.656 5.428 30 20 JKED CCCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(OC)c3)CC2)cc1 1829676573 MFGZTGWDHDSQJN-HHHXNRCGSA-N 473.617 5.066 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1830158914 CUISOHDRNFTAKZ-GGXMVOPNSA-N 494.701 5.240 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1830415079 JYAIDSFXSHTHEM-PGRDOPGGSA-N 487.044 5.164 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536009 ZJBVNHGXGSKCDJ-ICSRJNTNSA-N 474.564 5.032 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830627548 ZPKDKKTUOAGCHJ-VSGBNLITSA-N 471.645 5.426 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830718466 JWFHJISYVCYEAX-SANMLTNESA-N 461.581 5.368 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cccs3)CC2)c(Cl)c1 1830721407 JOGKPFQIZDLMQT-WCYCAPIHSA-N 468.022 5.220 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1cccs1 1830724041 RIIIBVLMUHFPCX-VGSWGCGISA-N 470.038 5.310 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccn3c(C)cc(C)nc23)CC1 1831051890 KIHVIMVHCIZRCL-DEOSSOPVSA-N 464.654 5.177 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)CC1 1831238192 CLJFNJHOMSIMGQ-GXBVYBDKSA-N 491.720 5.504 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1)C(F)(F)F 1831451770 ZUJVMMVWOOBKCW-IBGZPJMESA-N 481.946 5.482 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1)C(F)(F)F 1831452137 VGWQHRMJAHNIKU-TWDDROGUSA-N 489.582 5.103 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1831508789 GFBWVKOPRGWCHR-IBVKSMDESA-N 478.036 5.639 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832628625 YXTPZJQUCZAFFU-CVDCTZTESA-N 479.646 5.321 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCCCCCC(=O)OC)CC1 1832932635 QRBIJJYAVXOIIC-RUZDIDTESA-N 474.686 5.094 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)CC1 1836697728 TVOWHQXWEMQGEK-UHFFFAOYSA-N 493.692 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1 1838423847 IHVUQMGKZDIQHJ-UHFFFAOYSA-N 480.571 5.310 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 10118311 DAPIKQHZELHKDK-UHFFFAOYSA-O 495.668 6.748 30 20 JKED N#Cc1c(NC(=O)CCN2CCc3sccc3[C@@H]2c2cccs2)sc2c1CCCC2 11455283 ZJYMRSHBPYJEBV-JOCHJYFZSA-N 453.658 5.598 30 20 JKED O=C(Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)c1ccc(Oc2ccc(F)cc2)cc1 16182419 KIBNUNKKAFKYCB-UHFFFAOYSA-N 481.549 5.121 30 20 JKED COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccc(CC#N)cc2)CCC(=O)N1c1ccc(C)cc1 17368429 GQRNLQSASARKRC-RPLLCQBOSA-N 453.542 5.193 30 20 JKED CCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 21670139 YNLFSVRTMINOAX-GOSISDBHSA-N 468.026 5.744 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 21723134 KBRFFLJDKCTXKA-AWEZNQCLSA-N 498.077 6.255 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22691875 YDVAEMSXXOGVRD-AREMUKBSSA-O 473.662 5.396 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 23497843 SMSJXOFTFPXKMG-UHFFFAOYSA-N 457.507 5.149 30 20 JKED C=CCn1c(SCc2csc(N(CC)C(C)=O)n2)nnc1-c1ccc(C(C)(C)C)cc1 23945618 JTIVERPWKAYMQC-UHFFFAOYSA-N 455.653 5.550 30 20 JKED CC(C)c1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)cs2)cc1 24156910 ZYRHJDONUUEKAH-IBGZPJMESA-N 461.587 5.355 30 20 JKED C=CCOc1c(Br)cc(CNCc2cc3c(cc2OCC)C[C@H](C)O3)cc1OC 26313947 BATOLKGJBTUXJT-HNNXBMFYSA-N 462.384 5.034 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 68805489 BDUDFFMVWFXFBD-UHFFFAOYSA-N 485.569 5.349 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(NC(=O)Nc2ccccc2)cc1 108131489 WQQUKUHLWHCIPX-LJQANCHMSA-N 480.524 5.865 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 303286955 LPLFSFPSCLYGDN-QGZVFWFLSA-N 481.647 6.026 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c3ccccc3)cc2F)c1 481160874 GORKUVMWFOJQBG-OAQYLSRUSA-N 485.437 5.025 30 20 JKED COc1ccc(I)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 483609034 AADXEJHSQNWCHN-UHFFFAOYSA-N 470.266 5.216 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nncc4ccccc34)c2C#N)C1 485170918 XLPYFQRZTAZBON-MRXNPFEDSA-N 450.633 5.835 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CSCc3coc(-c4ccccc4)n3)s2)cc1 491480214 PBMXFFSLRGYUBU-UHFFFAOYSA-N 479.612 5.229 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 501054163 BVIOAHMPCWRZLT-UHFFFAOYSA-N 469.737 5.211 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cnc2c(cnn2C(C)C)c1 504289333 LPLXSQYGLCBBOF-UHFFFAOYSA-N 454.987 5.314 30 20 JKED CC[C@@H](C)n1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1ccccc1 504323009 YWEKNQXDGNQZBU-GOSISDBHSA-N 468.026 5.917 30 20 JKED N#Cc1ccc(CSCC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 504776367 RBIYPAZURHQRDG-UHFFFAOYSA-N 452.583 5.020 30 20 JKED Cc1ccccc1CC(=O)N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 506650416 DQGJOICDJHPUTQ-RUZDIDTESA-N 487.003 5.223 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 508385548 WUKIGCKGLKNYRL-UHFFFAOYSA-N 452.518 5.509 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1Cl 510006825 UTEFDPDHIILIPK-XMMPIXPASA-N 490.966 5.515 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1Cl 510012327 YGMXZXQQECWPJW-AZGAKELHSA-N 492.982 5.330 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1 514967654 ANHXFWXECXPISW-UHFFFAOYSA-N 481.556 5.167 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5n4C(F)F)cc3)o2)cc1 515539204 OYPYHVJGCZXFAD-LJQANCHMSA-N 469.451 5.947 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1cc(Cl)ccc1Cl 517460924 GNWNOMOUDCBBMK-AWEZNQCLSA-N 455.432 6.138 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 517461596 YFPWINPYFCAUGC-INIZCTEOSA-N 459.409 5.388 30 20 JKED C=CCN(C(=O)NCc1ccccc1Oc1cccc(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518738163 SXBTYBVSOBKEKD-LJQANCHMSA-N 472.524 5.053 30 20 JKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1nc2ccccc2s1 518871914 VHBHDGSKLGOBRF-AWEZNQCLSA-N 474.382 5.669 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 520496801 KPHWHZQHYXXVFI-XMMPIXPASA-N 478.552 5.197 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 520944119 UDBFMMYVXCJVJR-NQIIRXRSSA-N 451.592 5.018 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 521247536 SAAAUIWYBLUHEM-QGZVFWFLSA-N 470.516 6.283 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 521733848 IMDTZMFUJOSJAT-OAQYLSRUSA-N 497.542 6.211 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccn2)cc1 521747461 VJADCRPFGNXFMD-SFHVURJKSA-N 462.575 5.846 30 20 JKED Cc1ccc(-c2noc(CN3CCN(C(=O)Nc4ccc(Oc5cccc(C#N)c5)cc4)CC3)n2)cc1 521810683 ZETSHKVDXHBKAQ-UHFFFAOYSA-N 494.555 5.059 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3nnn(-c4ccc(Br)cc4)c3C3CC3)n2)cc1 523321231 RYNMYBBRBGDPHE-UHFFFAOYSA-N 491.374 5.155 30 20 JKED COc1ccccc1-c1nnc(SCCC(=O)Nc2ccccc2C#N)n1CCc1ccccc1 589881005 ZCHWEEQHSXIBSI-UHFFFAOYSA-N 483.597 5.189 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1Cl 591137547 YLTALOMRFGVART-JOCHJYFZSA-N 474.944 5.758 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)cn2)c1 603622765 DZKOQZNACDCLTO-UHFFFAOYSA-N 467.382 5.341 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 603801417 XQYIKVLPAFYOAL-LADGPHEKSA-N 477.948 5.430 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 603908135 JEPFDKSYQXECIA-GOSISDBHSA-N 494.576 5.315 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC(c3ccccc3)c3ccccc3)cc2Cl)cc1 604129389 BYCLQNMXVKOTRA-UHFFFAOYSA-N 481.939 5.848 30 20 JKED CCOC1CCN(CC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccccn2)CC3(C)C)CC1 604273727 DMEAWLCXCNIWEF-CMDGGOBGSA-N 476.646 5.232 30 20 JKED CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)CC1 604439966 VECFHRLEZMYTLM-UHFFFAOYSA-N 469.610 5.975 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 608791650 JSNYQUAUKWHNOZ-QFIPXVFZSA-N 478.518 5.214 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3sc(-c4ccccc4)cc3OCc3ccccc3)CC2)nc1 608950422 ZFXOZJQLFOXUGG-UHFFFAOYSA-N 494.620 5.660 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 609061313 ZRMPFXFCAZUGBC-UHFFFAOYSA-N 467.485 5.007 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(CC(=O)Nc4ccccc4F)cc3)o2)cc1 609064363 QRWITYDVHZHKBK-UHFFFAOYSA-N 469.472 5.303 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C(F)(F)F)c4)cc3)cc2)c1N 609074298 SOHGWBHVTWGYKA-UHFFFAOYSA-N 477.446 5.176 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 609127038 YTQYPRKVGBLTOM-UHFFFAOYSA-N 455.489 5.849 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4cccc(Oc5ccc(C#N)cc5)c4)nc(O)c23)C1 609176332 FHGKMSKLDPDSOK-INIZCTEOSA-N 484.581 5.757 30 20 JKED Cc1ccc([C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2ccc(F)cc2Cl)cc1 609374411 VZNDDCCCFALLEO-VWLOTQADSA-N 475.955 5.157 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1OC 613319234 AFUKSLKPRCDGRD-INIZCTEOSA-N 481.986 6.094 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)cs1 613319671 IZVSNLRSPVGKDD-HXUWFJFHSA-N 465.987 6.298 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc(Cl)c1OCCC(C)C 613402007 YGFZMJSTULHBCZ-HNNXBMFYSA-N 461.896 6.008 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1cccc(Cl)c1 613403861 HLBREIXZLVAJLM-HNNXBMFYSA-N 460.868 5.953 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2cc(C(F)(F)F)ccc2s1 613404425 QTUCQJQKIOEDGI-GFCCVEGCSA-N 469.469 6.675 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nnc1-c1ccccc1OC 614508131 NPHOSMKHAVAGAO-UHFFFAOYSA-N 495.605 5.712 30 20 JKED C=CCN(C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1nc(-c2ccccc2)cs1 614512975 GKKDKGFYSLYOGM-UHFFFAOYSA-N 494.041 6.919 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 621799392 SAQCFYGCKIWYNO-HUUCEWRRSA-N 494.407 6.008 30 20 JKED N#C[C@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 622976418 FEFXUEJQQMZHSB-QGZVFWFLSA-N 478.517 5.521 30 20 JKED N#Cc1ccc(NC(=S)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl 726437704 IYYXNRSCGFCJNX-UHFFFAOYSA-N 464.325 5.072 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OC(C)C)cc2)cc1 726570507 BTBRKYAYPPAEMF-UHFFFAOYSA-O 493.052 6.562 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3cccc(OCC(F)(F)F)c3)SC2=S)cc1Cl 726626316 DFSGJBNDGXKJCL-FRKPEAEDSA-N 454.882 5.559 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C\c2cccc(Br)c2)cc1 727355457 SEDZKFVWXKEFCI-KCNXZKISSA-N 453.361 5.517 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cc4ccccc4nc3N3CCOCC3)s2)cc1 727975271 RQOSQHVDLRAGGP-FMIVXFBMSA-N 471.582 5.408 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3scnc3C)C2=O)cc1 729141542 BZFPYXJVFOYJPD-OAQYLSRUSA-N 494.642 5.319 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 729144932 HBYFAVQBIXOYFA-LJQANCHMSA-N 485.034 5.574 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(C#N)cc3F)c2)cc1Cl 729846910 QRBUCNABOUWGQT-UHFFFAOYSA-N 492.359 5.043 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(Cc2cocn2)C1=O 730713617 UALCFMXLPYTRFO-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3cccnc3)C2=O)c1 730942286 LKKPDJHYJCOPOP-MBSDFSHPSA-N 476.577 5.559 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N([C@@H](C)c2cccnc2)C1=O 730945116 NAEDDTXJKYHMCK-YBPWMRRSSA-N 494.642 5.303 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731070184 SNBOGOOOBSQLQX-MRXNPFEDSA-N 465.600 5.090 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@H]1C 731076869 CDKPDUOKIYFXKT-RTBURBONSA-N 489.597 5.278 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)c1 731309063 SIWQFSZKUXOIBN-FQEVSTJZSA-N 465.600 5.231 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 731309429 SHUXKEONFIVLNN-GAJHUEQPSA-N 474.586 5.071 30 20 JKED COc1ccc(N2C(=O)/C(=C/Nc3ccccc3S[C@@H](C)CC#N)c3ccccc3C2=O)cc1OC 731338988 MTYUDWPUAPHCGK-VJWQYWRGSA-N 499.592 5.738 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ncnc3c2oc2ccccc23)cs1 744788643 SXDCMCFRWRKTAN-UHFFFAOYSA-N 462.922 5.617 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1Cl 744936197 OKJNIJWWPLDJNB-GFCCVEGCSA-N 480.760 5.740 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(COc2ccccc2Cl)n(C2CC2)c1=S 746033053 LIRHYEOHHVZDGZ-UHFFFAOYSA-N 468.026 5.721 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)nc1C 746231773 MUJBGEGJGHSDGA-UHFFFAOYSA-N 482.660 5.486 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 746694174 RDDWUNGOGVYONJ-HSZRJFAPSA-N 483.609 5.091 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cc(OC)c(O)c(OC)c1)C(=O)c1ccccc1 747151032 WCYZMLKBGHQCDY-JCMHNJIXSA-N 459.542 5.439 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 747562848 ZWUCQBMPIUBQNQ-HHHXNRCGSA-N 450.582 6.053 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1-c1ccccc1 750908445 AMDWXXJWGHLSIE-VWLOTQADSA-N 487.625 5.158 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1ccc2ccccc2c1 799213911 AFEAKNFDQPQKNO-LJQANCHMSA-N 457.477 5.362 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 818167598 MMTHKWVYGIWRFY-UHFFFAOYSA-N 477.517 5.078 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 837383379 NDJMIRBXNLFVFI-CVDCTZTESA-N 458.587 5.420 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC(C)CC2)ccc1Cl 856436315 GOAQGRRDTGJFRQ-UHFFFAOYSA-N 467.418 5.247 30 20 JKED C=CCn1c(SCc2nc(COc3ccccc3)no2)nnc1-c1ccc(Cl)cc1Cl 904306887 NVITXUUSPRTEBM-UHFFFAOYSA-N 474.373 5.692 30 20 JKED C=C[C@@](C)(CCOC)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904668139 GEEHSTBUZZMMLX-FQEVSTJZSA-N 453.848 6.076 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)c(C)c2c1 912585235 PCUXWCGTKSXEST-HXUWFJFHSA-N 460.530 5.063 30 20 JKED O=C(Cn1c(SC(F)F)nc2ccccc21)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914767256 ZMFQCLWNAGXGDI-URLYPYJESA-N 475.405 5.377 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccc(F)c2)C1=O 914773057 WFQDKJWBIPYZBK-QFIPXVFZSA-N 481.524 5.134 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2n1C(F)F 915105149 ZKXWWJNHPVHKOC-AWEZNQCLSA-N 475.282 6.202 30 20 JKED C=CCn1c(SCC(=O)OCc2csc(C(C)(C)C)n2)nnc1-c1ccc(Cl)cc1 915364954 BHSMVAVNNOIWPW-UHFFFAOYSA-N 463.028 5.374 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F 915673532 ANJBBXAHFJXABL-UHFFFAOYSA-N 473.867 5.048 30 20 JKED CCCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1OC 915990143 KPRQEKQYJJYZKK-NTMALXAHSA-N 486.540 6.190 30 20 JKED CC(C)c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 916312597 GVOFZGDCLJCCIX-UHFFFAOYSA-N 467.396 5.188 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3SCc3ccccc3)o2)c(Cl)c1 916368418 FDJZPFMIAYTZJM-UHFFFAOYSA-N 471.951 5.563 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3SC[C@@H]3CC3(Cl)Cl)CC2)cc1 916693163 BFMHVJNUZMFTBT-FQEVSTJZSA-N 489.472 5.584 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc(O)c2c3c(sc2n1)CCCC3 916847435 PDNDHNKIIJTZNH-ATWMFIQVSA-N 459.449 5.064 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 916883201 HQDHJHBMJRWXSS-FCHUYYIVSA-N 493.535 5.210 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(C)cc1Br 916902506 YYURIBYJUGLXHQ-IDTUSYRASA-N 461.743 5.089 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1 916913414 FKIUUSZQCZTSJS-HSZRJFAPSA-N 465.557 5.248 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916931790 ODQTXTPASVBXOC-SFHVURJKSA-N 475.763 5.339 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)Nc1ccc(F)c(Cl)c1 916936775 WCJLDHJXNRJERT-HNNXBMFYSA-N 492.757 5.255 30 20 JKED CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)C2=O 916977470 RXSOGEDPMSOYGM-OHWUJUKESA-N 499.036 5.167 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc2ccccc2c1 917698733 BWWVAFBISQWASH-QFIPXVFZSA-N 498.004 5.109 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C(C)C)c1 917714823 ZVYGVJZHPIBKFD-LJQANCHMSA-N 463.525 5.809 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 918470455 KVOAOFKUHITSDP-MRXNPFEDSA-N 467.393 5.265 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c1C 918832993 GKIFYBARTXBDEY-CJLVFECKSA-N 462.546 5.535 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 919665826 FRLZORJNBZQNPK-HXUWFJFHSA-N 499.350 5.551 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nccn3-c3ccccc3C)n2)cc1 920143345 PFOYUPPLMBUTTC-LJQANCHMSA-N 460.584 5.281 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)COCC(F)(F)F 921253847 PZZXGUXMRZHTAD-PKOBYXMFSA-N 493.551 5.231 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1-c1ccc(C)cc1)C2 1779274234 PIRWDNKPCOZJCE-IWGZPIKUSA-N 486.656 5.558 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)C1 1781460025 WMOLVIWYCGLKPO-UWPQIUOOSA-N 494.582 5.097 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)on4)CCC3)cc2)cc1 1785879642 FUMKHHIFBHVEBR-UHFFFAOYSA-N 476.536 5.204 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)cc1 1786333247 QALKAIMULLYSLS-UIOOFZCWSA-N 465.553 5.118 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)cc1 1786371192 LIKWIRVWVRRUAO-MRXNPFEDSA-N 496.405 5.269 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCCCCC(=O)OC(C)(C)C)CCC2)cc1 1786374091 CISGWXXJYBXPRB-OAQYLSRUSA-N 486.653 5.394 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)Cc3c(C)noc3C)cc2)CCC1)c1ccccc1 1786716809 YGKVUQQKOWEJIM-RUZDIDTESA-N 469.585 5.165 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc5ncccc45)cc3)CCC2)c1 1788906510 OEATXQXCLKYYQR-UHFFFAOYSA-N 464.500 5.307 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1789491224 ATHBPGJNCHBDNK-DEOSSOPVSA-N 469.585 5.069 30 20 JKED COc1ncc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)cc1F 1789507567 IOKIOKWLGYCUGV-UHFFFAOYSA-N 481.644 5.028 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ncc(Cl)cc4Cl)CCC3)cc2)c1 1790256569 WKGQHNZSOXDNHZ-UHFFFAOYSA-N 465.340 5.322 30 20 JKED CCOc1ccc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)ON=C(C)C)CCC2)cc1 1790693066 SAHSUYGIKOLCGG-QGZVFWFLSA-N 471.985 5.287 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccc(OC)c3OC)cc2)CCC1 1790717794 KGVSSDOSBNCTDI-HXUWFJFHSA-N 466.553 5.359 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c(OC)c1 1790767992 WEXPLFIBTYZRNK-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccnc5c(O)cccc45)cc3)CCC2)c1 1790981702 WMZQHCLPRJMORZ-UHFFFAOYSA-N 480.499 5.013 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H](c3ccccc3Cl)N(C)C)cc2)CCC1)C(F)(F)F 1791130666 FBXGFZBPSHKTKF-FQEVSTJZSA-N 479.930 5.195 30 20 JKED COc1cc(F)ccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124135 MBCCLXJYUURHPW-SFHVURJKSA-N 471.532 5.523 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CS[C@@H]4CCCCO4)CCC3)cc2)c1 1792124903 OPYAWMUWTNIFIM-UQBPGWFLSA-N 477.630 5.321 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1 1792338424 OGIGWMVMADGOAS-ACSYHNTCSA-N 493.648 5.170 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C#N)c1Cl 1799305796 MIXCVHMHWJEVFY-MUJYYYPQSA-N 476.791 5.393 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1800743203 AXQQPYBNEXUSHO-GHBCEBDRSA-N 475.555 5.291 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1802390909 TUKNFSGSSBLTCX-GGXMVOPNSA-N 486.660 5.198 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1803083832 KGIBYGOVINMXOS-URXFXBBRSA-N 474.630 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(F)cc2F)[C@@H]1c1cccnc1 1803983433 URWGMQDNEJSYHT-CTCXMXBXSA-N 467.560 5.071 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1810175521 ZGCMDFYJOGGCFO-OTPAQWSUSA-N 463.647 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2OC)[C@@H]1c1cccnc1 1810502002 GAPJKVYJCFUXGA-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1810504554 FIKKNRGKFBRXJK-DENIHFKCSA-N 473.539 5.412 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1811949078 QJEIOJJXIQBZKE-MDNUFGMLSA-N 471.523 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3c(F)c(F)ccc3c2)[C@H]1c1cccnc1 1812243411 YXCOEDCEWNHONO-NBGIEHNGSA-N 492.570 5.220 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cccc4c3oc3ccccc34)[C@H]2c2cccnc2)C1 1812301279 AFZQIXRPSLMWLI-RXFWQSSRSA-N 465.553 5.267 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1813564534 MCZUFDREJHADCU-GJMSYMISSA-N 479.741 5.109 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814381206 LIIXGJRXZDCHKG-NLFFAJNJSA-N 469.589 5.018 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OCC(F)(F)F)cc3Cl)[nH]n2)C1 1814396865 KVVIKTZSMMKFKM-LJQANCHMSA-N 496.917 5.276 30 20 JKED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1)c1ccc(Cl)cc1 1814659595 DYLSKJHTZSZGQQ-GAJHUEQPSA-N 475.980 5.239 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c1 1814738821 HYMYMUKBTQBIGG-FQEVSTJZSA-N 473.558 5.028 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)Sc2ccccc2)n[nH]1 1815090174 KOZBFMKLLJLZPH-GCJKJVERSA-N 452.624 5.351 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cccc4ncccc34)n[nH]2)c(Cl)c1 1815181986 KELLNNYNEKDXIF-DEOSSOPVSA-N 498.974 5.032 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816202914 WLQHGDPKOXJJKW-XMMPIXPASA-N 475.568 5.618 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@@H]2CNc3ccccc3C2)n[nH]1 1817371870 LDWVOGGZOXCPML-GBXCKJPGSA-N 477.653 5.459 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817773725 QUOFLLDBAUJXNQ-HXOBKFHXSA-N 485.613 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3nc(C)sc23)n[nH]1 1818537098 HIBGLMVZAAGAME-HXUWFJFHSA-N 465.623 5.626 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)ccc2n1 1818676355 OYTGQBSJPAUQQY-XMMPIXPASA-N 498.974 5.411 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)n[nH]1)c1cccs1 1818930327 IGQMOHNAXNIOLV-CXPCRFEFSA-N 494.661 5.509 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1819307993 SBPBHHXQPIMORC-CTNGQTDRSA-N 475.618 5.608 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1c[nH]c3cc(OC)ccc13)CC2 1819599310 CQQUTLPVDUWAGA-ZSGQJBBISA-N 490.629 5.027 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](c1ccccc1)N(CC)CC)CC2 1820100464 JCVLPDFEERGWON-NFBKMPQASA-N 482.694 5.131 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277872 ABRPLXLMGSTSKB-OAQYLSRUSA-N 493.995 5.753 30 20 JKED Cc1csc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)c1 1821308689 APGLLZRBRDHVQS-SFHVURJKSA-N 487.507 5.290 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)Sc3cccs3)[nH]n2)c1 1821324595 AWJQTZFKANUXCQ-UZLBHIALSA-N 479.631 5.138 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c1 1821326046 HDJPIJPUEDZOJB-DEOSSOPVSA-N 453.546 5.087 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)n[nH]1 1821788009 HETKZPPIQAIJIE-FESMNKHTSA-N 489.664 5.300 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)n[nH]2)c1 1823391992 NUWWJZRMGHYKKQ-JXXFODFXSA-N 491.489 5.095 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1823668062 NXSBOHHTFSMVMO-AREMUKBSSA-N 482.584 5.069 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)Sc3ccccc3)CC2)c1 1824392776 UBWNIFZXROZOHW-QFQXNSOFSA-N 475.658 5.281 30 20 JKED Cc1cc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1F 1827684919 ZIGMGRZUIWOSOY-VQKOGROQSA-N 486.584 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1828830168 MDEVYHZVIGZYGU-DNQXCXABSA-N 492.582 5.716 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCN(c3ccc(F)cn3)CC2)CC1 1829069949 CRGJKEJAQNRSPF-RUZDIDTESA-N 498.687 5.049 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562835 JUGHNKYPZAMOGO-WNCULLNHSA-N 483.656 6.052 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1)c1cccs1 1830025218 HCBQXVJWGZWPQE-RQWLHQTBSA-N 471.022 5.074 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1830104210 MVTCZXGNULYDCW-RUZDIDTESA-N 494.035 5.548 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)ccc1Br 1830120143 MKRRATGLDDIHQW-XMMPIXPASA-N 494.433 5.176 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCC2)CC1 1830357194 QVOJMMNFVMIISV-RPWUZVMVSA-N 489.701 5.046 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1830414059 CZWDBGWQOLNFRQ-NVQXNPDNSA-N 490.648 5.091 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536004 ZJBVNHGXGSKCDJ-AZUAARDMSA-N 474.564 5.032 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)CC1 1830716731 JPOPBEZQOLSXFS-RUZDIDTESA-N 467.629 5.537 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)c1 1830716825 CZHWINKGDITHBY-COIATFDQSA-N 499.508 5.061 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831376675 UIWLHZOPWRDRPP-KBMIEXCESA-N 453.602 5.072 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831448945 SPVXKVWROCRJIU-NRFANRHFSA-N 464.984 5.203 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1831521127 PUDXCJSLPMKOEZ-FIPFOOKPSA-N 471.645 5.488 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 1831751445 GQWCTXQHSNDLIF-YTMVLYRLSA-N 489.635 5.299 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831790980 LEZCWWIQIHEBRX-SYKYGTKKSA-N 498.667 5.313 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc4ccoc4c3)CC2)c1 1832631142 RSDDOCQZDXMKJE-UQBPGWFLSA-N 470.573 5.002 30 20 JKED COc1cccc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634993 YYTXKPIFYDVHPB-RBFPLYSUSA-N 485.628 5.269 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1838423995 BDHZXHSNBBYJJR-UHFFFAOYSA-N 488.672 5.958 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/C4CCCCC4)CC3)CC2)c1 1838644803 FVUCJEHDOOTJAE-NELJVSICSA-N 477.649 5.062 30 20 JKED CCc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2CC(C)C)cc1 8658141 DCHDVEBHNCKLQF-SFHVURJKSA-N 463.607 5.066 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[n+]1ccc2c(c1)CCCC2 10174353 GPOVFWJZJKNJDC-UHFFFAOYSA-O 490.649 5.198 30 20 JKED N#Cc1ccc(CSc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)c(F)c1 10617795 OCKSEDJRPPQXIX-UHFFFAOYSA-N 474.952 5.622 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 14872560 RBXCFCKSMXCWST-UHFFFAOYSA-O 499.987 6.591 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 14908392 HPOGCUZNGOPLFW-WNCULLNHSA-N 469.541 5.007 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1cccnc1 18404948 SDDOLDKMHVTPMV-QHCPKHFHSA-N 471.586 5.315 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 22800423 VLFMAKQZNLDCCD-UHFFFAOYSA-O 498.987 5.913 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1[C@@H]1COc2ccccc2O1 23592242 DHBYUSNUIXHBHD-PNCHPQGNSA-N 478.618 5.609 30 20 JKED O=C(CSc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1)NCC1CCCCC1 105675225 ZQJCIZABZPSKQK-UHFFFAOYSA-N 483.637 5.522 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccccc1F 218657391 DYKLFRMIHKGXFI-ZWKOTPCHSA-N 460.578 5.781 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2Cl)C(=O)N1c1ccccc1OC 254909231 ZNABABDCOZORCG-QFIPXVFZSA-N 495.988 5.522 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1)Cc1ccco1 303211878 RJFHEFDCDRCPAJ-UHFFFAOYSA-N 451.526 6.273 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 303279430 LUEJRGALWLWMRO-QFIPXVFZSA-N 475.593 5.120 30 20 JKED COc1ccc(CSc2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)s2)cc1 480458273 HFGOVPXPUPFVOX-GOSISDBHSA-N 498.699 5.883 30 20 JKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481596113 KKMCBPPKWOGNTQ-UHFFFAOYSA-N 480.927 5.389 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 483382389 WSUYILGUIDVHDO-UHFFFAOYSA-N 472.495 5.751 30 20 JKED Cc1oc(-c2ccccc2)nc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487291794 SEWPZDAHBBWBMO-UHFFFAOYSA-N 468.460 5.840 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc(-c3ccco3)nc21 490429370 FIFQXFHWBLZFDE-UHFFFAOYSA-N 490.523 5.648 30 20 JKED Cc1nc(SCC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(C#N)c(C)c1C 499551080 XIESGYQIXWVOHR-HSZRJFAPSA-N 473.577 5.017 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)c2)cc1 501481975 RRORTBCMZQZLDF-UHFFFAOYSA-N 486.959 5.996 30 20 JKED C=CCc1cc(CNC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)cc(OC)c1OC 509682151 FFTXHLUDZFBMET-LJQANCHMSA-N 491.451 5.573 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1ccc(C(F)(F)F)cn1 513158235 AEYSDQGSSXHUMU-KRWDZBQOSA-N 475.264 5.932 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 513686692 DNRYTOWPXRZBJM-GOSISDBHSA-N 493.382 6.136 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)oc12 515258580 PQHFKRCXFLDPKU-KRWDZBQOSA-N 484.512 5.015 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OC 515541842 ASLFATPPPBEAQT-ZDUSSCGKSA-N 478.293 5.481 30 20 JKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 517460637 NUZQGTDIKHVRBV-IEGUWTFLSA-N 493.032 6.363 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(C(F)(F)F)c2)n1 517533623 YJGQKZJWOZQRPO-KRWDZBQOSA-N 487.551 6.224 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1[N+](=O)[O-] 518961629 QZTXTOMSJTWRLX-UHFFFAOYSA-N 497.511 5.734 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 519914131 HZMBVGZAHKPFPO-SNVBAGLBSA-N 454.342 6.133 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(CCCOCC(F)(F)F)CC2)cc1Cl 520613441 NLUSYJKMRKDQSX-NRFANRHFSA-N 494.945 5.114 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 520837501 XOIRFMGLYGHGTR-QMHKHESXSA-N 454.567 6.689 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 521091717 BOZRSOZFOSQRPE-UHFFFAOYSA-N 467.356 5.295 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(OCC(F)(F)F)cc1 521412445 FRSDNRTULKMOKR-GOSISDBHSA-N 483.490 6.155 30 20 JKED Cc1ccc(C)c(Oc2ccc(CNC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)cn2)c1 521804609 TXPAMNGVBYFBQJ-IBGZPJMESA-N 474.586 5.140 30 20 JKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1occc1COc1cccc(C#N)c1 523272434 SDVISIVMPPXVED-UHFFFAOYSA-N 451.482 5.543 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cc2)c1 524389164 TWXAGQHFPNWRMK-UHFFFAOYSA-N 468.538 5.027 30 20 JKED CC(=O)N1CCc2c(sc3nc(-c4cccc([N+](=O)[O-])c4)c(C#N)c(-c4ccc(C)cc4)c23)C1 542514225 BKEPVLFWYFDBAK-UHFFFAOYSA-N 468.538 5.623 30 20 JKED C[C@H](c1cccs1)n1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2csc3ccccc23)c1=O 588157600 IRKCVXHJMVVXOP-QGZVFWFLSA-N 498.654 5.181 30 20 JKED CCOc1ccc([C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 589261764 HKLDQKZXKAYYSD-SFHVURJKSA-N 459.571 5.179 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c2)cc1 589830083 GVMCCWYORTWYRH-HHHXNRCGSA-N 494.616 6.709 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 590460170 MXQDIFHJDYKZBB-IBGZPJMESA-N 460.505 5.204 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)n2)cc1 591862578 WQSRJJAJDJDNPO-QFIPXVFZSA-N 453.523 5.500 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)sc2c1CCC2 602754889 OZTAWDJRRPLDDJ-UHFFFAOYSA-N 475.574 5.226 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 603746213 NWTWMIZMCKFVBW-AREMUKBSSA-N 466.585 5.802 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603763525 DCXNTGLUKDNSEL-UHFFFAOYSA-N 471.517 5.624 30 20 JKED N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)cn2)c1 603979200 LODLMISHLLSKNJ-UHFFFAOYSA-N 454.722 5.507 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 609066513 DHXXXHUKYXNOFM-UHFFFAOYSA-N 474.467 5.202 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609078932 ULTKTXXELFFXLF-HHHXNRCGSA-N 455.558 6.213 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 609080411 ZLTNVTRBDGAWPI-UHFFFAOYSA-N 458.537 5.329 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)o2)cc1 609174597 OKPWKMFBHQBVSK-AREMUKBSSA-N 463.493 5.304 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 609428614 XJDBDNDGAWBCMX-AWEZNQCLSA-N 461.534 6.404 30 20 JKED N#C[C@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccc(F)cc1 609600475 HQPVWFYSDFCPGR-CAVPUYEOSA-N 472.501 5.655 30 20 JKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 613401877 QDQVOLWNNROSGE-FQEVSTJZSA-N 483.478 5.783 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1F 613906592 PPTMSPAOCPZPHR-AWEZNQCLSA-N 480.487 5.138 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 615914524 INCIMBMAOPQBJI-LLVKDONJSA-N 460.934 5.158 30 20 JKED O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618295223 HENFNBURXNCGRL-GASCZTMLSA-N 469.347 6.575 30 20 JKED CC(C)(C)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 619561867 DNZXDKJBLQRFOS-UHFFFAOYSA-N 468.582 5.286 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 623048360 JRJPKDPDTDRYQB-UHFFFAOYSA-N 456.424 5.139 30 20 JKED N#C[C@H](C(=O)c1ccc(OCc2ccccc2)nc1)c1nc2cc(C(F)(F)F)ccc2s1 624581471 BNAVJFABDNKZNG-QGZVFWFLSA-N 453.445 5.779 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 725733817 HEZGVIZDEFVHQI-KNQAVFIVSA-N 479.646 5.616 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NC23CC4CC(CC(C4)C2)C3)[n+]2ccc(C)cc2)N=C1C 725761189 DNHGDZVYSUGQRH-UHFFFAOYSA-O 464.655 5.046 30 20 JKED Cc1cc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c2cc(Br)ccc2n1 725975280 IMRLUJMOXRGMQJ-UHFFFAOYSA-N 476.330 5.214 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cn1 726112291 NFVFRKABFYZFER-ZCYQVOJMSA-N 487.629 5.323 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@@H](C)OC)c1 726393724 QWYOMYZQCPVTME-AUSIDOKSSA-N 467.635 5.251 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S/C1=N\[C@H](C)c1cccs1 726420797 JDVSMKFVLURROE-NSJWOJMJSA-N 481.643 5.328 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(COCC)c2)c1 726508173 MJKORVTVKNVOQZ-UHFFFAOYSA-N 485.005 5.510 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 726941709 IXCCFFWAUDCBGU-UHFFFAOYSA-N 453.951 5.010 30 20 JKED CCN(C[C@H](C)C#N)Cn1nc(CSc2nc3ccccc3s2)n(Cc2ccccc2)c1=S 726963829 NSZWMWZUASLYOY-GOSISDBHSA-N 494.715 5.803 30 20 JKED CCc1c(C)sc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c1C#N 727790608 MJVLMGDTYNFTIB-UHFFFAOYSA-N 474.007 5.221 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2nc(-c3ccc(OCC)cc3)no2)c1 728182001 PLXXLWSWDWUNDT-UHFFFAOYSA-N 457.555 5.344 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)cc1 728412040 QTFDZQZZPLYZQG-IEUSDUHPSA-N 451.570 5.198 30 20 JKED Cc1ccc(Nc2nn(CN3CCC(Oc4ccc(C#N)cc4)CC3)c(=S)s2)cc1C 728902730 ABZMPAKAIGXGFG-UHFFFAOYSA-N 451.621 5.407 30 20 JKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1csc(-c2csc(C)n2)c1 729142895 FKOCTBLCAPPVSX-UHFFFAOYSA-N 481.647 5.541 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3scnc3C)C2=O)cc1 729146191 PQVFUOVUDQOCOP-LJQANCHMSA-N 486.569 5.199 30 20 JKED CC(C)CN(C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F)c1ccc(C#N)cc1 729175012 OQEPRXAVDARSEL-IBGZPJMESA-N 491.588 5.140 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2ncccc2C)C1=O 729635035 ZLKCBSUBISUIRZ-DEOSSOPVSA-N 488.613 5.176 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CCC3)C2=O)cc1 730459742 MZJGAVIGCJZODU-HXUWFJFHSA-N 490.551 5.284 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)c(F)c1 730533714 CSOWJSVKJRGDFG-SFHVURJKSA-N 478.387 5.267 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 730942102 DVSQBFZVHNNKOM-AOMKIAJQSA-N 495.004 5.465 30 20 JKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731077733 OHEFOVJEBUZVCK-MRXNPFEDSA-N 483.977 5.187 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 731114130 GMVODOBTQBZKKE-QFBILLFUSA-N 458.425 5.940 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(Cl)cc2)C1=O)Nc1cccc(O)c1 731305253 AVTDMOWZKHXUKR-NRFANRHFSA-N 483.952 5.345 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)ccc1F 731305925 IKVWNLOQZRPKGM-JOCHJYFZSA-N 481.524 5.139 30 20 JKED N#CC1CCN(CN2C(=S)N(c3ccccc3F)C(=O)/C2=C\c2ccc(Cl)c(Cl)c2)CC1 747078790 DXUPLOPEFWQHFD-CIAFOILYSA-N 489.403 5.300 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c(C)c1 747600246 ONZZYDRVPQOADO-JOCHJYFZSA-N 478.643 5.537 30 20 JKED Cc1nn(C)c2ncc(/C=C3\CC(C(C)(C)C)C/C(=C\c4cnc5c(c4)c(C)nn5C)C3=O)cc12 748511369 KCNJSISRISVHPW-IYJUZEOBSA-N 468.605 5.359 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2Oc2cccnc2)n(Cc2ccc(F)cc2)c1C 748554001 XOJSNWWDPCHVRX-UHFFFAOYSA-N 498.514 5.147 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 749657004 SPWQYQGLJZWWQE-JYFHCDHNSA-N 489.616 5.389 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c1 799217765 VWTHIDNXFKPRCX-QGZVFWFLSA-N 471.451 5.104 30 20 JKED C=CCN(C(=O)COC(=O)c1ccc(C)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 818134967 QPHBSNKVVUVCKS-UHFFFAOYSA-N 462.358 5.196 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3cccnc3)C2=O)cc1 837397204 CXWZLQDEONZBLJ-NTKDMRAZSA-N 488.613 5.510 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 837785762 ZZNGQBKNUABSQZ-VFNWGFHPSA-N 482.968 5.596 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1sc(Nc2ccccc2)nc1Cl 839414341 KNRVLXLXIQJBJN-UHFFFAOYSA-N 487.010 5.280 30 20 JKED C=CCc1ccc(OC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(OC)c1 875119863 JNIQTROOYWBETG-UHFFFAOYSA-N 454.876 5.313 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2ccc(O)cc2)ccc1Cl 880931484 LUUVJMMRGQLNOV-UHFFFAOYSA-N 491.396 5.010 30 20 JKED CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1 904693221 TVPHOPXDLJOHRA-IBGZPJMESA-N 482.924 5.362 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O[C@H](C)c2nc(C(C)C)no2)ccc1Cl 914899181 YQIJPZDXKUSPIQ-MRXNPFEDSA-N 489.981 5.146 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3csc(NC(=O)Cc4cccs4)n3)c2C#N)C1 915138719 QHXYQBHRPRPWEB-AWEZNQCLSA-N 498.699 5.651 30 20 JKED Cc1csc(SCc2c(C(=O)N3CCCN(c4ccccc4C#N)CC3)oc3ccccc23)n1 915649051 QEOAMQBVNDJOBO-UHFFFAOYSA-N 488.638 5.714 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2scnc2C)cc1OC 915988012 PFYGVSCWRFMBHB-YWEYNIOJSA-N 472.950 5.036 30 20 JKED COc1ccc2nc(C)c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc2c1 916056757 XKMCHEFNYLHFKU-UHFFFAOYSA-N 482.487 5.742 30 20 JKED O=C(O)C(=O)/C(=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc2ccccc2n1 916138286 DSFYLJFXZVKQEB-RCCKNPSSSA-N 456.885 5.335 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1 916210766 ILTKXOXWXQEXFW-IBGZPJMESA-N 459.518 5.191 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc2ccccc12 916217027 BSXPLEFUBZBHAH-XMMPIXPASA-N 489.597 5.039 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNc2nc(C)nc3sc(-c4ccccc4)cc23)cs1 916312297 RGEUGIJFGIZRFC-UHFFFAOYSA-N 484.610 6.254 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928395 KIHSPSASSLTENK-GFCCVEGCSA-N 452.363 5.309 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916930593 DMPLOJHJZQORFL-OAHLLOKOSA-N 462.333 5.449 30 20 JKED N#C[C@H](C(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1nc2cc(Cl)ccc2s1 917046884 NDCFLAXYDAUAHD-UEXNTNOUSA-N 472.917 5.071 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C 917505642 OQVGHSBNIOLMPW-QFIPXVFZSA-N 494.551 5.175 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc1OCc1ccccc1 917644826 MNCLOMFRYNUIHR-OEAKJJBVSA-N 458.564 5.552 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c(C)c1 917675314 WRARAOITEWKUQM-DCLXLUIPSA-N 494.636 5.030 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)cc1 917677358 CNBZAVXYTKZYPL-JOCHJYFZSA-N 486.037 5.067 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 918575237 CPCWMIHRMYXHCS-QGZVFWFLSA-N 453.502 5.385 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1ccccc1Br 920266994 CUACIWAOADXLSO-SFHVURJKSA-N 477.387 5.865 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)n1 920632787 WHFJGHAJRZOJQH-MRXNPFEDSA-N 489.322 5.179 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)c12 920681217 KRPNWJBXCNLXIL-GOSISDBHSA-N 486.528 5.236 30 20 JKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2Cl)n1 920753369 XYILSPKORTTXJH-MRXNPFEDSA-N 490.951 5.169 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1c(C)cccc1C 920985402 UUFJEXOPBXWTFZ-JOCHJYFZSA-N 495.645 5.224 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3ccccc3-c3ccccc3C#N)cs2)cc1 921182064 WXMHVOGSTWOLLO-UHFFFAOYSA-N 481.577 6.286 30 20 JKED Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1 1522259140 SYLURNNTHRYWDG-UHFFFAOYSA-N 453.498 5.133 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3c2oc2ccccc23)C1 1781443274 PZGFOEGQBBPKSJ-FYBSXPHGSA-N 488.628 5.706 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc(F)cnc4Cl)CCC3)cc2)c1 1786042593 LMACSCLVIUVJIJ-UHFFFAOYSA-N 476.939 5.126 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cn3ccc4sccc4c3=O)cc2)CCC1 1786833970 PYSYDLDOAAONRM-UHFFFAOYSA-N 477.630 5.190 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CCN4CCCC4)nc3)cc2)CCC1 1788685020 ZWRUACVJTXPNNU-UHFFFAOYSA-N 486.660 5.236 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)cc2)CCC1 1789230159 VJEDYNQLEVDBMW-UHFFFAOYSA-N 468.479 5.484 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)no4)cc3)CCC2)ccc1F 1789781824 BVNXNFQHAQTWOL-UHFFFAOYSA-N 494.526 5.343 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4F)cc3)CCC2)cc1 1790071006 BLDGKMRMORPJTA-UHFFFAOYSA-N 452.489 5.240 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790089774 CDPHTHMHVUDIKP-CCVNUDIWSA-N 475.932 5.546 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4n[nH]c5cc(Cl)ccc45)CCC3)cc2)c1 1790258328 GGICKIBJWSOIPT-UHFFFAOYSA-N 483.959 5.078 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cc(C)ccc5[nH]4)CCC3)cc2)c(C#N)c1 1790473077 RAXDDYARPYBDCV-UHFFFAOYSA-N 492.579 5.347 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)ccc1F 1790521159 OBZIKIWLVBWSPG-UHFFFAOYSA-N 478.527 5.236 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791008315 FOAYZFJIDKWPHW-IBGZPJMESA-N 483.568 6.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4onc5ccccc45)CCC3)cc2)c1 1792127447 YYTNSTGAMTXSFX-GOSISDBHSA-N 464.525 5.516 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Br)c4ccccc4c2)C3)c1 1799601350 KNIFIVBMJYUMFH-KOUNCHBCSA-N 488.385 5.040 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)c1 1803683426 DADOSOIYIWOWGP-KQLYMOGASA-N 488.569 5.002 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)C2)cc1 1804762622 FVEPADZNVCZIAR-UHFFFAOYSA-N 483.534 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3cc(F)cc(F)c3)CC2)C1 1805455291 VSKRKXSCJXANTC-UHFFFAOYSA-N 493.598 5.640 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1805698600 QDFFKOLEOXZQNI-CTNGQTDRSA-N 475.511 5.090 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)C1 1806682126 UVTOSVHZLMWHAS-UHFFFAOYSA-N 474.976 5.123 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C(F)(F)F)cn3)C2)CC1 1807070508 QPJLIGFQXKGALE-QFIPXVFZSA-N 477.571 5.033 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809209829 OJLQIZFZDGAZQS-CZAAIQMYSA-N 488.078 5.224 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCC2(CCCN(C(=O)C3(C(F)(F)F)CCC3)C2)CC1 1809605951 IFILUVWQAZOJDG-UHFFFAOYSA-N 494.451 5.422 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc4cc(F)ccc4s3)[C@@H]2c2cccnc2)cc1 1809848024 MATZJLKNUPBIFB-RLWLMLJZSA-N 498.583 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1810172662 QUYJQQYYCOGRPF-SKVJQKLOSA-N 480.612 5.232 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4)CC3)C2)c1 1810341887 QYWOGRBGNPPNSA-UHFFFAOYSA-N 478.596 5.087 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1810772742 JRVKFXLDVVETRZ-XUZZJYLKSA-N 496.449 5.241 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(F)c2Cl)[C@H]1c1cccnc1 1811094985 LNTMSRBWAFDYCX-PGRDOPGGSA-N 457.977 5.186 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811245540 ZMUYRHKBZZDPND-GGCFSWKVSA-N 489.619 5.157 30 20 JKED CC(C)(C)CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811252791 XRWJYQUKWOWYIO-XRKRLSELSA-N 479.624 5.237 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)oc2ccccc12 1811418993 DPVHPNYJBLOTIJ-CJFMBICVSA-N 498.970 5.295 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3c(Cl)cccc3Cl)[C@@H]2c2cccnc2)c1 1811714505 DIZOEMUXKZPMCA-CYFREDJKSA-N 493.394 5.202 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1811749128 MIANYJIBBAHMCZ-YWDMUFDYSA-N 493.051 5.389 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)sc3Cl)[C@@H]2c2cccnc2)c1 1811937021 HGHWWTKVQMPPIE-LAUBAEHRSA-N 499.423 5.263 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2ccc(OC)cc2)[C@H]1c1cccnc1 1812420972 AVZJRRSIVUMLDJ-MUEFHYHUSA-N 475.633 5.192 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)CC1 1812897885 AZPJUMPTMBKVEE-SAHYYXHWSA-N 478.036 5.009 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1812955484 ARBKGJNYLLCSBE-FIBWVYCGSA-N 491.676 5.046 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1813225962 HKOCXKSZLSZTMW-GGXMVOPNSA-N 497.639 5.292 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC3CCCC3)n[nH]2)cc(C(F)(F)F)c1 1816688782 CRLNNFOCFPXSEY-FQEVSTJZSA-N 473.499 5.186 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817745185 WKGAKERLLNNHFJ-DEOSSOPVSA-N 487.604 5.069 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)n[nH]1 1818160249 MWHLWJXCJIHBQL-HSZRJFAPSA-N 489.576 5.148 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C(F)(F)F)c[nH]3)n[nH]2)c1 1818209069 VLNFYUMUKNBZBZ-VBKZILBWSA-N 484.482 5.003 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)n[nH]2)CC1 1818441312 IXBDWCSSUNCFIH-RUZDIDTESA-N 490.567 5.235 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc(OC)ccc3n2)n[nH]1 1818666547 VFNZSIGORKVJPZ-HSZRJFAPSA-N 475.593 5.265 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)n[nH]2)c1 1818931147 IUUBTMFZZGPFRZ-DBYOASNMSA-N 477.584 5.333 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3cc(Cl)ccc23)n[nH]1 1819162503 WJMOKXGHYUXXJK-FQEVSTJZSA-N 466.973 5.014 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ncccc23)n[nH]1 1820121228 OQKBNHMLHGCSPX-RUZDIDTESA-N 492.583 5.129 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820236862 GAAPRNYHEWJMKW-DNQXCXABSA-N 490.579 5.095 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)[nH]n2)c1 1820309931 NUCISESLNGOFEW-QFIPXVFZSA-N 478.512 5.129 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157741 SIUZDACCYRUNFY-QFIPXVFZSA-N 481.547 5.335 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)[nH]n2)cc(C(F)(F)F)c1 1821308798 GMBUHRLZUJKMMU-UNMCSNQZSA-N 499.468 5.317 30 20 JKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)CC1 1822223739 ZDFRLMSHILSVQE-APTRMMRNSA-N 461.610 5.123 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1822397170 HCORHTAUNBSERZ-SFHVURJKSA-N 466.891 5.191 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1824540336 XJTQKGAVMQVFTK-RTWAWAEBSA-N 487.632 5.276 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccc(C)cc2)CC1 1828342263 CQGRPHVONMGVOV-JWQCQUIFSA-N 454.680 5.475 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)CC1 1828598981 FLJKGRHYSYNWSM-IBGZPJMESA-N 488.451 5.201 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 1828824966 QWHIWKBDLWPXGX-ICLZECGLSA-N 470.604 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1828827050 QRZDWYDFLCCBTQ-IAPPQJPRSA-N 471.645 5.750 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(cnn3C)c2)CC1)c1ccccc1 1829032219 KHBPUGSAKYNQRU-XRKRLSELSA-N 496.655 5.004 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1)c1ccccc1 1829033155 RHTFNRBYNLBNIU-XNMGPUDCSA-N 497.639 5.567 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1829068040 BAGKMODGSREJSL-TWJOJJKGSA-N 466.666 5.411 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573683 JMDATPYWBBTTDO-AZGAKELHSA-N 499.655 6.430 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc3cnccc23)CC1)c1ccccc1 1829593731 UGDRRTICDUBWMH-YTMVLYRLSA-N 494.639 5.060 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705488 HOSSJSJECCLDSN-IDISGSTGSA-N 493.623 5.527 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)c1 1830356897 SPEORKBADRXIQM-GCBXLJFKSA-N 461.650 5.683 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1830440529 DCYRBYAPWYGRGZ-QFIPXVFZSA-N 496.545 5.194 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471472 GPXRFZPEJQZNFQ-OAQYLSRUSA-N 482.999 5.572 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1830606656 SOTSCZVAXXXIDA-RUZDIDTESA-N 494.035 5.466 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC[C@H]3CNc4ccccc4C3)CC2)c1 1830768489 XJBQBXNRFDFUQO-RNWIMVQKSA-N 498.671 5.165 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3C=CS[C@@H]23)CC1 1831164101 QPUBOCUSFRMWMI-QUAHOIDUSA-N 496.676 5.195 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1831376032 ILTBGDVJQZREIE-IERDGZPVSA-N 454.508 5.290 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831728105 RNULRDDJKTWHTF-CLOONOSVSA-N 453.602 5.072 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2F)CC1)c1ccc(O)cc1 1831924638 SWZOJHLUPQBSKB-CUNXSJBXSA-N 494.582 5.101 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1832027933 AFGCUDNZNLLKLU-DEOSSOPVSA-N 463.647 5.237 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CC=CCC1 1832406503 IZDUQCKEOGRTFZ-JYFHCDHNSA-N 498.465 5.300 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)CC[C@H]2CCOC2)CC1 1832455801 PTKXZBWEHIAYBA-BHBYDHKZSA-N 498.667 5.136 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832629433 QFBRWFJEAAALSU-RZIGYZOXSA-N 487.644 5.359 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)c3ccccc3)CC2)c1 1832635734 QDWSOGAXWXOLPY-VHFRWLAGSA-N 457.618 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)C1 1843195812 BBIRZDLOQGOGJY-OAQYLSRUSA-N 483.534 5.353 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1 10837000 BIAZRUNDBZUITA-UHFFFAOYSA-O 460.406 6.161 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)Nc3ccc(CC#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1 14326794 XZBCVUUJAHAIFO-UHFFFAOYSA-N 487.585 5.219 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2/C(O)=N/c2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)o1 22298119 ZTNDUGXVFRMHBS-QZTJIDSGSA-N 477.590 5.143 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)COc2ccc(C#N)cc2)cs1 23630546 BOAFRMNXKITDJN-UHFFFAOYSA-N 476.341 5.128 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nnc1C1CC1 24966473 UTDOXEPYCPROHG-UHFFFAOYSA-N 455.008 5.917 30 20 JKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2/C(O)=N/c2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 30558459 JRDJZZKELSUOAQ-HZPDHXFCSA-N 498.561 5.098 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 59769860 MITNARQCQAGOQE-UHFFFAOYSA-N 464.909 5.795 30 20 JKED C=C(Br)CSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 68750441 RZKPYYQQNYKKSY-DHDCSXOGSA-N 469.813 5.796 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2Oc2cccnc2)n(C2CCCC2)c1C 110825051 SMXIRBVTWIOARM-UHFFFAOYSA-N 458.518 5.075 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1OCC 195662284 KENFGHYMRXBADS-MRXNPFEDSA-N 486.391 5.184 30 20 JKED N#CCCn1cc(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)c2ccccc21 255932020 OBWLBCKQDBSULW-UHFFFAOYSA-N 470.598 5.745 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)c1 255933487 MBRLNSIIVLNHIX-QHCPKHFHSA-N 453.999 5.043 30 20 JKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1nc(-c2ccc(Cl)cc2)cs1 303193427 KHVAGLHIMDAFJY-AWEZNQCLSA-N 469.847 5.628 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)cc1 303373511 KPRHXMBILOXXEI-UHFFFAOYSA-N 493.405 5.473 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 409471826 ZXAQIIIQYGBRKI-AWEZNQCLSA-N 451.336 5.064 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 483270031 OCBZDOJWUITQRH-UZTOHYMASA-N 473.548 5.159 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1ccc(OCc3ccccc3)cc1)O[C@H](C)C2 500656048 SZZIBBUDZWXRMN-NVHRKQFISA-N 482.580 5.472 30 20 JKED Cc1nc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)sc1SCC#N 504763117 SVESDUFSKAGBEW-UHFFFAOYSA-N 453.574 5.001 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(CCC#N)Cc1ccccn1 505201357 RDYWSCFRIHXETK-QGZVFWFLSA-N 489.626 5.023 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCc3cc(F)ccc32)nnc1-c1ccc(Cl)cc1Cl 510324261 ZLAAZOVDMRXHMM-IBGZPJMESA-N 477.392 5.473 30 20 JKED CCc1cc(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)s1 511106051 BTXAJEAKULWNGO-UHFFFAOYSA-N 484.006 5.466 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(NC(=O)C2CC2)cc1 514119098 RAJWICSOYSYUCY-IBGZPJMESA-N 470.548 5.519 30 20 JKED N#C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 514775496 HRLUARHNYNBVQT-NRFANRHFSA-N 477.952 5.200 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2)cs1 515677499 DPEVIZUFNZWVHG-UHFFFAOYSA-N 468.538 5.407 30 20 JKED O=C(CCCc1cccs1)Nc1cccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 516103109 UTZABJVZJKJYGD-UHFFFAOYSA-N 470.516 5.510 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc(C(F)(F)F)cn1 516466051 KBIPINZRGYYXRT-GOSISDBHSA-N 488.263 5.605 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)[C@H](C)c1cc2ccccc2o1 516711279 VWTOBJJCLYLPPD-GOSISDBHSA-N 468.513 5.430 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 516838575 NBVMXVPRBMMEPU-OAHLLOKOSA-N 484.434 6.025 30 20 JKED CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517321377 GMYLJRYGOOLYSN-JOCHJYFZSA-N 461.949 5.038 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 517800673 AQBZVIORESSSAE-OAQYLSRUSA-N 497.580 6.079 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccc(C(=O)NCc4ccco4)c3)c2)cc1 517905971 TVVAADLOIMAZDH-UHFFFAOYSA-N 466.497 5.195 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)c2)c1 518291784 JBZSYJNLEKKMGV-UHFFFAOYSA-N 487.519 5.290 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 518739286 WVIUTPMVZYGJBU-WBVHZDCISA-N 461.509 5.087 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(C(=O)N2CCCCC2)c1 519417236 NTOBZHVZLYVTPL-LJQANCHMSA-N 467.660 5.436 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 519509004 UNGZJDFPWQLTEC-FQEVSTJZSA-N 492.587 5.044 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C 521326031 JDLKNVGMZOWRAK-SFHVURJKSA-N 487.535 5.972 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2cccc(SC)c2)c1 522372764 REYBXRKGXVLFEG-UHFFFAOYSA-N 487.046 5.720 30 20 JKED C=CCc1cc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC 523309499 XTNQSNZKJWPSAQ-SFHVURJKSA-N 491.563 5.384 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 523372898 PUYOIDXNEFQVGV-DEOSSOPVSA-N 453.502 5.004 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(OC)c1OC 524439998 TZSHANNRMQGLKE-INIZCTEOSA-N 495.963 5.699 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)NC1(c2cccc(C(F)(F)F)c2)CC1 589758396 KEMLWMFFJKUMJR-STQMWFEESA-N 462.356 5.903 30 20 JKED C=CCN(C(=O)CSc1nc(=O)ccn1C(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 591772621 HVTYZTVYRNLKHK-UHFFFAOYSA-N 495.457 5.566 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)c1nc2c(s1)CCCC2 601635853 HKKBTPAQIOJIGN-UHFFFAOYSA-N 489.641 5.255 30 20 JKED CCN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 603530516 XLLXRQNKSZTPPZ-DFBJGRDBSA-N 459.977 5.683 30 20 JKED N#Cc1c(CCCNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)nn(-c2ccccc2)c1N 603593877 PMBPPBWPWAADRD-UHFFFAOYSA-N 494.580 5.072 30 20 JKED Cc1cccc(Oc2ccc(NC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)c1 603650035 SAGYNLFXJHXQFA-UHFFFAOYSA-N 469.501 5.261 30 20 JKED Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603990942 HEKIKSBHFFCQDK-UHFFFAOYSA-N 479.627 5.023 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cs2)cc1 603992518 XLWAXUKWDJMICE-UHFFFAOYSA-N 471.607 5.911 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 608785591 OCYWBNPIFDOJCS-UHFFFAOYSA-N 466.516 5.797 30 20 JKED CC(C)[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 608842995 AXHAHPQQRWERPD-QHCPKHFHSA-N 458.528 5.192 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 608892675 DETXRIFFMRXDKP-UHFFFAOYSA-N 495.436 6.000 30 20 JKED N#C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(OCc2ccccc2)cc1 609028712 NXDLGPDQZOFUOD-JOCHJYFZSA-N 490.972 5.442 30 20 JKED CN1CCN(C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c2ccccc2)CC1 609046844 MTJIADZNTQHROI-RUZDIDTESA-N 490.007 5.114 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1 609066399 BEIHWMFKFUKTNL-UHFFFAOYSA-N 460.234 5.362 30 20 JKED CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 609151572 DMVQXZGQYWPVDH-AREMUKBSSA-N 465.500 5.037 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(-c2cccnc2)no1 609207149 UMIJMUBCCOMKTP-QFIPXVFZSA-N 454.490 5.314 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609326826 ISKWIUHLYKCYSJ-KRWDZBQOSA-N 481.599 5.049 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)O[C@@H](C)C2 609356087 VXZGYNCPPMCDRR-JFJYTDJESA-N 470.529 5.145 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)cc2)c1 609427347 FPGAZHPUWNUXMA-UHFFFAOYSA-N 475.548 5.995 30 20 JKED Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 609435694 GLRZUSVMQIMJAS-LJQANCHMSA-N 451.636 5.293 30 20 JKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1[C@@H]1COc2ccccc2O1 614382367 CWQBWGHLNDQPKU-DEOSSOPVSA-N 484.581 5.521 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1[C@H]1COc2ccccc2O1 645079269 NYMOWDDCDSOZDC-HTAPYJJXSA-N 464.591 5.221 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)nc2sccc2c1=O 645080323 UJIMHPDUWAWBPR-VXGBXAGGSA-N 470.645 5.332 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)CCc2ccco2)cc1F 726413597 YXAYRFRSYWUPHP-GAJHUEQPSA-N 495.576 5.409 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3cc(C)on3)C2=O)cc1 726421190 LXVZMSWBYSHLBL-NDKFBNENSA-N 498.630 5.033 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@H](C)c1cccs1 726423332 YYNFBFIZDJAMOV-NOYYGAOSSA-N 455.527 5.177 30 20 JKED CCO/C(O)=C1/N=C(C)C(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)=C1C 726571362 VEPHGKZTYDTARP-UHFFFAOYSA-O 496.012 5.528 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(Cl)c2)cc1 726571465 KODQYRARVRQLAB-UHFFFAOYSA-O 497.471 7.379 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)C=C1 726572251 UJNALLMHPSMDKZ-UHFFFAOYSA-O 466.586 5.071 30 20 JKED CCCOc1c(Cl)cc(C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1OCC 726594320 JAGPXFQSDHTVJG-UHFFFAOYSA-N 484.767 6.435 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C\c3csc(N(C(C)=O)c4cccc(Cl)c4)n3)SC2=S)c1 726627437 QGSRCKDJVAVYBE-UDWIEESQSA-N 496.038 5.868 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC(F)F 726627706 SZNOWPFZBZLVKS-APSNUPSMSA-N 452.891 5.227 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(/C=C2/N=C(c3ccc(C#N)cc3)OC2=O)cs1 726909844 WZUDFFYWILDMHR-VXLYETTFSA-N 482.443 5.063 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 727627295 MHKKKOYYCLXKBZ-HNAYVOBHSA-N 473.385 5.143 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 727628148 SKVLDUJHDNMXAV-QHCPKHFHSA-N 492.934 5.541 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C 727848516 NOKZAPOYSVCGTM-VXGBXAGGSA-N 466.419 5.234 30 20 JKED C#Cc1cccc(N(C(=O)CCCc2nnc(-c3ccccc3I)o2)C(C)C)c1 728246979 OOGDSUXHSCBJHS-UHFFFAOYSA-N 499.352 5.087 30 20 JKED Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccc(O[C@@H](C)C#N)cc4)nc(O)c23)s1 728699639 GYFFVRPSIKJKDJ-CHROMADKSA-N 453.976 6.462 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(CCCCC#N)C2=O)cc1Cl 728777345 KIHVYMLRHNLLOS-JOCHJYFZSA-N 499.036 5.620 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1F 728777354 KJKAFGULEFOQAH-LJQANCHMSA-N 492.498 5.499 30 20 JKED C#Cc1ccc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cn1 728805448 ALLGTNYOFAUCBQ-UHFFFAOYSA-N 455.383 5.400 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ncccc3C)C2=O)c1 729634112 IBKULJDBABLMDY-HSZRJFAPSA-N 493.032 5.821 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cocn1 730718633 MRRRBKCBETYUPM-OAQYLSRUSA-N 482.993 5.359 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2ccccc2c1 730726301 ZATMSGMTEZVVBI-MBSDFSHPSA-N 499.596 5.204 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)cc2)c1 731331786 PSNGAVCAWWBLSQ-UHFFFAOYSA-N 489.443 5.286 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 744766358 OWQMPEFEXOYIMN-CLJLJLNGSA-N 474.992 5.190 30 20 JKED C=CCc1cc([C@@H]2NC(=S)NC(c3cccs3)=C2c2nc3ccccc3[nH]2)cc(OC)c1O 747141665 XUEVOIJMHAQCKL-NRFANRHFSA-N 474.611 5.154 30 20 JKED C=CCc1cc([C@@H]2NC(=O)N(CC)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1O 747141841 ZJKLBNWGQZEQNW-NRFANRHFSA-N 489.494 5.147 30 20 JKED C=CCN(C(=O)COC(=O)c1ccc2c(c1)COC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747532259 QFGYMIUHKFWBOZ-UHFFFAOYSA-N 489.380 5.523 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)C(C2CC2)C2CC2)ccc1Cl 747664208 PNYPZIFGGXPAOI-UHFFFAOYSA-N 477.001 5.121 30 20 JKED Cc1nn(C)c2ncc(/C=C3\CC(c4ccccc4)C/C(=C\c4cnc5c(c4)c(C)nn5C)C3=O)cc12 748508585 DMIZSEZLEQNMSE-JTZQCBLNSA-N 488.595 5.481 30 20 JKED COc1ccc(CCC(=O)N2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 750691152 QNOWAPKDFUKYPH-NDEPHWFRSA-N 496.611 5.050 30 20 JKED CCOc1c(OC)cc(/C=C2/CC/C(=C/c3cc(OC)c(OCC)c(OC)c3)C2=O)cc1OC 750901813 XTHYAASRVGODCQ-YZLQMOBTSA-N 468.546 5.348 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc1 821698088 LZVYCKNPOCTMDL-UHFFFAOYSA-N 451.448 5.461 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1C 837299183 DXJYUHHMYODRRG-JPYJTQIMSA-N 476.577 5.559 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840196955 BIADUFBXRCYGMY-DEOSSOPVSA-N 456.571 5.416 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 914548083 ZWOPOECQXJCGCR-NTKDMRAZSA-N 472.614 5.043 30 20 JKED O=C1/C(=C/c2cnc(N3CCCC3)nc2)CC(c2ccccc2)C/C1=C\c1cnc(N2CCCC2)nc1 915043886 CUDAYPMXXQZUBW-CIOBDNPFSA-N 492.627 5.081 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 915085732 ATDRSDDLVJRJJU-XMMPIXPASA-N 453.929 5.458 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103263 RKIOLIXZIXLMNK-ZDUSSCGKSA-N 450.372 5.175 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 916205057 DMKWDQTYOPKICH-KRWDZBQOSA-N 464.374 5.125 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccccn3)C2=O)cc1 916207969 QDRFGCHCAHOGAC-XMMPIXPASA-N 486.597 5.062 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC2)C1=O 916214457 MGNNTSFMTDNODG-GOSISDBHSA-N 477.558 5.133 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916628301 QNRXCMYARGASQQ-PXNSSMCTSA-N 484.408 5.846 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)c2ccccc2)ccc1Cl 916665330 ZTHQVWUTTWIYFT-UHFFFAOYSA-N 454.979 5.388 30 20 JKED Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)c1 916846420 URDPQWZYLSSGDZ-SFHVURJKSA-N 461.587 5.430 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 916912026 YYOUXUPZHNXNOG-GGAORHGYSA-N 475.932 5.047 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S 917485339 LTFHWANUUIMTSQ-UHFFFAOYSA-N 457.603 5.179 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)cs1 917562777 KIDCWNUZCWMEJI-LCYFTJDESA-N 482.483 6.618 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccsc1 917694267 FBRYJMFYCSRWIB-FQEVSTJZSA-N 487.553 5.195 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 918034849 XGPKYDNLFNFJCD-QHCPKHFHSA-N 473.964 5.273 30 20 JKED CN(Cc1ccc2ccccc2c1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918545746 SPTXNVOYBZXDID-AZPGRJICSA-N 478.618 5.097 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)o1 919513492 HTJCXZAMGRLIOR-HHHXNRCGSA-N 498.560 5.123 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cs1 919637396 MJGPGUAITVTQPU-QFIPXVFZSA-N 483.977 5.500 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C2CC2)[C@@H]2CCc3ccccc32)c1=S 919943722 SBFNZBMUYRLDON-QPPBQGQZSA-N 460.603 5.222 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)cc1 920142773 MISAMIGTUJOUNG-DNQXCXABSA-N 481.577 5.036 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)n1 920327663 JFCVWEMDHJSTOO-ZYNFKGNASA-N 454.910 5.529 30 20 JKED COc1ccc(OCc2nc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)cs2)cc1 920365137 NVYPJEWFHKPGQB-UHFFFAOYSA-N 487.610 5.237 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc3[nH]c(C)c(C)c3c2)cc1F 920826655 QEAHFFTUDLTICO-HSZRJFAPSA-N 478.593 5.033 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(COc3ccccc3)c2)cc1[N+](=O)[O-] 920854332 LCLKDQVATDEGJQ-UHFFFAOYSA-N 497.511 5.212 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 920868702 LIGOVGAEVXJMFX-IFXJQAMLSA-N 497.514 5.087 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 928285498 RVALBPKFFZAZKH-KRWDZBQOSA-N 478.574 5.094 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)c3c(C)noc3n2)cc1 928973959 CIIZOFRXTJYERH-FQEVSTJZSA-N 482.540 5.307 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785791256 GKEZPYNHVZFQDF-UHFFFAOYSA-N 453.995 5.488 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1786104435 SYNHXVMAWBCZFH-HSZRJFAPSA-N 493.648 5.146 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc2)CCC1 1786156866 OQTUBHVFZOFUSD-UHFFFAOYSA-N 469.626 5.008 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)cc2)CCC1 1786325001 KJZUBJDDGUNUDK-HSZRJFAPSA-N 483.653 5.560 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cs3)cc2)CCC1 1788675821 ZTSBXUHHGYHSMT-UHFFFAOYSA-N 477.424 5.241 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5ncccc45)cc3)CCC2)c1Cl 1788952172 OSTHIIROGNPKCE-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C[C@@H]1CCc2c(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5Cl)CCC4)cc3)n[nH]c21 1789009892 MMZDCIUWACWGBJ-OAHLLOKOSA-N 473.964 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789626244 GMDSXJFEGAKTRS-HXUWFJFHSA-N 483.653 5.370 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1790512764 CIEIXYGZQNVLBB-UHFFFAOYSA-N 479.964 5.078 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4c(F)cc(Cl)cc4Cl)cc3)CCC2)c1 1790720338 FNCNVMUBEJOIEH-UHFFFAOYSA-N 471.319 5.394 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)ccc1Br 1790745635 RGVWJONQKNDTLU-UHFFFAOYSA-N 498.764 5.629 30 20 JKED CCOc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790764806 LHGPJHXDHBBEQE-UHFFFAOYSA-N 457.505 5.158 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccccn4)CCC3)cc2)c1 1792122482 BALKZXUDYWUMBP-HXUWFJFHSA-N 452.558 5.089 30 20 JKED CSc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124761 HEPTUKJMYBIWQH-SFHVURJKSA-N 470.598 5.492 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3Cl)cc2)CCC1 1792143101 SWYLZWKLLMAWTI-UHFFFAOYSA-N 456.970 5.079 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)C3)c1 1792940459 LUNRESYWVPJUDA-NUNAXRQHSA-N 484.427 5.069 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(OCc3ccccc3)c(OC)c1)C2 1801637583 LAGASJCUMLZADQ-ATPOPXNDSA-N 490.644 5.057 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1802443713 RUKHYFJMBAFUSO-SJWJMTIBSA-N 491.016 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1802498043 UCTJZIASDRPXKW-QPPBQGQZSA-N 465.638 5.593 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)[C@H]1c1cccnc1 1802501335 XFPZUUHCNITZGQ-NOZRDPDXSA-N 472.589 5.049 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1803091155 XTTZCQQTXNYDBP-QPPBQGQZSA-N 451.998 5.131 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccsc2)[C@H]1c1cccnc1)c1ccccc1 1804667006 BAGHXKCZAFIXDQ-WYIWQERUSA-N 483.637 5.060 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)C1 1804868602 LFHMFWURPUNPGO-QFIPXVFZSA-N 491.717 5.149 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)s4)C3)CC2)c1Cl 1808208842 CNWQOGGGMOEHQY-UHFFFAOYSA-N 462.402 5.085 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808542363 ITTATMXYWNUVFO-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1810432513 ZYHVUEBHFUBQOF-CAKYRVLISA-N 491.607 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1810494679 FXAYCHLDUFQVCY-RPLLCQBOSA-N 484.644 5.697 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1810502692 KQOKUHPLTDPKPA-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@H]1c1cccnc1 1811103794 QOWHPTVSJJNJIN-DYESRHJHSA-N 475.420 5.095 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1 1811733766 WFBONWRTRMZGLW-GJZUVCINSA-N 478.612 5.409 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccccc4)CCCC3)[C@H]2c2cccnc2)c1 1811923391 COIGIBZHWLPGSC-LSYYVWMOSA-N 492.623 5.093 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)[nH]n1 1814823639 AXXKPWVEUUDGDJ-MSYCTHLASA-N 468.548 5.252 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)[nH]n1 1814828212 CUVNTSLWFCBLOT-NRFANRHFSA-N 471.001 5.075 30 20 JKED Cn1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)cc2ccccc21 1819385473 VPGSFSAKVSUQQW-QHCPKHFHSA-N 489.696 5.258 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)[nH]n1)c1ccccc1 1819519732 YUPVBANIFLWKDS-UGKGYDQZSA-N 497.521 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)C)nn2CC)n[nH]1 1820352864 NGSISTRBOXSCTB-HXUWFJFHSA-N 454.619 5.048 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)cc1C#N 1823291148 VPGVGLMPVPMFSG-QHCPKHFHSA-N 477.609 5.345 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823749882 ZHJXUHHLIIZTPR-QHCPKHFHSA-N 491.717 5.244 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1823895399 UIYYIMZPUKPDNU-XMMPIXPASA-N 467.972 5.206 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824162363 WOEJCLITGPYCTB-GOTSBHOMSA-N 488.028 5.179 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824246542 QYNBKMJMUICVHS-QGGWEGFYSA-N 477.114 5.552 30 20 JKED C=C(C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1)C(F)(F)F 1824420955 BUPFOVQXHUAOIX-ZDUSSCGKSA-N 485.487 5.387 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc4ncccc34)CC2)c1 1824474370 FVINEAXZLMXPBV-PZGXJGMVSA-N 494.639 5.338 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1824539679 UUXYUXNEWXFCRO-AZUAARDMSA-N 474.564 5.032 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1Cl 1827410379 ZKGWUGLQUWIGEY-FQEVSTJZSA-N 482.005 5.566 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[nH]c2c(Cl)cccc12 1827519746 KZJZETUFFUIDDH-DEOSSOPVSA-N 489.019 5.549 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732879 PEOXLFGWJHUJJQ-QHCPKHFHSA-N 464.993 5.247 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1827804137 XKJURJMLXHYCOS-HSZRJFAPSA-N 458.744 5.341 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828098061 VDCVXYVDLUKPMB-QHCPKHFHSA-N 467.679 5.830 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828216492 BLDIXBHNPUNXSX-QHCPKHFHSA-N 466.622 5.673 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cnccc3nc2C)CC1 1828536468 GZFJRMWLDIKZIY-VWLOTQADSA-N 462.638 5.164 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1828601984 NIBCGUNKKWLOPW-DEOSSOPVSA-N 489.616 5.388 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 1828829507 INOAKFQGCFYEHM-KAYWLYCHSA-N 464.650 5.477 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 1829068484 YUXTXZRFGNMAMZ-IZZNHLLZSA-N 466.666 5.303 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562846 JZQOWPFDRHKROP-MHZLTWQESA-N 481.640 5.643 30 20 JKED CCCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(OC)c3)CC2)cc1 1829676574 MFGZTGWDHDSQJN-MHZLTWQESA-N 473.617 5.066 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c1Cl 1829690339 WXHSCVSLMLXVCH-OAQYLSRUSA-N 493.032 5.368 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)cc1 1830016363 JWTYGTOHOYBKMZ-QHCPKHFHSA-N 487.497 5.263 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1830413456 BFGPSMGQMSRPMA-GCJKJVERSA-N 498.590 5.122 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830416626 KUFGCCRWKOVSCQ-CUNXSJBXSA-N 491.632 5.513 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830531472 HCSSLNOSVQCCAB-QGZVFWFLSA-N 468.413 5.030 30 20 JKED CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC#N)CC2)cc1 1830686587 IOPVJGDCLSHWDR-ATIYNZHBSA-N 495.664 5.207 30 20 JKED Cc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830755364 DEODHLQEHOMXNM-RUZDIDTESA-N 497.561 5.362 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)c(F)c3C)CC2)c1 1830771154 PROIYHBCRJDPAU-DEOSSOPVSA-N 465.544 5.000 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1830794720 FTBYOTLPHNZPKY-MHZLTWQESA-N 495.623 6.169 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Cc2ccncc2)CC1)c1ccccc1 1831102327 VKSXPAFZMQGMDB-RVVSJWLRSA-N 485.672 5.077 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1831853286 QAKZFRTWKWQJDI-FQEVSTJZSA-N 469.840 5.684 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1834465239 YNLTXNLVWWDWRB-YIXXDRMTSA-N 481.725 5.380 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CC1 1836883667 PZSIHMHGRLZYAP-SANMLTNESA-N 498.664 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)CC1 1838373799 LVOQSEIHWVDNRB-DEOSSOPVSA-N 493.673 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@]23CN(Cc2ccccc2)C[C@@H]3C)C1 1841790886 QRJIJSPBLYPOHX-NLVXVLGSSA-N 491.720 5.121 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc3cc(Br)ccc3c1)C2 1844202447 JKOCZHRTRLUWQY-QFIPXVFZSA-N 467.407 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)COc1c(Cl)cc(Cl)cc1Cl)C2 1844355286 XHAMUFNTGMQASG-UHFFFAOYSA-N 473.828 5.221 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 10355344 WMVZOAJCOHOONB-RUZDIDTESA-N 452.583 5.524 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(C)CCC#N)nnc1-c1ccc(Cl)cc1Cl 11023442 HISGSQGGDOGEGS-UHFFFAOYSA-N 460.390 5.014 30 20 JKED C=CCN(C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1nc(-c2ccccc2)cs1 14723751 RJWVJEYKDYNSBF-XDJHFCHBSA-N 493.654 5.042 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)(C)C)cc2)c1 14872052 NFYQHSRESHAOML-UHFFFAOYSA-O 462.595 5.793 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccc(Br)cc1 15247894 XRCKFVYGDHXDCC-UHFFFAOYSA-O 481.222 6.094 30 20 JKED C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16763966 YWLJSWVGIPFNMB-ZDUSSCGKSA-N 472.686 5.985 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 18535876 IOOYRQUFLLKFMO-GFCCVEGCSA-N 464.538 5.602 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2sc3c(c2c1=O)CCC3 21358948 MVVLNNIBTGZTHU-UHFFFAOYSA-N 456.980 5.128 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1cc(F)ccc1F 22730142 BUAIAHNAIPNABQ-UHFFFAOYSA-O 477.512 5.801 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc3c(c2)CCCC3)cc1 22730224 QBSDWUGDSWFIEX-UHFFFAOYSA-O 459.635 5.919 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccccc1C 23338942 VNWICNAULPVDCD-LJQANCHMSA-N 475.643 5.395 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(COc3cc(C)ccc3C)o2)c1 23972425 NCUVNQYHWLNVJZ-HXUWFJFHSA-N 464.591 5.310 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 24034551 VJGIVAHTYLMMTF-RUZDIDTESA-N 477.948 5.119 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1ccc(F)cc1 29845895 YKTMYAGUISTYGU-DEOSSOPVSA-N 488.588 6.059 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 32451796 JMQMJQKACIZNFI-UHFFFAOYSA-N 450.523 5.609 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2Oc2ccccc2Cl)CC1 32822469 GAPKSVRRRAVMMG-UHFFFAOYSA-N 488.931 6.107 30 20 JKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CSc1nc(-c3ccccc3)cs1)CCCC2 33144272 FWPPUEBGSUYJBM-SFHVURJKSA-N 478.643 5.272 30 20 JKED CCOC(=O)c1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc([N+](=O)[O-])c1 71907207 KNPOXQJPGGAWLV-NRFANRHFSA-N 463.877 5.333 30 20 JKED C[C@@H](Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1)c1ccccc1 195687679 JPLYJWAWHDRQPL-OAQYLSRUSA-N 463.606 7.276 30 20 JKED CCOC(=O)C1C/C(=C\c2cnn(-c3ccccc3)c2)C(=O)/C(=C/c2cnn(-c3ccccc3)c2)C1 209719177 IBHARKRIRJPYCI-RNIAWFEPSA-N 478.552 5.067 30 20 JKED N#CC1(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)CCCC1 302930828 FGAQDRQHJWCKMY-UHFFFAOYSA-N 452.630 5.522 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 303120239 IERHRBXVZOQNGZ-UHFFFAOYSA-N 462.509 5.058 30 20 JKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 303210100 QRKKQWBODWPFHU-UHFFFAOYSA-N 453.907 5.673 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)cc2)c1 409921767 KLHCPYNULOMYBW-UHFFFAOYSA-N 497.864 5.642 30 20 JKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 491570713 SVWBUPPCRKUGGZ-SFHVURJKSA-N 472.545 5.209 30 20 JKED COc1cc(-c2nnc(SCCOc3ccccc3C#N)n2C2CCCCC2)cc(OC)c1OC 497691246 BDIVGGJJCMCWGG-UHFFFAOYSA-N 494.617 5.519 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1F 501607666 QYYLMYQSTXRNIP-ZDUSSCGKSA-N 481.380 5.608 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c(C#N)c(C)c1C 503446239 HRNOBUZYLACSQI-UHFFFAOYSA-N 484.625 5.131 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)NCCSCc2ccccc2C#N)cc1)c1ccccc1 511065041 PUOBKCWYKVDZRX-UHFFFAOYSA-N 472.614 5.209 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1 511404239 IWTLKDXPCDURNF-UHFFFAOYSA-N 457.427 5.811 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(N3CCc4ccccc4C3)nc2)cc1OC 512819604 COFLIEFRCGMCGW-UHFFFAOYSA-N 494.433 5.270 30 20 JKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OCC(F)(F)F 513953973 WGGGVQPUGMTVJN-UHFFFAOYSA-N 487.453 5.881 30 20 JKED COc1ccccc1[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)N1CCCC1 514153900 LYLAQWVGMBWRRE-MHZLTWQESA-N 486.591 5.255 30 20 JKED C=CCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1nc(-c2ccccc2)cs1 514337668 OGDNTTFVTLGREQ-UHFFFAOYSA-N 471.611 5.962 30 20 JKED Cc1nc(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[nH]c1Cc1ccccc1 515576566 LVQBUUDSPLGWGZ-UHFFFAOYSA-N 482.609 5.685 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 517080862 QDVOWBXHJZNXER-UHFFFAOYSA-N 492.579 5.162 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2OCc2ccc(Br)cc2)n1 518671472 FXGQYNLCBYXESY-QGZVFWFLSA-N 485.359 5.151 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccccc1SCCC#N)c1c(Cl)cccc1Cl 519438486 MNSBXQDLROVTEX-UHFFFAOYSA-N 450.391 5.032 30 20 JKED C=CCn1c(SCC(=O)N(C2CC2)[C@H](C)C2CC2)nnc1-c1ccc(Cl)cc1Cl 520007887 FZKZGVDVHVAJNK-CYBMUJFWSA-N 451.423 5.320 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 520198885 JPFITEUVYUSDEU-GCJKJVERSA-N 471.582 5.326 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccc(Br)cc2Cl)cc1 520880383 RMNUCAGPUSBQCJ-UHFFFAOYSA-N 484.737 5.021 30 20 JKED C=CCN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 520937879 KMEIXSKIIWRVFE-CYBMUJFWSA-N 450.852 5.116 30 20 JKED Cc1nc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)sc1-c1nc2ccccc2n1C(F)F 521311945 NAQJJDUHDGDSCY-UHFFFAOYSA-N 482.516 5.024 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N(C[C@@H]3CCCO3)c3ccc(Br)cc3)o2)cc1 524380349 ANAONVIPZXUCLR-NRFANRHFSA-N 481.346 5.319 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 603652441 ARUIJRBEZVQROO-UHFFFAOYSA-N 463.925 5.223 30 20 JKED COc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1Br 603693014 SRBDWAMYIUGBLH-CQSZACIVSA-N 467.323 5.399 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)s2)cc1 603829385 OULSXNOJIYAHER-FQEVSTJZSA-N 499.065 5.314 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 603961590 HGQLSXRAGHNITD-UHFFFAOYSA-N 491.922 6.039 30 20 JKED CCc1cc(C#N)c(NC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)s1 604029125 KBDPWONZPFXHIT-UHFFFAOYSA-N 468.376 5.758 30 20 JKED CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 604142365 KBSAKTRFKIHECU-MHECFPHRSA-N 475.976 5.599 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 608840762 CBAVKLSDBPTUTR-HXUWFJFHSA-N 499.958 6.465 30 20 JKED COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCc1ccccc1 608918686 UWYXZTNQSQHNJG-OAQYLSRUSA-N 457.574 5.827 30 20 JKED N#Cc1c(NC(=O)c2ccc(Br)cc2I)sc2c1CCCC2 609033337 IHHMOZAHGGZPOH-UHFFFAOYSA-N 487.160 5.118 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609057911 AMKDZVRLKWFTOA-SFHVURJKSA-N 483.499 5.613 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 609080073 PMYGKFIRSDSDDC-LBNVMWSVSA-N 469.585 6.077 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cs2)cc1 609104124 OSLNGARRMIABIO-UHFFFAOYSA-N 487.556 5.802 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCc4cccnc4)cc3)cc2F)c1 609104793 OTRXZGMSRYVMRC-UHFFFAOYSA-N 453.473 5.503 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609254995 PYPYPAOGJNGYEE-OAQYLSRUSA-N 483.568 5.015 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404448 NMKNZAZSZLSZLE-OAHLLOKOSA-N 485.512 6.143 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 623527640 VLBCKTHIKFZLFK-UTUOFQBUSA-N 496.439 7.191 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1Cl 726409086 MQXNAVKYYRUARK-FQEVSTJZSA-N 482.924 5.104 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1Cc1cccs1)c1cccs1 726415172 FLAFCCHZZMJTEH-FCJOQIBNSA-N 499.639 5.098 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 726415404 KTXFBEPFXRKNFN-QFIPXVFZSA-N 499.539 5.506 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726565760 SYBZLTUDWIWUHH-UHFFFAOYSA-N 493.579 5.851 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 726854543 OMNFAFUIHPDVDT-RPWUZVMVSA-N 479.502 5.957 30 20 JKED CC(C)C[C@H](C)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc2[nH]ccc2c1 726916532 XQFLZNJQWUSBJK-IBGZPJMESA-N 451.592 5.327 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1C 728421482 VUXUYYZRCDFJJR-YADARESESA-N 483.597 5.292 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 728424858 BGQGEWVPZSBAEA-HXOBKFHXSA-N 487.560 5.122 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CC2)ccc1Cl 728534152 PWNIIDMYKKAULI-FQEVSTJZSA-N 479.429 5.389 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CCCCC#N)C2=O)cc1 728780443 TYROCQWGZGWPFZ-VWLOTQADSA-N 498.608 5.697 30 20 JKED CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729552782 KWTCSZFUWQJRKZ-ISKFKSNPSA-N 483.490 5.264 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cc3ccccc3o2)C1=O)Nc1cnccn1 730720695 TYXYDYBWMZVFSJ-HXUWFJFHSA-N 491.960 5.037 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730944241 ULUVJVOTCJSCFL-HTAPYJJXSA-N 462.550 5.251 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1ccccc1 731068777 CPTIJBZIHKDROU-GOSISDBHSA-N 462.575 5.185 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1cccc(Cl)c1 731071998 YEBDJKLMRNLLKU-KRWDZBQOSA-N 497.020 5.839 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731075215 XFTZSJVGOJXLHW-HNNXBMFYSA-N 483.590 5.229 30 20 JKED Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(F)c2)cc1 731078874 RDIRLFBZNGGYOR-SFHVURJKSA-N 462.546 5.848 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)nc1C 731225271 WGCUFAKLDLIQER-UHFFFAOYSA-N 499.625 5.290 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)s1 731310916 SLZIRHFHODUAJI-QVKFZJNVSA-N 483.590 5.623 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 742504710 IFXBMSFPOKQQHY-AREMUKBSSA-N 489.616 5.389 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1=S 742558270 LOSSHWLVXNNFCX-QHCPKHFHSA-N 497.709 5.260 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccn2)ccc1Cl 743722595 SPFQODJQWAPBRX-INIZCTEOSA-N 490.412 5.261 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 746243179 BGOXCSIHSQNBRF-UHFFFAOYSA-N 463.946 5.680 30 20 JKED CC(=O)CCc1ccc(OCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 747022082 VBNDLSUNTMFYKB-NRFANRHFSA-N 452.963 5.630 30 20 JKED O=C1/C(=C\c2csc(-c3ccccn3)n2)CN(CC2CC2)C/C1=C/c1csc(-c2ccccn2)n1 747319411 VXTRNIXCMWGHHP-YZLQMOBTSA-N 497.649 5.485 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCc3nccs3)C2=O)c1 747599529 KDIUEMXYKPFSLP-FQEVSTJZSA-N 482.606 5.102 30 20 JKED CCCc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccccc1Cl 749049439 RSOUKLTWRDGJRV-ZDUSSCGKSA-N 476.751 5.141 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N(C)C(=O)OC)cc1 749333379 MWFBKKFJPWYCCU-UHFFFAOYSA-N 450.308 5.011 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Cl 751086910 MENFMIYFKQWLAQ-SFHVURJKSA-N 470.710 5.918 30 20 JKED C=C(C)CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)SC1=S 814292171 PKVVSKMYNBALMK-YBFXNURJSA-N 459.976 5.345 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 837361893 BGZUZZZZNQTYID-CYFREDJKSA-N 488.613 5.429 30 20 JKED Cc1cc(S[C@@H](C)C(=O)OCc2csc(-c3ccccn3)n2)n2c(nc3ccccc32)c1C#N 841673594 WOLAWGVEUIUHTE-INIZCTEOSA-N 485.594 5.410 30 20 JKED Cc1cccnc1C(F)(F)C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 857488231 RNOFMKAUJNHWRR-OAHLLOKOSA-N 468.344 5.120 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 899915398 USGAYOFNSZWQRC-QMTYFTJSSA-N 472.570 5.111 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913119040 HNCHBKSQUFBFNS-IBGZPJMESA-N 493.416 5.322 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 915102294 VQYRFRJDRYOONA-YLJYHZDGSA-N 467.953 5.331 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S 915795966 OTQOURJNWXZOTM-UHFFFAOYSA-N 460.994 5.492 30 20 JKED Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=S)Nc1ccccc1C#N 915994016 BEMCGSLUJDIFGN-UHFFFAOYSA-N 456.980 5.130 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O 916205139 HGQCAKYLYDENDQ-NRFANRHFSA-N 498.967 5.043 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(OC)c1 916206867 UAFDXILFJBRNPB-SFHVURJKSA-N 465.497 5.084 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1C 916207758 KOIKLSJQNJIRQZ-GOSISDBHSA-N 480.417 5.217 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2ccccn2)c1 916207815 MFPYFBCZIVSUDH-OAQYLSRUSA-N 498.530 5.569 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2)cc(Br)c1OCc1ccccc1 916307864 VBMYZEXOOWBHPO-UHFFFAOYSA-N 495.402 5.466 30 20 JKED COc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OCc1ccc(F)cc1 916310864 NYKYEGSZJKFJQC-UHFFFAOYSA-N 499.567 6.042 30 20 JKED COc1ccc(OCc2nnc(S)n2N=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)cc1 916313144 CEOMESDLCJEKCH-UHFFFAOYSA-N 496.596 5.198 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(N5CCOCC5)c(F)c4)c23)cc1 916357415 PHKXECUONRZTQL-UHFFFAOYSA-N 477.565 5.179 30 20 JKED Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)sc21 916888323 VXRWMDWKFPYYNV-INIZCTEOSA-N 455.511 5.669 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916906164 GMFPIWRZSXAKLJ-QHCPKHFHSA-N 454.530 5.417 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 916917497 HIMCCZVMXGSKNQ-FQEVSTJZSA-N 481.512 5.249 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916926079 ZOWLLRDNHZPRBP-FQEVSTJZSA-N 496.350 5.606 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cn(Cc3ccccc3)c3ccccc23)c(OC)c1 917031171 XDYWSDIZABOTTO-UHFFFAOYSA-N 469.570 5.136 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043297 KDJDLWUBVBHPAC-OAHLLOKOSA-N 474.895 6.012 30 20 JKED CCCN1C/C(=C/c2cnc(-c3ccccc3)nc2)C(=O)/C(=C\c2cnc(-c3ccccc3)nc2)C1 917143906 WUIFWUJPIXIKCB-JUZYOEKXSA-N 473.580 5.362 30 20 JKED COc1cc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1Cl 917564029 VADOPMLJGMPEBY-JXMROGBWSA-N 456.951 5.703 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3F)C2=O)cc1 917703488 NESOJUXHOWBZSA-HSZRJFAPSA-N 472.545 5.166 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-c3cnco3)c2)c1 918652044 WVSMYUWQTVFURM-UHFFFAOYSA-N 493.972 5.629 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccc(Cl)s2)n1 920108724 YVDKNRSVQAHCJK-NSHDSACASA-N 469.947 5.801 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@H]2c2ccccc2)c1 920353254 FHBJEBXREPKBQC-NZJKTDFXSA-N 491.657 5.072 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@@H]2c2ccccc2)c(C)c1 920353310 GXMSBBUQTSGHDR-BBVWWWHTSA-N 491.657 5.072 30 20 JKED COc1cc(C=NOCc2coc(-c3ccc(Br)cc3)n2)cc(Cl)c1OC 920486112 PLJWRQYIJJADSH-UHFFFAOYSA-N 451.704 5.325 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 920871764 XRSMBMPGTRCVOD-UZUQRXQVSA-N 467.635 5.163 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(Cl)cccn34)CCC2)cc1 1785842134 PCJCGIJASRVRGI-UHFFFAOYSA-N 464.997 5.728 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3Br)cc2)CCC1 1785958625 QWEUXWIPECPYHA-OAHLLOKOSA-N 490.373 5.137 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3F)CCC2)cc1 1786546676 SERFPUXNQZAGJB-QFIPXVFZSA-N 499.558 5.182 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CNc4ccccc4C3)cc2)CCC1)C(F)(F)F 1788067196 HOYYGDKNEQZHSY-SFHVURJKSA-N 471.523 5.304 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3)cc2)CCC1)c1ccc(O)cc1 1788463471 OSXMLXHIQBGYFI-OAQYLSRUSA-N 492.579 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)C[C@@H]21 1788735197 YPYVVMVOTSSNCD-FUDKSRODSA-N 489.616 5.014 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1 1789256805 AGISHIBCTMPHFV-OAHLLOKOSA-N 455.605 5.511 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)CCC2)cc1 1789455135 LNSIBRFRLVHMLL-WWNPGLIZSA-N 499.627 5.236 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1789577611 MOBQKMBNCAMGJT-KKMKTNMSSA-N 492.988 5.410 30 20 JKED CSc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1O 1790067578 BOSNOGRYVDTJGT-UHFFFAOYSA-N 471.582 5.242 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5c(F)c(F)ccc5c4)CCC3)cc2)c1 1790258971 ZYUXKCQDGMDOBY-UHFFFAOYSA-N 482.490 5.446 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CCC1 1790278393 SZYZSAMDXODLQP-UHFFFAOYSA-N 460.496 5.436 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)ccn4)CCC3)cc2)cc1 1790289610 FYYYVLZDKURAHX-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791250533 TYWZKPKAWUNKGK-VXKWHMMOSA-N 497.680 5.760 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791252153 JGUKQLYBHDDXBA-RZFJCUDFSA-N 483.653 5.416 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)cn4ccccc34)CCC2)cc1 1791577568 PVHHUZNGHYJWEG-IBGZPJMESA-N 469.610 5.672 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@]4(F)Cl)cc3)CCC2)cc1C#N 1791674895 CHYLTJSANGRDKF-CJFMBICVSA-N 469.944 5.018 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)c(OC)cc4o3)CCC2)cc1 1792267514 XSUVCMSKWXACLL-UHFFFAOYSA-N 495.373 5.365 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Sc1cccs1)c1ccccc1 1798282055 YPTBXKIJJAUAMP-IFPLKCGESA-N 466.672 5.064 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1-c1ccccc1 1799023271 NNYUHAGXISEFRT-BKFWDETESA-N 473.693 5.052 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1F 1799707145 FYBFHOPRDIFIKT-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Br)cc(C(C)C)c3)[C@H]2c2cccnc2)C1 1802412841 OAPMHUCLTGQURD-CYFREDJKSA-N 496.449 5.253 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)c4c(nc3c1)CCCC4)C2 1802629645 PADAKMIDPPTFJQ-WKCHPHFGSA-N 478.036 5.212 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccccc3)CCCC2)[C@H]1c1cccnc1 1802868422 ISVGQHAAWVTQQI-AHKZPQOWSA-N 471.645 5.368 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(-c5ccccc5)n5ccccc45)CC3)C2)C1 1804779623 ZCBSYUXMLLJEBW-UHFFFAOYSA-N 467.613 5.417 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808160898 YLATXTJAMCXFNG-HTAPYJJXSA-N 486.950 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1810173996 XPADJVAGQLAZML-SKVJQKLOSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@H]1c1cccnc1 1810501174 AFADKCJBVXHHNG-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@@H]1c1cccnc1 1810503683 UGSLMEYMCOBSGN-TVNLQBFESA-N 485.550 5.211 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)[C@H]2c2cccnc2)c1 1811943813 GZJHLJJTSCMYMA-QNWDWTFCSA-N 472.633 5.044 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@H]1c1cccnc1 1812588028 YIWZAAJLAYOONQ-JLMWRMLUSA-N 476.543 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1812958727 AGSSVQZUDHOLPC-URORMMCBSA-N 477.624 5.435 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)[C@@H]1c1cccnc1 1813058682 RSAOGLNISFIIPD-BKMJKUGQSA-N 490.003 5.210 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1 1813220916 IBMGYNOCJLTJNB-LEAFIULHSA-N 471.645 5.101 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c1 1813868862 SJRUFCWNZOZIKZ-MVCUUDKNSA-N 478.596 5.219 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1814567679 QLXGIJXREHSKHJ-GOSISDBHSA-N 465.941 5.179 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)[nH]n1 1814828508 NLGKRDYANYDZTJ-QFIPXVFZSA-N 459.550 5.139 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](CC=C)C(=C)C)n[nH]1)NC(=O)OC(C)(C)C 1819311130 NAIWYUYFNCXFTM-TUNNFDKTSA-N 499.656 5.030 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(C)C)cc3)n[nH]2)c1 1820595707 TZTNXHPEMLOBEF-DEOSSOPVSA-N 471.561 5.033 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)n[nH]2)cc1 1821082951 GDPLPYIJXTZSSV-FQEVSTJZSA-N 485.441 5.059 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1821147917 QFWLFYWXFZDPOM-HSZRJFAPSA-N 471.561 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3cc[nH]n3)cc2)n[nH]1 1821231770 IMFMUNKRFRDWSS-JOCHJYFZSA-N 460.582 5.098 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3sccc3F)[nH]n2)cc(C(F)(F)F)c1 1821308703 BFROZCZOQZMFJX-KRWDZBQOSA-N 491.470 5.120 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821564058 CYIZYYQIMBBYAI-HSZRJFAPSA-N 477.996 5.686 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)[nH]n1 1821924418 BOVUYIQMPCNJKS-VLIAUNLRSA-N 498.425 5.480 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)n[nH]1 1822288689 RJUJUFDNSUQRON-CTNGQTDRSA-N 462.516 5.192 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[nH]n1 1822582689 UHHLGOURCGIIFW-AVRDEDQJSA-N 488.554 5.504 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823216818 BRFHPTVDSOWLAK-OPAMFIHVSA-N 491.979 5.318 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c1 1824053398 WJJSQDIQIGAGKJ-QFIPXVFZSA-N 470.038 5.139 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1824143869 SUHUZHHTOKIBQN-XMMPIXPASA-N 473.608 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](C)Oc2ccccc2)CC1 1824144907 MABQCMCNTHLWRO-BKMJKUGQSA-N 452.639 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)CC1 1824424397 RZRDKPMBPKNXIN-UIOOFZCWSA-N 466.666 5.303 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1824542071 RUCHUXHSKGSGCW-UYAOXDASSA-N 475.457 5.320 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1824961096 HTZOQFWXZLVACQ-FQEVSTJZSA-N 494.583 5.020 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c1Cl 1825857184 SFFDIIFVKULSTJ-GOSISDBHSA-N 476.429 5.474 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828167208 ZQGGFNLRLKOFKZ-WZONZLPQSA-N 454.014 5.334 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(cnn3C)c2)CC1)c1ccccc1 1828308249 YIUDTBZHWXODKD-PXJZQJOASA-N 496.655 5.004 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1828339182 JDYZFEWXQHROCQ-NRFANRHFSA-N 464.984 5.203 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828515864 YOMIWECMGRWIAT-NBGIEHNGSA-N 469.576 5.448 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828745393 SGDWUVGOCQZRNP-HXUWFJFHSA-N 463.956 5.266 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1828829481 IJUZQUGGKRHEPX-ODAXIHTASA-N 468.604 5.743 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1828905314 NMFJCVWYNHBTLN-MHZLTWQESA-N 489.736 5.519 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnn2-c2ccccc2)CC1 1829066515 HENAOUCONIZMBY-DEOSSOPVSA-N 462.638 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1829067245 GLTDXQCVILEWBO-VNNZRSTGSA-N 491.720 5.977 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829491680 DFWORLJJAWKSEP-LSYYVWMOSA-N 471.645 5.750 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)CC1 1830379631 VLMBEXIJCPAOGD-SVBPBHIXSA-N 496.692 5.415 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1830414224 JFRSNNDXGLSXPS-LAUBAEHRSA-N 473.614 5.075 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(CCCCC)cc2)CC1 1831751179 WOCKEVQHMHDZMZ-MHZLTWQESA-N 496.692 5.091 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1 1832631034 QXXRDDNEOSSLCS-AVRDEDQJSA-N 475.555 5.280 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633038 DLWUMMDBXGWOQG-IDISGSTGSA-N 475.608 5.237 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832703122 BUNBIBQNZVXWFX-SANMLTNESA-N 473.617 5.201 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)cc(OC(F)(F)F)c3)CC2)CCC1 1832785153 JXYUQQCEHVYOPC-FQEVSTJZSA-N 497.945 5.166 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1835457272 HAZVDHUAOPYDGW-DQEYMECFSA-N 486.100 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)COc3cccc4ccccc34)CC2)CC1 1837069743 UNQZAXAZLQVWNF-UHFFFAOYSA-N 492.660 5.210 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)CC1 1838776984 OKSSSDJUCYTZME-DNVJHFABSA-N 479.665 5.142 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(-c3ccccc3)nc3ncccc13)C2 1841057701 QDHTUMOUTRTADC-UHFFFAOYSA-N 468.601 5.106 30 20 JKED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cc4cccc(F)c4s2)C3)cc(C(F)(F)F)c1 1845513506 ULSJFAWPRITSRO-UHFFFAOYSA-N 487.478 5.062 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1Cl 9023585 ILVLYJAIMRAMPF-UPCLLVRISA-N 484.025 5.131 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1OC 10242735 QODRVWZNIVJROX-GOSISDBHSA-N 458.587 5.262 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)n(C2CCCC2)c1C 10410723 YWMGLRDGZOCPIY-UHFFFAOYSA-N 489.645 5.648 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 11159092 VOLPURLJZUYWOX-UHFFFAOYSA-O 474.433 6.335 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(Br)cc1 20067030 RHRTXGULHCZKRF-AWEZNQCLSA-N 468.380 5.797 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nnc1[C@@H]1COc2ccccc2O1 23422819 IEPQPUWDWSUPLA-NRFANRHFSA-N 478.599 5.401 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 23604296 LXSVHSIJCFSLSH-UHFFFAOYSA-O 450.628 5.666 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 26820778 IMKPFKYPBYCUBU-AWEZNQCLSA-N 485.631 5.548 30 20 JKED C[C@H](NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(C#N)cc1 31435497 PZWQBFNOPMNNEK-JKSUJKDBSA-N 474.611 5.022 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 32787481 VLJGFCXPJITYSL-HZPDHXFCSA-N 475.445 5.720 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 32787638 NTBMTMZAQRNRSP-JKSUJKDBSA-N 477.659 5.331 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 45493178 SWQPIPKYIJBXRZ-SECBINFHSA-N 467.822 6.072 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 105447075 DEQKCEOETWYBAK-UHFFFAOYSA-N 478.570 5.030 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)n1 115498164 PAOPIGZTXWCGQO-UHFFFAOYSA-N 480.615 5.489 30 20 JKED C=CCOc1c(Br)cc(CNCc2cc3c(cc2OC)C[C@@H](C)O3)cc1OCC 195569407 ATPGSIRUCZPHCR-OAHLLOKOSA-N 462.384 5.034 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 216191958 ZVIBUYVBPHPANF-DEOSSOPVSA-N 462.500 5.054 30 20 JKED C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)CCc1ccc(C#N)cc1 253591259 LFXIVRAJPZGVEE-JPYJTQIMSA-N 453.973 6.361 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)o1 303221447 UXZFSGUUDLTYJN-UHFFFAOYSA-N 468.947 5.639 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 303329472 JGNAVWXBRAFNMJ-AKVXTMBTSA-N 487.669 6.166 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 409536800 KZZARJVZXOBWMJ-SFHVURJKSA-N 473.602 5.112 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc3ncccc3C#N)cc1C)O[C@@H](C)C2 409793301 KZRJUCPWAGDQLQ-JWNTYJGQSA-N 469.541 5.518 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1SC 484331213 GCJSBUBQGMCGRI-UHFFFAOYSA-N 467.478 5.167 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CSCc3cc(-c4cccs4)on3)c2)cc1 488836697 JCJKTMWYMRACJR-UHFFFAOYSA-N 475.595 5.920 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 490747704 ULSHNJXEBRTNMA-CJAUYULYSA-N 459.521 5.230 30 20 JKED CCOc1cc(Br)c(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC 500227585 HBRJMWXUQMUCDX-UHFFFAOYSA-N 463.397 5.240 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 500544842 OFXXGRJAYHMRPU-UHFFFAOYSA-N 482.506 5.247 30 20 JKED N#Cc1ccccc1Oc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 507772328 HTBUVKPBYGWUBS-UHFFFAOYSA-N 466.522 5.611 30 20 JKED O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1nnn(-c2ccccc2F)c1C(F)(F)F 508768224 GKTCPTPDMNATPT-UHFFFAOYSA-N 491.348 5.186 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)[C@@H](C)c1ccc(C#N)cc1 509576793 YPZKOFRBAIMLEW-IBGZPJMESA-N 451.526 5.709 30 20 JKED C=CCN(Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1)Cc1cccs1 510859699 MNSVWMPQMLBQCB-UHFFFAOYSA-N 451.539 6.096 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NCc3ccccc3-c3ccc(Cn4cccn4)cc3)CC2)c1 511016545 ODJYHRTUONUNBM-UHFFFAOYSA-N 491.595 5.223 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)cc2Cl)cc1 511610245 DPZQJJRQRKPUQH-UHFFFAOYSA-N 484.825 5.251 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)nnc1-c1ccc(Cl)cc1 515680051 AELLTXHWXRDVKL-KSFYIVLOSA-N 495.052 5.657 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 516700395 QARACABJPYGMIE-UHFFFAOYSA-N 451.526 5.536 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OCC(C)C 516748592 UCKKOVDZLDXIPX-LJQANCHMSA-N 487.556 5.210 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl 517422795 HFCZVNFPGGGQHL-JOCHJYFZSA-N 498.936 6.264 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)[C@H](C)c1cc2ccccc2o1 517794135 JSGCQHBUTQCYLM-LJQANCHMSA-N 482.540 5.739 30 20 JKED Cc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(Br)cc1 518140276 JKHXYWLNKGYPKI-CQSZACIVSA-N 455.381 5.447 30 20 JKED C=CCN(C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 518258888 AWSOJLCHJJTGKF-VXKWHMMOSA-N 482.588 5.892 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)O[C@H](C)C2 519384304 MZCFQWZEFMLXRT-BNAYCWRJSA-N 497.595 5.731 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 519451156 RNEAIMRTUPNXTC-PZJWPPBQSA-N 467.635 5.975 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 520136862 AAIHCXDJRGRSFZ-BGYRXZFFSA-N 490.604 5.199 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Br)ccc1OC(F)F 520197375 CXWPVYAUROIBJR-GFCCVEGCSA-N 470.339 5.766 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc4ccccc4c3C(F)(F)F)n2)cc1 521553117 UFJPDVBPBLFSIK-MRXNPFEDSA-N 453.445 5.876 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 521697221 ZMORAMACCHOKGT-DEOSSOPVSA-N 473.508 5.223 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 521768352 FZYOLAZHMPQYFL-INIZCTEOSA-N 450.322 5.471 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 521806834 SVSSYPDVBGVLJL-UHFFFAOYSA-N 450.464 5.337 30 20 JKED CC(C)C(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 523200757 NOZQRYJRXOOHBP-XMSQKQJNSA-N 452.986 5.012 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1 523950465 OEHDDSLMQXTPIY-UHFFFAOYSA-N 465.534 6.183 30 20 JKED N#C[C@H](C(=O)c1occc1CN1C(=O)Cc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 590880746 PVWKXVOMQIIJLN-MRXNPFEDSA-N 481.455 5.487 30 20 JKED CC(C)c1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cnn1-c1ccc(Cl)cc1 603507185 VUQKWIXVLUHSBC-UHFFFAOYSA-N 495.033 5.917 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 603591085 FQZXYKVYPZMIOK-UHFFFAOYSA-N 466.463 5.072 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)CC1 603648905 YQIZZXOLIMDDSZ-UHFFFAOYSA-N 496.552 5.437 30 20 JKED CC(C)OCc1ccccc1CNC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603904413 GOVCYNFBYGSKNN-UHFFFAOYSA-N 461.587 5.035 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)c2)c1 603995838 NXBWOUOTVIOIEN-UHFFFAOYSA-N 493.420 5.406 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccs1 604089507 BZNRBRZCZPRWPC-SFHVURJKSA-N 455.923 5.491 30 20 JKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604522908 VBMNIEFJCSURAU-CUBQBAPOSA-N 469.585 5.963 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc1 608777894 MANKCJTZNNTNNK-UHFFFAOYSA-N 473.485 5.119 30 20 JKED CCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C(=O)Nc1cccc(N2CCCC2)c1 608785048 RCVGQRONWVNPFG-VWLOTQADSA-N 498.587 5.275 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1-c1ccc(F)cc1 609104177 AGAQEIJMNXZWAJ-UHFFFAOYSA-N 472.495 5.977 30 20 JKED CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609176555 QJLUWBLGPOZMSY-SANMLTNESA-N 496.592 5.389 30 20 JKED N#Cc1ccc(S(=O)(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c(C(F)(F)F)c1 609198597 ZMRZFLOUYPWBIS-KRWDZBQOSA-N 481.496 5.196 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 609213522 RTKWRBCESHPMAO-INIZCTEOSA-N 454.527 5.625 30 20 JKED Cc1csc(Sc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2[N+](=O)[O-])n1 609377083 OCKHRGQRHIALBL-CYBMUJFWSA-N 470.601 6.015 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 609437839 SWQCQUULUOFKKI-SBUREZEXSA-N 463.990 5.579 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319638 KCXCHCKGQKOXBQ-SFHVURJKSA-N 483.778 5.902 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1nc2ccccc2n1C(F)F 613404371 PAHKPRWNWZURQM-GOSISDBHSA-N 473.508 5.861 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC2)cc1 615225937 GLNWJHKMUGMKJC-UHFFFAOYSA-N 478.536 5.059 30 20 JKED CCOCCCn1c(NN=C(C)c2ccc3c(c2)Nc2ccccc2S3)nc2ccccc2c1=O 725842354 OWOGFNGQDSIGQX-UHFFFAOYSA-N 485.613 5.867 30 20 JKED COc1cc(C=Nn2cnc3ccccc32)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 725849388 GGYBGQMONDXDQF-UHFFFAOYSA-N 476.341 5.002 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1CC[C@H](C)OC 726393455 OYKGUAMPGHSWMA-KKSFZXQISA-N 490.025 5.042 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC(C)C)cc1 726416184 SEHHWVIFNXUACX-AUSIDOKSSA-N 483.634 5.025 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC)c(F)c3)N(Cc3ccccc3)C2=O)c1 726416977 WEIJGBPODCAIKM-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cc(Cl)ccc1Cl 726571467 KRLUGIRUGHIEFJ-UHFFFAOYSA-O 491.807 6.143 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC)c(Cl)c1 726893189 YREUMZZRUBTFTA-FQEVSTJZSA-N 459.999 5.336 30 20 JKED C=CCN(C(=O)COC(=O)c1ccc2ncoc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 727196751 WNOHRGSUNNQOAK-UHFFFAOYSA-N 488.352 5.634 30 20 JKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 728409769 SOXKVUGXLNTXOY-UTKZUKDTSA-N 483.593 5.510 30 20 JKED CCOc1cc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)ccc1O[C@@H](C)C(=O)N(C)C 728441046 CFAPGEJRFNREKW-MOJYJUKOSA-N 482.577 5.408 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(CCCCC#N)C2=O)cc1 728776956 HLEBZSAIPDNLIZ-NRFANRHFSA-N 469.010 5.611 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)cc1 728778668 FANHTWGXUOJLFW-QFIPXVFZSA-N 493.589 5.120 30 20 JKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCSc2ccc(Br)cc21 729036347 OFOKSJJFCIBQLQ-PKTZIBPZSA-N 492.442 6.805 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)c(C)c1 729142359 KMMCSOMDJZSNCD-OAQYLSRUSA-N 489.626 5.101 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1Cl 729320445 XUBAKKWVCFISGS-JOCHJYFZSA-N 460.921 5.756 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)cc1 730715100 BOFQWSKECWWOQQ-DEOSSOPVSA-N 490.629 5.795 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730720642 SQLJVXCIVOUEKT-QFIPXVFZSA-N 490.972 5.642 30 20 JKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3ccc(OCc4occc4C(=O)O)cc3)c(=O)oc2c1 730949067 QYDYXNCGYFASIG-GHXNOFRVSA-N 487.508 5.406 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 731067020 MEILDDGOTJHBMK-INIZCTEOSA-N 494.594 5.376 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c(C)c1 731309047 RYSSNYQWZVYSIG-DEOSSOPVSA-N 495.645 5.319 30 20 JKED O=[N+]([O-])c1ccc(NN=Cc2ccnc3ccccc23)c(S(=O)(=O)Nc2ccccc2Cl)c1 731314534 HGEUBPGXGRMKMG-UHFFFAOYSA-N 481.921 5.043 30 20 JKED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 746345325 DOTNQVRTWVIZSC-DHZHZOJOSA-N 456.373 6.536 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)ccc1SC 746488611 JLMRUSJDJMXGCB-UHFFFAOYSA-N 455.392 5.065 30 20 JKED C=CCN(C(=O)c1cc2ccccc2oc1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747544603 PKXVNWWYOIXHQL-UHFFFAOYSA-N 457.338 6.056 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 749469868 LUBKSIAEJKJUCB-UHFFFAOYSA-N 495.358 5.248 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(SC(F)F)cc1 799210145 ODXNJRBQPYRHEL-INIZCTEOSA-N 453.511 5.121 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)c(C2CCOCC2)n1 856687762 QMOFLLWGPYAODJ-UHFFFAOYSA-N 481.021 6.287 30 20 JKED N#CCCn1ncc(-c2nc(-c3cc(Br)cc(Br)c3)no2)c1-c1ccccc1 904914971 CSGFRZHTNZKSPF-UHFFFAOYSA-N 499.166 5.706 30 20 JKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 914955649 BCBARFHETLBZJJ-MSOLQXFVSA-N 490.560 5.107 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1csc(-c2cccs2)n1 915466894 HBCULYVUFNVAHN-UHFFFAOYSA-N 479.377 5.027 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(C[C@@H]3CCCO3)C2=O)cc1 916206670 RJBJYEKQFHOXRH-BJKOFHAPSA-N 493.629 5.152 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)c1 916210742 IAAABNREYBBMLZ-RUZDIDTESA-N 486.641 5.518 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CCc3ccccn3)C2=O)c1 916217040 CJUJBMOZGULSEM-DEOSSOPVSA-N 486.641 5.518 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc12 916883359 JVPBUEBZISRZFS-GOSISDBHSA-N 482.537 5.671 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916910626 TZQATZLGPGSTGJ-GOSISDBHSA-N 492.375 6.478 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916928747 SOFNGNNTSYZIPT-MRXNPFEDSA-N 473.385 5.236 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 916951429 YEHYMIQPLWGCSZ-LQBOVUBWSA-N 497.542 5.001 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 916955956 WCJVOXKTCSIEDR-FOIQADDNSA-N 477.586 5.610 30 20 JKED COc1ccc2c(c1)C[C@@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CO2 916997290 VETFBPDMKUERLB-CXAGYDPISA-N 459.354 5.553 30 20 JKED C=CCN1C(=O)N[C@H](c2ccc(OC(C)C)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 917375545 GCMQBVKNXLUJGF-JOCHJYFZSA-N 473.495 5.658 30 20 JKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1Br 917559512 KUNIBUJKZXZVDM-JXMROGBWSA-N 471.376 5.803 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc3ccccc23)n1 917652432 ANPQQDBTVOXYGQ-DEOSSOPVSA-N 499.571 5.238 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccsc2)C1=O 917669946 XTVXNUBVRCODNK-OAQYLSRUSA-N 465.600 5.226 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)cc1 917683298 VBZWQBSPJLRZBK-HSZRJFAPSA-N 454.555 5.027 30 20 JKED CCOC(=O)Nc1ccc2c(CNc3cccc(OCc4cccc(C#N)c4)c3)cc(=O)oc2c1 917932180 ZEEHHBLRRZRUKX-UHFFFAOYSA-N 469.497 5.424 30 20 JKED CCCOc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)CO2 920069643 XJUQNCCOHJYOSI-OQLLNIDSSA-N 470.497 5.553 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(F)cc2F)no1 920354450 CYHPLWXHRYXTHM-LJQANCHMSA-N 490.919 5.075 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 921249998 VCTJUDRYABZQHS-UHFFFAOYSA-N 470.554 5.008 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C)oc3c2)ccc1Cl 933544519 PZRZIVVYLBRJOQ-UHFFFAOYSA-N 481.961 5.423 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1786367325 KGOSLZDTVOHSNK-UHFFFAOYSA-N 477.992 5.619 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1)C(F)(F)F 1786576987 YORCGCBOAWLAIY-LJQANCHMSA-N 495.542 5.029 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c(C(F)(F)F)o1 1787398491 UZXMQRZXSVSLGG-UHFFFAOYSA-N 485.437 5.679 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)cn4)cc3)CCC2)cc(C(F)(F)F)c1 1788200513 TWLHDEQFMWVQMB-UHFFFAOYSA-N 496.464 5.102 30 20 JKED C[C@@H](Nc1nccs1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1788621568 HJPWESWNRINVMO-ZWKOTPCHSA-N 473.602 5.018 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2)CCC1 1788786740 XFSGGNXRROEPPH-IBGZPJMESA-N 457.496 5.617 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)COC5)cc3)CCC2)c1 1789038238 WKBDYUPZBQOERR-LJQANCHMSA-N 465.553 5.405 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C=C/Sc3ccc(C)cc3)cc2)CCC1 1789490395 PCLVDRKOPNCXAW-HMMYKYKNSA-N 464.631 5.718 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789995844 SXLFDFYIABEVRS-IBGZPJMESA-N 498.583 5.977 30 20 JKED CC(C)(C)OC(=O)CCCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1 1790148040 BAPRXNDHGVGYTK-UHFFFAOYSA-N 492.620 5.316 30 20 JKED COc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)c1 1790258258 XNJJTRSAXWOESX-NTEUORMPSA-N 451.526 5.028 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790592699 PGBKKIZZUYCMPY-HXUWFJFHSA-N 455.558 5.087 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c(C)n1 1790767717 HKIVRIHSQIQDFF-UHFFFAOYSA-N 458.949 5.285 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCC2)cc1)C(F)(F)F 1791305633 XHBYNJVMRZGMRO-LJQANCHMSA-N 497.558 5.178 30 20 JKED Cc1ncc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)s1 1791839536 QMEGVKUNEOQSTR-UHFFFAOYSA-N 498.530 5.332 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncncc5c4)CCC3)cc2)c1 1792123605 LSUKIPDKXCQYAB-LJQANCHMSA-N 475.552 5.318 30 20 JKED C#CC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)cc2)CCC1 1792227800 AGODDHUSMXAPGF-QFIPXVFZSA-N 496.007 5.063 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Br)c2)CCCC1 1801593965 AKQYUSSGVHLBTI-NUNAXRQHSA-N 485.466 5.093 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)c4c(nc3c1)CCCC4)C2 1801637677 LWSPHNYMIJWGAF-RSPOEFSDSA-N 466.025 5.231 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1802498902 OZWMUYSGFWVRAM-NTKDMRAZSA-N 479.621 5.747 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1802500808 PPVFJRBFHJECPF-OFVILXPXSA-N 491.035 5.595 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1802502617 DDWJOFYUZMBXOS-PZJWPPBQSA-N 451.592 5.201 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1802736620 WPEXCEDNYXUZRH-CYFREDJKSA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c1 1803679661 PSNLITYEYRVYAF-YLJCJYEASA-N 487.987 5.793 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1804163955 NKBKWFJFQCTEEG-SVEHJYQDSA-N 483.612 5.088 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1804179412 PPMHFILXRKLFLT-FUFSCUOVSA-N 487.669 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Br)cs2)[C@H]1c1cccnc1 1808472995 UHSLOKVZYKFSCV-YLJYHZDGSA-N 490.467 5.218 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1808742923 LFVBZGWWBNASPD-SKVJQKLOSA-N 480.612 5.232 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)c1 1809755571 AFKHVPCBNWEYOH-SBUREZEXSA-N 490.585 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)[C@@H]1c1cccnc1 1810498402 MAYMNTLWNNMXAF-RCZVLFRGSA-N 472.589 5.049 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(ccc4ncccc43)s2)[C@H]1c1cccnc1 1811288081 XXLPODIBSQNOMY-QRRVGDGBSA-N 484.625 5.376 30 20 JKED CC(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1812600419 IBYKOIGLOFHBMA-JDXGNMNLSA-N 479.624 5.237 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1812791866 JDJGRHLMNSTOGW-DWXCWOAGSA-N 451.655 5.318 30 20 JKED CC(C)c1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1812829378 DPEVWJINKCUBHU-LGTHEAAHSA-N 494.639 5.394 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1813229399 MPWSSFFZQLECAP-UZUQRXQVSA-N 476.379 5.041 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1)C(F)(F)F 1814303639 UHBCPJLWVWMVAG-NVQXNPDNSA-N 495.545 5.300 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)COc3cccc4ccccc34)n[nH]2)cc1 1815651627 PNFWLJIRZGQADY-RUZDIDTESA-N 493.567 5.014 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(C)noc3-c3ccccc3)n[nH]2)c1 1818144845 NBFOXVUVPUDCDT-QHCPKHFHSA-N 494.555 5.173 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1 1818441408 OVZLBLUYPYPDEG-AREMUKBSSA-N 477.568 5.344 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)[nH]n1 1819309543 WIHFBXZHRNUTRL-AUSIDOKSSA-N 468.573 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccncc1-c1ccccc1)CC2 1819601293 FSXVPYMDGQGORK-WOJBJXKFSA-N 472.614 5.199 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1)C(F)(F)F 1819965749 HYQTUSHCKXYWHD-NSHDSACASA-N 467.300 5.202 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(C)c1 1820481813 PUIOPPWWIGPJSQ-YADARESESA-N 455.562 5.273 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1820640408 YIEDLMZQSXQDFG-JNCYCUAHSA-N 492.601 5.005 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1)C(F)(F)F 1821026816 JEGPCSGSHZUGJT-KRWDZBQOSA-N 484.906 5.275 30 20 JKED Cc1cc(F)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1821064354 ZXDFAJLEFMALLD-SBUREZEXSA-N 459.525 5.104 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3)n[nH]2)c1Cl 1821131033 OYDQBNBWPSGRCN-IBGZPJMESA-N 499.905 5.156 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)[nH]n2)cc1 1821181814 DYLGJPMQWZSWTJ-AREMUKBSSA-N 490.567 5.157 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)[nH]n2)c(Cl)c1 1821278158 NYQOWIJDEZNGIJ-SFHVURJKSA-N 478.965 5.097 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)ccc2[nH]1 1821584754 PGYHGGVMYJJAMR-GLCJEOIMSA-N 487.585 5.006 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821612099 WHJLAKWQUWLNLF-QFIPXVFZSA-N 454.530 5.419 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c(Cl)ccc(OC)c2F)n[nH]1 1822493321 PEMWCCBHDABZSK-OXJNMPFZSA-N 488.991 5.214 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)ccc1F 1823216365 HOBLSJUJTHOCTD-UZUQRXQVSA-N 459.525 5.104 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(NC(C)=O)ccc2Cl)n[nH]1 1823328349 VGMZABFIGQWLCW-XMSQKQJNSA-N 484.000 5.096 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)c1 1824236517 OKIGDVPRLLJRQQ-DPZBCOQUSA-N 491.582 5.182 30 20 JKED O=C(c1cc2c(Cl)cncc2s1)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826523484 RRPOIYSIKGLQIU-QHCPKHFHSA-N 492.044 5.235 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1826690103 MHOANLAHTVUMHE-QHCPKHFHSA-N 498.549 5.304 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3cccc(F)c3)CC2)c1 1827353223 MMOPGUNUMBSNAI-HHHXNRCGSA-N 496.586 5.306 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1)c1cccs1 1828675278 CYCWRCGWAGQCGV-GLCJEOIMSA-N 493.654 5.030 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(OC)cc2F)CC1 1828830509 ODHJORIIUSSGEJ-RLJUJNLYSA-N 468.613 5.236 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)CC2)c1 1828938145 RQLIEIPUZPNDPC-ZKYDNTCTSA-N 499.680 5.435 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)C)nn2CC)CC1 1829068778 PUFDAJAVXUVVLO-HSZRJFAPSA-N 456.675 5.252 30 20 JKED COc1cc(C)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829693146 WGRBUNHBAQNOJX-HSZRJFAPSA-N 480.008 5.076 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1830258150 CPKSPDWLLSIEDG-VWLOTQADSA-N 465.638 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2)CC1 1830590595 FJFUGOKPWLPAQG-RUZDIDTESA-N 462.638 5.098 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1830627944 BIQYJAKGUAMSPM-SANMLTNESA-N 489.019 5.434 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830628914 OWTVJCFFCDFXNG-AUSIDOKSSA-N 481.687 5.228 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830755392 DNZGCYMBSJQALW-DEOSSOPVSA-N 483.534 5.433 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1830785088 ZKPVUIODLIONKF-JOCHJYFZSA-N 473.404 5.049 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1830837003 OACMPEFHPWXFSJ-QFIPXVFZSA-N 469.029 5.218 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F 1831453410 UWICYZSBCYKMPG-GOSISDBHSA-N 463.327 5.345 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cnccc4c3)CC2)c1 1832631882 IPOYMEDCZWGBTG-PIKZIKFNSA-N 480.612 5.409 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c1 1832633173 DLYKERZDRJIYIO-VGSWGCGISA-N 470.038 5.576 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c12 1832633742 LWXGTPPHWUINDI-FNZWTVRRSA-N 498.627 5.351 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)CC1 1832663969 RYWTWNZCYVKYSC-QFIPXVFZSA-N 459.030 5.350 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1832665847 AJCWKBBPELWDQU-RUZDIDTESA-N 494.035 5.086 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707726 IKAGVQNBNOOFMU-HRAATJIYSA-N 454.508 5.290 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccccc2C#N)CC1)c1ccc(Cl)cc1 1832792461 IBBLCRALHWRLHR-CPJSRVTESA-N 494.035 5.014 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832978844 BFCSKZLJCOEMQJ-ATIYNZHBSA-N 478.700 5.403 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1 1836696751 CQWHUTABNLTLPP-UHFFFAOYSA-N 478.555 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)CC1 1838423887 MFYTVWZAYDHOHM-UHFFFAOYSA-N 495.708 5.282 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)CC1 1838424157 PJZUTCYDDZDXGS-UHFFFAOYSA-N 482.999 5.223 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccccc2OC)cc1 10118179 WQHSXTVRQIYGIK-UHFFFAOYSA-O 467.614 6.263 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1cccc(O)c1)c1ccc(Cl)cc1 10174061 MJAQHBPDQWAZEV-UHFFFAOYSA-O 467.876 5.283 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 10780027 CVWWCSRKNFEONO-INIZCTEOSA-N 483.977 5.480 30 20 JKED C=CCn1c(SCCS(=O)(=O)c2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 11389619 AKSTVLXNEKMQAN-UHFFFAOYSA-N 498.855 5.113 30 20 JKED Cc1ccc(/C=C/c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3cccc(F)c3)[nH]2)o1 12843744 LVZIABSCEHOLCB-MDZDMXLPSA-N 476.537 5.026 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Br)cc1 16832614 WKUFYPUZSNZKIH-MRXNPFEDSA-N 471.424 5.630 30 20 JKED C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1[C@@H]1COc2ccccc2O1 26030303 HOEWDEUKAVYZTF-FQEVSTJZSA-N 450.495 5.063 30 20 JKED N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 28976776 ZLYBMIDOAKFDLB-UHFFFAOYSA-N 487.932 5.250 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c12 105433681 SDNOWZHOYANIKO-UHFFFAOYSA-N 464.481 5.106 30 20 JKED CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 302932238 HBVOCEYOLPJVCR-KNQAVFIVSA-N 451.979 5.450 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1coc(-c2ccc(F)cc2)n1 302934065 GYUAUWAZJKEJDX-UHFFFAOYSA-N 456.930 5.783 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 303013912 NIXHPCAFCNSWJW-HNNXBMFYSA-N 478.923 5.803 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CC1 481078568 ICMZQVQLVHBUCS-UHFFFAOYSA-N 466.560 5.517 30 20 JKED COc1ccc(CN2CCC(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 486163521 HFCWPABZXNSKSZ-UHFFFAOYSA-N 455.558 5.001 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3[nH]c4ccccc4c3Br)c2)c1 490404355 YHCHWWQXZYTKOH-UHFFFAOYSA-N 459.303 5.307 30 20 JKED CCOc1c(OC)cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 492849881 DUUYZCOZTSVGOA-UHFFFAOYSA-N 462.571 5.196 30 20 JKED CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)n2)cc1 498292969 QFCIQFSZUBBLPH-UHFFFAOYSA-N 467.616 5.437 30 20 JKED N#C[C@@H](C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)c1nc2ccccc2s1 501291665 UAYXNVQQLQMIBS-HNNXBMFYSA-N 464.348 5.007 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 503369155 FULURTSSOMADIY-UHFFFAOYSA-N 496.588 5.558 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)cc2)cc1 508262129 AOGABNCUTLYVRJ-UHFFFAOYSA-N 458.493 5.372 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 512921381 ONFRGSPKGKTERY-AWEZNQCLSA-N 488.400 5.341 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1)C1CCCCC1 513142656 FVPXKAQGRZCOSS-LJQANCHMSA-N 475.536 5.474 30 20 JKED O=C(Nc1nnc(C(F)(F)F)s1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 514530697 RYBNZIVHQLLYCC-UHFFFAOYSA-N 475.296 5.033 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)n2Cc2ccco2)c1 514961237 MWUDLTSOTWUFOU-JOCHJYFZSA-N 499.640 5.939 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1 515179460 AYOYTSPLOVXYRE-KRWDZBQOSA-N 488.613 5.303 30 20 JKED Cc1c(C(=O)N[C@H](C)c2ccc(C#N)cc2)sc2ncc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc12 515553012 NFUOLIYSIMLJGX-QZTJIDSGSA-N 493.592 5.330 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 517456209 FDJZFQSLJOPLAW-SFHVURJKSA-N 486.626 5.312 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 517461188 CDQWAEZNCUFIID-UHFFFAOYSA-N 475.517 6.277 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)cc1Cl 517844468 MUGKVXQPWIJCJQ-NOOIUNMQSA-N 471.988 5.777 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4S[C@H](C)CC#N)cc3)o2)cc1 518745932 ZUCYSTVRWUHZON-GOSISDBHSA-N 454.555 6.359 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 518869525 AUGSNFHKJPYAKH-CQSZACIVSA-N 455.486 6.149 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC(Cc2cccc(F)c2)CC1 519440460 IBYIXADMDRZUDC-UHFFFAOYSA-N 493.526 5.270 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2)cc1 519977157 MJFRFGMUISPZKE-UHFFFAOYSA-N 489.578 5.143 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(Cc2ccc(Cl)cc2)n1 520817681 IHJWGMUVWAPLDE-INIZCTEOSA-N 488.103 6.511 30 20 JKED N#C[C@@H](C(=O)c1cnc(-c2ccccc2)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 522949204 RHHXDEMCLYLENQ-KRWDZBQOSA-N 451.338 6.064 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)Cn4cccc([N+](=O)[O-])c4=O)c3C#N)C(C)(C)C2)o1 523949580 IFRXSIOQPZFBTD-CLFYSBASSA-N 490.541 5.008 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1Cl 551185668 FLOJXDFQXJASDJ-NRFANRHFSA-N 497.904 5.758 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)c1 594662644 MYXQWPVIZNJTMT-XIIJWGSISA-N 477.608 5.120 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)Cn4cnc5ncccc5c4=O)c3C#N)C(C)(C)C2)o1 603561022 BSUTXRKOSKYFFB-VQHVLOKHSA-N 497.580 5.043 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(CCc2ccccc2)C2CCCC2)CC1 603619226 UPVYJWNVMOUDTB-UHFFFAOYSA-N 458.562 5.037 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c(C(F)(F)F)c1 603974398 SCQMQLYUBPXHEY-UHFFFAOYSA-N 495.914 5.016 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)Nc3sc(C)c(C)c3C#N)cc2)cc1C 604110223 IYYDROLFQAYLJS-SFHVURJKSA-N 497.642 5.085 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)c1 609064683 DIVJDZWGCAVUDY-UHFFFAOYSA-N 459.505 5.244 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)cc2F)c1 609124000 MZUIJQPWRJFOTJ-JOCHJYFZSA-N 468.532 6.169 30 20 JKED C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2[N+](=O)[O-])C1 609377751 KVQMDBGIXMXSIF-FGTMMUONSA-N 452.580 5.581 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 609437036 LPSFWYDRAQLWSN-REWPJTCUSA-N 479.646 6.062 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609437407 UDMJGPJWXDAPCP-JHJVBQTASA-N 481.462 5.045 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)cc1 613314276 HYLGHVWFRWLEBN-QFIPXVFZSA-N 479.627 5.029 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1NC(=O)c1ccccc1F 613319658 ISNKSXLIZREANE-HXUWFJFHSA-N 489.959 6.653 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc2ccccc2n1C(F)F 613401505 ACHRRBHSNMUFRS-FQEVSTJZSA-N 457.436 6.247 30 20 JKED N#C[C@@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc2cc(Cl)ccc2s1 613407091 IJZDIEXICXJRKD-IBGZPJMESA-N 474.998 6.380 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)nnc1-c1cccc(C)c1 617937457 RNUHNLZVGMWCRK-UHFFFAOYSA-N 489.523 5.148 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 642282266 YZYVKKARXAVHLG-KRWDZBQOSA-N 495.548 5.144 30 20 JKED C=CCn1c(SCCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(Br)cc1 644507871 VUIBDIBFIHXLTB-UHFFFAOYSA-N 461.360 5.154 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)nnc1-c1ccc(F)cc1 669910196 WCPXNZWNHQYGKB-UHFFFAOYSA-N 479.606 5.509 30 20 JKED C=CCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 680965948 PZQKIGBPIUIFJP-UHFFFAOYSA-N 498.629 5.446 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(CC[C@H](C)OC)C2=O)cc1Cl 726401983 VDCPAXNYRZSZPG-KKSFZXQISA-N 490.025 5.042 30 20 JKED C#Cc1cccc(N/C(S)=C(C(/O)=C2/N=C(C)C(C(C)=O)=C2C)\[n+]2ccc(C(C)(C)C)cc2)c1 726573054 XWPCKNAHVLUHSS-UHFFFAOYSA-O 472.634 5.571 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12 726937257 CZMICYZQCPZREP-UHFFFAOYSA-N 457.493 5.917 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)[C@H]4CCCOC4)c3C#N)C(C)(C)C2)o1 727906941 DKFZYRWPEVSHFV-CNRGFGOASA-N 480.586 5.208 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(NS(C)(=O)=O)c1 728121761 PEEMCKSHAPBHDJ-INIZCTEOSA-N 498.992 5.045 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 728423328 RGIRNBIHHQVNAE-OPAMFIHVSA-N 489.988 5.328 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 730444888 QNESEULBOBODBR-OAQYLSRUSA-N 482.993 5.148 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cocn2)cc1 730715976 MRZJMWZLRIVNEB-JOCHJYFZSA-N 498.555 5.456 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730944834 GNXCPNDFXNCFPJ-UUOWRZLLSA-N 490.604 6.066 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sc2cccc(Cl)c2c1Cl 731069100 FKJNWJMCANQHAL-GFCCVEGCSA-N 479.410 6.255 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(F)cc2)n1 731069720 LJFUUDSDIZVSOW-CQSZACIVSA-N 455.536 5.139 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cccs2)cc1 731125288 CDNWVZALUNTUDI-KBMIEXCESA-N 491.682 6.043 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C[C@H]2CCOc3ccccc32)C1=O)Nc1ccccc1F 731152357 QUNLOSKLGRRRNB-HOYKHHGWSA-N 489.572 5.352 30 20 JKED N#C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccc(Cl)c1Cl 731195557 KUZPCTYCEPWLIQ-UGSOOPFHSA-N 485.198 5.533 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2cccs2)cc1 731306603 WJCIKBKBXVSAAY-JTSKRJEESA-N 479.627 5.354 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2cc(C)ccc2F)[n+]2ccc(C(C)(C)C)cc2)C=C1 744115921 NFZNDXCFXGPEBB-UHFFFAOYSA-O 478.613 5.813 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12 745155247 LGOITMICMBCFTL-UHFFFAOYSA-N 456.498 5.570 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(C3CC3)C2=O)cc1OC 745991041 OBTQSSCYACIJRW-LJQANCHMSA-N 494.400 5.133 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(-c2ccncc2)n(CC=C)c1=S 749246131 KTPZKZORGJLUSF-UHFFFAOYSA-N 474.403 5.209 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1 775086653 XETKAUKIPPNRJM-KTKRTIGZSA-N 471.460 5.475 30 20 JKED Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)c12 813388554 MCXAPIBMRVQINY-CQSZACIVSA-N 494.429 5.273 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3ccccn3)C2=O)c1 837301715 GNDAJBRWPPJTEC-FDDCHVKYSA-N 476.577 5.559 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCc3cccs3)C2=O)cc1 837744649 MYPSQGYHZBRVQF-JOCHJYFZSA-N 495.601 5.293 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(F)cc1F 838577443 CTDCEKBMJPWMBQ-OAQYLSRUSA-N 491.560 5.133 30 20 JKED CC(C)N(C)Cc1cc(O[C@H]2CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)C2)ccn1 856561222 NMLNUWNGYSIAIS-LJAQVGFWSA-N 470.617 5.026 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H](C)c2cc(C)sc2C)C1=O 914692451 YJWVWFPMUWDNRN-PIGZYNQJSA-N 470.447 5.501 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 915085234 IZKYJEFQJXCJRJ-JTHBVZDNSA-N 492.406 6.140 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)/C=C\c4ccccc4)cc3)cn2)c1 915198447 KQNJNRZRDWYUPS-NXVVXOECSA-N 496.548 5.410 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915200118 VGONGKJKDKQXAA-ZEQRLZLVSA-N 476.374 5.311 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O 916210464 FTZVGIJGGOEXAU-NRFANRHFSA-N 483.977 5.411 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 916711491 ULPXWGLJFNZZOY-YXQVCNHYSA-N 495.432 5.175 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847537 RFRXPZUKAUUPRV-MRXNPFEDSA-N 464.547 5.113 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 916906273 PGRZUIRPCXJTRD-OAQYLSRUSA-N 456.889 5.279 30 20 JKED CCCCCCn1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2c1=O 916928062 GNFGPADTGOLKCL-GOSISDBHSA-N 485.371 5.245 30 20 JKED Cc1ccc(CN2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 916997586 XEPWLQPPYWAMKB-QFBILLFUSA-N 484.408 5.650 30 20 JKED CC(C)N1C/C(=C/c2cnc(-c3ccccc3)nc2)C(=O)/C(=C\c2cnc(-c3ccccc3)nc2)C1 917143157 DCIQFFRKLZTLAQ-IFADSCNNSA-N 473.580 5.361 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 917507179 QQHXRDNWNZDHNI-AWEZNQCLSA-N 474.357 5.051 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cs1 917561850 PKNHPUNVSXILBG-PXLXIMEGSA-N 499.592 7.000 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917658245 CHSSMHRZNQAQAB-SMIHKQSGSA-N 490.673 5.199 30 20 JKED CCCC(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 918491079 XDNVFHWDSZNFFF-XJKSGUPXSA-N 450.391 5.332 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 919666979 PNFFOKYLFHUVTG-LJQANCHMSA-N 465.962 5.324 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 920140930 GTHNAZFVGJLCNM-MRXNPFEDSA-N 485.447 5.287 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C[C@@H]2CCCO[C@@H]2c2ccccc2)C1=O)NC1CC1 920354947 ISUSSVFBEXTRLY-JKFKMHIGSA-N 498.048 5.108 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807003 VLXRBHOSOZKTPG-DYESRHJHSA-N 492.551 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CCO2)C1 1779243459 YESFYSUOEFEQJL-PMERELPUSA-N 487.644 5.250 30 20 JKED COc1ncc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1785784451 SGXBILYHRITCIA-QGZVFWFLSA-N 488.975 5.432 30 20 JKED Cc1ncc(/C=C/C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)s1 1786041709 YLHJWRGIQSDEMS-ACCUITESSA-N 470.598 5.103 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)cc2)CCC1 1786138529 ISSXFIKIAFKNMG-UGKGYDQZSA-N 469.626 5.050 30 20 JKED Cc1cc(Br)c(N)cc1C(=O)NC1(c2ccc(NC(=O)[C@@H](S)C(C)C)cc2)CCC1 1786390691 AFZFJBNABPQUTI-FQEVSTJZSA-N 490.467 5.042 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3=CCCS3)cc2)CCC1 1786413683 MAFRJIXTGQYLPQ-HXUWFJFHSA-N 485.650 5.001 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3ccc4ncccc4c3)cc2)CCC1)C(F)(F)F 1786557970 OUDXIGNUZMSIRH-UHFFFAOYSA-N 453.464 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ncn(C)c4C(F)(F)F)cc3)CCC2)c1 1788769983 YZCYQYGOCCTSCZ-MRXNPFEDSA-N 495.505 5.127 30 20 JKED Cc1cccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)c1 1790144527 RSFPVKNWJUOKGM-UHFFFAOYSA-N 475.552 5.318 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1790566832 CNQKAXHLTBBJED-HXUWFJFHSA-N 470.573 5.297 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790705063 FMHKMPXDXGSOEV-UHFFFAOYSA-N 475.589 5.012 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)cc1 1790707129 DVJUWGVHVHXBEJ-UHFFFAOYSA-N 460.537 5.362 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790838282 DJZSBKQSTREENQ-QHCPKHFHSA-N 477.992 5.209 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)C(F)(F)c4ccco4)cc3)CCC2)cc1 1791077492 ZQWYDVYDSLKILS-UHFFFAOYSA-N 463.484 5.010 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OCc3ccccc3)C(C)C)CCC2)cc1 1791593078 DWKAQNNJQVCMGP-XMMPIXPASA-N 477.605 5.038 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC(F)(F)C4)CCC3)cc2)c1 1792122370 PCGWECHQGCAKEI-PXNSSMCTSA-N 451.517 5.497 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccc(Cl)cc5n4)CCC3)cc2)c1 1792123541 HQDHBVKPBZDAQE-SFHVURJKSA-N 497.986 5.676 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)[nH]c2c(Cl)cccc12 1796703930 NDTBLSKQZDKQLW-BJWYYQGGSA-N 481.383 5.220 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnc2s1)c1ccc(C#Cc2ccccc2)cc1 1797423370 LWLAJWICFLWZPB-OOSCYNTBSA-N 491.616 5.262 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Br)cc2s1)C(F)(F)F 1798085837 QFJTXVRVTBDEDW-QDMKHBRRSA-N 487.341 5.034 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 1799443460 YLJRVQIDHCQQQH-SKWUIDRYSA-N 494.945 5.009 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1c[nH]c3cc(C)ccc13)C2)c1ccc(O)cc1 1802421297 BPLGGICRUZUNFE-NKFLDROBSA-N 495.623 5.031 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1802501590 ZXDFJSVCMFKZCV-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1804054019 ZATOHQGXHMAYNN-DVECYGJZSA-N 472.004 5.115 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)C4(c5ccccc5)CCCC4)CC3)C2)cc1 1804752776 BWHOKTAPGJNXCE-UHFFFAOYSA-N 483.656 5.234 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cnc4cc(C(F)(F)F)ccn34)CC2)C1 1804866551 GZHKNRUUSSVAEA-UHFFFAOYSA-N 490.570 5.190 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C2)CC1 1805638676 RPFONSYITUHIPY-NRFANRHFSA-N 467.000 5.522 30 20 JKED N#CC1(C(=O)N2CCC3(CCCN(C(=O)c4cccnc4-c4ccc5ccccc5c4)C3)CC2)CC1 1810400369 YHRKCZWVVFOWLS-UHFFFAOYSA-N 478.596 5.050 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](CCC)n2cccc2)[C@@H]1c1cccnc1)c1ccccc1 1810443195 DSZUKLZUOLIUMM-XFTNXAEASA-N 496.655 5.128 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1811058172 MCQKASMNUKKLRQ-VWNXMTODSA-N 488.657 5.517 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c1Cl 1811421338 YJAMCDZRQIWATJ-XSWZMKEHSA-N 477.008 5.063 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1813051045 RHVMACIHSMPANF-KDYSTLNUSA-N 465.553 5.104 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1813869744 OZERTLMHMDJZFM-MZFMZNHHSA-N 460.622 5.245 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1813955468 TURAOZVXFWLJKN-ZEQRLZLVSA-N 479.502 5.187 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)cc1 1814379085 AJBGFKNZKGSVLM-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1815656813 GTDKELSQNDASRE-KRWDZBQOSA-N 497.846 5.051 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c(C(F)(F)F)o1 1816470047 LQOHKAPIUBBWGJ-IBGZPJMESA-N 485.466 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3cc(Cl)ccc23)n[nH]1 1819163710 QHGHANVIZCZQID-UZLBHIALSA-N 466.973 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)[nH]n1 1819305626 MBJZBFSQZCDUAU-WIYYLYMNSA-N 463.607 5.402 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2F)[nH]n1 1819307727 MMZUPOSBRJFDAF-UZLBHIALSA-N 476.499 5.225 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c(Cl)c1 1820220871 FRFNSLXGYQYJPO-HXUWFJFHSA-N 493.354 5.080 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3ccc(F)cc3)n[nH]2)c1 1820316525 JQUNTYSPGGTWAL-XMMPIXPASA-N 494.530 5.102 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1 1820547612 USWLCDFAVXGKIX-VWLOTQADSA-N 490.567 5.272 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)cc3)[nH]n2)cc1 1820549603 WZXYVWAHYDKJLG-XMMPIXPASA-N 494.530 5.102 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1ccccc1 1821279427 BPRLUCJIMUUCNF-UZUQRXQVSA-N 475.980 5.434 30 20 JKED CC(C)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310540 BVLRHYTXNNJGKP-IBGZPJMESA-N 461.488 5.042 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821857522 ZUVSWUDDPHHEFS-ZJSXRUAMSA-N 455.002 5.299 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C(F)(F)F)c2)[nH]n1 1822401293 JCYKPCCDURBXEF-INIZCTEOSA-N 485.304 5.073 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)cc2s1 1823216294 GCKNSMCWICHMLT-NYHFZMIOSA-N 486.601 5.508 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)[nH]n2)c1 1823217412 RYQGLCHTCNTGAF-MHECFPHRSA-N 494.555 5.311 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)COC2CCCCC2)CC1)c1ccccc1 1824018270 VCVNYFWJRWMALR-WUFINQPMSA-N 478.677 5.153 30 20 JKED COc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)cc2c1 1824053239 MDGNPEDUSHBPDK-AREMUKBSSA-N 499.611 5.179 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1 1824053747 DOIXVXOLTUAZLE-DEOSSOPVSA-N 481.999 5.217 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1824510160 LBYPYIWXXNYFRU-HTAPYJJXSA-N 467.437 5.126 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)c(Cl)c1 1826475818 NKBOQIAJIOBAON-XMMPIXPASA-N 484.427 5.341 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827333601 UVBMUHAQXYKAIM-NVQXNPDNSA-N 490.648 5.091 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683060 SNMSONGOTATBLA-ZJVMWOEPSA-N 456.652 5.099 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2Br)CC1 1827769898 AXDRHYNIKWFYHV-AZUAARDMSA-N 463.416 5.044 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)c2[nH]1 1828208756 AALSDBLFOFEJBM-SANMLTNESA-N 491.752 5.761 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1828827197 TXELLPGLLIFGTI-JYFHCDHNSA-N 495.067 5.732 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1830016289 HXAXUUWLPHTXCR-YMPZKCBVSA-N 475.555 5.160 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830055285 SEDBSGLDWQQBSF-KBMIEXCESA-N 497.561 5.880 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830057260 JPRZUBZBJVJQBL-AREMUKBSSA-N 461.581 5.368 30 20 JKED CO[C@@](C)(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](S)C(C)C)CC1)c1cccc2ccccc12 1830158964 GCEYDGRKRZGWPC-UWPQIUOOSA-N 496.717 5.276 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(C)=O)CC1 1830391552 KNGTWPGHTJTJTE-BJKOFHAPSA-N 479.706 5.270 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cnc1C 1830755288 VTPYUYIYDBYGNG-DEOSSOPVSA-N 498.549 5.136 30 20 JKED CC1(C)CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1 1830756384 WTBBZJVOCYCKFJ-QFIPXVFZSA-N 475.555 5.247 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c(Cl)c1 1830973463 RBUIBVIYTAHIEG-XMMPIXPASA-N 493.032 5.368 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1)C(F)(F)F 1831451054 LTJXWUOUOYDCAR-IBGZPJMESA-N 477.552 5.162 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1831505944 DXUJSVJIDLVRJQ-CJFMBICVSA-N 478.036 5.639 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1831846069 VLDCTBAMJNTHLQ-NTKDMRAZSA-N 452.620 5.031 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832031652 SNANTOMIUJLJRF-QFIPXVFZSA-N 466.519 5.271 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc(F)c1F 1832635855 WCQXGRIXMGXVKB-IQGLISFBSA-N 479.571 5.447 30 20 JKED CO[C@](C)(C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1cccc2ccccc12 1832780216 ZNXRLWDBVRYXQI-WNJJXGMVSA-N 487.644 5.015 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)S)CC2)c2ccccc12 1832998343 JTQHHKDTUSSWDS-NBGIEHNGSA-N 452.664 5.019 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H]4CCC[C@H]5CCCC[C@H]54)CC3)CC2)c1 1838290793 PIMIRKBWZHODEH-XTBZXYEFSA-N 491.676 5.085 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1c[nH]c3nc(-c4ccccc4)ccc13)C2 1841057642 JQSBKBVAMIBYJT-UHFFFAOYSA-N 456.590 5.039 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1844202856 GJGVVDDKPZKKOH-FQEVSTJZSA-N 459.615 5.482 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10757100 SNRPPFYSCVNHIC-UHFFFAOYSA-O 497.830 6.190 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836570 DSALMPNOEZTGAP-UHFFFAOYSA-O 494.414 6.908 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(F)cc1F 11247589 DGHASCFHYSXAOQ-UHFFFAOYSA-O 456.538 5.013 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 11251913 MBTHYOUMWGTKBI-UHFFFAOYSA-O 492.665 5.455 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 12723864 GPNHFVDJOGCVON-RPWUZVMVSA-N 484.581 5.449 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 12844603 JUICKACDRLGUEA-AWEZNQCLSA-N 484.578 5.174 30 20 JKED CCCOc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OCC 14621371 XQUUAQYRATVJJM-UHFFFAOYSA-N 454.577 5.142 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872457 LQWIWRFGXMCISK-UHFFFAOYSA-O 476.424 6.732 30 20 JKED COc1ccc(CNc2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)s2)cc1 16324795 CTTFNZPVAXROOS-AWEZNQCLSA-N 499.687 5.480 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccc(F)cc1 18329731 DHVKLYXOYOJFRM-ZDUSSCGKSA-N 479.562 5.682 30 20 JKED C[C@H](C#N)OC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 21750983 GXNDIZQZUSTEMX-MRXNPFEDSA-N 489.380 5.458 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccc3c(c2)CCCC3)cc1 22802047 GKLJMZJMXHLYJP-UHFFFAOYSA-O 487.689 5.558 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nc2sc(C)c(C)c2c1=O 23405158 ZBMKXUCQGJSYLM-ZBFHGGJFSA-N 467.616 5.365 30 20 JKED Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n2Cc2ccco2)c1 26489422 WLBICNDPNRHRFI-MRXNPFEDSA-N 489.626 5.436 30 20 JKED CCOc1ccc(N/C(S)=C(\C(=O)c2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 28778087 YCKFXDCJHFBRPZ-UHFFFAOYSA-O 451.587 5.860 30 20 JKED COc1ccc(-c2nnc(Sc3cc(C)c(C#N)c4nc5ccccc5n34)n2C[C@@H]2CCCO2)cc1 71835722 FWRDRMCQVCWXQM-FQEVSTJZSA-N 496.596 5.265 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2F)C[C@H](C)O1 71931330 JHTWCTLHVHGJIN-ROUUACIJSA-N 461.562 5.714 30 20 JKED CCc1ccc(N(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c2nc3ccccc3s2)cc1 104895646 JMGOKQFYBQDSDG-UHFFFAOYSA-N 456.571 5.333 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1OCC 302955094 BEQMALCWPHFGIL-QGZVFWFLSA-N 473.411 5.390 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCC2(c3ccccc3)CCC2)c1 302983513 ULQNJSXNKXFYGH-UHFFFAOYSA-N 455.583 5.141 30 20 JKED N#CCCSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1Br 303308081 QDVSEPJNZJIQHC-UHFFFAOYSA-N 476.215 5.018 30 20 JKED Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Br)c1 303316575 GYZXNRGZJKSFKS-INIZCTEOSA-N 450.336 5.861 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c2C(=O)c2ccco2)C1 498364670 PYPJKUMYGPXLJX-MRXNPFEDSA-N 496.610 5.027 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 498692890 FKUBIEWUTPCIAM-UHFFFAOYSA-N 461.481 5.024 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1nc(C(=O)OCC)cs1 501952097 QVEXMARYDSRFRA-UHFFFAOYSA-N 477.405 5.644 30 20 JKED N#Cc1c(CCCNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)nn(-c2ccccc2)c1N 504145659 JXYPGOUFVOKMAY-VWLOTQADSA-N 484.991 5.001 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 508141669 IIBWGXAFLXXCSJ-UHFFFAOYSA-N 482.005 5.750 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)cc1 508162381 WAZBAGVQKMJVHH-UHFFFAOYSA-N 477.008 5.446 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 510272883 SRSPUDVJKRAOJJ-OAHLLOKOSA-N 490.610 5.595 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 510275250 YMRNOWZBVBDOAC-LJQANCHMSA-N 493.523 6.388 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 510873210 RSMKVIYADBDQAO-UHFFFAOYSA-N 488.975 5.692 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F 510875490 ZBXKLOSZUQUFFT-UHFFFAOYSA-N 462.525 5.094 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)o3)n2)cc1 512489852 SXXSAJKHQCMJAV-INIZCTEOSA-N 457.536 6.178 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC2)c(C)c1 514512155 CQFZOMKLKPRBQE-UHFFFAOYSA-N 459.468 5.243 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1cc2ccccc2o1 516722431 NLFHKKLBFMQOOE-FDDCHVKYSA-N 485.971 6.290 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 517465375 CBMMAVLUDRBWBV-REWPJTCUSA-N 457.599 5.367 30 20 JKED C=CCN(C(=O)c1sc(COc2ccc(Cl)cc2)nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 517511101 QNSIMSCCQANQIS-KRWDZBQOSA-N 495.008 5.049 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCc3ncc(-c4ccccc4Br)o3)c2C#N)C1 517550198 MKEFBWXBVWJLMR-ZDUSSCGKSA-N 470.392 5.733 30 20 JKED CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518155537 HCRCLNHKFXERSN-PVAVHDDUSA-N 455.546 5.227 30 20 JKED COc1cc(C2(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CCCC2)ccc1C 518642739 WNVNTGXEENLSQT-UHFFFAOYSA-N 464.616 5.470 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 519441207 FXAAMBVKEROXAM-OALUTQOASA-N 463.628 5.728 30 20 JKED CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1Cl 519690713 JDFCKSFLHAHPIV-KRWDZBQOSA-N 492.359 5.547 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(COC3CCCCC3)c2)c1 520724013 NBQYXNQMTOIWFU-UHFFFAOYSA-N 499.636 6.391 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccc2Br)n1 520814603 FZUAQMQDZMURAT-ZDUSSCGKSA-N 488.436 5.217 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)CC2)c2ccccc12 521293015 DLADADFYQAMAKM-SANMLTNESA-N 483.612 5.379 30 20 JKED COc1ccc(CCCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 523595615 CCBWHXABMYRYPO-UHFFFAOYSA-N 461.537 5.059 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccnc1Oc1ccc(F)cc1Br 553328702 CHGBKCXXQBAMLN-CQSZACIVSA-N 486.366 6.280 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nc(C3CC3)nn2-c2ccccc2)ccc1Cl 589047761 UTYSDYKWOZGIKC-UHFFFAOYSA-N 451.983 5.146 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603685420 QESSYWPDCAOJFN-RKDXNWHRSA-N 482.299 5.175 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 603696363 STCKOFROPSRCPB-UHFFFAOYSA-N 470.426 5.632 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1Cl 603828986 CYTRDANCCMMDJJ-SANMLTNESA-N 499.014 6.084 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4cccc(Br)c4)C3)cn2)c1 604400264 FKHFSBHEEFCLIZ-GOSISDBHSA-N 492.377 5.156 30 20 JKED COCCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H](C)c1cccc(C(F)(F)F)c1 604499413 AACDFJBHCLFHNF-KRWDZBQOSA-N 484.478 6.006 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 608817367 CNKRACVSJKWWSF-IBGZPJMESA-N 488.931 5.453 30 20 JKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 609020035 GNMZTFICFJMTHV-UHFFFAOYSA-N 466.541 5.931 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1OC 609060524 BYVDTQIPJOWQDS-QFIPXVFZSA-N 474.557 5.375 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 609088663 BOUHXGDZODZBJO-URXFXBBRSA-N 493.485 5.075 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103939 JRENKEKMBYVEPV-UHFFFAOYSA-N 471.536 5.055 30 20 JKED Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N(C)c3ccc(C#N)cc3F)c12 609215944 BODALSZGZVTUTJ-UHFFFAOYSA-N 467.529 5.745 30 20 JKED CCn1c(CNc2ccccc2S[C@H](C)CC#N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 609431787 REDSPBWPEWRQFC-LJQANCHMSA-N 497.690 5.237 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(Cl)cc1 617895876 BMZCZHMXNSUUEE-OAHLLOKOSA-N 461.418 6.174 30 20 JKED C=CCN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc2c(s1)CCCC2 623331833 VHVRGTCTWZGNJF-UHFFFAOYSA-N 458.008 5.822 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 635014440 USQQJWSZEXFEIN-UHFFFAOYSA-N 474.586 5.340 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ncc(Cl)cc1Cl 645079409 WTHCXBSBVAOIRZ-UHFFFAOYSA-N 484.796 5.129 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1Cl 726396597 FTXNKXUCCJZCEK-OXQOHEQNSA-N 459.999 5.034 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(C)C)C2=O)cc1OC 726414719 DWFOTBWXEWIFHP-HSZRJFAPSA-N 499.633 5.107 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)cc1 726415136 IEHHUNLBSRRWOU-NRFANRHFSA-N 498.605 5.230 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1Cc1ccsc1)c1cccs1 726415688 KEGVBGUXRZBBKE-FCJOQIBNSA-N 499.639 5.098 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\[C@H](C)c1cccs1 726422198 VQAOQFKGXQEQIQ-PDNRQDKUSA-N 457.621 5.141 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 726733259 TWKFPHUHZZJAKU-INIZCTEOSA-N 456.926 5.794 30 20 JKED N#C[C@H](C(=O)CCCCCc1ccc(I)cc1)c1nc2ccccc2o1 726860221 UBBJGZAOQSKSDP-QGZVFWFLSA-N 458.299 5.412 30 20 JKED COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)Nc2ccc(CC#N)cc2)cc1 727366972 VXBFQHBZXVIIRH-UHFFFAOYSA-N 464.319 5.028 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)n1 727934859 NSTAIPZROVRKCF-XMMPIXPASA-N 451.530 5.319 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 727996207 GZBSGGUJCUOSNF-GDLZYMKVSA-N 488.543 6.152 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 728148001 RMIWLSBYXHLEPE-YLJYHZDGSA-N 482.556 5.120 30 20 JKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)on1 728184423 AIKKPDRHPPIBIM-UHFFFAOYSA-N 473.529 6.117 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C 728189857 ZFIJDLUPEXFHKS-UHFFFAOYSA-N 499.954 6.505 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc2ccccc12 728421374 UEEXJXFSCRQRMF-KOSHJBKYSA-N 486.597 5.097 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)cs1)c1ccc(F)cc1F 728441163 FVABZSZDSJTYIJ-CSKARUKUSA-N 499.539 6.573 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1 728680363 PUHRNEVNWCJDNH-UHFFFAOYSA-N 457.964 5.188 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(CCCCC#N)C1=O 728775758 BIQLCDTXOZUGIP-JOCHJYFZSA-N 499.036 5.620 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(CCCCC#N)C2=O)c1 728778538 SMNJDNRXXHHCFE-XMMPIXPASA-N 476.646 6.081 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1 729767771 VKJRPUIHPZIZFH-UHFFFAOYSA-N 499.379 5.970 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 729891345 FEIANGZUARFNLM-ROUUACIJSA-N 468.504 5.654 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 730683713 JSUWYCASDXTEBB-FDDCHVKYSA-N 466.566 5.281 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cocn2)c1 730726981 MDOBQYUDGUFUQV-NRFANRHFSA-N 484.528 5.237 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3cccnc3)C2=O)cc1 730942277 KZZKLACWTDLUPF-YADARESESA-N 488.613 5.510 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944195 SKXCSGIBNKOLKC-MHECFPHRSA-N 486.597 5.314 30 20 JKED C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2SCCC#N)c1 730982751 WBBUVWALTWVSLL-KRWDZBQOSA-N 495.601 5.224 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2F)c1 731312200 JHJGZVHDQRDAQA-QFIPXVFZSA-N 481.524 5.139 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)Cc2nc3ccccc3s2)c1=S 732476131 YTPSBOMXVMHJJF-UHFFFAOYSA-N 472.039 5.532 30 20 JKED C=CCn1c(C)cc(C(=O)COC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c1C 742956628 WXEQNJVXVMMEQD-UHFFFAOYSA-N 481.599 5.529 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1F 743523739 CDOLOHGWXHHZSR-MRXNPFEDSA-N 454.354 5.421 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)CC2)ccc1Cl 745100808 WCSOGBJIAZEMAQ-KRWDZBQOSA-N 481.445 5.637 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 746697935 QCHQNXSUMZLTJG-HXUWFJFHSA-N 495.979 5.395 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 749247058 YQWDKZJWUKTOSV-UHFFFAOYSA-N 474.403 5.358 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)Cc2csc(-c3ccc(F)c(F)c3)n2)ccc1Cl 750161901 RIIPEOZARMSUPQ-UHFFFAOYSA-N 489.931 5.083 30 20 JKED COc1ccc(-c2nc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)cs2)cc1 767033119 LKVIATVRRBSEPA-UHFFFAOYSA-N 457.584 5.325 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837366916 DACAWNYADHEWNT-CYFREDJKSA-N 472.614 5.927 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1C 837402696 SYEBYVSRHVYQEC-JPYJTQIMSA-N 476.577 5.559 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 837929562 CSYIZFSNHYQVBQ-HJPURHCSSA-N 494.567 5.644 30 20 JKED FC(F)(F)C(F)(c1ccc(-c2nc(-c3cn(Cc4ccccc4)nn3)no2)cc1)C(F)(F)F 904773283 HUJZGRWCXHYCJG-UHFFFAOYSA-N 471.336 5.333 30 20 JKED CCCCOc1ccc(C=NOCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC 913206722 RGRDWIJLILNIEE-UHFFFAOYSA-N 481.618 5.241 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)Cc1ccco1 914690590 ZYIFXEOGDANPHC-OYHNWAKOSA-N 499.539 5.158 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nn1-c1ccccc1C(F)(F)F 915086886 ODDJQFUFWBKLSI-NRFANRHFSA-N 488.469 5.468 30 20 JKED C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1)c1ccccc1 915087074 PZSUYRCHSVLYJU-KMRXNPHXSA-N 495.604 5.634 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCCc2ccc(C)o2)ccc1Cl 915184248 PWJVKZLKQMBZJE-UHFFFAOYSA-N 493.412 5.249 30 20 JKED CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 915353807 XRNTUAGGMOWYBQ-RPWUZVMVSA-N 486.528 5.455 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)cc1 916213435 CTTYUFYANVRTKC-HXUWFJFHSA-N 493.551 5.720 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 916695445 LFXOEQFRTHJVKZ-KZLURRSOSA-N 495.432 5.175 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 916846050 FRVGSHIZCGOVSU-NRFANRHFSA-N 451.551 6.262 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1 916947135 DURCQFIEVPWRNZ-URKNILKWSA-N 496.658 5.497 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)n2)cc1 916975281 WRCLFIGESNYEAT-HXUWFJFHSA-N 480.014 6.226 30 20 JKED CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977015 ZWNFPRDDMAQUFU-TZIWHRDSSA-N 466.994 5.164 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 917045814 AEBLBOKBLXOKMT-MRXNPFEDSA-N 454.964 5.113 30 20 JKED COCCOc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccc(Br)cc3)c2C)cc1OC 917146562 QWEWVMBQWJERBA-ZHACJKMWSA-N 485.378 5.182 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1C 917175957 PFJWJAHUEQUXNM-UHFFFAOYSA-N 475.064 5.973 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(Oc3ccccc3)c(F)c2)cs1 917560123 HIBLOKHNXQDLQZ-RAXLEYEMSA-N 492.959 7.309 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3c(Cl)cc(Cl)cc3C2=O)cs1 917560298 KZXKXSRMTFISBE-WUXMJOGZSA-N 463.317 5.932 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OCCCC(=O)O)cc2)cs1 917564055 VPODNIAZUFBKBH-ZROIWOOFSA-N 464.543 5.276 30 20 JKED CCOc1cc(C=Nn2c(C)nc3sccc3c2=O)ccc1OCc1c(Cl)cccc1Cl 917580432 JAOCPRYLIHUSKX-UHFFFAOYSA-N 488.396 5.933 30 20 JKED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(-c2ccc(Cl)cc2)s1 917602438 FBUKVYQPUBNCGO-WLMCBFPDSA-N 481.426 5.483 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CCc2ccc(Cl)s2)C1=O 917653133 JCCAMXKYCBLIEJ-AWEZNQCLSA-N 490.022 5.027 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(C(C)C)cc1 917666068 SDTRKRDQYWCXQA-HSZRJFAPSA-N 481.618 5.009 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(C#N)cc3)C2=O)cc1 917675725 YXQIKWIQUMWYQT-DEOSSOPVSA-N 484.581 5.117 30 20 JKED C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 919799957 MJYPINBHZPPUSF-MHECFPHRSA-N 490.401 5.181 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)s2)c(C(F)(F)F)c1 919815531 MBOPECXTURJAQG-LJQANCHMSA-N 456.449 5.080 30 20 JKED C=CCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2I)c1 919838345 IIRUNHPSAQNDDF-UHFFFAOYSA-N 498.320 5.361 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 920143896 UJGKQJICEWAUOY-RXVVDRJESA-N 479.989 5.201 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cc(C)on3)C2=O)cc1 920353026 ZCHIUCVWCVIHEG-QHCPKHFHSA-N 492.601 5.159 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cc(C)on3)C2=O)c1 920354553 DUZTUXASVHZPFJ-NRFANRHFSA-N 482.993 5.414 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)C1 1780014558 ZXKZNORTKKCWNB-NDEPHWFRSA-N 491.657 5.332 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785806637 HPLDGZUSSWOSPX-QHCPKHFHSA-N 483.653 5.416 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)Cn4ccc5c(F)cccc54)CCC3)cc2)cc1 1785880980 URZJBBGAKSUUJZ-UHFFFAOYSA-N 480.543 5.029 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1)NC(=O)OC(C)(C)C 1787277617 MWKMLFDPVQEVTD-FQEVSTJZSA-N 483.634 5.355 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C(F)F)no3)cc2)CCC1 1788308250 OPZSPNGYLXVYFJ-UHFFFAOYSA-N 473.596 5.411 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc[nH]c5nccc4-5)cc3)CCC2)c1 1788459923 ZZCHXWMUEAMONM-GOSISDBHSA-N 463.541 5.203 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3c(F)ccnc3Cl)CCC2)cc1 1788649648 VQIDHYMSPCALRN-CMDGGOBGSA-N 483.952 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789201310 UWJNVRBNMYQFCK-UHFFFAOYSA-N 483.653 5.370 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)c2cc(O)ccc2n1 1789241835 LCGZTBQHPPUMDU-UHFFFAOYSA-N 476.536 5.182 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN3C(=O)OC(C)(C)C)CCC2)cc1 1789624045 CYOOCYAIGXSGIA-OAQYLSRUSA-N 469.626 5.122 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5cc(Cl)ccc45)CCC3)cc2)cc1 1790289971 HCAKKYIRXLCHKU-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)cc2)CCC1 1791520169 HPKUCZVMCMYSLW-HXUWFJFHSA-N 491.579 5.025 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1791563743 UBSSQPNZUDAFKO-MIZPHKNDSA-N 483.653 5.416 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2)CCC1 1792198912 QJIPBPJMFAAFTM-UHFFFAOYSA-N 491.632 5.402 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792387994 VSFBDIOKZIRAMR-SANMLTNESA-N 469.626 5.124 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(Cl)c(C)c3)[nH]n1)C2 1798331409 MFZSLCWJQVZNOY-WOZUAGRISA-N 467.013 5.059 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ccc(Cl)cc3c1)C2 1798420584 BQTHUSZUTIUICB-NUNAXRQHSA-N 482.100 5.191 30 20 JKED C/C=C/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C 1800175531 KSOCDRGJAGDVRY-DEGAXKBRSA-N 489.701 5.401 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3cccs3)on2)[C@@H]1c1cccnc1 1802496281 PMTUCFIPLUMQQW-AUSIDOKSSA-N 478.618 5.110 30 20 JKED Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/C(=O)c2cccs2)C3)c2ccccc12 1804612699 NIGBKDKHDVRGAN-AZHGELKTSA-N 486.637 5.220 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CSc3ccc(F)cc3F)CC2)C1 1804859774 KWUDVYSQXPHFJU-UHFFFAOYSA-N 464.622 5.281 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccnc(C(F)(F)F)c3)C2)CC1)c1ccccc1 1807908330 CCCZWGHOVXOOHP-HSZRJFAPSA-N 497.561 5.142 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1809094836 BSOVRFDMLDFWQS-CLCZQPDDSA-N 468.601 5.026 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC3(CCCN(C(=O)CCc4ccccc4Cl)C3)CC2)c1 1809354936 WKCKQSMLWWKUFK-UHFFFAOYSA-N 478.036 5.008 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810271289 FNEJKDSBILTJSY-GVUKDKGQSA-N 469.746 5.355 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(F)cc2)[C@@H]1c1cccnc1)c1ccccc1 1810448722 XSONPLPWBAGWGI-BTIIJPOSSA-N 497.614 5.057 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1811182328 RYHONZSKQIHDCZ-BDYUSTAISA-N 488.676 5.384 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1)c1ccc(F)cc1 1811368855 YVUZKVSFMGTSQY-PKXQUSJVSA-N 498.602 5.046 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)[C@H]2c2cccnc2)c1 1811796393 PEHGCTOBGIIYDK-OZXSUGGESA-N 499.014 5.048 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2CCCC3)[C@@H]1c1cccnc1 1813876743 QVFSPCWWRNBSRE-IGKIAQTJSA-N 457.618 5.048 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)cc1 1814379430 XFGKMRACANUSBU-QFIPXVFZSA-N 497.933 5.152 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[nH]n2)C1 1814397407 ZFOZVMLDZONEQR-QFIPXVFZSA-N 485.613 5.892 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3Br)[nH]n2)C1 1814398626 NYWNCAFWUSUKJE-KRWDZBQOSA-N 477.790 5.098 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)CC1 1814499320 DGXQPLPFSYHBLY-ZFJSRUIDSA-N 461.610 5.123 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](F)c3ccccc3)n[nH]2)c1 1815557910 BIYIFWYEBMINMR-UWSIMGETSA-N 459.525 5.053 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)c1 1817003024 JESBNDZYKPSUNN-UUOWRZLLSA-N 490.007 5.629 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2)n[nH]1 1818229004 ZMXVDDWBBMCKJX-URXFXBBRSA-N 469.589 5.546 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)cc1 1818594229 KAWNWHHPBZYYJA-OAQYLSRUSA-N 487.560 5.184 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)nc4ccccc34)n[nH]2)cc1 1818603911 IBTLZOUTTOBILR-QHCPKHFHSA-N 498.974 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)[nH]n1 1819306739 DOHRLJFPOQGYAN-OXQOHEQNSA-N 466.973 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1819307051 NGCLVZWNXNHXKO-VGOFRKELSA-N 465.985 5.619 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)[nH]n1 1819307367 SPJLHZMEVFBDBF-YADARESESA-N 497.603 5.127 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)[nH]n1 1819552307 JHYOUAVLGIBLOY-HXUWFJFHSA-N 476.980 5.266 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820218659 AISQHBZNTWZXRJ-FQEVSTJZSA-N 490.995 5.247 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccoc2Cl)n[nH]1)c1ccccc1 1820392687 IPHROVURBJLGQK-NQIIRXRSSA-N 464.953 5.159 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)[nH]n2)c1 1820481861 QJSNRGFEOZUNAV-QFIPXVFZSA-N 472.936 5.036 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821214672 LRDBHOMZLQZZRW-KRWDZBQOSA-N 484.906 5.118 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)[nH]n2)c(Cl)c1 1821274842 PSZATETZMZREIB-SFHVURJKSA-N 488.400 5.198 30 20 JKED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4ccoc4s2)CC3)c1Cl 1821408887 YMXQEFHGMNQAHR-CYBMUJFWSA-N 482.974 5.015 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821539730 CBRCUHXIWODIBD-KRWDZBQOSA-N 461.900 5.062 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2Br)n[nH]1 1822514072 FLKYIPJBIWKTLE-JLVIMGNISA-N 483.410 5.071 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n[nH]2)c1 1822575718 YKFLHRCFAMBZHA-RJTNSINYSA-N 467.573 5.146 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823807332 MLBBNHDIQKUKOP-RXFWQSSRSA-N 478.036 5.178 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)cc1 1823898565 JWJVNNXEMMUERQ-DEOSSOPVSA-N 467.972 5.092 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)CC2)c1 1824329179 RSPWDERJMXOHKE-YADARESESA-N 471.592 5.372 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1824960438 MMQXFHBUUQNQNA-QHCPKHFHSA-N 475.098 5.301 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827680456 ZWBVRPDZJNQSEM-NELJVSICSA-N 496.673 5.619 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 1827681838 SNXLULWTJUCAML-OEZBNPFGSA-N 499.076 5.564 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc4ccccc34)CC2)c1 1828138091 BJDNJOLPRMNLHS-HRFSGMKKSA-N 496.611 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1829068547 CUWSVYMWEOSSFN-GOTSBHOMSA-N 491.717 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(OC)c23)CC1 1829068654 JKMFGZQCSQLGPV-HSZRJFAPSA-N 465.638 5.402 30 20 JKED Cc1cc(C)cc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c1 1830633017 ATKQIQXWBHLJMC-NDEPHWFRSA-N 471.645 5.236 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1830765380 MBKJJVIBCOMVKC-AQBQYSGMSA-N 477.555 5.092 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830772798 DCGDJXNBQFLVPU-JOCHJYFZSA-N 466.544 5.058 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cc(Br)ccc3c2)CC1 1830931682 WYZXBALOGZHIOM-UUOWRZLLSA-N 498.465 5.443 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 1831205779 HHITUYGHGBSYGY-CLJLJLNGSA-N 486.100 5.331 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(Br)ccc2Cl)CC1 1831319523 AHENJFACURCFFL-QFIPXVFZSA-N 493.873 5.068 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1831445810 JXSWGFMXIUZYIX-NELJVSICSA-N 456.533 5.277 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1831562361 OZMPSMYJVIOVMS-GVUKDKGQSA-N 479.665 5.163 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831925920 LECFSBCOXNVLST-HPTKVVQYSA-N 490.688 5.335 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832170132 DYRABMJEXOBIJY-WATLYSKOSA-N 490.673 5.123 30 20 JKED C[C@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC=CCC1 1832406042 FIFRMQNRVYXLNE-BVAGGSTKSA-N 454.014 5.191 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)CC1 1837475979 YORKPDUUJCUTFG-QHCPKHFHSA-N 470.654 5.266 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(Br)c3ccccc13)C2 1844202330 CGJJMNGSSYDFAG-GOSISDBHSA-N 467.407 5.188 30 20 JKED C=CCNc1nc(C(=O)OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)cs1 10132726 OGGRPGWQXGBKSC-UHFFFAOYSA-N 477.011 5.509 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)cc1 10173960 BUQGXIKQKJLLEJ-UHFFFAOYSA-O 473.662 6.210 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2ccc(N(C)C)cc2)c(Cl)c1 15248366 NERHPVKAJBGICZ-UHFFFAOYSA-O 497.040 5.132 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(F)cc1 20170398 CVLANAGVYDDBMX-CYBMUJFWSA-N 450.461 5.408 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)nnc1-c1ccc(F)cc1 22300848 INWKRCYQQGNNMI-UHFFFAOYSA-N 487.560 5.253 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)c1nc2c(s1)CCCC2 23995968 WETWNOVNPNXQTK-UHFFFAOYSA-N 474.055 5.265 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(C(C)(C)C)cc2)c1 28780370 RFBSBTJYELRTQW-UHFFFAOYSA-O 476.622 6.156 30 20 JKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(NC(=O)c2ccccc2)c1 32255156 IZCGZDJNMZMZRQ-HXUWFJFHSA-N 477.589 6.453 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1Cl 107647498 QGVOGDNTPHZGTO-OAQYLSRUSA-N 477.898 6.500 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1c1ccccc1OC 254391003 BIANYXFQNDFQIO-JOCHJYFZSA-N 479.533 5.008 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCc3c(Cl)cccc32)c1 303071947 XOGQLJADROJWDG-QFIPXVFZSA-N 461.974 5.360 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccccc1N1CCCC1 303140346 DLWQURZHIVKKFG-UHFFFAOYSA-N 454.574 5.710 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(SC)cc1 480249506 IVYBTWQMRMQJGB-XMMPIXPASA-N 475.570 5.807 30 20 JKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 481142734 XZBWOVMTEQHVDU-INIZCTEOSA-N 463.921 5.219 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3c4c(nc5ccccc35)/C(=C/c3cccs3)CCC4)CC2)nc1 490773704 MGYRFGDSRYOHLO-HEHNFIMWSA-N 491.620 5.402 30 20 JKED CCCc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cccs2)cc1 497415958 IJRQQZXIIJSLGZ-DEOSSOPVSA-N 466.628 5.297 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 497992181 ZIGRYSNGVJCZIJ-UHFFFAOYSA-N 493.991 5.241 30 20 JKED C=CCN(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 501916663 QCHKUHPXRWGNJA-UHFFFAOYSA-N 454.477 5.847 30 20 JKED N#Cc1cn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c2ccc(Cl)cc2c1=O 502845488 VPHIJMZMUSHMBM-QFIPXVFZSA-N 491.334 5.151 30 20 JKED O=C(NCCc1ccc(F)cc1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502876577 NTNSQVIUVZSNPK-UHFFFAOYSA-N 480.771 5.070 30 20 JKED N#Cc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)c1 502938825 JGCKKSCXOAFDGH-UHFFFAOYSA-N 459.737 5.082 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CC2)cc1 506178650 UTOSEWOUSUMMQK-SANMLTNESA-N 458.993 5.219 30 20 JKED COc1ccccc1NC(=O)Nc1cc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)ccc1OC 509417763 QVOHLGFXNSKSSS-VWLOTQADSA-N 488.544 5.262 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(Cl)cc1 509901269 UUPBKTZAMRILQJ-VWLOTQADSA-N 485.975 5.630 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 510859098 ZNRLJFCTZBDBHP-IBGZPJMESA-N 489.963 5.590 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(NC(=O)CCC)c2)nnc1-c1ccc(Cl)cc1 511135076 NIBOGGNAWIHDSP-UHFFFAOYSA-N 469.998 5.254 30 20 JKED Cc1c([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1-c1ccc(F)cc1 511441386 QPWXWFINYSKXEL-KRWDZBQOSA-N 482.519 5.327 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(-c2ccccc2)nc2ccccn12 512213626 OJYQOEDDUOBBEX-UHFFFAOYSA-N 491.345 5.052 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 512575579 ZOJUYOVQLOVKFL-UHFFFAOYSA-N 464.974 6.157 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)c1ccc(C(F)(F)F)cn1 513206381 KNFCXZYMFNRJOG-KRWDZBQOSA-N 489.379 5.586 30 20 JKED Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 515578220 MYBVJTPQHZGPNH-HHHXNRCGSA-N 469.585 5.423 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 516711219 RWEYWDXNIGVZKO-KRWDZBQOSA-N 497.580 5.302 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 517077690 AZVGFQPRIJZWCA-UHFFFAOYSA-N 460.374 5.622 30 20 JKED C=CCN(C(=O)Nc1ccccc1CN1CCc2ccccc21)[C@@H](C)c1cccc(-n2cnnn2)c1 517530105 NITPNMRMKXDVLX-NRFANRHFSA-N 479.588 5.006 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 518158742 MLMNKVKJQNOJQH-AOMKIAJQSA-N 456.011 5.578 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccc(Cl)cc1 521264824 OVFSNQRDDQTEKF-HNNXBMFYSA-N 454.889 5.726 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nnn1-c1cccc2cnccc12 521762252 GNBAJDHUCUOCID-UHFFFAOYSA-N 474.524 5.021 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(F)cc1Br 524383796 WRZVJLBUFRCZSG-UHFFFAOYSA-N 475.339 5.148 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 574670102 ZDDZGQIWXBLFMI-UHFFFAOYSA-N 466.562 5.379 30 20 JKED Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCCC2)c1 603623677 LYRCABMHIXMXAC-UHFFFAOYSA-N 475.570 5.088 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)c(OC)c1 603691294 NQCLHORVPCMKHT-UHFFFAOYSA-N 488.544 5.183 30 20 JKED CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)cc1 603706119 BZJWOTSSSTWLKO-XMMPIXPASA-N 459.615 5.736 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 603766221 NKMGEZSQYHLBQY-NRFANRHFSA-N 472.892 5.045 30 20 JKED CN(Cc1cccc(Br)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604085666 LQCGNBYOKQHMSS-UHFFFAOYSA-N 464.363 5.758 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 608792515 MGRFTDLHRBNVOI-UHFFFAOYSA-N 479.559 5.284 30 20 JKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609079334 WXRKZASBNZNYSK-UHFFFAOYSA-N 456.546 5.506 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 609377839 PJWFBPICBNRHMK-OAHLLOKOSA-N 471.376 6.125 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609401332 KAJVACOGNCWIRY-UHFFFAOYSA-N 489.441 5.327 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 611828912 AIMRZUAMPNUDNU-QWRGUYRKSA-N 481.387 5.279 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642386953 WKEIEWBGWSYRGO-MYJAWHEDSA-N 456.736 6.390 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642956116 NLUJUSKBHNTCAW-MRZWPUFCSA-N 496.336 6.105 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)nnc1-c1ccc(Cl)cc1 643191896 LFMADWHBUMMIOJ-UHFFFAOYSA-N 484.025 5.418 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(Br)cc3)n2)nnc1-c1ccoc1C 645079653 JQPYWYYNGHSAQC-UHFFFAOYSA-N 473.421 6.211 30 20 JKED Cc1nc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)sc1SCC#N 725719646 SMRXTOQNEJIRMP-UHFFFAOYSA-N 461.410 5.490 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 726322979 UKHFCAQENGSWOR-KVZIAJEVSA-N 491.579 6.137 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(OC)c(F)c1 726409725 CMQDNVYMDZPEPC-GOSISDBHSA-N 495.548 5.295 30 20 JKED N#Cc1ccccc1NC(=S)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 726750095 DWHVRHHOANMALN-UHFFFAOYSA-N 460.946 6.255 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2C2CCCC2)cc1Cl 726893370 ZWBVAIBTHPVSSZ-NRFANRHFSA-N 488.009 5.260 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727626433 BXEVRSVYTCXYCO-HNNXBMFYSA-N 473.385 5.167 30 20 JKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc(-c2c(F)cccc2F)cs1 727632562 VJBOQAWNRHGQJX-OAHLLOKOSA-N 480.565 5.791 30 20 JKED CCOC(=O)c1oc2ccccc2c1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 727858124 VCIUHGAOAZGNJK-UHFFFAOYSA-N 470.550 5.703 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)cc1 728779275 XSEKYDDWNPNYMY-NRFANRHFSA-N 485.009 5.393 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\[C@H](C)c1cccs1 729632984 UMWXKKJECYCSFO-JBWIOHFISA-N 482.606 5.181 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(C3CCC3)C2=O)c1 730459672 LTJSDDJTPDJUED-OAQYLSRUSA-N 488.009 5.178 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cocn3)C2=O)cc1Cl 730712659 HNCCVWYWXYBUJZ-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2cocn2)c1 730713958 UUUHHEYPLDUKRI-LJQANCHMSA-N 488.491 5.162 30 20 JKED CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(Cl)cc1Cl 730936198 BLJQNLDOQYPOHV-ZDUSSCGKSA-N 485.437 5.141 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 730953463 HEDUEMRHZLJEEY-PZJWPPBQSA-N 492.670 5.712 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 730997227 MQRJBTOMQIHFLV-UHFFFAOYSA-N 465.862 5.074 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731040277 PPYAHBQXIBDJCQ-INIZCTEOSA-N 471.051 6.100 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 731288808 XGXQSGXECOQLMS-NNLIFQQMSA-N 473.642 5.340 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 731332154 FAAIPFPEQMUQLW-FHHIAAGZSA-N 487.697 5.762 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(C)Cc2ccc(Cl)c(Cl)c2)c1=S 732441843 HUMWYCDNQWJOSD-UHFFFAOYSA-N 454.471 5.025 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c1 743524119 HFGDJCGJATUBCB-QHCPKHFHSA-N 490.535 5.305 30 20 JKED C=CCc1cc([C@@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2)cc(OC)c1O 747141009 VBCRDKLBHATFBN-VWLOTQADSA-N 485.609 5.478 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1ccc(Cl)c(Cl)c1 747600299 PGOIHOPAQHFBMA-GOSISDBHSA-N 491.425 5.610 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2nccs2)cc1 747601851 HPRVCZSOVUOCLG-OAQYLSRUSA-N 478.643 5.217 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cscn1 747602995 OAIQPDJHGGAJSR-HXUWFJFHSA-N 486.569 5.144 30 20 JKED N#Cc1cccc(Oc2ccc(NS(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)cn2)c1 747695806 QXWZYDOIMJWEPG-UHFFFAOYSA-N 469.469 5.076 30 20 JKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(N(C)C)cc2)CC3)n(CCC#N)n1 748638928 VQSKEQNTPLXMPK-UZYVYHOESA-N 476.584 5.459 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 799219089 LEGMVPJFDMCLSU-HNNXBMFYSA-N 477.842 5.141 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)OCC(=O)Nc4ccccc4SCC#N)cc3)o2)c1 904162276 YQBFQCFBORPRHY-UHFFFAOYSA-N 484.537 5.123 30 20 JKED N#Cc1ccccc1OCc1ccc(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)o1 904487847 DOUXQAZAPICTSN-UHFFFAOYSA-N 460.453 5.181 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](C)Cc2ccco2)C1=O 914694993 ZZQOCHXHFOOMSH-OPAMFIHVSA-N 498.004 5.533 30 20 JKED COc1ccc(-c2nn(CN(C)Cc3ccc(C#N)cc3)c(=S)n2C2CCCCC2)cc1OC 914783159 IQZJYBVXIDKUKM-UHFFFAOYSA-N 477.634 5.565 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN(C)Cc2ccc(OC)c(OC(F)F)c2)c1=S 914784238 CSYOCKAZNCJXTL-UHFFFAOYSA-N 460.550 5.275 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 914887923 PBNMKDPOQXNXAU-MHZLTWQESA-N 450.538 5.394 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2cccs2)cc1 915741315 RPPFNHXGFRJBJK-XTEPFMGCSA-N 493.632 6.200 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=S)Nc3ccccc3C#N)c2)c(C)c1 915994124 HOBGFRDIQRPUJY-UHFFFAOYSA-N 450.589 5.093 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916057905 YXDIEMJIGMXDPO-RSXGOPAZSA-N 457.961 5.470 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 916213667 FELYLMFCVNSZNB-QHCPKHFHSA-N 491.569 5.041 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(OC)c3)C(=O)N2Cc2ccco2)cc1 916214562 ORTBVCXRZQOACM-QHCPKHFHSA-N 493.585 5.020 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)c2ccc(OCC#N)cc2)cc1OC 916549342 MGTSVOKKBPVVFH-UVTDQMKNSA-N 479.536 5.414 30 20 JKED CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 916686454 LRSXRIGHQVZYNR-UHFFFAOYSA-N 451.530 5.181 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905389 KINYWUIKNMYYNH-OAQYLSRUSA-N 485.540 5.935 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccc(Br)o1)C(=O)Nc1ccccc1Oc1ccccc1 916910810 UNBFWVJOOLXGAW-DPCFLFMUSA-N 451.276 5.195 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1 917020782 OXJHBCBPZYKORB-AREMUKBSSA-N 497.595 5.226 30 20 JKED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 917036135 YUTOUMNEOONXLV-HSZRJFAPSA-N 482.458 5.188 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 917426580 KQKLKFBNJVJRSU-PXAZEXFGSA-N 459.493 6.098 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 917505825 QEGKREALSYBHJU-QGZVFWFLSA-N 487.537 5.397 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 917506705 FNCIQMGIFSWWBJ-XMSQKQJNSA-N 459.546 5.041 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)s3)C2=O)c1 917675717 XZXCIEBVLLHVAN-OAQYLSRUSA-N 465.600 5.226 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CCN(CC3CC3)CC2)C1=O)Nc1ccccc1 917681548 PJHWUKVCYVHUTA-QHCPKHFHSA-N 497.064 5.175 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2)CC1 917681707 QXYWFKVOSFPMFN-JOCHJYFZSA-N 499.080 5.563 30 20 JKED N#Cc1c(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)sc2c1CCCCCC2 917784188 VOIIEIMSPQGXSG-UHFFFAOYSA-N 454.573 5.098 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cc(Br)cs3)n2)cc1Cl 918486214 DZXRRWUDEPXGFT-LLVKDONJSA-N 496.795 5.257 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 919713917 KSRDEJOZZZEYTL-SFTDATJTSA-N 464.352 5.640 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 919904745 KFHJLBNRVBJZNF-UHFFFAOYSA-N 458.587 5.534 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)C2)c1 920141188 MVXZRFASDAZRSC-GMAHTHKFSA-N 468.582 5.027 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1OC 920141494 PFQNWSNCVGQDRM-LJQANCHMSA-N 486.578 5.241 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccccc3F)n2)c1 920732812 NNLXTOACYZJOHQ-QGZVFWFLSA-N 451.523 5.058 30 20 JKED O=C(Nc1ccc(NC(=O)C(F)(F)c2ccc(F)cc2)c(C(F)(F)F)c1)c1ccc(F)cc1 920844142 VFFCJJDPBXYJKU-UHFFFAOYSA-N 470.344 5.966 30 20 JKED N#CCCn1cc(C(=O)OCc2csc(C3CCCCC3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 920907391 CHENKNSMAZEBSY-UHFFFAOYSA-N 465.535 5.233 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C2)C1 1780205051 PSFXJJDSJWDAOP-YUDQIZAISA-N 485.628 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C2)C1 1785234167 SEOKEMAUUOYYGH-QFIPXVFZSA-N 473.828 5.083 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)CCCN(C(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785809163 WPPYPGSBUCVAJX-MUUNZHRXSA-N 495.664 5.514 30 20 JKED Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(C#N)cc5)cc4)CCC3)ccc2[nH]1 1785882789 SIPVEOLJIOUDGG-UHFFFAOYSA-N 462.553 5.338 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)CC)CCC2)cc1 1786545266 WGAVNNKTERCSFU-GHTZIAJQSA-N 457.615 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789626168 CDWSSDXRWOIJFW-UHFFFAOYSA-N 483.653 5.370 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)sc4Cl)cc3)CCC2)c1 1789905081 HQFUIBCQJBXBIP-UHFFFAOYSA-N 459.358 5.316 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)CCC3)cc2)cc1 1790706487 HGDGMFCVTYDYPK-UODIDJSMSA-N 479.605 5.388 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](S)C(C)C)CCC3)cc2)cc1OCC1CC1 1790740778 SWZFAXCFOPCKGX-XMMPIXPASA-N 482.646 5.186 30 20 JKED CC(C)(C)n1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cn1 1790764221 QDSLFZCIGCNUPZ-UHFFFAOYSA-N 475.980 5.225 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cc1 1790767765 JOFQSAOMGBGRJL-UHFFFAOYSA-N 468.944 5.339 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cnoc4C4CC4)CCC3)cc2)cc(C(F)(F)F)c1 1790785012 KPYPHHSYIPWLNH-UHFFFAOYSA-N 494.473 5.504 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791253878 JSRLQFQNOLDKML-AFMDSPMNSA-N 487.616 5.072 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(Br)c4[nH]3)CCC2)cc1 1791588950 NKKIAGVVZYXSKK-UHFFFAOYSA-N 452.352 5.254 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Cl)cc3OC)CCC2)cc1 1791730919 ZXXUQOVACMZWSM-UHFFFAOYSA-N 452.982 5.219 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCC(=O)OC(C)(C)C)CCC3)cc2)c1 1792123331 UVHDPAGKLHFLEM-HXUWFJFHSA-N 489.616 5.573 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4ccc(Br)cc4s2)C3)cc1 1799666476 XTIXCCQEWJFBEQ-ACDBMABISA-N 494.414 5.101 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(Br)cc1Cl 1800406217 ZBYJXYCIKGRYTC-FZKCQIBNSA-N 483.809 5.262 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)cc1 1801202899 CVYABEDDSISZLY-NUNAXRQHSA-N 477.564 5.342 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(Cl)s2)[C@H]1c1cccnc1 1804280340 SPBVISWMELDYSS-XMSQKQJNSA-N 460.043 5.037 30 20 JKED CC(C)[C@H](C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1)c1ccccc1 1804755428 VJXDPLNLKOYAEF-NDEPHWFRSA-N 471.645 5.162 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)Cc4ccc([C@H](C)C(F)(F)F)cc4)CC3)C2)C1 1804785543 JMXWORKODLTPOI-IBGZPJMESA-N 462.556 5.092 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)CC2)C1 1805046184 RERYRDQDEHLYKI-UHFFFAOYSA-N 495.623 6.027 30 20 JKED Cc1csc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)C2)c1 1807051070 PICFMTPFANPEGP-UHFFFAOYSA-N 470.038 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1807730123 UJCBREASAXIGHR-JPYJTQIMSA-N 497.064 5.657 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cc4nc(C)ccc4o3)C2)CC1)c1ccccc1 1810272223 NQYMIDMITSMALU-DEOSSOPVSA-N 483.612 5.178 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)CCC#N)[C@H]2c2cccnc2)cc(C(C)(C)C)c1 1811412368 JSKRAEDEQZOLJB-LVXARBLLSA-N 474.649 5.300 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811459832 FEABFBFDDBISQE-JPYJTQIMSA-N 490.406 5.616 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1811714182 ZEKHQMNUJWZNGF-WMZHIEFXSA-N 472.416 5.476 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c(Cl)c1 1811745887 OTJIGMRIZRDYSB-AJTFRIOCSA-N 494.982 5.393 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)c1Cl 1811799562 AKEIDORLQBJLJR-RDPSFJRHSA-N 493.394 5.202 30 20 JKED Cc1ccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(C#N)ccc4F)[C@H]3c3cccnc3)sc2c1 1812221351 JSCKIUSHRRZCOR-LVXARBLLSA-N 498.583 5.249 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812584151 HAHRTRKMSLDYEB-BIGKGVTBSA-N 471.523 5.032 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3occc3n2-c2ccccc2)[C@@H]1c1cccnc1 1813227120 FOXGSRGRZRGXIN-RNWIMVQKSA-N 494.595 5.132 30 20 JKED Cc1cc(C)cc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1813244833 NHLXWDBFKGNADS-KNHXXRFOSA-N 494.639 5.278 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3c(F)cccc3Cl)n[nH]2)c1 1814673123 YUUQZERAISETFI-WAIKUNEKSA-N 493.970 5.378 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)[nH]n2)c1 1814739671 ZZEMHJUNUNNCFP-SANMLTNESA-N 494.599 5.020 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1815246228 ZLONXIYKFYZHLA-PXNSSMCTSA-N 460.987 5.070 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)n[nH]1 1818161082 BBXZTAIBQHTPDD-NRFANRHFSA-N 490.633 5.311 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1sc2ccccc2c1Cl 1818606719 BRZHMOJATFMORU-NPSPNJCMSA-N 495.992 5.296 30 20 JKED Cc1cccc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)[nH]c12 1819000976 UQXOPCKXTSJAMA-UZLBHIALSA-N 483.597 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1819307651 KDUUZPYFKVICHI-UWJYYQICSA-N 466.969 5.884 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)[nH]n1 1819309495 VPESNEACCUSTDY-GHTZIAJQSA-N 471.001 5.536 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)[nH]n1 1819310199 UAQWLDNOMSGICB-NOOIUNMQSA-N 477.653 5.253 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)nc(C(F)(F)F)c2)[nH]n1 1819555618 PZVWOIDMCHJKHR-QGZVFWFLSA-N 493.530 5.130 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)nc2)n[nH]1 1820036459 WWDSTPBPSKMCPO-RDGATRHJSA-N 469.589 5.546 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1cccs1 1820223626 NEGPYQVJWOBECV-RDTXWAMCSA-N 467.982 5.106 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)cc1 1820433071 QSQSADJZXYCYMD-FQEVSTJZSA-N 482.371 5.137 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4sccc4Cl)sc3C2)c1 1820894121 KTTBYFDGZGJQAY-WFASDCNBSA-N 471.007 5.025 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1821987514 ATOPIBLMJMULBX-LJQANCHMSA-N 460.525 5.104 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)[nH]n1 1822579598 HUJSRAWGZKSTHE-IRPSRAIASA-N 486.616 5.310 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1sc3ccccc3c1Cl)CC2 1823085483 KTHYJXLJIMTPMV-QWHCGFSZSA-N 491.038 5.038 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[nH]n1 1823421301 WNEJUBUFHQJXRX-BVAGGSTKSA-N 476.527 5.327 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603344 ZINWKHMOMWDZRK-XMMPIXPASA-N 476.646 5.415 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1823812736 NQMOYZYNGUVOAA-DEOSSOPVSA-N 489.616 5.388 30 20 JKED C[C@H](c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)cc1)C(F)(F)F 1823887858 QAJPEURRKOJGDB-GCJKJVERSA-N 477.571 5.064 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCCC3)CC2)ccc1Br 1826263951 GGAABOVGMYUPNQ-QHCPKHFHSA-N 486.454 5.134 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826779845 ZLFZPNVXLYQHFM-MBPHXRIUSA-N 495.667 5.036 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 1828906841 KWEWPWHFTACWLQ-DEOSSOPVSA-N 474.668 5.249 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)nc2)CC1)c1ccccc1 1829029326 BHLPTRQJGVGPLC-DQEYMECFSA-N 478.036 5.166 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1)c1ccccc1 1829030823 UAFOZMMVAQBARM-KAYWLYCHSA-N 488.676 5.069 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2OC)CC1)c1ccccc1 1829033385 VMLVJMDFMLXXGQ-ZEQRLZLVSA-N 478.658 5.187 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)c(OC)cc(OC)c2F)CC1 1829067199 FMEGULNNWCIFBM-LJQANCHMSA-N 492.607 5.208 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 1829068539 CEBYCDUBJHALMY-QFIPXVFZSA-N 450.545 5.330 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1 1829899775 UTAOHKWAOCRMBB-JOCHJYFZSA-N 471.935 5.037 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830448891 DRXFSXHGTXATPZ-VPUSJEBWSA-N 479.571 5.422 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830627090 LOIFYPWWXVDOFC-QFQXNSOFSA-N 475.658 5.167 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)ccc1F 1830723299 ZZVUQVZEZBCSFU-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)CC2)C1 1831015659 DAOGRDHGRUWTOJ-XMMPIXPASA-N 451.998 5.088 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCC2)CC1)c1ccc(O)cc1 1831921274 NKFXDGUCDNBPKN-BDYUSTAISA-N 464.650 5.089 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2F)CC1)c1ccc(O)cc1 1831924217 JILYSRPJLXATKT-BKMJKUGQSA-N 494.582 5.101 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1F 1832616354 LXUOZKICIDRPLC-CYFREDJKSA-N 479.571 5.447 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1832629467 RLKPXGUAWFBYNI-SIBVEZHUSA-N 496.026 5.582 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)c1 1832632216 MQLOSCQABXZYQX-YKSBVNFPSA-N 453.602 5.219 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832988447 JOGGKNYCAUHMMN-DWIDQOEJSA-N 495.667 5.669 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)C1 1843611892 REHPSQUGCFZDRP-QFIPXVFZSA-N 465.981 5.113 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)C1 1844752521 OCESDIDJLMNRAK-UHFFFAOYSA-N 454.998 5.311 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC23CN(C(=O)c2cccc([C@H](C)C#N)c2)C3)cc1 1845444095 DQZBJYNETULYDH-JOCHJYFZSA-N 463.581 5.420 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccccc2CC)cc1 10173427 NCFCVAWJVPZUSF-UHFFFAOYSA-O 468.440 5.912 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)c(C)s1 11114394 HOGQRKAHUWVWHH-UHFFFAOYSA-O 465.592 5.724 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3nc(SC)ncc3Cl)c2C#N)C1 11572802 HUINQKGITPWXLI-GFCCVEGCSA-N 493.054 5.122 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1nc(-c2ccccc2)cs1 12680891 YVNSWBHOXJDKSM-UHFFFAOYSA-N 452.536 5.311 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1Cl 14133510 VRNZBRWIFNZGND-UHFFFAOYSA-N 453.782 5.822 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)nc2sccc2c1=O 17655219 ZORICSUEJAUSAF-HXUWFJFHSA-N 467.641 5.012 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccc(OC)cc1 18974971 XFCSMYKRYKJMKI-GOSISDBHSA-N 458.587 5.262 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 23501033 YYNVSKXRWJFPFX-AWEZNQCLSA-N 491.063 5.753 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nnc(-c2cccc(C)c2)o1 26433745 OOUXPIQDGUFBDS-INIZCTEOSA-N 451.527 5.394 30 20 JKED C=CCn1c(SCc2cc(Br)ccc2OC)nnc1[C@@H]1COc2ccccc2O1 27128673 NUNLUDBPZVFIQW-IBGZPJMESA-N 474.380 5.040 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C)ccc1Cl 28494391 FHNVQPLBERQHRI-MRXNPFEDSA-N 467.418 5.389 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)c2)c1 32289376 YDEMLCKQRKGKMY-UHFFFAOYSA-N 485.547 5.696 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n([C@H](C)COC)c2C)nnc1-c1ccc(Cl)cc1 33474819 TZEUNQCMHOIQRU-MRXNPFEDSA-N 459.015 5.385 30 20 JKED C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)SC1=S 69130183 MASGTTCJNJRPLR-STZFKDTASA-N 471.563 5.033 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc2cc(Cl)ccc2s1 71951674 ILBVABQKIMTFPE-FQEVSTJZSA-N 485.952 5.278 30 20 JKED C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 209598983 FGHXAYCAVNFBJT-LSPPGFKNSA-N 485.613 5.343 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 479861203 INWPGHJKKNCVHQ-PXNSSMCTSA-N 486.638 5.020 30 20 JKED C=CCN(C(=O)c1oc2ccc(F)cc2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491055781 AZQRRCIJDMCPLB-UHFFFAOYSA-N 470.547 5.240 30 20 JKED Cc1cc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1NC(=O)c1ccco1 498122771 MERVYRJWHWDTEO-INIZCTEOSA-N 462.575 5.482 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 498380824 PAWHUQOJJOZQFR-UHFFFAOYSA-N 473.429 5.121 30 20 JKED C=CCN(C(=O)c1csc(-c2ccccc2)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 500513366 ZKUSLDORXHCCMP-UHFFFAOYSA-N 481.624 5.170 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 502557366 CNGYQEMLOKKHFJ-HXUWFJFHSA-N 472.564 5.561 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 508166325 ZJBAYGQDUDTXTA-UHFFFAOYSA-N 493.563 5.681 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1Cl 508364518 ZANJBIYOIRTMCM-XMMPIXPASA-N 490.966 6.017 30 20 JKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(OC(F)F)c1 510090743 SCCJCXKTCZJJGJ-GFCCVEGCSA-N 461.519 5.186 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510231955 ZNTRAEYEHYIBQR-MHECFPHRSA-N 492.044 6.312 30 20 JKED CCCCCn1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc2c1=O 513239558 ZSKOBHDKGPWQCC-KRWDZBQOSA-N 478.524 5.478 30 20 JKED Cc1cc(C)c(-c2csc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1C 513780172 RFNMILANYTXASK-UHFFFAOYSA-N 487.585 5.710 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)ccc1Cl 514734130 LKKZMEKNBQWRGI-UHFFFAOYSA-N 476.989 5.088 30 20 JKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1NC(=O)c1ccco1 515321954 QZYYKWKJNBIVBD-QGZVFWFLSA-N 461.587 6.177 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)sc2c1CCCCCC2 515677536 HJOTVERQRNSGGN-UHFFFAOYSA-N 457.546 5.048 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 517468286 LFLWFFYLOGKVSM-OAHLLOKOSA-N 499.967 5.656 30 20 JKED Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 519037532 FYOYRWPTDOSQBM-QHCPKHFHSA-N 496.571 5.092 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 519889955 YJUAZVZKQQTILK-HNNXBMFYSA-N 450.507 5.591 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(c4nccs4)CC3)cc2Cl)cc1 521272645 MRCZASUWDOIYND-UHFFFAOYSA-N 453.955 5.205 30 20 JKED COc1ccc2c(-c3ccccc3)c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)oc2c1 521286658 DNEOVGMNARINQI-GOSISDBHSA-N 457.436 6.343 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1Cl 521475033 NKEKKAXTTNZOLB-LJQANCHMSA-N 481.968 6.314 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 521608446 RGGSBHJTDXYLMO-UHFFFAOYSA-N 472.303 5.394 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 521710788 BUOBRVFPKQAGQI-UHFFFAOYSA-N 488.422 5.679 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)cc1 521810550 UGKSOQWXOKCKSI-KDOFPFPSSA-N 476.396 5.269 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccc(F)c(Cl)c1 524582062 HSRPPXSCGSRZBB-LBPRGKRZSA-N 473.867 5.260 30 20 JKED C=C(C)COc1cccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 589552787 JCZRGPBRPFXXAQ-UHFFFAOYSA-N 469.335 5.431 30 20 JKED C[C@@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(Br)c1 594837324 BQPLBTOLWJTMTL-FBIMIBRVSA-N 479.234 5.858 30 20 JKED CN(c1ccc(Oc2ccc(C#N)cn2)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 602370226 MWSZQJIRWAMPPM-UHFFFAOYSA-N 467.856 5.243 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)c2)cc1 603920885 FNWSXSDNGCZEIN-HSZRJFAPSA-N 477.973 5.427 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1Cl 603987346 KFPUYOBQOOUPND-UHFFFAOYSA-N 459.015 5.181 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)sc2c1-c1ccccc1CC2 603991950 IBSUNPHHTZGIHW-UHFFFAOYSA-N 477.536 5.154 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 604535280 TYIUKFLOSXBJIF-UHFFFAOYSA-N 494.580 5.008 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc1 608945771 ZWIKXFUTYWXJCC-NRFANRHFSA-N 464.509 5.150 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H]1CCc2ccccc21 609088509 BLXXPIIHJNGKDE-MHZLTWQESA-N 467.569 5.310 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 609226818 NEFOATMZILXADT-HSZRJFAPSA-N 474.948 5.304 30 20 JKED Cc1ccc(NC(=O)NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1 609387240 UVHIATIQXOGMAK-HNNXBMFYSA-N 464.513 5.477 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 609434921 BTEYIULMVSVNOI-IBGZPJMESA-N 488.613 5.800 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 609436131 GIKJFFZQEYDMQF-FQEVSTJZSA-N 486.641 5.064 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 610926928 XSIYQHCTGNSFPC-VWLOTQADSA-N 470.573 5.012 30 20 JKED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 612894726 LSMGTZLESAHHMM-FQEVSTJZSA-N 486.018 5.128 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 623050366 BXKTXVGEQYBHAU-RTWAWAEBSA-N 477.678 5.004 30 20 JKED O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)c(C(F)(F)F)c1 642193519 PJAKQAHCZYWEGQ-HTQZYQBOSA-N 477.776 5.547 30 20 JKED C=CCN(C(=O)CCn1cnc2ccccc2c1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 680968794 AHQQOEMEVOFQFC-UHFFFAOYSA-N 485.396 5.436 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726407439 RPZYCJIMFIKZQL-QFIPXVFZSA-N 499.036 5.215 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2)c1C 727252480 DUJKXPGYKWOHSC-QHCPKHFHSA-N 493.608 5.128 30 20 JKED COc1cc(/C=C\C(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1OCc1c(C)noc1C 728015118 XDCSRSXZHYDUEK-TWGQIWQCSA-N 469.444 5.004 30 20 JKED CCn1c(S)nc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)ccc2c1=O 728029095 HPTBBWMYVMNNDA-UHFFFAOYSA-N 490.972 5.061 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 728119137 IZRHLXZOEKVQOO-RUZDIDTESA-N 471.557 5.364 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)cn2)cc1 728150406 QGABJLOQPNBOFL-OAQYLSRUSA-N 480.446 5.067 30 20 JKED Cn1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 728156624 KRYLRYMOYMWSOQ-RUDMXATFSA-N 465.359 5.094 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1C 728424291 YBVAXWIBXPWABM-CYFREDJKSA-N 483.597 5.292 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 728425047 AAUUIIDPRYBRHW-UHFFFAOYSA-N 493.614 5.312 30 20 JKED C#Cc1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(OC)c(Br)c2)c1 728453024 UVNNGSYVMOWPHR-QFIPXVFZSA-N 451.389 5.515 30 20 JKED Cc1ccc(NC(=O)C(=Cc2ccc(O[C@@H](C)C#N)cc2)C(=O)Nc2ccc(C)cc2C)c(C)c1 728695745 FKGDEMXRGSBHRP-QFIPXVFZSA-N 467.569 5.872 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 728767246 YPBITERTEBPQRH-KXBFYZLASA-N 479.631 5.295 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c1 728780707 XJCPVADPXNHMKO-NRFANRHFSA-N 452.555 5.042 30 20 JKED Cc1ccccc1CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 729559655 SBNBJEDCHNXNNW-WCTVFOPTSA-N 490.629 5.042 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccc(C)cc2)c1 729667824 RPYDGEMWZIGJMN-UHFFFAOYSA-O 477.534 5.028 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1 729889079 POSVQMOAIGOLHR-KWALNSLNSA-N 489.616 5.330 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1 729892383 WUQQWXLTQMQZBS-SFTDATJTSA-N 461.587 6.033 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3sccc3SC(F)F)s2)c(C(F)(F)F)c1 730476419 CAFNFSMMASUHAI-UHFFFAOYSA-N 475.489 6.253 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2Sc2ccccc2)cc1 730683539 IYINTRWEWUMEEN-SANMLTNESA-N 477.589 5.748 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 730996160 VZAAFHDPYYWOTL-HXUWFJFHSA-N 461.509 5.186 30 20 JKED COc1ccccc1-c1nc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1 731079479 WMWATISVJHFFAV-HNNXBMFYSA-N 467.572 5.008 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 731126353 UBSKFDHFTUPQEI-YESZJQIVSA-N 479.568 5.467 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1Cl 731305105 GYHAJRRZSBURFD-ORAYPTAESA-N 496.416 5.084 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2cccs2)c1 731310106 AGMDLGYYZFWBBY-KSFYIVLOSA-N 495.626 5.054 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCOc1cccc(Cl)c1Cl 743449925 WIOHPAVUFZUTAO-CYBMUJFWSA-N 469.752 5.470 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 743523654 AZCQACYQOPCJBB-QFIPXVFZSA-N 499.608 5.055 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 746698026 SDYNFNJAVABFOW-JOCHJYFZSA-N 488.053 5.734 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2C)n1 748036884 UMHJXUVROBHHPZ-HSZRJFAPSA-N 488.613 5.176 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 750703538 AJRAJSIPMXZRCE-UHFFFAOYSA-N 456.546 5.622 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)CON=CC(=O)Nc1ccccc1Br 813194442 YDJCLTLHVUYUHX-UHFFFAOYSA-N 460.372 5.276 30 20 JKED C#Cc1cccc(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)c1 819395232 LQZGVZVYEIRTCJ-UHFFFAOYSA-N 459.621 6.189 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C3CC3)CC2)cc1 837367099 GHHGVXVEPDLPJL-VWLOTQADSA-N 490.673 5.397 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 837959391 NCOHYHQXZJXIMW-VFNWGFHPSA-N 499.423 6.110 30 20 JKED N#C[C@@H](C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1nc(-c2ccc(Cl)cc2)cs1 915101754 KRUXQXYDMSPIDT-IBGZPJMESA-N 462.962 5.057 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)[C@H](C#N)c4nc(-c5ccccc5)cs4)CC3)c2c1C 915101960 LHYYWAGLSPASIX-IBGZPJMESA-N 473.627 5.525 30 20 JKED CSCC[C@H](NC(=O)c1ccco1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102610 AETILPUAMZBAFE-HOCLYGCPSA-N 494.425 5.438 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 915353825 XZNNMLBQCYQAQG-JOCHJYFZSA-N 462.956 5.484 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1csc(-c2ccccn2)n1)C(=O)c1ccccc1 915987326 CZBZTJMDNABCNV-HAVVHWLPSA-N 467.594 6.235 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(C)cc2)C1=O 916205482 OSWVNZDTJJWONO-QHCPKHFHSA-N 459.571 5.164 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O 916206055 VKNSNGMBQQPYSI-JOCHJYFZSA-N 463.559 5.229 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(C[C@H]3CCCO3)C2=O)c1 916207049 XDSPOSMHCIFNSI-GCJKJVERSA-N 486.037 5.405 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(OC)ccc3OC)C(=O)N2Cc2ccco2)cc1 916213524 FWKHHUAPGBJJOH-QHCPKHFHSA-N 493.585 5.020 30 20 JKED Cc1nc(NN=C2C(=O)Nc3c(Br)cc(F)cc32)c2cc(-c3ccccc3)sc2n1 916312236 PFPSEYIGGSSBRP-UHFFFAOYSA-N 482.338 5.337 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)c1 916896472 IIQZFSKGMLALOQ-IBGZPJMESA-N 462.962 5.378 30 20 JKED COc1ccc2c(C)c(CCC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc2c1 916911945 YNLWAFCUTOBGCN-QHCPKHFHSA-N 496.519 5.183 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916916531 VJWMNWSJMDLFTI-IBGZPJMESA-N 454.507 5.301 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)cc1Cl 916939451 SDRXVDWURZIBKL-KRWDZBQOSA-N 477.973 5.689 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)ccc1OC(F)F 917563605 PRQHAIHTJMWFAQ-JXMROGBWSA-N 458.486 5.642 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccc(F)cc2)n1 917678327 SFVSXSAGDBHCGO-OAQYLSRUSA-N 497.983 5.046 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccc2COC(C)C)C1=O 917700569 JOEYSGAXEHPNSS-XMMPIXPASA-N 475.614 5.033 30 20 JKED N#Cc1ccc(S(=O)(=O)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)c(C(F)(F)F)c1 917868347 SINSCMSIRLJUJZ-UHFFFAOYSA-N 471.412 5.118 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc(-c2ccccc2)cs1 918491512 BEYMZJFZQARVQI-MRXNPFEDSA-N 455.992 5.254 30 20 JKED CCCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@@H](C)c1cc2ccccc2o1 919775127 XEELCQNOFMLODX-PCGXCULLSA-N 482.606 5.251 30 20 JKED N#Cc1cccnc1NCCNC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 919908735 KODQWBNPNQQNND-UHFFFAOYSA-N 469.467 5.018 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 920108769 JKVOYJXNWDKFJP-CZUORRHYSA-N 474.369 5.618 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3coc(-c4ccccc4)n3)n2)cc1 920138648 HGAUVUHDPBYKLV-HXUWFJFHSA-N 461.568 5.583 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc2c(c1)CCC2 920175475 IGKGLYQCLFNVBJ-HXUWFJFHSA-N 473.520 5.340 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3c(C)noc3C)C2=O)cc1 920351984 HHBBIWPCCDPHCD-JOCHJYFZSA-N 476.602 5.377 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(C)c(C)c2)no1 920353561 MTPKKXXNSLARBB-NRFANRHFSA-N 484.528 5.039 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3c(C)noc3C)C2=O)cc1 920356012 RMMJHWXWRCNXSH-OAQYLSRUSA-N 482.993 5.414 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805221 BABHRUOSIYTUCT-APWZRJJASA-N 485.581 5.125 30 20 JKED N#CCCN(C(=O)COC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1cccc(Cl)c1 921221824 FZYUIZUNNGSKNQ-UHFFFAOYSA-N 494.787 5.874 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@H](C)COCC(F)(F)F)C2=O)cc1 921253471 PVCFVMDOBZIMHN-DNVCBOLYSA-N 497.514 5.062 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)COCC(F)(F)F)C2=O)cc1 921255027 WLCKEYCBFWWXGU-BEFAXECRSA-N 497.514 5.062 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOCC(F)(F)F)c1 932756312 LHAFSISUCPQLGK-HXUWFJFHSA-N 493.551 5.151 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2ccccc2C)C1 1777758152 NYNQPYJPBNNMMX-FYBSXPHGSA-N 489.660 5.177 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4Cl)cc3)CCC2)c1 1785756333 QJDOVPAODIPLRA-KRWDZBQOSA-N 458.949 5.424 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCCC3(F)F)CCC2)cc1 1786366266 XRCDYTXQLFORNG-HSZRJFAPSA-N 452.517 5.021 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ncc(C)s3)cc2)CCC1 1787215848 BOGFYWIZXGYSBJ-FQEVSTJZSA-N 498.649 5.059 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)Cc3cccc(C(F)(F)F)c3)CCC2)cc1 1789578185 CVAOALGBLOKCGZ-OKCVXOCRSA-N 483.490 5.094 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)cc2)CCC1 1790015779 ZFACQPOTAOWZIC-UHFFFAOYSA-N 474.564 5.458 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4C(F)(F)F)CCC3)cc2)cc1 1790706520 IOUBUFDZQPTMBV-UHFFFAOYSA-N 478.474 5.228 30 20 JKED CC(C)c1cc(Br)cc(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)c1 1790800382 KNDAVNNIQKLQLP-UHFFFAOYSA-N 468.395 5.624 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccsc5[nH]4)cc3)CCC2)c1 1790877316 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C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)CCC2)cc1 1792267207 LJULNBVJGXWSTB-UHFFFAOYSA-N 495.604 5.565 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cncc4s2)C3)c1Cl 1799302932 TWEXCHXZZDGJPM-QDMKHBRRSA-N 485.396 5.040 30 20 JKED Cc1cc(Br)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)cc1F 1800842625 LPZWGINWPKAGHQ-GEALJGNFSA-N 498.396 5.089 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)[C@@H]2c2cccnc2)C1 1802418053 QCUUKDJMGIIMEX-FUFSCUOVSA-N 490.607 5.287 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1802502398 CAJPXACXNXGTFN-CJFMBICVSA-N 491.035 5.595 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)Cc2ccccc2)[C@@H]1c1cccnc1 1803018243 ACJFGZAFENINEE-FTJBHMTQSA-N 459.634 5.125 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1803088216 INRGGOFRVQNOHV-RZFNWQHOSA-N 469.676 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)ccc2C(F)(F)F)C3)c1 1803682605 IYRDSPXIGHNASI-PPRPKMEESA-N 473.470 5.037 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)cc2)cc1C#N 1803833331 WXZDQXBLUGEEDH-OUOZDZGXSA-N 493.607 5.578 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3c(Cl)cncc3Cl)C2)CC1)c1ccccc1 1804734651 ZDTIMYMIRMGXME-OAQYLSRUSA-N 498.454 5.430 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccnc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1804855204 SPAGNKPFLWCFDS-UPVQGACJSA-N 462.638 5.086 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1 1805935233 ZFEGFQJCVIQWHL-JOCHJYFZSA-N 484.628 5.214 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1806684483 LZXHUBUULBFFAZ-JQYIIUTOSA-N 466.025 5.142 30 20 JKED N#CC1(C(=O)NC[C@H]2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@@H]2c2cccnc2)CC1 1806841569 KHDIHIYHBSSQLQ-AQNJTLAZSA-N 491.035 5.019 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808974653 JFHIVSXZBBZNNX-BVAGGSTKSA-N 455.602 5.547 30 20 JKED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)C1 1809298182 WIKCAPYFXRYVLF-UHFFFAOYSA-N 491.591 5.324 30 20 JKED C[C@H](S)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810401362 RWVAEGRWUWBBNA-FQEVSTJZSA-N 473.642 5.065 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1810500554 SQURRLQPRIODEK-REWPJTCUSA-N 476.646 5.312 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)c1cc2scc(-c3ccccc3)c2[nH]1 1811302891 DNMCUXMBBXIRIV-RBISFHTESA-N 494.620 5.024 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3c(Cl)c2OC)[C@H]1c1cccnc1 1811439011 SXIBZWPEACSBAD-HFZDXXHNSA-N 490.003 5.020 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1813226967 WSGIUVVHIGUJMJ-WNJJXGMVSA-N 482.628 5.002 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CCCC3)n[nH]2)cc1 1814684572 UHLSKZNUFDXOCX-DEOSSOPVSA-N 467.573 5.099 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)[nH]n1 1814828214 CUVNTSLWFCBLOT-OAQYLSRUSA-N 471.001 5.075 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)[nH]n1 1814828841 UYQXYZJGRIHSDN-WMZHIEFXSA-N 450.583 5.028 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)c(C)o1 1816417074 WLZAWGGVECAIIF-FQEVSTJZSA-N 485.466 5.130 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)C)on2)n[nH]1)c1ccccc1 1816597915 SSURTDKBWDNUHM-OFNKIYASSA-N 473.577 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)c(OC)c(C)c2)[nH]n1 1819309106 MPRRBVIBANBBMO-IRLDBZIGSA-N 450.583 5.109 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1 1819488217 TWSMIDOECMGCJF-CZTSOZTGSA-N 476.964 5.112 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)[nH]n1)c1ccccc1 1819521007 VPIVIQANBPQTTF-REWPJTCUSA-N 473.577 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)[nH]n1 1819554070 CQLBEPBOXKCEID-HSZRJFAPSA-N 461.610 5.508 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820223135 JDUFNCHWFBCZGR-AOMKIAJQSA-N 486.963 5.182 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)[nH]n2)cc1 1820549122 UFSYOMUQQBVTEQ-XMMPIXPASA-N 482.519 5.035 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCC3)n[nH]2)cc1C#N 1820903479 VWNVRVIWXCASJP-YYVWFHOOSA-N 475.593 5.121 30 20 JKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=N/N3CCCCC3)[nH]n2)cc1 1821225374 BWYVUUXXSSFAJJ-PLUOQXPISA-N 498.631 5.163 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[nH]n2)c1 1821324587 ANVDYJJQIONENQ-ZDXQCDESSA-N 487.991 5.353 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)c1 1821325792 CSORKLUUFPGREO-FQEVSTJZSA-N 483.906 5.141 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)c1 1821503407 DREKGIHKNQAKAZ-JOCHJYFZSA-N 499.596 5.140 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821543337 QYTXVNUBKYTNSJ-KKSFZXQISA-N 465.985 5.619 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)C4(C#N)CCC4)n[nH]3)ccc21 1823378681 MLMZWQIWWZIQNL-VWLOTQADSA-N 494.599 5.537 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3nc(-c4ccccc4)sc3C)CC2)C1 1823697665 UPMQHJFHBGFWLV-VWLOTQADSA-N 477.674 5.247 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)cc1 1823974536 CVLAVBUKFSQFTG-HHHXNRCGSA-N 493.598 5.022 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(Cl)cc1 1823978043 SWHDPQLLORPWJC-FQRUVTKNSA-N 478.036 5.443 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1824050447 WDPUCYXPBCFDMF-BCHFMIIMSA-N 494.035 5.257 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824268536 KDUNUWGOSIIKHQ-MHZLTWQESA-N 496.692 5.660 30 20 JKED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1824495060 UQWBLLRLXUQMPD-AMGIVPHBSA-N 499.655 5.086 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1824511313 ZCKZFAKZMALSJV-YLJYHZDGSA-N 475.054 5.379 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c(Cl)c1 1824642057 UWHITJJPRIUPLL-XOYNAWAESA-N 493.957 5.178 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccs2)CC1)c1ccc(O)cc1 1825315380 LWHMTKZBXFRISA-SHQCIBLASA-N 492.685 5.203 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)oc3C)CC2)c1 1825951381 MJQAJSSNXJOFRM-VWLOTQADSA-N 491.632 5.313 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)CC2)cc1 1826479759 WZZAANLVKOQYPY-XMMPIXPASA-N 483.534 5.053 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)cc1Cl 1826683024 GLKBVHGDSOZRFW-OAQYLSRUSA-N 492.447 5.318 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1)c1ccccc1 1827278173 AIBCFQSINZDLJT-AHKZPQOWSA-N 497.639 5.567 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)[nH]c2c(Cl)cccc12 1827518172 UECUMLSPEBPROU-NZQKXSOJSA-N 476.086 5.317 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)c1 1827734722 IFWMRABKCAFQHZ-HSZRJFAPSA-N 490.991 5.347 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1828396334 BISVHRUXYPQAND-PVHODMMVSA-N 490.047 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828827999 BFWHWTFXXMXCAE-OZXSUGGESA-N 463.622 5.178 30 20 JKED C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)Oc1ccccc1 1829693324 ZDVNOFYRNDKOLJ-CPJSRVTESA-N 494.035 5.303 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829907548 NYAVODOJYQPCRT-XNMGPUDCSA-N 490.644 5.285 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1830360074 DOQCXHXDZQWYOY-ROSOWXQZSA-N 467.629 5.076 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Br)c2F)CC1 1830502645 DNCCBBCESNZJSR-GOSISDBHSA-N 487.360 5.033 30 20 JKED COc1ccccc1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721137 YSPFRTQGQUGDRO-VWLOTQADSA-N 494.035 5.086 30 20 JKED CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCCC1 1830754617 DBHIOURVVQDSPF-JOCHJYFZSA-N 475.555 5.391 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830771186 TYISGYKHNVUBKX-XMMPIXPASA-N 483.534 5.433 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831060822 GWOLDTHIYJQWIL-LAUBAEHRSA-N 469.607 5.255 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831306270 UWTQWBVLJDMOBE-DCEDVJGZSA-N 475.073 5.290 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1831374580 QYLRHDPQYSAJBR-KKSFZXQISA-N 454.508 5.290 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4sccc4s3)CC2)CC1 1838310713 GNIDSCCCHNSWAV-FQEVSTJZSA-N 472.676 5.343 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(OCCCC(F)(F)F)cc2)C3)c1 1846830794 YLZASKLUYQRGNX-LJQANCHMSA-N 499.533 5.166 30 20 JKED COc1ccc(-n2c(SCC(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2)cc1Cl 9023580 DFIRALSYTIMBFZ-UHFFFAOYSA-N 482.009 5.031 30 20 JKED CCCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nc2cc(Cl)ccc2c1=O 9398904 YNUBOFHKUOBRFW-UHFFFAOYSA-N 475.401 5.152 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccncc1 10772374 DVVDTHAKOMRLJA-CYBMUJFWSA-N 458.469 5.448 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 12682281 AQASMYSHRAWIHW-UHFFFAOYSA-N 475.159 5.416 30 20 JKED C[C@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(=O)Nc1ccccc1C#N 20993032 ZVZCDJONOOTZKY-INIZCTEOSA-N 455.901 5.611 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c(Cl)c1 22732691 VIJFFDMKNWZBLI-UHFFFAOYSA-O 480.824 6.308 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 24919416 UPQRWTIPNKPQHV-UHFFFAOYSA-N 479.001 5.301 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)n1 26143642 BQCILKRWSYBPHF-INIZCTEOSA-N 455.505 5.991 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)c1 26756677 PMCMRDGALMNAFO-SFHVURJKSA-N 465.648 5.310 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccc(Cl)cc1 36858955 YKKICPDXMKJNKM-UHFFFAOYSA-N 463.390 5.486 30 20 JKED COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1 108595733 CVMNMVQGNFABHN-UHFFFAOYSA-N 499.976 5.084 30 20 JKED COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 303180171 SQXYVPSEEGTNLE-LJQANCHMSA-N 463.990 5.380 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1nncn1-c1cccc(Cl)c1 303182335 KWRDGXAOADPLSS-UHFFFAOYSA-N 489.988 5.411 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 303292934 MUGCWKZXUUEPBN-QGZVFWFLSA-N 463.632 5.329 30 20 JKED O=C(Nc1cc(F)c(F)cc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 409779643 MOFRQQGJLWWNAO-UHFFFAOYSA-N 488.697 5.628 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c1 479867221 VOLHCDFJAQKXQE-PMACEKPBSA-N 494.640 5.073 30 20 JKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1NC(=O)c1ccccc1F 487998796 XSIRJKJEHYVMJE-UHFFFAOYSA-N 495.529 6.240 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 490892478 ZSTRXFLDOCEXIP-UHFFFAOYSA-N 472.595 5.408 30 20 JKED C=CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nc(C(=O)OCC)cs1 501950182 GFQPUXVJLBIALJ-UHFFFAOYSA-N 487.921 5.507 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 507535770 RLENJJUWVVFBNQ-INIZCTEOSA-N 487.585 5.332 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1Cl 509646091 HTJMCWJZGSYJNX-QHCPKHFHSA-N 462.962 5.041 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)c2)cc1 509908626 DKWKTMDSUCSSDW-UHFFFAOYSA-N 464.569 6.224 30 20 JKED Cc1ccccc1C1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCOCC1 510577097 FMHWVCXSAQFYSL-UHFFFAOYSA-N 469.585 5.510 30 20 JKED C=CCOc1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)c1 510979617 DVYJIMNMVQPOGC-DEOSSOPVSA-N 450.560 5.510 30 20 JKED CC(C)c1ccc(Nc2nnc(SCC(=O)Nc3c(C#N)cnn3-c3ccccc3)s2)cc1 516176836 CCPJUYANOGMGQS-UHFFFAOYSA-N 475.603 5.193 30 20 JKED CN(CCCC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 517131804 RFLPXXFEABJZJN-UHFFFAOYSA-N 457.958 5.376 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccccc4)cc3OCC(C)C)n2)cc1 518095583 XVMMWJDWTSYHJT-NRFANRHFSA-N 472.570 5.529 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1 518137946 WZFFYWLTVBZYRE-IBGZPJMESA-N 479.627 5.324 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)cc1 518662511 HFHQWSGSBRUBGQ-YKSBVNFPSA-N 457.599 5.747 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 518754284 YIZJQENSVZABHV-QHCPKHFHSA-N 457.555 5.220 30 20 JKED O=C(Nc1nc(C(F)(F)F)cs1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 519395627 UGNAGWTWMDWMQR-UHFFFAOYSA-N 491.751 5.605 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 520179523 UKWZLVWITNVBDW-UHFFFAOYSA-N 467.013 5.964 30 20 JKED COc1cc(C#N)ccc1OCC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 520447013 WWVHWIBXJYPJST-UHFFFAOYSA-N 483.446 5.164 30 20 JKED COc1cccc(/C=C(\CC(=O)Nc2ccccc2SCCC#N)c2nc3ccccc3s2)c1 520804592 VHDIMDDZRAIECS-CAPFRKAQSA-N 485.634 6.880 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 521811121 UBMLXRBVUOSPTE-DJJJIMSYSA-N 468.381 6.132 30 20 JKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1cccs1 522449751 MMADEZUCYHKYDY-DEOSSOPVSA-N 477.586 5.653 30 20 JKED Cn1c([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccccc2F)nc2ccccc21 523251518 XWPYQZGFUKKTOR-QGZVFWFLSA-N 455.514 6.241 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 524145873 YQQGZYUEPRNAFP-UHFFFAOYSA-N 477.895 5.730 30 20 JKED CN(C(=O)c1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1)c1ccccc1 524381640 MUDAITOOFNBFON-UHFFFAOYSA-N 451.482 5.259 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1C 524711599 CJCXRWMLNNXDJL-UHFFFAOYSA-N 475.446 5.007 30 20 JKED N#C[C@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccc(OCc2ccccc2)cc1 552457331 NVTBGHGCOMYYEW-VWLOTQADSA-N 481.577 5.252 30 20 JKED CN(c1ccc(OC[C@H](C#N)CCC#N)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 562257677 LGMHPFVMDBRBHD-AWEZNQCLSA-N 471.888 5.006 30 20 JKED CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](c1cccc(F)c1)c1cnn(C)c1 587992313 RVMKPGAEUDLSBU-GOSISDBHSA-N 459.365 5.458 30 20 JKED Cc1nc(C)c(C#N)c(SCC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)n1 600822934 GTNSUKZOEYWGAW-UHFFFAOYSA-N 489.601 5.553 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)cn2)c1 603621916 CVRRBFIXCIIQKF-RUZDIDTESA-N 462.509 5.245 30 20 JKED C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)Nc1ccc(CC#N)cc1 603650740 KOUQOWVZKLDGFC-HTAPYJJXSA-N 454.961 6.628 30 20 JKED COc1ccc(C(=O)NCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 603758899 NSJDDXONIWSTQH-QHCPKHFHSA-N 461.949 5.153 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 603983610 HINFFXQMPJKSBL-UHFFFAOYSA-N 453.372 5.501 30 20 JKED COCCOc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604089558 DKNOCVHFUVWEGY-UHFFFAOYSA-N 451.910 5.351 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2cccs2)cc1 604137892 ASVAKTZVDBKOKQ-AREMUKBSSA-N 496.592 5.775 30 20 JKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604522859 KQTTWHKDBCTLEI-NHCUHLMSSA-N 479.631 5.334 30 20 JKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604522860 KQTTWHKDBCTLEI-RTWAWAEBSA-N 479.631 5.334 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3oc4ccccc4c3CSc3ncccn3)cn2)c1 604528446 MBKWRWPTMCYJSO-UHFFFAOYSA-N 479.521 5.826 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 609066821 JQLAAMZVFFSZOV-HXUWFJFHSA-N 462.571 5.465 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 609079024 XIZXJJFUOMTFIN-JOCHJYFZSA-N 474.992 5.747 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(NCCc3ccccc3)cc2)CC1 609158654 XYRVBHKLSRBNOQ-UHFFFAOYSA-N 481.556 5.316 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)c2)cc1 609176600 OVTSBLSCBOFZRP-HXUWFJFHSA-N 459.933 5.495 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)cc1 609177474 XFGPCPPLLAXNBP-UHFFFAOYSA-N 479.496 5.325 30 20 JKED Cc1c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cccc1C(=O)Nc1ccccc1 609208456 XQXDDSQRQKVQAN-UHFFFAOYSA-N 454.530 5.194 30 20 JKED COCCOc1ccc([C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 609208994 NDLFNYGWWMBWBN-GOSISDBHSA-N 461.518 5.267 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 609434872 WDXWQFJZVCFNNC-CQSZACIVSA-N 469.408 5.915 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616089579 BRQOXLPRNODSOS-CHWSQXEVSA-N 450.345 5.756 30 20 JKED Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)CC2 622485822 ZMFULLGWXHXETF-IAQYHMDHSA-N 485.350 5.347 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccs2)cc1F 726413260 WWFZVWCZTFIACN-JOCHJYFZSA-N 497.617 5.673 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726420915 JXGPHNHQQQUNFO-WSJNKUPNSA-N 483.615 5.330 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cc1 726942004 NVTWLJXWJKUNQI-UHFFFAOYSA-N 498.402 5.119 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2ccc(OC(C)C)cc2)cs1 727258180 XPJPUTRLCIUSMQ-UHFFFAOYSA-N 488.038 5.589 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(Br)cc2F)cs1 728433203 XMHLMQIMGBUSCJ-UHFFFAOYSA-N 467.751 5.829 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2c(Cl)ccc(C)c2Cl)[n+]2ccccc2)N=C1C 728558780 RDBDCETUSNGRQI-UHFFFAOYSA-O 475.421 5.907 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)cc1 728779746 KKLSKTRGMQMSBH-DEOSSOPVSA-N 486.597 5.503 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730584890 GRVSZNLEVARTDD-UHFFFAOYSA-N 491.379 5.276 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1 730942397 OQIIIONJTJYYLT-AVRDEDQJSA-N 476.577 5.559 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730944583 YKBXKTDJPITXEE-OFVILXPXSA-N 486.641 6.037 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cc3ccccc3[nH]2)C1=O)NCc1ccccc1 746695277 DGVYMFMTETZXKH-DEOSSOPVSA-N 486.572 5.145 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2nccs2)c1 747601380 FPLODUUCNVXYSN-NRFANRHFSA-N 478.643 5.217 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 750692353 BIALAOVPQGUTHM-IFMALSPDSA-N 492.620 5.489 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n(C2CCCCC2)c1C 761182981 XNQFCEUTGVXOPH-QGZVFWFLSA-N 484.578 5.053 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c(C)c1 799215356 KVEAXNQRCZIPHT-KRWDZBQOSA-N 471.451 5.104 30 20 JKED COc1ccc(-c2nc(S[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)nc(O)c2C#N)cc1 824935175 BAYKFFRVSAJHPD-XMMPIXPASA-N 482.565 5.510 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)CCc3ccco3)C2=O)cc1 837520486 HUACHGHTASWZKB-UUOWRZLLSA-N 489.597 5.464 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837835513 SKXCSGIBNKOLKC-KOSHJBKYSA-N 486.597 5.314 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837839280 UGHAHMZAOWUKMM-JTSKRJEESA-N 489.557 5.020 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837915452 UCGLJAJSQRSFJV-WZONZLPQSA-N 458.587 5.366 30 20 JKED N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)cc1 904669274 UJOSAVLVYAYRIB-KRWDZBQOSA-N 495.848 6.318 30 20 JKED CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1 904691353 IKQDPAHYSXWIQZ-LJQANCHMSA-N 464.547 5.068 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1C 914540458 YTNPYHGTLJPIJJ-YKSBVNFPSA-N 472.614 5.098 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccc(F)c3)C2=O)cc1 914772961 RVJCIQMXFCFFFJ-QHCPKHFHSA-N 493.535 5.328 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c(OC)c1 915352716 JSMSXBYKGMVHMH-VWLOTQADSA-N 485.584 5.779 30 20 JKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)N1CCC[C@H]1c1cccs1 915511925 JVPRASVMIWXFQK-MBSDFSHPSA-N 460.555 5.108 30 20 JKED CCOC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)cc1NC(=S)Nc1ccccc1C#N 915998677 GHGRNYHHQHNPNR-UHFFFAOYSA-N 497.598 5.298 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(C[C@@H]2CCCO2)C1=O 916205005 LSQNHVLVBVETMG-RDPSFJRHSA-N 495.645 5.232 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@@H]2CCCO2)c(C)c1 916206921 AXUSVMQGWQPGOF-REWPJTCUSA-N 465.619 5.060 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(Cl)c1 916213028 WSDFFTZKRGKAHN-HXUWFJFHSA-N 459.999 5.035 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(SC(F)F)cc1 916214120 JEONPDJHVQJLNE-SFHVURJKSA-N 477.558 5.156 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1 916214822 PHRXVWVMYQLVDW-IBGZPJMESA-N 487.553 5.755 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3ccccn3)C2=O)c1 916217529 OXQQSQIEYHFOJX-AREMUKBSSA-N 494.620 6.012 30 20 JKED N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1Oc1ccccc1 916905398 KKORCISQUWJMEZ-QFIPXVFZSA-N 465.509 5.804 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916918578 QSMWEKKIKPCGHB-NRFANRHFSA-N 484.968 6.163 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916919251 USRNSIWVWZFWQX-INIZCTEOSA-N 462.303 5.053 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1OC 916935396 PWUNHBKDMDMNGA-SFHVURJKSA-N 494.960 5.027 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)cc1Cl 916937026 CSJJGBKPCNMWAQ-PDFOZTTASA-N 454.910 5.577 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916943786 YPZDRYAESBORMC-FMYZQTRCSA-N 498.379 5.262 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(C(C)C)cc2)n1 917666394 ZQBKUQKHYXJLQZ-HSZRJFAPSA-N 491.592 5.208 30 20 JKED N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2I)sc2c1CCCCCC2 917782906 IDHMQVSZYDGGDA-UHFFFAOYSA-N 481.315 5.044 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 918290415 WCWKMSBCKCBPBE-LJAQVGFWSA-N 473.576 5.552 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)CNc2ccc(C#N)cc2)cs1 919624597 UHQDPTJEJMOFRW-UHFFFAOYSA-N 475.357 5.161 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2csc(-c3cc(Br)cs3)n2)CC1 919632907 ZHLUNNVSYHUEJP-BTTAGBNVSA-N 496.452 5.110 30 20 JKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1ccccc1OCC#N 919811136 KXKUBBPXZADXKH-UHFFFAOYSA-N 470.960 5.426 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc2cc(C(F)(F)F)ccc2s1 920112898 MIFOIWRICJJGGA-LLVKDONJSA-N 483.949 6.572 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1 920204034 IHZUKHYFVKXHPO-MUUNZHRXSA-N 459.549 5.625 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)c(Cl)c2)no1 920351607 CNIXFLWPUIXLPM-IBGZPJMESA-N 489.384 5.450 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1c(C)noc1C 920355041 HIFHHQGSJFNYLC-XMMPIXPASA-N 490.629 5.631 30 20 JKED CCOc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)cc1 920359023 GAOTWNWGEFHJRT-XMMPIXPASA-N 484.581 5.117 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCc2ccc(Cl)cc2Cl)cs1 920372433 LFROZSBSKMXWEU-UHFFFAOYSA-N 487.334 6.277 30 20 JKED CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccccc1S(=O)(=O)NC(C)(C)C 920376342 GHGBPAATMOMYFQ-UHFFFAOYSA-N 474.030 5.172 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 920867191 CGXAFDHMXJSTSS-IERDGZPVSA-N 474.026 5.200 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(C)C)c1 920871463 TUPMDILWNYAWPH-WZONZLPQSA-N 483.634 5.061 30 20 JKED N#Cc1ccc(CN(CCOc2ccc(C(F)(F)F)cc2)c2ccc3nc(O)[nH]c3c2)cc1 1653643403 RSHVUUJNLCEHAR-UHFFFAOYSA-N 452.436 5.245 30 20 JKED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccccc1Oc1cccc3ccccc13)CCO2 1784201844 MSFMIPBCNPZERJ-HKBQPEDESA-N 496.607 5.269 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)s1 1785796103 QNALWRLFRJYBNW-UHFFFAOYSA-N 458.587 5.012 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](NC(=O)OCc4ccccc4)C(C)C)CCC3)cc2)C1 1785810272 JYTJLBISJQGGJV-RUZDIDTESA-N 489.616 5.038 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCCC(=O)OC(C)(C)C)cc3)CCC2)c1 1786163977 MPCGHAXZMIMRDA-UHFFFAOYSA-N 475.589 5.126 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)F)c4)cc3)CCC2)c1 1787014620 SFZWMBMBQRONNX-UHFFFAOYSA-N 474.511 5.271 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ncc(C)s3)cc2)CCC1)NC(=O)OC(C)(C)C 1787216299 HEMCESXVBGNYLF-FQEVSTJZSA-N 498.649 5.059 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)CCC2)cc1 1787885087 OTCSJRVNTFXHAO-UHFFFAOYSA-N 478.474 5.217 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)c1 1789015292 MVBVXNQEHOXDOC-UHFFFAOYSA-N 464.500 5.307 30 20 JKED C[C@H](Sc1cccs1)C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789577740 CDSKBYBHFAEABQ-STPJHCLOSA-N 467.616 5.075 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CCC2)cc1 1790564260 UTZQJXANLJBQES-CZAAIQMYSA-N 469.532 5.003 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)cc2)CCC1 1790843911 KCRKOLOIOLYZHU-UHFFFAOYSA-N 482.506 5.294 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1791560692 CJOXFKSWAZJMDO-REWPJTCUSA-N 481.637 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nccn45)CCC3)cc2)c1 1792127373 XCTYCYGVRCLKLA-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)c(-c3c(F)cccc3F)n1)C2 1793051161 PXHNTRATVYDCNK-REPLKXPHSA-N 483.534 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2occc2n1-c1ccccc1 1799111360 JXGJAMUITAEFBY-QQFNCUIESA-N 459.590 5.468 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)[C@@H]2c2cccnc2)C1 1802414139 XLERBLSLTLBGSW-AJTFRIOCSA-N 487.550 5.313 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cc4cccc(F)c4)cc3)[C@@H]2c2cccnc2)C1 1802418322 RHOWCENMBCFJQU-LEAFIULHSA-N 483.587 5.097 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1804213473 OVWIJOCNWYHAOZ-NVQXNPDNSA-N 498.067 5.592 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1805683151 VWZUCABTFSJVFB-XUZZJYLKSA-N 465.638 5.593 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1810273894 ZWETVHZAGLDZEN-WNJJXGMVSA-N 489.736 5.080 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H]1c1cccnc1 1811579446 VJKMLENEDCBTNL-PPNCUWOSSA-N 493.611 5.157 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CCCCC3)[C@H]2c2cccnc2)C1 1812522880 VMVSOXWYGWMGGO-ATIYNZHBSA-N 492.063 5.609 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@@H]1c1cccnc1 1812591487 HLPIGOJRINSYOV-CMPZQBNXSA-N 497.920 5.425 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@H]1c1cccnc1 1812955819 DVKWDFZUDPBAIY-NBGIEHNGSA-N 498.454 5.320 30 20 JKED Cc1ccc(SCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813866344 PYQBJENVEALFBJ-MCPPRULHSA-N 498.652 5.129 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813956682 RRFYGSVWQHVIBJ-MPFGFTFXSA-N 479.624 5.837 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1814569434 KDZMAQUAHCXEAN-HNNXBMFYSA-N 455.971 5.133 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c1 1814622673 YMFJBVMHOOLUMT-NRFANRHFSA-N 465.916 5.002 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)cc12 1814738810 OXMWUDPXAOWGQA-RUZDIDTESA-N 480.572 5.010 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)[nH]n1 1814828992 MAKNCHURTZWRKI-QGZVFWFLSA-N 462.381 5.186 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)[nH]n1 1814829123 LLMYACRURHLKSC-VWLOTQADSA-N 499.615 5.555 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)[nH]n1 1815216646 KQFFLFVRTZZLQH-DVECYGJZSA-N 490.604 5.004 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1815218654 PLUWQAUGMMLYRD-JTSKRJEESA-N 487.560 5.048 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815242795 DOKFLKFFVHQSQK-AVRDEDQJSA-N 487.025 5.583 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)[nH]n1 1815571968 CCAFGFJXBFTCKR-MRXNPFEDSA-N 494.411 5.606 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(OCC(F)(F)F)n2)n[nH]1 1816131066 VUSPOTPGEXUWDY-GOSISDBHSA-N 493.530 5.044 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1816461442 MEHUAVHFJYTSMG-VYENPZKTSA-N 494.617 5.415 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)n[nH]2)C1 1818433618 IGPGVXVTOILZDA-JOCHJYFZSA-N 491.979 5.523 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)c1 1818595496 FVCUXROXDXXQST-HXUWFJFHSA-N 491.523 5.394 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)[nH]n1 1819311261 SLSRUYWLXZLUMN-BEFAXECRSA-N 462.928 5.416 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)[nH]n1 1819555759 ZUFMFLNXPQGTSB-DEOSSOPVSA-N 471.605 5.770 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 1820503230 PNKAYMIEXKCAMK-NRFANRHFSA-N 482.371 5.137 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277030 BUKFJYLIJHIIKG-QFIPXVFZSA-N 491.979 5.180 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1821924645 FZAYIEXFCFNOTP-FZKQIMNGSA-N 479.806 5.344 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)[nH]n1 1821926704 VFRIWYJIGRJPKI-GSEYHLEDSA-N 471.399 5.090 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc(F)cc(OC)c2)n[nH]1 1822270721 ZEIVERPRLSKVTR-MOYZMFQZSA-N 466.557 5.031 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1822393313 RTOVEHOWDYOKSS-HSZRJFAPSA-N 456.546 5.311 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)CC1 1823672889 NMSQCKOLBUPBLS-HXUWFJFHSA-N 466.453 5.614 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)CC1)c1cccs1 1823898702 RJXQGQIGXIGYCA-MHNQQFQPSA-N 489.012 5.213 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1824502225 BBVWPTMJWDVZJV-QHCPKHFHSA-N 495.035 5.094 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3cccc4ccccc34)CC2)c1 1824952523 DSDSRDICNAYZCI-HHHXNRCGSA-N 481.596 5.024 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)cn1 1825817415 QJEBUZRUOQWTIV-SSEXGKCCSA-N 491.635 5.337 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccccc2C#N)CC1 1825952076 FJRHRHKLUXKSKX-XMMPIXPASA-N 491.632 5.070 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1826191864 JCXPZVWTHUEFFU-QHCPKHFHSA-N 488.148 5.328 30 20 JKED CC(C)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CCC1 1827329552 YTBIJQJJKRGLMX-NRFANRHFSA-N 490.570 5.032 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccco4)no3)CC2)c1Cl 1827416224 HCCJOTPCTRELHO-NRFANRHFSA-N 492.963 5.007 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1)c1cccs1 1827682756 JXRZNNUASJHOSR-OEAKIKGJSA-N 493.654 5.030 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1828339980 VKNGITYRCBUUMC-SANMLTNESA-N 490.047 5.371 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828508411 YMLMHCYCGOARLP-AOMKIAJQSA-N 489.479 5.154 30 20 JKED Cn1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc2ccccc21 1828905247 MHBVFXHFNTUAHZ-AREMUKBSSA-N 491.752 5.463 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1829521006 PEPZLGRSZKKDEX-MUUNZHRXSA-N 496.586 5.306 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C)CC1 1829943836 DCAQRRGHYNNZSC-DQEYMECFSA-N 497.680 5.088 30 20 JKED Cc1snc2sc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)cc12 1829952813 ZEQXCBVIYSHIKP-OAQYLSRUSA-N 478.643 5.085 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 1830545946 WHGHYPAUUXHFFA-IBGZPJMESA-N 487.360 5.277 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)ccc2n1 1830718921 OWNAKGPOYYBPKK-HHHXNRCGSA-N 484.575 5.101 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831369933 IQLHPXAZDMQRAC-XXBNENTESA-N 469.025 6.046 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1831841480 ADMABDNSELMEQA-NFQMXDRXSA-N 487.669 5.453 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831842594 PIDPWYYYHWUTGW-HRAATJIYSA-N 467.660 5.001 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832031650 SNANTOMIUJLJRF-JOCHJYFZSA-N 466.519 5.271 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)CC1 1836697868 LFVJVUSSJZNNAF-UHFFFAOYSA-N 466.666 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)CC1 1838373889 ROHSPCPQSUKKEP-AREMUKBSSA-N 487.644 5.129 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)CC1)c1ccccc1 1838416775 MUVHETGGTPOPEH-SSEXGKCCSA-N 498.667 5.373 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccccc2Oc2ccccc2)C3)c1 1846829031 YJUMIGXFPJYBOM-NRFANRHFSA-N 465.553 5.237 30 20 JKED CCc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2Cc2ccccc2)cc1 8621030 AKYFCVPXVIGEQF-FQEVSTJZSA-N 497.624 5.459 30 20 JKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cs1 9072671 XZMRLVOSYLDHCA-UHFFFAOYSA-N 499.617 6.349 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)cc1 11443860 RQQZKKKMCHFPJU-UHFFFAOYSA-N 460.914 5.196 30 20 JKED CCOc1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(OCC)cc1NC(=O)c1ccccc1 14717183 LHVAMLZTDIWNCI-SFHVURJKSA-N 473.529 5.014 30 20 JKED COc1ccc(/C=C2\N=C(SC[C@@H](C#N)CCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 15241222 SCKDUDUFLSDGAH-OJSPLJLUSA-N 482.512 5.217 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(C)c2)cc1 15248190 PJAZTNNSSCPTHR-UHFFFAOYSA-O 461.485 5.241 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2OC)nc2scc(-c3ccccc3)c2c1=O 18773955 CDUWWKPGVVBVGH-UHFFFAOYSA-N 491.638 5.070 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OCC)c(OC)c2)nnc1-c1ccc(Cl)cc1Cl 18833105 IYOCIHDWBOOLLP-UHFFFAOYSA-N 493.416 5.576 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 22157711 ODFPTXJBDUJPIK-UHFFFAOYSA-N 472.522 5.423 30 20 JKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 22729715 OFXMHKDMDKNDKS-UHFFFAOYSA-O 482.673 6.188 30 20 JKED O=C(/C(=C(/S)NCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1cc(F)ccc1F 22730714 CYLKXWAEHRPUSW-UHFFFAOYSA-O 473.568 5.572 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nc2sc3c(c2c1=O)CCC3 23405469 NKTJOGPIYMRVOF-GOEBONIOSA-N 471.673 5.039 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1C#N 26983750 XBKVYCFPQOOLKB-SNVBAGLBSA-N 450.347 5.043 30 20 JKED Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(NC(=O)CC#N)cc2)c2ccccc2)cc1Cl 28464858 QIEPFYQKIJRXTJ-HSZRJFAPSA-N 461.905 5.037 30 20 JKED C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 28492333 SCPRMAMYEJFIDZ-UHFFFAOYSA-N 481.017 5.550 30 20 JKED N#CCSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 29487360 GTSLGCCPPVTGBQ-UHFFFAOYSA-N 457.964 5.009 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1OC 45839686 MBMQVDNSYLZJFY-INIZCTEOSA-N 456.999 5.529 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 46667800 YZBUXWVSQJAVFQ-UHFFFAOYSA-N 454.534 5.755 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1OC 229928343 DMXIHHAGHLIKCB-XNTDXEJSSA-N 456.976 6.023 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)cc2)cc1 303042630 QEWXCZRLRVVXLI-FQEVSTJZSA-N 476.330 5.105 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)cc2F)c1 481621698 HTPAJDNFQAZCMR-UHFFFAOYSA-N 486.547 5.224 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCN(C(=O)Nc4ccc(Cl)cc4)CC3)c2)cc1 486737922 BCYIDAPJDZTVOW-UHFFFAOYSA-N 474.948 5.384 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)cc1OC 488694398 JCZFBXRLZUSATL-UHFFFAOYSA-N 456.970 5.570 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 497829096 RPHNIEZJWGFVGD-KDURUIRLSA-N 450.539 5.036 30 20 JKED C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500660835 CBHZLTSFTRSZHW-INIZCTEOSA-N 478.478 5.058 30 20 JKED N#C[C@@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1 502761835 WZIFZGZMLSPEQX-KRWDZBQOSA-N 472.879 6.158 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)n2)cc1 502762701 KCWPHHDOOHOFDC-SFHVURJKSA-N 468.460 5.513 30 20 JKED N#Cc1ccc(SCC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 504761027 XXMIPUMENUFMGW-UHFFFAOYSA-N 455.461 5.560 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 511423294 WAKDVJBQRFKQIL-ZRZAMGCNSA-N 498.627 5.263 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c2cnn(C(C)C)c2n1 513654411 LIVUHORDIUMIGO-IBGZPJMESA-N 451.555 6.087 30 20 JKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3n2C)c1 513676195 APJOUGYOPHVVQW-QFIPXVFZSA-N 461.525 5.233 30 20 JKED C=CCN(C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 514773583 VZFWRPGKZCIITH-UHFFFAOYSA-N 498.633 6.740 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)nnc1-c1ccncc1 515307512 NBQVPTOEXATSDO-UHFFFAOYSA-N 476.631 5.306 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c1 515368176 JWAZPACJEAZZBP-SFHVURJKSA-N 485.005 5.221 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 516139798 AKYUJKWLJKGCEP-UHFFFAOYSA-N 462.509 5.231 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1 516270031 KVIIVIIROLEBKO-JOCHJYFZSA-N 466.497 5.563 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3c(OC)ccc(Br)c3[nH]2)cc1 516619275 XDCKDZHRRODYBQ-UHFFFAOYSA-N 468.351 5.006 30 20 JKED CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)Nc1ccccc1 517149657 ZCUCJCMTVYJBTN-NOZRDPDXSA-N 474.992 5.187 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1c1cccs1 518674594 AUZFVFVZYDLQJL-HNNXBMFYSA-N 453.511 5.075 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)n2)cc1 520075654 QTRTYLLASPYIEM-INIZCTEOSA-N 481.389 6.602 30 20 JKED C=CCn1c(SCC(=O)NCc2nc3cc(Cl)ccc3s2)nnc1-c1ccc(Cl)cc1 520411379 MIXUFJANGAYUOW-UHFFFAOYSA-N 490.441 5.456 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)cs1 520427641 SOHVQNFERBFFBO-QGZVFWFLSA-N 467.522 5.922 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 521117949 OPEZKGQFCDFQIN-XMMPIXPASA-N 468.944 5.020 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1c(C)nn(-c2ccccc2)c1C 524439088 GKEVVQIRDUSUII-UHFFFAOYSA-N 465.557 5.570 30 20 JKED CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1SC[C@H](C)C#N 553319631 UTFIGGHUKVPHCM-HKLCMNTNSA-N 453.652 5.234 30 20 JKED N#Cc1cccc(OCc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H]3CN(Cc5ccccc5)C[C@H]43)c2)c1 594660146 JGKXMYQLOCBDNA-KLFPRNLRSA-N 477.608 5.120 30 20 JKED COc1ccccc1CN(Cc1cccs1)C(=O)CSc1nc(C)c(C)c(C)c1C#N 603577731 SFNOFOSQXIPZHF-UHFFFAOYSA-N 451.617 5.270 30 20 JKED N#Cc1c(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)sc2c1CCCCCC2 603996166 CXBFIOJQWAPYEH-UHFFFAOYSA-N 464.612 5.505 30 20 JKED CN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604157329 LTYPMHDRYNQBHP-UHFFFAOYSA-N 454.313 5.254 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604507225 CPOFOMOUIBFGDF-IBGZPJMESA-N 482.565 5.536 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)cc1 608945772 ZWIKXFUTYWXJCC-OAQYLSRUSA-N 464.509 5.150 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 608952699 GHCVYIHUCJFBKT-UHFFFAOYSA-N 487.991 5.483 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 608964148 KGUYBQGMMROCBC-UHFFFAOYSA-N 469.654 5.835 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Br)c1 609069390 JDSIDGPOLWTZLU-UHFFFAOYSA-N 457.349 5.009 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)cs1 613319457 DVKKBQWTIWVCDC-FQEVSTJZSA-N 482.055 7.011 30 20 JKED O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618538349 JIOJPUFWRMZCRA-RYUDHWBXSA-N 491.379 6.424 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 622936232 HEINOLHMDCSDDG-QGZVFWFLSA-N 488.082 5.278 30 20 JKED O=C(C[C@H]1S/C(=N\CCc2ccccn2)N(C2CCCC2)C1=O)Nc1ccc2ccccc2c1 726115569 QYECCJNYJIVDOT-MLNTVTBVSA-N 472.614 5.049 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1oc2ccccc2c1CSc1ncccn1 726319260 DHJAZLYESIYJKG-OAHLLOKOSA-N 462.918 5.130 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 726393174 MZCSGGVYUISZSY-MBSDFSHPSA-N 461.587 5.225 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc(F)c(Cl)c2)cc1 726412313 QKGQBXLCSYNDDM-OAQYLSRUSA-N 490.000 5.067 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1Cc1cccs1)c1cccs1 726415173 FLAFCCHZZMJTEH-VJKFQSQNSA-N 499.639 5.098 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1Cc1ccsc1)c1cccs1 726415687 KEGVBGUXRZBBKE-DBWWPXIRSA-N 499.639 5.098 30 20 JKED CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(S(=O)(=O)C(F)F)cc1 726424868 NHHMJZMTWSYMAJ-UHFFFAOYSA-N 452.914 5.091 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)cc1NC(C)=O 726429384 SZOPTPLICNITTK-FVXMCEBTSA-N 461.358 5.422 30 20 JKED COc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc3c(c2)CCCC3)cc1Cl 726570123 SORVBXFSEVVUIH-UHFFFAOYSA-O 495.024 5.021 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cc1Cl 726889296 FDEHDTSFBPQUOJ-RBZFPXEDSA-N 492.066 5.388 30 20 JKED COc1ccc2c(C)c(CCC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c(=O)oc2c1 727751810 UZBVGIUYNZLPJD-SANMLTNESA-N 482.536 5.003 30 20 JKED C#CC[C@H](OC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1)c1ccccn1 727776270 XBOVOLODPBRSNP-SFHVURJKSA-N 472.360 5.415 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 728182165 ZBXLCGUZNCDWCA-UHFFFAOYSA-N 471.626 5.227 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)cc1 728777770 OEMGUYMOYVOPCE-NRFANRHFSA-N 484.025 5.060 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728778622 TWEILWMPLLPSHR-QFIPXVFZSA-N 483.037 5.919 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc2)cc1 729891336 DUQCTUZCGDQWFS-RTWAWAEBSA-N 473.985 5.996 30 20 JKED O=C1/C(=C\c2cnc(N3CCCC3)nc2)CCc2nc(-c3ccccc3Br)sc21 730435558 CPUMPRRFAIUUNR-PTNGSMBKSA-N 467.392 5.175 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(F)c1 730536100 OSBIUUCWRXJXMC-QGZVFWFLSA-N 484.380 5.048 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 730609820 RVGADUUTMPIQOB-INIZCTEOSA-N 489.519 5.435 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 730713878 BQCULQSKDDKZQF-FXAWDEMLSA-N 479.631 5.185 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944112 QYOVGWYTDHHSLK-GAJHUEQPSA-N 476.577 5.505 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc2c1ccc1ccccc12 731060285 FRTXIUHGCGFCRM-INIZCTEOSA-N 458.539 5.942 30 20 JKED Cc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c3c2CCCC3)cc1 731086314 UAAVJWFRWVAYQM-LJQANCHMSA-N 488.613 5.107 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)n(Cc2ccco2)c1C 731279541 ZHWJKAIEEFSDFU-RPWUZVMVSA-N 467.525 5.057 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731306183 STNGJUDHJHQSHT-BTYIYWSLSA-N 480.977 5.162 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(C)Cc2c(Cl)cccc2Cl)c1=S 746029786 ZDZYUEJAPHRHJW-UHFFFAOYSA-N 454.471 5.025 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 746697391 DFNQQJVOPLRODL-FQEVSTJZSA-N 459.999 5.117 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCOC1CCCC1 747042716 HWJPOBUCCRJSTM-HSZRJFAPSA-N 483.609 5.444 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)N(CCC#N)c1ccccc1 747257447 CQIUKLVABDMIIN-HNNXBMFYSA-N 488.396 5.538 30 20 JKED COc1ccc(/C=C2/SC(=NN=C(C)c3cccc4ccccc34)NC2=O)cc1OCCCC#N 747445921 QKXQSENNXDHQQB-HYMXWBNZSA-N 484.581 5.515 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1 750394372 GGZYLWNVMQJNGJ-NQIIRXRSSA-N 487.654 6.317 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CC=C(c3ccc(F)cc3)CC2)c1=S 798190086 AVBPFJDSNJPGAA-UHFFFAOYSA-N 454.546 5.204 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 799215328 KGPSYQHPTJPKQA-SFHVURJKSA-N 494.495 5.043 30 20 JKED C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc1OC 810238481 QISQWLLNQVIPNU-WDZFZDKYSA-N 456.336 5.045 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)nc(O)c2C#N)cc1 824963334 AETIVPTZIBJUQN-GMPVXANTSA-N 486.597 5.091 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1CC(C)C 838507896 OOBVNVMDIUQOBA-LJQANCHMSA-N 490.423 5.074 30 20 JKED N#Cc1cc(Br)ccc1N1CC(c2nc(-c3cccnc3Oc3ccccc3)no2)C1 904454341 NTIRYBSINKLDEJ-UHFFFAOYSA-N 474.318 5.162 30 20 JKED C=CCOc1ccc(/C=C\c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)cc1OC 904482081 XSGSTBXOSAWGNR-LCYFTJDESA-N 451.486 5.214 30 20 JKED N#Cc1ccc(N2CC[C@@H](c3nc(-c4cc(Br)cc(Br)c4)no3)C2)c(F)c1 904915672 OPTFMLYITOUGFJ-GFCCVEGCSA-N 492.146 5.266 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)Cc3cccs3)C2=O)cc1 914694384 IWSAVWDRGNPOPU-HXOBKFHXSA-N 491.638 5.542 30 20 JKED COc1ccc(C(C)=NNc2ncc(C(F)(F)F)cc2Cl)cc1CSc1ncccn1 916587971 BPABQTGIDHRNHN-UHFFFAOYSA-N 467.904 5.681 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 916936385 JCCVQTAJFHEKIQ-GOSISDBHSA-N 487.314 5.681 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976101 JEUNLYXOEZEVMM-XHDPSFHLSA-N 478.788 5.765 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3ccc(Br)cc3C2=O)cs1 917559859 CYNLXYQSMRFVQM-MDWZMJQESA-N 489.778 5.902 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1[C@@H](C)c1ccccn1 917661383 CQAMAOOSNVCHHQ-CYFREDJKSA-N 487.629 5.178 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1 919868019 JOVKJOUBMSKDRK-UHFFFAOYSA-N 468.644 5.387 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 920111298 LKAPQZCURYJBKY-KBMIEXCESA-N 493.563 6.089 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)n2)cc1 920143089 DVLLJVNGLMGFOA-IAGOWNOFSA-N 486.380 5.355 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c1 920354927 IOEPAAMLGGNSBO-QHCPKHFHSA-N 476.602 5.377 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cs1 920355505 CMUNPEVIEUEQMN-UHFFFAOYSA-N 494.411 5.109 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c1 920358134 YPVOOXAPNXWWIP-JOCHJYFZSA-N 462.575 5.014 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)N[C@@H]2CCCC[C@@H]2C)cs1 920364946 KWNHNJZHPBNMHV-SCLBCKFNSA-N 483.585 5.223 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)n1 920766723 UGRUALAYCMGDIY-QUYTYNJFSA-N 479.561 5.520 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)Cc3cnc4ccccn34)cc2)CCC1)c1ccccc1 1786108338 BSZOAYMIYUXQSQ-MHZLTWQESA-N 490.607 5.208 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CCCc4ccncc4)cc3)CCC2)cc1 1786904729 QJGSBHJLXYTDCE-UHFFFAOYSA-N 466.585 5.043 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649327 IUCRXANSBFFWIN-ACCUITESSA-N 475.614 5.199 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cncc(C(F)(F)F)c3)CCC2)cc1 1788650490 DJQNHGBXLNUHBL-CMDGGOBGSA-N 499.514 5.349 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncccc5c4)cc3)CCC2)c1 1788908220 OWQSVFILIKUFMG-UHFFFAOYSA-N 464.500 5.307 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)cc2)CCC1 1788986326 WFEWUCCVXLPHMF-OAQYLSRUSA-N 457.546 5.148 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)CC1 1789199504 UTSMEDPVULQORU-FQEVSTJZSA-N 496.652 5.098 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)c5n[nH]c6ccc(C#N)cc56)CCC4)cc3)cc12 1789274839 YHDGVKKXYKCFFU-UHFFFAOYSA-N 488.551 5.286 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3=Cc4ccccc4NC(=O)C3)CCC2)cc1 1789626466 PUSYPIRIJATSQC-UHFFFAOYSA-N 471.601 5.539 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789628228 QKCIIOWURBNKAL-UHFFFAOYSA-N 483.653 5.370 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)n[nH]1 1790130225 ZYNPGAJSNUTHNU-UHFFFAOYSA-N 461.953 5.120 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)ccc1F 1790520871 ONYCCZVHUPNZTA-UHFFFAOYSA-N 485.437 5.300 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4OCCc5ccccc54)CCC3)cc2)c1 1790761798 BTILAZRTWGKCEY-AREMUKBSSA-N 483.543 5.149 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)sc1C 1790767762 LEZRUNIKUSRRJJ-UHFFFAOYSA-N 464.978 5.347 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccc(F)cn34)cc2)CCC1 1790882080 LTGLAYDJVOBSRR-JOCHJYFZSA-N 460.553 5.298 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](C)CC=C)cc2)CCC1)NC(=O)OC(C)(C)C 1791252042 GSPRHZXQLSJESA-DENIHFKCSA-N 469.626 5.192 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791445711 WVJMULYPIVVAHR-IXQRDTAUSA-N 493.648 5.288 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@@H](C)n3ccnc3C)cc2)CCC1)c1ccccc1 1791933330 VPVMXZOFBYSYCM-RLWLMLJZSA-N 468.601 5.084 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cncn5c4)CCC3)cc2)c1 1792124869 NCEMTVSWZNNPPD-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C)CCC(NC(=O)OC(C)(C)C)CC1)C2 1798594960 WUJRYAFUCBKXJQ-WXFFZTEDSA-N 489.701 5.091 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(OC)ccc1NC(=O)OC(C)(C)C 1800508376 BUIYGCABPJNFJM-ACDBMABISA-N 499.652 5.286 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(Cl)cc2Cl)c1 1801555025 VHUSQUCZRZIMSJ-KOUNCHBCSA-N 470.400 5.058 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)c(Cl)c2)CC1 1802140243 BISSXNFOKSDZSD-YRPNKDGESA-N 461.433 5.432 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c1 1802713167 AXXMHMKUFQGKNM-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1 1805935236 ZFEGFQJCVIQWHL-QFIPXVFZSA-N 484.628 5.214 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1806681819 KSGYBQKNHPQNCZ-BVAGGSTKSA-N 466.025 5.142 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1810503449 QCLSHLSCANXACD-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(O)c3cc2OC)[C@@H]1c1cccnc1 1812193549 YLIRTJOSERKINK-FIPFOOKPSA-N 499.611 5.037 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1)C(F)(F)F 1812683690 RMOPKLNLTKBTLF-BEFAXECRSA-N 486.321 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccccc4)CCC3)[C@@H]2c2cccnc2)c1 1812994122 VOSBJPSTXYEXHC-QIDLSXJSSA-N 492.623 5.150 30 20 JKED C[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1813232535 AMTFTPHEHJVAPK-KODFZCBSSA-N 489.736 5.017 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c(F)cccc2Cl)n[nH]1 1814668278 JNDHVHMAJVJLND-NRFANRHFSA-N 458.965 5.205 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1)C1=CCCS1 1815272828 DLMYKFFYSJQQRF-XMMPIXPASA-N 482.609 5.136 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815533822 QQCJRBWIUCWGSV-HUJCMKAFSA-N 480.556 5.088 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)[nH]n1 1815651336 VEBZHCPNHFUPCW-HOFKKMOUSA-N 492.645 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)n[nH]1 1816281541 LTUZSPMHQHYSCV-KRWDZBQOSA-N 463.504 5.122 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)c1 1817745453 LJAIHPKGKJOANL-RUZDIDTESA-N 490.567 5.272 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213453 RHMMRHDLYRNQFO-HXUWFJFHSA-N 495.546 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818812812 PWGLAIBFFOMYDN-NLRNRLRDSA-N 458.562 5.630 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)[nH]n1 1819303855 QOWUFXUPZATVGP-WIYYLYMNSA-N 489.542 5.217 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)[nH]n1 1819308834 FDOVFQOTOYRJRW-CVDCTZTESA-N 493.011 5.323 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3nc2Cl)n[nH]1 1820158705 DGPUTWRJLRHLFR-OAQYLSRUSA-N 499.949 5.389 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccc(C)cc4s3)[nH]n2)c1 1820209662 KILBDWOHPQFLGI-QFIPXVFZSA-N 499.596 5.433 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)n[nH]1 1820213280 OSIOJMKBTJCNJE-JOCHJYFZSA-N 490.995 5.100 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)[nH]n2)c1 1820486059 SSUZYQKTIWPFLF-IBGZPJMESA-N 486.334 5.347 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277189 MAPDTOIYBZLUDV-FQEVSTJZSA-N 498.370 5.216 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1822579546 FVOKJCZYNBWRJN-HXUWFJFHSA-N 477.531 5.310 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)nc2ccccc12 1823215537 UPDIWEGZCPILQJ-AFMDSPMNSA-N 492.583 5.513 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1823215644 YUFRVDJWHKDSLU-WULXXNAGSA-N 493.567 5.802 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)c1 1823217505 LJMHJIAQYKVJAE-RCDICMHDSA-N 497.933 5.588 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1823885980 NDWLBXSPCCGNKY-HHHXNRCGSA-N 494.639 5.685 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1823929416 MQHVUIVWVVIPAD-SANMLTNESA-N 491.607 5.340 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1824047021 PFSVZBMXEXQRHE-CLOONOSVSA-N 494.035 5.257 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1824540645 MTXMLIVGBCTHOA-DHLKQENFSA-N 494.661 5.011 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827353227 MMQAKORFONRMJN-NBGIEHNGSA-N 463.597 5.333 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1827509107 MQKLSSKWTBIVPS-DHLKQENFSA-N 481.040 5.285 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc4ccccc34)CC2)c1 1828138089 BJDNJOLPRMNLHS-CCLHPLFOSA-N 496.611 5.115 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 1828497161 HLHXXYMMAQODTI-GMAHTHKFSA-N 489.701 5.046 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(-c5nccs5)noc4c3)CC2)C1 1828501803 GSJUYSXAQYNLDY-QFIPXVFZSA-N 490.629 5.151 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1828713120 BMVZHORPBVPMMG-NRFANRHFSA-N 459.512 5.063 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1828827254 TYRHUYWAECDXQO-LEWJYISDSA-N 493.570 5.111 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 1828827736 TWGKQVMNURAPFD-ISKFKSNPSA-N 468.638 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1 1829067124 CMLAZHDRHBKPIX-OAQYLSRUSA-N 490.570 5.198 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCCCC3(F)F)CC2)c1Cl 1829685943 SKCZSIVWXBWNPI-LEWJYISDSA-N 477.983 5.270 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1829695401 OZVKMSCCDJONAL-SANMLTNESA-N 469.629 5.461 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)c1 1829956361 FPVMNKBPTBBGSR-SANMLTNESA-N 487.003 5.307 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)c1 1830533753 BJYYPITXBMGIGZ-QHCPKHFHSA-N 487.497 5.263 30 20 JKED COc1cc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1830586959 PKODVLIAUBHXQJ-BVZFJXPGSA-N 495.570 5.148 30 20 JKED Cc1snc2sc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)cc12 1830629331 XBMYIIAURDQFAZ-QFIPXVFZSA-N 492.670 5.279 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830781104 LWRLYQUTHXXGJM-VGOFRKELSA-N 467.437 5.126 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1830785014 FAPSFDWADBJHGH-ZUTVHTERSA-N 494.657 5.046 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831306274 UWTQWBVLJDMOBE-NIJXNBFTSA-N 475.073 5.290 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1831371053 QNLXSQBTHKYLKZ-UZUQRXQVSA-N 486.454 5.376 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1831445705 SCFYKNFAUQKPFG-MRXNPFEDSA-N 452.592 5.408 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 1832629209 LRALJOAJXQRDOQ-CJAUYULYSA-N 481.999 5.653 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2c1 1832632728 UWRJQVOYWNOUDK-MMTVBGGISA-N 498.627 5.351 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)cc3F)CC2)c1 1832633631 KQEGJLVIJHILQQ-BCHFMIIMSA-N 479.571 5.068 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3F)CC2)c1 1832633936 PDKPYOYNJWWROR-BVZFJXPGSA-N 465.544 5.139 30 20 JKED Cc1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832703210 WBFWWAQGVJKGFP-QHCPKHFHSA-N 479.646 5.263 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC23CN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)cc1 1844234205 PDESTVQFCKNVPN-JXMROGBWSA-N 485.531 5.009 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nnc1-c1ccccc1 9447053 RAXVZPWVGWUWLF-UHFFFAOYSA-N 475.643 6.181 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1OC 10242857 CDTLIAPOCWMXEV-AWEZNQCLSA-N 478.496 5.158 30 20 JKED COc1ccc(NC(=O)C2=C(C)N(c3cccc(C)c3)C(=S)N[C@@H]2c2cccc(C#N)c2)cc1 10355304 ZUUVNQJRVPIFRS-RUZDIDTESA-N 468.582 5.224 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)c1 11159332 JJTLSQZZOKZGHA-UHFFFAOYSA-O 460.406 5.441 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc2scc(-c3cccs3)c2c1=O 11380747 CCEQTKJSGBRWCN-UHFFFAOYSA-N 498.611 5.320 30 20 JKED COc1ccc(-c2nnc(SC[C@H](O)COc3ccc(CC#N)cc3)n2C2CCCCC2)cc1 15233770 CMDLFTGDTVXOCH-JOCHJYFZSA-N 478.618 5.057 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1cccc(C)c1 22212593 JWRGSZGUTIWFCT-CYBMUJFWSA-N 481.836 6.519 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 23604271 ZQKPBJWAPGWILH-UHFFFAOYSA-O 470.618 5.569 30 20 JKED CCCOc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1OCCC 32672470 CWHOGZZFJJRLKJ-UHFFFAOYSA-N 478.549 5.239 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 32786517 YCWZJDLBQGEEPB-KRWDZBQOSA-N 477.659 5.376 30 20 JKED CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 69627202 BNLDAEYSJMKEAM-HSZRJFAPSA-N 482.005 5.278 30 20 JKED Cc1cc(N(CCC#N)C(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)ccc1Cl 71875226 KJPGLXBEWGGFRF-UHFFFAOYSA-N 462.962 5.034 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cc1 195575094 ROKPDMRGWWEYLL-XMMPIXPASA-N 492.373 5.106 30 20 JKED CC(C)(C)OC(=O)C[C@H](O)CC(=O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 207903643 AZPFWOSGHRUNEF-JXVRESAISA-N 475.560 5.983 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCSc2ccccc2Br)cc1 303001155 ZOWXNWZJSPSZJC-UHFFFAOYSA-N 457.315 5.394 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)C2)c1 303223585 VNZCKBMTXQDDSX-SQHAQQRYSA-N 482.584 5.199 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nn1-c1ccccc1F 303226045 WIWDIJOLFXBSRY-UHFFFAOYSA-N 488.906 5.036 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1C#N 480815975 DFIVLOTTYZSKGQ-MRXNPFEDSA-N 471.586 5.688 30 20 JKED CN(C)Cc1nc(N2CCCN(c3ccccc3C#N)CC2)c2c(-c3ccccc3)csc2n1 488043545 PEDISSCYAGADGP-UHFFFAOYSA-N 468.630 5.008 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(OC)c(Br)c2)cc1 491557021 JQSNYBLDIRFSQH-HSZRJFAPSA-N 494.389 5.285 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 496393416 HNFOJZUSSBPSQO-UHFFFAOYSA-N 457.471 5.338 30 20 JKED Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1NC(=O)c1ccco1 499183496 LLCSFIXCJBVEDS-UHFFFAOYSA-N 467.550 6.257 30 20 JKED CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 499480462 VCUJYASXLLLLNL-UHFFFAOYSA-N 464.612 5.675 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)o1 500970002 WZEZGNHNSGBHRV-GOSISDBHSA-N 452.894 5.194 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1C 501572485 DDVFYQNJPCBNEP-UHFFFAOYSA-N 457.559 5.183 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccccc1OCc1cscn1 501765403 LQLBHWBFTOUVMN-UHFFFAOYSA-N 461.356 5.452 30 20 JKED C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 502540718 IMUYAZBAISHEGD-GOSISDBHSA-N 497.492 5.438 30 20 JKED N#Cc1cn(CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)c2ccc(Br)cc2c1=O 502855144 JPKIJHMGZOKPGE-DEOSSOPVSA-N 478.390 5.073 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 504133046 BPFMYOXMWDGAQL-HSZRJFAPSA-N 487.947 5.081 30 20 JKED CCOc1cc(Br)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1OCC 508039232 PZQYJAJLUMKZQW-UHFFFAOYSA-N 485.334 5.542 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cc1 508288787 NNEGVBQABVPSGV-UHFFFAOYSA-N 476.577 5.006 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)nnc1-c1ccoc1C 510342574 OCLDHDULHQLULX-QHCPKHFHSA-N 450.608 5.562 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 511579384 VAPSEDJGFZXISB-UHFFFAOYSA-N 454.935 5.115 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 511861215 SCXNVHZVSAZWNB-SANMLTNESA-N 485.559 5.214 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1 515356507 VUAGFEQQEIKCCV-UHFFFAOYSA-N 460.563 5.301 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc2c1 516044996 SOFHSOXRWZFXHU-AREMUKBSSA-N 497.982 5.754 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CCOCC1 516356827 MMOKNWWWLUURHC-UHFFFAOYSA-N 490.987 5.277 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)n1 516790452 OUAWETNPAOAUCM-MRXNPFEDSA-N 470.934 5.051 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 516795300 DENCJFYUEDYZKU-HNNXBMFYSA-N 461.421 5.016 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H](C)c1ccccc1Br 517280158 ZITNPSHAGVUALU-QGZVFWFLSA-N 472.383 5.070 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 518248155 FVRXNHZQSMQDBX-PGRDOPGGSA-N 477.561 5.095 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)n2)cc1 518516728 VFAYVVJFMZEUAP-RDGATRHJSA-N 495.560 5.251 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2)c1 518754343 HBGSLLDEUCRHAA-UHFFFAOYSA-N 455.436 5.751 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1cccc2ncccc12 518757375 AUDZGFSVIOEPPC-HNNXBMFYSA-N 472.480 5.016 30 20 JKED COc1cc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC(C)C 518804519 JWMADLNCYINYGV-IBGZPJMESA-N 460.599 6.137 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccc(COCc4ccco4)c3)c2)cc1 519195573 JBSPCVBZSQHORX-UHFFFAOYSA-N 453.498 5.982 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 519942291 UPVAUFWJJGMGOQ-UHFFFAOYSA-N 488.975 5.231 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1C 520187567 SXHDPWQVCZBMST-LJQANCHMSA-N 479.627 5.751 30 20 JKED N#C[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(OCc2ccccc2)cc1 520269859 LEBQSKLPOBEFHK-QFIPXVFZSA-N 461.974 5.842 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c3c(C)noc3n2)cc1 520547367 DDJBBMOHLZUTPS-UHFFFAOYSA-N 452.514 5.062 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 521739434 GRAUUKSCXLSYEF-KUHUBIRLSA-N 462.402 5.547 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1OC(F)F 522322492 GBZDDRCBLWFYHD-KRWDZBQOSA-N 453.464 5.772 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 523599158 JHDCKTQHAIRCPY-UHFFFAOYSA-N 493.542 5.257 30 20 JKED C=CCN(C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21)[C@H](C)c1cccc(-n2cnnn2)c1 561394149 ILDGXAWEOKQPLL-FQRUVTKNSA-N 480.572 5.112 30 20 JKED C=CCc1cc(CNC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc(OC)c1OC 572344588 CHIBANYVWNWCJM-UHFFFAOYSA-N 469.969 5.316 30 20 JKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590979328 MSWXWWKKSFFPBI-HUUCEWRRSA-N 478.399 6.535 30 20 JKED N#Cc1ccnc(SCC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)c1 603724829 DVMVHNBGKOWJLL-UHFFFAOYSA-N 460.559 5.541 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)cn2)cc1 604136159 WJUMRYKYNXHCOO-RUZDIDTESA-N 482.927 5.243 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 609031569 IJUIXAOTZGMFDR-UHFFFAOYSA-N 454.530 5.113 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 609061173 LEGPNUNBWXUMDJ-UHFFFAOYSA-N 471.944 6.325 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4cccc(F)c4)C3)cc2Cl)c1 609079789 KXEGHARNACYDFZ-DEOSSOPVSA-N 465.912 5.535 30 20 JKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609379034 OEJDPEYSJNYTPZ-MRXNPFEDSA-N 469.563 5.131 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)nc2sccc2c1=O 613907362 KBGCHMQNWOFRRG-OAQYLSRUSA-N 482.030 5.295 30 20 JKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642157798 KVVGJBYGUWHXPQ-PJXYFTJBSA-N 470.360 5.578 30 20 JKED Cc1cc(SC(C)(C)C)ccc1NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 726079899 GZXZIXOJDMJYSW-UHFFFAOYSA-N 480.613 5.419 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/CCc3ccccn3)N(Cc3ccccc3C)C2=O)c1 726107287 AXONIQYFPVHTIH-AGZANAATSA-N 486.641 5.078 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc(-c2c(F)cccc2F)cs1 726330035 WNQWYMVHYRNOHZ-ABHNRTSZSA-N 471.573 5.520 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(OC)c(NC(C)=O)c4)c23)cc1 726424484 UBHDJCQRSROUOZ-UHFFFAOYSA-N 461.547 5.170 30 20 JKED C[N+](C)=c1ccn(/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(Cl)c2)cc1 726571859 LCOWLXDQFWNCKM-UHFFFAOYSA-O 470.405 5.022 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CC[C@H](C)OC)cc1Cl 726889769 HDRSWSNAVVAIFW-HRAATJIYSA-N 490.025 5.042 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C)cc2)cn1 726892878 WIFQPTFAYGAIDS-QHCPKHFHSA-N 488.613 5.176 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 726940070 GGLVCNZCAMZCLV-UHFFFAOYSA-N 462.347 5.570 30 20 JKED N#C[C@@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 727631851 MRNMIJBGPZJPIQ-ZDUSSCGKSA-N 452.404 5.796 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)o2)cc1 728109038 KADOJGACXGNESH-MHZLTWQESA-N 498.560 5.123 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728129722 ZUMNFCVLABBFTL-XHBSWPGZSA-N 476.383 6.461 30 20 JKED C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C#N 729727236 OWXCQUFUFMIWSJ-CQSZACIVSA-N 467.308 5.280 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1c(C)noc1C 730444748 OUCUZOBRXKGNFT-HSZRJFAPSA-N 494.592 5.196 30 20 JKED CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)c(C#N)c1C 730447042 JOXKULKFSHHUHG-UHFFFAOYSA-N 456.470 5.311 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCC2)cc1F 730461491 CYTZMTVZGBOBIO-SFHVURJKSA-N 496.391 5.654 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(CCCc2c[nH]c3ccccc23)C1=O)NC1CC1 730714981 ITPDZEINFKDWGF-QFIPXVFZSA-N 481.021 5.054 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730718817 QHPJZYMZOLZQHA-OAQYLSRUSA-N 482.993 5.359 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730720136 HARHLDRPCSFBIU-JOCHJYFZSA-N 492.507 5.267 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 730943550 FQKDXIRECAMYKR-YCRPNKLZSA-N 482.968 5.596 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cn(Cc2ccccc2)c2ccccc12 731067609 BGDWJHSRWFOJEV-FQEVSTJZSA-N 483.593 5.879 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2ccccc2)cc1 731071132 LVGKPDCMASUWPJ-SFHVURJKSA-N 473.554 5.129 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1=S 745161823 GTXKITJNZVPQBT-JOCHJYFZSA-N 484.629 5.259 30 20 JKED COc1cc(C(=O)/C=C/c2cc(Br)c(OC(F)F)c(OC)c2)ccc1SC 747614894 OSBLTKHCXAWFJB-GQCTYLIASA-N 459.308 5.686 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1F)c1nc(-c2c(F)cccc2F)cs1 748007480 VEENHMGXQLCXRN-CYBMUJFWSA-N 497.361 6.100 30 20 JKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 751269943 JCJUTJDSQDAGKP-UHFFFAOYSA-N 493.972 5.343 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)N(CCC#N)CC(C)C)sc3[nH]2)c1 751380483 BWLJNCXIHYACQO-UHFFFAOYSA-N 468.648 5.214 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)c2ccccc2)c1 791132542 LZHJMVFMNJOMIK-SFHVURJKSA-N 483.973 5.150 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccccc1OC 838517932 TVOOKKDCZQKJAM-HXUWFJFHSA-N 475.998 5.036 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3sccc3C)C2=O)cc1 914541110 KJCOSIXLDAKZFD-OAQYLSRUSA-N 495.601 5.559 30 20 JKED CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(-c2ccccc2F)s1 914772180 RHLLNCWJUSVDAR-UHFFFAOYSA-N 479.606 5.063 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 915085598 CTARMOUYAROAHO-IBGZPJMESA-N 455.739 5.775 30 20 JKED Cn1c(=O)n(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc21 915102964 MAKHBOQUHQWXPJ-HNNXBMFYSA-N 471.369 5.037 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 915353826 XZNNMLBQCYQAQG-QFIPXVFZSA-N 462.956 5.484 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccccc2)cc1OC 916134416 SCJBRAUGLJHDAJ-WQLSENKSSA-N 451.906 5.271 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccccn3)C2=O)cc1 916209582 OAIZVNYBQCRYTO-OAQYLSRUSA-N 464.978 5.204 30 20 JKED CCOc1c(Br)cc(C=Nn2c(S)nnc2-c2ccccc2C)cc1Br 916342119 UXOLUXZFQLBWLI-UHFFFAOYSA-N 496.228 5.348 30 20 JKED CCSc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2[C@@H]2CCCO2)cc1 916366254 DMIATTVGJZLUGF-NRFANRHFSA-N 476.631 5.265 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)cc1 916896872 PRCPJFWGTMYMIN-XMMPIXPASA-N 451.526 5.432 30 20 JKED N#C[C@H](C(=O)Cc1csc(Cc2ccccc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916905783 NAPOIWVQEOSZTK-JOCHJYFZSA-N 467.550 5.416 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916916338 RXWVCFNNVLKJPO-FQEVSTJZSA-N 475.957 5.798 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916927921 FQDVZCZNZMCHMT-QGZVFWFLSA-N 473.385 5.236 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3ccc(Br)cc3)n2)cc1 916971569 BTOBCTAAGAEDBB-GOSISDBHSA-N 457.418 5.991 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997022 QQPJEHAQFATBHU-XIKOKIGWSA-N 490.437 6.432 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 917025540 NDKVOQFWSYIDAK-LJQANCHMSA-N 459.600 5.285 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2Cl)cc1 918052755 OYDVDYVPCXPZFS-JOCHJYFZSA-N 477.948 5.923 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)Nc4cccc(OCC#N)c4)sc3[nH]2)c1 918596502 MHKRSFGDOXTPLM-UHFFFAOYSA-N 490.610 5.357 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1csc(COc2ccccc2)n1 918710070 FLXTXSPMGQKHBB-UHFFFAOYSA-N 462.387 5.458 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 919665516 AMALAASFHUTIFA-DEOSSOPVSA-N 481.577 5.824 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3c(C)noc3C)C2=O)c1 920354078 YQFHARQZXZZIIA-QFIPXVFZSA-N 480.565 5.208 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)n1 921249406 HBZCATJQAPVPSD-NYXAKURHSA-N 483.549 5.503 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)NCC(C)(C)CCC#N 1436588306 LDUAFTHXEPHCEI-OAHLLOKOSA-N 454.621 5.132 30 20 JKED C[C@@H](Sc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 1640927227 YDEIBCKHDOFESU-LLVKDONJSA-N 458.996 5.310 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1782035984 KOMGXSYKHVXFSA-VWLOTQADSA-N 493.570 5.017 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC)c(OC)c4Cl)CCC3)cc2)C1 1785803864 ZQNGGQDZPHIGBY-UHFFFAOYSA-N 454.954 5.071 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4CC(F)(F)C4)cc3)CCC2)cc(C(F)(F)F)c1 1785909040 HQZCRJPAMOTIEU-UHFFFAOYSA-N 477.433 5.370 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccnn4C)c(Cl)s3)CCC2)cc1 1786370559 ABHAJIBAEVOSHA-MRXNPFEDSA-N 499.036 5.141 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1786371496 MOCWMGPGYUQXJW-HXUWFJFHSA-N 455.558 5.087 30 20 JKED CO[C@H](C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1)c1ccccc1 1787849943 DMTNIDSXGDNZBA-MHZLTWQESA-N 467.569 5.013 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)cc2)CCC1 1788724347 CMFQZPKDNJPFAC-QGZVFWFLSA-N 477.527 5.427 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)coc3C)cc2)CCC1 1788789763 OMWPIELBQNFSEU-UHFFFAOYSA-N 456.411 5.566 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1 1788879959 MKCXJUFCNDSYFZ-UHFFFAOYSA-N 457.046 5.732 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5ccnc6ccccc56)cc4)CCC3)c2c1 1788891168 NSZBRFQCEDWDAN-UHFFFAOYSA-N 486.535 5.044 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CS[C@@H]4CCCCO4)cc3)CCC2)c1Cl 1789551213 AYMJOLHKGXTMFT-JOCHJYFZSA-N 484.021 5.219 30 20 JKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)ccc5F)cc4)CCC3)ccc2n1 1790764041 RRULYBVESFRWLR-UHFFFAOYSA-N 478.527 5.616 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCc3cnc4ccccc4c3)CCC2)cc1)C(F)(F)F 1791302287 BJRNOFSRXORSIA-UHFFFAOYSA-N 467.491 5.420 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)cc2)CCC1 1791503458 VPVDJGDDHLUENY-UHFFFAOYSA-N 456.373 5.463 30 20 JKED Cc1nccn1CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791830864 QXWLXAYCFRMMLX-FQEVSTJZSA-N 469.589 5.047 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1F 1792123361 WFXOYOJPWNUGNQ-SFHVURJKSA-N 471.532 5.523 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc2)CCC1 1792218250 YJEDCDRTOPUDBR-UHFFFAOYSA-N 457.615 5.028 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)oc1C)c1ccccc1 1795128676 WSIPUXSWBYBVML-UEQSERJNSA-N 460.618 5.335 30 20 JKED Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)c(C(F)(F)F)o1 1795141124 VRXOUKWAMADFKL-BJWYYQGGSA-N 499.411 5.063 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(ccc4ncccc43)s2)c1 1799122203 LDEVCQKSYQLXFS-KOUNCHBCSA-N 494.620 5.206 30 20 JKED C[C@H](c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc(C#N)c2)C3)cc1)C(F)(F)F 1801455865 ZRHUXWCFCGZNHA-FUJBWUKOSA-N 497.561 5.038 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccnc(C(C)(C)C)c2)[C@H]1c1cccnc1 1802493378 XOASLNAVBPPYCW-VWNXMTODSA-N 462.638 5.086 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1802498900 OZWMUYSGFWVRAM-DVECYGJZSA-N 479.621 5.747 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1802501363 MGXCKXAWTSBPRR-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1803081259 IMNQGLHKHRXAHG-UPVQGACJSA-N 451.998 5.131 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4cc[nH]c4cc3Cl)[C@H]2c2cccnc2)c1 1809403357 SRFQZYYSSJUEPH-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1810173427 OPRRMJAOXXWIBZ-GPUOULLFSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1810175909 PLOZFCDBDXSLQF-WMTXJRDZSA-N 451.998 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1810502698 KQOKUHPLTDPKPA-OFNKIYASSA-N 454.014 5.355 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)oc2ccccc12 1811747026 YNEKHSPMFJIWOM-NBGIEHNGSA-N 498.970 5.295 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)s1 1813374535 VSFOTDGAXXTZLI-IUFAXPLWSA-N 484.625 5.112 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)[nH]c12 1813866195 NINMHHBXAMSWTA-CHDKBHGASA-N 491.595 5.132 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)Cc3cccc(Br)c3)[nH]n2)C1 1814396526 HESHUOAESZVYCY-HRAATJIYSA-N 485.426 5.009 30 20 JKED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1)c1ccc(Cl)cc1 1814660421 LWPVCRFPPXUCIS-AOMKIAJQSA-N 461.953 5.044 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](CC=C)NC(=O)OC(C)(C)C)[nH]n1 1814831217 VFIMWEHYEVYIIP-UNMCSNQZSA-N 499.656 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(OC)cc2)n[nH]1 1816799365 MLKARRMFVOHWEQ-JOCHJYFZSA-N 452.599 5.036 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3sccc3s1)CC2 1817288612 IEOUSIYGTFJNPA-BTDICHCPSA-N 499.664 5.146 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(F)(F)F)c[nH]2)n[nH]1 1818207924 KLTAXANSRGRWLV-LJQANCHMSA-N 493.606 5.114 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)ccc2c1 1818527920 YXJNDTHBAKULHJ-SANMLTNESA-N 492.583 5.077 30 20 JKED CC1=CC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC3)CC1 1818627449 ARLQRURNXMJRPD-YJBOKZPZSA-N 488.535 5.006 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1)NC(=O)OC(C)(C)C 1818810511 VJGWOXZTRRXWAQ-URVUXULASA-N 499.656 5.008 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)cc1 1819026281 BGDNHAGAIVMLFD-GOSISDBHSA-N 475.599 5.106 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)[nH]n1 1819305997 ULNMKUIKMBVCSW-GHTZIAJQSA-N 462.550 5.244 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)c1 1820526902 QDXJMRDIWARUGJ-NRFANRHFSA-N 481.478 5.228 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccccc3Br)CC2)n[nH]1 1820946434 KVIZSISCMHNODF-UZLBHIALSA-N 485.426 5.108 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)n[nH]2)c1 1821087661 ZNULEGQMJFDZAN-HXUWFJFHSA-N 485.441 5.059 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C2=CCCS2)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821151100 SQRNTPSEWAMJMT-XMMPIXPASA-N 482.609 5.136 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)CC1 1821179379 CFNVQSKFVNYPLG-QHCPKHFHSA-N 461.610 5.388 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)cc1 1821179440 DZZQCJDIFXVSEI-NRFANRHFSA-N 481.478 5.114 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCCCC3)[nH]n2)cc(C(F)(F)F)c1 1821308864 KVBHLUXUJJVKBC-HXUWFJFHSA-N 473.499 5.186 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccccc3c2Br)n[nH]1 1821533333 ZNFIGWBVOOPADA-HXUWFJFHSA-N 479.378 5.045 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc3ccc(Cl)cn3c2C)n[nH]1 1821561856 HRZXYRXSSONOKB-FQEVSTJZSA-N 481.000 5.094 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccc(Br)cc3c2C)n[nH]1 1821612644 YZYARDPGOIYRLR-VLIAUNLRSA-N 498.425 5.480 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](c3ccccc3)N(C)Cc3ccccc3)n[nH]2)C1 1821755547 CYEKUXITVQHHAD-XTEPFMGCSA-N 497.643 5.241 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)[nH]n1 1822399271 VIKWLTARBSYBGD-MRXNPFEDSA-N 473.396 5.269 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccnc(C(C)(C)C)c3)[nH]n2)c1 1823212770 ZDECLTFAWZOZCX-MBSDFSHPSA-N 484.604 5.349 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)sc3C2)C1 1823375280 NJIDDTWOOFRFFN-CYBMUJFWSA-N 469.916 5.007 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1823912069 LPWLTTGCMVZRIL-DEOSSOPVSA-N 467.972 5.206 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1824240272 FSGCOOMBWYDKTC-PYHNJFEDSA-N 492.685 5.547 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1824960894 ZRBYIVGGOQPIRH-QFIPXVFZSA-N 495.516 5.564 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(C(C)(C)C)nc2)CC3)c1 1827690354 CZOXBIGODQPFMG-OXJNMPFZSA-N 487.629 5.002 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 1828820771 FIUAVLIQYPFAQG-LOSJGSFVSA-N 452.614 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1828827826 VWXRTHOCKBGXOA-XUZZJYLKSA-N 473.608 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 1828829097 AAQHLVLAMQSVIZ-DNQXCXABSA-N 473.057 5.279 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1)c1ccccc1 1829034635 BCKHIDCJDNEUGP-RLPBLLJUSA-N 483.656 5.302 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829521505 XGSHFYQGDFQNRZ-MHZLTWQESA-N 457.618 5.176 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1Cl 1829688303 VZAOETPONMWKFO-XMMPIXPASA-N 494.010 5.316 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829925794 VOZJYLIVTXAKDM-VWLOTQADSA-N 482.741 5.370 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1830414228 JFRSNNDXGLSXPS-UWJYYQICSA-N 473.614 5.075 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(C)noc3-c3ccccc3)CC2)c1 1830768221 NAPASXARWHQHHY-SANMLTNESA-N 496.611 5.377 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830858147 IJXHAZGGJSZARQ-MHZLTWQESA-N 486.015 5.173 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1)C(F)(F)F 1831453223 XFGRUDVXLSTQBP-SFHVURJKSA-N 468.516 5.392 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831480627 KQKIBGJLZYZJTJ-HMNRDNJPSA-N 470.774 5.484 30 20 JKED C[C@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC=CCC1 1832406648 KLGSHJKWQNXTFK-BVAGGSTKSA-N 487.566 5.557 30 20 JKED Cc1cc(C)n2ccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2n1 1832634895 XDGRAWTUWAREIF-CCLHPLFOSA-N 497.643 5.125 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(Cl)cc1 9414676 KUDJZZKTNDEETF-UHFFFAOYSA-N 491.400 5.020 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)n(C)c1C)[n+]1ccc(Cc2ccccc2)cc1 10118258 MSQKRBYYAPISDX-UHFFFAOYSA-O 484.645 5.580 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172812 QZMWYYDHYWMSLM-UHFFFAOYSA-O 458.554 5.144 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173294 XXXDSCWLKYEDFJ-UHFFFAOYSA-O 479.669 7.048 30 20 JKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N 10399493 YIGUDASYBNIBKE-UHFFFAOYSA-N 493.429 5.055 30 20 JKED CCn1c(SCC(=O)OCc2ccc(C#N)cc2F)nnc1-c1ccc(Cl)cc1Cl 11214574 TUXYXRGGTBFPEF-UHFFFAOYSA-N 465.337 5.118 30 20 JKED Cc1nc(CSc2ccccc2C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 11596090 QEQNVGCBJZPFII-UHFFFAOYSA-N 497.667 5.741 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2ccc(N(C)C)cc2)cc1F 14872403 KBNUHZKODXLIQW-UHFFFAOYSA-O 484.620 6.206 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(Br)c2)c1 15247639 SZXJTVFHKGZCFI-UHFFFAOYSA-O 460.804 5.749 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2C(=O)c2cccs2)n(C2CCCCC2)c1C 16674672 CXHPYCSUZUZZNQ-UHFFFAOYSA-N 489.597 5.570 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2ccccc2c1=O 16736076 ZTOMKKXRVKRUAB-LBPRGKRZSA-N 467.900 5.374 30 20 JKED COc1ccc(CSc2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)s2)cc1 16836654 UGMYQRAJMLTFHM-GFCCVEGCSA-N 477.036 5.483 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Cl)c2C)cc1 22728217 KJSNXZFJBVLOOH-UHFFFAOYSA-O 488.023 7.169 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22728675 JIHUZAOBUHRRAF-UHFFFAOYSA-O 473.662 6.426 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)s1 22730826 SXIAPMJRSRNKMB-UHFFFAOYSA-O 457.644 5.663 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22732363 NBXQXLNGHORESE-UHFFFAOYSA-O 495.668 6.577 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)NCCc2ccccc2)cc1 22735627 JENUIILWTIBKGD-UHFFFAOYSA-O 467.605 5.927 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 22800393 BZXVTVZZPBPPFT-UHFFFAOYSA-O 458.922 5.343 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22802338 FFKPQCLMRUEOIU-UHFFFAOYSA-O 483.604 5.330 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccccc2OC)cc1 28695708 OGDFFNDLBAECDE-UHFFFAOYSA-O 492.665 6.085 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nnc1-c1ccoc1C 36828124 PFNDOURGJJZECV-UHFFFAOYSA-N 454.577 5.466 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ncc(-c2ccccc2Cl)o1 72055936 VTKHLCSADOMRKQ-UHFFFAOYSA-N 477.761 6.044 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc(COc5ccccc5C#N)o4)CC3)c2c1 117624979 VHIONDSJWMIVOM-UHFFFAOYSA-N 453.498 5.150 30 20 JKED N#Cc1cc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)ccc1OCC(F)(F)F 481831859 QSWCCBUSRPLYDD-NRFANRHFSA-N 498.461 5.030 30 20 JKED C=CCn1c(SCc2nccn2CC(F)(F)F)nc2sc(-c3ccccc3)c(C)c2c1=O 483132306 VYFJSWCUABMPRK-UHFFFAOYSA-N 476.549 5.671 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4cccs4)on3)s2)c(C(F)(F)F)c1 487320868 IQEINFSXJZENPX-UHFFFAOYSA-N 460.462 5.593 30 20 JKED C=CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491025351 BPOFRSUWEFXDKY-UHFFFAOYSA-N 454.617 5.344 30 20 JKED O=C(C[S@@](=O)Cc1ccccc1OC(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 495903309 GGTRKNXYIYYXON-HKBQPEDESA-N 475.357 5.213 30 20 JKED Cc1nc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)sc1SCC#N 504837097 NFKIFUKDUGQNMK-UHFFFAOYSA-N 474.036 5.741 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc3scnc3c2)c1 505845463 OTOFRHIRTZEORD-UHFFFAOYSA-N 484.002 5.583 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 508501143 XIYBVYALNSBZBK-MRXNPFEDSA-N 453.614 5.465 30 20 JKED C=CCN(C(=O)c1cc(C)nc2c1cnn2[C@H](C)CC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 508907519 QLQPJSCGIXYJNG-MRXNPFEDSA-N 476.562 5.575 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OC 510130735 PYKGPQNDQOBSSQ-QFIPXVFZSA-N 490.629 5.642 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 510857027 KGPHCVRCVRNNBW-UHFFFAOYSA-N 498.627 5.552 30 20 JKED C[C@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)C1 511401102 XHQIQUVUUGZWCL-QHCPKHFHSA-N 482.628 5.885 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 511765082 LWFSIZUBSZWIDB-QFIPXVFZSA-N 497.642 5.119 30 20 JKED C=CCc1cc(CNC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc(OC)c1OC 512650634 DLCMWAFUHUKVBM-UHFFFAOYSA-N 476.520 5.434 30 20 JKED C=CCN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514761375 NADOEFHPGNDOKG-UHFFFAOYSA-N 494.554 5.766 30 20 JKED C=CCN(C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516069067 FOAKBVDAGJQXLS-LJQANCHMSA-N 498.670 5.632 30 20 JKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccccc1 516409899 JWHFOSZQXPZYNI-DEOSSOPVSA-N 456.546 5.286 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1ccc(Br)cc1 516733841 YENPFLGVFCEGBL-UHFFFAOYSA-N 478.346 5.019 30 20 JKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517461923 SRVPWNIYJHQCCG-LBPRGKRZSA-N 455.483 5.739 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 517466339 NXSZWPVHJJHBAJ-OAHLLOKOSA-N 461.509 5.087 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 518150875 HNBSAUFGCHBKFE-UHFFFAOYSA-N 481.521 5.041 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 518260632 PGMCFYUCSITVEO-JKSUJKDBSA-N 450.589 5.020 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 521121827 SSFKLUCTOBLBAC-DEOSSOPVSA-N 496.954 5.438 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 521738805 MEYFKVNLRACWDD-NCOGPRPNSA-N 481.621 5.290 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 521810274 KFPYGYVOJUCKDD-HXUWFJFHSA-N 467.598 6.255 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(OCc3ccccn3)cc2)cc1 523522244 CDPPEORGDPYEKE-UHFFFAOYSA-N 480.543 5.583 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 523918547 LCFQUUIQJHDHFO-HSZRJFAPSA-N 457.530 5.201 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nnc(N3CCCCC3)n2Cc2ccco2)cc1 591605320 XEKDMTINDBREID-UHFFFAOYSA-N 455.587 5.741 30 20 JKED O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)N1CCc2cc(F)c(F)cc21 594460548 TZBUMUZYSHEPCE-UHFFFAOYSA-N 478.755 5.358 30 20 JKED Cc1ccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(Br)c1 603818617 UMXDWUNBVLNIRI-UHFFFAOYSA-N 468.376 5.504 30 20 JKED CC(C)Oc1ccc(CCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604138387 WVQCSTQFTAYQNU-UHFFFAOYSA-N 477.948 5.089 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 608876241 GWJXPQQMDNGGTD-QFIPXVFZSA-N 495.004 5.198 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC3CCN(c4ccccc4)CC3)cc2Cl)c1 609080128 UMFVAVWTKVMJFN-UHFFFAOYSA-N 460.965 5.581 30 20 JKED CC1CCN(C(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)CC1 609206144 AMSZSJONBSXOJL-DEOSSOPVSA-N 479.024 5.498 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 609370970 NTKZGAIGPROXGU-KRWDZBQOSA-N 479.675 5.762 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 609377339 UDEQDPJCKZSNEL-AWEZNQCLSA-N 484.672 5.399 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 613319199 VVCURQIHEUUMFU-FQEVSTJZSA-N 488.034 5.293 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1F 613390688 YHTVHKVFYPRAHX-QZTJIDSGSA-N 460.578 5.781 30 20 JKED C=CCN(C(=O)c1nc(-c2ccco2)sc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 641967116 NVWNKIXXISVSKA-UHFFFAOYSA-N 485.612 5.071 30 20 JKED C=CCN(C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 642361003 JHQBDGYOJQHCTK-UHFFFAOYSA-N 499.423 6.709 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(Br)cc1 677050917 GJGYOIHCFRZLAK-CQSZACIVSA-N 468.380 5.797 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(C2CC2)[C@@H]2CCCc3ccccc32)c1=S 725771004 GKNRTVGHPVAHCY-XMMPIXPASA-N 451.684 5.128 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 726320986 AREXBZUZOODNHN-UTKZUKDTSA-N 484.581 5.990 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 726322305 UQWAEJLWDQUKRL-MRXNPFEDSA-N 465.296 5.466 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CCC)C1=O 726418768 AZKOMEAOGNWMKB-AJHBCDHZSA-N 459.637 5.337 30 20 JKED C[C@@H](c1cccs1)N1C(=O)/C(=C/c2cccc(OCc3cccc(C#N)c3)c2)SC1=S 726630754 XHDATZRCTRQCEN-GLFIFPSUSA-N 462.621 6.161 30 20 JKED N#C[C@H](C(=O)CCCCc1ccc(I)cc1)c1nc2ccccc2n1C(F)F 727954601 SBBORTQBVDZAJS-MRXNPFEDSA-N 493.295 5.625 30 20 JKED Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccc(C#N)cc1 728371852 ARVMILGBYGLWNC-INIZCTEOSA-N 455.436 5.169 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 728740582 OJZSTYQJVHZVFN-JOCHJYFZSA-N 455.436 5.533 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCCCC#N 728777701 MWPMIJQARUNILU-FQEVSTJZSA-N 454.983 5.303 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(CCCCC#N)C2=O)c1 728778927 GIAXHQYQLWNPEF-QHCPKHFHSA-N 478.618 5.473 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 729145096 HWQWDOSSZQSRID-LJQANCHMSA-N 496.017 5.137 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729146231 QEXMBCFSFBROAC-CTNGQTDRSA-N 459.974 5.088 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cccc(Cl)c2)cc1 729668329 HMCJXBXSXOJYQE-UHFFFAOYSA-O 486.013 5.962 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCC2)cc1Cl 730462771 PMVPWRFASMIZNM-LJQANCHMSA-N 461.946 5.001 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2C)c(C)s1 730708996 LUFQAYFFBPOQIC-UZLBHIALSA-N 479.631 5.185 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)cc1 730719880 KKWYZMSKTMARJW-XMMPIXPASA-N 484.581 5.551 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cocn3)C2=O)cc1 730724510 NGIDTXMNUZGMSU-QHCPKHFHSA-N 470.554 5.297 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 731063355 LIOSHRJYNGPZFW-QGZVFWFLSA-N 479.627 5.403 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1ccc(Cl)cc1 731071488 PCRXLWVZVOFTML-HNNXBMFYSA-N 468.966 5.024 30 20 JKED O=[N+]([O-])c1cc(C=NOCc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1N1CCCC1 744180733 ZAEWMVDBLBECQR-UHFFFAOYSA-N 476.480 5.888 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCOC(C)(C)C)c1 746698159 WCXCFZUJDBAFLN-QFIPXVFZSA-N 483.634 5.033 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)ccc1S(C)(=O)=O 747061058 CGBWORZRVNDLMI-BJMVGYQFSA-N 487.917 5.349 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CC[C@H](C)c2ccccc2)C1=O 749739366 BIKVKBXPGZWZHW-HNAYVOBHSA-N 477.602 5.263 30 20 JKED C=CCN(C(=O)COC(=O)c1cccc(Cl)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 750163766 BQPATFCZZZYQGM-UHFFFAOYSA-N 482.776 5.541 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1 750394374 GGZYLWNVMQJNGJ-RXVVDRJESA-N 487.654 6.317 30 20 JKED N#CCCn1cc(C(=O)COC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2ccccc21 825349010 KIUGPZQPQSJLBF-UHFFFAOYSA-N 497.498 5.666 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1sc(C)nc1-c1cccs1 864172174 HGBVJPOZHYKQAT-UHFFFAOYSA-N 463.378 5.361 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 899903048 QZZSJFGNFQOXOX-UHFFFAOYSA-N 470.535 5.240 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)c1 904634009 ISAAJYDDDZQDSH-MRXNPFEDSA-N 479.924 5.129 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)N(C)c2ccccc2)c1 912897778 YHAXTUTURZHLLW-QFIPXVFZSA-N 483.568 5.072 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 915104610 UHDCUJCRHPGNQR-INIZCTEOSA-N 451.502 5.203 30 20 JKED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 915570866 RPEOYPFIURAAMW-AWEZNQCLSA-N 466.962 5.071 30 20 JKED COc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916137535 FHUOUWFTOZGMCO-TWGQIWQCSA-N 499.441 5.356 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CC3)C2=O)c1 916213644 DTLSWIVMJBSFAW-LJQANCHMSA-N 475.586 5.741 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccccn1 916217880 XWVVSJBVXYFJLU-QFIPXVFZSA-N 476.577 5.041 30 20 JKED COc1cccc(-c2nc(C=Nn3c(C)nc4sc5c(c4c3=O)CCCCC5)cs2)c1 916273331 XLRMHKGOMWICMW-UHFFFAOYSA-N 450.589 5.050 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1F 916277170 VWCRVOXKOLMBBG-UHFFFAOYSA-N 482.924 5.136 30 20 JKED Sc1nnc(SCc2ccccc2)n1N=Cc1csc(-c2cccc(Br)c2)n1 916368980 YZNJETQCVFUFEB-UHFFFAOYSA-N 488.461 5.627 30 20 JKED COc1cc(C(=O)Nc2cccc(OCC#N)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 916410757 DADSRJJEGVGEDB-UHFFFAOYSA-N 453.838 5.204 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)c1nc(O)c2c3c(sc2n1)CCCC3 916846779 FCSFRIRHTJIODM-FYGXRCCRSA-N 475.570 6.033 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)c1ccc2ccccc2n1 916849405 QGXXIYSQQZUMDB-BWKNWUBXSA-N 457.327 5.994 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(SC(F)F)cc1 916888167 SJBUBJFXBORKDM-QGZVFWFLSA-N 475.904 5.590 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 916903231 QBBJPZNDZZXNMP-LJQANCHMSA-N 485.371 5.003 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(Cl)c1OCC(C)C 916908155 LRRSNZRYHCCLPW-HXUWFJFHSA-N 492.959 6.137 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 916941801 CVSOCYGHMZEVFH-OAHLLOKOSA-N 461.326 5.346 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)cc1 916973041 SCEKUXMTHAHHRO-ZEQRLZLVSA-N 465.578 5.336 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C/c3cccs3)n3nnnc3-c3ccccc3)n2)cc1 916974976 SYJFAHLAPLVCHH-KUOTXRDYSA-N 494.605 5.708 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)c1 916975935 GPULORZVNJYABJ-UGKGYDQZSA-N 478.017 5.809 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996488 MZSZPGDJFRGUKM-MRXNPFEDSA-N 451.375 6.366 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 917020863 QPESXUXSKUOHPD-JOCHJYFZSA-N 495.457 5.161 30 20 JKED N#C[C@@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2s1 917044631 UIGSARMRQRBBNR-AWEZNQCLSA-N 460.437 5.314 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 917504989 IXSLEYWOSNBWCS-JOCHJYFZSA-N 495.535 5.644 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C=NN1C(=O)c2cccc3cccc(c23)C1=O 917535099 WWMHHDJTCANDPY-UHFFFAOYSA-N 473.330 5.035 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2ccc(Cl)s2)C1=O 917657779 QQDOZQVYLSIBOR-AWEZNQCLSA-N 476.838 5.019 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 917680651 JVHQGMDVSHTBSF-HXOBKFHXSA-N 494.592 5.076 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1ccccc1 917703176 MWSKUFKUTMCPEF-QHCPKHFHSA-N 490.535 5.039 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 917706978 FKZGEQQPEYDADT-OPAMFIHVSA-N 489.988 5.328 30 20 JKED C[C@@H](NC(=O)c1ccccc1NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccccc1 917813017 QYFICPLTDDLCCF-HXUWFJFHSA-N 491.551 5.287 30 20 JKED CC(C)OCc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)oc2ccccc12 918163829 UAQCNOZFLBPEEI-COOPMVRXSA-N 497.617 5.203 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 919251068 MSNMTHZREFOKJH-DEOSSOPVSA-N 499.398 5.576 30 20 JKED C=CCN(C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 919978725 IYXFXTFRRXQDHC-UHFFFAOYSA-N 499.474 5.756 30 20 JKED COc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)ccc1C 920168359 LJNMRFCEMQSIFZ-DEOSSOPVSA-N 484.581 5.036 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@H](C#N)c4nc(-c5ccncc5)cs4)cc3)ccc12 920265021 IUVWIBLHMWCUEG-QHCPKHFHSA-N 493.544 5.689 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 920356866 VVGZEIXREBUWFF-XMMPIXPASA-N 490.629 5.686 30 20 JKED N#C[C@H](C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc(-c2c(F)cccc2F)cs1 920805094 GYRLPJAJPUZROM-CHWSQXEVSA-N 492.334 5.624 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 926220731 ORSUBLNAGOBKMB-QGZVFWFLSA-N 467.978 5.193 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@](C)(NC(C)=O)c3ccccc3F)CCC2)cc1 1786102807 AXNIKQMBURDLBG-MUUNZHRXSA-N 491.607 5.080 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786182589 WWGGUTHHQYIPFS-ZEQRLZLVSA-N 495.664 5.582 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CSc3ccc(C)cc3)CCC2)cc1 1786365970 BAAKKYSNJNKSMQ-UHFFFAOYSA-N 452.620 5.204 30 20 JKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)[C@@H](S)C(C)C)cc4)CCC3)c2s1 1786394226 XRFOUROXDJQVTQ-FQEVSTJZSA-N 453.633 5.307 30 20 JKED C[C@H]1CN(Cc2ccccc2)C[C@@]12CCC[C@H]2C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1786585645 QCEWGBAHVSEHII-VZPHFUHGSA-N 498.671 5.363 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)nc4)cc3)CCC2)c1 1787427144 ZLICKHUWJVEVFI-UHFFFAOYSA-N 494.473 5.042 30 20 JKED CC(C)Oc1ccc(/C=C/C(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)cc1Br 1787649473 GFEOLZUCZWHGGQ-VZUCSPMQSA-N 496.405 5.297 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CNc5ccccc54)cc3)CCC2)cc1C#N 1788049088 QAWVHWOINREEJS-RUZDIDTESA-N 494.595 5.302 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)cc2)CCC1 1788883751 ITXPAGUAMYPPAL-UHFFFAOYSA-N 460.921 5.189 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccccc5n4)cc3)CCC2)c1Cl 1788891727 DSFHGTZDWJDUGD-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454062 OEKJJBGOKIZXJY-NEKDWFFYSA-N 495.664 5.536 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c5ccccc5n5ccsc45)cc3)CCC2)C1 1790001422 RQDFVAZQVKZWCO-UHFFFAOYSA-N 455.583 5.868 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C(=C)C(F)(F)F)CCC2)cc1 1790518996 BUVYCQPLIRUPIR-LJQANCHMSA-N 495.542 5.099 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3csc(C)n3)CCC2)cc1 1790519894 LAJXXWCJTBNSFO-HXUWFJFHSA-N 498.649 5.059 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)CCC1)C(F)(F)F 1790591359 AKZVMACJPJTAJQ-UHFFFAOYSA-N 497.311 5.324 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccc(Cl)c(F)c4)CCC3)cc2)cc1 1790705004 BCRBVJCUHBLIQS-UHFFFAOYSA-N 491.950 5.372 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)[nH]n4)CCC3)cc2)c1 1790765074 QLXMSCIUKOIWHD-UHFFFAOYSA-N 479.515 5.149 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cnccc45)CCC3)cc2)c(Cl)c1 1790768033 YCAOMRLMTUXAOO-UHFFFAOYSA-N 469.932 5.149 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc4ccccc4c3Br)cc2)CCC1 1790952959 QVSZDJMOGHFIOP-UHFFFAOYSA-N 462.347 5.264 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791402930 KKNSOOZKGUFNIL-PKTZIBPZSA-N 493.648 5.146 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1791454225 OWUUPMWSJOBKDQ-GOTSBHOMSA-N 481.637 5.288 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1791585501 FGSDERPLQYIARN-UHFFFAOYSA-N 455.583 5.705 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3Br)cc2)CCC1 1791684590 UVJLVXDFKCOJIZ-MOVXZBDNSA-N 498.421 5.397 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)ccc1F 1792380598 XAZPOQPXEIHWGE-AREMUKBSSA-N 467.491 5.120 30 20 JKED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1792706544 MJVZOPSPMBSKDS-SYJHRWSASA-N 490.623 5.226 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc(C#N)c1 1792940352 GBLJOUQZCYIENE-ACDBMABISA-N 470.400 5.058 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1)c1c2ccccc2n2ccsc12 1792944428 QRPQGPMGEMPMIP-WKCHPHFGSA-N 488.012 5.111 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cc(F)cc(F)c1)C2 1798331509 PITBMPHXUAMLCW-BJESRGMDSA-N 465.544 5.047 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1SCc1ccccc1)C2 1798333697 FHZZASRJAGKWOO-UEQSERJNSA-N 475.658 5.394 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C2 1798420774 UEQFWSZBNLNRIH-WKCHPHFGSA-N 464.604 5.008 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]4CCCC[C@H]42)C3)c1Cl 1799302866 ZSURHXDFZBEKJX-MCAKUDAQSA-N 454.014 5.070 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)c1 1801461435 XXJXEVQUHCIVME-YLJCJYEASA-N 483.534 5.027 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1803082875 YSVYDZHWFWNIAF-ZJSXRUAMSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1803091796 REXDUECDWNIUHG-SQJMNOBHSA-N 482.024 5.222 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1803988545 HNQHRBGFWZSPKW-CFBBYLOMSA-N 479.587 5.449 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3sc(-c4ccccn4)nc3C)CC2)C1 1804858828 OOJQGGWPUIVOQT-UHFFFAOYSA-N 480.678 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1810181812 LHFLVSNLNGHSHE-XERFRFFQSA-N 477.624 5.435 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810240857 RTLMJMNFIYGNBQ-MTMIEEBDSA-N 475.658 5.470 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccnc1 1810501725 CKTUEXMOSXOVJK-REWPJTCUSA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1810503079 NXSBWRQKNUTJEG-VGOFRKELSA-N 492.422 5.840 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(C)ccc2F)[C@@H]1c1cccnc1)c1ccccc1 1811031852 GHJYYTNJKZLACF-VBOOUTDYSA-N 483.587 5.046 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1811794860 DSDDKBWQGCFWOV-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC=CCC1 1811873489 PPYLNSXOXVVENT-CLLDFNAGSA-N 496.533 5.038 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc4ccoc4c3)[C@@H]2c2cccnc2)c1 1812150254 IJWAZDRBIZQRPT-JRLVAEJTSA-N 478.552 5.088 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1813050170 MVJHCTGKDALPSN-FUFSCUOVSA-N 497.664 5.497 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1813864237 XLYRZTLHOYNBKR-GVCORALISA-N 487.003 5.304 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(Cl)cc3F)[C@@H]2c2cccnc2)c1 1813973863 YTTBFMBJQDMCBP-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccccc3)CCCC2)n[nH]1 1814685118 YWHZCTXNMFVWQW-FQEVSTJZSA-N 456.537 5.125 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1814826785 ATSZWPSRLIMHJQ-OAQYLSRUSA-N 452.599 5.683 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1814828794 SFSXKZVMQZTBQB-HSZRJFAPSA-N 477.996 5.686 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815209166 ZLTRRJVNYAHLTK-DEOSSOPVSA-N 488.588 5.491 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)[nH]n1 1815209269 APFBLMJXUBEFRB-FQEVSTJZSA-N 479.408 5.314 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1815247070 VNUXMNPVDSKLBR-AEFFLSMTSA-N 499.862 5.086 30 20 JKED Cc1csc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1815896708 YRYXXCVAGKGZBT-FQEVSTJZSA-N 482.009 5.243 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816462730 WGEKBJKQDPJOLF-RXVVDRJESA-N 452.599 5.683 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)ccc2n1 1818675163 NWQPEDMMFPTIHZ-QHCPKHFHSA-N 498.974 5.411 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1 1818808393 XNIKGSNLDLGUSP-RZUBCFFCSA-N 499.656 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1819308951 JAEDQOMYLCMEGJ-RDPSFJRHSA-N 497.599 6.225 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)n[nH]2)C1 1820120045 ZNTXMATVPJYFHL-RUZDIDTESA-N 492.583 5.292 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1cccc(C(F)(F)F)c1F 1821088659 FCHISPRJLYEOLF-CQSZACIVSA-N 480.384 5.216 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3)[nH]n2)cc1 1821179498 GHBBSKARCNMERW-OAQYLSRUSA-N 499.468 5.253 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)[nH]n2)c(Cl)c1 1821277121 GYVWUJVFBRRQTH-NRFANRHFSA-N 473.920 5.301 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)[nH]n2)c(Cl)c1 1821278802 VGHJLXOAGQBKIN-XMMPIXPASA-N 487.991 5.046 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)n[nH]1 1821349884 YOULUPATXNCNGG-HSZRJFAPSA-N 493.558 5.206 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(Cl)cc3Cl)n[nH]2)CCC1 1821861883 VEANSZODGCEFQR-LJQANCHMSA-N 474.392 5.035 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)n[nH]1)C(F)(F)F 1822288320 JEAFISBLNKDUAE-QUCCMNQESA-N 466.479 5.099 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[nH]n1 1822389779 VGCQTVOCAVNVKJ-DEOSSOPVSA-N 480.572 5.062 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823211442 MKSHDOZKMVRKIL-CJFMBICVSA-N 469.589 5.284 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)cc2c1 1823214141 AJDSCIILFYCSFZ-UZUQRXQVSA-N 497.555 5.411 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823685736 FPZBTIKZDKLBBA-SKCUWOTOSA-N 482.628 5.051 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1823750707 FLUAUOKRRTYLPM-QHCPKHFHSA-N 493.614 5.645 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 1824137740 NZQLTMMGRGEGPT-RRPNLBNLSA-N 464.650 5.079 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824500589 KYAZRAYRUVPDKA-SANMLTNESA-N 488.628 5.802 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1824541521 DKAGMXBSFZGBHR-PKTZIBPZSA-N 474.070 5.076 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ncccc2C)CC1)c1ccccc1 1825116602 XGGBYRPDRMSTHK-LMSSTIIKSA-N 485.672 5.140 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1826690231 QSDXMOUEAFAECN-HSZRJFAPSA-N 480.996 5.064 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827331330 GSGMTFAXLPNVNO-VWLOTQADSA-N 477.674 5.210 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)ccc2c1 1828087593 RFKDCQDOIJXKSI-MUUNZHRXSA-N 480.612 5.156 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)CC2)c1 1828335775 XJCNINQJQZYRBW-WZONZLPQSA-N 474.630 5.404 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1828498127 IDGVMWZCQQCAOT-AREMUKBSSA-N 499.659 5.331 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828581152 NIFYMQVDWUCYSU-VWLOTQADSA-N 465.638 5.402 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1828904841 AVKDLHZTCKTLII-OAQYLSRUSA-N 496.646 5.583 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3nccnc3c2)CC1)c1ccccc1 1829032150 JTINQFOVNVOLHG-UHSQPCAPSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cnccc3nc2C)CC1 1829066821 VFKPTBIVSVGEJE-VWLOTQADSA-N 462.638 5.164 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c1Cl 1829689827 RVBDKAVCYZDFRW-QHCPKHFHSA-N 493.032 5.368 30 20 JKED COc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1829908878 IGIDCVFGPGNQNK-HSZRJFAPSA-N 499.533 5.133 30 20 JKED C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1830795379 OSNWPGYFMXQSTB-AREMUKBSSA-N 466.581 5.499 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sccc3c2O)CC1 1830958642 GOLNZCDYXJBDMY-QFIPXVFZSA-N 452.620 5.034 30 20 JKED CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1831471755 NVEMHBVDOTUFRP-BURLSREDSA-N 458.668 5.323 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)c(F)c3)CC2)cc1 1832732927 YSMFLWBLPZHYQB-SANMLTNESA-N 489.591 5.033 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)CC1 1838375119 YGGTZLGZZYQJPE-FXSPECFOSA-N 458.687 5.216 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)C1 1845280035 JGLPSZCUHHYZOB-RPBOFIJWSA-N 464.556 5.470 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1 9073543 GBJKLPBYCHUAOO-UHFFFAOYSA-N 471.365 5.953 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10172693 AKHICQYKQXDAIN-UHFFFAOYSA-O 479.669 6.795 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2)cc1Cl 11022377 HFUIFNHPUUNVQD-MRXNPFEDSA-N 489.988 5.587 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1cccc(Br)c1 14872547 HVJDGYFFGBQOTP-UHFFFAOYSA-O 496.328 5.686 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1-c1cccnc1 18404927 BLWKMGAIWAYVHO-JOCHJYFZSA-N 486.557 5.215 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2scc(-c3ccccc3)c2c1=O 20047505 NUCHSAIKVNBRJF-UHFFFAOYSA-N 472.595 5.108 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 21742083 VUKYHHGMUGSWBA-RUZDIDTESA-N 459.546 5.899 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccccc1SC 22082712 STPJLJMLSGBOTG-OAHLLOKOSA-N 458.584 5.023 30 20 JKED C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)N(CCC#N)c1ccc(F)cc1 22929624 ZXBLGYBCRCIZMK-QGZVFWFLSA-N 457.461 5.126 30 20 JKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1 23419426 AXJOBDDYNKLKQS-SFHVURJKSA-N 472.655 5.373 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1nc(-c2ccccc2)cs1 26023172 QWHUYVWTXSCFCP-NRFANRHFSA-N 494.605 5.421 30 20 JKED CC(C)c1ccc(CSc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 26093276 PWPOSXIYAZBRIF-SFHVURJKSA-N 482.700 6.381 30 20 JKED N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 40162363 VQTGVHQCODRNET-QGZVFWFLSA-N 457.580 5.181 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 72023562 JWPYBNBBMSGPBF-UHFFFAOYSA-N 496.554 6.206 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)cc1 104860934 ZCSYFJYBVVLFKF-UHFFFAOYSA-N 498.004 5.124 30 20 JKED Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 107647692 XTOQPROEABVAPZ-JOCHJYFZSA-N 452.963 5.106 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)cs1)c1ccc(F)cc1F 211968573 UBGUFEYRQPYCTD-YFHOEESVSA-N 485.531 6.131 30 20 JKED O=C(Nc1ccc(F)cn1)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 484269723 ZKMMFJRPGKGEIQ-UHFFFAOYSA-N 458.337 5.185 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 490745003 JCCOYIADCRTUHH-QHCPKHFHSA-N 453.970 5.316 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2ccc(Br)cc2)n(Cc2ccco2)c1C 497687209 RFKGEVIFWRDUDJ-UHFFFAOYSA-N 458.381 5.501 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2ccccn2)nnc1-c1ccc(Cl)cc1 498336140 PWJOBPWXPGJKEF-HSZRJFAPSA-N 476.005 5.177 30 20 JKED C=CCn1c(SCC(=O)NCc2ccccc2CN2CCCCC2)nnc1-c1ccc(Cl)cc1 498365625 TVRKVNJSFIDESL-UHFFFAOYSA-N 496.080 5.179 30 20 JKED N#CCCCOc1cccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1 499727034 PJGKKILVWICZIO-UHFFFAOYSA-N 455.440 5.098 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(OC)ccc1OC(F)F 502676214 BEMSRCVCKUWPND-UHFFFAOYSA-N 459.262 5.418 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1cccs1)Cc1cccs1 503160401 NPWYDXUMKUNLBR-UHFFFAOYSA-N 491.432 5.450 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1 507839578 BYOQIIBRTMURHA-OAHLLOKOSA-N 453.445 5.400 30 20 JKED N#Cc1c(NC(=O)CCc2nnc(-c3cc(F)ccc3Br)o2)sc2c1CCCCC2 508869988 JUTZKQNJSSSZDH-UHFFFAOYSA-N 489.370 5.412 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)[C@@H](C)c1ccc(C#N)cc1 509605635 PWGDHSOECTXUPI-SFHVURJKSA-N 465.550 5.030 30 20 JKED CC(C)c1ccc(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c(C(C)C)c1 510585589 VIDIITADIRAMPQ-UHFFFAOYSA-N 462.573 5.466 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C 510633369 KKMCKXUBDKYMBV-UHFFFAOYSA-N 492.583 5.585 30 20 JKED CCCOc1ccc(Oc2ncccc2CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 511056452 MWQTVCIZRCMKTQ-UHFFFAOYSA-N 491.491 5.032 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)Nc4cccc(C(=O)Nc5cccc(C#N)c5)c4)CC3)c[nH]c2c1 511504506 KOZGTUWYEULYGA-UHFFFAOYSA-N 475.552 5.922 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513938181 PFFPSUNNNMTGFI-UHFFFAOYSA-N 458.537 5.414 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)c2)c1 516418669 XNTHQOJNMCMOQD-UHFFFAOYSA-N 493.485 5.286 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3CCN(c4cccc(Br)c4)C3)s2)cc1 517753098 HQYSUZVEUTVZOI-SFHVURJKSA-N 496.434 5.016 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 518754384 IUHVFQOBCQYRHH-NVXWUHKLSA-N 459.413 5.244 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3cccc(Br)c3)C3CC3)cc2)cc1 520910421 NZKALMSIQVTUEJ-UHFFFAOYSA-N 490.357 5.243 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)c2)c1 520946064 HWNXLLPEIKKFTR-JOCHJYFZSA-N 477.973 5.082 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 521073106 PODWVRICGHXWMV-UHFFFAOYSA-N 450.489 5.224 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(F)c2C(=O)OC)nnc1-c1ccc(Cl)cc1Cl 521236146 QIIWEUHVVRKVRZ-UHFFFAOYSA-N 495.363 5.094 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)c(C)c1 521326253 YBAIINTXDZXTQT-UHFFFAOYSA-N 468.601 5.433 30 20 JKED COc1ccc(Sc2ccc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2Cl)cc1 521368216 UNXMCMXIJLEJOF-UHFFFAOYSA-N 479.993 5.121 30 20 JKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 521731414 WNIFLIYBSLOPBN-ZIAGYGMSSA-N 458.559 5.779 30 20 JKED CN(CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1)Cc1cccc(C#N)c1 559156617 JBBJIGGEUXWBLI-UHFFFAOYSA-N 470.573 5.486 30 20 JKED Cc1nc(C)c(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)s1 600866350 LXXZRHRMGTTWRK-UHFFFAOYSA-N 470.624 5.336 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c2C#N)C1 602756561 VFHZXTABMWDMJJ-GFCCVEGCSA-N 482.959 5.667 30 20 JKED Cc1nn(Cc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)c(C)c1[N+](=O)[O-] 603846322 OPRFDGWMKYVTJD-KRWDZBQOSA-N 499.474 5.575 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 604101058 ZJUOHTFNYHFGLY-UHFFFAOYSA-N 484.537 5.107 30 20 JKED CCn1c(SCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)nnc1-c1ccccc1C 609028507 ALBVXPAWYBPDKD-VWLOTQADSA-N 497.624 5.326 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(COc3ccc(C#N)cc3)o1)CC2 609054901 IXRYKCLAPQATDJ-LJAQVGFWSA-N 494.547 5.535 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(-c4nnc5n4CCCCC5)ccc3Cl)o2)cc1 609055683 PAMGOQLCZFDALN-UHFFFAOYSA-N 487.947 5.621 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 609061013 HPLBHXOQTANCEO-NRFANRHFSA-N 494.517 5.715 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 609061915 KBDTZCZTSBSHKI-UHFFFAOYSA-N 459.933 5.478 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609062559 BKBIXFJEZNANFY-UHFFFAOYSA-N 479.989 5.410 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC(OC4CCCCC4)CC3)cc2Cl)c1 609089138 PKKWRMWPNNIFAJ-UHFFFAOYSA-N 496.007 5.069 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1Cl 609370580 FWWBDUCGJXNGNP-OAHLLOKOSA-N 458.012 5.354 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 609377955 SFAJMCVEKJEUJE-UZUQRXQVSA-N 457.555 5.133 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)cc2)c1 609427041 LBYDXHJPRVOAME-UHFFFAOYSA-N 467.382 5.341 30 20 JKED N#C[C@H](C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1 612894858 RZXOLKULHOPXMF-JOCHJYFZSA-N 496.979 5.712 30 20 JKED COc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346987 UMEUXXGZVCVSNY-INIZCTEOSA-N 469.353 5.801 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)n2)cc1 619756524 SAUPIASTFLDQBO-QHCPKHFHSA-N 469.953 6.404 30 20 JKED O=C(NCc1ccc(OCc2cccc(F)c2)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642767435 JPZRQZWTYHGZRD-IRXDYDNUSA-N 492.435 6.113 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1 725884811 QNXWFAXXHHLALX-RRPNLBNLSA-N 475.548 5.444 30 20 JKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)ccc1-c1ccc(Br)cc1 726319159 AAWAHRKFLGHXLT-KRWDZBQOSA-N 456.727 5.069 30 20 JKED CC[C@H](C)C(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 726321342 GDVPAQDDZMBSET-GRDNDAEWSA-N 464.418 5.578 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/[C@@H](C)c1cccs1 726419070 CAOAZOZXOQPMFB-LRPJYJENSA-N 468.431 5.631 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=S)Nc1ccc(C#N)c(Cl)c1 726442385 ALEHXTJEFWSHFD-UHFFFAOYSA-N 472.035 6.080 30 20 JKED CC(C)Oc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccccc2)cc1 726573634 NSARAJKXOROAIX-UHFFFAOYSA-O 490.649 5.881 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc(Cc2ccc(F)cc2)s1 727233296 MVCFTEQRSAAQGE-FQEVSTJZSA-N 471.513 5.626 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)o1 727764410 YYUKXGZFNWIZPG-VWLOTQADSA-N 452.510 5.649 30 20 JKED N#Cc1cccc(COc2ccc(NCc3nnnn3-c3ccc(C(F)(F)F)cc3)cc2Cl)c1 728051683 BSMMSIWNVOKWLR-UHFFFAOYSA-N 484.869 5.397 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 728776674 SJIIPSVCDGCHAS-LJQANCHMSA-N 488.585 5.655 30 20 JKED CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728902818 AYFRNKMEBQGHIO-UHFFFAOYSA-N 453.999 5.127 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)c1 729144744 DXQUVRFGVYIHIT-NRFANRHFSA-N 489.626 5.101 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729571821 MMCAUXAVJZQIEA-SQJMNOBHSA-N 490.604 5.994 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730709240 QGOSTXJTDOWEEP-QFIPXVFZSA-N 474.517 5.127 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 730919324 BVOKFTAIXSHUQX-DFBJGRDBSA-N 474.582 5.135 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@@H](C)c2cccnc2)C1=O 730945118 NBLZDURISMCFEG-UWJYYQICSA-N 452.624 5.157 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2CCC(c3ccccc3)CC2)cc1 731133127 WKMHJVUMUCPERK-ZKPZBSICSA-N 451.570 5.371 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccc2F)C1=O)Nc1cccc(O)c1 731307581 UMEYKJRJXVSMAB-OAQYLSRUSA-N 483.952 5.345 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 731400758 TUWMGIWTAMMQMV-HNAYVOBHSA-N 460.397 5.449 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1F 743524580 KYULBEKOTWRGCT-SFHVURJKSA-N 494.361 5.142 30 20 JKED C=CCOc1c(Br)cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1OCC 745627126 YFQULPXIJZMYLJ-CMDGGOBGSA-N 472.335 5.265 30 20 JKED COc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccc(C)s4)csc3n2)cc1OCCCC#N 747361108 BURXAPJDICHZRR-BOPFTXTBSA-N 498.029 6.862 30 20 JKED CCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1c(Cl)cccc1Cl 749047780 HWNCTUBMXZFFPZ-LLVKDONJSA-N 497.169 5.404 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)nnc1-c1ccccc1OC 799101006 SEOQMWOJBPWULE-UHFFFAOYSA-N 490.604 5.720 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CC(F)(F)F 799213287 RYBXODIFCSVQGK-MRXNPFEDSA-N 491.869 5.449 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CC(F)(F)F)C2=O)cc1 799214705 NWDBSSOWIYKYLW-INIZCTEOSA-N 473.879 5.310 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 809783213 VLIXZVCZBOULNH-UHFFFAOYSA-N 450.882 5.415 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(NN=Cc2c(Cl)ccc(Cl)c2Cl)c([N+](=O)[O-])c1 818203180 WQWYMSJIAALLDT-UHFFFAOYSA-N 479.773 5.032 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837837525 PXUYFRXIHATCTD-VGSWGCGISA-N 462.550 5.251 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1cccc(C)c1 912771797 NLCBULWIPCILEI-DEOSSOPVSA-N 489.597 5.173 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnc1-c1ccc(Cl)cc1 915087026 PESGHGYCNBYMLM-QHCPKHFHSA-N 488.016 6.005 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101216 DIVLKKLYPZDBMW-CTNGQTDRSA-N 479.989 5.343 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104488 CKABIEVBTRFGDD-YLJYHZDGSA-N 498.530 5.356 30 20 JKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 916846739 DGVBHCBBOJIPBP-KRWDZBQOSA-N 476.583 5.040 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)[C@H](C)Oc1ccc(C#N)cc1 916878052 KYFLFMKRWKEVLT-IBGZPJMESA-N 480.520 5.654 30 20 JKED N#C[C@@H](C(=O)COc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 916911192 WGRVNGHJTJVNPX-INIZCTEOSA-N 455.297 5.512 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 916930859 LEIUIOBTCQRRIC-QHCPKHFHSA-N 456.542 5.533 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 916933938 KLIVIMOAKCCOFG-OAHLLOKOSA-N 455.333 5.147 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916945264 UIPAZFVTGJMWFZ-VXKWHMMOSA-N 479.319 5.409 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Cl)cc1 916997884 ZQGXJLYYHHQIBW-PKOBYXMFSA-N 492.815 6.214 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)c1 917427266 ATJZNVYPABGTMR-RXVVDRJESA-N 479.005 5.892 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@@H]2c2cccc(F)c2)c1=S 917486647 LZQWOIHGEUBVHJ-KNQAVFIVSA-N 452.555 5.046 30 20 JKED C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cc1OC 917517544 HJVDQVVUXCRMKT-YHYXMXQVSA-N 483.362 5.231 30 20 JKED C=C(Br)COC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 918899134 BJBHREOLROTCQD-LBPRGKRZSA-N 465.394 5.137 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 919883439 DQDPERDMGOTQDP-INIZCTEOSA-N 454.646 5.577 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 920108952 BOZJOEPUGSUZIG-WBMJQRKESA-N 492.359 5.757 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 920113618 IIBSOBVZDLUVEI-DNVCBOLYSA-N 480.014 6.617 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Sc3ccc(NC(C)=O)cc3)n2)cc1 920138689 HPBDFKGMEQBMEA-VLIAUNLRSA-N 451.573 5.134 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 920142504 KOLUUPKBASGJHW-YWZLYKJASA-N 469.975 5.151 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)OC(=O)c4ccccc4OCC#N)cc3)sc2c1 920633169 INFAQXAUSNAAAH-KRWDZBQOSA-N 471.538 5.358 30 20 JKED N#C[C@@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 920806001 HTLASRHDMCRJOM-AWEZNQCLSA-N 471.485 5.753 30 20 JKED CSc1nc(O)c(C(=O)Nc2cccc(C3CCN(Cc4ccccc4)CC3)c2)cc1C#N 1598354619 NDVZLPDIOQXIIW-UHFFFAOYSA-N 458.587 5.013 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)C3)CC1 1781911677 BPPWPDXWBLZWOK-PAHOUZJPSA-N 488.789 5.158 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)c(F)c1 1786041616 OMMXAAJPWRWRMI-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3nc(C)oc3C(F)(F)F)CCC2)cc1 1786103743 WVRWLDDDDRETDQ-UHFFFAOYSA-N 461.484 5.518 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C[C@H]4OCCc5ccccc54)cc3)CCC2)c1 1786314797 YMDWMTZNGHFWTB-AREMUKBSSA-N 483.543 5.149 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cncn3-c3ccncc3)cc2)CCC1 1787156584 TWOONJQIEBCLND-UHFFFAOYSA-N 457.578 5.007 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C4(C(F)(F)F)CCC4)cc3)CCC2)c1 1787936934 IPGXOZJWYRYGNC-UHFFFAOYSA-N 459.443 5.178 30 20 JKED C[C@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)nc3C(F)(F)F)cc2)CCC1 1788358970 OFRHPTJHZKJDOA-MRXNPFEDSA-N 496.489 5.192 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3csc(-c4cccnc4)n3)cc2)CCC1 1788674839 OLEVTXPDQJTTHO-QFIPXVFZSA-N 472.614 5.721 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789155204 ZXACWLFWEUBRTK-DHIUTWEWSA-N 480.992 5.087 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)s4)cc3)CCC2)cc1 1789860929 NAJFPBIZTGDIDL-UHFFFAOYSA-N 464.978 5.049 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)C[C@@H]5C[C@@H]6CC[C@H]5C6)CCC4)cc3)c2c1 1790836414 GAHKOHYNFAEMHP-HOJAQTOUSA-N 467.573 5.009 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4cccc(Br)c4n3)CCC2)cc1 1791254752 XBSZRTZKQOVVOU-INIZCTEOSA-N 481.394 5.057 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3nn(CC)c4ccccc34)CCC2)cc1 1791299693 ZHLABPJKAAKKKS-UHFFFAOYSA-N 452.505 5.015 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCc3cncc(C(F)(F)F)c3)cc2)CCC1 1791772220 OJPUWPKDDKLCDM-UHFFFAOYSA-N 477.552 5.086 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)no1 1792122196 FNRWVKAPFAPODF-GOSISDBHSA-N 456.546 5.487 30 20 JKED Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)n1 1792122464 ASPNTNFTRXIMSF-FQEVSTJZSA-N 466.585 5.398 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)c4ccco4)CCC3)cc2)c1 1792126813 MJYLJYIJERLTLA-KRWDZBQOSA-N 463.484 5.446 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccnc4)CCC3)cc2)cc1C#N 1792168284 IXVDCCOVTPMPPO-UHFFFAOYSA-N 482.584 5.121 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3cccc(Cl)c13)C2)c1ccccc1 1798554731 WCSPWCNMWXPDFF-LRSLUSHPSA-N 474.004 5.270 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Br)cc3)CCCC1)C2 1801638111 FFSCZFYQYPKKBH-HLRQEUIKSA-N 473.455 5.111 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc(CC)cc1)C2 1801639885 WIRVABWVOVOMQI-BNFFBFCJSA-N 497.680 5.055 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1802500627 NNVUDJCNGWNAHF-AHKZPQOWSA-N 488.676 5.384 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)cccc1C(F)(F)F 1803839713 AAIYOZWDHQXULM-HUJKARHJSA-N 469.507 5.207 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(C)ccc4NC(=O)OC(C)(C)C)CC3)C2)C1 1804785462 FVMRUBNLWXFJSJ-UHFFFAOYSA-N 481.637 5.153 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc(C(C)(C)C)oc3C)[C@H]2c2cccnc2)c1 1805685372 YCYDWKHFQVTUPO-ATIYNZHBSA-N 484.600 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1805697230 JOFAYBQDYIETPG-QUCCMNQESA-N 477.527 5.314 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1808488121 SILBPFJYZYFJGT-LVXARBLLSA-N 475.976 5.118 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1809473025 MBAZYPPCSTVYSZ-FTBPSBKWSA-N 478.036 5.241 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810401515 WFYZRKNPUYEWHQ-UHFFFAOYSA-N 493.651 5.940 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810430949 MSSRKUVJGGEGGS-NVQXNPDNSA-N 493.623 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1810491590 DYLQMJCSNKTRLP-GJZUVCINSA-N 498.067 5.592 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)cc1 1811365084 NOWRMPXFDOGZQF-URXFXBBRSA-N 493.394 5.088 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1811466172 IITQHJUWLKMXFE-IFXJQAMLSA-N 486.321 5.059 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c(Cl)c1 1811745892 OTJIGMRIZRDYSB-WXVAWEFUSA-N 494.982 5.393 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c(Cl)c1 1811748861 DQHAEMMDTLOXGK-BVAGGSTKSA-N 484.987 5.117 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@H]2c2cccnc2)cc1 1811897829 XWVCFISLXJGYDK-VMPREFPWSA-N 486.575 5.254 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1812126770 JDGUIEFNECXPOR-YKSBVNFPSA-N 462.619 5.021 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812590788 ONGFHATWSPCBBO-HEKZAOSPSA-N 467.569 5.513 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1812671692 GJTYHMKURSEDGV-RDGATRHJSA-N 491.538 5.405 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccccc4)CCC3)[C@@H]2c2cccnc2)c(Cl)c1 1812990070 BZCHKCBKSBEZTB-GJZUVCINSA-N 499.014 5.048 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc(C)cc3)[nH]n2)C1 1814393987 UHSGBSCRUQRANF-HSZRJFAPSA-N 455.562 5.052 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4occc4n3-c3ccccc3)[nH]n2)C1 1814397312 WISBURDGIOTRIA-OAQYLSRUSA-N 469.545 5.219 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1)c1ccccc1 1814931849 QWUSFPNMZJOGIB-NOZRDPDXSA-N 473.552 5.166 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814935033 DNGDGIJWYQJGSW-METAZSIFSA-N 475.058 5.348 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c(O)n1 1816241287 BJVYPFZHSGBVAX-HXUWFJFHSA-N 497.958 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1 1817588829 AGXMHMSVLXHLAM-YKSBVNFPSA-N 459.594 5.284 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc(-c3ccccc3)ns2)n[nH]1 1817675125 PZTVFLZOOLNRNA-HXUWFJFHSA-N 476.606 5.003 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)oc2ccccc12 1818569910 QJRQGUKUKXMYHL-NRFANRHFSA-N 471.492 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)[nH]n1 1819306980 KWBMEZDIVYLKGM-TVTNDZMWSA-N 452.521 5.088 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccccc1 1819516300 KUYATGZABFBQCF-CTNGQTDRSA-N 474.527 5.332 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n[nH]1 1819742409 XBDVLGPWMYOGPR-QAPCUYQASA-N 462.381 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(Cl)n2)n[nH]1 1819969800 ZVCGLJBHZWLQNN-QGZVFWFLSA-N 464.397 5.410 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2F)n[nH]1 1820619204 QVEJTYHXWGKNDO-FQEVSTJZSA-N 472.612 5.045 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(Cl)c3)n[nH]2)C1 1821024993 BRPRRVQGMXPVFQ-HXUWFJFHSA-N 456.974 5.122 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)ccc(Br)c2C)n[nH]1 1821335129 FGLZYPVBXUPBCB-IBGZPJMESA-N 489.389 5.119 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1821986111 IIPHUWFIQOIXHF-KRWDZBQOSA-N 461.900 5.062 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4cccc(Cl)c4)CCCC3)n[nH]2)CCC1 1822314697 FDUXFWUKOAPTHH-OAQYLSRUSA-N 480.012 5.261 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1)[C@H]1C[C@@]1(F)Cl 1822507262 ZHIFGTZYJCIEEX-ZYVVXELTSA-N 490.966 5.040 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4cnccc4c3)[nH]n2)c1 1823215487 SUXBNLBXFGYIOH-CJAUYULYSA-N 478.556 5.205 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823303582 UOMZNWMLPDPOAG-IBGZPJMESA-N 483.371 5.144 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823312149 FPXNBFIRQVGZPU-FUHWJXTLSA-N 499.862 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1823752949 RRTZRIIZZCRECL-DEOSSOPVSA-N 483.056 5.509 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CC(=C)C)CC1 1824761585 AHEDKNROJPABLI-DHIUTWEWSA-N 489.701 5.068 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1826690096 MHOANLAHTVUMHE-HSZRJFAPSA-N 498.549 5.304 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827362803 KVIPKBLSQRGMHX-HHHXNRCGSA-N 467.613 5.711 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)CC1 1827414830 PGIXZKNTHTZTIV-KRWDZBQOSA-N 467.607 5.111 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)CC1 1827416264 JGEZYASEFSJCRL-HSZRJFAPSA-N 495.696 5.219 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1827516069 NIYHQWXXBXBZTN-QFIPXVFZSA-N 474.592 5.235 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1)c1cccs1 1827682771 LDBGYENRZHTWPX-XMLSASNKSA-N 496.595 5.024 30 20 JKED Cn1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc2ccccc21 1827994437 FZQWWUWBHLSNFH-DEOSSOPVSA-N 489.019 5.250 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c1 1828190689 LZZZPAHSKPBMAO-DEOSSOPVSA-N 455.558 5.160 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)C1 1828509120 WLJQHFIZAYTDAU-QHCPKHFHSA-N 473.539 5.386 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1)c1ccccc1 1828653359 WSXCEMHVBJDEIA-DGPALRBDSA-N 493.651 5.665 30 20 JKED COc1ccc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828906948 RAKGIMGNFHHGGT-SANMLTNESA-N 482.741 5.288 30 20 JKED O=C(c1ccc2occ(Cl)c2c1)N1CCC([C@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828949535 ZWPBTPCNKDKJFB-XMMPIXPASA-N 497.035 5.018 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828998842 LJTWTZIRQFEPAT-YJGSSNSBSA-N 490.431 5.247 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2OCC2CC2)CC1 1829066179 SJVUCJXERBWPNJ-XMMPIXPASA-N 467.654 5.096 30 20 JKED COc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)S)CC2)cc2ccccc2c1Cl 1829707767 MUOHXRMDLOTETR-KKSFZXQISA-N 475.054 5.053 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1830591512 YKSMIYKLRIALHA-NDEPHWFRSA-N 484.644 5.096 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)CC2)cc1 1830633073 FZUYZRGBQBLHJL-HHHXNRCGSA-N 496.611 5.079 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830717266 SDWCPTOTYXTFGE-AREMUKBSSA-N 477.580 5.033 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1831446626 CXXBCJONCOHQMY-LJQANCHMSA-N 498.496 5.312 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1832628878 FQHIADQQHSCGNL-MZWYABKVSA-N 491.582 5.539 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)c1 1832634051 RFUGDXBYSSHWOW-NSYGIPOTSA-N 483.534 5.278 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1832933920 JYMQDSPFBICVFT-QPTUXGOLSA-N 491.717 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CC1 1835684135 KCFRPMQUBJLHGA-LJQANCHMSA-N 496.454 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 1835815808 DEZLBKLGJOOFAP-UHFFFAOYSA-N 486.509 5.233 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)CC1 1838373328 IZAJXOJLWRUXTG-NDEPHWFRSA-N 487.644 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)CC1 1838424036 FUGDMFDOPYFUOV-UHFFFAOYSA-N 498.561 5.449 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc(Br)c3ccccc3c2)C1 1843314412 NSUWZLWIQOAVPY-UHFFFAOYSA-N 467.407 5.188 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3sc4ccccc4c3Cl)C2)c1Cl 1843710557 IMNAPNLVNUIHKX-UHFFFAOYSA-N 470.381 5.211 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC4(CCCN4C(=O)c4cccc([C@H](C)C#N)c4)C3)ccc21 1846828662 NAGLVPNKCNDXEB-OAQYLSRUSA-N 490.607 5.572 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 10168246 XTXBEYSBNWQMSE-UHFFFAOYSA-O 451.681 6.618 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1 10173835 KFFXVRZRCOFNSG-UHFFFAOYSA-O 467.561 5.581 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1C#N 10711274 KWKVNNFYFWLVQM-SNVBAGLBSA-N 450.347 5.043 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1cccc2ccccc12 11125727 ODFVYYSKFDDMIT-UHFFFAOYSA-O 490.446 6.503 30 20 JKED C=CCN(C(=O)c1cc(OC)ccc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724106 OTDFMAPBUATQCW-UHFFFAOYSA-N 474.336 5.322 30 20 JKED N#CCC[C@@H](C#N)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F 15237280 XHODCKCOZDLHOI-AWEZNQCLSA-N 461.900 6.142 30 20 JKED CC(C)n1c(SC[C@@H](O)COc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 15244595 NWOGSEAMNWWEGB-INIZCTEOSA-N 463.390 5.236 30 20 JKED C=CCN(C(=O)c1ccc(Br)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 15606856 BSAMNNGQLBUZQO-UHFFFAOYSA-N 462.300 5.453 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(OC)cc3)no2)nnc1-c1ccc(Br)cc1 21339566 KGRLDDJDJNIGJV-UHFFFAOYSA-N 484.379 5.245 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nc2cc(Cl)ccc2c1=O 21831976 SLNNEBVFMFPSPT-KBXCAEBGSA-N 460.024 5.142 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2)ccc1Cl 23243551 FBCSFOUSRFDPEU-UHFFFAOYSA-N 458.942 5.137 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 23602755 IXALFMAKDKBYKH-JOCHJYFZSA-N 496.640 5.433 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)CCOc2cccc(C)c2)c1 24500796 RHUNNIIWXYMNNC-UHFFFAOYSA-N 499.032 5.181 30 20 JKED COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 26036548 YPXMJJGABBOYKN-UHFFFAOYSA-N 487.581 5.257 30 20 JKED N#C[C@@H](C(=O)CSc1nccn1-c1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 43751191 DHSRTLCWUXFXPC-SFHVURJKSA-N 495.427 5.727 30 20 JKED C=CCN(C(=O)CCc1c(C)nc2ncnn2c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 69894729 QRXIXOJWFGNQBN-UHFFFAOYSA-N 487.416 5.323 30 20 JKED COc1cc(/C=C/C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)ccc1OCc1c(C)noc1C 97554173 RMILXIHEFIWGHC-MFUYTVRRSA-N 486.355 5.580 30 20 JKED COc1cc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 107646900 HHPANGIFWMAEHA-HXUWFJFHSA-N 450.922 5.202 30 20 JKED COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C#N)cc(OC)c1OC 207161858 PLQVSWQZICZCNJ-JIHKLPAASA-N 458.514 5.206 30 20 JKED CCN(C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)[C@H](C)c1ccc(C#N)cc1 302963460 PIANZBIGILRTOY-KBMIEXCESA-N 456.546 5.060 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 303036994 VIRQWYMXNXLBRJ-UHFFFAOYSA-N 455.543 5.279 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)ccc21 303131792 BIWCVPWSQQIYGD-UHFFFAOYSA-N 477.615 5.172 30 20 JKED Cc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(-c2nc3ccccc3[nH]2)c1 409614433 UYEICHOVCGEXRK-UHFFFAOYSA-N 492.539 5.513 30 20 JKED N#Cc1ccc(N2C(=O)C[C@H](Nc3ccccc3OCc3ncc(-c4cccc(Cl)c4)o3)C2=O)cc1 477032819 KSWAHOBKHRVHMX-QFIPXVFZSA-N 498.926 5.190 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 480805719 LIHXXNZJJKLXHA-CLOONOSVSA-N 456.546 5.483 30 20 JKED N#Cc1cc(NC(=O)C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)ccc1F 481162631 LNUNKXCOWYCKOS-UHFFFAOYSA-N 471.410 5.106 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481296248 QAEQNBWYFPFDJW-MRXNPFEDSA-N 499.464 5.453 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 483355969 SFKHJGIMDYHQSG-UHFFFAOYSA-N 466.438 5.608 30 20 JKED C=CCN(C(=O)Cc1csc(-c2ccc(C)cc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 499136118 MPHKAHREFXUCFD-UHFFFAOYSA-N 476.583 5.912 30 20 JKED CCCc1nc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)nn1-c1ccccc1Cl 499387375 ABLHGPIVEIPWBW-UHFFFAOYSA-N 472.936 5.493 30 20 JKED O=C(C[S@@](=O)Cc1ccccc1C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 501180643 HUJLCTMWBOLSRS-HKBQPEDESA-N 477.348 5.630 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 506996777 JHZPFRXLZMGELT-UHFFFAOYSA-N 475.386 5.466 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 507310176 SWCPJJJPQKDHSQ-ZDUSSCGKSA-N 451.495 5.049 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 508304674 VKQRUGRVINSDGV-UHFFFAOYSA-N 452.514 6.102 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1Cl 508364499 ZANJBIYOIRTMCM-DEOSSOPVSA-N 490.966 6.017 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)N(C)C)c1 510023825 PEOSQMVVWSMJQD-ILBGXUMGSA-N 462.981 5.428 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 510858189 WZQJNQNWEKAJKS-UHFFFAOYSA-N 451.530 5.947 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1OC(F)F 517851209 YTEVRMRBXYPTJM-FQEVSTJZSA-N 465.456 5.158 30 20 JKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 517961227 IYXIMXUPTWFGJR-UHFFFAOYSA-N 486.626 5.813 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccccc2Oc2cccc(F)c2)nn(-c2ccccc2)c1N 518170718 AKFWFRBCKQIVCA-UHFFFAOYSA-N 470.508 5.012 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)c4ccccc4SCc4ccc(C#N)cc4)CC3)c2c1 518810829 CBYVFBQRZWWNNE-UHFFFAOYSA-N 481.621 6.360 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 520835752 VJDTVALTEIGDDA-OAHLLOKOSA-N 475.957 5.645 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 521260158 XRRDXEAGZMVNJV-OXJNMPFZSA-N 490.551 5.442 30 20 JKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc2cc(Cl)ccc2s1 523229716 YCTCKPRLYYRERZ-HNNXBMFYSA-N 476.970 6.268 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F 523617578 RVGCICMXQBXGNE-UHFFFAOYSA-N 471.511 5.243 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccccc4Cl)n3)n2)cc1 524242980 NNUFAMKJOWFKIC-MRXNPFEDSA-N 451.960 6.086 30 20 JKED COc1ccc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c(C)nc2c1 524276013 KYHXSEADFHBYCC-UHFFFAOYSA-N 482.487 5.742 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 524276558 WYQRKDAYBHPERR-NRFANRHFSA-N 494.041 5.909 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)cc2F)c1 524461379 WLEWLHKUMJYJQB-UHFFFAOYSA-N 471.532 5.335 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC 561569394 OHYKYXSGZZGCBK-UHFFFAOYSA-N 478.552 5.257 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 588250287 YMKPDLNXVYIRAI-NRFANRHFSA-N 489.551 5.101 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](CCC)c2ccccn2)c1 591228980 NAUHUCJEDMOFJT-QHCPKHFHSA-N 484.021 5.388 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 603601254 UOKIMNIZKWUTBP-UHFFFAOYSA-N 494.498 6.757 30 20 JKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 603646562 BYXODGVAJZNFAA-UHFFFAOYSA-N 460.500 5.106 30 20 JKED Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 603658032 GFVAVWIUIDCLSG-UHFFFAOYSA-N 470.621 5.090 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 603702689 LROCAUHEUPGFER-XMMPIXPASA-N 482.927 5.243 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1Cl 603765914 DAULSGAJHWSEIN-LJQANCHMSA-N 462.962 6.068 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 604466482 MHYLCIPVZWKIFZ-OAQYLSRUSA-N 462.018 5.760 30 20 JKED CCN(CC)[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccccc1Cl 608802393 AZLPNUOGHRPOLG-QHCPKHFHSA-N 451.954 5.197 30 20 JKED Cc1sc2nc(SC[C@H](C#N)CCC#N)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 608855528 HTNJVXQMLZINGD-KRWDZBQOSA-N 474.586 6.097 30 20 JKED Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609058070 FYAAWICMXGTVPV-UHFFFAOYSA-N 457.530 5.354 30 20 JKED N#CCn1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc2ccccc21 609164966 LELJOGYGKYYQQS-UHFFFAOYSA-N 465.460 5.355 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 609384689 HWFNQOTXVCUEGO-APWZRJJASA-N 450.589 5.383 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc2c(s1)CCCC2 614519242 DZDPKNXMZUCSCB-UHFFFAOYSA-N 480.478 5.731 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 615754954 BCWWDVWDZSFYNP-UHFFFAOYSA-N 461.528 5.076 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 617181315 MRXFLPLANIMYQF-UHFFFAOYSA-N 450.922 5.096 30 20 JKED O=C(N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 622599468 MMJLCSOCWRAIJI-QGZVFWFLSA-N 490.419 5.575 30 20 JKED CN(C(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)C1CCN(CC(F)(F)F)CC1 622669711 CJXXUJPLKYEUSZ-UHFFFAOYSA-N 462.409 5.610 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cnn(CC)c1 726112549 NXNZYRCMDCDHNH-IBGZPJMESA-N 462.019 5.015 30 20 JKED O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 726292504 XCOVRULQGCYKEI-YUMQZZPRSA-N 484.796 5.183 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(Cl)cc2)cn1 726887110 CTEMFRDLCJZUFN-HXUWFJFHSA-N 498.967 5.043 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1)c1nc(-c2ccccc2)cs1 727265364 CUANJHNAQQAJEQ-HNNXBMFYSA-N 484.965 5.545 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1=S 727423355 FGERMHAPEKTRIK-NRFANRHFSA-N 492.979 5.142 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)cc2Cl)c1 728000149 WDULJMCDSONFEV-UHFFFAOYSA-N 491.956 5.238 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)c1 728182571 YRUCDNBARFMQNU-UHFFFAOYSA-N 478.474 5.253 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3cccs3)n2CC)c1 728249102 HXJXYMJDBBYOPF-UHFFFAOYSA-N 458.612 5.333 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)cc1 728776983 WATKTVIMLKUWRM-HSZRJFAPSA-N 476.602 5.160 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c1 728779420 ZNAZINODHWPVEP-QHCPKHFHSA-N 462.619 5.574 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 728780680 WPYQOENHUOWRQT-LJQANCHMSA-N 475.401 5.648 30 20 JKED CCOc1ccc(N(C(=O)/C=C\c2ccccc2C#N)C2CCN(CC(F)(F)F)CC2)cc1 729241458 JTWNOQBYWLXIDW-GHXNOFRVSA-N 457.496 5.030 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2cccc(OCc3ccccc3Br)c2)c1OC 729433731 MEXAKFGXYCIDJI-NRFANRHFSA-N 481.346 5.040 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2n1C(F)F 730689217 BLFDBAACFUAXJO-ZHRRBRCNSA-N 469.850 6.220 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccccc1F 730710905 UWVCVNPGNSJVNE-SFHVURJKSA-N 493.347 5.281 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2Cl)cc1 730995411 QYANEPBDRXLUBM-UHFFFAOYSA-N 492.954 6.479 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 731027410 WZVSRXKSZQGBHD-UHFFFAOYSA-N 456.656 5.293 30 20 JKED COCc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)sc2cccc(F)c12 731071354 YANKIWQLAUVNFC-CQSZACIVSA-N 472.563 5.377 30 20 JKED COc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccccc2)cc1Cl 731159831 XFRRBUVZVXOODK-UHFFFAOYSA-N 462.962 5.791 30 20 JKED Cc1ccc(Cn2nc(C)c(C=Nn3c(S)nnc3COc3ccc(C(C)C)cc3)c2C)cc1 744807290 UMBGHULYEMLJFU-UHFFFAOYSA-N 474.634 5.321 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)CON=C(N)c1ccc(OCc2cccnc2)cc1 745448324 LARUIUSTPNABKO-UHFFFAOYSA-N 460.578 5.183 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cscn3)C2=O)cc1 747598827 FGAPYRROQUPQCW-JOCHJYFZSA-N 492.626 5.123 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cscn3)C2=O)cc1 747601429 GYOZRLWAPDICNY-NRFANRHFSA-N 492.626 5.123 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1F 747602355 ZUGSUOAIQCQABM-SFHVURJKSA-N 492.960 5.235 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H](C)c3ccccn3)C2=O)c1 837302521 XTSMQVLKGJKMEH-JPYJTQIMSA-N 474.586 5.120 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3cccnc3)C2=O)c1 837778470 CAIWASCLEIHFAX-JPYJTQIMSA-N 476.577 5.559 30 20 JKED Cc1sc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)c(C#N)c1C 893325766 FWHIIZYOAZAOID-UHFFFAOYSA-N 477.970 5.107 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 915087140 QNZSONWNWJSVGR-VWLOTQADSA-N 487.606 5.134 30 20 JKED N#C[C@@H](C(=O)COc1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccc(Cl)cc2)cs1 915102289 VOZBTPYIHWIEIJ-IBGZPJMESA-N 451.935 5.067 30 20 JKED C=CCN(C(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CC2)C(C)C 915155220 JQQQSSCBETYCQM-HMMYKYKNSA-N 472.585 5.784 30 20 JKED COc1cc(/C=C/C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCc1c(C)noc1C 915180097 LKJUUCZLJIDSCW-VJBVUQEFSA-N 493.563 6.186 30 20 JKED Cc1oc(-c2cccs2)nc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 915559394 KSXFVZRGLNSHEL-UHFFFAOYSA-N 466.563 5.302 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OCC 915683157 MVPFBKSVXNMDNE-HNNXBMFYSA-N 459.384 5.148 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C(C)C)cc1 916206242 MTGFLUAVROQTAM-OAQYLSRUSA-N 475.561 5.085 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccco3)C2=O)c1 916208189 WAHKYGCYCKPVPJ-QFIPXVFZSA-N 463.559 5.066 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 916217588 QWVWDGVHCDHBHI-LJQANCHMSA-N 479.524 5.092 30 20 JKED CCOc1cccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1OC(F)F 916310011 RCBUNPJJCXVAMG-UHFFFAOYSA-N 455.486 5.316 30 20 JKED N#C[C@@H](C(=O)COc1ccc(I)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916652484 ADBCTHQBTXEEII-INIZCTEOSA-N 494.741 5.323 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 916881805 YOGFLHPDDAZHAY-LJQANCHMSA-N 469.324 5.542 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1NC(=O)c1ccco1 916883706 NMJZHEDAVWHBNL-QGZVFWFLSA-N 469.469 5.116 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)c1 916895078 WSGULDIAECNYFU-VWLOTQADSA-N 456.542 5.533 30 20 JKED N#C[C@H](C(=O)CCc1cccc(Br)c1)C(=O)Nc1ccccc1Oc1ccccc1 916910411 SUUTXQUHOUVKKG-HXUWFJFHSA-N 463.331 5.522 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042232 DTLUXZNFSUBKRX-VQTJNVASSA-N 493.510 6.053 30 20 JKED CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(Oc2ccccc2)c(F)c1 917534131 UZEUOXIKHCGWLK-UHFFFAOYSA-N 489.576 5.126 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CN2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C(C)C)cc2)c1 917665782 KOKXOCRNXOQMCB-MBSDFSHPSA-N 494.661 5.062 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2C[C@H]2CCCO2)cc1 917666252 VVRNRPDSGGCASN-DNQXCXABSA-N 494.661 5.015 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)cc12 919666198 ISSZWDJEDJRRPF-GOSISDBHSA-N 483.380 5.723 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2ccccc2OCC#N)cc1C 919807777 DZIQTFMDWDKSMU-UHFFFAOYSA-N 450.542 5.331 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H]2CCc3cc(C)ccc32)C1=O 920170421 LNYIBTBWGPJSIG-RBUKOAKNSA-N 462.402 5.057 30 20 JKED C[C@@H](C#N)CN(C)C(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl 920448406 DBVMAZCIYSBGLR-NSHDSACASA-N 494.322 5.045 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 920870536 TUPPBGPZKYXUBZ-AUUYWEPGSA-N 497.514 5.087 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 925313508 WAGKANPBQWNQFY-HNNXBMFYSA-N 471.941 5.024 30 20 JKED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2Oc2cccc3ccccc23)C1 1781175963 KWUWYUFHXVYINW-GRKNLSHJSA-N 496.607 5.173 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)c1 1785788069 JMMNFJSFIQNFAR-UHFFFAOYSA-N 483.330 5.461 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)no4)CCC3)cc2)cc1 1785882883 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O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc4cnccc4c3)CCC2)cc1 1788649696 RIKKONPWQBHWPQ-ZHACJKMWSA-N 481.577 5.483 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCC1 1788687178 BTVVTCARNWHRTP-SFHVURJKSA-N 493.991 6.149 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc5nc(C(F)(F)F)[nH]c45)cc3)CCC2)C1 1789054642 IYDDHWLRKSGPTN-UHFFFAOYSA-N 468.479 5.296 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1789458098 KPVMDZFVRIMDQB-MOSBNWHCSA-N 493.648 5.146 30 20 JKED O=C(C#CC1(O)CCCCC1)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1789538335 HBSPZLRQDIIDIK-UHFFFAOYSA-N 493.607 5.195 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4s3)CCC2)cc1 1790567096 HCZXQOBHUCZXIJ-INIZCTEOSA-N 467.566 5.589 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc5ccccc45)CCC3)cc2)cc1 1790707682 PCOKIILNQRGOFE-UHFFFAOYSA-N 476.536 5.068 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)c1 1790710360 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Cc1ccc(CSCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cc1 1798422689 KKSNXUHGUKJENV-QEIWAGNOSA-N 484.782 5.308 30 20 JKED CCCC(=O)Nc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cc1C 1799234869 LFAKJQLETZUZAA-BKFWDETESA-N 495.740 5.037 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(O)cc1 1799623278 ICNYUBDIFOEMRP-AYWYSENESA-N 485.411 5.148 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)c(Cl)c1 1801080862 TWXTVULEFNNKSR-ACDBMABISA-N 498.970 5.519 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1802376449 NGFODGWGGPVGNJ-HOKHCIIBSA-N 477.008 5.304 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)oc3cc(O)ccc23)[C@H]1c1cccnc1 1802499439 SBKZAVURHNPBRV-NLFFAJNJSA-N 475.589 5.154 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1802500391 NGNDAMJKWMPJCN-REWPJTCUSA-N 498.549 5.284 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1803084580 UCNYVXCHOCVCSQ-LBNVMWSVSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1803088725 GCQJVUCXKAVBOZ-QPPBQGQZSA-N 451.998 5.131 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)C1 1806056967 HQXMXSMJCQESGA-QFIPXVFZSA-N 484.628 5.214 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(F)cc3C(F)(F)F)C2)CC1 1806506580 IXWXZHJVVZNVQF-NRFANRHFSA-N 480.546 5.387 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(Cn4ccnc4)cc3)C2)CC1 1806900145 VHSRZPWGSXUCEX-ZHACJKMWSA-N 488.676 5.168 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(OC)cc3)CCC2)[C@@H]1c1cccnc1 1808227012 ULWLNFZUKPSTLX-OZXSUGGESA-N 489.660 5.210 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1809474186 VGWOQLVHMCIGKA-QPPBQGQZSA-N 480.052 5.465 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@@H]1c1cccnc1 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C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1 1815556470 ACTVMFSBPKORPN-QPPBQGQZSA-N 468.649 5.164 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1815655529 RPVQIVQRJBEJFG-HXUWFJFHSA-N 491.642 5.398 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cccnc34)n[nH]2)c(Cl)c1 1818483475 RBIIWAQCZJBZCL-QFIPXVFZSA-N 484.947 5.103 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4c(Cl)cccc4s3)n[nH]2)C1 1818773328 MVRFTAVXELFDQL-SFHVURJKSA-N 454.983 5.550 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1)C(F)(F)F 1819079132 QREGKRUVIFYKFE-HNNXBMFYSA-N 466.460 5.188 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[nH]n1 1819307324 FPZMXXZRSXEATI-WMZHIEFXSA-N 493.011 5.528 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)[nH]n1 1819385105 IKOUOLVCQDFMED-FQEVSTJZSA-N 493.640 5.015 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)CC1 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C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C(F)(F)F)CC1 1823750691 RTOFVKRUARSHGA-KRWDZBQOSA-N 471.589 5.388 30 20 JKED O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824410166 APXMSNRGCNSWFA-VWLOTQADSA-N 492.019 5.174 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1824960496 CWTNRQOXXOGHCD-OAQYLSRUSA-N 461.027 5.239 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 1826420933 BRTWWSZAWXEEFK-PZYJALBSSA-N 468.682 5.009 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)CC1 1827339240 GUPWTBUEGWLGMJ-QHCPKHFHSA-N 464.654 5.282 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)CC1 1827514694 XTMGPHNXTNHMMJ-RUZDIDTESA-N 464.650 5.402 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1)c1cccs1 1827775573 AKHROGZCUHSCSN-IPLHWJFFSA-N 494.535 5.032 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828357802 OPDOKQUPWJBGBN-JYSHFMIGSA-N 497.595 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)CC1 1828982379 GTTKLOXCIDTULY-MHZLTWQESA-N 465.682 5.494 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829646837 CWMWKINHEWBGNL-MLGOLLRUSA-N 480.955 5.050 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1830017058 SPBDMCZAVFXESB-HHHXNRCGSA-N 484.644 5.096 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3F)CC2)c1 1830441324 USTITOFEVGQJFN-HHHXNRCGSA-N 489.591 5.033 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1 1830606544 PFNUOCPKRUZKGY-CLJLJLNGSA-N 481.706 5.282 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C)c(F)c3F)CC2)c1 1830770557 BSHMSWDEXFQVIG-HSZRJFAPSA-N 465.544 5.000 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1830795029 LDEBGNIGQJVPBA-SANMLTNESA-N 481.596 5.779 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831445914 MNYYIXFASOEVKM-NRFANRHFSA-N 490.978 6.045 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)CC1 1831859992 HTJMGJMYSHWZAV-FQEVSTJZSA-N 492.845 5.393 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1832028438 OFSIYESQWZQKOG-XMMPIXPASA-N 498.465 5.357 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1832030132 HTLQFRFKHBLDFQ-NRFANRHFSA-N 466.519 5.271 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2s1 1832633485 IEONJLOWTWDCRL-BVZFJXPGSA-N 488.657 5.712 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 1832635673 OIOLEYPZNMPHRC-DVECYGJZSA-N 495.570 5.462 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832691032 VJWPNYLNFVLXGX-OAQYLSRUSA-N 450.957 5.045 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1832793409 XPTYJELJZOEOGR-UUSJWDGRSA-N 491.676 5.163 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)CC1 1833076526 QKXLGOBTEZACGB-ZSQFBXSQSA-N 471.730 5.157 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)C2)c1Cl 1844675666 PWMSCQCNIFPYDS-UHFFFAOYSA-N 494.982 5.262 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)c1C#N 10711853 MEOAGPZDCDGPHD-UHFFFAOYSA-N 464.572 5.051 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 10832349 INVIVIMZHWYAPB-UHFFFAOYSA-O 455.047 5.931 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccc(SC(F)F)cc1 11113203 JFIOYUBPNLJNKL-UHFFFAOYSA-O 488.561 5.810 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(N(C)C)cc2)c(Cl)c1 22732759 FNEONKXIEVEATD-UHFFFAOYSA-O 474.984 5.639 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@H]1COc2ccccc2O1 32557099 XFXBUCMLEZMQFW-ORAYPTAESA-N 491.400 5.403 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 32917781 VVWRCBTZGXZRCF-UHFFFAOYSA-N 474.517 5.093 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)n(C2CCCCC2)c1C 33144450 BDOXNOPCIKUQLK-OAQYLSRUSA-N 495.693 5.467 30 20 JKED C=CCn1c(SCc2nc3ccccc3c(-c3ccccc3)c2C(=O)OC)nnc1C1CC1 45417293 MSZMGGZBRVCUHV-UHFFFAOYSA-N 456.571 5.636 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 117223548 JETBTXFSEMBKKY-LLVKDONJSA-N 481.368 5.158 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nnc1-c1ccccc1F 195568978 AHEQPSFLGDGZRS-UHFFFAOYSA-N 493.633 6.320 30 20 JKED Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2c1ccc1ccccc12 255949155 ICXBRKDHNRRBIW-UHFFFAOYSA-N 456.552 6.162 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 410268444 ODUQOWYCOFAVNW-UHFFFAOYSA-N 496.383 5.094 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 483700182 OUTIUCBCZSCUQN-UHFFFAOYSA-N 469.332 5.055 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 493104496 MKXYKOGGMKHTLD-UHFFFAOYSA-N 497.576 5.215 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSCc1ccc(Br)cc1F 496392331 BTGARGFCLZNBBP-UHFFFAOYSA-N 486.366 5.828 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1c2ccccc2CCc2ccccc21 497929093 HHOGLUKTRLQPCS-UHFFFAOYSA-N 487.673 5.048 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 501148388 LYRRVCBHCJEHHX-UHFFFAOYSA-N 484.556 5.491 30 20 JKED CCCOc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)cc1 504055420 QZRORTNEZKKWDS-UHFFFAOYSA-N 459.493 5.675 30 20 JKED CC[C@@H](C)n1c(SCC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)nnc1-c1ccccc1 504279214 GCDQAKSHMOSHHU-HXUWFJFHSA-N 461.635 5.565 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 504460902 RHLUPGXVJLZGIA-UHFFFAOYSA-N 483.977 5.287 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCC(=O)Nc2cccc3ccccc23)cc1 506577401 GLANFLDYGOUTBN-UHFFFAOYSA-N 451.551 5.372 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 508276146 SASHFZJMQUNTDF-UHFFFAOYSA-N 492.526 5.423 30 20 JKED CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)c1cc2ccccc2o1 510619561 VZQLMGAKTULTMK-HXUWFJFHSA-N 453.542 6.693 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(OCc2ccccn2)cc1 510693367 PRRXTKKWEUVCDK-UHFFFAOYSA-N 464.525 5.955 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 512541760 WYVHFTACXZPACE-UHFFFAOYSA-N 463.921 5.161 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)c2C#N)C1 512569149 MHBGUZUDFGIQIQ-GOSISDBHSA-N 475.618 5.248 30 20 JKED Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513863226 FTQQJTHLVFYWKJ-UHFFFAOYSA-N 470.548 5.476 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2nc3sc4c(c3c(=O)n2C2CCCC2)CCCC4)cc1 514301507 OLCSKSHMDAMUNO-LJQANCHMSA-N 495.670 5.050 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)C(C)C)CC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 514702853 VMZDSWARVFLWDL-UHFFFAOYSA-N 473.642 5.891 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccccc1 514892035 IBKITGOGJWNZQY-HNNXBMFYSA-N 451.621 5.144 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccc(OCc2ccccc2)cc1 515669170 RKHKYLPFPLHSSS-UHFFFAOYSA-N 450.498 5.375 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)no1 515715034 IYCCXGPKUWXQJX-UHFFFAOYSA-N 476.945 6.240 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCCc3nc(O)c4ccccc4n3)cc2Cl)cc1 515719242 AUVAJLSVMYCSJA-UHFFFAOYSA-N 458.905 5.614 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccccc4SCc4ccc(C#N)cc4)CC3)c2c1 516396390 UJVYDQWZEVEJMC-UHFFFAOYSA-N 479.605 6.270 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(Cc4ccccc4)c4ccccc34)n2)cc1 517800898 NUZZXSIGVLMZDO-HSZRJFAPSA-N 458.546 6.175 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CSc3nncn3-c3cccc(Cl)c3)cc2)c1 518242139 RIQYXLJLXDNHOZ-UHFFFAOYSA-N 461.934 5.315 30 20 JKED COc1cc(CCC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc(OC)c1 518683042 GLPFGEBQWKAYGX-LJQANCHMSA-N 467.635 5.832 30 20 JKED N#Cc1ccc(NC(=O)CNc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1Cl 518702093 UUOFXPLJEKTFJN-UHFFFAOYSA-N 462.815 5.126 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)cc2)cc1 519052468 UYHLDZMSRYZGQA-UHFFFAOYSA-N 454.530 5.298 30 20 JKED C=CCc1cc(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(F)c2)cc(OC)c1OC 519095975 XIXJQYCNUHKMMH-XMMPIXPASA-N 452.501 5.357 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)nnc1-c1ccc(Cl)cc1 519931371 GTTLGIVSDMBHFN-FQEVSTJZSA-N 495.008 5.243 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2C)cc1 520187517 QTTFCMUYXUFRCC-IBGZPJMESA-N 479.627 5.751 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 550767078 AETJITMUJRCZCU-UHFFFAOYSA-N 451.526 5.948 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)N(C)C4(C#N)CCCCC4)o3)c3ccccc3n2)cc1 603597306 JNNLBFWRSDUDDS-UHFFFAOYSA-N 497.624 6.037 30 20 JKED CCCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)c1ccc(C)o1 603619196 OBKRHATVRQAEQV-SFHVURJKSA-N 450.539 5.314 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603623272 GBBBYINDWLYAIE-UHFFFAOYSA-N 476.945 5.995 30 20 JKED CN1CCN([C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2cccs2)CC1 603746854 BXNYTPFZHZKUOQ-VWNXMTODSA-N 494.064 5.167 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(C(F)(F)F)c1 603973716 KFUKIAKEVHVSHE-UHFFFAOYSA-N 460.437 5.022 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 603987633 SYXYZCQMOPHYSY-UHFFFAOYSA-N 494.551 5.504 30 20 JKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 604047770 SYRBSHNRKGHPLT-AWEZNQCLSA-N 459.855 6.462 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)o2)cc1 604497305 GNQHWDDXOZOZOW-QHCPKHFHSA-N 471.944 6.230 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)cc2)c1 609063563 DKFWNPJXIOIKNI-UHFFFAOYSA-N 472.932 5.802 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)n2)cc1 609115854 NCDLECXAWGNTTL-UHFFFAOYSA-N 456.449 5.080 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCN(C(=O)c4cccc5ccccc45)CC3)c2)cc1 609126072 CDQPPSDJXMYUIS-UHFFFAOYSA-N 461.521 5.102 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 609375999 XKXIYTYCJHNXFQ-HSZRJFAPSA-N 486.374 5.754 30 20 JKED Cc1cccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)c1C 609378413 GYHJPFHZFMAKJQ-MRXNPFEDSA-N 461.509 5.320 30 20 JKED Cc1cc(Br)oc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344704 NKBROVUOIMKJRZ-NSHDSACASA-N 456.148 6.271 30 20 JKED CC(C)NC(=O)Nc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613345853 AAVJNGNDNFOOCF-MRXNPFEDSA-N 473.385 6.137 30 20 JKED O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642682647 RQFYMQCDSVVRNA-FICVDOATSA-N 480.371 5.474 30 20 JKED O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCC#Cc1cccc(C(F)(F)F)c1 644481297 CCLHRHJVTMMAGT-UHFFFAOYSA-N 464.896 5.105 30 20 JKED N#CCCCOc1cccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c1 726802026 QZADKLVKTRFRLJ-LDADJPATSA-N 459.390 5.537 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccccc2Cl)n1 727628908 YJDIDLFNWMQCIC-CQSZACIVSA-N 463.918 5.739 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1 727953403 ICIRBEPBNQXVBS-HXUWFJFHSA-N 454.954 5.259 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2C(F)(F)F)C[C@H](C)O1 728010145 DWEBJYYCKJDRAL-UWVGGRQHSA-N 450.354 5.128 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 728181719 YNFRPXKMGHZYIP-UHFFFAOYSA-N 496.554 5.834 30 20 JKED Cc1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C)n1-c1ccc(C#N)cc1 728267153 DCLYSVWEAWQOLO-HZPDHXFCSA-N 457.418 5.605 30 20 JKED COc1ccc(N2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)cc1 728393104 RGXGOLHDXMZKTP-UHFFFAOYSA-N 474.536 5.029 30 20 JKED CC(=O)N(c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1)c1cccc(C)c1C 728680629 UKYPANNQADPFLU-UHFFFAOYSA-N 451.573 5.152 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 728738668 SKOXAQCLOFOQAY-HSZRJFAPSA-N 469.463 5.320 30 20 JKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 728970742 XTCQJWBXCZPSRQ-DOTOQJQBSA-N 473.335 5.308 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730459961 QNQYDYILTOQJCW-IBGZPJMESA-N 461.509 5.527 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 730665876 SOTHBLAQFSJCBZ-UHFFFAOYSA-N 464.566 5.522 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730716204 VFOSZLUIULKGRM-FQEVSTJZSA-N 486.956 5.244 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1ccc(Cl)cc1Cl 731071803 VUBAOUGSKKCETI-AWEZNQCLSA-N 451.375 5.502 30 20 JKED N#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccc(Cl)c1Cl 731195555 KUZPCTYCEPWLIQ-FZKQIMNGSA-N 485.198 5.533 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)cc1 731305340 JSRKYUSUGOKLNC-UZUQRXQVSA-N 477.586 5.139 30 20 JKED C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S 744123409 IAHHHEBTMHRUHL-UHFFFAOYSA-N 459.950 5.399 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 744766365 OWQMPEFEXOYIMN-FTJBHMTQSA-N 474.992 5.190 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)c(C)c1 746697036 ZLNWJKLJSWQIRE-QFIPXVFZSA-N 489.588 5.359 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCOC(C)(C)C)C1=O 746697373 CPTVDHYNUUIOLQ-FQEVSTJZSA-N 490.025 5.124 30 20 JKED CCOC(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc(S(=O)(=O)C(F)F)c(OC)c3)o2)cc1 747066814 PDHJBBMTMPGNSC-LUAWRHEFSA-N 490.480 5.024 30 20 JKED CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OCCCC#N)c3)SC2=S)cc1 747472848 FSUKLFHAYXVCHY-QNGOZBTKSA-N 454.573 5.182 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1OCCCC#N 747473190 XZDZIPNJCSBXBN-OCKHKDLRSA-N 479.410 6.090 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2ccccc2OCc2cn3ccccc3n2)cc1 748583228 TWXMCCSQBQXCRE-UHFFFAOYSA-N 474.977 5.333 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)oc3ccccc23)s1 748620448 XGWMHRWPXXJYEO-QFIPXVFZSA-N 496.617 6.793 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(C2CC2)C1=O 750913033 ZDJOHNCCJQSYNL-XMMPIXPASA-N 471.582 5.485 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(CC(F)(F)F)C1=O 799214241 CJJMOSWXOOKLAO-LJQANCHMSA-N 479.524 5.341 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N([C@H](C)c3cccnc3)C2=O)c1 837300111 ROAWYVYKUWILKU-PXDATVDWSA-N 486.641 6.037 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3ccccn3)C2=O)c1 837778908 JYAFUVAWHFIWPU-MBSDFSHPSA-N 476.577 5.559 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837835454 RVFJDPKPNUGEIE-MHECFPHRSA-N 486.597 5.314 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2F)cc1 838039103 BKPJNNHXDUBVDQ-QFIPXVFZSA-N 481.524 5.134 30 20 JKED C[C@@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 857340327 PXQQLUGXWQLDBS-CYBMUJFWSA-N 458.630 5.161 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc2cccc(C(F)(F)F)c2nc1O 883977953 BLCLQNKWMACQAG-UWVGGRQHSA-N 474.323 5.599 30 20 JKED CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(c3nc(-c4ccccc4OCc4ccccc4)no3)C2)C1 904464017 AFNMEHHEXDHZPP-XIDXAVKBSA-N 486.572 5.570 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(Cn3nc(C)cc3C)c2)no1 904524548 RTSGWNADEFODCX-LJQANCHMSA-N 457.962 5.307 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccc(OC(C)C)cc2)C1=O 914549699 ICNVLQZHOKBYPI-LJQANCHMSA-N 480.417 5.048 30 20 JKED N#CC(CCOC(=O)CCCc1nc(O)c2ccccc2n1)(c1ccccc1)c1ccccc1 914898666 SNDONJMXRFQLTR-UHFFFAOYSA-N 451.526 5.101 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 915085132 GZOGLFRHNXRQAX-BJKOFHAPSA-N 478.379 5.892 30 20 JKED COc1ccc(-c2noc(CCCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 915101049 BIFXXEWVZWUXDU-LJQANCHMSA-N 478.961 5.721 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc(OC)c1OC 915103189 QQODQJLKPILIFY-KKBMMPIFSA-N 480.630 5.446 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)s2)cs1 915354291 ZEYSGJHQHNAYES-JOCHJYFZSA-N 458.612 6.200 30 20 JKED O=C1CCc2cc(C(=O)/C=C\c3ccc(/C=C/C(=O)c4ccc5c(c4)CCC(=O)N5)cc3)ccc2N1 915993692 WYNNGHLSOLFIDT-FUJGBLOQSA-N 476.532 5.248 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CC3)C2=O)c1 916217004 BDEZJHHRTAJOBV-IBGZPJMESA-N 461.509 5.445 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1cn(-c2ccccc2)nc1-c1cccs1)CCCC3 916288626 QPRHFCKCUJDZFK-UHFFFAOYSA-N 457.584 5.133 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)cc1 916383947 WZXOCFYYWICTBD-QGZVFWFLSA-N 482.853 5.242 30 20 JKED Cc1cccc(-n2c(SCC(=O)[C@@H](C#N)c3ccccc3)nnc2-c2c[nH]c3ccccc23)c1 916622875 PIONCZRGBQSITC-QFIPXVFZSA-N 463.566 5.693 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 916902128 CLPUKNYSRMVXEU-JOCHJYFZSA-N 487.581 6.140 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1-c1nccs1 916911881 YFEBOZQUCUTCSJ-FQEVSTJZSA-N 456.527 5.304 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(Br)ccc1F)C(=O)Nc1ccc(Cl)cc1Cl 916927013 CJNGEXAPJUZIRL-VXYHDWQYSA-N 456.098 5.256 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 916974359 IXLFRLBIXDNEGC-HXUWFJFHSA-N 460.584 5.281 30 20 JKED N#C[C@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 917045854 BIQXTPDKCVBUOR-TZIWHRDSSA-N 459.958 5.167 30 20 JKED CCCCc1oc2ccccc2c1/C=C\C(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 917505456 YTMSTQVRCIFPBZ-DJKHGBOQSA-N 495.583 5.082 30 20 JKED Cc1cc(NC(=O)c2ccccc2I)sc1C(=O)Nc1sccc1C#N 917561493 HEXKCKQKNGUWKJ-UHFFFAOYSA-N 493.351 5.099 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2cccs2)c(OC)c1 917595459 QYNSUWULHDFCPR-UHFFFAOYSA-N 466.588 5.164 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(F)(F)F)c2)o1 917657217 XQASTGYQAGVGTL-ORPRQENYSA-N 491.535 5.222 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 917663734 DZRNZSRGKOIASQ-NRFANRHFSA-N 496.495 5.034 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1cccs1 917701692 APPXVYLEHMYZQJ-NRFANRHFSA-N 496.564 5.101 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2ccccn2)C1=O)Nc1ccccc1F 917702454 VHUMYYMJOOACDT-VWLOTQADSA-N 498.583 5.577 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)n(C2CCCC2)c1C 919216636 VZMVOBZSJMWZIO-HXUWFJFHSA-N 486.572 5.422 30 20 JKED Cc1oc(-c2cccs2)nc1CC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 919247017 OHJGFUVTHIOLRA-CQSZACIVSA-N 469.588 5.027 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@H]2c2ccccc2)c1C 920353161 BYCWTBRQIOZXFK-QQSVUBKYSA-N 491.657 5.072 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(C)c(F)c2)no1 920356026 NLXKFYJJDOZSCJ-HXUWFJFHSA-N 486.956 5.244 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc(-c2c(F)cccc2F)cs1 920805579 MXWFAQMDSVUYFL-NSHDSACASA-N 477.970 6.346 30 20 JKED Cc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(Br)c1 920806977 VDHITOFZAWIYFA-QWHCGFSZSA-N 477.330 5.803 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 920974568 FQKYSDBHUDUFIS-IBGZPJMESA-N 454.530 5.669 30 20 JKED C=CCN(C(=O)COc1ccc(C2SCCCS2)cc1)c1nc(-c2ccccc2)cs1 921240007 PIAPGYKWNIIEHV-UHFFFAOYSA-N 468.669 6.277 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1785936335 LSDMKVHJWGULQW-UHFFFAOYSA-N 461.459 5.071 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)s1 1787335897 NFKARLOYABWQPJ-UHFFFAOYSA-N 464.978 5.347 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)c1 1787353644 DTAQCCTUPASCAR-QGZVFWFLSA-N 492.501 5.789 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4OC(C)(C)C5)cc3)CCC2)c1 1788498381 CBPIBMGKCQAHPY-UHFFFAOYSA-N 495.579 5.342 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cccc4ccncc34)CCC2)cc1 1788649911 IRGDJLYNXJFYSD-VAWYXSNFSA-N 481.577 5.483 30 20 JKED CC1(C)CCc2cccc(C(=O)NC3(c4ccc(NC(=O)/C=N/N5CCCCC5)cc4)CCC3)c2O1 1789512920 HZQCFMMQXCSPFK-TWKHWXDSSA-N 488.632 5.010 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789577510 BDXGFQAVLCKKQU-KVSWJAHQSA-N 473.451 5.067 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4cnnc4)cc3)CCC2)cc1 1789626106 JUMWEPKZRUAFKO-UHFFFAOYSA-N 457.578 5.007 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)CCC3)cc2)cc1 1790290254 OJELHAHNJXOSTC-SDHOMARFSA-N 465.578 5.194 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5s4)CCC3)cc2)ccc1F 1790520327 MQQNQGIFHSNKRD-UHFFFAOYSA-N 484.556 5.297 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(Cl)c1 1790706999 ALWOPMNJFOHTOY-UHFFFAOYSA-N 473.960 5.476 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5cn4)cc3)CCC2)c1 1790833886 RMLGCVHTGZONIE-SFHVURJKSA-N 464.525 5.516 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)CCC2)cc1 1791586390 YNNWMSCXUXMEBK-HSZRJFAPSA-N 498.023 5.616 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791726526 WDRUZCVJNLQHMX-NZQKXSOJSA-N 481.637 5.008 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4s3)CCC2)cc1 1792239575 QQQMPJUVDLEIHQ-UHFFFAOYSA-N 471.538 5.193 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)sc2Cl)c1 1798984656 BYQIRFWSFGOZDR-SJWGOKEGSA-N 462.402 5.248 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1 1800278643 WXKGRMDGRUMYKS-STAYPELNSA-N 470.585 5.056 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@@H]42)C3)ccc1Br 1800632172 GUWZZSKSZXRWNZ-QFHQZCAOSA-N 498.465 5.179 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)[C@H]1c1cccnc1 1802495568 LETFFNVVGCSQNI-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1802499855 JUALEYQTKWYSPC-WXVAWEFUSA-N 495.623 6.293 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1802500314 MKAALQRWEOGMSF-SIKLNZKXSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(F)cc2)[C@H]1c1cccnc1 1802501659 PWNQKBLQZSWWPC-PBXXJUDPSA-N 465.613 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1802729076 JRDNRZNLPMYZHI-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1803091047 KWOPIWOOFVVAHM-BVAGGSTKSA-N 496.051 5.610 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1803601616 NNSLQJVEDNKQHX-MZBJOSPHSA-N 489.641 5.148 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(-c5ccccc5)nc5ccccc45)CC3)C2)C1 1804778220 YEMPSYSFIPQRJN-UHFFFAOYSA-N 479.624 5.713 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4ccc5occ(Cl)c5c4)CC3)C2)cc1 1804944371 XBHIIYMAXOPFFO-UHFFFAOYSA-N 475.976 5.045 30 20 JKED Cc1ccc2cc(C(=O)N3CCC4(CCCN(C(=O)CCc5cccc(C#N)c5)C4)CC3)sc2c1 1805328921 VRFJVHBYIUAAKI-UHFFFAOYSA-N 485.653 5.559 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CCCC3(CCN(C(=O)C/N=C/c4ccco4)CC3)C2)cc1 1805363660 LAOKUPQSVQAUCT-JAYUQVRPSA-N 489.660 5.376 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CSc3c(C)cccc3C)CC2)C1 1805456200 GQCLFHXDOZSODE-UHFFFAOYSA-N 454.680 5.395 30 20 JKED C=C1CC(C(=O)N2CCC3(CCCN(C(=O)CCCc4ccc(C(F)(F)F)cc4)C3)CC2)C1 1805935197 XRYGFBABQNDRED-UHFFFAOYSA-N 462.556 5.226 30 20 JKED Cc1csc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(OC(C)C)c(C#N)c4)CC3)C2)c1 1807050269 NIOPYUMVAFPIEM-UHFFFAOYSA-N 493.673 5.193 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)CCC=C(C)C)[C@H]1c1cccnc1)c1ccccc1 1807985710 ALDYFLDPBZEQDE-FULLSBAXSA-N 457.618 5.031 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1cccnc1)c1ccccc1 1810444689 SHCRSXGTODZPRV-HPUNYJORSA-N 490.607 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1810501046 FEMVBGLWGZMAPU-GCJKJVERSA-N 491.529 5.552 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1812783242 BKDBECUHEJSIKO-DWBJNLRHSA-N 486.660 5.198 30 20 JKED CC(C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1)c1ccc(F)cc1 1812959367 FDUPUCFDBRIWIC-PKXQUSJVSA-N 498.602 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1813944040 PGMRYVWFMCGSDX-GEQKSPFYSA-N 473.951 5.101 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)[nH]n1 1814827692 VGSYMFQRBDYZFO-OAQYLSRUSA-N 489.542 5.217 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)[nH]n1 1814830083 ORRZKAWIFOUWJB-HXUWFJFHSA-N 456.974 5.146 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCc3ccc(C(F)(F)F)cc3)n[nH]2)C1 1815150126 HYASEDOIZHNTNK-NRFANRHFSA-N 474.527 5.410 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818164172 YYDKNJAPKGVKMK-AVRDEDQJSA-N 487.025 5.583 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)noc2CCC)n[nH]1)c1ccccc1 1818278247 WJPGWOCZZLSFHM-GGAORHGYSA-N 487.604 5.162 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818744662 VKAKJWQJBFNYAZ-VGSWGCGISA-N 465.985 5.619 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818867828 IVRDOZZCTGWGGH-WPFOTENUSA-N 487.991 5.353 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)C(=O)CC3)[nH]n1)c1ccccc1 1819520557 MBISSBWJRMVMFK-BVAGGSTKSA-N 494.595 5.042 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc(Cl)c(Cl)c3)n[nH]2)c1 1819743210 OWKFQEIFPISQKO-VLIAUNLRSA-N 497.386 5.358 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[nH]n2)c1 1820485637 SXQHXFUHUPRPPV-QFIPXVFZSA-N 499.958 5.814 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)ccc2OC)n[nH]1 1820654367 IYGQGADEKDMDMP-YLJYHZDGSA-N 456.974 5.146 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1821147707 ILECQRGZOQCORX-QHCPKHFHSA-N 471.561 5.078 30 20 JKED Cc1nscc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n[nH]1 1821151762 RXHXISXFIZNDMB-VWLOTQADSA-N 495.608 5.194 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c(F)c1 1821277386 YKUPZOKIGJVFSK-OAQYLSRUSA-N 465.916 5.002 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3CCc4cccc(Cl)c43)n[nH]2)c1 1821777046 RTUGZXRIUXJQDH-VGSWGCGISA-N 491.954 5.110 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1821920040 GLDLRSXGJVJZFT-UZLBHIALSA-N 466.969 5.841 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[nH]n1 1822583025 BAUNNJYTDSUQKI-HXUWFJFHSA-N 494.945 5.510 30 20 JKED C[C@@]1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CC=CCC1 1822981924 XAZVOVPCJYFIKX-GBXCKJPGSA-N 496.409 5.096 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CSC3CCCC3)[nH]n2)c1 1823210435 DAIDLDATFZAYKB-JTSKRJEESA-N 465.623 5.018 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1)c1ccc(Cl)cc1 1823380525 FCWSYOPLCLAQCA-IFMALSPDSA-N 468.001 5.189 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@]3(F)CCCC=C3F)n[nH]2)c1 1823588175 ICDUHHLOOMAUDJ-KQUPGTECSA-N 467.520 5.088 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@]3(F)CCCC=C3F)n[nH]2)cc1C#N 1823588849 PANSXTIMXLGCIF-FQRUVTKNSA-N 497.546 5.120 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1823751907 DCMHKCVUOAVNHE-JOCHJYFZSA-N 453.652 5.522 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1823885308 PIJXTANFQKAAKF-QFIPXVFZSA-N 474.630 5.233 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824208122 ANYZYJHEWQXUJW-HSZRJFAPSA-N 489.701 5.068 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1824512133 DMVGVCJRQZJRMM-AMGIVPHBSA-N 460.618 5.178 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccs2)CC1)c1ccc(O)cc1 1825315378 LWHMTKZBXFRISA-IGKIAQTJSA-N 492.685 5.203 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)CC2)c1 1828166799 RZIBRRIWNQPKJR-RUZDIDTESA-N 487.003 5.307 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828351922 YJAVYYPAJQVSQZ-SKZDWMOJSA-N 495.623 5.570 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828547654 ZRTMESCRYJDBJO-UZLBHIALSA-N 450.695 5.151 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](C#CC)c2ccc(O)cc2)CC1 1828831615 WFUWGOXIELJSEF-KJYTXNCISA-N 476.661 5.277 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)c1 1829679247 JKKRCSRNPFZRDH-RUZDIDTESA-N 491.632 5.313 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1)C(F)(F)F 1829784050 BANMJHCCTJGNOG-QFIPXVFZSA-N 489.513 5.240 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2)CC1 1830120401 QHEJFLHFKSJFPL-HXUWFJFHSA-N 483.397 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1830155390 JKQDKMZEDUHOTP-HSZRJFAPSA-N 485.072 5.371 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)cc1 1830486046 AJJAHJGTVMEIGP-DEOSSOPVSA-N 467.972 5.092 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830994943 KDRZOJADNMPWKV-HSZRJFAPSA-N 454.014 5.248 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1831262670 ZYFFSIGNCIETCU-JIPXPUAJSA-N 475.608 5.004 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1)C(F)(F)F 1831453447 WJFIYHNQUSVAOW-SFHVURJKSA-N 480.424 5.196 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)cc1C#N 1831791690 SFOIAPVJPWVQJX-PKTNWEFCSA-N 499.655 5.382 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1832030259 KBBPBMUTHVOBRE-JOCHJYFZSA-N 488.554 5.294 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)c(F)c3C)CC2)c1 1832619497 LKFWLUCAPJIDQO-DEOSSOPVSA-N 465.544 5.000 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1 1832630117 ZLQBIFNIYKWFSX-BCHFMIIMSA-N 496.026 5.582 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)c1 1832631713 HDZWMZPPGACMGS-IBVKSMDESA-N 468.601 5.342 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 1845345796 DQUPONTVOVZBNK-UHFFFAOYSA-N 492.366 5.133 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2cccc(C(F)(F)F)c2F)C1 1845347722 RUWZCOCDKDGUFV-UHFFFAOYSA-N 492.366 5.133 30 20 JKED Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](C)C#N)c3)C2)c2ccccc12 1846833084 PKZHYRGWVKCGDN-QFIPXVFZSA-N 465.597 5.225 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccc(Cl)cc1 9071069 WNNROBPXWCQUIU-UHFFFAOYSA-N 453.999 5.274 30 20 JKED N#Cc1ccc(F)c(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)c1 10134610 WUHYKJRUCDMWSA-UHFFFAOYSA-N 456.333 5.939 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179087 KYFXQITXFCXRLD-UHFFFAOYSA-O 489.448 6.042 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc(C#N)c2)NC(=O)N1CC(C)C 10354681 DJPPOCNMIAFEMK-NRFANRHFSA-N 456.468 5.212 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10759101 RNYZYWSWSTVSSG-UHFFFAOYSA-O 464.920 5.162 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2CCc2ccccc2)cc1 11068232 YYHWDYNTMCVMDU-LJQANCHMSA-N 483.597 5.187 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)cc1 11114090 OXACELAPHZWEGE-UHFFFAOYSA-O 473.590 6.169 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 15237055 WBDZCLJSABAJPD-OAQYLSRUSA-N 491.016 5.245 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCCn2ccc3ccccc32)c1 15743608 HTIDNLLCSQHOIP-UHFFFAOYSA-N 468.582 5.064 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc(Cl)c1O 16438923 ZILZYOMXDMWCCM-LFYBBSHMSA-N 457.935 5.060 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22729293 YWJAZDSHLDOEIK-UHFFFAOYSA-O 465.642 6.541 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2cc(C)ccc2C)cc1 22729641 RUZHXWWVRMDTRJ-UHFFFAOYSA-O 468.440 5.967 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)cc1 22731306 VHNLKGFAYQBKQJ-UHFFFAOYSA-O 451.637 5.591 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccccc1Br 23518314 JWLTZQCFGVMDDH-CQSZACIVSA-N 491.386 5.064 30 20 JKED CCOc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCCC4)cc1 24094162 XWVDFDAUNNAKJK-MRXNPFEDSA-N 464.616 5.260 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccco2)n(C2CCCCC2)c1C 24509934 DDPJTMJRFAEMIS-UHFFFAOYSA-N 478.622 5.323 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nc(C)c(C)c(C)c1C#N)CC2 29894889 MTNLZUYSDAJRFJ-HHHXNRCGSA-N 487.625 5.162 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)CC1 71931629 GQNKRKHQCPRWPX-QFIPXVFZSA-N 492.988 5.643 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c1 302971307 OBJBZUVHDGKEJA-XTEPFMGCSA-N 467.569 5.488 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 409976147 BDGINMCSCNXUHG-INIZCTEOSA-N 498.377 5.032 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(SCc4cn5ccccc5n4)cc3)s2)cc1 487446547 PPSQFEBKCKVAJM-UHFFFAOYSA-N 481.606 5.798 30 20 JKED COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N(CCC#N)c4cc(C)cc(C)c4)n3c2c1 498025868 HGNNVNRMIFKBEE-IBGZPJMESA-N 473.602 5.244 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 498057057 GJTDZLFPEFPILF-SFHVURJKSA-N 483.597 5.624 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C 502598056 WIUPYJITDYQXLV-UHFFFAOYSA-N 488.401 5.789 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(Cn2cc(C#N)c(=O)c3ccccc32)cs1 502677259 UIJVXWKCZWXTCD-UHFFFAOYSA-N 468.460 5.081 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 503273143 UTVQPQOWRZDKRJ-UHFFFAOYSA-N 451.530 5.275 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc21 503540432 QUKGEBACOPZPCP-JOCHJYFZSA-N 454.555 5.390 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)n(-c2ccc(F)cc2)c1C 514486744 YBUDKBHBUPBCML-UHFFFAOYSA-N 486.532 5.367 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 515158805 ZMMJMTUHKRQSEV-UHFFFAOYSA-N 469.522 5.806 30 20 JKED C[C@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 517931795 VYHRLJFABIWNHD-VIFPVBQESA-N 473.776 5.472 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)cc1 518207447 KOHSJRPRGSGQQU-DEOSSOPVSA-N 451.530 5.107 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H](C)c1cc2ccccc2o1 518555208 KDIOJKXSXQMNMA-SFHVURJKSA-N 453.498 5.645 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nc(-c2ccncc2)cs1 518642149 XGJBPQORMHATNE-FQEVSTJZSA-N 473.989 5.803 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 518642613 CBNGTUJNWWLNCK-MRXNPFEDSA-N 496.976 6.110 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 518653910 ODSVIFICDHMLIM-IRXDYDNUSA-N 499.687 5.311 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Br)c2c(c1)OCCO2 518668976 XOADEMZPZKUYAL-UHFFFAOYSA-N 487.297 5.497 30 20 JKED CN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H]1CCSc2ccc(Br)cc21 518671202 SWWYFSXUNABIBF-KRWDZBQOSA-N 490.448 5.089 30 20 JKED CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccccc1SCc1ccc(C#N)cc1 518764782 JOHLPEJDCNZZDU-UHFFFAOYSA-N 494.414 5.324 30 20 JKED CC(=O)Nc1cccc(OCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 519186952 XHPUJUZLGIIDOB-QHCPKHFHSA-N 462.937 5.154 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 520544946 DDLVOWDITUSBON-UHFFFAOYSA-N 457.005 6.005 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 521105009 ZJSARIOFCVAESO-UHFFFAOYSA-N 486.322 5.061 30 20 JKED COc1ccc(Br)c(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 522326175 CTEQRSJPXZVONZ-UHFFFAOYSA-N 482.353 5.380 30 20 JKED CCC[C@@H](C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 522583226 ODDYFUGWHHNDOI-KRWDZBQOSA-N 474.417 5.201 30 20 JKED COc1ccc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc2c1 523135153 VHPBGCDIQCFFLC-UHFFFAOYSA-N 453.517 5.771 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)nnc1-c1ccc(Cl)cc1 523569577 XEFUQNRSAGRALG-UHFFFAOYSA-N 492.008 5.178 30 20 JKED COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 524708049 SKVZLIYNHGMWDO-QHCPKHFHSA-N 486.959 5.459 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2Cl)cc1 550727717 UEJYVUHIAVKMOQ-QHCPKHFHSA-N 469.875 5.888 30 20 JKED N#C[C@H](C(=O)c1cnnn1-c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 591862676 YJIDOHZKXZHXSH-CYBMUJFWSA-N 474.760 5.841 30 20 JKED Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)s1 604142480 OETCDDQZIBSEMH-VFNWGFHPSA-N 451.979 5.490 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 604365093 DFMPDXLYICYWBY-UHFFFAOYSA-N 480.568 5.748 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 604430069 MYNGJCJJISDPMX-UHFFFAOYSA-N 454.313 5.334 30 20 JKED COCCOc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1Cl 604440016 YNKFIMNRTCRIBS-UHFFFAOYSA-N 495.988 5.220 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1Cl 604452037 ISFHIMCNAIFTTL-HSZRJFAPSA-N 475.976 6.363 30 20 JKED CCCn1c(C)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2cc(OC)ccc21 604463619 WERVQEAARGJRSF-UHFFFAOYSA-N 454.530 5.988 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cn1 608804237 PFSNCMQHUZAZHN-UHFFFAOYSA-N 455.470 5.487 30 20 JKED CCC[C@@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 608864740 QFZJRIBMCPZPMF-GOSISDBHSA-N 487.482 5.198 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 608963857 VLFYJOOCCKWQQV-DEOSSOPVSA-N 450.897 5.143 30 20 JKED Cn1ccnc1Sc1ncc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1Cl 609011005 QNSPQVYGZVSYQX-UHFFFAOYSA-N 451.964 5.472 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609063332 ZTSGAPOTOBRORN-UHFFFAOYSA-N 489.988 5.411 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCc1cccc(Cl)c1Cl 609088845 KUHSVMNTHOUITR-UHFFFAOYSA-N 468.340 5.007 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 609377943 LPFYXNMKBVUDSN-RBUKOAKNSA-N 479.627 5.230 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 609400039 FOSZLSSDIQNPJB-RYUDHWBXSA-N 454.354 5.200 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C 609426619 URFZLIFMWBKURT-UHFFFAOYSA-N 481.556 5.374 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc2cc(Cl)ccc2s1 613404152 ZRLOVSLPILGYGK-CQSZACIVSA-N 452.944 5.939 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613405294 XDFNERUADDJXCC-SFHVURJKSA-N 471.504 6.324 30 20 JKED C=CCN(C(=O)CCNC(=O)c1ccco1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891434 HFWADVBFMBPJFO-UHFFFAOYSA-N 457.555 5.409 30 20 JKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(OCC(=O)Nc2ccccc2C)cc1 725831779 VQLCYXJXDRKKJS-UHFFFAOYSA-N 493.489 5.811 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CC[C@@H](C)OC)C1=O 726394073 SNEOPNRSRNJUDI-HOYKHHGWSA-N 491.613 5.234 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 726399196 MVXQCZWQDHEEGK-XOBRGWDASA-N 477.989 5.173 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc3cccnc23)c1 726411497 INNMBCSFOLEOLK-RUZDIDTESA-N 490.588 5.377 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1F 726413258 WROMNKGKAMIRGM-QGZVFWFLSA-N 482.364 5.264 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(C[C@H]2CCCO2)C1=O 726418747 FJVPSQYLJOZESQ-YHAMHSHBSA-N 492.066 5.279 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)ccc2C)cc1 726570764 KZPPMBBQCYEEME-UHFFFAOYSA-O 463.026 6.392 30 20 JKED CCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(C(C)(C)C)cc2)cc1 726572180 QIQUQMPEDGQGRB-UHFFFAOYSA-O 460.623 5.341 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@H](C)c2cccs2)[n+]2ccc(C(C)(C)C)cc2)C=C1 726580347 XLYSBFGPLDWYKC-QGZVFWFLSA-O 480.679 5.665 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1-c1cccc(Cl)c1 726731831 OCKSMKWCXNDYEC-OAHLLOKOSA-N 497.916 5.018 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc(OC)nc2)cc1 726960514 PNVINCMISHUYGZ-UHFFFAOYSA-O 491.637 5.375 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1ccccn1 728421100 OTBMGWLGSOIKBI-CVDCTZTESA-N 483.597 5.292 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCCCC#N)C2=O)cc1 728779493 ISHJPILRWIVUHV-NRFANRHFSA-N 452.555 5.097 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCCCC#N)cc1 728780704 XGUWQHZLOPNYLL-QHCPKHFHSA-N 476.602 5.106 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccccc2Cl)cc1 729668378 ICRSBJZRIOMXGN-UHFFFAOYSA-O 486.013 5.962 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2Cl)o1)c1nc(-c2ccccc2)cs1 730935329 CVASTIBSPCHGFP-HNNXBMFYSA-N 452.948 5.482 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N([C@@H](C)c2cccnc2)C1=O 730944602 YNHXQFQVOWOHBZ-AOMKIAJQSA-N 495.004 5.465 30 20 JKED Cc1ccc(/C=C\C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(Br)c1 731066969 KIKIUUKMBDYEEE-YDZSZYSISA-N 473.392 5.204 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(F)cc2)n1 731069710 LJFUUDSDIZVSOW-AWEZNQCLSA-N 455.536 5.139 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 731072382 GRCWQGVLCHQGFY-ZIAGYGMSSA-N 467.374 5.337 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C)cc1 731305883 PSISCTUVOYDMQW-DEOSSOPVSA-N 489.597 5.008 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2cnn(C(C)(C)C)c2)ccc1Cl 744067865 FHENFNXCRXESIA-UHFFFAOYSA-N 490.988 5.064 30 20 JKED COc1ccc(-c2nn(CN(Cc3ccc(C#N)cc3)CC(C)C)c(=S)n2C[C@H]2CCCO2)cc1 746055925 KZMKKRNYKDLRHS-RUZDIDTESA-N 491.661 5.256 30 20 JKED CCOc1c(Cl)cc(C=NO[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC 749537797 HMPWRMOIMXVHNV-ZDUSSCGKSA-N 455.338 5.095 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(OC(C)C)cc2)cc1 749656550 VRAQHZCJJNJVLJ-UHFFFAOYSA-O 486.661 6.860 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(F)(F)F 750393854 AKQPEEXECYPYIG-GOSISDBHSA-N 474.504 5.877 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(OC)c(Cl)c3)cs2)cc1 750394954 JOAICIRBLKJOTC-QGZVFWFLSA-N 469.950 5.222 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 750842179 ALBMCOTYSANILX-UHFFFAOYSA-N 488.521 5.178 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)n1 809598654 FUTWXTWDTOPOMT-HNNXBMFYSA-N 458.490 5.373 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@H](C)c2ccccn2)cc1 837839281 UGHAHMZAOWUKMM-VGOFRKELSA-N 489.557 5.020 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(Cc2ccccc2)cc1 839407314 UTHCWLUISGQWFC-UHFFFAOYSA-O 477.653 6.609 30 20 JKED CC(C)(C)OC(=O)NC1(c2noc(-c3cccc(Oc4cccc(Cl)c4C#N)c3)n2)CC1 904990331 IVXYQGXKMWQFNT-UHFFFAOYSA-N 452.898 5.568 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2C2CC2)c1 913119869 YGOMYNKQXQUVLT-IBGZPJMESA-N 491.400 5.075 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H](C)c2ccco2)c1 914495950 NHCGCCANAFQURD-KRWDZBQOSA-N 458.967 5.148 30 20 JKED COc1cc(/C=C\C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OCc1c(C)noc1C 914517725 MEATXPWPSNIKBE-QBFSEMIESA-N 473.573 5.449 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 914680404 WVQTUGPHGHKLAK-ZDUSSCGKSA-N 468.522 5.445 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)/C(=C\c1ccc(F)cc1)c1cccs1 914744202 QQKQEMPKJAHLJU-MJTYITSWSA-N 465.434 6.454 30 20 JKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN(C)Cc2ccc(C#N)cc2)c1=S 914783066 DAPSXOMMKNKNEU-UHFFFAOYSA-N 468.630 5.551 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 914795933 OPLPNLDTTHIIQV-KBPBESRZSA-N 471.848 6.031 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)n2)cc1 915099823 CIXXYJMLEPAWOJ-FQEVSTJZSA-N 458.543 5.376 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=Nn1c(C)nc2ccccc2c1=O 916293636 XQLPILSRLKKVLV-UHFFFAOYSA-N 460.752 5.101 30 20 JKED COc1cc(C(=O)Nc2cccc(OCC#N)c2)ccc1OCc1ccc(Br)cc1 916410455 AKLSAOOTHDACIY-UHFFFAOYSA-N 467.319 5.191 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cc2c(cc1Br)OCCO2 916708263 QMIOLWVAQQJFQS-IERDGZPVSA-N 492.373 5.758 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c12 916918643 OMBRPZZWIYVHAI-NRFANRHFSA-N 465.557 5.487 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc2cc(C(F)(F)F)ccc2s1 917043696 NNLNTNZUTQXNIV-OAHLLOKOSA-N 461.465 5.997 30 20 JKED FC(F)(F)c1nc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c2ccccc2n1 917215611 XAXOWIWMORXCLE-UHFFFAOYSA-N 484.507 5.055 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2nc(Cl)c(Cl)cc2Cl)cs1 917538316 LQIDETPAKBMIRO-UHFFFAOYSA-N 454.770 5.937 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(Oc3ccccc3)c(F)c2)cs1 917560117 HIBLOKHNXQDLQZ-JLHYYAGUSA-N 492.959 7.309 30 20 JKED CCOCCCn1c(NN=Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)nc2ccccc2c1=O 917586880 AVOYKVJQHWHCCG-UHFFFAOYSA-N 499.402 5.070 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(F)(F)F)c2)o1 917657219 XQASTGYQAGVGTL-YHBQJITHSA-N 491.535 5.222 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)cc1 917667481 VLTZPDUIFNXCPQ-DSNGMDLFSA-N 490.673 5.397 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccccc2Oc2cccc(Br)c2)n1 919472612 RFALVXNZGCHOND-KRWDZBQOSA-N 471.332 5.040 30 20 JKED CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c(Cl)cc1Cl 919864382 OLAPOSTYZMZVJX-CQSZACIVSA-N 498.432 5.371 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 920108238 DDRLRPOQMPAAAU-AREMUKBSSA-N 487.515 5.891 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)n1 920327660 JFCVWEMDHJSTOO-LOHYDARVSA-N 454.910 5.529 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c(C)c1 920353239 DZRCCHXBNSENBR-JOCHJYFZSA-N 480.565 5.208 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3c(C)noc3C)C2=O)c1 920353366 HXUUULDKLDMYAD-QHCPKHFHSA-N 492.601 5.077 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2cc(C)on2)C1=O 920354547 DULOBKXIRDIQGO-HSZRJFAPSA-N 492.601 5.241 30 20 JKED Cc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)n2)cc1F 920806531 ZVRJAVDZRVEAOI-AWEZNQCLSA-N 468.460 5.395 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)n1 921216410 SPDZZYUGTJYFGL-GOSISDBHSA-N 480.542 5.662 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1Cl 929074460 LKEDCLKYKNCJLD-HSZRJFAPSA-N 467.960 5.771 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)c1 1786042750 VSHPTBVEOKZAPV-UHFFFAOYSA-N 492.501 5.353 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1 1786263066 FPTQIYCBXHADBF-PIIWDFAUSA-N 481.637 5.170 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5cc(-c6ccccc6)ccc45)CCC3)cc2)CC1 1787878424 NMJDLWIETWVZDZ-UHFFFAOYSA-N 475.552 5.281 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3c(C)noc3-c3ccccc3)cc2)CCC1 1788671665 NYJVDHSUUKVLOS-UHFFFAOYSA-N 455.558 5.591 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)c1 1789015112 ACPSPURLXICSLE-UHFFFAOYSA-N 460.537 5.476 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H]3C)cc2)CCC1 1789209305 LROGREOCVHGPPB-NYVOZVTQSA-N 469.626 5.026 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789933373 QANHZZXHYSRDHU-UHFFFAOYSA-N 457.599 5.416 30 20 JKED CN(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cc1 1790298928 SDHMIWXKVSMBGV-CCEZHUSRSA-N 473.598 5.001 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4Cc5ccccc5N4)cc3)CCC2)c1 1791135450 AHKYYYWAKXYTPA-SIBVEZHUSA-N 464.569 5.098 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CN(Cc3ccco3)C(=O)OCC)cc2)CCC1 1791771726 GTBZYMQFCREGRJ-UHFFFAOYSA-N 493.604 5.141 30 20 JKED COc1ccccc1CC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126229 BYZCUYCSTXWGIF-FQEVSTJZSA-N 467.569 5.313 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4noc5ccc(Br)cc45)CCC3)cc2)CCC1 1792233557 QSUSEGNEBMONST-UHFFFAOYSA-N 493.361 5.032 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Sc1ccccc1)c1ccccc1 1793438180 MBTVRLTVHTWQBL-UDODTCMPSA-N 460.643 5.003 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1794075745 YDGWUXYCHXLDPX-STAYPELNSA-N 470.585 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1 1800794914 ZNWRQSLBLPCIGO-IYWMVGAKSA-N 479.448 5.801 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(F)(F)F 1800854164 DXFIXILSVGBRTB-REPLKXPHSA-N 464.434 5.002 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1802500269 LTHNXYCIIFBPFY-ZJSXRUAMSA-N 482.694 5.583 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1803083699 HAVKOXMEEJUUCY-LBNVMWSVSA-N 480.612 5.232 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cccc(F)c4s2)C3)cc1C#N 1803839343 PFLMUCQLBALYTB-WKCHPHFGSA-N 491.588 5.265 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803999417 KNPFAAFRZHTRCF-VUOVCSPLSA-N 493.476 5.031 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(C)cs2)[C@@H]1c1cccnc1 1804528376 GXPFXCALWXJWMY-URXFXBBRSA-N 453.652 5.083 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)Cc4ccccc4Cc4ccc(F)cc4)CC3)C2)C1 1804788536 YNVDQNVRUCIBIG-UHFFFAOYSA-N 474.620 5.156 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)COc3cccc(Cl)c3)C2)CC1)c1ccccc1 1805209072 LIVFTGLIVFZSCY-AREMUKBSSA-N 493.047 5.147 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4C[C@H]4c4ccc(F)cc4)C3)CC2)c1 1805302458 KLYAKCNYVJOIQQ-RFLWCCGPSA-N 473.592 5.101 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@H]1c1cccnc1 1807480373 SRXWCMBITUUVAG-GGXMVOPNSA-N 497.639 5.292 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1809492519 ZMPCXZIHOSDCCT-HDXVFLSXSA-N 469.585 5.315 30 20 JKED Cc1cccc(C)c1C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810271542 HQAOULOZMUVYSE-RPLLCQBOSA-N 475.709 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2C(C)(C)C)[C@@H]1c1cccnc1 1810494530 HPANVWHSUIILJG-FYYLOGMGSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1810504542 DZHBOJMJPMTESF-QFBILLFUSA-N 480.461 5.762 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1811743382 OFONMZBQEGHJOV-ZEQKJWHPSA-N 487.003 5.363 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccnc1 1812039640 QPGYZYYKBLKXBO-CVDCTZTESA-N 470.013 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813956689 RRFYGSVWQHVIBJ-ZGIBFIJWSA-N 479.624 5.837 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814736934 QJMXHSCWYNPBNA-HSZRJFAPSA-N 487.604 5.419 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cc(F)ccc3Cl)n[nH]2)c1 1815577065 OUGBXOWSWSRYLM-QMHKHESXSA-N 493.970 5.378 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)Sc3cccs3)n[nH]2)c1 1819257887 LPMSPLJMFYEMIX-OXJNMPFZSA-N 479.631 5.138 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)[nH]n1 1819303287 TWRKCYAMMOETIY-SIKLNZKXSA-N 471.001 5.075 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1C 1820220808 BPLMFNGOKXRIIX-NRFANRHFSA-N 491.979 5.180 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820232522 QQUSLRVLHNQEMZ-HXUWFJFHSA-N 452.942 5.309 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n[nH]1 1821002603 DVKGGEVRBOLGGJ-RUZDIDTESA-N 497.599 5.162 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n[nH]1 1821002764 GOBUXHOQYLEFTC-NTKDMRAZSA-N 485.588 5.180 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3N3CCCCC3)[nH]n2)c1 1821325585 JUGVPQXGYBECGH-SANMLTNESA-N 496.615 5.200 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(Br)cc23)[nH]n1 1821921846 VSCLAWSTQJGTGP-VFNWGFHPSA-N 498.425 5.101 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccnn3C)c(Cl)s2)[nH]n1 1822579589 GVHFMYHAIRYGLP-IBGZPJMESA-N 499.040 5.025 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1822580024 QKIHZZMZOYEUDH-XMMPIXPASA-N 469.589 5.280 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2OC(F)F)n[nH]1 1823264402 PRGMRABZZDZDMX-LPHOPBHVSA-N 458.509 5.085 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(C)ccc23)n[nH]1 1823565400 HYRUPUFJBLEUQS-ZQAUEJBPSA-N 467.520 5.116 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)oc2ccccc12 1823811255 BKGIACNSYPJLDH-VWLOTQADSA-N 469.585 5.089 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1824507917 FOIZCXJSNMXJOE-WNCULLNHSA-N 499.655 5.431 30 20 JKED CO[C@](C)(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1)c1cccc2ccccc12 1824532449 DGZUHMOSXSFKNZ-GEBXHLAXSA-N 496.717 5.276 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 1827329709 JLPIUPDMJNOUOZ-LJAQVGFWSA-N 492.623 5.476 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ncccc4c3)CC2)c(Cl)c1 1828036017 ZMRHWEDFFOKDBD-SANMLTNESA-N 487.003 5.307 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cs2)CC1 1828825661 ZRTGLOAQEWMMAG-VQTJNVASSA-N 479.484 5.512 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1828826241 AFGTYGIBYORXFA-AOYPEHQESA-N 481.656 5.428 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2cc(OC)ccc2OC)CC1 1828826795 CBASYJBKFGHJPS-KAYWLYCHSA-N 496.692 5.415 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1828828753 RVUAFYOOLHYYHS-FGZHOGPDSA-N 451.636 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(SC)cc2)CC1 1828828925 ALGZYOHLVWHJDH-LOSJGSFVSA-N 454.680 5.339 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829575930 BUUPVGDOWHSUEO-YADARESESA-N 491.657 5.274 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)c(F)cc4nc3Cl)CC2)C1 1829631917 KEBPXMAAJLAVJW-QHCPKHFHSA-N 487.978 5.366 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3C)CC2)c1 1829676151 SDXIXAKJQAHORU-RUZDIDTESA-N 480.008 5.076 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c1Cl 1829689826 RVBDKAVCYZDFRW-HSZRJFAPSA-N 493.032 5.368 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830359010 MNXFVCRCTLWMNU-FQRUVTKNSA-N 493.648 5.040 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1830417668 GRTWTVGASNICME-MBSDFSHPSA-N 496.479 5.347 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cc3ccc(F)cc3)cc2)CC1 1830457480 FFGXGSZDXMTZCS-HHHXNRCGSA-N 460.593 5.063 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830656488 VZYLTWQSIYFABY-NRFANRHFSA-N 485.427 5.349 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830717512 WKVLMOUNWKOFRG-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721092 XEFWVUJJMPCSQS-KBMIEXCESA-N 496.076 5.626 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)CC1 1830731007 NRZQKXALPCQBOJ-DEOSSOPVSA-N 499.627 5.210 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1831373625 GPRNCIXSFHHJQJ-IIBYNOLFSA-N 454.508 5.290 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1831508787 GFBWVKOPRGWCHR-FNZWTVRRSA-N 478.036 5.639 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1831849530 ZZYQRHBRGJNNFM-HHHXNRCGSA-N 457.618 5.094 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1832034499 MPJJPEAZICIGIL-ISJGIBHGSA-N 499.493 5.366 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)CC2)c1 1832632207 MOTATKWCMDBPGN-UISTUNCQSA-N 499.680 5.435 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)c1 1832633223 GUXVLEPGKHNSCS-JWZKTCGFSA-N 471.645 5.741 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1832677302 UZSBEXOBJWWHIR-RUZDIDTESA-N 460.622 5.078 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1832679446 ROQZBRJQFPVWKF-RPBOFIJWSA-N 460.622 5.078 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1C#N 1832704808 VMFWPXWIQDJBCB-UPRLRBBYSA-N 499.655 5.382 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(CC)CCC2)CC1)NC(=O)OC(C)(C)C 1832755315 UJZNFMSTXCHLMU-PKTZIBPZSA-N 489.701 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)CC1 1838216402 YQPDACKRMWTOMG-UHFFFAOYSA-N 465.638 5.081 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)CC1 1838374810 IOCSSZWPPUMCLE-MHZLTWQESA-N 466.666 5.120 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(OC)cc4)CCC3)CC2)CC1 1838423815 FSVNDDVHSZGBII-UHFFFAOYSA-N 496.692 5.108 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCC(=O)OC)C2 1844205197 MOWQQIQNGLJXBQ-HSZRJFAPSA-N 460.659 5.032 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)C1 1844628144 MBQAHWNRNLOXPG-UHFFFAOYSA-N 498.703 5.098 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccccc2SCc2c(C)noc2C)c1 8712584 GKMRFAYKULNFDG-UHFFFAOYSA-N 477.586 5.304 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173579 XLFYVFCXFLHZCE-UHFFFAOYSA-O 491.680 6.667 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2cccc(Cl)c2)cc1 10830562 OMUROTCTZLCEOG-UHFFFAOYSA-O 452.043 6.538 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@@H](O)COc2ccc(CC#N)cc2)c(C)c1 15237974 QTIUYMRLTUBYDB-DEOSSOPVSA-N 484.625 5.073 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Br)ccc2F)n(C2CCCCC2)c1C 16667316 JLWKWLOBJUQSCQ-UHFFFAOYSA-N 476.346 5.179 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2C2CCCCC2)cc1OC 21170295 RUFQYYDKVRIMHX-SSOJOUAXSA-N 485.654 5.003 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 21683250 YVFRNFAGBVVWKU-IAGOWNOFSA-N 480.659 5.030 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 21849047 UKCILZOWRZFSEY-KRWDZBQOSA-N 453.999 5.354 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)n2C2CCCCC2)cc1 22118858 HQXGCCBTBLNZHM-SFHVURJKSA-N 467.639 5.282 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(C)c2)cc1 22729042 JTVBHVYTRBJWKV-UHFFFAOYSA-O 453.578 6.515 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2sc(C)c(C)c2c1=O 23559515 DKSDQFONAIYPNV-GFCCVEGCSA-N 468.431 5.687 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 25627110 PGOIAGSNYWQPCC-MRXNPFEDSA-N 453.951 5.264 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)sc2nc(C(F)(F)F)ccc12 29786118 NEDYIVULSBTWDK-UHFFFAOYSA-N 458.490 5.795 30 20 JKED O=C1/C(=C/c2csc([N+](=O)[O-])c2)CN(Cc2ccccc2)C/C1=C\c1csc([N+](=O)[O-])c1 68723235 DNTWHKVRWIMQGN-JRGWAENISA-N 467.528 5.178 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)nc2sccc2c1=O 104598107 ILVAJUHRPHPPJO-UHFFFAOYSA-N 499.042 5.555 30 20 JKED COc1ccc(/C=C2\CSC/C(=C/c3ccc(OC)c(OC(F)F)c3)C2=O)cc1OC(F)F 104758862 BRWCNQUTYLYKEJ-BSHIDLADSA-N 484.467 5.690 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1 195635589 PHOGPTBEOKJXFK-UHFFFAOYSA-N 468.557 6.109 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC2CCC(c3ccccc3)CC2)c1 195679762 UXUAOANDUMTJPX-UHFFFAOYSA-N 469.610 5.745 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(F)cc2F)c1 248089986 FJQKSHPXPJXQHM-UHFFFAOYSA-N 490.959 5.272 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 302939513 HKZMPSHTIUTVDX-UHFFFAOYSA-N 477.580 5.523 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1 302987177 FFFXPKVYBGJAQA-UHFFFAOYSA-N 488.616 6.179 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1 409806134 HKABHWLWWOTQPT-UHFFFAOYSA-N 454.461 5.999 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 483367898 AEWXCVYVGTXJCL-GBXCKJPGSA-N 455.533 5.149 30 20 JKED COc1ccccc1[C@H](CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)N1CCCCC1 498730767 QUMJWMIOZBYWIV-SANMLTNESA-N 485.632 5.046 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(-n2c(C)cnc2O)cc1 502392538 NYHOGDXUGGKODB-INIZCTEOSA-N 487.373 5.247 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@@H]3CNC(=O)Nc3ccccc3)c2)cc1 502735917 DJBPUMRGXKCNMC-HSZRJFAPSA-N 454.530 5.167 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC2(c3ccc(Cl)cc3)CCCCC2)CC1 505104345 LMARSOBEDJIGNW-UHFFFAOYSA-N 478.980 5.652 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1Cl 506434674 XCKQWODABYCCTC-ILBGXUMGSA-N 487.987 5.142 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 506512054 MSPSSQYWEXMULB-UHFFFAOYSA-N 456.502 5.018 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507879323 RISJESFGVBSYOZ-JOCHJYFZSA-N 479.989 5.494 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1C 509674581 ALGVKIDUCHLCFI-UHFFFAOYSA-N 451.530 5.865 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2nccs2)cc1Cl 510302919 HKQLPNCDOYZMGY-JTHBVZDNSA-N 486.984 5.296 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511436475 FWJUWSPBAUZAGO-SANMLTNESA-N 485.584 5.553 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc2ccccc2n1C(F)F 511459205 GJNQSCQPRDVEEB-HNNXBMFYSA-N 474.471 5.438 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccccc1Br)c1nc2ccccc2s1 513660201 KLTHZVOMVMLLLU-MRXNPFEDSA-N 476.355 5.801 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515436442 XIRSVELCWIJYFY-UHFFFAOYSA-N 451.552 5.380 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CSc4ccccc4)cc3)n2)cc1 516270328 SDENSMBKXQTFHI-HSZRJFAPSA-N 451.576 6.464 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517176419 ZELGYWRTVDMTNT-NRFANRHFSA-N 486.786 5.899 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccc(F)cc2)n1 517459739 RDXUSVWSFVEZKU-HNNXBMFYSA-N 457.621 6.073 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)cc1 517800947 RLCWPQGVVSCNBX-FQEVSTJZSA-N 470.941 5.035 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3c3ccccc3)c2)cc1 517844025 FYNRKDDZMLAESV-SVBPBHIXSA-N 467.569 5.113 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 519882798 AHDHIEHNFKAKPC-UHFFFAOYSA-N 467.978 5.063 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 520847162 YVHXIHVRYPJKSN-GAJHUEQPSA-N 479.552 5.255 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 520856572 KAJMPITVJCDGQR-DNVCBOLYSA-N 460.397 5.306 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cc(F)ccc1N1CCN(C)CC1 521211312 CLKMGOQTEHKCMG-LJQANCHMSA-N 473.552 5.124 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 521813122 WLKFNNOBJCZCOA-GJZGRUSLSA-N 482.606 5.468 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 523248207 NUQQQMWFORPACH-HXUWFJFHSA-N 492.535 5.662 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 524389673 VZCRGRVPZPZVDK-UHFFFAOYSA-N 471.944 6.325 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)c(NC(=O)C4CCCCC4)c3)o2)cc1 524393273 XHMVVSMXYRXQDL-UHFFFAOYSA-N 461.493 5.640 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)n2)cc1 524680226 PZNGYOQFUCJPHZ-UHFFFAOYSA-N 472.501 5.824 30 20 JKED C=CCn1c(SCC(=O)NC(C)(C)Cc2ccccc2OC)nnc1-c1ccc(Cl)cc1 557155474 OQIQLSYCOYWLFK-UHFFFAOYSA-N 471.026 5.023 30 20 JKED Cc1cc([C@@H](C#N)C(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)nc(C)n1 589830072 FWPWFXHCSIFPAT-QGZVFWFLSA-N 493.411 5.296 30 20 JKED Cc1cc(N(CCC#N)C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1Cl 603504541 QXODLYYHFGLCGU-UHFFFAOYSA-N 462.962 5.034 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)cc1Cl 603758888 MQMLKIWMQSYVJD-GOSISDBHSA-N 479.410 5.264 30 20 JKED C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1)c1ccccc1 603763849 IRGXYOPBDGFZBA-IBGZPJMESA-N 498.564 5.037 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1OCC(=O)N1CCCC1 603829076 HRUANLWGQUSMKF-XMMPIXPASA-N 499.571 5.020 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(OCc4ccccn4)cc3)cn2)cc1 603829150 KSHTZESQQDPCKP-UHFFFAOYSA-N 451.486 5.041 30 20 JKED Cc1nc(-c2ccc(CNC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)s2)cs1 604463848 QEQHVAXEQBDBAX-UHFFFAOYSA-N 474.567 5.099 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1C 608878696 LRTOKIOSXLEWAQ-QFIPXVFZSA-N 483.616 5.656 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609110903 YTNKGIYHCIBBEU-DEOSSOPVSA-N 491.588 5.075 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)c2)cc1 609208833 HVSRFWFHWJCWNM-UHFFFAOYSA-N 494.473 5.359 30 20 JKED N#Cc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)c(F)c1 609256825 JQZMWRLHWKVRTJ-UHFFFAOYSA-N 458.276 5.051 30 20 JKED COc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OC 609386990 CDTQZIARFZRUQK-CYBMUJFWSA-N 453.486 5.167 30 20 JKED CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4ccccc4SC[C@H](C)C#N)CC3)c[nH]c12 609403446 XJEBCAGOEVIYIK-GOSISDBHSA-N 474.630 5.327 30 20 JKED CN(Cc1ccccc1OC(F)(F)F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804567 QPECNSSNSNMIGK-ITGUQSILSA-N 466.344 5.636 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612805238 FZULAVJVDNIMFR-WDNDVIMCSA-N 450.345 5.756 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612806163 VYSUHELSJOAMLU-IMRBUKKESA-N 498.361 6.135 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OCC)c1OCC 612894736 NBKFHAIDPKWPJK-IBGZPJMESA-N 450.560 5.805 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc(-c2ccc(Cl)cc2)cs1 613319842 MHQGXAVJXWIEKO-SFHVURJKSA-N 463.971 6.267 30 20 JKED C=CCn1c(SCc2csc(-c3cnn(C)c3)n2)nnc1-c1ccc(Br)cc1 613940190 UNWLLFDSHXSJOU-UHFFFAOYSA-N 473.425 5.043 30 20 JKED C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(OCc2ccccn2)c1 616055799 CAGBCCNOIUJOFA-SFHVURJKSA-N 453.464 5.091 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc1 642166243 SOZXYFGYCQSYAL-UHFFFAOYSA-N 453.873 6.133 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@@H](C)c1ccc(Cl)cc1Cl 726400020 YIQMNUMBNSTGMV-MXZMGBPJSA-N 498.407 5.169 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC)c(F)c1 726412492 RUWWFYTXMHRNHT-FQEVSTJZSA-N 461.534 5.124 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)Cc1ccco1)c1cccs1 726422530 XBFDDWXSDDPCRO-RTUFRTGVSA-N 467.616 5.362 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(OC)c(Cl)c1 726893109 XTGVUBUKFJDUBR-KRWDZBQOSA-N 496.814 5.091 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3cc(-c4nc5ccccc5s4)nc4ccccc34)CC2)nc1 727342510 MYUIDYBEQSMKJS-UHFFFAOYSA-N 490.592 5.177 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C\c2ccccc2Br)cc1 727354722 JMYGPSSXKXCNFF-NALLFNBYSA-N 453.361 5.517 30 20 JKED COc1ccc(Br)cc1-c1nc(COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cs1 728347775 JJOHZCUEWWVYEX-FQEVSTJZSA-N 498.402 5.165 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CCCCC#N)C2=O)cc1 728778565 TUSKBDFVTUSCQW-QHCPKHFHSA-N 478.618 5.436 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1F 728780272 PHDJCMACVAMQGG-HSZRJFAPSA-N 492.551 5.772 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3scnc3C)C2=O)c1 729143398 QTWNUCWYHPXSKC-NRFANRHFSA-N 494.642 5.237 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1 729145334 KIXCWIXUDLLEJL-FQEVSTJZSA-N 482.606 5.314 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3scnc3C)C2=O)c1 729145533 LIBLBOPEENIOIO-VHBQYICQSA-N 498.699 5.720 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1c(C)cc(C)cc1Cl 729668322 HFTSZAOWUYYXBW-UHFFFAOYSA-O 471.986 5.237 30 20 JKED CS(=O)(=O)Nc1cccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 729819202 GGOQCAHSJBCMMQ-KTKRTIGZSA-N 452.479 5.097 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCc2ccc(C#N)cc2F)c(C(F)(F)F)c1 729877712 AKILQYYIGMQSDE-UHFFFAOYSA-N 452.408 5.385 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 729888056 BRQPEHBCNXFWJW-HKUYNNGSSA-N 490.387 5.687 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 731075564 FIRWEMYTHROTHY-CQSZACIVSA-N 489.384 5.226 30 20 JKED N#CCSc1ccccc1C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 731349277 NGZCWXKFZPWVBN-UHFFFAOYSA-N 456.571 6.077 30 20 JKED COc1ccc(OCc2nnc(S)n2N=Cc2cccc(OCc3ccccc3Cl)c2)cc1 744739022 AFEMSZQUWGKDOM-UHFFFAOYSA-N 480.977 5.269 30 20 JKED CCc1noc(C)c1C(=O)N1C[C@@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 745867943 QWZSMPIRDMXEJO-FQEVSTJZSA-N 450.520 5.380 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1nc(-c2ccccc2)cs1 796169285 AKAOVGBPYXKQAL-NRFANRHFSA-N 497.605 5.678 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)c(Cl)c1 799216047 ZSITYITWRQRHBG-INIZCTEOSA-N 484.767 5.379 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)c(C)c1 837422790 PJBCRNUSYWWNSH-DEOSSOPVSA-N 478.662 5.137 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837745406 SZTDDMZASKKLOH-WAIKUNEKSA-N 490.560 5.145 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2cccc(F)c2)C1=O 914772564 DTQMHUZQXFHHGL-QHCPKHFHSA-N 477.561 5.303 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 915103881 HKIGKJBNYZSCAS-YOEHRIQHSA-N 475.467 5.183 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)c(C(F)(F)F)c1 916055338 JOIIONXLUSMCKU-UHFFFAOYSA-N 466.828 5.438 30 20 JKED COc1cccc(-c2nc(/C=C(/C(=O)Nc3ccc4c(c3)OCCO4)C(=O)c3ccccc3)cs2)c1 916156041 AEYDPVQVRFZLQV-HZHRSRAPSA-N 498.560 5.495 30 20 JKED COc1cc([C@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(F)cc3)=C2C(C)=O)cc(OC)c1OC 916159000 CHLHSBLMIGLDES-RUZDIDTESA-N 490.531 5.118 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1cccc2ccccc12 916210246 YSCPMOLICMCPRP-OFNKIYASSA-N 477.561 5.118 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(CCc2ccccn2)C1=O)Nc1ccccc1F 916210254 YTXVLGMWSNXLTH-NRFANRHFSA-N 482.968 5.077 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)cc1 916628449 SMODWTRMCTYUNR-QHCPKHFHSA-N 493.654 5.102 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1 916885019 KMJZABQNPQYENI-XTNYPIGLSA-N 460.761 5.738 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(OC)ccc(Br)c2[nH]1 916905546 DPDSLMKDDCUXSU-INIZCTEOSA-N 468.351 5.025 30 20 JKED N#C[C@H](C(=O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916912456 ZHYJGEZGSVGHRO-LJQANCHMSA-N 454.404 5.224 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1Cl 916940364 KWOFXCFAGHEFFT-FQEVSTJZSA-N 469.324 5.542 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1 916947899 BYKSUVQXQQHGBE-XTJBDQBJSA-N 459.590 5.017 30 20 JKED COC(=O)c1c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)[nH]c(C(C)=O)c1C 916995187 BZZWHBONYBWHEW-CQSZACIVSA-N 490.368 5.162 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2cc(Cl)ccc2s1 917045946 DMWNYIZJWIDTCT-OAHLLOKOSA-N 477.920 6.511 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1 917208052 WKXNEPUHODEZNU-UHFFFAOYSA-N 491.564 5.242 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2cccc(Br)c2)c1=S 917482596 KMEAHLKXQMGTLC-LJQANCHMSA-N 456.413 5.219 30 20 JKED O=C1/C(=C/c2csc([N+](=O)[O-])c2)CC2(C/C1=C\c1csc([N+](=O)[O-])c1)C(=O)Nc1ccccc12 917517786 KXCWJYYUURBYES-IAGONARPSA-N 493.522 5.346 30 20 JKED CC(=O)Nc1ccc(-c2csc(=Nc3ccccc3C#N)n2Cc2ccc(C(=O)N(C)C)cc2)cc1 917647796 PDIROEYGIDZVIO-UHFFFAOYSA-N 495.608 5.029 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917671103 LBYSOPCDWSANTH-OYRHQHFDSA-N 490.673 5.199 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N([C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917677796 XHELBBAIMVPTDC-SDHOMARFSA-N 490.673 5.199 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)ccc1F 917703757 PBEJMNJLYAUQAO-QHCPKHFHSA-N 490.535 5.305 30 20 JKED CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 918311009 QZGGGFUJLUNJJI-RUZDIDTESA-N 489.019 5.439 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)C(C)(C)C#N)c3C#N)C(C)(C)C2)o1 919350427 SUKYTELUHRDXTN-VQHVLOKHSA-N 463.559 5.331 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(C)o2)CC3(C)C)n(C)n1 919587316 KRWIITJHGIUMSS-CLFYSBASSA-N 490.585 5.137 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1=S 919951491 KDPURMDCRSLFNI-UHFFFAOYSA-N 482.053 5.035 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)n2)cc1 920143594 YGLRKUCKPNNEMG-LJQANCHMSA-N 460.971 5.878 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3cc(C)on3)C2=O)cc1 920351899 FHWBYYMDWYBTMP-DEOSSOPVSA-N 484.581 5.605 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3c(C)noc3C)C2=O)c1 920354223 AUHNXPKQGSHODP-QFIPXVFZSA-N 462.575 5.069 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccc(F)cc2)no1 920354389 CJKYJLDTOIKAAP-HSZRJFAPSA-N 488.544 5.436 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cc(C)on3)C2=O)cc1 920355523 NBUAUNPGEIMNLE-QHCPKHFHSA-N 492.601 5.159 30 20 JKED CC(C)(C)NS(=O)(=O)c1ccccc1NN=Cc1cccc(NC(=O)c2ccccc2Cl)c1 920378006 MPIRUNQNOVZVPU-UHFFFAOYSA-N 485.009 5.115 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 920974569 FQKYSDBHUDUFIS-LJQANCHMSA-N 454.530 5.669 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC#N)c2ccccc2)c(Cl)cc1Cl 920976289 LCTZBWQESROTOX-UHFFFAOYSA-N 488.396 5.379 30 20 JKED C=CCN1C(=S)N[C@H](c2ccc(O)c(Cl)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 921294745 NRZWCADBHLFNSH-LJQANCHMSA-N 481.927 5.394 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCc4cc(OC)ccc4C3)CCC2)cc1 1786366140 MXJLFGXHRIKXFU-QFIPXVFZSA-N 490.644 5.307 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1786371574 OGKCUWNJKZAGIH-HXUWFJFHSA-N 455.558 5.087 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cn5c(Cl)cccc5n4)cc3)CCC2)cc1 1788938454 RURWAMVHPMXWMQ-UHFFFAOYSA-N 497.986 5.240 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)ccn4)cc3)CCC2)c1 1789828528 XKOTZBAWMDRULG-UHFFFAOYSA-N 494.473 5.042 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cccnc5n4)CCC3)cc2)c1Cl 1790083665 DYPPFMYZYPBCMA-UHFFFAOYSA-N 481.943 5.216 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn5cccc(F)c45)CCC3)cc2)c(Cl)c1 1790767668 GKIJFGTUTSOKGD-UHFFFAOYSA-N 487.922 5.060 30 20 JKED Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)c1 1790816667 VJQOHJCOCCARDZ-UHFFFAOYSA-N 488.588 5.394 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)cc2)CCC1 1791478251 YYXJUZREZUPUDN-FCHUYYIVSA-N 465.391 5.100 30 20 JKED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCCCCCCCCc3ccccc3)[C@H]2C1 1792205689 WRDGGJKZOTZZFG-QKDODKLFSA-N 481.681 5.023 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1793575653 CGFXLCKBNOIEJL-SPGPFUFCSA-N 482.571 5.119 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 1797278331 JVHHLNRFEIHQDZ-QEIWAGNOSA-N 486.575 5.339 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c[nH]c3cccc(Cl)c23)cc1C#N 1798246214 UTKDNMNMXUEDCB-ACDBMABISA-N 490.991 5.046 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2[nH]c3ccoc3c2-c2ccccc2)cc1 1799113924 QVDYOEVSMJRJDU-BKFWDETESA-N 492.579 5.184 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F 1800704356 AYVVKKAAHGFNIA-WOZUAGRISA-N 485.600 5.193 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 1801235959 GUVHAVVQVDCNIQ-KAOXLYBCSA-N 489.701 5.091 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1803093680 WDWFVOJZEUCTPA-WMZHIEFXSA-N 489.513 5.328 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCC(C)(C)C)C2 1804409696 WPVTZOJWDYZSJS-IFVAXTLGSA-N 489.701 5.091 30 20 JKED Cc1ccc(CCC(=O)N2CCC3(CCCN(C(=O)Cc4ccc(C#N)cc4)C3)CC2)c2ccccc12 1804945561 IVQDAADVAZVSOO-UHFFFAOYSA-N 493.651 5.426 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)C1 1805454887 JEPZBPSREZKOQH-UHFFFAOYSA-N 457.618 5.362 30 20 JKED C=CCOCCCC(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1 1805934387 FWPJDIVRDYLEGZ-UHFFFAOYSA-N 494.598 5.242 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1809205028 AVMBICJULUBWHR-HFZDXXHNSA-N 489.019 5.371 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1809205034 AVMBICJULUBWHR-QFQXNSOFSA-N 489.019 5.371 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809213009 PTQHXTRANSKTLP-OXQOHEQNSA-N 489.975 5.481 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1810178488 QWMMQQRSRCHFMC-IMSXRSKXSA-N 485.550 5.497 30 20 JKED Cc1ccc(S/C=C/C(=O)NC[C@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)cc1 1810247519 UYVJMBLJOUNRDO-MSDMCYFMSA-N 496.636 5.082 30 20 JKED C=CCSCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810400272 NLJRUHWBRLPJSE-UHFFFAOYSA-N 499.680 5.666 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2c(F)cccc2Cl)[C@H]1c1cccnc1 1810493018 TXDDNFKUXTVXDX-CYFREDJKSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)nc2Cl)[C@H]1c1cccnc1 1810667859 WKABFUURUKPHLQ-YLJYHZDGSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1812128638 GKMHOOZVGNKIHH-CVDCTZTESA-N 464.635 5.245 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1812671160 YHDOZPNSUAUGKE-WIOPSUGQSA-N 493.529 5.419 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccccc3)CCC2)[C@H]1c1cccnc1 1812987879 YDIBLWKOGIIKHN-ILBGXUMGSA-N 459.634 5.202 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cc(Br)ccc3Cl)[nH]n2)C1 1814397218 KXFTWMOPGGHMIF-LJQANCHMSA-N 491.817 5.027 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)[nH]n1 1814443191 PEUWSALSASTGEH-FQEVSTJZSA-N 464.566 5.468 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccccc3)CCCC2)n[nH]1)C(F)(F)F 1814684905 LZXPFOCPWNMXOJ-LJQANCHMSA-N 460.500 5.032 30 20 JKED COc1ccccc1CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1815012387 CDQLEKQMVOSPBB-QHCPKHFHSA-N 494.712 5.094 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCCC2(F)F)n[nH]1)c1ccc(O)cc1 1815353125 OOHVCYAXDULOBY-LSWJPFSZSA-N 498.574 5.130 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1)c1ccc(O)cc1 1815558113 LZPKEHKHNANZMW-WBWMCNGVSA-N 488.563 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(C)cc23)n[nH]1 1815793060 OGGAOWAWAOGWNW-RDPSFJRHSA-N 459.594 5.203 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)s3)n[nH]2)c(Cl)c1 1816398284 AEXFIIISQCHQAH-INIZCTEOSA-N 474.373 5.269 30 20 JKED Cc1ccc2oc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)cc2n1 1817692289 KNZCHAFTGJCXLY-OPAMFIHVSA-N 482.544 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)[nH]n1 1819306661 BUVALVTZXBCFHQ-AXGAPPBBSA-N 462.619 5.058 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc(F)c(F)c(F)c2)[nH]n1 1819309517 CSYZXNJSVVMYJJ-AQFFIDQGSA-N 472.511 5.301 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c(-c3cccc(OC)c3)c1)CC2 1819595989 GYEFWXXCMCOTAF-FPOVZHCZSA-N 490.629 5.141 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820219992 CPCBPUVBNBAJKS-NRFANRHFSA-N 496.087 5.292 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)cc1 1821179299 ACVDLPRFCVMDRP-HXUWFJFHSA-N 482.371 5.402 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CC=CCC1 1821242681 MZIOYZNVAWQUQO-GBXCKJPGSA-N 496.409 5.096 30 20 JKED C[C@]1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CC=CCC1 1821242683 MZIOYZNVAWQUQO-RDPSFJRHSA-N 496.409 5.096 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2OC)n[nH]1 1821844641 ASDWIRBFVVDKBW-OAQYLSRUSA-N 471.001 5.075 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)[nH]n1 1821925500 UWZHLJUXTWDQQJ-KKSFZXQISA-N 499.587 5.414 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)[nH]n1 1822393691 BEGNEYVEGLDPNR-WNJJXGMVSA-N 497.643 5.079 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)[nH]n1 1822405559 RDXAUDRNESMTJB-QFIPXVFZSA-N 498.505 6.103 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CSc3ccccc3)[nH]n2)c1 1823210346 AEELSKLDRRWMMC-FDDCHVKYSA-N 473.602 5.135 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)CC1 1823292526 MQEKNFVECKKDSB-XXBNENTESA-N 475.593 5.121 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823682777 FOTNBTDHOMDKSR-CUNXSJBXSA-N 489.685 5.291 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)C1 1823702403 MCLISOPMIJLTNQ-XMMPIXPASA-N 471.601 5.627 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824875601 JBDCJWGRPKJTOA-LJQANCHMSA-N 496.467 5.810 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825961189 QBLXDLQTMMEHHU-TZIWHRDSSA-N 466.544 5.609 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1827855487 ZLABWCAGSYEUOL-JOCHJYFZSA-N 487.522 5.220 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccccn3c2C)CC1)c1ccccc1 1828076662 CIMIAHSYPRUXJI-KAYWLYCHSA-N 496.655 5.073 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c1 1828134650 VGHFUEAVOOTWMR-DVECYGJZSA-N 486.641 5.470 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c1 1828261545 PBBRAOUNHBEVJM-IBVKSMDESA-N 469.585 5.607 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1828827598 QBAUPUOXWJGJIM-DHIUTWEWSA-N 462.556 5.707 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1828828155 DOENLZOCHQHFGX-AZUAARDMSA-N 452.517 5.300 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1828828614 NSYHYCFGXPBALW-NZQKXSOJSA-N 451.636 5.298 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689817 RHZYBVGJLWKYSF-QHCPKHFHSA-N 496.055 5.099 30 20 JKED CN(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1830032027 NHHQPJQTXIFHBT-SANMLTNESA-N 481.757 5.037 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830416622 KUFGCCRWKOVSCQ-AJTFRIOCSA-N 491.632 5.513 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830418204 PXQVLJUKCFUCOX-HTAPYJJXSA-N 482.452 5.336 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1830632575 RFFULLCPVPTPHQ-XMMPIXPASA-N 485.962 5.231 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c(Cl)c1 1830720670 FOYFKRKHYQJTBF-QUVATAORSA-N 493.957 5.178 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)oc2ccccc12 1830825232 BCIDAJJQGYHDSV-XMMPIXPASA-N 495.583 5.036 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830987951 OVCLWQNHKFNVTK-QHCPKHFHSA-N 481.434 5.249 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCCCC2)CC1)c1ccc(O)cc1 1831920385 DDYOTNUNEQXBOE-AHKZPQOWSA-N 464.650 5.089 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 1832030058 FFSLTXYDNKPDFX-QFIPXVFZSA-N 493.873 5.529 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CCC1 1832490053 WULGOFMIGHWEOF-NRFANRHFSA-N 490.570 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cccs3)CC2)c1 1832631148 RVIIJOVFHZJABT-FZJPEPRQSA-N 461.631 5.322 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c1 1832632220 MVDRXEKDDBWDBF-UQBPGWFLSA-N 486.641 5.470 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)CC1 1832666123 SXKSZWFVUZBPCG-IFMALSPDSA-N 459.030 5.350 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)CC1 1838571386 CAIIRENAVHGONK-QFIPXVFZSA-N 476.617 5.303 30 20 JKED CCCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1cccc(C)c1 9935975 SBEMRBNGVDUEMF-UHFFFAOYSA-N 453.999 5.356 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(C#N)c2)NC(=O)N1c1ccc(C)cc1 10353242 XPIMKKKSXQHTKK-XMMPIXPASA-N 490.485 6.069 30 20 JKED OC1=Nc2ccc(F)cc2/C1=N\Nc1ncnc2cc(-c3ccc(Br)cc3)sc12 19342652 FTTHTQAEAUWQSO-UHFFFAOYSA-N 468.311 5.678 30 20 JKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 21458724 KFWDGYRAKPSDPI-TXBZQZDDSA-N 495.579 5.086 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1-c1ccc(C)cc1 22137337 ZEWSBBNUXFJVFU-IBGZPJMESA-N 475.618 5.075 30 20 JKED CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C#N)c3)n2[C@H](C)c2ccccc2)cc1 28609308 CTQPFGLTMWTQNY-HXUWFJFHSA-N 497.624 5.631 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)NCc2ccccc2)cc1 28777439 ROSUKXSRUGWZFK-UHFFFAOYSA-O 482.467 5.763 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)n1 29589868 MGDMWUBQKKUPFV-SNVBAGLBSA-N 462.478 5.692 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)NC(c1ccccc1)c1ccccc1 33148832 CGZIJAVJKBZJFL-UHFFFAOYSA-N 465.347 5.004 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)nc2sccc2c1=O 36848820 SIMVAKKHIIBATF-UHFFFAOYSA-N 484.628 5.086 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 106081025 WYFMPYNXLLYCIT-CQSZACIVSA-N 473.360 5.549 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 107659287 LKLDHFHKHGBSQM-RUZDIDTESA-N 454.961 5.979 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3ccccc3Br)o2)sc2c1CCCCC2 107956244 XEQUTSBLJABDNE-UHFFFAOYSA-N 489.420 5.432 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 195699384 RECAIBTZNFXXQU-UHFFFAOYSA-N 454.905 5.504 30 20 JKED CCOC(=O)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 254340452 KKFBLNMRJSAFAA-UHFFFAOYSA-N 457.555 5.289 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)ccc1Oc1ccc(F)cc1 486803383 XWAOALHAERSNMT-UHFFFAOYSA-N 496.498 5.240 30 20 JKED C[C@H]1Sc2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc2NC1=O 487386316 MSWFBNQPPIXVNP-LLVKDONJSA-N 488.516 5.309 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 487993030 MBBFYNYVNFMBQN-UHFFFAOYSA-N 469.541 5.854 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 487994184 QPDWAOCLTBLPQW-XMMPIXPASA-N 489.978 5.432 30 20 JKED N#CCCn1cc(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 500922410 JBDSLXKEWYTHFL-UHFFFAOYSA-N 477.952 5.267 30 20 JKED COc1cc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc(OC)c1OCc1ccccc1 500996529 KKWWLALNSKFWBF-UHFFFAOYSA-N 468.509 5.594 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 502688828 AIQJWFJEIQLHOZ-OAHLLOKOSA-N 479.901 6.149 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nnc1-c1ccccc1F 503739182 OGDNFPWIKFVUSW-SFHVURJKSA-N 450.583 5.190 30 20 JKED C=CCn1c(SCc2csc(CC(=O)OC(C)C)n2)nc2sc3c(c2c1=O)CCCCC3 506645871 LPUXGVLWNCLWPP-UHFFFAOYSA-N 489.688 5.156 30 20 JKED N#Cc1c(NC(=O)CCN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)sc2c1CCC2 507887827 AITTXQKUEJLADF-LJQANCHMSA-N 491.444 5.237 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCSc2ccc(Br)cc2)cc1 508143542 OSPDJMWOUONWHY-UHFFFAOYSA-N 459.409 5.384 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)cc1 508288237 MJWMMCMMGOSIME-UHFFFAOYSA-N 490.585 5.155 30 20 JKED Cc1nc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)sc1SCC#N 508981558 PEPFKMQUTSBUDW-FCEUIQTBSA-N 490.654 5.632 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)c2)cc1 508984534 XFOPEXUNDODSID-UHFFFAOYSA-N 495.436 5.323 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCCSCc3ccccc3C#N)c2)cc1 509856378 UHVBFQUYQULEMI-UHFFFAOYSA-N 456.571 5.258 30 20 JKED C=CCn1c(SCC(=O)N(C)c2ccc(Br)cc2F)nnc1-c1ccc(Cl)cc1 511502312 CASHBPPYRVFRJE-UHFFFAOYSA-N 495.805 5.441 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 511514092 RFTRZGIROBTLJM-OAHLLOKOSA-N 452.436 5.712 30 20 JKED CC(C)[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc2c(c1)OCCO2 511532697 QKRPERAQOTWHED-RUZDIDTESA-N 470.529 5.101 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511779945 HCNYRVQBYPXEPX-MUUNZHRXSA-N 481.596 5.270 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc12 513687169 NAYSIXPRIIRLNC-KRWDZBQOSA-N 462.987 6.208 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 515172198 TXISHWGNADCOBH-UHFFFAOYSA-N 466.453 6.007 30 20 JKED N#Cc1c(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)sc2c1-c1ccccc1CC2 515624483 DPYBDHXIRGPAQX-UHFFFAOYSA-N 452.461 5.393 30 20 JKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 516016778 BFVWJKKCJXJOOK-HNNXBMFYSA-N 468.340 5.815 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 516388781 PHIIPSINCULLSO-OAQYLSRUSA-N 477.586 5.395 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)n2)cc1 517801179 ZJSBEIOUDSJBCG-GOSISDBHSA-N 476.508 5.261 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc(-c3ccc4c(c3)OCCO4)nc21 518124149 ZBSHXDYDTACHFL-UHFFFAOYSA-N 484.560 5.131 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)n1 518664026 DXRVAXKAKPVNKJ-MRXNPFEDSA-N 491.421 6.409 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(O)c2c(-c3ccco3)csc2n1 518666796 JJTACKQQMKBGRJ-CQSZACIVSA-N 496.639 5.781 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2C)nnc1-c1ccc(Cl)cc1 519050548 XTELKZLXOANQEX-QGZVFWFLSA-N 498.052 5.352 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2ccc(F)cc2Cl)cc1 519441561 MVZYKPDXHQFZGZ-QHCPKHFHSA-N 481.980 5.638 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 520145021 ONPQWEIWERCNBF-AREMUKBSSA-N 494.595 5.586 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)c1 520197410 CZNNKRKVTJUQAW-UHFFFAOYSA-N 474.948 5.384 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 520317521 RTXYJZWTPHYUPF-NSHDSACASA-N 481.427 5.291 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 520936230 VQKQFTUJLRYQAI-UHFFFAOYSA-N 462.421 5.364 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@]34CCC(=O)N3c3cc(Cl)ccc3S4)c2)c1 521249282 RZOMZMICSQUTOU-RUZDIDTESA-N 488.956 5.031 30 20 JKED N#C[C@@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1cccc(Cl)c1Cl 521292309 MBOATEZCBNMKKK-CYBMUJFWSA-N 487.231 5.864 30 20 JKED C=CCn1c(SCC(=O)Nc2nccn2Cc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 523284800 FBOFIUUNSYAZOQ-UHFFFAOYSA-N 499.427 5.414 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)s1 524440601 VUQGKDUDNNZGGD-UHFFFAOYSA-N 495.004 5.151 30 20 JKED Cc1ccccc1-n1c(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccncc1 589938972 IIJMOINBOLERJW-UHFFFAOYSA-N 474.977 5.284 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 591862531 UOGKECDTAKFZEW-SFHVURJKSA-N 481.455 5.696 30 20 JKED C=CCn1c(SCc2c(C(=O)OC)sc3cccc(F)c23)nnc1-c1ccccc1OC 600856947 TYNXOUPPJHBBDW-UHFFFAOYSA-N 469.563 5.572 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 604007541 UKNTVTRMXYPZNJ-HSZRJFAPSA-N 497.942 5.782 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 604089574 FOKHCBWKRNZLGK-QFIPXVFZSA-N 477.948 6.390 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCC2)cc1Cl 604136840 BKUCDRHBCHHCGN-HSZRJFAPSA-N 457.961 5.172 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1 604406620 DMJIMLSXCLPSRV-UHFFFAOYSA-N 474.605 5.024 30 20 JKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1NC(=O)c1ccc(Cl)cc1F 608915893 DPPJMRDMHKMXES-UHFFFAOYSA-N 494.954 6.054 30 20 JKED COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCc1ccncc1 608918431 LFDAEWVLAIADDN-FQEVSTJZSA-N 458.562 5.222 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C 609085463 FKNRWYUTAYUCLF-VWLOTQADSA-N 455.558 5.288 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)cc1Cl 609206267 HCMLOVWRGOKJCB-DEOSSOPVSA-N 494.039 5.624 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)c2)cc1 609209158 ZJAQFFJHBMQVAL-UHFFFAOYSA-N 494.473 5.359 30 20 JKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(OCc2ccccn2)c1 609209821 OWGGOKIDBQCMLZ-FQEVSTJZSA-N 464.525 6.207 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 609376517 BIZAJRDYDUNFPO-WKJFVQFFSA-N 483.637 6.057 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 609437059 NIJQWEJAOLRDAA-LJQANCHMSA-N 458.587 5.224 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622092901 KZPCQMSFIDJABW-SWHYSGLUSA-N 464.372 6.317 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 626581660 FCQORYKLSZALAQ-UHFFFAOYSA-N 463.538 5.153 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2ccc(C)cc2)N=C1C 725764202 UHESCLLERGBJOG-UHFFFAOYSA-O 482.629 6.267 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 725994246 DOWSWWZGVFTTAG-UHFFFAOYSA-N 465.840 5.149 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2c(F)cccc2F)n1 726321429 JWEQLNVCVUMQCK-LBPRGKRZSA-N 452.269 5.356 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\[C@@H](C)c1cccs1 726421185 LVAJXHKFUVLPAZ-HJUSMACFSA-N 473.664 5.181 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(F)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 726438297 UHHFXAKHBRQHKY-UHFFFAOYSA-N 493.507 5.436 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C\c3csc(N(C(C)=O)c4ccc(F)cc4)n3)SC2=S)c1 726628233 ZXSCNPUJQGRGCC-UDWIEESQSA-N 479.583 5.354 30 20 JKED C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728029352 OTKDDHCIFSGYSM-KRWDZBQOSA-N 463.921 5.044 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)c2)cc1 728668516 WUUURTAKTVGDRS-VWLOTQADSA-N 498.535 5.032 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)COc2ccc(C3SCCCS3)cc2)cc1 728724216 ZLQKQQPAHMERHD-LJQANCHMSA-N 484.643 5.121 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3)C(=O)N2CCCCC#N)c1 728779462 HYARFVXQJGRBGH-QFIPXVFZSA-N 492.601 5.162 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c(C)c1 729144802 ZCODFHGDLVKZGZ-FQEVSTJZSA-N 482.606 5.368 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3\Cc4c(C)cccc4C3=O)cc2OC)cc1 729148900 BRABGOJCCNSJDV-XSFVSMFZSA-N 457.526 5.242 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(SC(F)F)cc1 730487915 CXMCWBJKHBUEMN-HKUYNNGSSA-N 491.585 5.141 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cocn2)cc1 730716004 NQCSRXHJGQUUKA-HSZRJFAPSA-N 492.601 5.186 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730720963 XNKFZGMKFHWYFV-OAQYLSRUSA-N 482.993 5.359 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Br)cc1Cl 731073123 AXANUZRQMLLCPH-LBPRGKRZSA-N 467.772 5.292 30 20 JKED COc1cc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731073997 ITLQOZDJUBOWKE-INIZCTEOSA-N 466.584 5.471 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)cc1F 731077229 HDJZEGURDRYJBG-MRXNPFEDSA-N 466.509 5.822 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 731129655 ZIJQRRODOAXJOJ-KXBFYZLASA-N 461.509 5.259 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)cc1C 731310376 GRNSTZAPRSCSRX-WZONZLPQSA-N 474.586 5.126 30 20 JKED CCN(CC)c1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1F 731345581 BXDNPTZXKRILDQ-UHFFFAOYSA-N 490.604 5.204 30 20 JKED C#CCN(C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C1CCCCC1 743689759 LBNFLUMKWJGMSE-KRWDZBQOSA-N 465.644 5.480 30 20 JKED C[C@H](C#N)CN(C)Cn1nc(COc2ccccc2F)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1=S 746706541 MNLIFPXVPLVYGJ-SWBPCFCJSA-N 457.619 5.178 30 20 JKED CCOC(=O)Nc1nc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2s1 746850522 JSTKAMBJYPEPHZ-UHFFFAOYSA-N 488.573 5.511 30 20 JKED COc1ccc(C=NNC(=S)Nc2ccc(SC(F)F)cc2)cc1OCCCC#N 747357899 YLAQVOSKEHCIDS-UHFFFAOYSA-N 450.536 5.013 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cc(C)cc(C)c2)n1 748034562 CTTKWADGOYZASZ-JOCHJYFZSA-N 492.576 5.007 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(C)cc2OC)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 797293803 XRQUQSWGOIZOGK-XFXZXTDPSA-N 499.485 5.945 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cccs3)C2=O)c(OC)c1 837394870 IZJXCSGVYYRJJP-QFIPXVFZSA-N 495.626 5.234 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cc(C)cc(C)c2)cn1 837641569 XLZCSQQTFIWTLD-JOCHJYFZSA-N 492.576 5.007 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1cccnc1 838191613 FCXDMIJYEZUIBT-UZUQRXQVSA-N 476.577 5.505 30 20 JKED Cc1cc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)nn1-c1cccc(C#N)c1 904492694 OKMSGUNMZRPJLO-UHFFFAOYSA-N 457.497 5.167 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913118796 BZPRTIBZNFYBPD-IBGZPJMESA-N 491.400 5.098 30 20 JKED CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1 914510727 VDALGNYKSPVAIE-UHFFFAOYSA-N 478.570 5.027 30 20 JKED Cc1cc(Br)cc2c1NC(=O)C2=NNc1ncnc2scc(-c3ccc(F)cc3)c12 915049176 KVQJDSLVJSNMLD-UHFFFAOYSA-N 482.338 5.337 30 20 JKED C=CCN1C(=S)N[C@H](c2cccc(OC)c2OC)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916168411 ZYTMGTDPORTQSW-HXUWFJFHSA-N 491.535 5.053 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C)s2)c1 916396445 QJUNKMIBHMLLAJ-UHFFFAOYSA-N 491.034 5.030 30 20 JKED COc1ccccc1[C@H]1[C@H](C(=O)Nc2cccc(OCC#N)c2)CCC(=O)N1c1ccc(C)cc1 916410991 LOVJWHCKJHLJEZ-SQHAQQRYSA-N 469.541 5.029 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916885849 CLZDKDQIMUOXAU-MRXNPFEDSA-N 477.945 6.048 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 916915626 MMJCOPNOECDDFB-XMMPIXPASA-N 453.542 5.551 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCCC(C)C 916915901 KTMKTHMHJCAQJP-HXUWFJFHSA-N 464.949 5.888 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c(C)nc4c5ccccc5nn4c3C)n2)cc1 916971917 GAFCWXCGFSTTAU-JOCHJYFZSA-N 465.582 5.740 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc(-c2ccc(Cl)cc2)cs1 916976158 LYULQRCUWJNYRM-LADGPHEKSA-N 484.964 6.408 30 20 JKED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 917036136 YUTOUMNEOONXLV-QHCPKHFHSA-N 482.458 5.188 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc([N+](=O)[O-])cc2)c1 917669118 NZKWAQBGWOJVHM-QFIPXVFZSA-N 492.532 5.203 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)c1 917671313 UEABKQCUKKXZBK-RUZDIDTESA-N 490.673 5.138 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917674263 PSAINBRKYKZVID-OYRHQHFDSA-N 490.673 5.199 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 920868704 LIGOVGAEVXJMFX-KUHUBIRLSA-N 497.514 5.087 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)C(F)(F)c4ccco4)CCC3)cc2)cc1 1785797338 GZMGGBCZGSXPIL-UHFFFAOYSA-N 463.484 5.010 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC(F)(F)F)c(F)c3)CCC2)cc1 1786374224 LFJJMMLPGHEQLM-INIZCTEOSA-N 494.485 5.106 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccnc4)cc3)CCC2)c1 1788280264 UDQSYKVRNJZIPK-HXUWFJFHSA-N 452.558 5.089 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)C[C@@H]21 1788736943 DBGIANYASVZTGZ-HRNNMHKYSA-N 476.617 5.065 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Sc3cccs3)cc2)CCC1 1789416919 XZDYMCUZNFMBKB-SJORKVTESA-N 459.637 5.164 30 20 JKED Cc1onc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c1C 1789507735 RPDNCYKVYLPOCM-UHFFFAOYSA-N 451.643 5.090 30 20 JKED Cc1ccc(CSCCC(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc1 1789578501 YCDBZJCFBRYFRX-RDRPBHBLSA-N 489.641 5.465 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CCC2)cc1 1790568324 WACCVPUZNBWUPX-WNXIRNOKSA-N 453.627 5.528 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4C4CC4)CCC3)cc2)ccc1Br 1790744697 PDDOMASVENFQRW-NHCUHLMSSA-N 478.390 5.115 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc2)CCC1 1790772207 CUDJUSSSJIULPP-LJQANCHMSA-N 477.605 5.596 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4F)CCC3)cc2)cc(C(F)(F)F)c1 1790785107 LFHNGSPVAJYAGF-UHFFFAOYSA-N 482.437 5.173 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccnc4)CCC3)cc2)cc(C(F)(F)F)c1 1790785349 IVMWZEQYGSEBIN-RUDMXATFSA-N 490.485 5.433 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3O)cc2)CCC1 1790807906 STLGZJDTCCLBEE-UHFFFAOYSA-N 456.542 5.295 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CCC1 1791010755 WBWGAVFBLDYHQV-INIZCTEOSA-N 494.573 5.358 30 20 JKED CCN(CC)C[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791069869 UJRGKYPHIVBNOQ-NHCUHLMSSA-N 460.622 5.039 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cc1F 1791967154 YLRPAWSYWDCPKV-ZRDIBKRKSA-N 492.572 5.012 30 20 JKED CC(C)C1(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)CCC1 1792048374 TUEKLJYEBOLJCA-UHFFFAOYSA-N 455.562 5.009 30 20 JKED CCc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123367 WJDXKKLZNASXBS-LJQANCHMSA-N 452.558 5.333 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)c1 1792124720 FBMWTFDXFUWPDT-QGZVFWFLSA-N 468.582 5.918 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1798334907 PWWOISAXQCSLQG-WLXSAPIGSA-N 495.664 5.544 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)c(F)c1 1799339615 ZSQKNRONDCMHIJ-BMIFERRUSA-N 488.584 5.245 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 1799588653 JSXWBWIQQNXNOD-QDMKHBRRSA-N 488.403 5.429 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cccc2ccncc12 1800503111 LADXINUPFXMMPP-OUOZDZGXSA-N 485.587 5.200 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[C@@H]2c2cccnc2)C1 1802406114 LIZJJDSNWNVVFB-GVXSCFBNSA-N 466.025 5.147 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1802958722 SUURWPDWPULEAD-JDXGNMNLSA-N 494.639 5.104 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1804172756 OXZAUSGZPKPJQU-WNCULLNHSA-N 489.616 5.127 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4CCC[C@H]5CCCC[C@@H]54)CC3)C2)c1 1805328452 XAURFKQJZRSYNK-KWXIBIRDSA-N 475.677 5.329 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)COc3ccc(Cl)c(Cl)c3)CC2)C1 1805453540 LHBCMYOEVYZVAT-UHFFFAOYSA-N 479.448 5.372 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)CCc3cc(C)cs3)C2)CC1)c1ccc(O)cc1 1807050311 OWCUYBFYDRSUEP-DEOSSOPVSA-N 492.685 5.123 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)Cc3cccc(CCCCC)c3)[C@@H]2c2cccnc2)C1 1807468226 RZYBUJQQCCCYIU-NAKRPHOHSA-N 459.634 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1810173604 IZSBFGKAIXAFBO-BOCKYXSRSA-N 490.406 5.616 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)[C@H]1c1cccnc1 1810498405 MAYMNTLWNNMXAF-RDGATRHJSA-N 472.589 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1810499355 CHSJWZIGFQFTOC-UPVQGACJSA-N 488.657 5.517 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC4(CCN(C(=O)CCc5ccc(C#N)cc5)CC4)C3)c2O1 1810710257 XSKJNPZAKKIEBR-UHFFFAOYSA-N 499.655 5.139 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1811221242 SCDWLDLORORQDW-REWPJTCUSA-N 454.014 5.355 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1811748939 GHGMPYPZOUOMRB-GJZUVCINSA-N 493.051 5.533 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1812701138 WXXSNRGWOMKKJD-KZHJIPFUSA-N 460.622 5.245 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1813767480 CQMDEFYBKMBNOT-JXFKEZNVSA-N 482.358 5.228 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccnc3C(C)(C)C)[C@@H]2c2cccnc2)c1 1813867545 FKDJEZZJZKVBHD-UGIARPQZSA-N 495.627 5.035 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2c2cccnc2)C1 1813975924 IBQGDZPVYLNNQR-VFNWGFHPSA-N 478.807 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C23CC(c4ccccc4)(C2)C3)[C@@H]1c1cccnc1 1814290489 YSYXXWQRPVSLCM-FUZURDOLSA-N 471.645 5.202 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)cccc1C(F)(F)F 1814499891 BTJFXAXUXQLLDJ-QFIPXVFZSA-N 495.505 5.157 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)[nH]n1 1814569107 DJWGPIATPOMZBW-HXUWFJFHSA-N 494.393 5.181 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)Sc2ccccc2)[nH]n1 1814823715 FDCABVTVCORSFJ-PGRDOPGGSA-N 452.624 5.351 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)[nH]n1 1814829839 XNGFVNLZBUSNET-SFHVURJKSA-N 462.381 5.186 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3cccc(Br)c23)n[nH]1 1814949411 AZJSAURIPWLGRJ-QRWLVFNGSA-N 498.425 5.101 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815536300 SPKGMDXFCNCIKY-BBVFFXRHSA-N 482.453 5.345 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)s3)n[nH]2)cc1C#N 1816400212 DRDGUMQOINAVFF-GOSISDBHSA-N 498.008 5.403 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)[nH]n2)[nH]c2c(Cl)cccc12 1817945550 ACZLEODBINMYOY-DYESRHJHSA-N 474.030 5.113 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818117030 VCOITGVTSJVZCJ-JNCYCUAHSA-N 476.602 5.340 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)[nH]n1 1819311088 KTVNUFGNVMZCBS-NZQKXSOJSA-N 480.584 5.412 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1819356340 LNCOHGZJZBVJDM-AZBDZEDCSA-N 499.640 5.521 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)nc3)n[nH]2)c1 1820036322 BULRZPRXVYWZBT-RUZDIDTESA-N 494.530 5.102 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)n[nH]2)C1 1820080271 UCJQCXISGINECL-DEOSSOPVSA-N 480.572 5.225 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)c[nH]2)n[nH]1)c1ccc(Cl)cc1 1820306168 ROTGFHWYYLGKQP-GGAORHGYSA-N 478.984 5.009 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)(C)C)cc3)n[nH]2)c1 1821149625 YYLBKEVAQMFGOW-UQBPGWFLSA-N 499.615 5.834 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)[nH]n2)cc1 1821182802 HYNSMNDIFRXWBZ-MHZLTWQESA-N 489.579 5.762 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)n[nH]1 1821240132 XVVGPOXXGZMKLA-KOSHJBKYSA-N 482.588 5.471 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n[nH]2)c1Cl 1822574008 OOAAFZGEUGISAQ-VWPQPMDRSA-N 473.964 5.044 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823210296 BUXAYJGOMCWNMB-UJRCAEAVSA-N 497.599 5.155 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cccc4ncccc34)[nH]n2)c1 1823212011 QFWHYZAJSGQWIX-AFMDSPMNSA-N 492.583 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)[nH]n2)c1 1823212186 GLRYRVHVNZUCHI-NTKDMRAZSA-N 467.573 5.074 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212739 MXMNJCKFFSFBKC-QMHKHESXSA-N 475.980 5.618 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)cc1 1823682523 IKNBWJUASKSWHU-MHZLTWQESA-N 486.591 5.045 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(OC)c2)CC1 1824145725 KMMGNFXPSMASOU-DEOSSOPVSA-N 459.030 5.350 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824162364 WOEJCLITGPYCTB-PKTZIBPZSA-N 488.028 5.179 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1824500090 APAZBAJQJMNRRW-SFHVURJKSA-N 473.466 5.271 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 1826469745 RZPAXPXUENMUPC-RUZDIDTESA-N 470.705 5.039 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)CC1 1826681130 PZODOPUVQXJRHR-MHZLTWQESA-N 492.623 5.439 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn3c(Cl)cccc3n2)CC1 1828084619 NSBPLRXFHXXBIA-OAQYLSRUSA-N 471.045 5.213 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncoc3c2)CC1)c1ccccc1 1828298268 RMVMKVAKDJFZRL-VPUSJEBWSA-N 483.612 5.258 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1)c1ccccc1 1829034773 CJDVNOGEYKNRQW-WDYNHAJCSA-N 499.655 5.076 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)cn2)CC1 1829182077 FMXICXWDSJLYLR-OAQYLSRUSA-N 476.459 5.070 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1)C(F)(F)F 1829582316 OZTKWMXDGXNYEA-IBGZPJMESA-N 489.563 5.506 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c1Cl 1829689310 AHJZUSVNOWTHGI-LJQANCHMSA-N 476.429 5.474 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689871 AUQOENZVQPNRCC-DEOSSOPVSA-N 498.143 5.496 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)C1 1829707346 HWMQPCSQPMSCLV-HHHXNRCGSA-N 460.593 5.692 30 20 JKED CCCCCc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)CC2)c1 1829776173 XJYNDSZCCPUFHC-MHZLTWQESA-N 474.649 5.095 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 1830422813 AVDXGVUADCLYCL-SANMLTNESA-N 463.666 5.592 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1)C(F)(F)F 1830804517 HGCFXMJDMNJJPT-LJQANCHMSA-N 492.460 5.066 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307444 XCPVMOGDHWGQSM-GOTSBHOMSA-N 495.491 5.119 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccc(C)cc3s2)CC1 1831444874 YGPQMRHBXIKVAJ-LJQANCHMSA-N 461.578 5.049 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1831447144 XYUYRIDEGLHJTE-QFIPXVFZSA-N 495.570 5.873 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1)C(F)(F)F 1831454150 ZYIDYKXZFZBDPR-FQEVSTJZSA-N 468.947 5.110 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)cc1 1831748403 GZCRGRXEBYTOCE-QLUGYHCRSA-N 495.545 5.117 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1832034693 RWOSFTKDTIPHLR-BDYUSTAISA-N 454.630 5.379 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1832627549 FXNIXCMJFZZEGF-GAJHUEQPSA-N 499.442 5.563 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 1832631669 GUBMCVRPJLWCFY-PZGXJGMVSA-N 479.624 6.014 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1 1832633418 HRMQXCPZJNJAIM-PSRPIYIESA-N 469.629 5.351 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)ccnc3Cl)CC2)c1 1832634066 HNDDUUWKNGZUPP-VGOFRKELSA-N 482.987 5.048 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccsc3)CC2)cc1C#N 1832702909 OTSLBMQDHQPTFY-UPXASZCJSA-N 491.657 5.354 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc3ccc(Br)cc3s2)C1 1844062344 OXQPATQHJYVRPG-UHFFFAOYSA-N 473.436 5.249 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)C2)c1 1844627382 ZESGNKCMYKIWKF-JOCHJYFZSA-N 488.591 5.364 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 9331257 UEHSQBZGYJESMT-UHFFFAOYSA-N 471.561 5.171 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(CC)CC)cc2)cc1 10173914 ZSAVGIJYXXZNQG-UHFFFAOYSA-O 475.678 6.944 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2CCc2ccccc2)cc1 11068228 YYHWDYNTMCVMDU-IBGZPJMESA-N 483.597 5.187 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 11520434 PVEXXYJJKHVLHY-UHFFFAOYSA-N 460.390 5.311 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NCCc2ccccc2)cc1 22735242 XPRSKFLDYUELQV-UHFFFAOYSA-O 486.488 6.350 30 20 JKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 23212645 WVQOQVQNDKLUSO-QGZVFWFLSA-N 456.015 5.196 30 20 JKED CC(C)c1ccc(CSc2nnc(SCC(=O)N(CCC#N)c3ccccc3)s2)cc1 36663107 FTGJTQRYLGONRB-UHFFFAOYSA-N 468.673 5.993 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)no1 46861652 VLJGWJSHTGLCLL-NRFANRHFSA-N 458.905 5.518 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc(Br)c1OC 58762212 BTWOJNAXDZMYDQ-IZZDOVSWSA-N 461.356 5.282 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C(C)C)cc1 104596126 MDFHZQCLCFFHDJ-UHFFFAOYSA-N 484.647 5.093 30 20 JKED Cc1ccc(-n2c(SCC(=O)c3cn(CCC#N)c4ccccc34)nnc2N2CCCC2)cc1 104993863 WSHOCLDHVRUMAE-UHFFFAOYSA-N 470.602 5.019 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 106066212 OCSRTPHWMXUUPM-FQEVSTJZSA-N 458.389 5.156 30 20 JKED C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 303072358 XRYPOCDNHMKDAT-HXUWFJFHSA-N 471.626 5.775 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cc2Cl)c1 303156215 GULAQUFDSYECQM-HXUWFJFHSA-N 459.933 5.320 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 409909529 JKDBGFQUDOBREF-UHFFFAOYSA-N 480.402 5.680 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1 488419340 LESJJIWHJWXETC-UHFFFAOYSA-N 455.308 5.556 30 20 JKED COc1ccc([C@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)N2CCCCC2)cc1 497710214 FVWDKNLQIAFWBW-MHZLTWQESA-N 485.632 5.046 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1F 498379191 SYZOBTINERJENC-UHFFFAOYSA-N 482.533 5.265 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)c2)cc1 501446877 IAGLXPJOHBFIDS-UHFFFAOYSA-N 494.448 5.928 30 20 JKED C=CCN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1nc(C(=O)OCC)cs1 501936124 DGPIFZBTADZPRU-UHFFFAOYSA-N 495.651 5.934 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)cc1 503151799 LZKGEDVYYHLQQO-UHFFFAOYSA-N 468.266 5.646 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507909314 QQCUMXKHIQJOCS-UHFFFAOYSA-N 492.329 5.401 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 508788785 IVNBSAQHOSFCFY-UHFFFAOYSA-N 484.522 5.816 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)o1 509732747 DCNPUVIOLKTAKF-UHFFFAOYSA-N 452.392 5.187 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1 510664479 IRCVTFMYOFGIHM-UHFFFAOYSA-N 454.530 5.039 30 20 JKED C=CCN(C(=O)c1ccc(C(=O)N(CC)CC)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 512047248 YIBPXRGWGGUWJM-UHFFFAOYSA-N 488.440 6.432 30 20 JKED CCc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(Br)cc1 513176396 QLSBLHUFPHSPQG-HNNXBMFYSA-N 463.257 5.101 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 513673263 ZJDJLZRAFMPKPV-HXUWFJFHSA-N 450.523 5.648 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(O)c3ccccc3n2)cc1Cl 514515187 LYYXRIMPCVTLPE-NRFANRHFSA-N 456.933 5.606 30 20 JKED CCOc1ccc([C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2c[nH]c3ccccc23)cc1OC 515117786 BUGDETWGVHYTFX-DEOSSOPVSA-N 496.611 6.330 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OCCCC#N)c2)cc1 515441847 XJXWOQFFHJXPEJ-UHFFFAOYSA-N 452.514 5.483 30 20 JKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 517473616 GCVLNOQTMOODIX-MHECFPHRSA-N 463.578 6.192 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 518159558 YCDQUWRQBXYFOW-SIBVEZHUSA-N 485.609 5.108 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Br)cc1 518684793 MNZKTIGKAPTRPK-KSSFIOAISA-N 476.396 5.127 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 520099816 VASPKHQHFXTLDZ-UHFFFAOYSA-N 490.494 6.767 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 521811264 AEDWWLZSNJCMIN-QGZVFWFLSA-N 456.999 5.114 30 20 JKED CCOc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 523819091 HNMWQAZGMMOVMF-IBGZPJMESA-N 461.537 5.578 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)c1 552461118 GOALIJMYJKCMDF-OAQYLSRUSA-N 454.530 5.542 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2ccccc2Cl)c1 553008637 OHIVBPILYZXUNJ-UHFFFAOYSA-N 450.873 5.803 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)N(Cc4ccccc4)c4ccccc4C#N)CC3)c2c1C 568125077 KUSGWMSGRYSNOW-UHFFFAOYSA-N 481.625 5.630 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 597228533 XVIRSKYYKSBKDB-FQEVSTJZSA-N 495.608 5.642 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603619107 LVVXPTVPWORUQG-IBGZPJMESA-N 486.597 5.874 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603758810 IZTAXWDMTHUJOQ-LJQANCHMSA-N 466.006 6.602 30 20 JKED N#C[C@@H](C(=O)c1cccc(I)c1)c1nc2cc(C(F)(F)F)ccc2s1 603846208 DCRMOCYIDOPXHS-LBPRGKRZSA-N 472.229 5.410 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 603972365 VZDANQFQZKEHJW-UHFFFAOYSA-N 478.346 5.636 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cc2ccccc2o1 604134385 SBLBCVXXZUNTKT-OAHLLOKOSA-N 459.889 5.566 30 20 JKED CCC[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 608864630 KSNSXQKCEKMGNM-QFIPXVFZSA-N 472.511 5.479 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)c2)c1 608937983 PKNDNFCWCUNYMU-UHFFFAOYSA-N 468.582 5.602 30 20 JKED CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 609020753 VCXZVBXUZVSOAZ-QFIPXVFZSA-N 456.933 6.421 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)n2)ccc1F 609063633 IENOEJJRBJENNO-UHFFFAOYSA-N 456.477 5.206 30 20 JKED COc1ccc([C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2ccc(F)cc2)cc1 609211961 TVBXGFXXFUSFLK-SANMLTNESA-N 459.521 5.048 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609426964 CPQJZKALOMBXOR-UHFFFAOYSA-N 492.329 5.401 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1oc2ccccc2c1CSc1cccs1 609427831 RYZFDXLQTFOOAD-INIZCTEOSA-N 464.637 7.433 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 609431116 SMYMAZJPZWDIBN-JTSKRJEESA-N 479.005 6.117 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 609436649 SPWSEGKSJWWATA-GOSISDBHSA-N 477.561 5.054 30 20 JKED N#C[C@H](C(=O)c1nccnc1-c1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 613319416 DFRYCZGOXRBKSD-OAHLLOKOSA-N 473.970 6.020 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2OCC)nnc1-c1ccc(Cl)cc1Cl 642045989 ZQURVMNDZLXIMZ-OAHLLOKOSA-N 491.444 5.806 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2n1C(F)F 645083787 XOZUTOUJNOCVQD-UHFFFAOYSA-N 461.925 5.734 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OCCC)C(=O)N2Cc2ccccn2)c1 726409396 AQUGGSHTRSSRPA-VWLOTQADSA-N 498.608 5.012 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCCOC)c1 726413180 SCRQFURBXLCSOF-DEOSSOPVSA-N 477.630 5.062 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726422255 UWKNHXLJJDGCMP-QTTWMTAASA-N 499.580 5.489 30 20 JKED Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)c2C)no1 726628011 WTILSSKTITZDKD-LSCVHKIXSA-N 454.964 5.321 30 20 JKED Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)n1-c1ccc(C#N)cc1 728268645 RUYUMXVSYCFEKP-UHFFFAOYSA-N 468.479 5.074 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CC(F)(F)F)C2=O)cc1 728421120 PDFHVPSSXOIVKJ-HXUWFJFHSA-N 482.487 5.234 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 728687945 QSSDLTKTTQSCSK-LADGPHEKSA-N 475.390 5.505 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)cc1 728779424 ZQZHWCGLQBMECE-NRFANRHFSA-N 485.009 5.393 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cocn3)C2=O)cc1 730710768 RMUBSHTUMKWYCJ-JOCHJYFZSA-N 492.601 5.241 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CCOCC1CC1 730945071 LTDDTKKENXNDLM-RUZDIDTESA-N 498.608 5.098 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@H](c1ccccc1)N1CCOC1=O 730994597 KJOVDQJYXCVOQF-GOSISDBHSA-N 463.481 5.233 30 20 JKED Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(Br)c1 731066971 KIKIUUKMBDYEEE-ZNFPLGDCSA-N 473.392 5.204 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 731067072 USJQRNMKIBPZFU-NBGIEHNGSA-N 498.608 5.570 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1ccccn1 731307217 DKWFZGBJAMZWIW-HXOBKFHXSA-N 474.586 5.071 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C(/Cl)c2nc(O)c3ccc(C(=O)O)cc3n2)c1 731320380 WRNMZCCLSGZZBE-SRZZPIQSSA-N 457.873 5.221 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cscn2)c(Cl)c1 747603647 SVFWZPYGRGWQEB-HXUWFJFHSA-N 499.061 5.252 30 20 JKED N#CC1(c2ccccc2)C/C(=C/c2ccc([N+](=O)[O-])c(O)c2)C(=O)/C(=C\c2ccc([N+](=O)[O-])c(O)c2)C1 748147911 KTRDPBSKMDADBU-PZRYXVKFSA-N 497.463 5.206 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(SC(C)(C)C)cc1C 751251006 BELCJVBTKKHAHC-UHFFFAOYSA-N 477.424 5.936 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])SC1=Nc1ccc(SC(F)F)cc1 799209927 JBFAXTOCYHDYII-QGZVFWFLSA-N 494.545 5.198 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)cc1C 799213766 WKAPDBPSBSSDLO-QGZVFWFLSA-N 471.451 5.104 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CC(F)(F)F)C2=O)cc1 799214813 FNWCKCIBLTZVRR-IBGZPJMESA-N 479.524 5.225 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837395539 VWOFAPRYBIQUOW-KSFYIVLOSA-N 480.540 5.390 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2ccccn2)cc1 838038386 ZURYUWJNULCURX-AOMKIAJQSA-N 495.004 5.465 30 20 JKED C#Cc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c(Cl)cc2Cl)c1 844145097 SEQSKIXMAMAZAA-UHFFFAOYSA-N 459.354 5.336 30 20 JKED C=C(C)C[C@H](NC(C)=O)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904670838 TWCGNFIVLXTGBP-KRWDZBQOSA-N 466.847 5.740 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1nc(-c2ccccc2)cs1 915101533 DGJKZDGKHXPRET-SFHVURJKSA-N 486.018 5.128 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)n2)cc1 915102283 VGKFJNWTCVBLDA-INIZCTEOSA-N 488.619 5.495 30 20 JKED N#C[C@@H](C(=O)CCn1cnc2ccccc2c1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102804 HUNOPAJDCVVHMD-INIZCTEOSA-N 469.353 5.093 30 20 JKED Cc1ccc(-c2noc(CN3CCN(C(=O)Nc4ccc([C@H](C#N)c5ccccc5)cc4)CC3)n2)cc1 915354231 XUOIGDJLHRRVCR-AREMUKBSSA-N 492.583 5.050 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2ccccc2C(F)(F)F)cs1 915927296 IDZMAYDYZCCIDD-UHFFFAOYSA-N 497.955 5.820 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cccc(Cl)c1C 916205740 LFBBYTFZBZZFGP-HXUWFJFHSA-N 475.998 5.036 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 916213045 XDCWXANJOWTRQE-FQEVSTJZSA-N 485.396 5.549 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccco3)C2=O)c1 916217355 LKDZKYUYRJGSJC-QFIPXVFZSA-N 493.585 5.074 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 916628006 HHPNUYYBACZJIT-TZIWHRDSSA-N 463.990 5.501 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 916901711 NXOSLPQGSPFOOQ-MRXNPFEDSA-N 474.369 5.324 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl 916902672 IKGUUKINZKLRRS-SNVBAGLBSA-N 476.143 5.344 30 20 JKED COCc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2cccc(F)c12 916928428 KWKDUPHXJMKRFL-LLVKDONJSA-N 451.306 5.455 30 20 JKED N#C[C@@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916928941 YXZXNBMPOXAAOL-INIZCTEOSA-N 494.787 5.572 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(NC(=O)c4ccoc4C)n3)n2)cc1 916974578 MSBBQVIKZYSYAE-SFHVURJKSA-N 462.556 5.148 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)c(C)c(C)c1C 917612528 WUEJEFQZCJBROO-UHFFFAOYSA-O 470.662 6.700 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccc(C#N)cc3)C2=O)c1 917663829 YZDUHJBBAWMITP-XMMPIXPASA-N 486.572 5.475 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 917678461 USCAIDOYGTYSQI-NRFANRHFSA-N 482.993 5.160 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3ccccn3)C2=O)c1 917699490 WGMDZDGIGBJZNB-RUZDIDTESA-N 496.592 5.404 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(-n2ccc(C(F)(F)F)n2)cc1 917880306 XTPBQBCESPVORO-FQEVSTJZSA-N 476.911 5.064 30 20 JKED Cc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1NC(=O)c1ccccc1F 918323026 PWBDSXFQHHGWQA-VWLOTQADSA-N 463.512 6.294 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2c1C 920113890 SMYUOCRTFJQKMI-INIZCTEOSA-N 450.614 5.790 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 920141866 IILUCPCZTBGEFZ-KRWDZBQOSA-N 482.974 5.491 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1ccc(Br)cc1 920264990 HBDFEPGGGYBBPG-FQEVSTJZSA-N 477.387 5.865 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2cc(C)on2)C1=O 920355606 OJHKXDNSPPYRRL-NRFANRHFSA-N 498.992 5.114 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCCOC(C)(C)C)ccc1Cl 920496302 KUFBUBOZNHJFKH-UHFFFAOYSA-N 486.417 5.347 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)CCC2)cc1 1785934083 BVMFFXYDDOYEBV-UHFFFAOYSA-N 474.511 5.324 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C5CC5)on4)cc3)CCC2)c1 1785967470 AZALRBUMALZKTK-KRWDZBQOSA-N 454.530 5.241 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCCc3ccccc3F)CCC2)cc1 1786365450 IONDARRTQJSZPS-UHFFFAOYSA-N 452.570 5.265 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)(F)F)c4)cc3)CCC2)c1 1787212711 SWFAAOYRJJNVOM-UHFFFAOYSA-N 464.447 5.034 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cccc(C)n3)cc2)CCC1)c1ccc(O)cc1 1787327712 DVNLWDKLFQSHGS-QFIPXVFZSA-N 467.569 5.041 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)CSc4ccccc4)cc3)CCC2)cc1 1787775074 BVIQMGUYGNOFMU-UHFFFAOYSA-N 455.583 5.027 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)cc3)CCC2)CCC1 1788367646 QTWIJGSJEKAYMY-UHFFFAOYSA-N 474.948 5.437 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(Cl)ccc4n3)cc2)CCC1 1788936123 JZIAYXOMUFQCAF-OAQYLSRUSA-N 462.981 5.504 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)CCCC5=O)cc3)CCC2)cc1 1789038538 BPIQAOFVDICNMK-UHFFFAOYSA-N 477.564 5.068 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]3C)cc2)CCC1 1789209306 LROGREOCVHGPPB-QIJUGHKUSA-N 469.626 5.026 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(s3)CCN4C(=O)OC(C)(C)C)cc2)CCC1 1789219904 LJJLYZXILCQBHU-UHFFFAOYSA-N 493.629 5.207 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nn3CC)CCC2)cc1)c1ccccc1 1789600422 LIEYSQZAGJNPNQ-RUZDIDTESA-N 468.601 5.156 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4nc(C(C)C)cs4)CCC3)cc2)c1 1790074057 SGPURPUOKFNUDR-UHFFFAOYSA-N 474.586 5.208 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cccc(F)c4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1790261683 LJADVBPCPLHFSG-QHCPKHFHSA-N 493.579 5.139 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3C(F)(F)F)CCC2)cc1 1790563202 BVFMLLASWBLLRU-MRXNPFEDSA-N 493.501 5.322 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2)CCC1 1790685580 LXOQHYPIJNHIPQ-IBGZPJMESA-N 465.594 5.413 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CCC1 1791011265 VEFVBDLZZNPALS-INIZCTEOSA-N 479.558 5.148 30 20 JKED C[C@H](Cc1ccncc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791039469 IOSKFLJUOZEWQU-RTWAWAEBSA-N 466.585 5.335 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791244095 LVLCPTUUVHEUJM-NJDAHSKKSA-N 483.653 5.368 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CNc5ccccc54)CCC3)cc2)c1 1792122179 DVBHXGBONKIKEJ-KBMIEXCESA-N 464.569 5.271 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)nc1 1792123179 LTWLQTQQOCFOSS-OAQYLSRUSA-N 466.585 5.398 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](CC=C)NC(=O)OC(C)(C)C)cc2)CCC1 1792205362 XJAXDKCOOHVCDU-QHCPKHFHSA-N 481.637 5.174 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)cc2)CCC1 1792342294 KLVWEEHENXETPB-WXFUMESZSA-N 493.648 5.102 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1Cl 1793980727 KBCDFVQXKMAYCE-ZSBIGDGJSA-N 488.831 5.482 30 20 JKED Cc1sc(-c2ccccc2)nc1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2 1794248682 IYPMACXPWZOSHB-FUJBWUKOSA-N 498.652 5.240 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cccc3s2)c(Cl)c1 1797650234 RGDFWDDVEYNJFM-MUJYYYPQSA-N 484.408 5.645 30 20 JKED CC[C@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)cc1Cl)c1ccccc1 1800688306 AQVVISWZYNFCEX-VSALZBCGSA-N 464.009 5.293 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 1801534559 QWHGRKAXTIWWCS-NDBXHCKUSA-N 482.546 5.083 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3ccc(C)cc3)c1)C2)c1ccc(O)cc1 1802421494 ZWDHEUMTNLYPGQ-ZRIRBKMQSA-N 495.623 5.145 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803605082 OZZKVQLDFGBIGT-BIHRQFPBSA-N 488.097 5.135 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)C1 1804862327 RKYWUALFFFGLAK-UHFFFAOYSA-N 457.565 5.283 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(C)oc3C(F)(F)F)C2)CC1 1808403344 YPZYEWKCCIKCLF-SFHVURJKSA-N 452.517 5.220 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1809096022 SWTKEZODACBDGD-OZXSUGGESA-N 470.617 5.250 30 20 JKED C=CCOCCCC(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)C2)CC1 1809154113 OENHOCSTKIBMSX-ZEQKJWHPSA-N 454.655 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2Cl)N(C)C)[C@@H]1c1cccnc1 1810502342 ICEUHOADHAGUHJ-FTBPSBKWSA-N 497.083 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810591634 SFADUBAFMVOTEF-ZEVJAHDQSA-N 496.051 5.610 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)n3ccccc23)[C@@H]1c1cccnc1 1811262714 CYJYDDLXSQYINY-HQQGYVGFSA-N 492.623 5.533 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3c(ccc4ncccc43)s2)[C@@H]1c1cccnc1 1811288136 YYVASKQMRFWBRG-PIKZIKFNSA-N 496.636 5.358 30 20 JKED CCn1c2ccccc2c2cc(C(=O)NC[C@H]3CCN(C(=O)C(C)(C)C#N)[C@H]3c3cccnc3)ccc21 1811427001 CPFFOYIOKBUZSX-AMGIVPHBSA-N 493.611 5.079 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1812126768 JDGUIEFNECXPOR-HYBUGGRVSA-N 462.619 5.021 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)CC1 1812789511 LCNVBTBSSZHEAL-HKTMPKTRSA-N 472.633 5.074 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1 1812804992 YNISNLSTILMEHD-NAKRPHOHSA-N 474.649 5.198 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)[C@H]1c1cccnc1 1813055908 BBJYVOFYQCQBAH-IRPSRAIASA-N 476.580 5.193 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)[nH]n1 1814441356 HNYKJECNDXGLHW-KRWDZBQOSA-N 463.504 5.122 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1Cl 1814589058 FCBVRTFEPQEOLK-YXBWYFRISA-N 482.993 5.178 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCCC2(F)F)n[nH]1)c1ccc(O)cc1 1815353123 OOHVCYAXDULOBY-IEIRFRATSA-N 498.574 5.130 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCCC2(F)F)n[nH]1)c1ccc(O)cc1 1815353129 OOHVCYAXDULOBY-WPYKKVEZSA-N 498.574 5.130 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCC(C(F)(F)F)CC3)n[nH]2)cc1 1815525099 KAOJDYPVFOTROV-XTXLOEGASA-N 487.526 5.150 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)[nH]n1 1819306126 XJOISICUYMNMJR-KNQAVFIVSA-N 462.594 5.198 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)[nH]n1 1819307176 BTPXPLOTBWDDIH-FXAWDEMLSA-N 497.596 5.424 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)[nH]n2)cc1 1821181610 NGPDPSHIXRQLCP-QFIPXVFZSA-N 486.963 5.230 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1)C(F)(F)F 1821991754 DLFHWJUOBCFSRU-HXUWFJFHSA-N 483.494 5.205 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[nH]n1 1822384169 PTKPRGKYGZVURQ-XFEAKLGESA-N 484.572 5.232 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1822581902 TWYUZJUVOFJRJN-NRFANRHFSA-N 473.602 5.377 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3c(Cl)cccc3s1)CC2 1823084438 ALVLXCMPJXHQSP-STQMWFEESA-N 491.038 5.038 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)[nH]n2)c1 1823212071 QLFKIYPLJPSZBV-AFMDSPMNSA-N 492.583 5.134 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823213052 POAOYJGLKYCZBA-UZUQRXQVSA-N 475.980 5.618 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)C1 1823702568 RRHXBPBOFGHJMW-XMMPIXPASA-N 473.642 5.649 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccc(Cl)c2)CC1 1823981467 CFOQOSYWMOFTNZ-RPWUZVMVSA-N 459.030 5.107 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1824037794 KWGWPHGDGOOJFU-PVHODMMVSA-N 473.592 5.043 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1824053151 HLNTXUIKJRZZKU-JOCHJYFZSA-N 499.442 5.126 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2cc(OC)ccc2OC)CC1 1824143703 SBDIDPLHOYFVNE-MHZLTWQESA-N 496.692 5.415 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1824448848 FYYMCMFNIJFERW-CYXNTTPDSA-N 466.666 5.411 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1824848617 CRJKBEMYNALDFY-LJQANCHMSA-N 496.467 5.349 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)c1 1825575372 NCYNMGKPIVJRCH-NDEPHWFRSA-N 498.602 5.548 30 20 JKED CCc1ccnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1827359786 GKVAIDJFSHFDPB-DEOSSOPVSA-N 498.549 5.082 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2cc4ccccc4o2)CC3)c1 1827696431 BHHSALYLNRVHKF-LPNSOXRQSA-N 496.592 5.456 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827997767 XSXXVTZDZRXMED-HRFSGMKKSA-N 487.669 5.453 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)c2[nH]1 1828212754 QFZQEBDBNITNCE-XMMPIXPASA-N 489.019 5.549 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1 1828673123 ZSMZXUHLQHADMG-QFIPXVFZSA-N 453.652 5.522 30 20 JKED COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)ccc1F 1828908624 SXJFZMBWNYIRJF-DEOSSOPVSA-N 486.704 5.119 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)CC1 1828935851 VBMNPJWMRMABEW-FEPIEJAYSA-N 464.675 5.262 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(O)nn3)cc2)CC1 1829068633 IMGOXMIKMWOSMC-VWLOTQADSA-N 490.648 5.075 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1829454079 DFWYBGMYUNBIIG-HXUWFJFHSA-N 490.456 5.668 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829671446 JOYTWYAXSSFLEX-VWLOTQADSA-N 451.586 5.309 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1Cl 1829689918 VWTFGZCJGNPAPW-OAQYLSRUSA-N 488.390 5.551 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)C1 1830445334 QJZQQDVHWHYXMV-MHZLTWQESA-N 485.628 5.138 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)CC1 1830633270 LLMJAYAYAVTWLO-DEOSSOPVSA-N 463.622 5.567 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc(OC)c2OC)CC1 1830649647 QWQADMZQKPJGCY-OAQYLSRUSA-N 474.617 5.069 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CCC1 1830654120 ODUKEZXTPUZHPD-IBGZPJMESA-N 466.384 5.060 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)ccc2[nH]1 1831033606 QTNYUKSKUZXQNR-NDEPHWFRSA-N 482.628 5.214 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CC2)C1 1831236236 YPXCKSCTXBHNKS-YADARESESA-N 476.583 5.481 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1831370884 QWCRGPDBGRJXEO-CUNXSJBXSA-N 459.634 5.503 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1)C(F)(F)F 1831452314 AJVSHBCOUSLGRH-PCCBWWKXSA-N 468.947 5.182 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1832030646 WJTPBTUZKUBQNN-RUZDIDTESA-N 456.602 5.040 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832031458 QBVRVKYXWFUVQA-NRFANRHFSA-N 450.957 5.045 30 20 JKED COc1ccc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633978 QCZYSZFRYOMEAA-KDYSTLNUSA-N 473.617 5.178 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CCC1 1832785720 HWPPZXXWCGUQKE-SANMLTNESA-N 473.592 5.420 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C#N)CC1 1832933442 PWYFOXREYVYWOW-XMMPIXPASA-N 489.701 5.230 30 20 JKED CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1)c1ccccc1 1837632273 AKRRUZQRABRQQR-RBISFHTESA-N 487.644 5.120 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C34CCC(CC3)CC4)CC2)CC1)c1ccccc1 1838417422 BVPKNBXZKPALIL-NFVORSKWSA-N 490.688 5.153 30 20 JKED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCc3ccccc3)CC2)CC1 1838785734 LDJRFPBEUBLWSU-HSZRJFAPSA-N 488.738 5.277 30 20 JKED CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)OC1(C)C 1857791323 BMXVARCCEGLZLV-UHFFFAOYSA-N 458.366 6.455 30 20 JKED Cc1cccc(N2C(=O)/C(=C\c3cn(CCC#N)nc3-c3ccccc3)c3ccccc3C2=O)c1 3398344 OPFJMWBCNIVTDM-ITYLOYPMSA-N 458.521 5.500 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccccc12 9741689 FXFXWTUITDZIQQ-UHFFFAOYSA-N 481.400 5.723 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 10168735 RLIISCGXLANVSH-UHFFFAOYSA-O 453.578 6.218 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1ccc(Cl)cc1 10170952 IMALKBBFURNCFX-UHFFFAOYSA-O 475.977 6.176 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(CO)c2)c(C)s1 10172450 ZHPIUCBAORBZNO-UHFFFAOYSA-O 489.642 5.988 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)nnc12 10656057 FMPFZKLYBMPADE-ZDUSSCGKSA-N 498.490 5.152 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)c(Cl)c1 11089559 BUEHNXWZNJWMQA-UHFFFAOYSA-O 486.007 6.452 30 20 JKED C[C@H](c1nnc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccccc1)N1CCCCC1 15355642 UJXSAZSOCNRZSY-QGZVFWFLSA-N 481.025 5.070 30 20 JKED C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16788294 IMDWKLJUXXQNMQ-AWEZNQCLSA-N 467.620 5.118 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2Cc2ccco2)cc1 20068357 WPXXRIATCMVQPC-UHFFFAOYSA-N 485.613 5.681 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 22716604 IJEVEFZRSAUZEV-CABCVRRESA-N 489.414 5.391 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(CC)CC)cc2)cc1 22730999 BVBQCBOYECKGMF-UHFFFAOYSA-O 467.605 6.769 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nnc1-c1ccc(Cl)cc1 23553290 WTAYGVDOSNSVAS-UHFFFAOYSA-N 482.993 5.557 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1sc2ccccc2c1C 24509777 UZHZMIQMKDXOJH-UHFFFAOYSA-N 453.564 5.680 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 24874094 STZWCYBLFRPLHU-MZNJEOGPSA-N 484.025 5.035 30 20 JKED COc1ccc(-c2cc3[nH]c(CSc4nc(C)cc(C(F)(F)F)c4C#N)nc(=O)c3s2)cc1 25036600 PJFIECXFLCUCMD-UHFFFAOYSA-N 488.516 5.546 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccccc1-c1ccccc1C#N 25726956 FJNXLMYLLVTGLD-UHFFFAOYSA-N 462.347 5.007 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(OC)c2C)c1 33049213 YMJVADPTHDODFI-UHFFFAOYSA-N 485.005 5.599 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cs2)cc1 43833942 FMLMTJHZOLNJQS-UHFFFAOYSA-N 473.558 5.016 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)n1 72013830 XNSZFZXQYJHZSV-UHFFFAOYSA-N 478.809 5.221 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1C 72025337 CQGOPYVKUNRFQN-UHFFFAOYSA-N 469.570 5.587 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc(Cl)ccc2c1=O 105407718 WOMHSXGHZHHKHJ-SFHVURJKSA-N 493.013 5.328 30 20 JKED C=CCN(C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 105724329 BNEOPWDKWUOLFX-UHFFFAOYSA-N 491.425 6.380 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 116589053 BKFALANGLQHSLJ-IBGZPJMESA-N 488.519 5.381 30 20 JKED O=C(COCC(F)(F)F)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 117125383 APIBZNLAKOHFOF-UHFFFAOYSA-N 466.325 5.289 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 195634587 GKRVLGSRRLMIOQ-DEOSSOPVSA-N 455.493 5.443 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cs1 303233128 YVDZNXNMLOAIQU-VBKFSLOCSA-N 493.560 6.442 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 483417992 SGVMNRXMALRTHZ-UHFFFAOYSA-N 487.610 6.045 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 484223812 UZFRXCUPVRSLRE-XMMPIXPASA-N 479.939 5.323 30 20 JKED N#Cc1ccsc1C(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 497989952 MNJUASAUVYUQHV-UHFFFAOYSA-N 472.433 5.069 30 20 JKED CCOCCOc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 499210309 KEUAZZOPDLQWHO-KRWDZBQOSA-N 461.370 6.022 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccco2)c1 499406381 ILJRIXOTTBAMCX-KRWDZBQOSA-N 458.967 5.148 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(F)ccc1I 500772019 XNQNRAQEHAEJBV-UHFFFAOYSA-N 472.257 5.655 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(Cc2ccc(F)cc2)n1 501771244 PRKGVYCAXMKPKU-UHFFFAOYSA-N 477.374 5.532 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1C(=O)N1CCCC1 502675965 BOJRTPADWNTEEP-UHFFFAOYSA-N 460.347 5.044 30 20 JKED Cc1nc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)nn1-c1ccccc1C(C)C 503079107 AOTZIACZNRCIGR-UHFFFAOYSA-N 464.529 5.075 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)c1ccc(SCC)cc1 504702344 GEVFQRMARJFWJH-AWEZNQCLSA-N 463.397 5.088 30 20 JKED C[C@H](CC#N)N(C)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 505135047 ILIAOLDLYKERPE-LJQANCHMSA-N 482.005 5.110 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 506981618 DKLFZFNKGQGXBY-UHFFFAOYSA-N 484.478 5.233 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 508606408 ZOOYNCNXRALKPA-UHFFFAOYSA-N 465.638 5.085 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1 509603379 QUAOBEDVVWGHJH-UHFFFAOYSA-N 477.311 5.062 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 510509312 VGIWAKDHSOHRFM-UHFFFAOYSA-N 468.557 5.607 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1c(Cl)cccc1Cl 510981962 JAXRIGIMYQQRKX-GFCCVEGCSA-N 489.313 5.932 30 20 JKED O=C(Nc1ccc(F)cc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 517434586 VHOJJQQDIQIIJK-UHFFFAOYSA-N 452.717 5.408 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 518155676 YXJSDECSCYYNHC-FOIQADDNSA-N 477.552 5.799 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(COc4ccc(Cl)cc4)nc3C)n2)cc1 518516573 LAGGFMDQLHGUOY-IBGZPJMESA-N 496.013 6.306 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 520939295 PZDLZNJILGQDQP-SJORKVTESA-N 473.440 5.491 30 20 JKED COc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 521723725 SYSADUPUUAYVDN-AWEZNQCLSA-N 471.633 5.415 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2nc3cc(Cl)ccc3s2)cc1 523188681 BIFMWSFRVGMEAW-UHFFFAOYSA-N 464.953 5.872 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccnc3S[C@H](C)C(=O)N3CCCC3)n2)cc1 523959290 OKQLUYFHIROFHG-YLJYHZDGSA-N 476.627 5.107 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc2Cl)c1 551400752 UBYBYUJPVSSQOY-UHFFFAOYSA-N 489.938 5.156 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(Br)cc1 553356767 BARVYWHLCWQPTB-OXQOHEQNSA-N 458.425 5.476 30 20 JKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 591846525 BDBSAFZQUDRLNN-UHFFFAOYSA-N 466.328 5.104 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c12 603740137 OTUMJUDRRWSVMO-UHFFFAOYSA-N 453.502 5.672 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1c(F)cccc1F 608940986 NCQDZDVGRMRSFH-NRFANRHFSA-N 469.875 5.488 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)cc2)cc1 608942725 ONOJIIGNDBJWJK-UHFFFAOYSA-N 454.555 5.815 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)c2)c1 608993799 AGXGPSMGOZOUQB-QHCPKHFHSA-N 495.366 5.723 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 609079855 KGIRSJSVAUYYPH-UHFFFAOYSA-N 465.937 5.472 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H](OCC(F)(F)F)C3)cc2Cl)c1 609080537 NHQSSYHBRJUXOF-SFHVURJKSA-N 467.875 5.366 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 609084267 RHMBXZXJYLEIGC-QGZVFWFLSA-N 481.474 5.280 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103919 ISSRWSHGXUPSBA-INIZCTEOSA-N 481.524 5.114 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1 609104345 VBOXLEAKCWHZRM-UHFFFAOYSA-N 455.489 5.811 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCO[C@@H](c4ccccc4)C3)cc2Cl)c1 609254056 HLFDNCJKMBHGMD-RUZDIDTESA-N 461.949 5.786 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1nccs1 609404568 HIWHVTAPQQUCDT-GOSISDBHSA-N 490.532 5.012 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 609438606 ODEUYYNETPUVSH-MRXNPFEDSA-N 465.525 5.203 30 20 JKED N#C[C@@H](C(=O)c1ccccc1Oc1cccnc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 623036504 NOXAEXSNWWLMEP-SFHVURJKSA-N 466.349 6.794 30 20 JKED O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642157958 MHSCOEZNBAWADG-URLYPYJESA-N 461.328 5.081 30 20 JKED N#C[C@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc2ccccc2n1C(F)F 642282387 MRXSOYGIDTVKMD-LJQANCHMSA-N 473.508 5.861 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(Br)cc1 677050916 GJGYOIHCFRZLAK-AWEZNQCLSA-N 468.380 5.797 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(N5CCCC5=O)cc4)c23)cc1 725815872 CEWKGYMMNYZONV-UHFFFAOYSA-N 457.559 5.330 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2c(F)cccc2F)n1 726136407 IHKSZYZSHLNFGX-UHFFFAOYSA-N 465.275 5.340 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@H](C)c1cccnc1)c1cccs1 726421610 OGSUPCXOLLXETO-GUPKRBROSA-N 499.061 5.948 30 20 JKED Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(CC(C)C)cc1 726570729 JHTAKNSNJVXQJB-UHFFFAOYSA-O 479.025 6.035 30 20 JKED Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2occc2COc2cccc(C#N)c2)o1 726691297 BIWAFUWGPAZTHO-UHFFFAOYSA-N 482.452 5.101 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1csc(-c2cccs2)n1 728425584 JJURLKYRXWPMPQ-UHFFFAOYSA-N 468.416 5.520 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1scnc1C 729144646 WPJPYVALKFDQIW-HXUWFJFHSA-N 499.061 5.882 30 20 JKED N#Cc1cccc(OC2CCN(Cn3nc(-c4ccco4)n(C4CCCCC4)c3=S)CC2)c1 729467124 NBDAWLUZUFEJBZ-UHFFFAOYSA-N 463.607 5.552 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)cc1C 729631992 WSYBQGJGDDPNKF-QHCPKHFHSA-N 476.577 5.306 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)cc1 730685686 BCSSSZFVUMFPPZ-ULOHNXOTSA-N 460.574 5.202 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1)c1nc2ccccc2s1 730686095 MKCQDMIDLDCZSA-ZHRRBRCNSA-N 481.346 6.194 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2Cl)o1 731064930 TYEMKVXQZQPCJQ-OAHLLOKOSA-N 454.935 5.790 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnn1-c1ccc(OC(F)F)cc1 731165686 DAINWDUWQBSMRG-JOCHJYFZSA-N 459.456 5.085 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc(C)on2)cc1 731305788 PHODNDHTRSBTGU-QHCPKHFHSA-N 492.601 5.192 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)cc2)cc1F 731309928 XRXUWVHNYIBJKY-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1C 731310847 RJQUUINQMFUJQW-NRFANRHFSA-N 498.992 5.119 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(F)cc2C)ccc1OCC(=O)Nc1ccccc1Cl 731322284 VJJMYSKEGLFDAM-XFFZJAGNSA-N 453.897 5.710 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 745313848 YJCJKDZWXPNIIW-YJBOKZPZSA-N 454.498 5.254 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)cs1 745625928 GQUSXBVOZQFJHY-NTCAYCPXSA-N 456.571 5.835 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)cs1)c1ccc(F)cc1F 745998959 RIGHMHAFXNMPFV-OWBHPGMISA-N 466.553 7.050 30 20 JKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nn(CN(C)C[C@@H](C)C#N)c1=S 746705859 CILCGWOCSDZXGJ-NRFANRHFSA-N 499.640 5.707 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)c1ccccc1 747150718 TVDQDYSPKRKTLB-KQWNVCNZSA-N 473.569 5.742 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc2cc(Br)cc(Br)c2o1 747560245 ABRRDMAAOMVAOV-NSHDSACASA-N 496.542 5.572 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc3ccccc3c2)=C(/O)c2ccc(C#N)cc2)cc1 762442285 ZRHGZGNHBPLQPY-UHFFFAOYSA-O 450.587 6.275 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cc12 762918034 PZIPDHREJLDNKJ-UHFFFAOYSA-N 468.538 5.304 30 20 JKED C=C(C)CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S 814290800 OIVZDSZIYBUXJT-LZYBPNLTSA-N 465.350 5.395 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1 837742284 SQJQEPQRASUTCA-VFNWGFHPSA-N 466.513 5.081 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@@H](C)c2ccccn2)cc1 837913090 PYTPLVZEYBCVFZ-MHECFPHRSA-N 488.613 5.374 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837918410 MQZXGEIQYCMSSE-MHECFPHRSA-N 488.613 5.374 30 20 JKED N#Cc1ccccc1Oc1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1Cl 856552854 QEUKMTVSHTYWBO-LJQANCHMSA-N 462.937 5.560 30 20 JKED CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccccc3Sc3ccccc3C#N)sc2C1 861218724 DXYAKODWAGHMTP-UHFFFAOYSA-N 492.626 5.711 30 20 JKED COc1ccc(-c2nc(Cc3noc(-c4ccc(Oc5cccc(F)c5C#N)cc4)n3)co2)cc1 904332271 PBJJFILPCXVLAT-UHFFFAOYSA-N 468.444 5.794 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@@H](C)Cc2ccco2)C1=O 914691720 RADRKIBSFHUMFJ-KSFYIVLOSA-N 481.549 5.019 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnc1-c1cccs1 915085968 DKKXQWMUQVQWSX-FQEVSTJZSA-N 459.600 5.413 30 20 JKED COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915086786 XCHWMDGOTWEYFA-AREMUKBSSA-N 461.521 5.855 30 20 JKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c([N+](=O)[O-])cc1OC(F)F 915086902 OMBHGWABGOVKHK-SFHVURJKSA-N 453.401 5.113 30 20 JKED Cc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2F)o1 915112276 WUUOUTNQNVLJRJ-OAQYLSRUSA-N 487.503 5.208 30 20 JKED C[C@@H](OC(=O)c1cccnc1Oc1cccc(Br)c1)C(=O)N(CCC#N)c1ccccc1 915529517 KPORGNZJZXSFHX-QGZVFWFLSA-N 494.345 5.129 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1 915598588 VDEOGVOIZKIDQZ-AREMUKBSSA-N 453.542 5.329 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)c1 916156581 VSFQSUMBCJLNMZ-IGKIAQTJSA-N 451.570 5.450 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916205472 OPARIRLWAAJIRY-KRWDZBQOSA-N 485.890 5.621 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)c(C)c1 916215144 DQKQLKSNOVYGSU-IBGZPJMESA-N 472.408 5.212 30 20 JKED COc1cc(C=NNc2ccc(Cl)c(C(=O)O)c2)ccc1OCC(=O)Nc1ccccc1Cl 916260205 TXQSTBXXBRUAHI-UHFFFAOYSA-N 488.327 5.164 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2sccc2Br)cs1 916420087 CADPEDGNCOHORJ-UHFFFAOYSA-N 459.350 5.450 30 20 JKED Sc1nnc([C@@H]2COc3ccccc3O2)n1N=Cc1c(-c2ccccc2)[nH]c2ccccc12 916615268 PSUUDEQFLKAUCP-QFIPXVFZSA-N 453.527 5.110 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1Br 916909879 DSERLDXAWDJDDS-MRXNPFEDSA-N 470.754 5.471 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 916914542 NGWMCYYFSLDBIF-IBGZPJMESA-N 468.966 5.172 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1NC(=O)c1ccccc1F 916918256 OHLVLLPOHHVCSD-QFIPXVFZSA-N 465.484 5.501 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 916926097 RRSAYGLMWINFET-LJQANCHMSA-N 475.526 5.414 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 916953951 FOGBPGMHCXYVEN-FMLDBKJISA-N 466.537 5.615 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C)cc3Br)n2)cc1 916974811 RQCFGKFEOAYMAK-DOTOQJQBSA-N 455.377 5.833 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995386 FHZUKRBLPALUTR-UGKGYDQZSA-N 484.408 5.829 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917044386 SWPLOUUUJPMJSQ-HNNXBMFYSA-N 463.506 5.172 30 20 JKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1Br 917559312 HSNBKKJNDSINJB-RMKNXTFCSA-N 475.339 5.634 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccc(C#N)cc3)C2=O)cc1 917669104 NUAJWGBPDDHOOA-VWLOTQADSA-N 496.592 5.230 30 20 JKED C[C@H](OC(=O)c1csc(-c2cc(Br)cs2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 919632221 QIENJUZFRJBHED-VIFPVBQESA-N 496.795 5.343 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccc(C)s2)c1 920173506 PNYHWVXBKCXQQB-OPAMFIHVSA-N 497.617 5.926 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@H]2c2ccccc2)c1 920355166 LOYCIBZGLTWBSO-NZJKTDFXSA-N 491.657 5.072 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)c(F)c2)C1=O)Nc1ccccc1F 920356271 RTPATQIOZASUPP-NRFANRHFSA-N 487.478 5.404 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cc(Br)cnc45)CCC3)cc2)C1 1785810402 QOJVHIPFKBTNDQ-UHFFFAOYSA-N 490.401 5.711 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3=C4c5ccccc5C(=O)N4CC3)CCC2)cc1 1785842718 JNKKJFXSRUHPIP-UHFFFAOYSA-N 483.612 5.384 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3cnc4ccccc4c3)cc2)CCC1 1786035490 IEUMZFYBCSNHRW-UHFFFAOYSA-N 471.601 5.284 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)[C@@H](S)C(C)C)cc2)CCC1 1786392145 WYUHKRFOLSCSKF-SFHVURJKSA-N 454.514 5.309 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)cc2)CCC1 1786581112 IKEDSVQCDTVEOX-UHFFFAOYSA-N 492.616 5.157 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)CCC1 1786713049 GXAQROOTSMCYMF-VXKWHMMOSA-N 473.617 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)cc2)CCC1 1786785691 ADYAKPYQHDNFGW-HXUWFJFHSA-N 493.673 5.223 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787133442 BXEANJMUXBIBEY-DEOSSOPVSA-N 475.564 5.142 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Br)cc4s3)CCC2)cc1 1787647654 NQOHPCDDWQWEFF-UHFFFAOYSA-N 468.376 5.325 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)cc2)CCC1 1789221393 YXNDQUWDPCMQFQ-GOSISDBHSA-N 477.992 5.535 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)c1 1789328139 ROPWKVAVWMUYAO-UHFFFAOYSA-N 460.537 5.476 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cn4c(Br)cccc4n3)cc2)CCC1 1789394369 AHWAKNZNSYLDPB-UHFFFAOYSA-N 493.405 5.038 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CCC1)C(F)(F)F 1789739893 TVECUFOSBZPUGJ-UHFFFAOYSA-N 458.267 5.255 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)ccn4)CCC3)cc2)c1 1790074247 KIFSGEYUPMEOAL-UHFFFAOYSA-N 494.473 5.042 30 20 JKED COc1cccc(OC)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1790238378 MKQLDEZYKQHBKQ-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)c1 1790258396 NZVFIYRSFDKXSE-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C)c3)cc2)CCC1 1790347507 VCFYLWLNHVTVDL-UHFFFAOYSA-N 499.405 5.015 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)COc3cccc4ccccc34)CCC2)cc1 1790563628 PHUVRUCJWQPACO-HXUWFJFHSA-N 473.573 5.154 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(F)c(F)c(F)c3)CCC2)cc1 1790570115 UCVIICRKJKTLEO-ZWIJEDICSA-N 473.495 5.052 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cn5cc(Cl)ccc5n4)CCC3)cc2)c1 1790763705 IQSLRGHZTTYFGZ-UHFFFAOYSA-N 487.922 5.060 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OC(F)(F)F)cc2)CCC1 1790820521 VTGCUVPNOPXYAO-UHFFFAOYSA-N 465.859 5.290 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)[S@@](=O)c3ccccc3)cc2)CCC1 1791059854 AYCMTELZXNASSC-IFJBACLGSA-N 464.631 5.085 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)CCC2)cc1 1791249892 CZHMUENZBMIVPW-LJQANCHMSA-N 467.573 5.289 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791250189 KJNPBQKHECZJGB-NZQKXSOJSA-N 483.653 5.512 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C34CCC(CC3)CC4)cc2)CCC1 1791981566 NKJQIYDZAAVZKP-BPNDJBKRSA-N 493.648 5.008 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5occ(-c6cccnc6)c5[nH]4)CCC3)cc2)CCC1 1792231448 NKPIERCGYWOKLK-UHFFFAOYSA-N 479.540 5.264 30 20 JKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792233523 MZLMRKJPOSBVCX-UHFFFAOYSA-N 488.588 5.475 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cccc(Br)c3n1)C2 1798339990 JPOCXWNTCWWQID-IYWMVGAKSA-N 482.422 5.018 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Cl)cc3[nH]1)C2 1798418332 OWGVTUWGHQZKCQ-WKCHPHFGSA-N 470.089 5.124 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)C2 1798591167 IIPATEJKZLTRPN-BJWYYQGGSA-N 453.410 5.003 30 20 JKED CC[C@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C#N)c1Cl)c1ccccc1 1799301312 CCBIYBOWYDUDJO-VOHHZYNPSA-N 464.009 5.293 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1800413291 DCTPMBTVWIFDBH-JHJNDJDLSA-N 494.451 5.465 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[C@H]2c2cccnc2)C1 1802406118 LIZJJDSNWNVVFB-ZODMCCGTSA-N 466.025 5.147 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[C@H]1c1cccnc1 1802491035 FLGBLUCYRXPPQN-QVQNZMNRSA-N 463.597 5.023 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1802493814 YCTJSEIZOOTHTP-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)C(C)(C)Cc3ccccc3)[C@H]2c2cccnc2)c1 1803026919 RQQLGESEKCDICE-KKVCJECGSA-N 494.639 5.297 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1803084790 WBMMBUGFAKIOFR-KCWPFWIISA-N 468.601 5.026 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1804176768 YRCSUZIZMNEDOP-AJTFRIOCSA-N 487.625 5.113 30 20 JKED Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)c2ccccc12 1804617373 GSOWEECKJTWVKY-VPIUVCPKSA-N 479.624 5.660 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc5occc5n4-c4ccccc4)CC3)C2)C1 1804779387 JBIYHXRPADQLPX-UHFFFAOYSA-N 457.574 5.035 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cnc4c(F)c(F)ccc4c3)CC2)C1 1804866524 DRMJAYKAHRORFI-UHFFFAOYSA-N 469.576 5.350 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)C1 1805336472 HKDHQAUVGMWSEM-UHFFFAOYSA-N 498.026 5.299 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)COc3cccc4ccccc34)C2)CC1 1806668305 XSLYFRQBVHYZPO-UHFFFAOYSA-N 460.618 5.218 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 1809182932 AHERGPGMYAQUTF-UHFFFAOYSA-N 481.464 5.596 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCCC2(F)F)[C@@H]1c1cccnc1)c1ccccc1 1810440600 KBFGFNYCXLUJID-ASDGIDEWSA-N 493.598 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2F)[C@@H]1c1cccnc1 1810501697 CLBPMODILOQASE-GBXCKJPGSA-N 462.569 5.014 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5ccoc5s4)C3)CC2)c(Cl)c1 1810510525 ZIBGLZNUPXEUDO-UHFFFAOYSA-N 467.978 5.178 30 20 JKED O=C(NC[C@H]1CCN(C(=O)CCC2CCC2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811245280 URXDIRYOQUJNHE-BVRKHOPBSA-N 491.635 5.381 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1812235153 NVSSJFJPIAQQHP-DVECYGJZSA-N 479.024 5.528 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[C@H]1c1cccnc1 1812591164 BCKDETKVQAMINK-IDOVBLGQSA-N 493.611 5.157 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[C@@H]1c1cccnc1)c1ccccc1 1812709432 YEDDTRVTADHBKP-VCPZHFJMSA-N 483.656 5.111 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1814108325 TZRKBEIOMNIGAR-FIPFOOKPSA-N 483.637 5.107 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2C1 1817352095 JXTXRQQODFVESP-LJQANCHMSA-N 476.602 5.101 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]2)cc1 1818868496 XFMGKOLYIUJPJL-WPFOTENUSA-N 487.991 5.239 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)c1Cl 1820562138 NYGVHYNMACJDGL-LJQANCHMSA-N 468.344 5.208 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(OC)cc3C#N)n[nH]2)CC1 1820838061 YUGFPFYAFLWRAJ-RLSLOFABSA-N 491.636 5.131 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821071389 BOIMNNWVCRCNDS-WMZOPIPTSA-N 499.862 5.086 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)[nH]n2)c1 1821275133 DUPQQFNKFBHKSM-JOCHJYFZSA-N 490.926 5.175 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)cc1C#N 1821306092 AKXKLZSHPYBHBT-RUZDIDTESA-N 497.599 5.566 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212530 OXPZJEQHHQOVKF-XOBRGWDASA-N 499.493 5.577 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(N(C)C)cc3)[nH]n2)c1 1823215883 JGHXITCRZSKYTK-FNZWTVRRSA-N 498.631 5.041 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603308 XDRLIKAPZKLTKY-NBGIEHNGSA-N 474.605 5.087 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(C)oc2C(F)(F)F)CC1 1823752866 PSJDIGWIBKVSQK-SFHVURJKSA-N 469.548 5.228 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCC2)CC1 1823847273 DZMKYYZOHIIFJF-XZOQPEGZSA-N 489.701 5.046 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823971816 JWYBHKHTRLTIHM-WTOYTKOKSA-N 451.076 5.018 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1824540636 MKVDIAWBYQDJII-WIOPSUGQSA-N 495.714 5.637 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1 1826264123 BNWPIZDQFNRSLI-BJKOFHAPSA-N 489.701 5.046 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1)c1cccs1 1827683595 FPPNVTWWUKHOTM-LCCNJJIFSA-N 471.022 5.074 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827779263 PHKURXUZJSNUHY-PGRDOPGGSA-N 467.576 5.533 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1828821409 MZYKDYJSSMIQKP-FCHUYYIVSA-N 477.571 5.031 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C(F)(F)F)CC1 1828823271 QQBCNHRFPUAJDZ-QZTJIDSGSA-N 469.573 5.164 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1828884022 LKDWYSNHCLORKR-RDGATRHJSA-N 499.051 5.406 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 1829068575 FTAHIAQSCBZZEX-XMMPIXPASA-N 463.622 5.567 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3F)CC2)c1 1829886664 LYWOUOSLCNCSQR-IQGLISFBSA-N 465.544 5.139 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830054574 UXNRYFUFULZBKM-DEOSSOPVSA-N 499.533 5.133 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1830128255 VYYNKWLAMKYNMS-QFIPXVFZSA-N 476.702 5.357 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1830581585 UBLAHMLHYVVQFU-VWLOTQADSA-N 495.570 5.026 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830630121 IQZHAHVBWWAWSL-RUZDIDTESA-N 475.633 5.499 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1831369477 AKCZJCUYKCDUHS-AVRDEDQJSA-N 450.545 5.080 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1831695330 ICHRKBNMCVBTSU-QIPDWXLVSA-N 463.666 5.763 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1831840330 HMADTJFDRKDGBA-ZHRRBRCNSA-N 489.479 5.154 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 1831948147 ZRGLVCDJJHNIGJ-XMMPIXPASA-N 499.493 5.294 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2cccnc2)CC1)c1ccccc1 1832339816 GWLIKFSTEBMJLK-WDYNHAJCSA-N 485.672 5.221 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)CC1 1832551755 CXGLGISDVZEALF-QPPBQGQZSA-N 459.030 5.350 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c1 1832634453 RURWWXHHYNFDNC-FNWGXJQJSA-N 461.650 5.373 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3F)CC2)cc1C#N 1832702326 GSHXZTYSNQZUMS-QFIPXVFZSA-N 483.609 5.093 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(-c4ccccc4)n4ccccc24)C3)c(Cl)c1 1845488511 UDRDXNACLUOAMP-UHFFFAOYSA-N 494.982 5.262 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1ccccc1C#N 8988836 YKSUFUGCNNDWHV-HNNXBMFYSA-N 451.983 5.705 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10755983 LTQVWMGGQJXFNR-UHFFFAOYSA-O 462.397 6.423 30 20 JKED C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 15849397 QTCOVGZPHDAPMP-AWEZNQCLSA-N 469.661 5.472 30 20 JKED N#Cc1ccc(C(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccco2)cc1 15998069 JTIWIPQXSUSTBV-UHFFFAOYSA-N 461.827 5.105 30 20 JKED C[C@H](OC(=O)c1ccccc1C(=O)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18465148 JGMDKOPIANHTGC-HNNXBMFYSA-N 478.595 5.365 30 20 JKED Cc1cc(S[C@@H](C)C(=O)OCC(=O)Nc2ccc(F)cc2Cl)n2c(nc3ccccc32)c1C#N 21087720 RQANRYOGKXJVNS-AWEZNQCLSA-N 496.951 5.123 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc3c(c2)CCCC3)s1 22731099 XBNLNLMZXOPYPV-UHFFFAOYSA-O 476.474 6.581 30 20 JKED C=CCn1c(SCC(=O)N2CCc3[nH]c4ccccc4c3C2)nnc1-c1ccc(C(C)(C)C)cc1 23998909 RQTZGHQLDPHBMM-UHFFFAOYSA-N 485.657 5.587 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)sc2c1CCC2 28797767 DXPBVCVPFHDILH-UHFFFAOYSA-N 475.574 5.226 30 20 JKED Cc1ccc([C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc2)cc1 32968870 RFUBPNRRPZQOBG-RUZDIDTESA-N 466.541 5.237 30 20 JKED Cc1nc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)sc1SCC#N 107915749 KXSPCGQNPHJLRX-UHFFFAOYSA-N 450.998 5.317 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccccc1F 195558310 JJTCIUGEOZBRRF-LJQANCHMSA-N 478.515 6.044 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc(Br)cc1 263590595 ATLCZWDEYFPENC-FQEVSTJZSA-N 495.402 5.005 30 20 JKED aggregator Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1Cc1ccco1 301907549 OVIGWDWWTOEYOI-UHFFFAOYSA-N 463.950 5.151 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 303322305 UNIKYCWGZRTKAL-KRWDZBQOSA-N 491.667 5.978 30 20 JKED CCn1c(SCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)nnc1-c1cccc(C)c1 303401035 QZLLEHBDRGFPEA-KRWDZBQOSA-N 460.390 5.053 30 20 JKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nc2sccc2c1=O 409995036 YGNOXMAZHRNODZ-UHFFFAOYSA-N 451.360 5.293 30 20 JKED C=CCN(C(=O)[C@@H](C)Oc1cc(C)ccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 410138241 DWLPBROMXMMSRQ-MRXNPFEDSA-N 491.034 5.162 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(-c2ccccc2)cs1 410396785 IFFUFQKZONCJFA-QGZVFWFLSA-N 468.538 5.290 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 480805728 LIHXXNZJJKLXHA-UQBPGWFLSA-N 456.546 5.483 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(Oc4cccnc4)c(F)c3)cc2F)c1 481569595 LLBDNFYCVIJZHG-UHFFFAOYSA-N 486.478 5.924 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 487917044 REOHMIPQFLRJNJ-UHFFFAOYSA-N 464.285 5.244 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 488016992 ZFGKLFFHKGCSSI-UHFFFAOYSA-N 473.529 5.755 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C(F)(F)F 501283404 NEKGCZRHINKWPY-INIZCTEOSA-N 475.536 5.621 30 20 JKED CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510593970 WQJYIROOBDSRJB-UHFFFAOYSA-N 456.546 5.511 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 510888871 STMWCZNEOVPNHQ-SANMLTNESA-N 457.530 5.154 30 20 JKED C[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)S(=O)(=O)c1ccc(F)cc1 512005671 HZZMKIJFLOJODG-CABCVRRESA-N 462.612 5.101 30 20 JKED CCOc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4nc[nH]n4)c3C#N)C(C)(C)C2)cc1 513215287 WHXZSXMMMSTBOM-AATRIKPKSA-N 491.642 5.645 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 514424218 HIOWCBZFXCTGBD-UHFFFAOYSA-N 488.503 5.103 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccccc1Br)c1nc2ccccc2o1 515597556 MZIPBTFODVMFEO-INIZCTEOSA-N 460.287 5.333 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 515599394 FUJKKKOZIURWKY-UHFFFAOYSA-N 478.389 6.583 30 20 JKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 515696893 HVAQITHWEHDEBC-HXUWFJFHSA-N 453.542 5.404 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCCC(C)C)c(OC)c3)n2)cc1 518516751 WAGUBMGCJHQFML-HXUWFJFHSA-N 450.560 5.742 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)n2)cc1 518624472 KRHZKLTYTUSCLO-QHCPKHFHSA-N 472.591 5.583 30 20 JKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3S[C@@H](C)CC#N)[C@@H](c3ccco3)C2)cc1 518758951 PFKULZPRMMKXJD-WMZHIEFXSA-N 458.587 5.772 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O 519415408 MHTVJFIMCKKVRI-FQRUVTKNSA-N 498.608 5.225 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cc1 519427509 KTGNPEKEZICTMJ-LJQANCHMSA-N 464.612 5.473 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 519883321 XRRCAVBUVZORFY-HAHDFKILSA-N 496.592 6.444 30 20 JKED N#CCCn1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 519944298 JCWCLYUKIXJLOX-UHFFFAOYSA-N 486.557 5.001 30 20 JKED COCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 520940088 CZSCSBPRYCCIFJ-IRXDYDNUSA-N 465.541 6.341 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 521060865 IPOGNASSAFBKQL-UHFFFAOYSA-N 460.336 5.563 30 20 JKED C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)Nc1ccccc1SC[C@H](C)C#N 521480158 TUEDMLQAJLPOFW-ARGWCVDVSA-N 476.465 6.305 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 522870699 OWRZCNRGNRXFID-UHFFFAOYSA-N 492.399 5.268 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c12 523230514 DVCXODMPWHYDHV-LJQANCHMSA-N 454.486 5.951 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCC(C)(C)c2ccccc2Cl)cc1 524433326 VGLVIUBOIGWUFU-UHFFFAOYSA-N 477.948 5.045 30 20 JKED CCC(=O)Nc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524441588 QYVLOVDEIAYLPC-UHFFFAOYSA-N 462.937 5.461 30 20 JKED Cc1ccccc1NC(=O)Cc1nc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cs1 556405610 DBGCETNSEOLHCZ-UHFFFAOYSA-N 486.622 5.940 30 20 JKED COc1ccc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC(F)F 557080879 RJYXADMAJMCEJZ-UHFFFAOYSA-N 453.445 5.624 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)c3sccc3Br)nc3ccccc3c2=O)cc1 578167331 LTCRNXDVLVQFLS-UHFFFAOYSA-N 482.384 5.056 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 590235492 UPEODEXHYDUMMP-UHFFFAOYSA-N 469.788 5.767 30 20 JKED C=CCN(C(=O)c1cc(Br)ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459318 NSFUDOBDPMWYSK-UHFFFAOYSA-N 462.300 5.453 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 603521389 MOYCLLQGEFEUPA-UHFFFAOYSA-N 467.569 5.323 30 20 JKED C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)Nc1ccc(CC#N)cc1 603650742 KOUQOWVZKLDGFC-VGOFRKELSA-N 454.961 6.628 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OCC(F)(F)F 603692378 RHPMNYGTWHEHOZ-UHFFFAOYSA-N 472.423 5.017 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1cccnc1SCc1ccc(Br)cc1 603737257 FQZUASFRNUVSED-UHFFFAOYSA-N 452.377 5.280 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c3c(C)noc3n2)c(C)o1 603764918 QSWHJQUUXSWMOE-UHFFFAOYSA-N 465.469 5.719 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCN(c4nc5ccccc5s4)C3)s2)cc1 603835962 DOXKGCSUXJZPFR-SFHVURJKSA-N 459.600 5.070 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1C 603902213 PUOUVNPTXGRUCN-UHFFFAOYSA-N 482.613 5.044 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 604495276 LMJPGAHQUABHDX-UHFFFAOYSA-N 485.407 5.049 30 20 JKED CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 608926156 GSXWHQJQJMGEHU-UHFFFAOYSA-N 459.550 5.245 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609111303 FOJPPMBFDQZLGS-SIBVEZHUSA-N 485.559 5.214 30 20 JKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 609163972 DTIVAHCCFLGCGH-HSZRJFAPSA-N 473.001 6.274 30 20 JKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609438893 ZNWXCJXHZKZJCI-MHECFPHRSA-N 491.588 5.267 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 613403930 LLDSOOHDWYKBLG-HXUWFJFHSA-N 486.478 6.259 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1[C@H]1COc2ccccc2O1 613907268 CQXROARZRZIVDX-UZUQRXQVSA-N 490.585 5.035 30 20 JKED Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)CCCC2)c1 619673732 GEEQZOJCZKZMRP-UHFFFAOYSA-N 465.600 5.024 30 20 JKED Cc1nn(CC(F)(F)F)cc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517170 BKZDXFISXDDZOP-HNNXBMFYSA-N 489.338 5.005 30 20 JKED Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F 623441574 GZSJTGZCAMHCJM-URLYPYJESA-N 457.358 5.202 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1OC 624477370 LQYGXISAQXJUNT-HXUWFJFHSA-N 480.406 5.127 30 20 JKED O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 624888039 NTAOAIKQWYMKFD-HLLBOEOZSA-N 476.383 5.030 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCc3c(Cl)cccc32)cn1 726116741 JTYIDUVFBDIXJP-FGZHOGPDSA-N 494.020 5.204 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3c(F)cccc3F)n2)c1 726216656 BMDCEHFJUKCZTN-MRXNPFEDSA-N 469.513 5.197 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cc(F)ccc1N1CCN(C)CC1 726280552 VUXZENCZOIVBGY-IBVKSMDESA-N 471.580 5.116 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cc(C)on2)c1 726404843 GIIGIMSGZVUJTE-VWLOTQADSA-N 494.576 5.278 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726404984 BACHRHHRCTXELQ-IBGZPJMESA-N 491.400 5.244 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2cccs2)c1 726405268 MDGNZHFNCXIVFM-HSZRJFAPSA-N 487.606 5.093 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)cc1F 726411572 NDMGZQHJDRBEJB-FQEVSTJZSA-N 477.508 5.015 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2ccco2)c1 726411583 JADZAKQYIJIQFU-HXUWFJFHSA-N 498.391 5.728 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2[nH]c(C)c(C(C)=O)c2CC)[n+]2ccccc2CC)c1 726573203 QQHPHUHYRMGKHO-UHFFFAOYSA-O 458.607 5.243 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2occc2COc2cccc(C#N)c2)cs1 726689269 MFIMHTBPPFSMGZ-UHFFFAOYSA-N 487.537 5.537 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC)c(Cl)c1 726892675 WDDKWDBLARVDEN-GOSISDBHSA-N 466.390 5.291 30 20 JKED CC(=O)NCCCc1ccc(C2=NN/C(=N/[C@@H](C)c3ccc(Cl)cc3Cl)SC2)cc1 727172208 JQSMHNCYHXETFH-AWEZNQCLSA-N 463.434 5.220 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 728031781 BSJRTEOMFVLJJS-JTSKRJEESA-N 485.540 5.001 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(Cc3ccco3)C2=O)cc1 728420979 LYPUHLWKPVKZOA-FQEVSTJZSA-N 498.486 5.331 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)cc1C 729142218 HTUCCQJBPRXBNZ-HXUWFJFHSA-N 482.606 5.368 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1 729146522 SFDUSVIOTSNERG-LJQANCHMSA-N 486.569 5.199 30 20 JKED C[C@H](c1cccc(N=Cc2cc(Br)cc(Br)c2O)c1)N1CCOCC1 729148697 DGLQFEXEEFKHRS-CYBMUJFWSA-N 468.189 5.061 30 20 JKED N#C[C@H](C(=O)c1sccc1SC(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 730688392 VVOKEAKEESACDD-SNVBAGLBSA-N 461.367 6.983 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(I)c1 730919473 DIHBAFWCHHTQGP-OAHLLOKOSA-N 488.306 5.106 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 731060252 DJSCUQCDWCGUCH-MNTXUITRSA-N 480.586 6.004 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 731061158 QARMOXJQXJWXFM-UOBPLZBXSA-N 480.586 5.861 30 20 JKED N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 731136639 SCLABFQAZIFKNW-OAHLLOKOSA-N 486.218 5.976 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)cc1 731305203 JFFCHIUHSVGYCS-UZUQRXQVSA-N 474.586 5.071 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c(C)c1 731309000 RUNNAHUQPMQDJA-FDDCHVKYSA-N 477.586 5.194 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1F 743525395 QBQASUREOAVNEC-IBGZPJMESA-N 497.514 5.150 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O 747061026 AYFVUHQRQXHXAL-YFHOEESVSA-N 487.917 5.349 30 20 JKED COc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)cc1OCCCC#N 747361197 GQPBLOMJLWGCBE-ULJHMMPZSA-N 452.510 5.414 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)c1 747600331 PPLFLEJEFRJWEI-FQEVSTJZSA-N 468.579 5.060 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 748031720 JJUSVMUSRFIBBG-UHFFFAOYSA-N 450.873 5.368 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(SC(F)F)cc1 799210381 RGKGZAYWKYAUSO-INIZCTEOSA-N 471.501 5.260 30 20 JKED CC(=NOCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2n1C(F)F 836978811 WEPBEOIWBCMNAZ-UHFFFAOYSA-N 460.790 5.483 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1F 837300255 AAASUBFHFLWCAM-VFNWGFHPSA-N 466.513 5.081 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 837485282 MDVIJAAQLCTTRA-AOMKIAJQSA-N 496.995 5.904 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1Cc1ccco1 838533534 JUKJFALKXFKKRP-OAQYLSRUSA-N 499.976 5.111 30 20 JKED CSc1nc(C2CC2)cc(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)c1C#N 904487193 AVFPLMHXLJDEKQ-UHFFFAOYSA-N 451.515 5.003 30 20 JKED O=[N+]([O-])c1cccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)s2)c1 912803593 KRYJRCSACVGXTH-UHFFFAOYSA-N 455.952 5.743 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(Cl)cc1 914598089 XTXPXKZDJLNDQE-CYBMUJFWSA-N 487.994 5.293 30 20 JKED CCc1nnc(S)n1N=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 916301237 ZOCZOGSWOSMZMH-UHFFFAOYSA-N 496.228 5.115 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 916954527 ISQYSNBUGKTFAM-MZNJEOGPSA-N 467.573 5.293 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O[C@H](C)C2 917042351 FASNWDSJXPJHGE-HUIAQSGMSA-N 472.488 5.927 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cccc(C)n3)C2=O)c1 917687752 UYJWDYWIPKZHEI-XMMPIXPASA-N 490.604 5.615 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(C3CCCC3)C2=O)cc1Cl 917705260 YFOMTXKELFJHAM-OAQYLSRUSA-N 482.993 5.123 30 20 JKED CCCCCCC[C@@H](C)CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 917871949 AWPQTKZUESRYLX-GOSISDBHSA-N 451.449 5.414 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)/C=C\c4ccccc4)cc3)cn2)cc1 918586784 IOELTCRPEXPRGG-MSUUIHNZSA-N 496.548 5.410 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCSc1ncnc2sc(C)c(C)c12 920109876 UWBKDNSZBFGGCX-SFHVURJKSA-N 466.632 5.263 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1cccc2ccccc12 920111006 XLEASFGXGAKMTA-INIZCTEOSA-N 451.960 5.568 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 920111847 QXNPTPHYVYWRFZ-LJQANCHMSA-N 489.890 5.368 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc(C)on2)c(Cl)c1 920355656 LNQSEANLUUNAKX-HXUWFJFHSA-N 482.993 5.414 30 20 JKED CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 921115464 GEYWAXVFRREXNE-QFIPXVFZSA-N 478.593 5.243 30 20 JKED Cn1c(O)nc2cc(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)c(C#N)c3)ccc21 1628978261 XRQWUUOWYRVPOM-UHFFFAOYSA-N 452.392 5.214 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(OC(C)C)c(Cl)c1)C2 1779512081 GFBNKYIGZCVWSI-YIXXDRMTSA-N 491.072 5.247 30 20 JKED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(-c5ccc(CCCC)cc5)cc4)C[C@@H]32)C1 1783465419 WPGCDKQUCGLDQD-ZXRKZBAXSA-N 486.656 5.256 30 20 JKED COc1ccccc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1786240173 UWSHQUYHZALXIQ-UHFFFAOYSA-N 467.569 5.142 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnn(C(C)(C)C)c4)cc3)CCC2)c1 1787072333 NNPRZIIEZQZLRA-IBGZPJMESA-N 469.589 5.327 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)C3(C(F)(F)F)CCC3)cc2)CCC1 1787935180 AYOLTLGPNMZBFG-MDZDMXLPSA-N 476.520 5.354 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(C)cc3)cc2)CCC1 1788359856 WEEHQSYWGMUBEN-OAQYLSRUSA-N 484.600 5.606 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]21 1788522746 KZMMKHAEQZWUMO-WLQCWRCUSA-N 499.095 5.362 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789628525 XKERROJELIUYOM-AJSBUHFISA-N 495.664 5.511 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)no1 1790081842 UKPIWEINIMHIBD-UHFFFAOYSA-N 462.937 5.385 30 20 JKED Cc1cnc(Cl)c(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)c1 1790519133 IQZLQKWBSKYROP-UHFFFAOYSA-N 476.939 5.045 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c(O)cc4O)cc3)CCC2)cc1 1790596416 AYMRCEKQZVKRKA-UHFFFAOYSA-N 489.959 5.003 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nc[nH]c45)CCC3)cc2)c(Cl)c1 1790766913 GTNXEEDRLNRUFD-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(OC)cc4[nH]3)CCC2)cc1)C(F)(F)F 1791302759 IUHVYIJAGVEGAB-UHFFFAOYSA-N 457.452 5.043 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1792171657 ULFURSPGEYOAOB-HNNXBMFYSA-N 464.459 5.183 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C(F)(F)F)c4F)CCC3)cc2)CCC1 1792233671 YUGSFUHKROSAGT-UHFFFAOYSA-N 459.443 5.286 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793210845 USTOWOONKKOLGB-IZYRAQSGSA-N 461.071 5.171 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(ccc4ncccc43)s1)C2 1798592734 XFCYUBIGLKAVMR-REPLKXPHSA-N 461.631 5.694 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C3)cc(C(F)(F)F)c1 1800740985 TYCBYLDHAQSUFD-ACDBMABISA-N 495.423 5.161 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2C)[C@H]1c1cccnc1)c1ccccc1 1802703660 DEKYWBGTCNWFMB-MAARLIENSA-N 483.587 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802830400 MHHPDQXUOXIXQG-CKUXNOBLSA-N 468.041 5.537 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809212932 NULWJYQRPFEUML-JPYJTQIMSA-N 466.006 5.073 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1809303322 PWJXYZHJMANBCA-AHWVRZQESA-N 470.617 5.250 30 20 JKED O=C(CC(F)(F)F)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)C1 1809491221 PZGPPCXYPSIJQT-UHFFFAOYSA-N 488.831 5.295 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1810494321 HFTILRYFMIULHS-LEAFIULHSA-N 496.655 5.764 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1811185933 HYBPLDZOFNJGKQ-ITHJLQSDSA-N 486.660 5.160 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811434110 AXNPDYKSVIXSOT-HYBUGGRVSA-N 480.008 5.793 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc(F)cc2)[C@@H]1c1cccnc1 1811550498 HAUMRKJGJDDDCE-CKOJHNACSA-N 498.602 5.371 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)s3)[C@@H]2c2cccnc2)c1 1811936286 OTLKVKJHJSSJBM-PXDATVDWSA-N 486.641 5.254 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@@H]1c1cccnc1 1812053604 MWIBHUHRNDMIIR-WJPUGNRLSA-N 495.929 5.165 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(O)c3cc2OC)[C@H]1c1cccnc1 1812193551 YLIRTJOSERKINK-NEKDWFFYSA-N 499.611 5.037 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)N(CC)CC)[C@H]1c1cccnc1 1812425582 VNXFBDKKZXYWLJ-ZONZVBGPSA-N 490.692 5.163 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812514095 FKMMXZVVOWNGMX-UGKGYDQZSA-N 487.978 5.074 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@H]1c1cccnc1 1812588510 NOXYQLUKUPSLIL-CEXJFXJFSA-N 484.522 5.114 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1 1813050664 GTZLMWNGPGAQLW-LBNVMWSVSA-N 471.645 5.101 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1813227518 FJIZPRWQCCLLKE-NTKDMRAZSA-N 472.416 5.210 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)nc3)[C@@H]2c2cccnc2)c1 1813862912 AVDCRUJUQNONRW-ZJSFPPFMSA-N 495.627 5.035 30 20 JKED CCSc1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814355434 LUWGBPUTOHLDNE-HXUWFJFHSA-N 495.008 5.061 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)[nH]n2)c1 1814739840 ITXFYDUATBDVNG-VWLOTQADSA-N 481.600 5.028 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)[nH]n1 1819307245 QNKSGKUVBFUTBO-PZJWPPBQSA-N 462.550 5.239 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)[nH]n1 1819384085 CMVMUJKAELUWOS-HXUWFJFHSA-N 487.627 5.099 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[nH]n1 1819553909 ZAISSKKFIJOFFT-XDDOSOJWSA-N 489.664 5.772 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1)c1ccccc1 1820547404 SPJVQBMHWLBQLL-UKILVPOCSA-N 455.562 5.027 30 20 JKED COc1c(C)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1C 1821229308 QPAUDXQRCOOQBO-QFIPXVFZSA-N 491.979 5.180 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)n[nH]1 1821270566 UMUTVHSSZFMGEB-IBGZPJMESA-N 486.498 5.090 30 20 JKED C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)sc2C1 1821274509 HQHKPKBGCNJXDL-HXUWFJFHSA-N 482.609 5.092 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821524275 ALBGOQAGBDJTQH-FQEVSTJZSA-N 466.607 5.222 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)n[nH]1 1821849219 GFGGYXRZHCOTIS-FPOVZHCZSA-N 474.527 5.432 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)[nH]n1 1821924621 FGVYUURCUOJPAD-KDOFPFPSSA-N 474.487 5.109 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1)c1ccc(F)cc1 1822288656 PDUFYWDPJIPNHQ-RSXGOPAZSA-N 487.579 5.361 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)S)n[nH]1)c1ccccc1 1822385307 PAMLESWPANUUMF-OPHFCASCSA-N 499.725 5.075 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)[nH]n1 1822393063 ICNZGSXYWQWBEL-SANMLTNESA-N 481.600 5.647 30 20 JKED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1ccccc1 1823495259 DMWOZJIMERTPLW-ZHRRBRCNSA-N 461.953 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(=O)OC(C)(C)C)CC1 1823750954 GKEBCFLRVPLYCP-JOCHJYFZSA-N 462.675 5.111 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C#N)CC1)c1ccc(Cl)cc1 1824248314 SIQFOFRLZZWSME-PKTZIBPZSA-N 458.046 5.249 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1824499624 IKNGFFQJXRVESJ-DEOSSOPVSA-N 472.029 5.037 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1824879915 IMIIUOBEFWHDMC-NIYFSFCBSA-N 496.026 5.582 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1)c1cccs1 1827680124 JBMTVMTVFOSMPN-BWSGXRDBSA-N 499.076 5.393 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828199673 KGWGSLDZGKPGCO-HHHXNRCGSA-N 486.015 5.173 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)cc12 1828577507 LJOJELVLOCITFV-SANMLTNESA-N 472.564 5.034 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(F)ccc(F)c2F)CC1 1828822094 WPPRKNMWUDLOBN-CVDCTZTESA-N 462.556 5.035 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cncc(C(F)(F)F)c3)CC2)c1 1829418873 DFSWQRRBUGCUSF-UUOWRZLLSA-N 498.549 5.275 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829657148 LEBNRRSNXVTEGY-QFIPXVFZSA-N 498.998 5.158 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c1 1829679653 WOJJGDQAUJVYSO-XMMPIXPASA-N 491.657 5.054 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829707393 IVVKIWUAZLCEJE-JIPXPUAJSA-N 478.608 5.317 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2)CC1 1829962803 VIXFGBFQXYZGSV-DEOSSOPVSA-N 456.678 5.110 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471714 KYAYITDORYQENO-AUSIDOKSSA-N 461.046 5.573 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Cc2cccc(Br)c2)CC1 1831715328 DVRFSDZCYZVXOQ-GBXCKJPGSA-N 487.482 5.051 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1831858691 FPFXVIFIDCTQMX-HSZRJFAPSA-N 469.423 5.412 30 20 JKED Cc1cc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c(C)c1 1832576437 JUHGJEWHSILMND-AREMUKBSSA-N 457.618 5.225 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c1 1832632733 BLERMGBWXXSQFU-SIBVEZHUSA-N 486.641 5.470 30 20 JKED COc1cc(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633328 GQDYVHUMDYFLSZ-ZBLYBZFDSA-N 473.617 5.178 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc(C(F)F)c3)CC2)c1 1832634613 NQSSJJVYLKTDKZ-HOYKHHGWSA-N 480.559 5.193 30 20 JKED Cc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832701572 MNHBHGQUJZPPBI-HSZRJFAPSA-N 479.646 5.263 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832704987 UNOFKDXAJUGOJZ-FQEVSTJZSA-N 472.498 5.459 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)CCC1 1832784153 JTTKOSLFUCFIET-QFIPXVFZSA-N 486.538 5.114 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)CCC1 1832785809 JNNDRAWEFPEHAM-RUZDIDTESA-N 471.601 5.406 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)CC1 1832828306 ZXCSUESTLIUHBU-DEOSSOPVSA-N 495.664 5.297 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)ccc2c1=O 10235756 FSJFZTKPOZHAGX-UHFFFAOYSA-N 497.045 5.528 30 20 JKED C=CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 10533103 DULRFGQIDAHOQY-UHFFFAOYSA-N 462.478 5.250 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(N(C)C)cc1 14871724 STEIQKOATVGENT-UHFFFAOYSA-O 473.449 5.960 30 20 JKED C=CCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)c1nc(-c2ccccc2)cs1 16469447 MWCBFABKYQVWLE-UHFFFAOYSA-N 460.555 5.385 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2sc(-c3ccccc3)cc2c1=O 20790910 QQUASMJZZAAOJF-UHFFFAOYSA-N 499.564 5.643 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)cc1 22801421 HEDQHSMRZMXWPN-UHFFFAOYSA-O 474.433 5.369 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccc(OC)cc1 23997999 JMWWYULJIPGXEH-ZDUSSCGKSA-N 469.567 5.008 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H](c3ccccc3)N3CCCC3)c2)cc1 71919677 IWHRYNTXLWCMIZ-HHHXNRCGSA-N 454.574 5.290 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(OC(F)F)c2)c1 107887901 MQQZZOYCWILVIV-UHFFFAOYSA-N 492.931 5.575 30 20 JKED COc1cc(OC)cc(-c2nnc(S[C@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)c1 207504491 OOOMIRYBZRNUHR-YZLQOSHFSA-N 465.575 5.115 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccccc1F 218660582 MBFAWAITWKBNML-CQSZACIVSA-N 462.953 5.202 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1 302955116 BGAXAGOZWMLONC-UHFFFAOYSA-N 462.918 5.785 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)c2c1C 303301040 CSJGBVYSMYRDSP-OAHLLOKOSA-N 465.648 5.558 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 303335441 XLAIUBWCLPJKKG-MRXNPFEDSA-N 463.024 5.317 30 20 JKED COc1ccc(-n2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)n2)cc1 410050718 UUHIRHMDBFBYSW-UHFFFAOYSA-N 483.475 5.071 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OC(F)F 481622430 IPYAGTDXOJUSMM-UHFFFAOYSA-N 499.489 5.940 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c3cnn(C(C)C)c3n2)c(C)o1 481934433 YTOZIIHETLARNU-UHFFFAOYSA-N 497.477 5.954 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ncc(Cc5ccc(C#N)cc5)s4)nc(O)c23)C1 487320077 LKHOSULMGUNUSG-CQSZACIVSA-N 489.626 5.012 30 20 JKED COc1ccc(-c2cc(C(=O)N(CC#N)c3ccccc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 497352827 TTWHJOVESMNWSU-UHFFFAOYSA-N 473.536 5.575 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1 499100854 HPWJTONDFCAXJF-UHFFFAOYSA-N 462.962 5.836 30 20 JKED Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 502390438 HFTNJYFLYVWABW-HXUWFJFHSA-N 481.556 5.414 30 20 JKED Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)cc1 503002234 XJXTZEHRWORUNH-NRFANRHFSA-N 470.573 5.225 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 507074199 XYPWYDUPSSCMST-LJQANCHMSA-N 475.957 6.211 30 20 JKED N#CCCCOc1cccc(NCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1 511112079 SFTRUXRLVCSMOO-QHCPKHFHSA-N 462.937 5.405 30 20 JKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513872727 MJIYAHQPFZDQHQ-LJQANCHMSA-N 458.537 5.460 30 20 JKED CCN(CC)Cc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 514013822 RRMDLIMISBAQHV-UHFFFAOYSA-N 458.581 5.451 30 20 JKED C[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 515761069 FCVOUFPZNABOLS-KRWDZBQOSA-N 458.587 5.580 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)n2)cc1 516270181 OZGLHRMPYKZKKN-GOSISDBHSA-N 474.563 5.808 30 20 JKED C=CCN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1nc2c(s1)CCCC2 516464386 CUUAJJKBPBDNGM-UHFFFAOYSA-N 470.392 5.805 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 518662989 WWMLAHMIEJPZKH-XMMPIXPASA-N 487.406 5.892 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 518743148 OOPXCWLANZYAME-CABCVRRESA-N 466.632 5.487 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 519049753 CPRHISIMGUAHGS-UHFFFAOYSA-N 476.558 5.215 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cn1 519897100 QXNKECIGBIJJJW-UHFFFAOYSA-N 458.562 5.512 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)Cn4c([N+](=O)[O-])cnc4C)c3C#N)C(C)(C)C2)o1 520086553 YPAQKJOZWPXJQA-VURMDHGXSA-N 477.546 5.351 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)cc2)c1 520918070 SZKWPGPKCRKCGZ-UHFFFAOYSA-N 450.454 5.718 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 521448985 ZGYKUEYHABFSBR-HHHXNRCGSA-N 460.537 5.797 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 521451654 BPGZCUYRDIQTDS-UHFFFAOYSA-N 465.893 6.000 30 20 JKED CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 521732928 ADVZTQRRGZTIBO-UHFFFAOYSA-N 485.553 5.040 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccccc1)Cc1ccccc1F 589242084 PJFBZLJUHNWCJE-BWTSREIZSA-N 476.436 6.447 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 590325759 YEECOZSBLCRNFN-UHFFFAOYSA-N 469.541 5.278 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c([N+](=O)[O-])cc1OC 603613662 JVNJZXAISLPPLN-CYBMUJFWSA-N 478.313 5.532 30 20 JKED O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604258325 YNDIGKQVFQPXFK-QWRGUYRKSA-N 481.315 5.005 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 604490665 OAAJVZLQHNXXLP-MUUNZHRXSA-N 469.610 5.344 30 20 JKED Cc1nc(-c2ccccc2)sc1CNC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 609006020 QTSKRHZHISAVDI-UHFFFAOYSA-N 496.592 5.019 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 609060694 BAXKMFPAGOZUOV-UHFFFAOYSA-N 494.448 6.042 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(Oc4ccc(Br)cc4)nc3)CC2)c1 609185087 RYTHQVHNHXISKI-UHFFFAOYSA-N 478.346 5.192 30 20 JKED N#Cc1cccc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)c1 609405222 RBIIFRPYDPFZDW-OAQYLSRUSA-N 456.304 5.043 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609431124 VEMFEFGSCJUPJO-LBPRGKRZSA-N 461.431 6.169 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1OC 613933321 RIOKBJUGZMLILW-UHFFFAOYSA-N 477.417 5.197 30 20 JKED Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)n1 618542682 AMEBEXQSQPRBKH-BETUJISGSA-N 452.374 5.223 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 619365090 ZIZCIWDDPCLJRW-CHWSQXEVSA-N 480.380 6.221 30 20 JKED O=C(c1cncc(C(F)(F)F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517543 LKPNUMSFQWEBLY-HNNXBMFYSA-N 472.307 5.352 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2Cc2ccccc2)nnc1-c1ccc(Cl)cc1 645082577 WRERQOQSBLATDZ-NRFANRHFSA-N 453.011 5.110 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cc(F)ccc1N1CCN(C)CC1 726280551 VUXZENCZOIVBGY-FQRUVTKNSA-N 471.580 5.116 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC[C@@H](C)OC)c1 726398040 JSUVLAHDPIFKSE-IERDGZPVSA-N 490.025 5.042 30 20 JKED N#Cc1ccc(NC(=S)NCc2ccccc2-c2ccc(Cn3cncn3)cc2)cc1Cl 726477729 UFRBJWWEWYSUAK-UHFFFAOYSA-N 458.978 5.005 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)C=C1 726570527 DEXAKZOJHBNBKP-UHFFFAOYSA-O 477.997 5.229 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)N[C@@H](C)c1cccs1 726576359 CRNRIWHSBFIWSI-SFHVURJKSA-O 480.679 5.566 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(OC)nc1 726888088 LDRSHFDGQDYUGB-QGZVFWFLSA-N 494.589 5.165 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC(C)C)cn1 726888689 CTMZGEZLLNZKRM-MRXNPFEDSA-N 481.405 5.013 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(Cc3c(F)cccc3Cl)o2)cc1 727265421 GVFNEUXQQGXTLJ-HNNXBMFYSA-N 458.946 5.189 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)cn2)c1 728116228 GXPKWWVATQGOQC-OAQYLSRUSA-N 452.436 6.133 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)c1 728126230 RSMIHNHSZUVOOB-MRXNPFEDSA-N 450.283 5.161 30 20 JKED Cc1ccccc1-c1nn(CN2CCCN(c3ccccc3C#N)CC2)c(=S)n1Cc1ccco1 728708825 ISTRACIBRKXLMV-UHFFFAOYSA-N 484.629 5.072 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCCCC#N 728780266 PDNRSOONCIQDMA-NRFANRHFSA-N 454.640 5.227 30 20 JKED CC(C)c1ccc([C@H](CNC(=O)c2ccccc2SCC#N)NC(=O)OC(C)(C)C)cc1 728884184 QODKQTKRYKDIPB-NRFANRHFSA-N 453.608 5.421 30 20 JKED Cc1ccc(CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C(C)C)s1 729034724 OESUMAMKKZZOPC-YYDJUVGSSA-N 476.668 5.092 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 729891151 DFMFPCBBBUOCCG-QZTJIDSGSA-N 469.994 6.172 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C1CCC1 730461232 AAXPYLRNFHDDHU-HSZRJFAPSA-N 454.555 5.224 30 20 JKED Cc1ccc2c(c1)[C@@H](N1C(=O)[C@@H](CC(=O)Nc3cnccn3)SC1=Nc1ccc(Cl)cc1)CC2 730717474 NFNJSMKRSSEJPA-LEWJYISDSA-N 492.004 5.086 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730942080 CPYGKUNRPGXBHW-FDDCHVKYSA-N 474.586 5.120 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 730943797 KSQZKIFNQYKULA-YCRPNKLZSA-N 466.513 5.081 30 20 JKED Cc1csc(SCc2c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)oc3ccccc23)n1 730989131 HSOXTNOQXXPXQO-HNNXBMFYSA-N 479.652 6.994 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)Sc1ccc(Br)cc1 731074222 LPSQLXZGFOZLFM-GJZGRUSLSA-N 493.448 5.363 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731305980 QUPLATMHOTUKHY-YCRPNKLZSA-N 480.977 5.162 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1Cl 731309257 QYXVBSKSICIIJN-QFIPXVFZSA-N 495.988 5.215 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 731400001 KDCJNYYAROZKQD-LPHOPBHVSA-N 458.425 6.082 30 20 JKED COc1ccccc1[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nccn1C 731400348 NPZNLCMWNMMQNH-DEOSSOPVSA-N 453.502 5.004 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(Nc2cccc(Br)c2)sc1=S 746050674 YOTNEGXFVIVPNQ-UHFFFAOYSA-N 490.452 5.158 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCc1nccs1 747603353 UERSINMJSFUKNJ-LJQANCHMSA-N 485.034 5.308 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3c(Cl)ccc(Cl)c3C2=O)cs1 748584348 REAPGJSFFQDJRE-WQLSENKSSA-N 479.772 6.447 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(F)(F)F)cc1 799215411 NAMRUAIOPLCNHB-SFHVURJKSA-N 467.488 5.472 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)c(C)c2)C1=O 812369544 PJARBKRAZUROEG-HSZRJFAPSA-N 477.561 5.303 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccs2)C1=O)Nc1ccc(F)cc1F 837773544 KVAYFFIWBQAGKU-HXUWFJFHSA-N 489.544 5.368 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CC(F)(F)F)cc1 838068534 RNVNTRHCHNJADL-INIZCTEOSA-N 489.878 5.010 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 839415537 LTNZMKWQMDBDHH-UHFFFAOYSA-N 484.560 5.079 30 20 JKED CC(C)(C)Sc1c(Br)cccc1CNc1ccc(N2CCC(O)CC2)c(C#N)c1 864023458 LGUMEQPCMGCAGA-UHFFFAOYSA-N 474.468 5.785 30 20 JKED O=C(Nc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1Br 880552020 OFVVNKDEDDNSIC-UHFFFAOYSA-N 496.364 5.749 30 20 JKED C=CCn1c(SCC(=O)Oc2cccc(NC(C)=O)c2)nnc1-c1ccc(Cl)cc1Cl 904791304 HFJKJECEUDVMLM-UHFFFAOYSA-N 477.373 5.094 30 20 JKED N#C[C@H](C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1nc(-c2ccccc2)cs1 914527869 SNTKIWKTKOEKEA-MRXNPFEDSA-N 496.415 5.326 30 20 JKED N#C[C@H](C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1nc(-c2ccc(Cl)cc2)cs1 915101755 KRUXQXYDMSPIDT-LJQANCHMSA-N 462.962 5.057 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102862 JOSXJAMSNDFIOM-AWEZNQCLSA-N 475.382 6.037 30 20 JKED O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1ccc(O)c(CN2CCOCC2)c1 916130216 LAQPQLDOWUAACI-FNORWQNLSA-N 485.403 5.007 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 916215164 DZQPNPZZVMIDAA-LJQANCHMSA-N 463.525 5.774 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1F 916217808 WZGYOYVCOCUXGN-JPYJTQIMSA-N 495.551 5.257 30 20 JKED CCOc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(F)F 916679665 XPGJNZOIFKHNPA-OAQYLSRUSA-N 451.473 5.664 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCOc1cccc(Br)c1 916902623 GPMQBDYDCWZLKG-FQEVSTJZSA-N 457.368 5.080 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1nccn1-c1cccc(C)c1C 916907137 LDVANKWATYSUDL-NRFANRHFSA-N 460.603 5.054 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 916907421 MQHMSGZEWFBVMC-VWLOTQADSA-N 452.554 5.789 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1 916913768 RRTBAJNKUFXNLT-FQEVSTJZSA-N 458.905 5.309 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 916935424 QEZOUJMPTWSUSP-OICCZTGUSA-N 486.368 5.102 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1Cl 916939342 QOAKICFESNACQE-KRWDZBQOSA-N 489.837 5.516 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)OCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977025 ZZGMRPBQUCMMFS-LJQANCHMSA-N 453.951 5.346 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916977625 VHPSEPYCCPAWRF-XLIONFOSSA-N 464.978 5.584 30 20 JKED N#Cc1cccnc1NCCNC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 917154128 GLLGSQJKRQXAGM-UHFFFAOYSA-N 462.962 5.487 30 20 JKED CC(=O)C1=C(c2ccc(C)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1ccc(S(C)(=O)=O)cc1 918169345 DIOYJAPPYOLDBA-RUZDIDTESA-N 492.572 5.117 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1 918566606 WFVKJFBBJGSGPN-HHHXNRCGSA-N 479.605 6.617 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cn2c(SC(F)F)nc3ccccc32)cc1 918659946 VVGLLVOVIPQSMY-UHFFFAOYSA-N 478.524 5.635 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3c(ccc(Cl)c3Cl)C2=O)cs1 920066088 LBZYDDAUHUBSOV-WQLSENKSSA-N 479.772 6.447 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920142542 QLEBOIANRBDUKB-HXUWFJFHSA-N 458.543 5.448 30 20 JKED C=CCn1c(SCC(=O)OCc2cnc(C)s2)nnc1-c1ccc(Cl)cc1Cl 920349815 ZKVSEAQTEDFEKH-UHFFFAOYSA-N 455.392 5.038 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2F)no1 920353703 QEUPOWBKGZOAKA-QHCPKHFHSA-N 488.544 5.436 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(OC)c1 920867860 HPAWBAHSKLBGMI-KOSHJBKYSA-N 491.613 5.091 30 20 JKED COc1cc(-c2cc(C(=O)N(CC#N)c3ccccc3)c3ccccc3n2)cc(OC)c1OC 920976128 HGOJGIYSLOXELO-UHFFFAOYSA-N 453.498 5.098 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2SCc2cscn2)c1 928985647 FRLLVWRHAJSLAE-IBGZPJMESA-N 479.627 5.544 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCOCC(F)(F)F)C2=O)cc1 932791120 HDNLYBQTGDKWEV-SFHVURJKSA-N 499.942 5.188 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](CCC)NC(=O)OCc3ccccc3)cc2)CCC1 1786007770 PNBLBAAMIZUTOW-RUZDIDTESA-N 489.616 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786182473 WWGGUTHHQYIPFS-DNQXCXABSA-N 495.664 5.582 30 20 JKED Cc1onc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)c1C 1786539376 BZVHTNUAERIHEG-UHFFFAOYSA-N 472.545 5.012 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1786678235 LUFRXSNTFBEKCE-UHFFFAOYSA-N 463.628 5.477 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4c(F)ccnc4Cl)cc3)CCC2)c1 1786987836 OCFIAOLVTAZJGA-UHFFFAOYSA-N 476.939 5.126 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4nc(C(C)C)cs4)cc3)CCC2)c1 1787004253 NVTXYENQTLOFRB-UHFFFAOYSA-N 474.586 5.208 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4nc[nH]c4c3)CCC2)cc1 1789508045 FWDWVOBZFYYFLF-UHFFFAOYSA-N 472.665 5.362 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5ccsc5[nH]4)CCC3)cc2)ccc1F 1790521283 WAPUVZKEPQNCEE-UHFFFAOYSA-N 472.545 5.231 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)cc2)CCC1 1790843402 BDTAEGTVBYDBII-INIZCTEOSA-N 470.495 5.313 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)CCC2)cc1 1791249931 DHKWIWTYXSRJBW-OAHLLOKOSA-N 470.495 5.542 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(N5CCCC5)ccn4)CCC3)cc2)c1 1792123859 RKPSJOOZZCBAQP-OAQYLSRUSA-N 493.611 5.370 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3cc(-c4ccccc4)ccc13)C2 1798331628 SQVPDDBITWSQQN-KIHHCIJBSA-N 468.601 5.250 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(ccc4ncccc43)s1)C2 1798333782 HNANEUDFTVAETD-IYWMVGAKSA-N 459.615 5.470 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cc3ccccc3o1)C2)c1ccccc1 1798554493 OYBWKLGPANDPOC-WVECAABJSA-N 466.581 5.281 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2[nH]c3ccoc3c2-c2ccccc2)c1 1799116645 MFYZOGWNEPFKHU-LZQXYRQZSA-N 492.579 5.621 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)cc2C)C3)c1 1800768095 OBHDAUXMSPZVOB-REPLKXPHSA-N 456.373 5.048 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1802389335 DKYSCXXZCFIBBL-MFMCTBQISA-N 494.639 5.104 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1802498986 DPGLKHKISMEHBD-HTAPYJJXSA-N 475.967 5.325 30 20 JKED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1802694236 NFOHCJILUZFQAD-ZJSXRUAMSA-N 493.051 5.193 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1802957489 AGVRSXXGQZVDQF-GCMXZSHTSA-N 486.660 5.054 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4nccc-4c3Cl)CC2)C1 1804858517 HMEGNDGNWXPMAZ-UHFFFAOYSA-N 457.018 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3cc(F)ccc3Br)CC2)C1 1805452162 QCMWZFSATPKVJF-UHFFFAOYSA-N 491.445 5.130 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4cccs4)on3)CC2)C1 1805456149 AKUXOLSWZCWWIP-UHFFFAOYSA-N 453.608 5.016 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(F)cc4Cl)C3)CC2)c(Cl)c1 1806557819 KURPUWCVVCKLCQ-UHFFFAOYSA-N 488.390 5.092 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808975343 KHCLSQLPBWWASG-VAVYLYDRSA-N 497.715 5.606 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809211981 HPRIXPGRTMOHSS-ZJBJCVSYSA-N 468.022 5.482 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1810175170 STDZNUFLAXFPQH-INNMJMHTSA-N 486.660 5.160 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1810183812 YCKMYXPDBRSVMB-MZEQIWSPSA-N 489.019 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1810499689 HFWVGWLWWLNZCN-XUZZJYLKSA-N 459.590 5.448 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1810501077 GQDQOJIAFOHKQF-NFBKMPQASA-N 487.566 5.721 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c1 1813869938 VCUSTIMTSPSBLK-IKKNDMBGSA-N 478.596 5.219 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)[nH]n1 1814445836 XQHDGXIIDXCTRU-OAQYLSRUSA-N 486.016 5.320 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n[nH]2)cc1 1816942095 FJEDNMYIVLQJCP-QFIPXVFZSA-N 495.505 5.043 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(-c4nccs4)noc3c2)n[nH]1 1818977734 HLABSMCFIWRGLD-BEFAXECRSA-N 490.589 5.193 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)c(F)c2)[nH]n1 1819300423 BDOAGZHFMNSVAM-UWJYYQICSA-N 458.965 5.205 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)[nH]n1 1819557013 TWXSKXBIXLFOBZ-NRFANRHFSA-N 486.016 5.320 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)n[nH]1 1820082632 XTCKDXDBMNEVGX-MHECFPHRSA-N 482.588 5.471 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1F 1820220076 JQBRLBUXPJZJET-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cccc2F)n[nH]1 1820421367 OAILIZHGSQIYJG-FQEVSTJZSA-N 472.612 5.045 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)[nH]n2)c1 1820484595 DKMPUNBAJPLGDN-FUDKSRODSA-N 473.964 5.044 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1Cl 1821179378 WHPKRJYSJDUTGN-JOCHJYFZSA-N 461.953 5.057 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)[nH]n2)cc1 1821182262 YBOJCWGCABDVMX-QFIPXVFZSA-N 495.505 5.043 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821271935 PTMKCQLHQDNANJ-QFIPXVFZSA-N 498.518 5.004 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)[nH]n2)c1 1821272662 MLUPBFZCLPYJBX-JTSKRJEESA-N 491.954 5.110 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c(F)c1 1821277385 YKUPZOKIGJVFSK-NRFANRHFSA-N 465.916 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c1 1821307354 PQZNTWDCTHEHRD-CJAUYULYSA-N 467.573 5.534 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821364067 GXVICFKVMWDRAG-JOCHJYFZSA-N 450.489 5.237 30 20 JKED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(OCc3ccccc3)cc2)C(C)C)[nH]n1 1821877673 FVSGJQJEWCKOCM-LSYYVWMOSA-N 484.600 5.054 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[nH]n1)C(F)(F)F 1821989572 NPGDAHVJXWUAHR-ZRCAFCQKSA-N 462.516 5.350 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@@H](C)c3ccccc3)n[nH]2)c1 1822044824 OWILTHAUZMVKLX-UMEGOILYSA-N 469.589 5.536 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)[nH]n1 1822404795 YEIMRUVYWJDYEU-KRWDZBQOSA-N 490.789 5.189 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(SC)cc2)n[nH]1 1822596878 PEQZLBXFSMOMBC-IRLDBZIGSA-N 452.624 5.135 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccccc3F)CC2)n[nH]1 1823445089 VJYDVSBVTHDLLA-QFIPXVFZSA-N 450.558 5.041 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@]3(F)CCCC=C3F)n[nH]2)cc1C#N 1823588848 PANSXTIMXLGCIF-FNZWTVRRSA-N 497.546 5.120 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CC2)C1 1823700119 LTTPBRSSBABUHB-VWLOTQADSA-N 494.035 5.727 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)C1 1823702349 LHWXXQLAAYFQMK-IBGZPJMESA-N 486.937 5.697 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC2)C1 1823704466 CWOBVFHMRHWHAV-XMMPIXPASA-N 489.701 5.048 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 1823753480 QRKAJYUXODWHCM-RUZDIDTESA-N 462.638 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1823755308 SHZLHTIYPJSPDY-XMMPIXPASA-N 462.638 5.302 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(Cl)n2)CC1 1824143011 DYLDXDLKIHJEQA-NRFANRHFSA-N 464.437 5.390 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1824143064 FDYXMLFSJMUVTK-IUKPUOCZSA-N 489.660 5.578 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1 1824144943 NKVBWSCWHDRUMI-SANMLTNESA-N 451.655 5.019 30 20 JKED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1824495064 UQWBLLRLXUQMPD-WXVAWEFUSA-N 499.655 5.086 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1824499918 RXLGKZCNTLTYEA-XMMPIXPASA-N 484.040 5.104 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)CC1 1824824230 IYXRJGPJHRERPS-RIGHGNHVSA-N 456.577 5.366 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1824960790 VVINCXBMEXDIRQ-XXBNENTESA-N 496.639 5.434 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1825095973 TWAHVWPUAIGOLZ-PJVOOKABSA-N 494.639 5.742 30 20 JKED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c3ccccc3n3ccsc13)CC2 1825124100 AOSYQFJWKCMXMD-LSDHHAIUSA-N 464.616 5.049 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1825219770 DDSOIICTNJTNQJ-QHCPKHFHSA-N 493.614 5.645 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826440132 AETUHRLOPBPLIR-HSZRJFAPSA-N 479.448 5.186 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1826690008 ISJRVHAMGBSARI-OAQYLSRUSA-N 453.970 5.137 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1828823138 QDUMSLDULKKILH-FTJBHMTQSA-N 480.649 5.046 30 20 JKED Cn1ccc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)c21 1828906324 GMLNAXMNPVKSEV-SANMLTNESA-N 491.752 5.463 30 20 JKED Cc1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)sc1C 1828906627 XVCHKSWSROTUNN-JOCHJYFZSA-N 473.759 5.044 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nc(CC)c2)CC1)c1ccccc1 1829032818 RBMOSGNJCWEKJD-URLMMPGGSA-N 485.672 5.383 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2cccnc2)CC1)c1ccccc1 1829035989 YLAAIIWMFOLXFA-VMPREFPWSA-N 485.672 5.221 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2Br)CC1 1829345947 MRMBETAGKOTDAO-HXUWFJFHSA-N 476.459 5.070 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829565045 KMVMXDPLUZJPSP-HOFKKMOUSA-N 499.655 5.431 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1Cl 1829689641 KRNSFHIPMKFFTM-QFIPXVFZSA-N 488.390 5.551 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)c1 1829957372 LEVOVQIEGIFSJU-HSZRJFAPSA-N 487.497 5.263 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976031 SXCMENBJUJJMLL-IIBYNOLFSA-N 468.425 5.028 30 20 JKED COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)ccc1C 1830067403 HIYIDQMQZIBDSU-VWLOTQADSA-N 482.741 5.288 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1830413176 CWGPFXFQEPTJPV-SIKLNZKXSA-N 494.661 5.188 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1)C(F)(F)F 1830534411 BXWYFSDWXZYPBJ-GOSISDBHSA-N 480.424 5.196 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)cc1 1830630001 DMEFPVKSZNGNLC-AREMUKBSSA-N 478.036 5.272 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)o1 1830755299 WIYVZESZAOWPJF-NRFANRHFSA-N 473.495 5.026 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)S)CC2)c1 1830778493 XEAOWJVHNLUTQX-HRAATJIYSA-N 481.500 5.124 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)CC1 1831238194 CLJFNJHOMSIMGQ-LQVFFPTPSA-N 491.720 5.504 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1831444009 GQKXHMOSPBAFAH-QHCPKHFHSA-N 485.550 5.332 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1831445680 RYFGLAAQYYWODV-CJFMBICVSA-N 488.619 5.021 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)S)CC2)cc1 1831846054 VFRRLKWCQCTEEM-NLFFAJNJSA-N 450.648 5.214 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccn(-c4ccccc4)n3)CC2)c1 1832634733 ZCUIWIYUFROWDG-RBISFHTESA-N 495.627 5.046 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1841627024 JYVYJNCAOYWWCS-XYVRPBRGSA-N 497.680 5.196 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)c(C)n1C 10832368 QMIVFWILAPZSBM-UHFFFAOYSA-O 453.031 5.513 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836747 ZNFJDFKWJNOZNE-UHFFFAOYSA-O 481.375 5.676 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2cccc(Br)c2)c1 11084916 AQKOFNWLOLWZDU-UHFFFAOYSA-O 457.417 5.051 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(CO)c2)c(C)s1 11153063 GOXYKIWKOBUNGH-UHFFFAOYSA-O 465.542 5.214 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c1 11259871 AJJFIGRBDAJYRH-UHFFFAOYSA-O 455.550 5.609 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2 11407926 DBCXDNQHJNVQLI-NBVRZTHBSA-N 465.534 5.450 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2Cl)c1 14373438 JDTGKRPXLQQOCC-UHFFFAOYSA-N 491.396 5.636 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2OC)nc2scc(-c3cccs3)c2c1=O 21382492 VOJYUPJBZIFHSM-HNNXBMFYSA-N 497.667 5.351 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2cc(-c3ccccc3)sc2c1=O 21494362 ZOPQIKNDONDSBZ-UHFFFAOYSA-N 493.610 5.059 30 20 JKED C[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)C(=O)N(CCC#N)c1ccccc1 21683708 MWHMGGZXEYZEGR-KRWDZBQOSA-N 474.611 5.089 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccc(F)cc1 24014547 RGFRBTWEFQXYTC-LBPRGKRZSA-N 457.531 5.138 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccc(F)cc1 24014989 KYYAFGDSFMGTES-AWEZNQCLSA-N 462.953 5.202 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)nc2ccccc21 24786817 POGFHWNBXUHEPD-UHFFFAOYSA-N 466.588 5.094 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cc(OC)c2c(c1)OCCO2)C(=O)c1ccccc1 26764019 ACFNESCXCUXRGH-XQNSMLJCSA-N 471.553 5.496 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc2sc(C)c(C)c2c1=O 28381051 SIIJPNAHJRZBDZ-UHFFFAOYSA-N 454.404 5.298 30 20 JKED COc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc(OC)c1Br 31776644 HZPSGPQCAHKXSX-UHFFFAOYSA-N 467.319 5.169 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 105608869 FOBGLUXTXXRCPW-NRFANRHFSA-N 482.609 5.181 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 108334750 AAYZBHXMKRHXPQ-UHFFFAOYSA-N 475.386 5.466 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3oc4ccccc4c3CSc3ccccc3F)CC2)nc1 195709971 OGGLJEIWLJTIBJ-UHFFFAOYSA-N 472.545 5.093 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 302924469 BPJZDUYHZFBCPD-UHFFFAOYSA-N 489.535 5.841 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1coc(-c2cccs2)n1 409476881 UVJFNJLNZPXWIG-UHFFFAOYSA-N 450.333 5.203 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)c2)c1 409794564 UZJRHXQEZRAZHK-WIOPSUGQSA-N 454.530 5.100 30 20 JKED Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cc4)c3)cc21 475237244 SJAJMEFWHCYQPO-UHFFFAOYSA-N 461.481 5.257 30 20 JKED O=C(NCC(F)(F)F)c1ccc(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)cc1 477939348 RIWQFRZRMDGVHQ-UHFFFAOYSA-N 484.371 6.056 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1 481380102 LJBXWODFLDCTSU-LJQANCHMSA-N 459.521 5.051 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481655218 IIPAOGNLGASVNY-DEOSSOPVSA-N 475.520 5.663 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)c(OC)c1 484191675 HSOWBHKYRJNIAO-UHFFFAOYSA-N 482.939 5.164 30 20 JKED CC(=O)N[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(Cl)cc1 487998464 XCSQTYANNNWCIS-VWLOTQADSA-N 463.940 5.147 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1ccccc1OC 496545868 AESLZZSBGYRCQF-UHFFFAOYSA-N 478.599 5.342 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccco2)c1 499409449 VJIJPBAVWXHICF-KRWDZBQOSA-N 458.967 5.148 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 501150501 NECHNTQHEODPJH-UHFFFAOYSA-N 472.520 5.364 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)nnc1-c1cccnc1 503715500 ZURKDZDCPUPYPN-UONOGXRCSA-N 464.620 5.215 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCN(C(=O)CCc4ccccc4)CC3)c2)cc1 506034232 ZNEGXJPKNVUGKM-UHFFFAOYSA-N 496.611 5.077 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc1 507900640 DELKQPIWBCPTCK-UHFFFAOYSA-N 472.501 5.380 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 508630404 DYCMUMWDXAWWHA-UHFFFAOYSA-N 453.567 5.767 30 20 JKED CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCC(=O)NCc4ccc(C#N)cc4)o3)cc2C1 510009635 AOPSMANLXABNAV-GOSISDBHSA-N 466.632 5.229 30 20 JKED COc1ccc2cc(CNC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)ccc2c1 510247587 YTBGKAKAHDLRAA-UHFFFAOYSA-N 461.572 5.186 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1nc2ccccc2s1 513654660 MVKVOYXYOMQNDH-FQEVSTJZSA-N 475.533 5.839 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 516252983 KFKZKQBCCKNSBU-NDEPHWFRSA-N 492.579 5.529 30 20 JKED N#Cc1cccc(COc2cccc(CNCc3cccc(NC(=O)C4CCCCC4)c3)c2)c1 517547324 NJOGONMQEGDMCX-UHFFFAOYSA-N 453.586 5.946 30 20 JKED N#CCCSc1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 518113041 KDHKDEVBWYEWSE-UHFFFAOYSA-N 476.215 5.018 30 20 JKED COc1cc(Br)c(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 519432867 DMDNNXVZWZKORW-CQSZACIVSA-N 495.464 5.732 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cc2)cc1 520653577 QAEQQCGSZDKNPU-UHFFFAOYSA-N 462.509 5.086 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccc(OC(C)C)cc1 521812933 NAUOTAAEWIVCHN-KRWDZBQOSA-N 479.512 5.255 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(NC(=O)NC2CC2)cc1 522344650 JJVKBAQGUIUVBB-LJQANCHMSA-N 485.563 5.454 30 20 JKED COc1ccccc1[C@@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 524363925 ZLWYEYOEWBDPIG-SFHVURJKSA-N 451.577 5.080 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)nnc1-c1cccc(C)c1 590449554 LQWOHOPQDFBVKR-UHFFFAOYSA-N 482.656 5.259 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)NCCSCc3ccccc3C#N)cc2)cc1 603650530 QECNNNPEHIIKIM-UHFFFAOYSA-N 474.586 5.264 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2[C@H](C)c2ccccc2)n(Cc2ccc(F)cc2)c1C 603917834 GGSASERGAXTRRA-LJQANCHMSA-N 488.592 5.096 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@H]3CC(=O)N(c4cccc5ccccc45)C3=O)c2)cc1 603953676 LPLWGTMCBVMIIB-SANMLTNESA-N 461.521 5.229 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 604211196 ZJLYOLYOVMIXDO-UHFFFAOYSA-N 454.313 5.254 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cc4)CC3)c2c1 604460694 UNJTXPKDEATVRY-UHFFFAOYSA-N 466.541 6.252 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 604562100 GLMISEVMLFZLJR-UHFFFAOYSA-N 466.497 5.868 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 608865594 QGTAGURAIVCQTQ-NRFANRHFSA-N 494.473 5.457 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1C 608962229 BOXNVOBILYEYJW-HSZRJFAPSA-N 466.944 5.087 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)cc2Cl)c1 609062996 OGDDUYUJKVOFME-DEOSSOPVSA-N 475.932 5.160 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609063775 KYLDQPJVFHDQOQ-UHFFFAOYSA-N 498.560 6.061 30 20 JKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C 609081075 ZOTIRZUAQYZYGY-UHFFFAOYSA-N 476.964 5.510 30 20 JKED COc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1NC(=O)c1ccc(Cl)cc1F 609165262 KGVWPQGVPVPVBJ-UHFFFAOYSA-N 476.895 5.471 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)CC(C)(C)C)nnc1-c1ccc(Cl)cc1Cl 609191413 LLJSWBAYPWLKBH-UHFFFAOYSA-N 466.438 5.318 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccc(OCc4ccccn4)c3)c2)cc1 609208771 DVZCFNFRRVYQEL-UHFFFAOYSA-N 450.498 5.646 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccccc1 609371539 NHTUJYHLTLURHY-ZWKOTPCHSA-N 465.648 6.041 30 20 JKED Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)c1 609382889 WLGKNUCAIGZEPC-SFHVURJKSA-N 465.600 5.300 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1CC 613426076 HKMXQVFGVCXBIK-INIZCTEOSA-N 456.999 5.378 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1oc2ccccc2c1CSc1ncccn1 621107187 HWLRJKVJTPTISW-UHFFFAOYSA-N 462.534 5.562 30 20 JKED Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)c(C)c1 622282566 BOIKBYNRGXUPJQ-MRXNPFEDSA-N 460.584 5.506 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1cccnc1 623014828 QOBXRHUEDUAVLO-XMMPIXPASA-N 473.577 5.005 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)C(C)C)nnc1-c1ccc(Cl)cc1 639427356 KYHBYUWJSCCPMR-OAQYLSRUSA-N 484.025 5.498 30 20 JKED O=C(Nc1cc(Cl)ccc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 641853862 DYVBYSYMUFACDR-UHFFFAOYSA-N 451.729 5.955 30 20 JKED C=CCN(C(=O)c1nc2nc(C)cc(C)n2n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891425 CTMNGIMBGACPEY-UHFFFAOYSA-N 466.570 5.364 30 20 JKED C=CCn1c(SCc2c(Cl)ccc3cccnc23)nnc1[C@H]1COc2ccccc2O1 643092421 KZXRJHPCNKCJHQ-HXUWFJFHSA-N 450.951 5.471 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cnn(CC)c3)N(CCC3=CCCCC3)C2=O)cc1 726119236 UUYHLOSPVMVITP-HSZRJFAPSA-N 495.649 5.153 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CC[C@H](C)OC)C2=O)c1 726392556 HRLWVIGTMPEFHV-MHECFPHRSA-N 491.613 5.234 30 20 JKED Cc1nc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)nc2ccccc12 726403069 YIFACEJEDBJRJE-QHCPKHFHSA-N 499.571 5.238 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C#N)c(Cl)c1 726408960 JZPBPUVIMMDXLA-GMAHTHKFSA-N 481.021 5.209 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)cc1F 726410263 GUNWHRFYEBRZLT-IBGZPJMESA-N 497.514 5.469 30 20 JKED Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 726938712 UDYCBXJWNFBOCS-UHFFFAOYSA-N 462.509 5.867 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 726938754 UTRNTOINRZEOLW-UHFFFAOYSA-N 482.927 6.212 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cc(C)ccc2F)c1C 727251802 HHDVOLYCEDIXKE-QHCPKHFHSA-N 493.608 5.128 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 727337211 LWYYYGUGGRYBCI-UHFFFAOYSA-N 457.555 5.103 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc([N+](=O)[O-])c2C)cs1 727973493 NWLDIBNBNLNIED-UHFFFAOYSA-N 463.441 5.509 30 20 JKED COc1ccc(CCNC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 727977929 CIUZXJPPNVUKCF-UHFFFAOYSA-N 451.979 5.328 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 728029044 VQNHDRDXVNXEOO-UHFFFAOYSA-N 463.578 5.421 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 728776251 AREPDKRQDXFDKV-IBGZPJMESA-N 476.936 5.272 30 20 JKED CCOc1ccccc1Nc1nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c(=S)s1 729472429 MUTQLLINFCWILF-UHFFFAOYSA-N 467.620 5.189 30 20 JKED CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729552784 KWTCSZFUWQJRKZ-UPVQGACJSA-N 483.490 5.264 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)CSCc2ccc(C#N)cc2)c(C(F)(F)F)c1 729655410 ROAZZDSHRRFCDL-UHFFFAOYSA-N 465.497 5.796 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2c(C)noc2C)cc1 730445007 RYYXPWFWSMAXQN-QFIPXVFZSA-N 498.555 5.081 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730461065 KWMOJOJEIFUCAE-SFHVURJKSA-N 483.462 5.496 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 730713883 BQCULQSKDDKZQF-XLIONFOSSA-N 479.631 5.185 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\Cc3ccc(C)cc3C2=O)cc1OC 730948570 HYZUNLZNWLEOKS-YBFXNURJSA-N 477.944 5.506 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731306574 WDVDWYBYEQYVJE-VFNWGFHPSA-N 480.977 5.162 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2ccccn2)cc1 731309029 RVHIIQDQMOTKFX-XMMPIXPASA-N 488.613 5.114 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 743873781 AGEXHMFSCPAEGK-UHFFFAOYSA-N 467.576 5.301 30 20 JKED N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1 745639133 JABTZFIKRODUTE-UHFFFAOYSA-N 459.478 5.103 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 746698182 WRMFJFLEOAKPEZ-FQEVSTJZSA-N 477.989 5.256 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(OCc3cccc(F)c3)cc2)ccc1S(=O)(=O)C(F)F 747066747 NYCUMRZZJPYFOR-XFFZJAGNSA-N 476.472 5.306 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3cscn3)C2=O)cc1 747602251 JZQAAOSOHFTFKD-QHCPKHFHSA-N 486.622 5.765 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 749314609 BOGSPSNCVLNGNO-UHFFFAOYSA-N 495.626 5.595 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 751389591 UHJYJOOUCGTTFX-UHFFFAOYSA-N 472.588 6.014 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(CC(F)(F)F)C2=O)cc1 799215240 SIOIKJXTSGAJLX-LJQANCHMSA-N 479.524 5.225 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CC(F)(F)F)C1=O)Nc1ccccc1 799221721 RHQDJDAOGKTMKR-HNNXBMFYSA-N 476.307 5.516 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C(F)(F)c2c(F)cccc2F)CC1 857442428 FNMFUHXKKBWUJQ-UHFFFAOYSA-N 462.409 5.198 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)NC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 913099629 RICLIVWWSMGQGU-FQEVSTJZSA-N 498.391 5.472 30 20 JKED C=CCn1c(SC[C@@H](O)c2cccc(Br)c2)nnc1-c1ccc(Cl)cc1 913113479 HLODKFAPMJEMKY-QGZVFWFLSA-N 450.789 5.373 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)cc1 915087628 VYWWGKLAJGAJDL-NDEPHWFRSA-N 495.604 5.728 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)n2)cc1 915100394 PUHDVEYYQICWOZ-ICSRJNTNSA-N 495.551 5.449 30 20 JKED CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102931 LJAQEUZHTHEXQI-GCEHHRJPSA-N 486.641 5.016 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915107177 NHYZNKUWDXHOKM-CQSZACIVSA-N 474.298 5.782 30 20 JKED N#Cc1ccc(CN(Cn2nc(-c3cccs3)c3ccccc3c2=O)CC(F)(F)F)cc1 915670325 LYZQRPZFSDKVCZ-UHFFFAOYSA-N 454.477 5.019 30 20 JKED Cc1cccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2[C@H]2CCCC[C@@H]2C)c1 915795718 IASWUCXTAYLAPO-URXFXBBRSA-N 460.651 5.909 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(SC(F)F)cc1 916215902 ZBWHHSUAWDDXLA-QGZVFWFLSA-N 465.522 5.287 30 20 JKED CCOc1cc(C=Nn2cnc3ccccc3c2=O)ccc1OCc1c(F)cccc1Cl 916369790 OOZQBTCILUXIFH-UHFFFAOYSA-N 451.885 5.049 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1ccc2ccccc2n1 916849278 OAEJDFCGFLJUKA-OFVILXPXSA-N 457.327 5.994 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 916911715 WNIGLOSQPLQNIU-SFHVURJKSA-N 470.754 5.471 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2)n1 916940175 SKQZNWVEDNAKNS-MRXNPFEDSA-N 459.955 5.498 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=S)Nc2ccc(Cl)cc2Cl)cs1 917534313 YQOVFZXRSUGOBC-UHFFFAOYSA-N 482.393 5.594 30 20 JKED Cc1nc(NN=C2CCC3(CC2)C(=O)Nc2ccccc23)c2cc(-c3ccccc3)sc2n1 917536053 PKCRVHGZHSGZJG-UHFFFAOYSA-N 453.571 5.899 30 20 JKED COc1cc(/C=C2\CCc3oc(C(=O)O)c(C)c3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 920066338 YDURVJVJZCCEKU-LFIBNONCSA-N 495.915 5.178 30 20 JKED Cc1nc2ccc(F)cn2c1C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785797268 APNWWBLILQBETJ-UHFFFAOYSA-N 495.558 5.034 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cn(C(C)C)cc4C(F)(F)F)CCC3)cc2)C1 1785806640 IHOBTHKVRLIQEL-UHFFFAOYSA-N 459.512 5.802 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@@](C)(OC)c3cccc4ccccc34)cc2)CCC1 1785815286 ZXFKPDBSNVPOHI-NDEPHWFRSA-N 454.570 5.249 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(OC)cc4C#N)CCC3)cc2)cc1 1786037924 URPDOLSHKYVFPA-FQEVSTJZSA-N 497.595 5.056 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1ccc(C2(NC(=O)c3cncc4cnccc34)CCC2)cc1 1786041944 URYGYQVXIHMQMK-UHFFFAOYSA-N 480.955 5.083 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCCCCC(=O)OC(C)(C)C)CCC2)cc1 1786374090 CISGWXXJYBXPRB-NRFANRHFSA-N 486.653 5.394 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)cc2)CCC1 1786714306 ZMAVGQKGJNPFHT-QFIPXVFZSA-N 469.626 5.008 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)cnc1C 1787009669 IZJGPPZLKBNPTI-UHFFFAOYSA-N 492.501 5.650 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)c[nH]1 1787041861 GJGYWEJFMLTIGN-UHFFFAOYSA-N 480.572 5.122 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(OC)cc4[nH]3)cc2)CCC1)C(F)(F)F 1788974958 IXKCVGPBSYJAAQ-UHFFFAOYSA-N 457.452 5.043 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1 1789358175 XKNQJWSGJBGAJV-UHFFFAOYSA-N 472.665 5.362 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCNc4ccc(C)cc4C)cc3)CCC2)c1 1789566020 CCTSUVVSVYTSEN-UHFFFAOYSA-N 496.611 5.434 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)nn4C)cc3)CCC2)c1 1789825961 YUXOJCPKEIHHSS-MRXNPFEDSA-N 495.505 5.127 30 20 JKED Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1 1789841666 JIEZHNCHOBBZHS-UHFFFAOYSA-N 498.974 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ncccc4C(F)(F)F)cc3)CCC2)c1 1789855592 FGKKAVLEIKANIZ-QGZVFWFLSA-N 492.501 5.789 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)cc3-n3nccn3)cc2)CCC1 1790097774 PLXIGZNWZUZAGP-QHCPKHFHSA-N 469.589 5.092 30 20 JKED CC(C)n1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)n1 1790167685 SZTIWOYUZXYAGQ-LJQANCHMSA-N 455.562 5.153 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)c(Cl)c1 1790767656 FOYCFGFDJAZXCY-UHFFFAOYSA-N 480.955 5.821 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4onc5ccccc45)cc3)CCC2)cc1C#N 1790909361 UNVOZHHJQHEGDR-UHFFFAOYSA-N 494.551 5.548 30 20 JKED Cc1nccn1CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1791830940 WWIFUIXIKPMJJF-UHFFFAOYSA-N 499.615 5.079 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)ccc1F 1792123256 QBCXRVDBDIXVFS-KRWDZBQOSA-N 456.521 5.218 30 20 JKED CCN(CC)C[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792127148 RCHPUUNCGVFVTE-LEWJYISDSA-N 460.622 5.039 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCc2ccc(C(F)(F)F)cc2)c1 1793517366 QNSHTWKWHMJINA-BKFWDETESA-N 483.534 5.160 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1796964191 HOKGWHLFGPMQCG-NUNAXRQHSA-N 497.111 5.903 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccc(Cl)cc4[nH]3)[C@H]2c2cccnc2)c1 1802378655 MAARBZRXDOOJSC-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1802495398 LATRCBHTYFRBLT-XMSQKQJNSA-N 474.432 5.700 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)[C@H]1c1cccnc1 1802498628 CIQROSXCTGFCHE-QKDODKLFSA-N 490.692 5.163 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC2(CCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)CC1 1804775223 WSUFFFROOFAERU-AREMUKBSSA-N 490.594 5.367 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4sc5ccccc5c4Cl)CC3)C2)cc1 1804943254 HSVFMSRHFMIFQL-UHFFFAOYSA-N 492.044 5.514 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@H]1c1cccnc1 1808577851 LPYMUAXKANHAON-YLJYHZDGSA-N 498.496 5.014 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3c[nH]c4cc(Cl)ccc34)[C@H]2c2cccnc2)c1 1809193988 GAGQNIFYTPORHI-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)cc4)C3)CC2)c1 1809266458 INYJJWJCIHNARG-HXUWFJFHSA-N 464.009 5.055 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC#N)cc3)CC2)C1 1810351981 UHZVYUVZXYTQNY-UHFFFAOYSA-N 492.623 5.282 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(OC)cc3)C2)CC1 1810404357 HSURQEWFQCOYRJ-UHFFFAOYSA-N 487.644 5.370 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1810501577 JWBWQVGHKUJAFP-XALOKNAFSA-N 484.644 5.583 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810531470 LQUISZAOADVKTE-NOZRDPDXSA-N 479.690 5.489 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1810659053 GHCQSMPPGKQBGO-DENIHFKCSA-N 457.977 5.186 30 20 JKED CC1(C)CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#Cc4ccccc4)cc3)[C@H]2c2cccnc2)C1 1811251395 JUPRDWOYDAGLLY-LMSSTIIKSA-N 491.635 5.237 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812303337 XZIYGXOPEDCICC-ZBLYBZFDSA-N 465.553 5.104 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)[C@@H]1c1cccnc1 1813058782 SIAJBXSPHQOZRK-AYWVHJORSA-N 491.591 5.923 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)[nH]c12 1814380600 RJWAEVGOLSSMCZ-XMMPIXPASA-N 480.572 5.010 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814739332 ZBWQDRAZAFQFKT-DEOSSOPVSA-N 487.629 5.007 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)[nH]n1 1814828795 JCFNMUFJWDIVQJ-LJQANCHMSA-N 465.579 5.201 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCCCc2ccccc2)[nH]n1 1817124982 XNUUDKHQHLSOGT-XMMPIXPASA-N 463.626 5.679 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3nn2)n[nH]1 1817934362 PDXRTOLATOWRFG-NRFANRHFSA-N 481.000 5.305 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(Br)nc2C)n[nH]1 1818416060 WSTPQBKWGGHNRL-HNNXBMFYSA-N 494.459 5.235 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593522 VJYWCCCARGIAGO-NRFANRHFSA-N 451.958 5.044 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)n[nH]1)c1cccs1 1818930330 IGQMOHNAXNIOLV-WEXDQQLBSA-N 494.661 5.509 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)[nH]n1)c1ccccc1 1819519730 YUPVBANIFLWKDS-KNQAVFIVSA-N 497.521 5.260 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccccc3)[nH]n2)c1Cl 1820221559 XFPCQQOROVGXSE-URVUXULASA-N 473.964 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)C)nn2CC)n[nH]1 1820351350 DWJCGXVTFYWQRF-HXUWFJFHSA-N 454.619 5.048 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)c(C#N)c2)n[nH]1)c1ccc(Cl)cc1 1820910600 MYBQOUAXIZCURI-HJPURHCSSA-N 493.970 5.112 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC3CCC(C)(C)CC3)n[nH]2)c1 1820979495 NOKLQVIXSVMSJY-DVECYGJZSA-N 475.637 5.949 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)[nH]n1 1821984428 WJSYKOAIJRGQQV-KDOFPFPSSA-N 450.917 5.070 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)[nH]n2)cc1C#N 1823291263 NNQSXXILJMYEAV-GOSISDBHSA-N 498.008 5.403 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)C1 1823702350 LHWXXQLAAYFQMK-LJQANCHMSA-N 486.937 5.697 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1823751232 MVFBCJRBSLMIFW-JOCHJYFZSA-N 491.717 5.292 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1823811181 CUQFONZZIMTKQN-LJAQVGFWSA-N 492.623 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)CC1 1823986191 QSJAEJPQPKJUDU-RDPSFJRHSA-N 461.021 5.410 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1 1824140286 ZQQKOEQSGJYAKH-HHHXNRCGSA-N 459.634 5.165 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824273080 SRPZULAFIVVREW-VWLOTQADSA-N 481.040 5.023 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C)n2)CC1)c1ccccc1 1825037920 QINALYXCLGLQFB-WDYNHAJCSA-N 485.672 5.140 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1 1826680532 FXXNCHOYHMDEQE-NRFANRHFSA-N 465.981 5.137 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1827494972 DPFDAZQRTIICHX-UGKGYDQZSA-N 469.029 5.170 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c(F)c1F 1827684516 DXAWJNAKCOBNQI-XTXLJPNXSA-N 486.584 5.007 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)s1 1827684622 KTANCZLOAXTXAZ-RXGWLMQDSA-N 482.671 5.190 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(c3)CCCC4=O)CC2)c1 1828246188 SKCSMDSCRGXQLR-LYZGTLIUSA-N 497.639 5.380 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1828350733 MQIOYNLHGSVFPJ-QSRYBZNWSA-N 481.596 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2OC(F)F)CC1 1828829705 MIPRPVCYMQQEKB-IFMALSPDSA-N 460.565 5.290 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1829068157 IBWXJTYNYXBIDN-XMMPIXPASA-N 469.626 5.140 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829451028 JKMZPYJMISOOBS-DOTOQJQBSA-N 463.496 5.243 30 20 JKED C[C@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CC=CCC1 1830687254 SAAGZFHHTFHKPV-BVAGGSTKSA-N 498.465 5.300 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c(Cl)c1 1830722742 PKKIBGJDNOEYDU-QHCPKHFHSA-N 488.390 5.551 30 20 JKED Cc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830755367 DEODHLQEHOMXNM-VWLOTQADSA-N 497.561 5.362 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1)C(F)(F)F 1831451157 NPIPDLLTBHDHSD-IBGZPJMESA-N 489.563 5.506 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1)c1ccc(O)cc1 1831924922 ZPSQHBPLORWMMK-LBNVMWSVSA-N 497.639 5.304 30 20 JKED COc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832634149 IIZFWZPWWKCXBW-SKCUWOTOSA-N 487.644 5.188 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ncc[nH]4)cc3)CC2)c1 1832680223 HSDYJMLGSTWUPX-KDYSTLNUSA-N 495.627 5.251 30 20 JKED Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832704151 HJWRBMHWLVUWLN-AREMUKBSSA-N 491.607 5.340 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CCSCc3ccc(C)cc3)CC2)CC1 1838374887 MOPUNAFNBCJVNQ-HHHXNRCGSA-N 498.733 5.385 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2c(-c4ccccc4)cn4ccccc24)C3)c1Cl 1844735661 QRLKLBRBCMGQFY-UHFFFAOYSA-N 494.982 5.262 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCCCCC(C)(C)C)C1 1846087030 LSPHFWCBDSFXAR-NRFANRHFSA-N 477.690 5.046 30 20 JKED O=C(CCc1cnc2ccccc2c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C#Cc2ccccc2)cc1 1847467391 IZAZJYIQLIDJAF-CONSDPRKSA-N 499.614 5.083 30 20 JKED COc1ccc(-n2c(SCC(=O)NCCC#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl 8761249 XKCNOHYBHNNVRF-UHFFFAOYSA-N 484.025 5.016 30 20 JKED CCn1c(SCC(=O)N[C@@](C)(C#N)C2CC2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 9840776 IWUOWMPVHAABAL-MHZLTWQESA-N 482.613 5.081 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1cccc(O)c1)c1ccc(Br)cc1 10825538 JFTYMOPTHJNWOF-UHFFFAOYSA-O 462.776 5.147 30 20 JKED COc1cc(OC)cc(-c2nnc(S[C@@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)c1 11236108 OOOMIRYBZRNUHR-WXUSHSQQSA-N 465.575 5.115 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nnc1-c1cccnc1 18405738 VDXBAIZKXBDIKI-UHFFFAOYSA-N 492.029 6.101 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)c1 21644707 CKGRBPGTELVBTM-OAQYLSRUSA-N 485.613 5.631 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(N(C)C)cc2)cc1 22728241 QAYRJPSYPRVUMB-UHFFFAOYSA-O 469.030 5.452 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 22730701 OIWVGHBXNCXBLF-UHFFFAOYSA-O 479.669 6.219 30 20 JKED Cc1sc2nc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)n(C3CCCC3)c(=O)c2c1C 24018749 IRCKFBMVQRECCV-KRWDZBQOSA-N 498.649 5.757 30 20 JKED COc1ccc(OCc2nnc(S[C@H](C#N)Cc3ccc(C)cc3)n2-c2ccccc2F)cc1 24706539 MQNXREVPIFRBQE-QFIPXVFZSA-N 474.561 5.529 30 20 JKED COc1cc(C#N)cc(Cl)c1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 25217238 RAHWWBBYUBRNQF-LJQANCHMSA-N 470.312 5.223 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 26063421 QEEDSDIXPXGASA-UHFFFAOYSA-N 485.487 5.118 30 20 JKED CCc1ccc(NC(=O)c2nnc(CSc3nc(C)cc(C(F)(F)F)c3C#N)s2)cc1 32327799 PDBAFWWTQQLKMC-UHFFFAOYSA-N 463.510 5.239 30 20 JKED Cc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1/C=N/N(c1ccccc1)c1ccccc1 34113999 YHSHLDSZGSBCPB-KVQDIILNSA-N 481.643 8.374 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)o1 68715467 ZDXQYRUIPWRPTH-UHFFFAOYSA-N 477.973 6.013 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1 107877454 DJSSSEVJIYWMGZ-HSZRJFAPSA-N 486.959 6.015 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Sc3nncs3)cc2)cc1 195682795 GCVUAINXNFOTEZ-UHFFFAOYSA-N 460.609 6.106 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 247655551 PDKKUCQHGUFJEF-UHFFFAOYSA-N 465.991 5.311 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N3N=C(c4ccco4)C[C@H]3c3ccco3)c2)c1 302933229 DYHLMZJPIGVNHJ-DEOSSOPVSA-N 466.497 5.113 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 302933444 HPZSNALSLKFOEX-FQEVSTJZSA-N 499.914 5.010 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(NC(=O)c3ccco3)cc2)cc1OC 303003064 YSYQGIGFWDJHRN-UHFFFAOYSA-N 471.351 5.158 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)c2c1C 303301038 CSJGBVYSMYRDSP-HNNXBMFYSA-N 465.648 5.558 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 303374205 KXAYQMGITHTUJT-CVDCTZTESA-N 476.671 5.921 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481080038 QADHMDJUTHJNCA-INIZCTEOSA-N 488.544 5.044 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(Cl)c(Cl)c1 486894255 MFQVXMJHMWZKJS-QGZVFWFLSA-N 488.293 5.402 30 20 JKED CCN(C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1)[C@@H](C)c1ccc(C#N)cc1 486987788 YBSAFGNBIOIKTI-INIZCTEOSA-N 451.368 5.347 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(CCC#N)Cc3cccnc3)cc12 490186376 BOCDYGQFLALMMW-UHFFFAOYSA-N 484.412 5.712 30 20 JKED CC(=O)N[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)c1ccc(Cl)cc1 501161123 MVNQEMHFTWQNAN-DEOSSOPVSA-N 463.940 5.460 30 20 JKED CCOc1ccccc1C(=O)NCCCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 501165514 VQZTUKXHNZXLBG-UHFFFAOYSA-N 473.548 5.148 30 20 JKED CCc1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1c(Cl)cccc1Cl 501308650 ITCWPOROEHRWNB-LLVKDONJSA-N 475.286 5.371 30 20 JKED C=CCN(Cc1nnc(-c2ccc(Br)o2)o1)Cc1cc(Br)ccc1F 502177551 XRNDRWJGGMORNL-UHFFFAOYSA-N 471.124 5.182 30 20 JKED C=CCN(C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)c1nc2c(s1)CCCC2 504410054 BYSQDUDDODOZBE-UHFFFAOYSA-N 454.514 5.123 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 506679408 CXXWXTDBJQXWBS-IBGZPJMESA-N 482.367 5.544 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 509990734 CYBAJUHFQIVQOL-HXUWFJFHSA-N 475.614 6.067 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 510223189 OSQAJKQEKYQPHV-UHFFFAOYSA-N 465.351 5.036 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCOc4c(-c5ccccc5)cccc43)CC2)c1 511016713 VUYWZVVOLQPJKQ-AREMUKBSSA-N 453.542 5.302 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 511319727 FGJYIJUMPKGESI-UHFFFAOYSA-N 460.965 5.339 30 20 JKED Cc1cc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1Oc1cccnc1 512129221 JNXFRUOYFBFECD-UHFFFAOYSA-N 469.501 5.157 30 20 JKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 517892376 WCHLZTCOLMFUPQ-IBGZPJMESA-N 455.499 5.215 30 20 JKED C=CCN(C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 518174708 OLJYTTQDVMXBHW-UHFFFAOYSA-N 489.532 5.365 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OCC)c1OCC 518516516 IEZVQXIQAXNBFW-IBGZPJMESA-N 461.543 5.368 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1Cl 520045515 MLMRRXFKYGPHBH-QHCPKHFHSA-N 464.997 5.252 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 520187219 GOTZHSKCLFUEAR-INIZCTEOSA-N 494.414 6.348 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 520198075 ZZAWIXQFTBPGHU-PZJWPPBQSA-N 467.635 6.117 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 520827573 NNJMZHCMVHRTIG-LJQANCHMSA-N 493.592 6.244 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 521811617 NSORJHWVTAFOTD-CVEARBPZSA-N 467.513 5.003 30 20 JKED CSc1nc(O)c(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)cc1C#N 523611803 WVNKHRVCPACVML-UHFFFAOYSA-N 490.532 5.577 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1 523972947 CCKGBXNOLUAPMD-AREMUKBSSA-N 489.531 5.596 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2cccc(F)c2)CCCCC1 524674905 IJDBAKLJUUMKFI-SFHVURJKSA-N 453.583 5.034 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 553337302 FGYMHSXSZFVTBR-CQSZACIVSA-N 464.418 5.420 30 20 JKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589678680 BVVSKJZWDFXUQO-ZIAGYGMSSA-N 476.383 5.946 30 20 JKED COCCN(C(=O)Nc1ccc(F)cc1C(F)(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 590335137 PAOYRVBMHZEZDG-LBPRGKRZSA-N 452.370 6.105 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 602227145 GTLUQTFCPDBMFN-UHFFFAOYSA-N 498.633 5.897 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 603591979 WUXROXGAKKKHSH-XMMPIXPASA-N 493.032 5.248 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)s2)cc1 603738951 MAPNFMHBABWGJI-UHFFFAOYSA-N 470.554 6.137 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3nn(-c4ccccc4F)c4c3CCC4)c2)cc1 603921353 SYFYVSIEAYAXQL-UHFFFAOYSA-N 466.516 5.397 30 20 JKED CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c12 603995939 RXSLZBPOPYESMI-UHFFFAOYSA-N 465.513 5.600 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995970 VSGNGVDEWBOXCL-UHFFFAOYSA-N 469.526 5.143 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c(C(F)(F)F)c1 604023228 WQUFIXFAXJOIPJ-UHFFFAOYSA-N 485.940 5.408 30 20 JKED C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 604045908 JUJBJLFAWPHDLQ-AWEZNQCLSA-N 483.531 5.745 30 20 JKED CCCCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604160457 KTYOMZRTRXWXKW-UHFFFAOYSA-N 476.964 5.556 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 604288765 PQQAJINFFKQQQF-QZTJIDSGSA-N 485.428 5.926 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2Cl)cc1 604338870 GWYSOSRQUNUMMI-UHFFFAOYSA-N 487.364 5.602 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609079045 YJWMLAKURCGSCX-LJQANCHMSA-N 459.546 5.736 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)Nc4ccc(OCc5cccc(C#N)c5)cc4C)CC3)c[nH]c2c1 609079237 QCWDQEUOHQFYNQ-UHFFFAOYSA-N 476.580 6.557 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)c1 609212736 SRKZCZZRELFZLU-SANMLTNESA-N 464.569 5.424 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N2CCCCC2)cc1 609438525 JCKBEIVERKZMOS-WMZHIEFXSA-N 452.624 5.438 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 613319171 TUWMYTFVOYSQOQ-GOSISDBHSA-N 463.971 6.267 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1 618608683 HJECJLAAMQWGCK-HSZRJFAPSA-N 474.520 5.595 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)n2)cc1 619756523 SAUPIASTFLDQBO-HSZRJFAPSA-N 469.953 6.404 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642677862 BMXOOURTBFQTKQ-HTQZYQBOSA-N 486.306 5.920 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccccc2F)nc2scc(-c3cccs3)c2c1=O 644257971 JOCWCGKVJGDGLF-UHFFFAOYSA-N 471.604 5.633 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 684255253 PXGJPLMZHOXCPY-DEOSSOPVSA-N 479.625 5.104 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2ccnc(Cl)c2)c1 726198195 HOAXOXCFXLWXAM-UHFFFAOYSA-N 477.369 5.127 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccsc2)c1 726411743 OFYSXDSBTORALW-OAQYLSRUSA-N 481.549 5.168 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 726421367 QBCZMLZKBUHOOL-URSBWBDFSA-N 482.606 5.433 30 20 JKED CCOc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 726570992 PROSZRVFAFHZMT-UHFFFAOYSA-O 491.036 6.100 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 726573577 KUTFQILGNYFSKK-UHFFFAOYSA-O 488.057 6.584 30 20 JKED Cc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C)n1-c1nccs1 726627467 QMYWGXHDWHQBSV-IUXPMGMMSA-N 457.005 5.482 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccc(C)c(C)c2)n1 728420211 ARLOVYDFYXDEBB-XMMPIXPASA-N 483.597 5.039 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 728738406 LOLYGKJRUHAUEE-QHCPKHFHSA-N 492.620 5.557 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729143959 SYVPQIOZZRWEBQ-CTNGQTDRSA-N 459.974 5.088 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ncccc3C)C2=O)c1 729634113 IBKULJDBABLMDY-QHCPKHFHSA-N 493.032 5.821 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OCC)cc2)N(C2CCC2)C1=O 730461887 TZWUTUYHOFQQQZ-QHCPKHFHSA-N 481.618 5.387 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1F 730533648 AXQKSOPEXOHGCW-GOSISDBHSA-N 465.472 5.276 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2cc(C)cc(C)c2)cc1OCc1ccccc1 730564759 GDQABWVSUWFTDO-UHFFFAOYSA-N 474.586 5.232 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](c2ccccc2)C2CCC2)C1=O)Nc1cnccn1 730716908 BQQRKXFFESOQET-QPPBQGQZSA-N 489.576 5.117 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cccs2)C1=O)Nc1cnccn1 730720219 HZEDJWYQMLKUFZ-MRXNPFEDSA-N 492.413 5.005 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 730944792 ZZNGQBKNUABSQZ-YCRPNKLZSA-N 482.968 5.596 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1 730952736 UFWVMGUTNJNGEI-LBPRGKRZSA-N 467.563 6.298 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c(C)c1 731309005 RUNNAHUQPMQDJA-MBSDFSHPSA-N 477.586 5.194 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccn2)c(Cl)c1 745989072 JFOLPQQCTGQCES-NRFANRHFSA-N 496.995 5.651 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 746118680 YRBZIEJOHFSQDS-UHFFFAOYSA-N 453.361 5.896 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCc3nccs3)C2=O)cc1 747603713 WIFKBJMEBAOBAA-OAQYLSRUSA-N 494.642 5.053 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 747803619 KJOVRPRVRDNIOB-XUZZJYLKSA-N 464.635 5.333 30 20 JKED C[C@H](Sc1nnc(CSc2nc3ccccc3s2)n1C)C(=O)N(CCC#N)c1ccccc1 752608140 DLMPLNJCSOETGN-INIZCTEOSA-N 494.671 5.145 30 20 JKED N#CCCN(CCC#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2 756408058 DINOXABYIXFCSV-LVZFUZTISA-N 498.970 5.188 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(NC(C)=O)c(C)c2)c1 892724337 SAVWJPNFUHEDHH-UHFFFAOYSA-N 498.004 5.240 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(NC(C)=O)c1 913119264 KDWDWRQOBIIJME-DEOSSOPVSA-N 488.613 5.559 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 914623913 NVUDWWLPDJJOPN-GOSISDBHSA-N 488.975 5.564 30 20 JKED C=CCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1cc(Cl)ccc1Cl 914867412 DPKKSDXKYRNWGP-UHFFFAOYSA-N 461.176 5.365 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 915055799 URRPLBXYJSLMLT-UHFFFAOYSA-N 487.515 6.388 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 915086090 RFOCXSKUMIQADH-NRFANRHFSA-N 464.422 5.938 30 20 JKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1sccc1Br 915113635 RNRUGUGARCQDDI-CMDGGOBGSA-N 450.361 5.714 30 20 JKED CCN(CC)[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(OC)c1 915352985 KTKQYHNUWQVVDD-SXOMAYOGSA-N 456.590 5.555 30 20 JKED CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)CC2 915987823 LGSBMKFGPLFQIC-NTEUORMPSA-N 486.496 5.397 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(C)c2)C=C1 916202992 JPXHYUKAIOLALH-UHFFFAOYSA-O 495.624 6.534 30 20 JKED CCOc1c(Cl)cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1OC 916278824 XHFHPUMWAKZAPI-UHFFFAOYSA-N 452.967 5.254 30 20 JKED Cc1ccc(C(C)C)c(Oc2ccc(C=Nn3c(C)nc4ccccc4c3=O)cc2[N+](=O)[O-])c1 916292788 MEGDJJWCNKSLAX-UHFFFAOYSA-N 456.502 5.719 30 20 JKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2-c2ccccc2Br)cc1OC 916542464 NDUJSCHPNMPCSL-UHFFFAOYSA-N 481.803 5.329 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc1 916710581 LQMYKTJREDZCMV-JIQALNGASA-N 497.020 5.064 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)s2)cc1 916833927 ABZGRMYOMBYHAU-QFIPXVFZSA-N 498.589 5.409 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916916994 DIQWENBLSFKHNR-NRFANRHFSA-N 491.378 5.839 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 916956020 WVDPJVFDVIOGOA-LIRRHRJNSA-N 468.966 5.343 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1 916974145 FCDINIFDABKYEN-LJQANCHMSA-N 483.540 6.680 30 20 JKED Cc1cc(C=Nn2c(SCC(=O)O)nnc2-c2ccoc2C)c2c(C)ccc(C(C)C)cc1-2 917032577 LDVUQPHJOVNEMJ-UHFFFAOYSA-N 462.575 5.750 30 20 JKED C=CCN(Cc1ccccc1F)Cn1nc(-c2ccc(OC)cc2)n(C[C@@H]2CCCO2)c1=S 918182076 OZXMIBIULXBLDQ-QFIPXVFZSA-N 468.598 5.053 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(COc3ccc(F)cc3)n2)cc1 918630097 MZLZTHWFFBAXLJ-UHFFFAOYSA-N 475.520 5.715 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc1 918711794 AMBAVAHNYQEDKI-XFXZXTDPSA-N 455.967 5.802 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920110131 LPCBIBJVTOJWNJ-LPHOPBHVSA-N 490.437 5.588 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c(SC(F)F)nc4ccccc43)n2)cc1 920139699 YDTKSFRLKQPPOM-HNNXBMFYSA-N 470.526 5.360 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 920175978 OLBJFXKWSUONHL-MZNJEOGPSA-N 488.588 5.431 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 920357059 TTZWJNMSLOCZGY-GGBSJPMNSA-N 493.673 5.265 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 928675445 ZCRMXRMNTHRKCN-QGZVFWFLSA-N 479.558 5.230 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4occc4n3-c3ccccc3)CCC2)cc1 1786366540 BRFKOHYHKAFSPJ-UHFFFAOYSA-N 497.595 5.954 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)s3)CCC2)cc1 1786544084 CJROVOQDVBFMDD-SFHVURJKSA-N 487.597 5.104 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1786677986 CNWSMJYDFZWXRS-UHFFFAOYSA-N 486.597 5.490 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1 1787597347 HCUGQDGSONQAMS-UHFFFAOYSA-N 463.654 5.351 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CCC2)cc1 1787649887 YNKHIONZPYBHKZ-VWLOTQADSA-N 459.496 5.546 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)/C=N/O[C@@H]4CCCCO4)CCC3)cc2)oc2ccccc12 1788969436 WGQCCZNSCOFYHE-MRAZWZEMSA-N 475.545 5.018 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(C)oc4cc(O)ccc34)cc2)CCC1 1789020295 FQSRYPDSBYJFJT-UHFFFAOYSA-N 462.546 5.177 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4C=CS[C@@H]43)CCC2)cc1)c1ccccc1 1789600555 MWSAHSCDWCTEOW-LIONHTAISA-N 456.611 5.193 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4CC[C@H](C)CC4)CCC3)cc2)c(C#N)c1 1790475015 VFPGSRFDBUDTGT-MXVIHJGJSA-N 459.590 5.070 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)cc1 1790519416 VBYWWMVFIKZDDZ-UHFFFAOYSA-N 485.559 5.015 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1 1790650032 ZPMQGNFNBXQARA-UHFFFAOYSA-N 492.469 5.102 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)cc1 1790703135 ITIIVCXIKPGDST-UHFFFAOYSA-N 478.474 5.228 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5sc(N)nc5c4)CCC3)cc2)cc1 1790706090 BGMPWXMNAGKIQA-UHFFFAOYSA-N 481.581 5.006 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c(C)n1 1790767922 UJYKRJNDYYSPSJ-UHFFFAOYSA-N 487.003 5.604 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)CCC2)cc1 1791298559 AZJZVSTYCVRLQZ-LFYBBSHMSA-N 479.527 5.535 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@H]4C)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681578 YJZVBKMHCMAQDR-PTUXOGIPSA-N 481.637 5.122 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)cc4F)CCC3)cc2)CCC1 1792234065 GUJVQSAHSRZQNP-UHFFFAOYSA-N 459.443 5.286 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1797777115 WVIYWSVWXDTRSP-KEJFTWOCSA-N 471.117 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2c1 1798135996 INFIRFCLTCHANP-CIAFKFPVSA-N 481.434 5.623 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)[C@H]2c2cccnc2)C1 1802417721 KXBDEVUMWDJUIW-KKSFZXQISA-N 477.914 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1802495449 FFCJIYNOTITVSW-NFBKMPQASA-N 476.646 5.312 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)Cc2ccccc2)[C@@H]1c1cccnc1 1803018245 ACJFGZAFENINEE-UIOOFZCWSA-N 459.634 5.125 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ncccc3-c3ccccc3)CC2)C1 1804858555 IZEOYNCAFDVEDV-UHFFFAOYSA-N 459.634 5.586 30 20 JKED Cc1occc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)C1 1808312145 AWDUMBAVTGOYEL-UHFFFAOYSA-N 466.581 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5c(s4)CCC5)C3)CC2)c1 1808801463 BPHWOMKAKFGMFT-IBGZPJMESA-N 461.631 5.022 30 20 JKED Cc1cc(F)c(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1F 1810276058 CCJROPBOKSBCCQ-LVXARBLLSA-N 497.662 5.039 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1811207348 RIBCWPRMYBJHCA-XUZZJYLKSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1812114113 ZPTGOPNYHGZARS-LVXARBLLSA-N 489.019 5.371 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812514782 LCESZBUGGATHLY-MVNQZMKCSA-N 498.067 5.163 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c(Cl)c1 1813860256 CFIJCOQFDKVHML-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1814299442 CUUNEYGMGXVLIN-HVNZXBJASA-N 499.655 5.165 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)c1 1814569862 KORJNAGJVUYMPA-IBGZPJMESA-N 486.414 5.151 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)[nH]n1 1814824574 YPGGRUDDRDQWCV-RUZDIDTESA-N 471.605 5.351 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(Br)nc2C)n[nH]1 1818414770 ZLZILMASALISDX-HNNXBMFYSA-N 494.459 5.235 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1 1818441450 RAEBNQGLEVGGON-BXKMTCNYSA-N 485.613 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1819306955 JUOZEAAOVJADPY-RBBKRZOGSA-N 454.691 5.221 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2F)n[nH]1 1820187152 AZZBEQQSNVACCY-OXQOHEQNSA-N 476.499 5.225 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)cc2n1 1820219181 MWHIHSIMVVQWJE-LJQANCHMSA-N 488.935 5.004 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c1 1820428819 AEIVOUJSYWVHPB-OAQYLSRUSA-N 479.943 5.013 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)[nH]n2)cc1 1820548534 HMHIXEWPNOYBQJ-HXUWFJFHSA-N 485.441 5.059 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)[nH]n2)cc1 1821179738 AKHTYDCKTSATAC-QFIPXVFZSA-N 486.963 5.230 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)c(Cl)cc2F)n[nH]1 1821236518 GUIHHZIHZMMPBK-SFHVURJKSA-N 495.780 5.074 30 20 JKED CC1(C)CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)C1 1821311229 UYDAQCZTHGXLKL-LJQANCHMSA-N 473.499 5.042 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccsc4[nH]3)n[nH]2)c1 1821437582 KYDJIIVNQYBMHE-YCRPNKLZSA-N 472.574 5.199 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821522981 OEONELMXZWXJMR-VGSWGCGISA-N 487.560 5.048 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1821919674 AOLAKYLHRHJOOA-CVDCTZTESA-N 457.578 5.298 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)[nH]n1)C(F)(F)F 1821994524 MHFDGYNWTJJXJS-ICSRJNTNSA-N 466.479 5.099 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)[nH]n1 1822403588 JFDHUDLRYQNXKC-IBGZPJMESA-N 467.367 5.207 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1)c1ccc(O)cc1 1822467345 RFLZILQNAINZMX-NBGIEHNGSA-N 496.567 5.365 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1)c1ccc(O)cc1 1822468382 QAHJBCDZWHVPLQ-OFNKIYASSA-N 498.574 5.130 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1822582784 WWURZUDNSWPYBI-QFIPXVFZSA-N 450.583 5.087 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccsc3)[nH]n2)c1 1823213453 XREDPBRBZRWQQJ-VGSWGCGISA-N 461.591 5.037 30 20 JKED Cc1cc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)ccc2[nH]1 1824361372 ORJKXRIHMIQJFQ-YCRPNKLZSA-N 483.597 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1825468410 HUSKZVVQMWOYGX-IFMALSPDSA-N 493.570 5.024 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2CSc2ccccc2)CC1 1826321738 KQKLTLQLUJINQK-XMMPIXPASA-N 497.611 5.404 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3)CC2)c(Cl)c1 1826369316 KYERCEBFRWTUPX-VWLOTQADSA-N 464.009 5.078 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)c1 1827335620 RRNHIZFQMDKFGQ-FCFFNXBQSA-N 498.627 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(Cl)s2)CC3)c1 1827693551 JMWKDPGORTYMQM-DOMZBBRYSA-N 471.007 5.025 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1)c1cccs1 1828009849 HQZALTCTZUEAIH-AAJFVQQISA-N 486.637 5.574 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2c1 1828526580 BHPAQRAPDXWMOF-RXFWQSSRSA-N 499.611 5.616 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828708185 BRYTUVBGTVIQJC-HSZRJFAPSA-N 480.033 5.168 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnnc3ccccc23)CC1)c1ccccc1 1829031728 DNCPQGDFIXRNLO-VAVYLYDRSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ncccc23)CC1 1829070671 LPUPGWBEXANCIQ-XMMPIXPASA-N 464.654 5.108 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419407 NIVVHIIPDWCFID-DNQXCXABSA-N 477.674 5.812 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1830014849 KQNBAVBMACORON-HSZRJFAPSA-N 475.589 5.459 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1830345016 RUJAWTSIOYYONB-QHCPKHFHSA-N 462.675 5.112 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830407300 GTFARAVWNWVGHU-RCZVLFRGSA-N 496.758 5.243 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1 1830627299 AGUQUCSUHLZVNW-DEOSSOPVSA-N 467.972 5.092 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c(Cl)c1 1830633373 NBBTVSNYQDQDMS-RUZDIDTESA-N 464.009 5.262 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cccs3)CC2)c(Cl)c1 1830721405 JOGKPFQIZDLMQT-ISGGHPHESA-N 468.022 5.220 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830780752 BDJRRVWWEOJPIA-QHCPKHFHSA-N 481.464 5.518 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1830796213 VNJMOFBUJNBZNN-QFIPXVFZSA-N 466.544 5.217 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cccc(Br)c3n2)CC1 1830866259 AQLJRGLNENLGRL-QHCPKHFHSA-N 496.449 5.034 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c1 1830967762 LCLBNAJDAKBYDP-SANMLTNESA-N 486.641 5.034 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 1831369177 HDGUQEDXHBTANL-WMZHIEFXSA-N 499.055 5.155 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1831370219 HRFBLXQXEAJJKL-OXQOHEQNSA-N 460.043 5.395 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 1831374722 SULRJXACARAXLD-NVQXNPDNSA-N 451.655 5.122 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Br)c2CC)CC1 1831852627 WYBIXBFCZUTPLU-HSZRJFAPSA-N 473.455 5.048 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)ccc2Br)CC1 1831859731 WHOQWGPBXJVNOB-IBGZPJMESA-N 498.259 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccn4c3)CC2)c1 1832630501 JMEKTOWMZLFZIR-NTKDMRAZSA-N 474.630 5.175 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnn3-c3ccccc3)CC2)c1 1832632504 SCYKDEWDHVMSJF-AMGIVPHBSA-N 495.627 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)CC1 1836696480 WJQVVQFPSYFPQZ-UHFFFAOYSA-N 496.051 5.269 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2cc(F)ccc2C(F)(F)F)C1 1846890280 VPXDIIZPQGSPLM-UHFFFAOYSA-N 492.366 5.133 30 20 JKED O=C(O)c1ccccc1/N=C(\c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1857777146 VIQAJOVQSKBFHD-ZLDSNXLKSA-N 454.751 6.725 30 20 JKED CCOc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2ccc(Cl)cc2)cc1 10263660 MORDCHYTEPILLV-UHFFFAOYSA-N 496.017 5.650 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(CC(=O)Nc3cc(C)ccc3C)n2)c1C#N 10711711 GZXSLBCOZSULIU-UHFFFAOYSA-N 492.626 5.164 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)s1 10828681 XPPUMUUSLFIOCW-UHFFFAOYSA-O 482.025 6.470 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1ccc(Cl)cc1 10831927 QCSVZIJRXMSKAJ-UHFFFAOYSA-O 453.971 5.012 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 15247850 CZHTXHZUNMSZNS-UHFFFAOYSA-O 451.587 5.779 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1 20409500 GKVFMHQKMAWVKU-MRXNPFEDSA-N 456.999 5.153 30 20 JKED C[C@@H](Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)C(=O)N(CCC#N)c1ccccc1 22181126 JVWZDKYRHLRJOB-CQSZACIVSA-N 493.536 5.608 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)NCCc1ccc(OC)cc1 22802069 SBQUKGLTBOZTMB-UHFFFAOYSA-O 461.651 5.241 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 23404852 NLIQIIBMVXDDJH-MRXNPFEDSA-N 496.633 5.089 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc12 23518598 DWKSJXNLPWGWGV-RTBURBONSA-N 490.604 5.693 30 20 JKED O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 24506676 PBTTWDKAABQYEQ-HSZRJFAPSA-N 484.905 5.388 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1ccoc1C 25459947 YYNBOTZOPGFWRX-UHFFFAOYSA-N 456.571 5.588 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28649298 WSLSHJOVHCQLOZ-UHFFFAOYSA-O 491.633 5.708 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)c2)c1 32289302 XOSYTAWVWPPUGX-UHFFFAOYSA-N 471.520 5.637 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](C)Sc2ccccc21 33162980 ROROYMVGEUASNM-CQSZACIVSA-N 461.381 5.016 30 20 JKED CC(C)n1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cn1 97549774 KRNWEPCCDKETPS-OUKQBFOZSA-N 450.498 5.319 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCOc2cccc(Br)c2)cc1 303003147 VBJBDCAVXSNXBM-UHFFFAOYSA-N 467.388 5.422 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 303031968 UJYJMNOSNQDQIQ-HSZRJFAPSA-N 453.542 5.079 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C 303122112 AJQYAKJWCXSRAJ-UHFFFAOYSA-N 483.597 5.374 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H](C)c1cc2ccccc2o1 481317904 ZAKVPTCOUCUMOZ-LJQANCHMSA-N 499.542 5.961 30 20 JKED Cc1ccc(-c2csc(N(C(=O)CCc3c(C)nc(O)c(C#N)c3C)c3cc(C)ccc3C)n2)cc1 499142060 OSFFZAGHRVGLEZ-UHFFFAOYSA-N 496.636 6.622 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 501766760 OPHQSNSMPLODKF-UHFFFAOYSA-N 484.560 5.133 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCO)Cc3cc(Br)ccc3F)cc2)cc1 502605565 YPNOCIXFEYFBHJ-UHFFFAOYSA-N 484.325 5.279 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccco1 502713068 VBFNBDHAELUWQJ-KRWDZBQOSA-N 477.615 5.531 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c3cnn(C(C)C)c3n2)c(C)s1 504692167 MNQOEYOXJXILES-UHFFFAOYSA-N 482.660 5.990 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 505092926 BPPMQZSNDFVNOH-UHFFFAOYSA-N 485.613 5.687 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1 508279749 OJAWSXJUVSVNQL-UHFFFAOYSA-N 470.529 5.419 30 20 JKED CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)[C@@H](C)c1ccc(C#N)cc1 509615974 HBUNULNIZAYBER-KRWDZBQOSA-N 467.978 5.236 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510655985 CSFBAQCGKAYIAV-DEOSSOPVSA-N 457.530 5.572 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 510705512 VXPOSZWJSQKUTA-UHFFFAOYSA-N 474.948 5.384 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 511748438 NWDWUGUNVMKYKN-UHFFFAOYSA-N 457.505 5.145 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 511838329 NQWCJXNYXSDPPJ-DCFHFQCYSA-N 467.569 5.075 30 20 JKED N#CCc1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cc1 514227720 UMXTVAKZMZJCPK-QFIPXVFZSA-N 450.995 5.389 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccc(F)cc1 514985475 HGCLLIUXACGPHS-OAQYLSRUSA-N 452.555 5.228 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC(F)F 515887309 UWQCKRBNIPNFJD-QRWLVFNGSA-N 483.902 5.413 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)n2)cc1 516714078 OSGDBVHRGIMVBA-LJQANCHMSA-N 457.511 5.463 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 517081896 UCCHQTXFRJVJKF-NRFANRHFSA-N 491.616 6.594 30 20 JKED N#Cc1cc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)ccc1Cl 518110220 TVWXSDCFJMJIRM-UHFFFAOYSA-N 476.192 5.654 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 518660759 AAFUKVJWJLQNKI-QFBILLFUSA-N 466.657 5.851 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c1C 520928318 RTMWASFFPSBQGT-GOSISDBHSA-N 479.627 5.751 30 20 JKED N#CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1 521262067 FMYVCTHWOYZACO-UHFFFAOYSA-N 475.961 5.112 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N(Cc1ccccc1)c1ccccc1C#N 551889390 XRNVCFZYTFOTCS-UHFFFAOYSA-N 489.501 5.551 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@H]3CN(Cc5ccccc5)C[C@H]43)c2)cc1 594669682 WDZDMISEDGARFK-MBOHLOIDSA-N 463.581 5.333 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)o2)c1 597897501 OGONXIYKKHZFRR-INIZCTEOSA-N 472.517 5.382 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1 603744061 GRNMXBDLZFHBKX-UHFFFAOYSA-N 455.411 5.540 30 20 JKED N#Cc1c(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)sc2c1CCC2 603806746 FSFYIYZKAZIXAF-UHFFFAOYSA-N 466.360 5.376 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)s2)cc1 603941547 PYZXWANTIZFSBN-UHFFFAOYSA-N 486.582 5.598 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cs1 603947520 IUORNAWBMNRNKZ-UHFFFAOYSA-N 486.622 6.444 30 20 JKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccccc1Sc1ccccc1C#N 604000345 DDKMJXQUGKFJLC-UHFFFAOYSA-N 463.562 6.523 30 20 JKED COc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)cc1 604089835 NXEXUZNKFQLSCL-UHFFFAOYSA-N 477.948 6.088 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1Cl 604134767 ATYMAYREMXAYPR-UPVQGACJSA-N 478.379 5.855 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)c3cccs3)cn2)c1 604143268 PHNJPFVKXRAAOI-HSZRJFAPSA-N 488.956 5.305 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604156378 YTOVJHHRLZRYGF-OAQYLSRUSA-N 485.893 5.611 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCC3(c4ccc(Cl)cc4)CCOCC3)cn2)cc1 604362259 ZSQPSDFKQUTCRC-UHFFFAOYSA-N 462.937 5.269 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)cn2)c1 604566970 GSWKYQDEJNGCGL-UHFFFAOYSA-N 480.471 6.069 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)o2)cc1 609060175 VLMDKPGAEOVTRZ-UHFFFAOYSA-N 471.900 5.888 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 609060882 GQVBCAJQQWRFHJ-UHFFFAOYSA-N 476.458 5.903 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 609080077 PMYGKFIRSDSDDC-LEAFIULHSA-N 469.585 6.077 30 20 JKED CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609088661 BNOVNKLNYSVRRX-UHFFFAOYSA-N 461.949 5.169 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1 609103941 JUTYEFSEIIHOHS-UHFFFAOYSA-N 473.529 5.873 30 20 JKED N#CCn1c(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc2ccccc21 609167516 ALVTZYIPMHFJNF-HXUWFJFHSA-N 455.345 5.105 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378200 USZFRIRHURZCMF-LLVKDONJSA-N 473.860 5.679 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 609428206 DULPKPBHOOHSPA-FQEVSTJZSA-N 485.675 5.217 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 609434090 UFWHVIGHRBUTHJ-GOSISDBHSA-N 499.962 5.761 30 20 JKED COc1ccc([C@@H](C)NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1F 616019198 QHLSHGMPDWHELR-LLVKDONJSA-N 484.368 5.599 30 20 JKED C=CCOc1ccc(C(=O)Nc2cc(OCC)c(OCC)cc2Br)cc1OC 619215252 RRFFLUFAGVZICJ-UHFFFAOYSA-N 450.329 5.072 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccccc3)n2Cc2ccco2)cc1 619639432 HMQXVWKFSXDJGK-UHFFFAOYSA-N 499.640 5.923 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4cccc(Cl)c4c3Cl)n2)cc1 619756509 LJNPWSAQPJGNCL-CYBMUJFWSA-N 454.363 6.693 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Br 726073727 GOLYKKMBDONVNO-HXUWFJFHSA-N 450.336 5.435 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726405254 CYKQXIDZFBWVQG-KSFYIVLOSA-N 499.036 5.071 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C#N)c(Cl)c1 726407949 WFSFMOBGKIFHCE-IBGZPJMESA-N 489.384 5.020 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2sccc2C)c1 726414063 WZYIDZRLXDESHG-QFIPXVFZSA-N 489.622 5.207 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2Cl)n1 726657255 KQSGOVWJPXHTMW-INIZCTEOSA-N 480.929 5.463 30 20 JKED Cc1nc(/C=C/c2cnc(-c3ccccc3)nc2)sc1C(=O)/C=C/c1cnc(-c2ccccc2)nc1 726847738 GQLVZJDBCOJSJY-QUMQEAAQSA-N 487.588 6.432 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC)c(Cl)c1 726889200 DNIGYIAEADQLJN-FQEVSTJZSA-N 457.983 5.112 30 20 JKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 728108764 IYTJUQYILPRATR-HHHXNRCGSA-N 496.519 5.584 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC(c3ccc(F)c(F)c3)CC2)c1=S 729466644 WFBLOJMUNGSNMN-QHCPKHFHSA-N 484.572 5.228 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCC1)c1cccs1 730463281 WDNYYQXLJSOWQY-NETHECDYSA-N 482.458 5.997 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Oc3ccc(F)c(F)c3)c3ccccc3)n2)cc1 730692145 UQNPJSGHGUULEW-CJFMBICVSA-N 476.504 6.093 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730709979 GLEKZFIDCHLDGM-QFIPXVFZSA-N 490.972 5.642 30 20 JKED COCCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2cc(Cl)ccc21 730952923 ZXZGLCNHWGSAFV-HNNXBMFYSA-N 475.039 5.461 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1Cl 731106595 XYKDCKQKRVJWSK-RSXGOPAZSA-N 477.967 6.112 30 20 JKED COc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)ccc1C 731311117 WUTTTYKMFFPWOX-HSZRJFAPSA-N 493.560 5.009 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731313181 UISYTNLCJRDLFC-LJQANCHMSA-N 473.476 5.068 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1Cl 731332654 PGNIGQCWWCWOAK-OAHLLOKOSA-N 466.028 5.017 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 742745914 RZJSQWCQPYTGCD-QFIPXVFZSA-N 495.649 5.249 30 20 JKED COc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1OCCCC#N 747361337 KVTRMTBWVSSJLX-SFQUDFHCSA-N 489.384 5.872 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 749750913 HRACREKAGNSGGE-FXAWDEMLSA-N 473.627 6.008 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O 837301680 NHWUBEHCASWBIK-FQEVSTJZSA-N 469.563 5.056 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C3CC3)CC2)c(C)c1 837423532 HLDXIXHVZACIKV-DEOSSOPVSA-N 494.636 5.030 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 837707944 PPWRYUQVCYAAMT-VFNWGFHPSA-N 482.968 5.596 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3ccccn3)C2=O)c1 837738652 XKEWWAFRPCVCLK-MBSDFSHPSA-N 493.032 6.073 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@H](C)c2ccccn2)C1=O 837882071 ZUNGDTUOKMKMHE-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1Cc1ccco1 838533532 JUKJFALKXFKKRP-NRFANRHFSA-N 499.976 5.111 30 20 JKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 857494971 HJEOJIPQWFHPLO-QGZVFWFLSA-N 465.365 5.125 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccccc3Cl)s2)c(OC)c1 874096307 ZPWCHNOGFHQJDS-UHFFFAOYSA-N 456.980 5.515 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914694952 ZIEFHXJUARSVPF-KKSFZXQISA-N 451.523 5.010 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 915087009 PEHPCANJAFVQEY-HSZRJFAPSA-N 482.005 5.277 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)n1 915107915 XTLDABXBGRFGGH-MRXNPFEDSA-N 454.527 5.979 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 915397310 COAITOARCYOEET-UHFFFAOYSA-N 494.592 5.382 30 20 JKED O=C(c1cc(F)ccc1F)C1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 915708532 AGRJOIQXEMFEDH-DAFODLJHSA-N 491.378 6.137 30 20 JKED O=C(O)C(=O)/C(=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2n1 916138431 IJUVWZUMEMOHBT-DEDYPNTBSA-N 491.330 5.988 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(C3CCCC3)C2=O)cc1OC 916213159 AIJPIGFOJKPLNF-OAQYLSRUSA-N 488.009 5.260 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 916217263 JEEXCXXHIWRUHW-LPHOPBHVSA-N 478.401 5.133 30 20 JKED COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1CC(=O)O 916546869 LPUQCVFGRSOZLB-HJWRWDBZSA-N 459.329 5.078 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916886822 KVZBALHDUNFDSB-KRWDZBQOSA-N 461.490 5.309 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 916903975 VAAAEZXBFWFJLW-IBGZPJMESA-N 471.586 5.091 30 20 JKED N#C[C@@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Nc1cccc2ccccc12 916917672 ILCIZDNWGLOUCN-NRFANRHFSA-N 475.957 5.419 30 20 JKED Sc1nnc(-c2ccccc2Br)n1N=Cc1ccc(-n2cnc3ccccc32)cc1 917575170 WRIFKODCSGNRKN-UHFFFAOYSA-N 475.375 5.217 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(C[C@@H]3CCCO3)C2=O)cc1 917701110 RUGLVUREZKBHHE-ZEQRLZLVSA-N 473.598 5.288 30 20 JKED Cc1nc(CSc2ccccc2C(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)cs1 918937441 IBEOWIYLJFNLMJ-UHFFFAOYSA-N 479.627 5.464 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1 920804570 VSIMWQALMYVGNW-OAHLLOKOSA-N 459.905 5.128 30 20 JKED CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805700 FRUHALDUTXZNHH-HEXPHNKUSA-N 497.611 5.622 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C#N)c2Cl)C1 1780101030 QMAIRQVMYGLJSW-AJTFRIOCSA-N 488.072 5.336 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)COc4ccc(Cl)c(Cl)c4)CCC3)cc2)C1 1785807402 OAXNAEOVRGBHQR-UHFFFAOYSA-N 459.373 5.473 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)cc1 1785879998 QGEMIOOMFQGBFH-UHFFFAOYSA-N 479.367 5.250 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc4ccoc4cn3)CCC2)cc1 1788649907 ILUAYRJXZHSAGD-CMDGGOBGSA-N 471.538 5.076 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1789576469 XZJIMNQIIJEMJT-STBIYBPSSA-N 496.592 5.614 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#Cc5ccccc5)cc4)CCC3)cc2)o1 1789790067 HQEZUCJEXKTJCV-UHFFFAOYSA-N 489.575 5.753 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4F)CCC3)cc2)c1 1790074269 LANAHSZWMGSTHU-UHFFFAOYSA-N 482.515 5.249 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(C)C)no4)cc3)CCC2)cc1C#N 1790165039 WVMPSUZWABYCBY-UHFFFAOYSA-N 486.572 5.518 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)on1 1790165115 YXVMAJLVCFYSPJ-SFHVURJKSA-N 456.546 5.487 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4ccccc34)CCC2)cc1 1790567622 JUNYRPQDPYFJOU-KRWDZBQOSA-N 478.980 5.437 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCC(F)(F)F)c(F)c3)cc2)CCC1 1790586822 BAGCIWDXQLWHRP-INIZCTEOSA-N 494.485 5.106 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)cc2)CCC1 1790990211 FTDWZXDVAQTYJS-INIZCTEOSA-N 470.495 5.313 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)[nH]c2ccc(Br)cc12 1791579799 ZVMLPXAORDCTFR-AWEZNQCLSA-N 486.435 5.305 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(CNC(=O)OC(C)(C)C)c(C)c3)CCC2)cc1 1791588130 DCMTYWSGVFMTLS-UHFFFAOYSA-N 477.605 5.344 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CN(C(=O)OC(C)(C)C)C3CCCC3)CCC2)cc1 1791727325 DJMHEBXNOFZJSZ-UHFFFAOYSA-N 495.664 5.494 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C(=C)C(F)(F)F)CCC2)cc1)NC(=O)OC(C)(C)C 1792204877 KTGOOQIFXBMICH-IBGZPJMESA-N 495.542 5.099 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1792265290 KILAFXXNSSTNIB-UHFFFAOYSA-N 451.526 5.589 30 20 JKED Cc1c(Cl)ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/C(=O)c2cccs2)c1Cl 1796896632 OZQSZLALYRMHNV-FOMCXPQXSA-N 477.413 5.054 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1)c1ccc(O)cc1 1797448367 NKGCDRAREVXTDX-UVUJQTEASA-N 490.600 5.195 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Br)c3ccccc23)c1 1797983510 CQJQNEHKWJDGAD-ACDBMABISA-N 488.385 5.040 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1798334442 XZNZKELGYSVRGN-ZFFYZDHPSA-N 467.613 5.627 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Br)cc3)CCC1)C2 1798337435 LWXJONSQRSCKSV-BJESRGMDSA-N 485.466 5.277 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c(Cl)cc1C 1799240133 ICKYDSHJFQCHMV-XMTFNYHQSA-N 479.846 5.431 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1OCc1ccccc1 1799336913 IMDCTFJDPJXBDL-NUNAXRQHSA-N 497.035 5.154 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Cc1cccc(Br)c1 1802060971 OZPSIXWVJYKBGA-CZIXKKEKSA-N 473.455 5.034 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 1802228663 IZRGZBSLTSYXBB-KOUNCHBCSA-N 460.540 5.144 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cccnc3SCc3ccccc3)[C@@H]2c2cccnc2)C1 1802418536 UABWLAWMURBXTP-ZEQKJWHPSA-N 498.652 5.055 30 20 JKED CC(C)[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@H](S)C(C)C)C2)CC1)c1ccc(Cl)cc1 1806056472 HNSGMBMMYCJPPR-FCHUYYIVSA-N 465.103 5.265 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)CCCOc4ccc(Cl)cc4)C3)CC2)c1 1806723271 WTIIFJKNGREDBY-UHFFFAOYSA-N 494.035 5.224 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1807478186 VZHQHKXQQHNXKL-OFSOJUDTSA-N 473.661 5.256 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807842971 GWJHAQUDLWNYME-GEBXHLAXSA-N 494.639 5.540 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808545850 HFBPVNLRNFBCBI-NAKRPHOHSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1810503563 QKZMMVLGXDMYHO-URXFXBBRSA-N 480.052 5.465 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#Cc4ccccc4)cc3)[C@@H]2c2cccnc2)o1 1811252800 XVUVWMJLCLFNEJ-YTMVLYRLSA-N 489.575 5.016 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811786547 FYSMZDIYGABAKG-PXARDIRTSA-N 464.368 5.059 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4cc(F)ccc4s3)[C@H]2c2cccnc2)c1 1811937670 RIWBMRJPFVEFLU-IBVKSMDESA-N 498.583 5.249 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1813229099 WCDAQQXBXMBDFW-IRPSRAIASA-N 483.587 5.401 30 20 JKED C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CC1 1813550175 UXVHUOHXFZNAJV-JBIZMDSKSA-N 498.549 5.118 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccnc3C(C)(C)C)[C@H]2c2cccnc2)c1 1813867543 FKDJEZZJZKVBHD-PSUQPPDWSA-N 495.627 5.035 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)[nH]n2)c1 1814739839 ITXFYDUATBDVNG-RUZDIDTESA-N 481.600 5.028 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1815097414 XKILVYWFRNTDLD-KSFYIVLOSA-N 494.020 5.421 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815586843 IBZTYXIYBKFTIN-DGWZTRNLSA-N 489.664 5.082 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(OC)cc3[nH]2)n[nH]1 1818579838 MDIYIJRTPCJRRS-QFIPXVFZSA-N 463.582 5.198 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)nc2ccccc12 1818657810 FTTXQSFBZIBDPV-AFMDSPMNSA-N 492.583 5.513 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3s2)n[nH]1 1819075692 VAHMANKKJDCHHX-MRXNPFEDSA-N 473.396 5.269 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2Br)[nH]n1 1819301780 RHWQJQSITXVBPY-OXQOHEQNSA-N 489.389 5.386 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)ccc2F)[nH]n1 1819302104 ZXHUQUCDZOKAEG-OXQOHEQNSA-N 489.389 5.386 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1819302397 DMJGQNAOTTXXHY-BFLUCZKCSA-N 489.664 5.082 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819385554 XIIYRMQHIIMCAG-UNMCSNQZSA-N 454.691 5.221 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccccc2OC)[nH]n1 1819552277 HUNCAVUHPSXFDA-OAQYLSRUSA-N 452.599 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(C)noc1-c1ccccc1)CC2 1819599200 AOSIKQKOYJOVHS-RTBURBONSA-N 476.602 5.101 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820220055 HSWFECPZKLOVCO-SFHVURJKSA-N 495.008 5.061 30 20 JKED C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)n[nH]1 1820716806 GLNAGBMINGROGL-BRVOVERQSA-N 487.579 5.086 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(F)c1 1821025752 VZQSYPFQUVEYFK-GAJHUEQPSA-N 459.525 5.104 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1821157898 WUSQMDFWYHNQBZ-SANMLTNESA-N 492.583 5.309 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CC1 1821309747 AEGXAIIMSSPBLD-LAUBAEHRSA-N 485.510 5.352 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4ccoc4c3)n[nH]2)c1Cl 1821457630 SWHNAILXWGMPDE-HXUWFJFHSA-N 473.920 5.301 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@@H](C)c3ccccc3)n[nH]2)cc1C#N 1822044511 LNWORERGQFBSRR-CJFMBICVSA-N 499.615 5.568 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)c3cccs3)n[nH]2)c1 1822709232 UQRLMCQRDCJINH-CBGDNZLLSA-N 461.591 5.208 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)CCCO3)n[nH]1 1823137586 AURAJVFVPJJSQB-QHCPKHFHSA-N 492.696 5.092 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1F 1823215908 KCFYIKYWIAEIDE-MWTRTKDXSA-N 477.515 5.243 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)[nH]n2)c1 1823216354 HNOCLOHAVOHGNQ-SBUREZEXSA-N 467.529 5.403 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCc4ccccc4C3)[nH]n2)c1 1823217686 WONZPIYLLFUWII-LUPFDQBXSA-N 481.600 5.148 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)n[nH]1 1823520256 UUKZMBUERIJKJP-UYAOXDASSA-N 489.661 5.088 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)C1 1823700245 JUZNQPBYAZHJFL-FQEVSTJZSA-N 457.039 5.754 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2OCC2CC2)CC1 1823750530 NKANEPROXVWBQJ-XMMPIXPASA-N 467.654 5.096 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1824141641 YPALXDQDBMNSGD-QDPGVEIFSA-N 477.693 5.439 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2noc3ccccc23)CC1)c1ccccc1 1827087365 GIQWTIICWIJPDT-NAKRPHOHSA-N 497.639 5.187 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1827356390 VVYUIRMAZQOAMZ-DFBJGRDBSA-N 481.587 5.472 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccco4)no3)CC2)c(Cl)c1 1827419070 VHQBYQYTSAEUKL-JOCHJYFZSA-N 492.963 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1827494970 DPFDAZQRTIICHX-KNQAVFIVSA-N 469.029 5.170 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)CC1 1827731351 NTMZOTXQSDPWEB-QHCPKHFHSA-N 494.705 5.739 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1827732334 ODYIJOYSCCTLNJ-HSZRJFAPSA-N 467.009 5.800 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1828343866 ICEYBRAHLJFCRQ-AREMUKBSSA-N 475.658 5.087 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)[nH]c12 1828549449 MGCZAGIUUWTTKU-DEOSSOPVSA-N 489.019 5.549 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828745594 SEADJOYDNGHTJE-RDPSFJRHSA-N 468.041 5.823 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830627739 MBFANZPCCKNVPI-VWLOTQADSA-N 464.009 5.262 30 20 JKED C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1830717025 FNFTVWYCJGBQFW-FNZWTVRRSA-N 461.581 5.124 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1831444611 SPXZKQLTOVIOFY-QHCPKHFHSA-N 470.560 5.050 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1831447273 QQJMFQGTQZKOED-QFIPXVFZSA-N 466.544 5.058 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCCC2)CC1)c1ccc(O)cc1 1831920399 DQUASKQFTXIKJS-AHKZPQOWSA-N 464.650 5.089 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1 1832023802 JUKSYGOPRBEVFX-VCVMUTABSA-N 469.629 5.351 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(c3)CCCO4)CC2)c1 1832562369 GPNSMRGIDJQGAV-JIPXPUAJSA-N 485.628 5.186 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c12 1832633013 ZEXHBRSWWUISNT-IDISGSTGSA-N 482.628 5.651 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)CCC1 1832785118 IIVIIXVCTJWXMV-SANMLTNESA-N 495.627 5.157 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1838373549 VXUNKUICRPAKAX-NRFANRHFSA-N 493.475 5.682 30 20 JKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 10172685 WZPVJUUTMNDRNU-UHFFFAOYSA-O 485.698 6.911 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10757789 TYWUFRJAIADULU-UHFFFAOYSA-O 468.426 6.485 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)OCCO2 10758019 IOPQTGDEIYULKI-UHFFFAOYSA-O 497.999 5.468 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 10830815 XKRYEXOUJADFKM-UHFFFAOYSA-O 489.064 6.225 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccnc2Cl)nc2scc(-c3ccccc3)c2c1=O 16715364 BCRNJUSDIKGEKD-AWEZNQCLSA-N 483.018 5.479 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccoc1C 21925326 YBIRQTSLPVKTLX-CQSZACIVSA-N 496.574 5.184 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)cc1 24618619 JBRQZTMNAXGBNJ-UHFFFAOYSA-N 454.559 5.008 30 20 JKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C/c4ccc(OCC#N)c(OC)c4)nc(=O)c3s2)cc1 28621557 QJQCBBVOFUUBNG-BOPFTXTBSA-N 479.945 5.308 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)nnc1-c1ccco1 29549337 AFLQDNODDHLXEO-INIZCTEOSA-N 481.628 5.317 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32290577 CZCZMQFHFOIQSQ-UHFFFAOYSA-N 469.570 5.011 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1 97545653 DZPZQWOJGYZMDY-UHFFFAOYSA-N 450.582 5.073 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 108471182 RTEADFNZTZTJRV-FQEVSTJZSA-N 464.934 5.149 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N1CCCc2ccccc21 255930633 LGXOZVQCLCOHES-QGZVFWFLSA-N 469.010 5.157 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C#N 480217330 UIGCICCLFGITHY-MRXNPFEDSA-N 456.571 5.296 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccccn4)c3)cc2F)c1 481564773 ALAQBFVAHZIPMB-UHFFFAOYSA-N 495.514 5.245 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nc2sc(C)c(C)c2c1=O 501126971 YRCNCMLJSUYMON-CYBMUJFWSA-N 458.996 5.818 30 20 JKED Cc1ccc(Sc2ncccc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1C 501746818 NEAURMOEHLGDEO-UHFFFAOYSA-N 470.598 5.212 30 20 JKED CC[C@@H](C)n1c(SCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)nnc1-c1ccccc1 504048948 FJXXYOPPMOXRKP-QGZVFWFLSA-N 487.551 5.471 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1 505620962 LOIHKIDJCDDFFO-UHFFFAOYSA-N 457.511 5.647 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)sc2n1 507877548 VYXPFUMEICHZBU-UHFFFAOYSA-N 460.515 5.071 30 20 JKED CCN(C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)[C@H](C)c1ccc(C#N)cc1 509577714 DOETYJQTQNSLRN-QGZVFWFLSA-N 467.978 5.236 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 514213102 CZZHDUSAKLWFQH-MHZLTWQESA-N 456.565 5.246 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 516304977 BMSHXHCDIVQZHS-MRXNPFEDSA-N 465.456 5.076 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nccn1-c1ccc(Br)cc1 517450636 HFBGBRLCWUVSBS-OAHLLOKOSA-N 487.448 5.617 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc2c(cc1Br)OCCO2 517460243 ABBSZOOAKZSORR-CQSZACIVSA-N 493.448 5.344 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4cccc(C)c4)c3C(F)(F)F)n2)cc1 517800797 JODCLLAIYKGXSY-GOSISDBHSA-N 482.487 5.822 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 518486651 YJAGQQORHBVYDN-INIZCTEOSA-N 474.948 5.558 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)cs1 519947380 WIPHTUIFLNGIIB-IBGZPJMESA-N 469.614 6.004 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 521494909 DNGYEEPFGOLYFP-NIYFSFCBSA-N 453.542 5.289 30 20 JKED C=CC[C@@H](C(=O)N1CC(CN2CC(C)(C)c3cc(-c4cnn(C)c4)ccc32)C1)c1ccccc1 575883237 KVFYLZQUKGPFKD-RUZDIDTESA-N 454.618 5.003 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 589824180 MSMHOOGSOXVZNW-UHFFFAOYSA-N 489.420 5.432 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(OCc4cccnc4)cc3)s2)c(C(F)(F)F)c1 603672490 JJRXLUUSLDJQRP-UHFFFAOYSA-N 494.498 5.851 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 609054309 BPQOLSKPWIVEKZ-UHFFFAOYSA-N 467.481 5.243 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(C(=O)N4CCCCC4)ccc3Cl)o2)cc1 609060968 LMNUUJFDQMPECF-UHFFFAOYSA-N 463.921 5.262 30 20 JKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104557 HQAGKLRSUNMSGN-INIZCTEOSA-N 464.518 5.182 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 609377222 RFYFNOKDXOYOJI-PZJWPPBQSA-N 457.599 5.582 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 609438141 DACQIWQOAXWJEK-KRWDZBQOSA-N 488.451 5.713 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1[C@H]1COc2ccccc2O1 613395286 PFAJLKXNMUOLLR-YGKZAACZSA-N 490.585 5.081 30 20 JKED Fc1ccc(-c2cn3nc(NC4C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C4)sc3n2)cc1 613437779 JHANXJBNVQJSOG-QWRGUYRKSA-N 452.399 5.918 30 20 JKED N#C[C@@H](C(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281694 PAGPCFLOHPQSJX-KRWDZBQOSA-N 492.409 5.147 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 642452713 VZPOHQLNVPZIAO-UHFFFAOYSA-N 471.604 5.086 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 668399332 OCPSLXTWZUZXRU-UHFFFAOYSA-N 489.988 5.678 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cc1 726315615 NJTHZANCCBDERI-OAQYLSRUSA-N 464.352 5.172 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 726321752 PPBSMNHOPWXVLE-KRWDZBQOSA-N 498.313 6.026 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(F)c2)c1 726399061 WSSSJULVQIJNSM-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(F)cc2F)cc1 726569920 OLTAOCPAWQBQNT-UHFFFAOYSA-O 482.576 5.662 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 727134479 YOLHPYGYVHASRI-QFIPXVFZSA-N 458.518 5.259 30 20 JKED Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)cc1 727985210 CAJAOOJRDNGNLR-UHFFFAOYSA-N 466.493 5.535 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)cs1 728157488 XMKKGQAPYQKJRY-BJMVGYQFSA-N 494.466 6.235 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)c1 728185548 KYJLCJMLWYMOCE-WYMLVPIESA-N 482.536 5.700 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1C 728421478 VUXUYYZRCDFJJR-CYFREDJKSA-N 483.597 5.292 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cccs3)C2=O)cc1 728424665 GDNCAQPPAPSGPQ-FQEVSTJZSA-N 482.537 5.058 30 20 JKED N#CC(CCOC(=O)[C@@H]1CCCN1c1ncnc2sccc12)(c1ccccc1)c1ccccc1 728669587 AXGMIBNSJRIXRV-QHCPKHFHSA-N 468.582 5.103 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(O[C@H](C)C#N)cc1)C(=O)c1ccccc1 728699529 TVKVCXUCHTYICA-AHDHHBBCSA-N 452.554 6.007 30 20 JKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 728767052 TZENSCZHPFMEKO-VQTJNVASSA-N 452.432 5.862 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728780454 UFMQIPZXYCVMSB-JOCHJYFZSA-N 479.005 5.284 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C#N)c2cccc(OC)c2OC)c(OC)c1 729431671 FUIPOVZRFZJUKN-XMMPIXPASA-N 499.567 5.183 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)cc1 729634645 POMQRKDCWIPNGY-DEOSSOPVSA-N 472.614 5.476 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(C3CCC3)C2=O)c1 730458989 DNOLWSOHEGGXAC-QHCPKHFHSA-N 481.618 5.340 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccsc1 731310394 HGLIHEBZAAKNJD-HXUWFJFHSA-N 465.600 5.231 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 745313919 ZSWQEVGDPZFIKX-RDTXWAMCSA-N 460.477 5.480 30 20 JKED C=C(C)COc1cc(/C=C2\SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)ccc1OC 747041262 OUHDGUTVUABJOZ-XYGWBWBKSA-N 494.682 5.516 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccc1S(=O)(=O)C(F)F 747065959 GGAMIUYLYZZYAA-DAXSKMNVSA-N 497.859 5.409 30 20 JKED COc1cc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)ccc1S(=O)(=O)C(F)F 747066049 IUSXSCCLRBKPMJ-MDZDMXLPSA-N 494.947 5.103 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc(N)nc(Nc2ccccc2)n1 747111972 JEHGQRARFZUUIR-MRXNPFEDSA-N 496.383 5.047 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCc3nccs3)C2=O)cc1Cl 747600293 PEJKOXVOISVHJR-IBGZPJMESA-N 485.034 5.308 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=S)Nc3ccccc3Oc3ccccc3)CC2)c1 749108415 JSXDLVVINNRUHG-UHFFFAOYSA-N 456.571 5.398 30 20 JKED N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3SC[C@@H]3CC3(Cl)Cl)CC2)c(F)c1 750693552 DXWNTRYXBHJBMP-INIZCTEOSA-N 479.408 5.337 30 20 JKED COc1ccc(NC(=O)[C@H](Sc2nc(O)c(C#N)c(-c3ccc(OC)cc3)n2)c2ccccc2)cc1 824963673 DRQJMJAHFCCBSI-XMMPIXPASA-N 498.564 5.210 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccs2)cc1 837864555 FRPNRZWYVKZSIG-HXUWFJFHSA-N 471.554 5.495 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccncc2)ccc1Cl 875761927 RWXZZQNIQJCSQV-QHCPKHFHSA-N 482.005 5.094 30 20 JKED N#CCc1ccsc1-c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904670003 HNWOSJDGCWOJSQ-UHFFFAOYSA-N 462.840 6.391 30 20 JKED N#CCCN(CCC#N)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 913055549 JUYLGCKCOCVWDL-UHFFFAOYSA-N 461.378 5.116 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC)cc1 914550380 PBYFOOQTHRJDHJ-DEOSSOPVSA-N 489.597 5.002 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccc(OC(C)C)cc2)C1=O 914553994 NWNLHHMYEQTTLP-IBGZPJMESA-N 480.417 5.048 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc1 914963541 LLEWBXGCMSYKDF-UHFFFAOYSA-N 452.841 5.435 30 20 JKED FC(F)(F)c1cccnc1NN=Cc1cc(Br)ccc1OCc1ccccn1 915050499 SNDHOZJZWWZVCU-UHFFFAOYSA-N 451.246 5.283 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nc(C)c(SCC#N)s3)[C@H]2c2cccs2)cc1 916088330 FUWZBKLTHPRHCB-PXNSSMCTSA-N 482.656 5.560 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 916128434 CUODAHJNZRIOJX-WMZJFQQLSA-N 492.503 5.054 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 916622558 ACWJNVAJVZCBST-IBGZPJMESA-N 457.580 5.280 30 20 JKED CCCCCCCCc1nnc(NC(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)s1 916669669 JNVVSYRCBKXHGN-UHFFFAOYSA-N 458.632 5.027 30 20 JKED CC(C)(C)c1ccc(SCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847449 PIUFCOVLUVTFMG-QGZVFWFLSA-N 451.617 5.542 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(COc2ccccc2)cc1 916883571 MXBWQNOYSPXWDP-NRFANRHFSA-N 452.482 5.541 30 20 JKED N#C[C@@H](C(=O)CCc1cccc(Br)c1)C(=O)Nc1ccc(SC(F)F)cc1 916887814 RFUOTMKCKQKSRQ-INIZCTEOSA-N 453.308 5.044 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888375 WQBPHLZLSAYKGJ-INIZCTEOSA-N 461.490 5.534 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 916918608 QYEBCTQAWZNKEN-HXUWFJFHSA-N 463.522 5.110 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)cs1 916927687 BIAWKBVWFIVYNQ-QGZVFWFLSA-N 460.342 5.299 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1Cl 916936147 BJNIMGDKJLCVPE-KRWDZBQOSA-N 487.314 5.681 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1Cl 916941240 QWHYVSAVWXPVOQ-KMDWOBIYSA-N 471.365 6.091 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1 916942532 LXMVYMKRXWRLBC-SFHVURJKSA-N 452.919 5.206 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044867 VLBQSBFWOOULAP-DGCLKSJQSA-N 463.868 5.198 30 20 JKED O=C(Nc1cc(F)ccc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccoc1 917100209 CDSMUHAXLNCVAU-VXGBXAGGSA-N 466.353 5.310 30 20 JKED C[C@@H]1CCCC[C@@H]1OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917703478 NCLNGKBKOITRSA-VEXUSMLFSA-N 490.629 5.114 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1C1CC1 917704105 FEWRTGCGLQEBHC-SFHVURJKSA-N 492.910 5.353 30 20 JKED C=CCN(C(=O)COC(=O)c1scnc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919164784 USBLRDNJYMOCLG-UHFFFAOYSA-N 468.387 5.258 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3scnc3Cl)c2C#N)C1 919415301 HUCFNXHMBASSDT-NSHDSACASA-N 452.001 5.066 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 919513187 DJFFDJXKAFHKMX-GFCCVEGCSA-N 493.730 5.874 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 920110142 YVROENKPMBJTBC-FQEVSTJZSA-N 458.880 5.293 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3c(C)noc3C)C2=O)cc1 920353503 LKSGHMCZXMEQHD-QFIPXVFZSA-N 462.575 5.069 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cc(C)on3)C2=O)cc1 920353547 MKVXTEQXQYBONE-NRFANRHFSA-N 482.993 5.414 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2c(C(C)C)cccc2C(C)C)no1 920360291 VWQRABAYFRUWGZ-OAQYLSRUSA-N 468.623 5.030 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc2ccccc2c1 920869817 DTBZMZXOKJTISS-HOYKHHGWSA-N 491.613 5.091 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)Cc1csc(-c2ccccc2Cl)n1 926219454 BFQCYCCXYSWOKF-OAHLLOKOSA-N 461.008 5.214 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC(C)C)c(Cl)c2)C1 1780859248 SWDPUJBXHOLSPD-YIXXDRMTSA-N 491.072 5.247 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc4sccc4s2)C3)c1 1782972669 XZFFDWHUCCORBY-RXMJPHHWSA-N 493.654 5.031 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC(F)(F)C4)CCC3)cc2)cc1 1785795070 QQQRXPCBPMSJGR-FQEVSTJZSA-N 451.517 5.060 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCOc4ccc(F)cc4)cc3)CCC2)cc1 1785986930 BXFXGWZGKUHDCG-UHFFFAOYSA-N 471.532 5.109 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)cc3F)CCC2)cc1 1786676236 BTKHIFUZHVUPRO-UHFFFAOYSA-N 477.399 5.255 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc4sc(C)nc4c3)CCC2)cc1 1786679061 YYIAZHSYFUMGDS-UHFFFAOYSA-N 451.617 5.272 30 20 JKED O=C(/C=C/c1ccsc1)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1786943064 QOLRUKDLGIRXIS-YZUAGEKXSA-N 462.596 5.396 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)cc2)CCC1 1787030711 QEYQPNJRCKIHFZ-HXUWFJFHSA-N 472.589 5.539 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)noc3C)cc2)CCC1)C(F)(F)F 1787267896 QYAHUALNBWSBBR-UHFFFAOYSA-N 469.463 5.516 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)c(F)cc5nc4Cl)CCC3)cc2)CC1 1787882445 NXLVCNZOWGTKBN-UHFFFAOYSA-N 480.902 5.218 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)C4(C(F)(F)F)CCC4)cc3)CCC2)c1 1787936933 IMNKLBTUZWCVPE-UHFFFAOYSA-N 471.479 5.047 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)c1Cl 1790082648 JIMJLKWTWABXJK-UHFFFAOYSA-N 454.313 5.520 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCC(=O)Nc4ccccc4)CCC3)cc2)c1 1790256588 ZLXYJZHENKRQPP-UHFFFAOYSA-N 480.568 5.115 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)cc3F)cc2)CCC1 1790610088 DFKOZOWOJBXEKF-AWEZNQCLSA-N 463.912 5.167 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)c(Cl)c1 1790767971 UURQATUBBJRQFU-UHFFFAOYSA-N 498.892 5.687 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)c3ccc(OC)cc3)CCC2)cc1 1791299701 AGYQOPLBOPYTFN-UHFFFAOYSA-N 470.516 5.004 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)cc(Cl)c4n3)CCC2)cc1 1791575061 HBLMCSRDFNGRMD-LBPRGKRZSA-N 496.942 5.073 30 20 JKED C[C@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1791909297 LXCXHKGOKKSSQJ-HXUWFJFHSA-N 455.558 5.097 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnoc4C4CC4)CCC3)cc2)c1 1792122068 AHPJWJOTCRYLBS-QGZVFWFLSA-N 454.530 5.241 30 20 JKED C[C@]1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)CC1(F)F 1792248348 MIKCZQCHGBMCHA-OAQYLSRUSA-N 488.332 5.114 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3)CCC2)cc1 1792331379 RRUPJZAMSBXRAG-QFIPXVFZSA-N 496.007 5.004 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)cc1C(F)(F)F 1793951803 ZAHPHVJAJDSXMV-REPLKXPHSA-N 454.508 5.018 30 20 JKED CC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1800743449 OKPDNRSFMBRMGG-UAQJXBAMSA-N 461.528 5.045 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(C(F)(F)F)nn(-c3ccccc3)c1Cl)C2 1801639726 WZPITHCFMLUYCT-XYVMCAHJSA-N 494.945 5.009 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1802437199 LTBSZACXVJUGEM-VGEDVAHYSA-N 493.749 5.304 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c(OC)c(C)c2)[C@H]1c1cccnc1 1802499759 IRHOGWOIRRIEGY-VWNXMTODSA-N 463.622 5.019 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1802501092 SKDZODHMYXRPLZ-SIKLNZKXSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2c(F)cccc2Cl)[C@H]1c1cccnc1 1802847740 CFIBTBKIBGJQJU-YADARESESA-N 472.004 5.115 30 20 JKED Cc1c(Br)ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)c1F 1803678680 GVYGTINXTNHWLB-PPRPKMEESA-N 498.396 5.089 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1C(F)(F)F)C1CCC(C(F)(F)F)CC1 1803849841 ZSSRDFCHBSCDBD-QUZOXXGXSA-N 494.451 5.465 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC2)C1 1804866053 LXOOTTUYDLFYCB-QFIPXVFZSA-N 491.717 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1805696609 DZQKTIQHQIWAQP-QKNQBKEWSA-N 475.511 5.090 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1809096019 SWTKEZODACBDGD-BVAGGSTKSA-N 470.617 5.250 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@@H]1c1cccnc1 1810171115 DAJJSMGXMGKCCJ-GAOOGTRXSA-N 463.666 5.462 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 1810493052 UZDRFUVLETULSE-VLYJIQRVSA-N 463.597 5.023 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[C@H]2c2cccnc2)C1 1811305854 XBSHLOIFJWZLNV-JIPXPUAJSA-N 496.636 5.577 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811749093 LNHMVQGGIUPNCC-NSXLHWASSA-N 467.013 5.143 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811784699 YBSKXDXFCVKXRR-MBSDFSHPSA-N 490.406 5.616 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812672253 ULPTZMPKVDRPCB-WWNPGLIZSA-N 489.994 5.392 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1814105671 HEBLDXXNEZQDIR-JIPXPUAJSA-N 482.609 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1814261298 QANHWUKDBDEKSA-XALOKNAFSA-N 484.644 5.583 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccc(F)cc2F)n[nH]1 1815147379 ITQJKDPAOPEDGM-FXAWDEMLSA-N 474.577 5.241 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815214452 HGCVUQUHSCNKRY-OXQOHEQNSA-N 482.968 5.220 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1815654123 SBQOCGRGJRHSLP-QFIPXVFZSA-N 475.618 5.005 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817764591 AKHNFYHJEPWORN-URXFXBBRSA-N 487.579 5.685 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)[nH]n1 1819555961 MJIKGUFLOHAQOY-UKILVPOCSA-N 479.669 5.477 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)cc1 1820586548 WBEZKESMFZDQAR-QFIPXVFZSA-N 495.505 5.239 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821179514 ZJGYQESVXZZSLL-JOCHJYFZSA-N 461.953 5.057 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)[nH]n2)cc1 1821181815 DYLGJPMQWZSWTJ-SANMLTNESA-N 490.567 5.157 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC3CCCC3)[nH]n2)cc(C(F)(F)F)c1 1821309069 VQHWEURHRUNKIU-FQEVSTJZSA-N 473.499 5.186 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823210297 BUXAYJGOMCWNMB-ZMSGJQCASA-N 497.599 5.155 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)[nH]n2)c1 1823217461 TUGZPBKWRKLHLH-FHAGJXEFSA-N 469.589 5.536 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)c1 1823276971 MEZFRKCJHWJSKR-FQEVSTJZSA-N 483.906 5.141 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1824053116 FQWZWOWDOTUDSZ-MHZLTWQESA-N 496.611 5.079 30 20 JKED Cc1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1824675948 GYRSAQCXCGQMRQ-JOCHJYFZSA-N 458.744 5.341 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)CC1 1827649178 WJADOUYFXWECOP-GOSISDBHSA-N 469.548 5.228 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(C(F)(F)F)coc3C)CC2)c1 1827854573 KOKBIOPCSMIIOE-QFIPXVFZSA-N 487.522 5.334 30 20 JKED COc1cscc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1827912405 WZKLGECGOIUJPR-JOCHJYFZSA-N 474.743 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828580763 LIULILRFYGPTTM-GJZUVCINSA-N 463.622 5.178 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829582195 MEEWJXJXJGYVOI-KNQAVFIVSA-N 494.661 5.188 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830417388 XCSQGUAQJKBXIR-WMZHIEFXSA-N 492.060 5.161 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492671 XMINHPYQOVCCOJ-AMGIVPHBSA-N 476.617 5.303 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830511185 MZZZQZDVZUXFTH-IBVKSMDESA-N 461.581 5.308 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830535910 VVQBZMAVZWALBK-KKSFZXQISA-N 454.508 5.290 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)CC1)c1cccs1 1830576912 LMXBGFINFFUOBD-SHBDEGQCSA-N 489.012 5.213 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c(Cl)c1 1830721138 YTJFMFBSJCPTKK-RUZDIDTESA-N 499.989 5.356 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@@H](C)Oc3ccccc3)CC2)c1 1831235296 OLGZAVKAKZGESV-MRJKTFCFSA-N 487.644 5.405 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1)C(F)(F)F 1831450826 GLVHTQYAQCYPNH-QGZVFWFLSA-N 485.959 5.302 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1831953506 FMMCRBIZTLKBME-JIPXPUAJSA-N 475.608 5.237 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3nc(Cl)ccc3F)CC2)c1 1832633872 FLRWEIGQPFBMRA-VGSWGCGISA-N 482.987 5.048 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635918 YQLSIKMDXPGZDK-CYFREDJKSA-N 494.035 5.523 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1835681212 XVPBNPDWVALQNH-QFIPXVFZSA-N 497.083 5.083 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1cc(C)cc(C)c1 10172495 AZZAPXYPZHLGQE-UHFFFAOYSA-O 465.642 6.871 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(CC)CC)cc2)cc1 10173879 ZSNBXXSILPNNJZ-UHFFFAOYSA-O 478.682 6.283 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(CO)c2)cc1 10760843 BHQVQJBXFXZBAH-UHFFFAOYSA-O 457.978 5.433 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 11520091 AALHDUODADPHGL-UHFFFAOYSA-N 457.914 5.015 30 20 JKED COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1ccc(C#N)cc1F 13160442 GSIFGYQALRSZDB-UHFFFAOYSA-N 474.561 5.474 30 20 JKED COc1ccc2c(c1)c(CC(=O)Nc1ccc(CC#N)cc1)c(C)n2C(=O)c1ccc(Cl)cc1 15028999 JFEPOVZTTCIBNI-UHFFFAOYSA-N 471.944 5.548 30 20 JKED CC(C)c1ccccc1-n1c(SCC(=O)Nc2sccc2C#N)nc2ccccc2c1=O 15222686 HKUJVIBQUZIMNZ-UHFFFAOYSA-N 460.584 5.173 30 20 JKED CCc1cccc(C)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 16939040 JWPSQFQEMJASGO-QFIPXVFZSA-N 459.571 5.598 30 20 JKED COc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)[C@@H](C#N)c1nc(C)cs1 17151856 QHJUVZDBDGMARA-GOSISDBHSA-N 460.584 5.281 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(OCc3cscn3)c2)n(C2CCCCC2)c1C 17738425 BBUALWNFJSMGDM-UHFFFAOYSA-N 492.601 5.313 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)nnc1-c1cccnc1 18405190 RHMIRKAIOGDSLU-UHFFFAOYSA-N 457.603 5.162 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccsc2)c1 24384017 YTZGTOLNKFPJEG-UHFFFAOYSA-N 491.034 5.064 30 20 JKED Cc1nc(CSc2ccc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2)cs1 28896028 QTEQNAIDTLFJGS-CYBMUJFWSA-N 483.640 5.350 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nc2sccc2c1=O 36801342 RWITYXSHZNPIPR-IBGZPJMESA-N 475.639 5.354 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CCCc2nc(-c3ccc(OC)cc3)no2)c1 97545650 LSOAZCWQMOISOL-UHFFFAOYSA-N 451.526 5.283 30 20 JKED C=CCN(C(=O)Cn1ncc2ccccc2c1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 105836321 NDTIPQVNIAKDJK-UHFFFAOYSA-N 471.369 5.046 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 107806303 IPWQDWALEFMQDL-UHFFFAOYSA-N 462.509 5.867 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(OCc2ccccc2C#N)c1 108845708 SKNZXIMIOLNCIN-UHFFFAOYSA-N 468.340 5.155 30 20 JKED COc1cc([C@@H](C#N)NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc(OC)c1OC 110567790 MHZLULCRVNJPEH-RLWLMLJZSA-N 497.016 5.569 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 195586304 QVFLTXWGABUXQB-UHFFFAOYSA-N 473.498 6.216 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2ccccc2n1C(F)F 195727842 DVGZGQGZHWLVPM-XMSQKQJNSA-N 451.860 6.081 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)cc2)c1 303204558 PFEDZGAXPHZQPX-UHFFFAOYSA-N 495.608 5.385 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 409548201 IJEXEEBJQZZWPF-AVRDEDQJSA-N 461.375 5.454 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)c2)c1 409788330 WCDBGVHPJXGWQD-UHFFFAOYSA-N 497.864 5.642 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccccc2)cs1 410386682 XEOJXJVWHXLRDX-GOSISDBHSA-N 482.565 5.077 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccccc1Sc1ccc(Br)cn1 476148054 JLMSXEFPOCWIIG-UHFFFAOYSA-N 484.444 5.530 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 486040187 CVHJYHHIAIXEKC-UHFFFAOYSA-N 483.597 5.206 30 20 JKED COc1cc(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1SC 487315596 RAATZMRDZSSTOX-NRFANRHFSA-N 494.016 5.323 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 499964046 LFFAOKJCGMFLAJ-UHFFFAOYSA-N 455.533 5.153 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 500297388 AJAXXRFTIVWBCK-UHFFFAOYSA-N 485.357 5.127 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSCC(=O)N(C)C1CCCCC1 500741717 ZPROJZFUKQGHKB-UHFFFAOYSA-N 451.592 5.122 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 501157984 CZBFSEJIPQSVDK-HSZRJFAPSA-N 489.978 5.745 30 20 JKED Cc1nc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)sc1SCC#N 504837125 NOOGPYNPPREHME-UHFFFAOYSA-N 450.564 5.926 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2cccc(C#Cc3ccccn3)c2)nnc1-c1ccccc1 505036863 UPVRBELZWUWWIO-FQEVSTJZSA-N 467.598 5.442 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 505703850 WPSSYRLYPGXRPO-UHFFFAOYSA-N 457.486 5.037 30 20 JKED C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 509208966 FPBSWMPLXSEEIY-FQEVSTJZSA-N 490.554 5.521 30 20 JKED C[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1Oc1ccccc1 510292289 UETSTRNSEKAPOQ-FQEVSTJZSA-N 468.557 5.472 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OC(F)F 510675704 SFLXRCVHUHGIQW-UHFFFAOYSA-N 467.472 6.015 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 511748725 SRJWHIQIDACENA-KRWDZBQOSA-N 453.514 5.450 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1cccc(Cl)c1 514960400 PXUMRDXYUIPGAR-MRXNPFEDSA-N 469.998 5.054 30 20 JKED N#Cc1c(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)sc2c1-c1ccccc1CC2 515625069 NWWIJEILJRTEBY-UHFFFAOYSA-N 495.402 5.298 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccnc2SCc2ccc(Br)cc2)c1 516136048 BQSUXMRQXHHYAS-UHFFFAOYSA-N 482.403 6.071 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1 518146245 SVBXCGPGYYDRQQ-UHFFFAOYSA-N 460.497 5.349 30 20 JKED CC(C)c1ccc(CCNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 519009481 JIULZZLSMLSPOY-DEOSSOPVSA-N 459.977 5.416 30 20 JKED Cc1nc(NC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)sc1SCC#N 519564531 YNCBJIRUEKMCLI-QHCPKHFHSA-N 464.641 5.816 30 20 JKED C=CCN(C(=O)CCCOc1ccc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 520015167 SXHPYWYFKPQTIO-UHFFFAOYSA-N 459.474 5.375 30 20 JKED CC(C)c1nc2cc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)ccc2o1 520429745 SCMBUSMQUCNIHZ-UHFFFAOYSA-N 470.554 5.806 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccc(Cl)cc1 520814445 BEKVUQCLHJKJRN-MRXNPFEDSA-N 484.050 5.910 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cs2)cc1 524386840 ZARDAAOCTZRZNN-UHFFFAOYSA-N 483.593 5.971 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc(C(F)(F)F)c1 588342660 BEMWEKOJLADAEF-MRXNPFEDSA-N 496.379 5.360 30 20 JKED C=CCN(C(=O)c1cccc(C(=O)N(C)CC)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 591001918 WKXAGOHRQQAUOP-UHFFFAOYSA-N 481.621 6.402 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)Nc1ccc(Cl)c(C#N)c1 591603855 UAPJEEISXBWOLQ-CYBMUJFWSA-N 481.002 5.849 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)s2)cc1 603449300 RDRPRPHZERRXEV-JOCHJYFZSA-N 499.621 5.202 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)N(CC#N)c4ccccc4)o3)c3ccccc3n2)cc1 603597327 LXGTVDKFFSGVHO-UHFFFAOYSA-N 491.576 5.909 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc(OC)c1OCc1ccccc1 603623986 RBHKXKYVOIYBFE-UHFFFAOYSA-N 481.508 5.594 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1nc2ccccc2n1C(F)F 603660519 UOLHFOKAXBNQLY-LLVKDONJSA-N 453.371 5.127 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1Cl 603766280 QCWBPGVMVQCMMF-GOSISDBHSA-N 452.345 5.291 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2)cc1 603814576 JVMTXHXAHOGMIQ-GDLZYMKVSA-N 489.575 5.832 30 20 JKED CCOc1ccc(-n2c(SCC(=O)N(CC)C[C@@H](C)C#N)nnc2-c2ccccc2Cl)cc1 603901566 HNSOLDMYJWEXKY-KRWDZBQOSA-N 484.025 5.087 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 603941627 XYRSSFGXFPHSQV-UHFFFAOYSA-N 460.422 5.487 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 603983526 DPQASMUCMMEHDQ-UHFFFAOYSA-N 462.449 5.031 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2Cl)cc1 604089606 HOOCZRGRZMANFZ-UHFFFAOYSA-N 474.948 5.887 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604422530 QKWAVMSPCQUJJF-HOTGVXAUSA-N 499.411 5.187 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 608869972 DSCAQJIDGDIPDQ-OAQYLSRUSA-N 462.575 5.150 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 609370800 YHHFCGAUEQNOJG-HXUWFJFHSA-N 499.665 5.983 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 609400331 YRLXKNGSJVKGPQ-UZUQRXQVSA-N 463.990 5.436 30 20 JKED COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609427757 IMLRLPYPFFWGKX-HNNXBMFYSA-N 497.960 6.696 30 20 JKED COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1 609430341 PUGRABHXMYVQSW-QGZVFWFLSA-N 481.599 5.143 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 609435299 DRRDUNAVRVLMDP-OXQOHEQNSA-N 461.006 5.832 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)Nc4nc(-c5ccc(C#N)cc5)cs4)c(=O)c23)cc1 612539595 SVDRYVXBIIQIHS-UHFFFAOYSA-N 497.605 5.457 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320135 SOAQYFZEWVZAMD-IBGZPJMESA-N 480.014 6.851 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccncc1 613365730 YAWXXLGWSVJACX-DEOSSOPVSA-N 473.577 5.005 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)cc1 615370444 GGYGIPUVAHKJCB-JOCHJYFZSA-N 480.362 5.515 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)NC(c1ccc(F)cc1)c1ccc(F)cc1 619386723 HHYAEOXSACQWFE-GJZGRUSLSA-N 480.399 6.263 30 20 JKED CC(=O)c1ccc(OCCCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 642596480 HEANDGDYUKLRPY-UHFFFAOYSA-N 487.503 5.625 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](c2ccccc2)C(C)C)cn1 726113233 RBDVLDGQZBRQFD-ISKFKSNPSA-N 493.608 5.400 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccccc3)cc2Cl)c1 727999189 IRNXURXUFYETON-XMMPIXPASA-N 473.960 5.424 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 728025560 KCBOCIJBQSYSQJ-DHIUTWEWSA-N 479.577 5.124 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1 728185191 IHCNILJYXOVNJZ-UHFFFAOYSA-N 492.575 5.508 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 728412814 XBFDMVHRPGYSMQ-QVKFZJNVSA-N 471.479 5.307 30 20 JKED O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C\c3csc(-c4cccs4)n3)cc2)cc1 728439998 QQXPGOXFQFTFBA-XFXZXTDPSA-N 496.591 5.267 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3c(Cl)ccc(C)c3Cl)C2=O)ccc1OCC#N 728610749 LQQRQQIHISHKEY-YBEGLDIGSA-N 465.383 5.619 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 728776412 BNXHRCCDHGYMAE-IBGZPJMESA-N 492.498 5.499 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(F)cc1 728779416 ZLFBOPRVISCUKM-LJQANCHMSA-N 476.936 5.272 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1c(C)cccc1C 729630909 FWAVIMHPHSHUAU-QHCPKHFHSA-N 483.597 5.039 30 20 JKED C=CCc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc(OC)c1OC 729683207 GFBGDZBWVQKURR-UHFFFAOYSA-N 487.350 5.653 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCc3ccccn3)C2=O)c1 730535739 JAICUTBVVVBFSF-XMMPIXPASA-N 490.604 5.349 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944011 PQMANTYLBHBZGW-HTAPYJJXSA-N 489.557 5.020 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)c3cccnc3)C2=O)c1 730944917 ICNSFYDOLMAXKH-CYFREDJKSA-N 483.597 5.292 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCCC#N 731310140 BDLRXWZJEPJOIA-HXUWFJFHSA-N 470.982 5.008 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC2)C1=O 745990982 MYHWWSXJGYXPST-SFHVURJKSA-N 464.374 5.125 30 20 JKED COc1cc(/C=C(/C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)ccc1SC 746341540 BZCJJIWKUOTHJK-XSFVSMFZSA-N 461.539 5.093 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746998947 GRBULUWAJBCAMF-RLWLMLJZSA-N 479.605 6.132 30 20 JKED COc1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)ccc1S(C)(=O)=O 747062336 VATOGBZDBJLZSZ-UVTDQMKNSA-N 492.984 5.501 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1cscn1 747602233 KCNGHTOVCIOOFH-NRFANRHFSA-N 464.616 5.174 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)cc1 747603920 WTNZFAUDFYWKDZ-QFIPXVFZSA-N 478.643 5.483 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)CCCO3)c1 751242669 IYVZUGLCSYUKSB-UHFFFAOYSA-N 482.989 5.299 30 20 JKED CCOc1cc(/C=C2/N=C(SCCCC#N)N(c3ccc(OC(F)F)cc3)C2=O)ccc1O 780049667 BPXBLKGNFQMBDI-QGOAFFKASA-N 473.501 5.173 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(Br)c1 799224194 QERCIWKDSBAXQB-SFHVURJKSA-N 490.810 5.004 30 20 JKED COc1cccc(C2CC(=O)C(=CNNc3ncnc4scc(-c5ccc(C)cc5)c34)C(=O)C2)c1 814319002 ZKKRWEUTRUQFQS-UHFFFAOYSA-N 484.581 5.192 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)c(Cl)c2)cn1 837485018 LSGFCLAGFZCXIS-FQEVSTJZSA-N 498.967 5.043 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 837640992 MULVEGUPADGQAI-AUSIDOKSSA-N 458.587 5.420 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 837674307 WLYGISHJGGPESW-IERDGZPVSA-N 496.539 5.405 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837774553 BIGQUCUSPYKPOR-UZUQRXQVSA-N 492.576 5.341 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 838392138 RKJCNYOUEIFEJF-BTYIYWSLSA-N 499.423 6.110 30 20 JKED C=CCN1C(=S)N[C@H](c2ccc3ncccc3c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839787424 MWYTURZQQHSCAP-JOCHJYFZSA-N 482.531 5.584 30 20 JKED FC(F)C(F)(F)COCCc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904667675 DKTRQQKVIMNZJH-UHFFFAOYSA-N 499.770 6.056 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(O)c2)C=C1 912825222 MCNVRHDTSAMVNM-UHFFFAOYSA-O 468.986 5.063 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCCCc2nc(-c3ccncc3)no2)cc1 913216159 LCSRCFBJVILOML-UHFFFAOYSA-N 456.527 5.085 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 913267906 NOPULTYKAREYBY-FQEVSTJZSA-N 470.529 5.131 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 915086537 KWDHQFIMQCCXFQ-DEOSSOPVSA-N 459.496 5.111 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1 915099962 IPHHLGCMMIHCAZ-OAQYLSRUSA-N 494.016 5.509 30 20 JKED N#C[C@H](C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102778 HHDMLWRTRPANAI-GOSISDBHSA-N 497.407 5.710 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccc(C)o2)c1 915116480 HXXYGTVVOJIHJO-JOCHJYFZSA-N 499.539 5.078 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)cn2)c1 915174970 KBAYPKXVIYSCCM-UHFFFAOYSA-N 461.481 5.225 30 20 JKED CC(=O)N(c1nc(C=NNC(=S)Nc2ccc(C(C)C)cc2)cs1)c1ccc(F)cc1F 916299548 PGOXHQVJNOKFFH-UHFFFAOYSA-N 473.574 5.550 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)cc1 916885763 BDMSKPLGCJVUCZ-QGZVFWFLSA-N 473.526 5.403 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2cc(Br)ccc2o1 916888253 UOHOQEIGFPRFQT-CQSZACIVSA-N 465.275 5.471 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 916906459 UATMCAHYVITPBN-NFBKMPQASA-N 482.540 5.070 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1OC 916935573 SIMNKTVBRCOQMK-IBGZPJMESA-N 491.525 5.033 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1Cl 916941385 ULCWHZMCCKHJRC-QGZVFWFLSA-N 495.322 5.409 30 20 JKED COC(=O)c1cn(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc12 916996356 LEGKXGLXYYTUED-MRXNPFEDSA-N 484.364 5.735 30 20 JKED COc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1NC(=O)OC(C)(C)C 917335645 KJDPGVWAAWJSLP-UHFFFAOYSA-N 463.490 5.338 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 917426748 OPBNRKZDLRYBQP-OAHLLOKOSA-N 485.924 5.071 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cn(-c2ccccc2)nc1-c1cccc(C)c1 917505830 QHFZAGJCKRDQPH-JOCHJYFZSA-N 494.551 5.175 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)c([N+](=O)[O-])c1 917663313 QSELYDIODOQKDJ-FQEVSTJZSA-N 498.561 5.264 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccsc3)C2=O)c1 917668518 AKMZRLDSHDXJTD-JOCHJYFZSA-N 495.626 5.234 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 917699744 BTCUZGGYLRLGHI-QHCPKHFHSA-N 461.587 5.227 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 920016544 FDCISGKSOGQWSF-CJFMBICVSA-N 459.571 5.450 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OCC 920106753 ZRZCBGSTAWYOQQ-SFHVURJKSA-N 452.938 5.913 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)n2)cc1 920138982 MRRJVSWYMDCKSG-HXUWFJFHSA-N 463.559 5.333 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Sc3ccc(Br)cc3)n2)cc1 920139349 RXZLUKPHMUHSLD-SCLBCKFNSA-N 473.417 5.938 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)C2)c1 920141189 MVXZRFASDAZRSC-JTHBVZDNSA-N 468.582 5.027 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(OCc4ccccc4)cc3)n2)cc1 920141612 GCCOXMRKOPOUOY-DEOSSOPVSA-N 470.550 5.653 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@@H](C)c2ccc(C)s2)C1=O 920172368 HMUCTHWLKNXDJR-AOMKIAJQSA-N 497.617 5.926 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 920355990 RHSRHJBQKFSIGG-FQEVSTJZSA-N 468.966 5.105 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3CSc3ccccc3)C2)C1 1781943407 OGIUUYSPGMFQMT-VAVYLYDRSA-N 490.669 5.191 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)CCC3)cc2)C1 1785807596 XUFJRPISBSDDCW-RNXOBYDBSA-N 455.602 5.465 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(Br)c(F)c4)CCC3)cc2)C1 1785810648 YYUMHSUSHIJBEC-UHFFFAOYSA-N 471.370 5.231 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccco3)CCC2)cc1 1786548287 REERELLHWBPQAO-AUSIDOKSSA-N 495.620 5.062 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CCCC3)cc2)CCC1 1787610434 UZMUMIMRMDGHSX-QHCPKHFHSA-N 481.637 5.008 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5sc(N)nc5c4)cc3)CCC2)cc1 1788072338 IQXJWFYXJVSUJD-UHFFFAOYSA-N 481.581 5.006 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Br)nc3)CCC2)cc1 1789456010 ILTQDCUCGRSOFO-NRFANRHFSA-N 482.422 5.289 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789932462 OKGWFIHKPBPDNF-FQEVSTJZSA-N 455.558 5.087 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)on4)CCC3)cc2)c1 1790073259 ZVFIRDLYSILUOR-UHFFFAOYSA-N 492.535 5.283 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc2)CCC1 1790383760 FBGPNTVQYPOCEB-QFIPXVFZSA-N 483.653 5.254 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)ccc1F 1790520883 PGLQVQMFNLSCPL-UHFFFAOYSA-N 496.464 5.102 30 20 JKED CC(C)(C)OC(=O)CCCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1 1790560842 ZFJLTWRXYRKSOL-UHFFFAOYSA-N 492.620 5.316 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)ON=C(C)C)CCC3)cc2)cc1OCC1CC1 1790740136 LBNXQDPRHDDZCN-LJQANCHMSA-N 493.604 5.033 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4sc(C)cc4[nH]3)cc2)CCC1 1790879095 IIHJCZZCYRPVLV-MRXNPFEDSA-N 452.580 5.086 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4cccc(Br)c4n3)cc2)CCC1 1790924749 WYIROGKETIMQPF-MRXNPFEDSA-N 481.394 5.057 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C(=C)C(F)(F)F)cc2)CCC1 1791304870 QMCIFJALWXVHAO-IBGZPJMESA-N 495.542 5.099 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OCC4CC4)c3)CCC2)cc1 1791583858 BVDQVDFDEWTKOD-UHFFFAOYSA-N 460.574 5.035 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1791727818 ALDYFXHVHFKRCK-GYGTVUFYSA-N 469.629 5.692 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@H]4CC[C@H](C)CC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1791971015 FECQTTLPUHFDRC-PTLVVNQVSA-N 495.664 5.512 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205786 ZDKYMYQSMYAPEE-OFNKIYASSA-N 481.637 5.336 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)CCC2)cc1 1792266639 AMFPPPRXFSKBAP-VXKWHMMOSA-N 465.391 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(OC)c1 1796467395 WHVKAXSKEUHZSL-KOUNCHBCSA-N 461.606 5.001 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 1802135469 WDPDDBPPFDHNMB-BJESRGMDSA-N 489.701 5.091 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[C@H]2c2cccnc2)C1 1802406117 LIZJJDSNWNVVFB-TUSQITKMSA-N 466.025 5.147 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[C@H]2c2cccnc2)C1 1802414846 ZPCJUHQAPHTDLV-JPYJTQIMSA-N 484.427 5.092 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1802496114 KAXZNGBWFXPLHI-XCZPVHLTSA-N 469.629 5.476 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4c(Cl)cncc4Cl)C3)CC2)c1 1804739614 FGRCMYKBQCAVPF-QGZVFWFLSA-N 485.415 5.174 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CCC)C2)CC1 1809117937 HRTJFFJBEYWLCT-QHCPKHFHSA-N 493.733 5.662 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4cc(F)ccc4s3)[C@H]2c2cccnc2)c1 1809848978 QJJHUPGGNYVCSD-RXFWQSSRSA-N 498.583 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810112297 TVAHRAJGRNPFHE-LPOZWGFCSA-N 469.676 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1810504435 YZIHYDQMCWCWGS-AHKZPQOWSA-N 488.676 5.384 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c1 1811119873 VMYSSZKUGBJLNV-FTGWLVSGSA-N 490.966 5.135 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1812676421 UAUBSCHTMBUDHZ-DQEYMECFSA-N 475.539 5.280 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1812789620 AUMGBCLTAVQRKI-RLWOOJCVSA-N 493.673 5.050 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1812986264 LOPVVMSMPGQZHI-ATIYNZHBSA-N 478.036 5.056 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@H]1c1cccnc1 1813228982 UYBWITGGHHRJMI-LXFBAYGMSA-N 494.595 5.336 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1813828253 ZSLYJMMYLBUGEB-ZJSXRUAMSA-N 451.998 5.131 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(Cl)c1 1813831267 VCODWMOAWGHCBS-ATIYNZHBSA-N 496.127 5.414 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1)c1ccccc1 1814378083 GYXCTNLVOVXWNY-NOZRDPDXSA-N 469.589 5.100 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)ncc2F)[nH]n1 1814441622 CRCAHQNWJHOZLC-QGZVFWFLSA-N 492.393 5.005 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)[nH]n1 1814443861 DTCDDQDVWBRLMA-QFIPXVFZSA-N 493.608 5.055 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[nH]n1 1817122643 XOAWYKZADCYKSC-JOCHJYFZSA-N 490.995 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Br)[nH]n1 1819301781 RHWQJQSITXVBPY-UZLBHIALSA-N 489.389 5.386 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1819307935 QSJLFGJXQIYCGV-XLIONFOSSA-N 451.958 5.009 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1819385450 UMJDIVRTIVYJNA-HSZRJFAPSA-N 493.659 5.387 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1819386644 FUFRBJUSSNHVFK-JOCHJYFZSA-N 493.709 5.376 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)ccc1F 1821119534 WUBLSOKSRKPERH-GAJHUEQPSA-N 459.525 5.104 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821240949 GNJRXEDFLYSTRA-GOSISDBHSA-N 498.406 5.034 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc5occ(Cl)c5c4)sc3C2)cc1 1821438406 OHDPANKZPMDMEB-QGZVFWFLSA-N 490.972 5.148 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)c(Cl)c1 1822960917 CGOPVYSANIDLLP-MHVXWQKQSA-N 465.985 5.211 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)cc3F)n[nH]2)C1 1823303287 LFNKEHNGVZRUQO-GOSISDBHSA-N 451.329 5.128 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1823811208 FHEPIMJMCXQDBE-HSZRJFAPSA-N 484.427 5.341 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1823886196 UYHPLEYRMQVMFV-HSZRJFAPSA-N 496.449 5.385 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824326459 PEFNWDIIDAYZHP-HSZRJFAPSA-N 476.995 5.137 30 20 JKED O=C(c1cc2scc(-c3ccccc3)c2[nH]1)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824411602 VIXZKIHGBCDCEJ-RUZDIDTESA-N 485.653 5.543 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1824512131 DMVGVCJRQZJRMM-AJTFRIOCSA-N 460.618 5.178 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1824957289 AFXCBVPEIMROIU-RUZDIDTESA-N 477.674 5.210 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)CC2 1825254936 YJRXGUJIUUOZET-AWEZNQCLSA-N 490.963 5.090 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cn1 1825751057 WOSWMHGXVSDGRS-XMMPIXPASA-N 498.549 5.082 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c1Cl 1826268927 YOBUEYFGLFYPCE-QHCPKHFHSA-N 456.030 5.415 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826780020 BQHQRQZYKRKYHB-WOHWVRMTSA-N 491.720 5.977 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)c(Cl)c1 1828411650 IEWQQLXFKRUGAU-QFIPXVFZSA-N 459.993 5.117 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)cc(C(F)(F)F)c1 1828411717 KSEIFXCJSFAYFC-QFIPXVFZSA-N 493.545 5.483 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1Cl 1828422154 LHWWTANJYFLZSM-HYBUGGRVSA-N 495.973 5.363 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1828891106 SXYIAGUPEJQMGB-YKSBVNFPSA-N 483.653 5.333 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c1Cl 1829692906 PPOCGYNYPZPCEA-BTDSVWAKSA-N 468.041 5.271 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829907546 NYAVODOJYQPCRT-BDYUSTAISA-N 490.644 5.285 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F 1829975406 AMAHBUUJLQXFMD-SFHVURJKSA-N 463.327 5.345 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)CC2)c(Cl)c1 1830101137 SFCMDOWKXGJPMJ-QHCPKHFHSA-N 471.935 5.037 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)nc2ccccc12 1830629470 YUZMEWFFHKFPFR-NDEPHWFRSA-N 480.612 5.156 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830750468 WTAGUCHYARXIMR-SANMLTNESA-N 459.565 5.122 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cccc(Br)c3)cc2)CC1 1830803566 IXLATTDMEZSCSJ-XMMPIXPASA-N 494.433 5.263 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nscc23)CC1 1830967459 AYZUIKAGUXUTAY-XMMPIXPASA-N 451.636 5.298 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1831444998 YEEPVXJGQNUNCO-FQEVSTJZSA-N 490.488 5.218 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1831445561 DDSUCIJZBAGGBG-JOCHJYFZSA-N 474.592 5.235 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1831445565 OXOOKGOOSJXJNS-FDFHNCONSA-N 464.984 5.275 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(Cl)c3)CC2)c(C#N)c1 1832609468 FADZFDZCAPINNQ-AREMUKBSSA-N 494.035 5.005 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832635831 UQHDIBXPILGVCL-VTQQXGRRSA-N 495.667 5.669 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C(C)(F)F)CC2)cc1C#N 1832702540 KHACKEQIEKQYLK-JOCHJYFZSA-N 489.607 5.260 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 1838373400 MAIQXDMYQGTAAW-QHCPKHFHSA-N 496.545 5.225 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CC1 1838537964 RLJLIYQBQXREJJ-OAQYLSRUSA-N 478.608 5.317 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c1Cl 1844736553 NHEBTMQWKKWDBV-UHFFFAOYSA-N 483.182 5.303 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc([C@H](C)C#N)c1)C2)c1ccc(Cl)cc1 1845933180 WTHIWTWQEFKZLU-NTKDMRAZSA-N 464.009 5.224 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(C(C)(C)C)cc2)c1C 10827026 JDCZZAWQCMKUAM-UHFFFAOYSA-O 499.056 5.707 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccc(F)cc1 10925738 XYEAGIFLQDZCMG-MRXNPFEDSA-N 471.627 5.573 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1 11263064 ISEPAMVUBHQVQV-UHFFFAOYSA-O 465.589 6.305 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nc2ccccc2c1=O 15230979 UIEYKVXJNIDCNQ-QHCPKHFHSA-N 457.555 5.063 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(N/N=C3\C(O)=Nc4ccc(Cl)cc43)c([N+](=O)[O-])c2)c(C)c1 20791310 LBOSCINWKTVKJY-UHFFFAOYSA-N 499.936 5.084 30 20 JKED N#CCCN(C(=O)CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)c1ccccc1 21107054 KZIGHLCLMXDIKE-HKOYGPOVSA-N 484.556 5.249 30 20 JKED O=C(C[C@@H]1S/C(=N/c2ccccc2C(F)(F)F)NC1=O)Nc1cccc(Cl)c1Cl 21132308 CGCPJHCYGSBEMT-ZDUSSCGKSA-N 462.280 5.260 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 23518758 XCZGGJAVZCSMJP-RTBURBONSA-N 494.636 5.419 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccc(F)cc1 24014778 WAQWUWULLIPEBT-ROUUACIJSA-N 460.578 5.781 30 20 JKED COc1cc([C@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1OC(C)C 30492669 JUOCVEHSLDIXKU-DLBZAZTESA-N 455.624 5.362 30 20 JKED CCCOc1c(Cl)cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 71981825 KIWOLPAQTMVYFM-UHFFFAOYSA-N 464.949 6.035 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccccc1CSc1nc2ccccc2o1 139640358 XNFYSHKJHXUGOB-UHFFFAOYSA-N 459.596 5.655 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](c3ccc(F)cc3)c3ccccc3Cl)CC2)c1 409525069 GNYIKSYLXLHDKQ-RUZDIDTESA-N 490.966 5.500 30 20 JKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 480183733 PKOXNUSNNGVHRF-UHFFFAOYSA-N 470.573 5.087 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(CN4CCCC4)c3)cc2F)c1 481623005 JHDLCLGZISYROM-UHFFFAOYSA-N 458.537 5.194 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(N4CCCCCC4)nc3)cc2F)c1 481623980 KQEQRCXIJDRKOF-UHFFFAOYSA-N 473.552 5.373 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4s3)s2)c(C(F)(F)F)c1 487351172 GAOVHUIFXXGHRZ-UHFFFAOYSA-N 472.517 5.805 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)Cn3cnc([N+](=O)[O-])c3)c2C#N)C(C)(C)C1 498132554 UCWYBUTWOVHSOK-PLNGDYQASA-N 479.587 5.511 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)cc1 499674976 AHQJVRUJDMVQCG-QFIPXVFZSA-N 498.352 5.655 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 501133064 NHSADIHNYNJZHY-UHFFFAOYSA-N 493.361 5.572 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1C1CC1 502729708 WGWDLULSAYJXAP-MRXNPFEDSA-N 451.621 5.148 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)CC1 503518038 UDJDGBCZACTNJI-UHFFFAOYSA-N 453.571 5.579 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1OC(C)C 510232681 YFQIUOSTLSHDKS-OAHLLOKOSA-N 483.619 5.381 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 511578460 SHUFVKZNCACBSQ-QGZVFWFLSA-N 463.534 5.497 30 20 JKED O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 514427892 LATKSVVFWZRIDS-UHFFFAOYSA-N 491.388 5.753 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 515649594 RQLBLDWPZMQDTJ-DHIUTWEWSA-N 450.460 6.093 30 20 JKED C=CCN(C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516069836 LHLDENQFOJFWPB-RZFNWQHOSA-N 490.691 5.210 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516458449 ARUWAJKUGGTLCW-DEOSSOPVSA-N 473.960 5.157 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 518255396 BLLYPDOYKDJKRF-OAHLLOKOSA-N 493.511 5.362 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)n2)cc1 518516726 VFAYVVJFMZEUAP-DHLKQENFSA-N 495.560 5.251 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)c4cccs4)c3)n2)cc1 518516765 XGIIRJGOACXQDS-LJQANCHMSA-N 459.552 5.623 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 518870048 PMRUXHBQGGKISE-HNNXBMFYSA-N 497.523 6.340 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC(F)F 520599807 LKHRCJRQZOAQTQ-UHFFFAOYSA-N 467.472 6.015 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 520840240 GAPZGUNSORWRLH-FCCHGPORSA-N 485.609 5.971 30 20 JKED N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc(-c2c(F)cccc2F)cs1 521259690 UOIUUPHIKVRCFX-AWEZNQCLSA-N 450.491 6.199 30 20 JKED CCN(CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 521387313 BZYXBJOLCCOEPX-UHFFFAOYSA-N 490.991 5.101 30 20 JKED C=CCn1c(SCC(=O)N(c2ccc(C)cn2)C2CCCCC2)nnc1-c1ccc(Cl)cc1 521715873 CBJYVIZEWLOVLF-UHFFFAOYSA-N 482.053 5.946 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C2CC2)cc1 523219721 LRPNXGQMTWPEDP-SANMLTNESA-N 458.606 5.268 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 524233450 AQAZCRUIIRBEAM-UHFFFAOYSA-N 479.334 5.031 30 20 JKED N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 524337511 ODOVTABMAPOMIQ-HHHXNRCGSA-N 497.576 5.061 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 524700467 IFERHGIKZAMGOT-UHFFFAOYSA-N 455.967 5.643 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3N(C)C(=O)c3ccco3)n2)cc1 595127151 AGCBZEPKXMDPHR-IBGZPJMESA-N 457.511 5.178 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)nc(O)c2c1C 602754951 DERJBESLEBIPLR-GWCFXTLKSA-N 472.661 5.332 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(OC(F)F)c(Cc4ccccc4)c3)CC2)cc1 603652581 IIZLGFJNYKCMLO-UHFFFAOYSA-N 490.554 5.490 30 20 JKED CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604089605 HOMQQFRTSBRVER-UHFFFAOYSA-N 474.948 5.560 30 20 JKED CC(C)(C)C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089897 QWWUPYHYNAASEC-UHFFFAOYSA-N 454.958 5.163 30 20 JKED COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 608841535 RJYQVSGQBURLRR-UQBPGWFLSA-N 474.992 5.652 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1sc(-c2ccccc2)nc1C 609006087 YSIHAGKYOYLQAO-UHFFFAOYSA-N 482.565 5.346 30 20 JKED CN(C(=O)c1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1)c1ccccc1 609174908 YPCCOVHUXPQGAM-MUUNZHRXSA-N 475.548 5.537 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H]1c1ccc(OC)cc1 609377859 HHLZRTDUAOPFKB-NDIWIEOSSA-N 479.646 5.665 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 609399681 JAPSNJWGNLLIPW-NRFANRHFSA-N 468.582 5.060 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 609435719 HUGBINBJJYEXIA-SBUREZEXSA-N 463.990 5.579 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 609437088 PBVIAADMWBRAGS-UTKZUKDTSA-N 492.567 5.295 30 20 JKED C=CCOc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)c1 619109950 BNKFOFSATJKDAE-RUZDIDTESA-N 473.960 5.366 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2c(C(F)(F)F)cc(O)nc2o1 641870541 YLPGIMIETHQSOA-UHFFFAOYSA-N 458.236 5.842 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2c(F)cccc2F)n1 726320352 XDCGDSLKKLJKNY-MRXNPFEDSA-N 475.476 5.842 30 20 JKED C[C@H](CN1CCCC1=O)n1c(-c2ccc3nc(O)oc3c2)csc1=Nc1ccc(C#N)c(Cl)c1 726392039 YIHNDBANIIOSJT-CQSZACIVSA-N 493.976 5.004 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCCC3)C2=O)cc1 726408388 ZCLHFKCZYZMZAP-NRFANRHFSA-N 466.994 5.423 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccsc1)c1cccs1 726420953 KGUCQQYYVGZCTP-ZIAPORJASA-N 491.610 5.678 30 20 JKED COc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1NC(=O)OC(C)(C)C 726503141 HBHXMQUWGOYXNP-UHFFFAOYSA-N 463.490 5.338 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 726524746 LDIAZULTKKKKNC-UHFFFAOYSA-N 482.471 5.398 30 20 JKED N#CCOc1cccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c1 726845624 MTOLWYKECDDKTQ-VWLOTQADSA-N 460.965 5.181 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)c(Cl)c1 726892344 TXBFCSHKEBATCD-QGZVFWFLSA-N 496.803 5.249 30 20 JKED O=C(CON=Cc1cccc(OCc2ccncc2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 727434003 FVMFAMQXVDHSQT-UHFFFAOYSA-N 463.843 5.322 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2Cl)c1 727999207 JOLVJZDATFKOMV-UHFFFAOYSA-N 486.709 5.714 30 20 JKED CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 728192322 HZMPXMPFETZKDW-UHFFFAOYSA-N 467.541 5.252 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1csc(-c2ccccc2F)n1 728328947 ZOHIGDLFZYZNMD-UHFFFAOYSA-N 491.338 5.104 30 20 JKED Cc1oc2c(CN3CCCN(c4ccccc4C#N)CC3)c(O)ccc2c(=O)c1-c1ccccc1 728710381 XRLANPPFVSDWKT-UHFFFAOYSA-N 465.553 5.058 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCCCC#N 728779432 ZTOCDWBKQYVYKZ-NRFANRHFSA-N 469.010 5.611 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O)NC1CC1 729142242 IVLBUJLYMFVGNX-FYYLOGMGSA-N 469.557 5.106 30 20 JKED C=CCn1c(SCc2ccc(OCC#N)cc2)nc2scc(-c3cccs3)c2c1=O 729242717 YQTXTJBKHXHOJV-UHFFFAOYSA-N 451.598 5.567 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ncccc2C)c1 729634520 NKELZVVUQMIPIT-XMMPIXPASA-N 483.597 5.039 30 20 JKED COc1ccc(/C=C2/CN(C)C/C(=C\c3ccc(OC)c(OC)c3Cl)C2=O)c(Cl)c1OC 730434435 MMSWIHVXABXVBG-VRNBXGKJSA-N 478.372 5.009 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1C1CCCC1 730520523 MLIHJFCYOJNHFN-QFIPXVFZSA-N 451.592 5.161 30 20 JKED CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2cnnc(O)c2Cl)cc1 730567960 IIACTVDFNFGUEQ-UHFFFAOYSA-N 464.982 5.636 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944424 WMLDCDWCKUIKIC-GAJHUEQPSA-N 472.570 5.006 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743450206 YKGAPEXLJYUUBV-CYBMUJFWSA-N 494.787 6.049 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1F 743525450 QHOOPXLCAZDXRY-KRWDZBQOSA-N 453.461 5.133 30 20 JKED O=[N+]([O-])c1ccccc1-c1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)o1 745985373 FKHFSOPWPAHYNQ-UHFFFAOYSA-N 455.499 5.361 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1F 746694362 ZRPAFQKPYBSQGV-OAQYLSRUSA-N 475.561 5.050 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1OCCCC#N 747473176 WSKIJSCPHWDFLA-CPNJWEJPSA-N 476.526 5.385 30 20 JKED O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1cc(F)ccc1[N+](=O)[O-] 751073423 VRPRUWXIIVDTAG-UHFFFAOYSA-N 493.360 6.071 30 20 JKED Cc1cc(S[C@@H](C)C(=O)OCc2noc(-c3cccs3)n2)n2c(nc3ccccc32)c1C#N 753599963 BJQWAMKOKAHIHW-AWEZNQCLSA-N 475.555 5.003 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCc2ccccc2)C1=O 838536035 YYNSMDYFSAGKMJ-HSZRJFAPSA-N 495.551 5.176 30 20 JKED CC(=O)Nc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)cc1 874065244 YNKJQYXGOPGWEH-DEOSSOPVSA-N 486.597 5.114 30 20 JKED CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1 904703711 LLSVTHGYSDNLCL-ZDUSSCGKSA-N 499.383 5.334 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C 914541552 WLEJFXJJUBKYRU-XMMPIXPASA-N 473.598 5.302 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)[C@H]1c1ccc(OC)cc1 915103932 HZEMJLZOCPQWDE-SFYKDHMMSA-N 480.515 5.006 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Br)c(-c2ccccc2)cc1OC 915270731 QEDGNAXLMNNBJF-UHFFFAOYSA-N 495.402 5.563 30 20 JKED COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 915915733 JHEVZIUFCYBHSG-UHFFFAOYSA-N 483.450 5.054 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccco3)C2=O)c1 916205555 PNVGEOFAJIYDNT-JOCHJYFZSA-N 463.559 5.066 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(C2CC2)C1=O 916206911 AUBNSOXREOKCQF-HXUWFJFHSA-N 457.983 5.088 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 916207690 IVPJKRFQWXVMHC-HSZRJFAPSA-N 467.635 5.307 30 20 JKED CCCOc1c(Br)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OC 916546054 CQTNKLIIZJGHIX-UHFFFAOYSA-N 495.830 5.666 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846446 VTJGDVONQYKSQB-INIZCTEOSA-N 495.402 5.247 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)o1 916887954 QILXOTWKLQUYEV-QGZVFWFLSA-N 472.469 5.143 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c12 916912104 XPJXHIGHRPMUSI-INIZCTEOSA-N 451.958 5.233 30 20 JKED N#C[C@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc2ccccc2n1C(F)F 917041873 ZGPOVVNBTDUJRW-MRXNPFEDSA-N 472.904 5.539 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)cs1 917561865 AYSMUSRPQCEDIH-JAIQZWGSSA-N 466.563 5.475 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(Cc2ccccc2)cc1 917612943 IKGOQKOLNNBTFI-UHFFFAOYSA-O 493.568 5.668 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2Cc2ccc(C#N)cc2)cc1 917682231 HXCSLXOYNMLZST-RUZDIDTESA-N 497.624 5.093 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(C(C)C)c1 917712634 LMVGCXPRSURITF-OAQYLSRUSA-N 469.994 5.066 30 20 JKED COc1ccc(CCCN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)cc1 918151543 XKCONHOUUKXGFR-VWLOTQADSA-N 498.608 5.160 30 20 JKED CC(=O)N(c1nc(COC(=O)CCc2c(C)nn(CCC#N)c2C)cs1)c1c(C)cc(C)cc1C 919251080 MZVSIEMYTHRYQE-UHFFFAOYSA-N 493.633 5.156 30 20 JKED CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N(CCC#N)c1cccc(C)c1C 919558878 XJDVQWFSGLWZSX-UHFFFAOYSA-N 490.387 5.453 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3ccc(Br)cc3)n2)cc1 920142165 SSRZKZYOLXUNOJ-SFHVURJKSA-N 468.401 5.554 30 20 JKED N#Cc1cccnc1NCCNC(=O)c1oc2ccccc2c1CSc1ccccc1Cl 921167224 UCSRUNNRYXHQAX-UHFFFAOYSA-N 462.962 5.487 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2SCc2cc(C)no2)c1 927547447 FHUBPYAOCOEDIB-HXUWFJFHSA-N 477.586 5.384 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3cccc(Cl)c3c2)C1 1781403422 LEZHJDXEZUKTEP-YIXXDRMTSA-N 484.040 5.008 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)C4CCN(C(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785807778 PRQVXTLZOOJTCF-HXUWFJFHSA-N 495.664 5.370 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCc5ccoc5C4)cc3)CCC2)c1 1786218306 WBVKRMZRTSNWPL-XXBNENTESA-N 467.569 5.459 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](F)c4ccccc4)cc3)CCC2)c1 1786616161 ZSRHMFUYMYUYNO-DEOSSOPVSA-N 457.505 5.025 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3Cl)cc2)CCC1 1786626725 BYVYQEJCDMHMDK-UHFFFAOYSA-N 491.950 5.106 30 20 JKED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCCCCCCCCc3ccccc3)C[C@@H]21 1786705103 CLBRRNOVMRFBJR-QKDODKLFSA-N 481.681 5.023 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccnc(C(F)F)c3)cc2)CCC1 1787017403 XTQNQJBGKURZHG-UHFFFAOYSA-N 483.635 5.818 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)cc2)CCC1 1787037936 NRRZGGYXRXNNRS-UHFFFAOYSA-N 475.614 5.357 30 20 JKED CC1(C)CCC(CC(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)CC1 1788029662 WSNURKKUPQVJJZ-UHFFFAOYSA-N 452.643 5.009 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5[nH]ncc45)cc3)CCC2)c1Cl 1788442856 VZTOEDPXZUREOV-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cc2)CCC1 1789191199 GGNYHNVWAKEOMO-FGCOXFRFSA-N 466.622 5.236 30 20 JKED C[C@H](Nc1nccs1)C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508972 YSSMKPKAEHLEKJ-IBGZPJMESA-N 482.726 5.129 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cncc4cnccc34)cc2)CCC1)c1ccccc1 1790010805 FEKRCQCRUQDNBV-MHZLTWQESA-N 488.591 5.575 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccc(F)cc4)CCC3)cc2)c1Cl 1790081623 GPOAYPJQQQERBD-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790089768 BQVOLMRAAUBSQD-JOCHJYFZSA-N 466.965 5.407 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(Br)CC4)cc3)CCC2)cc1C#N 1790544854 XXVWSYVSGNCZEM-UHFFFAOYSA-N 496.405 5.021 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)cc1 1790859895 OADYNXFBKYXWQN-UHFFFAOYSA-N 460.537 5.362 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3sc(-c4ccccn4)nc3C)CCC2)cc1 1791582845 QIQLHEWVCCLOOT-UHFFFAOYSA-N 458.587 5.065 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccco3)CCC2)cc1 1791584973 PZRHNEIOMXWNQQ-QFIPXVFZSA-N 493.604 5.173 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)cc2)CCC1 1791726906 VXWZLCPEFPPSJH-NRFANRHFSA-N 497.636 5.039 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4nn3)CCC2)cc1 1791727380 JEIMABWMVFISPT-UHFFFAOYSA-N 460.965 5.225 30 20 JKED Cc1nc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c(C)s1 1792123030 HFEPPNPDLQHVDJ-QGZVFWFLSA-N 472.614 5.377 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5cccnc5)cc4)CCC3)cc2)CCC1 1792233372 ITXFZECIIVWCDV-UHFFFAOYSA-N 450.542 5.190 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(F)CCCCC1(F)F)c1ccc(C(F)(F)F)cc1F 1797806532 FHJLUKZCHBHQST-YYQBIWNASA-N 480.424 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(Br)cc1F)C2 1798332767 ZEXXOGPPMAQKNP-ILZXFKDQSA-N 475.402 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCCC(=O)OC)C2 1798339366 SMHGYSHMRLLNME-NDBXHCKUSA-N 474.686 5.467 30 20 JKED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1 1800664783 ATXOJHYGGXHBRE-XBYSBRQOSA-N 479.646 5.032 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C 1800834479 CYJZYVUDCATNBT-KOUNCHBCSA-N 481.637 5.362 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1802503714 SGYXKPZUAXMFDO-ZCYQVOJMSA-N 489.660 5.497 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1803085023 XGBIVGRDJVIILN-NBGIEHNGSA-N 477.008 5.304 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2F)[C@H]1c1cccnc1 1803980855 YLBVWFOOONBFAQ-LATFHXTDSA-N 467.560 5.071 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1804172754 OXZAUSGZPKPJQU-HOFKKMOUSA-N 489.616 5.127 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4csc(-c5ccccc5)n4)CC3)C2)cc1 1804759289 WJUXOIDVQGTUFQ-UHFFFAOYSA-N 498.652 5.159 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1)c1ccc(Cl)cc1 1805635817 SBADFWIDNYCAJJ-VWLOTQADSA-N 478.036 5.496 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1809277124 XTOFODNRHQWPTG-ATIYNZHBSA-N 470.617 5.250 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)/C=C/c3cccs3)C2)CC1 1810004301 LORHSECIWYWIAA-VAWYXSNFSA-N 456.728 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1810494651 FXAYCHLDUFQVCY-IGKIAQTJSA-N 484.644 5.697 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCCC4(CCN(C(=O)c5cccc(C#N)c5Cl)CC4)C3)c2O1 1810726159 WMQSEVIOYRXBOC-UHFFFAOYSA-N 492.019 5.084 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810728670 ZDNWIOKHTNWANI-SVEHJYQDSA-N 481.596 5.387 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(Br)c2)[C@H]1c1cccnc1 1811046335 KEVDLPGWEMAGAL-UQASEVPWSA-N 490.829 5.029 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811442993 WJNIPQPBUDSQKK-WIOPSUGQSA-N 493.529 5.419 30 20 JKED CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1812033646 LPJBEWMWJXIJGP-MHWRTBLVSA-N 480.612 5.295 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1812198605 XSMHUWKCQZLZNT-GBXCKJPGSA-N 475.614 5.090 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1)C(F)(F)F 1812678383 CROOVFPFZGJAGP-RDPSFJRHSA-N 495.501 5.312 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](S)C(C)C)n[nH]1 1815244272 ZUQIIQOZDMKLPN-XUZZJYLKSA-N 477.634 5.040 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)n[nH]1 1816942837 PFACCOVOOFYKMT-FPOVZHCZSA-N 474.527 5.432 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1)C(F)(F)F 1817947913 UTHDKZUKRUGGED-MRXNPFEDSA-N 479.890 5.277 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C)cc2C(F)(F)F)n[nH]1 1818343624 FGLCRCIHQBQIQO-SFHVURJKSA-N 465.520 5.065 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3nc(C)sc23)n[nH]1 1818536150 CBCRDRHIEFDWFM-LAUBAEHRSA-N 463.607 5.402 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5sccc5s4)sc3C2)cc1 1819005881 CIYMUHUTKIVREE-OAHLLOKOSA-N 478.624 5.025 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)[nH]n1 1819308836 FDOVFQOTOYRJRW-XXBNENTESA-N 493.011 5.323 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)[nH]n1 1819553416 GDIWQRRHQMMJLJ-KRWDZBQOSA-N 463.504 5.122 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc(-c4ccccc4)s3)n[nH]2)c1 1819931856 OHEISZSGHLWCNV-NRFANRHFSA-N 482.569 5.025 30 20 JKED COc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)[nH]n2)c(C#N)c1 1820838048 XSYVQLUWNDESCH-XMMPIXPASA-N 491.636 5.131 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c(Cl)c1 1821274351 DXXNMLISASDSFU-FQEVSTJZSA-N 486.334 5.347 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cccnc34)[nH]n2)c(Cl)c1 1821277924 MMHZHZQYLRNGOV-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821566689 MWMDPPFFWDRVRV-MBSDFSHPSA-N 477.996 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](C)Oc2ccccc2)n[nH]1 1821783735 DGBRXKNFIFCIRJ-UGKGYDQZSA-N 452.599 5.252 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@@H](C)Oc3ccccc3)n[nH]2)c1 1821785752 MHWRQVFUHKPXAO-UMEGOILYSA-N 485.588 5.200 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[nH]n1 1822392906 HWMRVEZXADBDDY-HXUWFJFHSA-N 491.419 5.613 30 20 JKED C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n[nH]1 1823135267 HJPBGOINOQYZAK-NRFANRHFSA-N 482.462 5.160 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823215111 MSHWRAPXKITYHN-LLGFUMIMSA-N 493.658 5.585 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(F)CCCC=C2F)n[nH]1)c1ccc(O)cc1 1823588704 DZQMBLOEHOWXOS-QNXIHNPRSA-N 496.558 5.050 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)cc2s1 1823685137 LNDHJYQSFPEHDH-VWLOTQADSA-N 488.657 5.276 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1823812192 LTCNMQKKADSVPU-AREMUKBSSA-N 498.652 5.158 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(-c3cccnc3)n2)CC1 1824141654 YYKMOWWRYXZZKS-DEOSSOPVSA-N 478.662 5.207 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc3ncccc23)CC1 1824473284 AFDBBGKEZQKZET-SANMLTNESA-N 461.650 5.389 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@H](S)C(C)C)CC3)c[nH]2)cc1 1824536138 ZJHAZJAJPLSVEQ-LOSJGSFVSA-N 467.679 5.178 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1824539933 FCTRRLGNOWVQQP-WOJBJXKFSA-N 489.028 5.129 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1824544460 OPPGCQKUIXQQPP-SGNDLWITSA-N 462.675 5.139 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824837195 JZTZEDYLBNXVNM-XXFRDUSWSA-N 474.567 5.532 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1826320162 RJOVWEZXFPKKBG-HHHXNRCGSA-N 466.585 5.049 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827684480 CTGQZNQULKTBSI-ZBLYNMNXSA-N 489.641 5.048 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)oc2ccccc12 1828125608 VWJWHWVCHGBBFM-RUZDIDTESA-N 469.585 5.089 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828129898 KARJSDCHITVZNL-OAQYLSRUSA-N 453.652 5.522 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1828822473 ILRQXTQKEZCZCP-BVAGGSTKSA-N 496.602 5.357 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(Br)c2)CC1 1829171681 MYRGAPXHOCNUNH-FQEVSTJZSA-N 476.459 5.070 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(C)cccc3Cl)CC2)c1 1829676343 DDLFOJMYAYADLS-DEOSSOPVSA-N 480.008 5.076 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cc(C)cc(C)c3)CC2)c1 1829677321 LSLFLIKFIGXYFV-MUUNZHRXSA-N 487.644 5.050 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 1829954917 UDJCQUVDNUFESD-HHHXNRCGSA-N 451.570 5.259 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CC2)CC1 1830448831 CSKQRAFYLSLPBD-UIOOFZCWSA-N 491.582 5.422 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578507 WTTKEHKQQKNOQM-FQEVSTJZSA-N 489.003 5.511 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CCC1 1830735158 ZHDKABHDARQSBJ-LJQANCHMSA-N 466.384 5.060 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1)C(F)(F)F 1831451297 QFEQMULJDZBVSY-QFIPXVFZSA-N 489.513 5.240 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1832028721 YHOBMUDHFXCJHW-QFIPXVFZSA-N 454.611 5.467 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1832034554 PHDJBRPNYUHNOX-QHCPKHFHSA-N 480.546 5.200 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)CC2)c(Cl)c1 1832850985 UPHAQDPEWWHLSD-VWLOTQADSA-N 494.010 5.316 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1838711651 FPVSHHVNLUOBKY-LJQANCHMSA-N 454.636 5.034 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccccc3Oc3cccc4ccccc34)C2)c1 1845547030 ZXKRVRVMKKYROK-UHFFFAOYSA-N 487.559 5.635 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2F)c1 3608901 OUNOWYIMPURKAH-UHFFFAOYSA-N 474.941 5.121 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 9751340 ZRIRQWUYKRDSJT-INIZCTEOSA-N 494.667 5.634 30 20 JKED C=CCn1c(SCc2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccc(Br)cc1 10534412 SPNKWXVOLIBZOV-UHFFFAOYSA-N 487.452 5.390 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 10950174 YNSFTLWMCBKVSI-HSZRJFAPSA-N 492.526 5.926 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158936 KFDTZJCCVMMWQG-UHFFFAOYSA-O 494.414 6.908 30 20 JKED Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)c1 16792738 LXVDNTPAKDOVHT-LJQANCHMSA-N 487.581 5.090 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 18092569 ZGXUESOIWYDWAT-UHFFFAOYSA-N 459.350 5.450 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1[C@H]1COc2ccccc2O1 21088680 ODJIBLSHHUFFCF-OAQYLSRUSA-N 464.591 5.005 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C)c(F)c2)cc1 22732197 HMBPXUNSCBHZRZ-UHFFFAOYSA-O 455.644 6.746 30 20 JKED C=CCn1c(SCC(=O)N2CCCC[C@@H]2C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28626720 UFMMRBZWODGMSD-HNNXBMFYSA-N 471.623 5.252 30 20 JKED CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2C[C@@H]1C 28679404 LHTYBCQMRXADLM-QMHKHESXSA-N 479.989 5.094 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1 28851805 OAOPIUCKXIPJCF-UHFFFAOYSA-N 456.618 5.101 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)c2)c1 32291405 WKJNGRNODPTXTG-UHFFFAOYSA-N 465.484 5.781 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccoc1C 36802883 NQBXSYPOHNGDFN-QHCPKHFHSA-N 458.587 6.121 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1 59367967 OUDRCQZSGSWCGA-UHFFFAOYSA-N 458.499 5.064 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc(-c3ccccc3)nc21 59371628 RTPGQFALKLTOSX-NRFANRHFSA-N 463.566 6.040 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 72088844 JLIGSFMQSWJMIF-OAQYLSRUSA-N 457.500 5.073 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(Oc5ccccc5C#N)cc4)CC3)c2c1C 303001697 MZVAOMGMCDLMAR-UHFFFAOYSA-N 483.597 5.827 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)cc1 481659958 PFOPBHOLLOLMJN-UHFFFAOYSA-N 471.532 5.712 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 483009409 FEGRJVRPGMWBEQ-HSZRJFAPSA-N 462.525 5.209 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4ccccc4)no3)s2)c(C(F)(F)F)c1 487416708 CGFDOMCMOHDKDY-UHFFFAOYSA-N 454.433 5.532 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2cc3cc(Br)cc(Br)c3o2)nc2ccccc21 492630433 QHINUUDZWZDUIV-LBPRGKRZSA-N 473.124 5.335 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C(F)(F)F)c1 499592291 AKHWVNNJZASWJF-OAHLLOKOSA-N 484.565 5.926 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C 501158049 DHDNRZGMMFWQTO-UHFFFAOYSA-N 453.521 5.320 30 20 JKED N#C[C@H](C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)c1nc2ccccc2s1 501291671 UAYXNVQQLQMIBS-OAHLLOKOSA-N 464.348 5.007 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccnc1SCc1cc(C)on1 501769259 YBHJHAUWCOXTCU-UHFFFAOYSA-N 476.371 5.400 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 504803606 AKVZECWSIFPOHX-OAHLLOKOSA-N 453.420 5.235 30 20 JKED CC(C)CCN(CCC#N)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 505182392 RLNDBYFVEQFDLA-SILNSSARSA-N 462.575 5.924 30 20 JKED Cc1nnc(Sc2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c(C)c2)s1 505904602 SXPVKCBQVBIKQK-UHFFFAOYSA-N 472.595 6.009 30 20 JKED C=CCN(C(=O)CCc1nc(-c2cc(Br)cs2)no1)c1nc2c(s1)CCCC2 506009241 ISGINAHQOPJZNY-UHFFFAOYSA-N 479.425 5.048 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)c1 509992036 KHEOZPCLKAAOEE-JOCHJYFZSA-N 484.600 5.365 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)s2)cc1 510212833 YNVICTKOLMHUHF-UHFFFAOYSA-N 487.397 5.447 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 510873053 SVQLHKNKYSPJCX-UHFFFAOYSA-N 455.493 5.024 30 20 JKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)o1 511423848 ZRWZNRGIFYNKIK-UQBPGWFLSA-N 455.558 6.245 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 512318683 BPDQUMWPWPATPV-UHFFFAOYSA-N 488.950 5.952 30 20 JKED C=CCN(C(=O)c1oc2c(C)ccc(C)c2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 512595472 QBPZDHXQJCLJKT-UHFFFAOYSA-N 480.611 5.718 30 20 JKED CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)C3(C#N)CCCCC3)cc2Cl)cc1 512962872 WOYRYMMBWVAFEQ-UHFFFAOYSA-N 494.400 5.062 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 515651471 PTXNTNYGJGABIW-UHFFFAOYSA-N 467.569 6.103 30 20 JKED COc1cccc(C(=O)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)c1 515801408 IKZNQGGYYXBXCX-UHFFFAOYSA-N 490.947 5.002 30 20 JKED COCCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc21 517793511 RLQXJVXOMJIYJV-KRWDZBQOSA-N 470.381 6.208 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 518470565 AYHBAIPVLVDPLS-QFIPXVFZSA-N 454.574 5.751 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(COc4ccc(Cl)cc4)nc3C)n2)cc1 518516574 LAGGFMDQLHGUOY-LJQANCHMSA-N 496.013 6.306 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccccc1SCCC#N 518649079 NHNRUTMWFFEWOJ-UHFFFAOYSA-N 459.402 5.983 30 20 JKED Cc1cc(COc2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2Br)no1 520022472 MNMYKZPAHXJBJE-UHFFFAOYSA-N 482.378 5.495 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(N3CCCCCC3)nc2)cc1OC 520206031 RCKDBYJGLULCOL-UHFFFAOYSA-N 460.416 5.088 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2F)CC1 521147171 QYJVJHNJEYXLKC-UHFFFAOYSA-N 484.531 5.391 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 521747811 AGFVPTICPVOQFS-QGZVFWFLSA-N 451.571 5.564 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 521813092 UYQLOZVXANFJSO-GOSISDBHSA-N 459.571 5.667 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2)cs1 561149786 KNZZPHDUUHIDEO-UHFFFAOYSA-N 477.533 6.307 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(Cc2ccc(F)cc2)n1 588787305 OMFVUGGGFJOGLH-IMRBUKKESA-N 454.411 5.512 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(OCc4ccccn4)c3)cn2)cc1 603689440 MAQIEFUWWOSOSS-UHFFFAOYSA-N 451.486 5.041 30 20 JKED CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 603706142 HIURFMFGRHNKGM-JOCHJYFZSA-N 451.979 5.460 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 604007543 UKNTVTRMXYPZNJ-QHCPKHFHSA-N 497.942 5.782 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2cccs2)cc1 604140773 ZDEBFFVOKDOHSE-SANMLTNESA-N 496.592 5.604 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc(-c3cccs3)nc21 604234742 PBUXTJWEIKCDED-UHFFFAOYSA-N 480.553 6.052 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H](C)c1cc2ccccc2o1 604422797 WCTCQVVIXKGXPB-GOSISDBHSA-N 468.513 5.430 30 20 JKED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)cc1 608888259 FKGNKLPNHIIIQN-NRFANRHFSA-N 491.378 5.024 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(F)c4)C3)cc2Cl)cc1 608995214 CLHHATKJNQHDLA-QHCPKHFHSA-N 451.885 5.748 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCCCc2ccccc2)cc1Cl 609053491 RNLFLHCNXRVOHO-XMMPIXPASA-N 459.977 5.463 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](C)c1oc2ccccc2c1C 609087883 MBUTYUHVLZVIDY-LJQANCHMSA-N 467.525 5.316 30 20 JKED CC(C)(CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1c(Cl)cccc1Cl 609186458 RGTXPZUZRUMTKJ-UHFFFAOYSA-N 487.387 5.423 30 20 JKED CCOc1c(Br)cc(Cl)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609204844 SKCJHIZCWMXQJN-UHFFFAOYSA-N 478.774 5.448 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nnc1-c1ccncc1 611197223 NRUDCFREACQUAZ-UHFFFAOYSA-N 475.622 5.052 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3C)n2)cc1 613318323 YAVOIDILCHBAGQ-XXBNENTESA-N 493.654 5.480 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)cc1 620258772 UJGQHTARDFUBBZ-KRWDZBQOSA-N 452.942 5.170 30 20 JKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N[C@H](c1cc(F)ccc1F)C(F)F 622565987 ARCLCGNGSGOZBZ-QGZVFWFLSA-N 462.390 5.772 30 20 JKED Cc1nc(COc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)no1 642281401 DWCCDLPHTDFTHM-QGZVFWFLSA-N 485.352 5.877 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NCC(F)(F)F)[n+]2ccc(C(C)(C)C)cc2)C=C1 725760444 OUOMBNXWQYKSDY-UHFFFAOYSA-O 480.576 5.041 30 20 JKED CC(=O)Nc1ccc(-c2csc(=Nc3ccc(C#N)c(Cl)c3)n2[C@H](C)CN2CCCC2=O)cc1 726391766 UQMFVTIIDZSRPK-MRXNPFEDSA-N 494.020 5.116 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\[C@H](C)c1cccs1 726422904 YHBRPMLSUYZFTK-DSFQMKKESA-N 480.055 5.216 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(Cl)nc2)cc1 727159268 FGIRWQQGRITNDA-UHFFFAOYSA-O 468.002 5.061 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)O[C@H](C)c1cccc(C#N)c1 727639839 TUKHWFKBDUZXGL-HZPDHXFCSA-N 475.595 5.862 30 20 JKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)N1CCOC1=O)c1nc2cc(C(F)(F)F)ccc2s1 728411748 KTWIEURPHMQKAT-RDJZCZTQSA-N 459.449 5.075 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(CC3CC3)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697658 VCEJKZPOZRCOFR-CUQOAYDUSA-N 467.569 5.030 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@H](c2ccccc2)C2CCC2)C1=O 729143813 RDRMPCJTBQAKMU-TZIWHRDSSA-N 459.974 5.088 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@@H]2CCCO2)c1 730530534 GCFATBBPUFCGIQ-JTHBVZDNSA-N 465.619 5.005 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944225 UCGLJAJSQRSFJV-FDDCHVKYSA-N 458.587 5.366 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4ccccc4SCCC#N)cc3)ccc12 730981976 GANUUYUQXFUZPA-UHFFFAOYSA-N 470.550 5.939 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(COc2ccc(F)cc2)n1 730996757 ZJHPANPUGJHXME-UHFFFAOYSA-N 481.496 6.138 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 731080155 IWCWEPRPZBSJND-KBMXLJTQSA-N 463.386 5.531 30 20 JKED C=CCN(CCc1ccccc1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1=S 744153882 OOLXHERFFYPAIM-JOCHJYFZSA-N 473.646 5.430 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(OC)c(OC(F)F)c1)C(=O)c1ccccc1 747150623 RPHSSIYCZWDVSM-CJLVFECKSA-N 479.523 6.326 30 20 JKED Cc1c(N=Cc2cc(Br)cc(Br)c2O)cccc1C(=O)N1CCSCC1 748585141 CEMPTDASHRTPAN-UHFFFAOYSA-N 498.240 5.165 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)nc(C(C)C)n2)c1 748633512 OSZIZJULXWNOOB-UHFFFAOYSA-N 485.009 5.195 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 750703838 CUFGWAZQSUJNTA-UHFFFAOYSA-N 480.565 5.128 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2c(C)cccc2C)cn1 837286768 ZXPZPALXLFMVBQ-NRFANRHFSA-N 492.576 5.007 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)cc1Cl 837535384 DKEWXKLZPIGSLV-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3ccccn3)C2=O)c1 838239614 UOBCMJDXSRUKJV-HXOBKFHXSA-N 492.576 5.259 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913118225 OXKKQRZHOUFQSK-FQEVSTJZSA-N 472.998 5.059 30 20 JKED COc1ccc2c(C)c(CCC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)c(=O)oc2c1 914520996 SQENNMGTEBFNAL-UHFFFAOYSA-N 484.527 5.595 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 914694756 UHVOMQONFDFQAY-QKKBWIMNSA-N 487.503 5.288 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1)C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103296 SDEQKDKCLISTJS-TWSBKSAYSA-N 493.698 5.339 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)cn2)c1 915174687 AIDJVHZYZZESMC-UHFFFAOYSA-N 454.100 6.006 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccccc1C#N)c1ccc2c(c1)OCCO2 915997633 RDDQLEWVNPITBF-UHFFFAOYSA-N 457.555 5.298 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(Br)cc2Br)ccc1OCC#N 916140329 MRBLOPYVOVYVLW-KXFIGUGUSA-N 451.114 5.019 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)cc2)C1=O)Nc1ccccc1F 916204831 DYKQGNURHWLXRF-NRFANRHFSA-N 469.488 5.264 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2cccc(C)c2)c1 916207076 UIRVJBRWQYFPFW-XMMPIXPASA-N 489.597 5.173 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccccn3)C2=O)cc1 916208063 SGXZKCMRZZHAEC-XMMPIXPASA-N 488.613 5.258 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccco2)cc1 916214249 LTYJIICVULGSTR-QHCPKHFHSA-N 493.585 5.238 30 20 JKED FC(F)(F)c1cnc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c(Cl)c1 916286384 ABKNJWBSAWXENV-UHFFFAOYSA-N 456.859 5.507 30 20 JKED CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc2c(c1)Nc1ccccc1S2 916358852 VQFMBCQSYRRUDJ-UHFFFAOYSA-N 479.631 5.301 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C2CCC(C#N)(c3ccccc3)CC2)nc1 916607469 BHPOTGHZOQRFLU-UHFFFAOYSA-N 473.602 5.100 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1 916899550 JIZWWRAOGHLINV-QTGUNEKASA-N 459.590 5.025 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916971870 FOSNNEKKKOXZQW-IBGZPJMESA-N 459.600 5.230 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@H](Sc1ccccc1)c1ccccc1 917507516 YWGNBOIDCUJPOL-NBGIEHNGSA-N 460.555 5.233 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)cs1 917559491 JTDRIOQFBZETSQ-GXDHUFHOSA-N 458.970 6.629 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc(OC)c1OC 917562289 ZFPYVJSMAQZCIY-DHZHZOJOSA-N 452.532 5.058 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2ccsc2)C1=O 917659117 WTAFFPKZKLOTOT-OAQYLSRUSA-N 479.627 5.534 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2C#N)cc1 917702259 DOTYYTOOKZWMBM-QHCPKHFHSA-N 490.535 5.305 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(C)n3)C2=O)c1 917703954 SJHUYJHGGQIIQV-DEOSSOPVSA-N 483.597 5.039 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1C#N 917704464 VRXWHKUSAKRVNT-QGZVFWFLSA-N 481.792 5.499 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 919713512 FEORYZVNOIPBDX-QFIPXVFZSA-N 486.369 6.331 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3COc3ccc(C(C)(C)C)cc3)cs2)cc1 920364702 CBRCZPWBOPRJKJ-UHFFFAOYSA-N 493.658 5.669 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)CCc5ccc(C#N)cc5)cc4)CCC3)[nH]c2c1 1785796016 OKGSCIQCAWKGAT-UHFFFAOYSA-N 492.579 5.429 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CC[C@]3(F)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786282464 JYLNHICMCXUPCO-HHHXNRCGSA-N 499.627 5.053 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3Cl)CCC2)cc1 1786367069 XYJUCXZTFZOARX-UHFFFAOYSA-N 462.377 5.119 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)cc2)CCC1 1786564192 NVHVEPWWRODDNY-NRFANRHFSA-N 469.626 5.122 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(F)(F)F)cc2)CCC1 1787351157 LJUIIGSGXXFZBA-IBGZPJMESA-N 457.496 5.617 30 20 JKED Cc1cccc(-c2cnccc2C(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)c1 1788029271 BYIVOYROKKOBQL-UHFFFAOYSA-N 495.627 5.087 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4Cl)cc3)CCC2)cc1 1788481063 LZLJDZOJEIZHCW-UHFFFAOYSA-N 469.932 5.101 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cscc3C)cc2)CCC1 1788747645 WMDRIVNJLVSHLX-DNOBIOAJSA-N 495.645 5.274 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)cc1 1788787706 JIORCIZBFJFFOU-UHFFFAOYSA-N 478.474 5.228 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)cc2)CCC1 1789219181 VFEMRMZNGVMYMQ-QHCPKHFHSA-N 493.611 5.846 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccc(F)cn34)CCC2)cc1 1789457902 FAXJWYGMQFMNIE-QFIPXVFZSA-N 460.553 5.298 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ncccc3F)CCC2)cc1 1789508027 CMRDPVDBVWXHRV-UHFFFAOYSA-N 451.618 5.020 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)CS[C@@H]3CCCCO3)CCC2)cc1 1789508085 JXHKWDDFDAAVJZ-RUZDIDTESA-N 486.754 5.431 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789573922 IJIXDXYFTMHEDA-IPISDEMTSA-N 461.587 5.013 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1789577945 YMEJHVLWKIPEPP-RWPZCVJISA-N 474.948 5.281 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1 1790187899 LOJMQKIBDOIROW-QGZVFWFLSA-N 498.580 5.175 30 20 JKED CC(C)(C)OC(=O)n1cc(CC(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)c2ccccc21 1790516906 ONIAOXBOMNPKFD-UHFFFAOYSA-N 486.572 5.015 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc(Br)ccc4s2)C3)cc1 1799666388 USTBVHCUPDIBLU-ACDBMABISA-N 494.414 5.101 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1)C(F)(F)F 1800279710 RWKUAFLEVXSTDZ-CIAFKFPVSA-N 478.461 5.255 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1c[nH]c2ccc(F)cc12)c1ccccc1 1802090814 MTCCPHCTAYPNLH-QYOOZWMWSA-N 485.603 5.075 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1802500552 AKXMYORABMIVLV-CUNXSJBXSA-N 490.623 5.333 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1810499244 WQZZVAXKAGHKOP-FXAWDEMLSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1810500073 LFXYMEPYQRPBIV-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810501196 AMWHQKMIUAASFL-NFBKMPQASA-N 498.549 5.284 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c(Cl)c1 1811748904 FLXSCFNOFQIJCT-NVQXNPDNSA-N 499.014 5.048 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)[C@H]2c2cccnc2)c1 1811924766 QBKBXBUIGPAMPE-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1811998549 QTHSQKSQKJDKQO-NTKDMRAZSA-N 472.416 5.210 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812515045 UKKHHYRMFIHYCY-WSEBHVOGSA-N 494.079 5.949 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812515673 DKSVDTZVIMSXKN-REIDKSKDSA-N 474.432 5.239 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812515685 DQKJOIRDMVIBOU-RLWLMLJZSA-N 486.443 5.221 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)Sc2ccccc2)n[nH]1 1815093671 YOZAVYJKXUZYNL-UZKOGDIHSA-N 452.624 5.351 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[nH]n1 1815249587 ZLYACRCBBGWOGE-OHEPNIRZSA-N 496.599 5.265 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCCCC3(F)F)n[nH]2)c1Cl 1815352277 LIXAVHODHHFZLR-FUHWJXTLSA-N 475.927 5.066 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815586860 VPQPHFJVPHFKQI-UKILVPOCSA-N 491.680 5.306 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)nc2F)n[nH]1 1816048598 RKPDGAVAWJMVNS-INIZCTEOSA-N 492.393 5.005 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@H](C)c3ccccc3)[nH]n2)c(O)n1 1816242067 XOSAOGFJWQIPGO-CYFREDJKSA-N 487.604 5.129 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)[nH]n1 1819310200 UAQWLDNOMSGICB-QIGHUWCUSA-N 477.653 5.253 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819385549 XIIYRMQHIIMCAG-IFMALSPDSA-N 454.691 5.221 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(O)c2)[nH]n1 1819555896 INXHODJPYUQZEF-SFHVURJKSA-N 489.414 5.176 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)[nH]n2)c1Cl 1820219032 IZPALNSKVDVWBQ-FQEVSTJZSA-N 472.936 5.036 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)cc1 1820549609 NBDQNUAFUQMAEW-FQEVSTJZSA-N 473.533 5.255 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1821987328 OPFWEFIDVXJCBP-OAQYLSRUSA-N 480.515 5.719 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822313627 XYYQAOKCZDFLBS-GOSISDBHSA-N 485.610 5.095 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cn(C)cc3C(F)(F)F)[nH]n2)c1 1823212206 MCSGZXORUGAPRP-BTYIYWSLSA-N 498.509 5.014 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1823214716 IMSONLJNOLLBRN-SIBVEZHUSA-N 477.568 5.810 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@]3(C)CC=CCC3)[nH]n2)cc1C#N 1823294362 MLWSZRYZLSYKTN-CUNXSJBXSA-N 475.593 5.121 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823310953 MMDVDMUDDYFTCO-INIZCTEOSA-N 453.757 5.089 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1823711451 CUISOHDRNFTAKZ-WNJJXGMVSA-N 494.701 5.240 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@](C)(OC)c3cccc4ccccc34)CC2)C1 1823711474 DDNKETGQOBYYCI-OFSOJUDTSA-N 474.645 5.287 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)n2C)CC1 1823751889 BZJCJHQCXXIODL-IBGZPJMESA-N 467.576 5.270 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c1 1824053397 WJJSQDIQIGAGKJ-JOCHJYFZSA-N 470.038 5.139 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824224648 SXYCIZIAVWVJBV-IVZQSRNASA-N 494.642 5.065 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2OC)CC1 1824317095 OEIXEWCVHYMABL-XMMPIXPASA-N 454.655 5.240 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1824326485 PVBFLYIQGXWWKV-XWGVYQGASA-N 491.717 5.148 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824957431 YFVSSYRWVTVHEU-HSZRJFAPSA-N 470.560 5.050 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)s3)CC2)cc1C#N 1825352756 KXCRQJMXAUFXKK-OAQYLSRUSA-N 483.609 5.093 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)CC1 1826641025 YMSWIHCKKZSQNS-VWLOTQADSA-N 484.681 5.249 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ncccc34)CC2)c1 1828031039 BOSWYJKSJWMUDD-LYZGTLIUSA-N 480.612 5.409 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 1828826539 GVYPOAQKFWGHPW-IEBWSBKVSA-N 469.573 5.164 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829454120 GHDLUNMXWNGMRO-GOSISDBHSA-N 455.451 5.482 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2SCc2ccccc2)CC1 1829492076 ZTUXLPKJCGQAKH-XMMPIXPASA-N 490.673 5.157 30 20 JKED Cc1c(F)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685427 GEANMGZITJLPOF-HSZRJFAPSA-N 467.972 5.206 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830013131 SKMAHXLIXSWZLT-NDEPHWFRSA-N 492.623 5.476 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)cc1 1830631120 ZDJKJGLLGRWWRO-RUZDIDTESA-N 497.561 5.247 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)s1 1830633875 WRUUPZOIDKVBOI-DEOSSOPVSA-N 492.689 5.489 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1830771030 NCPYBHKDRFEEHH-QFIPXVFZSA-N 485.415 5.116 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2n1 1832630772 MNPUCMYMKQPAGR-DFBJGRDBSA-N 484.600 5.310 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)cc1C#N 1832704698 PHMWZDUUFUZOHI-RUZDIDTESA-N 477.649 5.159 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1832737576 JGYJYZKNAPTKTM-DHLKQENFSA-N 486.056 5.300 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(CC)cc2)c1C 10169096 VGLHACRWBMIOCZ-UHFFFAOYSA-O 478.638 5.326 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173343 AUGVYKQWLHWOGL-UHFFFAOYSA-O 471.671 6.603 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174104 OLWOJAHLBNWHRK-UHFFFAOYSA-O 485.960 6.201 30 20 JKED C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 11023525 DTGHVPXBYLWTQX-KRWDZBQOSA-N 473.989 5.502 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)nnc1-c1ccccc1 11056024 AGKVWNXVOCEINO-UHFFFAOYSA-N 450.898 5.117 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2ncc(-c3ccc(Br)cc3)n2CC(C)C)n1 17153241 IJTXARYFIAKQFU-QGZVFWFLSA-N 489.464 5.702 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1cccc(C)c1 22010914 JVHTVZAXGUFZFX-RUZDIDTESA-N 484.625 6.310 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCC(=O)Nc1ccccc1-c1ccccc1 24345152 FMVWBJMATLPHBN-UHFFFAOYSA-N 479.565 5.186 30 20 JKED O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 25826186 SIQHQYKAJKZNJL-UHFFFAOYSA-N 475.364 5.039 30 20 JKED O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)c2cc(Br)ccc21 26503301 SORIZGVZDRZXHJ-QDEBKDIKSA-N 486.941 5.142 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1c(C(C)=O)oc2ccccc12 32785965 PDFJVXVPJRWNQQ-KRWDZBQOSA-N 460.559 5.123 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1 107877449 DJSSSEVJIYWMGZ-QHCPKHFHSA-N 486.959 6.015 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nc2scc(-c3ccccc3)c2c1=O 248022897 VEBXYFMVMAUIQP-INIZCTEOSA-N 479.631 5.208 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccccn2)C1=O)Nc1ccccc1 254399759 CJYVKXYFHUGPRB-FQEVSTJZSA-N 498.580 5.557 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 302954846 FKGONBIHUBVBBO-UHFFFAOYSA-N 456.477 5.810 30 20 JKED CN(Cc1csc(Br)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481565955 DOVQQMNYKISTKD-UHFFFAOYSA-N 474.355 5.764 30 20 JKED COc1ccc(C#N)cc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 493236132 ZGTVLWPZVHOZOP-UHFFFAOYSA-N 487.357 5.363 30 20 JKED C=CCOc1ccccc1CN(C(=O)Cc1csc(-c2ccccn2)n1)c1ccc2c(c1)OCO2 500346673 VRDCKQJDQMDKBO-UHFFFAOYSA-N 485.565 5.275 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 500544574 MITZNCRGOVSTDV-RUZDIDTESA-N 453.586 5.248 30 20 JKED COc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(Br)c1OC 502058718 ZMYNSWNXPTZYPQ-UHFFFAOYSA-N 497.414 5.560 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3occc3COc3cccc(C#N)c3)s2)cc1 502574605 KGIGGLUDEFGUCY-QGZVFWFLSA-N 457.555 5.962 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 506501267 VHUPBCKZVWUVHW-UHFFFAOYSA-N 469.585 5.437 30 20 JKED Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2nc3ccccc3s2)c(C)c1 508567666 IPEIZHGVOSXJHR-UHFFFAOYSA-N 489.622 5.969 30 20 JKED Cc1cccc(N2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)c1C 509850886 GRYAWTZGZWOLES-UHFFFAOYSA-N 454.574 5.303 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 509981637 IFSKERNLWLFNCG-FQEVSTJZSA-N 496.032 5.357 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 510005447 MZMSJQIRCZRZSF-ILBGXUMGSA-N 475.976 6.382 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)oc12 510246537 SMBCIQOUWQWEEY-CQSZACIVSA-N 479.587 5.730 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 510653093 ZDKSKHCUYKPUOA-UHFFFAOYSA-N 494.473 5.359 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511585187 KBMICXVWCYPZQU-UHFFFAOYSA-N 460.553 5.066 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(C)CCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 513466729 JXRPUMQTIODFJJ-SFHVURJKSA-N 470.602 5.033 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)cs1 513681855 KTSWWEDUIPVMEJ-SFHVURJKSA-N 492.651 5.823 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2)cc1 514040818 FXMWGQDSRRCQKU-UHFFFAOYSA-N 487.606 5.140 30 20 JKED Cc1ccc(-c2cc(-c3nnc(S[C@@H](C)C(=O)N(C)CCC#N)o3)c3ccccc3n2)cc1 514745507 NWJIMNSNNBCRAG-KRWDZBQOSA-N 457.559 5.113 30 20 JKED CCCn1c(C)c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2cc(OC)ccc21 514868306 YJUZSIJVWRJIJW-UHFFFAOYSA-N 477.615 5.636 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1-c1ccncc1 515599551 FCJXNOJPGIKSQN-UHFFFAOYSA-N 462.604 5.268 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2C(C)C)cc1 515675111 WMZQZGDAEIXPLP-UHFFFAOYSA-N 463.541 5.680 30 20 JKED C[C@@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 515761070 FCVOUFPZNABOLS-QGZVFWFLSA-N 458.587 5.580 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1Cl 515962556 QWNRVFKDSBFYRZ-NFBKMPQASA-N 494.016 5.203 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 517288490 QJGPYVVSFGPBPA-HNNXBMFYSA-N 460.921 5.771 30 20 JKED Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 517300754 XOMWTRPACYFCMG-UHFFFAOYSA-N 466.541 5.565 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)nnc1-c1ccc(Cl)cc1 517426535 YQCNKMQTIOSCQV-NRFANRHFSA-N 481.025 5.266 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c12 517491920 GASRNIGOBUEAPJ-LJQANCHMSA-N 450.329 5.245 30 20 JKED C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 517769328 GWDIHDCDBKMXIO-OYRHEFFESA-N 499.636 5.030 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)cc2)c1 518252644 WZCUUMULYMOKCT-UHFFFAOYSA-N 479.458 5.499 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 518739298 XMYZGYZZKZMMDN-INIZCTEOSA-N 486.435 5.334 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 518795414 PUVSDPFURBAUCP-UHFFFAOYSA-N 484.600 6.085 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 520502469 ATSFBJPFTAWLFG-UHFFFAOYSA-N 479.001 5.098 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3ccc(-c4ccc5c(c4)CCCO5)cc3)CC2)c1 523362104 TWVAPIYHELSQFD-UHFFFAOYSA-N 494.595 5.111 30 20 JKED C=CCn1c(SCC(=O)N(C)c2cccc(SC)c2)nnc1-c1ccc(Cl)cc1Cl 523560674 ZHLBYWNZLCHAQV-UHFFFAOYSA-N 479.458 5.915 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2ccc(Br)cc2)cc1 557838744 JYFJADRZMNBPLS-UHFFFAOYSA-N 480.362 5.295 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1C 570351728 HOFNUCNYWKIIOM-UHFFFAOYSA-N 455.543 5.279 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 591711756 AFDRMKMGFZMEAM-UHFFFAOYSA-N 458.612 5.161 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603691257 KKFOOGXWQOSWLW-UHFFFAOYSA-N 470.316 5.155 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2)c1 603831292 PFSXMKKEENAPFO-FQEVSTJZSA-N 465.513 5.363 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 603838857 OZQJFHWUDLKHAG-AWEZNQCLSA-N 492.340 5.922 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 604241858 RNLRTGKCJBMONN-UHFFFAOYSA-N 498.564 5.416 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)c2)c1 604468231 JPOLAAXAUSDEDW-LJQANCHMSA-N 473.964 5.112 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1 604562207 PDBGNSITFSGZTG-UHFFFAOYSA-N 476.577 5.052 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 608796781 AUUWUGLODJAYKE-NFBKMPQASA-N 479.458 5.289 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 609078531 WRBAEWDQLDKOQZ-QHCPKHFHSA-N 468.557 5.328 30 20 JKED CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609090138 ZSLHMEVWXLXDIE-XMMPIXPASA-N 471.557 5.050 30 20 JKED Cc1ccc(-c2noc([C@H](C)Nc3cc(C(F)(F)F)ccc3SCCC#N)n2)cc1F 609387039 HHXIFQYQNYRWBB-ZDUSSCGKSA-N 450.461 6.382 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccc(C(N)=O)cc2)n1 609389200 BNIFIMHTAVBUKY-OAHLLOKOSA-N 482.656 5.175 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 609400142 MRVZVPVTHFNDCK-HXUWFJFHSA-N 495.608 5.046 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618538877 DNVZFFNTKSOBGM-NXEZZACHSA-N 476.261 6.319 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 623256060 LZKPYDSFLVDMGY-IUCAKERBSA-N 492.317 5.065 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1 725884813 QNXWFAXXHHLALX-SVBPBHIXSA-N 475.548 5.444 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@@H](C)c2cccnc2)cn1 726109581 CPPHWXKZKZJZGO-MHECFPHRSA-N 498.612 5.173 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cnn(CC)c1 726117161 SMHKBCVOAUUYNW-SFHVURJKSA-N 481.544 5.072 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1 727996173 GOQGXXDQBRVTHD-AREMUKBSSA-N 453.542 5.079 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1=S 728284639 GVGAQTFBCHRMNC-UHFFFAOYSA-N 463.607 5.183 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2cccc(Cl)c2)n1 728423985 ZNMXQDXUZAEBJB-QFIPXVFZSA-N 489.988 5.076 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 728777171 ZWRGFITYBLTPJI-IBGZPJMESA-N 493.391 5.787 30 20 JKED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 729320134 WPRIVYWSOYZSSY-FPOVZHCZSA-N 474.026 5.580 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 729552838 MSIAKBDPRPYWPM-DMTNHVFBSA-N 488.632 5.985 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cccc(C)c2)cc1 729668393 ITLMIENPSZQVFD-UHFFFAOYSA-O 465.595 5.617 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCC1)c1cccs1 730461470 CSBOBUCHAJSCBS-HSJILXEDSA-N 493.010 5.252 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2Cc2cocn2)cc1 730717470 NETOGBJEJFMYHS-IBGZPJMESA-N 489.384 5.450 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1cccc(O)c1 731305849 HBOMRSXXAYVFJF-HSZRJFAPSA-N 488.544 5.173 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 746698027 SDYNFNJAVABFOW-QFIPXVFZSA-N 488.053 5.734 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc(Br)cc3)o2)ccc1S(C)(=O)=O 747061022 AVKDJKABYPHBCR-NTMALXAHSA-N 461.333 5.017 30 20 JKED COc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)cc1OCCCC#N 747361207 HDLNXSMDHXQGFW-WJDWOHSUSA-N 484.002 6.553 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)cc1OCCCC#N 747472857 GQWQRGQNTBKRRM-UYRXBGFRSA-N 492.594 6.098 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c1C 747599542 KGFOZUWNMAALRL-HXUWFJFHSA-N 468.579 5.060 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)cs2)cc1 749316459 NQNUDGRSDYVVSZ-CQSZACIVSA-N 469.950 5.306 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCc3c(Br)cccc3C2)c1=S 749674892 GDROUVNFGOJDBZ-UHFFFAOYSA-N 471.424 5.054 30 20 JKED CC(C)CN(CCC#N)C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 751199842 ALCGSOOCPQMNMC-INIZCTEOSA-N 454.621 5.084 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1Cl 799217850 RQZSEQJINMFXJR-CQSZACIVSA-N 476.307 5.516 30 20 JKED COc1cc(/C=C\C(=O)c2ccc3c(c2)CCO3)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 834875010 RPCSUKMFQIAZOE-TWGQIWQCSA-N 497.469 5.563 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)cc1 837522759 WMLDCDWCKUIKIC-HXOBKFHXSA-N 472.570 5.006 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccs2)C1=O 838535826 UDBWGZDVGUJBAR-HXUWFJFHSA-N 487.553 5.195 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 838545867 KJMJCBMWPOZTTF-SZNDQCEHSA-N 484.503 5.220 30 20 JKED N#Cc1ccccc1COc1cccc(-c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)c1 856578487 OZMOFSBCBNACKE-JOCHJYFZSA-N 456.546 5.083 30 20 JKED N#Cc1ccccc1COc1cccc(-c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)c1 856578488 OZMOFSBCBNACKE-QFIPXVFZSA-N 456.546 5.083 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)C1CCN(C(=O)C(C)C)CC1 892300259 FOEIOYWAECCMIA-QHCPKHFHSA-N 494.617 5.102 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 914694757 UHVOMQONFDFQAY-SPLOXXLWSA-N 487.503 5.288 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(Cc2cccc(Br)c2)C2CC2)c1=S 914783489 IKIANRQFZSUJKH-UHFFFAOYSA-N 490.515 5.013 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 915085316 AGGOCBAOHWOGJW-MUUNZHRXSA-N 495.604 5.810 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 915087000 OTGACQNPKUJVAS-HHHXNRCGSA-N 471.516 5.391 30 20 JKED CCCCCCn1nc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2ccccc2c1=O 915174906 GRHOQILDWNPAMG-UHFFFAOYSA-N 467.529 5.288 30 20 JKED Cc1nc(SCC(=O)O[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c(C#N)c(C)c1C 915378008 PJPCELYUEPYGKB-FQEVSTJZSA-N 479.524 5.196 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OCc2cccnc2)cc1 915772763 QJKRGCWUXZSWMF-KMRXNPHXSA-N 490.563 5.132 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1 915787915 NDGXNQFVGMVTBO-ZCYQVOJMSA-N 485.996 5.901 30 20 JKED Cc1sc2ncn(N=Cc3cn(-c4ccccc4)nc3-c3cccc(Cl)c3)c(=O)c2c1C 916310734 GTJMEXFOOGCZLN-UHFFFAOYSA-N 459.962 5.463 30 20 JKED COc1ccc(/C=C2\N=C(SCC(=O)[C@@H](C#N)c3ccccc3)N(c3cc(C)cc(C)c3)C2=O)cc1 916622817 MYARUDOZNXKXSK-QCOJXGBLSA-N 495.604 5.665 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 916911557 GVDIYZXLXISJKR-FQEVSTJZSA-N 462.962 5.572 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 916913744 RNIHUYMBYOHSEF-GOSISDBHSA-N 457.477 5.661 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 916914883 XIPOLAUPNSFPGG-OAQYLSRUSA-N 469.545 5.576 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1OC 916947328 HLXOWHFLCWHROP-KBXCAEBGSA-N 473.367 5.331 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)cc1 916974199 GNDCJTBHVPDJRW-LPHOPBHVSA-N 480.387 5.110 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997528 VOGBEZZCKGVMQN-QGZVFWFLSA-N 470.406 6.659 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(Cl)ccc2Cl)cc1 917612762 GYSJMZMDILRHIR-UHFFFAOYSA-O 483.444 6.773 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c1 917671442 ZCEKTEXEOXDXIP-DEOSSOPVSA-N 486.572 5.475 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccc(Cl)s1 917699586 KTAVTZNEOIMICH-HXUWFJFHSA-N 495.029 5.111 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)cn2)cc1 918586834 LSZVTSHCNFZCQE-RUZDIDTESA-N 461.477 5.452 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(CN3CCCCC3=O)cc2)cc1 918631081 LOEOZLOSQLBDPI-UHFFFAOYSA-N 455.533 5.052 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Cl)c3cccnc23)n(Cc2ccccc2)c1C 919259312 RYKIGWLRIVVHAM-UHFFFAOYSA-N 472.932 5.022 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c(OC)c1 920103286 TUJYOYCAORTCPE-NRFANRHFSA-N 464.525 5.537 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)C2)c1 920140228 AAYREKOXGRBEBT-UNMCSNQZSA-N 469.570 5.111 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nccn3-c3cc(C)cc(C)c3)n2)cc1 920142100 KAUGBJGPKXVNOF-OAQYLSRUSA-N 474.611 5.590 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1ccccc1Br 920266991 CUACIWAOADXLSO-GOSISDBHSA-N 477.387 5.865 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc(-c2ccncc2)cs1 920269444 VXZWJJNKXILVRJ-KRWDZBQOSA-N 470.501 5.766 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cc3ccccc3s2)C1=O 920478814 LYPHMJYFRGPVFR-GOSISDBHSA-N 477.533 5.188 30 20 JKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O 920943405 XQNBOPYBSAYUEX-UHFFFAOYSA-N 483.908 5.754 30 20 JKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)c2ccc(NC(=O)c3ccc(O)nc3)cc2)c1 1342606847 OMSFMSBWIVLGIA-UHFFFAOYSA-N 494.503 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/Sc2ccc(C)cc2)C1 1779328089 POAHHAWQUSLWCG-YOUKMRLMSA-N 470.679 5.107 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)[C@@H]5C[C@H]5c5ccc(F)cc5)cc4)CCC3)c2c1 1786031921 QRNKOIOBJCBLCI-XZOQPEGZSA-N 493.542 5.125 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)sc1C 1786042346 AWNLNXTXMFJUAW-UHFFFAOYSA-N 458.587 5.012 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(O)nn4)cc3)CCC2)cc1 1786103508 XYOIIWIZEUNVAJ-UHFFFAOYSA-N 482.584 5.365 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3C(F)(F)F)CCC2)cc1 1786369643 XFDJEHTYGQKLEF-MRXNPFEDSA-N 478.486 5.112 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1786391237 JQONMXZSUWVIJP-FQEVSTJZSA-N 474.051 5.652 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CCc3cccc(C)n3)cc2)CCC1)c1ccc(O)cc1 1786737737 MDNOGLIEXALIBY-XMMPIXPASA-N 495.623 5.360 30 20 JKED Cc1cc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)ccn1 1786741860 OWOGJSQZSAZTTI-UHFFFAOYSA-N 496.611 5.429 30 20 JKED C#CC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccccc3Cl)cc2)CCC1 1788613323 VTFLTPOYNWODBV-JOCHJYFZSA-N 496.007 5.063 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5c(Cl)cccc5n4)cc3)CCC2)c1 1788940365 QUIOOAHUACQODH-GOSISDBHSA-N 497.986 5.676 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789198786 CAGKMXIQSJIIHX-FGZHOGPDSA-N 497.680 5.760 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H]3C)cc2)CCC1 1789213887 LROGREOCVHGPPB-BVYCBKJFSA-N 469.626 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)[S@@](=O)c3ccccc3)CCC2)cc1 1789458242 ROKFPQIPDUHJCZ-IFJBACLGSA-N 464.631 5.085 30 20 JKED Cc1cc(C(N)=O)cc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1789512623 NAHWMRWDORCPPY-HXUWFJFHSA-N 494.595 5.091 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)cc2)CCC1 1790591289 MKTRZTAUQLRUJY-SANMLTNESA-N 473.523 5.936 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3c(F)cc(Cl)cc3Cl)cc2)CCC1 1790720867 PXHBHXAHFMXTGZ-UHFFFAOYSA-N 493.362 5.390 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5[nH]ncc45)CCC3)cc2)c(Cl)c1 1790767329 ZNDSZDDMZZBINM-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1791581923 IOABDWQHRODNHC-UHFFFAOYSA-N 452.982 5.437 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CN(CC)CC)CCC2)cc1)c1ccc(O)cc1 1791646143 FPFVJLWILYMPCD-LADGPHEKSA-N 489.660 5.001 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C(=O)N(C)C)c4)CCC3)cc2)c1 1792123844 DDNJRZPAPQXXOH-FQEVSTJZSA-N 494.595 5.077 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)cnc3s1)C2 1798338021 NNTGWJMBYXCTOH-RDGPPVDQSA-N 488.451 5.079 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1cccc3ccccc13)C2)c1ccccc1 1798552985 FIZYELUCZINQGD-RVUATISTSA-N 480.608 5.054 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Sc1cccs1)C2)c1ccccc1 1798554751 WZPOOFCBODIVHM-IFPLKCGESA-N 466.672 5.064 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCC3CC3)c(F)c1)C2)c1ccccc1 1798559549 MMQCOSHZTBOYDX-QYOOZWMWSA-N 488.603 5.064 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/Sc1ccc(C)cc1)C2)c1ccc(O)cc1 1802419428 FQHHWQYIAQQORK-KVEDXCIUSA-N 488.653 5.142 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)C3)c1 1803678470 BWJDVRJKANRUQK-HNCNJFBMSA-N 497.517 5.177 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CC2)C1 1805048176 BQWFDAOIPQDFFT-DEOSSOPVSA-N 479.571 5.279 30 20 JKED C#CCCCC(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1 1805938432 WURADPVFGRCZEU-UHFFFAOYSA-N 462.556 5.063 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)oc2ccccc12 1809159855 WGSRGNLKQORZHD-CUNXSJBXSA-N 497.982 5.161 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1810172022 HQEOSXNSNFIPLL-ZVDOUQERSA-N 475.511 5.090 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(OC(C)(C)C)cc3)[C@H]2c2cccnc2)c1 1811235537 DPDNEVUDCRNMOR-SHQCIBLASA-N 496.611 5.072 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811429258 KYRDGBPUPGNINV-HYBUGGRVSA-N 480.008 5.793 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)[C@@H]2c2cccnc2)c1 1811793119 NLBQDXRWXRWXIW-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1811859241 UTNDACJNPLAFAL-LSYYVWMOSA-N 486.660 5.160 30 20 JKED Cc1cc(F)c(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1F 1813854228 DMXQRKOYHDVROG-HFZDXXHNSA-N 497.662 5.039 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCCCNC(=O)OC(C)(C)C)n[nH]1 1814796581 UCQCMPSRIANJDV-OAQYLSRUSA-N 489.661 5.233 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cccc4ncccc34)n[nH]2)c(Cl)c1 1815181987 KELLNNYNEKDXIF-XMMPIXPASA-N 498.974 5.032 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1815248845 KVXFAQDZPZMMAT-YKSBVNFPSA-N 491.617 5.411 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815586844 IBZTYXIYBKFTIN-GSLIJJQTSA-N 489.664 5.082 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817756459 ZHNJAJABCRIGNQ-SFHVURJKSA-N 489.910 5.235 30 20 JKED CC(C)=NO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4c(Cl)cccc4s3)sc2C1 1818574453 GPTAYLLTQDAPGU-CHWSQXEVSA-N 491.038 5.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818604954 IGRLJEMQJFETMN-VGSWGCGISA-N 477.996 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3[nH]2)n[nH]1 1818988194 STWGXYVGAYOAQO-ZHRRBRCNSA-N 467.520 5.244 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(F)(F)F)ccn2)n[nH]1 1819858575 KFOZKNTZTCMDSA-GOSISDBHSA-N 463.504 5.122 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1cc(F)ccc1OC(F)(F)F 1820205351 QBCYPUFCBHHIOS-AWEZNQCLSA-N 496.383 5.096 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 1820506688 KPSWJLMKZGYPNS-FQEVSTJZSA-N 468.344 5.208 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)n[nH]1 1820965253 COGHNZVXYMELML-XJCKULRNSA-N 489.620 5.598 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)[nH]n2)c(Cl)c1 1821277371 XWCRGDJRPSMHAX-NRFANRHFSA-N 473.920 5.301 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821279049 YXNGOJWLCRGFCT-OAQYLSRUSA-N 482.009 5.243 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1)C(F)(F)F 1821991919 CPESVVWAMGIKCL-AWEZNQCLSA-N 482.915 5.702 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)[nH]n1 1822383138 XGMOCVHZSHGAIH-XHDPSFHLSA-N 493.452 5.011 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1)c1ccc(O)cc1 1822469478 WQRGODKOLAHLTH-QFQXNSOFSA-N 495.583 5.100 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1822581939 VFGOGBHJCONRJM-QFIPXVFZSA-N 483.572 5.651 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccccc3)[nH]n2)c1 1823217187 REKYLTWDOIWXKQ-RXFVGMGFSA-N 467.573 5.146 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 1823683837 NMZLLJFOVAOURU-VWLOTQADSA-N 481.999 5.217 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828355155 ZKHXYAUATKNERV-NRXURXQESA-N 497.595 5.260 30 20 JKED COc1cscc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828905116 HZRPHABGSPMDNB-QFIPXVFZSA-N 474.743 5.041 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)[nH]c2c(Cl)cccc12 1828996646 NOCDIYXBXRVINY-MSHUQIKOSA-N 495.023 5.075 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)CC1 1829280779 QUOSAEKFGGARHB-UNMCSNQZSA-N 467.635 5.405 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1Cl 1829688937 PTIOKBSEMOZFSU-QHCPKHFHSA-N 484.427 5.341 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)c1 1829901609 CTKFKZMUGJEFOD-JOCHJYFZSA-N 470.400 5.412 30 20 JKED CN(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c2ccccc12 1829954927 UNOZVSBUMIRQLH-MUUNZHRXSA-N 494.639 5.325 30 20 JKED COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)ccc1C 1830066707 NIPWDHLVCCVTOU-QHCPKHFHSA-N 480.008 5.076 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1 1830172325 RTYHEGMXOGUTJP-SANMLTNESA-N 487.644 5.311 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830663194 BHEKLBBLSKAMCH-HXUWFJFHSA-N 486.962 5.323 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c(Cl)c1 1830722783 QVFYXVUDLBKRCX-HSZRJFAPSA-N 470.400 5.412 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755734 OBTJEZGTWRMFGU-QHCPKHFHSA-N 473.539 5.004 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 1830769007 FCMPTVWAWXMVIP-DEOSSOPVSA-N 455.558 5.160 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1832028467 PIIFTNVHSNVGQI-FIPFOOKPSA-N 478.677 5.004 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)CC1 1832563182 NEJHKOOQMZBFQL-RPBOFIJWSA-N 450.623 5.013 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1F 1832620881 CWDKPPCRXWKWST-DORXLWPQSA-N 486.584 5.007 30 20 JKED C[C@@H](Oc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633414 HSZDPTMRARGQIX-OREGWCPLSA-N 473.617 5.014 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)CC1 1838375448 IJCHZZALJBDFQM-NRFANRHFSA-N 496.545 5.225 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1Cl)N1CC2(CCCN2C(=O)CCCC(F)(F)F)C1 1841829629 WIROODDYPPKOHI-UHFFFAOYSA-N 474.804 5.048 30 20 JKED C=C(C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)C1)C(F)(F)F 1844743620 NKGDGZIMRJSTAL-UHFFFAOYSA-N 496.888 5.090 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1OC 10242733 QODRVWZNIVJROX-SFHVURJKSA-N 458.587 5.262 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccc(F)c(Cl)c1 10755298 LGNCGWKVZZCHTA-UHFFFAOYSA-O 490.023 7.047 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc(Cc2ccccc2)cc1 11153264 BSTQZHRPWVXCMZ-UHFFFAOYSA-O 492.089 6.948 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11160507 OWAIBRFWCDRJCJ-UHFFFAOYSA-O 468.440 5.967 30 20 JKED C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nc2scc(-c3cccs3)c2c1=O 11382773 WHQRFYDKRVGTQI-UHFFFAOYSA-N 475.567 5.382 30 20 JKED N#Cc1ccc(COC(=O)c2ccccc2NC(=O)c2ccccc2Br)c(F)c1 11506906 OJGZWSVTLHOUFN-UHFFFAOYSA-N 453.267 5.069 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1c[nH]c2ccccc12 22117281 SOJBRJZBAGOPNG-HFJWLAOPSA-N 472.618 5.259 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)NCCc1ccc(OC)cc1 22802156 LEZFCVWQTMQNHV-UHFFFAOYSA-O 498.466 5.079 30 20 JKED N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 68769425 YYLBFZYBVUGGPF-UHFFFAOYSA-N 477.549 5.797 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 107541509 OXZPDDFGYAOSMI-UHFFFAOYSA-N 483.815 5.445 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1Cl 107646904 ARISNEYVWOEZNY-XMMPIXPASA-N 494.016 5.422 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 195611382 DYZHDNINKSPYJI-QFIPXVFZSA-N 495.366 5.604 30 20 JKED CN(C)C(=O)COc1cccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 303018427 LEIQURBMVYGZLC-ZHACJKMWSA-N 460.477 5.192 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCNC(=O)c1ccc(Br)cc1 303027689 SPOBVEYACBFTEJ-UHFFFAOYSA-N 478.346 5.180 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 303210322 RATULENTGVACFC-XMMPIXPASA-N 498.627 5.201 30 20 JKED C=C(C)CN(CC)C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2nc(N3CCCCC3)sc12 477216345 JMDAXOTWVVPIGO-UHFFFAOYSA-N 480.634 5.404 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)C2)c1 488013517 ILDOQKOFIGCJGR-SANMLTNESA-N 483.587 5.395 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1Cl 491568933 JYKVEPSYOAYDIK-GJZUVCINSA-N 473.020 5.682 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 498358129 DRAVVPWVHRSVKZ-UHFFFAOYSA-N 472.936 5.664 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC1 501136778 VIXIXDASURKHIT-UHFFFAOYSA-N 481.531 5.179 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)c2)c1 503161077 WGWBAMVEGJVZQT-UHFFFAOYSA-N 479.874 5.561 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nc2ccccc21 503222102 WMQWCRDGZWCSJC-INIZCTEOSA-N 462.600 5.655 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)c2cccs2)cc1 506579493 PLDWWUSMIDDNKA-XMMPIXPASA-N 461.587 5.204 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 508442328 BRXDLVUPXYKTBH-UHFFFAOYSA-N 487.581 5.326 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(F)c1 510010271 PKQAKZMRVARSBP-VWNXMTODSA-N 473.939 5.779 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 512542049 ZKXAXZBVDOOHCJ-UHFFFAOYSA-N 491.956 5.596 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513677062 PPPJVEPNBQPVBM-HNNXBMFYSA-N 481.002 5.851 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccccc1OC 514955403 WTSYBMYQKMLRPB-CYBMUJFWSA-N 469.567 5.008 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nc2sccc2c1=O 515306459 MSKHRTFCHQVHQX-ZDUSSCGKSA-N 478.624 5.875 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)cc1 515656168 MMHWBZJPQDWWLR-UHFFFAOYSA-N 474.611 5.627 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 516317812 UZBGTXCSUPFORV-UHFFFAOYSA-N 488.507 5.435 30 20 JKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 516364355 CXOYABNOLJISGY-UHFFFAOYSA-N 454.452 5.610 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 516387879 HKZRWZXZHJEQNE-JOCHJYFZSA-N 455.583 5.341 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)cc1Cl 517163598 MDXRQMZGUMNELV-NOZRDPDXSA-N 472.976 5.473 30 20 JKED Cc1cc(Cl)ccc1Cc1cnc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)s1 517506813 RLTTWXVYAQRAKW-UHFFFAOYSA-N 466.994 5.361 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)n2)cc1 517800694 BOYDIGWJUIZQBT-KRWDZBQOSA-N 479.359 5.461 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 518141041 CJYQEJCLUUXWTA-UHFFFAOYSA-N 477.511 5.128 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 518255821 SQLSMEKFCPQDBK-IBGZPJMESA-N 470.533 5.244 30 20 JKED N#Cc1ccccc1COc1cccc(CNCc2ccc(N3CCc4ccccc4C3)nc2)c1 518771871 LZKSLBQKBOWTHN-UHFFFAOYSA-N 460.581 5.385 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 519186713 OFYXXOLBUXIEPC-UHFFFAOYSA-N 467.525 5.865 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 520939294 PZDLZNJILGQDQP-IRXDYDNUSA-N 473.440 5.491 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(OCC)c(OCC)cc1Br 521096277 ZMCMCJQBIQBXGW-UHFFFAOYSA-N 458.356 5.338 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nnn1-c1ccc2ncccc2c1 521325914 YXBGAODQASKZDC-UHFFFAOYSA-N 474.524 5.021 30 20 JKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)[C@@H](C)Oc4ccc(C#N)cc4)cc3s2)s1 523277137 RJYVQYZFMJGYOM-CQSZACIVSA-N 462.556 5.196 30 20 JKED CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 557611674 QQVXGGARPFAVKO-UHFFFAOYSA-N 469.916 5.352 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2C#N)CC1 566933450 AUKHHVICRAZNLF-UHFFFAOYSA-N 487.987 5.306 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 587788425 DHBJJQANLCHDHT-UKRRQHHQSA-N 484.318 5.354 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)c1 589802816 WJHLWGQKIOSADU-HSZRJFAPSA-N 452.913 5.278 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 603747406 IOKXXLVBQKYZTA-QFIPXVFZSA-N 479.502 5.155 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1 603875513 QONOSIZUPUXQRS-FICVDOATSA-N 460.374 5.370 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 604006510 JDOBDZWLVRALMW-DEOSSOPVSA-N 478.383 5.363 30 20 JKED Cc1ccc(NC(=O)[C@@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Br)c1 604044443 PBENGTPVZWOUSJ-QGZVFWFLSA-N 464.363 5.647 30 20 JKED C[C@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)C1 604089465 AUSXKPGZSZBATO-SFHVURJKSA-N 480.996 5.506 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 604128282 RZBFXKZZPZHXOA-HXUWFJFHSA-N 458.562 5.224 30 20 JKED CN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H]1CCCc2ccccc21 604160147 AZOAEIVQXYFVDV-HSZRJFAPSA-N 459.933 5.478 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 608995646 UQTFUENKNILMKV-VWLOTQADSA-N 463.484 5.215 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(OC)c1OC 609006194 DHIVLPQJRWAETJ-NRFANRHFSA-N 482.989 5.653 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 609079256 RWAZBYBSHQBQCZ-UHFFFAOYSA-N 479.584 5.932 30 20 JKED N#C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 609172313 XJAUFWSETCNWMB-MHZLTWQESA-N 497.576 5.061 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccccc1SC[C@H](C)C#N 609377668 BVWACRPKNDDZDP-CQSZACIVSA-N 473.429 6.229 30 20 JKED CS(=O)(=O)Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)oc2ccccc12 609378196 UHXIXXYAVKZAQY-UHFFFAOYSA-N 482.505 5.254 30 20 JKED Cc1ccccc1Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609439295 ANSCBYQZZVDBNK-IBGZPJMESA-N 459.571 5.437 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c12 613404968 YCOPUXMVABRKGQ-MRXNPFEDSA-N 464.520 5.853 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 622499332 SKRCYCDSBCPION-GOSISDBHSA-N 487.375 5.263 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S/C1=N/[C@@H](C)c1cccs1 726420629 JDVSMKFVLURROE-JCPNLMEESA-N 481.643 5.328 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2ccccc2)C=C1 726570088 RHEFRZIHVILRAW-UHFFFAOYSA-O 464.570 5.052 30 20 JKED COc1cccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1OC(F)F 726627206 OYXRGEKZEIZJMH-CHHVJCJISA-N 452.891 5.227 30 20 JKED O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3cnc(-c4ccccc4)s3)cc2)cc1 727263841 JRRQRUIYTFRNKA-NTCAYCPXSA-N 490.562 5.205 30 20 JKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)C1CCCCC1 727627941 QSUGDVPKDNFQHJ-GUYCJALGSA-N 464.418 5.768 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl 727655099 SVVVTNVMKSAXHH-PTZVLDCSSA-N 496.441 5.186 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cs1)c1cccc(C)c1C 728347292 QPYXWVAQGMDSIT-DEOSSOPVSA-N 474.586 5.028 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccs2)cc1 728422152 CSJCENOFNMLYBZ-JOCHJYFZSA-N 490.610 5.179 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)c1 728776509 CKNATBUJJWWXSJ-XMMPIXPASA-N 486.597 5.503 30 20 JKED COc1ccc2oc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(Cl)cc4)n3)c(C)c2c1 729151769 XKWSVHQOJIFLPL-POHAHGRESA-N 466.946 6.440 30 20 JKED N#Cc1ccc(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)nc1 729244715 LCHLWOWEVQLQQN-UHFFFAOYSA-N 461.597 5.475 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 729634787 UDJDUIVBRFDDOW-NRFANRHFSA-N 482.968 5.343 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccccc2C)cc1 729668091 AJRAJOTUONKITH-UHFFFAOYSA-O 465.595 5.617 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(CCc3c(C)noc3C)C2=O)cc1 730441745 AKLJGLANZJSIOQ-QHCPKHFHSA-N 494.592 5.250 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 730727920 XSBFIJKZIZZTOW-KXBFYZLASA-N 483.594 5.016 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 730834874 UPJSFRVQBHADBN-OAQYLSRUSA-N 456.489 5.333 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 731072381 GRCWQGVLCHQGFY-UONOGXRCSA-N 467.374 5.337 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1=S 749670583 BBGKQTNHEMPUQU-PKTZIBPZSA-N 497.709 5.260 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 750393117 YDQCWDLSUXEYTQ-NRFANRHFSA-N 469.570 5.082 30 20 JKED FC(F)(F)c1ccc(NN=Cc2cc(Br)ccc2OCc2ccccn2)nc1 818216077 CFINDJUQUAMVFX-UHFFFAOYSA-N 451.246 5.283 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1cccs1 838483590 UJQKSXWFAIQBKI-OAQYLSRUSA-N 465.600 5.226 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C[C@@H]2CCCO2)C1=O)Nc1cccc2ccccc12 838574727 BHFMZPRXPYHSBK-MBSDFSHPSA-N 495.551 5.257 30 20 JKED N#Cc1ccc(N2C[C@H](c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)CC2=O)cc1Cl 904507734 HJWOARXALMGICT-MRXNPFEDSA-N 475.867 5.109 30 20 JKED C=CCn1c(SCC(=O)OCCc2scnc2C)nnc1-c1ccc(Cl)cc1Cl 912721337 ZKVJHEPIYIDWGB-UHFFFAOYSA-N 469.419 5.081 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(C)C)c1 913118733 ZPXSXGBMHQWVGK-DEOSSOPVSA-N 488.613 5.415 30 20 JKED N#CCCN(C(=O)COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 913252300 MQPZOLQBHNKQBJ-RUZDIDTESA-N 486.959 5.137 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C)c1 914544941 AICWZQAMNNTKNM-XMMPIXPASA-N 473.598 5.302 30 20 JKED N#CCCN(C(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1cccc(Cl)c1 914916666 XQPKXINGTRHVJV-UHFFFAOYSA-N 476.964 5.034 30 20 JKED COc1cc(CC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc(OC)c1OC 915102737 FXCWNQXLDJOXCW-JPGHVHQMSA-N 466.603 5.056 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 915353871 YTLZGEDEYQKMLF-VWLOTQADSA-N 478.518 5.711 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC(F)F)cc1 916212785 YMMDNXJJXFRIAA-SFHVURJKSA-N 495.935 5.096 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NN=C(c3ccccc3)c3ccccc3)cs2)cc1 916264117 XFHKGTMQOQYKOU-UHFFFAOYSA-N 454.555 5.708 30 20 JKED N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1nc(O)c2c3c(sc2n1)CCCC3 916846531 ABZKSYZPWLJXRN-QGZVFWFLSA-N 498.633 6.145 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(NC(=O)c2ccco2)c1 916905003 HOTGGCDSNXCKQN-OAQYLSRUSA-N 465.465 5.285 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 916911900 HPYQBSHJTCIYCU-IBGZPJMESA-N 472.595 5.360 30 20 JKED COc1cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1c(C)noc1C 916916460 SZYRURGGVYGETE-BLSBEMRDSA-N 495.535 5.393 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916917131 FDMPHWNFDJUEJC-HSZRJFAPSA-N 456.933 5.186 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)n2)cc1 916975249 WRCLFIGESNYEAT-FQEVSTJZSA-N 480.014 6.226 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)o2)cc1 916995115 AYQGURKZCBWMCI-SFHVURJKSA-N 482.392 6.889 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042713 FZCKQYSVOJQJHZ-ZBEGNZNMSA-N 463.506 5.631 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C(=O)Nc2cccnc2)C(=O)c2ccccc2)cs1 917560015 PSCCUEYQAQXCQZ-IWIPYMOSSA-N 482.565 5.436 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)s2)cc1 917612751 GEVGVHQQYPQJPA-UHFFFAOYSA-O 469.055 6.788 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)c1 917690408 WANLCKUBSGMSFJ-QHCPKHFHSA-N 458.587 5.113 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cc(Br)cs3)n2)cc1 918487549 PEEBCHLRLKLRKR-AWEZNQCLSA-N 460.378 5.158 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 918669303 DQNCGHXATFUUPI-UHFFFAOYSA-N 494.956 5.080 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCSc2ncnc3sc(C)c(C)c23)cc1 920109325 CZIHGIFAQCRGDQ-LJQANCHMSA-N 466.632 5.481 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)cc1Cl 920111776 QIZUXABLCIAHCQ-FQEVSTJZSA-N 469.324 5.542 30 20 JKED Cc1c(NC(=S)NN=Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)c(=O)n(-c2ccccc2)n1C 920360399 PEUOTOMBLTUIOY-UHFFFAOYSA-N 499.518 5.084 30 20 JKED COc1ccc(OCc2nc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)cs2)cc1 920362407 AXDSITNWPYNECM-UHFFFAOYSA-N 488.594 5.360 30 20 JKED O=C(COC(=O)C1(c2ccc(F)cc2)CCOCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 920666565 IOHHNMKVFPZTMJ-UHFFFAOYSA-N 493.375 5.093 30 20 JKED CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2[C@@H]2CCCO2)cc1 920751028 AYCBMGVUEZBEEW-QHCPKHFHSA-N 488.617 5.188 30 20 JKED CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 920893479 WDWLVQRPZBTGDN-LJQANCHMSA-N 498.539 5.213 30 20 JKED CCOCCOc1ccc(Br)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1 921256226 NYGLKVJJNQVGKC-UHFFFAOYSA-N 495.830 5.284 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccc(O)c(Cl)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 921294600 KUIXHJQVLGHKRI-IBGZPJMESA-N 465.859 5.229 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC(F)(F)C4)cc3)CCC2)c1 1785799714 GDUNXNJQVJOAFU-HXUWFJFHSA-N 451.517 5.060 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@@H](c3ccccc3)C(C)C)cc2)CCC1 1786183180 DGAOSXQJMUEBQP-RUZDIDTESA-N 462.590 5.070 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CSc3ccc(F)cc3F)cc2)CCC1 1786323469 QCANMTIDYCDLQR-UHFFFAOYSA-N 474.573 5.174 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(ccc5ncccc54)s3)CCC2)cc1 1786361002 PYXZTIADFKCKDH-GOSISDBHSA-N 483.593 5.236 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3Cl)CCC2)cc1 1786364345 HMFQZMYOMFTCGP-UHFFFAOYSA-N 470.997 5.008 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3sccc3F)cc2)CCC1 1786521156 VLTJEHVPNYDQHT-CMDGGOBGSA-N 454.548 5.136 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)cc3)CCC2)CCC1 1787951286 YUHHIEKYHQBHDJ-ZKMPZPQNSA-N 468.601 5.192 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4N)cc3)CCC2)c1 1788074117 XGMQMCLOUCHDAR-XIJQHFHMSA-N 464.569 5.357 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC=CCC4)CCC3)cc2)c(C(F)(F)F)n1 1788358531 HBSUJOHVUHAQID-INIZCTEOSA-N 468.479 5.076 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982791 UTIRQMFSUASQFM-UHFFFAOYSA-N 453.995 5.488 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)cc2)CCC1 1789129243 ZPEHRHVMASVXGI-UQUNAIJVSA-N 495.664 5.511 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)CCC2)cc1 1789450068 ZXVNMSQXVNGWQM-NOZRDPDXSA-N 457.574 5.082 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COc3cccc(N(C)C)c3)CCC2)cc1 1789453347 XBGZMCRYMCTKNW-VWLOTQADSA-N 461.606 5.034 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Nc4ccccc4)cc3)CCC2)c1 1789467839 XSOJUPMKNQLXPC-HXUWFJFHSA-N 452.558 5.115 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3csc(-c4ccccc4)n3)CCC2)cc1 1789513291 WTCCJDXSGSHJQR-MTDXEUNCSA-N 487.629 5.030 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(OC)ccc5o4)CCC3)cc2)c1 1790073120 NIASGSIFZQNOCD-UHFFFAOYSA-N 495.535 5.383 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4cccc(F)c4)CCC3)cc2)c1 1790144373 GFVZYXWGAFFECU-UHFFFAOYSA-N 479.515 5.149 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CCC2)c(C#N)c1 1790295668 HHNJIAYLOUSALD-UHFFFAOYSA-N 473.960 5.211 30 20 JKED CCOc1ccsc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3C#N)cc2)CCC1 1790472011 CPGPCKADEAFUCD-UHFFFAOYSA-N 489.597 5.017 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)CCC2)cc1 1790568523 TYZILNUGTVCVOT-KRWDZBQOSA-N 492.542 5.636 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5ncccc45)cc3)CCC2)c1 1790903563 FAPLMFPPMSFHDM-IBGZPJMESA-N 475.552 5.318 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791582563 CEXZZUBSNONJNU-OAQYLSRUSA-N 495.664 5.207 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cn4ccsc4n3)CCC2)cc1)c1ccc(O)cc1 1791646519 WBGCICCHDAGHLC-HXUWFJFHSA-N 498.608 5.046 30 20 JKED C[C@@H](Oc1cccnc1)C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1791892763 MXGMMQWKLMPASI-OAQYLSRUSA-N 477.681 5.034 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c(F)c1 1792126784 LKLKLPPSUILNPS-GOSISDBHSA-N 471.532 5.523 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@]3(C)CC3(F)F)cc2)CCC1)c1ccc(O)cc1 1792247316 AARWZEJHEOHYKA-CLOONOSVSA-N 466.528 5.069 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(Nc3cccc(OC)c3)CCSCC1)C2 1792572755 SLFKQLHRJNWGJU-NUNAXRQHSA-N 499.721 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1802948063 XPINNNLJNKCUCB-LBNVMWSVSA-N 484.644 5.261 30 20 JKED CC(C)c1ccc(C(=O)N2CCC3(CCCN(C(=O)CCc4ccc(C#N)cc4)C3)CC2)cc1 1804762749 JDLVXCFLRTVOHO-UHFFFAOYSA-N 457.618 5.159 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1806411559 XWWRBOFOEWVMLH-YTMVLYRLSA-N 467.613 5.252 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@H](CNC(=O)C3(C#N)CC3)[C@H]2c2cccnc2)cc(C(C)(C)C)c1 1806857163 GNHRPALDRGFQEA-PXDATVDWSA-N 486.660 5.300 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809217652 RCNPLMFQQGVQRI-REHUZNOOSA-N 494.060 6.038 30 20 JKED CC(C)=CCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811252186 TXXLYVOBCBUGLL-VEEOACQBSA-N 491.635 5.547 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[C@@H]1c1cccnc1 1811298110 MTVJCBNXNQNDJE-IDOVBLGQSA-N 493.611 5.157 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)c(Cl)c2)[C@H]1c1cccnc1 1812590457 OKEKGTIGAVRMHZ-XERREHJYSA-N 490.829 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(OC)c2)[C@H]1c1cccnc1 1813921116 NTALAWXYOLNKLS-AUSIDOKSSA-N 470.013 5.056 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cnc4ccccc4c3)n[nH]2)c1 1814726851 BCKGPVPTEXYLCX-AREMUKBSSA-N 492.583 5.077 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2ccc(OC)cc2)n[nH]1 1814729311 ZATYWXRUBRXWMO-XMSQKQJNSA-N 452.599 5.207 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c1 1814736461 CKELQMGWEUFOFG-OYLZNMFWSA-N 492.583 5.101 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1815246227 ZLONXIYKFYZHLA-FXAWDEMLSA-N 460.987 5.070 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)oc2C)n[nH]1)c1ccccc1 1816415924 KHQUQZZAZRHETP-URXFXBBRSA-N 458.562 5.123 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(Cl)s2)[nH]n1)c1ccccc1 1819518636 BMWSKKLPFSAMAQ-MJGOQNOKSA-N 482.009 5.023 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)ccn1 1820218811 ZJGUYFSBDXFQRQ-FQEVSTJZSA-N 490.995 5.247 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3OC(F)F)[nH]n2)c1Cl 1820222631 BPJSGQHPDWRLLC-GOSISDBHSA-N 499.905 5.156 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC3CCC(C)(C)CC3)n[nH]2)c1 1820979496 NOKLQVIXSVMSJY-NTKDMRAZSA-N 475.637 5.949 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)[nH]n2)c1 1821325592 JYTWCDOZIUGMTH-DEOSSOPVSA-N 498.974 5.411 30 20 JKED COc1cc(C)c(C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1821343193 DCDOONZSFYORRG-NTKDMRAZSA-N 485.588 5.282 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]n1 1821925240 OQPIBAACFOPWOF-HOYKHHGWSA-N 482.588 5.471 30 20 JKED C[C@@]1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CC=CCC1 1822981371 PYJNCOOVTHMINK-HYBUGGRVSA-N 485.510 5.352 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)[nH]n2)c1 1823210740 HRQFUBMTOATOJL-HRAATJIYSA-N 469.536 5.168 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1823214358 CFMVWZWFAQQJOA-HYBUGGRVSA-N 489.696 5.394 30 20 JKED Cc1cc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)[nH]c2cc1C 1823215072 MDNJXDFPDCPDRZ-UUOWRZLLSA-N 495.587 5.150 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)[nH]n2)c1 1823217411 RYQGLCHTCNTGAF-KOSHJBKYSA-N 494.555 5.311 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1823885756 GRJNNVFMEFRZLA-VWLOTQADSA-N 483.616 5.013 30 20 JKED Cc1scc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1C 1824053002 XXRDZOGRLBTBGP-VWLOTQADSA-N 463.647 5.103 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)CCCCC)CC1 1824761395 UIPGZFQLYXNCGT-XWGVYQGASA-N 491.717 5.292 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1824961603 SBVLMVZUIBIPLF-HSZRJFAPSA-N 494.742 5.208 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc(C(F)F)c3)CC2)c1 1825406690 PIMHFMMWIADGLE-KOSHJBKYSA-N 480.559 5.193 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cccnc34)CC2)c(Cl)c1 1828043119 ZOIZKOFKFOAKRI-VWLOTQADSA-N 487.003 5.307 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828155346 CHWNMCBEYQZIHJ-JOCHJYFZSA-N 454.611 5.467 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1)C(F)(F)F 1828168510 BWSZJNPWDZKGDF-QHCPKHFHSA-N 487.566 5.258 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)cc1 1828546818 LTDYMEZIJVVSPT-QFIPXVFZSA-N 491.682 5.701 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccccn3c2C)CC1)c1ccccc1 1829031677 DFIKBPURQBQSDH-SXOMAYOGSA-N 496.655 5.073 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1 1829958280 DZVBDGHMHUFYCS-QFIPXVFZSA-N 470.400 5.412 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Br)ccc3F)CC2)cc1 1830011402 MEMXTDKGQAANCC-QHCPKHFHSA-N 498.396 5.007 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc1 1830628366 GFBRFAUFGMGVAB-XMMPIXPASA-N 475.658 5.240 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)nc2ccccc12 1830718696 LLZWPXBGGQSQEG-MHZLTWQESA-N 484.575 5.101 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1C 1830720906 MNLBCFQJLJLHOM-RUZDIDTESA-N 494.035 5.005 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccs3)CC2)cc(C(F)(F)F)c1 1830755679 LDEROGFXHSUPEN-QFIPXVFZSA-N 489.563 5.115 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC1 1830756114 RUFWDURYUGBSGP-URXFXBBRSA-N 487.566 5.557 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cc(C)[nH]c34)CC2)c1 1830769195 JPCNVWBTHOYUBF-AREMUKBSSA-N 468.601 5.204 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)c1 1830770799 JWULIAILOLIIMT-WXVAWEFUSA-N 457.618 5.294 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)cc2s1 1830890053 LXTNVJHAZBDVAW-HSZRJFAPSA-N 495.048 5.610 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1832029573 IGSQYOWOXGUBLY-VWLOTQADSA-N 481.040 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1832092824 XWBJNWPFCTZUFL-HSZRJFAPSA-N 493.614 5.645 30 20 JKED COc1cc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1832634111 RTZFULMRFWZVGX-CJAUYULYSA-N 495.570 5.148 30 20 JKED CC(C)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)cc1 1838600162 FKWXZKSPJNUFIA-JOCHJYFZSA-N 487.644 5.363 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1838756478 PJHXKDBKNHRNST-UHFFFAOYSA-N 456.618 5.193 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(Cl)cc1Cl 10836196 JHENTAOBTUSHQK-UHFFFAOYSA-O 499.270 7.201 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccc(Cl)c(Cl)c2)c1 11159770 MAINLLUUANQBHD-UHFFFAOYSA-O 450.436 6.319 30 20 JKED CCOc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3OC)=C2C)cc1 11206872 LKDFWLJSTNGAHU-SANMLTNESA-N 498.608 5.314 30 20 JKED N#Cc1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)cc1 12136790 QGNGRSXEEYZXDL-UHFFFAOYSA-N 455.534 5.019 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(N(C)C)cc2)c(Cl)c1 15248211 AKMYBTSOBADHRI-UHFFFAOYSA-O 473.449 6.015 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 22680028 SWTIWJKBVCLGQH-ZDUSSCGKSA-N 465.381 5.547 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731125 VQWHVCWFSARHIQ-UHFFFAOYSA-O 498.584 5.533 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22802262 GSPJOPRDPNPMHT-UHFFFAOYSA-O 478.682 5.007 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nc2ccccc2c1=O 23547106 HNSGJEVSSVEHSA-CYBMUJFWSA-N 478.624 5.462 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2SC2CCCC2)CC1 25268062 PEIWCKSEIQNLHY-UHFFFAOYSA-N 462.575 5.696 30 20 JKED C=CCN(C(=O)[C@H]1CC(=O)Nc2ccccc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 58530766 DZSODFLOOZAGDA-HNNXBMFYSA-N 458.370 5.762 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl 71975978 ISCWCNKHGSINRA-UHFFFAOYSA-N 478.755 5.271 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)CC1 72029448 YNKOQWCGACUJLT-UHFFFAOYSA-N 497.939 5.577 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)cc1 105185879 VIHHMMRHAAEQNS-UHFFFAOYSA-N 467.550 5.587 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1 108689364 BVLHUAXPVUWEIG-UHFFFAOYSA-N 450.325 6.372 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc12 113144746 IAFMVUVPPRVFQQ-MRXNPFEDSA-N 469.353 5.663 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)nc(O)c2c1C 303382353 MVUVFHKKKTWDTM-RISCZKNCSA-N 481.430 5.323 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)n1 488284659 XABZFSPCQKSQGH-MRXNPFEDSA-N 476.505 5.405 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 508156507 IIYVCAIHVYZCKS-UHFFFAOYSA-N 484.383 6.034 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 510097568 HESJUOALZWRLED-MRXNPFEDSA-N 456.527 5.118 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)nnc1-c1ccc(Cl)cc1 512323150 ZQFPNTKWHCDWEN-UHFFFAOYSA-N 479.993 5.787 30 20 JKED N#C[C@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513672571 SEILDMIZOLHAFT-HXUWFJFHSA-N 455.539 5.345 30 20 JKED CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc21 515730789 RMWOGZVKHCNMEE-UHFFFAOYSA-N 471.582 5.733 30 20 JKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 516423964 JOOJWYHJNRVYRR-SECBINFHSA-N 454.317 5.161 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)n2)cc1 517800878 MUHOGNRFGAGTCC-IBGZPJMESA-N 457.559 5.512 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 518668833 OWBWQSCHBYWBSK-IBGZPJMESA-N 475.639 6.230 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 519424739 DJBNAZYYFLNAFO-INIZCTEOSA-N 486.018 5.645 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 519432808 AVBRFYIUUQKTTE-CHWSQXEVSA-N 453.789 5.760 30 20 JKED COc1ccc(C(=O)CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 520513812 SYTGJNMSGKUQEU-OAQYLSRUSA-N 462.933 5.614 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 520855614 URAKFEAGLWZIGA-HNNXBMFYSA-N 471.051 6.613 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 521719583 JANBXUVKTCGNBF-GOSISDBHSA-N 489.626 5.711 30 20 JKED C[C@@H](CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1c(Cl)cccc1Cl 522457094 ZBMNXUIMODXAQR-HNNXBMFYSA-N 459.377 5.029 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@H]1CCc2ccccc21 523249349 KKNKMVKKLXPCIL-DEOSSOPVSA-N 469.541 5.224 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3ccc(I)cc3Cl)n2)cc1 524141120 FWESMSVGHKKHCF-UHFFFAOYSA-N 465.703 5.192 30 20 JKED CC(C)OCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)oc2ccccc12 524498256 SDGWYTIMOBRZOA-UHFFFAOYSA-N 458.489 6.200 30 20 JKED O=C(Cc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1)Nc1ccccc1F 590336367 XQHVNVPYUTUDCZ-HUUCEWRRSA-N 491.407 5.602 30 20 JKED Cc1sc2nc(S[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n(C(C)C)c(=O)c2c1C 597522259 HNWRIHMWVYYNGN-HQAKMAPYSA-N 460.669 5.067 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 603521163 ZGHXMFWZRSZFBM-UHFFFAOYSA-N 495.919 5.210 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)cn2)c1 603622727 XKIQBZBJXNQZMJ-RUZDIDTESA-N 496.954 5.899 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 603738908 ZSMGTSSLVWYPGW-QHCPKHFHSA-N 490.563 5.698 30 20 JKED COc1ccc(NC(=O)CSCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 603758929 PBZFIVJAIILFJC-QFIPXVFZSA-N 479.989 5.314 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003502 CUGGASPHFVOQGL-UHFFFAOYSA-N 471.557 6.079 30 20 JKED CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 604205401 NRLNCVIQJCMRJW-KUHUBIRLSA-N 474.007 5.055 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCC3(c4ccc(Cl)cc4)CCOCC3)cn2)c1 604362155 NZJQSYDXXNAXSE-UHFFFAOYSA-N 462.937 5.269 30 20 JKED C[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)NC(=O)C1CCCCC1 609062323 LYNBOROAIMAVEY-QGZVFWFLSA-N 453.970 5.204 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1nc2cc(Cl)ccc2s1 609078854 AUXMMSYDNKBJRP-UHFFFAOYSA-N 462.962 6.031 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCCc3ccc4c(c3)CC(=O)N4)s2)c(C(F)(F)F)c1 609164903 HSVSTVCAJUBEHM-UHFFFAOYSA-N 484.503 5.080 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3-c3nc4ccccc4s3)CC2)c1 609204908 NIWQILGTTFEYBW-UHFFFAOYSA-N 454.555 5.910 30 20 JKED CCC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)Nc1cccc(N2CCCC2)c1 609435380 KTCOOHUEFZDVTQ-CVDCTZTESA-N 479.650 5.610 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 609435562 XEVNBEWORQJPOF-SIBVEZHUSA-N 457.599 6.317 30 20 JKED O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F)c1ccc(C#Cc2ccccc2)cc1 611897382 NZUYJHRAHLBSAW-DEOSSOPVSA-N 478.470 5.475 30 20 JKED C=CCn1c(SCc2nc(O)c3ccccc3n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 612877958 YBASDZDKJJROGC-UHFFFAOYSA-N 490.585 5.700 30 20 JKED CC(C)(C)n1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C(F)(F)F 613404975 RUQHXVDCKPYVTG-JTQLQIEISA-N 460.403 5.775 30 20 JKED N#C[C@H](C(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281695 PAGPCFLOHPQSJX-QGZVFWFLSA-N 492.409 5.147 30 20 JKED N#Cc1ccc(CNCc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)cc1 725845933 QFDLDJCCTMRWDA-UHFFFAOYSA-N 477.527 5.425 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cccc(C)c2)cn1 726118576 OEBDMNILYFAIBA-OAQYLSRUSA-N 482.009 5.025 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC)c(F)c2)cc1 726409798 CWXQVXITFAHVOO-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CC(C)c1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 726571351 URZZSCUWWHWHHI-UHFFFAOYSA-O 491.080 7.243 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(F)cc1F 726571555 XFAVIEXAFHPCAQ-UHFFFAOYSA-O 456.925 5.663 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc(OC)c(F)c2)cc1 726576462 VDOHECSWTMGNEL-UHFFFAOYSA-O 468.574 5.002 30 20 JKED N#Cc1cccnc1NCCNC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 726849946 ZLVSGZWBCWLRAG-UHFFFAOYSA-N 488.935 5.074 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1OCC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 727954939 WSXJPYJJNPUYCM-LBPRGKRZSA-N 474.382 5.511 30 20 JKED COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062010 GHTSPHAHLFLYBV-ZWKOTPCHSA-N 463.965 5.477 30 20 JKED CCc1c(-c2csc(=Nc3cccc(NC(C)=O)c3)n2CCCCC#N)[nH]c(C)c1C(C)=O 728776435 QXWXEBASJIHWNV-UHFFFAOYSA-N 463.607 5.503 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)c1 728780340 RATPWBNIFVUGCX-DEOSSOPVSA-N 488.588 5.942 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3scnc3C)C2=O)cc1 729141961 GREKXMBXHPYNSI-NRFANRHFSA-N 492.626 5.123 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1scnc1C 729143830 RLPUVETYERZGKL-LJQANCHMSA-N 464.616 5.229 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1 729144622 WCCUUAXNVYUWLT-IBGZPJMESA-N 468.579 5.060 30 20 JKED C[C@H](OC(=O)/C=C\c1nc2ccccc2s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 729248320 HFQHYKQKKCAZHF-NYHXXUGCSA-N 451.573 5.082 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(OCc2ccccc2)cc1 730440649 UCJZGEARQWIMSQ-UHFFFAOYSA-O 492.624 6.310 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730461370 NHRCUIHUWVRRLZ-JOCHJYFZSA-N 497.542 6.371 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)c(F)c1 730535271 MCGBWSXZTMSMPP-GOSISDBHSA-N 476.371 5.043 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cocn2)cc1 730716230 QNFJNPKATISBPB-HSZRJFAPSA-N 492.601 5.186 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCCOc1ccc(Br)cc1 731287447 BXHSNXZMUWSREJ-KRWDZBQOSA-N 493.785 5.316 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 731288781 WEOCTWUAGJXUAU-QFBILLFUSA-N 484.408 5.846 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2cccs2)cc1 731305739 ORIZUDOYSSGIRJ-OPAMFIHVSA-N 495.626 5.054 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 731400224 MFSJEIRFDZZNFW-LBPRGKRZSA-N 470.467 5.130 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 745058850 WTNXOBPNXAYOKY-UHFFFAOYSA-N 454.482 5.505 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c1=S 746055968 MRXGWASZYXIXRG-XMMPIXPASA-N 475.618 5.100 30 20 JKED Cc1ccccc1-n1c(-c2cccnc2)nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c1=S 746062011 RYPUCRRRULVLGI-UHFFFAOYSA-N 468.630 5.761 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])c1c(C)nn(C(C)C)c1C 746485614 ZNCAHGOSPSJBGP-UHFFFAOYSA-N 498.609 5.243 30 20 JKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 748705992 XUEXIRBWPSDLIX-VWLOTQADSA-N 488.563 5.349 30 20 JKED COc1cc(/C=C2\SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)ccc1OCC#N 799200715 HKKMBZZDROBQLX-UYRXBGFRSA-N 477.032 5.244 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(CC(F)(F)F)C1=O 799214237 CJJMOSWXOOKLAO-IBGZPJMESA-N 479.524 5.341 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2ccc(C#N)cc2F)cc1Cl 808380782 KHGYOQDKSCJTSV-JAIQZWGSSA-N 483.977 6.098 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)c3c(C)noc3n2)c(C)s1 813301615 IPARWXKHXRSKHV-UHFFFAOYSA-N 480.933 5.197 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2nc3ccccc3s2)c1 818130991 AVPBMLMAIHUSAS-UHFFFAOYSA-N 498.029 5.608 30 20 JKED Cc1cc(C)c2cc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)sc2n1 823778154 PAFFFSFIJQAMTD-UHFFFAOYSA-N 450.564 5.114 30 20 JKED C[C@H](OC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 829525101 YUDVMOQEPSMIPW-HNNXBMFYSA-N 498.004 5.700 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N([C@H](C)c3ccccn3)C2=O)c1 837284294 KZOLKVOOPVCQIO-ZJSXRUAMSA-N 486.641 6.037 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1F 838570058 AJDCUFWGZWGLKK-QGZVFWFLSA-N 471.451 5.354 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 913098870 JMXXGWVNDSRTIV-FQEVSTJZSA-N 451.935 5.380 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)cc1 913365798 QEHDTOYOEQWFFG-UHFFFAOYSA-N 450.560 5.675 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1C 914540456 YTNPYHGTLJPIJJ-HYBUGGRVSA-N 472.614 5.098 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)Cc3ccco3)C2=O)c([N+](=O)[O-])c1 914692117 VFHYAUWHXRDYQL-VGOFRKELSA-N 492.557 5.088 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 915101610 JEQKKQFWEBYCAF-IBGZPJMESA-N 487.071 6.587 30 20 JKED COc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 915102412 YHLCMDIVCDLDID-GOSISDBHSA-N 464.934 5.331 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)[C@H]1c1ccc(OC)cc1 915103937 HZEMJLZOCPQWDE-YCRNBWNJSA-N 480.515 5.006 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)cc1F 915115947 AUMIGPYTRIWDRW-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915200048 UCFJCNBSPJNZNR-LOSJGSFVSA-N 458.537 5.088 30 20 JKED O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3csc(-c4ccccc4)n3)cc2)cc1 916133668 GULMHMSKCHBCPI-NTCAYCPXSA-N 490.562 5.205 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(OC)c2)c1 916205525 JUGZUSDJUIVEDH-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccc(F)cc3)C2=O)cc1 916206105 OEFMJOCHUAUXKD-QHCPKHFHSA-N 493.535 5.328 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccccn3)C2=O)cc1 916217974 ZFNCHAVCWXEWQJ-QHCPKHFHSA-N 458.587 5.167 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(Cl)cc(Cl)c1O 916273297 WRCQNKOVLBXITQ-UHFFFAOYSA-N 464.761 5.981 30 20 JKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2SCc2ccccc2)cc1OCC 916368560 HCHQFUWXDUDISU-UHFFFAOYSA-N 463.028 5.582 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc(C3CC3)nc21 916886700 JFGVHNFWGGUKSX-KRWDZBQOSA-N 469.517 5.165 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1 916916331 XFXRDLHPYQZIMG-HSZRJFAPSA-N 463.628 6.048 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916921750 ATCKMYDSYKDDEH-HNNXBMFYSA-N 467.934 5.014 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1=S 917458077 RRZXENRDHGXHHN-JOCHJYFZSA-N 486.645 5.483 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)c(Cl)c2)s1 917657605 GGMYYSOKIPIQOY-QGZVFWFLSA-N 468.431 5.164 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccsc2)cc1 917681963 SPBKHMUPTJHTKD-QFIPXVFZSA-N 479.627 5.480 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(F)c1 917688026 ZJVPSHRSEQLVFS-GOSISDBHSA-N 498.407 5.438 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc2ccccc2c1 917698770 DIYRKYJEOWDJIN-HSZRJFAPSA-N 477.586 5.227 30 20 JKED CCCC(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 918491077 XDNVFHWDSZNFFF-CJNGLKHVSA-N 450.391 5.332 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(NC(C)=O)ccc2C)c1 918612972 PHXNSLOGVWYYRH-UHFFFAOYSA-N 498.004 5.240 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccccc3Br)n2)cc1 920143223 UUIAUMWGMOFWKF-INIZCTEOSA-N 468.401 5.803 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2ccc(C)cc2)s1 920479789 SATGYPJAFZONNA-UHFFFAOYSA-N 450.589 5.464 30 20 JKED N#C[C@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)c1nc(-c2c(F)cccc2F)cs1 920804560 VNHHDVXSKYBEIX-LLVKDONJSA-N 476.480 5.629 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C#N 921254615 QHSFFJACSWMXEE-JOCHJYFZSA-N 499.036 5.297 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 925312904 RGPJPRHJXQNBHT-QGZVFWFLSA-N 467.978 5.193 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c3CCc3ncccc3-4)CCC2)cc1 1786102932 HGKOVXHIDLTHFG-UHFFFAOYSA-N 481.600 5.086 30 20 JKED Cc1cscc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649315 DDKZQVDESZBSAV-MDZDMXLPSA-N 450.585 5.305 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccsc4)CCC3)cc2)c(C#N)c1 1790472236 AMSDPVQMLTWDOO-XCVCLJGOSA-N 471.582 5.018 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ccccc4c3)CCC2)cc1 1790509732 UGCBXNHRFPHAMR-UHFFFAOYSA-N 470.569 5.026 30 20 JKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(F)c(C#N)c5)cc4)CCC3)c2s1 1790520113 FYLABEJBBHQCFK-UHFFFAOYSA-N 498.583 5.606 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OCC)cc2)CCC1 1790691875 LWNDQFRUSDBXES-KRWDZBQOSA-N 456.970 5.078 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)cc1 1790764835 JXMHRPZZQASONM-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5c(c4)CCO5)cc3)CCC2)c1 1791393842 CWZQAHWGPTXLBK-HXUWFJFHSA-N 479.580 5.239 30 20 JKED CC(C)N1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1792015779 GTCNHEQUGXSVDG-DEOSSOPVSA-N 467.730 5.044 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3ccc(Br)cc3s2)c1 1798085857 RYVCAUILOGHNLB-ACDBMABISA-N 494.414 5.101 30 20 JKED O=C(CCCCCCCCc1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798435156 JIUDVDNUWBNWIW-YONCXUMGSA-N 480.697 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCC(=O)OC(C)(C)C 1800207625 DKQLIEMNYKZNDJ-KOUNCHBCSA-N 462.675 5.299 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(C)c3[nH]2)[C@@H]1c1cccnc1 1802496495 IYPYQNXBVMIWGJ-WIOPSUGQSA-N 458.606 5.183 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1803605663 GHNOAKLPZLEJBC-YSGRDPCXSA-N 499.986 5.028 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c1 1803682674 KCYZLMCMLQKXFO-CODKJTEISA-N 490.818 5.839 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C3)cc1C#N 1803840339 UOCXAILZOTUIJR-YLJCJYEASA-N 480.008 5.054 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803986161 PPDKUWPENMPKCN-MOUZIVPDSA-N 479.587 5.449 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)s2)[C@H]1c1cccnc1 1804460188 GZPAGZUIGMWYSW-ZJSXRUAMSA-N 453.652 5.083 30 20 JKED CC(C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C#N)cc3)C2)CC1)c1ccc(Cl)cc1 1804946835 PDADTZHVLGMBGF-HHHXNRCGSA-N 492.063 5.425 30 20 JKED Cc1snc2sc(C(=O)N3CCC4(CCCN(C(=O)CCc5cccc(C#N)c5)C4)CC3)cc12 1805327323 IGRSZDKRPWAJCH-UHFFFAOYSA-N 492.670 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(F)c(F)c3Br)CC2)C1 1805457765 PUNAWYKRQYCDSO-UHFFFAOYSA-N 495.408 5.341 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(F)(F)F)nc3ccccc23)[C@H]1c1cccnc1 1810025932 VWQNYDCUOKVSHC-WVMBUTMQSA-N 496.533 5.180 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)[C@@H]1c1cccnc1 1810503478 RFYGPRDRGXRGOD-KZJNQIRTSA-N 482.024 5.152 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc4c(c3)c3ccccc3n4CC)[C@H]2c2cccnc2)C1 1811427758 HPDGJAZQVTXCHQ-MUAVYFROSA-N 492.623 5.495 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3C3CC3)[C@H]2c2cccnc2)c(Cl)c1 1811753963 YBLDDLCBJACRMA-RLWLMLJZSA-N 484.987 5.117 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1812234574 YKEFHOHXFKXSQV-NTKDMRAZSA-N 479.024 5.528 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1812515675 DKSVDTZVIMSXKN-WPSZSDGUSA-N 474.432 5.239 30 20 JKED Cc1cc(C)c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c(C)c1 1813787541 QUXDKSDOMLWDQD-ATIYNZHBSA-N 487.003 5.165 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1813869663 MBQZNYQRSRZGMM-RBLMETTKSA-N 486.660 5.491 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1814067114 QVAMTAUAGCJTEL-QGQQZZQASA-N 477.571 5.225 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)n[nH]1 1816180320 PWOHCVDXYFATED-QGZVFWFLSA-N 495.958 5.358 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@]3(F)CCCCC3(F)F)n[nH]2)c1Cl 1818889182 CZHRXLXZINTELR-HTAPYJJXSA-N 493.917 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)[nH]n1 1819310036 OIDDMLTXCQSALO-VCZPOSNWSA-N 466.557 5.031 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820088970 FHRZOYWLYMFBBI-QFIPXVFZSA-N 483.572 5.446 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093199 BAIIDEVLEVMKQW-IERDGZPVSA-N 489.601 5.070 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)n[nH]1 1820212689 LCHLCJPYJFKMGB-QHCPKHFHSA-N 490.007 5.209 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncccc2SCC)n[nH]1 1820396347 FGOJVVSGTCMSDL-SFHVURJKSA-N 455.628 5.215 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821107160 IRFJLFVFQFGBEA-FZKQIMNGSA-N 479.806 5.344 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)[nH]n1 1821925024 LBYZLMRPODKSMJ-DYESRHJHSA-N 492.542 5.649 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3c[nH]c4ccc(F)cc34)n[nH]2)cc1 1822261257 ZDYLUVXLCBFZPG-VWLOTQADSA-N 498.562 5.035 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)n[nH]1 1822314466 DZMXEGXYJGKUKL-HXUWFJFHSA-N 468.001 5.117 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1)c1ccc(O)cc1 1822469092 GASUUACTIXYUMN-ZJSXRUAMSA-N 462.594 5.051 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1822582743 WRKKMTCXNHIUAS-LJQANCHMSA-N 491.817 5.325 30 20 JKED C[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CC1 1822943135 PCSILHNNYOGWCV-WJPUGNRLSA-N 487.526 5.432 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823215721 BPOODAOCQCIGFY-GAJHUEQPSA-N 459.525 5.104 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(C)ccc23)n[nH]1 1823566562 ZYJDAHUSIUKEDM-ZOBSEURRSA-N 457.578 5.099 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 1823683760 IJZNFMHXTNUHKR-SANMLTNESA-N 478.036 5.007 30 20 JKED CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCC1 1823709649 MBVHXXOMVBUZCN-NRFANRHFSA-N 461.528 5.001 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824839599 LOEZPZRQDITLBS-CZQLGGELSA-N 480.596 5.258 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1824956177 CLVBARLWVGGYNO-QHCPKHFHSA-N 479.086 5.038 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824957459 ZPNBPWUVHIDBMF-AREMUKBSSA-N 460.618 5.032 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1 1826680537 FXXNCHOYHMDEQE-OAQYLSRUSA-N 465.981 5.137 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C(C)(C)C#N)CC3)c2c1 1827299896 WVIPUWWNEBLIHH-HSZRJFAPSA-N 493.648 5.423 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734455 FRLTUROMOYHCRF-QFIPXVFZSA-N 452.982 5.247 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1827854316 DZSQWMHSKYDFPM-NRFANRHFSA-N 473.495 5.026 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1828822642 LCSXPWDEDWQPQT-ZEQRLZLVSA-N 476.583 5.636 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1828829480 IJUZQUGGKRHEPX-MLCQCVOFSA-N 468.604 5.743 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 1828830233 RZTUSECSHCULHM-RPBOFIJWSA-N 450.623 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cnc2C)CC1 1829066199 URKOCOAJLYHHPO-QFIPXVFZSA-N 490.486 5.378 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1829521008 PEPZLGRSZKKDEX-NDEPHWFRSA-N 496.586 5.306 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829563500 SUMOUVXNKMNGJB-VWLOTQADSA-N 455.602 5.416 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c1Cl 1829689340 BCGXMEGNMUWTTF-HSZRJFAPSA-N 475.976 5.505 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)CC1 1829819689 SCGNJDIACHSMOZ-QHCPKHFHSA-N 456.675 5.252 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829955070 CKWLHSPRUJEIFJ-GCJKJVERSA-N 467.660 5.034 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1 1830360016 CUILINZNIPXMPI-MUUNZHRXSA-N 489.635 5.226 30 20 JKED O=C(c1cncc(F)c1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602448 ZBGSSQXNVJUSPT-LJAQVGFWSA-N 495.598 5.168 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1830681572 RUWZEVJIPNLLFV-IZZNHLLZSA-N 494.676 5.486 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1830721327 BWXFCZKTBTYNID-QPPBQGQZSA-N 454.014 5.191 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSc3ccc(F)cc3F)CC2)c1 1830765649 WDYZKZXPAVXJKI-DEOSSOPVSA-N 497.611 5.171 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc5ccccc45)CC3)c2c1 1830826007 SINYLJWRAHKZNG-MHZLTWQESA-N 491.595 5.135 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1 1831747831 WYYKBZMUAVGQEH-NOZRDPDXSA-N 476.752 5.192 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831750248 UNKCRFVCZYWCQW-JOCHJYFZSA-N 461.433 5.058 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831844013 YIFGNEBSHDCPSB-OXQOHEQNSA-N 461.027 5.152 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1831855853 OXILBURUJOSRMD-RUZDIDTESA-N 456.590 5.039 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1)c1ccc(O)cc1 1831924661 KOXNZXIGJHCYKV-UQHINCPXSA-N 490.669 5.284 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1 1832024834 JKOYHAFLXGIXLL-NRFANRHFSA-N 464.528 5.012 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)c1 1832632213 MQLOSCQABXZYQX-GBXCKJPGSA-N 453.602 5.219 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 1838390917 XGAAYSUUWSVOSQ-UHFFFAOYSA-N 489.132 5.003 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)CC1 1838571521 KFHWMGZKCZAEPH-UHFFFAOYSA-N 488.628 5.285 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)CCCCCC(C)(C)C)CC3)CC2)c1 1838768658 ZGQNVQXRQAWXTP-QHCPKHFHSA-N 495.708 5.922 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)C1 1844675669 QKBDHHDDEQSCRI-HSZRJFAPSA-N 453.586 5.192 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)c(N(C)Cc2ccccc2)c(F)c1 1847531540 HEEVZKTWJUBWHR-UIOOFZCWSA-N 493.598 5.185 30 20 JKED C=CCn1c(SCC(=O)NCc2cccs2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10438384 VFMDRAPPRHGAPW-UHFFFAOYSA-N 485.631 5.229 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(NCCc3cccs3)s2)sc2c1CCCC2 10916646 YZZINLDZIPQRCZ-UHFFFAOYSA-N 475.690 5.187 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2ccc(SC(F)F)cc2)c1 11113459 HHLRBBCZIKNMET-UHFFFAOYSA-O 460.595 5.603 30 20 JKED CCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nc2ccccc2c1=O 16056800 HUGIIBXVGXJXLH-HNNXBMFYSA-N 466.632 5.128 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)n(Cc2ccc(F)cc2)c1C 16617538 WQPBPHGTMHKOHW-UHFFFAOYSA-N 495.967 5.598 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16913043 IFHLWWCKSJQYHO-KRWDZBQOSA-N 493.585 5.257 30 20 JKED C=CCn1c(SCC(=O)NCCc2c[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1Cl 19014659 KZNMPZZJKUHFJW-UHFFFAOYSA-N 486.428 5.370 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 21683248 YVFRNFAGBVVWKU-SJORKVTESA-N 480.659 5.030 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccc(Cl)cc2)cc1 22129169 ZSKIEMZHZPCMAA-VOIUYBSRSA-N 484.025 5.131 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(OCC)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22731385 BLCAKXZYCJYVPP-UHFFFAOYSA-O 477.650 6.120 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)NCc2ccc(OC)cc2)cc1 23603033 XIBDTHFGAMTFQH-UHFFFAOYSA-O 464.655 5.560 30 20 JKED Cc1cc(C)c(C#N)c(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)n1 24479131 OJXZBIAHIFHJRC-FQEVSTJZSA-N 456.527 5.379 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)nc2cc(Cl)ccc2c1=O 26047797 LURALJRUECVEQW-UHFFFAOYSA-N 482.974 5.086 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)Nc1ccccc1Cl)C(C)C 32324866 KQZRMMGKJXJLEH-OAQYLSRUSA-N 474.989 5.591 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccccc1OC 32326415 UFJWFNYUVBVSRV-HXUWFJFHSA-N 456.999 5.549 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)N(C)Cc4ccc(C#N)cc4)sc3[nH]2)c1 32617847 BBWPSIRDNSLZIE-UHFFFAOYSA-N 488.638 5.346 30 20 JKED C=CCn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1-c1ccccc1OC 68738187 OJJFRPIVNGJASO-UHFFFAOYSA-N 490.408 5.306 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccnc3OC3CCCC3)c2)cc1 71928552 WRSHSMYFNYCUSH-UHFFFAOYSA-N 456.546 5.370 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 71944553 XFJVUIOBFJUPAC-UHFFFAOYSA-N 451.526 6.159 30 20 JKED COc1ccc(-n2c(SCCCCC#N)nnc2-c2cc(Cl)ccc2OC)cc1Cl 195533178 JNEYYEVCJNPDCC-UHFFFAOYSA-N 463.390 6.044 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc(-c2ccncc2)cs1 195662784 VLIPMXVWOXWUGC-INIZCTEOSA-N 479.359 5.432 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2C(F)(F)F)cs1)c1ccc(F)cc1F 212761584 JZHJFAJGHCPACK-CLFYSBASSA-N 452.404 6.021 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)nnc2-c2ccncc2)cc1 219880202 PVDYBYYHXKWMRY-MRXNPFEDSA-N 486.626 5.179 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1c1ccccc1OC 254393547 IAINEHHJRGAURT-QFIPXVFZSA-N 495.988 5.522 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccncc1 255929546 HEDMAHDEVSMQIT-GFCCVEGCSA-N 467.904 5.318 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c2ccccc21 255936690 CVQVLJFCNCKLKW-UHFFFAOYSA-N 463.872 5.245 30 20 JKED Cc1nc(COc2cccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)cs1 303130642 BVNCWZFEWFPLIJ-SANMLTNESA-N 469.566 5.604 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nc2ccccc21 303182105 XLHIETXWGMWPDK-XMMPIXPASA-N 451.530 6.089 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 303210155 QTXHZCCCEIZKGQ-UHFFFAOYSA-N 461.953 5.089 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)c2ccccc2)c1 481021086 XOBYYNJQNMPJMX-UHFFFAOYSA-N 454.979 5.388 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cc2F)c1 481076368 LZHVJVSUCCWXRS-UHFFFAOYSA-N 494.526 5.012 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCC3CCN(Cc4cccs4)CC3)cc2F)c1 481688971 SSPIGVIBQXBSPJ-UHFFFAOYSA-N 478.593 5.372 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 501022664 QVOLXMQIGWCHCX-UHFFFAOYSA-N 466.324 6.279 30 20 JKED COc1ccc(COCc2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)cc1 502435819 CIZJWCVDPKQSCS-UHFFFAOYSA-N 468.509 5.708 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 503068803 MIBZLFWJKMSCEB-UHFFFAOYSA-N 459.571 5.018 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 507651560 UMZJTUIMGSOPTI-UHFFFAOYSA-N 498.007 7.009 30 20 JKED CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)[C@H](C)c1ccc(C#N)cc1 509576213 UKGWYBJYBWBTTQ-LJQANCHMSA-N 451.526 5.199 30 20 JKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510024608 USJQFARTIFWHSB-KOSHJBKYSA-N 470.964 5.801 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 510231824 WQGZTTPLGDOZNN-UHFFFAOYSA-N 461.521 6.472 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc2ccccc2n1C(F)F 511459206 GJNQSCQPRDVEEB-OAHLLOKOSA-N 474.471 5.438 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511499189 MCOCHBOSBYCTKN-VWLOTQADSA-N 484.556 5.032 30 20 JKED C=CCOc1c(Br)cc(CNCc2nn(-c3ccccc3)c3c2CCC3)cc1OCC 513632054 MLLOLGBRDBKJGZ-UHFFFAOYSA-N 482.422 5.377 30 20 JKED N#Cc1c(NC(=O)c2cccnc2SCc2cccc(Br)c2)sc2c1CCCC2 514501873 CALSAXIJTMFADY-UHFFFAOYSA-N 484.444 6.201 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1nc2cc(Cl)ccc2s1 515540347 LWUPGFWHPINEOC-WIYYLYMNSA-N 473.941 5.382 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc(-c3ccccc3)nc21 515540530 ZEGZMTUKIPLJLG-KRWDZBQOSA-N 456.456 5.353 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1nc(-c2ccncc2)cs1 517891279 SAZRRNBSZONZHD-INIZCTEOSA-N 493.342 5.303 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccc(Cl)cc1 518652756 BDUUCSFKNYFYKU-OAHLLOKOSA-N 472.039 5.743 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 519441209 FXAAMBVKEROXAM-RTBURBONSA-N 463.628 5.728 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc1 519991986 CPFYSCMJGCKHLL-UHFFFAOYSA-N 466.463 5.619 30 20 JKED C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 522470194 JXGSFYAVMGFMQS-IBGZPJMESA-N 459.521 5.159 30 20 JKED CCc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523966754 IGHRDQBWDNOOIA-UPVQGACJSA-N 473.960 5.136 30 20 JKED C=CCN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc(C(=O)OCC)cs1 524465549 HFCVERJQQUTYAH-UHFFFAOYSA-N 475.979 5.120 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Cl)c(I)c1 603739094 PTRZJPWYWNIRES-UHFFFAOYSA-N 489.700 5.564 30 20 JKED N#C[C@H](C(=O)c1ccc(I)c(Br)c1)c1nc2ccccc2s1 603835765 TUQCQNVBRPLJES-SNVBAGLBSA-N 483.128 5.153 30 20 JKED CN(CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)c1ccc(Br)o1 604026853 VTMZDQCUNSQVHR-UHFFFAOYSA-N 488.725 5.070 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1 604102579 KACOHAHLYOBJHY-UHFFFAOYSA-N 452.495 6.176 30 20 JKED Cc1nc(O)cc(-c2ccc(NC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)n1 604448328 YZXRLNGWYNQNPS-UHFFFAOYSA-N 451.486 5.252 30 20 JKED CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609054833 IMACGQKJAOISRM-UHFFFAOYSA-N 486.355 5.528 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)cc2Cl)c1 609062907 JSLCTCZQRPGRIY-UHFFFAOYSA-N 475.932 5.157 30 20 JKED N#CCn1c(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)cc2ccccc21 609162993 LSPPZAYUUWQQPM-UHFFFAOYSA-N 482.924 5.010 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccccc1 609371535 NHTUJYHLTLURHY-MSOLQXFVSA-N 465.648 6.041 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 609400187 PNBVQIQITPWWPE-UHFFFAOYSA-N 497.542 5.598 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 609403994 AMBARSMXAKYOSD-IBGZPJMESA-N 461.509 5.403 30 20 JKED CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1 613290548 FJRKLSCONNOLIZ-JOCHJYFZSA-N 475.957 5.203 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1NC(=O)c1ccccc1F 613402984 AHCJIZQMHRPQJD-KRWDZBQOSA-N 497.473 6.505 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)c(C)c1 613424516 VKMAZOFANRVGKT-QGZVFWFLSA-N 456.999 5.433 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 619365091 ZIZCIWDDPCLJRW-STQMWFEESA-N 480.380 6.221 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642465611 WADIHSPZWGQIGP-VXGBXAGGSA-N 488.354 5.922 30 20 JKED COc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC(C)C 726096348 WOFIGZKJPIRVQV-UHFFFAOYSA-N 461.537 5.405 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCC4)CC3)n2)cc1 726324831 HKJJJXXJEDABNW-LZBANZJXSA-N 460.603 5.113 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 726401570 TVYZODSSFLSUBZ-LAUBAEHRSA-N 474.026 5.342 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC[C@@H](C)OC)c1 726402060 VTNAUXGISXSSDZ-HOYKHHGWSA-N 491.613 5.234 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C#N)c(Cl)c1 726404925 AJUCDZPOJWFDTM-SFHVURJKSA-N 492.910 5.377 30 20 JKED CCc1c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)[nH]c(C)c1C(C)=O 726571334 TVPPYEIZGMIYKO-UHFFFAOYSA-O 465.986 5.224 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2ccc3c(c2)CCCC3)cc1Cl 726571976 QCAHONWOAZTLDI-UHFFFAOYSA-O 491.980 5.609 30 20 JKED N#CCCCOc1cccc(/C=C2\SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)c1 726802266 YSOLQVRYRJEERY-MOHJPFBDSA-N 477.655 5.235 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728052819 OAASFULXEWJREF-UHFFFAOYSA-N 485.975 5.644 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(Cl)ccc(C)c1Cl 728429603 JHSMCZLGKNXLEL-MRXNPFEDSA-N 484.380 5.048 30 20 JKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1ccc(N=C2NS(=O)(=O)c3ccccc32)cc1 728540543 UXFYIOKJCIWQDM-UHFFFAOYSA-N 489.503 5.254 30 20 JKED CC(C)N(C(=O)COC(=O)c1cc2ccccc2n1CC#N)c1ccc(Nc2ccccc2)cc1 729769252 QFRBICYYEFALGC-UHFFFAOYSA-N 466.541 5.507 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1 729887990 AAMAWCMESWOIGK-HKUYNNGSSA-N 455.942 5.034 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1F 730461016 JWSIPDNTSOQBFI-IBGZPJMESA-N 479.499 5.666 30 20 JKED O=C1COc2ccc(C(=O)/C=C\c3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)cc2N1 730588024 FFJHRZDFFYDOJL-YVMONPNESA-N 450.834 5.268 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 731071812 RGVBPHYVEMRBSW-GOSISDBHSA-N 486.553 5.180 30 20 JKED C[C@@H](CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1)c1ccc(F)cc1 731306592 NGXQHAVVZAEGOV-SBUREZEXSA-N 477.561 5.295 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S 746055988 NRAOIDDWGXUZLV-UHFFFAOYSA-N 468.630 5.512 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)o2)cc1 746418113 LITPBKVROJVBMR-INIZCTEOSA-N 465.481 5.561 30 20 JKED C=C(C)COc1cc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)ccc1OC 747063321 HMIZYRDQXFQIRN-VCHYOVAHSA-N 473.957 5.308 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cs1)c1ccc(F)cc1F 747614901 OZEBUODXBHMMND-UXBLZVDNSA-N 499.930 5.545 30 20 JKED CCOc1ccc(-n2c(-c3ccc(Br)cc3)nn(CN(CC#N)C3CC3)c2=S)cc1 747789463 ZEFKGYFNLQOVGU-UHFFFAOYSA-N 484.423 5.177 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 748104364 DQJOFOXQSHKNHW-HSZRJFAPSA-N 476.939 5.124 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1ccccn1 837283682 GRZGZQJFKBTSLC-VGOFRKELSA-N 494.567 5.698 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)c1 837546339 MONJFHAATHUBGG-AUSIDOKSSA-N 458.587 5.420 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3ccccn3)C2=O)c1 837712815 DBRDCMPTVGRFDJ-AOMKIAJQSA-N 495.004 5.465 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 915102293 VQYRFRJDRYOONA-XLIONFOSSA-N 467.953 5.331 30 20 JKED C=CCc1cc(OCC)ccc1OC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 916100215 YDFBEPRCSVQSSX-UHFFFAOYSA-N 491.363 5.026 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3cc(F)ccc3F)cc2OC)cc1 916134909 SORSALKZHFOMSP-UUILKARUSA-N 467.468 5.286 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1 916204513 HBBKOEFNXVXQTJ-KRWDZBQOSA-N 486.808 5.254 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccco3)C2=O)cc1OC 916204565 HGQMXAALHVGXJP-QHCPKHFHSA-N 493.585 5.074 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2C(F)(F)F)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 916229862 MBZUYZGSRFRYHW-AWEZNQCLSA-N 495.832 5.626 30 20 JKED Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=Nn1c(C)nc2ccccc2c1=O 916292751 JZNROPICVUESLS-UHFFFAOYSA-N 453.477 5.013 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 916905251 JNBKKYPXIKFVMV-SFHVURJKSA-N 469.324 5.542 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 916954616 JLSOZGWVHJMUNL-DNVCBOLYSA-N 463.559 5.302 30 20 JKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996427 MFEZIDAVAIHGRL-BZNIZROVSA-N 478.382 6.382 30 20 JKED COCCOc1cccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)c1 917143180 IHSPFMGVQCOGTA-QJOMJCCJSA-N 463.961 5.887 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CCC#N)CC(C)C)ccc1Cl 917363841 DODGJPXFKVRZMB-UHFFFAOYSA-N 494.444 5.387 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917658246 CHSSMHRZNQAQAB-VXNXHJTFSA-N 490.673 5.199 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 918034235 KWWFQIYUKJDJDF-REWPJTCUSA-N 473.964 5.273 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)n2)cc1 920140709 BDITUZKJUSNJBY-ZCYQVOJMSA-N 480.545 5.763 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(F)c(Cl)c2)no1 920354995 JGTNNXJLBNEXIF-IBGZPJMESA-N 490.919 5.075 30 20 JKED N#C[C@@H](COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Cc1ccc(F)cc1 920879715 JEGDQWODWDUKEP-CYFREDJKSA-N 464.924 5.266 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3cccc(F)c3s2)C1 1778562785 BTUUCJKPGWMIIA-QFQXNSOFSA-N 472.626 5.160 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)CCCc4cccnc4)CCC3)cc2)c1 1786041188 CFHFSBIUWAMRJZ-UHFFFAOYSA-N 466.585 5.043 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCCC(=O)OC(C)(C)C)cc3)CCC2)c1 1786163135 MLZJXMRYSRZZKJ-FQEVSTJZSA-N 489.616 5.573 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](c3ccccc3)N(CC)CC)CCC2)cc1 1786367204 DSGFJFZMGHYJIJ-MHZLTWQESA-N 477.649 5.186 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)c(Cl)c3)CCC2)cc1 1786369348 ZDWRCJKCCCJVIP-UHFFFAOYSA-N 462.924 5.349 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786573847 UIGCHRPJSLXTEY-FQEVSTJZSA-N 491.579 5.122 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1786679509 OHBAMUHCCSLENZ-UHFFFAOYSA-N 454.979 5.753 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786697699 JYDLCECIAOMIBH-UHFFFAOYSA-N 453.970 5.183 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1)c1ccc(O)cc1 1788343648 PIGBFOXXUPDRRC-NRFANRHFSA-N 493.563 5.478 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cc(C)n1 1788839924 XPRUGBPABPRVTL-UHFFFAOYSA-N 472.976 5.539 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4cc(OC)ccc4n3)cc2)CCC1 1789028069 BECCXOBOMWODCB-UHFFFAOYSA-N 455.558 5.185 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)ccc5[nH]4)cc3)CCC2)cc1 1789231389 BZOQXULXHPPLQY-UHFFFAOYSA-N 466.516 5.169 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)CCC2)cc1 1789448629 FHNVRYHLNKDPQB-QHCPKHFHSA-N 492.616 5.157 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1789514796 BGQZVQMFRITPQH-UXHLAJHPSA-N 490.007 5.108 30 20 JKED Cc1cc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)no1 1789574748 NONUYZAVKGRCIM-IENJSVCTSA-N 454.530 5.071 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789957577 BYQSTGBOONUFSW-NDZAJKAJSA-N 478.552 5.208 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1 1790188106 WCGPVZGFAKCPLX-UHFFFAOYSA-N 489.519 5.586 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)F)c4)CCC3)cc2)ccc1F 1790519309 NNKWZQYGGVCRSR-UHFFFAOYSA-N 478.474 5.020 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)c4ccco4)CCC3)cc2)c(Cl)c1 1790767641 FCCUHIKAVZRQDT-UHFFFAOYSA-N 469.875 5.344 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5o4)CCC3)cc2)c(Cl)c1 1790767815 NYBHVSGRCSEGFO-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)[S@](=O)c3ccccc3)cc2)CCC1 1791062114 UUFJMUAAYFIUIS-BPJXYHRLSA-N 464.631 5.085 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791251579 LVLCPTUUVHEUJM-PCCBWWKXSA-N 483.653 5.368 30 20 JKED CCOc1c(F)cc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)cc1Cl 1792233334 FLICNKQGMQLYLY-UHFFFAOYSA-N 469.944 5.319 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c3ccccc13)C2 1798334601 FFZJHZSKKUYBDY-YRPNKDGESA-N 481.434 5.623 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CCOCC1 1801587358 KCOFYKKBLLZUPP-NUNAXRQHSA-N 473.057 5.019 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C(C)(C)C)nc3)[C@H]2c2cccnc2)c1 1802343910 XDGFJCUENHQELO-ZJSFPPFMSA-N 495.627 5.035 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[C@H]2c2cccnc2)C1 1802416354 JSYYZHMMNOPNJC-IDISGSTGSA-N 496.636 5.577 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1802743074 UARXVENSLTVKHK-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1)C(F)(F)F 1803228990 SQTQJCSDDNAESM-BAGYTPMASA-N 493.957 5.299 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)nc4ccccc34)CC2)C1 1806065872 FGJNTCBDMFZOEY-NRFANRHFSA-N 493.595 5.053 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1806067210 KVMJCQMGEAIEKE-DEOSSOPVSA-N 464.631 5.385 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810173143 FSGSYAYBHPQEIJ-VIZSFHNOSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)[C@@H]1c1cccnc1 1810497905 JCGXRRPXLNBHSR-YADARESESA-N 462.569 5.014 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 1811936166 MNVUMQURIMOUED-QXKGQSRSSA-N 490.563 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[C@H]1c1cccnc1 1812428030 VZDLKWGSCBVBTC-GPXOXTDOSA-N 497.083 5.036 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)c(F)cc3nc2Cl)[C@H]1c1cccnc1 1812591243 CFBKIWLBDUUGPR-YGJVYZRNSA-N 498.961 5.093 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1812672034 PJMVZCJLAMFPEC-AVRDEDQJSA-N 496.385 5.238 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)C(C)(C)Cc3ccccc3)[C@H]2c2cccnc2)c1 1813863381 JFSKUQIQRRDKLE-OFEZKSIWSA-N 494.639 5.297 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(Br)c2)[C@H]1c1cccnc1 1813980200 JFHCTEVVRNXMAA-HZUJVAHNSA-N 490.829 5.029 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@]3(F)CCCCC3(F)F)n[nH]2)c(Cl)c1 1818891077 WZYSRCHDWDKIGF-GCJKJVERSA-N 493.917 5.158 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1819384896 AGQUFVJLSVXOAV-LJQANCHMSA-N 482.682 5.574 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(-c3cnco3)c1)CC2 1820100814 PEONBZPJULLXPU-SFHVURJKSA-N 464.591 5.016 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821046657 CZWDXOMTJDTKBQ-LADGPHEKSA-N 478.618 5.462 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1821986737 WQIYJQUKSJUPRM-QGZVFWFLSA-N 471.533 5.051 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CC[C@H](C(C)C)CC3)n[nH]2)c1 1822104183 KOQNFLGPIYEDSA-YOSAUDMPSA-N 477.609 5.058 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)[nH]n2)c1 1823211714 GVNYLEVEYYRELX-KUHUBIRLSA-N 485.466 5.268 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823217388 RHUQMZQMWFRXMX-OPAMFIHVSA-N 477.515 5.243 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)c(Cl)c3)n[nH]2)c1 1823311361 YEENSQMIGDQFSS-QGZVFWFLSA-N 491.766 5.189 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)c(F)cc4nc3Cl)CC2)C1 1823702569 RRZURTMZESWCIJ-HSZRJFAPSA-N 487.978 5.366 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)Cc3cccc(Br)c3)CC2)C1 1823703103 NRGSVAKHTBJTLX-DVECYGJZSA-N 487.482 5.214 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1 1823899524 ZGJORFUHUKMTFQ-HSZRJFAPSA-N 471.935 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1824146330 WPBJFBQXAQDQDS-DEOSSOPVSA-N 468.638 5.014 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1824536165 ZYIKWVKTBKJBNU-RPWUZVMVSA-N 471.642 5.009 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1824545440 VMEVKFFIZVNCAP-PMACEKPBSA-N 474.564 5.032 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2F)CC1 1824728511 VYXFZGVPGFEDCV-NRFANRHFSA-N 462.707 5.172 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1824960492 OEUGCPDCKSKSHY-HXUWFJFHSA-N 463.713 5.028 30 20 JKED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)CC2 1825130002 GLCLGNGIKNYAKR-RDJZCZTQSA-N 474.586 5.322 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)s3)CC2)c1 1825353110 SHYBUEWKDCKSSS-LAUBAEHRSA-N 453.583 5.061 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826264061 INODJCZFLRZYSP-DNQXCXABSA-N 489.701 5.046 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1828356472 IZWOLEKXEUAZCL-QSRYBZNWSA-N 481.596 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 1828821678 PNJFUPKYBWUIMJ-IEUSDUHPSA-N 464.650 5.079 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2OC)CC1 1828829501 IMIMEERPJHVFCW-NZQKXSOJSA-N 459.030 5.350 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)CC1 1828984289 MSZRFOHIEKKPBN-XNMGPUDCSA-N 465.682 5.494 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1 1829068104 FBMKJHHDNWJXNY-AREMUKBSSA-N 461.650 5.389 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829409215 JQVBTIUAJZIDKG-CTNGQTDRSA-N 497.989 5.756 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1830016512 HDPXLFDCFHTPQZ-DEOSSOPVSA-N 474.992 5.240 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1830399087 WYEOQCATLAUHEY-GOTSBHOMSA-N 491.717 5.292 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492061 LTDKCKGSBUOAHA-AREMUKBSSA-N 478.658 5.631 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(Cl)cc1 1830627673 HZDCEQTZZYSHSW-FQRUVTKNSA-N 478.036 5.443 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)s1 1830633035 BPXSNBICVFTNRJ-CJZRDCOESA-N 461.631 5.069 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1830795278 MMGQWZMAAXKECI-QHCPKHFHSA-N 478.555 5.055 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1830899149 ICANBQHFQHHMSQ-AREMUKBSSA-N 492.736 5.100 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1)c1ccc(O)cc1 1830910284 HSCUVSWQBZGYNW-LEAFIULHSA-N 498.623 5.569 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)C1 1830977905 JJNIYMWGBYUCSV-VWLOTQADSA-N 471.601 5.627 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1831201259 WWSZWALNRKJKIG-HSMPBNSZSA-N 499.655 5.659 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1831446870 KKABLLZRWMHAPE-JOCHJYFZSA-N 475.967 5.333 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCc2ccc(F)c(Br)c2)CC1 1831861572 UTUBCLMKKJPMND-HSZRJFAPSA-N 493.461 5.497 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1832030783 ZNSJNUHUPPZUQK-RUZDIDTESA-N 452.639 5.291 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832199794 AYBLFMMWAWNELO-PUHFUULOSA-N 470.617 5.045 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 1832629207 LRALJOAJXQRDOQ-BVZFJXPGSA-N 481.999 5.653 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c1 1832632217 MVDRXEKDDBWDBF-CLOONOSVSA-N 486.641 5.470 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832635490 HSWWRRFXUHROJN-CJAUYULYSA-N 481.999 5.653 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1 1832635703 PEPAHDPRSDGYGF-LYZGTLIUSA-N 469.629 5.738 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1832922526 RHKGJWQMEWCRKS-SGNDLWITSA-N 489.701 5.068 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 1838662534 RMLHXDXSSQBCES-UHFFFAOYSA-N 488.628 5.285 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CC1 1838694932 NTAWGCOEUWRZLM-FQEVSTJZSA-N 496.598 5.456 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC2(CCCN2C(=O)C2CCC(C(F)(F)F)CC2)C1 1841799673 RXDHCAZQDQXLCQ-UHFFFAOYSA-N 480.424 5.030 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041614 KPIFPEIDIZEVAL-QGZVFWFLSA-N 461.612 5.281 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(F)c(Cl)c1 10756707 XMNZHSFVOLWEEQ-UHFFFAOYSA-O 472.993 5.527 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760368 VAAVJJHGZDPTLJ-UHFFFAOYSA-O 459.010 5.725 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 11153554 FSWURMKFJTXWOB-UHFFFAOYSA-O 479.669 6.849 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccccc2C)cc1 11165507 BVVPCIJHXHKQBE-UHFFFAOYSA-O 451.615 6.563 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)NCC#Cc4cccc(C(F)(F)F)c4)c(=O)c23)cc1 24507706 NQZBTTWBSUFLTQ-UHFFFAOYSA-N 495.526 5.010 30 20 JKED C=CCN(C(=O)c1cn(Cc2ccccc2)nn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 25042345 UJQWZJQWMGETKD-UHFFFAOYSA-N 470.385 5.590 30 20 JKED C=CCn1c(SCc2csc(Nc3ccccc3)n2)nnc1[C@@H]1COc2ccccc2O1 25677114 NJFQMTCQEQJTSC-FQEVSTJZSA-N 463.588 5.469 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 31286472 SOPVHZXZZDVBGQ-GOSISDBHSA-N 463.759 5.115 30 20 JKED COc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4F)n3)oc12 58304189 SACTUUYQCDAFGW-VQHVLOKHSA-N 454.454 5.757 30 20 JKED COc1ccccc1-c1nnc(SCCOc2cccc(C#N)c2)n1CCc1ccccc1 59404947 KIYZEDONVGBWQR-UHFFFAOYSA-N 456.571 5.239 30 20 JKED C=CCc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC 59813014 AQILSTNRHIAGNM-QGZVFWFLSA-N 462.521 5.315 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 195630706 PTBAQJZNOOMHPR-UHFFFAOYSA-N 491.263 5.095 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1 302971297 OBJBZUVHDGKEJA-IAPPQJPRSA-N 467.569 5.488 30 20 JKED N#C[C@@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(OCc2ccccc2)cc1 303180047 CTOUUUCPXPEDIB-XMMPIXPASA-N 470.504 5.158 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 492196403 UGMCSJQZFLTSPL-UHFFFAOYSA-N 471.623 5.253 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)cc1 498862806 CTHODIBZEDDSTB-UHFFFAOYSA-N 461.974 5.173 30 20 JKED COc1ccc(-c2csc3ncnc(N4CCC(C(=O)Nc5cccc(C#N)c5)CC4)c23)cc1 502293902 TYCPUCCVVUFUMW-UHFFFAOYSA-N 469.570 5.094 30 20 JKED CC(C)n1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1Cl 502596191 PIMDYJJPOQXXIT-AWEZNQCLSA-N 466.438 5.656 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)cc1 503530224 CCJYXSBNKHVRAS-LJQANCHMSA-N 457.461 6.242 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1 503730643 ALINIGKPEPWCAH-UHFFFAOYSA-N 469.541 6.107 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 508251235 NHULVIAHPUITJI-UHFFFAOYSA-N 486.547 5.353 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 508273645 LGMRMPBKNURJDK-CVDCTZTESA-N 456.546 5.316 30 20 JKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 509307303 VINNEZGQSSCTRB-UHFFFAOYSA-N 463.990 6.096 30 20 JKED CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC)[C@H](C)c1ccc(C#N)cc1 509571410 LPXBNWKLMJQKJH-OAHLLOKOSA-N 488.444 5.845 30 20 JKED CCOc1ccc(Br)cc1CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1 509618086 BYVRTIPQTVJYHO-UHFFFAOYSA-N 456.384 5.845 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 510024400 SAFXIDOMNGLRLP-UPVQGACJSA-N 475.976 6.382 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc(-c3ccccc3)nc21 514030235 CJCHWLWOLRGYNH-UHFFFAOYSA-N 478.581 5.850 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(Cc3ccccc3)n2)cc1 515651524 UUBXHDPSJDMUDE-UHFFFAOYSA-N 453.567 5.560 30 20 JKED CCc1cc(C#N)c(NC(=O)COc2c(I)cc(Cl)c3cccnc23)s1 515708744 CLOKOWWHJBEJFV-UHFFFAOYSA-N 497.745 5.006 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1ccc(F)cc1 516045917 UANPPTDBFXGWOL-SBUREZEXSA-N 463.940 5.683 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2c(s1)CCCC2 516073424 ULLURJDDGQSUOD-MRXNPFEDSA-N 478.445 5.400 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SCc4nc(C)no4)cc3)n2)cc1 516270179 OSJJAKUJIDEYFZ-IBGZPJMESA-N 462.556 5.293 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 517451066 GJECYHSCEPZSMQ-UHFFFAOYSA-N 464.594 5.455 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(F)cc1 517465721 DFOVJRWWEMYOGF-LJQANCHMSA-N 481.515 5.692 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 518668834 OWBWQSCHBYWBSK-LJQANCHMSA-N 475.639 6.230 30 20 JKED CCCNC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Cl 518895446 CLMJPUFFLRGELF-UHFFFAOYSA-N 463.969 5.126 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1 519486623 SFDDXDBHQSARNK-DEOSSOPVSA-N 461.587 5.088 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 519994578 FCCAUJCUCSGLIK-UHFFFAOYSA-N 471.538 5.434 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1)c1ccc(C#N)cc1 521255802 NEYIGHRCONDPDG-CQSZACIVSA-N 454.313 5.473 30 20 JKED CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521742966 VBMGWCIEEYJJCO-RDJZCZTQSA-N 455.546 5.371 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(F)c(Cl)c2)cc1Cl 522496706 HKLQOOHCPWELGS-SFHVURJKSA-N 456.304 5.043 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2cccs2)cc1 523925881 RLALURABKHBJOK-UHFFFAOYSA-N 487.537 5.181 30 20 JKED C=CCN(C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12)c1nc(C(=O)OCC)cs1 524315369 AHMJUXNISZDAPT-UHFFFAOYSA-N 466.519 5.072 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(=O)Nc1cccc2ccccc12 524440623 WWRYFSPSPYAPKM-UHFFFAOYSA-N 464.525 5.359 30 20 JKED CC[C@](C)(C#N)NC(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 563900279 MODYPMXMKXTABP-HSZRJFAPSA-N 476.046 5.225 30 20 JKED Cc1ccc(-n2c(SCC(=O)N(CCC#N)c3cccc(C)c3C)nnc2-c2ccncc2)cc1 574223051 TZXATCFGDGTPTP-UHFFFAOYSA-N 482.613 5.294 30 20 JKED O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591518370 PUMVDXXYMFDHKJ-JZYVYDRUSA-N 485.322 5.392 30 20 JKED CCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)c1ccccc1OC 603618932 YBLNZYCMOQQKLQ-SFHVURJKSA-N 462.550 5.031 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 603829017 OCWSLVGGAFEFJK-OAQYLSRUSA-N 486.963 5.087 30 20 JKED CCCCCn1nc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c2ccccc2c1=O 603991744 OJNLNIGISQNHBW-UHFFFAOYSA-N 468.582 5.538 30 20 JKED CCc1nc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2nc1CC 604004229 XGWHGCGSTSSVEJ-UHFFFAOYSA-N 450.542 5.652 30 20 JKED CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604193327 GUEUURQIQDNOQW-XMMPIXPASA-N 472.932 5.171 30 20 JKED COCCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 604461388 QSTZJBQTSDHNHP-SFHVURJKSA-N 461.518 5.267 30 20 JKED CCc1c(C)sc(NC(=O)c2ccc(Br)cc2I)c1C#N 609031662 SOJYVOJBIRQKSN-UHFFFAOYSA-N 475.149 5.110 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)c3ccc(I)cc3Cl)c2C#N)C1 609054542 WEHMWRMQOZBYDG-VIFPVBQESA-N 456.736 5.255 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 609063296 XGRAUEYZQFERJJ-UHFFFAOYSA-N 481.892 5.358 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc2)c1 609065052 TWRFPXBBTZSIKK-UHFFFAOYSA-N 453.523 5.703 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(OC(F)F)c1 609086271 QTXZMRQRLGDNGN-HNNXBMFYSA-N 499.901 5.208 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)C2)c1 609173743 WVHFUXQUWVJARA-NAKRPHOHSA-N 481.596 5.116 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 609371206 AUBKPTKAXOCXRE-GFCCVEGCSA-N 450.511 5.707 30 20 JKED CSCc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)oc2ccccc12 609378319 DKYCYKJINQBGOS-UHFFFAOYSA-N 450.507 6.573 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1Br 609388118 IPQIRPHCIBGLJM-AWEZNQCLSA-N 499.883 6.247 30 20 JKED Cc1ccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 609404938 XUYLJJBKPGKADD-IBGZPJMESA-N 459.571 5.294 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 609435281 BVZKHNSSFAOOLY-IRXDYDNUSA-N 473.440 5.491 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 615614584 MDMMMVAPXDYSAO-XMMPIXPASA-N 487.575 5.854 30 20 JKED Cc1cc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc(C(F)(F)F)n1 622517582 METFEFFPIAVJRW-CQSZACIVSA-N 487.322 5.055 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 622584936 NUCGHEXNXKFXCP-BLVKFPJESA-N 465.413 5.282 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc(OC)c1OC 622916827 LHUBGRHZTLNQPG-UHFFFAOYSA-N 477.483 5.121 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 642033487 PQJWKULACPWQAC-UHFFFAOYSA-N 465.381 5.722 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(-c3csc(C)n3)cc2)cc1OC 675207625 SHVSGLBADXZVNU-UHFFFAOYSA-N 459.409 5.744 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CCCC2)cn1 726112285 NXJUKSCVFICOEW-SFHVURJKSA-N 493.605 5.121 30 20 JKED C=CCOc1c(Br)cc(/C=C2/SC(=S)N(c3cnn(CC)c3)C2=O)cc1OCC 726196903 GGNZDMOAQVIECI-LICLKQGHSA-N 494.436 5.035 30 20 JKED N#CCCCOc1cccc(/C=C(/Cl)c2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)c1 726743574 MGKWCHOEOQDOMY-CPNJWEJPSA-N 465.937 6.210 30 20 JKED O=C(COC(=O)c1cc(F)c(Cl)nc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 727521787 RDXNNZFQHZBFPY-UHFFFAOYSA-N 479.135 5.361 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC)c2cccnc2)c1 727745995 FUSVRLZEDPPXFN-UHFFFAOYSA-N 490.412 5.436 30 20 JKED N#CCOc1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 727939400 LPBLOZFIITVUTN-JOCHJYFZSA-N 458.949 5.355 30 20 JKED N#Cc1cc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)ccc1F 728179920 KJOLBZSWHVLSJL-UHFFFAOYSA-N 471.460 5.282 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 728184406 ACLOOQOJSVROPL-UHFFFAOYSA-N 475.520 5.553 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 728778144 BUUACMVSWBMQMI-IBGZPJMESA-N 475.401 5.648 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)cc1 729146628 VCBOSIVHWDOEML-FQEVSTJZSA-N 482.606 5.314 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2c(C)cccc2C)cc1 729667621 MRBVJEBXTXCERP-UHFFFAOYSA-O 479.622 5.925 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2F)c(F)c1 729819280 XSHFLNZLPVSNTB-QFIPXVFZSA-N 494.498 5.136 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 730565786 YKVOUOAYXRCERT-UHFFFAOYSA-N 465.619 5.322 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(N2CCCCC2)cc1 731039916 DBMPGWCLAQMMLE-KRWDZBQOSA-N 476.568 6.141 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731063998 OFUFPZSVUINBRF-OAHLLOKOSA-N 468.966 5.024 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCCc1ccccc1 731313550 ZGZRNANVIVDKSB-VWLOTQADSA-N 498.608 5.247 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731313551 ZHNYABMBPGKKSR-HSZRJFAPSA-N 491.613 5.321 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)NC1CCN(Cc2ccccc2)CC1 745724018 JRFMRDAUFALHTL-UHFFFAOYSA-N 472.633 5.552 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)CCC4)C2=O)cc1OCCCC#N 747473160 VUSCZJPQSJNWRR-HMAPJEAMSA-N 450.585 5.272 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1 747602265 ZEUPXWQMAILUKG-NRFANRHFSA-N 499.061 5.882 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnc1-c1ccccc1 749794073 OUBFWDQIESFTSX-NLFFAJNJSA-N 481.625 6.302 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 838089424 BDRWFCCNZNURCC-DVECYGJZSA-N 488.613 5.510 30 20 JKED Cc1nc(COc2ccccc2C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)no1 914889426 USASFBTYCGLKPC-UHFFFAOYSA-N 453.498 5.014 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915087295 RZBSTMKHGOLNDG-HSZRJFAPSA-N 458.924 5.940 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCC(C)C 915785642 RWQQQQUPKCNUPX-CPJSRVTESA-N 485.584 5.201 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(C3CCCC3)C2=O)c(OC)c1 916207743 JVLTWWCGUZXYET-QHCPKHFHSA-N 481.618 5.224 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccco2)C1=O 916208591 MAUKARMNMLTYSD-HXUWFJFHSA-N 471.941 5.541 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2)cc1 916213162 AMUMZKGDBSWGDN-JOCHJYFZSA-N 481.524 5.134 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916888614 YGZRXGVNMVHYKN-HXUWFJFHSA-N 465.481 5.215 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916905054 LPCNKNVBOFIJOL-GOSISDBHSA-N 479.517 6.310 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3c(CC)cccc3CC)s2)cc1 916905989 GGPSRTJHECFGHG-NRFANRHFSA-N 461.587 5.603 30 20 JKED COc1cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1c(C)noc1C 916916462 SZYRURGGVYGETE-GQZPPLQUSA-N 495.535 5.393 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916923397 NWDSKPYGLGUZFO-GOSISDBHSA-N 479.876 5.400 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1ccc(Br)cc1 916928853 WEAGTQDRBGHYCH-OAHLLOKOSA-N 492.160 5.211 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1Cl 916940313 XWAFEUNBSOFKRX-SFHVURJKSA-N 478.961 5.078 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977163 LOWXHGUYWAEYEB-PKTZIBPZSA-N 485.996 6.201 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)[C@H]1c1ccc(OC)cc1 917046480 KIFAEHVPFLFSOM-MZLICYQSSA-N 496.032 5.915 30 20 JKED C=CCN(C(=O)/C=C/c1ccc(Cl)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 917369375 DXLFKKNALVZCIW-AWNIVKPZSA-N 458.992 5.099 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cnn(-c2ccc(Br)cc2)c1 917535924 NOVHGWXVECGBGU-UHFFFAOYSA-N 490.386 5.264 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(F)c(Br)c2)cs1 917559414 IRTWHAYYNMDUJC-UITAMQMPSA-N 463.303 5.765 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 917664680 LMDZFCSQWZQIKU-SFHVURJKSA-N 480.417 5.299 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCCC1 917701712 AXUBHQAKKZTKPQ-HXUWFJFHSA-N 486.519 5.480 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(Cc2ccc(C)s2)C(C)C)c1=S 920083707 FAPLKSPMQAUEGC-OAQYLSRUSA-N 456.637 5.351 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccc(C)s1 920168290 KBHUGNWDQSOGFB-ZHRRBRCNSA-N 497.617 5.926 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cc(C)on3)C2=O)c1 920352589 QANZZKRAHPRPAH-QFIPXVFZSA-N 476.602 5.377 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)c(F)c2)C1=O)Nc1ccccc1F 920357180 WDVNWBJVCSSYLX-NRFANRHFSA-N 469.488 5.264 30 20 JKED N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 920805191 ATUNZQGQVYUEIJ-ZDUSSCGKSA-N 454.445 6.076 30 20 JKED N#C[C@@H](C(=O)c1cnc(S)n1-c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 920806369 KDYRGJFBXJJHIL-ZDUSSCGKSA-N 456.474 5.192 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 920869249 NWGSYXSVFSCIPU-VGSWGCGISA-N 471.598 5.192 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 921233904 ZOIGJAIYYIRNTI-UHFFFAOYSA-N 453.321 5.389 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(OCC(F)(F)F)cc2)cc1 921258894 RNDHGQYCVZXESL-UHFFFAOYSA-N 450.486 5.093 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4cc(Br)ccc4c3)CCO2)C1 1779242397 XHDXYUYLMIEPSW-AREMUKBSSA-N 499.449 5.038 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4csc(-c5cccnc5)n4)CCC3)cc2)cc1 1785880660 MUDXUDHPKHLXSU-UHFFFAOYSA-N 493.592 5.067 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)CCC2)cc1 1786395277 VZUPQLBLTYQZNA-FQEVSTJZSA-N 490.551 5.055 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)c3ccccc3)cc2)CCC1 1786612010 SGCOJIKHWWXROC-PKTZIBPZSA-N 495.595 5.301 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5o4)CCC3)cc2)c(O)n1 1787173315 ZQBFRTUYFWXUCC-UHFFFAOYSA-N 482.540 5.109 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(N)c(Br)cc3C)cc2)CCC1 1787950172 DQBVTXIQXURMHO-UHFFFAOYSA-N 492.364 5.299 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3Cl)CCC2)cc1 1788029531 IKEKIYFSFIJQFY-UHFFFAOYSA-N 473.404 5.023 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5nc(C)ccc5o4)cc3)CCC2)c(C#N)c1 1788322877 USVWLZVJFJESCA-UHFFFAOYSA-N 494.551 5.007 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)CCC2)cc1 1789451245 CYGBCEIFPVVITD-KNQAVFIVSA-N 469.626 5.192 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4CNc5ccccc5O4)cc3)CCC2)c1 1789474857 FHYUJZLZMZHHGO-NLFFAJNJSA-N 494.595 5.325 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)Cc3c(C)noc3C)CCC2)cc1)c1ccccc1 1789602431 SIAHXZGFRWEWTB-RUZDIDTESA-N 469.585 5.165 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3cc4cccnc4cc3F)cc2)CCC1 1790473335 TWODPFMRIYOYCE-UHFFFAOYSA-N 475.564 5.033 30 20 JKED C#CC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)CCC2)cc1 1791201993 FLJUUPIASICXEY-UHFFFAOYSA-N 463.459 5.148 30 20 JKED C/C(=C\c1cccnc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1791852951 YYRLXNDXZXIZBX-OBGWFSINSA-N 470.960 5.458 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(F)ccc4C(F)(F)F)cc3)CCC2)CCC1 1792174019 HITCNEHLWZMMKO-UHFFFAOYSA-N 459.443 5.286 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc(CC)cc1 1796871881 ZTSXVTAWIADCQI-HKNOCEQDSA-N 497.680 5.055 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncccc1-c1ccccc1)C2)c1ccccc1 1798553494 MTJBKEYASFKPIL-RVUATISTSA-N 477.608 5.198 30 20 JKED O=C(CCCC(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1Cl 1799224821 LNTMNKVYRVJRMO-ZSBIGDGJSA-N 488.831 5.482 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccncc12)c1ccc(C#Cc2ccccc2)cc1 1800913546 SRCFGNXWEHPWOR-OUOZDZGXSA-N 485.587 5.200 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)c4c(nc3c1)CCCC4)C2 1801637675 LWSPHNYMIJWGAF-FFGOWVMKSA-N 466.025 5.231 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)ccc3s1)C2 1801638082 DDCJZTLTXFHQDO-RUGDWHBFSA-N 461.425 5.128 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2)C(F)(F)F 1801702023 OPHWGMRGAJTQFH-CIAFKFPVSA-N 478.461 5.255 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 1802068290 DYNJNFGTPKUEGG-PVIWCNJMSA-N 473.455 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1802493813 YCTJSEIZOOTHTP-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCNc2ccc(C)cc2C)[C@H]1c1cccnc1 1802499927 UNHMYQRIDKXUJT-IGKIAQTJSA-N 476.665 5.199 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1802501096 SPNAVJLCBAGIRB-RDGATRHJSA-N 498.067 5.834 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)[C@@H]1c1cccnc1 1802503272 NCXYGCIPGMOZLI-SQJMNOBHSA-N 458.606 5.183 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc5c(ccc6ncccc65)s4)CC3)C2)C1 1804779533 RUVBZLRXEUAFPB-UHFFFAOYSA-N 459.615 5.261 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)cc1 1809759158 VFCYFJZSTDWIHD-GBXCKJPGSA-N 486.622 5.057 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@]2(F)CCCC=C2F)[C@@H]1c1cccnc1)c1ccccc1 1810446659 FXBMXBKWKSUODX-KZXHITELSA-N 491.582 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1810494350 DVBUNGXMDDSHNY-ZRCHRNFPSA-N 470.617 5.275 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810498437 MCXKZXPGCXPIBN-YADARESESA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1810502175 MMJFDLFHRZMXRC-HTAPYJJXSA-N 475.967 5.325 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@@H]1c1cccnc1 1812591210 UWEIRMBFQXAGSV-LUQKVYGDSA-N 495.929 5.165 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)cc12 1813866462 RZYIZWPPVBPRSN-ZQSLEGLSSA-N 491.595 5.132 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813977092 YOGFOOOJNJFXEQ-YSSFQJQWSA-N 499.986 5.028 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813977339 ITAPFVQUMAZACX-PXARDIRTSA-N 480.823 5.574 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCc3ccc(C(F)(F)F)cc3)[nH]n2)C1 1814391884 BNOWDOZKFCAQOP-OAQYLSRUSA-N 474.527 5.410 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)[nH]n1 1819385627 WWJOOYSAXLYCFI-IBGZPJMESA-N 493.606 5.114 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)c(OC)cc(OC)c2F)[nH]n1 1819553875 XOACESFSWKLQGL-MRXNPFEDSA-N 490.551 5.003 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)c1 1820563097 PULSOBUVORWRDD-ZHRRBRCNSA-N 461.953 5.310 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC(F)(F)C3)[nH]n2)cc(C(F)(F)F)c1 1821308687 ZVJHOEUPTSUXTM-KDOFPFPSSA-N 495.452 5.041 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1821921493 URJNEAGDIGIWOO-HNAYVOBHSA-N 465.520 5.329 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)[nH]n1 1821986886 RDIKDYZCVXKVQD-AOIWGVFYSA-N 462.928 5.070 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1)C(F)(F)F 1821993619 IPEQKPUMFGRKQS-GOSISDBHSA-N 477.874 5.036 30 20 JKED C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1)c1ccccc1 1822039430 VGISRSQDFCWWQG-CJFMBICVSA-N 469.589 5.100 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1)c1ccc(O)cc1 1822466107 OASQQPWJMWYWAV-WIOPSUGQSA-N 476.621 5.275 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)ccc1F 1823292154 DBFLLODCPHKKBV-HSZRJFAPSA-N 489.551 5.136 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCCCC(F)(F)F)cc3)CC2)C1 1823701130 ANTXHFZCKNLFBX-XMMPIXPASA-N 492.582 5.607 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1823811167 GVECEAGHQXJFGJ-HHHXNRCGSA-N 487.644 5.212 30 20 JKED O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056711 CNQNPHKBXPBAIB-JARJBNJMSA-N 467.053 5.138 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(-c3cccnc3)n2)CC1 1824141655 YYKMOWWRYXZZKS-XMMPIXPASA-N 478.662 5.207 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1824509732 FUDFJNUXANCHSX-IIBYNOLFSA-N 486.962 5.183 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)ccn1 1825429772 ASOHDEDUDLJCRN-AREMUKBSSA-N 486.660 5.117 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)oc3C(F)(F)F)CC2)c1 1825961505 WSRAHVBACKSWNI-JOCHJYFZSA-N 487.522 5.334 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSc3ccccc3)CC2)c1 1826524099 VRTSWDODOHGYOH-QFQXNSOFSA-N 475.658 5.339 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1827299867 UPTBEAMIEXXKHU-VWLOTQADSA-N 492.660 5.677 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccn4c3)CC2)c(Cl)c1 1827405505 XOGLOLZLIVSOMM-JOCHJYFZSA-N 481.021 5.073 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732567 DYRCGRQLZVMRIM-JOCHJYFZSA-N 487.065 5.753 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)nc3ccccn23)CC1)c1ccccc1 1828067334 AAHUFMFLOSHCOO-RRPNLBNLSA-N 496.655 5.073 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(Br)cc2C)CC1 1828823233 QKHMOBCAUKYSLG-VXKWHMMOSA-N 488.470 5.154 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1828885728 PUEHDYSVMVOXCL-BDYUSTAISA-N 490.644 5.285 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC=CO2)CC1 1828898488 XEHMDZBNSMHFFL-WDYNHAJCSA-N 482.624 5.012 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828906255 CBVCJMAUKWXSKI-DHLKQENFSA-N 498.706 5.575 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C)cc3Cl)CC2)c1 1829684327 PFGVXFZPCUHDRD-RUZDIDTESA-N 480.008 5.076 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3cccc(F)c3)CC2)c1 1829952042 AWTMQOCWVAIFBR-MHZLTWQESA-N 496.586 5.306 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)CC1)c1ccc(O)cc1 1830089302 QKSGQJKAPSRQJX-AMGIVPHBSA-N 494.582 5.101 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)cc1 1830578726 OEPGJGQJVITGSF-DEOSSOPVSA-N 467.972 5.092 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1830663242 DCTBZOKKAHIMCE-XMMPIXPASA-N 497.998 5.297 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)ccc2n1 1830718923 OWNAKGPOYYBPKK-MHZLTWQESA-N 484.575 5.101 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c(Cl)c1 1830722471 JVERGPMHVQIRDI-HXUWFJFHSA-N 476.429 5.474 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3c(O)cccc23)CC1 1831021913 CSSQVLZWRZGPIR-HSZRJFAPSA-N 463.622 5.166 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)CC1)C(F)(F)F 1831453592 GPBAVWOVTAXRFK-AZUAARDMSA-N 468.947 5.108 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699577 HJCFQFNXZVLMOF-GRDXZWITSA-N 483.612 5.299 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCCC3)CC2)cc1C#N 1832701655 NQJLWZXPDQOTAX-SANMLTNESA-N 479.665 5.549 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1832736313 BIZPVAYNXKBAED-XMMPIXPASA-N 488.072 5.524 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1832922527 RHKGJWQMEWCRKS-SMIHKQSGSA-N 489.701 5.068 30 20 JKED C#CCCCCC(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1846490345 SFAGEALFVVQGLU-UHFFFAOYSA-N 484.518 5.508 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 1847225918 JMEGZLKLPFHHTE-GOTSBHOMSA-N 470.491 5.279 30 20 JKED C=CCn1c(SCC(=O)OCc2cc(=O)oc3cc(CC)ccc23)nnc1-c1ccc(Cl)cc1 9414479 GRQFHAHEBUZJGG-UHFFFAOYSA-N 495.988 5.289 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836744 FOTYRDWMADYUSZ-UHFFFAOYSA-O 494.414 6.908 30 20 JKED N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)c1ccccc1 15280900 XYTKRPZTCIYBAA-UHFFFAOYSA-N 472.614 5.326 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1 16407209 WEFCQSCAXNGCQA-NTUHNPAUSA-N 451.906 5.271 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3coc4ccc5ccccc5c34)s2)cc1 21055990 CQRYKEWZUVUHKJ-UHFFFAOYSA-N 456.552 5.783 30 20 JKED COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 23341368 ASBQZGPTBTYLMO-INIZCTEOSA-N 453.593 5.026 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CC)CC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 23626078 ZQJUJXBKRNMUKH-OAHLLOKOSA-N 459.612 5.108 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 24284154 NCJYUCFMQDINCK-UHFFFAOYSA-N 479.465 5.043 30 20 JKED COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCCCCC#N)cc(OC)c1OC 25394721 ICBWUUONFBRUSC-CAPFRKAQSA-N 486.568 5.988 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2sc(C)c(C)c2c1=O 28392957 NZSZUDPOAKEORR-UHFFFAOYSA-N 487.956 5.664 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)ccc1Cl 29499858 INMAAYBZYWOLIE-UHFFFAOYSA-N 472.039 5.266 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nnc1-c1cccc(C)c1 31843621 DXANMQHJNBDPLU-UHFFFAOYSA-N 464.616 5.873 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1Cl 107876913 XFOZDWFIVYFWCZ-HYBUGGRVSA-N 499.954 5.023 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 109620305 UXYFGVDPIPADSZ-UHFFFAOYSA-N 479.964 5.100 30 20 JKED COCc1nc(N2CCCN(Cc3ccc(C#N)cc3)CC2)c2c(-c3ccccc3)csc2n1 109683938 KOKYRXXXTCPUAU-UHFFFAOYSA-N 469.614 5.089 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2ccc(F)cc2C#N)cc1Cl 112529989 QHVUXOMQGPYRTJ-JAIQZWGSSA-N 483.977 6.098 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 195662754 RQPDZLUDTZSGAU-INIZCTEOSA-N 451.349 5.107 30 20 JKED C=CCN(C(=O)c1csc(-c2ccccn2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 195702603 PWJDEUQLWRWBCU-UHFFFAOYSA-N 473.410 6.468 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)cc1C 255294693 AHGMTYRVRGBVGS-QFIPXVFZSA-N 480.540 5.137 30 20 JKED COc1ccc([C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N2CCCC2)cc1 255941389 QUBBUQGETJXOKQ-SANMLTNESA-N 471.626 5.426 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 302980659 PUTFSWREKCDFCM-AHKZPQOWSA-N 490.525 5.353 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 303009924 OMBSLTOCDIWURC-AWEZNQCLSA-N 454.313 5.414 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 303050384 XXSREGACKIJBNX-UHFFFAOYSA-N 470.598 5.277 30 20 JKED O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1nnn(-c2ccccc2F)c1C(F)(F)F 303128158 OSELBOIGVFTWQZ-UHFFFAOYSA-N 497.168 5.459 30 20 JKED C=CCn1c(SCC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 409560047 ADVISEMWYWJRPO-OFNKIYASSA-N 483.037 5.161 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(OCC(F)(F)F)c(C#N)c4)cc3)o2)cc1 481880370 HRARLVFVSAFSRY-UHFFFAOYSA-N 478.430 5.777 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 484281196 OVUVLASMHMYGRL-UHFFFAOYSA-N 452.514 5.282 30 20 JKED Cn1c([C@H](C#N)C(=O)c2cc3cc(Br)cc(Br)c3o2)nc2ccccc21 492630432 QHINUUDZWZDUIV-GFCCVEGCSA-N 473.124 5.335 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 500750772 BRECXHQKYJTMBZ-UHFFFAOYSA-N 472.526 5.450 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(COCc2ccco2)c1 502720961 JFIRIZIRHFAGBK-UHFFFAOYSA-N 485.334 5.047 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)ccc1OC(F)F 508278835 LULZUUNVTFHBCJ-UHFFFAOYSA-N 497.498 6.023 30 20 JKED C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 509559658 MMGCNQILILNZJH-HXUWFJFHSA-N 490.554 5.521 30 20 JKED COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 509646575 NJUWVJDAVQCOQZ-IBGZPJMESA-N 475.353 5.236 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 509671888 HALJRFXPGBSGAS-NRFANRHFSA-N 477.467 5.195 30 20 JKED CCc1ccc([C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N(C)C)cc1 511309763 YUHXCMCYBJVQNN-MHZLTWQESA-N 456.590 5.318 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cc1 511385789 VPOJMZZODWFJJZ-IBGZPJMESA-N 459.546 5.073 30 20 JKED Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)n1 515775663 PZKFEJBAAYJPFO-REWPJTCUSA-N 487.991 5.582 30 20 JKED CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 515893275 UMTHZSQEXFDBHS-UPVQGACJSA-N 495.048 5.195 30 20 JKED CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515919324 LVCWDRGYJDQJKQ-RSXGOPAZSA-N 489.019 5.133 30 20 JKED C=CCN(C(=O)c1cnc2onc(C(C)(C)C)c2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 517280104 YZFHQGRSYKCDES-UHFFFAOYSA-N 463.519 5.385 30 20 JKED Cc1cccc(COc2ccc([C@@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c1 517467242 RBPJVJIMWVQALS-NHCUHLMSSA-N 487.625 5.642 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 518140280 WRNWSVHLFANECR-GOSISDBHSA-N 465.600 5.016 30 20 JKED COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 518742990 HJVRVXZDLIQYNZ-QGZVFWFLSA-N 481.599 5.143 30 20 JKED C=CCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc(-c2ccccc2)cs1 520402770 CFLICDSTWOUZII-UHFFFAOYSA-N 465.376 5.591 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 520408658 IZNZFSXFNOUUFP-GFCCVEGCSA-N 453.907 5.353 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521312582 CGOYZHLQORTEGG-AREMUKBSSA-N 453.542 5.289 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3c4c(nc5ccccc35)/C(=C/c3ccco3)CC4)CC2)c1 521512924 SKKDDKURUOGULV-DYTRJAOYSA-N 475.548 5.870 30 20 JKED C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 521686368 YVQRUPGECKPINH-NRFANRHFSA-N 459.565 5.508 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2cccc(Cl)c2)cc1 522366283 HSNNLMUGIPAWNE-IMRHEYAYSA-N 480.996 5.060 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3occc3COc3cccc(C#N)c3)c2)cc1 523272799 GXGQHVIKHIBBOB-UHFFFAOYSA-N 465.509 5.221 30 20 JKED COc1cc2c(cc1OC)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CC2 524697722 YKHIYFFPRGNFKZ-UHFFFAOYSA-N 477.948 5.654 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CSc1nc(C)c(C)c(C)c1C#N)CC2 596749140 MAHARTAMKDILGQ-VWLOTQADSA-N 493.654 5.224 30 20 JKED N#Cc1cnn2c(O)cc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3-c3ccccc3)nc12 603722154 ONSLJKUAKBXZGS-UHFFFAOYSA-N 494.367 5.153 30 20 JKED CCN(C(=O)c1ccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)nc1)[C@H](C)c1ccc(C#N)cc1 603737455 INFPMPUTVMXDAM-NHCUHLMSSA-N 479.584 5.272 30 20 JKED CC(C)Oc1ccccc1[C@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603829948 UINSQVSLGHOTHA-HNNXBMFYSA-N 453.593 5.372 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCc4[nH]c5c(Br)cccc5c4C3)s2)cc1 604360876 JKWZQNOIAWGOOA-UHFFFAOYSA-N 492.402 5.440 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H](c3ccccc3)n3cccn3)s2)c(C(F)(F)F)c1 604517529 BXVHGMWBXHKIBN-HXUWFJFHSA-N 467.476 5.049 30 20 JKED N#CCCCOc1cccnc1NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 608882192 KHGOZTYICHVJIA-UHFFFAOYSA-N 480.355 5.726 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ncccc1OCCCC#N 608883117 WUCVZZLZHYBVFZ-UHFFFAOYSA-N 454.939 5.292 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccccc3Cl)s2)c(C(F)(F)F)c1 608928730 ZMSBKAMDTJEFCN-UHFFFAOYSA-N 457.886 5.079 30 20 JKED N#C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(OCc2ccccc2)cc1 609028714 NXDLGPDQZOFUOD-QFIPXVFZSA-N 490.972 5.442 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1-c1ccc(Br)cc1 609370780 XKHJSAKWUKQHIA-OAHLLOKOSA-N 487.448 5.760 30 20 JKED Cc1ccc(CCCNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1 609400012 BJOSLMDCBFRGQH-UHFFFAOYSA-N 463.525 5.016 30 20 JKED C=CCn1c(SCC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)nnc1-c1ccc(Cl)cc1 613929005 AZBSXBZGLRMMMA-UHFFFAOYSA-N 498.439 5.596 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@@H](C)c2cccs2)cc1 726576498 FBRKLZUVPZRGCD-SFHVURJKSA-O 466.652 5.312 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)O[C@H](C)c1cccc(C#N)c1 727639834 TUKHWFKBDUZXGL-CVEARBPZSA-N 475.595 5.862 30 20 JKED CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 728029610 ZXBWUJCOOASWDM-UHFFFAOYSA-N 469.969 5.376 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 728391576 VXCQLFIITVSJOG-OAHLLOKOSA-N 460.921 5.406 30 20 JKED Cc1cc(C)c(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)c(C)c1 728442328 PMJFCSYVXHVJOG-GOSISDBHSA-N 460.584 5.754 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(Cl)cc1 728776654 CYQQXPLUQLZZII-LJQANCHMSA-N 493.391 5.787 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)cc1 729145401 KVNLVERPEOWEBC-JOCHJYFZSA-N 492.670 5.791 30 20 JKED CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 729569223 KNMTWMNEKYUNPP-UHFFFAOYSA-N 484.984 5.312 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 729632789 ALLNFPZCPJHTEU-VWLOTQADSA-N 480.593 5.704 30 20 JKED C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C#N 729727235 OWXCQUFUFMIWSJ-AWEZNQCLSA-N 467.308 5.280 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](COc2ccccc2)c2ccccc2)cc1 730914992 DCICKGLZGOGDFY-VSGBNLITSA-N 475.548 5.217 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c1 731305680 GBPJKAIPYRWMJH-WZONZLPQSA-N 474.586 5.126 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)cc1C 731311044 VIRAAUBZDWUEIY-WZONZLPQSA-N 474.586 5.126 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCCC5)cc2)c1 731331560 JHLQHBXOBLOYNT-UHFFFAOYSA-N 470.554 5.511 30 20 JKED CCCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)nn1-c1ccccc1Cl 749048736 NSSCLWSWEXYNPJ-QFBILLFUSA-N 463.969 5.348 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 749337628 INLVAGRRMQVPAC-FQEVSTJZSA-N 490.441 5.645 30 20 JKED CC(=O)CCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 792231163 LFJWXSSCOUPUHL-CLFYSBASSA-N 466.559 5.150 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(F)(F)F)cc1 799218476 AIQWLVGPQUKACI-FQEVSTJZSA-N 471.504 5.671 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3cccnc3)C2=O)cc1 837387333 GQKRFFGAQWZGGZ-KOSHJBKYSA-N 486.597 5.314 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837776025 MQMLPXARCDPWQQ-SBUREZEXSA-N 492.576 5.341 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3cccnc3)C2=O)c1 837802153 BHAPGTQSSKNPPP-OPAMFIHVSA-N 495.004 5.465 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CC(C)C)C1=O 838521276 JCFYHQZGZJTUJJ-QFIPXVFZSA-N 469.607 5.100 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1 880532714 CBHSSWDCEWUTEU-UHFFFAOYSA-N 461.352 5.594 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(C)(C)NC(=O)c2cccc(Cl)c2)no1 904601363 UGOURTFINHOYAO-OAHLLOKOSA-N 469.369 5.097 30 20 JKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 907675451 YHZIHCSUDGWEJA-AWEZNQCLSA-N 489.753 5.164 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccc(F)c2)C1=O 914772691 LKCCEWVIOCIHFA-QFIPXVFZSA-N 499.514 5.273 30 20 JKED Cc1cc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)on1 915104437 QVLDCWCXCGCJTR-MRXNPFEDSA-N 473.501 6.394 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)NC2CC2)cc1 915683789 HLMZARBKWBUHNR-BVZFJXPGSA-N 453.546 5.509 30 20 JKED O=C(O)CCCOc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 916155315 TXMIOOCSJOTSKG-NTCAYCPXSA-N 453.498 5.074 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccco3)C2=O)c1 916206161 XDJOQRFXHMCUBS-HXUWFJFHSA-N 487.940 5.241 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CCCC2)cc1 916213834 GJNLHZZMDZDGFP-OAQYLSRUSA-N 488.009 5.260 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccn1 916217174 GZJPOQFHGWBXLZ-NRFANRHFSA-N 480.540 5.137 30 20 JKED CCOc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc(Cl)c1OC 916284104 LMJHONHNSXFALD-UHFFFAOYSA-N 453.951 5.376 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1Br 916887444 MUQWQYQYBITXND-OAHLLOKOSA-N 483.334 5.053 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 916906463 HPDYKXJGYMZFHM-HSZRJFAPSA-N 462.981 5.157 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 916916529 VJORCTVTPKFDRS-JOCHJYFZSA-N 493.485 5.058 30 20 JKED Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)c1 916928773 TYLNCQHYOYMBOY-HXUWFJFHSA-N 453.325 5.842 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)cc1 916942527 LTNYKUANNHADKI-KONDSOJQSA-N 462.502 5.092 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1 916974164 FOVCWHKJBUMKTQ-NRFANRHFSA-N 485.638 5.604 30 20 JKED N#C[C@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996180 HOLVWDBTHSRESR-QGZVFWFLSA-N 483.380 6.366 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1nc2cc(Cl)ccc2s1 917047326 WWOBSMTZVGMENQ-KRWDZBQOSA-N 480.018 5.435 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccccc2C(F)(F)F)C2CC2)c1=S 917473971 IOCLOYDSGWUYJZ-UHFFFAOYSA-N 474.552 5.917 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 917506703 FNCIQMGIFSWWBJ-GCJKJVERSA-N 459.546 5.041 30 20 JKED CCc1cccc(C)c1NC(=S)NN=Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 917544416 FMXDCBARMSETNE-UHFFFAOYSA-N 451.621 5.327 30 20 JKED CCOc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4)n3)oc12 917560446 YRYFLGNPRCWZKC-XFXZXTDPSA-N 450.491 6.008 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(OCc3ccccc3)c2)cs1 917560678 VPBUMNVBHZYSSN-QINSGFPZSA-N 488.996 6.956 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccsc2)cc1 917691946 YVAGEAFKKMQGDV-JOCHJYFZSA-N 495.626 5.316 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccccc1Cl 917699960 MFBUVQZNWZHGPR-QHCPKHFHSA-N 489.000 5.050 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccccc2Br)cc1 920105354 CPYAHBLCWRFLOH-FQEVSTJZSA-N 487.353 6.023 30 20 JKED CC(C)[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1nnc(-c2ccccc2)n1 920113572 YCUGJKJSANYBSD-MAUKXSAKSA-N 470.480 5.042 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cc(C)on3)C2=O)cc1 920355026 HBAWHQUWLAWCHF-NRFANRHFSA-N 498.992 5.196 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CCCO[C@H]2c2ccccc2)C1=O)NC1CC1 920357483 UUGDYWQEOBWRDV-OEOAZWSVSA-N 498.048 5.108 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 920372187 WMSPRWCIZSNNLX-UHFFFAOYSA-N 462.225 5.320 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 920877972 UQVWEPRIMCVVKF-HNNXBMFYSA-N 474.916 5.780 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1 1785800430 DDEOSQMXBYLAOR-ROJDOSBLSA-N 458.530 5.057 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1786144072 LZEJTARJVFEJBZ-OTUUDDROSA-N 493.648 5.287 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](S)C(C)C)cc3)CCC2)cc1OCC1CC1 1786395330 ZQQZLSQJDSTPIP-XMMPIXPASA-N 482.646 5.186 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3F)CCC2)cc1 1786548577 ZMFYJKHQRNJVIK-JOCHJYFZSA-N 481.568 5.043 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](N)c3cccc(Cl)c3)cc2)CCC1 1788053497 VKKARCGJHIJVHI-DHIUTWEWSA-N 451.998 5.242 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(C)snc4s3)cc2)CCC1 1788416919 MDRRZBUCLAQUOR-CQSZACIVSA-N 455.605 5.005 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789168728 KCWLLAHVJJEVOG-OFNKIYASSA-N 481.637 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)CCC1 1790089330 GWULLADHVFVXGK-HSZRJFAPSA-N 475.589 5.170 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cc2)CCC1 1790138183 RSYYVWAEALPLDV-UHFFFAOYSA-N 460.965 5.281 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)[C@@H]5C[C@H]5c5ccc(F)cc5)CCC4)cc3)c2c1 1790834685 RQUCDFCVYFJTNR-XZOQPEGZSA-N 493.542 5.125 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CN(Cc3ccco3)C(=O)OCC)cc2)CCC1 1791772365 NSHHTXFXZGFKGQ-UHFFFAOYSA-N 495.620 5.365 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccoc4)CCC3)cc2)cc1C#N 1792168815 HHDSLTFKYNEBQJ-UHFFFAOYSA-N 471.557 5.319 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(ccc5ncccc54)s3)CCC2)cc1 1792265411 WMECZJZNIGMPTD-UHFFFAOYSA-N 453.567 5.611 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(C(F)(F)F)coc1C)c1ccccc1 1797102425 PLWDRTIXBQZUSY-PLACYPQZSA-N 472.507 5.056 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)C3)c1Cl 1799305151 HWAPFSLQDVJIEP-MUJYYYPQSA-N 496.316 5.449 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)ccc3s1)C2 1801638081 DDCJZTLTXFHQDO-NKGKWGDASA-N 461.425 5.128 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1803092653 ZLCHJOBKNHLPKD-ATIYNZHBSA-N 479.596 5.096 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC2(CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)C1 1810296787 DIPYCVFXAGTMAA-UHFFFAOYSA-N 481.757 5.275 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 1810386624 GXWCUNYUSKIUFR-FQEVSTJZSA-N 499.577 5.824 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810718566 KPNXJBDLGFCDEY-YIXXDRMTSA-N 487.625 5.113 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810725966 ILFIRKOYLPYPJJ-DDZLNHKNSA-N 469.585 5.406 30 20 JKED CC(C)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811252208 UJXGNPMGSVFNDH-PQHLKRTFSA-N 479.624 5.237 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)cc1 1811532701 APJJOOMKYGFQDC-HANCOPLISA-N 495.627 5.047 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813977340 ITAPFVQUMAZACX-WDUKFBBWSA-N 480.823 5.574 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)[nH]n2)cc1 1814379508 BRHHEOPMUJTIEN-SANMLTNESA-N 494.599 5.020 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)[nH]n2)cc1 1814499033 LYARLTZAHGNHIG-DEOSSOPVSA-N 498.974 5.032 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1814568348 NDLOARGYZNKEGE-XMMPIXPASA-N 492.583 5.481 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCOc2ccc(F)cc2)n[nH]1 1814654516 PLGSZGFFVJCANN-NRFANRHFSA-N 456.562 5.002 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)c(F)c2)n[nH]1 1814674919 IXHDKHGZQKGFMQ-UWJYYQICSA-N 458.965 5.205 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814739475 XBYRXVLRSZSOCW-CPJSRVTESA-N 469.589 5.018 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938697 ZUVSWUDDPHHEFS-URXFXBBRSA-N 455.002 5.299 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1815245406 NGBPRNCHWJUFNI-CYFREDJKSA-N 491.617 5.207 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815653785 MFQCXOMBKDIVJX-IBGZPJMESA-N 485.009 5.548 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1 1816826777 GFRSHFQNMUBBAQ-SANMLTNESA-N 477.568 5.292 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)c1 1817590172 OTALOSRDIURCJK-AFMDSPMNSA-N 494.599 5.457 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819146710 DWNTURHICBXIJS-LJQANCHMSA-N 451.596 5.318 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1819310068 OUQVHQQWAFFGNZ-UWJYYQICSA-N 492.517 5.571 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)[nH]n1 1819385628 WWJOOYSAXLYCFI-LJQANCHMSA-N 493.606 5.114 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)cc1 1819965014 AVZOLHGCUGCAFS-KRWDZBQOSA-N 488.400 5.464 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)n[nH]1 1820109337 UCDUGPKUQGYLJS-VWLOTQADSA-N 494.599 5.453 30 20 JKED Cn1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc2ccccc21 1820219148 LHMGAHVOOAXPOC-NRFANRHFSA-N 486.963 5.046 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c1Cl 1820431210 XVIDJNLJGIAPLO-SFHVURJKSA-N 486.334 5.347 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)cc1 1820435019 TYQLSNPDEWTNFS-HXUWFJFHSA-N 482.371 5.402 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@](C)(OC)c2cccc3ccccc23)n[nH]1 1820702962 STVZIPJYNPNELQ-YIXXDRMTSA-N 492.645 5.036 30 20 JKED Cc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)s1 1821151074 DKJBLQMXMVFHBE-XMMPIXPASA-N 495.608 5.194 30 20 JKED CCOc1c(F)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1Cl 1821212794 JCIICQJTGPVAER-OAQYLSRUSA-N 495.942 5.092 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)cc1 1821273766 JBEBTWYBGPKVBR-DEOSSOPVSA-N 473.552 5.092 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821275030 VNLKRLXKWNSLOT-NRFANRHFSA-N 451.958 5.009 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c(Cl)c1 1821278169 GRXSUADEQFMCTC-WWOHXHCDSA-N 498.974 5.435 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)[nH]n1 1822400356 HJCPTSVSTSPBKS-LAUBAEHRSA-N 481.597 5.129 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)c1 1823210351 AGDYLYZQYPFXNI-JRKKULHRSA-N 459.575 5.118 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c1 1823211079 CFZFFIUBMWXUJE-QRWLVFNGSA-N 473.558 5.464 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823214616 GWZOZVSRMVIWTO-KDJGEDKASA-N 471.561 5.348 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)c1 1823218261 QHNNCNMGPXJOGM-OPAMFIHVSA-N 495.505 5.675 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(NC(C)=O)ccc2Cl)n[nH]1 1823326342 FXAIBSORAZIWBO-OAQYLSRUSA-N 486.016 5.320 30 20 JKED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1ccccc1 1823494347 NNMJPEZXFQOCCS-IIBYNOLFSA-N 461.953 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1824142106 FTBABSRXVXNXOD-BOMYWPOKSA-N 460.618 5.834 30 20 JKED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1 1824420007 IRZLECMTDDSGKL-OAHLLOKOSA-N 477.611 5.188 30 20 JKED CO[C@@](C)(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1)c1cccc2ccccc12 1824537581 DGZUHMOSXSFKNZ-WWPJHQMMSA-N 496.717 5.276 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)CC2)c1 1824864979 XEBQZCBMPCKNSS-LIKDZFNVSA-N 461.581 5.258 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccs2)CC1)c1ccc(O)cc1 1825315382 LWHMTKZBXFRISA-SQHAQQRYSA-N 492.685 5.203 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1)c1ccccc1 1825404458 KFHSJVMALCSPNG-AOYPEHQESA-N 493.598 5.450 30 20 JKED Cc1nscc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1825659433 DPUFJCUFQHZMBR-NDEPHWFRSA-N 497.664 5.398 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)CC1 1825687079 IKFZWBPPWSVZAQ-NHCUHLMSSA-N 463.544 5.102 30 20 JKED COc1ccc(F)cc1-c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC#N)CC2)c(Cl)c1 1826322497 XSOANBLYJNSGSE-XMMPIXPASA-N 497.998 5.302 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1826690375 VFSKRCCPCGCKIQ-HSZRJFAPSA-N 482.422 5.139 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827331794 GQHIAKPCQQZIHL-NVQXNPDNSA-N 490.648 5.091 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1828422132 NZIBEGHSNRVPOL-LXFBAYGMSA-N 478.677 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1828827793 VGFGSKCVRACSRR-GOTSBHOMSA-N 462.556 5.707 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689067 ZXBVJFKHFUFOBA-QHCPKHFHSA-N 493.051 5.451 30 20 JKED COc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC3CC3)CC2)cc2ccccc2c1Cl 1829707888 GVFOMEVJAGVXFM-DEOSSOPVSA-N 479.020 5.149 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 1830126916 YDFBQHABCHWODB-AWCRTANDSA-N 491.720 5.429 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C#N)c2)CC1 1830257545 SOESCZKXFKOMMN-QHCPKHFHSA-N 486.454 5.300 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccsc3)CC2)c(Cl)c1 1830720527 QQAILDLDWNTDLA-NKOINVLESA-N 468.022 5.220 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCCCC(F)(F)F)cc3)CC2)C1 1830795294 NARQTORBYHWLDN-XMMPIXPASA-N 492.582 5.607 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)CC1 1831860081 JXRYJRIZWXCZMW-HXUWFJFHSA-N 492.845 5.393 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1832030229 IRPLMDLFDXKNAX-SANMLTNESA-N 480.052 5.624 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832585602 UDYHVQOIXMQBBI-QFQXNSOFSA-N 473.617 5.178 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1832630161 GKZALHUPDLIDJO-KDYSTLNUSA-N 499.655 5.574 30 20 JKED Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634643 YITHVKAKWXAKLJ-FNZWTVRRSA-N 461.581 5.308 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc3occ(Cl)c3c1)C2)c1ccccc1 1844336505 SRXCEOBJFVCUGG-OAQYLSRUSA-N 460.961 5.100 30 20 JKED C#CCCCC(=O)N1CCCC12CN(C(=O)[C@@H](c1ccc(OCc3ccccc3)cc1)C(C)C)C2 1846374682 IUDURQSKILAWKE-MUUNZHRXSA-N 472.629 5.012 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc(Cc2ccccc2)cc1 10174401 VCGNSRPMHRQTFX-UHFFFAOYSA-O 485.698 6.857 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 10179230 CMHDIHPFPGEDFU-UHFFFAOYSA-O 452.333 5.918 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)c(C)s1 11159776 RWYJSJIWZDDJMB-UHFFFAOYSA-O 466.435 5.502 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(C(C)(C)C)cc2)c1C 11169054 IXAHQERRUGGJQM-UHFFFAOYSA-O 492.665 5.753 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2CCc2ccccc2)cc1Cl 15088646 JGYMYVSXTNKUPL-UHFFFAOYSA-N 494.045 5.429 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1ccc(Cl)cc1Cl 15421510 RHYIOBSMFBPUBI-UHFFFAOYSA-N 476.389 5.127 30 20 JKED N#CCc1ccc(NC(=O)CSc2nc3scc(-c4ccco4)c3c(=O)n2-c2ccccc2)cc1 20048213 SCZQPKJQTQEVME-UHFFFAOYSA-N 498.589 5.504 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1ccc(Br)cc1 22101161 NVZUWQNOFOKUOB-LBPRGKRZSA-N 478.803 5.061 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2cccc(O)c2)c1 22729592 CVQCQRAPEZZEKO-UHFFFAOYSA-O 456.385 5.110 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1ccccc1 23413085 KGOIQBUAJVPOTJ-KRWDZBQOSA-N 450.589 5.284 30 20 JKED O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)NCC#Cc1cccc(C(F)(F)F)c1 23500328 LPDVUNLRAXBRFD-UHFFFAOYSA-N 499.992 5.595 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CC2)nnc1-c1ccc(Br)cc1 24015608 QSAHLRFVVOZXIM-OAQYLSRUSA-N 483.435 5.253 30 20 JKED COc1ccc(CSc2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)s2)cc1 24967709 LCVVWFKEUUEWFR-UHFFFAOYSA-N 491.063 5.531 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)n1 26173246 GDHLPAXNSDEYJS-UHFFFAOYSA-N 478.546 5.908 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1C 28778704 WQKHARJKWROLSH-UHFFFAOYSA-O 486.488 7.246 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 32787122 RTFAXGGDQLIOPO-UHFFFAOYSA-N 489.670 6.105 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nc2sccc2c1=O 36748558 VUPSYWZIPXSMNG-UHFFFAOYSA-N 457.602 5.077 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2cccc(Br)c2)n(Cc2ccco2)c1C 112521768 GPMPUYUCGGVAQN-UHFFFAOYSA-N 458.381 5.501 30 20 JKED Cc1ccc([C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N2CCCC2)cc1 195745197 HYTCRPIFFDQOEG-AREMUKBSSA-N 455.627 5.726 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H](C#N)Cc2ccc(C)cc2)cc1Cl 213634240 GFVSOTPWHOKYRH-IDCRMVTHSA-N 494.041 6.330 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3C#N)n2-c2ccc(C)cc2)cc1 248133438 YCGYNOFNRLHLEX-UHFFFAOYSA-N 469.570 5.244 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 255930340 FSNOMHDMZWTXDT-ASXFNGKXSA-N 487.069 5.262 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)c2oc3ccccc3c2CSC2CCCCC2)CC1 302887977 INLHVNRHZKBFKZ-UHFFFAOYSA-N 460.603 5.228 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCCOc3ccccc3Br)s2)cc1 302943986 LXOLAVQHWURXCX-UHFFFAOYSA-N 456.365 5.166 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2F)c1 303143901 RMJJNIDUGRDPFN-UHFFFAOYSA-N 458.942 5.137 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(C)=O 303235353 ZWSLSDCMBFUTKX-ILBGXUMGSA-N 475.976 5.600 30 20 JKED C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1-c1ccccc1F 409998261 ZBAHUCLWFNBXAW-UHFFFAOYSA-N 452.536 5.415 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)c(OC)cc2F)nnc1-c1ccc(Cl)cc1Cl 410030929 SORCVHFZDZBOCR-UHFFFAOYSA-N 497.379 5.325 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 486713498 JNWRLLDFBOSZJK-UHFFFAOYSA-N 493.529 6.106 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1 487007037 AYOXSEWJAGNONN-RUZDIDTESA-N 455.627 5.145 30 20 JKED COc1cccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)c1OC 489479520 JZJGTXMOIXQCOS-WDUNQMNWSA-N 481.596 5.751 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 499889109 SWEMANLPODBYTN-JOCHJYFZSA-N 453.311 5.239 30 20 JKED COc1ccc(-c2cc(C(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)sc2C)cc1 500038384 QFBNEFKGWRHALG-UHFFFAOYSA-N 468.582 5.114 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 500751903 DJPOXXFPQKJXGQ-JOCHJYFZSA-N 471.532 5.218 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)c1C 501552777 QDRQBBAMMCSIOD-UHFFFAOYSA-N 487.654 5.575 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc1C 501868522 UEIJBMRGAKZLPT-GOSISDBHSA-N 465.395 5.204 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 505691897 MFVYRFFHCODOQI-UHFFFAOYSA-N 458.518 5.072 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1 506569562 CLVZHMRNGIBBPZ-XMMPIXPASA-N 461.587 5.375 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508252777 QXGPTJFMGNEDBH-DEOSSOPVSA-N 457.530 6.127 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cc1 508280104 PIXVJUPUUIHFGN-UHFFFAOYSA-N 498.583 5.013 30 20 JKED N#CCCCCNC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 509349542 YSBZPEGACAZGDO-IBGZPJMESA-N 451.423 5.147 30 20 JKED C=CCn1c(SCc2cnc(C)cn2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 511071494 FYCSHZFJOMUGNR-UHFFFAOYSA-N 464.598 6.045 30 20 JKED COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 511668080 QVFFNAJRDRYULY-SFHVURJKSA-N 450.589 5.159 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 513661192 QOUDZAPBLBESQP-IBGZPJMESA-N 486.528 5.157 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 516047298 CZVHHOQGFMDZJA-UHFFFAOYSA-N 482.367 5.520 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2csc(CC)n2)nnc1-c1ccc(Cl)cc1Cl 517903604 HYFMBTPKJSATIF-UHFFFAOYSA-N 482.462 5.208 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c1C 518662566 JXTAOZGRGFMFIQ-QGZVFWFLSA-N 476.602 5.099 30 20 JKED CCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 520515146 IZTRRQGOXDSSKS-HXUWFJFHSA-N 453.951 5.009 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)c1C 521769070 MIDMQTXVBLHUAZ-OAQYLSRUSA-N 488.396 5.406 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 521804283 UKOIIOUGPWUZBT-UHFFFAOYSA-N 467.504 5.727 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)c1 589552746 HEBLOICBTUBOSS-UHFFFAOYSA-N 457.559 5.162 30 20 JKED N#C[C@@H](C(=O)c1occc1CN1C(=O)Cc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 590880745 PVWKXVOMQIIJLN-INIZCTEOSA-N 481.455 5.487 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccco1 594527875 IAOQSRSZHPYOMU-VJANTYMQSA-N 493.658 5.882 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Sc1ccc(Br)cc1 603959682 POMYVZQIGNEAEF-HNNXBMFYSA-N 468.376 5.936 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)c(C#N)c(C)c1C 603988031 XTHWDLUUHMHLQM-AWEZNQCLSA-N 471.026 5.277 30 20 JKED CCOc1ccccc1NC(=O)[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 604044459 QIWIZWWFTXVKCB-GDLZYMKVSA-N 477.564 6.328 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CCCc3ccccc3)c3ccccc3)cn2)c1 604132913 ACBZFLCSXOAQOJ-MHZLTWQESA-N 490.563 5.564 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1Cl 604136622 CYXBLZWVRUCCFR-DEOSSOPVSA-N 496.954 5.438 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)cn2)c1 608841489 QSBFTJQENKEMSH-LJQANCHMSA-N 484.491 5.346 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)cn2)cc1 608938219 WNGABXDLMBEFTG-TUSQITKMSA-N 466.541 5.158 30 20 JKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(OCc2ccccc2)cc1 609028226 PRYFMGFDOGFWPR-DEOSSOPVSA-N 471.944 5.888 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609057868 YYPPTPFXWZZXGB-UHFFFAOYSA-N 451.482 5.543 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2Cl)c1 609063291 WTMLMMOPVQGXIC-UHFFFAOYSA-N 480.351 5.823 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCCN1CCN(c2ccccc2)CC1 609078827 QOSOAABABYICGV-UHFFFAOYSA-N 497.643 5.170 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 609165269 RNUOOGXQHIEVDC-UHFFFAOYSA-N 479.511 5.431 30 20 JKED COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1=O 609381678 IOTANIRZJLQVTF-OAHLLOKOSA-N 477.508 5.020 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 609398305 UBUCQRKYTYJENF-KRWDZBQOSA-N 451.571 5.564 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 609439980 XUEPQEANSGSTSJ-RBUKOAKNSA-N 491.588 5.615 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3cccc(F)c3)o2)c1 611167177 FDELLSQJPPXHSH-UHFFFAOYSA-N 461.522 5.194 30 20 JKED C=CCN(C(=O)c1csc(-c2cnn(C)c2)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 612013073 QLUQIBCEZSFWCX-UHFFFAOYSA-N 483.622 6.167 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 612941755 RTFIMMZGEIEIHI-QHCPKHFHSA-N 477.545 5.405 30 20 JKED O=C(Nc1nnc(SCc2ccc(F)cc2)s1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618538779 AMXLORRSTMHHHF-GHMZBOCLSA-N 488.454 5.564 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1ccc(C(F)(F)F)cn1 643188796 QLXZYRWZTDVBOP-UHFFFAOYSA-N 471.332 5.763 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nc2sccc2c1=O 645080283 XBFTUSHKFHMOBW-MRXNPFEDSA-N 453.589 5.067 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2occc2COc2cccc(C#N)c2)cs1 726688882 FVPBSBUEDVPJRZ-UHFFFAOYSA-N 491.500 5.367 30 20 JKED Cn1cc(CCCN2C(=O)[C@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2)cn1 726735595 KZSIROIBQZCXAE-VWLOTQADSA-N 497.624 5.166 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccco2)nc2onc(CCC)c12 726755960 PPYNGTZHVDDQAQ-UHFFFAOYSA-N 451.486 5.184 30 20 JKED COc1ccc(Br)cc1-c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1 728676485 UDPQMJXENYLJNB-UHFFFAOYSA-N 475.389 5.288 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 729631017 DCOALYBVEBUOGR-UIOOFZCWSA-N 494.620 5.192 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)cc1C 729631102 JNAPTHFLYJZVDM-HSZRJFAPSA-N 494.567 5.446 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 729891020 VQEVKANFWLCOCM-LEWJYISDSA-N 459.546 5.414 30 20 JKED CCc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c3c2CCC3)cc1 731079235 UYRCWJKLECGUKR-GOSISDBHSA-N 488.613 5.113 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c1C 731308664 PGRAWCVYBIDRKH-MBSDFSHPSA-N 474.586 5.126 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(C3CCN(C(C)C)CC3)C2=O)cc1 743523801 DJVIMMVLWIUNNQ-DEOSSOPVSA-N 496.652 5.276 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)ccc1S(=O)(=O)C(F)F 747066551 MVJYKNBKWBUHLB-VURMDHGXSA-N 479.482 5.224 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCc3nccs3)C2=O)c1 747601409 GUAKIZYSVPGEIM-JOCHJYFZSA-N 492.670 5.580 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 748989620 UKBMPVYMXQSSFD-MHZLTWQESA-N 466.585 5.041 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)nnc1-c1ccc(C(C)(C)C)cc1 753101764 DMTUPHFFDIDOJO-GOSISDBHSA-N 488.657 5.701 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@H](C)c3ccccn3)C2=O)cc1 837301280 IJVNOTWIFVIEMD-NTKDMRAZSA-N 488.613 5.510 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)n1 856967025 KOZLMICSTWJGLY-CQSZACIVSA-N 471.529 6.591 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(SC3CCCC3)cc2)cs1)c1ccc(F)cc1F 914702408 FEHJJTLBOZYYIS-LCYFTJDESA-N 484.593 7.037 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cs2)cc1OC 915087267 RGYLNKCNZVNMNM-HSZRJFAPSA-N 469.566 5.664 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)[C@@H]1c1ccccc1OC 915104163 MIOSSNBWWLRHJA-JXQFQVJHSA-N 494.542 5.396 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc3ccc(Br)cc3s2)CC1 915131710 SHMUHZIIDVHRIF-UHFFFAOYSA-N 498.362 5.034 30 20 JKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 915353805 XRNTUAGGMOWYBQ-BJKOFHAPSA-N 486.528 5.455 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(C2CC2)C1=O 916207808 LVPWUYKUKSULMD-FQEVSTJZSA-N 457.983 5.088 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 916217503 OKHVQZFJPMXXBV-FQEVSTJZSA-N 484.503 5.261 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 916925820 OYOYJJPGSLUOAJ-KRWDZBQOSA-N 473.476 5.118 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 916953324 BOLXHFJBQCNRAQ-MGPUTAFESA-N 451.473 5.413 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1 916954469 IDVUCJOCAMPOKF-GAJHUEQPSA-N 465.557 5.418 30 20 JKED COc1ccc2[nH]cc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c2c1 916995811 ITNDKIVATMIXDL-QGZVFWFLSA-N 456.354 6.026 30 20 JKED N#C[C@@H](C(=O)COc1ccc(F)cc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997690 XTDLFKRCZUQZOX-ZDUSSCGKSA-N 455.725 6.165 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917045884 BXOKOJRBZGHMOC-ZBFHGGJFSA-N 478.426 5.331 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)cs1 917558961 BBUNHVPNFUTQCZ-OEAKJJBVSA-N 486.528 5.267 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1CC 917687179 NGLNQTBZZKWUNO-FQEVSTJZSA-N 493.551 5.265 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCCC1 917704962 RMNZHOQEPAVSAE-FQEVSTJZSA-N 497.964 5.023 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 918033892 GKCDANWLMOELAZ-NGOKVRLYSA-N 492.554 6.616 30 20 JKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 920109364 QDOSUYJHTAFYID-HYBUGGRVSA-N 454.526 5.645 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1 920138300 DBASWGJDRXUOMQ-FQEVSTJZSA-N 463.559 5.585 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Sc3ccc(Br)cc3)n2)cc1 920139350 RXZLUKPHMUHSLD-UGSOOPFHSA-N 473.417 5.938 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nc(C)nc4sc(C)c(C)c34)n2)cc1 920143607 SIXFNIYFPQCSBZ-QGZVFWFLSA-N 480.640 5.717 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@@H](C)c2ccc(C)s2)C1=O 920170498 NGBNZBQMVQIZLB-ZBEGNZNMSA-N 456.420 5.192 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cc(C)on2)C1=O 920357193 WEPSIISRFPJVEG-OAQYLSRUSA-N 498.992 5.114 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2cccc(NC(=O)CC(C)C)c2)C1=O 920751931 LUNXUUBARJNQAX-HSZRJFAPSA-N 494.661 5.062 30 20 JKED N#C[C@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 920804540 UUBUQOIPFVYLFD-ABPVARSCSA-N 466.509 6.706 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C(C)C)cc1 920869052 MUZRELZOQOSFOK-WZONZLPQSA-N 483.634 5.061 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(C(C)(C)C)s2)C3)c1 1782972415 IUBBXTXGMWGXTH-DUAIZULJSA-N 493.673 5.114 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4ccc(F)cc4)CCC3)cc2)C1 1785808086 MHAXBSMSYJJOBA-UHFFFAOYSA-N 455.533 5.602 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Cc3ccco3)CCC2)cc1 1786546663 REERELLHWBPQAO-XXBNENTESA-N 495.620 5.062 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc4ncccc4c3)cc2)CCC1 1788907626 AQYCMRZLMUSSDQ-OUKQBFOZSA-N 481.577 5.483 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1 1789508733 FGZBPCIVHJKNBE-UHFFFAOYSA-N 472.665 5.362 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c(OC)c1 1790235365 RXHGXZPRERVMON-LJQANCHMSA-N 483.568 5.392 30 20 JKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)c2s1 1790707751 QBTFTXLIGSYGHS-UHFFFAOYSA-N 480.593 5.732 30 20 JKED Cc1nc(F)ccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790768049 ZYOVLLFPBDNUBD-UHFFFAOYSA-N 462.912 5.116 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)cc2)CCC1 1790844258 WILCKARCKOFXDU-FQEVSTJZSA-N 490.551 5.055 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)[S@@](=O)c4ccccc4)cc3)CCC2)c1 1791061783 BZVUKMAAATYGSK-QGMQUNCBSA-N 499.636 5.258 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791406972 IZYDRYCEASVYRI-LYZGTLIUSA-N 495.664 5.370 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@]4(C)CC=CCC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1791994164 PVXYASJOMKZKHI-NEKDWFFYSA-N 493.648 5.433 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(Cl)cc3)no1)C2 1798417594 PQPHUOOMASUGLS-KOUNCHBCSA-N 498.099 5.298 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c3ccccc13)C2 1801638051 AQCVVVGQZYFQMY-FJIDUMEYSA-N 455.396 5.066 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1802499771 ITYXLZQSCGNPMD-CVDCTZTESA-N 464.635 5.245 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1803084615 UEUZDMLAAQBMRA-OFVILXPXSA-N 477.008 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1803088693 FNSDPKGYEKYSHY-XUZZJYLKSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1803091415 NIRCLLRGLHBGKR-JYFHCDHNSA-N 473.642 5.693 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1803866078 UWBHHHANOYIWCV-MDWSFGPVSA-N 494.451 5.465 30 20 JKED CC(C)c1csc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)n1 1804793397 QCTQDCVYJHOROG-XUZZJYLKSA-N 496.753 5.032 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@@H](CNC(=O)CC#N)[C@@H]3c3cccnc3)c(C)c2)cc1 1806289269 GETALFBGLUKIGY-FIBWVYCGSA-N 494.639 5.633 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1810174734 PMJAPQYVSPCEDS-DMDYGQEQSA-N 475.633 5.347 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810178036 LPSIUKSDHJPHDN-MIZPHKNDSA-N 489.513 5.328 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1)c1ccccc1 1810446804 HYTHFCYFAFSAJD-XEYFGNSSSA-N 483.656 5.255 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4ccoc34)[C@H]2c2cccnc2)c1 1812233521 NZDSZOPMMGKUMK-YZXAJQSBSA-N 478.552 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(SC)cc2)[C@H]1c1cccnc1 1813237802 ZEGLOFJYXSDNMN-WIOPSUGQSA-N 465.663 5.044 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)[nH]n1 1814441357 HNYKJECNDXGLHW-QGZVFWFLSA-N 463.504 5.122 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)[nH]n1 1815216186 QQRFQECRFXDOSL-AFMDSPMNSA-N 499.615 5.435 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)cc1C#N 1815984780 NAGCVXNNZORDMN-MECCDNJOSA-N 489.601 5.149 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3ccc4ccccc4c3)n[nH]2)C1 1817772134 CBGGUXUQIWEMER-AREMUKBSSA-N 491.595 5.897 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)[nH]c12 1819022084 OSNMWOAXFFXZKX-DEOSSOPVSA-N 480.572 5.010 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)[nH]n1)c1ccccc1 1819517974 CPLIVMCLEPOLNG-URXFXBBRSA-N 458.562 5.123 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cc(Cl)ccn23)[nH]n1 1819554195 JZSKSSQWMAQEMR-SFHVURJKSA-N 468.989 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(-c3cccnc3)cc1)CC2 1819602996 HWUVZRQXWYXRKV-FGZHOGPDSA-N 472.614 5.199 30 20 JKED Cc1cc(Br)sc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1 1820316054 QYPPGRNBOPDVFS-KRWDZBQOSA-N 498.406 5.034 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc3cccnc3cc2F)n[nH]1 1820838757 DJXYROQTCGLNDF-HSZRJFAPSA-N 477.584 5.324 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)[nH]n1 1820973966 RUXLCTPQJPEWMH-CJFMBICVSA-N 487.604 5.492 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3)n[nH]2)c1 1821132711 MDVCCAMIQJARDD-AOMKIAJQSA-N 493.514 5.258 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1821921587 UYYUKAKKXCWMFH-CVDCTZTESA-N 457.578 5.298 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1)C(F)(F)F 1821994011 PIFQEFOFKURRKD-OAQYLSRUSA-N 485.510 5.242 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1)c1ccc(O)cc1 1822469512 NAFQCYZRMHBYBK-KKLQWCBXSA-N 490.629 5.170 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCCn3cccc3)[nH]n2)c1 1823215555 VDBOISNFVRUXNA-RDPSFJRHSA-N 472.593 5.015 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1)NC(=O)OC(C)(C)C 1823348312 XAIRVWGMTJVYKG-STNJVZKESA-N 499.656 5.008 30 20 JKED Cc1ccc(-c2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5ccc(CC#N)cc5)sc4C3)c[nH]2)cc1 1823488998 FQHJZEZWSXORDB-JOCHJYFZSA-N 495.608 5.052 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1823812990 YDSMSALLFXGLBM-XMMPIXPASA-N 483.534 5.053 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccc(C)cc2)CC1 1823948037 TWYIWUAPCLGBHW-UIOOFZCWSA-N 452.639 5.152 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1824453013 KKDUGQVHEGUBJO-BQVIPMCUSA-N 499.655 5.359 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1824537134 CJBRNFCSJOHDMS-RBBKRZOGSA-N 462.059 5.009 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC#N)CC1)c1cccc(NC(=O)OC(C)(C)C)c1 1826691372 QPGDXOZEUJWIEQ-RDPSFJRHSA-N 496.652 5.061 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827331626 AYGLPRZSFABZFZ-HHHXNRCGSA-N 471.645 5.484 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccnn3C)c(Cl)s2)CC1 1827362484 BPTVLSXHVYSNAO-PXNSSMCTSA-N 489.085 5.248 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1827520408 IADJTVLRMYOLHW-AREMUKBSSA-N 485.628 5.127 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1)C(F)(F)F 1828498650 MIBANTOIQGJXFI-JOCHJYFZSA-N 493.957 5.548 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828508414 YMLMHCYCGOARLP-ZHRRBRCNSA-N 489.479 5.154 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 1828822813 MEPWICYWOMHQCK-LEWJYISDSA-N 463.544 5.102 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(Cl)s2)CC1)c1ccccc1 1829033411 WQUPOLSCCBJBCT-FCHUYYIVSA-N 484.065 5.227 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)CC1 1829180555 OOXNFAGVVUWFIV-AZUAARDMSA-N 464.437 5.390 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829520023 QCCKLEHHVRUNLQ-IXCJQBJRSA-N 471.645 5.750 30 20 JKED COc1cccc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829692920 QAGAHCZBLPNTOC-CJZRDCOESA-N 492.019 5.167 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)c1 1829952171 GBAQPAHYZGKZLF-RDPOUHODSA-N 496.655 5.170 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)CC1 1830086788 ASACQRWTFGDSER-XMMPIXPASA-N 474.668 5.249 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)Cc4ccc(F)c(C#N)c4)CC3)ccc2c1 1830360278 BOZKOZGLBHQAMS-NDEPHWFRSA-N 498.602 5.030 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1830606413 NGKYENNDRSOKLV-RUZDIDTESA-N 495.664 5.461 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)oc2ccccc12 1830628832 MWOMFZGKWBHTKW-RUZDIDTESA-N 469.585 5.354 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)c(Cl)c1 1830720987 QZEPVFACVHYFSD-ZEQRLZLVSA-N 467.972 5.156 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830986977 BMKTVQSMFQXRNP-XMMPIXPASA-N 495.461 5.639 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1831001447 PAQKRJZFVYQTKS-UPVQGACJSA-N 481.587 5.515 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059410 MJBRXFRMCMITEL-QHCPKHFHSA-N 457.574 5.369 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCN(c3ccc(F)cn3)CC2)CC1 1831196660 DAOSDIFPDMUHPS-VWLOTQADSA-N 498.687 5.049 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccccc2Br)CC1 1831717015 QMTTUTUDLZIGQN-KNQAVFIVSA-N 491.470 5.050 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1831842077 HWWPNDOEUXHPFP-JTSKRJEESA-N 481.687 5.448 30 20 JKED COC1(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CCC1 1832497857 XTJAIVIFTJGCRB-GDLZYMKVSA-N 498.667 5.279 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2c1 1832629137 JZTUBVAMHKTYBL-MNNSJKJDSA-N 496.655 5.579 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 1832634605 XKPSJJYBUSADPI-KMRXNPHXSA-N 482.628 5.271 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3F)CC2)c1 1832635373 BZZASQARIDXQPL-JIPXPUAJSA-N 475.608 5.319 30 20 JKED CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1)c1ccccc1 1837634006 AWTLLJKPXYCVTL-HHHXNRCGSA-N 496.768 5.230 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)CC1 1838303793 PLAIECGAHFGANN-QGZVFWFLSA-N 491.554 5.011 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/Sc3ccc(C)cc3)CC2)CC1 1838371559 IFMKEECIVDEUSB-NIVBKCCZSA-N 482.690 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)CC1 1838374019 ZRPVPQGCAJXMRY-HHHXNRCGSA-N 487.644 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2c(-c4ccccc4)cn4ccccc24)C3)c1 1846828233 GAUJZVHSJKYXGR-JOCHJYFZSA-N 488.591 5.364 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 3490614 NCSPWRUANZUILX-OAHLLOKOSA-N 460.946 5.030 30 20 JKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 10172638 YGILDJJARRZQLS-UHFFFAOYSA-O 457.663 6.644 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10756224 NWRJJRYRIVSZLV-UHFFFAOYSA-O 456.006 6.721 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc3c(c2)CCCC3)c(C)n1C 11084943 BQENRPXGKNWKSB-UHFFFAOYSA-O 497.482 5.622 30 20 JKED CC(C)c1ccccc1-n1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nnc1-c1cccnc1 15234341 BMABNQGLRWULGX-QFIPXVFZSA-N 485.613 5.051 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2sc3c(c2c1=O)CCC3 16715636 IQNLQONBYOCHOQ-OAHLLOKOSA-N 453.633 5.375 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)n(C2CCCCC2)c1C 21737078 LCJGFNUHLHWTLQ-UHFFFAOYSA-N 494.690 5.791 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730089 WTPZNJRIWVZJOB-UHFFFAOYSA-O 467.614 6.015 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22801129 URXWKMNOUKCKIR-UHFFFAOYSA-O 481.641 5.345 30 20 JKED N#CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2)c1ccccc1 23420652 DFQWHOLQCJFBCO-HTXNQAPBSA-N 479.561 5.497 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)CC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 23626048 YYAIDQWFXYCACW-UKRRQHHQSA-N 459.612 5.154 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 24067252 TUMUBYFWQFKCOH-UHFFFAOYSA-N 461.008 5.055 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cs1)c1ccc(F)cc1F 36834958 BICQMQFSRWXRQW-PKNBQFBNSA-N 484.528 5.532 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)C(C)(C)c2ccccc21 45415732 ZDPMQBBKPFBFFS-BKUYFWCQSA-N 450.633 5.238 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 108068030 MZWZLPWXTHYCPN-UHFFFAOYSA-N 467.529 5.108 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cs1)c1ccc(F)cc1F 108308566 RXTPOKIWVANMPZ-UXBLZVDNSA-N 494.523 5.315 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 195648390 QPFHJOOCBYQLEG-HNNXBMFYSA-N 455.967 5.914 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)cs1)c1ccc(F)cc1F 206969852 RMFZMOCNPDVOLZ-CLFYSBASSA-N 461.559 6.064 30 20 JKED COc1cc(-c2nnc(S[C@@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)cc(OC)c1OC 214411535 NNYOOEVFDYHKQZ-HSMAQGNYSA-N 495.601 5.124 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(Br)cc1 255946229 DADMABMBGDJHTA-MRXNPFEDSA-N 451.389 6.104 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 410315216 SYNBRCNVOILRGG-UHFFFAOYSA-N 462.347 5.755 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)s2)cc1OC 481829616 KKYGOGSWPMYECC-UHFFFAOYSA-N 477.464 5.201 30 20 JKED C[C@H]1CCc2nc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)sc2C1 490796127 QPNDHQMXKVVMHG-HNNXBMFYSA-N 462.600 5.123 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 510890130 NHDGYLFJVDTOQF-DEOSSOPVSA-N 463.559 5.215 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 511337693 BCMFZKWMIPHANA-XMMPIXPASA-N 468.582 6.310 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 513000427 UPJFJXYLWFJADC-UHFFFAOYSA-N 475.520 5.184 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 513012537 TWRWUBNYSHLVMI-JOCHJYFZSA-N 486.399 5.110 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)ccc3Br)s2)c(C(F)(F)F)c1 514575111 IVBLRBLHFQOOGW-UHFFFAOYSA-N 484.272 5.778 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)s2)cc1 514767212 PNURMIZUTMAMNR-HZPDHXFCSA-N 460.506 5.463 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)n1 514931506 RSQDJCKTRSNRJW-UHFFFAOYSA-N 472.979 5.217 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccccc1OC 514954841 MFQBRTHRACBURG-AEFFLSMTSA-N 454.621 5.046 30 20 JKED C=CCc1ccc(OCC(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c(OC)c1 517359068 MFIJCYXABHESJV-LJQANCHMSA-N 459.546 5.324 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SCc4cn5ccccc5n4)cc3)n2)cc1 518516659 RAMACWHNPVWZMU-QHCPKHFHSA-N 491.601 6.112 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519053249 ZAOMEHSIDPPTPJ-UHFFFAOYSA-N 487.947 6.097 30 20 JKED CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1Cl 519690715 JDFCKSFLHAHPIV-QGZVFWFLSA-N 492.359 5.547 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 519871292 MKTDRPQSNUBRAM-HSZRJFAPSA-N 460.921 6.124 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 519994007 IHCGCMWRPQNSNK-UHFFFAOYSA-N 457.024 5.053 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCO)Cc1cc(Br)ccc1F 520197911 TWPSLZFIPJDMKN-AWEZNQCLSA-N 466.376 5.009 30 20 JKED N#Cc1cccc(COc2cccc(CNc3cc(-c4ccc(Cl)cc4)nn3CCO)c2)c1 520218754 VEIRMZXOVONQOT-UHFFFAOYSA-N 458.949 5.259 30 20 JKED C=CCN(CC=C)C(=O)Nc1ccc(C)c(NC(=O)c2ccccc2I)c1 520461358 ZPBKQWMBRKPTTN-UHFFFAOYSA-N 475.330 5.058 30 20 JKED C=CCN(C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 521326336 NEBIWGQJAOCLEK-OALUTQOASA-N 473.606 5.114 30 20 JKED CCOc1cc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)ccc1OCC(=O)N1CCCCC1 573396754 TYAJCNDYEKYZJI-UHFFFAOYSA-N 497.595 5.195 30 20 JKED Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1OCC(F)F 588464149 MDDHWEJWWBQJRJ-UHFFFAOYSA-N 493.354 6.115 30 20 JKED N#C[C@@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 590207660 BERQVOBXHDLFMH-NRFANRHFSA-N 463.990 5.760 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(NS(=O)(=O)c4cccs4)c3)c2)c1 603891749 VDCZFZWYRUNFNK-UHFFFAOYSA-N 489.578 5.252 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(Cc1ccco1)c1ccccc1C#N 603956201 CTYGMEXTKISGOG-UHFFFAOYSA-N 493.947 6.413 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 608916282 VMTSBINLHAWIOG-UHFFFAOYSA-N 487.003 6.134 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc(I)cc(C(F)(F)F)c1 609065397 ZALMXCQYXODASY-UHFFFAOYSA-N 477.117 5.720 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 609067976 BPWPQFMLWDALID-IBGZPJMESA-N 469.875 5.313 30 20 JKED CCc1nc(CN2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)cs1 609079449 DAMYKYQFRUUPRN-UHFFFAOYSA-N 496.036 5.159 30 20 JKED N#C[C@@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(OCc2ccccc2)cc1 609174763 WCXSRHYBNUXKSW-RUZDIDTESA-N 482.609 5.473 30 20 JKED CCCCCn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2c1=O 613319847 MQHUBZSMULTQCA-HXUWFJFHSA-N 476.989 5.854 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3cccc(C#Cc4ccccn4)c3)oc3ccccc23)s1 621107178 CNWKVBJHDOJQLZ-UHFFFAOYSA-N 482.590 5.932 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1cccnc1 623014717 AGPQDYQFTKBFKS-LJQANCHMSA-N 455.587 5.236 30 20 JKED COc1ccc(CNc2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)s2)cc1 677308939 VUUUIRFMKLOXQC-UHFFFAOYSA-N 463.588 5.002 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 680514727 PQFXNYLXGLUVGY-AWEZNQCLSA-N 479.408 5.889 30 20 JKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1-c1ccccc1Br 726321361 IDLSXAWHMJVHAD-AWEZNQCLSA-N 474.717 5.208 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726408049 WWUXHTRTNDDXNR-QFIPXVFZSA-N 499.036 5.297 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/[C@H](C)c1cccs1 726420764 MXTVIOFSJCEZOM-XWSQKVDZSA-N 486.594 5.082 30 20 JKED COc1cc(C=NNc2ccc(OC(F)F)cc2)ccc1OCC(=O)Nc1ccccc1Cl 726430341 YGRTYVDBOZXKEH-UHFFFAOYSA-N 475.879 5.414 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 726571885 MVWYZNVLEWPHNZ-UHFFFAOYSA-O 493.996 6.028 30 20 JKED COc1ccc(N/C(S)=C(C(/O)=C2/N=C(C)C(C(C)=O)=C2C)\[n+]2ccc3c(c2)CCCC3)cc1F 726576271 PSFTXYMSMCCLCI-UHFFFAOYSA-O 494.612 5.318 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)n1 726877393 JONHFKAIDQGVKK-UHFFFAOYSA-N 493.580 5.269 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)cc(OC)c1OC 727647256 NOLQFBCIIIYRGU-HSZRJFAPSA-N 471.488 5.061 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 727996210 GZBSGGUJCUOSNF-LJAQVGFWSA-N 488.543 6.152 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 728004613 BYTUPWGWBKJHHD-UHFFFAOYSA-N 491.378 6.250 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 728779039 WUDPOZUIFWGLJI-IBGZPJMESA-N 476.936 5.272 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(Br)c2)N([C@@H](c2ccccc2)C2CCC2)C1=O 729145101 HZLKKPKYTYHHAZ-FPOVZHCZSA-N 486.435 5.058 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)cc1 729145348 KMINPMRYKHDTFF-FQEVSTJZSA-N 464.616 5.174 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 729668459 KSIBPPHNUQGCSH-UHFFFAOYSA-O 478.377 5.274 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)[n+]2ccccc2CC)c1 730440812 ZJRYVQSAHOHSBZ-UHFFFAOYSA-O 491.636 6.420 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730460340 YPBXKIGPIOZCGI-FQEVSTJZSA-N 475.536 5.835 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1ccc2[nH]c(C)c(C)c2c1 730708226 BSPZSLSJELCUFI-HSZRJFAPSA-N 498.612 5.044 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)o1 731069172 LVMIHOZMIIRJAL-CYBMUJFWSA-N 455.561 5.067 30 20 JKED N#Cc1c(COC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)cn2ccccc12 731103194 VHBQMJFQDIUKKF-UHFFFAOYSA-N 495.795 5.358 30 20 JKED Cc1ccccc1-c1nnc(S)n1N=Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl 731150601 DNRKNHYCCRHDGA-UHFFFAOYSA-N 450.999 5.696 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731305034 FMLKKMNJDJULCW-OAHLLOKOSA-N 492.306 5.222 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccc(F)cc1)c1cccs1 731312476 OHROHHAFRBSAAE-MXGHJUMWSA-N 497.617 5.225 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(CCC)Cc2ccccc2Br)c1=S 746043399 XFOOGEFIXFIMHP-UHFFFAOYSA-N 458.429 5.294 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 747317705 UWFKMPLTZBIDHF-NSOVKSMOSA-N 495.529 5.659 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc(Br)cc(Br)c3o2)c1 747562803 YFUWNEYTCVOUAP-AWEZNQCLSA-N 476.124 5.227 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCc3nccs3)C2=O)c1 747601411 GUAKIZYSVPGEIM-QFIPXVFZSA-N 492.670 5.580 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3cccnc3)C2=O)c1 837802165 BHAPGTQSSKNPPP-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@H](C)c3ccccn3)C2=O)cc1 837885232 YQOISMBWSNWZHC-VGOFRKELSA-N 479.005 5.765 30 20 JKED CC[C@H](C)N1C(=O)N[C@@H](c2cccc(C#N)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839946742 BEVLZOQXXWNLPI-QKKBWIMNSA-N 456.468 5.355 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 881448490 QLMCMIKSSRFQRL-ZZEZOPTASA-N 479.561 5.146 30 20 JKED COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1N=Cc1cc2ccccc2nc1O 912775508 LPMWUMNDJSNFML-UHFFFAOYSA-N 467.934 5.154 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O)Nc1cc(Cl)cc(Cl)c1 913098405 BAPBODJPQPXSBL-AWEZNQCLSA-N 478.279 5.140 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 914492439 XCZRYBXJSQGPDY-UHFFFAOYSA-N 488.663 6.099 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2cccs2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103598 YYEPXEJSXKLQOM-ZDUSSCGKSA-N 475.382 6.037 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104697 JEGDSIXAEYJTEW-FUHWJXTLSA-N 487.503 5.195 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c1=S 915795990 PBCUNXZKGDCTRS-UHFFFAOYSA-N 475.021 5.551 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(OC)c3)N(Cc3ccco3)C2=O)cc1 916207444 YGBKKONLNWEARW-HSZRJFAPSA-N 493.585 5.238 30 20 JKED Cc1cc(C)cc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)c1 916231490 DNCWJPNJMWTZSH-INIZCTEOSA-N 455.889 5.224 30 20 JKED O=[N+]([O-])c1cc(C=Nn2c(S)nnc2SCc2ccccc2)ccc1Oc1ccc(F)cc1 916368454 GGJGKKRZNMNCCN-UHFFFAOYSA-N 481.534 5.581 30 20 JKED COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1CC(=O)O 916546867 LPUQCVFGRSOZLB-CMDGGOBGSA-N 459.329 5.078 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(COc2ccc(F)cc2)n1 916887082 KYFFQMSNGBNXAS-MRXNPFEDSA-N 477.489 5.137 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 916887699 OMGWRRGSNBJCSB-IBGZPJMESA-N 453.514 5.713 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)nc(O)c2c1C 916915756 ILLJCTKEPMGMRS-YJBOKZPZSA-N 490.610 5.136 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 916926016 XWJUBJRNJHXREE-HXUWFJFHSA-N 480.362 5.217 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc12 916936803 XCWAIQSPDAUGTG-KRWDZBQOSA-N 484.915 5.347 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)Cc2cc(Br)cs2)c1=S 917457646 TWUFLNJGOOVRBI-UHFFFAOYSA-N 483.432 5.232 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2C[C@@H]2CCCO2)cc1 917666254 VVRNRPDSGGCASN-ZEQRLZLVSA-N 494.661 5.015 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c1 917689624 PMURRHLQHKNTLW-UBFVSLLYSA-N 490.673 5.145 30 20 JKED CCCCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918301698 GWLJSPSQZFCXPK-SANMLTNESA-N 457.549 5.639 30 20 JKED Cc1cccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1NC(=O)c1ccccc1F 918322523 ZKWYGFXUSCTKDE-KBPBESRZSA-N 490.419 6.026 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@H]2CCCC[C@@H]2c2ccccc2)C1=O 920169766 IGYBMEGZXGSEIR-HKBOAZHASA-N 487.572 5.082 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O 920170912 PKWCLNOEFJOVOH-HXUWFJFHSA-N 497.960 5.100 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3c(c2)CCC3)n1 920175920 NELPBUXMEUEBAZ-XMMPIXPASA-N 470.598 5.039 30 20 JKED N#C[C@@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1ccc(SC(F)F)cc1 920875119 PCHLHGXDZDYJAH-SFHVURJKSA-N 475.517 5.078 30 20 JKED C=CCCO[C@H](C)C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 921164932 BGKSTIAOMXNCJQ-GOSISDBHSA-N 492.041 5.051 30 20 JKED C[C@@H](COCC(F)(F)F)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 921255339 ZAPNDELVPYHMPA-KSSFIOAISA-N 499.942 5.268 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(Br)cccc4c3)C2)C1 1778617632 SQHMSCDMILDATK-SANMLTNESA-N 499.449 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)C2)C1 1781148181 ZSNAJYVKARJUTL-KMRXNPHXSA-N 498.067 5.064 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CC[C@@]3(F)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786283134 SSWVCSITYJFHQN-SANMLTNESA-N 487.616 5.216 30 20 JKED Cc1cc(Br)c(N)cc1C(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1 1787950019 XFNYSRGMCSNWCF-HXUWFJFHSA-N 490.467 5.042 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4csc5c4CCCO5)cc3)CCC2)cc1 1788396720 MYJWYYAITRKFGO-UHFFFAOYSA-N 471.582 5.201 30 20 JKED COc1cscc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1788825565 QFHGDSTYRIPHNA-UHFFFAOYSA-N 459.571 5.009 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1 1789579780 YDWUXWFJUVBGTJ-AMVVHIIESA-N 487.453 5.304 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)N4CSCSC4)cc3)CCC2)c1 1789580831 BESVBQCRYXRTBK-MOPGFXCFSA-N 494.686 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CNc4ccccc4O3)CCC2)cc1 1789626143 AJNYVELDYYAASF-JOCHJYFZSA-N 461.606 5.376 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccncc4)CCC3)cc2)c1Cl 1790081678 BIPZXEZRACCEIW-UHFFFAOYSA-N 476.989 5.147 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cc5ccccc5o4)CCC3)cc2)c1 1790144938 XPZZFBRYFBPRJD-ZHACJKMWSA-N 450.498 5.094 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCn3c(O)nc4ccccc43)cc2)CCC1 1790364428 YFWQYCFLEKLUEB-HSZRJFAPSA-N 486.616 5.425 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790591422 ZJNLAYRFNRHECC-HXUWFJFHSA-N 470.573 5.297 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c(O)cc4O)cc3)CCC2)c1 1790597874 XQZQAOJNAAVECM-UHFFFAOYSA-N 489.959 5.003 30 20 JKED CCSc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790761794 BJHWEQSHFNQHMP-UHFFFAOYSA-N 474.561 5.266 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)C[C@H]5C[C@@H]6CC[C@H]5C6)CCC4)cc3)c2c1 1790836415 GAHKOHYNFAEMHP-YZGWKJHDSA-N 467.573 5.009 30 20 JKED C[C@@H](c1ccc(CC(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)cc1)C(F)(F)F 1791147006 WZQCSQFDXOTCRG-KRWDZBQOSA-N 469.507 5.333 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CCC5)CCC4)cc3)c[nH]c2c1 1792363927 FPHIYZJXBZQAEE-VZUCSPMQSA-N 452.558 5.318 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@](C)(OC)c1cccc3ccccc13)C2 1792568729 RUAFPLZFJIGACT-OJNHJINQSA-N 462.634 5.332 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1795130714 DLHGRGPRGPRWBR-KOUNCHBCSA-N 477.605 5.110 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 1799394676 DRODBCCUNTYVPB-KOUNCHBCSA-N 497.115 5.033 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C)c4ccccc34)[C@H]2c2cccnc2)C1 1802417965 HDDUTYUMJAWISH-OUTSHDOLSA-N 467.613 5.148 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1803608384 SFJAXGLOJUPJPF-OXTYCOSGSA-N 487.625 5.255 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)C3)CC2)c1 1804750070 MKSAMZLFIJHHPT-UHFFFAOYSA-N 474.992 5.160 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)CCc3cc(C)cs3)C2)CC1)c1ccc(O)cc1 1807050313 OWCUYBFYDRSUEP-XMMPIXPASA-N 492.685 5.123 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1807963566 VGFCCRFQVYFRLW-ZJSXRUAMSA-N 493.705 5.260 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1810173200 GLONCIQSQDWHII-VIZSFHNOSA-N 471.523 5.188 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302475 YIWZHXVNVWDVPX-CUNXSJBXSA-N 495.623 6.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1813766069 FTNJBFWUPTWQRD-DCLXLUIPSA-N 486.443 5.785 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813972033 AWVFRPLSDYJXGD-WDUKFBBWSA-N 464.368 5.059 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3nc(-c4ccccc4)sc3C)[nH]n2)C1 1814392423 LJEYHADKEAVJLZ-QFIPXVFZSA-N 475.618 5.043 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4c(Br)cccc4c3)[nH]n2)C1 1814395100 GSDMGAONTARICK-QFIPXVFZSA-N 493.405 5.598 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2ccc(C(F)(F)F)cc2)n[nH]1 1815152250 PPKQTDAKYQEYJS-NRFANRHFSA-N 474.527 5.247 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)nn2-c2ccccc2)n[nH]1 1818141161 WVOOLLBQVGSMPA-QFIPXVFZSA-N 474.609 5.202 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(-c3ccccc3)n2)n[nH]1 1818363267 ZZLRCFRCOCXLIA-NRFANRHFSA-N 461.591 5.033 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 1819309203 OLPHJJGCSHKSSV-GMAHTHKFSA-N 491.592 5.200 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNc2ccccc2C)[nH]n1)c1ccccc1 1819517997 DBTAVKXUTLHYCH-BVAGGSTKSA-N 483.616 5.020 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820102760 ZEHCBJDATXUUBQ-WIYYLYMNSA-N 481.647 5.137 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCCC)cc2)n[nH]1 1820640377 QJTWFUDMRHJLEQ-JTHBVZDNSA-N 450.583 5.273 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)ccn1 1821151025 CJZHCZOXRSOSIE-HHHXNRCGSA-N 489.579 5.133 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)c1 1821272188 FZBBKSMRNQFIJI-JOCHJYFZSA-N 479.943 5.013 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)[nH]n2)cc(C(F)(F)F)c1 1821308796 GMBUHRLZUJKMMU-IRLDBZIGSA-N 499.468 5.317 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310445 WTVLQKLIEKUBQB-TZIWHRDSSA-N 485.510 5.374 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1821921397 PQCRKFKNAKOAGY-VBKZILBWSA-N 473.499 5.428 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821989590 BBVNDUUHFQLXJW-INIZCTEOSA-N 474.405 5.085 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c1 1823217082 PRSAVNDBHNYAAH-STDWZSPESA-N 459.594 5.169 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1F 1823218741 VXYHVMMBCHSJGX-HXOBKFHXSA-N 459.525 5.104 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1823912071 LPWLTTGCMVZRIL-XMMPIXPASA-N 467.972 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)CC1 1824142072 FKGDTQZBEJVZLD-DNZIZEQUSA-N 464.675 5.262 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(=O)OC(C)(C)C)CC1 1824216285 IDXPTCYRUKQWBJ-JOCHJYFZSA-N 462.675 5.111 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSc3ccc(F)cc3F)CC2)c1 1824446265 XXUZZISILJGIJD-XMMPIXPASA-N 497.611 5.171 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1824545711 YDRBEFJCAQHYLQ-PMACEKPBSA-N 474.564 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cnc2C)CC1 1825451847 XQLMUZDWCNLKFG-GGAORHGYSA-N 488.470 5.154 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(O)ccc3n2)CC1 1828093837 ZWDCWUKKEWSEKW-RUZDIDTESA-N 463.622 5.166 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1828169838 WQAVVVGLMXBARN-HSZRJFAPSA-N 498.465 5.357 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1Cl 1828422153 LHWWTANJYFLZSM-GBXCKJPGSA-N 495.973 5.363 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1828828919 AECAFAPLLMRSKO-WIYYLYMNSA-N 464.984 5.620 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829647753 LATHEIOCURDUPL-IBGZPJMESA-N 486.937 5.535 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829906919 BRYDNDCLZHMZER-ZBCBXWAGSA-N 499.611 5.424 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(Br)c3)CC2)C1 1830142425 RQZQKBLDQKUPDL-QHCPKHFHSA-N 491.445 5.107 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471719 KYAYITDORYQENO-XXBNENTESA-N 461.046 5.573 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)c1 1830542353 WZUDUJISJMINGL-OAQYLSRUSA-N 492.929 5.106 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830714665 DWIICBXFAGUSEL-XMMPIXPASA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c(Cl)c1 1830721851 RLRVHSFGMJCYSU-QHCPKHFHSA-N 493.032 5.368 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1830784033 SMFRULVRGWHUIY-HHHXNRCGSA-N 487.644 5.050 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1831858594 YKEKMUDGHBGVDG-VWLOTQADSA-N 481.036 5.728 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=N/N3CCCCC3)CC2)c1Cl 1832564080 HFFYBNDQNCIVSM-LWKXQZBCSA-N 493.479 5.007 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2[nH]1 1832632149 LBIBOJYIBJBSGP-CCLHPLFOSA-N 482.628 5.651 30 20 JKED CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832633075 BUFWHCRFKNYOEN-JIPXPUAJSA-N 457.618 5.423 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(Cl)c1 1832635883 XOFLIDMROATMIN-SIBVEZHUSA-N 494.035 5.523 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832715607 ZVPAQFQHPMWTLV-NRFANRHFSA-N 453.385 5.169 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3C#N)CC2)s1 1832793404 XHUMURPNQMLQTF-JOCHJYFZSA-N 493.673 5.230 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C(C)(C)C)s4)CC3)CC2)c1 1838163135 BBNXKRNZQJHNME-UHFFFAOYSA-N 493.673 5.152 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)C2(c4ccc(Cl)c(Cl)c4)CC2)C3)c(Cl)c1 1845489255 YPPOIUIUVZKPBF-UHFFFAOYSA-N 488.802 5.067 30 20 JKED CCc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2Cc2ccccc2)cc1 8621049 ZFXPSJKEEKDBHP-HXUWFJFHSA-N 497.624 5.459 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11160578 LUDNKECKKIJTGT-UHFFFAOYSA-O 458.434 6.511 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(C(C)(C)C)cc2)cc1F 14872421 MCNWGVJKSHBOHC-UHFFFAOYSA-O 466.558 5.678 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 15501121 DISZRDDCPCOPLE-CQSZACIVSA-N 490.368 5.072 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nnc1-c1ccc(Br)cc1 18329787 XLKOLUGLBQEZNK-UHFFFAOYSA-N 484.379 5.245 30 20 JKED C=CCn1c(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)nnc1-c1ccoc1C 21177308 OLYXACSJPSHPTC-GXTWGEPZSA-N 467.620 5.309 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(OC)cc2)cc1 22731259 RVVXNIBRDGAXJH-UHFFFAOYSA-O 475.678 7.061 30 20 JKED C=CCn1c(SCC(=O)OCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1ccc(Cl)cc1 26565155 QLSWNYJRPRQAPB-UHFFFAOYSA-N 484.940 5.414 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(COc4ccc(F)cc4)n3)s2)cc1 29519401 AOWPUVVQNAZSCW-UHFFFAOYSA-N 483.575 5.129 30 20 JKED Cc1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1I 32291491 MOFDTWQBMSZKIV-UHFFFAOYSA-N 468.294 5.303 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 33152693 LDDFZCGCRIECOU-UHFFFAOYSA-N 494.317 5.139 30 20 JKED CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)[C@H](C)c1ccc(C#N)cc1 105909490 GMMHLZKATNHJMW-MRXNPFEDSA-N 474.483 5.311 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccccc1F 218657541 DYKLFRMIHKGXFI-QZTJIDSGSA-N 460.578 5.781 30 20 JKED Cc1cc(C)cc(-c2nnc(SCCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)o2)c1 253476869 BUAVMIQGPXPMQX-UHFFFAOYSA-N 475.574 5.406 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 255930424 IBOCFLCLQTYXAC-ZDUSSCGKSA-N 497.835 6.123 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1 303089810 CTKATHCEEUOMPP-QFIPXVFZSA-N 460.534 5.219 30 20 JKED C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1cccc(Br)c1 479666424 OEYIMWIVIUILLK-UHFFFAOYSA-N 458.381 5.089 30 20 JKED C=CCn1c(SCc2nnnn2C2CC2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 484689298 LRIGIABPSLZWSB-UHFFFAOYSA-N 480.601 5.268 30 20 JKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)c(Cl)c2)CC3)CC1 489407145 KUOAELSREWIONA-QGOAFFKASA-N 462.380 6.404 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Br)cc1Br 498693759 IHRGZIFVKITGAR-UHFFFAOYSA-N 456.137 6.003 30 20 JKED COc1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc(Br)c1OC 501751798 MGJOHLFXTJSWDB-UHFFFAOYSA-N 483.387 5.419 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1 502623543 RGHREGWGYLPVDQ-UHFFFAOYSA-N 465.513 5.105 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1 505675226 UJLQTYVGRKDJCN-UHFFFAOYSA-N 499.567 5.005 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 508146683 VWKQVFFZTHSDKF-UHFFFAOYSA-N 494.389 5.490 30 20 JKED CCN(C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@@H](C)c1ccc(C#N)cc1 509564592 OUPCRVKUQZYDJB-HNNXBMFYSA-N 466.335 5.389 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 509725001 RFAFZBUOSGUOKS-YNGKYYQNSA-N 485.584 5.369 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 510859071 ZEFVJXQYWMPMPN-UHFFFAOYSA-N 454.530 5.542 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 514347558 JYGDVESZWJBABD-OAHLLOKOSA-N 469.517 5.533 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 515282941 XMFSUJWATHYXEF-UHFFFAOYSA-N 474.476 5.107 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 515687559 SFUZPPVLPBKYPT-UHFFFAOYSA-N 461.543 6.300 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516038902 HFJZDVIBSVVZDM-UZLBHIALSA-N 489.000 5.763 30 20 JKED COc1cccc(/C=C/c2cc(C(=O)N(C)C[C@H](C)C#N)c3cc(Br)ccc3n2)c1 516802278 CCMUIGUUJWYKTR-MNDMWVCDSA-N 464.363 5.408 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1)O[C@H](C)C2 517404932 ZNINRAXEOOVDNE-DPQOWFAMSA-N 484.621 5.859 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccnc3SCc3ccc(C(N)=O)cc3)cc2)c1 517519567 HPIHFRMULUPXOE-UHFFFAOYSA-N 480.549 5.389 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2ccccc2F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 517529797 UZLFMHAQPSWSEW-IBGZPJMESA-N 472.524 5.162 30 20 JKED C=CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518255528 OPIWWOPCMAYHHE-NRFANRHFSA-N 493.571 5.088 30 20 JKED Cc1nc(-c2ccc(CNC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)s2)cs1 518468592 ZRCHXUYFWQOVSF-UHFFFAOYSA-N 488.594 5.407 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)cc3)o2)cc1 518515459 LKXDJNXHOWFHQW-QHCPKHFHSA-N 487.544 6.197 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1I 518616994 NIFNMPCEQZKKAY-UHFFFAOYSA-N 498.162 5.369 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1 518754003 HUUXYQOOEPAOEF-UHFFFAOYSA-N 464.550 5.750 30 20 JKED C=CCCO[C@@H](C)C(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 519999579 DTDWPZVDKKANGE-GOEBONIOSA-N 455.407 5.610 30 20 JKED C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 520553535 GLYDMVDWFNGYBY-HXOBKFHXSA-N 499.478 5.021 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)CC2)c1 520578620 VHKBHJDRHRYXHI-HSZRJFAPSA-N 451.979 5.616 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2Cl)cc1 520947104 DTUUCIUWFXTNBP-BJKOFHAPSA-N 493.922 5.118 30 20 JKED CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 521158186 UPOFTGFMBGKYNW-UHFFFAOYSA-N 479.293 5.078 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 521263816 NNQIKOLPIYMXDE-LBPRGKRZSA-N 493.329 5.748 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 524440325 HPKFZIUSCWQVBT-JOCHJYFZSA-N 482.609 6.467 30 20 JKED CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCSc2ccc(Br)cc21 556947251 OTTGCRNIHBNDKF-QGZVFWFLSA-N 476.465 5.368 30 20 JKED C=CCN(C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 592995994 OUHAGESXVMPNJX-NRFANRHFSA-N 465.531 5.109 30 20 JKED N#Cc1ccccc1Oc1ccccc1C(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 594669894 XNEKIBIXEQFJTR-ZJHRHMSFSA-N 463.581 5.333 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 603739194 YPYDRIKOXWJOAE-UHFFFAOYSA-N 453.477 5.120 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2)c1C(F)(F)F 603835633 CQPATQHNNVHOLX-SFHVURJKSA-N 478.430 5.106 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603945973 WZKJOIOHMJPAIN-LBPRGKRZSA-N 491.461 5.584 30 20 JKED CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 604141647 VKTCKOIBKGOYGR-JTSKRJEESA-N 491.975 5.219 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2I)cc1 604465695 AEKIZHFZBPLXLC-UHFFFAOYSA-N 498.320 5.361 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1C 604519662 MTIGBDAOTDBMTG-RPLLCQBOSA-N 456.590 5.321 30 20 JKED C[C@H]1CN(c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cn2)C[C@H](C)O1 609063300 XOVJQJNTYKORQW-ROUUACIJSA-N 476.964 5.052 30 20 JKED CC(C)CCOC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609079670 GQVGJWOSDVBQAZ-UHFFFAOYSA-N 455.986 5.850 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)cc2F)c1 609208403 ICVLDQUQEVZIQR-UHFFFAOYSA-N 487.535 5.094 30 20 JKED COc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)s1 609371010 RBQVDLSNBGFDMJ-CQSZACIVSA-N 471.633 5.273 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 609376816 KANSYNLWFWMOND-HNNXBMFYSA-N 484.408 6.750 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 609377654 YFWJHVUQVIHTIO-HNNXBMFYSA-N 457.477 6.397 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1ccc(I)cc1 609382991 ZDIRUWYWFHPGJP-CQSZACIVSA-N 478.355 5.145 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 609401923 KGHJNFATVUXMEL-KRWDZBQOSA-N 488.451 5.571 30 20 JKED N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)cc2)nn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344324 GPFIDDHLYAYWQV-HNNXBMFYSA-N 474.760 5.841 30 20 JKED Cc1cc(-c2noc(CCC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)ccc1F 615939901 KPSYCYVSRQHZBY-CHWSQXEVSA-N 467.385 5.142 30 20 JKED C=CCn1c(SCc2nc(O)c3ccccc3n2)nc2cc(-c3ccccc3)sc2c1=O 641995537 YFUPJDLIVCSHDW-UHFFFAOYSA-N 458.568 5.252 30 20 JKED COc1cc(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 642662644 CDERAFRQFNTHLT-GDNZZTSVSA-N 464.353 5.005 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](c2ccccc2)C2CC2)cn1 726116718 JISUIYRBIQLAGD-ISKFKSNPSA-N 473.602 5.015 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726118417 MVGZDPIUANOUKT-HRAATJIYSA-N 497.646 5.003 30 20 JKED Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1-c1ccccc1Br 726322885 ZPIQQXFKXXXQSS-KRWDZBQOSA-N 462.372 6.068 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccccn2)c1 726407393 NIRQLMACCGCSAZ-JOCHJYFZSA-N 492.963 5.016 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCCOC)c1 726412463 OLCDETMNMXKHBX-QHCPKHFHSA-N 498.048 5.407 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cscn1)c1cccs1 726421378 MSHZJCLMFCYLSQ-DVXVVXBLSA-N 492.598 5.073 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1=S 726593054 XJUZQMRPFFMQIK-LJQANCHMSA-N 494.571 5.432 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c4c(c3)OCO4)SC2=S)cc1Cl 726627460 QMGIRGQYLZPKQX-WCSRMQSCSA-N 479.764 5.109 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCc3csc(COc4ccc(F)cc4)n3)o2)cc1 728109742 RZSSIFUNJSOYTM-UHFFFAOYSA-N 464.474 5.262 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 728186042 VGRGNBJJXAUOFC-UHFFFAOYSA-N 494.576 5.486 30 20 JKED C#Cc1cccc(N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC=C)c3ccc(F)cc3)c2)c1 728482380 IKEGFZBYCGFLFZ-UHFFFAOYSA-N 482.964 5.118 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCCCC#N)cc1 728780703 XGUWQHZLOPNYLL-HSZRJFAPSA-N 476.602 5.106 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1=S 728906799 HLRHJQUFSYGLJB-UHFFFAOYSA-N 476.581 5.293 30 20 JKED N#CCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc2ccccc21 729296427 NWQLJFQWSBTTQE-UHFFFAOYSA-N 498.486 5.237 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 729887866 DNLLPCFPAKPKSU-DFBJGRDBSA-N 453.542 5.438 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2cocn2)C1=O 730710889 ULANNEFUMWDBNH-QHCPKHFHSA-N 492.601 5.241 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730720843 WPNUVMHXAOEXHZ-OFNKIYASSA-N 492.004 5.242 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)ccc1OCc1ccccc1 747067371 VDFJXPQECBFKQE-DHZHZOJOSA-N 488.508 5.175 30 20 JKED O=C(Nc1cccc(F)c1)C1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 751139737 FPZOWRDQXSXTDJ-SNAWJCMRSA-N 488.403 5.754 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799224541 WBJCKXZAWOGTGH-OAHLLOKOSA-N 494.297 5.655 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837300181 RWXKFZQGHDBCPX-YADARESESA-N 488.613 5.429 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1C 837412262 AECXKLIQHKQGSV-HXOBKFHXSA-N 494.567 5.698 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccnn2C2CCCC2)ccc1Cl 881394296 NXYCKRAANWYZSP-UHFFFAOYSA-N 485.009 5.285 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914690879 IJXGDHLRXFGGKY-FZKQIMNGSA-N 495.642 5.294 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@@H](C#N)c1cc(C)nc(C)n1)c(C)n2C(=O)c1ccc(Cl)cc1 915103440 UCNWDBXZOUKIHR-QHCPKHFHSA-N 486.959 5.126 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1Cl 915179686 GADHDQUKUUKQRC-JOCHJYFZSA-N 482.005 5.278 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O 916204433 FRHIMDVVEXXUFF-JOCHJYFZSA-N 479.005 5.246 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O 916205727 LDKALPWZTIZHAM-QHCPKHFHSA-N 492.576 5.170 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(Cl)c1 916211329 COHOXZZMCHUSCC-NRFANRHFSA-N 467.978 5.100 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl 916367047 RAWGFFMUHDZSTN-IBGZPJMESA-N 493.416 5.585 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916911678 VYXDBQRFXRLPPJ-IBGZPJMESA-N 455.366 6.247 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1=S 917436272 APVAPUIZRLYYHE-OAQYLSRUSA-N 495.737 5.493 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cs1 917561381 DWMSAMKDPNBGPS-SSZFMOIBSA-N 458.970 7.044 30 20 JKED Cc1c(C=Nn2cnnc2SCc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccccc1 917574348 LHDMQKGYAYQKKQ-UHFFFAOYSA-N 486.000 5.898 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(C)c1 917668759 FNDDEEXXUUXKBC-IBGZPJMESA-N 493.601 5.307 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 917669529 RSPJOQAMHHXGKJ-WTGSTYHVSA-N 499.614 6.461 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ccsc1 917694808 NHGXVYNREVGLSV-QFIPXVFZSA-N 479.627 5.534 30 20 JKED CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 918551128 NGNSUXYPJNGGQY-YYDJUVGSSA-N 476.067 5.164 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(/C=C2\S/C(=N/C3CCCCC3)NC2=O)cs1 920397801 RGKDJIMKTFNBMJ-WQRHYEAKSA-N 494.564 5.739 30 20 JKED C[C@@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)Nc1ccc(F)cc1Cl 920637673 VVZRWDVADKMSPN-OAHLLOKOSA-N 452.869 5.114 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920803752 BHKXFFUCXCYAHK-GOSISDBHSA-N 487.535 5.710 30 20 JKED Cc1cc(C)c(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)c(C)c1 920806173 IAYPXYKLEXZCGF-IAGOWNOFSA-N 465.525 5.243 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCOCC(F)(F)F)C2=O)c1 932747023 WGSHCEGUAXHNRX-HXUWFJFHSA-N 493.551 5.151 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C2)C1 1780205508 WZYZEMJNXOTOBE-PMERELPUSA-N 487.644 5.250 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC(C)C)c(Cl)c2)C1 1780856208 INCHBLCTDXCKMD-YIXXDRMTSA-N 491.072 5.247 30 20 JKED COc1ncc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1785784450 SGXBILYHRITCIA-KRWDZBQOSA-N 488.975 5.432 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc(=O)c5ccccc5o4)CCC3)cc2)cc1 1785794706 BELBPRNCJVGQNM-UHFFFAOYSA-N 491.547 5.045 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ncc(F)cc4F)cc3)CCC2)cc1C#N 1786537216 UMRNQRLBZHNIIC-UHFFFAOYSA-N 490.510 5.080 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1 1786546327 QJVLBOFMADOHQH-HXUWFJFHSA-N 457.615 5.026 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CCC2)cc1 1787649539 LHTKLAMSGYJBIN-FQEVSTJZSA-N 460.965 5.289 30 20 JKED COc1ccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)cc1 1788378250 QZPRZGSCRPEBQW-UHFFFAOYSA-N 468.557 5.055 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccco5)no4)cc3)CCC2)cc1 1788418436 LQZLRDMYHWHHLE-UHFFFAOYSA-N 480.524 5.187 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cc(C)ccc5[nH]4)cc3)CCC2)c(C#N)c1 1788964136 NTKSYVZQUVONEZ-UHFFFAOYSA-N 492.579 5.347 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C)cc2)CCC1 1789213280 XGFOWOGGVCFJNO-BYNRPDJYSA-N 481.637 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4nc3C)cc2)CCC1 1789248660 QPZFQXIGQJXBQD-HSZRJFAPSA-N 454.574 5.454 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3C)CCC2)cc1 1789453318 VQRXEWJXMYLZGB-NRFANRHFSA-N 482.422 5.669 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454063 OEKJJBGOKIZXJY-QDPGVEIFSA-N 495.664 5.536 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3O)CCC2)cc1)c1ccccc1 1789600106 ADTMYRAYRSNRIM-DEOSSOPVSA-N 467.569 5.041 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790091920 FJTSVFDSQSMKDF-INIZCTEOSA-N 467.953 5.635 30 20 JKED COc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)n[nH]2)cc1 1790256174 TWAZGANOJFBRBR-UHFFFAOYSA-N 491.551 5.018 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3cccc(C)c3)CCC2)cc1 1790509202 PHRWIORFNYXECE-UHFFFAOYSA-N 497.595 5.314 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1 1790567173 IJFDZAMVQZJGFM-HNNXBMFYSA-N 479.474 5.393 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)CCC2)cc1)C(F)(F)F 1791302986 GLLDQWYGMMIEKR-NHCUHLMSSA-N 458.480 5.051 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)CCC2)cc1 1791586087 OVBJNWRUHKIRPU-UHFFFAOYSA-N 459.590 5.285 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](CCCC#C)NC(=O)OC(C)(C)C)CCC2)cc1 1791730519 MLKYJSFFWIKRLF-DEOSSOPVSA-N 493.648 5.011 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4Cc5ccccc5O4)CCC3)cc2)c1 1792123697 PEXUMQKXYMGHAS-SIBVEZHUSA-N 465.553 5.065 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792334366 LZEJTARJVFEJBZ-GMHONNGPSA-N 493.648 5.287 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)[nH]c2c(Cl)cccc12 1800690339 BQHLTNHZLVTCGC-BJWYYQGGSA-N 481.383 5.220 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)cc1Cl 1800691561 GKGUNBPQPNSQLF-MUJYYYPQSA-N 476.791 5.393 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(F)F)cc2F)[C@@H]1c1cccnc1 1802495881 NQAQJUDSJOMUIF-XMSQKQJNSA-N 489.538 5.134 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1802736621 WPEXCEDNYXUZRH-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1804180087 ZLFWFVYAZUITTO-YCRPNKLZSA-N 498.863 5.281 30 20 JKED C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 1810387736 YKSWQYGTZWYXCK-UHFFFAOYSA-N 497.561 5.416 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1811228630 FGBAMWXLQJMDEZ-SKBVVQJISA-N 475.633 5.347 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c(Cl)c1 1811748775 BADYAHQWSDRMOK-SAYVGIAESA-N 477.008 5.063 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1812233931 DDICTZDPYNWTRF-NLFFAJNJSA-N 477.008 5.304 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812508009 QBJCOPIZWPWMTR-QPPBQGQZSA-N 487.566 5.341 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814148362 IZLJDIKMNOUDGH-POURPWNDSA-N 473.661 5.474 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)[nH]n2)C1 1814396615 KVPJSOYBTYUKPN-HSZRJFAPSA-N 456.546 5.474 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)[nH]n1 1814831214 VFIMWEHYEVYIIP-IFMALSPDSA-N 499.656 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cn3ccc4c(F)cccc43)n[nH]2)c1 1814832862 HWRBHYBXKLNLRI-CJAUYULYSA-N 498.562 5.137 30 20 JKED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)[nH]n1 1816749407 HHZHUNXXMRTKDE-NRFANRHFSA-N 497.477 5.440 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)[nH]n1 1819309089 MEDLBLWLOVCXTR-AZUAARDMSA-N 481.000 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)[nH]n1 1819555633 QUFPCSCWYVIBCG-FQEVSTJZSA-N 454.619 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1c[nH]c3ccc(OC)cc13)CC2 1819603557 WHHYTAFTPIWERN-HSBQTJJHSA-N 490.629 5.027 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)c2ccccc2n3CC)n[nH]1 1820226482 YTUHZSKBXSZICU-SIBVEZHUSA-N 499.615 5.435 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(Cl)c3)n[nH]2)c1Cl 1820499438 AVPNUSQPASQQJQ-IBGZPJMESA-N 468.344 5.208 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCCC)cc2)n[nH]1 1820639872 WHSCASFVIZTCQD-QHCPKHFHSA-N 450.583 5.273 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823311 IFTXPUUKHHLBBM-LAUBAEHRSA-N 493.011 5.206 30 20 JKED CC(C)[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821173024 DVXIPLOQHWSISQ-QRQCRPRQSA-N 494.642 5.065 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@H](C)c3ccccc3)[nH]n2)c1 1821326515 YXSFOBICDLQHGT-CYFREDJKSA-N 455.562 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccoc34)n[nH]2)c1 1821543379 YIIANPIHZSBOLI-UZUQRXQVSA-N 467.529 5.403 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(Br)cc2)n[nH]1 1822217506 CPRKXFJTDDLUBS-MZEUMTGBSA-N 493.352 5.089 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1)c1ccc(O)cc1 1822468883 BIHQEXNMTHUHHV-PXDATVDWSA-N 495.583 5.100 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)c1 1823292375 IKTXURYSKGLYII-HSZRJFAPSA-N 489.551 5.136 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)c3ccccc3)n[nH]2)c1 1823496421 HOLIWJHXNDSWOO-IECBHUPTSA-N 455.562 5.146 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1823753646 CLAHNTNPIBIGLL-QFIPXVFZSA-N 476.702 5.357 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(Br)c3F)CC2)C1 1824126019 HJRFCOJRXMDPKF-QFIPXVFZSA-N 491.445 5.107 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1824539413 WKMZZAHFYVQVFH-FYYLOGMGSA-N 474.070 5.076 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824987115 WPSYTGSVJFWTLS-LADGPHEKSA-N 481.102 5.073 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1)c1ccc(O)cc1 1825881721 ZFEBGPUGFKKEQI-IGKIAQTJSA-N 476.617 5.033 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1828827184 JDVRPPRKPAFKSU-UGKGYDQZSA-N 492.582 5.504 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1828829147 YVKIJPWTGUDFID-DASKCANNSA-N 460.618 5.834 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2Cl)CC1)c1cccs1 1829443965 COMNRICZWFEOAJ-IPLHWJFFSA-N 477.051 5.135 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3F)CC2)c1Cl 1829692977 RKYOBFAXQTZBCF-DEOSSOPVSA-N 481.999 5.217 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1 1830577941 DDGLPARNHWNXEC-IQGLISFBSA-N 481.999 5.653 30 20 JKED Cc1nc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)o1 1830601572 CQEFYIFBPJIKMO-NDEPHWFRSA-N 495.623 5.238 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)C1 1830606906 UHQYUVJBFLXWSE-HHHXNRCGSA-N 459.634 5.294 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830719461 ZBGASUIGIPOZHF-VGOFRKELSA-N 485.650 5.173 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)c1 1830770606 CXXPUXFPEXSIMH-QHCPKHFHSA-N 488.613 5.130 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830828180 QBNMSFGLUHWNHB-ATIYNZHBSA-N 480.052 5.890 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978980 YOCXZRNJHPJUMB-XMMPIXPASA-N 457.574 5.075 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)cc3)CC2)c1Cl 1831690949 WSRFFDNXBHDYLZ-DEOSSOPVSA-N 481.999 5.217 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1832030838 YUEFMXCCIATCPV-RUYOUXBXSA-N 452.664 5.414 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)CC1 1838016484 WOWYZPRMCPAEMQ-UHFFFAOYSA-N 483.612 5.090 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)CC2)CC1)c1ccccc1 1838417486 DPMZPVATXZUQTP-MIUCGUHXSA-N 492.704 5.399 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 1838661267 QWCGUUJRQHYKLZ-QFIPXVFZSA-N 476.617 5.303 30 20 JKED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1841138016 SGHVBWIWVSSYNP-UHFFFAOYSA-N 461.528 5.120 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccccc1 9447150 TWGBUSRTBUJYBX-UHFFFAOYSA-N 451.552 5.125 30 20 JKED CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 11047502 KDZVGLIHQNSGRX-XMMPIXPASA-N 473.001 5.869 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(Cc2ccccc2)cc1 11153175 LAQJPHJDAYZKPS-UHFFFAOYSA-O 496.612 6.141 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)Cc1ccc(C#N)cc1 16726293 KPDROGITYUUCOV-UHFFFAOYSA-N 486.549 5.190 30 20 JKED COCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nc2ccccc21 16745343 WVTFEGQVWLDCGZ-OAHLLOKOSA-N 454.621 5.004 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1cccc(C)c1 16862967 PQVMWIURPOVUKI-MRXNPFEDSA-N 471.424 5.630 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccnc2Cl)nc2scc(-c3cccs3)c2c1=O 16986869 GSURSMLROHRKGP-LBPRGKRZSA-N 489.047 5.540 30 20 JKED Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 18530009 HTVFEXJILUTGCZ-OAHLLOKOSA-N 465.600 5.505 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccoc1C 21273938 ZGNLUOVEHOGCJS-UHFFFAOYSA-N 466.563 5.195 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nc2sc(C)c(C)c2c1=O 22072021 HSJKMAVXPQEMEP-SFHVURJKSA-N 468.648 5.139 30 20 JKED N#CCCN(C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1cccc(Cl)c1 22354129 MNLSZDIEINNUOC-UHFFFAOYSA-N 481.455 6.009 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 22521053 UBDOJMRRFXBFTA-CABCVRRESA-N 491.444 5.805 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1ccc(C)c(C)c1 22695367 GSRQOONCTZLYCK-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(N(C)C)cc2)cc1 22730388 XCARMYVMYGNQFQ-UHFFFAOYSA-O 455.003 5.143 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(Nc2cccc(C)c2C)s1 23206058 OPVRFTMDOQMNID-KRWDZBQOSA-N 467.620 5.335 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCOc3ccccc32)nc2cc(-c3ccccc3)sc2c1=O 24171368 FRYJAGPBWVRNLP-LJQANCHMSA-N 489.622 5.043 30 20 JKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 24368093 JYSUKLUJKGIASS-NRFANRHFSA-N 486.641 5.719 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 26196903 AZYDGMAEMRFDJL-UHFFFAOYSA-N 450.947 5.454 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccc(Cc2ccccc2)cc1 27311036 MDJMDRYVUQJHGD-UHFFFAOYSA-O 457.663 5.903 30 20 JKED Cc1ccc(-n2c(SCC(=O)N(CC#N)c3ccccc3)nnc2-c2ccccc2F)cc1 36822248 USUUGRKPWSRWCN-UHFFFAOYSA-N 457.534 5.031 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3sc4ccccc4n23)n(-c2ccc(F)cc2)c1C 45668848 OMXNOFXGBMADLI-UHFFFAOYSA-N 476.562 5.093 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 46668002 BIQXASDKZDJHKZ-UHFFFAOYSA-N 458.905 5.934 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc12 78720142 HPRRAWZBYMBJOS-OAHLLOKOSA-N 464.591 6.240 30 20 JKED C=CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1OC 105287221 OZNXYUGOMSNRLO-HHHXNRCGSA-N 459.542 5.065 30 20 JKED COc1ccc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1NC(=O)c1ccc(Cl)cc1F 108529750 KUXGYBJUYACRDT-DEOSSOPVSA-N 495.938 5.654 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)s2)cc1 215653457 WJUPQYLDRNQKOO-UHFFFAOYSA-N 477.423 6.476 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCN(c2ccccc2C#N)CC1 302970853 GHNRSLJGDNDQGN-SFHVURJKSA-N 481.021 5.227 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccccc1 303391195 YDYPJVWVVOVYJH-MUUNZHRXSA-N 471.626 5.560 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3cccc(OC(F)F)c3)s2)c(C(F)(F)F)c1 409790730 IVUFWMQAPGFAJX-UHFFFAOYSA-N 467.419 5.407 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)c1ccc(C#N)cc1 481134902 KHOPRFQYOZKCBX-AWEZNQCLSA-N 471.410 5.324 30 20 JKED C=CCn1c(SCC(=O)NC(C)(C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl 485943535 IECMODQXBTXWTF-UHFFFAOYSA-N 491.444 5.590 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 487691108 SJLYFKFJMVNOMB-XMMPIXPASA-N 491.494 5.393 30 20 JKED C=CCn1c(Sc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)nnc1-c1ccncc1 487994626 UDTWUXUZJHADMP-UHFFFAOYSA-N 481.372 5.089 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cn1 502285350 IWJKXISZGNGKKN-UHFFFAOYSA-N 481.577 6.225 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C#N)nnc1-c1ccccc1 505059177 IDNIJOZDTVSWQY-KRWDZBQOSA-N 473.627 6.247 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1 508246572 AOXOAQZCZGAGFF-UHFFFAOYSA-N 455.436 6.042 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cc1 508253207 RZVFLAPBYXXYKD-HNNXBMFYSA-N 453.445 5.843 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 508385814 IQVMETYUUHGSCY-MGPUTAFESA-N 464.418 5.669 30 20 JKED C=CCn1c(SCc2nc3ccccc3n(C)c2=O)nc2scc(-c3ccc(C)cc3)c2c1=O 508721214 OMIUAWGCKVQHBS-UHFFFAOYSA-N 486.622 5.159 30 20 JKED CCN(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)[C@@H](C)c1ccc(C#N)cc1 509575705 QJDTZCWCWBUIBG-IBGZPJMESA-N 495.583 5.545 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccccc3CN3CCCCC3)c2)cc1 509900209 QLEJDJWITSBHOQ-UHFFFAOYSA-N 468.601 5.639 30 20 JKED COc1ccc(Br)c(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 509906462 ZHJWYTWBGABQLN-UHFFFAOYSA-N 480.362 5.424 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1 510677038 BJVRTMNGPLEENT-UHFFFAOYSA-N 463.497 5.320 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 511558860 XZNXXFNMORWMIP-XMMPIXPASA-N 459.977 6.120 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 511846035 SOUQPHZLCQSHDA-AREMUKBSSA-N 453.542 5.289 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2[C@@H](C)CC(C)C)nnc1-c1ccc(Cl)cc1 515649326 DBHINJYYNMDIFO-INIZCTEOSA-N 459.019 5.319 30 20 JKED C=CCN(C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)c1nc(-c2ccccc2)cs1 518172787 CCHSGHJWFMEVEH-UHFFFAOYSA-N 478.577 6.668 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OCC 518516792 YTFYGKGNIYYAAC-GOSISDBHSA-N 470.978 6.150 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3cccs3)cc2)cc1 519091148 MSKOWDWOYSKEHG-UHFFFAOYSA-N 457.511 5.173 30 20 JKED COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 520506738 FGQWMYHTFNEHTP-UHFFFAOYSA-N 468.513 5.122 30 20 JKED CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 520811916 BTORBOJVWMNRLG-AWEZNQCLSA-N 461.381 5.311 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(OCC(F)(F)F)c2)c1 521384901 RZMCVHPVGQIHCU-UHFFFAOYSA-N 485.487 5.482 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1Cl 521513199 IQSVYJGYLUVKRT-RSXGOPAZSA-N 471.988 5.982 30 20 JKED CCn1c(SCC(=O)Nc2cc(C#N)cn2C(C)(C)C)nnc1-c1ccc(Cl)cc1Cl 521720442 VQHMMFPHOWGIMD-UHFFFAOYSA-N 477.421 5.431 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 521962909 SABMIDSXUDWASQ-HNNXBMFYSA-N 457.317 5.932 30 20 JKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 522955171 WBVIODQZWUIMCB-UHFFFAOYSA-N 476.964 5.444 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 552486993 DVOBLXWTHGUVIJ-UHFFFAOYSA-N 454.621 5.085 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 582232253 QEYSBDFYVBKFTM-KRWDZBQOSA-N 477.380 5.349 30 20 JKED COc1ccc([C@@H](NCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c2ccccc2)cc1 590613832 ZJECDOOPJGTTSO-NDEPHWFRSA-N 482.584 5.334 30 20 JKED Cc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1NC(=O)c1ccccc1F 603637231 OLEVMIWJZLXSMR-UHFFFAOYSA-N 456.502 5.634 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC(OCc4ccccc4)CC3)c2)c1 603685983 IWTCRAIRGCACNU-UHFFFAOYSA-N 468.553 5.086 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)cn2)cc1 603763728 CEUHSLZOKHUEOX-VWLOTQADSA-N 493.523 5.276 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)o1 603912565 CTFYCLLXMQEZCN-UHFFFAOYSA-N 457.559 5.115 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604137981 DVCAJCSLAPVCNP-BCHFMIIMSA-N 470.573 5.711 30 20 JKED Cc1cccc(C)c1OC[C@H](O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604428806 AZDXCBNKYJJISU-FYYLOGMGSA-N 463.965 5.174 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604499943 RHLDXUUDOAJIAI-UHFFFAOYSA-N 455.287 5.311 30 20 JKED COCCN(Cc1ccc(C)cc1C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604500503 MVJZJNBLANEDDX-UHFFFAOYSA-N 457.574 5.629 30 20 JKED CC(C)C[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 608864757 RFTWZAJYENJJOH-QHCPKHFHSA-N 486.538 5.725 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 608869158 PALKCGJADXMIIE-UHFFFAOYSA-N 488.551 5.476 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1-c1nccs1 613346643 MQEYFEJPBRJKBM-MRXNPFEDSA-N 473.410 6.471 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc2ccccc2n1C(F)F 613401547 DGDZWRFZGKJMCJ-GFCCVEGCSA-N 450.495 6.260 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 615712909 DLZVDUJQMDOGOU-UHFFFAOYSA-N 453.336 5.052 30 20 JKED O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622459760 YPTGFQZTMGLXIT-TXPKVOOTSA-N 480.399 6.021 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(C)=O)C=C1)=C(/S)NC12CC3CC(CC(C3)C1)C2 725761539 JXTGZYHONRZVHT-UHFFFAOYSA-O 476.666 5.076 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 726573006 VCISHVRWOPSPDV-UHFFFAOYSA-O 467.658 6.455 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)s2)cc1 728117203 BDOIEHUZBFVQHT-SFHVURJKSA-N 489.548 6.090 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2c(C)cccc2C)n1 728420690 HVCOCKNDZZVYPY-HSZRJFAPSA-N 483.597 5.039 30 20 JKED Fc1ccc(-c2nn(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2Br)cc1 729462525 HQVIBXVFFHMIAI-VXGBXAGGSA-N 474.218 5.472 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(C)C)cc1 729630837 BGQBFGHNPAADOV-BJKOFHAPSA-N 477.630 5.070 30 20 JKED C[C@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NC3CCN(CC#N)CC3)c2C1 730504774 YXMVQUIWFIOSFH-HWNIBJRTSA-N 493.655 5.141 30 20 JKED Cc1ccc(C(C)C)c(Oc2ccc(C=Nn3c(S)nnc3-n3nc(C)cc3C)cc2[N+](=O)[O-])c1 730567625 MXOHVBIILDZCRC-UHFFFAOYSA-N 491.577 5.384 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(Cl)cc2)s1 730717219 HKFISENNWYYLHH-RDTXWAMCSA-N 486.022 5.221 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N([C@@H](C)c3cccnc3)C2=O)c1 730945730 XHMSBVKTFUAEKP-FNZWTVRRSA-N 498.652 5.909 30 20 JKED CS(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1Cl 730994697 LXIWPTLNAPIWLY-UHFFFAOYSA-N 462.902 5.020 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 731003300 FDGQECWIOCGABP-UHFFFAOYSA-N 471.900 6.126 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 731062948 KMPGAKJMOQRIJH-SFHVURJKSA-N 499.567 6.088 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1c(Cl)ccc(C)c1Cl 731311624 FDHVGJSOJBROCT-KRWDZBQOSA-N 496.416 5.004 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(Cl)cc1 731313304 WEKJCXHROFCSPB-QFIPXVFZSA-N 490.972 5.078 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(CC)Cc2cc(Br)ccc2F)c1=S 746034101 JWZZABGYAKKIFX-UHFFFAOYSA-N 496.494 5.010 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 746693772 AECYQJVLIYQHDN-XMMPIXPASA-N 493.604 5.756 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 746698079 UAYUWQLHXZZHIS-HXUWFJFHSA-N 477.989 5.256 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 747016894 GWEBGQYKDXAEFG-DNQXCXABSA-N 475.495 5.076 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC(OC3CCCCC3)CC2)c1=S 747799812 DIMWTRBOUOYTAE-UHFFFAOYSA-N 477.074 5.604 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 748583146 CMBUJNULFKYNFV-UUILKARUSA-N 474.469 5.035 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2OC)c2nccn2C)cc1 750704948 WOUGYLHZPMOJBA-VWLOTQADSA-N 483.528 5.012 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc2ccccc12 799209640 AAKNUCACOLVQKE-FQEVSTJZSA-N 482.403 5.583 30 20 JKED COc1cccc(O)c1C=Nc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 812395076 LIIFZFIHCRKFOU-UHFFFAOYSA-N 467.437 5.013 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)c1 813319960 RSYKCRZCBSBDSN-UHFFFAOYSA-N 486.528 5.129 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)c1 837547753 UYUVRAFQCHLSNY-XXBNENTESA-N 458.587 5.420 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N([C@H](C)c2cccnc2)C1=O 837707636 YNHXQFQVOWOHBZ-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@H](C)c3cccnc3)C2=O)c1 837886067 IKEFAXYVWGXOIS-OPAMFIHVSA-N 495.004 5.465 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3ccccn3)C2=O)cc1 838235781 SVXZZPBVRFKBQZ-JPYJTQIMSA-N 476.577 5.559 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nc3ccccc3s2)o1 853828296 GWPVLCIHVXXTDF-MRXNPFEDSA-N 475.526 5.057 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)ccc1Cl 877888863 BQSHNLCGVIYOMH-UHFFFAOYSA-N 498.029 5.395 30 20 JKED CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(c3nc(-c4cccnc4Oc4ccccc4)no3)C2)C1 904455733 LFPDRZHUOFQYAV-ZDPBTNRZSA-N 473.533 5.178 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)cc2)c1 913117686 CXLMKBHPXCFXFU-XMMPIXPASA-N 486.597 5.114 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CCc2ccc(C)o2)C1=O 915116633 LLBSIUMQDQWTOO-QHCPKHFHSA-N 477.586 5.108 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccccn3)C2=O)cc1 916210419 DMMRIFBGWDMBND-XMMPIXPASA-N 488.613 5.258 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(OCC)cc1 916215892 YVKFGOHFHVROCD-LJQANCHMSA-N 490.423 5.218 30 20 JKED COc1ccc(NS(=O)(=O)c2ccc(NN=Cc3c(Cl)cccc3Cl)c([N+](=O)[O-])c2)cc1 916242078 ALCZOFPAQOQXQC-UHFFFAOYSA-N 495.344 5.157 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccco2)c1)c1ccc(Cl)cc1Cl 916319131 VYSVHGROPSZBBZ-UHFFFAOYSA-N 458.330 5.268 30 20 JKED Sc1nnc([C@H]2CCCO2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 916368010 TZRUCQDXNKPHMU-RUZDIDTESA-N 492.608 5.820 30 20 JKED CCC(=NNc1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1)c1ccc(OC(F)F)cc1 916607713 MKVKDCMDOWUZAL-UHFFFAOYSA-N 474.533 5.124 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2s1 916847944 XGSNNDRTGDGFER-PGRDOPGGSA-N 463.356 6.055 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 916911809 VCSMGPYYXBQVRY-OAQYLSRUSA-N 462.933 5.451 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 916949249 MVONKISYGQWWBB-FYSMJZIKSA-N 462.981 5.546 30 20 JKED COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2cccc(F)c12 916975101 ABLKEUSBEBEWBR-CQSZACIVSA-N 456.951 6.454 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2csc3ccccc23)C1=O 917657266 ZBKAZADOQTZMQC-SFHVURJKSA-N 477.533 5.188 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)c1 917675217 HJSMFXPVFGVKFE-XMMPIXPASA-N 489.597 5.002 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CCCC(C)C)C2=O)cc1 917700689 HGPWBDGTBCHYNW-HSZRJFAPSA-N 476.602 5.157 30 20 JKED Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1 918306793 HYCVOXBJEXKQRF-NDEPHWFRSA-N 493.632 5.922 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Sc3ccc(Br)cc3)n2)cc1 920139347 RXZLUKPHMUHSLD-ACJLOTCBSA-N 473.417 5.938 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccc(Br)cc3)n2)cc1 920141258 DUWWAEMUOZMPTR-SFHVURJKSA-N 468.401 5.803 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1 920142716 MDJXOEIHTPGCDX-OXDARVEISA-N 491.657 5.352 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 920198069 DJLNBIDAMKJHFS-UUOWRZLLSA-N 480.593 5.590 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 920265466 OJHGODCTBCIDEP-INIZCTEOSA-N 465.991 5.321 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c(C)c1 920353455 JTOSAEMKXVJENI-QHCPKHFHSA-N 476.602 5.377 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2nc3ccccc3s2)cs1 920356672 OGQCTZBJGUXNTQ-UHFFFAOYSA-N 461.494 5.902 30 20 JKED N#Cc1ccc(CN(Cn2nc(-c3cccs3)n(C[C@@H]3CCCO3)c2=S)CC(F)(F)F)cc1 921188674 CLLKRKPINLSFDK-SFHVURJKSA-N 493.580 5.215 30 20 JKED C[C@@H](COCC(F)(F)F)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 921255038 WPPUZKRZOHOOHS-KBXCAEBGSA-N 499.942 5.268 30 20 JKED COc1c(Cl)cc(Cl)cc1C=Nn1c(S)nnc1-c1ccccc1Br 921257081 MEUAWWKYLPBCPA-UHFFFAOYSA-N 458.168 5.194 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c4ccccc34)C2)C1 1778395272 PWYUPACBJSSTCZ-AREMUKBSSA-N 499.449 5.038 30 20 JKED C[C@@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786041716 YSMNZPQDSNKKSR-FQEVSTJZSA-N 455.558 5.097 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(Cl)cccc4n3)CCC2)cc1 1786102877 BFEOKFAXOPUVPM-UHFFFAOYSA-N 462.981 5.504 30 20 JKED Cc1ccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)cc1 1787878334 CGZPYACTHJGFHB-UHFFFAOYSA-N 450.542 5.109 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccoc5c4)cc3)CCC2)c1Cl 1788484730 QVPVTNUAVMWTAH-UHFFFAOYSA-N 470.916 5.414 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccnc4ccccc34)cc2)CCC1 1788888044 QNHXJJMXSXAJSO-OUKQBFOZSA-N 481.577 5.483 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4sc(C)nc4c3)cc2)CCC1 1789046069 CHVWEPROOIDWSH-UHFFFAOYSA-N 463.603 5.335 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)ccn1 1789751031 GTGPAXLHQCGNTE-UHFFFAOYSA-N 489.373 5.086 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cnc(Cl)s3)cc2)CCC1 1789862400 JVNUONPISMUUFR-CMDGGOBGSA-N 471.991 5.045 30 20 JKED CC(C)(C)n1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cn1 1790081726 GGDJBOMPWYDDCH-UHFFFAOYSA-N 475.980 5.225 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3n[nH]c4cc(Cl)ccc34)cc2)CCC1 1790372906 GQDVDEWTXRKERX-UHFFFAOYSA-N 462.981 5.087 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)c1 1790762730 TUWFVALOGWXZGH-UHFFFAOYSA-N 458.518 5.073 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)c(OCC)c3F)cc2)CCC1)C(F)(F)F 1790781114 VNFNTUZOASWAED-UHFFFAOYSA-N 486.412 5.369 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cncc(F)c4)CCC3)cc2)cc(C(F)(F)F)c1 1790785561 RHEZNTFWSNVYER-UHFFFAOYSA-N 482.437 5.173 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4C=CS[C@@H]43)cc2)CCC1 1791089328 OSKGIDXAHCTLBL-MZYLBHOOSA-N 452.696 5.047 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3sc(Br)nc3C)CCC2)cc1 1791248359 ZRYBVFQFZOIFQN-ZDUSSCGKSA-N 462.413 5.174 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1 1791321584 ZAQMCNHCHDYARP-XBJMDHIQSA-N 495.664 5.416 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4N)CCC3)cc2)cc1C#N 1792168418 YJBDSDUFYAHSIE-OQLLNIDSSA-N 494.595 5.389 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793210891 ATRHYAWOFJDIAA-WWQXZPIASA-N 474.045 5.053 30 20 JKED Cc1ccc2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)C4)sc2c1 1795355691 IGPPZVUZWSWDQZ-REPLKXPHSA-N 498.530 5.061 30 20 JKED Cc1ccc(S/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)cc1 1798390783 RNDUROSRTOCEIB-PODJEOQNSA-N 466.006 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3(C(F)(F)F)N=N3)cc1)C2 1798591934 RUWPRDRZOFZYTD-REPLKXPHSA-N 462.516 5.112 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800008542 RFMFSEHXFUEGHC-ADYITMSISA-N 480.052 5.648 30 20 JKED C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1)c1ccccc1 1800743460 PIUCFIWFRKEZEM-LTFXSFKNSA-N 469.507 5.023 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2)C(F)(F)F 1801703069 UNJDCZUNJSYOIG-ZSBIGDGJSA-N 455.691 5.017 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1802495390 COUWCBMLTOHGJD-FIPFOOKPSA-N 498.671 5.613 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1803418528 URAZOIYYBBCPRS-QFZRFWILSA-N 463.647 5.037 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2cccc(C(F)(F)F)c2)C3)c1 1803677939 PBDIDNYFWSWMSN-GYRXKGMFSA-N 481.518 5.298 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C(F)(F)F)c2F)C3)c1 1803683838 AYFXMLPHZRECMH-DQEVTTJGSA-N 473.470 5.037 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CC2)C1 1806678822 SPOPAGFOFZEBAR-SANMLTNESA-N 498.639 5.649 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@@H](CNC(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 1808973886 GGUWLPVMTOUWEH-FREGXXQWSA-N 488.591 5.059 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)oc2ccccc12 1809167976 PJWSFEDHKYKDRJ-NLFFAJNJSA-N 498.970 5.295 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3cnccc3c2)[C@@H]1c1cccnc1 1810273218 VCEQBPKSHNZGOG-IXCJQBJRSA-N 498.703 5.001 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3cnccc3c2)[C@@H]1c1cccnc1 1810273224 VCEQBPKSHNZGOG-XTEPFMGCSA-N 498.703 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)[C@@H]1c1cccnc1 1810503221 OXJPCFAAHZCCSU-CJFMBICVSA-N 492.570 5.220 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccc4c3OC(C)(C)C4)C2)CC1 1810721328 VWAFERWVGWLNCX-JOCHJYFZSA-N 450.623 5.013 30 20 JKED O=C(NC[C@H]1CCN(C(=O)[C@H]2CC=CCC2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811252850 ZMUYRHKBZZDPND-GNSPLJBXSA-N 489.619 5.157 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)oc2ccccc12 1811747023 YNEKHSPMFJIWOM-CPJSRVTESA-N 498.970 5.295 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1811796212 NFVUTWRTNLEZTE-MFMCTBQISA-N 494.639 5.248 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 1811923868 IHOQWWIBOIGHEH-FRPAHBMMSA-N 487.003 5.038 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1812588915 WYLVIIAGUCLJFA-ADSMNUKGSA-N 477.008 5.123 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 1812589319 AROMIDAVDHJVCS-LUQKVYGDSA-N 479.930 5.286 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1812671611 JJWGWOFZKXOQEX-AZGAKELHSA-N 483.603 5.274 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1813864240 XLYRZTLHOYNBKR-RQADYFSKSA-N 487.003 5.304 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(OC)c2)[C@H]1c1cccnc1 1813917863 FZMLOMGTHWANCY-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccc(F)cc2F)n[nH]1 1815147381 ITQJKDPAOPEDGM-XLIONFOSSA-N 474.577 5.241 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC#N)n[nH]1)c1ccc(OCc2ccccc2)cc1 1816747758 AWTLDXHOOLIXRY-LSYYVWMOSA-N 499.615 5.334 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1819308923 IBHCSIXFIYTYIT-MBSDFSHPSA-N 477.996 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)[nH]n1 1819556077 RSBGQNXYCPHSOS-NRFANRHFSA-N 483.016 5.167 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)ccn1 1819756670 VGUJYKQGJVVIHS-HHHXNRCGSA-N 489.579 5.133 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2ccccc2)n[nH]1 1820003667 FSLIVTRHOUMHLN-VWLOTQADSA-N 469.589 5.546 30 20 JKED CC(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)[nH]n2)cc1 1820591553 BVRIWLGNTPPBES-XMMPIXPASA-N 473.552 5.092 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)n[nH]1 1821007403 UDWBZDWWKZLDDC-UPVQGACJSA-N 491.542 5.463 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)cc1 1821179705 KHQLLLZFBXYGOB-KRWDZBQOSA-N 488.400 5.464 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)c1 1821309753 ALMVRWRZMVIARX-NRFANRHFSA-N 481.478 5.228 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2OC)n[nH]1 1821792651 XTIISEKZNMTVQB-FPOVZHCZSA-N 471.001 5.075 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCCC(=O)OCc2ccccc2)[nH]n1 1822402323 MAAMESLIKUHKPD-XMMPIXPASA-N 494.636 5.452 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CCC2)n[nH]1 1822488696 DAEBNESXUBRXLV-OAQYLSRUSA-N 497.437 5.090 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1822582823 XIVVSDNPYUBBSI-HXUWFJFHSA-N 451.958 5.044 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1Cl 1823212670 KZKCXFOTKSGECM-SBUREZEXSA-N 475.980 5.618 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)[nH]n2)c1 1823215483 SUMCJDVZQQMSPO-OSPHWJPCSA-N 466.545 5.138 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1824271960 BIZMJYIHJFHBIN-NFQMXDRXSA-N 474.649 5.125 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1824540140 GHKLEBXHLOPDRX-REWPJTCUSA-N 483.703 5.342 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2CCCCO2)CC1 1824912158 BESLLTJCAPZQDN-LOYHVIPDSA-N 498.667 5.279 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C)c2F)CC1 1824959097 RFZOBNOASIJFBE-FQEVSTJZSA-N 497.474 5.049 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 1825234481 MQIJAYLNGLXXPD-WMZHIEFXSA-N 499.055 5.155 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1827168004 NNNCOJGEBJYVAK-LJAQVGFWSA-N 496.655 5.225 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1)c1ccccc1 1827327113 BDUTXXWAAKVHJZ-FDDCHVKYSA-N 498.549 5.009 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc4occc4c2)CC3)c1 1827696446 BZKYATWGNVTXQP-MGPUTAFESA-N 470.554 5.056 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828515128 NAEMSJHDZKDSPO-AREMUKBSSA-N 495.715 5.591 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1828831685 XJDPHKLBSSEGMJ-XRKRLSELSA-N 499.655 5.563 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(Cl)ccc2F)CC1 1828903415 AIXCARDNZHWNEV-NRFANRHFSA-N 492.111 5.159 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1828907680 GYAQRGWLXGMVMQ-JHUUHBRDSA-N 485.770 5.136 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2cccnc2)CC1)c1ccccc1 1829035988 YLAAIIWMFOLXFA-URLMMPGGSA-N 485.672 5.221 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1 1829068105 FBMKJHHDNWJXNY-SANMLTNESA-N 461.650 5.389 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1cccs1 1829692255 HJWGIEKEQXXWKX-LAUBAEHRSA-N 470.038 5.310 30 20 JKED Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1830008396 FFMHIBZHMPUFDT-UPWIVDSGSA-N 464.631 5.037 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721525 OKMDDMXREIZRCA-DEOSSOPVSA-N 493.051 5.451 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1831015957 NYBCPFRKZJBPIO-QHCPKHFHSA-N 483.056 5.298 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3c(O)cccc23)CC1 1831018917 CIOABGUZIKKQEI-QHCPKHFHSA-N 463.622 5.166 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1831374576 QYLRHDPQYSAJBR-IERDGZPVSA-N 454.508 5.290 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831448055 FSYLVWOZYXFXQH-PKTZIBPZSA-N 464.572 5.396 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832031460 QBVRVKYXWFUVQA-OAQYLSRUSA-N 450.957 5.045 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)c3ccc(O)cc3)CC2)c1 1832633698 MTDIEIKOOMGGKU-PBDKAQRYSA-N 473.617 5.056 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1832634292 UDNQLICTXFBVRW-JIPXPUAJSA-N 496.611 5.516 30 20 JKED Cc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703516 MVAYMBLXDHCMMV-SANMLTNESA-N 473.617 5.201 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)CC2)cc1 1832706796 UJXDRFHVILJVSF-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832716899 FXADVPYTERXVCD-HXUWFJFHSA-N 489.003 5.511 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(Br)c3)CC2)C1 1832721676 WJVZMDXKVJMMGM-NRFANRHFSA-N 479.846 5.302 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1836696074 HWUJNIJBSBAOKZ-FIPFOOKPSA-N 480.693 5.583 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)CC1 1838711692 IXCNOVHENZULFV-FQEVSTJZSA-N 489.616 5.252 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CC1 1838785598 KTFWWXSFZKNHEP-UHFFFAOYSA-N 485.839 5.063 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1841319532 BJHSANQMVUTBLW-UHFFFAOYSA-N 459.615 5.482 30 20 JKED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1ccccc1)C2)c1ccc(O)cc1 1846416407 HHDBZQCWTYJRBQ-XMMPIXPASA-N 494.591 5.199 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10174007 KVVWHUYWELUUGV-UHFFFAOYSA-O 497.640 6.023 30 20 JKED C=CCn1c(S[C@H](CC)C(=O)NCc2ccccc2)nnc1-c1ccc(Br)cc1 10534414 CWOSHKJREWYNSJ-LJQANCHMSA-N 471.424 5.081 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccccc2CC)c1C 10832996 WGMXPYGYBBOSHC-UHFFFAOYSA-O 485.029 5.362 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)n2)cc1 14497335 WFAWKWVBNZCEQE-UHFFFAOYSA-N 491.926 5.604 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1F 20167371 UOUDDFPNBOOTQY-ZDUSSCGKSA-N 450.461 5.408 30 20 JKED COc1ccc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3ccc(OC)c(O)c3)C2=O)cc1O 20916644 ZTFHFIWMQZRAFM-ADYPVIEZSA-N 467.521 5.406 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 21674038 SBWMUXULPPDXOO-UHFFFAOYSA-N 481.578 5.076 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1C(=O)N1CCCCC1 21901044 XRYVPGDCDJCOJM-IBGZPJMESA-N 473.598 5.627 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1ccc(F)cc1 22730461 LQYYPQIAJPASQI-UHFFFAOYSA-O 458.376 5.489 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(OCc2ccccc2C#N)cc1 32154530 DUFHUXXHXPDBRC-UHFFFAOYSA-N 468.340 5.155 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccnn2CCC)ccc1Cl 106224289 CFGVQQAJPAAHNF-UHFFFAOYSA-N 493.416 5.234 30 20 JKED C=CCOc1ccc(C(=O)N(CCC)CC(=O)Nc2cc(Cl)ccc2Cl)cc1OC 248148278 YQMXUAXAUVCJMV-UHFFFAOYSA-N 451.350 5.058 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)o1 303211802 OXHKHZWUWMRRHX-UHFFFAOYSA-N 488.547 5.572 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)COc1cccc(NC(=O)c2ccco2)c1 483379241 REXGMQAILNILBL-UHFFFAOYSA-N 483.499 5.463 30 20 JKED N#CCCn1cc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(C(=O)O)cc2)c(-c2ccccc2)n1 485535037 WREUCSIEPHTMLR-SSZFMOIBSA-N 487.519 5.031 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)C2)c1 488013500 ILDOQKOFIGCJGR-AREMUKBSSA-N 483.587 5.395 30 20 JKED C=CCN(C(=O)c1ccc(C2CCCCC2)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491048585 JBZCRBVKEQPIPC-UHFFFAOYSA-N 480.655 6.094 30 20 JKED C=CCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1nc(-c2ccccc2)cs1 499133161 GXOSXEOLKZQIHO-UHFFFAOYSA-N 473.558 5.413 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c1 501969023 ZVIVJJXKKXRGLG-UHFFFAOYSA-N 488.638 5.162 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 504505710 DUBOGYPPKGYNJI-FOIQADDNSA-N 460.921 5.209 30 20 JKED Cc1nc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)sc1SCC#N 504685228 RPFPUNPXFWFEIY-UHFFFAOYSA-N 455.952 5.419 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2nc(C)c(SCC#N)s2)nnc1-c1ccccc1 504762264 MCRNATQPNJIUEK-ZDUSSCGKSA-N 458.638 5.028 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 508274299 MHPRZHBTKLATQN-IBGZPJMESA-N 460.509 5.146 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1F 510042917 HRWOLYGIHGUPSW-HSZRJFAPSA-N 490.966 5.433 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCc2ccc(C#N)cc2)nnc1-c1cccs1 510366525 GQZYLANCLFFRBM-MBPVOVBZSA-N 477.659 5.284 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(CN4CCCC4)c3)s2)c(C(F)(F)F)c1 513369371 CWBMIJJFSSUCGR-UHFFFAOYSA-N 470.520 5.472 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1nc2ccccc2s1 513676708 JJQVSVOOLDTHGO-CQSZACIVSA-N 466.316 5.394 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 513692419 NBXMAGFTYQJISA-CQSZACIVSA-N 466.975 5.543 30 20 JKED CCOc1ccc([C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc2)cc1 515052075 INHNUFMALPKZJG-AREMUKBSSA-N 496.567 5.327 30 20 JKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 517121256 ABMZGIXLRBBQMM-UHFFFAOYSA-N 488.306 5.220 30 20 JKED Cc1cc(C)c(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Cl)c1 518147233 FKADETMDXHPCPC-CQSZACIVSA-N 455.933 6.421 30 20 JKED Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 518243600 YLWQVMDCUXAQMH-IBGZPJMESA-N 479.627 5.120 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 518671264 WMHYEYJMTISMQD-OALUTQOASA-N 459.571 5.547 30 20 JKED COCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 518683577 YEDZASWHOHAQOS-SJORKVTESA-N 465.541 6.199 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 518743300 WCBDIPJOMCNOHH-RBUKOAKNSA-N 479.627 5.373 30 20 JKED COc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)c3ccccc3n2)cc(OC)c1OC 521550546 BBGLGYZPXYIZAS-LJQANCHMSA-N 479.492 5.559 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 523956385 PVVLFJMOXKWTQF-UHFFFAOYSA-N 492.538 5.403 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(-c3ccccc3)nc21 591862325 PMCISTPWQLEROT-QFIPXVFZSA-N 488.576 6.164 30 20 JKED Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc(C)c1OCc1cccnc1 603659734 WMJITHRFNRNLQG-UHFFFAOYSA-N 487.610 5.545 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 603967970 DAPKRLRIEDMNTL-UHFFFAOYSA-N 465.600 5.022 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(F)c1 604088131 DTZBKFBXXBQDIL-HSZRJFAPSA-N 475.911 5.788 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 604162459 PWAFXBBHOSQDFE-HHHXNRCGSA-N 483.568 5.033 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3cccc4ccccc34)cn2)cc1 604426694 ANAORUDLMVYRRJ-VWLOTQADSA-N 462.509 5.201 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 608797888 VAROBXAOQRWXFH-UHFFFAOYSA-N 498.514 5.174 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)o2)cc1 609058871 GSTYEOUZIREXMG-UHFFFAOYSA-N 459.889 5.610 30 20 JKED N#C[C@@H](NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1)c1ccc(OCc2ccccc2)cc1 609172873 FEIOSLOGWLMHSO-LJQANCHMSA-N 467.403 5.126 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C 609206871 KDDGOCNKGRYZES-QHCPKHFHSA-N 468.517 5.623 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ncc(Cl)cc1Cl 609387156 PZMRPLBOKRBHAV-SNVBAGLBSA-N 463.312 5.852 30 20 JKED C[C@H](Nc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 609414979 ZZBXLGUVIDNRJL-SBUREZEXSA-N 457.534 5.455 30 20 JKED COCCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 609437060 NIQIEROJFGJDQJ-GOSISDBHSA-N 461.518 5.267 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2OC(C)C)nnc1-c1ccc(Cl)cc1 611949451 QHIKZSPIFAPPDH-QGZVFWFLSA-N 471.026 5.541 30 20 JKED C=CCN(C(=O)CCCOc1ccc(Cl)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614531825 CUZGLMCEFZBFJB-UHFFFAOYSA-N 491.034 5.245 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1Sc1ccc(C#N)cc1[N+](=O)[O-] 619674960 YPXIGOOKZVXQJH-UHFFFAOYSA-N 457.943 5.803 30 20 JKED C[C@@H]1Sc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2NC1=O 642281629 NLSJCKYYMAFCDW-IINYFYTJSA-N 474.394 6.040 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 642393124 IEJGHFZHHVHUCU-MRXNPFEDSA-N 460.353 5.508 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C[C@H](C)c2ccc(F)cc2)cn1 726114102 VEUCODXGLRJMKP-FDDCHVKYSA-N 493.608 5.115 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2sccc2C)cn1 726118891 RYACLFQLDZDNQZ-GOSISDBHSA-N 488.038 5.087 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC[C@@H](C)OC 726391966 DIGAQIMRORTQQU-HOYKHHGWSA-N 491.613 5.234 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@H](C)c3ccccn3)C2=O)c1 726421600 OFDODMRZOQLYRJ-ZHSCBAALSA-N 492.670 5.911 30 20 JKED COc1ccc(OC)c(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)c1 726497570 FCAWEPSUKHEOLT-UHFFFAOYSA-N 461.499 5.123 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1=S 726591795 NZRDEIKNLANSIQ-IBGZPJMESA-N 494.024 5.203 30 20 JKED COC(=O)c1sc2ccccc2c1CSc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 726743043 YUSXEDWFZAMRIZ-UHFFFAOYSA-N 463.540 5.023 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2cnc3ccccc3n2)cs1 727258417 IQQGFWXFOSJIKD-UHFFFAOYSA-N 456.453 5.236 30 20 JKED N#C[C@H](C(=O)COc1ccccc1OCC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 727957138 MESOWMRLFCSSGK-GFCCVEGCSA-N 468.403 5.285 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2nc(-c3cc(Br)cs3)no2)c1 728182595 ZRZKCJZPKVQWQC-UHFFFAOYSA-N 482.359 5.301 30 20 JKED CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728265914 OIUWXXQPTAZVCI-UHFFFAOYSA-N 468.479 5.085 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cs1 728347299 QVVWDOWADUUTPK-XMMPIXPASA-N 474.586 5.028 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](O)c3ccccc3C(F)(F)F)cc2Cl)c1 728738388 LDCYGMYJURHDNB-OAQYLSRUSA-N 489.881 5.665 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCCCC#N 728779567 JWFVTZPGSXTKCJ-NRFANRHFSA-N 470.545 5.181 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(F)cc1F 728780414 SMXCOYASWWOCBB-IBGZPJMESA-N 494.926 5.411 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 729555088 FJIHSBHJODYNMH-NZQKXSOJSA-N 491.592 5.389 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)c1 729634707 RKBOGPXLPZAXNR-HSZRJFAPSA-N 458.587 5.113 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 729888059 BRQPEHBCNXFWJW-PKOBYXMFSA-N 490.387 5.687 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730435495 APEQIGZUGLPKPF-IZCBMXNHSA-N 465.372 6.076 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cocn2)cc1 730712779 OEVDWGSVBDSNMJ-OAQYLSRUSA-N 484.528 5.237 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730717169 GICKXEAKUBTTBQ-QFIPXVFZSA-N 490.972 5.642 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 731114746 XAXOLSKMFAMYAR-YJYMSZOUSA-N 457.905 5.163 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c(C)c1 731309009 RUNNAHUQPMQDJA-WZONZLPQSA-N 477.586 5.194 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(N)cc2)ccc1Cl 746478677 NJCXOIDJROKHLB-UHFFFAOYSA-N 476.385 5.209 30 20 JKED C=CCN(C(=O)COC(=O)Cc1ccc(O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 749899960 NDKBHNXQXJCDAN-UHFFFAOYSA-N 477.369 5.127 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1 750392797 SYUXJMPOVDZJRU-KXBFYZLASA-N 467.982 5.009 30 20 JKED CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccccc3Sc3ccccc3C#N)ccc21 784636876 FNLHCOVMPAEORA-QGZVFWFLSA-N 470.550 5.047 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1csc(N(CC)C(C)=O)n1)C(=O)c1ccccc1 797174414 VVUAIVOTZUSSFW-KQWNVCNZSA-N 475.614 5.546 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(CC(F)(F)F)C1=O 799216222 AMOQIPOENZESOW-SFHVURJKSA-N 499.942 5.488 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 837297021 XEQFSFMZQZCIHH-VFNWGFHPSA-N 499.423 6.110 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N([C@H](C)c2cccnc2)C1=O 837382038 SQUVLSWEVDJILG-JPYJTQIMSA-N 474.586 5.120 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1F 838235641 KREGIDJONWJRAJ-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED CC(C)N1CC[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 849498322 JSCWFIRREQDZPN-CCDWMCETSA-N 476.024 5.182 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1 856575963 AOLZPHWQMGBJFZ-IBGZPJMESA-N 460.509 5.436 30 20 JKED C[C@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCC2 858079435 HSVPKKBPVOUGKE-FUHWJXTLSA-N 478.643 5.270 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2ccc(C)cc2)C=C1 912797855 LIEBNTKMKZJBEL-UHFFFAOYSA-O 495.624 6.534 30 20 JKED Cn1c(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)nn(CN(CCC#N)Cc2cccnc2)c1=S 914565645 XRJUXWONYLXESX-HXUWFJFHSA-N 480.707 5.599 30 20 JKED Cc1sc2ncn(N=Cc3ccccc3OCc3ccncc3)c(=O)c2c1-c1ccccc1 914691620 FJZPLIAAHDKVOI-UHFFFAOYSA-N 452.539 5.290 30 20 JKED CCN1CCC[C@H]1Cn1c(C)cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c1C 914692724 VKWJAOJNSNTJST-DEOSSOPVSA-N 472.662 5.096 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2)cc1 914773013 VHBRMRZLQOIDMZ-RUZDIDTESA-N 487.625 5.610 30 20 JKED N#C[C@@H](C(=O)CSc1ccc2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 915103941 IHDKEYJDCRESEP-ZDUSSCGKSA-N 450.463 5.055 30 20 JKED C=CCc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1OC 915658304 YROLNBWPYOCFQR-GOSISDBHSA-N 459.546 5.567 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(O)c(OC)c2)c1 916157322 HSELHROGXNUVSY-BENRWUELSA-N 456.498 5.167 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1Cl 916209618 OZGQZZBKPQSEBQ-OAQYLSRUSA-N 467.978 5.100 30 20 JKED C[C@@H](C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl)c1ccccc1 916258206 NOFVAOZJKIBWOC-HNNXBMFYSA-N 458.927 5.250 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=Nn1c(S)nnc1-c1ccco1 916314236 QPYKPQUKXOSZME-UHFFFAOYSA-N 467.769 5.222 30 20 JKED N#CCCn1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c(-c2ccccc2)n1 916334004 ZCMARZVWQDXYIT-UHFFFAOYSA-N 468.373 5.200 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 916546207 GAMDUQPJYSCZGM-UHFFFAOYSA-N 485.016 6.018 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916883489 LIIMZKCNZVGMPA-HXUWFJFHSA-N 489.507 5.210 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OCC 916902262 XBZNFAYCDNHEES-OAHLLOKOSA-N 479.360 5.459 30 20 JKED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975814 GCOUQMZRCJJSRZ-PMACEKPBSA-N 482.005 5.776 30 20 JKED COc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 916997067 PTWKCQGMOIJFEE-NKPXIPJASA-N 459.354 6.024 30 20 JKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2ccc(-n3cnc4ccccc43)cc2)cc1 917571003 RYRGTVGPMZACJS-UHFFFAOYSA-N 462.485 5.056 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)c1OC 917663460 CNHAVAUTOFDMBK-JOCHJYFZSA-N 493.560 5.003 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2C)n1 917670279 QOAHOPDMSCCPEP-HSZRJFAPSA-N 476.577 5.306 30 20 JKED Cc1cc(-c2noc(CCC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)n2)ccc1F 918487312 MKRWPTSTUQDONK-FQEVSTJZSA-N 484.487 5.257 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 919210876 QAPKNABGKTUNTA-HNNXBMFYSA-N 453.325 5.394 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)c3ccc(Br)cc3)n2)cc1 920139518 UCOQHYCMXNOZOD-SFHVURJKSA-N 455.377 5.735 30 20 JKED COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 920474838 RCANGPHRUHIBOE-UHFFFAOYSA-N 494.507 5.267 30 20 JKED COc1ccc(N=Cc2cc(Br)ccc2O)cc1S(=O)(=O)Nc1ccccc1Cl 920942935 NTBWXMPXRBIAHP-UHFFFAOYSA-N 495.782 5.368 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@](C)(C#N)C(C)C)ccc1Cl 920970497 KMFXBZRCGKSNEC-JOCHJYFZSA-N 480.417 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ccccc4c3Br)C2)C1 1782442918 SXOHQAISVGDTLI-AREMUKBSSA-N 499.449 5.038 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785791358 QLUJEBDYTFEMRS-INIZCTEOSA-N 451.954 5.160 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)COc3cccc4ccccc34)cc2)CCC1 1786677039 BHRKGOHHBRISQF-HXUWFJFHSA-N 473.573 5.154 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3Cl)cc2)CCC1 1787128150 LZABWDNLMPADPU-UHFFFAOYSA-N 473.017 5.022 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc(C(F)(F)F)c1 1787272013 HCLJLOUKWUKYGA-UHFFFAOYSA-N 453.420 5.232 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)CCC3)cc2)CC1 1787881798 WIKZFVQNRAXNMO-UHFFFAOYSA-N 461.871 5.410 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789153352 BTVPHOSVRYIBFL-MQNAVGNWSA-N 467.997 5.379 30 20 JKED COc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1789931617 CSNYFHDETKTMLI-UHFFFAOYSA-N 489.597 5.477 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4oc4ccccc45)CCC3)cc2)c1 1790148659 DLOWXJJFTXTCLB-UHFFFAOYSA-N 474.520 5.847 30 20 JKED COc1ccc2c(CC(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)c[nH]c2c1 1790256557 VRQRHNGNPYSBQD-UHFFFAOYSA-N 478.552 5.039 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1 1790519978 QSSDBEYERICXBU-QHCPKHFHSA-N 495.620 5.206 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1 1790521697 WAUQYBHYAVRFDU-QHCPKHFHSA-N 495.620 5.206 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)ccc1F 1790930809 JAPBMYPKHIEUJL-UHFFFAOYSA-N 483.499 5.140 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnn5cccc(F)c45)cc3)CCC2)c1 1790994166 CFBTZHUIYXCDNF-GOSISDBHSA-N 481.531 5.162 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CCc3cnc4[nH]ccc4c3)cc2)CCC1 1791487157 CZWWSWLJACIKIC-PKNBQFBNSA-N 498.608 5.130 30 20 JKED Cc1ccnc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)c1 1792168795 XLTXJQYIZLSBFO-UHFFFAOYSA-N 468.557 5.110 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204201 QIPHTCLICRGPMW-JXVRESAISA-N 493.604 5.286 30 20 JKED COc1ccc2c(c1)CC[C@H](CC(=O)NC1(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC1)C2 1792230328 AKOCZZCECLPCAG-FQEVSTJZSA-N 471.601 5.018 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1 1800851528 SUBHFAIRYORHMG-BKFWDETESA-N 471.507 5.069 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Cl)cc(Br)c3[nH]1)C2 1801643883 VAWWIDMHKTWQGT-SJWGOKEGSA-N 478.818 5.048 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Cl)c2)CCCC1 1802189096 HALNVEBPVVVHPV-ACDBMABISA-N 450.957 5.001 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1Cl 1802732783 WCTKFIHUJKJGSD-GBXCKJPGSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1803086934 PFDJHLKNIGVLCB-NAKRPHOHSA-N 480.612 5.232 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1803558497 RQKYVHKIKZDHGR-FUFSCUOVSA-N 499.611 5.176 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1809551692 FROGNCOXGRMQCG-DFXJHMEVSA-N 480.052 5.537 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1810168591 JPPIDVYQYIRQME-CAYSGGIESA-N 477.571 5.225 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810173972 KJURAOPEUAHOID-ZEVJAHDQSA-N 496.051 5.610 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1810174085 RGFGLWSOUJCHGI-YOSAUDMPSA-N 494.060 6.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810241230 CUCAJPHZRJRHPM-AOUFBRLBSA-N 477.674 5.694 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1)c1ccccc1 1810443980 NXUXYFJAOSDVRJ-UYECTIAXSA-N 495.623 5.290 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c(Cl)c1 1811748772 AYZPSHOOGUBKNF-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1811768287 NMFKNLCVOBOFCT-NZQKXSOJSA-N 471.523 5.188 30 20 JKED N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/C3CCCC3)[C@H]2c2cccnc2)cc(C(F)(F)F)c1 1811872346 CSKHKEMSCUDQQC-CNLMAQTBSA-N 496.533 5.038 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 1811935858 GHXVXYCXVBRYLJ-UFHPHHKVSA-N 474.564 5.048 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[C@@H]1c1cccnc1)c1ccccc1 1812709417 YEDDTRVTADHBKP-ACWHJXLXSA-N 483.656 5.111 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1812782338 APQKYYVCUJKBJK-OUXSMCDZSA-N 486.660 5.198 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@H]1c1cccnc1 1813226942 WOAVDAPTPFCVPT-FIBWVYCGSA-N 497.614 5.325 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1813832560 BLYVVBVEYWADAY-QPPBQGQZSA-N 451.998 5.131 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c1 1813868361 LYGZOBBAKOHIGG-XYLFZYAMSA-N 470.617 5.165 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1813963252 NWKMBPBAXKRYMS-AUSIDOKSSA-N 489.513 5.328 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)[nH]n1 1814441599 NZNWPIYMRHCBFF-QFIPXVFZSA-N 460.582 5.098 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)[nH]n1 1814443004 GWNSCHXMZKPCLY-HSZRJFAPSA-N 475.593 5.265 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)cc1 1814500565 VZTWYMLHZGGMAG-HXUWFJFHSA-N 482.371 5.137 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c(F)cccc2Cl)n[nH]1 1814670517 LSCBVXFCRICYED-HRAATJIYSA-N 458.965 5.205 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)n[nH]1 1814687331 CTVWCOZDLZOESJ-INIZCTEOSA-N 471.772 5.017 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)n[nH]2)c1 1818593454 RFUAPXNEMZXZRB-QFIPXVFZSA-N 490.926 5.175 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818970182 GJKYFYZHNZTGRI-QHCPKHFHSA-N 496.011 5.208 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)ccc1F 1819029582 WDGPMTOASXZQGV-GOSISDBHSA-N 493.589 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[nH]n1 1819303959 USEYYXSSSRDMMX-WIOPSUGQSA-N 487.604 5.488 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)[nH]n1 1819308153 XACRXWLPSRECEC-DHLKQENFSA-N 469.589 5.546 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1819386747 GYLPHDDQSAJMKR-HSZRJFAPSA-N 493.659 5.387 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3ccccc23)n[nH]1 1820733511 UTZYCLNVKPTCSE-DEOSSOPVSA-N 489.696 5.177 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1cccs1 1821279793 IQJMIXJBCVNESQ-IFXJQAMLSA-N 467.982 5.106 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1Cl 1823212666 KZKCXFOTKSGECM-GAJHUEQPSA-N 475.980 5.618 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4scnc4c3)[nH]n2)c1 1823214115 AIBKFTRQTWERML-KSFYIVLOSA-N 484.585 5.266 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216812 BPYZXRPBBAUUMK-UWJYYQICSA-N 488.617 5.163 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)c(F)c2)CC1 1823988812 TVYNSGVKFYRVDW-URXFXBBRSA-N 461.021 5.410 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](C)Oc2ccccc2)CC1 1824144908 MABQCMCNTHLWRO-GJZUVCINSA-N 452.639 5.232 30 20 JKED O=C(c1cc2c(ccc3ncccc32)s1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824411614 VVDICDVKQRRYHX-DEOSSOPVSA-N 471.626 5.096 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1824501714 URYKAYAJHCLSNG-QFIPXVFZSA-N 484.534 5.061 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824806996 OKOKOZIVXJVIOA-JWQCQUIFSA-N 482.665 5.025 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824871289 RVLKTCHDIPLOCB-NRFANRHFSA-N 468.947 5.044 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1824962234 GAVQWYPWLHHFGZ-AREMUKBSSA-N 462.659 5.506 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1825464507 HZNILHCCJWAJSV-NRFANRHFSA-N 474.743 5.041 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccc(C)cc3s2)CC1 1826202791 SELBUHFQQOLBLA-QFIPXVFZSA-N 451.636 5.032 30 20 JKED COc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC#N)CC2)cc2ccccc2c1Cl 1826692288 KTABFJNKCJUHHM-JOCHJYFZSA-N 467.997 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(F)cc(F)c3)CC2)c1 1827181490 CXMUBPIFOOKDBF-BCHFMIIMSA-N 479.571 5.068 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)cc1 1828190914 PQBBCNHZTCRXRX-DEOSSOPVSA-N 455.558 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828423106 YTRRZIXUINMMAU-PQNGQFLHSA-N 454.577 5.292 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cnc2C)CC1 1828822930 NUBHREYMPMBMFC-GMAHTHKFSA-N 488.470 5.154 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1829068925 YLWCHUFOSAGFIU-RUZDIDTESA-N 479.665 5.261 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ncsc3[nH]2)CC1)c1ccccc1 1829131793 XBXSPESZOIPSKX-RDGATRHJSA-N 488.657 5.055 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2SCC)CC1 1829867121 QJZCZGOWXUFUEB-VXKWHMMOSA-N 455.668 5.195 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1 1829899776 UTAOHKWAOCRMBB-QFIPXVFZSA-N 471.935 5.037 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 1829956253 BJLVLTLDMVCOCJ-XMMPIXPASA-N 483.534 5.053 30 20 JKED C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830360147 GVOGPTSQINBTHM-IDISGSTGSA-N 475.608 5.053 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)CC2)c(C#N)c1 1830423258 KCMAYKHMNAVPLI-HHHXNRCGSA-N 493.692 5.336 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(Cl)c3)CC2)C1 1830472079 OOEQARPYLDOMCA-QHCPKHFHSA-N 459.030 5.327 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)c[nH]c2c1 1830720983 QXQGGFYUDSJXPC-WBYFNBFHSA-N 498.602 5.434 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)c(Cl)c1 1830722393 HGRRVOFJHPKYJW-HSZRJFAPSA-N 489.925 5.176 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)ccc2[nH]1 1831035586 UKVHXGUTVATQTG-HBRDYDSTSA-N 489.641 5.210 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)s1 1831140533 UVLZBPRTEYOSTI-DEOSSOPVSA-N 492.689 5.223 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1831371419 ZBEIZEMGGDSKNA-KBMIEXCESA-N 481.587 5.472 30 20 JKED CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1831382456 UXKMRQJHBKWDIV-JOCHJYFZSA-N 463.544 5.247 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/O[C@H]2CCCCO2)CC1 1831577668 OTAMEGTYXHHPBJ-LLWWMSDWSA-N 477.690 5.132 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)CC2)c1Cl 1831690950 WSRFFDNXBHDYLZ-XMMPIXPASA-N 481.999 5.217 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1832034092 IVMINRNRBHLWJJ-XMMPIXPASA-N 455.042 5.185 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnn3-c3ccccc3)CC2)c1 1832632502 SCYKDEWDHVMSJF-AJTFRIOCSA-N 495.627 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 1832633500 HZRUFXBVEJEUTG-MHECFPHRSA-N 481.999 5.653 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)c1 1832635385 CLJQMHKUCHUSKY-BCHFMIIMSA-N 479.571 5.068 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1832651203 XTPVCERQJJEOQM-URLMMPGGSA-N 499.655 5.076 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)CC1 1832681326 BUBBJNOAJUSIRM-SVBPBHIXSA-N 464.650 5.477 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1837685346 NPGMIZHZDGPMPR-LXFBAYGMSA-N 466.666 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(C)snc4s3)CC2)CC1 1838027273 VRHZSKAUBASQKD-HXUWFJFHSA-N 487.691 5.047 30 20 JKED C[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1)c1ccccc1 1838535902 OSUOIZKHWMGUGP-FQEVSTJZSA-N 494.035 5.018 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)C1 1845638246 SNYMIDSKSKBKSF-UHFFFAOYSA-N 490.829 5.169 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)cc1 10173525 AEHMEUSFOHBZDI-UHFFFAOYSA-O 451.562 5.744 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccccc2CC)c1 10174460 AQFQVKAHVZRLFB-UHFFFAOYSA-O 468.440 5.912 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1ccc(F)c(F)c1 10179185 XERSDQFIFCOKSM-UHFFFAOYSA-O 454.305 5.316 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)o2)cc1 10350700 PZQISTDMWBQTMH-UHFFFAOYSA-N 484.025 5.584 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760494 KUFXSKIOEYYCRL-UHFFFAOYSA-O 491.986 6.999 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 10760553 FHMYRJIXGRMZME-UHFFFAOYSA-O 470.033 6.732 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1 10760590 PAGPBESVWBCHNU-UHFFFAOYSA-O 468.017 6.313 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(C)c2)c1C 11259121 RJRASAZFYSXYCI-UHFFFAOYSA-O 485.029 5.417 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCc3csc(Nc4ccc(C)cc4)n3)nnc12 12427380 YTIHLYDIXGALSB-UHFFFAOYSA-N 460.588 5.031 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cccc(CC)c2)cc1 14872189 FXQVZVDYAQUMJE-UHFFFAOYSA-O 472.461 6.847 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nc2ccccc2c1=O 15230999 QBCXNBXPARTDDO-XMMPIXPASA-N 471.582 5.453 30 20 JKED C=CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 17724531 UHCARURPSJXAQA-IBGZPJMESA-N 467.641 5.294 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(CC)c1cccc2ccccc12 21125457 PEXKLNGPAIHICY-UHFFFAOYSA-N 476.577 5.481 30 20 JKED C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 21643289 CQCIUJJNLKEBCO-SFHVURJKSA-N 491.617 5.621 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)N(CCC#N)c1ccccc1 21684969 PCIANYLSBZOYHU-IBGZPJMESA-N 457.559 5.014 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)N(CCC#N)c1ccccc1 21685069 IVJUYFUTEFIHBU-SFHVURJKSA-N 492.004 5.667 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccncc1 23338906 LZEVUMZOULMTEN-RXJRQCNISA-N 474.634 5.049 30 20 JKED C[C@@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 32875839 JGADIGNUFYWQPJ-FGZHOGPDSA-N 488.661 5.242 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 68792363 KNNTWCCPSUOCQK-UHFFFAOYSA-N 491.016 5.743 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)ccc1SC 72050202 NZABXLGQPBFIRU-SOFGYWHQSA-N 460.527 5.733 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 108739491 OUQHLKPKWSSDJJ-XMMPIXPASA-N 470.548 5.170 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1 116552893 MGMZVXVNPFMMSA-BGYRXZFFSA-N 471.557 5.221 30 20 JKED Cc1ncc(-c2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2)o1 195679145 MSYGCBOOOAXGTM-UHFFFAOYSA-N 468.538 5.505 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1oc2ccccc2c1CSc1ncccn1 195731018 LRIPWMMINVNRAZ-UHFFFAOYSA-N 460.584 5.050 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cs1)c1ccc(F)cc1F 208894803 VBSIJAYKMBPKQP-OWBHPGMISA-N 460.505 6.669 30 20 JKED Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=Nn1cnc2sc(C)c(C)c2c1=O 254287350 YBELWJWOVZFRDE-UHFFFAOYSA-N 473.533 5.383 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c4c(cccc24)CC3)c1 302895640 GYXDIUHZXWCYKA-UHFFFAOYSA-N 463.562 5.793 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 409641647 ZLTKGSGOYRSBQL-UHFFFAOYSA-N 497.368 5.133 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 409826642 FGRGNAMOKDRYEO-SFHVURJKSA-N 499.379 5.437 30 20 JKED CCOc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1S(=O)(=O)N(CC)CC 482067359 MGFFBHGIKKTFEO-UHFFFAOYSA-N 493.585 5.032 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cn2)c1 482907065 KOFADMGLSLIFOS-UHFFFAOYSA-N 451.482 5.476 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 487976303 ROINKPFUVNGTME-UHFFFAOYSA-N 476.508 5.208 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2OCC)nnc1-c1ccc(Cl)cc1Cl 489636384 TYWJHOJRJQPODO-UHFFFAOYSA-N 491.444 5.587 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H](CN4CCCCCC4)C3)c2)cc1 491549744 ICXALQKCKAOPAC-RUZDIDTESA-N 460.622 5.452 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 496313531 OYESXSQEBFTMOF-UHFFFAOYSA-N 476.573 5.569 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccccc1Sc1ccccc1C#N 499923022 BAJONQPFTSQBHQ-UHFFFAOYSA-N 453.567 6.069 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2ccc(COc3ccccc3C#N)o2)c1C 500707580 YUFWSLSWAANCNW-UHFFFAOYSA-N 454.530 5.113 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 508162866 OOMDNTLIBNXAND-UHFFFAOYSA-N 492.579 5.614 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H](c3ccccc3)c3nccs3)c2)c1 509207351 ATLLGGCINZGGAC-JOCHJYFZSA-N 453.527 5.178 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(C(=O)NCc4ccco4)c3)c2)cc1 509912075 NPARDINUNGDYJY-UHFFFAOYSA-N 494.551 5.176 30 20 JKED COc1ccccc1SC[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510338049 POJQPRCPOUKRTG-GOSISDBHSA-N 489.597 5.151 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 510502750 PWPYDKOBQKYXQH-UHFFFAOYSA-N 455.436 5.751 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 510872233 LRPSXISDECAHNE-OAQYLSRUSA-N 454.530 5.542 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@@H]2c2cccc3ccccc23)CC1 512577830 NHEFOCLTCSZUNT-XMMPIXPASA-N 466.541 5.540 30 20 JKED C[C@H](NCC1(c2ccc(Cl)cc2Cl)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 513174518 UZFLSJJIFGEFGW-AWEZNQCLSA-N 466.796 5.183 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2CN2CCCCC2)cc1 514018747 WQDXKAKJAANOJW-UHFFFAOYSA-N 470.592 5.595 30 20 JKED COc1cc(CN(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OC(F)F 515473723 QBVFDQKELIKROU-UHFFFAOYSA-N 480.471 5.084 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc2cc(Cl)ccc2s1 515540024 BLTXHNGVMKDNCT-CYBMUJFWSA-N 472.378 6.407 30 20 JKED COc1c(Br)cc(Cl)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 515785824 MJMCHUOBBUAYPC-UHFFFAOYSA-N 461.699 5.407 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 516243042 ZPHQMWUNAHDYLB-UHFFFAOYSA-N 460.405 5.535 30 20 JKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 516281613 ASFGLIKEKGXKGF-UHFFFAOYSA-N 477.564 5.472 30 20 JKED COc1cccc(/C=C\c2cc(C(=O)N(C)C[C@@H](C)C#N)c3cc(Br)ccc3n2)c1 516802277 CCMUIGUUJWYKTR-GQSKFBFOSA-N 464.363 5.408 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 517462049 ZKFDRHLKGXXIQX-HJPURHCSSA-N 454.567 6.689 30 20 JKED Cc1nc(CCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)oc1-c1ccc(Br)cc1 517491666 BDLFPKFZQAQNLC-OAQYLSRUSA-N 480.406 6.024 30 20 JKED N#Cc1cc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)ccc1OCC(F)(F)F 518588206 AFYKAZLLOFQCJN-IBGZPJMESA-N 493.894 5.059 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1C 518912457 MTMOSXQZCPXSAG-UHFFFAOYSA-N 478.556 5.977 30 20 JKED Cc1csc([C@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)n1 519945834 SORDADUHEXDPRT-GOSISDBHSA-N 463.360 5.557 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1)c1ccccc1 521419772 DFRQHYVDLYKHAS-UHFFFAOYSA-N 454.574 5.596 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 521725987 KBGOPSAQJYWWLT-MRXNPFEDSA-N 494.414 6.205 30 20 JKED CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cc1 521726903 SJBFYYBTOUBGGJ-GOSISDBHSA-N 495.626 5.390 30 20 JKED COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 521733493 HLVMIJMUILBQOU-SFHVURJKSA-N 495.626 5.024 30 20 JKED C[C@@H](Nc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1Cl)c1ccccc1 522117988 AJQVYQQCFFSELT-GOSISDBHSA-N 482.005 5.843 30 20 JKED C[C@@H](Sc1ncccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCCC1 522392827 CBBZPHHYFKFEHZ-GOSISDBHSA-N 472.570 5.101 30 20 JKED C=CCn1c(SCc2nnc(C(C)C)o2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 524030778 GSIWTXQTKGUUNX-UHFFFAOYSA-N 456.568 5.557 30 20 JKED COc1ccc2ccccc2c1CN(C(=O)CCc1c(C)nc(O)c(C#N)c1C)C1CCCC1 524388816 ZTNFCLRYLCAZTL-UHFFFAOYSA-N 457.574 5.342 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 603590631 LEBAFZCEUJQHQE-UHFFFAOYSA-N 481.581 5.177 30 20 JKED N#Cc1c(CCCNC(=O)c2sc3cccc(Cl)c3c2Cl)nn(-c2ccccc2)c1N 603593913 UIGUMSJVTLLYJL-UHFFFAOYSA-N 470.385 5.210 30 20 JKED CSc1ccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)N2CCc3sccc3C2)cc1 603669361 BRMSZWNXHNUBQX-DEOSSOPVSA-N 461.656 5.190 30 20 JKED N#C[C@H](C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838949 VJWFMEDBFWQHCA-GFCCVEGCSA-N 462.270 5.244 30 20 JKED Cc1nc(-c2ncccn2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603962107 DGQYZEDLCLOHRY-UHFFFAOYSA-N 486.504 5.099 30 20 JKED Cc1ccc(-c2nc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cs2)cc1 604004061 XILFYEFCPBJPAC-UHFFFAOYSA-N 453.567 5.945 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3c(F)cccc32)cc1Cl 604141144 UMTLJGUADDZOQQ-UGKGYDQZSA-N 479.964 5.426 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)c3ccccc3)cn2)c1 608937467 ZPSRRQBZAXGCLT-GPUOULLFSA-N 466.541 5.158 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccc(F)cc34)CC2)nc1 608951155 URIPHIXTPLBEPN-UHFFFAOYSA-N 485.538 5.098 30 20 JKED Cc1nc(SCC(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c(C#N)c(C)c1C 609021878 VFDWNEGJWZDEOS-UHFFFAOYSA-N 460.531 5.334 30 20 JKED CCOc1ccc(Br)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 609065854 XOPUUZQIUIAIDU-UHFFFAOYSA-N 453.361 6.123 30 20 JKED CCOc1cc(NC(=O)c2cc3ccccc3n2CC#N)c(OCC)cc1NC(=O)c1ccccc1 609160571 AZMZJSZMTFYRHU-UHFFFAOYSA-N 482.540 5.467 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2cc(Cl)ccc2c1=O 609369850 ONLLYNZWQLAVRM-HNNXBMFYSA-N 485.034 5.361 30 20 JKED COc1ccc(CN2CCC(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 609435909 BHRLTHWQEKEKOR-IBGZPJMESA-N 452.624 5.123 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc2cc(Cl)ccc2s1 613403931 XJTRHOGSRDIKQN-ZDUSSCGKSA-N 457.740 5.592 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1nc2ccccc2n1C(F)F 613404451 RNBFMDCPQWLJGI-INIZCTEOSA-N 477.858 6.021 30 20 JKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2C(F)(F)F)cc1 613407503 VQRHKCAQHPMVQV-CQSZACIVSA-N 460.868 5.953 30 20 JKED C=CCn1c(S)nc2cc(C(=O)N(C)CCCCCc3cc(-c4ccccc4)no3)ccc2c1=O 725901636 RRZIVVKGPAAHRR-UHFFFAOYSA-N 488.613 5.011 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1Cl 725970460 WJTLDTYEJLBDBQ-UHFFFAOYSA-N 479.867 5.078 30 20 JKED C[C@@H](OC(=O)c1ccc(-c2ccccc2Br)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 726023310 TUOKPMQXELSGPW-CYBMUJFWSA-N 498.402 5.060 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 726319928 QAMALHZLGXXSMO-OAQYLSRUSA-N 485.531 6.062 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2c(F)cccc2F)cs1 726328791 LTPQRQKSKHBYID-CQSZACIVSA-N 481.505 5.359 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 726399790 OOYMJBFDNHHKCW-BEFAXECRSA-N 479.524 5.091 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccc(C)n2)cc1F 726412347 RIKMJDGJNOHYMU-HSZRJFAPSA-N 492.576 5.007 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(OC)c(F)c1 726413575 YOEKXTKEKLRBOK-FQEVSTJZSA-N 493.988 5.175 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)[n+]2ccc(CC)cc2)c1 726573182 PEPRULJLRKAPHD-UHFFFAOYSA-O 477.609 6.633 30 20 JKED CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(OCCCC#N)c2)(c2ccccc2)CC1 727139931 NYDCQHBATOJRSI-UHFFFAOYSA-N 463.578 5.277 30 20 JKED Cc1c(NN=Cc2c(Sc3nc4ccccc4s3)nc3ccccn3c2=O)cccc1[N+](=O)[O-] 727973488 NRGHDHMIUIRBMT-UHFFFAOYSA-N 488.554 5.118 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 728186278 WOQZAJLGCJZLJP-UHFFFAOYSA-N 498.604 5.048 30 20 JKED CCN(Cc1cccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1)C(=O)C(F)(F)F 728270888 OTIGZCWWCZTJTD-UHFFFAOYSA-N 468.479 5.129 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccc(C)n2)c(C)c1 728423513 NLXMFJDFCWLRCA-DEOSSOPVSA-N 483.597 5.039 30 20 JKED Cc1cc(Br)ccc1NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1 728432907 IEMYZGHQRGYZGH-UHFFFAOYSA-N 457.397 5.164 30 20 JKED N#C[C@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc(-c2c(F)cccc2F)cs1 729895348 YPOQZVJEUIKMRM-LLVKDONJSA-N 462.403 5.333 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)cc1F 730445248 VOJOWUBHIDJFBJ-JOCHJYFZSA-N 498.555 5.081 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CCC2)cc1 730460883 ICJWDFRJEFYZSL-QHCPKHFHSA-N 459.571 5.361 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3c2CCC3)c(F)c1 730688188 TVFWJSOCAGWWKD-HNNXBMFYSA-N 471.319 5.077 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 730692103 SSUNLUCVEVUFSR-FOIQADDNSA-N 475.353 5.623 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730727187 NTDMQUFXLRRMIH-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)n(Cc2ccco2)c1C 730878629 SJSMNSAEXNUFFQ-RPWUZVMVSA-N 467.525 5.057 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 731071909 ZXONCVUUGFHPMD-LBPRGKRZSA-N 462.358 5.522 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)ccc2F)c1 731313507 YJIBVSWSMLAJFG-HSZRJFAPSA-N 493.560 5.009 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c(F)c1 731400079 KZXQLRRPDJOFPN-UHFFFAOYSA-N 458.493 5.046 30 20 JKED CSc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 748148738 XDTZHJAGAWAGQJ-DHDCSXOGSA-N 456.539 6.040 30 20 JKED N#Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)ccc1Cl 787093915 PZIYUOVQRWCNJO-UHFFFAOYSA-N 486.380 5.259 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1cccc2ccccc12 799218046 VBKXETRXDVAZHP-LJQANCHMSA-N 457.477 5.362 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc4ccccc4c3)nc(O)c2C#N)cc1 824947046 HAZBJXCMSUEZPM-HNNXBMFYSA-N 456.527 5.002 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)cc1 837875209 GRIACGYYSJSGMO-YKSBVNFPSA-N 472.614 5.728 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)cc1 837913588 HANKEALWJVFSLK-XMMPIXPASA-N 478.662 5.082 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C[C@@H]2CCCO2)C1=O 838544575 AHDVTUVFEGCNOT-YWZLYKJASA-N 493.963 5.066 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 914689902 CUUDOXBPBOQLOT-LHSJRXKWSA-N 487.503 5.288 30 20 JKED N#CC(CCOC(=O)Cc1csc(NC(=O)c2ccccc2)n1)(c1ccccc1)c1ccccc1 914896101 XUNQPISIGRCYJC-UHFFFAOYSA-N 481.577 5.381 30 20 JKED N#C[C@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2ccc(Cl)cc2)cs1 915101526 IHYRRCYJPWFKIG-AUUYWEPGSA-N 474.394 5.796 30 20 JKED N#C[C@H](C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1nc(-c2ccccc2)cs1 915102133 NLINEQREZNZKSO-OAHLLOKOSA-N 474.592 5.186 30 20 JKED Cc1cccc2c(=O)n(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cnc12 915103371 UGPHMOJHSXZSHR-QGZVFWFLSA-N 483.380 5.402 30 20 JKED Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc(OCc4ccccc4C#N)cc3)cs2)cc1 915513544 AFJNLUMSBTXWIK-UHFFFAOYSA-N 497.576 5.440 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2COCc2ccccc2)cc1 915763876 LPPOKPSMZOISAM-LJAQVGFWSA-N 489.575 5.314 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1OC 915870579 RXXNZEIXCHDSFM-GXDHUFHOSA-N 496.485 6.183 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2COC)ccc1Cl 916057534 RUSBEMSWTHSFHU-UHFFFAOYSA-N 470.978 5.120 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916211890 GODCSNAJAQGKDS-KRWDZBQOSA-N 479.345 5.024 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)nc2ccccc21 916845165 PCCCNSCMXCQVDI-WMZHIEFXSA-N 460.331 5.332 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1nccn1-c1cc(C)ccc1C 916905938 FTLZCYSFFKJGHG-NRFANRHFSA-N 460.603 5.054 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OCC 917026707 MLCWLPBAYQPKBR-KRWDZBQOSA-N 485.403 5.789 30 20 JKED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CC2(C/C1=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc12 917517853 MDCJYTPDXIYUSC-LRVMPXQBSA-N 481.464 5.223 30 20 JKED CC(C)c1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cccc(O)c2)c1 917613661 LRHXBLAFRUVGAL-UHFFFAOYSA-O 490.649 5.923 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cccc(C)n3)C2=O)c1 917661818 QIXJKUSOGBICQM-DEOSSOPVSA-N 488.613 5.176 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 917674969 CKCMVTRRMYMYSP-QHCPKHFHSA-N 488.569 5.372 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cccc(C)n3)C2=O)c1 917680677 GJBBBKITJGRPQC-JOCHJYFZSA-N 495.004 5.213 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2c[nH]c3ccccc23)C1=O)NC1CC1 917700541 JGKIGCNHUUJMSB-RUZDIDTESA-N 482.609 5.164 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H](C#N)Cc2ccccc2)cc1Cl 917900117 YPMJLULQTPKPTC-BWCLHNGZSA-N 480.014 6.022 30 20 JKED CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 918430478 ZINVSEMHFIUANG-XMMPIXPASA-N 474.992 5.097 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918443880 JJPHIGBAHJUOAW-JOCHJYFZSA-N 452.341 5.246 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1 919714244 XOKDROSWRCYPIL-LEWJYISDSA-N 464.352 5.640 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 919909962 CUMJXKQUAXGKEY-UHFFFAOYSA-N 474.008 5.198 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 919959146 PHQABNGGCQVGQD-SANMLTNESA-N 485.540 5.534 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c(C)c4ccc(OC)cc4oc3=O)n2)cc1 920143523 REMBEJKEMMHUHM-OAQYLSRUSA-N 474.538 5.051 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cc(C)on3)C2=O)cc1 920352966 WLNZAWUFMZFCNB-NRFANRHFSA-N 462.575 5.069 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2cc(C)on2)C1=O 920353114 BCJZLFJJPVFCJU-QHCPKHFHSA-N 492.601 5.241 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2ccc(C)cc2C)cs1 920362253 SMTXSKOPAMDNRB-UHFFFAOYSA-N 491.564 5.784 30 20 JKED CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807051 WVWMDGMZGVNKJV-APWZRJJASA-N 486.519 5.072 30 20 JKED C[C@@H](OC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C#N 920913043 SCSCJTFYLUZAQI-CYBMUJFWSA-N 456.285 5.236 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3c1oc1ccccc13)C2 1779273715 BYNOXFIZHQKSOV-FIYUJZNDSA-N 486.612 5.482 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)C2 1779274238 PODIDWUAQHXMTO-SNYIIPAISA-N 498.973 5.255 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1781740556 ZPHHZKYENAVEHZ-FXBCZQQTSA-N 487.644 5.154 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)cn1 1785779265 LFKAEZYFXBOEIO-UHFFFAOYSA-N 482.584 5.077 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1785936767 VKSFFNPNHZEFBF-UHFFFAOYSA-N 466.541 5.725 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)CCC1 1786000398 HSRCPTNHRDHJMG-UHFFFAOYSA-N 456.542 5.309 30 20 JKED O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1 1787876966 NOZLFCHDSDEYGY-UHFFFAOYSA-N 462.365 5.545 30 20 JKED CC(C)(C)OC(=O)N[C@H](CC(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)C1CCCCC1 1787885488 GJJAQCJNOPZJEX-HSZRJFAPSA-N 496.652 5.288 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)CCC2)cc1 1787888805 BLNHANCJTMOERI-UHFFFAOYSA-N 473.495 5.459 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)cc2)CCC1 1788682819 CWUQZTOGWHMELW-GOSISDBHSA-N 459.546 5.310 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)c(C(F)(F)F)c1 1788728407 WDSMVGGYPUSTNN-UHFFFAOYSA-N 458.484 5.139 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc4cccnc4s3)cc2)CCC1 1788970321 POVPWXIPFHHFBU-ZHACJKMWSA-N 487.606 5.545 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccn4ccnc4c3)CCC2)cc1)c1ccccc1 1789600872 SQFFIWKDSJNLRZ-SANMLTNESA-N 476.580 5.279 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccn4ccnc34)CCC2)cc1)c1ccccc1 1789600889 UKUFDXMRDCKYPQ-RUZDIDTESA-N 476.580 5.279 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789993640 LYOSYRLOBABOGG-SFHVURJKSA-N 499.571 5.372 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4N)CCC3)cc2)c1Cl 1790081784 MUQPKSJYHRIBMI-NTEUORMPSA-N 470.960 5.255 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccc(Cl)cc5n4)CCC3)cc2)cc1 1790707291 ISQAPMXRHJLZHN-UHFFFAOYSA-N 483.959 5.115 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)ccc5[nH]4)CCC3)cc2)c1 1790764155 YAEPCMZCXNKZRP-UHFFFAOYSA-N 470.479 5.379 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ncccc5[nH]4)cc3)CCC2)cc1C#N 1790842805 MPBSYXMAMVHZQH-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cnc3OCC)CCC2)cc1 1791300629 STWPZQUZGNFQPQ-UHFFFAOYSA-N 463.912 5.093 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)CCC2)cc1 1791593619 XKJGLFFFCAMWFI-UHFFFAOYSA-N 470.451 5.079 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)c1 1792123689 BHAZVPCQUXNXNY-MYUZEXMDSA-N 463.528 5.807 30 20 JKED Cc1ncc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)s1 1792123904 FZFGSFNXMXGGRR-IENJSVCTSA-N 470.598 5.540 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c(F)c4)CCC3)cc2)c1 1792127165 RKVZBKDJNZZTCO-QGZVFWFLSA-N 457.505 5.220 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)CCCN(C(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1792387516 AYLVUXRGJOSDCU-MUUNZHRXSA-N 495.664 5.514 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1793575770 JIPAQTQWRINTRN-QEIWAGNOSA-N 498.623 5.867 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 1794715882 PAZNOTPMBGWQND-PLACYPQZSA-N 486.538 5.116 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(-c3ccccc3)ccn2n1 1796552154 LRFYMCRMPAIKGQ-OUJSJNLKSA-N 468.601 5.022 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(F)c(C(F)(F)F)c1)C2 1798422847 ZMDNCIMNFYRZOK-ACDBMABISA-N 496.621 5.076 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)Cc3ccc(CCCCC)cc3)[C@@H]2c2cccnc2)C1 1802414486 SQPXLURSINIWED-LEAFIULHSA-N 459.634 5.029 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)[C@H]1c1cccnc1 1802494021 AKNOGDODTUNEJR-OZXSUGGESA-N 492.639 5.133 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1802958930 WNWSXJXXQYQULL-YTMVLYRLSA-N 480.612 5.029 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1803091503 NQCCCJPMMAPSNN-HYBUGGRVSA-N 496.995 5.040 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1803559688 CMJIWVWXODWQPB-POURPWNDSA-N 491.676 5.046 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)cc1 1803893325 KLSJXVOREIJCOG-REPLKXPHSA-N 490.818 5.403 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc5cc(F)ccc5s4)CC3)C2)c1 1805328113 AQEMNDCAKOBNSB-UHFFFAOYSA-N 489.616 5.390 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)C1 1806025565 MAAMOGKWOWVRSL-HSZRJFAPSA-N 497.639 5.338 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(F)c(C#N)c2)[C@H]1c1cccnc1 1808559587 DRJGDRMDAMETRW-NEKDWFFYSA-N 492.639 5.337 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cn(-c4ccccc4)c4ncccc34)C2)CC1 1810451721 SFUBSWQCTRNRDW-RUZDIDTESA-N 496.655 5.639 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1811304875 QVMKHSNGCMCNDG-SKCUWOTOSA-N 496.636 5.415 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[C@H]2c2cccnc2)C1 1811366807 DVCOZHFZPNJMLL-QVKFZJNVSA-N 495.904 5.179 30 20 JKED N#CCC(=O)N1CC[C@H](CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811403205 LBGATUXNOPFLFC-BWKNWUBXSA-N 498.549 5.381 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c1Cl 1811421446 ZUVXJLWBUINLRZ-HXOBKFHXSA-N 497.357 5.033 30 20 JKED Cc1ccc(-c2ccccc2C(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)cc1 1811539148 PTUYCZRNHARXCF-RPLLCQBOSA-N 478.596 5.071 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1811695425 QJDCBVMXSVTSGH-AVRDEDQJSA-N 488.415 5.182 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1812793117 YXWYQECHACDTBU-OPBMBUAESA-N 453.671 5.542 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)CC3CCC(C)(C)CC3)[C@@H]2c2cccnc2)c1 1813868704 QJAHZDAGNAZYGS-RSYZWFLXSA-N 486.660 5.635 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1813957009 ISMCFQDOGYJXBQ-OFNKIYASSA-N 487.566 5.721 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814379309 OOASPJLRBVZBOA-RUZDIDTESA-N 485.588 5.009 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CCCC3)n[nH]2)cc1 1814684573 UHLSKZNUFDXOCX-XMMPIXPASA-N 467.573 5.099 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCc3ccc(C(F)(F)F)cc3)n[nH]2)CCC1 1815152023 NDUJFTHOZUPUBT-HXUWFJFHSA-N 487.526 5.137 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(OC)cc2)n[nH]1 1817772429 SHVJFMKDDFQLIW-RCZVLFRGSA-N 499.615 5.555 30 20 JKED CC1=CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)CC1 1818809685 GSHWKRJLNQWPIN-CVDCTZTESA-N 475.593 5.121 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)[nH]n1 1819303080 BVUIYKFVBZVQDQ-QAPCUYQASA-N 493.942 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)[nH]n1 1819311044 JFIPYZBKYLUVCF-RDTXWAMCSA-N 462.928 5.416 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)[nH]n2)c1Cl 1820219092 KGLSCCAAPVSLQX-GOSISDBHSA-N 478.965 5.097 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4c(c3)c3ccccc3n4CC)n[nH]2)C1 1820225321 FVWYVFRSNZOJBY-SANMLTNESA-N 481.600 5.810 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)cc1 1821180171 YNDVJXMJLSDXCW-OAQYLSRUSA-N 481.478 5.114 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)ccc2s1 1821182701 XWZFGMZWEKGJGA-QFIPXVFZSA-N 484.585 5.014 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)[nH]n2)cc1 1821183383 YHNQCCPSQNATLF-OAQYLSRUSA-N 499.468 5.253 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1821988596 YNZFZOCXDADOHW-MRXNPFEDSA-N 489.504 5.050 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(Br)cc2C)[nH]n1 1822580832 BPKNSDKRRVYMBV-MRXNPFEDSA-N 477.428 5.042 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)[nH]n1 1822584373 LWQRCZXMCSDUFP-HXUWFJFHSA-N 496.409 5.153 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1823750704 FLUAUOKRRTYLPM-HSZRJFAPSA-N 493.614 5.645 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1823885883 KYIUXFCTLYYFBA-OAQYLSRUSA-N 486.538 5.037 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824352595 JEVQCPBQJDXQQM-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1824533770 KOKRBWIMKAPUAS-BULFRSBZSA-N 451.076 5.018 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1824536167 ZYIKWVKTBKJBNU-ZEQRLZLVSA-N 471.642 5.009 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2F)CC1)c1ccc(O)cc1 1824730035 YEHVIVRHYBJYFH-QPPBQGQZSA-N 482.621 5.023 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)CC1 1824779165 JEEGCSWVEDDNFW-VPUSJEBWSA-N 459.634 5.165 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1825208899 IFRKUUITFGETDR-QFQXNSOFSA-N 477.674 5.550 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)CC1 1826201858 JDXCLGPSHZWRGD-KRWDZBQOSA-N 471.589 5.388 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826672117 FBKMQOCUYBQESG-GOSISDBHSA-N 482.440 5.420 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 1828906842 KWEWPWHFTACWLQ-XMMPIXPASA-N 474.668 5.249 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2Cl)CC1)c1ccccc1 1829032117 JLGKWIRFILZOBQ-OZXSUGGESA-N 478.036 5.166 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1)c1ccccc1 1829033256 TYDFMLDRHUZTGH-IZZNHLLZSA-N 487.669 5.431 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829581576 BYGIBVMFTIDVDY-QFIPXVFZSA-N 461.631 5.191 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622424 GOPKKZRPFGUVQA-GBXCKJPGSA-N 475.658 5.158 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3F)CC2)c1Cl 1829689456 GDXFLYCFQIZCKO-NRFANRHFSA-N 471.935 5.037 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c1 1829897442 ZSNGBAIXNSEEGR-UQBPGWFLSA-N 464.009 5.514 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)c[nH]c2c1 1830016359 JUJRVRUIBSBTDC-LNMUWQJVSA-N 480.612 5.295 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830418260 RYGMORDFFTUGHB-HOFKKMOUSA-N 492.664 5.128 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2OC)CC1 1830662447 LWBUCRKDSOFBEC-NRFANRHFSA-N 462.581 5.199 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)cc1 1830750216 MPSIRHXQXZSVKU-MHZLTWQESA-N 455.602 5.177 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770522 AHAFKYQZYPAUTO-XMMPIXPASA-N 480.008 5.076 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@]23CN(Cc2ccccc2)C[C@@H]3C)CC1 1831854057 QKRSMVIALYJHNF-FGFMNRMISA-N 491.720 5.121 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C2=COCCC2)CC1 1831920085 SISKWJBPFKBAQS-LJAQVGFWSA-N 482.624 5.014 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)ccc1F 1832555711 DYYAEVRAJVWHDV-MHZLTWQESA-N 473.592 5.051 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1832633857 OLOHGKDBSQOHDV-FNZWTVRRSA-N 461.581 5.308 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634579 XAKAPPLEVIKNIX-LVXARBLLSA-N 489.664 5.201 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635724 PYFDKYDWFMXUAF-FNZWTVRRSA-N 461.581 5.308 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705362 UTGLDYJSLBHREN-IBGZPJMESA-N 496.467 5.810 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1834458313 AEIZYPGDAXGTNL-HOFKKMOUSA-N 481.725 5.380 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)CC1 1838743294 QJJSRCBRUMZNJN-GOSISDBHSA-N 481.464 5.137 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)c1ccccc1n2CC 1847532637 OHIGXUGDYAMQCR-SVBPBHIXSA-N 455.602 5.398 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1ccccc1Cl 10826221 XLLWSZLCVWKRHI-UHFFFAOYSA-O 453.971 5.012 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159370 VLUNRQSZQYBVIZ-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11263375 VQLTWWAXXNWQNB-UHFFFAOYSA-O 476.710 7.007 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2CC)c1 14428094 HQOBKTIDOKNJJR-UHFFFAOYSA-N 469.006 5.844 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc3c(c2)CCCC3)c(Cl)c1 15248300 OVBXKFRJHWJTHZ-UHFFFAOYSA-O 495.024 6.082 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c(Cl)c1 15248324 OWSBSUYIYRNSDQ-UHFFFAOYSA-O 452.043 6.593 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)n(C2CCCCC2)c1C 16687594 PNVVLKSYIKVEHQ-UHFFFAOYSA-N 483.041 5.662 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CCCC3 16715451 PFVGHLMWEOHDQC-MRXNPFEDSA-N 453.633 5.259 30 20 JKED Cc1ccc(CSCCNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 17603717 NFSBYWHURZFTDY-UHFFFAOYSA-N 475.639 5.261 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)o3)o2)nnc1-c1ccc(Cl)cc1 21752027 VBYOXZHJTCKIHH-UHFFFAOYSA-N 478.759 5.482 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccc(F)cc1 24015005 DXJUEMOBSFADSM-SFHVURJKSA-N 490.604 5.571 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)c1C 28793540 XBFANRZVJYJRTF-UHFFFAOYSA-O 484.601 5.965 30 20 JKED COc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1OC(C)C 30492666 JUOCVEHSLDIXKU-SJORKVTESA-N 455.624 5.362 30 20 JKED CCCCCCCCCCCCCCCC(=O)C[C@H](O)CCCCCCCCCCCCCCC 85914148 YICMKZPWMNXNFS-JGCGQSQUSA-N 494.889 11.269 30 20 JKED endogenous,in-man COc1ccc(CSc2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)s2)cc1 104579385 JHTBHRHACIJOOL-UHFFFAOYSA-N 480.640 5.682 30 20 JKED C=CCN(C(=O)c1ccc(C(=O)OCC)c(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 106069194 VZDCZGUUPXQIEG-UHFFFAOYSA-N 476.385 5.830 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 255930634 LIBHNNYVMFQZRU-UHFFFAOYSA-N 482.915 5.446 30 20 JKED N#CC1(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)CCCCC1 303001293 YJZIVUHQRCEGIO-UHFFFAOYSA-N 473.598 5.038 30 20 JKED N#C[C@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(OCc2ccccc2)cc1 303180042 CTOUUUCPXPEDIB-DEOSSOPVSA-N 470.504 5.158 30 20 JKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1csc(-c2cccs2)n1)C(=O)c1ccccc1 303217052 UAUMTZKTSRSYKK-CPNJWEJPSA-N 474.563 5.548 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc4ccccc4c3O)cc2)c1 436678287 ZZPWBVSQTDKYCR-HHHXNRCGSA-N 491.547 5.239 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1SC 476514858 QGEGYFDJQVWRPB-NRFANRHFSA-N 466.006 6.390 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)s2)cc1 487420881 ZBPXQWMBLOOUJG-UHFFFAOYSA-N 450.523 5.309 30 20 JKED C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Oc2ccccc2)c(F)c1 498716440 GZXFFXDCEPXIST-SFHVURJKSA-N 466.534 5.186 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 501019941 KPANXOYEKMVPGA-UHFFFAOYSA-N 458.396 5.114 30 20 JKED CCc1sc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc1-c1ccccc1 501691371 RKFSERZBBGXPKE-UHFFFAOYSA-N 473.558 5.347 30 20 JKED CCOc1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OC(F)F 502253177 MKZODZKQBNNWOL-UHFFFAOYSA-N 454.498 5.640 30 20 JKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2)C1 502638506 WFGRVTFWYKFZNE-FQRUVTKNSA-N 474.605 5.536 30 20 JKED C=CCN(C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1nc2c(s1)CCCC2 502945717 PTMSMTFTTBSRDF-UHFFFAOYSA-N 489.685 5.687 30 20 JKED N#CCCN(CC1CC1)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 505213604 OUKIUBZYBZYPEP-UHFFFAOYSA-N 470.417 5.164 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCSCc3ccccn3)s2)c(C(F)(F)F)c1 513287326 SLGDVAFQABSWRB-UHFFFAOYSA-N 462.522 5.281 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 515540517 ZETLRWQGUNIXAH-CQSZACIVSA-N 484.915 6.197 30 20 JKED Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 516264266 KBLCQKIGIHDGNN-INIZCTEOSA-N 498.351 5.916 30 20 JKED C=CCN(C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516460510 DEELDJNEPFWGCB-GOSISDBHSA-N 498.670 5.498 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)n2)cc1 517800995 VSQUXIZTYPEEQA-KRWDZBQOSA-N 486.450 5.652 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 518651119 GLMRBDMVAKNMIZ-UHFFFAOYSA-N 456.550 5.048 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)n2)cc1 518912461 NNDPFASZMAKSQZ-JOCHJYFZSA-N 481.581 5.703 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)CC2)cc1 519011724 MLEMHZUWXWBQPE-UHFFFAOYSA-N 452.986 5.273 30 20 JKED Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1Br 520356426 VFENZLAOGJMZIL-UHFFFAOYSA-N 480.387 5.612 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1 520497996 PPOBANKXRIITAF-UHFFFAOYSA-N 461.522 5.094 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1 520831211 WPGWWCBPICVGNG-UHFFFAOYSA-N 482.584 5.057 30 20 JKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(NC(=O)Cc2ccccc2F)c1 520937910 LJJDFCRCZPISMM-MOPGFXCFSA-N 490.604 6.284 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)cc2)c1 521323980 AWNQOCGTSWEMNF-UHFFFAOYSA-N 465.847 5.775 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 522453141 OVUADXNXELLONT-QGZVFWFLSA-N 469.497 5.263 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1 522487700 HFATUUPOROBGNI-AREMUKBSSA-N 469.541 5.345 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 522995090 NNCICMDYIBRYFA-UHFFFAOYSA-N 453.589 5.589 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc(O)c4ccccc4n3)cc2Cl)c1 524391624 SOTWZWYBCYETMP-UHFFFAOYSA-N 472.932 5.401 30 20 JKED Cc1ccc(-c2noc([C@H](C)SCC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)cc1F 524614173 WFJCLBUWHZBMHI-ZBFHGGJFSA-N 470.595 5.869 30 20 JKED CC[C@H](C)Oc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 557281684 HYJJZQDDVNJWFZ-SFHVURJKSA-N 459.571 5.719 30 20 JKED COCCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)[C@@H](C)c1cccc(C(F)(F)F)c1 590376222 FCMCFDXHWFXAFC-LBPRGKRZSA-N 480.380 5.038 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 603706531 SIHUBMFDYHTOBH-RUZDIDTESA-N 490.563 5.564 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1Cl 603758832 JZZIRFYJLRKTIN-IBGZPJMESA-N 489.837 6.097 30 20 JKED CSc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 603838311 CYAOTNKTCRRDII-ZDUSSCGKSA-N 464.355 6.237 30 20 JKED C[C@@H](c1ccccc1)n1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 603917518 ZVMSUYXXNXFYFD-KRWDZBQOSA-N 473.989 5.810 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)c2)c1 604006974 GZGGKVQAMMXVCK-SANMLTNESA-N 483.568 5.074 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3cccc(NC(=O)C4CCCC4)c3)s2)cc1 604084986 QZENUDWGARQVIR-UHFFFAOYSA-N 492.630 5.152 30 20 JKED Cn1ccnc1Sc1ncc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1Cl 609011077 XTMBDTAGEOTXRS-UHFFFAOYSA-N 478.002 5.571 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609184652 AOAOSFTVCZSCQS-UHFFFAOYSA-N 471.504 5.693 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1[N+](=O)[O-])c1ccccn1 609426803 FGQMFEQOEKSQCN-GOSISDBHSA-N 479.496 6.079 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1 609435606 BAQJCQKEWUTEPZ-CYFREDJKSA-N 451.636 5.731 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(Cc2cccc(F)c2)CC1 612804565 QNSQSRIZRZJTTJ-HZPDHXFCSA-N 454.430 5.699 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)nnc1[C@H]1COc2ccccc2O1 613907888 MNQQXOUHFBECTO-JOCHJYFZSA-N 496.608 5.035 30 20 JKED Oc1nc(CNc2cccc(COCC(F)(F)C(F)F)c2)nc2cc(C(F)(F)F)ccc12 615325966 NNQOIERVAFZWEJ-UHFFFAOYSA-N 463.353 5.383 30 20 JKED C=CCN(C(=O)c1cccn(Cc2ccccc2)c1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 620327186 ZVCFNLQLSQCDTK-UHFFFAOYSA-N 496.419 6.160 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 620552315 OIZDLNSIEBEEAZ-QKLQHJQFSA-N 492.435 5.890 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282055 HKGARUQJSMDDAC-OAHLLOKOSA-N 471.485 6.119 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 642282434 RJBZQMPPJUWBGK-LLVKDONJSA-N 461.255 6.192 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCc2ccc(C)o2)C1=O 726418716 ANWXWJKYJREBHD-SHZNUGFISA-N 497.642 5.291 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OC)c(Cl)c2)cc1 726571354 UXAOHRFVJZFTSF-UHFFFAOYSA-O 485.416 6.047 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 727620832 NAGJXINBNOWILQ-XUZZJYLKSA-N 494.378 5.187 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c1 728181451 IMIQSDXZGLBOPR-UHFFFAOYSA-N 474.607 5.646 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2c(Cl)ccc(C)c2Cl)[n+]2ccc(C)cc2)N=C1C 728558496 NKNWDMIZUXDSCR-UHFFFAOYSA-O 489.448 6.215 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)ccc21 728766696 GICFFVDIEZNBDK-HXUWFJFHSA-N 471.529 5.180 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)cc1 728776886 FZKJKDYYBONWGC-OAQYLSRUSA-N 484.025 5.060 30 20 JKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)c2c1 730441684 LDYNKPDJKSZOTR-FQEVSTJZSA-N 464.525 5.097 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cocn3)C2=O)cc1 730712186 KBNZGVVOCLGUJI-HXUWFJFHSA-N 468.966 5.105 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)cc2Cl)c1 731108456 RNMAZPIXFLBAMY-SANMLTNESA-N 493.966 5.907 30 20 JKED COc1ccc(-c2nnc(SCc3ccc(OCC#N)cc3)n2-c2ccc(OC)cc2)cc1 731156132 IQUIULXBPWFCHE-UHFFFAOYSA-N 458.543 5.146 30 20 JKED N#C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1cccc(Cl)c1Cl 731195254 CBMFKODVPXJQEI-RTWAWAEBSA-N 451.309 5.442 30 20 JKED N#CC(CCOC(=O)[C@H](c1ccccc1)N1CCCCC1=O)(c1ccccc1)c1ccccc1 731251657 HHUDOWIOOIIYDK-MHZLTWQESA-N 452.554 5.183 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731304229 MKYAXZZBLGVBSY-LJQANCHMSA-N 491.585 5.610 30 20 JKED CSc1cc(-c2csc(=Nc3ccccc3C#N)n2Cc2cscn2)ccc1NC(C)=O 747602301 KHXYVGGATOBZKN-UHFFFAOYSA-N 477.640 5.506 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2)n1 748037225 ZJTXKVJGESIORT-FQEVSTJZSA-N 498.967 5.043 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 787834770 SWHCWOFRCZDWRP-QFIPXVFZSA-N 454.646 5.624 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)c2ccccc2)c1 791132519 LZHJMVFMNJOMIK-GOSISDBHSA-N 483.973 5.150 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(CC)c1 799223991 WMCLKAMUSUPOCU-GOSISDBHSA-N 460.386 5.149 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 825380721 SFOJPKROBLLCKF-UHFFFAOYSA-N 492.944 5.197 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837284293 KZOLKVOOPVCQIO-XUZZJYLKSA-N 486.641 6.037 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1C 837412265 AECXKLIQHKQGSV-SBUREZEXSA-N 494.567 5.698 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837659796 IXKCDZRKBDOFJX-UZUQRXQVSA-N 494.567 5.698 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccs2)C1=O)Nc1ccccc1F 837786434 BQQCBBWWSDDVRQ-IBGZPJMESA-N 473.982 5.701 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@H](C)c1ccccn1 838496190 ORSMUVOGGXKFIW-OPAMFIHVSA-N 495.004 5.465 30 20 JKED CC(C)c1cc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c2cnn(C(C)C)c2n1 899374273 HQKIGRYNYMYBFF-UHFFFAOYSA-N 457.534 5.044 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(F)c2)C1=O)Nc1ccccc1F 914772648 JGMVZSSEGXVWFE-OAQYLSRUSA-N 451.498 5.125 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 915180935 SQUWLRLMACWAIZ-XMMPIXPASA-N 491.934 6.048 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1 915350294 PZULQQUQIWQEGG-QFIPXVFZSA-N 485.385 6.176 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 915353793 QROVBMICGCLPML-DBUDQHHESA-N 482.628 5.235 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCCC3)C2=O)c1 916210994 JHAAUGMGTMISDN-NRFANRHFSA-N 488.009 5.260 30 20 JKED CC(C)(C)c1ccc(Oc2ccc(C=Nn3c(S)nnc3[C@H]3CCCO3)cc2[N+](=O)[O-])cc1 916367780 OINUFDPKPKHZQX-HXUWFJFHSA-N 467.551 5.299 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl 916683725 GNGHPUPWEXSONP-UPVQGACJSA-N 475.976 5.914 30 20 JKED CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 916731390 LLXURWHHLZVLAU-UHFFFAOYSA-N 496.611 5.302 30 20 JKED COc1cc(C2SCCS2)ccc1OC(=O)c1ccc(COc2ccccc2C#N)o1 916858969 LMRWMCPCXQWQCQ-UHFFFAOYSA-N 453.541 5.437 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916916364 XOUCCKPKIDMJDJ-OAQYLSRUSA-N 450.523 5.510 30 20 JKED CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2cnn(C(C)C)c2n1 916926993 BWDLCMNJMFOGQH-OAHLLOKOSA-N 458.349 5.404 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)n2)cc1 916975159 VNLKGCKYKTVAKC-FQEVSTJZSA-N 482.590 5.433 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)cc1 917663038 IVHPDJJONOIKBS-OAQYLSRUSA-N 482.606 5.114 30 20 JKED CCOc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)c1 917675587 QIASWQGWTYJIAN-XMMPIXPASA-N 489.597 5.254 30 20 JKED Cc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1C#N 917699049 AYFYPWFJIOPWSZ-RUZDIDTESA-N 497.624 5.093 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc(S(C)(=O)=O)cc2)C(=O)c2ccccc2)c(Cl)c1 918155632 IEWFSBFPZVCAMA-QNGOZBTKSA-N 467.974 5.265 30 20 JKED N#CC(CCOC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)(c1ccccc1)c1ccccc1 919633341 BBIFVRWERWVZIR-UHFFFAOYSA-N 493.028 5.697 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)Cc1cccs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 920113959 VSZBMNGTLLKEJE-VVDXWTHWSA-N 479.671 5.082 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 920138126 AISORKPMZZFTEV-XLIONFOSSA-N 499.514 5.062 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)CC1=O 920141886 NBIWTPHTKZLPEF-WEYGHZABSA-N 468.582 5.425 30 20 JKED CCOC(=O)N(C)c1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1 920174509 NXDSPUFVEZVQJY-UHFFFAOYSA-N 456.134 5.261 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2C)no1 920353330 HFXRSZRGIKEUPJ-HXUWFJFHSA-N 468.966 5.105 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2C#N)no1 920359963 RURCGSRLSURFDS-DEOSSOPVSA-N 495.564 5.168 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1OC 921266123 JCDKLPLXRJOBNY-YBEGLDIGSA-N 497.906 5.173 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(F)c2F)c1 921291325 QFHJPDSEEXQWHZ-UHFFFAOYSA-N 492.931 5.260 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)cc2F)C1 1783055230 VSXACIWRXQBWNS-ZJSXRUAMSA-N 483.411 5.028 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)c(Cl)c1 1785884251 CCFSSABXCLMHBH-UHFFFAOYSA-N 473.960 5.211 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C5CC5)on4)cc3)CCC2)c1Cl 1785967238 KVXRWJXZNFNPGR-UHFFFAOYSA-N 460.921 5.139 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)(C)C)cc3)CCC2)cc1 1786367174 CUYRCGLPRNHOBI-UHFFFAOYSA-N 464.606 5.594 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)(C)C)cc3)CCC2)cc1 1786679197 NNDZTEJXYRYZSF-UHFFFAOYSA-N 452.620 5.531 30 20 JKED Cc1ccncc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1786879929 NYWVRGGRBXCTCO-UHFFFAOYSA-N 496.611 5.429 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1)c1ccc(O)cc1 1788343649 PIGBFOXXUPDRRC-OAQYLSRUSA-N 493.563 5.478 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(C)c3)cc2)CCC1 1788362801 YOCHOWOYGUZNAN-OAQYLSRUSA-N 484.600 5.606 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc4ncccc4c3)CCC2)cc1 1788649453 IKAXQSRNTAUFOZ-OUKQBFOZSA-N 481.577 5.483 30 20 JKED Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1788695418 RJGWXCGEGOVCOL-UHFFFAOYSA-N 457.530 5.308 30 20 JKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)c2s1 1788944410 CSALEDOBFWZYRI-UHFFFAOYSA-N 466.566 5.538 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CCC1 1788990589 QFHHXOSTQXYHAU-UHFFFAOYSA-N 495.048 5.584 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)c(C(F)(F)F)o1 1789576337 IUVAKEJRARKSRN-XODNFHPESA-N 473.451 5.067 30 20 JKED CCc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1789818358 CRDOMYIWVHVKPR-QGZVFWFLSA-N 456.546 5.234 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(OCC(C)C)c4)CCC3)cc2)c1 1790072875 AQTABYALYWGLQL-UHFFFAOYSA-N 498.583 5.058 30 20 JKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1)c1ccc(O)cc1 1790507941 ZLNYCFNJJZCUNQ-KAUXGEHWSA-N 474.582 5.130 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1790567054 FUJGBSWSYYGWBQ-FQEVSTJZSA-N 470.573 5.297 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnoc4C4CC4)CCC3)cc2)c(Cl)c1 1790764375 WNEVTZUBTRWHPM-UHFFFAOYSA-N 460.921 5.139 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5ncccc45)cc3)CCC2)c1Cl 1790903533 NAWOFPLCTHHMEM-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C(F)(F)c4ccco4)cc3)CCC2)c1 1791080373 FPVJBGZNHPTJPA-QGZVFWFLSA-N 463.484 5.446 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)cc2)CCC1 1791410287 HLFNWWHTHQLIKG-CHOVIJNXSA-N 495.664 5.226 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1 1792170963 BQCZHAVFYZCMEH-OAHLLOKOSA-N 479.474 5.393 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCc3cccc(Br)c3F)CCC2)cc1 1792263366 IWULFRQEXBHQTN-UHFFFAOYSA-N 471.370 5.068 30 20 JKED COc1cc(F)ccc1CC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1792363327 PIZMMOJXGSKVFI-IBGZPJMESA-N 485.559 5.452 30 20 JKED CCCCCc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)s1 1798420874 QYUWWAOKJCPLSQ-WKCHPHFGSA-N 473.759 5.179 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1801643411 KFKVOTGXRMPNAJ-NRSFXHEJSA-N 453.410 5.245 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCc1ccc(F)c(Br)c1)C2 1801643839 RFRIUVHQFPCDEF-FFGOWVMKSA-N 479.434 5.151 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc(Br)cc(C(C)C)c3)[C@@H]2c2cccnc2)C1 1802412848 OAPMHUCLTGQURD-NTKDMRAZSA-N 496.449 5.253 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)cccc3[nH]2)[C@@H]1c1cccnc1 1802500095 WHYQVEQCMRUOBW-PXDATVDWSA-N 458.606 5.183 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1803091160 XTTZCQQTXNYDBP-XUZZJYLKSA-N 451.998 5.131 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803224644 LCESZBUGGATHLY-MSLLRLGPSA-N 498.067 5.163 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C3)c1 1803685288 SFWKPXMEXWKVIM-GAZPGATBSA-N 489.925 5.551 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CCCC3(CCN(C(=O)[C@H](C)ON=C(C)C)CC3)C2)cc1 1805364105 QQJJDPBYQSHBHF-ZXYASIKESA-N 481.681 5.465 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1805698823 SECXBSHSQSCPIE-AZUAARDMSA-N 477.527 5.314 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1808145955 MLECFMZJVRYUKV-AHWVRZQESA-N 487.644 5.273 30 20 JKED Cc1cccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)[nH]c12 1809754620 SOPXELMNCSBLBQ-OOYKWLJTSA-N 491.595 5.132 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc(F)cc2)[C@@H]1c1cccnc1 1811551448 KRLNYWRMACWYMJ-YWEHKCAJSA-N 498.602 5.371 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c(Cl)c1 1811752342 ODNOVZGGBMRQNE-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1)C(F)(F)F 1812675341 OTFZYERBMUUONR-HJNYFJLDSA-N 493.957 5.299 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1812787770 TVRASPMWFVUGPN-DWXCWOAGSA-N 451.655 5.462 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1)C(F)(F)F 1813768148 KOWAWXJWWVZLMS-BEFAXECRSA-N 486.321 5.135 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813869014 WJDHWPJQPDPGMJ-WVLFPKRMSA-N 494.639 5.541 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2ccc(OC)cc2)n[nH]1 1814729309 ZATYWXRUBRXWMO-GCJKJVERSA-N 452.599 5.207 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)[nH]n1 1814827776 YHMHQLUWQLEMRA-DEOSSOPVSA-N 459.594 5.203 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2cccc3ccccc23)n[nH]1 1815648867 FMQVMTZVVRPTIR-XUZZJYLKSA-N 472.589 5.402 30 20 JKED CC(C)c1csc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)n1 1816062823 WDAXKMFLDZGTDI-LJQANCHMSA-N 482.997 5.134 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnn(C(C)(C)C)c2Cl)n[nH]1 1816196874 FEHRSOUOOPIVNW-IBGZPJMESA-N 473.021 5.089 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)nc2)n[nH]1 1816495959 JTAJJGDXEGDMCD-KRWDZBQOSA-N 463.504 5.122 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)cc1C#N 1816694217 IFCWEWKGWJCDMT-HSZRJFAPSA-N 477.609 5.345 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ncccc34)n[nH]2)c(Cl)c1 1818473466 GRMVWKYMGRWKDW-QHCPKHFHSA-N 484.947 5.103 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)oc2ccccc12 1818567560 WLYBGXSXHGMEDT-HSZRJFAPSA-N 481.556 5.275 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2cccc3ccccc23)[nH]n1 1819302729 KSFTVINJJXVBJC-ZJSXRUAMSA-N 472.589 5.402 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)[nH]n1 1819309615 YNYBXXVNCKYGMP-RBBKRZOGSA-N 459.550 5.139 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1819395848 OLBWLYFJVCMJKF-ZZUBLQEUSA-N 498.587 5.087 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)[nH]n1 1819554464 AJIJMIMQHIIBPX-FQEVSTJZSA-N 465.623 5.626 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)[nH]2)n[nH]1)c1ccccc1 1819634815 VVZYNEAMVJYMRM-NQIIRXRSSA-N 497.521 5.260 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3Oc3ccccc3)n[nH]2)c1 1820437884 NRHSPYRMUSETGS-HSZRJFAPSA-N 480.528 5.021 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(F)c(Br)c2)n[nH]1 1820688027 SPXFSFAQVFIIRQ-QRWLVFNGSA-N 491.405 5.148 30 20 JKED CC(C)c1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1822137140 FNVBVJAVMXMRCK-GNNUASRNSA-N 490.629 5.269 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n[nH]1)c1ccc(O)cc1 1822575146 OACFSJMGSLHYJK-UQBYDPJISA-N 496.611 5.108 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]n1 1822582579 NFIMOYGXTWYVFB-RUZDIDTESA-N 494.599 5.453 30 20 JKED Cc1cc(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)c1 1823190691 ZUPWIUUIKQFEJM-IHHMQQGQSA-N 482.993 5.178 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823210287 BLIBHVOWAGUWOO-CPJSRVTESA-N 485.588 5.120 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)n[nH]2)CCC1 1823289396 KSDVKPCUNFXSEX-QHCPKHFHSA-N 453.546 5.076 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1 1823289669 JFMDICUMWBPLTD-KRWDZBQOSA-N 470.442 5.254 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 1823682537 ILBYQLHBMOTUKF-VWLOTQADSA-N 464.009 5.078 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)ccc(Br)c3C)CC2)C1 1823701216 CPZVLADGEPRFRE-OAQYLSRUSA-N 477.418 5.096 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)Cc3cccc(Br)c3)CC2)C1 1823703104 NRGSVAKHTBJTLX-NTKDMRAZSA-N 487.482 5.214 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnccc2C(F)(F)F)CC1 1823750984 HCVAMGQHTMYRPG-HSZRJFAPSA-N 493.614 5.645 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1823990159 VPFNAMPZWOHMOE-RUZDIDTESA-N 481.999 5.135 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 1824054222 RPCUEVCMVMNEGB-VWLOTQADSA-N 464.009 5.078 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1824137247 CLFUCQKIIITPFY-RLWLMLJZSA-N 452.639 5.187 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1824144866 KMAQPZDZAIYKTM-QFIPXVFZSA-N 485.650 5.075 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCCC2)CC1 1824760217 HFNVOFAKQANCTB-BJKOFHAPSA-N 489.701 5.046 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824989628 ZRNHVBCEDOVWHT-YKSBVNFPSA-N 461.046 5.331 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 1826419718 UZQSRCGPVNFNES-DDOAZUFRSA-N 454.655 5.027 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826779847 ZLFZPNVXLYQHFM-RIOMWJCISA-N 495.667 5.036 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827778347 IBFDNQHNDLLXIE-RTWAWAEBSA-N 487.632 5.276 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1828778123 OJOJBCJSMYCWAR-HTAPYJJXSA-N 485.650 5.173 30 20 JKED CCCc1onc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828905172 KRWXRSQHIXUWAX-HSZRJFAPSA-N 485.745 5.220 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1828906276 DITJVKMZISKPSX-RPBOFIJWSA-N 456.747 5.404 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)cc1 1830017282 WWEANDWJJYXMBI-QFIPXVFZSA-N 488.390 5.551 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1830477099 YXLGYXXVBOGUDB-QHCPKHFHSA-N 471.935 5.037 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3nc4ccccc4o3)CC2)c1 1830851728 DSSDLSZCOUJBFQ-CYFREDJKSA-N 470.573 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCOc3ccccc3)CC2)c1 1832635289 YYZXBGIPBUKPNS-WXVAWEFUSA-N 473.617 5.016 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699069 RCVMGTGIKONVAE-AMGIVPHBSA-N 460.618 5.178 30 20 JKED CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CCC1 1832703841 VTTJVNMBYCXUHI-DEOSSOPVSA-N 465.638 5.159 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719851 MXJCBRZRQZMSRB-QRWLVFNGSA-N 487.855 5.471 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cc3cccc(F)c3)cc2)CC1 1832829782 JGNVWQIRKCPEOS-MHZLTWQESA-N 460.593 5.063 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 1833078929 HAVBURDXJDXFQY-UHFFFAOYSA-N 480.480 5.171 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1845254501 WARPHZSWHGGTPP-SFHVURJKSA-N 493.570 5.371 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(C(F)(F)F)CC1 1847988881 CHVOOYACIDDNKT-GPDROORESA-N 480.424 5.029 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)c1 10174794 SMIPYSKYDBLRIK-UHFFFAOYSA-O 455.647 5.955 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10833048 ZFRSRILLCKWWRQ-UHFFFAOYSA-O 488.032 6.278 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)cc1F 11083032 LKPDAPSJGSVRTD-UHFFFAOYSA-O 455.525 5.630 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccccc1C(F)(F)F 11157110 PFYPXJAJXFRNEO-UHFFFAOYSA-O 465.467 5.884 30 20 JKED N#Cc1c(NC(=O)COC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)sc2c1CCCCC2 12258324 MQHRPOUTNHRLDO-UHFFFAOYSA-N 483.977 5.312 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 17186914 VBEDEYDTTFAYAZ-UHFFFAOYSA-N 452.681 5.006 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1C1CC1 20969967 NBEXYIDAERYNBE-LJQANCHMSA-N 458.509 5.832 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2ccc(Cl)cc2)cc1 21608806 OPKBNPAEHPQZLF-UHFFFAOYSA-N 465.991 5.560 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23603373 AUDPUFKQESIMEF-UHFFFAOYSA-O 458.582 5.700 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CC1 24623704 IPMVEZBVACFYIV-UHFFFAOYSA-N 469.501 5.194 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nnc(-c2ccccc2Cl)o1 24666506 LVZMMADHFOQBFI-UHFFFAOYSA-N 457.918 5.178 30 20 JKED C=CCn1c(SCc2csc(NC(C)=O)n2)nc2sc(-c3ccccc3)cc2c1=O 24910374 YDBZRQQPJREYKC-UHFFFAOYSA-N 454.602 5.018 30 20 JKED Cc1sc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C#N)c1C 25351731 VVYIFMPIDXFIAR-UHFFFAOYSA-N 452.458 5.019 30 20 JKED C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1ccc(Br)cc1 26040553 KGLPPFCGZXSKJV-UHFFFAOYSA-N 471.355 5.980 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nc2sc(C)c(C)c2c1=O 27593329 NFGAYKXJLIHLQF-UHFFFAOYSA-N 485.656 5.694 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 303101986 HWXOGVMNBFRPAZ-UHFFFAOYSA-N 488.975 5.171 30 20 JKED N#C[C@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 481805657 JHHJUMJIKLOEGA-GOSISDBHSA-N 455.461 5.446 30 20 JKED C=CCN(C(=O)c1csc2c1CC[C@@H](C)C2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491028546 PMFXUGPMLLWRKJ-OAHLLOKOSA-N 472.657 5.233 30 20 JKED N#Cc1c(NC(=O)CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)sc2c1CCCCC2 497464670 QZJSFCXNKCPDHF-UHFFFAOYSA-N 470.038 5.466 30 20 JKED CC(C)CN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc(C#N)cc1 500236700 BPYMKRGNKQSORO-UHFFFAOYSA-N 457.917 5.315 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 500337802 BBPWYBBXRARVCK-UHFFFAOYSA-N 464.352 5.130 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1C 501528712 DYFHXHUUCVKNAY-UHFFFAOYSA-N 485.613 5.551 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1 508163902 ZATOBWRTAMZAMJ-UHFFFAOYSA-N 465.557 5.010 30 20 JKED CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)[C@H](C)c1ccc(C#N)cc1 509587774 XAKCOWUQRPGANU-GOSISDBHSA-N 490.401 6.105 30 20 JKED CCN(C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)[C@H](C)c1ccc(C#N)cc1 509595121 ZNDRXVVQZPCHTI-IEKURQINSA-N 469.629 5.614 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1-c1ccc(OC)cc1 510357749 ZBUULTRQYBAACR-QGZVFWFLSA-N 462.575 5.198 30 20 JKED CC1CCN(Cc2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)CC1 511419798 AFGLZLYIEAYXAD-UHFFFAOYSA-N 482.628 5.885 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511504927 LHWGYGVTTZMHLP-UHFFFAOYSA-N 453.329 5.781 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 512411580 OTNVIZUNBYDHDN-KSSFIOAISA-N 473.367 5.006 30 20 JKED N#Cc1c(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)sc2c1CCCC2 513293271 DQXLGXHDLOYKRN-UHFFFAOYSA-N 478.414 5.633 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 513996945 NCZVWSKWADWAPT-UHFFFAOYSA-N 470.548 5.558 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 517487775 XMPZDSPBKBWFMQ-UHFFFAOYSA-N 496.588 5.672 30 20 JKED Cc1cc(NC(=O)Nc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1I 517560360 GLKYGFMYJNLHDT-UHFFFAOYSA-N 496.308 5.368 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 517726186 NUQYSQUYJQOMDN-UHFFFAOYSA-N 459.937 5.022 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cs1 518516784 YJMBXJXMONSBEB-NRFANRHFSA-N 456.552 5.516 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 520546562 MPSLOFJPWCYXMX-UHFFFAOYSA-N 478.552 5.103 30 20 JKED N#C[C@H](C(=O)c1ccc(I)cc1)c1nc(-c2c(F)cccc2F)cs1 521261291 PLNLGRVYCUFPPX-GFCCVEGCSA-N 466.250 5.183 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 521809023 SYUIDKNOCQEPPJ-OALUTQOASA-N 477.630 6.273 30 20 JKED Cc1cccc(COc2ccc([C@@H](C)NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc2)c1 524097676 GSGJZIIBRMPRSB-OAQYLSRUSA-N 476.598 5.143 30 20 JKED O=C(CCc1ccc(OC(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 589306204 OJUFYGKWUYUQLT-RYUDHWBXSA-N 451.329 5.544 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c2)cc1 590260517 QDNPEOWSSFZOBA-UHFFFAOYSA-N 464.468 5.513 30 20 JKED COc1c(Br)cc(Cl)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 594659302 CAPOGSCKAAEIQU-UHFFFAOYSA-N 454.777 5.034 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3cccc(COCc4ccco4)c3)s2)cc1 603829743 NOSOJHIDOUFCCZ-UHFFFAOYSA-N 491.598 5.334 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 608964790 YOMYIKSTVBDDRU-UHFFFAOYSA-N 453.586 5.121 30 20 JKED Cc1cccc(CN2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)c1 609078861 RDCGHCAFHPBZJN-UHFFFAOYSA-N 454.574 5.104 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 609376878 LDTXHRAECPLIIK-QMHKHESXSA-N 454.567 6.689 30 20 JKED Cc1c(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cccc1[N+](=O)[O-] 609387037 GZZDCTWPRCKBFO-ZDUSSCGKSA-N 452.458 5.367 30 20 JKED C=CCn1c(SCc2c(-c3ccccc3)nc3ccccn23)nnc1[C@@H]1COc2ccccc2O1 612653218 WCHDUJSVLOKTFK-QHCPKHFHSA-N 481.581 5.584 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc(-c3ccco3)nc21 613319394 DBGZTYHEQAXFJO-SFHVURJKSA-N 487.972 6.539 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc12 613401972 VTQOSYHUMOCONK-INIZCTEOSA-N 465.460 5.769 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1 617127197 BOPXYUPYLDWYMN-UHFFFAOYSA-N 473.554 5.131 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccccc1OC 617988730 MXVWWKQSMMZLPC-AWEZNQCLSA-N 473.396 5.022 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCSc3ccccc32)C(C)C)nnc1-c1ccccc1OC 639429218 GJUWYTYSVPAVCU-JOCHJYFZSA-N 480.659 5.395 30 20 JKED N#C[C@@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc2ccccc2n1C(F)F 642282386 MRXSOYGIDTVKMD-IBGZPJMESA-N 473.508 5.861 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnn(Cc2ccccc2)c1 725744610 PSUNJVVGWPAMPF-UHFFFAOYSA-N 459.962 5.214 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726319668 MSBMTINXZDVVKN-KXTRFFEISA-N 465.638 5.104 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726420736 MULDCFIXPCXWKK-JEWPTACZSA-N 453.589 5.240 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C(C)(C)C)CC1)c1cccs1 726421510 NFYIBJYKJAUPLQ-ULOJKKRISA-N 498.718 5.401 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/[C@@H](C)c1cccs1 726423324 YWSZRKOPRKFJBN-LRPJYJENSA-N 486.446 5.091 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc(C#N)c(Cl)c2)cc1 726571561 XMMCYSCIWMRORW-UHFFFAOYSA-O 492.024 5.545 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@H](C)c2cccs2)cc1 726580279 WXMVHYGMYNBQHY-GOSISDBHSA-O 480.679 5.703 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CC2)cc1Cl 726888700 BGMBDCUISHNSEK-IBGZPJMESA-N 494.400 5.133 30 20 JKED CCCN1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C/c2ccc(O[C@@H](C)C#N)cc2)C1 727744204 CXPDERIHLTXJKO-JSTBJGKQSA-N 455.558 5.030 30 20 JKED COc1ccc(OCc2nc(/C=C3\Cc4c(F)cc(Br)cc4C3=O)cs2)cc1 727780831 UNKPFVBQMCLDMB-WUXMJOGZSA-N 460.324 5.455 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)NC2CCOCC2)cc1 727815408 ICMUVRUPANFPMH-UHFFFAOYSA-O 496.697 5.264 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)c2)cc1 728117666 MSVZFSHNHYBOJM-RUZDIDTESA-N 479.502 6.719 30 20 JKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 728392241 FVULDYGLDMFLLJ-QFIPXVFZSA-N 480.584 5.217 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 729632786 ALLNFPZCPJHTEU-RUZDIDTESA-N 480.593 5.704 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1ccc(SC(F)F)cc1 729667709 OMPFFUUZYHNUFY-UHFFFAOYSA-O 491.561 5.282 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c1 730529449 WDNLAODGSVISAX-OAQYLSRUSA-N 451.523 5.142 30 20 JKED C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 730687932 YRDBTJOWXIXULI-ABAIWWIYSA-N 460.386 5.638 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(CC)c2)N(Cc2cocn2)C1=O 730718605 LWERRUPTUOLLJV-QHCPKHFHSA-N 492.601 5.186 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1[C@@H](C)c1cccnc1 730942687 VCICOQNCSYXLQN-CYFREDJKSA-N 487.629 5.178 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944955 JDEOSYASAANTBS-CYFREDJKSA-N 472.614 5.043 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730945059 LPJFESJNMARHMS-HTAPYJJXSA-N 462.550 5.251 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1ccc(Cl)c(Cl)c1 731077378 MGRONGYWCMNYBD-AWEZNQCLSA-N 451.375 5.502 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@@H](C)c2cccs2)s1 731311353 BSMRDZLIDUGYAQ-RAARZYGNSA-N 499.683 5.975 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)cc1 743763317 BNZQXDRDRBSQIU-VWLOTQADSA-N 487.606 5.134 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)ccc1SC(F)F 746347198 YFOSESXFZPFQIA-JXMROGBWSA-N 474.554 6.356 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)o2)cc1 746416726 QYHUKAXOPPEUMU-MRXNPFEDSA-N 471.460 5.788 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cc3ccccc3[nH]2)c1 746848118 FWUGFVKSWBFBIT-UHFFFAOYSA-N 479.989 5.133 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cnc(-c3ccccc3Cl)s2)cc1C 747951536 CJNXDEHRLFYUJV-UHFFFAOYSA-N 453.951 5.184 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)nc1C 749264950 KNWNYHCOTUHWJG-UHFFFAOYSA-N 498.659 5.348 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccc(Oc3ccccc3)nc2)C1=O 749444117 RAOXVCNPIHLFFN-QHCPKHFHSA-N 488.613 5.265 30 20 JKED CCCOc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cs2)cc1 750274082 DWUXXICQFLAKOH-CQSZACIVSA-N 481.599 5.205 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC(F)(F)F)cc1 799221614 YKQCKGMWTLHABS-KRWDZBQOSA-N 485.915 5.180 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1F 838541146 URWKXWKORFEGMB-SZNDQCEHSA-N 484.503 5.220 30 20 JKED C=CCOc1ccccc1[C@H]1NC(=S)N(C)C(C)=C1C(=O)Nc1ccccc1C(F)(F)F 839945266 DSXLQFWOUSDFPH-HXUWFJFHSA-N 461.509 5.044 30 20 JKED CON=Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 844144667 OFYGWUXNJYJLID-OAQYLSRUSA-N 452.436 5.081 30 20 JKED O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 857439844 HLRMCSWPPYYLIM-KRWDZBQOSA-N 450.354 5.210 30 20 JKED O=C([C@H](F)c1ccc(C(F)(F)F)cc1)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 857482534 WBYQTFFRYSMXSE-GOSISDBHSA-N 479.392 5.211 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)s2)cc1 875062870 WHNDTJUGMNIOJH-WZGNDQMWSA-N 456.409 5.278 30 20 JKED C=C(Cl)CSc1nc(C)c(Cc2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)s1 904553923 KWZFXJCOHSVGDZ-UHFFFAOYSA-N 457.021 5.174 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3sccc3Br)no2)CC1 904889730 KKHKBZAYOJDAQD-UHFFFAOYSA-N 472.324 5.064 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914552104 SXOXCLSLBKBFJH-RBBKRZOGSA-N 453.995 5.092 30 20 JKED N#C[C@@H](C(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3)c1nc(-c2ccccc2)cs1 915102237 QCXIKRWMOZKGRW-INIZCTEOSA-N 492.651 5.509 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C)cc1 915102780 HHGNHPPFJHDHTF-AZUAARDMSA-N 472.397 5.869 30 20 JKED C[C@@H]1Oc2ccccc2N(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O 915103165 QAJGQIJAJCQARK-WFASDCNBSA-N 472.353 5.107 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2ccccc2n1C(F)F 915104644 VFKNRRDEGKILHV-KBXCAEBGSA-N 477.298 5.219 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccc(OCc2ccncc2)cc1 915949135 BRFHGDJRIYTLFQ-UHFFFAOYSA-N 456.358 5.397 30 20 JKED O=C1CCc2cc(C(=O)/C=C/c3ccc(/C=C/C(=O)c4ccc5c(c4)CCC(=O)N5)cc3)ccc2N1 915993691 WYNNGHLSOLFIDT-ACFHMISVSA-N 476.532 5.248 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 916038897 MFGYFYUYMCGGNC-UHFFFAOYSA-N 499.748 5.383 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1Cl 916135156 ASLQQXUEMQRVAL-SDQBBNPISA-N 456.325 5.916 30 20 JKED CC(C)(C)c1ccc(Oc2ccc(C=Nn3c(S)nnc3[C@@H]3CCCO3)cc2[N+](=O)[O-])cc1 916367779 OINUFDPKPKHZQX-FQEVSTJZSA-N 467.551 5.299 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)c(F)c1 916721030 RKLLYTIYXFATSJ-UHFFFAOYSA-N 486.547 5.027 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C 916977714 XFUFCBHWCBJFQG-LJQANCHMSA-N 480.018 5.630 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 917031970 DHHFVAQGXAYBGZ-UHFFFAOYSA-N 470.595 5.206 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042711 FZCKQYSVOJQJHZ-BZNIZROVSA-N 463.506 5.631 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047151 SBKVBOIKZLCNHX-CABZTGNLSA-N 453.720 5.495 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(F)cc2)n1 917678546 XFCOSJGZJBUBBX-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@H](C)c2cccnc2)C1=O 917697754 NBLZDURISMCFEG-UTKZUKDTSA-N 452.624 5.157 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc2Cl)cc1 918052751 OTMJYKRMAGCCCP-UHFFFAOYSA-N 494.954 5.426 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3NC(=O)c3ccsc3)c2)cc1 918608325 DCJUNMJFNJAQLW-UHFFFAOYSA-N 467.550 5.898 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141824 LZNWMKCZYUWSMZ-LJQANCHMSA-N 475.371 5.653 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(CC(F)(F)F)C2=O)cc1 920174972 FHSPFSDVFKCBJD-IBGZPJMESA-N 461.509 5.006 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 920353925 WTTRELHHHUULLT-HSZRJFAPSA-N 476.602 5.377 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)n1 921216411 SPDZZYUGTJYFGL-SFHVURJKSA-N 480.542 5.662 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2)CCC1)C(F)(F)F 1786632928 ARWZXEWSHSFEHB-NRFANRHFSA-N 485.550 5.151 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)c(C)o1 1787345041 AICLYEXKASSHQZ-UHFFFAOYSA-N 471.557 5.617 30 20 JKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)c2s1 1788944940 QMTYKIGAKJRJFB-UHFFFAOYSA-N 484.556 5.677 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)cc3)CCC2)c1 1789153518 FDUFVEZVFWFKHL-FCHUYYIVSA-N 458.949 5.091 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cnc3OC)CCC2)cc1 1789448620 DUZFXSPEDZSPHS-FQEVSTJZSA-N 453.970 5.260 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4[nH]c5ccoc5c4-c4ccccc4)cc3)CCC2)CCC1 1789995943 VZYQLKWGHNNVMX-UHFFFAOYSA-N 478.552 5.869 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)cc2)CCC1 1790035089 ZNAXHYORZINLRY-IBGZPJMESA-N 469.610 5.672 30 20 JKED Cc1nc(F)ccc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083625 BITWPXUDKILHTK-UHFFFAOYSA-N 462.912 5.116 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)[C@@H]5C[C@@H]5c5ccc(F)cc5)CCC4)cc3)c2c1 1790834679 RQUCDFCVYFJTNR-DHIUTWEWSA-N 493.542 5.125 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791250556 UXZIMQBMIOOUMC-NHCUHLMSSA-N 483.653 5.370 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C34CCC(CC3)CC4)cc2)CCC1 1791981567 NKJQIYDZAAVZKP-CBTZJSNWSA-N 493.648 5.008 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(F)ccc(Cl)c3F)cc2)CCC1 1792156142 RWJAWGGWAZRMBP-UHFFFAOYSA-N 462.924 5.349 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(Br)cc1)C2 1792575219 YIWTUGNAMVUMDN-QKQYJNTNSA-N 459.428 5.093 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2ccccc2)C3)c1 1792940399 GVGIIJLVLQQZPO-QEIWAGNOSA-N 479.580 5.235 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1793443843 OAIIDKZMLMCOIF-HUJKARHJSA-N 487.547 5.010 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(Cl)c(Cl)c1 1795587362 YCJKZYVEFXKETK-BJWYYQGGSA-N 453.410 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(-c2ccccc2)c2ncccc12 1796550084 WWMGHRZWTVXMRR-IGABQKFOSA-N 468.601 5.046 30 20 JKED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(c2ccnc3ccc(F)cc23)CC1 1799884579 ZFVXMBFQWWRHTD-ZQLLTOETSA-N 475.608 5.089 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)ccc2F)C3)cc1 1800605025 PBIORFVMSCTLBV-NUNAXRQHSA-N 467.544 5.238 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1 1801403209 UEMZGXCNZQJXMV-YFXPIYGVSA-N 485.672 5.266 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)cc3)CCC2)c1 1801550173 ANHCGLRPQJBAOY-FUJBWUKOSA-N 476.020 5.341 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1802501479 YPDUNAFGTMNPDB-KAYWLYCHSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(F)cc2)[C@H]1c1cccnc1 1802501656 PWNQKBLQZSWWPC-OPHFCASCSA-N 465.613 5.098 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC)cc2Cl)[C@@H]1c1cccnc1 1802501802 CLCBLWKQUNYEOY-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803561484 YZBGXMVIRSYMOS-RNJDCESWSA-N 498.067 5.163 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)C1 1804859693 JPTOSPVGMNBRHV-UHFFFAOYSA-N 456.593 5.579 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3CCC(C(F)(F)F)CC3)C2)CC1 1806470292 SVZYKEOORKROME-UHFFFAOYSA-N 456.593 5.579 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1807963558 VGFCCRFQVYFRLW-QPPBQGQZSA-N 493.705 5.260 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1808146520 UKHPRLUBVJJJJF-ILBGXUMGSA-N 489.660 5.497 30 20 JKED N#Cc1cc(C(=O)N2CC[C@H](CNC(=O)/C=C/C3CCCC3)[C@H]2c2cccnc2)cc(C(F)(F)F)c1 1808494490 RCNCBOZKXMMGML-RXMIYNDUSA-N 496.533 5.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1810171484 FRGQSMSBCAVQBM-SKVJQKLOSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccc4c3OC(C)(C)C4)C2)CC1 1810721319 VADWBTHKYKHZDF-UHFFFAOYSA-N 452.639 5.237 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1812499877 DXAISEGSFZKSRR-FTBPSBKWSA-N 478.036 5.241 30 20 JKED COc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)cc2ccccc2c1Cl 1814569425 NIBDBPXJWDLXRN-LJQANCHMSA-N 479.968 5.081 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)[nH]n1 1814827777 YHMHQLUWQLEMRA-XMMPIXPASA-N 459.594 5.203 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814935031 DNGDGIJWYQJGSW-BEVROLAMSA-N 475.058 5.348 30 20 JKED Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc([C@@H](C)C#N)c2)CC3)oc2ccccc12 1818215894 DYMCGMMPBBJWDH-KXBFYZLASA-N 484.581 5.364 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(F)CCCCC2)n[nH]1 1818882299 SRHNNEXZXJRNBT-HXUWFJFHSA-N 460.670 5.125 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)[nH]n1 1819305750 YYDQPYKXDGLFAY-TZIWHRDSSA-N 474.527 5.432 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2Cl)N(C)C)[nH]n1 1819309926 LDOFIQRLGAATED-XANCMCCPSA-N 484.044 5.127 30 20 JKED CCc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)cc(C)n1 1819385102 JOSHITNTSGOXMQ-HSZRJFAPSA-N 479.701 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1819555563 MFLVDHKJQLTDRV-IBGZPJMESA-N 453.974 5.233 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2c(C)cccc2C)n[nH]1 1819590435 RVFVHYFPNVBGCS-GOSISDBHSA-N 462.566 5.022 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820550960 BSFKGBIBPGZWAE-DEOSSOPVSA-N 487.629 5.219 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccco2)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821151299 IRRYCSODISTRJM-DEOSSOPVSA-N 464.525 5.022 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)CCC1 1821280035 NKHMGBDIYOFHCI-HXUWFJFHSA-N 453.974 5.067 30 20 JKED COc1cccc(/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1822131447 HCJIJUYBTWNVRH-LUSXFWADSA-N 483.572 5.065 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3F)n[nH]2)c(Cl)c1 1822968165 ZSMLTCYOSVHJOZ-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nn2-c2ccccc2)CC1 1823753004 RVJGHUDWCLPWLP-RUZDIDTESA-N 476.665 5.406 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1824508571 WPXXOJIZFQRJIE-GBXCKJPGSA-N 489.616 5.252 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1824863703 CFIFSBJVVNEEMQ-CWSBKQHBSA-N 478.658 5.048 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824989425 PTGOEQCTNZAAMU-RUZDIDTESA-N 473.057 5.312 30 20 JKED Cc1ccccc1NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1827006231 COFZAIRZMMWPLU-SANMLTNESA-N 481.757 5.078 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(Cl)cc4C(F)(F)F)sc3C2)C1 1827877711 GSOXENXUQNMAAR-ZDUSSCGKSA-N 469.916 5.007 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1)C(F)(F)F 1829659084 WYNSDGHALCYQFF-GOSISDBHSA-N 494.888 5.293 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)CC1 1830590723 PDTSOQPAWBBSOA-GJZUVCINSA-N 451.655 5.122 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1830674110 GGMOKAQDJQADKJ-AREMUKBSSA-N 460.622 5.078 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1831446368 HXDFUARREZFYRJ-JOCHJYFZSA-N 490.982 5.175 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c(Cl)cc2F)CC1 1831852548 RNCPSGYPNWRKEC-OAQYLSRUSA-N 497.836 5.278 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccccn2)CC1)c1ccccc1 1832325186 ZDCWJRHPBLGFBH-PAUTXSKSSA-N 471.645 5.002 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc(C)c1O 1832579948 KPONJJXGBUQVMO-QHCPKHFHSA-N 480.008 5.081 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1 1832628861 DXVCXLRRRRMDRE-AMGIVPHBSA-N 469.629 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1832629466 RLKPXGUAWFBYNI-NIYFSFCBSA-N 496.026 5.582 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c(F)cccc3F)CC2)c1 1832633939 PJGLKGSNXXWUEH-AFMDSPMNSA-N 479.571 5.068 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832683017 CIWYTIKSIPNYIR-QHCPKHFHSA-N 499.989 5.356 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)CCC1 1832785472 ZWPIYWZIVVHTAW-XMMPIXPASA-N 484.600 5.355 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1832793411 XPTYJELJZOEOGR-WWUMMRACSA-N 491.676 5.163 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1844203506 VELNMROWZZIQNH-CTNGQTDRSA-N 466.025 5.213 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)C1 1844659208 WUKCVUVHJRQMJW-UHFFFAOYSA-N 468.601 5.106 30 20 JKED Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 10167619 SLRQTWALNKPZOD-UHFFFAOYSA-O 471.671 6.603 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)nnc1-c1ccc(F)cc1 10498362 HLYTYRGFKLGMPT-XMMPIXPASA-N 496.608 5.037 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccncc4)n3C)c2C#N)C1 10678335 VHJPCEMFMCVTPW-INIZCTEOSA-N 480.663 5.082 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(OC)c3)no2)nnc1-c1ccc(Cl)cc1Cl 11149438 CNODMGTZKZNXIG-UHFFFAOYSA-N 474.373 5.789 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)nnc1C1CC1 14065411 IVSNZDDVPYQVGK-UHFFFAOYSA-N 466.419 5.503 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1OC 21729494 LRKNUTBTJLXYCW-ZDUSSCGKSA-N 463.390 5.566 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)C[C@H](C)O1 22301735 SFBLGQIFCMAOBD-HOTGVXAUSA-N 467.551 5.040 30 20 JKED Cn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 22354287 ZHXACQKAMCDHRG-UHFFFAOYSA-N 468.026 5.472 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 22415409 FONLPCUUENMQJX-OAQYLSRUSA-N 458.612 6.017 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)cc1F 22732129 XQSOVYITTUYQOF-UHFFFAOYSA-O 455.525 5.630 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 24382188 DLKCHQJLQVJICD-RUZDIDTESA-N 466.516 5.170 30 20 JKED C=CCn1c(SCc2c(C(=O)OCC)oc3ccc(Br)cc23)nnc1-c1ccncc1 33473781 DRDUWBZUOIFGET-UHFFFAOYSA-N 499.390 5.504 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)c1 68731157 WWAARFXXPLSKHJ-UHFFFAOYSA-N 468.376 5.930 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 72096698 XNEAXMQRQGPGLI-SANMLTNESA-N 497.624 5.443 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 104647065 WHMYICIQXJIOIN-UHFFFAOYSA-N 498.029 5.400 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1Cl 107649255 GDQRWGGTHAIXKT-QHCPKHFHSA-N 459.958 6.283 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 195662591 VTCNGFMLGIUERZ-SFHVURJKSA-N 482.396 5.733 30 20 JKED COc1ccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC 208140579 TZANYGVSMSQLKL-YBOYZMIGSA-N 495.575 6.012 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 302963283 QOYLWCSHFVBOAQ-UHFFFAOYSA-N 474.260 5.251 30 20 JKED COCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H](C)c1ccccc1 487208553 JQKUXRIRHGJYCQ-GOSISDBHSA-N 477.948 5.179 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc1 490628131 GMHXGFCEXUVNHO-UHFFFAOYSA-N 450.542 5.075 30 20 JKED COc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC1CCCC1 491755419 AYZNWXZGNNEJBE-UHFFFAOYSA-N 484.556 5.462 30 20 JKED Cc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1S(=O)(=O)Nc1ccccc1Cl 494023810 SOHHIUGCBIDJQK-UHFFFAOYSA-N 486.018 5.193 30 20 JKED CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 497526313 MFTRGBMBHMGESS-AREMUKBSSA-N 496.592 5.389 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)cc1 501448575 CKXILSSLBNUZGK-UHFFFAOYSA-N 456.502 5.092 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)cc1[N+](=O)[O-] 502161149 YOFBIXSYIGETAG-UHFFFAOYSA-N 497.939 5.321 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1nnc(-c2ccsc2)s1 502616149 MMKJQMMGOWUPPI-UHFFFAOYSA-N 453.362 5.388 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccoc1C 502729657 VZCNIUSGVYNDER-GOSISDBHSA-N 491.642 5.839 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 503284385 VTDOGEJFVTUTRZ-UHFFFAOYSA-N 451.511 5.307 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nnn(-c3ccccc3Cl)c2C)cc1 504686340 CIULOXIDIZRIPN-UHFFFAOYSA-N 459.893 5.154 30 20 JKED C[C@H](CC#N)N(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 505155245 RUMLYTPFBRAYIA-OAHLLOKOSA-N 474.417 5.153 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 508161923 LZWXHZWQDDNTBB-QFIPXVFZSA-N 486.399 5.051 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc1 508238397 BJZYKDRFUXCUFC-HXUWFJFHSA-N 494.551 6.216 30 20 JKED COc1ccc(F)cc1CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510856677 KFYQHXXLTRNKIW-UHFFFAOYSA-N 474.536 5.156 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 510872028 KCRUIGUCMHWFSO-UHFFFAOYSA-N 488.975 5.692 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccnc2OC2CCCC2)cc1 511419788 ADCBEYOLNQJUOI-UHFFFAOYSA-N 456.546 5.370 30 20 JKED CC(C)[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 512239098 BDYISDIELQRFRT-NRFANRHFSA-N 452.942 5.190 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 512488054 CQRDAMFFYQECIE-FQEVSTJZSA-N 465.563 5.881 30 20 JKED CCn1c2ccccc2c2cc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccc21 512607793 MWDUFLVWULEFOS-UHFFFAOYSA-N 479.540 5.789 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)nc2ccccc21 513687297 PSBQPISYIVHGGJ-FQEVSTJZSA-N 487.357 5.007 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2cccs2)c1 514373843 OFAOLLHFCCNHOZ-UHFFFAOYSA-N 461.008 5.055 30 20 JKED N#Cc1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])sc2c1CCCCCC2 515676538 ODVIHOWXPNPRCL-UHFFFAOYSA-N 453.442 5.380 30 20 JKED Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)oc2ccccc12 517823153 YZIWPAJTOHIPDD-HTAPYJJXSA-N 471.944 5.866 30 20 JKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 517900916 AJVRKQBGGIYQIO-UHFFFAOYSA-N 492.982 6.065 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 518033183 LXSQAENTXAHYQV-UHFFFAOYSA-N 466.610 5.070 30 20 JKED CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N 518654021 ULKPBWZSVUEMRV-KRWDZBQOSA-N 451.621 5.014 30 20 JKED CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 520131144 QQNCZBUDAJFQRS-UHFFFAOYSA-N 475.980 5.060 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)c2)cc1 556185652 LULAHXRAGPENJR-UHFFFAOYSA-N 493.485 5.094 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590332548 QWWYZSFBZIKXGW-VQFNDLOPSA-N 492.435 6.744 30 20 JKED N#Cc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)ccc1Cl 603445519 MVANXZMQDYDKHH-UHFFFAOYSA-N 458.749 5.687 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 603530314 LCTCOGSCTURPKX-AREMUKBSSA-N 474.004 5.758 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)cn2)cc1 603764574 NZEFRHSBDZHPGJ-NRFANRHFSA-N 481.339 5.296 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1Cl 603766755 WRUNWZJEEDDEOY-RBBKRZOGSA-N 463.990 5.690 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1 603948006 QLELPWWRELKQLZ-UHFFFAOYSA-N 455.008 5.837 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1F 604088199 KWPVSQPTXMVDLD-QHCPKHFHSA-N 475.911 5.788 30 20 JKED Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 608894598 NLFPCVPPWSVWDF-UHFFFAOYSA-N 472.932 5.091 30 20 JKED Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C(C)C)c1 609061434 CDSZLYIRQKFEBQ-AREMUKBSSA-N 455.558 5.147 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])cc2Cl)c1 609062283 KMXLCJYPFNLKLX-UHFFFAOYSA-N 451.866 5.106 30 20 JKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062554 VGELERILZVNIGQ-UHFFFAOYSA-N 483.955 5.811 30 20 JKED N#C[C@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(OCc2ccccc2)cc1 609171849 GLCZVEAURCPPNV-MHZLTWQESA-N 487.515 5.061 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)CC2)c1 609204669 BYSSKMPWGZEKED-UHFFFAOYSA-N 458.484 5.253 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)c1 609212407 HRFKSUPRWGBLIN-ZSHCYNCHSA-N 463.422 5.021 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 609370892 GNCTZCNCUOFRIT-SFHVURJKSA-N 462.644 5.876 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1nc2ccccc2o1 614439884 VPJNRBIFGMCGBX-SFHVURJKSA-N 460.287 5.333 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc12 642157884 OOERFVJQGBKPNL-RYUDHWBXSA-N 493.448 6.174 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 726271063 RHZCFJXLTQZTQJ-HYBUGGRVSA-N 494.611 5.445 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CC(F)(F)F)c1cccs1 726421856 QFEKFYCXPCWPDM-BHIKLTIHSA-N 475.945 5.354 30 20 JKED CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1OC 726428001 COZCGYAWHMRQHD-SOFGYWHQSA-N 462.340 5.110 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)c(Cl)c1 726891050 MWQBZAZACKEUOG-QFIPXVFZSA-N 477.973 5.095 30 20 JKED N#C[C@H](C(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(SC(F)F)cc1 727627027 BRSMVZVRYMCKKX-OAHLLOKOSA-N 458.408 5.180 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 728062054 HSSBHWKAWUDRKC-HNNXBMFYSA-N 450.882 5.138 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 728121776 PLAAGCDZPLVWMW-IBGZPJMESA-N 484.984 5.169 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1-c1c(Cl)cccc1Cl 728411857 NLEAZCXDYHNWQG-CYBMUJFWSA-N 496.326 5.158 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cc(C3CC3)[nH]n2)ccc1Cl 728604005 KTSORWRIGPLFCJ-UHFFFAOYSA-N 491.400 5.228 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1CCCCC#N 728777699 MVGAFIRMACHOQB-QFIPXVFZSA-N 498.052 5.369 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)c1 728780738 XZYZZAWVZLFNCO-HXUWFJFHSA-N 490.963 5.581 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ncccc2C)C1=O 729634573 OKEPYDZZJATBHP-DEOSSOPVSA-N 488.613 5.339 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](NC(=O)c3ccc(C)cc3)c3ccccc3)n2)cc1 729892658 GADMGBBEHHYOSM-DQEYMECFSA-N 495.604 5.865 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730460870 HUYHRPZRWWHHFC-GOSISDBHSA-N 499.461 5.376 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(C3CCC3)C2=O)cc1Cl 730461153 LODJDEBJEULFGN-LJQANCHMSA-N 461.946 5.001 30 20 JKED Cc1nc(-c2cccs2)ccc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731067614 BGORPTUMYCFFSC-OAHLLOKOSA-N 451.573 5.166 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c1 731306439 BHNJKRATWZGDCT-WZONZLPQSA-N 477.586 5.194 30 20 JKED C[C@H]1CN(c2ccc(CNCc3cccc(OCc4ccccc4C#N)c3)cc2F)C[C@@H](C)O1 731360414 BDIQYNZSPNKELL-OYRHEFFESA-N 459.565 5.180 30 20 JKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3SCC#N)cc2Cl)n1 743900967 SBDXDGQOPWHOOM-MRXNPFEDSA-N 467.982 5.221 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)cc1 745302986 RPWOKRPTEUGADH-OAQYLSRUSA-N 482.367 5.173 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 745313813 XOQBUDGZOZNSPX-KKSFZXQISA-N 452.963 5.629 30 20 JKED Cc1csc([C@@](O)(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(F)(F)F)n1 746838009 WSIPOIWAWRJWPY-FQEVSTJZSA-N 481.883 5.548 30 20 JKED Cc1cc(C)cc(-n2c(-c3ccc(Br)cc3)nn(CN3CCC(C#N)CC3)c2=S)c1 747077887 IIDTUJUANVPWMT-UHFFFAOYSA-N 482.451 5.643 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 751057670 UEZVIKWLDDWZLJ-UHFFFAOYSA-N 491.426 5.270 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1F 799211166 JEAVQRQRCLAZDK-KRWDZBQOSA-N 484.767 5.379 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1ccc(SC(F)F)cc1 799216426 AYXQUFTVHNLPRD-OAHLLOKOSA-N 489.491 5.524 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837446805 NOWIBZUTKCPPJW-FDDCHVKYSA-N 476.577 5.559 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 837530864 BFAHHNHHFLATDQ-QRWLVFNGSA-N 499.423 6.110 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1[C@H](C)c1ccccn1 838197024 DOMVATPUOWQMQR-HOYKHHGWSA-N 488.613 5.374 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1[C@H](C)c1ccccn1 838197175 DOMVATPUOWQMQR-KOSHJBKYSA-N 488.613 5.374 30 20 JKED O=[N+]([O-])c1cc(C=Nn2c(S)nnc2COc2ccc(F)cc2)ccc1Oc1ccccc1Cl 839415424 IVUSNEWTMQYDBW-UHFFFAOYSA-N 499.911 5.521 30 20 JKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(N(C)CCC#N)cc2)NC(=S)N1c1ccccc1 839443359 NKRVGNPWHHVKTH-SANMLTNESA-N 499.615 5.524 30 20 JKED CC(C)Cn1cc([C@H]2N(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC23CCOCC3)cn1 849536357 ZPDWFBAQJXPMOZ-HHHXNRCGSA-N 484.600 5.391 30 20 JKED N#CC(CCOC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)(c1ccccc1)c1ccccc1 912956028 GISIZHACPJUTRW-UHFFFAOYSA-N 460.748 5.681 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914548629 NSFKSYILBQCAGZ-UNMCSNQZSA-N 453.995 5.092 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3csc(-c4ccc(OC)cc4)n3)cc2c1C 914773817 YNFSGICPTHSDQD-TWGQIWQCSA-N 450.541 5.420 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)nc(O)c2c1C 915106917 IXMRXCYFDKWQCB-QWHCGFSZSA-N 487.557 5.257 30 20 JKED CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915200046 UCFJCNBSPJNZNR-DQEYMECFSA-N 458.537 5.088 30 20 JKED COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2nccn2C)c1 915351771 CBRFLZKRFFHUDS-CLJLJLNGSA-N 481.556 5.004 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915353239 MJGZUWAXXYVCLK-XZOQPEGZSA-N 492.373 5.530 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2cccnc2SCc2ccc(F)cc2)c2ccccc21 915572751 XDEJXARLCUCVIB-UHFFFAOYSA-N 473.529 5.421 30 20 JKED N#CCCN(CCC#N)Cn1nc(-c2ccc(Br)cc2)n(C2CCCCC2)c1=S 915794490 OSMRKIULVUOYQU-UHFFFAOYSA-N 473.444 5.436 30 20 JKED COc1cc2nc(/C(Cl)=C\c3cccc(OCc4cccc(C#N)c4)c3)nc(O)c2cc1OC 915983793 AFFXFTSIGKWLFN-SRZZPIQSSA-N 473.916 5.540 30 20 JKED C=CCOc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1OC 916272829 KDHHXESTTBSIGW-UHFFFAOYSA-N 465.962 5.542 30 20 JKED Cc1sc2ncn(N=Cc3c[nH]c4ccc(Br)cc34)c(=O)c2c1-c1ccccc1 916283522 FQCDKTJDXUSRPX-UHFFFAOYSA-N 463.360 5.559 30 20 JKED CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916721355 VVUMFPUXGBXAAK-AZPGRJICSA-N 478.618 5.097 30 20 JKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847821 WMKJBNLZAMFUJZ-HXUWFJFHSA-N 469.566 5.258 30 20 JKED Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1C 916847875 XHNZPEZMKVYBAX-KRWDZBQOSA-N 489.626 5.047 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1[C@@H](C)c1ccccc1 916931857 OLAISQKFIZTDHY-MGPUTAFESA-N 454.357 5.982 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1cccc(C(F)(F)F)c1 916932433 VKZJTQXGCYQHHT-HNNXBMFYSA-N 481.261 5.468 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NN=C(c2ccccc2)c2ccccc2)cs1 917531269 GHGVBLYQBFHYOQ-UHFFFAOYSA-N 458.974 6.353 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3ccnc(C)n3)C2=O)cc1 917699701 AREAPVDEVCYYBN-VWLOTQADSA-N 495.608 5.407 30 20 JKED FC(F)(F)c1cc(Cl)c2nn(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(=S)n2c1 918736787 YIJDJYRHOBPYES-HTQZYQBOSA-N 486.791 5.558 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(Br)cc(C)cc3C2=O)cs1 920066322 OWNFEOCQKHILKY-YBEGLDIGSA-N 483.387 5.866 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C(C)C)c2)no1 920359715 QGTLCFBQRDLYAD-JOCHJYFZSA-N 462.575 5.267 30 20 JKED COc1cc(C=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)cc(OC)c1OC(C)=O 920384954 HGCYYVITGDSZSL-UHFFFAOYSA-N 463.987 5.114 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3F)n2)n(Cc2ccccc2)c1C 920729370 KSVUTDZJGYCALM-UHFFFAOYSA-N 488.544 5.083 30 20 JKED Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c1C 921180498 NFJYWVZAUXFULG-UHFFFAOYSA-N 465.575 5.258 30 20 JKED CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 1523955200 WSOOWFRFGVAXEM-UHFFFAOYSA-N 454.555 5.409 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786103318 PYUYUQRBLSABIZ-NRFANRHFSA-N 481.637 5.146 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cncc3Cl)CCC2)cc1 1786389340 DUHUOYKFWGZBPS-SFHVURJKSA-N 452.407 5.091 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(F)c(F)ccc4c3)CCC2)cc1 1786395148 QIRBJJXNCBCXDV-JOCHJYFZSA-N 469.557 5.215 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccc(OCc5ccccc5)cc34)CCC2)cc1 1787651217 CJBPVWURSFQZNV-UHFFFAOYSA-N 492.579 5.337 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccccc3Cl)cc2)CCC1 1787802887 LKQVMOZRSACHCS-UHFFFAOYSA-N 454.998 5.390 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(=C)CN3C(=O)OC(C)(C)C)CCC2)cc1 1789458319 WHNFUSHVXQSNCV-ZEQRLZLVSA-N 493.648 5.455 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc1 1789576842 JWZFSNJQPAXSEN-ZCTHSVRISA-N 494.595 5.554 30 20 JKED COc1cccc(OC)c1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790082455 ALUIKFIWNCEGQB-UHFFFAOYSA-N 489.959 5.290 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)cc2)CCC1 1790359341 YKAVLRLQEGTZEU-DEOSSOPVSA-N 479.596 5.129 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cccnc5n4)CCC3)cc2)c(Cl)c1 1790767937 SPVQIOXNOYALLG-UHFFFAOYSA-N 481.943 5.216 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Br)ccc4c3)cc2)CCC1 1790910682 OMBRFZVUBUAHQJ-UHFFFAOYSA-N 491.389 5.295 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cn4c(F)cccc4n3)cc2)CCC1 1790918472 AYVHSBNJECJUHZ-UHFFFAOYSA-N 490.655 5.272 30 20 JKED CN(Cc1ccccc1)[C@H](C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1ccccc1 1791130243 QRALINDHLVMNDP-NDEPHWFRSA-N 480.612 5.298 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(CC)nc4ccc(Cl)cn34)CCC2)cc1 1791247798 HUOHDRVWXLJGOK-QGZVFWFLSA-N 464.997 5.510 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)COc3ccc(Cl)c(F)c3)CCC2)cc1 1791295953 GWTVLRYFHFVDPI-UHFFFAOYSA-N 466.887 5.203 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791712370 SRXIFGFSKMETHX-ZJSXRUAMSA-N 495.664 5.536 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)n3cccc3)cc2)CCC1 1791790528 QWEQIEKRRLLOLE-NZQKXSOJSA-N 494.636 5.043 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@@H](C)C#N)c5)cc4)CCC3)cc2n1 1792123553 IHWOYCMNTVDDEZ-SFHVURJKSA-N 478.552 5.825 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4CNc5ccccc5O4)CCC3)cc2)c1 1792124776 HNNJBPHBXFFLDK-CPJSRVTESA-N 494.595 5.325 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793211093 KQRJEUDQOONJPE-IAVMFFSMSA-N 455.042 5.446 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(s1)CCN2C(=O)OC(C)(C)C 1797950954 KHGDKWYZIRQCOU-YRPNKDGESA-N 499.677 5.066 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(F)c(Br)c1)C2 1798592565 YIXBQWVXYTYLMK-REPLKXPHSA-N 479.434 5.151 30 20 JKED CC(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)cc1 1799712140 YBHWPPYSBPZJOE-NUNAXRQHSA-N 469.507 5.266 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cc2cc(F)ccc2[nH]1 1800504707 HNENQZKONNXHIW-LGKQTMLJSA-N 491.566 5.272 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)n2)[C@H]1c1cccnc1 1802495292 JNANWOXUMNPRGS-UWJYYQICSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1802504571 ZHVDOEGHYCIKPB-UKILVPOCSA-N 486.616 5.357 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2F)[C@@H]1c1cccnc1 1802707254 NHIWUCLIBXEEQI-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@@H]1c1cccnc1 1803077303 JGPFNCRGNBGTES-UFHPHHKVSA-N 498.627 5.173 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1803084687 VCXPTKMNPGMCTG-FSJHIGLHSA-N 469.585 5.315 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(Cn4ccnc4)cc3)CC2)C1 1804860056 UZBDJIVQQWMDMM-VAWYXSNFSA-N 488.676 5.168 30 20 JKED Cc1cccc(C(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)cc(C(F)(F)F)c4)CC3)C2)c1F 1805076105 UUXBTDUDDHPRHT-UHFFFAOYSA-N 487.497 5.183 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1)c1ccccc1 1805528087 WXLUTGFSPSFRSI-HWBMXIPRSA-N 492.044 5.313 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)C1 1806027923 NEGWIDNPLIAIPS-QHCPKHFHSA-N 460.618 5.098 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3cccc(Cl)c3OCc3ccccc3)CC2)C1 1809511472 JDTXUOHLFVFJDK-UHFFFAOYSA-N 480.008 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1810175501 ZDZQVUSIBHCHIF-WEWMWRJBSA-N 468.601 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c(C(C)C)nn4ccccc34)C2)CC1 1810448851 JUFCVFFRGYGZMB-UHFFFAOYSA-N 464.654 5.295 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810725385 GBNXVIKLBQCNTE-RFYMFKDESA-N 495.623 5.962 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810942750 BNWSJSGPCCDHKA-SIKLNZKXSA-N 491.529 5.552 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811273277 ONIAONNJUMLELK-CRXYYGHGSA-N 496.655 5.577 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)cn3ccccc23)[C@@H]1c1cccnc1 1811341951 FQMYFHAMTVOAIX-HQQGYVGFSA-N 492.623 5.533 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccccc3-c3ccc(C)cc3)[C@H]2c2cccnc2)C1 1811524402 DOUSYQPXTUHJOZ-UFHPHHKVSA-N 465.597 5.343 30 20 JKED Cc1cc(F)c(F)c(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1811971367 AXHRSDZWOGZVBL-LVXARBLLSA-N 497.662 5.039 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812591407 XKQUFUISMODVOL-XAHYKELJSA-N 468.041 5.393 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1812806032 PKVCPVQATBVGTE-NAKRPHOHSA-N 459.634 5.136 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)cc2Cl)n[nH]1 1815578029 WTNYHZMCLYHDEX-OAQYLSRUSA-N 458.965 5.205 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C(C)(C)C)oc3C)n[nH]2)c1 1816462729 DFVULNCRMMVJCF-QFIPXVFZSA-N 473.577 5.408 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)c(Cl)c1 1816696577 LTSRTEDCJMKUAE-OAQYLSRUSA-N 453.974 5.211 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1 1818115650 HRETZEYIKUOVQY-DGXIYAMASA-N 484.581 5.369 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819077034 UYKHCEIFNDRQRL-OXQOHEQNSA-N 460.600 5.024 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccccc3F)CC2)[nH]n1 1819310979 GVYAQPSQIGTETB-PGRDOPGGSA-N 450.558 5.041 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1 1820483065 RTNHWZBKYRBQNY-NRFANRHFSA-N 459.550 5.100 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(F)c(C#N)c3)n[nH]2)cc1 1820915359 RMFORLROIRDRDP-VWLOTQADSA-N 487.579 5.021 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(Br)cc2Cl)n[nH]1 1821082659 CYUZPEFXADAXAO-SFHVURJKSA-N 495.780 5.074 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)cc1 1821149626 YZADZUCZRFNZAL-HSZRJFAPSA-N 489.551 5.217 30 20 JKED Cc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)s1 1821151072 DKJBLQMXMVFHBE-DEOSSOPVSA-N 495.608 5.194 30 20 JKED CCOc1ccc(Cl)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)[nH]n1 1821154733 RDLWGUQVXIINTA-QFIPXVFZSA-N 491.979 5.262 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@@H]4CCC[C@H]5CCCC[C@@H]54)[nH]n3)c2c1 1821382248 YKNWYXLOXVMQFH-ZSTWQFLISA-N 499.619 5.070 30 20 JKED C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1ccccc1 1822044548 IKNCHWAZYZMOIX-UZUQRXQVSA-N 475.980 5.434 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](C#CC)c2ccc(O)cc2)n[nH]1 1822469034 DKWVHWSATYLBEQ-GZGNHOFSSA-N 474.605 5.073 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823210286 BLIBHVOWAGUWOO-CJFMBICVSA-N 485.588 5.120 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CSC3CCCC3)[nH]n2)c1 1823210436 DAIDLDATFZAYKB-VGOFRKELSA-N 465.623 5.018 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccoc34)[nH]n2)c1 1823216356 HNOCLOHAVOHGNQ-UZUQRXQVSA-N 467.529 5.403 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cncc(C(F)(F)F)c3)[nH]n2)c1 1823217571 NEXCXQFTVFSHBV-YCRPNKLZSA-N 496.493 5.070 30 20 JKED O=C(CCCC(F)(F)F)N[C@@H]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)sc2C1 1823296871 RPSNNWONWDJBII-LLVKDONJSA-N 497.436 5.259 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1823677784 GCDNKVFPYSRNBT-RUZDIDTESA-N 492.982 5.379 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1823812601 MLSSWBSGRMACGA-KWXIBIRDSA-N 490.047 5.178 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824052684 SINRLUPCZLAULM-SANMLTNESA-N 486.660 5.117 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1824141571 VWRDJOPBVUMUBY-VWLOTQADSA-N 481.040 5.285 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1824535576 OTWWDWCQYCRCGO-VWNXMTODSA-N 481.102 5.073 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1824543724 DVNGXRCWBZKPRD-DCFBGRPWSA-N 493.511 5.036 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824636890 CWLSRECCYHFJTQ-QUVATAORSA-N 452.561 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(Br)cc2C)CC1 1826188428 ISMCAYUPNGXSTM-FGZHOGPDSA-N 488.470 5.154 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCCCC3)CC2)cc(C(F)(F)F)c1 1826282996 XSTAPAYFZIRGNQ-HSZRJFAPSA-N 475.555 5.391 30 20 JKED Cc1nc2ccncc2cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1828537062 FFYUVHRVANPNJL-WTYVLRPYSA-N 495.627 5.112 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3cc(C)c(C)cc3[nH]2)CC1 1828827587 YFZOEVGRJRBRSU-DHLKQENFSA-N 462.638 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1829068692 KXXDRFLBOJDHST-RUZDIDTESA-N 496.692 5.710 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2OC)CC1 1829069865 BUPQZDKRXFUJHT-VWLOTQADSA-N 484.681 5.249 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4F)CC3)CC2)c1Cl 1829692063 WKYGUTMTKAYLMY-DEOSSOPVSA-N 494.010 5.316 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1Cl 1829692195 FNHINRFQKCTPIB-RUZDIDTESA-N 476.020 5.636 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830053476 QZQFKUBHEVSDOP-RUZDIDTESA-N 497.561 5.443 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830359016 MNXFVCRCTLWMNU-RXFWQSSRSA-N 493.648 5.040 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830417647 GIDRHLGCXKOJTE-LXFBAYGMSA-N 489.660 5.696 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1830895645 CMQYLCKEJLGKOX-XMMPIXPASA-N 450.623 5.041 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1831443934 FIZHECDGZKERRE-BELIEFIBSA-N 485.619 5.196 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1 1831790389 IWCDDCYDNIGZGA-DHIUTWEWSA-N 489.701 5.046 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)c(Cl)c1 1832607926 RPNYNSJAUIBWAX-VWLOTQADSA-N 481.999 5.135 30 20 JKED CCc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc(C)n1 1832631953 JRVAQJAFTDFYSO-NFQMXDRXSA-N 472.633 5.127 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1C#N 1832703770 SGTPOCJAIVINOA-VWLOTQADSA-N 495.570 5.171 30 20 JKED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CCCCCCCCc4ccccc4)CC3)CC2)C1 1833050948 SYAVJGQLERJMDJ-UHFFFAOYSA-N 493.736 5.498 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CC1 1833290527 GCZJQDLMOQEQLC-UHFFFAOYSA-N 496.454 5.086 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1)c1ccccc1 1837685259 MAVSWKOFJMFWOG-DWACAAAGSA-N 487.644 5.000 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)C2)c1 1844636474 VBZFTDODEKTMEG-IBGZPJMESA-N 478.552 5.186 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CCc3ccc(Cl)cc3Cl)C2)c1 1845934639 JMHHQPDFCFJQHX-KRWDZBQOSA-N 470.400 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C3)c1 1846833082 PKVPCRLOTKEMHS-OAHLLOKOSA-N 475.898 5.117 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 1847265828 QZSNNMMRXHFSNY-VJBWXMMDSA-N 489.701 5.044 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1cccc(Cl)c1 8619800 UTCIEYNSBCNLLG-UHFFFAOYSA-N 477.977 5.279 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)nnc1-c1ccccc1 9446930 TTXRROWFRRUMQY-UHFFFAOYSA-N 488.227 6.476 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl 12018783 KTSIDMFFOJJXIY-UHFFFAOYSA-N 473.957 5.106 30 20 JKED C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1-c1ccccc1OC 14082618 DUAZJPICLYNABU-UHFFFAOYSA-N 464.572 5.284 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccc(C(C)(C)C)cc2)cc1F 14872298 PPCSIFKPTQSHIP-UHFFFAOYSA-O 490.451 7.077 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nnc1-c1cccnc1 18404921 VLVSWRHFXVMVJN-OAQYLSRUSA-N 496.423 6.305 30 20 JKED C=CCn1c(SCC(=O)N(CC)Cc2cccc(F)c2)nnc1-c1ccc(Br)cc1 18960110 XKAGIPLKZXVSPZ-UHFFFAOYSA-N 489.414 5.174 30 20 JKED COc1ccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2cccc(C)c2)cc1 20067935 FVZQDWIYUGDYLO-UHFFFAOYSA-N 469.570 5.048 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2ccccc2SCC#N)nc2ccc(Cl)cc2c1=O 21179662 DIVZTRTUOGYCGX-UHFFFAOYSA-N 473.023 5.052 30 20 JKED C=C(Cl)CSC1=N/C(=C\c2sccc2C)C(=O)N1c1c(C)n(C)n(-c2ccccc2)c1=O 21327265 SMPSFMFCSDNKLP-PDGQHHTCSA-N 485.034 5.084 30 20 JKED CCn1c(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)nnc1-c1ccccc1OC 22132773 ZTFCMKXXKGMACN-CSUZIONRSA-N 462.619 5.335 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22730591 NCUDITDPZWRSMW-UHFFFAOYSA-O 468.042 6.375 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(C(CC)CC)cc2)cc1 22730596 NYJLZJHZIGYNTK-UHFFFAOYSA-O 482.069 6.981 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1-c1ccco1 23201750 LYHVMNFPPLVVTF-OAQYLSRUSA-N 475.530 5.413 30 20 JKED C=CCc1cc(C(=O)N(CCC)CC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 23532577 JUPLUYLERXMFJF-UHFFFAOYSA-N 465.377 5.230 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)ccn2)c1 27647663 ANSQYHDSUCBKIH-UHFFFAOYSA-N 476.385 5.330 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 33024284 WCQGECUGTQYAIN-UHFFFAOYSA-N 486.645 5.034 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccccc3SCc3cc(C)no3)c2)c1 71835361 UBGLBAVFBRHEJE-UHFFFAOYSA-N 482.561 5.714 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2c(C)noc2C)ccc1Cl 109731263 DCLMCJJQWKNJQR-UHFFFAOYSA-N 480.373 5.232 30 20 JKED C[C@H](c1ccccc1)n1cnnc1SCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 117465078 LCIXWAOEZQKEDB-LJQANCHMSA-N 482.613 5.159 30 20 JKED C=CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccc(Cl)cc1 255933367 KPNMDJMSYCDNOD-UHFFFAOYSA-N 461.978 5.628 30 20 JKED C=CCn1c(SCC(=O)Nc2n[nH]c3ccc(F)cc23)nnc1-c1ccc(Cl)cc1Cl 476482518 FCNCKSKNLBZPSO-UHFFFAOYSA-N 477.352 5.184 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)cc1 485223897 PDQHNSOZOXKQEB-UHFFFAOYSA-N 476.540 5.026 30 20 JKED Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1Cc1ccco1 487195385 HIVKGKOFOIAMRP-HXUWFJFHSA-N 471.586 5.322 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 488889484 IFBJEDVTWUIEMJ-UHFFFAOYSA-N 496.441 5.105 30 20 JKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)CC1 491569982 NMEHQAHHVUYEQG-PXDATVDWSA-N 465.041 5.971 30 20 JKED C=CCn1c(SCC(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 498875137 SCSMHWBAHBQELS-UHFFFAOYSA-N 466.916 5.212 30 20 JKED O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 502387686 BZQHAFOHBZZMTE-OAHLLOKOSA-N 451.338 5.673 30 20 JKED CN(Cc1ccc(F)cc1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502857948 DEYOWMQRBRIOHX-UHFFFAOYSA-N 480.771 5.370 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NCCCc2nc(-c3ccncc3)cs2)cc1 503098322 RDEHZTRAAJESCJ-UHFFFAOYSA-N 454.555 5.018 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 505618409 GNQIPEWRFSELCE-UHFFFAOYSA-N 474.904 5.634 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2nccs2)cc1Cl 510302916 HKQLPNCDOYZMGY-FYYLOGMGSA-N 486.984 5.296 30 20 JKED CCOc1ccccc1N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510888940 DTDNGLINZRJSRH-UHFFFAOYSA-N 456.546 5.412 30 20 JKED N#Cc1cc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)ccc1OCC(F)(F)F 511620514 PKRGKPZEVPEMOI-KRWDZBQOSA-N 468.273 5.631 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 512857756 SRVQYDQQWCYOTQ-QDPGVEIFSA-N 499.567 5.097 30 20 JKED Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cccc1C(=O)Nc1ccccc1 513875261 YFAQUKDONPZUST-UHFFFAOYSA-N 492.554 6.492 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 514547105 BYTSNELISMLYBQ-QHCPKHFHSA-N 456.546 5.286 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl 515163668 VZXNOZGNSHNYEQ-KRWDZBQOSA-N 457.448 5.121 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 515649028 HHVNFUMIJFCQMQ-UHFFFAOYSA-N 466.541 5.950 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 516269895 CLJFXKMBXBHHIT-KRWDZBQOSA-N 468.460 5.513 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 521209816 MWISGMAJXNCPDH-JTQLQIEISA-N 454.342 6.133 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 521717501 YBSYNXYDANXCFJ-UHFFFAOYSA-N 480.387 5.959 30 20 JKED COc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 521738780 ARDWCCNRQUELRM-LJQANCHMSA-N 477.508 5.022 30 20 JKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521739691 ZDGHMGWMRREUAG-CYBMUJFWSA-N 469.916 5.523 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 521741282 ASWCTSIVTIXBGD-KOSHJBKYSA-N 491.588 5.125 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1 523132749 FGUPFAUDEOKNMF-HSZRJFAPSA-N 455.455 6.103 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c(C)c2c1 590235040 OIELREWTRNCUNY-UHFFFAOYSA-N 466.537 6.274 30 20 JKED C=CCN(C(=O)Cc1ccc(NC(=O)c2ccccc2I)cc1)c1ccccc1 603753827 FIKSBFZYJPJNGJ-UHFFFAOYSA-N 496.348 5.305 30 20 JKED N#Cc1cccc(COc2cccc(NCc3nc(-c4cccc(C(F)(F)F)c4)no3)c2)c1 604006990 IISHLKPZXCEZAP-UHFFFAOYSA-N 450.420 5.818 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cccs2)cc1 609436132 VHQSFVGFLQONDH-OSWQYVSFSA-N 491.682 6.500 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nc2sc(C)c(C)c2c1=O 612542949 VTDTUJVKYIIIFT-GFCCVEGCSA-N 451.976 5.173 30 20 JKED CCOc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c2C)nn1 613346593 MIHUBOCQEZFUGS-HNNXBMFYSA-N 499.383 5.290 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)Cc2cccs2)nnc1-c1ccc(Cl)cc1Cl 642160072 QHNBSAHAKFMJQC-CYBMUJFWSA-N 467.447 5.339 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc(O)c2c3c(sc2n1)CCCC3 726318471 KVCMYLZZJZXPHO-AFMYVXGZSA-N 494.661 5.097 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@H](C)c1cccs1 726422289 WEGBCOJPKBZNNH-ARXRJGDJSA-N 487.647 5.847 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(C3CCCC3)C2=O)c1 726422523 XAEJFBAOCQVOFE-QGBHTJAESA-N 457.621 5.089 30 20 JKED FC(F)C(F)(F)COCc1cccc(NC(=S)NCc2cccc(C(F)(F)F)c2)c1 726467574 CXDXHVMVFNNNCZ-UHFFFAOYSA-N 454.411 5.609 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2[nH]c(C)c(C(C)=O)c2CC)[n+]2ccc(C(C)(C)C)cc2)c1 726572835 HOZXOPWPZUCKCF-UHFFFAOYSA-O 486.661 5.978 30 20 JKED Cc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C)n1-c1nccs1 726627463 QMYWGXHDWHQBSV-CAOOACKPSA-N 457.005 5.482 30 20 JKED Cc1nc(/C=C\c2csc(-c3ccccn3)n2)sc1C(=O)/C=C\c1csc(-c2ccccn2)n1 726849017 VYKSBYJQCYBHRM-WGEIWTTOSA-N 499.646 6.555 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C\c1ccccc1Br 727354148 DDKBMGOPCXIRDP-BENRWUELSA-N 470.348 5.229 30 20 JKED N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1ccccc1Oc1ccccc1 727953860 PXGAZXYOZBRINM-NUOQETRUSA-N 466.537 6.161 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 728113112 WDMNECGRUQYAIR-QFIPXVFZSA-N 492.000 5.460 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2ccccc2c1 728424881 IOCRCRSZLBWYBZ-MHECFPHRSA-N 486.597 5.097 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CNC2(c3cccc(Br)c3)CCC2)c1=S 728708411 GXLAYHOQVWWVDI-UHFFFAOYSA-N 485.451 5.665 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)cc1 728779533 JOXFESQRGNWKHC-HSZRJFAPSA-N 462.619 5.520 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2)cc1 729376002 ZZIGZDVHSYBTEI-OBGWFSINSA-N 487.581 5.002 30 20 JKED CC(C)(C)CN(CCC#N)Cn1nc(-c2cccnc2)n(-c2ccc(Br)cc2)c1=S 729467819 FJFXLSYQYYENTC-UHFFFAOYSA-N 485.455 5.447 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@@H]2CCc3c(C)cccc32)C1=O 729630876 FFGYPIRIIYATAR-RTBURBONSA-N 462.402 5.057 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ncccc2C)c1 729634604 OWMJJVSAQCXLER-XMMPIXPASA-N 488.613 5.122 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(C3CCC3)C2=O)c1 730460343 YPMFPWMFCJSEOJ-XMMPIXPASA-N 489.597 5.370 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(CC)c3)N(Cc3ccccn3)C2=O)cc1 730538093 PIZGBYRHRWBWQM-XMMPIXPASA-N 488.613 5.203 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 730606959 PGWGFGDIIJYKCA-UHFFFAOYSA-N 479.505 5.045 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)cc1 730715083 BFNRHUISBNUJPR-OAQYLSRUSA-N 498.992 5.196 30 20 JKED C#Cc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)c1 730742349 AIKFARYWVJYILQ-UHFFFAOYSA-N 458.749 5.192 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 731340126 JZBDJXIQTXZDEJ-AWEZNQCLSA-N 450.532 5.411 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 743524212 IFRFGVMOESRJGA-OPAMFIHVSA-N 480.540 5.390 30 20 JKED CCN(CC)c1nc2sc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cc2s1 744556342 SFJSFYTYXCVUSO-UHFFFAOYSA-N 466.588 5.112 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c1 746698023 SAVDIRLABLARDT-OAQYLSRUSA-N 471.598 5.164 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)ccc1SC 747614335 DTMAWHVJCMGNCS-YFHOEESVSA-N 458.992 6.108 30 20 JKED C=CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 747622350 CETVGMYAHORINP-UHFFFAOYSA-N 493.526 5.583 30 20 JKED CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(C#Cc2ccccc2)cc1 765869534 PBJBVSGPTFMYPD-UHFFFAOYSA-N 466.497 5.095 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)c1C 837401868 KCOCWQJVMCEVMS-DEOSSOPVSA-N 496.652 5.276 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)cc1Cl 837538976 RPHFWMCSDDEEGR-OPAMFIHVSA-N 495.004 5.465 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)n(C2CCCC2)c1C 904998486 NLXAMQYUTVOIJO-UHFFFAOYSA-N 499.493 5.092 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(O)c2)C=C1 912823172 NWHNBBAEQIVZTM-UHFFFAOYSA-O 483.013 5.453 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 914543239 HACDBGZSHLTYTR-HXUWFJFHSA-N 498.967 5.043 30 20 JKED CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102642 BTIYRSUURONAMR-GHTZIAJQSA-N 497.407 5.522 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 916204884 JPOPKGKETSVABC-HXUWFJFHSA-N 486.931 5.174 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCc2ccccn2)C1=O)Nc1cccc(Cl)c1 916207306 YRZLCKJGPJZUBI-NRFANRHFSA-N 482.968 5.077 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)s2)cc1 916833926 ABZGRMYOMBYHAU-JOCHJYFZSA-N 498.589 5.409 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccc(Br)cc2)o1 916883556 MIXLMXQPHXANAZ-SFHVURJKSA-N 473.710 5.236 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)Nc1cccc2ccccc12 916915826 KFFNADVXIFHKHW-HXUWFJFHSA-N 490.382 5.616 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)c(I)c1 916918230 OAMSLMAACIFVLD-OAHLLOKOSA-N 474.685 5.059 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nnc1-c1cccc(C)c1 916975436 ZLNGGWKEKKCEGC-HXUWFJFHSA-N 473.627 5.674 30 20 JKED CCc1ccc(-c2nc(CC(=O)OCC(=O)N(CCC#N)c3cccc(C)c3C)cs2)cc1 918895415 LSMMCMNQOALLSU-UHFFFAOYSA-N 461.587 5.022 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(Cl)c4)CCOCC3)n2)cc1 920144686 WJVLKURUVFZKPR-HXUWFJFHSA-N 452.963 5.397 30 20 JKED N#C[C@H](C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1nc(-c2ccncc2)cs1 920266179 ZOLLUIUCMNMDJE-LJQANCHMSA-N 484.631 6.597 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1cccc(Br)c1 920268180 MQBXZUFAGFWSPK-FQEVSTJZSA-N 477.387 5.865 30 20 JKED N#CCCn1cc(C(=O)Oc2ccc3ccc(C(F)(F)F)nc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 920840069 RUKSFUPYLFDPHL-UHFFFAOYSA-N 481.390 5.158 30 20 JKED N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1 929082528 ZEGREXJQRDVFGC-UHFFFAOYSA-N 486.000 6.139 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)C1 1781457617 DOEXBVWUDZYTDG-SVEHJYQDSA-N 496.598 5.321 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCC2)cc1 1785843155 UJQYBCLOBIPODG-MNNSJKJDSA-N 471.601 5.023 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CSc4ccc(F)cc4F)CCC3)cc2)cc1 1785880589 HEVRJEXUHGHYJA-UHFFFAOYSA-N 491.563 5.305 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(=O)c4ccccc4o3)CCC2)cc1 1786102713 RREGXAYTXAVTKH-UHFFFAOYSA-N 456.542 5.309 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)CCC2)cc1 1786371816 ODOOIXRTIQVTGB-KRWDZBQOSA-N 477.527 5.427 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c(CC)nc4ccc(Cl)cn34)CCC2)cc1 1786678207 LXESBQWZXKUOMK-UHFFFAOYSA-N 483.037 5.217 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)CCC1)c1ccc(O)cc1 1786927330 RTIDZGVUXNXJKM-XTXDOFFSSA-N 479.580 5.132 30 20 JKED Cc1ccc(CSCCC(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)cc1 1788031773 UOQVJGQAIMTJDU-UHFFFAOYSA-N 492.689 5.034 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)n3C)cc2)CCC1 1788847429 ZREMCEAUFOYZLO-UHFFFAOYSA-N 455.427 5.003 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789114416 KGMZRWIAUJSFHK-CCEZHUSRSA-N 458.558 5.563 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4n[nH]cc4c3)CCC2)cc1 1789508924 WWBDDHGYCXXCTB-UHFFFAOYSA-N 472.665 5.362 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(F)c(C#N)c5)cc4)CCC3)cc2c1 1790520464 XHXANFRMXKEVLW-UHFFFAOYSA-N 497.526 5.443 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1 1790705247 NDTZTAIMTNXTLR-RRPNLBNLSA-N 479.580 5.313 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4ccccc4c3Br)cc2)CCC1 1790953164 UWRPCDDZLIOFEM-UHFFFAOYSA-N 476.374 5.654 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)cc2)CCC1 1791033067 DLJYRSSNDCGEOD-QFIPXVFZSA-N 469.626 5.170 30 20 JKED C[C@H](Oc1cccnc1)C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1791892762 MXGMMQWKLMPASI-NRFANRHFSA-N 477.681 5.034 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ncc(C)s3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204157 ODKCGPMLRVOWCT-FQEVSTJZSA-N 498.649 5.059 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)Cc3ccc(C#N)cc3)ccc21 1792638727 JLHPHKIAPYONQU-QEIWAGNOSA-N 490.607 5.181 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc(F)ccc4s2)C3)c1Cl 1799302653 UGKQLAFPIIIKBG-BCDXTJNWSA-N 467.953 5.131 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Br)cc(C(C)C)c3)[C@@H]2c2cccnc2)C1 1802412850 OAPMHUCLTGQURD-YADARESESA-N 496.449 5.253 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@H]1c1cccnc1 1803081792 IEWNUMVTVYENAE-HRFPFMADSA-N 498.671 5.234 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803228198 NQSFZNYJEQSYLK-LHXUXXTBSA-N 468.041 5.393 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4ccccc24)C3)cc1C#N 1803839142 RZDCMJDPFXTHFB-BKFWDETESA-N 467.569 5.064 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCc3cnc4ccccc4c3)CC2)C1 1805452191 SDMIUGYTQWCTOD-UHFFFAOYSA-N 459.634 5.167 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1805687888 VOLRPJURVKVYBL-WMEMMNBJSA-N 498.627 5.541 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3ccc(Cl)cc3)C2)CC1 1806719370 MBCLNEVLHGPVDZ-DEOSSOPVSA-N 473.057 5.499 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1810172644 QUYJQQYYCOGRPF-BXTSTYNKSA-N 480.612 5.232 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3nn(CC)c4ccccc34)C2)CC1)c1ccccc1 1810367530 RRSLXMMWIKJRPR-RUZDIDTESA-N 496.655 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)[C@@H]1c1cccnc1 1810494691 KGOALXHSEJTPLH-MDQGVCTMSA-N 488.676 5.144 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)[C@@H]1c1cccnc1 1810503999 VATIAPVXXUZNRK-KMNJIXJWSA-N 475.633 5.192 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1812235811 YOQWVTNTNJZJHK-WZOHSFFVSA-N 477.008 5.304 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814413875 MGPVUCISDCGCCO-LYQODANLSA-N 473.602 5.508 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1815216312 RTXHEKWAKQTLDY-HRAATJIYSA-N 489.601 5.070 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)[C@@H](C)CC)n[nH]1)C(F)(F)F 1816849116 LVRTWZMMVJDFLK-DLVCFXQMSA-N 462.516 5.350 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccc(Cl)cc1 1818114192 MOIBXFMFSZUIRL-UUEFOYDDSA-N 497.020 5.360 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COCc2ccc(C)c(C)c2)n[nH]1 1818138398 TYVKFABVWICEMF-LADGPHEKSA-N 464.610 5.004 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4cc[nH]c4c3)n[nH]2)c1 1818489145 BZZNONBBRULWQM-OSPHWJPCSA-N 466.545 5.138 30 20 JKED CC1=CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)CC1 1818809686 GSHWKRJLNQWPIN-WMZHIEFXSA-N 475.593 5.121 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2cccnc2)[nH]n1)c1ccccc1 1819521401 PUESPXZFYVEFGJ-AHWVRZQESA-N 483.616 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)[nH]n1 1819555854 FUSODSDPTAORET-UYAOXDASSA-N 489.661 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)[nH]n1 1819555943 LRGVZDYDNVRIKK-DEOSSOPVSA-N 471.605 5.770 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820096297 XQFYJSVLBHYJTD-JOCHJYFZSA-N 485.613 5.672 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)n[nH]1 1820172847 RCZAKTKYHPSJRF-AWEZNQCLSA-N 458.843 5.103 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc3cccnc3cc2F)n[nH]1 1820839303 XGCTYPCQZBEJOV-HSZRJFAPSA-N 477.584 5.324 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1 1820910309 GDGBSRXEYLYQPA-GGKOYUFUSA-N 499.656 5.008 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820964729 UQQSSGZMKSQTKN-WMZHIEFXSA-N 494.702 5.039 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1820970809 MZRZXHJFYQWIJY-KSFYIVLOSA-N 496.999 5.027 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821046659 CZWDXOMTJDTKBQ-VWNXMTODSA-N 478.618 5.462 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4[nH]c5ccoc5c4-c4ccccc4)sc3C2)C1 1821171296 HLGCLQFGHYSVPW-KRWDZBQOSA-N 472.570 5.076 30 20 JKED CCC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)n1cccc1 1821276263 HLTJCHZTRZWQII-VXKWHMMOSA-N 478.984 5.084 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OCc3ccccc3)c(OC)cc2C)n[nH]1 1821286927 IANHYPIRMSFZJA-QHCPKHFHSA-N 488.588 5.188 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)n[nH]2)CCC1 1821364684 PIQBNINAEAVCTA-QHCPKHFHSA-N 489.526 5.355 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)C(=O)CC3)n[nH]1)c1ccccc1 1821447881 ZODFDBWIHMIHST-JYFHCDHNSA-N 494.595 5.042 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cccc2ccoc12 1821533334 ZTIUHIHGZYVKSG-JOCHJYFZSA-N 472.932 5.167 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1821987832 UTSLVFBKZPJTJA-KRWDZBQOSA-N 461.900 5.062 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)c(Cl)c1 1822023565 YGNGPCVWJDFOPE-OQYZPLRDSA-N 465.985 5.067 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)[nH]n2)c1 1823212020 RUQIKGHEZPEJLC-SBUREZEXSA-N 475.980 5.239 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(Cl)c2)n[nH]1 1823243695 BLHNHASIMRISBC-PXNSSMCTSA-N 456.974 5.146 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccc(-c2ccccc2)cc1 1823287432 SZSWWXVJUUUZPG-VKMIRQPFSA-N 481.556 5.095 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)[nH]n2)cc1C#N 1823291026 GCSSYVQTJHNBRW-WIOPSUGQSA-N 489.551 5.085 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1)c1ccccc1 1823590763 RDCNDUJNHDCGGX-ZIHSNCGMSA-N 480.559 5.345 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)cc1 1823684062 YDRFPJTZRTWHII-BVAGGSTKSA-N 489.582 5.028 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1)c1cccs1 1824032671 CGAQKQNZUOQCJO-VROGAIAMSA-N 494.632 5.050 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1824500511 ILZXJRNEGMKUKZ-QFIPXVFZSA-N 467.437 5.210 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1824539251 MVBIGQIOJPEWOW-ZCYQVOJMSA-N 483.653 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)CC2)c1 1824864971 XEBQZCBMPCKNSS-BQQUOAEZSA-N 461.581 5.258 30 20 JKED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)CC2 1825127285 ZUMOSJJTNGYAOA-XJKSGUPXSA-N 469.010 5.091 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c(C(F)(F)F)o1 1825960675 IWDFGCXECQLMCX-JOCHJYFZSA-N 487.522 5.220 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1 1826264129 BNWPIZDQFNRSLI-RPWUZVMVSA-N 489.701 5.046 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828547585 XNGSGGGSZCDISM-JOCHJYFZSA-N 491.682 5.701 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cnc2OCC)CC1 1828826621 JFVJTJAUOPBILE-JTHBVZDNSA-N 474.045 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nn2-c2ccccc2)CC1 1829066535 IIRRTLPBSXRVRH-VWLOTQADSA-N 476.665 5.406 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829565051 KMVMXDPLUZJPSP-YIXXDRMTSA-N 499.655 5.431 30 20 JKED Cc1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829685532 IKZOAPNZVWAZTP-FQEVSTJZSA-N 456.011 5.129 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC4CC4)c(F)c3)CC2)c1 1829957278 HIIJYAPIOXQXFK-AREMUKBSSA-N 489.591 5.033 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274494 CTUJBUUXQKMDFG-QPPBQGQZSA-N 481.040 5.165 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1830416534 UWLGRAFDCAVVOH-AMGIVPHBSA-N 490.648 5.091 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830534694 ZFCLEGBSRFTIIF-HRAATJIYSA-N 454.508 5.290 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1830663926 ZVKUNMIQTNKRRH-DEOSSOPVSA-N 497.998 5.297 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1831058716 GUSHOBICILAHIX-VWLOTQADSA-N 456.586 5.786 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1831373232 AGQRYSOTXAUGGX-KNQAVFIVSA-N 451.636 5.256 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 1831374412 PSFVLMVNPAGQNO-YCRPNKLZSA-N 483.397 5.173 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(OC)cc3C#N)CC2)CC1 1831561203 DOOIBDWDIKVQEZ-HPJWIMSGSA-N 493.692 5.336 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3Br)CC2)C1 1831970574 UWQGDMHKESOTKV-ZUTVHTERSA-N 471.439 5.048 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832550130 NEJNEJFRQIHVIP-RUZDIDTESA-N 491.607 5.340 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832628639 ZITVDNVWCFDAGX-RPJKTDBCSA-N 475.658 5.712 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)c1 1832632352 NUDGSJBBGYLPRN-UUOWRZLLSA-N 474.630 5.404 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CCC1 1832720548 XMUGOKSBWKWSFU-FQEVSTJZSA-N 481.946 5.286 30 20 JKED C=CCn1c(SCC(=O)N2CCc3[nH]c4ccccc4c3C2)nnc1-c1ccc(Cl)cc1Cl 9901381 QMGSCUDGQCMTSV-UHFFFAOYSA-N 498.439 5.596 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCCC[C@H]2CC)nnc1-c1ccc(Br)cc1 10610205 QAQLKMHHOAMALG-CRAIPNDOSA-N 463.445 5.165 30 20 JKED C=CCOc1ccc(C(=O)N(CCC)CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 18004707 CONJUJZEBPCGET-UHFFFAOYSA-N 451.350 5.058 30 20 JKED C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 21644319 LEGOQCGQQOJRSG-OAHLLOKOSA-N 475.599 5.128 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc1coc2ccc3ccccc3c12 23978046 JVJGFFQAOLCGCU-GOSISDBHSA-N 456.498 5.016 30 20 JKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 24346615 FQKTWPTUKZEQQQ-IAGOWNOFSA-N 473.602 5.421 30 20 JKED Cc1sc2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)n(C)c(=O)c2c1C 24416509 CVMULOKKMOVUOM-UHFFFAOYSA-N 483.663 5.138 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 26036489 SRBXSWISVZGVRX-UHFFFAOYSA-N 487.669 5.917 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1 28780542 BKLILOLSTJTJTR-UHFFFAOYSA-O 486.488 7.246 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)c3ccc(C#N)cc3)c([N+](=O)[O-])c2)c(C)c1 29587404 RDJJSMXMWSSQFM-KRWDZBQOSA-N 450.520 5.057 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1Cl 45697783 YPQMHGGAEKYXQT-UHFFFAOYSA-N 462.966 5.407 30 20 JKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 69643757 ARPUINPLRVZIBX-UHFFFAOYSA-N 485.359 6.071 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 105674133 LGJHUVAKMSVFOH-UHFFFAOYSA-N 451.505 5.602 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 106081524 PRWOFPWTSGZRHE-DEOSSOPVSA-N 470.504 5.068 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nc(C(C)C)n2)c1 116322820 GDCJJWIIZNNUTN-UHFFFAOYSA-N 485.009 5.195 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 195548704 MBNJFRPQKWLYHB-UHFFFAOYSA-N 470.916 5.170 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(CCc2ccccc2)CC1 195634910 YPOUAVSWGWPACE-UHFFFAOYSA-N 454.574 5.488 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccccc1F 215789572 MRYICYIWLNYJFW-QFIPXVFZSA-N 482.581 5.469 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccoc4C)o3)c2C#N)C1 255931893 LMRPSXBJUCNWMN-AWEZNQCLSA-N 470.620 5.843 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 303164720 ALZKRSRAKZHMPU-UHFFFAOYSA-N 463.534 5.003 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)nc2C)n[nH]c1=S 303195366 NBBTVWPLYXGVOO-UHFFFAOYSA-N 475.603 5.090 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 409455410 GRIXZCVDMOVLED-VWLOTQADSA-N 472.976 5.361 30 20 JKED CCN(CC)C(=O)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 476512137 MOMPFQOPYOFACE-QFIPXVFZSA-N 452.986 5.108 30 20 JKED Cc1nc(SCC(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c(C#N)c(C)c1C 480803434 GTDSANILMSUJMU-LJQANCHMSA-N 473.602 5.492 30 20 JKED COc1ccc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2Cl)cc1 481047231 LAXGVXDIDJNDQJ-HNNXBMFYSA-N 465.962 5.187 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccccc3CN3CCCC3)cc2F)c1 481622461 IVSDVRIOKSNCCI-UHFFFAOYSA-N 458.537 5.194 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(CSc4ccccc4)cc3)CC2)c1 501746554 YRJCTIWNHNHGRC-UHFFFAOYSA-N 455.583 5.341 30 20 JKED C=CCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc(-c2ccccc2)cs1 503250823 JVFXJZDSSNYBKO-UHFFFAOYSA-N 469.595 5.952 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 507979441 HFDRPCXLZZUGGV-HXUWFJFHSA-N 484.556 5.918 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510021993 AKTGJUSBLDZATF-UZLBHIALSA-N 460.990 6.830 30 20 JKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)CSCc2ccc(C#N)cc2)c1 510027643 IRDICKGFDZTUCR-FQEVSTJZSA-N 457.599 5.540 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510052810 BZIYSSBVVHBBJG-XMMPIXPASA-N 472.976 5.294 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCc2ccc(C#N)cc2)nnc1-c1cccs1 510366527 GQZYLANCLFFRBM-SEVLPDGMSA-N 477.659 5.284 30 20 JKED CSCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nnc2ccccn12 510540319 UYPQSNTUHOOZSL-FQEVSTJZSA-N 458.547 5.009 30 20 JKED COc1ccccc1[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)N1CCCC1 514153899 LYLAQWVGMBWRRE-HHHXNRCGSA-N 486.591 5.255 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 514647197 JLAWKFWTTLOAKL-SFHVURJKSA-N 498.396 6.021 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 515540310 MRLFZFKRMONXCG-LLVKDONJSA-N 464.831 5.783 30 20 JKED CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515813004 CLIVNVOEPPGYTM-RPWUZVMVSA-N 459.977 5.490 30 20 JKED CN(Cc1ccc(Br)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515968439 KCGXDRHNEYWLNF-UHFFFAOYSA-N 498.764 5.364 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)[C@@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)c3)cn2c1 516270457 ZGZJGWGEZWJWJG-XMMPIXPASA-N 489.560 5.707 30 20 JKED COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 517460285 BFSBAHXCZVNGTI-CYBMUJFWSA-N 480.512 5.117 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)sc2nc(C(F)(F)F)ccc12 517460914 FMDRMZZMZPMYBM-UHFFFAOYSA-N 489.466 6.900 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2cccs2)cc1 518159002 JHLLIHGZIPSZGA-HSZRJFAPSA-N 463.628 5.722 30 20 JKED C=CCN(C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 518258883 AWSOJLCHJJTGKF-FCHUYYIVSA-N 482.588 5.892 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 519954356 SIFPCSBQMALMCZ-VPUSJEBWSA-N 482.584 5.113 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)Nc2cc(C)nn2CCC#N)s1 520111680 LXONKDPRPVZSDE-UHFFFAOYSA-N 472.574 5.162 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 520429299 JQXUIJIGLZBPKG-MRXNPFEDSA-N 491.567 6.264 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)c2)cc1 520601108 CXNLSDYOGJAWLX-QHCPKHFHSA-N 451.885 5.748 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4ccc(Cl)s4)nc3C)n2)cc1 520662882 NLYBVJQRHDTGEE-AWEZNQCLSA-N 472.016 6.456 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F 521749721 WNOVFDUSBHXOCC-UHFFFAOYSA-N 485.281 5.328 30 20 JKED Cc1c(NC(=O)c2occc2COc2cccc(C#N)c2)cccc1C(=O)N1CCc2sccc2C1 523956748 LUEIPMKHGFLHRS-UHFFFAOYSA-N 497.576 5.551 30 20 JKED COc1ccc([C@H](CNC(=O)CSc2nc3c(cc2C#N)CCCC3)c2c[nH]c3ccccc23)cc1 585688549 VYNJRBREOCAPCD-DEOSSOPVSA-N 496.636 5.362 30 20 JKED CC(=O)N(c1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cs1)c1c(C)cc(C)cc1C 590615091 YWUQUVSBTZXICL-UHFFFAOYSA-N 487.673 5.333 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 603649352 KXBFFFXCMPQSIP-UHFFFAOYSA-N 496.552 5.437 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604026856 JLKURKPWFXHRQM-UHFFFAOYSA-N 465.962 5.623 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H](C)c1cc2ccccc2o1 604424873 VPVPHSYIRZHISU-KRWDZBQOSA-N 454.486 5.040 30 20 JKED C=CCN(C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604513934 GOTSVOQPEQVCLU-UHFFFAOYSA-N 482.949 5.331 30 20 JKED N#CCC[C@H](C#N)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 608846051 SMEUAOALJFLIIC-LJQANCHMSA-N 452.539 5.714 30 20 JKED Cc1ccc(SCc2cccc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c2)c(C)c1 608951634 QHTRIPTZCSEGSP-UHFFFAOYSA-N 456.615 5.261 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 609060463 FOEZKEARCLPUNS-UHFFFAOYSA-N 470.510 5.730 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)c2)cc1 609175748 AEFXCTJXGHDBQR-UHFFFAOYSA-N 481.581 5.599 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Br)ccc1F 609389488 SOFHTVDROZSRRZ-CYBMUJFWSA-N 453.402 5.712 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609402005 RHWCNZIQAZXYTD-JHJVBQTASA-N 453.452 5.969 30 20 JKED Cc1ccc(C)c(Oc2ccc(CNC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cn2)c1 609436162 HIOXEOAXHBGSQI-UHFFFAOYSA-N 492.535 5.410 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccc2ccccc2n1 613292215 CPZGYWBEUYCLIU-NRFANRHFSA-N 460.320 6.284 30 20 JKED CC(C)c1noc2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc12 613347394 ZMVOUSPLKRYZAL-OAHLLOKOSA-N 457.342 6.267 30 20 JKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619710484 FPDPJQFEVYYDDP-ZIAGYGMSSA-N 494.407 6.530 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 619945014 WQWYDBAVHOPUOH-KBPBESRZSA-N 466.401 5.029 30 20 JKED O=C(Nc1cccc(OCC(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642507667 SJYORKXNMADRQF-NXEZZACHSA-N 452.317 5.659 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)cc1 726418736 FJBMVIXFRVSWIK-NPCNHFMYSA-N 478.643 5.603 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)n1 726877543 OLMJRBCZUOLTOG-HZPDHXFCSA-N 494.671 5.098 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)ccc1S(=O)(=O)C(F)F 727267111 NSPNOASMCODGNC-UTCJRWHESA-N 454.800 5.260 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCCCC#N)c1cccs1 728776872 CLBYJROJVCPCNZ-KFNSLDQGSA-N 476.574 5.110 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(CCCCC#N)C1=O 728779839 MLDXGKHJKJOBHQ-QHCPKHFHSA-N 478.618 5.473 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ncccc1C 729634566 OGKLYOJUUJGVGC-XMMPIXPASA-N 488.613 5.122 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 729634730 RVSQRHFYKJOFLR-XMMPIXPASA-N 490.604 5.813 30 20 JKED Cc1nn(C)c2ncc(/C=C3\CCc4nc(-c5ccccc5Br)sc4C3=O)cc12 730436037 JUSXZZMPTRSRBN-NTEUORMPSA-N 465.376 5.375 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CCC2)C1=O 730460717 CWIRQHIOYGIKKP-IBGZPJMESA-N 478.401 5.515 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1CC2 731060741 PJRUSVMJMOZFPH-INIZCTEOSA-N 462.596 5.703 30 20 JKED Cc1cc(Br)ccc1SCC(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731062075 FWLLMCLAXKOZCE-CQSZACIVSA-N 493.448 5.283 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Br)ccc1Cl 731062816 LKRIRUANFLXXPL-LBPRGKRZSA-N 467.772 5.150 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 731306556 ARGBAUNYXHVWLQ-GAJHUEQPSA-N 474.586 5.071 30 20 JKED CC(=O)Nc1ccc(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)cc1 745867793 MNJMBCUKYOTBCQ-HSZRJFAPSA-N 474.542 5.480 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CC(F)(F)F)C1=O)Nc1ccccc1 799221722 RHQDJDAOGKTMKR-OAHLLOKOSA-N 476.307 5.516 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1c(C)cc(C)cc1Cl 799223316 HNIQFVJANXTZOE-SFHVURJKSA-N 493.938 5.569 30 20 JKED COc1ccc(/C=C2/N=C(SCc3cc(C#N)ccc3F)N(c3cccc(OC)c3)C2=O)cc1 808407233 VOXXDIXAEZLRFB-ZMOGYAJESA-N 473.529 5.392 30 20 JKED CCOc1ccccc1Nc1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)s1 808484946 LXHWECKVWUIVLY-MRXNPFEDSA-N 493.639 5.772 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c3c(C)noc3n2)c(C)o1 813324943 ULGZBTCAPJUOAD-AWEZNQCLSA-N 478.892 5.117 30 20 JKED C=C(C)CN1C(=O)/C(=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)SC1=S 814292146 OROMRGZPXJHGNB-NVMNQCDNSA-N 463.411 6.023 30 20 JKED COc1cc(/C=C(/Cl)c2nc3cc(Cl)ccc3n2Cc2ccccc2)ccc1OCC#N 834909773 PXRMIHUQLNOHGL-DEDYPNTBSA-N 464.352 6.386 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(C3CCN(C(C)C)CC3)C2=O)c1 837301776 OPIGHAJHPZLMAC-RUZDIDTESA-N 492.689 5.445 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N([C@H](C)c2ccccn2)C1=O 837447703 ABHRCNOHKAIOGH-NTKDMRAZSA-N 488.613 5.429 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)c([N+](=O)[O-])c1 837537281 HOHMVIKWHWQWSF-HTAPYJJXSA-N 489.557 5.020 30 20 JKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 912845059 SDGPVGSLUDHQFN-AJSBUHFISA-O 480.698 5.861 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915180996 VHMNAINTILKWFW-MHZLTWQESA-N 491.616 6.634 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915200054 UFVZUAJQVFQLTH-MUUNZHRXSA-N 487.559 6.931 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)c(C#N)c(C)c1C 916064620 UGYYMTSMPFSQOW-UHFFFAOYSA-N 490.972 5.063 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C(C)C)cc1 916206091 LZJXIVFEHWMRIC-QFIPXVFZSA-N 453.608 5.034 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccc(C)cc2)cc1 916211910 GYSPNIKNXDQLQK-DEOSSOPVSA-N 489.597 5.173 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 916217358 LLISEBRJRCSNMA-JOCHJYFZSA-N 483.540 5.115 30 20 JKED C=CCOc1c(Br)cc(C=Nn2c(S)nnc2-c2ccccc2C)cc1OCC 916341908 OVBYMZCMLVPBIA-UHFFFAOYSA-N 473.396 5.150 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916719273 ALSLZJPGVKKCSY-HIXSDJFHSA-N 483.059 5.049 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916887058 KSAFYAWXUUMPKJ-JOCHJYFZSA-N 478.520 5.979 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916909647 NQFSZJLQWHTCTF-KRWDZBQOSA-N 477.998 6.203 30 20 JKED C[C@H](NC(=O)c1ccc(Br)s1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975460 CQYLRXJEQNKEQT-GWCFXTLKSA-N 494.823 5.282 30 20 JKED CCOCCn1c(-c2ccc(NC(C)=O)c(SC)c2)csc1=Nc1ccccc1C#N 917646376 KVPLMTRUUFCKDZ-UHFFFAOYSA-N 452.605 5.037 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc2ccccc2c1 917698791 FLKNGQLYIXUROB-DEOSSOPVSA-N 491.613 5.235 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C2CCCC2)C1=O 917705152 VGHSLTCZAVDUMQ-QHCPKHFHSA-N 476.602 5.250 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 918553691 GNYZZJHHUYIIAR-UHFFFAOYSA-N 468.897 5.278 30 20 JKED COc1ccc(-c2nc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)nc(O)c2C#N)cc1 920071198 XVUPDIMRMNILCO-UHFFFAOYSA-N 486.340 5.379 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)cc1 920141593 FTDUSTZNCPYTHH-UGKGYDQZSA-N 467.550 5.201 30 20 JKED C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 920815245 BKJFPZWTFHTYMJ-CYBMUJFWSA-N 488.909 5.266 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC(F)F)cc2Cl)C1 1780071733 XREOTVIRTMGMHV-CJFMBICVSA-N 498.998 5.061 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(F)ccc4Br)cc3)CCC2)CCC1 1785958453 JSINJVPIBZJKIN-UHFFFAOYSA-N 470.342 5.030 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)CCC1)C(F)(F)F 1786200976 DNZNJNMOYYRORN-UHFFFAOYSA-N 488.506 5.301 30 20 JKED COc1ccccc1CCC(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1786239171 OENNOBLLKUSNCR-JQIJEIRASA-N 488.609 5.263 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(F)(F)F)cc2)CCC1 1787350628 YLYPDGIDSAGXKE-UHFFFAOYSA-N 457.496 5.617 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(C(F)(F)F)ccc5[nH]4)cc3)CCC2)CC1 1789230360 YRZVOZYZCWHCIO-UHFFFAOYSA-N 466.463 5.238 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c2cc(O)ccc2n1 1789242880 MBYAGPCQAXMIBX-UHFFFAOYSA-N 490.563 5.376 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3c(F)cncc3F)cc2)CCC1)c1ccc(O)cc1 1789869765 XOYJJRPVZARSME-LJQANCHMSA-N 489.522 5.010 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C)c3)CCC2)cc1 1790511068 MLGWUSDEEBTFLI-UHFFFAOYSA-N 499.405 5.015 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccnc4)CCC3)cc2)c(Cl)c1 1790763867 CXKVIUXIAPMBBT-VZUCSPMQSA-N 456.933 5.068 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5c(O)cccc45)CCC3)cc2)c1 1790796386 MMOUJIJZEQHKFK-UHFFFAOYSA-N 476.536 5.182 30 20 JKED C[C@@H](Cc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1791767565 NLNQGFGVOFYNTB-SFHVURJKSA-N 472.976 5.233 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccccc4Br)CCC3)cc2)CCC1 1792232734 KPQDZLRUKZXNPX-UHFFFAOYSA-N 496.405 5.046 30 20 JKED C[C@@H](c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc(C#N)c2)cc1)C(F)(F)F 1792940342 FRZWTOYEKHZIGF-TZAMREQXSA-N 497.561 5.038 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)oc1C(F)(F)F)c1ccccc1 1795140145 KTRAQFJAXFCGFA-WOZUAGRISA-N 472.507 5.056 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)[nH]c2c(Cl)cccc12 1796704053 PVPJFWIZWYBOAH-BJWYYQGGSA-N 481.383 5.220 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3cc(Cl)ccc13)C2 1798419744 FRPUGOXUVQEPGE-ACDBMABISA-N 470.089 5.124 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)sc2Cl)c1Cl 1798982874 MLRFWSSOVPFAKO-CLLJXQQHSA-N 468.793 5.146 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(C)(C)C)cc2)cc1C#N 1800498431 OVFPXTJVZFTKKR-BKFWDETESA-N 489.616 5.088 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)[C@@H]1c1cccnc1 1803078350 ASCQTVMAIHIHEK-CLJLJLNGSA-N 459.634 5.125 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1803083388 CAQQFZIYPUTGMA-XNMGPUDCSA-N 468.601 5.026 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803446781 BPZSOQJEFXJMFM-VCCQQEBNSA-N 490.047 5.128 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(CCCCC)cc3)C2)CC1 1805364005 MWDJELBRJFUIHM-CCEZHUSRSA-N 494.676 5.173 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)C1 1805456832 JWRSBCJTFBNLEX-UHFFFAOYSA-N 466.025 5.501 30 20 JKED CC(C)=CCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1807987080 DLVOPIBQNOZJRA-BVRKHOPBSA-N 491.635 5.547 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808160902 YLATXTJAMCXFNG-VGSWGCGISA-N 486.950 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1809095347 GQQXQZIOQYNSRL-ZEQKJWHPSA-N 470.617 5.250 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3csc4c3CCCO4)C2)CC1)c1ccccc1 1810463524 VGGYBSODYKRQJT-QHCPKHFHSA-N 490.669 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2Cl)N(C)C)[C@@H]1c1cccnc1 1812430030 FRYPCMLPGSZDBA-ZODMCCGTSA-N 497.083 5.036 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1813050354 NVCRSLJDLMCSNN-ABYGYWHVSA-N 465.597 5.180 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1813970992 ITSSPEQJNQUUTC-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1815205770 LRJJCICWNLIICW-RJRNSMGGSA-N 490.526 5.117 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CSc3ccccc3)n[nH]2)c1 1816952995 GFRNFOMDKQBGDH-WZONZLPQSA-N 473.602 5.135 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3C(C)(C)C)n[nH]2)c1 1817711563 RMHNSSGGVLQVMV-FDDCHVKYSA-N 484.604 5.349 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cccnc4s3)n[nH]2)c1Cl 1818573993 VFILKAJYBCUWNB-GOSISDBHSA-N 490.976 5.164 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occc4c3)n[nH]2)c1 1818709063 BIXDHOICMDQAFD-GAJHUEQPSA-N 467.529 5.403 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cccc2ncsc12 1819152251 IMEOQECIAHGVOJ-NRFANRHFSA-N 489.988 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCNc2ccc(C)cc2C)n[nH]1 1819463950 RTRBVCSZZPMIGB-ZJSXRUAMSA-N 463.626 5.289 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(C)C)CC3)[nH]n2)c1 1820209088 WVPRUYVOYVDIBN-SKPFHBQLSA-N 477.609 5.058 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1820641796 GNWIFORWLAIOKS-KBMIEXCESA-N 485.588 5.445 30 20 JKED CCOc1ccc(Cl)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1821154996 WGHPCXFMWIAHDS-NRFANRHFSA-N 495.942 5.092 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4sccc4c3O)[nH]n2)cc1 1821181899 ULMBRQIAPHRSRA-NRFANRHFSA-N 485.569 5.016 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5scc(-c6ccccc6)c5[nH]4)sc3C2)C1 1821217274 DXZPIKHQPFLGJG-QGZVFWFLSA-N 488.638 5.545 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(Br)c3CC)n[nH]2)C1 1821242065 FNPSHPOZHOSSBH-HXUWFJFHSA-N 471.399 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821242597 JWBSQUDICHPCKT-NQIIRXRSSA-N 496.409 5.118 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)c12 1821494119 XEJOYYTUCPOXBX-GAJHUEQPSA-N 496.571 5.146 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1)NC(=O)OC(C)(C)C 1823347798 GEVUELRECHCFDH-URVUXULASA-N 499.656 5.008 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)[nH]n2)CCC1 1823378909 RFHYXNVDGJOKIL-QHCPKHFHSA-N 471.536 5.216 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc(Br)c3)CCCC2)[nH]n1 1823422642 YKLAERJHEOUSSB-NRFANRHFSA-N 497.437 5.090 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(F)CCCC=C2F)n[nH]1)c1ccc(O)cc1 1823588700 DZQMBLOEHOWXOS-FBIATWESSA-N 496.558 5.050 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)cc1 1823683288 KCUBVUOFVFGJTI-QHCPKHFHSA-N 499.442 5.126 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824052031 YCTWYGVCQILZKX-AJTFRIOCSA-N 489.685 5.291 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)cc1 1824881922 GUFLGTAXNAZAEF-VWLOTQADSA-N 481.999 5.021 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1825783654 MLHXUMUNWJXOMT-JOCHJYFZSA-N 458.744 5.341 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1826315792 YWSXYHMNFZTFKU-SILAICFJSA-N 478.658 5.301 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)ON=C(C)C)CC1)c1ccccc1 1826421603 BSYZDISBIIGMHT-RLBRRGQKSA-N 469.670 5.237 30 20 JKED O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826524047 RLQPQLWVVFLIJF-AREMUKBSSA-N 474.004 5.106 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826672081 CNJGEJHETVCTKF-GOSISDBHSA-N 482.440 5.420 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)oc2ccccc12 1828128501 UEOOLAAXDONXHQ-DEOSSOPVSA-N 455.558 5.160 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1)c1cccs1 1828417589 PTFNBXBKGFJGNK-ZDEWPJPBSA-N 496.595 5.024 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(-c4nccs4)noc3c2)CC1 1828501303 BSEIEPXGPCVVFK-GCJKJVERSA-N 492.645 5.397 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)CC1 1828602050 OZDKCUVIFGEKLK-KDOFPFPSSA-N 495.508 5.215 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1828779428 YRLSNXZSNIHXAM-WZONZLPQSA-N 499.677 5.102 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1828889133 NHTDMMGNWDGSCW-AHWVRZQESA-N 488.628 5.392 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829596995 WDXNQNAKJYNROV-HSZRJFAPSA-N 488.657 5.679 30 20 JKED CCOc1c(F)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1830016294 DATWSZYTPMCUPJ-DEOSSOPVSA-N 497.998 5.297 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2)CC1)C(F)(F)F 1830119740 DRNKFGIGSZXXTN-IBGZPJMESA-N 487.360 5.109 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)CC2)c1 1830191550 IQIHPCQJBIYGMX-PIKZIKFNSA-N 482.628 5.271 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(CCCCC)c2)CC1 1830344602 QGCIZVPTZWQEJX-HHHXNRCGSA-N 496.692 5.091 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830449229 JBDVKDBXRAWXOI-MUEKUWCCSA-N 486.628 5.436 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)cc1 1830631640 KUGZECOAGXOMAU-QFIPXVFZSA-N 485.415 5.002 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1830663241 DCTBZOKKAHIMCE-DEOSSOPVSA-N 497.998 5.297 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)sc2c1 1830717498 KVPJKVPOUWDAPK-HSZRJFAPSA-N 490.604 5.163 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1)C(F)(F)F 1831453153 SJEFVAHPSAAVCV-HXUWFJFHSA-N 468.947 5.110 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3F)CC2)c1 1831570011 QTBFVNRMWSMAQX-SIBVEZHUSA-N 479.571 5.068 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831858366 LSTLKUMTBPUOFO-RUZDIDTESA-N 455.602 5.416 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)c3cccs3)CC2)c1 1832146472 AGKSSYLBRYTRTL-REHUZNOOSA-N 463.647 5.412 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832562634 WLSSIGZXDIAVRK-LAUBAEHRSA-N 467.437 5.126 30 20 JKED Cc1cc(F)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832704834 WCEPJVICIYCGEH-AREMUKBSSA-N 491.607 5.340 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)CC2)cc1 1832706797 UJXDRFHVILJVSF-QHCPKHFHSA-N 487.497 5.263 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)[nH]c2c(Cl)cccc12 1832782828 JHUVYZQCMDRKBA-NRFANRHFSA-N 467.013 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)CC1 1837958995 YYFRNFITRAYIAX-UHFFFAOYSA-N 479.665 5.092 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(NC(=O)OCC)ccc23)nnc1-c1ccccc1 9447797 UVYLGVIUHJEQNE-UHFFFAOYSA-N 462.531 5.098 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2F)cc1 10133261 XKALYAUHKORDHN-QGZVFWFLSA-N 457.534 5.373 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc2c(c1)OCCO2 10179499 WPFISWWTNFMJRS-UHFFFAOYSA-O 488.416 5.665 30 20 JKED C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 10662646 KOCKRZWZESSEEL-GOSISDBHSA-N 460.917 5.063 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 10762689 MWBVVUGYIBCUMR-UHFFFAOYSA-O 470.033 6.677 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 11461064 OLDVJDIEANLFLZ-UHFFFAOYSA-N 482.565 5.308 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)nnc1-c1ccncc1 12055697 QGHCWKNQEWKIOS-UHFFFAOYSA-N 492.004 6.011 30 20 JKED COc1ccc(/C=C2\N=C(SCc3ccccc3C#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 14640238 MDXZGKZXZOXREV-UCQKPKSFSA-N 491.519 5.845 30 20 JKED C=CCn1c(SCC(=O)Nc2ccon2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 14772856 ULLBFKZABYRFSK-UHFFFAOYSA-N 482.569 5.374 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(OCc4ccccc4)cc3)NC2=O)cc1Cl 15231819 QNULLRDDTRQCJU-QFIPXVFZSA-N 479.989 5.475 30 20 JKED CC(C)Cn1c(SC[C@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccc(Cl)cc1Cl 15244658 TXPVFJFGQDVCFR-GOSISDBHSA-N 491.444 5.506 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccnc2Cl)nnc1-c1ccc(Br)cc1 16832674 ZRLGTUAXFIMFJI-GFCCVEGCSA-N 478.803 5.061 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@@H]1COc2ccccc2O1 21089140 GYVDOFYVZMPGDP-KRWDZBQOSA-N 477.373 5.014 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccccc1 21755466 YHBOANYSBWYRSY-IBGZPJMESA-N 472.614 5.432 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)O[C@@H](C)C(=O)Nc4ccccc4C#N)c23)cc1 26083580 VJDRWGFHKLSKCT-INIZCTEOSA-N 488.594 5.201 30 20 JKED COCc1c(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)oc2ccccc12 26466693 JOZRFINJMOFDIM-UHFFFAOYSA-N 463.534 5.170 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3)n2)nnc1-c1ccccc1OC 72036776 GBPFDJPPGTUGLV-UHFFFAOYSA-N 477.615 5.070 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(SC(F)F)cc1 254761974 AJADUWGGIVAOHK-IBGZPJMESA-N 491.585 5.574 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccccc1 303239043 IGKODRYNEJYHOA-AREMUKBSSA-N 490.401 5.382 30 20 JKED C=CCn1c(SCc2noc(-c3ccccc3O)n2)nc2sc(-c3ccccc3)cc2c1=O 436702726 DUQUHUZAIGVJHM-UHFFFAOYSA-N 474.567 5.359 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1 491557914 PISYUIPRMVDFFI-JOCHJYFZSA-N 462.594 5.479 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1nc2ccccc2[nH]1 499159226 VEMORZJXFULOLZ-AWEZNQCLSA-N 469.854 5.400 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccc(-c3ccccc3C)s2)C(C)C)cc1 499163433 VHNOVLDBVMZUNV-UHFFFAOYSA-N 475.614 5.015 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 500109831 NGENQBQSBOUMMN-UHFFFAOYSA-N 458.503 5.111 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1 500719860 MYSXHIKDVDCXQO-UHFFFAOYSA-N 456.999 5.328 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 502583510 BBJXKIZOSIPYAW-UHFFFAOYSA-N 486.341 5.962 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3Oc3cccc(F)c3)CC2)c1 502669564 NEWODUXTHIJHCB-UHFFFAOYSA-N 458.493 5.372 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1ccccc1Sc1ccccc1C#N)O[C@@H](C)C2 504498362 MWJFCTBFZDUQPN-JWNTYJGQSA-N 470.594 5.717 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 506396511 RFGJSJHZKBXZOV-QFIPXVFZSA-N 461.949 5.038 30 20 JKED COCCSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 507451826 RQEDCEYVSDKMSV-IRXDYDNUSA-N 457.665 5.305 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510009796 LSWMWERPSGQGBO-SANMLTNESA-N 484.003 5.607 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 510226445 DSHDEQDKBHLHIQ-MRXNPFEDSA-N 498.608 6.065 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC(C)C 511319527 LFUQOJLJQNZMNJ-FQEVSTJZSA-N 473.573 6.010 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 511466121 RYFPWXRFNZCISB-QGZVFWFLSA-N 458.518 5.101 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1Sc1nc(CN2CCCC2)nc2sc(C)c(C)c12 513123480 LRHPTUGAODCSBM-UHFFFAOYSA-N 476.675 5.423 30 20 JKED CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)cc1 514607522 DMQABTMPIHLXGZ-UHFFFAOYSA-N 485.675 5.051 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1)c1nc(-c2ccncc2)cs1 516767519 DJGFNUBXRKQARR-INIZCTEOSA-N 456.379 6.730 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3)n2)nnc1-c1cccc(C)c1 516783805 GMIXXPFZHQUBJS-UHFFFAOYSA-N 461.616 5.370 30 20 JKED CCOc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC(F)F 517416484 VTHNPEWNLINHLT-UHFFFAOYSA-N 468.525 5.781 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3)n2)nnc1-c1ccc(F)cc1 517915206 ORTJFSKTOCHQOQ-UHFFFAOYSA-N 465.579 5.200 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 518147081 WUQBKFYXTBVETN-HNNXBMFYSA-N 458.008 6.119 30 20 JKED Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n12 519414702 RDPIKNNPFHMJJN-SFHVURJKSA-N 475.643 5.933 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 520191631 KQIOCRSYQDAZLL-DPHQEEGCSA-N 481.621 5.433 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1 520497939 MPCOVASEQGXJRS-UHFFFAOYSA-N 467.573 5.947 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)N4CCc5ccccc54)CC3)cc2)cc1 520597784 FJIOTXBUKBPWHE-UHFFFAOYSA-N 466.541 5.184 30 20 JKED CCOc1c(OC)cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 522409456 CCUGBGLWXDEJAA-UHFFFAOYSA-N 477.536 5.025 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCC(C(=O)N3CCSCC3)CC2)cc1Cl 522425205 RZKQEIHJTHKFJL-XPJNUEMQSA-N 497.064 5.251 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1 522487701 HFATUUPOROBGNI-SANMLTNESA-N 469.541 5.345 30 20 JKED C[C@@H](COc1ccc(F)cc1F)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523879875 HUZFDQTXOMRJIO-KRWDZBQOSA-N 453.464 5.155 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)cc1 524379544 KHHWMZULFNTMKB-UHFFFAOYSA-N 481.508 5.634 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524422542 SXVKMMCKERPJJP-UHFFFAOYSA-N 483.597 5.320 30 20 JKED CC(C)COc1ccccc1CNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 583827703 UGMZDBFFUPTWJV-UHFFFAOYSA-N 491.975 5.080 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCO[C@@H](c2ccccc2F)C1 589523897 LZZWMAXWNIFAJZ-GOSISDBHSA-N 487.375 5.263 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1 589798247 HUJIHELIYUIJTM-UHFFFAOYSA-N 480.568 5.091 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 590996708 PQMYJDPPHWKWHJ-ZDUSSCGKSA-N 464.925 5.094 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3C(=O)c3ccc(Br)cc3)CC2)c1 591257438 RAFBCINZJLWWSV-UHFFFAOYSA-N 489.369 5.235 30 20 JKED C=CCN(C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 596354440 LVXINXAUJSXWTM-HXUWFJFHSA-N 481.560 5.004 30 20 JKED CCOc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1OCC 603458820 BRMOJUMRLRUWOX-UHFFFAOYSA-N 475.570 5.339 30 20 JKED O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603573157 VACHKASRKUNJJH-GDNZZTSVSA-N 495.342 5.441 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 603638600 KJGOVZHVXRBEOY-UHFFFAOYSA-N 459.571 5.006 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3cccc(NC(=O)c4ccc(F)cc4)c3)s2)cc1 604083144 KXXCOCCMDVKCTF-UHFFFAOYSA-N 485.544 5.319 30 20 JKED COc1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)cc1 604162964 NEDGJSXONWZKRD-UHFFFAOYSA-N 475.932 5.142 30 20 JKED Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)N(C)c2cccc(C#N)c2)c1 604440260 FYAWVTRAFXYYPY-UHFFFAOYSA-N 461.587 5.242 30 20 JKED C=CCN(C(=O)c1ccc(C)c(I)c1)c1nc(-c2ccccc2)cs1 609054699 ATGVAOHIDLBREI-UHFFFAOYSA-N 460.340 5.556 30 20 JKED COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)CC2 609080543 NKVOESVXTOKAIV-UHFFFAOYSA-N 477.948 5.398 30 20 JKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 609185129 OFPZLUURQKPOHV-UHFFFAOYSA-N 478.552 5.103 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 609370840 BAOATRYXAXADHR-MRXNPFEDSA-N 460.584 5.158 30 20 JKED COc1cc(I)c(Cl)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 609378141 SLLAHVQFSLFKDS-NSHDSACASA-N 486.762 5.457 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 609378766 ONIRCESWSDWRJM-UHFFFAOYSA-N 454.349 5.894 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)cc1 609400317 YHWTTXCDAILUJK-CYFREDJKSA-N 451.636 5.589 30 20 JKED CC(C)(C)Oc1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609403591 IPHJSADAHXKGOH-UHFFFAOYSA-N 479.524 5.143 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2ccc(F)cc2Cl)cc1 609405550 WVTYEHWDXQYFJS-NRFANRHFSA-N 487.865 5.105 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433861 OCSXRNMWUVYVCB-UHFFFAOYSA-N 493.361 5.572 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 609436653 SPWSEGKSJWWATA-SFHVURJKSA-N 477.561 5.054 30 20 JKED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)C1 613403410 OEDSOZGVGJCSKF-SPYBWZPUSA-N 488.034 5.106 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1OC 617994999 YBGRIQYXAOVCQR-CVEARBPZSA-N 456.999 5.151 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618304127 TYRJEGKXROOBAF-BETUJISGSA-N 454.411 5.384 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 635830250 VVRXKXXYRDGPNO-KRWDZBQOSA-N 485.009 5.141 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCc3sccc3C2)C(C)C)nnc1-c1ccc(Cl)cc1 639428738 ZQXBAKMABYNYLB-FQEVSTJZSA-N 473.067 5.548 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC[C@H](C)OC 726391851 BZDKQBVDOVGRFS-UUOWRZLLSA-N 491.613 5.234 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1C[C@@H]1CCCO1)c1cccs1 726416933 VHCNRXAJZQQXGX-JFRAIDOFSA-N 496.029 5.109 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CC1CCC1)c1cccs1 726419911 GVMVLRYFNAWPKU-KHANYUJCSA-N 463.575 5.216 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@@H](C)c3ccccn3)C2=O)c1 726421599 OFDODMRZOQLYRJ-VYXFWJRRSA-N 492.670 5.911 30 20 JKED CCc1c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)[nH]c(C)c1C(C)=O 726570993 PTLVPBNXBAYASC-UHFFFAOYSA-O 480.013 5.532 30 20 JKED CC(=O)N1c2ccccc2C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 726731524 KTXZCRVZTOZGCY-JXFKEZNVSA-N 456.354 5.271 30 20 JKED CC(=NNc1ccc(Br)cn1)c1ccc(OCC(=O)Nc2ccccc2C)cc1 727266002 FNCXMPFCHDCSBT-UHFFFAOYSA-N 453.340 5.006 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1=S 727430868 FUCPWLCIMKNHIH-HSZRJFAPSA-N 494.064 5.634 30 20 JKED CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 727999601 RRXFMYLJKDBJOW-UHFFFAOYSA-N 475.353 5.100 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)C[C@H](c2ccccc2)C(F)(F)F)n(C2CCCC2)c1C 728654273 VKLRFHHNGXRCFK-HXUWFJFHSA-N 461.484 5.310 30 20 JKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1 728982153 UDIPOTSKHYENFL-AZZGVMCLSA-N 483.568 5.038 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CCC(Oc5cccc(C#N)c5)CC4)cc3)ccc12 729416730 YJRAMHXAPACSOL-UHFFFAOYSA-N 494.547 5.236 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(C)cc2)cc1 729668842 PYDPPDRBHDIZBT-UHFFFAOYSA-O 465.595 5.617 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccccn3)C2=O)cc1 730537446 RHFVNCOFYMQWIN-QHCPKHFHSA-N 492.576 5.088 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)ccc1F 730633093 WUAFXYPXPKWPQW-UHFFFAOYSA-N 465.481 5.081 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1cocn1)c1cccs1 730729461 MQEJREPYFHRMHC-FMBXWJSJSA-N 492.985 5.119 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)c3cccnc3)C2=O)c1 730944921 ICNSFYDOLMAXKH-YADARESESA-N 483.597 5.292 30 20 JKED COCCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2cc(Cl)ccc21 730951283 FKDUXCUAFIUJCJ-HNNXBMFYSA-N 475.039 5.319 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 730952003 JWNCHDNRFBDIQR-CYBMUJFWSA-N 493.104 6.442 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1[C@H](C)c1ccccc1 731068480 ACSNHQUSTIQPBK-VQTJNVASSA-N 475.614 5.904 30 20 JKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731077731 OHEFOVJEBUZVCK-INIZCTEOSA-N 483.977 5.187 30 20 JKED C=CCN(C(=O)COC(=O)c1cccnc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 731094948 MJSYQQAQIJLTHT-UHFFFAOYSA-N 462.358 5.196 30 20 JKED COc1cc(C(=O)/C=C\c2cn(C(C)(C)C)nc2-c2ccccc2Cl)ccc1S(C)(=O)=O 731158672 GGOSGBSZZJVQMG-BENRWUELSA-N 472.994 5.267 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731305496 DOGHNGVRGQRBJI-DNQXCXABSA-N 471.582 5.348 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cc(C)ccc1F 743525195 OSNPJFJYTSIIFS-SFHVURJKSA-N 497.564 5.056 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)ccc1OC(F)F 744807289 ULFLCQWFVZUOIQ-UHFFFAOYSA-N 462.522 5.152 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1F 745583510 HVEYSOSHJADOHI-QFIPXVFZSA-N 494.498 5.136 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1 746596559 WKKIEUWNTXZWBQ-UHFFFAOYSA-N 477.586 5.238 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2ccc(SC)c(OC)c2)c1=S 746715673 XCRQPOLSLTXQJV-UHFFFAOYSA-N 456.637 5.096 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cscn1 747601306 GBNXQQAMHZETIN-HXUWFJFHSA-N 499.061 5.882 30 20 JKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 748257532 UXJOMYGEZFWMQV-HSZRJFAPSA-N 463.647 5.399 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 750823497 WOTKQHBRALVGJK-UHFFFAOYSA-N 488.887 5.129 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(Oc2ccccc2)cc1 750909257 FVSNVPKZDOFCON-RUZDIDTESA-N 496.592 5.151 30 20 JKED CC(=O)N(c1nc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cs1)c1ccc(F)cc1F 818245877 SZFSGBYLHHLBRA-KKYJLSSQSA-N 481.480 5.844 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 837549874 NUTCCIMZTCMHRL-KBMIEXCESA-N 480.593 5.956 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3ccccn3)C2=O)c1 837778909 JYAFUVAWHFIWPU-WZONZLPQSA-N 476.577 5.559 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@H](c2ccccc2)C2CC2)C1=O 914553516 CONXHFSRDDHGSE-AZUAARDMSA-N 462.402 5.212 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086015 GRYDPLVLECPKNA-QFIPXVFZSA-N 475.379 6.454 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1C 916206895 AKISTISZONWXKS-QFIPXVFZSA-N 480.540 5.137 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccco2)C1=O 916212687 PUIKJXXSZUJZKT-NRFANRHFSA-N 483.977 5.411 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1c(C)cccc1C 916217718 VQUFDITUWYFORA-GOSISDBHSA-N 461.509 5.469 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc(Cl)c1OC 916334043 ZWBVDPWJIFDSPH-UHFFFAOYSA-N 457.770 5.484 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)[C@H]1c1ccc(OC)cc1 916848963 QMDDOWFBCLAODP-VMODYCNZSA-N 455.558 5.200 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCCc1nc2ccccc2s1 916901809 RAEKVNOFHVOQAO-OAHLLOKOSA-N 455.967 5.327 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908055 KYWSQJAGNRZXEF-GOSISDBHSA-N 485.521 5.655 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1ccc(Br)cc1 916945237 TUMDZRVUBCALIO-QGZVFWFLSA-N 492.160 5.211 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)CC1=O 917040253 IXJYNIOCIYWIRI-JZXOWHBKSA-N 450.489 5.174 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917046654 MBDPHOQWKXMHJF-INIZCTEOSA-N 454.964 5.113 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccsc3)C2=O)cc1 917664738 OCYPRASZGCJEGE-JOCHJYFZSA-N 477.611 5.420 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccnc(C)n2)c1 917667949 MNYOPEYRNXGSQT-VWLOTQADSA-N 495.608 5.407 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CC(F)(F)F)C2=O)cc1 917701017 PTXYFIFCGIKIQX-HXUWFJFHSA-N 471.504 5.671 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c12 919195567 HFGLXCYLEAWYSH-KRWDZBQOSA-N 491.567 5.003 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 920110855 WYGFOJXWEKNTGJ-BMIGLBTASA-N 485.154 5.001 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC2)C1=O 920168347 LIJZBLAUFOCZDE-GOSISDBHSA-N 492.384 5.123 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](C)c1cc2ccccc2o1 920195819 UTXBDZOFAFIVPN-CPJSRVTESA-N 465.553 6.027 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc(-c2ccncc2)cs1 920269445 VXZWJJNKXILVRJ-QGZVFWFLSA-N 470.501 5.766 30 20 JKED C[C@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F 920839526 QOKSQPAJBMBNHT-AWEZNQCLSA-N 480.431 5.035 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1C 920893740 YNPZOMQBKYIJID-SFHVURJKSA-N 464.953 5.226 30 20 JKED COc1ccc(OCc2ccccn2)c(C=NNc2nc(C(F)(F)F)nc3ccccc23)c1 921256098 LJGWGMVOEWSNJX-UHFFFAOYSA-N 453.424 5.077 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4noc5ccc(Br)cc45)CCC3)cc2)C1 1785810246 GRKALZPNMLICQQ-UHFFFAOYSA-N 480.362 5.304 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786697240 SJCSERMQCQUKPB-IBGZPJMESA-N 486.012 5.434 30 20 JKED CCc1[nH]nc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)c1F 1787189417 RTYAJMPTOWSICT-UHFFFAOYSA-N 499.468 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C[C@@H]21 1788737751 RJTKCLGEKKFOJR-QOKNQOGYSA-N 487.855 5.233 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(=O)c4ccccc4o3)CCC2)cc1 1789449411 QEMSWNBETNAGSD-OAQYLSRUSA-N 456.542 5.309 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1789496201 LZWCSARTDOXVOZ-VWLOTQADSA-N 469.585 5.069 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1 1789577040 NWFCGPKCBCTQMO-AMVVHIIESA-N 487.453 5.304 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)no4)cc3)CCC2)c1 1789782119 LFUVZUNXLFRHCQ-UHFFFAOYSA-N 492.535 5.283 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1790510355 KUUQTOYOHQOROM-UHFFFAOYSA-N 499.007 5.143 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4c(F)ccc(F)c4F)CCC3)cc2)cc1 1790705448 YEUJEWKPZWBYIW-UHFFFAOYSA-N 477.486 5.160 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C(F)(F)F)cn3)CCC2)cc1 1791299075 OXRYJQKYIWLPLB-UHFFFAOYSA-N 481.465 5.379 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c(OC)c1 1792125395 YHUMYXUJABDTLU-LJQANCHMSA-N 483.568 5.392 30 20 JKED Cc1nccn1CCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126254 CPMWRMXRAUXPLS-FQEVSTJZSA-N 469.589 5.047 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c(F)ccc(Cl)c3F)cc2)CCC1 1792155759 BVYNYFWNQMJESI-UHFFFAOYSA-N 450.938 5.285 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc2ncccc12)c1ccc(C#Cc2ccccc2)cc1 1793549018 LGAGRMOEWODEJF-PKQPGRETSA-N 499.614 5.129 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccc(O)cc1 1797878176 JEDFHIOIWRABNK-JGDBTYLISA-N 476.661 5.134 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(Cl)cc2c1)c1ccccc1 1800934781 MVFXALAHMNUSTD-QYOOZWMWSA-N 486.015 5.337 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cc(C)cs2)[C@H]1c1cccnc1 1804528501 ZKLUIELQFWLJCG-ZJSXRUAMSA-N 453.652 5.083 30 20 JKED CCCCCc1ncc(C(=O)N2CCC3(CCCN(C(=O)CCc4ccc(C#N)cc4)C3)CC2)s1 1804762360 PJEGRYDVSISLHQ-UHFFFAOYSA-N 492.689 5.225 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3cccc(Br)c3F)C2)CC1 1805654588 DMDPOEYWGFEUMS-HXUWFJFHSA-N 491.445 5.130 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2C)[C@@H]1c1cccnc1 1807848229 XZYOLXWOMAICFI-SVEHJYQDSA-N 494.639 5.540 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1809549258 OSGVMBWEOOUTAR-RCOXAODPSA-N 478.036 5.313 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1810271403 FTLZPGDHIHTFLE-YIXXDRMTSA-N 487.676 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1810494897 MZFHXVTXAYQTGE-WIOPSUGQSA-N 468.041 5.366 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811270685 DCJNPCLDNDPBCW-IAPPQJPRSA-N 498.671 5.801 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc(F)cc2)[C@H]1c1cccnc1 1811550501 HAUMRKJGJDDDCE-KSCKTEMCSA-N 498.602 5.371 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1812670421 KYHMXRSZVOLGQP-LAUBAEHRSA-N 473.907 5.012 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)s1 1813369802 AVLFIRUNSAYZNW-OQUVSYRVSA-N 491.016 5.010 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1813839258 XDISDQMCBOLVDJ-GJZUVCINSA-N 496.127 5.414 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)[nH]n2)C1 1814395130 HUXZSTZSJUXQLV-HXUWFJFHSA-N 471.483 5.182 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1815207243 ZCKFILWLCYJFDF-HXUWFJFHSA-N 495.546 5.100 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)n[nH]2)cc1 1815536386 YUCOHSNFNZVOKS-FQTAANOTSA-N 493.489 5.319 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cn(-c4ccccc4)c4ncccc34)n[nH]2)C1 1817795835 GSWQSAFJZYSPPI-XMMPIXPASA-N 480.572 5.021 30 20 JKED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4c(Cl)cccc4s3)sc2C1 1818572254 UEEJIWHDXIZTDD-CQSZACIVSA-N 490.050 5.220 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)[nH]n1 1819305758 OMUJDZJVGBOVKZ-NFBKMPQASA-N 489.576 5.148 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1819385451 UMJDIVRTIVYJNA-QHCPKHFHSA-N 493.659 5.387 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820219957 AGOWZRDARJGOHE-PXNSSMCTSA-N 451.958 5.009 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n[nH]1 1821002605 DVKGGEVRBOLGGJ-VWLOTQADSA-N 497.599 5.162 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821610381 AXFWLLCWPMDTSH-HTAPYJJXSA-N 456.546 5.827 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@@H](C)c3ccccc3)n[nH]2)c1 1822044819 OWILTHAUZMVKLX-FHAGJXEFSA-N 469.589 5.536 30 20 JKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(OC)c3)[nH]n2)CC1 1822101778 XGAOARGNAKYDLD-DRMXPCRNSA-N 477.609 5.202 30 20 JKED CC(C)(C)CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1822116273 RHWYGTBJKAUHKZ-QHCPKHFHSA-N 463.626 5.778 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCC2)[nH]n1 1822396718 YYDAICPFDSVATC-NRFANRHFSA-N 497.437 5.090 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)cc1 1823682930 MZVBQIFZJHLSAB-QHCPKHFHSA-N 499.442 5.126 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2OC)CC1 1823753430 OTSYSLMLUYDXIC-NRFANRHFSA-N 462.581 5.199 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)CC3)c[nH]c2c1 1823814870 SZBQPGZVJIBJGY-KSGUIJNZSA-N 494.639 5.224 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)CC1 1824442996 LQNBENGLIJJGTE-JOCHJYFZSA-N 478.649 5.669 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)c1 1824539010 KVFNFWBKVIDWMU-AZGAKELHSA-N 479.690 5.245 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)CC1 1826682479 VVNQGAHMACEYBF-HSZRJFAPSA-N 486.641 5.433 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166213 KTIKTDGZABECBZ-WMLDXEAASA-N 451.057 5.106 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4nc(C)ccc4c3)CC2)c1 1828235348 PRQNBEJFUUCUJR-MUUNZHRXSA-N 480.612 5.270 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1828342713 PAHNGMNKXHJIHB-XMMPIXPASA-N 496.076 5.546 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1828903383 GLLBRWHDMHTHOR-MHZLTWQESA-N 491.752 5.162 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)cc1 1829180692 MDZPOTUXUWVNSO-QFIPXVFZSA-N 499.442 5.126 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1829670863 BMIGNRLBAKOYNU-HHHXNRCGSA-N 486.591 5.045 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)c1 1829954679 KJTUULCPTWUHBL-HHHXNRCGSA-N 478.596 5.167 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)c[nH]c2c1 1829959523 QUUMXFRXKNUVQY-NURAEYDSSA-N 480.612 5.295 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1 1830007709 WJPJVCPLQFFAED-DQEYMECFSA-N 497.680 5.006 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)Cc4ccc(F)c(C#N)c4)CC3)ccc2c1 1830360275 BOZKOZGLBHQAMS-MUUNZHRXSA-N 498.602 5.030 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3F)CC2)cc1 1830441080 MWIRZPQZUBXLEL-MHZLTWQESA-N 489.591 5.033 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Br)c3CC)CC2)C1 1830687441 VROJWNFUEJKLPW-QHCPKHFHSA-N 473.455 5.211 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cc(OC)cc2C)CC1 1830695155 KMHWCMOIGJNSEB-DQEYMECFSA-N 452.639 5.314 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(Cl)c1 1830723038 VBWUMOQQKRSOBY-JOCHJYFZSA-N 488.390 5.551 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCC3)CC2)cc(C(F)(F)F)c1 1830755197 GVLYXTLTEHPCHP-JOCHJYFZSA-N 461.528 5.001 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1831444870 XIXUSRGJWXUYOL-ZXEGGCGDSA-N 455.549 5.012 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1831744739 FWQJCMOZLDDGCD-HHHXNRCGSA-N 489.685 5.424 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1 1832566971 VFGIUOQPORKZTF-JWQCQUIFSA-N 497.680 5.006 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(Br)c3ccccc13)C2 1844202331 CGJJMNGSSYDFAG-SFHVURJKSA-N 467.407 5.188 30 20 JKED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CCC[C@@H]4CCCC[C@@H]42)C3)cc(C(F)(F)F)c1 1845513498 SWXZGXAHZGMNAM-YUXAGFNASA-N 473.539 5.001 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10763947 BGHGOOMLWZHBOF-UHFFFAOYSA-O 457.978 5.779 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(N(C)C)cc2)c(C)s1 11077965 NPJWFBYUWXGXQX-UHFFFAOYSA-O 479.478 6.076 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccc(Cl)cc1Cl 15247866 RRMKSAUDGWPNCZ-UHFFFAOYSA-O 471.216 6.639 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(Cl)cc1 21673327 JHUBOXSFADMXRP-LBPRGKRZSA-N 451.354 5.696 30 20 JKED N#CCCN(C(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)c1ccccc1 22180892 WZPFAWPSSCKJLR-UHFFFAOYSA-N 479.509 5.219 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1cccc(Cl)c1 22730560 YSMUJYBRKBDBCH-UHFFFAOYSA-O 474.831 6.003 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)s1 22790953 XQTMTJMPYUJDCO-UHFFFAOYSA-O 471.671 5.706 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)NCCc1ccc(OC)cc1 22802821 ZTTXOKVQQGQEPR-UHFFFAOYSA-O 461.651 5.440 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1cccc(Br)c1 23604652 USZOTLHYVAWDAI-UHFFFAOYSA-O 457.417 5.295 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 24498058 MZGKCEGPSZPRFL-UHFFFAOYSA-N 452.841 5.511 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)cc1 25149364 HYOVNOYJLBSZOG-QHCPKHFHSA-N 459.619 5.278 30 20 JKED COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(C(C)(C)C#N)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 25841086 SIWKSVRYCQLBNB-XCZPVHLTSA-N 497.595 5.628 30 20 JKED N#C[C@H](C(=O)CSc1nnc(NCc2ccccc2)s1)c1nc(-c2ccccc2)cs1 26016972 CSNBIPAGHYITNG-QGZVFWFLSA-N 463.613 5.242 30 20 JKED C=CCn1c(SCc2cc(Br)ccc2OC)nnc1[C@H]1COc2ccccc2O1 27128677 NUNLUDBPZVFIQW-LJQANCHMSA-N 474.380 5.040 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1cccnc1SCc1cccc(Br)c1 32162893 HAYMKTQTEZEYEJ-UHFFFAOYSA-N 452.377 5.280 30 20 JKED C=CCn1c(SCC(=O)c2sc3ccccc3c2C)nnc1[C@H]1COc2ccccc2O1 32177318 USGAGOJWAAIMLM-HXUWFJFHSA-N 463.584 5.475 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 32785236 QAZZLYFSLGTADQ-UHFFFAOYSA-N 475.639 5.488 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 32787621 HGWOMGUPOZCEML-QGZVFWFLSA-N 485.638 5.873 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1Cl 108270523 UEAFRGMFJOBADZ-QFIPXVFZSA-N 455.901 6.093 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)s2)cc1 195694558 IEFZUHIVUWYLLQ-UHFFFAOYSA-N 497.403 5.107 30 20 JKED CN(C)[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 303123884 ASBDDUDSNATENZ-FQEVSTJZSA-N 454.983 5.277 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](CN3CCC(C)CC3)C2)cc1 303219729 UXUTXDLADXEZGJ-JOCHJYFZSA-N 462.594 5.335 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)Nc4ccccc4SC[C@H](C)C#N)c3)cn2c1 303277697 JFMKQSSNMLMCMU-LJQANCHMSA-N 456.571 5.726 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)cc2)c1 409764735 JFEOPHSKTPWAPR-UHFFFAOYSA-N 482.561 5.363 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 409928508 XJJBIZZNPJEXBX-UHFFFAOYSA-N 452.717 5.350 30 20 JKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483465952 PVFGWERHDYOJCA-UHFFFAOYSA-N 453.542 5.783 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)c1 485992136 UOMWOEHACJPWRO-DEOSSOPVSA-N 482.584 5.523 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)cc1 499429364 BUOWMYBAODWZRN-UHFFFAOYSA-N 498.586 5.641 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1C 501562010 UDSCSBVIRMIMOL-UHFFFAOYSA-N 467.904 5.057 30 20 JKED O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 502387685 BZQHAFOHBZZMTE-HNNXBMFYSA-N 451.338 5.673 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1COCc1ccccc1 502662350 UQHXQEBZONOBQS-UHFFFAOYSA-N 483.381 6.525 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 508360777 QQPYJIXTRUIOTE-RUZDIDTESA-N 484.987 6.747 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 510344737 DKJNVSLXAXAQAZ-HXUWFJFHSA-N 489.984 5.998 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512977101 GGHCUTISOQMQIC-UHFFFAOYSA-N 489.003 6.390 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC(=O)Nc2cccc3ccccc23)cc1 513982847 IVJYTAMFSVZWLM-UHFFFAOYSA-N 464.525 5.245 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)n2)cc1 516270424 XYWHAKYBWKJCNV-GOSISDBHSA-N 471.492 5.124 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1Cl 519107138 SUXJZWFHZXCXLM-GCJKJVERSA-N 482.392 6.090 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cccs2)cc1 519440607 ODGVFQVQFQOJFC-HOYKHHGWSA-N 477.655 5.968 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 519870392 KOWUDTHJHVYHPO-UHFFFAOYSA-N 458.949 5.708 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCOCC1 520195887 PIORCPPQSBSWIZ-KRWDZBQOSA-N 474.026 5.613 30 20 JKED N#C[C@H](NC(=O)CCc1nc(-c2cc(Br)cs2)no1)c1cccc(Cl)c1Cl 520889543 LUMLFJQSOJFSQK-LBPRGKRZSA-N 486.178 5.181 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 521089610 IUAXNFUZCOKJLN-UHFFFAOYSA-N 497.477 5.160 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3nc4cc(Cl)ccc4s3)c2)c1 521283304 NHJMCRSNAMFJIB-UHFFFAOYSA-N 461.934 5.395 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 521453302 PWQOPNVAVFVQSO-IZZNHLLZSA-N 459.521 5.513 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 521513491 XWWNDBAZEOAAIK-NRFANRHFSA-N 485.893 5.611 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)no1 524386326 WPVZVVHMNYUZAW-UHFFFAOYSA-N 456.527 5.373 30 20 JKED C=CCn1c(SCC(=O)Nc2nccn2CC(C)C)nnc1-c1ccc(Cl)cc1Cl 588111962 RWZKHRJRTNJYQG-UHFFFAOYSA-N 465.410 5.021 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1cccc2ncccc12 596533204 ACNFSOBBAAWQQE-HNNXBMFYSA-N 478.459 5.243 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 603784276 JAYWMTCWYHQLQZ-UHFFFAOYSA-N 462.347 5.755 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)c2)c1 603995658 SLQXROGTPOIHEF-UHFFFAOYSA-N 477.549 5.368 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3cccs3)cc2Cl)cc1 604160133 WUMNTRHTYJPGPM-IBGZPJMESA-N 451.935 5.368 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C 604450583 GGHXXMOMQYHWMA-IRXDYDNUSA-N 486.460 5.720 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2F)c1 604541396 UVPVSDWWQHLQLW-VEYWIMSWSA-N 467.516 5.059 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCC3(c4ccc(Cl)cc4)CCCCC3)cn2)c1 608796589 CQWYUHUPNKHBAA-UHFFFAOYSA-N 488.975 5.356 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1occc1COc1cccc(C#N)c1 608806667 CVGHQSHQGMQVCS-UHFFFAOYSA-N 472.472 5.709 30 20 JKED N#CCCCOc1cccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)c1 608860996 HGWQUNFHFRLFFP-DEOSSOPVSA-N 453.355 6.150 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3-c3n[nH]c(-c4ccccc4)n3)o2)cc1 609071746 XXFRHZXNYSJNOS-UHFFFAOYSA-N 461.481 5.435 30 20 JKED COc1cc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1OCc1ccccc1 609081373 LSMQCLCPVQZIIP-UHFFFAOYSA-N 453.445 5.069 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3cc(C#N)ccc3OC(F)F)c2)c1 609082193 DDXUIUFQZRVUJK-UHFFFAOYSA-N 465.460 5.434 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N(CCc3ccccn3)Cc3ccc(F)cc3)c2)cc1 609209768 LMJQNKFUJKZYRQ-UHFFFAOYSA-N 466.516 6.161 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 609414195 STDGYGHEFSZYCC-KRWDZBQOSA-N 451.151 5.469 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 611829253 QLHPCOZFLVETEV-STQMWFEESA-N 495.464 5.952 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1OC 617993999 CBFONNZKSUBYNF-ROUUACIJSA-N 450.608 5.060 30 20 JKED O=C(Nc1cccc(CNC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1)c1ccc(F)cc1 618506475 VHYNJPZDIMMLTN-HZPDHXFCSA-N 491.407 5.350 30 20 JKED CC[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 642911879 CXXYNKZGLOIUQO-SFTQSGBHSA-N 462.381 5.948 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nnc1-c1ccncc1 645072426 QKAVKHNLJNUJEV-UHFFFAOYSA-N 483.022 5.613 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2c(F)cccc2Cl)cn1 726109803 DFANMRDLLRWJSF-NRFANRHFSA-N 499.999 5.164 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccsc2)cn1 726111165 JKJDYTISTQYSKC-QFIPXVFZSA-N 489.626 5.278 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726300168 MZQNYNGWWLGMKI-AOMKIAJQSA-N 466.368 5.335 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc(-c2ccc(Cl)cc2)cs1 726322404 UBDISPJYPNCLGT-QGZVFWFLSA-N 474.929 6.069 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc2cc(Cl)ccc2s1 726322809 OBBHFXMPUWNHFV-KVZIAJEVSA-N 458.027 5.771 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1F 726411491 MRGGYQDNTBGXGX-IVZQSRNASA-N 496.539 5.090 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(Br)cc1 726572358 ZSVRGFAOURLUOB-UHFFFAOYSA-O 499.841 6.147 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726696797 VAXVRALIIQMAGC-VWLOTQADSA-N 476.527 5.734 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1Cl 726890881 MEHQRZXMPBLRIE-HXUWFJFHSA-N 486.018 5.571 30 20 JKED O=S(=O)(Nc1ccccc1SC(F)(F)F)c1cccc(COCC(F)(F)C(F)F)c1 727797091 LABRETIJCRJIHA-UHFFFAOYSA-N 477.423 5.516 30 20 JKED N#Cc1cccc(COc2ccc(NC(=S)NC3CCN(Cc4ccccc4)CC3)cc2F)c1 728175158 KPUWQHKYQZKWGY-UHFFFAOYSA-N 474.605 5.227 30 20 JKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 728412854 FCVDOSALFWQSTG-YADARESESA-N 463.562 5.916 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 728776416 BNXHRCCDHGYMAE-LJQANCHMSA-N 492.498 5.499 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)cc1F 729145338 KJTPLNKLVKFQDL-LJQANCHMSA-N 468.579 5.060 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 729318794 DBDOHTAADOVLIN-JOCHJYFZSA-N 485.996 6.586 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730715846 QOOMHCHGOKXQTA-JOCHJYFZSA-N 490.972 5.642 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCOCC3CC3)C2=O)c1 730944521 XOHKFUOQZZCWTB-JOCHJYFZSA-N 486.037 5.344 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731313166 UBRAPNLCVBFXDP-BVZFJXPGSA-N 496.592 5.662 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 742495401 DAKCAGASTYRAJK-SANMLTNESA-N 489.616 5.389 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc([C@@H](C)N2CCCCC2)n(-c2ccccc2)c1=S 745162490 OLFABLZAJGDHBI-JOCHJYFZSA-N 472.662 5.468 30 20 JKED CCc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1c(Cl)cccc1Cl 749047785 HWNCTUBMXZFFPZ-NSHDSACASA-N 497.169 5.404 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1)c1ccccc1 749190599 KQEGKJHUVZFHEC-WUFINQPMSA-N 480.612 5.648 30 20 JKED Cc1cc(S[C@H](C)C(=O)OCc2noc(-c3cccs3)n2)n2c(nc3ccccc32)c1C#N 753599998 BJQWAMKOKAHIHW-CQSZACIVSA-N 475.555 5.003 30 20 JKED C[C@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 813319493 IXNSJSMYVGLBLY-HNNXBMFYSA-N 456.889 5.006 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N([C@@H](C)c2ccccn2)C1=O 837381837 PGVYOPXASZUNJT-MBSDFSHPSA-N 474.586 5.120 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(C3CCN(C4CC4)CC3)C2=O)cc1 837406125 ZZGPMLIAMJUXIK-RUZDIDTESA-N 490.673 5.199 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1F 838570628 GSYUFKOWIPDFCE-INIZCTEOSA-N 470.328 5.418 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 914543167 MCEWSEDZAMGHIU-CJFMBICVSA-N 486.641 5.604 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)CC1 914957391 SWTZJTPHPIRGGP-UHFFFAOYSA-N 481.508 5.116 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 915085092 FZQDHCMDBCWUKB-LJQANCHMSA-N 464.422 5.938 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103827 GIJPHAZQAOPWJQ-HOTGVXAUSA-N 477.533 5.043 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(Oc3ccccc3)c2)cc1 915781657 HSAGYYQTNJRPBI-HHHXNRCGSA-N 461.521 5.389 30 20 JKED N#Cc1cccc(COc2cccc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)c2)c1 915945736 YJJKIVCDKUDKRL-UHFFFAOYSA-N 475.577 5.644 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CC2)C1=O 916213312 CWOOSPVDUHDAEG-SFHVURJKSA-N 464.374 5.125 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCC(C)C)cc1 916215666 XCQPHPJTBDFZEL-QFIPXVFZSA-N 469.607 5.100 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)n2)cc1 916974032 DRNZPGYPJKROKX-NQIIRXRSSA-N 484.408 5.906 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)[C@H]1c1ccccc1OC 917047272 VHBCWHXEZCXUPV-AXHZCLLHSA-N 496.032 5.915 30 20 JKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c2ccccc12 917560007 PPORFEDWNIMXEA-UKTHLTGXSA-N 462.958 6.539 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 917635391 KEWVQXNMUUBWDN-CQSZACIVSA-N 462.280 5.260 30 20 JKED Cc1sc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(C(N)=O)c1-c1ccccc1 917641770 IIEVCCZDKOSNKR-UHFFFAOYSA-N 457.511 5.118 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1cccc(C)n1 917686895 FZHBADWLPLRJEI-DEOSSOPVSA-N 488.613 5.122 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 917699953 FVLHXQATTFSDDJ-HXUWFJFHSA-N 487.503 5.006 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1C#N 917704107 FLZARQKRKQGAKM-FQEVSTJZSA-N 499.980 5.270 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 920108947 LIWAUHJLSJQEEJ-MLGOLLRUSA-N 452.860 5.517 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OCC(F)(F)F)cc1 920321449 KESBMAWEEPHJAG-UZUQRXQVSA-N 481.474 5.099 30 20 JKED C=CCN(C(=O)COC(=O)C1(C#N)CCCCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 920673324 JIBJPKGOYYZETE-UHFFFAOYSA-N 478.401 5.653 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1C 920894659 UPPPIJPEWUNRMI-UHFFFAOYSA-N 471.344 5.183 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H](C)COCC(F)(F)F)C2=O)cc1 921254710 ZTAMAMIXPVVBTQ-XLIONFOSSA-N 493.551 5.231 30 20 JKED N#Cc1ccc(-n2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)nc3O)n2)c(Cl)c1 1536592440 PDLIRXMTWOQZMQ-UHFFFAOYSA-N 450.285 5.071 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C(F)(F)F)cn4)cc3)CCC2)C1 1786873668 UOIWJMYUSZZNLK-UHFFFAOYSA-N 457.496 5.133 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cn3)cc2)CCC1 1786876499 POIWGWNDZGVNKW-QGZVFWFLSA-N 459.512 5.379 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c(F)ccnc4Cl)cc3)CCC2)cc1 1786990919 RYIIXLZFCGWVBX-UHFFFAOYSA-N 462.912 5.002 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccccc4O)cc3)CCC2)cc1C#N 1787199714 QTQCJWPPXLROQE-UHFFFAOYSA-N 469.541 5.113 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)CCC2)cc1 1787885988 ZZFQRAFOQNXBPB-UHFFFAOYSA-N 474.564 5.953 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CNc4ccccc43)cc2)CCC1)c1ccc(O)cc1 1788048464 JAIIARGYKYRMHH-AMGIVPHBSA-N 493.607 5.233 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CC[C@H]3CNc4ccccc4C3)cc2)CCC1 1788066497 JOHMOUPRBYEADQ-JOCHJYFZSA-N 475.633 5.168 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3sc4nccnc4c3N)cc2)CCC1 1788113083 SKJVQGSLXDTOPO-UHFFFAOYSA-N 463.607 5.014 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312524 LDMIXDYRJXJPRI-UHFFFAOYSA-N 452.967 5.247 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cc2)CCC1 1788394865 VEFONGNOJLWTQR-FQEVSTJZSA-N 492.579 5.016 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(F)c4s3)cc2)CCC1 1788983462 URAOSHFYTAZWOW-UHFFFAOYSA-N 480.561 5.298 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(C(F)(F)F)ccc5[nH]4)cc3)CCC2)C1 1789230010 LEANNGHNQLINQC-UHFFFAOYSA-N 467.491 5.901 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccncc4-c4ccccc4)cc3)CCC2)CCC1 1789937766 CWVAKUURWAYZDP-UHFFFAOYSA-N 450.542 5.190 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)cc4F)CCC3)cc2)c1 1790148198 DPVDAPOUAHWOJX-UHFFFAOYSA-N 470.426 5.106 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CCC1 1790740893 RSKUOBWMWXNSAY-FQEVSTJZSA-N 492.579 5.016 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4OCCc5ccccc54)CCC3)cc2)c1 1790761799 BTILAZRTWGKCEY-SANMLTNESA-N 483.543 5.149 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)nc1C 1790763857 BIEFFGRBXCJIIC-UHFFFAOYSA-N 458.949 5.285 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4sc(C)cc4[nH]3)cc2)CCC1 1790876372 PTOGSEVESDSVTF-UHFFFAOYSA-N 451.592 5.268 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CCC2)cc1)C(F)(F)F 1791302530 PEJLKTAMGGXGSQ-QZTJIDSGSA-N 464.434 5.321 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cc(Br)ccc1F 1793557943 HSTFYOWCGJJTSD-ACDBMABISA-N 479.434 5.151 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1799280119 MNLRFUDNBPIWRL-KOUNCHBCSA-N 474.567 5.971 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)c1 1800686525 ZYJCYCXTQDIHPR-REPLKXPHSA-N 467.500 5.162 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1802491005 FKWXGQZICRVUER-JCTONOIOSA-N 465.663 5.261 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1804173756 APTUDYDYHLJMPT-HXOBKFHXSA-N 486.062 5.189 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C)nn3-c3ccccc3)CC2)C1 1804858900 VLCJSWALWVPWAN-UHFFFAOYSA-N 462.638 5.018 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)C1 1804866497 AIEULBLVGYSHJW-UHFFFAOYSA-N 491.632 5.369 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)C1 1805458356 JQUGOCFSJZSDLA-UHFFFAOYSA-N 485.628 6.041 30 20 JKED N#CCCC(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1806860389 JDAJGTKFMNZIHQ-MAGBQMITSA-N 479.024 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)[C@@H]1c1cccnc1 1810175491 SESKLQIAGZXDHT-KSCKTEMCSA-N 498.602 5.371 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810273820 YOIRFJPMSDPQSE-ATIYNZHBSA-N 496.127 5.414 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@@H]1c1cccnc1 1812219176 NVEIHKLXXFNMKS-BTYSJIOQSA-N 494.595 5.336 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812514728 APOJOGIPDOEQFA-AZOUXBGGSA-N 488.097 5.135 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1814066972 PPDKUWPENMPKCN-JKLQHZFJSA-N 479.587 5.449 30 20 JKED Cc1ccc(F)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814577246 ULKCUCVNXGFOPI-HXUWFJFHSA-N 465.916 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2OCCc3ccccc32)n[nH]1 1815130000 JYJJBNCCUHOXMM-DHIUTWEWSA-N 464.610 5.098 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1815206689 RPOFVNIVGADQHP-OAQYLSRUSA-N 491.617 5.166 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1815656847 ISQKOKYGBQTZJS-KRWDZBQOSA-N 486.947 5.307 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccs3)n[nH]2)cc1C#N 1815994404 IGPOKAKKTOSICK-JOCHJYFZSA-N 491.617 5.069 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1ccc2occc2c1 1818703097 SSMIXGQAOHDXAK-JOCHJYFZSA-N 472.932 5.167 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(F)CCCCC3)n[nH]2)c1 1818883207 DVLSNHPTRAJIGO-LAUBAEHRSA-N 451.546 5.015 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)[nH]n1 1819309563 CYXQGBYAVXZYNC-YKSBVNFPSA-N 477.584 5.423 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4ncccc4c3)[nH]n2)c1Cl 1820219793 YLKUDARAIWPVPH-QFIPXVFZSA-N 484.947 5.103 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1Cl 1820223233 JVXVKDWRVFDPCG-LJQANCHMSA-N 498.370 5.216 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2OC)n[nH]1 1821791882 SXLRTNHCLPREBQ-NRFANRHFSA-N 471.001 5.075 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccs2)[nH]n1)c1ccc(O)cc1 1822466005 KUAJGGPKNQPHAS-APBDPQBWSA-N 488.613 5.080 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)[nH]c12 1823214594 GSLPCRBUFJOXTJ-HOYKHHGWSA-N 480.572 5.446 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)cc1C#N 1823294765 SKNYHJLZZFAGRV-VWLOTQADSA-N 497.599 5.566 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)cc1 1823683115 JRKFSOLSGYPZLE-QHCPKHFHSA-N 475.614 5.232 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)CC1 1824040431 SQBNYRRMAAFNGS-AREMUKBSSA-N 463.666 5.333 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1824958873 IGWPUCSOYZGWAL-JOCHJYFZSA-N 487.065 5.753 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccc(C)cc3s2)CC1 1826201892 BITAIWWQUKLRDV-IBGZPJMESA-N 461.578 5.049 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 1827329708 JLPIUPDMJNOUOZ-GDLZYMKVSA-N 492.623 5.476 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cscc2OC)CC1)c1ccccc1 1827912372 UZDCDYRXNAOYQK-ZCYQVOJMSA-N 478.658 5.187 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1828886891 ZCKOJTOQPITSGR-VXKWHMMOSA-N 481.464 5.108 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(F)(F)F)CC1)c1ccccc1 1829033274 TZSPPMYNJXRPCO-GOTSBHOMSA-N 462.556 5.146 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ncsc3[nH]2)CC1)c1ccccc1 1829033628 YCHZAKMKCVVQLU-RCZVLFRGSA-N 488.657 5.055 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)CC1 1829387840 GIQVTLUNYOSQCH-FQEVSTJZSA-N 465.560 5.326 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(Cl)s2)CC1)c1ccccc1 1829401892 MTXNJJASFWGKDU-YADHBBJMSA-N 484.065 5.227 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829572916 LEKNZVHLVZAGFG-VWLOTQADSA-N 485.628 5.650 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829756772 QRVIWROBFTXFIH-OZXSUGGESA-N 495.067 5.732 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2)CC1 1830001716 HZPJPJLPHPVRTL-LOSJGSFVSA-N 497.680 5.088 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1830015187 UQCORORRAOZESG-MUUNZHRXSA-N 478.596 5.167 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1830637854 XECCSMCLCFGVRF-IDISGSTGSA-N 496.611 5.516 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830655704 JLGUQCMDFZBJLY-LJQANCHMSA-N 473.441 5.285 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830714260 VLZGNDXHBIUBLA-CLOONOSVSA-N 479.621 5.111 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830715430 WNZGTKSFPRMKBN-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755739 OGXIXBDVMMKASY-VGOFRKELSA-N 461.528 5.023 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830781281 QIBCKQBYCLZKOG-NRFANRHFSA-N 469.478 5.454 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c(Cl)c1 1830911716 IBTKTIGZHWADOL-XMMPIXPASA-N 475.976 5.505 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1)C(F)(F)F 1831452138 VGWQHRMJAHNIKU-XGAJZPNHSA-N 489.582 5.103 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1)C(F)(F)F 1831452190 YTLUEPAVJXUFAY-HXUWFJFHSA-N 475.511 5.002 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1832043701 VWBBLRQTZZTOIO-DEOSSOPVSA-N 496.076 5.410 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1cccs1 1832144672 BLBIXADWTLVUOP-VGSWGCGISA-N 470.038 5.310 30 20 JKED Cc1nc2ccncc2cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832631259 BMQAIMVCWABBRR-MMTVBGGISA-N 495.627 5.112 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1832686851 KZBYWAPRJKSULX-NRFANRHFSA-N 471.935 5.037 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832704184 IYXVMRMDWMKWRD-PGRDOPGGSA-N 481.559 5.048 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)CCC1 1832785546 DLTVCOLKLNGWMR-GOSISDBHSA-N 499.936 5.425 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Cl)cc(Br)c3[nH]1)C2 1841058266 UWIADYNTCCMKKT-UHFFFAOYSA-N 492.845 5.393 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](C)C#N)c3)C2)c1Cl 1846832884 BVGRIKLXRXBRDS-HNNXBMFYSA-N 456.373 5.060 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179492 CFZZLJHGNKADIF-UHFFFAOYSA-O 488.416 5.665 30 20 JKED COc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3C)=C2C)cc1 10358246 LORMHOAMPNGEKI-RUZDIDTESA-N 468.582 5.224 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2ccc(F)cc2)cc1 10829575 XIJZPSVDGPPQBM-UHFFFAOYSA-O 496.628 5.799 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1ccc(F)c(F)c1 11113302 HBJYAHRMASJGAZ-UHFFFAOYSA-O 451.490 5.618 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1C(F)(F)F)[n+]1cccc(O)c1)c1ccc(Cl)s1 11156978 OZWRMPIKGVAUGL-UHFFFAOYSA-O 457.906 5.464 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)c1C 11247181 SHSLMYYPQKYVLY-UHFFFAOYSA-O 496.628 5.583 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(OC)c2)cc1 11261608 LJKHFOGESVWOON-UHFFFAOYSA-O 473.662 6.426 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11262956 PQDBXPFBYRVHBE-UHFFFAOYSA-O 461.607 5.482 30 20 JKED C=CCc1ccc(OCC(=O)Nc2c(Br)cc(C)cc2Br)c(OC)c1 14734728 IMEQYIIKEIGYKM-UHFFFAOYSA-N 469.173 5.275 30 20 JKED O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)c1sc2cc(F)ccc2c1Cl 14866673 KUKRYUCGOKZIRD-UHFFFAOYSA-N 479.986 5.197 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247880 PIAPBQPDLYHUCG-UHFFFAOYSA-O 463.385 5.537 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccc(Br)cc1 16832581 ZSQKMSCHLPJYJB-UHFFFAOYSA-N 498.450 5.225 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(Br)cc1 16832654 UDSLGRLLBVCCFD-MRXNPFEDSA-N 485.451 6.136 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(Br)cc1 16832671 SLBZOGGLFNHNDD-HNNXBMFYSA-N 487.423 5.330 30 20 JKED C[C@@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C(=O)Nc1ccc(C#N)c(Cl)c1 18599732 PABZDAZKCWCGER-LLVKDONJSA-N 484.965 5.435 30 20 JKED C[C@@](C#N)(NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CCC2)C1CC1 21458693 ZHGMJWCORBXQNV-GXDBQKBXSA-N 465.553 5.077 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 22679545 MKXJLGWHRYCUNQ-CQSZACIVSA-N 477.417 5.416 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1cc(C)ccc1C 22729643 CIPFPABHTCYWPF-UHFFFAOYSA-O 468.440 5.967 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nnc1-c1ccoc1C 24966475 CQPMVFGZNOGKSS-UHFFFAOYSA-N 495.029 6.608 30 20 JKED COc1ccc(-c2nc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)cs2)cc1 25822910 MBYFSUFKBUVPEZ-UHFFFAOYSA-N 492.601 5.409 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c(F)c1 26556620 SBPVQBAVQXRURV-UHFFFAOYSA-N 459.546 5.014 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(OC(F)F)cc2)c1 28781009 ZYYXHORYFTZOQR-UHFFFAOYSA-O 492.365 5.697 30 20 JKED C=CCn1c(SCc2noc(-c3ccsc3)n2)nc2scc(-c3ccccc3)c2c1=O 39554350 KVHUVWHGDQNLOI-UHFFFAOYSA-N 464.597 5.715 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2scc(-c3ccccc3)c2c1=O 45256090 QDDGGCRTAZCIHE-OAHLLOKOSA-N 492.582 5.339 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CCNC(=O)c2cc(F)ccc2Br)cc1 303013605 PJHHIAYQDCHOAN-UHFFFAOYSA-N 482.309 5.011 30 20 JKED N#C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc(OCc2ccccc2)cc1 303244307 LEYOYYOKRDPNJO-FQLXRVMXSA-N 488.543 5.714 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cnn1-c1ccc(C(F)(F)F)cn1 303347799 MYIZGAIANFYMCA-UHFFFAOYSA-N 491.473 6.326 30 20 JKED C[C@@H]1CN(Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)C[C@@H](C)O1 488013360 HWTUACGRCRBQJU-FGZHOGPDSA-N 471.576 5.149 30 20 JKED COc1ccc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1OCc1cn2ccccc2n1 488999012 FLGIEFVMIKKWRD-UHFFFAOYSA-N 485.569 5.040 30 20 JKED C[C@H](NC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)cc1)c1ccc(C#N)cc1 499238041 QLAJOZICQMHDQG-SZPZYZBQSA-N 498.586 6.079 30 20 JKED Cc1nc(CSc2ccccc2C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cs1 499484665 BBEPCOMWBZNTNV-UHFFFAOYSA-N 485.638 5.126 30 20 JKED CCCn1ccc2cc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)ccc21 499923355 RLUIBDHGKUEGRJ-UHFFFAOYSA-N 468.582 5.906 30 20 JKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCC(C(=O)Nc6cccc(C#N)c6)CC5)(C4)C2)C3)cc1 501714078 JXCPTVLDGRDOOZ-FKHQVGDISA-N 497.639 5.282 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(NC(=O)C2CC2)cc1 502673020 WUFFNVPWIVVQQG-IBGZPJMESA-N 468.557 5.563 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 503185353 QYSFVAGALQHNIU-NRFANRHFSA-N 469.427 5.015 30 20 JKED C=CCn1c(SCc2cnc3c(cnn3C(C)C)c2)nc2sc3c(c2c1=O)CCCC3 504292362 YPIFDZIZHSMSFN-UHFFFAOYSA-N 451.621 5.141 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)CC2)c(F)c1 504889871 RRFOOIMWABONMS-UHFFFAOYSA-N 461.349 5.090 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1 505651059 IZKCUOAZLFZEHW-UHFFFAOYSA-N 450.498 5.675 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1 508273650 LGMRMPBKNURJDK-XXBNENTESA-N 456.546 5.316 30 20 JKED CCN(C(=O)CCc1nnc(-c2cc(F)ccc2Br)o1)[C@@H](C)c1ccc(C#N)cc1 508940111 CJPSHFXCSLMATO-AWEZNQCLSA-N 471.330 5.052 30 20 JKED CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)ccc2C)cc1 509565278 VNWIPZYEMCKMHI-UHFFFAOYSA-N 493.585 5.106 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 509914519 RLAUODPLEJSXGW-UHFFFAOYSA-N 483.490 6.186 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)o1 509949773 VGAYRHLBECQOCC-UBMNLSNXSA-N 460.669 5.484 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)N2CCCc3ccccc32)cc1Cl 513063077 JAQFQZAPIXOAEU-JOCHJYFZSA-N 458.949 5.096 30 20 JKED C[C@@H](SCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc2ccccc2[nH]1 515447107 QPCWWAIXDHITDM-MRXNPFEDSA-N 455.543 5.120 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3CSc3nc4ccccc4o3)n2)cc1 516270471 ZZRNWJOOLQSBLH-OAQYLSRUSA-N 497.601 6.742 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1)c1ccccc1 516713669 GIOBCEFOHSYWCD-VGOFRKELSA-N 450.523 5.707 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 517527954 NIZWGQYVLHNZBI-BVZFJXPGSA-N 469.566 5.671 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 517800755 GKAATZXMEYCXQK-HXUWFJFHSA-N 483.553 6.020 30 20 JKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)c2cccc(C#N)c2)c1OC 518706427 PGQHODXDWKYVJI-LVZFUZTISA-N 475.548 5.887 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccc(C)cc2)cc1 518750380 LQESYIOXXPIAFV-NDEPHWFRSA-N 491.547 5.512 30 20 JKED CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 518829259 JOPCMOFQKVLUKR-UHFFFAOYSA-N 488.432 5.114 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c3cnn(C(C)C)c3n2)c(C)o1 519424107 SMKGITFHYUCNJU-INIZCTEOSA-N 473.602 6.393 30 20 JKED COc1ccc(Br)cc1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N 519432968 JWLFMOPYGKQKIP-CQSZACIVSA-N 465.438 5.581 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 519451179 SLDGTSSFZLWXHV-HNNXBMFYSA-N 479.469 5.112 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)COc3cccc(NC(=O)c4ccco4)c3)cc2)c1 519509040 WPABEXZBMUEODD-UHFFFAOYSA-N 453.454 5.213 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 520148294 BGZSWAOGHVCLBE-UHFFFAOYSA-N 458.612 5.759 30 20 JKED CN(CCCOc1ccc(F)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 520889550 LAUQQBOZRSNNQX-QHCPKHFHSA-N 479.939 5.001 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(C)cc2C)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 520915264 KGSIYJLQYGDQDB-LJQANCHMSA-N 458.591 5.100 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)CC2)c1 521513718 LNFBCGRGFOJBAP-UHFFFAOYSA-N 474.870 5.100 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc1 524272304 XMONGUXSAXEKBN-UHFFFAOYSA-N 480.549 5.389 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 524566622 XHMVTEBCALONFZ-GDBMZVCRSA-N 471.051 6.906 30 20 JKED FC(F)(F)c1ccn(-c2ccc(CNC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)n1 589838257 JKBSJJNUQCQOOL-CHWSQXEVSA-N 459.356 5.890 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 590252886 CIRWYFDAYBLANM-UHFFFAOYSA-N 479.270 5.979 30 20 JKED O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)Nc1ccc(F)cc1C(F)(F)F 590336826 UCSOLLHXWHFAQI-GOSISDBHSA-N 479.396 5.058 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 591513772 FBQCEMIPJLOOKH-UHFFFAOYSA-N 455.514 5.486 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)c1 594662643 MYXQWPVIZNJTMT-XDUYTMKBSA-N 477.608 5.120 30 20 JKED N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c(C(F)(F)F)c1 602760433 NOFMSEZOSLYHSP-QFIPXVFZSA-N 451.404 5.119 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cc(F)c(Cl)cc1Cl 603701495 NHGOSVSBMYNJBX-LBPRGKRZSA-N 473.291 5.007 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)cc1 603706191 MQYRHEYAUTYURN-MHECFPHRSA-N 459.615 5.907 30 20 JKED Cc1nc(-c2ccc(CNC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)s2)cs1 603829724 BAFDSEDFNVAMLL-UHFFFAOYSA-N 484.657 5.517 30 20 JKED Cc1nc(NC(=O)CCc2c(C)nn(CCC#N)c2C)sc1Cc1cccc(Br)c1 603975371 VMLAONFAQQQIBC-UHFFFAOYSA-N 486.439 5.103 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1 604085405 FKSOCHIHWBLODN-UHFFFAOYSA-N 491.551 5.301 30 20 JKED COc1cc([C@@H](C)NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OCc1ccccc1 604128955 FALRAKIRYAQNGD-HSZRJFAPSA-N 498.627 5.124 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604211601 YSAZCVDWOSUIKO-CQSZACIVSA-N 469.328 5.210 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cn2)cc1 608994281 JKKAMVZNJWSCEE-XMMPIXPASA-N 487.947 5.379 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)no1 609063199 PEMBCGBDFCGIQL-UHFFFAOYSA-N 490.972 6.027 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)oc12 609084691 BAZPHPDPIVIIRJ-LJQANCHMSA-N 497.551 5.407 30 20 JKED N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2nc(-c3sccc3Br)cs2)cc1 609097651 CAVZAVCASLCMGV-INIZCTEOSA-N 459.394 5.113 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 609101231 KFGVNUZXNIKKGF-XMMPIXPASA-N 475.614 5.225 30 20 JKED N#CCN1CCC(NC(=O)c2sc3ccccc3c2CSc2ccccc2Cl)CC1 609330645 WHENHDZONCANDD-UHFFFAOYSA-N 456.036 5.565 30 20 JKED COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2SCCC#N)c1 609375520 KDZHAOPQIVHCHA-UHFFFAOYSA-N 495.626 5.087 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCSCC(=O)Nc1ccc(Br)cc1 609382933 XOHBBMCGCGBHPS-HNNXBMFYSA-N 492.464 5.401 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 619321917 CSLNMFWQUBIHFE-NHAGDIPZSA-N 494.407 6.658 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CC(c2cccc(C(F)(F)F)c2)C1 622660411 FWZVLSXSXJYVSB-UHFFFAOYSA-N 457.349 5.289 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C(C)C)cc2)cn1 726112616 OFMIOIBIMNGSFN-HSZRJFAPSA-N 493.608 5.326 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N/[C@H](C)c2cccs2)c(C)s1 726416571 QOZLMSKCUHIVGM-POSHNTOJSA-N 461.678 5.217 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)cc1 728411890 OIBRRMVYRLGVNK-CXAGYDPISA-N 470.360 5.357 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C#N 728424527 CTUDOFFDZITFET-MHECFPHRSA-N 497.580 5.005 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)nc2)ccc1Cl 729173297 DCOLWXKYRALXCZ-UHFFFAOYSA-N 462.358 5.022 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2 729313858 YSNDDMUHQVITOB-UHFFFAOYSA-N 473.598 5.040 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 729631674 KYODBASVYNFJEA-DEOSSOPVSA-N 490.604 5.813 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 729889075 POSVQMOAIGOLHR-HJJDGDTKSA-N 489.616 5.330 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(C2CCC2)C1=O 730459996 RMNGNIFVGDFKTR-FQEVSTJZSA-N 485.993 5.168 30 20 JKED Cc1nn(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c(C)c1Cl 731064587 SMFVGJLXUQJRJE-OAHLLOKOSA-N 482.993 5.332 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2cccs2)c1 731310107 AGMDLGYYZFWBBY-OPAMFIHVSA-N 495.626 5.054 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731312424 LRKUZBMAUSEJIG-QHCPKHFHSA-N 471.538 5.299 30 20 JKED Cc1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)cc1F 732799695 ZERSEXNMGNQYJS-HNNXBMFYSA-N 459.852 5.054 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCOC(C)(C)C)C2=O)cc1 746696380 NCJZULUKVIEIHR-QHCPKHFHSA-N 495.645 5.281 30 20 JKED C=CCc1cc([C@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccc(C)cc2C)cc(OC)c1O 747144287 QMVYGGKTTPBLSJ-RUZDIDTESA-N 475.589 5.135 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H](COCC(C)C)c2ccco2)C1=O 750917755 WSGOULBZZKQGPN-MJGOQNOKSA-N 498.432 5.068 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c1C 799215275 JPXNJFISMUYEMW-QGZVFWFLSA-N 471.451 5.104 30 20 JKED C=CCN(C(=O)COC(=O)c1c(C)nn(C)c1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 827446992 MYQPTLMVVHPPDQ-UHFFFAOYSA-N 499.807 5.188 30 20 JKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)c1 856575399 BLQOFSVWRLEXQP-LJQANCHMSA-N 476.964 5.950 30 20 JKED N#Cc1ccc(N2CC[C@@H](c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)C2)c(F)c1 904480145 TUBWDDBEVVLDCB-OAQYLSRUSA-N 464.504 5.139 30 20 JKED C=CCn1c(SCC(=O)Oc2ccc(F)c3c2C(=O)C[C@H]3C)nnc1-c1ccc(Cl)cc1 914445114 OMXQCWFECOETBY-CYBMUJFWSA-N 471.941 5.311 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 915088799 ZRRWXFYEYKLQSL-FQEVSTJZSA-N 465.347 5.764 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC2CCC2)cc1 915111200 KKYGNDYKLSXZLO-QFIPXVFZSA-N 451.592 5.072 30 20 JKED CC(C)c1ccc([C@@H](CNC(=O)c2ccccc2SCC#N)N2CCc3sccc3C2)cc1 915632926 PQVBUVCCKOZVRW-XMMPIXPASA-N 475.683 6.017 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(COCc3ccccc3)c2)cc1 915763861 KXSXMVLDICVHAM-GDLZYMKVSA-N 489.575 5.314 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916207298 YQPAWHSKXNJKBN-UGSOOPFHSA-N 496.391 5.272 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCc3ccccn3)C2=O)cc1 916212600 YYJQKKXOYSXWTL-QFIPXVFZSA-N 479.005 5.246 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 916806745 DZYDPZXELCXJEJ-UHFFFAOYSA-N 477.394 5.276 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc2ccccc2n1 916848902 QESPVHAWALEQRB-GOSISDBHSA-N 474.314 5.262 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)CSCc1ccc(C#N)cc1 916876901 BWVQTRCKVRXKSZ-UHFFFAOYSA-N 496.588 6.120 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2cccc(Cl)c2)n1 916907995 KMBPZDPVZCKTBZ-LJQANCHMSA-N 473.941 6.217 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 916914318 YJHAKOQIPMHPKU-QFIPXVFZSA-N 490.357 5.225 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1OC 916948352 UJQHAYVHRLYWJE-BEFAXECRSA-N 487.394 5.721 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 917036040 IDSOBTFVESKYSY-UKILVPOCSA-N 479.001 5.196 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc(I)cc1)c1nc2cc(Cl)ccc2s1 917046175 GVMQIPKEKJVDCF-CQSZACIVSA-N 494.741 5.394 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCc1cccs1 917566258 DMYZAMSNZGOBEP-UHFFFAOYSA-N 487.606 5.965 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC(F)(F)F 917702176 RPRLPAAZLMFRAY-FQEVSTJZSA-N 482.487 5.234 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)c1 917703519 NJUYWLSRLSNZBO-QHCPKHFHSA-N 454.555 5.027 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)cn2)cc1 918586835 LSZVTSHCNFZCQE-VWLOTQADSA-N 461.477 5.452 30 20 JKED N#Cc1ccc(N2CCN(Cn3nc(SCc4cccc5ccccc45)sc3=S)CC2)nc1 918729494 LIQAQPCZZYBJPY-UHFFFAOYSA-N 490.683 5.166 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1c(C)noc1C 920351600 CFAGLYYIXONQSC-NRFANRHFSA-N 480.565 5.208 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3sccc3NC(=O)c3ccncc3)c2)c1 920462422 JAWOYKABTHERQY-UHFFFAOYSA-N 454.511 5.098 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1 920517446 BXJGJSSFRYGFEA-WDZFZDKYSA-N 471.460 5.475 30 20 JKED Cc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(Br)c1 920806975 VDHITOFZAWIYFA-CHWSQXEVSA-N 477.330 5.803 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920851507 NCNZOGIAVBEJID-UHFFFAOYSA-N 452.474 5.368 30 20 JKED COc1ccccc1-c1nc(COC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cs1 920893896 ZZZJIEMOGWKJFX-UHFFFAOYSA-N 472.570 5.570 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 921223051 IPXXPPKJNLJQQC-UHFFFAOYSA-N 466.733 5.437 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3C)cc2)CCC1 1787046200 FUYUQAHNRGRNKS-UHFFFAOYSA-N 478.337 5.112 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cc4cccc(F)c4)c3)CCC2)cc1 1787890564 XKGSLDPMQFVLAO-UHFFFAOYSA-N 455.533 5.468 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1789493193 YAUXPPHXLRVVMH-ADXHGGABSA-N 487.644 5.072 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCNc3ccc(C)cc3C)cc2)CCC1 1789566190 PTQSRHJGSOWGJS-NRFANRHFSA-N 464.610 5.040 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5c(ccc6ncccc65)s4)cc3)CCC2)CC1 1789998283 VPQMWYFUUYNPER-UHFFFAOYSA-N 466.566 5.501 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)Cc3cc(Cl)ccc3Br)cc2)CCC1 1791199103 CXNBIMURKXNSJP-CYBMUJFWSA-N 481.843 5.097 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C4CCC(CC4)N3C(=O)OC(C)(C)C)cc2)CCC1 1791411305 NEQIZWAZNMIOLX-QNAFOZIXSA-N 493.648 5.102 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCc5ccoc5C4)CCC3)cc2)c1 1792123044 HQYVVFQAYXACNU-WMZHIEFXSA-N 467.569 5.459 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(OC)c3)cc2)CCC1 1792147949 RCPJLXZHQAQQEX-UHFFFAOYSA-N 456.970 5.079 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C)C(F)(F)F 1800832719 QPASIAZVEWPGLD-BCDXTJNWSA-N 495.542 5.021 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1802419271 ZMSJALOUFPYXHC-XNMGPUDCSA-N 451.570 5.034 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)[C@H]1c1cccnc1 1802492425 PXDQDCCYKWWNCG-CUNXSJBXSA-N 472.633 5.112 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1803418534 URAZOIYYBBCPRS-ZWSUVBHBSA-N 463.647 5.037 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1804176772 YRCSUZIZMNEDOP-AMGIVPHBSA-N 487.625 5.113 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809244445 PMTUCLDBADTXDZ-KCWPFWIISA-N 487.676 5.199 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1809850829 XOFIUFJIVUEDJQ-QNIAMRLHSA-N 477.605 5.523 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC2(CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)CC1 1810118264 CDAIEGXIOZQPKE-UHFFFAOYSA-N 488.031 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1810173868 BSTUFPUSKPUICK-OAUWFCSDSA-N 463.647 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc4c(Cl)cncc4s3)C2)CC1 1810249639 BOVDALWNJMXKJC-GOSISDBHSA-N 472.054 5.563 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occc3c2)[C@H]1c1cccnc1)c1ccccc1 1810443199 DUMBASCLXPCWQV-YCVJPRETSA-N 491.591 5.345 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)sc3Cl)[C@@H]2c2cccnc2)cc1 1811105477 REQONPLYWKDJSI-NQIIRXRSSA-N 499.423 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1811161372 QUMSJZSPLWLROO-INNMJMHTSA-N 480.612 5.232 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811220592 NXEGUMIGPXCRDE-DVECYGJZSA-N 493.394 5.202 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4cccc(F)c4s3)[C@@H]2c2cccnc2)cc1 1811359777 NRDHVFMRDQPXRI-WIOPSUGQSA-N 498.583 5.135 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811440729 ACECTDADVGWZDW-SVEHJYQDSA-N 483.587 5.401 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1 1811894696 ZRHFWPAEFMAQHV-RSXGOPAZSA-N 460.622 5.269 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@H]1c1cccnc1 1812596148 IRMIQWPWEPVCEO-LTMIRXACSA-N 486.443 5.338 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1812790927 YXJHQICHMVEIQT-HBNGBVNPSA-N 493.051 5.533 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1813955235 QUCVTPJXTKHKNG-URXFXBBRSA-N 485.550 5.497 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1814409338 JYTASEJDYQRPQF-ZGSOLVRCSA-N 473.602 5.071 30 20 JKED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1)c1ccc(Cl)cc1 1814659571 CSGIHHSRKZXZSE-IVZQSRNASA-N 479.943 5.183 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)c3ccc(Cl)cc3)n[nH]2)c1 1814661429 WXMUBAAERIEGBM-GGUMNFRJSA-N 490.007 5.800 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)[nH]n1 1814829600 UPRPVXJGRSVRHW-XMMPIXPASA-N 463.626 5.289 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1815655107 ILYXBNUYFUAXPD-FQEVSTJZSA-N 489.601 5.172 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)cnc2C)n[nH]1 1816118225 KVBYVLPKFOLNOQ-LJQANCHMSA-N 488.430 5.174 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816204224 HVBSUGCOMJFXLR-HSZRJFAPSA-N 461.541 5.043 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nccc3occc23)n[nH]1)c1ccccc1 1817716137 SLDHGJKWVSBMNQ-NFBKMPQASA-N 481.556 5.054 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114337 UKKWXJNJADOORS-VYENPZKTSA-N 482.993 5.178 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)oc2ccccc12 1818116115 WFFXUGVNKFBFOC-TZZQJPOUSA-N 488.569 5.271 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)n[nH]2)cc1 1818931675 SHPRQVBETAMQOP-FMRHZRETSA-N 459.594 5.194 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1819493661 RLCXDMBFSFPYDW-VKLLJNPMSA-N 471.561 5.348 30 20 JKED Cc1cccc(C)c1SCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1819590582 VVBHBMREILSIKL-HSZRJFAPSA-N 487.629 5.191 30 20 JKED CO[C@@](C)(C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](S)C(C)C)[nH]n1)c1cccc2ccccc12 1820702406 FTDCOBALAWIXBQ-RWCIVJTCSA-N 494.661 5.071 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1 1820977270 VPIAZXCDFCZEAK-YWZLYKJASA-N 494.423 5.142 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1821338704 NDXCZHXBVVGTLX-HTHFWCIQSA-N 488.375 5.043 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821428973 NBZBMDICZQPZIU-LJQANCHMSA-N 473.911 5.129 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2onc3ccccc23)n[nH]1)c1ccccc1 1821473061 PYYOVPXXXRGWJK-HYBUGGRVSA-N 481.556 5.054 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821610387 AXFWLLCWPMDTSH-VGOFRKELSA-N 456.546 5.827 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(SC)cc2)n[nH]1 1822591529 IODLQLDRDBIQKR-JOCHJYFZSA-N 452.624 5.135 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)[nH]n2)c1 1823212943 ZWGDKKWYIVWXJJ-MHECFPHRSA-N 485.563 5.214 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)CC1 1823216498 KNNCJQZMCRZUES-DBYOASNMSA-N 461.610 5.559 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)CC1 1823292523 MQEKNFVECKKDSB-AUSIDOKSSA-N 475.593 5.121 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3F)n[nH]2)cc1 1823295933 YBADBNCKXUBZQE-OAQYLSRUSA-N 499.468 5.253 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 1823684443 XJVPCJSJWXIYSN-JCYYIGJDSA-N 487.619 5.053 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1823812606 MLSSWBSGRMACGA-OYUWMTPXSA-N 490.047 5.178 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1824502276 DVPSYADRSAFILY-NRFANRHFSA-N 484.534 5.061 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824986248 MCVYSIYCUZRNOO-QHCPKHFHSA-N 479.086 5.038 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3nc(-c4ccccc4)sc3C)CC2)C1 1825102424 QQUNGDNRWXAKIB-RUZDIDTESA-N 477.674 5.247 30 20 JKED O=C(c1cc(F)ccc1OC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826670278 MHEWUHSIMCTUBA-QGZVFWFLSA-N 498.439 5.300 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)cc1 1826683153 IFEKMFVFIPBLSL-AREMUKBSSA-N 455.602 5.199 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cc(O)ccc4n3)CC2)c1 1828094061 CEIHYKFHNNDCKZ-PIIWDFAUSA-N 496.611 5.115 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828161426 PXVJZKIXFKTLRG-NBGIEHNGSA-N 469.576 5.448 30 20 JKED CN(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c2ccccc12 1828169422 XNFOORGZROMFHX-NDEPHWFRSA-N 494.639 5.325 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1829009812 OFJCVWNTZDAKJQ-WFTVZMDTSA-N 459.590 5.105 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829574100 YVHZBIGQRDYLMV-XMMPIXPASA-N 471.601 5.465 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576781 FXQXUHSZIAFWNN-DEOSSOPVSA-N 473.642 5.486 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829658156 BOTHXVFUEFOMCB-QFIPXVFZSA-N 480.983 5.368 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701058 FQOAZXPLVHCMJN-FQEVSTJZSA-N 464.940 5.531 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830418313 TZSCAZHRKICKQW-MGPUTAFESA-N 486.415 5.167 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1830633010 ANHHMGZOZYGJPD-RSXGOPAZSA-N 490.047 5.369 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3CSc3ccccc3)CC2)CC1 1830708290 RGGAFVZKYPFHSO-SANMLTNESA-N 487.669 5.516 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c(Cl)c1 1830721299 GGPMXGNINYIXMG-DEOSSOPVSA-N 484.427 5.341 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830745429 KXOCPMBJYRTFNI-NDEPHWFRSA-N 469.629 5.302 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4[nH]c(C)cc4c3)CC2)c1 1830770477 YAORVFZKVLZJFP-HHHXNRCGSA-N 468.601 5.204 30 20 JKED COc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc(F)c1F 1832634071 NQWJPEYSERRCHR-HOYKHHGWSA-N 495.570 5.148 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(F)(F)F)ccn3)CC2)c1 1832634087 RONNSYLPUPSEBZ-MHECFPHRSA-N 498.549 5.275 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(C(F)(F)F)c(F)c1Cl)C2 1844202824 DQRNHEQDZHGTEL-AWEZNQCLSA-N 458.883 5.083 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCCC12CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1845341321 OAYJGZRONKOHJH-CTYIDZIISA-N 480.424 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C 1847507981 XBQUEGGGLKHJNX-GOTSBHOMSA-N 491.717 5.436 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 9072837 WSDOKNMTZWYTNV-UHFFFAOYSA-N 461.930 5.911 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)o2)cc1 10323284 GKEBAHVIATVPIK-UHFFFAOYSA-N 492.649 5.719 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 10829242 RLWMPKIJHVSRLP-UHFFFAOYSA-O 472.609 5.710 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1cccc(O)c1)c1ccc(Br)cc1 10831719 XGYUXGRBDUCAID-UHFFFAOYSA-O 462.776 5.147 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2C)cc1 11167589 JUOANNMPPAPYFM-UHFFFAOYSA-O 453.578 6.515 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(Cl)c(Cl)c1 22695198 YSIAQYVILBPORQ-UHFFFAOYSA-O 466.360 6.172 30 20 JKED C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1 26262675 XLXCNCBKCCSQSE-ZDUSSCGKSA-N 464.538 5.171 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 32789541 BIBHYYKEUIUUPN-UHFFFAOYSA-N 466.916 5.458 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 115193279 PPBSPHRFZBWYSH-MRXNPFEDSA-N 481.668 5.550 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4cccc(F)c4)CCOCC3)cc2Cl)c1 303224106 VTALWNRHHDCTFI-UHFFFAOYSA-N 464.924 5.617 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 409474938 LUXWCUGGNSNHOP-UHFFFAOYSA-N 488.401 5.112 30 20 JKED C[C@H](NC(=O)C(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1)c1ccc(C#N)cc1 480943509 XSQLYTKYZGWIOF-SFHVURJKSA-N 482.565 5.077 30 20 JKED CCC(C)(C)C1CCC(NC(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)CC1 495320449 GQMQWHZQENQSAR-UHFFFAOYSA-N 467.570 5.105 30 20 JKED COc1ccc(I)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 497291909 FRUYKCHNQSPZOH-UHFFFAOYSA-N 484.293 5.003 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c(C)c1 498840492 UVADFXJFMVDTCF-SFHVURJKSA-N 462.623 5.280 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)COc3ccc(F)cc3Br)c2)cc1 501459720 CLCJXJZKTKCZND-UHFFFAOYSA-N 469.310 5.251 30 20 JKED Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCC(C(=O)Nc6cccc(C#N)c6)CC5)(C4)C2)C3)cc1C 501714392 DQPXPJFOQPPFJL-BWHYVWILSA-N 495.667 5.890 30 20 JKED CCCOc1ccccc1Oc1ncccc1CNC(=O)CSc1nc(C)c(C)c(C)c1C#N 502279857 VRRPIUOCXNRNFB-UHFFFAOYSA-N 476.602 5.263 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)c1 503157925 KBCPIKKLJWURHW-UHFFFAOYSA-N 484.265 5.528 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 507838420 SKCQQYBDLRUKQO-OAHLLOKOSA-N 453.445 5.400 30 20 JKED COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508253159 RZGZXOHNYNMNPD-UHFFFAOYSA-N 451.910 5.685 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3Cc3ccccc3Cl)s2)cc1 510596294 BLBRTCLEUSNETA-GOSISDBHSA-N 470.023 5.594 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C 510606991 FBRRBMCJXWSWGY-UHFFFAOYSA-N 493.611 6.107 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 511776434 KGDDHXVQBLVMIK-UHFFFAOYSA-N 455.558 5.456 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 512067531 HNKOHOKZJHGMHO-CYBMUJFWSA-N 481.836 6.134 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccc(C(F)(F)F)cn1 513191567 PRSAPGPYTLOLPA-HXUWFJFHSA-N 487.441 5.643 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nc[nH]n4)c3C#N)C(C)(C)C2)o1 513218008 HDVJEQCLHMVBIL-ALCCZGGFSA-N 451.577 5.148 30 20 JKED N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1)c1cccc(Cl)c1 515308407 WIFFBTXWUQTBMI-UHFFFAOYSA-N 466.994 5.204 30 20 JKED C=CCn1c(SCC(=O)N2CCCc3cc(F)cc(F)c32)nnc1-c1ccc(Cl)cc1 515449992 ARCISONBXJAEPE-UHFFFAOYSA-N 460.937 5.134 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c([N+](=O)[O-])cc1OC 515706807 DULILTXYITZEBN-UHFFFAOYSA-N 453.838 5.182 30 20 JKED COc1ccc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H](C)C2CC2)cc1 518224498 ZDOOVIBDTUMRBU-OAQYLSRUSA-N 469.585 6.173 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 518240045 RUNWOJKXIRVTGH-GOSISDBHSA-N 477.611 5.085 30 20 JKED Cc1sc2ncnc(SCC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2c1C 518315534 NQGJTYWSIOSCNX-UHFFFAOYSA-N 484.657 5.054 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4ccc(Br)cc4c3C)n2)cc1 518516655 QXUOCAAKMOSAPN-KRWDZBQOSA-N 467.344 6.126 30 20 JKED N#CCCSc1ccccc1NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 518647876 OFDOHYBYLLFAOW-UHFFFAOYSA-N 492.651 5.942 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2Cl)c1 518690523 OGSLVWYMQLIOEC-QFIPXVFZSA-N 473.960 5.282 30 20 JKED O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)Nc1ccc(OC(F)F)cc1OC(F)F 518898440 CRVLEEANNGOTEH-UHFFFAOYSA-N 492.351 5.416 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCC(=O)N1CCCC1)c1nc(-c2c(F)cccc2F)cs1 520427659 UAHMWACLTVROHE-MRXNPFEDSA-N 483.565 5.293 30 20 JKED CCn1c(SCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)nnc1-c1cccs1 521498577 BMLGJAVFIMHESU-OAQYLSRUSA-N 489.626 5.079 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 521748565 WZQZNGXRSRZCBW-ZDUSSCGKSA-N 451.379 5.348 30 20 JKED Cc1nc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)sc1SCC#N 523276700 ZDKUQYFQWQWYEW-UHFFFAOYSA-N 469.975 6.298 30 20 JKED CS(=O)(=O)c1ccc(-c2nc(CSCc3ccc(-c4ccccc4C#N)cc3)cs2)cc1 552813936 QTNNHFQGHAUQIA-UHFFFAOYSA-N 476.648 6.186 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591037201 MLAPIGLENMVQBB-UYHMYPTGSA-N 497.480 6.527 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(Cl)cc2)nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 595986723 KUCUZIABHDNEQK-INIZCTEOSA-N 464.982 5.137 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)s2)cc1 603829751 PFJBOBZCRKZTPG-LJQANCHMSA-N 481.603 5.814 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2[C@@H](C)c2ccccc2)n(Cc2ccc(F)cc2)c1C 603917833 GGSASERGAXTRRA-IBGZPJMESA-N 488.592 5.096 30 20 JKED CCCOc1ccccc1Oc1ncccc1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 604038551 YYHFDQSCDSYCGO-UHFFFAOYSA-N 491.491 5.032 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(OC(F)F)c1 604142506 PBUINSPRWWRDAF-CQSZACIVSA-N 485.874 5.421 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 608864189 MXQUQKWJHXTTNM-UHFFFAOYSA-N 472.932 6.110 30 20 JKED CCC[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 608864625 KSNSXQKCEKMGNM-JOCHJYFZSA-N 472.511 5.479 30 20 JKED Cc1nc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)sc1SCC#N 609020173 GDXWMYJUCACUTJ-UHFFFAOYSA-N 465.535 5.539 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@@H]3C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 609056923 JEDBSXFDMQNEAF-JOCHJYFZSA-N 498.366 5.670 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609080590 JSVUGHIXYRQUFC-LJQANCHMSA-N 471.561 5.226 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C2CC2)cc1 609084770 FADWTTXQRQIJCS-VWLOTQADSA-N 473.960 5.305 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 609153534 RQNAKCMIFAXGPE-UHFFFAOYSA-N 453.546 5.638 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccccc1F 609370838 BACUEQYLRRNUQU-MRXNPFEDSA-N 467.595 5.395 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 609371704 TVIIIMHSYHIBOF-GFCCVEGCSA-N 450.511 5.564 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2SCCC#N)nc1 609375970 QTAQARKNQTZCAY-UHFFFAOYSA-N 487.610 5.598 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 612894598 BRPLUDGDDUMCDB-LJQANCHMSA-N 452.894 6.265 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccc2ccccc2n1 613292172 BIFXVDMOTCGOMT-NRFANRHFSA-N 470.326 5.740 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3csc(C)n3)n2)cc1 613318038 IKWMCVVJWJPIHQ-FQEVSTJZSA-N 461.637 6.666 30 20 JKED CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(Cl)cc1 613404622 UOQSTXJGBLWSHN-MRXNPFEDSA-N 453.880 5.884 30 20 JKED C=CCn1c(SCC(=O)N(CC(F)(F)F)C(C)C)nnc1-c1ccc(Cl)cc1Cl 613849608 YIULUDXXAOUSOX-UHFFFAOYSA-N 467.344 5.329 30 20 JKED O=C(Nc1ccc(Br)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539186 WGCMDGMUYHHYEI-OCAPTIKFSA-N 487.160 6.063 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1ccccc1Cl 644450378 FSMRKMVMKTYDGY-UHFFFAOYSA-N 463.390 5.471 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726407547 SLVXUZIFVYKSGD-FQEVSTJZSA-N 495.029 5.742 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@@H](C)c1cccs1 726418873 FZHKBFPMBYOMJI-WLFAEHHCSA-N 480.055 5.136 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)Cc2cccs2)cn1 726888421 MNRNRPGHEWPZOE-LAUBAEHRSA-N 494.642 5.052 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(CCc2ccccc2)Cc2cccnc2)c1=S 726965308 MEYNKJXGDKNDHW-UHFFFAOYSA-N 459.594 5.504 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1cnc2ccccc2n1 727258432 JIMUTEJYYGRVIN-UHFFFAOYSA-N 458.481 5.035 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc2Cl)c1 728121191 BRULOPYACAZHKJ-AREMUKBSSA-N 475.976 5.768 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1 728474993 HQVLXEZENJFRAH-UHFFFAOYSA-N 470.623 5.648 30 20 JKED CCOC(=O)C1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C/c2ccc(O[C@H](C)C#N)cc2)C1 728696885 HBDXJVRUWROOFC-XVKQMFEYSA-N 484.552 5.278 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776225 AKEIQGDDXMOZRF-JOCHJYFZSA-N 493.589 5.174 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CC#N)ccc1Cl 728874025 JJOGFDWARJAFHJ-HNNXBMFYSA-N 499.942 5.114 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Oc3ccc(-c4noc([C@H]5CCCO5)n4)cc3)c2)cc1 729109905 YGIJCXPECKJGSB-HSZRJFAPSA-N 453.454 5.471 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(NC(=O)Cc4cccs4)n3)c2)cc1 729375815 UTEXWXILZRXYJM-UHFFFAOYSA-N 474.567 5.231 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c(C)c1 730712160 JDEKDYVFXNXVOV-XMMPIXPASA-N 484.581 5.605 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 730942924 ZFJCMHJHOLTODT-GAJHUEQPSA-N 491.592 5.008 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)cc1Cl 730944162 RPHFWMCSDDEEGR-KSFYIVLOSA-N 495.004 5.465 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730945133 NTQIHLQXUTWGIE-HJPURHCSSA-N 494.567 5.644 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccccc1F)c1cccs1 731311259 AFDSAYVBSSAEKT-QGPWZHNMSA-N 497.617 5.225 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 731400880 WUKMNZUHMVOEPB-IBGZPJMESA-N 459.571 5.760 30 20 JKED CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)cc1OC 747066844 PXNYGCOIUCLASH-FNORWQNLSA-N 474.909 5.038 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1ccc(N2CCOC2=O)cc1 748582352 CWNQXEIMIWZTLT-UHFFFAOYSA-N 477.586 5.436 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(-c3ccc(F)cc3)n2)cc1 767218089 FLORYALKZKRCRM-UHFFFAOYSA-N 453.568 5.414 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)OCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)c(C)c2c1 800640007 VFJWHWXFGFQDNM-UHFFFAOYSA-N 480.948 5.328 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3ccccn3)C2=O)cc1 837383375 NDJMIRBXNLFVFI-AUSIDOKSSA-N 458.587 5.420 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 838094948 UURVHZRZZQHCIQ-CYFREDJKSA-N 488.613 5.510 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@H](C)c2cccnc2)C1=O 838536337 YOPSHPFJOCVVCF-IVZQSRNASA-N 496.539 5.090 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccco3)C2=O)cc1 838538968 UYVAQHQZFCOQQR-HXUWFJFHSA-N 455.486 5.027 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 841589110 FYJOTOLHDZKIHF-UHFFFAOYSA-N 499.914 5.278 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(C(F)(F)F)cn3)c2C#N)C1 844424630 JLYOMYIGCLCHET-ZDUSSCGKSA-N 479.524 5.370 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)cc1F 915116567 JYXRPGQXIYWYFD-QFIPXVFZSA-N 499.514 5.273 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1 915199760 LAUOBWQUTPBQHP-QFIPXVFZSA-N 459.962 5.307 30 20 JKED COc1cc(/C=C2\CN(C(C)C)C/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 916135920 XZIXKEGBQFSZKI-MFQOAVFDSA-N 478.372 5.182 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(OC)cc2)cc1 916215469 WKJKOFXTFSSOEY-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(Cl)c(Cl)c2)cs1 916249736 HPRKYVUBCKGBRN-UHFFFAOYSA-N 473.307 6.599 30 20 JKED Cc1sc2ncn(N=Cc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)c(=O)c2c1C 916310807 LAVXZWVVGVVHPI-UHFFFAOYSA-N 471.369 5.516 30 20 JKED COc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)ccc1OC(=O)c1cccs1 916618904 XZZZSQNFISPBBQ-UHFFFAOYSA-N 493.610 5.207 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)n2)cc1 916628271 OOMSNTXXWYZQOF-QFIPXVFZSA-N 479.561 5.524 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 916904066 VMPWJTZELBRYBZ-JOCHJYFZSA-N 499.533 5.030 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916905882 NXPDKFWENMRXFC-OAQYLSRUSA-N 483.549 5.962 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1-c1ccccc1F 916906179 CGYNBUHFZYOLIY-IBGZPJMESA-N 454.461 5.073 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1 916949121 MEIUKSMDJWKIFY-QMHKHESXSA-N 463.628 6.219 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccc(OC)c(Br)c2)cc1 916951191 XUESVQJALWLDAD-BEFAXECRSA-N 457.368 5.251 30 20 JKED Cc1ccc(C(=O)N[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C(C)C)cc1 916977202 MRLDQAHDEKHNAU-CTNGQTDRSA-N 451.979 5.403 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 917431161 ZLBNSZFCXLSSMR-SFHVURJKSA-N 466.010 5.899 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=Nn2c(S)nnc2-c2ccc(F)cc2)cs1 917545566 WMPFPGGZSNEQRZ-UHFFFAOYSA-N 472.958 5.050 30 20 JKED Cc1cc(C)c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)cc1C 917614024 XBALFJQEPGCHKE-UHFFFAOYSA-O 454.619 5.973 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1CC(F)(F)F 917662927 GQFWGZWDTJIQPB-GOSISDBHSA-N 498.958 5.237 30 20 JKED N#Cc1c(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)sc2c1-c1ccccc1CC2 917775063 WERKUSFTGVBCRT-DEOSSOPVSA-N 476.557 6.092 30 20 JKED CC(C)c1ccc(CSc2nn(CN3CCN(c4ccc(C#N)cn4)CC3)c(=S)s2)cc1 918729802 SBOBPOZFBMIXIR-UHFFFAOYSA-N 482.704 5.136 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 919825765 WYPAYMWAMDNYHN-UHFFFAOYSA-N 485.237 5.116 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CSc1nccn1-c1cccc(Cl)c1C 920105385 FANGHMVDCDOPGV-QGZVFWFLSA-N 462.962 5.308 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c2cnn(C(C)C)c2n1 920106516 QTAAXDHCWPJMOI-JOCHJYFZSA-N 475.552 5.983 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(C(C)C)cc2)no1 920353941 WYXFXHLHYITIEI-JOCHJYFZSA-N 480.565 5.406 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 920805554 DGIKCNWVYPKEMJ-CQSZACIVSA-N 484.509 5.118 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cc2)cc1 921010425 JBNIXMKRBINKLZ-UHFFFAOYSA-N 458.495 5.170 30 20 JKED COc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1[N+](=O)[O-] 921131586 LZUXYVQLXFDZAK-AWEZNQCLSA-N 478.313 5.289 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785793080 XUZXWAVICZWOHE-RWPZCVJISA-N 474.948 5.281 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785804588 NYFCSMMEFCRGEU-FQEVSTJZSA-N 481.637 5.124 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)cc5[nH]ncc45)CCC3)cc2)C1 1785807466 CWFPPEAKYIDRFV-UHFFFAOYSA-N 479.378 5.039 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)CC1 1785934874 HNYUDBFUYOKZLN-FQEVSTJZSA-N 496.652 5.098 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1 1786369214 UXZIRMOENGNQMY-UHFFFAOYSA-N 478.486 5.575 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)c(F)c3)CCC2)cc1 1786680334 ZJDCAYVLBTYHBL-UHFFFAOYSA-N 468.594 5.281 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)cc2)CCC1 1787110771 WDJRRUFEMNLPAB-UHFFFAOYSA-N 468.479 5.419 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cnc(C)s4)CCC3)cc2)c(O)n1 1787172845 LAYLEVDYLUIMSI-WYMLVPIESA-N 488.613 5.132 30 20 JKED Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1787320642 ZOSVCIMQNPPURU-UHFFFAOYSA-N 478.474 5.342 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)cc2)CCC1 1788375764 BKNVMKOKGCZPTM-UHFFFAOYSA-N 460.484 5.078 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cn(-c4ccccc4)c4ncccc34)cc2)CCC1 1788396442 RWXBQGGISWZFHX-GOSISDBHSA-N 470.598 5.092 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4c(Br)cccc4n3)cc2)CCC1 1789394531 KYZAEGHFRGQCSA-INIZCTEOSA-N 481.394 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(-c4ccncn4)noc3C)cc2)CCC1 1790026442 WPWAHPFURKPCOL-UHFFFAOYSA-N 473.577 5.180 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)cc2)CCC1 1790051952 IEEZIAPBBOTEJV-UHFFFAOYSA-N 491.632 5.464 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4OCCc5ccccc54)CCC3)cc2)c1 1790255692 HFIVAGZDRBHILS-AREMUKBSSA-N 465.553 5.010 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4CCSCC4)CCC3)cc2)cc(C(F)(F)F)c1 1790787722 SIOCVWXMTGECEU-UHFFFAOYSA-N 487.547 5.468 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4cccc(Br)c4n3)cc2)CCC1 1790860570 GVYCTMJNSOXPFW-AWEZNQCLSA-N 484.419 5.063 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791731941 MMEVGKRUDFRYPB-QFIPXVFZSA-N 495.664 5.351 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccn5nccc5c4)CCC3)cc2)c1 1792124814 JLFFXTMJLSMNJW-IBGZPJMESA-N 463.541 5.023 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)c1 1792240963 YGFVVZZIDLYJQT-FQEVSTJZSA-N 478.552 5.012 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(ccc4ncccc43)s1)C2 1793051684 YFGMGVSZQXTMKD-ACDBMABISA-N 459.615 5.470 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)c(C#N)c1)C2)c1ccccc1 1795574265 HGHZTABKQHFLBW-RDHZPSIESA-N 487.644 5.427 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)c1ccccc1n2CC 1799315856 PAZVVYGXAPZIMQ-KIHHCIJBSA-N 469.629 5.835 30 20 JKED CCOc1c(F)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1Cl 1800592173 GQZLZNOCSHMZEA-KQLYMOGASA-N 483.971 5.070 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2c(Cl)cccc12 1801105689 CONVAOKSHTZWDQ-REPLKXPHSA-N 470.089 5.124 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1802502589 JVAQJFRVJDMYAH-KNQAVFIVSA-N 491.529 5.552 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cc(Cl)sc4Cl)CC3)C2)cc1 1804943489 QPRFQTJQOJPBRF-UHFFFAOYSA-N 476.429 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1805066480 NXISMBODJZGHEN-BKMJKUGQSA-N 488.607 5.528 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cnn(C(C)(C)C)c4Cl)C3)CC2)c1 1807685654 SMEFIIXZBOHYCN-IBGZPJMESA-N 496.055 5.077 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1809492522 ZMPCXZIHOSDCCT-XHYPSFNUSA-N 469.585 5.315 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810175313 VHEPHTMQFUNKRX-YCRNBWNJSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1810495187 KCFJLNQHKSSJAP-QUCCMNQESA-N 477.527 5.314 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1810503451 QCLSHLSCANXACD-REWPJTCUSA-N 454.014 5.355 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)CC1 1811368604 SPOLSFPAPLPYJS-OIMINJBOSA-N 472.633 5.074 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1811953802 UOMVELZGCIYIOE-ZEQKJWHPSA-N 487.003 5.363 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@@H]1c1cccnc1 1812219493 ZHRQFYKIKBULOK-JNMBUGSCSA-N 482.584 5.355 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1812676227 NCNBUVHROUYYCD-OXQOHEQNSA-N 482.358 5.228 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1812783241 BKDBECUHEJSIKO-AMOMVJEUSA-N 486.660 5.198 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1812986791 OYUXTKSCKNVVDI-BWKNWUBXSA-N 498.092 5.172 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCc3ccc(C(F)(F)F)cc3)[nH]n2)C1 1814391882 BNOWDOZKFCAQOP-NRFANRHFSA-N 474.527 5.410 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)[nH]n1 1814444101 UAQBJCNJAQIVAX-UYAOXDASSA-N 489.661 5.088 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1 1815847402 ZIBWANDDCOXHOT-KGLIPLIRSA-N 487.050 5.400 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817773726 QUOFLLDBAUJXNQ-SBUREZEXSA-N 485.613 5.249 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)n[nH]1 1818161084 BBXZTAIBQHTPDD-OAQYLSRUSA-N 490.633 5.311 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1)C(F)(F)F 1818596477 MKBUUDZJRVPKLR-OAHLLOKOSA-N 466.460 5.188 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)[nH]c12 1819024661 VAIQSIVZCLDAOL-QHCPKHFHSA-N 489.696 5.556 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3s2)n[nH]1 1819075629 PQKSOZMAJKSLLD-GOSISDBHSA-N 499.434 5.496 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(-c3cnccn3)c2)n[nH]1 1820215605 MIDWDLLYUISZTN-QHCPKHFHSA-N 472.593 5.165 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)[nH]n2)c1Cl 1820218950 ICLRTUNWQOQPAR-NRFANRHFSA-N 472.936 5.036 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820220013 FDXBSCXKLARKRZ-QFIPXVFZSA-N 491.979 5.343 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)C(=O)CC3)n[nH]1)c1ccccc1 1821447880 ZODFDBWIHMIHST-BVAGGSTKSA-N 494.595 5.042 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1)C(F)(F)F 1821994234 BYDMFNDXTLGOTG-OAHLLOKOSA-N 479.261 5.280 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ncccc34)[nH]n2)c1 1823215050 MCHSJKJVQBVSFI-AVRWGWEMSA-N 478.556 5.205 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)c1 1823216251 RMEXNRXPSLGUQU-VLIAUNLRSA-N 497.933 5.588 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)ccn3)[nH]n2)c1 1823218338 QQQCBPREXKTIOJ-QVKFZJNVSA-N 496.493 5.070 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 1823286777 JTEOZXTUXLIJHR-DVECYGJZSA-N 473.577 5.184 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1)C(F)(F)F 1823308510 ADPJDFWYSSMKAC-OAHLLOKOSA-N 494.823 5.506 30 20 JKED CC(C)=CCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)sc2C1 1823745584 VHXDHULSRLUSQS-QGZVFWFLSA-N 476.524 5.006 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c1 1824053790 GUPZWEYCRFRGLN-VWLOTQADSA-N 464.009 5.078 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1826311034 SNIHNVOAERCCLT-WUFINQPMSA-N 471.645 5.304 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)CC1 1827264950 AGKABJHHAPRJFU-XZOQPEGZSA-N 478.662 5.207 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 1827330050 QXJHRTPKMROANZ-GDLZYMKVSA-N 492.623 5.476 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)CC1 1827728669 BZCAEVTZESHTIQ-LADGPHEKSA-N 492.689 5.515 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1828828221 FRLXSZTUNZPBIR-AHKZPQOWSA-N 471.645 5.750 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1828830638 VWJPSLSWMAOZRK-DNQXCXABSA-N 489.701 5.022 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1 1828879016 ZOPPYTKOJUENER-JQOSAHAQSA-N 460.709 5.175 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Sc2ccccn2)CC1 1829070049 GJDIKYZDOFCEAC-IRLDBZIGSA-N 457.684 5.174 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829491681 DFWORLJJAWKSEP-NAKRPHOHSA-N 471.645 5.750 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1830057147 IJUPAZICXAEQEF-JHUUHBRDSA-N 478.658 5.544 30 20 JKED Cc1cc(C)c(NC(=O)OC(C)(C)C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC#N)CC2)c1 1830802263 OBVURJNJZSTRBP-QHCPKHFHSA-N 496.652 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1831015050 GETNEENWUHTFLA-JOCHJYFZSA-N 485.072 5.522 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177923 KFZZQFNITTVMAH-VWLOTQADSA-N 495.570 5.006 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1831445542 CAFNKDWBAWBWOH-OAQYLSRUSA-N 463.956 5.266 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831844010 YIFGNEBSHDCPSB-JXFKEZNVSA-N 461.027 5.152 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1831948577 PDFVVJLRRJEIIJ-HSZRJFAPSA-N 491.047 5.418 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1832093042 TUXJDZSFQCPTEQ-QHCPKHFHSA-N 493.614 5.645 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832960414 JQVUJGOTMIJYPN-GMTSLGDESA-N 477.649 5.092 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CC1 1835683021 HBEDCQSGISWNRN-HXUWFJFHSA-N 496.454 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1837683322 DOBMENLFYIJQEP-LBNPDIFZSA-N 480.693 5.583 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)c1C#N 10711872 BNKYXJQONNHRGF-UHFFFAOYSA-N 482.562 5.190 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(Cl)cc2)cc1 10831886 INUSPBNFQWUSAM-UHFFFAOYSA-O 464.825 6.548 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)nnc1-c1ccccc1OC 14082570 WYLWTXRJNVGWQW-UHFFFAOYSA-N 491.642 5.611 30 20 JKED N#CCC[C@@H](C#N)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 15233742 PZIIITHZOBBNFL-SFHVURJKSA-N 476.656 5.764 30 20 JKED CCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)Nc1ccccc1C(F)(F)F 16376117 NSJSSOQQYXDRNY-UHFFFAOYSA-N 492.567 5.197 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cccc(OC)c1 20170757 DLOCKQXHZQSTKW-MRXNPFEDSA-N 477.615 5.383 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccccc1C(C)C 21668316 MABAZIAZYSZMHX-KRWDZBQOSA-N 454.571 5.425 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccoc1C 22082806 BUTRBBXNNLRUMC-GFCCVEGCSA-N 481.456 5.079 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 22690201 WWMLKVCOMUKBPD-UHFFFAOYSA-O 479.544 6.180 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(C)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 27170830 ZRGIRTVQPILNBO-UHFFFAOYSA-N 465.381 5.294 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 59777974 XLQCKMMMJIMKEZ-UHFFFAOYSA-N 461.410 5.243 30 20 JKED C[C@H]1CN(Cc2cccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)CCO1 302974009 GUGQLBQQXQBWQG-NRFANRHFSA-N 471.626 5.001 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)ccc1I 303315584 SCBXKTKAKLUFEC-LLVKDONJSA-N 456.736 5.449 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1cccc(Cl)c1 409568606 PSSYMGKNOGZNTA-UHFFFAOYSA-N 494.045 5.747 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1c(Cl)cccc1Cl 481853408 CMMZBWRUDWXCDT-LLVKDONJSA-N 461.259 5.117 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 489477700 PGERYLVSWTVZON-UHFFFAOYSA-N 483.371 5.467 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 490428014 BYZTYICQJQPSGJ-UHFFFAOYSA-N 492.583 5.070 30 20 JKED C=CCN(C(=O)CCCc1nc2ccccc2s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491074933 KPNVRYPDGVOHRX-UHFFFAOYSA-N 497.667 5.365 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1F 501607665 QYYLMYQSTXRNIP-CYBMUJFWSA-N 481.380 5.608 30 20 JKED Cc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c12 503572929 QJMRSNOYGLNNQL-QFIPXVFZSA-N 470.960 5.083 30 20 JKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)S(=O)(=O)Cc1cccc(C#N)c1 507377861 DVEYYNXBJIYINJ-UHFFFAOYSA-N 491.016 5.085 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 509020090 CHSVKYULGKFOLJ-UHFFFAOYSA-N 475.608 5.794 30 20 JKED COc1ccc([C@@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC 509054247 CODCWZCFGJOWME-FQEVSTJZSA-N 453.608 5.072 30 20 JKED COc1cc(C)c(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 510023691 MPSKJHGJJPVNKF-JOCHJYFZSA-N 463.965 5.985 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 511838331 NQWCJXNYXSDPPJ-HRFSGMKKSA-N 467.569 5.075 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)cc1 513655864 VHEHZSBUXOPWPC-QGZVFWFLSA-N 457.511 5.228 30 20 JKED C[C@H]1CCCN(c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2[N+](=O)[O-])C1 514030590 IAFCTAKQWUCPIJ-INIZCTEOSA-N 461.547 5.002 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)nnc1-c1ccc(Cl)cc1 514575667 HXYIFMQJJGSXTA-KRWDZBQOSA-N 471.026 5.541 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cccnc3Sc3ccc(Br)cc3)CC2)c1 520546714 VUXWARSNEQHVRA-UHFFFAOYSA-N 494.414 5.551 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccccc1SC[C@H](C)C#N 520813455 HJNSHJWXDYZKGT-OAHLLOKOSA-N 457.024 5.817 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 521733093 FQQJZMOFAPHXDT-QGZVFWFLSA-N 492.066 5.212 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 524675443 FEDOQGQSKZRTNK-JXFKEZNVSA-N 477.552 5.799 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 557728936 ZRHSTTSDMKTQPS-OALUTQOASA-N 469.630 5.245 30 20 JKED O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 591518369 PUMVDXXYMFDHKJ-IUCAKERBSA-N 485.322 5.392 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](Cc3ccccc3)c3ccccc3)c2)c1 603701938 NFVKSBXVKFXOFB-MUUNZHRXSA-N 475.548 5.176 30 20 JKED CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 603766690 TZQZCUOJCKYZQI-QFIPXVFZSA-N 452.963 5.430 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c2)cc1 603828309 CEKQDRYLIJHDDT-JOCHJYFZSA-N 482.609 6.353 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2ccccc2c1Br 609369848 NYXHCEMINHWLRQ-HNNXBMFYSA-N 455.377 6.014 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccccc1Oc1ccccc1 609404133 VUPRFGIEHIPYTM-UHFFFAOYSA-N 499.514 5.758 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)cc2)c1 609434173 AATUELFXWRKKEJ-UHFFFAOYSA-N 474.524 5.125 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 612941723 RLCQSAGKIUNATK-INIZCTEOSA-N 471.376 5.778 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)cc1 620258775 UJGQHTARDFUBBZ-QGZVFWFLSA-N 452.942 5.170 30 20 JKED O=C(NCCc1cc(Br)ccc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620369300 ISDAWLQXBWMUQA-GHMZBOCLSA-N 479.234 5.339 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N(CC)C1CCCCC1 645079432 DERWGKIJGPLEOD-QGZVFWFLSA-N 463.047 5.358 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cn1 726116721 JISUIYRBIQLAGD-VWNXMTODSA-N 473.602 5.015 30 20 JKED C=CCn1c(SCC(=O)OCc2ccnc(Cl)c2)nnc1-c1ccc(Cl)cc1Cl 726198772 UCKQFWKTTSXNPS-UHFFFAOYSA-N 469.781 5.322 30 20 JKED Cc1nc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)nc2ccccc12 726403167 ZFOBHNROESWRKS-QHCPKHFHSA-N 499.571 5.238 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@@H](C)Cc2ccco2)c1 726405188 KZQVYTJVQNAAPD-AVRWGWEMSA-N 499.592 5.055 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(F)c2)cc1Cl 726407101 OHUVBFUOWHFRKI-JOCHJYFZSA-N 492.963 5.511 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@H](C)c2cccs2)cc1 726419039 BQCSESIZEMHSIB-NSJWOJMJSA-N 479.627 5.347 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccco1)c1cccs1 726420217 HTFHWPSISIMVIT-ZIAPORJASA-N 475.542 5.209 30 20 JKED COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 726696362 NXTJJIZPLULJQP-GOTSBHOMSA-N 460.965 5.404 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c1 729145166 JGIIFUMIFXVSLP-HXUWFJFHSA-N 464.616 5.229 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc1 729176744 MOVSEVRTKHIOBV-XZOQPEGZSA-N 461.974 5.149 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2nc(CC)cs2)ccc1Cl 729460987 AAOUSKCNVLSYKI-UHFFFAOYSA-N 496.441 5.646 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ncccc2C)c1 729631476 JBKJUARXMDZWJX-HSZRJFAPSA-N 489.000 5.185 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCc3c(C)cccc32)cn1 729631857 MBPYUSYPUHAWMN-DHIUTWEWSA-N 486.597 5.046 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2ccccc2)c1 729669547 GZVRQSDOTKUDML-UHFFFAOYSA-O 457.531 5.072 30 20 JKED N#C[C@@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 729890074 WYIPIFKHIOJJTG-KRWDZBQOSA-N 478.430 5.195 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCC3)C2=O)cc1 730459926 PJHXTSGVGZTNLS-FQEVSTJZSA-N 487.528 5.003 30 20 JKED N#CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)cc1 730681526 NBTRVKBZSCLTAQ-UHFFFAOYSA-N 461.521 5.178 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1)O[C@H](C)C2 730685706 BIIDYEHCZJETQZ-VAABDQJSSA-N 460.574 5.373 30 20 JKED COc1cc(C#N)ccc1OC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 730739237 ACSDEULTOTUBBZ-UHFFFAOYSA-N 490.747 5.058 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1 730943601 HDCGXZANNZNVFK-GAJHUEQPSA-N 476.577 5.505 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(Br)cccc2[nH]1 731077960 QEBQDTFUYRUXKU-CYBMUJFWSA-N 472.364 5.120 30 20 JKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 731078462 OBVDLMAZMNNDJQ-YLQKULKDSA-N 462.493 5.542 30 20 JKED N#CC1(NC(=O)COC(=O)c2oc3ccccc3c2CSc2cccs2)CCCCC1 742979924 HUAVJLBEZFIXNW-UHFFFAOYSA-N 454.573 5.286 30 20 JKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 745413824 QOSLAVCVKYQFMJ-UHFFFAOYSA-N 470.573 5.016 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(C[C@H]2CCCO2)c1=S 746033183 OOFSIEKQTUMJAA-HXUWFJFHSA-N 453.637 5.061 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S 746050653 WRAOQLVANXUIRT-UHFFFAOYSA-N 451.596 5.157 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCOC(C)(C)C)C2=O)c1 746695035 BCGOKQBKDCUDLK-OAQYLSRUSA-N 453.608 5.079 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 746697833 MWPVZPNHOBAASY-HXUWFJFHSA-N 477.989 5.256 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1F 747602195 YNZOGUXKQHKGLY-SFHVURJKSA-N 492.960 5.235 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1CC(F)(F)F 748034801 WJIKVHDDFNMIDX-INIZCTEOSA-N 465.566 5.869 30 20 JKED COc1ccc(N2C/C(=C/c3csc([N+](=O)[O-])c3)C(=O)/C(=C/c3csc([N+](=O)[O-])c3)C2)cc1 750916228 KSCUCWRXTJPNNE-JTSIYALXSA-N 483.527 5.191 30 20 JKED CCOc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)ccc1OCC(F)(F)F 750922442 QWAQQOORUFEYPU-UHFFFAOYSA-N 479.524 5.257 30 20 JKED CON=Cc1ccc(C(=O)OCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)cc1 770260155 NGKKLDLBQZCNHD-UHFFFAOYSA-N 477.464 5.184 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 837383382 NDJMIRBXNLFVFI-WMZHIEFXSA-N 458.587 5.420 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3ccccn3)C2=O)c1 837806645 USJHUZJQINVRHF-OPAMFIHVSA-N 495.004 5.465 30 20 JKED Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)c4nc5nccc(C)n5n4)cc3)sc2c1 892984760 WGSJXZWYEZEFFH-UHFFFAOYSA-N 499.625 5.285 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1OCC 915099538 WAOJIYPFMSPKSP-CQSZACIVSA-N 459.365 5.275 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 915353796 QROVBMICGCLPML-GFJWVSBCSA-N 482.628 5.235 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCCCC2)cc1 915784781 TWOXMLWCBKNIRK-SVBPBHIXSA-N 451.570 5.718 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OCc1cccnc1 915958782 WJJHJOHFVSYPQU-UHFFFAOYSA-N 486.384 5.309 30 20 JKED Cc1nc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)sc1SCC#N 916090187 XVVZZTULWJNJKG-UHFFFAOYSA-N 474.567 5.306 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 916209936 VOPQOXHFJSTABA-LJQANCHMSA-N 481.952 5.005 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccc3)C2=O)c(OC)c1 916211124 AMSRIHAEOGCLRV-XMMPIXPASA-N 489.597 5.173 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)[C@H]1c1ccc(OC)cc1 916846294 PCCKITMXFHCGNI-MZLICYQSSA-N 461.587 5.261 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916885753 BAWRFLOFZABSEZ-UZBHALLDSA-N 474.838 6.034 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916910023 PIINDPAJZDHPIQ-MRXNPFEDSA-N 459.811 5.507 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 916927021 COIGBQKSHNQWGG-RLFYNMQTSA-N 472.372 5.207 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1 916932219 SFRKSRLKTUWWJO-OAHLLOKOSA-N 459.285 5.135 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 916955574 RTNIYLIDPMJQDR-KBMIEXCESA-N 478.552 6.187 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)n2)cc1 916975188 VWSMTEBUXZIVHP-NHCUHLMSSA-N 461.587 5.431 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 917039863 GDRUUVOBSAMOAM-OAHLLOKOSA-N 452.530 6.266 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc2ccccc2n1C(F)F 917041813 XHSDFLHRGGWAMY-FQEVSTJZSA-N 472.470 6.528 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2)cs1 917427743 IXXIQTQQRUYRBQ-AEFFLSMTSA-N 482.968 5.723 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2o1 917510147 SMQWZZKZXOOLMR-LJQANCHMSA-N 474.314 5.262 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc(Br)c1OC(F)F 917517774 KLVOUXLKDBSPPI-FPYGCLRLSA-N 493.304 5.268 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3ccccn3)C2=O)c1 917700986 OQFABMOUJDPIHN-AREMUKBSSA-N 494.620 6.012 30 20 JKED CCc1cc(C#N)c(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)s1 917878511 QFNWQNLZPKYSGB-UHFFFAOYSA-N 463.943 5.028 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CCCCO2)ccc1Cl 918393792 DDPMRLCROMSRKE-HXUWFJFHSA-N 497.444 5.016 30 20 JKED C=CCOc1cccc(NC(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1 919872872 FYYJAHRMOFNZQU-UHFFFAOYSA-N 451.567 5.072 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(C(C)C)cc1 920353223 DPXJMDGNEOBCSH-HSZRJFAPSA-N 494.592 5.714 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1nc(-c2c(F)cccc2F)cs1 920804577 VXXZXYWSEGLPDS-HNNXBMFYSA-N 468.481 5.089 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920806668 NDUUAKOKMZGCPS-MRXNPFEDSA-N 482.537 5.251 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 920871273 WIZYPQAGVAGWPJ-MBSDFSHPSA-N 461.587 5.083 30 20 JKED C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)N(CCC#N)c1ccc(F)cc1 928967359 ONELUXDWIUTIRF-AUSIDOKSSA-N 478.593 5.296 30 20 JKED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)C2)C1 1780170670 KATLXKCYHBIFQH-SANMLTNESA-N 490.566 5.000 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)C1 1783038645 NCJKWPQCSPILIA-RPLLCQBOSA-N 485.068 5.140 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C[C@@H]21 1784033052 VTFALDXDUXBUGE-FSEMWLHASA-N 499.655 5.176 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(-c6nccs6)noc5c4)CCC3)cc2)C1 1785807883 TWAIQDXGMPCWIG-UHFFFAOYSA-N 484.581 5.665 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)CCCN(C(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785808715 BIEDXJUHDPNERG-MHZLTWQESA-N 481.637 5.124 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CCC2)cc1 1787886811 XNKWPCVJVYIERF-UHFFFAOYSA-N 463.541 5.281 30 20 JKED Cc1cc(C)nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c1 1788350592 TXEJUSNEMDFISY-UHFFFAOYSA-N 458.949 5.285 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3c(F)ccc(Cl)c3F)CCC2)cc1 1789579314 BFNAYDICEIPMAO-XODNFHPESA-N 471.891 5.078 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc(F)cnc3Cl)cc2)CCC1 1789716055 CFXAOMYKPBWFCB-CMDGGOBGSA-N 483.952 5.122 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3)CCC2)c1 1789795372 SVBFNDQAFYHIMY-UHFFFAOYSA-N 493.542 5.004 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789934535 FAUUAWJOSFZGBS-VWLOTQADSA-N 469.585 5.069 30 20 JKED CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1790179647 BUIGPLMLIWVPRA-UHFFFAOYSA-N 469.589 5.154 30 20 JKED COC(=O)Nc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)cc(C#N)c4)CCC3)cc2)c1 1790590108 QYCDXPGQONYMGS-UHFFFAOYSA-N 482.540 5.107 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-n4cccn4)cc3Cl)cc2)CCC1 1790603877 HFIXYDVTGKKELV-UHFFFAOYSA-N 493.007 5.256 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)CCC1 1790815014 LFTFTOBUTVFGFE-UHFFFAOYSA-N 483.568 5.473 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791008338 HHNHMIHFYIETIK-UHFFFAOYSA-N 496.563 5.843 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4C=CS[C@H]43)cc2)CCC1)c1ccccc1 1791089347 PJJFBXRIESFRAN-ZYQDXHPFSA-N 456.611 5.193 30 20 JKED COc1cc(Cl)ccc1CC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1791148898 IPEMCFYDYJGVEZ-UHFFFAOYSA-N 487.987 5.140 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791589279 SBIYSGRJWVHDOC-UHFFFAOYSA-N 489.616 5.304 30 20 JKED COc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c1 1792104543 ANBWBZGDLRPHJN-VAWYXSNFSA-N 478.545 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccnn3C)c(Cl)s1)C2 1798593032 GOHZJPCGZTYZQC-BJWYYQGGSA-N 475.058 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)c(F)c2)c1 1799343627 PPNOXDRRGBPEGH-QEIWAGNOSA-N 467.544 5.238 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)c(F)c(Cl)c2)C3)cc(C(F)(F)F)c1 1800744173 KQAZWLYZZUTPKE-BJWYYQGGSA-N 497.851 5.074 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2)C(F)(F)F 1801701190 DXPCMWMAWOECAG-ACDBMABISA-N 479.502 5.272 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(Cc4ccc(F)cc4)c3)[C@H]2c2cccnc2)C1 1802415049 DLYUJLAPIQGMLK-LSYYVWMOSA-N 483.587 5.097 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1802492640 RNEFIQXBSDUKQS-GJZUVCINSA-N 498.067 5.592 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1803089589 CHNVGAXZKQRXNW-HFZDXXHNSA-N 489.019 5.371 30 20 JKED Cc1c(Cl)ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)c1Cl 1803536861 HLRSQVNQVQCGJC-MUJYYYPQSA-N 476.791 5.393 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1804757841 NCNWJWTYGFQSNQ-UHFFFAOYSA-N 489.685 5.131 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CC2)C1 1805457530 BRTSPOMLXSLVIX-MHZLTWQESA-N 477.693 5.041 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)oc2ccccc12 1809169094 FKGNWVGTZRSHCT-KKCLFWLVSA-N 492.579 5.397 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1810178580 QWMMQQRSRCHFMC-YZUZCNPQSA-N 485.550 5.497 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1Cl 1811419071 DYOZTWSGUKIPEL-WXVAWEFUSA-N 494.982 5.393 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1812590725 STRDNQZAPRIRHG-SNYIIPAISA-N 470.013 5.054 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1813225963 HKOCXKSZLSZTMW-LITSAYRRSA-N 497.639 5.292 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1813832352 ZCJOQMPRIINTIX-NTKDMRAZSA-N 493.394 5.202 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1Cl 1813864095 URXLGKSNKXXZGD-GJQIQAERSA-N 487.003 5.304 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814377231 GMYQTQQPCFJLCD-KEWFZMHCSA-N 473.602 5.071 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)cc1 1814379335 QENIGAIYGIVJIP-RUZDIDTESA-N 467.573 5.097 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)[nH]n2)C1 1814398597 NDDGUMMTXOGFKI-HXUWFJFHSA-N 472.511 5.119 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)[nH]n1 1814440507 UESPHLPIGPJSKR-QHCPKHFHSA-N 477.609 5.127 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[nH]n1 1814571280 WMLGBAFTOKKXKD-ISKFKSNPSA-N 491.542 5.463 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2occc2Br)n[nH]1 1818203654 GYWVLDOKSGLSKF-MRXNPFEDSA-N 463.376 5.064 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)oc3cc(O)ccc23)n[nH]1 1818659286 CAEWCYPAFLQADJ-GHTZIAJQSA-N 462.550 5.244 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@@H]4CCC[C@@H]5CCCC[C@H]54)n[nH]3)c2c1 1818930832 DAUYIQYLAPSIOQ-UECWXEIQSA-N 499.619 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)[nH]n1 1819305008 BJLJPHKUCXFORH-OFNKIYASSA-N 460.578 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2Cl)N(C)C)[nH]n1 1819309924 LDOFIQRLGAATED-OUOWLKGYSA-N 484.044 5.127 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1)c1ccc(Cl)cc1 1819481672 ZDQVTKADSFFHMO-HYISASTESA-N 496.011 5.207 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)c(F)c(OC)c2F)[nH]n1 1819556158 WROKFCPVFJYQPL-QGZVFWFLSA-N 490.551 5.003 30 20 JKED COc1c(C)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1C 1821227690 CPUYMJWWNIKQID-NTKDMRAZSA-N 485.588 5.282 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCNc3ccc(C)cc3C)[nH]n2)c1 1821324928 MCALICVIEHCJAA-VWLOTQADSA-N 484.604 5.015 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1821924731 GVWOTLPKLYNIEU-QVKFZJNVSA-N 451.958 5.129 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 1822282461 YNGFZYZQLBOHAI-IBGZPJMESA-N 493.460 5.360 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1)c1ccc(O)cc1 1822466463 DWJGHOVTWZJMMI-SQJMNOBHSA-N 496.567 5.365 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc(O)cc1 1822466752 MMFKZXWSYKCAKI-AIFWEEIASA-N 488.632 5.131 30 20 JKED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1cccs1 1822709992 OKPTUHQRZPIZNJ-AUUYWEPGSA-N 467.982 5.106 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)[nH]n2)c1 1823215269 PMOQNSHATKEBKV-BTYIYWSLSA-N 472.574 5.199 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1 1823813078 YVKRESUVYMLNCY-RUZDIDTESA-N 494.035 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)CC1 1824139295 JSQJUOWQKOVINW-GMQQYTKMSA-N 464.650 5.187 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 1824139558 NLNNKNZZLZOITG-FQLXRVMXSA-N 491.720 5.287 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)cc1C#N 1826534842 SBMAUVVVEAKHBN-VGOCBJJDSA-N 485.628 5.292 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826781452 OUXOVQNGMDLKAO-MHCUWBFOSA-N 489.704 5.753 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1827364385 CIPDTNKDRMJQLE-QFQXNSOFSA-N 475.633 5.203 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc3c2CCCO3)CC1 1827383666 MBLNXMLZCHRHDU-JOCHJYFZSA-N 458.668 5.299 30 20 JKED Cc1ccc2[nH]c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)cc2c1 1827697275 LOMUYEFYHIWRQB-OXJNMPFZSA-N 483.597 5.100 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)c21 1828274922 QYRRCLFBHGFRLW-VWLOTQADSA-N 489.019 5.250 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1828397187 KIOAMPACRNFAPW-LUKWVAJMSA-N 463.087 5.018 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 1828826604 IWVXKPFJOBVMEP-VXKWHMMOSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828829083 XPVFVWOZOYTRPO-RDGATRHJSA-N 451.586 5.309 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829010979 KOLBTOACTXBGAR-XCTIFMKPSA-N 473.617 5.552 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)CC1 1829068146 HSTZGQMLVPKBRF-DHIUTWEWSA-N 489.701 5.068 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)c1 1829954800 ODMBBSRQLSYHLZ-QHCPKHFHSA-N 475.589 5.459 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829973978 OJKYPGWGAMSGKN-JOCHJYFZSA-N 467.437 5.210 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)cc1 1830013147 SRHZAKYJMWBHPB-RDPOUHODSA-N 496.655 5.170 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1830127760 OXWFQBIOZZVZPF-QHCPKHFHSA-N 474.686 5.133 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830407301 GTFARAVWNWVGHU-RDGATRHJSA-N 496.758 5.243 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c1 1830717299 JTGYCVJMURDDSZ-XMMPIXPASA-N 467.972 5.206 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)ccc2[nH]1 1830723175 XYHIXGFHCQRAJX-AREMUKBSSA-N 489.019 5.549 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831374530 FNZRPEAPQZIDDA-KCWPFWIISA-N 483.656 6.052 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)CC1 1831859578 DERDFJGFADZPMX-QHCPKHFHSA-N 469.626 5.151 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1)c1ccc(O)cc1 1831925228 ZTTQAPKTTMOQOJ-VWNXMTODSA-N 492.582 5.242 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1C#N 1832704742 SBAOYMYJCYDUEX-FXAKWJDQSA-N 491.676 5.405 30 20 JKED C=C1CC(C(=O)N2CCCC23CN(C(=O)c2ccccc2Oc2cccc4ccccc24)C3)C1 1841019702 YNONCCPUHFTZFI-UHFFFAOYSA-N 452.554 5.415 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)C1 1844626833 QOZIXJRHLXRLQI-HSZRJFAPSA-N 453.586 5.192 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)c1 1845484685 QXDWGVAHGYMWCD-UHFFFAOYSA-N 479.983 5.142 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](F)c4cccc(F)c4)c2)C3)c1 1845486239 SYBCOUJDUNZYAI-RUZDIDTESA-N 489.497 5.026 30 20 JKED C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1Cl 9826163 NHNCWUIJDMQAPA-UHFFFAOYSA-N 459.402 5.115 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)c(C)n1C 10172389 JMJKXBKEUREMHH-UHFFFAOYSA-O 472.590 5.478 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(F)cc2)cc1 10830038 JOMIGULEHWKJKM-UHFFFAOYSA-O 455.644 6.746 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1 11606921 QVKWKZICSWMHNX-DEOSSOPVSA-N 474.630 5.385 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)o2)cc1 14774132 QNKUGVOBSNKKNI-UHFFFAOYSA-N 473.529 5.350 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1 15276859 YLPLGNQTKGOXLR-UHFFFAOYSA-N 487.393 5.356 30 20 JKED COc1cc(/C=C(\Cl)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)ccc1OCC#N 15352791 GVAJSEFDBIZIPR-ZROIWOOFSA-N 455.948 5.361 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1OC 16863486 JEEIZWCKGOHHBH-AWEZNQCLSA-N 473.396 5.022 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2sc3c(c2c1=O)CC[C@H](C)C3 17534981 RNFNOZJEJFXBEC-QWHCGFSZSA-N 470.645 5.734 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(COc3ccc(Cl)cc3)o2)sc2c1CCCC2 21440382 VFDAMRAWXQUICY-UHFFFAOYSA-N 474.995 5.235 30 20 JKED C=CCN(C(=O)c1ccc(Cn2cncn2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 21897945 IGWRWAMGRKGUQK-UHFFFAOYSA-N 470.385 5.590 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1oc2ccc(Br)cc2c1C 21945040 DVTFKIBOZYRHGK-OAHLLOKOSA-N 485.334 5.005 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)CC1 22078547 UJTANOUACWIBKA-VTPMOLMCSA-N 488.057 5.257 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1cccc(C)c1 22093421 UZKHUASSGDICJD-CQSZACIVSA-N 491.495 5.486 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)nnc1-c1ccccc1 24727721 YUBUXFZVBINPDQ-DEOSSOPVSA-N 454.599 5.323 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 32617532 BCPPQMGMUSBFDM-UHFFFAOYSA-N 473.989 5.210 30 20 JKED C=C(C)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 36187126 ALJCFSACFNMLCW-UHFFFAOYSA-N 451.983 5.054 30 20 JKED O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)c1ccc(-c2ccc(F)cc2)s1 45355359 KBNQEEZELLAKFH-UHFFFAOYSA-N 471.579 5.057 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 72074649 FWLLXIGUDFWKMX-FQEVSTJZSA-N 470.573 5.789 30 20 JKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c1 104605907 XODRXBMTQMZSRV-UHFFFAOYSA-N 464.521 5.443 30 20 JKED Cc1nc(NC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)sc1SCC#N 303001829 ZSLQPCALHAHIAR-QGZVFWFLSA-N 474.405 5.589 30 20 JKED CCN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)[C@H](C)c1ccc(C#N)cc1 480058749 JFOMLEKOHJAOPI-QGZVFWFLSA-N 476.374 5.796 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 480975787 WTNONTNZQANFAL-DEOSSOPVSA-N 459.521 5.118 30 20 JKED COc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 483461464 BYRCPFDUNCLQIK-UHFFFAOYSA-N 469.925 5.342 30 20 JKED Cc1noc2nc(C(C)C)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c12 487290696 ONIQAQOXJADUDW-UHFFFAOYSA-N 485.491 5.845 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccc(F)cc1 496568562 FUJRSOUUOZVAMH-UHFFFAOYSA-N 491.617 5.688 30 20 JKED CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 497523052 CWINSTRDRSSLRG-RUZDIDTESA-N 496.592 5.389 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1 498081179 AKBPXUCQNLUGFS-LJQANCHMSA-N 470.598 5.131 30 20 JKED C=CCn1c(SCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)nnc1-c1ccc(Cl)cc1 498435578 OYXQDTNKNGDJAP-UHFFFAOYSA-N 491.020 5.190 30 20 JKED CCCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl 498732669 FCBYPCPGEAXBBT-UHFFFAOYSA-N 453.886 5.066 30 20 JKED C=CCc1cc(CNC(=O)c2oc3ccccc3c2CSc2ncccn2)cc(OC)c1OC 499616627 JDORDSFZKGVPMP-UHFFFAOYSA-N 475.570 5.191 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(F)c2)c1 500091996 OEHQOAOHMYLYLG-UHFFFAOYSA-N 474.941 5.121 30 20 JKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 501062703 YUICDZCEMQNZHD-CYBMUJFWSA-N 459.487 5.513 30 20 JKED COc1cc(F)ccc1NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503203450 IFQIVFNHWBOTCO-UHFFFAOYSA-N 482.743 5.358 30 20 JKED CCCC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 503567182 NOCMWCCOXNBTTR-AZGAKELHSA-N 490.003 5.990 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 505703459 PWNXKKZBHUQNKE-UHFFFAOYSA-N 497.408 5.350 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 506999158 BYAUKBFQPFZKKR-INIZCTEOSA-N 452.486 5.834 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510040890 CNLQIBFWYGUOIG-RUZDIDTESA-N 471.992 5.463 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(CC)cc3)s2)nnc1-c1cccc(C)c1 510520988 FPTBHCNLMULASV-UHFFFAOYSA-N 476.631 5.398 30 20 JKED Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)Nc3ccccc3SCC#N)n2n1 515163915 MRAMYLAZPXXYCA-UHFFFAOYSA-N 459.600 5.360 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccsc1)c1ccc(Br)cc1 515689847 TZPTXYSZQSUKTB-UHFFFAOYSA-N 470.392 5.266 30 20 JKED CC1CCN(c2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cn2)CC1 516508307 HZFIBXSPLBRVPL-UHFFFAOYSA-N 456.615 5.412 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccc(F)cc2)cc1 516724722 BBFLSURMVRWUBH-HHHXNRCGSA-N 495.510 5.343 30 20 JKED C=CCN(C(=O)COc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 517304544 SEMPVWGJKMSSBW-UHFFFAOYSA-N 463.437 5.335 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 518674115 XQXLHDWUUDFNGN-XMMPIXPASA-N 455.539 5.283 30 20 JKED C=CCn1c(S[C@H](C)c2cccc(F)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 521211801 FZBIGZOXLYLQHZ-QGZVFWFLSA-N 474.627 5.154 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 521738812 MEYFKVNLRACWDD-RVCZSYGISA-N 481.621 5.290 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)C(c1ccccc1)c1ccccc1 521807358 JBIOCCHZLHAXDO-UXHICEINSA-N 457.599 5.356 30 20 JKED CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)cc1 523254858 UORHHYXCUGERKG-UHFFFAOYSA-N 498.560 5.585 30 20 JKED COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1 523274183 VJDXIIDRTBQUMC-UHFFFAOYSA-N 497.507 5.009 30 20 JKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cc(C)nn2CCC#N)cc1 523660544 DZOFGAOCFBSGHE-LVZFUZTISA-N 463.541 5.401 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 558801736 CEEAZWUFKPOPSF-UHFFFAOYSA-N 493.361 5.572 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(SC)cc1 570311125 GPCSYVFDJWBWPZ-HSZRJFAPSA-N 461.543 5.498 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 590342076 OOGRVELUEWUBPO-UHFFFAOYSA-N 483.568 6.051 30 20 JKED N#C[C@H](C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 603613793 UXKDLSTYQCYAGT-CYBMUJFWSA-N 476.297 5.286 30 20 JKED N#CCc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 603730429 CQVXSKFJGCYVMI-SFHVURJKSA-N 472.397 6.009 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 603952516 QNGSGMIXSONCIP-UHFFFAOYSA-N 468.534 5.406 30 20 JKED CCN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)[C@@H](C)c1ccc(C#N)cc1 603956649 YPPCXYJIAQIQRZ-ZDUSSCGKSA-N 460.422 5.658 30 20 JKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)cc1 603981360 UXHJNFIRFOBKIU-UHFFFAOYSA-N 462.449 5.031 30 20 JKED COCCn1c(S[C@H](C#N)Cc2ccccc2)nc2scc(-c3ccccc3Cl)c2c1=O 604071483 OTIVJYARJFYJPA-KRWDZBQOSA-N 482.030 5.652 30 20 JKED COCCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604089511 CBIAVCXZZSBUKV-UHFFFAOYSA-N 451.910 5.351 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)cn2)c1 604134857 CRNDRPNZAAHBHN-VWLOTQADSA-N 482.927 5.243 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 608784956 KHGAXJWFKIFVNJ-UHFFFAOYSA-N 477.499 5.991 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCCC[C@@H]3c3ccc(C(F)(F)F)cc3)cn2)cc1 608865251 JEQFVSGYOUOFGS-JOCHJYFZSA-N 494.473 5.457 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 609154323 QPIOQYQTVFREDK-UHFFFAOYSA-N 453.951 5.613 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 609378427 HMTFSJUGZNAATK-UHFFFAOYSA-N 475.536 5.770 30 20 JKED COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1 609430340 PUGRABHXMYVQSW-KRWDZBQOSA-N 481.599 5.143 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 609438471 ILRFBROOQXXDQE-KRWDZBQOSA-N 460.603 5.215 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 614999852 NYYUYQBCKZBWBL-UHFFFAOYSA-N 474.611 5.313 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(C(F)(F)F)nc1 616337285 LURIMDSPJRRBOE-UHFFFAOYSA-N 462.268 5.235 30 20 JKED O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 619946059 IEKRKOGJFIXNAA-KBPBESRZSA-N 479.396 5.722 30 20 JKED COc1c(F)ccc(F)c1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517872 QGAHCMJTDPMACO-HNNXBMFYSA-N 469.328 5.225 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1CC(C)C 660586923 KPKVPEMBEMCHRM-KRWDZBQOSA-N 458.628 5.497 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 726320984 AREXBZUZOODNHN-DYESRHJHSA-N 484.581 5.990 30 20 JKED COC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 726321851 OCXXAICGRKYONC-PXNSSMCTSA-N 489.626 5.245 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(OC(C)C)c2)cc1 726412674 SQLPHSFPTNPGPT-XMMPIXPASA-N 495.645 5.061 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)S/C1=N\[C@H](C)c1cccs1 726419770 GSOVQLTXSZGLTK-SQUMYPLMSA-N 480.453 5.310 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2cccc(C)n2)C1=O 726423489 ZTSZNCZTRWDCNC-ICAVPRFASA-N 494.642 5.050 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)[n+]2ccc(CCC)cc2)c1 726572893 IZAPSYXMPZSJOD-UHFFFAOYSA-O 491.636 7.024 30 20 JKED Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c(C)n1-c1ccc(C#N)cc1 728268008 GEEGKJYWTHSOJT-UHFFFAOYSA-N 458.905 5.717 30 20 JKED Cc1nc(/C=C/c2nccn2CC(F)(F)F)sc1C(=O)/C=C\c1nccn1CC(F)(F)F 728698795 PBWDADIEZULQHG-AWYLAFAOSA-N 475.418 5.036 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3scnc3C)C2=O)cc1 729144910 ZZHROVXRMFQCLT-IBGZPJMESA-N 468.579 5.060 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ncccc3C)C2=O)cc1 729634663 QIAWTCPTJRPBPE-DEOSSOPVSA-N 486.597 5.062 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)O[C@@H](C)C2 730473137 FICAVXGSARILNV-YXYVBFQVSA-N 452.554 5.806 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3ccccc3SCCC#N)c3ccccc3n2)cc1OC 730982195 KZPCCUBACOPCBI-UHFFFAOYSA-N 469.566 6.177 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 731066292 VFVBTKTXGYRNLU-PIZKADEWSA-N 482.911 5.948 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1ccc(F)cc1 731070988 NUGAUTZTYDWAAJ-QGZVFWFLSA-N 480.565 5.325 30 20 JKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1 731076724 CJIYEFSLCNQDOK-UGEDRFTOSA-N 462.493 5.685 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 731114942 XOTPUMKYSDAZHW-LJQANCHMSA-N 450.652 6.026 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1cccnc1 731310236 CZBMVYSLUBPCIJ-ZHRRBRCNSA-N 495.004 5.471 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)CCc1ccco1)c1cccs1 731311969 JHXMQLZVCJEMTQ-FWQCYDTPSA-N 497.642 5.458 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@H](C)c3cccnc3)C2=O)c1 743526231 PGNKYGQPHCFSAE-HXOBKFHXSA-N 492.576 5.259 30 20 JKED C#CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C1CCCCC1 743689689 DAMAWKWOALPCCU-UHFFFAOYSA-N 469.010 5.126 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cc3ccccc3[nH]2)C1=O)NC1CC1 746697633 IJARTMOETUXHFI-HXUWFJFHSA-N 487.412 5.275 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2sccc2C#N)cs1 748099881 DDUQSHVZQJOBQN-UHFFFAOYSA-N 451.451 5.137 30 20 JKED C/C(=C\C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(C(F)(F)F)cc1 748392033 NXDLYYBOSAPZLR-RVDMUPIBSA-N 485.462 5.222 30 20 JKED COc1ccc(-c2nc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)nc(O)c2C#N)cc1 824935182 BOACLFXEWVPVNJ-UHFFFAOYSA-N 470.554 5.112 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@H](C)c2ccccn2)C1=O 837300276 BSVGHZSXVOZLQO-OPAMFIHVSA-N 496.995 5.904 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 837449297 QWVGEWLIWMXMCY-XXBNENTESA-N 458.587 5.420 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O)Nc1ccccc1F 837744118 JOVRJCAGNNFQPB-LJQANCHMSA-N 457.527 5.187 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@@H](C)c2ccccn2)cc1 837913093 PYTPLVZEYBCVFZ-UUOWRZLLSA-N 488.613 5.374 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 864187551 AUSQRAIQBMMYSV-RCRDTURJSA-N 483.200 5.359 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccccc3Cl)s2)cc1OC 874074551 VYRDJNYQAMDVQL-UHFFFAOYSA-N 456.980 5.515 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2Cl)cc1 875065255 AWRHYZLVVMDPNN-UHFFFAOYSA-N 461.978 5.373 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)c2C#N)C1 875462488 KKDKXTXQBYIPII-GFCCVEGCSA-N 451.013 5.080 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(O)Cc3cc(Cl)cc(Cl)c3)cc2)cc1 901380310 STSYXMBJIHVDHL-UHFFFAOYSA-N 464.370 5.307 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(-c3ccsc3)no2)c1 904300690 QZNZUYYQWGSKOV-UHFFFAOYSA-N 457.964 5.500 30 20 JKED O=C(Nc1ccc(SC(F)F)cc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 915301024 JIUODVKAYDUYLY-UHFFFAOYSA-N 453.383 5.051 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)cs1 915776959 CYRDUXXEWBKPKZ-IQGLISFBSA-N 480.593 5.590 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccccn2)C1=O 916207441 YCNMQFZGLFKLSQ-XMMPIXPASA-N 488.613 5.339 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(Cl)cc1Cl 916215861 ZSAGFMRBNLZSJA-LJQANCHMSA-N 494.400 5.157 30 20 JKED COc1ccc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)cc1OCc1ccccc1 916333253 GZLYQLYDZYMCCU-UHFFFAOYSA-N 482.512 5.305 30 20 JKED CCOC(=O)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(OC)c1 916680076 DHCLQUQDEWUIRT-RPBOFIJWSA-N 457.530 5.167 30 20 JKED C=CCN1C(=O)N[C@H](c2cc([N+](=O)[O-])c(F)cc2F)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916723891 QKOGGAPXLJRHON-LJQANCHMSA-N 496.392 5.057 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)c1 916896475 IIQZFSKGMLALOQ-LJQANCHMSA-N 462.962 5.378 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916903351 RHZIGZXMMGOZSI-HXUWFJFHSA-N 483.351 5.851 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916910007 PAVYDVLVLAZQTO-MRXNPFEDSA-N 483.380 5.723 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccccc3Br)cc2)cc1 916913719 RJKSDGOTTFCWSO-OAQYLSRUSA-N 477.358 5.552 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)cs1 916932594 ZBDXBVMOYZXXBJ-QGZVFWFLSA-N 476.410 6.012 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975681 DKAOGMYBSMHEAJ-QGZVFWFLSA-N 453.354 6.101 30 20 JKED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975877 GCOUQMZRCJJSRZ-WOJBJXKFSA-N 482.005 5.776 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 916977096 JKFLFIDZOKTOIO-QGZVFWFLSA-N 452.919 5.074 30 20 JKED N#C[C@H](C(=O)C[C@@H]1Oc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996653 NGPLPENAWMAOTL-YJYMSZOUSA-N 458.326 5.083 30 20 JKED N#C[C@H](C(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917042575 GGLNRCJDNADFAJ-LJQANCHMSA-N 480.467 5.801 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044293 QNCKJTUNDQIAMI-HNNXBMFYSA-N 492.320 6.286 30 20 JKED N#C[C@H](C(=O)CCSc1ccccc1Br)c1nc2cc(Cl)ccc2s1 917046111 FOJOITSLKFDQCQ-GFCCVEGCSA-N 451.798 6.071 30 20 JKED CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CC2 917560501 ORAVWSVKTOYBRH-RVDMUPIBSA-N 468.506 5.257 30 20 JKED COc1ccc(N2C(=O)/C(=C\Nc3cccc(OCCCC#N)c3)c3ccccc3C2=O)cc1OC 917603355 RHGZBXKCTPUDMW-MOHJPFBDSA-N 483.524 5.026 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(OC)cc2)cc1 917613751 SKVKHSZNLUDDFK-UHFFFAOYSA-O 458.607 6.081 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917674255 PSAINBRKYKZVID-CUYJMHBOSA-N 490.673 5.199 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2csc(COc3ccc(Cl)cc3)n2)S1 918714175 VYFBLMITMXSVBT-ZDLGFXPLSA-N 455.992 5.884 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cc(O)ccc2C)N=C1C 920485058 JWXFJTOKBJDTAB-UHFFFAOYSA-O 491.420 5.613 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCOc2ccccc2-c2ccccc2)cc1 921128330 BOVUMFGFKRTWEO-MHZLTWQESA-N 475.548 5.143 30 20 JKED CC#CC[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3ccccc13)C2)c1ccccc1 1779477629 HYIDOEFACVJJOR-RTKAOUNRSA-N 494.635 5.165 30 20 JKED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccccc4Oc4cccc5ccccc45)C3)C2)C1 1782112112 WBHYTVLFHYSSMS-SSEXGKCCSA-N 482.580 5.042 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785804340 AGTCZVGOLFFTRQ-QHCPKHFHSA-N 483.653 5.416 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)CCC3)cc2)C1 1785810348 OIOZJAHIDQHCFZ-DEOSSOPVSA-N 495.664 5.560 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1786143781 JCEQQHDGOQODKG-VJBMBRPKSA-N 495.664 5.511 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)C[S@@](=O)C(c3ccccc3)c3ccccc3)cc2)CCC1 1786155540 BGYUDXOFHMDSGR-PSXMRANNSA-N 498.648 5.072 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc(C(F)(F)F)c[nH]3)cc2)CCC1 1788721632 DIUMRXSCGQNMMG-CMDGGOBGSA-N 487.503 5.282 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)cc2)CCC1 1789191517 LHLYMVDZAZSWBN-AOPTUEIKSA-N 464.654 5.199 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3coc(Cl)n3)CCC2)cc1 1789507407 AFUFEWJHFUTCJL-UHFFFAOYSA-N 458.034 5.127 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789957703 MXCMHUVJXFYGOG-UHFFFAOYSA-N 483.568 5.006 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cnc4Cl)CCC3)cc2)c1Cl 1790083834 NEDWGKWGYPGIMP-UHFFFAOYSA-N 483.330 5.461 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790870838 BCVKYDFADFFPOD-QHCPKHFHSA-N 477.992 5.209 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(F)c(F)ccc4c3)cc2)CCC1 1790964175 OJXZMBARTYXBBG-JOCHJYFZSA-N 469.557 5.215 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnc5cc(C(F)(F)F)ccn45)cc3)CCC2)C1 1790989382 NUKBKNNNOZGGJD-UHFFFAOYSA-N 468.479 5.067 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CNc4ccccc43)CCC2)cc1)c1ccc(O)cc1 1791641793 JUUFOGSCQRNDTO-WXVAWEFUSA-N 493.607 5.233 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c4CC[C@H]5C)CCC3)cc2)c1 1792124019 YOBOUXBNSMFQBO-QZTJIDSGSA-N 467.573 5.148 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccccn45)CCC3)cc2)cc1C#N 1792168712 UMBVKPKMVZXUCH-UHFFFAOYSA-N 493.567 5.055 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cc(C(F)(F)F)c1 1797875306 PYAWOKRSJLTJPD-QECFBVRUSA-N 487.566 5.435 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1802501562 ZPMIKOMDNUYDSL-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1803092234 ULSLXQRVJVHWFN-URXFXBBRSA-N 496.449 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)CC1 1805612299 ZPVFSLBLZMQJCN-VSKRKVRLSA-N 456.577 5.068 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H]1c1cccnc1 1808951454 GCEKHGBVEMFNMD-BTYSJIOQSA-N 476.580 5.193 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)C1)c1ccccc1 1809163467 QOTSVEFSNGWXQX-HFZDXXHNSA-N 497.643 5.109 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)cc(C(C)(C)C)c1 1811413605 WPXGNALVMMMPAT-SQJMNOBHSA-N 486.660 5.300 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1811749112 LTGKLZIJZIFRLC-XZFMWLAQSA-N 479.024 5.143 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4)[C@@H]3c3cccnc3)sc2c1 1811797633 YGQUJHOMQZKFJS-OZXSUGGESA-N 480.593 5.110 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)[C@@H]2c2cccnc2)c1 1811801972 PMPBTOWRKPUQTF-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1812591352 FBXVYGRXPSQFLN-OYYXRSNLSA-N 494.639 5.741 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813230643 KKXJUJSEZFDSTP-PXJZQJOASA-N 465.597 5.262 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2c2cccnc2)C1 1813975923 IBQGDZPVYLNNQR-QVKFZJNVSA-N 478.807 5.328 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1814258425 RZSPWPPRDKJFBQ-MTVBTZTHSA-N 484.644 5.583 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CCCCC3(F)F)n[nH]2)c(Cl)c1 1815353271 UPBFZWRABDTJKA-VQIMIIECSA-N 475.927 5.066 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815683139 PMGFYKAAUMJANW-GMAHTHKFSA-N 485.028 5.683 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(-c3ccccc3)c3ncccc23)n[nH]1 1817797061 VVLISHRTXZITGR-CYFREDJKSA-N 482.588 5.267 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)[nH]n1 1819555455 HSAMRPXGVCWROM-MRXNPFEDSA-N 451.493 5.055 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)no2)n[nH]1 1819796530 YKERZWORTZLVEH-UGKGYDQZSA-N 459.550 5.139 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c(F)c1 1821027355 ZBCPKYIKEHWUNN-NRFANRHFSA-N 465.916 5.002 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(C(F)(F)F)c(F)c4Cl)sc3C2)C1 1821316137 IJJZLIPVTQADTM-LLVKDONJSA-N 487.906 5.146 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[nH]n1 1822397414 DLXXWEQIAUPQOI-HXUWFJFHSA-N 483.494 5.373 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1 1822981291 ZNYDSUVSEIJTCG-NJVGLYJLSA-N 499.656 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)cc2Cl)n[nH]1 1823247609 JKQWZGDLELAKPL-LAUBAEHRSA-N 456.974 5.146 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1ccc(F)cc1C(F)(F)F 1823297900 VSTARPVSVQCRPZ-HNNXBMFYSA-N 480.384 5.216 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCOc3ccc(F)cc3)CC2)c(Cl)c1 1823972938 HEBKSHGUWWXMHK-RUZDIDTESA-N 497.998 5.053 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1823980372 SPKXBXYGWZEKRG-DCFHFQCYSA-N 493.598 5.458 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1823992368 PTINAFGGZMTGFX-SIBVEZHUSA-N 496.026 5.582 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1824032062 ULMWGBPZDNNWRC-IARZGTGTSA-N 487.619 5.053 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828163336 DNSAUGUUQALCID-JTHBVZDNSA-N 474.070 5.076 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 1828825679 XJRKUGMWFSETFT-GBXCKJPGSA-N 461.021 5.410 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(Br)n2)CC1 1829066606 MCPCOWOSSJEWTL-GOSISDBHSA-N 482.488 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)CC1 1829068967 BAIGJKSUGACLRQ-DDKRZIBASA-N 466.691 5.486 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)n3)CC2)c1 1829242524 FWFDWODBWGKVFP-FDDCHVKYSA-N 498.549 5.275 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4cccs4)on3)CC2)cc1 1829282363 WHFPACRMJGJBPP-HSZRJFAPSA-N 488.613 5.016 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CC2)CCC1 1829564266 JSBWJEZMJIHMFU-SANMLTNESA-N 495.627 5.157 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2Cl)CC1)c1ccc(O)cc1 1829863621 MKEBEEZHDSZFEB-QPPBQGQZSA-N 483.008 5.069 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCn2c(O)nc3ccccc32)CC1 1830142506 BXDNKPNBKWQYNS-DEOSSOPVSA-N 494.680 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830486823 SXJDMIUUJKDRLJ-IQGLISFBSA-N 481.999 5.653 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)cc1 1830736567 QRMZHNOZSKANGP-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1)C(F)(F)F 1831452591 KISGTTBLKHGGDG-JOCHJYFZSA-N 493.957 5.548 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831476418 WPYGIPLBNAXFDN-DJOPODEESA-N 467.053 5.138 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 1831565234 ALQKDVILQIXVNO-XSBVVTFOSA-N 463.666 5.448 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831859354 OMWUFPBRRWFEJD-XUZZJYLKSA-N 468.041 5.437 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1832056102 JHQYIRDEYBZIIT-SVBPBHIXSA-N 479.709 5.263 30 20 JKED CCn1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c2ccccc21 1832631954 YWNOWRVREQMMDM-LVXARBLLSA-N 497.643 5.230 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)CC1 1833079173 RZOSAURETMWQCH-UHFFFAOYSA-N 467.698 5.063 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 1845345477 YSAOVZNUEOIQPH-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(Br)cccc2c1 1847531966 PIRLSFNVUOJLBT-GOTSBHOMSA-N 467.407 5.186 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10168311 BOJJKUPEXCTJNS-UHFFFAOYSA-O 481.641 6.241 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)c(F)c1 10828977 MKUHACMGAYWWBC-UHFFFAOYSA-O 477.531 6.033 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1ccc(F)cc1F 10836762 IOQLLNYFSDFRDW-UHFFFAOYSA-O 454.305 5.316 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(N(C)C)cc2)c(C)n1C 11159158 DENNQNUUDIYPIY-UHFFFAOYSA-O 476.453 5.353 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 12056202 JKVCCIZNQJGPQA-RUZDIDTESA-N 498.608 5.302 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)Nc4ccccc4SCC#N)cc3)o2)cc1 16288092 WAOFHLKFAPATML-UHFFFAOYSA-N 484.537 5.123 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccccc1OC 18324801 XRJIJHLQWJQJER-AWEZNQCLSA-N 491.598 5.551 30 20 JKED C=CCn1c(SCC(=O)OCc2ccccc2C#N)nnc1-c1ccc(Cl)cc1Cl 19014706 OSUPDAQZLCFJAT-UHFFFAOYSA-N 459.358 5.145 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2/C(O)=N/c2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)o1 22298125 ZTNDUGXVFRMHBS-ROUUACIJSA-N 477.590 5.143 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2ccc(OC)cc2)n1 24176387 ATJPSOUZMOJASM-UHFFFAOYSA-N 459.321 5.071 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)CC1 25303876 MWMFMTKMEHLUPE-UHFFFAOYSA-N 478.599 5.375 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(F)cc2)cc1 28793615 KYFDCSGQMOSVFF-UHFFFAOYSA-O 480.629 6.215 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(C)c2)c1C 28793845 HNZQNCRSWMQCKX-UHFFFAOYSA-O 499.056 5.725 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(CC(=O)Nc2ccc(C)cc2)n1 32787692 HKURWWOEKAGIMU-UHFFFAOYSA-N 475.643 5.293 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(Br)ccc3Cl)c2)c1 71981334 KXXKKUWHVYQGLN-UHFFFAOYSA-N 454.711 5.479 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1 96133976 OJBVHOFCWSDAQR-QINSGFPZSA-N 465.509 5.401 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 108694549 QUQSWOKIFKIRIZ-UHFFFAOYSA-N 497.624 5.767 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C[C@@H]1CCCO1 254492381 LWRBUPOZHURBBA-UWJYYQICSA-N 472.010 5.096 30 20 JKED CC[C@H](c1ccccc1)c1nnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)o1 303223702 VUVACUTWJDZZOE-MOPGFXCFSA-N 460.584 5.704 30 20 JKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(CC#N)c2ccccc2)c1OC 495548745 SDBVNZWMKSQPSW-VXPUYCOJSA-N 475.548 5.909 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 497878584 AXTUXPDUQCGWFL-QGZVFWFLSA-N 457.496 5.204 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 499748494 HOALGAZZDPDOMH-UHFFFAOYSA-N 484.581 5.582 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 501146399 WYIBHORSYKQUDE-UHFFFAOYSA-N 461.562 5.219 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4c(cnn4-c4ccccc4)C3)c2)cc1 509883581 TYYVNSQWLUCRDE-UHFFFAOYSA-N 463.541 5.108 30 20 JKED CC(C)OCCCNC(=O)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510045251 OAJCAXCSZXKXRK-DEOSSOPVSA-N 497.039 5.171 30 20 JKED CCOc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OC(F)F 510666369 NJHJRQRNUKJZLN-UHFFFAOYSA-N 467.472 5.981 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(Br)s1 510857870 UQARQVIMNGAFMQ-UHFFFAOYSA-N 456.365 6.147 30 20 JKED O=S(=O)(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(F)c(C(F)(F)F)c1 513354977 DTKIBOUFCQQESI-UHFFFAOYSA-N 463.346 5.062 30 20 JKED Cc1nc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)sc1SCC#N 514577908 ZWVYLPVVJZZJDS-UHFFFAOYSA-N 466.514 5.042 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(F)cc1 515972958 NDLHKCKFSBUIEK-XMMPIXPASA-N 459.521 5.118 30 20 JKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCCCC#N)c1 517099420 RKGXHCCXALVCNA-NRFANRHFSA-N 462.377 5.459 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 517303785 SXLFZEQZDGLUBZ-UHFFFAOYSA-N 490.585 6.070 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4F)c3-n3cccc3)n2)cc1 517801062 WRHPUKCJJHANNY-IBGZPJMESA-N 483.528 5.424 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4cccs4)nc4c3c(C)nn4C)n2)cc1 518516544 JYSRIRHFUHLGDY-GOSISDBHSA-N 485.594 5.627 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(Br)c1OC 518683019 FCWQZOIMNOITLW-ZDUSSCGKSA-N 464.385 5.040 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 518685025 VTRIZMHNSVBBEU-OAHLLOKOSA-N 477.417 5.235 30 20 JKED CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H]1CCSc2ccc(Br)cc21 518754551 RDZFRTJRDXXEQH-DNVCBOLYSA-N 490.492 6.934 30 20 JKED CN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Oc2ccccc2)cc1 520163444 WJGOQGCXDIXOOR-UHFFFAOYSA-N 468.513 5.478 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)cc2)cc1 520561990 IDUOPENAQYEFAL-HHHXNRCGSA-N 475.504 5.545 30 20 JKED COc1cc(OC)cc([C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2nccn2C)c1 520938330 UGJDKBLVCLOCMJ-VWLOTQADSA-N 483.528 5.012 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 521328061 GHCZNRJMJZMUKX-INIZCTEOSA-N 469.563 5.273 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3C(F)(F)F)o2)cc1 524391908 IPTLUCJUXJAZJC-NRFANRHFSA-N 499.445 5.119 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 560606752 TWFMJZHXVADSLQ-MUUNZHRXSA-N 460.581 5.162 30 20 JKED C=CC[C@H]1O[C@@H](c2ccc3ccccc3c2)C[C@@H]1[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC 585164700 JKBLWDBOKUEEQU-FICKONGGSA-N 493.625 5.081 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nc2sc(C)c(C)c2c1=O 588380651 QSHLWJVVGRAFFQ-KBXCAEBGSA-N 465.040 5.145 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 591020105 UFUYGNKINBNZJB-QGZVFWFLSA-N 459.493 5.677 30 20 JKED N#Cc1ccccc1OCc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)c1 594668892 VQYQVNQELJZTLI-OLQMUTRHSA-N 477.608 5.120 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1nc2c(s1)CCCC2 601635868 LQBLELUIFOFKOX-HXUWFJFHSA-N 459.615 5.247 30 20 JKED C=CCN(C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458833 DQFWVYQXFFETMG-OAQYLSRUSA-N 498.992 5.345 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@@H]2CCCC[C@@H]21 603624669 QWSPZNAQTJOUEO-OPXMRZJTSA-N 496.567 5.166 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)c2)c1 603638933 PPLQELZFNJKJDO-UHFFFAOYSA-N 489.575 5.781 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 603706106 AZIZNJXBXOXRFN-OYHNWAKOSA-N 451.979 5.631 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 603995368 HVQVKYSVRMSMFT-UHFFFAOYSA-N 499.530 5.070 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(CCc1ccccc1)Cc1ccccc1 604153942 AHOCDRHQVRLHRA-UHFFFAOYSA-N 490.563 5.264 30 20 JKED C[C@H](NC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1)c1ccc(C#N)cc1 608863949 APBQJLJXSXVCIC-KRWDZBQOSA-N 472.932 6.328 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(Cc4ccc(F)cc4)n3)s2)cc1 608870044 JVRFXEQLPJLQNA-UHFFFAOYSA-N 467.576 5.141 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)o2)cc1 609057995 CKTVAHTXLIHLQU-UHFFFAOYSA-N 451.507 5.681 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)cc2)c1 609064456 XJLDISZHXLSXLN-UHFFFAOYSA-N 495.510 5.546 30 20 JKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)n1CC(F)(F)F 609072750 DBITZMAIPCZVNA-UHFFFAOYSA-N 461.871 6.024 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OC(C)C 609078416 PERAQSKWEQCJDO-HXUWFJFHSA-N 473.573 6.124 30 20 JKED CC[C@H](CNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 609085312 MNJQNMCUEDATGN-HXUWFJFHSA-N 461.949 5.039 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 609101230 KFGVNUZXNIKKGF-DEOSSOPVSA-N 475.614 5.225 30 20 JKED CCOc1cc(Br)c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OCC 609206873 KGRWGAWYVCSGQI-UHFFFAOYSA-N 488.382 5.193 30 20 JKED N#C[C@H](C(=O)c1csc(I)c1)c1nc2cc(C(F)(F)F)ccc2s1 609357014 NEBOOKARQQERHY-SECBINFHSA-N 478.258 5.471 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cc1 609376705 HGCCOSATBIUSRG-LJQANCHMSA-N 473.598 5.058 30 20 JKED N#Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)cc1 609405218 QRPQOHJWMLKLPF-OAQYLSRUSA-N 456.304 5.043 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nc2sc(C)c(C)c2c1=O 612542950 VTDTUJVKYIIIFT-LBPRGKRZSA-N 451.976 5.173 30 20 JKED COc1cc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 613383821 VUOXGFDRGYKHRD-JZYVYDRUSA-N 450.326 5.328 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccccc1C 613427629 VFDMQELDOMEMLP-ZWKOTPCHSA-N 471.026 5.363 30 20 JKED O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616159194 NTYDVEGLBTYJCJ-FOLVSLTJSA-N 487.435 5.138 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(-c3ccccc3)nc21 620304221 IEUXAGHZLOZDHL-QGZVFWFLSA-N 485.519 6.010 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1sc2cc(C(F)(F)F)ccc2c1Cl 642161208 CDUTZPIKVIJDRJ-IUCAKERBSA-N 497.810 7.213 30 20 JKED C=CCOc1c(Br)cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1OC 643907018 ZCIAQLFLECJKND-JOCHJYFZSA-N 469.335 5.382 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCCC(=O)Nc1ccc(Cl)cc1F 644450420 VUYWJXBQZHAXLN-UHFFFAOYSA-N 464.925 5.096 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])SC1=Nc1ccc(C#N)c(Cl)c1 726407380 QSGCPYNERRSAJK-FQEVSTJZSA-N 499.980 5.189 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726409919 XCPDXEBMRMHUMG-OAQYLSRUSA-N 482.993 5.175 30 20 JKED CC(C)c1ccccc1N=C1SCCCN1C(=O)c1oc2ccccc2c1CS(C)(=O)=O 726496997 VZGOHKUPNJKQLX-UHFFFAOYSA-N 470.616 5.368 30 20 JKED CCOc1ccc(OCC)c(NC(=S)NN=Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1 727258893 WEOWEQBHGAGWOG-UHFFFAOYSA-N 497.646 5.254 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 728011459 CXIOERKLLNJBOQ-HUUCEWRRSA-N 472.467 5.135 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c3ccccc3n2)cc1OC 728015061 WHJOZDSLGQZQDK-UHFFFAOYSA-N 475.451 5.644 30 20 JKED CCOc1cc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)cc(Br)c1OCC(=O)N(C)C 728158463 OVCIFMBVANUMRV-ZHACJKMWSA-N 485.378 5.001 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1cccc(C(F)(F)F)c1 728421495 WCOQASZFBMVUTR-FQEVSTJZSA-N 489.519 5.088 30 20 JKED N#Cc1ccccc1N1CCCN(Cn2nc(-c3ccco3)n(C3CCCCC3)c2=S)CC1 728710329 VHULEHZLWCVWEV-UHFFFAOYSA-N 462.623 5.221 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1CCCCC#N 728778496 SCGQFMXFWHQPBS-HXUWFJFHSA-N 498.992 5.001 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)(F)F)cc1 728778800 FSROJDJOJSURBJ-LJQANCHMSA-N 490.507 5.239 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc(-c3ccccc3)nc21 729889500 OZXSJBMDNUEMTK-SFHVURJKSA-N 492.366 5.947 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c1C 730444863 QGOJFQVPSWCCRI-QHCPKHFHSA-N 494.592 5.250 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O 730460350 YVBMVFRSGPIHSJ-HSZRJFAPSA-N 459.571 5.361 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(F)cc2)c(C)s1 730717838 SJVDOVAWLUCHRU-KUHUBIRLSA-N 483.594 5.016 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 731060343 UCTILSHCSUVRSJ-IBGZPJMESA-N 481.577 6.092 30 20 JKED CC(C)(C)n1cc(/C=C/C(=O)c2cccc(NS(C)(=O)=O)c2)c(-c2ccccc2Cl)n1 731159789 VXWIQNWQJFOWQQ-OUKQBFOZSA-N 457.983 5.226 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Br)c2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731308782 OCKXEDZABAAAMT-IBGZPJMESA-N 488.407 5.058 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1F)c1cccs1 731311819 HVPIWLKEJXVVDV-VVGOASPTSA-N 483.590 5.183 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H]2CCc3cc(F)ccc32)c1 731315508 GZNALSLGRZTTEQ-LOSJGSFVSA-N 499.567 5.160 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1 744935692 DWTGDASUVIKSRE-HNNXBMFYSA-N 488.352 5.255 30 20 JKED C[C@@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1 747198777 NGEFYYNMICXMQU-SXKRPYPPSA-N 464.613 5.799 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccccc1F 747599494 JWFLLSCTZOJMSK-SFHVURJKSA-N 474.970 5.096 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 789851978 JSTJXHQMCIWMGZ-UHFFFAOYSA-N 453.932 5.345 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(-c2nc3ccccc3s2)s1 827601610 FXIWLYRUTGTUSG-INIZCTEOSA-N 491.594 5.526 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N([C@H](C)CCc2ccco2)C1=O 837299125 BYBYUQGGUIGNKT-NTKDMRAZSA-N 491.613 5.578 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccccc2F)cc1 838042770 YQUUSEWENJFBCK-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CC(C)N1CC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 849506630 OGTFXPVGYHYGCF-GOTSBHOMSA-N 477.996 5.190 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913119041 HNCHBKSQUFBFNS-LJQANCHMSA-N 493.416 5.322 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cccs2)cc1F 914552407 APCFWFZYYPRVLF-OAQYLSRUSA-N 467.591 5.034 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccccn3)C2=O)cc1 916212306 WEWMGPQPYWGJFA-OAQYLSRUSA-N 464.978 5.204 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2C[C@@H]2CCCO2)cc1 916214298 LUUJSUFQDYSSHC-XUZZJYLKSA-N 495.645 5.177 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1 916215626 WBFFAIXSABAJLZ-SFHVURJKSA-N 478.401 5.515 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(CSC(F)F)o1 916272657 GPXYUNWPUGJEAF-UHFFFAOYSA-N 465.934 6.018 30 20 JKED CCCCCn1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2c1=O 916912015 YVFPSEJRTDEIEH-QHCPKHFHSA-N 494.551 5.340 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 916913917 HTIVDZOUGYTQHY-QHCPKHFHSA-N 465.557 5.422 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916930898 HURYAWIOOOLLKS-GOSISDBHSA-N 470.287 5.346 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916945014 PXXQYYWXFTVEED-IBGZPJMESA-N 483.311 5.475 30 20 JKED COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2)c1 917327074 CWOBIMSKXVQTRT-AREMUKBSSA-N 482.492 5.276 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cc1 917517619 JRVJAMABHYGIKU-FMIVXFBMSA-N 461.525 5.143 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(-c3cccs3)cc2)cs1 917560856 ZQVNCPOCCHTUGI-JLHYYAGUSA-N 464.999 7.106 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccc(C)n3)C2=O)cc1 917683274 UIEIJGJJTHSUIY-DEOSSOPVSA-N 486.597 5.062 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2C#N)c1 917702281 DKKGTSHTGAHORR-VWLOTQADSA-N 498.608 5.174 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917703198 ZKSGKMXZEREMEJ-RUZDIDTESA-N 487.625 5.177 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccsc1 917707286 WTPRVPLMHFEKLR-HXUWFJFHSA-N 481.002 5.434 30 20 JKED Cc1ccc(N2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 918036813 DDTGWMXGBPOSOD-VWLOTQADSA-N 458.993 6.048 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918736363 UFLNKGJMAYVVIW-ZIAGYGMSSA-N 484.897 5.941 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C 920197994 LSLIMKGTMBQQKQ-AREMUKBSSA-N 491.595 5.050 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)c(C)c1 921254918 UKTRFZNIBIPVOE-XLIONFOSSA-N 493.551 5.231 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCO[C@]3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)C3)C2)cc1 1785081974 MXWKHTGMYGUNHB-FWUCURJTSA-N 493.607 5.046 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)CCC2)cc1 1786366833 YKSJEPTWJPEXJO-UHFFFAOYSA-N 493.007 5.461 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1 1786367295 IYHKBWCSOPKATP-UHFFFAOYSA-N 497.595 5.292 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](N)c3cccc(Cl)c3)cc2)CCC1 1788053504 VKKARCGJHIJVHI-PKTZIBPZSA-N 451.998 5.242 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cs3)cc2)CCC1 1788677763 PLWWREASVJBYSV-CQSZACIVSA-N 478.412 5.059 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)c(Cl)c1 1788787723 LNHYBRQVTPPFSL-UHFFFAOYSA-N 498.892 5.687 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)ccc1Br 1788881215 XBAJEQFVLHOQFE-UHFFFAOYSA-N 498.764 5.629 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454125 QXMCFADBFCXVAQ-CUNXSJBXSA-N 499.627 5.238 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4Cl)cc3)CCC2)cc1 1789704670 WFECVKNPYMJPOB-UHFFFAOYSA-N 479.367 5.516 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)Cc4ccc(Cl)cc4)CCC3)cc2)c(C#N)c1 1790472289 AYZJQQWCISILJZ-UHFFFAOYSA-N 487.987 5.140 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccc(Br)c4F)cc3)CCC2)CCC1 1790627691 KPSLDRYOJANQMJ-UHFFFAOYSA-N 470.342 5.030 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4=NO[C@H](c5ccccc5)C4)CCC3)cc2)cc1 1790707704 PKWAKIXSTTYJAF-SANMLTNESA-N 478.552 5.018 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)cc4F)CCC3)cc2)cc1 1790708466 HTRONZFKWAXXKB-UHFFFAOYSA-N 459.496 5.021 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC(F)(F)C4)CCC3)cc2)cc(C(F)(F)F)c1 1790785436 NOJLGPDLUOCKKR-MRXNPFEDSA-N 491.460 5.760 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791444137 MJYTUTNLXIRYEM-ONOMSOESSA-N 495.664 5.512 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791583720 DLWRRACMEXZJBZ-OFNKIYASSA-N 481.637 5.008 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791726181 DCSZHUGCEJCRIH-SAIGFBBZSA-N 495.664 5.398 30 20 JKED C/C(=C\c1cccnc1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792127178 SFMBFIMMWIHGKH-ICFXLVBESA-N 464.569 5.560 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Sc1cccs1)C2)c1ccccc1 1798554753 WZPOOFCBODIVHM-LKZJFHPWSA-N 466.672 5.064 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1802381053 GLBZBFCQYAWZCJ-BKHJTQGXSA-N 494.639 5.032 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)[C@@H]1c1cccnc1 1802493364 XKZFUCGLBDKEBK-HYBUGGRVSA-N 472.004 5.115 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1803091148 NFHPLLXYIMGZIL-FIPFOOKPSA-N 493.607 6.069 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)c1 1803679718 VDXOKCZMWYWCPA-YEHREXKJSA-N 478.596 5.250 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)C3)CC2)c1Cl 1804746178 VXKTUTVFMWWBJT-UHFFFAOYSA-N 495.410 5.505 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4c(-c5ccccc5)cn5ccccc45)CC3)C2)C1 1804782473 RKXNJVHBQSEYPK-UHFFFAOYSA-N 467.613 5.417 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc(OC)ccc4o3)CC2)C1 1804862226 MZMGPMBXINQGIF-UHFFFAOYSA-N 452.595 5.279 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)C1 1806027449 WZOCMXBDNLGEHJ-QHCPKHFHSA-N 497.639 5.338 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1807838003 FLRLHZBJUPNAAD-WNJJXGMVSA-N 494.639 5.540 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1809463455 NSLVDPVCMZTUNG-QPPBQGQZSA-N 480.052 5.465 30 20 JKED CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)N2CCC3(CCCN(C(=O)CCC#N)C3)CC2)cc1 1809511989 ARKYTXZQVFVDJV-HSZRJFAPSA-N 495.664 5.208 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(F)c2)[C@@H]1c1cccnc1)c1ccccc1 1810443794 MDGWMPQAQUYWMW-FQLPYIGMSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)[C@H]1c1cccnc1 1810492213 JWTULGCVHOJHNL-BVAGGSTKSA-N 465.613 5.160 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(C)c3[nH]2)[C@@H]1c1cccnc1 1810498701 PDGIRODMDKZAHK-WIOPSUGQSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1810502178 MMJFDLFHRZMXRC-VGOFRKELSA-N 475.967 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1810502284 GTBGNSPOHDYQOJ-AHKZPQOWSA-N 461.650 5.446 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1811140307 FZWDDEBPOFSGJV-AUSIDOKSSA-N 491.941 5.267 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CC[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)cc1 1811361779 NGFMWHBTFTYFFY-VNKNIMTOSA-N 496.636 5.082 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Br)cc(C(C)C)c2)[C@@H]1c1cccnc1 1811983666 ORAIKNOBXACYLJ-NLFFAJNJSA-N 496.449 5.091 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813952755 CIGPHARJXPAXAM-GSDHBNRESA-N 473.642 5.023 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)[C@@H]1c1cccnc1 1814103531 PORNNFQQVHAIAE-PDDLMNHVSA-N 488.591 5.030 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1814108329 TZRKBEIOMNIGAR-LXFBAYGMSA-N 483.637 5.107 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)[nH]n1 1814441833 GSKFCQVVVLPBIO-HYBUGGRVSA-N 477.653 5.459 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c1 1814735437 PQJFAWWULWDHTO-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1815219105 FGXXBGABPHTJFU-CPJSRVTESA-N 474.605 5.087 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)n[nH]2)C1 1817766048 HVHJUKFXGUJZOV-JOCHJYFZSA-N 477.515 5.022 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)oc2ccccc12 1818570997 ANCAHWSKCMNVHC-SBUREZEXSA-N 481.556 5.711 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3s2)n[nH]1 1819075867 YUCYJNYSCHJXPU-NHYWBVRUSA-N 493.452 5.011 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)[nH]n1 1819307226 DDNHKNGUQQHZFY-AZUAARDMSA-N 460.500 5.503 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)[nH]n1 1819311257 SIXWRRFQVNNDLJ-FXAWDEMLSA-N 456.974 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)[nH]n1 1819554601 KFTHUQWGQYSNMX-HSZRJFAPSA-N 475.593 5.270 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(-c3cccnc3)cc1)CC2 1819602997 HWUVZRQXWYXRKV-VXKWHMMOSA-N 472.614 5.199 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1820207348 JFMNAMFPCHXDLZ-SFHVURJKSA-N 491.598 5.186 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c1Cl 1820219999 CVTZHZZEWPNHLH-SFHVURJKSA-N 486.334 5.347 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(Cl)cncc4s3)[nH]n2)cc1 1820550541 XEBXMKRKIIRTPL-LJQANCHMSA-N 490.976 5.164 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277703 GOKDBCSOKLWXST-JOCHJYFZSA-N 496.087 5.292 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c(F)c1F 1821279378 AZDTZGMRYURWRO-IBGZPJMESA-N 483.906 5.141 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821522000 CDBPIZQMYGXUMQ-DEOSSOPVSA-N 497.599 6.225 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)n[nH]1)c1ccc(O)cc1 1822326171 OACFSJMGSLHYJK-WVAUJHLCSA-N 496.611 5.108 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1822388501 FZRDJYPRIWVWMT-SANMLTNESA-N 491.595 5.734 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)[nH]n2)c1 1823218295 QOOJVCDAFDVZKH-CYFREDJKSA-N 475.637 5.949 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1824511359 DJJNPKSARKVXMR-ROKPMTFOSA-N 494.598 5.106 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1824539272 VBYTVECLHMLRAG-VXKWHMMOSA-N 495.611 5.374 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)CC1 1824759114 JVMDDKSYDLZONG-DHIUTWEWSA-N 489.701 5.068 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824987121 WPSYTGSVJFWTLS-VWNXMTODSA-N 481.102 5.073 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)oc3C)CC2)c1 1825951712 XSWWZWXGTBDQQG-VWLOTQADSA-N 475.633 5.613 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCCC3)CC2)cc(C(F)(F)F)c1 1826264531 PDOCYBDBAVQRJX-HSZRJFAPSA-N 475.555 5.391 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1827529890 VCLDFUQQNGEDMM-DEOSSOPVSA-N 497.083 5.552 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1828150906 YDGCVFOQXOHBPJ-SANMLTNESA-N 489.019 5.169 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(-c4nccs4)noc3c2)CC1 1828501305 BSEIEPXGPCVVFK-PGRDOPGGSA-N 492.645 5.397 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1 1828821862 SPAUJRZYDSTQHD-VPUSJEBWSA-N 459.634 5.165 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1828822099 WPXLHRZNSHWCCZ-XCZPVHLTSA-N 489.660 5.692 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCc3cccc(OC)c3C2)CC1 1828829522 DDWVFEAUGJENBN-WEWMWRJBSA-N 478.677 5.188 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2OC)CC1)c1ccccc1 1829033383 VMLVJMDFMLXXGQ-RPWUZVMVSA-N 478.658 5.187 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(C)cc(C)cc3C)CC2)c1 1829684807 WVRLTYTUGRNYKA-SANMLTNESA-N 473.617 5.039 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(Br)cc2C)CC1 1829785438 SRNSOEONRGBWOC-LJQANCHMSA-N 479.484 5.246 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)cc1 1830017479 ZDIQFKTUIAHJSZ-QFIPXVFZSA-N 487.497 5.263 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1830416617 KPZFSAQNCLPYQW-IERDGZPVSA-N 468.425 5.028 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830631671 LXXZMONBINUKGE-FQLXRVMXSA-N 481.640 5.183 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c(C)c1 1830722174 BRGUFDDSAHLUAZ-RUZDIDTESA-N 480.008 5.076 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770893 KWFWDRDSKFJZAT-WFTVZMDTSA-N 459.590 5.105 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1831446682 FHKQVOSUTOSNSJ-FQEVSTJZSA-N 463.956 5.266 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3F)CC2)c1 1832397579 SAAZBPBIRZKDKH-KDYSTLNUSA-N 475.608 5.319 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1832712173 VJWNYZNJFOEGSK-SFHVURJKSA-N 494.451 5.420 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832799109 CHHXHCRELOITFW-GUDVDZBRSA-N 464.519 5.186 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)CC2)c1 1832956673 ILVRAPRMSAXHQA-PZGXJGMVSA-N 483.656 5.352 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)N[C@](C)(C#N)C3CC3)n2C2CCCC2)cc1 8929437 NJWQHTOWLCLRAR-RUZDIDTESA-N 451.640 5.258 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1ccc(F)cc1 10498259 DZTGGYPKEUAPHW-MRXNPFEDSA-N 454.596 5.280 30 20 JKED CC[C@@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)Nc4ccccc4C#N)n3C)cc2C1 10830168 BWAJDCJJZDOLHY-HUUCEWRRSA-N 451.621 5.049 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1 10831811 PMAFTDHCTZQOCQ-UHFFFAOYSA-O 492.451 6.923 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)cc1 11253385 LHBBYDRFGUSBBG-UHFFFAOYSA-O 493.674 5.759 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cccc(Br)c2)cc1 15247746 NVTDBBSEWMAUAS-UHFFFAOYSA-O 484.439 5.749 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2sc3c(c2c1=O)CCCC3 17652930 RFGSCWYVOQZMQV-LBPRGKRZSA-N 456.618 5.488 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2sc(C)c(C)c2c1=O 28381004 MUFZCJZWAUKDFU-UHFFFAOYSA-N 487.956 5.664 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccoc1C 36772361 KUEALLOBUQXADK-MRXNPFEDSA-N 452.580 5.381 30 20 JKED C=CCN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1nc2c(s1)CCCC2 107513060 XYLLSPNXSWVZLQ-UHFFFAOYSA-N 470.392 5.805 30 20 JKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)n1 110433639 SPTGDEIGVWVHKE-UHFFFAOYSA-N 452.514 5.737 30 20 JKED COc1ccc(Nc2ccccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 110482690 BUBPUHIMRFZULX-UHFFFAOYSA-N 450.498 6.059 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3)n2)nnc1-c1ccccc1F 195669013 OXDAIFHWCJVBPH-UHFFFAOYSA-N 465.579 5.200 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 195727827 GDMKPGUWRIDXDK-MRXNPFEDSA-N 466.349 6.231 30 20 JKED Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1Cc1ccco1 218674576 RUHNABZXNYNYSJ-INIZCTEOSA-N 489.626 5.436 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 303271489 HKYXECYQSUALNL-UHFFFAOYSA-N 477.008 6.025 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nnn1-c1ccc(OC(F)F)cc1 303288641 AIPIGTHLWDKSKS-UHFFFAOYSA-N 489.482 5.075 30 20 JKED Cc1cc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)ccc1F 409778860 YGRZRGWHKOQJAY-UHFFFAOYSA-N 466.744 5.658 30 20 JKED Cc1cccc(OCc2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)c1 479625409 TXJNSZXEOVDPQE-LJQANCHMSA-N 450.564 5.001 30 20 JKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2Cl)n1 480378464 ODAOYOAGPUREDO-IRXDYDNUSA-N 464.957 5.107 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2F)c1 481601224 WSBCWWSHTDDNNF-QFIPXVFZSA-N 464.566 5.296 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 482841350 NTCHPGZKXJDVJQ-UHFFFAOYSA-N 488.598 5.440 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)C[C@@H](C)O1 488013371 HWTUACGRCRBQJU-SZPZYZBQSA-N 471.576 5.149 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 489906466 PIFHXZZPUPYODO-UHFFFAOYSA-N 488.968 5.117 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)o2)cc1 501162661 PVLHQVXACZCVDM-UHFFFAOYSA-N 488.544 5.390 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 501416447 FDOMLBPWZUZFLX-HXUWFJFHSA-N 473.598 5.339 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)CC2)c1 501698021 MXVTUCYLXKTJRW-UHFFFAOYSA-N 472.595 5.387 30 20 JKED CC(C)CCSc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] 501741269 CSDRAFZHUFGWCE-UHFFFAOYSA-N 480.590 5.096 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 505395406 MHNIMGQFBCHLKM-UHFFFAOYSA-N 469.548 5.462 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1Cl 506095750 AOQQCMMDXHHBQZ-QHCPKHFHSA-N 458.949 5.209 30 20 JKED N#C[C@H](C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)c1nc2ccccc2[nH]1 507029469 VEMOVPYKHZFVFQ-LJQANCHMSA-N 484.581 5.173 30 20 JKED CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@H](C)c1ccc(C#N)cc1 509574915 KVEVBXNMPDOPBW-UZLBHIALSA-N 458.389 5.327 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 509990776 DJMHTGIMUHYHQF-RUZDIDTESA-N 461.949 5.705 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 512411582 OTNVIZUNBYDHDN-RDTXWAMCSA-N 473.367 5.006 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccco1 514590549 BIIVZGNAUKBJAF-IWFBPKFRSA-N 461.591 5.184 30 20 JKED CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(OCCCC#N)c2)cc1[N+](=O)[O-] 515440723 LQRKWRMCDZOBTQ-UHFFFAOYSA-N 475.526 5.483 30 20 JKED CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 515881925 BQRXWVWVYGZMMF-UHFFFAOYSA-N 463.921 5.046 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 516204412 UPDPKILQNBDBJJ-MRXNPFEDSA-N 459.600 5.920 30 20 JKED C=CCn1c(SCc2nnc(C3CC3)o2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 516258012 BRKUEYUMOGPUPB-INIZCTEOSA-N 455.653 5.896 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 518164929 IZXCUIWYWKPEQX-RDTXWAMCSA-N 476.465 6.402 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 520943942 PDAAHYMKIAHHLP-OXQOHEQNSA-N 475.536 5.792 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 521453301 PWQOPNVAVFVQSO-FTJBHMTQSA-N 459.521 5.513 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 521809752 IDYOAMNVPPICEX-HNNXBMFYSA-N 477.417 5.378 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2C(F)(F)F)c1 524461120 KCYWNHHQUGFMJH-UHFFFAOYSA-N 494.448 6.042 30 20 JKED CC(C)Oc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1Cl 524647332 QPUYXSMFKQDFCC-UHFFFAOYSA-N 479.989 5.982 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1SCc1c(C)noc1C 573707202 PEDXNZQXBDVQFS-UHFFFAOYSA-N 469.566 6.808 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3Br)s2)c(C(F)(F)F)c1 603758580 QYMGBQGQKBHVHX-UHFFFAOYSA-N 466.282 5.639 30 20 JKED N#Cc1c(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)sc2c1CCC2 603946474 KCQBAVRPTVZOSW-UHFFFAOYSA-N 450.408 5.237 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(I)cc1Cl 604087086 QAGDPJQVQNAGRH-UHFFFAOYSA-N 456.711 5.173 30 20 JKED CN(Cc1nc2ccccc2s1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604162490 DWPKHLLFDBYTCG-UHFFFAOYSA-N 476.945 5.211 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)cc2)cc1 604461346 FXFQCHDTJSYBRH-UHFFFAOYSA-N 495.366 5.647 30 20 JKED Cc1nnc(Sc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c(C)c2)s1 609058948 CZICLRLNRAJJHX-UHFFFAOYSA-N 462.556 5.602 30 20 JKED N#CCn1c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)cc2ccccc21 609201978 CKUKXUXAHHYJRO-UHFFFAOYSA-N 490.438 5.743 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)nnc1-c1ccccc1OC 613932710 JTXLVKIQWFAIGM-XMMPIXPASA-N 480.609 5.419 30 20 JKED O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618465832 ZIMHUSVGKFCNIU-OCAPTIKFSA-N 463.749 5.110 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2c(F)cc(Br)cc2[nH]1 642175650 UHLNKWMTVVLTSF-HTQZYQBOSA-N 475.202 5.709 30 20 JKED C=CCOc1ccc(/C=C/C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc1OC 726371639 LSXMEGAAAYUGNQ-FYWRMAATSA-N 457.530 5.234 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(OC)c(F)c1 726413578 YOEKXTKEKLRBOK-HXUWFJFHSA-N 493.988 5.175 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(F)cc2)cn1 726889522 GOQMJIHSMKVECJ-QFIPXVFZSA-N 492.576 5.007 30 20 JKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727038289 JJXBUAMHXZSSNJ-LJQANCHMSA-N 457.511 5.394 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccccc2Cl)n1 727626839 HAJQZKLJDXJKEE-CYBMUJFWSA-N 460.342 5.395 30 20 JKED COc1c(C)cnc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C 728121528 IOPKVTUUSYIWAI-UHFFFAOYSA-N 450.926 5.133 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 728182552 XIOJUMJLTGSXCV-CJLVFECKSA-N 492.647 5.537 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(O)c(C)c2)ccc1OCC(=O)Nc1ccccc1Cl 728232902 XXOHVHFMALNZHP-JXMROGBWSA-N 451.906 5.276 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)cs1)c1ccc(F)cc1F 728441165 FVABZSZDSJTYIJ-NTMALXAHSA-N 499.539 6.573 30 20 JKED C=CCn1c(SCC(=O)OCc2c(F)cccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl 728987100 WMEZLYAJHDYEJY-UHFFFAOYSA-N 497.335 5.321 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 729564563 DOWHLZNBPZKAKW-OFVILXPXSA-N 490.604 5.994 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(CCc3c(C)noc3C)C2=O)cc1 730441744 AKLJGLANZJSIOQ-HSZRJFAPSA-N 494.592 5.250 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1C1CC1 730521582 ZPHFKUDMIHSOJH-HXUWFJFHSA-N 457.983 5.034 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCc3ccccn3)C2=O)c1 730535736 JAICUTBVVVBFSF-DEOSSOPVSA-N 490.604 5.349 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCCC3)C2=O)c(OC)c1 730535863 JZIDRJDWVQMSFX-JOCHJYFZSA-N 485.581 5.054 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3cocn3)C2=O)cc1 730710465 LYGIJWSPKZKCDY-XMMPIXPASA-N 498.564 5.191 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3c2CCC3)cc1 730921043 UMWIOXLBRBSDFL-SFHVURJKSA-N 467.356 5.191 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N([C@@H](C)c2cccnc2)C1=O 730943696 JNBXXMYQWADVIJ-CYFREDJKSA-N 488.613 5.429 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 730943899 MYPKHLNNIVOUQL-HRAATJIYSA-N 464.978 5.457 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1nc2cc(Cl)ccc2s1 731080209 ZQPKRZHHAQCZGS-AWEZNQCLSA-N 474.007 5.458 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 731114216 KCENZSWVLAMKQJ-HNAYVOBHSA-N 460.397 5.306 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C)cc1F 731310313 FGGGICBAIIEUHH-HSZRJFAPSA-N 493.560 5.009 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2cccc(OCc3ccccc3C#N)c2)c1 731314619 ORTYUTWEJOBRCF-UHFFFAOYSA-N 469.570 5.096 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cc(C)ccc1F 743525540 FTCWGJZYVMCNGH-GOSISDBHSA-N 478.387 5.267 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/Oc3ccc(F)cc3C2=O)cc1OC 749747039 STZVNBAIGCSEJG-AUEPDCJTSA-N 483.879 5.130 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N([C@@H](C)Cc2ccco2)C1=O 914690558 ZINMWOUNNRBIGT-GAJHUEQPSA-N 495.576 5.327 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915087208 QKAVNVGOXXELNS-SANMLTNESA-N 451.526 5.707 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccoc2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915101387 ALMWFPMTOKIPGP-KRWDZBQOSA-N 474.369 5.439 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 915354316 ZSYRSVDQZYSGTC-JTHBVZDNSA-N 452.583 6.363 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1coc(-c2cccc(Cl)c2)n1 915467596 YWSJHLKGGLOKDA-UHFFFAOYSA-N 491.725 5.150 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1ccccc1C(F)(F)F 916210253 CZUFHLMKYBDMDS-IBGZPJMESA-N 473.476 5.459 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC2)C1=O)Nc1ccccc1Br 916210341 BURLECWHBZAATO-KRWDZBQOSA-N 478.799 5.225 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCC(C)C)cc1 916214245 LTUYLQMHTPUFDG-HXUWFJFHSA-N 493.551 5.720 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCc2ccc(C)nc2)ccc1Cl 916399954 IGXLSPGBRYPSTA-UHFFFAOYSA-N 490.412 5.008 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1OC 916505160 VBAJFEDGCUCQJL-UVTDQMKNSA-N 460.505 5.232 30 20 JKED CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OC 916546336 MAJVJPUCYRZFTF-UHFFFAOYSA-N 451.379 5.557 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(SC(F)F)cc1 916885720 AXLCTEWSEJGOEV-QGZVFWFLSA-N 477.945 5.668 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CSc1cc(C)c(Br)cc1C 916901800 QXWFTGYVTJOQGX-AWEZNQCLSA-N 495.826 5.476 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916924778 BJEWUGMLSORAIR-NRFANRHFSA-N 464.974 5.992 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1 916954473 IDVUCJOCAMPOKF-SBUREZEXSA-N 465.557 5.418 30 20 JKED N#C[C@H](C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1nc2cc(Cl)ccc2s1 917046571 LAFNDNSUFHUWQI-QGZVFWFLSA-N 492.969 5.001 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2c(C)nn(-c3ccc(Br)cc3)c2C)S1 917145818 SFRFATOCUBVOBD-NDENLUEZSA-N 481.419 5.760 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 917506796 HTPARKXVBFXOBW-FQEVSTJZSA-N 498.457 5.825 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917699699 FIKBYYNMALZVSR-UZUQRXQVSA-N 461.587 5.054 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccco3)C2=O)cc1 917705215 XAUMCMBYDJUNFT-QHCPKHFHSA-N 488.569 5.101 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N2CCC(OCC)CC2)ccc1Cl 918389444 OEJYKOALXFIWQN-UHFFFAOYSA-N 497.444 5.016 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1OC 918489739 MYNZMVKAUINHRZ-KRWDZBQOSA-N 456.951 5.298 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccc(C3SCCCS3)cc2)c1C 918900151 RUEYLPBPGHUYDP-UHFFFAOYSA-N 454.617 5.276 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 920113011 OJUZPYKRBJFSON-BLLLJJGKSA-N 488.421 6.756 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)SCC(=O)Nc3ccc(C)cc3)n2)cc1 920138478 GZXYETQTUWTWLZ-UZLBHIALSA-N 465.600 5.064 30 20 JKED N#C[C@@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1 920265003 HZLSEQPIFOTGRC-URXFXBBRSA-N 476.026 6.558 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1cc(C)on1 920357095 TXXLHDRJOVOXCE-HSZRJFAPSA-N 476.602 5.323 30 20 JKED N#C[C@H](C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(-c2c(F)cccc2F)cs1 920806721 ONSMUFJMXKELSX-QGZVFWFLSA-N 471.488 5.433 30 20 JKED C=CCCO[C@H](C)C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 921149549 TWDPVGAYFWHPGX-CQSZACIVSA-N 491.915 5.071 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2coc3ccc4ccccc4c23)n(Cc2ccco2)c1C 921249919 MQAYLFCPWQWHIE-UHFFFAOYSA-N 481.508 5.242 30 20 JKED C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 1524021530 QWNVWQMUCXORGZ-IHRRRGAJSA-N 452.605 5.215 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1780956875 PFCFVJPBJXFNNS-SNYIIPAISA-N 498.973 5.255 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5ccc(Cl)cc5[nH]4)cc3)CCC2)c1 1785793022 RPACLVKAPYJYDD-UHFFFAOYSA-N 457.921 5.083 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CCC2)cc1 1785937285 QNOWZRMWOIMSME-UHFFFAOYSA-N 461.953 5.028 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)CCc5cccc(C#N)c5)cc4)CCC3)[nH]c2c1 1786040714 MRLGNRIWIBFGNK-UHFFFAOYSA-N 492.579 5.429 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cn3)cc2)CCC1 1786873704 XHWSERHCLKDVIL-OAQYLSRUSA-N 479.568 5.122 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]21 1788522745 KZMMKHAEQZWUMO-VYXFNHLNSA-N 499.095 5.362 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1 1788649705 ROHGMPZCVXDCND-DHZHZOJOSA-N 454.935 5.181 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)no2)cc1 1788683932 ZRJXGFMDNCVVQO-UHFFFAOYSA-N 492.535 5.283 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C4=NO[C@H](c5ccccc5)C4)cc3)CCC2)cc1 1789143733 BSQBIMLAGQOYSB-SANMLTNESA-N 478.552 5.018 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(F)cn34)CCC2)cc1)c1ccccc1 1789601030 XPPHHWJDDMDVEL-VWLOTQADSA-N 494.570 5.418 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4F)cc3)CCC2)cc1 1790070933 CCJCQONNERJEMC-UHFFFAOYSA-N 466.516 5.435 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)cc1 1790286958 QZXZPRFGSXVSLR-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)CCC3)cc2)cc1 1790290251 OJELHAHNJXOSTC-CCDWMCETSA-N 465.578 5.194 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)CCC2)cc1 1790569706 PQSWVUXVSROJTE-IBGZPJMESA-N 492.620 5.220 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CC[C@@H]4CNc5ccccc5C4)CCC3)cc2)cc1 1790706258 TYRICSOLUDJYQX-QHCPKHFHSA-N 492.623 5.565 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4Cl)CCC3)cc2)c1 1790762735 UXEYQULCJALFSV-UHFFFAOYSA-N 487.922 5.240 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCCCNC(=O)OC(C)(C)C)CCC2)cc1 1791298930 GHKKGYQOPMUKPZ-UHFFFAOYSA-N 479.568 5.027 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CCCc3cccnc3)cc2)CCC1 1791951915 HSLYMYBIFIOCRM-BUHFOSPRSA-N 473.598 5.039 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc(Br)ccc3s2)cc1 1798080205 HQUPJHCJTONPNS-ACDBMABISA-N 494.414 5.101 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(-c3ccccc3)cn3ccccc23)cc1 1799192344 AWEGKAYYNDJGEW-QEIWAGNOSA-N 474.564 5.044 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1803084690 VCXPTKMNPGMCTG-XHYPSFNUSA-N 469.585 5.315 30 20 JKED Cc1cc(Cl)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)c1 1803640740 YSYBFGYTXVTUQE-WKCHPHFGSA-N 475.898 5.105 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ncc(C(F)(F)F)cc3Cl)CC2)C1 1804865504 XPAVFEQAGYPLPT-UHFFFAOYSA-N 485.978 5.591 30 20 JKED CC(C)[C@H](C(=O)N1CCC2(CCCN(C(=O)CCc3cccc(C#N)c3)C2)CC1)c1ccc(F)cc1 1805331532 NPNAIKRVVSHBFL-NDEPHWFRSA-N 489.635 5.301 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 1806681784 PGLNHDFOMYUXOF-UHFFFAOYSA-N 475.869 5.411 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808160554 VZOKPVICMGOKJR-FNZWTVRRSA-N 477.008 5.038 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C(C)(C)C)s3)[C@@H]2c2cccnc2)c1 1808802377 LKNDCCUAHMCHLB-BWKNWUBXSA-N 486.641 5.254 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1810181209 FGMQOFQGIKMXBC-XLGIIRLISA-N 489.019 5.371 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)C3(C#N)CC3)[C@H]2c2cccnc2)cc(C(C)(C)C)c1 1811413598 WPXGNALVMMMPAT-BWKNWUBXSA-N 486.660 5.300 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1812828569 VFMRUSDXOSBDKG-BDYUSTAISA-N 461.650 5.446 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814373642 XXQQAHPFBDCPNV-NRFANRHFSA-N 451.958 5.044 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1814828453 MSVRPLQQQNAJAS-QHCPKHFHSA-N 477.996 5.686 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4c(s3)CCC4)n[nH]2)c1 1816617936 BMPPBJCPZBVUAC-HRAATJIYSA-N 473.602 5.207 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccnc4ccccc34)n[nH]2)c1 1818445523 YUWDPGXMVSWUOK-IQGLISFBSA-N 478.556 5.205 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)c2[nH]1 1818649224 CYAVBNLXFRIHJQ-XMMPIXPASA-N 480.572 5.010 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc(F)c3)CC2)[nH]n1 1819302860 NSBCBWJVXYVQMK-RBBKRZOGSA-N 450.558 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2)n[nH]1 1820527554 RZJILVCWLFEFFB-ICSRJNTNSA-N 460.500 5.503 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1820969797 DGBNDLSBMIDVPK-KDOFPFPSSA-N 488.013 5.385 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821087788 JSQVFQGBGOHHTC-KRWDZBQOSA-N 486.947 5.307 30 20 JKED CCOc1ccc(Cl)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1821154059 KNXPMQDOLFHGSM-QFIPXVFZSA-N 491.979 5.148 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274659 KCSLEKKDXGSXLL-KSFYIVLOSA-N 494.020 5.421 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)ccc2n1 1821277612 DHDIYFPYHXERGS-XMMPIXPASA-N 498.974 5.411 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)n[nH]2)c1 1821849462 QUPSUDBWZRTSAM-JOCHJYFZSA-N 495.505 5.157 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)[nH]n1 1822388443 CVPBMKWOFGXUAP-QFIPXVFZSA-N 493.405 5.435 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)nc2C)n[nH]1 1822650657 AKDYVMAAESMPRB-QFIPXVFZSA-N 451.615 5.039 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)n[nH]2)cc1 1823391837 KAOJDYPVFOTROV-CUWPLCDZSA-N 487.526 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1824046128 GANLPKLWBMDBAZ-SQJMNOBHSA-N 454.655 5.411 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)CC1 1824146697 KFCPSMGIUNRBDZ-DEOSSOPVSA-N 467.629 5.393 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824876579 SSNWXHMSTHBJCD-LJQANCHMSA-N 496.467 5.810 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1824960787 VVINCXBMEXDIRQ-AUSIDOKSSA-N 496.639 5.434 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cn1 1827679659 NJCWKXJBBUDBGH-YUAYGMJFSA-N 493.673 5.113 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc([C@@H](C)C#N)c3)sc2C1 1827696847 GMMBXEHOWWIWGB-JIFRPHPKSA-N 474.586 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828157313 YSFJGCLXBVOTDC-RUZDIDTESA-N 469.576 5.448 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1828822057 VOYFLGNYMWWIFR-ADAXEVCTSA-N 459.634 5.569 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1828824696 OMFUWNGHTOZPMG-IFMALSPDSA-N 489.056 5.359 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830188975 MSGDPWRJQSPLJG-MHZLTWQESA-N 488.031 5.035 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)cc1 1830628976 QUIPUOHBSKEQQI-VWLOTQADSA-N 455.558 5.046 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830632210 DWUUNPRPMQBOKJ-MHZLTWQESA-N 487.644 5.477 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)cc1 1830633692 PZBUMGWBODWPJA-UPXASZCJSA-N 495.545 5.117 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cnc4ccccc4c3)CC2)c1 1830766543 ICWSUVLXGHGXHQ-LJAQVGFWSA-N 494.639 5.281 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(OC)cc2)CC1 1831200138 RAFKEAPDZLRNPW-LDIXVZMTSA-N 464.650 5.487 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1831444931 RUXXOTKFTNMQJW-XMMPIXPASA-N 481.587 5.502 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1831447081 WVTKIPHRTBZTOL-HNNXBMFYSA-N 465.393 5.500 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)cc2Cl)CC1 1831774111 WELDRVXCXRMSTC-ZIDCQCFHSA-N 471.041 5.447 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1832631993 JZGINDBSMVRRGV-GCJKJVERSA-N 491.682 6.137 30 20 JKED Cc1cc(F)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634233 RUQKIRIZFUIQJP-IBVKSMDESA-N 461.581 5.308 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832686602 BQSMMLLLVOADNK-OAQYLSRUSA-N 471.935 5.037 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719680 OXKXBWYPTCCMDR-YVEFUNNKSA-N 463.858 5.198 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1832984479 ZKXUXSVOXHKYIJ-ZBAJWAEMSA-N 498.614 5.255 30 20 JKED Cc1nc2cc(C(=O)N3CCCC34CN(C(=O)c3ccc(C#Cc5ccccc5)cc3)C4)ccc2s1 1843765657 XZSYLRQOWBZQBJ-UHFFFAOYSA-N 491.616 5.135 30 20 JKED CC1(C)CCC(CC(=O)N2CC3(CCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)CC1 1845513936 RHFJMGQWPSBTDI-UHFFFAOYSA-N 461.528 5.001 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)C3)c1 1846830682 VPBVXPFAOIJZNS-MOPGFXCFSA-N 483.534 5.039 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CC2(CCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)C1 1846986509 ZLHULNMXHQYLMF-HDJSIYSDSA-N 480.424 5.030 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)ccc2c1=O 9803870 NTVUEQKFXXWQEL-UHFFFAOYSA-N 460.540 5.367 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2ccc(CC)cc2)cc1 10173457 ABBVHKIBJPGBQO-UHFFFAOYSA-O 468.440 5.912 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)cc1 10173947 ZGKRIDLZCDJCBA-UHFFFAOYSA-O 462.639 5.613 30 20 JKED CCOc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3)=C2C)cc1 11206719 IHLVJPCDHVQWAK-VWLOTQADSA-N 468.582 5.305 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2scc(-c3cccs3)c2c1=O 11382874 PECBZQWFVOXKCT-UHFFFAOYSA-N 499.639 5.121 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15247896 MKLDVZCLXYIGSC-UHFFFAOYSA-O 461.350 5.548 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)cc1OC 16220549 HFWHRUXTRIUYHU-UHFFFAOYSA-N 495.605 5.280 30 20 JKED C[C@@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C#N)c2C1 20865092 YDFLOFZKELLHCY-APVMCDBPSA-N 483.549 5.679 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)n1 26143629 BRENYAFUIQPMBJ-LBPRGKRZSA-N 472.330 5.182 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)CC1 28298343 QXQQODQRTVCPCC-PQYNRNFHSA-N 494.709 5.226 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28610622 DJLNFGQQZYROHT-UHFFFAOYSA-N 493.629 6.106 30 20 JKED C[C@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 31755700 DHTUMGLVDRVILM-NSHDSACASA-N 496.614 5.332 30 20 JKED Cc1noc(C)c1COc1cccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 59326935 RHOGXPQKAGVWBB-UHFFFAOYSA-N 469.516 5.724 30 20 JKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 106033977 XGDFJBFRTDJZJB-UHFFFAOYSA-N 489.963 5.634 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cc2Cl)c1 303215928 STHRJIFHAFYNQG-FQEVSTJZSA-N 465.962 5.095 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c1 303216406 SWUSFDYZMPCPOI-UHFFFAOYSA-N 471.603 5.550 30 20 JKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 480319471 LMOIQKCHYUVAPQ-UHFFFAOYSA-N 470.573 5.202 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)s2)c(C(F)(F)F)c1 487288119 AMGMFQBBKCRACS-KRWDZBQOSA-N 484.503 5.154 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 488577690 GFKTXQUGJNRRHS-UHFFFAOYSA-N 484.330 6.122 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 490747703 ULSHNJXEBRTNMA-BVZFJXPGSA-N 459.521 5.230 30 20 JKED COc1ccc(Oc2cc(CNC(=O)c3cccc(OCc4ccccc4C#N)c3)ccn2)cc1 498614783 KMUHPCWRMXGCIF-UHFFFAOYSA-N 465.509 5.263 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nnc(-c2ccccc2)o1 499297331 XPURWPDWQLHXAO-OAHLLOKOSA-N 453.955 5.600 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 502672872 XPSJZEKOTAPBCY-UHFFFAOYSA-N 470.529 5.242 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 505679351 VUIKTHJOCUKOTB-UHFFFAOYSA-N 484.537 5.249 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 509519386 JUBUJIZXGNTSTL-UHFFFAOYSA-N 481.556 5.404 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)c2)cc1 509909106 FWOJDWBCMXMTSV-UHFFFAOYSA-N 489.019 5.725 30 20 JKED C=CCN(C(=O)c1nnn(-c2cccc(Br)c2)c1C)c1nc(-c2ccccc2)cs1 510637271 GGVQWNSUNFQKFR-UHFFFAOYSA-N 480.391 5.295 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cc4C)CC3)c2c1 510872157 KOFWQRNXTSLSRO-UHFFFAOYSA-N 480.568 6.560 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 511421266 KIGQVYHNRCMJHV-UHFFFAOYSA-N 482.515 5.980 30 20 JKED CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1Cl 511431794 KCIFUBRXTVTPEE-URXFXBBRSA-N 495.410 5.006 30 20 JKED C[C@@H]1Oc2c(cccc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC1=O 511766035 ZTZDWFGMNZIMKD-IINYFYTJSA-N 458.326 5.326 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(-c2ccccn2)n1 514338078 PXNYFYCHPSTXHK-UHFFFAOYSA-N 455.996 5.507 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nc1 514519941 ZNOAPXXPQCTOIX-UHFFFAOYSA-N 468.913 5.404 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)o1 515542458 OWLDKVJZHPVARN-JWDGYQHVSA-N 478.643 5.720 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(Br)cc1F 515657064 UXSXOTHWFNIBQI-QFIPXVFZSA-N 472.745 5.431 30 20 JKED N#Cc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c(C(F)(F)F)c1 515752503 XOYLACUTLVBKIY-UHFFFAOYSA-N 451.857 5.021 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCOCC1 516754255 FTYAAGXFAMMSCG-UHFFFAOYSA-N 497.020 5.137 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cn3)o2)cc1 518688734 NNILBZFTQBUZPJ-UHFFFAOYSA-N 452.495 5.654 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)cc1C 519427399 DLUOCQPXUAOWBE-UHFFFAOYSA-N 463.541 5.330 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 519874515 YMWVVUSYYSWDRW-UHFFFAOYSA-N 482.540 5.213 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H](c3ccccc3)C3CCCC3)c2)cc1 520069942 FKBQSNUJGJZRSX-HHHXNRCGSA-N 467.569 5.318 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 521055673 POOODCDTIJIABC-UHFFFAOYSA-N 467.953 5.801 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 521720783 URLHOMZPDASLAA-KRWDZBQOSA-N 490.610 5.020 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)cc1 523962216 DQWRCRVSCRZFTF-UHFFFAOYSA-N 494.035 5.111 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 599229040 MFBWIBREMBMTKK-UHFFFAOYSA-N 470.381 5.526 30 20 JKED N#Cc1c(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)sc2c1-c1ccccc1CC2 603991885 FAKJPYPFFDWKGU-UHFFFAOYSA-N 469.591 5.629 30 20 JKED CCCOc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 604136604 BXCLMTRTAFYYEZ-UHFFFAOYSA-N 493.947 5.056 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)c3cccs3)cc2)cc1 604464561 FUVXCEUNXMDIHT-XMMPIXPASA-N 487.968 5.910 30 20 JKED C=C(C)COc1cccc(NC(=O)CCSCC(=O)Nc2ccc(Br)cc2)c1 608965790 HFHWWFVGUHAQOS-UHFFFAOYSA-N 463.397 5.105 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cs2)cc1 609065098 WKKRZBXPTGTGDC-UHFFFAOYSA-N 469.566 5.662 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 609085805 XRHAWVTVCWIVJW-NYHFZMIOSA-N 483.540 5.579 30 20 JKED CCOCCOc1ccc(Cl)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 609103553 JVQMFWHDFSVANN-UHFFFAOYSA-N 450.922 5.458 30 20 JKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(OCc2ccccc2)cc1 609173494 RXKVSONKLDCPAP-MHZLTWQESA-N 479.511 5.652 30 20 JKED N#C[C@@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc2cc(C(F)(F)F)ccc2s1 613405309 XKKPZUQFUXBQED-LBPRGKRZSA-N 465.250 6.314 30 20 JKED C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 620001969 IOGKYWDKAUDRBA-ZZVYKPCYSA-N 480.371 5.897 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 642252185 USJJYQGOJPDBDY-RUZDIDTESA-N 454.599 5.835 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642677863 BMXOOURTBFQTKQ-YUMQZZPRSA-N 486.306 5.920 30 20 JKED Cc1c(NC(=S)NN=Cc2ccc(-c3ccc(Cl)cc3)s2)c(=O)n(-c2ccccc2)n1C 725737667 PRFLNBSVQBJJGV-UHFFFAOYSA-N 482.034 5.187 30 20 JKED CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 726074149 MMEMVEMVRFDVKB-AREMUKBSSA-N 484.600 5.731 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccccc4Br)n3C)n2)cc1 726325388 QTFNOFGFUJOXKW-SFHVURJKSA-N 492.398 6.077 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(Cl)c1 726395255 YNEJOQIILCQZLR-UZLBHIALSA-N 459.999 5.034 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccc(C)s2)cc1F 726413806 VGKOMDIGBAHMFS-JOCHJYFZSA-N 497.617 5.042 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccccc2CC)c1 726572770 NLXLTCJAMIKLRB-UHFFFAOYSA-O 484.645 5.638 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1 728777245 FCCQABRNYINDCN-QUHLBDQHSA-N 454.621 5.140 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)cc1 728779306 XZGJEIGQLCDLRK-NRFANRHFSA-N 482.993 5.197 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1Cl 728779532 JONGVAXPESYONW-LJQANCHMSA-N 493.391 5.787 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c1 728780457 UGYREWUAVHJCSF-QFIPXVFZSA-N 466.582 5.603 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CCC#N)CCC(C)C)ccc1Cl 728871232 LENJIXWVGRUBGG-UHFFFAOYSA-N 474.026 5.123 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729146234 QEXMBCFSFBROAC-PZJWPPBQSA-N 459.974 5.088 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(C#N)cc3F)C2=O)cc1 729818687 CXSSPUODHRXEDY-HSZRJFAPSA-N 472.545 5.166 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cocn3)C2=O)cc1Cl 730711542 DUSCSZMLVCILIA-NRFANRHFSA-N 498.992 5.114 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2Cl)o1 730716716 YVPYLZVPMJQBAG-KKVAFCGZSA-N 495.992 5.007 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)cc1 730717080 DRFCBNNTHLWEBH-HSZRJFAPSA-N 470.554 5.297 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 731068200 VKFZXJKWHXLQOE-CQSZACIVSA-N 471.991 5.653 30 20 JKED N#CCOc1ccc(CSc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)cc1 731158532 CSSBVEXLXHWSCX-UHFFFAOYSA-N 486.988 5.513 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccc(C)s2)cc1 731305959 QQXSADQSCQGVFR-AOMKIAJQSA-N 495.626 5.492 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cscn2)cc1 731306920 FIHSKWWYFLHGGQ-OAQYLSRUSA-N 480.615 5.133 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)CCc2ccco2)c1 731308794 PPJMVQSULZSESN-MBSDFSHPSA-N 477.586 5.275 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747599223 HOJYGXZRFNUTOD-GOSISDBHSA-N 474.970 5.096 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cscn3)C2=O)cc1Cl 747600322 PNWBONZLJVOVHN-LJQANCHMSA-N 488.997 5.405 30 20 JKED CCCOc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)cs2)cc1 750278214 WPOIEOGPAYEFHR-AWEZNQCLSA-N 469.950 5.308 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)cs1 750916243 LFMSRDAXOXDIMR-GDNBJRDFSA-N 474.529 6.494 30 20 JKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 791472874 KFWDGYRAKPSDPI-HCYKCRJESA-N 495.579 5.086 30 20 JKED N#Cc1ccccc1NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 856433305 WWAJFMPPVFNSMR-UHFFFAOYSA-N 460.609 6.080 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2n1C(F)F 915104234 NQZDYOUUMCJMTF-SCLBCKFNSA-N 477.298 5.219 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC1CCCC1 915772299 NPDNPYHZGHQNKY-RXFWQSSRSA-N 497.595 5.488 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1cccc(C(F)(F)F)c1 916204925 KMQRLKGYHVDFME-NRFANRHFSA-N 498.530 5.303 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccccn3)C2=O)cc1 916207968 QDRFGCHCAHOGAC-DEOSSOPVSA-N 486.597 5.062 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccc2)cc1 916215425 VKHQPRGGLQEECI-HSZRJFAPSA-N 477.561 5.037 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2)c(C)c1Cl 916887579 PKWXVVRMTFMAFI-SFHVURJKSA-N 474.920 5.418 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 916889498 HMKYDTITFLKWHN-UPVQGACJSA-N 464.974 5.519 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916903521 SYUJPWBZUNJYQD-REWPJTCUSA-N 488.927 5.072 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 916914167 WEGBZUIHRDZSOH-DEOSSOPVSA-N 464.525 5.071 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc(-c3ccco3)nc21 916916183 PLLJYQNFYAUNIH-HXUWFJFHSA-N 463.497 5.387 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1c(C)nn(Cc2ccccc2Cl)c1C 917029573 GLNGCSZIVBDVQI-UHFFFAOYSA-N 466.998 5.030 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc(SCc3ccccc3)cc2)n1 917076611 SFQRLSPYRDWMPD-UHFFFAOYSA-N 479.656 5.345 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)Cc2ccc(OC)c(F)c2)c1=S 917357984 JHOKCJBTNSKUSW-UHFFFAOYSA-N 462.978 5.070 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)NC(C)(C)C)cc1 917613192 GIMXTVQWLWQKLS-UHFFFAOYSA-O 482.714 6.274 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CN2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C(C)C)cc2)c1 917665780 KOKXOCRNXOQMCB-FDDCHVKYSA-N 494.661 5.062 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 917677680 HIKNESGTPBDTJV-OAQYLSRUSA-N 496.495 5.034 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 918030692 UCIOCIDVTJLENC-UHFFFAOYSA-N 452.555 5.006 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c12 919206059 SJLORKVRHDYDOU-SFHVURJKSA-N 493.583 5.249 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc(-c2ccccc2)cs1 920113635 IWCPXAIGLKQTOZ-KRWDZBQOSA-N 478.371 6.037 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OCC(F)(F)F)cc1 920321447 KESBMAWEEPHJAG-HXOBKFHXSA-N 481.474 5.099 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=Nn2c(S)nnc2-c2ccccc2)cs1 920363273 WQNYPHMZXQCNJR-UHFFFAOYSA-N 488.520 5.276 30 20 JKED O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccc(N2CCOC2=O)cc1 920750187 XTOYVMLCQCKAAT-JLHYYAGUSA-N 455.539 5.513 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 920867454 RXVYDWLTTUJFCQ-GAJHUEQPSA-N 479.577 5.222 30 20 JKED C[C@H](COCC(F)(F)F)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 921255340 ZAPNDELVPYHMPA-RDTXWAMCSA-N 499.942 5.268 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)C1 1782156591 BCXFYQVWZFYTPY-MUUNZHRXSA-N 482.571 5.068 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)C45CC(C(F)(F)F)(C4)C5)CCC3)cc2)c1 1786036109 KGFZFPMVKMUXSZ-UHFFFAOYSA-N 481.518 5.358 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)CCC1 1786201040 ICBSCJSXGCUEAO-UHFFFAOYSA-N 484.543 5.394 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)cc2)CCC1 1786334247 YZNXNXGETFJCJX-YADHBBJMSA-N 454.517 5.144 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OCC)CCC2)cc1 1786679159 JVABTFVISQDNLA-UHFFFAOYSA-N 459.011 5.406 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2)CCC1 1788685681 QRPMAKPOGBTBDY-UHFFFAOYSA-N 472.614 5.455 30 20 JKED Cn1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)c(C(F)(F)F)c1 1788823018 GLUNQKPZZXQGQO-UHFFFAOYSA-N 498.480 5.045 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4sccc4Cl)cc3)CCC2)c1 1789899917 ICRNNOGFYSQGDO-UHFFFAOYSA-N 465.962 5.343 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccccc4)CCC3)cc2)c1 1790072536 CZWLBJWOAAWXAS-UHFFFAOYSA-N 471.582 5.107 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1 1790472500 FPFAERZDYRVZLD-OAQYLSRUSA-N 495.645 5.193 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC(F)(F)C4)CCC3)cc2)c(Cl)c1 1790766482 ZAJGLCWEIJHARS-INIZCTEOSA-N 457.908 5.395 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791244569 VKKPFRYKMHYTOL-XQBPLPMBSA-N 469.626 5.026 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC(c5ccccc5)=NO4)CCC3)cc2)c1 1792122528 BTQDTVAUPWOKGU-DCFHFQCYSA-N 492.579 5.255 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC)c(Cl)c4)cc3)CCC2)c1 1792142647 BMDMCXDNMSJQOU-UHFFFAOYSA-N 489.959 5.290 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(OC)ccc3NC(=O)OC(C)(C)C)CCC2)cc1 1792268618 TWRANICXNPFNGQ-UHFFFAOYSA-N 491.588 5.203 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3ccc(Br)cc3c1C)C2 1793054506 BMERMCODSKLHPW-ACDBMABISA-N 484.438 5.259 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2 1796472239 GJPJMNFUBCINRR-ZBCONREDSA-N 478.596 5.250 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)c(F)c2)C3)c1 1803680515 GBOXGQGCTSCMPA-NEBIIKFJSA-N 481.571 5.685 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)c(F)c4)C3)CC2)c1 1805221928 MAVLEQIIJIPFII-IBGZPJMESA-N 481.999 5.194 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC3(CCCN(C(=O)C4CCC(C(F)(F)F)CC4)C3)CC2)cc1 1806469970 AMEBEZISLHSRRK-UHFFFAOYSA-N 489.582 5.091 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1808462898 ZZFQKXFYGWHBLA-ILBGXUMGSA-N 486.616 5.357 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)oc2ccccc12 1811418997 DPVHPNYJBLOTIJ-NBGIEHNGSA-N 498.970 5.295 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811442012 KNEKBJNFPXKMIR-VLUSQRCCSA-N 471.576 5.420 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1811749125 MIANYJIBBAHMCZ-IBVSPSLBSA-N 493.051 5.389 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cc3cccc(F)c3)c2)[C@H]1c1cccnc1 1814008746 ILQSYYRBABASKJ-JKJMAWGESA-N 485.603 5.343 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C(F)(F)F)cn2)n[nH]1 1815906581 TUUBRKDEIKNOAF-TZIWHRDSSA-N 489.542 5.217 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165141 DSRYLIXJITWCPY-HXUWFJFHSA-N 464.953 5.433 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn3cc(Cl)ccc3n2)n[nH]1 1818521151 YFXLEZGOMUKWGM-IBGZPJMESA-N 468.989 5.009 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)n[nH]2)cc1 1818931292 NIXGKXDYJPLZRG-HBAHCVPVSA-N 473.621 5.388 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(OC)cc2)[nH]n1 1819309968 MOOFQLNIDMXVKX-PPIOEHGWSA-N 462.594 5.282 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)[nH]n1 1819554261 OMJWPZOYLRRIHZ-HXUWFJFHSA-N 497.043 5.572 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[nH]n2)c1 1820310533 VFUINJKLWMLOOD-KRWDZBQOSA-N 491.766 5.189 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820822751 AHCFWCPAHUOVFD-XMSQKQJNSA-N 477.996 5.070 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)ccc1F 1820915689 YQIOXFDMRVSKIB-LJTKGQTQSA-N 497.530 5.115 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)ON=C(C)C)n[nH]2)cc1 1820975580 AJRLVCJJSQGNGD-YKSBVNFPSA-N 481.641 5.178 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccc(F)cc34)[nH]n2)cc1 1821182816 IFKJMBVKNDIMHR-VWLOTQADSA-N 498.562 5.035 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)[nH]n2)c1 1821272353 CMPJBJQPEAFKNO-QFIPXVFZSA-N 491.954 5.112 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)[nH]n2)c(Cl)c1 1821276456 UBAYIURNVBFXQW-OAQYLSRUSA-N 482.371 5.137 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523054 PVSHSMUXMVYDIW-GBXCKJPGSA-N 491.617 5.411 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1821811625 QMKQTIQDYALDAF-WYEJZRMESA-N 487.579 5.361 30 20 JKED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2C1 1821909368 ZITBSVVTOYYNAB-LJQANCHMSA-N 491.613 5.144 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1821920544 LWOZPCMYMBAXGT-NTKDMRAZSA-N 457.578 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)cc2Cl)n[nH]1 1823247613 JKQWZGDLELAKPL-UWJYYQICSA-N 456.974 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ncc[nH]4)cc3)n[nH]2)c1 1823271177 PQXKHBWLSBXBGU-MHECFPHRSA-N 493.571 5.047 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)[nH]n1 1823420385 WIAUSCRYCDVYED-KRWDZBQOSA-N 485.407 5.106 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)C1 1823701405 JLSXXOBPZFSCNW-MHZLTWQESA-N 459.634 5.294 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c1Cl 1824037610 FWJYECCYXIJWKP-GVAUOCQISA-N 494.010 5.388 30 20 JKED Cc1csc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824051058 FNSSZLWZZUTXRS-AREMUKBSSA-N 477.674 5.113 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2F)CC1 1825374965 TUROCYPBPSNBFM-NRFANRHFSA-N 492.111 5.159 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)c1 1826471702 MNEHEDXUUCEULA-SANMLTNESA-N 478.036 5.007 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1826691390 RQRHMCVGAAMRNH-VWLOTQADSA-N 468.601 5.143 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)CC1 1827264946 AGKABJHHAPRJFU-GOTSBHOMSA-N 478.662 5.207 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1828169839 WQAVVVGLMXBARN-QHCPKHFHSA-N 498.465 5.357 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1 1828825463 WWDKRBGSDFXUFZ-UIOOFZCWSA-N 482.665 5.025 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c1Cl 1829689448 FUEMXMJBMPBHAC-JOCHJYFZSA-N 470.400 5.412 30 20 JKED COc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)cc2ccccc2c1Cl 1829708024 RMLLSEARALBZTK-JOCHJYFZSA-N 480.008 5.039 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccc(F)cc3)CC2)cc1 1830015168 LHGJYMUGXOZYGJ-HHHXNRCGSA-N 496.586 5.306 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)cc1 1830351359 ILNRHQUWRPRWKV-BKJWKRJESA-N 461.650 5.247 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CCC1 1830492283 ALDFISBQCVANID-AREMUKBSSA-N 471.601 5.406 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 1830545948 WHGHYPAUUXHFFA-LJQANCHMSA-N 487.360 5.277 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)cc1 1830628538 KOLCXFIYQNELBC-WIABGLAMSA-N 475.677 5.592 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830719459 ZBGASUIGIPOZHF-HTAPYJJXSA-N 485.650 5.173 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721896 SFMMSGJAKKIZGY-DYHBGCKMSA-N 480.008 5.450 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721904 SRVIUSGMJRKOHW-QPPBQGQZSA-N 454.014 5.213 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060745 SAVVBHLHLXWSMH-HTAPYJJXSA-N 450.604 5.138 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)CC1 1831293671 NEOCSBJBVIMNSJ-DNQXCXABSA-N 473.057 5.279 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1831375119 MYROHHWKSKWJDW-CPJSRVTESA-N 463.597 5.333 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1)C(F)(F)F 1831451138 NGFIDLJTXQLLGK-IBGZPJMESA-N 468.903 5.438 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)CCCCC)CC1 1831462047 CVEXQFQORSUNSZ-OEMFJLHTSA-N 491.717 5.292 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1831851195 ZDTJCOYFVOCHBB-RUZDIDTESA-N 494.035 5.564 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 1832030563 SZBHUEWIOAFZJL-QFIPXVFZSA-N 495.408 5.154 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)c1 1832627640 GNPFMPCZMLMUNE-HXOBKFHXSA-N 499.442 5.563 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](F)c4cccc(F)c4)c2)C3)c1 1846829583 APMLQKSWVBBULJ-NFQMXDRXSA-N 499.561 5.642 30 20 JKED C[C@@H]1CN(Cc2csc(/N=C(\O)COc3ccccc3Cc3ccccc3)n2)C[C@@H](C)O1 14122034 IYGNHGHLQBRGCN-RTBURBONSA-N 451.592 5.010 30 20 JKED C=CCN(C(=O)Cc1csc(-c2ccccc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724067 DQUCCFWBJZSAON-UHFFFAOYSA-N 462.556 5.604 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2F)c1 15005548 OACPXSBQHLIKPM-UHFFFAOYSA-N 462.905 5.252 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O 15231840 OKPTYQGADFWSOM-XMMPIXPASA-N 489.597 5.302 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1ccc(F)cc1 22033726 XWDUNIAVEYWOGV-DEOSSOPVSA-N 488.588 6.141 30 20 JKED CC(C)c1ccc(CSc2nnc(SCc3nc4ccccc4c(=O)n3CC#N)s2)cc1 22532728 KRTVIGKOGYEPQQ-UHFFFAOYSA-N 479.656 5.480 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)cc1 22693086 TWCHDSBNEVPPQE-UHFFFAOYSA-O 465.664 5.268 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22728669 QWHZWGOCFVFYHZ-UHFFFAOYSA-O 475.678 6.845 30 20 JKED Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 23981569 AUUDBIIGMXRTJP-UHFFFAOYSA-N 494.414 5.290 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)nnc1-c1ccco1 25633940 FNPOHVRQJLMJJV-UHFFFAOYSA-N 481.990 5.635 30 20 JKED COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N 29584758 KPGVETZUEJGFCS-UHFFFAOYSA-N 478.279 5.105 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)nnc1-c1ccc(F)cc1 29845694 DLYYDPBAGOYSJT-LJQANCHMSA-N 493.589 5.395 30 20 JKED C=CCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1ccc(Cl)cc1 31843607 AYFDZUNFFVEOFL-UHFFFAOYSA-N 454.899 5.035 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)c2)c1 32288946 XVOXNDCLGOVVQD-JOCHJYFZSA-N 473.960 5.282 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2SCCC#N)cc1 78669115 OXBITIGGNSUBTQ-UHFFFAOYSA-N 455.583 6.421 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(CSc2nc3ccccc3s2)n(C)c1=S 109404348 DKTOCAWUTTVALG-UHFFFAOYSA-N 480.688 5.593 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)o2)cc1 109413682 JPCAETKXEXLCSB-UHFFFAOYSA-N 453.498 5.372 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 110688124 UMROINXJZHECKL-HHHXNRCGSA-N 467.569 5.075 30 20 JKED COc1ccc(/C=C2/N=C(SCc3cccc(C#N)c3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 209380692 HWDLNYXNCGSBKN-YDZHTSKRSA-N 489.984 5.906 30 20 JKED CN(C)[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 303123892 ASBDDUDSNATENZ-HXUWFJFHSA-N 454.983 5.277 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccc(OC)cc1 476851357 QCJAWKOUYYLLFG-OAHLLOKOSA-N 451.527 5.491 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 480842579 QLNLIKRHNGAIQU-NRFANRHFSA-N 486.591 5.807 30 20 JKED C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 482781168 LPIFBPQWVCADCQ-IBGZPJMESA-N 486.547 5.555 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc1 484295050 XRAAKQUAZNPSSW-UHFFFAOYSA-N 467.953 5.153 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)n2)cc1 497942588 BOMRHDVPLIVMAG-NRFANRHFSA-N 450.585 5.325 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cc(OC)c1OC 499015311 UHZSFZNOSLNATH-UHFFFAOYSA-N 473.356 5.201 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 502667076 WIDNZWHXKAFVRN-UHFFFAOYSA-N 491.279 5.758 30 20 JKED C=CCN(C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502961814 POCQLASUNVYJKV-OXQOHEQNSA-N 468.431 5.090 30 20 JKED Cc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1I 507910285 WKXKUDRCMGINGR-UHFFFAOYSA-N 454.267 5.516 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508284072 XLYPSLRLVBJVSJ-UHFFFAOYSA-N 472.545 5.163 30 20 JKED Cc1ccc(OC2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1C 509881601 AEGLSAASVJNCCT-UHFFFAOYSA-N 469.585 6.024 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 510236106 ARDQBPCBCSSVAF-UHFFFAOYSA-N 476.583 5.206 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 510271040 UOHIMCDKSYNFQF-UHFFFAOYSA-N 477.586 5.244 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(NC(=O)NC(C)C)cc1 510732411 PZFSZFDFGILFFB-UHFFFAOYSA-N 457.534 5.511 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(Cc1ccco1)c1ccccc1C#N 512951676 URYVHYSFOOSQOW-QGZVFWFLSA-N 477.973 6.315 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1Br 513866977 ZFAWGRXDGPPOOQ-UHFFFAOYSA-N 482.334 5.452 30 20 JKED C[C@@H]1CCCN(c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2[N+](=O)[O-])C1 514030591 IAFCTAKQWUCPIJ-MRXNPFEDSA-N 461.547 5.002 30 20 JKED Cc1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)cc1C 514768700 JMWHYFBEQGGHJD-ZDUSSCGKSA-N 452.605 5.532 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)c(F)c1 514864478 JKQJXSFFUINOKZ-UHFFFAOYSA-N 488.569 6.183 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 516038916 IMQBHTMBCFJKNF-RUZDIDTESA-N 496.954 5.552 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1)O[C@@H](C)C2 517404942 ZNINRAXEOOVDNE-VVMVZBAXSA-N 484.621 5.859 30 20 JKED C=CCN(C(=O)NCc1ccccc1Sc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 517515519 LIPJGNPHONDJPT-FQEVSTJZSA-N 470.602 5.272 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1S[C@H](C)CC#N 517528401 XAPFNLFADVRKJT-OAHLLOKOSA-N 462.388 6.203 30 20 JKED CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 517891889 FRDITFDRSBLYEJ-UHFFFAOYSA-N 454.530 5.119 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc2c(cc1Br)OCO2 518147727 RQUFFDCHASPQJC-ZDUSSCGKSA-N 479.421 5.301 30 20 JKED C=CCN(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)[C@H](C)c1cccc(-n2cnnn2)c1 518256439 WHPLPXPWSNIEFO-MRXNPFEDSA-N 479.997 5.144 30 20 JKED Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)c1 518709309 SEMMHLGNKUGNMI-HXUWFJFHSA-N 474.369 5.097 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520562787 LOLYQGADOUHSKL-UHFFFAOYSA-N 487.968 6.879 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CCOCC1 520856973 ZMPZLMBEYFIHSR-MRXNPFEDSA-N 474.424 5.528 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)ccc1O 520909727 VXRAZMUZOMGSHM-UHFFFAOYSA-N 461.493 5.187 30 20 JKED CCc1ccc(-c2noc(CSCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1 521734562 QTRGJXBXWFFQGD-INIZCTEOSA-N 452.605 5.423 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)cc2)c1 521793106 VPJRHMQZZNHFOZ-UHFFFAOYSA-N 450.376 5.672 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 524565675 CRMWBZBYFAWCKN-RBUKOAKNSA-N 469.630 5.102 30 20 JKED CCC(CC)(CNC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)c(Cl)c1 578733698 YONAVLGLJZBHGI-UHFFFAOYSA-N 478.445 5.812 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 590335809 DLAFTWVHEAHPPH-KRWDZBQOSA-N 477.380 5.349 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccc21 590880730 KUORUIVPNNERPD-SFHVURJKSA-N 471.504 6.023 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 597226193 IVTAVIXPIWVQTB-LJQANCHMSA-N 483.572 5.772 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1Cl 603829018 OWFSSJVVVDYQCY-DENIHFKCSA-N 470.960 6.548 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 603962388 SVOZKQNADPLADR-HJPURHCSSA-N 463.990 6.073 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc(C3CC3)nc21 603995727 WTHQWKYVXZNIHE-UHFFFAOYSA-N 464.529 5.266 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)c2)c1 604007116 MUEXWBODQWUQGJ-MHZLTWQESA-N 471.557 5.656 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604016047 FFVPRXQUPCEETF-SFHVURJKSA-N 483.499 5.613 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 608876418 LPDFGPSDHBLSAD-HSZRJFAPSA-N 476.964 5.491 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609078977 GDNRLUXIPSGMMS-BWTSREIZSA-N 499.455 6.477 30 20 JKED Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1S(=O)(=O)Nc1cccc(Cl)c1 609159452 LCTMFMFNYKVAMG-UHFFFAOYSA-N 478.961 5.180 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)cc2)cc1 609207936 QTPGKFYQOKTMAO-UHFFFAOYSA-N 465.513 5.812 30 20 JKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)c2ccc(C#N)cc2F)cc1 609217812 UJIPFOYZTNQCQA-HKWRFOASSA-N 463.512 6.018 30 20 JKED CN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@H]1CCCc2ccccc21 609401499 APORWPPDXAIEIO-IBGZPJMESA-N 461.509 5.186 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 609438099 BQKXJVSUQVACPT-QGZVFWFLSA-N 462.550 5.794 30 20 JKED C=CCn1c(SCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)nnc1-c1ccoc1C 613908643 WSNVNHXTACCVNN-HSZRJFAPSA-N 497.624 5.554 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)C(C)C)nnc1-c1ccc(Cl)cc1Cl 642038322 LUCJUANCXXIGJH-UHFFFAOYSA-N 465.406 5.560 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2OCC)nnc1-c1ccc(Cl)cc1Cl 642045988 ZQURVMNDZLXIMZ-HNNXBMFYSA-N 491.444 5.806 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1=S 725785937 CUHZCPVIZNGZIM-FQEVSTJZSA-N 483.726 5.395 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/CCc3ccccn3)N(Cc3ccc(Cl)s3)C2=O)cc1 726109151 NQWFHFOYPYCSQL-QJOKQGFGSA-N 499.061 5.176 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2c(F)cccc2F)n1 726320351 XDCGDSLKKLJKNY-INIZCTEOSA-N 475.476 5.842 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 726392289 GASUNWCSFHJGLH-WAIKUNEKSA-N 497.567 5.503 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CC[C@H](C)OC)C2=O)cc1Cl 726397254 HILKOUOOMGOMKS-HRAATJIYSA-N 490.025 5.042 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C#N)c(Cl)c2)n1 726405477 FKROJEFOHQKIPE-QFIPXVFZSA-N 489.988 5.076 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC)c(F)c3)N(Cc3ccccc3)C2=O)c1 726416976 WEIJGBPODCAIKM-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S/C1=N\[C@@H](C)c1cccs1 726419413 FCRILKCLQWCCBH-XNHVBAIZSA-N 451.564 5.216 30 20 JKED COC(=O)Nc1cc(NCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 727433408 LFNSOWYRLNPOOB-UHFFFAOYSA-N 453.314 5.092 30 20 JKED CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1sc(-c2ccc(Cl)cc2)nc1C 727651411 XEJGNXJIQVQQEB-UHFFFAOYSA-N 455.939 5.604 30 20 JKED Cn1c(-c2cccc(OC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2)nc2ccccc21 728419788 RHXRDYGXMYPLMG-UHFFFAOYSA-N 492.495 5.145 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2cccc(C(C)C)c2)no1 728425799 PKZWLZCXTVBVRU-HSZRJFAPSA-N 487.585 5.139 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1c(Cl)ccc(C)c1Cl 728428972 DNHHTJWAADVQOQ-SFHVURJKSA-N 488.396 5.098 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1scnc1C 729144853 ZOSWZYOIGHAIMC-FQEVSTJZSA-N 489.626 5.101 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)c1 729634406 LUOIXAUKFJOAEU-XMMPIXPASA-N 472.614 5.476 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCc3c(C)noc3C)C2=O)cc1 730443573 PQBFQDCWJPEIOO-NSJWOJMJSA-N 496.658 5.294 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCC2)c1 730463278 WDNOSRWIEJVKAZ-JOCHJYFZSA-N 485.581 5.136 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1 730474739 MQUBENYQTDLNHU-GOSISDBHSA-N 481.865 5.847 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 730664558 AEBHNGKKOPIUAF-UHFFFAOYSA-N 450.539 5.214 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 731062282 CXWOALFQWCUOLE-NSHDSACASA-N 457.766 5.694 30 20 JKED COc1ccc2cc(/C=C/C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2c1 731069293 IURCFDDBNXZEIF-RXNMKEHESA-N 460.555 5.295 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 731288527 TYRPKHKHUGVQOC-RDJZCZTQSA-N 457.477 5.044 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(Cl)cc2)C1=O)Nc1cccc(O)c1 731310632 MGCGUPSHEMLYPO-OAQYLSRUSA-N 483.952 5.345 30 20 JKED Cc1ccc2c(c1)[C@H](N1C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC1=Nc1ccccc1C#N)CC2 731311578 CBHRIZCREKHRKS-RPBOFIJWSA-N 496.592 5.220 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731400446 OHXARGFZMHILBM-IBGZPJMESA-N 450.539 5.119 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)ccc1SC(F)F 746346967 VZJOIZGIFQEFKH-RMKNXTFCSA-N 478.517 6.186 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 746695759 HTIWFIFMUBTLMC-IBGZPJMESA-N 493.551 5.481 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)cc1 837545535 BEWSCFAHYIOZFU-JPYJTQIMSA-N 474.586 5.202 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccs2)C1=O)Nc1ccccc1F 837746132 ZARQQFWPPBQHBK-HXUWFJFHSA-N 471.554 5.229 30 20 JKED CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)ccn1 856656651 REDCSRBXAIXUOV-DEOSSOPVSA-N 488.563 5.018 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2)cc1 916204804 CDPYKODXTJULBI-HSZRJFAPSA-N 477.561 5.303 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 916285928 QCJMCSMHCGPSIW-UHFFFAOYSA-N 483.859 5.854 30 20 JKED COc1cc(C=Nn2c(S)nnc2C(C)C)ccc1OCc1ccc(Cl)cc1Cl 916312947 WSLDKNKALOLQKR-UHFFFAOYSA-N 451.379 5.467 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)cc1OC 916326245 INPYMUFKPTVBMD-UHFFFAOYSA-N 496.596 5.294 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc(O)c2c3c(sc2n1)CCCC3 916847097 LKTBRVFWUDUJFG-OAHLLOKOSA-N 480.496 5.018 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 916918957 SXOLAFIGVXPUBR-UYAOXDASSA-N 494.378 5.346 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 916949074 LKUHKNXWESGYKU-MGPUTAFESA-N 494.016 6.437 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(Cc4ccc(F)cc4)c3Cl)n2)cc1 916974782 QFTSBKJHXZODCR-LJQANCHMSA-N 464.953 5.954 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2c1C 916977178 MACKJHKUHXVGEK-OAHLLOKOSA-N 471.032 6.054 30 20 JKED N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997472 YLTFYLPVCOOKMF-GOSISDBHSA-N 482.392 6.971 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(S(C)(=O)=O)cc1)C(=O)c1ccccc1 918156739 STWIGAIWFSNQRK-HKOYGPOVSA-N 461.583 5.120 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1OC 918265597 PPYKRHINLXSHSL-NRFANRHFSA-N 463.921 5.219 30 20 JKED Fc1cccc(Nc2nn(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(=S)s2)c1 918732072 FOBAEUNDMKITRT-UWVGGRQHSA-N 460.444 5.577 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H]2CCc3cc(C)ccc32)C1=O 920169915 JICIBFXGMXJMDK-MOPGFXCFSA-N 475.586 5.065 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2C)no1 920353489 LAUMQFDTPRERKY-OAQYLSRUSA-N 482.993 5.414 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(-n3ccnc3)cc2)C1=O)Nc1ccccc1 921140344 NVXXERVLKFOAHN-XMMPIXPASA-N 481.581 5.033 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1343983193 QRBGEXUZTCHLFT-LJQANCHMSA-N 474.929 5.306 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)C1 1781674506 DSWCESVIIOKDJE-INNMJMHTSA-N 487.084 5.362 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cnc5c(Cl)cccn45)CCC3)cc2)cc1 1785796574 LHHQPBGNNNRGNH-UHFFFAOYSA-N 497.986 5.240 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4onc5ccccc45)CCC3)cc2)cc1 1785797363 HHJAYZOXNWRMAX-UHFFFAOYSA-N 464.525 5.080 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CCC2)cc1 1787889046 CCEHRECQSDXOKW-SANMLTNESA-N 473.523 5.936 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc4sc(C)nc4c3)cc2)CCC1 1789046358 NYAVTJTZHBJQMW-UHFFFAOYSA-N 451.617 5.272 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccc(Cl)cc4)cc3)CCC2)c1 1789153521 FDUFVEZVFWFKHL-YADHBBJMSA-N 458.949 5.091 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1789458008 JUEWKVHTAGFZAE-XZOQPEGZSA-N 493.648 5.146 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3)CCC2)cc1 1789795000 CECGXFVRYQZCEW-UHFFFAOYSA-N 489.579 5.059 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)c(F)c3)cc2)CCC1 1790094728 XLRZDBCTVXBFTC-UHFFFAOYSA-N 498.602 5.522 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)CCC1 1790130753 HNJAHIMZLLPMIS-KRWDZBQOSA-N 493.995 5.279 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C45CC(F)(C4)C5)CCC3)cc2)cc(C(F)(F)F)c1 1790785350 IWGLAMVNZYWNEW-UHFFFAOYSA-N 471.454 5.217 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791406225 OCJZBCXAGBVSEU-QFIPXVFZSA-N 495.664 5.370 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1791451164 JDNUCSRPQVVDLS-QHCPKHFHSA-N 481.637 5.288 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3)CCC2)cc1)c1ccc(O)cc1 1791646096 DLCSRTJNRSFEKT-OAQYLSRUSA-N 492.579 5.165 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCn4cccc4)cc3)CCC2)cc1C#N 1791903820 RCNOXOIURZOZBF-UHFFFAOYSA-N 484.600 5.375 30 20 JKED Cc1cc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)no1 1792124883 NLBSIDPFPSKKTQ-IENJSVCTSA-N 454.530 5.071 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(C)C)[nH]n4)CCC3)cc2)cc1C#N 1792168761 VRQWJVYZFNNNIJ-UHFFFAOYSA-N 485.588 5.253 30 20 JKED COc1ccc(/C=C(\C)C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)cc1 1792239757 DPGLUHUQQXGZSJ-DYTRJAOYSA-N 495.579 5.183 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1801639937 ZRGHJDADXLRXRM-SNJCGAMXSA-N 453.586 5.366 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803224646 LCESZBUGGATHLY-NPAAKHOSSA-N 498.067 5.163 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sc4ccccc4c2Cl)C3)c1 1803679077 LYYUGPFNLLMRKM-GEALJGNFSA-N 478.017 5.747 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(Cl)cncc4s3)CC2)C1 1805453809 ZMEXMTBIQCQPSG-UHFFFAOYSA-N 472.054 5.563 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C1)c1ccccc1 1805619322 USTYPYKSGDAMER-NDEPHWFRSA-N 471.645 5.162 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)COc3ccc(Cl)c(F)c3)C2)CC1 1805933488 KGZAVOWONLCAJP-UHFFFAOYSA-N 465.009 5.082 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3c[nH]c4cc(Cl)ccc34)[C@@H]2c2cccnc2)c1 1809193991 GAGQNIFYTPORHI-IBVKSMDESA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(C)c3[nH]2)[C@H]1c1cccnc1 1809747118 IDPBQAXYACKEGH-WIOPSUGQSA-N 458.606 5.183 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810070285 KSDUUDYIROTBKD-DVECYGJZSA-N 479.024 5.528 30 20 JKED C[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810277093 MFNHOKLBVIVGHV-KHGZIGHDSA-N 489.736 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1810499691 HGOHAKPLIMWREO-GHTZIAJQSA-N 477.527 5.314 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc4c(ccc5ncccc54)s3)[C@@H]2c2cccnc2)C1 1811279703 GHBOBDIBYIQAMM-BCHFMIIMSA-N 482.609 5.130 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3Oc3ccccc3)[C@H]2c2cccnc2)C1 1811713650 BPVKRJWDQJUWHL-WXVAWEFUSA-N 467.569 5.160 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1811850798 UUZQRMIRCFVVEG-IAPPQJPRSA-N 487.720 5.330 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)c(F)cc3nc2Cl)[C@@H]1c1cccnc1 1812591241 CFBKIWLBDUUGPR-XSSDXNQZSA-N 498.961 5.093 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1813564536 MCZUFDREJHADCU-VGOKHGGXSA-N 479.741 5.109 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c1 1813869097 XHXDDEZSYBXXMT-SAQVGAHLSA-N 490.966 5.135 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCCCCCCCCCC(=O)OC)[C@H]1c1cccnc1 1814223564 UTWNEKOVTBQEKC-KSCKTEMCSA-N 499.696 5.374 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)cc1 1814377433 LDTHQSSHWGSWRF-QFIPXVFZSA-N 479.943 5.013 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)cc1 1814619734 ZNFKRJGBYMVNGB-JOCHJYFZSA-N 479.943 5.013 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)s3)n[nH]2)c(Cl)c1 1816398297 AEXFIIISQCHQAH-MRXNPFEDSA-N 474.373 5.269 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccoc3c2)n[nH]1)c1ccccc1 1817926051 ZXEVMBOGXQWRKO-XUZZJYLKSA-N 481.556 5.054 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1 1818116838 KWVKAGHZLMPOSV-MSYXJTQQSA-N 466.607 5.039 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4cccc(Cl)c34)n[nH]2)c1 1819224760 OBLNXNSCXLNDFX-QFIPXVFZSA-N 486.963 5.344 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)[nH]n1 1819552727 YNTQNBCSPSEAJA-XZOQPEGZSA-N 464.610 5.098 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091476 UGJKMPBOYJWABK-OAQYLSRUSA-N 469.545 5.260 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3n[nH]c4ccc(C#N)cc34)n[nH]2)CC1 1821383922 CODMVCDEMUSLTI-JOCHJYFZSA-N 487.608 5.070 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccccc3Br)CC2)[nH]n1 1821922780 AKLJJKIFNFIGJJ-JXFKEZNVSA-N 485.426 5.108 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1821929700 YKKZHSADGMXVAA-FZKQIMNGSA-N 479.806 5.344 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1)c1ccc(O)cc1 1822466501 GASUUACTIXYUMN-XUZZJYLKSA-N 462.594 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)[nH]n2)c1 1823211669 OZCLYJGBPTUVMN-GKGXRWQJSA-N 453.546 5.056 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)c2s1 1823215477 SUDGKQCRZVHRPU-HJPURHCSSA-N 498.612 5.575 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cccnc4s3)[nH]n2)c1 1823215560 VDCJMLCUWLNNJF-KKSFZXQISA-N 484.585 5.266 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c1 1823216010 MZNHKQYXJPDBAA-BVZFJXPGSA-N 467.573 5.534 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823217387 RHUQMZQMWFRXMX-KSFYIVLOSA-N 477.515 5.243 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c1 1823217564 NDZLCIHLLXPKSF-VFNWGFHPSA-N 479.943 5.449 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ncc[nH]3)cc2)n[nH]1 1823266334 SBWXREIGDJQRFE-NRFANRHFSA-N 460.582 5.098 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc4occ(Cl)c4c2)CC3)cc1 1823495782 UKCUPKXEWBSCBZ-KRWDZBQOSA-N 490.972 5.148 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823676226 SBHLEASNDXELMC-XMMPIXPASA-N 472.029 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C#N)c2)CC1 1824143029 DCBPJAYBLCIXPQ-XMMPIXPASA-N 498.465 5.322 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1824393047 WQZSNOOYBPDJRU-RLWLMLJZSA-N 475.658 5.167 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1824500827 DOCTXEXFUZYDSY-CCDWMCETSA-N 473.057 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c1 1825034860 OUZVXYONGNHTSW-MBSDFSHPSA-N 484.065 5.505 30 20 JKED O=C(c1c[nH]c2cccc(Cl)c12)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826525235 JOJOZTLVOFOTMG-RUZDIDTESA-N 474.004 5.106 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1)c1ccccc1 1827406509 WTNWEMHLBKPKPE-CLJLJLNGSA-N 487.669 5.431 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828293866 YUMQQBVFPAORKA-VXKWHMMOSA-N 462.059 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)c1 1828414220 SQIAVHIOVNVGCB-YKSBVNFPSA-N 453.602 5.219 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1828821970 AUNRYYYCTCXFPG-IRLDBZIGSA-N 475.077 5.293 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)Nc3ccccc3)CC2)c1 1828850645 VOINAEGGWPOUGV-VHFRWLAGSA-N 472.633 5.048 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2CCC)CC1)c1ccccc1 1829033478 VVRYKRVERKHOTP-FTJBHMTQSA-N 489.660 5.366 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622606 OOPVZCMKSGDYIC-NDEPHWFRSA-N 495.667 6.033 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829657443 PEJPWXKKDSUJJS-FQEVSTJZSA-N 487.012 5.094 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C)cc3Cl)CC2)c1 1829684328 PFGVXFZPCUHDRD-VWLOTQADSA-N 480.008 5.076 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cc4cccc(F)c4)cc3)CC2)c1 1829781283 JPFPEDRDDOHZSY-MUUNZHRXSA-N 498.602 5.163 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(Cl)c3)CC2)CCC1 1830515750 RIKRIQCOQWKYEJ-FQEVSTJZSA-N 492.845 5.030 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSc3ccc(F)cc3F)CC2)cc1 1830626884 AFXGAWPHCAANDT-DEOSSOPVSA-N 497.611 5.056 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)c1 1830718201 CIZKXUSOLHTFJD-QHCPKHFHSA-N 493.579 5.598 30 20 JKED Cc1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830720883 KOSKPLBCHADAMZ-OAQYLSRUSA-N 456.011 5.129 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830993726 NKZQOKQNCPEKAU-IRLDBZIGSA-N 462.059 5.009 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831375034 LYPWBDMGSDFJCF-NTKDMRAZSA-N 475.658 5.895 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1832029944 YMQCDIMJHHTHFC-QCENPCRXSA-N 488.672 5.515 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 1832629103 IWUUVZYGZVVDQX-IQGLISFBSA-N 481.999 5.653 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1 1832629892 DRQICGFIGOTAQA-HXOBKFHXSA-N 486.538 5.208 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832632761 VEIQMFLJYPPXNB-JXALWOEJSA-N 495.714 5.789 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(C)C)on3)CC2)cc1C#N 1832701693 OZTZNMBQGFWCCE-DEOSSOPVSA-N 492.620 5.004 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)CCC1 1832787596 BZUPFCAJKNCSOC-QFIPXVFZSA-N 488.459 5.339 30 20 JKED CC1=C(/C=C/[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O 2048531856 JLLGIYCYBIMFNP-MQPKXROFSA-N 466.706 8.128 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 9751725 GCEOAGWOJPPNLW-UHFFFAOYSA-N 480.640 5.245 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2Cl)cc1 11022281 STKMGFBFKBLNCS-MRXNPFEDSA-N 489.988 5.587 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccccc2CC)c1C 11153833 ZSEZMSIETOYCIO-UHFFFAOYSA-O 478.638 5.326 30 20 JKED Cc1ccc(-c2csc3ncnc(N/N=C4/C(=O)Nc5ccc(Br)cc54)c23)cc1 19331273 ILSMSXJJSZWZBU-UHFFFAOYSA-N 464.348 5.198 30 20 JKED Cc1ccccc1-n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1c[nH]c2ccccc12 20864787 VWSXUGIWYVPHBS-UHFFFAOYSA-N 470.583 5.388 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2OC)nc2sc3c(c2c1=O)CCCCC3 21732051 UIUGOCSKJIUTJV-OAHLLOKOSA-N 499.658 5.049 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(Oc2ccccc2)cc1 22730143 WPPKEIZITYNQJT-UHFFFAOYSA-O 489.567 6.658 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1Cl 302998704 YZQHATMUYHGRJB-JOCHJYFZSA-N 456.933 6.007 30 20 JKED Cc1nn(-c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)c(C)c1Br 303325201 VGCHJXGLLROTJG-UHFFFAOYSA-N 455.381 5.510 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](CCc3ccccc3)c3ccccc3)CC2)c1 409525551 NZSACNRPMLXIHJ-HHHXNRCGSA-N 466.585 5.292 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 479861205 INWPGHJKKNCVHQ-XLIONFOSSA-N 486.638 5.020 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)cc1 481681997 DQUQQPYFAYAJKO-UHFFFAOYSA-N 486.547 5.011 30 20 JKED N#Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccc1OCC(F)(F)F 481947774 SLBNNMGYHUYCBC-KRWDZBQOSA-N 486.277 5.049 30 20 JKED CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N 486614875 LXOGPGLIIPKQBE-UHFFFAOYSA-N 474.586 5.459 30 20 JKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487386403 NFEUVUMMQNECGP-BFUOFWGJSA-N 484.503 5.471 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2)cc1Br 491836052 VZDRKYRAWZKSAJ-JOCHJYFZSA-N 450.336 5.435 30 20 JKED N#Cc1cccc(CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 499065199 UECOPXHAPVKSRL-DEDYPNTBSA-N 454.511 5.323 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc(-c2c(F)cccc2F)cs1 499586912 CLTROFVGNXDGFE-LBPRGKRZSA-N 476.386 5.647 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 499780297 KIUDBEZXTIMDMX-UHFFFAOYSA-N 483.959 5.695 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)N1CCCCC1)c1ccccc1 501124270 IDMIGOUAUMWWIB-QHCPKHFHSA-N 466.582 5.028 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1C 501574263 NXBJMPUMKXUSOJ-UHFFFAOYSA-N 487.654 5.711 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)cc1 505642188 BMVMRCPEAPEMKK-UHFFFAOYSA-N 492.457 6.124 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@H]2CCSc3ccc(Br)cc32)cc1 509212559 RBPHGNRWMXRUIR-IBGZPJMESA-N 474.424 5.456 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 510220691 FSAKCBZZLIPPQK-UHFFFAOYSA-N 478.346 5.153 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 510859159 HRHSIYCZSALFBZ-UHFFFAOYSA-N 483.547 6.285 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)cc1 512793331 RDGZACPYUMOTMB-UHFFFAOYSA-N 483.568 5.339 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 512863114 ZNVRYJRNDUHWNZ-UHFFFAOYSA-N 479.511 6.611 30 20 JKED CSc1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1-c1ccc(F)cc1 513307433 UTQKGXKBOWCOAS-AWEZNQCLSA-N 470.501 5.625 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3s2)c1 513666751 OMQQTVQACDZSAT-NRFANRHFSA-N 464.550 5.707 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 513945035 UDXWLRZDXJOQHI-UHFFFAOYSA-N 468.488 5.777 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2COc2ccccc2)CC1 515507900 ZFWQMPJRUQFCLG-UHFFFAOYSA-N 468.513 5.240 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc2ccccc12 515914731 WVGWSBMQFKDKPO-FQEVSTJZSA-N 463.537 5.301 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCC(Oc2cccc(C#N)c2)CC1 517134669 YFNAADPNESDHLU-HHHXNRCGSA-N 455.558 5.180 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCc3c[nH]c4ccccc34)cc2Cl)cc1 517426393 YGUQBEGGWRGOIY-UHFFFAOYSA-N 472.932 5.173 30 20 JKED O=C(Nc1cc(F)ccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 517447495 IWTLIOZSPIIBAJ-UHFFFAOYSA-N 452.717 5.408 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(I)c3)n2)cc1 517800944 RFGSOQNSXIXCAK-AWEZNQCLSA-N 494.741 5.567 30 20 JKED Cc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(Br)cc1 518140275 JKHXYWLNKGYPKI-AWEZNQCLSA-N 455.381 5.447 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 518757180 ZZGNUTRHNXLOMN-KBPBESRZSA-N 450.391 5.074 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc(-c3ccccc3)nc21 519515678 REWRJEUOPQZPGD-GOSISDBHSA-N 455.587 6.326 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Br)cc1 519947876 PNNAKPQHNXPNNF-JOCHJYFZSA-N 454.755 5.292 30 20 JKED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 521692581 VEEFSOBQMOMYTB-UHFFFAOYSA-N 450.489 5.224 30 20 JKED Cc1cccc(COc2ccc([C@@H](C)NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)c1 524116378 LICOEAQSPRGNBM-JOCHJYFZSA-N 496.611 5.567 30 20 JKED Cc1cccc(-n2nnc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c2C)c1 524389721 YFDIZMHGNBCCHJ-UHFFFAOYSA-N 457.921 5.241 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 524572615 IYKPPXGMMHWVHD-OAQYLSRUSA-N 488.396 5.203 30 20 JKED O=S(=O)(NC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc(COCC(F)(F)C(F)F)c1 551410001 QLXKJDHORZNMLY-UHFFFAOYSA-N 485.421 5.090 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 552106145 ZMDQRNNKNCCTKY-HNNXBMFYSA-N 468.340 5.723 30 20 JKED Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nnn1-c1ccc2ncccc2c1 553276042 FOKWLFDSRBKKCQ-UHFFFAOYSA-N 462.538 5.075 30 20 JKED C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4ncccc4C#N)CC3)c2C1 560919918 ORYOTQXCOVKLLJ-AFHODHPKSA-N 489.579 5.180 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 587988706 HSBGXTSTFRXJFL-INIZCTEOSA-N 478.455 6.317 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccco1 594518852 PSVGRNVVISGULG-QBYUYEEZSA-N 453.593 5.199 30 20 JKED C=CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 595983876 CBYKCLGYNLMGGK-HNNXBMFYSA-N 499.427 5.411 30 20 JKED Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)s1 600867089 QRHKZMDWTWSOLL-NSHDSACASA-N 459.622 5.131 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)cn2)cc1 603690522 KWGULQHEKYZTEL-UHFFFAOYSA-N 496.354 5.042 30 20 JKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1NC(=O)c1ccco1 604026663 GELTTXYEPJHAIA-UHFFFAOYSA-N 471.900 6.410 30 20 JKED Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cnc12 604027229 OXFRBIIRRKQEJT-UHFFFAOYSA-N 458.905 5.051 30 20 JKED CC(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)cc1 604162403 MTRUBBWJYQQEHF-UHFFFAOYSA-N 481.596 5.585 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)CC1 604533194 NWVCUNNBGQTZPI-UHFFFAOYSA-N 451.505 5.267 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1 604534769 LGKFEXNRGZBMOU-UHFFFAOYSA-N 463.497 5.320 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 608916075 IRRBIVKQUOXQSW-UHFFFAOYSA-N 467.013 6.059 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3cc(Cl)sc3Cl)s2)c(C(F)(F)F)c1 608928380 NESUXLDEPBBOIK-UHFFFAOYSA-N 498.360 5.793 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 608995576 SLJZFRWXFBMYCY-UHFFFAOYSA-N 482.628 5.708 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 609083469 UGECOYLHHWCNEQ-HNNXBMFYSA-N 473.867 5.275 30 20 JKED CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609377695 CKENIXSDSMEMGU-CQSZACIVSA-N 485.553 5.040 30 20 JKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609379032 OEJDPEYSJNYTPZ-INIZCTEOSA-N 469.563 5.131 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2)c1 609434503 RSBZEQACSNPCSE-GJZGRUSLSA-N 471.401 6.382 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3F)o2)n(-c2cccc(F)c2)c1C 611197970 ZVHZTVHHYSAGSF-UHFFFAOYSA-N 465.485 5.025 30 20 JKED C[C@H](Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C)C(=O)Nc1cccc(C#N)c1 612646227 YWZHMLKNFWXEJT-ZDUSSCGKSA-N 481.002 5.306 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Br)cc1Br 615470382 CFNOKZROZAICJH-UHFFFAOYSA-N 454.162 5.440 30 20 JKED O=C(COc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccccc1F 618297003 AIZLWBAGVYFSPS-OKILXGFUSA-N 492.391 5.046 30 20 JKED O=C(Nc1ccccc1Oc1cccc(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542367 GDPFLBLXNGTSJD-CHWSQXEVSA-N 450.354 6.213 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCCC2)c1 726395500 DQNXVGSMQAONOE-QHCPKHFHSA-N 481.618 5.224 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(OC)c(F)c1 726413110 WCGPYTHIHFYKTO-QGZVFWFLSA-N 483.537 5.129 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)c(C)cc2C)cc1 726572119 SMQVOYCRBBXTTL-UHFFFAOYSA-O 477.053 6.700 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(C)=O)C=C1)=C(/S)Nc1ccc(OC(C)C)cc1 726573423 CLYBLLZLTAZMNY-UHFFFAOYSA-O 476.622 5.417 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)cc1Cl 726891415 NXXOEHSJTXLZMS-OAQYLSRUSA-N 498.992 5.114 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 727026504 ASVSRUQPPXXPJS-UIOOFZCWSA-N 474.992 5.190 30 20 JKED C#CC[C@@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)c1ccccn1 727775336 FBYQIOJWXHHICU-LJQANCHMSA-N 452.850 5.366 30 20 JKED Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728053185 RLECRGXWTPMGGA-UHFFFAOYSA-N 450.882 5.058 30 20 JKED N#C[C@@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1ccccc1 728147954 PSZAFXDMOFMTDQ-VWLOTQADSA-N 469.972 5.301 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2scnc2C)c1 729145297 JXFYTFGVAWHNQN-OAQYLSRUSA-N 494.642 5.183 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc1 729176740 MOVSEVRTKHIOBV-GOTSBHOMSA-N 461.974 5.149 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 729634230 JRKAHGGVRXGLKU-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)CSc2ccc(C#N)cc2)c(C(F)(F)F)c1 729654883 HESAUYCNUTVZIL-UHFFFAOYSA-N 451.470 5.655 30 20 JKED CNC(=O)c1ccc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730436011 JHZUNECMYAKQDU-NTCAYCPXSA-N 453.361 5.145 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730460341 YPBXKIGPIOZCGI-HXUWFJFHSA-N 475.536 5.835 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(C2CCC2)C1=O 730463118 SGHAFNDVMIVQEF-QFIPXVFZSA-N 485.581 5.136 30 20 JKED N#C[C@H](C(=O)CCc1cc(Br)cs1)c1nc2cc(C(F)(F)F)ccc2s1 730689581 HCPPMBMXBQLVPW-GFCCVEGCSA-N 459.312 5.948 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3ccc(OC)cc3)cs1)O[C@@H](C)C2 730691310 IWDXIDYLRZAWSQ-KXYFNNKZSA-N 474.582 5.521 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c1C 730714014 VUKFFCNICCNIQY-FQEVSTJZSA-N 468.966 5.105 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 731059672 IWWFPHZJVYQDMY-ONQFPYBPSA-N 491.451 5.154 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1Cl 731305103 GYHAJRRZSBURFD-BFUOFWGJSA-N 496.416 5.084 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731305491 DJASMCZNTYMJEY-VFNWGFHPSA-N 483.590 5.184 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccco2)c1 731312906 QTSOGWJMFIOSTE-JOCHJYFZSA-N 463.559 5.269 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc3cccnc23)C1=O 744996868 HWFOVOHKOXNOGE-XMMPIXPASA-N 496.592 5.404 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 746696332 MKVQDQDROORZEM-FQEVSTJZSA-N 495.979 5.395 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1-c1ccccc1 750911283 PEAFXKUAULPUPT-HOYKHHGWSA-N 470.598 5.110 30 20 JKED C=CCn1c(SCC(=O)N(C)c2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1Cl 818133646 NPMKJUFAAFBFJG-UHFFFAOYSA-N 490.441 5.803 30 20 JKED C[C@@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 826075084 ORRGKFCPFFKKDU-OPAMFIHVSA-N 462.596 5.512 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1OC 838486999 OJCFCSLINOCKCZ-GOSISDBHSA-N 496.803 5.249 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(-c2nc(C3CC3)no2)ccc1Cl 904365277 WZXCSCWEHPJGQP-UHFFFAOYSA-N 450.347 5.302 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 914512500 KJGOTCKXNYWZSV-UHFFFAOYSA-N 485.968 5.204 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)Cc3cccs3)C2=O)cc1 914694385 IWSAVWDRGNPOPU-SBUREZEXSA-N 491.638 5.542 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)c1ccc2c(c1)Nc1ccccc1S2 914699071 BIWVPQQJESQBCB-UHFFFAOYSA-N 488.598 5.322 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 915102174 SXIONKHEDOSYPF-GOSISDBHSA-N 471.003 6.022 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 915103879 HKIGKJBNYZSCAS-WMLDXEAASA-N 475.467 5.183 30 20 JKED COc1cc(/C=C2/CSC/C(=C/c3ccc(OC(F)F)c(OC)c3)C2=O)ccc1OC(F)F 916133358 IUMCZHVRUPIEMF-DUGOVBPYSA-N 484.467 5.690 30 20 JKED CCCc1cc[n+](/C(C(=S)N=C2C=CC(=C(O)OCC)C=C2)=C(/O)c2ccc(C)cc2)cc1 916202920 GNPOZORPJVWNOS-UHFFFAOYSA-O 461.607 5.819 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)c(Cl)c1 916204375 DHAJRLUSQNVBKJ-IBGZPJMESA-N 498.407 5.438 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(C[C@@H]2CCCO2)C1=O 916217654 UACBVUXODPBTQR-REWPJTCUSA-N 495.645 5.232 30 20 JKED COc1ccccc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nccn1C 916227526 BPVUUQCNOVZQKF-RCZVLFRGSA-N 485.975 5.649 30 20 JKED CCOc1c(Cl)cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OC 916309338 FKBXEDJECYZQAY-UHFFFAOYSA-N 453.951 5.376 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1NC(=O)c1ccccc1 916888466 VXBNIACPJJCMGX-FQEVSTJZSA-N 479.508 5.523 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)c1 916897251 LJUMLVHYOBWILQ-QHCPKHFHSA-N 457.480 5.702 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 916919173 SWYJRTPQDAQEOQ-QFIPXVFZSA-N 455.539 5.252 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916919724 ZMEBTJZJWHUTPN-IBGZPJMESA-N 479.483 6.252 30 20 JKED N#C[C@H](C(=O)CCn1c2ccccc2c2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 916931250 JRFFNXSIHNUDRF-GOSISDBHSA-N 450.325 5.839 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(OC)c(Cl)c3)s2)cc1 916938665 CDIFHSAYQHLGFD-QGZVFWFLSA-N 469.950 5.140 30 20 JKED COc1cccc(-n2c(C)nnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916976139 LJGINQLAYUAPAR-IBGZPJMESA-N 496.017 5.330 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 917669445 QCOTVSVFEXVXCG-QFIPXVFZSA-N 494.020 5.216 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)n3)C2=O)cc1Cl 917675489 LEJSKWYNZLNANI-QFIPXVFZSA-N 495.004 5.213 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917702688 IFSVKRLTCGENCA-ZHRRBRCNSA-N 492.601 5.350 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccsc1 917702945 KDFTXGVUKRXSIF-FQEVSTJZSA-N 482.537 5.058 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 917751978 PXKOGSYLSNLPEE-INIZCTEOSA-N 474.417 5.075 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1 919825695 PGBUNAYWSDHVSC-UHFFFAOYSA-N 462.596 6.237 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 920140663 IYOVOOMONQFRRC-QRWLVFNGSA-N 464.959 5.015 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ccc(Br)cc3C)n2)cc1 920142833 MNYYZSOOMPNJGO-QGZVFWFLSA-N 473.417 5.858 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nccn3-c3cccc(C)c3C)n2)cc1 920143957 VKJANHGNPJPVNN-HXUWFJFHSA-N 474.611 5.590 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@@H](C)c2ccc(C)s2)C1=O 920170683 NILVJQZFGJBHJQ-MEDUHNTESA-N 456.420 5.192 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)o1 920774166 VRMIFZCXLJCJKJ-HXUWFJFHSA-N 465.347 5.340 30 20 JKED CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCC1(F)F 1541513483 UTKQMFFKBVYKHI-SFHVURJKSA-N 483.567 5.186 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2CSc2ccccc2)C1 1781100557 LFPZYZJDRMBDTD-GZWANVBQSA-N 492.685 5.319 30 20 JKED CC(C)(C)c1cnc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)cn1 1785796287 XQHCCZLUOPYMQM-UHFFFAOYSA-N 481.600 5.026 30 20 JKED Cc1nc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c(C)s1 1786946172 JNJIQUYJXNKQCW-UHFFFAOYSA-N 479.005 5.275 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C)cc2)CCC1 1787346188 ONVXGQPPZQLTOW-QHCPKHFHSA-N 495.620 5.504 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(-c5ccccc5)ccn4n3)CCC2)cc1 1787885866 RCOYFIBKPMCBMK-UHFFFAOYSA-N 463.541 5.053 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@H]3CCc4ccoc4C3)CCC2)cc1 1788649276 HOZJZFSZGKIHHE-VYENPZKTSA-N 474.582 5.019 30 20 JKED Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1 1788806411 PQEHPSPMVUJBQM-UHFFFAOYSA-N 477.362 5.019 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccccn45)cc3)CCC2)c1 1788995432 BPAYNRSEUWXHOL-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)cc2)CCC1)C(F)(F)F 1789119347 QAXDAZPRWQCSFA-NYYWCZLTSA-N 483.490 5.442 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CCC1 1789291814 UDHHEBNHOHXLMD-UHFFFAOYSA-N 480.561 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)cc3-n3nccn3)CCC2)cc1 1789456610 XQYNPFHUCBAVRT-QHCPKHFHSA-N 469.589 5.092 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCC2)cc1 1789458350 XNYQBSYWYVDECD-JLLPCOHGSA-N 493.648 5.002 30 20 JKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1cccc(NC(=O)OC(C)(C)C)c1 1789498162 QVVCCYIIAZGVSL-IBGZPJMESA-N 490.604 5.575 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCC2)cc1 1790566505 VMWWTXSFZAXWDE-INIZCTEOSA-N 461.484 5.254 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4SC=C[C@H]43)cc2)CCC1)c1ccccc1 1791089344 PJJFBXRIESFRAN-JBXUNAHCSA-N 456.611 5.193 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1791194311 MKIQKLDPYUATFA-INIZCTEOSA-N 478.486 5.112 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1 1791254267 NVFBPJKCJLODHY-IBGZPJMESA-N 471.557 5.492 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)CCC=C(C)C)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681574 YBTRGWYEPDARTB-QHCPKHFHSA-N 481.637 5.433 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)CCc4ccccc4F)cc3)CCC2)c(C#N)c1 1791982741 HCBXKWOLVUGNDP-UHFFFAOYSA-N 485.559 5.015 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1 1792242573 ZDZLATYJKPBLAP-ZHALLVOQSA-N 467.532 5.290 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccoc2c1-c1ccccc1 1799112155 GLZASZJCIBFTCV-NUNAXRQHSA-N 497.982 5.385 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 1802068375 DYNJNFGTPKUEGG-YHINDDMVSA-N 473.455 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cc(OC)cc2C)[C@@H]1c1cccnc1 1802501144 TVOYONAXTDLYED-RCZVLFRGSA-N 463.622 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1803217865 HLBUIIMOFHULHD-ZNZIZOMTSA-N 461.650 5.520 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(C)cs2)[C@H]1c1cccnc1 1804528379 GXPFXCALWXJWMY-XUZZJYLKSA-N 453.652 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1805066481 NXISMBODJZGHEN-GJZUVCINSA-N 488.607 5.528 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4cccc(OC)c4)c3)C2)CC1 1807449162 LZOHCRSNSPFKAV-RUZDIDTESA-N 475.633 5.304 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc3occc3c2)[C@H]1c1cccnc1)c1ccccc1 1809345942 JWSSGUQDOZDFPK-HPUNYJORSA-N 491.591 5.345 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1811254796 OCFGSGZPLFJBKI-OFVILXPXSA-N 482.024 5.222 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811272054 IJDYQYKJSYQBRM-ZCYQVOJMSA-N 492.570 5.020 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(Br)c2)[C@H]1c1cccnc1 1812590510 QCIAMMDZJFEGRI-KLHJMIIUSA-N 490.829 5.029 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1)C(F)(F)F 1812682158 CTWDALRUPDBWLZ-KXBFYZLASA-N 486.321 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1812961479 MEBQNGCAQDHPSQ-DMTNHVFBSA-N 479.640 5.659 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814148361 IZLJDIKMNOUDGH-OFSOJUDTSA-N 473.661 5.474 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)[nH]n1 1814829947 JXXPAXYVHULDQP-NRFANRHFSA-N 456.974 5.146 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)[nH]n1 1814829988 LRVPDONWTSZPGC-NRFANRHFSA-N 456.974 5.146 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1815206431 CGJKOKBUXJMVET-VWLOTQADSA-N 490.579 5.505 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1815206533 JEWZPAFPFZVMDD-HXUWFJFHSA-N 470.957 5.098 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)cc1Cl 1815247104 WKULNJOFPCBKPY-RXVVDRJESA-N 479.046 5.111 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ncccc4c3)n[nH]2)c1 1815478012 SHDJBCBPTVCPQN-NIYFSFCBSA-N 492.583 5.134 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)c(F)c2)[nH]n1 1819300421 BDOAGZHFMNSVAM-LAUBAEHRSA-N 458.965 5.205 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)[nH]n1 1819309293 RFXQDPFFWQNSBR-BEFAXECRSA-N 490.526 5.300 30 20 JKED Cc1ccc(NCCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)c(C)c1 1819461821 LBJNVNULPNWDSU-AREMUKBSSA-N 498.631 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2Cl)N(C)C)[nH]n1 1819555947 LWGXZPJPLXCBKW-GMAHTHKFSA-N 486.060 5.351 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1 1820548156 AMYDBWIIHBOTRE-OAQYLSRUSA-N 459.550 5.100 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)Oc3ccc4ccccc4c3)n[nH]2)C1 1820711970 JBYCNPACYNLBAT-DEOSSOPVSA-N 472.589 5.379 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)n[nH]1 1821007852 ZGTFKCAXQVMGBW-WIOPSUGQSA-N 477.515 5.217 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)[nH]n2)cc1 1821182259 YBOJCWGCABDVMX-JOCHJYFZSA-N 495.505 5.043 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1)C(F)(F)F 1821290115 OAMNPFQIIPHQLD-AWEZNQCLSA-N 479.261 5.280 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cc(Br)ccc3c2)n[nH]1 1821479301 CPCDWPNKUJNTCS-YCRPNKLZSA-N 496.409 5.239 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821522977 OEONELMXZWXJMR-JTSKRJEESA-N 487.560 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(F)cc3)n[nH]2)c1 1822222558 IYJYCERWUQOOMT-KOSHJBKYSA-N 473.552 5.115 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)[nH]n1 1822391281 DULZHJIOFLPCGL-GOSISDBHSA-N 499.434 5.496 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[nH]n1 1822399820 AIOWTMMVJNLVCK-QFIPXVFZSA-N 477.996 5.372 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1822581842 AJANWLAPCDNXCV-GOSISDBHSA-N 465.356 5.355 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#Cc3ccc(Cl)cc3)[nH]n2)c1 1823210758 HXLOMAQYTYLYGT-HOYKHHGWSA-N 485.975 5.048 30 20 JKED CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1823684367 WFNNUCJOQJNOKQ-WUFINQPMSA-N 471.645 5.304 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)CC1 1823754707 AFKNJLULAGLMNM-JOCHJYFZSA-N 491.717 5.149 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc3ncccc23)CC1 1824474542 VSHNBKHJOXGVGO-IGKIAQTJSA-N 459.634 5.165 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1824510162 LBYPYIWXXNYFRU-VGOFRKELSA-N 467.437 5.126 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1824539978 YHKXWQYSZWMASC-ICSRJNTNSA-N 457.467 5.181 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1825096155 YNIMJCSEMUNHQU-HHHXNRCGSA-N 461.650 5.407 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1827846634 FUFZIBSAANBBNF-NTKDMRAZSA-N 476.621 5.110 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828028052 XZUOXQYSDODMRE-MHZLTWQESA-N 489.736 5.519 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1)c1cccs1 1828256422 BIROGQGAJMAEFZ-FGBWHXJSSA-N 476.598 5.167 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828656952 QITCNDRBNRVKDB-DEOSSOPVSA-N 481.434 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1829066486 GIFMPUXTFULTIN-XMMPIXPASA-N 471.592 5.672 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622666 RCZFTBVULSTLCM-VWLOTQADSA-N 468.601 5.143 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)cc2Cl)CC1 1829657641 YMPWFQXWAWCKJQ-HXUWFJFHSA-N 472.935 5.091 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)CC2)cc1 1829779545 GEHNSYRIIHFOHH-NDEPHWFRSA-N 480.612 5.409 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829867926 LLJYZKZDAFDAEM-HSZRJFAPSA-N 499.797 5.478 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c1 1830570169 XSOGZLLKKNZAQY-DEOSSOPVSA-N 481.999 5.217 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830781106 LWRLYQUTHXXGJM-VGSWGCGISA-N 467.437 5.126 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1830794991 KSYKXEMHGDJSLA-XMMPIXPASA-N 490.566 5.055 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1831370397 KIGHOMMGGYKGGM-LVXARBLLSA-N 475.633 5.203 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1)C(F)(F)F 1831450537 DLNXDCXCIUKOTJ-GOSISDBHSA-N 494.888 5.293 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(Cl)(Cl)Cl)CC1 1831493496 ISNOYGQHHKDKAK-SFHVURJKSA-N 479.952 5.027 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1831852062 NMGWQHHADQFLLZ-QHCPKHFHSA-N 493.475 5.817 30 20 JKED CCSc1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832628648 ZWHYXPIOOYXODX-CJFMBICVSA-N 490.673 5.368 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1cc3c(ccc4ncccc43)s1)C2 1844253108 UULBLSKSKAHXSS-UHFFFAOYSA-N 489.717 5.318 30 20 JKED Cn1nc(C(F)(F)F)c(/C=N/c2ccccc2C(=O)O)c1SCc1ccc(C(C)(C)C)cc1 1857777166 QEFIAKHQQGSFTJ-XODNFHPESA-N 475.536 6.478 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 8649220 SQQRTBPUTANFPY-QGZVFWFLSA-N 493.658 5.516 30 20 JKED Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 9944359 GUJMFYDFGKQURL-HNNXBMFYSA-N 471.677 5.359 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1C 10167819 FUUUKXHFUSAOCP-UHFFFAOYSA-O 479.669 6.849 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)C(=O)N(CCC#N)c1ccccc1 10441393 QOWGIZZYGCUZME-QGZVFWFLSA-N 490.535 5.091 30 20 JKED O=C(C[C@@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1ccccc1C(F)(F)F 15231815 CEWSWVVDRWUTCR-NRFANRHFSA-N 499.514 5.532 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nc2scc(-c3ccccc3)c2c1=O 16715366 PJHHSPNFYHZDMD-AWEZNQCLSA-N 483.565 5.709 30 20 JKED CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 18589952 HFGRJJWVYCFFAG-AWEZNQCLSA-N 468.604 5.457 30 20 JKED O=[N+]([O-])c1ccc2c(c1)/C(=N\Nc1ncnc3cc(-c4ccc(Br)cc4)sc13)C(O)=N2 19342629 POVOHJRXIOSWMQ-UHFFFAOYSA-N 495.318 5.447 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCCCC3 20052380 ABNOAEZNDJXRFE-HNNXBMFYSA-N 464.616 5.816 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccccc1 20892285 XFBVZZZITQICIT-UHFFFAOYSA-N 471.561 5.171 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1ccncc1 22354036 SUWGJVBUUZEPIX-UHFFFAOYSA-N 489.004 5.330 30 20 JKED Cc1nc(SCc2nc3ccccc3c(=O)n2CC#N)c2cc(-c3ccccc3)sc2n1 22675616 KQDYSRMRUWZSNF-UHFFFAOYSA-N 455.568 5.193 30 20 JKED C[C@@H]1CCC[C@H](n2c(SCC(=O)Nc3sccc3C#N)nc3ccccc3c2=O)[C@@H]1C 22718837 IJKOKEMPPXDWRT-CLCXKQKWSA-N 452.605 5.058 30 20 JKED O=C(/C(=C(/S)NCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1F 22730740 RUOFKSMGAUNPRM-UHFFFAOYSA-O 473.568 5.572 30 20 JKED CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccccc4SCC#N)n3C)cc2C1 23552770 NFARKORZZIEIPZ-OAHLLOKOSA-N 483.688 5.405 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1[C@@H]1COc2ccccc2O1 23592245 DHBYUSNUIXHBHD-IXFSTUDKSA-N 478.618 5.609 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 24284093 YMTCNHFYULQBCZ-LLVKDONJSA-N 493.492 5.432 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 29202020 UCSBIBGTFDZMOE-QHCPKHFHSA-N 476.964 5.147 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nnc1-c1ccccc1OC 29831813 OLMYBFGTWOFRSE-UHFFFAOYSA-N 495.605 5.712 30 20 JKED N/C(=N/OCc1coc(-c2ccc(Br)cc2)n1)c1cccnc1Oc1ccccc1 72057476 GGZSPRQWJGDSKI-UHFFFAOYSA-N 465.307 5.129 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3cnco3)c2)c1 108107785 SCMTWFLDMRFINC-UHFFFAOYSA-N 493.972 5.629 30 20 JKED Cc1cc(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)n(CCC#N)n1 109346781 PEALULHQQTWFNI-UHFFFAOYSA-N 492.655 5.626 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Br)cc2)c1 255935546 LPRUBRLPBDBRPS-UHFFFAOYSA-N 466.360 5.304 30 20 JKED Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4cccc(COc5ccc(CC#N)cc5)c4)c3)cc21 475227005 BDVNJAXZWHSGDH-UHFFFAOYSA-N 489.535 5.238 30 20 JKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 480951469 ZXQBOGXAEUMAHB-UHFFFAOYSA-N 467.500 5.027 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(CN4CCN(c5ccccn5)CC4)cc3)c2)cc1 483434277 DSLGHEYWPKXSIF-UHFFFAOYSA-N 489.579 5.320 30 20 JKED COc1ccc2c(C)cc3nnc(SCC(=O)Nc4c(C#N)c(C)c(C)n4C4CCCC4)n3c2c1 498032994 ZBRZFWFJWLVHCT-UHFFFAOYSA-N 488.617 5.335 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 499774044 JHGMGBNZWAGWLA-UHFFFAOYSA-N 450.545 5.408 30 20 JKED COc1ccc(Oc2cc(CNC(=O)c3ccc(OCc4ccccc4C#N)cc3)ccn2)cc1 501919650 RVXCKAYEOLPUFP-UHFFFAOYSA-N 465.509 5.263 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1nc(C(=O)OCC)cs1 501963927 SREAFHONCZIRSV-UHFFFAOYSA-N 468.387 5.583 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 503334958 HDJCMENVEHFMHZ-UHFFFAOYSA-N 485.293 5.430 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 507908448 MCXVTSYIUTTZCX-UHFFFAOYSA-N 475.548 5.995 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(OC)c(OC(F)F)c2)cc1 508277442 GXYWNURXPLWKLP-UHFFFAOYSA-N 483.471 5.633 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 509616509 IROZVSSILKSKCM-UHFFFAOYSA-N 477.524 5.651 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1 511337736 MMLBNZJDMYBUPU-UHFFFAOYSA-N 479.502 6.547 30 20 JKED COc1cc(CN(C)C(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OCc1ccccc1 511422750 TUJWMKMDHKSPIP-UHFFFAOYSA-N 482.536 5.590 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCSc2ccc(Br)cc2)cc1 512564125 IAEOKTWYGFTUQV-UHFFFAOYSA-N 481.415 6.215 30 20 JKED C=CCn1c(SCC(=O)N2CCc3ccc(OC)cc3C2)nnc1-c1ccc(Cl)cc1Cl 512815528 CRHDUPVLVPZTAB-UHFFFAOYSA-N 489.428 5.124 30 20 JKED COc1ccc(CSc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)cc1 514954715 HGPWOIKREWYSHV-GFCCVEGCSA-N 488.685 5.380 30 20 JKED Cc1ccccc1OCCCN(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516061034 QEWUMAFJNPQUBJ-HSZRJFAPSA-N 475.976 5.170 30 20 JKED C=CCN(C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc2c(s1)CCCC2 516464390 CXYFHANEOBQGQC-UHFFFAOYSA-N 473.392 5.789 30 20 JKED Cc1c([C@H](C)NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2ccccc12 518545544 QSKOLJLGLWNDGV-IBGZPJMESA-N 467.525 5.202 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cs2)cc1 519057159 GKMBFWNXARHLKW-UHFFFAOYSA-N 455.539 5.876 30 20 JKED CN(C(=O)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1)c1ccccc1 520370712 OXYJFGSQTWILSB-UHFFFAOYSA-N 477.589 6.379 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc(-c2c(F)cccc2F)cs1 520431928 CBVHDOCKEMLPJY-SFHVURJKSA-N 459.477 5.831 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 521333523 KPBKWOSUBFXCFI-UGKGYDQZSA-N 482.609 5.449 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 521733542 IKZKWFMLMMSNAO-IEBWSBKVSA-N 471.648 5.062 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2cccc(Cl)c2)cc1 523633458 RCMZBQJIDCIYFC-MRXNPFEDSA-N 463.921 5.171 30 20 JKED N#Cc1c(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)sc2c1CCCCCC2 524142815 IVZLBOWETMCVHH-UHFFFAOYSA-N 470.019 6.498 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 524158246 MDJXVDZVSCCNNQ-NRFANRHFSA-N 497.530 6.260 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 561134067 DHIOLGCWFHVDRZ-IBGZPJMESA-N 497.649 6.331 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H]1c1ccc(OC)cc1 603623325 HPBGFYPQXGBGFK-LEAFIULHSA-N 498.583 5.473 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)c2ccccc2I)c1)c1ccccc1 603753817 DKGZFEMLIVNJKL-UHFFFAOYSA-N 482.321 5.376 30 20 JKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603962128 FEXYXMHXLUWTHJ-IIBYNOLFSA-N 464.974 5.901 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)cn2)c1 604221546 DIORQMQXNGYDFO-VWLOTQADSA-N 482.927 5.243 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)c3ccccc3)s2)cc1 608934278 WBNHFBPMWVTROY-JRFVFWCSSA-N 470.598 5.018 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F 609061686 UZEFFMUPLRDRHF-UHFFFAOYSA-N 490.485 6.211 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 609078108 BYGGTATWPZCLTB-UHFFFAOYSA-N 462.553 6.248 30 20 JKED CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609080000 QMNUCESUHATSFX-SFHVURJKSA-N 483.012 5.195 30 20 JKED N#CCn1c(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc2ccccc21 609170614 SRFWXAPWZTWBCZ-HXUWFJFHSA-N 455.345 5.105 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@@H](C)c1ccc(OC(F)(F)F)cc1 609371777 XCPYPHCBKHIQAV-GJZGRUSLSA-N 454.539 6.270 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 609404292 RTPTZIFYHWTTNY-LJQANCHMSA-N 461.509 5.403 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609433789 JDJMODBWGOTYSQ-SANMLTNESA-N 457.530 5.572 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc2)c1 609434183 BMDLXTWQLWBJER-IBGZPJMESA-N 454.555 6.372 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1OCc1ccccc1 613407262 NHKXUVBBVCIBCN-SFHVURJKSA-N 478.957 6.036 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 614391915 XEIXIZARJFWTKY-UHFFFAOYSA-N 477.409 5.123 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2Cc2ccco2)cc1 619624930 MOHDFWSADZNBNT-IBGZPJMESA-N 487.585 5.022 30 20 JKED O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622150817 AQDUKKQPDBAYPG-SLEUVZQESA-N 460.365 5.438 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 622468519 HXRMOKCLFOZZPI-MRXNPFEDSA-N 469.328 5.539 30 20 JKED O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 624635897 SGEMANXCJDGZOQ-TXEJJXNPSA-N 476.364 6.032 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OC)C(C)C)nc2sc(C)c(C)c2c1=O 639388062 UCKPYXQJEQRRSR-LJQANCHMSA-N 457.621 5.025 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S/C1=N\CCc1ccccn1 726111737 UHVHFLPDLYCUJW-LECRTAGSSA-N 497.835 5.099 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1F 726409836 CXPKDKGHEYZYHU-OYHNWAKOSA-N 496.539 5.090 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccc2C)cn1 726893210 XPACZSPZLZCRGM-HSZRJFAPSA-N 488.613 5.176 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC(C)(C)CC2)ccc1Cl 726958431 USUUREQUHOBFPP-UHFFFAOYSA-N 481.445 5.637 30 20 JKED CNC(=O)c1ccc(/C=C2/CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cc1 728438442 FLISQFFZDVTYQQ-VBKFSLOCSA-N 453.361 5.145 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCCCC#N)C1=O 728778586 SUGLAUXWQXQGFV-HXUWFJFHSA-N 472.973 5.442 30 20 JKED N#Cc1ccccc1N1CCN(Cn2nc(-c3ccc(Cl)c(Cl)c3)c3ccccc3c2=O)CC1 729465858 PDUZBIJGHJGIRS-UHFFFAOYSA-N 490.394 5.022 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(C2CCC2)C1=O 730458617 BBKFMLVSHOVOKX-HXUWFJFHSA-N 457.983 5.170 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2F)c(C)s1 730708776 IQMKXWMUHGDBSN-LIRRHRJNSA-N 483.594 5.016 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](c2ccccc2)C2CCC2)C1=O)Nc1cnccn1 730716909 BQQRKXFFESOQET-URXFXBBRSA-N 489.576 5.117 30 20 JKED COc1cccc(NC(=O)/C(=C/c2ccc(OCc3occc3C(=O)O)cc2)C(=O)c2ccccc2)c1 730951800 RIEDWUOEKVAGDV-PCLIKHOPSA-N 497.503 5.470 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731304769 ASHIEOYSTBCFOU-QVKFZJNVSA-N 483.977 5.230 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 731316280 VDCSIZPFKFOMIM-RUZDIDTESA-N 494.576 5.015 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] 743470902 ZCZAYNGMOFWOJM-AWEZNQCLSA-N 499.321 5.061 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)c1 743524423 JYQKEGUUJVIHCR-BEFAXECRSA-N 497.514 5.062 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC2)C1=O)Nc1ccc(F)cc1F 745989269 OQQAGNIMYYDKFI-QGZVFWFLSA-N 470.328 5.394 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 745990749 IJRIVZIVEICTIY-GOSISDBHSA-N 484.380 5.129 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 746694290 VEYBETNDIGLMSD-RUZDIDTESA-N 493.592 5.509 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)NCc1ccccc1 746697823 MTCZLDCRIARAAD-XMMPIXPASA-N 468.582 5.006 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2nccs2)c1 747601858 HTEPXZBKSJBJPZ-NRFANRHFSA-N 478.643 5.470 30 20 JKED CS(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1Br 749344088 QRNVJCWHOLRCMC-CQSZACIVSA-N 495.807 5.120 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(SC(F)F)cc1 799211028 ZHVQSNLQWAESPQ-INIZCTEOSA-N 453.511 5.121 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(F)(F)F)cc1 799221437 WWLUOTABROGWGE-FQEVSTJZSA-N 487.503 5.371 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837638949 CCWRAFPSXTVWTK-WZONZLPQSA-N 476.577 5.559 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 838089428 BDRWFCCNZNURCC-NTKDMRAZSA-N 488.613 5.510 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 838280659 PCZMWEXNBSBWKN-UZUQRXQVSA-N 476.577 5.505 30 20 JKED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)C1=O 879508760 UDHJVFGNKDTOGT-MHZLTWQESA-N 489.576 5.028 30 20 JKED CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN(C)Cc2ccc(C#N)cc2)c1=S 914783179 KJBPQKJQHUMKBR-UHFFFAOYSA-N 454.603 5.550 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N2CCCC2)c1 915353437 UDADWOLJLWRWTQ-SXOMAYOGSA-N 454.574 5.309 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)c12 915578004 KYBYOLFFRWVGDD-SFHVURJKSA-N 474.561 5.162 30 20 JKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=S)Nc1ccccc1C#N 915997632 RBNIDLAYXNGIAQ-UHFFFAOYSA-N 472.017 5.952 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1OC 916057434 CVIJKZDDEBFPGL-LCYFTJDESA-N 476.504 5.312 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(CC)cc3)N(Cc3ccccn3)C2=O)cc1 916213264 CKGPXZONCPOWNG-XMMPIXPASA-N 488.613 5.203 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2C2CCCC2)cc1 916213713 FVBYRLDMZKNPLB-HSZRJFAPSA-N 497.617 5.005 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2C2CCCC2)cc1 916214102 KMGSUKNUSMVWCZ-JOCHJYFZSA-N 451.592 5.161 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCn1c2ccccc2c2ccccc21 916900526 PXGTWDDWFCWMJX-IBGZPJMESA-N 459.933 5.503 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916903802 VZULRBSQQLXYKN-IBGZPJMESA-N 476.920 5.262 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1[C@H](C)c1ccccc1 916931859 OLAISQKFIZTDHY-QRWLVFNGSA-N 454.357 5.982 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977156 LKPAYNLRFXQWJR-SFHVURJKSA-N 455.992 5.320 30 20 JKED CC(C)[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 916996038 JHISYWJGCLDECU-YLJYHZDGSA-N 498.391 5.614 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc2nc(C(F)(F)F)ccc12 917424961 SZNSKCISLAGGBL-ZDUSSCGKSA-N 485.459 5.899 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)c(C)c(C)c1C 917612149 KHUUALGTLYLQCT-UHFFFAOYSA-O 468.646 6.282 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H]1CCN2CCC[C@@H]2C1 917658511 IYBVZYOLEJLPQE-XPWALMASSA-N 494.636 5.030 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C)c1OC 917664439 HYDZVUIVYLEIDN-QHCPKHFHSA-N 489.597 5.173 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 919932515 AASKLSSTJQCCRS-UHFFFAOYSA-N 475.364 5.560 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc2c(c1)CCC2 920175489 IQQWLYJHXRFXFD-HXUWFJFHSA-N 475.536 5.564 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920323621 DGGDHNGRVGJXCD-OAQYLSRUSA-N 484.943 5.471 30 20 JKED COc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1 920365605 DWXNRHIDYZDBEX-UHFFFAOYSA-N 474.464 5.315 30 20 JKED O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(SC(F)(F)F)cc1 920836162 VMEQPZVVHGPLFY-MYJAWHEDSA-N 475.398 5.486 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc2ccccc2c1 920871458 SXDKTJKCKJJYLS-UUOWRZLLSA-N 491.613 5.091 30 20 JKED Cc1occc1-c1nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c(=S)n1Cc1ccccc1 921189034 ZNFOQJSSUCBLQN-UHFFFAOYSA-N 497.546 5.924 30 20 JKED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 1781022841 BRROMPIALFQJGP-WIISGGPLSA-N 498.708 5.000 30 20 JKED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)CCCCCCCCCc4ccccc4)C3)C2)C1 1785504766 YEBXQPJSDJBGSB-GDLZYMKVSA-N 466.666 5.146 30 20 JKED Cc1nc2cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(C#N)cc5)cc4)CCC3)ccc2s1 1785881768 MALSPPJBRDGJQL-UHFFFAOYSA-N 480.593 5.467 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)c(Cl)c4)CCC3)cc2)cc1 1785882991 QSLNZYYYYYPNAP-UHFFFAOYSA-N 479.367 5.250 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(-c5nccs5)noc4c3)CCC2)cc1 1785934754 AHAHODBIPJKDIL-UHFFFAOYSA-N 485.569 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc2)CCC1 1786156661 FCCOVCCPVMKNRE-QFIPXVFZSA-N 483.653 5.582 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C(F)(F)F)c3)CCC2)cc1 1786370101 OZPFMUVOQBPVEF-UHFFFAOYSA-N 489.538 5.150 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)CCC2)CCC1 1787770261 OJGLOACSNOMTPH-UHFFFAOYSA-N 455.480 5.076 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(Br)cc3Cl)CCC2)cc1 1787889261 QHLPMTDTNLKMGM-UHFFFAOYSA-N 478.749 5.293 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CCC2)cc1 1787889958 YQRZYURGVUZLDC-UHFFFAOYSA-N 463.887 5.339 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)CCC1 1788888076 DJOUBRQVJZVGLT-UHFFFAOYSA-N 460.537 5.563 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789073650 DQYJWLJHTPPBJQ-KVUWKNAUSA-N 494.979 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cn4ccsc4n3)cc2)CCC1 1789333605 OANFQIVCNVFSCU-UHFFFAOYSA-N 478.694 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(N4CCOCC4)c3)CCC2)cc1 1789457887 DPPWYVFBYGHYLN-AREMUKBSSA-N 473.617 5.039 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1 1789509834 MAQVXULXTWBCBC-SANMLTNESA-N 472.652 5.917 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)CCC1 1789782426 WUOANZPRLGEWRD-UHFFFAOYSA-N 459.546 5.072 30 20 JKED COc1nc(C)ccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1789874813 LAGYKNAUCPKDGH-GOSISDBHSA-N 468.557 5.087 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CCC1 1790267329 NKNAAUXSAIODCV-OAHLLOKOSA-N 462.377 5.542 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccs5)on4)CCC3)cc2)cc1 1790706559 KQFWTMYAGSKPEF-UHFFFAOYSA-N 482.565 5.531 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cnc5cc(Cl)ccn45)CCC3)cc2)c1 1790762740 VHFSVIMCKJZHHO-UHFFFAOYSA-N 487.922 5.060 30 20 JKED Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)n1 1790764263 RUHQODHJSOCTDZ-UHFFFAOYSA-N 472.976 5.296 30 20 JKED CCc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785140 OZQPFCZVTDAVLS-UHFFFAOYSA-N 496.489 5.497 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccccn4)CCC3)cc2)cc(C(F)(F)F)c1 1790785448 NZYJXJQYGTUOGE-UHFFFAOYSA-N 492.501 5.353 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)oc2ccccc12 1790835173 RGDRVEKVQZNDIC-UHFFFAOYSA-N 489.535 5.551 30 20 JKED Cc1nc2ccc(F)cn2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1790881621 KLXLOPKYTXAGCN-SFHVURJKSA-N 495.558 5.470 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4onc5ccccc45)cc3)CCC2)c(Cl)c1 1790907493 UOEJVNDIWVSAAZ-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C[C@H](Nc1nccs1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124000 XLFFAAGRTISFHT-ROUUACIJSA-N 473.602 5.018 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ccccc12 1797277592 XDXQJCMFXDEECF-BKFWDETESA-N 465.597 5.347 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1CSc1ccccc1)C2 1797920914 SYAKOGFWUANTSS-MWZSMPGESA-N 492.685 5.175 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)[C@@H]1c1cccnc1 1802493224 UNFQRGXQNCJCFF-LAUBAEHRSA-N 475.420 5.095 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)cc2)C3)c1 1803682961 UOZOTNYOQBOBLE-LXYWRUMBSA-N 463.581 5.546 30 20 JKED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1804184751 FJHVYIXNALHRPV-ZQLLTOETSA-N 475.608 5.089 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(-c5ccc(Cl)cc5)o4)CC3)C2)C1 1804778123 QKFYZHALNQAEAP-UHFFFAOYSA-N 452.982 5.411 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3F)C2)CC1 1805065180 RDXRAZZVABMECI-UHFFFAOYSA-N 477.096 5.375 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccsc3)C2)CC1)c1ccccc1 1807206703 IFGGAVZPYNUGTF-ZEWVGQQJSA-N 460.643 5.190 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)C3(C(F)(F)F)CCC3)C2)CC1 1809605443 PSSXEMHBTDHLAB-UHFFFAOYSA-N 470.652 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2cccc(F)c2)[C@H]1c1cccnc1 1810172482 PVTYWNIWVSIRTN-CKOJHNACSA-N 498.602 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1810175594 LVDDBNVBITZHEB-MIZPHKNDSA-N 487.522 5.068 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3ncccc3c2)[C@@H]1c1cccnc1 1810272441 OICHLAVJHPVYHM-LEAFIULHSA-N 498.703 5.001 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC=C(C)C)[C@H]1c1cccnc1)c1ccccc1 1810444479 PWSKSYBTHMHTKW-PBWSGDRGSA-N 457.618 5.031 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1810448769 XVYKJNHWSSQKQB-HPEBZSCQSA-N 479.624 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1810500254 NRJIQXVHNZJXMA-TZIWHRDSSA-N 451.592 5.201 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811418496 WXCINUPBYPBFPX-FDNCZKTJSA-N 491.016 5.091 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1812198615 XSMHUWKCQZLZNT-YKSBVNFPSA-N 475.614 5.090 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@H]1c1cccnc1 1812591212 UWEIRMBFQXAGSV-WJPUGNRLSA-N 495.929 5.165 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1812592359 UCYOLWFXQSREPX-WXVUKLJWSA-N 472.614 5.081 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1 1812808219 GAIFRRXDZDQODY-NEKDWFFYSA-N 492.639 5.337 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(SC)cc2)[C@@H]1c1cccnc1 1813237801 ZEGLOFJYXSDNMN-RDGATRHJSA-N 465.663 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1813988394 MKGWYYQEVGLKCL-IGKIAQTJSA-N 491.607 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCNC(=O)OC(C)(C)C)n[nH]1 1815486859 NXGFDJSVDFDBBI-HXUWFJFHSA-N 489.661 5.089 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(F)cc3)CC2)n[nH]1 1815625266 UIDLILUJNNRDPW-JOCHJYFZSA-N 450.558 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(F)(F)F)c[nH]2)n[nH]1 1818204839 HSEZRJZJFCZUOP-KRWDZBQOSA-N 451.493 5.055 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(F)CCCCC2(F)F)n[nH]1 1818884687 BYAFOGJYNQMKMV-JTSKRJEESA-N 454.537 5.312 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)nc3ccc(O)cc23)n[nH]1 1819004137 OOGOWNSXRVWNSO-HSZRJFAPSA-N 475.593 5.270 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819029144 HXTQHAPKEWPJGB-QGZVFWFLSA-N 479.562 5.316 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3c2)n[nH]1 1819130070 TYYFSDUBZKKAMB-QFIPXVFZSA-N 493.405 5.435 30 20 JKED C[C@@H](Sc1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1819257980 OMGRDXFGAZYCBK-OXQOHEQNSA-N 479.631 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)[nH]n1 1819304898 MCWICSSHRLXNNZ-UTKZUKDTSA-N 491.419 5.556 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)[nH]n1)c1ccccc1 1819517973 CPLIVMCLEPOLNG-QPPBQGQZSA-N 458.562 5.123 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)c1 1820483920 AVDTUJSGJSUVRL-INIZCTEOSA-N 474.373 5.269 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)[nH]n2)c1 1821325750 OPEHCTUWCMAFPY-DEOSSOPVSA-N 498.974 5.411 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)ccc3OC(F)(F)F)n[nH]2)C1 1821363209 GCZKWJBGZNRLTQ-KRWDZBQOSA-N 482.890 5.234 30 20 JKED Cc1ccc([C@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1822060476 UEFXFEMYWWVUOP-CPJSRVTESA-N 469.589 5.018 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)[nH]n1 1822391166 AXOMSDXGNCPOOW-JOCHJYFZSA-N 493.405 5.435 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(-c4cccnc4)cc3)sc2C1 1823151401 TXJFTKYLEXIZCK-FGZHOGPDSA-N 472.614 5.199 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(F)c1F 1823195491 NLBCUIRVFRXGJP-IERDGZPVSA-N 477.515 5.243 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212529 OXPZJEQHHQOVKF-VLIAUNLRSA-N 499.493 5.577 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)n[nH]2)cc1 1823299269 KMHLVAABKUREGK-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823676224 SBHLEASNDXELMC-DEOSSOPVSA-N 472.029 5.037 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1823811936 GQMYNMWGVUHJLX-SANMLTNESA-N 489.019 5.169 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c1 1824052903 ZDPBSIBYJYZJQW-DEOSSOPVSA-N 486.641 5.034 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1824539981 YHKXWQYSZWMASC-UYAOXDASSA-N 457.467 5.181 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824985979 ATSWNXNWXPMHRD-RUZDIDTESA-N 491.072 5.102 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734375 CSKCRVHOICDCNE-AUSIDOKSSA-N 469.025 6.046 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166063 HCTHXJRFWJBCJY-XLIONFOSSA-N 490.069 5.589 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828254627 IKQVSSPYUNOEJS-HSZRJFAPSA-N 451.636 5.032 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)CC1 1828601673 FSKBCPPAIYVQOI-IBGZPJMESA-N 488.451 5.201 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828656960 QSXQMZGERJSVGQ-HSZRJFAPSA-N 496.449 5.385 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 1828827638 ZYMSZGBOMQARBS-CTNGQTDRSA-N 463.544 5.102 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829598091 QVYFSAYDEWUVIU-VGSWGCGISA-N 481.687 5.448 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c1Cl 1829690275 UTKNNTPPFSNMPP-QFIPXVFZSA-N 475.976 5.505 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1829967517 BCTADJHWSSINBY-RXFWQSSRSA-N 461.581 5.308 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830169654 KRRQPBQALGTWJF-AREMUKBSSA-N 494.701 5.536 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)CC2)C1 1830655047 KNPMTZSDKDOHFH-FQEVSTJZSA-N 453.385 5.332 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c(Cl)c1 1830721444 FZVTWIJHVIMHDO-HSZRJFAPSA-N 493.032 5.368 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccn3)nc3ncccc23)CC1 1831373357 CNCNCAQCLXYXJT-KDYSTLNUSA-N 497.643 5.137 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831446390 JWMTYPSBTQEZSI-JOCHJYFZSA-N 497.611 5.894 30 20 JKED COc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)cc2ccccc2c1Cl 1832786483 XHIMZCMOBQCRQO-HSZRJFAPSA-N 494.035 5.429 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCCCc2ccccc2)CC1 1832862238 HRVWXWRZSRVMLL-AREMUKBSSA-N 451.655 5.493 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2ccc(CC)cc2)cc1 10173789 ATIPUNBZFPMAOQ-UHFFFAOYSA-O 481.641 6.653 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)cc1 10173877 PWZCPHHLVPNTDJ-UHFFFAOYSA-O 462.639 5.258 30 20 JKED CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 10355317 YIUGQUJKGBBLMB-DEOSSOPVSA-N 483.553 5.123 30 20 JKED CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 10355325 KFPXBCYEIDUSRT-DEOSSOPVSA-N 483.553 5.123 30 20 JKED Cc1cc(C)c(Nc2nnc(SCC(=O)Nc3ccccc3SCC#N)s2)c(Cl)c1 16328483 PNTDEMZXHZILMO-UHFFFAOYSA-N 476.052 5.898 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)=O)nnc1-c1ccc(Br)cc1 16832730 AGCPVAAGCCQARF-OAHLLOKOSA-N 485.407 5.216 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccc(OC)cc1 18771516 PAZGVUSTXKTPFB-UHFFFAOYSA-N 464.591 5.099 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Cl)c2)cc1 22730575 AYGLCFOUXOFSCF-UHFFFAOYSA-O 473.996 6.860 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22730994 DLKSMNVIHJQHIZ-UHFFFAOYSA-O 453.578 6.163 30 20 JKED N#Cc1c(CCCNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)nn(-c2ccc(F)cc2)c1N 25165569 ZTYBDCCDFOBWIA-UHFFFAOYSA-N 499.512 5.045 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(Br)cc3)o2)c1 31639184 LDZRXCMPBZQTIO-MRXNPFEDSA-N 485.407 5.543 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 32785632 YPFKXWLCNFGSCH-NRFANRHFSA-N 459.619 5.099 30 20 JKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccccc2C#N)o1 68711180 YRWCNCHGUUKDJH-UHFFFAOYSA-N 486.355 5.528 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 105721723 MJTHXJDHVVJJGD-DEOSSOPVSA-N 459.549 5.126 30 20 JKED N#Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)ccc1OCC(F)(F)F 107878428 VGYSIDLRRZCGAV-QGZVFWFLSA-N 486.277 5.049 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 255930359 GGJAXDZCNDEAMS-SFHVURJKSA-N 471.026 5.283 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3n[nH]c(-c4ccccc4O)n3)c2C#N)C1 436851737 MBTMYZUXRNADTR-CQSZACIVSA-N 481.647 5.382 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 479861208 INWPGHJKKNCVHQ-YLJYHZDGSA-N 486.638 5.020 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1Cl 491570696 SMHNYAZGWQKYRC-BWKNWUBXSA-N 465.041 6.115 30 20 JKED N#C[C@H](C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1nc2ccccc2[nH]1 499159235 VEMORZJXFULOLZ-CQSZACIVSA-N 469.854 5.400 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 501166249 WZFMRGGDKAKHRT-UHFFFAOYSA-N 473.935 6.480 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 508276249 STQFWUCNJOGKFJ-LJQANCHMSA-N 469.545 5.099 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)N2CCCC2)cc1 509899668 OQMIKGSWOOHLHX-MUUNZHRXSA-N 484.600 5.299 30 20 JKED C[C@@H]1CN(C(C)(C)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H](C)O1 510024003 QQOLNPBAPLSMGH-JBYIUTFZSA-N 455.002 5.005 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1Cl 510040270 AZUMGUSAEPLPMQ-VWLOTQADSA-N 498.970 5.840 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511373786 QTVUUKWUMIBAHE-NDEPHWFRSA-N 469.585 6.489 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)N1CCCCC1 511461502 VPJZWOGHDFJWCV-AREMUKBSSA-N 497.599 5.168 30 20 JKED CN(Cc1ccc(Br)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511494874 BCACLEQINQMQQM-UHFFFAOYSA-N 463.335 5.237 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2[N+](=O)[O-])n1 513686784 FYSOQFMWHJNTCP-CYBMUJFWSA-N 452.542 5.611 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 514451634 HQAOWZDCPMNYAN-UHFFFAOYSA-N 490.401 5.554 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 515827634 DHYSAANBVCGXOA-LJQANCHMSA-N 450.498 5.841 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4SC[C@@H](C)C#N)cc3)o2)c1 517456166 AYPYUDMIKORLOJ-SFHVURJKSA-N 454.555 6.216 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 518462554 WHAGYAJYMLGFLB-INIZCTEOSA-N 471.985 6.252 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H]1CCc2c(Cl)cccc21 519441919 UVSAOGAQXRGACL-INIZCTEOSA-N 467.900 5.107 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 520198884 JPFITEUVYUSDEU-AVRDEDQJSA-N 471.582 5.326 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 520540009 YXVCEVIZQYACDS-HNNXBMFYSA-N 454.596 5.419 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2c[nH]c3ccccc23)cc1 520858131 OGMZLGBDMNMRIT-CVDCTZTESA-N 484.625 6.382 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnn1-c1ccc(OC(C)C)cc1 520915550 YHEZJJPYNCOPAF-UHFFFAOYSA-N 453.502 5.279 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521209008 MYNSOSJMHPIHBR-UHFFFAOYSA-N 465.956 6.568 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 521812373 RLCXWBOUEDROFF-GDBMZVCRSA-N 454.596 6.535 30 20 JKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1ccc(Cl)cc1 522478188 GJRWIKJEZKSPIJ-UHFFFAOYSA-N 478.792 6.434 30 20 JKED COc1cc([C@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OCc1ccncc1 524383950 CZTLNIIJQZHOCZ-IBGZPJMESA-N 483.524 5.204 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)cc2)c1 524388121 KKIRJUVZYJQDAJ-UHFFFAOYSA-N 450.420 5.144 30 20 JKED COc1ccccc1-c1nnc(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)n1-c1ccc(C)cc1 589721871 CVALWIZMEUYGDW-XMMPIXPASA-N 481.581 5.021 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)nc(O)c2c1C 602754955 DERJBESLEBIPLR-ZWNOBZJWSA-N 472.661 5.332 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)cc1OC 603601380 XPIALGWRTVLPMZ-UHFFFAOYSA-N 472.526 5.447 30 20 JKED N#Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)ccc1Cl 603697388 LFDWWVZKHVUWAZ-IBGZPJMESA-N 477.351 5.233 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1Cl 603758988 QXCXSJNZCDAYRD-FQEVSTJZSA-N 498.867 6.591 30 20 JKED N#Cc1c(NC(=O)c2ccc(F)cc2I)sc2c1CCCCCC2 603996148 BWTNHALCLOBIBJ-UHFFFAOYSA-N 454.308 5.275 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 604003619 IHNJXHXVRRAEHH-UHFFFAOYSA-N 467.550 5.898 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H](Cc3ccccc3)c3ccccc3)c2)cc1 604136506 YZLIDRSRHWTYJZ-GDLZYMKVSA-N 489.575 5.370 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 604488245 LURYTSBNUQUPCC-UHFFFAOYSA-N 462.428 5.182 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604500512 OADOFUJHHSWGLQ-DEOSSOPVSA-N 458.949 5.548 30 20 JKED N#Cc1cccc(NC(=O)CS(=O)(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 608784470 ZFMFHOXPTNGKJY-UHFFFAOYSA-N 459.354 5.008 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(-n2cncn2)cc1 609079568 CSDHXAGUYMPRCS-KRWDZBQOSA-N 472.936 5.254 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 609191505 MOWPWCNLXDJUAJ-CYVLTUHYSA-N 462.575 5.924 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccccc4SCCC#N)cc3C2=O)c1 609375743 VXFGBYOESFVQGH-UHFFFAOYSA-N 455.539 5.362 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 609403567 HUCODDAXMABTHQ-OALUTQOASA-N 475.536 5.492 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)cc2)c1 609434272 NJYMAQPYYGFYHI-UHFFFAOYSA-N 466.541 5.439 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 609436507 NSOLWAHMFCRZLA-QGZVFWFLSA-N 477.552 5.970 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 609439039 UCRVSOQVVOGZBQ-XMSQKQJNSA-N 487.069 5.708 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc(OC)c1OCc1ccccc1 609577421 BPCYFRSBPJCMAT-MRXNPFEDSA-N 462.571 5.593 30 20 JKED CCOc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)o1 611198706 PXGDJDLPLQOFEJ-UHFFFAOYSA-N 479.606 5.661 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)n2)cc1 612894705 JFYMZNVVKXJGHS-QHCPKHFHSA-N 476.561 5.367 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)cc1 613289934 YUYHNRRRRXNPRR-MRXNPFEDSA-N 476.583 5.206 30 20 JKED N#C[C@@H](C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc(-c2ccc(Cl)cc2)cs1 613320454 YVHBZAGDKQRKOQ-AWEZNQCLSA-N 473.867 5.553 30 20 JKED N#C[C@@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc2cc(C(F)(F)F)ccc2s1 613405277 WLFZVKJWZLLUJX-LBPRGKRZSA-N 452.841 5.620 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccc(F)cc1F 613405287 WXEXNZBRIUXMMC-CYBMUJFWSA-N 462.403 5.578 30 20 JKED C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(C)c(Cc4ccc5c(c4)OCO5)sc3n2)c1C 614108304 FWEGAQGBYKWSFH-UHFFFAOYSA-N 475.570 5.055 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)cc1 615001893 QGCGDCGTTIZMEI-JOCHJYFZSA-N 465.347 5.124 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2Br)no1 620847273 DZARVOKPZGHUDF-SFHVURJKSA-N 462.303 5.363 30 20 JKED O=C(c1cccc(OC(F)F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516695 NAHSLEFCOHYVHZ-MRXNPFEDSA-N 469.328 5.539 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1C 642282150 OLUUTVQPFJSJNP-MRXNPFEDSA-N 495.548 5.144 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2cccc(COC(C)(C)C)c2)C1=O 726105632 CQPYUAYBJPWAHM-OAQYLSRUSA-N 488.053 5.231 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3ccco3)C2=O)c1 726407418 REKOMZIJVSALAY-JOCHJYFZSA-N 492.988 5.582 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 726409565 BPIPGKWXPHRNQY-HJPURHCSSA-N 490.535 5.063 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414393 ALEFROIFJNUNGL-QHCPKHFHSA-N 483.634 5.087 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1NC(C)=O 726428677 NXTKLFDAGZFWKF-BJMVGYQFSA-N 466.877 5.904 30 20 JKED Cc1cccc(NC(=O)COc2ccc(CCNC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)c1 726476451 HDEAWHGDDWEWMQ-UHFFFAOYSA-N 479.005 5.067 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)c(Cl)c1 726890528 LNCZTWKOFMWQAC-INIZCTEOSA-N 486.808 5.636 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CC(C)C)cc1Cl 726893282 ZIXHBNJMFQGAQT-NRFANRHFSA-N 488.009 5.168 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1=S 727429237 NVXPSNPUDMHLBE-HXUWFJFHSA-N 462.953 5.230 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1nc2cc(Cl)ccc2s1 728765515 MGOIGYYTFVKIPM-ZDUSSCGKSA-N 472.020 5.573 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728777003 HRUSEJWONBKGHV-OAQYLSRUSA-N 485.009 5.311 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(Cl)c1 728778987 WITMWLCFSZEERO-QHCPKHFHSA-N 491.016 6.147 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 729144508 CYTBZLFITBXPQO-OAQYLSRUSA-N 496.633 5.875 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 729570096 XQVDSUZQRQNXJB-QFIPXVFZSA-N 478.593 5.309 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2ncccc2C)C1=O 729631453 JAEKGGKXDTYHJS-DYGTUWESSA-N 494.642 5.050 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cccc(C(C)C)c2)cc1 729670774 ZDWPKQUSIQCFDW-UHFFFAOYSA-O 451.568 5.090 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CCC3)C2=O)cc1 730459912 OYBSJWZQDWYCFQ-FQEVSTJZSA-N 489.519 5.421 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1C 730944065 QPPHUBFPYGYQNW-GBXCKJPGSA-N 472.614 5.098 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(Br)cc2n1 731074883 UOFXLNXUJDILQC-AWEZNQCLSA-N 498.402 5.353 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1ccccn1 731311057 VSYQMXBIXPKPSV-AVRDEDQJSA-N 474.586 5.126 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 743525917 MLGZYAJQIBNWTE-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 799212160 VUXSRWOULXXEGZ-QGZVFWFLSA-N 494.495 5.043 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CC(F)(F)F)C1=O 799222064 WYCAGUIHYIDQLH-MRXNPFEDSA-N 490.334 5.824 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(CC(F)(F)F)C1=O)Nc1ccccc1 799222102 QENHRRGOOYGHDZ-HNNXBMFYSA-N 491.413 5.108 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 837704257 KQYVQGPIIQIANI-KKSFZXQISA-N 464.978 5.457 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)CCc2ccco2)cc1 838039474 DLOSZYJEXQYAIO-HXOBKFHXSA-N 495.576 5.409 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)c(C)c2c1 912584560 JOFNCMTXEQMSQD-NRFANRHFSA-N 474.557 5.372 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2ccco2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102548 WZXNUIIBQLMLTF-CYBMUJFWSA-N 459.314 5.569 30 20 JKED N#C[C@H](C(=O)c1cn(-c2ccccc2Br)nn1)c1nc2cc(C(F)(F)F)ccc2s1 915104685 JAOWTMZKILYZCU-LLVKDONJSA-N 492.280 5.148 30 20 JKED Cc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)o1 915111021 HFXUPIRKPAMCJG-OAQYLSRUSA-N 469.513 5.069 30 20 JKED COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Br 915349979 DKYNYTKEHOBWSD-IERDGZPVSA-N 464.363 5.996 30 20 JKED N#Cc1c2c(n(-c3ccccc3)c1NC(=O)COC(=O)c1csc(-c3cccs3)n1)CCCC2 915380925 MMFCGNCBVHPWNR-UHFFFAOYSA-N 488.594 5.208 30 20 JKED Cn1c(-c2ccc(Cl)cc2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 915670208 BWBIYUUQKKKOPW-UHFFFAOYSA-N 451.905 5.165 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccco3)C2=O)c1 916207226 DCPKEJUQNQAWDX-HSZRJFAPSA-N 493.585 5.074 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)cc1 916209314 JRJGCTRRWCSKEZ-OAQYLSRUSA-N 481.961 5.296 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2cc(Br)ccc2o1 916888249 UOHOQEIGFPRFQT-AWEZNQCLSA-N 465.275 5.471 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916906300 PPUWXMCYIJRFJM-INIZCTEOSA-N 470.268 5.655 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 916926095 RRSAYGLMWINFET-IBGZPJMESA-N 475.526 5.414 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928971 ZJMKVWQOWJWNEZ-AWEZNQCLSA-N 493.803 5.581 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OCc1ccccc1 916946594 ZIZWNBPVULEQLK-HXUWFJFHSA-N 499.350 5.551 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 916947461 KUKKOEAOJXXZKP-YMSRPXOMSA-N 467.569 5.409 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 916955343 PLHOCUGPGMSYJN-XDHUDOTRSA-N 459.546 5.274 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C)cc3Br)n2)cc1 916974812 RQCFGKFEOAYMAK-NVXWUHKLSA-N 455.377 5.833 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1 916975980 HQQZKRNDRXRARN-OALUTQOASA-N 458.370 5.561 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977067 IDTLVNLARVCNEY-HXUWFJFHSA-N 494.045 6.136 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OCC 917026708 MLCWLPBAYQPKBR-QGZVFWFLSA-N 485.403 5.789 30 20 JKED N#C[C@@H](C(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)c1nc2cc(Cl)ccc2s1 917043777 NFEYFXWWEAJHHM-LBPRGKRZSA-N 487.031 5.258 30 20 JKED C=CCN(C(=O)c1cc(C)nc2cc(C)nn12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 917624915 SGOBUQKRSRAXHU-UHFFFAOYSA-N 458.374 5.609 30 20 JKED CC(C)c1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)c1 917637035 XPXJSNBOOQQACN-KRWDZBQOSA-N 470.809 6.018 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 917668998 KJHBERYESKVVAW-HXUWFJFHSA-N 453.564 5.356 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1CC 917687180 NGLNQTBZZKWUNO-HXUWFJFHSA-N 493.551 5.265 30 20 JKED C[C@H](OC(=O)c1ccc(F)cc1NC(=O)c1ccoc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919491030 YBCIKWHRYQZQQN-AWEZNQCLSA-N 495.532 5.057 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cs2)cc1 919638063 XZIVDHWFQBEZQO-DEOSSOPVSA-N 477.586 5.409 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3c(C)noc3C)C2=O)cc1 920353108 AXYZPVCHJWKIPJ-QFIPXVFZSA-N 462.575 5.069 30 20 JKED C[C@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)N(CCC#N)c1ccc(F)cc1 928967361 ONELUXDWIUTIRF-WMZHIEFXSA-N 478.593 5.296 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)nc3ccccc23)C1 1778575338 XIJGFSDISYXCOZ-AJTFRIOCSA-N 484.040 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccn(C(C)(C)C)n4)cc3)CCC2)c1 1787123808 WPQCCTNRNFAMIF-IBGZPJMESA-N 469.589 5.327 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4cc(OC)ccc4o3)cc2)CCC1)C(F)(F)F 1789241854 NSSDSJQVMQFXPK-UHFFFAOYSA-N 458.436 5.308 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789938025 MBQBRLZSHNPFEI-UHFFFAOYSA-N 451.570 5.690 30 20 JKED COc1c(Cl)ccnc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1790144046 JUEISNHWVASGDZ-UHFFFAOYSA-N 495.366 5.330 30 20 JKED CC(C)Oc1ccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)cc1Br 1790381990 KNOJZGBMOYPUED-VZUCSPMQSA-N 496.405 5.297 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nscc45)cc3)CCC2)cc1 1790943643 NGVNUDOSFVGCHP-UHFFFAOYSA-N 452.539 5.229 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(O)c4cc3OC)CCC2)cc1 1791583869 CFKSVTSTLOQPNI-UHFFFAOYSA-N 456.542 5.105 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]nc(Br)c4c3)CCC2)cc1 1791729129 XPWVTHAPAUFNRO-UHFFFAOYSA-N 493.405 5.267 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)c1 1792122187 KWTBFTQUHVJTBG-MRXNPFEDSA-N 493.394 6.077 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4COc5ccccc5O4)CCC3)cc2)c1 1792123205 NQDODKNRJQOLTF-NLFFAJNJSA-N 495.579 5.291 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)C[C@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206645 LOZLSUNWTXLADS-KAWPREARSA-N 469.626 5.026 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2[nH]c3ccoc3c2-c2ccccc2)c1 1799112138 FMTSKQPHXHTWCS-BKFWDETESA-N 492.579 5.184 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)CCCCCCCCCCC(=O)OC)[C@H]2c2cccnc2)C1 1802418163 OGIQLIWMDVBGFB-CUBQBAPOSA-N 497.680 5.128 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1802498988 DPGLKHKISMEHBD-JTSKRJEESA-N 475.967 5.325 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2Cl)[C@H]1c1cccnc1 1802499088 FTJZZQNLKFNUCL-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1803079884 QIAPMNBHQLDUEN-OPHFCASCSA-N 463.647 5.037 30 20 JKED Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)ccc2C(F)(F)F)c(C(F)(F)F)o1 1803866569 KSNRQHHRRVELJJ-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1806410380 NNNVKMAPDPSGLT-XTEPFMGCSA-N 469.629 5.476 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1808877557 WZGZBJKKDROICU-AZGAKELHSA-N 451.655 5.462 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(C)ccc2F)[C@H]1c1cccnc1)c1ccccc1 1811031850 GHJYYTNJKZLACF-PNIUZAESSA-N 483.587 5.046 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c1Cl 1811421333 YJAMCDZRQIWATJ-WPHJTNLESA-N 477.008 5.063 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)c1 1811953850 UYKBTIHFLOJKFB-BDYUSTAISA-N 466.585 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1812115647 SMHWGLZARCRYQO-CJFMBICVSA-N 491.035 5.595 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1 1812808306 GOVGZCBOEODTDZ-RSXGOPAZSA-N 460.622 5.269 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)[nH]n1 1814442944 BPAAVVXMZHJLII-HSZRJFAPSA-N 475.593 5.270 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1 1815568990 JLKLULGKAZZVBU-SFHVURJKSA-N 470.612 5.186 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)[C@H](C)CC)n[nH]1 1816846576 APVKNJYOHQWCEU-MEKIYTOJSA-N 454.640 5.151 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817773638 MPEZROXKMREXIS-DEOSSOPVSA-N 465.557 5.507 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)[nH]n1 1819305583 WFORHSHIRDAGCP-RDGATRHJSA-N 499.615 5.555 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1819306195 ZLGBFCZFXHQVOG-VGOFRKELSA-N 477.996 5.686 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CC=C)C(=C)C)n[nH]1)NC(=O)OC(C)(C)C 1819311132 NAIWYUYFNCXFTM-VWPQPMDRSA-N 499.656 5.030 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c1Cl 1820219574 TZEUTBCKZHFYEV-QGZVFWFLSA-N 479.949 5.362 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)cc1 1820426594 HTQIMUCTKHHTES-NRFANRHFSA-N 479.943 5.013 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)cc1 1821179857 OBLFGZFJBPCLRG-OAQYLSRUSA-N 483.906 5.027 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(-c3cnco3)c2)n[nH]1 1821186975 YOQKZLOXFAYCQI-OAQYLSRUSA-N 461.566 5.363 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1821324797 HWWRAKDOJUGJHV-GTCGAKFVSA-N 479.540 5.355 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)c1 1821324899 HJFMXQRPEIKXRS-QFIPXVFZSA-N 487.947 5.609 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)n[nH]1 1821787766 IXYNNHMKDDCZBY-OGMXRKNYSA-N 489.664 5.300 30 20 JKED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccc(OCc3ccccc3)cc2)C(C)C)n[nH]1 1822254622 VJNHVDZYGQYBBO-LEAFIULHSA-N 484.600 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2)n[nH]1 1823268835 CZQIGWRLJFEDTC-VWNXMTODSA-N 462.594 5.273 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)[nH]n2)cc1C#N 1823291456 SLFBJBYDFWQYSF-FPOVZHCZSA-N 499.562 5.200 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCCCCCCCCC(=O)OC)n[nH]2)C1 1823534901 ZTABMZDDFVWNOI-HSZRJFAPSA-N 486.657 5.442 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1824510450 NEEARHASXCLXJY-UTKZUKDTSA-N 475.054 5.379 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)nc3ccccn23)CC1)c1ccccc1 1828067338 AAHUFMFLOSHCOO-SXOMAYOGSA-N 496.655 5.073 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c1 1828261543 PBBRAOUNHBEVJM-FQRUVTKNSA-N 469.585 5.607 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1828601986 NIBCGUNKKWLOPW-XMMPIXPASA-N 489.616 5.388 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1828826758 LLRPNLISDSYJSG-QFQXNSOFSA-N 495.067 5.732 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)CC1 1828936864 SXPPBTRTUWDXHW-UHRQBARKSA-N 466.691 5.486 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC)cc2)CC1)c1ccccc1 1829032203 GCKJPGRAIXAITA-VSGBNLITSA-N 471.645 5.159 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cn2)CC1)c1ccccc1 1829033423 WYZHBDIVAUIDRO-AHWVRZQESA-N 478.036 5.166 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2SCC)CC1 1829068664 JQRFVJONSILJER-NRFANRHFSA-N 457.684 5.419 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2Cl)CC1 1829216947 PFPZVRKDOUPEFV-HSZRJFAPSA-N 474.121 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)CC1 1829686828 AXTFPWRMIZNISD-AREMUKBSSA-N 474.649 5.369 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829693037 SRURMVSJGDURLW-HSZRJFAPSA-N 467.972 5.206 30 20 JKED COc1cc(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830463424 FSZJOZPBMHARDT-XMMPIXPASA-N 480.008 5.076 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c(Cl)c1 1830721859 SASMKYLQBYOUNS-VWLOTQADSA-N 474.992 5.240 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1831014943 ADNUXLRGVJTVQV-JOCHJYFZSA-N 485.072 5.522 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1)C(F)(F)F 1831455632 NCCJYZGZLFWYSW-WCYCAPIHSA-N 473.539 5.228 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1831840825 QWZZGFRYPJJHPL-OPAMFIHVSA-N 489.479 5.154 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1831851196 ZDTJCOYFVOCHBB-VWLOTQADSA-N 494.035 5.564 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1832029621 JLWONSQCMKPSIY-VWLOTQADSA-N 485.628 5.650 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1832034772 VJCJJWHCQIWMDG-SANMLTNESA-N 499.095 5.202 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719848 MXJCBRZRQZMSRB-FOIQADDNSA-N 487.855 5.471 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1832822632 MHJSVDSDAQFKLI-FQEVSTJZSA-N 485.839 5.059 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)CC1 1836697809 WZNMNXCQOOLART-UHFFFAOYSA-N 484.040 5.202 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(C)(C)C)s3)CC2)CC1 1838162481 OHMCKGQMASBYIP-QFIPXVFZSA-N 472.695 5.426 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CC1 1838749801 KABJQTDSGISNIS-MRXNPFEDSA-N 486.962 5.183 30 20 JKED C=C1CC(C(=O)N2CC3(CCCN3C(=O)c3ccc(F)c(F)c3CSc3ccccc3)C2)C1 1844759183 OSUJJEDCGWXVPF-UHFFFAOYSA-N 468.569 5.040 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c(Cl)c1 1845488107 ZTPIPDAXDNZMHI-UHFFFAOYSA-N 480.351 5.256 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10761086 OWUSMYWNBUXIPE-UHFFFAOYSA-O 453.990 5.869 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836732 BVLLGDLRDMLIRA-UHFFFAOYSA-O 461.438 5.850 30 20 JKED N#Cc1ccc(OC[C@@H](O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 15237020 QOKXGXCYJQZCMW-GOSISDBHSA-N 454.983 5.117 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 21125488 TVIURHYTQAMUSC-UHFFFAOYSA-N 495.605 5.345 30 20 JKED CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)cc2)cc1 22885677 XVZLDZUSQBOSKT-FQEVSTJZSA-N 470.525 5.080 30 20 JKED CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 23379083 JYUWCVUQPBSNNB-OAHLLOKOSA-N 471.583 5.247 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1 26762508 XXKIXXRKZMHMJM-HAHDFKILSA-N 458.587 5.110 30 20 JKED CC(C)(C#N)c1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 28373742 QOLYIVDMPVOIGT-QFIPXVFZSA-N 493.361 5.950 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc(C(C)(C)C)cc1 28811008 NEJJFROFMZTOSU-UHFFFAOYSA-O 496.494 6.647 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nc2sccc2c1=O 36828142 JDRRZAAMTLMHDT-UHFFFAOYSA-N 457.602 5.077 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)Nc3sc(C)c(C)c3C#N)CCC(=O)N2c2ccc(OC)cc2)cc1 104683555 VVEUBIWZQVUIFY-WIOPSUGQSA-N 489.597 5.377 30 20 JKED CC(C)Cn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccco1 105436023 HLSPCEBAUAYZMJ-UHFFFAOYSA-N 455.609 5.127 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12 107639329 XKQYXFZEAYLVMT-UHFFFAOYSA-N 465.435 5.009 30 20 JKED Cc1occc1C(=O)Nc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1F 108827611 OXWFNUJSKMSHRK-UHFFFAOYSA-N 469.472 5.682 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnn(-c2ccccn2)c1C(F)(F)F 140207694 NGKWVLQTUNOXEB-UHFFFAOYSA-N 468.279 5.576 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc12 195557477 CWTZXOPWIZWAKC-KRWDZBQOSA-N 495.942 6.343 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nnc1-c1ccccc1F 195568829 ZUBDHECDGDTJDA-UHFFFAOYSA-N 493.633 6.320 30 20 JKED C=CCOc1cccc(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)c1 195631621 SPGYQOZDQDFICN-UHFFFAOYSA-N 455.308 5.136 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc12 195662356 QUSKCTFFIOVIEX-SFHVURJKSA-N 490.013 6.117 30 20 JKED Cc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1I 303236094 ZLOHRNUZNLKZHD-UHFFFAOYSA-N 468.294 5.303 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 303246383 AUYBRGCFZFCOGL-ZDUSSCGKSA-N 488.009 6.605 30 20 JKED CN1CCN(Cc2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2)CC1 410377125 ZVRKWRPTWLISAY-SANMLTNESA-N 488.035 5.065 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 481033943 GVQCMXVAHVMLNS-UHFFFAOYSA-N 455.489 5.320 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2F)c1 481625721 MYYPMIOMFDCHPK-UHFFFAOYSA-N 486.572 6.298 30 20 JKED CCOc1c(OC)cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 495125646 BGLGJDDMOOUONL-NRFANRHFSA-N 479.964 5.733 30 20 JKED COc1cc(C(=O)N(CCC#N)Cc2cccnc2)ccc1OCc1ccc(Br)s1 500065154 IZEDRDDGNABPKH-UHFFFAOYSA-N 486.391 5.049 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 502045654 VCDSWRSFNBBUER-UHFFFAOYSA-N 465.553 5.065 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1OC 503284455 OSQGNLTTYOAYMC-HXUWFJFHSA-N 491.510 5.536 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1Cl 504272889 YAIPDYHGNVCFPC-QHCPKHFHSA-N 458.949 5.291 30 20 JKED CCC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 506332170 MEYYMTVIHMDZHU-RBBKRZOGSA-N 458.953 5.701 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(SC)c(OC)c2)cc1 508277662 HYZOSVGRGPJWJU-UHFFFAOYSA-N 463.559 5.754 30 20 JKED CCOc1ccc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C(C)C)cc1 509561669 SEGZBEHQUUNVHQ-UHFFFAOYSA-N 457.574 6.173 30 20 JKED CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)[C@@H](C)c1ccc(C#N)cc1 509589529 WYJAUQWXDOPACN-INIZCTEOSA-N 453.999 5.192 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 510254336 OIVAGKZUUGAHOL-FQEVSTJZSA-N 490.357 5.413 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccccc1 514892036 IBKITGOGJWNZQY-OAHLLOKOSA-N 451.621 5.144 30 20 JKED CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2cccs2)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 515430133 RABWAVBOYFJPIM-BCYZHJNNSA-N 457.669 5.104 30 20 JKED N#C[C@@H](C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc2cc(Cl)ccc2s1 515539012 CFEUZJCEEAIWHT-IBGZPJMESA-N 466.971 5.414 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 516129841 NQKHLIYKNVAMBJ-UHFFFAOYSA-N 450.542 5.446 30 20 JKED CC(C)Oc1cccc([C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 516397017 RPRACHNDBBPWBL-IBGZPJMESA-N 473.598 5.567 30 20 JKED CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 517484128 JTIXFFHEEVGLLO-GOSISDBHSA-N 487.387 5.467 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 518683175 KZCBRRPNEXLNRK-HNNXBMFYSA-N 463.529 5.143 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2)cc1 519078212 FEHLQOSGEIEMME-UHFFFAOYSA-N 464.525 5.177 30 20 JKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 520429877 VZPYKWYOISHFFO-HNNXBMFYSA-N 450.491 5.871 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 520600066 YNPMGSWZILCXQH-UHFFFAOYSA-N 456.546 5.099 30 20 JKED N#Cc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)cc1Cl 520793483 VTBYPHUNTBLNKF-UHFFFAOYSA-N 476.192 5.654 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCCC1 520845467 HUKANJPNZGWJKZ-UHFFFAOYSA-N 493.526 5.417 30 20 JKED CC(=O)c1cccc(OCCCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 521205489 CTLLIHVVWLWJOW-UHFFFAOYSA-N 487.503 5.625 30 20 JKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Br)cc1 521383377 LCLXYVGMUVRVOR-LBPRGKRZSA-N 474.409 5.347 30 20 JKED COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1 521725901 HUNFQIYAGIFXIK-QGZVFWFLSA-N 495.626 5.309 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(NC(=O)CC4CCCC4)CC3)c2)cc1 521810653 YCHPFVXOFVKPCW-UHFFFAOYSA-N 474.605 5.024 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)c2)c1 523154541 PMSJLBLUXXAYLU-UHFFFAOYSA-N 491.503 5.241 30 20 JKED CC(C)CC(=O)Nc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 523619892 XOSBUCMPECTYJW-UHFFFAOYSA-N 472.564 5.594 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)s2)cc1 603449233 FJQRDBMZLYJQIG-UHFFFAOYSA-N 499.646 6.118 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)s2)c(C(F)(F)F)c1 603758444 YFJDPHUUTUWIEA-UHFFFAOYSA-N 472.404 5.531 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2I)cc1Cl 603765900 CHDOEKKXZLLKFO-GOSISDBHSA-N 490.703 5.991 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)CC1 603800152 JQLNOJVKNWHVAM-XMMPIXPASA-N 469.589 5.019 30 20 JKED Cc1nn(Cc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)c(C)c1[N+](=O)[O-] 603846213 DKAQPHBVSJKVQI-KRWDZBQOSA-N 465.922 5.210 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089572 FOAYGDBIZLYHNZ-UHFFFAOYSA-N 488.975 5.739 30 20 JKED C=CCN(C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604110435 PBOKAUSAJWBOJH-UHFFFAOYSA-N 465.922 5.390 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3ccccc3)cc2Cl)c1 609086903 HMJCWRFGDWVVIR-QHCPKHFHSA-N 459.933 5.093 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 609371050 VYTJGYRJHFWDRR-HNNXBMFYSA-N 488.038 5.030 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3F)o2)n(Cc2ccc(F)cc2)c1C 611197959 MSCHDWBXKDKSHG-UHFFFAOYSA-N 479.512 5.084 30 20 JKED Cc1ccc(-n2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)nn2)cc1 613344953 YYMGKXYFPWQPSZ-INIZCTEOSA-N 454.342 5.496 30 20 JKED C=CCn1c(SCC(=O)NCc2cc(F)cc(F)c2)nc2scc(-c3cccs3)c2c1=O 613827785 WSGRVQCPDUJDCE-UHFFFAOYSA-N 489.594 5.059 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)CC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 614536800 WSPJTVWLQGJENX-UHFFFAOYSA-N 460.386 6.298 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1OC 644493504 XPYMZWLYXHYNHN-UHFFFAOYSA-N 463.390 5.567 30 20 JKED C=CCN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc(-c2ccccc2)cs1 679995412 UWZYNTRTWPCXLQ-UHFFFAOYSA-N 482.030 6.261 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 726396688 FZONALLGPCBFPT-YWZLYKJASA-N 459.999 5.034 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(C2CCCC2)C1=O 726419995 GYTWMJFPSJFKOH-PDNRQDKUSA-N 457.621 5.089 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)cc2)cc1 726571312 SAYGKYNPWAGDIG-UHFFFAOYSA-O 455.390 6.038 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Cl)c(OCCCC)c(OCC)c1 726755683 UCPVZSPEOCEECN-UHFFFAOYSA-N 451.954 5.667 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cc1 727628326 UYLSUHCFYNHKJJ-NDEPHWFRSA-N 490.559 5.902 30 20 JKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 727628897 OLEDWJVAECQJJI-OAHLLOKOSA-N 486.544 6.018 30 20 JKED CC(C)(C)c1ccc(-c2ccc(NC(=O)C(=O)NCc3ccc(OCC#N)cc3)c(Cl)c2)cc1 727947503 MVWFDQSROCPXDY-UHFFFAOYSA-N 475.976 5.462 30 20 JKED N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 728345704 PGKJXQBMCSBFIF-OAQYLSRUSA-N 489.984 5.553 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728776688 DLXNBTURZNHPKV-HXUWFJFHSA-N 454.983 5.303 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c1C 728777267 JTUXIWYVLHIISS-OAQYLSRUSA-N 452.555 5.097 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)c1 728780698 XCLLQADIDPFQGS-QFIPXVFZSA-N 493.589 5.120 30 20 JKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc1 728982154 UDIPOTSKHYENFL-PMIVHWTLSA-N 483.568 5.038 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ncccc3C)C2=O)cc1 729631257 LNAQCBDGLCWVHN-QHCPKHFHSA-N 458.587 5.167 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 729889547 PNOKYXNNASXNOQ-IPVFLDMMSA-N 489.616 5.159 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COc4cc(C)c(C)nn4)c3C#N)C(C)(C)C2)o1 730442666 DUXRIURVALSUFD-VQHVLOKHSA-N 474.586 5.724 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 730687981 QXBLDYGLENPRES-HIFRSBDPSA-N 499.441 5.005 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1Cl 730715376 MUJPXUPEHWAKKY-RTWAWAEBSA-N 492.004 5.086 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)cc1 730720614 SFCPBAMDOHFAAM-FQEVSTJZSA-N 468.966 5.105 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 730901431 CRJIKUNTLLQNEX-HXUWFJFHSA-N 471.435 5.233 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)c1 731372201 RXHOQVIWNXADDO-YDZHTSKRSA-N 453.548 5.415 30 20 JKED C#CCN1CCC(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)CC1 742281117 WXXLHTODNGXVCW-UHFFFAOYSA-N 482.468 5.598 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCCC#N 747473114 RGQCCZGVBCLTKQ-ODLFYWEKSA-N 479.410 6.090 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3csc(C4CC4)n3)c2C#N)C1 747506722 JPBVTUCYOIMPEU-AWEZNQCLSA-N 457.621 5.290 30 20 JKED COc1ccc(Nc2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1 807924894 YUCICTUCOWMHLJ-KRWDZBQOSA-N 479.612 5.382 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 837704252 KQYVQGPIIQIANI-HRAATJIYSA-N 464.978 5.457 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccc(F)cc2)cn1 837779676 KDNHAGLERDFTPD-JOCHJYFZSA-N 492.576 5.007 30 20 JKED O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(C#Cc2ccccn2)c1 914450196 XPEODEZTPKUZMO-XLNRJJMWSA-N 489.647 5.163 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccc(F)c2)C1=O)Nc1ccccc1F 914772574 FCTYAZGRPAHOMQ-OAQYLSRUSA-N 487.478 5.404 30 20 JKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 914955660 BCBARFHETLBZJJ-ZWKOTPCHSA-N 490.560 5.107 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915353868 YSPSFFOMLAWXDR-JOCHJYFZSA-N 491.389 5.515 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccccc2OCc2cccnc2)c1 915956199 PIMRVABDYCWVJW-UHFFFAOYSA-N 473.602 5.434 30 20 JKED COc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)c(C)sc3n2)ccc1OCC#N 916156615 FVKWTKUAMUIBMZ-SFQUDFHCSA-N 463.946 6.020 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1Cl 916209930 VIVWQQPVVLQYKO-SFHVURJKSA-N 499.942 5.356 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)cc1 916212166 JXMYCNZMUHVMSO-OAQYLSRUSA-N 474.026 5.344 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1F 916212567 YDNMNYGSTTWLCT-LJQANCHMSA-N 475.904 5.372 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 916217944 YRZBJWJOGFYRCP-REWPJTCUSA-N 477.561 5.118 30 20 JKED N#C[C@@H](C(=O)CCc1cccc(Br)c1)C(=O)Nc1ccccc1Oc1ccccc1 916910403 SUUTXQUHOUVKKG-FQEVSTJZSA-N 463.331 5.522 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 916927637 MRRSODKJKKLDRQ-SIKLNZKXSA-N 480.351 5.202 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc(Cl)c1OCC(C)C 916940974 XTKJWMCNNSTKQV-CQSZACIVSA-N 453.297 5.137 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 916952389 KGWJHCREAAGOFY-QHCPKHFHSA-N 455.489 5.263 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 917046408 JSMQTEANZWTHSJ-AWEZNQCLSA-N 451.798 5.822 30 20 JKED COc1ccc(-c2noc(CCCC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)n2)cc1 917046493 KKRBSDZAUFIXAC-INIZCTEOSA-N 452.923 5.207 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1 917119880 ZSSRNFTXGLYPHA-PKTZIBPZSA-N 474.358 5.096 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)c1 917666177 CRYNVFKUDDKSQD-FQEVSTJZSA-N 469.563 5.056 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2[N+](=O)[O-])c1 917670026 YOVFGHKMXXWBMP-JOCHJYFZSA-N 474.542 5.064 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917678865 QHPVOBSKEAQICR-VABKMULXSA-N 497.064 5.236 30 20 JKED N#Cc1ccccc1/C=C/C(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 917875334 ZYKDSICLMWXWMQ-NTEUORMPSA-N 493.304 5.067 30 20 JKED Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(OCC#N)c2)c1 918596784 XIONJKYTMPNEBS-UHFFFAOYSA-N 477.586 5.248 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)n2)cc1 920141024 LNLPQRPIJCSYSK-ILBGXUMGSA-N 475.529 5.626 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 920610539 FDUGHLLBWZMKRM-UHFFFAOYSA-N 499.548 5.025 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 920806726 OQDAPGPHSNQCSV-SFHVURJKSA-N 481.524 5.313 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)Cc4noc5ccccc45)CCC3)cc2)c1 1786041033 BQMRLFKXIGKSAQ-UHFFFAOYSA-N 478.552 5.009 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1 1786261002 LICXCRTVKFNBRP-JOCHJYFZSA-N 469.626 5.170 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)on3)CCC2)cc1 1786546102 FCGJFRLFKVBONM-FQEVSTJZSA-N 496.608 5.015 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1 1786546732 XINMHBUOJXZGGK-XBJMDHIQSA-N 495.664 5.416 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnn(-c4cccnc4)c3)cc2)CCC1 1787139105 ZLRSMNDMFAUMDK-UHFFFAOYSA-N 457.578 5.007 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)CCC2)c(C#N)c1 1787765285 ZBHQLHFPHYFJHD-UHFFFAOYSA-N 487.987 5.140 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Br)c3)CCC2)cc1 1787889091 JPIQESWFTIKRDX-UHFFFAOYSA-N 460.759 5.154 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCC1 1788687175 BTVVTCARNWHRTP-GOSISDBHSA-N 493.991 6.149 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789200436 FLXAPGGJYGPBRP-XMMPIXPASA-N 495.664 5.494 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5scnc5c4)cc3)CCC2)cc1 1789341375 ZZFZBSQYBMRVKU-UHFFFAOYSA-N 452.539 5.229 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)c(Cl)c4)cc3)CCC2)ccc1F 1789739382 JYLOENATSFRNBD-UHFFFAOYSA-N 497.357 5.390 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccnc5)[nH]n4)cc3)CCC2)c1Cl 1789803015 UXWZZZDUGTUBMX-UHFFFAOYSA-N 496.958 5.058 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cc5cccnc5cc4F)CCC3)cc2)c1 1790258654 IALDMWMSMLSTBC-UHFFFAOYSA-N 478.527 5.236 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nscc45)CCC3)cc2)cc1 1790290547 XFWDNFQUPADEHO-UHFFFAOYSA-N 452.539 5.229 30 20 JKED CC(C)(C)OC(=O)CCCCCCC(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1790560147 ACSANIFPTTYVRQ-UHFFFAOYSA-N 481.637 5.497 30 20 JKED CCOc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790707841 QJSCZHQKNIIDKK-UHFFFAOYSA-N 453.542 5.213 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)c(C)o1 1790785329 GJRZOKRHWZIQIC-UHFFFAOYSA-N 481.474 5.848 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791517992 SSTRHBIRXLTAHB-SIKLNZKXSA-N 471.642 5.272 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4(F)CCC4)cc3)CCC2)cc(C(F)(F)F)c1 1792057177 XZNADXOPGHZQRB-UHFFFAOYSA-N 459.443 5.217 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/C(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1792061089 OGKLWAYETHYTGG-RCJYHZQCSA-N 469.626 5.192 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205413 ZDKYMYQSMYAPEE-REWPJTCUSA-N 481.637 5.336 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)[nH]c2c(Cl)cccc12 1796704196 QYSKCHDZBJZFIM-KQLYMOGASA-N 474.992 5.322 30 20 JKED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(Br)cccc2-c2ccccc2)CCC1 1799281100 ICQRYLMXMJCZJZ-ACDBMABISA-N 492.417 5.062 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4occ(Cl)c4c2)C3)c(Cl)c1 1800690401 MVDPJDBTTYRHGK-BJWYYQGGSA-N 468.340 5.177 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(Cl)cc2Cl)c1Cl 1801556345 CHJRNUHATDPLTO-REPLKXPHSA-N 490.818 5.403 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)COc2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1802492827 QQLZYDFVLBHGSH-AHWVRZQESA-N 477.649 5.084 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1802493484 YZCDYZIUNIMTJE-GJZUVCINSA-N 488.607 5.528 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1803087324 ROOWMYXWWAMPJG-OFNKIYASSA-N 472.416 5.476 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cc(F)ccc3Br)C2)CC1 1805119763 HJJYSTRPQPUCRZ-UHFFFAOYSA-N 477.418 5.201 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)Cc3ccc4ncccc4c3)C2)CC1)c1ccccc1 1806393060 YINWQDIDWKBXAU-NDEPHWFRSA-N 493.651 5.206 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC4(CCN(C(=O)CCc5cccc(C#N)c5)CC4)C3)c[nH]2)cc1 1807422389 JSVROQLWOXFVOS-UHFFFAOYSA-N 494.639 5.339 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1807968754 YBMBTHMFSRMBTR-CTNGQTDRSA-N 451.592 5.201 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809445424 MXWSETFUJRVEJU-MHECFPHRSA-N 466.006 5.073 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(s2)CCCC3)[C@@H]1c1cccnc1 1809769577 PURQFVXRNYMRIP-RDGATRHJSA-N 463.647 5.110 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1810276088 DHYKHMZSKBZBLI-QNWDWTFCSA-N 481.757 5.355 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)C2)CC1 1810440439 NRZRCQUPEASFAZ-OAQYLSRUSA-N 470.617 5.287 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1810489357 LJCDSUYMCFMVQN-HYBUGGRVSA-N 479.024 5.528 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccccc2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811251932 QDXRLVWMACGHFN-IHLOFXLRSA-N 485.587 5.115 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)cc2c1 1811745498 LMLGYHBOWHQLOP-RXFWQSSRSA-N 497.986 5.030 30 20 JKED Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c1Cl 1811752706 SASVNBDVPQWTSO-YADARESESA-N 493.394 5.202 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)s1 1813374538 VSFOTDGAXXTZLI-KPCXDUHHSA-N 484.625 5.112 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4c(c3)c3ccccc3n4CC)[nH]n2)C1 1814397359 YFNWGOHDMFQNBA-AREMUKBSSA-N 481.600 5.810 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)[nH]n1 1814441492 KTXDDRXJEFTUNE-LJQANCHMSA-N 499.612 5.648 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](c3ccccc3)C(C)C)n[nH]2)c1 1814930768 BRVFCVYHTMHRMS-AZGAKELHSA-N 485.588 5.036 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1818799645 WYKMVUBSXHYGHZ-QFIPXVFZSA-N 494.020 5.341 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)cc12 1819056317 HRMDHHDGHNVLBA-CJAUYULYSA-N 480.572 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCCC)cc2)[nH]n1 1819307200 CMMPLNIPADBFIG-FYYLOGMGSA-N 450.583 5.273 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(-c3cccnc3)cc1)CC2 1819602998 HWUVZRQXWYXRKV-YADHBBJMSA-N 472.614 5.199 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820217690 LHGHTGJAZBTNKE-QFIPXVFZSA-N 491.979 5.018 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)[nH]c12 1820219038 JBBZQBIAPPKAQO-OAQYLSRUSA-N 486.963 5.344 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821307810 ALJGSRYFGCPARI-OAQYLSRUSA-N 485.510 5.374 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)cc1Cl 1821339412 IZICWEGJWGQFBT-GOSISDBHSA-N 492.407 5.359 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[nH]n1 1821919697 BNMNNOSPYWELQJ-HOYKHHGWSA-N 482.588 5.471 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1821919702 BOEGRCPLTRCWDW-MGPUTAFESA-N 467.957 5.236 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1822055212 PQZKWVAPYMYYFE-CJFMBICVSA-N 469.589 5.284 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(-c4cnco4)c3)sc2C1 1823508188 FRGYBYLVDQCAQU-GOSISDBHSA-N 464.591 5.016 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1823698326 JWWLTGUEIQWXEZ-RPBOFIJWSA-N 457.058 5.666 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1824138314 ZXAUSHNTGJQOTH-QFIPXVFZSA-N 489.056 5.359 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2Cl)CC1 1824879502 BRRQQPKPLDKQKW-LADGPHEKSA-N 461.021 5.410 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CC1 1826688868 SUSKMYYRPYSUES-SFHVURJKSA-N 468.812 5.184 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1826690406 WOMNGNVADQMQDK-MHZLTWQESA-N 480.612 5.439 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)CC1 1827937413 URMRSVAWWAQIPU-IBGZPJMESA-N 467.576 5.270 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(O)ccc3n2)CC1 1828088590 KYTJGKCTRYEPDG-RUZDIDTESA-N 463.622 5.166 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1828608218 GNUYKKWOJUWRAO-KKSFZXQISA-N 476.543 5.027 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 1828828569 MAZGUHQTOJLCRN-DENIHFKCSA-N 463.544 5.102 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c(F)c1 1828906914 POQMLFJQIYVZHL-VWLOTQADSA-N 486.704 5.119 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)C/N=C/c4ccco4)CC3)sc2c1 1828998355 AGIKFIBANBRZPP-ZVMZLPNLSA-N 477.630 5.155 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829581491 ASRONRKEJDYRRD-DENIHFKCSA-N 463.647 5.600 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c(F)c1 1829689634 KHXCQQQKSMKVJF-HSZRJFAPSA-N 467.972 5.206 30 20 JKED Cc1cscc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829690074 JGKAFPLFMNOVMB-NRFANRHFSA-N 456.011 5.129 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1829690114 LJDANMFRCQRPAS-NFBKMPQASA-N 454.014 5.191 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1829958431 IFOUZZDBTMMQEV-QHCPKHFHSA-N 471.935 5.037 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c(C)c1 1830693281 AMZVTHWRCDMJES-HHHXNRCGSA-N 487.644 5.050 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830860443 CUDOUYYTKDOGMK-HHHXNRCGSA-N 489.736 5.519 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c12 1830943159 SFCCCNDAKVHOLX-RXFWQSSRSA-N 498.627 5.351 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1831448742 RIHASFXYANLWHV-HSZRJFAPSA-N 478.649 5.449 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1831857327 FQYIMVYXTQASQE-OAQYLSRUSA-N 459.512 5.063 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)Cc1c[nH]c3ccc(OCc4ccccc4)cc13)C2 1844204777 NNRQZAGIAGDQNO-AREMUKBSSA-N 497.639 5.261 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1-c1ccccc1 9334327 RNEZMFSUMXCTKI-QHCPKHFHSA-N 485.569 5.820 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 10170518 YONRDQUJPUWKBJ-UHFFFAOYSA-O 465.642 6.541 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccccc1CC 10174227 CAQRLUHPQUZTAJ-UHFFFAOYSA-O 458.434 6.457 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 14872524 PDWUYYIEROOXOY-UHFFFAOYSA-O 476.456 5.140 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)C(=O)c1ccccc1 18064911 TVDQDYSPKRKTLB-XQNSMLJCSA-N 473.569 5.742 30 20 JKED Cc1cccc(-n2c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2c[nH]c3ccccc23)c1 22117263 WHTPLRZUKPNISJ-HFJWLAOPSA-N 472.618 5.259 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 22732844 JNTSWOFVDMQHRX-UHFFFAOYSA-O 458.072 6.618 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)c1 28649224 FBBJNOPDFBTGTF-UHFFFAOYSA-O 461.607 5.402 30 20 JKED Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 106115801 MVOJSWHGWFKMFA-OALUTQOASA-N 466.545 5.504 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 108469990 MCACZWHILVJTSE-UHFFFAOYSA-N 486.641 5.344 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)cc2)n(C[C@H]2CCCO2)c1=S 109404269 DDHSNYQJAYWKRJ-HSZRJFAPSA-N 465.598 5.139 30 20 JKED C=CCn1c(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)nnc1[C@H]1COc2ccccc2O1 116207334 HXDFXQXNEMPTGV-XMMPIXPASA-N 489.576 5.082 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc2nc(C3CC3)sc2c1 195734098 RDEPXAXAZBXBME-UHFFFAOYSA-N 472.364 5.224 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 303376258 LKALAKJHWQBZKI-UHFFFAOYSA-N 455.436 5.852 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 409799413 WKFAKAAHFQARGJ-RUZDIDTESA-N 471.463 6.091 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)O[C@H](C)C2 409813412 DRAJLHJFNOKDEI-WMTVXVAQSA-N 484.571 5.752 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)cc2F)c1 481044024 RYYPBFIVBCPGNT-HHHXNRCGSA-N 497.501 5.260 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481651906 ASLGXLYKDNRFJD-SFHVURJKSA-N 474.536 5.583 30 20 JKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481716800 YKKWEXHZURUKOL-HSZRJFAPSA-N 459.521 5.524 30 20 JKED COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OCc1ccncc1 497940083 WFGJUEMXWCVMMB-UHFFFAOYSA-N 481.556 5.316 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)c1 498081177 AKBPXUCQNLUGFS-IBGZPJMESA-N 470.598 5.131 30 20 JKED C=CCN(C(=O)c1csc(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498285414 DMCZNLHFKMCZES-UHFFFAOYSA-N 450.339 5.375 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500610373 QNCJDWNSWCDCAI-GDLZYMKVSA-N 491.595 5.007 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)c2)cc1 501418339 DDYIYXVJHGBZMP-UHFFFAOYSA-N 470.529 5.095 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC2CCCC2)nnc1-c1ccc(Cl)cc1 502599386 JSEURQCNOIABPU-UHFFFAOYSA-N 469.010 5.837 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 503596718 SKEZBKDOOAZPGV-JOCHJYFZSA-N 463.940 5.167 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 508248671 JHKRSHKXIHFFQX-INIZCTEOSA-N 477.517 5.268 30 20 JKED N#CCC[C@H](C#N)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1 508377569 TYYVXUFAFRNTGG-LJQANCHMSA-N 456.596 5.709 30 20 JKED C=CCN(C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccccc2)cs1 508902092 WBGRABBDNATVLK-UHFFFAOYSA-N 461.568 5.424 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 508926166 JCVUPQZVCPQIQV-UHFFFAOYSA-N 494.498 6.378 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)c1 509942771 KRHIVXUFROBHIF-FQEVSTJZSA-N 488.563 5.196 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)s2)cc1 510229259 GVAZKMIORIWVCG-GOSISDBHSA-N 455.996 5.724 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)o2)cc1 510267298 FQVFPBCIMUTQJS-UHFFFAOYSA-N 472.526 5.448 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1 510506931 VOUKBLSGKWYANB-UHFFFAOYSA-N 466.632 5.358 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 514357753 JFVSLYZFJSWSFX-IAGOWNOFSA-N 497.020 5.801 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OCC 514502535 ADVFRNIZAFCLJK-MRXNPFEDSA-N 450.564 5.286 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)Nc1cccc(C#N)c1 515486774 CCGJENJAZZLJCF-MOPGFXCFSA-N 453.571 5.545 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 517844521 RSCCCDFFWZVTNA-UHFFFAOYSA-N 478.468 5.288 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1C(F)(F)F 518645416 DBICNUKCMUOANW-UHFFFAOYSA-N 454.417 5.531 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCC#N)CC(C)(C)C)c1 521484766 BWCHOFGMZVREJB-UHFFFAOYSA-N 474.026 5.123 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 521803050 ZYZGCGSHGROZOW-UHFFFAOYSA-N 491.511 5.022 30 20 JKED COc1ccc2ccccc2c1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 522325495 LNJSOVPKFNNUMP-UHFFFAOYSA-N 453.517 5.771 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 523895276 GCQCDHVQLZHZBH-HXUWFJFHSA-N 483.572 5.490 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 524389497 JXGAKAXLBCYCPZ-UHFFFAOYSA-N 473.532 5.553 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)sc2n1 524406569 MJFIYQFGUYTOLV-UHFFFAOYSA-N 488.569 5.166 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1Cl 553214338 OFOQGDYFDXLSKF-OAQYLSRUSA-N 466.372 5.398 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 589382247 NOADHRNZIAGZEU-UHFFFAOYSA-N 469.385 6.117 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 591557840 WGSHZLCFIMZJMD-QHCPKHFHSA-N 493.489 5.009 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C(c1ccccc1)c1ccccc1 603719648 PNUNRLZDIIEQLV-JOCHJYFZSA-N 489.575 5.413 30 20 JKED N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c(-c2ccccc2)n1 603937901 CHGAUYMSKHCDIW-RUZDIDTESA-N 471.923 6.027 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)c2)c1 603995961 UUIYHAUQCSBTOB-UHFFFAOYSA-N 472.451 5.315 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 604077570 GSNVEDOURXDLGO-UHFFFAOYSA-N 464.525 5.879 30 20 JKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604160105 VLTYNRLFZVCVDG-VWLOTQADSA-N 467.956 5.746 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OCc3ccccc3)nc2)c1 604441499 GTBHPOVBALXUQQ-UHFFFAOYSA-N 494.576 5.515 30 20 JKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 608887175 PRJVJRHCNGNNGJ-QFIPXVFZSA-N 499.514 5.034 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CC2 609079054 YRXFIIWGYGSXQJ-UHFFFAOYSA-N 485.584 5.833 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc(C2CC2)no1 609079740 JXVHYKCDGSIUIM-OAQYLSRUSA-N 465.941 5.570 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 609382550 ICWWSEBBVPNPGQ-HNNXBMFYSA-N 457.602 5.053 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccc3c(c2)OCO3)n1 609389292 KLZMEWKCYWFTNK-HNNXBMFYSA-N 483.640 5.662 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 609430757 VVIAPMRBVGWWIO-INIZCTEOSA-N 469.563 5.273 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 613319838 MFNCFFZIWYWSSE-MRXNPFEDSA-N 472.879 6.158 30 20 JKED Cc1cnn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)c1 613344356 JAALMUGKKRHQFZ-GOSISDBHSA-N 453.354 6.101 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cccc(SC)c1 613424957 XZUMQQFRVDCUHK-OAHLLOKOSA-N 475.039 5.538 30 20 JKED C=CCn1c(SCc2csc(-c3ncccn3)n2)nc2sc(-c3ccccc3)cc2c1=O 613899936 CCQXPNGEVVWYGA-UHFFFAOYSA-N 475.624 5.517 30 20 JKED O=C(COc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1ccccc1F 618297002 AIZLWBAGVYFSPS-KBPBESRZSA-N 492.391 5.046 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc12 618297885 NJFJPWMGWOKSSC-ZIAGYGMSSA-N 493.448 5.797 30 20 JKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nc2ccccc2n1C(F)F 618549764 YSAUCVHOHVIOFN-HBNTYKKESA-N 458.353 5.265 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 619342944 NHGAANPLZXGBJF-HOTGVXAUSA-N 463.422 5.095 30 20 JKED C=CCn1c(-c2ccncc2)nn(CNC2(c3ccc(Br)cc3)CCC2)c1=S 725771951 BSRFXLTUZGOUEK-UHFFFAOYSA-N 456.413 5.051 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1sc(-c2ccccc2)nc1C 725922398 HJOULQHAHCTSAK-UHFFFAOYSA-N 487.375 5.274 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccsc2)C1=O 726113084 YCFRJQMYRCVMLR-AQTDBHCXSA-N 499.061 5.176 30 20 JKED N#CC(CCOC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)(c1ccccc1)c1ccccc1 726220625 ZCKXNZLUXWWXRI-UHFFFAOYSA-N 477.520 5.859 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726319667 MRNGEKPLYAKEIQ-SFHVURJKSA-N 465.456 5.943 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)n2ccc(=[N+](C)C)cc2)c1 726572778 NWDAPNQUTLMSSE-UHFFFAOYSA-O 456.635 5.058 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@H](C)c2cccs2)[n+]2ccc3c(c2)CCCC3)C=C1 726576369 CZSLWGTWBLOAST-QGZVFWFLSA-O 478.663 5.247 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)N[C@H](C)c2cccs2)[n+]2ccc3c(c2)CCCC3)N=C1C 726579915 NQWACUVMCSDURA-MRXNPFEDSA-O 480.679 5.471 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc(Cl)nc1)c1ccc2c(c1)OCCO2 727068986 NYQDXOIWKSUDFN-UHFFFAOYSA-N 467.978 5.475 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccc(F)cc2)c1C 727252292 CNSFDKZBTXQFIB-HSZRJFAPSA-N 493.608 5.128 30 20 JKED CC(C)Oc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 727978149 HIFWHLZNDPCEBD-UHFFFAOYSA-N 451.979 6.387 30 20 JKED COc1cc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)cc1Cl 728053222 VOSPLTULFZPOJE-UHFFFAOYSA-N 486.355 5.512 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1OC 728136365 OFUCJKXKHCHMOX-JOCHJYFZSA-N 477.948 5.005 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](c2ccccc2)C2CCC2)cn1 729145181 JKGSZNONTYGOGX-UKILVPOCSA-N 487.629 5.405 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Br)c2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730461746 RTBWJDYBKDRWJX-GOSISDBHSA-N 494.361 5.240 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)O[C@H](C)C2 730473133 FICAVXGSARILNV-JDWKMLRJSA-N 452.554 5.806 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 730942389 ODDDVHRDRLPVBT-BVZFJXPGSA-N 498.583 6.095 30 20 JKED COc1ccc2cc(/C=C/C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2c1 731069287 IURCFDDBNXZEIF-HCWHUNCVSA-N 460.555 5.295 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)c(N)c1 731079577 DXCAXXFXYPPNPL-KRWDZBQOSA-N 461.543 5.108 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)cc(C)c2)c1 731308097 WVMZAUWPAJBRGW-DEOSSOPVSA-N 489.597 5.178 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c1=S 732527363 HNCLHZSTZIFSJR-RUZDIDTESA-N 491.661 5.192 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 744788181 GAMNACFQLJBETJ-UHFFFAOYSA-N 450.542 6.552 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cccs2)cc1 748171251 CNUHJOGKXRMMEK-VWLOTQADSA-N 480.655 5.543 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccccc1SC(F)F 750362988 VDYLKCIHIXQOQH-UHFFFAOYSA-N 473.314 5.056 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 751055938 WKOFQYUAYRSIFA-UHFFFAOYSA-N 462.059 5.467 30 20 JKED N#Cc1ccc(N2CC[C@H](OC(=O)c3c4c(nc5ccccc35)/C(=C/c3ccco3)CC4)C2=O)cc1 812491464 UIWQFGQPNHVRJK-AHNKUGAQSA-N 475.504 5.149 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CCN(C3CC3)CC2)cc1 837836416 SJSNYXVMJCIBLP-HSZRJFAPSA-N 497.064 5.236 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccc(F)cc2)C1=O 838534419 SGXKZYJEJUMXRP-QFIPXVFZSA-N 499.514 5.273 30 20 JKED COc1ccc(-c2noc(CCCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 915104542 HIHZKORMSNQYRN-MRXNPFEDSA-N 486.475 5.573 30 20 JKED COc1ccccc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nccn1C 916227528 BPVUUQCNOVZQKF-WIOPSUGQSA-N 485.975 5.649 30 20 JKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1Br 916310668 CGFNPXHJNZGBKX-UHFFFAOYSA-N 454.349 5.087 30 20 JKED Cc1csc(SCc2c(C(=O)[C@H](C#N)c3ccc4ccccc4n3)oc3ccccc23)n1 916848283 JAWACTUNPBQVCX-GOSISDBHSA-N 455.564 6.528 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1ccc2ccccc2n1 916849280 OAEJDFCGFLJUKA-PXDATVDWSA-N 457.327 5.994 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)C2)cc1 916995718 GKOWGQXGGXLPOV-PXNSSMCTSA-N 498.435 6.154 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2ccncc2)n(-c2ccccc2C)c1=S 917485027 JCLZSCIPVURXFU-UHFFFAOYSA-N 457.603 5.428 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cs1 917560648 UHTBHJCDJHXJHI-UVTDQMKNSA-N 465.937 6.314 30 20 JKED CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2cccc(C(C)C)c2)cc1 917615854 RJFAKQLWLLQQMQ-UHFFFAOYSA-O 476.666 6.368 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2Cl)CC1 917680106 CCSQXOUZSVWRDF-QFIPXVFZSA-N 499.080 5.563 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cccc(C)c2)C1=O 917702335 GISIFWDVGGPKKN-DEOSSOPVSA-N 484.581 5.036 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC(F)(F)F 917707266 VQWQQINIRVEOLX-HXUWFJFHSA-N 482.487 5.234 30 20 JKED C=CCc1cc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc(OC)c1OC 918922043 LULVXBCIMQZJJZ-UHFFFAOYSA-N 466.559 5.239 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccccc3Br)n2)cc1 920139671 XGOOUTVPTUCDQK-INIZCTEOSA-N 473.417 5.940 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920141409 JBGQCODOLXOUCK-FQEVSTJZSA-N 458.543 5.197 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](OCC)C2)ccc1Cl 920225532 BRXRHGWQLMYQDI-SFHVURJKSA-N 497.444 5.016 30 20 JKED Cc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(Br)c1 920806978 VDHITOFZAWIYFA-STQMWFEESA-N 477.330 5.803 30 20 JKED Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(Cl)c1 920893335 VJPQNMMEIHKKIA-GOSISDBHSA-N 464.953 5.226 30 20 JKED C[C@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)N(CCC#N)c1ccc(F)cc1 921388849 SXSZEBZHDODCEZ-JMMZKRSASA-N 466.509 5.445 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1-c1ccc(C)cc1)C2 1779274233 PIRWDNKPCOZJCE-BOBPPRSMSA-N 486.656 5.558 30 20 JKED CCOc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(OC)c3)CCC2)cc1 1785774398 UJIREVLNUQPLJP-UHFFFAOYSA-N 475.570 5.089 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cc(C)cs4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1786487831 KKJBECNTINIRAJ-NRFANRHFSA-N 495.645 5.370 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc4ccccc4c3)CCC2)cc1 1787646253 OPTMDNLFRFJYGI-UHFFFAOYSA-N 460.537 5.563 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1788789482 BEEFMPXBXHGUJU-UHFFFAOYSA-N 499.464 5.608 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)ccc5c4OCO5)cc3)CCC2)c1 1788989332 SSVPBHDKZZSKQX-UHFFFAOYSA-N 473.916 5.002 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccs5)on4)cc3)CCC2)cc1 1789774189 IKQWOVAEFGXRQC-UHFFFAOYSA-N 482.565 5.265 30 20 JKED COC(=O)CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790082489 CUIHBXKJYMZTCP-UHFFFAOYSA-N 481.980 5.083 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1OC 1790278250 UHTWBKKAWCJELZ-LJQANCHMSA-N 483.568 5.392 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1790568242 VFSOYQZLOBBASQ-INIZCTEOSA-N 466.969 5.370 30 20 JKED CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707856 STYVBRRUTBDGIZ-UHFFFAOYSA-N 456.546 5.063 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5nscc45)cc3)CCC2)c(C#N)c1 1790943175 LDWCGOOGABKPMC-UHFFFAOYSA-N 496.592 5.167 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3n[nH]c4cc(Cl)ccc34)CCC2)cc1 1791730635 NOXPJTPSKWGYTF-UHFFFAOYSA-N 462.981 5.087 30 20 JKED COC1(CC(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)CCC1 1792051410 DBAXALJDNHBDCR-UHFFFAOYSA-N 454.687 5.131 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ccnn5c4)CCC3)cc2)c1 1792127175 SADYXQIJAJZYBI-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccoc3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204258 SWQNJLCKZVUOOE-NRFANRHFSA-N 481.593 5.195 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccccc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204476 ATBOVAXKSHGEDO-QHCPKHFHSA-N 477.605 5.294 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)C1 1799319243 RBEPCXNJYJHBIB-WKCHPHFGSA-N 482.983 5.373 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(Cl)c5c(nc4c2)CCCC5)C3)cc1 1799667092 UDHQCOLFAYUHBN-KOUNCHBCSA-N 499.014 5.204 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](F)c4cccc(F)c4)c2)C3)cc1 1800543121 HWUJNUSXBPCEOI-JUDWXZBOSA-N 499.561 5.516 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OCc3ccccc3)c(OC)cc1C)C2 1801640655 QKPBGEVILAFVSU-LSUHJGNXSA-N 476.617 5.047 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)C3)CC2)c1 1804749171 TWKGAPCAGQXLPU-LJQANCHMSA-N 489.019 5.607 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4C[C@@H]4c4ccc(F)cc4)C3)CC2)c1 1805302457 KLYAKCNYVJOIQQ-LIKDZFNVSA-N 473.592 5.101 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H]2CC=C(C)CC2)[C@@H]1c1cccnc1)c1ccccc1 1809483600 HBSWLZGDXOYDCV-WHENYANWSA-N 469.629 5.031 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@H]1c1cccnc1 1810473549 QUXYHQJMOGMQIL-GGPAXRDESA-N 485.603 5.343 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811786718 IHOMYSUOMAHZBS-SBUREZEXSA-N 476.379 5.041 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)c1 1811939638 LMOSKMYGFOWWHM-BDYUSTAISA-N 466.585 5.019 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1812438046 FQDPOJRGTWCZSZ-SLSDLSHTSA-N 480.052 5.463 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1813062266 DQTVDDWZYJZLGJ-WNJJXGMVSA-N 461.650 5.637 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 1813865580 GYDQSAHTYXIACQ-BHAWFMJASA-N 488.591 5.495 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)c(Br)cc3Cl)[nH]n2)C1 1814397254 GKDWIIABGYJDRV-GOSISDBHSA-N 495.780 5.237 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3ccc(C)cc3)n[nH]2)C1 1817741709 SXHPOVCCDGTJJE-QHCPKHFHSA-N 455.562 5.052 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cccnc34)n[nH]2)c1 1818484662 MRDDHFCSXISFTG-KOSHJBKYSA-N 478.556 5.205 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)CC1 1819385364 SSIQMTQYQCQFJO-IRLDBZIGSA-N 454.691 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)[nH]n1 1819557089 XFLPZZDRKLAPHL-GOSISDBHSA-N 458.990 5.370 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1)C(F)(F)F 1821203365 MHTLJEMZNMMGHR-AWEZNQCLSA-N 479.261 5.280 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2O)n[nH]1 1821348312 LAQHVDXCSBGAEU-YADARESESA-N 488.588 5.212 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1)c1ccccc1 1821415647 PIZXPLZVLDLHJG-WNCULLNHSA-N 491.595 5.461 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1)C(F)(F)F 1821611290 KEDCAGAANMAVOL-LJQANCHMSA-N 482.462 5.734 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3cccc(Br)c23)[nH]n1 1821918821 PLLVVGSRMCVACS-YWZLYKJASA-N 498.425 5.101 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1822394706 UXPKKCCDFOQQRH-QFIPXVFZSA-N 469.545 5.260 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1822584480 REGPHDTVUWRONZ-HSZRJFAPSA-N 477.996 5.419 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)c(Cl)c1 1822960916 CGOPVYSANIDLLP-LCSKWRJPSA-N 465.985 5.211 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)cc1 1823277220 QYZZSXJLIOCORR-FQEVSTJZSA-N 483.906 5.027 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Br)cc4)CC3)CC2)C1 1823700029 FBKROWYDPDDJMS-HSZRJFAPSA-N 485.466 5.067 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1823886771 OSTWDXINDKXVAP-LJQANCHMSA-N 469.935 5.142 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)ccc2F)CC1 1823933930 VTZJPQOZBHMAQM-JOCHJYFZSA-N 477.418 5.015 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 1824032270 WMWPEHRGBWBRLV-PKTNWEFCSA-N 487.619 5.053 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCC4)CC2)c1 1824986640 OCYBUVNQDLYEAB-KPURRNSFSA-N 483.656 5.278 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccco2)CC1)c1ccccc1 1825247858 PWZNCYIYDINPNM-KAYWLYCHSA-N 460.618 5.029 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825949960 INGXUJNUUFRMRU-LADGPHEKSA-N 454.655 5.887 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1826310146 JOKLZKNLBIGQCR-WUFINQPMSA-N 471.645 5.304 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1827507114 FNVVGUNYWDENIO-DEOSSOPVSA-N 483.056 5.509 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)c1 1827875071 ADMQOZZPCJYGRN-MHZLTWQESA-N 478.596 5.167 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2cc(OC)ccc2OC)CC1 1828826796 CBASYJBKFGHJPS-RRPNLBNLSA-N 496.692 5.415 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1828827686 RKQXIJGKNQLLGR-DHIUTWEWSA-N 474.686 5.133 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1828828616 NSYHYCFGXPBALW-REWPJTCUSA-N 451.636 5.298 30 20 JKED O=C(C/N=C/c1ccco1)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1828998706 NWJFVISPFOUDAY-AIHMMONASA-N 496.051 5.094 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2Cl)CC1)c1ccccc1 1829030597 VCTQEDMHXVAWOP-UKILVPOCSA-N 478.036 5.166 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CC1 1829565423 VHUSIVPIKVJXST-RUZDIDTESA-N 480.612 5.143 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1830014966 MZFJLZMQCVKYDB-HHHXNRCGSA-N 478.596 5.167 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3oc4ccccc4c3C)CC2)c(C#N)c1 1830288201 KTPVBUUBEKVFJG-AREMUKBSSA-N 499.611 5.098 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830609051 VZNFNYCBPKYHOV-MHZLTWQESA-N 459.634 5.131 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)c1 1830717700 ZCFGPHHFTCEXOB-BWKNWUBXSA-N 494.010 5.314 30 20 JKED COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc(C(F)(F)F)c1 1830802680 NHTBPICLGHQDJK-DEOSSOPVSA-N 499.533 5.133 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831031299 SSGHBKNGYRZULW-MHZLTWQESA-N 488.628 5.053 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cc(Cl)ccc3Cl)CC2)c1 1831240237 VYRSJIKWSKWGHX-QHCPKHFHSA-N 487.431 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCc3cccc(OC)c3C2)CC1 1831299401 HWIRVMXGGQLVOM-WEWMWRJBSA-N 478.677 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1831374406 DHZZMDJCBJJVRZ-QMHKHESXSA-N 489.994 5.612 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)C(F)(F)F 1831453072 KTVSKUAEYOHUED-GOSISDBHSA-N 496.879 5.711 30 20 JKED Cc1cccc2c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)n[nH]c12 1832635034 ZKZOFHGPPXGILD-CPJSRVTESA-N 483.616 5.046 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832710352 CXHKKLGWJCGETG-SFHVURJKSA-N 482.440 5.420 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 9837170 YTZJHXRJHPVFNU-UHFFFAOYSA-N 483.524 5.127 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)c1 10174780 DWSKOKKUBLSDIN-UHFFFAOYSA-O 457.663 6.374 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179689 MFDMJFOPEKUSQK-UHFFFAOYSA-O 461.607 5.284 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Br)cc1 10611593 DFXFURZGVUXLDM-KRWDZBQOSA-N 485.451 5.938 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 11248657 LQYIVKYUMHVAQI-UHFFFAOYSA-O 456.582 5.556 30 20 JKED CC(=O)N(c1nc(COC(=O)CCc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 12957808 VPLBXDJEXGTFBM-UHFFFAOYSA-N 467.978 5.646 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2ccc3c(c2)CCCC3)cc1F 14872485 VLUXQDQEXNDQCQ-UHFFFAOYSA-O 477.581 5.123 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16731886 YBNSAJRVNZLCBC-CYBMUJFWSA-N 472.039 5.457 30 20 JKED COc1ccc(-c2cc(/C(O)=N/c3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)sc2C)cc1 22298317 RDJTUPSRIGUQCX-GJZGRUSLSA-N 457.621 5.434 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)NCCc2ccccc2)cc1 22791043 QLLUMAABLKLFTP-UHFFFAOYSA-O 465.708 6.327 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 22800131 GGAITDBKUYHOIS-UHFFFAOYSA-O 472.993 5.282 30 20 JKED Cc1sc2nc(SCC(=O)N(CCC#N)c3ccccc3)n(C3CCCC3)c(=O)c2c1C 23565599 QSMKQCDRWRLFML-UHFFFAOYSA-N 466.632 5.229 30 20 JKED COc1cc(-c2cc(C(=O)OCc3cccc(C#N)c3)c3ccccc3n2)cc(OC)c1OC 24964786 QQWWPKJYJNRUTE-UHFFFAOYSA-N 454.482 5.156 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)c1C#N 28491478 XKIQSDQMHWKCFS-QGZVFWFLSA-N 471.582 5.327 30 20 JKED C=CCc1ccc(OCC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)c(OC)c1 29702362 IQULWHLXHUMOQZ-HHHXNRCGSA-N 479.598 5.056 30 20 JKED CC(C)n1ncc2c(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc(-c3cccs3)nc21 107831100 YKABHAYHNXEHQV-UHFFFAOYSA-N 483.519 5.817 30 20 JKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCc1cscn1 107877072 VPERVNFXRJBECY-QFIPXVFZSA-N 489.984 6.292 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C)noc2C)c1 109378235 NIXMQICYJBTWFI-UHFFFAOYSA-N 480.373 5.232 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 110600080 QINDVLKBIWZSSU-UHFFFAOYSA-N 459.474 5.089 30 20 JKED C[C@@H]1CCCN(c2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2[N+](=O)[O-])C1 115072294 UNXVKXBJHUCEDR-OAHLLOKOSA-N 494.602 5.099 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 195616986 QBVMVTWEAUTIOI-RUZDIDTESA-N 463.585 5.093 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1[nH]nc(-c2ccccc2)c1Br 195694111 FUEGIIAUQGVXMX-UHFFFAOYSA-N 474.318 5.459 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccccc1F 218653956 ZHYHCUDFTNFVFS-HNNXBMFYSA-N 464.522 5.338 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 409572066 APDAKQIEIZAVCX-UHFFFAOYSA-N 462.363 5.081 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OC 480966022 SFPBWGCCSGPVDK-UHFFFAOYSA-N 450.004 5.245 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccc(Cl)c(Cl)c3)Cc3ccccn3)cc2C1=O 499644658 ZCVCDBBPQCUFAT-UHFFFAOYSA-N 480.351 5.013 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2CC(C)C)c1 500151496 BDGZPCXATLELTC-FQEVSTJZSA-N 461.027 5.372 30 20 JKED C[C@H]1[C@H](C)CCC[C@H]1n1c(SCC(=O)Nc2ccccc2SCC#N)nc2ccccc2c1=O 502127057 SYOWQVQVHDHAKD-KGVIQGDOSA-N 492.670 5.740 30 20 JKED C=CCc1cc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc(OC)c1OC 502712928 OTPLIUPPPSZDEM-UHFFFAOYSA-N 450.922 5.590 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OC 502716871 STGWTHLBNFWAHA-LJQANCHMSA-N 492.457 5.460 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](NC(=O)NCc1ccc(F)cc1)C(C)C 505437491 BZBUNWYBVJZYJJ-AREMUKBSSA-N 488.563 5.047 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 508290770 SWXHOJLVUSONGG-UHFFFAOYSA-N 493.523 5.328 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1NC(=O)c1ccc(Br)cc1 513671550 KIMBQSMYRDDFOF-GOSISDBHSA-N 490.382 6.110 30 20 JKED COc1ccc(C(=O)NCCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 515711146 HEVOWQGYENDHPS-UHFFFAOYSA-N 463.921 5.161 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(C)cc4)c3C(F)(F)F)n2)cc1 516269843 ABRANEKUOXRYLW-GOSISDBHSA-N 482.487 5.822 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OCC 517800738 FUXHYYNWXMEIOB-GOSISDBHSA-N 465.962 6.013 30 20 JKED N#CCCSc1ccccc1NC(=O)CCCCc1ccc(I)cc1 518121923 AEBNPDNAUXCUKN-UHFFFAOYSA-N 464.372 5.648 30 20 JKED Cc1nc(SCC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(C#N)c(C)c1C 518239950 SKOLCBYDUYVLDC-LJQANCHMSA-N 458.587 5.100 30 20 JKED C=CCN(C(=O)Nc1cccc(COc2cccc(F)c2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518752857 ALKVHQFWZFAICP-IBGZPJMESA-N 472.524 5.162 30 20 JKED N#CCCn1cc(C(=O)NCC2(c3ccccc3)CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 518911620 INDIOORTAXXHAF-UHFFFAOYSA-N 457.534 5.004 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1 519102539 ZUXXQULDDJUEHJ-UHFFFAOYSA-N 457.917 5.821 30 20 JKED C=CCN(C(=O)c1cccc(OC2CCCC2)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 519475501 IMVGKLIPOBLJHD-UHFFFAOYSA-N 482.627 5.368 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4ccc(C)cc4C)nc3C)n2)cc1 520164856 WLHVRTVVLQOXAQ-FQEVSTJZSA-N 459.596 6.358 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 520533151 BYVDKQRGSKGLEU-UHFFFAOYSA-N 485.510 5.020 30 20 JKED CC(C)OCc1ccccc1CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 520576133 AWCGJRPIEULBOV-XMMPIXPASA-N 475.976 5.175 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)nnc1-c1ccc(Cl)cc1 520697995 AECHRYSYOLNMQU-RBBKRZOGSA-N 487.000 5.052 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 521797310 NSDQYMOOQQTFHL-UGSOOPFHSA-N 491.400 5.231 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 524566627 XHMVTEBCALONFZ-GOEBONIOSA-N 471.051 6.906 30 20 JKED N#C[C@H](NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3)c1cccc(Cl)c1Cl 524572762 SCXOVMUWRWLTRT-AWEZNQCLSA-N 493.441 5.197 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 524707561 XGDGRRCPZXRQHD-IGKIAQTJSA-N 499.014 5.799 30 20 JKED CCCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1ccccc1Br 553026684 ZIEPBFYFFAILEC-QGZVFWFLSA-N 460.441 5.694 30 20 JKED N#Cc1c(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)sc2c1CCCC2 600840872 AGAZVDMJIMYPLA-UHFFFAOYSA-N 465.575 5.621 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2cccc(Br)c2)o1 603755550 ZOOAWVACJCYXEI-UHFFFAOYSA-N 453.336 5.544 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4[nH]c5c(Br)cccc5c4C3)cn2)c1 604362185 SKYXZNSLRZQMFM-UHFFFAOYSA-N 488.345 5.580 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(CC(=O)NC4CCCC4)CC3)c2)cc1 604406676 WKEHUMBRERDBHE-UHFFFAOYSA-N 474.605 5.024 30 20 JKED CCCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604507439 NTSIVHLGGAHPJF-DEOSSOPVSA-N 475.976 5.381 30 20 JKED CC(C)c1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nn1-c1ccccc1Cl 604524493 HDSRAEGSELRERE-UHFFFAOYSA-N 458.909 5.355 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)c1 608928437 SDZQVJCRGYXMRN-UHFFFAOYSA-N 451.495 5.042 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 609079266 SQYDDKVUEITWPC-SQHAQQRYSA-N 455.558 5.735 30 20 JKED CN(C)CCOc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609079643 FBOXTCDAANTJJC-UHFFFAOYSA-N 478.980 5.053 30 20 JKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OCc1cscn1 609104723 LUEWEKUGOWDXLX-UHFFFAOYSA-N 489.528 5.573 30 20 JKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609203234 VMGZVMPQGZFIFC-HSZRJFAPSA-N 488.415 5.080 30 20 JKED Cc1ccc(-n2nnc(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2C)cc1 609381737 SENSUTUAGXXNKX-UHFFFAOYSA-N 459.497 5.090 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609430042 DAGLEGDXNYCJGV-UHFFFAOYSA-N 464.396 5.926 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cccs2)cc1 609436189 WQZZUXCSDZBZIB-KOSHJBKYSA-N 477.655 5.939 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)sc2n1 613318334 YIAWIHXCRMOSPO-HNNXBMFYSA-N 464.572 5.077 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319209 AJNMMIOIRRCBDW-URXFXBBRSA-N 499.979 5.896 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 616056501 VRTGSDJMBKJOSJ-UHFFFAOYSA-N 469.463 5.142 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)ccc1Cl 619671539 HDRHQONRFQIQEA-UHFFFAOYSA-N 492.004 5.587 30 20 JKED Cc1nn(CC(F)F)c(C)c1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517484 JWCSGQFBWPWURJ-OAHLLOKOSA-N 485.375 5.016 30 20 JKED CN(C)c1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 642511610 TUHYLRQLBLSULA-UWVGGRQHSA-N 465.360 5.802 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)n2C)cc1Cl 726322576 XSUXOHFKRUOWLJ-MRXNPFEDSA-N 486.753 5.078 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(CC[C@@H](C)OC)C1=O 726396264 DKMKTQWNCYAOTQ-QVKFZJNVSA-N 490.025 5.042 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(CC[C@@H](C)OC)C2=O)cc1Cl 726401982 VDCPAXNYRZSZPG-IIBYNOLFSA-N 490.025 5.042 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726402131 VVKSGIIIFNBZJR-AZUAARDMSA-N 463.525 5.170 30 20 JKED COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1NC(C)=O 726428038 CZZSIPRFTSNKPY-UVTDQMKNSA-N 455.489 5.542 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 726525489 CFFGNBLGBVIAFX-UHFFFAOYSA-N 482.471 5.398 30 20 JKED Cc1ccccc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1 726571342 UKZVWZMGUVDBHG-UHFFFAOYSA-O 463.026 6.428 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3cc4c(cc3Br)OCO4)SC2=S)cc1Cl 726627254 PNFYNNVGBMSYMN-AYSLTRBKSA-N 479.764 5.109 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2ccc(C)s2)cc1Cl 726890068 HGKVLQLDVWHXSH-DJJJIMSYSA-N 478.039 5.080 30 20 JKED CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc(OC)c(Cl)c2)cc1 726963134 ZLZJGCIEERXQKB-UHFFFAOYSA-O 499.056 5.906 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(C)cc4)n3)s2)cc1 727974333 JKMSCZLQTIWPGK-ZROIWOOFSA-N 489.622 6.473 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1NC(=O)c1cccs1 728029110 XBZHCSIHVHKALX-UHFFFAOYSA-N 467.550 6.012 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1ccccn1)c1cccs1 728429842 KSHFHMDNLBVDOT-MLTFTUDFSA-N 489.626 5.166 30 20 JKED COc1ccc(NC(=O)[C@@H](OC(=O)CSc2ccc(C#N)cc2)c2ccccc2)cc1Cl 728675518 JWFNOMUUJXKSBM-QHCPKHFHSA-N 466.946 5.236 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728779104 HELMMKPKJXDZDT-FQEVSTJZSA-N 472.973 5.442 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3scnc3C)C2=O)cc1 729146512 RZTQHWJGVAREOU-HXUWFJFHSA-N 480.615 5.011 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c1OC 729428163 AQLUAXGRNMEPDE-CYBMUJFWSA-N 454.857 5.585 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729571088 GPRRRVGEUYSUIC-UHFFFAOYSA-N 476.499 6.367 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\[C@H](C)c1cccs1 729633594 YMSTYVSOHRCKSL-ZMAMKNHISA-N 464.616 5.042 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)c(F)c1 729819287 XWRIVFXVMQGPGB-QFIPXVFZSA-N 494.498 5.136 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 729878924 FYUUBJALSAZAEZ-FTJBHMTQSA-N 471.988 5.982 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc2)cc1 729891798 MYLIPNXCRRUWIK-IFMALSPDSA-N 472.495 5.478 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 730685990 LELBDFBJUIFRDI-HNNXBMFYSA-N 455.461 5.629 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730725378 SEMRWCQVNOPETN-FQEVSTJZSA-N 499.379 5.123 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731305033 FMLKKMNJDJULCW-HNNXBMFYSA-N 492.306 5.222 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCOC1CCCC1 731310580 KXGQQHDHMQBGSU-QHCPKHFHSA-N 495.645 5.319 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc3cccnc23)c(Cl)c1 744997853 WIJYCZPYZCNBRE-NRFANRHFSA-N 493.032 5.305 30 20 JKED CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)CC2 746014564 CDLABNUAZLKOMY-ZROIWOOFSA-N 485.512 5.132 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 746696663 TUDHAGBIGPVINR-HXUWFJFHSA-N 477.989 5.256 30 20 JKED CC(=O)CCc1ccc(OCCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 747029119 ICMHBWIIODCUPJ-GOSISDBHSA-N 454.498 5.255 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCCOC2CCCC2)C1=O)Nc1ccccc1 747044704 WFXVTHXSRUWYIZ-QFIPXVFZSA-N 469.582 5.135 30 20 JKED Cc1ccc(-c2ncc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)c(C)c1 747112433 VVGJUFPHMVDNHJ-KRWDZBQOSA-N 457.527 5.703 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)cc1 747598683 CRZJSZBFNBKIKE-HXUWFJFHSA-N 485.034 5.574 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cscn2)C1=O)Nc1ccccc1 747601101 DYMJGNHORIAPCM-SFHVURJKSA-N 491.425 5.610 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 750706160 QQAOXOQYTARETE-UHFFFAOYSA-N 469.497 5.892 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N([C@@H](C)CCc2ccco2)C1=O 750908471 ANYYVKWONNRERA-FDDCHVKYSA-N 461.587 5.036 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)c3cnn(C(C)C)c3n2)cc1 825868289 BEYXEFRLVSCONZ-UHFFFAOYSA-N 487.947 5.308 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N([C@H](C)c2cccnc2)C1=O 837285162 LJKUBKGHUUWASN-XXBNENTESA-N 488.613 5.429 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 837348595 BLIBHMWBBUTSDC-KSFYIVLOSA-N 495.004 5.465 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(C3CCN(C4CC4)CC3)C2=O)cc1 837709865 UBBHTIYCTPQMOO-HSZRJFAPSA-N 497.064 5.236 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C#N)ccc1Cl 856434029 LXMMLHSCEIJEDT-UHFFFAOYSA-N 486.380 5.499 30 20 JKED CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 912609448 XMBHANHWZPYQAV-SREVYHEPSA-N 480.355 5.503 30 20 JKED O=C1Nc2c(ccc(Cl)c2Cl)C1=NNc1ncnc2scc(-c3ccc(F)cc3)c12 914693792 OQRGJQLIKCWDTI-UHFFFAOYSA-N 458.305 5.573 30 20 JKED N#C[C@@H](C(=O)COCc1nc2ccccc2s1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102747 GEQZXWXHOQAVQZ-NGALLESISA-N 463.628 5.614 30 20 JKED N#C[C@H](C(=O)CCCc1nc(O)c2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1 915104098 KILKWQXZZNBSFO-CQSZACIVSA-N 456.449 5.163 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F 915139425 IWFOXLMNCKUXTO-LBPRGKRZSA-N 494.292 5.147 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc(C(C)=O)cc1)c1ccc2c(c1)OCO2 916120099 OQRNXOBMESCCHU-UHFFFAOYSA-N 460.555 5.586 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 916695135 XZKVFUBPUAXUAL-SHLVRQGHSA-N 483.421 5.031 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2s1 916847938 WROQTPUBNXNZJN-OPAMFIHVSA-N 463.356 6.055 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916886784 JZDKOGGWBJXHEB-NRFANRHFSA-N 486.927 6.195 30 20 JKED Cc1cc(C)n(-c2ccc(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)n1 916904753 DGEHCJTVCFCGIJ-XMMPIXPASA-N 464.525 5.172 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916905480 CTZAHBPXWPQGEO-QHCPKHFHSA-N 457.505 5.164 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(Cl)c1OCC(C)C 916928550 NRVCGFCDTQHHAR-AWEZNQCLSA-N 469.752 5.651 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(C)c1 916945477 BPJVIJHBUXOAIA-SFHVURJKSA-N 488.400 5.020 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975958 GWYKRCBXFLNJHZ-SFHVURJKSA-N 451.935 5.379 30 20 JKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917030671 JWYFYWSMFDXHDI-YBXDBCKMSA-N 486.641 5.845 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2cc(Cl)ccc2s1 917046219 HVBYVMLGKJZESJ-UYAOXDASSA-N 494.403 6.341 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)C(=O)Nc1cccc2ccccc12 917427463 XKMSXBCNJJZECL-QGZVFWFLSA-N 496.411 5.677 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)n2)cc1 917428445 UIJUQOLJUJSARV-IRLDBZIGSA-N 458.587 5.547 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc2cc(C(F)(F)F)ccc2s1 917430734 RSDKCGNTGGYTLN-HIFRSBDPSA-N 490.482 5.575 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NN=C2c3ccccc3-c3ccccc32)cs1 917541223 UEUMIFFYZMNZJC-UHFFFAOYSA-N 456.958 6.333 30 20 JKED Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)CS(=O)(=O)C(C)C)cc3)sc2c1 917559083 FTCAAGJZIFCKSH-UHFFFAOYSA-N 487.672 5.048 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(OCc2ccccn2)c1 918425966 KVWQWTDCPKDNTG-KMRXNPHXSA-N 490.563 5.132 30 20 JKED CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 918456118 PESRMZBIPTXGLW-VWLOTQADSA-N 487.003 5.191 30 20 JKED N#CCOc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 919815242 GEQCYMWCMRGQOP-NRFANRHFSA-N 486.424 5.487 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 920354198 AKYQHILBNWVORP-NRFANRHFSA-N 482.993 5.414 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNc1ccccc1S(=O)(=O)NC(C)(C)C 920378387 UGZNXFCIAKRUSM-UHFFFAOYSA-N 480.421 5.010 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)n(C2CCCC2)c1C 920663201 ORFSGLLHELFSCB-UHFFFAOYSA-N 499.493 5.092 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1csc(-c2ccc(Cl)s2)n1 920675805 DBJMBQYXQZUSIZ-GFCCVEGCSA-N 453.010 5.347 30 20 JKED Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807082 XLGAQLSZDKFAAM-YLJYHZDGSA-N 467.541 5.418 30 20 JKED CCOc1ccccc1Nc1nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c(=S)s1 921188897 QWIFXSATEZEIFL-UHFFFAOYSA-N 479.553 5.710 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1sc2c(c1C#N)CCC2 921226056 UHAPHADMGQKTBX-SNVBAGLBSA-N 492.409 5.723 30 20 JKED C#CCCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)C1 1780104660 ALDRUZQOEQDZMQ-GRKNLSHJSA-N 499.655 5.136 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cccc(C(F)(F)F)c3)CCC2)cc1 1786367631 YTWQXMOVEZHTNQ-UHFFFAOYSA-N 474.523 5.365 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(OC)cc3)cc2)CCC1 1788377902 FGBGMEVSOJWBAQ-FQEVSTJZSA-N 485.584 5.096 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5ccc(Br)cc45)cc3)CCC2)C1 1789026195 OWEDAPUUFFHQTG-UHFFFAOYSA-N 478.390 5.644 30 20 JKED CN(CC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1)C(=O)OC(C)(C)C 1789508768 IVRIINRDXPWXSG-UHFFFAOYSA-N 499.728 5.039 30 20 JKED CC1(C)CCc2cccc(C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)c2O1 1789577666 UXZBIRHJVJVNHB-UXHLAJHPSA-N 485.584 5.250 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(-c6ccccc6)cc45)cc3)CCC2)CC1 1790006902 GYNWDQJDIQPTLN-UHFFFAOYSA-N 475.552 5.281 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC3CCC3)CCC2)cc1 1790472513 GLRZCTJJVJBZIG-QHCPKHFHSA-N 481.637 5.008 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncc(C(F)(F)F)cc3Cl)CCC2)cc1 1790568095 TXLLRESSBNLFIJ-CQSZACIVSA-N 496.917 5.302 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)CCC1 1790611318 JVWGFBWIDGTUSU-UHFFFAOYSA-N 499.007 5.384 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nc(Cl)ccc4F)CCC3)cc2)cc1 1790703535 QVJALMQWBJLDMY-UHFFFAOYSA-N 462.912 5.002 30 20 JKED C[C@H](Sc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790708401 GTQKRZNARFCZQI-IBGZPJMESA-N 470.598 5.076 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)c1 1790772299 HHOZANGHAYXPGY-UHFFFAOYSA-N 494.567 5.470 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CC(F)(F)F)CCC3)cc2)cc(C(F)(F)F)c1 1790784938 CYZOJSNREQNGFR-UHFFFAOYSA-N 469.385 5.277 30 20 JKED CCN(CC)[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@H](C)ON=C(C)C)CCC2)cc1)c1ccccc1 1791126042 NGQXNHLRTXZUHF-OFVILXPXSA-N 478.637 5.005 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791250555 UXZIMQBMIOOUMC-LEWJYISDSA-N 483.653 5.370 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(F)cc45)CCC3)cc2)c1 1792123962 VRDIXWFSGSDSLW-KRWDZBQOSA-N 481.531 5.391 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c[nH]nc45)CCC3)cc2)cc1C#N 1792168581 PUWRXAAEWIEQQG-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2nc(-c3ccccc3)ccc12 1799099741 BKHHISYZMPJBEA-NUNAXRQHSA-N 468.601 5.250 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2[nH]c3ccoc3c2-c2ccccc2)c1Cl 1799115641 RUMSCNQWYVQKLQ-ACDBMABISA-N 498.970 5.519 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc(Br)cc1C 1799429614 MZGLAAFVYMGSKO-MUJYYYPQSA-N 453.446 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1NC(=O)OC(C)(C)C 1800512549 TXCDSIYHOYLFDM-ACDBMABISA-N 469.626 5.278 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1802498064 UCTJZIASDRPXKW-XUZZJYLKSA-N 465.638 5.593 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1804176287 MKMFZUIAHGTMBG-FQRUVTKNSA-N 485.609 5.220 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](CCC)n2cccc2)[C@@H]1c1cccnc1)c1ccccc1 1808341008 CHRGINBIDZMADD-AIQXTLEGSA-N 496.655 5.128 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1810500471 QTOJEFQPQFOGBK-GHTZIAJQSA-N 482.675 5.373 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1810503557 QIUAWUADQFJATJ-UGKGYDQZSA-N 457.977 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810503572 QOCNCGQUCXQLRI-RDGATRHJSA-N 498.067 5.834 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)cn3ccccc23)[C@H]1c1cccnc1 1811342475 LTRNQULIJUVALD-FYBSXPHGSA-N 490.607 5.124 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc(F)cc2)[C@H]1c1cccnc1 1811551447 KRLNYWRMACWYMJ-UFHPHHKVSA-N 498.602 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3[nH]c(C)cc3c2)[C@@H]1c1cccnc1 1812277292 KKNNLGINXGVTMN-RDGATRHJSA-N 458.606 5.183 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)[C@@H]1c1cccnc1 1813060784 JSRUOVWOLWUABO-WIIGKZCBSA-N 490.692 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813956683 RRFYGSVWQHVIBJ-NHKHRBQYSA-N 479.624 5.837 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[nH]n2)C1 1814397350 NTPRVTZMAVRZET-FQEVSTJZSA-N 473.404 5.407 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)[nH]n1 1814442724 SDLOJUXIJKKENH-QGZVFWFLSA-N 463.504 5.122 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)[nH]n1 1814828542 FABSKIWNRHTSHA-HXUWFJFHSA-N 466.973 5.014 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1)c1ccc(O)cc1 1815022427 DMRHKFNPLFOORH-NZQKXSOJSA-N 498.574 5.130 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1816336488 ZXOOXYBLTLPSBV-HSZRJFAPSA-N 494.555 5.059 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817740286 YVDKYAFVAGDTKG-RUZDIDTESA-N 469.589 5.280 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(-c3ccccc3)c3ncccc23)n[nH]1 1817797063 VVLISHRTXZITGR-NTKDMRAZSA-N 482.588 5.267 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3csc4c3CCCO4)n[nH]2)c1 1817801817 OODACNUJWPNNET-OPAMFIHVSA-N 489.601 5.043 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)c2c1 1819059791 LAIORCAOHKSFNP-SSOJOUAXSA-N 496.571 5.146 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1819386638 FOSWJQMXQYIRMZ-ADYITMSISA-N 468.718 5.279 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1)c1ccccc1 1819518774 DJSWNJHZHKHVEG-RPLLCQBOSA-N 491.595 5.461 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)[nH]n1 1819554602 KFTHUQWGQYSNMX-QHCPKHFHSA-N 475.593 5.270 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1 1820910176 CXAJXSJZFLHYCM-PZJWPPBQSA-N 487.645 5.008 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c(F)c1 1821181118 GGROOUHKSHSMBN-XMMPIXPASA-N 489.551 5.022 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CC1 1821310766 NLUYKSAKIDEPKN-QLVMHMETSA-N 487.526 5.432 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc3ccc(Br)cc23)n[nH]1 1821382634 TUJBLMAHKNKONZ-BTYIYWSLSA-N 496.409 5.239 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1)C(F)(F)F 1821993767 MDMCOMLTLWAPAN-KRWDZBQOSA-N 489.325 5.460 30 20 JKED COc1cccc(/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1822131448 HCJIJUYBTWNVRH-QLPRGREVSA-N 483.572 5.065 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)n[nH]2)C1 1822281753 LNKGPBHHKKBTTH-FQEVSTJZSA-N 473.404 5.407 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823210527 CUVXWQROHBVBRS-IERDGZPVSA-N 476.968 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)cc2Cl)n[nH]1 1823248210 UAMRKCPNERTMRZ-FQEVSTJZSA-N 458.990 5.370 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)ccn1 1823682071 QNCFRCAXQFNVRF-SANMLTNESA-N 486.660 5.117 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1 1823683221 JBBKMECSDZIQSZ-RUZDIDTESA-N 481.999 5.217 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1823925342 RYJSNOAPXADGHK-UQBPGWFLSA-N 477.580 5.008 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 1824960863 YXFMTGCCNZSQNA-JOCHJYFZSA-N 494.623 5.276 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826440167 BXSXFROTZMDGTB-HXUWFJFHSA-N 489.390 5.203 30 20 JKED CNc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1826854125 RNRXNNVYOSXOAM-XMMPIXPASA-N 498.549 5.166 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1827732335 ODYIJOYSCCTLNJ-QHCPKHFHSA-N 467.009 5.800 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnn3-c3ccccc3)CC2)c1 1827971230 USIDVUWVMVVWJC-AMGIVPHBSA-N 495.627 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c1 1828010794 CYVNLZDRURURCR-ZTOMLWHTSA-N 479.624 6.014 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c1 1828130419 TUAQJJHSGOAOPT-DEOSSOPVSA-N 486.641 5.034 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccc(C)c4[nH]3)CC2)c1 1828549569 MSDHFHHWTNJZSY-AREMUKBSSA-N 468.601 5.204 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCCC)cc2)CC1 1828827239 KOHFSHSCELFEOL-FTJBHMTQSA-N 452.639 5.477 30 20 JKED CCCCCc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)cc1 1828998526 JXDZSPHYKZDAKX-KAUHDDEISA-N 491.676 5.294 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)Cc3ccccc3)CC2)c1 1829676189 UGHQYVMNRZKOPW-HHHXNRCGSA-N 487.644 5.069 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2F)CC1)c1ccc(O)cc1 1829889732 ZBSRDQBFHJQOKU-WXVAWEFUSA-N 494.582 5.101 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830718663 KARQFLOPGAOFFS-RUZDIDTESA-N 479.621 5.031 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830774571 JGROSDATWWTMBZ-RUZDIDTESA-N 456.602 5.040 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1)C(F)(F)F 1831226799 ZXBQSLYLPMPBNC-QUCCMNQESA-N 468.947 5.108 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)CC1 1831293675 NEOCSBJBVIMNSJ-ZEQRLZLVSA-N 473.057 5.279 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1831845001 NNSGWGZCZZMKSM-HRAATJIYSA-N 489.479 5.154 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1831858047 CCNBORGFRYPRFL-HSZRJFAPSA-N 461.631 5.706 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2F)CC1)c1ccc(O)cc1 1831924640 SWZOJHLUPQBSKB-WXVAWEFUSA-N 494.582 5.101 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1)c1ccc(O)cc1 1831925476 FAVNPYIOEPRABK-AMGIVPHBSA-N 494.582 5.101 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1832033738 APIZYMCVXGPTSX-AREMUKBSSA-N 468.707 5.432 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1832043230 LTPGOHAJHIJAKT-AREMUKBSSA-N 475.658 5.065 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1 1832091195 LOXFZMVWQCIUPG-VWLOTQADSA-N 453.671 5.243 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)c1Cl 1832563648 DZJXSWVKWHBYHL-SQEMJAKJSA-N 490.431 5.247 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)c1 1832627643 GNPFMPCZMLMUNE-SBUREZEXSA-N 499.442 5.563 30 20 JKED C[C@H](Cc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634739 VOKVZSREXIJRTO-AWVRMFGXSA-N 471.645 5.426 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ncc[nH]4)cc3)CC2)c1 1832635809 SVUQYPGDLDEMFS-JIPXPUAJSA-N 495.627 5.251 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)C1 1845638239 SACVHALRAFXELY-UHFFFAOYSA-N 492.845 5.393 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1847264076 FXJSJDXLNJXJAB-VXKWHMMOSA-N 461.631 5.704 30 20 JKED N#Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)c1 9570905 VDDYPJUIMZCFFN-UHFFFAOYSA-N 459.962 5.114 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10170953 TZHYSZKYFYRUKD-UHFFFAOYSA-O 488.032 7.033 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172823 XUQUSQQTRMXYDV-UHFFFAOYSA-O 463.476 5.467 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(Cl)c(Cl)c1 11158725 FDVGCKHOBAYPHW-UHFFFAOYSA-O 489.448 6.042 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2ccccc2)nc2scc(-c3cccs3)c2c1=O 11381934 INOFDACYQLJFQF-OAHLLOKOSA-N 467.641 5.170 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 20888008 SCIGTGHINUNDMN-UHFFFAOYSA-O 486.488 7.246 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)OCC(=O)Nc3ccccc3SCC#N)cccc2c1=O 21176645 POAYOEPQGRJWBB-UHFFFAOYSA-N 484.533 5.180 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Br)cc1 22217554 BCMDBHBDEIEXAL-UHFFFAOYSA-N 488.798 5.149 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccccc1 23413704 RPYGWDPHQPBSMS-GOSISDBHSA-N 461.616 5.086 30 20 JKED C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)Nc1sc2c(c1C#N)CCC2 23500873 PYPZPELQAAZNBA-SNVBAGLBSA-N 479.077 5.858 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc(Cl)cc1Cl 26930891 USNBZVNGJIEYAV-UHFFFAOYSA-N 485.343 5.770 30 20 JKED Cc1nc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)ccc1C#N 28979547 GQKBKMNLHFFNQM-UHFFFAOYSA-N 470.398 5.599 30 20 JKED CCOC(=O)CSc1nnc(/N=C(\O)c2sc(-c3ccccc3)nc2-c2ccccc2)s1 29475195 GKYJDXFFFQOLJN-UHFFFAOYSA-N 482.612 5.620 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 31222842 QSEAAHTYORLAJR-INIZCTEOSA-N 481.799 5.105 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 60019263 NVWKNLHBMYQOLL-UHFFFAOYSA-N 463.002 5.841 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CSc3nccn3C)o2)cc1 60354640 YXPCOLHGJSRABB-UHFFFAOYSA-N 460.515 5.230 30 20 JKED C=CCn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1-c1ccoc1C 68738100 MWKWAQGAACPGJH-UHFFFAOYSA-N 464.370 5.199 30 20 JKED COc1ccc(-c2nc(S[C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)nc(O)c2C#N)cc1 71858355 HFVSZIYOGNCXEG-GFCCVEGCSA-N 499.474 5.652 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 72025248 HMJSMYNDQJLIBC-UHFFFAOYSA-N 452.514 5.014 30 20 JKED N#Cc1cc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)ccc1OCC(F)(F)F 108602324 HYVFCKYKUYMRJQ-UHFFFAOYSA-N 482.487 5.692 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc2ccccc2n1C(F)F 195652868 FHWJPTJJZQDFJX-CQSZACIVSA-N 485.288 5.658 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 218649835 YNAWAPAWXNNUEW-MRXNPFEDSA-N 471.611 5.475 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1 255465112 WMJFAIAARIOASI-JOCHJYFZSA-N 480.540 5.137 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ncc(Cc5ccc(C#N)cc5)s4)CC3)c2c1C 487422061 WSLSTXHCPZSNNI-UHFFFAOYSA-N 488.642 5.082 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 501018788 GSKBTMRNLYPMNX-UHFFFAOYSA-N 492.564 5.119 30 20 JKED C=CCn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1[C@H]1COc2ccccc2O1 501113111 RXZFROVOCBUALU-HSZRJFAPSA-N 459.575 5.071 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 501158614 FJBFZLVVRQRZKI-VWLOTQADSA-N 477.967 5.647 30 20 JKED CCc1ccc(OCc2nnc(SCC(=O)c3ccc(C#N)cc3)n2Cc2ccccc2)cc1 503660573 WZIWKOIFLAPUSA-UHFFFAOYSA-N 468.582 5.314 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cc(Br)cs2)cc1 508254230 VKXROIWHWLIOTE-UHFFFAOYSA-N 458.337 5.505 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c1 509229088 YVMZRPHROAMRDI-NRFANRHFSA-N 470.573 5.578 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2nc3ccccc3s2)CC1 510920149 VIIQLTSJQDMDMR-UHFFFAOYSA-N 468.582 6.680 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 512225747 GGZSQXHZQSYPAU-UHFFFAOYSA-N 475.504 5.926 30 20 JKED CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 513983891 VWNHFMRHFQALSV-MBSDFSHPSA-N 467.013 5.400 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 515702983 FMAVDFAEOBNUGG-ZDUSSCGKSA-N 457.315 5.392 30 20 JKED COc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cs2)cc1OC 516522999 CYMQHEBBVPCZPL-UHFFFAOYSA-N 487.556 5.681 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517176422 ZELGYWRTVDMTNT-OAQYLSRUSA-N 486.786 5.899 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 517507276 MPMSIIRSISIWSR-QGZVFWFLSA-N 481.021 5.676 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 517891481 MZSGXEAVFFYAPK-KRWDZBQOSA-N 466.975 5.693 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(COc3ccccc3Br)cc2)n1 517915625 KETKXFRRVAIEOG-MRXNPFEDSA-N 485.359 5.151 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2nccn2C)cc1 518259269 HLYVDDJDMKZXIY-DEOSSOPVSA-N 453.502 5.004 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 518259466 MDVMBMSRVVVLOV-JOCHJYFZSA-N 482.588 5.639 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 518673780 HHXXIQVDRHCWFQ-UHFFFAOYSA-N 498.652 5.210 30 20 JKED Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1 519424932 MKRJYAOIXSOIIK-GOSISDBHSA-N 465.600 5.300 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc(F)c(F)c(F)c1F 520448221 VCUQKFYANHRQTA-UHFFFAOYSA-N 470.344 6.075 30 20 JKED N#CCCSc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 521716273 NEJRAWFTQDTIPE-UHFFFAOYSA-N 450.947 5.594 30 20 JKED N#C[C@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nnc(N2CCOCC2)n1-c1ccccc1 521890129 HLYQUKRUKRUUOH-QGZVFWFLSA-N 498.395 5.115 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 524181457 FEVCRFMEHWMISD-XMMPIXPASA-N 453.542 5.010 30 20 JKED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 524701931 CZNFEJXQEFAEEE-DEOSSOPVSA-N 485.385 5.173 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1ccc2ccccc2n1 591862045 KMZQTOBHWYFALA-QFIPXVFZSA-N 457.489 5.711 30 20 JKED CC(C)CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 598506203 OIDDXCVCJZRWRL-QLSBTUPBSA-N 483.682 5.315 30 20 JKED CC(C)CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(C#N)cc1 603529009 NGZXJGPGRIIJRC-UHFFFAOYSA-N 471.586 5.239 30 20 JKED CCOc1ccc([C@H](C)NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1OC 603904396 GCQNEGILZDRYPK-INIZCTEOSA-N 477.586 5.079 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2Cl)cc1 604088214 LKQHPBLJGGTIMA-IBGZPJMESA-N 474.948 5.887 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cc(F)c(Cl)cc1Cl 604133469 YSCDSNBSIHGFIR-LBPRGKRZSA-N 473.291 5.007 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1 604472296 TVOLWWKSFPNOTN-RUZDIDTESA-N 455.627 5.493 30 20 JKED Cc1ccc(-c2ncc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)s2)c(C)c1 604508828 KBKPUENQESKMHX-UHFFFAOYSA-N 463.613 5.695 30 20 JKED COc1ccc(C)cc1CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 604562038 XJPOXVJSLBGRKK-UHFFFAOYSA-N 486.572 5.026 30 20 JKED N#CCC[C@@H](C#N)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 608846050 SMEUAOALJFLIIC-IBGZPJMESA-N 452.539 5.714 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](NC(=O)CC(C)C)c2ccccc2)cc1 608960736 XSKHGFCJXAFICK-AREMUKBSSA-N 457.530 5.201 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 609061857 ZSTKIPZDNBVIST-UHFFFAOYSA-N 466.541 5.442 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 609079419 BNVIGVGKHNJFPR-VWLOTQADSA-N 479.939 5.844 30 20 JKED Cc1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1-c1c(Cl)cccc1Cl 609115912 GWXAVJMMIGJENX-UHFFFAOYSA-N 492.366 5.780 30 20 JKED COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c([N+](=O)[O-])cc1OC(F)F 609378467 JYTQKVADDBRPGC-UHFFFAOYSA-N 491.394 5.482 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(NC(=O)C3CC3)ccc2C)nnc1-c1ccc(Cl)cc1 611871928 HDGLHMZHGDKNMO-UHFFFAOYSA-N 482.009 5.172 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)[n+]2ccccc2CC)c1 726572793 OYBVCOCATDHBSN-UHFFFAOYSA-O 455.628 6.364 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 726733260 TWKFPHUHZZJAKU-MRXNPFEDSA-N 456.926 5.794 30 20 JKED CCOc1cc(/C=C/C(=O)c2sc(/C=C/c3ccc(O)c(OCC)c3)nc2C)ccc1O 726847487 BHPRWWRBBPIMEL-QHKWOANTSA-N 451.544 5.727 30 20 JKED N#Cc1ccc(NC(=S)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)cc1Cl 727282592 KFSJENXKLWMFEK-UHFFFAOYSA-N 456.015 5.225 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c(C)c1 727649759 DFLFCBWWQVSVJQ-RUZDIDTESA-N 498.608 5.366 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1nc2ccccc2n1C(F)F 728766093 XLWMMRWFZDZQRT-ZDUSSCGKSA-N 470.530 5.055 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c(C)c1 728778960 WCRXUTYZRVYCIH-OAQYLSRUSA-N 452.555 5.097 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c1 728779818 LYNJTVSCZRNNEJ-QFIPXVFZSA-N 466.582 5.603 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2scnc2C)cc1 729146572 TZONVPFXVQDPBR-OAQYLSRUSA-N 494.642 5.319 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)cc1Cl 729630879 BPHDYEHJAXTSHF-QFIPXVFZSA-N 495.004 5.213 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(C)c2)c1 729669304 WJCCKLYVMZVKMQ-UHFFFAOYSA-O 487.557 5.505 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1cc(Cl)cc(Cl)c1 730686101 DCJVBLLUKYIJJA-CQSZACIVSA-N 486.302 5.902 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(Cl)cc2)o1 730717165 GHTFNJYGOLFQJU-HEFCMCLBSA-N 495.992 5.007 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(Cl)cc2)s1 730717218 HKFISENNWYYLHH-KSSFIOAISA-N 486.022 5.221 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2Cl)o1 731063216 KKJPPHDVESZIGP-HNNXBMFYSA-N 454.935 5.647 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 731109403 XAYLBSJMHHDBDN-SANMLTNESA-N 475.520 5.476 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731304245 NAYCYPHSGOIKSI-IBGZPJMESA-N 489.475 5.165 30 20 JKED Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc23)n(CCC#N)n1 743870102 FPRKAKFTDQMNOS-UHFFFAOYSA-N 460.335 5.335 30 20 JKED Cc1ccccc1-n1c(-c2ccncc2)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S 746032803 KKTPTMAITDIOHK-UHFFFAOYSA-N 454.603 5.513 30 20 JKED CCCN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747000671 YXSLMZNUYPYNKZ-QHCPKHFHSA-N 490.401 5.482 30 20 JKED COc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1OCCCC#N 747361861 ZGQDAOFHKNTIDG-HEHNFIMWSA-N 454.551 6.411 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccccc1Cl 748482710 NGOVNQONMVYVSE-ZDUSSCGKSA-N 476.751 5.312 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCO[C@@H](c3cccc(Br)c3)C2)c1=S 748797453 NHYQWICQDTXWAA-HXUWFJFHSA-N 489.414 5.200 30 20 JKED CCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 750917855 YHIDWDPHXPVZCY-GQCTYLIASA-N 475.385 5.144 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1 792418809 HEEBKPGPLLAZOE-UHFFFAOYSA-N 483.977 5.274 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CC(F)(F)F 799211512 BGJUADJXHAVGAJ-INIZCTEOSA-N 455.889 5.171 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccc(C3SCCS3)cc2)ccc1Cl 800787424 BZHFUJDWZACCBQ-UHFFFAOYSA-N 461.008 5.231 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4nc5ccccc5n4C(F)F)c23)cc1 812437119 RKZDVAMONSXVPV-UHFFFAOYSA-N 464.501 5.948 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 914541498 VDKRVTRFEGAERI-LJQANCHMSA-N 471.554 5.495 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 914551555 GYPFDZKETSOPOO-QFIPXVFZSA-N 492.576 5.007 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@H](C)Cc2ccco2)C1=O 914690253 OOMPEWNEBURNSJ-QRQCRPRQSA-N 499.539 5.158 30 20 JKED Cc1nnc(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1Cc1ccccc1 915087110 QHSNUPSDESAHQH-XMMPIXPASA-N 453.571 5.021 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1sc(Oc2ccccc2)nc1Cl)CCCCC3 915943519 GCSPCRKGTFDEMB-UHFFFAOYSA-N 471.007 5.820 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(F)c(Cl)c1 916206585 ZTNVVLOEHDSLOC-QGZVFWFLSA-N 496.789 5.388 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(OC)c1 916206616 QBRZKRQGEPLUNL-FQEVSTJZSA-N 493.551 5.865 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C[C@@H]2CCCO2)C1=O)Nc1ccc2ccccc2c1 916208362 AEHAUACDSSTSHN-REWPJTCUSA-N 477.561 5.118 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C[C@H]2CCCO2)cc1 916212655 OYIPHRGUNAWICF-ZJSXRUAMSA-N 473.598 5.288 30 20 JKED Cc1ccc(C)c(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)c1 916232919 QEZLNWCLADISTL-INIZCTEOSA-N 455.889 5.224 30 20 JKED O=C(/C=C\c1cnc2ccccc2n1)C(c1nc2ccccc2s1)c1nc2ccccc2s1 916845352 UADRLCBHKBTFTF-YPKPFQOOSA-N 464.575 6.264 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@H](C#N)c1ccc2ccccc2n1 916849673 XQOOSCPGBAGGIA-VQIMIIECSA-N 496.617 6.110 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1nc(C)nc2sc(C)c(C)c12 916906861 KIIWKFLKNJLDTP-SFHVURJKSA-N 466.632 5.181 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944551 HNWUKZVVHFALET-CQSZACIVSA-N 452.363 5.309 30 20 JKED N#C[C@H](C(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1nc(-c2ccc(Cl)cc2)cs1 916976945 YAMAJOZKPGTIRO-WWEVIYMKSA-N 498.004 5.370 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)[nH]n2)c1 917254332 NDROFFHUDUFMME-UHFFFAOYSA-N 498.914 5.024 30 20 JKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1Br 917559513 KUNIBUJKZXZVDM-YFHOEESVSA-N 471.376 5.803 30 20 JKED COc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)cc1Cl 917612548 XZGLSTXRTAIFTQ-UHFFFAOYSA-O 479.025 6.129 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@@H]3CC(=O)N(c4ccc5ccccc5c4)C3=O)c2)cc1 917633087 HNHDORLQQVSPQP-HHHXNRCGSA-N 461.521 5.229 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCO[C@@H]2CCCC[C@H]2C)C1=O 917675508 MCTZBNCIGNZCEO-CKUXNOBLSA-N 495.645 5.251 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 917700257 JUWZBJGXZFIDRZ-LJQANCHMSA-N 475.467 5.502 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1Cc1ccco1 917702715 IDVXYOUWPFKBLD-IBGZPJMESA-N 499.379 5.619 30 20 JKED COc1ccccc1OCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918052858 WLZMHILGLYFNKZ-UHFFFAOYSA-N 451.910 5.555 30 20 JKED C[C@H](c1nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=S)n1-c1ccc(F)cc1)N(C)C 918734205 WLLYWYYXXBIINN-MGPQQGTHSA-N 499.500 5.185 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 920144008 VWQWWIKPPKAXMX-MLGOLLRUSA-N 491.794 5.878 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccc(F)c(F)c2)C1=O)NC1CC1 920351629 CXDHXGWWKBEUDE-GOSISDBHSA-N 497.539 5.080 30 20 JKED C=CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)SC1=S 920397355 LRVWULKZVDJNIW-OQLLNIDSSA-N 469.535 5.234 30 20 JKED N#C[C@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 920806006 HTLASRHDMCRJOM-CQSZACIVSA-N 471.485 5.753 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 920807202 ZUHWNVKCVZFWSX-GUYCJALGSA-N 457.527 5.021 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3I)cc2)cc1 921010448 OUOMVMCOEGTUNC-UHFFFAOYSA-N 485.237 5.116 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1sc2c(c1C#N)CCC2 921226050 UHAPHADMGQKTBX-JTQLQIEISA-N 492.409 5.723 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2cccc(F)c2)C1 1777776193 VABCAVSRFHDYPD-FUFSCUOVSA-N 493.623 5.008 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-n5cccn5)cc4Cl)CCC3)cc2)C1 1785808146 SKWPXNKEDWMFQH-UHFFFAOYSA-N 460.965 5.240 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3scnc3C)cc2)CCC1)c1ccc(O)cc1 1787424577 FKVXFLFHBOZGEQ-FQEVSTJZSA-N 473.598 5.102 30 20 JKED CC(C)N[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1)C(C)C 1788126818 KAITXPKEJBKWJK-NBGIEHNGSA-N 460.622 5.084 30 20 JKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)/C=C/C(=O)c5cccs5)cc4)CCC3)ccc2n1 1788649466 JTJPCZKOSFUYKU-BUHFOSPRSA-N 495.604 5.792 30 20 JKED Cc1ccc(OCC(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cc1 1788649566 SFBLVIZODLRDPA-BUHFOSPRSA-N 474.582 5.009 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)c4ccccc4n3)cc2)CCC1 1789021322 UIUYAPYGWXBVRP-LJQANCHMSA-N 458.562 5.092 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)ccc1F 1789370030 BPORLLCNQUQZJV-UHFFFAOYSA-N 472.545 5.231 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454486 ZKIWRWSGDUFBLK-NFBKMPQASA-N 481.637 5.146 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)CCC2)cc1)c1ccccc1 1789600553 MWSAHSCDWCTEOW-CXSMSNRLSA-N 456.611 5.193 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(OC)c4)cc3)CCC2)cc1 1790072562 CNHRPHLXNQCOLC-SVBPBHIXSA-N 495.579 5.127 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4ccc(F)c(F)c4)CCC3)cc2)c1 1790144595 WVZIOJNOPDWUCA-UHFFFAOYSA-N 497.505 5.288 30 20 JKED CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1790472027 FCVAVRKSHKUGNH-FQEVSTJZSA-N 496.652 5.098 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)ccn1 1790745381 MVOWQQJSGLHCLQ-UHFFFAOYSA-N 489.373 5.086 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccc(Cl)cc5c4)cc3)CCC2)c1 1790870952 LWVARWFJEKPYJZ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1 1791254516 RBUKJXXKSPIRAN-HXUWFJFHSA-N 467.569 5.521 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cn1 1792123371 WROYMEVDPGLKDG-HXUWFJFHSA-N 482.584 5.098 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@](C)(OC)c3cccc4ccccc34)CCC2)cc1 1792263376 JIPPQJUJEUXTDB-NDEPHWFRSA-N 454.570 5.249 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c3ccccc3c1)C2 1793048963 FNMIOILIITXZBZ-KOUNCHBCSA-N 481.434 5.623 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(OC(F)(F)F)cc1 1795831357 CQVIYBGBXDPENN-GKRLLLFMSA-N 462.512 5.005 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1 1802389798 POOVESKIPFWVAR-UFHPHHKVSA-N 498.627 5.105 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1802498427 VPNUNTIHMDOTLI-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED CC(C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1803218622 SJADBEFABQGDRS-LOAGWBBBSA-N 494.639 5.032 30 20 JKED CC[C@H](C)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1803369156 XEKGBBRCQAMJFI-PMEHDDBTSA-N 479.624 5.237 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)C1 1805456425 WRUHOWVDCSAZEZ-UHFFFAOYSA-N 450.410 5.002 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Br)cs2)[C@@H]1c1cccnc1 1808472957 ZFRPIDMDSILCQU-PXNSSMCTSA-N 490.467 5.218 30 20 JKED CC(C)(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)s1 1808802394 LMNSRNBGKZOLRK-NTKDMRAZSA-N 490.604 5.085 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809209701 LMZZTLZJNJFLNL-HTAPYJJXSA-N 486.062 5.189 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1809213722 BOGAMHWTKSQJDD-QDPGVEIFSA-N 498.671 5.613 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810176035 YQOHKFWZHOILRG-DGWZTRNLSA-N 477.674 5.265 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)[C@@H]1c1cccnc1)c1ccccc1 1810447998 QNUQMJJFKRMVPC-MHTMXISKSA-N 469.629 5.031 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1811796211 NFVUTWRTNLEZTE-JDXGNMNLSA-N 494.639 5.248 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1812682327 OAAXDFUPLHPZTK-UKILVPOCSA-N 487.566 5.181 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1813227855 YPLGWPYPSTVKQQ-YADARESESA-N 480.033 5.463 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)cc12 1814380143 BJGHONKLJMCHDX-VWLOTQADSA-N 480.572 5.010 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(F)c(F)cc4nc3Cl)[nH]n2)C1 1814397031 PQLLANZEGABSQO-HXUWFJFHSA-N 485.922 5.162 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)[nH]n1 1814444184 WVYUMUSNIQHCFN-SIKLNZKXSA-N 452.599 5.252 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2ccc(OC)cc2)n[nH]1 1814735072 YAJOIUGURFYCQD-AVRDEDQJSA-N 452.599 5.207 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1)c1ccccc1 1814931364 IUOBQOZDCSENBA-AHWVRZQESA-N 469.589 5.221 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1818116078 UOYRZHMBAWIXAP-LFAOLKIESA-N 496.639 5.492 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818210958 UUHFETRZZJSXEU-WMLDXEAASA-N 450.461 5.096 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)cc1 1818450857 MZODUBTWZJLJGU-SANMLTNESA-N 477.568 5.373 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc(OC)ccc3n2)n[nH]1 1818666400 MHSULKSFIVJEKM-HYBUGGRVSA-N 473.577 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)[nH]n1 1819302377 DKCCOAMXANQCFV-UTKZUKDTSA-N 474.964 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)cs2)[nH]n1 1819306119 XDLLJVOWDFMYKJ-RDJZCZTQSA-N 477.428 5.308 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)[nH]n1 1819310197 UAQWLDNOMSGICB-CWDLOFLHSA-N 477.653 5.253 30 20 JKED Cn1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)cc2ccccc21 1819385472 VPGSFSAKVSUQQW-HSZRJFAPSA-N 489.696 5.258 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncccc2SCC)[nH]n1 1819555671 UTZIEENIWAQHCW-GOSISDBHSA-N 455.628 5.215 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3sccc3Cl)n[nH]2)c1 1819958973 LEJJERXXXBIOJV-LIRRHRJNSA-N 467.982 5.371 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820238238 IYPIDSOLGWJSRJ-KOSHJBKYSA-N 491.567 5.323 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)o3)[nH]n2)cc(C(F)(F)F)c1 1821310357 QQNKWAACLRLNNT-MRXNPFEDSA-N 491.857 5.166 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCNc3ccc(C)cc3C)[nH]n2)c1 1821324921 MCALICVIEHCJAA-RUZDIDTESA-N 484.604 5.015 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@H](C)c3ccccc3)[nH]n2)c1 1821326518 YXSFOBICDLQHGT-YADARESESA-N 455.562 5.090 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2)n[nH]1 1823268833 CZQIGWRLJFEDTC-UPVQGACJSA-N 462.594 5.273 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[nH]n1 1823422323 CURAXQQPOLKQKJ-HSZRJFAPSA-N 490.007 5.209 30 20 JKED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1ccccc1 1823494346 NNMJPEZXFQOCCS-IERDGZPVSA-N 461.953 5.044 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C#N)CC1)c1ccc(Cl)cc1 1823887847 POPQGDVMLAQNCA-DHIUTWEWSA-N 458.046 5.249 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824224055 IYYLLHYSVVTUCH-SANMLTNESA-N 479.665 5.331 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc5ccoc45)sc3C2)c1 1824259817 YJGWDUVBZPLVKD-KXBFYZLASA-N 470.554 5.056 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3cccc4ccccc34)CC2)cc1 1824957033 MKFDHEIEVSZDSH-NDEPHWFRSA-N 495.623 5.218 30 20 JKED CC(C)(C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1826337682 BAAFHBQTPHLSLT-NRFANRHFSA-N 463.544 5.247 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1826694748 QEDGKRXQDLXQSU-QHCPKHFHSA-N 456.030 5.075 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)c1 1828460338 RGBPEGYURLBJBP-FDBFMKMFSA-N 461.650 5.398 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1828823800 BIBKWAMKSYENLG-SHQCIBLASA-N 490.648 5.087 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1828828946 VEJNFASIJUPUNF-BVAGGSTKSA-N 499.659 5.331 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1 1829067570 RTAWZZPTXNOVEJ-RUZDIDTESA-N 484.681 5.249 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829692870 NUZALOVHKLRHLV-DEOSSOPVSA-N 496.076 5.410 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829837038 BMRXALBANBZYNR-QFIPXVFZSA-N 485.625 5.054 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCCC)cc2)CC1 1830104208 MVCPCETZGWHVFC-IZZNHLLZSA-N 452.639 5.477 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1C 1830675880 QLFGMBWVELRZQB-SANMLTNESA-N 473.617 5.039 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c(Cl)c1 1830723269 ZIRBBINPAGZLSM-HSZRJFAPSA-N 471.935 5.037 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1)c1ccc(O)cc1 1830992300 YQLZXSJLQYHSCO-LSYYVWMOSA-N 498.623 5.569 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1831062635 UWOZAKVNYWHVGL-HSZRJFAPSA-N 455.558 5.123 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)s1 1831141478 QWHQNBAWHJYTKJ-QHCPKHFHSA-N 478.662 5.295 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)[C@@H](C2CCOCC2)CN3)CC1 1831371256 WHQULGLLHBKZCB-OEQAEZTDSA-N 493.692 5.068 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831376672 UIWLHZOPWRDRPP-CLOONOSVSA-N 453.602 5.072 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1831447900 YPTLDOYCCWUCNG-GUDVDZBRSA-N 464.519 5.186 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1831528230 BRNKCNNKFJDXIU-CUNXSJBXSA-N 457.618 5.098 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1831852705 ZCOBNCROUMBXDH-HHHXNRCGSA-N 474.645 5.420 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1)c1ccc(O)cc1 1831921393 OISOUAJMLLVYGH-UPVQGACJSA-N 488.619 5.190 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccsc2)CC1)c1ccc(O)cc1 1831921702 XTTHBWBMGTURDW-BDYUSTAISA-N 492.685 5.203 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2c1 1832629136 JZTUBVAMHKTYBL-KPURRNSFSA-N 496.655 5.579 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc4ccccc4n3C)CC2)c1 1832629393 OYLSESUYXFMBKT-MNNSJKJDSA-N 496.655 5.281 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)CC1 1832720904 AUJFUCFAWRFXEC-NRFANRHFSA-N 493.873 5.529 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccccc2C#N)CC1)c1ccc(Cl)cc1 1832792462 IBBLCRALHWRLHR-NBGIEHNGSA-N 494.035 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C)noc3-c3ccccc3)CC2)CC1 1838110049 MARNTJTWAOCSDN-UHFFFAOYSA-N 493.648 5.255 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)c1 1843202504 YUZQUYTYRJKCOJ-UHFFFAOYSA-N 486.575 5.213 30 20 JKED CC(C)[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(C#N)c2Cl)C1)c1ccc(Cl)cc1 1844734390 VHWNZZLPHQMTIZ-NRFANRHFSA-N 470.400 5.122 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1cccc2ccccc12 11125897 LIHALZNAMDZEBJ-UHFFFAOYSA-O 480.440 7.047 30 20 JKED Cc1ccc(Cn2nc(C)c(/C=C3\S/C(=N\c4c(C)cccc4C)NC3=O)c2Cl)cc1 16440415 KXPIFYMJOROKSA-NDENLUEZSA-N 450.995 5.710 30 20 JKED C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 26981877 WXTZTKDOCARRAU-ZDUSSCGKSA-N 474.615 5.302 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N[C@H](C)c2ccc(C#N)cc2)c1=S 31435871 IKEBLJROZTXZFI-QGZVFWFLSA-N 468.026 5.674 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 32787487 VLJGFCXPJITYSL-JKSUJKDBSA-N 475.445 5.720 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 46667716 YJFWUWJUAWDMIF-JOCHJYFZSA-N 462.937 5.101 30 20 JKED COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccccc1 97543292 KXDGBDLWGZONAJ-LJAQVGFWSA-N 477.564 6.246 30 20 JKED CCc1cc(C#N)c(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)s1 108395582 YSCNOEPNSXTAPG-UHFFFAOYSA-N 473.476 5.471 30 20 JKED O=C(Nc1cc(F)ccc1NC(=O)c1ccccn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 108701688 WYUAVIBIBWBAEZ-UHFFFAOYSA-N 471.332 5.763 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1 108732218 NXSAKSHMKZELME-UHFFFAOYSA-N 465.484 5.584 30 20 JKED Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N(C)C[C@H](C)C#N)n1C1CCCCC1 115900469 LDMNNMLMDBHOFH-MRXNPFEDSA-N 476.046 5.034 30 20 JKED C=CCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 302636852 QXJDODIWLMPJDB-UHFFFAOYSA-N 497.407 5.555 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(C(F)(F)F)c1 481446326 NWRKBYBQMWUAPI-HNNXBMFYSA-N 485.437 5.111 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481625053 MAFYEBBNQZVSJJ-UHFFFAOYSA-N 482.506 5.150 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)c2)cc1 481943257 HXTQVRATBYEFRT-UHFFFAOYSA-N 456.527 5.049 30 20 JKED COc1ccccc1OCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487356007 PYBCHXXMFVNBIM-UHFFFAOYSA-N 461.465 5.041 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3nc(C)c(SCC#N)s3)oc3ccccc23)s1 499685348 RANMQJKTDAGNEU-UHFFFAOYSA-N 473.630 5.518 30 20 JKED C=CCN(C(=O)c1ccc(F)cc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 500293923 VNHXWRPXBUKKDX-UHFFFAOYSA-N 462.300 5.453 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)c2)cc1 501476254 HSUDHVUEHVQHTN-UHFFFAOYSA-N 479.511 5.975 30 20 JKED Cc1nnc(Sc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c(C)c2)s1 509287690 NVPFDTTWPAYDBB-UHFFFAOYSA-N 474.636 6.581 30 20 JKED Cc1ccccc1-c1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c2cnn(C(C)C)c2n1 509565510 ZQYUKYKKTYIBFB-UHFFFAOYSA-N 453.546 5.899 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCCC3)nc2)cc1Cl 510044891 MTEBYTVXSHDEJP-QHCPKHFHSA-N 459.981 5.702 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1 510645030 KNPHOMVYFRFFQN-UHFFFAOYSA-N 458.518 5.275 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cc4C)CC3)c2c1 510887578 KXJXJKILQDTXTL-UHFFFAOYSA-N 478.552 6.470 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc(F)ccc1F 512961176 GUZSBZWBQJOQOV-CYBMUJFWSA-N 464.925 5.094 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)s2)cc1 513939549 GLQWKFNZGFVHCH-UHFFFAOYSA-N 477.977 5.812 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1Cl 514575021 WYOHIVADVAHXQZ-JOCHJYFZSA-N 486.984 5.885 30 20 JKED CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 515542378 WVRHLHQYNHNGLG-QFIPXVFZSA-N 479.627 5.253 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 516270296 QXRUECIHAHWDFO-LJQANCHMSA-N 456.552 5.694 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 516397442 FQQKCPQITHDFMJ-UHFFFAOYSA-N 467.472 5.916 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(Cl)s4)n3)n2)cc1 516713896 MKNUCXGPUXCUSD-ZDUSSCGKSA-N 457.989 6.147 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 518480064 HITNSZYSZNHPQO-MBOZVWFJSA-N 480.515 5.090 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)n1 518670747 JVLMLXXJGDZTJU-GOSISDBHSA-N 476.945 5.316 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 518689540 HVHCRVSOQDOMKK-AREMUKBSSA-N 455.558 5.202 30 20 JKED Cc1ccc(C)c(Oc2ccc(CNC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cn2)c1 519091323 UYOXGIQPUUCSMU-UHFFFAOYSA-N 492.535 5.410 30 20 JKED CCOc1ccc(N2C(=O)c3ccc(C(=O)N[C@H](C#N)c4cccc(Cl)c4Cl)cc3C2=O)cc1 519485135 GWBCTOKXAKSIHA-OAQYLSRUSA-N 494.334 5.187 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1 520371841 WBORDRPLRNGRQY-UHFFFAOYSA-N 498.608 5.214 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 520844391 UJAHGZMCFCZUMG-IQGLISFBSA-N 469.566 5.529 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC=C 521102432 GWUWGSXZZUDLJN-UHFFFAOYSA-N 498.439 5.616 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 521550409 PXVQWTCDAPSYGL-UHFFFAOYSA-N 474.319 6.085 30 20 JKED Cc1cc(CN(C)C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(C)c1OCC(F)(F)F 521738858 NCQLJTPNWYXDBN-HNNXBMFYSA-N 493.551 5.093 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 521797662 RXXLMAWJBDNVHT-CQSZACIVSA-N 472.433 6.148 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 521808107 CYEVMKTUUVSOGH-NRFANRHFSA-N 481.625 6.314 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 524046687 GBTLBTFQDYIUOW-RUZDIDTESA-N 452.558 5.030 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(N3CCC(C)CC3)nc2)cc1OCC 589835164 ZOBRBMXXXNYAJZ-UHFFFAOYSA-N 474.443 5.334 30 20 JKED N#C[C@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 590207662 BERQVOBXHDLFMH-OAQYLSRUSA-N 463.990 5.760 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)s1 590235360 YYMIJQIBKPFWEV-UHFFFAOYSA-N 494.363 6.569 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 593595357 JLSGEFIPWOXXLH-GFCCVEGCSA-N 482.365 5.874 30 20 JKED CN(Cc1ccccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 603647269 BLVRSMACCSQIHD-UHFFFAOYSA-N 459.638 5.063 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cn2)cc1 603763809 HBOSCHJWTSRBQE-UHFFFAOYSA-N 494.473 5.255 30 20 JKED N#CCSc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 604010554 BGGWAOICWKWORZ-HSZRJFAPSA-N 456.398 5.927 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 604084734 GEXHWEXVRKOTPW-IBGZPJMESA-N 450.882 5.234 30 20 JKED COCCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 604461387 QSTZJBQTSDHNHP-GOSISDBHSA-N 461.518 5.267 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OC3CCCC3)nc2)c1 608881774 YYLISEHFJZNWHR-UHFFFAOYSA-N 472.570 5.258 30 20 JKED COc1cc([C@@H]2CC(c3cccs3)=NN2C(=O)COc2ccc(C#N)cc2C)ccc1OC(F)F 608886452 LZUQATSKVWIIOZ-IBGZPJMESA-N 497.523 5.295 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 608895806 XJTFWOHYQHCISX-GFCCVEGCSA-N 464.494 5.127 30 20 JKED CSc1nnc(CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1C1CCCC1 609077982 KHADLNBMKCDITQ-UHFFFAOYSA-N 490.633 5.842 30 20 JKED COc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc(Cl)c1OCCC(C)C 609185497 SPYQOAVMHCJQFT-UHFFFAOYSA-N 456.970 5.329 30 20 JKED Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1C 609376492 CGVKXQPOIVFBCP-KRWDZBQOSA-N 499.702 5.211 30 20 JKED Cc1cc([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)s1 609401187 ZJWMGELFDJRIOA-GFCCVEGCSA-N 455.527 5.205 30 20 JKED C[C@H]1CN(Cc2ccc(CNCc3cccc(OCc4ccccc4C#N)c3)cc2)C[C@H](C)O1 609432845 VOMDLCDXDHHHPH-GOTSBHOMSA-N 455.602 5.036 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 609437087 PBVIAADMWBRAGS-LAUBAEHRSA-N 492.567 5.295 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1nc2cc(C(F)(F)F)ccc2s1 613404905 QHPSHYSESQNRPA-MRXNPFEDSA-N 452.461 5.868 30 20 JKED COc1c(F)cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 615130451 FHPNNSPMGLOSLG-UHFFFAOYSA-N 465.300 5.449 30 20 JKED O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618538367 JIOJPUFWRMZCRA-VXGBXAGGSA-N 491.379 6.424 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4cccc(Cl)c4c3Cl)n2)cc1 619756510 LJNPWSAQPJGNCL-ZDUSSCGKSA-N 454.363 6.693 30 20 JKED O=C(c1ccccc1Nc1ccc(OC(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620242626 LQDIZWPFPZIGBD-BETUJISGSA-N 482.371 6.235 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1cccc(C#Cc2cccs2)c1 642480387 QEVYVMPIJBOOEF-UHFFFAOYSA-N 476.989 5.894 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccccc3Br)n2C)cc1Cl 726321496 KPJUQPHBSJBADU-HNNXBMFYSA-N 486.753 5.078 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CCC(C)C)C2=O)cc1 726410181 YCDSXVQDPQQUGE-JOCHJYFZSA-N 497.020 5.421 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)cc1 726420433 LRNBGQYBXCWXCV-IAYWTGDDSA-N 478.643 5.350 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC(F)(F)F)c1cccs1 726421649 RIEATGQUGJMTQN-CGZRUWKSSA-N 491.560 5.853 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C/C(=O)c1ccc(NS(C)(=O)=O)cc1 726427022 BTEUWNYFMACFRY-ZHACJKMWSA-N 483.899 5.121 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)c(Cl)c1 726892341 TXBFCSHKEBATCD-KRWDZBQOSA-N 496.803 5.249 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 726942173 SIZXIVMXCBIOAO-UHFFFAOYSA-N 452.510 5.549 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccccc3Cl)n2)cc1 727561911 QBPDBRGZNYAXMT-MRXNPFEDSA-N 453.951 5.264 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccccc1OC(F)F 728298588 GRMLFVMZPFKCKB-OAHLLOKOSA-N 455.436 5.317 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(CCCCC#N)C1=O 728777394 KTWJJZALTPYNTH-QHCPKHFHSA-N 478.618 5.473 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 729145313 KCOBMYZSALLJAH-IBGZPJMESA-N 496.017 5.137 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)cc1F 729634569 OGWQJLOWNHPMSZ-JOCHJYFZSA-N 498.530 5.276 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)cc1 729634639 PMSYVAQRXLTBRZ-HSZRJFAPSA-N 476.577 5.252 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2C2CCC2)cc1F 730461725 HAYPAFBZDDXRSX-HXUWFJFHSA-N 491.972 5.009 30 20 JKED COc1ccc(C(=O)/C=C/c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1NC(C)=O 731159617 UJAGMXQPKZEZPW-ZRDIBKRKSA-N 451.954 5.822 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C(C)C)cc1 731307555 IDYARVLKJZFALW-XMMPIXPASA-N 488.613 5.380 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)c(C)c1 746417403 XKQZNSNCRPKXOL-SFHVURJKSA-N 471.554 6.011 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CCCCOCc2ccccc2)C1=O 747604147 YMSVNTAPTSDKPP-FQEVSTJZSA-N 494.444 5.058 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1 750391375 GMONONZTFJKWRW-GCJKJVERSA-N 483.597 5.509 30 20 JKED CCN(C(C)=O)c1nc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cs1 797169048 SECCVSGKXPKONJ-MOSHPQCFSA-N 482.005 5.691 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nc2sc(C)c(C)c2c1=O 802507876 QTBSGSVGPZLGMA-SFHVURJKSA-N 482.675 5.370 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 837481995 TXTPNWFMOMQKNO-VFNWGFHPSA-N 482.968 5.596 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccs2)C1=O)Nc1ccccc1 837741835 ROQDJJBJQXYGLB-HXUWFJFHSA-N 453.564 5.090 30 20 JKED C=CCNC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1ccc(Cc2ccccc2)cc1 839385682 ZHYQZSQWAFNWKF-UHFFFAOYSA-O 456.418 5.859 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc2cc(C(F)(F)F)ccc2s1 857838515 WFTODADBROUKBE-ZDUSSCGKSA-N 465.522 5.751 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 912934529 YIBKSJWROKHYMH-UHFFFAOYSA-N 485.949 5.190 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)c1 913117632 CFMSZVPMWRXXNF-OAQYLSRUSA-N 496.589 5.006 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 914694665 QUHZBIBXSJKMAW-KKSFZXQISA-N 499.539 5.473 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2[nH]c3ccccc3c2Cl)n(Cc2ccc(F)cc2)c1C 915428980 RUADDKLQJIANBB-UHFFFAOYSA-N 478.911 5.094 30 20 JKED CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1 915649901 LAUBDFFIEKEHTC-UHFFFAOYSA-N 494.539 5.210 30 20 JKED Cc1ccc(C)c(Oc2ccc(CNC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cn2)c1 915762697 XITIIOLXSQICQV-AREMUKBSSA-N 490.563 5.401 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C)c1 916207088 UPCOLQWRCOZMEN-NRFANRHFSA-N 474.026 5.344 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(CC(C)C)C2=O)cc1 916211761 PMDLSLGFDDDPDV-HXUWFJFHSA-N 489.544 5.107 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(SC(F)F)cc1 916214922 QRDQIVZIWVRPEH-QGZVFWFLSA-N 467.538 5.511 30 20 JKED COc1cc(C=NNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916269572 ZFOFCZUSXNAJFR-UHFFFAOYSA-N 477.870 5.831 30 20 JKED N#C[C@H](C(=O)CCn1c2ccccc2c2ccccc21)c1nc(O)c2c3c(sc2n1)CCCC3 916848040 ZIMUFAJZEIRUCY-LJQANCHMSA-N 466.566 5.650 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C2SCCCS2)cc1 916927029 CSWZAEJVTUNNLG-OAHLLOKOSA-N 451.400 5.823 30 20 JKED Cc1cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1C1CCCCC1 916927222 GJUKLSYQKAFLHS-WUQYLLKWSA-N 458.389 6.278 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916945198 SBVZDLVMHVZOAS-GOSISDBHSA-N 494.256 6.161 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1 916947133 DURCQFIEVPWRNZ-CRFBAAHOSA-N 496.658 5.497 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916977435 QPSYOPZJZMVYMF-GOSISDBHSA-N 453.951 6.301 30 20 JKED C=CCOc1ccccc1CN(C(=O)CCc1c(C)nc2ncnn2c1C)c1ccc(C)c(C)c1 917366602 GAANTWGKFIBOTF-UHFFFAOYSA-N 469.589 5.089 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(F)(F)F)c2)o1 917657216 XQASTGYQAGVGTL-MJWYBRSISA-N 491.535 5.222 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2Cl)n1 917676544 SQGQLNHISFGASF-OAQYLSRUSA-N 482.968 5.343 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2)cc1 917681925 RUWYVPWASHMYGZ-JOCHJYFZSA-N 474.973 5.372 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCSc1ccc(Br)cc1 920108818 KELFQJRQIKNCEK-LJQANCHMSA-N 459.409 5.404 30 20 JKED N#C[C@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 920109127 DJERYEGQFWSXCL-QGZVFWFLSA-N 472.879 6.158 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)n2)cc1 920139831 ZBDBVNUWQJIZQI-FQEVSTJZSA-N 474.542 5.076 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 920175977 OLBJFXKWSUONHL-BXKMTCNYSA-N 488.588 5.431 30 20 JKED C=CCN1C(=O)N[C@H](c2cc(C)c(OC)c(C)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 920353372 IEIINVNRWHUGEQ-OAQYLSRUSA-N 473.495 5.496 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C[C@@H]1CCCO[C@H]1c1ccccc1 920354765 FWOQAAOBUBBSRC-NZJKTDFXSA-N 491.657 5.017 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(OC)c1 920867862 HPAWBAHSKLBGMI-MHECFPHRSA-N 491.613 5.091 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 920868091 IFLJHHNGHQBXSY-XOBRGWDASA-N 477.989 5.030 30 20 JKED CCOc1cccc(C=Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c1O 920945984 MTWRYDUSIQEJQR-UHFFFAOYSA-N 460.939 5.004 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOCC(F)(F)F)cc1 932789800 OUZBZGNBSJWNKD-HXUWFJFHSA-N 493.551 5.151 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(Cl)cc1F)C2 1779275555 TUGYPBUOYUCARV-VZDNWZCBSA-N 483.411 5.028 30 20 JKED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCCCCCCCc2ccccc2)C3)CCC1 1783129551 NPLDFXHXVSSLJI-PDDLMNHVSA-N 493.692 5.168 30 20 JKED CCOc1ccsc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1785770589 JSUHTRICNLZJGB-UHFFFAOYSA-N 459.571 5.009 30 20 JKED COc1ccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)cc1 1785934700 SYVWJZMSSUQVOC-UHFFFAOYSA-N 468.557 5.055 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1786372093 UJKFTRPTXPVFGQ-GOSISDBHSA-N 473.598 5.493 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC(C)C)CCC2)cc1 1786546690 UAHRHXMWLNTKMN-NRFANRHFSA-N 457.615 5.026 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1786553333 XPERPYOPSPTADN-JKIUYZKVSA-N 481.637 5.008 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786574419 OGRXTEAVARNCKV-MHZLTWQESA-N 481.637 5.104 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1 1786678648 FCCUMTCHINEOIH-UHFFFAOYSA-N 454.558 5.408 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3=CCCC3)cc2)CCC1 1787623059 IFEOOMIYINMCGF-JOCHJYFZSA-N 467.610 5.090 30 20 JKED COc1ccc2nc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)ccc2c1 1789028142 GBUSOAVFPSDGRA-UHFFFAOYSA-N 476.536 5.177 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc(Br)sc4c3)cc2)CCC1 1789340780 FLAKPQLCHAXWSX-GFCCVEGCSA-N 490.448 5.125 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)CCC3)cc2)c1 1790074138 DTVDHWUEDXXDJL-UODIDJSMSA-N 495.604 5.202 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)cc1Cl 1790836926 ACPZKZSXEOGNOU-UHFFFAOYSA-N 499.958 5.158 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccc(Br)cc4c3C)cc2)CCC1 1791008631 RADYGKRJLYKCDW-UHFFFAOYSA-N 478.390 5.400 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)cc2)CCC1 1791145755 VKFWAUMCBUKDMY-DWACAAAGSA-N 489.660 5.233 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791252715 YEESYWRQVQROFN-UGKGYDQZSA-N 471.642 5.272 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)C4(C)CCCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682788 QYWJQZHBCIMJIT-QFIPXVFZSA-N 481.637 5.266 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)ccc1[N+](=O)[O-] 1792123912 GQGLZPBBOFDTPN-GOSISDBHSA-N 498.539 5.292 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1793053058 PIZTWEVXHLOCIU-IODBPXAYSA-N 495.664 5.544 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 1795588598 ORKSQHQSFZKXLB-KGSLCBSSSA-N 499.438 5.208 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(-c2ccccc2)cn2ccccc12 1799190879 PCPULORYETYNFS-BKFWDETESA-N 469.629 5.851 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1802503669 QRGIAFAPZWFIDR-NLFFAJNJSA-N 493.051 5.837 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1802720143 SZCDADBHDMPGNP-VWNXMTODSA-N 451.998 5.131 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4[nH]c5ccoc5c4-c4ccccc4)CC3)C2)C1 1804779562 UOMIBNMIBZPCLZ-UHFFFAOYSA-N 457.574 5.239 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 1804859799 OAXGMKPRLHUYLU-UHFFFAOYSA-N 476.017 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(F)ccc3Br)C2)CC1 1805121557 DEFMZKSLZJRPLM-UHFFFAOYSA-N 479.434 5.425 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1805371285 JLHBBYREFMYXIP-OASJLCFRSA-N 484.600 5.133 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C4(c5cccc(F)c5)CC4)C3)CC2)c1 1806617046 QNCFWZRWTHKPJG-OAQYLSRUSA-N 473.592 5.029 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c1Cl 1808530414 OULSLXFNWRCRLQ-WPHJTNLESA-N 477.008 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1809756356 RISDQLQLJZURJZ-PGRDOPGGSA-N 467.660 5.670 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1810183384 VDHUDSCVSXZLKB-DCLXLUIPSA-N 475.614 5.090 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCCC2(F)F)[C@@H]1c1cccnc1)c1ccccc1 1810440721 KBFGFNYCXLUJID-QEGGNFSNSA-N 493.598 5.110 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(F)c2)[C@@H]1c1cccnc1)c1ccccc1 1810444085 OOFDPRHKDHPTIT-FULLSBAXSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1810501740 CUHHSESEYPGTJD-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811433823 ITAGOVSCCVWKGW-LAUBAEHRSA-N 473.907 5.012 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4cccc(F)c4s3)[C@H]2c2cccnc2)c1 1811935422 AEYBFNDZQHBQLN-BWKNWUBXSA-N 498.583 5.249 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1812127826 QSIBUSOLFXZRSZ-XXBNENTESA-N 464.635 5.245 30 20 JKED Cc1cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)ccc2[nH]1 1812278450 YCWIEKWKPDKQGH-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1812672300 VVUOIIQNHOINGF-PGRDOPGGSA-N 496.385 5.238 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1813047031 MDBFUGIYGKKJMC-RLWLMLJZSA-N 475.976 5.118 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1813057842 IJAGKDLSQYXEMD-CUNXSJBXSA-N 471.626 5.270 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1813229373 MEARUVUMLDVIQC-NTKDMRAZSA-N 472.416 5.210 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@H]1c1cccnc1 1813229846 CXNYSKUWUUZHHR-OFSOJUDTSA-N 497.614 5.325 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1814569715 OSOOHUPVHWIGFS-MRXNPFEDSA-N 455.971 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCOc2ccc(C)cc2)n[nH]1 1814630561 KEXKRWSJMFYWIT-QFIPXVFZSA-N 452.599 5.172 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)[nH]n1 1814829391 OSKYLWCGAGCORI-JOCHJYFZSA-N 467.520 5.244 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1814829504 SJBLQEYTZPTARX-NRFANRHFSA-N 465.985 5.619 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815248750 JRJJXNFEOJFAGY-GBXCKJPGSA-N 476.602 5.569 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](F)c3ccccc3)n[nH]2)c1 1815557904 BIYIFWYEBMINMR-BSDZUQITSA-N 459.525 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)n[nH]1 1816224126 ZNVLVYZYRJFADO-QFIPXVFZSA-N 496.562 5.376 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)sc2c1 1816628255 NXLGWUJAKMDWGN-HTAPYJJXSA-N 498.612 5.575 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)c1 1817587617 BHPUGASSQAFFAM-AREMUKBSSA-N 494.599 5.020 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818164169 XXZMCOLUOJANSC-LJQANCHMSA-N 485.009 5.548 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)cc1 1818454330 QZWWWRBAECVKII-VWLOTQADSA-N 463.541 5.249 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1818660772 DKIDOQAENMXCCG-QMHKHESXSA-N 497.555 5.417 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)[nH]n1 1819300689 HEGAGMIDWQXXJB-QAPCUYQASA-N 462.381 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1819306896 HZOJJJCNFFSTPT-YADARESESA-N 492.023 5.994 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn3ccc(Cl)cc3n2)[nH]n1 1819554615 LCMFNLFJIXWQRB-IBGZPJMESA-N 468.989 5.009 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c1Cl 1820222754 GAJPXOFJGXCWJJ-QFIPXVFZSA-N 473.964 5.432 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3Oc3ccccc3)n[nH]2)CCC1 1820436997 JRCOWUILGJOAIH-JOCHJYFZSA-N 469.545 5.202 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1)c1ccc(O)cc1 1820901942 JYBIPYCCDDCMGR-VGDDVKCSSA-N 474.605 5.051 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(Br)c3CC)n[nH]2)C1 1821242064 FNPSHPOZHOSSBH-FQEVSTJZSA-N 471.399 5.007 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)[nH]n2)c(Cl)c1 1821274261 AOFNXYMJGKUGGK-MZKRTTBSSA-N 491.954 5.183 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1822580252 XBODFLVWIQFWGY-FQEVSTJZSA-N 465.985 5.352 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212511 VEIOTOJZMDMENR-AXHZCLLHSA-N 487.629 5.523 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccnc(C(C)(C)C)c3)[nH]n2)c1 1823212768 ZDECLTFAWZOZCX-FDDCHVKYSA-N 484.604 5.349 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)CC1 1823669846 GWKYCOMIZYMRBX-GHTZIAJQSA-N 464.437 5.390 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3C)CC2)C1 1823699844 FYGGCHCXUTUFMU-AREMUKBSSA-N 457.618 5.257 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c4ccccc4n4ccsc34)CC2)C1 1823702649 SBBHCUUAMNYLNR-JOCHJYFZSA-N 461.631 5.354 30 20 JKED O=C(c1cccc2ccncc12)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056860 FQBZUEABQONNCC-HHHXNRCGSA-N 486.015 5.173 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1824514630 SRXGMSQOLCPGRH-NEKDWFFYSA-N 476.661 5.292 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1824958228 PAORISOPXKVHQG-HSZRJFAPSA-N 491.657 5.376 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1826691193 PILGFDHFDDHIES-HSZRJFAPSA-N 474.630 5.433 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)c1 1828399675 BBYPZSYADJCGBY-UMFSSWHCSA-N 494.010 5.388 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)[nH]c12 1828549627 QFHUEUDOQKGFCS-AREMUKBSSA-N 468.601 5.090 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1828822549 ZHUWSTQBEJHSQP-BDYUSTAISA-N 474.645 5.607 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)c1 1829775536 DACJFSXMNMEHTQ-HSZRJFAPSA-N 490.991 5.347 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829900369 HWXAOTWPURAYRJ-UYAOXDASSA-N 457.467 5.181 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830534474 FLMMRLAMPUSJRY-NRFANRHFSA-N 484.534 5.061 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 1830715038 LSSNDAWLPYXQGY-HSZRJFAPSA-N 471.935 5.037 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1)c1ccccn1 1830755925 PXYBJIYTJSXVEL-HOYKHHGWSA-N 498.549 5.009 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)c1 1830768166 MHRUGUXFXFESKW-NDEPHWFRSA-N 492.623 5.476 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c1 1830769181 JEXXBQZCDZZESV-HSZRJFAPSA-N 472.614 5.024 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)c(C)c1 1830770089 IZBYAVBEQFYRBF-SANMLTNESA-N 473.617 5.039 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)CC1 1831059585 INSBWNAHTNQHFG-NRFANRHFSA-N 472.427 5.048 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831238888 GPZUGLJYFURUQQ-WZONZLPQSA-N 481.464 5.137 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1832028411 NZNBOHQLJVXQEI-DEOSSOPVSA-N 454.014 5.248 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)c3cccs3)CC2)cc1C#N 1832146952 FYQCIBSITXNEOW-HYBUGGRVSA-N 493.673 5.444 30 20 JKED CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832704492 LXDDCSNBXYWTDB-XMMPIXPASA-N 453.627 5.015 30 20 JKED CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832704632 OSCULZHLPIXGNM-QHCPKHFHSA-N 453.627 5.015 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1)C(F)(F)F 1832747416 HHXMDEMBDVVBFP-NRFANRHFSA-N 493.570 5.023 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)CSc3c(C)cccc3C)CC2)CC1 1836696525 BIWDHFCBKHGKBV-UHFFFAOYSA-N 484.706 5.163 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)c1 1844655033 LZMQTYVZKMNQNK-LJQANCHMSA-N 494.620 5.654 30 20 JKED CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCOCOC 2382215058 CBIAKWDQZCKYOV-UHFFFAOYSA-N 461.731 7.162 30 20 JKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccc(Cl)cc1 10658757 ZDDNJPBDABHJIS-CYBMUJFWSA-N 457.028 5.842 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2scc(-c3cccs3)c2c1=O 11380305 SJDADTRPIBIJJI-UHFFFAOYSA-N 497.671 5.415 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)cc1 11647540 GIXYVFWEOSPVKM-UHFFFAOYSA-N 488.588 5.560 30 20 JKED C=CCN(C(=O)c1cccc(OCc2csc(C)n2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 16707450 XRPBTKXIYSKDGC-UHFFFAOYSA-N 492.582 5.895 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccccc1OC 18973020 IRWLRIVRPIGNSD-HSZRJFAPSA-N 494.617 5.338 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(F)cc1 20170399 CVLANAGVYDDBMX-ZDUSSCGKSA-N 450.461 5.408 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(Cl)cc1 21608786 LRLQJTBTXFLTEL-ZDUSSCGKSA-N 463.390 5.566 30 20 JKED CCCN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 22804289 PUVMTCBIIUDROW-UHFFFAOYSA-O 458.434 5.810 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Br)cc1 24015594 WEDHHLXRUBIKRB-MRXNPFEDSA-N 471.424 5.630 30 20 JKED CC(C)n1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl 25763493 KKUSSMCOQTZJHE-XCLFUZPHSA-N 454.427 5.368 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 107876229 LLYXAHGXVZVSOW-UHFFFAOYSA-N 453.542 5.087 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1ccccc1 109918371 RVSANXYQIQIPMJ-UHFFFAOYSA-N 475.599 5.176 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 195720731 JHAPKKRYGYCNQF-GFCCVEGCSA-N 485.179 6.385 30 20 JKED CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2cc3ccccc3cc2c1=O 249702104 YXTYEXOYFKTYHX-UHFFFAOYSA-N 466.566 5.413 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cc(C)n(C2CC2)c1C 255930866 PJWHIIIIVQHCJJ-UHFFFAOYSA-N 456.999 5.425 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(CCc2ccccc2)c2ccccc2)CC1 303021779 LTIFVRMYWZLDRI-UHFFFAOYSA-N 466.541 5.299 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 303195541 NDXFWSQHXNMUQJ-UHFFFAOYSA-N 484.600 5.194 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 480320092 MWVPQADGLGFAPD-XMMPIXPASA-N 455.514 5.543 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(OCc5cccc(C#N)c5)c(F)c4)CC3)c2c1 481651486 BEMXGTQTSATQNT-UHFFFAOYSA-N 496.542 6.087 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(Cc4ccc(Cl)s4)CC3)cc2F)c1 481714846 UXKFUKZQKPVACM-UHFFFAOYSA-N 484.984 5.341 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 493138660 NPRUJBVNRWHCBE-UHFFFAOYSA-N 466.584 5.036 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccc(Cl)cc2)no1 494053585 BCEYTYCNYIHDQC-UHFFFAOYSA-N 474.373 5.692 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 501159506 ISPFJQNOKWFUBX-UHFFFAOYSA-N 475.470 6.105 30 20 JKED C=CCn1c(SCC(=O)N(CC)Cc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1Cl 502487087 SZFOPTYZIPHCKE-UHFFFAOYSA-N 491.444 5.587 30 20 JKED C[C@@H](NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1c(F)cccc1F 503164383 HCAUATRUENKODS-MRVPVSSYSA-N 498.761 5.728 30 20 JKED C=CCn1c(SCc2cc(Br)ccc2OC(F)F)nnc1-c1cccnc1 506662173 QAKAZQMZYJGFEJ-UHFFFAOYSA-N 453.312 5.182 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 508289190 NXFQWXBNFOIUGN-UHFFFAOYSA-N 453.445 5.624 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c1 509223245 FRPLLYXKIUKQLZ-FQEVSTJZSA-N 456.546 5.270 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1Cl 510022580 DZDBPBUHQGIRNB-OAQYLSRUSA-N 467.356 5.200 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)s2)cc1 510208152 HOMFXMUVIQCVGO-UHFFFAOYSA-N 489.548 5.917 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 510625827 ZPCUTPOOAUJRFJ-UHFFFAOYSA-N 458.537 5.584 30 20 JKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516019606 SOSJHBOFTCZOBA-IERDGZPVSA-N 466.368 5.807 30 20 JKED Cn1c([C@H]2CCCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 517666775 LAUMQIQSPVZFRL-AREMUKBSSA-N 450.542 5.391 30 20 JKED Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517825138 YTFPUHOFTQRDBL-HSZRJFAPSA-N 483.959 5.433 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(O)c2c(-c3ccco3)csc2n1 518666794 JJTACKQQMKBGRJ-AWEZNQCLSA-N 496.639 5.781 30 20 JKED C=CCN(C(=O)Cn1ccc(=O)c2ccccc21)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 519370387 WAICYGUMBCCIPW-UHFFFAOYSA-N 477.589 6.011 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)nnc1-c1ccc(Cl)cc1 519931372 GTTLGIVSDMBHFN-HXUWFJFHSA-N 495.008 5.243 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 520836912 CZNNRHIKSMULEH-SFHVURJKSA-N 450.482 5.521 30 20 JKED C[C@H]1Sc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2NC1=O 520837522 YRELUMRWWULDKX-LLVKDONJSA-N 451.495 5.396 30 20 JKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc2c(cc1Br)OCCO2 520937595 DOGHXAIYRJJLGK-KGLIPLIRSA-N 476.396 5.497 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 521282734 SGYINYMOWBUBKI-XMMPIXPASA-N 455.533 5.091 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 521719226 CBHJDUSDYUBSRJ-QGZVFWFLSA-N 464.974 5.840 30 20 JKED C=CCN(C(=O)c1ccc(N2CCCC2)nn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 524508402 YZDXRPPNIUIWGC-UHFFFAOYSA-N 460.390 5.340 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 561206291 PPQCLMSACRUNHB-FQEVSTJZSA-N 467.598 6.113 30 20 JKED C=CCn1c(SCC(=O)NC2(c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1Cl 588067503 QUUYEOXUUTVMGF-UHFFFAOYSA-N 459.402 5.336 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccccc1OC 589833710 CMMREXANTKNTOZ-UHFFFAOYSA-N 479.631 5.073 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591037151 DCUSFEOCYDHAHY-BNOWGMLFSA-N 483.453 6.091 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)o1 603954251 WMVIPTXMXSQXFH-UHFFFAOYSA-N 487.947 5.621 30 20 JKED Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604026961 PEIRGUAFNIUFHX-UHFFFAOYSA-N 465.962 5.623 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc3ccccc3c2)cc1Cl 604143029 GPLWTZVPIXPTSF-RUZDIDTESA-N 467.956 5.446 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1Cl 604288831 XHPBVHDWVKKACF-RLFYNMQTSA-N 489.847 6.590 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2c[nH]c3cc(Cl)ccc23)c1 604487534 ONUGVZSPKMRUDN-UHFFFAOYSA-N 489.000 5.396 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 608995536 BTFUSXQMMJPLRB-DEOSSOPVSA-N 481.911 5.757 30 20 JKED COc1cc([C@H](C#N)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc(OC)c1OC 609006279 HDHZTDYAUONGFE-QHCPKHFHSA-N 487.531 5.313 30 20 JKED CN1CCN(C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c2ccccc2)CC1 609046848 MTJIADZNTQHROI-VWLOTQADSA-N 490.007 5.114 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 609208109 YBFDSAWOYKBMKD-UHFFFAOYSA-N 493.567 5.907 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 609403131 VSPSEOBIBYBNEC-NRFANRHFSA-N 481.625 6.455 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3cccs3)cs2)nnc1-c1ccc(F)cc1 613937052 FADZNOGHRPRICE-UHFFFAOYSA-N 457.581 5.186 30 20 JKED C=CCn1c(SCC(=O)NCc2cc(F)cc(Br)c2)nnc1-c1ccc(Cl)cc1 615148308 PPXWGRXWMCWSEU-UHFFFAOYSA-N 495.805 5.095 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)nnc1-c1ccc(Br)cc1 619154340 VTGPSAKFCUCZIM-HNAYVOBHSA-N 499.434 5.014 30 20 JKED C[C@H](SCC(=O)Nc1cc(Cl)ccc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1 619555180 UKTXECVXMCYASY-NSHDSACASA-N 470.963 5.615 30 20 JKED CS(=O)(=O)Cc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 642281878 WHXVZGVWDZLOES-INIZCTEOSA-N 465.383 5.152 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2ccccc2)C=C1 725763343 KJKSRTQOCXZYLT-UHFFFAOYSA-O 494.640 6.371 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc3c(s2)CCCC3)cn1 726116694 JBDWBBUXIUOJFZ-QFIPXVFZSA-N 493.658 5.004 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3cccc(Br)c3)CCC2)cc1 726314338 HWOLSXQHFJSOHU-HSZRJFAPSA-N 488.385 5.239 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CC[C@H](C)OC)C2=O)cc1 726396563 FPKABGIPGLDIHV-HRAATJIYSA-N 490.025 5.124 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2cccc(F)c2)C1=O 726421596 OEJHTGJTFLFLQH-ZRGIPMBISA-N 497.617 5.486 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCc3ccccn3)C2=O)c1 726422471 WEWPBNTYXMLAIU-BCSIRWHNSA-N 492.670 5.392 30 20 JKED COc1cccc([C@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)c2c[nH]c3ccccc23)c1OC 726440643 ZMCMPDGGXBJELS-NRFANRHFSA-N 491.016 5.829 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 726755555 QIRKDEMKKYJETJ-UHFFFAOYSA-N 492.623 5.268 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2ccc(OC(C)C)cc2)cs1 727258104 UALAAQYUQICIBY-UHFFFAOYSA-N 481.647 5.552 30 20 JKED C#CC[C@H](OC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)c1ccccn1 727776212 VVOOHSDTYISQGY-QFIPXVFZSA-N 463.331 5.326 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cscn2)c1 728425143 KUZJMHMMYHPIMJ-JOCHJYFZSA-N 489.626 5.299 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CCCCC#N)c1cccs1 728778637 UEHZQTVBUQDRKU-VAPRLZSCSA-N 490.654 5.985 30 20 JKED O=C1/C(=C/c2ccc(-n3cncn3)cc2)CCc2nc(-c3ccccc3Br)sc21 730435513 BDUBRSQPBZCUNN-RVDMUPIBSA-N 463.360 5.366 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c(C)c1 730443475 FMSJGPIBDPRFPV-HSZRJFAPSA-N 494.592 5.250 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(F)c1 730535264 LVNZTROXIUGWLS-GOSISDBHSA-N 498.407 5.438 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O)Nc1ccc(Cl)c(Cl)c1 730713376 NRMJNSLJYNVWLZ-GOSISDBHSA-N 475.357 5.142 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 730995255 PCEDJVKOTIZDMK-JOCHJYFZSA-N 496.510 6.418 30 20 JKED Cc1cc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c(C)n1-c1ccc(C#N)cc1 731016983 PNHGXBFZLJIOFZ-UHFFFAOYSA-N 469.566 5.192 30 20 JKED COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)sc2C)cc1 731060694 NLHOIJZZYOAIRB-MRXNPFEDSA-N 480.611 5.922 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\c1ccc2ccc(Cl)cc2n1 731069563 ISTBZTAXGDJUJA-BLIJAFNYSA-N 465.962 5.478 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccccc2SCc2cc(C)no2)nc1C 731224576 BCUJUAMSPAJKMU-UHFFFAOYSA-N 484.632 5.026 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(C)c2)cc1 731304942 CNKJUVGQEOTEID-QHCPKHFHSA-N 493.560 5.009 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731306935 FPSWALFUMKWJAW-LJQANCHMSA-N 489.981 5.407 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CC[C@@H](C)c2ccccc2)C1=O 749739364 BIKVKBXPGZWZHW-BEFAXECRSA-N 477.602 5.263 30 20 JKED C[C@](C#N)(NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2)C1CC1 791688649 GFGUBWHHCIZARR-MVCYYGEWSA-N 471.582 5.138 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 799219277 OMGCUUGGWYOWBR-OAHLLOKOSA-N 459.852 5.002 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(F)c1 799222512 AMIVSDPMAVBASK-KRWDZBQOSA-N 464.349 5.034 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 837285336 LMXJPFFQSFCLJV-KBMIEXCESA-N 480.593 5.956 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 837361897 BGZUZZZZNQTYID-DVECYGJZSA-N 488.613 5.429 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc(Cl)c(Cl)c1 837530245 VOKBMOVFUIWURL-HXUWFJFHSA-N 485.396 5.549 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)c3cccnc3)C2=O)cc1 838537875 DEJRPEWNBMMCGU-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccc(F)cc1 855925478 QJOXMZAWGKKVLI-QGZVFWFLSA-N 488.613 6.580 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104487 CKABIEVBTRFGDD-XLIONFOSSA-N 498.530 5.356 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)S1 915848945 ADUWWOXCLNMESW-BKUYFWCQSA-N 463.490 6.035 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CC(C)C)C2=O)c1 916204339 CPHKHZADKKDDDA-HXUWFJFHSA-N 493.988 5.113 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc(Br)c1O 916278862 ZVBQUDNYHCXQDV-UHFFFAOYSA-N 483.391 5.060 30 20 JKED N#C[C@H](C(=O)CCSc1ccccc1Br)C(=O)Nc1cccc2ccccc12 916918839 SKQMRANGEVISPR-QGZVFWFLSA-N 453.361 5.432 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 916928379 KFBNFGGNJNKYDN-KRWDZBQOSA-N 478.339 5.212 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1Cl 916938895 OUUOHZFLECHHTN-HNNXBMFYSA-N 460.342 5.395 30 20 JKED COc1cccc(CO[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916995766 FJHDRXBUKMRXMP-UGSOOPFHSA-N 461.370 5.907 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 917669801 WJSRTQMDYQERNL-GOSISDBHSA-N 480.417 5.299 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccsc2)C1=O 917683276 UIXKMRKWGUETLN-NRFANRHFSA-N 465.600 5.226 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C#N 917703572 OXNCBYZYPRJDPH-IVZQSRNASA-N 494.523 5.021 30 20 JKED CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1=O 918710723 AGEGIYGCPBNTPV-OAQYLSRUSA-N 458.465 5.020 30 20 JKED CCc1cc(C#N)c(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)s1 920004843 JNIPOAIABCORKU-UHFFFAOYSA-N 463.360 5.807 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)n2)cc1 920141957 JEUZCEZTIYOQML-NHCUHLMSSA-N 482.005 5.493 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 920144124 XROYZFUZUSKYIS-XMMPIXPASA-N 466.562 6.325 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920323702 JBDIWVYBXCEJOA-HXUWFJFHSA-N 475.335 5.807 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 920866494 DRRYTCHGCXOLOC-WZONZLPQSA-N 461.587 5.083 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 920869015 MKMDCSXMJXQDER-ACJLOTCBSA-N 498.407 5.375 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)cc1 920870329 SIMLXKSHUYRSGA-KOSHJBKYSA-N 491.613 5.091 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 920975680 UXXWTHCUKPPGJQ-GOSISDBHSA-N 456.502 5.498 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)c1 1785787333 XSUSMFPBLMIXKQ-UHFFFAOYSA-N 493.394 5.641 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1786104422 SKHWZQZRHXTRDV-QHCPKHFHSA-N 481.637 5.288 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCC2)cc1 1786374172 IURKOUJWTWQZIP-HNNXBMFYSA-N 464.459 5.183 30 20 JKED COc1cccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CCC5)CCC4)cc3)c[nH]2)c1 1787039175 LYYBTWSOBKMVFO-UHFFFAOYSA-N 468.557 5.132 30 20 JKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)C(C)(C)NCCC#N)cc4)CCC3)sc2c1 1788030631 NDOWRZFGAUHAAB-UHFFFAOYSA-N 474.630 5.239 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4[nH]cnc4-c4cccnc4)cc3)CCC2)c1 1790031528 LJSMNCJZOSXNRC-LJQANCHMSA-N 490.567 5.160 30 20 JKED CCOc1c(F)c(F)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)ON=C(C)C)cc3)CCC2)c1F 1790566565 BTWUXZWCCITIMM-OAHLLOKOSA-N 491.510 5.051 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)CCC1 1790589177 CFQLUDQVLVCATO-GOSISDBHSA-N 473.598 5.005 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)c(C)o1 1790745065 BLNVAVKAHJZFSJ-UHFFFAOYSA-N 492.373 5.592 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCC(F)(F)F)CCC3)cc2)cc(C(F)(F)F)c1 1790784939 CZFMLXOLSIZVFP-UHFFFAOYSA-N 483.412 5.667 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791008316 FOAYZFJIDKWPHW-LJQANCHMSA-N 483.568 6.135 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1791474930 QFGIXIXHNFTSLX-RAUDTWRRSA-N 495.664 5.272 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4COc5ccccc5O4)CCC3)cc2)c1 1792123202 NQDODKNRJQOLTF-CJFMBICVSA-N 495.579 5.291 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccoc5c4)CCC3)cc2)c1 1792123465 CPINUTZKJSGTFC-SFHVURJKSA-N 464.525 5.516 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792207736 FZVWQKDDCFSEHT-JOCHJYFZSA-N 495.664 5.351 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(Cl)cn3)cc1)C2 1793052554 UHLXXXUOAYGIBQ-NUNAXRQHSA-N 480.008 5.548 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3cc(Cl)ccc13)C2)c1ccccc1 1798554223 AADTVLCNDBUCLG-KAOXLYBCSA-N 474.004 5.270 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c2ccccc2n2ccsc12 1799130848 VEABXMXSYHVVHI-WKCHPHFGSA-N 491.733 5.457 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@H]1c1cccnc1 1802492241 MIWJRKUAFOUELR-QPPBQGQZSA-N 462.638 5.086 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1803078963 GAAWUVURKXKAPK-WNCULLNHSA-N 496.051 5.368 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(F)c2)[C@@H]1c1cccnc1 1803082050 NFCKLPGSBKBHOO-UFHPHHKVSA-N 498.602 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1806544180 YODPQHOPJYHDQP-FBLLAGFSSA-N 485.550 5.117 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c(Cl)c1 1807968336 MEPFTARSROPRKZ-GCJKJVERSA-N 490.972 5.048 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1808596887 LEMXYQCDRHPHRS-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@H]1c1cccnc1 1809689995 RDQUXURFXLBHEB-MHECFPHRSA-N 480.559 5.153 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccsc2)[C@H]1c1cccnc1)c1ccccc1 1810445833 ISRADDYQPYOTJM-KPBUOLMTSA-N 483.637 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810497826 IIJBRCKNXKNKAQ-VCOUNFBDSA-N 471.692 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(C)c3[nH]2)[C@@H]1c1cccnc1 1810498696 PDGIRODMDKZAHK-RCZVLFRGSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1810504275 XKNKMJRJWNAJAV-YADARESESA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1810659056 GHCQSMPPGKQBGO-SIKLNZKXSA-N 457.977 5.186 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810726456 LYKCCNONBHEIAL-WIOPSUGQSA-N 491.538 5.405 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810948966 ZBOWIEFLNBXNCS-VIZSFHNOSA-N 489.513 5.328 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811216789 BFMYHZIGYSHJIF-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811430301 RPLDXSFZIBCNIF-SQJMNOBHSA-N 477.992 5.569 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)cc2c1 1811745493 LMLGYHBOWHQLOP-IBVKSMDESA-N 497.986 5.030 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1811820244 UXDPEBPROKAKPO-DHLKQENFSA-N 482.100 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1812115559 RQWQAYBBKPXYCO-HQCZVFHSSA-N 489.019 5.371 30 20 JKED Cc1ccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4ccc(CC#N)cc4)[C@@H]3c3cccnc3)sc2c1 1812221658 RZXHOZXRRXMJMV-SHQCIBLASA-N 494.620 5.304 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cc4cccc(F)c4)cc3)[C@@H]2c2cccnc2)C1 1813992938 RZEBQPURJPPGES-NAKRPHOHSA-N 483.587 5.097 30 20 JKED Cc1ccc(F)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814579028 GNWJSDHKAHXBTD-NRFANRHFSA-N 465.916 5.002 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cnc3ccccc3c2)n[nH]1 1814725826 FKNGISFZYHWJQI-RUZDIDTESA-N 471.605 5.351 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)[nH]n1 1814829991 MUZJFYRJPCCIFN-SFHVURJKSA-N 462.381 5.186 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3CCCCC3(F)F)n[nH]2)c1 1815354272 UQLSNGAFSVEPJM-PBEJRMEISA-N 469.536 5.168 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1)c1ccc(O)cc1 1815558114 LZPKEHKHNANZMW-YEEURNOCSA-N 488.563 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)n[nH]1 1816865133 RRPCSXXPWNQGPJ-LAUBAEHRSA-N 491.419 5.556 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)c1 1817003021 JESBNDZYKPSUNN-HOYKHHGWSA-N 490.007 5.629 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818992557 MSORMFRRKZLMNM-QHCPKHFHSA-N 493.659 5.387 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(Br)nc2C)[nH]n1 1819305521 LFOBEUORWFBIIZ-GDBMZVCRSA-N 492.443 5.011 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)[nH]n1 1819311189 PJHJFZMSJGPVGJ-CTNGQTDRSA-N 456.974 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCNc2ccc(C)cc2C)n[nH]1 1819463685 LJNLCBDDPCGYQN-HSZRJFAPSA-N 465.642 5.513 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(CC)nc3ccc(Cl)cn13)CC2 1819597637 GJYJAEAQBXOMFV-IRXDYDNUSA-N 498.052 5.001 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)c1 1820207810 BMJGTILFCAWPIM-HXUWFJFHSA-N 498.370 5.216 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccoc34)[nH]n2)c1Cl 1820220837 CZUGPLWBBVIOAP-HXUWFJFHSA-N 473.920 5.301 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821214674 LRDBHOMZLQZZRW-QGZVFWFLSA-N 484.906 5.118 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)n[nH]2)C1 1821235817 ULAXCRGWIHXJBO-DEOSSOPVSA-N 480.572 5.225 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCc4ccccc43)n[nH]2)c1 1822525426 FULYROPDUAKVIL-DVKBMCPXSA-N 467.573 5.073 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(Cl)c1 1823216169 PKOTZHTYCRIFEN-QMHKHESXSA-N 491.979 5.318 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823308969 HZPOWBZSWQOYAN-ACJLOTCBSA-N 499.921 5.189 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823896228 RAOMRLGITUQLOM-FQRUVTKNSA-N 461.581 5.308 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1824502277 DVPSYADRSAFILY-OAQYLSRUSA-N 484.534 5.061 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)cc1 1824875136 BTXRRMNSFJXSJX-AREMUKBSSA-N 496.026 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(F)c3)CC2)CC1 1824921364 WJURRUNFVHRTOP-JWQCQUIFSA-N 452.614 5.245 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1824961017 RZLBJQNZFKZLAW-XMMPIXPASA-N 481.637 5.040 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1827385129 HJYYDNGRXXTSHI-WXVAWEFUSA-N 484.644 5.471 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncsc2Br)CC1 1827724168 KHQYVQGZOKWJRN-QGZVFWFLSA-N 482.488 5.131 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828508299 UHIMPPUAGOXLBS-OPAMFIHVSA-N 489.479 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1828829638 FXEHCJVLLWYTCW-GJZUVCINSA-N 480.052 5.890 30 20 JKED COc1cscc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828905115 HZRPHABGSPMDNB-JOCHJYFZSA-N 474.743 5.041 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1Cl 1829689965 WYDBUDDNKUGRPD-RUZDIDTESA-N 476.020 5.636 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1C 1830005712 SILFANJQXJIADU-BREAQWACSA-N 464.631 5.037 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1830718123 ALFUIWBKLQIWLK-XMMPIXPASA-N 492.982 5.379 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 1830719128 XXEYFUQNFYKITM-JOCHJYFZSA-N 471.935 5.037 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc(Br)cnc23)CC1 1830999578 VAKAFUQMOAOENH-JPYJTQIMSA-N 498.465 5.443 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1831445873 WTWFMWOTJDQHNP-VFUOJUBFSA-N 485.575 5.021 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1831851713 SGYBJCHHQNFVIC-DEOSSOPVSA-N 471.601 5.465 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1832028609 YNZCERJDTMAHHF-AREMUKBSSA-N 493.598 5.454 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1832633701 MTXDQHBCTWSHNE-CLOONOSVSA-N 497.561 5.880 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832687653 DXUPLDASLOUCKN-SBUREZEXSA-N 499.989 5.792 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832962251 PSSRKSPIQNTGKC-ZCUZSRHZSA-N 459.634 5.303 30 20 JKED C=C(C(=O)N1CCC(OC2CCN(C(=O)Cc3cccc(CCCCC)c3)CC2)CC1)C(F)(F)F 1838615811 CLJMWPVKOHKIGI-UHFFFAOYSA-N 494.598 5.079 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 9073627 XWTULLPKULLBTM-UHFFFAOYSA-N 481.917 5.208 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 10178986 CSUNXWDXNUCYJY-UHFFFAOYSA-O 487.215 6.344 30 20 JKED COc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(C)c3C)=C2C)cc1 10358324 OEVQKAUXZBNZOU-SANMLTNESA-N 482.609 5.532 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1cccc(Cl)c1 10830571 PLAMDGKNXYIHGP-UHFFFAOYSA-O 452.043 6.538 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(Cc2ccccc2)cc1 11153222 YYEISIJCMKJWJD-UHFFFAOYSA-O 496.612 6.141 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1ccccc1C(F)(F)F 11156996 BNDBZOSVTQIVKI-UHFFFAOYSA-O 487.523 5.377 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(F)cc1F 11247252 KDDPQFRYTVJJGN-UHFFFAOYSA-O 466.360 6.172 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)cc1 11252941 GYOKOARWGOKHLA-UHFFFAOYSA-O 499.656 5.569 30 20 JKED C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccccc1OC 11389919 TYSJUBNHSQIOOP-UHFFFAOYSA-N 456.571 5.684 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2cccc(C)c2)c1 14872149 JQDIYQFNCLALKI-UHFFFAOYSA-O 454.413 5.658 30 20 JKED O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)Nc1c(Cl)cc(Cl)cc1Cl 20823696 NODACAJJMSEOIL-AATRIKPKSA-N 495.668 5.499 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 22730168 OUHVVBZARSPISP-UHFFFAOYSA-O 473.643 6.750 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl 26953245 RXFQYPUTCBTZBI-UHFFFAOYSA-N 453.391 5.001 30 20 JKED Cc1sc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)nc1-c1ccc(OC(F)F)cc1 97543668 OPOYXHGCNRUESF-UHFFFAOYSA-N 484.528 5.386 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cc(-c3ccccc3)nc21 108978172 RPPQZTPSAWDHHN-OAQYLSRUSA-N 479.565 5.740 30 20 JKED O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 195546723 XBZXENDBHSKHMD-UHFFFAOYSA-N 458.949 5.017 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 303001832 NAWNOYBJAWPYQP-UHFFFAOYSA-N 452.470 5.518 30 20 JKED Cc1ccc([C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccccc2)cc1 409454868 DPPURFAEVVOECG-SANMLTNESA-N 452.558 5.016 30 20 JKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1 481685751 MYEZGLRPDWROQS-UHFFFAOYSA-N 474.536 5.304 30 20 JKED CCC(CC)NC(=O)[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc2O1 483493346 FTXGJWPXXJPLKQ-SANMLTNESA-N 469.541 5.063 30 20 JKED C=CCc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(OC)c1OC 497441130 PARFMNKDLQSGOA-UHFFFAOYSA-N 458.583 5.526 30 20 JKED CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(C)(C)C#N)cc1 499433213 VSVITMBMHULWCE-LJQANCHMSA-N 464.418 5.285 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Br)c(C(F)(F)F)c3)CC2)c1 502660949 NINZDROQWVKULF-UHFFFAOYSA-N 495.299 5.222 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1CCc1ccc(Cl)cc1 502853816 ARENIPQRYDPIEY-UHFFFAOYSA-N 478.379 5.724 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc1C 504706950 KIYUPGDPPFWRDR-UHFFFAOYSA-N 471.948 6.174 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nc2sccc2c1=O 505214985 FUCUHMBNVAEGBX-INIZCTEOSA-N 463.584 5.556 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cc(C#N)ccc1OC(C)C)CC2 507787921 IQFMQHXRXOUZNC-HHHXNRCGSA-N 471.557 5.542 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 509659879 WIPKVWCKANVFCP-GJZUVCINSA-N 473.529 5.019 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510222247 JUNRNCMEWISGJV-LJQANCHMSA-N 451.577 5.080 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 512544186 FPAWTPRCQSYISL-UHFFFAOYSA-N 473.510 5.827 30 20 JKED N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nnc(-c3ccc(F)cc3)o1)CCCC2 514685632 AVJHVNMDSAHGPG-UHFFFAOYSA-N 473.533 5.148 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1 514967707 PXYKTYUDGVXNEO-FQEVSTJZSA-N 477.392 5.084 30 20 JKED COc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC 515325591 SVGPYAHEXDBFTN-UHFFFAOYSA-N 481.961 5.212 30 20 JKED Cc1cccc(COc2ccc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c(C)c2)c1 517951626 AAVUDQPFTPIWRI-UHFFFAOYSA-N 454.574 5.104 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 518208639 GNXYSRCFUSRGDM-OAQYLSRUSA-N 453.995 5.597 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1 518249023 UEZWAEBHLDWTAK-JXQFQVJHSA-N 451.636 6.046 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccc(C)cc4)c4c3CCC4)n2)cc1 518516685 SAXWTBGHVYFAEK-OAQYLSRUSA-N 454.555 5.292 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 518660757 AAFUKVJWJLQNKI-APWZRJJASA-N 466.657 5.851 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 520427402 HXVIAVQGVIQTJH-CYBMUJFWSA-N 492.404 5.922 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 520814930 RHZBWTFVMYFEHH-LJQANCHMSA-N 485.638 5.917 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 520853262 KRRHKDIFBUSKQS-HHHXNRCGSA-N 450.542 6.899 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 521188966 STQHCPLFWWBUGK-UHFFFAOYSA-N 484.478 6.112 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3Cc4ccccc4-c4ccccc4C3)s2)cc1 522422419 ZKQSPOHTCOMXLI-UHFFFAOYSA-N 469.595 5.917 30 20 JKED Cc1ccc(-c2noc([C@@H](C)SCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1F 561176408 SFJHDGBWAWURQU-HZPDHXFCSA-N 470.595 6.011 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2n[nH]c(-c3ccccc3Br)n2)c1 597713959 NUTDJVHNFKEXNP-INIZCTEOSA-N 484.423 5.279 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(OCc3ccccn3)c2)cc1 603673033 MBTADSLNGORMTI-UHFFFAOYSA-N 465.578 5.755 30 20 JKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603990349 OSKCVZCXNYQIEZ-UHFFFAOYSA-N 487.387 5.767 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(OC(F)F)c1 604142320 IWWSDDZRTNLJCI-YCRPNKLZSA-N 483.902 5.413 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1 604439224 CTSLQCLCWYSMIZ-UHFFFAOYSA-N 495.579 6.172 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc(OC)c1OC 609006689 QSWIBFJRCQLHKP-LJQANCHMSA-N 493.541 5.075 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)s2)cc1OC 609053074 TVVBYNMFGOSQQW-UHFFFAOYSA-N 462.556 5.383 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2Cl)c1 609068443 IFRZBFGLWXKWRR-UHFFFAOYSA-N 491.878 5.482 30 20 JKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)c1 609078858 QZPILMQQPCKXKV-UHFFFAOYSA-N 469.585 6.138 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)c1 609105114 TUPHNWWYOVIPKE-QFIPXVFZSA-N 486.547 5.467 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)CC2)c1 609199738 VRKMUULNZBDJIS-UHFFFAOYSA-N 452.967 5.334 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 609428522 RQMFUCMSBBPXAS-KRWDZBQOSA-N 455.539 5.129 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c(OC)c1 609435476 QGRMDAIUXDAVPD-QGZVFWFLSA-N 469.607 5.518 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OCc1ccccc1 613317983 BPFCZKPAECHMCJ-QFIPXVFZSA-N 484.577 6.205 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 618070483 KYKOYBILZPZGOD-MOPGFXCFSA-N 472.614 5.651 30 20 JKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 620304454 ADNKZOIHGPDRRV-SFHVURJKSA-N 462.452 5.948 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN(CCC)C2CCN(C(=O)c3ccccc3)CC2)c1=S 725787790 UQNFHPIMNLPZBK-UHFFFAOYSA-N 489.689 5.165 30 20 JKED O=C(Nc1cccc(Cl)c1SC(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 726078893 MOZQWOWUQVGKFY-HTQZYQBOSA-N 456.786 6.249 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCC2=CCCCC2)cn1 726114519 XEUYSIHVEDFMJX-JOCHJYFZSA-N 465.623 5.062 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccc(Cl)cc2)cs1 726321221 DEHAJQLPPYXVAB-KRWDZBQOSA-N 479.970 5.735 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 726411099 GNMDIPABTLZGKX-DVECYGJZSA-N 468.582 5.093 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@H](C)c1cccs1 726421823 PXTBTIOPUUENQK-NTTOUURBSA-N 483.581 5.957 30 20 JKED CCOc1cc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c(OCC)cc1NC(=O)c1ccccc1 726474024 DIHSQQIYFAZMGV-UHFFFAOYSA-N 495.004 6.070 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC)c(Cl)c1 726891338 NPEHYOLMTDJHJL-IBGZPJMESA-N 494.400 5.157 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)Nc1ccc(Cl)nc1 727159267 FFBVTWMSJKWGFI-UHFFFAOYSA-O 482.029 5.315 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1=S 727431833 WVRMZXFJHMJMAV-XMMPIXPASA-N 494.064 5.250 30 20 JKED COc1ccc(N2CCC(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 728119475 MRAFLYVAJFFMHF-UHFFFAOYSA-N 470.573 5.245 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cs1 728346502 IPBNSPPIGWZYEY-JOCHJYFZSA-N 480.977 5.065 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc2ccccc12 728421375 UEEXJXFSCRQRMF-MHECFPHRSA-N 486.597 5.097 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 728422159 CWGDPJNDKHPGHK-ZHRRBRCNSA-N 489.988 5.328 30 20 JKED CCN(C(=O)COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc2ccccc2s1 728667884 FIKJYZDIFUUIAI-UHFFFAOYSA-N 457.511 5.170 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCCCC#N)C2=O)cc1Cl 728778523 SLHBUNNUVXXVSD-HXUWFJFHSA-N 472.973 5.442 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 728779295 XUHCSUPPFJNPHC-IBGZPJMESA-N 458.946 5.133 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(CCCCC#N)C1=O 728780407 SICXPUCKKGWTNN-OAQYLSRUSA-N 499.036 5.620 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c1 729145165 JGIIFUMIFXVSLP-FQEVSTJZSA-N 464.616 5.229 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@@H](C)C(=O)N(C)CCC#N)cc1 729248118 TZESFNRWYMNNLJ-HLILLCKBSA-N 474.630 5.356 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729572750 NVVNETNDIJLMNP-UHFFFAOYSA-N 455.502 6.334 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1 730460740 DHIIXJZUCNOJKV-FQEVSTJZSA-N 491.535 5.617 30 20 JKED C#Cc1cccc(N(C)C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c1 730970518 XYZWOPCTLMYGQH-UHFFFAOYSA-N 454.786 5.135 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 731079668 GDNPVWWDZQULDB-OAHLLOKOSA-N 462.493 5.171 30 20 JKED COc1ccc(Cc2nnc(S)n2N=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 731150769 FQYDQUITOYSNAQ-UHFFFAOYSA-N 481.025 5.320 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)s1 731310817 QPOOGAFHANPYOT-FQEVSTJZSA-N 469.563 5.062 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(Cc2cccc(C)n2)C1=O 743524523 KJWLRUNRAUAWFN-HSZRJFAPSA-N 492.576 5.007 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(C[C@@H]2CCCO2)C1=O 743524720 MCKGJQTYAXZIDS-MBSDFSHPSA-N 499.608 5.062 30 20 JKED COc1cc(C(C)=NNc2ncnc3sc(-c4ccccc4)cc23)ccc1S(=O)(=O)C(F)F 747042640 VXSFATZZTKGCON-UHFFFAOYSA-N 488.541 5.199 30 20 JKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CCC3)cn1 747434280 ASDJVMNZGHAVIF-JXAWBTAJSA-N 453.933 5.737 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(CCc3nccs3)C2=O)cc1 747600238 ODORSTKMHDOQGU-NRFANRHFSA-N 478.643 5.271 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1Cl 887937127 LXZKYGIUCFBXNX-XMMPIXPASA-N 473.001 5.869 30 20 JKED Cc1ccc(-n2ncc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c2C2CC2)cc1Cl 914917172 OCXYONGGRINYDF-UHFFFAOYSA-N 480.977 5.123 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1 915085649 OIYVBNPXEILRTB-QFIPXVFZSA-N 472.595 5.222 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1 915088121 ZNBKXPUKGSBAQK-DEOSSOPVSA-N 460.624 6.228 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccc(Br)c2)C2CC2)cc1 915353329 MWPCTGQTQQCMGY-XMMPIXPASA-N 460.375 6.301 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915353484 NTMRCYQUBWZYTI-HSZRJFAPSA-N 485.975 6.088 30 20 JKED N#CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)c1 916409557 BJWILIWSOCXBRA-UHFFFAOYSA-N 497.576 5.237 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)COc3ccc(C4SCCCS4)cc3)c2)cc1 916449904 RWXKMLMKJFUCBR-UHFFFAOYSA-N 490.650 6.218 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916886117 DXTGVGQEULTSBE-QGZVFWFLSA-N 471.510 5.276 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2ccccc2)cc1 916902882 LMUVODQVSPLCEO-FQEVSTJZSA-N 464.974 5.911 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916930860 LKNNKYKMVQHBFV-GOSISDBHSA-N 473.579 5.558 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(Br)ccc1F)C(=O)Nc1cc(Cl)cc(Cl)c1 916941918 BWEJARUFKJZMFZ-NTHKTCTLSA-N 456.098 5.256 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 916951245 XYSJBIGZGRFSPG-HOYKHHGWSA-N 453.542 5.722 30 20 JKED COc1cc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1c(C)noc1C 916972185 KOUZBWLVXLLALM-WMAYMBLKSA-N 499.592 6.201 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977162 LOWXHGUYWAEYEB-GOTSBHOMSA-N 485.996 6.201 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996173 LCKOOEYBLZAJIO-QAPCUYQASA-N 470.381 5.342 30 20 JKED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047135 RRZOVZKLXLAXPX-FUHWJXTLSA-N 455.967 5.262 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cs1 917560463 ZPFJJCPKCNUWPX-FMIVXFBMSA-N 472.522 5.990 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)c1OC 917682517 JTBUQPXYCSVEOB-HSZRJFAPSA-N 489.597 5.173 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 918487514 OBZORDXHVGFJFP-INIZCTEOSA-N 492.345 5.375 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(COC(C)C)c2)c1 920442127 UCZPTABTPLJQPO-UHFFFAOYSA-N 499.032 5.899 30 20 JKED C=CCOc1ccc(/C=C2\SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 920473862 YISLDLOBFJCLPU-QJOMJCCJSA-N 450.629 5.117 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OCC 920867924 BSALGVHEVUJORB-GOSISDBHSA-N 475.427 5.100 30 20 JKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1322565007 IIXBDWDGQGGUAI-UHFFFAOYSA-N 462.506 5.252 30 20 JKED COc1ccc([C@H](C)C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)cc1 1785880536 BWWFAZIKGKOHLI-FQEVSTJZSA-N 467.569 5.047 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4CC(F)(F)C4)cc3)CCC2)ccc1Br 1785908992 BESWSZCTHXEXTC-UHFFFAOYSA-N 488.332 5.114 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)cc1 1786334429 XCZWDJGMMCDJHM-FTJBHMTQSA-N 497.570 5.186 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3C(F)(F)F)cc2)CCC1 1786604857 ISASFWQHLICODE-INIZCTEOSA-N 478.486 5.112 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3C)cc2)CCC1 1787046231 HJTBNTDOPWNSLD-HNNXBMFYSA-N 456.384 5.112 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)oc4C(F)(F)F)cc3)CCC2)c1 1787398503 WHECZBSIUUTVGY-UHFFFAOYSA-N 497.473 5.549 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)CC3CCC(c4ccnc5ccc(F)cc45)CC3)CCC2)cc1 1787649857 XBBPCUXSNJZWCT-UHFFFAOYSA-N 498.602 6.086 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCN4CCCCC4)cc3)CCC2)cc(C(F)(F)F)c1 1787790587 WFKVTFOVRRQDJQ-UHFFFAOYSA-N 498.549 5.201 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4cc(Cl)cc(C(F)(F)F)c4)CCC3)cc2)CC1 1787880712 KMDFYQVIYSWGGE-UHFFFAOYSA-N 475.898 5.339 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C=O)s4)cc3)CCC2)c1Cl 1788152668 MCBBMIWQCLVSPL-UHFFFAOYSA-N 463.946 5.147 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4N=C(C)CC4=O)cc3)cc2)CCC1 1790322180 DNTNTTMMRRCGSV-UHFFFAOYSA-N 484.600 5.315 30 20 JKED C[C@H]1CCc2c(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5Cl)cc4)CCC3)n[nH]c21 1790766957 IIOPCIOUEGPTGW-HNNXBMFYSA-N 473.964 5.046 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](N[C@@H](C)c4ccccc4)C4CC4)cc3)CCC2)C1 1791146053 AGZDAFMPLLINKC-FNZWTVRRSA-N 457.618 5.216 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1791578055 VKBFXWLZDUCQBU-MRXNPFEDSA-N 459.571 5.494 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)cnc3s1)C2 1793052908 VZXRJYPARKPWKE-REPLKXPHSA-N 488.451 5.079 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 1796964898 JYTFMCTXXYGBFZ-KOUNCHBCSA-N 459.933 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1805687138 MZPFAITUFLBQKU-TZBSWOFLSA-N 463.622 5.369 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)cc1 1805948090 UVWQOUUHPVTZNZ-FTJBHMTQSA-N 494.752 5.081 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1809404711 RDBWFWDDPCFJPZ-RDPSFJRHSA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ncsc23)[C@H]1c1cccnc1 1809955345 GVGBOVDKVPJKND-SIKLNZKXSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1810171884 HWWGFXNQEDRVLW-SGIRGMQISA-N 474.630 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c(C(C)C)nn4ccccc34)C2)CC1 1810449366 UZCIGHMBABGEHU-JOCHJYFZSA-N 462.638 5.071 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1811288054 QIWCUSPIOHOSIO-ATIYNZHBSA-N 498.652 5.637 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccc(C)cc4s3)[C@@H]2c2cccnc2)c1 1811944173 KZEVAWABOCTJHC-WNCULLNHSA-N 494.620 5.418 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)[C@H]1c1cccnc1 1812588141 BJIGAHPSVWUBFN-PDOGEWKWSA-N 496.533 5.180 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1813868334 LVBRCGLZCAYUGD-CNPGNWEMSA-N 487.003 5.304 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CSc3ccccc3)n[nH]2)c(Cl)c1 1816953181 OTBYYSXEOREUIO-NRFANRHFSA-N 479.993 5.033 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1 1817744296 SFMUDWFROUQXEU-VWLOTQADSA-N 490.567 5.272 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3nc(C)ccc3c2)n[nH]1 1818672738 ILIWIWRZUOQYHC-DEOSSOPVSA-N 457.578 5.341 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971773 PFUZXVNVIRWKPM-KSFYIVLOSA-N 496.999 5.027 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)[nH]n1 1819307365 SPJLHZMEVFBDBF-NTKDMRAZSA-N 497.603 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)[nH]n1 1819307739 MRJJKJVDAOQJBX-QAPCUYQASA-N 462.381 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc3c2CCCO3)[nH]n1 1819554098 FVPUIVQIKPBQTM-IBGZPJMESA-N 456.612 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(=O)OCC)c2F)[nH]n1 1819555674 UUXXCXDFLXTWKX-HXUWFJFHSA-N 484.572 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)[nH]n1 1819555853 FUSODSDPTAORET-QUCCMNQESA-N 489.661 5.088 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4ncccc4c3)[nH]n2)c1Cl 1820219792 YLKUDARAIWPVPH-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)[nH]n1 1821925406 SAWHZOKBWGQHLG-UTKZUKDTSA-N 481.597 5.275 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)[nH]n1 1822382688 IQCJPKZCPKKPOJ-IAQYHMDHSA-N 493.452 5.011 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2cccnc2)n[nH]1)c1ccccc1 1822760804 YHOXPVRRFHNMLC-HUBMOFRJSA-N 481.600 5.098 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823848539 YZFVYGBEROMTSV-DEOSSOPVSA-N 489.701 5.020 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)c2[nH]1 1824052013 BHHURYWCMFJXGI-MHZLTWQESA-N 482.628 5.214 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4cccc(O)c4cc3OC)sc2C1 1824163776 ROGFDSQPBSVEPB-ZWKOTPCHSA-N 491.613 5.005 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC[C@H]3CNc4ccccc4C3)CC2)c1 1826952988 ZMRFVSMOHCZAEW-BTYSJIOQSA-N 498.671 5.165 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CC2)C1 1827380915 MFTDMEPNVIMTDG-MHZLTWQESA-N 482.628 5.429 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1)c1cccs1 1827684450 CEFGSEBVGJDLCM-IRUYWQDXSA-N 489.012 5.213 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321141 HHSCJJIDTVNIHL-UWJYYQICSA-N 490.069 5.589 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1828824946 QNHGDIBYYBCKHU-ZEQRLZLVSA-N 489.701 5.020 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1828827827 VWXRTHOCKBGXOA-ZJSXRUAMSA-N 473.608 5.033 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1828828539 LPDNEPWUILLWAY-PZJWPPBQSA-N 451.533 5.035 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1829673344 OWXPXXIKTATFKW-PPHZAIPVSA-N 486.591 5.481 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274495 CTUJBUUXQKMDFG-URXFXBBRSA-N 481.040 5.165 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830472130 PNVUWMXSMFJEHD-XMMPIXPASA-N 491.072 5.343 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1830838329 IMZNRPDNAMKYJJ-NRFANRHFSA-N 471.045 5.442 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1831375768 DYTYIVUVDLIYGR-HOYKHHGWSA-N 454.014 5.334 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1831714631 HDWOUKSLBQJSRP-KDYSTLNUSA-N 487.644 5.107 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSC2CCCC2)CC1)c1ccc(O)cc1 1831924941 OKZRPTFREZVNEV-SHQCIBLASA-N 496.717 5.185 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c1 1832634244 SBBSHMBADHANBO-DFBJGRDBSA-N 464.009 5.514 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1832651206 XTPVCERQJJEOQM-WDYNHAJCSA-N 499.655 5.076 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1833079861 XJNYYLLZINNVMV-UHFFFAOYSA-N 486.056 5.264 30 20 JKED CC(C)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)CCCC#C[Si](C)(C)C)CC3)CC2)cc1 1835728482 VJYGPFGHZWQPKK-UHFFFAOYSA-N 495.784 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1836696379 JUSIVTJJCDYILT-UHFFFAOYSA-N 498.067 5.510 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)c3cccs3)CC2)CC1)c1ccccc1 1838417561 FKAYWPLHVCJKDG-GJZUVCINSA-N 492.685 5.047 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1838691594 PCLVKFMKSVWDFR-MRXNPFEDSA-N 467.437 5.126 30 20 JKED C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C#N)c2C1 8890465 YDFLOFZKELLHCY-CQUHBBLWSA-N 483.549 5.679 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccccc2CC)c1C 10174422 QOZWOFHFSRXJTF-UHFFFAOYSA-O 478.638 5.271 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1cccc(Cl)c1 10830371 VSMNTXNNLAVZRS-UHFFFAOYSA-O 455.003 5.388 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 11153779 ASIREIVJTHSWHL-UHFFFAOYSA-O 481.641 6.241 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C(C)C)cc1C 12197246 IFBQVAKDANHVDZ-UHFFFAOYSA-N 468.648 5.312 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c(OC)c1 14809746 BPVIOMYSIWFPKK-UHFFFAOYSA-N 474.435 5.305 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1/C(O)=N/c1nnc(SCc2ccccc2)s1 21955673 RECJBUKHCZITPW-UHFFFAOYSA-N 456.574 5.682 30 20 JKED C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 23412889 ZVGRQDRSPMARGJ-CQSZACIVSA-N 461.572 5.068 30 20 JKED C=CCNc1nnc(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)s1 23485893 PHDRZZYSMOVFHI-CXAGYDPISA-N 474.011 5.241 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23604391 WEHJMIJBBQMHBY-UHFFFAOYSA-O 490.571 6.166 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 23639873 ZRKFRRJOJNFRQP-QGZVFWFLSA-N 480.634 5.565 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1ccc(C(C)(C)C)cc1 23998910 WYRSTMCCJLODSA-QGZVFWFLSA-N 477.634 5.506 30 20 JKED C=CCn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nc2cc(-c3ccccc3)sc2c1=O 31741465 HRMUHKPNCQDRLO-UHFFFAOYSA-N 493.013 5.493 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 71944556 HIIGAHMCHBGPOM-UHFFFAOYSA-N 482.609 6.353 30 20 JKED COCCOc1ccc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 107735403 UXAKYGROHRMLRN-SFHVURJKSA-N 462.571 5.234 30 20 JKED C[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 108956504 YXBGUWUJJLVBCW-GOSISDBHSA-N 452.476 6.483 30 20 JKED N#C[C@H](C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc(-c2ccncc2)cs1 195662432 RVTDQBGQTVBJBJ-HXUWFJFHSA-N 465.456 6.506 30 20 JKED N#C[C@H](COC(=O)c1csc(-c2cc(Br)cs2)n1)Cc1ccc(F)cc1 195696837 RODBNWUSYOVMMQ-GFCCVEGCSA-N 451.342 5.312 30 20 JKED C[C@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1 195745645 NGEFYYNMICXMQU-IRJMIRDBSA-N 464.613 5.799 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N(CCC#N)Cc3cccnc3)cc12 301993755 DLSBHPFKJPDOIR-UHFFFAOYSA-N 484.412 5.712 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 302957354 FVBHGDZLRDUFNA-UHFFFAOYSA-N 467.613 5.219 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C(F)(F)F 303011263 JTOCOLGSNBGWKI-UHFFFAOYSA-N 462.431 6.116 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3c(ccc(Cl)c3Cl)C2=O)cs1 303071324 XFYYISWYRPSCRQ-RAXLEYEMSA-N 477.344 6.322 30 20 JKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)CC1 303233080 ZGEWDKKHFRQSAL-XMMPIXPASA-N 460.622 5.307 30 20 JKED CC(C)CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(C#N)cc1 480100870 XZBXKMBKERSCIM-UHFFFAOYSA-N 474.483 5.391 30 20 JKED C=CCN(C(=O)c1cccc(C(=O)N(C)C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 481931987 OOJQCDSJJNJAKV-UHFFFAOYSA-N 460.386 5.652 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)s2)c(C(F)(F)F)c1 487393139 WODHQUNUSCSXEY-LJQANCHMSA-N 487.503 5.434 30 20 JKED COc1cc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OCc1ccncc1 502707445 FOGINNOZWVCBIJ-HXUWFJFHSA-N 495.604 6.183 30 20 JKED CC(C)c1nc(C(=O)Nc2ncccc2OCCCC#N)nn1-c1c(Cl)cccc1Cl 505439658 ZBSKQPNUDYCHND-UHFFFAOYSA-N 459.337 5.027 30 20 JKED C=CCn1c(S[C@@H](C)c2nnnn2-c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 509597105 XWODDCQSWGZXBE-INIZCTEOSA-N 472.599 5.140 30 20 JKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)c1 509905716 RFFHBMYNJVQKFY-UHFFFAOYSA-N 470.573 5.359 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1cccc(Cl)c1 514360215 BDLHDXNIAYNPTE-HNNXBMFYSA-N 457.962 5.185 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1cccc(SC)c1 514692930 KYONBEOWJCYGTB-HNNXBMFYSA-N 458.584 5.023 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccc(F)cc2)no1 515162536 XAHKYSYHLPRAIY-UHFFFAOYSA-N 457.918 5.178 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)N(CCC#N)c1cccc(C)c1C)CC2 515779922 KWYCMMCELVJIND-MUUNZHRXSA-N 489.641 5.277 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516012710 TUXDYPHYYBWCBF-HXUWFJFHSA-N 485.893 5.611 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1nc2c(s1)CCCC2 516074447 VOHKNQZMEFTFJK-UHFFFAOYSA-N 496.430 5.870 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1 516746893 SSQCCMKFADAATF-AREMUKBSSA-N 465.484 5.334 30 20 JKED CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 517183262 FGQGATLNOCXXDP-UHFFFAOYSA-N 455.558 5.052 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cccc(NC(=O)CCCc4cccs4)c3)CC2)c1 517860186 NFBSWYFJJJFPHR-UHFFFAOYSA-N 473.598 5.265 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)n2)cc1 517952190 MVOWBIGZZMILLB-HSZRJFAPSA-N 451.551 5.885 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1Cl 518653515 IGYQLVKBSRAJRW-UKILVPOCSA-N 457.961 5.168 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccc(C(C)(C)C)cc1 518653966 QMOBRYQFBSMZSI-GOSISDBHSA-N 493.702 6.388 30 20 JKED CSc1nccn1-c1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 518870872 JRHHPRVPMMQWSP-HNNXBMFYSA-N 452.511 5.486 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 519433858 GDYCHNPOLPUGPQ-UHFFFAOYSA-N 490.576 6.176 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccccc1Oc1cccc(F)c1 519436422 OAVDWEUDKYGJPE-KRWDZBQOSA-N 463.534 5.125 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 521807359 JBIOCCHZLHAXDO-VQTJNVASSA-N 457.599 5.356 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc3cc(Br)cc(Br)c3o2)cc1 553165077 HSFOPKLBPMLGQY-UHFFFAOYSA-N 492.167 5.917 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 603622313 SDUJZKGZZFLCMP-UHFFFAOYSA-N 468.307 5.168 30 20 JKED CCCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 603706274 VWTLFCIMMUKPJI-QFIPXVFZSA-N 451.979 5.460 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 604010892 IZWIUSUXVWZBKC-UHFFFAOYSA-N 491.638 5.521 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 604430544 WIHBLCIBKPYGSY-UHFFFAOYSA-N 468.601 5.365 30 20 JKED CC[C@@H](C)Oc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 604440746 NRFVBURQCRVFGF-GOSISDBHSA-N 459.571 5.719 30 20 JKED Cc1ccc(-c2noc(CN3CCN(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cc4)CC3)n2)cc1 604460749 ZUFPYNBKRDAQDG-UHFFFAOYSA-N 494.555 5.059 30 20 JKED CSc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccc1NC(C)=O 609062551 VFDVGVKSLODHNJ-UHFFFAOYSA-N 465.962 5.723 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc2Br)no1 609066815 MQWCGLJCPOFDPX-UHFFFAOYSA-N 478.249 5.050 30 20 JKED CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609079458 ADVGXHHTBIQRTC-UHFFFAOYSA-N 483.012 5.293 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](c3cccs3)C3CC3)cc2Cl)c1 609085485 QJMASVDOQJXOLN-JOCHJYFZSA-N 465.962 5.058 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609164400 MUQKCVRLULQZBA-HSZRJFAPSA-N 471.944 6.432 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 609371059 WQVWUFGCHRSVBU-QGZVFWFLSA-N 491.667 6.121 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 609402419 YTKPEBZLRQSSQL-OAHLLOKOSA-N 499.061 5.546 30 20 JKED N#C[C@H](NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1cccc(Cl)c1Cl 609414265 AQNCKSMWODTRIR-ZDUSSCGKSA-N 450.123 5.141 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1OC 617995000 YBGRIQYXAOVCQR-HOTGVXAUSA-N 456.999 5.151 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 619321918 CSLNMFWQUBIHFE-STQMWFEESA-N 494.407 6.658 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)s2)cc1 642282487 VYJJNNKPMWUUGD-MRXNPFEDSA-N 452.486 5.752 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 726320331 WWGXDZCKWZEAOW-JOCHJYFZSA-N 452.514 5.502 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC[C@@H](C)OC)cc1 726393641 QCVIXVSOLVROHL-KOSHJBKYSA-N 491.613 5.234 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406697 LUMVEGXFXMSJBO-KSFYIVLOSA-N 489.988 5.328 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3ccccn3)C2=O)cc1 726407045 OAGVUGOCTUXNIU-QFIPXVFZSA-N 489.988 5.076 30 20 JKED C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1OCC 726428029 CXXPFRRLNJRGKP-CLFYSBASSA-N 474.351 5.276 30 20 JKED CCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 726572090 QVLXBNARTAMJKC-UHFFFAOYSA-O 475.037 6.264 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2occc2COc2cccc(C#N)c2)cc1 726690506 XTOZKWINVJUIKK-RUZDIDTESA-N 488.540 5.040 30 20 JKED N#CCC[C@H](C#N)CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 726797474 JXNNKIIVXKNYNH-CLXYIWAZSA-N 489.815 6.567 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccn2)cc1Cl 726893112 XYAJXEPZYDVRRW-NRFANRHFSA-N 498.967 5.043 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc(Cc2ccc(F)cc2)s1 727233297 MVCFTEQRSAAQGE-HXUWFJFHSA-N 471.513 5.626 30 20 JKED Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)cs2)c1 728372941 VOXJUSFAZJKFEQ-UHFFFAOYSA-N 498.608 5.577 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)c1ccccc1C(F)(F)F 728740583 OJZSTYQJVHZVFN-QFIPXVFZSA-N 455.436 5.533 30 20 JKED CC(C)N(CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)OC(C)(C)C 729035341 BXMOOPYHQOOUPH-QHCPKHFHSA-N 450.583 5.499 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3scnc3C)C2=O)cc1 729141541 BZFPYXJVFOYJPD-NRFANRHFSA-N 494.642 5.319 30 20 JKED CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 729557172 FNKVAVQFYMAELI-OAQYLSRUSA-N 468.985 5.516 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(OC(F)(F)F)c2)cs1 730948877 NWPWRSDYZSWSFF-YFHOEESVSA-N 466.868 6.276 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 730953609 MBIWRIQIGQVYJK-FPOVZHCZSA-N 492.670 5.854 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2C)c1 731307259 GPKLYWVQLQSYKU-DEOSSOPVSA-N 489.597 5.178 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1cccc(F)c1)c1cccs1 731311875 IIWWSYCNICGFME-MXGHJUMWSA-N 497.617 5.225 30 20 JKED Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNc2ccccc2S[C@H](C)CC#N)cc1 731351881 FNIHBRZJYCNJJK-HXUWFJFHSA-N 472.614 5.370 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 743524297 IYDKINXQJAXZEY-OPAMFIHVSA-N 480.540 5.390 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(Cc2cccs2)C1=O 743524715 MBDNCXPENSXVCR-NRFANRHFSA-N 483.590 5.365 30 20 JKED CCOc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)c1 743538791 OBKQUUFJWPOWEZ-ACCUITESSA-N 465.933 5.661 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1=S 746033721 SVZWCAFBGGRPQJ-QFIPXVFZSA-N 486.645 5.481 30 20 JKED O=C1/C(=C/c2cccc(OC(F)F)c2)CN(c2cnccn2)C/C1=C\c1cccc(OC(F)F)c1 747064391 VAKILDDRLBWWIN-VNIJRHKQSA-N 485.437 5.236 30 20 JKED COc1cc(C(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)ccc1S(=O)(=O)C(F)F 747065958 GFXKKFRZJTUGOO-MDZDMXLPSA-N 494.947 5.103 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC(OCc3ccccc3)CC2)c1=S 798219344 IOVJQXXAANHJMX-UHFFFAOYSA-N 485.053 5.471 30 20 JKED Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C#N)c3)c12 813385393 PULXJDBGDPCOIW-AWEZNQCLSA-N 494.429 5.273 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(C3CCN(C4CC4)CC3)C2=O)cc1 837285539 OXAJPYXYGQGSQX-XMMPIXPASA-N 490.673 5.199 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837367151 GNYGWBUFOKLNJC-NTKDMRAZSA-N 472.614 5.927 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837659674 GCDPXBVQVBKKRU-UZUQRXQVSA-N 494.567 5.698 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)CCc1ccco1 838486636 QKFSZUHLQWCTQN-HXOBKFHXSA-N 495.576 5.409 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O)Nc1cccc2ccccc12 838574940 DYDRXXJOOGFDDR-NRFANRHFSA-N 451.498 5.241 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 842072023 NEPHNYXEZJRRBW-UHFFFAOYSA-N 494.573 5.209 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 901383306 RKKXDAYQSOHYTR-OAHLLOKOSA-N 471.941 5.403 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)NCc2cccs2)cc1 912837753 MWFLFOJFYLTZNB-UHFFFAOYSA-O 480.679 5.396 30 20 JKED Cc1cc(S[C@@H](C)C(=O)OCc2noc(-c3ccsc3)n2)n2c(nc3ccccc32)c1C#N 913258263 UGKHNMIWFFDPHF-AWEZNQCLSA-N 475.555 5.003 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cccc1C 914539409 AOCNHCFPJXDVGC-OAQYLSRUSA-N 492.576 5.007 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 914549685 GLYQRGLYSDSGIJ-CYFREDJKSA-N 472.614 5.043 30 20 JKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103533 WUWAATALUJXWHC-GXQSDHRMSA-N 457.599 5.302 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc(Br)cc2Cl)CC1 915129918 KVTYXKJKDJUNGR-UHFFFAOYSA-N 476.714 5.044 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)C[C@@H]4CCCO4)c3C#N)C(C)(C)C2)o1 915564403 VZNQYTQEWURENF-FUKPKEADSA-N 480.586 5.350 30 20 JKED CCOc1ccc([C@@H](CNC(=O)Nc2cccc(OCC#N)c2)c2c[nH]c3ccccc23)cc1OC 915710605 QOMJCGNNKYEBQX-HSZRJFAPSA-N 484.556 5.431 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916137630 ZYWLDYLOTRCNDY-LUAWRHEFSA-N 489.877 6.281 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1ccccn1 916206705 UDYNJBSQRUFPFX-QFIPXVFZSA-N 479.005 5.246 30 20 JKED O=C(Oc1c(F)c(F)cc(F)c1F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 916869551 YGYUMXGDYPMINN-UHFFFAOYSA-N 456.745 5.132 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916885547 ZHZDPHSBQQMUSO-HXUWFJFHSA-N 486.742 5.860 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 916909803 VBXUVTOWEAYFJQ-FQEVSTJZSA-N 477.561 5.534 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 916951224 XYHQNBOYPFWHKK-QVKFZJNVSA-N 468.479 5.674 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)cc1 916955523 RFXXKTLSKZRZTR-QRWLVFNGSA-N 471.586 5.480 30 20 JKED COc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 916996531 KHDYPUSWXAQERQ-ACJLOTCBSA-N 486.380 5.355 30 20 JKED CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043924 PGDHCZXOYOJUER-LPHOPBHVSA-N 474.508 5.015 30 20 JKED C=CCn1c(SCc2c(C)nn(Cc3ccccc3)c2Cl)nnc1[C@H]1COc2ccccc2O1 917175121 DIHDZUUUHHMCAM-JOCHJYFZSA-N 494.020 5.476 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)c1ccc(Oc2ccccc2)c(F)c1 917548226 MGGAJZQGDKUXGN-UHFFFAOYSA-N 477.521 5.045 30 20 JKED Cc1cccc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1NC(=O)c1ccccc1F 918322512 ZKWYGFXUSCTKDE-FICVDOATSA-N 490.419 6.026 30 20 JKED C=CCN(C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc(-c2ccccc2)cs1 919979363 UGUBWGIJCWWVHB-UHFFFAOYSA-N 454.477 5.847 30 20 JKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 920109366 QDOSUYJHTAFYID-YKSBVNFPSA-N 454.526 5.645 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)[C@H]3CCOC3)c2C#N)C(C)(C)C1 921216854 YKDJSUDMGIZJKF-CHYADLBTSA-N 482.627 5.286 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)CCC1)c1ccc(O)cc1 1785967680 RARPXDICWQSTMT-NRFANRHFSA-N 483.568 5.203 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cncc(C(F)(F)F)c3)CCC2)cc1 1786103345 RGLWRGCHIHMWLS-UHFFFAOYSA-N 457.496 5.617 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/C4CC4)cc3)CCC2)cc(C(F)(F)F)c1 1786160780 MBNIKFWZTKPHMT-RUDMXATFSA-N 453.464 5.291 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccsc4)cc3)CCC2)cc1C#N 1787285918 HWSMILNLORSJSM-UHFFFAOYSA-N 459.571 5.468 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(OCC(C)C)c4)cc3)CCC2)c1 1788661876 IZSAXRANSNOZHC-UHFFFAOYSA-N 498.583 5.058 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Br)cn3)CCC2)cc1 1789453385 YSMXWIFWHNWAAF-QFIPXVFZSA-N 482.422 5.289 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3occc3C)CCC2)cc1 1790519018 COBHKDCEHRCOJL-OAQYLSRUSA-N 481.593 5.195 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCC2)cc1 1790568369 SRNLRJOMCUHGKL-GOSISDBHSA-N 493.991 6.149 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCCc4cccnc4)CCC3)cc2)c1 1790795418 GVFBCMAEAYUPKI-UHFFFAOYSA-N 452.558 5.032 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn(C(C)(C)C)c4)CCC3)cc2)cc1C#N 1792168237 BYAVPOSAZAYTCS-UHFFFAOYSA-N 499.615 5.358 30 20 JKED O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1 1792169895 XYBJRBKZWWHRKV-UHFFFAOYSA-N 462.365 5.545 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792221556 QYUUAHHGHZHWNT-UHFFFAOYSA-N 469.626 5.124 30 20 JKED CC(C)(C)OC(=O)NC1(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)CCCCC1 1792230495 UXRWOIPIEWHCCC-UHFFFAOYSA-N 494.636 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn(-c3ccccc3)c3ncccc13)C2 1798331625 SMUFSDNHIULZKY-IGABQKFOSA-N 468.601 5.046 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1)c1ccccc1 1800740867 LDPNCSJTIQMKIR-NDBXHCKUSA-N 493.529 5.026 30 20 JKED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)c1 1801201969 XTKBAEUDEBSQGT-WKCHPHFGSA-N 479.536 5.032 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@@H]1c1cccnc1 1802502621 DIEITYNCOICKGV-HOYKHHGWSA-N 480.559 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1803217864 HLBUIIMOFHULHD-UODIDJSMSA-N 461.650 5.520 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2ccc(F)cc2F)[C@@H]1c1cccnc1 1803487236 UXHJNWUOCUNGHV-DVECYGJZSA-N 487.616 5.150 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1804209352 JDDWVFWTANYKOA-WNCULLNHSA-N 496.051 5.368 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCc4ccc(F)c(F)c4)C3)CC2)c1 1805203380 IOJJIDUAWJFICK-HXUWFJFHSA-N 479.571 5.069 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCCOc3ccc(C(C)=O)cc3)CC2)C1 1805452327 ZUPSWNKBFXAIKC-UHFFFAOYSA-N 480.649 5.048 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C2)CC1)C(F)(F)F 1805638964 ZEVOKJRTBSNKII-FQEVSTJZSA-N 470.963 5.429 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807837520 SLJCJSSSMSJTDT-LBNVMWSVSA-N 496.655 5.764 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)s2)[C@@H]1c1cccnc1 1808800118 YYURSGGMRAKFAP-QPPBQGQZSA-N 465.663 5.529 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)ccc3F)CC2)C1)c1ccccc1 1809160916 BNLVPEXIUGATOH-RLWLMLJZSA-N 475.608 5.372 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc4c(Cl)cccc4s3)[C@@H]2c2cccnc2)C1 1809443231 YWZORQMKUAGVNB-SBUREZEXSA-N 466.006 5.236 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CC[C@H]3CNc4ccccc4C3)C2)CC1 1809840221 HWSPIFBNUVGXRQ-ILBGXUMGSA-N 463.666 5.051 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1810178615 RHKSIMCFLWKYCJ-LYHRCORUSA-N 473.951 5.101 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810238772 ATOOUBPNPPHVEO-HPZUDSRNSA-N 477.674 5.694 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccnc1 1810504642 GZYRMFSEOLTCBB-XXBNENTESA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1812197804 NHYVDFGLQUBAJG-WMZHIEFXSA-N 477.630 5.314 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)CC1 1812789523 LCNVBTBSSZHEAL-VSRIWNGISA-N 472.633 5.074 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H]1c1cccnc1 1813059453 MCKKFDNRNATLAK-RNWIMVQKSA-N 476.580 5.193 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCc3ccnc(-c4cc(C)ccn4)c3)[nH]n2)C1 1814398850 VRFNGNZTNWGUPB-AREMUKBSSA-N 498.631 5.156 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1815096560 UNBHQJNSEWQJQP-JXQFQVJHSA-N 487.629 5.523 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1815654122 SBQOCGRGJRHSLP-JOCHJYFZSA-N 475.618 5.005 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)cc(C(F)(F)F)c1 1815984219 SXYRHKJGPWASOX-SGSXCFNPSA-N 499.518 5.381 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)[nH]n2)cc1 1817741873 XODJICUPAJJIJF-QPPBQGQZSA-N 477.634 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(Br)nc2C)n[nH]1 1818416062 WSTPQBKWGGHNRL-OAHLLOKOSA-N 494.459 5.235 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)[nH]n1 1819305453 JQYUSLBGFUBJNE-AOMKIAJQSA-N 467.520 5.244 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1819359846 HOCRNXQJNVCOGD-KAOUHBFBSA-N 499.640 5.957 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c[nH]1 1819384132 DRPBZRCHZUBARM-OAQYLSRUSA-N 481.717 5.392 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820229442 PULSHCBMUKBLKV-OAQYLSRUSA-N 466.969 5.884 30 20 JKED CC(C)=CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1820805113 UQWCUSIGOJSOKZ-HXUWFJFHSA-N 473.499 5.352 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1821918758 NNPBQPCDDDAZMW-DYESRHJHSA-N 458.990 5.127 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1822394004 LSWAMEBBHILJBI-JOCHJYFZSA-N 454.530 5.419 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C(C)C)CCC3)n[nH]2)cc1C#N 1823067081 OHPRDRVBACAVOZ-QFIPXVFZSA-N 477.609 5.201 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(-c4cccnc4)cc3)sc2C1 1823151402 TXJFTKYLEXIZCK-VXKWHMMOSA-N 472.614 5.199 30 20 JKED Cc1cc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1F 1823204444 YAKZLLBCCSVWAP-FQEVSTJZSA-N 483.906 5.141 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)[nH]n2)c1 1823211299 LUFXLLXRVYLZFU-BSDZUQITSA-N 459.525 5.053 30 20 JKED CCn1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c2ccccc21 1823211338 CWQSCVZXGLCQSW-HOYKHHGWSA-N 495.587 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)[nH]n2)c1 1823217516 LPEUIPOKMDWDKU-VLIAUNLRSA-N 497.386 5.358 30 20 JKED Cc1cccc(C)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823217732 WZAKZVJHQVCYMC-WMZHIEFXSA-N 455.562 5.273 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)[nH]n1 1823420504 XPKMMPXGTZOGHN-OAQYLSRUSA-N 479.378 5.045 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1823812989 YDSMSALLFXGLBM-DEOSSOPVSA-N 483.534 5.053 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1823886768 OSTWDXINDKXVAP-IBGZPJMESA-N 469.935 5.142 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 1824455547 VXKJTLCVRBGFCS-NXCFDTQHSA-N 466.666 5.411 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc4ncccc34)CC2)c1 1824474368 FVINEAXZLMXPBV-KPURRNSFSA-N 494.639 5.338 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1824501045 OOQVSSNEAMEOPZ-QHCPKHFHSA-N 473.013 5.302 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1824539298 VFPLTGXEALVPAF-UGKGYDQZSA-N 462.656 5.228 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 1824891352 PGWWBJIAWQQFLZ-NLDZOOGBSA-N 491.720 5.287 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)cc1 1826472003 VZLKAUUKMZPPMX-AREMUKBSSA-N 478.036 5.007 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2Cl)CC1)c1cccs1 1826472635 HUFRWJQLICLRKP-NEQMZLFVSA-N 485.049 5.003 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2F)CC1 1827325437 SYNGMQVHRLXBQU-GDLZYMKVSA-N 495.598 5.168 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166469 SFDBVUFMALOXOA-HXUWFJFHSA-N 457.039 5.592 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828191099 BMIHDZPOOSMCET-DEOSSOPVSA-N 478.709 5.717 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)ccc2s1 1828254024 TZPCBAPGLIMZKJ-VWLOTQADSA-N 486.641 5.218 30 20 JKED CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CCC1 1828478486 JPGYUHQWZARJJO-XMMPIXPASA-N 465.638 5.159 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1 1828821860 SPAUJRZYDSTQHD-BDYUSTAISA-N 459.634 5.165 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)CC1 1828830095 KQYCMPQFCDPRCP-PWXPDEANSA-N 464.650 5.487 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(Cl)s2)CC1)c1ccccc1 1829033412 WQUPOLSCCBJBCT-FGZHOGPDSA-N 484.065 5.227 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)CC1 1829415406 VTYKZIDNWWISNA-QFIPXVFZSA-N 463.544 5.102 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cnccc34)CC2)c1Cl 1829690103 KXGWTSCUGSOERV-VWLOTQADSA-N 487.003 5.307 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830447038 CGIOACXYMOGDOI-MHZLTWQESA-N 473.661 5.974 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830476191 HVBACLWLPQMZOH-JPYJTQIMSA-N 464.984 5.620 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)cc1 1830633689 PZBUMGWBODWPJA-QLUGYHCRSA-N 495.545 5.117 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc(C(F)F)c3)CC2)c(Cl)c1 1830720260 GGSSTYDKBXKXGT-JOCHJYFZSA-N 486.950 5.091 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)Oc1ccccc1 1831232796 YEYROAVJZOAQOE-NBGIEHNGSA-N 494.035 5.303 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C(C)C)cc2)CC1)C(F)(F)F 1831598465 CZVILDPJTXSXRV-QFIPXVFZSA-N 450.545 5.091 30 20 JKED COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1F 1832593899 ZEWKSDVAHNUECT-CLOONOSVSA-N 477.580 5.008 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634578 XAKAPPLEVIKNIX-HFZDXXHNSA-N 489.664 5.201 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1844238683 RGADBMLNEGBFIZ-AREMUKBSSA-N 484.596 5.022 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCCCCC(C)(C)C)C2 1845201489 PIDPNODROOZZFN-OAQYLSRUSA-N 477.690 5.046 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10171008 HBZIVESTMPOGFR-UHFFFAOYSA-O 494.061 7.095 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(CC)CC)cc2)cc1 10173511 SMEMKGKVYWIHCV-UHFFFAOYSA-O 462.683 6.446 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 11163931 YJRBZYFOMHBMLW-UHFFFAOYSA-O 451.681 6.618 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1 14739638 XUOWRGSVFKMIGE-UHFFFAOYSA-N 483.033 6.405 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1OC 21120557 YYZYFTSUZQUVJB-UHFFFAOYSA-N 470.598 5.461 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2cccc(OC)c2)nc2scc(-c3cccs3)c2c1=O 21953608 VQPQAKOIXHTNCV-HNNXBMFYSA-N 497.667 5.178 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccc(Cl)cc2)cc1 22129165 ZSKIEMZHZPCMAA-GYCJOSAFSA-N 484.025 5.131 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(C(CC)CC)cc2)cc1 22729117 DKQMOTYNHSRHDW-UHFFFAOYSA-O 461.651 6.636 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nc2ccccc2c1=O 23349139 KLFABDGTQMRQGY-GOSISDBHSA-N 457.555 5.494 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)OCC(=O)Nc1ccccc1SCC#N 23553066 BGFRTIVEARNHOU-UHFFFAOYSA-N 482.565 5.259 30 20 JKED N#Cc1c(F)cccc1N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 26022706 HUWQZTIWWUSJPV-UHFFFAOYSA-N 470.479 5.121 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 32618256 OBGBBZONZUUZHE-UHFFFAOYSA-N 452.358 5.054 30 20 JKED N#Cc1ccccc1CSCCNC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 195687262 ANIAIAFJRNSNAK-XCZPVHLTSA-N 483.637 5.088 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 303130942 IHLWLKALFKPPJF-UHFFFAOYSA-N 482.783 5.115 30 20 JKED N#C[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(OCc2ccccc2)cc1 303244427 LIDAAHLZKZPXOQ-DEOSSOPVSA-N 457.917 5.498 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)c1c(F)cc(F)cc1F 476644488 UQHABIKWVRIEJL-LBPRGKRZSA-N 467.900 5.477 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 487113262 WOXNSZLNSFPLGT-SQJMNOBHSA-N 487.003 6.187 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3nnc(-c4ccsc4)o3)s2)c(C(F)(F)F)c1 487317712 CDBDPYNAXDOBDN-UHFFFAOYSA-N 489.504 5.307 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CSCc2cc(-c3cccs3)on2)cc1 488593473 IXQVGNRQUFUSPF-UHFFFAOYSA-N 475.595 5.920 30 20 JKED C=CCN(C(=O)c1cccc(Cn2nc(C)cc2C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 499317768 RWSYLOKGTIURFN-UHFFFAOYSA-N 473.558 5.413 30 20 JKED Cc1ccc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1NC(=O)c1ccco1 501152777 SETOEJJYBBUPLY-UHFFFAOYSA-N 467.500 6.007 30 20 JKED N#CCCN(CC1CC1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 505186966 BXUIRIZICWKLNR-UHFFFAOYSA-N 453.521 5.052 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1 505618723 BFCQZRIGDIQMKH-VWLOTQADSA-N 496.567 5.162 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1S(=O)(=O)Nc1cc(Cl)ccc1F 508281009 VOQYSYONWCOPJG-UHFFFAOYSA-N 485.968 5.642 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(-n2cccc2)sc2c1CCSC2 508380503 FLDRAPPUNMTAMZ-UHFFFAOYSA-N 472.595 5.948 30 20 JKED CCN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)[C@H](C)c1ccc(C#N)cc1 509563845 JGHGRVCSJXWWOH-OAHLLOKOSA-N 466.335 5.389 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510021983 AKTGJUSBLDZATF-JXFKEZNVSA-N 460.990 6.830 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3nccs3)cc2Cl)cc1 510306720 USYWROMMCPDBEK-QFIPXVFZSA-N 488.956 5.305 30 20 JKED C[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 511554089 LKIRBFXKUZPGHR-ZHRRBRCNSA-N 470.953 5.326 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 513655845 UXYROYGVEORTQA-SFHVURJKSA-N 476.330 5.403 30 20 JKED C[C@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(=O)Nc1ccc(C#N)c(Cl)c1 514326603 XUVWFNZHHOTINT-ZACQAIPSSA-N 499.040 5.046 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3I)n2)cc1 514542489 RARSBDRHYDZQSP-UHFFFAOYSA-N 465.703 5.192 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514943103 QXZFCVFIERJJDW-UHFFFAOYSA-N 474.546 5.019 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccccc1F 515162471 DDABZZPWOCEHGN-MRXNPFEDSA-N 452.555 5.372 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1sc2c(c1C#N)CCCC2 515599016 WNJQVMPPMSLEMV-UHFFFAOYSA-N 473.982 6.166 30 20 JKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 515693742 FCJOPDJBGWSOHG-UHFFFAOYSA-N 457.530 5.163 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2Cl)cc1 516005066 RSVVKFYHUQWANY-UHFFFAOYSA-N 457.873 6.102 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 516293175 DEJJZHTZJCYJHL-UHFFFAOYSA-N 483.446 5.155 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)c1 516402435 YVNTVQYUWJNPBO-UHFFFAOYSA-N 463.559 5.039 30 20 JKED C=CCN(C(=O)Nc1cccc(CSc2ccccn2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518255400 BNLJHWSDHLMHNP-IBGZPJMESA-N 471.590 5.131 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 519186724 OYCLVSCHXVKOAB-VWLOTQADSA-N 470.960 5.942 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(Cl)c1 519438300 CLURSHQTXYQKCF-MRXNPFEDSA-N 469.916 5.571 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(Br)cc2Cl)cc1 520052299 NPYUHZRATWXZNC-UHFFFAOYSA-N 484.781 6.069 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 520410046 MKQPQJDZYLQAST-XMMPIXPASA-N 476.945 5.275 30 20 JKED C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 521860722 ILKSZRKRJLRVPB-IBGZPJMESA-N 457.530 5.203 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 524383165 RDDPAADCTVZSKI-FQEVSTJZSA-N 453.546 5.238 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 553320024 MWCGTGXWPCAHDL-NVXWUHKLSA-N 467.513 5.003 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 560856657 FRXDEFBGRVVPGQ-PWHSHALESA-N 473.598 5.468 30 20 JKED C[C@@H](Sc1ncccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)N1CCCC1 587988750 NKRGGWZTWSTTFG-BEFAXECRSA-N 497.045 5.452 30 20 JKED C=CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590614171 ZTXDIYQZWFCDNV-HXUWFJFHSA-N 484.965 5.158 30 20 JKED N#Cc1ccc(OCc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@H]3CN(Cc5ccccc5)C[C@H]43)c2)cc1 594654818 DKETWZJZIJABAQ-OKCNIUFZSA-N 477.608 5.120 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(Cc3ccccc3)CC2)c1 603464170 JEHAGUQZEZDDLF-UHFFFAOYSA-N 469.610 5.384 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cn3c(COc4ccccc4)nc4ccccc43)cn2)c1 603622768 YHQIZHKDYJFMLN-UHFFFAOYSA-N 475.508 5.313 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 603646735 ORISWHMFIXXMAH-UHFFFAOYSA-N 463.925 5.223 30 20 JKED Cc1cc(-c2noc([C@H](C)Sc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)n2)ccc1F 603722252 CHMSJAVINPJBTK-AWEZNQCLSA-N 474.521 5.139 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cs2)cc1 603763931 CNNDOWYHGSEXHU-UHFFFAOYSA-N 456.527 5.449 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(CN4CCCCCC4)CC3)c2)cc1 603828680 SGNZQPPXWMCCHO-UHFFFAOYSA-N 460.622 5.452 30 20 JKED Cc1sc2ncn(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c(=O)c2c1C 604026936 MTRXWXAVBTXOMD-UHFFFAOYSA-N 464.934 5.031 30 20 JKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604522818 BKNNQTUWJIGZNO-LBNVMWSVSA-N 469.585 5.963 30 20 JKED C[C@H](CNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1c(Cl)cccc1Cl 608798002 AKQCBQJHXATZFD-MRXNPFEDSA-N 482.367 5.302 30 20 JKED CC(C)C[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 608822529 FNRKUNONBODCRO-QFIPXVFZSA-N 496.032 5.404 30 20 JKED N#Cc1cc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1OCC(F)(F)F 608841238 XSASXKOHYZWMFD-HNNXBMFYSA-N 489.429 5.100 30 20 JKED Cn1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C2CCCCC2)n1 608847604 SJVOJQMQYMUZLS-UHFFFAOYSA-N 473.524 5.658 30 20 JKED C[C@@H]1CCc2c(sc3nc(SC[C@@H](C#N)CCC#N)n(-c4ccccc4F)c(=O)c23)C1 608854580 OBRRVADOPVXZEH-HUUCEWRRSA-N 452.580 5.247 30 20 JKED COc1cc([C@H]2CC(c3cccs3)=NN2C(=O)COc2ccc(C#N)cc2C)ccc1OC(F)F 608886453 LZUQATSKVWIIOZ-LJQANCHMSA-N 497.523 5.295 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2oc3ccccc3c2CSc2cccs2)c1 609067183 WJWVRWBAZDRDCW-UHFFFAOYSA-N 456.495 6.512 30 20 JKED Cc1ccc(C)c(Oc2ccc(CNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cn2)c1 609150280 LOGMCVQJKSPFPS-UHFFFAOYSA-N 456.546 5.115 30 20 JKED CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1[N+](=O)[O-] 609377291 RXSWYENKYPIVDI-MRXNPFEDSA-N 491.594 6.052 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCc1nc(O)c2ccccc2n1 609378353 DLRIYSZKQONTPI-UHFFFAOYSA-N 460.481 5.321 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1)c1ccccc1 609420940 LRIYMXVZNRYFOZ-RUZDIDTESA-N 459.977 5.467 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1 609433912 QVKBDDKDMAWSBJ-UHFFFAOYSA-N 454.530 5.039 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccccc1 644193053 LZBVDRUGZSPESP-UHFFFAOYSA-N 458.591 5.055 30 20 JKED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 725730167 PIYQHJOFLYFAIL-QHCPKHFHSA-N 496.596 5.408 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc3c(cc2Br)OCCO3)cc1 726071733 QFIUTMOMDRQKQE-UHFFFAOYSA-N 496.336 5.465 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1ccc(SC(F)F)cc1 726319354 HAFGXUVDCRDEBH-MRXNPFEDSA-N 482.468 5.078 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 726396451 FBUKHKUNKLMVDV-IFXJQAMLSA-N 497.514 5.230 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)c(Cl)c1 726399241 MXZYAWKYTSWDQD-BFUOFWGJSA-N 481.952 5.004 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(C(N)=O)cc1 726401668 BPLKVLVDVLHLNY-QHCPKHFHSA-N 488.613 5.089 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2cccnc2)c1 726409825 DQZLUNDTUNLEAA-HXOBKFHXSA-N 489.000 5.438 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CCC(C)C)C1=O 726421168 LNPABRYUFHBKDP-AJHBCDHZSA-N 459.637 5.193 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2CCCCC#N)c1 728780611 VJHABNWNZWLYJK-QHCPKHFHSA-N 473.602 5.336 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c1 728780708 XJCPVADPXNHMKO-OAQYLSRUSA-N 452.555 5.042 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)cc1 730461919 UNYIQEKZGSBFRW-FQEVSTJZSA-N 457.983 5.170 30 20 JKED COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c(F)c2)c(F)c1 730638059 VJTINHAENXAPCD-UHFFFAOYSA-N 468.481 5.052 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1)c1ccc2ccccc2n1 730685463 GIIRMUVXTCESLM-DFBJGRDBSA-N 475.317 6.133 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCCc2c[nH]c3ccccc23)C1=O)NC1CC1 730719485 FXJBASRJBYKACS-QFIPXVFZSA-N 481.021 5.054 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)cc1 730728894 GYBYBXUQTSPMIC-NRFANRHFSA-N 498.992 5.276 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)c1 730945502 SGCAZYZEHQTLLF-WCDPWEQKSA-N 494.642 5.303 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c1C 731307619 IQKPTCLDVJWIQF-NRFANRHFSA-N 465.600 5.231 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc3[nH]c(C)c(C)c3c2)c1 743515159 YQUMHSJAJQLZAG-QHCPKHFHSA-N 478.593 5.033 30 20 JKED COc1ccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OCCCC#N 747361618 RWMZXAAPNJROCW-VIZOYTHASA-N 490.581 5.383 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cscn3)C2=O)cc1 747601282 FVUAKWSOCJMUCJ-JOCHJYFZSA-N 494.642 5.401 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 748251653 WRBODVZIJIYWAA-SFHVURJKSA-N 473.664 5.123 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)c1 748481047 CXGXFTJIJWDERZ-QGZVFWFLSA-N 486.881 5.303 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O 799217810 QYXZGONGPYQNAF-MRXNPFEDSA-N 455.889 5.171 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cc(C)cc(C)c2)cn1 837641574 XLZCSQQTFIWTLD-QFIPXVFZSA-N 492.576 5.007 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c1 837778943 KMZLBTRUJKWCJM-NRFANRHFSA-N 467.591 5.665 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)c1 838278178 SHRBVBFYNUWQPI-XMMPIXPASA-N 478.662 5.082 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 839415182 FLPJUHNXQLCKCM-UHFFFAOYSA-N 490.589 5.140 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 893736678 YUYWEPRDKJACOU-UHFFFAOYSA-N 458.971 5.036 30 20 JKED N#Cc1c(Br)cccc1OCc1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 904490710 XEAIZMSGUUAFDC-UHFFFAOYSA-N 486.329 5.348 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OCc2cccnc2)cc1 915772765 QJKRGCWUXZSWMF-PIKZIKFNSA-N 490.563 5.132 30 20 JKED COc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1OCc1ccc(Br)cc1 915984123 AAFZBXKJTQPZLK-LDADJPATSA-N 499.382 5.090 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)cc1 916212677 PNKFJJLESPDDKW-JOCHJYFZSA-N 479.005 5.512 30 20 JKED CCOc1c(Br)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OC 916546390 OQVULCXGKJAATC-UHFFFAOYSA-N 481.803 5.276 30 20 JKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)CCc1c(C)nc(O)c(C#N)c1C 916879003 FZIQXNHMUBTINX-UHFFFAOYSA-N 495.535 5.228 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Br)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916887036 LRUBRDAGFUBPRJ-ZDUSSCGKSA-N 489.725 5.144 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)o1 916887953 QILXOTWKLQUYEV-KRWDZBQOSA-N 472.469 5.143 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc(CC(C)C)cc1 916898909 GFVAVUIJOQIKKZ-LJQANCHMSA-N 454.954 5.166 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916899271 JBNSGMUJKCSMQS-QHCPKHFHSA-N 463.541 5.020 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)s2)cc1 916900048 LZXUIOPVKXVTMF-KRWDZBQOSA-N 483.977 5.449 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 916912372 YZBMAIQSPDCBIT-IBGZPJMESA-N 473.916 5.220 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc(-c3ccccc3)nc21 916945271 ULKULRFTCVUHQP-LJQANCHMSA-N 478.339 5.386 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)cc1 916949962 QVVDXFRZFPZFEK-UWJYYQICSA-N 469.570 5.470 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 916955738 UCSQJPSSWRVIFA-VFNWGFHPSA-N 496.430 5.976 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996394 LZIUKDZZWICPSX-LWJUFGILSA-N 468.159 6.362 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1nc2cc(Cl)ccc2s1 917044506 SXWJFSXLJUJQCU-KRWDZBQOSA-N 491.922 5.697 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)cc1 917667480 VLTZPDUIFNXCPQ-CCDWMCETSA-N 490.673 5.397 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c(C)c1 917674208 PJPDYFJOGFDVLI-CQOQZXRMSA-N 494.636 5.030 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccsc3)C2=O)c1 917702277 DXSCFSBBBSLCOK-JOCHJYFZSA-N 474.611 5.397 30 20 JKED C=CCN(C(=O)c1cccc(N2CCOC2=O)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 918552839 XASIYAMQABLNDV-UHFFFAOYSA-N 481.577 6.267 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COC(c3ccccc3)c3ccccc3)n2)cc1 920141573 FMVZQMMUVBVKGK-QHCPKHFHSA-N 454.551 5.801 30 20 JKED N#C[C@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nc(-c2ccncc2)cs1 920267896 LKJGARAZWZRKQL-OAQYLSRUSA-N 473.941 5.345 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)SC2=Nc2ccccc2C)no1 920353930 WUYUIFOFAYKDMP-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(C(C)C)cc1 920354172 ZTFROWWNGFQIJP-XMMPIXPASA-N 490.629 5.253 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 920838985 AHXBQPJDFJPNEA-UHFFFAOYSA-N 475.288 5.044 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 920986518 HNQDBTUFUSLVIS-QHCPKHFHSA-N 489.597 5.143 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\Cc3c(F)cccc3C2=O)cc1OC 921263986 MXXDHCATPMTTRE-MHWRWJLKSA-N 481.907 5.336 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)C[C@@H]21 1783540391 ALFWXIOMHQGHCC-PTLVVNQVSA-N 485.024 5.186 30 20 JKED Cc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)n1 1785825166 HHRPMVVXMOWDKM-BUHFOSPRSA-N 470.960 5.376 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCC2)cc1 1786104323 MFOGZAKAZJALTD-UBRQYEGLSA-N 493.648 5.002 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](F)c3ccccc3)cc2)CCC1 1786612009 SGCOJIKHWWXROC-GOTSBHOMSA-N 495.595 5.301 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1786678441 WSHSEFRMRSOMGP-UHFFFAOYSA-N 453.995 5.488 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(OC)cc4)CCC3)CCC2)cc1 1786679597 YRSGSCRZHOTFCI-UHFFFAOYSA-N 464.631 5.170 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5c(c4)OCO5)cc3)CCC2)c1 1787801690 BCWWYIFEQPNKNR-IBGZPJMESA-N 481.552 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)cc2)CCC1 1789214249 GVEYRGCZGQWOKX-ZTCOLXNVSA-N 495.664 5.392 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1 1789315777 DZJVZLXSEJOPJX-UHFFFAOYSA-N 472.665 5.362 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C(F)(F)F)cn4)CCC3)cc2)cc1 1790285672 OJCCDJGIHCNOEH-UHFFFAOYSA-N 492.501 5.353 30 20 JKED COc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)n[nH]2)cc1 1790287728 PURCBOZORJWXJS-UHFFFAOYSA-N 491.551 5.018 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)CCC3)cc2)cc1 1790288575 OQJVLMUZMAPCCX-MYKRZTLLSA-N 490.607 5.684 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791402832 HXHUELFPBDBEBZ-JOCHJYFZSA-N 495.664 5.370 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4[nH]ncc34)CCC2)cc1 1791729081 SEEAGEISHTWLGE-UHFFFAOYSA-N 493.405 5.267 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)Cc3cnc(C)s3)cc2)CCC1)c1ccc(O)cc1 1791839991 KVJLUWJQVOKARP-OAQYLSRUSA-N 487.625 5.031 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CO)c(F)c4)CCC3)cc2)c1 1792123839 CUQLMASCTQQOMY-GOSISDBHSA-N 471.532 5.007 30 20 JKED Cc1cc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)no1 1792124882 NLBSIDPFPSKKTQ-DXRVJIQQSA-N 454.530 5.071 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1Cl 1792142999 ZOEZGSWFKPBWDN-UHFFFAOYSA-N 473.960 5.476 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#Cc2ccc(Cl)cc2)[nH]c2c(Cl)cccc12 1792942634 BXTJONORCCVSDB-ACDBMABISA-N 480.395 5.087 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1 1800813574 AUNNDNRCMCNWOV-NUNAXRQHSA-N 499.533 5.040 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)cc3)CCC2)c1 1801550181 ANHCGLRPQJBAOY-TZAMREQXSA-N 476.020 5.341 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)cc1 1802139508 UUPWTFOYPFTIEA-KOUNCHBCSA-N 496.438 5.168 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ncsc23)[C@@H]1c1cccnc1 1802495837 FZJCYGVEYHGJTI-SIKLNZKXSA-N 462.619 5.003 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1803086676 LKGGARBIFZKWBV-LBNVMWSVSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1803089180 QVINQQAGAHLPSB-OFVILXPXSA-N 463.647 5.110 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@@](C)(OC)c3cccc4ccccc34)C2)CC1 1804801462 RSABXQXZTWLSCL-DWACAAAGSA-N 462.634 5.145 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1809093988 GKYLUQMLOKLQMV-RPLLCQBOSA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(O)c3cc2OC)[C@@H]1c1cccnc1 1810183908 YOXJHIIGJNODCE-SXDGJLEOSA-N 499.611 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3scnc3c2)[C@@H]1c1cccnc1 1810498721 PITNBSFIDRMUMG-NFBKMPQASA-N 462.619 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3c(CC)nc4ccc(Cl)cn34)C2)CC1 1810754045 DTKXLZSXARXRQP-UHFFFAOYSA-N 483.056 5.163 30 20 JKED O=C(NC[C@H]1CCN(C(=O)CC2CCCC2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811251524 LOPROPJBDPPLBT-BVRKHOPBSA-N 491.635 5.381 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1811304786 PVJXRJQVCBSQIN-CJFMBICVSA-N 497.624 5.161 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c1Cl 1811419526 HXFIGZFGKCTORR-GAJHUEQPSA-N 497.357 5.033 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811705500 VGBAPXFPRYYBAA-DPZBCOQUSA-N 486.015 5.252 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@H]1c1cccnc1 1812054484 OELWWJNOENWKNN-NEKDWFFYSA-N 487.550 5.150 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)[C@H]1c1cccnc1 1812592651 YFKJWNPSQZEHCY-HTLVZCCDSA-N 492.623 5.533 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1813229577 UNPFYORPHQSDEN-RNJDCESWSA-N 480.052 5.374 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)cc1 1814381978 ZNADALBFFZCOCC-FQEVSTJZSA-N 497.933 5.152 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)[nH]n1 1814439834 FTOMGDMMHDBTMV-KRWDZBQOSA-N 464.397 5.410 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1815246462 LSBQSOHWRZRGLC-AEFFLSMTSA-N 488.963 5.342 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3c(Cl)cccn23)n[nH]1 1817781811 MGNVSRLLSCXRGO-SFHVURJKSA-N 468.989 5.009 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114562 IXZRAIGALJPZAO-GNISGLHKSA-N 494.617 5.415 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818773201 FROWDEUDBTZUFG-KRWDZBQOSA-N 475.039 5.503 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1)c1cccs1 1819027546 FXIKEDNSMHIBDF-LQYUOIDQSA-N 496.639 5.492 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)[nH]n1)c1ccccc1 1819520440 ICMOSJXETWVEMR-XNMGPUDCSA-N 497.643 5.244 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1819554896 SMVYTWRTWVOKIJ-LJQANCHMSA-N 451.596 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)n3)n[nH]2)c1 1819751249 NOHRPPYPYDPNBY-FOIQADDNSA-N 496.493 5.070 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cnc2OCC)n[nH]1 1819877966 WJIRPWQQTGGKEQ-LJQANCHMSA-N 474.005 5.155 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc(-c4ccccc4)s3)n[nH]2)c1 1819931859 OHEISZSGHLWCNV-OAQYLSRUSA-N 482.569 5.025 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c1Cl 1820217276 GSGWKUTVWOXAQW-IBGZPJMESA-N 486.334 5.347 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cc(Br)ccc3c2)[nH]n1 1821925165 NHXAOOLTZLZCPZ-QVKFZJNVSA-N 496.409 5.239 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)[nH]n1)C(F)(F)F 1821990983 HLFSSOIXWZBVMF-IBGZPJMESA-N 460.500 5.032 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1822391757 IUGOGUAMDJVAHK-JOCHJYFZSA-N 485.613 5.729 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823216410 TXWVZFYDMXZJRQ-VGSWGCGISA-N 459.525 5.104 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(Cl)cc3Cl)[nH]n2)CCC1 1823380884 RFGCTEOSPYSFLR-IBGZPJMESA-N 474.392 5.035 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)cc1 1823686282 VELSQCVJFLETFL-QPTSNOEKSA-N 495.667 5.232 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(OC)ccc3o2)CC1 1824142453 QQMCFZDHNPHVKD-XMMPIXPASA-N 464.606 5.443 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1824541678 IBIDDEHMXWPGLC-UNMCSNQZSA-N 462.059 5.009 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCCC2)CC1 1824760218 HFNVOFAKQANCTB-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1824960811 WQADNVUIGNOJRP-JOCHJYFZSA-N 483.505 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)CC1 1825099931 FNNQIZVOAPIJQR-QHCPKHFHSA-N 493.614 5.645 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1825947528 PRBLVWAJBPWWKS-SANMLTNESA-N 489.660 5.623 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)CC1 1826321999 QIUKCBOCQHIYIX-XMMPIXPASA-N 489.582 5.900 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1826510979 VDUITDMVVWSBMN-XMMPIXPASA-N 483.534 5.053 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccsc2)CC1)c1ccccc1 1827163063 AAUODTSFIPPNPL-FTJBHMTQSA-N 462.659 5.108 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cc(O)ccc4n3)CC2)c1 1828094062 CEIHYKFHNNDCKZ-WTYVLRPYSA-N 496.611 5.115 30 20 JKED CN(C)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828906828 JUGDTGIEKVDLTK-SANMLTNESA-N 481.757 5.037 30 20 JKED COc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1C 1828908937 VUIOUGKVHAKBCJ-RUZDIDTESA-N 482.741 5.288 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 1829069056 HYAAKUKPLYEEFV-XMMPIXPASA-N 463.622 5.567 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2OC)CC1 1829069862 BUPQZDKRXFUJHT-RUZDIDTESA-N 484.681 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ncccc23)CC1 1829070667 LPUPGWBEXANCIQ-DEOSSOPVSA-N 464.654 5.108 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829821973 PFOIWUYXKQVMOJ-RLWLMLJZSA-N 489.664 5.201 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830037927 ZDSCAJOLOPLNFO-DEOSSOPVSA-N 499.533 5.133 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc4cccnc4cc3F)CC2)c1 1830290125 UXBCHONLOCMZID-NDEPHWFRSA-N 498.602 5.030 30 20 JKED O=C(CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601928 MRXNHKHSGCKXBT-NDEPHWFRSA-N 454.614 5.120 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1830631905 RFYCJFSSFNSXSN-RUZDIDTESA-N 498.652 5.423 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)cc1 1830632512 PNYGAGIGMGSDHK-HHHXNRCGSA-N 455.602 5.177 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1830633264 LHJQJUAXSPUVSE-QFIPXVFZSA-N 485.962 5.231 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c(Cl)c1 1830724576 UPMLXXVHOIWZDO-OLWOTWMISA-N 468.041 5.415 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1830766270 DJNIRDFDKPDBGX-QFIPXVFZSA-N 485.415 5.116 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)S)CC2)c1 1830778495 XEAOWJVHNLUTQX-IERDGZPVSA-N 481.500 5.124 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 1831297755 OVLHFQQBCDEJCK-VWLOTQADSA-N 497.561 5.362 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831308132 QJYFXPZAZYGNST-QHCPKHFHSA-N 463.449 5.349 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)S)CC1)c1ccc(Cl)cc1 1831836701 LBEJEZULUMLZHZ-HSQYWUDLSA-N 451.076 5.018 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1)c1ccc(O)cc1 1831921386 OISOUAJMLLVYGH-LADGPHEKSA-N 488.619 5.190 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1831926952 HNAQVRVFKWEKAN-ZLZBJJAKSA-N 498.614 5.255 30 20 JKED COc1ccc(F)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832604628 RBNKPCKGLPSUKW-CLOONOSVSA-N 477.580 5.008 30 20 JKED COc1cc(C)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635654 NMYAYLGINWXOAN-QFQXNSOFSA-N 473.617 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)CC1 1832666128 SXKSZWFVUZBPCG-RBBKRZOGSA-N 459.030 5.350 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1)C(F)(F)F 1832962529 RFTLHRDZPWJILO-WCYCAPIHSA-N 473.539 5.228 30 20 JKED CC(C)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#Cc4ccc(Cl)cc4)CC3)CC2)cc1 1836648969 SOLQDNYYZBZRFH-UHFFFAOYSA-N 493.047 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)CC1 1837475977 YORKPDUUJCUTFG-HSZRJFAPSA-N 470.654 5.266 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)CC1 1838222398 UZFRVXJCYOOLFB-QFIPXVFZSA-N 484.637 5.421 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)CC1 1838373617 ZUSDVJARBUJUSR-RUZDIDTESA-N 496.051 5.269 30 20 JKED COc1ccc(-n2c(SCC(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2Cl)cc1 8752759 ZHOAWVSKWXHXOX-UHFFFAOYSA-N 482.009 5.031 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 14682556 NQRWCDJLYZHARA-UHFFFAOYSA-N 471.586 5.242 30 20 JKED Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 22700021 SKLMZLXAGPLVFQ-UHFFFAOYSA-N 473.526 5.235 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)cc2C)cc1 22729507 SOTJQDRYBNAOHL-UHFFFAOYSA-O 467.605 6.824 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2cccc(Br)c2)[n+]2ccc(N(C)C)cc2)s1 22732626 DUMVQJCUXICOQG-UHFFFAOYSA-O 475.457 5.223 30 20 JKED CC(C)n1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc(Cl)ccc2c1=O 26031164 VKKBPMORWFRPJX-SFHVURJKSA-N 495.029 5.723 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 26820774 IMKPFKYPBYCUBU-CQSZACIVSA-N 485.631 5.548 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(CC)cc2)cc1 28793694 HFEVXTNNPMSAIC-UHFFFAOYSA-O 462.639 5.687 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OC 487317184 DZMDDNNWXYMYJX-UHFFFAOYSA-N 472.364 5.028 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)s2)cc1 487382995 AYVFTKKGXZWYHC-UHFFFAOYSA-N 456.502 5.249 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-n3ccnc3)c2)nnc1-c1ccc(Cl)cc1Cl 500733387 YFCAZTSDWYFAMB-UHFFFAOYSA-N 485.400 5.354 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCN1C(=O)CSc2ccccc21 501141674 JGHXYCXNGDBAMH-UHFFFAOYSA-N 459.546 5.068 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCc1ccc(OC2CCCCC2)cc1 507111475 QNMJEEAFLRLBHN-UHFFFAOYSA-N 484.556 5.020 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccoc1C 510321419 HKUWWYXOPKILGY-LJQANCHMSA-N 477.417 5.795 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1 510581376 YGFSKGMQUVKZNU-GDLZYMKVSA-N 461.565 6.854 30 20 JKED CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H](C)c1cc2ccccc2o1 510641752 UGODXSYQVPWXAF-GOSISDBHSA-N 452.514 6.172 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 510857257 MWASBQNWZZUUTN-UHFFFAOYSA-N 482.584 5.313 30 20 JKED CN(C(=O)c1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1Cl)C1CCCCC1 511015299 LQXKPFAKXCDKQD-UHFFFAOYSA-N 498.002 5.110 30 20 JKED CC1CCN(c2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cn2)CC1 511304492 IXFNZJXXSLDIGT-UHFFFAOYSA-N 469.589 5.285 30 20 JKED CCOc1cc(Br)c(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1OCC 511588086 YOLSTJGDKCDNOH-OAQYLSRUSA-N 461.356 5.160 30 20 JKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CSc1ncc(-c3ccc(Cl)cc3)o1)CCCC2 512078391 MBEGRKFJVZIHRP-SFHVURJKSA-N 497.020 5.457 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 515959743 ZIWPITIBDIZABE-UHFFFAOYSA-N 468.557 5.307 30 20 JKED COc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 516015294 GIEGDNLEPKLHJR-INIZCTEOSA-N 463.921 5.171 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)n2)cc1 516270442 YWLCZBLCEJSYEX-KRWDZBQOSA-N 469.353 5.801 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCOc4ccc(F)cc43)cc2Cl)cc1 516710752 RCVPLICDWSIIEJ-NRFANRHFSA-N 479.895 5.112 30 20 JKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 517132108 WVBDPRVDUBOCIR-UHFFFAOYSA-N 475.976 6.174 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccc(C)cc4)c4c3CCC4)n2)cc1 518516684 SAXWTBGHVYFAEK-NRFANRHFSA-N 454.555 5.292 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 519440828 YVKKMJZSEYEWLX-UHFFFAOYSA-N 475.536 5.278 30 20 JKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 519488799 RFMZUZVUQUPRAV-KRWDZBQOSA-N 458.949 5.130 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)cc1 520558015 YUDKVLUVXMLHID-ZEQKJWHPSA-N 473.529 5.019 30 20 JKED C=CCn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1[C@@H]1COc2ccccc2O1 522632417 JWPUMCXVEDLUGP-DEOSSOPVSA-N 472.570 5.243 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 553122589 IGDOPONBBXDDEU-RTBURBONSA-N 491.588 5.472 30 20 JKED C=CCN(Cc1csc(COc2ccc(Cl)cc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 557726834 YADBGKPREMRVIG-QGZVFWFLSA-N 466.998 5.100 30 20 JKED C=CCn1c(SC[C@H](O)COc2ccc(C(C)=O)cc2)nc2scc(-c3ccccc3)c2c1=O 588379822 NHKGGIJUOQGUTP-HXUWFJFHSA-N 492.622 5.046 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2onc(C)c12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590792438 SGLQEFUAPFJKEW-UHFFFAOYSA-N 461.503 5.273 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)s2)cc1 602230316 UDGYBDXQWRYVEN-UHFFFAOYSA-N 484.528 5.929 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)CC1 603591014 CYTNJVMXXOYWTQ-KNTRCKAVSA-N 491.551 5.014 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)cn2)c1 603622818 ZPYDCELXDIEHTL-UHFFFAOYSA-N 494.894 5.452 30 20 JKED CC(C)(C)[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)c1cccs1 603908351 PLBPWCVKXULWOD-HSZRJFAPSA-N 488.638 5.315 30 20 JKED Cc1nc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)sc1Cc1cccc(F)c1 603974526 YNABUVIXMRFPLZ-UHFFFAOYSA-N 491.548 5.156 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(C(F)(F)F)c2)cc1Cl 604131046 XIZXVAYWNVDZEI-FQEVSTJZSA-N 471.866 5.269 30 20 JKED C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 604325565 LZXUXGUPTSUAHR-FQEVSTJZSA-N 482.609 5.266 30 20 JKED CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n(-c2cccc(Cl)c2)n1 604523907 GMYZPIQHCWDKPT-UHFFFAOYSA-N 485.009 5.153 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 608862519 DRCKMHPTCBTHQB-AREMUKBSSA-N 493.529 7.110 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1I 608916100 JLBSOAPOZHAALM-UHFFFAOYSA-N 498.162 5.368 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)c2)cc1 609209245 GJECRHCYTXMQHC-GOSISDBHSA-N 475.936 5.282 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 609438386 LXNZBYTWVZMEEX-UZUQRXQVSA-N 479.552 5.398 30 20 JKED COc1ccc(CN(C)C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F 612805640 KWWHDHVJVRSVLN-VXGBXAGGSA-N 478.380 5.348 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)cc1 614999930 UEQVHKGBROWPKQ-UHFFFAOYSA-N 473.602 5.526 30 20 JKED CC(C)NC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 642281814 LIBZNXSNHPLHBG-LJQANCHMSA-N 452.967 5.161 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cc1 726409473 BDVIQZPTGHTCHK-ZCYQVOJMSA-N 477.630 5.225 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 726941498 BCNYIGWVGOXLSO-UHFFFAOYSA-N 474.611 5.552 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CCC2)cc1 727040159 PAXTWIDCNPOLJP-DEOSSOPVSA-N 457.961 5.172 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)c2)cc1 727626586 DEAPCTGYMVVRQL-QHCPKHFHSA-N 474.944 5.402 30 20 JKED CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728029368 PLHNTPDGNDHDDL-UHFFFAOYSA-N 459.933 5.416 30 20 JKED CCOc1ccccc1[C@H](CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)NC(C)=O 728411637 KRIRTVGWSBERFG-NNLIFQQMSA-N 491.657 5.453 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2scnc2C)c1 729145296 JXFYTFGVAWHNQN-NRFANRHFSA-N 494.642 5.183 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1OC 729428940 ZHZXYNIXSRSDQA-LJQANCHMSA-N 463.515 5.066 30 20 JKED CCCCCCCCc1nnc(NC(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)s1 729547671 NIKKVUMFYHSPKX-UHFFFAOYSA-N 457.644 5.210 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 729631755 LPQDFCNNHBJEQK-NRFANRHFSA-N 452.555 5.094 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)no2)cc1 730858637 OZCFUKANDCKPEG-MRXNPFEDSA-N 471.435 5.161 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944507 XJARNMHYADSRDB-MBSDFSHPSA-N 476.577 5.559 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2c(F)cccc2F)n1 731077954 QDNBHESMHYHLFT-ZDUSSCGKSA-N 473.526 5.278 30 20 JKED N#C[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1cccc(Cl)c1Cl 731196081 WRULSZOPVMIOGT-VGVSSDJJSA-N 496.466 5.417 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccc(C)s2)cc1 731305960 QQXSADQSCQGVFR-KSFYIVLOSA-N 495.626 5.492 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 744738673 FHUQTYVOKDQUEA-UHFFFAOYSA-N 457.534 5.257 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc3cccnc23)cc1 744993755 NOIVGZSFHQGMON-QHCPKHFHSA-N 472.614 5.159 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc3cccnc23)C1=O)NCc1ccccc1 744996569 CVRXJHJNCVSAQT-XMMPIXPASA-N 498.583 5.212 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 746696528 ORPWTNBBUFSPPG-OAQYLSRUSA-N 475.561 5.050 30 20 JKED CCn1c(-c2cc(-c3ccc(C)cc3)nc3ccccc23)nn(CN(C)C[C@@H](C)C#N)c1=S 746706971 SPLWVEIGDBOIHS-IBGZPJMESA-N 456.619 5.674 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cscn2)C1=O 747602133 JCFQHWKYTRPKEP-FQEVSTJZSA-N 496.017 5.137 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 749134891 DQTHNGAFNKOAQJ-DHZHZOJOSA-N 485.397 5.055 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 799212995 MFHLMKKGWLKMCN-GOSISDBHSA-N 496.803 5.249 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CCN(C3CC3)CC2)C1=O)Nc1ccccc1 837285762 QJZSBVOXSXUEQY-AREMUKBSSA-N 498.652 5.427 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cccs2)cc1 838099323 NGZKXVLOACXXEQ-JOCHJYFZSA-N 495.626 5.316 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1ccccn1 838519710 OBWVQMZXCJNHHX-NYHFZMIOSA-N 496.539 5.090 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(Cc3ccccc3)no2)c1 904319627 GKTXQSBUOMOEEK-UHFFFAOYSA-N 465.962 5.362 30 20 JKED CC(C)CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc(C#N)cc1 914510439 LSFXGVLMWKFVPC-MOSHPQCFSA-N 469.657 5.290 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914537714 BWCIERIQCSJANB-HXOBKFHXSA-N 461.587 5.054 30 20 JKED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)c1ccc(SC2CCCC2)cc1 914703489 SAVSMIUZBPHZDT-SXSDINLZSA-N 465.040 5.135 30 20 JKED N#CC(CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1 914887726 NBMJWYCQCLEVSD-QHCPKHFHSA-N 470.544 5.121 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)n2)cc1 915099922 GSIIBUSGEYZGSP-JYLQPTBZSA-N 455.583 5.247 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 915577723 HURMSCNUDFDKMB-UHFFFAOYSA-N 488.352 5.283 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)c(OC)c1 916217078 DRSGTNKVVZGSOK-IBGZPJMESA-N 494.400 5.133 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 916217423 MXKSJXNDNUHQFT-LJQANCHMSA-N 480.417 5.380 30 20 JKED COc1ccc2c(C)c(CCC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc2c1 916911941 YNLWAFCUTOBGCN-HSZRJFAPSA-N 496.519 5.183 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916938708 MNLNQQFROWRMCU-HNNXBMFYSA-N 473.888 5.202 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916944436 DOEGLFVMRWOOLF-AWEZNQCLSA-N 469.168 5.992 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 916955222 NILNPQWWGZMNBG-IERDGZPVSA-N 477.586 5.231 30 20 JKED C=CCn1c(SC[C@H](O)c2ccc(F)c(F)c2)nc2scc(-c3cccs3)c2c1=O 916976833 ZQDDLJKFPSOXHA-INIZCTEOSA-N 462.568 5.476 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997554 WJKKAQCVFDSADW-YJBOKZPZSA-N 490.437 6.050 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)Cc2csc3ccccc23)c1=S 917454211 FBTDLVYPUTXPAN-NRFANRHFSA-N 464.616 5.417 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2cc(Br)cs2)c1=S 917456947 ISSPFRSMWPJGEJ-UHFFFAOYSA-N 453.406 5.320 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3)C2=O)c1 917702666 HMWPQOHOOVAGMX-XMMPIXPASA-N 468.582 5.336 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cc1 919665561 CAGYZGVKKLLOKU-GOSISDBHSA-N 495.875 5.019 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 919825377 HNSTZXHLIPITFS-UHFFFAOYSA-N 460.896 5.949 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920110128 LNQRSPZJFMEOMU-PIGZYNQJSA-N 492.334 5.624 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3c(C)noc3C)C2=O)c1 920356786 VARFRBXGBCVPID-HSZRJFAPSA-N 492.601 5.077 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@H](C)COCC(F)(F)F)C2=O)cc1 921254711 ZTAMAMIXPVVBTQ-YLJYHZDGSA-N 493.551 5.231 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1 1778422589 COXJPPRGRGAHSK-HVHLLGLASA-N 497.639 5.242 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4Cl)cc3)CCC2)c1Cl 1785753857 WVUQHZQGBBMMAE-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5cn4)CCC3)cc2)cc1 1785797441 KTNDAVSHAZZCLT-UHFFFAOYSA-N 464.525 5.080 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1786162046 MZNQHVZNYVCYMS-UHFFFAOYSA-N 489.616 5.137 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)(C)C)cc3)CCC2)cc1 1786374157 HBMVABUKZJUGAI-LJQANCHMSA-N 450.579 5.203 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C(F)(F)C(F)F)cc3)CCC2)cc(C(F)(F)F)c1 1786604506 OKNDVDVNBIDXBB-UHFFFAOYSA-N 487.375 5.225 30 20 JKED CC(C)c1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)co1 1787024757 IZYWUBZUERCSKL-UHFFFAOYSA-N 497.477 5.145 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1 1788453324 AIZAYAOARMFBHI-UHFFFAOYSA-N 472.665 5.362 30 20 JKED CO[C@@H](C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1)c1ccccc1 1788649510 OUKLEZQNIRTLEV-LECGRMGRSA-N 474.582 5.009 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)cc2)CCC1 1789220433 RQTQGGUNOHEMPR-SFHVURJKSA-N 493.007 5.745 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccccc3)cc2)CCC1)NC(=O)OC(C)(C)C 1790215992 FXXOYKUHFXLSHD-QHCPKHFHSA-N 477.605 5.294 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(Br)c3F)cc2)CCC1 1790629129 LGKTVDFMTWRZBY-UHFFFAOYSA-N 489.385 5.319 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)CN4)CCC2)cc1 1791246993 HANPEHOJQCQODT-FQRUVTKNSA-N 487.644 5.582 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)CCC2)cc1)C(F)(F)F 1791302808 LIQNCEJQZIRRKP-NYYWCZLTSA-N 483.490 5.442 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3c(CC)nc4ccc(Cl)cn34)CCC2)cc1 1791727532 VIDZFBPTJJJQNP-UHFFFAOYSA-N 477.008 5.491 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C(C)C)cc1C(F)(F)F 1797020121 KBPRNRFFMMYQKI-REPLKXPHSA-N 451.533 5.108 30 20 JKED COc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(CC#N)cc2)cc2ccccc2c1Cl 1800543647 OKJJOAYYOLOXIJ-KOUNCHBCSA-N 487.987 5.133 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1803087033 QEZMFDGKUYXVAL-XXBNENTESA-N 472.416 5.476 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1803093093 OYIIVQZWZUXSDY-CVDCTZTESA-N 489.513 5.328 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)C)cc3F)CC2)C1 1805458358 JSNMEQWQGGOSBJ-UHFFFAOYSA-N 456.602 5.226 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)CC2)C1 1806014389 LVMSWSHEKBMHOJ-UHFFFAOYSA-N 499.051 5.329 30 20 JKED O=C(Cc1ccc(F)cc1C(F)(F)F)N1CCC2(CCCN(C(=O)CCCC(F)(F)F)C2)CC1 1806538214 DIZVIXLDMZAYQV-UHFFFAOYSA-N 496.467 5.351 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1)c1ccccc1 1809345945 JWSSGUQDOZDFPK-YCVJPRETSA-N 491.591 5.345 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1810173804 QPNDEOKIGKZDFS-SGIRGMQISA-N 463.622 5.369 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cc(F)cc(F)c3)C2)CC1 1810385570 RTTWYHDVNHLABM-UHFFFAOYSA-N 493.598 5.640 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1810503088 NZTNCAICSPKNCV-OFNKIYASSA-N 498.465 5.465 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1811206439 KOJCXSLXHDPZKW-DKRHUIDYSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[C@@H]1c1cccnc1 1811263586 HSOOJDDHOPBWIK-XAXKJMDRSA-N 493.611 5.157 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)c(Cl)c2)[C@@H]1c1cccnc1 1812590456 OKEKGTIGAVRMHZ-UQASEVPWSA-N 490.829 5.029 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c(Cl)c1 1813869482 HZGNSTRDAPWLNI-RQADYFSKSA-N 487.003 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1813943343 JLCVYJDECZDYKL-VGSWGCGISA-N 475.967 5.325 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)cc1 1814497867 LYDJQVRXOKHZAY-RQOTYCFOSA-N 485.613 5.131 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[nH]n1 1814571283 WMLGBAFTOKKXKD-VWNXMTODSA-N 491.542 5.463 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)n[nH]2)C1 1816188499 UCGBGKPVOPIGRI-OAQYLSRUSA-N 495.505 5.161 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)[nH]c12 1818116150 YZSIRISHVFCUQG-CFGKVWFZSA-N 487.585 5.006 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818775090 LWVHJBRRCHTTSQ-FXAWDEMLSA-N 487.025 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)[nH]n1 1819310305 YEMPTRYGVVPBGN-CTNGQTDRSA-N 471.001 5.075 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2OC(F)F)[nH]n1 1819311453 ZUZBKTOGZLPKST-VQIMIIECSA-N 458.509 5.085 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCOc2ccc(F)cc2)[nH]n1 1819384580 SPNJVFHXSQXTAH-HSZRJFAPSA-N 498.675 5.061 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1ccc(C(F)(F)F)cn1)CC2 1820097156 VEBNJBWRDNTGRY-KRWDZBQOSA-N 494.583 5.094 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)[nH]n2)c1 1820486030 RFIRWLPLSIOVDX-HXUWFJFHSA-N 485.441 5.059 30 20 JKED CO[C@@](C)(C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](S)C(C)C)[nH]n1)c1cccc2ccccc12 1820702403 FTDCOBALAWIXBQ-LSCGWGKXSA-N 494.661 5.071 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1821157895 WUSQMDFWYHNQBZ-AREMUKBSSA-N 492.583 5.309 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cccc(Br)c3n2)[nH]n1 1821925185 NJUBYRLBZVEBAC-QRWLVFNGSA-N 496.409 5.239 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1821986041 ONSHCPYRFIWBTE-OAQYLSRUSA-N 479.531 5.297 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)cc1C#N 1822023175 ZTCZXBGUPRAPID-NMNFXAFOSA-N 489.620 5.201 30 20 JKED C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1)c1ccccc1 1822038184 AZUXNJBDTKVVBN-NLFFAJNJSA-N 469.589 5.100 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)[nH]n2)c1 1823212831 WZZFXRMHBCQCRO-MHXVOTIHSA-N 489.526 5.334 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3ccc(C#N)cc23)CC1)c1ccccc1 1824240725 CKBVXPDJOWSJGQ-RRPNLBNLSA-N 497.643 5.108 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)CCC1 1824450845 YGSHTEMYVXAAKR-HSZRJFAPSA-N 489.582 5.342 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1824500073 FPWMVVUTNQFBQB-XMMPIXPASA-N 495.491 5.529 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(OC)c(C)c2)CC1 1824803069 IFTLLXXEBFMXML-XMMPIXPASA-N 454.655 5.158 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1827516321 SBBPRFSHVOVUON-VWLOTQADSA-N 464.650 5.217 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732575 FANWRWBMVLLZQI-XMMPIXPASA-N 499.051 5.816 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321637 UIZGQXNSPKEOQR-OFNKIYASSA-N 489.081 5.361 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828351923 YJAVYYPAJQVSQZ-WOWPOYAISA-N 495.623 5.570 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1Cl 1828518716 OIPZKHVRGLQKSJ-XMMPIXPASA-N 492.982 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 1828820772 FIUAVLIQYPFAQG-RPBOFIJWSA-N 452.614 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cc(OC)cc2C)CC1 1828827027 GUZAPIPYQCIULJ-LOSJGSFVSA-N 452.639 5.314 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879861 OREVBHVTDQUYAS-CAVPUYEOSA-N 462.606 5.432 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829657139 KXYRWAOLEJGIKW-PMACEKPBSA-N 489.028 5.129 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830607561 DBBOSGYTBZLZBP-NDEPHWFRSA-N 473.661 5.521 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830632409 KTOXWHKADLGKRJ-HHHXNRCGSA-N 473.617 5.089 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccco4)no3)CC2)c(Cl)c1 1830721347 HNOHVPDWIGYXEJ-QFIPXVFZSA-N 492.963 5.007 30 20 JKED Cc1cc(C)nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830756667 SEEJOSZJRNILGB-XMMPIXPASA-N 498.549 5.136 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1830769032 GFJJAKKANSWEQJ-SANMLTNESA-N 472.564 5.034 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)cc1 1830827708 KYXIBVBWVJEUFD-HHHXNRCGSA-N 497.643 5.034 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830873116 UATUTXWMBHSMTG-QHCPKHFHSA-N 472.054 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831017150 BAFUFQRJIMIPKK-BKMJKUGQSA-N 480.052 5.890 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1831445299 BQCMVCUBUDHVMO-JMJGKCIBSA-N 450.614 5.424 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1831446886 UACCLTLMQNSSAQ-QFIPXVFZSA-N 495.570 5.668 30 20 JKED C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1832557289 KBMWJOCTBGUDOY-XMMPIXPASA-N 484.518 5.364 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)C4(C#N)CCC4)CC3)cc2n1 1832784459 SQZNMFCPZGNOTF-DEOSSOPVSA-N 479.024 5.124 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CCC1 1832786541 YGKGETCUZDLPNT-AREMUKBSSA-N 494.639 5.533 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)c2ccccc12 1832997979 YCLRQOBKHQJTMR-AOYMVWLXSA-N 499.655 5.413 30 20 JKED Cc1ccc(CCC(=O)N2CCC(OC3CCN(C(=O)[C@@H](S)C(C)C)CC3)CC2)c2ccccc12 1836884408 JPIKUVMCTRALSM-NDEPHWFRSA-N 496.717 5.034 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)CC1 1838223404 DWTVMQDXDVLLOL-UHFFFAOYSA-N 498.067 5.493 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CCCc2ccc(C(F)(F)F)cc2)C3)c(Cl)c1 1845487269 BQGCJMIGEGANJJ-UHFFFAOYSA-N 489.925 5.070 30 20 JKED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3cccc(Br)c3)cc2)C1 1845561353 LMTOFMIAOFJFNA-UHFFFAOYSA-N 489.360 5.145 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(-c4ccccc4)n4ccccc24)C3)c1 1846828127 BZNOTKMZISQYHR-QFIPXVFZSA-N 488.591 5.364 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)c1 10167527 LGSZKNXZWLNPLM-UHFFFAOYSA-O 477.653 6.413 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10168515 BJEOVLYJBKWMGW-UHFFFAOYSA-O 479.669 6.849 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173230 TYHZHGPTZNVEDW-UHFFFAOYSA-O 473.568 6.202 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)n2-c2ccccc2)cc1 11019685 YWVNJIRZEDIWTM-SANMLTNESA-N 459.619 5.132 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccc(C)cc2)nc2sccc2c1=O 12056430 NPKQNWFQUSBFOG-UHFFFAOYSA-N 463.584 5.476 30 20 JKED Cc1ccccc1-c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c2cnn(C(C)C)c2n1 14362356 WKKVPWKFCVWOOZ-SFHVURJKSA-N 467.529 5.043 30 20 JKED N#Cc1ccc(-n2c(SCc3nc(-c4cccc(Cl)c4)no3)nc3ccccc3c2=O)cc1 22019582 HVXRLCZXVOPIFJ-UHFFFAOYSA-N 471.929 5.253 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc3ccccc23)cc1 22693406 FSQLRLVQVCSGOO-UHFFFAOYSA-O 473.687 7.452 30 20 JKED C[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 23523262 QIGVWIOKZUVLSR-ZDUSSCGKSA-N 492.651 5.203 30 20 JKED COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(C(C)(C)C#N)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 25841096 SIWKSVRYCQLBNB-IAPPQJPRSA-N 497.595 5.628 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)nnc1-c1ccco1 29549927 XVYGLSHSIFKZLV-UHFFFAOYSA-N 473.558 5.016 30 20 JKED C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(C#N)cc1 31434118 VLIOQGIXZAYWJI-CQSZACIVSA-N 474.369 5.157 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nc2ccccc2c1=O 32323859 NFAFZRRGBAIZSP-IBGZPJMESA-N 461.509 5.357 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 32785836 AYJBXSJTSSNZAG-MHZLTWQESA-N 486.616 5.534 30 20 JKED Cc1csc(SCc2c(C(=O)Nc3nc(C)c(SCC#N)s3)oc3ccccc23)n1 107899896 INXCSVJPIQPKNI-UHFFFAOYSA-N 472.642 6.123 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nnc1-c1ccccc1F 195568833 WMOHTTUTSUBCRW-UHFFFAOYSA-N 483.569 5.843 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(C)c(C)c3C#N)c2C#N)C1 218940302 BGEZLAWKOFFHOD-OAHLLOKOSA-N 453.637 5.170 30 20 JKED C=CCn1c(C)nnc1S[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 248053060 XQIMYKXAJBHZCK-SFHVURJKSA-N 466.916 5.917 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1cccnc1 302976774 UETHWZPDRUZPIE-GOSISDBHSA-N 461.513 5.300 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)CCCSc3ccc(Br)cc3)CC2)c1 409665098 JDCHNKNMUKJNOJ-UHFFFAOYSA-N 486.435 5.070 30 20 JKED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 480376871 JVCMDKOJJJMVEY-QFIPXVFZSA-N 470.573 5.105 30 20 JKED CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481620806 GENYUHAYUHFIBG-UHFFFAOYSA-N 458.287 5.296 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)cc2F)c1 481689150 UOEDRHCTRQIIOZ-HSZRJFAPSA-N 473.504 5.417 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 490633264 YHYNOXJYXAAVSS-QFIPXVFZSA-N 468.557 5.214 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2F)cc1 496590591 GWGLSTQVBVQKNV-UHFFFAOYSA-N 477.399 5.274 30 20 JKED COc1ccc(CC2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)cc1 499921350 OCFGYNSMFTVUHA-UHFFFAOYSA-N 456.590 5.184 30 20 JKED COc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)cn1 500154696 HRXJSNHCABVHMK-UHFFFAOYSA-N 494.576 5.759 30 20 JKED COc1ccc(CCn2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c2C)cc1 502858647 STQSUJKRVFJUIK-UHFFFAOYSA-N 473.960 5.079 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2Cc2ccco2)cc1 504407402 FRWDCCIPUIZOCZ-UHFFFAOYSA-N 456.571 5.731 30 20 JKED O=C(NCCCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 506986827 DRQAWGMPFYAZHT-UHFFFAOYSA-N 459.365 5.412 30 20 JKED COCCSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 507451825 RQEDCEYVSDKMSV-IAGOWNOFSA-N 457.665 5.305 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)o1 509901685 MHXFTOMJPGUMDE-BCHFMIIMSA-N 455.558 6.245 30 20 JKED CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4sccc4C#N)o3)cc2C1 509949275 PCLCCWIEERDMHD-AWEZNQCLSA-N 458.634 5.613 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2)cs1 510098533 HYSVHASJMBLQNQ-CQSZACIVSA-N 492.655 6.017 30 20 JKED CCOc1ccc(-n2c(SCCC(=O)Nc3ccccc3C#N)nnc2-c2ccc(OC)cc2)cc1 514892131 NDQNXKIUDSMTBD-UHFFFAOYSA-N 499.596 5.334 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 515282629 XPUVYGJAHHZVRH-UHFFFAOYSA-N 496.498 5.463 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Cl)ccc2Br)cc1 515651294 CGJYDWPZLRHCQM-UHFFFAOYSA-N 455.739 6.000 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)c2)c1 515674673 BLDWWWSKQTUNPW-UHFFFAOYSA-N 493.420 5.406 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)n2)cc1 516269905 CQAPPGWHPMGVQF-IBGZPJMESA-N 459.575 5.758 30 20 JKED COC(=O)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 516464785 BSMJNSQCFYBTMR-MRXNPFEDSA-N 461.326 5.159 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(CCc2ccccc2)Cc2cccnc2)cc1 516469273 YFBYAMMPCPKTSS-UHFFFAOYSA-N 476.580 6.003 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 516710398 QASCZHSQIBEPFR-UHFFFAOYSA-N 463.419 5.511 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC 517535717 LKRFBMNECHRQAV-SFHVURJKSA-N 495.417 6.126 30 20 JKED COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2SC[C@@H](C)C#N)cc1 518140512 VSGUQAOAPJMKLD-RXFWQSSRSA-N 484.625 5.737 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1OC(F)F 518591996 HWCHAWIEMZOPFA-NRFANRHFSA-N 479.483 5.466 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 520597834 HHDVOGQYABLJFE-AREMUKBSSA-N 457.530 5.572 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 520835482 OAASFRKNFUTOHB-UHFFFAOYSA-N 489.519 6.076 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)c(Cl)c1 520846948 QKEJEWCJHSNJCM-KRWDZBQOSA-N 450.391 5.595 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCNC(=O)c3cc(F)ccc3Br)cc2)c1 521792154 KKXLYDOCWLCRIE-UHFFFAOYSA-N 482.309 5.011 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCC3(c4ccc(Cl)cc4)CC3)cc2Cl)c1 524431609 QIWTVKWFOCWNBW-UHFFFAOYSA-N 494.378 5.231 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccc(F)cc3)o2)cc1C 589520119 VTLMVNHYZBZPBJ-UHFFFAOYSA-N 475.549 5.503 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 604090936 ROTDOOTVSGHGCL-UHFFFAOYSA-N 452.986 5.718 30 20 JKED CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604137387 GUDRBEDLYSXTTF-INIZCTEOSA-N 463.921 5.219 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 604394802 ZTGMBIISYCYTTA-UHFFFAOYSA-N 485.547 6.218 30 20 JKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 604554777 WQZNAKVLHSXERE-FQEVSTJZSA-N 479.584 5.258 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 608970777 CISYVVRVYHXVSJ-SANMLTNESA-N 485.971 5.379 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cncc(C(=O)Nc2ccccc2SCCC#N)c1 609375935 NPTWDBTVUCQGMJ-UHFFFAOYSA-N 487.610 5.598 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 609376804 JZUCXTTUHBZPCY-HNNXBMFYSA-N 463.563 5.639 30 20 JKED Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1NC(=O)c1ccccc1 609378593 QUZFCGZPQVRPSH-UHFFFAOYSA-N 483.515 6.524 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(F)cc1Br 609388316 HIOBQPNRYUIOMU-CYBMUJFWSA-N 453.402 5.712 30 20 JKED COCCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 609437061 NIQIEROJFGJDQJ-SFHVURJKSA-N 461.518 5.267 30 20 JKED CSc1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1-c1ccc(F)cc1 613405283 WTUUEMDPAXBPLO-AWEZNQCLSA-N 476.480 5.852 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618548279 ZNCATFIPTFPYNZ-GASCZTMLSA-N 464.381 5.890 30 20 JKED O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618554673 ATTPUVNQOVFXDC-DVOMOZLQSA-N 489.863 5.388 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)nnc1-c1ccncc1 639394489 AROSFJQEOZWGGI-GOSISDBHSA-N 461.513 5.300 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccccc3F)S/C2=N\CCc2ccccn2)s1 726112826 GTXLGGKIRGMVJG-JQBZVHORSA-N 496.633 5.223 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(Cl)cc1 726396487 FFMHINVNXQZGMI-OXQOHEQNSA-N 459.999 5.034 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726402339 FNNXDNPWMYOVAF-SFHVURJKSA-N 491.787 5.112 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)Cc2ccco2)cc1F 726411015 KCKCSZPNJICBDZ-AOMKIAJQSA-N 481.549 5.019 30 20 JKED N#Cc1ccc(OC2CCN(Cn3nc(COc4ccccc4Cl)n(C4CC4)c3=S)CC2)cc1 728903790 ZDYLPDOAZDTCOC-UHFFFAOYSA-N 496.036 5.354 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 729146855 ZKNIBHHVMAIGHR-QFIPXVFZSA-N 486.622 5.765 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 729633087 VZLRTGXWLYADIU-JOCHJYFZSA-N 489.988 5.076 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)C(=O)N1Cc1cocn1 730718978 UGFDXJCRZOZSKE-NRFANRHFSA-N 498.992 5.060 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 731024643 BXVLRVZIIJFISB-OAHLLOKOSA-N 490.585 5.318 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CSc1ccc2c3c(cccc13)CC2 731066566 XRAIXKYEMCDAJD-QGZVFWFLSA-N 476.623 5.607 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)cc1 731305339 JSRKYUSUGOKLNC-SBUREZEXSA-N 477.586 5.139 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(C)cc1C 731310053 ZMZGUHOSCVRBHS-XMMPIXPASA-N 489.597 5.178 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)c(C)c2)cc1 731310246 DBENQERGKPITEI-XMMPIXPASA-N 489.597 5.178 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)c(C)c2)c1 731310274 DONSQEXHFWTXAK-XMMPIXPASA-N 489.597 5.178 30 20 JKED Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3S[C@@H](C)CC#N)c3ccccc3C2=O)cc1 731338719 GSGFLEBKKJOSGR-IBZADVPGSA-N 453.567 6.029 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 731400221 MFSJEIRFDZZNFW-GFCCVEGCSA-N 470.467 5.130 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2oc3ccc(Cl)cc3c2C)n(Cc2ccco2)c1C 742442840 WPFNYYCWQXOMGP-UHFFFAOYSA-N 465.893 5.121 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)NC1(C#N)CCCCC1 744597615 XVCQVDYXKDRIJW-GFCCVEGCSA-N 452.363 5.005 30 20 JKED COc1cc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)ccc1S(C)(=O)=O 747065971 GOGDIDRAFXNWOC-FYWRMAATSA-N 486.593 5.215 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 749361779 UFHFIDYDGSUJLF-UHFFFAOYSA-N 488.547 5.668 30 20 JKED CCCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1cccc(C)c1 803975626 JZICHRNUTLYYAV-HXUWFJFHSA-N 473.627 5.756 30 20 JKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 824940870 DFIRLYYBCQYAEJ-HOTGVXAUSA-N 462.575 5.362 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)o2)cc1 855252989 VPPNDBZCGDGMTB-HNNXBMFYSA-N 458.490 5.074 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2cccnc2)ccc1Cl 858721414 UKGGLGVEDHPJBP-UHFFFAOYSA-N 490.412 5.042 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 873720164 FEXSXOVLQFODMK-UHFFFAOYSA-N 498.958 5.242 30 20 JKED CCOc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)cs2)cc1 914994331 WGIAIVJMBQTLEJ-IBGZPJMESA-N 477.586 5.318 30 20 JKED CC(C)c1noc2nc(C3CC3)cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c12 915577281 NZIWRSDLRCFICY-UHFFFAOYSA-N 456.502 5.132 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3csc(-c4ccccn4)n3)cc2)cc1 915984325 XHSKXFOWNABMTJ-SDNWHVSQSA-N 461.568 5.210 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(OCC)cc1 916214881 QCHDXMJQRDYWSR-IBGZPJMESA-N 490.969 5.017 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916217917 YNDDUTLOEOKXGY-OAQYLSRUSA-N 483.515 5.981 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916887102 MFPPNIRFQVPGDS-FGZHOGPDSA-N 492.503 5.417 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c1 916898219 YKQZZHUWVRFVSF-HXUWFJFHSA-N 462.962 5.378 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916917779 IWSMOEUADUGTLX-NRFANRHFSA-N 480.911 5.900 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916917829 KCDJDOJOHZQMFE-IFXJQAMLSA-N 453.361 5.430 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1Cl 916940253 WLOQZZXVRSZSPA-KRWDZBQOSA-N 464.934 5.019 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945439 VFLZJHHMOLHNOB-GOSISDBHSA-N 481.426 5.588 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1 916947134 DURCQFIEVPWRNZ-IYJAJMOOSA-N 496.658 5.497 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1 916952372 JXANHWBJHVBHGA-HSZRJFAPSA-N 473.479 5.402 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)n2)cc1 916975190 VWSMTEBUXZIVHP-SFTDATJTSA-N 461.587 5.431 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976095 JESJXCQOOJEPTB-NQIIRXRSSA-N 481.980 5.260 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996523 JOOBRBUNJYOGLN-YLJYHZDGSA-N 498.435 5.774 30 20 JKED N#C[C@@H](C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F 917041135 QDSHSMWUCYXLTB-DTBYZMGXSA-N 465.862 6.641 30 20 JKED N#C[C@H](C(=O)CSc1nncn1-c1cccc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 917042559 FPXXNGFRUKPNIM-CQSZACIVSA-N 493.923 5.518 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)cc1 917119649 RCOQZNMBYCPXQT-HSZRJFAPSA-N 473.579 5.457 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1 917684308 BXUAIRAAVWNTNT-OAQYLSRUSA-N 483.590 5.446 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1 917697367 ZBLLSSWWPOJMSM-NRFANRHFSA-N 496.495 5.034 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC(C)C)C1=O 917704951 RATLNHAHWWZAAP-OAQYLSRUSA-N 485.009 5.145 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 917872709 RRODGOURIBPNLE-UHFFFAOYSA-N 450.926 5.219 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 918034244 LHEPDYFFGWWIME-HHHXNRCGSA-N 478.527 6.055 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c(C)c1 918441327 ZKEOUVMJEPXUFC-HHHXNRCGSA-N 479.580 5.019 30 20 JKED N#CCOc1ccccc1C(=O)NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 919818605 PLONJUIWBIVTCE-UHFFFAOYSA-N 451.482 5.499 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 920140918 GTHNAZFVGJLCNM-INIZCTEOSA-N 485.447 5.287 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c1 920354190 ACZKGAKQZADGCJ-QHCPKHFHSA-N 476.602 5.377 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 920357672 ZIAQGHXJDUMCMZ-DEOSSOPVSA-N 484.581 5.605 30 20 JKED Cc1sc2nc(CCC(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)nc(O)c2c1C 920715992 MRHQNBWWOKCYRE-UHFFFAOYSA-N 471.582 5.390 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2nc(O)c3c(C)c(C)sc3n2)cc1C 920893625 XYXSBZOZFHCXBY-MRXNPFEDSA-N 475.574 5.326 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4cccc(OC)c4)CCC3)cc2)C1 1785806579 BGAZMFOSITXNAU-UHFFFAOYSA-N 467.569 5.471 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CCC1 1785963832 UZJYAFMTPBKWDZ-UHFFFAOYSA-N 477.923 5.177 30 20 JKED COc1ccc([C@@H](C)C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)cc1 1786036376 BKCZOTHKYPWEMQ-LJQANCHMSA-N 453.542 5.118 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951692 RLAFCQGZUVBSRJ-DOSFMOCYSA-N 473.617 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(NC(C)=O)cc3)cc2)CCC1 1789177283 PMNRICCSCULSPS-UHFFFAOYSA-N 461.606 5.314 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4Cl)cc3)CCC2)cc(C(F)(F)F)c1 1789730825 LJAZNALBKHZLNH-UHFFFAOYSA-N 498.892 5.687 30 20 JKED COc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)no2)cc1 1790287750 ROZCPHAKLIPRDD-UHFFFAOYSA-N 492.535 5.283 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1790383919 MWMZAJTWMUMYSK-UHFFFAOYSA-N 455.558 5.435 30 20 JKED COc1ccc2c(CC(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)c[nH]c2c1 1790705466 ZTPPYMVNFFLEJW-UHFFFAOYSA-N 492.579 5.233 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(OC(F)(F)F)c3)cc2)CCC1 1790817293 TXANDXYBMZOBMB-UHFFFAOYSA-N 465.859 5.290 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)cc2)CCC1 1791412197 SODWFXLUVZIDOT-DHNNRRLOSA-N 481.637 5.121 30 20 JKED CCc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124863 MUWIEBBJDISMJP-QGZVFWFLSA-N 458.587 5.394 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)C34CC(c5ccccc5)(C3)C4)cc2)CCC1 1792381420 RLPBNDXORMBMJC-UHFFFAOYSA-N 491.591 5.193 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ccccc12 1797280429 MYZXWBJSUMIBCB-BKFWDETESA-N 483.612 5.136 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccnc2-c2ccc4ccccc4c2)C3)c1 1799601455 WWNQMQCQMICNIG-LGKQTMLJSA-N 486.575 5.339 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1802432285 QKBNLUGTAFBRPP-WTWHUHDWSA-N 451.636 5.245 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(C)c2F)[C@@H]1c1cccnc1)c1ccccc1 1802721124 JEDDMQCXOJVDCR-VBOOUTDYSA-N 483.587 5.046 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1803091096 MPXPTMHKHQBNPK-WZONZLPQSA-N 490.406 5.616 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803092714 KMSRHFAVZGXHTK-JMJGKCIBSA-N 477.571 5.225 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803605084 OZZKVQLDFGBIGT-ONTLXTELSA-N 488.097 5.135 30 20 JKED Cc1csc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1804535446 TYCKYGQOSWONKY-MHLNXUHPSA-N 486.641 5.031 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cc3cccnc3cc2F)[C@H]1c1cccnc1 1808177186 NJMXWRFYETVREU-AJTFRIOCSA-N 488.607 5.010 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[C@@H]1c1cccnc1 1809143894 UBMFCJOFQUILQM-OFVILXPXSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810172190 KUKNKROQQWEWPF-UMEGOILYSA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1810173194 GLONCIQSQDWHII-MIZPHKNDSA-N 471.523 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1810500919 ZZKCRXZUIXICNS-NBGIEHNGSA-N 491.035 5.595 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)[C@@H]1c1cccnc1 1810502062 LFRXPPFYISEADT-GBXCKJPGSA-N 497.039 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810604453 QNKCTIKRQAOJGQ-PNCHPQGNSA-N 473.951 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1810762797 OFLIQNVDERXKMI-XLIONFOSSA-N 475.420 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1811057063 RWXDYQXPSIQOQF-VDKIKQQVSA-N 486.641 5.293 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(F)F)cc2F)[C@H]1c1cccnc1 1811390103 NDIINMLNDBOBID-XMSQKQJNSA-N 489.538 5.134 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)s3)[C@H]2c2cccnc2)c1 1811936285 OTLKVKJHJSSJBM-OFVILXPXSA-N 486.641 5.254 30 20 JKED N#CCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2cccc3ccccc23)[C@H]1c1cccnc1 1812043211 KKGFNXYNATVABJ-MUAVYFROSA-N 490.563 5.260 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1812829971 DVZFRHZITYYGBC-GTNKKZTPSA-N 459.634 5.222 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)CC1 1812897867 AZPJUMPTMBKVEE-BBVHREJBSA-N 478.036 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCSCc2ccc(C)cc2)[C@@H]1c1cccnc1 1812954612 XDWVTWJBPKOFIC-REUBFRLUSA-N 491.701 5.488 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3sccc3Cl)[C@H]2c2cccnc2)c1 1813866428 RFSAJPGDTRGFQC-BUVFEPMLSA-N 479.005 5.057 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1814261660 RWPFTRDEQIOSSE-QCDWPYODSA-N 482.628 5.359 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)[nH]n2)C1 1814393622 RTHJKCNMCKJELE-NRFANRHFSA-N 498.509 5.091 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cc(Br)ccc3Cl)[nH]n2)C1 1814397215 KXFTWMOPGGHMIF-IBGZPJMESA-N 491.817 5.027 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)[nH]n1 1814441232 AWXRRFMBENXLDP-SFHVURJKSA-N 463.504 5.122 30 20 JKED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1)c1ccc(Cl)cc1 1814659574 CSGIHHSRKZXZSE-QRQCRPRQSA-N 479.943 5.183 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)n[nH]2)c(Cl)c1 1814721236 XJOVBOSXLDIOGQ-MIZPHKNDSA-N 491.954 5.183 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc3ccccc3n2C)n[nH]1 1814722034 ZLUIFSUFIMNDJU-HSZRJFAPSA-N 461.610 5.129 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(-c4ccccc4)noc3C)n[nH]2)c1 1816335932 QAPFPOPOXGESCU-QHCPKHFHSA-N 494.555 5.173 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)c(OC)cc(OC)c2F)n[nH]1 1817204090 LMYKERSZHBUISR-INIZCTEOSA-N 490.551 5.003 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)nc3Cl)n[nH]2)c1 1819680386 CTVRAGFNDZUSQA-LIRRHRJNSA-N 497.386 5.358 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cncc(C(F)(F)F)c2)n[nH]1 1819929152 QGVDMIKJERKWGY-GOSISDBHSA-N 463.504 5.122 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437957 QSLIARQOEZTUJV-XMMPIXPASA-N 470.573 5.702 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)[nH]n2)cc1 1820548603 IULSRFIIRMGICB-IBGZPJMESA-N 485.441 5.059 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821049167 ZATLJFONDLIALV-XMMPIXPASA-N 456.546 5.311 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)cc(C(F)(F)F)c2)n[nH]1 1821362607 KRUHNJLAZARLNS-TZIWHRDSSA-N 490.526 5.511 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1821921929 YSHRNSQYJMWQAF-VGOFRKELSA-N 461.541 5.129 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1)c1ccc(O)cc1 1822466784 BIHQEXNMTHUHHV-OFVILXPXSA-N 495.583 5.100 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1)c1ccc(O)cc1 1822469090 GASUUACTIXYUMN-QPPBQGQZSA-N 462.594 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)[nH]n2)c1 1823216257 RNFXLXAEOLIWNN-NIKIYQIZSA-N 493.611 5.465 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1824508473 WMCARKVAMZDLCE-QPPBQGQZSA-N 489.616 5.048 30 20 JKED O=C([C@H]1[C@@H]2CCC[C@H]1c1ccccc1N2)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826523540 URMKTYLZGVQAJD-YQOCYVMFSA-N 495.667 5.036 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826671937 ZSNUFQZANRCWDA-GOSISDBHSA-N 482.440 5.420 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827780140 XIHUBBNOQNWDBV-XMSQKQJNSA-N 498.590 5.122 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)ccc2c1 1828087842 WBKKSRIMLSBECX-HHHXNRCGSA-N 484.575 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1828822516 ILRQXTQKEZCZCP-ZEQKJWHPSA-N 496.602 5.357 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 1828827028 QMTONTWJRPLNAY-TZIWHRDSSA-N 464.437 5.390 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1828829020 CHMLTUQHPYCHCF-UGKGYDQZSA-N 464.984 5.620 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1828906466 NTTKRWTWCPJVCU-QHCPKHFHSA-N 495.765 5.581 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1829182253 KDOAJZFLHOWROT-VGOFRKELSA-N 499.442 5.563 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)c1 1829675831 KRSGPEBEKWGBGR-AFMDSPMNSA-N 494.035 5.257 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829756771 QRVIWROBFTXFIH-JYFHCDHNSA-N 495.067 5.732 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830358122 AFLPUHNYCUKHFX-VWLOTQADSA-N 481.999 5.135 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1 1830717328 SXLQUCKGDHYUIU-QFIPXVFZSA-N 471.935 5.037 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830754830 AQZSYUQANILLFW-FQEVSTJZSA-N 483.481 5.022 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccoc3)CC2)cc(C(F)(F)F)c1 1830755129 QOTRXDUJMLWPID-NVIZVJJSSA-N 485.506 5.117 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 1830768040 YUWQREMNGUXCIK-VWLOTQADSA-N 497.561 5.362 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2noc3ccc(Br)cc23)CC1 1831038266 HJKGFXAMBRFVON-OXJNMPFZSA-N 488.426 5.036 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)CC1 1831059499 HQPJRQLTWGZDEI-HSZRJFAPSA-N 498.465 5.276 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(NC(C)=O)c2)CC1)c1ccccc1 1832653966 UPLGYTQQVVCAKL-VMPREFPWSA-N 499.655 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)CC3CCC(C)(C)CC3)CC2)CC1 1836420933 WZJFXFNHRDPTSN-UHFFFAOYSA-N 459.719 5.157 30 20 JKED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 1837072888 MXAXDVZWRDOQST-UHFFFAOYSA-N 494.657 5.010 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(CCCCC)s3)CC2)CC1 1838373470 PZJSTUURGLLGQW-QHCPKHFHSA-N 487.710 5.256 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1 1847621208 MGMUACPMWCSETK-WZRVBCGNSA-N 490.047 5.756 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2scc(-c3ccccc3)c2c1=O 9041601 STDVNNUDHNOMFK-UHFFFAOYSA-N 463.584 5.050 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)n(-c2ccccc2)c1C 10319267 IWSGKYRMBQRXLZ-UHFFFAOYSA-N 463.950 5.400 30 20 JKED C[C@H](Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 15274992 WSBYMDCUTSAKOX-AWEZNQCLSA-N 495.395 5.627 30 20 JKED Cc1occc1-c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1-c1ccccc1 22100404 NIICSPHTSNNBJC-LJQANCHMSA-N 457.559 5.263 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)c1 22729609 NIOYTVOUOIHIDX-UHFFFAOYSA-O 496.612 6.141 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1[C@H]1COc2ccccc2O1 23517646 FJBAANVJQZXDNM-FOIQADDNSA-N 470.982 5.058 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1cccc(C)c1 26037604 PNZALCJQTARQKB-HXUWFJFHSA-N 471.611 5.532 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 72025285 HKVCEMCYZZAZLQ-UHFFFAOYSA-N 459.958 6.617 30 20 JKED CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 72029074 RQISIUBOZTZXIL-SANMLTNESA-N 487.554 5.609 30 20 JKED O/C(COc1ccccc1OCc1ccccc1)=N\c1ncn(Cc2ccc(Br)cc2)n1 78658996 VGSQGHUXGICKDK-UHFFFAOYSA-N 493.361 5.335 30 20 JKED Cc1nc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)sc1SCC#N 107916160 UKSXXZRETJUKRW-UHFFFAOYSA-N 466.419 5.358 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 112525114 RXERDGVKNNJYHY-NRFANRHFSA-N 454.574 5.567 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1Cl 195622723 JQGSIUKZIIRTMF-SFHVURJKSA-N 498.867 6.591 30 20 JKED Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cs1 195664255 WRSXJMVCVDFANH-INIZCTEOSA-N 456.017 6.497 30 20 JKED CC(C)(C)c1cc(C#Cc2ccc(C#Cc3cc(C=O)c(O)c(C(C)(C)C)c3)cc2)cc(C=O)c1O 220674346 KKJCWHZUSRYIQT-UHFFFAOYSA-N 478.588 6.117 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c2ccccc21 255932030 OIYJELNDBLBATJ-UHFFFAOYSA-N 452.923 5.145 30 20 JKED Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1Cc1ccco1 302987069 VJGWCRLLJVSNBZ-IBGZPJMESA-N 489.576 5.461 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 303234300 YTLARMXCQYTRHR-UHFFFAOYSA-N 465.987 5.758 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c2cnn(C(C)C)c2n1 487293034 VZDVDQQWXAUXJP-UHFFFAOYSA-N 484.507 5.511 30 20 JKED COc1ccc([C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)c2ccccc2)cc1Br 488047394 YTHHNWZEOUNXKN-QHCPKHFHSA-N 484.781 5.300 30 20 JKED CC[C@@H](C)n1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1ccccc1 504287263 AZVJRFXCKLXGLF-QGZVFWFLSA-N 453.999 5.608 30 20 JKED CCSc1ccc([C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 505154332 GSYJDLGAIKFZCZ-SFHVURJKSA-N 475.639 5.892 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc(-c2ccccc2)cs1 507023161 JOXNKNRDRMIEKJ-LJQANCHMSA-N 453.552 5.609 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1 508253213 RZVFLAPBYXXYKD-OAHLLOKOSA-N 453.445 5.843 30 20 JKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508284682 YXCYWGCOZNIGCQ-QFIPXVFZSA-N 457.530 5.607 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1(c2ccc(Br)cc2)CCOCC1 508998172 QSYIBYIXJCNHKD-UHFFFAOYSA-N 455.396 5.054 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCC3(c4ccc(F)cc4)CCOCC3)c2)cc1 510609356 PSRAUAALLPYOMK-UHFFFAOYSA-N 473.548 5.341 30 20 JKED CCCOc1ccc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 511500679 YJUQXKCWAUFPME-GOSISDBHSA-N 472.545 5.491 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cs2)cc1 512493726 JXDRPUAYXHVOBW-LJQANCHMSA-N 461.568 5.831 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc(-c2ccncc2)cs1 516332392 YWNNYIMPLGGGCM-OAQYLSRUSA-N 472.595 5.718 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1c(Cl)cccc1Cl 517458851 BCEBABODYVYXJG-AWEZNQCLSA-N 455.432 6.138 30 20 JKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1cccc(Cl)c1Cl 518207206 BOTXTQKWOANHJL-MRXNPFEDSA-N 479.161 5.725 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)Cc2cccc(Br)c2)cc1 519255431 KWKIIBRREBOFEP-KRWDZBQOSA-N 456.384 5.016 30 20 JKED C[C@@H](NC(=O)CC1(CC(=O)N[C@H](C)c2ccc(C#N)cc2)CCCCC1)c1ccc(C#N)cc1 520637803 IJSDZOGWHDBCJS-NHCUHLMSSA-N 456.590 5.215 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 521329813 OXKFDYCNCNHCIE-GOSISDBHSA-N 465.600 5.442 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1C 522585874 ZGRSZAMHMSKNFE-JOCHJYFZSA-N 498.562 5.290 30 20 JKED N#Cc1c(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)sc2c1-c1ccccc1CC2 523870111 RBMOSSGVUKGWLY-UHFFFAOYSA-N 466.522 5.753 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3(c4cccc(Br)c4)CCC3)cc2)cc1 523970105 REPLXWWUGMSCSE-UHFFFAOYSA-N 490.357 5.247 30 20 JKED COc1cc([C@H](C#N)NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1OC 524246442 QSYUZPYGFXUCGE-NRFANRHFSA-N 482.621 5.327 30 20 JKED Cc1ccc([C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)N2CCCC2)o1 524439935 PYPRENCQOJXUPE-VWLOTQADSA-N 458.562 5.306 30 20 JKED CCOc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CN(C)CC#N)c3C#N)C(C)(C)C2)cc1 551015949 ZEGYGQXCYCENOC-VOTSOKGWSA-N 460.603 5.190 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(NC(=O)C(C)C)cc1 551395043 PKPIAPKVDPLBPD-UHFFFAOYSA-N 456.546 5.362 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)s2)cc1 602226959 DTGSUJSFLQIPPQ-UHFFFAOYSA-N 453.449 5.062 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603622043 HXRVKSVQHCODGY-UHFFFAOYSA-N 494.576 6.037 30 20 JKED C=CCN(C(=O)c1cc(F)cc(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603730854 PJCUHULSPYUCGL-UHFFFAOYSA-N 462.300 5.453 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 603875518 QONOSIZUPUXQRS-KBPBESRZSA-N 460.374 5.370 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCSc4c(F)cccc43)cc2Cl)cc1 604140867 PWIRHXJBCYRYOR-HXUWFJFHSA-N 481.936 5.435 30 20 JKED COc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604488543 VFYVFSYSYCWMKE-NRFANRHFSA-N 475.976 5.037 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(C)cc1 609062858 IFKBCICPHVXFGX-DEOSSOPVSA-N 461.949 5.305 30 20 JKED Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N(CCC#N)CC(C)(C)C)ccc2C)c(C)c1 609191402 KXEXPAQZFBXCSG-UHFFFAOYSA-N 455.624 5.123 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433733 FMGPGHFZQBXRDH-UHFFFAOYSA-N 470.504 6.241 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)c(OC)c1 614960625 BIHLNLRGXQYQHQ-UHFFFAOYSA-N 498.938 5.495 30 20 JKED O=C(NCCc1ccc(C(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642343697 SOEDXTCGVGMHLD-STQMWFEESA-N 450.345 5.457 30 20 JKED C=CCn1c(Sc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)nnc1-c1ccncc1 669623673 LTJXSCKXBDWFBZ-UHFFFAOYSA-N 469.599 5.233 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2c(F)cccc2F)n1 726319342 GSDSCJHOSWVUFK-LBPRGKRZSA-N 465.453 5.364 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2)cc1Cl 726407247 QBUDEIOJVXKKLO-QFIPXVFZSA-N 474.973 5.372 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1cc(OC)ccc1OC)c1ccc2c(c1)OCCO2 726443958 DWMJYZWJCKFIBX-UHFFFAOYSA-N 492.597 5.443 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)SC2=S)cc1Cl 726626494 HJMNUKZLGFLAEM-UUASQNMZSA-N 451.754 5.086 30 20 JKED O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc(-c2ccc(Br)cc2)s1 727974038 GCSYNYQUFRMDLT-AATRIKPKSA-N 461.406 5.367 30 20 JKED CN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1CCCCCCC1 728143954 YMBGHXRCMUVRAJ-UHFFFAOYSA-N 453.970 5.300 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 728422244 FUJHRAJXJUSPHR-MHECFPHRSA-N 483.597 5.237 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 728776184 MFSYRRRSYDFCMM-HXUWFJFHSA-N 488.535 5.037 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)c1 728777712 NDBTWZAHOAQJPZ-JOCHJYFZSA-N 493.589 5.174 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)cc1 728777744 NPEWTWASRHQMKN-DEOSSOPVSA-N 470.598 5.802 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 729552836 MRITYNIMKKWGQH-VWLOTQADSA-N 453.546 5.160 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c(C)c1 729632911 BJXPFMNTFPJRBQ-QHCPKHFHSA-N 494.567 5.446 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CCC2)C1=O 730460598 CEPCLYMESPITLE-IBGZPJMESA-N 478.401 5.515 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCC1)c1cccs1 730463280 WDNYYQXLJSOWQY-ATHMMGOPSA-N 482.458 5.997 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c3c2CCC3)c(F)c1 730687440 WSVMVVUFMAMHKW-QGZVFWFLSA-N 484.503 5.084 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)O[C@@H](C)C2 730695752 XKIUJOMAYBRKDX-IKICRFKJSA-N 480.536 5.790 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1CCCCC#N 730722974 CPYDLYAQGHVGMP-NRFANRHFSA-N 492.649 5.378 30 20 JKED N#C[C@@H](C(=O)c1sccc1S(=O)(=O)C(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 731135600 FMVZIDUCWFVGLF-JTQLQIEISA-N 493.365 5.665 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc3ccccc3o2)C1=O)Nc1cccc(O)c1 731308165 XSBWSKFONLBZCU-QHCPKHFHSA-N 489.528 5.438 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@H](C)c2cccs2)s1 731311477 CLVZVRJUYMQKCT-PRLFLVJASA-N 485.656 5.414 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)c1 746696502 OJNQQKZMNDOBHE-JOCHJYFZSA-N 483.634 5.087 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1Cl 748480924 BAIIPQIERPFGEY-OAHLLOKOSA-N 476.751 5.312 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccc(F)c(Cl)c2)C1=O 750915838 ILAOIRAQKDYMRS-MRXNPFEDSA-N 474.772 5.054 30 20 JKED CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 759672026 GCTIXTPKHFDPEL-QGZVFWFLSA-N 450.007 6.667 30 20 JKED O=C1Nc2cccc(Br)c2C1=NNc1ncnc2scc(-c3ccc(F)cc3)c12 767179506 DIBSNMWRGOIZHZ-UHFFFAOYSA-N 468.311 5.028 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(Cl)cc(Cl)c1 799223165 GDVSEUQRDWCQAJ-IBGZPJMESA-N 460.386 5.204 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)cc1 837548472 PFBJITIWZGZEOX-NTKDMRAZSA-N 488.613 5.592 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1OC 838486131 PLWVUYDWVWDPPU-NRFANRHFSA-N 490.025 5.044 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 914520938 QZTYOBXDHCHRMB-HHHXNRCGSA-N 453.517 5.503 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc(F)c2)C1=O)Nc1ccccc1F 914772647 JGMVZSSEGXVWFE-NRFANRHFSA-N 451.498 5.125 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CC2CCC2)C1=O)Nc1ccccc1Br 915116141 CICDGSXRSAYYAN-IBGZPJMESA-N 472.408 5.210 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)c1=S 915794741 AUWLXHKQDCYTNB-UHFFFAOYSA-N 496.427 5.540 30 20 JKED O=C(/C=C\c1csc(-c2ccccn2)n1)c1ccc(Br)cc1Br 915983618 BDLUFUOPDXRLTL-ALCCZGGFSA-N 450.155 5.626 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1F 916205858 SMYWRRPJSDRUQO-IBGZPJMESA-N 493.894 5.511 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2ccccn2)C1=O 916205949 MRJDPWUWTXDSOW-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 916208889 ZIIQMKLTLPQVCS-FQEVSTJZSA-N 477.989 5.174 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(Cl)cc1 916212596 YXJRXKJIDOYIPX-MRXNPFEDSA-N 486.808 5.254 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 916215613 VQQYECVFOVGGNG-QGZVFWFLSA-N 465.522 5.263 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1 916215699 XXRMSWSZVZUQCZ-NRFANRHFSA-N 455.555 5.127 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(C2CC2)C1=O 916217339 LDGHNHFJGYAAHX-LJQANCHMSA-N 457.983 5.088 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 916907919 NWSCGKDZLNFKDH-VWLOTQADSA-N 499.561 6.518 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 916912856 SKVNESJGMIBQNE-INIZCTEOSA-N 475.763 5.339 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)n1 916918941 SWZMSZXPMYQCBZ-OAQYLSRUSA-N 457.580 5.858 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc(-c2ccc(Cl)cc2)cs1 916976408 NTGWEQQAKJFUEQ-SFHVURJKSA-N 466.925 5.852 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)NC1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996782 POEPCSBYRAMQCK-QGZVFWFLSA-N 479.433 5.705 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047543 ZZBUSLPMNKUCIP-SFHVURJKSA-N 455.370 5.825 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2cccc(Cl)c2C)cs1 917533144 DPCCQGRLBIOQEN-UHFFFAOYSA-N 478.430 5.763 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2ccc(C(C)(C)C)cc2)C=C1 917615436 PQSNDJQKIOWHND-UHFFFAOYSA-O 488.677 6.489 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H]1CCN2CCC[C@H]2C1 917659068 VXYAUUGLPCYBHT-SXWKCWPCSA-N 494.636 5.030 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2ccc(Cl)cc2)cc1 917677737 JWKXWLIMNFUNDW-QHCPKHFHSA-N 489.000 5.050 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccccn2)C(C)C)c1 917776487 ZKUKDNYLBSIFBG-UHFFFAOYSA-N 484.021 5.167 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918736962 ZYVNEIVLLAPUSA-OKILXGFUSA-N 498.468 5.338 30 20 JKED COc1cc(/C=C(/C(=O)OCC(=O)N(CCC#N)c2ccc(C)c(C)c2)c2ccccc2)ccc1O 919168533 FLFWLIJWJUTCDO-KOEQRZSOSA-N 484.552 5.048 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 919419935 JEMJUVOEWFFEFE-UHFFFAOYSA-N 471.494 5.395 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 920102187 RGZFCDVMHQRRCM-HXUWFJFHSA-N 452.539 5.450 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccnc(OCc2ccccc2)c1 920109919 WMCNVHAOVPJFIX-HSZRJFAPSA-N 463.493 5.414 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)n2)cc1 920143153 UFAVXIZYUOIQKL-HSZRJFAPSA-N 497.963 5.821 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3cccc(Cl)c3)CCCC2)cc1 920197979 RAWXLVRMKYGXMS-RUZDIDTESA-N 471.988 5.562 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2c(C)c(C)sc2n1 920806887 RXTDGSNDTNOILD-CYBMUJFWSA-N 486.594 5.987 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)COCC(F)(F)F)c1 921252324 HDHIMIHZIPIBJM-KXBFYZLASA-N 497.514 5.062 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3occ(Cl)c3c2)C1 1780107968 UFEDTAIYPCCSRA-ATIYNZHBSA-N 473.013 5.206 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ncsc45)CCC3)cc2)cc1 1785881829 RLFFGDCUWNEEKT-UHFFFAOYSA-N 466.566 5.158 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@@H]4CCc5ccoc5C4)cc3)CCC2)cc1 1786213709 RGQLIOZTDUBSNP-HSZRJFAPSA-N 467.569 5.023 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)CCC2)cc1 1786393374 CIFHBVHBPNQFNY-NRFANRHFSA-N 457.546 5.148 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](F)c3ccccc3)cc2)CCC1 1786612008 SGCOJIKHWWXROC-DHIUTWEWSA-N 495.595 5.301 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)ccnc4Cl)CCC3)cc2)c(O)n1 1787171694 GPXBZVXJESANJQ-UHFFFAOYSA-N 494.954 5.155 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)c1 1787353377 LSBKNFQNXSJDPB-UHFFFAOYSA-N 478.474 5.342 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(CC)nc5ccc(Cl)cn45)cc3)CCC2)C1 1788507704 LTNCQTSSNMPODO-UHFFFAOYSA-N 462.981 5.264 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)c1 1788788316 VOVSKSFXZJHVKX-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3=Cc4ccccc4NC(=O)C3)CCC2)cc1 1789455795 CYOFFGXTJNYNDN-DEOSSOPVSA-N 469.585 5.315 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccs5)on4)CCC3)cc2)cc1 1790289637 ILAVHKIYULNXCW-UHFFFAOYSA-N 468.538 5.336 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC3CCC3)CCC2)cc1 1790521452 KBPSONINVBYFRM-JOCHJYFZSA-N 469.626 5.170 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)cc2)CCC1 1790773897 UGOOVSORAAJMDU-XODNFHPESA-N 488.346 5.592 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4C[C@H](F)[C@H](C4)N3C(=O)OC(C)(C)C)cc2)CCC1 1791440391 SFMGUZQKFQBPDQ-JGOTUQMDSA-N 499.627 5.069 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@@H]4C)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681577 YJZVBKMHCMAQDR-PMOQBDJRSA-N 481.637 5.122 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CN(Cc4ccccn4)C[C@H]3c3ccccc3)cc2)CCC1 1791763430 NGGLDMYXLHJFDZ-WUFINQPMSA-N 494.639 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1 1796503454 LWFXAMXRAZKWSG-KAOXLYBCSA-N 497.561 5.788 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH]c2ccc(Br)cc12 1797882572 IEPIAYHGFJSPIW-ACDBMABISA-N 486.454 5.104 30 20 JKED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](F)c2cccc(F)c2)c1 1799432579 GMHUEAPBRKXUHN-AYEHBTSNSA-N 496.598 5.080 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl)c1ccc(O)cc1 1799548478 NPHJBISABJZRJS-HAGHYFMRSA-N 485.411 5.148 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2 1800228682 RMDPMWRWLBYBRM-XBYSBRQOSA-N 479.646 5.032 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Cl)c2)CCCC1 1802186959 GSNIWWZNMNEXLM-DUNHXPRZSA-N 497.060 5.291 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1802493694 XLLJILBFQMOYBN-ZEQKJWHPSA-N 465.613 5.242 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1802503789 UFRXAMDULBDSBO-JPYJTQIMSA-N 497.064 5.657 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[C@@H]1c1cccnc1 1803210718 JZQKBJCVWRLUFC-XAISMOLKSA-N 481.587 5.162 30 20 JKED N#CCc1ccc(C(=O)N2CCC3(CCCN(C(=O)C4(c5ccccc5)CCCC4)C3)CC2)cc1 1805240766 ZJBKPAJXWHYLDK-UHFFFAOYSA-N 469.629 5.109 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3c(Cl)ccc(OC)c3F)CC2)C1 1805459276 IFKSSOPHFKQMAA-UHFFFAOYSA-N 477.020 5.030 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1807483974 YQTCMFXTWTZGRC-NOOLENRPSA-N 485.628 5.310 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccccc3C(F)(F)F)C2)CC1 1809229773 MYBNYDFSOOHNBY-OAQYLSRUSA-N 462.556 5.248 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(O)c3cc2OC)[C@H]1c1cccnc1 1810183892 YOXJHIIGJNODCE-JWZKTCGFSA-N 499.611 5.037 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1810447317 LNVHKTUETZYHSF-CSLKCKJJSA-N 493.651 5.478 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[C@@H]2c2cccnc2)C1 1812217428 LAKMXJWEDMAADH-IDISGSTGSA-N 480.568 5.109 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1F 1813864347 ZOZOQVHITMUAJK-BFJTUWMXSA-N 498.602 5.109 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)CC3CCC(C)(C)CC3)[C@H]2c2cccnc2)c1 1813868705 QJAHZDAGNAZYGS-RZLJKOCPSA-N 486.660 5.635 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c1Cl 1813879266 OSQFPVRTALMOAZ-CUNXSJBXSA-N 499.014 5.119 30 20 JKED CCOc1ccsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1814342541 KXALTIRFQPBVPP-IBGZPJMESA-N 486.714 5.227 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)[nH]n2)cc1 1814497551 CFFDRLPTIIZQDA-QENXHYHDSA-N 473.621 5.123 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)[nH]n1 1814828509 CWEIAXLDBRWABV-DEOSSOPVSA-N 473.577 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)C(C)(F)F)n[nH]2)c1 1815338825 QLDIBYCBVKQHGQ-HNAYVOBHSA-N 457.525 5.024 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c1 1815786451 XVIBLCFEKRSERI-HTOVTZSWSA-N 492.583 5.101 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)cnc2C)n[nH]1 1816116937 ANPYPEVSZSHYKJ-IBGZPJMESA-N 488.430 5.174 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1 1816462906 KAJKKOUYZOGMDU-NRFANRHFSA-N 459.550 5.100 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(C(F)(F)F)coc3C)sc2C1 1817673104 ZGEFKNJQRWJEDW-CQSZACIVSA-N 467.513 5.058 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)[nH]n2)[nH]c2c(Cl)cccc12 1817945551 ACZLEODBINMYOY-LAUBAEHRSA-N 474.030 5.113 30 20 JKED C=CCC(CC=C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc4nc(C)sc34)sc2C1 1818142709 ALBNIIMCIYCNDM-INIZCTEOSA-N 466.632 5.055 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)o2)n[nH]1)c1ccccc1 1818426804 NKLFEJDZELOJFP-UYAOXDASSA-N 464.953 5.159 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(F)CCCCC2(F)F)n[nH]1 1818889092 AMJMWRYXVREFLI-VGOFRKELSA-N 454.537 5.312 30 20 JKED COc1ccc2oc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)cc2c1 1819004094 PRBZLHCOWPCRCN-HXOBKFHXSA-N 497.555 5.411 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819029157 IHQYHBBWTIHXCM-CYBMUJFWSA-N 450.536 5.203 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820101269 QKZRNDZUGYZJSX-OAQYLSRUSA-N 473.602 5.377 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@](C)(OC)c3cccc4ccccc34)n[nH]2)C1 1820702941 RXEIKTMVYDUFMW-UFHPHHKVSA-N 472.589 5.083 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821089562 LBIGIBZHEQRUCR-UGSOOPFHSA-N 499.921 5.189 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc(F)c(F)c(F)c3)[nH]n2)c1 1821326372 VKLSJKLPUOWHEU-BDNZGDGKSA-N 493.489 5.026 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)[nH]n1 1821924622 FGVYUURCUOJPAD-KSSFIOAISA-N 474.487 5.109 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1821924737 GVWOTLPKLYNIEU-VFNWGFHPSA-N 451.958 5.129 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)c1Cl 1823183906 OCWJXRIVKUFSPR-FQEVSTJZSA-N 465.916 5.002 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)n[nH]2)cc1 1823287801 ZAGMJAUKLOHXMM-MHZLTWQESA-N 489.579 5.762 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)ccc1F 1823292156 DBFLLODCPHKKBV-QHCPKHFHSA-N 489.551 5.136 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1)c1ccc(Cl)cc1 1823374562 FCWSYOPLCLAQCA-IRLDBZIGSA-N 468.001 5.189 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823683323 RZZRDSPRSJAVGT-RDPSFJRHSA-N 495.714 5.353 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1823703224 SXRRKGWMMLDWOT-VWLOTQADSA-N 456.586 5.786 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1824051514 OCBQKBYNPHENMF-AREMUKBSSA-N 496.026 5.146 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1824145193 VWHAHXXBSJFYSO-TYBKAHOSSA-N 468.613 5.236 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1824510089 JJGNCEMCIXGMCE-KBMIEXCESA-N 484.040 5.021 30 20 JKED O=C(Cc1ccc(F)cc1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826669234 KJBYWBOJGFLYDK-IBGZPJMESA-N 496.467 5.349 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nccc3occc23)CC1)c1ccccc1 1827302486 SMNQOBLQZPWSOF-RSXGOPAZSA-N 483.612 5.258 30 20 JKED CCc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc(C)n1 1827927486 ACESXRBOZACJPO-NFQMXDRXSA-N 472.633 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828245601 OWVYJKGNYDPEJI-RSXGOPAZSA-N 462.634 5.207 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1828268722 QWMXBOJSDOYJKM-GOSISDBHSA-N 498.496 5.026 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1828459331 LURDNLBHUQMBCI-IUQSQAPCSA-N 459.675 5.014 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828510898 YVVMSHINECNSJU-XMMPIXPASA-N 487.566 5.614 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1828903841 NDMXLIQYTSDCTH-ANYOXOOPSA-N 496.690 5.390 30 20 JKED Cn1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc2ccccc21 1828905250 MHBVFXHFNTUAHZ-SANMLTNESA-N 491.752 5.463 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3nn(C)cc3c2)CC1)c1ccccc1 1829034620 AVTKRMVQBDNEME-YTMVLYRLSA-N 496.655 5.004 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3ncccc23)CC1)c1ccccc1 1829035063 KRTQYCYNXCTKEZ-LEAFIULHSA-N 494.639 5.060 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829597532 CVOJGGVSRHPMAY-DEOSSOPVSA-N 473.642 5.543 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685968 UGRTYVCFVVQEID-YADARESESA-N 496.076 5.626 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1829975115 IZEVTATYUCEPDF-QHCPKHFHSA-N 470.400 5.412 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 1830027815 NYQHTHRWRZVVOM-QHCPKHFHSA-N 470.400 5.412 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1)Oc1ccccc1 1831235288 OLGZAVKAKZGESV-JWZKTCGFSA-N 487.644 5.405 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1831443842 BHGFVAMPEDBRPI-OAQYLSRUSA-N 491.966 5.440 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCCCC2)CC1)c1ccc(O)cc1 1831924420 DDYOTNUNEQXBOE-XNMGPUDCSA-N 464.650 5.089 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1832029936 YDLNPCPQFYZOBO-QHCPKHFHSA-N 463.647 5.237 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634334 PSSZQKXXICOAKU-CLOONOSVSA-N 479.571 5.447 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1834464433 ZPEZOXDIODSNTB-LBNPDIFZSA-N 479.709 5.156 30 20 JKED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)C1 1841409358 IZNDIWLYUIQEMC-UHFFFAOYSA-N 450.957 5.029 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1846010576 QLPCUIBKRMFWOA-UHFFFAOYSA-N 450.957 5.029 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4c(Cl)cccc4s2)C3)c1 1846830154 TXIPXLHNPMNBFT-MRXNPFEDSA-N 463.990 5.313 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2cccc(O)c2)cc1C 10172791 GEJZUUQGKRJGPD-UHFFFAOYSA-O 457.522 5.257 30 20 JKED Cc1c(Cl)cccc1-n1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nnc1-c1ccncc1 10318120 IWFUDDSNWZMOKD-INIZCTEOSA-N 474.977 5.282 30 20 JKED N#Cc1c(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)sc2c1CCCCC2 12682394 CYJAYESVWLDNQV-UHFFFAOYSA-N 493.199 5.693 30 20 JKED CC[C@@H](C)c1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)S2)cc1 15231629 ZLLKILIDYLHFNK-ACJLOTCBSA-N 463.575 5.763 30 20 JKED O=C(C[C@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1ccc(F)c(Cl)c1 15231826 MBEPDWUAXAYZTG-OAQYLSRUSA-N 483.952 5.306 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nc2sc(C)c(C)c2c1=O 21253654 CJAGNJQHNUJXFD-INIZCTEOSA-N 469.632 5.219 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nnc1-c1ccoc1C 21740576 NAEQYQQJWPPSCB-UHFFFAOYSA-N 478.622 5.559 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 22012031 UFYYVOAUUHYANT-CYBMUJFWSA-N 463.390 5.566 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)cc1 22283591 QDFGWCHERZPZDI-IBGZPJMESA-N 463.607 5.779 30 20 JKED COc1ccc(-c2cc(/C(O)=N/c3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)sc2C)cc1 22298319 RDJTUPSRIGUQCX-HUUCEWRRSA-N 457.621 5.434 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 23639874 ZRKFRRJOJNFRQP-KRWDZBQOSA-N 480.634 5.565 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc3c(c2)CCCC3)c1C 28695891 FVEDFCDHVARSAC-UHFFFAOYSA-O 474.650 5.668 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(=O)c2c(-c3ccc(C)cc3)c(C)sc2[nH]1 32787548 XWNBPFYXTKKWLM-UHFFFAOYSA-N 499.665 5.929 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC)CC(=C)C)ccc1Cl 57613945 OXIOFQMHOXTLGZ-UHFFFAOYSA-N 467.418 5.413 30 20 JKED C=CCc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cc(OC)c1O 60217553 CEJVFSRTMIUYDV-LDADJPATSA-N 464.974 6.552 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 60276982 IITFVOLBOGFTEI-UHFFFAOYSA-N 470.598 6.370 30 20 JKED C=CCn1c(SCc2nc3c(oc4ccccc43)c(=O)[nH]2)nnc1-c1ccc(C(C)(C)C)cc1 104936020 STLSTMXZHACAHH-UHFFFAOYSA-N 471.586 5.704 30 20 JKED COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 109183404 UREMNTCAMBHCGA-UHFFFAOYSA-N 452.514 5.087 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2n1C(F)F 195727838 XYRXOEYXPJVXOD-LLVKDONJSA-N 463.296 6.352 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1-c1ccccc1F 216105620 VCOPABUQYRJBCT-UHFFFAOYSA-N 456.543 5.737 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)c2)cc1 409809425 CMRFWKXPMQWIQG-UHFFFAOYSA-N 478.430 5.653 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 482725803 QLBJDYCFTDEXMG-UHFFFAOYSA-N 464.550 5.287 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1 483664244 DIPJXPBWBDOFMS-UHFFFAOYSA-N 475.957 6.176 30 20 JKED Cc1nc(CSc2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc2)cs1 487843615 PWBXRWXVSJASPM-UHFFFAOYSA-N 461.534 5.820 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 488615028 TVGJSIKYMBUDOY-UHFFFAOYSA-N 462.358 5.782 30 20 JKED Cc1nc(SCC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C#N)c(C)c1C 491218248 PGUWQIANUZCWBD-SFHVURJKSA-N 476.577 5.239 30 20 JKED COc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 503885108 JTSFUBRMIJAOTH-FQEVSTJZSA-N 465.937 5.343 30 20 JKED CCN(C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)[C@@H](C)c1ccc(C#N)cc1 504329501 RKOMVDKXIQFUAE-HNNXBMFYSA-N 456.377 5.792 30 20 JKED CC(C)CCN(CCC#N)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 505165236 WINNRUIUQIVIRZ-UHFFFAOYSA-N 454.621 5.085 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)c2)cc1 507733893 SUZMGWFQTLSADF-MHZLTWQESA-N 455.558 5.545 30 20 JKED N#CCCCCNC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 509347868 GHTQNWQWSAVBNY-LJQANCHMSA-N 451.423 5.147 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 510008138 ZFNZDPYGXWQWGQ-UPVQGACJSA-N 473.939 5.779 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NCc1ccccc1Cl 512961993 NGDZTDWXEBVYHF-OAHLLOKOSA-N 477.417 5.147 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccccc2OCc2ccccc2Br)nc2ccccc21 513670777 BLTKIVSAKLUDAM-GOSISDBHSA-N 460.331 5.405 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)oc2c1ccc1ccccc12 513695741 LECTYTCOEMCUSB-GOSISDBHSA-N 453.523 5.974 30 20 JKED C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H](C)O1 516105297 NISXUWZIRNHJSC-VXKWHMMOSA-N 485.653 5.390 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccc(F)cc1F 516129008 WRYOZPAPCSXDBD-HXUWFJFHSA-N 462.887 6.020 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 516322612 PJGYQZIUTHQLES-XMMPIXPASA-N 477.358 5.113 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)ccc2c1 516591665 IGBJJZCZQYNDLY-UHFFFAOYSA-N 465.509 5.109 30 20 JKED N#Cc1c(CCCNC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)nn(-c2ccccc2)c1N 516694206 MHVMYSKDDQGMMV-HSZRJFAPSA-N 491.020 5.062 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cccs2)nnc1-c1ccc(Cl)cc1Cl 517382824 VYUAQZOANSKPEF-ZDUSSCGKSA-N 467.447 5.811 30 20 JKED CC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1OCC(=O)N1CCCC1 517473443 OEZAQEJQGPAROB-CTNGQTDRSA-N 480.634 5.212 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 517810264 UVLVMUGLKUAEFV-UHFFFAOYSA-N 459.933 5.484 30 20 JKED Cc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C 518675880 UOGILJWFKMVGLE-HXUWFJFHSA-N 475.536 5.630 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(CN3CCCCC3)c2)c1 520160338 NFEAXVMBZZVLGM-UHFFFAOYSA-N 484.625 5.527 30 20 JKED CN(C[C@@H](O)COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 520586319 RMJLCGJJYLCMRA-OAQYLSRUSA-N 465.937 5.045 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 521326747 DTCSDFJHRHDBGE-MRXNPFEDSA-N 494.414 6.348 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(OCC(F)(F)F)cc1 521412446 FRSDNRTULKMOKR-SFHVURJKSA-N 483.490 6.155 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C2CC2)cc1 523967003 SMTMCABIIVLOSU-RUZDIDTESA-N 468.557 5.150 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCC(Cc2ccc(F)cc2)CC1 586792084 FWGLJADSQINZAM-HOTGVXAUSA-N 454.430 5.699 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)N[C@@](C)(C#N)C4CC4)o3)c3ccccc3n2)cc1 603597237 ABTQIDHKJWMHCP-SANMLTNESA-N 469.570 5.161 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3csc(NC(=O)c4ccccc4F)n3)c2C#N)C1 603730804 QQIMTPMLBOWPSP-AWEZNQCLSA-N 496.633 5.800 30 20 JKED CCN(C(=O)c1cncc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c1)[C@@H](C)c1ccc(C#N)cc1 603737354 BXGQOLXOHAZFBV-OYRHEFFESA-N 479.584 5.272 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 603855701 FEFKUPNWQLDFLB-OAQYLSRUSA-N 463.409 5.096 30 20 JKED CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 604142364 KBSAKTRFKIHECU-KOSHJBKYSA-N 475.976 5.599 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3nc(C4CC4)n(-c4ccccc4Cl)n3)cn2)cc1 604528267 LQKKHTUVHVRSLK-UHFFFAOYSA-N 456.893 5.109 30 20 JKED CCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1[N+](=O)[O-] 609062573 BWFRLMUECPLMJG-UHFFFAOYSA-N 451.866 5.350 30 20 JKED Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)nc1 609078832 AFARYPZPVJVLLU-UHFFFAOYSA-N 483.572 5.032 30 20 JKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609086206 OECGGKCCHQCESA-XMMPIXPASA-N 471.557 5.116 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 609098334 PLXHLOBPCFMSGH-XMMPIXPASA-N 492.501 5.745 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N 609437014 KNGPDUOXNXUEGA-DNVCBOLYSA-N 474.424 6.221 30 20 JKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 613005326 CYTCARMVNXQYSN-NSHDSACASA-N 486.359 6.072 30 20 JKED C=CCn1c(SCC(=O)Nc2c(-c3ccccc3)ncn2C2CC2)nnc1-c1ccc(Cl)cc1 624914631 HHJYMWAUQDBFKU-UHFFFAOYSA-N 491.020 5.714 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2cc(Cl)ccc2c1=O 662768063 KFXXQXLTAUAGCL-KRWDZBQOSA-N 494.020 5.158 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(OC)ccc1OC 726397521 OTXOKLNGFVABEK-JOCHJYFZSA-N 469.607 5.081 30 20 JKED CNC(=O)C[C@@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N([C@@H](C)c2cc(C)sc2C)C1=O 726398266 BKIXAYSPFPSMIX-KBYZMHEHSA-N 483.581 5.081 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(C)C)cc2)cc1 726411929 PNJXQDVIIWXYMT-DEOSSOPVSA-N 495.645 5.061 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(C3CCN(C4CC4)CC3)C2=O)cc1 726420397 LOLAYGLPRZWGNP-HOSTVDGGSA-N 496.702 5.073 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)cc1 726420437 LRNBGQYBXCWXCV-WNBREWMXSA-N 478.643 5.350 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@H](C)c2ccc(Cl)cc2Cl)[n+]2ccccc2)C=C1 726569778 JCXXDJTZKBLATM-OAHLLOKOSA-O 487.432 5.613 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)cc1Cl 726570481 ASAQYHPNNDKALB-UHFFFAOYSA-O 482.963 5.979 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3OCC(F)(F)F)n2)cc1 727955923 XZUFBXZMLFLGMC-INIZCTEOSA-N 462.449 5.015 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@H](c3ccccc3)N3CCOC3=O)cc2Cl)cc1 728244237 JIGWDDIMNVSDOV-JOCHJYFZSA-N 461.905 5.526 30 20 JKED Cc1cc(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)c(C)n1-c1ccc(C#N)cc1 728273128 NIDUOUOSUSBJFU-UHFFFAOYSA-N 462.966 5.151 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 728423174 POFFTQBYYSWWSS-ZHRRBRCNSA-N 489.988 5.328 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3scnc3C)C2=O)cc1 729144787 FUDWLMNJGBJTSA-OAQYLSRUSA-N 492.626 5.123 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Oc1c(Br)cc(C#N)cc1OCC)O[C@@H](C)C2 730468750 ZOPKOXZXNBABDG-QANKJYHBSA-N 486.362 5.151 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 730646618 WJZAFECOLKYGQG-JXFKEZNVSA-N 475.353 5.298 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1[C@H]1CCc2c(Cl)cccc21 730708248 CFBNUAZVJCNWJX-LEWJYISDSA-N 492.004 5.086 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCCc2c[nH]c3ccccc23)C1=O)NC1CC1 730713075 LNSOPPDYKDYFNH-JOCHJYFZSA-N 499.011 5.193 30 20 JKED Cc1sc(NC(=O)C(C)C)c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C 731080131 IERKHAGHRBHRJY-AWEZNQCLSA-N 473.620 5.149 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)c(C)c1 731313498 YDZVEWGSONTIGB-XMMPIXPASA-N 484.581 5.041 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 744843723 UWWHYQMHAACJBO-IBGZPJMESA-N 461.512 5.052 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 746696780 URYPVGGLIGNPTQ-NRFANRHFSA-N 474.026 5.425 30 20 JKED Cc1ccc(-c2ncc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)c(C)c1 747260601 JKZVIFSSXDBJEA-AWEZNQCLSA-N 451.573 5.033 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c1 747603051 OQPALMGBLCUNGY-JOCHJYFZSA-N 478.643 5.483 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CSCc1ccc(Br)cc1F 748006825 PPZYZARZEGARFC-INIZCTEOSA-N 459.340 5.203 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 749313832 UYSVZRRVMMMTJT-IBGZPJMESA-N 477.586 5.398 30 20 JKED CCCC1C/C(=C\c2cnc3c(c2)c(C)nn3C)C(=O)/C(=C/c2cnc3c(c2)c(C)nn3C)C1 750897114 WSTXCQHVIUBIFH-OIEABDAFSA-N 454.578 5.113 30 20 JKED COc1ccc(-c2nc(/C=C\C(=O)c3ccc(OCC(=O)Nc4ccccc4)cc3)cs2)cc1 797125461 QZEONZAHNRLCSB-WJDWOHSUSA-N 470.550 5.732 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1CC(F)(F)F 799222501 AKDAGQYLHGEQMZ-GOSISDBHSA-N 499.942 5.434 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)nc(O)c2C#N)cc1 824955238 VNYHUOLHQJEIBZ-LBPRGKRZSA-N 489.384 5.006 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccccn1 837301623 MLZJARBMEIXTEB-JTSKRJEESA-N 462.550 5.251 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@H](C)c3cccnc3)C2=O)c1 837906802 JHEUGJZTLQUMEG-WZONZLPQSA-N 493.032 6.073 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 838392839 XSWDVZXCRKAPRX-VFNWGFHPSA-N 499.423 6.110 30 20 JKED C[C@H](SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 849191810 WQYMZGHGTHSQQY-BDFKGGEMSA-N 470.529 5.201 30 20 JKED Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C#N)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 914866950 BVPCTZFMXXUQMA-UHFFFAOYSA-N 492.366 5.129 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103128 OYBOSAWFEUJQPZ-UGKGYDQZSA-N 482.392 6.257 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 915179700 GIUFSBQXDHRLSB-XMMPIXPASA-N 455.583 5.309 30 20 JKED C[C@@H](OC(=O)c1csc(Cc2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 915453529 CZLCFODGGGBIPJ-OAHLLOKOSA-N 465.600 5.120 30 20 JKED C=CCN(C(=O)c1nc(-c2cccs2)oc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 915829401 PEDIPVBIURJOKS-UHFFFAOYSA-N 485.612 5.071 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1nc(NCc2ccco2)ncc1Cl 915851380 UAYDNCNFQZFGMF-UHFFFAOYSA-N 475.911 5.501 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc(OCc2ccccn2)c1 915945074 XSXDYNDEEKZRIE-UHFFFAOYSA-N 486.984 5.943 30 20 JKED COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1Cl 916137565 MFCDFVLUHYBKDP-PKNBQFBNSA-N 456.325 5.916 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccco3)C2=O)cc1 916216837 ZVMMYLAJKJAPIZ-QHCPKHFHSA-N 475.570 5.260 30 20 JKED CCOc1ccc(Oc2c(C=Nn3c(C)nc4ccccc4c3=O)c(C)nn2-c2ccccc2)cc1 916292792 MJKMHYMQUFXMSU-UHFFFAOYSA-N 479.540 5.272 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccccc3)o2)c(Br)c1 916307764 PBXIDYBYBCDCCF-UHFFFAOYSA-N 470.308 5.047 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)s2)cc1 916901398 HEFDMBPEPJTJFE-MRXNPFEDSA-N 469.950 5.059 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1Cc1ccccn1 916909215 PEFNMWHRGOWKBJ-DEOSSOPVSA-N 464.525 5.302 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042710 FZCKQYSVOJQJHZ-BDJLRTHQSA-N 463.506 5.631 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc(OC)c1OC 917562290 ZFPYVJSMAQZCIY-FLIBITNWSA-N 452.532 5.058 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)ccc1OCc1cccs1 917644794 LDQFRIUYTHDTLS-CIAFOILYSA-N 464.593 5.613 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cccs3)C2=O)cc1 917703611 NQHPNLDAHAMANS-OAQYLSRUSA-N 460.584 5.089 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C(C)C)c2)n1 917712133 FBYXFWHZEXRLGA-XMMPIXPASA-N 490.604 5.813 30 20 JKED CC(C)c1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)cc1 918311206 IOZJTRCFYOTKME-HHHXNRCGSA-N 451.570 5.595 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3sccc3s2)n(Cc2ccc(F)cc2)c1C 919627447 AMTKCCBUJUCFQB-UHFFFAOYSA-N 467.547 5.236 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CSCc2ccc(Cl)cc2Cl)cc1Cl 920112278 ZZUFFJGWZCDJEL-AWEZNQCLSA-N 457.766 5.236 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2cc(C(F)(F)F)ccc2s1 920112682 GRTDPRBMMBGRFF-OLZOCXBDSA-N 498.313 5.851 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 920141920 NQEYHNPRMIRMJH-GOSISDBHSA-N 459.918 5.194 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C[C@@H]1CCCO[C@H]1c1ccccc1 920352838 UUYDMNDSTJRYKJ-SYVJQLTCSA-N 491.657 5.072 30 20 JKED C=C(Br)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 921044059 MCFFQOMOSJRNCI-UHFFFAOYSA-N 478.243 5.025 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)cc2C)C1 1781163585 LCYIXTIXPPCBBE-YBGOQADZSA-N 479.448 5.198 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785795116 SARKHNUKVXUTOJ-UHFFFAOYSA-N 489.616 5.137 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc(Br)c4[N+](=O)[O-])CCC3)cc2)C1 1785810363 OYZPNCUZVUAUMX-UHFFFAOYSA-N 484.350 5.071 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC[C@@H](C)N(C(=O)OC(C)(C)C)C4)cc3)CCC2)C1 1785814760 JMVLVTRDNYRGBU-WOJBJXKFSA-N 481.637 5.122 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)CCC1 1786056423 SXRTUOXTCRHZLD-VJBWXMMDSA-N 481.637 5.026 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ncc(F)cc4F)cc3)CCC2)c1 1786536589 FZHBSKHNVRYLCV-INIZCTEOSA-N 460.484 5.048 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)CCCOc4cccc(Br)c4)CCC3)cc2)CC1 1787878725 GRVXBMLVYNOXLR-UHFFFAOYSA-N 496.405 5.046 30 20 JKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1)c1ccc(O)cc1 1788649930 KEZOJNWKCYVTKQ-KAUXGEHWSA-N 474.582 5.130 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc4c(c3)C(=O)CC4)CCC2)cc1 1788650050 SHKLVCJEXUOSQF-OUKQBFOZSA-N 484.577 5.064 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C(F)(F)F)[nH]c34)cc2)CCC1)C(F)(F)F 1789056258 FZGGVNLXYKQHBS-UHFFFAOYSA-N 496.411 5.448 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)CCC1 1790328514 XLXKFQFMVCXLNI-JOCHJYFZSA-N 499.558 5.182 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1790567281 JZGCIKATMKTHRG-FQEVSTJZSA-N 470.573 5.297 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)[nH]4)CCC3)cc2)cc1 1790706564 LEHNAWRWNJEOAS-UHFFFAOYSA-N 466.463 5.161 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4F)CCC3)cc2)c1 1790765084 QQBRNQNZCBRACX-UHFFFAOYSA-N 470.479 5.379 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5c(Cl)cccn45)CCC3)cc2)c1 1790795073 SYSFIYRJZCRMQF-UHFFFAOYSA-N 483.959 5.229 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5ccc6occc6c5)CCC4)cc3)c2c1 1790835133 MNKHPOLNAGKMJU-UHFFFAOYSA-N 475.508 5.242 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(OC)c3)CCC2)cc1)C(F)(F)F 1791305754 RWCQTPLQSDSYTA-UHFFFAOYSA-N 452.860 5.215 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)cc4C(F)(F)F)CCC3)cc2)CCC1 1792234058 GILJHZSRFZOFFA-UHFFFAOYSA-N 459.443 5.286 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1793051528 KECZEVOQFZXSJM-QEIWAGNOSA-N 467.613 5.627 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCCC1(F)F)c1ccc(C#Cc2ccccc2)cc1 1793720775 IJTPNXMZZYUGIV-XDZVQPMWSA-N 476.567 5.164 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)c1 1797987232 VRLGZHKQTIQAEU-RWXMBLCBSA-N 494.517 5.379 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cnc3ccccc3c1)C2)c1ccccc1 1798555231 MWACWNCVTHRMRR-PUHABZHSSA-N 479.624 5.003 30 20 JKED Cc1cc(Cl)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)c1 1800744509 YUAJQSAHQOKUIZ-WKCHPHFGSA-N 475.898 5.105 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)c1 1801081913 JLOQCMPSAOUTDP-LZQXYRQZSA-N 492.579 5.621 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)c(C(F)(F)F)c1 1801561078 LWMQMKYNWNKGQT-BCDXTJNWSA-N 454.508 5.018 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)C1 1805456232 LDLWLAPXKKCSMG-UHFFFAOYSA-N 481.040 5.343 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)C1 1805456817 IJPFFDOVMYFSJJ-UHFFFAOYSA-N 498.465 5.544 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)Cn3ccc4c(F)cccc43)C2)CC1)c1ccccc1 1805463827 DIZRPKDOGCCARF-VWLOTQADSA-N 499.630 5.209 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)C1 1806015189 OCXIQCKCQBACMP-ZEQKJWHPSA-N 454.655 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(OC)cc3)C2)CC1 1810397722 FCBORFZNLVCFIR-UHFFFAOYSA-N 489.660 5.594 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1810500489 QZUWPBOZLKOPLT-QPPBQGQZSA-N 476.646 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCSCc2ccc(C)cc2)[C@@H]1c1cccnc1 1810501960 FTPQWOXCSVLLCP-XNMGPUDCSA-N 493.717 5.712 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1810503556 QIUAWUADQFJATJ-SIKLNZKXSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810953790 REQGMZWMWXXBOV-GCJKJVERSA-N 491.529 5.552 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4ccccc4)n4ccccc34)[C@@H]2c2cccnc2)C1 1811266871 OZWDSNCJFXYGSL-OUTSHDOLSA-N 490.607 5.287 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)[nH]c12 1811741730 BOABODSZEJMDLU-HFZDXXHNSA-N 497.986 5.030 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811748855 DMOZFSIXFAWULK-SBUREZEXSA-N 497.357 5.033 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814379625 IHHSGUHCPVBYQL-DEOSSOPVSA-N 487.629 5.007 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2occc2Br)[nH]n1 1814442769 YWYATZUCCKGLKE-INIZCTEOSA-N 463.376 5.064 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)C#N)n[nH]1)c1ccc(Cl)cc1 1814566141 WRZIEHKMTJTOIL-CTNGQTDRSA-N 455.990 5.045 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)COc3cccc(Cl)c3)n[nH]2)c1 1814668786 BKFJNZSHJXWUFM-GAJHUEQPSA-N 491.979 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCC(F)(F)CC3)n[nH]2)c1 1815023179 QZFWXSMNZSLCMN-IERDGZPVSA-N 469.536 5.168 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1 1816462712 DEDANHJSAOQPED-NRFANRHFSA-N 459.550 5.100 30 20 JKED Cc1scc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1C 1816615877 RWAXFGZTJIIUIL-NYHFZMIOSA-N 461.591 5.335 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818115489 FWBWJTLTLVENEN-KNJPYWDESA-N 476.602 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)n[nH]1 1818161988 JYDZLYSHQKSAQQ-RXVVDRJESA-N 490.633 5.311 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cc[nH]c34)n[nH]2)c1 1818773322 MSRKQGVJBVAGPE-HXOBKFHXSA-N 466.545 5.138 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1819302399 DMJGQNAOTTXXHY-DGWZTRNLSA-N 489.664 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)[nH]n1 1819555376 DCSJVROIVMLJRO-HNNXBMFYSA-N 469.533 5.183 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1820973280 DYYLRZNDOCCCRV-CYFREDJKSA-N 489.576 5.309 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1821920049 GUVKJKZJLBCXFO-AUUYWEPGSA-N 453.974 5.371 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1821987716 OVUOHHLLKCMRQE-QGZVFWFLSA-N 484.906 5.118 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2cccnc2)n[nH]1)c1ccccc1 1822913620 KVUIMLDNJIUOMV-AZGAKELHSA-N 483.616 5.017 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cncc(C(F)(F)F)c3)[nH]n2)c1 1823217566 NEXCXQFTVFSHBV-BTYIYWSLSA-N 496.493 5.070 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)[nH]n2)cc1C#N 1823291528 XGQFYTHZPJZAQD-LJQANCHMSA-N 487.551 5.056 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(F)CCCC=C2F)n[nH]1 1823584961 OLQAEEDAHBAQFI-NTKDMRAZSA-N 476.644 5.199 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1Cl 1824037609 FWJYECCYXIJWKP-DSITVLBTSA-N 494.010 5.388 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)CC1 1826204398 WREWWSBNVPAISA-QZTJIDSGSA-N 469.573 5.164 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2ccccn2)CC1)c1ccccc1 1829035249 NTEYGSAABJKSCO-RVVSJWLRSA-N 485.672 5.077 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4occc4n3-c3ccccc3)CC2)C1 1829569686 AIYONEJVYZBVDI-DEOSSOPVSA-N 471.601 5.423 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3)CC2)cc(C(F)(F)F)c1 1829963675 VCRBRRBPGMRSND-QHCPKHFHSA-N 487.497 5.263 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1830011254 CKNPKKAVRMRXBF-VWLOTQADSA-N 474.992 5.240 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3Br)CC2)cc1 1830011314 HVKFXDOWEINKEL-QHCPKHFHSA-N 498.396 5.007 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c(F)c1 1830016811 LUQIMKGOVBQWGY-AREMUKBSSA-N 477.580 5.032 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830531192 AMJPAUWYPRJNST-QFIPXVFZSA-N 466.519 5.271 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830596385 BXXOERWLPIGLLA-DHIUTWEWSA-N 460.684 5.052 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830609046 VZNFNYCBPKYHOV-HHHXNRCGSA-N 459.634 5.131 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 1830628811 MJTUPEDFJMNNMC-MUUNZHRXSA-N 465.597 5.453 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)ccc2c1 1830718913 ONUPBXFJBKQDDY-HHHXNRCGSA-N 484.575 5.101 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1 1830719132 XXSRMSVHVGNMES-JOCHJYFZSA-N 488.390 5.551 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830784916 WKLXHURPRMCKLH-HTAPYJJXSA-N 482.452 5.336 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 1830806103 KZPZIWILTWPENK-GOSISDBHSA-N 458.908 5.048 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806476 VOCDBUMZWGDJKU-CCLHPLFOSA-N 496.598 5.456 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@H]3SC=C[C@H]32)CC1 1831164100 QPUBOCUSFRMWMI-FKWFRFQNSA-N 496.676 5.195 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1831447861 XFEXJRDYSCSDOQ-IBGZPJMESA-N 476.461 5.289 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1)C(F)(F)F 1831453830 MXRKEMHVQCWARL-NRFANRHFSA-N 479.930 5.240 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1832034046 FXBWEXGYYQBKGF-VWLOTQADSA-N 466.025 5.315 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1832632757 BNWHMDOXKJYLTM-UKQDAHLNSA-N 463.666 5.763 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c1 1832633172 DLYKERZDRJIYIO-VGOFRKELSA-N 470.038 5.576 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(F)CCCC=C3F)CC2)cc1C#N 1832704757 SHQFQYCUFMYRSU-LXFBAYGMSA-N 499.602 5.324 30 20 JKED O=C(CC1CCCC1)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1837610035 ZKFPJOHYGPFMMD-UHFFFAOYSA-N 498.667 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccccc3Oc3ccccc3)C2)c1 1844868482 WWWBMXLQEANIFH-OAQYLSRUSA-N 465.553 5.237 30 20 JKED C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 11209597 TYOVZCUFFUDRPD-SFHVURJKSA-N 459.600 5.423 30 20 JKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(F)c1 11559635 GVQDXZPAZVKTBC-XMMPIXPASA-N 456.546 5.354 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)o2)cc1 11648140 GMPCGMOJMIKFEJ-UHFFFAOYSA-N 474.561 5.170 30 20 JKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2sccc2C#N)cc1 15225125 TXJCSNDIQSCCGV-NBVRZTHBSA-N 495.560 5.459 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccccc2)cc1 15247715 ZDFGYXNAFNFBJZ-UHFFFAOYSA-O 468.440 6.085 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 15848674 QTCONFKIRDBTIN-WMLDXEAASA-N 467.660 5.505 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nc2cc(Cl)ccc2c1=O 18259778 HRRZEYIHKAIWCH-LBPRGKRZSA-N 497.001 5.647 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22731257 CISYIUHQVMEPNI-UHFFFAOYSA-O 459.635 6.036 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 23501042 FBAJYHCYVCPOCO-OAHLLOKOSA-N 475.064 6.053 30 20 JKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 26256905 FRBWMKCTQNZQAA-UHFFFAOYSA-N 492.992 5.144 30 20 JKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSC2=Nc3ccccc3CS2)cc1 26278169 YLLOPUCRPMFGPB-UHFFFAOYSA-N 462.600 5.581 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2Br)o1 195731940 BTVUAYRVJQZEOM-UHFFFAOYSA-N 452.352 5.346 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nc(O)c2ccccc2n1 255930302 CYMMIGXQMOCKDC-CQSZACIVSA-N 453.955 5.199 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(Br)cc1 255947775 ZSCBEVBDZLNPSK-MRXNPFEDSA-N 494.414 5.543 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)nnc1-c1ccccn1 479886608 FHDCFMDEWGZLQX-UHFFFAOYSA-N 476.631 5.306 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC(=Cc4cccc(F)c4)CC3)cc2F)c1 480969734 HGZBIMUXCBZNOY-UHFFFAOYSA-N 487.506 5.060 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(Cl)cc1 481626623 OBLWJHOLCBYQCK-XMMPIXPASA-N 489.938 5.574 30 20 JKED CC[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1OCC(=O)N1CCCC1 482783281 UECLBXJCPZRCLA-AREMUKBSSA-N 483.568 5.233 30 20 JKED CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 486540385 ZNSHKUBISFEVEI-UHFFFAOYSA-N 497.576 5.424 30 20 JKED COc1cc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc(OC)c1 487452093 VTGKEBKERYAQAH-UHFFFAOYSA-N 475.492 5.213 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nccn1Cc1ccccc1 497319042 NEYYLUVSVZRQRV-UHFFFAOYSA-N 451.983 5.234 30 20 JKED C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(OC(F)F)cc1 497514068 CPRZQINRUXCXIS-NSHDSACASA-N 493.354 6.002 30 20 JKED N#C[C@H](C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1ccc(C(F)(F)F)cn1 499187884 FCIANYBUJAKBTN-AWEZNQCLSA-N 498.814 5.937 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)n2)ccc1F 500739686 QQFHVILJJNOIKC-UHFFFAOYSA-N 456.477 5.728 30 20 JKED O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 502279662 VVPPNUZNBLTWGC-UHFFFAOYSA-N 497.374 5.165 30 20 JKED Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 502390437 HFTNJYFLYVWABW-FQEVSTJZSA-N 481.556 5.414 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 508256139 BMHFBBAYKHBDNV-UHFFFAOYSA-N 474.536 5.284 30 20 JKED Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)nc1 510041443 DFQPUAYRCWILAA-HSZRJFAPSA-N 487.991 5.582 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 511036379 FTDAEBIILVLULZ-UHFFFAOYSA-N 467.013 6.060 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)n1 511645444 FVPWXGIIFOLNQM-QGZVFWFLSA-N 452.363 5.192 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCCCC4)s2)cc1OC 512004096 CGZMQUMQYVLEDV-UHFFFAOYSA-N 453.589 5.590 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)CC1 512118589 NBEVWLUZXJGURS-UHFFFAOYSA-N 478.512 5.205 30 20 JKED C=CCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2ccccc2I)c1 514569189 RSQAJQFZZGPTQI-UHFFFAOYSA-N 496.348 5.372 30 20 JKED Cc1ccc(OCCCCNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 515898157 KPLYGMASXAFTCJ-DEOSSOPVSA-N 475.976 5.218 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)c2)c1 516469402 SVKMNHVQDWJBMN-UHFFFAOYSA-N 486.959 5.591 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccc(C)cc4C)o3)n2)cc1 516714272 YYMBVWOBPMXRMU-NRFANRHFSA-N 458.539 6.098 30 20 JKED C[C@@H](Nc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1Cl)c1ccccc1 518227187 ZIUNQKHFJCSELY-HXUWFJFHSA-N 474.992 6.179 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCc3cccc(C(F)(F)F)c3)cc2)cc1 519079971 WJRQWOCSRVSGKK-UHFFFAOYSA-N 467.447 5.057 30 20 JKED C=C(C)CN(CC)C(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1Cl 519180931 NVJWMIIOTNYAIT-UHFFFAOYSA-N 497.764 5.627 30 20 JKED N#CCc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)cc1 520792963 GXALWKLGWNSATL-UHFFFAOYSA-N 455.774 5.195 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)CC2)c2ccccc12 521293012 DLADADFYQAMAKM-AREMUKBSSA-N 483.612 5.379 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 521714677 LJGMEPQDKCASCW-UHFFFAOYSA-N 450.970 5.494 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 524439434 WUZFSNDRZQDNJV-UHFFFAOYSA-N 459.571 6.104 30 20 JKED Cc1sc2ncn(CCC(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)c(=O)c2c1C 524650527 HJMWDPARKUCCCS-UHFFFAOYSA-N 476.989 5.223 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2cccc3ccccc23)CC1 553337180 AGOODVNKJQQPKP-IBGZPJMESA-N 457.599 5.579 30 20 JKED Cc1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 588349035 PVEQKFKBESLCLF-QGZVFWFLSA-N 453.354 6.101 30 20 JKED CCN(CC)Cc1ccccc1CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604134708 XUDBFZQFIRVHAP-RUZDIDTESA-N 489.019 5.092 30 20 JKED CN(Cc1ccccc1CNC(=O)c1occc1COc1cccc(C#N)c1)C1CCCCC1 608812423 NXKRJORCIYFMQC-UHFFFAOYSA-N 457.574 5.425 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1 608995886 LCHIIDFBHYIWCI-QFIPXVFZSA-N 471.513 5.499 30 20 JKED COCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H](C)c1cccc(C(F)(F)F)c1 609056361 IPIHXIIGMLYXFK-KRWDZBQOSA-N 472.463 5.599 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C 609071625 MHTKVIVNFICVJY-UHFFFAOYSA-N 454.530 5.113 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 609079265 SQYDDKVUEITWPC-SHQCIBLASA-N 455.558 5.735 30 20 JKED Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)c(C)o1 609080244 UVVBCCCMNHSEJG-UHFFFAOYSA-N 486.572 5.082 30 20 JKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2Cl)n1 609166885 HVLDTUZQSISEHO-KRWDZBQOSA-N 474.952 5.084 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCC(=O)N3CCCC3)n2)cc1 612894601 BXQNKXSGQUYEQC-FQEVSTJZSA-N 461.612 5.323 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nnc1-c1ccc(OC)cc1 613932716 KDXNFGUXFGTCAT-FQEVSTJZSA-N 456.637 5.197 30 20 JKED C=CCN(C(=O)CCc1ccc2ccccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614533571 OAZWQCVZNJELCG-UHFFFAOYSA-N 476.623 5.519 30 20 JKED C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 615325348 DBGNHCIKOXPORZ-LBPRGKRZSA-N 452.370 5.562 30 20 JKED O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 622584799 KHVURWBFZBHEJT-GOSISDBHSA-N 468.344 5.091 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 622687419 JPDLMZVOTHVPER-HNNXBMFYSA-N 493.366 5.311 30 20 JKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 643049740 PJIIOGRHZPFWKP-YUMQZZPRSA-N 484.746 5.323 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)c(NC(=O)N(CC=C)Cc2cccs2)c1 655725796 NUCXJWQVDNFMMY-UHFFFAOYSA-N 480.659 6.558 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 726321594 JFWULZMYBZUPGV-GOSISDBHSA-N 487.412 6.067 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1F 726411498 MRGGYQDNTBGXGX-OYHNWAKOSA-N 496.539 5.090 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)cc1F 726414513 BGGSRIGHULFIBI-HXUWFJFHSA-N 487.940 5.241 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3cc(C)on3)C2=O)c1 726420250 HWWHHDSTTVOLDQ-QVWGDZHESA-N 482.631 5.251 30 20 JKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1NC(C)=O 726426954 AMJXRYRECAEZQC-JXMROGBWSA-N 469.950 5.344 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2)cc1 726700206 ZRVAVUYRUINTLE-UHFFFAOYSA-N 478.499 5.742 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(SC(F)F)cc1 727628249 RQUWKQDXOFUSEL-INIZCTEOSA-N 458.408 5.180 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1 728738737 BCCWFQOECNFUHQ-HXUWFJFHSA-N 471.435 5.233 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(CCc3c(C)noc3C)C2=O)cc1 730445379 YGTKGXGUQMKHKZ-XMMPIXPASA-N 490.629 5.420 30 20 JKED C[C@@H](OC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1sc2c(c1C#N)CCC2 730609834 SCVWKFNQCIEWNB-LLVKDONJSA-N 493.532 5.240 30 20 JKED C#CCOc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)cc1 730980863 VRXAGBMXOBFXDN-UHFFFAOYSA-N 470.785 5.141 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(F)c2)c1 731309194 UMICEHSPSWONLU-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)cc1C 731310758 PFVKNOSJYDYMOA-XMMPIXPASA-N 484.581 5.041 30 20 JKED CCc1cccc(C)c1N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1 732798706 FAUMPYUXZUFURC-MRXNPFEDSA-N 469.916 5.478 30 20 JKED N#CCCN(CCC#N)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 742360803 SGLLDJUAHIOFCV-UHFFFAOYSA-N 465.629 5.225 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 743303827 CGWCIABFSLPZKX-XMMPIXPASA-N 496.652 5.144 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(Cc2ccccc2)C1=O 743524272 IWPIUFQWMAUBBG-HSZRJFAPSA-N 477.561 5.303 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccccc1C#N 747259353 RMMCPAHBDGHFIP-GFCCVEGCSA-N 460.342 5.101 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cscn3)C2=O)cc1 747600117 NNAXNTURBALXLG-NRFANRHFSA-N 464.616 5.229 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1 748668969 GAVWTFYAOONIRO-UHFFFAOYSA-N 481.170 5.077 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(SC(F)F)cc1 799209748 CRLADEYXQCOZPC-QGZVFWFLSA-N 499.992 5.644 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C(F)(F)F)c1 799210488 UCWWGTUWPSAZQY-QGZVFWFLSA-N 499.436 5.318 30 20 JKED Cc1ccc(OCc2nc(COC(=O)CSc3nc(C)c(C)c(C)c3C#N)cs2)cc1 811583825 BGABKSCDZXLWFJ-UHFFFAOYSA-N 453.589 5.058 30 20 JKED Cc1oc(NC(=O)COC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)c(C#N)c1C 821708537 SOJIUPWLFQHRHL-JAIQZWGSSA-N 452.869 5.283 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1C 837299764 MJNPGIJOSOYWRO-WZONZLPQSA-N 476.577 5.559 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccs2)C1=O)Nc1ccccc1F 837889744 XKSMZYZOPQJRCT-LJQANCHMSA-N 473.982 5.701 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cccs3)C2=O)cc1 838548684 CIRHJZRGARSFJM-OAQYLSRUSA-N 499.564 5.389 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(CCc2cccs2)C(=S)N[C@H]1c1cccc(C#N)c1 840325308 CRWGRFYTWYAWTD-DEOSSOPVSA-N 488.638 5.015 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2ccc(C)cc2)C=C1 912791121 CZVDWHFSNKGARM-UHFFFAOYSA-O 472.512 5.395 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)n2)cc1 915085345 LADVDYKTPLMGLL-DEOSSOPVSA-N 452.514 5.362 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCN(C(=O)c2ccccc2F)CC1 915608973 QSVQURGJWWTJKC-WAYWQWQTSA-N 488.403 5.298 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1OC 916135404 YKZGRPIDYJMLPM-WZUFQYTHSA-N 476.916 5.142 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O 916209274 IIZRWJYKECIHLT-OAQYLSRUSA-N 498.967 5.043 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC2)C1=O)Nc1ccc(F)cc1F 916214125 JIBSTNARNOJOCQ-KRWDZBQOSA-N 483.512 5.402 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(SC(F)F)cc1 916215615 VQQYTWRCLXZIHD-SFHVURJKSA-N 497.564 5.137 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3ccccn3)C2=O)c1 916217530 OXQQSQIEYHFOJX-SANMLTNESA-N 494.620 6.012 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)ccc1OCCOc1ccccc1Cl 916310906 POFKDEXZOXPGGB-UHFFFAOYSA-N 483.977 5.077 30 20 JKED N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916848037 ZAQKDNSDUFMMQD-GOSISDBHSA-N 489.984 5.851 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2sc3ccccc3c2s1 916901908 SEOGXZAKJDXXOR-ZDUSSCGKSA-N 454.960 6.048 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1OC 916947331 HLXOWHFLCWHROP-RDTXWAMCSA-N 473.367 5.331 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 916953616 VLXYDUPXDZAYBY-ISKFKSNPSA-N 464.974 5.519 30 20 JKED Cc1ccc(SCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)c2)c(C)c1 916967909 ZSIJOBUQKPYGRM-QFIPXVFZSA-N 472.566 5.328 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(Br)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1 917043793 OPGZCPAWTOXAOM-RFMMKKFCSA-N 469.257 6.106 30 20 JKED COCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)sc2cccc(F)c12 917045228 YMQUWAICKWAMRG-NSHDSACASA-N 464.465 6.305 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc2cc(Cl)ccc2s1 917046536 KTFDRHQCZKKODJ-FPOVZHCZSA-N 458.926 5.894 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 917505824 QEGKREALSYBHJU-KRWDZBQOSA-N 487.537 5.397 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 917542921 YUCSJRHFLXABGG-UHFFFAOYSA-N 457.390 5.562 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 917680621 JJWXLIGUEYEZIW-HXOBKFHXSA-N 491.592 5.008 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3ccccc3c2)n1 917699827 FHQKLSLPJQIMJL-VWLOTQADSA-N 480.593 5.704 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 918312618 RPIXGNFJMZDHRD-FTJBHMTQSA-N 453.542 5.043 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)c1 919639131 PVDCQGPYELLVAV-UHFFFAOYSA-N 487.531 5.107 30 20 JKED N#CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 919986002 ZBLGEJBULLYYJX-UHFFFAOYSA-N 456.380 5.512 30 20 JKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1cccc(/C=C3/CCc4oc(C(=O)O)c(C)c4C3=O)c1)CC2 920065921 NCFLDPHLEVZLDI-WHYMJUELSA-N 486.476 5.311 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(NC(=O)c4ccccc4F)n3)n2)cc1 920141660 GNSOOPITIHOXGD-GOSISDBHSA-N 492.557 5.086 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2c(C)noc2C)cc1 920355058 HOYJAFQJESTIOH-HSZRJFAPSA-N 492.601 5.023 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)cc1 920870941 VOZQAVNKAIVCML-UUOWRZLLSA-N 491.613 5.091 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(-n3ccnc3)cc2)C1=O)Nc1ccccc1 921138789 CQGSOWQBYGTYLR-DEOSSOPVSA-N 499.571 5.172 30 20 JKED Cc1cc([C@H](NC(=O)CCc2c(C)nc(O)c(C#N)c2C)c2ccccc2Cl)ccc1F 1360995828 QPYPQLFGLTTXIE-DEOSSOPVSA-N 451.929 5.215 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(Cl)cccn34)CCC2)cc1 1786103909 QKYVYNGVGSLUIK-UHFFFAOYSA-N 462.981 5.504 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1786289136 FYCOIPGHTFTCAH-HXUWFJFHSA-N 485.609 5.252 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)c(C)cc3OC)CCC2)cc1 1786367282 IIFQXDALRNMZFY-UHFFFAOYSA-N 450.579 5.043 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cs3)CCC2)cc1 1786678052 AWEXRPSBQHZRBF-UHFFFAOYSA-N 465.438 5.178 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cncn3-c3ccc(Cl)cc3F)cc2)CCC1 1788690171 HMNDIWXGKLSZJJ-UHFFFAOYSA-N 478.955 5.216 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccn4)[nH]n3)cc2)CCC1 1789811228 AKORZIFKRRWNFA-UHFFFAOYSA-N 457.578 5.212 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc(Cl)n1 1789903293 VQWRDKBRWVNQNG-KRWDZBQOSA-N 488.975 5.432 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CC[C@H]4CNc5ccccc5C4)CCC3)cc2)cc1 1790288601 SHRSPNAJFOXNEF-JOCHJYFZSA-N 478.596 5.371 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1 1790645740 DKDBDBBLSRDTSN-OAHLLOKOSA-N 464.459 5.183 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Br)cc4c3)cc2)CCC1 1790868151 YXNPWHLRQSPCLB-AWEZNQCLSA-N 484.419 5.063 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)CCC2)cc1 1791247623 BCZRWOVMORHWBP-GOSISDBHSA-N 458.562 5.045 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccco3)CCC2)cc1 1791252544 VEQMFFWADBDPDJ-KNQAVFIVSA-N 495.620 5.582 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H]3C)CCC2)cc1 1791517600 NLKGLDHXFXCJRQ-BVYCBKJFSA-N 469.626 5.026 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CCC2)cc1 1791578073 VTYZEPVZRMMTSH-QGZVFWFLSA-N 470.598 5.296 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)cc2)CCC1 1792207360 KAHKNALSMCBQPB-DEOSSOPVSA-N 491.632 5.223 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]3C)CCC2)cc1 1792337553 ZRZZOQSWWMNSDR-BYNRPDJYSA-N 481.637 5.026 30 20 JKED Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc(C#N)c2)c2ccccc12 1792942095 JVTXOLZAKUEFNV-LGKQTMLJSA-N 479.624 5.224 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc2ccccc2c1 1796514457 KGLNNZQFYVYIIQ-IODBPXAYSA-N 453.586 5.366 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)C3)c(Cl)c1 1800691736 YEZMLWCIIUPKJM-MUJYYYPQSA-N 496.316 5.449 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)[C@@H]1c1cccnc1 1802499243 REYPSFSYUFKPPM-YLJYHZDGSA-N 475.420 5.095 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)C4CCC(C(F)(F)F)CC4)CC3)C2)cc1 1804755440 WUQVJICJSHWTGK-UHFFFAOYSA-N 489.582 5.091 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)C1 1806067079 GFTYLWMODCAFIM-XMMPIXPASA-N 486.628 5.431 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)C3)[C@H]1c1cccnc1 1808152861 GHCXTXIGIQDLIT-ISKFKSNPSA-N 475.633 5.107 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1809346716 UBPZZYUIRRVTHV-IGKIAQTJSA-N 487.676 5.199 30 20 JKED CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1ccccc1 1810275333 VBEFVYNMMPJOHU-NSVAZKTRSA-N 489.736 5.332 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)CC1 1811364665 FGTNGMYGPFGTCT-VPUSJEBWSA-N 472.633 5.074 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1812670422 KYHMXRSZVOLGQP-UTKZUKDTSA-N 473.907 5.012 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1813229398 MPWSSFFZQLECAP-SBUREZEXSA-N 476.379 5.041 30 20 JKED CC(C)C1(C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CCC1 1813665066 DPBXOKURLDBVQX-NFBKMPQASA-N 498.549 5.118 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@@H]1c1cccnc1 1813989917 AKLKPWQCGUUSIO-PTJQVGQKSA-N 485.603 5.343 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4c(Cl)cncc4s3)n[nH]2)cc1 1817679203 NOTLRLRDLKCAMH-LJQANCHMSA-N 490.976 5.164 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1 1818441451 RAEBNQGLEVGGON-MZNJEOGPSA-N 485.613 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3cc(Cl)ccc23)n[nH]1 1819163708 QHGHANVIZCZQID-OXJNMPFZSA-N 466.973 5.014 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)[nH]n2)c1Cl 1820219802 YMDZHIWAXLVSBR-FQEVSTJZSA-N 482.371 5.137 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1Cl 1820548649 KCHQHKZBQUGRMH-QFIPXVFZSA-N 491.979 5.342 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1821275765 PGULODAKUTVZCC-KRWDZBQOSA-N 479.562 5.316 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)c1 1822023105 YQPKTMPHDQFQKX-BZWIZDRHSA-N 459.594 5.169 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]n1 1822380811 FDQCQJYONINARD-OSPHWJPCSA-N 485.613 5.249 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)[nH]n1 1822583845 SKLZGHCFZYEHJM-NKSQBSFPSA-N 483.410 5.071 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1cc(F)ccc1C(F)(F)F 1823299211 FDDSQLNYWZPATN-MRXNPFEDSA-N 494.411 5.606 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823676282 MJPIWYLEVSENKK-RCZVLFRGSA-N 468.041 5.823 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)C1 1823696849 AYBDAWYGJOMQPZ-YVSHKSEASA-N 460.540 5.305 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccc(C)cc2)CC1 1823947527 LMYZQFHNASMYEZ-VWLOTQADSA-N 454.655 5.376 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824828050 WABOHLUXULVDKI-LZBANZJXSA-N 454.577 5.168 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1824961605 SBVLMVZUIBIPLF-QHCPKHFHSA-N 494.742 5.208 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827735001 KZIAREOKHQLTMV-HSZRJFAPSA-N 467.009 5.637 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828508297 UHIMPPUAGOXLBS-KSFYIVLOSA-N 489.479 5.154 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)cc1 1828546817 LTDYMEZIJVVSPT-JOCHJYFZSA-N 491.682 5.701 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(Br)cccc4c3)CC2)C1 1828656541 IAHMASYZMBCEPL-RUZDIDTESA-N 495.461 5.802 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1)c1ccccc1 1829033150 RHTFNRBYNLBNIU-BDYUSTAISA-N 497.639 5.567 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1Cl 1829692893 OOGKWAKFMFIDTP-JOCHJYFZSA-N 488.390 5.551 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)c1 1829954947 HLOSIMRXTZDANO-DEOSSOPVSA-N 483.534 5.053 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 1829976151 XOSWOEUAHURGGP-QHCPKHFHSA-N 488.390 5.551 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)cc1 1830632184 BYKAVLGEEQQXTA-VWLOTQADSA-N 455.558 5.046 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1830775412 XPEKXQOAGRFRHR-RUZDIDTESA-N 479.571 5.011 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1831562362 OZMPSMYJVIOVMS-QIGHUWCUSA-N 479.665 5.163 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)CC2)c1 1832632205 MOTATKWCMDBPGN-CGXVKTPZSA-N 499.680 5.435 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832710351 CXHKKLGWJCGETG-GOSISDBHSA-N 482.440 5.420 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CCC1 1832720551 XMUGOKSBWKWSFU-HXUWFJFHSA-N 481.946 5.286 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1ccc(Cl)cc1 1832788378 PYGQTVLDPXLGBY-BJKOFHAPSA-N 470.057 5.393 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1832800582 USXUPYSGWGFLRW-XWGVYQGASA-N 489.582 5.469 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1832822611 KJAHXLIYKPZIID-HSZRJFAPSA-N 462.556 5.061 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1832827359 BQQALPYNDIYXPA-GDLZYMKVSA-N 479.624 5.549 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)CC2)cc1C#N 1832984848 BLSIPSAUVSMPAB-FIPFOOKPSA-N 499.602 5.324 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)CC1 1838781368 IKKFZUKXEGHUIX-UHFFFAOYSA-N 499.095 5.344 30 20 JKED COc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)c3ccccc3n2)cc(OC)c1OC 9597205 NAZKBGCARFKMQU-HXUWFJFHSA-N 492.535 5.304 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1cc(C)cc(C)c1 10172516 DMUZHEYQQNZYFS-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173776 JXAKQQQRMKRASV-UHFFFAOYSA-O 485.604 6.154 30 20 JKED C=CCn1c(S[C@@H](CCCC)C(=O)Nc2cc(C)on2)nnc1-c1ccc(Br)cc1 10928975 ISHVYBDZURPLRM-KRWDZBQOSA-N 490.427 5.480 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(C)(C)C)cc1 11257700 YJCRDUNKSFDDNH-UHFFFAOYSA-O 473.996 6.563 30 20 JKED C[C@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C(=O)Nc1ccccc1C#N 12744153 LANRUTRPMJZTBZ-SFHVURJKSA-N 473.627 5.164 30 20 JKED C=CCn1c(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)nnc1-c1cccc(C)c1 22160374 JXQIDYQRILUSFU-OAHLLOKOSA-N 491.667 6.319 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c1 22729724 BQQDMPBWXVBOPO-UHFFFAOYSA-O 453.578 6.218 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccccc1Cl 22730441 IBMTZZDFIXCEPV-UHFFFAOYSA-O 454.959 5.457 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)c1 23499861 XFRZDKXPMTXGFT-KRWDZBQOSA-N 454.646 5.708 30 20 JKED CSc1nc(O)c(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1C#N 31898814 KGADLVHGUMDIAS-GOSISDBHSA-N 462.962 5.077 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)CC1 32946534 QJONKGFVSNOLEZ-AREMUKBSSA-N 492.535 5.675 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 36885263 NXALRNPCSONXHP-UHFFFAOYSA-N 453.593 5.390 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)ccc1S(C)(=O)=O 195741306 AVKDJKABYPHBCR-CSKARUKUSA-N 461.333 5.017 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 195746546 DDPVHRQQNYEHMQ-UHFFFAOYSA-N 450.995 5.697 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Br)c3c(c2)OCCO3)cc1 303024215 NSKGQEIGLJTQQT-UHFFFAOYSA-N 479.330 5.118 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CN(C)C(=O)c1ccc(Br)s1 303040034 VXLSOLLFBJJUJR-UHFFFAOYSA-N 484.375 5.194 30 20 JKED C=CCN(C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 410138210 DOFJVZOWCBJYKI-IBGZPJMESA-N 498.670 5.632 30 20 JKED Cc1ccccc1CN1CCC(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 410331240 VTUHXUFYZDBQSA-UHFFFAOYSA-N 468.601 5.426 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2csc3ccccc23)c1 483462462 GLZZBUXOJIDEIH-UHFFFAOYSA-N 457.580 5.434 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 502572611 CCYAHQBEHBBFPU-UHFFFAOYSA-N 451.448 5.078 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1OC 503377568 XSYFLLDAEKDVBA-SFHVURJKSA-N 459.493 5.196 30 20 JKED CCOC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccc(F)cc1 508272404 HICHMFFOWUZORK-QFIPXVFZSA-N 477.492 5.314 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 508276584 UYDRGBLGEGBREH-UHFFFAOYSA-N 489.959 6.139 30 20 JKED C[C@H]1CN(C(C)(C)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H](C)O1 510024004 QQOLNPBAPLSMGH-KGVIQGDOSA-N 455.002 5.005 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 511098886 OWCODVGOXGESII-PXJZQJOASA-N 468.597 5.390 30 20 JKED COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 511135003 MJHMFPDQHOHOCT-UHFFFAOYSA-N 495.626 5.112 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c([N+](=O)[O-])cc1OC(F)F 513307502 VLTPJJOCYJSUSK-SNVBAGLBSA-N 481.383 5.097 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 513666382 MAZXGUXWYHADIW-HNNXBMFYSA-N 455.564 5.946 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 513686693 DNRYTOWPXRZBJM-SFHVURJKSA-N 493.382 6.136 30 20 JKED CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 513983892 VWNHFMRHFQALSV-WZONZLPQSA-N 467.013 5.400 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCCC2)C(C)C)nc2scc(-c3ccccc3)c2c1=O 514773098 CTBVQARHTHDPNI-FQEVSTJZSA-N 453.633 5.050 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 514954535 BAOHMOZXANFROQ-INIZCTEOSA-N 469.973 5.351 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccco1 515341068 UXOIUIMCSVWAQR-LXZJYRNTSA-N 461.591 5.528 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)o2)cc1 515707322 PKHOBFPHMILDIA-UHFFFAOYSA-N 492.944 5.793 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 516321043 IHQFNSYHAZNSFY-UHFFFAOYSA-N 485.540 5.258 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1Cl 516446559 ZSKHXRVYINMHPK-XMMPIXPASA-N 473.960 5.046 30 20 JKED CCCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 516744043 XARGTAMWXLPETE-IBGZPJMESA-N 487.556 5.272 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)n2)cc1 518516742 VWZLILADMYPOJM-IBGZPJMESA-N 478.562 5.481 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12 520140110 YRFDIDIHYDILJV-UHFFFAOYSA-N 479.580 5.871 30 20 JKED Cc1sc2ncn(CC(=O)Nc3ccccc3SC[C@H](C)C#N)c(=O)c2c1-c1ccccc1 520813582 MHOMDMFKPXPQAX-MRXNPFEDSA-N 474.611 5.324 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2cccc3ccccc23)cs1)c1ccccc1 520911855 KUSAWSDBGRRSJH-UHFFFAOYSA-N 454.555 5.629 30 20 JKED COc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1OCc1cn2ccccc2n1 522595676 CABLDBVZOKWENW-UHFFFAOYSA-N 494.507 5.218 30 20 JKED CCOc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccc1OCc1cccnc1 524441359 DGHJGAMUGZWRMN-UHFFFAOYSA-N 479.536 5.762 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 524565668 CNNCAFSJJIAYFE-QGZVFWFLSA-N 477.552 5.827 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2oc3ccccc3c2COc2ccccc2Cl)nc2ccccc21 588348589 SBSCOABYDXSJEF-KRWDZBQOSA-N 455.901 6.042 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 588709911 COQNLBPLHSZEEK-NRFANRHFSA-N 481.540 5.271 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3cccc(Br)c3)o2)cc1Cl 589944717 FKSTYRVRFQOOLR-UHFFFAOYSA-N 463.744 5.145 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1-c1ccncc1 591885486 VYGNPDTUILKVEW-JOCHJYFZSA-N 486.557 5.215 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3cccc(OCCCC#N)c3)cc(-c3ccc4c(c3)OCCO4)nc21 603972098 UCFHSALDJOIISG-UHFFFAOYSA-N 497.555 5.385 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCOc2ccccc2Br)cc1 604003855 ZZBXKXMZCIXLHQ-UHFFFAOYSA-N 465.347 5.502 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccsc4)CC3)cc2Cl)cc1 604089569 FJGBRQISYWGWLN-UHFFFAOYSA-N 466.950 5.055 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2csc3ccccc23)cc1Cl 604141179 UWNSHDGPZUQWGM-OAQYLSRUSA-N 459.958 5.465 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(OC(F)F)c1 604142505 PBUINSPRWWRDAF-AWEZNQCLSA-N 485.874 5.421 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ncccc1OCCCC#N 608882866 HAGYYZBZMFUOEP-UHFFFAOYSA-N 472.929 5.431 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc(Br)cc1F 609061980 OQMOVBNWBMXTQG-UHFFFAOYSA-N 469.310 5.365 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(Br)cc1 609068490 KTBVKWUHKBBTSO-UHFFFAOYSA-N 457.349 5.009 30 20 JKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)n1Cc1ccccn1 609072683 BXBOYQNNAXROMU-UHFFFAOYSA-N 470.960 5.905 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Oc4cccc(Br)c4)nc3)CC2)c1 609208297 QFRBDDFBJVVOCU-UHFFFAOYSA-N 493.361 5.583 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2nc3cc(Cl)ccc3s2)cc1 609326658 DVAJLVGBDDSRSO-UHFFFAOYSA-N 463.965 6.122 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609378358 GLPPGVLVTNMDHF-UHFFFAOYSA-N 463.525 5.836 30 20 JKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 609398615 CZAXFUFAEUNYHM-HXUWFJFHSA-N 475.614 6.190 30 20 JKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609403513 BWULMGVVDBXBNF-LBPRGKRZSA-N 471.451 5.147 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1ccc2ccccc2n1 613292797 XGHSHLUAXGBDTJ-JOCHJYFZSA-N 484.353 5.669 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)o1 613404541 OJXAROOBFXJWOK-OAHLLOKOSA-N 472.444 5.986 30 20 JKED O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618558717 HFVMYYYYIIWIKJ-IYOUNJFTSA-N 482.827 6.341 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3Cl)n2C)ccc1Cl 619733366 JHJYTOPBRSNKST-UHFFFAOYSA-N 460.390 5.136 30 20 JKED N#C[C@H](C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282017 CKSGHLBJAQJHQO-MRXNPFEDSA-N 487.890 5.669 30 20 JKED C[C@H](c1ccccc1)n1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2ccccc2c1=O 656399582 AVGYFTDCUGTDSI-HXUWFJFHSA-N 492.604 5.849 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)S/C2=N/CCc2ccccn2)c1 726107386 BWWYNWYOTXWJLR-YWFCIECYSA-N 486.641 5.078 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1CC[C@@H](C)OC 726393454 OYKGUAMPGHSWMA-IIBYNOLFSA-N 490.025 5.042 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726405053 BNILLOODFDVSCJ-JTSKRJEESA-N 499.036 5.214 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CC1)c1cccs1 726421778 PNCWQTNRPUXVNR-PGJBSSEZSA-N 478.437 5.063 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Br)cc2)[n+]2cccc(C)c2)c1 726572650 HHNMDBPTOAJJMK-UHFFFAOYSA-O 450.381 5.350 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)C(C)(C)CO)c2C#N)C(C)(C)C1 726669588 JAMPQAZJQKXZQV-SREVYHEPSA-N 484.643 5.268 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 726755859 KEQHIMUOMHZXNF-UHFFFAOYSA-N 461.500 5.427 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 727150016 VLWAFCRMBIZYSX-XMMPIXPASA-N 457.530 5.864 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C\c2ccc(Br)cc2)cc1 727354255 FJZVGGZMRCRSJE-MTVZPNFRSA-N 453.361 5.517 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3cscn3)C2=O)cc1 728421433 VCWCTHJGNYQXEV-HSZRJFAPSA-N 497.605 5.328 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c1 729143418 QZZBJBMNIWHSLM-HXUWFJFHSA-N 464.616 5.229 30 20 JKED COc1cccc(C(=O)/C(=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c2ncc[nH]2)c1 729240660 VEROUWNDNVYNML-PXLXIMEGSA-N 457.917 5.748 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)ccc1Cl 729779247 GSXJKRJARUOJGY-UHFFFAOYSA-N 489.959 5.029 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CCc1c(C)noc1C 730443454 DVABONIDSXIHJQ-XMMPIXPASA-N 490.629 5.365 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCc3c(C)noc3C)C2=O)cc1 730445009 SCMPIOSXOHICPM-QFIPXVFZSA-N 497.020 5.456 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccsc2NC(=O)c2ccccc2Cl)c1C 730606846 ZJQFLKZQCKFRHV-UHFFFAOYSA-N 495.988 5.374 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)nc2ccccc21 730685371 HQNZNONKJWIRCW-HXOBKFHXSA-N 478.321 5.471 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943592 GZFZGUYUVCFIOY-JTSKRJEESA-N 479.005 5.765 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 731078644 PGFJRNXZVKBWCJ-CQSZACIVSA-N 489.384 5.369 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)cc1 731305199 JFFCHIUHSVGYCS-GAJHUEQPSA-N 474.586 5.071 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1cccc(O)c1 731305850 HBOMRSXXAYVFJF-QHCPKHFHSA-N 488.544 5.173 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(F)cc2C)ccc1OCC(=O)Nc1ccccc1Cl 731322285 VJJMYSKEGLFDAM-YRNVUSSQSA-N 453.897 5.710 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1C 746695959 JMONOSGOUYOZCP-QFIPXVFZSA-N 471.598 5.220 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)c1 746696314 MITQXNQFJYDKMY-JOCHJYFZSA-N 467.635 5.387 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCOC(C)(C)C)C2=O)c1 746697978 QZLMYWRJNRQAEB-NRFANRHFSA-N 471.598 5.218 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC(c3cccc4ccccc34)CC2)cc1 746764392 ULJUPUDRLDYNNA-PBBVDAKRSA-N 490.629 5.064 30 20 JKED N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 747021964 SNZYRRWCZSQYRE-KRWDZBQOSA-N 456.354 5.642 30 20 JKED COc1cc(C=NNc2cc([N+](=O)[O-])ccc2C)ccc1OCC(=O)Nc1ccccc1Cl 747061886 OTONVYUFHQNNPW-UHFFFAOYSA-N 468.897 5.029 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1C 837412878 DYPUNQZEBPLZTH-HXOBKFHXSA-N 494.567 5.698 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccs2)C1=O 837880943 JDTYXJLIRHATJZ-HXUWFJFHSA-N 486.018 5.571 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccs1 838519435 LRJFLRNLVNOGLC-HXUWFJFHSA-N 487.553 5.195 30 20 JKED O=[N+]([O-])c1cccc(-c2ccc(C=Nn3c(S)nnc3-c3ccc(OC(F)F)cc3)s2)c1 912797839 KANIKNOFFHPKDN-UHFFFAOYSA-N 473.486 5.354 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2sccc2C)c1 914542356 DMQOAVDYCQBWIR-OAQYLSRUSA-N 495.626 5.234 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccc(F)cc2)C1=O 916205583 QHOPBTHRFQDSLP-QHCPKHFHSA-N 477.561 5.037 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(Cl)cc1 916210310 ALUVNNMZPCADHZ-FQEVSTJZSA-N 475.998 5.118 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916720275 LZCZKRMJRXILKD-XQJGLGPESA-N 482.606 5.251 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916885341 UILOGSKLDPFNNF-GOSISDBHSA-N 469.353 5.663 30 20 JKED Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C 916927718 BXPWQIGNZVXGAN-INIZCTEOSA-N 473.385 5.236 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)cc1 916942525 LTNYKUANNHADKI-BUVUWQSRSA-N 462.502 5.092 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996393 LZIUKDZZWICPSX-JLIVMUMWSA-N 468.159 6.362 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917562055 DARUVNUSPAKLDF-WJDWOHSUSA-N 497.642 5.063 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cnc(C)s2)c1 919879521 JSTHPDUNKJIZLL-UHFFFAOYSA-N 496.441 5.070 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 920140755 GMLHZYNGPPJUOB-OAQYLSRUSA-N 470.579 5.623 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O 920169595 GWMSPFWMBTZRPY-HXUWFJFHSA-N 497.960 5.100 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O 920174178 RXKFJDDKGQCJSJ-FQEVSTJZSA-N 497.573 5.054 30 20 JKED Cc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cc(O)ccc2C)cc1C 920484264 ROVZORZWUCKQNC-UHFFFAOYSA-O 490.649 5.725 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)OCc2csc(CC(=O)Nc3ccccc3)n2)c1 920635048 CKFVHACXLVQRKM-UHFFFAOYSA-N 483.549 5.132 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)CCC2)cc1 1785840742 AULFNPQWLBWYCP-FQEVSTJZSA-N 493.673 5.223 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3(CNC(=O)OC(C)(C)C)CC3)cc2)CCC1 1785873989 FMMLYKJNNPJIFB-QFIPXVFZSA-N 481.637 5.194 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1F 1785953420 GXACEPLHBUZUGB-GOSISDBHSA-N 471.532 5.523 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)cc2)CCC1 1786580758 TYJZWJJBMOBXMU-QHCPKHFHSA-N 492.616 5.157 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(OC)cc3)cc2)CCC1 1788377963 JURBIGLLYSZFRW-UHFFFAOYSA-N 499.611 5.488 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CN(C(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1789448592 CWKPPAAWBOPDRD-QHCPKHFHSA-N 481.637 5.288 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccccc3C(F)(F)F)CCC2)cc1 1789576050 ODGDUUGEGSKEKJ-WKULSOCRSA-N 469.463 5.165 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)cn4)cc3)CCC2)c(C(F)(F)F)n1 1789732871 LAJIOAMOGRZISY-UHFFFAOYSA-N 499.880 5.082 30 20 JKED CCc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1790201327 MQONPKDYRPSWDT-UHFFFAOYSA-N 488.613 5.426 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4c[nH]c(C(C)(C)C)c4)CCC3)cc2)c(C#N)c1 1790472748 ZOQJFYVSRTVQRX-UHFFFAOYSA-N 484.600 5.183 30 20 JKED Cn1c(CC(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)cc2ccccc21 1790521451 KBBDSBSKHHZYKY-UHFFFAOYSA-N 494.570 5.108 30 20 JKED C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1)Oc1ccccc1 1790708267 DZRSIOGEDGIEGP-OAQYLSRUSA-N 467.569 5.358 30 20 JKED COc1ccc(Cl)cc1CC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1791185374 WYMQYODJSIWMKR-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1791479800 JTLZNUNPWQTNDV-QGZVFWFLSA-N 468.395 5.066 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccc(Br)cc34)CCC2)cc1 1791589324 XGLDDXMWWLPPKO-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Cc4ccco4)CCC3)cc2)c1 1792126581 GDYHQJUSBDHKBX-WOJBJXKFSA-N 455.558 5.533 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc2ccccc2c1 1796515662 NBDARHKJINGJBI-XUJYPJAKSA-N 479.624 5.922 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)cc(Br)c1)C2 1798339260 OTXUJHYLZIJYBD-IYWMVGAKSA-N 465.819 5.123 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2cccc(C(F)(F)F)c2)C3)c1Cl 1799299378 NTWMJSRLXBOFIS-AXBYMPLYSA-N 487.909 5.196 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)c1ccccc1n2CC 1799315858 PAZVVYGXAPZIMQ-UEQSERJNSA-N 469.629 5.835 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)ccc1F)c1ccc(Cl)cc1 1800682689 WCMFXHLVHWNXCZ-XARGGIHNSA-N 467.972 5.042 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cc(Cl)ccc2Cl)c1 1801470961 RBGNMKPJDIASFF-YWQVJIEVSA-N 484.427 5.505 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)nc2)[C@H]1c1cccnc1 1802332988 COQZVDCNUSVSJC-XUZZJYLKSA-N 462.638 5.086 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)COc2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1802492830 QQLZYDFVLBHGSH-RSXGOPAZSA-N 477.649 5.084 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1802502384 IHEHIYQEXZRVHD-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1803086751 LVUWAQVKNMBVCH-SVEHJYQDSA-N 495.623 5.962 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cccc(Cl)c4OCc4ccccc4)CC3)C2)C1 1804782424 QWVLVBHIAKARPZ-UHFFFAOYSA-N 493.047 5.730 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1)c1cccs1 1805391452 BLQXKHQSIJCIIY-XTEPFMGCSA-N 491.616 5.176 30 20 JKED C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1811402642 HSWKLORYKYAJLS-SQJMNOBHSA-N 483.534 5.101 30 20 JKED CC1=CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CC1 1811872810 HFHMYEPXEFDJEF-LEEZEASISA-N 496.533 5.038 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@H]1c1cccnc1 1812054283 IHEHEEQVCWFAOY-HLULCQHTSA-N 489.566 5.559 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1812229951 BOUMMQLMUWIOQY-ZEQKJWHPSA-N 487.676 5.199 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1812671471 CEFXYFOMLDJEAS-SXOMAYOGSA-N 499.561 5.012 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCSCc2ccc(C)cc2)[C@@H]1c1cccnc1 1812951544 FTJRCEAQTCSEDD-XCZPVHLTSA-N 491.701 5.488 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)[C@H]1c1cccnc1 1813058784 SIAJBXSPHQOZRK-NGQVCNFZSA-N 491.591 5.923 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1813229101 WCDAQQXBXMBDFW-VAVYLYDRSA-N 483.587 5.401 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc4ccoc4c3)[C@H]2c2cccnc2)c1 1813868204 LLRDTXJLDLYWMF-JRLVAEJTSA-N 478.552 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC)cc2Cl)[C@@H]1c1cccnc1 1813903770 WGHAGJLAPDIKGG-XXBNENTESA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC(=O)Nc2ccccc2)n[nH]1 1814839653 VDDFSRBTMGHKOC-JOCHJYFZSA-N 479.625 5.203 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815208670 IIUWAKNWGDPZRZ-OAOOKAIFSA-N 473.017 5.086 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1)c1ccc(O)cc1 1815558111 LZPKEHKHNANZMW-RCSBWOJUSA-N 488.563 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC(F)(F)F)n[nH]2)c1 1815573532 WOIINHMCEPQNJQ-BEFAXECRSA-N 461.488 5.075 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)cc1C#N 1817497492 APQHLYOWLDGBBF-CRWWQRIJSA-N 489.601 5.149 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)n3C)n[nH]2)c1 1818383047 MEDMAMKARWYINY-HNAYVOBHSA-N 498.509 5.014 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5cc(F)ccc5s4)sc3C2)cc1 1819099370 RTEQBSQCZQCRON-GOSISDBHSA-N 490.585 5.103 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819190504 QRKGXEUPQKBBJY-FQEVSTJZSA-N 481.698 5.310 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)[nH]n1 1819554493 CKMLYQIVWOLCPF-QGZVFWFLSA-N 472.973 5.090 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[nH]n2)c1 1820310536 VFUINJKLWMLOOD-QGZVFWFLSA-N 491.766 5.189 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)c1 1820533515 OHZPIMYNMOXZNO-OAQYLSRUSA-N 481.478 5.228 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)n[nH]2)c1 1821087660 ZNULEGQMJFDZAN-FQEVSTJZSA-N 485.441 5.059 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)[nH]n2)c(Cl)c1 1821278157 NYQOWIJDEZNGIJ-GOSISDBHSA-N 478.965 5.097 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2onc3ccccc23)n[nH]1)c1ccccc1 1821473063 PYYOVPXXXRGWJK-YKSBVNFPSA-N 481.556 5.054 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)[nH]n1 1822580975 FONQDHOLNMEQJY-DKXPKDADSA-N 450.608 5.210 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)c3cccs3)n[nH]2)cc1C#N 1822708442 JXTJODNDFDTJBQ-LAUBAEHRSA-N 491.617 5.240 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1Cl 1823215803 FWRCJOQLBPIFLW-AOMKIAJQSA-N 491.979 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)n3)[nH]n2)c1 1823217019 GAOFOSJIUMLZAL-FOIQADDNSA-N 496.493 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)n3)[nH]n2)c1 1823217021 GAOFOSJIUMLZAL-QRWLVFNGSA-N 496.493 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(F)c(Cl)c2)n[nH]1 1823277226 RBZNOIHPOBIMDF-DNVCBOLYSA-N 462.928 5.416 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)n[nH]1 1823347686 FPQZAXHSYXGDIC-URVUXULASA-N 499.656 5.030 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1823659233 DLULJUWEMYPCGY-JOCHJYFZSA-N 497.064 5.266 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(C)cc3Br)CC2)C1 1823701159 BHTDRHPJZWOJJP-QFIPXVFZSA-N 477.418 5.096 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(Cl)ccc3Br)CC2)C1 1823702893 CQYQEBBBDZRZKM-JOCHJYFZSA-N 493.873 5.231 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1823926895 WCONREHUEWVLCY-XMMPIXPASA-N 467.972 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 1824144006 VXNTTYRKNMLNPR-MHZLTWQESA-N 472.633 5.145 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3ccc(C#N)cc23)CC1)c1ccccc1 1824240724 CKBVXPDJOWSJGQ-KAYWLYCHSA-N 497.643 5.108 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824786930 SEMJIVNNCHKHPI-BJKOFHAPSA-N 489.701 5.070 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1824957475 GXOKKYZYTJNFLA-OAQYLSRUSA-N 474.070 5.282 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)CC2)c1Cl 1828043808 CRYPSBSVVXTALS-DEOSSOPVSA-N 474.992 5.240 30 20 JKED COc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1F 1828908778 VHIOGLBOLKZNGU-QHCPKHFHSA-N 486.704 5.119 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419411 RITIXLGTWOWZTN-HXUWFJFHSA-N 473.589 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=Cc3ccccc3NC(=O)C2)CC1 1829581307 GFBHTTGPWRMRFD-RUZDIDTESA-N 477.649 5.024 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1830011508 RVVJXHALMGAHKE-UQBPGWFLSA-N 464.009 5.249 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)cc12 1830628097 DUYHGJYWMXFUKI-HHHXNRCGSA-N 468.601 5.090 30 20 JKED COc1ccc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830723257 YJCMOVXXLDRUEB-VWLOTQADSA-N 480.008 5.076 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)CC1 1830802418 XROKYUXNALWNOK-IBGZPJMESA-N 485.934 5.022 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830826335 FGTNILVEEIEBIT-VWLOTQADSA-N 484.040 5.104 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 1831211781 LYSVLCAOEJLONX-CYXNTTPDSA-N 486.100 5.331 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1831373626 GPRNCIXSFHHJQJ-KKSFZXQISA-N 454.508 5.290 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1832630050 XVLSBJKOIKVGTA-NEKDWFFYSA-N 471.645 5.407 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832631342 CWMWXJZGTZBCKT-AMGIVPHBSA-N 489.685 5.648 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1836133353 RMBVIZMAVTXPCB-UHFFFAOYSA-N 486.056 5.264 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(CCC)cc3)CC2)CC1 1838373900 SCBXNHFMGWJRAM-SANMLTNESA-N 452.639 5.020 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)C1 1844242889 WPKXVFAIALMJDC-NFBKMPQASA-N 481.637 5.109 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1844356722 HWSDSVLGMISIKK-UHFFFAOYSA-N 455.602 5.416 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 1847266182 HPNUTKILPUGVNB-NSOVKSMOSA-N 499.655 5.484 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2scc(-c3ccccc3)c2c1=O 9041602 DZUKGALADNOKCA-UHFFFAOYSA-N 463.584 5.050 30 20 JKED N#Cc1ccccc1CSCCNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 18704648 UNLRNSLJVMRLSH-DEOSSOPVSA-N 478.017 5.122 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 22730288 SKXHURHENMYIIK-UHFFFAOYSA-O 477.503 5.857 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1cccc(Br)c1 22732542 PXZWTCUMDYFOHD-UHFFFAOYSA-O 454.413 5.658 30 20 JKED CC(C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2cc(Cl)ccc2c1=O 23585774 YKZNRMZZAXIMKO-OAHLLOKOSA-N 472.973 5.197 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@@H]2c2cc(OC)ccc2OC)c1=S 23851959 XPSUJVOIWLXHDK-OAQYLSRUSA-N 484.597 5.130 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)nnc1-c1ccccc1 24446633 OAQXKEHKTXSCLZ-XMMPIXPASA-N 484.581 5.010 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3ccn[nH]3)c2)nnc1-c1ccc(Cl)cc1Cl 24884709 ICLMTBAXXQPNOH-UHFFFAOYSA-N 485.400 5.559 30 20 JKED Cc1ccc(-n2c(SCC(=O)N(CCC#N)c3cc(C)cc(C)c3)nnc2-c2ccncc2)cc1 26966843 QXFXXUVQZHMSMA-UHFFFAOYSA-N 482.613 5.294 30 20 JKED CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1-c1ccccc1C#N 104878677 KCEFIVPAULATEG-UHFFFAOYSA-N 451.448 5.345 30 20 JKED N#CCCn1cc(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)c2ccccc21 109623061 ILDKVURTRAOHQM-UHFFFAOYSA-N 468.504 5.956 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1[C@H](C)c1ccccc1 195659184 OQEGGUVBDUIQGF-IERDGZPVSA-N 470.598 5.381 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 254447099 BLYZSBXFZOBMLI-IEBWSBKVSA-N 491.585 5.141 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1 302947050 MYLLGVRRJVABGH-QHCPKHFHSA-N 490.053 7.305 30 20 JKED CCc1cc(C#N)c(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)s1 490742135 BDSDNGXEWGQKDY-UHFFFAOYSA-N 454.349 5.449 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)CCC#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 501608833 SGKDABTUPXXIDH-FQEVSTJZSA-N 496.640 5.507 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 503580013 VBGQAJPGIUZTGN-LJQANCHMSA-N 476.602 5.028 30 20 JKED COc1cccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)NCCCCC#N)c1OC 505081912 NZIQYTPRUDXWIL-UQNFDQQLSA-N 469.585 5.799 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1 508134293 URYMFKTWQWBUOL-UHFFFAOYSA-N 497.599 5.956 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2c(-c3cccs3)nc3ccccn23)CC1 509812419 SZEADZFUOLGSKB-UHFFFAOYSA-N 484.541 5.038 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1Cl 510005752 PDTQIHAOXRUSCH-VWLOTQADSA-N 487.003 5.556 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OCc1ccncc1 510692710 HHFFBCKBVFZPEH-FQEVSTJZSA-N 494.551 6.216 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 511578450 SGNBHYSMHHOOSM-DEOSSOPVSA-N 461.949 5.706 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccccc2NC(=O)c2ccccc2Br)nc2ccccc21 513676550 GWSBSAQRMXSHGE-KRWDZBQOSA-N 473.330 5.078 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 513994884 QUAFAGZJHFIRJO-UHFFFAOYSA-N 456.521 5.449 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)s2)c(C(F)(F)F)c1 515298541 MRJMBLNDSVXMOM-GJZGRUSLSA-N 461.431 5.932 30 20 JKED C=CCn1c(SCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)nnc1-c1cccnc1 515425901 UNYFRDBSQWFHSF-HSZRJFAPSA-N 494.624 5.048 30 20 JKED CC(C)Oc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C(F)(F)F)c1 517154371 REGDWOMLOIMAHQ-UHFFFAOYSA-N 488.466 5.467 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H](OCCC)CC2)nnc1-c1ccc(Cl)cc1Cl 517456663 OKDXCDBOGMSPDH-KRWDZBQOSA-N 483.465 5.338 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 520141780 YYNACRCHFPBBOK-UHFFFAOYSA-N 461.631 5.270 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CC=C(c3cccc4ccccc34)CC2)CC1 520949857 YPZZNZFWFGHCHW-UHFFFAOYSA-N 478.552 5.492 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 521169151 IXDCIQIVKZSLLU-MRXNPFEDSA-N 472.383 5.021 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 521739430 GRAUUKSCXLSYEF-IFXJQAMLSA-N 462.402 5.547 30 20 JKED CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521742965 VBMGWCIEEYJJCO-NVXWUHKLSA-N 455.546 5.371 30 20 JKED C=CCn1c(SCC(=O)NCc2sc(-c3ccccc3)nc2C)nnc1-c1ccc(Cl)cc1 589425081 QVKWURHHQWAWII-UHFFFAOYSA-N 496.061 5.625 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 603655533 SCPHTUJEQLNHBJ-UHFFFAOYSA-N 461.362 5.104 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1Cl 604084988 RBEZDKONKJPGFC-JOCHJYFZSA-N 479.005 5.437 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 604128022 LILAJRVDXDKWAS-JOCHJYFZSA-N 452.327 5.391 30 20 JKED CCN(C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)[C@H](C)c1ccc(C#N)cc1 604343299 ALXWTNPDXXYSOJ-QGZVFWFLSA-N 499.995 5.053 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(Oc4cccnc4)c(F)c3)cn2)cc1 604428933 TZPDDOBZUIKZOK-UHFFFAOYSA-N 455.449 5.394 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(C(F)(F)F)c1 608845400 VYQLUIHWMUUCFT-JOCHJYFZSA-N 482.462 5.216 30 20 JKED CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccc(C(F)(F)F)c1 608851106 KXVFKSYJGXTVCZ-NRFANRHFSA-N 466.525 5.300 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3sc4cc(C(F)(F)F)ccc4c3Cl)CC2)nc1 608950130 MWWNUIRMDXFEKY-UHFFFAOYSA-N 464.900 5.239 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1SCC(=O)NC(C)C 609061993 PXHHJQGKGHIKPP-UHFFFAOYSA-N 473.598 5.315 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(NC(=O)c2ccccn2)c1 609079273 TWKGMIDEODGCAW-UHFFFAOYSA-N 491.551 5.415 30 20 JKED C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609105399 YGFULDKDTHENAX-AWEZNQCLSA-N 469.856 5.244 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 609382733 RCAZQEWXUHKLGE-QGZVFWFLSA-N 451.621 5.373 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 609406618 YSBKOIITUXDCIH-SFHVURJKSA-N 470.038 5.549 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1 609430227 DANURHBXPIGREO-SFHVURJKSA-N 465.600 5.442 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 613403843 KERLNGOWYUTWFQ-OAQYLSRUSA-N 497.505 5.842 30 20 JKED N#C[C@@H](C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1nc(-c2c(F)cccc2F)cs1 620304278 ULHBTXLUHRFTRQ-INIZCTEOSA-N 481.911 5.442 30 20 JKED COc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 642710745 KNQFYANBDDODIP-IUCAKERBSA-N 452.317 5.745 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c12 726319496 JCZWDRNGVXXDFM-OAQYLSRUSA-N 464.456 5.452 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1ccc(Cl)cc1 726319907 PSAGYVBFWCCZNV-KRWDZBQOSA-N 463.868 5.372 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nnc(-c4cc5ccccc5o4)o3)n2)cc1 726322197 QZKTYLXMKUDZOD-GOSISDBHSA-N 454.511 5.724 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 726393887 RTQLYNRICKWXRA-KOSHJBKYSA-N 486.597 5.097 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2C)c1 726412401 NXEOGKYEEWXMBB-RUZDIDTESA-N 483.593 5.145 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cscn2)c1 726413705 YXGUEUWNHFQQKV-XMMPIXPASA-N 496.617 5.438 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(C)C)cc1 726416380 VDUSFOMFUIJKCD-NRFANRHFSA-N 490.025 5.042 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@@H](C)c2cccs2)cc1 726419035 BQCSESIZEMHSIB-JCPNLMEESA-N 479.627 5.347 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(C3CCN(C(C)C)CC3)C2=O)cc1 726422106 UWOZXRWEIDRDFL-AZXVYZSGSA-N 498.718 5.319 30 20 JKED CCOc1ccc(CN(C(=S)Nc2ccc(C#N)c(Cl)c2)c2ccc(OC)c(Cl)c2)cc1 726445873 ZZDUXKASZRFQGS-UHFFFAOYSA-N 486.424 6.676 30 20 JKED Cc1ccc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2sc3ccccc3c2C)c1 726569767 KVGMLTJIQPGVAM-UHFFFAOYSA-O 460.604 5.312 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)NCc2ccc([S@](=N)(=O)O)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 726571082 CDFGRXMCNOTAHB-UHFFFAOYSA-O 496.678 5.187 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1=S 726591888 HQNWXOPWRLFNJO-NRFANRHFSA-N 490.608 5.217 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC(F)F 726627707 SZNOWPFZBZLVKS-FRKPEAEDSA-N 452.891 5.227 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 726691873 MNOGZAVZHKJIMD-UHFFFAOYSA-N 479.703 5.486 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 726716381 JEKGZCWNFMZBGE-FQEVSTJZSA-N 485.487 5.746 30 20 JKED N#C[C@@H](C(=O)CCCCCc1ccc(I)cc1)c1nc2ccccc2o1 726860218 UBBJGZAOQSKSDP-KRWDZBQOSA-N 458.299 5.412 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(OC)nc1 726888086 LDRSHFDGQDYUGB-KRWDZBQOSA-N 494.589 5.165 30 20 JKED CCC(C)(C)c1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(OCC#N)cc3)cc2)cc1 727947267 GHTOMGNSRBHZRO-UHFFFAOYSA-N 471.557 5.324 30 20 JKED COC1CCN(c2ccc(NC(=O)NCCSCc3ccccc3C#N)cc2C(F)(F)F)CC1 728128421 UXPGBWTVLVWTSI-UHFFFAOYSA-N 492.567 5.247 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1 728200664 PCKUSGPXJLXYMI-UHFFFAOYSA-N 469.520 5.130 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3)C(=O)N2CCCCC#N)cc1 728777234 JQEBGNRNCBQJTI-JOCHJYFZSA-N 492.601 5.162 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)c1 728778103 QDRQITGPYUNRQZ-OAQYLSRUSA-N 485.009 5.311 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)CC2)c1 729559978 QQMZKICORRUNGN-QGZVFWFLSA-N 476.429 5.919 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(Cc3cocn3)C2=O)cc1 730710563 NURIZUOXIDMEDS-LJQANCHMSA-N 489.384 5.450 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc3c(c2)CCC3)s1 730727747 UVSACTJMGHXMIJ-KKSFZXQISA-N 491.642 5.057 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 730944868 HBHOPEVUKMKWOX-WEGCMOFYSA-N 464.616 5.294 30 20 JKED Cc1cc(Br)ccc1SCC(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731062070 FWLLMCLAXKOZCE-AWEZNQCLSA-N 493.448 5.283 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCc2ccc(OCC#N)cc2)n1-c1ccccc1 731156302 NVNRYRJTKHBPFW-UHFFFAOYSA-N 456.571 5.658 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ccc(Cl)nn4)c3C(F)(F)F)cc2)c1 731331621 LQJTXNJHMITVIG-UHFFFAOYSA-N 484.825 5.251 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Br)C3)cc2)c1 731399434 BVOHASWLOSQUGT-QHCPKHFHSA-N 478.346 5.718 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4cccc(N5CCOC5=O)c4)c23)cc1 745588669 UQWCCJJHCWYGOW-UHFFFAOYSA-N 459.531 5.160 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCC(F)(F)F 750400320 PGZSWWFDMPWDSN-SFHVURJKSA-N 485.487 5.441 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCc2cccs2)C1=O)Nc1ccccc1 837300750 CNNCJIOEVZBBHL-HXUWFJFHSA-N 453.564 5.090 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)c3ccccn3)C2=O)c1 838592684 TWMWDHHJZUEPMU-UZUQRXQVSA-N 494.567 5.698 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cs2)cc1 900245374 LTZCEQSTCMGRHQ-UHFFFAOYSA-N 457.555 5.842 30 20 JKED N#Cc1cc(Br)ccc1Cc1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 904508343 LXPJHPLZLRQHDK-UHFFFAOYSA-N 451.255 5.288 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 913098871 JMXXGWVNDSRTIV-HXUWFJFHSA-N 451.935 5.380 30 20 JKED Cc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914538002 IGERKAODRAUQSC-LJQANCHMSA-N 475.586 5.110 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC)cc1 914550382 PBYFOOQTHRJDHJ-XMMPIXPASA-N 489.597 5.002 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@H](C#N)c1nc2ccccc2n1C 915100589 WDBNBVXGFDDCOW-WBVHZDCISA-N 499.621 5.449 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O 916209279 IKRLNAXAOIKFEF-NRFANRHFSA-N 482.968 5.343 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 916546474 SXGSNCIZXXARPR-UHFFFAOYSA-N 477.018 6.020 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 916695446 LFXOEQFRTHJVKZ-YXQVCNHYSA-N 495.432 5.175 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 916889499 HMKYDTITFLKWHN-VWNXMTODSA-N 464.974 5.519 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCc1cscn1 916906588 FDKBVRYIWGLOGA-OAQYLSRUSA-N 499.548 5.484 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 916972566 NWURKKYDFOYGKG-DNQXCXABSA-N 465.578 5.856 30 20 JKED C=CCn1c(SCC[S@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccc(OC)cc1 917184138 LSKZGTWTNXUUDK-LJAQVGFWSA-N 468.431 5.346 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 917328032 NYGGMKOQQQSPBO-ZDUSSCGKSA-N 492.837 5.586 30 20 JKED CCc1c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)oc2ccc(C)cc12 917558983 BQWPOPFLBVPTGF-FLIBITNWSA-N 464.974 6.994 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2cccc(C(C)C)c2)cc1 917612859 GNAZOOYKOPMKOO-UHFFFAOYSA-O 488.677 6.526 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c1 917677548 ULLDBEJZNQXDLO-RBZQAINGSA-N 494.636 5.030 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C(C)(C)C)CC2)cc1 917681757 BNMDQNGDZFTQKO-HSZRJFAPSA-N 496.652 5.357 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 920006064 FQDSKTOFKCGGLY-UHFFFAOYSA-N 450.258 5.250 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)NC(=O)c3cccc(Cl)c3Cl)n2)cc1 920139665 XBSVBTDOTDQRLS-BLLLJJGKSA-N 474.369 5.120 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2Cl)no1 920355088 JVEWPNQWILCQHM-LJQANCHMSA-N 489.384 5.450 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)c2cc(F)c(F)c(F)c2F)cs1 920527549 ZFRJHZYOYJUBRH-UHFFFAOYSA-N 492.372 5.760 30 20 JKED C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1722539353 NQAPVUVYPRJIBG-HXUWFJFHSA-N 470.415 5.000 30 20 JKED CCOc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1785769406 WZKJTVOSOFHSBG-UHFFFAOYSA-N 474.948 5.067 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)nc4sc5ccccc5n34)CCC2)cc1 1787646144 HWESUOXSBVICIF-UHFFFAOYSA-N 497.502 5.229 30 20 JKED Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1787795426 MOTGHNSKHZZYPK-BUHFOSPRSA-N 474.582 5.009 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)ccc2c1OCCO2 1788495862 CJTOJBYTTMSRAN-IBGZPJMESA-N 495.579 5.455 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCCC3(F)F)CCC2)cc1 1788650682 IYDSIQFNTUQUGI-LTDXDOBXSA-N 490.547 5.539 30 20 JKED C[Si](C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)co1 1788650727 KNDMFOGYFNHUCK-VAWYXSNFSA-N 492.673 5.073 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)cc2)CCC1 1788683597 RMZFQACRHCDAOU-UHFFFAOYSA-N 471.557 5.292 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789201209 PDMCUVIGRUTKJF-HSZRJFAPSA-N 481.637 5.104 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)c(F)cc5[nH]4)cc3)CCC2)c1 1789231133 LCXIMIVOWJLIHG-UHFFFAOYSA-N 470.479 5.379 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CSc3c(C)cccc3C)cc2)CCC1 1789647503 UETBDWZEUTVVNR-HXUWFJFHSA-N 467.635 5.331 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4Cl)cc3)CCC2)c(C(F)(F)F)n1 1789681120 FMYOQZQLSHIKTJ-UHFFFAOYSA-N 499.880 5.082 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)c1 1789878017 LPDKYLNDZXLNIC-UHFFFAOYSA-N 478.474 5.342 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)c(C)cc3OC(C)=O)cc2)CCC1 1790094555 DLEAMYPJPNCGIO-UHFFFAOYSA-N 485.378 5.007 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C(C)(C)c3ncccc3NC(=O)OC(C)(C)C)cc2)CCC1 1790364919 KGIOSRJRVWNQDX-UHFFFAOYSA-N 492.620 5.416 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccc(F)cn34)cc2)CCC1 1790880390 HEHRBGHAIMSMIM-UHFFFAOYSA-N 460.553 5.298 30 20 JKED CC(C)(C)CCCCCC(=O)Nc1ccc(C2(NC(=O)C(C)(C)NCCC#N)CCC2)cc1 1791382054 QCHGIIKWUBGXCO-UHFFFAOYSA-N 454.659 5.399 30 20 JKED Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)cc1 1791570499 LYURHZBTZPWKGA-XMSQKQJNSA-N 497.661 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5[nH]4)CCC3)cc2)c1 1792123526 GQFYJHZLYGMXSI-GOSISDBHSA-N 463.541 5.251 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(Br)c3)cc2)CCC1 1792178788 DOOPZZPADZWUHL-UHFFFAOYSA-N 460.759 5.154 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(NC(C)=O)ccc3Cl)cc2)CCC1 1792191282 FXKRJVBXDRCOJJ-QFIPXVFZSA-N 480.008 5.815 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3nc4ccccc4[nH]3)cc1)C2 1792572706 QUEZOLIXNCRAHE-NUNAXRQHSA-N 470.617 5.474 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2occ(-c3cccnc3)c2[nH]1 1799109728 WHYZPSKNUZXXNF-ACDBMABISA-N 460.578 5.067 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccc(C)cc4)CCCCC3)[C@@H]2c2cccnc2)C1 1802414039 PBFHJDRYXLFYKW-RPLLCQBOSA-N 471.645 5.264 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1802733736 GNTYAISUVDLSJK-CYFREDJKSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1803086696 LKGGARBIFZKWBV-LSYYVWMOSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1803091791 REXDUECDWNIUHG-OFVILXPXSA-N 482.024 5.222 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@@H](CNC(=O)CC#N)[C@@H]3c3cccnc3)cc2)cc1 1806284386 KTIZRCMYLTUXQS-YTMVLYRLSA-N 480.612 5.324 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1809100131 BYDXZHSLEBNBPY-QPPBQGQZSA-N 474.630 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1810173763 QLLHLVLGYHEGRX-CTVOUCONSA-N 496.655 5.389 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1810175021 HTFSUSUSSJUKSZ-ZRIRBKMQSA-N 494.079 5.949 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC=C(C)CC2)[C@H]1c1cccnc1)c1ccccc1 1810442911 BFTDDNKVYKMUCU-VNNZRSTGSA-N 469.629 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(OC)ccc3o2)[C@H]1c1cccnc1 1810499503 YYHMYMSSGJFJFL-CPJSRVTESA-N 475.589 5.148 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1810500893 ZEEZSWXHOSDHEL-NOZRDPDXSA-N 486.616 5.357 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c1Cl 1811418504 XTLIXYBBENAJLT-GAJHUEQPSA-N 497.357 5.033 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 1811923866 IHOQWWIBOIGHEH-CZZAQMAHSA-N 487.003 5.038 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[C@H]1c1cccnc1 1812449056 UDUWDPXOBLIJBP-ILWHBRQTSA-N 487.566 5.208 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)[C@H]1c1cccnc1 1813049138 MQXDPOJHLONCFG-RNAHPLFWSA-N 490.607 5.124 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1814301851 PMOMYSYBSPZAIG-PWUYWRBVSA-N 487.669 5.101 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](c3ccccc3)C(C)C)n[nH]2)c1 1814930767 BRVFCVYHTMHRMS-AOYPEHQESA-N 485.588 5.036 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)n[nH]2)cc1 1818593297 KCFITWDGUFTWKT-JOCHJYFZSA-N 472.936 5.036 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)ccc2n1 1818673927 CBXFTHTUNOTBDT-VDZCTEQFSA-N 499.596 5.073 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1819307449 UWZQJFAXZXZDCS-NVXWUHKLSA-N 454.621 5.760 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n[nH]1 1819738506 QCINIJMNIYLCDM-QGZVFWFLSA-N 464.397 5.410 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820149745 YFWAVNADLQDPIJ-JOCHJYFZSA-N 480.572 5.185 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820151593 ZPHNXCDDROZESU-HSZRJFAPSA-N 465.557 5.049 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n[nH]1 1821151084 SKJSDDGEPCNYHP-MHZLTWQESA-N 496.611 5.098 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)cc2s1 1821438510 RTOQTFCBVQQTLI-QFIPXVFZSA-N 486.601 5.071 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)S)n[nH]2)cc1Cl 1822384992 KWGABMSKRZWEQK-PXAZEXFGSA-N 485.437 5.128 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3CCc4ccccc43)n[nH]2)cc1C#N 1822525534 GMZYMMWBHJEZFF-NOZRDPDXSA-N 497.599 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1823217721 WXZVCLHBJPJLAB-QMHKHESXSA-N 486.963 5.182 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1823659854 ISTCDDCZJQXQDO-QHCPKHFHSA-N 497.064 5.266 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1823678213 JXIYOIDBRWFHRM-AREMUKBSSA-N 489.019 5.549 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1823751913 DCMHKCVUOAVNHE-QFIPXVFZSA-N 453.652 5.522 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)cn2)CC1 1823753936 PSZKJGNZRPCKAT-OAQYLSRUSA-N 476.459 5.070 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1824144949 NVYPKUOUZWLPNU-XMMPIXPASA-N 491.598 5.421 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1824247223 ALRQCOCUUMRDIE-RPBOFIJWSA-N 457.058 5.666 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1824499776 MYGSKXVHXHTUSN-HHHXNRCGSA-N 489.660 5.273 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 1824499896 RHNHLHAGRSEEHY-NRFANRHFSA-N 460.684 5.262 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c(C(F)(F)F)o1 1825960677 IWDFGCXECQLMCX-QFIPXVFZSA-N 487.522 5.220 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)CC1 1826371144 NWAGRWNSJIEQNQ-UIOOFZCWSA-N 452.639 5.016 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1 1827413036 DTLAWHAROJBWAZ-JOCHJYFZSA-N 461.587 5.222 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1827921793 LUXYCONZLRFRST-VWLOTQADSA-N 484.625 5.229 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)c1 1829775752 GJQJGXIGADLATP-NRFANRHFSA-N 481.021 5.302 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2)CC1 1830582397 MYDNJMNOGZFCFQ-DHIUTWEWSA-N 460.565 5.290 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830607918 KPEVRCLTRFAQEI-YIXXDRMTSA-N 492.664 5.128 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1Cl 1830750203 MDDZMTAMDPYHNK-RUZDIDTESA-N 476.020 5.636 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3)CC2)cc(C(F)(F)F)c1 1830755584 IJPWHHZIMBXZAL-HSZRJFAPSA-N 469.507 5.124 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1)c1ccccn1 1830755934 PXYBJIYTJSXVEL-KOSHJBKYSA-N 498.549 5.009 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831239008 LECXTAAWWCJIIY-XMMPIXPASA-N 495.491 5.529 30 20 JKED C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2CSc2ccccc2)CC1 1831324065 XPMCFXJOQHDFOT-DEOSSOPVSA-N 482.596 5.124 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1831447512 VZAHCRADXYKNTB-QFIPXVFZSA-N 475.967 5.333 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1832029988 BTSUDZCLDSYWHQ-QFIPXVFZSA-N 496.545 5.194 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832670207 FPFWPPHDUSJWBZ-UQBPGWFLSA-N 494.035 5.523 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1837685861 WELDXCQVZOTKDA-MCEYFSPLSA-N 454.655 5.027 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1838375359 DBCAYKHVCDTNIO-OAQYLSRUSA-N 493.475 5.682 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 10172892 VDDMCTJJQDBVCB-UHFFFAOYSA-O 489.633 6.602 30 20 JKED CCCCN1C(=O)N[C@H](c2cccc(C#N)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 10353612 GNUFVRHRMYPXKO-OAQYLSRUSA-N 456.468 5.356 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10756668 DNYFBTWSSGNPKV-UHFFFAOYSA-O 487.020 5.918 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)C(=O)Nc1ccccc1C#N 10822366 ZYKXQDADPSUKLJ-CQSZACIVSA-N 498.395 5.884 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Cl)c2)cc1 10830510 QYLPJHWKPFNDSV-UHFFFAOYSA-O 473.996 6.860 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 11089563 UJBOYERMSNRCLS-UHFFFAOYSA-O 459.969 6.136 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 11260863 DPQZAPJLALZTPB-UHFFFAOYSA-O 489.567 5.903 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)Nc3oc(C)c(C)c3C#N)o2)cc1 11752324 HQLZWJHMBJZWJC-UHFFFAOYSA-N 455.470 5.194 30 20 JKED COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SC[C@@H](C#N)CCC#N)c1 15238168 YUOMKBYINDEIRY-LSCMLXDISA-N 458.587 5.739 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccc(Cl)cc1Cl 15268356 CDJIYPYAKTTZRV-UHFFFAOYSA-N 476.389 5.127 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)cc1 21397264 HKJAAZXUWSUMAE-HSZRJFAPSA-N 453.999 5.043 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccccc1OC 21673669 CQTLKICDQGAATI-ZWKOTPCHSA-N 450.608 5.773 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nnc1-c1ccc(F)cc1 22162711 HMVWEORLNUMWTH-HNNXBMFYSA-N 489.601 6.089 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1cc(Cl)cc(Cl)c1 22733063 VZWYIRXSNWQLCG-UHFFFAOYSA-O 466.360 6.172 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(CC)cc2)cc1 22733116 JWYNFKFAMDIGQL-UHFFFAOYSA-O 474.433 6.293 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc3c(c2)CCCC3)cc1 22801385 PJELYOAOCYXCBL-UHFFFAOYSA-O 473.662 5.249 30 20 JKED O=C(CSc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1)NCC1CCCCC1 24449305 MDZMEEJHLDIMKR-UHFFFAOYSA-N 488.575 5.276 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)nnc1-c1ccc(F)cc1 26049015 CLPMUNBDQZDSDX-UHFFFAOYSA-N 465.535 5.121 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c2c1=O)CC[C@H](C)C3 36186778 YNKCPNVQVDQSTC-ZDUSSCGKSA-N 495.586 5.019 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccccc1Sc1ccccc1C#N 71938758 OTSIAKJTHWIGGL-UHFFFAOYSA-N 452.583 5.804 30 20 JKED CCc1nc2cc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)ccc2o1 195682799 IAKYDOFBWLJYOH-UHFFFAOYSA-N 456.527 5.245 30 20 JKED N#Cc1c(F)cccc1N1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 195698167 QWTHYQDBDMRJHF-UHFFFAOYSA-N 471.319 5.154 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cn(C)nc2-c2ccccc2Cl)cc1 303370294 JTHOLOMYSPCVAS-UHFFFAOYSA-N 458.905 5.665 30 20 JKED C=CCN(C(=O)c1ccc(NC(C)=O)c(SC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476180296 WOJNOLGYKBIDDE-UHFFFAOYSA-N 492.453 6.630 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 476481334 BIUDQDQENNOBPT-RUZDIDTESA-N 477.511 6.132 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 486044182 JXGIMJBKUYSMRU-UHFFFAOYSA-N 476.605 5.597 30 20 JKED Cc1noc(OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccc(C)o2)CC3(C)C)n1 501977531 LHTLLDFWJQEOBM-SOFGYWHQSA-N 450.520 5.008 30 20 JKED COc1c(C)cc(CN(C)C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1C 506065269 WTKPMFLDNLJXAI-UHFFFAOYSA-N 473.598 5.187 30 20 JKED COC(=O)Cc1sc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)nc1-c1ccccc1 507543522 BCSKOZQOSXXMFG-UHFFFAOYSA-N 499.617 5.942 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)cc1Cl 510043967 KRMYCDSGZSLBNL-DEOSSOPVSA-N 472.976 5.375 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)c(C)c1Cl 513672276 QTOIREYIBZCUKC-KRWDZBQOSA-N 477.977 5.222 30 20 JKED COc1cccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)N2CCCC2)c1 514171998 KHPATKKMCFMGIU-NDEPHWFRSA-N 486.591 5.255 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccc(OC)cc1 514584639 WEXFTLMUNNLTES-XMMPIXPASA-N 486.597 5.620 30 20 JKED C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 514961338 YCUAATSUODQFFO-ZDUSSCGKSA-N 452.605 5.575 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 515426676 MAZPVFHGKOUVFN-LJQANCHMSA-N 472.545 5.247 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N[C@@H](C#N)C2CC2)nnc1-c1ccc(Cl)cc1Cl 517492405 YFLLSTPNGMOFND-SFHVURJKSA-N 472.401 5.060 30 20 JKED C=CCN(C(=O)Nc1ccc(Sc2nc(C)cs2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 517530058 XOOIQWXFRAIPCB-QGZVFWFLSA-N 477.619 5.360 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)n2)cc1 517800655 AFGBRRNOFSODGC-FQEVSTJZSA-N 495.951 6.271 30 20 JKED CC(C)n1ncc2c(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cc(-c3cccs3)nc21 517802313 PZSJKKMURNGXDH-UHFFFAOYSA-N 473.558 5.072 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1Cl 517896181 YDMXTVBFBAJJBL-JTHBVZDNSA-N 491.954 5.562 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(Cn3cnc4ccccc43)cc2)cc1OC 518280083 PBSRDHTXFJVJAJ-UHFFFAOYSA-N 492.417 5.710 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(NC(=O)C4CCCCC4)CC3)c2)cc1 520131004 CWVZOUOQWCYNHP-UHFFFAOYSA-N 474.605 5.024 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 520139754 JPDNHEXEYAPOQB-UHFFFAOYSA-N 474.358 5.401 30 20 JKED Cc1ccc(I)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 520532416 SUGRXNPNZSAPJW-UHFFFAOYSA-N 454.267 5.516 30 20 JKED N#C[C@H](C(=O)c1cc2sc3ccccc3c2s1)c1nnc(N2CCOCC2)n1-c1ccccc1 521634532 XTUGEAASSARJGF-GOSISDBHSA-N 485.594 5.023 30 20 JKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 521741281 ASWCTSIVTIXBGD-HOYKHHGWSA-N 491.588 5.125 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)c2)c1 521811313 CDZRTKXPVWNOIT-LJQANCHMSA-N 473.602 6.355 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2F)c1 524455853 FGBIFGLEMOGEGR-UHFFFAOYSA-N 467.456 5.572 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3I)cc2F)c1 524458469 ZOWQXNVASSMXBF-UHFFFAOYSA-N 490.247 5.272 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1 552580940 DAWJYRJLPNLCEY-UHFFFAOYSA-N 477.029 5.982 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 603530299 UNFIXVLDLNZINY-LFVJCYFKSA-N 497.620 5.782 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603615628 CKXIJRYMPTYGOR-UHFFFAOYSA-N 498.431 5.436 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1 603765988 HVTJJAWOJUOSRF-HSZRJFAPSA-N 486.959 6.015 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Cc1csc(-c2cc(Br)cs2)n1 603933771 PUQSXNSTNJVMNC-UHFFFAOYSA-N 478.462 5.098 30 20 JKED Cc1nc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)sc1SCC#N 603964440 MYCCXLDOOGKQIV-IRLDBZIGSA-N 476.627 5.186 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC(F)F 604142542 QFVAMKCTULCNIL-UNMCSNQZSA-N 497.929 5.803 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cc4c(s3)CCCC4)cc2Cl)cc1 604145950 QRVUDMRISAIXEC-UHFFFAOYSA-N 465.962 5.199 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CC3CCCCC3)c3ccccc3)cn2)cc1 608799523 WNSFPVUYTYJWRK-VWLOTQADSA-N 468.557 5.512 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cs2)cc1OC 609061963 NDPNMTZQRKWWBU-UHFFFAOYSA-N 499.592 5.768 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 609066191 MEMSNHHAUVFLAQ-UHFFFAOYSA-N 469.463 5.445 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104678 LHLYWBPUWQFPFD-UHFFFAOYSA-N 472.495 5.399 30 20 JKED CN(C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1ccc(C#N)cc1F 609216855 QBAFKDSRCVJCRO-UHFFFAOYSA-N 462.834 5.321 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cs2)cc1 609427355 GRJRYZAWLGBPDW-UHFFFAOYSA-N 455.539 5.876 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 609434960 GZSHZNGBVYNHPS-ZDUSSCGKSA-N 451.379 5.490 30 20 JKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346325 GYCWUMVEWXVWLT-CYBMUJFWSA-N 472.275 5.943 30 20 JKED C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1[C@@H]1COc2ccccc2O1 613907626 JUFNFEBYRZAJFJ-CLOONOSVSA-N 498.608 6.082 30 20 JKED O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301531 RLDHRWBNYKLIQU-HZPDHXFCSA-N 486.431 6.496 30 20 JKED C=CCn1c(S[C@@H](C(=O)N(C)Cc2ccc(OC)cc2)C(C)C)nnc1-c1ccccc1F 639394740 PYUPWHLXVJNEJF-JOCHJYFZSA-N 468.598 5.054 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nc2ccccc2n1C(F)F 648080350 SWRPCPHVNGTNET-AWEZNQCLSA-N 475.952 6.295 30 20 JKED COc1cc(C=Nn2c(S)nc3ccccc3c2=O)ccc1OCc1cccc(C(F)(F)F)c1 725860254 YXLTXCZQPYVLAX-UHFFFAOYSA-N 485.487 5.174 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(OC)ccc1OC 726400080 YQVGHPQJWBSOFW-GOSISDBHSA-N 494.400 5.157 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3csc(-c4ccccn4)n3)c2C#N)C1 726643143 NFBJRPDUSGIWAZ-HNNXBMFYSA-N 494.642 5.475 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 727134006 ULEROLYBUNVEDK-TZYHBYERSA-N 476.577 5.561 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)nn(CC)c2C)c1 727252031 NZSHLFTXVWSWJI-XMMPIXPASA-N 489.645 5.243 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 728149472 JCOHUNAJXCEMOU-HNNXBMFYSA-N 494.363 5.210 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cscn3)C2=O)cc1 728424506 CLJVWTNANJFYKZ-QHCPKHFHSA-N 497.605 5.328 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2CC(F)(F)F)c1 728424937 JTZLXOYYZGBFEK-IBGZPJMESA-N 474.508 5.204 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cc(Cl)cc(Cl)c1 728780701 XGCKNSOHJSYLCZ-IBGZPJMESA-N 493.391 5.787 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729144207 CJKYZZPUGCWERI-FPOVZHCZSA-N 491.535 5.036 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(C)c2)cc1OC 729255028 QQJWSFRSTMZNSB-GGRWDMAWSA-N 460.549 5.754 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C)c(C)c1 730504529 NOASAXBKCDSIEO-IBGZPJMESA-N 493.601 5.225 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943959 OHGLZXUAMGZWHL-AOMKIAJQSA-N 495.004 5.465 30 20 JKED CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 731061074 UJFZZRHTSBQWCA-GOSISDBHSA-N 496.589 5.021 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc(Cc2ccc(Br)cc2)cs1)c1ccccc1 731224446 FNRLAVUKPGHGDF-UHFFFAOYSA-N 497.418 5.162 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Br)c2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731308783 OCKXEDZABAAAMT-LJQANCHMSA-N 488.407 5.058 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C 731310679 NHJXTUMZNGPHAN-DEOSSOPVSA-N 489.597 5.008 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCOC(C)(C)C)C2=O)cc1 746696424 NGSHSTPGLIJGFF-HSZRJFAPSA-N 495.645 5.281 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 746697427 FMCLDLCNLYJXNM-IBGZPJMESA-N 495.979 5.394 30 20 JKED COc1cc(/C=C2\CN(C(C)(C)C)C/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 747066403 JVCRZGJMAWQWOO-KGMKFKQSSA-N 492.399 5.572 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C 749360791 FXKFYBSSHZAOAA-UHFFFAOYSA-N 480.597 5.798 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCc2csc(C)n2)ccc1Cl 796524215 IMIKYKDRHHTLDU-UHFFFAOYSA-N 497.425 5.497 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(F)c(Cl)c1 799215512 USCJVIHWKKDLOD-INIZCTEOSA-N 485.324 5.021 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 913099775 SYIDEOBDRJSDIE-AWEZNQCLSA-N 478.279 5.140 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccccn2)C1=O)NCc1ccccc1 914553862 KZVOWMIZFUIGAC-NRFANRHFSA-N 499.423 5.227 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)Cc1ccco1 914690237 OBLQHYPZQQZRDW-OPAMFIHVSA-N 481.549 5.019 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)Cc3ccco3)C2=O)c1 914690873 IDVLCHAJWWNTOY-CVDCTZTESA-N 461.587 5.488 30 20 JKED CC(C)[C@@H](NC(=O)c1cccs1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104083 JXMRMDIGFJNMDJ-BLLLJJGKSA-N 451.495 5.007 30 20 JKED Cc1cc(Br)ccc1SCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915107931 YHCCSSJUZZNCLW-ZDUSSCGKSA-N 450.308 5.471 30 20 JKED COc1cccc(-c2nc(/C=C(\C(=O)Nc3ccc4c(c3)OCCO4)C(=O)c3ccccc3)cs2)c1 916156040 AEYDPVQVRFZLQV-HAHDFKILSA-N 498.560 5.495 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C[C@@H]2CCCO2)c1 916207914 OTESOKGSFTUNDM-QFBILLFUSA-N 492.428 5.441 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1C 916208057 RZTLEUHJAGWIBX-HXUWFJFHSA-N 493.551 5.319 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 916208914 AFBVYOAQUVKMPP-HXUWFJFHSA-N 468.941 5.035 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1F 916211236 LQICVVMCEFJLCT-NRFANRHFSA-N 451.498 5.125 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cccc(Cl)c1 916211282 BMPCFDZPERROKC-HXUWFJFHSA-N 475.998 5.118 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O 916212233 UMXZRRUWLHMGAL-FQEVSTJZSA-N 469.950 5.102 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916217088 DVHAOGMJVVLNOD-IBGZPJMESA-N 496.416 5.381 30 20 JKED COc1ccc2cc(/C=C/C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)ccc2c1 916846831 GTJTTYCNXXMMPJ-OEMHODTASA-N 455.539 5.327 30 20 JKED C=CCc1ccc(OC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c(OC)c1 916859537 FFNHEYDIGRFWJY-UHFFFAOYSA-N 470.319 5.180 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916886534 HRNSYYOIFUEMTA-NRFANRHFSA-N 475.520 5.965 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 916905143 AWGRHZBATKAMAK-IBGZPJMESA-N 484.383 6.053 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 916913982 JCAMPYJIMPOAMB-LJQANCHMSA-N 463.559 5.131 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 916955176 MYGPHLNFLPXJMQ-ZHRRBRCNSA-N 463.628 6.219 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=S)Nc2ccc(Cl)cc2Cl)cs1 917533032 CKPFYJLXARLJMM-UHFFFAOYSA-N 478.430 5.763 30 20 JKED CCC(=O)N1CCc2cc(C3=NNC(=Nc4cc(C(F)(F)F)ccc4Cl)SC3)ccc21 917626222 KBNPTYJXBBHMBD-UHFFFAOYSA-N 466.916 5.386 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c1 917677553 ULLDBEJZNQXDLO-WXFUMESZSA-N 494.636 5.030 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 917680099 BZJGCPOURDEBCI-SBUREZEXSA-N 491.592 5.008 30 20 JKED CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2sc(CC)cc2C#N)c(Cl)cc1Cl 917879095 YWXXVSYQBJRLMM-LLVKDONJSA-N 474.435 5.208 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1C 918919952 JGJIBWWUVYUVJT-UHFFFAOYSA-N 497.473 5.613 30 20 JKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 919652570 MKGSLNZZDOXMDB-UHFFFAOYSA-N 471.586 5.499 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)c1 920109261 NGXLDIIKRUXMQB-IBGZPJMESA-N 497.382 5.418 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920109817 JILGNLPNOJRURG-QAPCUYQASA-N 483.977 5.363 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2c1C 920112471 ASMOSBCRMIGTDC-CYBMUJFWSA-N 457.531 5.412 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n1 920326377 DYSCWFXJPQDXJZ-IBGZPJMESA-N 479.508 5.555 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ncnc3sccc23)cs1 920369278 VHEJBZWRLHOVFO-UHFFFAOYSA-N 462.482 5.297 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccccc2Br)cs1 920371487 KZFLNRGNJBFTDR-UHFFFAOYSA-N 483.313 6.055 30 20 JKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806787 PTDMHSSNRORFRQ-QWRGUYRKSA-N 453.297 6.039 30 20 JKED CCOc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 920832011 AEAFHNJCUHMKKF-IPFUAWGMSA-N 493.648 5.138 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc2ccccc12 920867982 ZJNLWSQERJEHHC-KOSHJBKYSA-N 491.613 5.091 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)c(Cl)c3)CCC2)cc1 1786366903 FMMNSJDDNWDMAO-UHFFFAOYSA-N 462.377 5.119 30 20 JKED O=C(CCc1ccc(C(F)(F)F)cn1)Nc1ccc(C2(NC(=O)C(F)(F)C(F)F)CCC2)cc1 1786873510 JJHYDFGXGRSPEP-UHFFFAOYSA-N 491.407 5.068 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cn(-c4cnn(C)c4)c4ccccc34)cc2)CCC1 1788689332 CPBQDEUKQNLEAO-UHFFFAOYSA-N 499.640 5.031 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1789458211 QDHCVQRDYAWBDH-HKLKAILGSA-N 493.648 5.288 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4Cl)cc3)CCC2)c1 1789731404 HXMHEFAZNXPVTB-QGZVFWFLSA-N 458.949 5.424 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ncc(C(F)(F)F)cc4Cl)cc3)CCC2)CCC1 1789870029 FUCHRWKQVUXCAF-UHFFFAOYSA-N 476.886 5.195 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)CCC2)c1 1790267576 WRRDLFXQGPJILA-UHFFFAOYSA-N 453.329 5.255 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCCN4Cc4ccccc4)cc3)CCC2)C1 1790352987 KVSXDDWUFSVPFX-SANMLTNESA-N 457.618 5.141 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccc(C)cc3)CCC2)cc1 1790568683 XYZVTXXSPSTRAM-LJQANCHMSA-N 453.608 5.022 30 20 JKED CCOc1c(F)c(F)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)ON=C(C)C)CCC3)cc2)c1F 1790781052 NDZPXNDQZPOYHT-OAHLLOKOSA-N 491.510 5.051 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5c(F)c(F)ccc5c4)cc3)CCC2)c1 1790965404 DABHGJVCKXGKBA-UHFFFAOYSA-N 482.490 5.446 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)CCC2)cc1)C(F)(F)F 1791304828 LRQYZYNZVKWGIK-UHFFFAOYSA-N 496.411 5.219 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CC[C@]3(F)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791588270 CFSCKMRSJNEEPK-AREMUKBSSA-N 487.616 5.216 30 20 JKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1)c1ccccn1 1791941730 GEXUSYZRQGJRKE-QGZVFWFLSA-N 458.949 5.158 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)no1 1792122197 FNRWVKAPFAPODF-SFHVURJKSA-N 456.546 5.487 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)n[nH]1 1792125109 RRJVRFIJHAIVKI-GOSISDBHSA-N 455.562 5.222 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ncccc34)cc2)CCC1 1792290309 KGENVXMONOJAAI-UHFFFAOYSA-N 456.590 5.398 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Cc1cccc(Br)c1)C2 1793054627 FLKVBSOLWNHVKX-QMZRJTEUSA-N 473.455 5.034 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2-c2ccc3ccccc3c2)c1 1796515516 HVLMRANNFTVQEQ-LGKQTMLJSA-N 486.575 5.339 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cc(Cl)ccc12)c1ccccc1 1797443553 RJUVEWGMPXVAJS-KAOXLYBCSA-N 474.004 5.270 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(C#N)c3Cl)C4)cc2n1 1797958243 FBNAHYSZFRUPMV-REPLKXPHSA-N 493.394 5.287 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2nc(-c3ccccc3)ccc12 1799101237 JLTFZKMWCOWBRI-BJESRGMDSA-N 468.601 5.250 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C#N)c1Cl 1799302638 IQJDBUBTGZALOX-WKCHPHFGSA-N 484.987 5.148 30 20 JKED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](F)c2cccc(F)c2)c1 1799434951 UVGJEFLTKSCFQR-AYEHBTSNSA-N 496.598 5.080 30 20 JKED O=C(Cc1cccc2ncccc12)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800505216 VMLOTRBVRUZLHG-PKQPGRETSA-N 499.614 5.129 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnc3cccc(Cl)c3c2)c1 1801142286 BRWFNGIFSUQVSA-ZIPUMODLSA-N 472.976 5.081 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1Cl)C2)c1ccc(F)cc1 1802149351 VEUFOPOJYYCPPD-XARGGIHNSA-N 467.972 5.042 30 20 JKED N#CC1(C(=O)N2CC[C@@H](CNC(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@@H]2c2cccnc2)CC1 1803220614 CYWNMJOTVFAOHK-LJXOIELBSA-N 491.035 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1803988394 FMLPFWLZNYPLLR-CAYSGGIESA-N 477.571 5.225 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC2(CCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)CC1 1805334961 ISEXHIRHQAPKDL-IBGZPJMESA-N 487.090 5.165 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4C[C@@H]4c4ccc(F)c(F)c4)C3)CC2)c(Cl)c1 1805612443 BIVHTKHPNZPGKI-NHCUHLMSSA-N 497.973 5.138 30 20 JKED Cc1cc(C)c(OCC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)C2)c(C)c1 1805866709 RLJJDBBTQQMNSU-DEOSSOPVSA-N 487.644 5.163 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1806411556 XWWRBOFOEWVMLH-XRKRLSELSA-N 467.613 5.252 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc(F)cc4F)C3)CC2)c1Cl 1806468196 CGTRXEAPKFSCOP-SOFGYWHQSA-N 483.946 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1809342511 PLPNCTVTVMFJIO-ZJSXRUAMSA-N 476.646 5.312 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@H]1c1cccnc1)c1ccccc1 1810444692 SHCRSXGTODZPRV-YCVJPRETSA-N 490.607 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1810489801 OFCRUNCPSQASFG-DENIHFKCSA-N 489.538 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1810494094 CSMLAILSPFOKSH-OFNKIYASSA-N 476.646 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1810500428 PRTDBNGGBORYDB-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810503098 OBJMEUBHOATZQG-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1811182325 RYHONZSKQIHDCZ-AHKZPQOWSA-N 488.676 5.384 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(CC(C)C)cc3)[C@H]2c2cccnc2)c1 1811629968 SDNFVDGQPNVURJ-XTEPFMGCSA-N 480.612 5.094 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)c1ccccc1CSc1ccccc1 1811688941 FQTQWTSWWFTBAW-PWUYWRBVSA-N 495.648 5.107 30 20 JKED Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c1Cl 1811752704 SASVNBDVPQWTSO-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c(C)cc2OC)[C@@H]1c1cccnc1 1812015828 MSMQRPKTVUYHFC-DHLKQENFSA-N 463.622 5.019 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1813057977 KEMKKGAULPPMHC-QFQXNSOFSA-N 461.650 5.572 30 20 JKED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1cccs1 1813340592 KXZJIIHJXFQZEB-UWDQQESISA-N 481.738 5.004 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1813832354 ZCJOQMPRIINTIX-YADARESESA-N 493.394 5.202 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1817121048 SKIAULAFYMYGTC-HXUWFJFHSA-N 472.574 5.229 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)[nH]n2)c1 1817738623 DPSJAXGADKTHMQ-VWNXMTODSA-N 477.634 5.040 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(-c3cccnc3)n2)n[nH]1 1818149592 GULYOQYWFPOUOL-WIYYLYMNSA-N 476.606 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)[nH]n1 1819303498 JXFLJPQRUPHLNL-NRHQITNBSA-N 457.578 5.365 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)[nH]n1 1819303706 ZPPMGNDTULRHJA-RDGATRHJSA-N 471.605 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(OC)cc3)CCC2)[nH]n1 1819309219 OWUKZOZRNDRXSO-UPVQGACJSA-N 476.621 5.301 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384639 VBMASHVOOALRNK-OAQYLSRUSA-N 497.741 5.274 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)[nH]n1 1819552551 QFIFYZUALYUYTC-QGZVFWFLSA-N 464.397 5.410 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ncccc3C(F)(F)F)n[nH]2)c1 1819901737 AQRFZYUPNCAFMG-QRWLVFNGSA-N 496.493 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(-c3cccs3)on1)CC2 1820100010 LKUODNHIVBDIQM-CQSZACIVSA-N 470.620 5.078 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c(F)c1 1821181115 GGROOUHKSHSMBN-DEOSSOPVSA-N 489.551 5.022 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821213846 BQRILLVDGVPNPC-KUHUBIRLSA-N 462.953 5.119 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821242127 BYGCXWXLVNFWFD-FQEVSTJZSA-N 484.398 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277875 MBSSRIYZNOHKPU-UTKZUKDTSA-N 451.958 5.009 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1)C(F)(F)F 1821992374 OWTPPWRDQCJLAO-QGZVFWFLSA-N 477.874 5.036 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)[nH]n2)cc1C#N 1823290436 AZGYUICSBUBCJW-XMMPIXPASA-N 496.571 5.170 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)C1 1823704783 TVISEVYJSICWQW-NRFANRHFSA-N 468.947 5.558 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1823990161 VPFNAMPZWOHMOE-VWLOTQADSA-N 481.999 5.135 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2)CC1 1825824648 YPCGUJSPFUPSNN-LJAQVGFWSA-N 477.608 5.029 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827534851 CLTGOICHPFRKGV-DEOSSOPVSA-N 481.434 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)n2)CC1 1829243045 HFRVXMNLQNRVBY-HXUWFJFHSA-N 465.560 5.326 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)CC1 1829596916 SRUOGRXSPFLBRJ-QHCPKHFHSA-N 486.641 5.433 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1F 1829686167 XEDROWHOZAYLCJ-JOCHJYFZSA-N 467.972 5.206 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(CC)CCC2)CC1 1830359498 XLDCPMUUFZVJBK-DHIUTWEWSA-N 489.701 5.046 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830716641 DGFGHUKZSIZBCN-DEOSSOPVSA-N 479.596 5.443 30 20 JKED Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830722673 ODOMKHZIBFLISW-XMMPIXPASA-N 467.972 5.206 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)cc3Cl)CC2)c1 1830771000 PHELNRJQIDZFOY-WHVGEVHXSA-N 492.019 5.172 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1)C(F)(F)F 1830980609 URUUVPPEBRPBMA-IBGZPJMESA-N 464.553 5.562 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1831443868 BWIRDQAZERHYJX-HXUWFJFHSA-N 472.498 5.079 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1831444055 GZIIRQRGTGPXRO-XMMPIXPASA-N 481.587 5.502 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1831531565 XVGJDUAXNXSUEJ-IBVKSMDESA-N 461.581 5.043 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c1 1832632727 BLERMGBWXXSQFU-AFMDSPMNSA-N 486.641 5.470 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711985 YVHPWOSFNCSAHN-QFIPXVFZSA-N 484.534 5.061 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)CC1 1836695067 WLTOVTUDIPZDEA-HHHXNRCGSA-N 466.666 5.193 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)CC1 1838743191 CJCDXGQFYAXWGQ-UHFFFAOYSA-N 473.057 5.117 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccc(F)cc3)cc1F)C2 1844203733 HARJPZQYUHOMRP-QFIPXVFZSA-N 450.529 5.217 30 20 JKED O=C(O)c1ccccc1/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1857777144 VIQAJOVQSKBFHD-OTSMZHERSA-N 454.751 6.725 30 20 JKED N#CC1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)CCCCC1 8641562 UJVHRFHYYROEAU-UHFFFAOYSA-N 451.983 5.022 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2)cc1Cl 9023582 HOSNQBSTSLQQPI-QGZVFWFLSA-N 496.036 5.420 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2cccc(CC)c2)cc1 10174506 DATQDKBILRDHOD-UHFFFAOYSA-O 468.440 5.912 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2cc(Cl)cc(Cl)c2)c1 10179295 KFIQBIATWRTRGA-UHFFFAOYSA-O 458.434 6.764 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 10760311 AOZXSNPVOAWOGG-UHFFFAOYSA-O 473.037 6.070 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1ccc(F)c(F)c1 10836615 XVMJZMRIBHZQAV-UHFFFAOYSA-O 454.305 5.316 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1F 11170706 BLUSXMCSAOBNAX-UHFFFAOYSA-O 477.531 6.033 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccc(Cl)cc1Cl 14133497 QPZHZGUMNHEDQH-UHFFFAOYSA-N 461.418 6.040 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2cccc(C)c2)c(Cl)c1 15248376 YZSQTRHRKLSZNE-UHFFFAOYSA-O 452.043 6.529 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccc(OC)cc1 16562535 HPGHQECPYDZMHC-DEOSSOPVSA-N 486.597 5.620 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C(C)C)nc3ccccc23)n(Cc2ccco2)c1C 18024760 HANKLJQWEDRNDF-UHFFFAOYSA-N 470.529 5.085 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1 18952421 WWUQHWCSTSBERX-UHFFFAOYSA-N 487.560 5.253 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)o3)o2)nnc1-c1cccc(C)c1 22200896 ULWQNBCHQDPIBP-UHFFFAOYSA-N 458.341 5.137 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc3c(c2)CCCC3)cc1 22693313 MQNXRRJVUQRRSH-UHFFFAOYSA-O 481.641 6.456 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nc(COc3ccc(F)cc3)no2)cc1 23372553 NHNWASDDNIMHKO-UHFFFAOYSA-N 475.501 5.309 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C3\S/C(=N\c4c(C)cccc4C)NC3=O)c2)cc1 23724227 ZYQIJLSTUVVQCE-JCMHNJIXSA-N 457.555 5.456 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nnc1-c1cccc(C)c1 25023182 IZDDFEUQXLTYOL-UHFFFAOYSA-N 489.670 6.435 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1cccc2ncccc12)C(C)C 32785497 PEMCXQNGROSODX-DEOSSOPVSA-N 457.603 5.359 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 32789070 FDWQOTZRPVRDCT-OAHLLOKOSA-N 497.596 5.576 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 59799196 LAGHGQCBOAUTLV-UHFFFAOYSA-N 456.502 5.092 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nc2sc(-c3ccccc3)cc2c1=O 79408038 HXLCVAOXFTXJDI-MRXNPFEDSA-N 479.631 5.208 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 109097256 UWCAAGPEDYDDCY-UHFFFAOYSA-N 474.464 5.217 30 20 JKED C=CCn1c(SCCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccco1 247980841 HAVLZZGNPDSNKL-OAQYLSRUSA-N 450.589 5.174 30 20 JKED Cc1ccc(Cn2nc(C)c(C=Nn3c(S)nnc3Cc3cccc4ccccc34)c2C)cc1 254820762 BUOYZVUHMIBMSA-UHFFFAOYSA-N 466.614 5.363 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 303321399 UHEVEKXKWIGPFW-AWEZNQCLSA-N 458.012 5.118 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 477223769 XNRVTMKOHWMZAJ-HSZRJFAPSA-N 463.969 5.239 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 491502649 RJJCJDDBQSEZAK-LJQANCHMSA-N 496.061 5.850 30 20 JKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSc2ncccn2)sc2c1-c1ccccc1CC2 499780732 XOBODXHKSQFBQP-UHFFFAOYSA-N 494.601 6.466 30 20 JKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccccc1-c1ccccc1C#N 501744993 MNXIKNLRSYWLKG-UHFFFAOYSA-N 453.542 5.502 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 502707721 UBXKCMPEKIPNPS-UHFFFAOYSA-N 464.949 5.081 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1OC 503377566 XSYFLLDAEKDVBA-GOSISDBHSA-N 459.493 5.196 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c1 505488444 UXWMHBLLDXTDPZ-NRFANRHFSA-N 471.626 5.378 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)cc1 505626497 SWZUBBFLTRCUDC-QFIPXVFZSA-N 469.541 5.159 30 20 JKED C=CCn1c(SC[C@H](O)COc2ccc(C(C)=O)cc2)nc2cc(-c3ccccc3)sc2c1=O 508563654 LHUWGIKAXYFHIR-HXUWFJFHSA-N 492.622 5.046 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)c2nccs2)cc1 509221891 CMFRKKFTADZIDO-XMMPIXPASA-N 454.555 5.699 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3c[nH]c4cc(C)ccc34)CC2)cc1 511015857 SOZOKSWGKNFKRE-UHFFFAOYSA-N 454.574 5.612 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)c2)c1 511519439 HVQYGKUEEZLMST-UHFFFAOYSA-N 481.487 5.459 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)c4ccc(Br)o4)c3)c2C#N)C1 514449978 FLYXUQPYNGSGNY-GFCCVEGCSA-N 484.375 5.605 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 515520458 DSJBOEJRKNSNOL-HXUWFJFHSA-N 470.573 5.058 30 20 JKED N#CCCCOc1cccc(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)c1 515660848 KNLDSNMDRGXKQQ-HSZRJFAPSA-N 468.513 5.498 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)C(=O)Nc4cccc(OCc5cccc(C#N)c5)c4)CC3)c[nH]c2c1 516044178 YEYDDNWAOVDVIY-UHFFFAOYSA-N 490.563 5.181 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C 517909496 IMMXRLOUQOROBI-BTYIYWSLSA-N 456.409 5.501 30 20 JKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[nH]c2c1 519934926 GDRLKPZFMARWKN-AREMUKBSSA-N 465.557 5.885 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1C 519943653 IRACHGOGOAIRIV-UHFFFAOYSA-N 493.567 5.350 30 20 JKED COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n[nH]1 521719815 MNMJXJPNNYUUAW-ZDUSSCGKSA-N 474.011 5.116 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2I)cc1Cl 523378867 IGVAYJNOUMTJIL-GOSISDBHSA-N 490.703 5.991 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 524675730 PTLQPVQXYQKZKU-SFHVURJKSA-N 481.927 5.667 30 20 JKED N#Cc1ccccc1N1CCCN(Cc2nc(O)c3c(-c4ccccc4Cl)csc3n2)CC1 578555925 ZODOLSWBZBKWMR-UHFFFAOYSA-N 476.005 5.301 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 587988686 GBMXHPHKWGPKCZ-JTQLQIEISA-N 465.428 6.207 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3C#N)n2C2CCCCC2)cc1OC 589938029 OVZREAURXHFPHU-UHFFFAOYSA-N 491.617 5.460 30 20 JKED Cc1ccccc1-n1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccnc1 589939058 NPVKDCOEXJUJCJ-UHFFFAOYSA-N 486.626 5.181 30 20 JKED CCOC(=O)c1sc(NC(=O)COc2ccc3ccccc3c2Br)c(C#N)c1C 594760960 ALMMLGWVQBKTAW-UHFFFAOYSA-N 473.348 5.038 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1Cl 603766786 YSCWULASESSFTR-VWLOTQADSA-N 453.929 6.222 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2ccc(F)c(Br)c2)cc1 604004705 KHFXTVGSXDQVOO-UHFFFAOYSA-N 453.311 5.414 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1Cl 604143417 WQMLBVJNOCASOU-AHKZPQOWSA-N 497.957 5.979 30 20 JKED Cc1cc(C)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)n2)c(C)c1 604525227 RBNPFJUOIMOIIG-UHFFFAOYSA-N 453.589 5.065 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc(OC)c1OC 609008884 WJFNWXWDNQNEIC-KRWDZBQOSA-N 456.951 5.397 30 20 JKED COc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1Br 609028597 HVRIEVCQLREYKJ-NRFANRHFSA-N 451.320 5.031 30 20 JKED COc1cc(OC)c2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c1OC 609164428 NZNREWPDIOMMDJ-LJQANCHMSA-N 475.932 5.755 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c2ccccc12 609371001 QSUTURXPEZQODG-GOSISDBHSA-N 470.623 6.279 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 609376488 AWGPAIUYQVDJLS-QGZVFWFLSA-N 457.530 6.652 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 609431042 KVWZMBASCZGBLR-KRWDZBQOSA-N 475.664 7.114 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 613908733 YTCAODWEYLSYMP-MRXNPFEDSA-N 474.989 5.147 30 20 JKED C=CCn1c(SCc2nc(O)c3cnn(C)c3n2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 614338570 SLVRUJQNJWIYMF-OAHLLOKOSA-N 495.678 5.018 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3CS(=O)(=O)c3ccccc3)n2)cc1 642281265 UHFRFVLNNRDGKU-HXUWFJFHSA-N 462.552 5.176 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCO[C@@H](c3ccccc3Br)C2)c1=S 725778530 LUCVZLGJWUKBAP-HXUWFJFHSA-N 489.414 5.200 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 726395731 BCFKKMSYZPONKD-YJYMSZOUSA-N 481.952 5.004 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C#N)c(Cl)c2)cc1 726407446 RRXGZDITYRTMOZ-HSZRJFAPSA-N 499.983 5.244 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCC(C)C)cc1F 726412810 UGKJKBHWKJQSGG-QFIPXVFZSA-N 485.581 5.043 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1Cc1cccs1)c1cccs1 726416833 TYJVVXZLKVWYQD-KAVHPSCTSA-N 498.699 5.466 30 20 JKED C#Cc1cccc(N/C(S)=C(C(/O)=C2/N=C(C)C(C(C)=O)=C2C)\[n+]2ccc3c(c2)CCCC3)c1 726572438 FGWPALIAYQTITL-UHFFFAOYSA-O 470.618 5.152 30 20 JKED Cc1nc(SCC(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)c(C#N)c(C)c1C 726636493 VYSBTBKJKNGKME-UHFFFAOYSA-N 463.346 5.071 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccc(OC)nc2)cc1 726960009 BMEJKBJJXXGTSY-UHFFFAOYSA-O 491.637 5.060 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc(Cl)nc1)c1ccc2c(c1)OCO2 727068412 GEZYAPFBFUHTKU-UHFFFAOYSA-N 453.951 5.432 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)cc1 728775864 DOADYSDGTBHNPM-QFIPXVFZSA-N 478.618 5.356 30 20 JKED COc1cccc([C@H](C#N)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1OC 729430419 WGIXCAXKMHRLMW-QHCPKHFHSA-N 457.505 5.305 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1cccc(C(C)C)c1 729670685 UUDFXUYDAIAXNY-UHFFFAOYSA-O 451.568 5.090 30 20 JKED COc1ccccc1NC(=O)C[C@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O 730461975 JPGDQHICZOMTLL-IGONPIQHSA-N 491.535 5.095 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O[C@@H](C)C2 730689930 MXGHVMBHVHAACM-FRJURHEUSA-N 486.515 6.017 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c(C)c1 730714001 VMEAUWGBUTVFSE-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1csc(SCc2c(C(=O)Nc3ccccc3SC[C@H](C)C#N)oc3ccccc23)n1 730989135 HSOXTNOQXXPXQO-OAHLLOKOSA-N 479.652 6.994 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1Cl 731305891 PTALEFWDRCMFSV-IBGZPJMESA-N 491.400 5.353 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@@H](C)c2cccs2)s1 731311478 CLVZVRJUYMQKCT-QDKFNBQJSA-N 485.656 5.414 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccc(C)n2)c1 743525517 QSFDXMNEZXDQDD-QFIPXVFZSA-N 480.540 5.137 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1 747602268 ZEUPXWQMAILUKG-OAQYLSRUSA-N 499.061 5.882 30 20 JKED CC(C)n1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccc(Cl)cc1Cl 771713770 PWBXASBIIOMGHV-UHFFFAOYSA-N 485.400 5.359 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(CC(F)(F)F)C2=O)cc1Cl 799219005 JLQCGXFLCZVGAV-KRWDZBQOSA-N 485.915 5.180 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)c([N+](=O)[O-])c1 837301661 CWIJVPQQIYWTRD-FQEVSTJZSA-N 498.561 5.264 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)CCc3ccco3)C2=O)cc1 837520484 HUACHGHTASWZKB-MHECFPHRSA-N 489.597 5.464 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccccn2)cc1 838061370 NIHUEIPGIHECJE-NRFANRHFSA-N 498.967 5.043 30 20 JKED CCOc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 914542994 DOGMAOQQFLDZEX-HSZRJFAPSA-N 488.613 5.258 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cc1OC 914611868 NQDWBISQAFUVQC-XFFZJAGNSA-N 483.615 5.041 30 20 JKED Cc1csc(SCc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)n1 915088421 QHCFDLXPENSNDA-XMMPIXPASA-N 455.608 6.652 30 20 JKED N#C[C@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 915102033 PWBSDVKVVWNZTA-QGZVFWFLSA-N 456.976 5.714 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1F 916205729 LDQFVUDATLTEEZ-NRFANRHFSA-N 469.488 5.264 30 20 JKED COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2cccc(OCC#N)c2)CCC(=O)N1c1ccc(C)cc1 916410989 LOVJWHCKJHLJEZ-RPLLCQBOSA-N 469.541 5.029 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1 916885018 KMJZABQNPQYENI-PUUJXSFGSA-N 460.761 5.738 30 20 JKED CC(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2cnn(C(C)C)c2n1 916904841 JNGGGFCTDHOSTE-NRFANRHFSA-N 481.556 5.889 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)O[C@@H](C)C2 916911281 WXBZXDGGITURNF-RCTWXHKBSA-N 482.536 5.562 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 916915485 KNDXJWSSTKGDBL-OAQYLSRUSA-N 477.561 5.752 30 20 JKED N#C[C@@H](C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 917044404 SVXXEQGFAJWYGY-AWEZNQCLSA-N 484.908 5.151 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)Cc2ccsc2)c1 918391369 FOEAFCRJEVTBFJ-KRWDZBQOSA-N 475.035 5.144 30 20 JKED CN(Cc1csc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918545723 SLUSSKOIBMSZFU-RWEWTDSWSA-N 484.647 5.158 30 20 JKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(I)cc3)cs2)cc1 920064696 JGBFNBGIKPWVHZ-WDZFZDKYSA-N 477.323 5.231 30 20 JKED N#C[C@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111130 RODDAVAHHGWKQQ-GOSISDBHSA-N 475.372 6.181 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 920111844 QXNPTPHYVYWRFZ-IBGZPJMESA-N 489.890 5.368 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2nnn(-c3cccc(Cl)c3)c2C)cs1)c1ccc(F)cc1F 920389843 OKAXEUUOWFPNFF-CLFYSBASSA-N 499.930 5.545 30 20 JKED C=C(Br)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 920986383 GGFPWWVLQLZAGY-HXUWFJFHSA-N 497.418 5.044 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1786240595 BPZWPEYCQJPLRZ-NZQKXSOJSA-N 481.637 5.008 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5ncccc5c4)cc3)CCC2)c1 1786556748 FROQZESIRDFTGS-UHFFFAOYSA-N 490.563 5.105 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3sc(-c4ccccn4)nc3C)CCC2)cc1 1786678310 NVTYSFUKODDGGZ-UHFFFAOYSA-N 478.643 5.180 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(OC)c3)CCC2)cc1 1786678371 PSHBUNLHMRGNMY-UHFFFAOYSA-N 487.625 5.424 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccsc4)cc3)CCC2)c1 1786944807 OXMOZQHSCQKOSX-FPYGCLRLSA-N 457.555 5.089 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)cc2)CCC1 1789295579 ZZMUEFKHDJGRMY-NRFANRHFSA-N 496.533 5.869 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)CCC2)cc1 1789449508 TTZLFYVRRHDVQI-NRFANRHFSA-N 469.626 5.192 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)cc2)CCC1 1789987871 NLJIQWJXGKGQML-QFIPXVFZSA-N 491.591 5.392 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)OCc4ccccc4)[C@H]3C)cc2)CCC1 1790482814 UWIYRUOWSZSRJJ-SQJMNOBHSA-N 489.616 5.134 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1790512755 AKFCMIUEXXUNEQ-UHFFFAOYSA-N 491.975 5.145 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C(F)(F)F)cc3)CCC2)cc1 1790564972 VWZAPLQQOZQDPH-KRWDZBQOSA-N 475.511 5.183 30 20 JKED CC(=O)Nc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)ccc1C 1790707455 LFYPBCDAZPIRCU-UHFFFAOYSA-N 480.568 5.081 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c(Cl)cccc45)cc3)CCC2)cc1 1790844680 BONRCXBOXZRUOR-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccc(F)cn34)cc2)CCC1 1790882251 YAYZLVRGTJKDSD-UHFFFAOYSA-N 462.569 5.522 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C(F)(F)c4ccco4)cc3)CCC2)c1 1791080372 FPVJBGZNHPTJPA-KRWDZBQOSA-N 463.484 5.446 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COCc3ccc(OC)cc3)cc2)CCC1 1791687201 RZLZIAQDLIHOCE-VWLOTQADSA-N 462.590 5.114 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C5CC5)on4)CCC3)cc2)c1 1792123358 VZTAMIBZCDHKNH-KRWDZBQOSA-N 454.530 5.241 30 20 JKED COc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792124444 ZEDABVCZUFDNCW-GOSISDBHSA-N 471.532 5.523 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(OC)c4)CCC3)cc2)c1 1792148992 HQHIBELHJQIQCG-UHFFFAOYSA-N 489.959 5.290 30 20 JKED Cc1nscc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168233 BIOHGTJZVOODIR-UHFFFAOYSA-N 474.586 5.172 30 20 JKED C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)CC1(F)F 1792248779 WCYGVJGHXWVLBB-NRFANRHFSA-N 477.433 5.370 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ccccc3c2Cl)c1 1797463774 BFFKPMXXHMYJGP-QLIIJSOBSA-N 478.017 5.747 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1798593123 RXUVEUGDVZSSIT-WKCHPHFGSA-N 480.649 5.884 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)c1ccccc1n2CC 1799317208 VCQFSESCHVQPDP-ACDBMABISA-N 465.544 5.278 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 1801208775 NMYMDBMKOVJJCY-KQLYMOGASA-N 488.569 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1803124922 YQTNKUYLSCZTNS-OZXSUGGESA-N 465.613 5.242 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1803560999 BEFSLSINRLYPHK-RBISFHTESA-N 497.595 5.283 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803999369 DKPNMJCPDNXHFG-YCPOJYAPSA-N 497.561 5.588 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccncc4-c4ccccc4)CC3)C2)c1 1805329186 QQOXVZLRVVSFCD-UHFFFAOYSA-N 492.623 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1808146525 UKHPRLUBVJJJJF-NOZRDPDXSA-N 489.660 5.497 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCC2)[C@H]1c1cccnc1)c1ccccc1 1808494071 XGHGBRDJKNJSMA-QNOZWJMKSA-N 469.629 5.031 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810454064 VULNURFECGETHA-KAYWLYCHSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1811997575 IMYLVVZAHYYSPU-QXATTWAWSA-N 460.405 5.229 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812514092 FKMMXZVVOWNGMX-DENIHFKCSA-N 487.978 5.074 30 20 JKED CC1(C)CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)[C@H]2c2cccnc2)C1 1813128620 IRASZJLCKBMPBM-PXJZQJOASA-N 491.635 5.237 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1813937718 JBUKRNIIDUAZTN-JTSKRJEESA-N 475.967 5.325 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)[nH]n2)cc1 1814381408 PQRRUTZIGSAPOW-VWLOTQADSA-N 481.600 5.028 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cc(Cl)ccn23)[nH]n1 1814442757 YNTCHTFRYHZZFL-GOSISDBHSA-N 468.989 5.009 30 20 JKED CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CCCC1 1814531389 MLQPSRPJTOFCKA-LJQANCHMSA-N 473.499 5.186 30 20 JKED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccc(Cl)cc1 1814657595 GVIGDZQCZNIHTL-XUBBYMEQSA-N 497.020 5.360 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)n[nH]2)c(Cl)c1 1814721239 XJOVBOSXLDIOGQ-ZRCGQRJVSA-N 491.954 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccc(F)cc2F)n[nH]1 1815147394 JUAIDZOYKDKBMK-LJQANCHMSA-N 476.593 5.465 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1)c1ccc(O)cc1 1815573291 RTCOYQQHIKBEDQ-NQIIRXRSSA-N 490.526 5.037 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1 1818919766 HSEFFOPMKNJBBN-UZLBHIALSA-N 485.426 5.108 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(Br)cc23)n[nH]1 1818934125 CLHKEAQWCCINIM-BTYIYWSLSA-N 498.425 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)Sc2ccccc2)[nH]n1 1819302426 DVSQIIZPEMPHBV-CZTZKLFOSA-N 452.624 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Cn3ccnc3)cc2)[nH]n1 1819303397 HPBWOCDXSBUJBD-FDYGDTCYSA-N 498.631 5.128 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819385588 VGOPDFHKPAPJSP-FQEVSTJZSA-N 483.689 5.016 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819387036 VPEGZXRJAJBLSG-FQEVSTJZSA-N 497.741 5.274 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)n[nH]1 1819409974 GQUGYHOJFDPIPM-JFTIXFDTSA-N 462.619 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)[nH]n1 1819554180 JLDBDZLROJQNQY-HNNXBMFYSA-N 467.492 5.023 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c4ccccc4n4ccsc34)n[nH]2)C1 1820100938 DVNXGJCZFSANOF-HXUWFJFHSA-N 459.575 5.149 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)n[nH]1 1821240135 XVVGPOXXGZMKLA-UUOWRZLLSA-N 482.588 5.471 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)ccn1 1821277933 BCPOULVBUCMGIC-NRFANRHFSA-N 490.995 5.247 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc4ccc(Cl)cc4c3)n[nH]2)cc1 1821426159 YDDYAEKTKVUABZ-XMMPIXPASA-N 498.974 5.032 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821522616 KIPJMTXHWGDMIY-OAQYLSRUSA-N 489.601 5.376 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1821988028 ZWHLYBCYJQMYAX-QGZVFWFLSA-N 458.534 5.450 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1822580059 RFGJONQJKDXOBK-OAQYLSRUSA-N 478.980 5.823 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823214723 IWAUUXLFHVCIOW-FONVQFNRSA-N 499.640 5.957 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)[nH]n2)c1 1823218178 YXANJKJYJXRJCX-RCDICMHDSA-N 481.478 5.074 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1ccc(C(F)(F)F)cc1F 1823294406 NYOPUFCEWKUACG-OAHLLOKOSA-N 492.395 5.216 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1F 1823906400 ZTQLRXFGWCVLFF-JOCHJYFZSA-N 467.972 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1824143670 QYWPFRBJXMCYNR-XMMPIXPASA-N 466.622 5.003 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1824502044 SLUKVTGUAJGXGT-JOCHJYFZSA-N 489.081 5.771 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824541927 NCRKFBNTDAARRU-BVAGGSTKSA-N 478.658 5.774 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826520394 LYTLIAXMQVHBKW-RUZDIDTESA-N 484.782 5.450 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)c1 1826570103 XSHBBHFOXHEVGV-SANMLTNESA-N 494.035 5.086 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1)C(F)(F)F 1827515801 KFMQWJDNKDXSOU-OAQYLSRUSA-N 478.555 5.142 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827855305 ZTHQHILCIVUHKK-HXUWFJFHSA-N 468.560 5.833 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3c(c2)CCCO3)CC1 1828448456 GBIGTXWBGFHAJR-RUZDIDTESA-N 466.666 5.166 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1828779480 ZTHUQXMDXGDDOA-XXBNENTESA-N 481.687 5.228 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1828821410 MZYKDYJSSMIQKP-FGZHOGPDSA-N 477.571 5.031 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 1828903987 QNQIETGSMWXAKX-AOYPEHQESA-N 470.705 5.368 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1828906381 JHFRGYCTPRNCLB-DEOSSOPVSA-N 495.765 5.581 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2)CC1 1828907126 VEWTUPBTMWDXMS-DEOSSOPVSA-N 456.678 5.110 30 20 JKED CCCCCc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=N/N3CCCCC3)CC2)cc1 1828918476 NMLMYHVVRAYLMM-LLJYRHCUSA-N 494.724 5.053 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nn2C(F)F)CC1)c1ccccc1 1829032656 PTCSMMSNQKIOQQ-ZEQRLZLVSA-N 496.602 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C)cc2C(F)(F)F)CC1 1829066880 YRDQMDWSAALWQO-NRFANRHFSA-N 467.576 5.270 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576543 CVCHIYGZGPQDML-IIBYNOLFSA-N 467.660 5.001 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c1Cl 1829685435 GMHFNKQEBPFQQM-CCDWMCETSA-N 494.010 5.388 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830015278 BEQXIUVSEXBFIY-RUZDIDTESA-N 475.658 5.201 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC=C(C)C)CC1 1830257300 MJZBJVUPZCEEBJ-ZEQRLZLVSA-N 489.701 5.212 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(C)cccc3Cl)CC2)c(C#N)c1 1830595989 RNKWIGCHKMSDRZ-VWLOTQADSA-N 494.035 5.005 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1830606633 RSGGGIBWEAUTLS-DEOSSOPVSA-N 480.008 5.157 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830607916 KPEVRCLTRFAQEI-WNCULLNHSA-N 492.664 5.128 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1 1830633166 GGNWVFABBYSEPE-VWLOTQADSA-N 497.561 5.247 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)CC1 1830687475 RUTLRQLMEAMNLJ-DEOSSOPVSA-N 498.465 5.322 30 20 JKED CCOc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830722232 GGUBUIIBAWJNFS-DEOSSOPVSA-N 480.008 5.157 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1830769031 GFJJAKKANSWEQJ-AREMUKBSSA-N 472.564 5.034 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3cc2O)CC1 1830992697 RHTJQXZAHVWNNX-QFIPXVFZSA-N 485.422 5.117 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831018686 YFMDPRZBUZFDFU-GOTSBHOMSA-N 474.070 5.076 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1831288006 RBBSXWLNZXLGPC-SANMLTNESA-N 490.047 5.106 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1)C(F)(F)F 1831752859 VFRFCYXMZPHPQE-VXKWHMMOSA-N 468.535 5.304 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1831848716 KZHNVZQRQUOLKD-AREMUKBSSA-N 457.618 5.094 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831851570 KTZVTXPRZVSWEM-XMMPIXPASA-N 473.642 5.486 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 1831859205 HOAAGNFLECBWSE-LJQANCHMSA-N 487.360 5.277 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1832028669 UKQTWEAFTQJQTM-QHCPKHFHSA-N 498.465 5.357 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1832632030 ZSVHHRARJLWIPF-MNNSJKJDSA-N 496.655 5.661 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CC(c4ccccc4)(C2)C3)CC1 1832986937 DAARPVYRUUPACK-RBRCFPEQSA-N 460.662 5.496 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1 1838112650 FXQLWEMCHJDLGC-UHFFFAOYSA-N 497.035 5.406 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1CSc1nc2ccccc2o1 9556042 WDASVNDWHXXDNT-UHFFFAOYSA-N 477.929 5.441 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)cc1 10173891 DGZTUTMRCJIVRY-UHFFFAOYSA-O 467.561 5.581 30 20 JKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccccc1 10711284 YCLCCXIJACOCMT-DEOSSOPVSA-N 487.581 5.406 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1Cl)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1F 10826930 UTEFUMSBQOQOIS-UHFFFAOYSA-O 493.986 6.547 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)nnc1-c1ccccc1 11056002 DUUKSTDEJJFTOV-LJQANCHMSA-N 491.667 5.724 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl 11149417 NMORQQXUVLPRJY-CQSZACIVSA-N 477.417 5.416 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1cccc(CO)c1 14871891 SHUHDKSGHWIQRF-UHFFFAOYSA-O 460.406 5.387 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 16169191 KOGGLGFQLHXWAX-UHFFFAOYSA-N 487.459 5.304 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 21065969 AXLWAKRWQDJYRE-UHFFFAOYSA-N 450.567 5.492 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccccc2CC)cc1 22730983 JLZHUTBHLIJHCL-UHFFFAOYSA-O 468.440 5.912 30 20 JKED COc1ccc(-n2c(SCC(=O)N(CC#N)c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 23427054 QTLHPIGDUFMIGC-UHFFFAOYSA-N 489.988 5.245 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1=S 23851957 XPSUJVOIWLXHDK-NRFANRHFSA-N 484.597 5.130 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)(C)C)cc2)cc1C 28778670 FMXJPTULVZUVRK-UHFFFAOYSA-O 462.595 5.848 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 32291717 WOMINQRYYANREO-UHFFFAOYSA-N 497.576 5.499 30 20 JKED C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 36209633 RFVKFEBYBSTIDW-UHFFFAOYSA-N 498.637 5.842 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2sccc2c1=O 36800652 WLGOOLFIPMSMBF-SECBINFHSA-N 474.822 5.724 30 20 JKED C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)c1nc(-c2ccccc2)cs1 106060656 BDDJEBWRUWYITF-UHFFFAOYSA-N 453.567 6.204 30 20 JKED Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 106115803 MVOJSWHGWFKMFA-RBUKOAKNSA-N 466.545 5.504 30 20 JKED C=CCn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 107917464 VZCIZTZBNKEACT-UHFFFAOYSA-N 454.770 5.217 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc3nc(Cl)ccc3c2)n(Cc2ccccc2)c1C 108761662 HSWNYCMSOPDDAT-UHFFFAOYSA-N 472.932 5.022 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1 108940875 DZHCBDSSFRYQJB-UHFFFAOYSA-N 481.531 5.514 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3oc4ccccc4c3CSc3ccc(F)cc3)CC2)nc1 195709970 QZKYMIQLHWJIOT-UHFFFAOYSA-N 472.545 5.093 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(Nc3ccccc3F)s2)sc2c1CCCC2 247713104 LFVFDMKMVOGBQE-UHFFFAOYSA-N 459.597 5.354 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccco1 255001567 WFYAGVJQJKVICV-HXUWFJFHSA-N 455.486 5.027 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1C 303174625 JIWJGDSLDGTSMA-UHFFFAOYSA-N 484.600 5.108 30 20 JKED CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481651947 AXTNWKPZPHJAQB-UHFFFAOYSA-N 474.536 5.128 30 20 JKED CCN(CCc1cccs1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 486570735 AQARFDFKKHHXBI-OAQYLSRUSA-N 451.979 5.087 30 20 JKED COc1ccc(C(=O)CCCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487452449 XEUXDTYKEIEBEB-UHFFFAOYSA-N 487.503 5.625 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)nnc2-c2ccncc2)cc1 498104885 GAXXFBGJBIBUFN-LJQANCHMSA-N 486.576 5.204 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 508276967 XZMBVAKCCOXPOY-UHFFFAOYSA-N 490.947 5.002 30 20 JKED C[C@H](Cc1ccc(Br)cc1)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510209807 HBOMGXYSJGMLGB-CYBMUJFWSA-N 488.436 5.217 30 20 JKED CCOc1ccccc1N1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 511405178 PEVFFPKNCCGUKR-UHFFFAOYSA-N 470.573 5.084 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513158924 DNMHUSLCFQBWMK-MRXNPFEDSA-N 474.895 6.012 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1NC(=O)c1ccc(Br)cc1 513681841 KPTDIMAIQIXAAN-IBGZPJMESA-N 487.357 5.387 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 513833017 UOPZUMDJUUJPML-UHFFFAOYSA-N 454.448 5.146 30 20 JKED CC(C)[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc2ccccc2[nH]1 514080142 OASMSXSKNLUCHY-RUZDIDTESA-N 455.537 5.683 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)n1 515195648 LTOSIZAIHDHUPX-UHFFFAOYSA-N 457.515 5.290 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 518143352 GQDJKPXPNFSNHS-IBGZPJMESA-N 499.702 5.275 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)s1 519442650 SZTZSKPIUQELTA-IBGZPJMESA-N 491.682 6.351 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OCc1ccncc1 519988513 WSLMGMUQCJKDFU-HXUWFJFHSA-N 494.551 6.216 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 520487669 GJNQPOKNXDTQRT-UHFFFAOYSA-N 473.520 6.548 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 521755691 DSYFKKUJADUJAD-UHFFFAOYSA-N 480.659 5.065 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)n1 524456637 DICUGRJAXXQLFI-UHFFFAOYSA-N 469.535 5.100 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Cl)cc1 561407974 KMENXNOKNGJNRT-HSZRJFAPSA-N 457.921 5.649 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3nc(-c4ccc(F)cc4)cs3)s2)cc1 573826138 OLGXOQYFVYXKSC-UHFFFAOYSA-N 467.576 5.146 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 588348928 HXLRBSRYSGTLKR-QGZVFWFLSA-N 461.449 5.622 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCO[C@H](c2ccccc2F)C1 589709813 HSKGOMBJGJLEDE-SFHVURJKSA-N 496.379 5.313 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)ccc2NC(C)=O)nnc1-c1ccc(Cl)cc1Cl 589922248 KWCFXNOOXDBZRE-UHFFFAOYSA-N 490.416 5.436 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 597226192 IVTAVIXPIWVQTB-IBGZPJMESA-N 483.572 5.772 30 20 JKED CCn1ncc2c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc(-c3ccccc3)nc21 603627120 SNRPQETYBUMQEK-UHFFFAOYSA-N 460.497 5.429 30 20 JKED COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603673264 VAEICVOEBWUKDR-JOCHJYFZSA-N 494.016 5.102 30 20 JKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)c1 603775888 VCIFQDGLTNZNBJ-UHFFFAOYSA-N 461.572 5.181 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 603836603 LYPXUPJJCPJZPH-HXUWFJFHSA-N 488.590 6.281 30 20 JKED Cc1nc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)sc1SCC#N 603909296 DHLUCQRVBRZNMX-OAHLLOKOSA-N 471.435 5.157 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 604128350 VNADYUUSECAHPC-UHFFFAOYSA-N 496.398 5.352 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604464204 KDTHUGXYKRLZJZ-QGZVFWFLSA-N 482.565 5.598 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 608784953 KCZXRSZSZBMLIS-UHFFFAOYSA-N 498.558 6.222 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccc(CSc4cc(Cl)ccc4Cl)cc3)CC2)nc1 608951375 JARLGLSGKRALTN-UHFFFAOYSA-N 497.451 5.951 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc(OC)c1OC 609007043 CBBBZABKPZGHAU-MRXNPFEDSA-N 477.369 5.742 30 20 JKED N#C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)c1ccc(OCc2ccccc2)cc1 609027700 DLZDXTYEYQNGFC-VWLOTQADSA-N 453.567 5.236 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(I)cc(C(F)(F)F)c2)c1 609066508 HTRDONJCLIBFDR-UHFFFAOYSA-N 482.146 5.035 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 609072729 YBRXYCTYMRFJML-HHHXNRCGSA-N 491.547 5.245 30 20 JKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 609096906 QPRPDLXBMBKMLI-OAQYLSRUSA-N 481.503 5.104 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)cc2F)c1 609172827 IPOTXHLKDCGZTH-UHFFFAOYSA-N 481.483 5.420 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 609377544 XYOCWUZRKBUOCZ-UGSOOPFHSA-N 491.400 5.089 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 609427878 ZNBYSAAFDOZVJT-SFHVURJKSA-N 465.600 5.158 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)nnc1-c1cccnc1 639480083 BNLOZDSCEUHWJP-SFHVURJKSA-N 461.513 5.300 30 20 JKED O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643049269 FDNAIHHGWQNSJX-RUYXUALKSA-N 482.424 5.051 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)cc(C)nc21 725962304 WXNRNZANUXUJPA-QGZVFWFLSA-N 490.608 5.301 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(C[C@H]2CCCO2)C1=O 726418743 FJVPSQYLJOZESQ-MCUXHRDPSA-N 492.066 5.279 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc3c(c2)CCCC3)cc1 726569736 JGIKETVSOJLPAV-UHFFFAOYSA-O 486.661 5.657 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC2CCC2)cn1 726891169 NJCFKFZWSWKOAK-KRWDZBQOSA-N 493.416 5.157 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@H](C)c2cccs2)c1C 727252017 NRJMJZFYFVVXHO-NSJWOJMJSA-N 495.674 5.171 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c1 727650865 WBQLCEWRCMGDMZ-VWLOTQADSA-N 498.608 5.312 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)NCCc2cccs2)cc1 727813985 PMXPVGWJEKHHNC-UHFFFAOYSA-O 480.679 5.048 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@H]3c3ccccc3C(F)(F)F)nc12 728050278 RFGJAPBGXOXBRF-IBGZPJMESA-N 485.535 5.180 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CCCCC#N 728780427 SWUWGYLPFVIDFK-HXUWFJFHSA-N 488.972 5.142 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)c(Cl)cc3OC)C(=O)N2C2CCC2)cc1 730460520 AAAOBNWJANPBHR-NRFANRHFSA-N 488.009 5.178 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cocn3)C2=O)cc1 730710769 RMUBSHTUMKWYCJ-QFIPXVFZSA-N 492.601 5.241 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1F 730720415 KAERUIBFKPUKLJ-REWPJTCUSA-N 495.555 5.112 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943826 LCJRZYJDYCXTGK-JTSKRJEESA-N 462.550 5.251 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H](C)c1cccnc1 730945044 LFSVJPKCNVZMLP-KSFYIVLOSA-N 495.004 5.465 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 731198536 LJXHCBLERMWHAC-YFQSIASUSA-N 483.684 5.408 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(Cl)cc2)c1 731305359 KAAZZVHKZUHOQU-JOCHJYFZSA-N 495.988 5.215 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(O)c1 731308376 ZOMMTVODCOZLAQ-NRFANRHFSA-N 483.952 5.345 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)cc1OC 743956591 ORIAEPOZXBXUMJ-LUAWRHEFSA-N 488.550 5.415 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cs1 747018761 VKILGEYBIKYVFP-HNNXBMFYSA-N 459.499 5.095 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCCOC2CCCC2)C1=O)Nc1ccccc1 747044742 XUZOYRKHDCMYDP-JOCHJYFZSA-N 469.582 5.135 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc(C(F)(F)F)cc3)o2)ccc1S(C)(=O)=O 747062067 SJAGRCGRZLMPEY-NTMALXAHSA-N 450.434 5.274 30 20 JKED N#Cc1ccccc1N1CCC(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 747337196 YXTHZOUIEWVBQS-UHFFFAOYSA-N 467.598 5.126 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2C)n1 748036885 UMHJXUVROBHHPZ-QHCPKHFHSA-N 488.613 5.176 30 20 JKED CC(C)c1ccc(-c2nc(CC(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cs2)cc1 768362960 REIPBVVYZYLUGE-UHFFFAOYSA-N 471.582 5.770 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 775387745 INIMSRUSEMVFDE-SFHVURJKSA-N 469.497 5.079 30 20 JKED N#Cc1cccnc1N1CCN(Cn2nc(SCc3cccc4ccccc34)sc2=S)CC1 798229187 FVQRPHXZJCTWNI-UHFFFAOYSA-N 490.683 5.166 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cccc4ccccc34)nc(O)c2C#N)cc1 824942427 ZTKNZKUODYIFIX-OAHLLOKOSA-N 456.527 5.002 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3ccccn3)C2=O)cc1 837301282 IJVNOTWIFVIEMD-YADARESESA-N 488.613 5.510 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N([C@H](C)c2cccnc2)C1=O 837449554 SHKLGQRPAGXQFK-NTKDMRAZSA-N 488.613 5.429 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C2CCN(C(C)C)CC2)C1=O 837517031 FPLNSYIRCZJZBV-QHCPKHFHSA-N 499.080 5.482 30 20 JKED C=CCc1ccc(OC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)c(OC)c1 875120571 ZXRWTTNGILZBFF-UHFFFAOYSA-N 470.616 5.242 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1 900680121 YKBLFQMHXUTEHG-FQEVSTJZSA-N 472.516 5.166 30 20 JKED N#CCSc1ccccc1C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 914609053 HWSWAGBDBLTQME-UHFFFAOYSA-N 451.592 5.128 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1ccc(-c2cccc(Cl)c2)s1 914693814 PMVXKFRISMNKTP-UHFFFAOYSA-N 458.952 5.287 30 20 JKED C#CCOc1ccc(Br)cc1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914795825 CPURQWAOGGJGCY-NHAGDIPZSA-N 458.240 5.460 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 915087911 XZOALKBPCUSJEQ-JOCHJYFZSA-N 476.363 6.875 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2ccccc2)cs1 915102571 YFSHLIVGPUMNBX-GOTSBHOMSA-N 451.551 5.548 30 20 JKED C[C@@H](OC(=O)Cc1csc(Cc2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 915452254 VWSUQVJEVJJNCW-MRXNPFEDSA-N 479.627 5.049 30 20 JKED COc1cccc(-c2nc(/C=C\C(=O)c3ccc(OCC(=O)Nc4ccccc4)cc3)cs2)c1 916127918 OAJVDVURLUKEPY-QINSGFPZSA-N 470.550 5.732 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1cccc(C(F)(F)F)c1 916205531 PIUAPZFWUVDFJS-HXUWFJFHSA-N 484.503 5.261 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(OC)c2)cc1 916206966 WAZJULHTALQTNB-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(C[C@@H]3CCCO3)C2=O)c1 916208119 UJLSDELKNWNKOW-REWPJTCUSA-N 465.619 5.060 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916209167 GFHHETNJYYIAHV-QGZVFWFLSA-N 467.900 5.482 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccco2)C1=O)Nc1ccccc1F 916217431 NCJBCDUKVVNADF-QHCPKHFHSA-N 473.529 5.732 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 916906625 IHUNCARGBFZUOU-FQEVSTJZSA-N 464.953 5.185 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907352 YBCSAMCLHKSWNM-QFIPXVFZSA-N 485.540 5.465 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1Cl 916938482 APSXUEILGLNZJD-KRWDZBQOSA-N 471.991 5.367 30 20 JKED N#C[C@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 916967757 XSSUYUZDNLJCTK-PXDATVDWSA-N 492.984 5.281 30 20 JKED COc1ccc2c(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)coc2c1 916997094 QPOCXIQFAREVEM-KRWDZBQOSA-N 457.338 6.291 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl 917525148 NRFFVWITFWFONR-UHFFFAOYSA-N 491.034 5.064 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 917680097 BZJGCPOURDEBCI-GAJHUEQPSA-N 491.592 5.008 30 20 JKED CC(C)CNC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 918052368 DQFMZDBXTSBDMP-UHFFFAOYSA-N 454.958 5.020 30 20 JKED C=CCN(C(=O)c1ccccc1OCC#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 919979223 VIHWBNXQLJOBDX-UHFFFAOYSA-N 451.551 6.212 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc2cc(Cl)ccc2s1 920113348 VURHOQOXVXBNMH-IBGZPJMESA-N 485.952 6.367 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1 920138301 DBASWGJDRXUOMQ-HXUWFJFHSA-N 463.559 5.585 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1 1251233569 YTKTXEUYUBMZLU-UHFFFAOYSA-N 464.481 5.264 30 20 JKED CO[C@](C)(C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1cccc2ccccc12 1785815251 XNTBIRBSFWYZAJ-MHZLTWQESA-N 455.558 5.139 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CNc4ccccc4C3)CCC2)cc1 1786391691 QWVXMNYINALAKL-KBMIEXCESA-N 465.663 5.140 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1 1786394115 SPNMTDVXCQBCAU-JOCHJYFZSA-N 452.576 5.149 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4nc(C)oc4C(F)(F)F)cc3)CCC2)c1 1788615662 UILAKCDQQGTLDC-UHFFFAOYSA-N 482.462 5.243 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)CCC2)c1 1788896785 GORKTXANTODQOU-GOSISDBHSA-N 467.525 5.104 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5[nH]4)cc3)CCC2)c1Cl 1788918680 DMIRUGVHNYTFKZ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)ccc2n1 1789034323 FELMTACUUSWORF-UHFFFAOYSA-N 460.537 5.476 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cnc(-c5ccccc5)s4)cc3)CCC2)c1 1789880024 UWHPQDAQDZVKKC-UHFFFAOYSA-N 467.554 5.071 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)c1Cl 1790081691 CHLFDYUONAHURE-UHFFFAOYSA-N 471.935 5.785 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CCC2)cc1 1790511598 UQYYXKXSFJQVGF-NKKJXINNSA-N 466.622 5.236 30 20 JKED O=C(C#CC1(O)CCCCC1)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790591227 VFRNSOCLNHXHRS-UHFFFAOYSA-N 493.607 5.195 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)c12 1790920575 LVHLZDDNXCGIMM-UHFFFAOYSA-N 478.552 5.304 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)CCC2)cc1 1791250149 IMGXWKGZOMFNKU-INIZCTEOSA-N 470.495 5.313 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791252139 INUOAQWLZCGJTQ-HRFSGMKKSA-N 483.653 5.370 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3=CC(C)(C)N(C(=O)c4ccccc4)C3)cc2)CCC1 1791496310 CTGUMMFWSOAMAH-NRFANRHFSA-N 485.628 5.194 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)n3cccc3)cc2)CCC1 1791790527 QWEQIEKRRLLOLE-NFBKMPQASA-N 494.636 5.043 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)C[C@@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206641 LOZLSUNWTXLADS-CNDUHNDJSA-N 469.626 5.026 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2cccc(C(F)(F)F)c2)c(Cl)c1 1793937361 NNQNVSXMKZOQRT-YWRWEQHZSA-N 487.909 5.196 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1802503712 SGYXKPZUAXMFDO-UKILVPOCSA-N 489.660 5.497 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4c(c3)CCCC4=O)CC2)C1 1804858819 OITKJUOMISUPDJ-UHFFFAOYSA-N 450.623 5.043 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)C1 1804865567 YSSPXYWDBQEGRK-UHFFFAOYSA-N 459.634 5.586 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc4occc4c3)[C@@H]2c2cccnc2)c1 1809349859 SBCLDFBYQRTPFF-KAZGAHJFSA-N 478.552 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1810500252 NRJIQXVHNZJXMA-PZJWPPBQSA-N 451.592 5.201 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)CC1 1811368606 SPOLSFPAPLPYJS-PQHLUEJDSA-N 472.633 5.074 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1812592312 RZOPSPTUXMMNQO-JQXZYWDBSA-N 498.652 5.823 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@H]1c1cccnc1 1812787772 TVRASPMWFVUGPN-LSQOFAOZSA-N 451.655 5.462 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1813768583 OUGMPWMPZOFOBW-VPKVUBIPSA-N 460.405 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813967050 HRKXXGUZEMQBTJ-KNQAVFIVSA-N 491.529 5.552 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813971123 WKKFTESYVQBDQY-WZONZLPQSA-N 490.406 5.616 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1)c1ccc(Cl)cc1 1814940056 DFSQUWPFQWCPJP-IRLDBZIGSA-N 468.001 5.189 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(Br)ccc2F)n[nH]1 1815186712 HGLDNAZDOIPNKP-FOIQADDNSA-N 491.405 5.148 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1815214382 AHMXNMKUVFLRQF-DYESRHJHSA-N 487.560 5.048 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815684897 WMSFESLLYMTMJB-UWJYYQICSA-N 458.990 5.127 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)n[nH]2)c1 1816283256 QOKZVQUNVKNOAX-MGPUTAFESA-N 496.493 5.070 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)[nH]n1 1816461828 ARQWZQBQDVXSDO-JOCHJYFZSA-N 473.577 5.029 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817744971 JRBYJOGSKCFRRV-JOCHJYFZSA-N 475.618 5.005 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5c(Cl)cccc5s4)sc3C2)C1 1818571992 GOHPWWSUFAQQGG-ZDUSSCGKSA-N 458.008 5.203 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)sc2C1 1818907379 HRJHGXLZMTVKDJ-XJKSGUPXSA-N 469.010 5.091 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)[nH]n1)c1ccccc1 1819518023 DOQWXVNRJVJOKL-OFNKIYASSA-N 497.555 5.161 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)CC2 1819598053 RQLZLMCHINKSCJ-ZXAKCXJESA-N 490.673 5.202 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cccs3)[nH]n2)c1Cl 1820219317 QLKSAEDPLCAAGC-JBVUFVISSA-N 465.966 5.016 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1820973281 DYYLRZNDOCCCRV-DVECYGJZSA-N 489.576 5.309 30 20 JKED Cc1cc(F)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1821064355 ZXDFAJLEFMALLD-UZUQRXQVSA-N 459.525 5.104 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)[nH]n2)c(Cl)c1 1821274248 AACXNEAGVFPMOJ-APWZRJJASA-N 475.927 5.066 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)c2[nH]1 1821277667 FQJHRXMOHJQUNT-JOCHJYFZSA-N 486.963 5.344 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cnc4ccccc4c3)[nH]n2)c1 1821321155 BZAKSIOXSVBYAQ-SANMLTNESA-N 492.583 5.077 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821694488 PZYLQGRWRLQCIO-AZUAARDMSA-N 469.655 5.673 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1)C(F)(F)F 1821991697 ATHILUFZWXFVLW-AWEZNQCLSA-N 483.903 5.097 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1)c1ccc(F)cc1 1822288895 WDJNUAUJPUOBDS-ZCYQVOJMSA-N 473.552 5.166 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)[nH]n1)c1ccc(O)cc1 1822465466 SZZVTFGCQFQKMX-WPYKKVEZSA-N 498.574 5.130 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1822582000 FQICCUGFSFIBKP-JOCHJYFZSA-N 463.969 5.111 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)cc2n1 1823211461 GBFWGCSTTSQAOL-ZHRRBRCNSA-N 482.544 5.106 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)[nH]n2)c1 1823212080 QLFKIYPLJPSZBV-SIBVEZHUSA-N 492.583 5.134 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823309723 FEZHBSZRMJMQBT-SJORKVTESA-N 499.826 5.249 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823315741 SEXXBZVFXWQZJG-LJQANCHMSA-N 491.817 5.325 30 20 JKED CC1(C)CCC(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(CC#N)cc4)sc3C2)CC1 1823495711 SSIFLBPAJNUOJK-FQEVSTJZSA-N 464.635 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1823752343 CYOWZJIGNWWIPK-OAQYLSRUSA-N 471.045 5.394 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCC2)CC1 1823847270 DZMKYYZOHIIFJF-DHIUTWEWSA-N 489.701 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1824046122 GANLPKLWBMDBAZ-BWKNWUBXSA-N 454.655 5.411 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccc(F)cc2F)CC1 1824140013 VDMZMPNMIVEESR-QHCPKHFHSA-N 476.633 5.445 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)ccc2Cl)CC1 1824146530 ZRZHIRQKIOTLJI-XMMPIXPASA-N 459.030 5.350 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)CC2)c(Cl)c1 1824930085 JUSPTLXXKCMJHL-RUZDIDTESA-N 494.010 5.316 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827344282 PCHHCTQCQMUCSS-XMMPIXPASA-N 482.024 5.422 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1827520418 IADJTVLRMYOLHW-SANMLTNESA-N 485.628 5.127 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732735 LDFJCCMQHJCFCG-NRFANRHFSA-N 453.970 5.137 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828353056 FVPMNRQSKAKFCA-BKJWKRJESA-N 466.581 5.117 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc4c3CCCC4)CC2)c1 1828569266 GQFOVESDXCKTNN-DEOSSOPVSA-N 461.631 5.046 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cnccc34)CC2)c1Cl 1828656193 WKOPFGNNZBDOSO-RUZDIDTESA-N 487.003 5.307 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2cc(OC)ccc2OC)CC1 1828826798 CBASYJBKFGHJPS-SXOMAYOGSA-N 496.692 5.415 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1)c1ccccc1 1829030965 VRVCZUWTIFZRNZ-XNMGPUDCSA-N 460.618 5.327 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn3ccc(Cl)cc3n2)CC1 1829066858 XHFHHDIPNKQNDK-JOCHJYFZSA-N 471.045 5.213 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1829419650 WTHUMKVJBCSSML-DEOSSOPVSA-N 484.625 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829491994 ZJLNWAZXXHPEPB-MHZLTWQESA-N 473.661 5.974 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1Cl 1829689687 MWRQSKJZKOEQCW-HSZRJFAPSA-N 475.976 5.505 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1 1829775915 SRRDPLILHRCRSN-HHHXNRCGSA-N 498.627 5.130 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830486231 MMQGCNIQUPVXOR-QHCPKHFHSA-N 471.935 5.037 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)CC2)C1 1830535219 POJKLHRWHVITFB-HXUWFJFHSA-N 452.492 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830604074 KLHHSHAHPYNOCQ-VWNXMTODSA-N 473.057 5.740 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c(Cl)c1 1830720505 PPORGNKNRIPDSF-XMMPIXPASA-N 456.030 5.415 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1830780232 LMSVUBWOLJLRMR-CLJLJLNGSA-N 493.648 5.035 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830872819 IZIOGUSZANTLIH-PKTZIBPZSA-N 474.070 5.076 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830977973 LPVBMTYYEKBQBT-VWLOTQADSA-N 469.585 5.075 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cc(Br)ccc3c2)CC1 1831852253 YCUMRLHYUVHWKX-XMMPIXPASA-N 496.449 5.034 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1F 1832620451 DRVAYRYMWRLEKF-SANMLTNESA-N 479.571 5.011 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1832632459 REGJRXXHVLVPLU-WNCULLNHSA-N 491.752 5.598 30 20 JKED COc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832634147 IIZFWZPWWKCXBW-RBISFHTESA-N 487.644 5.188 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832635929 YZWXPFUJPRGLBP-SIBVEZHUSA-N 494.035 5.523 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832977314 BQAZLOSYCFOFGF-NVQXNPDNSA-N 474.979 5.057 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1835033731 NSRMOCSBHYHBIX-UHFFFAOYSA-N 497.083 5.083 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1835034956 TXSWWSYPOPAYNW-QFIPXVFZSA-N 497.083 5.083 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)C3(C)CCCCC3)CC2)CC1)c1ccccc1 1838417756 IBWDITNIFNQPMI-MHZLTWQESA-N 478.677 5.153 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)C1 1844009490 DFDAYJBTPODDRX-UHFFFAOYSA-N 489.614 5.055 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cccnc2SCc2ccccc2)C3)c1 1846828094 AATFKPPZZAHXCS-NRFANRHFSA-N 496.636 5.132 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C2)c1 1846899029 VJTCJXJTQSOORK-CQSZACIVSA-N 476.791 5.405 30 20 JKED C=CCn1c(SCC(=O)Nc2sccc2C#N)nc2scc(-c3ccc(C)cc3)c2c1=O 8649252 OOOIJNTUVAAYLX-UHFFFAOYSA-N 478.624 5.283 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179342 FOQNAIRDPYJKOP-UHFFFAOYSA-O 470.445 6.383 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c(C)n1C 11263319 MXBAGNFJHLHFMK-UHFFFAOYSA-O 460.667 5.983 30 20 JKED COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 14908395 HPOGCUZNGOPLFW-KCWPFWIISA-N 469.541 5.007 30 20 JKED O=C(C[C@@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1cccc(Cl)c1 15231799 BTSSYBMIDOQSFM-NRFANRHFSA-N 465.962 5.167 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1OC 15850474 ODISTFFBMUXRGG-CYBMUJFWSA-N 484.603 5.075 30 20 JKED C=CCNC(=O)[C@@H](C)Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 16830207 BFOASZMUWOXOME-CQSZACIVSA-N 450.951 5.388 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730697 UKZOOSFKLPMXOK-UHFFFAOYSA-O 493.696 6.591 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nnc1-c1cccc(C)c1 23635035 UOOSQUAWKVPJBF-UHFFFAOYSA-N 461.616 5.873 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1C 29145640 OCYGNPFKYHKWOH-IBGZPJMESA-N 497.068 5.199 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c3c(C)noc3n2)cc1 106116477 XTTYEPMOOHRQDO-UHFFFAOYSA-N 475.508 6.126 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F 106905892 KMOMIXFUAOUANX-UHFFFAOYSA-N 467.291 6.181 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 195549041 XHTXBQBBHDQQCZ-VWLOTQADSA-N 458.537 5.323 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ncc(Cc3ccccc3)s2)c1 215661318 WWXZIIXHKHSLQL-UHFFFAOYSA-N 484.606 5.589 30 20 JKED O=C(Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)c(C(F)(F)F)c1)c1ccc(F)cc1 482988204 PJPYYIACEWICES-UHFFFAOYSA-N 456.317 5.766 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 491218145 OFGMUYUMYSOETP-SFHVURJKSA-N 492.442 5.728 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(C(C)C)cc3)no2)nnc1[C@@H]1COc2ccccc2O1 494024515 YOMOXMARULREGS-NRFANRHFSA-N 475.574 5.442 30 20 JKED C=CCN(C(=O)c1oc2ccccc2c1CSc1nnc(C)s1)c1nc2c(s1)CCCC2 499312396 BZXQEVDAPYUNPV-UHFFFAOYSA-N 482.656 6.053 30 20 JKED Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)c1 502662147 UEGCYTHCTQNWDO-UHFFFAOYSA-N 454.530 5.542 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cs2)cc1 502747752 MBIWFSOASINEEC-KRWDZBQOSA-N 490.610 5.676 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)cc1 505620261 GQTNLCPPHVGKHW-MRXNPFEDSA-N 479.533 5.197 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)n2)cc1 505645019 DBFFLZHBUMUMNZ-UHFFFAOYSA-N 484.512 5.379 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1 508246798 GEHQXNLJNKRACB-UHFFFAOYSA-N 457.549 5.957 30 20 JKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508253842 UBSLECKZGACEOE-UHFFFAOYSA-N 458.518 5.419 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1 508276420 SZDLQQCYWCZXQU-HXUWFJFHSA-N 455.436 6.174 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1 508285222 ZVQXPJPNHFBDOP-UHFFFAOYSA-N 462.525 5.094 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)o1 511532901 OIQZPEOZIQYKSL-NIYFSFCBSA-N 483.568 5.178 30 20 JKED Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c(C)o1 511575472 RTFYMTGBOVCSIS-HSZRJFAPSA-N 476.964 5.195 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc(F)ccc3Br)c2)cc1 511587985 VXAGUQQIUUBGGQ-UHFFFAOYSA-N 468.326 5.555 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(OC(F)F)cc2)o1 514357537 SGONISPEDAXDTH-CYBMUJFWSA-N 451.520 5.095 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1Cl 517163599 MDXRQMZGUMNELV-UKILVPOCSA-N 472.976 5.473 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1cc(Cl)ccc1Cl 518148227 OTUJXVUTDKSYFH-AWEZNQCLSA-N 455.432 5.996 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 518653148 ULFNSPOBXMHHDA-KRWDZBQOSA-N 475.599 5.652 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)ccc1O 518722609 NNUUTZSPJUEXQP-UHFFFAOYSA-N 463.921 5.915 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 519515315 CDIDNTPRXFBNKL-CTNGQTDRSA-N 457.599 5.725 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2Cl)cc1 520405990 OQKZXRTVZUOVFH-UHFFFAOYSA-N 478.911 5.133 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)CSCc1ccc(C#N)cc1 520447697 BROPQVGPZYVGNN-UHFFFAOYSA-N 483.515 6.010 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 521326374 PARNURCGEKKBKB-DOTOQJQBSA-N 476.429 5.879 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1 522391929 BZCKPRXFTDBFEH-LJQANCHMSA-N 486.597 5.409 30 20 JKED CCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 523200532 CTGBFPNNMGBDAY-PGRDOPGGSA-N 452.986 5.156 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nnc(-c4ccccc4)o3)cc2Cl)c1 524389860 CQGCOTIGPALFSV-UHFFFAOYSA-N 458.905 5.412 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Br)cc3Br)o2)cc1 524422519 RYPGCCPNBJMJNN-UHFFFAOYSA-N 476.124 5.508 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(Cc2ccccc2)n1 553364594 UAJKAJVUZQXJTK-KRWDZBQOSA-N 453.658 6.000 30 20 JKED COc1ccc(CCNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F 586255238 VIPYQCHGKGCJAF-ITGUQSILSA-N 478.380 5.048 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CC)c2nc3ccccc3[nH]2)nnc1-c1ccc(Cl)cc1 589414431 PLDYSOWDWFWDTI-QGZVFWFLSA-N 466.998 5.020 30 20 JKED C=CCN(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 596339998 LCCXPYMDGDGXRA-KRWDZBQOSA-N 485.514 5.062 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 603759236 ZGFKFLPLKNSFHU-HSZRJFAPSA-N 482.005 5.277 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)c1C 603846251 IKSYAWJKQUAPST-FQEVSTJZSA-N 492.988 5.348 30 20 JKED CN(Cc1cccc(Br)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604085244 YWOJVPTYUPUPNS-UHFFFAOYSA-N 464.363 5.758 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccc3)cn2)cc1 604227080 OQCWQKDNRSYVNG-VWLOTQADSA-N 496.954 5.438 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1Cl 608994352 KPGHZSVQQDRWPZ-VWNXMTODSA-N 473.960 6.136 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)c2)cc1 609126143 UOHOSOLVAJLIEH-UHFFFAOYSA-N 451.526 5.048 30 20 JKED N#CCn1c(C(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cc2ccccc21 609171367 SDZJFBAMGMMLRA-MHZLTWQESA-N 468.988 5.366 30 20 JKED N#C[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc(OCc2ccccc2)cc1 609174036 FDQGSVBNCSXQAT-VWLOTQADSA-N 471.557 5.376 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609430059 IFRCCFLDDLTCJV-QHCPKHFHSA-N 460.405 5.049 30 20 JKED COc1ccc(Cc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)cc1 611198129 HILDVLXJFUMJKW-UHFFFAOYSA-N 479.606 5.195 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1nc2ccccc2n1C(F)F 613403919 LIGJLUGVSOVXEI-KRWDZBQOSA-N 460.419 5.037 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc2scc(-c3cccs3)c2c1=O 613827877 ZOQMQFBDDAVBNY-CYBMUJFWSA-N 499.605 5.266 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)c1nc2ccccc2s1 613908691 YCNKNUSYHXKTEV-UHFFFAOYSA-N 486.022 5.061 30 20 JKED C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 615325327 CDYBYUMYQPWSOH-LBPRGKRZSA-N 452.370 5.562 30 20 JKED CN(CCc1ccc(F)cc1)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 619298537 YVHSPOKPAPBEBE-UHFFFAOYSA-N 468.369 5.414 30 20 JKED O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622459758 YPTGFQZTMGLXIT-GPMSIDNRSA-N 480.399 6.021 30 20 JKED Nc1c(F)cc(Cl)cc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517317 GBSHKNKWXWAOPC-HNNXBMFYSA-N 470.772 5.313 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 622687420 JPDLMZVOTHVPER-OAHLLOKOSA-N 493.366 5.311 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1ccc(Cl)cc1 639427494 NIRWYBHPTRUEGG-HXUWFJFHSA-N 456.999 5.549 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc(OC)c1OCc1ccccc1 642282524 ZYVMLBRICMCECQ-GOSISDBHSA-N 477.467 5.518 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)NC23CC4CC(CC(C4)C2)C3)cc1 725762897 YSNNOTBFJYDEPH-UHFFFAOYSA-O 478.682 5.300 30 20 JKED CC(C)COC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 726077861 ZTHLVZZBURQNQU-UHFFFAOYSA-N 474.536 6.136 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 726397841 JFFBXIVEXYWGLG-WMZHIEFXSA-N 467.635 5.306 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccsc1)c1cccs1 726414502 BDUWADAGYUIZMU-QSTYEGGVSA-N 469.657 5.077 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1C[C@H]1CCCO1)c1cccs1 726416935 VHCNRXAJZQQXGX-ZPWDILAPSA-N 496.029 5.109 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)c1 726419291 DNXIQCPFRUDRFO-DYGTUWESSA-N 494.642 5.050 30 20 JKED COc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 726570934 NWEDNIRGQPMTLU-UHFFFAOYSA-O 477.009 5.710 30 20 JKED CCOc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 726571529 WWODCMMUTKHOFK-UHFFFAOYSA-O 493.052 6.519 30 20 JKED Cc1ccc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(-c3ccccc3)cc2)c1 726572051 OLTWKRJQSKMYOR-UHFFFAOYSA-O 466.586 5.456 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cccc([N+](=O)[O-])c1 726572100 RKLZGXRHHBIALJ-UHFFFAOYSA-O 465.942 5.293 30 20 JKED Cc1ccc([C@H](NC(=O)COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2cccs2)cc1 728110510 NJNFGVFOZNCNQY-SANMLTNESA-N 486.549 5.163 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(Cl)nc3sccn23)cc1Cl 728502642 PGGLFZXBRYYQIP-HNNXBMFYSA-N 463.371 5.159 30 20 JKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C/c4ccc(O[C@@H](C)C#N)cc4)nc(=O)c3s2)cc1 728698146 DYQQSPFFHXQIEE-KVMVOAJRSA-N 463.946 5.688 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CCCCC#N)C2=O)cc1 728776201 MRILIJHYECDUIM-XMMPIXPASA-N 470.598 5.802 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3scnc3C)C2=O)cc1 729144757 FCOXZWYCWUHGKA-SZNUYGOPSA-N 484.672 5.411 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCC3)C2=O)c1 730459538 KQFCBVLERFNMRY-HXUWFJFHSA-N 473.545 5.418 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1)O[C@H](C)C2 730685701 BIIDYEHCZJETQZ-IFJZWYSJSA-N 460.574 5.373 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 730688157 SHPXXZXKIOWRAD-SJLPKXTDSA-N 470.641 5.351 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730726632 IWIBSJZLDXGYMV-VWLOTQADSA-N 496.592 5.477 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1=S 731027708 NQGLNVMXHLIWDB-HSZRJFAPSA-N 459.619 5.942 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@H]1C 731079898 WRNZQHXZUPUGNP-RTBURBONSA-N 489.597 5.421 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C)c1 731311095 WFQWMRPBUMYBEU-DEOSSOPVSA-N 489.597 5.008 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccn2)c1 731313199 UPMWCTARQYLPGV-HSZRJFAPSA-N 474.586 5.071 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 746694291 VEYBETNDIGLMSD-VWLOTQADSA-N 493.592 5.509 30 20 JKED CCOc1ccc(OCc2nn(CN(C)C[C@@H](C)C#N)c(=S)n2-c2ccc(Cl)cc2)cc1 746705896 DEFMVSUAYIOCCP-KRWDZBQOSA-N 472.014 5.083 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)cc1OCCCC#N 747472854 GQWQRGQNTBKRRM-CPNJWEJPSA-N 492.594 6.098 30 20 JKED CC(C)c1nc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)nn1-c1ccccc1Cl 748417728 UVHXYLBBGCHHEL-UHFFFAOYSA-N 498.008 5.042 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cn3c(SC(F)F)nc4ccccc43)s2)cc1 750631932 SPVYVRLDQZBWAQ-UHFFFAOYSA-N 488.570 5.005 30 20 JKED C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 769673736 JFBSAJPVELZHJE-APFBBLRHSA-N 450.318 5.150 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2O)c1 798369264 VEKWUCUGZYPRCQ-UHFFFAOYSA-N 477.369 5.333 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3ccccc3Oc3ccccc3)nc(O)c2C#N)cc1 824932450 PTRRJZQGZAUUQY-UHFFFAOYSA-N 484.537 5.253 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 837524108 GGURCHKQSCHKIH-IERDGZPVSA-N 498.530 5.822 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3ccccn3)C2=O)c1 837778906 JYAFUVAWHFIWPU-FDDCHVKYSA-N 476.577 5.559 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 837884232 MNTNMIHLXBIZLW-IERDGZPVSA-N 464.978 5.457 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 837918939 WBWDUUKELBSXMZ-HXOBKFHXSA-N 476.577 5.505 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 837959386 NCOHYHQXZJXIMW-BTYIYWSLSA-N 499.423 6.110 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1ccccn1 838484708 CUSNDGFTWFVZSE-QFIPXVFZSA-N 495.004 5.213 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2Cl)c1 841026053 RNANUUXHHIMRAC-UHFFFAOYSA-N 462.358 5.022 30 20 JKED COc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccccc3Cl)s2)cc1 874066449 FOPASCQRTHNGNV-UHFFFAOYSA-N 456.980 5.419 30 20 JKED C=CCn1c(SCC(=O)Oc2ccc(NC(C)=O)cc2)nnc1-c1ccc(Cl)cc1Cl 909657216 IRXYLXRMBJUQIG-UHFFFAOYSA-N 477.373 5.094 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)ccc2Br)n(C2CCCC2)c1C 913344643 HIAXUPXYUHKFTD-UHFFFAOYSA-N 478.774 5.303 30 20 JKED Cc1csc(SCc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1 915086257 RQSMXPDPYUOGNR-XMMPIXPASA-N 455.608 6.652 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1 915102423 SKJWVESIQSXTPX-GOSISDBHSA-N 469.526 5.023 30 20 JKED N#CCSc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 915631314 AMMKKPSCOSSAAX-OAQYLSRUSA-N 468.047 5.547 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 915716852 SPVQFRWINKTJRZ-XJFOESAGSA-N 485.444 5.470 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)c(Cl)c1 916204334 CNBMJQORTAFYAT-GOSISDBHSA-N 484.380 5.048 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccccn3)C2=O)cc1 916210418 DMMRIFBGWDMBND-DEOSSOPVSA-N 488.613 5.258 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OCC)cc1 916215622 VWQUZPIUGFKKPR-HXUWFJFHSA-N 475.998 5.118 30 20 JKED CCOc1cc(C=NN2C(=O)c3ccccc3C2=O)cc(Br)c1OCc1ccccc1 916263888 HHEUTSNSEDUEOE-UHFFFAOYSA-N 479.330 5.057 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 916847107 LRYCGRKCPLTJCQ-LJQANCHMSA-N 455.539 5.268 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c1 916891403 WAQHCUKQUBVGCT-FQEVSTJZSA-N 478.961 5.078 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 916900587 QQSRHNCPLHJBEY-INIZCTEOSA-N 487.343 5.031 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 916906465 HPDYKXJGYMZFHM-QHCPKHFHSA-N 462.981 5.157 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1Cl 916939344 GCEYCSWMFSQPIP-FQEVSTJZSA-N 470.916 5.162 30 20 JKED CSc1cccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c1 916976122 KKUHDTCMXKWGQF-HNAYVOBHSA-N 468.003 5.415 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cn(-c2ccccc2)nc1-c1cccc(C)c1 917505831 QHFZAGJCKRDQPH-QFIPXVFZSA-N 494.551 5.175 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(OCc4nccn4C)cc3)c2)cc1 917518276 YDUPFLSCTHIPNV-UUASQNMZSA-N 467.525 5.156 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2Cl)cc1 917681893 SCDMFNNSXVRSTO-QFIPXVFZSA-N 474.973 5.372 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cc2ccccc2o1 917701234 LNKHCWOPQDWPEO-XMMPIXPASA-N 498.539 5.604 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cs1 919637427 NCNFEHXUUWXATM-QHCPKHFHSA-N 463.559 5.155 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cc(C)on3)C2=O)cc1 920353979 XGWIUBOHXLTKEP-QHCPKHFHSA-N 492.601 5.241 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 920355821 PMVSHRAQXZCOTO-HXUWFJFHSA-N 486.956 5.244 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1 920806731 OUUPLQSSQMVIPT-CQSZACIVSA-N 479.371 5.960 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 920867494 SNISGMKGCBHWCY-KUHUBIRLSA-N 497.514 5.087 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(-n3ccnc3)cc2)C1=O)Nc1ccccc1 921138726 AIFPWMVWHWFZLZ-XMMPIXPASA-N 499.571 5.172 30 20 JKED Cc1nc2ccncc2cc1C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785796123 TYHKYSVHLHQPTE-UHFFFAOYSA-N 489.579 5.190 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)CC1 1785938101 HRHQGLVPPPCZBC-MHZLTWQESA-N 496.652 5.098 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccc(Cl)cc3)cc2)CCC1 1785988869 OPKZMKDZBOLEAF-GOSISDBHSA-N 468.981 5.087 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1786367087 ZOTYTBYVZYEJJX-UHFFFAOYSA-N 469.585 5.479 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1786372738 VSAXSPANWDSBEG-INIZCTEOSA-N 451.954 5.160 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4CCCCO4)cc3)CCC2)cc1C#N 1786650097 SUOLCXGHERGPDO-XMMPIXPASA-N 475.589 5.052 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)cc1Cl 1787649262 UKBMGXOPSVHDMS-UHFFFAOYSA-N 460.361 5.442 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H]3C)cc2)CCC1 1789213282 XGFOWOGGVCFJNO-KNDOLIKCSA-N 481.637 5.026 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cn4ccc(Br)cc4n3)cc2)CCC1 1789221371 XVTZYSAZCPLINU-UHFFFAOYSA-N 493.405 5.038 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(C(F)(F)F)ccc5[nH]4)cc3)CCC2)c1 1789229630 SJZXCJXQQBLTDR-UHFFFAOYSA-N 491.473 5.448 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)cc2)CCC1)C(F)(F)F 1789287447 NLEWIKMCWVMDDJ-UHFFFAOYSA-N 496.411 5.219 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cc5cccnc5cc4F)cc3)CCC2)cc1 1790477112 OHNLZDMVIWXZDV-UHFFFAOYSA-N 478.527 5.236 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4)CCC3)cc2)ccc1F 1790520507 YJPLLHLNKYDODW-UHFFFAOYSA-N 467.500 5.434 30 20 JKED COc1ccc2c(c1)CC[C@H](CC(=O)NC1(c3ccc(NC(=O)[C@H](C)ON=C(C)C)cc3)CCC1)C2 1790568639 XEXANRMRGVQUBR-SFTDATJTSA-N 491.632 5.125 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)ccc1C 1790707439 KTAGDDAGHJHPTM-UHFFFAOYSA-N 453.542 5.131 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccns4)CCC3)cc2)cc(C(F)(F)F)c1 1790785625 XGDGSGPHSGKAKN-UHFFFAOYSA-N 470.476 5.095 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cnc4Cl)CCC3)cc2)c1 1790795847 BDKUNCRRHGEXFZ-UHFFFAOYSA-N 462.912 5.116 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4nn3)CCC2)cc1)C(F)(F)F 1791303388 XINACALUATYLLF-UHFFFAOYSA-N 474.870 5.149 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)cc2)CCC1 1791727844 KZRXRQMHGPCQOJ-NRFANRHFSA-N 497.636 5.039 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1793051980 OEZIGEXUSMORQI-ADYITMSISA-N 480.052 5.648 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1 1798088252 ZLAWBJWTJNBJDB-WKCHPHFGSA-N 470.686 5.343 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cc(F)ccc2OC)cc1Cl 1799319351 UTYVNHCTWGUWGW-KOUNCHBCSA-N 497.010 5.600 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1801694024 TYOFXHKOSYAVQF-XPWMFVEMSA-N 464.984 5.463 30 20 JKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1802317095 CPZVRFUHNVDDSA-ACDBMABISA-N 458.480 5.326 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1802375785 HIPKNWARFAPFGY-HYBUGGRVSA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(Cl)s2)[C@@H]1c1cccnc1 1802491549 JJYXOEXQXINWEA-XMSQKQJNSA-N 460.043 5.037 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1Cl 1802732874 WCTKFIHUJKJGSD-YKSBVNFPSA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc(F)ccc4s2)C3)c1 1803680356 CGPJWZHMMYGRHO-ZHHJKBAOSA-N 461.562 5.233 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cnc(-c5ccccc5)s4)CC3)C2)cc1 1804757911 OKCFNJRKQYMHBJ-UHFFFAOYSA-N 498.652 5.159 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1805061199 OTWBFCJKCDSTER-WNCULLNHSA-N 486.591 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)C1 1805459888 VCTKJXXKMPBEJG-UHFFFAOYSA-N 466.519 5.458 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1806025678 OJRFIWTUWPNTFY-UGKGYDQZSA-N 498.067 5.064 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1806454080 LXRPJXSZXOQDIN-WNQFUHBBSA-N 480.612 5.103 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccnc1 1807154572 ZHEFGVBVCOXUMS-CVDCTZTESA-N 470.013 5.056 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3ncccc23)[C@@H]1c1cccnc1 1809010603 USUOYXZCPIWNDZ-LXFBAYGMSA-N 498.703 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810719299 RDOWSJIUDYLORO-GGXMVOPNSA-N 495.623 5.962 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811868429 JCRXYXXJQUMRKW-QPPBQGQZSA-N 496.533 5.060 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1812258622 AGKDLEIUXUDLAJ-CJFMBICVSA-N 491.035 5.595 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1813053816 BSHGRPBLVAEQAS-MAGBQMITSA-N 466.025 5.291 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813977926 UGCWLBDCFLDGBY-QVKFZJNVSA-N 498.863 5.281 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCOc2ccc(F)cc2)n[nH]1 1814650590 DIYAAVOSJRWXCE-NRFANRHFSA-N 456.562 5.002 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c1 1814739707 BLXLQYCZJCIRMY-VWLOTQADSA-N 467.573 5.097 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(C(F)(F)F)coc3C)sc2C1 1817675676 UMBPSGMCRWLOLM-KBPBESRZSA-N 467.513 5.058 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817746248 QJINBENBALRZQP-XMMPIXPASA-N 469.589 5.280 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4cc[nH]c4c3)n[nH]2)cc1C#N 1818489560 ZSPDRZZQZSCKTL-XMMPIXPASA-N 496.571 5.170 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3nc(C)ccc3c2)n[nH]1 1818675464 XBUFMRUULYTTHS-URXFXBBRSA-N 457.578 5.341 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)[nH]n1 1819306125 XJOISICUYMNMJR-DENIHFKCSA-N 462.594 5.198 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccccc1 1819516301 KUYATGZABFBQCF-FPOVZHCZSA-N 474.527 5.332 30 20 JKED CC(C)(C#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)sc2C1 1821218505 SGQIUFXIDFSRHO-HNNXBMFYSA-N 489.626 5.128 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)[nH]n2)c1 1821325789 CQZLRUWDIDYRJY-YFVAEKQCSA-N 487.526 5.264 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821524299 PIONGROVCCBBFJ-FQEVSTJZSA-N 493.514 5.668 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[nH]n1 1822582026 WVJRXEZORMJPMF-VWLOTQADSA-N 494.599 5.453 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)CC1 1824000472 LPDSPHBSLUPZRL-MHZLTWQESA-N 499.655 5.069 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@@H](S)C(C)C)CC3)c[nH]2)cc1 1825422494 JFDVAJHDVYQVDU-RPBOFIJWSA-N 467.679 5.178 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)c1 1826471700 MNEHEDXUUCEULA-AREMUKBSSA-N 478.036 5.007 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cc(O)ccc4n3)CC2)c1 1828094059 CEIHYKFHNNDCKZ-MMTVBGGISA-N 496.611 5.115 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)CC1 1828601953 MQNIWYZVMOAYTQ-LJQANCHMSA-N 475.452 5.473 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nn(CC)c3ccccc23)CC1 1828825239 UYQMZKKNHOZDBO-VWNXMTODSA-N 462.638 5.058 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1)c1ccccc1 1829030399 NWNJSUINURZYGD-JWQCQUIFSA-N 489.685 5.451 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc3cnccc23)CC1)c1ccccc1 1829032690 QSXPQNIVDUYDRC-XRKRLSELSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829069477 ZAXNFZJTHBCEQG-RUZDIDTESA-N 462.638 5.302 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 1829070720 LUIDYFATUPOXDM-QHCPKHFHSA-N 475.073 5.503 30 20 JKED CCC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)n1cccc1 1829688824 JVKHTMNWNLFLRZ-BJKOFHAPSA-N 481.040 5.288 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)c1Cl 1829690090 KDCFDBPHOZUCMU-GOSISDBHSA-N 460.361 5.005 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829692911 PSDQUBWZDNBZDO-DFBJGRDBSA-N 489.019 5.386 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)sc2c1 1830012645 RASJGUPNNVXGKT-HSZRJFAPSA-N 472.614 5.024 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830102222 BEVSWTLUZHTCOJ-SANMLTNESA-N 477.580 5.033 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3cccc4ccccc34)CC2)c1 1830714292 XZIOEOYPZPXGPC-HHHXNRCGSA-N 499.586 5.163 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1831375362 URQXOBRSFYLSBE-NQIIRXRSSA-N 473.614 5.072 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(OC)c2C)CC1 1831714896 UIQRPMHTHLDFQQ-DEOSSOPVSA-N 454.655 5.158 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1831855897 RBTUROAGQMDAHU-HHHXNRCGSA-N 467.613 5.711 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2Cl)CC1)c1ccc(O)cc1 1831925945 LVHSOXDVASICHM-QPPBQGQZSA-N 483.008 5.069 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ncc[nH]4)cc3)CC2)c1 1832680221 HSDYJMLGSTWUPX-IDISGSTGSA-N 495.627 5.251 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCC(F)(F)C3)CC2)cc1C#N 1832702916 OXGVLVFYBDIRGF-JTHBVZDNSA-N 487.591 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 1835816153 VGRDXAMYSHRXDK-UHFFFAOYSA-N 480.480 5.171 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CC2(CCCN2C(=O)c2cccc([C@H](C)C#N)c2)C1 1846832882 BOJXBIJKAHMQTR-HSZRJFAPSA-N 495.664 5.205 30 20 JKED Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2ccc(OC(C)C)c(C#N)c2)C3)c2ccccc12 1847156191 XISPXKWLJUVGQX-UHFFFAOYSA-N 495.623 5.257 30 20 JKED C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N(CCC#N)c1ccccc1 9414018 HUHGZIRFXQJDMQ-KRWDZBQOSA-N 482.009 5.273 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1cccc(O)c1)c1ccc(Cl)s1 10174102 XWKDYVUWLKJLLN-UHFFFAOYSA-O 473.905 5.344 30 20 JKED Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2ccccc2C#N)n1-c1ccccc1 10349312 DYXCNKIBEJNOJX-LJQANCHMSA-N 469.570 5.146 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1 10757120 POKBLIJUGUKIAH-UHFFFAOYSA-O 454.761 6.124 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)n(Cc2ccccc2)c1C 16617543 PHAPXOANPJSRLX-UHFFFAOYSA-N 477.977 5.459 30 20 JKED C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 17652897 LCKVEJQOIOSRFB-JOCHJYFZSA-N 473.623 5.423 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2sc(-c3ccccc3)cc2c1=O 17652989 QHYVIYUDCOSVSK-CQSZACIVSA-N 478.624 6.276 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)cc1 20037223 LPAHNFDKALZLHG-UHFFFAOYSA-N 461.497 5.009 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731018 WQDCBBXITSJMIT-UHFFFAOYSA-O 495.668 6.577 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2cccc(Br)c2)cc1 22732596 HQBDMRKMKDPJHS-UHFFFAOYSA-O 498.466 6.139 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 22735456 ATIKLFDTMWZLRC-UHFFFAOYSA-O 471.690 5.922 30 20 JKED C=CCn1c(SCc2nc3c(C)cccc3c(=O)[nH]2)nc2sc(-c3ccccc3)c(C)c2c1=O 23106494 MWXJPPJNMQOSIR-UHFFFAOYSA-N 486.622 5.457 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1C 26113227 PVZSPTCUSFQUPA-LJQANCHMSA-N 459.600 5.366 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)c2)c1 32289947 NPQSILDPRLOZPP-UHFFFAOYSA-N 469.928 5.253 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1C 105348136 JHBOMALDTIEKFN-UHFFFAOYSA-N 482.609 5.101 30 20 JKED C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)cc2F)C[C@@H](C)O1 108288890 OWWRTYYZQWBAAE-RTBURBONSA-N 475.589 5.392 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1 195635581 OBFNFZVVQZBRHE-UHFFFAOYSA-N 454.530 5.801 30 20 JKED COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1 303145410 FFAWNPJDRLKSDI-UHFFFAOYSA-N 452.514 5.201 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)[C@H]4CCCO4)c3)cc2Cl)cc1 409801063 XFZSUSFIVLDSOW-XMMPIXPASA-N 490.947 5.443 30 20 JKED COc1ccc(Sc2ccc(NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cc2)cc1 481578403 ZDKMFZOAAQMVSJ-UHFFFAOYSA-N 498.612 5.240 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 489932991 ISQMIXMCSJXSLU-UHFFFAOYSA-N 487.588 5.887 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1 499348581 WAEJCVNELQFPGE-UHFFFAOYSA-N 462.600 5.845 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2NC(=O)Cc2ccc(C#N)cc2)cc1 505070135 IUAVZQVFLLENTJ-UHFFFAOYSA-N 486.531 5.585 30 20 JKED Cc1nnc(Sc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c(C)c2)s1 505931897 HEDXYYOSCSHXCF-UHFFFAOYSA-N 462.556 5.602 30 20 JKED C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1Oc1ccccc1 506153623 PNFXCIUTBLVMHA-LJQANCHMSA-N 482.540 5.692 30 20 JKED COc1cc(C)c(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 510023693 MPSKJHGJJPVNKF-QFIPXVFZSA-N 463.965 5.985 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)cc1 510210730 LTLYTZSBTAQYDX-UHFFFAOYSA-N 455.345 5.246 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 511308097 UBNXSVHVTQDAKF-MHZLTWQESA-N 454.574 5.290 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 511380810 GNHSACAWVGXBRX-UHFFFAOYSA-N 490.554 5.396 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(I)c(F)c1 511492039 DHBVDEZWTCFSBA-UHFFFAOYSA-N 473.245 5.050 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)c2)c1 511773180 TWFNAFHQQDDAOP-UHFFFAOYSA-N 465.513 5.233 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 513012540 TWRWUBNYSHLVMI-QFIPXVFZSA-N 486.399 5.110 30 20 JKED C=CCn1c(SC[C@@H](O)COc2ccc(Cl)cc2Cl)nnc1-c1ccccc1F 514601758 YNZPZJPKKQMIGB-AWEZNQCLSA-N 454.354 5.109 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 516332243 HDEYGGIPYFYHNA-INIZCTEOSA-N 478.986 5.971 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCc1cccc2ccccc12 517467172 OIUJNHTVAFHKCA-UHFFFAOYSA-N 471.504 5.162 30 20 JKED CC(C)(C)c1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 517468298 LQMJURGWIDGWFB-UHFFFAOYSA-N 463.525 5.264 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 518683084 IDOWLNKOGDEIDN-JOCHJYFZSA-N 470.642 5.877 30 20 JKED C=CCc1cc(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(F)c2)cc(OC)c1OC 519095974 XIXJQYCNUHKMMH-DEOSSOPVSA-N 452.501 5.357 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 519450352 BEVSZNUIZWWMQK-HNNXBMFYSA-N 469.998 5.685 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520197124 VPABUYCUIKNULE-UHFFFAOYSA-N 451.530 5.534 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1ccc(OCc2ccccn2)cc1 520957994 RTXFSKPIIPBRNC-UHFFFAOYSA-N 467.554 5.054 30 20 JKED CCCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@@H](C)c1ccccc1OC 521220924 WUHJUPBJQAYEQG-INIZCTEOSA-N 467.620 5.716 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC 521723218 DGVYDHDKYJHTPT-UHFFFAOYSA-N 486.428 5.450 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 521739587 HPUVEAXIATXIDL-OXQOHEQNSA-N 475.536 5.649 30 20 JKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 521800540 OYJCPZBIDMYHQO-LLVKDONJSA-N 490.242 5.407 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 524392122 WYXVROGMAFWDLW-UHFFFAOYSA-N 457.349 6.179 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(C(=O)N2CCCCC2)c1 557560652 WRFAKCTWRYUTGX-IBGZPJMESA-N 467.660 5.579 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 603601383 XQAAMYNURXYJMC-UHFFFAOYSA-N 471.517 5.451 30 20 JKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ccc2s1 603846233 GKMFPLKCJOOZBW-LBPRGKRZSA-N 489.353 5.654 30 20 JKED CC(C)(C)Oc1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 604441304 PVGDKROXTPMPFX-UHFFFAOYSA-N 473.598 5.396 30 20 JKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)[C@H](C)Oc4ccccc4C#N)cc3s2)s1 608818014 RZLDYTAGSBCFPI-AWEZNQCLSA-N 462.556 5.196 30 20 JKED CCC[C@@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)c1cccc(C(F)(F)F)c1 608864187 BOCCCJFJEBXFOI-OAQYLSRUSA-N 484.526 5.118 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3oc4ccccc4c3CSc3cccs3)CC2)nc1 608950351 WBPHBSFNQQGJFZ-UHFFFAOYSA-N 474.611 5.452 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 609061279 NIFOEPYZKJIMJX-UHFFFAOYSA-N 461.905 5.036 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 609062743 FGNRVRSLKUXGBI-UHFFFAOYSA-N 493.489 5.264 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCc4[nH]c5c(Br)cccc5c4C3)o2)cc1 609071705 SSCGALGJGMKJCD-UHFFFAOYSA-N 476.330 5.173 30 20 JKED COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609081083 ZQZBSCNCIXGQQH-DEOSSOPVSA-N 461.949 6.168 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2cc(Br)ccc2F)C2CC2)c1 609083369 NEYBJAIFCKPSAG-UHFFFAOYSA-N 454.246 5.258 30 20 JKED N#CCCSc1ccccc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 609375907 KRRYQDNEAMKGGY-UHFFFAOYSA-N 494.414 5.888 30 20 JKED Cc1cc(I)ccc1NC(=O)CNc1ccccc1S[C@H](C)CC#N 609431731 HUHLVRJPULGBCU-CQSZACIVSA-N 465.360 5.045 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 609439768 NQHJWKWKPDVEPP-NIYFSFCBSA-N 485.609 5.250 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc2cc(Cl)ccc2s1 613407612 ZQFDFSSLMRTGBC-GOSISDBHSA-N 463.946 5.368 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618295567 TVLRJTYVZZQJIF-AOOOYVTPSA-N 458.761 5.645 30 20 JKED FC(F)Oc1ccc(Br)cc1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 621269687 WYHZSQZNNNRACI-AOOOYVTPSA-N 456.171 5.613 30 20 JKED CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 622456785 AKENIHLZPKZPOL-UHFFFAOYSA-N 459.365 5.536 30 20 JKED CCN(C(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C)[C@@H](C)c1ccc(C#N)cc1 642066452 MQTPOTAEAIATFF-INIZCTEOSA-N 468.479 5.172 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccccc1F 645077267 UECVTRSTCZSOAF-SFHVURJKSA-N 464.566 5.693 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 677655622 QDZIKLYAFXHTCU-DEOSSOPVSA-N 470.598 5.290 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\CCc3ccccn3)N(Cc3ccccc3C)C2=O)c1 726107289 AXONIQYFPVHTIH-OJEZVBBGSA-N 486.641 5.078 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1oc2ccccc2c1CSc1ncccn1 726318210 IOBWCTFFPUCPOE-GOSISDBHSA-N 466.522 5.510 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC[C@H](C)OC 726391969 DIGAQIMRORTQQU-MHECFPHRSA-N 491.613 5.234 30 20 JKED FC(F)(F)c1cccc(CNC(=S)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 726457047 NLVCPDDGMZIYDR-RYUDHWBXSA-N 452.386 5.579 30 20 JKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=S)Nc1ccc(C#N)c(Cl)c1 726485096 JTCFCPJWBOGLIU-UHFFFAOYSA-N 456.974 6.047 30 20 JKED COc1ccc(-c2nc(/C=C3\SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)cs2)cc1 726628155 YZLCILWACZKVPV-LSCVHKIXSA-N 470.000 5.750 30 20 JKED COc1cc(/C=C\C(=O)c2cn(C)c3ccccc23)ccc1OCC(=O)Nc1ccccc1Cl 726741127 UHSRBFUFZBHQIR-QBFSEMIESA-N 474.944 5.754 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c1 726750262 HRWJAAHCBYSHKZ-UHFFFAOYSA-N 459.958 6.364 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2C)c1C 727252290 CMRGMQFIAWBXGU-HSZRJFAPSA-N 493.608 5.128 30 20 JKED COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 727954947 XACZJNKYMZOOPW-CQSZACIVSA-N 462.314 5.453 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C 728187891 BRQINPXXXINAMC-UHFFFAOYSA-N 486.915 6.113 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1nccn1CC(F)(F)F)C(=O)c1ccccc1 728698792 OVKDFNKPKYOJQQ-HMMYKYKNSA-N 455.480 5.475 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1scnc1C 729144070 UNPCSSKPCAPTLL-IBGZPJMESA-N 482.606 5.368 30 20 JKED Cc1csc(Nc2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2)n1 729336649 NRRKDZMUWYYAMB-UHFFFAOYSA-N 473.518 5.133 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1 730720673 NCRSQHHLUOSMEX-GOSISDBHSA-N 493.347 5.281 30 20 JKED CC(C)(C)OC(=O)NC1CCN(Cc2nc(-c3cn(CCC#N)c4ccccc34)cs2)CC1 731041353 WKUJOMKGINHOOH-UHFFFAOYSA-N 465.623 5.168 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 731307331 HHENXVJEBSSPQV-AOMKIAJQSA-N 495.626 5.492 30 20 JKED CC(C)CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C#N)c(Cl)c1 731315391 DYBXCCUTCAVNET-OAQYLSRUSA-N 485.009 5.314 30 20 JKED C=C(C)COc1cc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1OC 747041211 OLRBONWSUKXGNH-HYARGMPZSA-N 455.601 5.103 30 20 JKED COc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c3ccccc3n2)cc1 749147432 LZEIQOXFZVIJGE-UHFFFAOYSA-N 490.563 5.273 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc2csc(-c3ccc(F)c(F)c3)n2)c1 750165003 KMISEAIQGJWXAQ-QGZVFWFLSA-N 483.540 5.126 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3ccccn3)C2=O)c1 837834126 AGNIRMNKSDQCKR-JPYJTQIMSA-N 474.586 5.120 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)OC[C@H]2CC)ccc1Cl 857145527 FIUMYWCHHUIQKQ-SJLPKXTDSA-N 497.444 5.014 30 20 JKED N#Cc1ccc(Br)c(CNc2ccc(CCn3cc(Br)cn3)cc2)c1 864012985 KNFSKUQVERBYMX-UHFFFAOYSA-N 460.173 5.135 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1ccc(-c2ccc(I)cc2)cc1 883955547 YQVQMBRVXIPJPP-UHFFFAOYSA-N 499.352 5.223 30 20 JKED O=C(c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N(O)Cc1cccc2ccccc12 901367411 DLFNOZIXDMYDGJ-ISLYRVAYSA-N 458.539 5.284 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc(Br)cc3)no2)CC1 904717290 PSFGQGKXBNTJOD-UHFFFAOYSA-N 466.295 5.003 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2nccs2)c1 915042629 SLWAREUKKUBWDK-UHFFFAOYSA-N 482.414 5.108 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1OC 915601971 IZPRXFLKPQBQKT-NTCAYCPXSA-N 478.570 5.021 30 20 JKED C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 915763378 BJCAPHDJLDDFCF-RLPNJSHFSA-N 494.639 5.075 30 20 JKED Cn1c(CSc2nc3ccccc3s2)nnc1SCCCOc1ccc(C#N)cc1 915789988 WHRLKVLGDJUAHT-UHFFFAOYSA-N 453.618 5.150 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccccn3)C2=O)cc1Cl 916205191 IKBFRGVSRZOEGV-OAQYLSRUSA-N 498.967 5.043 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(C3CCCC3)C2=O)c1 916207543 GLLKUBWKRTYRPN-QHCPKHFHSA-N 481.618 5.224 30 20 JKED N#C[C@@H](C(=O)Cc1csc(Cc2ccccc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916905786 NAPOIWVQEOSZTK-QFIPXVFZSA-N 467.550 5.416 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 916949816 PWKWYPFMHBINCO-UQBPGWFLSA-N 474.582 5.135 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc1 916952883 NKCWJAKUXMNTIV-QHCPKHFHSA-N 455.489 5.263 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1 916955350 POUMJCNQGNULKB-QRWLVFNGSA-N 482.009 5.182 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 917041869 ZGHFIQWVHDQHKQ-CQSZACIVSA-N 450.308 5.304 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)cc1 917685063 TYNHNWWGGORUCH-NRFANRHFSA-N 465.600 5.307 30 20 JKED COC(=O)C1=C(C(=O)c2c(F)cccc2F)[C@@H](c2ccsc2)NC(=O)N1c1ccc(C)c(F)c1 918082919 HWSKVSSGRJCZBW-HXUWFJFHSA-N 486.471 5.055 30 20 JKED O=C(COC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 919239341 OQWLWUHLZKOLJN-UHFFFAOYSA-N 489.290 5.304 30 20 JKED COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(-c4ccc(C(=O)O)o4)cc3)cs2)cc1 920066250 VOFPTJWXGZYPKN-IZZDOVSWSA-N 461.495 5.585 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(F)c(F)c3)C2=O)cc1 920359589 OXKZWNDPYUCUBF-QHCPKHFHSA-N 490.535 5.305 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 920804834 ZZEOGVMXFDIRBP-YXBWYFRISA-N 477.536 5.217 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 1778868516 LIRLRCVYDDVWCK-ZTCQUFLUSA-N 458.687 5.099 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CCC3)cc2)C1 1785809119 SAVQXGVDGAOBLK-HSZRJFAPSA-N 483.653 5.368 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)cc2)CCC1 1786343948 IDFNNUANEJOQEJ-NLFFAJNJSA-N 473.617 5.013 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4scnc4C4CC4)cc3)CCC2)c1 1787187044 JUXSRFYWTDPWSJ-KRWDZBQOSA-N 470.598 5.709 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cc2)CCC1 1787428027 JIBRWYHEVCJQOQ-UHFFFAOYSA-N 453.411 5.060 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CC3)cc2)CCC1 1787878454 RVKZDNQAIMBAQP-UHFFFAOYSA-N 450.542 5.109 30 20 JKED CN(C)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c1 1788650075 VAZLZCKGZOXJOK-BUHFOSPRSA-N 473.598 5.001 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)C3(F)CCCCC3)CCC2)cc1 1788650784 SCRUGIAFVBQWFT-VAWYXSNFSA-N 454.567 5.294 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cc2)CCC1 1789193383 VPNHXLAQSJHQKF-MYSJAJEPSA-N 453.627 5.528 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)cc2)CCC1 1789295042 LBGFVSWVCGFQBU-INIZCTEOSA-N 470.495 5.313 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccccc3Cl)cc2)CCC1 1790225584 DBNCEQUDVZIOQR-UHFFFAOYSA-N 459.933 5.038 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)CCC1 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5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccnc3ccc(Br)cc13)C2 1798591699 AZYHCGSZYUBTCS-REPLKXPHSA-N 484.438 5.242 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3sc4ccccc4c3Cl)[C@@H]2c2cccnc2)C1 1802407178 LNSMYMAXIUJRQO-HTAPYJJXSA-N 466.006 5.236 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1802493691 XLLJILBFQMOYBN-JYFHCDHNSA-N 465.613 5.242 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1802964145 WKYBOYHYDRYLIA-GIGWZHCTSA-N 493.994 5.260 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1F 1803849138 FHUYJCSJBYILFN-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)C1 1805457183 WWVBFIQYEBQGNZ-DNQXCXABSA-N 455.042 5.443 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C(C)C)nn3ccccc23)[C@H]1c1cccnc1 1807915533 QGULJKXJVUPRAN-ATIYNZHBSA-N 487.648 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)[C@@H]1c1cccnc1 1809701530 OBWCGJZHFXROHK-DVECYGJZSA-N 462.569 5.014 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2F)[C@H]1c1cccnc1 1811400137 MNIRKACNMARPSS-HYBUGGRVSA-N 462.569 5.014 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811530760 IPYAAIXVTPFHQN-YZNIXAGQSA-N 497.639 5.359 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1811743378 OFONMZBQEGHJOV-OZXSUGGESA-N 487.003 5.363 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811784695 YBSKXDXFCVKXRR-JPYJTQIMSA-N 490.406 5.616 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)c1 1811953848 UYKBTIHFLOJKFB-AHKZPQOWSA-N 466.585 5.019 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc4ccoc4c3)[C@@H]2c2cccnc2)c1 1813868201 LLRDTXJLDLYWMF-DSSGHVNRSA-N 478.552 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2)[C@H]1c1cccnc1 1813931549 GPCULCPLHLRJIB-AOYPEHQESA-N 475.633 5.182 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)[nH]n1 1814440129 LBSUUKPGDBNMOC-QFIPXVFZSA-N 479.625 5.203 30 20 JKED Cc1snc2sc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)[nH]n3)cc12 1817831016 UKUISLOPUVQAJH-SFHVURJKSA-N 494.577 5.020 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818443169 SGZBCTAMRFHEOB-XMMPIXPASA-N 487.680 5.315 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)ccc2n1 1818672470 PMCRKKDSOOFLSN-SANMLTNESA-N 492.583 5.077 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cc[nH]c34)n[nH]2)c(Cl)c1 1818772382 ZHUUCARUMNDZLY-NRFANRHFSA-N 472.936 5.036 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)[nH]n1 1819384292 ILXMCNMQEOEPQO-IBGZPJMESA-N 491.133 5.411 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)[nH]n2)c1Cl 1820218961 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C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c(C)c2C(=O)OCC)CC1 1824290883 BREXVEYAKIQITI-XMMPIXPASA-N 499.696 5.045 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1824961683 XUTQIVJNODPYTQ-OAQYLSRUSA-N 469.478 5.454 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1)c1ccccc1 1825877438 DJJFBDZSPOGBPM-BDYUSTAISA-N 460.618 5.327 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)CC1 1825890777 OZGVQMNIZZSIGQ-DENIHFKCSA-N 463.544 5.102 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)cc1 1827405625 CMNOUBIXAUZXRP-HSZRJFAPSA-N 475.614 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)CC1 1827908831 FTKDYJRJGDUWOL-NRFANRHFSA-N 467.576 5.270 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829409853 BSRAQOQLWIKSSC-BEFAXECRSA-N 471.951 5.199 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829491678 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C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978585 RPFIYZPQIRDICR-NLFFAJNJSA-N 489.616 5.252 30 20 JKED CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1831383886 DJYNXHOOMMIKBR-DEOSSOPVSA-N 453.627 5.015 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1831843490 KPQUAROEYQDSRL-XXBNENTESA-N 452.620 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1838424574 KTGXGIUNZDOTCV-UHFFFAOYSA-N 482.690 5.814 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)CC1 1838424607 ONNLQPNKSBCAOZ-SANMLTNESA-N 486.672 5.556 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(OCCCC(F)(F)F)cc1)C2 1841058120 HQGSRXYWVIFJHG-UHFFFAOYSA-N 466.544 5.217 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)C1 1843151632 UFDOWPJOWANXKP-UHFFFAOYSA-N 464.606 5.225 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)C1 1844241861 NOFSBGOVAYMMSB-FQEVSTJZSA-N 481.637 5.109 30 20 JKED C=CCn1c(SCC(=O)NCCC)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 9397814 DKKDAZNTQDBUCH-UHFFFAOYSA-N 457.603 5.273 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl 9456633 XGXORVLCDUQNMX-UHFFFAOYSA-N 495.391 5.354 30 20 JKED COc1ccc(Nc2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)s2)cc1 9804391 GRQSWEIKEBTLRC-UHFFFAOYSA-N 474.011 5.291 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173881 YGPYVORNDYQWEE-UHFFFAOYSA-O 498.672 5.970 30 20 JKED Cc1ccc(-c2csc3nc(SCC(=O)N(CCC#N)c4ccccc4)n(C)c(=O)c23)cc1C 10792993 ZUKGWEHAOWTIHY-UHFFFAOYSA-N 488.638 5.318 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11262834 QDFFDINHYJKZTG-UHFFFAOYSA-O 482.467 6.473 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)nnc1-c1ccc(OC)cc1 11811358 OEDHZIZDHLUEQR-UHFFFAOYSA-N 498.612 5.150 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)s1 22730532 IZDYZFHSJFEDQC-UHFFFAOYSA-O 461.607 6.125 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 23456271 SCLAWPVINJUCHJ-NTCAYCPXSA-N 450.538 5.220 30 20 JKED C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 24075232 OHKAJFBZDTUZCM-GFCCVEGCSA-N 458.012 5.446 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)n1 26145795 DEKLVVOJDOFVLK-GFCCVEGCSA-N 450.511 5.029 30 20 JKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OC[C@@H](O)COc1ccc(CC#N)cc1 30533304 GDYQMFLEDLDSLL-DEOSSOPVSA-N 466.537 5.285 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 59799228 QGEXRXIBKLWVII-UHFFFAOYSA-N 456.473 5.895 30 20 JKED COc1cc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 107647087 AXGVFNUPHYESLL-OAQYLSRUSA-N 464.949 5.593 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCc4cc(OC(F)F)ccc43)cc2)cc1 487691112 SKSFDXPYAJVBFM-QHCPKHFHSA-N 477.467 5.084 30 20 JKED Cc1ccc(C[C@H](C#N)Sc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)cc1 494168197 HRAHQBBBDKUBEF-RTBURBONSA-N 465.644 5.051 30 20 JKED N#Cc1cn(CC(=O)Nc2cc(-c3ccc4c(c3)CCCC4)nn2-c2ccccc2)c2ccccc2c1=O 502585507 PYTDYJUGKJLLKY-UHFFFAOYSA-N 499.574 5.243 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 504050605 HDUVTNGYYRYADA-IBGZPJMESA-N 468.582 6.452 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1 508131886 LNERAUBDZKDWGC-UHFFFAOYSA-N 488.897 5.611 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1 508146063 VHVLFZMREYCRQG-UHFFFAOYSA-N 497.521 5.476 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 509260151 LKEAIIJCVDDYBG-OAHLLOKOSA-N 485.660 5.323 30 20 JKED CC(C)N(C)C(=O)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510053960 HSVAMRBQIRMXDT-QFIPXVFZSA-N 452.986 5.106 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2)cs1 510098530 HYSVHASJMBLQNQ-AWEZNQCLSA-N 492.655 6.017 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(Oc5ccccc5C#N)cc4)CC3)c2c1 510668836 ZYDNJPGJQUOULA-UHFFFAOYSA-N 464.525 6.162 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(OC)c1 511354285 WWWIQMWWTROQQI-SANMLTNESA-N 471.557 5.718 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4ncccn4)c3C#N)C(C)(C)C2)o1 512386462 NDNKBPTVAHKHMC-VURMDHGXSA-N 462.600 5.820 30 20 JKED C[C@H]1CN(c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@@H](C)O1 513985279 MROREECMNJIVRM-OYRHEFFESA-N 472.564 5.545 30 20 JKED C=CCN(C(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1)c1nc2c(s1)CCCC2 514941450 DROKXVYQOZDFME-UHFFFAOYSA-N 458.587 5.390 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 516712091 KTBWSJRYBCIUPC-UHFFFAOYSA-N 487.943 5.064 30 20 JKED Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1-c1ccccc1 517447856 UHOFNHMEUKYFPK-KRWDZBQOSA-N 489.626 5.818 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 518870711 FSPBTFOGVFIJQI-CQSZACIVSA-N 491.548 5.897 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cccnc2)nnc1-c1ccc(Cl)cc1Cl 519378176 VRHZVTUKSUQGMT-CQSZACIVSA-N 462.406 5.145 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccc(Cl)cc1 519414764 UZCFWDJJPZKLJM-MRXNPFEDSA-N 486.066 5.991 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)cc1C 521307960 WLHPENVEXNGTKS-UHFFFAOYSA-N 455.606 5.565 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1ccc(OCc2ccncc2)cc1 522062283 FTQOBXNBACSVSK-UHFFFAOYSA-N 467.554 5.054 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1 522232474 RAXYLQRKIJXNCQ-FQEVSTJZSA-N 494.551 6.216 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(-c3sccc3C)o2)nnc1-c1ccc(C(C)(C)C)cc1 524343678 YTJLVFBKPDGWFK-UHFFFAOYSA-N 494.646 5.579 30 20 JKED Cc1nc(NC(=O)[C@@H](C)Oc2ccccc2C#N)sc1-c1nc2ccccc2n1C(F)F 561310680 MDJDTZQUQKYUDT-CYBMUJFWSA-N 453.474 5.141 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c12 603623631 KAKAGGPVYNCXBG-UHFFFAOYSA-N 466.526 5.317 30 20 JKED CN(C(=O)CSCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1 603758675 AJBZLCPKSHEONU-QFIPXVFZSA-N 470.038 5.458 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)c1 603969517 BFDGYLWYPSARIF-UHFFFAOYSA-N 463.534 5.491 30 20 JKED Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603992333 RJNKKBXXUKEERT-UHFFFAOYSA-N 496.518 5.030 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1Cl 604135487 OXUHMGVPHNNGLU-JYFHCDHNSA-N 480.955 5.235 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(C(F)(F)F)c1 604463830 NBKFFYFFRAYDFH-HNNXBMFYSA-N 453.420 5.185 30 20 JKED N#CCCCOc1cccnc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 608868840 RKJZLXIEAIOMLY-UHFFFAOYSA-N 471.948 5.451 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 608883269 DFHQNFMWQCSSCF-UHFFFAOYSA-N 491.554 5.686 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 608995352 LNCYZVSQIUVCDH-UHFFFAOYSA-N 454.574 5.726 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCNc1nc2ccccc2s1 609078955 UURLGSLQBFISPK-UHFFFAOYSA-N 457.559 5.289 30 20 JKED N#Cc1ccc(CNC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c(F)c1 609252783 SMJUABLMNAYEGR-UHFFFAOYSA-N 471.414 5.682 30 20 JKED COc1ccccc1-c1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cs1 609378362 DUHNOCJJUAFWSU-UHFFFAOYSA-N 463.506 6.096 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nn(-c2ccc(F)cc2)c2c1CCC2 609389416 HASGGJPAJORARD-KRWDZBQOSA-N 480.634 5.766 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 609399283 PMOYAHACPDZTJB-RUZDIDTESA-N 466.541 6.600 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)c(Br)c1 609399293 QJFNTWQXEIXCIE-MRXNPFEDSA-N 482.353 6.116 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 609401544 VTSRJXSAOZLKCF-QVKFZJNVSA-N 470.019 5.498 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609401552 FPDAAVMVOYDDCO-UHFFFAOYSA-N 489.441 5.327 30 20 JKED Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 613259770 BXGXIEZMJVZOFO-NHAGDIPZSA-N 455.393 5.766 30 20 JKED N#C[C@H](C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 613319288 BTFHMOLXBLPGGH-GOSISDBHSA-N 483.778 5.902 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319637 KCXCHCKGQKOXBQ-GOSISDBHSA-N 483.778 5.902 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccc(Cl)cc1 617896494 SUHZVOHLNQENJW-HZPDHXFCSA-N 466.994 5.889 30 20 JKED O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618558719 HFVMYYYYIIWIKJ-SUNYJGFJSA-N 482.827 6.341 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)sc2nc3n(c(=O)c12)CCCCC3 642281862 UUXGLCKRNLAXQS-MRXNPFEDSA-N 460.584 5.106 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 726397440 HWVRMJKDFBMVPF-HXOBKFHXSA-N 479.577 5.364 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 726399193 MVXQCZWQDHEEGK-VLIAUNLRSA-N 477.989 5.173 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1 726415778 OBQQQBOQPCYFEL-JOCHJYFZSA-N 497.617 5.835 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)c1 726428196 GYSLPVWBBBUJLS-JLHYYAGUSA-N 497.551 5.420 30 20 JKED CC(C)C[C@@H](C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 726559746 OCGNKUNCCHEXPS-AWEZNQCLSA-N 474.797 5.116 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 726571336 TYQHVELACONZEF-UHFFFAOYSA-O 464.014 5.646 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cc1Cl 726890136 HWIIFDKWZMLJMP-GGAORHGYSA-N 484.021 5.100 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)c1sc(-c2ccc(Cl)cc2)nc1C 727650856 AVQNXAVSDMTOHZ-UHFFFAOYSA-N 499.021 5.199 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(OCc3cscn3)c(OC)c2)c1 728181943 LREJQKMIRRNEMU-UHFFFAOYSA-N 460.580 5.621 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)c1 728248788 ZDESBBLKYDNGCT-UHFFFAOYSA-N 456.542 5.239 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 728392646 KPASKGCUCSUJGC-UHFFFAOYSA-N 482.556 5.045 30 20 JKED CC(=O)Nc1ccc(/C=C2\CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cc1 728438845 QVWVSWZUZITOET-FOWTUZBSSA-N 453.361 5.744 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c1 728777779 OHUXZFDICHCUFR-QHCPKHFHSA-N 462.619 5.574 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)c1 728779037 WSLXZQFMDQCARB-XMMPIXPASA-N 470.598 5.802 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 728780640 VZHFDOSVQBWPIO-XMMPIXPASA-N 481.581 5.366 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)N[C@@H]2CCCC[C@@H]2C)cc1 729670306 NVIAJPGKPIYXFD-LAUBAEHRSA-O 471.643 5.364 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O 730459646 LKALQTSDVRLXRX-LJQANCHMSA-N 491.585 5.523 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 730714806 XIRPOOUMZWLOKH-XLIONFOSSA-N 479.631 5.185 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cocn2)cc1 730715977 MRZJMWZLRIVNEB-QFIPXVFZSA-N 498.555 5.456 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 730944747 ZQAFYBRCPSNWBB-YCRPNKLZSA-N 482.968 5.596 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccs1 731304310 OLAMTVALYNEDER-FQEVSTJZSA-N 465.600 5.231 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2Cc2ccco2)c1 743524317 JDTCFMRDFMTWRL-NRFANRHFSA-N 496.520 5.104 30 20 JKED CCOC(=O)CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 743526191 TXFSNCHIEAQXTO-QFIPXVFZSA-N 499.608 5.055 30 20 JKED N#C[C@H](C(=O)CCc1ccc(Br)cc1F)C(=O)Nc1ccc(Cl)cc1Cl 745313149 ZUEKKDRLHWYFTJ-CYBMUJFWSA-N 458.114 5.175 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1 746973480 UTTKATWAXZWHGY-LJQANCHMSA-N 489.475 5.339 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O)Nc1ccc2ccccc2c1 747603264 RDXRSRVRDMRGFU-QFIPXVFZSA-N 490.585 5.596 30 20 JKED Oc1ccc(-c2ccccc2)cc1C=Nn1c(S)nnc1-c1ccccc1Br 749444618 SLESRLCOKWYRGA-UHFFFAOYSA-N 451.349 5.251 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)cc1 750688562 FHZNOBIPKDQYJQ-LADGPHEKSA-N 476.374 5.710 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CC(F)(F)F)C2=O)cc1Cl 799217350 MIAVSGYSUJBCJG-INIZCTEOSA-N 455.889 5.171 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 823972283 URCRKOBIOSCJEB-UHFFFAOYSA-N 461.465 5.094 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 837285629 ODDDVHRDRLPVBT-IQGLISFBSA-N 498.583 6.095 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837395537 VWOFAPRYBIQUOW-AOMKIAJQSA-N 480.540 5.390 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)c1 837546344 MONJFHAATHUBGG-WMZHIEFXSA-N 458.587 5.420 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)N[C@H](C)c3ccc4ccccc4c3)nc(O)c2C#N)cc1 857991556 KTAPASVLHDNKFB-SJORKVTESA-N 484.581 5.241 30 20 JKED O=C(C1CCN(C(=O)c2ccc(Br)cc2)CC1)N(O)Cc1cc(Cl)cc(Cl)c1 901380274 RKGMMFLJBGTSGW-UHFFFAOYSA-N 486.193 5.026 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCc2ccccn2)ccc1Cl 912651541 XLKACHOZGZZGTK-UHFFFAOYSA-N 477.369 5.127 30 20 JKED C=CCOc1ccccc1CN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C)c(C)c1 912993056 HIBXLXDHOULTCK-UHFFFAOYSA-N 472.585 5.547 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1OCc1ccncc1 914691836 GEBJCPLPTKSJKM-UHFFFAOYSA-N 452.539 5.290 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 914837532 MCKVYJHJBRRXLL-UHFFFAOYSA-N 470.038 5.083 30 20 JKED Cc1sc2ncn(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c(=O)c2c1C 915102328 XEGNJAMAALSQLA-MRXNPFEDSA-N 468.991 5.118 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 915742581 SEOKVRPXTHJDHM-JOCHJYFZSA-N 451.979 5.316 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(C)c1 916206586 PKCYXYFJBYFTQC-NRFANRHFSA-N 490.025 5.044 30 20 JKED COc1cc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1OCc1c(C)noc1C 916703877 RFCPYZMPKXVOLH-PKNBQFBNSA-N 499.489 5.355 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1 916891497 VAQQIMTYSMGJCZ-FQEVSTJZSA-N 473.579 5.558 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905061 LRSLTRHBKARZIT-NOZRDPDXSA-N 465.509 5.090 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 916914482 LUWCRZQPEFPMGU-UIOOFZCWSA-N 466.537 5.445 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1Cl 916937427 BVLWQKLPUOLDNX-HNNXBMFYSA-N 489.778 5.801 30 20 JKED COc1ccc(Cl)cc1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 916974216 GVQLASMDQOQTSS-AEFFLSMTSA-N 465.962 5.010 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976096 JESJXCQOOJEPTB-RXVVDRJESA-N 481.980 5.260 30 20 JKED N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 916976885 VZBPQJQYHQXGMR-HNNXBMFYSA-N 456.017 6.432 30 20 JKED CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977012 ZWNFPRDDMAQUFU-CTNGQTDRSA-N 466.994 5.164 30 20 JKED Cc1ccccc1[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(N)=O 916997318 VLIRCEZAGZQEOZ-FUHWJXTLSA-N 473.385 5.401 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044288 QMBHJZXIGVSTCU-SKDRFNHKSA-N 487.272 5.860 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nc2cc(Cl)ccc2s1 917045886 BYWGBIYBVKSBKU-CJNGLKHVSA-N 477.895 5.193 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(SC3CCCC3)cc2)cs1 917560529 PUOHSALJCMSJRC-GDNBJRDFSA-N 466.603 6.898 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1Cl 917680280 IAEUEHDKRAMOIW-GOSISDBHSA-N 499.942 5.356 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C#N 917701727 BCGYPXMUBQUBMG-GOSISDBHSA-N 475.401 5.625 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC 918262683 BHUAQSXALDUJOI-GGAORHGYSA-N 461.949 5.210 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cc(O)ccc2C)N=C1C 920485037 JCLCOYAQGFQMGX-UHFFFAOYSA-O 485.029 5.576 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3nnc(-c4ccccc4)o3)CCC2)cc1 1786102933 DCYLVRDQXLBBFS-UHFFFAOYSA-N 456.546 5.253 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1786367940 DLNNBRNEEGTBOK-IBGZPJMESA-N 470.997 5.224 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786573761 OGPLWGFXABDGIB-QHCPKHFHSA-N 481.637 5.104 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789151751 NMTILGCFSCRKLJ-MQNAVGNWSA-N 452.982 5.169 30 20 JKED Cc1nccnc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#Cc4ccccc4)cc3)CCC2)cc1 1789899029 HHBQDURJNZPHCX-UHFFFAOYSA-N 486.575 5.246 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5scnc5c4)CCC3)cc2)c(C#N)c1 1790473056 NVDYRFMVLNBCEG-UHFFFAOYSA-N 496.592 5.167 30 20 JKED COc1c(Cl)cccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707017 AYCATEBRUVSHOT-UHFFFAOYSA-N 473.960 5.476 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc(Br)c4[N+](=O)[O-])cc3)CCC2)C1 1790751546 JJDRETFDMMRJKS-UHFFFAOYSA-N 484.350 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)cc2)CCC1 1791398954 ZJDINILYYWKEGB-UHFFFAOYSA-N 495.664 5.560 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)[C@@H](C)n3ccnc3C)cc2)CCC1)c1ccccc1 1791933329 VPVMXZOFBYSYCM-QFQXNSOFSA-N 468.601 5.084 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c4CC[C@H]5C)CCC3)cc2)c1 1792124018 YOBOUXBNSMFQBO-MSOLQXFVSA-N 467.573 5.148 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)cc1C#N 1792168768 GRIMEOBACXLTCA-MUUNZHRXSA-N 493.554 5.839 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1 1792170016 BEWHAWBLBLVHAR-OKCVXOCRSA-N 490.501 5.064 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792221539 QCOUXVLELLENKZ-NRFANRHFSA-N 497.680 5.760 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2)c1ccccc1 1798556137 HVPRYYDKYBGXTN-ZFFYZDHPSA-N 482.546 5.083 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1802494657 FPZPYONYSAMSRF-RDPSFJRHSA-N 480.008 5.793 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1802495457 FFCJIYNOTITVSW-OFNKIYASSA-N 476.646 5.312 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1802502381 IHEHIYQEXZRVHD-GCJKJVERSA-N 491.529 5.552 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1Cl 1802732296 VSLVWIXJLUZEFT-VFHOHQAYSA-N 487.003 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1803091353 ZZZDRMVEQGNNJV-FIPFOOKPSA-N 488.607 5.109 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1803416942 MIEJBBDBBRLRCO-FJIJXJHWSA-N 465.663 5.261 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3cccc(Cl)c3OCc3ccccc3)CC2)C1 1805047272 CUFSOYIHTMEJOR-UHFFFAOYSA-N 494.035 5.314 30 20 JKED N#CCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1806289318 GRBHVTSRSJDWEH-BHBYDHKZSA-N 488.676 5.755 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1806677211 VLUJEIYVQLCZKD-UHFFFAOYSA-N 462.615 5.350 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1 1807572758 UOVLXDSOMXOKCN-YIXXDRMTSA-N 472.633 5.194 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1)c1ccccc1 1808278957 KOMBHZPWJKFNJS-JOCHJYFZSA-N 497.561 5.142 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c1Cl 1808530405 OULSLXFNWRCRLQ-SJGURGTRSA-N 477.008 5.063 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3scnc3C(F)(F)F)C2)CC1 1808829790 BGUJCTYCGBLMRH-UHFFFAOYSA-N 499.675 5.058 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4cc(F)ccc4s3)[C@@H]2c2cccnc2)c1 1809848972 QJJHUPGGNYVCSD-FNZWTVRRSA-N 498.583 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1810172000 MKIFZYBNKGUMGF-FVVBACEJSA-N 494.639 5.540 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc4c(Cl)cncc4s3)C2)CC1 1810249642 BOVDALWNJMXKJC-SFHVURJKSA-N 472.054 5.563 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810272552 PPPIWURZLPGFRM-NOZRDPDXSA-N 467.730 5.131 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(s2)CCC3)[C@@H]1c1cccnc1 1810273277 DNNMDPMQBSIKRA-ATIYNZHBSA-N 493.749 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3cc(C)[nH]c23)[C@H]1c1cccnc1 1810500261 NVJOQGFBDSVDNQ-RDGATRHJSA-N 458.606 5.183 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccc4c3OC(C)(C)C4)C2)CC1 1810718102 BBRUWPXHRKLQRB-UHFFFAOYSA-N 452.639 5.237 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810719377 UVMFMICBMGFETN-SVEHJYQDSA-N 499.611 5.176 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1811161373 QUMSJZSPLWLROO-OARDWFSCSA-N 480.612 5.232 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1811998538 QLZHDKYPTJZNRS-UZLBHIALSA-N 482.358 5.228 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812515670 DKSVDTZVIMSXKN-IQOKHDRSSA-N 474.432 5.239 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1812590342 HQZSYOKBJOUQOM-REDKUUPNSA-N 460.405 5.229 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1815119032 YGIXWTMHAANJAC-QFIPXVFZSA-N 483.597 5.339 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2ccc(C(F)(F)F)cc2)n[nH]1 1815150076 FCQPDUXUUGDILY-UTKZUKDTSA-N 492.542 5.035 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)oc2C(F)(F)F)n[nH]1 1816469689 SQCKSOULRIYTQI-KRWDZBQOSA-N 466.504 5.628 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc(Br)ccc3c2)n[nH]1 1818984916 IKWDQCVGFUPVKN-QFIPXVFZSA-N 493.405 5.435 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)[nH]n1 1819308155 XACRXWLPSRECEC-RDGATRHJSA-N 469.589 5.546 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)[nH]n1 1819311096 LGJZOUWVNCGHLN-LAUBAEHRSA-N 456.974 5.146 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)c1 1820485083 OIQYZZDDSODFGP-FQEVSTJZSA-N 473.533 5.255 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)[nH]n2)cc1 1821158936 MFSVDRWIQCJTPB-ISKFKSNPSA-N 479.650 5.078 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)[nH]n2)c1 1821324699 BEBQVAKYRYWDIX-SANMLTNESA-N 490.567 5.272 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Br)cc(C(C)C)c3)n[nH]2)C1 1821333373 CIUZKQHTHOYCBS-OAQYLSRUSA-N 485.426 5.568 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4nscc34)n[nH]2)c1Cl 1821519769 LPUWAAVKKYYFDJ-HXUWFJFHSA-N 490.976 5.164 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1)C(F)(F)F 1821994573 XKMCOSVMIIKVOH-GOSISDBHSA-N 464.488 5.011 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1)NC(=O)OC(C)(C)C 1822983147 SJGPEBBNVURXCR-LPOPLRKUSA-N 499.656 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)CCCC4=O)[nH]n2)c1 1823215454 RZQIBZDLUMDRBS-BVZFJXPGSA-N 495.583 5.175 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1F 1823218743 VXYHVMMBCHSJGX-UZUQRXQVSA-N 459.525 5.104 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823310442 VAUQPWBZNWSOST-MRXNPFEDSA-N 487.840 5.595 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1824511354 DJJNPKSARKVXMR-DCLXLUIPSA-N 494.598 5.106 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1826381722 NWIOPMNYQPQPHS-VWLOTQADSA-N 482.665 5.270 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)CC1 1827650494 CUSRPKSTGGHEDN-RBUKOAKNSA-N 467.532 5.004 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2CCC)CC1)c1ccccc1 1827844572 JNBULTKPFHNKNC-UIOOFZCWSA-N 489.660 5.366 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1827846632 FUFZIBSAANBBNF-DVECYGJZSA-N 476.621 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 1828824200 FPYRCLMEBNXQMG-VWNXMTODSA-N 492.689 5.515 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)n2C)CC1 1828828515 LFOICGWEVCPZNP-WOJBJXKFSA-N 465.560 5.046 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCCn3cccc3)CC2)c(Cl)c1 1829037585 ANRXPMRWXJAIOJ-RUZDIDTESA-N 481.040 5.117 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)c1 1830542351 WZUDUJISJMINGL-NRFANRHFSA-N 492.929 5.106 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2F)CC1 1830546312 ZPRGINWZICIMQJ-YCRPNKLZSA-N 483.397 5.173 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831726020 NMECJHRBFXWLNU-RPLLCQBOSA-N 479.640 5.628 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)S)CC1)c1ccc(Cl)cc1 1831844618 LBEJEZULUMLZHZ-MTNREXPMSA-N 451.076 5.018 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c1 1832633824 OCLSWFHHTIWJCP-AVRWGWEMSA-N 465.544 5.139 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CCC1 1832787485 WYVOZOXLGFKCML-HXUWFJFHSA-N 481.946 5.286 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1832827877 HNHBZGAKCPOLLI-XTEPFMGCSA-N 478.583 5.531 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)n(C)c1C)[n+]1ccc(Cc2ccccc2)cc1 10174319 UXDKNSUWIFCIJN-UHFFFAOYSA-O 482.673 6.134 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)n1 10636660 NTGOKEFWYDLJEV-HXUWFJFHSA-N 461.518 5.091 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836755 NNHZYHVECZFJTP-UHFFFAOYSA-O 480.387 6.563 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n1-c1ccc(C)cc1 21456291 WHYZJVACLLVSAG-GOSISDBHSA-N 469.570 5.242 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 22732505 QPRKVGGHNXXLHL-UHFFFAOYSA-O 497.221 5.800 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1 23592347 FVPPHPVTBHIFHO-CYFREDJKSA-N 492.645 5.145 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@H](C#N)Cc2ccc(C)cc2)cc1Cl 24727085 GFVSOTPWHOKYRH-ISXGRJCASA-N 494.041 6.330 30 20 JKED Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCCCN4)cc3)c2cc1C(C)C 30678381 JPPCWZXLUZYSIQ-UHFFFAOYSA-N 481.618 5.297 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccoc1C 36772360 KUEALLOBUQXADK-INIZCTEOSA-N 452.580 5.381 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 59799138 FPUCQJBLKAYZHM-UHFFFAOYSA-N 452.535 6.205 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1CSc1cccs1 195714864 LZEGUNMJALGFTI-UHFFFAOYSA-N 462.596 5.947 30 20 JKED CC(=O)Nc1cccc(C(=O)/C=C\c2cccc(/C=C/C(=O)c3cccc(NC(C)=O)c3)c2)c1 208021415 NENZPIBMJKFDCU-PMJBJKLVSA-N 452.510 5.396 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 247663581 UYFOOBBXOYWOBG-UHFFFAOYSA-N 452.967 5.158 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 250684014 CMILMWBLVNLJSZ-SJPYXHTESA-N 457.669 5.150 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(I)c2)cc1 255935343 QIPTXXBTPINYQZ-UHFFFAOYSA-N 470.335 5.707 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 302978229 PIKIDVWBZHEMOE-AHKZPQOWSA-N 451.570 5.606 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c3c(C)noc3n2)c(C)s1 303291564 MOUNRIIVODUCAI-CYBMUJFWSA-N 462.600 6.381 30 20 JKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 477830701 VGXMNRDWFGTRCL-UHFFFAOYSA-N 460.509 5.193 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)o2)cc1 482845448 ZVFIWVHVXDCHPE-UHFFFAOYSA-N 486.531 6.937 30 20 JKED O=C(C[S@](=O)Cc1ccccc1OC(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 495903314 GGTRKNXYIYYXON-WJOKGBTCSA-N 475.357 5.213 30 20 JKED C=CCc1cc(CNC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc(OC)c1OC 497321953 HMTWFSUEYIVXKY-UHFFFAOYSA-N 450.482 5.299 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 497818564 VWKWHAXLXYVTIS-GOSISDBHSA-N 492.391 5.010 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)cc1 502612414 DCTULXCDLAAMGO-UHFFFAOYSA-N 465.513 5.105 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 502638404 YLOCZIXYYGFYMK-GOSISDBHSA-N 450.608 5.640 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](CO)Cc2ccc(F)cc2)cc1Cl 502738079 CLHQOYHBVTVCNU-MBSDFSHPSA-N 451.929 5.107 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)CC1 505162590 QBOGZRWPTYVNBN-HSZRJFAPSA-N 494.551 5.330 30 20 JKED N#Cc1c(NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)sc2c1-c1ccccc1CC2 511084515 CNRCBVHOWCNJJN-XMMPIXPASA-N 491.572 5.580 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc12 513682178 PXSZZMCGWJIUOG-MRXNPFEDSA-N 462.987 6.208 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)C(c3nc4ccccc4s3)c3nc4ccccc4s3)cc2C1=O 513692226 KWWSMNCYKZWJIG-UHFFFAOYSA-N 495.585 5.703 30 20 JKED Cc1ccccc1OCCCN(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516061035 QEWUMAFJNPQUBJ-QHCPKHFHSA-N 475.976 5.170 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 516066343 IKSUJOHXXZGBKU-CQSZACIVSA-N 472.307 5.473 30 20 JKED Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)ccc12 516443912 PKDYPAYSXBBUQQ-UHFFFAOYSA-N 472.508 5.105 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 517474279 YXBXRHYOMQAFFY-HXUWFJFHSA-N 458.631 5.989 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccc(F)cc1 518652767 BQAODAVQUVVTRE-MRXNPFEDSA-N 467.595 5.395 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(F)ccc1Br 519416149 HMXUQUMOJRKYRK-CYBMUJFWSA-N 453.402 5.854 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OC1CCCC1 521260511 FHJWOSUOPVTZJK-INIZCTEOSA-N 454.498 5.908 30 20 JKED Cc1ccc(C)c(Oc2ccc(CNC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)cn2)c1 521804619 TXPAMNGVBYFBQJ-LJQANCHMSA-N 474.586 5.140 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nnn1-c1ccc(-c2ccccc2)cc1 524582473 PWSCLACKECXHOU-FQEVSTJZSA-N 468.467 5.478 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc(-c2cccnc2)no1 552282613 YAPXOJFUKGEFEM-JTHBVZDNSA-N 486.963 5.959 30 20 JKED C=CCN(C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596339655 BRZMMLIUMAMIPA-SFHVURJKSA-N 481.585 5.720 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1cccnc1SCc1cccc(Br)c1 603638114 TYLZJWFBNJYGMP-UHFFFAOYSA-N 452.377 5.280 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)cn2)c1 603829532 YJRMKYNRMOYAJF-UHFFFAOYSA-N 450.445 5.099 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1Cl 604162773 UOHLFOOUKUQKQS-QHCPKHFHSA-N 461.924 5.264 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C)n2CCc2cccs2)n(-c2ccc(F)cc2)c1C 609009241 PFUQYCKKUULJOO-UHFFFAOYSA-N 494.621 5.040 30 20 JKED N#C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(OCc2ccccc2)cc1 609028877 YWWPKINQBQXTRS-DEOSSOPVSA-N 467.550 5.574 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)cc2Cl)c1 609068859 UHHJLXZIBQIIGH-UHFFFAOYSA-N 452.841 5.009 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1C 609073401 FRBDKXQKBGGSBS-UHFFFAOYSA-N 495.558 5.653 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 609079483 FCQPITMCTDXKFT-UHFFFAOYSA-N 498.562 5.107 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1cc(C#N)ccc1OC(F)F)CC2 609080979 BYSMCFLGRXEMQP-JOCHJYFZSA-N 485.512 5.418 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 609088201 UUKVNZBGHRZFPZ-UHFFFAOYSA-N 482.367 5.350 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609110802 SIGQPLAUZXFYFW-UHFFFAOYSA-N 493.563 6.693 30 20 JKED COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1 609370964 NHBDGICEYWLBPW-CQSZACIVSA-N 471.633 5.415 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O 609371570 NSAINVQWNDEHQV-RXFWQSSRSA-N 498.608 5.083 30 20 JKED Cc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609402248 QMPJTNIKPLOCJU-LJQANCHMSA-N 461.509 5.322 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(OCC(F)(F)F)cc1 609438722 UXGYWTKAWNLYJZ-MRXNPFEDSA-N 483.446 5.108 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 613319222 ABPAPPKEZLZJMB-INIZCTEOSA-N 490.869 6.297 30 20 JKED C=CCn1c(Sc2nn3cc(C)nc3s2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 613361690 QVEBWWHXMFBCCQ-UHFFFAOYSA-N 469.592 5.322 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1 615519762 YHVUFHHLESQYJD-UHFFFAOYSA-N 463.509 5.072 30 20 JKED O=C(CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1cc(C(F)(F)F)ccc1Cl 618449734 WBJMFCBYZUTNOE-AOOOYVTPSA-N 456.736 5.360 30 20 JKED COc1ccccc1-c1nnc(Sc2ccc([N+](=O)[O-])cc2C#N)n1CCc1ccccc1 619711177 RNNVQRNRNXHXKL-UHFFFAOYSA-N 457.515 5.127 30 20 JKED O=C(N[C@H]1CCSc2c(F)cccc21)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 641860783 TWBKGIQJFPGFFB-INIZCTEOSA-N 489.416 6.016 30 20 JKED C=CCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc2c(s1)CCCC2 644443990 RYBFHYOARGFMDT-UHFFFAOYSA-N 460.628 5.795 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 726396661 FYFFYKKMWCNACJ-KSSFIOAISA-N 480.417 5.379 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 726410845 JEZFLKKNKGBASS-KBMIEXCESA-N 498.608 5.183 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2ccco2)C1=O 726419177 DLUHLWAWKSCJEO-PKWGXKOHSA-N 497.642 5.720 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)cc1 726940559 NUQVASYUWHWKPM-UHFFFAOYSA-N 481.556 5.319 30 20 JKED Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cs1 727562253 VMUXQAPYJLWRQK-UHFFFAOYSA-N 470.554 5.193 30 20 JKED N#CCSc1ccccc1C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 727678084 CMQKGUWGDTWTAR-UHFFFAOYSA-N 484.341 5.046 30 20 JKED CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728122076 WWLAVQASQRVOJA-UHFFFAOYSA-N 471.948 5.640 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 728147592 JWBIPINUAJICEZ-QHCPKHFHSA-N 485.971 5.632 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C#N 728424526 CTUDOFFDZITFET-KOSHJBKYSA-N 497.580 5.005 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3scnc3C)C2=O)c1 729145090 HSVHEFBQXNITJI-NRFANRHFSA-N 494.642 5.237 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2F)c(C)s1 730708774 IQMKXWMUHGDBSN-IFXJQAMLSA-N 483.594 5.016 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCCC1 731124015 AMBSPFBJSWZPOV-JOCHJYFZSA-N 489.563 6.087 30 20 JKED C=CCn1c(SCC(=O)OCc2noc3c2CCCC3)nnc1-c1ccc(Cl)cc1Cl 731233157 IDYDUXGGHIVHBP-UHFFFAOYSA-N 479.389 5.140 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731312002 HFACAYWTHWSFDO-XMMPIXPASA-N 491.613 5.322 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@H](C)c2cccs2)c1 731312963 UTGZEECRWHKWMK-RDPUQTLISA-N 495.626 5.052 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)c1 731371855 PLNTUQKCCGJEEG-JAIQZWGSSA-N 463.971 5.591 30 20 JKED C/C(=C\C(=O)O[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(F)(F)F)cc1 748383748 ANVMBLWRMKVHRA-FLOXNTQESA-N 467.312 5.375 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 750699031 YRQASRWFKWHIRV-KRWDZBQOSA-N 470.957 5.382 30 20 JKED COc1ccc(/C=C2/N=C(SCCCCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 779892460 YBHDYLSGPFUIPU-HMMYKYKNSA-N 457.502 5.467 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CC(F)(F)F)C2=O)c1 799219037 KEPCBHFAZGQPCG-KRWDZBQOSA-N 469.916 5.479 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837386882 CZJYSQGVHKUVLJ-JTSKRJEESA-N 462.550 5.251 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 837448754 MFJWLCWEVLVJRE-XXBNENTESA-N 458.587 5.420 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 838090901 KFPXFVBTQBNSMJ-UZUQRXQVSA-N 492.576 5.341 30 20 JKED C=CCNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(Cc2ccccc2)cc1 839385224 OKVQWXWITPTBDT-UHFFFAOYSA-O 463.626 6.219 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccnn2C2CCCCC2)c1 863076883 AOVWMCBYLZERNE-UHFFFAOYSA-N 499.036 5.675 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 914544237 SGMGSMOXRLUUHU-RDPSFJRHSA-N 472.614 5.098 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1)C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103295 SDEQKDKCLISTJS-SFDMKYNQSA-N 493.698 5.339 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccccc3)C2=O)cc1OC 916205975 MXIPUWWJHDYZOZ-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(C[C@H]2CCCO2)C1=O 916209828 RXFSOBAOBIITDO-QRWLVFNGSA-N 492.428 5.441 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cccc2ccccc12 916217199 HRJZRKDAIUCMPU-QHCPKHFHSA-N 475.570 5.003 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C(F)(F)F)c1 916217420 MWSHRSSZLVNMEW-KRWDZBQOSA-N 469.435 5.130 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916217874 XUSZIXMEENKULD-SFHVURJKSA-N 466.390 5.372 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1 916681149 PRFJQXBCDRAJGF-AREMUKBSSA-N 464.525 5.187 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc(O)c2c3c(sc2n1)CCCC3 916848016 YIBLPWJRILEKDK-NHCUHLMSSA-N 495.560 5.220 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 916889858 IYPMZLAFGIFJIA-OSJSJHBBSA-N 456.342 5.094 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042566 GCIFCIFKVMCHTM-ABAIWWIYSA-N 481.496 5.391 30 20 JKED COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCc1c(C)noc1C 917044098 PRCZBXMXSFDUKL-WEBJUUICSA-N 493.972 6.032 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044287 QMBHJZXIGVSTCU-JOYOIKCWSA-N 487.272 5.860 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2csc(C)n2)c1 917316665 CLIZUYVOWCZWKF-UHFFFAOYSA-N 496.441 5.070 30 20 JKED CN1CCCN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)CC1 917380286 SHDINMDJAZNBEL-UHFFFAOYSA-N 456.615 5.245 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)cc2)n(C[C@@H]2CCCO2)c1=S 917457305 FZOKDIRFOXKCPN-QHCPKHFHSA-N 465.598 5.141 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@@H](C)c2ccccc2)[n+]2ccc3c(c2)CCCC3)C=C1 917609895 LTINDIJDIUHXHU-IBGZPJMESA-O 472.634 5.185 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cs1 917644518 GDQLIPWBHWAQTJ-VXLYETTFSA-N 480.571 5.244 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)cc1F 917687038 LSVZRKOZLUOWCE-HSZRJFAPSA-N 490.535 5.305 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 917716724 WQLLUVALWFVRNN-UYRXBGFRSA-N 495.676 5.968 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2S[C@H](C#N)Cc2ccccc2)cc1 917830313 OFIVAQNTTWEDFI-DHNIJCFSSA-N 467.550 5.336 30 20 JKED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 917875335 ZYKDSICLMWXWMQ-ZROIWOOFSA-N 493.304 5.067 30 20 JKED Cc1cc(-c2noc(CCC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)n2)ccc1F 918487314 MKRWPTSTUQDONK-HXUWFJFHSA-N 484.487 5.257 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CSc2ccc(C(C)C)cc2)n(Cc2ccco2)c1C 919319906 VKNQESSPHLZFHG-UHFFFAOYSA-N 465.575 5.015 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 920110143 YVROENKPMBJTBC-HXUWFJFHSA-N 458.880 5.293 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CCc3c(Cl)cccc32)cc1 920171226 TUAGBULTMCKDQK-FCHUYYIVSA-N 484.021 5.026 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc3ccccc23)no1 920352977 WSQOHAAILYWYMN-QHCPKHFHSA-N 488.544 5.436 30 20 JKED N#CCOc1ccccc1C(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 920414496 UMTOJFOMLKPFFQ-NRFANRHFSA-N 455.297 5.433 30 20 JKED N#C[C@@H](C(=O)c1ccc(CN2CCCCC2=O)cc1)c1nc(-c2c(F)cccc2F)cs1 920805962 HOMIDKGTPWFJSI-KRWDZBQOSA-N 451.498 5.091 30 20 JKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1 920806134 VNCKTKVLTHBHPW-CQSZACIVSA-N 479.371 6.209 30 20 JKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806159 HWYHHWAGRIDVOX-PWSUYJOCSA-N 453.297 6.039 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C(C)(C)C)oc3C)cc2)CCC1 1787390013 NFJGLPBMPBYUOD-UHFFFAOYSA-N 452.595 5.616 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(F)cn3)cc2)CCC1 1787536704 DRTFHDGJVSOKKK-UHFFFAOYSA-N 451.618 5.020 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787949860 OKDAIZJPNVGFHL-DOSFMOCYSA-N 488.632 5.299 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ncsc45)cc3)CCC2)c(C#N)c1 1789344265 GTHHISZMFZDFCE-UHFFFAOYSA-N 496.592 5.167 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789954580 PJLUCLZMSQXIGT-UHFFFAOYSA-N 457.599 5.416 30 20 JKED CN(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)c2ccccc12 1790144830 LTOKZYRKUHGUMQ-UHFFFAOYSA-N 477.568 5.167 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4Cl)CCC3)cc2)cc(C(F)(F)F)c1 1790784960 FTISYALRTDDQGA-UHFFFAOYSA-N 498.892 5.687 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3-c3ccc(Br)cc3)CCC2)cc1 1791587907 SXKNSIRTAULYBE-UHFFFAOYSA-N 494.389 5.736 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@]4(F)Cl)cc3)CCC2)cc(C(F)(F)F)c1 1791678439 SANHXVCYCYHIIQ-AVRDEDQJSA-N 479.861 5.249 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)C34CCC(CC3)CC4)cc2)CCC1 1791981634 UPNHGIBIKSIJKB-UHFFFAOYSA-N 457.574 5.042 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nc[nH]c5c4)CCC3)cc2)c1 1792124008 YBRTWTNPRCPQJI-GOSISDBHSA-N 463.541 5.251 30 20 JKED CC(=O)Nc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1792140520 VXXWENJXXOCTNT-IBGZPJMESA-N 480.568 5.334 30 20 JKED CC(C)(C)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)nc1C(F)(F)F 1796460082 HYKLDSKKUNNHBN-REPLKXPHSA-N 478.559 5.220 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(Br)c(F)c1)C2 1798593480 OIRHHDLNCKDDJD-REPLKXPHSA-N 479.434 5.151 30 20 JKED CC(C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Br)c(C#N)c2)cc1 1800634578 MDVXDVFYFXPNCG-NUNAXRQHSA-N 494.433 5.085 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)N(CC(C)C)CC(C)C 1801399790 COAVNCKWNADAIU-UMNYJUJISA-N 479.709 5.174 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1802498056 LMZSDMOQZOBXAG-HYBUGGRVSA-N 479.024 5.528 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)C1 1805452238 WIDYOKZGQXLBEE-FGZHOGPDSA-N 456.577 5.068 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)C1 1806014505 PQPZNZFNTKUGKN-UHFFFAOYSA-N 499.655 5.434 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC[C@H](CNC(=O)CCC3CCCC3)[C@H]2c2cccnc2)cc1C#N 1806208671 DYOVTSOFSJUOIW-UFHPHHKVSA-N 488.632 5.030 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(Br)cc3F)C2)CC1 1806495116 JEYKWMQPPYRSTK-KOEDOTQGSA-N 477.418 5.045 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1809787646 NMPWVMUGMRTTAT-BKSPAHHJSA-N 463.647 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1810171296 DQNNXKMFLDRFSQ-WZOHSFFVSA-N 494.060 6.038 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1810271776 JXDXCRXEBXYYMI-PXDATVDWSA-N 482.100 5.106 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1810494061 CKHRUDSGIAFVTJ-NAKRPHOHSA-N 496.655 5.764 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1811748938 GHGMPYPZOUOMRB-BKMJKUGQSA-N 493.051 5.533 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1812696536 VSNNREFUVFHELP-LLZJGCNPSA-N 469.746 5.355 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)[C@H]1c1cccnc1 1813228711 QLTMYMWBHGHNBD-KMRXNPHXSA-N 496.636 5.358 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1814734114 NGVZDLAPZLCJSF-KSFYIVLOSA-N 491.979 5.053 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1815247665 NRMUUMLCTJXADF-WMZOPIPTSA-N 488.963 5.342 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3sccc3F)n[nH]2)cc(C(F)(F)F)c1 1815429869 VBNHYYUGGNOZAD-QGZVFWFLSA-N 491.470 5.120 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)[C@@H](C)CC)n[nH]1 1816847278 LEBGHDFMNOYOSJ-CLLDFNAGSA-N 466.626 5.215 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)[nH]n2)CC1 1817111670 AEDVSIAQGMBICJ-LADGPHEKSA-N 489.526 5.217 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H]2CNc3ccccc3C2)n[nH]1 1817371883 LDWVOGGZOXCPML-RDPSFJRHSA-N 477.653 5.459 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)n[nH]1 1818158089 QFBALDDPIMBUGD-QHCPKHFHSA-N 490.608 5.107 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818773535 XTQOZSHGPZJEBT-KSSFIOAISA-N 472.998 5.175 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1819303821 PQZBOEOIAJYBQC-NQIIRXRSSA-N 452.599 5.683 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1819385128 JWNGFSQJQHKTLK-QFIPXVFZSA-N 476.653 5.513 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ncoc3c2)[nH]n1)c1ccccc1 1819518891 HZKAPDDYHIXIOS-XUZZJYLKSA-N 481.556 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(C(F)(F)F)n2)n[nH]1 1819934817 ASIFYGZNOWZLSH-OAHLLOKOSA-N 469.533 5.183 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2OCc2ccccc2)n[nH]1 1820237917 TYBIBFWDOREUAV-QHCPKHFHSA-N 490.991 5.361 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)n[nH]1 1820668022 RISHRFAXZVFDTL-AFESJLNVSA-N 489.664 5.225 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n[nH]1 1821151080 SKJSDDGEPCNYHP-HHHXNRCGSA-N 496.611 5.098 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)cc3F)n[nH]2)c1 1821329075 ZWZUGSTWFLEDLG-DEOSSOPVSA-N 489.551 5.136 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccoc3cn2)n[nH]1)c1ccccc1 1821376296 IVJZJQHMROEKSC-XUZZJYLKSA-N 481.556 5.054 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)[nH]n1 1821987053 CPWSOBMISGFODR-MRXNPFEDSA-N 488.869 5.182 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(OCc4ccccc4)cc23)n[nH]1 1822274994 NVEZWWCZEXLMGO-AREMUKBSSA-N 497.599 5.281 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)[nH]n2)c1 1823212077 QLFKIYPLJPSZBV-NIYFSFCBSA-N 492.583 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1823215585 XCKUZEMPQLZZIZ-BEFAXECRSA-N 489.626 5.933 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1823684189 QHMJXVNZIDATLU-LJAQVGFWSA-N 496.655 5.225 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1Cl 1823686196 RCPAJSQOGICXCX-VWLOTQADSA-N 494.035 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nn(CC)c3ccccc23)CC1 1823753279 YLCPSNKPAGUVTH-HSZRJFAPSA-N 464.654 5.282 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1825441793 OCLUSINKEKVDAN-NLFFAJNJSA-N 474.649 5.486 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1827714000 AMNYBORPXGIXCS-SANMLTNESA-N 496.611 5.263 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1827728829 IAMZUVWXPRAMKF-IGKIAQTJSA-N 490.648 5.087 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827793083 DWMSFDINRXECJX-XNMGPUDCSA-N 471.645 5.750 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360764 OAHOXONTPSZRKU-REXAPNPKSA-N 485.575 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c1 1828676045 PYEWCHABDLTUIR-CLOONOSVSA-N 486.641 5.470 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(N(C)C)cc2)CC1 1828829487 ILCLJLBVPWRJLD-KAYWLYCHSA-N 465.682 5.073 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2CC)CC1)c1ccccc1 1829029533 BXCDDQBBFYWZFF-LBNVMWSVSA-N 471.645 5.075 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829596951 VAHDBOKYBIVNKX-HSZRJFAPSA-N 474.630 5.433 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)cc1 1830016143 AZYTTWYTFLGRMX-SANMLTNESA-N 487.003 5.307 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1830417770 HRBBLEITJWOOSC-JPYJTQIMSA-N 496.479 5.347 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1830631766 OCYLGSLMAUCZGL-FQEVSTJZSA-N 490.456 5.668 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)c1 1830697864 JXHFSLRBIGOWEL-WXVAWEFUSA-N 487.644 5.486 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831019038 KDZYLNHBBTVXEI-MHECFPHRSA-N 454.014 5.334 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831307231 PCEURGTZJSSXSN-DCEDVJGZSA-N 490.088 5.500 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Br)cc3c2)CC1 1831375574 ANANTVUOLVSMPN-KOSHJBKYSA-N 498.465 5.443 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1831695594 DAQVSOZKYPXLPA-CHZKFRDHSA-N 465.638 5.017 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831776442 ONWHRZHOKUHNCF-FCHUYYIVSA-N 485.650 5.075 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1831858659 CXHOIMDTGQTFOE-IBGZPJMESA-N 475.452 5.473 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832170131 DYRABMJEXOBIJY-TYBLODHISA-N 490.673 5.123 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)c1 1832552459 NXMNQYHORYBCMM-RUZDIDTESA-N 480.008 5.076 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CCC1 1832786722 MLTLASSQKZGTAY-HXUWFJFHSA-N 466.384 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1835683245 URXBEGPBKIJPNX-XMMPIXPASA-N 479.690 5.163 30 20 JKED COc1c(C(=O)N2CCCC23CN(C(=O)c2cccc([C@H](C)C#N)c2)C3)cc2ccccc2c1Cl 1844753555 GTFYGADAZPTKDO-GOSISDBHSA-N 487.987 5.260 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccc(C)cc1 10173116 XLNHBTFXUPFBPF-UHFFFAOYSA-O 454.413 5.658 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 10178797 VPAYLXMEIFSHQU-UHFFFAOYSA-O 452.043 6.474 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10754732 PSLYNOBGWRFVPE-UHFFFAOYSA-O 472.949 5.678 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)cc1C 11113240 PVMSWGKQKZDCKO-UHFFFAOYSA-O 459.563 5.662 30 20 JKED N#Cc1c(CSc2nnc(SCc3cn4ccccc4c3C#N)s2)cn2ccccc12 14902047 XDOUUUSUFGZDSE-UHFFFAOYSA-N 458.597 5.371 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccc2c(c1)CCCC2)c1ccccc1 15248150 PTASNHNAVNOPPG-UHFFFAOYSA-O 471.524 5.802 30 20 JKED Cc1c(C#N)c(NC(=O)CSC2=Nc3ccccc3CS2)n(-c2cccc(F)c2)c1C 16680381 FYGYTESSBZBCAA-UHFFFAOYSA-N 450.564 5.711 30 20 JKED C=CCn1c(SCc2c(C(=O)OCC)oc3ccc(Br)cc23)nnc1C1CC1 21163669 HXYWRMNCASYEPO-UHFFFAOYSA-N 462.369 5.319 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2ccccc2)nnc1-c1ccc(Br)cc1 21927291 IRQFJQQUGNVTCZ-UHFFFAOYSA-N 457.397 5.039 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(Nc2ccc(C)c(C)c2)s1 23208874 PKJLGGUVMOTYLI-KRWDZBQOSA-N 467.620 5.335 30 20 JKED COc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O 23223476 DYNLHYZXCZBITM-OAHLLOKOSA-N 490.972 5.039 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nnc1-c1cccc(C)c1 24853933 SXJAFPAESCUKHV-UHFFFAOYSA-N 479.606 6.012 30 20 JKED N#C[C@@H](C(=O)CSc1ncc(C(F)(F)F)cc1Cl)c1nc(-c2ccccc2)cs1 26005749 IDKFRJKIVHQCEK-ZDUSSCGKSA-N 453.898 5.846 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1C 45638752 BWKTYDUQAQRJSP-UHFFFAOYSA-N 471.586 5.492 30 20 JKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1)c1cccc(N2CCOC2=O)c1 96311068 AJWRJYIHWJDOQG-QXMHVHEDSA-N 455.539 5.513 30 20 JKED CCN(CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 107819060 YMPQKHWJVHCHLS-RTWAWAEBSA-N 454.574 5.071 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 116669230 HYTKQQLJOFVYGG-JOCHJYFZSA-N 498.970 5.860 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 303037321 YULBLUJBLVKCHN-UHFFFAOYSA-N 454.486 5.449 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 409812110 NCLSRQYTZYUONG-DEOSSOPVSA-N 492.373 6.027 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)cc2Cl)c1 480436966 PNKLYGRHTMDNND-QFIPXVFZSA-N 475.932 5.888 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 485322432 SXFAYLDAFYFDDJ-MRXNPFEDSA-N 482.462 5.231 30 20 JKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)n1Cc1ccccn1 488014169 LQJOLOZDXZWFQS-UHFFFAOYSA-N 452.533 5.402 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3cc(Br)cc(Br)c3o2)n1 492661149 PVHNJIVGIDAAPG-JTQLQIEISA-N 498.152 5.081 30 20 JKED CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 498370459 BFBNUVJEXSQQKL-AREMUKBSSA-N 496.579 5.836 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 500374704 FYPMFEBDFXSSND-UHFFFAOYSA-N 458.349 5.479 30 20 JKED CSCc1nc2ccccc2n1CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 501163683 RYRRIWMUEJOESN-UHFFFAOYSA-N 458.562 5.452 30 20 JKED C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 503695519 KPVPIDNIRSUBDE-QHCPKHFHSA-N 475.614 5.776 30 20 JKED CC(C)CCN(CCC#N)C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 505197301 OLVAXFKLIMMLLI-KRWDZBQOSA-N 468.648 5.474 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1cc(Cl)ccc1SC 506416393 CXZMONVKTVRUBK-UHFFFAOYSA-N 471.779 5.117 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(F)cc2)C2CC2)nnc1-c1ccc(Cl)cc1 508194469 LRCGNGJEGPXGDL-UHFFFAOYSA-N 456.974 5.207 30 20 JKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509848461 BWEDVKNDBRYYFL-FQEVSTJZSA-N 466.545 5.137 30 20 JKED CCN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 511757440 OYHRTPYVUJZWMD-QGZVFWFLSA-N 458.370 5.699 30 20 JKED O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(OCC(F)(F)C(F)F)nc1 512010372 WKOKSOJMVXYUDW-UHFFFAOYSA-N 460.733 5.208 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)n2)cc1 512495030 VBXWURCZVMASDP-HXUWFJFHSA-N 460.534 5.757 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccncc1 514294560 NGSMXKZFEOEQIQ-QFIPXVFZSA-N 457.559 5.007 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncnc2sc3c(c12)CCCC3 514955591 UMYLXLHYHWPBGE-HNNXBMFYSA-N 452.605 5.006 30 20 JKED C=CCN(C(=O)Nc1cccc(OCc2cccc(F)c2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518751491 VOINOIMAVSSJSP-IBGZPJMESA-N 472.524 5.162 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(N2CCCC2=O)c1 519972705 DHCAVAHZCAMKBN-MHECFPHRSA-N 472.976 6.005 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)CC)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 520080238 FQBSHFWGBHXCFP-UHFFFAOYSA-N 481.426 5.743 30 20 JKED COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 520837504 XPASQEGPVPBBIT-SFHVURJKSA-N 491.638 5.930 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 522583198 NALVFBQQXIWFFX-JOCHJYFZSA-N 482.515 5.346 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1cccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)c1 524390552 SHDOFUXQXREIRX-UHFFFAOYSA-N 488.334 6.507 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 591587789 DNHGFPHXZGYAKL-UHFFFAOYSA-N 450.520 5.417 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4sc5c(c4C#N)CCCC5)cc3C2=O)c1 600841861 QODSBAAMJJNPEB-UHFFFAOYSA-N 455.539 5.168 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1 603737828 OVGDOKIELUUFOE-UHFFFAOYSA-N 450.535 5.035 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1Cl 604141140 UMTLJGUADDZOQQ-DENIHFKCSA-N 479.964 5.426 30 20 JKED C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@H](C)O1 604439887 NQDCEKGLPBAQSV-PMACEKPBSA-N 485.609 5.352 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)c1 608803852 CKLQIKFELMBXCP-UHFFFAOYSA-N 473.432 5.533 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Sc4ccccc4Cl)cc3)CC2)nc1 608996036 QFKGTCNTUUONGZ-UHFFFAOYSA-N 463.994 5.548 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 609064405 UBNWQGMLGLZYBE-UHFFFAOYSA-N 497.576 5.215 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)CC2)c1 609185336 XNTWINMBIDXORH-UHFFFAOYSA-N 472.932 5.341 30 20 JKED Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)c1 609382885 WLGKNUCAIGZEPC-GOSISDBHSA-N 465.600 5.300 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1S[C@H](C)CC#N 609428689 UPGOOIMRLBIDQZ-CVEARBPZSA-N 472.035 6.650 30 20 JKED COc1cc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)[nH]c2c(OC)c1OC 613320198 WPAOTJZLDSLNSG-OAHLLOKOSA-N 467.934 5.461 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)cc1 615001735 FUJDQHJJORGCGG-QFIPXVFZSA-N 465.347 5.124 30 20 JKED Cc1nc2sccc2c(=O)n1N=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 725842101 BMUGBJGHCMPAEQ-UHFFFAOYSA-N 465.538 5.307 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1 726077197 OAYQIKQHFIWHOK-UHFFFAOYSA-N 496.611 6.556 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccc(C)cc2)cn1 726118565 OBDOZPZIPNLPDU-OAQYLSRUSA-N 482.009 5.025 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1 726414166 XRNBZLMSSDQZBZ-NRFANRHFSA-N 495.029 5.247 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@@H](C)c1cccs1 726418549 DVUVLLSRPNOJFA-QSTYEGGVSA-N 494.082 5.526 30 20 JKED C#Cc1cccc(NC(=S)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)c1 726439642 GHPPWOOYPRTLAR-QHCPKHFHSA-N 455.583 5.285 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)cc1Cl 726572279 XHQAMAKZTCUKQB-UHFFFAOYSA-O 461.781 6.129 30 20 JKED C=C(C)COc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC 726626887 MHGGGQCSJXHROY-UKWGHVSLSA-N 456.976 5.581 30 20 JKED COc1ccc(-c2nc(COC(=O)c3occc3COc3cccc(C#N)c3)cs2)c(OC)c1 726692409 VOIDVELHKBWLIQ-UHFFFAOYSA-N 476.510 5.228 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cs1 727685305 IECWXZJDRABMGD-WJDWOHSUSA-N 486.568 6.750 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 728051788 JZLISFTYQJNHKU-UHFFFAOYSA-N 490.991 5.323 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728186873 MJOIIRSIRQCORC-UHFFFAOYSA-N 460.896 5.676 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 728422625 JYUGSANOJPPIFQ-AOMKIAJQSA-N 489.988 5.328 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1F 728780592 UWQQGVLNBPSBAH-HSZRJFAPSA-N 492.551 5.772 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 729888247 CWEAOIYRSRPEFK-DEOSSOPVSA-N 484.943 5.091 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)cc1 730461290 AWFKQNAWOZBQEX-QHCPKHFHSA-N 479.602 5.189 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944775 ZWOPOECQXJCGCR-YADARESESA-N 472.614 5.043 30 20 JKED CCc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1cccc(Cl)c1 731069494 IBSUXWNGUCDBNH-MRXNPFEDSA-N 482.993 5.135 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cnc(-c2ccccc2Cl)s1 731079779 YFRDIYORKFLHDX-AWEZNQCLSA-N 471.991 5.511 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c3c2CCCC3)cc1 731136643 SQRYDYOWLICBPD-DEOSSOPVSA-N 490.563 5.813 30 20 JKED Cc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)c(C)c1 731313557 ZLPACTNKRAAKRO-RUZDIDTESA-N 498.608 5.084 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1F 746695099 CANFCSYVUZIJHA-QHCPKHFHSA-N 472.545 5.468 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O 747061025 AYFVUHQRQXHXAL-JXMROGBWSA-N 487.917 5.349 30 20 JKED COc1ccc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)cc1OCCCC#N 747361307 KIKSKMOHIUGAOE-OQKWZONESA-N 466.541 5.111 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cscn3)C2=O)cc1 747599662 LCQZWUVHAOOOFZ-NRFANRHFSA-N 464.616 5.229 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cscn3)C2=O)cc1 747601911 WWLSNDNSVDBMCQ-NRFANRHFSA-N 480.615 5.011 30 20 JKED N#CC1(C(=O)Nc2ccc(Cc3ccc4c(c3)CCN4C(=O)C3(C#N)CCCC3)cc2)CCCC1 748292094 WDQFMKJFEZQDIZ-UHFFFAOYSA-N 466.585 5.273 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)CCN3c4ccccc4Sc4ccccc43)CC2)c1 749147474 OEHXNXXTRVYWFK-UHFFFAOYSA-N 482.609 5.428 30 20 JKED CCOc1cc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)ccc1OCCn1c([N+](=O)[O-])cnc1C 749454458 ZQUMBOKKASNBRA-XBXARRHUSA-N 478.480 5.094 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 750396597 BSIRKPNEGVAISH-DOTOQJQBSA-N 488.794 5.193 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC(F)(F)F 799212359 TWJMHTCCSVGMSA-HXUWFJFHSA-N 471.504 5.671 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccccc3F)C2=O)cc1 837300289 DOOXJJXDSQCBFQ-HSZRJFAPSA-N 493.535 5.328 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](c2ccccc2)C2CC2)C1=O 837515194 OBRDTZPEWBOLDY-AHWVRZQESA-N 485.609 5.807 30 20 JKED CC(C)c1ccccc1N=C1SCCCN1C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 914838382 BNHDJXMHPZRBNG-UHFFFAOYSA-N 477.674 5.634 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 915103330 SSPCXZOTSDNLEE-HKUYNNGSSA-N 458.370 5.561 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915199475 CTDYFKJIZBULEA-DEOSSOPVSA-N 454.961 6.109 30 20 JKED Cc1ccc(-n2c(-c3ccccc3)nn(CN(CCC#N)Cc3cccnc3)c2=S)cc1C 915794903 WBOXYCIEMKYQPI-UHFFFAOYSA-N 454.603 5.456 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNCc1ccc(F)c(F)c1 915975936 YETHXKHLEMVUDH-UHFFFAOYSA-N 456.452 5.048 30 20 JKED COCCOc1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)cc1OC 915993655 VSVGPSSFMITEFA-BQYQJAHWSA-N 474.376 5.503 30 20 JKED COc1cc(/C=C\C(=O)c2ccncc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916136462 OIWICMSXCICTEL-VURMDHGXSA-N 456.420 5.023 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=Nn1c(S)nnc1-c1ccco1 916314318 VSQCTJWNCULCGU-UHFFFAOYSA-N 467.769 5.222 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1 916881046 KLZSEAUEFKFZLE-UHFFFAOYSA-N 455.470 5.421 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916906434 REEQHSHFYNZPAS-ZDUSSCGKSA-N 458.326 5.268 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916917759 IVXXIROBJDHWBN-FQEVSTJZSA-N 471.513 5.562 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 916935419 QEZOUJMPTWSUSP-IMMZDGJCSA-N 486.368 5.102 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 917488961 ZMCFUSBJPLCMSI-UHFFFAOYSA-N 467.038 5.781 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(F)c(Br)c2)cs1 917559322 IBGSYRFEJLSHMK-UXBLZVDNSA-N 459.340 5.934 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCCc1ccccc1 917704728 XWWCNTSZCJMIGD-DEOSSOPVSA-N 468.582 5.151 30 20 JKED CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(OCC#N)c3)c2)cc1 918596448 IPHBGCXQCZEWBW-UHFFFAOYSA-N 477.586 5.293 30 20 JKED Cc1ccc(NC(=O)[C@@H](OC(=O)CCc2c(C)nn(CCC#N)c2C)c2ccccc2)cc1Cl 919253244 ZFHJEHJBSSAYCB-VWLOTQADSA-N 478.980 5.231 30 20 JKED C=CCN(C(=O)CCNC(=O)OCC(F)(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919987730 QKQRMFGJFDKXSK-UHFFFAOYSA-N 482.311 5.315 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 920018857 XPCZUDIIMZZIIC-UHFFFAOYSA-N 498.004 5.594 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N([C@@H]2CCc3c(Cl)cccc32)C1=O 920169373 SCOIKKANXJJLFO-YADHBBJMSA-N 463.990 5.248 30 20 JKED CC(C)(C)c1ccc(N2CCC(NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 920198458 YOVZCURIDCQVDP-MUUNZHRXSA-N 494.639 5.363 30 20 JKED C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1722539352 NQAPVUVYPRJIBG-FQEVSTJZSA-N 470.415 5.000 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)C1 1780016987 DXOZIIRJOWNQLX-HGIQPGCESA-N 491.657 5.236 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)no1 1785796112 QZBKSMMEHVOUSV-UHFFFAOYSA-N 456.546 5.050 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]5CC[C@@H]4N(C(=O)OC(C)(C)C)C5)CCC3)cc2)C1 1785808056 JXPSRIMPSKYSPK-FOVJLYNBSA-N 493.648 5.122 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCCOC4=O)cc3)CCC2)cc1 1786102972 JCNILMHDIVHZSD-UHFFFAOYSA-N 487.600 5.549 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4n[nH]cc34)CCC2)cc1 1786103927 SEEIMKLVOUGHLH-UHFFFAOYSA-N 463.969 5.127 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cccs3)cc2)CCC1 1786948593 WZVRRSCGKOVPDH-QFIPXVFZSA-N 497.661 5.284 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CSc4ccccc4)cc3)CCC2)c1 1787776248 SXGQSNYGXOCYQK-UHFFFAOYSA-N 471.582 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(Cl)cccn34)cc2)CCC1 1788387069 VDEGLEBFUWPFIM-HXUWFJFHSA-N 462.981 5.504 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)CCc5cccc(C#N)c5)CCC4)cc3)c2c1 1789274492 GGRDNDDPLDHVLV-UHFFFAOYSA-N 492.579 5.429 30 20 JKED Cc1cccc(-c2cnccc2C(=O)NC2(c3ccc(NC(=O)/C=N/N4CCCCC4)cc3)CCC2)c1 1789514911 QAZPQODKSMGEAM-RUMWWMSVSA-N 495.627 5.276 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)cc2)CCC1)C(F)(F)F 1789531330 UFUCCMJCBCMLAW-SLFFLAALSA-N 458.505 5.127 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3csc(-c4ccccc4)n3)CCC2)cc1 1789577542 FRDVMLBQJJJXSM-LQKURTRISA-N 484.581 5.270 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)CCC1 1789876055 NKGYVZAFJZGGIB-NRFANRHFSA-N 457.496 5.617 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)CCC2)c1 1790344867 GZCWZPWNGRKAJP-UHFFFAOYSA-N 489.959 5.290 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(C)cc3)CCC2)cc1 1790509253 TUPODUHTMQQWBY-UHFFFAOYSA-N 497.595 5.314 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C45CC(C(F)(F)F)(C4)C5)CCC3)cc2)cc1 1790705002 BCJQHOXXDPEGGA-UHFFFAOYSA-N 467.491 5.233 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](CC3CCCC3)NC(=O)OC(C)(C)C)CCC2)cc1 1791588245 AQZRHXPXFKTTAC-QFIPXVFZSA-N 469.626 5.170 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)CCC2)cc1 1791729113 WCNOPROWRQKSPY-CXUHLZMHSA-N 469.585 5.517 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c(OC)c1 1792125393 YHUMYXUJABDTLU-IBGZPJMESA-N 483.568 5.392 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5o4)CCC3)cc2)c1 1792127222 UUAPSOZTXFONRO-GOSISDBHSA-N 464.525 5.516 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CC3(F)F)CCC2)cc1)NC(=O)OC(C)(C)C 1792204562 INRZJDYJMZBAQJ-CYFREDJKSA-N 491.579 5.025 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCCCCCC(=O)OC(C)(C)C)CCC2)cc1 1792268586 QLCCDTHPAQAMIB-UHFFFAOYSA-N 454.611 5.216 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3occ(Cl)c3c2)c1 1799329404 PBNZFBWVFATGKJ-HUJKARHJSA-N 461.949 5.279 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)c(Cl)c4)CC2)C3)cc1 1800545292 SOBMDKASWPIVIM-WKCHPHFGSA-N 482.411 5.043 30 20 JKED Cc1ccc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(C#N)c3Cl)C4)sc2c1 1801084574 MFQWMXHQBZOQBM-REPLKXPHSA-N 463.990 5.300 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([C@H](C)C(F)(F)F)cc1 1801458155 SCZFJKAEHJPICP-MVWVFHAYSA-N 464.572 5.526 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1803090285 ZPZHCLFKKUEBDK-CJFMBICVSA-N 477.008 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1805697234 JOFAYBQDYIETPG-UYAOXDASSA-N 477.527 5.314 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)c1 1809623464 LOXWFLLEFANDRO-UEMSEPCVSA-N 488.607 5.018 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1809783620 YJEJCVGVCJMTRR-OFVILXPXSA-N 463.647 5.110 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(C)c2F)[C@@H]1c1cccnc1)c1ccccc1 1810441707 WIXCJYPZDOSQJU-CERRFVOPSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1810500512 RLOXEDRMSAANJG-NFBKMPQASA-N 479.621 5.747 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810590820 KGCHQZPFOPVBMA-RCZVLFRGSA-N 498.067 5.834 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811442909 UVWLLNFKIZTZFV-CUBQBAPOSA-N 469.560 5.011 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811743159 LPISPUGXFPOKMO-GAJHUEQPSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[C@H]1c1cccnc1 1812449057 UDUWDPXOBLIJBP-IRMATFOQSA-N 487.566 5.208 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812514251 LAKMZHREXTUMEX-PTLVVNQVSA-N 466.025 5.075 30 20 JKED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1813042690 JWMFTDMKOBGDJR-HWHXTQLESA-N 491.682 5.012 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1813053810 BSHGRPBLVAEQAS-KHIORFRISA-N 466.025 5.291 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@H]1c1cccnc1 1813229216 LCZVXGZMJGDRJP-BTYSJIOQSA-N 494.595 5.336 30 20 JKED Cc1csc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1813864783 DFOHVLALMTUGSU-NFCJYOSASA-N 486.641 5.031 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn3c(Cl)cccc3n2)[nH]n1 1814443133 NKHHLDOFUFCJOF-SFHVURJKSA-N 468.989 5.009 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1814443180 PAEMNHAQQLSUEF-IBGZPJMESA-N 451.596 5.318 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1815206964 ILFRRMNMUJRICY-NRFANRHFSA-N 497.983 5.007 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818773534 XTQOZSHGPZJEBT-KDOFPFPSSA-N 472.998 5.175 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)[nH]n1 1819555599 OPAFYQCYLUUUKI-KRWDZBQOSA-N 464.397 5.410 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)CC2 1819979394 RWZOYZNGUNXKDA-CXQWBTLCSA-N 474.586 5.001 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1ccccc1 1820224074 ZPNLOMRZERHVFY-HRAATJIYSA-N 461.953 5.044 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)cc1 1820230504 GOYQWTUXZQKOIU-NRFANRHFSA-N 473.920 5.301 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccc(-c2ccccc2)c(F)c1 1820237775 VVBAQRUTYUMEAF-OJANRJRPSA-N 499.546 5.234 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3ccc(F)cc3)n[nH]2)c1 1820316524 JQUNTYSPGGTWAL-DEOSSOPVSA-N 494.530 5.102 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1)c1ccc(Cl)cc1 1820481770 OGPGGFGRZHXGQT-KSFYIVLOSA-N 461.953 5.044 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1820977773 YCKRXIYFGSJKJI-ACJLOTCBSA-N 499.921 5.189 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)n[nH]1 1821358193 VDIOHKYKAJQTET-NRFANRHFSA-N 493.608 5.093 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1821927523 CEAFCZWQBFKGPF-DYVFJYSZSA-N 479.806 5.344 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1821985887 LCFBRMDFTBJBMO-NRFANRHFSA-N 479.531 5.297 30 20 JKED COC1(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)CCC1 1823070886 GUNHJSHNHPYZCD-AREMUKBSSA-N 496.611 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)[nH]n2)c1 1823212829 WZZFXRMHBCQCRO-HHKSNPGESA-N 489.526 5.334 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)[nH]n2)cc1C#N 1823294683 RAFNMEMFMQDWOT-UKILVPOCSA-N 497.599 5.104 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC2)C1 1823702018 RSNQJSPPMVNYQR-DEOSSOPVSA-N 474.686 5.255 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C)cc2C(F)(F)F)CC1 1823751949 FKNQNBQLUZVFCR-NRFANRHFSA-N 467.576 5.270 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(OCCCC(F)(F)F)cc4)sc3C2)C1 1823826697 IOXNVEVADDEGQQ-KRWDZBQOSA-N 493.551 5.056 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c1 1824053944 AVJQPFBSHZNTCE-GDWJQBMWSA-N 461.650 5.081 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824267975 VFEOADWLHXFQMP-MUUNZHRXSA-N 494.676 5.436 30 20 JKED Cc1scc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1C 1826182308 REABJPOMWCFBTQ-SHBDEGQCSA-N 470.660 5.099 30 20 JKED O=C(c1cc(F)ccc1OC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826670277 MHEWUHSIMCTUBA-KRWDZBQOSA-N 498.439 5.300 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1827385547 LOKDDCVPSTXJEO-NDEPHWFRSA-N 496.655 5.452 30 20 JKED Cc1ccc2[nH]c(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)cc2c1 1827697273 LOMUYEFYHIWRQB-JXFKEZNVSA-N 483.597 5.100 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc4ccoc4c2)CC3)c1 1827700267 IZSILUPGYHZAPF-QRWLVFNGSA-N 470.554 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)CC1 1827852907 ZZUSGEDOFDBZGW-NRFANRHFSA-N 465.560 5.326 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828293865 YUMQQBVFPAORKA-FGZHOGPDSA-N 462.059 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccc(C)cc2)CC1 1828342257 CQGRPHVONMGVOV-DQEYMECFSA-N 454.680 5.475 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828497791 MRZAXXGBRDYPBG-LOSJGSFVSA-N 498.067 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc(Cl)c2)CC1 1828824747 PURWCKZJMICTKI-ZEQRLZLVSA-N 459.030 5.107 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1)c1ccccc1 1829029700 FFCQKPHROXEPHB-UIOOFZCWSA-N 484.631 5.629 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829139702 IYYOJYAQDBKXCM-OAQYLSRUSA-N 495.662 5.318 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1829690117 LJDANMFRCQRPAS-REWPJTCUSA-N 454.014 5.191 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1 1829945387 KQWHZLCHWCSNOG-JWQCQUIFSA-N 497.680 5.006 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1829955236 ZXZFRVIHGMAABZ-TYBKAHOSSA-N 467.569 5.251 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830359523 RPXUBHVEMOBUBP-RUZDIDTESA-N 481.999 5.135 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 1830627374 CTKAGAMZDVFPRJ-DEOSSOPVSA-N 467.972 5.092 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1830718710 LWAGGBQUGRSCTH-WOKXFPNESA-N 485.559 5.390 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1831471766 NVEMHBVDOTUFRP-OKFMSENYSA-N 458.668 5.323 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1832026071 IXOPHIYVBVHUDH-XIQMRYHBSA-N 474.567 5.532 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1832028802 CTLGRWQMXHYOCF-DEOSSOPVSA-N 461.606 5.077 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c(F)ccc(F)c3F)CC2)c1 1832629298 NDNOQSBPEIPDAA-AVRWGWEMSA-N 497.561 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832988449 JOGGKNYCAUHMMN-SCEISYLISA-N 495.667 5.669 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1844203364 NIMKRLZBCYCXQE-LOSJGSFVSA-N 464.556 5.470 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845547024 ZLGCYIHHWUWEAL-AREMUKBSSA-N 484.596 5.022 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)C2)c1 1846279408 UADKNBCMCQCDER-KRWDZBQOSA-N 482.411 5.169 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 10832088 ZULYBHZCFXDFKF-UHFFFAOYSA-O 457.953 5.835 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 10836326 BIZJZVOMMWDHRO-UHFFFAOYSA-O 492.451 6.923 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1F 11082825 DIQUOLCXLNUWRB-UHFFFAOYSA-O 490.023 6.717 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccccc2CC)cc1 11251731 XKEHTIUZXQNZJA-UHFFFAOYSA-O 475.634 5.689 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 11253312 UFGWBDTYCSJTJT-UHFFFAOYSA-O 495.690 6.178 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccc3c(c2)CCCC3)c1 14872275 CZIZSPSSZAVWDD-UHFFFAOYSA-O 457.663 6.391 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccc3c(c2)CCCC3)cc1F 14872357 OJPPKAAEKHRRFL-UHFFFAOYSA-O 498.441 6.114 30 20 JKED N#CC1(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)CCCCC1 15275012 WTRRNMAYJDONLX-UHFFFAOYSA-N 487.416 5.071 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccc(F)cc1 22100741 GAHOWXVFIMIJHV-LBPRGKRZSA-N 495.458 5.317 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 22213543 BOTSZLYJVDSRHJ-UHFFFAOYSA-N 477.634 5.217 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 22690351 XAWOHJZAXQLZOR-UHFFFAOYSA-O 490.533 5.262 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(O)c2)cc1 22732813 NGJXOYKPRQMHPV-UHFFFAOYSA-O 455.987 5.400 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(F)cc1 26040402 PGUYWNPJUUZASM-LJQANCHMSA-N 475.574 5.362 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccco1 45643360 VEIRWDLBOFQLSZ-LLVKDONJSA-N 456.877 5.516 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 46861543 VQBRPDOECGWSAI-QPPBQGQZSA-N 463.940 5.528 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc(-c3ccccc3)nc21 195557447 USFLCGUENPBRAQ-SFHVURJKSA-N 470.483 5.914 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)cc1 213237280 BOIUDBBEYIPVBD-MNDPQUGUSA-N 463.493 5.176 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 255930871 PLJOYFSQZREJHL-HZPDHXFCSA-N 474.989 5.194 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc(Cl)c3c(c2)OCCO3)cc1 302928403 DBUKNYFNAJBHNF-UHFFFAOYSA-N 450.947 5.205 30 20 JKED COc1cc(Br)c(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 303179554 KBNZPIKJBYXNNE-UHFFFAOYSA-N 467.319 5.060 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 303354717 OLUNQVVQONUQMM-OAHLLOKOSA-N 498.402 5.870 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 485822277 YQWNMHULPDVDCE-UHFFFAOYSA-N 473.488 5.190 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)ccc1OCc1ccc(Cl)cc1Cl 497805961 UUUIFNDZNMPJGE-GOSISDBHSA-N 485.371 5.389 30 20 JKED COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 498293837 XVEZDGMQVZXLHJ-UHFFFAOYSA-N 484.961 5.471 30 20 JKED N#CCCCCNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 505073518 GJWBLLJITHZGNH-UHFFFAOYSA-N 496.032 5.155 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1)[C@@H](C)c1ccc(C#N)cc1 509556342 CHNTUMQAQWBWGL-FQEVSTJZSA-N 461.587 5.199 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 509837058 HHZONDMLKLTNMN-UHFFFAOYSA-N 480.490 6.272 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)c1 510265919 GYWWOOOHEXJCSL-QFIPXVFZSA-N 468.557 5.850 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 511419614 DJGRCKFXMJRYQI-QGZVFWFLSA-N 453.464 6.233 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1OC(F)F 511496402 FADVEPPUGHOZKA-OAHLLOKOSA-N 450.445 5.295 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 512316358 VGQMRRPQOGGKQF-SFHVURJKSA-N 479.552 5.126 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1 512535631 JHXBFBMTNGFEAB-UHFFFAOYSA-N 488.525 5.151 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC 512858804 ZDZIKCWPDAXYOH-UHFFFAOYSA-N 468.513 5.079 30 20 JKED C=CCOc1cccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)c1 513187569 CUKGYAYSVYQAEN-JOCHJYFZSA-N 482.334 5.714 30 20 JKED COc1ccc(Br)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 514468699 GVUCCYHJMFAIBL-UHFFFAOYSA-N 496.308 5.648 30 20 JKED COc1cc([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OCc1ccncc1 515450644 RPKDTTNJJPUHNC-LJQANCHMSA-N 483.524 5.204 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c(C)c1 516225774 AUNMXOYSJSIOKE-UHFFFAOYSA-N 467.569 6.403 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 516264849 VEFNOQUTRFVJGZ-KRWDZBQOSA-N 467.308 6.212 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc1 516270417 XTNCAYIAOROCHO-QFIPXVFZSA-N 468.538 5.953 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 516476459 RLDSEKKRLWULGP-JOCHJYFZSA-N 480.395 5.681 30 20 JKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 517388283 RVJDFNVIYBAYBV-LJQANCHMSA-N 457.599 5.309 30 20 JKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)n2)n1 517824157 PCDRSOOAZWAFLQ-HXUWFJFHSA-N 476.367 6.099 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 518140066 OJWMPWGJCMKMIO-OAHLLOKOSA-N 487.553 5.270 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(SC)n3-c3ccc(F)cc3)n2)cc1 518516804 ZUMNABCDWVOJQE-SFHVURJKSA-N 464.547 5.355 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1cccs1 518598233 OIVRSGIITYHSRD-UHFFFAOYSA-N 471.538 5.481 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 518757182 ZZGNUTRHNXLOMN-UONOGXRCSA-N 450.391 5.074 30 20 JKED CCn1c(SCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)nnc1-c1ccc(Cl)cc1 519486519 MYZHYXMLCHRCBW-MRXNPFEDSA-N 480.808 5.398 30 20 JKED Cc1cc(=O)c(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)nn1-c1ccccc1F 520504178 HQOXGTPRWMYBLX-UHFFFAOYSA-N 472.907 5.052 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCC(c3ccccc3)c3ccccc3)cc2)c1 521805317 AAEOYPGYUQTPLT-UHFFFAOYSA-N 461.521 5.237 30 20 JKED Cc1cccc(COc2ccc([C@H](C)NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)c1 524116379 LICOEAQSPRGNBM-QFIPXVFZSA-N 496.611 5.567 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3C(F)(F)F)o2)cc1 524391909 IPTLUCJUXJAZJC-OAQYLSRUSA-N 499.445 5.119 30 20 JKED CCN(CCC(F)(F)F)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 594480047 COVZIKIJIBTYRD-UHFFFAOYSA-N 464.744 5.292 30 20 JKED COc1cc(I)c(Cl)cc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 603569657 UDCGZYLJSLKYRI-UHFFFAOYSA-N 454.695 5.007 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1 603734085 NUSPBTZQHRJWPK-UHFFFAOYSA-N 459.449 5.294 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)N(CCC)Cc2ccc(C#N)cc2)c1 603737851 XVDXXYLZDNADDL-UHFFFAOYSA-N 478.596 5.535 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603766928 ZVTLPYOFGLILEJ-HSZRJFAPSA-N 468.948 5.098 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)c2)cc1 603921361 UHGJIJKDHIHBNN-UHFFFAOYSA-N 488.547 5.811 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)c2)c1 604085701 NZJWBLTYRSRCJS-QHCPKHFHSA-N 460.921 5.069 30 20 JKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)o1 604464654 HQQOTXSHCXOOIE-XDHUDOTRSA-N 455.514 5.197 30 20 JKED CCN(CC)[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccccc1Cl 608802392 AZLPNUOGHRPOLG-HSZRJFAPSA-N 451.954 5.197 30 20 JKED Cc1ccc(COc2ccc(C[C@H](C)NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cc1 608922132 BHNYIWAYXSCKRU-NRFANRHFSA-N 469.585 5.061 30 20 JKED COC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(OCC(F)(F)F)c1 609065731 MRNNOGAQXUVPBV-UHFFFAOYSA-N 484.430 5.117 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 609079417 BNVIGVGKHNJFPR-RUZDIDTESA-N 479.939 5.844 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)cc2F)c1 609110883 YBASULOOGTZFFL-JOCHJYFZSA-N 481.936 5.371 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1ccccc1 609403036 MSIBCPZOYYJTBT-LJQANCHMSA-N 461.587 5.848 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)c1ccc2ccccc2n1 613292521 NJRGXGZPFKFUGU-HXUWFJFHSA-N 471.442 5.720 30 20 JKED O=C(Nc1nnc(SCc2ccc(F)cc2)s1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618538804 AMXLORRSTMHHHF-QWRGUYRKSA-N 488.454 5.564 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2Cc3ccccc3-c3ccccc3C2)c1=S 726186783 ZAPKGYDIFYZCDW-UHFFFAOYSA-N 459.663 5.269 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 726321736 OXADNCGNMCBOMO-MRXNPFEDSA-N 469.284 5.070 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(C)C)cc2)s1 726411128 KVUXUHTZETUUMV-KKSFZXQISA-N 471.648 5.205 30 20 JKED CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 726427840 ZCUCVRBPZRSGEM-ZHACJKMWSA-N 452.479 5.097 30 20 JKED COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N 726626848 HMPYEPVXXBORRR-ZTPSMGMTSA-N 479.410 5.867 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(I)cc(C(F)(F)F)c1 727993672 SYEQNUZLILYVGM-UHFFFAOYSA-N 495.242 5.059 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 728738842 UDNPJBUBBOVIIX-KAYWLYCHSA-N 483.612 6.378 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CCCCC#N)c1cccs1 728777165 DRLIKHAKWFDCEQ-VAPRLZSCSA-N 490.654 5.985 30 20 JKED COCCCn1c(-c2ccccc2Cl)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728903031 HEAGIGDIMVNCJO-UHFFFAOYSA-N 498.052 5.144 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1OC 729430122 QQIKTCDRLPPPRW-HXUWFJFHSA-N 475.595 5.600 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 729569007 FDCCUHCCJBETMA-JOCHJYFZSA-N 478.593 5.214 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ncccc3C)C2=O)c1 729634671 QPEWZQREQXIYOR-DEOSSOPVSA-N 488.613 5.176 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ncccc3C)C2=O)cc1 729634765 SQSPOTKYEJQOPG-HSZRJFAPSA-N 458.587 5.167 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2ncccc2C)C1=O 729635005 ZAPWMYZLAGMOCC-DEOSSOPVSA-N 488.613 5.176 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)N[C@@H](C)c2cccs2)[n+]2ccc(C(C)(C)C)cc2)c1 729670764 YTBHLROCMREMMZ-HNNXBMFYSA-O 471.624 5.002 30 20 JKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)c1cc2ccccc2n1CC#N 729890198 XFJKBXYFIDRQJO-UHFFFAOYSA-N 475.504 5.798 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1)c1ccccc1 729890297 YAZFSFFSFVUPIV-IBGZPJMESA-N 466.324 5.231 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cocn3)C2=O)c1 730720706 UBBHEWKCAIWAAW-FQEVSTJZSA-N 468.966 5.105 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730932422 HSNSFXNBRFOABY-UHFFFAOYSA-N 458.990 5.313 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)s2)n1 731075549 FCNHCMLUNYYMNY-LBPRGKRZSA-N 478.020 5.572 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccc(Cl)s2)C1=O)Nc1cccc(O)c1 731305455 CRXOCLRMIJGZRD-IBGZPJMESA-N 486.018 5.310 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731306933 FPSWALFUMKWJAW-IBGZPJMESA-N 489.981 5.407 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(C)c(F)c1 731308069 IXYCITRYUPVFEU-QHCPKHFHSA-N 493.560 5.009 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2CSc2cccs2)n1 742974811 MAWKSXIOFBGBKX-OAHLLOKOSA-N 468.581 5.585 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCOC(C)(C)C)C2=O)cc1 746696379 NCJZULUKVIEIHR-HSZRJFAPSA-N 495.645 5.281 30 20 JKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)c(Cl)c2)CC3)cn1 747433560 IDSDWXPJHRUZDJ-LFIBNONCSA-N 474.351 6.001 30 20 JKED CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 750693133 FQBSNGPEBQMARX-UHFFFAOYSA-N 478.593 5.100 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)n(Cc2ccc(F)cc2)c1C 761210769 OMCLYSOCUZWNJM-UHFFFAOYSA-N 474.319 5.266 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cccc2ccccc12 799210658 VLLTZXVTSIYXNU-HXUWFJFHSA-N 482.949 5.382 30 20 JKED COc1c(O)cccc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C\c2cccc(O)c2OC)C1=O 810221249 DGXOIESSMWYIPG-BILXGNRESA-N 467.521 5.406 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 837371313 WKGXAEJBWGWIJM-KOSHJBKYSA-N 490.604 6.066 30 20 JKED CCN(C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C2)ccn1 856629760 FKVSEALTBWIPRS-QHCPKHFHSA-N 490.991 5.144 30 20 JKED Cc1ccc(C(=O)N(O)Cc2ccc(F)cc2)cc1NC(=O)c1ccc(Br)cc1 901375418 HGXIQJJRESQIMJ-UHFFFAOYSA-N 457.299 5.181 30 20 JKED CC(C)c1nn(-c2ccccc2)c(Cl)c1C=Nn1cnc2sc3c(c2c1=O)CCCC3 914554635 ONDIOOPGAKNWDU-UHFFFAOYSA-N 451.983 5.182 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)Cc2cccs2)c1 914690809 FVYJIPXVOLBVAN-FDDCHVKYSA-N 493.654 5.026 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694426 JRSWPUFCRIVRKK-CYFREDJKSA-N 491.613 5.497 30 20 JKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1nc2ccccc2n1C(F)F 914957664 ZNMRDBRJBDRWCK-AWEZNQCLSA-N 481.459 5.072 30 20 JKED COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3cccc(OCc4cccc(C#N)c4)c3)nc2c1 915985257 SFNSVOXWGMUKKW-UUYOSTAYSA-N 471.900 5.310 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C 916214760 AGMNUDDJBHQEII-QHCPKHFHSA-N 461.587 5.145 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)cc1 916214857 PXBAROCSDZTUFR-JOCHJYFZSA-N 495.004 5.294 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2s1 916847942 XGSNNDRTGDGFER-AVRDEDQJSA-N 463.356 6.055 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2C#N)cc1 916906003 GLBOONPWVOUMGW-RUZDIDTESA-N 451.526 5.223 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 916910662 YELDSFFPORSYGG-FQEVSTJZSA-N 487.560 5.221 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 916955652 SOKKXPPJCAXYPG-CRAIPNDOSA-N 490.610 5.048 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 916975291 XCNXSGFVAFJYFY-UWJYYQICSA-N 484.408 5.906 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976965 YMPOENZKKXJOQA-SJLPKXTDSA-N 470.381 5.342 30 20 JKED COc1ccc(Cl)cc1N1C[C@H](C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1=O 917042564 FYOWAOHLJJUVLJ-RISCZKNCSA-N 493.894 5.206 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c2ccccc21 917283626 CDCKNAPUCPVRHH-MHZLTWQESA-N 478.504 5.049 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(N3CCCC3)cc2)C1=O)NC1CC1 917700966 NCTFDMDYNXTIRT-AREMUKBSSA-N 498.652 5.240 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c1 917714296 RRKFIRIDINSVDG-GOSISDBHSA-N 485.478 5.611 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)n(C2CCCCC2)c1C 919369053 XTOIUVASUBTCKN-SJORKVTESA-N 453.505 5.332 30 20 JKED CCN(C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)[C@H](C)c1ccc(C#N)cc1 919998596 JTORKMMDIVDFML-QGZVFWFLSA-N 485.385 6.154 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Cl 920141056 LXHYRDOYCVTDKG-GOSISDBHSA-N 491.001 5.193 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 920174686 DLGBKBQJBVZPSM-MHECFPHRSA-N 470.598 5.292 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2cccs2)c1 920175213 ZUHDCYUWAACZRJ-NRFANRHFSA-N 493.610 5.224 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3-c3ccccc3Br)cs2)cc1 920366421 ONJKQIKPYSSAHT-UHFFFAOYSA-N 486.420 5.222 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805894 HALBXFITXWINQL-BXUZGUMPSA-N 479.371 6.208 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806419 KWFJNJJYSLSEFO-JQWIXIFHSA-N 480.323 5.390 30 20 JKED Cc1cc(C)c(NC(=O)CCCOC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(C)c1 920892776 PTLMJFBBEGWLHN-UHFFFAOYSA-N 472.589 5.582 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 921250532 SKARIEXTKXIMEM-UHFFFAOYSA-N 452.601 5.429 30 20 JKED C[C@H](COCC(F)(F)F)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 921255041 WPPUZKRZOHOOHS-RDTXWAMCSA-N 499.942 5.268 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1786365973 BJVPDOIEXNNSIK-DNQXCXABSA-N 467.009 5.560 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)s3)cc2)CCC1 1786980363 BBMMFBBZFARNLK-AKJBCIBTSA-N 499.608 5.104 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)cc1 1787353262 ITCCHWVXQILSMD-UHFFFAOYSA-N 464.447 5.034 30 20 JKED O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1 1787876640 OOBFHOXZZWWHTC-UHFFFAOYSA-N 462.365 5.545 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)CCC2)c1 1788900657 VWJOSBSPAVVLAI-IBGZPJMESA-N 481.552 5.146 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789074132 OHFJGYKEGDSRCR-INIZCTEOSA-N 466.969 5.370 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3(CC)CCC3)cc2)CCC1 1789205262 FRDBKTFOPVYHTB-WHLCRQNOSA-N 481.637 5.170 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(Cl)n3)cc2)CCC1 1789904872 DBCQTMDJRPGCTL-UHFFFAOYSA-N 450.391 5.055 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)cc2)CCC1 1789990890 VWZJREAEWMUZOV-UHFFFAOYSA-N 461.565 5.767 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)c(F)c4Br)cc3)CCC2)CCC1 1790744406 DJLJSZDDATZVMP-UHFFFAOYSA-N 488.332 5.169 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4coc(Cl)n4)CCC3)cc2)ccc1Br 1790744868 XVABWROGYDICPM-UHFFFAOYSA-N 499.752 5.024 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CC3)cc2)CCC1 1791182586 NBEUPRKHXUODFY-GOSISDBHSA-N 467.997 5.307 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4noc5ccccc45)CCC3)cc2)c1 1792122556 MHNLKPZDGBITFC-LJQANCHMSA-N 478.552 5.445 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)c(Cl)c1 1792378087 VQCAZRJMQYYOEA-RUZDIDTESA-N 469.919 5.705 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@@H]2CCC[C@H]1c1ccccc1N2 1795943014 HQJFGVINUVNFCD-QKITYWFPSA-N 491.752 5.054 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(F)CCCCC1(F)F)c1ccc(C(F)(F)F)cc1F 1797806531 FHJLUKZCHBHQST-IGMJJTELSA-N 480.424 5.014 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1800703053 MRCJOXDEUZJASV-SXPGVMETSA-N 495.664 5.293 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2cccc(Cl)c2c1)c1ccccc1 1801140816 DVCDIXMEHNJGLC-UEQSERJNSA-N 486.015 5.337 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1801639938 ZRGHJDADXLRXRM-XBYSBRQOSA-N 453.586 5.366 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1802493553 WYGAKFIEVZGADY-GMAHTHKFSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1Br 1802510782 JZPSQQWSHXQPSY-TZQMITOMSA-N 459.428 5.093 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1803090947 JUCZPWAMOBOKLT-HYBUGGRVSA-N 475.614 5.090 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803561483 YZBGXMVIRSYMOS-HUROMRQRSA-N 498.067 5.163 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1804176786 VOWUNQVUOPRGQU-HTAPYJJXSA-N 486.062 5.189 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1804844038 OIPPROGOJKVEQI-LEAFIULHSA-N 482.628 5.473 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1805067013 YJFOZQFOINDHIG-JBBQQGGESA-N 486.591 5.304 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)c3ccncc3-c3ccccc3)CC2)C1 1805335109 RGLZQCWPRIAMPX-UHFFFAOYSA-N 498.026 5.299 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4C[C@@H]4c4ccc(F)c(F)c4)C3)CC2)c1 1805615179 JZKUVOZMZMSHCL-CTUHWIOQSA-N 491.582 5.240 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)CCc3ccccc3OC)C2)CC1)c1ccccc1 1805740458 GKWUZJKKCXUZLP-MHZLTWQESA-N 486.656 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2cc3cccnc3cc2F)[C@@H]1c1cccnc1 1808177188 NJMXWRFYETVREU-CUNXSJBXSA-N 488.607 5.010 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808828576 NKDDZYZMOMUCCK-UPVQGACJSA-N 488.657 5.517 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1809402550 KVAHWTQRPDFFSF-BKSPAHHJSA-N 477.008 5.304 30 20 JKED N#CC1(C(=O)N2CCCC3(CCN(C(=O)c4cccc(Cl)c4OCc4ccccc4)CC3)C2)CC1 1809501411 CZLRDFNSZHWBEJ-UHFFFAOYSA-N 492.019 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810175681 XKTNBAFFXMLLDE-IXFSTUDKSA-N 473.951 5.101 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c1Cl 1811709485 DHCNURNQJMVTDB-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1812590726 STRDNQZAPRIRHG-VNZMSGEBSA-N 470.013 5.054 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(OC)c2)[C@H]1c1cccnc1 1813917865 FZMLOMGTHWANCY-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)[nH]n1 1814443291 RFULKIWAYYNYCD-SFHVURJKSA-N 463.504 5.122 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)oc2C(F)(F)F)n[nH]1 1816469060 LWPKRMUYALLSHZ-CRAIPNDOSA-N 464.488 5.404 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817741316 FTZHRIOECXZWNO-JOCHJYFZSA-N 475.618 5.005 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818990913 UYTKHWCITWPITK-OAQYLSRUSA-N 451.546 5.328 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cccc(O)c3cc1OC)CC2 1819604551 MQWDWSIEEFUIDR-ROUUACIJSA-N 491.613 5.005 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c4ccccc4n4ccsc34)n[nH]2)c1 1820099608 VPKZOHFCYLPBJS-JOCHJYFZSA-N 494.580 5.368 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820964588 PUUKGPLREZDVLB-FQEVSTJZSA-N 492.686 5.003 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1820970811 MZRZXHJFYQWIJY-ZHRRBRCNSA-N 496.999 5.027 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1821986268 RLZGVSMSYJIIKZ-OAQYLSRUSA-N 479.531 5.297 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@@H](C)c3ccccc3)n[nH]2)c1 1822046146 USINLVHDUVOAOA-NTKDMRAZSA-N 455.562 5.090 30 20 JKED Cc1ccccc1CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1822058609 DPEXKYVMUCYFQR-CPJSRVTESA-N 469.589 5.284 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occc4c3O)[nH]n2)c1 1823216613 LZEPPSBGRXLROZ-AOMKIAJQSA-N 483.528 5.108 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1)c1ccc(Cl)cc1 1823374564 FCWSYOPLCLAQCA-UNMCSNQZSA-N 468.001 5.189 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)c1Cl 1823890301 TZEUMWRWIZLNPA-IBGZPJMESA-N 450.410 5.085 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3C)CC2)c1 1823911526 ALHYJWHJBMJNKB-VWLOTQADSA-N 480.008 5.076 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Br)CC1 1823929866 LMSRKDRFORCEBV-QFIPXVFZSA-N 477.418 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(OC)cc2Cl)CC1 1824139809 RVAWGQQKSWKFQS-VWLOTQADSA-N 473.057 5.279 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(O)cc3)CC2)CC1 1824222902 NOSPTQIJCICHHT-DEOSSOPVSA-N 452.639 5.036 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681797 RMMZGZBTUGKRST-NEQMZLFVSA-N 485.049 5.382 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1)c1cccs1 1827683189 WSMRIKSITCSDOX-IBDYFIJFSA-N 493.654 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1827727036 QVEAETSWNLLEDO-AREMUKBSSA-N 492.664 5.311 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCC([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828468072 XOPJZJCSPKHYCF-GOSISDBHSA-N 494.451 5.420 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828507865 FETDVEXRLFHNMF-DEOSSOPVSA-N 481.434 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1 1828829600 JUJWKDPDZCBMBP-UIOOFZCWSA-N 451.655 5.019 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)cc2n1 1828905354 OTWUOGATOVZCCQ-DEOSSOPVSA-N 493.724 5.421 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)oc2ccccc12 1829690237 RQZGNEIFTJHTJA-QHCPKHFHSA-N 490.003 5.813 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1)c1ccccc1 1829950138 CVUOLFQZZXSILH-KAYWLYCHSA-N 457.618 5.231 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)cc1C#N 1830028655 GVJXUIHCPGYJMK-VWLOTQADSA-N 494.035 5.546 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)cc1C#N 1830351405 LYLQIWOYHLHKSR-ITMPFJHPSA-N 477.649 5.325 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536012 ZJBVNHGXGSKCDJ-QUCCMNQESA-N 474.564 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1830582563 DSOHVGWXZCXVCU-UQBPGWFLSA-N 495.570 5.462 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1830681570 RUWZEVJIPNLLFV-CLJLJLNGSA-N 494.676 5.486 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c1 1830992404 NEYIUZRDEJAPMR-RXFWQSSRSA-N 469.585 5.607 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1831447909 ZDLKAIOZCOECGX-GOSISDBHSA-N 460.899 5.063 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1832029862 TVLLBUHMLOSGTB-VWLOTQADSA-N 486.616 5.250 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1832373341 RUYCHLGFHIETBY-XZOYJPPVSA-N 456.030 5.271 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccs3)CC2)cc1C#N 1832702833 OIRRRLPYUOXNDI-VWLOTQADSA-N 493.673 5.273 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCC3)CC2)cc1C#N 1832702920 PMERWJHNCXMIET-RUZDIDTESA-N 465.638 5.159 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)CCC1 1832784515 WBJGSGPPIUDELT-IBGZPJMESA-N 470.038 5.482 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CC1 1833076249 MGOUPOMDCZOYFE-UHFFFAOYSA-N 479.709 5.062 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)CC1 1838250926 CXSKJQOPUANKCB-QFIPXVFZSA-N 484.040 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)CC1 1838373355 KIYNQGJWWDQYAA-RUZDIDTESA-N 458.687 5.360 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C)cc(C)cc3C)CC2)CC1 1838424200 UEYWOLIWOKPTKH-UHFFFAOYSA-N 454.655 5.216 30 20 JKED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)C1)c1ccccc1 1844635599 CYTMJFHZURUZTH-XMMPIXPASA-N 491.591 5.442 30 20 JKED N#CCSc1nnc(COc2ccccc2-c2ccccc2)n1-c1ccccc1C(F)(F)F 9023039 KJQWZFNZQWBHDB-UHFFFAOYSA-N 466.488 6.148 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041617 JOZLOGZCVFXRDV-UHFFFAOYSA-N 461.612 5.062 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)c(C)n1C 10172384 ICHJELZJMMWOOM-UHFFFAOYSA-O 456.591 5.773 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccccc2CC)cc1 10174267 FSRXXGKKZYGPBV-UHFFFAOYSA-O 468.440 5.912 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1F 11082944 YYQUNZUOMHJCMA-UHFFFAOYSA-O 491.558 6.342 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)c1C 11153128 JBYLCBJFIAUZPZ-UHFFFAOYSA-O 490.527 5.165 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCOc2ccc3ccccc3c2)c1 16142231 WLQDEMGFGZPZDG-UHFFFAOYSA-N 481.577 5.251 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1Cl 20412984 QGQSQSVLFSGXHD-OAHLLOKOSA-N 491.444 5.806 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccc(OC)cc1 23998293 SZGXGLTZMDWJCA-FQEVSTJZSA-N 475.618 5.184 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(OC2CCCC2)cc1 33167039 JKZZJXVUYBILEI-UHFFFAOYSA-N 459.340 5.058 30 20 JKED C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)c1ccc(C#N)cc1 33179110 FUMYCJNQEAFQQY-ZDUSSCGKSA-N 464.308 5.157 30 20 JKED COc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OCc1ccc(Br)s1 33246105 PPPSXDGVSTWTSD-UHFFFAOYSA-N 457.349 5.417 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cccc(Cl)c2C)c1 36281006 MJGFJPIVJSWZEM-UHFFFAOYSA-O 454.959 5.512 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccoc1C 36802900 WQLGCNCQACVDLU-OAHLLOKOSA-N 451.577 5.275 30 20 JKED Cc1csc(Sc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)n1 108023005 DMGICXKSMIUITB-UHFFFAOYSA-N 491.598 5.578 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c1 108724572 OPYNNQAMEBXKII-UHFFFAOYSA-N 468.376 5.930 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H](C)C2CC2)c1 195533762 LOEJWNGGSOHMGY-KRWDZBQOSA-N 459.011 5.124 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1 303210321 RATULENTGVACFC-DEOSSOPVSA-N 498.627 5.201 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(F)cc1 481619184 BGHLEBPLWKZXTG-DEOSSOPVSA-N 473.483 5.060 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(NC(=O)CC)ccc2Cl)nnc1-c1ccc(Cl)cc1 500896322 XYZWRBKDGRULNJ-UHFFFAOYSA-N 490.416 5.517 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 501147062 BVMFYEOEFJLXMS-UHFFFAOYSA-N 470.953 5.056 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 508242544 NALYYLWWXQTMBU-QGZVFWFLSA-N 461.518 5.649 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1Cl 510211661 VRMXYADSPUIXNU-ZJSXRUAMSA-N 494.378 5.187 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 512034790 JLBGSTQWJGZJIB-UXHICEINSA-N 456.615 5.566 30 20 JKED COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C#N)c(Cl)c2)c1 514516641 RJVMPYIUDHBIEW-UHFFFAOYSA-N 451.935 5.203 30 20 JKED C=CCc1cc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)cc(OC)c1OC 515620295 MIKLYBDVYYDEIK-HDICACEKSA-N 450.579 5.111 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 515625817 FFSWCBFBTIFTLI-UHFFFAOYSA-N 483.538 5.041 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1 517392720 SCHJFYUNGNMSOX-UHFFFAOYSA-N 456.489 5.722 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3S[C@@H](C)CC#N)[C@H](c3ccco3)C2)cc1 517534928 KQVPYKYHKUWWIH-MBSDFSHPSA-N 474.586 5.472 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 517800974 TZNBZFOUKIWFHZ-JOCHJYFZSA-N 453.523 5.561 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1cccc(Oc2ccccc2)c1 518156061 VPNPQXOLMOGJBC-UHFFFAOYSA-N 499.514 5.758 30 20 JKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1nc2ccccc2o1 518516648 QOEZIODWTRGYHD-HXUWFJFHSA-N 452.901 5.883 30 20 JKED C=CCN(C(=O)c1nnn(-c2cccc3cnccc23)c1C)c1nc(-c2ccccc2)cs1 518703653 WCHSPLBVKDKHKK-UHFFFAOYSA-N 452.543 5.080 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 518754385 IUHVFQOBCQYRHH-RDJZCZTQSA-N 459.413 5.244 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 520855709 YJRKMSOESMLULK-LBPRGKRZSA-N 457.909 5.239 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(CCC#N)CCCN(C)C)cc12 521518709 HWIJJBYKCZTESX-UHFFFAOYSA-N 478.449 5.069 30 20 JKED N#Cc1c(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)sc2c1-c1ccccc1CC2 524331684 WJFCVNKXEAXHFM-UHFFFAOYSA-N 455.583 5.444 30 20 JKED O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586177294 GEQOGORVBXOEBY-MMRBFQBLSA-N 462.356 5.770 30 20 JKED C=CCOc1ccccc1C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 588924498 WSLDNBYWPFZXKJ-HSZRJFAPSA-N 456.542 5.312 30 20 JKED C=CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2c(s1)CCCC2 598951924 UOHZQTCYTSDSQU-UHFFFAOYSA-N 457.499 5.260 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 603763617 ZICWRPOUCUASHL-UHFFFAOYSA-N 469.488 5.701 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 603891697 JAJWZLMYIBCUNU-UHFFFAOYSA-N 485.540 6.151 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)o1 603962703 UERRDRYDWQGNFP-UHFFFAOYSA-N 469.472 5.052 30 20 JKED CCCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604507440 NTSIVHLGGAHPJF-XMMPIXPASA-N 475.976 5.381 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 608785232 BHHBQFXRRYJARF-UHFFFAOYSA-N 484.531 6.550 30 20 JKED Cn1c([C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2ccccc2)nc2ccccc21 608793785 URYVYNKIXQDXBZ-AREMUKBSSA-N 474.524 5.543 30 20 JKED CC(C)(C)c1nc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cs1 608847350 KXCNVEONQGBQTO-UHFFFAOYSA-N 464.538 5.560 30 20 JKED CCn1c(SCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 609028529 BKTYEFCKHAINJI-QHCPKHFHSA-N 456.571 5.108 30 20 JKED N#Cc1ccc(CNC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c(F)c1 609254119 IFLKKXHYVAFPIH-UHFFFAOYSA-N 456.399 5.290 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N 609404536 DYHAUAGGXUCNQH-CQSZACIVSA-N 485.034 5.594 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 613968899 OVIVZNOFECOCML-UHFFFAOYSA-N 460.480 5.151 30 20 JKED Cc1cccc(-n2ncc(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2C(F)(F)F)c1 618301090 JQJZBSOUHIMRAK-TXEJJXNPSA-N 473.339 5.402 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618554973 AQYMRIJEJLSWGS-HUUCEWRRSA-N 494.455 5.699 30 20 JKED N#C[C@@H](C(=O)c1cc(Br)c2c(c1)OCO2)c1nc2cc(C(F)(F)F)ccc2s1 619753846 XQMAWVVVLRXXHO-JTQLQIEISA-N 469.238 5.296 30 20 JKED Cc1c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 622477452 AGOGBYIDQCRMHZ-KRWDZBQOSA-N 474.380 5.216 30 20 JKED O=C(c1ccc(OC(F)F)cc1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517009 XIUZGCYNSLRZKO-INIZCTEOSA-N 469.328 5.539 30 20 JKED Cn1ccnc1[C@@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccc(F)cc1 642339789 STUVFCKABRLWGF-HKUYNNGSSA-N 461.381 5.310 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 726136289 GLAXGJLXAOWAOS-UHFFFAOYSA-N 482.290 5.054 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(F)c2)cc1F 726410273 GVNLEGGGLLGZNF-QFIPXVFZSA-N 481.524 5.134 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCC(C)C)cc1F 726412807 UGKJKBHWKJQSGG-JOCHJYFZSA-N 485.581 5.043 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 726414798 FAWRFBKJPXLGSN-NTKDMRAZSA-N 488.613 5.590 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)cc1 726415137 IEHHUNLBSRRWOU-OAQYLSRUSA-N 498.605 5.230 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C(C)(C)C)CC1)c1cccs1 726421508 NFYIBJYKJAUPLQ-HRQGHCQOSA-N 498.718 5.401 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\[C@H](C)c1cccs1 726421732 PCDOKLHTTLTSAN-RMHAOICISA-N 466.415 5.078 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726423140 ZODYZAPTZVSZEF-WJHGXSDNSA-N 492.601 5.349 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 726571372 FSAIGAJLYQBYJX-UHFFFAOYSA-O 465.942 5.293 30 20 JKED CCc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1 726572531 ZQQCYCUVDCTYTQ-UHFFFAOYSA-O 460.623 5.341 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc1-c1cccc(Cl)c1 726733588 ZNCOMFAHILPBQN-OAHLLOKOSA-N 463.773 6.645 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2cc(Br)cc(Br)c2o1 726754881 VTEAJXGIODNPOO-UHFFFAOYSA-N 499.162 5.707 30 20 JKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 726762602 MDZYMOYHMUBEDV-UHFFFAOYSA-N 494.016 5.227 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1Cl 726891445 OCTUFMGBSHQTJC-GOSISDBHSA-N 497.926 5.490 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCC)Cc2ccccc2O)c1 727170761 YCQNZGGVXVWAEF-UHFFFAOYSA-N 499.032 5.479 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 728778095 QDFYKEBAZLQBMS-HSZRJFAPSA-N 474.561 5.633 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccccc1F 728778931 VWZNKIKUJALTMB-IBGZPJMESA-N 493.391 5.787 30 20 JKED CCN(C)C(=O)c1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)c1 729125922 SRDAIGVMAJXDMT-LJQANCHMSA-N 495.645 5.048 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(Cl)c2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729145048 HJPIMWQBODYMTQ-UNMCSNQZSA-N 490.000 5.097 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 729634621 PBILRENURGLMFQ-NRFANRHFSA-N 482.968 5.343 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CCC3)C2=O)c1 730458584 AQMAYYGBEDENDD-LJQANCHMSA-N 477.508 5.227 30 20 JKED C=CCn1c2ccccc2n2nc(C)c(C(C)=NNc3cc(CC)nc(-c4ccccn4)n3)c12 730463899 WQBKQJYQRAKERE-UHFFFAOYSA-N 450.550 5.034 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2cc(Br)cs2)n(C2CCCC2)c1C 730647173 ADXXYPRPAQHGAD-UHFFFAOYSA-N 478.412 5.030 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c(C)c1 730713367 SEOAXIUAWRHVRS-OAQYLSRUSA-N 482.993 5.414 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944642 YXCIIKDVZGBWSU-CYFREDJKSA-N 488.613 5.510 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 731192673 JVYYAFMSUHKHDD-CAPFRKAQSA-N 485.656 5.075 30 20 JKED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 731278224 NMPNJECWXSGUPR-IKRTZVAJSA-N 482.650 5.112 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1Cl 731306716 XIKGPETXWQSZGR-QGZVFWFLSA-N 452.363 5.069 30 20 JKED N#CCCN(C(=O)COC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)c1ccccc1 731377079 NNRHTSWBAKOOKM-UHFFFAOYSA-N 451.482 5.112 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2oc(C(C)C)nc2C#N)cs1 745624621 LXFAMEHQLOPMPR-UHFFFAOYSA-N 462.457 5.276 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748619386 CQFIZQRWQLVYJL-UHFFFAOYSA-N 460.446 5.017 30 20 JKED Cc1csc(SCc2ccccc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 749148809 KHJNWGZEKISYAM-UHFFFAOYSA-N 476.627 5.106 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3SCc3ccccc3)CC2)c1 749327699 IQZHENKSGYSMBS-UHFFFAOYSA-N 470.598 5.733 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(CC(F)(F)F)C1=O 799215566 UYLLZRAGTUJPSS-HXUWFJFHSA-N 493.551 5.615 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 837480457 HTCWWRUCNQFRQE-VFNWGFHPSA-N 482.968 5.596 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc(OCc4cccnc4)cc3)no2)CC1 904463967 DZCSAXAWICLADP-UHFFFAOYSA-N 494.511 5.214 30 20 JKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 914860418 TWQHTKTXDMBVGI-UHFFFAOYSA-N 472.467 5.090 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 915102641 BPEMROVIXKCHMR-MRXNPFEDSA-N 491.396 5.952 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915863112 SQKCEUDWTPISTH-SANMLTNESA-N 454.961 5.979 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cc2c(cc1Br)OCCO2 916708264 QMIOLWVAQQJFQS-IIBYNOLFSA-N 492.373 5.758 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc2ccccc2n1 916849798 SJTNQEHLHNIPDF-QFIPXVFZSA-N 484.353 5.669 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 916912859 SKVNESJGMIBQNE-MRXNPFEDSA-N 475.763 5.339 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 916914849 WHQVDGDSVUBSLM-SFHVURJKSA-N 452.605 5.090 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cc1Cl 916938727 CLNDZEXEVVWERA-INIZCTEOSA-N 475.954 5.356 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)OCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996197 HYDUBNKDTVEBIX-GOSISDBHSA-N 488.396 6.000 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 917041462 SOFXIDLRZAAWMD-NRFANRHFSA-N 484.506 6.397 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]2c2ccccc2)ccc1Cl 917139748 FFPYYVDJVVFDTH-HSZRJFAPSA-N 466.990 5.309 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)cs1 917564061 VSYFLKHVFYPXHD-NDENLUEZSA-N 462.600 5.645 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(Cl)c(Cl)c1 917657785 QZRBLHFZGGTBIE-HXUWFJFHSA-N 494.444 5.188 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)cc2Cl)s1 917679858 WZHKDBICSXACCH-QGZVFWFLSA-N 468.431 5.164 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2Cl)n1 917680114 CMGBPRWKGITZSH-OAQYLSRUSA-N 464.978 5.204 30 20 JKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)c1 918329488 CRKHIVFBVACYFM-UHFFFAOYSA-N 476.561 5.204 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)cc1 920141589 FTDUSTZNCPYTHH-KNQAVFIVSA-N 467.550 5.201 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1 920235321 QZIJOHNCGOHWFA-XMMPIXPASA-N 452.489 5.990 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)c(F)c2)C1=O)Nc1ccccc1F 920356276 RTPATQIOZASUPP-OAQYLSRUSA-N 487.478 5.404 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)SC2=Nc2ccccc2)no1 920356380 UCNCYHIYGNWMRL-LJQANCHMSA-N 489.384 5.450 30 20 JKED C=CCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)SC1=S 920397351 LRVWULKZVDJNIW-DHDCSXOGSA-N 469.535 5.234 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3-c3ccc(C)cc3)CCO2)C1 1779244683 UQYAUWGKSFFGJH-GDLZYMKVSA-N 460.618 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(F)c(Cl)c2)C1 1781116165 DLCOZNBXCQCRJA-NTKDMRAZSA-N 485.427 5.252 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5[nH]ccc5s4)CCC3)cc2)cc1 1785881616 DUZFCIXOXKQZBD-UHFFFAOYSA-N 454.555 5.091 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1786551430 KJKGVDHVRNWCNU-JTAQYXEDSA-N 483.653 5.416 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3C(=O)OC(C)C)cc2)CCC1 1787046738 TYXUDIBTCQUVQW-JOCHJYFZSA-N 475.589 5.163 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)C4CCCCC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1787626686 AMAVPAZINXNTCQ-QHCPKHFHSA-N 481.637 5.266 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc4sccc4[nH]3)CCC2)cc1 1788650857 YELDRXYSJKSPHX-CMDGGOBGSA-N 475.595 5.478 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789457940 HOXXPDPTMCFQPH-URXFXBBRSA-N 495.664 5.536 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(C)c1 1790345786 GGPNVJHKEKPMHG-UHFFFAOYSA-N 453.542 5.131 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)Cc4cc5cccnc5cc4F)cc3)CCC2)cc1 1790473334 SZLBRYOXNUDPCP-UHFFFAOYSA-N 492.554 5.165 30 20 JKED CC(C)(C)OC(=O)CCCCCCC(=O)Nc1ccc(C2(NC(=O)C(C)(C)C#N)CCC2)cc1 1790562041 VEXRFYDWFSNBJY-UHFFFAOYSA-N 469.626 5.353 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791726225 IQQZYBUQDFHIRC-HSZRJFAPSA-N 481.637 5.104 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c(C)n1C 1792124860 MTOWAFKKYYPCJQ-GOSISDBHSA-N 454.574 5.331 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc[nH]c5nccc4-5)CCC3)cc2)cc1C#N 1792168663 SMFNDZCBSMEBJV-UHFFFAOYSA-N 493.567 5.235 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3=CCCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204009 GUYVNWMVHMEGPW-QFIPXVFZSA-N 467.610 5.090 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)c(C(F)(F)F)c4)CCC3)cc2)CCC1 1792234284 MICFQPSIMURPKX-UHFFFAOYSA-N 459.443 5.286 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CCC2)cc1 1792268565 OGHYMRMAXDHVRR-HXUWFJFHSA-N 489.616 5.433 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(-c3nccs3)noc2c1 1797972041 KKINHMWGEXQGPI-REPLKXPHSA-N 478.618 5.196 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)cc2)C3)cc1C#N 1803845572 MEBOZEKPAQCXMI-OUOZDZGXSA-N 493.607 5.578 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(C(C)(C)C)nc4)C3)CC2)c1 1804714583 FDYSNGFFUMXYFJ-OAQYLSRUSA-N 472.633 5.165 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1)c1ccccc1 1805528090 WXLUTGFSPSFRSI-WRALFONMSA-N 492.044 5.313 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1)C(F)(F)F 1807477789 SUZVFYCMEZHGMU-ILBGXUMGSA-N 487.566 5.181 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808155242 DFRJHPOEHNHTLU-CPJSRVTESA-N 493.051 5.837 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(OC)ccc3o2)[C@@H]1c1cccnc1 1809711651 DBFLFHWLLHCHQX-NLFFAJNJSA-N 475.589 5.148 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3cnccc23)[C@H]1c1cccnc1 1809921001 LJBHHLVUZJNZPT-UFHPHHKVSA-N 498.703 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@@H]1c1cccnc1 1810168598 JVHJXJFFWIRTNP-DANFDKMISA-N 498.627 5.173 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810534856 FZXNOBDKGGVMGH-MZKUHISZSA-N 477.674 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1811132410 QMWWCOSXYXMELP-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1)C(F)(F)F 1812682150 CTWDALRUPDBWLZ-BEFAXECRSA-N 486.321 5.135 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1)C(F)(F)F 1812683175 KVMZFFFAPNSVHL-ZEQRLZLVSA-N 479.502 5.187 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1815249275 RCGRUZLGGGYBMN-QAPCUYQASA-N 473.401 5.116 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4c(C)cccc4[nH]3)[nH]n2)c(O)n1 1816241406 HYRFXCWYCGGHMN-DEOSSOPVSA-N 498.587 5.038 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1816463030 RJVIWQFYRGPCAE-JOCHJYFZSA-N 473.577 5.294 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)[nH]c2c(Cl)cccc12 1817946479 YYRVHKLYPDABFX-NRFANRHFSA-N 486.963 5.344 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2ccccc2F)[nH]n1 1819303165 QUFNAJIKGLZKEG-REWPJTCUSA-N 452.574 5.332 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821180398 TWKJJEKXJLLGGQ-OXQOHEQNSA-N 479.631 5.024 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c1 1821324030 IYWWJSBEBYNUBF-IBGZPJMESA-N 459.531 5.017 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)[nH]n2)c1 1821324901 HRRXZZIHHMGLFI-AREMUKBSSA-N 490.567 5.272 30 20 JKED C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(OCc3ccccc3)cc2)C(C)C)n[nH]1 1822254623 VJNHVDZYGQYBBO-LSYYVWMOSA-N 484.600 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cncc(C(F)(F)F)c2)n[nH]1 1822657144 PVDZRTXUHWHYOU-TZIWHRDSSA-N 489.542 5.217 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1824051314 HYRUZJZQSINIHX-SANMLTNESA-N 496.026 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)nc3F)CC2)c1 1825376904 QVPNAKACKMGILD-HTAPYJJXSA-N 482.987 5.048 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827335331 WJQHOQCLPFAWMY-HHHXNRCGSA-N 489.660 5.273 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)cc2c1 1827682864 PQKSDLOEQWWHQO-HBRDYDSTSA-N 489.641 5.210 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1828904840 AVKDLHZTCKTLII-NRFANRHFSA-N 496.646 5.583 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2OC)CC1)c1ccccc1 1829033379 VMLVJMDFMLXXGQ-DNQXCXABSA-N 478.658 5.187 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1Cl 1829688635 DVHOEMXBPNZLIV-LJQANCHMSA-N 481.946 5.178 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cccc2F)CC1)c1ccc(O)cc1 1829892596 UYAYSSQBDKPDCS-GJZUVCINSA-N 494.582 5.101 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829955378 PFUDQQYNZJVCLR-VWLOTQADSA-N 482.584 5.069 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829956900 WXKPMCYFELASOS-HHHXNRCGSA-N 457.618 5.158 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccc(Cl)cc1 1830358966 LPUNNZXBSKFRQB-NIYFSFCBSA-N 496.026 5.317 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1830417175 TTXMVXOXUDWXHL-JXFKEZNVSA-N 468.425 5.028 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830472621 WZUOSSKQGPMQSH-QFIPXVFZSA-N 479.086 5.280 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)c(C)c1 1830696767 NPTYQIRDSMPUPT-SANMLTNESA-N 473.617 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1830780096 HVQQQSOCKQCMOG-VWLOTQADSA-N 495.664 5.259 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1832030648 WJTPBTUZKUBQNN-VWLOTQADSA-N 456.602 5.040 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635072 SRAVIYFLRPQXCX-IBVKSMDESA-N 489.660 6.060 30 20 JKED CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1)c1ccccc1 1832635177 WGZFNYUFRBIVPV-WWEDSPNTSA-N 471.645 5.741 30 20 JKED Cc1cscc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703847 VVAPCHBZKVOYQC-XMMPIXPASA-N 479.646 5.263 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2F)C1 1846881688 JWBKKECECHQPKP-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)nnc1-c1ccccc1 9448442 FTGGPSLHRWKNCM-GJZGRUSLSA-N 463.632 5.407 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccc(N(C)C)cc2)c(C)n1C 10172383 YQNFEDZKFIDLPT-UHFFFAOYSA-O 499.660 5.839 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 10173828 VCNGOIMHWAOCDO-UHFFFAOYSA-O 469.577 5.999 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nnc1-c1ccncc1 10492614 YTYDVDTYWUQKSJ-UHFFFAOYSA-N 465.598 5.119 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10754603 JLOCPPUEAACHQC-UHFFFAOYSA-O 492.821 6.142 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)c4ccncc4)c3C#N)C(C)(C)C2)o1 11082056 MREGMGPXUKOHQT-FNORWQNLSA-N 473.554 5.490 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 14872518 WTXVTFDQFHMMBI-UHFFFAOYSA-O 478.491 5.129 30 20 JKED CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SC[C@H](C#N)CCC#N)nnc23)cc1 15239581 BONSBERNCWJYEA-ROUUACIJSA-N 456.575 5.083 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Br)cc1 16832630 JRQAUTPNRRSLKQ-INIZCTEOSA-N 471.424 5.630 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1cccnc1 18404789 OSUIQXFIIKNMIU-UHFFFAOYSA-N 459.600 5.408 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccccc1OC 21120584 SYNGXMRDGQDTRJ-ZDUSSCGKSA-N 496.942 5.931 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nnc1-c1ccccc1OC 21729449 POWADFXGUAOVPU-UHFFFAOYSA-N 482.915 5.543 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(F)cc1 22033617 VCACGNLVCYFOPP-CYBMUJFWSA-N 450.461 5.408 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(OC)c2)cc1 22728466 QOBGZTKGZUYISK-UHFFFAOYSA-O 453.653 6.307 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22731011 QSCTUMCVEIBMHQ-UHFFFAOYSA-O 461.651 6.284 30 20 JKED CSc1ncc(/C(O)=N/c2nnc(SCc3ccc(C#N)cc3)s2)n1-c1ccccc1 23258764 SWOGEPNKOOCMFF-UHFFFAOYSA-N 464.601 5.246 30 20 JKED N#CCn1c(CSc2ncnc3cc(-c4ccc(F)cc4)sc23)nc2ccccc2c1=O 23942682 SFCPSFKMVPQRQJ-UHFFFAOYSA-N 459.531 5.023 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(C(C)(C)C)cc2)cc1C 28778698 LMUQOLOIZHLXBE-UHFFFAOYSA-O 476.622 6.156 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 29150270 UHGYLMHWLUURTD-UHFFFAOYSA-N 453.951 5.194 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(C)C3(C#N)CCCCC3)n2C2CCCCC2)cc1OC 29872111 NYASRCZJFJCRDE-UHFFFAOYSA-N 497.665 5.244 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 32788688 KPAAOVKIQCJAIA-UHFFFAOYSA-N 486.645 5.269 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nc2sccc2c1=O 36800036 JZBTUNPQLIMCTB-OAQYLSRUSA-N 477.611 5.433 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nnc1-c1ccccc1OC 36801427 FSWIZCUIVJLHGC-UHFFFAOYSA-N 450.608 5.059 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 78720120 SJGHBVXTBXEHMD-SFHVURJKSA-N 458.612 6.273 30 20 JKED N#Cc1cc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)ccc1OCC(F)(F)F 109884271 MEUWFKLXLJJBQZ-UHFFFAOYSA-N 469.448 5.061 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc(OC)c1OC 116738912 CAZJXZSFWZVIRQ-CYBMUJFWSA-N 451.331 5.229 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c1 303131952 KNKGDSJLQDUFSI-UHFFFAOYSA-N 451.454 5.308 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CCC(=O)N(CCC#N)c3ccccc3)s2)cc1 303358250 PIKPYSCBAYJYST-LJQANCHMSA-N 460.603 5.331 30 20 JKED CCOc1ccccc1N1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 481598834 QACCRNUFZPOPGB-UHFFFAOYSA-N 474.536 5.029 30 20 JKED CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481665118 ZBDYZPSGNXBLTC-UHFFFAOYSA-N 475.524 5.128 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)s2)cc1 487320032 HHEZNHLZKNJCGN-UHFFFAOYSA-N 460.584 5.689 30 20 JKED C=CCN(C(=O)c1cnc2ccc(C)cn2c1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 490585284 FVHOCDLHGVWAEU-UHFFFAOYSA-N 471.369 5.266 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1 494471751 KLFMSCKSEKCMCQ-UHFFFAOYSA-N 483.549 5.190 30 20 JKED N#CCN(C(=O)c1ccc(-c2ccc(C(=O)N(CC#N)c3ccccc3)cc2)cc1)c1ccccc1 497352850 UGDORRVLCIIQAH-UHFFFAOYSA-N 470.532 5.694 30 20 JKED COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OCc1cccnc1 497967459 DEHNWGZPLBHMNM-UHFFFAOYSA-N 481.556 5.316 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c(C)c1 498840490 UVADFXJFMVDTCF-GOSISDBHSA-N 462.623 5.280 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3sc4c(c3C#N)CCC4)oc3ccccc23)s1 499325322 BFQDLNVBVBFILZ-UHFFFAOYSA-N 452.586 5.559 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 502670304 PDRYFMACANFUQJ-UHFFFAOYSA-N 495.414 5.525 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)cc1 503577854 BOFTYXDTNRGLGG-FQEVSTJZSA-N 466.522 5.430 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccccc1 504320021 DEFKWJOBCDDHSQ-HNNXBMFYSA-N 451.621 5.459 30 20 JKED N#Cc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)cc1 504625268 BPKHACSCUAIIGL-UHFFFAOYSA-N 469.353 5.740 30 20 JKED C=CCn1c(SCc2csc(CC(=O)OC(C)C)n2)nc2cc(-c3ccccc3)sc2c1=O 506644467 COVNPKMEYYOKGC-UHFFFAOYSA-N 497.667 5.554 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1 507768764 RNDSGHRVDTXBBX-AREMUKBSSA-N 455.558 5.545 30 20 JKED CCOc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(OCC)cc1NC(=O)c1ccccc1 511146055 PHFFXVAJTJAPLV-UHFFFAOYSA-N 499.976 5.062 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1nc2ccccc2s1 513677225 SPRVNMOKLKVBHX-CQSZACIVSA-N 466.316 5.394 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 515955315 NCWTUJQLXZYNSB-UHFFFAOYSA-N 467.978 5.034 30 20 JKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 516279559 BSIQYZSOINJKKB-UHFFFAOYSA-N 463.537 5.278 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2OCC(F)(F)F)cc1 516540037 XCVCZBIYHDAXJG-UHFFFAOYSA-N 456.489 5.722 30 20 JKED COc1ccccc1[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 517472272 YZTAFZAVJAGJQW-GDLZYMKVSA-N 477.564 6.251 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4cccc(C)c4)c3C(F)(F)F)n2)cc1 517800798 JODCLLAIYKGXSY-SFHVURJKSA-N 482.487 5.822 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 519433086 QAVSHRQZCQLSEA-UHFFFAOYSA-N 499.470 5.353 30 20 JKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2)C1 519511714 YBLLEXNUFVNJKN-AMGIVPHBSA-N 460.622 5.393 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1C 519942269 RHLJGOPXUDAQMG-UHFFFAOYSA-N 487.991 5.895 30 20 JKED COCCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1 521206205 OUBHQCKFMOQEJD-CQSZACIVSA-N 489.416 5.760 30 20 JKED N#C[C@H](C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc(-c2ccccc2)cs1 521703336 DUVDZLTWFIFEDN-JOCHJYFZSA-N 458.564 5.274 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 521730527 MWJWJWMZBPOYPF-INIZCTEOSA-N 475.536 5.448 30 20 JKED N#Cc1ccc(CSCC(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 523443071 QBVJOLDANYDEHZ-FQEVSTJZSA-N 462.402 5.118 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1Cl 589889733 YZXSNGYIOZIBKU-UHFFFAOYSA-N 480.018 5.701 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)C(c1ccccc1)c1ccccc1 603719594 LFLMERPLTBTSMI-FQEVSTJZSA-N 476.536 5.021 30 20 JKED CC(C)c1ccc(-c2csc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)n2)c(C(C)C)c1 603730192 ATOQLKGHDGKWGD-UHFFFAOYSA-N 481.643 5.482 30 20 JKED COc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604136458 HXUHNQOCNNLHJQ-HSZRJFAPSA-N 483.955 5.412 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1 609104376 JIOCOWLKLJTSBI-UHFFFAOYSA-N 467.456 5.572 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(I)c(F)c1 609149441 UGOLJYUEYCOZQR-IUCAKERBSA-N 483.165 5.070 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609431642 RWCOHFSGTQUPRE-OAHLLOKOSA-N 472.545 6.553 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 612941735 RLCQSAGKIUNATK-MRXNPFEDSA-N 471.376 5.778 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCC(N)=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346912 RTDHJRLWCPXWRA-AWEZNQCLSA-N 462.383 5.184 30 20 JKED C=CCn1c(S[C@H](C)c2nnnn2-c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 643092187 WGRLNSCIIGKURN-MRXNPFEDSA-N 472.599 5.140 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/CCc3ccccn3)N(Cc3ccc(C)s3)C2=O)c1 726107784 IELSYFAAQQMMGE-GYRUEZOASA-N 492.670 5.140 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2csc3ccccc23)cn1 726116934 NYNMLRNSAQHKIC-JOCHJYFZSA-N 489.626 5.278 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCCC(C)C)cn1 726117144 SEVHBKUPJHFVNS-GOSISDBHSA-N 496.464 5.606 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CC[C@H](C)OC)C1=O 726394087 SNEOPNRSRNJUDI-UUOWRZLLSA-N 491.613 5.234 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1 726415813 OOWSBVSHYKMFAJ-QFIPXVFZSA-N 469.582 5.516 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2ccccc2CC)c1 726573852 SYOOCKJYNXVKFL-UHFFFAOYSA-O 461.610 6.508 30 20 JKED N#CCCCOc1cccc(/C=C(\C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)c1 726742276 NGVNONNOOSBNHB-MOHJPFBDSA-N 468.509 5.045 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CCCC2)cn1 726890639 WUNOXZMIHIYQLB-QFIPXVFZSA-N 474.586 5.146 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 727589150 LCAULTFUKNTVIV-AOYPEHQESA-N 484.987 5.975 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 727954126 WOXNUZSICAUJIG-XMMPIXPASA-N 481.552 5.246 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(O)c(C)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 728230699 FRDPLALOFZXMLA-QPJJXVBHSA-N 491.496 5.349 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2sccc2C)cc1 728422207 FBTRCQYSDNRKDW-OAQYLSRUSA-N 490.610 5.097 30 20 JKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728670030 XUVXCJWJBUHJJO-CQSZACIVSA-N 499.401 5.462 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)cc1 728775727 AMTHHDMVGCXFNG-QFIPXVFZSA-N 476.602 5.160 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c1 729633903 HJNCHQVYMQXJMB-HSZRJFAPSA-N 494.567 5.446 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 730446232 MZTNDLUVIMSAMH-SFHVURJKSA-N 465.596 5.495 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 730566251 DLKNRMWSYFJNHO-UHFFFAOYSA-N 492.004 5.551 30 20 JKED CSCc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc2ccccc12 731061664 XUWLOPPEYVVLBM-OAHLLOKOSA-N 454.573 5.486 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCn1c2ccccc2c2ccccc21 731072575 MTEORYSXGABBKT-IBGZPJMESA-N 471.582 5.761 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc3cccnc23)cc1 731306246 UJVCKHPXNNGTFN-DEOSSOPVSA-N 496.592 5.409 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cc(Cl)cc(Cl)c1 731309038 PJLCCMMKQNWEHT-IBGZPJMESA-N 491.400 5.353 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)CCc1ccco1 731311066 VTMRURNILUYARZ-WZONZLPQSA-N 477.586 5.275 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)O)c2)cc1 746696721 WFBDYZQQZDZYQY-SFHVURJKSA-N 461.326 5.148 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCCOC3CCCC3)C2=O)cc1 747041671 AOCYWJFDKWYXLS-XMMPIXPASA-N 493.629 5.199 30 20 JKED CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCCCC#N)c3)SC2=S)cc1 747472850 FSUKLFHAYXVCHY-RCCKNPSSSA-N 454.573 5.182 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3)n2)n(-c2cccc(F)c2)c1C 763436846 NOSZQYXFUWNCRB-UHFFFAOYSA-N 474.517 5.024 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCc2cccs2)C1=O 837302293 VMTDBBSJGQJBAW-OAQYLSRUSA-N 483.590 5.099 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(Cl)c(Cl)c1 837527835 AIJCPXPTPCXHOR-APWZRJJASA-N 478.401 5.133 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)COc1ccc2c(C)cc(=O)oc2c1 914521201 WXBLKFTWMQIOER-UHFFFAOYSA-N 456.473 5.033 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N([C@H](C)c2cc(C)sc2C)C1=O 914691820 TYAOXRNBVCOUMV-ACJLOTCBSA-N 450.029 5.156 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 915086094 RFOCXSKUMIQADH-OAQYLSRUSA-N 464.422 5.938 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 915086182 HPXFMZCGSAWIHD-QHCPKHFHSA-N 452.539 5.232 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)n2)cc1 915099923 GSIIBUSGEYZGSP-SRLUVNLFSA-N 455.583 5.247 30 20 JKED CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102643 BTIYRSUURONAMR-NQIIRXRSSA-N 497.407 5.522 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102754 GNFCYGKWFBVNFU-INIZCTEOSA-N 494.350 5.782 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CC3CCC3)C2=O)c(OC)c1 915112413 YWDZJKKWCYUPIW-NRFANRHFSA-N 488.009 5.118 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3SCc3ccccc3)CC2)cc1 915329799 JQJOAKQPVYLNNR-UHFFFAOYSA-N 456.615 5.590 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)C[C@@H](C)O1 915351755 BZAOHYDCQZCCFM-RZIGYZOXSA-N 468.601 5.273 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(Cl)cc1 916213138 ZSDFGOMDTYTPKG-QGZVFWFLSA-N 479.345 5.048 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(Cl)cc1Cl 916215786 ZBQWFOYQHKHBGE-GOSISDBHSA-N 464.374 5.148 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O 916272845 KVJXMJKIDILXMZ-UHFFFAOYSA-N 475.313 5.236 30 20 JKED N#C[C@H](C(=O)CCCCc1ccc(Br)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916886005 BQGUDJHWZTVCLG-GOSISDBHSA-N 481.362 5.824 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1 916948645 IRYDPRHJGOLXQC-QVKFZJNVSA-N 465.351 5.109 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 916971856 FIKUAFRNZACNIB-QHCPKHFHSA-N 493.654 5.013 30 20 JKED N#C[C@@H](C(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995243 CVJJPIGJTQXSPK-HNNXBMFYSA-N 464.355 5.994 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc2cc(C(F)(F)F)ccc2s1 917044215 RIMVFDKDKPBDLT-SFHVURJKSA-N 456.489 6.033 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 917047510 ZCTBBVYRNUYVTD-HZPDHXFCSA-N 476.783 5.156 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)c1 917430188 GOURRUDGGNFWIH-QAPCUYQASA-N 486.519 5.744 30 20 JKED CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CC2 917559636 LJCLUJCKHAXIFX-SFQUDFHCSA-N 463.559 5.162 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2ccsc2)C1=O 917660946 SBBAYNAQNZNDRW-JOCHJYFZSA-N 479.627 5.534 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccnc(C)n2)c1 917668583 CFSRRVMRBPZSHG-QFIPXVFZSA-N 494.020 5.216 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 917697117 WNVFEFASCYPQRA-OAQYLSRUSA-N 496.589 5.006 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl 920016553 FULDIHNLTURMHW-UHFFFAOYSA-N 483.977 5.078 30 20 JKED CCCCCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 920106506 QNFXJLNYPPKBHH-HXUWFJFHSA-N 463.603 5.654 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O 920169860 ILOXHTWPJQIBKP-FQEVSTJZSA-N 497.960 5.100 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 920974729 FCDBBSDKMAPBHW-SBUREZEXSA-N 474.948 5.835 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)C1 1785810206 DORGMUOEPORBFQ-UHFFFAOYSA-N 453.464 5.291 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)cc1 1785880253 AFYFSUQGQMVCTH-UHFFFAOYSA-N 467.447 5.160 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3c(Cl)ccc(OC)c3F)CCC2)cc1 1786369932 DMFQQZFBXAVRHG-UHFFFAOYSA-N 488.987 5.147 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786370832 FXXCWAPKQBPGQS-DOSFMOCYSA-N 473.617 5.090 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cscc3C)CCC2)cc1 1786546048 AOLGFHMEVVASDO-OAQYLSRUSA-N 483.634 5.274 30 20 JKED Cn1cc(F)cc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1788851276 ADNLIZRNPDLHNF-UHFFFAOYSA-N 484.453 5.116 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cn5cc(C(F)(F)F)ccc5n4)cc3)CCC2)C1 1789287954 IXHUEYGHEXOESE-UHFFFAOYSA-N 468.479 5.067 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1789448516 BFLYJHBFYQNRQB-DNQXCXABSA-N 495.664 5.582 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccn4)nc3)CCC2)cc1 1789624073 HOHPIPCEXOJXDN-UHFFFAOYSA-N 469.589 5.279 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C(C)(C)CC(=C)C)cc2)CCC1 1789628523 XJNSXMGUEXBKSQ-QFIPXVFZSA-N 481.637 5.030 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790255952 HIUNJPFBROVCIL-UHFFFAOYSA-N 476.536 5.583 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](CCCC#C)NC(=O)OC(C)(C)C)cc2)CCC1 1790471810 VFDYNRLIIGUHKA-XMMPIXPASA-N 493.648 5.011 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1 1790569136 CGXGGIKRSLUXCC-ZHALLVOQSA-N 467.532 5.290 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1 1790569296 JZQHVRINFWOVAO-HNNXBMFYSA-N 479.474 5.393 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4-c4ccccc4)CCC3)cc2)cc1 1790706702 QJCCZDCHYRHDED-UHFFFAOYSA-N 486.575 5.876 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5c(Cl)cccc5n4)CCC3)cc2)cc1 1790707125 DTEROWWSNCWXRA-UHFFFAOYSA-N 483.959 5.115 30 20 JKED Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1 1790745200 HDFFEKVKWVMVPG-UHFFFAOYSA-N 489.373 5.086 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791251356 DTZRFYDKWMKLMV-NYVOZVTQSA-N 469.626 5.026 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)C[C@H]5C[C@@H]6CC[C@H]5C6)cc4)CCC3)c2c1 1791324932 DMNJJAYAQSULBQ-YZGWKJHDSA-N 467.573 5.009 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cc3)CCC2)C1 1791498568 VXLBSQZUYBYYEU-JOCHJYFZSA-N 469.626 5.026 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)cc2)CCC1 1791520414 SQUNANWWBXWGFQ-XMSQKQJNSA-N 469.626 5.026 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)cc3Cl)cc2)CCC1 1791521691 MMYLYQCSEOBFAE-NTUHNPAUSA-N 468.981 5.176 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5c(c4)CCO5)CCC3)cc2)c1 1792126927 OJYXASIUGITEPC-HXUWFJFHSA-N 479.580 5.239 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1)C2 1792572597 INPMHJLJQBQSBR-BKFWDETESA-N 497.680 5.298 30 20 JKED CN(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)c2ccccc12 1797466515 BEGVPXZVQIDPFF-NUNAXRQHSA-N 489.736 5.209 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C2 1798420632 FPJXDACRWBGCLF-BCDXTJNWSA-N 482.594 5.147 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(-c3ccccc3)s1)C2)c1ccccc1 1798555239 DWEACMHXPKCPRB-ZFFYZDHPSA-N 483.637 5.259 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2c(Cl)c1OC 1799336469 LPLJSKOKZYANTD-ACDBMABISA-N 469.025 5.746 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cc(Cl)ccc2Cl)c1Cl 1801468924 IRUHLOGCYAHRSR-REPLKXPHSA-N 490.818 5.403 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c3ccccc3c1)C2 1801639831 RUSRTCQTGSHQDB-GEALJGNFSA-N 455.396 5.066 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1802500395 NHDTXHQSGMEHQH-GBXCKJPGSA-N 484.040 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccccc3)CCCC2)[C@H]1c1cccnc1 1802874997 MUNISBJUCYUZFT-ZRJLEYOISA-N 471.645 5.368 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cc3cccc(F)c3)cc2)cc1 1803945205 ZKYUVWXEFYJNTC-OUOZDZGXSA-N 481.571 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1804166315 HKJMUMXZTVRZNA-FVVBACEJSA-N 483.612 5.088 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1805061200 OTWBFCJKCDSTER-YIXXDRMTSA-N 486.591 5.304 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H](S)C(C)C)C3)CC2)c1Cl 1806067665 ZSAGWLAZLMRBIM-IBGZPJMESA-N 457.467 5.101 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@H]1c1cccnc1)C(F)(F)F 1806449393 CXJUEDCGRNLLAP-VQROGVPDSA-N 473.539 5.036 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1809201830 TWDPNEJGRQCRQY-QPPBQGQZSA-N 477.605 5.523 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)no3)C2)CC1 1810375363 GFQXBBYSDDYRGY-UHFFFAOYSA-N 484.040 5.832 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2F)[C@@H]1c1cccnc1 1810492248 LDJAPJYXDDUSIL-SKDKGQFXSA-N 467.560 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)s2)[C@@H]1c1cccnc1 1810494789 HCDWMBHPRNHYGM-ZJSXRUAMSA-N 453.652 5.083 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)c(Cl)c2)[C@H]1c1cccnc1 1810854978 ZYFFKGPTBKNPPL-RRMPHLOHSA-N 490.829 5.029 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811216788 BFMYHZIGYSHJIF-CYFREDJKSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1812591439 XPQFKCZHANCJGB-DLNIMUOOSA-N 467.613 5.589 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1)C(F)(F)F 1812679993 ROUHCXIVBFEOOT-ILBGXUMGSA-N 487.566 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813967405 IWCJMMFZINPFBA-MIZPHKNDSA-N 489.513 5.328 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4cc(Br)ccc4c3)[nH]n2)C1 1814395479 WXBRKPFXRKCIIQ-JOCHJYFZSA-N 493.405 5.598 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(C)n2)n[nH]1)c1ccccc1 1814418737 AXMMETMZSWWLLE-FWQJLOQBSA-N 481.600 5.016 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)C(C)(C)C#N)n[nH]3)c2c1 1814568099 DRMMHCTWCCSBJS-FQEVSTJZSA-N 491.592 5.219 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cccc3ncccc23)n[nH]1 1815175241 OIIJGRHOQUXIBY-QHCPKHFHSA-N 459.594 5.185 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn3c(Cl)cccc3n2)n[nH]1 1818524716 OGOCXTZXEVZPSQ-GOSISDBHSA-N 468.989 5.009 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)cc2c1 1818566372 ZYLNXIPSAPGABM-QHCPKHFHSA-N 486.963 5.344 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)nc4ccccc34)n[nH]2)c1 1818605134 QPMMUUURXCFIJV-QFIPXVFZSA-N 484.947 5.103 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)[nH]c12 1819024483 KQZMXKFOLITWER-OAQYLSRUSA-N 486.963 5.344 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccoc3cn2)[nH]n1)c1ccccc1 1819520487 JSYUGSOWXMDDJO-XUZZJYLKSA-N 481.556 5.054 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820220192 NSPHMSZFIXWAKB-FFXXTYGZSA-N 477.952 5.246 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820822748 AHCFWCPAHUOVFD-GCJKJVERSA-N 477.996 5.070 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)n[nH]1 1820952914 ZYVBLMPXHZXQJI-UYAOXDASSA-N 489.661 5.088 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)ON=C(C)C)n[nH]2)c1 1820972385 MWEAOQOTFOUAFS-RDPSFJRHSA-N 481.641 5.178 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3cccn3)cc2Cl)n[nH]1 1821020131 ICBOTESCKDGREN-HSZRJFAPSA-N 493.011 5.323 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821108481 SJAGGVFOMNVGMZ-AEFFLSMTSA-N 499.862 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(O)c3cc2OC)n[nH]1 1821497483 ITCOATXOEKTDRP-HSZRJFAPSA-N 488.588 5.351 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(-c4nccs4)noc3c2)[nH]n1 1821920488 IJGDNTDQLPFNCS-HNAYVOBHSA-N 490.589 5.193 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1822584601 WZOVBBVUSUPSNZ-NRFANRHFSA-N 485.510 5.409 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1824507913 FOIZCXJSNMXJOE-HOFKKMOUSA-N 499.655 5.431 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1826320163 RJOVWEZXFPKKBG-MHZLTWQESA-N 466.585 5.049 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829230714 CYWSHNVQOVEURD-NRFANRHFSA-N 464.437 5.390 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829496523 VJPRHESWIZLFGO-XMMPIXPASA-N 467.560 5.193 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(C)oc4cc(O)ccc34)CC2)c1 1830769541 QWKNJUHLRFIQIF-RUZDIDTESA-N 485.584 5.174 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)cc3F)CC2)c1 1830770439 WRFHAXLLIHGCKP-MHZLTWQESA-N 491.607 5.340 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)CC1 1830950353 RHBAVNMEQIGOJK-SANMLTNESA-N 490.644 5.556 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1832031011 CSJUBVGKOIXRGV-DKUDOZJNSA-N 485.466 5.276 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2[nH]1 1832632152 LBIBOJYIBJBSGP-NFQMXDRXSA-N 482.628 5.651 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832635518 IFELPEFGNKKKFG-BXKMTCNYSA-N 499.989 5.792 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)CC2)cc1 1832713712 UUGPWJCSKLMEMV-QHCPKHFHSA-N 487.497 5.263 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832999416 ZJZCPUBKPVKZEQ-NEKDWFFYSA-N 491.676 5.501 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](CCC)CC3)CC2)CC1 1836697310 FXJQSQBFHRLKJP-HCGLCNNCSA-N 458.687 5.360 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C3(C(C)C)CCC3)CC2)CC1)c1ccccc1 1838417543 FCZYSMSZUDQFMJ-HHHXNRCGSA-N 478.677 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C)C2 1844357308 YCSIMENONRUDSK-UHFFFAOYSA-N 469.626 5.151 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 1845341401 YJRIQILRODVPNY-UHFFFAOYSA-N 492.366 5.133 30 20 JKED CC(C)CCn1c(SCC(=O)NCCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 9840553 RXYLBXILKDEIOC-UHFFFAOYSA-N 484.629 5.328 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(N(C)C)cc2)cc1 10173987 MUEDLFCMOWXIJJ-UHFFFAOYSA-O 454.641 5.168 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1 10831706 JYHISHRERVVJGP-UHFFFAOYSA-O 475.996 6.408 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCCC3 16207770 UVZZVGSQOSHJGM-NSHDSACASA-N 495.457 5.344 30 20 JKED C=CCn1c(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)nnc1-c1ccc(C(C)(C)C)cc1 16252052 COXAVPYBIQLZAY-UHFFFAOYSA-N 466.010 5.611 30 20 JKED CCn1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17126245 BYMBPHJNGSAGGB-OYLFLEFRSA-N 486.638 5.128 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1C 21729691 YDJLYEBZFINATM-XMMPIXPASA-N 474.630 5.385 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(C)cc2C)cc1 22729482 XZONKCVGMYHRIJ-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)NCCc1ccccc1 22735267 HLPNCNVNMHIHKZ-UHFFFAOYSA-O 458.434 5.614 30 20 JKED C=CCn1c(SCc2nc(-c3ccccc3C)no2)nnc1-c1ccc(Br)cc1 24473342 ODRVINGSVAEUMP-UHFFFAOYSA-N 468.380 5.544 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nnc1-c1ccc(F)cc1 24874004 OAIPRBHFAIMZTQ-UHFFFAOYSA-N 483.569 5.843 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 72066919 RDZSLOIBQVLQFH-UHFFFAOYSA-N 475.504 5.466 30 20 JKED Cn1c([C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2)nc2ccccc21 109452029 OQAIZADHNVVYJH-AREMUKBSSA-N 462.509 5.136 30 20 JKED N#Cc1cc(S(=O)(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)ccc1Cl 195534934 UGPTXOKDBZFUNG-UHFFFAOYSA-N 457.886 5.079 30 20 JKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1cccc(Cl)c1Cl 303414257 VTPPCRIZHWTPJP-INIZCTEOSA-N 469.155 6.269 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481628487 RYBVRDYZGXNZLQ-UHFFFAOYSA-N 474.536 5.080 30 20 JKED CN(C(=O)Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1)c1ccccc1 483351401 OGGSHAOKMBAPTC-UHFFFAOYSA-N 461.521 5.808 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1SC 483436152 HIHMNDNJIUZTBG-UHFFFAOYSA-N 463.515 5.223 30 20 JKED N#C[C@H](C(=O)c1cc2cc(Br)cc(Br)c2o1)c1nc2ccccc2o1 492684554 RDIALWUPXXFIAT-LLVKDONJSA-N 460.081 5.589 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)N(CCC#N)c3cc(C)cc(C)c3)nc21 495474048 DUOFTHPXPDNFKS-UHFFFAOYSA-N 458.591 5.045 30 20 JKED C=CCn1c(SCC(=O)N(C)C(C2CC2)C2CC2)nnc1-c1ccc(Cl)cc1Cl 495610943 XKOYEPKJALWXQW-UHFFFAOYSA-N 451.423 5.177 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 498387257 SAXDMRFEOHUPON-FQEVSTJZSA-N 451.375 5.048 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C)c1nc(C(=O)OCC)cs1 501947685 LRKKCUZODTVWPU-UHFFFAOYSA-N 489.601 5.454 30 20 JKED C=CCn1c(SCC(=O)NCC(C)(C)c2ccccc2F)nnc1-c1ccc(Cl)cc1 505099762 VPGGUEAUOYGMSV-UHFFFAOYSA-N 458.990 5.110 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 505692327 SOMKQHKSEQSPGX-UHFFFAOYSA-N 475.589 5.553 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1 508272088 GAYJCHJISXYCTL-LVXARBLLSA-N 457.530 5.649 30 20 JKED N#Cc1ccc(OC[C@@H](O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 508369877 HQEHLWPLGZDXSX-LJQANCHMSA-N 465.625 5.387 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3Cc3cccc(F)c3)s2)cc1 510213578 QTSVTGGAAVPUPH-IBGZPJMESA-N 453.568 5.080 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccs2)C2CC2)nnc1-c1ccc(Cl)cc1Cl 514780602 JQYMWKNYVVYZEO-UHFFFAOYSA-N 479.458 5.783 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)Nc1cccc(C#N)c1 515486784 CCGJENJAZZLJCF-RTBURBONSA-N 453.571 5.545 30 20 JKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 515539379 QSKUTPDEGBLXKQ-GOSISDBHSA-N 478.411 5.631 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1 515605277 VDKPHIJKEZAXLS-UHFFFAOYSA-N 462.522 6.022 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1)c1ccccc1 517533638 YJLQKCOEXKIKSS-KNQAVFIVSA-N 464.635 5.387 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCC(F)(F)F 519451573 GZDITKWKDLJESS-CQSZACIVSA-N 453.486 5.210 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 519977635 GWYJMLCVCQWWPF-UHFFFAOYSA-N 490.060 6.101 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CC=C(c4cccc5ccccc45)CC3)s2)cc1 520183421 YEVLSYDCFLVUHQ-UHFFFAOYSA-N 483.622 6.176 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 522052563 YTTDHGLAWQIQQA-LLVKDONJSA-N 481.427 5.291 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 523273422 HUAZDUOBGZOHIM-GOSISDBHSA-N 457.530 5.163 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 523696600 LZVODWFRPBHTPV-HXUWFJFHSA-N 483.572 5.408 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)o2)cc1 524385965 CLALOAYIFUEXSN-UHFFFAOYSA-N 469.472 5.052 30 20 JKED N#C[C@@H](NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3)c1cccc(Cl)c1Cl 524572763 SCXOVMUWRWLTRT-CQSZACIVSA-N 493.441 5.197 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(Br)cc1 553026235 GYBMQKXCVHZCQQ-OXQOHEQNSA-N 458.425 5.619 30 20 JKED CC(C)Oc1ccc(CNC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 588209202 GFIVHALQBUPETE-STQMWFEESA-N 480.371 5.765 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c1 589802817 WJHLWGQKIOSADU-QHCPKHFHSA-N 452.913 5.278 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 595993082 GZIDBYIOTLASPX-AWEZNQCLSA-N 485.400 5.482 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 597228534 XVIRSKYYKSBKDB-HXUWFJFHSA-N 495.608 5.642 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCCc3ccc(OC(F)F)cc3)c2)cc1 603748131 QJZLCJOCQWXKHQ-UHFFFAOYSA-N 451.473 5.297 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1Cl 603765941 DXBOCOUEQQHFMK-VWLOTQADSA-N 453.929 6.222 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 603945882 GCAWENLQJTXVAI-UHFFFAOYSA-N 452.557 5.423 30 20 JKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2cnn(Cc3cccs3)c2n1 604003630 PQLUNVXMSDTHDJ-UHFFFAOYSA-N 493.592 5.747 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4cccc5ccccc45)CC3)cc2)cc1 604461888 QMYDRNWTOBICDX-UHFFFAOYSA-N 476.536 5.494 30 20 JKED C=CCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609019285 HVNSRJPSFOPGLF-UHFFFAOYSA-N 452.923 5.615 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 609078619 CZPOQWMXSDLJIR-UHFFFAOYSA-N 496.611 5.191 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 609088619 GZBNFWJTORANDB-NRFANRHFSA-N 453.542 5.160 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccccc1SC[C@H](C)C#N 609377340 VMNIDSXPULMRIE-CQSZACIVSA-N 473.524 5.336 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cn(-c2ccccc2Cl)nn1 609378674 ZCTNJGRTZBHYSV-UHFFFAOYSA-N 451.861 5.198 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc2ccccc2n1 613292875 ZVOIQYKDMXZGPA-QGZVFWFLSA-N 460.287 5.333 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1NC(=O)c1ccccc1F 613404404 QMLQBPUJKGRKAI-QGZVFWFLSA-N 462.431 5.621 30 20 JKED O=C(c1cc2ccccc2n1Cc1ccccc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618304313 VFHTUWCXYYWBFA-IAGOWNOFSA-N 472.404 6.032 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618304834 ZSWGKTNCDCUKGC-BETUJISGSA-N 481.437 5.516 30 20 JKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 620304453 ADNKZOIHGPDRRV-GOSISDBHSA-N 462.452 5.948 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1 685827491 RGUPZEPRKBRYQA-UHFFFAOYSA-N 482.915 5.092 30 20 JKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCOCC1)c1nc2ccccc2n1C(F)F 726322128 GEYYINAGUHXAGG-INIZCTEOSA-N 474.305 5.119 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(F)(F)F)c3)SC2=S)cc1Cl 726626313 DFSGJBNDGXKJCL-APSNUPSMSA-N 454.882 5.559 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccc2-c2ccc(Cl)cc2)C1=O 726738087 PPOZUYGNSGRHQC-QHCPKHFHSA-N 489.000 5.146 30 20 JKED N#CCOc1cccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1 726845622 MTOLWYKECDDKTQ-RUZDIDTESA-N 460.965 5.181 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727626831 GUODWHHYVQRQRH-NRFANRHFSA-N 460.603 5.203 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 728109458 RBLKKDZFWHWCFO-LBPRGKRZSA-N 493.730 5.874 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2F)c1 728186531 JIDSNCJNYHOWOD-XFXZXTDPSA-N 483.543 5.167 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(CCCCC#N)C2=O)cc1 728777816 PKEQNLJDWBLSGM-HSZRJFAPSA-N 476.602 5.160 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728779071 XIDDFEIRKDYTCQ-HXUWFJFHSA-N 499.980 5.211 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1Cl 730714994 IYRREWLPOMWYJT-RTWAWAEBSA-N 492.004 5.086 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1[C@H](C)c1ccc(C)s1 730715072 AYJWTKGYAKVDKW-OXQOHEQNSA-N 479.631 5.130 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944196 SKXCSGIBNKOLKC-UUOWRZLLSA-N 486.597 5.314 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1CC2 731060744 PJRUSVMJMOZFPH-MRXNPFEDSA-N 462.596 5.703 30 20 JKED N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 731288364 QZVFHYUVDALVGG-MRXNPFEDSA-N 463.784 6.138 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731304758 AOJIAHCIGRACDD-IBGZPJMESA-N 486.018 5.576 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 743524294 IYDKINXQJAXZEY-KSFYIVLOSA-N 480.540 5.390 30 20 JKED CCOc1cc(C=Nn2cnnc2-n2nc(C)cc2C)ccc1OCc1ccc(C(C)(C)C)cc1 744747675 VGDJXEIXHGEPGU-UHFFFAOYSA-N 472.593 5.238 30 20 JKED Cc1cccc2cc(C=NN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)c(Cl)nc12 744797245 ZWWDHBIHBRDLIL-UHFFFAOYSA-N 454.917 5.026 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccc2cccnc12 744996684 DWFWRZCFASFXKC-DEOSSOPVSA-N 491.576 5.267 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747112117 QMBBMOWOWKQTHD-MRXNPFEDSA-N 474.369 5.406 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cscn1 747601850 IJBNCEKRFKWYPH-IBGZPJMESA-N 471.007 5.265 30 20 JKED O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1=Cc2ccc(OC(F)F)cc2CC1 747840823 ZWKHRTXNIGCCGX-WDNDVIMCSA-N 493.416 5.404 30 20 JKED C=CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 751054774 NOTPHIFZFAWFNO-UHFFFAOYSA-N 489.307 5.222 30 20 JKED Cc1cc(Br)ccc1SCC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 764728473 RTVAJXCERCLXOP-UHFFFAOYSA-N 471.376 5.144 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)c1 799212407 HTOWZXHSQFSHMC-KRWDZBQOSA-N 485.915 5.180 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c(C)c1 799214368 KOUQZNJFNADCHX-LJQANCHMSA-N 463.525 5.443 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1ccc2ccccc2c1 799218668 ITKLHNFNDSWHLI-IBGZPJMESA-N 475.467 5.502 30 20 JKED N#C[C@@H](C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1nc(-c2ccccc2)cs1 807688663 MIAVWBFYTDRYAV-FQEVSTJZSA-N 498.589 5.130 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)CCc2ccco2)c1 837346948 UGCJJDCSMOJVFH-WZONZLPQSA-N 477.586 5.270 30 20 JKED N#Cc1ccc(N2C[C@@H](c3nc(-c4ccc(COc5ccccc5)cc4)no3)CC2=O)cc1Cl 904444506 AIPRXMCDEYPPPJ-FQEVSTJZSA-N 470.916 5.361 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1 904477809 NCGMYDNMVDOBOA-FQEVSTJZSA-N 479.968 5.843 30 20 JKED C[C@@H](Cc1noc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1)N(C)C(=O)OC(C)(C)C 904655493 LSICRDSIVZBUNM-NSHDSACASA-N 485.400 5.824 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914744656 YNBAZNDMCQBUST-NHAGDIPZSA-N 485.831 5.672 30 20 JKED COc1ccc(OCc2nn(CN(C)Cc3ccc(C#N)cc3)c(=S)n2-c2ccccc2F)cc1 914783268 OZNLKDTUZYKIGC-UHFFFAOYSA-N 489.576 5.091 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c(C)c1 915350290 PWJRFNPYEFRBTM-HHHXNRCGSA-N 451.570 6.086 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916209132 FMAXQQDYAYWMCU-APWZRJJASA-N 478.401 5.133 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(OC(F)F)cc1 916210806 JLZTYIBZLVQVHK-GOSISDBHSA-N 495.935 5.096 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2Cc2ccco2)cc1 916213548 DCRHRFGFWCISJJ-NRFANRHFSA-N 499.976 5.111 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1 916214824 PHRXVWVMYQLVDW-LJQANCHMSA-N 487.553 5.755 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(Cl)cc1Cl 916215859 ZSAGFMRBNLZSJA-IBGZPJMESA-N 494.400 5.157 30 20 JKED COc1cc(C=NNc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916249932 FECIQJDCODBPOM-UHFFFAOYSA-N 488.422 5.086 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)c2)cc1 916449237 ANTHSMANIOHWDE-KAMYIIQDSA-N 479.580 5.222 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@H](C#N)c3nc4ccccc4s3)[C@H]2c2cccs2)cc1 916846207 LKTXPYHJIYDWOM-BSRJHKFKSA-N 457.580 5.637 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc(-c3ccccc3)nc21 916888663 ZAUGSCFRUVBUMD-LJQANCHMSA-N 491.523 5.394 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 916898690 DRICMWFLDFKVLV-OAQYLSRUSA-N 474.561 5.621 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1-c1ccc(F)cc1F 916911130 VVHKGPOHTONVTN-IBGZPJMESA-N 472.451 5.212 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 916926952 ADGXCIOTTVKMEL-GFCCVEGCSA-N 486.149 5.124 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927926 FTBDIQZPDVSOSU-HXUWFJFHSA-N 465.336 5.971 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Br 916930608 DQYJKUJIYNFGNR-CYBMUJFWSA-N 470.150 5.045 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(COc2cccc(Br)c2)o1 916940751 ZVVWAKVVHGNOKS-MRXNPFEDSA-N 491.700 5.375 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)cs1 917560049 QIOCQNOICBKKEC-TWGQIWQCSA-N 481.371 6.541 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(Oc3cc(C)ccc3C)nc2)C1=O 917682147 GKTJYRUGQQFOPD-QHCPKHFHSA-N 488.613 5.067 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CC(F)(F)F)C2=O)c1 917699219 RMRPTDAYZHFAQT-FQEVSTJZSA-N 487.503 5.371 30 20 JKED CC(C)CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917702645 HMBCFOALBACZLQ-OAQYLSRUSA-N 452.555 5.094 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CCc3cccs3)C2=O)cc1 917703035 KDSHBBSKCJHSHE-QFIPXVFZSA-N 474.611 5.131 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)NCc3ccccc3)cc12 919664370 GAVGIWCPFSVLGT-KRWDZBQOSA-N 497.407 5.400 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920104230 NAYCGAGLGCXGLA-BEFAXECRSA-N 477.973 5.998 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 920109318 OOPZHALUIIAUDK-SFHVURJKSA-N 467.356 5.409 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 920109735 UOJKENUZUISLNX-HOFKKMOUSA-N 491.591 5.083 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)c(Cl)cc3Cl)n2)cc1 920140440 HCYDGZVZQRZAPR-CYBMUJFWSA-N 462.745 5.897 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3CSc3nc(C)cs3)n2)cc1 920143579 RSFYEUVVAWZXFZ-HXUWFJFHSA-N 477.636 6.366 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@H]2c2ccccc2)c(C)c1 920353311 GXMSBBUQTSGHDR-NZJKTDFXSA-N 491.657 5.072 30 20 JKED C[C@H](OC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C#N)c1 920674526 ZBGHOOGHYKONSH-GJZGRUSLSA-N 469.950 5.059 30 20 JKED N#C[C@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 920875389 YAEIZQOXTDDVMA-GOSISDBHSA-N 462.333 5.070 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 928668584 NPGLPZKLLNSRNS-UHFFFAOYSA-N 477.542 5.482 30 20 JKED Cc1cc([C@@H](NC(=O)CCc2c(C)nc(O)c(C#N)c2C)c2ccccc2Cl)ccc1F 1360995829 QPYPQLFGLTTXIE-XMMPIXPASA-N 451.929 5.215 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C3(C#N)CC3)C4)cc2)cc1 1780859361 JRRBWYZBJTWPCK-DLFZDVPBSA-N 499.655 5.127 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)cc2C)C1 1781164096 WXXHRYUOVZOZPS-RCZVLFRGSA-N 479.448 5.198 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)C[C@@H]21 1783541281 QPHJKWTWCYRBJN-DPZBCOQUSA-N 499.655 5.192 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CSc3ccc(F)cc3F)CCC2)cc1 1786364268 GAHBCVKFVQEPHS-UHFFFAOYSA-N 474.573 5.174 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](N)c4cccc(Cl)c4)cc3)CCC2)c1Cl 1788054375 MUWLRZSUBHZVDV-QHCPKHFHSA-N 493.394 5.313 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(F)c3)cc2)CCC1 1788374091 MUOYWEYRWJGQBP-UHFFFAOYSA-N 456.521 5.185 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C[C@@H]21 1788527834 YQYHNUUKDQELJJ-ZSPKOZBSSA-N 499.655 5.176 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ncccc3C(F)(F)F)CCC2)cc1 1788650736 LRLLGYBHIWIZDJ-ZHACJKMWSA-N 499.514 5.349 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCCC4(F)F)cc3)CCC2)cc1 1789163028 APJINWQOXQZQAH-DEOSSOPVSA-N 455.480 5.224 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CNc4ccccc4O3)CCC2)cc1 1789453772 FITBSEGTAVLZOR-PKTZIBPZSA-N 459.590 5.152 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1789456904 YUQBTUSDRNPGSL-GGAORHGYSA-N 483.653 5.582 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)CCC2)cc1 1789625605 LCYXZPNLKLJKOY-OAQYLSRUSA-N 497.636 5.039 30 20 JKED CCc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1789814818 MKGQJCKMDXHVCM-UHFFFAOYSA-N 465.670 5.344 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789880822 MQNWLKZSDZYQNX-SFHVURJKSA-N 461.587 5.149 30 20 JKED C[C@H](Cc1ccncc1)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083066 YPLKLKLSGPZGLZ-GOSISDBHSA-N 472.976 5.233 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)/C(C)=C/c4ccc(C)o4)CCC3)cc2)c(C#N)c1 1790473076 QWBXSGWNFDINAP-XDJHFCHBSA-N 483.568 5.248 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc(F)c4F)CCC3)cc2)cc1 1790708102 BYHXCUJTBPRNJQ-UHFFFAOYSA-N 459.496 5.021 30 20 JKED CCN1CCC(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)CC1 1790787735 SLYGXJRFASNJRM-UHFFFAOYSA-N 498.549 5.057 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCNc3ccc(C)cc3C)CCC2)cc1)C(F)(F)F 1791302641 RMKOKOUAMJMGEN-UHFFFAOYSA-N 459.512 5.358 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@]4(F)Cl)cc3)CCC2)cc1C#N 1791674897 CHYLTJSANGRDKF-NBGIEHNGSA-N 469.944 5.018 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204206 QIPHTCLICRGPMW-FRFYRWIFSA-N 493.604 5.286 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206918 WMBDYTSXVCRSFP-WWPVKYPJSA-N 483.653 5.416 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(Br)c4[nH]3)CCC2)cc1 1792264908 UVLSBWWOUJBVQM-UHFFFAOYSA-N 464.363 5.092 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793211355 WBCNYPPUSQRCNF-XPWMFVEMSA-N 464.984 5.463 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cc1Cl 1798420716 JLTSNKODAUBTOR-KOUNCHBCSA-N 489.132 5.430 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccccc3)cc2)c1 1800348133 XCAVUQJRQYCGEV-QEIWAGNOSA-N 465.553 5.225 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)[C@H]1c1cccnc1 1802501192 IQEVWWLOIXAFRD-WYTIYTFZSA-N 482.024 5.152 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1803086903 PBUKOXRRKFQZSF-LADGPHEKSA-N 496.449 5.241 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1803087836 FKYPHEBDJQGVDI-AHWVRZQESA-N 477.674 5.265 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1 1803679037 LKUJPWBKGXFHJB-ZBCONREDSA-N 478.596 5.250 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCc3cnc4ccccc4c3)CC2)C1 1804857738 WXJSPWLUPZILSB-UHFFFAOYSA-N 461.650 5.391 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC2)C1 1804868929 ZSNLREZYKOWFRK-VXKWHMMOSA-N 491.717 5.149 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)CC1 1805610285 IBDKAYNBTKTSRQ-FGZHOGPDSA-N 456.577 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1805683150 VWZUCABTFSJVFB-URXFXBBRSA-N 465.638 5.593 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4cc(F)ccc4Cl)C3)CC2)c1 1806550056 CMXAGAXXUXGSTM-IBGZPJMESA-N 481.999 5.194 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1809196388 OUQMKMUVQGQUKM-HWHXTQLESA-N 477.008 5.304 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809213011 PTQHXTRANSKTLP-UZLBHIALSA-N 489.975 5.481 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809441965 RDKSMWPXKOHBRP-UQBPGWFLSA-N 498.048 5.252 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 1809552802 DSXDLNUICSTBJG-WWUMMRACSA-N 499.014 5.038 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1810277108 MJNMNFLRGHDKIY-ITYQNKPCSA-N 479.741 5.109 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1Cl 1811419069 DYOZTWSGUKIPEL-AMGIVPHBSA-N 494.982 5.393 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1813053818 BSHGRPBLVAEQAS-WHOLLPIFSA-N 466.025 5.291 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813973238 QXMLELTZJVFLBK-HTAPYJJXSA-N 492.422 5.840 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(Cl)cc3Cl)[nH]n2)C1 1814396498 GYWZBLMUPGGEGX-FQEVSTJZSA-N 461.393 5.308 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)[nH]n1 1814440432 RSHMZTSPIUOXFD-FQEVSTJZSA-N 491.558 5.441 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)[nH]n1 1814442240 OULPYVJRLRENCK-SFHVURJKSA-N 468.989 5.189 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccnc(C(C)(C)C)c3)n[nH]2)c1 1816107215 NTGZYNVGARJOPZ-FDDCHVKYSA-N 484.604 5.349 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)[nH]n1 1817121955 FMLALRTYJOZPJJ-JOCHJYFZSA-N 491.979 5.252 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)noc2-c2ccccc2)n[nH]1 1818144785 IGJXRWRXVLIQMA-OAQYLSRUSA-N 475.593 5.671 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)cc1 1819079186 TUDQDUMKINFOHU-FQEVSTJZSA-N 473.533 5.255 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1819385270 PFNSCAIAEMQANI-FQEVSTJZSA-N 493.709 5.376 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819386962 REJOGUGTFGNDQR-HSZRJFAPSA-N 480.685 5.084 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091085 MHKNYDVRJSRHFM-JOCHJYFZSA-N 483.572 5.651 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)c(Cl)cc2C)n[nH]1 1820179973 ABCMHQUVWFNPGH-LJQANCHMSA-N 491.817 5.243 30 20 JKED CCSc1cccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1820398634 LFMJLAOINVLYAG-LJQANCHMSA-N 495.008 5.061 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821384215 FKKQYLGLOUUGCS-MBSDFSHPSA-N 477.996 5.686 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(CC)CC)n[nH]1 1821752819 DDTCDIIWYDGOIC-AZGAKELHSA-N 477.653 5.253 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1822582650 QFKNDHYKEULSEC-LJQANCHMSA-N 455.628 5.098 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1822582736 WRFAEGAGQLOMES-JOCHJYFZSA-N 463.969 5.111 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)[nH]n1 1822583515 RBHHNMNEUOJFBY-IBUXMESJSA-N 483.410 5.071 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2SCC)CC1 1823658800 QTEUTBUJZIVMHZ-JOCHJYFZSA-N 457.684 5.419 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(Cl)cncc4s3)CC2)C1 1823700998 UHQYZWFXEJWBSI-FQEVSTJZSA-N 458.027 5.149 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)C1 1823704261 CWLFDBKTVHLEES-OAQYLSRUSA-N 452.492 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(=O)Nc2ccccc2)CC1 1824138273 XZXWSARCEHCNHY-AREMUKBSSA-N 479.665 5.184 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(OC)c23)CC1 1824143236 ISTNYHAXSJQRRI-DEOSSOPVSA-N 463.622 5.178 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1824538556 RJOUTNWJQQUDDT-AFXVXQJMSA-N 463.087 5.018 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824837193 JZTZEDYLBNXVNM-XIQMRYHBSA-N 474.567 5.532 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1824863711 CFIFSBJVVNEEMQ-CYNGKWMKSA-N 478.658 5.048 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2CCCCO2)CC1 1824912150 BESLLTJCAPZQDN-IHLOFXLRSA-N 498.667 5.279 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3scnc3C3CC3)CC2)c1 1825649593 XMBPTKQFRXUWPM-FDDCHVKYSA-N 476.646 5.195 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1827173977 XMLRDLNJEAONFE-HHHXNRCGSA-N 486.591 5.045 30 20 JKED CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827680070 GRVOONFEYYHARI-IDSBPIFPSA-N 478.658 5.301 30 20 JKED Cc1ccc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)ccc2n1 1827696815 FTTMRNYPEQIBJK-OPAMFIHVSA-N 495.608 5.166 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828295487 MSFAJZVTZBTQGJ-OAQYLSRUSA-N 463.956 5.266 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1828502390 MSGJJZAGPYHJQT-GAJHUEQPSA-N 486.454 5.376 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc4c3CCCC4)CC2)cc1 1828569346 KCRSBFLGKVUETP-RUZDIDTESA-N 475.658 5.240 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)cc1 1829671422 IYAQMOZQZZJCDT-MHZLTWQESA-N 486.591 5.045 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)cc1 1830017477 ZDIQFKTUIAHJSZ-JOCHJYFZSA-N 487.497 5.263 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1830446478 NGFYSRNFUYLKTG-MUUNZHRXSA-N 499.655 5.366 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830708298 RNCODMKGKQZTCP-MHZLTWQESA-N 474.670 5.626 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721834 QZBGYWOYIHCEEC-HSZRJFAPSA-N 456.030 5.437 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)cc2s1 1830722447 JBSWURILTXYMAB-HSZRJFAPSA-N 495.048 5.610 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1)C(F)(F)F 1831451377 SMECIUDRCWJMPG-NRFANRHFSA-N 499.533 5.780 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1831502900 LKPZYWZHAHRACH-NEKDWFFYSA-N 471.645 5.304 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cncc(C(F)(F)F)c3)CC2)c1 1832633841 OHDNZRXKYQLRKR-UUOWRZLLSA-N 498.549 5.275 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1)C(F)(F)F 1832705321 ZYAIJYKWUAMACY-LJQANCHMSA-N 476.461 5.366 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832716898 FXADVPYTERXVCD-FQEVSTJZSA-N 489.003 5.511 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)CCC1 1832785811 JNNDRAWEFPEHAM-VWLOTQADSA-N 471.601 5.406 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccc(Cl)cc1Cl 9826155 HNFQFFRYPMFDNY-UHFFFAOYSA-N 463.390 5.567 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2cccc(O)c2)cc1 10172788 CAWCIEUEEZBTTR-UHFFFAOYSA-O 471.549 5.630 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OCC)cc2)cc1 10173966 KGONQVJLPWDXIF-UHFFFAOYSA-O 459.635 5.865 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1C#N 10711482 WXKPNUWVTOYUQF-JOCHJYFZSA-N 461.518 5.228 30 20 JKED Cc1nc(CSc2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)cc2)cs1 11535424 XKTPKTSUOULRNM-UHFFFAOYSA-N 457.964 5.064 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccc(Cl)c1 14069187 HTJJESLTMWODNY-UHFFFAOYSA-N 453.782 5.822 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)nc2ccccc2c1=O 15231006 JMUKUASGGCYDQN-UHFFFAOYSA-N 489.211 5.927 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OCC)nc2scc(-c3cccs3)c2c1=O 16986882 JZFAXRSYQRGLGG-OAHLLOKOSA-N 497.667 5.891 30 20 JKED Cc1cccc(-n2c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2c[nH]c3ccccc23)c1 22117260 WHTPLRZUKPNISJ-QYBDOPJKSA-N 472.618 5.259 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C)cc2C)cc1 22729550 SSASZLATDKEKHV-UHFFFAOYSA-O 451.681 6.915 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCc2ccc(COCC)cc2)c1 23150695 WXILCUBSNFGDPN-UHFFFAOYSA-N 499.032 5.188 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1CC=C 23405228 BXVMQZSYFUCVGC-MRXNPFEDSA-N 459.662 5.018 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC 24099143 IENWDPSNZGEQQU-MHZLTWQESA-N 466.541 5.309 30 20 JKED COc1ccc(OCc2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)n2-c2ccccc2F)cc1 24706543 MQNXREVPIFRBQE-JOCHJYFZSA-N 474.561 5.529 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cs1)c1ccc(F)cc1F 58304170 PEMYRKCBSDEKOJ-XYOKQWHBSA-N 467.541 5.992 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ncccc3OCCCC#N)cc12 72086255 TVXRKFBGVKNJSF-UHFFFAOYSA-N 451.939 5.379 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 97542493 QNGYVYJCCFIDDQ-UHFFFAOYSA-N 466.541 6.046 30 20 JKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)/C=C\c1ccc(OC(F)F)cc1OC(F)F 98008750 MAUNSXQIQCJZDD-ALCCZGGFSA-N 494.363 5.142 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 108690267 YKUAMKKMLGVKIU-UHFFFAOYSA-N 497.576 5.385 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 115045431 SVZUDWUVYWYZKN-UHFFFAOYSA-N 479.561 6.223 30 20 JKED COc1ccc(-c2cnc(CSc3nc4ccccc4c(=O)n3-c3ccc(C#N)cc3)o2)cc1 195696107 WCJIWHGKTICEDE-UHFFFAOYSA-N 466.522 5.213 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)C4CCCC4)c3)cc2)cc1 195708777 NXMIPWDZMIJTHI-UHFFFAOYSA-N 454.530 5.801 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1-c1ccccc1 255930820 ODTXSMDLHDMLCK-UHFFFAOYSA-N 491.016 6.094 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccccc3SCCC#N)cc12 303336037 XMTIKWHUJRNJBF-UHFFFAOYSA-N 467.019 6.366 30 20 JKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2ccccc2C#N)c1OC 409716437 BPEGUQAHUGRJLE-FBMGVBCBSA-N 461.521 5.863 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)cc1Cl 410318409 OTBRLZYLRVDIFA-DEOSSOPVSA-N 459.981 5.177 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc4ccccc4c3O)cc2)c1 436678291 ZZPWBVSQTDKYCR-MHZLTWQESA-N 491.547 5.239 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 481081808 SHEKRTJODKYMFW-UHFFFAOYSA-N 469.372 5.192 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1Cl 491568928 JYKVEPSYOAYDIK-ATIYNZHBSA-N 473.020 5.682 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc(OC)c1OC 497811229 BNXXQRFJFCUGCQ-UHFFFAOYSA-N 486.012 5.470 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 498305157 IHUZOWGSDPLLIO-UHFFFAOYSA-N 452.717 5.350 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)CC2)c1 502647139 JWXZHTFAMVNZLF-UHFFFAOYSA-N 475.936 5.282 30 20 JKED N#Cc1ccc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)cc1 504280473 QKHCYWVWTBVMPJ-UHFFFAOYSA-N 485.535 5.119 30 20 JKED N#CCc1cccc(C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2I)c1 504981490 TYLNDZVWUQQHRO-OAQYLSRUSA-N 470.285 5.016 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OCc1cccnc1 507917393 KDDJEIRETLQUNH-UHFFFAOYSA-N 465.509 5.976 30 20 JKED CCOc1cc(Br)c(NC(=O)NCCSCc2ccccc2C#N)cc1OCC 510525545 VIVYTLAQFDDXCW-UHFFFAOYSA-N 478.412 5.173 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 510738073 UAGGPOYQNOQZMQ-IBGZPJMESA-N 484.556 5.199 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 511029520 NEAVXVBZWMLNAV-JOCHJYFZSA-N 458.389 6.177 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 511170745 KSZISRRVRLAFOW-UHFFFAOYSA-N 499.586 5.247 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cn2)c1 511341703 OKYHUPKDRBRFRA-UHFFFAOYSA-N 494.551 5.849 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccccc3)n2Cc2ccco2)sc2c1CCC2 514486850 LQLGMFGONKYUOI-UHFFFAOYSA-N 475.599 5.129 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc(OC(C)C)c2)nnc1-c1ccc(Cl)cc1 514575668 HXYIFMQJJGSXTA-QGZVFWFLSA-N 471.026 5.541 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 514839444 LGSREZOSPPMEJL-UHFFFAOYSA-N 494.107 5.829 30 20 JKED C=CCn1c(Sc2nc(CN3CCCC3)nc3sc(C)c(C)c23)nnc1-c1ccccc1OC 515164539 FDNWBWQNKXANDA-UHFFFAOYSA-N 492.674 5.508 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 515262996 MUJLGJDMPQUPKJ-UHFFFAOYSA-N 470.577 5.106 30 20 JKED CCOc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OCc1cccnc1 515931340 XLKNWXUQQADRKV-UHFFFAOYSA-N 492.535 5.436 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)CC2 517132423 UBVLTMRYGRYGOE-UHFFFAOYSA-N 457.530 5.738 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 518753472 OTMHGUNXASQVHR-KRWDZBQOSA-N 462.541 5.449 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 519441872 SHDAIPJCPNSZDR-MAUKXSAKSA-N 463.525 5.553 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cc2)cc1 520009039 DXYBOULSPMXOHK-XMMPIXPASA-N 471.513 5.395 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 520829565 DUOJDQFRBXVNEN-SJORKVTESA-N 473.545 5.031 30 20 JKED CCn1c(CNc2ccccc2SC[C@@H](C)C#N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 521725403 CUKVYNPCFBTPBX-IBGZPJMESA-N 497.690 5.095 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 521731474 YWEXJFCOKAYGDK-BVZFJXPGSA-N 459.571 5.137 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)o2)cc1 521734823 TXZDCFYNBQWSIF-UHFFFAOYSA-N 459.493 6.246 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1Cl 522486909 ZRXBSMFVZFRLAM-MZKRTTBSSA-N 497.904 5.625 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)o1 522627969 IGKQHZLUWBJKAJ-LJQANCHMSA-N 488.931 5.453 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1 524563129 BOGACNSSAXZBDZ-IAGOWNOFSA-N 478.643 5.495 30 20 JKED Cc1ccc(-c2noc([C@H](C)SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1F 524614172 WFJCLBUWHZBMHI-HOCLYGCPSA-N 470.595 5.869 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 524700655 UCUSSKMDGRDFPS-UHFFFAOYSA-N 451.523 5.407 30 20 JKED C=CCc1cc(CNC(=O)N(Cc2cccc(Br)c2)C2CC2)cc(OC)c1OC 550774989 GWVLDRJFSZELJA-UHFFFAOYSA-N 459.384 5.069 30 20 JKED N#Cc1ccc(CNC(=O)c2ccc(Oc3ccc(C(=O)NCc4ccc(C#N)cc4)cc3)cc2)cc1 581747763 YVUHCPLWQOWITC-UHFFFAOYSA-N 486.531 5.082 30 20 JKED CC(C)c1ccc(CSc2nnc(S[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)s2)cc1 589722439 NIHJUQVUJVKSIK-HXUWFJFHSA-N 466.657 5.723 30 20 JKED Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)c1 603627122 SPOCENBAPKZRIO-UHFFFAOYSA-N 484.537 5.107 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 603738488 JFGXBEJJJQGXKG-QGZVFWFLSA-N 471.517 5.451 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1ccc2c3c(cccc13)CC2 603739805 FRAKEKAVAOQLLE-UHFFFAOYSA-N 451.551 6.037 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 603831514 AAQANCFUEHFIAZ-BWTSREIZSA-N 499.455 6.363 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(C)c3C)o2)cc1 603905489 FZECURPEBBQXFG-UHFFFAOYSA-N 463.607 5.239 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2C(F)(F)F)cc1 603995834 NMIZNRHSEIJAIE-UHFFFAOYSA-N 489.457 5.576 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)cn2)cc1 604335898 DRGFMVWNNFHDLO-GOSISDBHSA-N 467.312 5.044 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)cc(OC)c1OC 609008149 QFLNEHXMTKYDGE-HSZRJFAPSA-N 499.571 5.008 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cnn1-c1ccc(F)cc1 609063645 IUIGQUSNRDSTFC-UHFFFAOYSA-N 454.505 5.838 30 20 JKED Cc1nc(SCC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c(C#N)c(C)c1C 609186699 JWKGPSNUEKITDR-LJQANCHMSA-N 466.607 5.427 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H]1c1ccc(OC)cc1 609376982 MRHYYRAIMLRGEQ-QLWBXOBMSA-N 465.619 5.275 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 609439036 UCRVSOQVVOGZBQ-AVRDEDQJSA-N 487.069 5.708 30 20 JKED C[C@@H](Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C)C(=O)NC1(C#N)CCCCC1 612646046 DSMMCLJDTMZONT-CQSZACIVSA-N 487.050 5.139 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(Cl)o2)nnc1-c1ccc(Cl)cc1Cl 614258103 BFLDXKSDAAFMET-UHFFFAOYSA-N 457.770 5.093 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnn(-c2ccccc2)c1C(F)(F)F 642157229 FDEQBYJERZFBOI-QWRGUYRKSA-N 473.339 5.530 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1cccc(C(F)(F)F)c1 642158731 UVTJOYJNRNJXEU-WDNDVIMCSA-N 487.366 5.839 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\CCc3ccccn3)N(CCCC(C)C)C2=O)c1 726107453 DJDZJTKRFTXWSD-WNMDNWPKSA-N 466.651 5.006 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2[C@H](C)c2cccnc2)cn1 726118395 MNWGOPUKQRKMJG-HOYKHHGWSA-N 498.612 5.173 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 726271065 RHZCFJXLTQZTQJ-YKSBVNFPSA-N 494.611 5.445 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2sccc2C)C1=O 726422459 WDUIRGVIHJNELC-REDIBKKOSA-N 499.683 5.717 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1=S 726592732 QTOYJUSQOYXVQH-GOSISDBHSA-N 494.571 5.432 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)n1 726877544 OLMJRBCZUOLTOG-JKSUJKDBSA-N 494.671 5.098 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(CCc2ccccc2)Cc2ccncc2)c1=S 726964583 TXMOCDQWAQVTHT-UHFFFAOYSA-N 459.594 5.504 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)nn(CC)c2C)cc1 727252882 RSWZSGKUDPWURZ-DEOSSOPVSA-N 489.645 5.243 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cnc(-c2ccccc2)s1 727256658 YZPVVQNAVYCLCF-UHFFFAOYSA-N 462.387 5.458 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)cc1 727406098 SDEOMRRGDGPHPR-UHFFFAOYSA-N 471.582 5.244 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCCCC5)cc3)o2)cc1 727989541 XEUFWADAKPYMNH-UHFFFAOYSA-N 467.529 5.358 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)/C(=C\c3ccco3)n3nnnc3-c3ccccc3)cc2)c1 728006066 QHNFUFVNKJFRIK-YZSQISJMSA-N 488.507 5.021 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(OCC(C)C)cc2)cs1 728156220 CFWCMNYKXQXIAF-JYRVWZFOSA-N 454.979 6.412 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C)s2)c1 728422757 FOTIWXGEAPYSDI-QFIPXVFZSA-N 490.610 5.097 30 20 JKED COc1cc(/C=C2/CCOc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 728442130 WYTRFQYTPPYSGT-JXAWBTAJSA-N 497.469 5.780 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3ccc(Br)cc3)s2)c1OC 729433738 MGWDMVXVXHJGBT-MRXNPFEDSA-N 457.349 5.189 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)c(C)c1 730713634 UHLXOWMRBGAIFN-XLIONFOSSA-N 479.631 5.185 30 20 JKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 731040288 PXUCBMSQDUOQMU-SJORKVTESA-N 469.566 5.153 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 731078621 RKNDXEIZGOIWKF-GJZGRUSLSA-N 465.402 5.606 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CC2(c3ccccc3)CC2)C1=O)Nc1cccc(O)c1 731307087 PJJPMHQSTJGQLO-HSZRJFAPSA-N 471.582 5.084 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cc(C)sc2C)c1 743514233 MMFCIACAMJYWPN-XOBRGWDASA-N 459.612 5.174 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccncc2)n(-c2ccccc2C)c1=S 745162750 VQWZMPKAWWMZLM-UHFFFAOYSA-N 472.574 5.328 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 745990752 IJRIVZIVEICTIY-SFHVURJKSA-N 484.380 5.129 30 20 JKED N#C[C@H](C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)c1nnc2n1CCCCC2 746416778 VXAZTNPYRYFLSI-MRXNPFEDSA-N 479.371 5.204 30 20 JKED COc1ccc(-c2cc(C(=O)NC3CCN(c4ccccc4C#N)CC3)c3ccccc3n2)cc1OC 747336687 STKZDZSQYSHWPF-UHFFFAOYSA-N 492.579 5.189 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3cscn3)C2=O)cc1 747603426 RQUQDCLPSWJBIC-JOCHJYFZSA-N 476.627 5.101 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2Cl)c1 791096062 VXSMBMZBBIYQBC-UHFFFAOYSA-N 495.910 5.387 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1F 799211167 JEAVQRQRCLAZDK-QGZVFWFLSA-N 484.767 5.379 30 20 JKED Cc1ccc(S(=O)(=O)c2ccc(NN=Cc3ccccc3OCc3ccccn3)cc2)cc1 819842063 JEWGUKANOWWYEE-UHFFFAOYSA-N 457.555 5.248 30 20 JKED C=CCN(C(=O)CCc1nc(O)c2cnn(C)c2n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 826916724 MGYBQXVPYBCDOJ-UHFFFAOYSA-N 496.596 5.011 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 837301319 VICSPNOOKYAKNF-VFNWGFHPSA-N 482.968 5.596 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(C3CCN(C(C)C)CC3)C2=O)c1 837301786 OPIGHAJHPZLMAC-VWLOTQADSA-N 492.689 5.445 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 837476195 OLQYXPKEZSSRFO-BWKNWUBXSA-N 486.641 6.037 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3ccccn3)C2=O)cc1 838235785 SVXZZPBVRFKBQZ-WZONZLPQSA-N 476.577 5.559 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(Br)c1 883977676 RMJOBPSWCSSTOP-MYJAWHEDSA-N 484.181 5.690 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914690878 IJXGDHLRXFGGKY-ACJLOTCBSA-N 495.642 5.294 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 915087439 UKHNRHTYSWQJDM-RUZDIDTESA-N 491.513 5.852 30 20 JKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)N1CCC[C@@H]1c1cccs1 915511923 JVPRASVMIWXFQK-FDDCHVKYSA-N 460.555 5.108 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@H]2CCCO2)c(C)c1 916206918 AXUSVMQGWQPGOF-NFBKMPQASA-N 465.619 5.060 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccccn2)C1=O 916215510 HPYVYNVZENKACG-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccco2)cc(Br)c1OCc1ccccc1 916318630 KYUJIIVMFIRYOK-UHFFFAOYSA-N 499.390 5.449 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 916438348 IWAXTSFGEDPYFI-HSZRJFAPSA-N 496.533 5.520 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916887073 KSAFYAWXUUMPKJ-QFIPXVFZSA-N 478.520 5.979 30 20 JKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906661 UNZSIGLJPBAAIG-OXJNMPFZSA-N 461.499 5.215 30 20 JKED N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997473 YLTFYLPVCOOKMF-SFHVURJKSA-N 482.392 6.971 30 20 JKED CCOc1cc(/C=C\C(=O)c2cn(C)nc2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 917520403 NNYBRESHLRVLBP-NTMALXAHSA-N 487.478 5.060 30 20 JKED CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CC2 917560500 ORAVWSVKTOYBRH-PTNGSMBKSA-N 468.506 5.257 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccsc3)C2=O)c1 917663982 RSOZQSRCUOMMSY-NRFANRHFSA-N 465.600 5.226 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)c1OC 917682520 JTBUQPXYCSVEOB-QHCPKHFHSA-N 489.597 5.173 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1 917807524 HSVDNVJUPOMLPW-DAFNUICNSA-N 489.688 5.011 30 20 JKED COCCOc1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 918713233 GPRBNDGNXLYCBT-CMDGGOBGSA-N 463.477 5.759 30 20 JKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)on1 920016848 KKLOMERKTCDIGO-UHFFFAOYSA-N 455.539 6.500 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc2cc(Cl)ccc2s1 920112846 LPRZOZWAJYASQZ-LLVKDONJSA-N 450.397 6.207 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cc(C)on3)C2=O)cc1 920353025 ZCHIUCVWCVIHEG-HSZRJFAPSA-N 492.601 5.159 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c1C 920354022 YCYVLLBCQWMUPD-JOCHJYFZSA-N 462.575 5.069 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1=S 920486845 QPOOUZUNHGZTRX-KRWDZBQOSA-N 478.062 5.115 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc(-c2c(F)cccc2F)cs1 920806784 PRAQLZCLDSGZCU-WMZOPIPTSA-N 473.504 5.471 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 920868292 JOUNOACKBVWWDP-VLIAUNLRSA-N 477.989 5.030 30 20 JKED COc1cccc(C=Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1O 920945716 BISMIGKJSCHLKC-UHFFFAOYSA-N 451.331 5.259 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2CSc2ccccc2)C1 1781100562 LFPZYZJDRMBDTD-HTVKSSQMSA-N 492.685 5.319 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1785842161 RPUZPXIQTRSPRT-HXUWFJFHSA-N 483.653 5.370 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc2)CCC1 1786242757 XTMLJJJCYFADAR-NRFANRHFSA-N 457.615 5.026 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccoc3C(F)(F)F)CCC2)cc1 1786366274 YHVSYBPFDALWAT-UHFFFAOYSA-N 450.457 5.029 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c(-c5ccc(F)cc5)c4)cc3)CCC2)c1 1787134558 LUPTWRNHIZGHOT-UHFFFAOYSA-N 467.504 5.082 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787134596 OLJQYFIIWCOUOK-GOSISDBHSA-N 476.552 5.369 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn(C)nc4C(F)F)cc3)CCC2)c1 1788842282 GFQCBJOFQSIPGY-MRXNPFEDSA-N 477.515 5.046 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(Oc5ccc(Cl)cn5)cc4)cc3)CCC2)CC1 1788883688 GCADXFQUBGETCC-UHFFFAOYSA-N 486.959 5.579 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(cnn4C)c3OCC)CCC2)cc1 1789625855 BGBNLVMBENORGG-UHFFFAOYSA-N 489.620 5.107 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cncc4cnccc34)cc2)CCC1 1790010841 JCPHFJZAVFHMNP-UHFFFAOYSA-N 484.676 5.429 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4OCCc5ccccc54)CCC3)cc2)c1 1790072704 HRGSSWGEMQKLLG-MHZLTWQESA-N 495.579 5.019 30 20 JKED CC(C)c1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)co1 1790764421 YHSFWSOJFMBBLJ-UHFFFAOYSA-N 462.937 5.385 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccccc3N3CCCCC3)cc2)CCC1 1790785480 CXQSSBIQUJNBRZ-TWKHWXDSSA-N 484.600 5.137 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4SC=C[C@H]43)cc2)CCC1 1791089329 OSKGIDXAHCTLBL-WWNPGLIZSA-N 452.696 5.047 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1 1791104001 AVWIVQLXBDONNI-UHFFFAOYSA-N 485.609 5.228 30 20 JKED COc1cccnc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123277 SAKMMATUKSFYBL-HXUWFJFHSA-N 482.584 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccccc5n4)CCC3)cc2)c1 1792123684 PCOOSKYRYOCSHQ-LJQANCHMSA-N 463.541 5.023 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4occc4Br)CCC3)cc2)c1 1792123948 VDOFSFYMMQFZKN-INIZCTEOSA-N 492.373 5.731 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1 1792376309 WYSQHLWZVQBIKR-SANMLTNESA-N 472.652 5.917 30 20 JKED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793210516 BDCHPFNCXBQAEC-DJDCMSNXSA-N 463.087 5.206 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1C(F)(F)F)c1cc(F)ccc1C(F)(F)F 1797020112 ZEQDWIOMJFALCV-CLLJXQQHSA-N 478.364 5.022 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1797905066 FNMDCKUTCKKKON-BXXSPATCSA-N 489.701 5.044 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1798398147 YTUWSGAQXMIMDH-JTNFPWQOSA-N 498.623 5.457 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(Cl)c2)cc1C#N 1799623854 PIVHGGVBDNUZQC-ACDBMABISA-N 486.399 5.218 30 20 JKED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)cc1 1800278523 QWXZUKZCZNDKHW-LLNGEMMXSA-N 499.561 5.251 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1802503792 UFRXAMDULBDSBO-MBSDFSHPSA-N 497.064 5.657 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1803986165 PPDKUWPENMPKCN-ULVUTOHESA-N 479.587 5.449 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cccnc4-c4cccc(C(F)(F)F)c4)CC3)C2)C1 1804778127 RIBYQKMCJOCJGN-UHFFFAOYSA-N 497.561 5.578 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@H]1c1cccnc1 1804862067 WENOLHCZRVGIBL-DANFDKMISA-N 498.627 5.173 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1808890235 STNZCURDOROJLM-BKMJKUGQSA-N 493.051 5.533 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc4c(s3)CCCC4)[C@@H]2c2cccnc2)c1 1809772919 NWHORFRZEGMITH-BRBPODBZSA-N 498.652 5.282 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1810173575 JIQXQZJWGNUIMP-KUXCXQDQSA-N 469.629 5.053 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCNc2ccc(C)cc2C)[C@@H]1c1cccnc1 1810368720 IBSNPAAFORTMNG-IGKIAQTJSA-N 476.665 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810497819 IIJBRCKNXKNKAQ-KAGYGMCKSA-N 471.692 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1810499687 HFWVGWLWWLNZCN-QPPBQGQZSA-N 459.590 5.448 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810948958 ZBOWIEFLNBXNCS-MZKRTTBSSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@H]1c1cccnc1 1811108321 IHCQELPZBGBNEB-LAUBAEHRSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1811207618 RDNWKBMICXYEEK-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1811695750 UHJHHAFPAZZSNK-HWHXTQLESA-N 491.682 5.012 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1811998535 QLZHDKYPTJZNRS-JXFKEZNVSA-N 482.358 5.228 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1812589509 FWUUCIDWPGSRMF-XERREHJYSA-N 479.930 5.286 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812591399 XKQUFUISMODVOL-UGZNWAIPSA-N 468.041 5.393 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)[nH]n1 1814441898 UJXIAOZEUMGVKM-OAQYLSRUSA-N 483.016 5.167 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816202641 GOGWHBRAUUCFJJ-HXUWFJFHSA-N 471.483 5.061 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[nH]n1 1817123626 MMTVHTYAUHZJSL-RCZVLFRGSA-N 477.515 5.217 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817212081 KCEZWKZAAQBMGG-NGCZYSEMSA-N 487.648 5.548 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)[nH]n2)cc1 1817741875 XODJICUPAJJIJF-URXFXBBRSA-N 477.634 5.040 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)n[nH]1 1818160818 QTZLCBGPOYJEBX-OFNKIYASSA-N 489.576 5.148 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2)n[nH]1 1818229002 ZMXVDDWBBMCKJX-QPPBQGQZSA-N 469.589 5.546 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1819554026 ADTJSGJCAPVHQE-INIZCTEOSA-N 452.477 5.320 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)[nH]n1 1819556028 PFDBTOSEZFHATK-SFHVURJKSA-N 468.989 5.238 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)CC2 1819598052 RQLZLMCHINKSCJ-WJNZCMKWSA-N 490.673 5.202 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[nH]n1)C(F)(F)F 1821991957 DKILHEMWLXQVPN-BMFAXAFESA-N 452.521 5.127 30 20 JKED CNc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1826854121 RNRXNNVYOSXOAM-DEOSSOPVSA-N 498.549 5.166 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccco4)no3)CC2)c(Cl)c1 1827419071 VHQBYQYTSAEUKL-QFIPXVFZSA-N 492.963 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828253684 DKYHPFQKKYYDFI-ISKFKSNPSA-N 465.663 5.606 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 1828822003 BYLJSPZRPMFVCF-SIKLNZKXSA-N 463.544 5.102 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906788 HYROKJYAFIJEEQ-JYFHCDHNSA-N 482.741 5.125 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccco2)CC1)c1ccccc1 1829029892 HNYUUJYJNPKRHU-LSZUOZHKSA-N 458.602 5.110 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C)c3ncccc23)CC1)c1ccccc1 1829031724 DGJVXUZGIHJYBG-NAKRPHOHSA-N 496.655 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1 1829068043 BDISTQDGPOKELI-XMMPIXPASA-N 479.665 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(OC)c2)CC1 1829070330 HPVMIBNSMUNYAJ-ZOGNMOHXSA-N 452.639 5.321 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576976 WWRMWCITFCOWIQ-DEOSSOPVSA-N 471.626 5.096 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829596945 UYLGTWPBVSRDCV-RUZDIDTESA-N 485.653 5.543 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 1829678833 WZSSIEVOQWJUKW-NDEPHWFRSA-N 481.596 5.267 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830532879 XFNGLHRGPSPMKM-KRWDZBQOSA-N 468.413 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3onc4ccccc34)CC2)c1 1830926218 FGQFRDKPPAYZAA-KBMIEXCESA-N 470.573 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCc3cccc(OC)c3C2)CC1 1831299402 HWIRVMXGGQLVOM-ZWEKWIFMSA-N 478.677 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831376730 RUFMXQSXFXXLSU-RXFWQSSRSA-N 476.617 5.072 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1831947982 BGXMZGGUUJGWMH-FQEVSTJZSA-N 456.936 5.097 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@@H](S)C(C)C)CC3)c[nH]c2c1 1832960825 QLFNZGIAPCYTEO-IPIHODNOSA-N 467.679 5.064 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832962270 QLOCEQPQMXQCQB-DRBUTMMVSA-N 469.576 5.321 30 20 JKED Cc1ccc2cc(C(=O)N3CCC(OC4CCN(C(=O)c5ccc(C#N)cc5)CC4)CC3)sc2c1 1838593169 UOBMXWCYSMOCDK-UHFFFAOYSA-N 487.625 5.007 30 20 JKED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845546868 JIPKSIXPADYKKY-UHFFFAOYSA-N 476.523 5.661 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2sc4ccccc4c2Cl)C3)c1 1846830049 RHPXKNQPJJVBKO-INIZCTEOSA-N 463.990 5.313 30 20 JKED N#Cc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)c1 8629270 SLAUBKXHEMIYNV-XSFVSMFZSA-N 475.504 5.094 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10168780 GFTSKRKKTGXVIM-UHFFFAOYSA-O 479.669 6.849 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc(CC)cc2)cc1 10174206 NOXIPQIXOYFSOF-UHFFFAOYSA-O 473.540 6.048 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2ncc(-c3ccccc3Cl)o2)n(C2CCCC2)c1C 12256674 PJIZIWUPPMAXJC-UHFFFAOYSA-N 494.979 5.515 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cccc2c1=O 21844553 HKWPVWNIRYIGFU-INIZCTEOSA-N 498.560 5.374 30 20 JKED C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC 22080265 NHRBRBOXUDZPQY-UHFFFAOYSA-N 467.447 5.640 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22692668 SYJBWZPQKLPMSV-UHFFFAOYSA-O 469.577 5.287 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1 23608134 MJEPKKANDQJXST-NRFANRHFSA-N 485.613 5.631 30 20 JKED COc1cc(C#N)ccc1OC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 24003677 JMDJRKUIEHEKOH-UHFFFAOYSA-N 491.619 6.055 30 20 JKED Cn1ccnc1[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 26885262 JTEUWCVNJORZGM-GHOSXJJBSA-N 471.376 5.516 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 46538183 PXMDUIKLTUGMGE-UHFFFAOYSA-N 466.850 5.592 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 108669794 VWKVTSWDVDMVEF-UHFFFAOYSA-N 471.326 5.191 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)c2)c1 109644380 SDIZDNDEXDQYDQ-UHFFFAOYSA-N 481.409 5.128 30 20 JKED C=CCn1c(SCc2nccn2CC(F)(F)F)nc2sc(-c3ccccc3)cc2c1=O 116787461 ZATGLAAVSOUBOV-UHFFFAOYSA-N 462.522 5.362 30 20 JKED CN(c1ccccc1)c1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cn1 195609103 ABTFXIXZYNLRLS-UHFFFAOYSA-N 458.572 5.117 30 20 JKED C=CCN(C(=O)CSc1ncccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1 195720847 HQZBLESRGCKRKF-UHFFFAOYSA-N 481.386 5.731 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1 302974293 SZFYFJNJVOSTCY-UHFFFAOYSA-N 487.478 5.840 30 20 JKED N#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(OCc2ccccc2)cc1 303219637 UOPPURQNPKCIMO-JYFHCDHNSA-N 487.987 5.152 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3ncc(-c4ccccc4Br)o3)s2)cc1 410047808 RVMCDUUWHFSTHT-UHFFFAOYSA-N 493.386 5.594 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2cccc(F)c2)nnc1-c1ccc(Cl)cc1Cl 490549286 YKSMVIRRUYXZHX-FQEVSTJZSA-N 491.419 6.033 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1 490647240 IWFWWXXWCUXBIT-UHFFFAOYSA-N 459.509 5.294 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)cc1 498380040 ZTTMLPKDLJKBAX-UHFFFAOYSA-N 471.003 5.821 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 500486030 JWCRZOCAZNQMKV-UHFFFAOYSA-N 455.388 5.267 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Br)c4c(c3)OCCO4)n2)cc1 501281971 DBSUWSSSEDGYFB-OAHLLOKOSA-N 455.333 5.142 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)CC2)c(F)c1 504966037 UXEKLKHXGCJSGY-UHFFFAOYSA-N 461.349 5.090 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 505691741 KDSSOAPXNZEGCV-UHFFFAOYSA-N 489.616 5.943 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510057264 RLNVNPYSWLAZQR-DEOSSOPVSA-N 469.976 5.611 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 511701066 OLJDNKTXSPVRMJ-GOSISDBHSA-N 476.023 5.250 30 20 JKED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513984380 BSGPPVUDGJVNCM-UHFFFAOYSA-N 456.521 5.132 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 515749312 PCROSVDVECNFLU-HHHXNRCGSA-N 480.568 5.046 30 20 JKED Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)s1 517526757 CCDULZQCBZPGBZ-HXUWFJFHSA-N 477.655 5.661 30 20 JKED C=CCN(C(=O)C[C@@H]1CCCc2ccccc21)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 518111448 CXELTXICQGUYNB-FQEVSTJZSA-N 466.628 5.243 30 20 JKED CC(=O)Nc1cccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518148012 MRUBDWOHMJHTPY-CYBMUJFWSA-N 450.486 5.109 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 518207580 MOEJNHKRFAGHAL-OAHLLOKOSA-N 470.150 5.108 30 20 JKED CCCOc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 518789698 VJQCHGAAWKFHKX-IBGZPJMESA-N 460.599 6.139 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)c2)c1 519186981 YMATTZQGDMIKQU-UHFFFAOYSA-N 466.497 5.343 30 20 JKED CC(C)(C)OCc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 523201369 UDNZEDXUBFXYAO-UHFFFAOYSA-N 457.574 5.968 30 20 JKED CN(CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1)Cc1ccc(C#N)cc1 577513402 PQTSZXSBVZBXRL-UHFFFAOYSA-N 470.573 5.486 30 20 JKED Cc1c(C#N)c(NC(=O)CCN2CCc3sccc3[C@@H]2c2cccs2)n(Cc2ccco2)c1C 590932001 ONPCAQKPAXNYHT-RUZDIDTESA-N 490.654 5.717 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(C#Cc2cccs2)c1 602343080 UNCZQNYIGHGTCY-QFIPXVFZSA-N 469.031 5.292 30 20 JKED Cc1ccc(-c2cc(-c3nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)o3)c3ccccc3n2)cc1 603597655 MUAWGMZFVRUVMG-MYUZEXMDSA-N 485.613 5.795 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccnc(OCc4ccccc4)c3)cn2)c1 603692040 POZZENRGDUTIMB-UHFFFAOYSA-N 451.486 5.041 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)c2)c1 603995348 FSOLGRYDCBMGBJ-UHFFFAOYSA-N 471.904 5.085 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 604358233 FOBLAMLDYQOBMJ-UHFFFAOYSA-N 480.490 5.928 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2)cc1 604464484 CFDWVWNVARGTSJ-GJZGRUSLSA-N 499.411 5.315 30 20 JKED N#C[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(OCc2ccccc2)cc1 609173063 KTCNNDPPXBPTNZ-GGAORHGYSA-N 477.973 5.103 30 20 JKED CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208523 PQVBKXKDMHICDS-FQEVSTJZSA-N 485.462 5.273 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 609401965 NLPFUTVPAQQNBP-LJQANCHMSA-N 458.587 5.081 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609436591 RXVODEMPAHSOPL-UHFFFAOYSA-N 477.392 5.264 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 609437665 IAYPTRGANLTRPI-WMZHIEFXSA-N 455.583 5.194 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CNCCSCc2ccccc2C#N)cs1 611560141 WLOUHTUMRBDFIW-UHFFFAOYSA-N 450.633 5.339 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCC(=O)N1CCCC1)c1nc2cc(C(F)(F)F)ccc2s1 613404012 IVCBOJFTSBSSNZ-MRXNPFEDSA-N 489.544 5.520 30 20 JKED O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618303605 NSLDIFAXOXNNBV-RKDXNWHRSA-N 483.783 6.776 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3nc(C)sc3c2)nnc1-c1ccc(Cl)cc1 641986721 AVGGRCQSGYOPER-UHFFFAOYSA-N 455.996 5.433 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)s2)cc1OC 642282508 YNLUWRVGDXHYKG-AWEZNQCLSA-N 468.485 5.371 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@H](CNC(=O)C(C)C)C2)c1=S 726181724 DZZKVVQFQWQITB-HXUWFJFHSA-N 469.699 5.006 30 20 JKED Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(Cl)cc1Cl 726571947 PBKCPNGCVOEDBI-UHFFFAOYSA-O 491.807 6.143 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 728062606 QGEIRGOZQQGZMA-AWEZNQCLSA-N 485.327 5.791 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 728422986 IBCJATOTSKNCHV-XMMPIXPASA-N 479.565 5.200 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 728423782 QEESRLKYRGXTLO-YADARESESA-N 483.597 5.292 30 20 JKED O=C1/C(=C\c2cccnc2Cl)CN(c2ccc(F)cc2F)C/C1=C\c1cccnc1Cl 728697877 YPWQYHQAZXPXIN-ZAGBYUSBSA-N 458.295 5.618 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1 728778087 OKLXUWNCXNGVOK-OXCJDURQSA-N 482.631 5.034 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1F 728779054 XAJNPEGOXYGTBP-LJQANCHMSA-N 476.936 5.272 30 20 JKED Cc1c(NC(=S)NN=C(CCc2ccccc2)Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 729140731 LWXYCHHISKDUSJ-UHFFFAOYSA-N 483.641 5.002 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3scnc3C)C2=O)c1 729144618 WAIMKSGIAMBCRO-HXUWFJFHSA-N 482.606 5.368 30 20 JKED CC(C)n1ncc2cc(/C=C/C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c(=O)[nH]c21 729319409 JZIOBJZBEQWFTR-NJTIBFSMSA-N 471.948 5.266 30 20 JKED CCC(CC)CN(CCC#N)Cn1nc(N2CCCCC2)n(-c2ccccc2OC)c1=S 729471052 NJDQZICNCPECIV-UHFFFAOYSA-N 456.660 5.012 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)cc1 729634646 POMQRKDCWIPNGY-XMMPIXPASA-N 472.614 5.476 30 20 JKED COc1cc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cc(OC)c1OC 730435940 HRXRFQODJXXFJY-UVTDQMKNSA-N 486.387 5.811 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c(C)c1 730712158 JDEKDYVFXNXVOV-DEOSSOPVSA-N 484.581 5.605 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cocn3)C2=O)cc1 730714440 YJYNZUMETJEXRF-HSZRJFAPSA-N 492.601 5.241 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCOCC2CC2)C1=O 730943878 LYIVGPXWZXYQMA-OAQYLSRUSA-N 472.010 5.035 30 20 JKED COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c(F)c2)cc1 731079251 RYGIAIXIAAXARK-QGZVFWFLSA-N 478.545 5.691 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@@H]1C 731079890 WRNZQHXZUPUGNP-OALUTQOASA-N 489.597 5.421 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2cccs2)C1=O)Nc1cccc(O)c1 731305991 QYIJPOUVUUEKGM-FQEVSTJZSA-N 486.018 5.310 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1cccnc1 731311028 VCYWPSFCOCOAIB-XMSQKQJNSA-N 474.586 5.126 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1c(C)cc(C)cc1Cl 745989249 NLRWQOXWSYFJDO-IBGZPJMESA-N 457.983 5.112 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1 746696523 OOXURNHDUHZWFG-QHCPKHFHSA-N 467.635 5.389 30 20 JKED COc1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)ccc1S(C)(=O)=O 747066392 JQUUBDFSAAEFEF-KAMYIIQDSA-N 486.593 5.464 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2)n1 748037226 ZJTXKVJGESIORT-HXUWFJFHSA-N 498.967 5.043 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC(F)(F)F)c1 799216503 YFELWLNMJDRXBR-HNNXBMFYSA-N 490.334 5.824 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CC(F)(F)F)C1=O 799219454 SSBDYWGAPOCTCV-INIZCTEOSA-N 490.334 5.824 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@H](C)c3ccc(Cl)cc3Cl)nc(O)c2C#N)cc1 824955237 VNYHUOLHQJEIBZ-GFCCVEGCSA-N 489.384 5.006 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2cccc(C(F)(F)F)c2)no1 836735446 UJDJMLNSKQOTCI-UHFFFAOYSA-N 468.229 5.367 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 837838760 DTQWWJKOXNTCGY-VGSWGCGISA-N 462.550 5.251 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCN(C4CC4)CC3)C2=O)cc1 838231314 KHDTYZIHHMTSQE-XMMPIXPASA-N 494.636 5.030 30 20 JKED N#CC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)CCCC1 843372988 QLCVTMIMSIYPTF-UHFFFAOYSA-N 472.781 5.014 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)cc1 915086331 TWGRIGLZDRGRCI-QFIPXVFZSA-N 489.578 5.162 30 20 JKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 915774534 BVLLDXBSEWLPDB-RPBOFIJWSA-N 457.549 5.713 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O)Nc1ccccc1F 916212390 MJSMPADNLPOAIG-LJQANCHMSA-N 457.914 5.233 30 20 JKED CCOc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc(Br)c1OC 916546335 LZVOKYOURKJWHP-UHFFFAOYSA-N 481.803 5.276 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(COc2ccc(F)cc2)n1 916909568 POUPKQPXFGVYPF-HXUWFJFHSA-N 487.512 5.615 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccccc2Br)cc1 916912851 SKCOKMKHOACXNK-KRWDZBQOSA-N 483.749 5.643 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1)c1ccc(Br)cc1 916974152 FGUKFTTYIFMUPI-VQTJNVASSA-N 482.403 5.325 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976964 YMPOENZKKXJOQA-FUHWJXTLSA-N 470.381 5.342 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044696 UCHUMVOYHBDUAA-CRAIPNDOSA-N 469.488 5.033 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 917504411 CFGUYVUEUPKGAM-IRXDYDNUSA-N 454.592 5.226 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc2c(c1)CCO2)[n+]1ccc(Cc2ccccc2)cc1 917612490 UAMOINCBVVBLJH-UHFFFAOYSA-O 490.608 5.695 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C(F)(F)F)c2)n1 917656068 UIVBUBPECPHTML-OAQYLSRUSA-N 498.530 5.569 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C#N)cc1 917665002 PTZVPJCLEDFTKO-QHCPKHFHSA-N 472.545 5.166 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cccc(C)n3)C2=O)c1 917678925 VHHWVHIHPJIRLK-QHCPKHFHSA-N 493.032 5.821 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 917712079 CSQRCFAUGVKPBT-YADARESESA-N 472.614 5.927 30 20 JKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)n1[C@@H](C)c1ccccc1 918658860 KMVCEBXUYMXLHF-QFIPXVFZSA-N 463.581 6.612 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc(C)cc3Br)n2)cc1 920139368 SJSCHTXEIJBEGJ-VOCYLRNQSA-N 453.361 5.779 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)s1 920167857 FKHXMSYSGMKCIW-OPAMFIHVSA-N 492.601 5.789 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2cscn2)c1 920280789 OJCCXLBOYZDYDN-UHFFFAOYSA-N 496.441 5.103 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)cc1Cl 920324169 MOJNXEONRRQBPX-OAQYLSRUSA-N 470.916 5.162 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3c(C)noc3C)C2=O)cc1 920352025 JAKDDQIJKRBRCW-VWLOTQADSA-N 498.608 5.914 30 20 JKED C#CCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 920406485 QBMCJUZRTIHEMT-FQEVSTJZSA-N 470.476 5.046 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1oc2ccccc2c1CSc1ccccc1F 921215979 HDFLFAJMYGBCBR-XMMPIXPASA-N 454.523 5.075 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CSc2cc(Cl)ccc2Cl)n(Cc2ccco2)c1C 921246207 BBYQWHBSERUMBH-UHFFFAOYSA-N 492.384 5.199 30 20 JKED CC(C)(C)c1ccc(NC(=O)CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)cc1 1644838541 XOUJVUKTFANHMY-UHFFFAOYSA-N 453.546 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CCO2)C1 1779240278 HMOPIGPHGNQRRV-SSEXGKCCSA-N 485.628 5.042 30 20 JKED CCOc1ccsc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785880137 ZGBKXZZHLCFPOA-UHFFFAOYSA-N 459.571 5.009 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3Oc3ccccc3)CCC2)cc1 1788029475 ALIAWDBVDAJTLW-UHFFFAOYSA-N 496.611 5.508 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncoc5c4)cc3)CCC2)cc1C#N 1789078967 IGYAHMRHHABMHW-UHFFFAOYSA-N 494.551 5.548 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H](C)CCCN3C(=O)OCc3ccccc3)cc2)CCC1 1789215935 IRZWXPKYCHLODQ-RLWLMLJZSA-N 489.616 5.134 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)cc1 1789488914 BCAONSZXVCPTOV-WLIVSFIBSA-N 476.646 5.207 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1789495628 NFMORIRADCKQOB-AREMUKBSSA-N 497.595 5.749 30 20 JKED COc1cncc(CCC(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c1 1789507560 IHOKENNNDMLAGW-UHFFFAOYSA-N 491.708 5.208 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(C)=O)o3)cc2)CCC1)c1ccccc1 1789517370 ABHDRJDXSVIILV-XMMPIXPASA-N 483.568 5.183 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(C)=O)o3)CCC2)cc1)c1ccccc1 1789600175 FFWRBVRJRQUJHT-XMMPIXPASA-N 483.568 5.183 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C(F)(F)F)n4)cc3)CCC2)cc1 1789748519 YPOHHKRRJBSCJD-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)nn3C)cc2)CCC1 1789841609 CSWMKYBZNAIAHD-SFHVURJKSA-N 493.007 5.079 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789934590 KTBYTMCQGPUNJD-QRGYCXFASA-N 498.583 5.025 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5[nH]c(C)cc5c4)CCC3)cc2)c1 1790075895 QSMXTWUTLFXXBQ-UHFFFAOYSA-N 478.552 5.418 30 20 JKED CCSc1cccnc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1790210075 AADDLQAGEQBTFS-UHFFFAOYSA-N 488.588 5.195 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)cc1 1790287760 SQBHHAKKGHLUEX-UHFFFAOYSA-N 464.447 5.034 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)c(C#N)c1 1790472989 GJPLMKQQQJXFHD-UHFFFAOYSA-N 484.581 5.100 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1790509594 KWAYDMGBPNSUPL-UHFFFAOYSA-N 479.964 5.078 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791253881 JSRLQFQNOLDKML-NIYFSFCBSA-N 487.616 5.072 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)CCC2)cc1 1791730020 CZBGEWZQLFFCFC-OPHFCASCSA-N 493.648 5.102 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)C#N)c1ccc(OCc2ccccc2)cc1 1792710968 SRNJUSZCXLKTQQ-SPGPFUFCSA-N 487.644 5.193 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]31)C2 1798420440 NFKFEWCFPQXCDW-GDHSZCHUSA-N 456.747 5.282 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(F)CCCCC1(F)F)C2 1800410525 YKXSIXJCHWBNAI-PSUSHLJKSA-N 480.424 5.014 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)CC1 1802966693 HBFQMNLMTHKYGY-SAHYYXHWSA-N 478.036 5.009 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1803084003 LUFVZDSJDAXCJA-NBGIEHNGSA-N 494.060 6.038 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1803091087 MMJBDSOIERDPKO-XUZZJYLKSA-N 451.998 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cn4c(C(F)(F)F)cccc4n3)CC2)C1 1804866871 RLDIGPIXWUFQLZ-UHFFFAOYSA-N 490.570 5.190 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3ccc4c(Cl)c5c(nc4c3)CCCC5)CC2)C1 1805047266 BWKABWXABDLHHQ-UHFFFAOYSA-N 493.051 5.162 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@H]4CCc5cccc(Cl)c54)CC3)C2)c1 1805328710 HDTDRTNRPSGNCM-DEOSSOPVSA-N 490.047 5.105 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1810171078 CQPQAWOVRJNKHO-BSAXFNKYSA-N 469.585 5.315 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1810172376 JLNMWFJQBGADSL-PQNGQFLHSA-N 474.630 5.088 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)[C@H]2c2cccnc2)c1 1811793112 NLBQDXRWXRWXIW-JPYJTQIMSA-N 497.357 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1811948804 PBXWBRCNEHUAGU-IFMALSPDSA-N 473.539 5.412 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1813828252 ZSLYJMMYLBUGEB-XUZZJYLKSA-N 451.998 5.131 30 20 JKED C#CC(=O)N1CC[C@H](CNC(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814162364 ROKQOEIUNYUAME-GGXMVOPNSA-N 459.634 5.084 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[nH]n2)C1 1814397441 IQDMVFQKNWMLDC-JOCHJYFZSA-N 469.545 5.423 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@](C)(OC)c2cccc3ccccc23)n[nH]1 1814407731 BPOBPXZYFYQKKR-IRPSRAIASA-N 486.616 5.310 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c1 1814738831 GLRVMQHNELNDKL-DQRYEYLNSA-N 459.594 5.043 30 20 JKED Cc1nc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)c2s1 1818535008 SRNBJOKMRSEXEH-HSZRJFAPSA-N 498.612 5.138 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(F)CCCCC2(F)F)n[nH]1 1818884652 BNVFRYRQFHZHEL-PGRDOPGGSA-N 452.521 5.088 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3[nH]2)n[nH]1 1818978995 JTFOFFNEZPQEFR-JLTOFOAXSA-N 484.398 5.172 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2ccccc2F)[nH]n1 1819303162 QUFNAJIKGLZKEG-NZQKXSOJSA-N 452.574 5.332 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)[nH]n1 1819556623 IIEDSGIGECVOKT-FQEVSTJZSA-N 458.990 5.370 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820080321 UKJDEFCVGLDOTJ-AREMUKBSSA-N 493.611 5.829 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437263 COMWSVGIHUVQDI-CVDCTZTESA-N 489.576 5.309 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)CC1 1820976827 XZLPLDCYEBIQOX-NDDJGDGRSA-N 482.650 5.509 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)cc1 1821180434 ULCMDUWDGKKGQM-JHUUHBRDSA-N 479.540 5.241 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cccnc34)[nH]n2)c(Cl)c1 1821277928 MMHZHZQYLRNGOV-QFIPXVFZSA-N 484.947 5.103 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)[nH]n1 1822393689 BEGNEYVEGLDPNR-LITSAYRRSA-N 497.643 5.079 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)CC1 1824153860 RCYINUQXYUSQAR-VWLOTQADSA-N 481.681 5.408 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1824500842 DXDUABZKNLRAPA-IBGZPJMESA-N 460.665 5.179 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)CC2 1826039824 AGYHMFUIAULWME-KRWDZBQOSA-N 488.638 5.382 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1)c1ccc(O)cc1 1826262188 CEMGERGODPWRQM-XNMGPUDCSA-N 464.650 5.089 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)cc1 1826572154 WVCZNNVPQUSXPL-SANMLTNESA-N 478.036 5.007 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1826691049 KSUDNWDCNJNIQP-HSZRJFAPSA-N 482.422 5.139 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)s2)CC1)c1cccs1 1827681597 KYYSIZMJQFCPSE-XSBJJCPUSA-N 491.078 5.064 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830015992 ZKSJMTPHTMCNFM-AVRDEDQJSA-N 467.660 5.034 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)cc1 1830057235 IVAVOYAVNDNWAS-SANMLTNESA-N 483.616 5.105 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2F)CC1 1830546304 ZPRGINWZICIMQJ-BTYIYWSLSA-N 483.397 5.173 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 1831315735 STHMJAPGQUVKOJ-JOCHJYFZSA-N 498.611 5.057 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1831371190 UYNBOVIZFZBQPU-CJFMBICVSA-N 463.597 5.333 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1831374569 QXWAMXVIDTWDCC-OXQOHEQNSA-N 454.508 5.290 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832627222 ADEOTPBDWNDLDZ-BVZFJXPGSA-N 481.999 5.653 30 20 JKED C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3cccc(Br)c3)cc2)C1 1845561282 DXDRPEBVHGGALX-SFHVURJKSA-N 467.407 5.145 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccccc1 9447720 SMYVXVYCZURGJF-LBPRGKRZSA-N 467.809 6.211 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)nnc1-c1ccc(Cl)cc1 10240228 VHOJOIRGOFLLTI-UHFFFAOYSA-N 479.005 5.699 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 10832385 IBKWECRDDCKNMF-UHFFFAOYSA-O 489.064 6.225 30 20 JKED O=C(C[C@H]1S/C(=N\c2ccccc2C(F)(F)F)NC1=O)Nc1ccc(SC(F)F)cc1 15231604 AEODILLJQPDJMI-CQSZACIVSA-N 475.464 5.268 30 20 JKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nc2sc3c(c2c1=O)CCC3 18774026 MHOVIMRSEVGUNE-UHFFFAOYSA-N 470.645 5.407 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12 20068261 XWYQVGWVSZQMRG-UHFFFAOYSA-N 450.589 5.208 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccccc1Br)[n+]1cccc(C)c1 28811004 KJWAOOBRHUZICG-UHFFFAOYSA-O 454.413 5.658 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3nc(C)c(SCC#N)s3)[C@H]2c2cccs2)cc1 107899211 HPNAZUHMWFNGEB-LPHOPBHVSA-N 468.629 5.170 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 108695104 IGWRVSONEBXBTG-UHFFFAOYSA-N 483.597 5.206 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Br)c3c(c2)OCO3)cc1 195627363 HAJWQHPJXBTRBV-UHFFFAOYSA-N 465.303 5.075 30 20 JKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cs2)c(C)c1 195735393 LUTRORASXDTMCA-INIZCTEOSA-N 460.584 5.094 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(O)c2c(C)c(C)sc2n1 255931302 WQTUPZJGQXJALI-UHFFFAOYSA-N 474.011 5.316 30 20 JKED O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCC#Cc1cccc(C(F)(F)F)c1 303019759 ZGPAZVXDLIBXSG-UHFFFAOYSA-N 467.472 5.169 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1ccc(C(F)(F)F)cn1 502717052 VQOQDZNTFZTDOL-JOCHJYFZSA-N 497.480 6.050 30 20 JKED O=C(Nc1cccc(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502874072 BRIFQRCVABREMP-UHFFFAOYSA-N 452.717 5.350 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 508460533 ZEVNGRCXSXWHNZ-XMMPIXPASA-N 493.519 5.158 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 509568403 DGQOMYVWLANBCZ-UHFFFAOYSA-N 469.950 5.052 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 510583015 FYJKPKKCBDOGPD-FQEVSTJZSA-N 497.418 5.746 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 511578452 SGNBHYSMHHOOSM-XMMPIXPASA-N 461.949 5.706 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1C 512916353 IOJDOXXHLJOFEG-OAHLLOKOSA-N 477.417 5.778 30 20 JKED C[C@@H](NCC1(c2ccc(Cl)cc2Cl)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 513174519 UZFLSJJIFGEFGW-CQSZACIVSA-N 466.796 5.183 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC(F)F)nnc1-c1ccc(Cl)cc1 514574463 CVLUEXYGGNPXDU-UHFFFAOYSA-N 480.924 5.125 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)NC4(C#N)CCCCC4)o3)c3ccccc3n2)cc1 515340078 LKYWGSOBJWRUAL-UHFFFAOYSA-N 483.597 5.695 30 20 JKED C=CCn1c(SCC(=O)NCc2cc(F)ccc2Br)nnc1-c1ccc(Cl)cc1 515650573 BZTXAZCWWIDESB-UHFFFAOYSA-N 495.805 5.095 30 20 JKED C=CCN(C(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516069835 LHLDENQFOJFWPB-QTGUNEKASA-N 490.691 5.210 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4cc(Cl)ccc4c3Cl)n2)cc1 517800874 MSAGEZIXHNVAPV-HNNXBMFYSA-N 454.363 6.693 30 20 JKED Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 517821552 RXMUNJOQZGNNGB-NRFANRHFSA-N 471.904 5.556 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O 518141399 SPEHUXSFXZUTHB-GOSISDBHSA-N 464.587 5.766 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)n2)cc1 518912462 NNDPFASZMAKSQZ-QFIPXVFZSA-N 481.581 5.703 30 20 JKED C=CCn1c(SCc2cnn(C)c2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 519170675 YNBGOSHMGZMFQC-UHFFFAOYSA-N 452.587 5.681 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSCC(=O)Nc3cccc(Br)c3)cc2)cc1 519991713 FRORLVOIMBAJNN-UHFFFAOYSA-N 496.386 5.423 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 521807360 JBIOCCHZLHAXDO-WOJBJXKFSA-N 457.599 5.356 30 20 JKED Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccc(OCc5ccccc5C#N)c4)C3)[nH]c2c1 566752214 HEGVLRHVGWTOPA-JOCHJYFZSA-N 450.542 5.342 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1C#N 566964673 HULYLPYPUYLWHA-HXUWFJFHSA-N 478.639 5.456 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1C(=O)c1cccs1 590276196 SLVUPZZKACQFFX-UHFFFAOYSA-N 452.535 5.991 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 603596225 XLAKTZJXDQYBMS-IRXDYDNUSA-N 486.481 6.490 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CSCc3coc(-c4ccccc4)n3)c2)c1 603756720 GNAIAVJNLRJWJF-UHFFFAOYSA-N 455.539 5.664 30 20 JKED C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1=O 603759061 SQALQVNZADGKLB-MEKIYTOJSA-N 457.961 5.544 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 603831152 NSEIJAITIZRWEX-SANMLTNESA-N 498.583 5.726 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2[N+](=O)[O-])n1 603844066 NQCJMHSZGZIFMC-MRXNPFEDSA-N 478.580 6.125 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003917 MAVHYXXCCUSVNZ-SFHVURJKSA-N 477.561 5.170 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnc(-c4ccccc4Cl)s3)s2)cc1 604516453 VYZHYXAGSFRCCI-UHFFFAOYSA-N 470.004 5.731 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1C#N 604524185 ZLASLAXYKGZGEZ-UHFFFAOYSA-N 472.357 5.614 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 609061891 JVGUBUKGAVFJRE-UHFFFAOYSA-N 457.917 6.315 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1OC(C)C 609085745 FFBYLMXNWULFHV-FQEVSTJZSA-N 471.557 5.049 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H]1c1ccc(OC)cc1 609376980 MRHYYRAIMLRGEQ-HMHJJOSWSA-N 465.619 5.275 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 609430481 IFLCWEOVNALWLV-KRWDZBQOSA-N 451.573 5.134 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 609436930 YQAXWCXFXVOLGB-AEFFLSMTSA-N 465.554 5.681 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCc1ccc(Cl)cc1 613401564 FOQHWFFLZYUWAU-GOSISDBHSA-N 481.886 6.162 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1nc2ccccc2n1C(F)F 613404690 UUDJTEYCVWIRNK-CQSZACIVSA-N 472.314 6.412 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 613908730 YTCAODWEYLSYMP-INIZCTEOSA-N 474.989 5.147 30 20 JKED O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 622601010 LIPXDQXVHUMNOZ-UHFFFAOYSA-N 467.291 5.257 30 20 JKED CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(CCC(F)(F)F)CC1 622675621 RSGKRFUABFIOBN-UHFFFAOYSA-N 450.345 5.213 30 20 JKED CC(=O)Nc1cc(NC(C)=O)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 642281457 GCKJCBSQVQWQHU-SFHVURJKSA-N 487.368 5.524 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCc2ccc3ccccc3n2)c1 642368029 DIDMUJHMTLWDOB-UHFFFAOYSA-N 492.000 5.200 30 20 JKED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1ccccc1 726109738 PPHIEISHBABHIS-MWJQASANSA-N 484.625 5.104 30 20 JKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 726363984 ZUVLFGGYDNZJLP-UHFFFAOYSA-N 477.929 5.309 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2ccco2)C1=O 726415557 MADRBCNNERDKMV-HSZRJFAPSA-N 493.585 5.236 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@H](C#N)CC(C)C)ccc1Cl 726559211 AWFOPDAJTMGIBJ-KRWDZBQOSA-N 480.417 5.043 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 726570971 OVHOSJGNVGDYPN-UHFFFAOYSA-O 480.057 6.075 30 20 JKED CC(C)(C)c1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1 726571574 JAAFYDNCTBDEHU-UHFFFAOYSA-O 488.677 6.076 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 726754957 WXSOJXIUKAZRAY-UHFFFAOYSA-N 453.354 5.866 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726888043 KQTNBNWWGSDDJJ-QRWLVFNGSA-N 498.605 5.321 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C\c1cccc(Br)c1 727355424 RHXLCMPTXODARL-LUAWRHEFSA-N 470.348 5.229 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C4SCCS4)cc3)cc2F)c1 728187548 XTFDFPNWZXPNRF-UHFFFAOYSA-N 450.560 6.007 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2cccc(Cl)c2)cc1 728423187 PQYJXWAJNXGBJF-QHCPKHFHSA-N 499.983 5.244 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c(Cl)c1 728780175 OTVKENLDIULVOX-FQEVSTJZSA-N 487.000 5.750 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(C3CCC3)C2=O)cc1Cl 730461875 IWOUDQVAEMOOJQ-GSKFSTGDSA-N 478.039 5.352 30 20 JKED C#CCOc1cccc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 730979832 LFEMJDHIXFSQQJ-UHFFFAOYSA-N 474.626 5.128 30 20 JKED COCCCn1c(NN=C(C)c2ccc(Cl)c(Cl)c2Cl)nc2ccccc2c1=O 744788359 ZXWIAYILSKMFQF-UHFFFAOYSA-N 453.757 5.229 30 20 JKED COc1ccc(C=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1OCCCC#N 747361496 QKTIEMCSKYTWNE-UHFFFAOYSA-N 455.514 5.039 30 20 JKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1nnc2ccc(C(F)(F)F)cn12 762300698 BQOJLEJIVGJGEM-DAFODLJHSA-N 482.306 5.115 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 775390512 NNIPXYSSUYNSSX-NRFANRHFSA-N 497.551 5.516 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 799221017 LCVPBKBDHGFKST-HNNXBMFYSA-N 477.842 5.141 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCC#Cc2ccccc2)ccc1Cl 818076667 KBLBXJDAZOKALX-UHFFFAOYSA-N 499.419 5.156 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2cccs2)C1=O 837300117 ROQILYFWELJQLN-QFIPXVFZSA-N 479.627 5.534 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2F)C1=O)Nc1ccccc1F 837743438 BJLLOQDGZMZKHP-OAQYLSRUSA-N 469.488 5.264 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(C3CCN(C4CC4)CC3)C2=O)c1 837781813 XGLASUWFHQPSEZ-XMMPIXPASA-N 494.636 5.030 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)CCc2ccco2)cc1 838039476 DLOSZYJEXQYAIO-UZUQRXQVSA-N 495.576 5.409 30 20 JKED N#Cc1cc(Br)ccc1N1CC(c2nc(-c3ccc(Oc4ccccc4)nc3)no2)C1 904449618 PLAJOZGRZKIXBE-UHFFFAOYSA-N 474.318 5.162 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccccn2)C1=O)NCc1ccccc1 914553863 KZVOWMIZFUIGAC-OAQYLSRUSA-N 499.423 5.227 30 20 JKED Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1 915087228 QUOZMIARDGINIB-VWLOTQADSA-N 473.598 5.077 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1 915102665 CKCMXRPMLDHPSA-ZBFHGGJFSA-N 464.399 5.622 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2Cc2ccco2)c1 916205942 KTCUCAAEWZVUCD-OAQYLSRUSA-N 499.976 5.111 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=Nn1cnc2sc(C)c(C)c2c1=O 916310799 KPVPVNNOIBDMFO-UHFFFAOYSA-N 480.808 5.470 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccccc3F)o2)c(Br)c1 916319661 GBKXWMVGIVTXOG-UHFFFAOYSA-N 488.298 5.186 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2cccc(Br)c2)n1 916903160 LIXBMFJJQDEVAL-FQEVSTJZSA-N 496.430 5.587 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 916907826 NNIYLNCODYGHSZ-KXXOPMGUSA-N 463.002 6.554 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4cccc5ccccc45)cc3)o2)c1 916915736 IGAPCYYLUYRODU-XMMPIXPASA-N 472.504 5.826 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928344 YQHLFUKHTQWIPH-VXYHDWQYSA-N 461.654 6.026 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)n2)cc1 916974615 NXDXJCOGRGYXRN-QUCCMNQESA-N 481.524 5.201 30 20 JKED CN(CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)c1ccc(Br)s1 916975941 GRXKCVWDPJFMQV-ZDUSSCGKSA-N 494.823 5.236 30 20 JKED C=CCn1c(SC[C@@H](O)c2cc(F)ccc2F)nc2scc(-c3cccs3)c2c1=O 916976599 UKAWRTSLVKXDAQ-MRXNPFEDSA-N 462.568 5.476 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cccc(OC(C)C)c2)C1=O 917653206 OAZYLDMLEGRSKN-IBGZPJMESA-N 493.601 5.056 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N([C@@H]2CCN3CCC[C@@H]3C2)C1=O)Nc1ccccc1 917653899 YBKPURQNNKIWDD-PLXFJCCSSA-N 498.652 5.427 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2)n1 917673540 NXUQDWOSNVLOQU-XMMPIXPASA-N 481.581 5.099 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccc(C#N)cc1 917686803 BJDSEDVVKLNVGO-RUZDIDTESA-N 498.608 5.290 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2F)C[C@@H](C)O1 918141053 ROVLHTQJMKCIQF-BGYRXZFFSA-N 489.616 5.533 30 20 JKED O=C(c1csc(COc2ccc(F)cc2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918671855 OKWKCEXBHZBMET-GHMZBOCLSA-N 456.383 5.064 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)cc1 919665583 CRSJSXHIGNXJPF-DEOSSOPVSA-N 494.551 5.080 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccc(F)cc2)no1 920357242 WLGALSJAIFDEJC-FQEVSTJZSA-N 486.956 5.244 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(F)c(NC(C)=O)c3)c2C#N)C1 920599658 RCUGYARJVHPKGI-MRXNPFEDSA-N 485.581 5.054 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1[nH]c3c(Cl)cccc3c1C)C2 1779271606 OZJSBLLZZWNTAU-QNXIHNPRSA-N 484.040 5.026 30 20 JKED COc1cc(F)ccc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786041001 LDWRUEUMHMODHR-UHFFFAOYSA-N 471.532 5.086 30 20 JKED Cc1cc(CCC(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)ccn1 1786740980 ULDSFTZWLJRHRC-UHFFFAOYSA-N 475.709 5.508 30 20 JKED COc1ncccc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1786873639 RERXVCNLSWHXSH-FQEVSTJZSA-N 482.584 5.098 30 20 JKED COc1cc(C)c(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1OCc1ccccc1 1787889349 YJUFQKBELDEDJC-UHFFFAOYSA-N 497.595 5.634 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)c(C#N)c1 1789014883 ZUFZAGRWYPVEQD-UHFFFAOYSA-N 490.563 5.105 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cncc(C(F)(F)F)c3)CCC2)cc1 1789456107 LGZWQVWOGQFVAT-NRFANRHFSA-N 457.496 5.617 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)CSc3ccncc3)CCC2)cc1 1789507925 YPAJSPKQGXNPLL-UHFFFAOYSA-N 479.722 5.359 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(Cl)c4)CCC3)cc2)c1 1790148306 OBGXXWNYTGFYRJ-UHFFFAOYSA-N 497.780 5.364 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)cc2)CCC1 1790200880 XAYDCCFIOQTCQN-UHFFFAOYSA-N 486.469 5.354 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(F)c4)CCC3)cc2)cc1 1790706294 XWUKOZKZWYOXPH-UHFFFAOYSA-N 459.496 5.021 30 20 JKED CCOc1ncc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790765056 OYLAAXDGZBLSIC-UHFFFAOYSA-N 492.938 5.206 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Br)c(F)c3)CCC2)cc1 1791584117 NXJKJFBZQWJRSD-UHFFFAOYSA-N 471.370 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Cc4ccccn4)cc3)CCC2)c1 1791767241 PESICVCICQAOOJ-NHCUHLMSSA-N 466.585 5.335 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)c1 1792126979 PYWFBOKTBQQAGS-HXUWFJFHSA-N 490.563 6.030 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@H](CC3CCCC3)NC(=O)OC(C)(C)C)CCC2)cc1 1792262426 BAESIWCYRZVHNY-QHCPKHFHSA-N 481.637 5.008 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc(C#N)c1 1792941207 LKOLVQUYTFUBIQ-LGKQTMLJSA-N 495.623 5.140 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 1798206509 FULWVTAJYDUVNV-BJWYYQGGSA-N 496.961 5.251 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1F)C2 1798421292 PKSXRPMPFUPCGI-REPLKXPHSA-N 482.594 5.147 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)c1 1800686056 HABHCFRCTGBFMH-KOUNCHBCSA-N 489.497 5.208 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206990 HIICCGTVDNEONP-ACDBMABISA-N 497.693 5.112 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1803087331 ROUUCZOOVVMCEO-GMAHTHKFSA-N 471.523 5.188 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccnc(C(C)(C)C)c2)[C@H]1c1cccnc1 1804855202 SPAGNKPFLWCFDS-ISKFKSNPSA-N 462.638 5.086 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4C[C@H]4c4ccc(F)c(F)c4)C3)CC2)c1 1805615184 JZKUVOZMZMSHCL-VEXUSMLFSA-N 491.582 5.240 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4cc(F)ccc4Cl)C3)CC2)c1 1806550063 CMXAGAXXUXGSTM-LJQANCHMSA-N 481.999 5.194 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4cc(F)ccc4Cl)C3)CC2)c(Cl)c1 1806552976 RADGVZABLUZDJK-UHFFFAOYSA-N 488.390 5.092 30 20 JKED CC#C[C@H](CC(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1)c1ccc(O)cc1 1808536493 LFYCOXPJEJNOQM-FXZLENHOSA-N 499.655 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1810172697 BTJDDSHKGKIYQY-CMYDWJSCSA-N 496.655 5.577 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccnc1 1810501719 CKTUEXMOSXOVJK-NZQKXSOJSA-N 470.013 5.056 30 20 JKED CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811415478 BRONQDVDUYPKCM-UMFSSWHCSA-N 487.003 5.120 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811788304 URQYRGSVDINOTI-LIRRHRJNSA-N 486.321 5.059 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1812593013 WZAGZCWPUIGOLR-WDUKFBBWSA-N 464.368 5.059 30 20 JKED Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1812743326 MZLNLXAYFAZILQ-UHSQPCAPSA-N 489.736 5.080 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1813863299 IJRCDYLKJWJYRN-XZLZDHACSA-N 487.003 5.304 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCc3ccccc3F)[nH]n2)cc1 1814377656 QMCCZNLNSIWBCS-RUZDIDTESA-N 487.579 5.068 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814377873 CAXABMJXBPWWHV-QHCPKHFHSA-N 487.604 5.419 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n[nH]1 1814719574 DRSKTKBRQFKNLA-CUDBPUKSSA-N 450.558 5.113 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)c1 1814740684 OKJWVSSFHFYNBR-JOCHJYFZSA-N 495.505 5.239 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)[nH]n1 1814828317 GHARZVNGMHMCIP-NRFANRHFSA-N 490.526 5.511 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1 1817744273 RUASFMOALDXJMU-RUZDIDTESA-N 490.567 5.272 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C(C)C)nn3ccccc23)n[nH]1 1817795206 ZGPYDSKDOQPNHF-TZIWHRDSSA-N 474.609 5.255 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4cnccc4c3)n[nH]2)c1Cl 1818644716 OMCZLGQLIFQVOP-QFIPXVFZSA-N 484.947 5.103 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818941003 KGDCPTRQXYZPPM-OAHLLOKOSA-N 492.395 5.216 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1CCc2nc(NC(=O)c3cc4sccc4s3)sc2C1 1819003402 LIANXMPJLZEKSI-BTDICHCPSA-N 499.664 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)[nH]n1 1819309116 MRGZXWPXKHIESJ-TZIWHRDSSA-N 490.526 5.511 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1819385316 MXAQGSWTLJZYBN-GOSISDBHSA-N 494.590 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2F)n[nH]1 1820187153 AZZBEQQSNVACCY-UZLBHIALSA-N 476.499 5.225 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1820207707 VOHZESADJCCRJR-RUZDIDTESA-N 479.540 5.063 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c(Cl)c1 1820430910 RMJVSVWDHNKTSI-LJQANCHMSA-N 486.334 5.347 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N3CCCCC3)cc2)n[nH]1 1821137274 QOUIERSDUVILEB-UKILVPOCSA-N 475.637 5.474 30 20 JKED Cc1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n[nH]1 1821152001 ZIUQLFUEDUTDHB-MHZLTWQESA-N 489.579 5.133 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)[nH]n1 1822580976 FONQDHOLNMEQJY-XEPMYJLFSA-N 450.608 5.210 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cncc(C(F)(F)F)c2)n[nH]1 1822653886 SGNIVQOWTGXUQD-NRFANRHFSA-N 489.542 5.217 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2OC)n[nH]1 1823255347 RRKJFLDCZQNAER-OXJNMPFZSA-N 456.974 5.146 30 20 JKED Cc1cc(F)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1823317729 KHDYFVKZHLHDQH-QHCPKHFHSA-N 489.551 5.136 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1823675052 ZDANAWKNRFNUIY-QFIPXVFZSA-N 485.415 5.116 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 1824137739 NZQLTMMGRGEGPT-KAYWLYCHSA-N 464.650 5.079 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1 1824138028 UMGNFSKBZDHNQR-MUUNZHRXSA-N 477.693 5.291 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)c2ccccc2)CC1 1824248079 NBDCKBYKTYUSTR-UIOOFZCWSA-N 495.708 5.197 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)s1 1825791592 YDPWKNPFRFNZFG-FQEVSTJZSA-N 456.011 5.129 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(Cl)cncc4s3)CC2)C1 1827263722 TWIKBYRKDMJXFU-HXUWFJFHSA-N 458.027 5.149 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1827353444 XDXJAFURFXDASP-XMMPIXPASA-N 499.627 5.179 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1827805539 QCWLUYSMZIQPTK-OAQYLSRUSA-N 456.011 5.129 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)CC1 1827908743 AUGBGPXOOPGJKB-SIKLNZKXSA-N 465.560 5.046 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1828397283 MOCWRYNQGQCIPS-DSITVLBTSA-N 473.057 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1828828222 FRLXSZTUNZPBIR-BDYUSTAISA-N 471.645 5.750 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1828828533 LPDNEPWUILLWAY-FPOVZHCZSA-N 451.533 5.035 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCCn3cccc3)CC2)c1Cl 1829038860 SRGUJWWWPGAFMN-XMMPIXPASA-N 481.040 5.117 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829706157 KXDSTCKGXPQZID-HHHXNRCGSA-N 460.593 5.530 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 1830500134 VOUMPZPGYFOACP-XMMPIXPASA-N 499.533 5.198 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830534011 RIUTVCIOBGSKJP-LJQANCHMSA-N 476.461 5.289 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1830628837 QBVRRQFMBQBVSG-NDEPHWFRSA-N 482.628 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(=O)OCC)cc2)CC1 1830760059 YACCVDGUYKKXCS-DEOSSOPVSA-N 468.638 5.089 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1)C(F)(F)F 1831452352 BTKXZUCSLFYAFW-SFHVURJKSA-N 468.516 5.392 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)CCCCC)CC1 1831771783 UIPGZFQLYXNCGT-JRFVFWCSSA-N 491.717 5.292 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1831840778 PZHDXNXPAGIFQX-RDTXWAMCSA-N 495.508 5.215 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1 1832633067 BSFHWEYMPCSQFR-CJAUYULYSA-N 481.999 5.653 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)cc1 1832785127 IPSHACAEQKBADS-AREMUKBSSA-N 472.633 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4ccccc34)CC2)CC1 1838189060 FUYRQKOBSQVUNN-UHFFFAOYSA-N 462.634 5.444 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccccc4)c(F)c2)C3)c1Cl 1844735624 NCGXVTDPSMYWPE-UHFFFAOYSA-N 473.935 5.149 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccccc4)cc2)C3)c(Cl)c1 1845489356 KRMRUHKUGBLOQM-UHFFFAOYSA-N 455.945 5.009 30 20 JKED C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2sc3c(c2c1=O)CCCCC3 9195035 PPCPEYBUXWPDSV-CQSZACIVSA-N 464.616 5.003 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nnc1-c1ccccc1 9447010 XCOUJKQOHJDPCU-UHFFFAOYSA-N 475.643 6.127 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)ccc1C)[n+]1ccc(Cc2ccccc2)cc1 10118286 CXAIAJDBJRIFQJ-UHFFFAOYSA-O 481.641 6.241 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1Cl 10230923 PLTXUFIWTGSMTM-UHFFFAOYSA-N 455.317 5.447 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1ccc(C(C)(C)C)cc1 10409420 UJXLCOIASYFBKX-UHFFFAOYSA-N 463.607 5.118 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccc(F)cc1 11117882 GPMWXYVRWQTFEN-UHFFFAOYSA-N 461.444 5.631 30 20 JKED COc1ccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2ccccc2Cl)cc1 20053796 WVFPYUXBBHCSQE-UHFFFAOYSA-N 489.988 5.393 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)cc1 21454506 PTPLVJZJSVAYAO-UHFFFAOYSA-N 468.582 5.734 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 22213461 KDMDXQWWDNLCLH-GFCCVEGCSA-N 497.835 6.219 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NCCc2ccccc2)cc1 22734836 LGDOUMJGYYXSMF-UHFFFAOYSA-O 472.461 6.005 30 20 JKED CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1 28727990 FOOKZFSLGQVSAL-UHFFFAOYSA-N 480.593 5.670 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccco1 29549972 IFMFXEAUHXUGTK-UHFFFAOYSA-N 493.976 5.361 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nc(-c2c(F)cccc2F)cs1 31417596 DGFZJDHALHZHLV-UHFFFAOYSA-N 494.317 5.139 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1-c1ccccc1OC 32326412 WOZOLFCIUZDCTL-FQEVSTJZSA-N 491.444 6.202 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1 59254107 DDONIICTXLRYAD-UHFFFAOYSA-N 458.411 5.914 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 105476537 VEQKAMHOHCSCPY-UHFFFAOYSA-N 470.944 5.487 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3)n2C)n(Cc2ccco2)c1C 115424308 NMPFVGBLWRANJY-UHFFFAOYSA-N 495.008 5.188 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc12 302969191 RXFYOIHTLBVQLA-UHFFFAOYSA-N 472.467 5.611 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)cc1OC 303161858 HTVGZFRMZXFMGX-UHFFFAOYSA-N 464.484 5.146 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CSc2nccn2C)o1 303217939 UCXGUGMKBJYTBD-UHFFFAOYSA-N 458.543 5.317 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c1 409983952 ZQPRVVTZVWVGDA-FQEVSTJZSA-N 451.526 5.684 30 20 JKED Cc1cc(C)cc([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 410425894 ZTQFMOZFQHSYJD-SFHVURJKSA-N 461.949 5.223 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H]1CCc2ccccc21 481230656 VCCACMHMILFWFJ-RUZDIDTESA-N 471.532 5.141 30 20 JKED N#Cc1cc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)ccc1OCC(F)(F)F 481851829 GDKPXMSCKLIMMY-UHFFFAOYSA-N 496.308 5.567 30 20 JKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 487389864 UPLLVCLFQZZUIW-YJYMSZOUSA-N 484.503 5.471 30 20 JKED C=CCc1cc(CNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc(OC)c1OC 497322269 KBAAPTMHHCOHGL-UHFFFAOYSA-N 484.552 5.290 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)c2)cc1 499804952 UWYNXELTQSOUPB-UHFFFAOYSA-N 495.436 5.323 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccco4)c4ccccc4C#N)cc3)o2)c1 501018768 GLTYAAAMPHTKPH-UHFFFAOYSA-N 460.493 6.024 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)CC2)c1 502678677 HDKXGPSQHUYBJI-UHFFFAOYSA-N 472.520 5.159 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CNC(=O)c3c(F)cccc3Cl)cc2Cl)cc1 502728517 SGRFUCHPVWHUCX-UHFFFAOYSA-N 458.276 5.165 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(C#N)cc1 505309368 BNWHYJQNPVXBRK-OAHLLOKOSA-N 452.436 5.712 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cc(C#N)ccc1OC(C)C 509584179 BWDYLOVILYYTAJ-UHFFFAOYSA-N 471.941 6.013 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CC2 510855938 BFYREKWRQBSHQY-UHFFFAOYSA-N 471.557 6.047 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 511571620 BWMBTVZQGHFJHK-UHFFFAOYSA-N 471.520 6.159 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2cc(Br)ccc2OCc2ccccc2)nc2ccccc21 513668050 YIRNOCKQZBYHJG-IBGZPJMESA-N 460.331 5.405 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1[C@H]1COc2ccccc2O1 514936055 PZIHTXMIGHHTDV-FOIQADDNSA-N 479.537 5.327 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516269919 DWHNNCOZBRCEQN-GOSISDBHSA-N 460.971 6.257 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)C(=O)Nc4ccc(Oc5ccccc5C#N)cc4)CC3)c2c1 516289326 GFWAFCQRPSQLIQ-UHFFFAOYSA-N 494.551 5.185 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c1C 518239543 GRYLJBOPSCBURS-KRWDZBQOSA-N 476.602 5.241 30 20 JKED CN(C(=O)c1ccc(Oc2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2)cc1)c1cccc(C#N)c1 518702835 NPBWGMIAMQPXJK-UHFFFAOYSA-N 486.531 5.775 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 518739339 ZTPAJIDNJWQKQP-OAHLLOKOSA-N 492.523 5.863 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519440442 HAVIJNRWKJQJIN-UHFFFAOYSA-N 489.519 5.617 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 519441208 FXAAMBVKEROXAM-RBUKOAKNSA-N 463.628 5.728 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cccc(COCc4ccccc4)c3)cc2)cc1 520003607 LFXZHDCASWRIRC-UHFFFAOYSA-N 491.547 5.322 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)c1 520813607 NDDMVJQQMNIWHJ-HNNXBMFYSA-N 455.634 5.573 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 520940452 RXMNPTMBCGGAGU-FUHWJXTLSA-N 465.554 5.681 30 20 JKED COc1ccc(CCN(Cc2ccccc2)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 521748523 VFRINOJFAFZUKU-OAQYLSRUSA-N 459.615 6.224 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N 521748730 ZRIFSCSOAXFNFU-HNAYVOBHSA-N 474.424 6.078 30 20 JKED N#Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1 523653588 JXUDPJQLNVHKEJ-OAHLLOKOSA-N 459.358 5.209 30 20 JKED CN(CCc1cccc2ccccc12)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523960456 QKBKBWAQRXCFDV-SANMLTNESA-N 481.983 5.788 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524424023 HQXFYANLRIFRJT-QGZVFWFLSA-N 487.943 5.695 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C(F)(F)F 524498387 XFBHYKUXODQSSM-UHFFFAOYSA-N 460.431 5.499 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 524565667 CNNCAFSJJIAYFE-KRWDZBQOSA-N 477.552 5.827 30 20 JKED CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 551740800 SRGFMGZATZNTML-JOCHJYFZSA-N 483.540 5.408 30 20 JKED COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2sc(C)c(C)c2C#N)c1 603445480 ODNBYJMYWGTVEG-UHFFFAOYSA-N 451.573 5.228 30 20 JKED N#Cc1c(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)sc2c1CCC2 603750103 DEURRWCXOQOVLZ-UHFFFAOYSA-N 480.387 5.304 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1 604397927 NLNMNBCBTHLVLI-UHFFFAOYSA-N 461.631 5.152 30 20 JKED CC(C)(CCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 604427563 CWVSXXUQFHJLMH-HSZRJFAPSA-N 459.977 5.418 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)s2)cc1 608983262 IJZUONMKFAWZSW-JOCHJYFZSA-N 492.004 5.239 30 20 JKED COc1ccccc1[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609089083 AFEMDAMINGFGHH-HSZRJFAPSA-N 489.959 5.101 30 20 JKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609123739 QHXJVBJXCPTIQK-KCWPFWIISA-N 473.548 5.908 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)c2)cc1 609209569 CGCVCZJVSWLWQC-UHFFFAOYSA-N 468.344 5.406 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)CCCCCC(=O)Nc1cc(C#N)cn1C(C)(C)C 609358784 YTAJHUPCVJZMPP-UHFFFAOYSA-N 450.587 5.071 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCc4ccccc4[C@H]3c3ccccc3)c2)c1 609399194 NOYLQYKTTZWGRI-MUUNZHRXSA-N 472.548 5.990 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc(Br)c1OC 609434719 LIFDYCBVHXTFCS-CYBMUJFWSA-N 464.385 5.182 30 20 JKED N#C[C@@H](C(=O)c1ccc(Br)s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346702 NTFTVRXZOCPCAY-JTQLQIEISA-N 458.189 6.431 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)cc1 615000253 KIZSKRADDNYMQU-MHZLTWQESA-N 455.583 5.351 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301241 MCEFJIOVMYEQHC-VXGBXAGGSA-N 470.410 5.373 30 20 JKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 622478122 VGXFNCYJOSNQJB-KRWDZBQOSA-N 476.417 6.320 30 20 JKED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1nc(-c2ccccc2)cs1 642281397 DRMGJTPYWBYKBE-QFIPXVFZSA-N 485.590 5.052 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 725733815 HEZGVIZDEFVHQI-DENIHFKCSA-N 479.646 5.616 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 726392288 GASUNWCSFHJGLH-QMHKHESXSA-N 497.567 5.503 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C#N)c(Cl)c2)cc1 726407447 RRXGZDITYRTMOZ-QHCPKHFHSA-N 499.983 5.244 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c2)cc1 727626585 DEAPCTGYMVVRQL-HSZRJFAPSA-N 474.944 5.402 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1cn(C)nc1-c1ccncc1 727780046 FQCQQWGCQVGQGI-VMPITWQZSA-N 465.376 5.573 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Oc1cccc(-c2nc(C)cs2)c1 728474098 FSJOBXRORKYFDK-UHFFFAOYSA-N 473.348 5.136 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(c3ccccc3)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697909 ZRORMFUPLUBPTB-DECKYMOXSA-N 489.575 5.825 30 20 JKED COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@@H](C)C(=O)N(C)CCC#N)c1 729235402 JVBXNLDFNBDILV-UZXDDYOISA-N 490.629 5.056 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](CC)c2nc(C)cs2)ccc1Cl 729444610 AZEVXHAOYRYTTR-HXUWFJFHSA-N 490.050 5.367 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 729556643 ZKHFXZYANVRUAX-OFNKIYASSA-N 491.592 5.389 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729571245 RYYMDOSRVFIONB-IBGZPJMESA-N 450.539 5.119 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1c(C)noc1C 730444749 OUCUZOBRXKGNFT-QHCPKHFHSA-N 494.592 5.196 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C2CCC2)C1=O 730459932 PKLKCTKVLCPFPX-FQEVSTJZSA-N 457.983 5.170 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730461893 UBWHBDGGAXAXAY-IBGZPJMESA-N 477.508 5.227 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1ccccn1 730524754 ZAJNMICDLXNGFC-HSZRJFAPSA-N 494.567 5.125 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c1 730530184 PVXMPQOQGXQCIM-LJQANCHMSA-N 472.408 5.134 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc(-c2c(F)cccc2F)cs1 730693767 DOVVHZLHFSKCKT-LBPRGKRZSA-N 493.482 6.526 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc2ccccc12 730710753 REFXIRPSEHOCQG-JPYJTQIMSA-N 499.596 5.204 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1 730719234 YHFJGXCLEIVNFE-NRFANRHFSA-N 482.993 5.359 30 20 JKED COc1cc(/C=C/C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1c(C)noc1C 730995877 VUBJAKQGWQERKG-JICACKBISA-N 477.586 5.783 30 20 JKED Cc1nc(-c2cccs2)ccc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731068324 ZUCVNIQQORFNPS-HNNXBMFYSA-N 451.573 5.308 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cc(Br)ccc2n1 731078838 WWZBAQGSHBHJOL-AWEZNQCLSA-N 498.402 5.353 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 731307333 HHENXVJEBSSPQV-KSFYIVLOSA-N 495.626 5.492 30 20 JKED COc1ccc(Cl)cc1-n1c(-c2cccc(Cl)c2)nn(CN(C)C[C@@H](C)C#N)c1=S 746707170 YDRGZWFHOBOCOH-AWEZNQCLSA-N 462.406 5.435 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(N2CCSCC2)cc1 749178661 KIHXQPLWOUPCCA-UHFFFAOYSA-N 478.431 5.039 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3ccccn3)C2=O)cc1 837397882 LPHARLTZRWKXFG-DVECYGJZSA-N 488.613 5.510 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 837743712 FNMOLVOCOWDBTR-YCRPNKLZSA-N 466.513 5.081 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CC(F)(F)F)C1=O 838523834 RKVCNSMGXYJWOY-IBGZPJMESA-N 495.523 5.007 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 912832088 MCTNNWKCCRTILH-UHFFFAOYSA-N 493.036 5.105 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916057474 QZECTWOEIFWQEN-OAQYLSRUSA-N 461.352 6.395 30 20 JKED CCOc1cc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)ccc1O[C@@H](C)C(=O)N(C)C 916130109 IDOLFLKOVQLRIJ-AJHXJQRKSA-N 486.362 5.346 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)C=C1 916202928 HSGXHCHIJMIMQM-UHFFFAOYSA-O 496.052 6.509 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccco2)C1=O 916206594 ZXFVIBLCOTZLIB-FQEVSTJZSA-N 487.940 5.241 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916217193 HNQWAIPJTSYVAS-LJQANCHMSA-N 496.416 5.381 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2ccccc2)c(Br)c1 916277836 UISQWDWYTGTIAD-UHFFFAOYSA-N 495.402 5.466 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 916452049 RCASATYDRLSYSF-UHFFFAOYSA-N 471.557 5.860 30 20 JKED Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)c1 916886620 HVEGCBDGRNLXCZ-LJQANCHMSA-N 458.530 5.627 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 916899641 KXQDQJYLHAGZFR-YJBOKZPZSA-N 496.658 5.108 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 916904247 ZDJNEXMAAUEZRV-NRFANRHFSA-N 491.016 6.135 30 20 JKED Cc1ccccc1-n1ccnc1SCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907547 JGFRQJPHJQXMHL-NRFANRHFSA-N 482.565 5.413 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 916914479 LUWCRZQPEFPMGU-IZZNHLLZSA-N 466.537 5.445 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(COc3ccc(F)cc3)n2)cc1 916915198 GRZXAYIBUOELSA-HXUWFJFHSA-N 451.523 5.165 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944622 JIHUWYKKNMVORS-KRWDZBQOSA-N 478.332 5.438 30 20 JKED C=CCn1c(SC[C@H](O)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1 916983878 YCWHLSYNFWPNRS-KRWDZBQOSA-N 455.889 5.509 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997846 YPXRUOMCJACKBF-MRXNPFEDSA-N 467.337 6.171 30 20 JKED CCn1c2ccccc2c2cc(C=Nn3c(S)nnc3-c3ccc(OC)cc3OC)ccc21 917031018 SCIGDGNMICCQJQ-UHFFFAOYSA-N 457.559 5.261 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 917504975 INWJUIUPVNBDPR-JOCHJYFZSA-N 484.508 5.339 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3Cl)s2)cs1 917560091 GXWYALQYDAJUGC-FMIVXFBMSA-N 479.026 7.414 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)c1 917689273 LOZLLFBKFGQSMZ-VWLOTQADSA-N 490.673 5.084 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(C[C@H]3CCCO3)C2=O)cc1 917712866 IKRWKUMCZDKACW-DNQXCXABSA-N 493.629 5.152 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccccc3C(=O)Nc3ccccc3)c2)c1 917811363 SVKZDUJYOXYCMY-UHFFFAOYSA-N 476.536 5.440 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(OCCCC#N)c3)c2)c1 918331223 MVSLAKROAFHYHR-UHFFFAOYSA-N 483.977 5.384 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)cc1 918565868 KKUAGFMCYJLTHB-GDLZYMKVSA-N 489.575 5.462 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccc(Oc3ccccc3C#N)cc2)c1 920073329 RYLUWQHFJOVTCR-UHFFFAOYSA-N 494.642 5.498 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N([C@@H](C)c3ccccn3)C2=O)c1 920173114 PBQXKGBOPXZUDC-FNZWTVRRSA-N 498.652 5.909 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cc(C)on3)C2=O)cc1 920356360 SYMVOKUTUHAHHC-QFIPXVFZSA-N 496.564 5.071 30 20 JKED O=C(Nc1ccc(NCc2c(F)c(F)c(F)c(F)c2F)c(C(F)(F)F)c1)c1ccco1 920402874 UVPICVSVQDGANP-UHFFFAOYSA-N 450.285 5.858 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)cc1 920457510 QTJVTJGPLQYFLC-DEOSSOPVSA-N 492.604 6.182 30 20 JKED N#CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 920633691 RBUUVQMLTMLDQR-UHFFFAOYSA-N 497.370 5.298 30 20 JKED Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)c1 920805162 AIFAYBLKFQIGKM-MRXNPFEDSA-N 451.523 5.939 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=S)Nc1ccccc1C#N 920832673 WNXBEPSIFXGDCI-UHFFFAOYSA-N 454.477 5.947 30 20 JKED CCOc1cc(/C=C\C(=O)c2cnn(CC)c2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 920991715 NFWCFTYFTBSDTL-RYYQIYIFSA-N 479.621 5.004 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)C[C@@H](C)C3)n1 921249913 LTNOVJHGLSBHIM-YZDCZERPSA-N 497.576 5.749 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc([C@@H](C)C#N)c2)C3)CC1 1781914755 UZHDCSRVAJVTQH-YRKWBHCPSA-N 479.665 5.048 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4c[nH]c5ccc(Br)cc45)CCC3)cc2)C1 1785807397 AFBCNZZHNYKJTI-UHFFFAOYSA-N 492.417 5.573 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3)CCC2)cc1 1786366814 WIPUWYNHDXIKDO-UHFFFAOYSA-N 460.496 5.436 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)CCC1 1788689141 GWPVLFNMVIKRFA-UHFFFAOYSA-N 494.517 5.442 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccccc5n4C)CCC3)cc2)c1 1790073059 KCEFZZUUHKOTRE-UHFFFAOYSA-N 478.552 5.120 30 20 JKED COc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(OC)c4)cc3)CCC2)c1 1790075503 DOKYDYNETSTASC-KPKJPENVSA-N 481.552 5.037 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccccc4C)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1790253891 ONHQEHOAEJOHTB-DEOSSOPVSA-N 489.616 5.308 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)c1 1790256570 WKJZGSYERHSGRV-UHFFFAOYSA-N 465.340 5.322 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3)cc2)CCC1)NC(=O)OC(C)(C)C 1790261410 FRFPZJBDVJPBJU-QHCPKHFHSA-N 495.595 5.433 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)CCc4ccsc4)CCC3)cc2)ccc1F 1790520582 COUUNXZIYFDIRX-UHFFFAOYSA-N 461.562 5.068 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1790569715 PTVFPVXLEPAMBT-HNNXBMFYSA-N 479.474 5.393 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc(Cl)c3F)CCC2)cc1 1790569779 RTYDECWHWWOLKT-AWEZNQCLSA-N 463.912 5.167 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(OC)c4)cc3)CCC2)C1 1790648911 ZJFVTOXDGVLYIF-UHFFFAOYSA-N 469.379 5.172 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cc1 1790707408 JYVNZXBBFXVTOX-UHFFFAOYSA-N 468.944 5.339 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccsc5[nH]4)CCC3)cc2)cc1 1790707747 NFIUQWMMWWZLCX-UHFFFAOYSA-N 454.555 5.357 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(F)c(F)ccc4c3)cc2)CCC1 1790965462 HXGFGSJJBSQQEN-INIZCTEOSA-N 480.515 5.062 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)cc2)CCC1 1790989432 STBFAGCFTTVKMD-UHFFFAOYSA-N 488.535 5.020 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CCC2)cc1 1791574897 SCZHRJLYLXWYBJ-QGZVFWFLSA-N 470.598 5.296 30 20 JKED CC[C@H](C)[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1792231283 GSIPGEOZEJLIRS-SIKLNZKXSA-N 496.652 5.144 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Sc1ccccc1)c1ccccc1 1793438175 MBTVRLTVHTWQBL-NCDPBEIOSA-N 460.643 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1)C2 1798593817 MYTQDGRYAYMFCE-BUUPBASBSA-N 489.701 5.044 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cccc2ncccc12 1800504242 RJRSUGKAEWYZRG-LGKQTMLJSA-N 485.587 5.200 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cc(Cl)ccc1Cl 1801470065 GMMIJNLGVJHJID-JPRXPMQYSA-N 491.440 5.065 30 20 JKED C=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCC(C)(C)C)C3)N(C(=O)OC(C)(C)C)C1 1802508123 DTVQYZKOXQXNKC-BJESRGMDSA-N 489.701 5.187 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cc(Br)ccc3c1)C2 1802630687 NJPDFAYWPSPIQN-NUNAXRQHSA-N 467.407 5.048 30 20 JKED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1803455449 YBZBKVCQQBDAGC-KCWPFWIISA-N 490.047 5.056 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803605085 OZZKVQLDFGBIGT-XGAJZPNHSA-N 488.097 5.135 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1804177052 SSSPLPWOJOJXFU-UFHPHHKVSA-N 485.653 5.296 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)s1 1804470069 QZEKQYHQPXXTEN-BNAYCWRJSA-N 486.641 5.031 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2C)[C@@H]1c1cccnc1 1807842170 GBWBXAGPXBXUEC-FVVBACEJSA-N 494.639 5.540 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC2(CCCN(C(=O)c3ccnc(Cl)c3)C2)CC1 1808360277 LPCAUYJJEYQXRO-UHFFFAOYSA-N 498.026 5.293 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1808852021 BHFGADCUVODTOK-CDMIOBSGSA-N 499.036 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@@H]1c1cccnc1 1810172070 NANBYAKPRKODHK-HIQFBJJBSA-N 498.671 5.234 30 20 JKED Cc1cc(F)c(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1F 1810276060 CCJROPBOKSBCCQ-RLWLMLJZSA-N 497.662 5.039 30 20 JKED C[C@H](C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1cccs1 1810276780 JJPAHTIVHTXGPT-NIRIFSCTSA-N 481.738 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(C)cs2)[C@H]1c1cccnc1 1810494103 CDDDWGABYVVMNF-URXFXBBRSA-N 453.652 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@@H]1c1cccnc1 1810501176 AFADKCJBVXHHNG-PGRDOPGGSA-N 457.977 5.186 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@H]3CCN(C(=O)CCC#N)[C@H]3c3cccnc3)cc2)cc1 1810602697 VSYGDCYFKQOJRB-DGPALRBDSA-N 494.639 5.715 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@H]1c1cccnc1 1811103798 QOWHPTVSJJNJIN-LAUBAEHRSA-N 475.420 5.095 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@@H]1c1cccnc1 1812667976 OQBBWVDWWYITEE-FXAWDEMLSA-N 498.496 5.014 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@H]1c1cccnc1 1813050045 KQNZFEXFAIWEAM-LXFBAYGMSA-N 487.550 5.150 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1813869742 OZERTLMHMDJZFM-KPOMPZIKSA-N 460.622 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC)cc2Cl)[C@H]1c1cccnc1 1813904124 MTQPJCXHCQGZCS-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(OC)c2)[C@@H]1c1cccnc1 1813921117 NTALAWXYOLNKLS-CVDCTZTESA-N 470.013 5.056 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1814409337 JYTASEJDYQRPQF-KEWFZMHCSA-N 473.602 5.071 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1)c1ccccc1 1814739025 LOLBVCMLZLVUDK-NOZRDPDXSA-N 469.589 5.100 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815117748 VKSMNBYQVLZIGU-HXUWFJFHSA-N 462.937 5.042 30 20 JKED CC(C)c1csc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)n1 1816064511 YVPZQKUWNNXLDL-IERDGZPVSA-N 476.606 5.236 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)[nH]n1 1819385107 IKOUOLVCQDFMED-HXUWFJFHSA-N 493.640 5.015 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3Cl)n[nH]2)cc1 1820188825 PKLGYVQATSWOMD-FQEVSTJZSA-N 499.905 5.156 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[nH]n2)ccc1F 1820914768 FIFCXGFKDANYMZ-ZNNUDVHBSA-N 491.611 5.262 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)c1 1821033518 VUEFQUGSWYALKJ-OAQYLSRUSA-N 483.906 5.141 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821279146 ZRLHJLVGKOHACK-HXUWFJFHSA-N 498.370 5.216 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)[nH]n2)c1 1823212485 UQODVVKAGGLTSA-HNAYVOBHSA-N 457.525 5.024 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)[nH]n2)CCC1 1823379930 UQAFOLOXMYDURY-HSZRJFAPSA-N 489.526 5.355 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)C1 1823702813 XROHDAKMJMYQTJ-HHHXNRCGSA-N 481.640 5.806 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccc(C)cc2)CC1 1823948036 TWYIWUAPCLGBHW-IZZNHLLZSA-N 452.639 5.152 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824054524 XKKKRQDZDUKMDC-HHHXNRCGSA-N 487.644 5.050 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1824957280 ACNQQAKIGLJEQL-DEOSSOPVSA-N 481.637 5.040 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824986702 DDPVKQORCXVFQK-UIOOFZCWSA-N 487.084 5.887 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828167481 FBQIFIPUUZYAAZ-AZGAKELHSA-N 481.706 5.094 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1828821833 SCSKVVDRAIEATC-RPWUZVMVSA-N 491.598 5.421 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(O)c3cc2OC)CC1 1828831471 UZPVBGYPMCNFJN-BVAGGSTKSA-N 490.644 5.556 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 1829098896 ZCXHYUOYTCDEAQ-AREMUKBSSA-N 489.685 5.130 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)c1Cl 1829689432 DSGHLXRFLATDDU-JOCHJYFZSA-N 489.925 5.176 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c(Cl)c1 1830572249 AFBPGAQVOXUIFJ-JOCHJYFZSA-N 488.390 5.551 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)c1 1830716438 BVWPPJFMKYZFHX-DWOOMVRVSA-N 451.586 5.067 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc4c3CCCO4)CC2)c(Cl)c1 1830721291 FZPCWGWPOWLYCQ-HSZRJFAPSA-N 498.048 5.145 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(C)cccc4[nH]3)CC2)c1 1830768982 CPUICLDKEJUFQU-MHZLTWQESA-N 468.601 5.204 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978475 QFSZRBSANTZQLF-HSZRJFAPSA-N 472.589 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)CC1 1831231444 MWMUWRWAKXJYOG-WIOPSUGQSA-N 454.655 5.456 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1831446613 NAMXPJKKDOBTOY-LJQANCHMSA-N 495.567 5.071 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cncc(C(F)(F)F)c3)CC2)c1 1832633837 OHDNZRXKYQLRKR-KOSHJBKYSA-N 498.549 5.275 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)CC1 1836694905 IMXYFTBMCCXYEW-UHFFFAOYSA-N 470.654 5.266 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3sc4ccccc4c3Cl)C2)c1 1843710842 FXJLNVAYQKWKKH-INIZCTEOSA-N 463.990 5.313 30 20 JKED C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)C1 1844743661 QUMCXDUEGBPMDQ-QGZVFWFLSA-N 470.972 5.184 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)C(C)(C)Oc3ccc4ccccc4c3)C2)c1 1845047165 UMGJAJDCNDIIGW-OAQYLSRUSA-N 481.596 5.141 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 9823589 IYIJSORNBPWUCV-HSZRJFAPSA-N 488.444 5.447 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)C(=O)Nc1cccc(C#N)c1 9826895 XVWHAYOAUXMXOB-AWEZNQCLSA-N 498.395 5.884 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 10780020 CVWWCSRKNFEONO-MRXNPFEDSA-N 483.977 5.480 30 20 JKED Cc1ccc(/C=C/c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccc(F)cc3)[nH]2)o1 12844427 ROUKBQWAINEGKB-ZHACJKMWSA-N 476.537 5.026 30 20 JKED C[C@@H]1CCC[C@H](n2c(SCC(=O)Nc3ccc(CC#N)cc3)nc3ccccc3c2=O)[C@@H]1C 20069310 VXMXLSJTODBIAU-PNCHPQGNSA-N 460.603 5.191 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)nnc1-c1ccoc1C 21140658 BGFRPTGTZCTHBA-UHFFFAOYSA-N 454.886 5.018 30 20 JKED Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)c1 21375269 LFFDFGUQMNYOKI-UHFFFAOYSA-N 486.622 5.349 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 21728490 GKRVBYHVHPATLX-LJQANCHMSA-N 464.616 5.076 30 20 JKED O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCC#Cc1cccc(C(F)(F)F)c1 25029343 NZPLKCIUQCXHKP-UHFFFAOYSA-N 468.422 5.558 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 28811086 MFWBCSCUKWTWOU-UHFFFAOYSA-O 494.612 6.593 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1 33098178 CNYYIQGCORHLKH-UYAOXDASSA-N 461.027 5.372 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 36806972 FSLNHJPQSJFTOA-UHFFFAOYSA-N 477.640 5.401 30 20 JKED Cc1ccc(N(CCC#N)C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 116712755 STKOIVCUEQISFF-UHFFFAOYSA-N 450.892 5.226 30 20 JKED N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 195651608 YCCVQLVFKYAZQY-OAHLLOKOSA-N 462.600 5.062 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 195722019 DOAQJGFWVARKEO-QGZVFWFLSA-N 459.933 5.097 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccccc1F 218074359 FLZYIYILULKRJQ-ZDUSSCGKSA-N 475.471 6.192 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 302958583 GBTIZPYPMWYCCI-UHFFFAOYSA-N 493.523 5.634 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 409536796 KZZARJVZXOBWMJ-GOSISDBHSA-N 473.602 5.112 30 20 JKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481690112 UUVLWRZKVGDCSD-SFHVURJKSA-N 470.508 5.082 30 20 JKED C=CCn1c(SCC(=O)NCc2ccn(-c3ccccc3)n2)nnc1-c1ccc(Cl)cc1Cl 490581699 DVTXRBHWYFXVPW-UHFFFAOYSA-N 499.427 5.032 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)s2)cc1 491458336 XZBAYJUZEYJATD-UHFFFAOYSA-N 471.489 5.521 30 20 JKED COc1ccc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1Br 505624337 VBFRZESDGXCMLJ-KRWDZBQOSA-N 494.389 5.985 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 508274658 NPBZJUZETBUUJY-ZCYQVOJMSA-N 461.493 5.540 30 20 JKED C=CCN(C(=O)c1ccc(CN2CCSCC2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 508904570 IDFAYFCSVYQQDC-UHFFFAOYSA-N 480.615 5.100 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1Cl 510005749 PDTQIHAOXRUSCH-RUZDIDTESA-N 487.003 5.556 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 510870904 COEUGZVGPKJBQK-LJQANCHMSA-N 460.578 5.161 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)c2)c1 515448094 WBMUQQXSSJSJAC-UHFFFAOYSA-N 480.549 5.054 30 20 JKED N#CCCCOc1cccc(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)c1 515660849 KNLDSNMDRGXKQQ-QHCPKHFHSA-N 468.513 5.498 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1 516713633 DDWILUNEXCJQPG-FQEVSTJZSA-N 450.479 5.216 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1 517308705 BKCTYPWRZZCUIN-UHFFFAOYSA-N 477.973 6.354 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 517530676 WYIAQQMKCYBKSX-HZPDHXFCSA-N 457.987 5.012 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OCc3ccncc3)cc2)c1 517843937 GTHIAUJMRUOHPX-UHFFFAOYSA-N 494.576 5.515 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518235162 NGBVGCJEDFBXLY-CQSZACIVSA-N 454.313 5.414 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)CCCc4ccccc4)CC3)cc2)c1 518754470 NOLRCVPVGZPWBI-UHFFFAOYSA-N 468.557 5.050 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 518869524 AUGSNFHKJPYAKH-AWEZNQCLSA-N 455.486 6.149 30 20 JKED CCN(C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1)[C@@H](C)c1ccc(C#N)cc1 520735240 NKDUZGMGVMPXJX-INIZCTEOSA-N 468.351 5.420 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1Cl 523378864 GSYYUFOITZUZNJ-KRWDZBQOSA-N 499.855 5.986 30 20 JKED C=CCN(Cc1nc(O)c2cc(Br)cc(Br)c2n1)Cc1ccccc1F 556416496 RDBCNIBZMRILNB-UHFFFAOYSA-N 481.163 5.188 30 20 JKED C=CCN(C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc(-c2ccccc2)cs1 589286972 FVHPIJQPGARXLV-UHFFFAOYSA-N 460.628 5.855 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 589896991 AZSJGUJCCXOLGG-UHFFFAOYSA-N 451.983 5.706 30 20 JKED N#C[C@@H](C(=O)c1ccc(I)c(Br)c1)c1nc2ccccc2s1 603835753 TUQCQNVBRPLJES-JTQLQIEISA-N 483.128 5.153 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c2)c1 603995607 KXFPULOJFKIJCB-UHFFFAOYSA-N 460.493 5.315 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(F)cc(Br)c2)cc1 604085957 VXDRYGVJLFDMIA-UHFFFAOYSA-N 468.326 5.555 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)cc2)c1 609073720 UEJQYFHTSAOQSN-NDEPHWFRSA-N 475.548 5.117 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@H](C)c1ccc(F)cc1 609088080 RNDZJISEFRTBEP-QGZVFWFLSA-N 479.939 5.478 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)cc2F)c1 609114538 LVNZSNTVGLTUJE-UHFFFAOYSA-N 488.544 5.047 30 20 JKED C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209085 WNOLWXBACKDGDQ-JOCHJYFZSA-N 470.573 5.105 30 20 JKED CN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C(F)(F)F)c2)CC1 612000247 RPPLGIKAXCZMFE-UHFFFAOYSA-N 499.377 5.747 30 20 JKED N#C[C@H](C(=O)c1cnc(-c2ccccc2)s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344266 CEEVQWDIPJKOIG-OAHLLOKOSA-N 456.379 6.730 30 20 JKED N#C[C@H](C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346097 CKYIVFNAOZRGMD-PKOBYXMFSA-N 473.381 6.165 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc(-c2ccccc2)cs1 613392072 DIRVQPJSKBXUJC-IBGZPJMESA-N 465.456 6.506 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)nnc1-c1ccccc1 613808865 HOWGHMQHDVZOQY-HSZRJFAPSA-N 462.619 5.376 30 20 JKED O=C(NCc1cc(F)cc(Br)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 615871016 VZDWLNLGAFRMLC-UWVGGRQHSA-N 465.207 5.297 30 20 JKED O=C(Nc1ccccc1Oc1cccc(F)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616522196 JPGAOWMYPXKXNO-CHWSQXEVSA-N 492.391 5.582 30 20 JKED O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618903543 ZSYAEMHGAUUCHY-QWRGUYRKSA-N 488.354 5.922 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 642281818 MKLGLVIOVICNIB-FQEVSTJZSA-N 487.924 5.343 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726319804 NSZZBEQAVLAFIM-UBVWURDFSA-N 459.590 5.133 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@H](C)OC)cc1 726395161 XZMBVERXXAJPQL-WMZHIEFXSA-N 483.634 5.087 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 728122021 UCCRMMMVAQNBJR-UHFFFAOYSA-N 499.011 5.559 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 728147261 CRHJEMQZWZEACW-HSZRJFAPSA-N 477.476 5.484 30 20 JKED N#Cc1ccccc1N1CCCN(Cn2nc(SCc3ccc(F)cc3)sc2=S)CC1 728709826 BQBWMSAHIABKHZ-UHFFFAOYSA-N 471.652 5.147 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 728766854 NOYWUOWWCHMNKN-OAQYLSRUSA-N 450.281 5.619 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1C#N 729410378 QJNGGTGKPOBSAM-UHFFFAOYSA-N 464.591 5.493 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 729633843 GRJSDZLYMKMDJM-QFIPXVFZSA-N 496.995 5.651 30 20 JKED C[C@@H](OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 729780582 JNBMWEQIXFEWTO-CQSZACIVSA-N 483.977 5.310 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2F)c(F)c1 729818391 RHTUGIMSELZOSQ-JOCHJYFZSA-N 494.498 5.136 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731072373 GMEUWFMSJLHDCG-MRXNPFEDSA-N 497.020 5.119 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)c1c(Cl)cccc1Cl 731076502 FFGWOULAZBEISX-ZIAGYGMSSA-N 451.375 5.673 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310406 HQLSOIXOEVLWGE-QVKFZJNVSA-N 483.590 5.184 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(N(C)C)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 746798458 HNFPPMCCJLKSGX-UHFFFAOYSA-N 494.423 5.052 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747004288 UKMCLPZQLAMGQY-LJQANCHMSA-N 452.341 5.246 30 20 JKED N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 747021972 SNZYRRWCZSQYRE-QGZVFWFLSA-N 456.354 5.642 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC 747406097 SKFKDUAUUFZBJS-AMGIVPHBSA-N 469.541 5.007 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCc3nccs3)C2=O)c1 747601096 DTNZYKCYUHOGBU-NRFANRHFSA-N 496.633 5.410 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(CC)c3)N(Cc3cscn3)C2=O)cc1 747604172 YPSPWENIBBYQHB-QFIPXVFZSA-N 494.642 5.265 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3cccnc3)C2=O)cc1 837705927 AYNWYMZDWBANCO-VGOFRKELSA-N 479.005 5.765 30 20 JKED CCOc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(C)cc3C)=C2C)cc1 839950963 UJGBDRAATAOKGA-MHZLTWQESA-N 496.636 5.922 30 20 JKED CC(C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)[n+]1ccc(Cc2ccccc2)cc1 912836594 WKBLISDTYRDHHJ-UHFFFAOYSA-O 474.650 5.181 30 20 JKED O=C(Cn1c(SC(F)F)nc2ccccc21)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914767255 ZMFQCLWNAGXGDI-NXEZZACHSA-N 475.405 5.377 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 915085207 IOWACNQFLWLNNB-QHCPKHFHSA-N 477.511 6.666 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)cc1 915101013 AGYGIKUPKSWAPI-TZIWHRDSSA-N 463.990 5.501 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 916680893 MLGSWEWKHFCNIQ-ZJSXRUAMSA-N 450.369 7.018 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1ccc2ccccc2n1 916849921 WMYXCAKSPFAQCK-KBMIEXCESA-N 457.327 5.994 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 916898902 GAXHXECOMCXHON-HSZRJFAPSA-N 490.987 6.014 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1 916899341 JIZWWRAOGHLINV-AVCGJXAMSA-N 459.590 5.025 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 916904175 XVCWXUOTGHKUGQ-IBGZPJMESA-N 477.586 5.222 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 917508687 UJKWMYFVZUVKLE-JSGCOSHPSA-N 467.374 5.187 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 917588790 QOBWDVHTMOCIKW-UHFFFAOYSA-N 477.977 5.420 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)CC1 917664886 UZUZLBJBNOUJPM-QFIPXVFZSA-N 482.625 5.049 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cccs3)C2=O)c1 917704193 UXMVUWGDABUHSW-JOCHJYFZSA-N 474.611 5.397 30 20 JKED COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)c1cccc(F)c1 917934138 WZZCQHCLPOWJAW-AWEZNQCLSA-N 466.900 5.051 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)n2)cc1 918488895 FOLDENHZYXWHSB-KRWDZBQOSA-N 470.019 5.562 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)c4cc(C)n(C)n4)c3C#N)C(C)(C)C2)o1 919590292 NVGPHYOUQYNCCP-CLFYSBASSA-N 490.585 5.137 30 20 JKED C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 919910836 MEMLHDXRALJXSO-UHFFFAOYSA-N 495.461 5.091 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 920106395 PDNTWRJISXNWAC-FQEVSTJZSA-N 452.470 5.202 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3nc(-c4ccc(F)cc4)no3)n2)cc1 920139590 VMHBXHCFFUZLET-LJQANCHMSA-N 462.506 5.207 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)n2)cc1 920141025 LNLPQRPIJCSYSK-NOZRDPDXSA-N 475.529 5.626 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OCC(F)(F)F)cc1 920279315 ZRKIDJOMQVHQCX-UZUQRXQVSA-N 453.464 6.166 30 20 JKED Cc1ccc(-n2nnc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c2C)cc1 920324930 WLSNOZIVZGCMLD-GOSISDBHSA-N 482.396 5.733 30 20 JKED N#C[C@H](C(=O)CCSc1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 920805653 DZODZEYVEOZNGI-GFCCVEGCSA-N 457.552 6.057 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 920983658 MGZKHITULFKUFK-HSZRJFAPSA-N 495.645 5.224 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2sc3ccccc3c2Cl)C1 1778576069 ZERFXQOYKJRKNM-FQRUVTKNSA-N 489.081 5.675 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4occc4n3-c3ccccc3)CCC2)cc1 1785937184 MYSYWKGDMHVLKZ-UHFFFAOYSA-N 466.541 5.521 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CCC1 1790465356 WMBCHXQDWQFKIY-HXUWFJFHSA-N 460.965 5.289 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4s3)CCC2)cc1 1790511671 WIYDACYPUPGJMW-UHFFFAOYSA-N 480.561 5.298 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)Cc4cccc5ncccc45)CCC3)cc2)ccc1F 1790521480 MCLXAWDKVUXKQM-UHFFFAOYSA-N 492.554 5.165 30 20 JKED Cc1nccn1CC(=O)NC1(c2ccc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)cc2)CCC1 1790691977 PXGHKLBNOHRDSO-UHFFFAOYSA-N 488.591 5.039 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1 1790834600 LYYZWKJJIVYEDO-GOSISDBHSA-N 495.608 5.363 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(O)c3)CCC2)cc1)C(F)(F)F 1791304492 CCFNQWTXPMEAHB-UHFFFAOYSA-N 483.284 5.021 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)o1 1792169286 DAQGYUYDWVQUIV-UHFFFAOYSA-N 457.530 5.308 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)CCC2)cc1 1792263138 MPBMPBWIMWSZIA-UHFFFAOYSA-N 480.490 5.052 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Br)c1CC 1800637999 XLFTVBUHKCWTKO-DMUMMCEESA-N 459.428 5.032 30 20 JKED CCCCCc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)s1 1801300998 KPYCDYJEPCSVHS-WKCHPHFGSA-N 473.759 5.179 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[C@@H]2c2cccnc2)C1 1802415291 ABBRHVIWZAXVHE-QVKFZJNVSA-N 495.904 5.179 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1802498049 LMZSDMOQZOBXAG-GBXCKJPGSA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC)cc2Cl)[C@H]1c1cccnc1 1802501801 CLCBLWKQUNYEOY-CVDCTZTESA-N 470.013 5.056 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)/C=C/c4cc5ccccc5o4)CC3)C2)c1 1805328198 JLTHABNLKWBBGU-ZRDIBKRKSA-N 481.596 5.182 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1808594186 GMBAINQNKYXNEW-NAKRPHOHSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1810172656 QUYJQQYYCOGRPF-OARDWFSCSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1810181678 JMDVPDQVBFULOE-ZRRKCSAHSA-N 459.634 5.222 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1810181980 NITDTWHCDHSPED-DCLXLUIPSA-N 486.443 5.785 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1810495651 UIMLYCNIYOVBFN-XCZPVHLTSA-N 469.629 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1810500405 OZVABENUNCFOKM-YKSBVNFPSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1810503166 OQLRSWJDEOQNAJ-OPXMRZJTSA-N 458.606 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1810503270 SAYCOYDMDPECCB-UGKGYDQZSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1810503282 PIFUCSVOQWHEIP-WMZHIEFXSA-N 477.630 5.314 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1811217312 AJGJNVJBYGOZAJ-IMSXRSKXSA-N 451.998 5.131 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1811615997 BGUHNUMBUKYKEZ-JDXGNMNLSA-N 494.639 5.104 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1813228723 FPDNVMAYUIRLMO-DFHRPNOPSA-N 479.580 5.494 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)cc1 1814497856 LYDJQVRXOKHZAY-DQRYEYLNSA-N 485.613 5.131 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815203417 FHVJYEARWVFFLP-DHLKQENFSA-N 487.044 5.478 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816204225 HVBSUGCOMJFXLR-QHCPKHFHSA-N 461.541 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3sc(C)nc3c2)n[nH]1 1818701555 IZESYDXXFSQROO-FQEVSTJZSA-N 465.623 5.626 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2F)n[nH]1 1820187150 AZZBEQQSNVACCY-JXFKEZNVSA-N 476.499 5.225 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)c1 1820526899 QBYPTJGFFOKBKJ-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1)c1ccc(Cl)cc1 1820547372 QIORTIHALPFSPS-OPAMFIHVSA-N 461.953 5.044 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)n[nH]2)CCC1 1821127771 UYDNCOXFHKUNSF-KRWDZBQOSA-N 479.890 5.082 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(F)cc3)[nH]n2)c(Cl)c1 1821280033 NFOVVYGEOAVOLA-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)[nH]n1 1821920962 AVNCUWSVITYMKQ-XCLFUZPHSA-N 487.938 5.408 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1821984387 QYIXYZSRDUKKMF-QZEKMECESA-N 482.453 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cncc(C(F)(F)F)c2)n[nH]1 1822657563 XUHGZXGIJHSRRF-FQEVSTJZSA-N 491.558 5.441 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)[nH]n2)cc1C#N 1823291025 GCSSYVQTJHNBRW-RDGATRHJSA-N 489.551 5.085 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823648054 CRDODIRKVDFNCY-XXBNENTESA-N 479.646 5.321 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccc(C)cc3)CC2)C1 1823700291 PNAKDHNDIYAWHC-SANMLTNESA-N 457.618 5.257 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C)c(Cl)c3)CC2)c(C#N)c1 1823910872 QVXWLMIWNUJEIF-AREMUKBSSA-N 494.035 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1824142960 BFBNXAFNGVUBCB-SANMLTNESA-N 477.649 5.037 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)CC1 1824443705 PKPCBFRLXPHNLY-DNQXCXABSA-N 489.701 5.046 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1824876640 UKAGLXVJOXMTAC-AREMUKBSSA-N 496.026 5.146 30 20 JKED O=C(CCCC(F)(F)F)N[C@@H]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)cc3F)sc2C1 1827850335 GZVWRGPZPSAAQW-LLVKDONJSA-N 497.436 5.259 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1828824723 PDSQGRDPQCAGBB-SQHAQQRYSA-N 477.649 5.107 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1828826636 JKZUNIYPOVXHOK-GMAHTHKFSA-N 454.014 5.213 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2)CC1 1828907127 VEWTUPBTMWDXMS-XMMPIXPASA-N 456.678 5.110 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1829099232 DDITXTGAKXNOST-AREMUKBSSA-N 489.685 5.395 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)CC1 1829367892 JZJWEJBLMJWEOK-QHCPKHFHSA-N 474.045 5.135 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1Cl 1829690311 WDCOSGHITGJWES-HYBUGGRVSA-N 495.973 5.363 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCC(C)(C)C)CC1 1830345015 RUJAWTSIOYYONB-HSZRJFAPSA-N 462.675 5.112 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)ccc1F 1830567741 KTDDAUIJYPRWGO-XMMPIXPASA-N 467.972 5.206 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1830720794 GZRNQRDULTYWQY-YTJKGUGLSA-N 485.603 5.053 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3cccc4ccccc34)CC2)c1 1830765524 PTXSCGRMWJCZQI-MUUNZHRXSA-N 495.623 5.332 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830785081 ZFSSOYPVNGNDRL-QFIPXVFZSA-N 495.447 5.045 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)Oc1ccccc1 1831232710 RTZAKHJMKZMDMI-IBVKSMDESA-N 494.035 5.303 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1831374312 NPGISMGVJPGISS-AUSIDOKSSA-N 461.046 5.573 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)CC2)c1 1831782135 LXOOSXTZGXHCAC-SANMLTNESA-N 473.592 5.053 30 20 JKED COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1F 1832593906 ZEWKSDVAHNUECT-UQBPGWFLSA-N 477.580 5.008 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1832666568 YKTPWSRSVKAPOB-HSZRJFAPSA-N 480.008 5.076 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1832793410 XPTYJELJZOEOGR-WOTGAKFBSA-N 491.676 5.163 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1832795254 SOWVBEHBUVWXPN-HJOGWXRNSA-N 489.582 5.089 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)CCCCC)CC2)CC1)c1ccccc1 1838417598 GDGGSEDFSAPYKH-RBJSKKJNSA-N 480.693 5.399 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)/C(C)=C/c3ccc(OC)cc3)CC2)CC1 1838424742 WLHUOPBTDLSMSH-ZBJSNUHESA-N 482.665 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4c(Cl)cccc4s3)C2)c1 1843805206 AYLOPYZCPUOYDY-MRXNPFEDSA-N 463.990 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)COc1ccc(Br)c3ccccc13)C2 1844356794 QVCROEAZQDIEDL-UHFFFAOYSA-N 499.449 5.177 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10168428 DAQUILUFGSKWJD-UHFFFAOYSA-O 496.612 6.141 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(N(C)C)cc2)cc1 10836931 LLORUKABAKRVHC-UHFFFAOYSA-O 487.476 6.521 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C)c2)c1 16028806 VWUGWEXROMQARV-UHFFFAOYSA-N 470.978 5.291 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)n(Cc2ccco2)c1C 17981354 SUNRUXKCNWRCAP-UHFFFAOYSA-N 494.960 5.190 30 20 JKED CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1cccnc1 21681716 LVIASWUJFOWBDZ-OAQYLSRUSA-N 496.640 5.880 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccoc1C 22226430 ZUUCYTYEVHBWOB-ZDUSSCGKSA-N 461.469 5.955 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731273 WUTPLKKNINBNOK-UHFFFAOYSA-O 493.652 6.113 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCC2 23210609 PUXFSGSIPWOXRL-AWEZNQCLSA-N 490.585 5.066 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 23998146 IIUSNMVQHLBRSE-JKSUJKDBSA-N 456.999 5.151 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)n(C2CCCCC2)c1C 25832464 CGLGCPKCRAGGGI-UHFFFAOYSA-N 480.565 5.540 30 20 JKED N#C[C@H](C(=O)CSc1nnc(NC2CCCCC2)s1)c1nc(-c2ccccc2)cs1 26022480 LSIMTIZLWNKPLB-MRXNPFEDSA-N 455.634 5.375 30 20 JKED C=CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769950 ZNRRBBFZTOKIKV-UHFFFAOYSA-N 486.380 5.603 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 27393586 KOHMITYBOPLAFQ-UHFFFAOYSA-N 464.909 5.028 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C)o3)n2)nnc1[C@@H]1COc2ccccc2O1 32324847 GGHQCQWNJMRNLK-IBGZPJMESA-N 452.561 5.294 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 36806886 MBGTVEYTPUYISS-UHFFFAOYSA-N 492.029 5.934 30 20 JKED C=CCn1c(SCc2nnnn2-c2c(C)cccc2C)nc2scc(-c3cccs3)c2c1=O 72013687 UMKZAJZBUZGGFE-UHFFFAOYSA-N 492.655 5.257 30 20 JKED COc1cc(/C=C\C(=O)O[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)ccc1OCC#N 104318864 KDFTYUCPBSJGIC-MLPQPIHFSA-N 490.943 5.496 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4ccccc4)n4c3CCCCC4)n2)cc1 108978093 KOKZWWGDIVAVTQ-OAQYLSRUSA-N 463.566 5.762 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1NC(=O)c1ccco1 113144922 ITYJIWMSPOAZDH-OAHLLOKOSA-N 456.285 5.108 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3cccc(Br)c3)s2)cc1 195747144 IGACXUNTDPNNDL-SJORKVTESA-N 471.405 5.207 30 20 JKED CCOC(=O)C1C/C(=C/c2cnn(-c3ccccc3)c2)C(=O)/C(=C\c2cnn(-c3ccccc3)c2)C1 209719142 IBHARKRIRJPYCI-GACBQCINSA-N 478.552 5.067 30 20 JKED Cc1c(C#N)c(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)n(C2CCCCC2)c1C 213891082 BZEFHZSEIOYXHZ-YBFXNURJSA-N 468.604 5.218 30 20 JKED CC[C@@H]1CCc2sc(-c3nnc(SCCC(=O)Nc4ccccc4C#N)n3C)cc2C1 252018941 XDIOPUJUSDOPPJ-OAHLLOKOSA-N 451.621 5.051 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 409809701 FUNAAWGTJQOLMV-OAQYLSRUSA-N 470.573 5.201 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(Cc4ccccc4)n3)s2)c(C(F)(F)F)c1 487389161 NOHRXLNNZBQNHB-UHFFFAOYSA-N 498.555 5.853 30 20 JKED COc1ccc(CN(Cc2ccccc2)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 491755382 AIFFCVUSINGNEH-UHFFFAOYSA-N 496.567 5.260 30 20 JKED C=CCc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc(OC)c1OC 497323085 QHERYVFOKCIAEK-LITSAYRRSA-N 498.623 5.229 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 498312022 UDUGGHNDWIFDCO-UHFFFAOYSA-N 494.425 5.370 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 510916752 NGAAMEHOBKSGNT-UHFFFAOYSA-N 466.994 5.724 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 511577888 WXPRDIIWOIWHEQ-DEOSSOPVSA-N 464.972 5.730 30 20 JKED CCCCCn1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc2c1=O 513239559 ZSKOBHDKGPWQCC-QGZVFWFLSA-N 478.524 5.478 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 513667453 TZUMXHHYSCBMJM-SFHVURJKSA-N 461.568 5.406 30 20 JKED CC[C@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1 513875489 BAEIRVOLUORPHF-FQEVSTJZSA-N 472.564 5.768 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 514558365 IQHZQRFXGZSFPR-UHFFFAOYSA-N 479.323 6.577 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 515738536 JSFOGNSWDKUHCY-QHCPKHFHSA-N 454.357 5.421 30 20 JKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516411771 DVPJRIFAEBHXID-VFNWGFHPSA-N 467.903 5.432 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 517520724 UMUCDRWSUHGUQH-OAHLLOKOSA-N 498.699 5.932 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 518100000 QIFSBEAFYXBLAQ-UHFFFAOYSA-N 466.463 5.171 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(Br)cc1 519430210 DNFRXIYKEIQCEJ-OAHLLOKOSA-N 465.438 5.452 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 519441874 SHDAIPJCPNSZDR-YJBOKZPZSA-N 463.525 5.553 30 20 JKED CCCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H](C)c1ccccc1OC 519914239 OMUYAIXGRUGIBI-LJQANCHMSA-N 456.546 5.824 30 20 JKED N#Cc1ccc(CCC(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)cc1 519938537 FUMAVAKUUIJKAT-UHFFFAOYSA-N 465.428 5.456 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C 519947542 VKQLYCRUYNKVHT-OAQYLSRUSA-N 486.000 6.348 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Br)cc1Br 521328418 RJGOIQJXUASHDZ-NSHDSACASA-N 490.242 5.407 30 20 JKED C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 521516221 GBUCATDCWQOVLS-LJAQVGFWSA-N 481.621 5.738 30 20 JKED CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 521682435 PAVWIFQWROAENZ-UHFFFAOYSA-N 487.551 5.220 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1Cl 521808502 IESSQJOZHZNIKN-DEOSSOPVSA-N 479.024 5.688 30 20 JKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc4c(c2)OCO4)CC3)n(CCC#N)n1 522133841 XDMGOJIWQVMONC-XMHGGMMESA-N 477.524 5.121 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)cc2Cl)cc1 523961714 ZGYDRMGYJFEFKM-NQIIRXRSSA-N 499.876 5.634 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)c2)c1 524277628 ADOWXZYWRPHCME-UHFFFAOYSA-N 456.502 5.249 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2C#N)C1 550991440 JUBRFKQQJCHCSQ-OYLFLEFRSA-N 497.064 5.174 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(C4CC4)n3Cc3ccccc3)c2C#N)C1 589940243 DDTBUKYKAXZRAI-MRXNPFEDSA-N 477.659 5.383 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 590880735 OCFXECTXWFNXFB-HNNXBMFYSA-N 456.449 5.390 30 20 JKED CCCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)c1ccc(C)o1 603619195 OBKRHATVRQAEQV-GOSISDBHSA-N 450.539 5.314 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)cn2)c1 603626907 JTYXTLASAAHHOS-UHFFFAOYSA-N 458.477 6.320 30 20 JKED COc1cc(C(=O)N(C)Cc2cccc(C#N)c2)ccc1OCc1ccc(Br)cc1 603737207 AKDDAEZPTVNUGO-UHFFFAOYSA-N 465.347 5.181 30 20 JKED Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c2cnn(Cc3cccs3)c2n1 603920892 FYIBQTITPHLCOR-UHFFFAOYSA-N 493.592 5.747 30 20 JKED CC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc2c(c1)OCCO2 604084965 PIKKFCBDTYNQEH-XMMPIXPASA-N 457.530 5.376 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604230534 JTYLESUWYMGRHO-UHFFFAOYSA-N 470.508 5.371 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1 604243922 NWGHLCOCQDQJLD-UHFFFAOYSA-N 452.990 5.122 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Cl)c(Cl)c1 604523450 UFSQTDJYEOEZIA-UHFFFAOYSA-N 483.355 5.085 30 20 JKED COc1ccc([C@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)NC(C)=O)cc1 609062926 KUSMMIQBIUPGDN-DEOSSOPVSA-N 477.948 5.005 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 609072358 JXZDFKKZKGBINV-UHFFFAOYSA-N 480.973 5.044 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)nc3)CC2)cc1 609214555 ISIILTLTKALHOK-UHFFFAOYSA-N 481.478 5.114 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cccs2)cc1 609436218 WQZZUXCSDZBZIB-MHECFPHRSA-N 477.655 5.939 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nnc1[C@@H]1COc2ccccc2O1 613907599 IWXONGIEJAPIAB-RXVVDRJESA-N 484.647 5.034 30 20 JKED N#C[C@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 619753771 APESHXDEXUFUPE-QGZVFWFLSA-N 453.445 5.779 30 20 JKED C=CCn1c(S[C@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)nc2sc(C)c(C)c2c1=O 639387089 NCJMISVFTVNSNV-RXVVDRJESA-N 483.659 5.018 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(-c2ccc(Cl)cc2)no1 650946927 SAEQWQWEBLWMEE-UHFFFAOYSA-N 456.930 5.783 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 726393740 RCNDIAVTRIYAQW-RBZFPXEDSA-N 495.979 5.312 30 20 JKED CNC(=O)C[C@@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N([C@@H](C)c2cc(C)sc2C)C1=O 726398261 BKIXAYSPFPSMIX-GMSBJHBQSA-N 483.581 5.081 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726405250 CYKQXIDZFBWVQG-AOMKIAJQSA-N 499.036 5.071 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(Cc3c(F)cccc3Cl)o2)C(C)(C)c2ccccc21 727265958 QEBWGIAGULNYEH-RGVLZGJSSA-N 457.958 5.426 30 20 JKED N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(SC(F)F)cc1 727953837 PCSGEBXZSLGTMW-YDTSGJJXSA-N 456.514 5.683 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cc4cnn(C(C)C)c4nc3Cl)s2)cc1 727975345 SDTMTKKLTQYSPE-YFHOEESVSA-N 452.967 6.002 30 20 JKED CC(C)COC(=O)N1CCC(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 727999686 OHIHOLREYUSRQJ-UHFFFAOYSA-N 469.969 5.234 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)c1 728007012 XTSWVYNIVGNWBX-UHFFFAOYSA-N 452.264 5.060 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=S)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)c1 728226999 UAFGGSQEUHRNMW-UHFFFAOYSA-N 491.682 5.410 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 728422814 GXOBNNNHVBVMPK-NTKDMRAZSA-N 483.597 5.292 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2)cc1 728520558 IDKLIVVWWSZNIH-UHFFFAOYSA-N 463.484 5.351 30 20 JKED COc1cccc([C@H](C#N)NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1OC 729435819 ZOLDKFRQOJKISF-KSSFIOAISA-N 471.966 5.015 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 730948214 CNKTVLVXFPRNQN-GFCCVEGCSA-N 493.445 5.091 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)c(C)c1 731306826 DHDFWSGUWPGCGZ-XMMPIXPASA-N 484.581 5.041 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2ccccc2Br)n1C 731332585 OVKUQIILRKKHRA-HNNXBMFYSA-N 454.393 6.101 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 743526759 WSMFGUZMVDJSNF-QFIPXVFZSA-N 465.550 5.504 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cc2ccccc2[nH]1 746697642 ISOIHZWCLCMOOA-DEOSSOPVSA-N 484.581 5.337 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 746697820 MSRPMSFLURBKHS-IBGZPJMESA-N 495.979 5.394 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 748985917 MIWHJNHPUJDIES-UHFFFAOYSA-N 464.566 5.428 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(C2CC2)n(Cc2ccco2)c1=S 749246700 VRTUIOUIPFFAHX-UHFFFAOYSA-N 477.403 5.480 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Br)C3)cc2)cc1 750702729 PTFSEETUZFRUNA-QHCPKHFHSA-N 478.346 5.718 30 20 JKED CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)cc1 814282875 GWJBAQYOAJKGLR-AQTBWJFISA-N 461.584 5.757 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)c2cccnc2)C1=O 837743282 OGVNWSIJYMYHLK-OPAMFIHVSA-N 496.995 5.904 30 20 JKED N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)c1 856575625 HHEOZTYVMWZVDD-LJQANCHMSA-N 476.964 5.950 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(F)cccc2F)c1 912706473 CUESERSWFTXSMV-UHFFFAOYSA-N 492.931 5.260 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2cccc(Br)c2)s1 914600797 YWKMUYAQDOVTSS-UHFFFAOYSA-N 489.192 5.532 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1F 914692129 VLDHCLCHQSHJOC-HRAATJIYSA-N 451.523 5.010 30 20 JKED C[C@H](OC(=O)CCOc1ccccc1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 914999251 HQJBDOWMRPVTTI-KRWDZBQOSA-N 460.555 5.115 30 20 JKED COc1ccc(-c2noc(CCCC(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)n2)cc1 915100592 WFPMFKACXZBCOH-FQEVSTJZSA-N 458.543 5.376 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)cc1 915101012 AGYGIKUPKSWAPI-PZJWPPBQSA-N 463.990 5.501 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)cn2)c1 915174757 CBNCAPSTIJDVQF-UHFFFAOYSA-N 463.584 5.632 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1nc(NCc2ccco2)ncc1Cl 915851068 KWALBMCCNNNPCH-UHFFFAOYSA-N 475.911 5.501 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(C[C@@H]2CCCO2)C1=O 916204987 LSQNHVLVBVETMG-GBXCKJPGSA-N 495.645 5.232 30 20 JKED N#CCOc1cccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)c1 916410938 IYTKLDQNJZETQR-UHFFFAOYSA-N 451.592 5.162 30 20 JKED C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2F)C[C@@H](C)O1 916680444 GSJXRSCGNJEJPV-FHAGJXEFSA-N 472.564 5.416 30 20 JKED N#Cc1ccc(CNC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1 916691648 AQAVCDGUGXICRU-UHFFFAOYSA-N 450.376 5.331 30 20 JKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916722486 NKNCCDQQLBDVAQ-IFMSOTMUSA-N 477.030 5.158 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1sc2cccc(Cl)c2c1Cl 916887506 NHAGCRJKQKNUKG-NSHDSACASA-N 471.337 6.484 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cc(-c3ccccc3)nc21 916903368 RLUIJISVMBYKPE-SFHVURJKSA-N 487.947 5.050 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916904583 GQDQPZFOIXJIJO-DEOSSOPVSA-N 499.530 5.688 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 916906888 KUQUYMFFPWJNAK-IBGZPJMESA-N 485.531 6.223 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)cc1 916942526 LTNYKUANNHADKI-JNSUZQQQSA-N 462.502 5.092 30 20 JKED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1 917035210 OOJRRAYDPIQGMF-XMZCSZCVSA-N 464.974 5.158 30 20 JKED N#C[C@H](C(=O)COc1cccc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 917045226 WWHVTWNZJJICTH-CYBMUJFWSA-N 455.255 5.333 30 20 JKED CC(=O)Nc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)c1 917682116 FHBPFUJHAJPTEC-DEOSSOPVSA-N 486.597 5.114 30 20 JKED Cc1cccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1NC(=O)c1ccccc1F 918322525 ZKWYGFXUSCTKDE-ZIAGYGMSSA-N 490.419 6.026 30 20 JKED O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918670133 ILLZWHZCZQJHHC-OKILXGFUSA-N 486.334 6.096 30 20 JKED CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1SCC#N 919558342 MRYRSYJZLGEEHB-UHFFFAOYSA-N 480.373 5.143 30 20 JKED Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)Nc1cccc(C(C)C)c1 920487570 VEWBUMPRZNESKI-UHFFFAOYSA-O 490.649 5.841 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 920868654 LDLQPMLVDNKWGZ-GAJHUEQPSA-N 467.635 5.163 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)cc1 929070157 PLFIPSLXMJMXPK-UHFFFAOYSA-N 466.516 5.127 30 20 JKED CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 1525631748 ICAJUOJTAZXCEA-UHFFFAOYSA-N 481.674 6.567 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ncc(Cl)cc3Cl)cc2)CCC1 1785787744 JDLXOQJJIHZXKN-UHFFFAOYSA-N 462.377 5.119 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cn5ccc(Cl)cc5n4)CCC3)cc2)cc1 1785795794 CGWGDGPYBYUJJW-UHFFFAOYSA-N 497.986 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786573868 WNHXDVJMLQULDJ-BJKOFHAPSA-N 495.664 5.679 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(Cl)s5)cc4)CCC3)c2c1 1786734402 IJTNMPREVHAEOM-UHFFFAOYSA-N 489.988 5.140 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c(C)noc4CCC)CCC3)cc2)c(O)n1 1787173321 GXOCAQJDPCJCDT-UHFFFAOYSA-N 488.588 5.216 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3sc(C)nc3C)cc2)CCC1)c1ccc(O)cc1 1787336327 WYVXNVMDLQBAJS-OAQYLSRUSA-N 487.625 5.410 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)cc1 1788030678 RVBITPGBWPTOLQ-UHFFFAOYSA-N 497.643 5.124 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4cc(OC)ccc34)CCC2)cc1 1789449448 REHJZHONYJPEDZ-XMMPIXPASA-N 471.601 5.622 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](NC(C)=O)c3cccc(Cl)c3)CCC2)cc1 1789455723 ATABNGAUOCOESA-JWQCQUIFSA-N 494.035 5.420 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1 1789579480 QISRFFKXSJSKHG-LKCNHADESA-N 475.511 5.201 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(OC)c4)cc3)CCC2)cc1 1790072567 CNHRPHLXNQCOLC-SXOMAYOGSA-N 495.579 5.127 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(F)F)cc3Cl)CCC2)cc1 1790565733 AZYOVPODIFEAJG-OAHLLOKOSA-N 493.938 5.490 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1790569717 PTVFPVXLEPAMBT-OAHLLOKOSA-N 479.474 5.393 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790591165 PDSPNUHKKSTLIN-QRGYCXFASA-N 498.583 5.025 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc5ncccc45)CCC3)cc2)c1 1790761866 JFHJIMLPVOYJCT-UHFFFAOYSA-N 478.527 5.236 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)C3(c4cccc(Br)c4)CCCC3)cc2)CCC1 1791198656 QKUUVAOCFFATPW-UHFFFAOYSA-N 494.433 5.699 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)CCC2)cc1 1791299242 YQIAPLBNQHLZOJ-FQEVSTJZSA-N 495.570 5.002 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)/C(C)=C/CC)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681367 LRNYOQCOSJPGBB-PHKVRQNRSA-N 467.610 5.042 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CCC=C)NC(=O)OC(C)(C)C)CCC2)cc1 1791730703 RWHBJCFCLMJTCX-HSZRJFAPSA-N 481.637 5.174 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)cncc4F)CCC3)cc2)cc1C#N 1792168643 RUKJVIHGKVKBRX-UHFFFAOYSA-N 490.510 5.080 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](CSC(C)(C)C)NC(=O)OC(C)(C)C)cc2)CCC1 1792220790 ADWZIXQKDGGXFD-FQEVSTJZSA-N 489.682 5.122 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)nc1C(F)(F)F)C2)c1ccccc1 1795567462 COMDXXIWHOCGEQ-UTVCDAKHSA-N 498.549 5.054 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 1796966052 CTGVAWOGTCPZCK-YLJCJYEASA-N 487.987 5.793 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1798334905 PWWOISAXQCSLQG-HKNOCEQDSA-N 495.664 5.544 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc([C@@H](C)C(F)(F)F)cc1)C2 1798337857 JPSMSVBFVDPZIY-LDBVRRDLSA-N 462.556 5.302 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC2CC2)cc1F)c1ccccc1 1800261840 LDQUQHCOKLUWGE-UHCVVMIDSA-N 488.603 5.064 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)cnc2s1 1801159394 XOPVMLMFHOJZMQ-REPLKXPHSA-N 488.451 5.079 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)c1Cl 1801201912 SQSUXDMOBVELFR-REPLKXPHSA-N 483.955 5.677 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)N(CC(C)C)CC(C)C)C2)C(F)(F)F 1801703906 PYKAAYLLGZSWMY-KIHHCIJBSA-N 493.614 5.098 30 20 JKED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCCCCc2ccccc2)c1 1804259123 CGTQMSQXPAPYCK-QEIWAGNOSA-N 460.622 5.112 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccsc2)[C@@H]1c1cccnc1)c1ccccc1 1804667000 BAGHXKCZAFIXDQ-KPBUOLMTSA-N 483.637 5.060 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)/C(C)=C/c3cccs3)C2)CC1)c1ccc(O)cc1 1804813698 NSIXLFKUHXQTGL-FABAWLPWSA-N 490.669 5.285 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)c(O)cc3F)CC2)C1 1804865439 UPPIDTVFJHVUCN-UHFFFAOYSA-N 495.433 5.131 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CC3)C2)c1 1805328343 PUBZSCFSQIWMBT-CLJLJLNGSA-N 490.047 5.179 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Br)c(F)c3)CC2)C1 1805458723 UYSPUMIAWMXVNR-UHFFFAOYSA-N 491.445 5.130 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)C2)CC1 1807422309 HCUNJRVMCZOYLE-UHFFFAOYSA-N 459.634 5.603 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)CC1 1808900977 GHWXYFKGFOLCAC-AHKZPQOWSA-N 472.633 5.074 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)cc1 1808977455 UPMXDIYQGUSGKZ-FREGXXQWSA-N 488.591 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CSc2ccc(C)cc2)[C@H]1c1cccnc1 1809469640 GEQBYPJFXXNWEP-WIOPSUGQSA-N 465.663 5.181 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(F)(F)F)nc3ccccc23)[C@H]1c1cccnc1 1810025930 VWQNYDCUOKVSHC-RGZWJVDOSA-N 496.533 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(O)c3cc2OC)[C@H]1c1cccnc1 1810183897 YOXJHIIGJNODCE-MRJKTFCFSA-N 499.611 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1810495057 NPHYNVMVRKVMHZ-LEAFIULHSA-N 496.655 5.764 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1810504441 YZIHYDQMCWCWGS-BDYUSTAISA-N 488.676 5.384 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810725387 GBNXVIKLBQCNTE-ZJGIAAPESA-N 495.623 5.962 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)c4ccccc4c3)C2)CC1 1810760407 UTBOBJQWNICPTQ-LJQANCHMSA-N 499.449 5.038 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811252815 YNNKELVNJHRUEE-SVBPBHIXSA-N 499.561 5.012 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)s1 1811722300 LXAVTGKEPUTGBA-CYFREDJKSA-N 490.604 5.085 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1811943988 JRSJZTZAQMKINK-SHQCIBLASA-N 474.649 5.578 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1812791080 GZNZFHZPUTYAOB-SEGPTPNXSA-N 486.660 5.054 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)[C@@H]1c1cccnc1 1813228715 QLTMYMWBHGHNBD-LYZGTLIUSA-N 496.636 5.358 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)COc3cccc(Cl)c3)n[nH]2)c1 1814668791 BKFJNZSHJXWUFM-UZUQRXQVSA-N 491.979 5.075 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)[nH]n1 1814829782 WIVQULZPIFGMSD-APWZRJJASA-N 458.653 5.413 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccsc3)n[nH]2)c1 1817527243 ZFBKOYWXVAHGET-JTSKRJEESA-N 461.591 5.037 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)n[nH]1 1818161986 JYDZLYSHQKSAQQ-GHTZIAJQSA-N 490.633 5.311 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)n3C)n[nH]2)c1 1818383049 MEDMAMKARWYINY-KXBFYZLASA-N 498.509 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4sc(C)nc4c3)sc2C1 1818444948 TVSZDFMRDRQNCH-DLBZAZTESA-N 466.632 5.055 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C(F)(F)F)nc4ccccc34)n[nH]2)C1 1819192431 SLIQROPJANTNON-HXUWFJFHSA-N 483.494 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)[nH]n1 1819309944 LQEAEWVTVSCDKS-OXJNMPFZSA-N 488.991 5.214 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/Sc2ccc(C)cc2)n[nH]1 1819359004 DNFOGUYXIZFLRM-FIIODCPWSA-N 460.550 5.228 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)[nH]n2)c1Cl 1820219838 ZXOPBYOPYGCJOT-FQEVSTJZSA-N 473.920 5.301 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820548691 LSVXSSDETDHAIS-QHCPKHFHSA-N 471.561 5.078 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2F)n[nH]1 1820997121 AZLMUUROAGJYQD-HYBUGGRVSA-N 480.584 5.412 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)cc2s1 1821438523 SEFYCDWWKKMBDW-JOCHJYFZSA-N 486.601 5.071 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)[nH]n1 1822403601 JJJAIOQDOXJCHO-QGZVFWFLSA-N 490.789 5.189 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(C(F)(F)F)o1 1823210371 BBTNFPIZBLRLLC-VBKZILBWSA-N 499.493 5.577 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)[nH]n2)c1 1823212487 UQODVVKAGGLTSA-KXBFYZLASA-N 457.525 5.024 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216808 BPYZXRPBBAUUMK-LAUBAEHRSA-N 488.617 5.163 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(F)cc3)[nH]n2)c1 1823216854 OZCWSXXTLVEEMT-UUOWRZLLSA-N 473.552 5.115 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1824143062 FDYXMLFSJMUVTK-FUCFDFLFSA-N 489.660 5.578 30 20 JKED O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824414099 ZXSJEKIWMLLDSG-OAQYLSRUSA-N 466.931 5.006 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1Cl 1824932706 XQVCDZUKSLKUJU-XMMPIXPASA-N 494.010 5.316 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)CC1 1826000991 SMNSUXNTNCSJRQ-SFTDATJTSA-N 463.544 5.102 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1)c1ccccc1 1826316647 DGQONTPYBQALGE-KKVCJECGSA-N 471.645 5.741 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1826383222 RPBVKIINPNJYJK-RUZDIDTESA-N 482.665 5.270 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)c1 1826570102 XSHBBHFOXHEVGV-AREMUKBSSA-N 494.035 5.086 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681092 DTKHAWJCVASWSN-GPZLUXPBSA-N 496.698 5.288 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(-c5nccs5)noc4c3)CC2)C1 1828501801 GSJUYSXAQYNLDY-JOCHJYFZSA-N 490.629 5.151 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(OC)cc2Cl)CC1 1828821294 JBULTXAQYVREOG-NOZRDPDXSA-N 473.057 5.279 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1828823793 BIBKWAMKSYENLG-IGKIAQTJSA-N 490.648 5.087 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2C(C)(C)C)CC1 1828825232 UWMIIWYDYSYPLO-VWNXMTODSA-N 451.655 5.381 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nn(CC)c3ccccc23)CC1 1828825235 UYQMZKKNHOZDBO-LADGPHEKSA-N 462.638 5.058 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC)nc2)CC1)c1ccccc1 1829030379 NTMBUHXXQVEMIX-VSGBNLITSA-N 471.645 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(F)c(OC)c2F)CC1 1829068888 VQXJUIBOWDRAMA-HXUWFJFHSA-N 492.607 5.208 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829672819 KIYRMWNHRRIIBJ-DEOSSOPVSA-N 453.602 5.533 30 20 JKED COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc(C(F)(F)F)c1 1829956518 JYFDSKZUENOGDZ-DEOSSOPVSA-N 499.533 5.133 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1829957505 UHCSVTFICTUJSE-JOCHJYFZSA-N 471.935 5.037 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830632209 DWUUNPRPMQBOKJ-HHHXNRCGSA-N 487.644 5.477 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1 1830770258 SILZRTCFMWGPFO-QHCPKHFHSA-N 467.972 5.206 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1832029514 FQOLUJTZEYYHHD-QFIPXVFZSA-N 480.983 5.368 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1832029594 JAWZERLOOBSJKG-MHZLTWQESA-N 457.618 5.176 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1)c1ccccn1 1832330427 WVNUBOYNKRWDEF-MHECFPHRSA-N 498.549 5.009 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1 1832631900 JFJRYZGZFXFRGV-CCLHPLFOSA-N 468.601 5.342 30 20 JKED O=C(/C=N/N1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699981 UAWKKEYHUMVIPY-OSIOQHOLSA-N 486.660 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)C1 1844123679 RFIMKEPQWOMFQQ-UHFFFAOYSA-N 459.512 5.063 30 20 JKED N#CCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 8988422 HACCOERXBNPTFB-UHFFFAOYSA-N 451.983 5.362 30 20 JKED C[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C#N 10134683 HEUBVLIWWLHVCD-CQSZACIVSA-N 495.395 5.627 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCC(=O)c2ccc3ccccc3c2)n(C2CCCC2)c1C 10421272 GAGFTBFZMJJVAE-UHFFFAOYSA-N 471.557 5.390 30 20 JKED COc1ccc(CNc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)s2)cc1 10579656 KAWZUZCOXWEYHM-UHFFFAOYSA-N 496.662 5.295 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 10832501 UPZOVDMRMNVXIE-UHFFFAOYSA-O 452.043 6.593 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1cccc(Br)c1 11089379 KDGNLQPRXYDVOL-UHFFFAOYSA-O 470.412 5.359 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1C(F)(F)F)[n+]1cccc(O)c1)c1ccc(F)cc1F 11157340 TYEUSCHFOIMQNA-UHFFFAOYSA-O 453.412 5.028 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2scc(-c3cccs3)c2c1=O 11382667 OLCCXNZCBHRYOS-UHFFFAOYSA-N 467.641 5.720 30 20 JKED Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(OCc4ccccc4)cc3)NC2=O)cc1Cl 15231820 QNULLRDDTRQCJU-JOCHJYFZSA-N 479.989 5.475 30 20 JKED COc1ccccc1-n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1cccs1 21681221 MMHBEIOLWAYLDF-SFHVURJKSA-N 489.626 5.432 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 21723245 MUGFTIHBRHADDR-QGZVFWFLSA-N 498.027 6.280 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 22217374 BVCZNUHVEYVOBP-LLVKDONJSA-N 452.342 5.091 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)cc1 22802988 MHRZUCHNCBVXDQ-UHFFFAOYSA-O 465.664 5.003 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 23518745 JNTFPSMQBBOCPH-DLBZAZTESA-N 480.565 5.286 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)nnc1-c1cccc(Cl)c1 24782699 HAXMAFVYUIIKME-UHFFFAOYSA-N 453.999 5.274 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 32785763 SQOZSFHPKWVDMP-OAQYLSRUSA-N 468.626 5.765 30 20 JKED C=CCc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)c2cccc(NC(C)=O)c2)cc(OC)c1OC 36800851 GCAAFPFVIFFIFU-FQEVSTJZSA-N 472.585 5.794 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 58779591 RITKHXTXDZNFBD-UHFFFAOYSA-N 456.552 5.671 30 20 JKED CCOCCCn1c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)nc2ccccc21 110867508 OSTFOQBLKLZICG-UHFFFAOYSA-N 454.530 5.166 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nc2ccccc2o1 195557131 AGNORUISDFSPDZ-SFHVURJKSA-N 450.281 5.877 30 20 JKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)CSCc2ccc(C#N)cc2)cc1OC 303051155 JHSWNSROZCFIKR-DEOSSOPVSA-N 460.599 5.217 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)c2)c1 303051871 VODZNMYVLZVSDM-FCHUYYIVSA-N 460.331 5.315 30 20 JKED COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2S[C@@H](C)CC#N)cc1 303318502 HHJFCNVIBICGID-FNZWTVRRSA-N 484.625 5.879 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1 409506924 JVEKZQGFODRJEY-MRXNPFEDSA-N 476.390 5.014 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(Oc2cccnc2)c(F)c1 409815982 XSJBBLDVAXFJDR-UHFFFAOYSA-N 468.488 6.307 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 481831018 RFRSTBBVIUJLKQ-UHFFFAOYSA-N 494.507 5.094 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 485680000 CWYXXIOJPGNWGG-SNVBAGLBSA-N 482.352 5.066 30 20 JKED O=C(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 498645119 IZVUMLLLSYCFIH-UHFFFAOYSA-N 493.347 5.297 30 20 JKED N#CCCn1cc(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 500930945 PLOWGFHEYRAZIS-UHFFFAOYSA-N 477.952 5.267 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 501152671 RUQYBTYECCRZCK-QHCPKHFHSA-N 489.978 5.745 30 20 JKED C=CCn1c(SCC(=O)N2CCC(OC3CCCC3)CC2)nnc1-c1ccc(Cl)cc1Cl 503365615 FLTYDRKOKGQLSX-UHFFFAOYSA-N 495.476 5.480 30 20 JKED C=CCOc1ccc(C(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)cc1 504803836 BHGFRGPUPNKFDQ-UHFFFAOYSA-N 454.876 5.413 30 20 JKED N#Cc1ccc(OC2CCN(Cc3nc(O)c4c(-c5ccccc5Cl)csc4n3)CC2)cc1 507817846 HQSAVZCPNSUGOG-UHFFFAOYSA-N 476.989 5.632 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(Br)cc2)cc1 508284499 FFQPTSAEUDOWKU-UHFFFAOYSA-N 466.335 5.786 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)c2)c1 509212158 PPHZVWORYOOWOZ-QHCPKHFHSA-N 460.921 5.069 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSCc1ccc(Cl)cc1Cl 509958324 PBJKHHHKPGPKTJ-UHFFFAOYSA-N 458.370 6.233 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](c3ccccc3)c3ccccn3)s2)cc1 510087342 RXBLKKCVDXWAIX-HXUWFJFHSA-N 458.572 5.008 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 510913847 FDFKVJPGVXXUGE-DEOSSOPVSA-N 455.514 5.799 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(-c3ccsc3)s2)nnc1-c1ccc(Cl)cc1 515875871 XVDFVOWSFZPZEK-UHFFFAOYSA-N 475.024 5.095 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(COCc3ccco3)c2)cc1 516487458 OMRKUIBZLIIBTN-UHFFFAOYSA-N 468.578 6.090 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1)c1ccccc1 517533644 YJLQKCOEXKIKSS-UGKGYDQZSA-N 464.635 5.387 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-])c1ccccn1 518507519 BCBOYANTDJTQER-BBRMVZONSA-N 455.396 5.067 30 20 JKED C=CCOc1c(Br)cc(CNCc2cc(OC)ccc2Br)cc1OC 518776513 AIQVPHMZUATMDD-UHFFFAOYSA-N 471.189 5.083 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c3cnn(C(C)C)c3n2)c(C)o1 520923516 PVWIWVSWPNSYLS-QGZVFWFLSA-N 473.602 6.536 30 20 JKED CCOc1ccc(Br)cc1CN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 521747575 SJOCBDBCIVCKOU-INIZCTEOSA-N 488.451 6.296 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 521785260 STRPSXCEXZKXTH-UHFFFAOYSA-N 468.513 5.025 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1 523215424 NIIDZXOLEHKGFK-DEOSSOPVSA-N 477.948 5.465 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 523375728 WNIPCIUIZLZMNU-HXUWFJFHSA-N 452.489 5.434 30 20 JKED C=CCN(C(=O)c1ccc(CN(CC)CC)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 588787405 JDIIXZMRBREWBL-UHFFFAOYSA-N 464.418 6.385 30 20 JKED O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590534553 BRRJIQAWKVXPTN-CHWSQXEVSA-N 476.339 5.035 30 20 JKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603962126 FEXYXMHXLUWTHJ-HRAATJIYSA-N 464.974 5.901 30 20 JKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003755 VGHVBMZINIERGS-INIZCTEOSA-N 499.792 6.154 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2Cl)cc1 604026987 RDRTWIQGRIPXOM-UHFFFAOYSA-N 492.000 5.971 30 20 JKED CCc1cc(C#N)c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 604028884 XULYPSWWYPIMCV-UHFFFAOYSA-N 457.515 5.124 30 20 JKED CC(C)OCCCNC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089784 KLJCOHICGHPUAM-UHFFFAOYSA-N 499.011 5.179 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 604186968 TVGVCKMSTDMTPO-UHFFFAOYSA-N 483.572 5.219 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)c(NC(=O)Cc4ccccc4)c3)o2)cc1 609058065 UFGVBYBPNPJAQG-UHFFFAOYSA-N 469.472 5.303 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(Cn4ccnc4)c3)cc2Cl)c1 609079450 DEDCVEPVQZBSTN-UHFFFAOYSA-N 471.948 5.357 30 20 JKED COc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1OCc1ccc2ccccc2n1 609081468 XVMRBUIEHZXCES-UHFFFAOYSA-N 452.514 5.358 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 609376851 KLSPUUDVRDVPQX-OALUTQOASA-N 491.638 5.331 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 609437077 ONVTYEHULBFYBX-IFXJQAMLSA-N 477.417 6.023 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)n2)cc1 613314266 HTXNNZWXKAYPOV-IBGZPJMESA-N 467.554 6.194 30 20 JKED N#C[C@H](C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1nc2cc(Cl)ccc2s1 613407381 RRGRKXOFCDLZTK-GOSISDBHSA-N 474.007 5.004 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCC2)nnc1-c1ccc(OC)cc1 613933297 QIICASRCIMZJRH-DEOSSOPVSA-N 462.619 5.280 30 20 JKED O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301640 TWIIAWSWWCEKIU-GHMZBOCLSA-N 459.312 5.094 30 20 JKED CC(F)(F)c1ccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 622518014 UETXEANXKFYSTC-KRWDZBQOSA-N 467.356 6.050 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnc2ccccc2c1C(F)(F)F 642158957 YXNRDVAQQUNUDV-UWVGGRQHSA-N 458.324 5.893 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)C2CC2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281921 ZCMMTGMWWKHHEF-KRWDZBQOSA-N 456.354 5.955 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 684255207 OIDJRAIOTVVPLP-IRXDYDNUSA-N 496.508 5.157 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)s2)c1 726395504 DRSFFRIBEIMDCQ-QFIPXVFZSA-N 495.626 5.234 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 726398578 KZUJECSOHLJBMI-HXOBKFHXSA-N 479.577 5.364 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414403 AQLPEGUPTFXCIF-DVECYGJZSA-N 497.661 5.333 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1Cc1cccs1)c1cccs1 726416834 TYJVVXZLKVWYQD-NDKFBNENSA-N 498.699 5.466 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C[C@H]1CCCO1)c1cccs1 726422351 WLNFXVSLHFLKPO-NLKYYWLLSA-N 493.654 5.470 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2C)c1C 727252239 APTPTUVEIAXWAT-XMMPIXPASA-N 489.645 5.297 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4C)c23)cc1 727253310 GAKSAXLQVADTPW-UHFFFAOYSA-N 492.517 5.636 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C\c2cccc(Br)c2)cc1 727355459 SEDZKFVWXKEFCI-MBWOQUJGSA-N 453.361 5.517 30 20 JKED Clc1cccc(Cl)c1-c1nnc(CON=Cc2cccc(OCc3ccncc3)c2)o1 727435102 PPMNHXYPFRBTPH-UHFFFAOYSA-N 455.301 5.568 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 728062842 WCPJSEBGZUWMKQ-OAHLLOKOSA-N 473.882 6.249 30 20 JKED CSc1cc(-c2csc(=Nc3cccc(NC(C)=O)c3)n2CCCCC#N)ccc1NC(C)=O 728775771 BVOYURWKCFONRV-UHFFFAOYSA-N 493.658 5.782 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 729145622 MOIKCCCBSULNRF-SFHVURJKSA-N 471.007 5.265 30 20 JKED N#Cc1cccc(OC2CCN(Cn3nc(-c4ccco4)n(-c4ccccc4)c3=S)CC2)c1 729472677 UICHFCLUEMVNCB-UHFFFAOYSA-N 457.559 5.036 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)c1 729668773 PEYLRAZBIOOLOI-UHFFFAOYSA-O 465.595 5.319 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1c(Cl)ccc(C)c1Cl 729670346 PGEUAJQOVISRQN-UHFFFAOYSA-O 492.404 5.582 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)O[C@@H](C)C2 730685645 AZCZKXAHRUEJGS-XNKDMPNBSA-N 479.001 6.166 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccc(F)c1)c1cccs1 731311285 AUIOIFAIQVZNPF-IXJUYMRMSA-N 483.590 5.183 30 20 JKED CC(C)(CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N)c1ccccc1 731312223 JZOSVGSMXLTEDA-DEOSSOPVSA-N 498.608 5.202 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(C3CCCC3)C2=O)cc1OC 743526645 WEGZUOBDGNJOGK-JOCHJYFZSA-N 485.581 5.054 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cc(Br)ccc2F)c1 744762189 XSOACXUNMYBSIH-UHFFFAOYSA-N 463.376 5.361 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1S(=O)(=O)C(F)F 747065680 CJFWEOFGXNDPHL-VQHVLOKHSA-N 479.482 5.224 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)n1 747114284 IESOKMRJRIMKBJ-CYBMUJFWSA-N 466.371 5.169 30 20 JKED C=CCc1cc([C@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccccc2CC)cc(OC)c1O 747144350 SVBMHTBKCQQRSU-RUZDIDTESA-N 475.589 5.081 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747599165 GRDFTBZVTVDOCP-SFHVURJKSA-N 491.425 5.610 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cscn2)c1 747600574 BSGTUMRPZPKWCA-OAQYLSRUSA-N 464.616 5.174 30 20 JKED CCCCCCOc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC 749148381 ZGECWDCFANKLNC-UHFFFAOYSA-N 463.578 5.017 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(COc2ccccc2C#N)o1 751423401 XUGAZDLFUMDFSQ-FCHUYYIVSA-N 479.577 5.124 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1Cl 799218416 GDNLJZVAJBWCRO-KRWDZBQOSA-N 479.961 5.248 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CC(F)(F)F)C1=O 799222063 WYCAGUIHYIDQLH-INIZCTEOSA-N 490.334 5.824 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H]1CN=C(c2ccc(OC)cc2)S1 825131182 ULDZQNIXHVGLJH-HXUWFJFHSA-N 487.050 5.359 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837838616 WVSXVFMACZRDSE-XXBNENTESA-N 458.587 5.420 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(F)cc1F 838573550 MXVCWCGOIFXYRR-QGZVFWFLSA-N 482.350 5.098 30 20 JKED COc1ccc(-c2nc(Cc3noc(-c4cccc(Oc5ccc(C#N)cc5)c4)n3)co2)cc1 904331484 GNXKZRMMHLRORI-UHFFFAOYSA-N 450.454 5.655 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(C(C)(C)NC(=O)c2cccc(Cl)c2)no1 904601362 UGOURTFINHOYAO-HNNXBMFYSA-N 469.369 5.097 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2sccc2C)C1=O 914540639 ANXDCFVAQKWNNZ-FQEVSTJZSA-N 483.590 5.365 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cccc(F)c2)c1 914772532 CANUZTPCAPWAMU-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(CC2CCC2)C1=O 915116668 MMFAOKSWQJPDRP-JOCHJYFZSA-N 451.592 5.072 30 20 JKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)c1ccccc1Oc1ccccc1)CCCC2 915384897 NGQWPLYQBQPABX-OAQYLSRUSA-N 499.567 5.005 30 20 JKED COc1cc(C=NNc2nncc3ccccc23)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 915913946 GEQKBPJLPUALIO-UHFFFAOYSA-N 495.461 5.121 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2OC)o1 916137219 NYQPBYDCEFOBTF-BAQGIRSFSA-N 471.849 5.112 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 916899633 KXQDQJYLHAGZFR-CRAIPNDOSA-N 496.658 5.108 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917045435 ZWHNBNDFSIUGRF-GOSISDBHSA-N 459.962 5.572 30 20 JKED Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=Nn1c(C)nc2sccc2c1=O 917579845 ISJSHFQZUHJKAM-UHFFFAOYSA-N 459.506 5.074 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)cc2OC)c1 917798107 PKLRIBJZRWSCGS-UHFFFAOYSA-N 470.978 5.291 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3c(C)oc(-n4cccc4)c3C#N)c2)c1 918345766 GWVGDPLRXJVJLS-UHFFFAOYSA-N 453.502 5.133 30 20 JKED Cc1oc(-c2ccccc2)nc1CC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 918940328 SLFWIFIAQOIZSW-UHFFFAOYSA-N 474.561 5.170 30 20 JKED C[C@@H](OC(=O)c1ccc(Cl)c2cccnc12)C(=O)Nc1sc2c(c1C#N)CCCCC2 919260393 JVPHOCFRDCVMEU-CYBMUJFWSA-N 453.951 5.274 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 920110669 FPVVNMRRRAQFQJ-DYVFJYSZSA-N 458.008 5.929 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 920142048 JUSFCCWLHFAPAP-OAQYLSRUSA-N 465.534 5.163 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1F 920172883 MCVWUGVHNJJDAP-QFIPXVFZSA-N 481.524 5.207 30 20 JKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)Nc1ccc(F)cc1Cl 920637671 VVZRWDVADKMSPN-HNNXBMFYSA-N 452.869 5.114 30 20 JKED N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920804429 QKPNTAUSMXFKBB-UGKGYDQZSA-N 487.531 5.306 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(N2CCOCC2)cc1 920873260 RBXZQQSGVLRLBE-OAQYLSRUSA-N 470.573 5.051 30 20 JKED N#C[C@@H](COC(=O)Cc1csc(-c2cc(Br)cs2)n1)Cc1ccc(F)cc1 920877042 DFWOCDCKODINEL-ZDUSSCGKSA-N 465.369 5.241 30 20 JKED Cc1occc1-c1nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c(=S)n1-c1ccccc1 921188803 MPKCYUDTLQKRQC-UHFFFAOYSA-N 483.519 5.865 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 921249124 SJZLUOKLEHXJPB-KRWDZBQOSA-N 487.946 5.198 30 20 JKED CC(C)(C)c1ccc(CC(C#N)(Cc2ccc(C(C)(C)C)cc2)C2=N[C@H]3c4ccccc4C[C@H]3O2)cc1 1772768966 LISFIJUZESKNLC-IHLOFXLRSA-N 490.691 7.671 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]cnc3-c3cccnc3)CCC2)cc1 1785842531 FQVMXKGKEGLONG-UHFFFAOYSA-N 457.578 5.212 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)CCC2)cc1 1786393380 CVSYIPDIRULJNT-FQEVSTJZSA-N 490.551 5.055 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](O)c4ccccc4)cc3)CCC2)cc(C(F)(F)F)c1 1787856154 QFWMIDRKTSZXJQ-QHCPKHFHSA-N 493.485 5.058 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)C3CCC(F)(F)CC3)CCC2)cc1 1788649481 KYACCOBUPKILML-CMDGGOBGSA-N 472.557 5.447 30 20 JKED CSc1ncccc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650694 JJRPEXCGYRFAHV-VAWYXSNFSA-N 477.611 5.052 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5s4)cc3)CCC2)cc1 1788971431 RHAMOTQHFHFBHZ-UHFFFAOYSA-N 466.566 5.424 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4Cl)cc3)CCC2)c1 1789073669 GOOALPKFUQJISN-UHFFFAOYSA-N 457.921 5.083 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789117608 YELUSYYWCDQDHL-CCEZHUSRSA-N 491.547 5.531 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1789492447 CFBMZFMSOHILAA-XMMPIXPASA-N 469.585 5.069 30 20 JKED CCc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1790199057 NNWBXNRNPBLQDQ-UHFFFAOYSA-N 464.978 5.292 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)ccc1O 1790309166 XGEJOEKRSUGONU-UHFFFAOYSA-N 478.665 5.200 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(C(=O)OCc4ccccc4)[C@@H]3C)cc2)CCC1 1790482811 UWIYRUOWSZSRJJ-BWKNWUBXSA-N 489.616 5.134 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCC(F)(F)F)c(F)c3)cc2)CCC1 1790587093 RMBQCCQPULJZPY-UHFFFAOYSA-N 477.458 5.064 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)cc3F)cc2)CCC1 1790609057 JVIFBHZDEMUHLX-XODNFHPESA-N 471.891 5.078 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)c12 1790920322 BNSAKEHRFXPKHH-UHFFFAOYSA-N 482.515 5.249 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1)c1ccc(O)cc1 1791646086 CSOANFNSPUDOOZ-OAQYLSRUSA-N 492.579 5.213 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCCCC1)C2 1793577517 GBVOWJCIJDOLRI-BKFWDETESA-N 473.057 5.163 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccc(O)cc1 1797878175 JEDFHIOIWRABNK-HCHZOHPZSA-N 476.661 5.134 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(OC)c2)[C@@H]1c1cccnc1 1802501919 DELBJVFKIGLSFN-AUSIDOKSSA-N 470.013 5.056 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(F)c2C)[C@@H]1c1cccnc1)c1ccccc1 1802763035 QCYVQDJRAOQUPD-XDIPAPSNSA-N 483.587 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4occ(Cl)c4c2)C3)c1 1803680461 FBHOAKDHOJLYOF-KQLYMOGASA-N 461.949 5.279 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(OC)ccc3o2)[C@@H]1c1cccnc1 1809711649 DBFLFHWLLHCHQX-CPJSRVTESA-N 475.589 5.148 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1810500897 ZEEZSWXHOSDHEL-ZCYQVOJMSA-N 486.616 5.357 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)[C@@H]1c1cccnc1 1810503071 NWSDAFDNGGKWTM-UKILVPOCSA-N 472.589 5.049 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c1Cl 1811111739 CIXWKKFIZFBTEX-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811430295 RPLDXSFZIBCNIF-BWKNWUBXSA-N 477.992 5.569 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)c1ccccc1CSc1ccccc1 1811688938 FQTQWTSWWFTBAW-FUFSCUOVSA-N 495.648 5.107 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811748854 DMOZFSIXFAWULK-HXOBKFHXSA-N 497.357 5.033 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)[C@@H]2c2cccnc2)c1 1811938942 BRPKHVAXEYWVCI-SHQCIBLASA-N 496.611 5.072 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1)C(F)(F)F 1812221312 HSIJNAMMHWVBCD-RXVVDRJESA-N 473.520 5.043 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@@H]1c1cccnc1 1812591490 HLPIGOJRINSYOV-WDUKFBBWSA-N 497.920 5.425 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1813225736 ZEWUOHFGIOLMEQ-WNCULLNHSA-N 499.577 5.323 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1814303138 LXYARGXPFJLSIM-NKQQYQHASA-N 469.629 5.394 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1814571195 RUZRXFFLKSHEQZ-NRFANRHFSA-N 457.534 5.058 30 20 JKED O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1cc(NC(=O)C(F)(F)C(F)F)n[nH]1 1815541021 PFETYPAEOISQIC-MVGZEHJDSA-N 492.395 5.034 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1)C(F)(F)F 1817742750 YFDOEOIKQSBSNN-FQEVSTJZSA-N 483.494 5.205 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(C)(C)C)s2)n[nH]1 1818341552 VSFTVRVMRZVMTO-GOSISDBHSA-N 458.628 5.057 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818453967 GGZDICZNGGSNAG-XMMPIXPASA-N 467.504 5.193 30 20 JKED C#CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)sc2C1 1818907530 PRJHKUQOTQKKIA-KRWDZBQOSA-N 481.021 5.073 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)[nH]n1 1819306011 UUDVKNGPBZPYNZ-RBBKRZOGSA-N 473.577 5.447 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)[nH]n1 1819309295 RFXQDPFFWQNSBR-HNAYVOBHSA-N 490.526 5.300 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)cc1C 1819384549 QMRBHAHKMRTVQG-QHCPKHFHSA-N 494.712 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(SC)c2O)n[nH]1 1820195642 XQRUVKJGWWNTLR-GOSISDBHSA-N 456.612 5.136 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1)C(F)(F)F 1820316637 OHXLGTOYJAUKNA-LJQANCHMSA-N 487.457 5.035 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)[nH]n2)cc1 1820548498 GHEROHBPIBVSHN-LJQANCHMSA-N 486.334 5.347 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)n[nH]1 1821088115 SDFSQTOAWAYGHJ-DYVFJYSZSA-N 452.452 5.086 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)n[nH]1 1821267858 QVCWCYDLJVIUEM-KBXCAEBGSA-N 474.487 5.109 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)c(C)cc2OC)n[nH]1 1821341878 WYLACIYZHXGBTM-SIKLNZKXSA-N 450.583 5.109 30 20 JKED O=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1cc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1 1821860064 PITIYPFFTIHTOU-INIZCTEOSA-N 494.411 5.145 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[nH]n1 1822394791 XREVRPNSPBXDJS-UWJYYQICSA-N 474.527 5.114 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[nH]n1 1822584303 IBYLODGBIIUWBH-VWPQPMDRSA-N 452.986 5.053 30 20 JKED C[C@H](Cc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1822592067 SKQIUCBWCHARKL-RNHFSVANSA-N 469.589 5.221 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C)c2Cl)n[nH]1 1823142124 YCWMULDRDQCLAD-KSSFIOAISA-N 480.396 5.132 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](CC=C)NC(=O)OC(C)(C)C)n[nH]1 1823347138 XIXNCRGEYIMBHG-RBBKRZOGSA-N 499.656 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)n[nH]1 1823516563 KMDQNIWDUQIIQG-AZUAARDMSA-N 489.661 5.088 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(Cl)cc(C)nc4c3)CC2)C1 1823700569 QYKUPMPNZMHSEP-VWLOTQADSA-N 466.025 5.396 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)CC1 1823986190 QSJAEJPQPKJUDU-HYBUGGRVSA-N 461.021 5.410 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1824513209 WEMXQRBJQHGYCK-UWJYYQICSA-N 467.437 5.126 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1824538674 RSFFTMCHNHKOFR-OXQOHEQNSA-N 450.695 5.151 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)CC1 1825553822 GVEZVLBQKYJKAY-XMMPIXPASA-N 497.561 5.203 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1827734416 ARZVBHYFYJGMJG-QHCPKHFHSA-N 499.030 5.092 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734437 FKVXRSAUQWTPSI-DEOSSOPVSA-N 481.036 6.027 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1827736088 TYYMHCIWBGSJQA-XMSQKQJNSA-N 487.019 5.110 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)ccc1F 1828460234 RDZWFHOXTGQLTQ-CPLCVFOXSA-N 493.667 5.466 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1828825088 TTYVLYMYUBRIQO-DHLKQENFSA-N 468.041 5.823 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)C)nn2CC)CC1 1828826902 FDSSIZHTUDUVOX-LADGPHEKSA-N 454.659 5.028 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1829071434 PUELBUMFMGNAIE-QHCPKHFHSA-N 491.717 5.246 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)CC1 1829414495 AQADXKCUKSHNNO-NRFANRHFSA-N 465.560 5.326 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)c1 1829676399 ZPUUCWHMLYJUTF-NDEPHWFRSA-N 499.655 5.312 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2C)CC1 1829695973 ILLNGCQMXAZLAX-OAQYLSRUSA-N 497.474 5.049 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829908350 XEEKEJJONLIZEN-WMZHIEFXSA-N 452.620 5.031 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Br)ccc3F)CC2)c1 1829951085 ULLSUEWCBANTKN-HSZRJFAPSA-N 498.396 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)CC1 1830379632 VLMBEXIJCPAOGD-SXOMAYOGSA-N 496.692 5.415 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1Cl 1830486333 SCMNSMZNGRXHMJ-QFIPXVFZSA-N 488.390 5.551 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 1830628814 MJTUPEDFJMNNMC-NDEPHWFRSA-N 465.597 5.453 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCCC3)CC2)ccc1Br 1830685459 LSDNMZDFWJEALO-HSZRJFAPSA-N 486.454 5.134 30 20 JKED Cc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830757023 XYISOQCJGFPMNL-XMMPIXPASA-N 483.534 5.433 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1831258578 COLUHAPKAIYVHX-RPXOIIGOSA-N 496.648 5.125 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1831374974 WKIJZZAYEIAMEU-JTSKRJEESA-N 465.009 5.323 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1831447547 YFILHTMUJCDONP-HSZRJFAPSA-N 478.555 5.059 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1)C(F)(F)F 1831453881 PLQMTDQZTNAKHT-QGZVFWFLSA-N 481.317 5.484 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1831849511 YYEAHOGUEOQZJN-LJAQVGFWSA-N 493.651 5.939 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1832029943 YMQCDIMJHHTHFC-GRKNLSHJSA-N 488.672 5.515 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1)c1ccccc1 1832091020 AZACRWOZELDQSC-LOYHVIPDSA-N 499.699 5.448 30 20 JKED CCC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1)n1cccc1 1832631135 RNWYSPFOPISYEB-GDKKVTFASA-N 474.649 5.390 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)c1 1832632351 NUDGSJBBGYLPRN-MHECFPHRSA-N 474.630 5.404 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cncc(C(F)(F)F)c3)CC2)c1 1832633839 OHDNZRXKYQLRKR-MHECFPHRSA-N 498.549 5.275 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)C4(C#N)CCC4)CC3)cc2n1 1832784460 SQZNMFCPZGNOTF-XMMPIXPASA-N 479.024 5.124 30 20 JKED Cc1cc2cc(C(=O)N3CCC(OC4CCN(C(=O)c5cccc([C@H](C)C#N)c5)CC4)CC3)ccc2[nH]1 1838717416 ATBLPEBHCFSLHS-HXUWFJFHSA-N 498.627 5.029 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)C2)c1Cl 1844635762 VGATUMGALGPMFA-UHFFFAOYSA-N 484.943 5.084 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c[nH]c(-c2ccc(C)cc2)c1)c1ccccc1 1848314157 DFLXGISMAHESJF-MYKRZTLLSA-N 465.597 5.003 30 20 JKED COc1ccc(/C=C2\N=C(SCc3ccc(C#N)cc3)N(c3ccc(OC(F)F)cc3)C2=O)cc1 3365002 PEDAVVWLJQMPFF-UCQKPKSFSA-N 491.519 5.845 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)c(F)c1 10170499 FXGXFMKDBXRAIB-UHFFFAOYSA-O 459.541 5.894 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173160 DAPREBZIZCMZSS-UHFFFAOYSA-O 478.062 6.639 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2c(C)cccc2C)cc1 11153452 WUEBIUBDGWPBOK-UHFFFAOYSA-O 462.683 6.501 30 20 JKED C=CCn1c(SCc2cc(F)cc3c2OCOC3)nnc1-c1ccc(Br)cc1 16253747 ASOJRXZEZLKHCN-UHFFFAOYSA-N 462.344 5.192 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccc(F)cc1 18962119 NDPSSRRUKWFARH-QFIPXVFZSA-N 482.581 5.469 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)c1 21227526 PXZMAQXWLXAGIA-FNZWTVRRSA-N 461.635 5.010 30 20 JKED C=CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 21838362 QVKDAURTJJOMNP-UHFFFAOYSA-N 481.426 5.282 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)C[C@@H](C)O1 22301732 SFBLGQIFCMAOBD-IYBDPMFKSA-N 467.551 5.040 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(C(CC)CC)cc2)cc1 22729534 SNHCTQQPNXFSRH-UHFFFAOYSA-O 475.678 6.944 30 20 JKED CCCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)nc2cc(Cl)ccc21 24416330 YUJJAGQRXRPKIS-UHFFFAOYSA-N 474.030 5.157 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1)c1nc(-c2ccccc2)cs1 24845570 AXGWPTWVUQOMHN-UHFFFAOYSA-N 496.032 5.544 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)c2ccccc21 69891395 YSRCJPAQYHDKSZ-UHFFFAOYSA-N 491.020 5.364 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 107766803 KKILBWZSBAUTGN-UHFFFAOYSA-N 486.597 5.848 30 20 JKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1NC(=O)c1ccccc1F 302969435 HUAANBZAHXRRCG-UHFFFAOYSA-N 469.438 5.463 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 483403528 BOSDXZMTWUCMGZ-UHFFFAOYSA-N 468.557 5.325 30 20 JKED COc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccc1OC(C)C 487386325 MTWOJVVGPNRWBR-UHFFFAOYSA-N 475.492 5.672 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccnc3Nc3ccccc3F)s2)cc1 491570575 QSOTWOJNOVSLPL-UHFFFAOYSA-N 462.535 5.232 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1 491570642 RVFLCSZOJMFXIE-XMMPIXPASA-N 460.622 5.452 30 20 JKED CC(C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 502592390 POHPJIZUWVSTSQ-MRXNPFEDSA-N 488.444 6.260 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 502760669 DJMFXHKVHFACIO-HXUWFJFHSA-N 470.579 6.083 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 506418432 IJRCLMBDYXJZIT-UHFFFAOYSA-N 498.352 5.237 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 507745856 ADQAPKXPIWENRO-HNNXBMFYSA-N 492.655 6.017 30 20 JKED COc1ccccc1SC[C@@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510338050 POJQPRCPOUKRTG-SFHVURJKSA-N 489.597 5.151 30 20 JKED COc1ccc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1Br 511461711 LNDVIRFQCAHWDL-OAHLLOKOSA-N 493.361 5.464 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 512223366 BGMMIHRXYRLHTP-NRFANRHFSA-N 487.394 5.251 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 512857754 SRVQYDQQWCYOTQ-NEKDWFFYSA-N 499.567 5.097 30 20 JKED CCCNC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Cl 513869926 RVDYBQPYFPOAOX-UHFFFAOYSA-N 478.955 5.725 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Cc1csc(-c2cc(Br)cs2)n1 515875026 MDIIOFZRXBJZSZ-UHFFFAOYSA-N 451.386 5.531 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517330280 YMBVTMRAFGNQDL-UHFFFAOYSA-N 475.932 5.166 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 517456258 HOIQBEVLAVQFPL-CQSZACIVSA-N 472.433 6.006 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1 519184747 GZWMYOKXGYQMDX-UHFFFAOYSA-N 479.555 6.705 30 20 JKED C[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1c(Cl)cccc1Cl 519442120 YJKIBMODXMEZDU-ZIAGYGMSSA-N 450.391 5.104 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)c1 520557726 JYZKOTGEXZQGSX-NRFANRHFSA-N 454.530 5.542 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C 521326029 JDLKNVGMZOWRAK-GOSISDBHSA-N 487.535 5.972 30 20 JKED C[C@@H](Nc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 524138551 VDWSSQKVFFSAED-LJQANCHMSA-N 480.528 5.797 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 524421237 JWTQFUBPXGUZDD-HSZRJFAPSA-N 468.557 5.328 30 20 JKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 524565713 FJKLAZAGVARAHM-MOPGFXCFSA-N 490.604 6.141 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 524675626 MAAPYNHMUORSQU-SFHVURJKSA-N 477.561 5.226 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 586177296 GEQOGORVBXOEBY-UKKPDTPPSA-N 462.356 5.770 30 20 JKED CC(C)(CNC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589225829 XLGOSOABLUOWDD-OKILXGFUSA-N 464.372 5.755 30 20 JKED CCc1cccc(CC)c1-n1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1cccnc1 589939877 NFBKEZFGWZNWAE-UHFFFAOYSA-N 482.613 5.447 30 20 JKED O=C(Nc1cc(F)ccc1Oc1ccccc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590182283 QUXZWUTWKFYVAH-STQMWFEESA-N 492.391 5.582 30 20 JKED N#Cc1ccccc1OCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 592950558 RCESDHINOYUVSB-IBGZPJMESA-N 487.503 5.292 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 603706105 AZIZNJXBXOXRFN-NYHFZMIOSA-N 451.979 5.631 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OCc1ccncc1 603829190 MHTOCEIJJDHRCD-LJQANCHMSA-N 495.539 5.611 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 603930796 QTVKMQLVIWEGOX-RUZDIDTESA-N 486.568 5.319 30 20 JKED Cc1nc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)sc1-c1nc2ccccc2n1C(F)F 604023916 DAVOGDXQRGEUMP-UHFFFAOYSA-N 479.921 5.189 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 604522927 YFAKHFHMJPVVKG-HOFKKMOUSA-N 455.558 6.291 30 20 JKED CCC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 608815252 KZPMAUNMVYWPLI-NRFANRHFSA-N 482.005 5.158 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1C#N 609073552 LXRMRCUNEZKWSN-UHFFFAOYSA-N 460.534 5.125 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C#N)cn2C(C)(C)C)nnc1-c1ccc(Cl)cc1Cl 609358730 REDGWOMBQRFDSK-UHFFFAOYSA-N 489.432 5.597 30 20 JKED COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1=O 609381677 IOTANIRZJLQVTF-HNNXBMFYSA-N 477.508 5.020 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCC[C@H](OCC(F)(F)F)C1 613005411 HTZZLAZWYZXEIT-LBPRGKRZSA-N 498.342 5.144 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 613403507 DLZHFEIWIWIFGV-ZDUSSCGKSA-N 498.383 6.149 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613404463 NWCMFIFXYLSGDS-HNNXBMFYSA-N 455.417 5.650 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1 619689528 JBAIQHGTTMSNQQ-UHFFFAOYSA-N 467.619 6.790 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 726322003 FAMIKTSPYCCNFJ-INIZCTEOSA-N 460.481 5.266 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OC(C)C)cc2)c1 726571308 RXMPPXFCBGUOCF-UHFFFAOYSA-O 464.998 5.918 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(-n3cccc3)c2)c1 726934830 KORQPYNVUFNRGG-UHFFFAOYSA-N 452.539 5.332 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2)c1C 727252761 NXLYQNOIXYPDHB-DEOSSOPVSA-N 489.645 5.297 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cs1 727267022 MQFFXPSRMPLSKS-LGMDPLHJSA-N 492.025 6.817 30 20 JKED Cc1c(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727267537 WVXFLIBZIKLUBH-YVMONPNESA-N 473.894 5.705 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)CSc3nnc(-c4cccs4)n3C3CC3)cc2)cc1 728455101 ACXUTZUZCAUDMG-UHFFFAOYSA-N 458.568 5.578 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 728776670 DEZIBJYZMKHVGS-LJQANCHMSA-N 458.946 5.133 30 20 JKED C=CCn1c(SCC(=O)OCc2ccc3ccccc3n2)nnc1-c1ccc(Cl)cc1 729629711 VXKXQABCLCHCAX-UHFFFAOYSA-N 450.951 5.168 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2)cc1 729891838 NWMBZNUFNLYHDI-DNQXCXABSA-N 465.578 5.856 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)cc1F 730536943 XZYJHIISLONLBA-QFIPXVFZSA-N 496.995 5.651 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 730942701 VICSPNOOKYAKNF-BTYIYWSLSA-N 482.968 5.596 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2)cc1 731311629 FGBLSTYUDUFQGT-XMMPIXPASA-N 489.597 5.340 30 20 JKED C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)-c1ccccc1C2)C(=O)N(CCC#N)c1ccccc1 746634018 WSPMOEFDSCYFBV-FQEVSTJZSA-N 466.537 5.099 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 746697719 KMWBSVCFHHJTLK-LJQANCHMSA-N 477.989 5.255 30 20 JKED CCOC(=O)Nc1nc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2s1 746793279 JYUFVCDAFKMNIF-UHFFFAOYSA-N 462.487 5.161 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2cscn2)C1=O 747598276 ALZKZIIJYUAOCE-QFIPXVFZSA-N 494.642 5.401 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cscn2)c1 747601467 HEOLLXUEHPWSEZ-QHCPKHFHSA-N 486.622 5.765 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN(CCC#N)Cc2cccnc2)c1=S 798150882 NBARHSUIPUUDHG-LGGPRVQUSA-N 462.623 5.440 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc12 824693284 FAYTVJCFHUIZBB-CQSZACIVSA-N 476.583 5.001 30 20 JKED O=C(COC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(F)cccc1F 843419847 BUPFHMPBOZORCC-PLNGDYQASA-N 453.285 5.198 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N3CCCSC3=Nc3ccccc3)nc(O)c2c1C 871595890 XQYIZAIOOZMDNT-HNNXBMFYSA-N 472.661 5.289 30 20 JKED CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(c3nc(-c4ccc(Oc5ccccc5)nc4)no3)C2)C1 904452260 ZYXBATPSTXQTGK-XWJIAHPJSA-N 473.533 5.178 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915199583 GCTCWUFZBMKVHX-HSZRJFAPSA-N 453.571 5.216 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cccc(OCc2ccccn2)c1 915958485 HHZCTYREJJGXFJ-UHFFFAOYSA-N 486.384 5.309 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1Cl 916057591 UIGIIQUADUDFMD-OXJNMPFZSA-N 492.894 5.034 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916212010 SUFVWTLLBPUHET-RBUKOAKNSA-N 478.401 5.133 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1 916213897 HNIMBJLUHHPBTF-LJQANCHMSA-N 477.508 5.227 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNc3ncc(C(F)(F)F)cc3Cl)cs2)cc1 916286408 BQYXWLZXBOMLGA-UHFFFAOYSA-N 469.876 5.350 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887899 OVCWNVZIGKATTM-KRWDZBQOSA-N 492.345 5.444 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCCc1ccc(Br)cc1 916898595 CSMKDJIGJMCYQY-QGZVFWFLSA-N 477.786 5.480 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916938412 MBNXIVJLYVPZOM-CQSZACIVSA-N 481.858 5.891 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCOc2ccc(Cl)cc2Cl)cc1Cl 916939493 SHNHFZOUPDXKJZ-AWEZNQCLSA-N 455.725 5.162 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 916956239 YXIMRCSRJSUYHR-UWJYYQICSA-N 469.545 5.747 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1 917037118 VULREESEUISENU-NRFANRHFSA-N 487.606 5.236 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 917119448 GFEMIRFGSGJNMU-YWZLYKJASA-N 452.341 5.406 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 917669616 UAXKXXOEQKFNQN-IBGZPJMESA-N 479.524 5.011 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(CC)C(C)C)ccc1Cl 917825630 KVAXVPVMXQOXJN-UHFFFAOYSA-N 455.407 5.245 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)c2nc(C)cs2)ccc1Cl 918634286 LHDBMASFAAJOLG-UHFFFAOYSA-N 496.441 5.416 30 20 JKED CC(C)(C#N)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1 919352778 PWJSBGCNNDFNGS-UHFFFAOYSA-N 485.256 5.292 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 919665517 AMALAASFHUTIFA-XMMPIXPASA-N 481.577 5.824 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3csc(COc4ccc(OC)cc4)n3)cc2c1C 920066203 VJZBDNHCGQXKND-WTKPLQERSA-N 480.567 5.332 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2c(C)noc2C)cc1 920358148 YSYVUAIMWVQFLG-QHCPKHFHSA-N 492.601 5.159 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3COc3ccc(C(C)C)cc3)cs2)cc1 920368746 DJVIZHNYOTYAIE-UHFFFAOYSA-N 479.631 5.495 30 20 JKED Cc1oc(NC(=O)COC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)c(C#N)c1C 920912694 PRSYQEJSVLZFOO-UHFFFAOYSA-N 460.273 5.058 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(N(C)C)c3ccccc23)C1 1778577626 RLTNSFQUZIVNQQ-PDDLMNHVSA-N 491.676 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4scnc4C4CC4)cc3)CCC2)c1 1787187048 JUXSRFYWTDPWSJ-QGZVFWFLSA-N 470.598 5.709 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CC[C@@H]4CNc5ccccc5C4)cc3)CCC2)cc1 1788068530 YKPNOGJNDRAFPX-QHCPKHFHSA-N 492.623 5.565 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1789458007 JUEWKVHTAGFZAE-PKTZIBPZSA-N 493.648 5.146 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1 1789508718 CCIHBZVXHAPGDN-UHFFFAOYSA-N 472.665 5.362 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)cc1 1790692707 VZGRUJCPEUUPHV-UHFFFAOYSA-N 497.643 5.124 30 20 JKED COc1cc(C)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1OC 1790707476 LOJVGEFTNZVUSY-UHFFFAOYSA-N 483.568 5.140 30 20 JKED COc1cc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1OC 1790742628 UQRGJBXMILNDTI-UHFFFAOYSA-N 483.568 5.140 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)cnc4s3)cc2)CCC1 1790986876 FCMQYOIWFGAVDU-UHFFFAOYSA-N 483.391 5.110 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791250384 QRTKNSFGSHEDOB-NHCUHLMSSA-N 497.680 5.616 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C2 1796473338 XJTIPCNSNAHQLL-BKFWDETESA-N 487.720 5.360 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1802390486 NDUZEIQVNNNSJN-YTMVLYRLSA-N 480.612 5.029 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1802503813 UJMDATJVXSSABP-OFNKIYASSA-N 476.646 5.312 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1803084492 QSGXWCIBVXEANX-HYBUGGRVSA-N 494.060 6.038 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1803091494 NONJHKCETWEUKS-RLWLMLJZSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1803219125 XJSNAYVZSZPJIT-FPCALVHFSA-N 459.634 5.296 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)C2)cn1 1804709670 SMRCVVHIOJDJPL-UHFFFAOYSA-N 479.024 5.063 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)C1 1805456365 OYHBRTMCIHOJEP-UHFFFAOYSA-N 457.618 5.362 30 20 JKED O=C(Cc1ccccc1)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1806518488 SQXDUHZAVACZEJ-XLJNKUFUSA-N 499.614 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1807732313 GUUXDCJPGJDHCK-MBSDFSHPSA-N 497.064 5.657 30 20 JKED N#Cc1cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/C3CCCC3)[C@H]2c2cccnc2)cc(C(F)(F)F)c1 1808494489 RCNCBOZKXMMGML-OSUDOFKYSA-N 496.533 5.038 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(s2)CCCC3)[C@@H]1c1cccnc1 1809769573 PURQFVXRNYMRIP-DHLKQENFSA-N 463.647 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3scnc3c2)[C@@H]1c1cccnc1 1809954677 HGWLQBFWROMXJA-OFNKIYASSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1810183557 WRAHJZYTNMLICJ-LSQOFAOZSA-N 451.655 5.318 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1810272927 UEAQODYMFGLNKS-XTEPFMGCSA-N 487.720 5.330 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)[C@@H]1c1cccnc1)c1ccccc1 1810448004 QNUQMJJFKRMVPC-NVIJWRNBSA-N 469.629 5.031 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812667887 FREHTLCVNCDGMH-HZHDMPHOSA-N 493.476 5.031 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1813050361 NVCRSLJDLMCSNN-IRPSRAIASA-N 465.597 5.180 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)[nH]n1 1814823859 HORLKGGNQUQNBM-NRFANRHFSA-N 458.965 5.205 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cnccc2C(F)(F)F)n[nH]1 1815793860 PGOPIZYBDCKVNQ-NQIIRXRSSA-N 489.542 5.217 30 20 JKED Cc1c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)CC3)oc2ccccc12 1818215893 DYMCGMMPBBJWDH-HNAYVOBHSA-N 484.581 5.364 30 20 JKED Cc1cc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)[nH]c2cc1C 1819332078 GHBOEUBFTBTJTL-KOSHJBKYSA-N 495.587 5.150 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)n[nH]1 1819920633 PNJYQDHAIAFFHN-QAPCUYQASA-N 495.933 5.551 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2occc2NC(=O)OC(C)(C)C)n[nH]1 1820368266 URBOJMYQBIJHSH-FQEVSTJZSA-N 497.596 5.424 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccoc2Cl)n[nH]1 1820393151 WWNJPRUSEFBTNC-GOSISDBHSA-N 461.038 5.013 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncccc2SCC)n[nH]1 1820396345 FGOJVVSGTCMSDL-GOSISDBHSA-N 455.628 5.215 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3Oc3ccccc3)n[nH]2)cc1 1820438151 YJAFENIEYLSSGY-VWLOTQADSA-N 491.551 5.693 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1sc3ccccc3c1Cl)CC2 1823085480 KTHYJXLJIMTPMV-CHWSQXEVSA-N 491.038 5.038 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)cc2s1 1823216296 GCKNSMCWICHMLT-QRQCRPRQSA-N 486.601 5.508 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823291077 JNSXTFHCNPWRRO-HSZRJFAPSA-N 489.551 5.136 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2SCC)CC1 1823658508 MVWHBRRUSWDNCW-HSZRJFAPSA-N 455.668 5.195 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2OC(F)(F)F)CC1 1823913972 DANMSHUJEUEMLP-NRFANRHFSA-N 464.528 5.012 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccc(Cl)cc1 1823976491 FQLWIERXEKOMJX-SIBVEZHUSA-N 496.026 5.317 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2OC)CC1 1824137831 PMMWAPWVIXMBHQ-RUZDIDTESA-N 452.639 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1824143084 GOCZGNBWKTVJKL-QHCPKHFHSA-N 474.686 5.133 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 1824143503 PLSDAFQICVRAGH-VWLOTQADSA-N 461.606 5.343 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 1824232709 ACTBFDJQVCCQHY-PLXFJCCSSA-N 470.604 5.456 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)CC1 1824759115 JVMDDKSYDLZONG-GOTSBHOMSA-N 489.701 5.068 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1824958285 QLEWJIFNTGZBDQ-NRFANRHFSA-N 481.687 5.307 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)CC2)C1 1825553874 KNZCGBIFKUBIBD-XMMPIXPASA-N 497.561 5.365 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 1826418944 LAUZPFXBBFUBSP-WSHBGFIESA-N 468.682 5.419 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC)cc2)CC1)c1ccccc1 1826851965 YBLOSCJVRZQSAR-IZLXSDGUSA-N 471.645 5.159 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1)n1cccc1 1827632087 SNEDVKBEJXLTJV-WDDWZANVSA-N 474.649 5.390 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827997765 XSXXVTZDZRXMED-DCFHFQCYSA-N 487.669 5.453 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828496342 YQEGSMJNVCAXOK-DFBJGRDBSA-N 484.040 5.021 30 20 JKED Cc1cscc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829690075 JGKAFPLFMNOVMB-OAQYLSRUSA-N 456.011 5.129 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1830414222 JFRSNNDXGLSXPS-DYESRHJHSA-N 473.614 5.075 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CCC1 1830654122 ODUKEZXTPUZHPD-LJQANCHMSA-N 466.384 5.060 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1Cl 1830714899 HXLPQIYPECKEOL-XMMPIXPASA-N 467.972 5.206 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cc(C(C)C)c2)CC1 1830777250 CFZQTKIWHXAWKP-QHCPKHFHSA-N 473.455 5.219 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCc2ccc(F)c(Br)c2)CC1 1831229858 LKFMFTNBJZYEHZ-QHCPKHFHSA-N 493.461 5.497 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831842380 KTARAKURJPFIRC-RDPSFJRHSA-N 475.658 5.158 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)c3cccs3)CC2)c1 1832633377 HECWELSKEWUEFC-JXALWOEJSA-N 463.647 5.412 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832999418 ZJZCPUBKPVKZEQ-QDPGVEIFSA-N 491.676 5.501 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccccc3Oc3ccccc3)C2)c1Cl 1844867794 YDPCMTGOTSCQBR-UHFFFAOYSA-N 471.944 5.135 30 20 JKED C#CCCCC(=O)N1CC2(CCCN2C(=O)[C@H](c2ccc(OCc3ccccc3)cc2)C(C)C)C1 1846247508 IGNXFYCUOPQQIQ-NDEPHWFRSA-N 472.629 5.012 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)cc1C 11162257 FNWZJLIXSXXFMK-UHFFFAOYSA-O 451.562 5.799 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 11269355 ZAFGRJLXTRVOKD-UHFFFAOYSA-O 473.568 6.202 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(CC)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 14872564 PRTKJQMYCKBRAQ-UHFFFAOYSA-O 487.567 6.439 30 20 JKED CC(C)CCn1c(SCC(=O)Nc2sccc2C#N)nc2sc3c(c2c1=O)CCCC3 15280506 HBNCNMSNHZNHDH-UHFFFAOYSA-N 472.661 5.047 30 20 JKED C=CCc1cc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1OC 16171103 WPRNBRGMESUPRA-UHFFFAOYSA-N 458.725 5.188 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 21341986 QAPMVXNWZHXODC-OAHLLOKOSA-N 461.418 5.750 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 22679487 XVCRSSAKGOMGMD-AWEZNQCLSA-N 477.417 5.416 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 26650571 PFGTYMZFOIVZCD-UHFFFAOYSA-N 450.947 5.107 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc3c(c2)OCCO3)c1 28648924 PDSNWGMAXUKROV-UHFFFAOYSA-O 474.389 5.411 30 20 JKED C=C(Cl)COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 68730246 GNAMYWSEMLXXNA-UXBLZVDNSA-N 474.916 6.133 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ncccn2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 71820270 FSBVBRRQWVQXRE-WBVHZDCISA-N 482.679 5.253 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 72074616 NKLGLGAOYZLSGD-OAHLLOKOSA-N 455.436 5.817 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 108733995 LTJUTGRBFLFQGN-UHFFFAOYSA-N 478.892 5.435 30 20 JKED C=C(Cl)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 206803886 RHMQRGJKEOWZJY-WOJGMQOQSA-N 450.894 5.526 30 20 JKED C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 248221295 HXWLKAXCQLXHML-LQNVXUALSA-N 472.710 6.062 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(F)F)cc1 254868687 BVXIIHDVKPLUAH-GOSISDBHSA-N 479.936 5.396 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)CC1 303039878 PQJALQLLNLVFJU-UHFFFAOYSA-N 494.511 5.107 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)cc1 303305024 DKHGVPUTQNSCQR-NRFANRHFSA-N 488.396 5.122 30 20 JKED Cc1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)nn1-c1c(Cl)cccc1Cl 476127500 BHJQGQUTMLCMRA-UHFFFAOYSA-N 469.357 5.054 30 20 JKED COc1ccc(CSc2nnc(S[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)s2)cc1 480457418 ACCZSEQDOFDKPU-JXORXQGFSA-N 476.693 5.250 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc3ccccc3n2)c1 497491798 FYGWIXMVPHXQQA-UHFFFAOYSA-N 477.973 5.522 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(COC3CCCCC3)c2)CC1 501170808 VVEBBKOLBJDTCR-UHFFFAOYSA-N 469.589 5.310 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 502648354 ONYMCPHKRNWTTO-UHFFFAOYSA-N 484.400 5.478 30 20 JKED CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 502794050 QOVSTPLKBHYUCD-UHFFFAOYSA-N 452.576 5.125 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 505867407 CATCIAQQXVSLPE-NRFANRHFSA-N 490.585 5.098 30 20 JKED Cc1nc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)sc1SCC#N 508978535 JPEKHRXPQKAWDZ-NJAFHUGGSA-N 475.039 5.133 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc2ccccc12 511421198 FLGLUWWBQUMEMP-CJAUYULYSA-N 467.956 5.965 30 20 JKED C=CCOc1c(Br)cc(CNC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1OC 513620610 AQQPGGZMYVXJQF-UHFFFAOYSA-N 481.381 5.055 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 513681404 BKYYTIYPZXMDKG-LJQANCHMSA-N 457.580 5.826 30 20 JKED Cc1c(NC(=O)c2ccccc2)cccc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 515648244 ZMVZJRLVVGDIAI-SFHVURJKSA-N 472.614 5.889 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1Cl 515897672 SHNDILORPRUPDK-IXCJQBJRSA-N 493.994 6.034 30 20 JKED C=CCOc1c(Br)cc(CNC[C@@H](c2cccs2)N2CCCC2)cc1OC 517524431 CRHXWYYAAIKVJN-SFHVURJKSA-N 451.430 5.011 30 20 JKED COc1ccc(CCN(Cc2ccccc2)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 517532606 NNOPGTBXBPYSDC-OAQYLSRUSA-N 459.615 6.366 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc2c(c1)OCCO2 518150494 BMVWKGDFXRAWDX-UHFFFAOYSA-N 454.495 5.213 30 20 JKED N#Cc1ccc(CCC(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)cc1 518171010 LSXQSGCROVGLOE-NRFANRHFSA-N 496.430 5.589 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c2ccccc12 518240929 LYKVFDJWOZXPQL-LJQANCHMSA-N 487.625 5.734 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 518255965 LFNPMCLGBBZGJA-INIZCTEOSA-N 476.524 5.090 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 518680936 FWCGYHPOBVGJKP-QGZVFWFLSA-N 457.669 5.042 30 20 JKED N#C[C@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1cccc(Cl)c1Cl 521292311 MBOATEZCBNMKKK-ZDUSSCGKSA-N 487.231 5.864 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SCCC#N)c1 521717500 YXNZPEAMGATZSZ-UHFFFAOYSA-N 465.600 5.160 30 20 JKED O=C(NCc1cc(F)ccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 521719600 IJZMZSAWOSSIKO-UHFFFAOYSA-N 466.744 5.085 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(OCC(F)(F)F)cc1 522434107 TXWSHWFIYDQGNJ-SFHVURJKSA-N 485.481 6.111 30 20 JKED CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 523200533 CTGBFPNNMGBDAY-XMSQKQJNSA-N 452.986 5.156 30 20 JKED CCCC(=O)Nc1nc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2s1 523274561 MUIAZNALPCJQFE-UHFFFAOYSA-N 460.515 5.331 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCC(=O)Nc1cccc(Cl)c1C 524440470 PCJHXYLJAMLMBY-UHFFFAOYSA-N 476.964 5.558 30 20 JKED COc1ccc(Sc2ccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc2)cc1 524459748 SVPMMZKPIWELRZ-UHFFFAOYSA-N 466.584 5.176 30 20 JKED C=CCn1c(C)cc(-c2nc3sc4c(c3c(-c3ccc(C)cc3)c2C#N)CCN(C(C)=O)C4)c1C 541586806 CCNQSLKCODVFIW-UHFFFAOYSA-N 480.637 6.319 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 570834355 NHQVTQDKUNGMHD-UHFFFAOYSA-N 468.582 5.420 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)cc2C)c1 589062602 HUGMGAXUTIFJQF-UHFFFAOYSA-N 470.978 5.291 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccc(OC)cc1 589941766 WSCOMFYQNLMAIN-MRXNPFEDSA-N 493.658 5.319 30 20 JKED N#Cc1cccc(OCc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@H]3CN(Cc5ccccc5)C[C@H]43)c2)c1 594660148 JGKXMYQLOCBDNA-OKCNIUFZSA-N 477.608 5.120 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(C#Cc2cccs2)c1 602343079 UNCZQNYIGHGTCY-JOCHJYFZSA-N 469.031 5.292 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H]1c1ccccc1OC 603623863 OKFKJFWMDDDTCB-YWEHKCAJSA-N 498.583 5.473 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3nc(C)cs3)c2)cc1[N+](=O)[O-] 608820656 ZGQVOODGAZDWDV-UHFFFAOYSA-N 488.529 5.065 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NC1CCC(c2ccccc2)CC1 609084509 IWVVIHNZNWIKNF-UHFFFAOYSA-N 467.569 5.227 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(NC(=O)c4cccnc4)cc3)c2)cc1 609208615 YFSSZISJFOIDJL-UHFFFAOYSA-N 463.497 5.320 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 609404200 JASDLVSNOKAYFD-QUCCMNQESA-N 489.563 5.567 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 622937264 YWTJTEBLROLJAP-RKVPGOIHSA-N 470.429 5.426 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282188 RYVICYZJPRKROD-OAHLLOKOSA-N 471.485 6.119 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/[C@@H](C)c1cccs1 726420760 MXTVIOFSJCEZOM-CFKGYVGISA-N 486.594 5.082 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C/c3csc(N(C(C)=O)c4ccc(C)cc4)n3)SC2=S)c1 726627440 QIKRXFCPLMFHCI-BKUYFWCQSA-N 475.620 5.523 30 20 JKED C[C@H](NC(=O)C(=Cc1ccc(O[C@H](C)C#N)cc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 728694970 OJBZLPPQZHPCBD-FSSWDIPSSA-N 467.569 5.116 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCCCC#N)C2=O)c1 728777256 JTLVDIDFLSXBHW-NRFANRHFSA-N 452.555 5.097 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(C)c2)c1 729667296 ATMNVDCWRWBKDE-UHFFFAOYSA-O 477.534 5.028 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1Br 730583797 LCUCHOUPHDRFRD-UHFFFAOYSA-N 488.194 5.106 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730942469 QDMBLKYLWQNEIR-CYFREDJKSA-N 488.613 5.429 30 20 JKED CC(C)n1c2ccccc2n2c(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)nnc12 731029409 AZEJIQVTPMFOIO-INIZCTEOSA-N 464.620 5.390 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cn(Cc2ccccc2)c2ccccc12 731068073 QGWHUYOEQSRLFR-HXUWFJFHSA-N 483.593 5.737 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1ccc(F)cc1 731070986 NUGAUTZTYDWAAJ-KRWDZBQOSA-N 480.565 5.325 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)sc1-c1ccc(F)cc1 731077146 KHWVWHBGVHBEIX-HNNXBMFYSA-N 468.575 5.910 30 20 JKED N#C[C@@H](C(=O)c1sccc1S(=O)(=O)C(F)F)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 731136040 LGBMZVMHKWYZKZ-OPVYADIMSA-N 482.599 5.159 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nnn1-c1ccc(F)c(Cl)c1 731288637 YRVMFRJLQJAQOL-SFHVURJKSA-N 489.894 5.122 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)cc1 731304905 BTRAEHDFVVYWQP-GAJHUEQPSA-N 474.586 5.071 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(O)c1 731305797 PMRGYWVPWUDUMV-NRFANRHFSA-N 483.952 5.345 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1cccs1 731310637 MIJXXYCASIAGAN-HTAPYJJXSA-N 479.627 5.354 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2c(c1)CCC2 731312170 IRRVNDRNZRZISH-MZNJEOGPSA-N 489.597 5.065 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731313179 UISYTNLCJRDLFC-IBGZPJMESA-N 473.476 5.068 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1F 745991217 QJOHGZQFFQURNM-LPHOPBHVSA-N 496.391 5.272 30 20 JKED C=CCc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(CC)cc3)s2)cc(OC)c1O 747063600 NXFUOLDXOCPBIC-PDGQHHTCSA-N 455.967 5.532 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1 747602249 KECWCESTPPIELF-NRFANRHFSA-N 499.061 5.828 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccc(F)c(Cl)c2)C1=O 750917931 ZCLHSRAJOVAABN-INIZCTEOSA-N 487.956 5.062 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 768137231 LKFUBHRNPMYNCA-RCCKNPSSSA-N 480.948 5.817 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C(F)(F)F)c1 799210252 PSOLYBRFLHXMII-GOSISDBHSA-N 479.911 5.261 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cccc2ccccc12 799210647 VLLTZXVTSIYXNU-FQEVSTJZSA-N 482.949 5.382 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 837425474 PBFNMZFFVXGVOA-WZONZLPQSA-N 476.577 5.559 30 20 JKED C=CCN(C(=O)c1nn(CCCCCC)c(=O)c2ccccc12)c1nc(-c2ccccc2)cs1 895564127 ILNXOXXHAVOCAY-UHFFFAOYSA-N 472.614 5.933 30 20 JKED N#C[C@H](C(=O)CN1C(=O)CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102947 LNTFNLPFOCSLSX-OAHLLOKOSA-N 472.353 5.109 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 915105253 XKZBVAZTFVIMNM-GDBMZVCRSA-N 486.578 5.703 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)cc1F 915116566 JYXRPGQXIYWYFD-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1csc(SCc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)n1 915174777 CIJDWMATAUUISG-UHFFFAOYSA-N 458.568 6.055 30 20 JKED COc1ccccc1-c1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)no1 915649824 HNAIGSJUEUKBDB-UHFFFAOYSA-N 484.459 5.540 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1 915786713 IPNDDSJRTWPGTC-KAYWLYCHSA-N 463.512 5.325 30 20 JKED FC(F)(F)COc1cccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c1 915958537 JPXZNUXUBRYHBZ-UHFFFAOYSA-N 477.295 5.276 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2)cc1 916213163 AMUMZKGDBSWGDN-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888211 TVIUZZSPBGEDAU-QGZVFWFLSA-N 457.527 5.318 30 20 JKED Cc1ccc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(Br)c1 916906257 RTEGHFQRFLINSM-AIGDTVQASA-N 475.342 5.911 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916906377 HGGNFKJMRSHVGQ-XMMPIXPASA-N 482.609 5.713 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916916911 BNMRYHMZPDMHIT-XMMPIXPASA-N 476.561 5.741 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916930624 FAJZQWHQRKGZGJ-HNNXBMFYSA-N 479.161 5.436 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 916955964 WEXPFEXUAMVLIE-BTYIYWSLSA-N 451.979 5.867 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042919 IARSAOCEHQYUFM-INIZCTEOSA-N 476.476 5.562 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 917504976 INWJUIUPVNBDPR-QFIPXVFZSA-N 484.508 5.339 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 917507382 VWTFLXDUFAGSHI-JFLYLQGUSA-N 492.934 5.733 30 20 JKED CCCn1c(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)nc2ccccc21 917545607 XQKUFUZECIKALS-UHFFFAOYSA-N 461.378 5.095 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cs1 917560279 VCBMWYJQEAIOFS-DHZHZOJOSA-N 493.541 6.500 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1ccc2ccccc2c1 917702144 ZKKGIUCMQSTZDH-QHCPKHFHSA-N 475.570 5.003 30 20 JKED Sc1nnc(SCc2ccccc2)n1N=Cc1csc(COc2ccc(Cl)cc2)n1 918711046 CDFUZCYLBKATFO-UHFFFAOYSA-N 474.036 5.430 30 20 JKED C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1 920108675 XSQRDKFBALMMBX-SJKOYZFVSA-N 456.436 5.861 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3nc(-c4cccs4)no3)n2)cc1 920138207 BMLZQGFIUYGUNB-MRXNPFEDSA-N 450.545 5.129 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)n2)cc1 920140701 BDITUZKJUSNJBY-NOZRDPDXSA-N 480.545 5.763 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)s4)n3)n2)cc1 920144272 ZNFFIHZPXYNYEW-OAHLLOKOSA-N 467.000 5.939 30 20 JKED Cn1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c(-c2cc3ccccc3o2)n1 920365393 VQSRZGDWIDVGAR-UHFFFAOYSA-N 464.554 5.340 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)OC(=O)c4ccccc4OCC#N)cc3)sc2c1 920633170 INFAQXAUSNAAAH-QGZVFWFLSA-N 471.538 5.358 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 920867311 DFNZRVJXCODJHD-DNVCBOLYSA-N 494.444 5.545 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2c(Br)cc(F)cc2Br)cc1OC 920970813 REIHQERWNZRMEZ-FNORWQNLSA-N 485.147 5.576 30 20 JKED COc1cc(/C=C\C(=O)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])cc1OCC(F)(F)F 921270322 UFARMOOVBSOHOB-BAQGIRSFSA-N 479.386 5.074 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCO[C@]3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)C3)C2)cc1 1785081981 MXWKHTGMYGUNHB-IPBJYNAHSA-N 493.607 5.046 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccc(C)n4)CCC3)cc2)c(O)n1 1787172629 OCJDEEOTLUTWJK-BMRADRMJSA-N 482.584 5.070 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3csc(C)n3)cc2)CCC1)c1ccc(O)cc1 1787527937 NALLQLLNPFIAPN-FQEVSTJZSA-N 473.598 5.102 30 20 JKED Cn1nccc1-c1cc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)sc1Cl 1788381608 NJFOUXZYPDVOCK-UHFFFAOYSA-N 494.020 5.244 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)CCC2)c1 1788896786 GORKTXANTODQOU-SFHVURJKSA-N 467.525 5.104 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3S)CCC2)cc1 1789507967 ZOTRKIXRGVLVGY-UHFFFAOYSA-N 465.695 5.169 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccncc5)[nH]n4)cc3)CCC2)c1 1789795570 HUXVQYLSOHLTHK-LJQANCHMSA-N 490.567 5.160 30 20 JKED CCn1nc(C(C)C)cc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790521181 PILBZKORZDSDNQ-UHFFFAOYSA-N 487.579 5.028 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1C 1790705354 VFLQAWSKTYCPBE-UHFFFAOYSA-N 467.569 5.060 30 20 JKED Cc1nccn1[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790787669 RASYFZZQUPSJFU-INIZCTEOSA-N 495.505 5.091 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)c1 1790795896 FKHUBZXPHMDFFV-UHFFFAOYSA-N 460.537 5.476 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3O)cc2)CCC1 1790807757 MIZKBAZFPYULOC-UHFFFAOYSA-N 468.553 5.132 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cnc4c(F)c(F)ccc4c3)cc2)CCC1)C(F)(F)F 1790965918 RTDRPIXZTBOBLN-UHFFFAOYSA-N 475.417 5.379 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@]4(F)Cl)cc3)CCC2)cc(C(F)(F)F)c1 1791678441 SANHXVCYCYHIIQ-PGRDOPGGSA-N 479.861 5.249 30 20 JKED C#CC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)cc2)CCC1 1792227799 AGODDHUSMXAPGF-JOCHJYFZSA-N 496.007 5.063 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ccccc12 1797279614 DDYMRQXDPONWLI-SBZFUYPRSA-N 473.642 5.108 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)cc2C(F)(F)F)C3)c1Cl 1799307143 LLAQHCQWXWIWOH-MUJYYYPQSA-N 496.316 5.449 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 1800463798 UTKUOYNTWLSVME-ACDBMABISA-N 489.925 5.115 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1801643414 KFKVOTGXRMPNAJ-OWLYRPNTSA-N 453.410 5.245 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)N(CC(C)C)CC(C)C)C2 1801697930 WPPINNIGOCISSL-ZFFYZDHPSA-N 489.651 5.191 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)[C@@H]2c2cccnc2)C1 1802405237 HTLNYCKYKQBLDE-SQJMNOBHSA-N 485.550 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1802502678 GFANPWGAYPSQQK-ZJSXRUAMSA-N 459.590 5.448 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)cccc1C(F)(F)F 1803837099 NEFQPBWMUYTIIR-BJWYYQGGSA-N 475.898 5.105 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1806454163 OLFVDZNYLLMGSL-MHXSTTJDSA-N 494.639 5.297 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2Cl)[C@@H]1c1cccnc1 1806535006 PUGKDXPQJBAYIS-HOFKKMOUSA-N 496.127 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3cc(C)[nH]c23)[C@@H]1c1cccnc1 1809270022 GCZIDZRTPKDTAX-DHLKQENFSA-N 458.606 5.183 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4cccc(Br)c4)cc3)CC2)C1 1809512053 FTHLGOMRVXUXMM-UHFFFAOYSA-N 494.433 5.265 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1810175643 NGUIQLPPZLUQPC-PQNGQFLHSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810409919 OUEBDPZDMVEYKC-KCWPFWIISA-N 491.607 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1810498681 OXAPBXBZMRBHQU-VJGNERBWSA-N 471.645 5.277 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)c(C)c2)[C@H]1c1cccnc1)c1ccccc1 1811085883 MQXTUKFKQLEDTC-UNCTUWKVSA-N 483.587 5.046 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811721822 OBFNCLITNLZYTI-AIUHUKMKSA-N 469.585 5.406 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(F)c(Cl)c3)[C@H]2c2cccnc2)c1 1811787208 BQGJGFFDWVXLFJ-FDDCHVKYSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1811996478 BDUCQOIHHIPCCL-YOSAUDMPSA-N 486.443 5.785 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1812499883 DXAISEGSFZKSRR-SDUSCBPUSA-N 478.036 5.241 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1815097416 XKILVYWFRNTDLD-ZHRRBRCNSA-N 494.020 5.421 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)n[nH]1 1818816908 MLOJKQYIANMRPW-XJCKULRNSA-N 489.620 5.598 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c3ccccc23)n[nH]1 1818985213 SPNMHUGNSLOUKO-NRFANRHFSA-N 479.378 5.045 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccc(Br)cc3n2)n[nH]1 1819181779 DERFOTPVDDXSIW-YCRPNKLZSA-N 496.409 5.239 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3Cl)n[nH]2)c1 1820427651 VCOBSTSGQKZSSS-KSFYIVLOSA-N 461.953 5.310 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)n[nH]2)c1 1821048387 BMHIQUHUTIOMLD-XMMPIXPASA-N 480.528 5.021 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3N3CCCCC3)[nH]n2)cc1 1821181867 RTYDPEIOAZXRTI-SANMLTNESA-N 496.615 5.086 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821204214 WODLUFIFOIYYDA-SJKOYZFVSA-N 453.345 5.374 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)cc2F)n[nH]1 1821328882 VOHGJRIMMRFHJV-XXBNENTESA-N 468.573 5.410 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1821925422 SPGNLLXVWOGIFP-VFNWGFHPSA-N 451.958 5.129 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)n[nH]1 1822316669 YYGSPWWUNZYDOV-HSZRJFAPSA-N 499.055 5.550 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1822581975 VYHDVGPKGZVBPI-QFIPXVFZSA-N 493.007 5.724 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)[nH]n2)c1 1823210534 GZLMXEMNJLLWBS-PBEJRMEISA-N 469.536 5.168 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)c3ccccc3)n[nH]2)cc1C#N 1823495551 BSLABDBLTOCYPI-YADARESESA-N 485.588 5.178 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1)c1ccc(O)cc1 1823588702 DZQMBLOEHOWXOS-JQXZYWDBSA-N 496.558 5.050 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(F)F)c(OC(F)F)c3)CC2)C1 1823702690 SRNMPKQLCCVXDC-LJQANCHMSA-N 498.517 5.089 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1823811571 GFQWMLKWFCVHJP-NDEPHWFRSA-N 492.623 5.096 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)cc1 1823939332 XFEISNTXNLVORH-XMMPIXPASA-N 467.972 5.092 30 20 JKED Cc1cc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)ccc2[nH]1 1824361353 ORJKXRIHMIQJFQ-QVKFZJNVSA-N 483.597 5.100 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)CC1 1824448849 FYYMCMFNIJFERW-GSDHBNRESA-N 466.666 5.411 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1824539685 UUXYUXNEWXFCRO-QUCCMNQESA-N 474.564 5.032 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824953681 UZAANPAVVBUUNR-BDYUSTAISA-N 474.645 5.607 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1824960458 NPYLODFQEBSPCB-NELJVSICSA-N 491.495 5.001 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1827925119 UIDIPIGLKQDOJE-SANMLTNESA-N 498.652 5.423 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828164534 XUJNSUJDKIHAEI-DEOSSOPVSA-N 484.040 5.104 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1828656657 YYLFLTXVCRHNKV-QHCPKHFHSA-N 498.465 5.357 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1828822033 DEANEYZIZFVDJI-ISKFKSNPSA-N 476.583 5.636 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3cc(C)c(C)cc3[nH]2)CC1 1828852887 NSSDEJILHUJUNE-WIOPSUGQSA-N 462.638 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2C(=O)OC)CC1 1829068237 LZGZNOJZNRSHPC-VWLOTQADSA-N 482.665 5.018 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)CC2)c(Cl)c1 1830101135 SFCMDOWKXGJPMJ-HSZRJFAPSA-N 471.935 5.037 30 20 JKED Cc1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830754835 KRHIMIBQXRLMNU-NRFANRHFSA-N 489.563 5.494 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)CC2)c1 1831019021 IGRGNOZSLKAGPW-SANMLTNESA-N 487.003 5.307 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1831375128 NAKYCJPAYZTODH-DNVCBOLYSA-N 471.951 5.199 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc(Br)cnc23)CC1 1831852074 NVEZIBGNNXSBNI-QHCPKHFHSA-N 496.449 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1832632394 OSWFDLVXPGQJCX-JTSKRJEESA-N 499.442 5.563 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3F)CC2)c1 1832633343 GSUPVSYYTGFYGU-MHECFPHRSA-N 465.544 5.139 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1Cl 1832635529 IIOAEOWCPLFOLN-DFBJGRDBSA-N 494.035 5.523 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1836696639 MUYWJJALTHKYRI-IZZNHLLZSA-N 485.068 5.211 30 20 JKED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC1CCC(c2ccnc3ccc(F)cc23)CC1 1848062053 UYROCMBHSAVVMV-TZNWWYNESA-N 495.664 5.159 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 8936287 MMKQWYLOBQEUGB-UHFFFAOYSA-N 490.591 5.371 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 10168584 YLQMVIWJBIHCLS-UHFFFAOYSA-O 453.578 6.218 30 20 JKED CCOC(=O)c1sc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(C#N)c1C 14596654 WVVSNCPDQKTGIY-HXUWFJFHSA-N 495.988 5.258 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1oc2c(ccc3ccccc32)c1C 16251164 CXIMWOCPRZTUMF-UHFFFAOYSA-N 473.529 5.016 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccc(Cl)cc1 18972596 VJWWEHZZMBEUBG-JOCHJYFZSA-N 481.046 5.844 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3Cl)n2N)c1 21656756 YTOXEWNRJGFAGZ-HNNXBMFYSA-N 489.432 5.010 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 22695174 VRUFOHSXPGDELV-UHFFFAOYSA-O 494.414 6.908 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)NCc2ccccc2)cc1 22730798 PYHGPZRZWMDQPP-UHFFFAOYSA-O 457.663 6.095 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)c(Cl)c1 22732756 QMBXEZGDKUYWPM-UHFFFAOYSA-O 488.023 6.871 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nc2sc(C)c(C)c2c1=O 23405034 GMJYHVBYKCIYAZ-MRXNPFEDSA-N 455.649 5.505 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 23518457 MSSINZQCIDWCST-CYBMUJFWSA-N 481.380 5.608 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)cc1 25439878 BRDAKWCIYCHREL-HHHXNRCGSA-N 497.620 5.169 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 303117305 DPBXDDDZEJTQFN-OAHLLOKOSA-N 453.420 5.235 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)CC2)c1 409525552 NZSACNRPMLXIHJ-MHZLTWQESA-N 466.585 5.292 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 480152391 JXHZTVSCGFDUTQ-DEOSSOPVSA-N 455.514 5.429 30 20 JKED CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481622472 HHIWLGYROTVRIC-UHFFFAOYSA-N 464.516 5.011 30 20 JKED N#Cc1c(NC(=O)CSCc2cc(-c3cccs3)on2)sc2c1-c1ccccc1CC2 488592049 GKZXULJZMYUDBM-UHFFFAOYSA-N 463.609 5.974 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 495394395 IBUHIJOKBZVAJO-UHFFFAOYSA-N 454.448 5.146 30 20 JKED COc1cc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OC1CCCC1 498346967 ZQNVREUJKSUKCN-NRFANRHFSA-N 486.616 5.902 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 501137215 VHHGBGFVXFYPGU-UHFFFAOYSA-N 468.557 5.050 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1 502985961 WPRYKDKRGPCQIA-FQEVSTJZSA-N 450.926 5.040 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccc(F)cc3F)C3CC3)s2)cc1 503260265 OLDQDMLTUDCSCO-UHFFFAOYSA-N 457.531 5.177 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)[C@H](C#N)c4cc(C)nc(C)n4)sc3[nH]2)c1 503573187 QWXIYQQNKQQXDA-QGZVFWFLSA-N 489.626 5.099 30 20 JKED N#Cc1ccc(CC(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 504387871 KCGXIMDDMBKEMD-SFHVURJKSA-N 472.397 5.743 30 20 JKED C=CCn1c(SCc2cc(Br)ccc2OC(F)F)nnc1-c1ccncc1 506624109 NLLSEPJNBMPMAA-UHFFFAOYSA-N 453.312 5.182 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)CCc2ccc(F)cc2)c1 508340945 DQGNOIZEONIPQX-UHFFFAOYSA-N 486.996 5.175 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)CC1 509455943 YFGJGCOFHOPGPG-UHFFFAOYSA-N 479.949 5.438 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 509470584 MQUFCQJORRGTOU-UHFFFAOYSA-N 477.520 5.407 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1 509681447 CVGLQYDJTBKLJI-UHFFFAOYSA-N 461.934 5.315 30 20 JKED C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)C1 510054014 HZHCNYLNJBMSAK-DVECYGJZSA-N 479.024 5.498 30 20 JKED C=CCN(C(=O)c1nnn(-c2cccc(Cl)c2)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 510679774 FAXRCWAZQDHMJK-UHFFFAOYSA-N 480.937 5.094 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2)cc1 511263600 AYUQYVTYEYZMFF-UHFFFAOYSA-N 481.581 5.488 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(NCCc4cccs4)s3)c2C#N)C1 515340947 CHDNWCUWTBBTGZ-CYBMUJFWSA-N 489.717 5.433 30 20 JKED COC(=O)COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 516464784 BSMJNSQCFYBTMR-INIZCTEOSA-N 461.326 5.159 30 20 JKED Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1 516822518 LZEXCDXCVRNKOS-RUZDIDTESA-N 477.586 5.018 30 20 JKED C[C@@H](Oc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1)c1ccccc1 517475961 KEKDECFQMHIIEM-OAQYLSRUSA-N 463.537 6.119 30 20 JKED CC1CCC(OC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)CC1 518162820 KIHOJVVSCQRVDW-OWZGOFHBSA-N 466.025 6.587 30 20 JKED Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C 518675879 UOGILJWFKMVGLE-FQEVSTJZSA-N 475.536 5.630 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Br)cc1 519998722 FSXGPAJMTXWFKL-QHCPKHFHSA-N 478.346 5.319 30 20 JKED Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)Nc4ccccc4SC[C@@H](C)C#N)CC3)n2)cc1 520858136 ONGXGSITNCBQFR-PMACEKPBSA-N 490.633 5.208 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 520937913 LJJDFCRCZPISMM-RTBURBONSA-N 490.604 6.284 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2(c3ccccc3)CCOCC2)cc1 523539168 KQHCPAOTXWMXKM-UHFFFAOYSA-N 457.549 5.158 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)cc2Cl)c1 524390368 GSGSGABXZXPHSV-UHFFFAOYSA-N 486.959 5.146 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524391650 ULSBHAMSGNZUNZ-FQEVSTJZSA-N 473.598 5.453 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 524424442 XIQPTPISYORBEZ-HSZRJFAPSA-N 481.474 5.194 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1Cl 524707180 BCCDEESPHSGNPE-QHCPKHFHSA-N 459.933 5.140 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2csc(-c3cc(Br)cs3)n2)cc1 553164998 CLPNHYPJTPWTEM-UHFFFAOYSA-N 462.394 5.593 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC 559897327 JHZXYGRDWAMFTR-INIZCTEOSA-N 477.369 5.742 30 20 JKED Cc1ccc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(OCC(F)(F)F)c1 590028951 MEDRRTZRAVLIGJ-UHFFFAOYSA-N 489.409 5.154 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1I 603641504 CLCJPPZCSQCHLJ-HTQZYQBOSA-N 483.165 5.070 30 20 JKED N#Cc1cc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1OCC(F)(F)F 603660416 RVJAHCFSMGICRT-UHFFFAOYSA-N 460.481 5.521 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)s2)c(C(F)(F)F)c1 603757718 IZWFBHQMCQZKEO-UONOGXRCSA-N 461.431 5.932 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)c2cccs2)cc1 603802033 YJMSOCAXATXYOX-NTKDMRAZSA-N 459.619 5.149 30 20 JKED CCOc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(OCC)cc1NC(=O)c1ccccc1 603970970 DMNJIRINDMZUSE-UHFFFAOYSA-N 499.976 5.062 30 20 JKED CN(Cc1cccc(Br)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604085968 VZGKYJGAKFDOSF-UHFFFAOYSA-N 463.335 5.237 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nncn1-c1cccc(Cl)c1 604101993 FGQNYRIIPUGHGS-UHFFFAOYSA-N 476.949 5.019 30 20 JKED CC(C)CC[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccc(Cl)cc1 604130286 WKWFCJSTHPOCRT-FQEVSTJZSA-N 455.990 5.086 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCc3c[nH]c4cc(Cl)ccc34)s2)cc1 604488090 RIFSGFYZLRFWKW-UHFFFAOYSA-N 468.995 5.201 30 20 JKED CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 608865455 ODYDHIRLIVQROZ-UHFFFAOYSA-N 462.937 5.166 30 20 JKED COc1ccc(C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2)cc1OC 609001023 IOZRTSWTZYQOLD-RUZDIDTESA-N 457.574 5.479 30 20 JKED COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CC2 609078598 BRXNQXYYRMCNTK-UHFFFAOYSA-N 457.530 5.053 30 20 JKED Cc1[nH]c2ccc(CNC(=O)C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc2c1C 609088207 PLXPRESIDAXJCZ-UHFFFAOYSA-N 486.959 5.144 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103889 HEPNDDCKQFEQIG-UHFFFAOYSA-N 474.517 5.609 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 609153559 SCBOTOWIMHPWGZ-GOSISDBHSA-N 459.506 5.122 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609185031 KXBFYWGVQJXKFY-UHFFFAOYSA-N 467.978 5.239 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 609370936 KQVUINXAIHBGEK-GOSISDBHSA-N 489.626 5.569 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2cc(Br)cs2)n1 609377699 COILCLKDCZXUOV-LLVKDONJSA-N 464.435 6.138 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 609378128 SDVZAFZYRANGPC-QMHKHESXSA-N 454.954 6.490 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1 609378510 MGOVIMJWOBETIO-SFHVURJKSA-N 450.482 5.521 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1C 609427111 PUKVTJABRPQMCT-UHFFFAOYSA-N 489.597 5.007 30 20 JKED O=C(NCCOc1ccc(C(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612804199 DRNLIEURKOSDCH-RYUDHWBXSA-N 466.344 5.293 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 613407474 UNLPUTRJJWPSOZ-AWEZNQCLSA-N 486.405 6.715 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2cc(Cl)ccc2n1C 613907263 CMUZNMBKEFUVGG-UHFFFAOYSA-N 460.390 5.529 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)cc1 614999847 GOZHEWPAIBOYKF-UHFFFAOYSA-N 454.505 5.155 30 20 JKED CCOc1cc(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OC(F)F 616090237 RVDBQQJJGXFRCA-RYUDHWBXSA-N 478.380 5.395 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(C)no2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 641994897 WLYBUOADYIUTJV-KRWDZBQOSA-N 468.586 6.199 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2c(F)cccc2F)n1 726321035 BVRCZWDYOBPMSV-SNVBAGLBSA-N 452.269 5.356 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1Cl 726407237 PWPYATWCEAPMDG-QGZVFWFLSA-N 493.803 5.641 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCOC(C)(C)C)c1cccs1 726421501 NBXNNSMDQNKBGM-XBPHMGBKSA-N 495.617 5.231 30 20 JKED CC(C)(C)c1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(CO)c2)cc1 726571630 ZRRLCHBDSZCDCO-UHFFFAOYSA-O 479.025 5.612 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)C3=Cc4ccccc4CC3)s2)c(C(F)(F)F)c1 727249728 DLQKBWASUSRWKI-UHFFFAOYSA-N 475.517 5.353 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2C(F)(F)F)C[C@@H](C)O1 728010144 DWEBJYYCKJDRAL-NXEZZACHSA-N 450.354 5.128 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cc2F)c1 728187053 QKVCCFAIPYDMIW-UHFFFAOYSA-N 490.512 5.096 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1CCCCC#N 728778493 SCGQFMXFWHQPBS-FQEVSTJZSA-N 498.992 5.001 30 20 JKED COc1cccc(C(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c2ncc[nH]2)c1 729240701 XHEDYUQFPRKEIN-UNOMPAQXSA-N 480.496 5.261 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 730982524 RVBGVRZAUWWCIU-UHFFFAOYSA-N 489.981 5.538 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2C)cc1 731309497 WQMZKTLXBMLHBV-XMMPIXPASA-N 489.597 5.178 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 746695070 BLVPHSAJZMCLMM-NRFANRHFSA-N 492.016 5.565 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN2CCC(C#N)CC2)c1=S 747079106 USXKVKNTKFIVKO-VMXMFDLUSA-N 469.630 5.322 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 749338987 WITOPKFCAWFBBL-MRXNPFEDSA-N 480.418 5.167 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 751083099 HJEHSZVVIIVPAM-JOCHJYFZSA-N 453.523 5.375 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c1C 799215273 JPXNJFISMUYEMW-KRWDZBQOSA-N 471.451 5.104 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)c2cccs2)c1 875261901 REMNNMMWPVIYKK-LJQANCHMSA-N 475.570 5.109 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 914552450 BGNVVGBZQAIKCW-CYFREDJKSA-N 472.614 5.043 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 915101826 LZENIGQZUJDKPY-OAQYLSRUSA-N 477.973 6.066 30 20 JKED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915200297 YAPOJYHQZBJQPI-LOSJGSFVSA-N 455.558 5.417 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915354271 YYEBXAQANHKPJU-HSZRJFAPSA-N 485.975 6.490 30 20 JKED CC(/C=C\C1=C(C)CCCC1(C)C)=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O 915927790 XLERBAJWZUGTJP-TXIKQIDQSA-N 451.640 5.230 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc(Cl)c1OC 916127654 DEVUNCSWRWGONB-JYRVWZFOSA-N 451.906 5.271 30 20 JKED CCn1c2ccccc2c2cc(C=Nn3c(S)nnc3[C@H]3COc4ccccc4O3)ccc21 916319603 BUSFZYVLSYIBND-HSZRJFAPSA-N 455.543 5.089 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)CC2)cc1 916693164 BFMHVJNUZMFTBT-HXUWFJFHSA-N 489.472 5.584 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1ccc(F)cc1 916847103 LMLFALAGTPZWBF-LJQANCHMSA-N 460.534 5.312 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(SC(F)F)cc1 916885713 APHVNTFHHSWPOF-INIZCTEOSA-N 475.904 5.590 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 916897435 ZCFOYCUHNLMODM-IBGZPJMESA-N 462.893 5.130 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916903519 SYUJPWBZUNJYQD-NZQKXSOJSA-N 488.927 5.072 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(COc2ccc(Br)cc2)o1 916939774 SXIIWJOLBHPBCI-INIZCTEOSA-N 491.700 5.375 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944814 NUDNIXOPOKUQEY-INIZCTEOSA-N 464.761 5.660 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O[C@@H](C)C2 917042368 FASNWDSJXPJHGE-YMKHFMGBSA-N 472.488 5.927 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2F)C[C@H](C)O1 918141054 ROVLHTQJMKCIQF-PMACEKPBSA-N 489.616 5.533 30 20 JKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2csc(COc3ccc(Cl)cc3)n2)cc1 918710252 ILTVWZKMPNVDPC-UHFFFAOYSA-N 493.948 5.406 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H]2CCc3cc(F)ccc32)C1=O 920170003 IPLJKQBQESPKIZ-ISKFKSNPSA-N 489.572 5.482 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2ccco2)C1=O 920173149 NLEFLWCLVUTLGA-QFIPXVFZSA-N 491.569 5.064 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1csc(-c2ccsc2)n1 920362597 FWKKVZFGQBQLHZ-UHFFFAOYSA-N 469.016 6.154 30 20 JKED COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 920474840 RHEZWNQLBJTALU-UHFFFAOYSA-N 464.481 5.259 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 921106130 YQTVZILUERLEEP-CYBMUJFWSA-N 477.970 5.465 30 20 JKED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)nc2O)n1 1127419312 OAEPQKSPNVKMBR-UHFFFAOYSA-N 450.285 5.071 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2sc3ccccc3c2Cl)C1 1778575186 AGNHMPDLBYAXPF-KAWPREARSA-N 487.065 5.451 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CCOc3ccc(Br)cc3)cc2)CCC1 1785746887 BEEZOSARQZCYBD-UHFFFAOYSA-N 483.406 5.156 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCC2)cc1 1786103325 XEIWMYKSRPRYPW-LJQANCHMSA-N 469.626 5.050 30 20 JKED CO[C@H](C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1)c1ccccc1 1787850427 DOHODYAVZRYTGC-MHZLTWQESA-N 467.569 5.013 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(C(F)(F)F)ccc5[nH]4)CCC3)cc2)CC1 1787880434 NYVKKUSRFUTHGL-UHFFFAOYSA-N 466.463 5.238 30 20 JKED Cc1cc(Cl)c(Br)cc1C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787888357 JTFKOYGLUNMVQR-UHFFFAOYSA-N 474.786 5.462 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCn4cccc4)CCC3)cc2)c(C(F)(F)F)n1 1788358507 DZJOANHHJUUKDM-UHFFFAOYSA-N 495.505 5.002 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)cc3)CCC2)c1 1788367655 RTKAVHPKJQAQDT-UHFFFAOYSA-N 485.931 5.256 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cn(-c4ccccc4)c4ncccc34)cc2)CCC1 1788396194 FURYZJXJMKGKRZ-UHFFFAOYSA-N 463.541 5.077 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccn4cncc34)cc2)CCC1 1789361713 VXTJAXBENRUNHI-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])CCC2)cc1 1789455959 HARCXBSNQAFPPP-HSZRJFAPSA-N 477.561 5.048 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)OCCO4)CCC2)cc1 1789508202 XDURHSZDXQSWAL-UHFFFAOYSA-N 490.676 5.257 30 20 JKED CC[C@H](C)[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1790481632 RTYZUWJDSGNVOS-SIKLNZKXSA-N 496.652 5.144 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)ccc1F 1790524755 UQYASXKBKGRERX-AREMUKBSSA-N 467.491 5.120 30 20 JKED Cc1cccc2[nH]c(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)cc12 1790706648 NFTFYQPHJVOAEB-UHFFFAOYSA-N 462.553 5.604 30 20 JKED Cc1cc(Br)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc1F 1790819831 OFVWRSOYHVJHQB-UHFFFAOYSA-N 495.352 5.158 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Br)cccc4n3)CCC2)cc1 1791588851 BWTCTUROIPUTET-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4noc5c4CCCC5)CCC3)cc2)c1 1792123612 MKWVFPRNHSTWID-GOSISDBHSA-N 468.557 5.242 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)c1 1792127193 SNKOPXISVAWRJQ-LJQANCHMSA-N 480.543 5.315 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]n1 1794799891 JPYNAXOUZMAAJO-FCGDIQPGSA-N 486.538 5.116 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2n1 1798197714 AWEHQOBXWHXBMS-FCGDIQPGSA-N 482.422 5.018 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)c(F)c2)c(Cl)c1 1799342563 JHLPUVIIDLAWCI-KOUNCHBCSA-N 487.962 5.583 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(Br)cc1 1802012638 QYNBXEYEAJEBAU-XUZQTMSHSA-N 459.428 5.093 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1802498894 OZWMUYSGFWVRAM-CYFREDJKSA-N 479.621 5.747 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1802501652 PWNQKBLQZSWWPC-GRYUFTJMSA-N 465.613 5.098 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@@H](CNC(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1 1802954964 UDQSWEQMBWDCOB-CUBQBAPOSA-N 498.627 5.105 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cnc4c(F)c(F)ccc4c3)CC2)C1 1805458608 QQNVNVBBAJFWHR-UHFFFAOYSA-N 467.560 5.126 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)C2)CC1 1805894545 RADKSUOPHOMBLI-ISKFKSNPSA-N 497.680 5.004 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809210216 SFOVIGQLSRSUBZ-CYFREDJKSA-N 498.048 5.252 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1809338548 ZVVARYNANMYRKV-XUZZJYLKSA-N 476.646 5.312 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 1809493054 CJDFKKLGQGJYHH-ADAOPCQVSA-N 490.563 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1810172713 BTJDDSHKGKIYQY-MKYKQAKUSA-N 496.655 5.577 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)cc2C)[C@@H]1c1cccnc1)c1ccccc1 1810446273 BABNIAQHGNGIQZ-FQLPYIGMSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccnc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1810494374 DXPUHPLSQQKYNE-LADGPHEKSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1810502450 JDLAALVFDAOUDM-IAPPQJPRSA-N 498.671 5.801 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)sc3Cl)[C@H]2c2cccnc2)cc1 1811105474 REQONPLYWKDJSI-GHTZIAJQSA-N 499.423 5.149 30 20 JKED C[C@H](CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811749413 WKPCXTNABFAFGG-PSNDRKBRSA-N 487.003 5.120 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)N(CC)CC)[C@H]1c1cccnc1 1812425580 VNXFBDKKZXYWLJ-PFBJBMPXSA-N 490.692 5.163 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1812473243 ZRJIJPYJSFCLLX-XRODADMRSA-N 465.613 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1812961480 MEBQNGCAQDHPSQ-RNXOBYDBSA-N 479.640 5.659 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)cc12 1813866459 RZYIZWPPVBPRSN-GDRRSRKRSA-N 491.595 5.132 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cncc2Cl)n[nH]1 1814365397 ODAJIAIONJZGLE-RDTXWAMCSA-N 462.381 5.186 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1814571196 RUZRXFFLKSHEQZ-OAQYLSRUSA-N 457.534 5.058 30 20 JKED Cc1ccc(OCCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1814634794 NNRRMVVZLCTYFR-NLFFAJNJSA-N 485.588 5.120 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1815571996 DARLUEOTMSMQSU-INIZCTEOSA-N 494.411 5.606 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)n[nH]1 1816108954 SFZQFXVGZPRPFA-DHLKQENFSA-N 487.604 5.488 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc(C)oc2C(F)(F)F)n[nH]1 1818080312 PEDBXNZEPHWOQX-OAHLLOKOSA-N 467.492 5.023 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606717 BKVZSKDIYJYHTR-SJLPKXTDSA-N 487.025 5.157 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820096644 YZOSALGBJYIHSA-LJQANCHMSA-N 495.555 5.690 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1cc(F)ccc1OC(F)(F)F 1820205352 QBCYPUFCBHHIOS-CQSZACIVSA-N 496.383 5.096 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820224018 WBDDPKKPNFOULK-IBGZPJMESA-N 465.916 5.002 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)cc1 1821031716 CZDRAIGLWRJHHM-NRFANRHFSA-N 483.906 5.027 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(F)c(OCC)c2F)n[nH]1 1821297107 JFUDTFOXCJMHPW-BEFAXECRSA-N 490.526 5.300 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821524279 OIQRYAIQCNXDGC-RDPSFJRHSA-N 497.599 6.225 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1821921400 PQCRKFKNAKOAGY-VLIAUNLRSA-N 473.499 5.428 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc(F)cc(OC)c2)n[nH]1 1822270722 ZEIVERPRLSKVTR-VCZPOSNWSA-N 466.557 5.031 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1822393048 HIJOYPPMUVKQFY-NRFANRHFSA-N 478.980 5.334 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)[nH]n2)c1 1823212164 LOEYHTKSHXEVQJ-SIBVEZHUSA-N 494.599 5.457 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c1 1823212993 ODFPMFSFEIPYFI-NYHFZMIOSA-N 479.943 5.449 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1 1823290662 YYCUKTYOPVOBNS-HXUWFJFHSA-N 460.500 5.236 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cc(Br)ccc4c3)CC2)C1 1823700728 WQIPEWDLIDBYAP-RUZDIDTESA-N 495.461 5.802 30 20 JKED CC(C)(Cc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1824101725 WQWQSZPTRNDEIR-MHZLTWQESA-N 471.645 5.255 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1)c1ccccc1 1824241612 OJQDQFYFTMAOKY-SVBPBHIXSA-N 457.618 5.231 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1824501711 URYKAYAJHCLSNG-JOCHJYFZSA-N 484.534 5.061 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)c[nH]2)cc1 1825423876 BHTVAIBISCBGBR-NDEPHWFRSA-N 480.612 5.409 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1826315456 ZUPCEPKBLAXEPD-HTIOENIKSA-N 456.030 5.147 30 20 JKED Cc1ccc(C2(C(=O)N3CCC([C@H]4CCCCN4C(=O)C4(C#N)CC4)CC3)CCCCC2)cc1 1826685646 SGHHYAKIKHBBKT-RUZDIDTESA-N 461.650 5.120 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1827355055 GDUNIEZABWCTTN-SANMLTNESA-N 493.598 5.454 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)CC1 1827515372 LOXAATNSNDUZIZ-UKILVPOCSA-N 464.650 5.402 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1cccs1 1827681357 KHHQTZGREHNSBO-SHBDEGQCSA-N 489.012 5.213 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)c1 1827986744 LHRCFFDVJDLRAE-LAUBAEHRSA-N 453.970 5.107 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828037789 HYMKJDIBJSWOQV-SANMLTNESA-N 489.736 5.519 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1828821400 MPTBCWRSYRSPJX-UIOOFZCWSA-N 487.084 5.887 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 1828827548 XLNNZHQRMFCLBX-VPUSJEBWSA-N 472.633 5.145 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCCC2)CC1 1828903826 HFYDQWLZMGWRSJ-VWLOTQADSA-N 458.763 5.628 30 20 JKED C[C@H](Cc1ccco1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828908761 VEZRWJQIEJWVKX-RDGATRHJSA-N 470.730 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nscc23)CC1 1829068542 CQHXZBQNYPTWAC-HSZRJFAPSA-N 453.652 5.522 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1830102803 JEWPXCWRIMMXRW-DWACAAAGSA-N 487.644 5.650 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830409284 IEEJTEXOHGADOB-REXAPNPKSA-N 485.575 5.021 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)CC1 1830687476 RUTLRQLMEAMNLJ-XMMPIXPASA-N 498.465 5.322 30 20 JKED Cc1ccc(NCCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c(C)c1 1830718418 IMOUOVDYXSFCTI-MHZLTWQESA-N 490.623 5.050 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1 1830719134 XXSRMSVHVGNMES-QFIPXVFZSA-N 488.390 5.551 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccsc3)CC2)c(Cl)c1 1830720525 QQAILDLDWNTDLA-BVBLWJPBSA-N 468.022 5.220 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Br)c3ccccc23)CC1 1831858491 RVHMYUFAMYMJQI-HSZRJFAPSA-N 499.449 5.177 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1832632414 PLRICFCGTVDAPK-UZTOHYMASA-N 486.591 5.481 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cncc(C(F)(F)F)c3)CC2)c1 1832633835 OHDNZRXKYQLRKR-HOYKHHGWSA-N 498.549 5.275 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1832686659 FJSBXOAWLAZUCH-JOCHJYFZSA-N 485.962 5.231 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1832826591 WLLVAUKGEGBDSI-DEOSSOPVSA-N 481.434 5.249 30 20 JKED CC(C)(C#N)C(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCc3ccccc3)CC2)CC1 1836580763 OSVQGMUCPXSGRJ-UHFFFAOYSA-N 495.708 5.508 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1)c1ccccc1 1837685261 MAVSWKOFJMFWOG-SKCUWOTOSA-N 487.644 5.000 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC(OC2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1838390912 WYSFQRDYLYWQGV-QURGRASLSA-N 498.740 5.041 30 20 JKED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)CCCCCC(C)(C)C)C2 1845210348 FHIWOIKGKSSQBN-XMMPIXPASA-N 497.680 5.058 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCCc2ccc(C(F)(F)F)cc2)c1Cl 1847772374 SLEKOVXONOPBOR-SFTDATJTSA-N 489.925 5.069 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)Nc1ccccc1C#N 9968169 ABCOGHPNSHHWFG-HNNXBMFYSA-N 461.497 5.203 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760444 ATNCAZDZNLZVNZ-UHFFFAOYSA-O 477.959 6.393 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(Cl)cc2)cc1 10831682 HMDKYVXSFMDACB-UHFFFAOYSA-O 464.825 6.548 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)c3cnn(C(C)C)c3n2)cc1 11679256 GUEOZFZTACVKJR-SFHVURJKSA-N 467.529 5.043 30 20 JKED CC(=O)N(c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1)c1c(C)cc(C)cc1Cl 22122544 KMBMLVQCUWOYSF-UHFFFAOYSA-N 483.062 6.454 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22728612 BAUNCKKTCKZVEZ-UHFFFAOYSA-O 479.669 7.048 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1cc(F)ccc1F 22730063 MSXHEBXKLGFMOD-UHFFFAOYSA-O 459.541 5.894 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22799683 HCEHHEMZJXNQSF-UHFFFAOYSA-O 492.821 6.142 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22800333 LFSVNJHDHNAZCV-UHFFFAOYSA-O 476.062 7.091 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 23518743 JNTFPSMQBBOCPH-IAGOWNOFSA-N 480.565 5.286 30 20 JKED O=C1CCc2cc(F)c(NC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C(F)(F)F)cc2N1 24447603 MIGNKBPCZITCBY-UHFFFAOYSA-N 486.347 5.186 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)n1 25606715 QWEFPCKJJIIJLB-UHFFFAOYSA-N 492.935 6.191 30 20 JKED C[C@H](OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1nnc(-c2cccs2)o1 26462355 QBCVTKHZBVWTDX-HNNXBMFYSA-N 490.566 5.319 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2sc3c(c2c1=O)CCC3 28682076 YBMSYFPQBOQMEE-NSHDSACASA-N 463.987 5.045 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 32537964 AXAOCKFMNFKDJJ-UHFFFAOYSA-N 462.021 5.116 30 20 JKED C=CCn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccncc1 33473765 KGRZYFGPPDGEFG-XMMPIXPASA-N 451.555 5.724 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(-c2ccc(F)cc2)o1 41647624 OUFNEIVWPKJZLD-UHFFFAOYSA-N 456.930 5.783 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 108372817 FELBSHOGSMEJDJ-QFIPXVFZSA-N 487.987 5.476 30 20 JKED CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(OCc2ccccc2C#N)c1 108843992 OSXPEIHWUJNWGX-UHFFFAOYSA-N 481.474 5.257 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c2ccccc21 255937711 WFMMFICJKNOXMM-KRWDZBQOSA-N 477.615 5.029 30 20 JKED Cc1nnc(Sc2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c(C)c2)s1 483533872 YMYGOVVWQCNKJI-UHFFFAOYSA-N 458.568 6.222 30 20 JKED N#Cc1ccsc1C(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 497990430 HCOLBUZJGNBASL-MRXNPFEDSA-N 463.506 5.588 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 499093359 AAOKFKVOZXFOSD-UHFFFAOYSA-N 454.555 5.638 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(CCC#N)Cc2cccnc2)s1 500077224 YGARRXOVVCUKSN-UHFFFAOYSA-N 483.597 5.442 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 500774583 XDRUSBSUXAUPHA-UHFFFAOYSA-N 457.574 5.320 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCNC(=O)c1ccc2ccccc2c1 501148136 FMVKHYSCYWGFIP-UHFFFAOYSA-N 465.528 5.512 30 20 JKED C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nnc1-c1ccc(Br)cc1 501209505 MWTCPOZOBNEMFM-UHFFFAOYSA-N 494.374 5.581 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 502677993 HNUYACNSCQSDAK-UHFFFAOYSA-N 472.314 5.654 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 504796052 JWBFXBZAQKWMBT-MUUNZHRXSA-N 464.569 5.190 30 20 JKED N#Cc1ccc(CCC(=O)N[C@H](c2ccc(F)cc2)c2ccccc2I)cc1 505009480 SXEQLBQGUVELNT-HSZRJFAPSA-N 484.312 5.140 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c2cc(-c3ccccc3)sc2n1 506616550 MANPSRIXWMKHJM-UHFFFAOYSA-N 482.594 5.455 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c([N+](=O)[O-])cc1OC(F)F 507894198 OHEQPUOWACSFGA-UHFFFAOYSA-N 455.373 5.121 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 512844334 MWGJZAYOAFJMKU-UHFFFAOYSA-N 480.421 6.255 30 20 JKED COc1cc(OC)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Cl 513952743 DMUSWGLQZPMCNT-UHFFFAOYSA-N 453.901 5.602 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 515683467 BLNDRHXTKMEYKZ-UHFFFAOYSA-N 474.592 5.425 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 516792926 DTYOJHBRVJYFPQ-FQEVSTJZSA-N 470.554 5.279 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1 517419742 BFWJUDHMQMXSSR-UHFFFAOYSA-N 476.577 5.006 30 20 JKED CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@@H](C)c1cc2ccccc2o1 517466832 WQWWLPNIVDHEBX-HNNXBMFYSA-N 489.519 6.006 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 517724827 VHRWHHXSANDSMX-UHFFFAOYSA-N 463.559 5.444 30 20 JKED COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 518742989 HJVRVXZDLIQYNZ-KRWDZBQOSA-N 481.599 5.143 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CC1 518931892 QRGZYBBFUDDZSZ-UHFFFAOYSA-N 453.329 5.015 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2C)nnc1-c1ccc(Cl)cc1 519050547 XTELKZLXOANQEX-KRWDZBQOSA-N 498.052 5.352 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C 519431926 WUMNIUHOHLWQOP-CYBMUJFWSA-N 453.486 5.126 30 20 JKED CCOc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 519878241 BIPXRFNQSLCVPO-GAJHUEQPSA-N 461.949 5.210 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)c2)cc1 520530986 ZWABLWDYOGMOMO-UHFFFAOYSA-N 453.523 5.594 30 20 JKED C[C@@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2 521691059 NUTVYTLAVWDZKA-NVXWUHKLSA-N 457.571 5.025 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2)cc1 522570145 FWYXYDOKHDITOX-UHFFFAOYSA-N 463.493 5.628 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1Cl 523898874 AQENPZLLJVLUIZ-DEOSSOPVSA-N 490.966 6.017 30 20 JKED C=C(C)COc1cccc(NC(=O)N2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)c1 524305533 STUBZJTYNADIEI-UHFFFAOYSA-N 478.618 5.123 30 20 JKED O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590844667 UXJDYJURLKQPBJ-ZIAGYGMSSA-N 493.427 5.405 30 20 JKED O=C(NCc1cc(F)ccc1F)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 591485393 PPWYNCHEGHSRCE-UHFFFAOYSA-N 458.305 5.169 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccco1 594527998 IAOQSRSZHPYOMU-XWSJACJDSA-N 493.658 5.882 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2n[nH]c(/C=C/c3ccccc3)n2)n(Cc2ccc(F)cc2)c1C 598953245 ODCUXBKZFHHRRU-JLHYYAGUSA-N 486.576 5.183 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(Br)cc1Br 603645442 YRVIVMWFHCLJQG-UHFFFAOYSA-N 469.202 5.138 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OCc1ccncc1 603829189 MHTOCEIJJDHRCD-IBGZPJMESA-N 495.539 5.611 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)C4CCCC4)c3)cn2)c1 604088345 RGOMSCOEPSAIIW-UHFFFAOYSA-N 455.518 5.196 30 20 JKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604160104 VLTYNRLFZVCVDG-RUZDIDTESA-N 467.956 5.746 30 20 JKED CN(C(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1)C1CCCCC1 604439936 RMIQIYZHYNZFJR-UHFFFAOYSA-N 483.637 6.508 30 20 JKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 604554592 LXIUNKRDBYVHLG-LJQANCHMSA-N 453.546 5.193 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@@H](C)c1cc2ccccc2o1 608796386 STFAYDUELPLECZ-SFHVURJKSA-N 483.524 5.654 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 608940450 FFNJDRBAXNFNNY-UHFFFAOYSA-N 468.557 5.253 30 20 JKED CCCCc1ccc([C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 608991513 GVCHJULKENNBEG-SANMLTNESA-N 473.646 5.415 30 20 JKED CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609080194 RZTRWXMXJRHEHC-MRXNPFEDSA-N 462.937 5.632 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCCSc3ccc(F)cc3)cc2Cl)c1 609083760 ICYZSMDKINVJRE-UHFFFAOYSA-N 497.979 5.167 30 20 JKED Cc1sc2ncnc(SCC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2c1C 609171832 FKYZGRCHIXRYAA-OAQYLSRUSA-N 474.611 5.360 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 609326668 JLOOLYFDSBDGJL-UHFFFAOYSA-N 461.875 5.110 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 609358656 LUZVBZLFNGRYGL-UHFFFAOYSA-N 458.946 5.782 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 609439164 FIGHQQZHDGPLRD-QRWLVFNGSA-N 477.552 5.942 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 612612244 PGIUOYIJUVWBKI-UHFFFAOYSA-N 493.423 5.373 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)n2)cc1 613318247 SJHRCYAHOINODQ-OAQYLSRUSA-N 469.541 6.308 30 20 JKED C=CCn1c(SCc2ccc(F)c(Br)c2)nnc1[C@H]1COc2ccccc2O1 614382922 SIYGGURKROBHTN-GOSISDBHSA-N 462.344 5.171 30 20 JKED O=C(Nc1ccc(Br)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618539188 WGCMDGMUYHHYEI-YUMQZZPRSA-N 487.160 6.063 30 20 JKED O=C(NCc1ccccc1F)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 618543430 RXOAWVXMMYWRCX-HOTGVXAUSA-N 491.407 5.350 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc(Cl)cc3)s2)c(OC)c1 725850023 DEYKTGLBNZUJKD-UHFFFAOYSA-N 456.980 5.515 30 20 JKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1-c1ccccc1Br 726321362 IDLSXAWHMJVHAD-CQSZACIVSA-N 474.717 5.208 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CC[C@@H](C)OC 726394599 WCIVFOMGJDGGCN-VFNWGFHPSA-N 490.025 5.042 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(C)C)C2=O)cc1 726406056 HUDYFQFCVNLDQW-FQEVSTJZSA-N 454.983 5.136 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1Cl 726407236 PWPYATWCEAPMDG-KRWDZBQOSA-N 493.803 5.641 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC(C)C)cc2)n1 726416082 RTBXAVUGDVAAAC-DEOSSOPVSA-N 488.613 5.338 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N\[C@@H](C)c2cccs2)c1 726421521 QVWSXARATFMQML-QGPWZHNMSA-N 497.617 5.486 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC(F)F 726626962 MZFFGRMIFJPCIX-FRKPEAEDSA-N 452.891 5.227 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2ccc(OCc3ccccc3)cc2)CC1 727516106 RTRGXEZHQSEFIS-UHFFFAOYSA-N 483.524 5.345 30 20 JKED CC(C)CC(=O)N[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 727632172 RXGSQTKBWDRYBW-OPAMFIHVSA-N 453.514 5.168 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2Cl)cc1 728006138 SKTWAYFHGOHVSY-UHFFFAOYSA-N 470.960 5.905 30 20 JKED COC1CCN(c2ccc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)cc2C(F)(F)F)CC1 728038528 KPGCPGPKNVJQDP-UHFFFAOYSA-N 490.551 5.439 30 20 JKED CN(C[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1)C(=O)OC(C)(C)C 728738922 VLBVJHHYXXHYOD-GBXCKJPGSA-N 462.594 5.453 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCCCC#N)cc1 728777772 OFICRASWVZJYLJ-FQEVSTJZSA-N 488.535 5.668 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2scnc2C)C1=O 729143366 QFWFWCXYEABFOG-NRFANRHFSA-N 494.642 5.237 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2scnc2C)C1=O 729146779 YDSPSDSZRPOEGZ-NRFANRHFSA-N 494.642 5.237 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNCCCOc1ccccc1 729147479 DMSFZIJGADDJCK-UHFFFAOYSA-N 464.525 5.038 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1OC 729427533 MAQMSOOAWASREF-PXDATVDWSA-N 466.990 5.561 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)c(C(F)(F)F)c1 729570642 DGFYETZJMFGUIK-UHFFFAOYSA-N 489.498 5.278 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 729571159 QAJSCWWVBPVALB-RUZDIDTESA-N 490.604 5.994 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ncccc2C)c1 729634519 NKELZVVUQMIPIT-DEOSSOPVSA-N 483.597 5.039 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(OC)cc1 729634592 OTKNRVCONMTSCT-QFIPXVFZSA-N 469.607 5.100 30 20 JKED COc1ccc([C@@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](C)n2cccn2)cc1 729802053 FDPLLGRFBWYLIP-BVZFJXPGSA-N 457.486 5.095 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(C)c1 730506604 ZCKUMKPJXZMBEV-LJQANCHMSA-N 493.601 5.307 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944226 UCGLJAJSQRSFJV-MBSDFSHPSA-N 458.587 5.366 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)s1 731306070 KHTKBUHZKKMSOA-KKSFZXQISA-N 465.600 5.484 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCOC1CCCC1 731308169 JQDGBANDISCUDX-XMMPIXPASA-N 495.645 5.264 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2Cl)c1 731308842 QSUAXYHTZISHPH-JOCHJYFZSA-N 495.988 5.215 30 20 JKED Cc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1C(=O)NCCc1ccccc1 745071494 TXZGADJAJFDJJO-UHFFFAOYSA-N 479.536 5.264 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cc(C)cc(C)c1 746697773 LUDORKIBNSVPLL-QFIPXVFZSA-N 489.588 5.359 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCOC(C)(C)C)cc1F 746698252 YBPIBGWXLDGUOX-FQEVSTJZSA-N 493.551 5.188 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)cc1 747601001 SHQCGTTUNGOCTR-FQEVSTJZSA-N 468.579 5.005 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c1 747603524 SRRTYFLWTWVIKL-HXUWFJFHSA-N 468.579 5.005 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 748583869 JUSBTPCVPVKNIP-MDZDMXLPSA-N 475.854 5.706 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)c2)cc1 751091068 QXFYQMBYNPXTLP-UHFFFAOYSA-N 466.291 5.255 30 20 JKED C=CCN(C(=O)/C=C\c1ccc(Cl)s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 822221670 ACWMCCDAIGSXIU-XFFZJAGNSA-N 465.021 5.161 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 838541852 NNXNEBZZJHIQJY-VFNWGFHPSA-N 466.513 5.081 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 915592689 SJIHABBONKDGBS-SFHVURJKSA-N 493.560 5.249 30 20 JKED Cc1cc(C=Nn2c(S)nnc2COc2c(C)cccc2C)cc(C)c1OCc1ccccn1 915957566 NAUPWEAZLQMEOP-UHFFFAOYSA-N 473.602 5.236 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916127582 NCENVXYSALDVQY-POHAHGRESA-N 491.412 5.906 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C[C@H]3CCCO3)C2=O)c1 916204309 BWAPHBLMNJGFBL-DYESRHJHSA-N 490.000 5.235 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@H]2CCCO2)c1 916204483 GNTKYEKBXDMZKS-NFBKMPQASA-N 465.619 5.060 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O)Nc1ccc2ccccc2c1 916208644 NPGXBOCTDYBPMA-DEOSSOPVSA-N 484.556 5.534 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916903711 RANWEAHXEYWMAZ-KRWDZBQOSA-N 456.386 5.810 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1nccn1-c1cc(C)ccc1C 916905939 FTLZCYSFFKJGHG-OAQYLSRUSA-N 460.603 5.054 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 916925580 MLNFURVAKVXLMD-OAQYLSRUSA-N 481.556 5.348 30 20 JKED N#C[C@H](C(=O)CCSc1ccccc1Br)C(=O)Nc1ccc(F)c(Cl)c1 916938774 NOGIOMTYBCAHBZ-GFCCVEGCSA-N 455.736 5.071 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 916955577 RTVBRDUEDUXEKN-KOSHJBKYSA-N 454.530 5.805 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2ccc(C)cc2C)cs1 917531659 FXLGARNDDQVDQR-UHFFFAOYSA-N 458.012 5.418 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1O[C@H](C)C(=O)N(C)C 917605407 RPPHEASBVBJYHA-XSLBHYSZSA-N 494.569 5.474 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 918297612 LHIFBLWBMACSMA-FYYLOGMGSA-N 466.566 5.254 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 918476598 UTFKBYVOQZKIKY-RUZDIDTESA-N 485.971 5.055 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 919666299 JPWROODIZMNSTD-LJQANCHMSA-N 475.372 5.352 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc2ccccc2s1 920106292 MMVUGKMISNMWFC-LJQANCHMSA-N 451.507 5.714 30 20 JKED N#C[C@H](C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111886 ZYOYQIMQZNZPMX-GOSISDBHSA-N 475.372 6.181 30 20 JKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 920113003 ODJCETFLHIDPRL-CQSZACIVSA-N 451.798 6.071 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCC#Cc1ccccc1 920117861 LZHFVYIYFARCBR-QGZVFWFLSA-N 460.580 5.281 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Sc3ccccc3)c3ccccc3)n2)cc1 920142689 MDDGJUXHQMLHQE-WIOPSUGQSA-N 456.592 6.529 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2c(C)noc2C)c1 920356661 RHZDYSXOSBDYKZ-QHCPKHFHSA-N 492.601 5.023 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 920805995 HQAIZVFGCRGFHU-BZUAXINKSA-N 477.561 6.624 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(-n3ccnc3)cc2)C1=O)Nc1ccccc1 921138790 CQGSOWQBYGTYLR-XMMPIXPASA-N 499.571 5.172 30 20 JKED C[C@@H](OC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 923551009 RMPHDFHXAGQXBW-BIPIGHIPSA-N 487.730 5.638 30 20 JKED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1780086382 XVDQQQKZMROEJK-ZEQKJWHPSA-N 492.582 5.457 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)CCC2)cc1 1786372054 WKONUKIQOGSCIU-LJQANCHMSA-N 473.573 5.029 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C(C)(C)C(C)(F)F)cc2)CCC1 1786452378 MTWQGOKTEYXLOY-LJQANCHMSA-N 493.595 5.271 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccco5)no4)cc3)CCC2)c1 1788419933 IVSQVBIWELKOIJ-UHFFFAOYSA-N 470.460 5.007 30 20 JKED CN(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)c2ccccc12 1788990768 DUBZBAAZWSTLHY-UHFFFAOYSA-N 466.585 5.347 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4cnn5C)cc3)CCC2)c1 1789088277 MJAYKHDJVXXMBQ-IBGZPJMESA-N 477.568 5.262 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3C)cc2)CCC1 1790629460 FVKQSFFZWSGIHD-UHFFFAOYSA-N 499.405 5.015 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)cc2)CCC1 1791198876 OVIKFGZVEVZJMN-UHFFFAOYSA-N 452.982 5.098 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccc(Cl)cn4c3C)CCC2)cc1 1791254822 YSPOOWJPYNOPBO-MRXNPFEDSA-N 450.970 5.256 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)nn4C)CCC3)cc2)c1 1792124764 HGBHGPBGPTUJNZ-MRXNPFEDSA-N 495.505 5.127 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(NC(C)=O)ccc3Cl)cc2)CCC1 1792193467 XZQLEJRHUFEZTD-UHFFFAOYSA-N 483.996 5.029 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC3CCC3)cc2)CCC1 1792271423 OENFTJRVINTADS-QHCPKHFHSA-N 481.637 5.008 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(-c2c(F)cccc2F)n1 1794735533 HASQZXWPGRDGFQ-REPLKXPHSA-N 483.534 5.186 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ccccc12 1797277235 GQGYDTRNYQMMBI-SNJCGAMXSA-N 453.586 5.366 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800739201 AQGSITFLMXAIKW-BJWYYQGGSA-N 499.411 5.063 30 20 JKED Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)c(C(F)(F)F)o1 1800740359 RMNMZXZLVUVCJN-BJWYYQGGSA-N 499.411 5.063 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)cnc2s1 1801160540 QWGGZFIWUWKLAV-RDGPPVDQSA-N 488.451 5.079 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1801639708 WBHZVGANMNSNAJ-YSTOQKLRSA-N 452.595 5.104 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1802492644 RNEFIQXBSDUKQS-NVQXNPDNSA-N 498.067 5.592 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(Cl)ccnc4c2)C3)c1 1803683938 CIWIWFVONFLGTK-ZIPUMODLSA-N 472.976 5.081 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1804175604 GVTYBIOVUPDKHF-FTBPSBKWSA-N 486.081 5.100 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3CSc3ccccc3)CC2)C1 1806028032 UQEKHSMBENDAPW-QHCPKHFHSA-N 492.685 5.415 30 20 JKED Cc1scc(C(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)cc(C(F)(F)F)c4)CC3)C2)c1C 1808787356 VFQWNAZJJNEHGO-UHFFFAOYSA-N 489.563 5.414 30 20 JKED Cc1ccc(S/C=C/C(=O)NC[C@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)[C@H]2c2cccnc2)cc1 1810243330 FCUXROZXRHYLOW-GPACYAPASA-N 496.636 5.196 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1810502694 KQOKUHPLTDPKPA-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1810503077 NXSBWRQKNUTJEG-JTSKRJEESA-N 492.422 5.840 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5ccoc5s4)C3)CC2)c1 1810512406 KOHNJJLVNFUETK-SFHVURJKSA-N 461.587 5.280 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)c1 1811723081 WKOJXVUIFAEMJL-HXOBKFHXSA-N 490.585 5.002 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)[C@@H]2c2cccnc2)c1 1811796391 PEHGCTOBGIIYDK-JYFHCDHNSA-N 499.014 5.048 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4s3)[C@H]2c2cccnc2)c1 1811937668 RIWBMRJPFVEFLU-FNZWTVRRSA-N 498.583 5.249 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)[C@H]2c2cccnc2)c1 1811945293 YBVHBCQKIHATAP-KGPYPHOUSA-N 498.602 5.160 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(O)c3cc2OC)[C@H]1c1cccnc1 1812193838 VYFSMFILHIEDQP-SXDGJLEOSA-N 499.611 5.037 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)[nH]n1 1814827075 MJUWNIXAKGOXTC-DEOSSOPVSA-N 459.594 5.284 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCc3ccccc3F)n[nH]2)c1 1814850781 HPMQNHRWZHRUDY-VWLOTQADSA-N 487.579 5.068 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1815206951 HGGZZEAOBJWJIT-XMMPIXPASA-N 487.604 5.069 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1815653961 OGZTVEOLXRAITJ-JOCHJYFZSA-N 475.618 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)n[nH]1 1816223698 MPHBDDZTFUSIHI-AUSIDOKSSA-N 494.546 5.152 30 20 JKED Cc1ccsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1816350756 FCHYECBIACOTKN-HXUWFJFHSA-N 477.590 5.058 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)[nH]n2)CC1 1817108995 CHGQPMNKENPYJI-DEOSSOPVSA-N 490.567 5.235 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2ccccc2F)[nH]n1 1819303163 QUFNAJIKGLZKEG-OFNKIYASSA-N 452.574 5.332 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1819384940 GARFDTMYFKTMGK-NRFANRHFSA-N 493.709 5.376 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819962970 FAJHBPCZMJXDPZ-IUODEOHRSA-N 461.440 5.038 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)n[nH]2)CCC1 1820150335 HCFJFMVTWARWIP-QHCPKHFHSA-N 492.583 5.329 30 20 JKED CSc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1O 1820196703 SUFLITPZOXIBSJ-KKSFZXQISA-N 489.601 5.084 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820231934 ZGRNOBNQJDTOJA-LAUBAEHRSA-N 466.969 5.884 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)[nH]n2)n[nH]1 1820274865 MHGLXVXDFCNEDF-QFIPXVFZSA-N 460.582 5.098 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)c(F)c1 1821025286 IXOLQYLKRRQVAI-HSZRJFAPSA-N 489.551 5.136 30 20 JKED Cc1cc(F)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)c1 1821064187 UYRHCXNFVIAQFM-QHCPKHFHSA-N 489.551 5.136 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3ccc(C#N)cc23)n[nH]1 1821383267 ZJMLSUZOJLMALD-JOCHJYFZSA-N 489.624 5.460 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053422 XSTSVZMCOGKSOC-YKSBVNFPSA-N 495.714 5.353 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1824502280 DYOVWFSETZQEEJ-RUZDIDTESA-N 484.040 5.104 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826782464 WTCGZTDDKLDSAD-VIUUMSQESA-N 475.677 5.178 30 20 JKED O=C(CCCC(F)(F)F)N[C@H]1CCc2nc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)sc2C1 1827860215 SVXUIEMLAZCWKT-NSHDSACASA-N 497.436 5.259 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1 1827923993 DZFVOZNIMTXOPS-CVDCTZTESA-N 451.636 5.256 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)oc2ccccc12 1828128163 OCGHHSSPCJHXDO-HSZRJFAPSA-N 490.003 5.813 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828828873 UBNVGWBAKVXKAO-GBXCKJPGSA-N 468.041 5.823 30 20 JKED Cc1cc2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c2cc1C 1828853261 ILBBLUMMTKWIDO-JIPXPUAJSA-N 497.643 5.354 30 20 JKED COc1cc(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828906931 QFYRKRLLABLDAC-AREMUKBSSA-N 482.741 5.288 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)nc2)CC1)c1ccccc1 1829029417 AEWHCACYYGEPOX-URLMMPGGSA-N 485.672 5.140 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829756757 PTCZQOZUMNHQAI-QFIPXVFZSA-N 490.982 5.175 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)c1 1829954949 HLOSIMRXTZDANO-XMMPIXPASA-N 483.534 5.053 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830628321 FWGQXIALBUWNQR-JOCHJYFZSA-N 487.522 5.220 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCCC3)CC2)cc(C(F)(F)F)c1 1830754597 CMEUOOYYBDHMOS-HSZRJFAPSA-N 475.555 5.391 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c1 1830973890 RGPIGPGJAOHZMN-BCHFMIIMSA-N 486.641 5.470 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1831221981 JTTDFOVYJOLJDT-ILBGXUMGSA-N 476.020 5.175 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)c(C#N)c1 1831566032 RASWBPKHEVBQJN-MBEZDYHHSA-N 493.692 5.191 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)CC1 1831850922 SSMMBGGQAAHFAD-DEOSSOPVSA-N 497.561 5.203 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)CC1 1832027971 GWMSYQYLAWCKQP-AREMUKBSSA-N 495.067 5.465 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1832029025 QRYGSIGGIWSRRF-QHCPKHFHSA-N 462.556 5.061 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCOc3ccc(F)cc3)CC2)c1 1832629453 RAFFYSSOSJELFF-JIPXPUAJSA-N 491.607 5.155 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(F)CCCC=C3F)CC2)c1 1832635737 QEYDHEHMTSLLGQ-HEXNQTKTSA-N 469.576 5.293 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3C#N)CC2)CC1 1832795477 NSHZGBKBMPBCSP-RUZDIDTESA-N 479.665 5.163 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832830635 ZABDTQBLDAPDMO-FQEVSTJZSA-N 454.920 5.006 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ncccc23)CC1 1832863591 YZZKUQJYLCBMPN-XMMPIXPASA-N 464.654 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4sccc4s3)CC2)CC1 1835816061 QYFHTUGYWGCETR-UHFFFAOYSA-N 473.708 5.140 30 20 JKED C#CC(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCCCc3ccccc3)CC2)CC1 1838744662 ODVNNKCNUJAXQB-UHFFFAOYSA-N 480.693 5.372 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC23CN(C(=O)c2cccc([C@H](C)C#N)c2)C3)c1 1845530495 JXTHHVYJSYJIAW-GOSISDBHSA-N 494.433 5.330 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 1845569549 ILTKTDKDIQZULG-QFIPXVFZSA-N 450.529 5.217 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760926 MXAPRVHYEGSLOC-UHFFFAOYSA-O 456.006 6.503 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)cc1F 11083131 OVNFQRIZIOKPCE-UHFFFAOYSA-O 450.603 5.662 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nc2scc(-c3cccs3)c2c1=O 11382451 BFBNUJWFWRWKTC-CQSZACIVSA-N 459.662 5.302 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3nc(SC)ncc3Cl)c2C#N)C1 11572805 HUINQKGITPWXLI-LBPRGKRZSA-N 493.054 5.122 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccoc1C 16562018 JQOGHQGPBHVQFP-JOCHJYFZSA-N 460.559 5.513 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)=O)nnc1-c1ccc(Br)cc1 16832732 AGCPVAAGCCQARF-HNNXBMFYSA-N 485.407 5.216 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 18083315 XZNJYXQYNZQUDL-UHFFFAOYSA-N 467.900 5.103 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)s3)o2)nnc1-c1ccc(Cl)cc1 18972603 UTNKUPQINZSVLV-UHFFFAOYSA-N 494.827 5.951 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1-c1ccc(Cl)cc1 22137355 JCPWYHMEVGMIPF-KRWDZBQOSA-N 496.036 5.420 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 23501045 FBAJYHCYVCPOCO-HNNXBMFYSA-N 475.064 6.053 30 20 JKED C=CCn1c(SCC(=O)N2CCC(CCc3ccc(C)cc3)CC2)nnc1-c1ccoc1C 23519123 REPQLRHTSDGIEW-UHFFFAOYSA-N 464.635 5.304 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1C 28793435 IOXUWOIEVHEFQV-UHFFFAOYSA-O 476.666 6.087 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 32177012 IUAOLOSOZMAUEQ-ROUUACIJSA-N 470.413 5.777 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccoc1C 32324876 MSGUNPWMMBRVES-GOSISDBHSA-N 464.513 5.807 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)CC1 46691661 KGPASBMZFPTGHL-UHFFFAOYSA-N 481.484 5.063 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2F)c1 72080637 ZDEQXHYLFMGPQQ-UHFFFAOYSA-N 458.942 5.137 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H](CC)c1ccccc1 481161722 DGEHWRAAAPRUCK-RUZDIDTESA-N 473.548 5.605 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nc2ccccc21 481573821 NVLGYKXVNJWAAA-RUZDIDTESA-N 483.547 6.015 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)s2)cc1 487470727 IPUJYGRXKVRXHI-DEOSSOPVSA-N 466.566 5.105 30 20 JKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 495485682 XHSZKDCLCMNZCG-UHFFFAOYSA-N 497.168 5.459 30 20 JKED CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 498008942 WULPTVHBWUYDNS-SIKLNZKXSA-N 452.986 5.156 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccco2)c1 499406392 ILJRIXOTTBAMCX-QGZVFWFLSA-N 458.967 5.148 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nc2sc3c(c2c1=O)CCCC3 501552934 RBGVWAGVXWGKOL-UHFFFAOYSA-N 492.670 5.179 30 20 JKED N#Cc1cn(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)c2ccc(Cl)cc2c1=O 502832236 GYAFBEZWJIDVPT-UHFFFAOYSA-N 459.336 5.626 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCc3ccc(OC4CCCCC4)cc3)c2)cc1 507145322 RPUQFRNWXSSCMU-UHFFFAOYSA-N 497.595 5.298 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1 510748419 PIZVDKBNVJXHOP-DEOSSOPVSA-N 467.013 5.113 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cccc(Br)c1 510857580 OWZVMAOQNUXTSY-UHFFFAOYSA-N 450.336 6.085 30 20 JKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1 514578275 LJXAHHDIZQWMRJ-UHFFFAOYSA-N 456.505 5.029 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1cccc(C)c1 514955065 FIQIRZYTAFTWMB-AWEZNQCLSA-N 453.568 5.308 30 20 JKED Cc1cccc(Oc2ncccc2NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1C 515796156 AKEJDCYGUZRRKW-UHFFFAOYSA-N 455.562 5.102 30 20 JKED CN(CCCCc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517176349 ZEDFZXNHODYYLP-DEOSSOPVSA-N 459.977 5.415 30 20 JKED O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 519160035 ZUCXLPMRAIQQQW-MRXNPFEDSA-N 464.337 5.233 30 20 JKED Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1 520196821 FKFJIXBOUFBFLF-FQEVSTJZSA-N 472.614 5.641 30 20 JKED CN(CCc1cccc2ccccc12)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 523231113 DUDVDNKFZRWVMM-UHFFFAOYSA-N 477.564 5.124 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)c(Cl)c3)o2)cc1 524379971 GESSAWISHKRTFZ-UHFFFAOYSA-N 461.861 5.481 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)o2)cc1 524415745 OXVUKPCIYUCUQG-UHFFFAOYSA-N 451.454 5.308 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc(S(=O)(=O)N2CCC(C)CC2)c1C 548946856 ROPSBTSMDLBZPT-JOCHJYFZSA-N 493.654 5.338 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 590334828 DDPTYIBZUAHWJH-UHFFFAOYSA-N 470.776 5.266 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(I)cc2)cc1 603465810 BFAIPJGTPZLTQQ-UHFFFAOYSA-N 470.335 5.707 30 20 JKED COc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604476462 GHEUQQPCDFFNHE-MHECFPHRSA-N 475.976 5.080 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N(CCOC)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1 604534141 SFAXYQONYXHCGH-INIZCTEOSA-N 465.541 6.148 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1 608803715 QNKFVLQWHRACFN-UHFFFAOYSA-N 456.527 5.002 30 20 JKED N#Cc1cccc(S(=O)(=O)Nc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3s2)c1 608929270 RYUWWSTUZUZNPH-UHFFFAOYSA-N 466.491 5.111 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(F)c(C#N)c4)sc3[nH]2)c1 609110804 ZYPXJYJOABYPPI-UHFFFAOYSA-N 478.574 5.465 30 20 JKED COc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)c1 609370830 AMVSXQMKHZOPSA-CQSZACIVSA-N 471.633 5.415 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609402704 LCXMTIVPNHXZJI-AWEZNQCLSA-N 450.391 5.232 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 611828910 AIMRZUAMPNUDNU-GHMZBOCLSA-N 481.387 5.279 30 20 JKED CCOc1cc(CN(C)C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 612805799 QOKUNAQVMTYZPQ-CHWSQXEVSA-N 492.407 5.738 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nc2ccccc2c1=O 614509142 LHTJMXFZAJPHBE-UHFFFAOYSA-N 462.600 5.324 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)nnc1-c1ccc(Br)cc1 619154339 VTGPSAKFCUCZIM-DNVCBOLYSA-N 499.434 5.014 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1OCC 619760419 AGJDLEJJHGMJMV-NRFANRHFSA-N 490.829 5.679 30 20 JKED CCN(C[C@H]1CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1)CC(F)(F)F 622410997 YCDFKPBEQIBPBR-OAHLLOKOSA-N 476.436 5.858 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3cccc(Br)c3)o2)cc1OC 725804742 CBGFLSOBPOIUPG-UHFFFAOYSA-N 485.363 5.156 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 726396058 CSAOSLHXKDRAGI-JXFKEZNVSA-N 493.551 5.399 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 726414800 FAWRFBKJPXLGSN-YADARESESA-N 488.613 5.590 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S/C2=N/[C@H](C)c2cccs2)n1 726422186 VJCGFKSVOTVSIJ-IBQREQKISA-N 494.642 5.050 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)cn2)cc1 728115991 DCMMVQOMYBZNOH-OAQYLSRUSA-N 452.436 6.133 30 20 JKED Cc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(C)n1-c1ccc(C#N)cc1 728266095 OHRILBBYDZDMML-UHFFFAOYSA-N 450.546 5.203 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)cc1 729146077 PGGRLFSBHYWYSM-HXUWFJFHSA-N 498.605 5.150 30 20 JKED COc1ccc(-n2c(-c3ccccc3OC)nn(CN(CCC#N)CC(C)(C)C)c2=S)cc1 729468220 QNRGEQGCKRQGPX-UHFFFAOYSA-N 465.623 5.307 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730461127 LCHIAXWENFVJET-LJQANCHMSA-N 472.492 5.090 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC)c(Cl)c3)N(C3CCC3)C2=O)cc1 730461295 BBKNMXYRJLHYCN-NRFANRHFSA-N 488.009 5.260 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1CC 730526920 XEPDUZXKNSANRV-IBGZPJMESA-N 461.509 5.414 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1cc(Cl)cc(Cl)c1 730686098 DCJVBLLUKYIJJA-AWEZNQCLSA-N 486.302 5.902 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 730686739 IOGWLIUIHNHKNO-SUMWQHHRSA-N 499.441 5.005 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2cocn2)C1=O 730710888 ULANNEFUMWDBNH-HSZRJFAPSA-N 492.601 5.241 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2cc(C)sc2C)c1 730712502 MKNYQFLQTIGAPM-UZLBHIALSA-N 479.631 5.185 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1C 730942137 GEDIDGJYJRZFBQ-RDPSFJRHSA-N 472.614 5.098 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12 731064190 UMDCTKCEJUTMON-KRWDZBQOSA-N 458.539 5.705 30 20 JKED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 731278226 NMPNJECWXSGUPR-QSPIDWHTSA-N 482.650 5.112 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(O)c1 731306326 VGRWYEOITCYUGU-OAQYLSRUSA-N 483.952 5.345 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cc(Cl)cc(Cl)c1 731307134 CNLLLAICZUDHDR-LJQANCHMSA-N 496.416 5.086 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2cccs2)cc1F 731308933 OMHYBPCVKXUKHK-NRFANRHFSA-N 483.590 5.104 30 20 JKED CC[C@H](OC)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 744641465 NTTYFHGXIWVJQJ-WSCHBXBGSA-N 468.575 5.206 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744993252 CJVJQLRPJFVCPI-FQEVSTJZSA-N 499.423 5.342 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2cc(Br)ccc2F)c1=S 746023322 RBLXKQHYVMAKMM-UHFFFAOYSA-N 477.403 5.267 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CC(F)(F)F)C2=O)c1 799210720 CUHUHIAWXFUULJ-IBGZPJMESA-N 463.525 5.443 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c([N+](=O)[O-])c1 837770148 HBYSYDAITSVUBR-HXUWFJFHSA-N 498.561 5.264 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 838094951 UURVHZRZZQHCIQ-YADARESESA-N 488.613 5.510 30 20 JKED N#Cc1cc(Br)ccc1N1CC(c2nc(-c3ccsc3C(F)(F)F)no2)C1 904923191 QCAXLABYXHSEAJ-UHFFFAOYSA-N 455.259 5.055 30 20 JKED CC(C)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C#N)cc1 914510666 SJFNBPQDTPLZPL-UHFFFAOYSA-N 474.026 5.079 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)/C=C/c4ccccc4)cc3)cn2)c1 915198446 KQNJNRZRDWYUPS-FOCLMDBBSA-N 496.548 5.410 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(Cl)cc2)ccc1OCCn1c([N+](=O)[O-])cnc1C 916135168 CPRVEXMIQTZGKS-WMZJFQQLSA-N 455.898 5.127 30 20 JKED CC(C)c1ccccc1-n1c(SCC(=O)[C@H](C#N)c2ccccc2)nnc1-c1cccnc1 916622719 ITVMCRLWUICZMT-JOCHJYFZSA-N 453.571 5.421 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(N)nc(Nc2ccccc2)n1 916880867 QLXMBHQLIIEHOQ-MWWKQMNYSA-N 492.383 5.125 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2C#N)cc1 916906004 GLBOONPWVOUMGW-VWLOTQADSA-N 451.526 5.223 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 916928262 IOXDPNPIPOYSNJ-YZUOEBHYSA-N 495.206 6.392 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 916953618 VLXYDUPXDZAYBY-UPVQGACJSA-N 464.974 5.519 30 20 JKED CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976077 IZZZHXMQXDLWJP-UXHICEINSA-N 484.984 5.447 30 20 JKED N#C[C@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 917039852 FVPVLFVVHJOZFM-XXBNENTESA-N 481.955 6.784 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 917505593 OKZVIFNLGDJBNO-MRXNPFEDSA-N 454.935 5.396 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 917624296 AYPQJHLKJBZARY-UHFFFAOYSA-N 471.941 5.269 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2C#N)cc1 917702337 GITHCNJUZSJOKL-RUZDIDTESA-N 498.608 5.344 30 20 JKED CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C(C)C)c1 918136397 RUXQNGFWLWSYSQ-XMMPIXPASA-N 471.586 5.327 30 20 JKED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)cc1 918366815 NBADDHKLLNEMSF-UHFFFAOYSA-N 474.369 5.105 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Cl)cc1C1CCCCC1)c1nc(-c2ccncc2)cs1 920268737 PSHDTCSHKWSLMK-FQEVSTJZSA-N 451.979 6.161 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2c(C)noc2C)cc1 920354226 AVQLVIMDSVZEOP-JOCHJYFZSA-N 462.575 5.069 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2c(C)noc2C)C1=O 920358240 ZLHSSWIPBSQZED-OAQYLSRUSA-N 498.992 5.114 30 20 JKED N#C[C@@H](Cc1ccccc1)OC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 920422635 FTGYXUTUBUSEMG-LJQANCHMSA-N 458.315 5.351 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)C2(C#N)CCCCC2)cs1 920673013 JTRQPHOSAWATPW-UHFFFAOYSA-N 451.470 5.364 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 920867747 HAECRXKJKCDPKB-DNVCBOLYSA-N 493.601 5.244 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)cc1C 921253928 RMJKOSZGHSUIHS-XLIONFOSSA-N 493.551 5.231 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)nc(O)n4CC(F)(F)F)cc2)c1 1565687361 JCUUWWZLNGXTAD-UHFFFAOYSA-N 452.392 5.220 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)c(C)c1Cl)C2 1779512710 AMKSJORAHAYRDP-CJFMBICVSA-N 481.464 5.422 30 20 JKED C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3CSc3ccccc3)C2)C1 1781940500 KSCNNRAYXUUBFS-LJAQVGFWSA-N 490.669 5.191 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCCC4(F)F)CCC3)cc2)cc1 1785882081 ZUJVQPNJINHZBZ-RUZDIDTESA-N 469.507 5.152 30 20 JKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C3(NC(=O)[C@H](S)C(C)C)CCC3)cc2)cc1 1786199735 HIJNSPZUWBYKDH-RUZDIDTESA-N 482.646 5.137 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)nc1C 1787172555 GXJRKPLCVCRSAO-LJQANCHMSA-N 452.558 5.387 30 20 JKED CO[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(C#N)c3)CCC2)cc1)c1ccccc1 1787713939 IADHXYCQGGBNKJ-RUZDIDTESA-N 453.542 5.002 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)cccc1C(F)(F)F 1788031375 SZWFNYKKAXKMBA-UHFFFAOYSA-N 486.538 5.043 30 20 JKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)c2s1 1788945030 MXNPMPSVRXIOES-JFLMPSFJSA-N 472.570 5.065 30 20 JKED Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)c2[nH]1 1789019524 SCSJKHHQYDEVNN-UHFFFAOYSA-N 478.552 5.175 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5cc(F)ccc5n4)cc3)CCC2)c1Cl 1789291950 KKVUZDVPKRPRDG-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(NC(=O)OC)c3)CCC2)cc1 1789456953 ZWWPRPCHSKRIIQ-HSZRJFAPSA-N 461.562 5.381 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(Cl)cccn34)CCC2)cc1 1789626084 JGOFSVGIIKZGRC-UHFFFAOYSA-N 464.997 5.728 30 20 JKED CC(C)n1nccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1789802212 MBPZLGYNKPBQIX-UHFFFAOYSA-N 461.953 5.051 30 20 JKED COc1nc(C)ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1789875379 MKZCASOBNRSSTD-UHFFFAOYSA-N 498.583 5.119 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(NC(=O)CCC)c(C)c4)cc3)CCC2)C1 1790052280 KWENQFYDMFZMNZ-UHFFFAOYSA-N 459.590 5.448 30 20 JKED Cc1nc(Br)sc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790287628 KHVKJGAIUPTXKE-UHFFFAOYSA-N 495.402 5.147 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1791300444 QITXGUYHZPOBBC-SFHVURJKSA-N 479.568 5.025 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(OC)cc3F)CCC2)cc1)C(F)(F)F 1791305183 DRNHMHJKAMAPIL-VZUCSPMQSA-N 462.443 5.100 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1)c1ccc(O)cc1 1791646513 VVBULCYSCWBXHY-OAQYLSRUSA-N 492.579 5.213 30 20 JKED C/C(=C\c1cccnc1)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1791850811 GNASJMYGQLYJMG-DYTRJAOYSA-N 464.569 5.123 30 20 JKED Cc1cc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)ccn1 1792123246 PNQNXNLXQFLVNM-FQEVSTJZSA-N 466.585 5.398 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(NC(C)=O)ccc3Cl)cc2)CCC1)C(F)(F)F 1792191498 DDDKEUCMPQHCJC-UHFFFAOYSA-N 479.886 5.165 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204075 KXQDAZTVUIWDJU-QHCPKHFHSA-N 483.653 5.560 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)c(F)c2)c1 1799343646 QTJBMTPTHYHAPN-KOUNCHBCSA-N 471.507 5.069 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1F 1799706664 ZHQRDFZVXVTUDG-MUJYYYPQSA-N 488.403 5.429 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)[C@H]2c2cccnc2)C1 1802418146 QREZORYZTMVUIT-GIGWZHCTSA-N 490.607 5.287 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(Br)cc2)C3)c1 1803683698 FZYUWMOWPIRMKR-ZHXCQQJKSA-N 492.417 5.041 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)C3(C#N)CCC3)CC2)C1)c1ccc(Cl)cc1 1805638031 HHNYGNVPESKOFL-QFIPXVFZSA-N 456.030 5.005 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)CCc4ccccc4Cl)C3)CC2)c1Cl 1809357188 JRQIAUCDMFUESA-UHFFFAOYSA-N 484.427 5.343 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1810181950 MWMZYRNYXCXADP-NZCWTCFWSA-N 478.036 5.239 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1810273890 ZWETVHZAGLDZEN-LITSAYRRSA-N 489.736 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@@H]1c1cccnc1 1810494360 HICNNHLQAZBMHF-UFHPHHKVSA-N 496.655 5.764 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(OC(C)(C)C)cc3)[C@@H]2c2cccnc2)c1 1811235538 DPDNEVUDCRNMOR-SQHAQQRYSA-N 496.611 5.072 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811272274 KIYNLZPRJWWSGB-LITSAYRRSA-N 482.628 5.002 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[C@@H]1c1cccnc1 1813229487 QMBXUEGZGJWRJK-WMVAVLGLSA-N 499.577 5.190 30 20 JKED Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c1Cl 1813869835 RTKHMROSLXXNQU-GVCORALISA-N 487.003 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1813990248 GHNOTPRYWAQWSW-OASJLCFRSA-N 491.607 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 1814361452 FVPMUAHLSTWXEK-NRFANRHFSA-N 461.566 5.363 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)[nH]n1 1814829472 QVIBOUFHRJCCCV-HSZRJFAPSA-N 489.576 5.148 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815536326 UNUDBZQFVWJSTB-ARKBFRDHSA-N 472.511 5.328 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)cc2C(F)(F)F)n[nH]1 1815547556 ZLDODXPYBVBZIJ-GHTZIAJQSA-N 492.517 5.571 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1816461440 MEHUAVHFJYTSMG-GNISGLHKSA-N 494.617 5.415 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1)c1cccs1 1818453105 XQLOQOHNEKWVOD-TWLJRWAQSA-N 484.581 5.369 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc(OC)ccc3n2)n[nH]1 1818664058 DVUYRDXFHGSLJV-DEOSSOPVSA-N 473.577 5.041 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3[nH]2)n[nH]1 1818979014 KQOAAEAORBMWEF-OAQYLSRUSA-N 496.409 5.153 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1819303963 UTMDDPAJBNZJPP-ZJSXRUAMSA-N 475.568 5.618 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[nH]n1 1819305734 YEBVMIUPYWSTGE-ZUHYHBHRSA-N 487.648 5.548 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)[nH]n1 1819309282 QVASBACBKQJIGH-JYFHCDHNSA-N 497.599 5.359 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819964444 KAZKJMQIDZMXHP-CYBMUJFWSA-N 459.424 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc3cccnc3cc2F)n[nH]1 1820839015 KAORMPCTJLOGSZ-HYBUGGRVSA-N 475.568 5.100 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)[nH]n2)cc1 1821180486 VXSKUQDPNWXOAI-QHCPKHFHSA-N 487.991 5.167 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)n[nH]2)c1 1821849463 QUPSUDBWZRTSAM-QFIPXVFZSA-N 495.505 5.157 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821987883 CGSKTDKRGIANSP-KRWDZBQOSA-N 488.432 5.014 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)[nH]n1 1822582021 GRNWNRRRRHJTSY-IBGZPJMESA-N 486.498 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3Cl)[nH]n2)c1 1823218505 SAVDAHUTXKXAFD-ZHRRBRCNSA-N 461.953 5.310 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603306 XDRLIKAPZKLTKY-CJFMBICVSA-N 474.605 5.087 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1823658154 IPSCLNOUMLMSMU-LVXARBLLSA-N 486.660 5.553 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)nc4ncccc34)CC2)C1 1823702730 VCVUGIXEACXJIC-NDEPHWFRSA-N 494.639 5.496 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)ccnc3Cl)CC2)c1 1825372236 WFBDETYZDKWHFP-HTAPYJJXSA-N 482.987 5.048 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827344339 RZISOSKXBHLZGZ-FDDCHVKYSA-N 470.013 5.441 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827517076 ALRWWRPIQQMKSC-QHCPKHFHSA-N 486.056 5.346 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 1827681839 SNXLULWTJUCAML-QOZRNZOTSA-N 499.076 5.564 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccs1 1827684196 QZWQKQYPIBQJKC-AAJFVQQISA-N 486.637 5.574 30 20 JKED Cc1cc2[nH]c(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)cc2s1 1827699526 AALQOJUBPICPNL-GUYCJALGSA-N 489.626 5.161 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)CC1 1827850354 LGQYZOWHXHYSPY-KNQAVFIVSA-N 463.544 5.102 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c2s1 1828097492 VALZRDWIKIJDNR-VWLOTQADSA-N 486.641 5.218 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828167480 FBQIFIPUUZYAAZ-AOYPEHQESA-N 481.706 5.094 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1828827543 OXRAPXPOLOSOFX-FSVJATIDSA-N 489.660 5.578 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828828674 PHZHXZJQMUBKCT-CJFMBICVSA-N 469.576 5.448 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)CC1 1828830092 KQYCMPQFCDPRCP-DUJPBFIOSA-N 464.650 5.487 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1828830116 LJWDEFJWKFHHSO-DQEYMECFSA-N 482.665 5.025 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2Cl)CC1 1828906938 QMVATTOBKOAMAZ-OAQYLSRUSA-N 463.094 5.217 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)CC1 1829390334 RDQWIXBIDCYXIT-FQEVSTJZSA-N 465.560 5.326 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)c1 1829957520 VIGGEZQZVDVDFK-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2)CC1)NC(=O)OC(C)(C)C 1830003798 DREAVVDLLFFEQQ-JWQCQUIFSA-N 497.680 5.088 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830360858 RSNAPXCDOAJGOZ-JPYJTQIMSA-N 499.677 5.102 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830408897 BJQJPGQZTABGFB-VSOVPVGVSA-N 491.676 5.802 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)CC2)c(Cl)c1 1830513087 OONXJXKTIBKZGR-HSZRJFAPSA-N 489.925 5.176 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)CCC1 1830978347 RFZDWDHJVWALJJ-XMMPIXPASA-N 484.600 5.355 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831140499 STFWJBBANFCGMQ-FQEVSTJZSA-N 463.713 5.028 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1831368870 AOGVZYCJGZGWBH-JTSKRJEESA-N 468.535 5.219 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c1 1831790613 JUKSYGOPRBEVFX-VKKANWSESA-N 469.629 5.351 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 1831860632 FVXHUECWKUUUHR-JBOQNHBVSA-N 499.699 5.098 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 1832030475 QLUPWZXCAANJNV-HHHXNRCGSA-N 463.666 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc4ccoc4c3)CC2)c1 1832631140 RSDDOCQZDXMKJE-DFBJGRDBSA-N 470.573 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cnccc4c3)CC2)c1 1832631885 IPOYMEDCZWGBTG-RBTNQOKQSA-N 480.612 5.409 30 20 JKED COc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c2c1 1832632193 MJCJYTFVFJWNFC-MMTVBGGISA-N 498.627 5.351 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1832634690 YRFJRLOEUODMRD-DFBJGRDBSA-N 497.561 5.880 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCC(F)(F)C3)CC2)cc1C#N 1832702912 OXGVLVFYBDIRGF-GGAORHGYSA-N 487.591 5.014 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)CC2)cc1C#N 1832984852 BLSIPSAUVSMPAB-NEKDWFFYSA-N 499.602 5.324 30 20 JKED C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(OCc3nc(C(C)(C)C)cs3)c2)C1 1845549020 PMVMVBKDRACXEU-IBGZPJMESA-N 481.662 5.049 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1c(Cl)cc(Cl)cc1Cl 1847265406 XEWRRQCDIRLCOV-ROUUACIJSA-N 473.828 5.220 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10168753 VDQALUIMMRQMQN-UHFFFAOYSA-O 487.595 6.511 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(C(C)(C)C)cc2)c1C 10168787 DHHRYUJKWBAEHI-UHFFFAOYSA-O 492.665 5.671 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c1 10172591 FXIRPGCSCFKNSW-UHFFFAOYSA-O 451.562 5.799 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(CO)c2)c1 10174159 MXHMKLYDZPWHNA-UHFFFAOYSA-O 475.512 5.033 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(C)c2)c1C 11128908 HDHOGZBYENSAMS-UHFFFAOYSA-O 490.527 5.084 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c(C)s1 11265232 JLVQPFSEOOEAKY-UHFFFAOYSA-O 463.692 6.706 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2ccccc2)nc2scc(-c3cccs3)c2c1=O 11381923 INOFDACYQLJFQF-HNNXBMFYSA-N 467.641 5.170 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(Br)c3)no2)nnc1-c1ccc(F)cc1 18962076 WSWITUPJJDCWEH-UHFFFAOYSA-N 472.343 5.375 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 21366785 LGCPURQZMCCOBS-UHFFFAOYSA-N 454.571 5.211 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1cccc(Br)c1 21668279 XWICULNNHHZAHE-CQSZACIVSA-N 491.386 5.064 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730926 MMPMFYWPBZQNML-UHFFFAOYSA-O 481.641 6.323 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nc3scc(-c4cccs4)c3c(=O)n2C)CC1 23539506 BRCSNZLFEISVCJ-UVOCGCJZSA-N 486.688 5.135 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccc(OC)cc1 23997994 SPBRCGGIWZWRLW-CQSZACIVSA-N 473.396 5.022 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1Oc1ccccc1 32804664 NMKTYBOBKQVRCQ-UHFFFAOYSA-N 467.319 5.529 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 46668035 DGFPZIABKOZOPX-UHFFFAOYSA-N 461.481 5.752 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)cc2)c1 78719896 OWQSAICEZGEYLX-UHFFFAOYSA-N 470.554 5.030 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 110014430 XPHAZHMTFIQJIC-CYBMUJFWSA-N 487.375 5.933 30 20 JKED Cc1nnc(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c(C#N)c1C 218940966 LOPHMJFWHQKSFQ-UHFFFAOYSA-N 469.364 5.251 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1Cl 302942103 BUKCXKDNQOXPEO-UHFFFAOYSA-N 489.988 5.932 30 20 JKED Cc1cc(N2C[C@@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2=O)ccc1Br 303358688 PKODZVTZGDRIIV-HOTGVXAUSA-N 472.408 5.143 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 483496813 SBRJOLSDIXCGSS-UHFFFAOYSA-N 465.487 5.250 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)c2cccc(OC)c2)c1 501436644 KRMHOFRHKVMZMY-UHFFFAOYSA-N 485.005 5.397 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc(C(=O)OCC)cs1 501955734 ZKQMBNMPNRSKCH-UHFFFAOYSA-N 480.373 5.433 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)CCc2ccccc2)c1 502028341 VMSPZPSTPYNWDF-UHFFFAOYSA-N 469.006 5.036 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 502659230 AVCSWYIYNIDZAJ-UHFFFAOYSA-N 450.848 5.113 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nc2sccc2c1=O 502729129 RTURYMKMZKVSGF-INIZCTEOSA-N 494.667 5.451 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 503531224 UZNBUOBCIMGTNC-HNNXBMFYSA-N 450.470 5.163 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)[C@H]1c1ccccc1OC 506722264 RKHNTWGZLBOMBJ-YADARESESA-N 465.619 5.226 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(Oc5ccc(C#N)cc5OC)cc4)CC3)c2c1 508264342 ALPKGWQEXYGURU-UHFFFAOYSA-N 496.567 6.261 30 20 JKED O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 509750292 IYGCPKMSUSRPOG-UHFFFAOYSA-N 483.347 5.487 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)c2)cc1 509910848 KOLYMEYWJQIQAO-UHFFFAOYSA-N 462.553 6.134 30 20 JKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1[N+](=O)[O-] 510487309 AIXSCCZRDTZZOD-JOCHJYFZSA-N 488.500 5.463 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3sccc3S(=O)(=O)NCc3cccs3)cc2)cc1 511751974 HXLFUDDEXYSMGB-UHFFFAOYSA-N 495.607 5.204 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 516270041 LCYBFLZINUQTLD-HXUWFJFHSA-N 480.597 5.857 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)CC2)c1 517898286 YTGWEOAYCIDYHL-UHFFFAOYSA-N 453.848 5.228 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1Br 518666896 MDSZQCHPZWRZGN-LBPRGKRZSA-N 472.330 5.913 30 20 JKED CCOc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCc1cccnc1 519107891 LPMRETPHUIKVAS-VWLOTQADSA-N 497.982 6.620 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 519139260 BBLSCAYMDVDWPO-KRWDZBQOSA-N 482.005 5.558 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cn(-c4ccccc4Cl)nn3)s2)c(C(F)(F)F)c1 519911417 ALOFPRFHQWCAAO-UHFFFAOYSA-N 488.882 5.111 30 20 JKED Cc1csc(Sc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)n1 519942126 TXPOPBCSASFBDA-UHFFFAOYSA-N 490.570 5.540 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 519987578 GVTLEORJMXTKGC-UHFFFAOYSA-N 455.514 5.486 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1OC(F)F 520008819 SHHVWMYKRYKUMS-OAQYLSRUSA-N 465.456 5.158 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(OCc3cccnc3)c2)cc1C 520454336 CMUAJVPBXXFMHO-UHFFFAOYSA-N 451.530 5.307 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 522419238 KJPBXIORQQRQCU-UHFFFAOYSA-N 488.519 5.381 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 522497993 SLSGYJRAKQVZEV-UHFFFAOYSA-N 475.548 5.401 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 523240557 VPZMZZLNTOVGLE-FQEVSTJZSA-N 468.944 5.948 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 523718019 VRKUQCVDTIZNQH-FQEVSTJZSA-N 490.387 5.052 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 524380013 IGEABOJIVGRFSC-UHFFFAOYSA-N 477.496 5.138 30 20 JKED O=C(Nc1cc(F)ccc1Oc1ccccc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590182282 QUXZWUTWKFYVAH-NHAGDIPZSA-N 492.391 5.582 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1)c1ccccc1 591862590 XEHIJIFFCAAKBW-IBGZPJMESA-N 479.483 6.082 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)cn2)c1 603627094 QGZXODZIZFMXKS-UHFFFAOYSA-N 461.481 5.225 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(Oc5ncccc5C#N)cc4C)cc3)o2)c1 603738962 NEAIWNZMTFXDQI-UHFFFAOYSA-N 487.519 6.332 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)s2)cc1 603765406 UGPNGUBWQDPQNO-UHFFFAOYSA-N 456.527 5.829 30 20 JKED Cc1nc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)sc1SCC#N 603775867 PJIBSQXBKHCDFM-UHFFFAOYSA-N 485.638 5.426 30 20 JKED CCCOc1ccc(Cl)cc1NC(=O)COc1c(Br)cc(C#N)cc1OCC 603977474 YIHZCYISXGOSMM-UHFFFAOYSA-N 467.747 5.179 30 20 JKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604085450 JVHYCDGMESQDSP-DEOSSOPVSA-N 455.558 5.579 30 20 JKED CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604135692 CKIYTJNWMAZONJ-HSZRJFAPSA-N 461.949 5.038 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N(Cc3ccco3)Cc3cccs3)c2)cc1 604156839 VWJMAABOYCMQKW-UHFFFAOYSA-N 485.565 5.154 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H](C)c1cc2ccccc2o1 604424874 VPVPHSYIRZHISU-QGZVFWFLSA-N 454.486 5.040 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCc3c[nH]c4cc(Cl)ccc34)cc2Cl)cc1 604488566 YRHHDFJLFWWNDW-UHFFFAOYSA-N 493.350 5.436 30 20 JKED CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCO[C@@H]1c1ccccc1 604520785 QAITYYXYGMFRCY-CJFMBICVSA-N 451.636 5.317 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)c2)c1 608939950 QOWGDWLQYGQODG-UHFFFAOYSA-N 481.581 5.275 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCc2c(Br)cccc21 609052905 PPCVFTVWFGWKGX-HSZRJFAPSA-N 490.357 5.164 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 609078793 OMUTWMSEWOHXDM-UHFFFAOYSA-N 468.557 5.002 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cc(C#N)ccc1OC(F)F)CC2 609081543 SGMAXNOJKNRKHL-XMMPIXPASA-N 479.483 5.356 30 20 JKED Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1C 609376497 CGVKXQPOIVFBCP-QGZVFWFLSA-N 499.702 5.211 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ncnc3sc4c(c23)CCC4)n(Cc2ccccc2)c1C 611150792 ZPVIIYKADPBAJE-UHFFFAOYSA-N 473.627 5.249 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 620304228 JPJLZEDJEOVRLF-NSHDSACASA-N 473.863 6.334 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(-c3ccco3)nc21 620304236 KXHDFAJJHHEIIL-HNNXBMFYSA-N 489.507 6.164 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)nc2sc(C)c(C)c2c1=O 670185407 IOPIZBVEDQUQBO-UHFFFAOYSA-N 469.554 5.216 30 20 JKED N#CC(CCOC(=O)c1cc(Br)cnc1Cl)(c1ccccc1)c1ccccc1 725942274 RJEIFWBIXOBDDO-UHFFFAOYSA-N 455.739 5.554 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CC[C@H](C)OC)C1=O 726394212 SWROOKQCDDNQBH-KKSFZXQISA-N 490.025 5.042 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CC[C@H](C)OC)C1=O 726396471 FCQRGDKIOZSQTJ-KKSFZXQISA-N 490.025 5.042 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 726396659 KFAYPFDSPBEYNG-GOSISDBHSA-N 494.400 5.133 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 726403318 ZUASKBKYNBNYEC-XOBRGWDASA-N 477.989 5.173 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CCc2ccc(C)o2)C1=O 726418714 ANWXWJKYJREBHD-PKWGXKOHSA-N 497.642 5.291 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726422249 UWKNHXLJJDGCMP-NTTOUURBSA-N 499.580 5.489 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CNC(C)=O)s2)[n+]2ccc(C(C)(C)C)cc2)c1 726572408 CQADVUOGHXYALH-UHFFFAOYSA-O 490.674 5.274 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(Br)cn2)cs1 727266037 HFZCTAHJULJXTC-UHFFFAOYSA-N 484.301 5.450 30 20 JKED N#CCOc1ccc(CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 727677888 WMKKZCXREWGLCO-HMMYKYKNSA-N 484.537 5.354 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 728031783 BSJRTEOMFVLJJS-VGSWGCGISA-N 485.540 5.001 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)o2)cc1 728110491 MTYRRBKHLPUTHH-UHFFFAOYSA-N 480.476 5.022 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cs1)c1cccc(C)c1C 728347293 QPYXWVAQGMDSIT-XMMPIXPASA-N 474.586 5.028 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2scnc2C)C1=O 729146499 RTLAGTMMQYXHAX-HXUWFJFHSA-N 498.605 5.068 30 20 JKED N#CC1(c2ccccc2)C/C(=C/c2cnn3ccccc23)C(=O)/C(=C\c2cnn3ccccc23)C1 729644133 PPKSCRZILAZTJA-HHQODBOJSA-N 455.521 5.273 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c1 730444389 WQWSKIPZPXONQV-JOCHJYFZSA-N 498.555 5.081 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 730686737 IOGWLIUIHNHKNO-DYVFJYSZSA-N 499.441 5.005 30 20 JKED CCOc1ccc([C@H](CNC=C2C(=O)CC(CC)CC2=O)c2c[nH]c3ccccc23)cc1OC 730999989 HYPCDQKDSJKXOQ-ZYZRXSCRSA-N 460.574 5.139 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC(=C)CC2)ccc1Cl 731052344 LNIOVNLXGJCMRG-UHFFFAOYSA-N 465.402 5.167 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C 731287685 HPYCOXHBIDIEHA-VWLOTQADSA-N 477.568 5.329 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC)C[C@H]2CCCO2)ccc1Cl 743911523 IUIDWMLFCMLROK-GOSISDBHSA-N 497.444 5.016 30 20 JKED O=C(/C=C/c1ccc(-c2ccccc2Br)s1)c1cccc(N2CCOC2=O)c1 745626844 SNIBVGIRUDBNDC-CSKARUKUSA-N 454.345 6.030 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746658087 AXXULBIYCTUDGK-QFIPXVFZSA-N 466.354 6.298 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCOC(C)(C)C 746697991 RHCCQIKSZSGAPB-HXUWFJFHSA-N 490.025 5.124 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cscn3)C2=O)c1 747601994 XMEDKGZNJGBEHV-HXUWFJFHSA-N 485.034 5.574 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747603656 TUXSAQWLHJKUTL-GOSISDBHSA-N 492.960 5.235 30 20 JKED CSc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 748145998 DPKMIIWADMYFIK-WJDWOHSUSA-N 455.004 6.416 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](O)c3ccc(OC(F)(F)F)cc3)cc2)cc1 750305873 HEFCUGFICDDLMV-NRFANRHFSA-N 457.408 5.104 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 750688751 GVBHHWDATUOJRJ-RUZDIDTESA-N 456.521 5.364 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@H]2C[C@H]2c2ccccc2C(F)(F)F)C1=O 750916722 OTUSDMIOLPLFMC-KKXDTOCCSA-N 499.917 5.122 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1C 837299180 DXJYUHHMYODRRG-FDDCHVKYSA-N 476.577 5.559 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 837300294 DWFLYDFQEWPCQD-IQGLISFBSA-N 498.583 6.095 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 914547356 NFWRUWZCJNDJKW-YADARESESA-N 472.614 5.043 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1Cl 914551451 DNOWEPBDJRBNSW-VGSWGCGISA-N 479.005 5.134 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)s2)cc1 914910024 WAJWKMCYARVMPG-UHFFFAOYSA-N 473.554 5.425 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(Br)cc2Br)c([N+](=O)[O-])cc1OC 916140132 BVLMOBZDNWYFBG-ZZXKWVIFSA-N 471.101 5.033 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccccc1 916210121 ATQPNMWSYHFVFE-NRFANRHFSA-N 490.025 5.044 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)cc3)C2=O)c(OC)c1 916210483 GNYOGRSRUIGEDL-XMMPIXPASA-N 489.597 5.173 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc(Cl)c1OC 916278554 NCKPSCXDUUODDM-UHFFFAOYSA-N 452.967 5.254 30 20 JKED Cc1sc2ncn(N=Cc3cn(CCC#N)nc3-c3ccccc3)c(=O)c2c1-c1ccccc1 916283646 LYWCMLHGTNQNND-UHFFFAOYSA-N 464.554 5.093 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 916917498 HIMCCZVMXGSKNQ-HXUWFJFHSA-N 481.512 5.249 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C)cc3Br)n2)cc1 916974814 RQCFGKFEOAYMAK-WBVHZDCISA-N 455.377 5.833 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916977617 VHPSEPYCCPAWRF-FXAWDEMLSA-N 464.978 5.584 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044820 VIRDIHLWLDBDEN-WMLDXEAASA-N 472.492 5.435 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1nc2cc(Cl)ccc2s1 917046996 OCZDCHCYDZBAIZ-CQSZACIVSA-N 473.004 5.068 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 917507517 YWGNBOIDCUJPOL-NLFFAJNJSA-N 460.555 5.233 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ncnc3c2cnn3-c2ccccc2)cs1 917547837 DGMFYYTXRLKZGO-UHFFFAOYSA-N 488.964 5.056 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1cccc(Cl)c1 917700694 REOONWPDSSCSSM-QHCPKHFHSA-N 489.000 5.050 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H]1CCc2cc(F)ccc21 920170259 XZGIVNORGJMAKW-DQEYMECFSA-N 498.583 5.023 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3c(C)noc3C)C2=O)cc1 920357742 ZOCOKDPIMCRODU-QHCPKHFHSA-N 476.602 5.377 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 922304230 HJNHGZRRXOLKFB-HNNXBMFYSA-N 473.429 5.676 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2nc(-c3ccncc3)cs2)c1 929327189 FFNLSTVRXNAPCH-UHFFFAOYSA-N 471.567 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3c(Cl)cccc3s2)C1 1778719002 FZHKTJYRFRZWEA-ATIYNZHBSA-N 489.081 5.675 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)C2)C1 1779955804 JTDABAXQVKKJOB-SSEXGKCCSA-N 485.628 5.042 30 20 JKED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 1781024178 UBTGPNCOJIQDKN-FYBSXPHGSA-N 480.693 5.213 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4=CCCC4)cc3)CCC2)ccc1Br 1787623302 QEPITTRQIGXMOK-UHFFFAOYSA-N 464.363 5.179 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CNc4ccccc4C3)cc2)CCC1 1788068163 ZFSHUELYYIZEFN-FQEVSTJZSA-N 463.647 5.104 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(-c5nccs5)noc4c3)cc2)CCC1 1789224715 RVWSQHRVKFSZSR-UHFFFAOYSA-N 498.608 5.893 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1789558032 BJMLJEPWMYAURX-KVUWKNAUSA-N 494.979 5.098 30 20 JKED COc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1789931892 KPYKMPJLQPJACK-QGZVFWFLSA-N 459.571 5.445 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cccc4OC)CCC3)cc2)c1 1790076955 VYWMMURTJIJESI-UHFFFAOYSA-N 489.959 5.290 30 20 JKED Cc1cccc(-c2cnccc2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)c1 1790144569 VMWGQUMSAXNFMP-UHFFFAOYSA-N 475.552 5.318 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccs5)on4)CCC3)cc2)c1 1790258322 FIHDYJJTOZQBFG-UHFFFAOYSA-N 468.538 5.336 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1790567055 FUJGBSWSYYGWBQ-HXUWFJFHSA-N 470.573 5.297 30 20 JKED COc1ccc(Cl)c(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)c1 1790837015 KZVBULPGMXJKBJ-UHFFFAOYSA-N 499.958 5.158 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)NC(=O)CC5)cc3)CCC2)c1Cl 1790982647 LEVVVIQCSQZWBX-UHFFFAOYSA-N 498.970 5.158 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(Br)cnc5s4)cc3)CCC2)CC1 1790986919 HWRSOTHWOFUVGM-UHFFFAOYSA-N 495.402 5.110 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791251403 HQCUUYRYRZTQDD-LEWJYISDSA-N 483.653 5.370 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)CCC2)cc1)C(F)(F)F 1791302341 HISCJOKVEFGWCR-KXBFYZLASA-N 495.542 5.027 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)cc2)CCC1 1791477749 HTGQAUBKUWIHGN-VOBQZIQPSA-N 473.436 5.005 30 20 JKED C[C@@H](Cc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791767243 PESICVCICQAOOJ-SFTDATJTSA-N 466.585 5.335 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)cc3)CCC2)cc1 1792154672 JSIBUHRSRJAFML-UHFFFAOYSA-N 475.552 5.204 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3C3CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205311 WBGFMRGZMVURQV-VJBWXMMDSA-N 481.637 5.026 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cncn4-c4ccc(Cl)cc4F)CCC3)cc2)CCC1 1792230475 SAILFOIPKPQWIM-UHFFFAOYSA-N 491.954 5.106 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(F)cc2)c1)c1ccccc1 1794763258 BSALLSVOWHOXCO-HVWQDESWSA-N 483.587 5.270 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cccc3s2)c1 1797651969 SWKGSEVZPUUBBG-GEALJGNFSA-N 478.017 5.747 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(Br)c2[nH]1 1798135649 SISUCPGSKKFFRF-BCDXTJNWSA-N 472.427 5.175 30 20 JKED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2cccc3ccccc23)CCC1 1800812141 SYFHZWXBKPAPGC-NUNAXRQHSA-N 479.580 5.578 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C2)c1ccc(O)cc1 1802423646 XPJGWMOCXFGKCY-AYWYSENESA-N 485.411 5.148 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)[C@H]1c1cccnc1 1803084532 RMDBLLPZYKTXRU-URXFXBBRSA-N 465.663 5.529 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCC4(CCCN(C(=O)CCc5ccc(C#N)cc5)C4)CC3)c2O1 1804758520 KYDZKRLOKXRVJX-UHFFFAOYSA-N 499.655 5.139 30 20 JKED Cc1cc(C)c(NC(=O)OC(C)(C)C)c(C(=O)N2CCC3(CCCN(C(=O)C(C)(C)C#N)C3)CC2)c1 1805046115 MWPFMDLOJBDPFP-UHFFFAOYSA-N 496.652 5.045 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)CC1 1805607043 UBNKXBZSHXPZTJ-NHCUHLMSSA-N 458.593 5.292 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)CC1 1805610924 LWPSPEZEXDYWLH-DHIUTWEWSA-N 496.985 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1807838000 FLRLHZBJUPNAAD-GGXMVOPNSA-N 494.639 5.540 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809210218 SFOVIGQLSRSUBZ-DVECYGJZSA-N 498.048 5.252 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809443664 UUMLOCQLCCQNQM-FHAGJXEFSA-N 494.060 6.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(OC)ccc3o2)[C@H]1c1cccnc1 1809711648 DBFLFHWLLHCHQX-CJFMBICVSA-N 475.589 5.148 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(F)(F)F)nc3ccccc23)[C@@H]1c1cccnc1 1810025928 VWQNYDCUOKVSHC-PDOGEWKWSA-N 496.533 5.180 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccc4c3OC(C)(C)CC4)C2)CC1 1810720755 YDLNJCPRPPNJPJ-QHCPKHFHSA-N 464.650 5.403 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1810724810 ABAXNRALKNJPDI-QPPBQGQZSA-N 495.501 5.312 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1811207345 RIBCWPRMYBJHCA-QPPBQGQZSA-N 451.998 5.131 30 20 JKED CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811739466 KUMVQTGEQJRJMK-FXSPECFOSA-N 487.003 5.120 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccc(F)cc4)cc3F)[C@H]2c2cccnc2)C1 1812053561 KVEUBLLXDZRRCJ-WXVAWEFUSA-N 487.550 5.313 30 20 JKED Cc1cc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)cc2s1 1813868462 OBQWINCFODSCND-VPWUQYKFSA-N 497.624 5.193 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c1 1814622675 YMFJBVMHOOLUMT-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)[nH]n1 1814827708 VQCJRIZYCDLGIE-SFHVURJKSA-N 464.488 5.404 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(CC=C)CC=C)n[nH]1 1814830224 RRJZUQBHCCXZCO-UNMCSNQZSA-N 499.656 5.030 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccccc2Cl)[nH]n1 1818115787 PJRJQPAFFIZFED-YVNCXZRQSA-N 497.020 5.189 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)[nH]n1 1819555643 RGGILBWUZVIYCO-IBGZPJMESA-N 499.612 5.648 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)c1Cl 1820219261 PEJTWWQWAMRALR-HXUWFJFHSA-N 453.974 5.211 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c(F)c1 1821025148 IIWBFKBRJQGTLA-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126963 DKEMRPGONILCGL-GOSISDBHSA-N 466.891 5.191 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)[nH]n2)c1 1821325905 UXDIOPYJPLVQCE-SANMLTNESA-N 490.567 5.272 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cccc(Br)c3n2)n[nH]1 1821417363 DSNBLXYMHKQDLF-MGPUTAFESA-N 496.409 5.239 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)[nH]n2)c1 1823212899 YQZJKWYUOZSMOS-SMNKOMBISA-N 485.510 5.075 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)[nH]n2)CCC1 1823378126 ANLNGWAWZDAQHG-QHCPKHFHSA-N 492.583 5.329 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)[nH]n1 1823421876 HKQSHSKOEBVEBM-NAKRPHOHSA-N 491.680 5.171 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1823752107 LWQDZCAZNFCMSP-FQEVSTJZSA-N 468.560 5.833 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824052033 YCTWYGVCQILZKX-AMGIVPHBSA-N 489.685 5.291 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c(Cl)c1 1824056037 NGJPQVAOFZTSSY-SANMLTNESA-N 494.035 5.086 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824245481 AMGJODZEWUFUGJ-MXJXRJBTSA-N 456.030 5.147 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1824502799 XQLLURPIRVJQCZ-RUZDIDTESA-N 470.654 5.080 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1824958361 RKXZQELDCYNZOH-INIZCTEOSA-N 461.480 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)CC1 1825099900 DNQYOBLLQXIOOZ-ISKFKSNPSA-N 491.598 5.421 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1826316392 DYLPNVCGBKQBRX-OZXSUGGESA-N 461.581 5.124 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3cccc(F)c3)CC2)C1 1827352974 YUUBSFPSJYUKOR-VWLOTQADSA-N 461.581 5.087 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1cccs1 1827683937 RDDQAFPFTABIKY-XTXLJPNXSA-N 489.012 5.213 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@H](C)c2ccccc2)CC3)c1 1827701143 TYQWIYWUYKTOEA-NJNPRVFISA-N 472.614 5.190 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828166258 IIJZSIXNRTUJBE-XMMPIXPASA-N 466.025 5.315 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828223267 CISRWZXJNVLUGZ-RPLLCQBOSA-N 475.633 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360167 FCDSRUSMJMAGBU-JRWCXLMHSA-N 491.676 5.802 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)cc12 1828577594 WRQRFDAVGVVRJP-RUZDIDTESA-N 489.019 5.549 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c1 1828677450 NMPQNEAJJYFGAR-RUZDIDTESA-N 486.641 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccc(C)cc2)CC1 1828824983 QWRBBMHWPNRQNF-FTJBHMTQSA-N 452.639 5.152 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cnc2Cl)CC1)c1ccccc1 1829031628 CKRFJCQOVRIYER-ZCYQVOJMSA-N 496.026 5.305 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1829067487 OHUYTZJBCJUJPQ-XMMPIXPASA-N 483.056 5.509 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)c1 1829419203 NPUGPBHBMDWGOR-VWLOTQADSA-N 498.652 5.537 30 20 JKED COc1cc(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689924 WCAFYQYBNKTJET-DEOSSOPVSA-N 480.008 5.076 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806482 VOCDBUMZWGDJKU-DCFHFQCYSA-N 496.598 5.456 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccccc3o2)CC1)c1ccccc1 1830851915 UBICCWLTYXSVEH-AOYPEHQESA-N 483.612 5.258 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060744 RRJTWTQJJZQZDL-VWLOTQADSA-N 456.586 5.623 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1831371427 VPVVSEDSOWFDRV-OXJNMPFZSA-N 476.543 5.027 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1831447509 VZAHCRADXYKNTB-JOCHJYFZSA-N 475.967 5.333 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2F)CC1 1831850764 PKDBTOICFFTBQX-JBOJMBJVSA-N 489.429 5.025 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832554991 LXQZTECXOJVGTO-AFMDSPMNSA-N 494.035 5.523 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cnc3Cl)CC2)c1 1832632478 RRDIDJJUKDMMSE-HXOBKFHXSA-N 482.987 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)Cc3ccco3)CC2)c1 1832635784 RZEKGBCWSZODQZ-IPVFLDMMSA-N 461.606 5.019 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)c3cccs3)CC2)cc1C#N 1832704235 JOBBEYZSHIXNOW-HYBUGGRVSA-N 493.673 5.444 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC2(CCCN2C(=O)c2cccc(C(F)(F)F)c2F)C1 1845347225 NTIDKAUXSXJWCH-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1)C(F)(F)F 1845883876 GTTJGSNCVGTURZ-OALUTQOASA-N 483.534 5.039 30 20 JKED C[C@@H](OC(=O)c1ccccc1CSc1nc2ccccc2o1)C(=O)NC1(C#N)CCCCC1 9556018 MUFQZOQQJKSQQN-QGZVFWFLSA-N 463.559 5.008 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836266 BOYYLQWPNRADCB-UHFFFAOYSA-O 464.825 6.548 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccc(Br)cc1 14081397 OBOHLRPVDMWLHB-UHFFFAOYSA-N 473.396 5.023 30 20 JKED C=CCN(C(=O)CSc1nc(CC)n[nH]1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 21587992 MHINEIUDPKOFIL-UHFFFAOYSA-N 454.408 5.109 30 20 JKED C[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)ccc1Cl 21749234 WFOKLXZODLKWFF-MRXNPFEDSA-N 489.380 5.458 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C(C)C 23585781 AFBXWSKWZQXCDV-INIZCTEOSA-N 485.009 5.067 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3nnco3)c2)nnc1-c1ccc(Cl)cc1Cl 24697757 SSDNHDGWTSGTMS-UHFFFAOYSA-N 487.372 5.219 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCc3csc(-c4ccc(C(F)(F)F)cc4)n3)nnc12 25180581 NPNNEMHJUZYYBC-UHFFFAOYSA-N 499.543 5.665 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 25802148 PGEYEWDQKWXYNE-IBGZPJMESA-N 493.654 5.231 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2ccncc2)cc1 26967240 BKACRAIRDSHQQY-FQEVSTJZSA-N 468.586 5.065 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(CC)cc3)s2)nnc1-c1ccc(OC)cc1 32326484 KAQAJRXNVLBXCJ-UHFFFAOYSA-N 492.630 5.098 30 20 JKED C=CCn1c(SCc2csc(-c3ncccn3)n2)nc2scc(-c3ccc(C)cc3)c2c1=O 108126680 ZTORKTQMEYASQU-UHFFFAOYSA-N 489.651 5.825 30 20 JKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc(Cl)c1OCC(C)C 108739303 FYRCESFVKNJFTA-UHFFFAOYSA-N 454.876 5.460 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nnc1-c1ccccc1F 195681688 CZAAUOQYWMNUNO-UHFFFAOYSA-N 471.355 5.980 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCCC[C@H]3c3ccncc3)s2)cc1 302943323 LTAJCTSZGVEHTH-IBGZPJMESA-N 450.593 5.246 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1OC 303144589 LMVJIXWTDJDRQC-XYOKQWHBSA-N 454.954 5.191 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)ccc21 303172280 IYFXHTWKCFYHMZ-UHFFFAOYSA-N 454.530 5.524 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2cccc(Cl)c2)CCOCC1 303203393 OSJAAXQNRHZIAJ-UHFFFAOYSA-N 460.961 5.786 30 20 JKED CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 303230965 XTKMZMPTPZTPEO-FXAWDEMLSA-N 453.970 5.014 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 409882497 BQIDNNLPUJHGOJ-GOSISDBHSA-N 480.611 5.654 30 20 JKED C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 481710246 GDOVAHSKLOXIDM-YADARESESA-N 458.537 5.233 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 483264571 DJQQUYXHPLJEPU-UHFFFAOYSA-N 461.521 5.950 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)s2)c(C(F)(F)F)c1 487441887 GANOWSKAMKQQQS-UHFFFAOYSA-N 478.858 6.150 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(c2nc3ccccc3s2)CC1 499128162 PHFVSSZNZISXNW-UHFFFAOYSA-N 470.623 5.718 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1nc2ccccc2n1C(F)F 499602443 NBOGZAXSCAGJMQ-JTQLQIEISA-N 480.784 5.174 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)cc1 499696970 SWXKDUADCPNCDX-QFIPXVFZSA-N 498.352 5.655 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(CS(=O)(=O)C(C)C)cc1 502632560 IJDOOTSDQGYEBV-UHFFFAOYSA-N 483.403 5.132 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 502915608 GPCBTZLZXUYTDX-UHFFFAOYSA-N 478.536 5.025 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503159654 RDSYJECPQAPXRP-UHFFFAOYSA-N 487.791 5.102 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)C2)cc1 505918370 GPMDRDAJUYVIGC-VWLOTQADSA-N 469.560 5.400 30 20 JKED C=CCn1c(SC[C@H](O)COc2c(Cl)cccc2Cl)nnc1-c1cccc(C)c1 508391700 LXPXCEYYQFEXIF-MRXNPFEDSA-N 450.391 5.278 30 20 JKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511338386 GDURPWMYYDSCIH-HXUWFJFHSA-N 466.545 5.137 30 20 JKED C=CCN(C(=O)C[C@@H]1CCCc2cc(OC)ccc21)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 512594832 FQCMJSFXXZWFAJ-FQEVSTJZSA-N 496.654 5.251 30 20 JKED Cc1csc([C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)n1 513686500 AFSAIVYOJKHJRG-QGZVFWFLSA-N 454.349 5.265 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc(-c3cccs3)nc21 514030809 LCCJKRGFQZDDGE-UHFFFAOYSA-N 484.610 5.912 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)n1 516795194 XKYGFZBOWBQLTC-FQEVSTJZSA-N 470.554 5.030 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)nnc2-c2ccccc2)cc1 518653270 XXVGIYRHRJSEND-FQEVSTJZSA-N 499.665 6.368 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cc(Cl)ccc1Cl 518667058 PUGCBZYRHMAEEK-LLVKDONJSA-N 462.324 6.457 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)cc1Cl 519105461 RCIRXAJKEHEHAX-NRFANRHFSA-N 467.356 5.087 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 519991292 ZSQLKZSTNJCOOI-UHFFFAOYSA-N 474.605 5.341 30 20 JKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)cc1OC 524566672 YCVYEMHILDFGSU-CVDCTZTESA-N 475.614 6.061 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 524674801 AWLIFLWOZIGGIM-QFIPXVFZSA-N 463.990 5.384 30 20 JKED C=CCn1c(SCc2csc(-c3ccccc3F)n2)nnc1[C@H]1COc2ccccc2O1 590450290 SWZPUJLJKUBYBP-HXUWFJFHSA-N 466.563 5.532 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)n2)cc1 594362873 CLFHMLVIDJQKRV-QHCPKHFHSA-N 488.590 5.283 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)cc1C 594668404 UHNIOSNMBILHJR-DIBLIPFTSA-N 493.655 5.063 30 20 JKED CCOC(=O)c1sc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c(C#N)c1C 603444780 YXVVYHZWIJWOHL-UHFFFAOYSA-N 488.572 5.182 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)c2)c1 603642218 APSFHOKVEZVFBI-UHFFFAOYSA-N 475.957 5.374 30 20 JKED N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 603976728 SJUKIUULVCRAJU-UHFFFAOYSA-N 453.829 5.219 30 20 JKED CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)ccc21 603987953 UDTCKGRVGGLXIW-UHFFFAOYSA-N 481.961 5.104 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N3N=C(c4ccco4)C[C@@H]3c3cccs3)c2)c1 604007126 OGQXQCACZZXAEG-XMMPIXPASA-N 482.565 5.582 30 20 JKED CC(C)C[C@H](C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 608822411 IWKQOKBONHKILS-OAHLLOKOSA-N 454.427 5.054 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 609061215 VWVHRQOIKGSXKZ-RUZDIDTESA-N 497.595 5.092 30 20 JKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609070484 FLZCCTOYGANVTQ-UHFFFAOYSA-N 486.355 5.528 30 20 JKED CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609163886 BSWLWDHTLWRWBG-CTNGQTDRSA-N 467.978 5.079 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1 609432770 RMDNTZDXWYLILM-NRFANRHFSA-N 477.630 5.019 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1 609432772 RMDNTZDXWYLILM-OAQYLSRUSA-N 477.630 5.019 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc2)c1 609434317 TXYVOTBPXFUZNZ-UHFFFAOYSA-N 475.936 5.282 30 20 JKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609435114 QLVHMISXYFHFNY-HXUWFJFHSA-N 475.614 6.332 30 20 JKED C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1[C@@H]1COc2ccccc2O1 612653221 WYOMQSGRMACBGP-FQEVSTJZSA-N 466.950 5.577 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(OC(F)F)cc1 616383234 OOSQEGZNUJNFTC-SECBINFHSA-N 470.316 5.142 30 20 JKED C[C@H](COc1ccccc1C(F)(F)F)NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619385907 SLBABEWRXTYIBH-IJLUTSLNSA-N 480.371 5.681 30 20 JKED O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(F)c(C(F)(F)F)c(F)c1 622560814 LSRTWWZJXHIYPE-UHFFFAOYSA-N 453.329 5.438 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)Nc1cccc(C)c1C)C(C)C 639394217 HPVOBKMAFVHWOM-HSZRJFAPSA-N 468.598 5.554 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CC[C@@H](C)OC)C1=O 726394077 SNEOPNRSRNJUDI-KOSHJBKYSA-N 491.613 5.234 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C#N)c(Cl)c1 726409204 PILZNSJQWJHSON-IBGZPJMESA-N 458.946 5.111 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)c(F)c1 726412901 UPULUXMJZMTYQN-IBGZPJMESA-N 497.514 5.614 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@H](C)c1cccs1 726421012 NPRQRGRVPKKPPH-QPHCSXNPSA-N 486.594 5.082 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)Cc1ccco1)c1cccs1 726422532 XBFDDWXSDDPCRO-VFDFWEJISA-N 467.616 5.362 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)cc1Cl 726570702 ISFSNWLGTOOPDD-UHFFFAOYSA-O 487.048 6.190 30 20 JKED O=C1/C(=C\c2cccnc2Cl)CN(CCc2ccccc2)C/C1=C\c1cccnc1Cl 728698840 PNYVHKMCUARVBY-BILXGNRESA-N 450.369 5.378 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)cc1 728777424 HRRCSQOUYKTMPI-QFIPXVFZSA-N 482.581 5.267 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCCCC#N)c1 728778951 WAROYQDLAFNMAA-IBGZPJMESA-N 489.428 5.956 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/Cc1cccc(C(F)(F)F)c1 728780678 WPWKNQYTGSSVQS-UJZDEDLLSA-N 488.535 5.228 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)cc1 729146607 UQNRWMWUTBATSA-NRFANRHFSA-N 489.626 5.046 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)n(C2CCCCC2)c1C 729780132 GCXZRKGTMWIXDK-UHFFFAOYSA-N 494.979 5.515 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(C2CCC2)C1=O 730463373 WSCKCPBBXQWJLO-FQEVSTJZSA-N 487.412 5.686 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F 730686055 CROZZSVATKRCKN-OAHLLOKOSA-N 466.296 5.441 30 20 JKED COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)sc2C)cc1 731060692 NLHOIJZZYOAIRB-INIZCTEOSA-N 480.611 5.922 30 20 JKED Cc1ccc(-n2ncc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2C(C)C)cc1 731073921 KJPIIBILFXBWQB-LJQANCHMSA-N 476.602 5.494 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](c1ccccc1)C1CC1 731311570 CASSCFVGWAGQID-RSXGOPAZSA-N 496.592 5.375 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)n1 742275652 GFIMQVNAFGLWBB-GFCCVEGCSA-N 469.589 5.330 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(C2CC2)C1=O 743523731 BXWZHTFARMPRQW-OAQYLSRUSA-N 455.555 5.046 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744936600 ULGUXSHEHJUVNN-ZDUSSCGKSA-N 460.342 5.477 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)ccc1S(=O)(=O)C(F)F 747065973 GPVNWIRKRZMXIH-CLFYSBASSA-N 452.475 5.455 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc(-c2ccccc2)cs1 747111185 AMJMVXWTHKJQSP-QGZVFWFLSA-N 470.406 6.659 30 20 JKED COc1cc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc2c1OCCO2 747155321 WJZWYDCCWDXFHO-MOSHPQCFSA-N 477.944 5.642 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc(Br)c1OC(F)F 750895058 DENOYQQBFWDOKE-FPYGCLRLSA-N 482.321 5.182 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)nnc1-c1ccc(C(C)(C)C)cc1 753101765 DMTUPHFFDIDOJO-SFHVURJKSA-N 488.657 5.701 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CC(F)(F)F)C2=O)c1 799214622 NFCFRGLPYJMMND-MRXNPFEDSA-N 489.878 5.010 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 825492542 DHZUCKPNERNYAL-QGZVFWFLSA-N 477.586 5.355 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@H](C)c3cccnc3)C2=O)c1 837301041 DXCOSICVVQEBQG-HYBUGGRVSA-N 472.614 5.728 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 914552772 JDEOSYASAANTBS-DVECYGJZSA-N 472.614 5.043 30 20 JKED N#C[C@H](C(=O)CCNC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103262 RKIOLIXZIXLMNK-CYBMUJFWSA-N 450.372 5.175 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S 915813360 FGONOWZEFJJHGU-IBGZPJMESA-N 451.596 5.810 30 20 JKED COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)cc1 916208924 AKLRXPNFJFDWAS-QHCPKHFHSA-N 495.551 5.176 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(C3CCCC3)C2=O)c1 916213048 XDDKGDOTRUWRRR-OAQYLSRUSA-N 488.009 5.260 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(OC)c3)C(=O)N2C2CCCC2)cc1 916213424 CRVXYUSAUBPJBS-HSZRJFAPSA-N 497.617 5.005 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C[C@H]1CCCO1 916215950 LZJXBMTUIQEGGL-ISKFKSNPSA-N 473.598 5.288 30 20 JKED N#CCOc1cccc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 916411078 ORJYAFOTVPVOEF-UHFFFAOYSA-N 475.614 5.018 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)CSc2nc(C)c(C)c(C)c2C#N)cs1 916538181 LEXVPDXMYTYTJQ-UHFFFAOYSA-N 494.642 5.418 30 20 JKED C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccc(OC)cc2)n(C[C@H]2CCCO2)c1=S 916567698 PJWBIMVGTCOAMB-LJQANCHMSA-N 491.082 5.629 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 916722549 ORFVKLAILHEVDZ-ZGPNMMCTSA-N 489.041 5.302 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1 916932627 ZZGSZZRQCQTAHU-HNNXBMFYSA-N 465.358 5.023 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)COc2ccc(C3SCCCS3)cc2)cc1 916953122 AKXCFIURLFKUFA-JTSKRJEESA-N 468.644 5.795 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1OC 916976428 OETGYAHAWZWLMV-SFHVURJKSA-N 496.013 6.023 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2sccc2Br)cs1 917560551 QRLAFXLJMUWSSE-DAXSKMNVSA-N 467.797 6.201 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)c1OC 917668879 JKLOLTJSFCJGDU-QHCPKHFHSA-N 489.597 5.173 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)OCc2ccccc2)cc1Cl 917673244 CNLXZXWXUNMRAC-QHCPKHFHSA-N 461.949 5.641 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc(Cl)c1 917679260 HHRQBKUXPRLPHM-QFIPXVFZSA-N 486.037 5.067 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1Cc1cccc(C)n1 917687198 NUTIAMLIHIZHNC-XMMPIXPASA-N 488.613 5.122 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C#N 917702212 DKQLTWOLWRLYGU-IBGZPJMESA-N 474.508 5.193 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917702687 IFSVKRLTCGENCA-OPAMFIHVSA-N 492.601 5.350 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC2CCC2)C1=O 917704555 MBXTYYYRPOOUCS-HSZRJFAPSA-N 476.602 5.107 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918548117 LRPFKIRZQOGVIB-SANMLTNESA-N 467.548 5.968 30 20 JKED N#CC(CCOC(=O)c1nc(NCc2ccco2)ncc1Cl)(c1ccccc1)c1ccccc1 919119584 YFRPJUORJKCFSY-UHFFFAOYSA-N 472.932 5.392 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 919811106 HBJJQYHOWRCXKD-UHFFFAOYSA-N 496.592 5.350 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1 920142746 WETSVRIONUAYGP-LJQANCHMSA-N 494.523 6.243 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccccc3Br)n2)cc1 920143224 UUIAUMWGMOFWKF-MRXNPFEDSA-N 468.401 5.803 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@@H]2CCc3cc(C)ccc32)C1=O 920170419 LNYIBTBWGPJSIG-MOPGFXCFSA-N 462.402 5.057 30 20 JKED CCOc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc3ccccc23)cc1 920352602 QNVXDXUZXQPKML-XMMPIXPASA-N 473.598 5.039 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)SC2=Nc2ccccc2)no1 920354696 GQGIZUUKZRAEDJ-GOSISDBHSA-N 489.384 5.450 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccc(F)c(F)c1 920358908 DAUQJEYGIMFYMP-JOCHJYFZSA-N 494.498 5.136 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 920797073 JIOPZYXFIDXXDK-UHFFFAOYSA-N 456.373 5.986 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920805929 HHHQEERDNANNDS-MRXNPFEDSA-N 482.537 5.251 30 20 JKED Cc1ccc(C(=O)N[C@@H](C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)C(C)C)cc1 920806775 POYDDICLEPNJBA-HRAATJIYSA-N 453.514 5.028 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)cc2C)C1 1781163584 LCYIXTIXPPCBBE-QRJOEMBSSA-N 479.448 5.198 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)F)no3)cc2)CCC1)c1ccccc1 1788307461 AIAWSTARDRGQES-OAQYLSRUSA-N 477.511 5.557 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)cc2)CCC1 1789229909 FLTXVVNBRDUARJ-UHFFFAOYSA-N 487.547 5.854 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(OC)c3)CCC2)cc1 1789492463 CITRRIOPCHXJDF-RUZDIDTESA-N 499.611 5.078 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc(C(F)(F)F)c1 1789576845 KNKKUOLAHTUMME-FJEPWZHXSA-N 499.489 5.174 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790520396 SSORXDGKZKFTSL-UHFFFAOYSA-N 497.526 5.448 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1C#N 1790708082 PQTMGIPBGQOPLC-UHFFFAOYSA-N 492.579 5.473 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)cn1C 1790785175 SIWJIRJKJGLDIZ-UHFFFAOYSA-N 480.490 5.286 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)c12 1790925642 JINXLRYIQONWCL-IBGZPJMESA-N 492.579 5.865 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnc(C)s3)CCC2)cc1)c1ccc(O)cc1 1791642775 SAWOPXUKOPYOGH-FQEVSTJZSA-N 473.598 5.102 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccco3)cc2)CCC1 1791909937 VFKWGRFGDRUHJJ-AUSIDOKSSA-N 495.620 5.062 30 20 JKED C=C(Oc1ccccc1O)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123936 UPGKGXXZVWWRKD-IBGZPJMESA-N 481.552 5.360 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)cccc1C(F)(F)F 1792169023 SCJFJIBMSUSQLO-UHFFFAOYSA-N 486.538 5.043 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCNC(=O)OC(C)(C)C)C2 1792574092 PWOCUGFOLKOJAJ-KOUNCHBCSA-N 477.690 5.092 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cccc(Cl)c12 1798244678 KXAFFNOQZQHAEU-REPLKXPHSA-N 470.089 5.124 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1 1799625232 OWOODKQUKJKAFU-BCDXTJNWSA-N 496.316 5.449 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)N(CC(C)C)CC(C)C 1801399789 COAVNCKWNADAIU-LLNGEMMXSA-N 479.709 5.174 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1c[nH]c3ccc(OCc4ccccc4)cc13)C2 1801642131 OJIXMVJVQCXRSL-OXCBMLQPSA-N 485.628 5.140 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Br)c3)CCCC1)C2 1802632601 KAPGIRKVRUUMEN-NUNAXRQHSA-N 485.466 5.093 30 20 JKED CC(C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1803220586 CYDJLAGVWSRCSD-GGRYPKIFSA-N 494.639 5.468 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)nc4ccccc24)C3)c1 1803678797 IETMJJNLUIAJPL-RZXSNQJFSA-N 472.976 5.081 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1804000272 OAGLRPPNXIGAMS-OUOHIEPJSA-N 499.577 5.812 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(Cl)ccc4F)C3)CC2)cc1C#N 1805140509 ZSRFQVUGKJPLRU-UHFFFAOYSA-N 497.998 5.297 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC4(CCN(C(=O)c5cccc([C@H](C)C#N)c5)CC4)C3)c[nH]2)cc1 1807425331 PESGBQYNRPXQFB-HSZRJFAPSA-N 494.639 5.776 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1809340333 FWFLKVUVOAMZGN-FBLLAGFSSA-N 474.630 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1809840072 PMXKKPRITCZOEF-YADARESESA-N 479.621 5.747 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1810175857 OMKTYUTYPHTOAC-OASJLCFRSA-N 463.597 5.018 30 20 JKED CCc1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1810271378 HESOTUMNDHCTFE-VPUSJEBWSA-N 475.709 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1810502651 KWRQJWOSUSRKQY-BWKNWUBXSA-N 481.612 5.320 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(OC)c2)[C@@H]1c1cccnc1 1810504107 XGUYWWUDPGPKCV-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C[C@H](CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1)c1ccccc1 1811749414 WKPCXTNABFAFGG-VQEMNGCCSA-N 487.003 5.120 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)[C@H]2c2cccnc2)c1 1811938940 BRPKHVAXEYWVCI-IGKIAQTJSA-N 496.611 5.072 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1812669675 ACCSZNICTYYWSV-XMSQKQJNSA-N 494.567 5.080 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1813227049 XUBDRKPHURXJSJ-GIGWZHCTSA-N 481.596 5.387 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC)cc2Cl)[C@@H]1c1cccnc1 1813904135 MTQPJCXHCQGZCS-XXBNENTESA-N 470.013 5.056 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2Br)[C@@H]1c1cccnc1 1813979955 GJARXSRRHXNMSE-XPIZARPCSA-N 490.829 5.029 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)[nH]n1 1814445253 GIMHJSCCULAVMH-QFIPXVFZSA-N 451.615 5.039 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c(Cl)c1 1814622657 XUPRCSBDELBIPJ-HXUWFJFHSA-N 486.334 5.347 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606489 NOJQXBLQQLBZSA-INIZCTEOSA-N 475.039 5.503 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[nH]n1 1819552501 OBUGUNVLLTVCHM-SJBKTWHCSA-N 452.574 5.337 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1Cl 1820220445 XMIBUIXLDBCOOE-LJQANCHMSA-N 493.354 5.080 30 20 JKED CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)c2ccccc12 1820547559 RWZDURXZCCTNNK-SANMLTNESA-N 492.583 5.120 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)c1 1820586257 PPCPSACHVXAYCB-JOCHJYFZSA-N 495.505 5.239 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c(Cl)c1 1821120995 HPTFQYIVRPWABJ-IBGZPJMESA-N 486.334 5.347 30 20 JKED CCCCCc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)ON=C(C)C)[nH]n2)cc1 1822284807 DPWHTBCRLZZLFB-GBXCKJPGSA-N 481.641 5.178 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[nH]n1 1822582692 UHHLGOURCGIIFW-XMSQKQJNSA-N 488.554 5.504 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212428 VIJUORRJQZJPFE-UZUQRXQVSA-N 487.604 5.855 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)c(C)c(OC)c2)n[nH]1 1823280894 PIGPNBLWUKIEKT-FQEVSTJZSA-N 468.598 5.034 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n[nH]1 1823301396 UDOXSONEWXKHFP-SCLBCKFNSA-N 452.452 5.086 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)CC2)C1 1823700613 GQCLFUGBZPWPKH-RUZDIDTESA-N 481.040 5.238 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)c(Br)c3)CC2)C1 1823701714 NUPQAIQLMDBVKD-HSZRJFAPSA-N 491.445 5.107 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1824510689 SQVFXBLDSOEJSI-KKSFZXQISA-N 486.962 5.183 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825437280 SHJOORIJLHUGQC-XMMPIXPASA-N 485.575 5.135 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccsc3)CC2)cc1C#N 1827105322 SHNPELCANSADHX-VWLOTQADSA-N 493.673 5.273 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1 1827331532 ONSPCIWZYCDTHX-RSXGOPAZSA-N 479.690 5.245 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683566 DNLIBELMYHZQTH-RQWLHQTBSA-N 485.049 5.382 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828152165 AAZMQRFFLHSCBP-PXDATVDWSA-N 468.041 5.823 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nc(CC)c2)CC1)c1ccccc1 1829032820 RBMOSGNJCWEKJD-WDYNHAJCSA-N 485.672 5.383 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)CC1 1829280777 QUOSAEKFGGARHB-IRLDBZIGSA-N 467.635 5.405 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705491 HOSSJSJECCLDSN-JIPXPUAJSA-N 493.623 5.527 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)CC1)c1ccccc1 1829803573 XJKSOAFGELGIPJ-AHWVRZQESA-N 475.633 5.229 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1830011253 CKNPKKAVRMRXBF-RUZDIDTESA-N 474.992 5.240 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c(C)c1 1830119083 NMKDARCCAGQYLN-RUZDIDTESA-N 480.008 5.076 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c(C)n1 1830755581 HWWCXINYLQCYFB-XMMPIXPASA-N 498.549 5.136 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2Cl)N(C)C)CC1 1831210271 PRXASKKKSXULBH-FTJBHMTQSA-N 486.100 5.331 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 1831316247 RZZLUYKEUBXEQT-QHCPKHFHSA-N 456.030 5.075 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1)C(F)(F)F 1831453538 CNMYLLCRKPKDQA-IBGZPJMESA-N 467.919 5.173 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCc2ccc(F)c(Br)c2)CC1 1831861575 UTUBCLMKKJPMND-QHCPKHFHSA-N 493.461 5.497 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c[nH]c2c1 1832961077 AXKHKNPAYWAFNN-LKXQCNMVSA-N 480.612 5.295 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C(C)(C)C)s3)CC2)CC1 1835228057 YYBRDHRFLLVOAY-UHFFFAOYSA-N 473.727 5.223 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(C(F)(F)F)nc4ccccc34)C2)c1 1844124692 HGROPGKZJOBFMW-QGZVFWFLSA-N 492.501 5.011 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCCC12CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2 1847095837 BQSANKPPKQBNKF-QHCPKHFHSA-N 495.664 5.205 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2cc(Br)ccc2s1 1847532045 TZQZRQMHFJCUDM-OALUTQOASA-N 473.436 5.248 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(CC)cc2)c1C 10172708 CXLUROMEZDHLOL-UHFFFAOYSA-O 478.638 5.326 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1cccc(O)c1)c1ccc2c(c1)CCC2 10174188 WVDFMZVOKUSUQI-UHFFFAOYSA-O 473.496 5.118 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccccc2CC)c1C 10174884 LHPMSSBBRLCGMP-UHFFFAOYSA-O 478.638 5.271 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 11249213 DMACGABAWIBDTM-UHFFFAOYSA-O 487.595 6.511 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1-c1ccc(Cl)cc1Cl 14070368 ZKUCOCFYLVMPPV-UHFFFAOYSA-N 499.221 5.326 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3C2)nnc1-c1ccc(C(C)(C)C)cc1 14266343 MNVZGLFHICPRQN-UHFFFAOYSA-N 452.649 5.167 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)cc1 15029706 KKIJWWWMZFUUNF-UHFFFAOYSA-N 461.497 5.009 30 20 JKED C=CCn1c(SC[C@H](O)COCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 15241474 NBPRCKNBNCHCPU-GOSISDBHSA-N 494.842 5.217 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247874 MCRILQAHNLLBAV-UHFFFAOYSA-O 478.852 6.938 30 20 JKED C=CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 17652910 OXEXBYVPGPIGFV-OAQYLSRUSA-N 461.612 5.233 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 19164695 HVMHXKLDEUZLDC-UHFFFAOYSA-N 457.873 5.329 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)n(Cc2ccco2)c1C 20048464 ZMGRWVVBMHRBLT-UHFFFAOYSA-N 477.615 5.232 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2CC)nc2sc3c(c2c1=O)CCCC3 23404715 GUEJZYQWAHGEKF-HNNXBMFYSA-N 453.633 5.205 30 20 JKED C=CCn1c(SCc2cc(=O)oc3c(C)c(O)ccc23)nnc1-c1ccc(Br)cc1 23525355 LLOVDXIDFHIROE-UHFFFAOYSA-N 484.375 5.306 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccc(F)cc1 24014728 OGMUVHVECSDZAV-HNNXBMFYSA-N 495.605 5.522 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnco3)c2)c1 24743103 XWKGJEGLGUWEBP-UHFFFAOYSA-N 494.960 5.024 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2OC)cc1 29201536 FNWARRCTPPHPFL-UHFFFAOYSA-N 497.555 5.116 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 30872789 QHZWYAVIKOOQMH-UHFFFAOYSA-N 453.502 5.272 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2cccc3ccccc23)nnc1-c1ccccc1OC 36802360 JXZZGNHULHQARP-UHFFFAOYSA-N 458.587 5.438 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OCCCC#N)c2)c1 68731155 ZYLUIVJWMLNOLP-UHFFFAOYSA-N 482.540 5.491 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 69627209 JIFXSUQXLUYPBD-HSZRJFAPSA-N 482.005 5.278 30 20 JKED C=CCN(C(=O)CN1CCC(OCC)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 108723161 IDNFYMXYYQQATK-UHFFFAOYSA-N 454.423 5.137 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1 115498014 RKGWOMPFNNCLBZ-UHFFFAOYSA-N 493.397 5.291 30 20 JKED Cc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1F 195580384 UZUBHRVJWBQLSN-QGZVFWFLSA-N 466.925 5.770 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 195696820 BRDYYSJLWWZLPW-DOTOQJQBSA-N 458.942 5.681 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 195722226 YFWRNULVFOCEKR-FQEVSTJZSA-N 457.386 5.140 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4C(F)(F)F)c(F)c3)cc2)c1N 303190656 WOARNAOVJGJORG-UHFFFAOYSA-N 481.409 5.529 30 20 JKED Cc1ccc(-c2c(C)sc3nc(/C(Cl)=C\c4ccc(O[C@H](C)C#N)cc4)nc(O)c23)cc1 303218299 RCBLOAOWOBFEQB-RVZJCZPVSA-N 461.974 6.709 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 409571294 PWEUJHXKTJUSFX-INIZCTEOSA-N 474.374 5.174 30 20 JKED CC(=O)CCc1ccc(OCCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 476657296 UCQVOTMMSUSIIV-UHFFFAOYSA-N 458.533 5.530 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 478530650 SFPMAYDOGZBZJT-UHFFFAOYSA-N 483.549 5.190 30 20 JKED C[C@H](c1ccc(Cl)cc1)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 489040534 UYASHTIQAJFFGL-MRXNPFEDSA-N 464.953 5.428 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 490747705 ULSHNJXEBRTNMA-IQGLISFBSA-N 459.521 5.230 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc(Oc4cccc(F)c4)nc3)s2)cc1 502695130 QSNVPCMXVXJKTA-UHFFFAOYSA-N 492.561 5.350 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)nnc1-c1cccnc1 503754044 XYQYYZRKHZKYBS-ZDUSSCGKSA-N 478.628 5.818 30 20 JKED C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@@H]2CCSc3ccc(Br)cc32)c1 510376641 LKWURDLLCCYIEC-LJQANCHMSA-N 475.408 5.038 30 20 JKED CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@@H](C)c1cc2ccccc2o1 510641753 UGODXSYQVPWXAF-SFHVURJKSA-N 452.514 6.172 30 20 JKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1 511436344 BTVBOPNMVYJECY-XMMPIXPASA-N 470.529 5.015 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511789654 GIFNXWNUPXVGNV-UHFFFAOYSA-N 455.558 5.456 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 512858017 UNLGSPZGIMPPFI-VWLOTQADSA-N 469.541 5.301 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccccc2NC(=O)c2cccc(Br)c2)nc2ccccc21 513655224 PBEXVUFCABMBAU-SFHVURJKSA-N 473.330 5.078 30 20 JKED CC(C)[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(C2CCCCC2)cc1 515763930 DOXTWTAHJWRBNK-AREMUKBSSA-N 452.620 5.034 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2Cl)cc1 515795708 CAPKFJGCCZUFLH-UHFFFAOYSA-N 464.909 5.023 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)cc1 515797337 VPRZEVYWYJOILT-UHFFFAOYSA-N 485.975 5.615 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(OCC(F)(F)F)cc1 516345596 YKGBBTTYCMADAM-MRXNPFEDSA-N 483.446 5.108 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 516418518 MPMMMFUIPVOEBR-UHFFFAOYSA-N 453.926 5.099 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)c(C)c1Cl 516713889 MKELOFMFPGKZKS-FQEVSTJZSA-N 457.946 5.628 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(SC)cc1 518256331 BCYCQFSUQPNVTP-HSZRJFAPSA-N 461.543 5.498 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 518652174 BRAQYUIWZAHHLG-KRWDZBQOSA-N 483.622 6.018 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 518874460 DJPPWVHAMBFOEW-VWLOTQADSA-N 457.530 5.572 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 523795555 YIBDPYZPAXBDJX-RUZDIDTESA-N 460.553 5.229 30 20 JKED Cc1sc2ncnc(SCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2c1C 524127808 MTUUQZADNPRORR-UHFFFAOYSA-N 460.584 5.490 30 20 JKED CC(C)c1ccc([C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c2cccs2)cc1 524442877 IVEJSQNVCHDOIH-MHZLTWQESA-N 459.615 5.804 30 20 JKED C=CCc1cc(CNC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc(OC)c1OC 588291604 DDJHJSWJUJHZSO-HXUWFJFHSA-N 496.995 5.225 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 589757809 JRTIHYNQSOJQSN-XHBSWPGZSA-N 476.820 5.472 30 20 JKED Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1NC(=O)c1ccccc1F 603637986 WFQOPFHNUQSNCW-UHFFFAOYSA-N 466.472 5.698 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 603967104 YXOMCMHBAWSRDI-KRWDZBQOSA-N 499.976 5.121 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 604000853 KHHDQCPPMLIZKY-UHFFFAOYSA-N 464.909 5.028 30 20 JKED CN(Cc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CCCCC1 604024402 BOWPZNKFPJWLBL-UHFFFAOYSA-N 451.514 5.142 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1Cl 604130850 CXELQFXMAZKGSK-OAQYLSRUSA-N 485.893 5.312 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 604478168 HCFPFQQBPXRZBS-HXUWFJFHSA-N 475.376 5.279 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(OCC(F)F)c2)cc1 608843381 LBORFLHRVQCIFL-UHFFFAOYSA-N 453.464 5.253 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 609079253 RFTMWAQCLRSNOJ-UHFFFAOYSA-N 491.551 5.415 30 20 JKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 609079494 DXCUCOBDXHUVGZ-UHFFFAOYSA-N 462.594 5.139 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)c(OC)c1 609128701 UFQYAQXANPJMPO-UHFFFAOYSA-N 472.541 5.396 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Br)o1 609377575 XUUXMRPIJIDJNQ-HNNXBMFYSA-N 470.392 5.927 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 609437834 SWQCQUULUOFKKI-GAJHUEQPSA-N 463.990 5.579 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)nnc1-c1ccoc1C 613908269 SRBUXOVCZYFKHH-HXUWFJFHSA-N 456.587 5.557 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nnc1-c1ccncc1 614508175 SSWMWHDZETYVQF-UHFFFAOYSA-N 466.567 5.099 30 20 JKED CC(=O)N(c1nc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cs1)c1ccccc1F 618498282 YBDNXDJKEOIAHB-CHWSQXEVSA-N 469.426 5.530 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1ccc(Br)cc1 619149411 YDUYELNTCFYHHS-AWEZNQCLSA-N 489.464 5.735 30 20 JKED N#C[C@@H](C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281565 KDCKMNCOYBAWHY-KRWDZBQOSA-N 484.364 5.256 30 20 JKED O=C(Nc1ccc(OCC(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642470281 JILGCDJSSLVSNF-NXEZZACHSA-N 452.317 5.659 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1[C@@H]1COc2ccccc2O1 645079272 NYMOWDDCDSOZDC-VGSWGCGISA-N 464.591 5.221 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 726394547 VJWDSFFQTRCPMU-QRWLVFNGSA-N 494.444 5.056 30 20 JKED Cc1nc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)nc2ccccc12 726403068 YIFACEJEDBJRJE-HSZRJFAPSA-N 499.571 5.238 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 726571913 OJBIEKPTMCKPMR-UHFFFAOYSA-O 493.996 6.028 30 20 JKED CC(C)(C)c1nc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 726858360 JJKZXWGYONESGC-CQSZACIVSA-N 450.416 6.290 30 20 JKED COc1cc(-c2cc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)c3ccccc3n2)cc(OC)c1OC 727850163 SDMYUNWTOCBFMT-QHCPKHFHSA-N 471.488 5.061 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)c(C)n1-c1ccc(Cl)c(Cl)c1 728705565 ZBEXFGYQKDHYFO-UHFFFAOYSA-N 450.325 5.470 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCCCC#N)C1=O 728778179 CLWLXVDHPCWZSS-QHCPKHFHSA-N 495.048 5.791 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2CCCCC#N)c1 728780261 PAKYSDKOSFCHDE-QFIPXVFZSA-N 493.589 5.372 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O)NC1CC1 729144151 CEEUDVVYGYWSJA-FYYLOGMGSA-N 469.557 5.106 30 20 JKED Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 731062414 IOFDHDBPSMMISP-HNNXBMFYSA-N 451.573 5.166 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731303775 AWJUZZOCUBGZOR-CJAUYULYSA-N 496.592 5.662 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)CCc2ccco2)cc1 731305768 PAMJBMYCHCXNAL-WZONZLPQSA-N 477.586 5.275 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 731312704 OIQQPCBMNLSRFD-UUOWRZLLSA-N 488.613 5.632 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 742506310 GZXBOWVYAHWZNO-RUZDIDTESA-N 459.590 5.477 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1F 743524103 GRGJOJHQMMLZTR-SFHVURJKSA-N 467.488 5.523 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)c(C)c1 746697035 ZLNWJKLJSWQIRE-JOCHJYFZSA-N 489.588 5.359 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cscn3)C2=O)cc1Cl 747600038 MUCMRYDNKLXPPP-IBGZPJMESA-N 471.007 5.265 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 749049408 QWSQHMOLKMOXSZ-IBGZPJMESA-N 461.953 5.102 30 20 JKED Cc1cc(/C=C\C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)n1C1CCCCC1 749147446 MQTXDJDLYUTNGL-QXMHVHEDSA-N 458.606 5.372 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1=O 750916721 OTUSDMIOLPLFMC-BVGQSLNGSA-N 499.917 5.122 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3c(C)cccc3C(C)C)nc(O)c2C#N)cc1 824941082 IAHRXDNGFBBKQN-MRXNPFEDSA-N 462.575 5.281 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1Cl 897690713 UOVQNTHNNVSXAQ-GFCCVEGCSA-N 496.420 5.515 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cs2)cc1 900271696 YTMXOAJVQCLOSH-AWEZNQCLSA-N 465.600 5.539 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(-n2cccn2)cc1 912851814 IRJJBWHHQHEDCV-XMMPIXPASA-N 472.545 5.340 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914537793 FJTUDQCYLIVXPV-INIZCTEOSA-N 481.615 5.172 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2cccs2)cc1 914694633 PZRANEJRGAETMR-KSFYIVLOSA-N 497.617 5.487 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 915086039 GYSBJTWMCSVHBD-HXUWFJFHSA-N 482.590 5.481 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2)cs1 915101054 BPJYWOCRUCYVOT-KRWDZBQOSA-N 459.905 5.128 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1 915199424 AZQADUGJHDYVPH-AUSIDOKSSA-N 474.358 5.096 30 20 JKED C[C@H](OC(=O)c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1C#N 915545756 RTFQNECQVGFYMD-INIZCTEOSA-N 479.330 5.084 30 20 JKED N#Cc1cccc(OCC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c1 916095929 PPOWOIHUBRRYDG-UHFFFAOYSA-N 451.360 5.026 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc(OC)c1OC 916137898 MUGKUJZRWKEXRK-ONNFQVAWSA-N 453.422 5.448 30 20 JKED O=C(O)CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1 916155292 RZCQJGLWZCIUEE-FPYGCLRLSA-N 484.140 5.057 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 916204430 FPOFZCCZMREDFM-QGZVFWFLSA-N 455.889 5.128 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccco3)C2=O)c1 916205557 PNVGEOFAJIYDNT-QFIPXVFZSA-N 463.559 5.066 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C[C@H]2CCCO2)C1=O)Nc1cccc2ccccc12 916207377 ZFHQMUBBGTVDJK-WZONZLPQSA-N 477.561 5.118 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O 916211362 MXQJFGWKVXMDCI-XMMPIXPASA-N 488.613 5.073 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 916211903 GVELHHBXWKYDDT-LJQANCHMSA-N 479.524 5.011 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(OC)cc1 916213568 DGVJPMZWXBIKSK-LJQANCHMSA-N 490.423 5.218 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)cc1 916214203 KTPNERYWIINRMD-DEOSSOPVSA-N 491.613 5.235 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cs1 916333369 KNYCOCFMIHLFCF-UHFFFAOYSA-N 489.413 5.564 30 20 JKED CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2[C@@H]2CCCO2)cc1 916366994 PLNIXOZCJGMWOI-QFIPXVFZSA-N 490.658 5.655 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2ncnc3sccc23)cc1OC 916543538 SASJTVDRTQSQFN-UHFFFAOYSA-N 470.558 5.066 30 20 JKED CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 916679454 OZPIRJJCWGEOPE-AREMUKBSSA-N 492.579 6.640 30 20 JKED Cn1c([C@H](C#N)C(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)nc2ccccc21 916845203 QJFSTLZLOAWUAJ-HXUWFJFHSA-N 487.357 5.007 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc(O)c2c3c(sc2n1)CCCC3 916847144 MJYPUZYOKCHBCJ-KAMXEHQASA-N 492.025 6.547 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 916892015 XCNRSUWBLJJNFJ-NRFANRHFSA-N 482.323 5.215 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 916924918 GZXNIGKVFLAXEP-GOSISDBHSA-N 485.371 5.085 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2ccc(C(C)(C)C)cc2)N=C1C 917616341 XTUJQHMAKRSEII-UHFFFAOYSA-O 490.693 6.713 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1C#N 917704095 SCMSGUKDXREPEG-SFHVURJKSA-N 493.803 5.665 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)COc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 917773074 NLVNWJADRUPYTO-HNNXBMFYSA-N 477.417 5.114 30 20 JKED O=C(Nc1ccccc1SC(F)(F)F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918267038 YDVKNDGXUZJRFP-MYJAWHEDSA-N 482.368 5.263 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 918630823 ZYXIVGULLUUUER-MHZLTWQESA-N 453.517 5.190 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1csc(-c2ccsc2)n1)C(=O)c1ccccc1 920066168 SREIDIVQTDLKRX-HZHRSRAPSA-N 472.635 6.901 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c(C)c1 920110164 ASJHPCPVXYRREU-IBGZPJMESA-N 457.313 5.743 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2cc(C)on2)C1=O 920355609 OJHKXDNSPPYRRL-OAQYLSRUSA-N 498.992 5.114 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2nc3ccccc3n2C)cs1 920373558 DXHPVAHXQRCHFP-UHFFFAOYSA-N 458.469 5.179 30 20 JKED N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc(-c2c(F)cccc2F)cs1 920806046 RRDXLVJRIGCVTJ-INIZCTEOSA-N 458.917 5.666 30 20 JKED CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807052 WVWMDGMZGVNKJV-LPHOPBHVSA-N 486.519 5.072 30 20 JKED C[C@@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1Br 920907982 PSKXKQGDGXFQRP-CQSZACIVSA-N 469.295 5.052 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 921130651 AZTKFMZETJJJMV-GFCCVEGCSA-N 470.790 6.101 30 20 JKED C[C@@H](OC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 926103181 OEWFQWIMYUZNDX-CQSZACIVSA-N 457.914 5.095 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2OCc2csc(C)n2)c1 926690567 PISZQRMAFDLOPS-LJQANCHMSA-N 477.586 5.140 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCC2)cc1 1785842369 ODAHBZZAONUMHU-GOSISDBHSA-N 457.615 5.026 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)cc1 1785880814 OUJSBGBORVVLSG-KAYWLYCHSA-N 479.580 5.047 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)cc1 1785882039 XOWBCKQQFZUEBK-UHFFFAOYSA-N 460.537 5.097 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)c1 1786040876 UITFQAQXHRMTDY-UHFFFAOYSA-N 468.582 5.253 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2)CCC1 1788446446 HWPOWKUVMYTUCY-UHFFFAOYSA-N 476.697 5.087 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccoc5c4)cc3)CCC2)c1 1788487266 UAEKSKZNFVKZEH-GOSISDBHSA-N 464.525 5.516 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nnsc4C4CC4)cc3)CCC2)c1 1788800489 GCYOBVADMCBWRQ-INIZCTEOSA-N 471.586 5.104 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CCC1 1790740644 FRRXELBLQNFXKF-UHFFFAOYSA-N 463.541 5.281 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Br)ccc4c3)cc2)CCC1 1790910768 YNFDZWCLVRGXGV-UHFFFAOYSA-N 477.362 5.049 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)CCC2)cc1 1791243976 HJPNDEKXBHTMPJ-DXIQSLLYSA-N 469.626 5.121 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C(F)(F)CC=C)cc2)CCC1 1791300223 JWTQCWZGABKPNX-FQEVSTJZSA-N 491.579 5.191 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)CCC2)c1 1791332345 CRBDFXNFAPSTKK-AWEZNQCLSA-N 464.780 5.432 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3Cl)CCC2)cc1 1791729013 ZHQIBUOCVDXUGM-UHFFFAOYSA-N 455.002 5.233 30 20 JKED C[C@@H](Cc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792126931 OLCRPCWAIHNEMD-LEWJYISDSA-N 466.585 5.335 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1 1792171637 VXSZLCRLUFMFAO-AMVVHIIESA-N 487.453 5.304 30 20 JKED COc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)c1F 1792200720 PDZARGVUGGHAOH-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1 1792240989 LTPNVEOYXSUQAE-SAABIXHNSA-N 454.558 5.408 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1798401213 DHNPLUDBDUAQFD-HKNOCEQDSA-N 495.664 5.544 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C2 1798421270 MZYQNLJYTAHSBZ-REPLKXPHSA-N 482.594 5.147 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1Cl 1800417405 XMNFALPLYKNXOX-MHORFTMASA-N 454.920 5.379 30 20 JKED CCSc1cccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800504879 ZUTBKHCYNNJMHI-OOSCYNTBSA-N 495.648 5.159 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1802497728 ZIRDZNZMGBDRHZ-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1802502383 IHEHIYQEXZRVHD-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1803418532 URAZOIYYBBCPRS-XRODADMRSA-N 463.647 5.037 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 1803524074 NCCDRRZNCRKITH-KOUNCHBCSA-N 484.518 5.716 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c[nH]1 1804865930 CVDRXQUESFJYAW-GJZUVCINSA-N 492.740 5.078 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1806684486 LZXHUBUULBFFAZ-ZEVJAHDQSA-N 466.025 5.142 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1808852042 BHFGADCUVODTOK-RADWXHQJSA-N 499.036 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809491990 VGMRORDNLRNFNI-PWKLLNGASA-N 471.601 5.539 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810414777 UTIHZAZGUKCUKQ-NVQXNPDNSA-N 493.623 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)cccc3[nH]2)[C@H]1c1cccnc1 1810499571 ZNDWQWVUKNHEBE-BWKNWUBXSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(C)s2)[C@@H]1c1cccnc1 1810502277 GPRKPRAHHINLIN-DYCBHTBMSA-N 451.636 5.163 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(Cl)cn3c2C)[C@H]1c1cccnc1 1812257756 YXEFVTSDUAYDBC-GBXCKJPGSA-N 494.039 5.003 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1)C(F)(F)F 1812682156 CTWDALRUPDBWLZ-HNAYVOBHSA-N 486.321 5.135 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)[C@H]1c1cccnc1 1813053319 TXIJJNFWPFXFRP-QCDSWUKFSA-N 490.607 5.124 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2OC)[C@@H]1c1cccnc1 1813912676 MSVIRNMWSRGISB-UGKGYDQZSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)[nH]n1 1814444137 VDPXHHQCHFJVEQ-QFIPXVFZSA-N 460.582 5.098 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)[nH]n2)c1 1814739670 ZZEMHJUNUNNCFP-AREMUKBSSA-N 494.599 5.020 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2ccc(Cl)c(F)c2)n[nH]1 1815149674 ISQFEZWUDIWQNZ-DYESRHJHSA-N 474.964 5.042 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2ccc(C(F)(F)F)cc2)n[nH]1 1815152253 PPKQTDAKYQEYJS-OAQYLSRUSA-N 474.527 5.247 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)[nH]n1 1815244094 XDYSVQAIAONULG-NFBKMPQASA-N 499.587 5.010 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1815246231 ZLONXIYKFYZHLA-YLJYHZDGSA-N 460.987 5.070 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1817098754 AAOHWLIWXCBWPK-OAHLLOKOSA-N 480.384 5.216 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3nn2)n[nH]1 1817934363 PDXRTOLATOWRFG-OAQYLSRUSA-N 481.000 5.305 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1818287879 DFWOPUHHAPNAAO-FQEVSTJZSA-N 499.493 5.140 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)[nH]n1 1819302375 DKCCOAMXANQCFV-LAUBAEHRSA-N 474.964 5.042 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)[nH]n1 1819311259 SIXWRRFQVNNDLJ-XLIONFOSSA-N 456.974 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1819555093 ZAQGDEUJRXTEDE-LJQANCHMSA-N 451.596 5.318 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1cccc(C(F)(F)F)c1F 1821088577 AVEIBBZHEDETOX-AWEZNQCLSA-N 492.395 5.216 30 20 JKED CC(C)[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821173019 DVXIPLOQHWSISQ-NYHFZMIOSA-N 494.642 5.065 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)[nH]n2)cc1 1821180117 VHKICQCDRHGJTJ-NRFANRHFSA-N 499.468 5.253 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(C)cc2Br)[nH]n1 1822582350 KZQCNGRSCLYNGS-HXUWFJFHSA-N 489.389 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)c3cccs3)n[nH]2)c1 1822709240 UQRLMCQRDCJINH-WWMYMODYSA-N 461.591 5.208 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823215809 GAYXWZMVPOEQFY-IIBYNOLFSA-N 491.979 5.318 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216220 DVDKTNNODONSRW-UUOWRZLLSA-N 473.552 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3sccc3Cl)[nH]n2)c1 1823217224 JHLPNVUNWXROAL-KUHUBIRLSA-N 467.982 5.371 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(C)c3F)CC2)C1 1823700010 HVACWQTUEXJWAN-OAQYLSRUSA-N 477.418 5.096 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1823753595 UZYPMPSSPZZIEM-PKTZIBPZSA-N 491.717 5.292 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1823755251 QABKRWNAFKLQPV-HSZRJFAPSA-N 493.614 5.645 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)c1 1823887595 LWIYKUGHPKKIHJ-JOCHJYFZSA-N 488.470 5.356 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1823888393 LKWCOCSJDAHWKC-NRFANRHFSA-N 467.997 5.383 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C)CC1 1824107223 YKQLVRWMMODQPC-DEOSSOPVSA-N 491.717 5.438 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)C)nn2CC)CC1 1824144091 ZFTHXCYVCWMICZ-XMMPIXPASA-N 454.659 5.028 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824810287 MLRUKNQBVSXVKA-DEOSSOPVSA-N 484.681 5.249 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@]23CN(Cc2ccccc2)C[C@H]3C)CC1 1824812654 VYIMKKHMDAILHA-YBXPBZDNSA-N 491.720 5.121 30 20 JKED CCc1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1825518118 XNXDXULGTHDZCZ-XMMPIXPASA-N 498.549 5.082 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)CC1 1827263687 SBVDQZLLIOQQLC-SANMLTNESA-N 495.067 5.465 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828358114 FJMNUEHJSALUKQ-FUCFDFLFSA-N 489.660 5.578 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1828905719 XFWJVMKRCMPUGD-DEOSSOPVSA-N 472.771 5.352 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)n(C)c2C)CC1)c1ccccc1 1829033685 ZIEBHVROHWGZFD-IAPPQJPRSA-N 473.661 5.072 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)CC1 1829068970 BAIGJKSUGACLRQ-VZVHPENPSA-N 466.691 5.486 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829069040 GXJSHFXSTDGIEE-HXUWFJFHSA-N 466.453 5.614 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2c(C)cccc2C)CC1 1829100607 TXENDRCTKYWLPN-OAQYLSRUSA-N 464.622 5.227 30 20 JKED CC(C)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CCC1 1829693223 XKXUICVWOBLDKY-JOCHJYFZSA-N 456.030 5.271 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC=C(C)C)CC1)c1ccc(O)cc1 1830258892 LLOWQJRVASFHNY-AHKZPQOWSA-N 464.650 5.255 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471918 QHADFHJCBGCBBH-XXBNENTESA-N 492.060 5.161 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1831370883 QWCRGPDBGRJXEO-AMGIVPHBSA-N 459.634 5.503 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(N(C)C)cc2)CC1 1832056023 WVGMMGLHXKJBMY-SVBPBHIXSA-N 465.682 5.073 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3cccc(Cl)c3)CC2)c1 1832630138 ZYFXZUANQFALME-RXFWQSSRSA-N 494.035 5.279 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1832632413 PLRICFCGTVDAPK-PPHZAIPVSA-N 486.591 5.481 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 1832633502 HZRUFXBVEJEUTG-UUOWRZLLSA-N 481.999 5.653 30 20 JKED COc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832634145 IIZFWZPWWKCXBW-DWACAAAGSA-N 487.644 5.188 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635727 PYFDKYDWFMXUAF-RXFWQSSRSA-N 461.581 5.308 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CCC1 1832784996 ASWWMNZCZDMHQG-LJQANCHMSA-N 466.384 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(F)c(Br)cc2Cl)C1 1845343477 CRDMODZEILGPSZ-UHFFFAOYSA-N 471.798 5.051 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C(F)(F)F)nc2ccccc12 1847264461 HFBRDHRYJJEGQW-PMACEKPBSA-N 459.512 5.061 30 20 JKED O=C[C@@H](Oc1ccccc1)c1cc([C@H](C=O)Oc2ccccc2)cc([C@H](C=O)Oc2ccccc2)c1 2048532651 ABLGISRFGRXNOQ-OIFRRMEBSA-N 480.516 5.644 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2cccc3ccccc23)[n+]2ccc(N(C)C)cc2)c(C)n1C 11126684 FPFSAUOZDXJPDE-UHFFFAOYSA-O 457.623 5.200 30 20 JKED Cc1oc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)c(C#N)c1C 11413355 UMZJHQIMAJARHV-SFQUDFHCSA-N 483.549 5.660 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc(SCc3csc(C)n3)cc2)c1 11699431 KYFDXMFLPAITIY-UHFFFAOYSA-N 479.627 5.464 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)c1 14872010 KERYTDMXEGKZPK-UHFFFAOYSA-O 450.027 6.120 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1 14872191 ALQLXKUHRQJJCH-UHFFFAOYSA-O 484.472 6.773 30 20 JKED N#Cc1ccc(OC[C@@H](O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)cc1 15237458 FTJGOLYBLLYHFE-QGZVFWFLSA-N 480.952 5.130 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Cl 21465608 GKVSEHAFNNRZKT-UHFFFAOYSA-N 458.012 5.162 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nc2sc3c(c2c1=O)CCC3 23405468 NKTJOGPIYMRVOF-GDBMZVCRSA-N 471.673 5.039 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 23604161 QKZQGUQQUXCQHW-UHFFFAOYSA-O 454.619 5.869 30 20 JKED Cc1ccc(NC(=O)c2sc3nc(CSc4nc(C)cc(C)c4C#N)[nH]c(=O)c3c2C)c(C)c1 25068782 DSRYQUVXUJVPQC-UHFFFAOYSA-N 489.626 5.338 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 25116023 WYDRQESUUZVDSV-UHFFFAOYSA-N 472.401 5.060 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)c2ccccn2)cc1OCC 25363530 JEBPWLLMWWOXEH-QHCPKHFHSA-N 453.380 5.687 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)n(-c2ccc(F)cc2)c1C 26276802 BMVVDISLBGHKRY-UHFFFAOYSA-N 492.507 5.163 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 28793803 AFPJVVACYDFHTA-UHFFFAOYSA-O 496.628 5.547 30 20 JKED COc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C(=O)N2CCCCC2)cc1OC 32243138 XIPBOUXHQGHOII-UHFFFAOYSA-N 499.567 5.033 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C2CCCC2)c1 108395021 QOAGRUSHNMISHY-HSZRJFAPSA-N 473.038 5.516 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)CC1 195559931 IZZXVDQIUKIPCH-UHFFFAOYSA-N 485.525 5.531 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cs1)c1ccc(F)cc1F 208896386 ONEOIGWIPLXSJI-OWBHPGMISA-N 490.531 6.581 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)cc1 303359599 GXSPAVNEIRCDQP-UHFFFAOYSA-N 472.376 5.657 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2Br)cc1Cl 484145314 RJSMMKCFNVXUBL-IBGZPJMESA-N 482.765 5.013 30 20 JKED Cc1oc2nc(SCC(=O)Nc3cc(Cl)ccc3C#N)nc(NC(=O)c3ccccc3)c2c1C 485097174 QKIAMADZZKCYNX-UHFFFAOYSA-N 491.960 5.348 30 20 JKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 485976253 LCUGHCQHBGUAQE-ILBGXUMGSA-N 459.977 5.934 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 487361437 XIWKVAIXWODYIJ-UHFFFAOYSA-N 481.002 5.855 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CSc3nc(C)c(C)c(C)c3C#N)c2)c1 489258130 VFWHNUFJVKJZQY-UHFFFAOYSA-N 473.602 5.239 30 20 JKED Cc1ccc(Cc2cnc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)s2)cc1Cl 498320829 WXWDEDGOVAPQLE-UHFFFAOYSA-N 474.007 5.026 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 499028086 WHEDXLFBCNMGHO-HSZRJFAPSA-N 470.356 5.117 30 20 JKED C=CCc1ccccc1OC[C@H](O)COc1ccc(NC(=O)c2ccccc2Br)cc1 506316183 SXVBDNOKRFVSPR-HXUWFJFHSA-N 482.374 5.249 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cc(Br)cs2)cc1 508241815 KDOVJNIYBDIERF-UHFFFAOYSA-N 472.364 5.847 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)[C@H](C)c1ccc(C#N)cc1 509575713 QJIKEVUUQCZULC-GOSISDBHSA-N 490.401 5.725 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1Cl 510005789 PHBCKWNOQDPQMR-DEOSSOPVSA-N 490.966 5.561 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1Cl 512957504 QJWKJSLHXHORHF-CQSZACIVSA-N 463.390 5.469 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516713888 MINAWYWMBFCXPA-LJQANCHMSA-N 474.542 5.655 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccco1 517449396 QXRAJAMDHBNXFC-INIZCTEOSA-N 455.609 5.319 30 20 JKED Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 518140455 RTQBYRQKHVMZFW-MRXNPFEDSA-N 483.590 5.439 30 20 JKED CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)c1C 518175435 XBSYXBZFSAVNGP-UHFFFAOYSA-N 450.498 5.148 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 518202222 NUWZCCDLJHHPEO-RUZDIDTESA-N 499.998 5.364 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 518260630 PGMCFYUCSITVEO-HOTGVXAUSA-N 450.589 5.020 30 20 JKED O=C(c1ccccc1F)N1CCC(NCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 518266423 XOFUTKLGHSJZNA-HXUWFJFHSA-N 478.408 5.092 30 20 JKED Cc1cc(COc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2Br)on1 519134974 WUOANCCKEFFPBV-UHFFFAOYSA-N 468.351 5.247 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cccs2)cc1 519440610 ODGVFQVQFQOJFC-UUOWRZLLSA-N 477.655 5.968 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Br 519515398 GXJCFXHTUUKVTR-CYBMUJFWSA-N 453.789 5.904 30 20 JKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1S[C@H](C)CC#N 519515688 ROQFBSFLHNWKPI-OLZOCXBDSA-N 453.789 5.903 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCOc2cccc(Cl)c2Cl)cc1C 519942216 JGSANMOGAUAWHW-UHFFFAOYSA-N 457.361 5.196 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520197277 BRMRVEDUSAXXDF-UHFFFAOYSA-N 451.530 5.837 30 20 JKED C=CCc1ccc(OCC(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(F)c2)c(OC)c1 520502471 AUMDHLOVHGYKNO-SANMLTNESA-N 452.501 5.114 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1 520855381 KYEXFOKEJPDNCF-IBGZPJMESA-N 458.587 5.821 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nnn(-c4ccc(F)c(Cl)c4)c3C)n2)cc1 521303981 PEUNABWWFAJYPC-INIZCTEOSA-N 451.914 5.290 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3oc4ccccc4c3c2)cc1[N+](=O)[O-] 521315151 QMRCZLYRAWOLSH-UHFFFAOYSA-N 481.468 5.532 30 20 JKED C=CCN(C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 521808041 ACYDJCKJCWLVIM-IBGZPJMESA-N 482.548 5.087 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 523372531 XQOAPAGNYXOFSS-OAQYLSRUSA-N 497.599 5.081 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 524438653 OXPXYUWKONMSPS-LJQANCHMSA-N 483.572 5.612 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 558368233 UAUHAVYFTKZZJY-UHFFFAOYSA-N 453.329 5.781 30 20 JKED N#Cc1ccc(N2CC[C@H](Sc3nnc(-c4ccc(Cl)cc4)n3Cc3ccccc3)C2=O)cc1 589716109 MLMZGZFPPQWFLZ-QHCPKHFHSA-N 486.000 5.416 30 20 JKED CC(C)(C)c1noc2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc12 590388749 QZRFAVJASYIRMN-HNNXBMFYSA-N 471.369 6.441 30 20 JKED N#Cc1ccccc1CSCCNCc1cc(Br)ccc1OCc1ccccn1 591658928 LUINOXPOLCWLQK-UHFFFAOYSA-N 468.420 5.318 30 20 JKED Cc1ccc(-n2nc(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c3c2CCC3)c(F)c1 593039828 UWMQXTRTPRHRNJ-STQMWFEESA-N 463.397 5.011 30 20 JKED Cn1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 602754827 BKDWJCPYSVDZBT-DEOSSOPVSA-N 473.458 5.749 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(CSc2ccccc2)cc1 603738785 OAQFWTLGZCSDLN-UHFFFAOYSA-N 451.551 6.599 30 20 JKED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 603976992 POGWRDATILABSV-HZPDHXFCSA-N 464.635 5.036 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 604139824 YHSLIBIGUSYPOQ-FYYLOGMGSA-N 466.368 5.855 30 20 JKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(F)cc1 604140474 JCLRYGQMNUMVCL-QFIPXVFZSA-N 460.509 5.117 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)COc1ccccc1C#N 604449406 PURYQAYOECJYIG-UHFFFAOYSA-N 453.420 5.155 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1Oc1ccccc1 608797673 PKZZCKJBMWJTTJ-LJQANCHMSA-N 478.508 5.354 30 20 JKED N#CCCCOc1cccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)c1 608861002 HGWQUNFHFRLFFP-XMMPIXPASA-N 453.355 6.150 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 608902180 HWQBECGMLGXSAM-UHFFFAOYSA-N 451.571 5.049 30 20 JKED C=C(C)COc1cccc(NC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 608946921 GCRMBVWOFUSMAE-QGZVFWFLSA-N 491.638 6.279 30 20 JKED N#Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)ccc1F 609102868 CDJWMYFVZRJNCN-UHFFFAOYSA-N 454.244 5.057 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3OCc3cscn3)cc2F)c1 609103957 LELIQAAPOAZSEM-UHFFFAOYSA-N 459.502 5.564 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609384652 DQWWNYDZBNIFSX-GFCCVEGCSA-N 461.431 6.027 30 20 JKED N#C[C@@H](C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613320254 VOGKIJUYMMTOMF-NRFANRHFSA-N 469.957 5.747 30 20 JKED Cc1cccn2cc(COc3ccccc3C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)nc12 642282440 RRSQPVWCFNLHAC-IBGZPJMESA-N 471.467 5.457 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NC23CC4CC(CC(C4)C2)C3)[n+]2cccc(C)c2)N=C1C 725762079 NNGKFDLBQKCFQV-UHFFFAOYSA-O 464.655 5.046 30 20 JKED Cc1ccc(-c2csc3nc(/C(Cl)=C/c4cccc(OCCCC#N)c4)nc(O)c23)s1 726743807 PNKGPYMKGUFSEE-PDGQHHTCSA-N 468.003 6.853 30 20 JKED COc1ccc(/C=C2/N=C(SC[C@H](C#N)CCC#N)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 726796797 GDJNCSDRGDHOGB-RHLNUJDMSA-N 480.977 5.278 30 20 JKED COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC 726938188 JVNRFGHEMWHEEX-UHFFFAOYSA-N 488.544 5.308 30 20 JKED CC(=O)N(c1nc(C=NNC(=S)Nc2ccccc2C(C)C)cs1)c1ccc(F)cc1F 727060990 DAMLDPXNTRVWTP-UHFFFAOYSA-N 473.574 5.550 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 727627294 MHKKKOYYCLXKBZ-DNVCBOLYSA-N 473.385 5.143 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(OCC#N)cc1 727650266 IHZSYPVTSCBBJH-VWLOTQADSA-N 498.608 5.312 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2Cl)c1 728121737 NQUGSKRVPLOLCS-UHFFFAOYSA-N 491.935 5.053 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 728389839 AXLRSYWETSXMCB-OAQYLSRUSA-N 476.939 5.124 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(CC(F)(F)F)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728698325 GQTIXQAFBKZQMW-RBPMZKDISA-N 495.501 5.182 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CCCCC#N 728776217 AGRIQZFSYWQZFU-LJQANCHMSA-N 489.428 5.956 30 20 JKED COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 729039167 KSTGWDPRXJFHID-HNNXBMFYSA-N 451.910 5.388 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)nc2)c1 729173653 QRKJYEXDNSHADW-UHFFFAOYSA-N 462.358 5.022 30 20 JKED CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729552820 MBNGOMQJAPDESR-YADHBBJMSA-N 483.490 5.264 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2-c2ccccc2)c(F)c1 729818330 PHQCGJFAEVAONA-RUZDIDTESA-N 498.583 5.165 30 20 JKED C#CCOc1ccccc1OC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 730510522 SDTDSAACORIWJV-INIZCTEOSA-N 476.579 5.303 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cnccn2)C(=O)N1[C@@H](c1ccccc1)C1CC1)c1cccs1 730729136 JFTZJICKDINYGS-AEWXJOIGSA-N 491.642 5.079 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 730943280 BFAHHNHHFLATDQ-YWZLYKJASA-N 499.423 6.110 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 731065998 JGEOGLWYJYHGQS-NLFFAJNJSA-N 498.608 5.428 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)sc2nc(C(F)(F)F)ccc12 731071959 XMYXOQZPGQZXMG-LBPRGKRZSA-N 493.532 5.813 30 20 JKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731075480 CAFVSTKJGQILCG-PKOBYXMFSA-N 452.576 5.081 30 20 JKED Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(C)n1-c1ccc(C#N)cc1 731195022 IWUOITNFCQUPJE-UHFFFAOYSA-N 467.554 5.226 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1ccco1 731303836 CASBFWKUZYWKGB-AVRDEDQJSA-N 477.586 5.194 30 20 JKED C[C@@H]1CCCC[C@H]1OCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731307827 VPKTYCJWNWDXRW-NLSFWIRASA-N 499.608 5.087 30 20 JKED Cc1ccc2c(c1)[C@@H](N1C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC1=Nc1ccccc1C#N)CC2 731311575 CBHRIZCREKHRKS-DQEYMECFSA-N 496.592 5.220 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(C3CCN(C(C)C)CC3)C2=O)cc1 743523802 DJVIMMVLWIUNNQ-XMMPIXPASA-N 496.652 5.276 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 745990679 HWIXUERJNZOTKS-UHFFFAOYSA-N 463.519 5.320 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 745990821 JKHRZBKSPLOTHE-RBUKOAKNSA-N 478.401 5.133 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3ccccc3)s2)cs1)c1ccc(F)cc1F 746013828 KXJIQVFRFNPZSQ-CSKARUKUSA-N 466.534 6.731 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCOC(C)(C)C)C2=O)c1 746697948 QLTIWTVACGMJRH-FQEVSTJZSA-N 490.025 5.124 30 20 JKED COc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1OCCCC#N 747357696 VAYTUMZZIQRQMG-UHFFFAOYSA-N 462.362 5.114 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3cscn3)C2=O)cc1 747598730 DEDIGQHFXSVUMS-LJQANCHMSA-N 488.997 5.405 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 799219276 OMGCUUGGWYOWBR-HNNXBMFYSA-N 459.852 5.002 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1C 800130721 ONXQDYQRQQFFBY-UHFFFAOYSA-N 471.380 5.155 30 20 JKED Cc1oc(NC(=O)COC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C#N)c1C 823578838 HPJDJJPCCURXJW-ARJAWSKDSA-N 460.330 5.001 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N 825325208 CXIUXUDHHKSEHK-IBGZPJMESA-N 485.565 5.210 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(CCc2ccccc2)Cc2ccc(C)s2)c1=S 836271689 NFXPJWHCXIHKIB-UHFFFAOYSA-N 461.660 5.734 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3cccnc3)C2=O)c1 838239412 WMJJQRGWKBOCSF-UZUQRXQVSA-N 492.576 5.259 30 20 JKED C[C@@H](SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 849191811 WQYMZGHGTHSQQY-HAFIMRKLSA-N 470.529 5.201 30 20 JKED Cn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc3ccccc3cc2c1=O 914527280 JFVLNXZLVVTCQL-FQEVSTJZSA-N 482.590 5.179 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccc(OC(C)C)cc2)C1=O 914538691 UQMGTJMZGKOTOH-LJQANCHMSA-N 493.601 5.056 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1F 914692134 VLDHCLCHQSHJOC-KKSFZXQISA-N 451.523 5.010 30 20 JKED N#C[C@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102486 UWDFILPDTVZFCO-MRXNPFEDSA-N 491.421 6.367 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915200109 VGONGKJKDKQXAA-BJKOFHAPSA-N 476.374 5.311 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(C[C@H]2CCCO2)C1=O 916205003 LSQNHVLVBVETMG-HYBUGGRVSA-N 495.645 5.232 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccco3)C2=O)cc1OC 916212407 VMNACCVREGZGCN-HSZRJFAPSA-N 493.585 5.074 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 916283811 UNJIABWLRRPEON-UHFFFAOYSA-N 473.989 5.522 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@@H](C)C2 916886099 DKJJNKMDGYZOKK-DWPOBHFWSA-N 472.513 5.084 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 916930573 JGDXKXBGSHRIEB-RDPSFJRHSA-N 464.974 5.519 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C/c3cccs3)n3nnnc3-c3ccccc3)n2)cc1 916974978 SYJFAHLAPLVCHH-VLDJDNEVSA-N 494.605 5.708 30 20 JKED CCCOc1ccc(Br)cc1C=Nn1c(S)nnc1-c1ccccc1OCC 917030018 RTWDFBOPQKFHKF-UHFFFAOYSA-N 461.385 5.066 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 917042276 AKIPGJZYDVVBDJ-IYNGYCSASA-N 456.367 6.103 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2cc(Cl)ccc2s1 917046703 MJFFDQAQJFWKPG-YOEHRIQHSA-N 478.788 5.738 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=Nn2c(S)nnc2-c2ccccc2Cl)cs1 917538731 NIGOMOXBNMLNRU-UHFFFAOYSA-N 472.958 5.050 30 20 JKED CC(C)c1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)c1 917635641 NCEDUYLRJHSNIX-KRWDZBQOSA-N 469.916 5.730 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccnc2)SC1=S 917644782 KWIVFHAWLBAKAN-NHDPSOOVSA-N 463.971 5.591 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2cccc(C)n2)C1=O 917670291 RAZWFCUWVWTBBX-DEOSSOPVSA-N 488.613 5.176 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(NC(=O)OC)c2)nnc1-c1ccc(Cl)cc1Cl 917706088 XJKKUIMYFWUWQN-UHFFFAOYSA-N 492.388 5.347 30 20 JKED C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 918646071 IUDHSPIHDBYVSK-UHFFFAOYSA-N 499.470 5.115 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O 920169421 FOUQEEDXBWTMNY-HXUWFJFHSA-N 497.573 5.054 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2cc(C)on2)C1=O 920354091 YSDAEHOQSREEPT-OAQYLSRUSA-N 498.992 5.114 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 920457478 QEQPAFGEXZWKIE-ODOSVJCGSA-N 469.541 5.206 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804742 XYBVVQNUEAKZED-HNNXBMFYSA-N 455.486 5.925 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)cc1 920806876 RUOKAXMSAFYPPP-QZTJIDSGSA-N 465.525 5.125 30 20 JKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=NNc3cnnc(O)c3Cl)ccc2c1 920826896 IPGAGOOALAZSAH-UHFFFAOYSA-N 470.920 5.296 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc3[nH]c(C)c(C)c3c2)C1=O 920827233 VRPBIGSWWSPHJX-XMMPIXPASA-N 470.598 5.206 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(NC(C)=O)cc3)CCC2)cc1 1785842162 RSTQACPMWAEBLW-UHFFFAOYSA-N 461.606 5.314 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)cc2)CCC1 1787725473 UHLJFNFCBFWPHV-INIZCTEOSA-N 477.388 5.097 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CCC2)cc1 1788029075 SSYBXYIHSSLVGD-TUACAJSNSA-N 464.654 5.009 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)Cc3cccs3)cc2)CCC1)NC(=O)OC(C)(C)C 1788232461 WPCRBYOXOSDQEH-OAQYLSRUSA-N 497.661 5.284 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(C)snc4s3)cc2)CCC1 1788416868 IPRZKEGFKQWSEH-UHFFFAOYSA-N 469.632 5.397 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](O)c3ccccc3Cl)CCC2)cc1 1789458314 WDNYYEQADKEENX-NFBKMPQASA-N 452.982 5.276 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1789468125 DVGVDUBIOYKTJY-JUWJPQTCSA-N 473.598 5.122 30 20 JKED COc1cscc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508065 IOSNHUJHQPDXOR-UHFFFAOYSA-N 468.695 5.556 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc4nccn4c3)CCC2)cc1)c1ccccc1 1789600620 QLDZGZATTGFMGO-SANMLTNESA-N 476.580 5.279 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)ccc1Br 1790345934 ZBKZCSYETKMRHS-UHFFFAOYSA-N 477.362 5.019 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1790568137 NNQOWTPXGNDADN-VSDWSMLSSA-N 467.997 5.379 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)ccc5c4OCO5)CCC3)cc2)cc1 1790707422 LDMKZMBDQGZQIO-UHFFFAOYSA-N 487.943 5.196 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccc(Cl)cc5nn4)CCC3)cc2)cc1 1790707772 QIQJUBQOFXMBMD-UHFFFAOYSA-N 495.970 5.411 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)c(OCC)c(Cl)c3)cc2)CCC1 1790724717 KHVRKUGXTNGZJT-MRXNPFEDSA-N 474.960 5.217 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc(Cl)c3O)cc2)CCC1 1790757682 XYXMEXDVUGTBCM-UHFFFAOYSA-N 477.388 5.430 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)[S@@](=O)c3ccccc3)cc2)CCC1 1791062118 UUFJMUAAYFIUIS-NLINSNCNSA-N 464.631 5.085 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(F)cc(OC)c3)cc2)CCC1)C(F)(F)F 1791496167 MERYQCBVNBUEHZ-RUDMXATFSA-N 462.443 5.100 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)CCC2)cc1 1791579903 QBOJRTAOYFQVLJ-VHKYSDTDSA-N 473.436 5.005 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)nc3)CCC2)cc1)c1ccc(O)cc1 1791641971 NBOSKKOFKOJAQX-VWLOTQADSA-N 495.623 5.360 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)nc3ccccc13)C2 1798419748 GMGQPNWRQALXED-ACDBMABISA-N 482.100 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@](C)(OC)c1cccc3ccccc13)C2 1798592150 HARYKDANQWLVAV-CPVANYHMSA-N 462.634 5.332 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)CC1 1805610291 IBDKAYNBTKTSRQ-YADHBBJMSA-N 456.577 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1807732380 HGPDGOKZTZYICF-IECBHUPTSA-N 495.048 5.433 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1)c1ccccc1 1809242517 DBCXYCTVZFKDBQ-UWPQIUOOSA-N 491.591 5.345 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2F)[C@@H]1c1cccnc1)c1ccccc1 1810448819 YGODRCRZFQANRN-PNIUZAESSA-N 483.587 5.046 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811140309 FZWDDEBPOFSGJV-CVDCTZTESA-N 491.941 5.267 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1811227409 AAOHXGYAKVGWDX-FRPAHBMMSA-N 487.003 5.304 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1811907293 IEAFZVILDVETOM-RCZVLFRGSA-N 482.100 5.106 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)s1 1813864705 BIGMRXPIDXMFRV-MQMJORGGSA-N 486.641 5.031 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n[nH]2)c1 1814372052 HLXIGFAJXBHQSI-JOCHJYFZSA-N 490.926 5.175 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCOc2ccc(F)cc2)[nH]n1 1814440247 QPURWWKTNRHYQO-OAQYLSRUSA-N 456.562 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)[nH]n1 1819302937 OWTFJRQIBOOZGO-SMRJSYMMSA-N 466.548 5.539 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)[nH]n1)c1ccccc1 1819521003 VPIVIQANBPQTTF-NZQKXSOJSA-N 473.577 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)[nH]n1 1819553347 CINBFPPCURHGAD-SFHVURJKSA-N 463.504 5.122 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115834 NILHPZAQOPOXQS-AUUYWEPGSA-N 479.631 5.244 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cncc4s3)[nH]n2)cc1 1820550540 XEBXMKRKIIRTPL-IBGZPJMESA-N 490.976 5.164 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821049151 YJJNEZUXJKKFJC-ZEQRLZLVSA-N 488.588 5.081 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc3ccc(Cl)cn3c2C)n[nH]1 1821564617 RBZZXPHEFMZIDE-UYAOXDASSA-N 481.000 5.094 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1 1821926104 IQXGTQSSJTYKIW-KNQAVFIVSA-N 454.640 5.246 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c1 1823217451 SVMZWNUEIONETF-IQGLISFBSA-N 467.573 5.534 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2OC)n[nH]1 1823254841 LLSXPMYQASGMLL-LJQANCHMSA-N 458.990 5.370 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)ccc(Cl)c3F)n[nH]2)cc1 1823274497 XMBYQKAAWSYHIC-IBGZPJMESA-N 483.906 5.027 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823681850 BFGPMSLFUMMHCK-AREMUKBSSA-N 489.660 5.623 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C2CC(F)(F)C2)CC1 1823853538 HHTOHEXLACSQKL-MHZLTWQESA-N 490.594 5.365 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1)C(F)(F)F 1825766674 ULGJUPRDBJDANU-HXUWFJFHSA-N 475.511 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3occc3Br)CC2)c1 1827770055 TWBBZYKMXPHFQK-VGSWGCGISA-N 498.421 5.216 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827779186 OEDMKXSNEVSMQJ-FQEVSTJZSA-N 489.529 5.533 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827996890 KGKNKRNGTSZGQG-MHZLTWQESA-N 466.585 5.049 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828188268 PALXPXQFTKHVIM-DEOSSOPVSA-N 474.988 5.371 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)nc2ccccc12 1828215879 OCVKMRBHWGQTMQ-NDEPHWFRSA-N 480.612 5.156 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1828776855 DQSLJBXTDITVMO-AVRDEDQJSA-N 467.660 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1828830133 LRZBPFFRHIWTQA-DNQXCXABSA-N 476.583 5.636 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)n1 1828904093 NTSQBIDWTHWHGE-QHCPKHFHSA-N 487.786 5.551 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1)c1ccccc1 1829029693 FFCQKPHROXEPHB-CLJLJLNGSA-N 484.631 5.629 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829140180 UWHYPLCGFQGTTD-LJQANCHMSA-N 453.549 5.259 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1829631133 AYDSXUZBIHHOBV-WAIKUNEKSA-N 489.994 5.612 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3F)CC2)c1 1829892260 QFWDWVWHFBBKHU-HOYKHHGWSA-N 465.544 5.139 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1830590496 JFPRBLBJNXZAOU-LJAQVGFWSA-N 498.671 5.290 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1830720787 GZRIZPUBBUKBGA-JTAQYXEDSA-N 493.545 5.299 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2noc3ccc(Br)cc23)CC1 1831376451 NQTAUIOCMOXLOM-OXQOHEQNSA-N 488.426 5.036 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1832026651 UMHAWIGISKQHJM-QHCPKHFHSA-N 480.546 5.200 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)CC1 1832027973 GWMSYQYLAWCKQP-SANMLTNESA-N 495.067 5.465 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C)c3Cl)CC2)c(C#N)c1 1832603562 QKHAQYMXAKNULC-RUZDIDTESA-N 494.035 5.005 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)oc2ccccc12 1832631868 IORGDEWETLOPGB-IBVKSMDESA-N 483.612 5.915 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1832632430 QELFXIXMKIDZPE-FRPAHBMMSA-N 489.582 5.465 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1C#N 1832703673 PATONYOJDSXVKF-VWLOTQADSA-N 494.035 5.546 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)c3ccccc3)CC2)cc1C#N 1832704579 OPBTWAVHBALIBE-AJTFRIOCSA-N 487.644 5.382 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)c1 1832709757 AIOCGLLEIYGVCH-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1832922726 UMDPKGPMWGRVJE-PKTZIBPZSA-N 491.717 5.292 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1833289502 UWCGYAGNABQAFR-QDPGVEIFSA-N 479.709 5.156 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)CC1 1838373600 YQFOVZYVXVNXNY-DNQXCXABSA-N 485.068 5.137 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc4c2oc2ccccc24)C3)c1 1846830437 MTGDBYWPURRNEP-LJQANCHMSA-N 463.537 5.344 30 20 JKED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1Oc1cccc2ccccc12 1847825708 GQJPVRKNHZKGBG-JCYRPKCISA-N 474.626 5.402 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2ccc(F)cc2)nc2scc(-c3cccs3)c2c1=O 9964612 GKENDAFOERXIPA-AWEZNQCLSA-N 485.631 5.309 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)no2)nc2scc(-c3ccc(C)cc3)c2c1=O 10921258 WQBLDTNUANHFHE-HNNXBMFYSA-N 466.588 5.035 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 10999182 ZKGXBRXIMOKCRO-UHFFFAOYSA-N 479.418 5.513 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(C)c2)cc1 11269319 HGSNRYXXZHGVJC-UHFFFAOYSA-O 453.578 6.515 30 20 JKED CCOCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1sccc1C)CC2(C)C 11396992 SVLWCDPHTDDWOW-VOTSOKGWSA-N 470.616 5.286 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccccc1OC 11810737 UITVSLRPGMZNPO-QGZVFWFLSA-N 483.663 5.443 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 22122273 UJPUCDYPENRVSQ-SFHVURJKSA-N 480.037 5.470 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(F)cc2F)cc1 22727297 OEHDVCBUGMTNHY-UHFFFAOYSA-O 459.607 6.577 30 20 JKED C=CCn1c(SCC(=O)OCc2coc(-c3cccs3)n2)nnc1-c1ccc(Cl)cc1 24880623 IJCMVHDBQNHMKG-UHFFFAOYSA-N 472.979 5.337 30 20 JKED C=CCOc1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 195703337 WVYDSPUMYPZZMA-UHFFFAOYSA-N 454.885 5.557 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccccc1F 218660517 MBFAWAITWKBNML-AWEZNQCLSA-N 462.953 5.202 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCN(c4ccccc4)C3)cc2Cl)c1 303214721 SJJADCABXJIBLM-OAQYLSRUSA-N 460.965 5.439 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N(Cc3ccc(Cl)cc3)C3CC3)cc2F)c1 480939882 QJQYJKFLGFSBID-UHFFFAOYSA-N 477.923 5.059 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 486274499 YNKCQRZECZUMAM-KKLQWCBXSA-N 478.618 5.115 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N(C)C)c2)nc2cc(-c3ccccc3)sc2c1=O 497668414 QUUVFNCWWDHNLG-UHFFFAOYSA-N 461.612 5.305 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 499707382 NGDXLPXQPSQLSW-MRXNPFEDSA-N 486.808 5.128 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501429786 ZIMXBXDDFKGIFL-UHFFFAOYSA-N 468.532 5.455 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 501528805 FIUXOGQAHXPDBK-UHFFFAOYSA-N 466.010 5.440 30 20 JKED Cc1cc([C@H](C#N)C(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)nc(C)n1 502674794 FARIJTHNLNYICD-HNNXBMFYSA-N 470.385 5.658 30 20 JKED CCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccc(OC)cc1 503579397 MQMFQOPRRSJEKP-DEOSSOPVSA-N 472.545 5.049 30 20 JKED C=CCn1c(SCc2noc(C(C)C)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 505847662 DIJBHRFLFRODIA-UHFFFAOYSA-N 456.568 5.557 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1ccc(Oc2ccccc2)nc1 507137793 DJBBHMFCZHCXNL-UHFFFAOYSA-N 478.508 5.101 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 508263969 GHTIZPNWTXXEFK-UHFFFAOYSA-N 466.541 6.252 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12 512781957 AKHHWZCJDITGGP-UHFFFAOYSA-N 469.541 5.694 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 515795828 JOZZBTWBVBGXSG-UHFFFAOYSA-N 467.569 5.767 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 516415506 YRUVNFNZFHDCQX-UHFFFAOYSA-N 453.926 5.099 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(NC(=O)c4cccnc4)cc3)cc2)c1 517528809 IKGSVXDSBIFPCN-UHFFFAOYSA-N 463.497 5.320 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3csc(C)n3)n2)cc1 517800667 AMTIESNFLKOQDR-FQEVSTJZSA-N 477.636 6.366 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 518556732 VRDBNZBHZDBDMM-UHFFFAOYSA-N 488.975 5.274 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2[N+](=O)[O-])n1 518643123 JKNPGBOLBINUFR-HNNXBMFYSA-N 479.568 5.520 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 518757040 UMWUTQFVDRHSSI-OXJNMPFZSA-N 475.536 5.792 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2ccncc2)nnc1-c1ccc(Cl)cc1 518977620 ISPNSTXLTHTBJG-HSZRJFAPSA-N 476.005 5.177 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 519508682 ZEGRMSVZEFUYBP-UHFFFAOYSA-N 460.578 5.352 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)no2)c1C#N 519885136 LNZIQGLYQKWVRR-UHFFFAOYSA-N 478.593 5.832 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 520141548 YLYXZVRXUDFCPU-UHFFFAOYSA-N 490.346 5.494 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 520200730 QNCWEOQXYRTZBS-VQIMIIECSA-N 450.589 5.525 30 20 JKED C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(F)cc1 520580185 HSYGWBXWOQUIKO-OAHLLOKOSA-N 451.885 5.001 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1)c1ccccc1 521475150 SDKYINOKMLARJL-SANMLTNESA-N 479.967 6.524 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1[N+](=O)[O-])c1ccccn1 521495186 ODSIHSVXINOGQT-GOSISDBHSA-N 479.496 6.079 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 521564465 ITRQOJCNZARWEK-UHFFFAOYSA-N 461.631 5.152 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc1-c1cccc(Cl)c1 524013282 IBMUTPFDCRIJAM-INIZCTEOSA-N 480.014 6.456 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 556929043 TTYASCYRRYHNMO-UHFFFAOYSA-N 454.313 5.334 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c([N+](=O)[O-])cc1OC(F)F 585704440 FGRAYIBNYCZFJO-LLVKDONJSA-N 479.505 5.541 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc([C@@H](C)OC)c2)c1 588825466 VOZBPLUTSVKZMV-GOSISDBHSA-N 485.005 5.681 30 20 JKED C=CCN(C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 596276860 GWZPUSJILFLLAS-UXHICEINSA-N 490.608 5.012 30 20 JKED C=CCN(C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 596361404 WDNZLKQRCAXNNG-IPVFLDMMSA-N 474.609 5.539 30 20 JKED N#Cc1c(NC(=O)c2cccnc2Oc2ccc(Br)cc2)sc2c1CCCC2 603637213 MICHBMUWLIFZDG-UHFFFAOYSA-N 454.349 5.701 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccnc3Oc3cccc(F)c3)cn2)cc1 603690167 XQNRIYIWLLATBU-UHFFFAOYSA-N 455.449 5.394 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 603969163 IYMVUTSFGUSOQJ-UHFFFAOYSA-N 483.936 5.993 30 20 JKED N#Cc1c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)sc2c1CCCCCC2 603996081 GWAHJLMVBGGKSO-UHFFFAOYSA-N 453.571 5.779 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1 604103529 XCTNZZMJXWYFGO-UHFFFAOYSA-N 454.364 5.172 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1Cl 604135488 OXUHMGVPHNNGLU-OZXSUGGESA-N 480.955 5.235 30 20 JKED CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604138859 PUTILUSXXFGMHD-GAJHUEQPSA-N 461.949 5.210 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 608942781 QHUXNVLJDUKPOR-UHFFFAOYSA-N 468.557 5.253 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 609080581 ORHSEOOSIHBHSB-OAHLLOKOSA-N 450.882 5.582 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)N(Cc3ccc(Cl)c(Cl)c3)Cc3ccccn3)CC2)nc1 609213145 YDMODTLBRNWNHL-UHFFFAOYSA-N 495.414 5.036 30 20 JKED N#CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CC3)CC1 609330319 ONBRBCJAVINDBL-HTXNQAPBSA-N 456.977 5.093 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)n2)cc1 613318248 SJNUPGRPVZSETB-HNNXBMFYSA-N 470.451 5.952 30 20 JKED CCCCN1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2C1=O 613403956 LUDFXZTZARPTPR-INIZCTEOSA-N 471.460 5.201 30 20 JKED C=CCN(C(=O)c1cccc(NC(C)=O)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891444 JOHHZFAUHSADDQ-UHFFFAOYSA-N 453.567 6.268 30 20 JKED C=CCn1c(SCC(=O)NCCCn2ccc3ccccc32)nnc1-c1ccc(Cl)cc1 641981974 ZXXZHLHZCLXCMH-UHFFFAOYSA-N 466.010 5.038 30 20 JKED CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)ccc1OCC(F)(F)F 725904186 GICQGMMXDMVCHR-VCHYOVAHSA-N 464.490 5.304 30 20 JKED C[C@H](OC(=O)c1csc(-c2c(F)cccc2F)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 726217699 ASNAAIKESMNVSW-LBPRGKRZSA-N 487.553 5.474 30 20 JKED Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1-c1ccc(Br)cc1 726324857 IBOPQLNUIWRIRU-IBGZPJMESA-N 487.382 5.940 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 726411704 NYGIIFLGHQXIJO-SBUREZEXSA-N 489.000 5.438 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(C2CC2)C1=O 726416408 VOSWUEDKFGNNCO-HSZRJFAPSA-N 481.618 5.385 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(C(C)C)cc2)cc1 726570195 WPKWVHUTTANQKE-UHFFFAOYSA-O 488.677 6.508 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)c(C)c(C)c2C)cc1 726571583 YECCGGBXNDDQAI-UHFFFAOYSA-O 463.026 6.365 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)Nc1ccc(OC(C)C)cc1 726574088 LKVSKNXCNZEHNY-UHFFFAOYSA-O 478.638 5.641 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1Cl 726892319 SWMAEERPNVADTN-AOMKIAJQSA-N 495.004 5.465 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727628707 WRQOIRHFYJFPQI-DYESRHJHSA-N 460.603 5.374 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H](c1ccccc1)N1CCOC1=O 728235870 XRUZLTNJTCPUIW-VWLOTQADSA-N 457.505 5.123 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc2F)c1 728391655 ASTPVEDHTNVJAK-UHFFFAOYSA-N 471.488 5.809 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)cc1 728412450 QTFDZQZZPLYZQG-ZRJLEYOISA-N 451.570 5.198 30 20 JKED CN(C[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1)C(=O)OC(C)(C)C 729558374 BIHIBXDNPYARHV-QFIPXVFZSA-N 478.593 5.052 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCC3)C2=O)cc1 730458534 AHWKEKVCLWJXHO-LJQANCHMSA-N 459.518 5.109 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CCC1)c1cccs1 730462299 MIMZIGZLWAVQIT-UCSUXRFJSA-N 492.464 5.453 30 20 JKED COc1cccc(-c2nc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)cs2)c1 730583847 MYPHEPZXVZJMLP-UHFFFAOYSA-N 492.413 5.467 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cocn2)C1=O)Nc1cc(Cl)cc(Cl)c1 730709490 TYYSGHAGJPUROC-GOSISDBHSA-N 493.347 5.281 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1 730717950 CSEWPQVZSDKIKA-DEOSSOPVSA-N 484.581 5.551 30 20 JKED Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)c1 731071336 XUCSRCZFYYXXIX-QGZVFWFLSA-N 465.600 5.237 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1 731306335 VJDIKBMKCVAUKS-NRFANRHFSA-N 465.600 5.177 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)o1 731307754 VGPWRROXUARCJT-AECOYVPUSA-N 493.560 5.408 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2C)cc1 731309496 WQMZKTLXBMLHBV-DEOSSOPVSA-N 489.597 5.178 30 20 JKED CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1F 731408013 ADXQMTKYOOUHIE-QFIPXVFZSA-N 492.982 5.236 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1Cl 744936198 OKJNIJWWPLDJNB-LBPRGKRZSA-N 480.760 5.740 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)cc2F)cc1 745584420 OUKQBBXUUTWHMA-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CN(C)c1ccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 746803457 YUHSCXHWAOWZKL-UHFFFAOYSA-N 474.380 5.045 30 20 JKED C=CCc1cc([C@H]2NC(=S)NC(c3cccs3)=C2c2nc3ccccc3[nH]2)cc(OC)c1O 747141669 XUEVOIJMHAQCKL-OAQYLSRUSA-N 474.611 5.154 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 748944662 JOPDRRIQDLHOKD-UHFFFAOYSA-N 491.400 5.210 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)c(S(C)(=O)=O)c3)c2C#N)C1 749112531 GMNSDYGMUDFYLN-ZDUSSCGKSA-N 495.464 5.189 30 20 JKED CC(=O)N(c1nc(/C=C2/COc3c(C)cc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 750908882 IMVUBKHAMCOANY-MLPAPPSSSA-N 460.889 5.726 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)ccc1OCC#N 799202916 GJHMJAAWFLPBRR-GZTJUZNOSA-N 464.540 5.318 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)c2cccnc2)C1=O 837743283 OGVNWSIJYMYHLK-ZHRRBRCNSA-N 496.995 5.904 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(-c2ccccc2Br)s1 912832196 YOUXTSMOCYGJPG-UHFFFAOYSA-N 463.426 5.031 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccc(OC(C)C)cc2)C1=O 914549696 ICNVLQZHOKBYPI-IBGZPJMESA-N 480.417 5.048 30 20 JKED Cc1nn(-c2ccc(F)cc2F)c(C)c1C=Nn1c(S)nnc1Cc1cccc2ccccc12 915944669 MABFOTOETVDWGL-UHFFFAOYSA-N 474.540 5.274 30 20 JKED Cc1ncc(CO)c(/C=N\C[C@@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)c1O 915980224 ZARJRONBHGLGHK-HIHCNUKRSA-N 476.429 5.175 30 20 JKED COc1c(Br)cc(Br)cc1/C=C1/SC(=Nc2c(C)cccc2C)NC1=O 916140994 UATQUEPFVTWOHM-OVCLIPMQSA-N 496.224 5.729 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(C3CCCC3)C2=O)c(OC)c1 916215437 VSBVCVVNLMNKAM-NRFANRHFSA-N 488.009 5.260 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 916215781 KESYKQZULADQIP-HXUWFJFHSA-N 493.551 5.401 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 916719579 FJFUKCONHXJNDT-AZPGRJICSA-N 494.617 5.107 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 916925040 FRDDCSPUXQDRSC-SFHVURJKSA-N 478.961 5.409 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916928368 JVWLVVXHTJLNGJ-UGKGYDQZSA-N 479.319 5.409 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1Cl 916932173 RRAWKWMXVAUXBX-SFHVURJKSA-N 489.790 5.648 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(Br)ccc1F)C(=O)Nc1cc(Cl)cc(Cl)c1 916941919 BWEJARUFKJZMFZ-RTNQIJGDSA-N 456.098 5.256 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 916947650 AARTWODAJAAWOW-BTYIYWSLSA-N 477.561 5.923 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc(I)cc1)c1nc(-c2ccccc2)cs1 917026408 ZBBGNFUAIVIKOY-KRWDZBQOSA-N 486.334 5.254 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)[C@@H](C#N)c4nc5cc(Cl)ccc5s4)nc(O)c23)C1 917045968 DSOJXXQUZVFBOQ-SMDDNHRTSA-N 483.018 5.594 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)c(C)c2)n1 917660924 QYJCGHQPSONQGG-QHCPKHFHSA-N 458.587 5.167 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 917672218 PCUYLTSICZBTLT-HXUWFJFHSA-N 477.989 5.093 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)c1 917702290 DMKCXEHLTUUTNL-HSZRJFAPSA-N 472.545 5.166 30 20 JKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920108605 ISONJSPSVJXMGX-SFHVURJKSA-N 459.315 5.152 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc(-c2ccccc2)cs1 920113133 AVXIHNOVCZHVFG-QFIPXVFZSA-N 477.545 6.228 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2c(C)noc2C)C1=O 920351550 ADVPNOISTOTFMZ-JOCHJYFZSA-N 492.601 5.077 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)O[C@@H](C)C2 920806138 HVHHGDUIXRRNKT-DASIODGOSA-N 466.509 5.700 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 920871820 YBRPLERKQSUYSS-OXQOHEQNSA-N 493.551 5.257 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CC2CCC2)C1=O)Nc1ccccc1C(F)(F)F 920927478 NWQBFORNBCXNHA-LJQANCHMSA-N 479.499 5.605 30 20 JKED COc1cc(OC)c(C(=O)/C=C/c2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1Cl 921262279 SGHJQKHPJXYVNL-SNAWJCMRSA-N 475.803 5.111 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)C1 1781165263 APYSOWWSVPBLHN-SMTRDTIPSA-N 497.463 5.120 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1785841985 AFSNYRSVZQYVES-UHFFFAOYSA-N 487.616 5.072 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4c(F)c(F)ccc4c3)CCC2)cc1 1786367135 BHPSUSKFSKZFKJ-UHFFFAOYSA-N 479.527 5.244 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CN4CCc5sccc5C4)cc3)CCC2)c1 1786730005 VRUZIKGWEQSVTL-HXUWFJFHSA-N 498.652 5.181 30 20 JKED CC(C)(C)OC(=O)n1cc(CC(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)c2ccccc21 1787649650 QEEHKWYGPPZALC-UHFFFAOYSA-N 486.572 5.015 30 20 JKED COc1c(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc2ccccc2c1Cl 1787888533 WDMKDPFWDUCOEP-UHFFFAOYSA-N 461.949 5.553 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)COCc4ccccc4)cc3)CCC2)c1Cl 1787895108 DUQKBHDQSKUDOE-UHFFFAOYSA-N 473.960 5.176 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)c(C(F)(F)F)c1 1788724953 OESZVBICKJGLLA-UHFFFAOYSA-N 460.500 5.385 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccccc5n4)cc3)CCC2)c(Cl)c1 1788894745 QAUGOEMBDZUSJF-UHFFFAOYSA-N 481.943 5.216 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(F)c4s3)cc2)CCC1 1788983046 KKLBMEWOWNTPMV-MRXNPFEDSA-N 467.566 5.589 30 20 JKED Cn1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c(C(F)F)n1 1789508081 JRMANUQQTQGBOU-UHFFFAOYSA-N 486.639 5.157 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789958603 UCTGOEAASIGBSW-RUZDIDTESA-N 469.585 5.069 30 20 JKED Cc1ccn2c(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5Cl)cc4)CCC3)cnc2c1 1790082935 VURZCGTWFLAVSN-UHFFFAOYSA-N 483.959 5.229 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4Cl)CCC3)cc2)cc1 1790287435 BVPZFAMINZFUHT-UHFFFAOYSA-N 469.932 5.101 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)c(Cl)c1 1790859383 GZAMUSIFAZMBMS-UHFFFAOYSA-N 480.955 5.821 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(N)c(Br)cc3C)CCC2)cc1 1791299813 HJABKRZFRGBARJ-UHFFFAOYSA-N 492.364 5.299 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cnc1C 1792123299 SXINGCZJKGKGLS-LJQANCHMSA-N 452.558 5.387 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c(-c5ccc(F)cc5)c4)CCC3)cc2)CCC1 1792227601 CCSBPHJUOGJSRI-UHFFFAOYSA-N 456.521 5.262 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1802503733 XFNZNSWPPXYGOG-PGRDOPGGSA-N 491.529 5.552 30 20 JKED Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)s1 1804468466 ZHIUZJAYXMHKCC-KCWPFWIISA-N 495.765 5.141 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1805059826 DHXDSHWSYASGAP-NVQXNPDNSA-N 488.607 5.528 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)C1 1805451803 GJHKQSJZNKZYBF-UHFFFAOYSA-N 473.057 5.499 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1805697226 JOFAYBQDYIETPG-ICSRJNTNSA-N 477.527 5.314 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)C1 1806019069 JXOIDMBHCVOFEH-UHFFFAOYSA-N 467.437 5.129 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1809093983 GKYLUQMLOKLQMV-IGKIAQTJSA-N 468.601 5.026 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4cccc(F)c4s3)[C@@H]2c2cccnc2)cc1 1809205681 RFCFMHVRIWRCHY-DHLKQENFSA-N 498.583 5.135 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1809303325 PWJXYZHJMANBCA-RSXGOPAZSA-N 470.617 5.250 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809442585 WGNOZMFTACFXHW-HXOBKFHXSA-N 486.062 5.189 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1810171666 JLPXOPMCSMCFFK-KNKQGSTJSA-N 480.659 5.149 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1810503529 PZDRXZWRNSTZLO-NBGIEHNGSA-N 491.035 5.595 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5ccoc5s4)C3)CC2)cc1C#N 1810512895 ZRZNQWXJMTZIAP-UHFFFAOYSA-N 491.613 5.312 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811138817 GKNVAJSTRPVMPD-UXPWSPDFSA-N 499.986 5.028 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1811945103 JHUXNBRIEYZDLM-UNMCSNQZSA-N 473.539 5.412 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1813964958 JFYKSBZBUIYZAK-JXHRLWIKSA-N 489.513 5.328 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1814442979 FEPFMADNQHFECF-SFHVURJKSA-N 451.596 5.318 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815536086 MRXJQPKEJCGOAM-ONHSTZBPSA-N 460.500 5.346 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815586845 IBZTYXIYBKFTIN-MZKUHISZSA-N 489.664 5.082 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccs3)n[nH]2)c1 1815994100 CYTZPLSCFPSRKL-JTSKRJEESA-N 461.591 5.037 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)[nH]n2)c1 1817745155 URIXDWKEQQNYPN-XUZZJYLKSA-N 477.634 5.040 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(C)(C)C)s2)n[nH]1)C(F)(F)F 1818344120 VHVKJAZVEILOTH-AWEZNQCLSA-N 454.518 5.193 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)o2)n[nH]1)c1ccccc1 1818426801 NKLFEJDZELOJFP-AZUAARDMSA-N 464.953 5.159 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(F)CCCCC2(F)F)n[nH]1 1818889451 LGZARPJIZPHLHP-NRJQMVOHSA-N 452.521 5.088 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)n[nH]1 1820212691 LETJMAGJQBNTSQ-JOCHJYFZSA-N 477.996 5.372 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820223087 HHOSDAYLDPYLGG-LJQANCHMSA-N 498.370 5.216 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)c2ccccc2n3CC)n[nH]1 1820226475 YTUHZSKBXSZICU-AFMDSPMNSA-N 499.615 5.435 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(O)c2)n[nH]1 1821128351 DXMALCFEDNMOAT-SFHVURJKSA-N 489.414 5.176 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)[nH]n2)c(Cl)c1 1821274615 JBDLFNQLYQUAMR-MECCDNJOSA-N 495.917 5.232 30 20 JKED C[C@H](Cc1ccco1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821311562 ZFSTUBYAUYEPNC-QVKFZJNVSA-N 499.493 5.078 30 20 JKED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)[nH]n1 1821877198 NONSREOECJKKHO-QHCPKHFHSA-N 464.525 5.294 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccc(Br)cc3c2)[nH]n1 1821924840 IZVCMXUDSPWNGL-VFNWGFHPSA-N 496.409 5.239 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)[nH]n1 1822399605 JQSAJZVKMDQCQM-HXUWFJFHSA-N 467.367 5.207 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)ccc(Cl)c3F)n[nH]2)cc1 1823272502 BQAQKFZHDNWDLP-FQEVSTJZSA-N 497.933 5.152 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1823422815 PDYRIMQZAXTUFC-GCJKJVERSA-N 477.996 5.070 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1823752027 IYNKKKFQBYCEBS-RUZDIDTESA-N 465.638 5.402 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sc(N)nc3c2)CC1 1823753021 RXPPVEJHRDIJJN-OAQYLSRUSA-N 468.667 5.104 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)CC1 1824245797 HCPRZJLNIHOWOW-BNVTUTKDSA-N 482.068 5.537 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)CC1 1826001181 YEZXYUCRRUQBLR-HXUWFJFHSA-N 465.560 5.326 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3nccc4occc34)CC2)c1 1827307083 ZPVQFNZWPYIDND-YADARESESA-N 470.573 5.002 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1827357345 YYKPIKXWIFTYCX-XMMPIXPASA-N 499.627 5.179 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(C(C)(C)C)nc2)CC3)c1 1827690355 CZOXBIGODQPFMG-OXQOHEQNSA-N 487.629 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccnc(C(C)(C)C)c2)CC3)c1 1827693844 MIFHDPWAUVXPMH-OXJNMPFZSA-N 487.629 5.002 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1827790581 HBNRMWPFVJYKKJ-MUUNZHRXSA-N 492.623 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1828827084 HGPPATHIAVRCON-JPYJTQIMSA-N 464.984 5.620 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 1828827931 ZUXQAEDZWOETDO-UNMCSNQZSA-N 489.454 5.156 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1828829703 LQGPEAMOUSTMMB-TZRRMPRUSA-N 489.701 5.068 30 20 JKED CNc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1828904957 FYDREPJWVHMACW-RUZDIDTESA-N 467.730 5.013 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNc2ccccc2C)CC1)c1ccccc1 1829031864 AZHXOBDWORALMZ-YTMVLYRLSA-N 485.672 5.224 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830535907 VVQBZMAVZWALBK-HRAATJIYSA-N 454.508 5.290 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2F)CC1 1830544639 DJEAZWQHNHYYEC-JOCHJYFZSA-N 495.408 5.154 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)CC1 1830683214 CHKSPZLBDSLGJZ-QHCPKHFHSA-N 470.654 5.238 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1830769823 WWUYYNKBXKOLKX-RDGATRHJSA-N 475.555 5.018 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1831443861 BQSUZEGOBCAEPB-VWLOTQADSA-N 481.587 5.502 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)C(F)(F)F 1831448921 OMJXNCWDYOCNKK-JOCHJYFZSA-N 462.556 5.237 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831484069 ULWMZOXHGMFJSJ-IEDNFIQGSA-N 490.688 5.335 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1831514706 DAUNTFQGMISOMM-ZOBSEURRSA-N 478.658 5.048 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)CC2)CCC1 1831806135 GDQWKDUAGSIYPL-JOCHJYFZSA-N 487.566 5.051 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)n1 1832091159 JWGAJOUTVCRLEM-MHZLTWQESA-N 495.784 5.302 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCC2)CC1)NC(=O)OC(C)(C)C 1832753459 YRMZDOAXKONZFX-XZOQPEGZSA-N 489.701 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832991960 VWJRTJXQDYJGEQ-MRAVXTPNSA-N 481.640 5.222 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 1833079225 VFJFMDJYRAYZPS-UHFFFAOYSA-N 497.577 5.022 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CC1 1835814171 HKBMLMJQYLWJJR-UHFFFAOYSA-N 479.709 5.062 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)CC1 1838373800 LVOQSEIHWVDNRB-XMMPIXPASA-N 493.673 5.191 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1838375919 WUBKUZBJXCVBLJ-GDLZYMKVSA-N 486.656 5.734 30 20 JKED O=C(c1cccc2c1oc1ccccc12)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841263166 GSDNIKYQVLOSBK-UHFFFAOYSA-N 468.940 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(Br)c(Cl)cc1F)C2 1844357179 KOXUHYQHCZEBDD-UHFFFAOYSA-N 471.798 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(OCCCC(F)(F)F)cc3)C2)c1 1845548274 JZMAWYZOXNGMGP-LJQANCHMSA-N 499.533 5.166 30 20 JKED CCc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2CC(C)C)cc1 8658142 DCHDVEBHNCKLQF-GOSISDBHSA-N 463.607 5.066 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(Br)cc1 9145661 CKZQRYSSCCOHCN-UHFFFAOYSA-N 461.360 5.072 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836393 VJQSAOWTOCODGZ-UHFFFAOYSA-O 458.434 6.511 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1OC 16863494 HVMSISRCPDLDGH-AWEZNQCLSA-N 462.497 5.278 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C(C)C)n2Cc2ccco2)n(-c2ccc(F)cc2)c1C 22188771 BKQXPSCYVLNYBU-UHFFFAOYSA-N 492.580 5.192 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1 22718673 GLHACSXUODQXJY-LJQANCHMSA-N 497.068 5.199 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1cccc(Br)c1 22732642 CSXQOJZPQGPDQX-UHFFFAOYSA-O 460.442 5.720 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3ccc(OCCC(C)C)c(OC)c3)nc2C)n[nH]c1=S 25575779 SCYDTJCWXJJZGW-UHFFFAOYSA-N 473.624 5.244 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COc2ccc(C#N)cc2Cl)cs1 28141695 VBKJEWGLLBXXFR-UHFFFAOYSA-N 451.857 5.951 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(C)c2)c1C 28793829 DLFJITIIFQVFCY-UHFFFAOYSA-O 485.427 5.243 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2ccc(CC)cc2)n1 32787144 TXZLVORVSKHDQR-UHFFFAOYSA-N 489.670 6.051 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)n2C)cc1 57660684 AKJXEGGMOHQAAS-UHFFFAOYSA-N 472.618 5.172 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1 68798556 WPTTXOWMSTUHLE-UHFFFAOYSA-N 496.457 5.617 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)o1 108485167 BNICCPLJRXXQKQ-UHFFFAOYSA-N 461.861 5.481 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 220056616 NZJDWFZHZAQGDB-UHFFFAOYSA-N 455.533 5.453 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 302928955 DJQZLRLGKXBIFI-UHFFFAOYSA-N 452.543 5.091 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 303045259 XCJAOJAPKMWSRH-UHFFFAOYSA-N 482.561 5.885 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2csc(-c3ccccc3)n2)cc1 410424287 VJOYTJALACMMPE-UHFFFAOYSA-N 461.568 5.256 30 20 JKED COc1ccc(Cn2ncc(C)c2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 483444759 XLIMJNHGIDATIV-UHFFFAOYSA-N 468.513 5.173 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1 483498274 WUTXDLZLMLWERN-DEOSSOPVSA-N 470.591 5.070 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc1OC 484309168 QFEMBVHSHPIVEH-UHFFFAOYSA-N 468.912 5.235 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 485819166 AGJOBEGNICGLCV-AOMKIAJQSA-N 499.920 6.172 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3c3cccc(Br)c3)c2)c1 491975391 DVSDCXSWMNKICG-YADHBBJMSA-N 460.331 5.315 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 493695334 ZWMYMOJDKZYYED-UHFFFAOYSA-N 486.503 5.379 30 20 JKED Cc1ccc(CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@@H]2CCc3ccccc32)cc1 498374484 LCSYFLMZEMDJES-HHHXNRCGSA-N 472.610 5.402 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 499189228 IZENXUVOZNKETB-OMQIJLIKSA-N 493.654 5.178 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 502703140 WWIXDIGWDWGPKR-HNNXBMFYSA-N 462.849 5.415 30 20 JKED CC(C)(C)OC(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1 503557099 UPCWKYRLFCGITK-LJQANCHMSA-N 470.554 5.441 30 20 JKED CCCC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 503567183 NOCMWCCOXNBTTR-RSXGOPAZSA-N 490.003 5.990 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCN2CCc3sccc3C2)cc1Cl 506274508 WESXTPPLDRXHPM-OAQYLSRUSA-N 450.995 5.237 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c(C)c1 507901770 KUGHMDLQGZBFFV-UHFFFAOYSA-N 489.597 5.007 30 20 JKED Cc1cccc(-c2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)c1 509052109 IIENGBVWIPDOEJ-UHFFFAOYSA-N 477.977 5.541 30 20 JKED COc1cc(OC)c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)[nH]c2c1OC 510235548 ASMXUHJAGXISDS-UHFFFAOYSA-N 457.486 5.418 30 20 JKED N#Cc1cccc(COc2cccc(CNCc3ccc(N4CCc5ccccc5C4)nc3)c2)c1 512847666 YIXJHTDXUZROGP-UHFFFAOYSA-N 460.581 5.385 30 20 JKED Cc1nn(Cc2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)c(C)c1[N+](=O)[O-] 513299645 FMOFTISORSWSKI-QGZVFWFLSA-N 493.495 5.348 30 20 JKED Cc1cc(N2CCOCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513999006 IJEPTUAZWPPVLM-UHFFFAOYSA-N 458.537 5.077 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1 514989048 WQWATYTYYZDOCM-XMMPIXPASA-N 482.005 5.094 30 20 JKED COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1 518243340 VELKFYKJROHBKB-QGZVFWFLSA-N 481.599 5.143 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 518256443 WIYXRSKVTXTMQB-LLGFUMIMSA-N 491.032 5.457 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 518581303 KZWSEHUISBALSB-MRXNPFEDSA-N 489.482 5.220 30 20 JKED COc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1OCc1ccc(Br)cc1 518705444 CBTIHMBCAMCKSW-UHFFFAOYSA-N 451.320 5.185 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc(-c2c(F)cccc2F)cs1 518871160 XVIBRAQLBALWPT-QGZVFWFLSA-N 452.507 6.219 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 519433183 VRIARCWWSOGWOG-LIRRHRJNSA-N 462.402 5.488 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1C 519942070 JJMXVJBHSRCJKA-UHFFFAOYSA-N 461.525 5.997 30 20 JKED CSCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nnc2ccccn12 521366822 SOMOGZAECHBFNQ-OAQYLSRUSA-N 458.547 5.009 30 20 JKED Cc1nc(CCC(=O)Nc2ccccc2SC[C@H](C)C#N)oc1-c1ccc(Br)cc1 521725290 BLYQQTOVADHUOC-OAHLLOKOSA-N 484.419 6.236 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 521801097 XDRIYXHNCJUVNV-CQSZACIVSA-N 486.519 5.724 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 523525320 HRTFAEROMDMRKV-UHFFFAOYSA-N 471.454 5.550 30 20 JKED COc1cc(OC)c(OC)cc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 524200950 ZZEDHXMIHIANHN-UHFFFAOYSA-N 467.909 5.351 30 20 JKED COc1cc([C@@H](C#N)NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc(OC)c1OC 524246555 VSGDILUESYNHIO-HSZRJFAPSA-N 487.531 5.313 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1OC 524367039 GZMJVASNAYHMOZ-NRFANRHFSA-N 479.964 5.385 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 551706620 NIGJLKPJYLRBLP-UHFFFAOYSA-N 479.584 5.057 30 20 JKED COc1ccccc1CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 556510934 BOTAPTGSWKXWQS-UHFFFAOYSA-N 456.546 5.017 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 572869165 DYQKQRWZTITXQY-UHFFFAOYSA-N 491.513 5.663 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc(C)nc21 587988805 RLFHTYPDNTVWNG-DOMZBBRYSA-N 457.481 5.829 30 20 JKED C=CCN(C(=O)c1cnc(-c2ccccn2)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 589855761 PLRBIUQHAXEUKQ-UHFFFAOYSA-N 473.410 6.468 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccc(OC(F)F)cc1 595869133 BHBDTXKZHQGURJ-QGZVFWFLSA-N 485.903 5.444 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)cn2)c1 603626612 DRQPIVXAHYRKLG-UHFFFAOYSA-N 489.457 6.080 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 604004656 IEBPJYPPDOEAFB-GOSISDBHSA-N 459.571 5.409 30 20 JKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 604004967 UIEMTHHAABWJGC-UHFFFAOYSA-N 451.482 5.543 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cn2)c1 604288780 QVYITXJRJIXENZ-ZIAGYGMSSA-N 458.362 5.340 30 20 JKED Cn1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 604417411 TWWZRAPUQUWGLD-CQSZACIVSA-N 471.420 5.114 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1 604464405 ZVBPZGWIOIQMMR-UHFFFAOYSA-N 485.565 5.789 30 20 JKED C=CCN(C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604481398 NZOUTAOTHMACOP-UHFFFAOYSA-N 471.922 5.366 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)CC1 604510358 MNCGEHAJCCFMKE-UHFFFAOYSA-N 463.925 5.223 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 604523326 IMJPGSPDKGGGPH-HOFKKMOUSA-N 483.568 5.224 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C#N 609072776 ZSOQRHPBOYZBEV-UHFFFAOYSA-N 454.555 5.564 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C(C)C)s1 609088625 HAUREZVETWHPIC-UHFFFAOYSA-N 483.540 5.572 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(OCc2cccnc2)cc1 609123993 JWGPUBYUWDUFCB-HXUWFJFHSA-N 496.542 6.133 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 609370002 WDPBMTBIHWLHQI-SFHVURJKSA-N 489.626 5.569 30 20 JKED Cc1ccc([C@@H](NC(=O)CCc2c(C)nc(O)c(C#N)c2C)c2ccc(F)cc2Cl)cc1 609374404 VYGUSCBSKGHDCZ-XMMPIXPASA-N 451.929 5.215 30 20 JKED N#C[C@@H](C(=O)c1csc(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344849 RDRKGJCGTHTRSB-NSHDSACASA-N 458.189 6.431 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)o1 613403869 KISAQJQVPRQZBM-QGZVFWFLSA-N 457.440 5.676 30 20 JKED CC(C)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 619561894 KQIWEHHRLLTZGG-UHFFFAOYSA-N 454.555 5.112 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 642565686 RTOSSSPEEKAZDU-JHJVBQTASA-N 491.398 5.343 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccccc1F 648079872 QQDZGUUAKPCRMO-INIZCTEOSA-N 471.627 5.573 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 677560202 JZBLRCMWLBYSGZ-JWQCQUIFSA-N 498.608 5.126 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NN=C2c3ccccc3-c3ccccc32)cs1 725796739 CNRVKOTWELYCGS-UHFFFAOYSA-N 450.567 6.296 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1F 726397719 IOXFLNPNIYMSOY-YJYMSZOUSA-N 481.952 5.004 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)c1 726423506 ZVMJWVXSRBHGAL-BCSIRWHNSA-N 492.670 5.658 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@H](C)c2cccs2)cc1 726579281 SJSXYPZQCPUTIE-GOSISDBHSA-O 480.679 5.566 30 20 JKED Cc1ccc(-c2csc3nc(/C(Cl)=C\c4cccc(OCCCC#N)c4)nc(O)c23)s1 726743806 PNKGPYMKGUFSEE-LDADJPATSA-N 468.003 6.853 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)n(C2CCCC2)c1C 726841821 UGCGCTPBPDKHDV-UHFFFAOYSA-N 489.576 5.235 30 20 JKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 727061345 GSNKRHYAKCSRRN-UHFFFAOYSA-N 479.606 5.197 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1ccccc1-n1cncn1 727780635 QVCLEDFMTAKBIN-DHZHZOJOSA-N 451.349 5.358 30 20 JKED CC(=O)Nc1cccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 728061781 ANMDKWYCHQZAPH-INIZCTEOSA-N 462.937 5.188 30 20 JKED N#CCn1c(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc2ccccc21 729769567 TXGBJSUOYJRIPU-QHCPKHFHSA-N 488.887 5.263 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCC2)cc1Cl 730463071 RQWAYSSENWFADV-FQEVSTJZSA-N 457.983 5.170 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 730528530 FPDRSIRCSLEPKA-IBGZPJMESA-N 461.509 5.391 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 730536127 MEOWZEWLAKWCHQ-QFIPXVFZSA-N 471.598 5.138 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1F 731308780 OCERSYATBOZDQT-FQEVSTJZSA-N 469.563 5.062 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2F)c1 731309770 WEAANDZUJNFFCG-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cc(F)ccc1F 731310956 TWACJZGRDRGAMQ-QFIPXVFZSA-N 481.524 5.139 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2C)cc1F 731311505 DCQXEVDZYRKTNI-QHCPKHFHSA-N 493.560 5.009 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)cc2F)cc1 745584422 OUKQBBXUUTWHMA-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2)cs1)c1ccc(F)cc1F 745998568 MTPRBUZFBKMLGQ-GXDHUFHOSA-N 490.531 6.581 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)c1 747600274 ADYLTNOMCIHKTG-OAQYLSRUSA-N 482.606 5.566 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)c4ccc[nH]4)c3C#N)C(C)(C)C2)o1 749955273 GSGRWPQRLFFKDU-VQHVLOKHSA-N 461.543 5.423 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c(C)c2c1 764089691 JSLHCGYKMGYCIA-UHFFFAOYSA-N 456.498 5.171 30 20 JKED CCOc1cc(/C=C2/CSc3c(F)cccc3C2=O)ccc1OCCn1c([N+](=O)[O-])cnc1C 767909787 AJTSCCFBVQGKCJ-BOPFTXTBSA-N 483.521 5.089 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1C 799215808 POXCRIFAFMWLCL-GOSISDBHSA-N 460.386 5.204 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(C3CCN(C4CC4)CC3)C2=O)cc1 837445845 DXCGOGWFXGAPBX-RUZDIDTESA-N 490.673 5.199 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1ccc(F)c(Cl)c1 837540350 VJDHYJRXMLIZTH-HNNXBMFYSA-N 459.852 5.002 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2)cc1 914772500 AMIDCHPABRLARB-DEOSSOPVSA-N 491.588 5.441 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 915085435 LYDZZVCJJACDHU-RUZDIDTESA-N 487.987 5.495 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104587 SPMWOPUICBKOMB-OAHLLOKOSA-N 465.884 5.355 30 20 JKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915106538 CQVAWSGHDKCBOQ-WMZOPIPTSA-N 458.896 5.106 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)cc1F 915116664 MIONGNLGIAUXSC-JOCHJYFZSA-N 499.514 5.273 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 915351957 DPMZIWRQJNWACS-XMMPIXPASA-N 464.491 5.715 30 20 JKED Cc1oc(-c2cccs2)nc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 915649607 APRIKIUUDKPRMS-UHFFFAOYSA-N 474.489 5.902 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)c(Cl)c1 916206135 WOOMIVZDXNCGCR-LJQANCHMSA-N 481.952 5.005 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CCCC2)C1=O 916209854 SLHPSVWPGWSIMU-FQEVSTJZSA-N 457.983 5.252 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(OCC)cc1 916215891 YVKFGOHFHVROCD-IBGZPJMESA-N 490.423 5.218 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@H](C#N)c1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1 916626888 BABYKYWHKMGXAE-JOCHJYFZSA-N 457.917 5.114 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cccnc2Cl)ccc1Cl 916827121 DVTCDAJVIVGCET-UHFFFAOYSA-N 496.803 5.675 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847133 MHDUTFGFKWPMIU-OAQYLSRUSA-N 481.577 5.782 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916885827 CDHHCSPHYXPAKW-MRXNPFEDSA-N 477.945 6.048 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(NC(=O)c2cccs2)c1 916887408 OAHZFNPMGRVHNU-QGZVFWFLSA-N 471.510 5.276 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 916901973 UMCDWVXRNWQGOC-MRXNPFEDSA-N 467.957 5.067 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 916930571 JGDXKXBGSHRIEB-GBXCKJPGSA-N 464.974 5.519 30 20 JKED N#C[C@H](C(=O)CCSc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1Cl 916931885 ORSDJYXDPUSKJN-GFCCVEGCSA-N 472.191 5.586 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 916939044 MWJBBEOYJGPTNH-INIZCTEOSA-N 475.551 5.163 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976100 JEUNLYXOEZEVMM-NHYWBVRUSA-N 478.788 5.765 30 20 JKED N#C[C@H](C(=O)c1ccc(CN2CCCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995742 DUUXWKSCPWTGJQ-LJQANCHMSA-N 484.408 6.119 30 20 JKED N#C[C@H](C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1nc2ccccc2n1C(F)F 917039865 GDUZPTLXDHSZHR-QGZVFWFLSA-N 490.560 6.823 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)cs1 917558916 AHNHYAUPNHVIKU-XNTDXEJSSA-N 480.033 6.758 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccc(F)cc2)n1 917678139 QEWSUFUKHLYGPN-NRFANRHFSA-N 497.983 5.046 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](c1ccccc1)C1CC1 917702694 IGHXJKDKPUINJN-RSXGOPAZSA-N 498.583 5.809 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)s1 917702891 JICHSOLEUQQNMS-QFIPXVFZSA-N 474.611 5.343 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cc(C)on3)C2=O)cc1 920354942 ISOPYVBNMYDWMY-HXUWFJFHSA-N 468.966 5.105 30 20 JKED N#CCCn1cc(C(=O)Oc2ccc(Cl)cc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 920838868 VBMYSHJUUGYSEM-UHFFFAOYSA-N 475.686 5.007 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 920868670 LEPFYALHWKPFOB-ACJLOTCBSA-N 498.407 5.375 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(-n3ccnc3)cc2)C1=O)Nc1ccccc1F 921140396 PBALUKHOITXPKQ-DEOSSOPVSA-N 499.571 5.172 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)cc1 1785796837 RNTTZQYAQIBJPP-UHFFFAOYSA-N 492.501 5.353 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)[C@@H]4CCc5ccoc5C4)cc3)CCC2)c1 1786213716 RRUBZWDFIXYVCO-HSZRJFAPSA-N 467.569 5.023 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)CCCc3ccc(C(F)(F)F)cc3)cc2)CCC1 1786326952 BYSHELYLZKADSG-UHFFFAOYSA-N 457.496 5.466 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(F)c3)CCC2)cc1 1786366608 OQTJUCBJIIFDLB-UHFFFAOYSA-N 487.575 5.618 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(F)c(F)c4)CC3)CCC2)cc1 1786366849 ZJDOLNLOEWQLQI-UHFFFAOYSA-N 468.544 5.113 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786574468 QMZPTCKBBVICFE-BCHFMIIMSA-N 469.626 5.122 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)cc2)CCC1 1786789492 WVXNLXGHRDMOTG-MDWZMJQESA-N 490.554 5.290 30 20 JKED Cn1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c2cccnc21 1789398334 BAOYPWJMJBDGFQ-UHFFFAOYSA-N 483.959 5.160 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3F)cc2)CCC1 1790072384 HEWGPTKYHSUIDQ-CMDGGOBGSA-N 487.556 5.555 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4F)CCC3)cc2)c1Cl 1790082746 LQWUWLHVSKRYML-UHFFFAOYSA-N 477.923 5.177 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4oc5ccccc5c4C)CCC3)cc2)c(C#N)c1 1790473116 VIRQUUZSRVTBTN-UHFFFAOYSA-N 493.563 5.612 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H](CCC=C)NC(=O)OC(C)(C)C)cc2)CCC1 1790519044 CUOXAMIRRFRZFI-QHCPKHFHSA-N 481.637 5.174 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790868109 XMOZMROOEROVBJ-UHFFFAOYSA-N 477.992 5.619 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791516670 NWCQGPXPXJOYCY-QHCPKHFHSA-N 483.653 5.254 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791582561 CEXZZUBSNONJNU-NRFANRHFSA-N 495.664 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccccc45)CCC3)cc2)c1 1792123967 VYKRGEYGNZTVSO-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(NC(C)=O)ccc3Cl)cc2)CCC1 1792192005 NAUUVUNKJIEITB-MRXNPFEDSA-N 453.970 5.258 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(Cl)c2OCc2ccccc2)C3)C1 1792502115 DEOMAHYJAAJBJP-KOUNCHBCSA-N 464.993 5.137 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)C2 1793055028 PNYZVZSFRWEPDI-ACDBMABISA-N 479.846 5.052 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1F 1799588596 CDHXGGNQFFPCAF-QDMKHBRRSA-N 488.403 5.429 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1C(F)(F)F 1800397803 CNYKHEQFLGPULF-BJWYYQGGSA-N 488.403 5.429 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)cc1 1800543452 BALDJGLOZVSCLE-NUNAXRQHSA-N 478.552 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2F)[C@@H]1c1cccnc1 1802712784 YIPSCOXLOALEGN-AVRDEDQJSA-N 457.977 5.186 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1802959007 ZTIIVDQFYNNOND-OUXSMCDZSA-N 486.660 5.198 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1803083702 HAVKOXMEEJUUCY-LSYYVWMOSA-N 480.612 5.232 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1803602012 QWNPZCJSZIHHFW-HRNNMHKYSA-N 491.632 5.162 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1803608382 SFJAXGLOJUPJPF-LUPFDQBXSA-N 487.625 5.255 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@H](S)C(C)C)[C@H]2c2cccnc2)cc1 1803608567 XHVSJOLXWJJTBN-ZRJLEYOISA-N 481.706 5.017 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1)c1ccc(Cl)cc1 1803677015 XLQWTRNXNTYHLV-QIEDNPPQSA-N 478.036 5.659 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1805047757 XJGNXMHBDAGUDX-UHFFFAOYSA-N 474.630 5.291 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4sccc4c3O)CC2)C1 1805458306 HDUULAYEFIFEEI-UHFFFAOYSA-N 452.620 5.220 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1809673649 SNYXFMYIWLXMMN-CVDCTZTESA-N 498.961 5.123 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1810171961 JHDSKJGIHYZDPU-YPCDYVTLSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1810173430 OPRRMJAOXXWIBZ-NQHRYMMQSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1810175020 OOXMMJCGAUUETH-OYRHQHFDSA-N 486.641 5.293 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CC1 1810273364 VYOHOSMNAQCBSU-LEAFIULHSA-N 495.784 5.745 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ncsc23)[C@H]1c1cccnc1 1810499420 YARDMAVDRPWSTF-UGKGYDQZSA-N 462.619 5.003 30 20 JKED Cc1occc1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811251091 HCPIUCYLXCXLRQ-XRKRLSELSA-N 489.575 5.016 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1811796210 NFVUTWRTNLEZTE-DGPALRBDSA-N 494.639 5.248 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccc(F)cc4)cc3F)[C@@H]2c2cccnc2)C1 1812053560 KVEUBLLXDZRRCJ-CUNXSJBXSA-N 487.550 5.313 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1)c1cccc2c1oc1ccccc12 1812302142 POGMWMNWNIFGEW-NGQVCNFZSA-N 499.570 5.352 30 20 JKED C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(CCCC)cc3)cc2)[C@H]1c1cccnc1 1812529709 DNJFPPRQKTZIMG-YTMVLYRLSA-N 465.597 5.044 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)[nH]n1 1814829987 MUZJFYRJPCCIFN-GOSISDBHSA-N 462.381 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2ccc3c(F)cccc32)n[nH]1 1814833000 JTJFYKDPBNGEQJ-QFIPXVFZSA-N 465.573 5.188 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1815245795 ULGDHEQDVWVXRO-GHTZIAJQSA-N 481.647 5.137 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1815656991 RPPYTEMEWZJSOB-IBGZPJMESA-N 477.030 5.075 30 20 JKED Cc1csc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1815898074 ZGLJEADNHHKXMV-WZONZLPQSA-N 475.618 5.345 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H]2CNc3ccccc3C2)n[nH]1 1817371887 LDWVOGGZOXCPML-YKSBVNFPSA-N 477.653 5.459 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2Cl)n[nH]1 1820187485 OWQWWOTUJCTARR-ACJLOTCBSA-N 466.916 5.183 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1)C(F)(F)F 1820505090 LMJWQTXRBPTZNZ-HNNXBMFYSA-N 461.271 5.141 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(F)cc2F)n[nH]1 1821029792 KGKIOLGYPIDDEH-XOBRGWDASA-N 462.928 5.416 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)c1 1821309755 ALMVRWRZMVIARX-OAQYLSRUSA-N 481.478 5.228 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)n[nH]1 1822314459 DZMXEGXYJGKUKL-FQEVSTJZSA-N 468.001 5.117 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1822391759 IUGOGUAMDJVAHK-QFIPXVFZSA-N 485.613 5.729 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1)c1ccc(O)cc1 1822467041 HKIBGMQFZRNRCN-GBXCKJPGSA-N 496.567 5.365 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1)c1ccc(O)cc1 1822979814 COZBQSCBOPNLSA-ATEJDMMGSA-N 474.605 5.051 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823211503 MSBDDESJLKPEQN-WZONZLPQSA-N 475.618 5.345 30 20 JKED Cc1ccc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216133 PARDGBKUCAGNNB-CYFREDJKSA-N 455.562 5.273 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1)NC(=O)OC(C)(C)C 1823347706 GEVUELRECHCFDH-VWPQPMDRSA-N 499.656 5.008 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c[nH]1 1823682022 NLHDOCJMVKZGDH-RUZDIDTESA-N 474.649 5.050 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC2)C1 1823703437 ZGKWLQKNKHUBDN-VXNXHJTFSA-N 485.466 5.139 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1823812245 KZKDFNZKAYYLHR-BJOYHEJJSA-N 487.669 5.335 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cnc2C)CC1 1825448457 HHQSIHKUWCNDDR-QFIPXVFZSA-N 490.486 5.378 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1)c1cccs1 1827683952 RUGNABQHDANXDU-BYUVYSIJSA-N 476.642 5.298 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)CC2)CC1 1828168795 XOMKOKSGUFKYTI-GOSISDBHSA-N 456.011 5.092 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C#N)c2)CC1 1828827154 IYEROBMCVDUBFL-ISKFKSNPSA-N 498.465 5.322 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828828110 CXZIHWSFQZBNMQ-NBGIEHNGSA-N 469.576 5.448 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccccn2)CC1)c1ccccc1 1829035026 JGTYLEBHTFTDCI-KHGZIGHDSA-N 471.645 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncsc2Br)CC1 1829066683 RHSBFULEDCDXSU-KRWDZBQOSA-N 482.488 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2ccc3c(F)cccc32)CC1 1829068145 HECJURUIAFPOLH-XMMPIXPASA-N 467.629 5.393 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1829071431 PUELBUMFMGNAIE-HSZRJFAPSA-N 491.717 5.246 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)c1Cl 1829689458 GFBQPVIBMHXTRZ-HRBBJJPOSA-N 454.014 5.191 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1Cl 1829689640 KRNSFHIPMKFFTM-JOCHJYFZSA-N 488.390 5.551 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)c1 1829864582 FIGDLORAZFTDKK-JTSKRJEESA-N 453.970 5.107 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3)CC2)ccc1Br 1829963055 QCXTXJGKJAGUTE-QHCPKHFHSA-N 498.396 5.007 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc5ccccc45)CC3)c2c1 1830826006 SINYLJWRAHKZNG-HHHXNRCGSA-N 491.595 5.135 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nn(C)cc3c2)CC1)c1ccccc1 1830856564 KGZJYEMYZLGRDI-LMSSTIIKSA-N 496.655 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)CC1 1831304206 SFKNMFBNGYZUFT-VWLOTQADSA-N 484.681 5.249 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1831446631 CZIVQDHYTMHFTQ-HXUWFJFHSA-N 486.962 5.323 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1831447146 OKNQQZVUUODQAV-SFHVURJKSA-N 477.354 5.577 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1831695553 BTSDKOYNNIMMJF-OPJGWUQDSA-N 453.602 5.147 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1832028608 RTTAPYYNGDMIJI-ISJGIBHGSA-N 455.042 5.257 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)ccc(F)c1F 1832618569 WMJUNCHLQQLHBV-LCCNJJIFSA-N 486.584 5.007 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)Nc3ccccc3)CC2)c1 1832631251 BKLFAAUHEGVDSV-LOYIFYEOSA-N 472.633 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1832737580 JGYJYZKNAPTKTM-RDGATRHJSA-N 486.056 5.300 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1832826843 DSKUOYJJQJKRCB-AREMUKBSSA-N 492.063 5.414 30 20 JKED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 1847807796 WCQNXHTUVLHAKK-ZEQRLZLVSA-N 454.655 5.080 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Cl)s2)nnc1-c1ccc(Cl)cc1 10240406 VZYNJWGOOXWGDY-UHFFFAOYSA-N 453.420 5.250 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)N[C@](C)(C#N)C3CC3)n2Cc2ccccc2)cc1 11019656 UWHMYAMZDTXEBF-HHHXNRCGSA-N 473.646 5.191 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)c1C 11125746 ROMOJAFOFAWMLA-UHFFFAOYSA-O 458.563 5.031 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C)c1 16031744 LJLBVAVLIMVFHJ-UHFFFAOYSA-N 454.979 5.590 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nnc1-c1ccccc1OC 16659109 LGJHLOWPBHZASO-UHFFFAOYSA-N 492.649 5.500 30 20 JKED Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccncc1 20041416 UMGHGJFAPCLPSW-UHFFFAOYSA-N 474.977 5.088 30 20 JKED CCOc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2cccc(OC)c2)cc1 21609454 UDFKTMSNUMPKOZ-UHFFFAOYSA-N 491.598 5.006 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccco2)ccc1Cl 22752928 KLPJAJDDSXXVNS-UHFFFAOYSA-N 479.385 5.240 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2C2CCCCC2)cc1 23563835 CTGUDXQSHCSFOC-UHFFFAOYSA-N 453.593 5.123 30 20 JKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 24346636 FQKTWPTUKZEQQQ-IRXDYDNUSA-N 473.602 5.421 30 20 JKED Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)c3ccc(C#N)cc3)ccc2C)c(C)c1 26110348 QZLWXCLLQNIDIW-HXUWFJFHSA-N 461.587 5.084 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1 46843291 KNGMXIGVBNQGOS-QFIPXVFZSA-N 487.046 5.760 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cs1 105514383 YYZSWZLRJLWSQA-UHFFFAOYSA-N 495.680 6.012 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1 255929879 OXAIVVWMJQAZIT-KGLIPLIRSA-N 462.406 5.191 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1 303256868 OMIALQJCQBNWQM-OAQYLSRUSA-N 473.529 5.800 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccc(Cl)cc1 303318276 STTVHESYUMNLHL-INIZCTEOSA-N 484.050 5.767 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 303390931 OSIMZWDIPLEVQY-CJNGLKHVSA-N 471.431 5.039 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nnn(-c2cccc3ncccc23)c1C 303400098 ZTOPGWWKFGWCHE-UHFFFAOYSA-N 474.524 5.135 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 409450866 AMRUTMPNFUDEJI-CYBMUJFWSA-N 481.316 5.792 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 481171287 VSYDMHVOHZMJKD-UHFFFAOYSA-N 467.598 5.079 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nc2sc3c(c2c1=O)CCC3 486220752 VXIBTDGCDWGILA-OAHLLOKOSA-N 481.643 5.091 30 20 JKED Cc1ccc([C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N2CCCC2)cc1 490683103 GSJNGHFTSBHWFX-NDEPHWFRSA-N 468.601 5.599 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 493103797 JPAQKYVZCICWLA-UHFFFAOYSA-N 469.448 5.147 30 20 JKED CC[C@H](C)n1c(SCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)nnc1-c1ccccc1 504048947 FJXXYOPPMOXRKP-KRWDZBQOSA-N 487.551 5.471 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)cc1C 505806168 CWGCVQCWJQBEOI-UHFFFAOYSA-N 498.631 5.147 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCC2)cc1Cl 506431964 VHDGGBHBMIYSLX-HSZRJFAPSA-N 475.951 5.311 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCOc4ccc(Br)cc43)c2)c1 506565125 XROIBYZJALQAPN-NRFANRHFSA-N 491.345 5.218 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 507917681 BWMXAPKGMHFNDX-UHFFFAOYSA-N 465.962 5.556 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1 509906330 XJAIDYPPVDNVNF-VWLOTQADSA-N 469.520 5.115 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCc3cccc(C#N)c3)n2Cc2ccco2)cc1 510550075 SADNOZOFRSKQGQ-UHFFFAOYSA-N 485.613 5.164 30 20 JKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1 511307405 RJVQCTNYASHTLO-UHFFFAOYSA-N 456.546 5.017 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 511439374 OMOVARANBKXESL-UHFFFAOYSA-N 483.355 5.399 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(C)cc2)no1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 512198635 DHTBCQHPTPTYRU-UHFFFAOYSA-N 479.583 5.010 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1csc(Br)c1 513529932 DVFLWRMSUZRSSY-UHFFFAOYSA-N 456.365 6.147 30 20 JKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc(O)c2c3c(sc2n1)CCCC3 513681494 DEQHMLBWBMSJMD-GOSISDBHSA-N 499.552 5.286 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 513696308 WHZBYDTWYWUMQJ-IBGZPJMESA-N 492.564 5.013 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1 513861205 HNCRAZDAKMVFSG-VWLOTQADSA-N 473.548 5.880 30 20 JKED COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC(C)C 514118125 FMGHFKHXDHZZJI-FQEVSTJZSA-N 475.564 5.966 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1coc(-c2ccc(C)cc2)n1 514368375 OLESKQDGBVGEJR-UHFFFAOYSA-N 452.967 5.952 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)c1 515542187 HWBMXWQMJCPAMV-HSZRJFAPSA-N 483.549 5.326 30 20 JKED C[C@H]1CN(c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cn2)C[C@@H](C)O1 516461408 YYOZLUWEQIRQLB-SOLBZPMBSA-N 452.624 5.032 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1Cl 516711145 NXABJCAOSLBDBC-JTHBVZDNSA-N 477.923 5.103 30 20 JKED COc1cc(Cl)c(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1Cl 517171034 OSNZHLGFGXITPX-UHFFFAOYSA-N 464.330 5.170 30 20 JKED Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 517526754 CCDULZQCBZPGBZ-FQEVSTJZSA-N 477.655 5.661 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O 518141400 SPEHUXSFXZUTHB-SFHVURJKSA-N 464.587 5.766 30 20 JKED COc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 518259936 UGNKVAVPCHMWKD-HHHXNRCGSA-N 477.520 5.203 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCO)Cc1cc(Br)ccc1F 520197912 TWPSLZFIPJDMKN-CQSZACIVSA-N 466.376 5.009 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCOc3ccccc3-c3ccccc3)s2)cc1 520604513 IRPAHSQCROBTDL-UHFFFAOYSA-N 487.610 5.570 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 522951589 UOUNMYFQQKXQBT-QPPBQGQZSA-N 465.475 6.028 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)o2)cc1 524139407 FAEBAPSYNCWJOU-UHFFFAOYSA-N 495.413 5.847 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1 524439344 SZVRTNPJUGCLSZ-UHFFFAOYSA-N 451.910 5.130 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)cc2F)c1 524460677 RTJUROLBSMRLGA-UHFFFAOYSA-N 463.553 5.080 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 524674811 BONGFSDXEOIOAL-AWEZNQCLSA-N 464.418 5.278 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCN(C(=O)C2CCC2)C2CC2)cc1Cl 553665214 PHZSGKVGLZWUGO-QHCPKHFHSA-N 464.997 5.298 30 20 JKED Cn1ccnc1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1 558733343 DHABWFYCIUSRAH-RUZDIDTESA-N 471.511 5.071 30 20 JKED O=C(Nc1cc(F)ccc1N1CCCCC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588953469 MMVBXJKLCDOGBJ-CHWSQXEVSA-N 455.418 5.847 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 603520898 NWVXEHHLUROAOS-UHFFFAOYSA-N 464.949 5.088 30 20 JKED Cc1ccc(-n2nnc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c2C)cc1 603962087 CSYOAARAUSOINW-UHFFFAOYSA-N 482.491 5.074 30 20 JKED CC(C)C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 608864619 KNSNYUJABJDKRN-LJQANCHMSA-N 475.515 5.061 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCc2nc3c(s2)CCCC3)cc1 608915942 FRFKOPBBPWQFEF-UHFFFAOYSA-N 460.603 5.421 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)c3c[nH]c4ccccc34)cc2)c1N 608924305 JKHOUQKIFMMENR-QFIPXVFZSA-N 480.959 5.023 30 20 JKED CCc1c(C)sc(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1C#N 609032624 VXKFMUBFXCPWLP-UHFFFAOYSA-N 461.971 6.158 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(OC)c1 609078151 DCOLCWGGMLVONO-SANMLTNESA-N 471.557 5.832 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(OC)c1OC 609079341 XJJSRNQJHLGSCE-SFHVURJKSA-N 475.545 5.354 30 20 JKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079607 HVCAMGAAGFXHOR-HOFKKMOUSA-N 490.003 6.422 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc12 609185394 WXCNKAHFXVMSTO-UHFFFAOYSA-N 456.571 5.010 30 20 JKED N#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c(F)c1 609253653 QTSNHDGBMSFAOR-UHFFFAOYSA-N 474.389 5.429 30 20 JKED CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc21 610481847 UMQXNJBJCUGPFN-HSZRJFAPSA-N 479.989 5.095 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403432 CXRZNPCIKBAUKG-HNNXBMFYSA-N 475.492 6.300 30 20 JKED Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2F)n1 618542685 AMEBEXQSQPRBKH-STQMWFEESA-N 452.374 5.223 30 20 JKED Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CC[C@@](F)(c3cccc(C(F)(F)F)c3)C1)CC2 622584566 FNFIRBOBEAWRLU-RBZFPXEDSA-N 475.408 5.025 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NC23CC4CC(CC(C4)C2)C3)[n+]2ccccc2)C=C1 725761983 KZFYQBAYNMYARI-UHFFFAOYSA-O 490.693 5.540 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 726111520 KMTJHBREFLNORZ-QVKFZJNVSA-N 499.637 5.442 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(F)(F)F)c1 726411208 LNMROOSIWYXMEV-NRFANRHFSA-N 481.499 5.344 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCOC(C)(C)C)C2=O)cc1 726421019 NQTMSERCZILTAC-HTIDCGSISA-N 473.664 5.261 30 20 JKED NC(=NOCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccc(COc2ccccc2F)cc1 726597007 NKGUWGRIKDSKGJ-UHFFFAOYSA-N 487.318 5.599 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(OC)c(Cl)c1 726891689 PSZVKZNVMKVCAE-NRFANRHFSA-N 488.009 5.284 30 20 JKED Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 727558752 DBUXLXKQIUNZDS-UHFFFAOYSA-N 451.573 5.116 30 20 JKED Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728052665 JDZKUJOAIHEZHL-UHFFFAOYSA-N 450.882 5.058 30 20 JKED N#C[C@@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccccc1 728147320 FFXCTKIOJUYPCD-DEOSSOPVSA-N 455.945 5.623 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1Cl 728236373 ICZQAWWLOVVAOQ-ISKFKSNPSA-N 459.933 5.518 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c1 728779418 ZNAZINODHWPVEP-HSZRJFAPSA-N 462.619 5.574 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 729144040 AIDZLKLKZCFQBR-GOSISDBHSA-N 488.997 5.405 30 20 JKED O=C(Nc1cc(-c2ccccc2F)no1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 729270668 OSWYTDPWRUHOHK-UHFFFAOYSA-N 484.331 5.956 30 20 JKED CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 729318857 DTQGWANUHWNWRU-AZUAARDMSA-N 457.983 5.244 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(Nc2nc(C)cs2)c1 729336216 IMHSWWNJYNGDPQ-UHFFFAOYSA-N 487.379 5.246 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cc(F)ccc2F)C1=O)Nc1ccccc1F 729631459 NKYFNPNVVMYFLQ-OAQYLSRUSA-N 487.478 5.404 30 20 JKED O=C1COc2ccc(C(=O)/C=C\c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)cc2N1 730589586 XLFYYZNVOZYVKD-YWEYNIOJSA-N 467.308 5.473 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1[C@@H](C)c1ccccc1 731068526 AJPLBVGPDYWQFY-QUCCMNQESA-N 475.614 5.762 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2cccs2)c1 731310108 AGMDLGYYZFWBBY-ZHRRBRCNSA-N 495.626 5.054 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(Cc2cc(Br)ccc2F)C(C)C)c1=S 746033825 UYUQAGIQXKWUIW-UHFFFAOYSA-N 476.419 5.432 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 746698031 SGGFWQNBHVJDGZ-HXUWFJFHSA-N 477.989 5.256 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)c(F)c1 746698141 VSZWWRFDCNQAEA-OAQYLSRUSA-N 493.551 5.189 30 20 JKED CCOC(=O)COc1cccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 747061324 GPVGPMOOMIKNRY-XFXZXTDPSA-N 484.961 5.319 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c1 747603437 RSPCQASVTVFUIG-OAQYLSRUSA-N 496.633 5.410 30 20 JKED CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747873580 HVTNVSVOWQAZQA-SHQCIBLASA-N 494.620 5.380 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 779180817 ACGAYEVBWQILGY-OAHLLOKOSA-N 495.944 5.596 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 782029494 UABORYQOAFWFJG-UHFFFAOYSA-N 465.145 5.106 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CC(F)(F)F)cc1 799222035 WIGVRDNFQIBPAX-GOSISDBHSA-N 499.942 5.434 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](C)c2ccccn2)C1=O 837551715 KHHCPPZLZJZXQD-AOMKIAJQSA-N 495.004 5.465 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 838313634 ZPIOFLSXAPEPSZ-NLFFAJNJSA-N 486.641 5.982 30 20 JKED Cc1cc(Br)c(NC(=O)CON=Cc2ccccc2OC(C)C)c(Br)c1 852284706 RLMVYZDCCBLXPI-UHFFFAOYSA-N 484.188 5.296 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccc(F)cc3)C2=O)cc1 916209686 QKLZOMKHJPMVHE-QHCPKHFHSA-N 493.535 5.328 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O 916211310 MCXPWCCVGDNVLC-SFHVURJKSA-N 479.936 5.373 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccco3)C2=O)c(OC)c1 916217433 NCNMFIRWBAPWML-QFIPXVFZSA-N 493.585 5.074 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)cc1OC 916217584 QPIFTFFVONYXMP-LJQANCHMSA-N 494.400 5.133 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916905877 NXPDKFWENMRXFC-NRFANRHFSA-N 483.549 5.962 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916932169 RKXJCJYCEIHECL-IINYFYTJSA-N 472.191 5.584 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916932459 VXFVFVHUVHLHKS-GOSISDBHSA-N 458.345 5.473 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2cc(Br)ccc2OC)cc1 916956269 ZEQDXJDBEBJVSF-MGPUTAFESA-N 485.378 5.282 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916976505 PXLBUZVVYGQTIM-LJQANCHMSA-N 494.045 5.938 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997021 QQPJEHAQFATBHU-SGTLLEGYSA-N 490.437 6.432 30 20 JKED CN(Cc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1)C(=O)OC(C)(C)C 917113160 WKOXDUSRCAAVHC-UHFFFAOYSA-N 487.625 6.470 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1 917518316 ZURYUWIIRCOUJW-FARCUNLSSA-N 492.167 5.126 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cs1 917559923 FPWCFHVJCQGOHT-LCAIAVFMSA-N 459.527 5.874 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C(C)C)c2)n1 917712131 FBYXFWHZEXRLGA-DEOSSOPVSA-N 490.604 5.813 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc1 918449365 MSNQAPFAIKEYMD-RRPNLBNLSA-N 479.967 5.840 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Cl)c3cccnc23)n(Cc2ccc(F)cc2)c1C 919258319 CIKZHAUSUTYSPX-UHFFFAOYSA-N 490.922 5.161 30 20 JKED Cc1cnc(O)n1-c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 919986163 XRGDPYMMGXMRDI-UHFFFAOYSA-N 483.475 5.076 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 920108841 AVXSHXLEHWJBJI-HXUWFJFHSA-N 454.452 5.195 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)c1 920109262 NGXLDIIKRUXMQB-LJQANCHMSA-N 497.382 5.418 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCc3cc(F)ccc32)C1=O 920170010 IPLJKQBQESPKIZ-VWNXMTODSA-N 489.572 5.482 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(Cl)cc1F)C2 1779275553 TUGYPBUOYUCARV-QVJSAIJNSA-N 483.411 5.028 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1781740551 ZPHHZKYENAVEHZ-AQEANLGOSA-N 487.644 5.154 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C45CC(C(F)(F)F)(C4)C5)cc3)CCC2)c1 1786462146 ZUFAXVCTACTZQN-UHFFFAOYSA-N 453.464 5.039 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(Br)cnc5s4)CCC3)cc2)CC1 1787880004 HMPOXBQTCMTTPZ-UHFFFAOYSA-N 495.402 5.110 30 20 JKED C[C@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788648563 LRMLBFSFNIPFIR-IENJSVCTSA-N 462.571 5.093 30 20 JKED COc1nc(C)ccc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508152 QPKUTKJPEGIARF-UHFFFAOYSA-N 477.681 5.197 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)c1 1789880798 KUVUIBQOFUHHBB-KRWDZBQOSA-N 492.501 5.789 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789993616 IQSDNOFCJYBFFF-UHFFFAOYSA-N 466.541 5.374 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4csc5c4CCCO5)CCC3)cc2)c1 1790072624 JBFHELQYLKDDFY-UHFFFAOYSA-N 487.581 5.015 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)n[nH]1 1790128301 JQHMOFPERUNWPP-UHFFFAOYSA-N 464.686 5.332 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccco4)CCC3)cc2)cc(C(F)(F)F)c1 1790785303 DAGPTWMOOZTCTB-UHFFFAOYSA-N 453.420 5.232 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cncc(C(F)(F)F)c4)cc3)CCC2)cc1 1791772849 ZVZQCLYTWOCCAH-UHFFFAOYSA-N 492.501 5.353 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)c1 1792123783 QLJBAKYIOZOFEY-HXUWFJFHSA-N 474.564 5.923 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CNc5ccccc54)CCC3)cc2)cc1C#N 1792168366 RVRDCWJVHLSBJL-RUZDIDTESA-N 494.595 5.302 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)C2 1798591984 XRJGCEVMVXCLKM-BJWYYQGGSA-N 456.936 5.603 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccoc1C(F)(F)F 1800503999 NPFRQHKKWVXXKY-NUNAXRQHSA-N 492.497 5.264 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2cc(Br)ccc2c1 1801017681 OJRHZJXMGTWBPS-WKCHPHFGSA-N 484.438 5.242 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccc(F)cc1)C(C)C)c1ccc(O)cc1 1802147689 NQINKSXVSHFXGF-XVKGIFQBSA-N 490.619 5.106 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1803561631 JCRSAAYNJFJMPI-POURPWNDSA-N 491.676 5.046 30 20 JKED CO[C@](C)(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1)c1cccc2ccccc12 1803677027 YRJZEDXOVDSAKT-BWLMFSAKSA-N 495.623 5.280 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)c1 1803679167 MMRDAICLFOZEFU-JTMVAAEOSA-N 478.596 5.250 30 20 JKED Cn1c(CC(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)cc2ccccc21 1805311937 NPVLYMQXJKDOIJ-UHFFFAOYSA-N 491.752 5.003 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3c(Br)cccc3-c3ccccc3)CC2)C1 1809511430 DRYNCVMYPURFTN-UHFFFAOYSA-N 494.433 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@H]1c1cccnc1 1810489123 KDQCPVLPXVVSFZ-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1810502468 JIFBELDUSKFGBU-IFMALSPDSA-N 489.538 5.292 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(F)c(Cl)c3)[C@H]2c2cccnc2)cc1 1811788992 QTBKVFQDGYPSKA-FDDCHVKYSA-N 497.357 5.033 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)[C@@H]2c2cccnc2)CC1 1812790892 YPBKGTUHPWABQM-IEJAEOBLSA-N 472.633 5.188 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1813864754 CNCLKRVRVLBOOH-RMQVNJIYSA-N 498.627 5.541 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@@H]1c1cccnc1 1813989916 AKLKPWQCGUUSIO-OEQAEZTDSA-N 485.603 5.343 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1814067113 QVAMTAUAGCJTEL-HWHRFOGPSA-N 477.571 5.225 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCc4c[nH]c5ccccc45)sc3C2)c1 1815623032 DPMVKOOCWYXXGJ-LAUBAEHRSA-N 497.624 5.110 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4nc(C)ccc4o3)sc2C1)c1ccccc1 1815868009 YSQDYZPUZUCJPI-WOJBJXKFSA-N 498.608 5.016 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)cc1 1816827717 SVWAMYDDZKEDRW-AREMUKBSSA-N 477.568 5.178 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)C4(C#N)CC4)n[nH]3)ccc21 1817111144 DSTIJYWGKCVMAM-XMMPIXPASA-N 480.572 5.147 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817945984 USUKTGRNKCNYGY-HXUWFJFHSA-N 484.000 5.142 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(OC)ccc3o2)n[nH]1 1819002956 XTJPAKKXGWTLOY-FPOVZHCZSA-N 462.550 5.239 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc3c2CCCC3)n[nH]1)c1cccs1 1819045576 AALMECDGEKQCRZ-VYENPZKTSA-N 494.642 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)[nH]n1 1819308068 UQMYPGPAJWJOOY-YKSBVNFPSA-N 479.600 5.223 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)[nH]n1 1819554492 CKMLYQIVWOLCPF-KRWDZBQOSA-N 472.973 5.090 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820088884 BQWPUSGZNAFMMA-UWJYYQICSA-N 487.560 5.048 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@@H]4CCC[C@H]5CCCC[C@H]54)[nH]n3)c2c1 1821382242 YKNWYXLOXVMQFH-FIXDAVPBSA-N 499.619 5.070 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccncc34)n[nH]2)c1 1821416129 LHMZWQYQVRLMQL-AVRWGWEMSA-N 478.556 5.205 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](C)Oc2ccccc2)n[nH]1 1821783720 DGBRXKNFIFCIRJ-DENIHFKCSA-N 452.599 5.252 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 1822252252 UBMSBCKLQFIRKN-JAXLGGSGSA-N 497.437 5.162 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccccc3)n[nH]2)cc1C#N 1822329130 LXRFWKNIJQYTDJ-SONWIMMPSA-N 497.599 5.178 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(C)cc2Br)[nH]n1 1822582349 KZQCNGRSCLYNGS-FQEVSTJZSA-N 489.389 5.119 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823210247 ALLIZVQIHWUNPL-MWTRTKDXSA-N 459.525 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)[nH]n2)c1 1823217427 SHZDKOXDMRTXQU-UZUQRXQVSA-N 467.529 5.403 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)[nH]n2)c1 1823217454 SXEGMMVXIQWRTI-FMNCTDSISA-N 467.573 5.073 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)cc1 1823275529 YCGNGLYFZCRAFI-OAQYLSRUSA-N 497.933 5.152 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n[nH]1 1823301420 VTVWFRGQGZRYBH-INIZCTEOSA-N 474.405 5.085 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3N=C(C)CC3=O)cc2)CC1 1823753859 KOANUHKPUHISPU-RUZDIDTESA-N 492.664 5.025 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1823887831 OSIGAGRFYOCUSG-HSZRJFAPSA-N 457.574 5.369 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)c2ccccc12 1823890454 XBOQRUMMNQOPCT-AREMUKBSSA-N 459.634 5.250 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1824141572 VZKFIAJMOLZBPZ-NRFANRHFSA-N 466.544 5.609 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1824322782 FDKCVGBBRIEYPJ-WXVAWEFUSA-N 487.644 5.188 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1824496914 AOQBLYSMTYHVLB-MHZLTWQESA-N 477.649 5.206 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1824540339 XJTQKGAVMQVFTK-SFTDATJTSA-N 487.632 5.276 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)CC2)c1 1824922413 IHUMMUNZZCOTSZ-IDISGSTGSA-N 487.619 5.418 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)ccc1F 1825094353 SOCPBQRLEMAAGG-IOPHVTJRSA-N 498.602 5.054 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1826315458 ZUPCEPKBLAXEPD-MXJXRJBTSA-N 456.030 5.147 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)CC1 1826370182 PEQMTLLJSLTYOQ-RUZDIDTESA-N 454.655 5.240 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3c(Cl)cccn23)CC1 1827369899 DQWMTSUPXMJQAR-NRFANRHFSA-N 471.045 5.213 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1)c1cccs1 1827683244 YJRJHEKRFKMZPG-RQWLHQTBSA-N 476.598 5.167 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1C 1827684195 YXTMYYQXEMXNBV-YSESTWPTSA-N 464.631 5.037 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827772513 APPBNOKIJWNHJI-JOCHJYFZSA-N 495.662 5.318 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828527886 YYVBVJXQEYQATA-SANMLTNESA-N 477.649 5.475 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cnccc3nc2C)CC1 1828535753 BLMMHGBDJMBJAO-VWLOTQADSA-N 462.638 5.164 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828743626 DJQGFBGEMVYZTQ-RUZDIDTESA-N 474.004 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cnc2OCC)CC1 1828826618 JFVJTJAUOPBILE-FYYLOGMGSA-N 474.045 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1828827675 RFYLWUKMWIWTIW-FTJBHMTQSA-N 493.648 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1829068800 RCAUYRQXKGXXBK-RUZDIDTESA-N 495.664 5.259 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829069176 NIKWPRGNFQLWSD-QHCPKHFHSA-N 489.664 5.232 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829955661 OEYUJBAGHVRSIR-VWLOTQADSA-N 475.658 5.201 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c1 1829974652 YPOIWZZJFXUVIV-CLOONOSVSA-N 464.009 5.514 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2noc(-c3ccccc3)n2)CC1 1830130937 LHJWNWZULVVDIS-LOSJGSFVSA-N 490.648 5.057 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)ccc1F 1830362101 MDPYPZIKJJDUAP-MHZLTWQESA-N 473.592 5.051 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1830397123 HAFPHWYSBYGHCN-SMIHKQSGSA-N 489.701 5.068 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830411890 XZVFLOFZFSLDJV-IUKPUOCZSA-N 489.660 5.578 30 20 JKED O=C(C[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601610 GHUJTADQUZYSQD-XZWHSSHBSA-N 498.667 5.279 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2Br)CC1 1830686216 GTMXYOGLEOEBLH-HNAYVOBHSA-N 483.397 5.173 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1830710474 VORZBGZEMQDAGY-UXHICEINSA-N 496.599 5.055 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)c(Cl)c1 1830721491 MUFJNXBSOMIZAZ-DEOSSOPVSA-N 484.427 5.341 30 20 JKED COc1cccc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830723006 CFOXAPIROIPHNU-OXXZUKKGSA-N 492.019 5.167 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c(Cl)c1 1830725043 XPCHTXXKUIRJJX-VUDCNRLCSA-N 468.041 5.271 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1)C(F)(F)F 1830737544 VJFGZSVHJHOOLR-QGZVFWFLSA-N 481.317 5.484 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)s3)CC2)cc(C(F)(F)F)c1 1830754743 GOCVVDKYABXVPP-IBGZPJMESA-N 493.526 5.325 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)c1 1830769708 VWYKCPYDLHCMSH-MUUNZHRXSA-N 480.612 5.270 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)CC1 1830889015 CLRQYESGEMMUOI-NFBKMPQASA-N 453.652 5.540 30 20 JKED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2CSc2ccccc2)CC1 1831324069 XPMCFXJOQHDFOT-XMMPIXPASA-N 482.596 5.124 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc(Br)cnc23)CC1 1831375733 DLQZLXRYTVCPQV-WZONZLPQSA-N 498.465 5.443 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)cc3Cl)CC2)c1 1831772874 AXUWUJLSWKSJRT-UPXASZCJSA-N 495.982 5.003 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)c1 1832709761 AIOCGLLEIYGVCH-QHCPKHFHSA-N 487.497 5.263 30 20 JKED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)c2c3ccccc3n3ccsc23)C1)c1ccccc1 1844644593 PMTMAPXKIQESND-QFIPXVFZSA-N 481.621 5.168 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)C1 1844648910 OBLCRBGMBUPJIY-UHFFFAOYSA-N 456.590 5.039 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC12CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2 1845535349 UJXXGIOUEZBDJB-INIZCTEOSA-N 456.373 5.060 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1 1845736453 XWLPTOALXHAGBA-UHFFFAOYSA-N 472.661 5.454 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)ccc1Cl 9803468 DYCDPRDTBIKNBL-UHFFFAOYSA-N 451.939 5.219 30 20 JKED COc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2-c2ccc(Cl)cc2)c1 9964657 QEPVXRWELFCIED-INIZCTEOSA-N 489.988 5.587 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2cccc(CO)c2)cc1 10172844 RWQMVEWSKCIGNC-UHFFFAOYSA-O 471.549 5.242 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)cc1 10178996 YQEBNOVNZUZKKZ-UHFFFAOYSA-O 452.770 5.691 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)nnc1-c1cccc(C)c1 10241223 VQFUMZZPXQUAJT-UHFFFAOYSA-N 464.925 5.425 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@@H]1c1cccc(C#N)c1 10360276 PKNJKQVLHSGSPO-AREMUKBSSA-N 482.609 5.532 30 20 JKED COc1ccc2cc(CN(C)C(=O)CSc3nc(C)cc(C(F)(F)F)c3C#N)ccc2c1 10399643 FZVREJPWMYKVAI-UHFFFAOYSA-N 459.493 5.193 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)nnc2-c2ccncc2)cc1 10731751 QXKVNZSFSWEYRI-MRXNPFEDSA-N 474.977 5.282 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 11153746 CZYXTEFSCNOHNU-UHFFFAOYSA-O 485.698 6.911 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2cccc(Cl)c2C)[n+]2ccc(N(C)C)cc2)c(C)s1 11258957 KXKXFTDYELUJNC-UHFFFAOYSA-O 459.060 5.731 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nc2sc3c(c2c1=O)CCCC3 11299120 WCMJFLRJBVACOO-UHFFFAOYSA-N 471.007 5.519 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)ccc1Cl 11324645 AOJPNCUXRHJVRA-UHFFFAOYSA-N 478.908 5.339 30 20 JKED C[C@@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16773972 DBQHYNWPYVFGAB-MRXNPFEDSA-N 474.977 5.033 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1[C@@H]1COc2ccccc2O1 21088421 ZUUFZJQXNSZPMF-SFHVURJKSA-N 490.557 5.022 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)nnc1[C@H]1COc2ccccc2O1 21243897 LBNYVJLDLFWGGA-XMMPIXPASA-N 489.597 5.807 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2/C(O)=N/c2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)o1 22298121 ZTNDUGXVFRMHBS-HDICACEKSA-N 477.590 5.143 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1cc(F)ccc1F 22733061 FVZSKGCORRQBNR-UHFFFAOYSA-O 454.305 5.316 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc3c(c2)CCCC3)cc1 22801528 XVOCXMBAKNCRHC-UHFFFAOYSA-O 486.082 5.348 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCc2ccco2)c1 24069382 HAQPXMZYKSPZRT-SFHVURJKSA-N 472.994 5.065 30 20 JKED N#CCc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 26383895 WFNJMEIIKNVOTG-UHFFFAOYSA-N 467.497 5.337 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1 26836583 IWYPSJOORUMTOJ-LJQANCHMSA-N 467.664 5.015 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)Nc2cccc3ccccc23)[n+]2ccc(N(C)C)cc2)c1C 28695773 FIUWKVAVYRXVSM-UHFFFAOYSA-O 485.633 5.392 30 20 JKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSc1nc(-c3ccccc3)cs1)CCCC2 33144273 FWPPUEBGSUYJBM-GOSISDBHSA-N 478.643 5.272 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1Cl 46861636 FHGRZZAQDDXUCM-OAQYLSRUSA-N 496.792 5.517 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)CCN3c4ccccc4Sc4ccccc43)CC2)cc1 105282690 SDIQIRSJDSDZHC-UHFFFAOYSA-N 468.626 5.286 30 20 JKED N#CCCCOc1cccc(/C=C(/Cl)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)c1 110420371 IKELSACMHABIAL-SFQUDFHCSA-N 453.976 6.133 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 195568807 QGECQSHIZWAKRT-CYBMUJFWSA-N 465.381 5.547 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2nc(-c3ccccc3)[nH]c2C)cs1)c1ccc(F)cc1F 207192777 KIEJTSDPWFJSAW-LUAWRHEFSA-N 464.497 5.701 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 303015725 KQPFRBCOBTVKKF-UHFFFAOYSA-N 488.572 6.227 30 20 JKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 303187699 LNPYBXBNVKOKGT-KRWDZBQOSA-N 498.398 6.772 30 20 JKED C=CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482249638 WYVLDRMOFCLLHW-GOSISDBHSA-N 461.465 5.974 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccco2)c1 499409450 VJIJPBAVWXHICF-QGZVFWFLSA-N 458.967 5.148 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1C 499688317 ZDVFOVCBNSIDOS-UHFFFAOYSA-N 489.579 5.536 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc(C(F)(F)F)cn1 502675060 LKINUYRNSWIVOO-IBGZPJMESA-N 457.477 5.613 30 20 JKED N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 506613063 PWHQGOXIAZLOTK-UHFFFAOYSA-N 478.581 5.067 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 510272722 YRIYFNIOTGVDQD-UHFFFAOYSA-N 456.502 5.422 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(OCC)c(OCC)cc1Br 510999030 MEWBGBNCACKUBR-UHFFFAOYSA-N 460.372 5.562 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(OC)c1 511538810 KRBFQFLOTJUCTA-XMMPIXPASA-N 470.529 5.197 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 512559919 NWVIRPJLLBYECA-SFHVURJKSA-N 481.339 5.352 30 20 JKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1 513196521 FYAPOCZFSAIVSY-OAQYLSRUSA-N 476.458 5.760 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c12 517461985 XGCPPQHSYRJLCJ-UHFFFAOYSA-N 482.487 6.475 30 20 JKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(OCc2ccccc2)cc1 517847838 BTBPBTZNZVAPBA-DEOSSOPVSA-N 473.479 5.512 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1)c1ccccc1 517862587 VBYQTUCXSHKNQH-UHFFFAOYSA-N 461.521 5.666 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4F)c3C)n2)cc1 518516782 YFXQUKFXOHFJBB-KRWDZBQOSA-N 450.470 5.081 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 518668277 YRBXYYCMXRSVDX-GOSISDBHSA-N 458.612 6.164 30 20 JKED Cc1nc(-c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2)cs1 518902374 QZIRLANOCLYZIA-UHFFFAOYSA-N 458.503 5.056 30 20 JKED Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1 520196822 FKFJIXBOUFBFLF-HXUWFJFHSA-N 472.614 5.641 30 20 JKED COC(=O)c1c(NC(=O)CNc2ccccc2S[C@H](C)CC#N)sc2c1CC[C@@H](C)C2 520943804 MQTIYSRMROGRJV-HUUCEWRRSA-N 457.621 5.104 30 20 JKED N#Cc1cc(NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)ccc1OCC(F)(F)F 522196700 DNVXMBRYSYQMTM-UHFFFAOYSA-N 460.387 5.147 30 20 JKED C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 524278243 JRYSORVPNWVHMZ-LLVKDONJSA-N 465.387 5.415 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccccc1OC 576419837 FOYOBNUERIGEJO-HNNXBMFYSA-N 474.989 5.071 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1 588250160 RPCNBRWCXHHTGL-FQEVSTJZSA-N 467.013 5.111 30 20 JKED Cc1c(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cccc1OCC(F)(F)F 590029751 YGJRGIGPGXBEMN-UHFFFAOYSA-N 489.409 5.154 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1ccc2ccccc2n1 591862044 KMZQTOBHWYFALA-JOCHJYFZSA-N 457.489 5.711 30 20 JKED Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1NC(=O)c1ccccc1 603587596 DXHOLJPHDMFEEH-UHFFFAOYSA-N 485.594 5.515 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N[C@@H](c3ccccc3)c3cccs3)c2)c1 604007001 JIVYAGGZCRTBPY-MHZLTWQESA-N 453.567 5.516 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 604025401 GYIDFLWRBUZQPU-UHFFFAOYSA-N 469.969 5.080 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604084971 PNLIAFCJGSJESD-VWLOTQADSA-N 484.003 6.482 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc2Cl)cc1 604088218 LKQHPBLJGGTIMA-LJQANCHMSA-N 474.948 5.887 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1Cl 604452038 ISFHIMCNAIFTTL-QHCPKHFHSA-N 475.976 6.363 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 604525232 UDMXYOZLIPKZGH-UHFFFAOYSA-N 461.568 5.293 30 20 JKED COc1cc([C@@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OC1CCCC1 609057448 OPOUFNKLTYVKMK-GOSISDBHSA-N 460.530 5.551 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(I)cc1 609062380 IGYNCLHJVURPMG-UHFFFAOYSA-N 468.294 5.303 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 609078398 OJQWCHNRMKVQAY-MHZLTWQESA-N 454.574 5.404 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2F)c1 609105896 DRBAMYZNSDTHTP-OAQYLSRUSA-N 491.950 5.421 30 20 JKED N#CCn1c(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc2ccccc21 609175455 FZHZUXWYOJKUQA-FQEVSTJZSA-N 455.345 5.105 30 20 JKED CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)c2cc3ccccc3n2CC#N)nc1C 609215592 FJQSWRVHIWVPJT-UHFFFAOYSA-N 476.533 5.093 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(OCc4ccccn4)c3)cc2)c1 609437148 SLBIMWPNCUMYEP-UHFFFAOYSA-N 450.498 5.646 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 616220245 RHSHMYOADBCCRR-SECBINFHSA-N 472.307 5.559 30 20 JKED O=C(Cc1csc(Cc2ccc(F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620386207 NMWHJJOJXOLJSM-BETUJISGSA-N 454.411 5.005 30 20 JKED O=C(Cc1ccc(OC(F)F)cc1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517035 XYQCKVBPEWZPHA-KRWDZBQOSA-N 483.355 5.468 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1 668820916 ZJGWKKOOWAWULX-LJQANCHMSA-N 475.639 5.202 30 20 JKED C=CCN(C(=O)CSc1ccc2ccccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 680462115 FVMKGTPSURPYRS-UHFFFAOYSA-N 494.663 5.678 30 20 JKED C=CCN(C(=O)CCc1ccc(C)c(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 684073529 IMGVGFOEEMQVBW-UHFFFAOYSA-N 475.035 5.327 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 726111521 KMTJHBREFLNORZ-VFNWGFHPSA-N 499.637 5.442 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2sccc2C)cn1 726116515 FUUCFMMVBYKFJG-FQEVSTJZSA-N 481.647 5.050 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(Cl)cc1 726396483 FFMHINVNXQZGMI-JXFKEZNVSA-N 459.999 5.034 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccccn1)c1cccs1 726421134 LBHZCQWJVQBGJE-HIRGKPKYSA-N 485.034 5.387 30 20 JKED C=CCOc1ccccc1CN(C(=S)N[C@H](C)c1cccs1)c1ccc2c(c1)OCCO2 726446370 ZXHPREFJCRXBSN-GOSISDBHSA-N 466.628 5.726 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cc(C)n(C)c1C 726570991 PQTBFJRUMOAIIV-UHFFFAOYSA-O 452.003 5.340 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCO2 727274635 JHXSRPKRJHUVSB-UHFFFAOYSA-N 490.581 5.545 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1 728148084 RZPFDSPBBZICBQ-RUZDIDTESA-N 485.971 5.632 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1F 728426409 UAHIIQSDNUJASC-UZUQRXQVSA-N 487.560 5.122 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cs1 729151107 PAHDHVFURAZDOG-XYOKQWHBSA-N 463.773 6.610 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 729244571 CAOFJZSIECLAPU-UHFFFAOYSA-N 460.889 5.055 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1 730530060 BMQPHWWDAXRHMA-OAQYLSRUSA-N 469.513 5.281 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)[C@@H](O)C3CC3)c2C#N)C(C)(C)C1 730882473 FTNAVUVIBMPMGN-XBGMYJNYSA-N 482.627 5.020 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)[C@H]2c2cccs2)cc1 730994300 JCBPGBOIFOIJIP-KHOMTPLRSA-N 475.639 6.041 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCc2cccc(F)c2)C1=O)Nc1cccc(O)c1 731312603 NFHXYBVVBXKSAV-QFIPXVFZSA-N 499.514 5.013 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731313091 SLWWWOUAQFGLDL-JOCHJYFZSA-N 477.611 5.103 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cc2)c1 731331797 QMCMYLWJHJTZSH-UHFFFAOYSA-N 458.495 5.170 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(CCc3nccs3)C2=O)cc1 747599244 IOEWVUVRNVPZPP-OAQYLSRUSA-N 478.643 5.271 30 20 JKED COc1cc2c(cc1NC(=O)N1CCN(c3c(C#N)cnc4ccccc34)CC1)oc1ccccc12 748822717 JOFVZMRMHDLIQV-UHFFFAOYSA-N 477.524 5.369 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)cc1 750688559 FHZNOBIPKDQYJQ-ISKFKSNPSA-N 476.374 5.710 30 20 JKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Br)c(O)c(OC)c3)c12 754208387 HBVMXUQVOGIDHG-KTKRTIGZSA-N 466.335 5.156 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1nc(-c2ccccc2)no1 759895677 PUKIHMVBXONCCD-QGZVFWFLSA-N 484.537 5.257 30 20 JKED C[C@](C#N)(NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2)C1CC1 791302762 ZHGMJWCORBXQNV-SUGRSGNASA-N 465.553 5.077 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 799220154 AHAIWYNJBJJAAZ-HNNXBMFYSA-N 459.852 5.002 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 800374149 KARXWTBRLKSKNJ-FQEVSTJZSA-N 455.558 5.027 30 20 JKED C[C@H](OC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 825366274 UVMDHRCTAOJCIW-VIFPVBQESA-N 473.765 5.018 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1 836620472 DAQPZTLZKNXCPN-UHFFFAOYSA-N 458.543 5.269 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2C)C1=O 837513182 ASWRIXWLQIBALP-QHCPKHFHSA-N 459.571 5.164 30 20 JKED O=C1CC[C@@H](c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)CN1CC1CCCC1 856566737 PYPHEAFUCDXHAJ-OAHLLOKOSA-N 493.423 5.922 30 20 JKED O=C(c1ccc(OC(F)F)c(Br)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 883978156 GUHUCAIPJXRGEG-RKDXNWHRSA-N 470.154 5.253 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCc1ccncc1 912803674 YNWWJJHTLRICPE-UHFFFAOYSA-N 465.966 5.089 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCCC2)c1 913118508 VNIDDOAWSAAJPL-QFIPXVFZSA-N 499.036 5.510 30 20 JKED Cc1cc(S[C@H](C)C(=O)OCc2noc(-c3ccsc3)n2)n2c(nc3ccccc32)c1C#N 913258264 UGKHNMIWFFDPHF-CQSZACIVSA-N 475.555 5.003 30 20 JKED N#Cc1cccc(CNC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)c1 914483196 OFVUQPRUIIHGSA-UHFFFAOYSA-N 474.636 5.757 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(Cl)c2)c(C)s1 914694871 WVGCPRSJLLEAKA-DJJJIMSYSA-N 462.040 5.380 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)cc1 915087225 QRTAFVHGKIZEPW-FQEVSTJZSA-N 486.622 5.413 30 20 JKED N#C[C@H](C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2ccccc2n1C(F)F 915106556 CWVFWZWMTZFPKW-ZHPNZGNWSA-N 462.338 5.732 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 915293548 QVGKDNAHVHSFJV-LJQANCHMSA-N 483.265 5.107 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(OC)c2)c1 916205526 JUGZUSDJUIVEDH-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(Cl)cc1 916212033 UBRHRPGVQNYUMY-QGZVFWFLSA-N 469.916 5.729 30 20 JKED Cc1ccc(Sc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])cc1 916911239 VCJJJIMNBJRQPA-KRWDZBQOSA-N 465.918 5.669 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc(-c3ccco3)nc21 916937797 GKHIKBVXGYDLPU-OAHLLOKOSA-N 465.872 5.026 30 20 JKED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916966511 NWAMVACQMLPQSG-OAQYLSRUSA-N 478.957 5.365 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cs2)cc1 916975286 WXRVYQURZHPKTD-OAQYLSRUSA-N 459.596 6.060 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975780 FKMBWFAIFHUWSL-IAQYHMDHSA-N 479.758 6.009 30 20 JKED COc1ccccc1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 916997189 SVEJUWFRKPPOMA-CJNGLKHVSA-N 486.380 5.355 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045642 ZETBXWLCFGHDOO-HIFRSBDPSA-N 477.895 5.193 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)n2)cc1 917047178 STONNAQPMKVWFV-INIZCTEOSA-N 452.923 5.207 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Oc3ccccc3)cc2)cc1 917612495 UQXISBCZDJTLEQ-UHFFFAOYSA-O 492.624 6.914 30 20 JKED Cc1cc(C)c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)cc1C 917613737 RSGWUABAIYWGLB-UHFFFAOYSA-O 456.635 6.392 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccs1 917703110 LRXLYTIOBBRSEH-HXUWFJFHSA-N 482.537 5.058 30 20 JKED N#Cc1cccc(OCC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 919873315 NQAYSKJDRJBEMF-UHFFFAOYSA-N 454.408 5.239 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 919904258 CHXMZFKUWAYWKK-RUZDIDTESA-N 472.976 5.375 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920323287 HTOQBODDRDHPKK-RXVVDRJESA-N 484.408 5.527 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc3cccc(F)c3c2COc2ccccc2)n1 920326738 AHKHPTOWPXNORI-OAHLLOKOSA-N 480.542 5.743 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c(C)c1 920353074 AFHDXFYUQAQQFJ-QFIPXVFZSA-N 498.555 5.347 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2c(C)noc2C)C1=O 920355512 NBBYRKUZFZJODZ-NRFANRHFSA-N 498.992 5.114 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccnn5C)c(Cl)s4)CCC3)cc2)C1 1785806670 LPTLZVZNZYFWRR-UHFFFAOYSA-N 481.021 5.516 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)NNc4ccccc4)cc3)CCC2)c1 1785851519 LXZYOAXTSDUEJD-NHCUHLMSSA-N 481.600 5.067 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@H](c3ccccc3)C(C)C)cc2)CCC1 1786183182 DGAOSXQJMUEBQP-VWLOTQADSA-N 462.590 5.070 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5nc(C)ccc5o4)cc3)CCC2)c1 1788321583 AMGRWLGTMKVBMA-UHFFFAOYSA-N 480.524 5.078 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@H](O)c3ccccc3Cl)CCC2)cc1 1788649027 ZNFADCVFPIKBKU-JHUUHBRDSA-N 495.000 5.008 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cs3)cc2)CCC1 1788677762 PLWWREASVJBYSV-AWEZNQCLSA-N 478.412 5.059 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1789558390 JASGFPCUAZVXTK-ABSCKSGRSA-N 487.556 5.109 30 20 JKED CC(C)N1CCC(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)CC1 1790081977 VQQGIAPYKALDDM-UHFFFAOYSA-N 479.024 5.080 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccccc4[N+](=O)[O-])CCC3)cc2)c1 1790258237 VHPJDUBRENEZBD-UHFFFAOYSA-N 486.553 5.006 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCc4cccc(Cl)c43)CCC2)cc1 1790512760 CHDSZPYFDARWLB-NRFANRHFSA-N 480.992 5.013 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)CCC2)cc1 1790567612 NSBGUEHFWVKAIV-INIZCTEOSA-N 486.956 5.105 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)cc1 1790708066 OQHOKARRJRIKQG-UHFFFAOYSA-N 490.563 5.594 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)c(Cl)c1 1790767178 MDBZREKFNKLBSP-UHFFFAOYSA-N 454.313 5.520 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CCC1 1791408891 PUENEQSCPUMHIH-NUNAXRQHSA-N 495.664 5.226 30 20 JKED COc1ncc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792122291 NQGUBFAYPZJDLX-QGZVFWFLSA-N 488.975 5.432 30 20 JKED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCCCCCCCCc4ccccc4)[C@H]3C2)CCC1 1792219611 YUSZJTMCDUPZBH-QKDODKLFSA-N 493.692 5.023 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccccc3)CCCC2)c1 1792862338 NACVLVIBLQZDCX-YEHREXKJSA-N 455.602 5.077 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccccc3c1Br)C2 1801697654 RNLQKYXDPAAVTQ-BJWYYQGGSA-N 477.349 5.066 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)[C@H]2c2cccnc2)C1 1802413100 KZEHYPUJMVCMJE-OFVILXPXSA-N 478.036 5.219 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccnc1 1802495706 MRFCBOSTJYYUNO-ILBGXUMGSA-N 463.622 5.182 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1803084634 UOHUVWODQYPKHE-DHLKQENFSA-N 474.630 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)c(C(F)(F)F)c2)c1 1803865214 IQIBLMWFJGVPIS-PPRPKMEESA-N 473.470 5.037 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C#N)cc3)C2)CC1)c1ccccc1 1804942996 RUJBPILUKWANQV-LXFBAYGMSA-N 471.645 5.162 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)C1 1805338376 SRXZOEHLABKTBC-UHFFFAOYSA-N 491.031 5.025 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CC2)C1 1806061089 QEYVBRANGKAAJO-RUZDIDTESA-N 490.673 5.029 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1808424299 YPWXPULIVQHOQC-SGYRORMPSA-N 493.673 5.050 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1810274015 ZPRGNIJHRIHVJR-SHQCIBLASA-N 487.676 5.199 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1 1811894694 ZRHFWPAEFMAQHV-AOYPEHQESA-N 460.622 5.269 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(Br)c2)[C@H]1c1cccnc1 1812590513 QCIAMMDZJFEGRI-XERREHJYSA-N 490.829 5.029 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[C@H]1c1cccnc1 1812590983 QMRKEFDSPDPXKX-IMVQFDEQSA-N 487.566 5.208 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1813937275 DEHJDBMUWUEHBM-WZONZLPQSA-N 473.951 5.101 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813977924 UGCWLBDCFLDGBY-BTYIYWSLSA-N 498.863 5.281 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@H]3CCN(C(=O)CC#N)[C@@H]3c3cccnc3)c(C)c2)cc1 1813979608 BNRDJIRDTHQBAK-POURPWNDSA-N 494.639 5.633 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccccc4)on3)n[nH]2)c1 1814364451 OLBUSGNALVKEMB-HOYKHHGWSA-N 494.555 5.311 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)cc1 1814497938 OVQBJSFCRZFYIX-NRFANRHFSA-N 487.560 5.184 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](S)C(C)C)[nH]n1 1817742400 FTADVNWRRCIMHH-XUZZJYLKSA-N 477.634 5.040 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc(Br)ccc3c2)n[nH]1 1818985054 PZCANUYSBVREIS-HXUWFJFHSA-N 494.393 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)[nH]n1 1819306741 DOHRLJFPOQGYAN-UZLBHIALSA-N 466.973 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[nH]n1 1819553907 ZAISSKKFIJOFFT-IFPZXYOKSA-N 489.664 5.772 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820080387 VKYURPLTYDQKCH-RUZDIDTESA-N 479.584 5.439 30 20 JKED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Br)cccc2-c2ccccc2)n[nH]1 1820206504 WKRKYLWXSQABOF-FQEVSTJZSA-N 492.377 5.059 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)[nH]n2)c1Cl 1820219099 KGLSCCAAPVSLQX-SFHVURJKSA-N 478.965 5.097 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3c[nH]c4ccccc34)n[nH]2)c1 1820736573 QOBBVEBTTJIXGJ-CJAUYULYSA-N 480.572 5.067 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)[nH]n2)c1 1821324584 ANVDYJJQIONENQ-AKFKNWHVSA-N 487.991 5.353 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc3ccc(Cl)cn3c2C)n[nH]1 1821561645 DNJNNHZSCCDPIE-IBGZPJMESA-N 483.016 5.318 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)[nH]n1 1821921654 WFBFLLXFMIYPCZ-AOMKIAJQSA-N 479.531 5.268 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1)c1ccc(O)cc1 1822466767 NAFQCYZRMHBYBK-RFWXGWTQSA-N 490.629 5.170 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)oc2ccccc12 1823683168 LHKNRQSDVUILBA-AREMUKBSSA-N 483.612 5.479 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c(C)c1 1823684630 BDICNVSUJIHIEV-HHHXNRCGSA-N 487.644 5.050 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1823753594 UZYPMPSSPZZIEM-GOTSBHOMSA-N 491.717 5.292 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)ccc2n1 1824052433 MGPIOJHHQBTKEU-LJAQVGFWSA-N 494.639 5.281 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1824138278 YFJRIQCUUJSZGY-XMMPIXPASA-N 489.701 5.020 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1 1824888352 BFTBSPYGVXPRKB-URLMMPGGSA-N 491.720 5.287 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccc(Br)c4[nH]3)CC2)C1 1828657035 VUUUBMOGSBKZAB-JOCHJYFZSA-N 484.438 5.130 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1828713122 BMVZHORPBVPMMG-OAQYLSRUSA-N 459.512 5.063 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2SCC)CC1 1829864956 MBQSRSAWJRQJSH-JOCHJYFZSA-N 455.668 5.195 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2F)CC1 1830091459 SNHLRVKHWBRNDH-XMMPIXPASA-N 474.668 5.249 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)cc1 1830575335 UKJLGGPVOLARCL-RUZDIDTESA-N 481.999 5.217 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177941 KOUPIEBNVMCBBS-LMSSTIIKSA-N 499.655 5.563 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3ccc(Br)cc23)CC1 1831376774 SJMCVTXIXWTEMQ-MHECFPHRSA-N 498.465 5.443 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1831693110 XBTDBMDDZTVLHQ-BHILXTBSSA-N 470.679 5.323 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3ccc(Br)cc23)CC1 1831851987 JCOGDAVLDBRPQC-DEOSSOPVSA-N 496.449 5.034 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1831853044 ITOJETWTFVQKCB-NRFANRHFSA-N 453.385 5.169 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 1832028516 QPLAPGXARUPFPC-XMMPIXPASA-N 499.493 5.294 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1)c1ccc(O)cc1 1832200494 REFCJNFXKLMJJA-AHKXTTOESA-N 499.655 5.007 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C)cc3Cl)CC2)c(C#N)c1 1832608029 VRXKIOYFMHPCGQ-AREMUKBSSA-N 494.035 5.005 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3nc(Cl)ccc3F)CC2)c1 1832633870 FLRWEIGQPFBMRA-VGOFRKELSA-N 482.987 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832635895 XXBYELBEYIBCDY-UZUQRXQVSA-N 499.989 5.792 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)CC1 1832666838 WYCHKNQMPOCCGP-HSZRJFAPSA-N 459.030 5.350 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832717547 OAEBBURMQFZGOX-HRAATJIYSA-N 486.962 5.183 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)CC1 1838681177 FHVKRXKPEITMEG-HSZRJFAPSA-N 474.645 5.486 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)C2)c1 1846431638 VPQNBORXLYJFLX-INIZCTEOSA-N 489.925 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CCc2cc(Cl)ccc2Cl)C3)c1 1846829869 CPVAYWBBIQVMGN-KRWDZBQOSA-N 470.400 5.070 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 11125255 AUJGDDOJXKDULL-UHFFFAOYSA-O 468.385 6.191 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(CC#N)cc2)c1 15029289 OIWCSZVPSZNOHQ-UHFFFAOYSA-N 465.962 5.040 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15247981 VUQFGKKBCUQSDF-UHFFFAOYSA-O 495.249 6.403 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccc(OC)cc1 16865041 LZQXRBZWMWSBIP-MRXNPFEDSA-N 493.658 5.461 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(OC)cc2)cc1 22731296 OUCGNUVBBLMLQB-UHFFFAOYSA-O 453.653 6.307 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 26982745 DVWASLZHXWXZMT-MRXNPFEDSA-N 463.632 5.518 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 32376637 HOXMNHMQZQMINU-QHCPKHFHSA-N 478.017 5.166 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 32788564 RVPCMUTXRDMTHB-HXUWFJFHSA-N 454.599 5.841 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(NC(=O)c2cccs2)n1 109904501 FBQMQLJZDRIVPS-UHFFFAOYSA-N 494.411 5.116 30 20 JKED Cc1nc(NC(=O)c2ccc(COc3ccccc3Br)cc2)sc1SCC#N 410415345 DAMCHTVKZKPOOW-UHFFFAOYSA-N 474.405 5.661 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3c(F)cccc3Cl)cc2Cl)cc1 484115176 YERHCLHZEYIAJI-UHFFFAOYSA-N 458.276 5.051 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccccc2SCc2cccs2)CC1 500041802 XTHZXIQLXFKWKM-UHFFFAOYSA-N 470.623 5.423 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1[C@H]1COc2ccccc2O1 501115354 YUCBAGFXEUKKEJ-AUUYWEPGSA-N 481.965 5.533 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)COc3ccc(Br)cc3)c2)cc1 501451730 PDPXADJWAXECRO-UHFFFAOYSA-N 451.320 5.112 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(SCc4ccccc4)cc3)CC2)c1 501699075 OYOOYRHRPZOCIZ-UHFFFAOYSA-N 455.583 5.341 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(OCC4CCCCC4)cc3)CC2)c1 502653644 MXHNXMWWXMTOOH-UHFFFAOYSA-N 460.578 5.400 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 508294776 ZCUXSIHWTIRBOD-QFIPXVFZSA-N 471.513 5.499 30 20 JKED COC[C@H](C)n1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C#N)nnc1-c1ccccc1 508942898 UCPKDWUDYAJGKL-KRWDZBQOSA-N 489.626 5.483 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509890130 IZLDFBQZCLYGMM-UHFFFAOYSA-N 465.557 5.456 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 510444640 YHZOJDYZHYEKCG-UHFFFAOYSA-N 452.370 5.786 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(COCc4ccccc4)cc3)CC2)c1 510844041 XWZYVXGMUNVPQT-UHFFFAOYSA-N 455.558 5.028 30 20 JKED CCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 511760492 XWDRJMJXWGMUBR-GOSISDBHSA-N 472.397 6.089 30 20 JKED C=CCN(C(=O)c1cnc(-c2ccccc2)s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 514561541 GFGFNYRFHGMWGI-UHFFFAOYSA-N 481.624 5.170 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 517460844 AHCHRXOJBBIOPD-UHFFFAOYSA-N 464.900 5.862 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCCCOc2ccc(Br)cc2)cc1 517486481 XNYKIUUFNWAMGM-UHFFFAOYSA-N 469.301 5.461 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)n1 517923735 GTFYUZSSRCIRPY-LJQANCHMSA-N 474.517 5.110 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 518652175 BRAQYUIWZAHHLG-QGZVFWFLSA-N 483.622 6.018 30 20 JKED CCOc1ccc(CCC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 518752934 DSYIGHJYADYOBY-FQEVSTJZSA-N 451.636 6.356 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccc(Cn4cnc5ccccc54)cc3)s2)cc1 521985356 JMCFDOPKTDIYBC-UHFFFAOYSA-N 478.581 5.325 30 20 JKED COC(=O)c1cc2cc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)ccc2o1 552878585 FFKZMUBMHZFKLR-UHFFFAOYSA-N 485.521 5.074 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 553070774 ACHGEESFKMLJOA-AUUYWEPGSA-N 477.417 5.880 30 20 JKED Cc1cccc(Oc2ccccc2NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 603650080 XMWYLFBRCKLAFJ-UHFFFAOYSA-N 469.501 5.261 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2COc2ccccc2Cl)n1 608846012 PJVJDXGOUKGUNE-HNNXBMFYSA-N 480.929 5.788 30 20 JKED CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609063239 SDAWMRSDYBFPTK-QFIPXVFZSA-N 467.978 5.245 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 609085520 HJUNJOCXFDKCKG-UHFFFAOYSA-N 481.474 5.062 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)o2)cc1 609177435 TZOPNNNIZXHGEQ-UHFFFAOYSA-N 458.499 5.140 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c12 609427501 FQJGJFFKRAWGCA-INIZCTEOSA-N 468.586 5.648 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c(OC)c1 609434384 BHRGMUCHSPXDBL-UHFFFAOYSA-N 487.556 5.788 30 20 JKED N#C[C@@H](C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1nc(-c2ccc(Cl)cc2)cs1 612941647 KXUAAWNCRGFUKF-QFIPXVFZSA-N 497.963 5.750 30 20 JKED CCCCCn1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c2ccccc2c1=O 613314450 PMAQBOFKLSGQCL-NRFANRHFSA-N 456.571 5.509 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1Cc1ccccc1 613344794 QSRPBASNRWEELM-SFHVURJKSA-N 467.381 6.160 30 20 JKED CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 613407296 PENFIXGHZOJFQR-LJQANCHMSA-N 488.034 5.393 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc2c(C(F)(F)F)cc(O)nc2o1 618139562 UFNAYAXUYUAYJB-UHFFFAOYSA-N 466.309 5.222 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(C)=O)c(Cl)c2)nnc1-c1ccc(Cl)cc1 660080804 YCCTTXCCUVAACR-UHFFFAOYSA-N 476.389 5.127 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@H](C)c1ccc(F)cc1 670021161 OMXPYZQCZSMRCW-MRXNPFEDSA-N 474.989 5.147 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)Cc2ccco2)cc1F 726411018 KCKCSZPNJICBDZ-OPAMFIHVSA-N 481.549 5.019 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(F)cc2NC(=O)c2ccc(OC)cc2)cc1 726527881 LEPMHHFDCCONEH-UHFFFAOYSA-N 487.531 5.153 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccc(OC)nc1 726891163 ZBIPYGATWULUPJ-INIZCTEOSA-N 499.807 5.197 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cs1 727781886 ZIHOMDZYVLNTPE-JLHYYAGUSA-N 480.014 6.809 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)N3N=C(c4ccco4)C[C@@H]3c3ccco3)c2)cc1 728668083 KTUOIOKPHWFVPM-HSZRJFAPSA-N 481.464 5.071 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1-c1cccc(C(F)(F)F)c1 728704295 CGOSIEJLVUEQSH-UHFFFAOYSA-N 483.877 5.836 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(CCCCC#N)C2=O)cc1 728779732 KFYMMRUNRFYLGY-OAQYLSRUSA-N 486.544 5.018 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1 729144716 XZRDLWVSMYRSQB-HXUWFJFHSA-N 482.606 5.368 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 729532112 YGRWYSFSACRLLK-ZDUSSCGKSA-N 485.656 5.495 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2cocn2)cc1 730719961 MAJSIUKKMSCCGU-LJQANCHMSA-N 488.491 5.162 30 20 JKED CC(C)CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731304737 AFICMEKJMSIRNI-OAQYLSRUSA-N 490.025 5.069 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@@H](C)c2cccs2)cc1 731312117 LAHMTKICVGUZAK-JCPNLMEESA-N 479.627 5.352 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OCc2ccccc2C#N)c1 731339546 YAWXTACJKFYPOQ-SANMLTNESA-N 482.609 5.131 30 20 JKED CCc1cccc(C)c1N=C1NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1 732798705 FAUMPYUXZUFURC-INIZCTEOSA-N 469.916 5.478 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn(-c2ccccc2Cl)c1 747561452 JVNYZAAMTHXRAF-LJQANCHMSA-N 456.889 5.279 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cscn2)c1 747603462 SCNOUTOQSODQKK-NRFANRHFSA-N 464.616 5.427 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)CC2)c1 749148352 XPXMCANXGTYDMA-UHFFFAOYSA-N 494.982 5.918 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 749333048 LYUVPVPLQVZZFW-CALCHBBNSA-N 476.390 5.422 30 20 JKED C=CCN(C(=O)COC(=O)c1sc(C)nc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 749482508 AGFOSMBEXUAJAF-UHFFFAOYSA-N 482.414 5.566 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc(Br)c1OC(F)F 750912150 CZPDTKRUMWJWFZ-FPYGCLRLSA-N 482.277 5.302 30 20 JKED COC[C@H](C)n1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnc1-c1ccccc1 751082555 BGSDNMZIZIFNLX-CPJSRVTESA-N 497.624 5.539 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 751082659 DYNDYBITECTHSX-ONJSCSTBSA-N 457.618 5.926 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(CC(F)(F)F)C2=O)cc1 799215510 UQXDUNXJKAHBQS-LJQANCHMSA-N 477.508 5.029 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2sc3c(c12)CCCC3)c1nc(-c2ccccc2)cs1 808664881 COKFBWKOMVIEFP-MRXNPFEDSA-N 462.625 5.662 30 20 JKED N#Cc1ccc(F)c(COC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1 811809799 XMHQGIGXAIBJTH-UHFFFAOYSA-N 482.924 5.086 30 20 JKED O=C(Nc1ccc(C/N=C\c2cc(Br)cc(Br)c2O)cc1)c1ccco1 818213267 HMWZTENJYQLFQB-JJFYIABZSA-N 478.140 5.382 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2F)cc1 838039102 BKPJNNHXDUBVDQ-JOCHJYFZSA-N 481.524 5.134 30 20 JKED C[C@@H](CO)n1c(C(F)(F)F)nc2cc(NCc3cc(F)c(C(F)(F)F)cc3F)ccc21 864039932 NPYXJSOJRFVAMO-VIFPVBQESA-N 453.333 5.518 30 20 JKED Cc1ccc(S(=O)(=O)c2ccc(NN=Cc3ccccc3OCc3cccnc3)cc2)cc1 915946012 ADUHZDZTYTZZQL-UHFFFAOYSA-N 457.555 5.248 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccccc2OC(F)F)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166731 PKBCDYUSWDORLX-IBGZPJMESA-N 481.421 5.472 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 916205198 MJILPOBAVOMEKH-FQEVSTJZSA-N 468.941 5.035 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(C[C@@H]3CCCO3)C2=O)c1 916207050 XDSPOSMHCIFNSI-PGRDOPGGSA-N 486.037 5.405 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)cc2)C1=O 916208600 MOSXHTKGEOJEOW-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(Br)cs1 916273373 ZGXSCFLBSRGELU-UHFFFAOYSA-N 464.797 5.793 30 20 JKED Cn1c([C@H](C#N)C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)nc2ccccc21 916844782 BTIWAUIAUXKDEY-HXUWFJFHSA-N 487.357 5.007 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 916898485 BTOFGVVJWPLNOH-LAUBAEHRSA-N 463.965 5.646 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 916905750 FENJWIPGLBGARX-NRFANRHFSA-N 493.405 5.338 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1[C@@H](C)c1ccccc1 916907086 HLIVMPKQQICVQI-HFZDXXHNSA-N 477.564 6.468 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928912 YLPIHQWNBOBVMH-OAHLLOKOSA-N 478.332 5.438 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)cc1Cl 916940723 WHPBPDMMSMCKOE-GXFFZTMASA-N 457.766 5.484 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044874 VLBQSBFWOOULAP-YPMHNXCESA-N 463.868 5.198 30 20 JKED CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CC2 917559788 CLYYKKKLJUFJMV-ATVHPVEESA-N 464.543 5.427 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(Br)cc1)[n+]1ccc2c(c1)CCCC2 917612735 DWGAHZXGAUNOSU-UHFFFAOYSA-O 491.434 5.810 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)NCc1ccccc1 917699255 AHJRJJFRBLCECI-HXUWFJFHSA-N 471.504 5.040 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(C[C@@H]3CCCO3)C2=O)cc1 917701102 RUGLVUREZKBHHE-BJKOFHAPSA-N 473.598 5.288 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 918287462 ALIUUYDHGZAPFR-ZCYQVOJMSA-N 462.553 5.168 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2ccccc2C#N)c1 920109533 QTMSJNCREXKROM-RUZDIDTESA-N 451.526 5.223 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)cc1 920110768 HIINGLRKJWVTAF-IBGZPJMESA-N 483.293 5.350 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2cc(O)ccc2C)C=C1 920483580 AGXPMCFTKSCEBZ-UHFFFAOYSA-O 491.633 5.806 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 920847784 IHVRGKLXZGNHRA-UHFFFAOYSA-N 467.485 5.300 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 921163974 IGEDAKQTVPBNHB-UHFFFAOYSA-N 481.590 6.146 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)n(Cc2ccco2)c1C 921286082 POELUGFNXRJJLU-UHFFFAOYSA-N 497.511 5.534 30 20 JKED C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC)CCc1cccs1 1507782191 WFYDMTFCFNEPJU-UHFFFAOYSA-N 499.438 5.023 30 20 JKED CCC(C)(C)N(CCC#N)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 1585575171 RFWRIYJJJZNGHY-UHFFFAOYSA-N 454.621 5.228 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC(F)(F)C4)cc3)CCC2)c1 1785803717 WRNCPQRCMNZGPV-YLJYHZDGSA-N 451.517 5.497 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)CCc5ccc(F)c(F)c5)cc4)CCC3)c2c1 1785989809 IUQXEOUUPGXQPP-UHFFFAOYSA-N 499.521 5.093 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3Cl)CCC2)cc1 1786364412 ISYPLLBOBLGMKH-UHFFFAOYSA-N 458.961 5.139 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CCC2)cc1 1787885968 YVKXVEQSLBWKBX-UHFFFAOYSA-N 474.948 5.579 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc(F)cc3F)CCC2)cc1 1788649878 DUYZVYBEDBIIMQ-ZHACJKMWSA-N 466.509 5.213 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncoc5c4)cc3)CCC2)c1 1789079330 OCQACGRXMMNUMF-SFHVURJKSA-N 464.525 5.516 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5cc[nH]c45)cc3)CCC2)c(C#N)c1 1789093665 DUEMNFOHYAQTGG-UHFFFAOYSA-N 478.552 5.039 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)[C@H](C)n3ccnc3C)CCC2)cc1)c1ccccc1 1789601505 VJBMUOFGPSQRBI-HFZDXXHNSA-N 468.601 5.084 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789993717 SBQXMGZGEMBWKU-XMMPIXPASA-N 498.583 5.144 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)COc4cccc(Cl)c4)CCC3)cc2)c1 1790073136 VKFGRYAJSZEXTN-UHFFFAOYSA-N 489.959 5.047 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccc(OC)cc5[nH]4)CCC3)cc2)c1 1790073262 XEOGEJJYPLKVFY-UHFFFAOYSA-N 494.551 5.118 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4Cl)CCC3)cc2)cc1 1790290267 PILHBWSNCNFKEV-UHFFFAOYSA-N 465.340 5.322 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1Cl 1790707313 GDMWFXXGRRLGSN-UHFFFAOYSA-N 473.960 5.476 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)c(F)cc3OC)CCC2)cc1 1791584576 RRJKBSQRLDCFHR-UHFFFAOYSA-N 487.369 5.148 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c(C)n1 1791770510 MDDXZLJLARDJDJ-UHFFFAOYSA-N 487.003 5.604 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nccn5c4)CCC3)cc2)c1 1792123565 JKZOBZZWPAJYBA-LJQANCHMSA-N 463.541 5.023 30 20 JKED COC(=O)CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126650 IVYUAYFLCMCVOY-FQEVSTJZSA-N 475.589 5.185 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)c[nH]1 1792168791 XKDLZVRNMKFFGJ-UHFFFAOYSA-N 456.546 5.044 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204473 ASVYBXYCBNCYGJ-QHCPKHFHSA-N 495.595 5.433 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)c[nH]5)CCC4)cc3)c[nH]c2c1 1792364575 XPBMJWKNPFZGSZ-ONNFQVAWSA-N 463.541 5.137 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792371915 MNJCDCCUPYLXPF-UHFFFAOYSA-N 487.616 5.072 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792388565 WKBUSEDVJIWHRF-QHAWAJNXSA-N 483.653 5.368 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Sc1ccccc1)c1ccccc1 1793438179 MBTVRLTVHTWQBL-TXKDOCKMSA-N 460.643 5.003 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2 1800228681 RMDPMWRWLBYBRM-SNJCGAMXSA-N 479.646 5.032 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cncc4s2)C3)c(Cl)c1 1800688584 VCBHRMUODHQKPX-QDMKHBRRSA-N 485.396 5.040 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc(C#N)c1)C2)c1ccc(Cl)cc1 1801550652 KLSAKNYFOLUVIB-SPGPFUFCSA-N 478.036 5.222 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C#N)c1Cl)C2)c1ccc(Cl)cc1 1801552413 XFOGCMQNKXJZCG-ADYITMSISA-N 484.427 5.557 30 20 JKED O=C(C#CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1803524245 VRHXSPUBGNXGLB-KOUNCHBCSA-N 482.502 5.163 30 20 JKED COc1c(C(=O)N2CCC3(CCCN(C(=O)[C@@H](S)C(C)C)C3)CC2)cc2ccccc2c1Cl 1806062610 BEXGKMCRAHNDAR-QHCPKHFHSA-N 489.081 5.301 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2C(C)(C)C)[C@@H]1c1cccnc1 1807777539 QVNURXWFUDHLTN-GMAHTHKFSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1807846716 XJGSDEYUNVOWPW-LEAFIULHSA-N 496.655 5.764 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cc(C)cnc3Cl)C2)CC1)c1ccccc1 1808806877 BFVBTFMWTZLSGP-HSZRJFAPSA-N 478.036 5.085 30 20 JKED CC(C)c1nn2ccccc2c1C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1 1810449808 UGRHXELTPQRGQU-QFIPXVFZSA-N 497.643 5.243 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1811305003 SGZRYAWMJKZKQF-JNMBUGSCSA-N 498.652 5.823 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(C(C)(C)C)oc3C)[C@H]2c2cccnc2)c1 1811928275 YUGFQYFDWOHNGP-NVQXNPDNSA-N 484.600 5.094 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2c2cccnc2)CC1 1811945003 TZMDYJGYFCZKJT-NTYBTQPHSA-N 472.633 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1812129598 UPSAGVYSWVCUDV-REHUZNOOSA-N 462.619 5.021 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1)C(F)(F)F 1812683507 PHSSSYBXXFPVNT-FDDCHVKYSA-N 493.485 5.419 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c1 1813869471 HLKJELGDDMBDEO-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)[nH]n2)C1 1814397265 GLTOLEHVKUBNGD-HXUWFJFHSA-N 491.419 5.776 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2ccc(Cl)cc2)n[nH]1 1814659179 AHRHQUZCDRGAKZ-KDOFPFPSSA-N 450.917 5.070 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)[nH]n1 1814830081 ORRZKAWIFOUWJB-FQEVSTJZSA-N 456.974 5.146 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)[nH]n1 1814830394 ZMMVDNKREXBHQT-OAQYLSRUSA-N 456.974 5.146 30 20 JKED Cc1ccsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1816347931 JFONPLUMCATTCY-LJQANCHMSA-N 456.688 5.137 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)s3)n[nH]2)c1 1816400312 JEPKGQVRFFKFSZ-KSSFIOAISA-N 467.982 5.371 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)sc2c1 1816628256 NXLGWUJAKMDWGN-JTSKRJEESA-N 498.612 5.575 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)[nH]n1 1819307212 QACFKRPYVQIJHN-SIKLNZKXSA-N 459.550 5.139 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1819308955 JATBFLIYEALKTM-MBSDFSHPSA-N 477.996 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCNc2ccc(C)cc2C)n[nH]1 1819463947 RTRBVCSZZPMIGB-QPPBQGQZSA-N 463.626 5.289 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)[nH]n1 1819552747 ZEVDWENFEVHRRR-QHCPKHFHSA-N 461.610 5.129 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820096664 ZFZSOQKETHBKMM-IIBYNOLFSA-N 473.602 5.691 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820438198 ZDLRZOQOXWZKLL-HSZRJFAPSA-N 456.546 5.311 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)[nH]n2)c1 1820486689 CIINMELNJHGQNY-FQEVSTJZSA-N 485.441 5.059 30 20 JKED Cc1cc(F)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1821064353 ZXDFAJLEFMALLD-HXOBKFHXSA-N 459.525 5.104 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1821145868 HHLCETOMKBWYHU-VWLOTQADSA-N 499.615 5.397 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821158748 IFTTYIVVRIMJAX-RUZDIDTESA-N 489.620 5.106 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)Sc3ccccc3)[nH]n2)c1 1821321264 DQRZGGCPLQLEIC-FDDCHVKYSA-N 473.602 5.077 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(Br)cc2C)[nH]n1 1821987338 PCXZRRPQSNHPCQ-ZDUSSCGKSA-N 487.370 5.059 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1)C(F)(F)F 1821994569 XFEJKEOVGREZHP-HNNXBMFYSA-N 494.823 5.506 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCOc3ccc(F)cc3)CC2)c1Cl 1823968968 DIEKFQAUZXXZMQ-XMMPIXPASA-N 497.998 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)CC1 1824444020 YQOWEFVXFHBMHJ-DEOSSOPVSA-N 477.020 5.246 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)C1 1824447467 UYCROQDQXMMOCM-XMMPIXPASA-N 476.583 5.614 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccco2)CC1)c1ccccc1 1825265615 YGASDLSMUMYSGL-HKZHYBCFSA-N 458.602 5.110 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1825467791 ONVOJXDHEAFNEC-QFIPXVFZSA-N 493.570 5.024 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826671938 ZSNUFQZANRCWDA-SFHVURJKSA-N 482.440 5.420 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCC([C@@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826676991 MDRHUSYUFGWVOH-INIZCTEOSA-N 468.413 5.030 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827353225 MMQAKORFONRMJN-CJFMBICVSA-N 463.597 5.333 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734453 FRLTUROMOYHCRF-JOCHJYFZSA-N 452.982 5.247 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c(C#N)c1 1828009696 HLQOOJKDTNOISW-GDLZYMKVSA-N 495.623 5.196 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(Br)cccc4c3)CC2)C1 1828656544 IAHMASYZMBCEPL-VWLOTQADSA-N 495.461 5.802 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1828888699 FUOSUDXQGNDRES-SXOMAYOGSA-N 474.645 5.160 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C(F)(F)F)CC1 1829066029 LXBOCFGKFPCFRE-QGZVFWFLSA-N 471.589 5.388 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3N=C(C)CC3=O)cc2)CC1 1829068603 HDKABNHDLWHZGT-VWLOTQADSA-N 492.664 5.025 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829570175 IAARFIXGTHGBON-YADARESESA-N 474.605 5.268 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)c1 1829679533 SQPAWXWUAKXCOD-YWLJMITFSA-N 491.676 5.407 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685962 UGRTYVCFVVQEID-CYFREDJKSA-N 496.076 5.626 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1830012781 CUISCDWJRHOWNE-MUUNZHRXSA-N 465.597 5.187 30 20 JKED Cc1nscc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601527 BIBWAFPMXLUTLG-NDEPHWFRSA-N 497.664 5.398 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cc(OC)cc2C)CC1 1830695158 KMHWCMOIGJNSEB-RPBOFIJWSA-N 452.639 5.314 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 1830730513 HUFAJXGEBLHDAB-YKSBVNFPSA-N 483.653 5.082 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cc(Br)ccc3c2)CC1 1830931681 WYZXBALOGZHIOM-MHECFPHRSA-N 498.465 5.443 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1831368872 AOGVZYCJGZGWBH-VGSWGCGISA-N 468.535 5.219 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1831445683 RYFGLAAQYYWODV-NLFFAJNJSA-N 488.619 5.021 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2nc(-c3ccccc3)sc2C)CC1 1831850182 FPYSQHRUBMWZIJ-RUZDIDTESA-N 477.674 5.084 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 1832633142 CMVBLQAXDFYMCT-DFBJGRDBSA-N 464.009 5.514 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1 1832633717 MYTWAZALQFYMSP-LYZGTLIUSA-N 495.627 5.251 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635676 OIUAVOOGSSXYSZ-CLOONOSVSA-N 494.035 5.523 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832699691 AGYITOPTMZUZHR-QHCPKHFHSA-N 480.571 5.230 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(F)ccc3F)CC2)c1 1832779256 CEZCPGQOFHMUTF-BCHFMIIMSA-N 479.571 5.068 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1832827133 PQJDIHQQGWJIAX-AREMUKBSSA-N 467.613 5.253 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)CC1 1833080117 UABSGXCDRBPFMZ-UHFFFAOYSA-N 497.577 5.022 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)CC1 1835489348 FSKNLISVYSTEMT-ZSQFBXSQSA-N 471.730 5.157 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 1838373975 WSVFISHOZFLCPD-FQEVSTJZSA-N 479.448 5.374 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)Cc1ccc([C@H](C)C(F)(F)F)cc1)C2 1844357345 BHRNKYMWOLFXIU-SFHVURJKSA-N 450.545 5.091 30 20 JKED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)CCCCCCCCCc2ccccc2)C1 1847034373 DRGUXUMOZQXJAL-MWAVMZGNSA-N 477.649 5.265 30 20 JKED CC(C)[Si](C#Cc1c(F)ccc2cccc(B3OC(C)(C)C(C)(C)O3)c12)(C(C)C)C(C)C 2332239729 DGKFALHOXXLEEF-UHFFFAOYSA-N 452.495 6.848 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)C(=O)Nc1ccccc1C#N 8759714 SQRJRGBQEBMQKK-CQSZACIVSA-N 478.936 5.169 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083388 MILRQJCBEVCWGX-UHFFFAOYSA-O 496.628 5.547 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(C)c(C)c1 11160045 KYUAZJJPWCDWOC-UHFFFAOYSA-O 458.434 6.511 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc12 21930255 PLSOAVUFUHVJJW-HNNXBMFYSA-N 490.610 5.060 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2c(C)cccc2C)cc1 22694017 AQLYBKFWHGHNNB-UHFFFAOYSA-O 451.681 6.915 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nnc1-c1ccco1 23202046 JQKSWIAXQNBXKC-UHFFFAOYSA-N 481.002 6.299 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1OC 45839728 VIJAYLXYJRGQML-HXUWFJFHSA-N 484.625 5.850 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccc(COCc3ccccc3)cc2)o1 108130697 OXHJZLFLHLTAEZ-UHFFFAOYSA-N 452.510 5.377 30 20 JKED CCOc1c(OC)cc(/C=C2/CCC/C(=C/c3cc(OC)c(OCC)c(OC)c3)C2=O)cc1OC 206876987 VLILXABKTJJRGX-FDYZEBBJSA-N 482.573 5.738 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)c1 254955006 GBLHERDPWXEITQ-HXUWFJFHSA-N 498.402 5.511 30 20 JKED CN(C)[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1Cl 255949740 FQULSRDOUHVIIR-QHCPKHFHSA-N 450.007 5.537 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc(C)c1OCc1cccnc1 302923861 AWUZIILULIEPGK-UHFFFAOYSA-N 454.555 5.449 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1SC 481973738 KYHBRWQSLALOQZ-LBPRGKRZSA-N 459.593 5.662 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 484265482 JGJLNODZVLHXMK-UHFFFAOYSA-N 483.930 6.200 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(C)cc(Br)cc1C 500071273 UWBIMHHJRLLABD-UHFFFAOYSA-N 482.172 5.116 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)s2)cc1 501870427 KJLIJEBZVOOKKG-UHFFFAOYSA-N 453.449 5.062 30 20 JKED CN1C/C(=C/c2cccc(Br)c2)c2nc3ccccc3c(C(=O)NCCCCC#N)c2C1 505085637 BYANPPAGLIDRPU-RGEXLXHISA-N 489.417 5.407 30 20 JKED C[C@@H](CC#N)N(C)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 505135046 ILIAOLDLYKERPE-IBGZPJMESA-N 482.005 5.110 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 506108356 UGBWRINCVFQEHE-FQEVSTJZSA-N 470.573 5.638 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H](c3ccco3)N3CCCCC3)c2)cc1 509899595 DOINGBFNDITSQZ-VWLOTQADSA-N 458.562 5.273 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl 510005444 MZFIZOFRJYHTEP-QHCPKHFHSA-N 476.939 5.124 30 20 JKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510024610 USJQFARTIFWHSB-UUOWRZLLSA-N 470.964 5.801 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc(Cl)cc3Cl)s2)cc1 510235957 LIMKPKYPCARHBU-UHFFFAOYSA-N 450.376 5.331 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510856249 DJAADQVWTVMCPO-RUZDIDTESA-N 457.530 6.045 30 20 JKED CCCCCOc1ccc([C@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OC 511261100 VQVSNFFWVUDEON-FQEVSTJZSA-N 465.594 5.450 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 511338273 QQYYIGRROIASNJ-MHZLTWQESA-N 471.557 5.622 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1nc2ccccc2[nH]1 512489290 OUSMBYIXRHXPIJ-INIZCTEOSA-N 450.267 5.747 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cc1 512489428 PYCMXQXOZQLSSZ-PXNSSMCTSA-N 483.553 6.085 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 513274357 SLDHNWKDGPFETN-GFCCVEGCSA-N 469.494 5.794 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2cccnc2)c1 514706053 ZVKMKUUZPRIQFI-XMMPIXPASA-N 482.005 5.094 30 20 JKED N#Cc1c(NC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)sc2c1-c1ccccc1CC2 515625949 IJYQZTCXKPCJSR-RXFWQSSRSA-N 489.597 5.054 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2sc3c(c2c1=O)CCC3 518127508 CHDFHCMYZSBXMG-HNNXBMFYSA-N 498.699 5.482 30 20 JKED COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1 518243339 VELKFYKJROHBKB-KRWDZBQOSA-N 481.599 5.143 30 20 JKED C=CCN(C(=O)Nc1ccccc1N1CCc2ccccc21)[C@H](C)c1cccc(-n2cnnn2)c1 518255802 RNWUUHALTSPUCC-HXUWFJFHSA-N 465.561 5.138 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 519414519 LRSDMXZXLLIMSG-IBGZPJMESA-N 492.674 5.240 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 519942489 DDMGJUYHNYJFCH-UHFFFAOYSA-N 482.544 5.182 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1C 519943561 WGIUTWVGQLJKGB-UHFFFAOYSA-N 499.625 5.348 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)o2)cc1 520079020 JOAMFGDJTUZBMR-UHFFFAOYSA-N 454.486 5.289 30 20 JKED CSc1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1-c1ccccc1 520429347 LKYGWHKLCWIAQQ-CQSZACIVSA-N 452.511 5.486 30 20 JKED CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 520453434 ZJRYTGGENFRVAS-NRFANRHFSA-N 464.569 5.572 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)c1 520557727 JYZKOTGEXZQGSX-OAQYLSRUSA-N 454.530 5.542 30 20 JKED CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OCC 520798124 NCHUTCFHNNJBEE-UHFFFAOYSA-N 474.526 5.309 30 20 JKED COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 520960880 YHCCMBCSGXMOFB-INIZCTEOSA-N 467.928 5.228 30 20 JKED Cn1ccnc1[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1F 523591380 JBVCXAFWNKGYIM-VWLOTQADSA-N 471.511 5.071 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 591257449 UATCEWYMARRPRU-UHFFFAOYSA-N 479.363 5.780 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1 604003614 OOKIQXLFDGCQCP-UHFFFAOYSA-N 486.553 5.123 30 20 JKED CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C2 604084982 QSHYJENBPWPBJS-HSZRJFAPSA-N 458.949 5.544 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2cccs2)cc1 604137926 CMLDDZMGJWAMCY-SANMLTNESA-N 496.592 5.604 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1 604439612 UYHLASZKKVTQFW-UHFFFAOYSA-N 485.584 5.748 30 20 JKED COc1cc([C@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OC1CCCC1 609057454 OPOUFNKLTYVKMK-SFHVURJKSA-N 460.530 5.551 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cc(-c4ccccc4)no3)cc2Cl)c1 609080681 RWVSQCXDMITPAQ-UHFFFAOYSA-N 458.905 5.767 30 20 JKED CCCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609403393 SLHQRQVZOVYPBO-UHFFFAOYSA-N 455.546 5.469 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1C 609429600 QNFBPZCWTBLCSF-UHFFFAOYSA-N 461.525 5.997 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1 613290270 AAVUNZNZMYEYSL-XMMPIXPASA-N 458.521 5.645 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2c(C)nn(C)c2n1 613347343 ZGETZNGDMNRWRD-HNNXBMFYSA-N 456.358 5.506 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1Cl 613427030 MVNVHVRGBOIBDK-OAHLLOKOSA-N 477.417 5.778 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 615432245 BSFMBSWQYBKNFG-QWRGUYRKSA-N 467.328 5.876 30 20 JKED O=C(Nc1cccc(CNC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1)c1cccc(F)c1 618506335 BOZYJKIQWVGPLV-HOTGVXAUSA-N 491.407 5.350 30 20 JKED COc1ccc(-c2ccc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c(F)c2)c(F)c1 622378948 BNCIGMZUHQGXSR-UHFFFAOYSA-N 453.329 5.597 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1[C@@H]1COc2ccccc2O1 639394442 MUVUFTJYGIPZGF-GOTSBHOMSA-N 478.618 5.349 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2cccc(CO)c2)C=C1 725764570 ZMOLKNSBSXDRRQ-UHFFFAOYSA-O 496.612 5.227 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2sccc2C)c1 726395146 BVMYDXAOXNCUIO-NRFANRHFSA-N 495.626 5.234 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 726401299 SSUSADKSMCOLPW-YJYMSZOUSA-N 481.952 5.004 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N([C@H]2CCCC[C@@H]2c2ccccc2)C1=O 726408515 FRGZXACBHIZRPF-HJNYFJLDSA-N 481.021 5.006 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OCCC)C(=O)N2Cc2ccccn2)c1 726409394 AQUGGSHTRSSRPA-RUZDIDTESA-N 498.608 5.012 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)S/C2=N/[C@@H](C)c2cccs2)no1 726418664 ACQMVPZILKIQPM-ZPGIOUQYSA-N 489.022 5.288 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726422253 UWKNHXLJJDGCMP-OJMJRNKJSA-N 499.580 5.489 30 20 JKED Cc1cc(-c2cc(C(=O)NCc3ccc(OCC#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1 727677584 ICOVMTSGBLBHSS-UHFFFAOYSA-N 459.575 5.190 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c1 728777199 JMJVXJIVVBXJFN-OAQYLSRUSA-N 452.555 5.097 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 728778977 WGYNRMZUJLEYPL-LJQANCHMSA-N 474.508 5.360 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)c1 730462626 OWZZDJNVYPJZOX-HSZRJFAPSA-N 497.617 5.004 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cocn2)C1=O 730714940 ZUIFOOPTXJPHIZ-NRFANRHFSA-N 498.992 5.114 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 730948215 CNKTVLVXFPRNQN-LBPRGKRZSA-N 493.445 5.091 30 20 JKED N#Cc1cccc(CNC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)c1 746543157 QAVYVSFMFAVVFJ-XSFVSMFZSA-N 479.561 5.128 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2cccc(OCCC(=O)O)c2)C(=O)c2ccccc2)c(Cl)c1 746684482 QWPSAQBKIWRGLV-JWGURIENSA-N 477.944 5.715 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2cscn2)cc1 747599227 HSVKMVKKAWPBSC-JOCHJYFZSA-N 492.626 5.069 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccccc1 747602105 IEVYBZMOCCRODX-GOSISDBHSA-N 491.425 5.610 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2F)ccc1Cl 750550750 BVFYLJQAPNRRIQ-UHFFFAOYSA-N 458.942 5.137 30 20 JKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c1 779186905 KIVNGQPDZXSDTG-HXUWFJFHSA-N 458.583 5.960 30 20 JKED CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc(Cl)cc2)cc1 798149121 SWSDCHWBVSKYEB-UHFFFAOYSA-O 469.030 5.898 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1C 800461318 PUIDOUYQAFEZLN-NRFANRHFSA-N 454.526 5.027 30 20 JKED COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1c(C)noc1C 863967376 YVHFQYPQURXFGO-PKNBQFBNSA-N 463.559 5.343 30 20 JKED COc1ccc(-c2nc(SCC(=O)N(C)C(c3ccccc3)c3ccccc3)nc(O)c2C#N)cc1 899396325 CTLNLNUGRKQNCK-UHFFFAOYSA-N 496.592 5.070 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 914623914 NVUDWWLPDJJOPN-SFHVURJKSA-N 488.975 5.564 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102061 MTHDTUOCSSSKRW-SFHVURJKSA-N 472.401 5.653 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)c1C 915180328 NOJHVEBKMXBDSZ-MUUNZHRXSA-N 492.579 5.503 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915200112 VGONGKJKDKQXAA-DNQXCXABSA-N 476.374 5.311 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 915719958 JARFQSPLRBIVTD-GDLZYMKVSA-N 473.576 5.619 30 20 JKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 916128168 SQLGAYBVYWQYSN-VKAVYKQESA-N 480.568 5.078 30 20 JKED CCCOc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)ccc1OC 916320919 OIMCRPREJGTHLR-UHFFFAOYSA-N 454.596 5.123 30 20 JKED COC(=O)c1ccc(COc2ccccc2C=Nn2c(S)nnc2SCc2ccccc2)cc1 916368624 KJXSPVFFXJHNQC-UHFFFAOYSA-N 490.610 5.107 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc2ccccc12 916919355 WZOZLMGFIDGIDR-IBGZPJMESA-N 478.335 6.082 30 20 JKED CCOc1ccccc1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916977485 SPEVBXQZHDLVGU-SJLPKXTDSA-N 465.962 5.092 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(-c2ccccc2C)c1=S 917458176 URPMAZULIDNUIA-UHFFFAOYSA-N 454.603 5.515 30 20 JKED CCCCOc1ccc(C=Nn2c(S)nnc2-c2cccc(Br)c2)cc1OC 917593413 GAOCOXYNNGUMPV-UHFFFAOYSA-N 461.385 5.066 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917700951 MRVPONYCGCSMMH-KSFYIVLOSA-N 463.628 5.133 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)cc1F 917704443 VJEWRHGLXGNZSD-QHCPKHFHSA-N 490.535 5.305 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 917712078 CSQRCFAUGVKPBT-NTKDMRAZSA-N 472.614 5.927 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1 919713442 BOTHWVSEYPAWBV-LJQANCHMSA-N 493.386 5.787 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)cc1 920143430 ZRMSRJGMXDKADR-UNMCSNQZSA-N 462.534 5.064 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 920868190 JHKFNUKGMFFPOO-KBXCAEBGSA-N 480.417 5.236 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nnc1-c1ccccc1F 921163169 HPBASBHSUWSCLN-UHFFFAOYSA-N 452.555 5.442 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1 1785799428 AZMIBTIRRZLJAO-FXAWDEMLSA-N 491.579 5.025 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC45CCN(C(=O)OC(C)(C)C)CC5)CCC3)cc2)C1 1785810088 ARKNEVOIZAXSHU-QHCPKHFHSA-N 493.648 5.124 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3C(F)(F)F)CCC2)cc1 1786369202 USIDCQUMKIPODM-UHFFFAOYSA-N 478.486 5.575 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4scnc4C4CC4)cc3)CCC2)cc1 1787182847 OJMRXYJRHOCDFB-UHFFFAOYSA-N 470.598 5.273 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)/C=C/C(=O)c5cccs5)cc4)CCC3)[nH]c2c1 1788649799 ZVHNJULUIVDKJB-VAWYXSNFSA-N 499.592 5.425 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ncccc45)cc3)CCC2)cc1 1788904770 NVYWNKLUTLQMIQ-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)CCC2)cc1 1789457824 AYVRCCJQKYCVOK-OAQYLSRUSA-N 496.533 5.869 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(OC)c34)CCC2)cc1 1789457928 GQRJRHWVGWKDAP-OAQYLSRUSA-N 457.574 5.693 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)cc3)CCC2)cc1 1789528150 HPDYSRYKAGZIFK-KWXIBIRDSA-N 479.605 5.123 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)[nH]3)cc2)CCC1 1789673298 ZRKGOCOGUQUIAM-PKNBQFBNSA-N 487.503 5.282 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cc6[nH]ccc6s5)CCC4)cc3)c2c1 1790834981 AUBJITBESCTULC-UHFFFAOYSA-N 480.553 5.039 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccc(F)cn34)cc2)CCC1 1790882081 LTGLAYDJVOBSRR-QFIPXVFZSA-N 460.553 5.298 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nscc45)cc3)CCC2)cc1 1790943716 QNXZEIPCSBBFJP-UHFFFAOYSA-N 466.566 5.424 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC4(CC4)CN3C(=O)OC(C)(C)C)CCC2)cc1 1791243734 CRNAGMPXJKHRJA-KNQAVFIVSA-N 481.637 5.122 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4F)cc3)CCC2)c1 1791368495 GTVFTPUWHHZDQT-LJQANCHMSA-N 471.532 5.279 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5sc(N)nc5c4)CCC3)cc2)c1 1792122358 KRFLNOPCNMUFAQ-KRWDZBQOSA-N 495.608 5.567 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4[nH]cc5c4CCC5)CCC3)cc2)c1 1792125369 WWJRULUGOCXKBL-SFHVURJKSA-N 452.558 5.192 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CC3(F)F)cc2)CCC1)NC(=O)OC(C)(C)C 1792250507 APHPADZBIIZCFD-YADARESESA-N 491.579 5.025 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1)C2 1792576088 YNBQIWOQZQFNLY-QBMQIYCRSA-N 489.701 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1802856065 RQJCZPNUALJJSF-HYBUGGRVSA-N 472.004 5.115 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1)[C@@H]1CC=CCC1 1803042112 BUFLTYSYWWVZEX-JJZPZGAKSA-N 489.619 5.157 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCCc4ccccc4F)C3)CC2)c1 1805497102 QOMBYDFIFSNGNH-JOCHJYFZSA-N 475.608 5.320 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ncc(OC(F)F)cc3Cl)C2)CC1 1807638018 RMVVDSURCIJYNC-UHFFFAOYSA-N 483.987 5.174 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808490869 ZRWYXYIIHTZRLV-FOVJLYNBSA-N 498.048 5.269 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1808890234 STNZCURDOROJLM-ATIYNZHBSA-N 493.051 5.533 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC2(CCCN(C(=O)C3(C(F)(F)F)CCC3)C2)CC1 1809605079 SBLDCAMUFBUUKN-UHFFFAOYSA-N 494.451 5.422 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(s2)CCCC3)[C@H]1c1cccnc1 1809769576 PURQFVXRNYMRIP-RCZVLFRGSA-N 463.647 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810171864 HRQFKFPGGBBUQQ-VXPBHUBDSA-N 469.676 5.098 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccccc3)CC2)[C@@H]1c1cccnc1)c1ccccc1 1810441536 RUUAVLCCHQQFSQ-PIZZNKLWSA-N 491.635 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810491588 DYLQMJCSNKTRLP-ATIYNZHBSA-N 498.067 5.592 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1810502658 KWRQJWOSUSRKQY-OFVILXPXSA-N 481.612 5.320 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccc4c3OC(C)(C)C4)C2)CC1 1810721329 VWAFERWVGWLNCX-QFIPXVFZSA-N 450.623 5.013 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811793511 RYIZPJZIVASVHO-FDDCHVKYSA-N 497.357 5.033 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811832512 UBUWZXKVIVEEDY-RDPSFJRHSA-N 493.394 5.202 30 20 JKED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2c2cccnc2)CCC1 1814058884 UEJOPRZYCXQMJH-YWZLYKJASA-N 491.806 5.055 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 1814361796 JYFRGSRSJVOGGW-UGKGYDQZSA-N 459.550 5.139 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)[nH]n1 1814443344 UIBKOOMXXBDJPA-FQEVSTJZSA-N 465.623 5.626 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)c(F)c2)[nH]n1 1814824155 MXACHJZJTHXWGF-NRFANRHFSA-N 458.965 5.205 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[nH]n1 1817124663 SGPQJZGTQBSZHY-OAQYLSRUSA-N 468.001 5.261 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(CC)nc3ccc(Cl)cn23)n[nH]1 1817958007 NPULMPYQMBJMGH-NRFANRHFSA-N 495.027 5.348 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3Cl)n[nH]2)cc1 1818745107 CSNPFBAYMZTPDN-QHCPKHFHSA-N 486.963 5.230 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)[nH]n1 1819307241 QNKSGKUVBFUTBO-CTNGQTDRSA-N 462.550 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)[nH]n1 1819307730 YHUJVRWVMGGWKK-NTKDMRAZSA-N 473.577 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)[nH]n1 1819308986 JQXQJAJWNSSBFZ-DNVCBOLYSA-N 466.973 5.014 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSC2CCCC2)[nH]n1)c1ccccc1 1819516894 OTJQOFMGXOYCJF-VWNXMTODSA-N 478.662 5.275 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)[nH]n1)c1ccccc1 1819517175 VENVYTUZJAJIHK-GHTZIAJQSA-N 493.970 5.100 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820100602 IZUIKCZRUDKSFJ-JXFKEZNVSA-N 461.591 5.395 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)c1 1820587994 KZBZQNPMZNHHOV-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)Oc2ccc3ccccc3c2)n[nH]1 1820715619 CUDNGEOHKGTXPO-XMMPIXPASA-N 472.589 5.216 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277878 MBSSRIYZNOHKPU-UWJYYQICSA-N 451.958 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(O)c3cc2OC)n[nH]1 1821500034 UGZZQZIHNNVOLV-WMZHIEFXSA-N 488.588 5.351 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1821920542 LWOZPCMYMBAXGT-DVECYGJZSA-N 457.578 5.298 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)c(F)c2)[nH]n1 1821923983 ULDWASRSSHHIJQ-RDTXWAMCSA-N 482.478 5.008 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1)C(F)(F)F 1821991698 ATHILUFZWXFVLW-CQSZACIVSA-N 483.903 5.097 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[nH]n1 1822392915 DVSLFMQSUPBMLB-INIZCTEOSA-N 484.881 5.330 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc(O)cc1 1822469495 MMFKZXWSYKCAKI-XZWSAFPPSA-N 488.632 5.131 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216142 CKIIEBQINXTSMN-NBGIEHNGSA-N 469.589 5.202 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216351 SIIFVYFMKQKUFE-MWTRTKDXSA-N 491.979 5.318 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3OC(F)F)n[nH]2)c1Cl 1823264755 XQPTZWOXRISUTC-GOSISDBHSA-N 499.905 5.156 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cccc(Br)c4n3)CC2)C1 1823701364 IMNYARUDVUZCSR-QHCPKHFHSA-N 496.449 5.197 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCc3ccoc3C2)CC1 1824291482 VQMSKBHTEAUXSV-DQEYMECFSA-N 482.741 5.055 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)CC2)c1 1824329175 RSPWDERJMXOHKE-DVECYGJZSA-N 471.592 5.372 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1824499426 GNKOBJKQLBHTDX-HSZRJFAPSA-N 486.056 5.346 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)c1 1824539200 LZOOTNPUYKMVSK-IZZNHLLZSA-N 479.690 5.245 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1825164353 JRUWBGPSONTMMO-FNZWTVRRSA-N 477.674 5.550 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3scnc3C3CC3)CC2)c1Cl 1825645309 ILOTXMXWGBILGN-FQEVSTJZSA-N 483.037 5.093 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)CC1 1826639592 OJZMOHUDNXFCDB-SANMLTNESA-N 482.665 5.025 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1828221819 NMEBSXSOMHRHPX-XMMPIXPASA-N 498.465 5.357 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828245600 OWVYJKGNYDPEJI-AZGAKELHSA-N 462.634 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1828830117 LJWDEFJWKFHHSO-JWQCQUIFSA-N 482.665 5.025 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cnc(C)s2)CC1)c1ccccc1 1829035359 PWHSBTKNBQZLGZ-HHJSHYQQSA-N 489.685 5.282 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829943711 YDJGEPGFZUVMMY-DFBJGRDBSA-N 497.561 5.880 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)c1 1829956831 UMHFZKJEQMQRDN-SANMLTNESA-N 487.003 5.307 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1829967515 BCTADJHWSSINBY-FQRUVTKNSA-N 461.581 5.308 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1830399091 WYEOQCATLAUHEY-XZOQPEGZSA-N 491.717 5.292 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)c1 1830678929 CYLKHEONCHWCBK-KMRXNPHXSA-N 495.627 5.251 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)c1 1830765602 ULBVZZUUCFIJAL-CLCZQPDDSA-N 491.582 5.182 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1830769460 PWWGOVZTDDAHRB-SANMLTNESA-N 489.019 5.549 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(C)cc3F)CC2)c1 1830771358 VKEPTXBXIOSHHY-RUZDIDTESA-N 465.544 5.000 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3nc4ccccc4o3)CC2)c1 1830851734 DSSDLSZCOUJBFQ-NTKDMRAZSA-N 470.573 5.002 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307263 TUVRFDLTCTWGCJ-WZONZLPQSA-N 496.479 5.347 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1831375221 QMQABKJSWYWNTI-QPPBQGQZSA-N 473.617 5.669 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1831449287 XQIPGORZCPTGHC-RQWLHQTBSA-N 495.408 5.293 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 1831854761 NNFMCQLFROQMRU-HSZRJFAPSA-N 474.567 5.160 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CC1 1836697300 FJPNAXPCNLRILO-UHFFFAOYSA-N 497.438 5.513 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC=CCC2)C1 1841295348 MJKZVHBGVDFSFS-PKTZIBPZSA-N 489.701 5.190 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3cccc(Br)c3)cc1)C2 1845981588 GIWJKMRHPHXTEE-GOSISDBHSA-N 467.407 5.145 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2F)nc2scc(-c3cccs3)c2c1=O 9964565 QQQRNLFXWHRPEN-UHFFFAOYSA-N 485.631 5.262 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccc(Cl)cc1 10658758 ZDDNJPBDABHJIS-ZDUSSCGKSA-N 457.028 5.842 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nc2cc(Cl)ccc2c1=O 11501091 QJKCHCLFUDUSTO-UHFFFAOYSA-N 467.950 5.281 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1[C@@H]1COc2ccccc2O1 16726505 WZADGJADTRXZBH-QRWLVFNGSA-N 470.982 5.058 30 20 JKED CCOc1ccc(-n2c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc2-c2cccc(Cl)c2)cc1 21124607 KLYRAKIWLYPORZ-XMMPIXPASA-N 484.025 5.133 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 22142113 NZBARPPBTPCNCD-UHFFFAOYSA-N 475.595 5.477 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)c(C)c1 22729505 LIEJXGQAEDEORT-UHFFFAOYSA-O 451.562 5.799 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731261 RWQPHOJZDWAVHM-UHFFFAOYSA-O 495.668 6.748 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1C#N 28491483 USAZAYRFUODPGX-INIZCTEOSA-N 473.554 5.529 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1 29648351 SHNGRPPPVPTSBP-UHFFFAOYSA-N 456.477 5.708 30 20 JKED COCc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)sc2cccc(F)c12 71801401 IOHDLFSCUZFYJZ-UHFFFAOYSA-N 470.576 5.455 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1 107879384 GJCCISUBTZXAAP-NRFANRHFSA-N 490.972 5.787 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1 303079753 UGBVBGKAQPOIAK-UHFFFAOYSA-N 485.996 6.730 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1C#N 479751381 RUTNSERUCLHZED-UHFFFAOYSA-N 461.631 5.486 30 20 JKED COc1ccc(CSc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)cc1 480461981 RFZFEPRNOJEDMV-OAHLLOKOSA-N 488.635 5.406 30 20 JKED COc1cc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc(Br)c1OC 483670799 RTNATWBHMQXPJL-UHFFFAOYSA-N 467.319 5.060 30 20 JKED COCCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1ccccc1 487250532 KVOJXKMMMXFFMW-YADARESESA-N 475.976 5.170 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(OCc3ccncc3)cc2)cc1 488011978 WDOBQOKELRMZSG-UHFFFAOYSA-N 451.501 5.514 30 20 JKED N#CCCN(Cc1ccco1)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 490650044 OBFLRXWCPJWCDL-UHFFFAOYSA-N 462.859 5.182 30 20 JKED C[C@@H]1CCc2nc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)sc2C1 490796128 QPNDHQMXKVVMHG-OAHLLOKOSA-N 462.600 5.123 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 500617238 NIFUWPSSSAZPOV-UHFFFAOYSA-N 462.346 5.091 30 20 JKED CC(C)CC(=O)N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 502122473 LAUATSVDPSGQHH-JOCHJYFZSA-N 452.986 5.154 30 20 JKED CC(C)n1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1Cl 502596192 PIMDYJJPOQXXIT-CQSZACIVSA-N 466.438 5.656 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)C(C)C)cc1 502851311 JRNUWYOFQCLBMZ-DEOSSOPVSA-N 480.406 5.273 30 20 JKED CC(C)c1nc(C(=O)Nc2cc(C#N)ccc2OC(F)F)nn1-c1c(Cl)cccc1Cl 504911866 MVIWTCDDVXEVFO-UHFFFAOYSA-N 466.275 5.423 30 20 JKED CSc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)N2CCc3sccc3C2)cc1 505173868 WDXDSDLULJKTNQ-DEOSSOPVSA-N 476.671 5.283 30 20 JKED CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N(CCC#N)Cc3ccccn3)ccc2C)cc1 505219114 KBJARTJNAFJZRM-UHFFFAOYSA-N 490.629 5.090 30 20 JKED C=CCN(C(=O)CSc1nnc(NC2CC2)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 505382518 OHOVOWJBDHTYSU-UHFFFAOYSA-N 498.486 5.854 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 508129981 DEZKNLVGGKPDPC-UHFFFAOYSA-N 469.545 5.339 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1Cl 510022668 GCUWZLJLKFORLR-BVAGGSTKSA-N 452.945 6.302 30 20 JKED Cc1ccccc1-n1c(SCC(=O)NCc2cccc(C#N)c2)nnc1-c1c[nH]c2ccccc12 510247230 WHVGGAKRFDPUPO-UHFFFAOYSA-N 478.581 5.004 30 20 JKED Cc1cccn2cc(COc3ccccc3C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)nc12 513175903 MGIOKPNQDYZOCH-IBGZPJMESA-N 450.420 5.126 30 20 JKED C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 513211675 ZSWDNBPBWUTWDE-AWEZNQCLSA-N 470.407 5.717 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 513681445 CDGMVHXTTVSEHD-UHFFFAOYSA-N 499.617 6.346 30 20 JKED C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1[C@H]1COc2ccccc2O1 514670135 GFVTXRONRGRGLC-HXUWFJFHSA-N 450.495 5.063 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)cc1 518235002 LCJFHOKXNBBWGR-UHFFFAOYSA-N 483.528 5.288 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)cc2)c1 518750674 ZCHVKNHOHRJYLA-UHFFFAOYSA-N 483.474 5.473 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)n2)cc1 519248866 KTQGZLYRTVSVDJ-JOCHJYFZSA-N 464.506 5.063 30 20 JKED C=CCN(C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 521808042 ACYDJCKJCWLVIM-LJQANCHMSA-N 482.548 5.087 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1C 524497851 CLIXNBZWCTVBJE-UHFFFAOYSA-N 487.560 5.205 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 524675444 FEDOQGQSKZRTNK-OXJNMPFZSA-N 477.552 5.799 30 20 JKED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc2cc(Cl)ccc2s1 557494410 ISYZDOSKOWPSQN-IBGZPJMESA-N 466.971 5.414 30 20 JKED CC(=O)N(c1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cs1)c1cccc(C)c1C 557652105 GYHASBYWXWPJNF-UHFFFAOYSA-N 473.646 5.024 30 20 JKED C=CCn1c(SC[C@@H](O)COc2ccc(C(C)=O)cc2)nc2sc(-c3ccccc3)cc2c1=O 588380567 LAFQPZCQNOQGGE-FQEVSTJZSA-N 492.622 5.046 30 20 JKED CCOC(=O)c1sc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c(C#N)c1C 591712742 PVSFOXLWTMTLTA-UHFFFAOYSA-N 479.505 5.808 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)s2)cc1 602092788 WGUUBYRAPYNEIU-UHFFFAOYSA-N 457.886 5.079 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 603671851 AXTLOZQBIPOMBM-UHFFFAOYSA-N 453.514 5.022 30 20 JKED CSc1nc(O)c(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)cc1C#N 603674226 TZODWFJQZBYKLL-JOCHJYFZSA-N 492.670 5.095 30 20 JKED Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Br)c1 604003687 SQHNVJAPPPCYMN-SFHVURJKSA-N 479.374 5.809 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604225378 AKAGBPHZVIDWEG-UHFFFAOYSA-N 469.328 5.040 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)n1CC(F)(F)F 604248991 SRJLMHCBCWHZLV-UHFFFAOYSA-N 486.441 5.857 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1nc(C(=O)OCC)cs1 604428330 RZSOVYJMVASRMA-UHFFFAOYSA-N 481.521 5.603 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c([N+](=O)[O-])c2)cc1 609043949 JEHFACLLBCLNFS-UHFFFAOYSA-N 495.539 5.702 30 20 JKED N#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)c(F)c1 609253429 KNSLNGZCSNCXRF-UHFFFAOYSA-N 456.399 5.290 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCN(C(=O)CC2CCCC2)CC1 609355723 UFGQXXMJXPOPEZ-UHFFFAOYSA-N 474.605 5.092 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 609369680 HRSAHNAMGRQSLD-QGZVFWFLSA-N 490.610 5.163 30 20 JKED CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642441368 YVQJYCNIWCYNMP-GDNZZTSVSA-N 465.360 5.802 30 20 JKED O=C(Nc1cccc(Cl)c1SC(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 726078901 MOZQWOWUQVGKFY-OCAPTIKFSA-N 456.786 6.249 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(C2CC2)C1=O 726406971 NOFGGBHHBXNINZ-OAQYLSRUSA-N 482.993 5.123 30 20 JKED C#Cc1cccc(NC(=S)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)c1 726438305 UQBXPTTWZLYXBN-UHFFFAOYSA-N 486.416 5.040 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=S)Nc1ccc(C#N)c(Cl)c1 726445255 UGCNHICJGQDSEX-UHFFFAOYSA-N 457.990 5.893 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@H](C)c2cccs2)c1 726577638 LGMXWHQIXIFIEI-GOSISDBHSA-O 466.652 5.312 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC)c(Cl)c1 726888636 AWESQKMJTKHMTF-NRFANRHFSA-N 490.025 5.044 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c1 727650064 GTTXLPWWJBCPLF-RUZDIDTESA-N 498.608 5.366 30 20 JKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 728392234 FVULDYGLDMFLLJ-JOCHJYFZSA-N 480.584 5.217 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(CCCCC#N)C2=O)c1 728778677 UJKKYQRMTBHVMM-OAQYLSRUSA-N 485.009 5.311 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)c1OC 729430002 PUIMCCYCBRTQJH-HNNXBMFYSA-N 450.545 5.113 30 20 JKED CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCN(C(=O)c2ccccc2)CC1 729554074 ZJXXSTLUCNHGSI-SANMLTNESA-N 452.558 5.111 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 729630662 CYKARQLBIJZMCP-VWLOTQADSA-N 480.593 5.704 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 729631016 DCOALYBVEBUOGR-IZZNHLLZSA-N 494.620 5.192 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3ncccc3C)C2=O)c1 729631860 VEWZLWXFRSQAEH-QHCPKHFHSA-N 488.613 5.176 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1 730714119 CMKGEJVPRQSTPQ-NRFANRHFSA-N 482.993 5.414 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(Cl)cc2)o1 730717166 GHTFNJYGOLFQJU-LXGCGDOSSA-N 495.992 5.007 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(CCOCC2CC2)C1=O)Nc1ccccc1F 730942010 AHEFQOLAYLDCPB-DEOSSOPVSA-N 491.588 5.366 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1C1CCCCC1 731064911 SWJKQQCLNOJFEC-SFHVURJKSA-N 453.608 5.800 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)c2)cc1 731106650 ZYTNKXITMZZRSD-MHZLTWQESA-N 473.548 5.448 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1C 731310750 OYKPVQWAZDSBFB-QFIPXVFZSA-N 495.004 5.218 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C\c2csc(N(C(C)=O)c3cccc(Cl)c3)n2)S1 733779025 CAHUCHBWZBQMMX-XSFVSMFZSA-N 491.082 6.402 30 20 JKED Cc1csc([C@@](O)(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(F)(F)F)n1 746837723 XYCNIWISDJPMJR-NRFANRHFSA-N 461.465 5.203 30 20 JKED COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 747168443 LPMWADLLMRHPCV-PKNBQFBNSA-N 499.485 5.945 30 20 JKED CCOc1c(OC)cc(/C=C(/C(=O)Nc2cccc(OC)c2)C(=O)c2ccccc2)cc1OC 750900045 JIPSVFFREILUJJ-HYARGMPZSA-N 461.514 5.016 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N[C@@H](C#N)c2ccc(F)cc2)c1=S 818941450 VXMBXHXTAUOBBL-FQEVSTJZSA-N 471.989 5.445 30 20 JKED COc1cc(C=NOCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(Cl)c1OC 823643407 JVNREHVFSZKKRG-UHFFFAOYSA-N 451.228 5.019 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C(C)C)CC1 837286262 UZYNNUUKOFKBRS-HSZRJFAPSA-N 478.662 5.137 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N([C@H](C)c3cccnc3)C2=O)cc1 837485607 OSKPJKZKTNKLLF-ZHRRBRCNSA-N 496.995 5.904 30 20 JKED N#Cc1cc(Br)ccc1N1CC(c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)C1 904509437 UMEIRRLHZOZSDW-UHFFFAOYSA-N 492.308 5.301 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CCCC2)c1 913118452 SXXYQCDZMGNSSD-NRFANRHFSA-N 485.009 5.201 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2sccc2C)c1 914543135 LSUKWYGRKUKHJY-HXUWFJFHSA-N 483.590 5.365 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)cc1 914772782 OGLHNYRLEICCBF-QHCPKHFHSA-N 477.561 5.133 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)cc1 915101011 AGYGIKUPKSWAPI-FPOVZHCZSA-N 463.990 5.501 30 20 JKED Cc1cc(NC(=O)[C@H](C)SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)no1 915102655 BZPSUZVFZGVKHR-SMDDNHRTSA-N 495.413 5.350 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 915175283 USJAPYPTKLCJRK-UHFFFAOYSA-N 461.884 5.344 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916207295 YQPAWHSKXNJKBN-FZKQIMNGSA-N 496.391 5.272 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CC2)C1=O)Nc1ccccc1Br 916217084 DUQLFXKATCDXHZ-NRFANRHFSA-N 494.414 5.725 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccco3)C2=O)c(OC)c1 916217432 NCNMFIRWBAPWML-JOCHJYFZSA-N 493.585 5.074 30 20 JKED N#C[C@@H](C(=O)CCSc1ccccc1Br)c1nc(O)c2c3c(sc2n1)CCCC3 916847183 MZVLVAFGVSRPBI-ZDUSSCGKSA-N 488.432 5.397 30 20 JKED N#C[C@H](C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996203 IBWBSJPYNULUES-OAHLLOKOSA-N 472.313 5.251 30 20 JKED CCCCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917560010 PQMUXXFSEMTIJC-GDNBJRDFSA-N 469.006 6.946 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\SC(=Nc3ccccc3C)NC2=O)cs1 917564075 WGERFUQRRRYKMG-ODLFYWEKSA-N 452.536 5.167 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)c1 917665074 STGNFFIDFUIHLP-SLSDLSHTSA-N 490.673 5.199 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(OC)c2)c1 917666153 BTTQPCUIFREYTD-DEOSSOPVSA-N 489.597 5.002 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 917672217 PCUYLTSICZBTLT-FQEVSTJZSA-N 477.989 5.093 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccc(F)cc2)n1 917678140 QEWSUFUKHLYGPN-OAQYLSRUSA-N 497.983 5.046 30 20 JKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C(F)(F)F)cc1 918106056 WXLVBFCTACIYDU-QHCPKHFHSA-N 492.526 5.926 30 20 JKED C=CCN(Cc1ccccc1F)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1=S 918182510 SCDPJWSSYHKXPF-FQEVSTJZSA-N 477.609 5.526 30 20 JKED N#Cc1cccc(OCC(=O)N(c2ccc(Cl)c(Cl)c2)c2nc3ccccc3s2)c1 918549066 PJGZPEJORPYKTR-UHFFFAOYSA-N 454.338 6.218 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 919514284 RMRTXEJXUHUQDG-DEOSSOPVSA-N 488.540 5.040 30 20 JKED COc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccccc2SCC#N)ccc1OC 919853698 CVASEGQXPSUFMW-UHFFFAOYSA-N 462.531 5.216 30 20 JKED N#CCOc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 919982137 JYHFARPUTXBYSD-FQEVSTJZSA-N 464.352 5.939 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCc3ccc(Br)cc3)n2)cc1 920142361 OSMPGTJXQYPFAE-HXUWFJFHSA-N 464.388 6.034 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@@](C)(C#N)C(C)C)ccc1Cl 920970499 KMFXBZRCGKSNEC-QFIPXVFZSA-N 480.417 5.043 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4)cc3)CCC2)c1 1785760092 GCSMEKWZLBJODN-KRWDZBQOSA-N 458.949 5.424 30 20 JKED CN1CCC(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)CC1 1785913960 JLWPELSUAPMLTN-UHFFFAOYSA-N 498.549 5.057 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786574347 BPDJJFGAEHBKNR-XMMPIXPASA-N 495.664 5.679 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1786678266 OERSRNIJNIPLDK-UHFFFAOYSA-N 457.599 5.416 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786697492 ZANFMSSZYFMRKM-UHFFFAOYSA-N 499.007 5.143 30 20 JKED Cc1cc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)ccn1 1786741867 PCPQQGNCJRZZFK-FQEVSTJZSA-N 466.585 5.398 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3Cl)cc2)CCC1 1787130397 WFUBZQWODUWSQQ-UHFFFAOYSA-N 464.944 5.251 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc2)CCC1 1787869131 SKHTYZYLUYYUMW-AWNIVKPZSA-N 457.452 5.036 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c1 1788649010 ZEPNDEKZRQMTBX-JXOMPUQVSA-N 483.593 5.562 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1)C(F)(F)F 1789116515 XWMPTLHUYZLAGE-VAWYXSNFSA-N 454.448 5.699 30 20 JKED Cc1nc2ccncc2cc1C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1789246517 DRABCNUKYDSHDL-UHFFFAOYSA-N 489.579 5.190 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3=C4c5ccccc5C(=O)N4CC3)cc2)CCC1 1790008083 XQHABIXPNLCFFT-JOCHJYFZSA-N 481.596 5.160 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4nc3Cl)cc2)CCC1 1790041956 KQKKGJPBJMLDSF-UHFFFAOYSA-N 455.892 5.490 30 20 JKED C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1)Oc1ccccc1 1791145860 MPUIBKICHWAQIM-OAQYLSRUSA-N 467.569 5.358 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CSc3ccncc3)CCC2)cc1)c1ccc(O)cc1 1791646426 OETJYBFYZHJDJM-JOCHJYFZSA-N 499.636 5.211 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C\C=C\C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206094 IVMCTPCLZAMFKO-SQYLCVMQSA-N 467.610 5.112 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1792220503 NHMSPMFZMRGBFK-YADHBBJMSA-N 469.626 5.192 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc[nH]c2cc1Cl)c1ccccc1 1797611561 DEZZPPZPJPIIFL-BJESRGMDSA-N 474.004 5.270 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccoc2c1-c1ccccc1 1799113851 MGRHROGCRQIGGA-WKCHPHFGSA-N 459.590 5.672 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1803087842 FKYPHEBDJQGVDI-AZGAKELHSA-N 477.674 5.265 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1803090696 IGXPKINIOKATKN-NBGIEHNGSA-N 477.008 5.304 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)cc2C(F)(F)F)C3)c1 1803682809 OWMCWEYFKRUKGS-PPRPKMEESA-N 489.925 5.551 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1804176800 VOWUNQVUOPRGQU-VGSWGCGISA-N 486.062 5.189 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)C1 1804862335 RUHGDZJLOYVYMC-UHFFFAOYSA-N 452.426 5.226 30 20 JKED Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4Cl)CC3)C2)cc1F 1805953314 FLCGDSYHFVJKQW-UHFFFAOYSA-N 481.999 5.137 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)C1 1806014332 DSEIYDHQEZTOQM-UHFFFAOYSA-N 478.608 5.320 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 1806067054 FTTICKWXUALWCR-GOSISDBHSA-N 476.992 5.158 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1806620174 FHIDFWSJWNEWKY-NAKRPHOHSA-N 459.634 5.136 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)C1 1806678607 HRYFLTHKDLFKLM-UHFFFAOYSA-N 466.622 5.257 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@H]1c1cccnc1 1810171112 DAJJSMGXMGKCCJ-CMWIJQQISA-N 463.666 5.462 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(CC(C)C)cc2)[C@@H]1c1cccnc1 1810174659 OMMGXHZHEBNHCQ-ZONZVBGPSA-N 459.634 5.368 30 20 JKED Cc1ccc(S/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)cc1 1810247522 UYVJMBLJOUNRDO-VNKNIMTOSA-N 496.636 5.082 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810267894 QNWBFZQZPAZTTI-NOZRDPDXSA-N 467.730 5.131 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CC[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2c2cccnc2)cc1 1811938030 XBHSJWZPWHWGDO-MXQUXIMNSA-N 496.636 5.196 30 20 JKED C#CC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1812534908 RAERRDYEHVAERZ-GGXMVOPNSA-N 459.634 5.084 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@@H]1c1cccnc1 1813228532 XDYMOAAYSSQOED-CJFMBICVSA-N 498.454 5.320 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2F)[C@@H]1c1cccnc1)c1ccccc1 1813744579 MXWNGJJZHDFUDD-QQNWGBJXSA-N 483.587 5.046 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c(Cl)c1 1813869483 HZGNSTRDAPWLNI-RTGAMMJTSA-N 487.003 5.304 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4c(s3)CCC4)n[nH]2)c1 1816617940 BMPPBJCPZBVUAC-IIBYNOLFSA-N 473.602 5.207 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)n[nH]2)C1 1817765261 LGCOCDHRVZRIBI-QFIPXVFZSA-N 477.515 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(-c3cccnc3)n2)n[nH]1 1818149590 GULYOQYWFPOUOL-NQIIRXRSSA-N 476.606 5.003 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4ncccc4c3)n[nH]2)c1 1818480076 TXXVOUYLUZBNNY-CJAUYULYSA-N 478.556 5.205 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)[nH]n2)oc2ccccc12 1818569684 FSNUCQTXMCUILX-QFIPXVFZSA-N 485.519 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)cs2)[nH]n1 1819306118 XDLLJVOWDFMYKJ-NVXWUHKLSA-N 477.428 5.308 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(F)c(F)c3)CC2)[nH]n1 1819308001 SFTZTKASCONJRJ-AVRDEDQJSA-N 468.548 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)[nH]n1 1819309489 CEMVGLGQLKXMEN-CTNGQTDRSA-N 471.001 5.075 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)n[nH]1 1819369277 RUGUXNHMMSDPOW-DYESRHJHSA-N 481.597 5.129 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384753 WGQJHPFKPCDZOW-QHCPKHFHSA-N 481.717 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)[nH]n1 1819554338 UASWJIOWSAKEBC-GOSISDBHSA-N 468.989 5.189 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1819555456 HTVKNUQEWQNGKZ-NRFANRHFSA-N 451.546 5.328 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1820656237 SCCRALZLVSNERN-OPAMFIHVSA-N 491.979 5.318 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)Oc2ccc3ccccc3c2)n[nH]1 1820712423 SYQPMTKAOAZOEF-YADARESESA-N 490.604 5.004 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)cc1 1821122081 BYKZKIFKPYMBGT-JOCHJYFZSA-N 479.943 5.013 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)cc1 1821275796 QOGUGSUWZVAOAI-BWSGXRDBSA-N 489.576 5.341 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC3CCCC3)[nH]n2)cc(C(F)(F)F)c1 1821309071 VQHWEURHRUNKIU-HXUWFJFHSA-N 473.499 5.186 30 20 JKED C[C@@H](Cc1ccco1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821311565 ZFSTUBYAUYEPNC-YCRPNKLZSA-N 499.493 5.078 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2Cl)N(C)C)n[nH]1 1821759454 NBRKHZCSYKXGAA-LADGPHEKSA-N 484.044 5.127 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)[nH]n1)C(F)(F)F 1821993524 FILYQUKGCPXKRB-GOSISDBHSA-N 480.918 5.296 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c(C(C)(C)C)c3)[nH]n2)c1 1823210380 BEXKDWNZIBYNKY-VGOFRKELSA-N 472.593 5.282 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)ccc1F 1823216358 HOBLSJUJTHOCTD-GAJHUEQPSA-N 459.525 5.104 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC(F)(F)F)cc3Cl)CC2)C1 1823701805 DOTQQJMRYQAYFZ-JOCHJYFZSA-N 498.973 5.481 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(F)c(F)c2)CC1 1823978872 OLSRNJVKAMJTAN-WIOPSUGQSA-N 458.593 5.286 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1824545056 RYHJIWXXHQURNF-WOJBJXKFSA-N 474.564 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1 1824642046 LDQNQNGBBYBOKD-JSURNVDOSA-N 487.566 5.280 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1825189779 KLYWPNYBATXOMK-JOCHJYFZSA-N 477.571 5.031 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCCCc2ccccc2)CC1 1826324257 QOUPMCQVIHJADX-SANMLTNESA-N 451.655 5.493 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1)C(F)(F)F 1828151369 BTTMFDFMEOSFJR-FQEVSTJZSA-N 467.919 5.173 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828527885 YYVBVJXQEYQATA-AREMUKBSSA-N 477.649 5.475 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2OC)CC1 1828831450 UWPNJQWUVWCHMH-DNQXCXABSA-N 473.057 5.279 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1829067271 HAEYIWDXCIODAC-HOFKKMOUSA-N 479.709 5.663 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)c1 1830355385 WQJQDWMQRHXCJY-YYTYUTFWSA-N 461.650 5.247 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)c(Cl)c1 1830362814 YLGYFDCVIGQRKT-RUZDIDTESA-N 481.999 5.135 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830631698 MVKJIHLHIWKHHK-JXJSOSRJSA-N 487.669 5.600 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)cc1 1830633767 UDTMXUJQPWHYOT-HHHXNRCGSA-N 469.629 5.108 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)c1 1830718231 CWPCHKJGQFZYLK-MVERNJQCSA-N 494.010 5.388 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830771422 XZWLNTXKKJDRLG-JIPXPUAJSA-N 468.601 5.041 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)cc1 1831058959 BANNFKOUDRAMFV-HHHXNRCGSA-N 491.591 6.005 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059168 FVHOZHIDSHRVMU-CPJSRVTESA-N 458.602 6.032 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2Br)CC1 1831374864 UUOKQKYCMMTGQM-BEFAXECRSA-N 483.397 5.173 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1831445910 MKFXLGXHNWJWAI-IBGZPJMESA-N 464.553 5.485 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)c3cccs3)CC2)c1 1832146471 AGKSSYLBRYTRTL-NMMYMHLASA-N 463.647 5.412 30 20 JKED COc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832604630 RBNKPCKGLPSUKW-KBMIEXCESA-N 477.580 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1832632979 ARSLNPHTZRWFRY-SSOJOUAXSA-N 499.989 5.792 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1832825907 MTPVQKXKTKSSRY-NDEPHWFRSA-N 479.624 5.549 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Br)ccc3s1)C2 1844202501 LWPBKTPDIDISCG-SFHVURJKSA-N 473.436 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)C2 1844357260 STFPFGMOKXOERH-HXUWFJFHSA-N 483.653 5.082 30 20 JKED COc1c(C(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](C)C#N)c2)C3)cc2ccccc2c1Cl 1844753556 GTFYGADAZPTKDO-SFHVURJKSA-N 487.987 5.260 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2scc(-c3cccs3)c2c1=O 3472770 CWMKGQIIDNGMHX-AWEZNQCLSA-N 478.624 5.363 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nc2scc(-c3cccs3)c2c1=O 9964571 LEHXBITZNCEBEL-OAHLLOKOSA-N 459.662 5.112 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(Cc2ccccc2)cc1 10118195 ODZZZFVQUXBXIY-UHFFFAOYSA-O 453.587 5.624 30 20 JKED N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)c(F)c1 10134652 LORPTBVNONXPIK-UHFFFAOYSA-N 456.333 5.939 30 20 JKED Cc1ccccc1-c1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c2cnn(C(C)C)c2n1 10278421 YQSYHYQHTOSUGN-MHZLTWQESA-N 478.600 5.010 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 11153234 RANRBMYDVSXRPC-UHFFFAOYSA-O 486.060 6.886 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 11268963 HEVBYEOTPHGPHJ-UHFFFAOYSA-O 478.062 6.639 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nc2sccc2c1=O 16768777 WZNKSKCRTGDBEB-FQEVSTJZSA-N 463.584 5.125 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(Br)cc1 17703832 JCMFVZFLEPNBFU-HNNXBMFYSA-N 482.407 6.105 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccccc1 18259290 WHXBLLPEJHEXJZ-CQSZACIVSA-N 461.572 5.542 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1cccnc1 18404951 SDDOLDKMHVTPMV-HSZRJFAPSA-N 471.586 5.315 30 20 JKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(C)C2(C#N)CCCCC2)cc1 21275964 KMAJVQJCLDBEFW-UHFFFAOYSA-N 489.645 5.034 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731035 ZAOPGSUODCOTGY-UHFFFAOYSA-O 471.671 6.548 30 20 JKED C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)N(CCC#N)c1ccc(F)cc1 22929628 ZXBLGYBCRCIZMK-KRWDZBQOSA-N 457.461 5.126 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nccn1-c1ccc(Br)cc1 25399561 QCTJBWGFNDHCKS-MRXNPFEDSA-N 485.407 5.071 30 20 JKED COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(CC#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 26384156 QYZSTPANJKSZNN-BDYUSTAISA-N 453.542 5.193 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(SCc2cccnc2)cc1 26652416 SWHGIJIJFVFBNS-UHFFFAOYSA-N 453.592 6.649 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)cc2C)cc1 28793466 FEJFSQOGYPKYBR-UHFFFAOYSA-O 490.693 6.693 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)cc1 32164008 LWKUKFMILOOULQ-XMMPIXPASA-N 490.401 5.289 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1ncc(-c2ccc(Cl)cc2)o1 32860628 GZWUIIBPZBUZDN-UHFFFAOYSA-N 456.930 5.783 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 106116339 FZUIUZRBNMXWFC-UHFFFAOYSA-N 488.551 6.299 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)c2c(F)cccc2F)ccc1Cl 195595514 HIWSEFVBKMBGRE-UHFFFAOYSA-N 494.922 5.415 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1Cl 303392702 PAMJDNNXKVWOLJ-URXFXBBRSA-N 457.961 5.486 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481655221 IIPAOGNLGASVNY-XMMPIXPASA-N 475.520 5.663 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 487322001 LLNGBXHLDQTPLC-UHFFFAOYSA-N 450.976 5.943 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CSCc3cc(-c4cccs4)on3)s2)cc1 488924013 KSIGGLIQQRSJNB-UHFFFAOYSA-N 452.586 5.194 30 20 JKED CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 498000474 AASDZUUMORCCHV-SFHVURJKSA-N 454.958 5.164 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c2C#N)C1 498285246 LYWRSZIPTHAMRG-KRWDZBQOSA-N 469.632 5.101 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c(C)c1 498841897 YCSFOTZKZYTDOY-QGZVFWFLSA-N 480.613 5.419 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1 499818253 GYZNRGLUOQJSKC-XMMPIXPASA-N 477.358 5.113 30 20 JKED Cc1cc(Sc2nnc(-c3cccnc3)n2Cc2ccco2)n2c(nc3ccccc32)c1C#N 502106574 CRMICEPOGWBKHB-UHFFFAOYSA-N 463.526 5.114 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1Cl 504421892 MVNPFNMHHAQUFQ-DNVCBOLYSA-N 450.892 5.001 30 20 JKED COCCOc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 508766119 URJJICKFKYVACA-UHFFFAOYSA-N 491.363 5.327 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)n2)cc1 510245176 VVFLAJSIKVKFKP-UHFFFAOYSA-N 468.513 5.679 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc2ccccc2[nH]1 511339020 IDQSTNGKPXNRAH-RUZDIDTESA-N 453.546 5.727 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)ccn2)cc1 511620689 SBMWTSCRAQWATD-UHFFFAOYSA-N 486.450 5.407 30 20 JKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 513671086 GAZANMLAJXGCID-HXUWFJFHSA-N 450.523 5.648 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)c(F)c1 514500327 DUYWABPFFAJKCY-UHFFFAOYSA-N 486.528 5.611 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OCC(F)(F)F)nnc1-c1ccc(Cl)cc1 514915386 ZPMFLOSZQOHKPS-UHFFFAOYSA-N 482.915 5.456 30 20 JKED C[C@@H](Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 515717613 QBHJXVDFKMNMCS-QGZVFWFLSA-N 490.604 5.648 30 20 JKED Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518157831 DMOIXRNXPVYQPT-UHFFFAOYSA-N 463.525 5.052 30 20 JKED CCC[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1cccc(N2CCCC2)c1 518682078 QJYJSWLLIYMDAL-AUSIDOKSSA-N 479.650 5.467 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)CC1 520080982 SPJIEDGYDRGNCW-UHFFFAOYSA-N 492.539 5.059 30 20 JKED C=CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 520194926 LOYQNHWHSRWRTA-OAQYLSRUSA-N 493.571 5.088 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cs1 520918848 VDMXANVBYWTGKG-UHFFFAOYSA-N 458.499 5.142 30 20 JKED CCn1c(SCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnc1-c1ccccc1C 521492285 IPAMHPCAOUWSRY-UHFFFAOYSA-N 469.570 5.668 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 521494910 DNGYEEPFGOLYFP-SIBVEZHUSA-N 453.542 5.289 30 20 JKED Cc1ccc(I)c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 521500670 QJCKAVOGGJTUJU-JOCHJYFZSA-N 482.321 5.173 30 20 JKED Cc1cc(CN(C)C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc(C)c1OCC(F)(F)F 521738861 NCQLJTPNWYXDBN-OAHLLOKOSA-N 493.551 5.093 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2cccs2)cc1 521741760 FRHQJZXQRMIVRE-QHCPKHFHSA-N 463.628 5.551 30 20 JKED O=C(CCCC(=O)Nc1ccc(F)cc1C(F)(F)F)Nc1ccc(F)cc1C(F)(F)F 524386587 JIIRGXUDTAEVBF-UHFFFAOYSA-N 454.317 5.750 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 553649195 UXQUCUAYPSIESR-IBGZPJMESA-N 490.995 5.445 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCc1ccccc1Cl 556932611 HTCWOVUMOXSGLQ-IBGZPJMESA-N 475.957 5.936 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)Nc1ccc(Cl)c(C#N)c1 591603856 UAPJEEISXBWOLQ-ZDUSSCGKSA-N 481.002 5.849 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2)c1C(F)(F)F 603835631 CQPATQHNNVHOLX-GOSISDBHSA-N 478.430 5.106 30 20 JKED COc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OC1CCCC1 603995102 UHCAMBXPZOCKAA-UHFFFAOYSA-N 455.514 5.393 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)s1 604084766 IKKRBLCKJHMCAL-NRFANRHFSA-N 479.005 5.355 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1Cl 604137568 JXUXMTMHLFDGHO-RBBKRZOGSA-N 479.964 5.426 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H](C)c1cc2ccccc2o1 604422798 WCTCQVVIXKGXPB-SFHVURJKSA-N 468.513 5.430 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSCc3nc(O)c4c5c(sc4n3)CCC5)cc2)cc1 604458557 DMMZWDHFEVTBRM-UHFFFAOYSA-N 488.594 5.421 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)ccc1I 604562531 AXELWHAOFUPMPK-YUMQZZPRSA-N 483.165 5.070 30 20 JKED CN(C(=O)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Cl)C1CCCCC1 608804914 MSZSTSPSSUKLEW-UHFFFAOYSA-N 491.975 6.041 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)c3ccccc3)n2)cc1 608931224 OTNUNHCXPFHBJX-WWNPGLIZSA-N 456.571 5.094 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2F)c1 609105889 DRBAMYZNSDTHTP-NRFANRHFSA-N 491.950 5.421 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 609428613 XHYKAEWHXGLBOX-WZONZLPQSA-N 478.017 6.234 30 20 JKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609435113 QLVHMISXYFHFNY-FQEVSTJZSA-N 475.614 6.332 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1-c1ccccc1 614500753 DROFDLKDOCKHRB-UHFFFAOYSA-N 461.616 5.873 30 20 JKED C=CCN(C(=O)c1cc(Br)c(OCC)c(OC)c1)c1nc(-c2ccccc2)cs1 641900543 ZQAYQOKFXZCUHN-UHFFFAOYSA-N 473.392 5.813 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](c1ccccc1)c1cccs1 642252602 HMSRWVAHIKEHJG-XMMPIXPASA-N 460.628 5.114 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 642282169 QFLHZJKVGDLIIP-INIZCTEOSA-N 473.501 6.149 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1NC(C)=O 726428258 ITFLYEPQHBKHFR-YVMONPNESA-N 485.290 5.480 30 20 JKED Cc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1S(=O)(=O)Nc1cccc(Cl)c1 726436338 OJJLNSHEVIRFTJ-UHFFFAOYSA-N 491.425 5.783 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)[C@@H]4CCCOC4)c3C#N)C(C)(C)C2)o1 727906944 DKFZYRWPEVSHFV-YPLUBFQTSA-N 480.586 5.208 30 20 JKED Cc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1-c1c(Cl)cccc1Cl 728411858 NLEAZCXDYHNWQG-ZDUSSCGKSA-N 496.326 5.158 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2)cc1 728766566 CELDKDJVZNECKQ-RUZDIDTESA-N 473.488 6.104 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2F)c1 729819017 SEPROYUWIIFHCY-QHCPKHFHSA-N 472.545 5.166 30 20 JKED N#C[C@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nc2ccccc2n1C(F)F 729892172 SIYZERXSPADHMG-LLVKDONJSA-N 480.721 6.552 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](NC(=O)c3ccc(C)cc3)c3ccccc3)n2)cc1 729892660 GADMGBBEHHYOSM-LOSJGSFVSA-N 495.604 5.865 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 730945017 KJMJCBMWPOZTTF-LHSJRXKWSA-N 484.503 5.220 30 20 JKED CSCc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2ccccc12 731061661 XUWLOPPEYVVLBM-HNNXBMFYSA-N 454.573 5.486 30 20 JKED Cc1cc(C)c(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)c(C)c1 731311412 BBOZLIULAMUXKL-VWLOTQADSA-N 498.608 5.350 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H]2c2ccc(OC)cc2OC)c1=S 732485173 NJUMNBOKGCDRRH-OAQYLSRUSA-N 454.571 5.218 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccsc2)c1 743514741 UDGYONXEICGDCZ-OAQYLSRUSA-N 467.591 5.034 30 20 JKED CN(C[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 744340933 CYEXXZDJVYVEGU-JOCHJYFZSA-N 479.646 5.570 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 744597558 WNNQKPWARWZOIE-CYBMUJFWSA-N 492.359 5.748 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 744727673 FOJMSOBMHYIZFM-UHFFFAOYSA-N 461.353 5.364 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCOC2CCCC2)c1 747044168 OSQKTYBHEXMILA-QHCPKHFHSA-N 483.609 5.444 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cscn3)C2=O)cc1 747600649 CBAINNKYEFCGRN-HXUWFJFHSA-N 485.034 5.574 30 20 JKED C[C@@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 747963053 WELJVROJPCKBCY-CYBMUJFWSA-N 496.570 5.104 30 20 JKED COc1cc(/C=C\C(=O)c2ccsc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 749105699 WRWNKEWXTKFYDF-VURMDHGXSA-N 461.461 5.689 30 20 JKED Cc1csc(SCc2ccc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)n1 749226120 HDNAZEZKBCFRCB-UHFFFAOYSA-N 476.627 5.106 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N1C1CC1 838486752 MUGZKISYBPNGAD-GOSISDBHSA-N 498.819 5.778 30 20 JKED N#CC1(c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)CCOCC1 904667876 DYPKZEZHGKSUKH-UHFFFAOYSA-N 450.804 5.168 30 20 JKED Cc1cc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)ncc1C#N 904671201 VVLYEQWULWMNBX-UHFFFAOYSA-N 457.799 5.838 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(CN(C)C)c2)ccc1Cl 914844155 NDSUGMMAIZAEKE-UHFFFAOYSA-N 484.021 5.035 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccs1 915103519 WKQYZGMBIODRMV-IGKRJTOJSA-N 453.633 5.116 30 20 JKED N#C[C@@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104370 PFQVEPMJOFDNRN-AWEZNQCLSA-N 450.532 6.284 30 20 JKED COc1cc(/C=C2\S/C(=N/C3CCCC3)NC2=O)ccc1OCc1cccc(C(F)(F)F)c1 915856936 FQINQOCESMPLNV-BKUYFWCQSA-N 476.520 5.796 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2CC(C)C)c1 916205618 HYRJZNDDDILYQB-LJQANCHMSA-N 490.423 5.074 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccccn3)C2=O)cc1 916208992 CBYQFKRGEPUSMI-JOCHJYFZSA-N 492.988 5.098 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC2)C1=O 916214458 MGNNTSFMTDNODG-SFHVURJKSA-N 477.558 5.133 30 20 JKED CC(=O)N(c1nc(C=NN=C(c2ccccc2)c2ccccc2)cs1)c1ccc(F)cc1F 916263718 BDLHWCKJGLMTKN-UHFFFAOYSA-N 460.509 5.977 30 20 JKED COc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1Br 916283722 PBTAKIZJIMHXOQ-UHFFFAOYSA-N 454.349 5.087 30 20 JKED COc1cc(C=Nn2c(C)nc3ccccc3c2=O)ccc1OCc1cccc(C(F)(F)F)c1 916293029 SKCVAAMIYMTWFI-UHFFFAOYSA-N 467.447 5.194 30 20 JKED COc1ccc([C@]2(C)NC(=O)N(N=Cc3sc(Nc4ccccc4Cl)nc3Cl)C2=O)cc1 916331672 WQRNRAZOVDDPBS-NRFANRHFSA-N 490.372 5.003 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 916885134 NLGIAWPDIHHWIO-MRXNPFEDSA-N 463.868 5.752 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916904425 COAPRHHSYJINKL-JOCHJYFZSA-N 481.577 6.109 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1nc(-c2ccccc2)cs1 917026840 POKCIGVEEFLBJL-KRWDZBQOSA-N 462.531 5.077 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)[C@@H](C#N)c4nc5cc(Cl)ccc5s4)CC3)c2c1C 917043072 GQPGPQJKHZOROL-MRXNPFEDSA-N 482.034 5.664 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2n1C(F)F 917045683 ZTOCDZHIKNZORP-AVRDEDQJSA-N 496.311 6.190 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 917517393 DWEJXQDWKLKMRF-NTEUORMPSA-N 471.944 5.801 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 917669532 RSPJOQAMHHXGKJ-XAGDYJCDSA-N 499.614 6.461 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccccc1Cl 917704058 RJPNBIHSIIVMFR-QFIPXVFZSA-N 474.973 5.372 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 918446768 ANUJIWJNVOPBHY-AHKZPQOWSA-N 497.957 5.979 30 20 JKED C=CCOc1ccc(/C=C\C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1OC 919865034 PZUOGWAKIWHKAL-NTMALXAHSA-N 475.507 5.157 30 20 JKED C=CCN(C(=O)COC(=O)Cc1csc(CC)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 920617866 OELXGNBVHMGBTP-UHFFFAOYSA-N 496.441 5.441 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc1 920854963 UECGEFPJOGBYHD-HXUWFJFHSA-N 457.331 5.747 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2)cc1 921010366 GLVAFRFHIIYPKL-UHFFFAOYSA-N 495.988 5.431 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@H](NC(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785808790 GGRMBHCOBJWIBZ-XXBNENTESA-N 481.637 5.170 30 20 JKED C[C@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1)Oc1ccccc1 1785882636 KPRDWXNXSYDIIE-OAQYLSRUSA-N 467.569 5.092 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)C(=O)CC5)CCC3)cc2)c1 1786041593 NNJQCGRCTFGSRE-UHFFFAOYSA-N 477.564 5.068 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4cc(OC)ccc34)cc2)CCC1 1786169103 GBQBKFQJOFQWFH-UHFFFAOYSA-N 457.574 5.047 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccn4)nc3)cc2)CCC1 1787006697 VEEBDOPNYSSXJW-HSZRJFAPSA-N 467.573 5.055 30 20 JKED Cc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)C(C)(C)NCCC#N)cc4)CCC3)c[nH]2)cc1 1788028770 KHJATFNVGLUOSJ-UHFFFAOYSA-N 483.616 5.020 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](N)c4cccc(Cl)c4)cc3)CCC2)c(Cl)c1 1788054169 BGNOURRXUMXMNP-QHCPKHFHSA-N 493.394 5.313 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)/C=C/C(=O)c5cccs5)CCC4)cc3)cc2n1 1788322977 ZYRZJOUBLURQEV-ZRDIBKRKSA-N 485.565 5.385 30 20 JKED C[C@H]1CCc2c(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5Cl)cc4)CCC3)n[nH]c21 1790083949 QPNZXKXJZMUTIE-HNNXBMFYSA-N 473.964 5.046 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)cc3-n3nccn3)cc2)CCC1 1790096691 UFQHSJQKQXCUSQ-UHFFFAOYSA-N 469.589 5.092 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CC34CCCN3CCC4)cc2)CCC1)c1ccc(O)cc1 1790459039 DXSHNUBZQYJFTI-DEOSSOPVSA-N 499.655 5.042 30 20 JKED COc1ccc2c(/C=C/C(=O)NC3(c4ccc(NC(=O)[C@H](C)ON=C(C)C)cc4)CCC3)c[nH]c2c1 1790568277 QATBBQMZUHWFKI-HBYKMFCXSA-N 488.588 5.125 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C3(Nc4cccc(OC)c4)CCSCC3)cc2)CCC1 1791138402 MCLKPWBFUPOYNW-UHFFFAOYSA-N 479.646 5.083 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)CCC2)cc1 1791253807 HQKZWCOUFNPNEA-ZZTDLJEGSA-N 481.637 5.121 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3OCCc4ccccc43)CCC2)cc1 1791295926 DLWAROYYIMYIDX-QFIPXVFZSA-N 454.517 5.036 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)CCC2)cc1)C(F)(F)F 1791302128 OAPRUOHCDBCXJI-UHFFFAOYSA-N 490.432 5.221 30 20 JKED COc1cc(OC)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792125074 RIEGBFHHPQEHKZ-LJQANCHMSA-N 483.568 5.392 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1792149000 ICPRJVFYNGEBGQ-UHFFFAOYSA-N 473.960 5.476 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2sccc2[nH]1)c1ccc(C#Cc2ccccc2)cc1 1798202290 OECLIRSTOFRJQM-BKFWDETESA-N 479.605 5.195 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1F 1800412427 IIILUGKYFUFYHA-BCDXTJNWSA-N 482.594 5.147 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C3)cc1 1800543736 YOFASQQUHVNOIE-BJWYYQGGSA-N 493.888 5.130 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2)C3)cc1Cl 1800793598 ZFDMHAUHRNDPTP-ACDBMABISA-N 486.399 5.218 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1802393597 QZTYKCIDLGHVJZ-AMOMVJEUSA-N 486.660 5.198 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)[C@H]2c2cccnc2)C1 1802416902 KNBXHKFVAVCVJI-CPJSRVTESA-N 490.003 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[C@@H]1c1cccnc1 1802498944 CYQHJFUGQVPDKX-CAOCKLPOSA-N 497.083 5.036 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1802742974 SPIGFNQFFXZOFL-XUZZJYLKSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1803092180 JMIVXBUEMCCLJU-MEGDVHFJSA-N 482.628 5.359 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)c1cc(F)ccc1C(F)(F)F 1804138626 GMTXAKXFNZQOMM-JMGPTOKJSA-N 494.451 5.465 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1804168519 PKCZAHDIMFQWHL-AZQAYAFVSA-N 491.701 5.453 30 20 JKED N#CCC(=O)N1CCCC2(CCN(C(=O)CC3CCC(c4ccnc5ccc(F)cc45)CC3)CC2)C1 1809023349 GPPZXBOEOOKFBD-UHFFFAOYSA-N 490.623 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@H]1c1cccnc1 1810171120 DAJJSMGXMGKCCJ-OLTDZJDTSA-N 463.666 5.462 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1810171228 BXZRFLCJYHIYOM-PWWKTKHKSA-N 485.550 5.117 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1C 1810271051 CKFXMDPWQSUWHF-AHKZPQOWSA-N 475.709 5.069 30 20 JKED CCC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)C1)n1cccc1 1810936799 UCAZICXTHUBXGL-RUZDIDTESA-N 490.648 5.033 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1)c1ccccc1 1811818289 INCKHZNAJSYWEF-FXVJXKIMSA-N 486.015 5.252 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1)C(F)(F)F 1813768150 KOWAWXJWWVZLMS-DNVCBOLYSA-N 486.321 5.135 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815208668 IIUWAKNWGDPZRZ-LXBDKUERSA-N 473.017 5.086 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1815658943 KKZSBSWFRZZPBL-MRXNPFEDSA-N 487.840 5.595 30 20 JKED Cc1ccc2oc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)cc2n1 1817690153 JUJNPLSAGJVUNM-NRFANRHFSA-N 491.668 5.216 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)s3)[nH]n2)cc(C(F)(F)F)c1 1821308698 BDJTVDVLOXHSQZ-INIZCTEOSA-N 491.470 5.120 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1821920540 IOOAEZDDQIKEFL-IVZQSRNASA-N 465.985 5.438 30 20 JKED CCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1821939383 KZPQNWCTFCGNNJ-GOSISDBHSA-N 461.488 5.042 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1)C(F)(F)F 1821992780 JBENWYMRDQKORE-OAHLLOKOSA-N 461.271 5.141 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1)C(F)(F)F 1821993021 QHPWSFXRGNUIIV-HNNXBMFYSA-N 494.823 5.506 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CCC3)n[nH]2)cc1 1822315086 IQGMNTZRYGPIGX-RUZDIDTESA-N 481.600 5.028 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n[nH]2)c1 1822330149 YKFLHRCFAMBZHA-ZQJMJJNQSA-N 467.573 5.146 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2cccnc2)n[nH]1)c1ccccc1 1822913621 KVUIMLDNJIUOMV-RSXGOPAZSA-N 483.616 5.017 30 20 JKED Cc1cccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1823124515 OBZQDTPHYDPLLR-HXUWFJFHSA-N 465.916 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)[nH]n2)c1 1823210566 HGUSATHIJHBBPK-WAIKUNEKSA-N 493.970 5.378 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#Cc3ccc(Cl)cc3)[nH]n2)c1 1823210760 HXLOMAQYTYLYGT-MHECFPHRSA-N 485.975 5.048 30 20 JKED COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(Cl)c1 1823248499 LFFGHVBLGNHDJD-WAIKUNEKSA-N 491.979 5.318 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)[nH]n3)c[nH]c2c1 1823567742 DHMDXVSIEBEEQF-MYHFBWBUSA-N 478.556 5.090 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1 1824139621 NSHLKWXSECGJPO-DEOSSOPVSA-N 477.020 5.246 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1824497992 LTYROBGEYAJGNP-YKSBVNFPSA-N 461.046 5.046 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1824509700 FKNOJHDOQPQSJD-CUNXSJBXSA-N 476.617 5.303 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCCC2)CC1 1824761054 HFNVOFAKQANCTB-DNQXCXABSA-N 489.701 5.046 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1824960940 QDSKGAWZIHFPGZ-HXUWFJFHSA-N 487.012 5.094 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnccc2C)CC1)c1ccccc1 1825222754 FBMATCZKXUUDPS-URLMMPGGSA-N 485.672 5.140 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)CC2 1826425078 JULDMKJFCQATGU-SFHVURJKSA-N 486.597 5.304 30 20 JKED O=C(/C=C/c1cc2ccccc2o1)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826524518 GHFVFJXVQYIBIX-BKJWKRJESA-N 466.581 5.117 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1828519448 USSPCGSRQRWBBX-AREMUKBSSA-N 472.564 5.034 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1829066356 CVABZZMGGCTNOG-HSZRJFAPSA-N 467.679 5.830 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829571812 CYMHRDYWSBTZIL-QFIPXVFZSA-N 472.589 5.211 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c1Cl 1829685646 LTDDWUUPAHYLLC-XMMPIXPASA-N 499.989 5.356 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c1 1829974661 YPOIWZZJFXUVIV-UQBPGWFLSA-N 464.009 5.514 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830529639 NPVXCMKHEDUXLA-VQTJNVASSA-N 474.564 5.032 30 20 JKED CC(C)(Cc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830629202 YHWOOYNOIBJLCM-HHHXNRCGSA-N 471.645 5.255 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(C)snc3s2)CC1)C(F)(F)F 1831450710 GDTMRJRSVBNHFX-MRXNPFEDSA-N 471.570 5.018 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)c1 1831727474 GOGIKDRNBSIWOD-HHHXNRCGSA-N 486.591 5.045 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccc(Br)cc3n2)CC1 1831849787 GSCISBWNZYSNNC-XMMPIXPASA-N 496.449 5.034 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1832029494 CTNCFYXNJBHVRU-NDEPHWFRSA-N 496.655 5.657 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1832630049 XVLSBJKOIKVGTA-LXFBAYGMSA-N 471.645 5.407 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832716828 BFVVCAFJZZZBFY-OAQYLSRUSA-N 466.931 5.006 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)CC1 1832720925 CKMRFZCRUXXTSE-HXUWFJFHSA-N 479.846 5.139 30 20 JKED Cc1nc(COc2cccc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)c2)cs1 10687342 GFZCGRFIYOOADK-UHFFFAOYSA-N 492.601 5.231 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1C 10756974 LLOLGSMTVZKWIP-UHFFFAOYSA-O 468.017 6.313 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccc(C)cc2)nnc1-c1ccncc1 12055635 IANUBQZRBOVOIQ-UHFFFAOYSA-N 457.559 5.358 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(O)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 18256785 VLUIFMQSSWTDNR-UHFFFAOYSA-N 463.584 5.056 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18526302 PQBBQJMQELDERH-CYBMUJFWSA-N 471.629 5.187 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 21683572 JGQCVWHWMVGSNV-UHFFFAOYSA-N 467.353 5.220 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)CC1 22283626 SAOZEXQLTVHCPB-RKDDFOCISA-N 455.628 5.455 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Cl)c(Cl)c2)c1 22695168 SJAYTIGJYGKDHJ-UHFFFAOYSA-O 452.333 5.918 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(OC(F)F)cc1 22730291 KJFPGAUTRHULHF-UHFFFAOYSA-O 463.476 5.467 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc2c(s1)CCCC2 23650990 PHSAZYWGXTYPPL-UHFFFAOYSA-N 477.973 5.309 30 20 JKED C[C@@H]1CN(Cc2csc(/N=C(\O)COc3ccc4ccccc4c3Br)n2)C[C@@H](C)O1 29781819 FZUFPLVJDSOJRF-HUUCEWRRSA-N 490.423 5.335 30 20 JKED CCc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 33197449 ULQWKOKZOSOALK-VXGBXAGGSA-N 451.386 5.213 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nc3ccc(Cl)cc3[nH]2)n(Cc2ccco2)c1C 58505591 LFABRMFBEFCLCK-UHFFFAOYSA-N 453.955 5.269 30 20 JKED COc1ccc2c(C)cc3nnc(SCC(=O)c4cn(CCC#N)c5ccccc45)n3c2c1 104504175 SJIVYLLMICSDCX-UHFFFAOYSA-N 455.543 5.043 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 109905704 JAEGGLGSUXFXGG-AWEZNQCLSA-N 483.378 5.002 30 20 JKED C=CCn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1[C@H]1COc2ccccc2O1 115196657 ARYMZZSNWLIFNQ-HXUWFJFHSA-N 471.966 5.084 30 20 JKED N#CCc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 195691027 QIVGSTMFBZLINE-UHFFFAOYSA-N 471.358 5.549 30 20 JKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4C(F)(F)F)cc3)CC2)nc1 195708795 TVBLQFSJEDENKJ-UHFFFAOYSA-N 467.451 5.118 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)C(C)(C)c2ccccc21 197569812 XFFRNNOFWFPSAG-UDWIEESQSA-N 455.967 5.275 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nc2sc(C)c(C)c2c1=O 255941843 USMWXSYNZWPYBI-QGZVFWFLSA-N 455.649 5.812 30 20 JKED Cc1ccc(-c2nc(CCNC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)co2)cc1 303150616 CMKOQDFPRVPUTB-UHFFFAOYSA-N 476.587 5.030 30 20 JKED COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2S[C@H](C)CC#N)cc1 303318507 HHJFCNVIBICGID-IBVKSMDESA-N 484.625 5.879 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2C2CC2)cc1Cl 303336084 XNHNPFFZNSWMOE-HNNXBMFYSA-N 450.995 6.216 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)o1 303356425 YRPUIBUQZWHSED-UHFFFAOYSA-N 457.511 5.225 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 480410882 YXEUZVLFIFCPIB-OAQYLSRUSA-N 457.486 5.457 30 20 JKED CC(C)COC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccco1 481633177 YJDXAXNSIMWKEC-QFIPXVFZSA-N 451.498 5.405 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 494165752 XVIIDXBUAXPIKD-MNDPQUGUSA-N 491.547 5.871 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)oc12 495361169 XOUQNAGWZFDGIR-IBGZPJMESA-N 456.546 5.717 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 500743588 NWERANHZTFWSCA-UHFFFAOYSA-N 458.514 5.668 30 20 JKED COc1cc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c([N+](=O)[O-])cc1OC(F)F 501149680 PZYRQQVEJTUHER-UHFFFAOYSA-N 485.418 5.371 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(Cl)cc1 501451822 JTNLEHGNFRJMNH-VWLOTQADSA-N 461.949 5.191 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)CC2)c1 502035975 DUXJUZFCBRFKOA-UHFFFAOYSA-N 495.608 5.218 30 20 JKED COC(=O)c1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC 510007734 WSWLRHBYFVUOTR-OAQYLSRUSA-N 463.921 5.112 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)s2)cc1 510243309 LCQBOGKBEDZYEQ-UHFFFAOYSA-N 489.548 5.917 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cccc(OCC(F)(F)F)c3)c2)c1 511473942 JSZJKEAWDPYDDV-UHFFFAOYSA-N 468.435 5.073 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1SCC(=O)N1CCCC1 511560735 GEHGSNRWQVNHLZ-UHFFFAOYSA-N 471.582 5.626 30 20 JKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl)CCCC2 512078455 MKLUWBFAXSMXGW-CQSZACIVSA-N 498.958 5.216 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 512274325 BWFMYICKBGIJDZ-UHFFFAOYSA-N 481.531 5.078 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 512807816 KUNRVFHFRVAUJP-UHFFFAOYSA-N 498.004 5.073 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nnc1-c1ccccc1 512862511 RQUUKSNZSKQKOK-UHFFFAOYSA-N 453.365 5.841 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)CC1 513784539 TYODYPAYYHKMNN-UHFFFAOYSA-N 495.564 5.938 30 20 JKED N#Cc1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)ccc1OCC(F)(F)F 515703024 AHAXOXUISSCLGX-UHFFFAOYSA-N 484.459 5.433 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)C2CC2)cc1 516387388 ABMDFCHMUUWTBS-SFHVURJKSA-N 498.608 5.129 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 517795569 ARUWNRCFHFHMHT-NRFANRHFSA-N 480.549 5.216 30 20 JKED CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 518824960 KDKXTGVYZSIBOO-UHFFFAOYSA-N 487.551 5.220 30 20 JKED CS(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 520112251 RWYOOVSGVDRQJL-UHFFFAOYSA-N 484.961 5.205 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1SC[C@H](C)C#N)O[C@H](C)C2 520854186 FXGZMVOLWPARJO-RDBAUFEQSA-N 451.592 5.338 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2c(F)cccc2F)cs1 524012373 TVDSNFLONQXXFL-GFCCVEGCSA-N 467.478 5.431 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)cc1 557700042 PFRLAHGZUULHFW-UHFFFAOYSA-N 498.652 5.917 30 20 JKED Cc1nc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)sc1SCC#N 603775566 SWSGSGMRWXQVNT-PEZBUJJGSA-N 472.595 6.338 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1-c1ccc(Cl)cc1 603920871 CXIJBRIHZXGNTC-UHFFFAOYSA-N 456.933 5.732 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 603968555 BBWGXFVBBWJRBK-INIZCTEOSA-N 456.493 5.556 30 20 JKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)ccc1Cl 603989673 RXQVCJCCEGTSHP-UHFFFAOYSA-N 490.991 5.163 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2)c1 603995642 PVDQKFWEKDRKOV-HHHXNRCGSA-N 488.547 5.310 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)o1 603997317 CILPCXPUNFLWKS-FQEVSTJZSA-N 451.320 5.470 30 20 JKED Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(OCc3ccccc3C#N)c2)c1C 604383196 BEDHQXSSHDFEOO-HHHXNRCGSA-N 497.595 5.014 30 20 JKED CCOC(=O)c1sc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)c(C#N)c1C 604456080 OWKXHFCASIRZFK-UHFFFAOYSA-N 451.982 5.504 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)s2)cc1 604468722 QQYHSJMADHOWRG-UHFFFAOYSA-N 477.596 5.268 30 20 JKED CCc1c(C)sc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1C#N 609032358 DJALPCZBSRMZGW-AWEZNQCLSA-N 450.391 5.288 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)c1C(F)(F)F 609065272 NUFBDRQSBWIHGL-UHFFFAOYSA-N 489.347 5.478 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccsc3NC(=O)c3ccc4c(c3)CCCC4)CC2)cc1 609161250 KYKOEKDUGPSNGD-UHFFFAOYSA-N 498.652 5.099 30 20 JKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609203235 VMGZVMPQGZFIFC-QHCPKHFHSA-N 488.415 5.080 30 20 JKED CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613346501 LIIQTBDYDQRAAD-QGZVFWFLSA-N 458.370 6.201 30 20 JKED C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)C1 613403407 OEDSOZGVGJCSKF-KHYOSLBOSA-N 488.034 5.106 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 613403924 LLDSOOHDWYKBLG-FQEVSTJZSA-N 486.478 6.259 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cc1 613406967 BSVIGLXTAKZQJL-HXUWFJFHSA-N 480.998 5.722 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)Cc2ccccc2C)nnc1-c1ccc(Br)cc1 613937596 CATZBNZWRWVRKH-KRWDZBQOSA-N 485.451 5.042 30 20 JKED C=CCN(C(=O)c1cc2c(C)cc(C)nc2s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614252985 ZBHDVGGLFBSOGQ-UHFFFAOYSA-N 483.640 5.273 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618552316 OKHZVXYXNKOLHF-KBPBESRZSA-N 465.369 5.285 30 20 JKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc2ccccc2n1 620304352 VIIVIXFWRDQUNP-QGZVFWFLSA-N 468.353 5.607 30 20 JKED O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 622477658 GTRFFQUYAUOHRY-AWEZNQCLSA-N 457.777 5.505 30 20 JKED C=CCn1c(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)nnc1-c1ccncc1 645072427 QLDHJHDIBSZADU-UHFFFAOYSA-N 451.555 5.649 30 20 JKED CCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 726074261 OZDVSKWDQHSKEB-IZLXSDGUSA-N 495.627 5.871 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(OC)ccc1OC 726395122 JOCCGODJMYUTSV-HXUWFJFHSA-N 475.998 5.036 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CCC)C1=O 726407468 SCQPHTSYSNAAQR-NRFANRHFSA-N 485.009 5.371 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C#N)c(Cl)c1 726409208 PLAVIVHPNQKRJC-IBGZPJMESA-N 473.385 5.320 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2ccc3c(c2)CCCC3)c1 726573445 DLPMDCMFFPCMBH-UHFFFAOYSA-O 480.440 6.464 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)c(Cl)c2)cn1 726893773 ZTJSGGIDIXAHBW-HXUWFJFHSA-N 498.967 5.043 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([C@H](C)OC)c2)c1 726930728 UJFVCNRBHCVHSK-SFHVURJKSA-N 485.005 5.681 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2C)c1C 727252626 JCPYAIBWFOYHGY-XMMPIXPASA-N 489.645 5.297 30 20 JKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CCC[C@H]1c1ccccc1C(F)(F)F 728115944 CIHGLOKBJZFSLQ-INIZCTEOSA-N 450.354 6.155 30 20 JKED CCC(C)(C)C1C/C(=C/c2nccn2CC(F)(F)F)C(=O)/C(=C\c2nccn2CC(F)(F)F)C1 728695214 SIEAZMYCMXULGB-NFLUSIDLSA-N 488.476 6.087 30 20 JKED COc1ccc(N2C/C(=C\c3cccnc3Cl)C(=O)/C(=C/c3cccnc3Cl)C2)cc1 728696852 GQAHRFDSDKMAGP-KLCVKJMQSA-N 452.341 5.348 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccc(F)cc1 728776222 AKCYZRSXUJZKPA-IBGZPJMESA-N 492.498 5.499 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnccc2C)c1 729403307 AFBMEUOLXMZUMY-UHFFFAOYSA-N 476.385 5.330 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@@H](c2ccccc2)C2CCC2)C1=O)Nc1cnccn1 730709275 QTLALHXNMZTUOH-URXFXBBRSA-N 489.576 5.117 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730943668 IXKCDZRKBDOFJX-SBUREZEXSA-N 494.567 5.698 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 731006322 YOCNPCARHBDOLK-UHFFFAOYSA-N 469.472 5.398 30 20 JKED Cc1ccc(CC(=O)Nc2cccc([C@@H](C)OC(=O)c3cc4ccccc4n3CC#N)c2)cc1 731300627 IFIDSAWKGCAOPW-HXUWFJFHSA-N 451.526 5.573 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(OC(F)F)cc1 731308191 YBXDHTBSIFSGOD-IBGZPJMESA-N 477.533 5.144 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 745296221 GIJXRCUGUZOSHM-MRXNPFEDSA-N 494.400 5.034 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CCOC(C)(C)C 746697920 PUVRXRIUTXAWPT-JOCHJYFZSA-N 483.634 5.087 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1ccc2ccccc2c1 747600870 RHCNABVSRHJBLF-QFIPXVFZSA-N 472.595 5.457 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cscn1 747601172 DKHPBPRVYFAQPZ-LJQANCHMSA-N 471.007 5.265 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1CC(F)(F)F 748034803 WJIKVHDDFNMIDX-MRXNPFEDSA-N 465.566 5.869 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(Cc3ccc4c(c3)CCN4C(=O)c3ccc(C#N)cc3)cc2)cc1 748292484 ZNODVXYTEJRBLY-UHFFFAOYSA-N 482.543 5.476 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 748984639 BHDPIEUQYSVIFS-UHFFFAOYSA-N 450.539 5.119 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1 751143270 VMPJXVMFURPMJB-UHFFFAOYSA-N 455.514 5.124 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 751389325 NNNFAPHKWRGGRJ-UHFFFAOYSA-N 465.553 5.039 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1ccc2ccccc2c1 799213910 AFEAKNFDQPQKNO-IBGZPJMESA-N 457.477 5.362 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O 799219271 OIRXYZIXYQEHQI-GOSISDBHSA-N 483.487 5.137 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 818278567 ASIDYUOALWNUEH-UHFFFAOYSA-N 481.559 5.063 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 837438710 NIJOITJTAMWGAA-UZUQRXQVSA-N 494.567 5.698 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N([C@H](C)CCc2ccco2)C1=O 837831759 IBOPRRBGEYITQC-NTKDMRAZSA-N 491.613 5.578 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@H](C)c1ccccn1 838481524 IZWHKQIHMVECBR-WZONZLPQSA-N 474.586 5.120 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 914604142 CUFPRQKMKLPXKU-OAHLLOKOSA-N 451.866 5.105 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1cccc(F)c1 914772523 BQBSLYRZERHNGK-QHCPKHFHSA-N 493.560 5.003 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 915085551 CJXVTQWNHJPMQD-IBGZPJMESA-N 471.460 6.000 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103120 OYBOSAWFEUJQPZ-DENIHFKCSA-N 482.392 6.257 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNCc2ccc(C(F)(F)F)cc2)cs1 915972817 VUVXZDNXJSRJKE-UHFFFAOYSA-N 452.889 5.624 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc(OCCC(=O)O)cc2)C(=O)c2ccccc2)c(Cl)c1 915987369 DJCSABVYHXDTAM-JWGURIENSA-N 477.944 5.715 30 20 JKED CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=S)Nc1ccccc1C#N 915995643 IMNSBAWHPKBVJZ-UHFFFAOYSA-N 467.572 5.290 30 20 JKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCOCC2)c(F)c1 916128426 CNVBXEGBTWPXHL-RUDMXATFSA-N 499.369 6.118 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(Cl)s2)ccc1OCC(=O)Nc1ccccc1Cl 916135701 JLXSGTXNAUHBCD-SOFGYWHQSA-N 462.354 5.977 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)C=C1 916203013 LNJZCQOKJSQUEW-UHFFFAOYSA-O 494.036 6.091 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 916208055 RXPQLOVLICJVNO-LJQANCHMSA-N 494.444 5.689 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)cc1 916212699 QHARIUKEWNIDJF-OAQYLSRUSA-N 481.961 5.296 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cc2ccccc2nc1N1CCCCC1)CCCCC3 916273242 VOCIHFSREROHTD-UHFFFAOYSA-N 471.630 5.456 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 916885768 BJABHJBIZXSEMP-FQEVSTJZSA-N 456.445 5.894 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc12 916936577 PIKQMVVRDZHUKZ-INIZCTEOSA-N 452.898 5.149 30 20 JKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047439 XBYHUGOKNJDYSJ-FUHWJXTLSA-N 460.386 5.624 30 20 JKED CCCCCCN(C(=O)CSc1nc(N)c(C#N)cc1C#N)c1nc(-c2ccccc2)cs1 917235765 TWUVAWVEAWFIJP-UHFFFAOYSA-N 476.631 5.236 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(Oc3c(OC)cccc3OC)CC2)c1=S 917470950 SQHRCIKIWXJMIN-UHFFFAOYSA-N 480.634 5.094 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)c1 917662795 CRTANJYFSCTXCJ-NRFANRHFSA-N 467.591 5.665 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccccc2F)n1 917663681 XISKYBPZZWNSPD-OAQYLSRUSA-N 497.983 5.046 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 917716723 WQLLUVALWFVRNN-CPNJWEJPSA-N 495.676 5.968 30 20 JKED COc1ccc(/C=C2/N=C(S[C@H](C#N)Cc3ccc(C)cc3)N(c3cccc(OC)c3)C2=O)cc1 917846547 UDHDUURRIZFSEB-IPACTHBOSA-N 483.593 5.624 30 20 JKED CCOC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1cn(CCC#N)nc1-c1ccccc1 918079525 VOHXBTVZHPOCSC-VWLOTQADSA-N 487.535 5.019 30 20 JKED CC(C)n1ncc2cc(/C=C/C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c(=O)[nH]c21 918680817 XOJCZSHAODWSNL-BJMVGYQFSA-N 473.920 5.275 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2nc(-c3ccccc3)cs2)n(-c2ccc(F)cc2)c1C 919122454 HCODTBNHIWWULH-UHFFFAOYSA-N 474.517 5.024 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)sc1C 1785797313 GJQDZGRUXOAOIQ-UHFFFAOYSA-N 458.587 5.012 30 20 JKED COc1ccc(F)cc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786041226 OFLBTFQHQCSLER-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C[C@@H](C)CC)cc2)CCC1)NC(=O)OC(C)(C)C 1786259356 NCZGSFBMUDNDAI-SIKLNZKXSA-N 471.642 5.416 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1)NC(=O)OC(C)(C)C 1786749633 BKORAWCSUIAAFC-NWMLYGLHSA-N 493.604 5.286 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@H](C)C#N)c5)CCC4)cc3)cc2n1 1788325062 WQVXNUHAZHUFJW-GOSISDBHSA-N 478.552 5.825 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3OC)cc2)CCC1)c1ccc(O)cc1 1789874842 MJINQDLNKIPKPA-QFIPXVFZSA-N 497.595 5.049 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5scc(-c6ccccc6)c5[nH]4)cc3)CCC2)CC1 1790011660 RTJWORLHQQFZIL-UHFFFAOYSA-N 480.593 5.948 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)n3cccc3)CCC2)cc1 1790519663 RPSNFGRXMZGFJZ-REWPJTCUSA-N 494.636 5.043 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)c(OCC)c3F)cc2)CCC1 1790778150 NTYAFKGDDCFKDP-UHFFFAOYSA-N 490.522 5.233 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3cccc(O)c3)CCC2)cc1 1791587542 PFNGLFZOYIMYMW-QHCPKHFHSA-N 493.604 5.058 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@H](C)n3ccnc3C)cc2)CCC1)c1ccccc1 1791933328 VPVMXZOFBYSYCM-LVXARBLLSA-N 468.601 5.084 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4cccc(F)c4)CCC3)cc2)CCC1 1792229969 GYULRWKOUBIDCV-UHFFFAOYSA-N 468.532 5.329 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1c[nH]c3ccc(OCc4ccccc4)cc13)C2 1802632380 APUSVYVDKODBQR-OOSCYNTBSA-N 497.639 5.121 30 20 JKED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1802692434 OAUQRVVRCIJKOI-ATIYNZHBSA-N 498.652 5.243 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2Br)C3)c1 1803682460 BZKHWSPGVYIRAA-KWVKZCBQSA-N 492.417 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c(Cl)cncc3Cl)CC2)C1 1804857695 SHHDNYHOYQXYJN-UHFFFAOYSA-N 452.426 5.226 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1805687132 MZPFAITUFLBQKU-FBLLAGFSSA-N 463.622 5.369 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1 1806183257 LBJDTWAXNJJZFQ-UHFFFAOYSA-N 485.497 5.103 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1810173397 ONFGKXJOYKIMLA-OBTVHEKISA-N 468.601 5.026 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810267072 GLEWLBGJNJRZDO-ATIYNZHBSA-N 496.127 5.414 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c(Cl)c1 1811735199 YEAVWKQZLRXLPF-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811873421 MVERFHIWLFPPPE-NZQKXSOJSA-N 498.549 5.284 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccc(F)cc4)cc3F)[C@H]2c2cccnc2)C1 1812053558 KVEUBLLXDZRRCJ-AJTFRIOCSA-N 487.550 5.313 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)CCCc3ccccc3F)[C@@H]2c2cccnc2)c1 1813863135 GNCZODBXGPEZPR-BHAWFMJASA-N 498.602 5.190 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)noc2CCC)n[nH]1)c1ccccc1 1818278248 WJPGWOCZZLSFHM-GMAHTHKFSA-N 487.604 5.162 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)[C@H](S)C(C)C)[nH]n3)cc2n1 1818970199 GVPYOWLULTWAGG-IFMALSPDSA-N 486.041 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)[nH]n1 1819303859 QSMJMKKCSSONRV-XXBNENTESA-N 494.546 5.152 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)c1 1820547305 IEFQWLPNQVNUOB-SANMLTNESA-N 490.567 5.272 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C)cc(C#N)c3)n[nH]2)s1 1821325084 APPLCZFSEFFCTR-NRFANRHFSA-N 490.633 5.399 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(Br)cc2F)n[nH]1 1821870197 PAKYSSMUORVSGS-MGPUTAFESA-N 491.405 5.148 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1821920548 IOOAEZDDQIKEFL-OYHNWAKOSA-N 465.985 5.438 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)[nH]n1 1821922125 ZULRCORAKRRCDJ-AOMKIAJQSA-N 479.531 5.268 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1821986404 NYNWZZVVAAVUCZ-FQEVSTJZSA-N 487.938 5.437 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(Cl)c2)n[nH]1 1823241587 GOPDNEVRDUJLDF-HXUWFJFHSA-N 456.974 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823685735 FPZBTIKZDKLBBA-RBISFHTESA-N 482.628 5.051 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(F)c(OC)c2F)CC1 1823753710 YOPADJCWLQUHAL-FQEVSTJZSA-N 492.607 5.208 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c1Cl 1823938425 DFECCKMHARCZKZ-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)CC1 1824040434 SQBNYRRMAAFNGS-SANMLTNESA-N 463.666 5.333 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1824141539 SYLBGVRPRVHWSY-MHZLTWQESA-N 490.648 5.087 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1824143605 ODRCYKSJGLJSEG-SANMLTNESA-N 494.676 5.486 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1)C(F)(F)F 1827924024 FVSSLTVJJZXSDA-FQEVSTJZSA-N 477.552 5.162 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828155350 CHWNMCBEYQZIHJ-QFIPXVFZSA-N 454.611 5.467 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828497794 MRZAXXGBRDYPBG-RPBOFIJWSA-N 498.067 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1828826757 BMCQGZNFRIMJLM-AOYPEHQESA-N 460.622 5.078 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1)c1ccccc1 1828995443 DKFKPWQBWBXUMG-OSGDCWCASA-N 477.649 5.148 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)COC3)CC1)c1ccccc1 1829031954 HREUKXBPTWGESB-URLMMPGGSA-N 484.640 5.147 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 1829068953 ATNIQMHBUJDDFQ-GOSISDBHSA-N 471.589 5.388 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829230878 HTZHUKPLSPRTDL-HXUWFJFHSA-N 466.453 5.614 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)cc2n1 1829688819 JKROUWDFCQWEKN-QFIPXVFZSA-N 490.991 5.208 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829756770 QRVIWROBFTXFIH-BVAGGSTKSA-N 495.067 5.732 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)cc1 1830070658 DCGMPNLMCFHAGA-HSZRJFAPSA-N 498.549 5.082 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471718 KYAYITDORYQENO-WMZHIEFXSA-N 461.046 5.573 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(O)c2)CC1 1830579918 UQUXUPGEMQRYCU-QFIPXVFZSA-N 489.454 5.156 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)CC1 1830590721 PDTSOQPAWBBSOA-BKMJKUGQSA-N 451.655 5.122 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3N3CCCCC3)CC2)c1 1830754075 PXWPLGKVPVYITR-MHZLTWQESA-N 484.644 5.096 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806488 GQAKOLITUUENPG-AREMUKBSSA-N 464.556 5.279 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1831000092 GPBRZWZBCDGQQQ-XMMPIXPASA-N 481.587 5.515 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)CC1 1831231435 MWMUWRWAKXJYOG-DHLKQENFSA-N 454.655 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)CC1 1831232133 UGNXUEZFQXLEMJ-DNRSQYFGSA-N 452.639 5.232 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(O)cc1 1831925255 ANARQNWONIAAPA-AMGIVPHBSA-N 494.582 5.101 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1832027857 DNJPCQSMULJLNN-SANMLTNESA-N 493.598 5.454 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)c3ccccc3)CC2)c1 1832629260 MKGYSPPMFQMJRQ-RFLWCCGPSA-N 461.581 5.258 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1 1832634834 PDWNKGBNXOXAON-MBSDFSHPSA-N 498.549 5.275 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)cc1C#N 1832704475 LGKKZTGCHROFJB-KJOQGJGQSA-N 479.665 5.405 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)C1 1832708917 YGXYSZFDIJFHRQ-OAQYLSRUSA-N 452.492 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)CC1 1838422654 CPYCEXVVCCGZCG-UHFFFAOYSA-N 489.660 5.353 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1838536135 XQDSVEIUPKNZTC-LJQANCHMSA-N 474.045 5.040 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)CCCCCC(C)(C)C)CC3)CC2)c1 1838768657 ZGQNVQXRQAWXTP-HSZRJFAPSA-N 495.708 5.922 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCCCCC(=O)OC 1847534144 NZZUFDVJQQIDIS-ZEQRLZLVSA-N 460.659 5.031 30 20 JKED C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1ccc(Cl)cc1Cl 9826150 AMMVWYYTKFSCFX-UHFFFAOYSA-N 455.317 5.447 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccs2)nnc1-c1ccc(Cl)cc1Cl 9826181 QNGHUGCLJCNDSH-UHFFFAOYSA-N 453.420 5.250 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)NC1(C#N)CCCCC1 10317148 KBSWYZCCOHWKGV-MRXNPFEDSA-N 467.545 5.036 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1C#N 10711362 PXIBLIDGJDRBEX-UHFFFAOYSA-N 451.592 5.595 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10761994 BSBGZQFCPHTOHR-UHFFFAOYSA-O 462.035 6.448 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1C 10836635 NINUPXMOVNZRQD-UHFFFAOYSA-O 460.406 5.963 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1c(C)cccc1C 11153191 JXJCXQRTBBWJLN-UHFFFAOYSA-O 465.642 6.871 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2C(F)(F)F)cc1 11157077 QFKNWBIKASZMKS-UHFFFAOYSA-O 480.482 5.388 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 11268271 YSHLYRLXZKLJHS-UHFFFAOYSA-O 472.033 6.578 30 20 JKED C=CCc1cc(C(=O)O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1OC 16171365 SLSBCUXDRBHAKE-LLVKDONJSA-N 472.752 5.577 30 20 JKED COCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nc2ccccc21 16745340 WVTFEGQVWLDCGZ-HNNXBMFYSA-N 454.621 5.004 30 20 JKED C=CCn1c(SCC(=O)OCc2cc(-c3ccccc3)on2)nnc1-c1ccc(Cl)cc1 19183381 CCEKIYXYXKLQMG-UHFFFAOYSA-N 466.950 5.275 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1ccncc1 21273822 YSZKCNLSVYVVHE-QHCPKHFHSA-N 476.005 5.177 30 20 JKED CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 21881331 CZVUDCQRAQLFLX-GOSISDBHSA-N 487.581 5.035 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1ccc(Br)cc1 22735519 WIKFJHHTUBHACB-UHFFFAOYSA-O 494.478 5.387 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1cccc(C)c1 26037609 PNZALCJQTARQKB-FQEVSTJZSA-N 471.611 5.532 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nc2cc(-c3ccccc3)sc2c1=O 26163173 LJGXKHMTDUODQH-INIZCTEOSA-N 478.624 5.045 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)n1 26529810 MUBPSSPXMYXILA-NRFANRHFSA-N 485.487 5.159 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2c3ccccc3C[C@H]2C)c1 104676160 GNKXLPQWIXLKOU-GOSISDBHSA-N 466.990 5.313 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3csc(-c4ccc(OC(C)C)cc4)n3)n2)n[nH]c1=S 116403598 ZEHJAHCBGOXJAM-UHFFFAOYSA-N 498.659 5.337 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nnc1-c1cccnc1 302972127 DKSBMESYLVINEA-UHFFFAOYSA-N 454.353 5.236 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 303006622 VVJDRJAISCQRIZ-UHFFFAOYSA-N 488.588 5.416 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccc4SC[C@@H](C)C#N)CC3)c2c1C 303249896 BQPRKUKOLOFFQK-HNNXBMFYSA-N 465.648 5.415 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccnc1Oc1cccc(Br)c1 303300828 OOUQZDRFFCNHIF-OAHLLOKOSA-N 468.376 6.140 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)c2)cc1 409769005 IBSQQCLEIBAUDB-UHFFFAOYSA-N 468.534 5.577 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nc2ccccc21 481574317 NVLGYKXVNJWAAA-VWLOTQADSA-N 483.547 6.015 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)n1 482383901 JOAMEUXNFUBQFE-UHFFFAOYSA-N 476.549 5.389 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)[nH]c2c1C(=O)CCC2 487472746 LHMNSHJFHXGNRA-UHFFFAOYSA-N 458.465 5.032 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1 491568363 INFFHPCNPCHHCK-RUZDIDTESA-N 468.601 5.018 30 20 JKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)CC1 491569981 NMEHQAHHVUYEQG-OFVILXPXSA-N 465.041 5.971 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C(C)C)s1 499161599 MZGRBOLGJXOYIG-UHFFFAOYSA-N 451.979 5.624 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CCOCC1 502134090 XMWKMVNNZONBIZ-UHFFFAOYSA-N 493.028 5.850 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)cc2)cc1 503388239 WXOMCOFBDNEGQT-UHFFFAOYSA-N 465.847 5.775 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc(OC)c1OC 503473752 XAZDMRZXJGVYER-UHFFFAOYSA-N 470.569 5.207 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccccc2Br)cc1 508290661 SLIBTLBCJQMHDV-UHFFFAOYSA-N 466.335 5.786 30 20 JKED C[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)S(=O)(=O)c1ccc(F)cc1 512005673 HZZMKIJFLOJODG-HUUCEWRRSA-N 462.612 5.101 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512171779 SGSRCKQWQVLGLI-YWZLYKJASA-N 462.531 5.146 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)c2C#N)C1 514704118 MTVQIELKTUHMEG-OXJNMPFZSA-N 451.592 5.141 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)n1 516795634 RCVDOTGXQPUCDI-ZDUSSCGKSA-N 470.963 5.172 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(OC)c(Br)c(OC)c3)n2)cc1 518516489 GZSDPCMBLNAZNL-HNNXBMFYSA-N 473.348 5.088 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 519414468 KMMKLXKQJLIBBD-AWEZNQCLSA-N 473.624 5.272 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCSCc1cccc2ccccc12 520193454 QLCJIUSUYMOUOL-SFHVURJKSA-N 463.628 5.222 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520194400 SDSCRKPASDMNBL-RUZDIDTESA-N 457.530 5.572 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNCc3cccc(OCc4ccccc4C#N)c3)c2)cc1 520201791 OIPLLPHTSTZNLF-UHFFFAOYSA-N 461.565 5.988 30 20 JKED CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521692502 SQQWSJVZHFPZBK-UHFFFAOYSA-N 477.008 5.581 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 523192360 PUVZJTRILBMFHU-UHFFFAOYSA-N 476.621 5.383 30 20 JKED CCC(CC)(NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 523242995 HWJYWUSEKXWTQZ-UHFFFAOYSA-N 466.969 5.508 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)cc1 590330650 JFZATDRZNMXGLF-UHFFFAOYSA-N 487.987 6.226 30 20 JKED Cc1nc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)sc1SCC#N 603775696 BKIJSMASCLBIGA-UHFFFAOYSA-N 477.434 5.628 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)cn1 603971006 HFXQHZJSXWLGBZ-UHFFFAOYSA-N 495.535 5.272 30 20 JKED Cc1ccc(Sc2ccc(NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)cc1C 608992664 IIQOXTGOVGIJFW-UHFFFAOYSA-N 457.603 5.512 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1Cl 608994902 VTZPYBALSFPBTL-HYBUGGRVSA-N 467.903 5.879 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C(=O)Nc4cccnc4)c(Cl)c3)o2)cc1 609060597 FDMBKPCKMZXDMU-UHFFFAOYSA-N 472.888 5.283 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)ccn2)cc1 609079247 QYIGKHRQDZADDE-UHFFFAOYSA-N 494.551 5.963 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1I 609089853 INELRURSENXCEG-MRXNPFEDSA-N 469.307 5.085 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609110594 NGGVYFFMIIXZIX-UHFFFAOYSA-N 487.556 6.426 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)c2)cc1 609176964 XZMKFTINLKOTJO-OZXSUGGESA-N 473.529 5.019 30 20 JKED N#CCCSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 609375410 OFOVNCTUDBEOKC-UHFFFAOYSA-N 475.599 5.323 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 609427734 GXOCNFHJSYQYAA-OAHLLOKOSA-N 453.564 6.095 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCN(C(=O)c4cccc5ccccc45)C3)c2C#N)C1 609563048 IKVXRHJKFFDGAY-MJGOQNOKSA-N 457.599 5.389 30 20 JKED O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616409518 MPXNMXBIBHZVBF-HTQZYQBOSA-N 484.746 5.323 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1NC(=O)c1ccccc1F 620304554 MPNAIHDAOAJSPH-KRWDZBQOSA-N 491.494 6.278 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 642252188 VGGRMQMSPKPYBQ-XMMPIXPASA-N 458.562 5.666 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccsc1)c1cccs1 726414501 BDUWADAGYUIZMU-KBYAYAQGSA-N 469.657 5.077 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2cccs2)C1=O 726422159 SZBKPEHXGVOTTO-QDKFNBQJSA-N 485.656 5.408 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccn1)c1cccs1 726422608 XPBZYTXDIBIFEK-CYBYMEJFSA-N 486.569 5.011 30 20 JKED CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1OC 726428002 COZCGYAWHMRQHD-VURMDHGXSA-N 462.340 5.110 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OC)cc2)cc1 726570727 JHCSRUZVFQEEEU-UHFFFAOYSA-O 493.052 6.735 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(OCC#N)cc3)C2=O)cc1 727649900 DIRHHUCIHMAXDD-XMMPIXPASA-N 484.581 5.058 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 728006970 VKWOWALMPBERLR-UHFFFAOYSA-N 457.530 5.665 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3csc(-c4ccc(O)cc4)n3)s2)c(C(F)(F)F)c1 728601469 BSONJYLPRBDPSN-UHFFFAOYSA-N 486.500 5.706 30 20 JKED C=CCn1c(-c2ccncc2)nn(CNC2(c3cccc(Br)c3)CCC2)c1=S 728709046 NWKAWAKQYLEUTB-UHFFFAOYSA-N 456.413 5.051 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2CCCCC#N)cc1 728777787 OOMSBPHEARCNGH-HXUWFJFHSA-N 499.434 5.412 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/[C@H](C)c1cccs1 729146634 VFRAQZHKCRRFGT-JOCJEYQLSA-N 470.645 5.103 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(OC)cc1 729634591 OTKNRVCONMTSCT-JOCHJYFZSA-N 469.607 5.100 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1Cc1ncccc1C 729634661 QGXDSBBHAIUFMD-DEOSSOPVSA-N 488.613 5.122 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2C2CCC2)cc1 730460840 HADVBUHGDAKXSX-IBGZPJMESA-N 472.954 5.069 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)cc1F 730536130 PGPIBSPVEGRNHZ-FQEVSTJZSA-N 493.526 6.056 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccccc1Br 730583771 KIGQWUQNBFYFLU-UHFFFAOYSA-N 458.168 5.097 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2Cc2cocn2)cc1 730717471 NETOGBJEJFMYHS-LJQANCHMSA-N 489.384 5.450 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(Cc2cocn2)C1=O 730727591 SJBTYXUUMNEHNP-JOCHJYFZSA-N 496.564 5.071 30 20 JKED CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 731156433 FGUVRYLURBMHFH-NTCAYCPXSA-N 472.010 5.105 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 731411311 WFHCGTQOOUKAOB-HNAYVOBHSA-N 461.543 5.056 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2ccc3ccccc3n2)C1=O)NC1CC1 743512316 OFTIKLUXQZMNOR-AREMUKBSSA-N 494.620 5.231 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2Oc2ccccc2)cc1 745296439 GNXTXZWIUPJCCJ-AREMUKBSSA-N 461.521 5.389 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(F)cc1F 745583155 CIPGHTWJTACMHV-JOCHJYFZSA-N 494.498 5.136 30 20 JKED O=C(/C=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 745625925 GQSRNQSKRZZKQW-NTMALXAHSA-N 464.861 5.893 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 746416881 RAZNKPDCCPSBEE-LJQANCHMSA-N 463.946 5.936 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)cc2)C[C@@H](C)O1 747365576 SWKMFHFOAAJMQF-HDICACEKSA-N 488.613 5.046 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)c1 747599442 JBOGLBYIHUSCFN-HXUWFJFHSA-N 482.606 5.102 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747601768 WEJBLHLIRKZJMJ-GOSISDBHSA-N 474.970 5.096 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccc(F)cc2)cc(Br)c1OC(F)F 750932985 UZNMEIUEVLLYCQ-UHFFFAOYSA-N 487.301 5.018 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1C 837299421 HWIUFCHSYYOTDN-GAJHUEQPSA-N 494.567 5.698 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccs2)c1 837395472 VBMNAXMYPKFLKP-HXUWFJFHSA-N 471.554 5.495 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccs2)C1=O 837544538 MEUPYDMITAUHAV-QFIPXVFZSA-N 479.627 5.697 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1F 838539898 HSXKVSZJRLWMRL-SPLOXXLWSA-N 484.503 5.220 30 20 JKED COc1cc2c(cc1NC(=O)N1CCN(c3oc(-c4ccco4)nc3C#N)CC1)oc1ccccc12 915306902 GKZDXYAZNOINRK-UHFFFAOYSA-N 483.484 5.068 30 20 JKED O=C1/C(=C/c2csc(-c3ccccn3)n2)CSC/C1=C\c1csc(-c2ccccn2)n1 915985674 OVPYUQDHFSFMFY-KAVGSWPWSA-N 460.609 5.507 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccccn3)C2=O)cc1 916205843 RUWSXZDPBCVHKJ-XMMPIXPASA-N 488.613 5.258 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 916888096 UQVAZHJWYIWPOJ-INIZCTEOSA-N 497.552 5.281 30 20 JKED CN(C(=O)CSCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCCCC1 916997155 SBKVSPSYTJHMKY-KRWDZBQOSA-N 496.485 5.817 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2c(C)nn(-c3ccc(Br)cc3)c2C)cc1 917542360 BEHVEKYJWWLEIY-UHFFFAOYSA-N 497.422 5.080 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 917663887 PUJITRFIZRZTGD-HXOBKFHXSA-N 494.592 5.076 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cc3ccccc3o2)C1=O)NC1CC1 917671271 RXGFEGLCGNHICW-FQEVSTJZSA-N 471.941 5.026 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)SC2=Nc2ccccc2)n1 917675485 KWLPRGYNANDRMW-HXUWFJFHSA-N 499.423 5.857 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cc3ccccc3o2)C1=O 917694929 HCHQQRBQFXTTIX-GOSISDBHSA-N 462.358 5.007 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc2ccccc2c1 917699668 DWOHPWUAYXWMBF-XMMPIXPASA-N 489.597 5.039 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917700953 MRVPONYCGCSMMH-ZHRRBRCNSA-N 463.628 5.133 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(C(C)C)c1 917713865 QVQRVIPBCQBQAO-OAQYLSRUSA-N 490.025 5.079 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1 919639790 BMWHKWPHYBCQJT-GFCCVEGCSA-N 451.356 5.520 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 920109649 HYUNLLBCIVUZRO-RUZDIDTESA-N 493.563 5.918 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(Cl)cc2Cl)cs1 920364827 WUNGVTZXGFJHIS-UHFFFAOYSA-N 473.307 6.599 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1cccc(C(F)(F)F)c1 920750158 VTPJWHZZQNMLCV-WZUFQYTHSA-N 497.469 6.146 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 920867999 ZTVMBFWTAKGCRS-HJPURHCSSA-N 497.567 5.361 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1521901653 LOJNQJHJDCQXAF-UHFFFAOYSA-N 458.905 5.315 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(Cl)cc1C)C2 1779512336 XZHDXVKGRQFIOG-PXDATVDWSA-N 481.464 5.422 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc3)CCC2)c1 1785790785 MWLKASCCOOGCKO-UHFFFAOYSA-N 495.366 5.330 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)C45CC(C(F)(F)F)(C4)C5)cc3)CCC2)c1 1786461982 XFXPLYUMSVHOBB-UHFFFAOYSA-N 483.490 5.047 30 20 JKED CCCc1onc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1788778416 DUVSJUFQPQJXLT-UHFFFAOYSA-N 476.964 5.522 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(ccc5ncccc54)s3)cc2)CCC1 1789998207 NKERBNSGJOMIAP-UHFFFAOYSA-N 454.555 5.501 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccccc4)CCC3)cc2)c1 1790076022 YJFFCIRWSSSTPR-UIOOFZCWSA-N 465.553 5.118 30 20 JKED COc1cccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)c12 1790290046 CGQMLFCGHBNXKQ-UHFFFAOYSA-N 464.525 5.110 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)cc2c1 1790290422 XRPLXKJBWDFHAZ-UHFFFAOYSA-N 465.509 5.375 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCC4CCCC4)CCC3)cc2)c(C#N)c1 1790472311 BYVNUHJIZFWHQQ-UHFFFAOYSA-N 459.590 5.214 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)Cc4ccc(SC)cc4)CCC3)cc2)c(C#N)c1 1790474839 GBLSAKREAOBJPJ-UHFFFAOYSA-N 499.636 5.208 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1790566607 CDEAPSITQAQJDG-KRWDZBQOSA-N 478.980 5.437 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc(F)c4F)CCC3)cc2)cc1 1790708112 RAYPDESZISIZAB-UHFFFAOYSA-N 463.459 5.231 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CC3[C@H]4CCC[C@H]3CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791422860 NLWSVQRIHZVTPH-SFTDATJTSA-N 495.664 5.370 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3CC(C)(C)C3)cc2)CCC1)NC(=O)OC(C)(C)C 1791653430 WWISTNUXXWTYMD-QFIPXVFZSA-N 483.653 5.416 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1792266403 UUSCQPNJKGUYRE-OYDLWJJNSA-N 493.648 5.102 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 1796962217 RNKPITMZANFPPC-BKFWDETESA-N 487.987 5.356 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl)c1ccc(O)cc1 1798986344 WUZQPJQJEKFJAV-ZJPYXAASSA-N 491.440 5.210 30 20 JKED CC1=CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1800504744 KWZKFJNFAINAHN-AOGFTHLWSA-N 452.598 5.085 30 20 JKED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(C)cc3)CCCCC2)c1 1802620540 LLQBITSOBLHOJR-OOSCYNTBSA-N 485.628 5.029 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Br)cc3s1)C2 1802630906 REPFFELBMQQMPK-REPLKXPHSA-N 473.436 5.109 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)C2)cc1 1804945721 NQSZYYJFBICOCE-UHFFFAOYSA-N 477.608 5.313 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)[C@H](C)c4ccc(Cl)cc4)C3)CC2)c1 1805198489 MXEIZPVXPLLLFQ-HXUWFJFHSA-N 464.009 5.169 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(F)c(F)c3)CC2)[C@@H]1c1cccnc1 1807337570 KOSFLIAGAOJHGB-YKSBVNFPSA-N 481.587 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Br)cs2)[C@@H]1c1cccnc1 1808472993 UHSLOKVZYKFSCV-PXNSSMCTSA-N 490.467 5.218 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809441416 NAAMCRVXOHTZGP-XGRCMKMKSA-N 488.078 5.224 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3csc4c3CCCC4)[C@@H]2c2cccnc2)c1 1809786923 LGPRHKHFKDSDOJ-PSNDRKBRSA-N 498.652 5.282 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1810173994 XPADJVAGQLAZML-OARDWFSCSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1810175015 HTFSUSUSSJUKSZ-ZDEZRRDYSA-N 494.079 5.949 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1810177468 GPHKQYALPYVVIE-RKCJLZEESA-N 482.628 5.359 30 20 JKED Cc1ccc(-c2ccccc2C(=O)NC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)[C@@H]2c2cccnc2)cc1 1811530745 IGXXUKANXXHZRF-HUROMRQRSA-N 487.669 5.331 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1811617180 OECVHOYLYAZDJA-MFMCTBQISA-N 494.639 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c1 1811712355 CIGWITXWUUUBRS-SAQVGAHLSA-N 490.966 5.135 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1 1812804991 YNISNLSTILMEHD-LSYYVWMOSA-N 474.649 5.198 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c1 1814739422 UCPBMHQGADJJLP-RUZDIDTESA-N 467.573 5.097 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)CCc4c[nH]c5ccccc45)sc3C2)c1 1815623034 DPMVKOOCWYXXGJ-UWJYYQICSA-N 497.624 5.110 30 20 JKED Cc1nscc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1816261662 DKYJGWAPZDDLSB-RUZDIDTESA-N 495.608 5.194 30 20 JKED CCc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)cc(C)n1 1818366525 CZFGRPFAXOEPLJ-QHCPKHFHSA-N 479.701 5.033 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818605571 OAZKULABOYCGQN-WMLDXEAASA-N 472.998 5.175 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)nc2ccccc12 1818654065 WHHKSXSYQZJXFI-AREMUKBSSA-N 492.583 5.077 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1)NC(=O)OC(C)(C)C 1818810507 VJGWOXZTRRXWAQ-ONTIZHBOSA-N 499.656 5.008 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818813223 PJBLRXAUOTVLJG-HBRDYDSTSA-N 479.540 5.355 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)[nH]n1 1819385570 XWKVLXQDIZKZPR-QGZVFWFLSA-N 461.038 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)[nH]n1 1819552086 DPVUXZVLHCFZEC-LJQANCHMSA-N 476.593 5.465 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)no2)n[nH]1 1819796526 YKERZWORTZLVEH-KNQAVFIVSA-N 459.550 5.139 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)C4(C#N)CCC4)[nH]n3)ccc21 1820225741 QQPYKXFOTIZNIL-RUZDIDTESA-N 494.599 5.537 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)[nH]n2)cc1 1820553615 HVFIMMNBPMJZQV-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc3cccnc3cc2F)n[nH]1 1820839014 KAORMPCTJLOGSZ-GBXCKJPGSA-N 475.568 5.100 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)n[nH]2)C1 1821235818 ULAXCRGWIHXJBO-XMMPIXPASA-N 480.572 5.225 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)c1 1821322791 SWWOMRGRNGYZCV-SANMLTNESA-N 477.568 5.292 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)c1 1821325050 NWFNJIVGORYKRJ-OAQYLSRUSA-N 481.478 5.228 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(O)c3cc2OC)n[nH]1 1821500032 UGZZQZIHNNVOLV-AUSIDOKSSA-N 488.588 5.351 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1821924439 BUCJAIHNSBHMDD-SCLBCKFNSA-N 479.806 5.344 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)[nH]n1 1821925913 CIFMXOVRGQHJAO-FCBIJRMHSA-N 485.426 5.180 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)CC1 1822103739 AFAMCZZBMCEZOI-PQNGQFLHSA-N 461.610 5.244 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc(O)cc1 1822469491 MMFKZXWSYKCAKI-FXCZLNNUSA-N 488.632 5.131 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1822576199 IGIQRYVISCIHQR-JOCHJYFZSA-N 471.001 5.108 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1)n1cccc1 1823212182 LTHGZKFXIVJXLJ-WDJPJFJCSA-N 472.593 5.186 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)C1 1823701396 JFEYGIOJQIKOGY-FQEVSTJZSA-N 453.385 5.332 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1823753596 UZYPMPSSPZZIEM-XZOQPEGZSA-N 491.717 5.292 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1823926233 SORHFYVHZXGCQQ-QHCPKHFHSA-N 467.972 5.206 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1823946809 AEOJXZSEQRTNEL-RUZDIDTESA-N 494.035 5.223 30 20 JKED CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1824052554 LRXDBAPURSDLFR-WUFINQPMSA-N 471.645 5.304 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1824053410 XALYFXBHZNBINR-QFIPXVFZSA-N 491.682 5.701 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)cn2)CC1)c1ccccc1 1825212957 PMFGQXOFLIFVAO-WDYNHAJCSA-N 485.672 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1825566061 FPIAMXJGPLFYGQ-OAQYLSRUSA-N 477.093 5.517 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnccc3C(F)(F)F)CC2)c1 1825892422 FRNZWUOLLAFQNT-MHECFPHRSA-N 498.549 5.275 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(Cl)c2)CC1)c1ccccc1 1825938446 IINDHNHWGSRGED-LOSJGSFVSA-N 478.036 5.166 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826670611 CZYBJIFYGPUWFS-KRWDZBQOSA-N 482.440 5.420 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1827357358 ZJCDZYLBVXILNY-UQBPGWFLSA-N 481.587 5.472 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1Cl 1827681643 NMDBYAVVAKEYDZ-DGSRBQDKSA-N 485.049 5.382 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166906 UWONHAIKHXYXMX-GOSISDBHSA-N 458.027 5.338 30 20 JKED Cc1nc2ccncc2cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1828537059 FFYUVHRVANPNJL-MMTVBGGISA-N 495.627 5.112 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1 1829066350 CJAZIBHEYMJQHJ-JOCHJYFZSA-N 471.045 5.213 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829409856 BSRAQOQLWIKSSC-DNVCBOLYSA-N 471.951 5.199 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1Cl 1829689484 GUCGPQVRNMIRDG-RUZDIDTESA-N 489.019 5.169 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)c1Cl 1829690062 IPBIMUOAXKULEC-HSZRJFAPSA-N 474.992 5.240 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)c1 1829781239 GAYUWBCDCZTSHS-NRFANRHFSA-N 492.929 5.106 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1830012782 CUISCDWJRHOWNE-NDEPHWFRSA-N 465.597 5.187 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830015116 IWADMASOGGVXRP-QHCPKHFHSA-N 469.507 5.124 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)CC2)cc1C#N 1830092896 UJVKBPORRSBGOC-RUZDIDTESA-N 495.570 5.171 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1Cl 1830471199 GEUARINFFXXCAE-GGAORHGYSA-N 481.102 5.315 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc1 1830628360 GFBRFAUFGMGVAB-DEOSSOPVSA-N 475.658 5.240 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC[C@@H]3CNc4ccccc4C3)CC2)c1 1830768487 XJBQBXNRFDFUQO-MUAVYFROSA-N 498.671 5.165 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1830780233 LMSVUBWOLJLRMR-FTJBHMTQSA-N 493.648 5.035 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1830994987 KZIZEEQOUJAART-DEOSSOPVSA-N 474.992 5.240 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831297780 PTAYTVSZNFGRKQ-HSZRJFAPSA-N 462.556 5.061 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1831855943 JOGJQVTXMLQCNF-IBGZPJMESA-N 473.828 5.221 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1)C(F)(F)F 1832706527 LBVLOXDIFYHUHN-SFHVURJKSA-N 480.424 5.196 30 20 JKED C=CCC(=O)N1CCC(N2CCC(NC(=O)c3ccccc3Oc3cccc4ccccc34)CC2)CC1 1836472806 BIRDNMZTTYUNAL-UHFFFAOYSA-N 497.639 5.393 30 20 JKED O=C(O)c1ccccc1/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1857777143 VIQAJOVQSKBFHD-HOVHKQMYSA-N 454.751 6.725 30 20 JKED Cc1ccc(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(Cl)c1 9073460 CYOBXLRBAGWSNV-UHFFFAOYSA-N 450.947 5.608 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)C(=O)Nc1ccccc1C#N 11022109 ZWRVQNZDOZRRJO-HNNXBMFYSA-N 477.952 5.718 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1C(F)(F)F)[n+]1cccc(O)c1)c1cccc(Cl)c1 11156829 JQBDYRJPTOUGGJ-UHFFFAOYSA-O 451.877 5.403 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1cccc(Cl)c1 11158587 BWHYISKWWBNLDI-UHFFFAOYSA-O 452.770 5.691 30 20 JKED C[C@@H](OC(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12102167 NWHAFZPNHOQROA-OAHLLOKOSA-N 481.549 5.186 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3sc4ccccc4n23)n(C2CCCC2)c1C 12472649 IBOOYBQNUXLGQS-UHFFFAOYSA-N 450.593 5.080 30 20 JKED C=CCn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1ccc(Br)cc1 21927446 CCHKKHBJXRXHPV-UHFFFAOYSA-N 450.308 5.147 30 20 JKED CC(=O)N(c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1)c1c(C)cc(C)cc1C 22122509 HOQSNIVNVYVKFE-UHFFFAOYSA-N 462.644 6.109 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22729768 VVZSBPDQNVAZFM-UHFFFAOYSA-O 461.651 6.338 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)cc1 23464902 CBNJMPUMGWFQLE-UHFFFAOYSA-N 460.562 5.671 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1OC 28925337 KSSZKZJIMTYACJ-OAHLLOKOSA-N 459.384 5.222 30 20 JKED COc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OCc1cccnc1 32665485 OWRKZQRJZBDBBF-UHFFFAOYSA-N 465.509 5.372 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(C#N)cc1 33179057 KIIMRUFWSLBBBG-KVLZVTGASA-N 473.642 5.226 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 69627214 RZDKOKGLAIYFMF-QHCPKHFHSA-N 479.989 5.032 30 20 JKED C=CCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2scc(-c3ccc(C)cc3)c2c1=O 104468223 GNDVNZLHSUSPDA-UHFFFAOYSA-N 496.683 5.741 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)c2ccccc21 104517879 LJPILMGLMKOPPX-UHFFFAOYSA-N 498.656 5.156 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Oc2ccccc2)c1 106190826 IGBPFBORWVXBQN-UHFFFAOYSA-N 456.571 5.578 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3cc4c(s3)-c3ccccc3CC4)n2)n[nH]c1=S 115622733 MVZRYQCZDRFACT-UHFFFAOYSA-N 465.629 5.253 30 20 JKED O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(OC(F)F)cc1 198093342 HERMXEABKRAUAN-UHFFFAOYSA-N 457.273 5.121 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)COc3ccc(Br)cc3F)cc2)c1 303142360 DUXLIEBANNAZMP-UHFFFAOYSA-N 455.283 5.056 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 303373070 TUYKJVXSJSIVNB-LJQANCHMSA-N 469.610 6.809 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)O[C@@H](C)C2 409803520 CAGSJYPMIDTGGC-XPEQFSOGSA-N 481.552 5.275 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 482843571 SYWZBZMUGVLCSL-UHFFFAOYSA-N 456.483 5.159 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 497930770 VKQWHAKAKVUAKB-MRXNPFEDSA-N 492.571 5.415 30 20 JKED COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 500765060 FEODIBGSGDPGEL-UHFFFAOYSA-N 485.569 5.288 30 20 JKED CCc1nc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)nn1-c1c(Cl)cccc1Cl 501312505 PSRHFLQPRYFFOB-LLVKDONJSA-N 454.239 5.040 30 20 JKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502679842 NTCCLURUUNLALV-UHFFFAOYSA-N 481.556 5.002 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C 503190314 PCYFXTPQOFIKDV-UHFFFAOYSA-N 467.529 5.527 30 20 JKED C[C@@H](CC#N)N(C)C(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 505137937 WHAGQRDBHDBUFW-FQEVSTJZSA-N 496.032 5.105 30 20 JKED O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 505256272 YKKHETXTPFADIB-UHFFFAOYSA-N 462.365 5.354 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 508211981 VLAHSDOBDMXBRJ-KRWDZBQOSA-N 462.962 6.320 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513156514 UPBFNJBMRWDMID-IBGZPJMESA-N 469.488 5.630 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 515540100 COLPBNBWJCBJEG-KRWDZBQOSA-N 464.859 5.827 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2Cl)nnc1-c1ccc(Cl)cc1 515727346 KKSWLHFUUVWEGO-UHFFFAOYSA-N 476.389 5.127 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc2ccccc12 516279481 DLTPDYGAJSOVFS-DEOSSOPVSA-N 462.509 5.201 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c1 516540337 NSPXDNANMVLLPU-HSZRJFAPSA-N 482.584 5.523 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1Cl 518112920 SWFPUPQGYKOLIB-QHCPKHFHSA-N 495.970 5.126 30 20 JKED C=CCN(C(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1)c1nc(-c2ccccc2)cs1 518171562 ZZCKKTFUMUQWKI-UHFFFAOYSA-N 497.620 5.510 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 518178337 OORFSGDHEDDECP-UHFFFAOYSA-N 467.367 5.211 30 20 JKED C=CCN(C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 518255816 SLQLZTUFKUJRBX-HXUWFJFHSA-N 481.560 5.004 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)s2)cc1 518624923 UVDMPOYQONALIO-UHFFFAOYSA-N 473.004 5.183 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1ccncc1 518682988 CSNYLOBAGMXKAH-RBUKOAKNSA-N 476.602 5.804 30 20 JKED N#C[C@@H](C(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 518721062 IRKYUKBQXTVDFJ-QFIPXVFZSA-N 493.009 5.927 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 520178905 FSQVVDPVFIVCMI-UHFFFAOYSA-N 451.530 5.372 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C 521195275 SCEWBZUTMRXGMJ-QZTJIDSGSA-N 485.987 5.036 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 521743077 ZWLFABGUQYWQNQ-QFIPXVFZSA-N 465.525 5.009 30 20 JKED COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524422534 SQLRZPPHYNPNLB-UHFFFAOYSA-N 457.917 6.047 30 20 JKED CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524439224 MMNGAJJUPHPFBH-FQEVSTJZSA-N 463.921 5.094 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 557541244 KYHCCCHTMUFLDT-DYESRHJHSA-N 467.660 5.390 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OCc3ccncc3)cc2)cc1 579505047 DINICLZTJMLURV-UHFFFAOYSA-N 451.551 6.077 30 20 JKED N#Cc1cccc(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)c1 592995989 LVGIFDDFSBWDDE-UHFFFAOYSA-N 473.989 5.639 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1Cl 603759150 VEGNMGSWMJVTRB-GBXCKJPGSA-N 475.951 5.625 30 20 JKED N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2c(c1-c1ccco1)CCC2 603818613 UBOBBWYCFXSEHY-UHFFFAOYSA-N 477.895 6.105 30 20 JKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 604044231 FFDZAABXKJYSCG-OAHLLOKOSA-N 484.434 5.503 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3sc(C(=O)OCC)c(C)c3C#N)c12 604427191 RFQUTMNJPQWQSS-UHFFFAOYSA-N 464.503 5.106 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)n2)cc1 604456687 CLYBRAQZGCELMO-UHFFFAOYSA-N 454.486 5.371 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 608843243 LCTRLFURNGCTSY-UHFFFAOYSA-N 456.477 5.817 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 608876063 BZCAVODGZCOLCZ-VWLOTQADSA-N 462.509 5.164 30 20 JKED Cc1csc(Sc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c(C)c2)n1 609060143 TYUDKYBXDRYVLH-UHFFFAOYSA-N 461.568 6.207 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 609078855 QYHNASCDCCSDKX-DEOSSOPVSA-N 460.603 5.466 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)cc2F)c1 609103815 CEFSHVKYUMWJAJ-UHFFFAOYSA-N 493.485 5.045 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 609197994 COEDWQRGEYSJAI-GFCCVEGCSA-N 469.485 5.188 30 20 JKED COc1ccc([C@@H](NC(=O)NCc2ccc(C#N)cc2F)c2ccccc2)cc1Br 609252812 LTXGXBOHLYRENN-QFIPXVFZSA-N 468.326 5.057 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cccs2)cc1 609400264 UZPMACCOYRHFQV-MHECFPHRSA-N 477.655 5.797 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)CC2 609433947 RXBLSIUKRHVBOA-UHFFFAOYSA-N 457.530 5.738 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 610926623 VOKLVERWMSFTNE-AREMUKBSSA-N 451.526 5.034 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)c1ccc2c(c1)Cc1ccccc1-2 613997447 ZBBMXXHQDMJASP-UHFFFAOYSA-N 458.631 5.039 30 20 JKED O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618365699 KMDYDUZBEXZCSD-OKILXGFUSA-N 486.387 6.351 30 20 JKED CC(C)CN(CCc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093001 RVSYIDNSAUQGEI-VQFNDLOPSA-N 456.446 5.945 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 622332344 FINVOYDZQUUYGW-UHFFFAOYSA-N 480.399 5.739 30 20 JKED N#C[C@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(-c2ccc(Cl)cc2)cs1 622977896 ZMBXVPFZIYTTGU-OAHLLOKOSA-N 456.379 6.730 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)c2ccccc12 640548656 FDKLCMDTLOGCRS-UHFFFAOYSA-N 489.575 5.134 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sccc2NC(=O)c2ccncc2)cc1 725722741 WHOSLLZTFGOXSS-UHFFFAOYSA-N 470.510 5.320 30 20 JKED CCOc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)C(C)(C)O)c3C#N)C(C)(C)C2)cc1 725935756 YBKHPJRRVBGJIM-FPLPWBNLSA-N 494.613 5.049 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 726401606 UEMYKAZCDGPFCY-IERDGZPVSA-N 492.016 5.481 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2C2CC2)cc1Cl 726406693 LUAUOUPKAXWBOQ-SFHVURJKSA-N 492.910 5.353 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2cccc(C)n2)C1=O 726423496 ZTSZNCZTRWDCNC-YUGFFRFOSA-N 494.642 5.050 30 20 JKED COc1ccc(N2CCC(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)CC2)cc1 726713623 OGQUBCBLPUFIFI-UHFFFAOYSA-N 472.564 5.087 30 20 JKED C#Cc1cccc(N(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C(C)C)c1 728247218 UXNFGFBKSNAOOP-HKWRFOASSA-N 454.642 5.152 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2C#N)s1 728424743 HHBNPZDHNOHNSF-QHCPKHFHSA-N 499.621 5.214 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CCCCC#N)C2=O)c1 728778213 RUVAYZCKFIZHQE-OAQYLSRUSA-N 487.000 5.750 30 20 JKED C[C@H](CC#N)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1 728873960 GRUPHNVDJAFJDC-GOSISDBHSA-N 499.995 5.249 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3scnc3C)C2=O)c1 729145175 JJBAUPJOTMNUTA-FQEVSTJZSA-N 499.061 5.882 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 729566200 ZQMOZLGZCKEGCT-LJQANCHMSA-N 450.539 5.119 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)N[C@H](C)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1 729670116 MGAHZCCHYSWRLA-HXUWFJFHSA-O 499.612 5.234 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 729891021 VQEVKANFWLCOCM-NHCUHLMSSA-N 459.546 5.414 30 20 JKED COc1ccc(-c2ccc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(F)c2)c(F)c1 730472216 BVPKWDUAVZDJSC-CHWSQXEVSA-N 481.383 6.280 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(SC(F)F)cc1 730687484 XPEWLWSQSKZUPP-CQSZACIVSA-N 465.934 5.545 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CCc1ccc(Cl)cc1Cl 731070531 NJEGJAVCDVXYBN-CQSZACIVSA-N 451.375 5.360 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 731288806 XGXQSGXECOQLMS-GPUNBKOYSA-N 473.642 5.340 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C(C)C)cc2)n1 731309084 SKTKYAAZBSSQPJ-XMMPIXPASA-N 488.613 5.380 30 20 JKED CCOC(=O)CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 743526189 TXFSNCHIEAQXTO-JOCHJYFZSA-N 499.608 5.055 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744997888 XHCQURGSJDHLPM-FQEVSTJZSA-N 499.423 5.342 30 20 JKED C[C@H](Oc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1)C(=O)O 745022155 XTEMZVYVJKPZQM-SHQCLWGWSA-N 484.335 5.994 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc(OC)c1OC 750574751 HPUVUGVTIQXRQU-QHCPKHFHSA-N 461.562 5.238 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 799213384 RDNMTTHLUBMPFH-HNNXBMFYSA-N 476.307 5.516 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nc2sc(C)c(C)c2c1=O 802507875 QTBSGSVGPZLGMA-GOSISDBHSA-N 482.675 5.370 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N([C@H](C)c2ccccn2)C1=O 837285268 MFMQURLONFZQSX-XXBNENTESA-N 488.613 5.429 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccccn1 837325632 OVMMWVWBJBLWJG-OPAMFIHVSA-N 496.995 5.904 30 20 JKED C=CCN1C(=O)N[C@H](c2ccc(Cl)s2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839726701 VRNYHELPDXSRML-QGZVFWFLSA-N 455.889 5.585 30 20 JKED O=C(C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)N(O)Cc1cccc2ccccc12 901370467 IIQRXWRAHDISSB-UHFFFAOYSA-N 456.464 5.129 30 20 JKED C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[S@@](=O)Cc1c(F)c(F)c(F)c(F)c1F 914520649 HOJSWZMEDVZYKG-SPUJZFFCSA-N 479.776 5.330 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 914549264 ALYVPOSBUJEARW-DVECYGJZSA-N 472.614 5.043 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1)C(C)C 914683681 XRBSNXATTIIJSO-UHFFFAOYSA-N 483.033 5.772 30 20 JKED CN(Cc1ccc(C#N)cc1)Cn1nc(Nc2ccc(OC(F)(F)F)cc2)sc1=S 914783185 LLPVDOKROOOYDE-UHFFFAOYSA-N 451.499 5.277 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C(F)(F)F 915084915 AMXXWSDZZMWXAD-OAQYLSRUSA-N 460.459 6.107 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@H](C#N)c1nc2ccccc2n1C 915100588 WDBNBVXGFDDCOW-RDJZCZTQSA-N 499.621 5.449 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccs2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916137071 MDBOJFYFBYPWFI-ALCCZGGFSA-N 467.499 5.397 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c1 916693173 BKGWQAMSDUECLJ-JIQALNGASA-N 497.020 5.064 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 916898878 FJFCSEDLOIFAGZ-DQEYMECFSA-N 467.569 5.020 30 20 JKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 916907227 XDMKYDQQUISSPG-GOSISDBHSA-N 464.905 5.501 30 20 JKED N#C[C@@H](C(=O)CCc1ccccc1Br)C(=O)Nc1ccccc1Oc1ccccc1 916910575 TVKWFSLFBJTSHN-IBGZPJMESA-N 463.331 5.522 30 20 JKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2C)cc1 916911849 YAPRDJHWNOQIOZ-QFIPXVFZSA-N 450.498 5.243 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)COc1ccc(Cl)cc1C1CCCCC1 916924241 ABNSUIORDCMHKY-HXUWFJFHSA-N 454.954 5.513 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)C2)c1 917046323 JCYBADADTHKNRQ-VQIMIIECSA-N 451.979 5.295 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)n2)cc1 920143571 RMAAWMANEBDQHK-GMAHTHKFSA-N 475.570 5.186 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(C2CC2)C1=O)Nc1ccccc1Br 920173094 OTNLHEYSXPWHGG-HXUWFJFHSA-N 484.419 5.061 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2C)no1 920353737 RGFFPGULJNKLRE-DEOSSOPVSA-N 484.581 5.605 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)cc1 920354589 DBGFXYIVOOEFQP-JOCHJYFZSA-N 498.555 5.293 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 920371970 QIEHKYBRMZTWBC-UHFFFAOYSA-N 488.491 5.706 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(NC(=O)CCC)c(C)c4)CCC3)cc2)C1 1785808722 YQZKNBZDZDGMDE-UHFFFAOYSA-N 459.590 5.448 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccoc5c4)CCC3)cc2)c(O)n1 1787173374 MDTZPYGNQKYPAG-UHFFFAOYSA-N 482.540 5.109 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)s1 1787335675 ZPCKHODOYWEANM-UHFFFAOYSA-N 467.711 5.559 30 20 JKED Cc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1787425257 LEOVVGRZKUEGOC-UHFFFAOYSA-N 474.586 5.172 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CNc5ccccc54)cc3)CCC2)c1 1788049203 RZSHKJPFNSXGBR-DFBJGRDBSA-N 464.569 5.271 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnn4c(-c5cccs5)ccnc34)cc2)CCC1 1788499967 ZWZHTZJWTKHTCZ-GOSISDBHSA-N 485.613 5.418 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3ccc4ncccc4c3)CCC2)cc1 1788649811 WNFZQZXOWGKHMY-OUKQBFOZSA-N 495.604 5.412 30 20 JKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(F)c(C#N)c5)CCC4)cc3)ccc2n1 1789034612 NXSMXALSTZTPJL-UHFFFAOYSA-N 492.554 5.544 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CNc4ccc(F)cc4)CCC3)cc2)c1Cl 1790081646 ILTRCHNTANTDIY-UHFFFAOYSA-N 476.939 5.211 30 20 JKED CCSc1cccnc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1790207110 GBAVGXFMGZTNBM-UHFFFAOYSA-N 470.598 5.056 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(O)c3)cc2)CCC1 1790672280 NTJBVENJGOIWHD-UHFFFAOYSA-N 469.379 5.096 30 20 JKED COc1ccc(OC)c(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790706255 SRRWCMWOLYBBHG-UHFFFAOYSA-N 497.595 5.150 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCCC4(F)F)CCC3)cc2)c1 1790761805 CSKWEEJIXFCMMX-FQEVSTJZSA-N 455.480 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ccnn5c4)cc3)CCC2)c1 1790936324 JHMBYHLDNHCJGW-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)CCC2)cc1 1791243283 JMHKKUDZWPKFFT-FCHUYYIVSA-N 473.617 5.003 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CN(C(=O)OC(C)(C)C)C3CCCC3)CCC2)cc1 1791248061 PTKBSOXYTDRGDB-FQEVSTJZSA-N 483.653 5.512 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)cc3)CCC2)c(C#N)c1 1791534003 PYSAFGOEBAWMFQ-KAYWLYCHSA-N 479.580 5.047 30 20 JKED COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)C1 1791564336 ZGVNIBMJYJMYKH-IEIRFRATSA-N 487.600 5.041 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)F)no4)CCC3)cc2)c1 1792124004 XOHKLBBLLHMXGU-HNNXBMFYSA-N 464.472 5.301 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc([C@@H](C)C(F)(F)F)cc1)C2 1798337858 JPSMSVBFVDPZIY-PHNZBSFLSA-N 462.556 5.302 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)C2)c1ccccc1 1798555103 OZTGXTKRYIGPES-CLOKHNFSSA-N 495.667 5.200 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC(F)(F)F)cc1Cl 1799250661 IVQXQFBLEGVHDH-SFNKJDCFSA-N 484.946 5.301 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cccc(Br)c2n1 1800915215 FJFZUNMUQXBDAI-YRPNKDGESA-N 482.422 5.018 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2cc(Br)ccc2c1 1801017707 QIWWPOSDYHRMLI-LRSLUSHPSA-N 482.422 5.018 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)[C@H]1c1cccnc1 1802501943 DHOJDNRUANBGOG-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccnc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1804855205 SPAGNKPFLWCFDS-VWNXMTODSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1810500393 OVSDHMNBVLUPAG-NLFFAJNJSA-N 493.051 5.837 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccccc3)CCC2)[C@H]1c1cccnc1 1810503485 RPEPLPPFYFEBAF-NOZRDPDXSA-N 459.634 5.202 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)[nH]c12 1811420720 WFYUYRZXIAZVCP-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c(OC)c(C)c2)[C@H]1c1cccnc1 1811550229 YRJRYVUPPHOYCI-LADGPHEKSA-N 463.622 5.019 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cc(C#N)ccc4F)[C@H]3c3cccnc3)sc2c1 1811730745 XJUXJXQXFSMUGQ-HFZDXXHNSA-N 498.583 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1812439922 QBUCXLKRVKEFHE-ICLZECGLSA-N 478.036 5.239 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813954158 XLABRUQOYXCVRF-FQLXRVMXSA-N 479.624 5.837 30 20 JKED CC1=CC[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC3)CC1 1818627446 ARLQRURNXMJRPD-CRAIPNDOSA-N 488.535 5.006 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3Cl)n[nH]2)c1 1818745234 JXYYRZHGMBOQCI-HSZRJFAPSA-N 486.963 5.344 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)[nH]n1 1819305298 HRSOOVPEHOMTPL-AVRDEDQJSA-N 478.984 5.081 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091473 IMOYUUKEBGRVTL-NZQKXSOJSA-N 497.599 6.225 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2Cl)n[nH]1 1820188089 WLSQMXJNMHCLJP-IBGZPJMESA-N 478.927 5.164 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1820977784 YCWSYJAPCLTVGH-YADARESESA-N 473.577 5.184 30 20 JKED C[C@@H](c1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)cc1)C(F)(F)F 1821787935 FOLBYWVKCULHEQ-OXJNMPFZSA-N 487.526 5.004 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(-c4nccs4)noc3c2)[nH]n1 1821920480 IJGDNTDQLPFNCS-BEFAXECRSA-N 490.589 5.193 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[nH]n1 1822583421 MPBAXUSQBRWYBT-OAQYLSRUSA-N 486.538 5.346 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(F)(F)F)[nH]n2)c1 1823211194 KGROZHDUEUHOKP-YCRPNKLZSA-N 496.493 5.070 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)cc2c1 1823214132 AJDSCIILFYCSFZ-HXOBKFHXSA-N 497.555 5.411 30 20 JKED Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823217496 LDOJNUNKPRXMEO-NTKDMRAZSA-N 455.562 5.273 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(NC(C)=O)ccc2Cl)n[nH]1 1823328348 VGMZABFIGQWLCW-PGRDOPGGSA-N 484.000 5.096 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4sccc4s2)CC3)cc1 1823497306 DKHZHMLQYHGJEI-OAHLLOKOSA-N 478.624 5.025 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824054525 XKKKRQDZDUKMDC-MHZLTWQESA-N 487.644 5.050 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824208277 LOFMDBSQKROIFR-XZOQPEGZSA-N 489.701 5.068 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1C 1824803843 ZUTKCSSFXPNESY-DEOSSOPVSA-N 494.035 5.005 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1825208895 IFRKUUITFGETDR-HFZDXXHNSA-N 477.674 5.550 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCCCC3)CC2)cc1C#N 1826284940 ULXROPBUBNPYEC-RUZDIDTESA-N 465.638 5.159 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(-c5ccccc5)ccn4n3)CC2)C1 1827385432 JQTHJYAJMKVYPU-NDEPHWFRSA-N 482.628 5.201 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)ccc2[nH]1 1827683958 SAUIABDJYOLNRF-GTCGAKFVSA-N 489.641 5.210 30 20 JKED CCc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc(C)n1 1827927484 ACESXRBOZACJPO-DCFHFQCYSA-N 472.633 5.127 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c(Cl)c1 1828256760 BKRPTJJKHAYVSF-DEOSSOPVSA-N 475.976 5.505 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@@H](S)C(C)C)CC3)cc2n1 1828495559 KNDGFCDEFAHMIT-ZEQRLZLVSA-N 488.097 5.384 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1 1828672868 KWYHWYXMYUCXIZ-GMAHTHKFSA-N 451.636 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1828828506 LCRFKHATMANMGS-XNMGPUDCSA-N 471.645 5.750 30 20 JKED CN(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c2ccccc12 1830015004 OBUSMNVBZXGLCR-NDEPHWFRSA-N 494.639 5.325 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCCCC2)CC1 1830358870 QPSIQRMVEZZWGH-BJKOFHAPSA-N 489.701 5.046 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830536415 IDFSGIDWSJYJGQ-FQEVSTJZSA-N 489.003 5.511 30 20 JKED O=C(CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601927 MRXNHKHSGCKXBT-MUUNZHRXSA-N 454.614 5.120 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1830626950 DKQUZXVGFLUAKI-FOJYNEPKSA-N 489.582 5.355 30 20 JKED Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)c1 1830801986 CFPCAIOMZKDZBX-QHCPKHFHSA-N 496.652 5.125 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060747 SAVVBHLHLXWSMH-VGOFRKELSA-N 450.604 5.138 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2F)CC1)c1ccc(O)cc1 1831926503 SWZOJHLUPQBSKB-AMGIVPHBSA-N 494.582 5.101 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cnc3Cl)CC2)c1 1832632476 RRDIDJJUKDMMSE-GAJHUEQPSA-N 482.987 5.048 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccccc2C#N)CC1)c1ccc(Cl)cc1 1832792460 IBBLCRALHWRLHR-CJFMBICVSA-N 494.035 5.014 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1832828439 CKPRMAXDYPMQDK-XMMPIXPASA-N 455.042 5.185 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)CC1 1836749986 XZMAICIXJNFVKO-UHFFFAOYSA-N 499.095 5.416 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1841319612 LLXSPFSDHACTEY-UHFFFAOYSA-N 455.602 5.400 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C3)c(Cl)c1 1845489385 NXWHHOCOJHOYRX-UHFFFAOYSA-N 482.289 5.015 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179224 RSQYRUJUQDSIBG-UHFFFAOYSA-O 475.465 6.240 30 20 JKED C[C@@H](OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12271149 ZUGUDPDFUNIXAE-CQSZACIVSA-N 499.539 5.325 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872483 YIUXVYBGOSJLRK-UHFFFAOYSA-O 493.624 6.147 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 16171716 URRVIPURLXWSBG-RUZDIDTESA-N 469.516 5.174 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nc2sc(-c3ccccc3)c(C)c2c1=O 18541122 PITSDDIKYAFXPZ-HNNXBMFYSA-N 497.592 6.017 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)cc1 20066996 GDFLWTYVMCMGIR-UHFFFAOYSA-N 489.988 5.297 30 20 JKED COc1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccccc1 24507552 WGGRKEDESLUFTE-UHFFFAOYSA-N 469.459 5.083 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28648957 AAOAALCRDIVWGV-UHFFFAOYSA-O 467.998 5.402 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2C)nnc1-c1ccc(Cl)cc1Cl 29156157 SMATVQOLCYGTHP-UHFFFAOYSA-N 491.400 5.264 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2cccc(Oc3ccccc3)c2)CC1 32362807 INDNKNWKZUVUQP-UHFFFAOYSA-N 468.513 5.131 30 20 JKED COc1ccc2cc([C@H](C)C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)ccc2c1 72003807 NHAQEMGVUPZWNW-HNNXBMFYSA-N 460.584 5.606 30 20 JKED COc1cc(/C=C\C(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)ccc1OCC#N 96557100 TWXHASDEMZMMRW-BENRWUELSA-N 475.957 6.239 30 20 JKED Cc1cccc(Cc2cnc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)s2)c1Cl 110895028 HUCIVOQCTADVNP-UHFFFAOYSA-N 466.994 5.361 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1OCC 195662285 KENFGHYMRXBADS-INIZCTEOSA-N 486.391 5.184 30 20 JKED CS(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 195721280 AKCNRMZMQHRRNX-HSZRJFAPSA-N 482.989 5.197 30 20 JKED COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 210276326 BUAFOEOJMKSFNS-ATVHPVEESA-N 481.907 5.554 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccc2ccccc12 255952107 WNKDYRBZAMNPEF-IBGZPJMESA-N 465.578 5.933 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 302978233 PIKIDVWBZHEMOE-VPUSJEBWSA-N 451.570 5.606 30 20 JKED CN1CCC2(CC1)C[C@H](NC(=O)c1cccc(Oc3ccc(C#N)cc3)c1)c1ccccc1O2 484736227 ZVYQRALCIABGBZ-VWLOTQADSA-N 453.542 5.069 30 20 JKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)n2)cc1 487417701 GDXNCEOJTDQINC-UHFFFAOYSA-N 457.559 5.350 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 501126842 FFXHTKMXJXFDDR-AWEZNQCLSA-N 471.945 5.739 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](CN3CCCC3)c3ccccc3)c2)cc1 501828067 OZWWEYCNJYTOIZ-HHHXNRCGSA-N 454.574 5.290 30 20 JKED CC[C@H](C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccccc1 504313020 DJQLLPZDVCUMGE-RBUKOAKNSA-N 463.607 5.352 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 509563807 JANSLBGCGIOFDY-UHFFFAOYSA-N 476.455 5.128 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 510271035 OJRLWPFSKFSDNB-CQSZACIVSA-N 484.375 5.240 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3c[nH]c4c(CC)cccc34)CC2)cc1 511003222 UQDWSHUMRYDVBA-UHFFFAOYSA-N 470.617 5.956 30 20 JKED Cc1ccc(-n2nnc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2C)cc1 512197106 RXRMZAZFKLLHIZ-QHCPKHFHSA-N 455.949 5.374 30 20 JKED C=CCN(C(=O)c1sccc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514428446 WLLYBFOSOPIBGJ-UHFFFAOYSA-N 450.339 5.375 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(NCCc3cccs3)s2)sc2c1CCCCC2 514878893 KBRZIDLRDQNETN-UHFFFAOYSA-N 475.690 5.187 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)s3)n2)cc1 516270462 ZMNXBXQCCUHMFM-INIZCTEOSA-N 468.588 6.510 30 20 JKED CC(C)N1CCN(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)CC1 517461972 WIDZVZNEDYDFDP-UHFFFAOYSA-N 476.568 5.494 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 517531342 BJURUVKDHJVCFO-UHFFFAOYSA-N 470.529 5.242 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 517533381 SYRHVDCUNYSRJY-ZHRRBRCNSA-N 456.011 5.720 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)n2)cc1 517800955 RYWQYLXYKJQNTB-QGZVFWFLSA-N 474.343 5.324 30 20 JKED Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(-c2ccccc2Cl)n1 518719801 IBILCVPRIYKYSP-CYBMUJFWSA-N 454.889 5.632 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1)c1ccccc1 519449370 BHXJZANLGVFSKO-KNQAVFIVSA-N 464.635 5.245 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1OC 519515765 VQAHXHGGZJYFLZ-OAHLLOKOSA-N 453.589 5.403 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 519944493 OSFDBDUKAFPCKA-UHFFFAOYSA-N 453.458 5.417 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 520190551 YOIOXTFABYXGBO-QMHKHESXSA-N 481.980 5.718 30 20 JKED N#CCCn1cc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 520496767 HXXIUVIEODTXLZ-VWLOTQADSA-N 477.524 5.160 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccccc2SC[C@H](C)C#N)cc1 520835914 ZBPSJSIRANEZRT-MOPGFXCFSA-N 488.613 5.638 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)c1 523284424 KOWLNWGLISNMEZ-UHFFFAOYSA-N 497.938 5.725 30 20 JKED C=CCn1c(SCC(=O)c2cc3c(cc2F)NC(=O)CC3)nnc1-c1ccc(C(C)(C)C)cc1 524289308 MLXCLZHRMLVKSH-UHFFFAOYSA-N 478.593 5.427 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cn4cc(Cl)ccc4n3)cc2Cl)c1 524441331 BWABNGJKCQNSDB-UHFFFAOYSA-N 466.328 5.413 30 20 JKED N#Cc1ccccc1COc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 553639657 NNEKRRXVGWGVMN-UHFFFAOYSA-N 471.564 5.675 30 20 JKED N#C[C@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc(-c2c(F)cccc2F)cs1 589244828 LVAWUSWLXOOICS-CQSZACIVSA-N 455.486 5.765 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]1c1ccccc1Cl 603998278 VEGRAFPBSJXBAJ-GOSISDBHSA-N 463.759 5.115 30 20 JKED COc1cc([C@H](C)NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OCc1ccccc1 604128956 FALRAKIRYAQNGD-QHCPKHFHSA-N 498.627 5.124 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 609073568 MSXVERSMWYYQSJ-UHFFFAOYSA-N 475.573 6.554 30 20 JKED CCN1C[C@@H](CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)Oc2ccccc21 609078529 WQJQSIJCNOOXJN-XMMPIXPASA-N 470.573 5.197 30 20 JKED N#Cc1c(NC(=O)CCCCCC(=O)Nc2sc3c(c2C#N)CCCC3)sc2c1CCCC2 609227709 MCXZHDUHVFFKHP-UHFFFAOYSA-N 480.659 5.838 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609437879 ORGJJEXRHOILIO-UHFFFAOYSA-N 454.313 5.254 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCN(C(=O)c4cccc5ccccc45)C3)c2C#N)C1 609563046 IKVXRHJKFFDGAY-IEBWSBKVSA-N 457.599 5.389 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 613314164 AFHANXGXMXRVNX-GOSISDBHSA-N 487.537 5.471 30 20 JKED O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618554678 ATTPUVNQOVFXDC-ZENOOKHLSA-N 489.863 5.388 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)cc1 624883834 JSJAMRXGVVTDLW-MVNQZMKCSA-N 481.596 5.168 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2F)nnc1-c1ccc(Cl)cc1Cl 641900028 DSUMALOCVBPWKY-UHFFFAOYSA-N 494.379 5.266 30 20 JKED N#C[C@H](C(=O)c1occc1CS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 642282015 CKAIGYCFTGGMJJ-MRXNPFEDSA-N 490.484 5.372 30 20 JKED CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726074046 KIRGIYQJFZINIM-DEOSSOPVSA-N 462.391 6.547 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 726321434 GZXKSOIBKPGYBK-KITAHSCOSA-N 484.065 6.285 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 726393006 LTNZZYIWNVHXIB-SBUREZEXSA-N 479.577 5.364 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC2CCC2)c1 726396441 JNNHWNXSXWDMHQ-QHCPKHFHSA-N 481.618 5.081 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 726573389 BQBVWSRTNVSHQJ-UHFFFAOYSA-O 489.664 6.795 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3Cl)s2)c([N+](=O)[O-])cc1OCC(=O)O 730433183 DJSYEBXHMVJFPF-SREVYHEPSA-N 473.890 5.345 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CCC2)C1=O 730460274 WMVBOLSMQXUYOV-IBGZPJMESA-N 478.401 5.515 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccc1F 730494147 ROZFTKQUQVAMHT-UHFFFAOYSA-N 461.493 5.876 30 20 JKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCCC2=O)cc1 730577893 DTULRWLTPPSGSB-MLPAPPSSSA-N 479.363 6.269 30 20 JKED N#CCCN(C(=O)COC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccccc1 730612306 XYBBKNFTLWKUNO-DEOSSOPVSA-N 466.896 5.089 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccc(SC(F)F)cc1 730685056 AEEKRHCULMUSOF-CQSZACIVSA-N 499.486 5.910 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1 730691565 KGIVUHIXSGONJP-MGPUTAFESA-N 458.898 5.109 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 730727193 NXYKEWNYIHKGLO-HSZRJFAPSA-N 498.612 5.242 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1[C@@H](C)c1cccnc1 730942471 QERAWOGDBADHRU-FDDCHVKYSA-N 493.032 6.073 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1-c1ccccc1 730945340 QIQJUWQTFYKEHY-UUOWRZLLSA-N 470.598 5.110 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 731067482 VYNYQWZEULIGBU-IBGZPJMESA-N 497.580 5.124 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1cc2ccccc2[nH]1 746697754 LDMDFQZNCQILAQ-RUZDIDTESA-N 498.608 5.015 30 20 JKED COc1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)ccc1S(C)(=O)=O 747061696 MIBGKGMZYSLVRR-QBFSEMIESA-N 492.984 5.501 30 20 JKED COc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1OCCCC#N 747361685 WHBDKBVOSQJANG-GHRIWEEISA-N 454.939 5.218 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)c1 747603358 QOLGHQXOTBIQEU-FQEVSTJZSA-N 482.606 5.048 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)Cc2csc(Br)c2)c1=S 747789174 YTQHGHFOPHMXDR-KRWDZBQOSA-N 493.452 5.026 30 20 JKED CCC(C)(C)C1C/C(=C\c2cnc3c(c2)c(C)nn3C)C(=O)/C(=C/c2cnc3c(c2)c(C)nn3C)C1 750899615 JMKLYMDCWOXCNQ-VGENTYGXSA-N 482.632 5.749 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 762906389 JORNTHGNUKACEJ-UHFFFAOYSA-N 465.481 5.161 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1 790256905 DIQBZNOOEHZUPS-UHFFFAOYSA-N 450.494 5.134 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 837285044 HNAFHFZMBYLQER-UQBPGWFLSA-N 480.593 5.956 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cccs2)C1=O 837703580 BNHXCVQSVXBROE-HXUWFJFHSA-N 486.018 5.571 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@H](C)c1cccnc1 838483708 BBGYMXHPINFBQR-WZONZLPQSA-N 474.586 5.120 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CC(F)(F)F)C1=O 838540424 HLDRGFGDISHVGP-MRXNPFEDSA-N 491.869 5.449 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@@H](C)C(=O)Nc4sc5c(c4C#N)CCC5)cc3)o2)cc1 857835655 RMBQHQAJAUCJPU-INIZCTEOSA-N 498.564 5.318 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)c(F)c1 883977359 DXSVXYCQAYEONY-ITGUQSILSA-N 468.438 6.205 30 20 JKED C=CCN(C(=O)c1nn(C)c(=O)c2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 887929274 QACPOEHNNYZRMY-UHFFFAOYSA-N 478.577 5.557 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1OC 899868755 XFMXVDLLDUAZST-LUAWRHEFSA-N 488.609 5.480 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914501746 LRUIWRODSDOASN-DEDYPNTBSA-N 469.657 5.038 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCC(C)C)c1 914555548 HVEDEVJUGVXOJY-QFIPXVFZSA-N 484.597 5.181 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)cc1 915087305 SBRLOLPUYRWSKT-IGYOPQFUSA-N 493.588 6.007 30 20 JKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104176 MOEYKTGTKYEPBT-YGRLFVJLSA-N 451.451 5.580 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)C[C@H]4CCCO4)c3C#N)C(C)(C)C2)o1 915564405 VZNQYTQEWURENF-QRBZPYHOSA-N 480.586 5.350 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc(OCc3ccccc3)cc2)cc1 915787831 IRQJWRAWBGDBTE-GDLZYMKVSA-N 489.575 5.218 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1F 916211562 PPJYQFLAYJVZBS-LJQANCHMSA-N 457.914 5.233 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C[C@@H]1CCCO1 916215951 LZJXBMTUIQEGGL-LADGPHEKSA-N 473.598 5.288 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1Cl 916252363 ITBKMXSFMCCFAN-XMMPIXPASA-N 472.976 5.553 30 20 JKED CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1OCC(=O)N(C)C 916680901 MPIFNXSRNJCNLS-JWQCQUIFSA-N 470.573 5.082 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 916900616 QUTOOUOOMFZKEI-IBGZPJMESA-N 491.016 6.135 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 916922938 KLVWNBBOCPCTJF-FQEVSTJZSA-N 478.932 5.287 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916927658 ALYMWPHECHEMQF-GOSISDBHSA-N 472.328 5.067 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916939817 UMXKUWWOWAKQRC-CQSZACIVSA-N 490.343 5.716 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)nc1C 916961567 UXZYAUABQZKVDV-NSHDSACASA-N 496.481 5.067 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(F)cc3Br)n2)cc1 916975313 XPHKMYCUHFVRIU-CJNGLKHVSA-N 459.340 5.664 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996392 LZIUKDZZWICPSX-ADQTWTKMSA-N 468.159 6.362 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2OCC)ccc1OCc1ccccc1 917030402 VPHUMHIMCMNKCA-UHFFFAOYSA-N 474.586 5.492 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccc(C)s2)C1=O 917664029 AYBVFLDLNWNWKP-QFIPXVFZSA-N 479.627 5.534 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)cn1 917675281 ITUFLDMQRIBUAL-JOCHJYFZSA-N 474.586 5.029 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2cccc(C)n2)C1=O 917687891 WWWAIHSRXUJPQJ-QHCPKHFHSA-N 492.576 5.007 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 917698901 LQGMRHAMYNLTAN-JOCHJYFZSA-N 483.540 5.115 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918306436 XAMWTDORWLVBME-DYESRHJHSA-N 454.555 5.110 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 918486350 AMAQQOBQVXNDJA-QFIPXVFZSA-N 490.357 5.225 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 920174687 DLGBKBQJBVZPSM-UUOWRZLLSA-N 470.598 5.292 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1 920205615 OJHFLSYZAMVXTE-LOSJGSFVSA-N 485.996 5.901 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C3SCCS3)c2)cc1[N+](=O)[O-] 920850243 ZNCCNWUHRTVKLY-UHFFFAOYSA-N 495.586 5.111 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCc4ccccc4[C@@H]3O)cc2)CCC1 1786173544 IPNGVFWBIIHJHP-AFESJLNVSA-N 458.602 5.185 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)c(O)n1 1787173337 ICFDNWIYXUSDQH-UHFFFAOYSA-N 465.937 5.214 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3cccc(C)c3)cc2)CCC1 1788359508 XWLUZFYXXKBPNI-UHFFFAOYSA-N 483.612 5.788 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789201331 XBOUXCHSNIDFSN-MHZLTWQESA-N 499.627 5.238 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C3\C(=O)Nc4ccccc43)CCC2)cc1 1789626271 ICYHRLNCJVAVJM-JWGURIENSA-N 457.574 5.149 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccnc5)[nH]n4)CCC3)cc2)c1Cl 1790083699 HGZRGDKQVJFBIB-UHFFFAOYSA-N 496.958 5.058 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3C#N)cc2)CCC1 1790471994 BFGWDTIQNLBFQY-UHFFFAOYSA-N 457.574 5.012 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4F)CCC3)cc2)cc1 1790703126 IEHZBBGITGFNAP-UHFFFAOYSA-N 462.912 5.002 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)C[C@H](C)Oc4ccccc4)cc3)CCC2)c1 1791146057 YXVUWYAPSNYERT-FQEVSTJZSA-N 483.568 5.172 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](CCC)NC(=O)OCc3ccccc3)CCC2)cc1 1791580423 BBJOPPGNUBNGIZ-VWLOTQADSA-N 489.616 5.019 30 20 JKED C[C@H](Sc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1791831861 MXUHVHNNACQKRN-HHNLSAEISA-N 491.638 5.197 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3CCC(NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1792211628 KJKGVDHVRNWCNU-UDTLNKQYSA-N 483.653 5.416 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)ccc4C(F)(F)F)CCC3)cc2)CCC1 1792234484 YAVXROBMZSZYOZ-UHFFFAOYSA-N 459.443 5.286 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(CC(C)C)oc2ccc(OC)cc12)C(F)(F)F 1796429854 GIVKLUCWBKRNBX-BJWYYQGGSA-N 478.511 5.010 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1C(F)(F)F)c1cccc(C(F)(F)F)c1F 1797019539 WDBYVZXLUWTVRW-ZSBIGDGJSA-N 478.364 5.022 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1800398037 RGRYEIODZVLMAP-REPLKXPHSA-N 488.403 5.429 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[C@H]1c1cccnc1 1802354884 KTCVIKWDLSLVOT-WIOPSUGQSA-N 472.589 5.049 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[C@H]2c2cccnc2)C1 1802414113 WUDKYAYCMLNPNO-ZBLYBZFDSA-N 480.568 5.109 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1802501929 UYKJXKTYMNJHET-XNMGPUDCSA-N 461.650 5.446 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1802503071 PSKHUARLKNDEGH-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1802503385 OAGYABVULGLWLS-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1803091423 NIRCLLRGLHBGKR-OZXSUGGESA-N 473.642 5.693 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)C1 1805459581 OTFKYDYTLKXVRQ-UHFFFAOYSA-N 450.623 5.089 30 20 JKED Cc1scc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1C 1806051245 QQAQTFORGMKYKN-DHLKQENFSA-N 481.738 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1809488859 HNJVNEUDBQXZDU-LGRSBPMCSA-N 469.585 5.315 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1810173156 SXVKJLNBEGWQOA-IECBHUPTSA-N 495.048 5.433 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1810503163 OQLRSWJDEOQNAJ-KSNOWIBYSA-N 458.606 5.021 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(F)c(Cl)c3)[C@H]2c2cccnc2)c1 1811787214 BQGJGFFDWVXLFJ-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)c(Cl)c2)[C@H]1c1cccnc1 1812590454 OKEKGTIGAVRMHZ-KLHJMIIUSA-N 490.829 5.029 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1812959196 NAWASVMCCHWILH-POURPWNDSA-N 473.661 5.256 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 1814361584 XCZPKRICKDYCPL-OAQYLSRUSA-N 461.566 5.363 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[nH]n1 1815249585 ZLYACRCBBGWOGE-LYLBAIIYSA-N 496.599 5.265 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)C4(C#N)CC4)n[nH]3)ccc21 1817111142 DSTIJYWGKCVMAM-DEOSSOPVSA-N 480.572 5.147 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3nn2)n[nH]1 1817933172 WMRWTYKVRLYIBP-NRFANRHFSA-N 481.000 5.305 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC(F)(F)C2)[nH]n1)c1ccccc1 1819515914 HFSLVRLDSXXQCS-URVUXULASA-N 468.548 5.034 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(Br)cc2C)n[nH]1 1820315355 AURJEUBRMMXHHE-IUODEOHRSA-N 465.417 5.060 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)[nH]n2)c1 1820484601 DKMPUNBAJPLGDN-XPNTWCBSSA-N 473.964 5.044 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)c(C#N)c2)n[nH]1)c1ccc(Cl)cc1 1820910602 MYBQOUAXIZCURI-MWTRTKDXSA-N 493.970 5.112 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cccc1C(F)(F)F 1821182517 ASZSJXZQAPBACX-QFIPXVFZSA-N 495.505 5.423 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2C)n[nH]1 1821336819 LJBRAYPFYWJXFH-GOSISDBHSA-N 467.422 5.250 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1821987371 ROXCBPUJWPMJNZ-FQEVSTJZSA-N 483.494 5.128 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n[nH]1)c1ccc(O)cc1 1822326173 OACFSJMGSLHYJK-ZFOJSEFRSA-N 496.611 5.108 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)ccc2Cl)n[nH]1 1823126252 AURIBCJYLHVWQD-NRFANRHFSA-N 456.974 5.146 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c1 1823135066 OCEIBRCCEDMWAY-XMMPIXPASA-N 453.546 5.087 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1823257708 UHBUNCMKYZZWBU-FQEVSTJZSA-N 498.370 5.216 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc1 1823683765 MMYHSNXAKNZVBW-HHHXNRCGSA-N 496.611 5.079 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 1824141038 QCVUIVVRHTVALD-NRFANRHFSA-N 463.544 5.102 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1824384639 DPROAMDCMRFFDL-WXVAWEFUSA-N 489.685 5.291 30 20 JKED O=C(Cc1ccc(F)c(C(F)(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826673628 UROUULNSYSODNI-IBGZPJMESA-N 496.467 5.349 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1)c1cccs1 1827682811 MYBMVGSZPXUYLM-IPLHWJFFSA-N 498.695 5.697 30 20 JKED Cc1cccc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827684134 WXQZALUEWNVHLR-LEQVUBRHSA-N 464.631 5.037 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991108 HTWIVSMLUYLOGR-HTAPYJJXSA-N 488.053 5.079 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1 1828827258 TZPYMECGOBHLMM-AZUAARDMSA-N 464.437 5.390 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccco2)CC1)c1ccccc1 1829029891 HNYUUJYJNPKRHU-HKZHYBCFSA-N 458.602 5.110 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829521418 WHHQFKMCGKWVRZ-DEOSSOPVSA-N 467.560 5.193 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829657142 KXYRWAOLEJGIKW-WOJBJXKFSA-N 489.028 5.129 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1)C(F)(F)F 1829906912 BFGQCYJSPFFEEX-HSZRJFAPSA-N 486.534 5.831 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)cc1 1830016102 APZJJAGNLKGKBQ-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830627729 LSBSQDDCFBRADJ-UCDYPZRHSA-N 461.631 5.151 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)[nH]c12 1830721288 BBZPBRVCSZKUFW-VWLOTQADSA-N 489.019 5.549 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3F)CC2)cc(C(F)(F)F)c1 1830755152 RSDMXSKLIZVMRG-HXUWFJFHSA-N 493.526 5.325 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830756769 VNCWUBAARSVAIY-XMMPIXPASA-N 499.533 5.133 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831031674 JYJCMSIXMMKFNC-IIBYNOLFSA-N 476.543 5.027 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1831445728 SNPRMISAMMSEJE-HSZRJFAPSA-N 489.994 5.641 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(-c4ccccc4)ccn3n2)CC1 1831849392 VKLYWVAHWSIFEU-NDEPHWFRSA-N 482.628 5.038 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1)c1ccc(O)cc1 1831922315 ZTTQAPKTTMOQOJ-LADGPHEKSA-N 492.582 5.242 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832635080 STPBYYDCUNBLOE-CUNXSJBXSA-N 457.618 5.098 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1832689012 AIJKUHGTYZYJNK-DEOSSOPVSA-N 468.638 5.014 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1)C(F)(F)F 1832713740 WWVRLSKEGQDJEY-SFHVURJKSA-N 480.424 5.196 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CC4CCC(C)(C)CC4)CC3)CC2)c1 1838653257 AWQITQINXRZROH-UHFFFAOYSA-N 479.665 5.085 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3ccc(Br)cc3s1)C2 1844202341 CWJBHHWHRTWXLY-SFHVURJKSA-N 473.436 5.249 30 20 JKED C=C(C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2)C(F)(F)F 1846015490 CWSGCYOERWIYPN-UHFFFAOYSA-N 480.486 5.568 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccc(CC)cc2)cc1 11251701 VDQLCLPPNLXCGK-UHFFFAOYSA-O 475.634 5.689 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(Br)c2)cc1 15247647 WIAQDVBOBWIIEC-UHFFFAOYSA-O 488.858 6.393 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nnc1-c1ccco1 23202028 ZFNYZKHULMPXLU-UHFFFAOYSA-N 465.604 5.774 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2sccc2C#N)c(C)c1 23537091 KHNZXXFJFQVMEX-UHFFFAOYSA-N 459.600 5.139 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)N[C@H](C)c4ccc(C#N)cc4)sc3[nH]2)c1 26128316 NNDYPCRGDSPJTQ-QGZVFWFLSA-N 488.638 5.565 30 20 JKED Cc1cccc(-c2nnc(S[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2Cc2ccco2)c1 26489812 XXNWWWSLNXORTQ-RXJRQCNISA-N 477.634 5.306 30 20 JKED O=C(/C(=C(/S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1 36275077 PUIQWXWEAIWWBH-UHFFFAOYSA-O 460.507 5.248 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)nnc1-c1ccco1 45643437 VZZCVEDKZIZHNH-UHFFFAOYSA-N 454.939 5.046 30 20 JKED COc1ccc(/C=C2/N=C(SCc3cccc(C#N)c3)N(c3cccc(OC)c3)C2=O)cc1 214071195 CWXCWKNDZQSPKA-ZVHZXABRSA-N 455.539 5.253 30 20 JKED Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1 216586245 AOGQSKRHDZECGD-UHFFFAOYSA-N 479.602 5.242 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1Cl 303044286 WXMYOQOIJKRLTA-QHCPKHFHSA-N 485.927 5.858 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nnc1-c1ccccc1OC 303051499 RTHZZXKQIOSYJO-UHFFFAOYSA-N 483.391 5.850 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cc2F)c1 481653568 FIOWQKXYQJQAFK-GJZUVCINSA-N 459.521 5.566 30 20 JKED CCCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)cc1Cl 498733295 ILNLSTMOSKTBKT-UHFFFAOYSA-N 483.912 5.075 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1cc(Cl)ccc1OCc1cccnc1 505893281 CHWCBPDTAVTIRH-UHFFFAOYSA-N 463.006 5.975 30 20 JKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 509592198 NBBJWMCWVUERCW-HSZRJFAPSA-N 462.937 6.346 30 20 JKED CSCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 510007393 UXYQMOBZDOQQFG-IRLDBZIGSA-N 491.020 5.654 30 20 JKED C[C@@H](NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(C#N)cc1 510641182 PLARBWPCMUCOTB-OAHLLOKOSA-N 467.451 6.104 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl 515672022 QOWFLSYFQQKUIK-UHFFFAOYSA-N 457.292 5.307 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2)c1 516426084 FEGMKEQFAKVZFI-UHFFFAOYSA-N 493.485 5.286 30 20 JKED CC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1OCC(=O)N1CCCC1 517532926 RYXJNOBRCYWFQO-CTNGQTDRSA-N 480.634 5.355 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)CC2)c1 517901381 ZXYNGDICVDELBK-UHFFFAOYSA-N 452.967 5.334 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1ccncc1 518682989 CSNYLOBAGMXKAH-RTBURBONSA-N 476.602 5.804 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)cc2)cc1 520562878 SKDXWTSCESDHGS-LJQANCHMSA-N 491.494 5.443 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2c[nH]c3ccccc23)cc1 520858132 OGMZLGBDMNMRIT-WMZHIEFXSA-N 484.625 6.382 30 20 JKED N#C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1cccc(Cl)c1Cl 521292726 YNLBBMVFMQACGX-MLGOLLRUSA-N 457.283 5.005 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 523189149 RMACPXDCJPLHMX-UHFFFAOYSA-N 475.539 5.297 30 20 JKED Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)o1 589519831 CBCGZUZCEANUBU-UHFFFAOYSA-N 461.522 5.194 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)c1nc(-c2ccccc2)cs1 593577855 ZSMWGAIQHWHDNC-QGZVFWFLSA-N 457.580 5.087 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CSc2nc(C)nc(C)c2C#N)cs1 600820373 SOVGIXVGHUYVSO-UHFFFAOYSA-N 463.510 5.417 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1Cl 603765963 GJGKKQIAFIFSAA-QHCPKHFHSA-N 459.933 5.361 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)sc2c1-c1ccccc1CC2 603991847 SYMKQOCMXHHWFT-UHFFFAOYSA-N 478.986 5.820 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 604085368 AERCKXZOANVGSV-UHFFFAOYSA-N 478.596 6.533 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)cc1Cl 604508321 XXQGLJLRYVMGFX-KRWDZBQOSA-N 472.759 5.557 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)cn2)c1 604533182 LRUGILRIJSLUBW-OAQYLSRUSA-N 479.334 5.113 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 608920643 WONNWCCNOYPERL-UHFFFAOYSA-N 481.556 5.404 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)c(F)c1 609055469 HDWRJEWXOQDAAW-UHFFFAOYSA-N 476.489 5.204 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)c1 609073474 IZGGZJLQCDUWJR-UHFFFAOYSA-N 454.530 5.020 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(COCC(F)(F)F)cc1 609078536 XCCFRKWKPSDZSK-UHFFFAOYSA-N 483.490 5.846 30 20 JKED Cc1sc2ncnc(SCC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2c1C 609171831 FKYZGRCHIXRYAA-NRFANRHFSA-N 474.611 5.360 30 20 JKED COc1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1OCc1ccc(Br)cc1 609191985 VHIVYDANLVXJNN-UHFFFAOYSA-N 459.384 5.439 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H]1c1ccc(OC)cc1 609377860 HHLZRTDUAOPFKB-NHZRIVAWSA-N 479.646 5.665 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(NC(=O)CC)ccc2C)nnc1-c1ccc(Cl)cc1 611867523 FHXLSODTUOMXEU-UHFFFAOYSA-N 469.998 5.172 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1ccc2ccccc2n1 613292241 DFIRWNAACSTANM-HXUWFJFHSA-N 471.358 5.552 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CNC(=O)c4cccs4)cc3)n2)cc1 613319120 PGLGXPCIATZIGD-FQEVSTJZSA-N 457.580 5.600 30 20 JKED CCc1nc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2nc1CC 613403095 CPWHRPQNYNTLGQ-AWEZNQCLSA-N 454.477 5.873 30 20 JKED CC(C)(C)n1ncc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C(F)(F)F 615707635 YCCNICZCGJUTMU-MYJAWHEDSA-N 453.349 5.296 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 641978657 KHOBWCCFBKACQI-AWEZNQCLSA-N 480.943 5.773 30 20 JKED Cc1ccc(NC(=O)C[C@H]2S/C(=N\CCc3ccccn3)N(Cc3ccc(Cl)s3)C2=O)cc1 726109160 NQWFHFOYPYCSQL-XFMXRJAISA-N 499.061 5.176 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](c2ccccc2)C2CC2)cn1 726113318 RIDNAKCZISNXFT-LADGPHEKSA-N 491.592 5.154 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2c(C)noc2C)c1 726411898 PDAQONUWDHMHAV-QFIPXVFZSA-N 492.988 5.087 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccn2)cc1 726414959 GRHWCOYUKWSPJP-QHCPKHFHSA-N 492.576 5.168 30 20 JKED COc1cc(C(C)=NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1SC(F)F 727062071 SLISZFIMNKWQGQ-UHFFFAOYSA-N 477.558 5.647 30 20 JKED COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 727102432 PVYYKSRAUUHYIC-NSOVKSMOSA-N 475.548 5.460 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728034661 FLYKSMOHYIEJSF-GOSISDBHSA-N 497.311 5.481 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCCCC#N)C2=O)c1 728776914 GQLNPTJAIGGMMT-OAQYLSRUSA-N 452.555 5.097 30 20 JKED C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 729168133 YMZBFHJHYGWABK-HNNXBMFYSA-N 495.601 5.030 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](c4ccccc4Br)C3)c2)cc1 729571522 XCIZVQHSXHNOEM-HSZRJFAPSA-N 478.346 5.718 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ncccc3C)C2=O)c1 729634833 VBGGBPXIYFTGNR-HSZRJFAPSA-N 493.032 5.821 30 20 JKED C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1(C#N)CCCCC1 729726497 GHSQUDKVCQMWRS-OAHLLOKOSA-N 473.356 5.112 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c1 730441816 BXEBAKCSBNNSQF-JOCHJYFZSA-N 498.555 5.081 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCc3c(C)noc3C)C2=O)cc1Cl 730443760 GLYRTVZSWOHYDH-QFIPXVFZSA-N 497.020 5.456 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1 730714785 WZUVDMTTZOBUED-DEOSSOPVSA-N 484.581 5.605 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2cocn2)C1=O 730717960 CZKWHJUNUIUMEN-JOCHJYFZSA-N 496.564 5.071 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730958111 NGZOSUZXPOJHTO-UHFFFAOYSA-N 477.751 5.752 30 20 JKED COc1cc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731074000 ITLQOZDJUBOWKE-MRXNPFEDSA-N 466.584 5.471 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3ccsc3)C2=O)cc1 743526964 XJALQJGKWPZOEO-JOCHJYFZSA-N 495.601 5.559 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cs1)c1ccc(F)cc1F 745998960 RIGHMHAFXNMPFV-WYMLVPIESA-N 466.553 7.050 30 20 JKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 746948200 ZAEWWIHTXCPTRK-FICVDOATSA-N 464.372 6.146 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCOC2CCCC2)cc1 747042636 GGVUCAYCVQZEAE-QHCPKHFHSA-N 483.609 5.444 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccccc1C#N 747259355 RMMCPAHBDGHFIP-LBPRGKRZSA-N 460.342 5.101 30 20 JKED COc1c(C)cnc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)c1C 747601909 JEEXBBIARCAXLT-QFIPXVFZSA-N 492.576 5.007 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 748482079 JVHNKQWBALSRKD-SFHVURJKSA-N 463.969 5.130 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1ccc(Cl)cc1 748583923 MAEMEMPAUXJCDN-QCDXTXTGSA-N 463.917 5.780 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 749047237 DUYCLXMHRAIASO-HNNXBMFYSA-N 487.919 5.074 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3n(C(C)C)c4ccccc4n23)n(Cc2ccccc2)c1C 762401420 GSLBNKJROLRVGQ-UHFFFAOYSA-N 497.628 5.334 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 791768241 CKTGIXVKQKGBCK-LQLGPEIZSA-N 473.598 5.383 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC(F)(F)F)cc1 799218907 IGTKQMCIKVZCGV-HNNXBMFYSA-N 490.334 5.824 30 20 JKED COc1ccccc1/C=C(/C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 827607881 DWLBHNFSJGXONO-GBDYGOOCSA-N 472.516 5.253 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cc(C)ccc2C)cn1 837452853 GKUQTOAOGCBUKA-QFIPXVFZSA-N 492.576 5.007 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 837713135 VHZNMKMWLGFGSS-BTYIYWSLSA-N 482.968 5.596 30 20 JKED COc1ccc(-c2nc(Cc3noc(-c4ccc(COc5ccccc5C#N)o4)n3)co2)cc1 904332311 BRSQVIYHKIPTCQ-UHFFFAOYSA-N 454.442 5.035 30 20 JKED COc1cc(C(=O)N2CCSC2=Nc2cccc(Cl)c2C)ccc1OCc1cscn1 914279923 GSEOGFYAOFKSTK-UHFFFAOYSA-N 474.007 5.569 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914545600 DWVOAJYJHQZTRN-IFMALSPDSA-N 485.556 5.040 30 20 JKED CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915087584 VTWBTARPDOXTIP-QCUWAZGASA-N 469.629 5.638 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 915104920 XGTKZJXXRZKMEQ-KRWDZBQOSA-N 452.486 5.373 30 20 JKED Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1C 915151279 VPZYVANVMZUOTF-UHFFFAOYSA-N 470.529 5.466 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1Cl 915656145 FWKJMXWINDQDCN-HSZRJFAPSA-N 490.968 5.815 30 20 JKED O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(Br)cc1Br 915983619 BDLUFUOPDXRLTL-FNORWQNLSA-N 450.155 5.626 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@H]2CCCO2)cc1 916207553 YZCDKFMQIHNITO-DENIHFKCSA-N 469.582 5.088 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccccn3)C2=O)cc1Cl 916207599 ZJJSNBPFBPTTJR-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NN=C(c2ccccc2)c2ccccc2)cs1 916263962 LRNDXOCEGMABSU-UHFFFAOYSA-N 492.526 6.718 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccco2)ccc1OCc1cccc(C(F)(F)F)c1 916318628 KWYISBVHGVZBRD-UHFFFAOYSA-N 474.464 5.315 30 20 JKED COc1ccccc1Nc1nc(Cl)c(C=Nn2c(S)nnc2-c2ccccc2F)s1 916542778 YSBIKFWFJSEQHO-UHFFFAOYSA-N 460.947 5.117 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1 916679433 OPBLIVGIMXRIAI-DHIUTWEWSA-N 497.473 5.667 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc2ccccc2s1 916846052 FWDZCHADRVVNJI-HNNXBMFYSA-N 454.374 5.601 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3NC(=O)c3cccs3)c2)cc1 917343724 CVJOJLGKPDIWEW-UHFFFAOYSA-N 467.550 5.898 30 20 JKED C=CCN(C(=O)c1cc2c(F)cccc2s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 917370500 SOHWGCCHSCUXMT-UHFFFAOYSA-N 472.588 5.400 30 20 JKED CCOc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(Cl)cc4)n3)oc12 917560113 QYWNBCVCOQLXTC-XFXZXTDPSA-N 466.946 6.522 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)c1 917665072 STGNFFIDFUIHLP-RQTOMXEWSA-N 490.673 5.199 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 917701976 SGKAHRDEYLAIGZ-AVRWGWEMSA-N 498.583 6.095 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c(=O)oc2c1 917803040 DYKKJSGMDCJCIK-UHFFFAOYSA-N 482.536 5.326 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cc1 918545386 PLSQCRYVZNJAOT-CZSVHLHGSA-N 498.649 5.047 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)OCC(=O)N(CCC#N)c3cccc(C)c3C)s2)cc1 919082629 GUJQZDBBUNSTAS-UHFFFAOYSA-N 477.586 5.238 30 20 JKED CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc(OCc2ccccc2C#N)c1 919982129 JQFDKTGKTHZQCT-UHFFFAOYSA-N 497.511 5.146 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920141793 RDICCXNEJGUHLZ-OAQYLSRUSA-N 469.595 5.453 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OCc4c(C)noc4C)cc3)n2)cc1 920142985 NZQLOYWLRUVPQJ-JOCHJYFZSA-N 473.554 5.422 30 20 JKED C#CCCOc1ccc([C@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 920388641 ASTVFQMNOKIXAI-XMMPIXPASA-N 497.517 5.497 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 920873147 NTPWCPORMKNTKI-FQEVSTJZSA-N 456.546 5.378 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC[C@H](C)N(C(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785808793 GGRVAQGTFLLDPU-VQTJNVASSA-N 481.637 5.122 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccn4)nc3)CCC2)cc1 1786102395 MGFVDBNUECYALB-UHFFFAOYSA-N 467.573 5.055 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(=C)CN3C(=O)OC(C)(C)C)CCC2)cc1 1786104334 NFECUGCQQLBWMI-DEOSSOPVSA-N 493.648 5.455 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786697128 BEVPVLMEMANYIU-LJQANCHMSA-N 470.997 5.224 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4Cl)cc3)CCC2)c1 1788480017 GSHIFOQSYOMHSI-QGZVFWFLSA-N 497.986 5.856 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)CCC2)cc1 1789455964 HEWBXIIMBQOFMB-JOCHJYFZSA-N 477.561 5.048 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)CCC1 1789869133 HCHYJYBJMCREEF-UHFFFAOYSA-N 483.943 5.421 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)CCC1 1789870194 XLUALOSCMJJOPA-AWEZNQCLSA-N 496.917 5.302 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccccc34)CCC2)cc1 1790564561 GWTOCSCQMCOWGC-LJQANCHMSA-N 460.578 5.036 30 20 JKED C#CC(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccc(OCc5ccccc5)cc34)CCC2)cc1 1791205146 KRYNORVTNGEOOV-UHFFFAOYSA-N 477.564 5.057 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1)C(F)(F)F 1791303137 LYYMDOOIDLYISR-VAWYXSNFSA-N 454.448 5.699 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791406893 FVDDTSHWTFWLER-MHZLTWQESA-N 499.627 5.053 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791590130 QOXTWWVPOVNFOK-UHFFFAOYSA-N 469.626 5.124 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn(C)nc4C(F)(F)F)CCC3)cc2)c1 1792125382 XVXGGCCKJSRRPF-INIZCTEOSA-N 495.505 5.127 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3)cc2)CCC1 1792158412 IHSUUONVLTXPJF-LJQANCHMSA-N 463.578 5.024 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)ccc1O 1792169100 SBEAZLRGUWOAFS-UHFFFAOYSA-N 499.567 5.121 30 20 JKED CC[C@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1Cl)C2)c1ccccc1 1795572914 IXLZZECNBSFXEC-VSALZBCGSA-N 464.009 5.293 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12 1801203217 QMEGHPHPHUIPQO-KOUNCHBCSA-N 482.967 5.543 30 20 JKED CC(C)[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1803220589 CYDJLAGVWSRCSD-KMLOMXCPSA-N 494.639 5.468 30 20 JKED Cc1cccc(C)c1SCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)c(C#N)c1 1803838702 COWIBPWUSAXRHH-BKFWDETESA-N 491.657 5.006 30 20 JKED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)c1 1803899865 SEKKPPIVBADHGT-BJWYYQGGSA-N 492.790 5.093 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(C(F)(F)F)nc5ccccc45)CC3)C2)C1 1804779335 DAFYZHRNRQYEAP-UHFFFAOYSA-N 471.523 5.065 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccnc3ccccc23)[C@@H]1c1cccnc1 1808961381 GGMUQNDWQQUXMV-LXFBAYGMSA-N 498.703 5.001 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)cc1 1809619288 XDSDYGAIBVOPGY-PRWRRSIPSA-N 498.671 5.198 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810267900 QNWBFZQZPAZTTI-ZCYQVOJMSA-N 467.730 5.131 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccncc23)[C@H]1c1cccnc1 1810271694 IZXYPHOSWNIMMV-CUBQBAPOSA-N 498.703 5.001 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1811427887 RDLCVEFATWTVIQ-QABMSTFYSA-N 492.623 5.333 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1811943986 JRSJZTZAQMKINK-RPLLCQBOSA-N 474.649 5.578 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1812259583 ISXKOAYGKPRZGG-CPJSRVTESA-N 491.035 5.595 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H]1c1cccnc1 1812591288 VYELMSIPTLOTTC-PPNCUWOSSA-N 493.611 5.157 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@H]1c1cccnc1 1812596410 QIQKOHIRBMISNG-LEDOBFOHSA-N 485.550 5.050 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@@H]1c1cccnc1 1813226023 AFFLAIGSWBLOHI-UQBPGWFLSA-N 496.533 5.095 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(Br)c3CC)[nH]n2)C1 1814397841 WSZDMUVFCIFAQA-HXUWFJFHSA-N 471.399 5.007 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814935817 RSTXBQZIUMJABH-KXNZUKPASA-N 467.013 5.443 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1815208857 PBXGCVSNGFWORP-NRFANRHFSA-N 489.016 5.139 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)c1 1815243652 PQIVMQYMFCMTBD-VWNXMTODSA-N 477.634 5.040 30 20 JKED CC(F)(F)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1815337404 LMKCECTTZUROQN-KRWDZBQOSA-N 497.468 5.287 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1815658942 KKZSBSWFRZZPBL-INIZCTEOSA-N 487.840 5.595 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)n[nH]1 1816107512 WHRSSCLSNHSWDV-RUZDIDTESA-N 487.604 5.488 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ncsc34)n[nH]2)c1Cl 1819154822 HLHLVALNUWHARF-LJQANCHMSA-N 490.976 5.164 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)[nH]n1 1819309140 NBSNXDSXVRGLEN-VWNXMTODSA-N 494.636 5.210 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384703 XQADVSSJNVXZSB-LJQANCHMSA-N 456.688 5.137 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)nc2Cl)n[nH]1 1819679345 UUBWQEFPVPAALA-INIZCTEOSA-N 464.397 5.410 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)c1 1820530297 PRMMKBBKEZVKHH-ZHRRBRCNSA-N 495.505 5.675 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n[nH]1 1821083556 PPSXHFWRGDLODR-UGSOOPFHSA-N 452.452 5.086 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)[nH]n2)c(Cl)c1 1821277747 HOCOXEROGKNNDY-OAQYLSRUSA-N 472.936 5.036 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1822391729 IIGLYAQNFNFGJB-XMMPIXPASA-N 479.584 5.439 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1822579790 IKPFLCQCCRUBKZ-XMMPIXPASA-N 469.589 5.280 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCCCc2ccccc2)n[nH]1 1823461600 MQDWEVXICYRITO-XMMPIXPASA-N 463.626 5.679 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824510716 TXQJPYUPSPHTHY-CJFMBICVSA-N 474.601 5.410 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)cc1 1824881921 GUFLGTAXNAZAEF-RUZDIDTESA-N 481.999 5.021 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1824961637 UFIBQHGJYWWQHR-SANMLTNESA-N 479.690 5.247 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)CC1 1825099902 DNQYOBLLQXIOOZ-LADGPHEKSA-N 491.598 5.421 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)s1 1825790968 SLHZJGFOEMIEMA-QHCPKHFHSA-N 479.646 5.263 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826511402 YCNJNDFIHCKEPW-BJKOFHAPSA-N 476.583 5.636 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827332012 MXNVAGAJEYOPRL-AREMUKBSSA-N 457.618 5.094 30 20 JKED CCC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)n1cccc1 1827632706 NKBINDZYJCAHSL-RPBOFIJWSA-N 481.040 5.288 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828166254 IIJZSIXNRTUJBE-DEOSSOPVSA-N 466.025 5.315 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828553429 QVENOHCCLIGTGZ-AVRDEDQJSA-N 491.682 6.137 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1828713017 AFZMQXCKASRJIO-DEOSSOPVSA-N 499.577 5.681 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(OC)c23)CC1 1828831487 VFEUECGSDZABQH-URXFXBBRSA-N 463.622 5.178 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4c(Cl)c3OC)CC2)C1 1829707931 JMJBYHGNHRVIRU-XMMPIXPASA-N 481.036 5.701 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1830114287 UOYOYLFTUJXDBA-DEOSSOPVSA-N 480.008 5.076 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c1 1830573263 UKMNTSUDOIQWQY-HSZRJFAPSA-N 467.972 5.206 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1830628353 GCBMMRBHEKKLBL-XMMPIXPASA-N 489.616 5.654 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccsc3)CC2)c(Cl)c1 1830721737 VIQNAGAOPRLVGI-QHCPKHFHSA-N 470.038 5.139 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)c1 1831060420 OYTOBTIYPGIHRF-MHZLTWQESA-N 491.591 6.005 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1831367601 KVLNDJPTMAEQRJ-QTJGBDASSA-N 491.717 5.148 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1831446422 LPQYCAJJNWSIGJ-FQEVSTJZSA-N 464.940 5.531 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1831850823 NXBUIGIDQBAOMP-OAQYLSRUSA-N 457.039 5.592 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC(=O)OC(C)(C)C)CC2)c1 1832629842 WIMUBALJMGDYNM-PXDATVDWSA-N 495.664 5.059 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)c1 1832633257 FEQLOSYICAUOGV-JIPXPUAJSA-N 473.617 5.178 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)c1 1832634444 RPHWYJKGMSQMON-AOLGGSBGSA-N 469.629 5.277 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2F)CC1 1832723378 QFAAJMWCASURKU-BTYIYWSLSA-N 483.397 5.173 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1832737582 JGYJYZKNAPTKTM-WIOPSUGQSA-N 486.056 5.300 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCCCc2ccccc2)CC1 1832861962 BSWJSBJFQQEGKN-HHHXNRCGSA-N 465.682 5.883 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@H](S)C(C)C)CC3)c[nH]c2c1 1832960828 QLFNZGIAPCYTEO-UTVSTPLMSA-N 467.679 5.064 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)CC1 1836748725 WZPGDBPKNWSBBR-MHZLTWQESA-N 487.084 5.272 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(Br)cccc3c2)C1 1844095068 QSSQMJWRXZWFBS-HXUWFJFHSA-N 467.407 5.188 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc3c(Br)cccc3c1)C2 1844202568 OXUWNLYXAVNVAY-FQEVSTJZSA-N 467.407 5.188 30 20 JKED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCc2ccccc2)C1 1847029655 ICGMVVULQNLAGB-UHFFFAOYSA-N 494.724 5.225 30 20 JKED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)CCCCCCCCCc3ccccc3)C2)c1 1847035574 XUANMUKIMOJUAT-UHFFFAOYSA-N 460.622 5.067 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 11262793 FPUBIKAGUGYBBM-UHFFFAOYSA-O 465.642 6.739 30 20 JKED C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nc2scc(-c3cccs3)c2c1=O 12241292 BKDLUWNZGRSDLY-HXUWFJFHSA-N 497.642 5.624 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2 14871859 DEBWGQUDRJHLSM-UHFFFAOYSA-O 450.027 6.120 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(CC#N)cc2)c1 15029397 HIEPINGSXIHJRP-UHFFFAOYSA-N 495.988 5.048 30 20 JKED Cc1ccc(-n2c(SC[C@@H](O)COc3ccc(CC#N)cc3)nnc2-c2ccccc2)cc1C 15232755 LPHYKKLOKMGJFJ-DEOSSOPVSA-N 470.598 5.149 30 20 JKED C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16942655 WHBGWBNFRXAXHY-ZDUSSCGKSA-N 458.012 5.242 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 21849310 DXOCKIRIMWTBNF-UHFFFAOYSA-N 481.577 5.074 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)nnc1-c1ccc(Cl)cc1Cl 22183480 JSVYKILKBXRELE-OCCSQVGLSA-N 493.382 5.767 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 22521057 UBDOJMRRFXBFTA-HUUCEWRRSA-N 491.444 5.805 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730887 YDVROMWIAHDYAG-UHFFFAOYSA-O 451.615 6.233 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1c(C)cc(C)cc1Cl 22732777 VNIILYYKWFRZCY-UHFFFAOYSA-O 459.969 6.136 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)nnc1-c1ccc(Cl)cc1 32461187 JUUOKYWYXKVPQB-UHFFFAOYSA-N 484.025 5.500 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 69643762 YURWWYXESUWBRC-AWEZNQCLSA-N 471.410 5.374 30 20 JKED CC(C)(C)C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)cc1 71931610 PZBWZSQSPWLSGN-HXUWFJFHSA-N 464.541 5.455 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)n2)cc1 72032228 YSGAYGJJQPDENA-QHCPKHFHSA-N 488.590 5.283 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 106116558 WHOFRIAKLZJABQ-UHFFFAOYSA-N 472.508 5.554 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1Cl 107647333 ZRZJHSBBPMVPEE-OAQYLSRUSA-N 459.908 6.361 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc12 113144749 IAFMVUVPPRVFQQ-INIZCTEOSA-N 469.353 5.663 30 20 JKED C=CCn1c(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)nnc1-c1ccccc1F 217501946 YKANMWVWAAZCGZ-UHFFFAOYSA-N 472.394 5.143 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 250684019 CMILMWBLVNLJSZ-WVTLLZAPSA-N 457.669 5.150 30 20 JKED CN(Cc1csc2ccccc12)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 302973376 SPSVIIAOWLPXTI-UHFFFAOYSA-N 451.602 5.581 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 303031834 XLAZPMJNCHDAHR-UHFFFAOYSA-N 482.487 5.591 30 20 JKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 409999879 JTBICHKKMPQHFU-UHFFFAOYSA-N 498.587 5.453 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C#N 480217328 UIGCICCLFGITHY-INIZCTEOSA-N 456.571 5.296 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1cccc(OC)c1 481828187 BZHSGEAVHURHDK-UHFFFAOYSA-N 481.578 5.133 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 487914247 OQANGRFXZAFPGC-GOSISDBHSA-N 498.332 5.308 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCOc2cccc(Cl)c2Cl)cc1 490633086 WRFUNWHVMIECQC-UHFFFAOYSA-N 455.341 6.046 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c(C#N)c(C)c1C 498529381 XSQKAMHUQAWUFP-UHFFFAOYSA-N 451.596 5.017 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 499526573 CVSNMUDYLZBDDW-UHFFFAOYSA-N 467.978 5.065 30 20 JKED CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCSc2ccc(Br)cc21 504620391 KIIHUFDUVQUVNH-IBGZPJMESA-N 483.387 5.802 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 508203344 HVYLBUQFELCNTE-UHFFFAOYSA-N 490.028 5.492 30 20 JKED C[C@@H]1CCc2c(sc3nc(SC[C@H](C#N)CCC#N)n(CCc4ccccc4)c(=O)c23)C1 508372121 WYHBHFVJCNLPRY-MJGOQNOKSA-N 462.644 5.361 30 20 JKED C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 509208971 FPBSWMPLXSEEIY-HXUWFJFHSA-N 490.554 5.521 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 509686747 SAOJPCKVGXRQBL-XMMPIXPASA-N 463.493 5.149 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1 509990777 DJMHTGIMUHYHQF-VWLOTQADSA-N 461.949 5.705 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2nccn2Cc2ccccc2)cc1Cl 510024793 WBXRUAGFXKZKMV-XMMPIXPASA-N 469.976 5.604 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C(C)C)cc1 510247480 YFFRUFWJQHRAIE-IBGZPJMESA-N 453.593 5.229 30 20 JKED Cc1ccccc1C1(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCOCC1 510618376 RTHUQROJCNIICG-UHFFFAOYSA-N 469.585 5.510 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)cc1 511695069 GHSYJZNSBMFRMX-UHFFFAOYSA-N 495.607 5.204 30 20 JKED N#Cc1ccccc1S(=O)(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 511737516 LSEILROTWUVWPE-UHFFFAOYSA-N 460.437 5.022 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 512568277 GSURPODUIATLKV-UHFFFAOYSA-N 479.967 5.182 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccccc1F 514703326 WDCHDUHYCORMSW-QHCPKHFHSA-N 458.562 5.420 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(F)cc1 514962271 TWBNTKSUHATNBD-SFHVURJKSA-N 476.581 5.192 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 514978899 UXBFCKITYVKNQJ-UHFFFAOYSA-N 452.898 5.614 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC(F)F 515887308 UWQCKRBNIPNFJD-MGPUTAFESA-N 483.902 5.413 30 20 JKED COc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 516034080 OBFALPRSWKBBHF-NOZRDPDXSA-N 473.960 5.306 30 20 JKED C=CCN(C(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516069834 LHLDENQFOJFWPB-JMUQELJHSA-N 490.691 5.210 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)CCCc4cccs4)c3)n2)cc1 516714045 NXHSCHDGGSEDSZ-HSZRJFAPSA-N 496.617 6.195 30 20 JKED Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 517378492 PEVDISLEJGXWIJ-UHFFFAOYSA-N 498.587 5.453 30 20 JKED C[C@@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518674670 DXZZDYXAUYGZCU-ZDUSSCGKSA-N 453.461 5.008 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 519883322 XRRCAVBUVZORFY-HZHRSRAPSA-N 496.592 6.444 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(N2CCCC2=O)c1 519972706 DHCAVAHZCAMKBN-UUOWRZLLSA-N 472.976 6.005 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc(-c2c(F)cccc2F)cs1 520427349 FPGBTXGSPKGZQH-AWEZNQCLSA-N 482.462 5.531 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 521078434 BRZDJGACPSIWNV-UHFFFAOYSA-N 461.569 5.368 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 521794862 YCQCHECJZAMXLU-UHFFFAOYSA-N 484.383 5.431 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)cc1 594654795 DCWRKAMPIURSRO-XIIJWGSISA-N 477.608 5.120 30 20 JKED Cc1sc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(C#N)c1C 603444649 MGTAAKXLWQWKHV-UHFFFAOYSA-N 473.476 5.525 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H]1c1ccccc1OC 603623861 OKFKJFWMDDDTCB-RBJSKKJNSA-N 498.583 5.473 30 20 JKED CC(C)CN(C(=O)c1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)nc1)c1ccc(C#N)cc1 603739159 HCGUXZZJKKZKQN-UHFFFAOYSA-N 479.584 5.431 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCc3ccc(C(F)(F)F)cc3)c2)c1 603831487 OTVQELUVCYVNHO-UHFFFAOYSA-N 452.436 5.194 30 20 JKED N#Cc1c(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)sc2c1-c1ccccc1CC2 603991558 CIGJHFCMQZCTLF-UHFFFAOYSA-N 488.572 5.396 30 20 JKED N#Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3ccccc3I)cc2)cc1 604073798 HBDLVQOPJDHUGY-UHFFFAOYSA-N 482.281 5.059 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)c2)cc1 604153134 UZYBTGFNHWAPMW-DEOSSOPVSA-N 492.579 5.158 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccccc1 604548119 YBKDUUQQCIXWRW-HOTGVXAUSA-N 465.648 5.705 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 608936148 TUUPEQIEJQAOLB-UHFFFAOYSA-N 484.600 6.065 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1Cl 609046616 GYLXSHHMNZTIKC-HXUWFJFHSA-N 494.929 5.264 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(Cn2cccn2)cc1 609079187 OCHZSDVBVUANNK-UHFFFAOYSA-N 451.530 5.012 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 609080382 WNDIUTTXGVMKMX-NRFANRHFSA-N 497.599 5.195 30 20 JKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[nH]c2c1 609123772 ZLRDJKIJBDBLBU-XMMPIXPASA-N 469.520 5.830 30 20 JKED N#C[C@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccc(OCc2ccccc2)cc1 609174786 WFZIXOFEPZHTJY-QHCPKHFHSA-N 478.508 5.375 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 609439646 KHQMEMYCUDZETC-CLOONOSVSA-N 455.583 5.194 30 20 JKED COc1cc(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 612429107 AUWCHIFJDRKXGK-ITGUQSILSA-N 496.370 5.345 30 20 JKED C=CCn1c(SCC(=O)NCC2(c3ccccc3)CCCCC2)nnc1-c1ccoc1C 613908252 SJZANTYEXJHMNC-UHFFFAOYSA-N 450.608 5.143 30 20 JKED O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1ccc(F)c(C(F)(F)F)c1 622559958 MTKIIJGJPSQSHH-UHFFFAOYSA-N 451.338 5.179 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)c(NC(C)=O)c2)nnc1-c1ccc(Cl)cc1Cl 636689646 WWKKOUMFVNOVKK-UHFFFAOYSA-N 494.379 5.266 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 642282701 XIYLJQMDYYLYRD-HXUWFJFHSA-N 494.523 5.137 30 20 JKED C=CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)c1nc2c(s1)CCCC2 648056973 UGSVUWWHYRCFKI-UHFFFAOYSA-N 475.618 6.057 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCc2ccccc2)cn1 726118903 RDHUKCQYLBYBIE-RUZDIDTESA-N 497.624 5.259 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2cccc(Cl)c2Cl)C1=O 726415138 IELQJKDQHNGPBR-GOSISDBHSA-N 480.417 5.048 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726420912 JXGPHNHQQQUNFO-KAVHPSCTSA-N 483.615 5.330 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(C3CCCC3)C2=O)c(OC)c1 726422211 UIKROGSMBNOWOJ-BUOZQURKSA-N 487.647 5.098 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNc3ccc(C#N)c(C(F)(F)F)c3)cs2)cc1 726426848 JTQAWOBFBMMMKT-UHFFFAOYSA-N 459.453 5.173 30 20 JKED C#Cc1cccc(NC(=S)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCCCC2)c1 726442884 JTIOUTWDCVPCFT-UHFFFAOYSA-N 459.640 6.140 30 20 JKED C[C@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 728333112 ONSUPZYJSFAOIR-AWEZNQCLSA-N 458.396 5.309 30 20 JKED Cc1nc(/C=C\c2c(Cl)nc(Cl)n2C)sc1C(=O)/C=C/c1c(Cl)nc(Cl)n1C 728440142 JYKJYRBWEWFKEQ-GUBXDBFYSA-N 477.204 5.599 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCCCC#N)C2=O)c1 728779799 LJFRFUJAYWEZSH-DEOSSOPVSA-N 474.630 5.446 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728780164 OOBUIXXDEDVTHO-OAQYLSRUSA-N 469.010 5.557 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](c2ccccc2)C2CC2)c1 730727753 UXCMXKVIGHCYDJ-URXFXBBRSA-N 489.576 5.036 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730932784 QKFREXRUMVUDTO-JOCHJYFZSA-N 499.036 5.019 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1C 730942414 PIKCTWCBQTUDMK-GAJHUEQPSA-N 494.567 5.698 30 20 JKED COc1cc(/C=C2/Cc3ccc(C)cc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 730948832 MMEIERAIYRKYAE-UNOMPAQXSA-N 481.470 5.862 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3sccc3S(=O)(=O)C(F)F)cc2Cl)c1 730968565 SBNWPQYDVZYLHH-UHFFFAOYSA-N 482.917 5.101 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(OC)c2)s1 731307608 ILQCJBWYVQZPJL-QFIPXVFZSA-N 495.626 5.185 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCCC#N)c(Cl)c1 731307922 IASVYOQRKGAWPY-HXUWFJFHSA-N 485.009 5.317 30 20 JKED CC(C)c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)cc1 731311677 DMZSYXHZSLRYSC-RUZDIDTESA-N 498.608 5.548 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(Br)cc1F)C(=O)Nc1ccc(SC(F)F)cc1 745312165 FOQZEZXDLRGPGM-HNNXBMFYSA-N 471.298 5.183 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)OCC)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747544661 UAEHVZXCHDSXPB-UHFFFAOYSA-N 468.406 5.504 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC(OC3CCCCC3)CC2)c1=S 747800202 PGHRKAFSOUKFLB-UHFFFAOYSA-N 460.619 5.089 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 747802675 DZVIAJWWRQQSBU-BWKNWUBXSA-N 499.080 5.890 30 20 JKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 750301476 GEOOTQIXIGXALE-KDYSTLNUSA-N 450.586 5.790 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CC(F)(F)F)C1=O 799220812 HXMJPFVPAVFVHY-SFHVURJKSA-N 499.942 5.651 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1F 837300267 ALKBIRJCZPYREW-VFNWGFHPSA-N 466.513 5.081 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccs2)C1=O 837782182 ISQVQQIDYLPWPD-FQEVSTJZSA-N 486.018 5.571 30 20 JKED N#CCCN(C(=O)COC(=O)Cc1csc(-c2ccccc2Cl)n1)c1cccc(Cl)c1 839149353 WKVYQESKVLCEFX-UHFFFAOYSA-N 474.369 5.149 30 20 JKED CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 904598601 YGLJUZNSVIMOMS-UHFFFAOYSA-N 459.893 5.114 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)cc2)cc1 912630131 PWOYRGQLEAKSHU-UHFFFAOYSA-N 489.560 5.566 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc2sc(C)nc2-c2cccs2)c1 912658085 OJKHRPUBGWRXKM-QGZVFWFLSA-N 467.616 5.218 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc(C)cc2)C=C1 912797860 LNWMLNKQLCTOKY-UHFFFAOYSA-O 453.971 5.520 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(O)c2)c1 912947116 OGMUCLXBKKJSFH-UHFFFAOYSA-N 477.369 5.333 30 20 JKED CCn1cc(C(=O)O[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)c(=O)c2cc(Cl)ccc21 914983664 XKTFVDFZFSFDPC-SGMWPGOQSA-N 478.976 5.101 30 20 JKED C[C@@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103053 NNFZWIRIMDIZAS-ZWNOBZJWSA-N 450.372 5.173 30 20 JKED CCOc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(C)C)cc2)cc1OC 915116681 MRBCPMCILJAKNX-XMMPIXPASA-N 495.645 5.018 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(COCc3ccccc3)cc2)C1=O)NC1CC1 915270560 YIVQTKAZAKTLRZ-SANMLTNESA-N 499.636 5.204 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 915782377 ZVSSUSJYYIWKLN-DWACAAAGSA-N 473.576 5.617 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OCc2ccccn2)c1 915945225 RVTAVQNLDKRZSF-UHFFFAOYSA-N 451.555 5.167 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2cc3ccccc3o2)cc1OC 916138380 IDMCNWMVLGWBKT-XFFZJAGNSA-N 491.927 6.017 30 20 JKED C=CCOc1c(Br)cc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)cc1OCC 916138513 LMYRDWHRCCAPFA-SFQUDFHCSA-N 482.330 5.155 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccc(F)cc2)c1 916206085 LXXBTCFRRQZDBY-QFIPXVFZSA-N 499.514 5.273 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCc3ccccn3)C2=O)c1 916212548 XPHOMUGUMUQSAC-HSZRJFAPSA-N 476.577 5.041 30 20 JKED N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)c1nc(O)c2c3c(sc2n1)CCCC3 916847154 MQDJCKSXCKEOGF-SFHVURJKSA-N 453.523 5.594 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1cccc2cccc(Cl)c12 916903412 NUEYIEDYPCPCAR-IBGZPJMESA-N 450.991 6.058 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)s2)cc1 916919459 XVLRWLFUJDOBRR-NRFANRHFSA-N 455.539 5.632 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 916956019 WVDPJVFDVIOGOA-KUHUBIRLSA-N 468.966 5.343 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)Nc1ccc2c(c1)OCCO2 916964183 BSAHWEDFOUSGEO-JHTBKMLMSA-N 464.930 5.200 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)ccc1OCc1c(C)noc1C 917644964 PKJXPOPFPSAUDU-JJFYIABZSA-N 477.567 5.157 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2)n1 917673711 FZTVRYMWBZHMAP-VWLOTQADSA-N 480.593 5.704 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 917798139 QMVTVZQWDBZFKA-RDGATRHJSA-N 473.598 5.095 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1 919825427 IEOKAIHRECTSRD-MNDPQUGUSA-N 487.581 5.002 30 20 JKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141872 MXEKTHWLZAJGDW-MLGOLLRUSA-N 458.395 6.346 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc3sc(Nc4ccccc4C)nc3s2)n1 920669443 UQVBSIFQZOQMPA-ZDUSSCGKSA-N 468.585 5.208 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1C 920893227 PWJAXXSFRPABDK-HXUWFJFHSA-N 486.572 5.103 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1781739005 NLWUFMMMJBJZPW-SNSRZVPCSA-N 497.639 5.242 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)cc1F 1785794826 GFFLPDHQQGGSJO-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3Cl)cc2)CCC1 1785956886 IRLWNEFUYOVCEC-UHFFFAOYSA-N 468.981 5.299 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2)CCC1 1789388684 JQZGBOBRTPRJCO-UHFFFAOYSA-N 489.616 5.304 30 20 JKED Cc1ncccc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790081708 FFRDZYSPVYAMAJ-UHFFFAOYSA-N 472.976 5.296 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5Cl)cc4)CCC3)c2c1 1790082463 BXEOSQDJILKZEC-UHFFFAOYSA-N 494.942 5.021 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3n[nH]c4cc(Cl)ccc34)cc2)CCC1 1790373790 WYSVHAKQJQGARR-INIZCTEOSA-N 450.970 5.105 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790706549 KCMFCXLQUJFFET-HXUWFJFHSA-N 452.558 5.001 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791251406 HQCUUYRYRZTQDD-SFTDATJTSA-N 483.653 5.370 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C(F)(F)F)[nH]c34)CCC2)cc1)C(F)(F)F 1791302664 FVQMTAVZSLUBHE-UHFFFAOYSA-N 496.411 5.448 30 20 JKED CC(C)(C)OC(=O)NC1CCC(C)(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)CC1 1791479332 YDXXGECWPIPLOW-UHFFFAOYSA-N 496.652 5.144 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)cc1F 1791965543 UQUXHEAUBLMOSP-UHFFFAOYSA-N 485.559 5.015 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn(C)nc4C(F)F)CCC3)cc2)c1 1792123430 ABPWVQCRTJQQIE-INIZCTEOSA-N 477.515 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn(C)nc4C(F)F)CCC3)cc2)c1 1792123431 ABPWVQCRTJQQIE-MRXNPFEDSA-N 477.515 5.046 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ncc[nH]4)cc3)cc2)CCC1 1792154833 RVFCZGHQWQFYJZ-UHFFFAOYSA-N 450.489 5.036 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cccc1C(F)(F)F 1798421279 OBFMHDUYPPFWPJ-ACDBMABISA-N 478.631 5.317 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)cc1Cl 1800688330 DLWWXRYBBWSQBE-WKCHPHFGSA-N 484.987 5.148 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)cc1 1801078659 IYJYLAVCVVHHNK-BKFWDETESA-N 492.579 5.184 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)Cc3ccccc3Cc3ccc(F)cc3)[C@H]2c2cccnc2)C1 1802414291 QIEVFLHPYKJIQG-YZNIXAGQSA-N 497.614 5.026 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1802996093 UQWDZIADJCMBSW-MBSOTRTCSA-N 471.645 5.337 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1803078310 TVFRMUKMBZOUKO-SQHAQQRYSA-N 484.600 5.133 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1C(F)(F)F 1803859419 QAUOIAASOHLHFF-QDMKHBRRSA-N 488.403 5.429 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808159408 KTABSYINSHHMGJ-NLFFAJNJSA-N 493.051 5.837 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC2(CCN(C(=O)CCc3cccc(C#N)c3)CC2)C1 1808373321 CHYXWMBDVLDAPP-UHFFFAOYSA-N 475.633 5.235 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1808703729 KAUNEXCXFWVACD-SIKLNZKXSA-N 475.511 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1810494091 CSMLAILSPFOKSH-NZQKXSOJSA-N 476.646 5.312 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1811107829 GNTNLOZJNDFVCV-YLJYHZDGSA-N 478.445 5.538 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811459505 LQNBKQCYDVRSFL-GWJPWWOOSA-N 490.406 5.616 30 20 JKED Cc1cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)ccc2[nH]1 1812279148 QEPNOTPSDNKASE-VRKFOXNMSA-N 491.595 5.132 30 20 JKED C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(CCCC)cc3)cc2)[C@@H]1c1cccnc1 1812529706 DNJFPPRQKTZIMG-LMSSTIIKSA-N 465.597 5.044 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H]1c1cccnc1 1812591284 VYELMSIPTLOTTC-IUGBQFMMSA-N 493.611 5.157 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(SC)cc2)[C@H]1c1cccnc1 1813237800 ZEGLOFJYXSDNMN-RCZVLFRGSA-N 465.663 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1813941783 XVKULXXCQQCDEE-WZONZLPQSA-N 473.951 5.101 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)ccc2c1 1814738360 ACIAMVRPQPDKSX-AREMUKBSSA-N 492.583 5.077 30 20 JKED Cc1scc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1C 1816615878 RWAXFGZTJIIUIL-OYHNWAKOSA-N 461.591 5.335 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818164757 VIVCIUPLOKZBGH-KNQAVFIVSA-N 496.995 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn3cc(Cl)ccc3n2)[nH]n1 1819554583 JOEWKMDSSVYEOB-LJQANCHMSA-N 468.989 5.009 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820148771 FPIMCJRNLGBTGU-GBXCKJPGSA-N 497.599 5.226 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncccc2SCC)n[nH]1 1820398322 AESXCEJWSYXWFL-SFHVURJKSA-N 455.628 5.215 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3cccnc3)cc2)n[nH]1 1821003875 QAPDCRQRAYWALZ-UKILVPOCSA-N 469.589 5.546 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(C#N)c2)n[nH]1)c1ccccc1 1821321694 BMOVLUAIVTYVDL-UPVQGACJSA-N 455.562 5.090 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)[nH]n1 1821987236 KJFRNHRTCGBBQC-BKMJKUGQSA-N 496.558 5.328 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 1822346489 QSTGJMLOJXKWFH-OAQYLSRUSA-N 486.538 5.346 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1822585270 PCNOVMPXLHJORP-IBGZPJMESA-N 464.463 5.067 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)[nH]n2)c1 1823217291 KBZJUFPWNMLVBT-KOSHJBKYSA-N 494.555 5.311 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823676286 MJPIWYLEVSENKK-WIOPSUGQSA-N 468.041 5.823 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1823683730 ZZJOBSYWKZNPPZ-RUZDIDTESA-N 497.561 5.443 30 20 JKED Cc1cccc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)n1 1823727009 DRELDPIEWZPJOP-ZSNJSTEGSA-N 479.741 5.074 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1823754828 DFBGVRDVEKNKBM-XZOQPEGZSA-N 491.717 5.292 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824052822 UASFQSKSMBLFLK-SANMLTNESA-N 489.660 5.623 30 20 JKED C=CC[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824226081 LXERZDUZSMSMAL-RDJZCZTQSA-N 474.586 5.322 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](S)C(C)C)CC1 1824540365 HXTVCCSAQFTXNC-AEFFLSMTSA-N 487.529 5.007 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824836268 AEPWBPZKIMUPPL-GLCJEOIMSA-N 484.509 5.550 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)CC1 1826370186 PEQMTLLJSLTYOQ-VWLOTQADSA-N 454.655 5.240 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSc3ccccc3)CC2)c1 1826524098 VRTSWDODOHGYOH-LVXARBLLSA-N 475.658 5.339 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827362988 PYZCJEPOXNUOLC-FQRUVTKNSA-N 487.669 5.453 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cc(Cl)ccn23)CC1 1827367114 OZDNGBXPMKDEAB-OAQYLSRUSA-N 471.045 5.213 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CC2)C1 1827380914 MFTDMEPNVIMTDG-HHHXNRCGSA-N 482.628 5.429 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c2O1 1827515671 IBMDBLOKBJIEGP-HHHXNRCGSA-N 499.655 5.403 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1828152226 DEMGQQDZODKDIF-SANMLTNESA-N 489.019 5.434 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC1 1828353616 PESIOMZOSDDSSG-URXFXBBRSA-N 487.566 5.557 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Br)cc4)CC3)CC2)C1 1828448116 MVDFBCVCTZIVPS-HSZRJFAPSA-N 485.466 5.067 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1828826689 KBIBWIABJFXENK-OFVILXPXSA-N 451.586 5.309 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1)c1cccs1 1829671798 VBKHILIWXMGRQL-BMOUEYTDSA-N 493.604 5.041 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829783678 BSOJBOLHFSEKER-SANMLTNESA-N 493.623 5.104 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)c1 1829953498 CUCBDBFZLXRLEG-AREMUKBSSA-N 494.035 5.304 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830987179 FMWZSLRBMMSOKQ-IERDGZPVSA-N 489.479 5.154 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1831374403 PRFVAPWCRYTHRZ-HTAPYJJXSA-N 466.544 5.160 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1831445710 SJNMPHJKNYPQBT-IBGZPJMESA-N 464.553 5.485 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1831449233 XFIVSVIDYALMDW-MAIVGLDJSA-N 495.408 5.293 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 1831854762 NNFMCQLFROQMRU-QHCPKHFHSA-N 474.567 5.160 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c12 1832633748 LWXGTPPHWUINDI-RXFWQSSRSA-N 498.627 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)CC1 1836544201 NEZYEVBVXZXDCW-YHBQERECSA-N 459.719 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(OCc2ccccc2)c(OC)cc1C 1847531413 CIGFRXAXOXVEEI-UIOOFZCWSA-N 488.628 5.166 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 10172486 BBCAVEFCNQDFRC-UHFFFAOYSA-O 496.612 6.141 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172864 NLSXQVGRQRJRDS-UHFFFAOYSA-O 481.588 6.068 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(N(C)C)cc2)c(Cl)c1 10178735 BMAFYZHWHLSGHI-UHFFFAOYSA-O 470.062 5.317 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cc(C)cc(C)c1 10361576 NLVQSRBKIUFWFD-SANMLTNESA-N 466.610 5.832 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c(F)c1 11007314 HHKZGZXPVKADEQ-UHFFFAOYSA-N 462.365 5.028 30 20 JKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1 11167614 NWRAUBJNRZPBEC-UHFFFAOYSA-O 473.568 6.202 30 20 JKED CC(C)c1ccccc1-n1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cccnc1 15184073 SSTIIPSGKZOVKH-UHFFFAOYSA-N 454.559 5.055 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2ccccc2OC)nc2scc(-c3cccs3)c2c1=O 16986886 FIEUQBJNOGRBGV-OAHLLOKOSA-N 497.667 5.178 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1[C@H]1COc2ccccc2O1 21119244 JBWVYFVKHCONDE-AUUYWEPGSA-N 490.507 5.115 30 20 JKED Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)cc2[N+](=O)[O-])n1 21688738 JEHQHIOXQQSLKI-MRXNPFEDSA-N 496.570 5.003 30 20 JKED Cc1ccc(C)c(N2N=C(/C(O)=N/c3nnc(SCc4ccc(Cl)cc4)s3)CCC2=O)c1 22378780 DJZMVHTXHJISFB-UHFFFAOYSA-N 486.022 5.872 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1[C@H]1COc2ccccc2O1 23517656 YJMRVWUMZMQUQG-MGPUTAFESA-N 470.982 5.058 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)nc2)nnc1-c1ccc(Cl)cc1Cl 26797915 KSWMDHWZKWWMSU-UHFFFAOYSA-N 489.432 5.164 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccccc1OC 45697572 MQNYWYHQVMNWRY-INIZCTEOSA-N 493.658 5.319 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)CCc2ccc(-c3ccccc3)o2)nc1C 45886694 SUUUNBJJAPLFRO-UHFFFAOYSA-N 451.577 5.016 30 20 JKED N#CCCCOc1cccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 71975133 CRYTURHLDPFWGY-XMMPIXPASA-N 461.949 5.522 30 20 JKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(OCc2ccccn2)c1 71977603 QIDVUOOMWSQXTF-HXUWFJFHSA-N 465.578 6.174 30 20 JKED O=C(Nc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1)c1ccccc1F 107864237 FGVKPARFXWMCGX-STQMWFEESA-N 476.392 6.404 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 108088388 UXBOSCPBZRMWQW-UHFFFAOYSA-N 469.969 6.025 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)CC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 108261770 LEXOZDJCTMZANY-HNNXBMFYSA-N 452.407 5.285 30 20 JKED COc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1NC(=O)OC(C)(C)C 108826846 KBEMVEUMRKBMIT-UHFFFAOYSA-N 473.529 5.745 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 195686739 PJDPVEDRLBJGNU-UHFFFAOYSA-N 497.020 5.402 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnc3sc4c(c3c2=O)CCCC4)cc1 254592088 FPZYJSKUYHLNDG-UHFFFAOYSA-N 481.581 5.080 30 20 JKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 303217474 TZUHRMVROHGQSV-UHFFFAOYSA-N 459.937 5.677 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 303237888 ZGQILNAEMQXKES-UHFFFAOYSA-N 455.949 5.073 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 485262266 SGJRENDZZFJFHN-ZHRRBRCNSA-N 499.920 6.172 30 20 JKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 501710545 YKEDDLFQNSQXPX-UHFFFAOYSA-N 485.609 5.987 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 504806281 NXLDXBORQOHJGY-OAHLLOKOSA-N 453.420 5.235 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 508054787 POLZEHCDDLWUJN-UHFFFAOYSA-N 476.001 5.351 30 20 JKED C=CCOc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)c1 510051993 YRGFUYVGXGGNPL-UHFFFAOYSA-N 463.390 5.567 30 20 JKED N#Cc1cc(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)ccc1OCC(F)(F)F 510770497 ZQPCPOIVENKBMB-UHFFFAOYSA-N 467.875 5.023 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(COc4ccc(F)cc4)nc3C)n2)cc1 517801171 YXQJWQDDFIFILZ-IBGZPJMESA-N 479.558 5.792 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCOc1ccc(I)cc1 518740037 FBNMLFYULCVWHN-HNNXBMFYSA-N 480.371 5.483 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 518743022 ITRKXBHMUNAYGJ-CQSZACIVSA-N 484.672 5.542 30 20 JKED CCc1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1c(Cl)cccc1Cl 519516535 OZZGENZXBSKDKL-CYBMUJFWSA-N 460.390 5.783 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc(-c2c(F)cccc2F)cs1 520431927 CBVHDOCKEMLPJY-GOSISDBHSA-N 459.477 5.831 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 522481329 JDTVYRYEMSNUOD-UHFFFAOYSA-N 477.973 6.013 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 603654712 AYQJSCRFFONYHX-UHFFFAOYSA-N 461.362 5.104 30 20 JKED CCOC(=O)c1c(NC(=O)CSCc2ccc(C#N)cc2)sc(C(=O)Nc2ccccc2)c1C 603728258 GGSYMPSIZSSEOV-UHFFFAOYSA-N 493.610 5.229 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 603738802 RCDXJLNOSHYAJO-UHFFFAOYSA-N 453.498 5.697 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1Cl 603766023 JQSIFMXTDIKTSY-IBGZPJMESA-N 486.018 5.094 30 20 JKED N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 603976878 ZZMHXVRTJNDVPK-UHFFFAOYSA-N 454.722 5.507 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 604497943 BILOBDKTJNOPDM-UHFFFAOYSA-N 460.562 6.360 30 20 JKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 604519957 ULKWZVMPJFSQFB-SQHAQQRYSA-N 456.611 6.090 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1 608777896 MWCXNGXDTUAYNB-UHFFFAOYSA-N 451.482 5.585 30 20 JKED N#C[C@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(OCc2ccccc2)cc1 609171812 CWBRWWQPEJCKOC-NRFANRHFSA-N 464.447 5.015 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccccc1F 609370837 BACUEQYLRRNUQU-INIZCTEOSA-N 467.595 5.395 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2ccccc2Oc2cccc(F)c2)CC1 609375742 VPRZILBQVGKIPB-UHFFFAOYSA-N 486.503 5.270 30 20 JKED COc1ccc([C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)c2ccccc2)cc1 610164954 DGLOQFQQKFTRJL-LJAQVGFWSA-N 478.596 5.351 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccc2ccccc2n1 613290594 IAJDINSDERFQIV-IBGZPJMESA-N 470.326 5.740 30 20 JKED N#C[C@H](C(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)c1ccc2ccccc2n1 613292526 NUIABTFPRJLPRA-FQEVSTJZSA-N 488.316 5.879 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(Cl)cc1 617896712 ZAGKMLTUEMITLT-MRXNPFEDSA-N 455.027 6.029 30 20 JKED O=C(Nc1ccc(OC(F)F)c2ncccc12)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 617936693 DMNCCCJDLOTVKF-UWVGGRQHSA-N 471.348 5.867 30 20 JKED CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620051127 HHQAVQHKTZZUON-GHMZBOCLSA-N 494.354 5.068 30 20 JKED N#C[C@H](C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1nc(-c2ccccc2)cs1 642281394 DRMGJTPYWBYKBE-JOCHJYFZSA-N 485.590 5.052 30 20 JKED COc1cc(OC)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 642281808 RRIBKEGJTYDTOG-AWEZNQCLSA-N 463.342 5.633 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 726114767 YWSXXNNJOBDLRI-VGOFRKELSA-N 495.674 5.611 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1=S 726592733 QTOYJUSQOYXVQH-SFHVURJKSA-N 494.571 5.432 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2Cl)cn1 726889136 PTFZSQUOOYMKAC-HXUWFJFHSA-N 498.967 5.043 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)cc1Cl 726889652 FWRFINDGHKLZCV-GOSISDBHSA-N 499.942 5.488 30 20 JKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc2ccccc2n1C(F)F 727628561 NNXDHAOROWQMES-OAHLLOKOSA-N 451.502 5.134 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 728034284 CECSUHDQFODIHO-FQEVSTJZSA-N 484.478 5.405 30 20 JKED N#C[C@H](C(=O)C[C@H](c1ccccc1)N1CCOC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 728411943 PSPCTTRZAGCBJB-YLJYHZDGSA-N 486.380 5.877 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 728412802 WQGNRBROUGYBDJ-KRWDZBQOSA-N 484.261 5.100 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCCOC3CCCC3)C2=O)cc1 728421326 SNHOLWUABKLHIK-HSZRJFAPSA-N 494.592 5.007 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(CCCCC#N)C2=O)cc1Cl 728777688 MQHMEOSJHHZZNG-NRFANRHFSA-N 485.009 5.311 30 20 JKED CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1 728837787 ZQPQSVJEHXIWFO-UHFFFAOYSA-N 457.452 5.001 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)c1 729782006 YPTGMVMMFPQWQY-SFHVURJKSA-N 465.937 5.033 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c(Cl)c1OC 730433385 LUPVSNJTENGRPT-UHFFFAOYSA-N 473.769 5.005 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)c(OC)c1 730459005 DTWHMKDEBRLTJF-FQEVSTJZSA-N 491.972 5.009 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CCC2)cc1Cl 730462951 QYWIOHHNVLOSCT-LJQANCHMSA-N 473.385 5.378 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1cc(Cl)cc(Cl)c1 730688204 UKTGDKQQYNKQKM-AWEZNQCLSA-N 452.750 5.537 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2cc(C)sc2C)c1 730712491 MKNYQFLQTIGAPM-JXFKEZNVSA-N 479.631 5.185 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccc(Cl)s2)C1=O)Nc1cnccn1 730720146 OHAJJCZQLROHCE-OAHLLOKOSA-N 492.413 5.005 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 730982876 XVEUOJHXZDLQLC-UHFFFAOYSA-N 489.398 6.317 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 730990108 SJKHYNSGFQFMGN-UZUMKDMXSA-N 487.697 5.620 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)[C@@H]2c2cccs2)cc1 730994299 JCBPGBOIFOIJIP-JVFUWBCBSA-N 475.639 6.041 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)COc1ccc2oc3ccccc3c2c1 731060533 MFNKPSFOLPDXIE-QGZVFWFLSA-N 474.538 5.541 30 20 JKED Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1C 731063237 KVWWXJKTKCRIQQ-CQSZACIVSA-N 487.647 5.397 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(F)cc1 731063423 MFCDSBGZZJMJOX-QGZVFWFLSA-N 476.529 5.104 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1C1CCCCC1 731064910 SWJKQQCLNOJFEC-GOSISDBHSA-N 453.608 5.800 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731304228 MKYAXZZBLGVBSY-IBGZPJMESA-N 491.585 5.610 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2C)cc1 731308801 QAFRVVGOVYVJAP-XMMPIXPASA-N 489.597 5.178 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(Cl)cc1 731313302 WEKJCXHROFCSPB-JOCHJYFZSA-N 490.972 5.078 30 20 JKED CN(C[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 744340940 CYEXXZDJVYVEGU-QFIPXVFZSA-N 479.646 5.570 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc3cccnc23)C1=O)Nc1ccccc1F 744996545 CBFXLZGEYWPFAU-HSZRJFAPSA-N 484.556 5.534 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S 746050556 QCTVRAGEUXEWMR-UHFFFAOYSA-N 491.020 5.096 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(CC(C)C)nn2C)nnc1-c1ccc(Cl)cc1Cl 747403580 ZQOSZYWMEJZNIX-UHFFFAOYSA-N 479.437 5.101 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2cscn2)C1=O 747601326 GFZBYAZEYDEIIH-QFIPXVFZSA-N 494.642 5.436 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 748584892 VUYXOZDVYZSEHQ-QXMHVHEDSA-N 466.335 5.104 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2ccc(Oc3ccccc3)nc2)C1=O 749442837 HLHYQPUKFJAKLC-OAQYLSRUSA-N 495.004 5.104 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2ccc(N3CCCC3)cc2)C1=O 750909816 IRTGEKVOZKACSB-AREMUKBSSA-N 498.652 5.222 30 20 JKED CCOCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1sccc1C)CC2(C)C 765840370 SVLWCDPHTDDWOW-SREVYHEPSA-N 470.616 5.286 30 20 JKED COc1cc(/C=C2\CSc3c(F)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 767903588 GCWQFXZWPZOXNO-LFIBNONCSA-N 483.948 5.877 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)c3cnccn3)c2C#N)C(C)(C)C1 789918661 PRIWRYUNYLSSFK-PLNGDYQASA-N 490.610 5.353 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CC(F)(F)F 799212644 ZTHCGJVAUHMPFS-INIZCTEOSA-N 471.451 5.104 30 20 JKED COc1ccc(-c2nc(SCc3csc(-c4ccc(OC)cc4OC)n3)nc(O)c2C#N)cc1 824952494 BZOLJHFLKZMRCD-UHFFFAOYSA-N 492.582 5.162 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C)c3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 914446016 MRCAAUJAUMKCLX-ONPZBIKISA-N 497.595 5.246 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)Cc1ccco1 914692488 ZNWXUSGUGJAVKT-HTAPYJJXSA-N 465.550 5.319 30 20 JKED Cc1oc(NC(=O)COC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c(C#N)c1C 915032768 VXXMHSNYLFGULE-UHFFFAOYSA-N 486.311 5.123 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104577 SDNLDMUIGYSPET-CJNGLKHVSA-N 477.533 5.560 30 20 JKED Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)o1 915468008 AJMJGDJHJSNOKN-CYBMUJFWSA-N 455.561 5.098 30 20 JKED COc1cc(C=Nn2cnnc2-c2ccccc2)ccc1OCc1ccc(Br)cc1 915957374 VRITWPAXIHNDAM-UHFFFAOYSA-N 463.335 5.177 30 20 JKED O=C(O)COc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 916157936 XZGNNTVTIJAPTG-JXMROGBWSA-N 470.308 5.605 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@@H]2CCCO2)cc1 916207557 YZCDKFMQIHNITO-SIKLNZKXSA-N 469.582 5.088 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C(F)(F)F)c1 916217629 SAOYHYHPCHQFSF-IBGZPJMESA-N 479.524 5.011 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)cc1 916217746 WGMZQTJVBZQXCZ-LJQANCHMSA-N 476.385 5.319 30 20 JKED Cc1c(NC(=S)NN=C(CCCc2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 916541901 MXXBKAAUNJJOGC-UHFFFAOYSA-N 483.641 5.198 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1)c1ccccc1 916888565 WPJXDVPSTQWQNP-FOIQADDNSA-N 467.497 5.497 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2sc3ccccc3c2s1 916901907 SEOGXZAKJDXXOR-CYBMUJFWSA-N 454.960 6.048 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916906425 SYJOPUIVLBAMMG-HXUWFJFHSA-N 496.544 5.940 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916943331 WQVZYORUTMOVHZ-HXUWFJFHSA-N 476.323 5.202 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cs1 916946395 SXOIKAUFEKMIKY-LJQANCHMSA-N 476.410 6.012 30 20 JKED N#C[C@@H](C(=O)CCNc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1 916995265 DGAXGBVHYWUBAE-AWEZNQCLSA-N 461.330 5.704 30 20 JKED COc1cc(/C=C\C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCc1c(C)noc1C 917044094 PRCZBXMXSFDUKL-NCRRVARUSA-N 493.972 6.032 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)[C@@H](C#N)c4nc5cc(Cl)ccc5s4)nc(O)c23)C1 917045965 DSOJXXQUZVFBOQ-BXUZGUMPSA-N 483.018 5.594 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cccc(C)n3)C2=O)cc1 917664064 BVBNLGJWEWOJBQ-XMMPIXPASA-N 486.597 5.062 30 20 JKED CCc1cccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3cccnc3Cl)=C2C)c1 918056940 WRKYAMFLOUGWEB-HSZRJFAPSA-N 488.016 5.518 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1 918566313 NZDDTVHVRSZVJT-LJQANCHMSA-N 464.750 6.492 30 20 JKED C[C@H](c1nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=S)n1-c1ccc(F)cc1)N(C)C 918734199 WLLYWYYXXBIINN-MCIONIFRSA-N 499.500 5.185 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)o1 919512710 KKSAOBVHZMOOOI-UHFFFAOYSA-N 480.476 5.022 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 920101765 HXSQAHBSHXHBAU-SFHVURJKSA-N 498.461 5.212 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccccc2)no1 920354990 JFGZKGCLZXOGPV-HXUWFJFHSA-N 468.966 5.105 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc1 920745624 NJXYFFNNGIRKOR-UHFFFAOYSA-N 453.542 5.255 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 921102116 AELDPKPBGNMCCW-AWEZNQCLSA-N 459.980 5.326 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccc(F)cc4)cc3)CCC2)c(C#N)c1 1786027013 AYYMQTSLUOURQC-RRPNLBNLSA-N 497.570 5.186 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(Br)cc34)cc2)CCC1 1788445090 OUDYVJIPTKMRAL-UHFFFAOYSA-N 493.405 5.267 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)CCC1 1788687910 JQWLPWFXPSYLBN-UHFFFAOYSA-N 495.505 5.189 30 20 JKED Cn1ncc2cc(C(=O)Nc3ccc(C4(NC(=O)CCCC#C[Si](C)(C)C)CCC4)cc3)ccc21 1789084623 KAOCAZGXTHHDKR-UHFFFAOYSA-N 486.692 5.372 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C)nc4ccc(O)cc34)cc2)CCC1 1789242913 QJJLZGCOYLZMLO-UHFFFAOYSA-N 455.558 5.190 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4ccccc34)CCC2)cc1 1789512831 CFRGKKGCSKANTH-RDRPBHBLSA-N 490.007 5.108 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)CCc3ccccc3Cl)CCC2)cc1 1789577141 ABTQZPTZUWACSH-OGLMXYFKSA-N 463.965 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn(C)nc4C(F)(F)F)cc3)CCC2)c1 1789760482 HCZIXJYRARITDI-MRXNPFEDSA-N 495.505 5.127 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4c5ccccc5n5ccsc45)cc3)CCC2)c1 1790002598 MYSPETCKANWTNS-UHFFFAOYSA-N 479.565 5.415 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3=C4c5ccccc5C(=O)N4CC3)cc2)CCC1 1790007619 HAZSZCVEHGKOBC-UHFFFAOYSA-N 483.612 5.384 30 20 JKED O=C(C#Cc1ccccc1)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790710411 RKQZUQGKKMUDKK-UHFFFAOYSA-N 461.521 5.141 30 20 JKED COc1ccc2c(CC(=O)NC3(c4ccc(NC(=O)c5cc(C#N)ccc5F)cc4)CCC3)c[nH]c2c1 1790762154 UQNNHGPONWKFKF-UHFFFAOYSA-N 496.542 5.178 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cccc3s2)c1 1797651970 SWKGSEVZPUUBBG-QLIIJSOBSA-N 478.017 5.747 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(F)CCCCC1(F)F)c1cccc(C(F)(F)F)c1F 1797804170 CLTGHCUOYLRVML-MWBIGIAMSA-N 480.424 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)C2 1798592868 NCFSCGTZCMOKRT-REPLKXPHSA-N 461.528 5.431 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)cc2Cl)c1Cl 1800417272 VAXZQBGZDYQBFU-MUJYYYPQSA-N 496.316 5.449 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)[C@@H]2c2cccnc2)C1 1802418154 QREZORYZTMVUIT-PWUYWRBVSA-N 490.607 5.287 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cncc2Cl)[C@@H]1c1cccnc1 1802491505 GNPSOYLGENZXFW-DYESRHJHSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cncc2Cl)[C@H]1c1cccnc1 1802491517 GNPSOYLGENZXFW-UWJYYQICSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1802502122 FTDLJVHYGLLHSB-JKLQHZFJSA-N 479.587 5.449 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Br)cs2)[C@H]1c1cccnc1 1802504624 ZRXPLLZJLTUUMT-XLIONFOSSA-N 490.467 5.218 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1802948065 XPINNNLJNKCUCB-LSYYVWMOSA-N 484.644 5.261 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@@H]1c1cccnc1 1803210715 JZQKBJCVWRLUFC-FFHOAYQKSA-N 481.587 5.162 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)C1 1806025569 MAAMOGKWOWVRSL-QHCPKHFHSA-N 497.639 5.338 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4CCCCC4(F)F)C3)CC2)cc(C(F)(F)F)c1 1806207870 PTHLEQJHLJVYQG-FQEVSTJZSA-N 497.508 5.247 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1809244448 PMTUCLDBADTXDZ-YIXXDRMTSA-N 487.676 5.199 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(C)cccc3[nH]2)[C@@H]1c1cccnc1 1809795017 XADYGXDEDIHWAL-BWKNWUBXSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1810169139 UCYSFOVLFAPJLU-FVVBACEJSA-N 483.612 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810175364 QJAKZUMXEOZPNU-DUGXWYDLSA-N 475.658 5.470 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810272767 RANZPWPWIWVLGJ-QFQXNSOFSA-N 497.662 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1810494262 FVGVXIKBNDGARC-URXFXBBRSA-N 487.566 5.341 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)[C@H]1c1cccnc1 1810503477 RFYGPRDRGXRGOD-CTCXMXBXSA-N 482.024 5.152 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810590824 KGCHQZPFOPVBMA-WIOPSUGQSA-N 498.067 5.834 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1811695944 WOKITHDIUPAAFQ-AMGIVPHBSA-N 471.626 5.270 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1)c1ccc(-c2ccccc2)cc1 1813953082 WSLIDZFZCWURER-VEEOACQBSA-N 485.587 5.120 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)c(F)c2)n[nH]1 1814672719 TWNSXVLWOQNMQL-NRFANRHFSA-N 458.965 5.205 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)[nH]n1)c1ccccc1 1814930777 BVCWNMSXHSRUEV-SQHAQQRYSA-N 487.579 5.095 30 20 JKED CCn1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c2ccccc21 1817753230 MRYSNCUXEXGSJA-MHECFPHRSA-N 495.587 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3c(Cl)cccn23)n[nH]1 1817783524 FSOIERVAKSQRQX-GOSISDBHSA-N 468.989 5.009 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1)C(F)(F)F 1818606709 BERIQRUTAATCFX-AWEZNQCLSA-N 482.915 5.702 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]2)cc1 1818867931 LERDZQWQAKBCCF-QZNHQXDQSA-N 473.964 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)[nH]n1 1819303704 ZPPMGNDTULRHJA-RCZVLFRGSA-N 471.605 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1819304962 AQOGFBWQPCDQGG-JTSKRJEESA-N 465.985 5.619 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)[nH]n1 1819308987 JQXQJAJWNSSBFZ-HNAYVOBHSA-N 466.973 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(OC)cc2)[nH]n1 1819309967 MOOFQLNIDMXVKX-DMJRHOSBSA-N 462.594 5.282 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1cccs1 1820223625 NEGPYQVJWOBECV-KSSFIOAISA-N 467.982 5.106 30 20 JKED CCOc1ccccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1820452965 CTDKOVYCOIYUKD-QFIPXVFZSA-N 480.685 5.165 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC3CCC(C)(C)CC3)n[nH]2)c1 1820979095 SUBULDUVOAMREN-HSZRJFAPSA-N 477.609 5.202 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CC1 1821243119 WPNKMARCLPXXJT-KKSFZXQISA-N 496.409 5.096 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)c1Cl 1822020066 MRINYBBRRQZWJT-JIYIMXKPSA-N 465.985 5.067 30 20 JKED CCCCCc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)cc1 1822284833 FECOVVUWRDFRFF-CSLYNHGHSA-N 489.620 5.089 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]n1 1822399877 RPYJLBGPRLUHMG-VWLOTQADSA-N 465.557 5.507 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CSC3CCCC3)[nH]n2)cc1C#N 1823291459 SOGXTKDIZPOLJT-JOCHJYFZSA-N 495.649 5.050 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 1823299018 BBRLDXQULYQHRK-FZKQIMNGSA-N 452.452 5.086 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCC(F)(F)C3)CC2)cc1C#N 1823698615 ZWCROKPRCKOWPC-JTHBVZDNSA-N 487.591 5.014 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1824140659 BUHDVBFPGGNMMW-ANHREMPLSA-N 489.704 5.753 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1824539291 VFPLTGXEALVPAF-DENIHFKCSA-N 462.656 5.228 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)oc2ccccc12 1828124915 KVVIAKNBILNGEH-LEQVUBRHSA-N 490.625 5.475 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1828399877 CAEYQNQXOHXTNR-SDHSZQHLSA-N 455.042 5.257 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1)c1ccc(O)cc1 1828412445 CBRYOXYNZMXGPA-AOYPEHQESA-N 482.640 5.181 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc4c3CCCC4)CC2)cc1 1828569461 RDBMMRUZYQDDMW-XMMPIXPASA-N 461.631 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 1829068234 LWZHIUFPAJXVOA-DEOSSOPVSA-N 484.681 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1 1829068450 XCTVRMIBFHHXEP-HSZRJFAPSA-N 479.036 5.470 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1 1830099163 WCQQIXSOJXFBKI-MUUNZHRXSA-N 487.644 5.213 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cc3ccc(F)cc3)c2)CC1 1830450717 SAEZOYFVPPVMMI-MHZLTWQESA-N 460.593 5.063 30 20 JKED O=C(c1cnccc1F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602111 QSVWHLGIJCZPPS-LJAQVGFWSA-N 495.598 5.168 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1830628965 QQOZZCQMSXLJPQ-AREMUKBSSA-N 498.652 5.423 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830802552 GVUCQDAEVMVCOT-BJKOFHAPSA-N 492.582 5.716 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)c1 1831287731 QQXBOVHFDCKXPS-RUZDIDTESA-N 476.020 5.177 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2OC(F)(F)F)CC1)C(F)(F)F 1831451213 OPXHUUKNXOQWOC-KRWDZBQOSA-N 496.423 5.076 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)CCCCC)CC1 1831462046 CVEXQFQORSUNSZ-NHTMILBNSA-N 491.717 5.292 30 20 JKED COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1C 1832538733 HGEYBJSQXBDHNW-HSZRJFAPSA-N 480.008 5.076 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c1 1832609445 CZZJCAYWDYRSNT-VWLOTQADSA-N 464.009 5.262 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1832630155 GKEQSBWRNYKPTF-CHDQVWAWSA-N 489.641 5.048 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1832669899 DQQBERRAGWFFDW-AREMUKBSSA-N 494.035 5.086 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2cccc(C)c2)c1C 10169077 PGAYXYYQZKACIP-UHFFFAOYSA-O 464.611 5.072 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10829779 MMGAXLUREAGHRY-UHFFFAOYSA-O 483.632 6.878 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)c(Cl)cc1Cl 11371909 ZXGDQTOOUYLSRU-UHFFFAOYSA-N 474.369 5.333 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(F)c2)nnc1-c1ccc(Br)cc1 16832648 SZXHCINUYIIERZ-ZDUSSCGKSA-N 461.360 5.152 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)nnc1-c1cccnc1 18405197 TZZCUHXVRCLQHE-UHFFFAOYSA-N 475.593 5.301 30 20 JKED Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)Nc1ccccc1SCC#N 22142224 CPRMZDMJGYCQMG-UHFFFAOYSA-N 467.550 5.621 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)c(C(=O)OC)c2)nnc1-c1ccc(Cl)cc1Cl 26347871 QCLRQOXUKKJOFK-UHFFFAOYSA-N 495.363 5.094 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28649118 POIXPCGJTLEHRH-UHFFFAOYSA-O 461.607 5.700 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)/C(O)=N/c1nc(-c2cccnc2)cs1 29241757 CIABHDICDRFDAD-UHFFFAOYSA-N 471.464 5.497 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)CC2)cc1 29569543 CRWHZEMPRIJARO-UHFFFAOYSA-N 480.543 5.367 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 32697746 FWKPHIXXNQGMJQ-GOSISDBHSA-N 487.585 5.039 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1 195622634 OSUWAEHGFGBQJS-UHFFFAOYSA-N 459.933 5.279 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)s1 303008444 IWXBTOZVZOWXNN-UHFFFAOYSA-N 460.559 5.147 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)c2)c1 409794563 UZJRHXQEZRAZHK-RDGATRHJSA-N 454.530 5.100 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccn(-c4ccccc4F)n3)s2)c(C(F)(F)F)c1 487389764 PCXHPDMLEVZQNM-UHFFFAOYSA-N 471.439 5.201 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1Cl 499195832 UFARGMVMSOENLE-KRWDZBQOSA-N 472.961 5.529 30 20 JKED COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)CSCc1ccc(C#N)cc1)CC2 499232699 UCUPVXIYUOYDCY-UHFFFAOYSA-N 487.625 5.006 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 499624325 FJRSFQAQJNHXFA-UHFFFAOYSA-N 464.550 5.287 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 500075546 SMDPEGRWBQQSTA-UHFFFAOYSA-N 489.004 5.017 30 20 JKED Cc1ccc(-c2ccc(CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C(C)C)s2)cc1 501573845 YRKIHZDWOOVVEC-UHFFFAOYSA-N 480.655 5.852 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2coc(-c3ccc(C)cc3)n2)cc1 503373011 MUGCIVLAZWIKKO-UHFFFAOYSA-N 468.513 5.687 30 20 JKED CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 505719486 LWYCCQLULDNUBI-DEOSSOPVSA-N 474.992 5.847 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)nc2ccccc21 507015468 AAADRQFIEGVGNK-FQEVSTJZSA-N 498.608 5.183 30 20 JKED CCN(C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3)[C@H](C)c1ccc(C#N)cc1 509565249 UZFUOSUZWNTIBR-MRXNPFEDSA-N 480.659 5.380 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509673633 PWALWBUSIHEPQF-QHCPKHFHSA-N 492.373 5.506 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509682501 OVOUSIIXZYXOIL-HSZRJFAPSA-N 459.571 5.149 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCOCC1 510843780 XHDPNSWKVPOPHF-UHFFFAOYSA-N 485.584 5.846 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 511002026 UBJHOIPUCXVMMC-UHFFFAOYSA-N 479.911 5.760 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2c(c1)CCC(=O)N2 511314943 LJLRMOMKERWSRR-SFHVURJKSA-N 454.530 5.099 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(CN4CCSCC4)cc3)c2)cc1 512234314 MEBLEGFDNIBBEL-UHFFFAOYSA-N 457.599 5.133 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1cc2ccccc2o1 516722433 NLFHKKLBFMQOOE-MBSDFSHPSA-N 485.971 6.290 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 517108136 VURGTETVPZVBHX-UHFFFAOYSA-N 496.527 5.216 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 517529406 RPIFRDAKIJXNJT-LJQANCHMSA-N 465.517 5.107 30 20 JKED COc1cccc(/C=C(\CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2nc3ccccc3s2)c1 518241078 UNVMSLJCZZKJJG-XSLGSPGOSA-N 499.661 7.269 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 518683085 IDOWLNKOGDEIDN-QFIPXVFZSA-N 470.642 5.877 30 20 JKED Cc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1NC(=O)c1ccccc1F 518871121 WLTAWUPHORZTHD-KRWDZBQOSA-N 491.494 6.278 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OCc1cscn1 519027447 KMKZNLVDMBXIED-UHFFFAOYSA-N 457.511 5.647 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 519500186 TUBUYVBMLCAZGS-LJQANCHMSA-N 493.011 5.669 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1cccc(C(F)(F)F)c1 520428908 BNWMZSYCGCNKOU-HNNXBMFYSA-N 488.441 6.091 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 521734695 QVJFHPCNLMIJMP-UHFFFAOYSA-N 478.477 5.995 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1 523273759 ZIVYJDHNWMVBTD-UHFFFAOYSA-N 468.465 5.290 30 20 JKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H]3CN(Cc5ccccc5)C[C@@H]43)cc2)cc1 594654767 CUBMJBJVVZKEQJ-XIIJWGSISA-N 477.608 5.528 30 20 JKED N#Cc1c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)sc2c1CCCC2 600840974 DMBBCOQGIAYAQP-UHFFFAOYSA-N 478.496 5.281 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N(CC(C)C)c3ccc(C#N)cc3)nc(O)c2c1C 603529172 WXJQCDZVVSUXQQ-MRXNPFEDSA-N 454.621 5.196 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 603738494 JQPQKEMOOIXWOJ-UHFFFAOYSA-N 462.303 5.231 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 603738502 KOOBSAKHZXCHNV-UHFFFAOYSA-N 466.472 5.698 30 20 JKED Cc1cc(Br)oc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603758596 STOOEYKKHIWDAY-UHFFFAOYSA-N 470.270 5.541 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)c2)cc1 603814605 NJFKWBAPZJTOPA-UHFFFAOYSA-N 476.458 5.788 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 603917252 JFYBMWJGRLYQFX-QZTJIDSGSA-N 499.665 6.096 30 20 JKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(F)cc1 604140517 MFILEDLTIYXWHJ-JOCHJYFZSA-N 460.509 5.117 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CC1 604468825 AKYPAUNVQQRVPZ-UHFFFAOYSA-N 497.477 5.589 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1 604474957 DSVMZDJUCXFUEA-RUZDIDTESA-N 468.601 5.365 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 608841652 SJJMFJGKNBBFMY-HXUWFJFHSA-N 483.503 5.951 30 20 JKED N#Cc1ccc(N2CCC(NCc3ccc(-c4ccccc4Br)s3)CC2)nc1 608983326 ZZUWVFLCCFLTLO-UHFFFAOYSA-N 453.409 5.203 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)c1C 609061241 MQNXNPMCLJKQHA-UHFFFAOYSA-N 494.551 5.369 30 20 JKED Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cn2)n1 609063255 TVCINNARTXCAOX-UHFFFAOYSA-N 457.921 5.241 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 609079207 OTPJEHBYAJMUCH-UHFFFAOYSA-N 494.595 5.279 30 20 JKED C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 609125580 IUTPOCRLAVYIFN-IBGZPJMESA-N 468.582 5.479 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc(C)nc21 609174639 QYXYAFHSXRSXKN-KBMIEXCESA-N 453.546 5.284 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 609191442 VSKUNUCRDZPJBY-UHFFFAOYSA-N 468.406 5.196 30 20 JKED CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 609208029 XVYZJYPBLDFXBC-FQEVSTJZSA-N 485.462 5.273 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 609384799 ZZXCOOKNHIFTEU-QFBILLFUSA-N 450.589 5.383 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)cc2)c1 609437275 XZBAZHJPCQRSPC-FQEVSTJZSA-N 483.503 5.951 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1cscn1)c1nc2cc(C(F)(F)F)ccc2s1 613405321 YDVCLDQYYDASKM-HNNXBMFYSA-N 459.474 5.841 30 20 JKED O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618903542 ZSYAEMHGAUUCHY-PJXYFTJBSA-N 488.354 5.922 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(CN3CCCCC3)cc2)cc1OC 675501430 TZQUXTVVVUCKBQ-UHFFFAOYSA-N 459.428 5.298 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2cccs2)C1=O 726109082 NNHPSEDTOXNSFX-AQTDBHCXSA-N 499.061 5.176 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726116107 BECWVOPNJWUGPB-PGRDOPGGSA-N 495.674 5.611 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccc2)cc1F 726413079 VWMCSHXULXVZDT-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)S/C1=N/[C@@H](C)c1cccs1 726419707 GPLZXBMYUVKYMO-UCSUXRFJSA-N 466.028 5.210 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S/C2=N\[C@@H](C)c2cccs2)cn1 726421065 NZXRDHRUJQZPSR-GDYZFOACSA-N 494.642 5.050 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2cccs2)C1=O 726422157 SZBKPEHXGVOTTO-PRLFLVJASA-N 485.656 5.408 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1OC 726509500 PZSDVFCIYUIKAZ-WQLSENKSSA-N 450.535 5.210 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(F)ccc2F)cc1 726570660 HXSWRXABLKDIMI-UHFFFAOYSA-O 456.925 5.663 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 726572360 ZTYFGDMLOJVDJT-UHFFFAOYSA-O 479.969 5.683 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)n2ccc(=[N+](C)C)cc2)c1 726573421 CKLHOWQMEXYNCZ-UHFFFAOYSA-O 476.625 5.492 30 20 JKED CCOc1c(Cl)cc(C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1OC 726595138 VZCRWQLTFPFANY-UHFFFAOYSA-N 456.713 5.655 30 20 JKED C#Cc1cccc(NC(=S)NN=Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)c1 727261517 JIINGWGXHIOPFQ-UHFFFAOYSA-N 487.532 5.148 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(NC(=O)Oc3ccccc3)CC2)c1=S 727430840 NAYNBYFJGGZYPR-UHFFFAOYSA-N 484.025 5.131 30 20 JKED N#Cc1cccc(COc2ccc(NC(=S)NC3CCN(Cc4ccccc4)CC3)cc2)c1 727981032 ZXBCVMSYHRCOHJ-UHFFFAOYSA-N 456.615 5.088 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 728063111 WFWBZGLBBSEIAT-OAQYLSRUSA-N 484.600 5.367 30 20 JKED C=C(C)COc1cc(/C=C(\C(=O)OCC)c2nc(O)c3c(C)c(C)sc3n2)ccc1OC 728696143 NRYAOLAOVTWNQY-YVLHZVERSA-N 454.548 5.081 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)c(C)n1C(c1ccccc1)c1ccccc1 728705360 VAADSPMVKQJXJA-UHFFFAOYSA-N 471.560 5.812 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCCCC#N)C2=O)cc1Cl 728777247 JTAFUNPHQGOGGQ-HXUWFJFHSA-N 470.982 5.003 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(CCCCC#N)C2=O)cc1 728777907 AHBUUXPQZDVQDX-JOCHJYFZSA-N 482.581 5.187 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)c1C 728778689 UNKNBKVIFSBSQR-QHCPKHFHSA-N 477.634 5.024 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)cc1 728778700 UPMHXHFONALXRR-NRFANRHFSA-N 482.993 5.197 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1Cc1ncccc1C 729634662 QGXDSBBHAIUFMD-XMMPIXPASA-N 488.613 5.122 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)n(C2CCCC2)c1C 729781966 YLIGCGKIXFCGLZ-UHFFFAOYSA-N 480.952 5.125 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)cc1 730443580 FVEQWAPQXOHDPT-QHCPKHFHSA-N 494.592 5.196 30 20 JKED COCCOc1ccc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1 730464348 PVAJDLJURZNIAL-QJOMJCCJSA-N 463.961 5.887 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c(C)c1 730713548 SXTDUJCCJOPDBK-DEOSSOPVSA-N 484.581 5.605 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cocn1 730714279 XXCZUYIPWLNBCA-IBGZPJMESA-N 490.919 5.075 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3OCc3ccccc3)n2)cc1 730921205 VVKUCKLXWOUENY-QFIPXVFZSA-N 454.551 5.953 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1F 730942018 ALKBIRJCZPYREW-BTYIYWSLSA-N 466.513 5.081 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](C)c2cccnc2)C1=O 730944020 PRTPGGKIFSLIRO-AOMKIAJQSA-N 495.004 5.465 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 731005057 GKBDRKQZXXTAPW-UHFFFAOYSA-N 451.482 5.259 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1 731076549 FOQRHDHZCXBJJB-CQSZACIVSA-N 487.553 5.064 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)c(Cl)c1 731308646 OVPMZXVRSZKUBD-LHSJRXKWSA-N 498.967 5.301 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(Cl)c2Cl)cc1 731339462 ZAHLHOGPAJQHSF-KRWDZBQOSA-N 461.326 5.148 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)cs1 745625652 CJPSNNCKAPMEDS-SDNWHVSQSA-N 460.534 5.665 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1nccs1 747603401 RLHBUULFCXQNDC-HXUWFJFHSA-N 482.606 5.048 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cs1)c1ccc(F)cc1F 747614900 OZEBUODXBHMMND-POHAHGRESA-N 499.930 5.545 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21 755296612 IUSRCRMKPZDGHW-UHFFFAOYSA-N 468.353 5.632 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)cc1C 837299437 IFCPNJDBATZRJC-XMMPIXPASA-N 478.662 5.137 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(C3CCN(C4CC4)CC3)C2=O)c1 837302008 OYTUNJWDSQGNGW-DEOSSOPVSA-N 494.636 5.030 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N([C@H](C)c2cccnc2)C1=O 837449551 SHKLGQRPAGXQFK-DVECYGJZSA-N 488.613 5.429 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@H](C)c3cccnc3)C2=O)c1 837886070 IKEFAXYVWGXOIS-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 877875577 OPHRRXAFENPPPY-NRFANRHFSA-N 495.583 5.480 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 911527077 VTHQDZFOQOPDQP-VIFPVBQESA-N 468.189 5.517 30 20 JKED C=CCN(Cc1ccccc1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1=S 914570428 KJAAPFGWBGISEO-NRFANRHFSA-N 459.619 5.387 30 20 JKED N#CC(CCOC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)(c1ccccc1)c1ccccc1 914885265 KHWNKAJGNJFMQV-WUKNDPDISA-N 478.592 5.382 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@@H]1c1ccccc1OC 915085095 GCHNDYYBNOWZEP-DURBRWELSA-N 495.623 6.069 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 915087499 UGXFHLRGZWVISB-MHZLTWQESA-N 493.588 5.346 30 20 JKED Cc1csc(SCc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)oc3ccccc23)n1 915100410 QBSRVEAWHCSKHW-MRXNPFEDSA-N 458.568 5.867 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915107342 QQVYFMNVJJSPPR-AWEZNQCLSA-N 476.277 5.042 30 20 JKED COc1cc(C=NN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c(-c2ccccc2)cc1OC 915270287 FBDASZPHMLYTBG-UHFFFAOYSA-N 481.464 5.062 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2cccc(C)c2C)cs1 915912436 SMEBVOQYKGTBBJ-UHFFFAOYSA-N 458.012 5.418 30 20 JKED Cc1ccc(N(CCC(=O)[C@H](C#N)c2ccc3ccccc3n2)S(=O)(=O)c2ccc(C)cc2)cc1 916848399 AMVORUYMKWPUSE-RUZDIDTESA-N 483.593 5.314 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916906517 CULYEDJSCUCXJO-DEOSSOPVSA-N 475.504 5.692 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916926966 AUXNFTUHHXGHSH-CYBMUJFWSA-N 492.771 5.922 30 20 JKED Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C 916927719 BXPWQIGNZVXGAN-MRXNPFEDSA-N 473.385 5.236 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 916950269 SNMSBVQIWXRFPZ-YCRPNKLZSA-N 485.531 6.232 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042549 CPKBBPPCDJEGCU-OAHLLOKOSA-N 459.449 5.231 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)Cc2cc(Br)cs2)c1=S 917457917 XWBWHLLKWWNENE-SFHVURJKSA-N 493.452 5.026 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C 917505640 OQVGHSBNIOLMPW-JOCHJYFZSA-N 494.551 5.175 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2ccc(Cl)s2)C1=O 917657780 QQDOZQVYLSIBOR-CQSZACIVSA-N 476.838 5.019 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(F)c(Cl)c1 920109910 KRVDCFSHBYNVGO-NSHDSACASA-N 454.335 5.208 30 20 JKED O=C(Nc1ccc(NCc2c(F)c(F)c(F)c(F)c2F)c(C(F)(F)F)c1)c1ccoc1 920402630 USCOMTDISNHGCZ-UHFFFAOYSA-N 450.285 5.858 30 20 JKED Cc1cc(CSc2ccccc2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)on1 920806648 MXJQZJSQSSWWBA-INIZCTEOSA-N 467.522 6.167 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 920869245 NWGSYXSVFSCIPU-JTSKRJEESA-N 471.598 5.192 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC1CCC1 920927719 UAAWMPCGQTYIRS-HXUWFJFHSA-N 475.536 5.774 30 20 JKED CCN(CC)c1ccc(-c2nn(CN(Cc3ccc(C#N)cc3)CC(F)(F)F)c(=S)n2C)cc1 921189031 ZLZHLZYJUOEOCP-UHFFFAOYSA-N 488.583 5.358 30 20 JKED C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1301055107 DZPYZCRMXZGRIF-UHFFFAOYSA-N 494.473 5.000 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]5CC[C@@H]4N(C(=O)OC(C)(C)C)C5)CCC3)cc2)C1 1785808057 JXPSRIMPSKYSPK-YGOYIFOWSA-N 493.648 5.122 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)ccc1F 1786041225 OCCFLZNAKNPXQC-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786102347 IQUSXBQVTDSQLN-UHFFFAOYSA-N 479.621 5.066 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)CCC2)cc1 1786366899 DXNMTVSAPQXMNW-UHFFFAOYSA-N 492.019 5.927 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3ccc4ncccc4c3)cc2)CCC1 1786556053 YWZMLYJWWQZUIY-OUKQBFOZSA-N 495.604 5.412 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CCC2)cc1 1787888568 ZVENYDMPFQVVEE-UHFFFAOYSA-N 467.850 5.549 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C[C@@H]21 1788529172 YOHUNQLAPWWBBV-VERUCKTNSA-N 485.839 5.009 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4occc4Br)cc3)CCC2)c1 1788718628 BOPQMLXEUYYCAY-UHFFFAOYSA-N 478.346 5.284 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CCC2)cc1 1789448770 GRGJYMKOETWISE-JOCHJYFZSA-N 483.653 5.582 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1789514999 XFUIRHBJIDXXJU-LQKURTRISA-N 496.036 5.169 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3c(CC)noc3C)cc2)CCC1)c1ccc(O)cc1 1789815457 GSAJYSXJCZMGSB-NRFANRHFSA-N 485.584 5.196 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)cc4C(F)(F)F)CCC3)cc2)c1 1790145806 FIMCGVILRLKLQO-UHFFFAOYSA-N 484.453 5.035 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)c2c1 1790290394 WDIBQEPCTIXPOL-UHFFFAOYSA-N 464.525 5.110 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccc(Br)cc4)cc3)CCC2)CCC1 1791479910 AHDGRVPVGRGPFI-FGZHOGPDSA-N 492.417 5.381 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C4CCC(CC4)N3C(=O)OC(C)(C)C)CCC2)cc1 1791583829 JTDHZCMMHIIBMS-QNAFOZIXSA-N 493.648 5.102 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)o3)CCC2)cc1)c1ccc(O)cc1 1791646753 SDWSLVBCNUCMLR-OAQYLSRUSA-N 456.542 5.239 30 20 JKED COc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1792106705 MWXNDKZAWXTCQE-GOSISDBHSA-N 471.532 5.523 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204059 JSTHTJFTQXZLBS-DEOSSOPVSA-N 491.632 5.223 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Br)c3ccccc3c2)cc1 1796721700 GXMRCSJNRUOILM-KOUNCHBCSA-N 488.385 5.040 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2-c2ccc(F)cc2)c1 1799432024 OFORAFWFSMGRJB-FUJBWUKOSA-N 482.559 5.080 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccc(C)cc4)CCCCC3)[C@H]2c2cccnc2)C1 1802414034 PBFHJDRYXLFYKW-IGKIAQTJSA-N 471.645 5.264 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(C)cccc3[nH]2)[C@@H]1c1cccnc1 1802500097 WHYQVEQCMRUOBW-SQJMNOBHSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[C@H]1c1cccnc1 1802937631 VIDLGHOBNVUPMZ-WJNCPCKPSA-N 463.597 5.023 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1803081254 IMNQGLHKHRXAHG-ISKFKSNPSA-N 451.998 5.131 30 20 JKED O=C(C#CC1CC1)N1CCCC2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1805888213 PCFIODNSHTZNSS-UHFFFAOYSA-N 471.626 5.155 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)ccc(F)c1F 1810277734 TUKLBHOAPDGPBE-LVXARBLLSA-N 497.662 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)[C@H]1c1cccnc1 1810505642 ZLGMFDLRTGLJQQ-OZXSUGGESA-N 492.639 5.133 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)[C@@H]1c1cccnc1 1813053323 TXIJJNFWPFXFRP-SETSBSEESA-N 490.607 5.124 30 20 JKED Cc1c(Cl)ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1Cl 1813768602 PWULWLUQXUDBDE-RDPSFJRHSA-N 493.394 5.202 30 20 JKED Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c1Cl 1813827326 KSGADRNTUYMVIL-CZZAQMAHSA-N 487.003 5.304 30 20 JKED N#CCC(=O)N1CC[C@H](CNC(=O)CCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814162894 XYQBMRPJLXQRDO-UHSQPCAPSA-N 474.649 5.365 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)[nH]n1 1814444003 NJGARMFGEHTFKR-ZCYQVOJMSA-N 479.669 5.477 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2ccc(OC)cc2)n[nH]1 1814729310 ZATYWXRUBRXWMO-PGRDOPGGSA-N 452.599 5.207 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCOc3ccc(Cl)cc3)n[nH]2)c1 1815684403 ONWIIFLJSWWOEU-QHCPKHFHSA-N 491.979 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc(OC)ccc3n2)n[nH]1 1818666401 MHSULKSFIVJEKM-RDPSFJRHSA-N 473.577 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)[nH]n1 1819311243 RVCOZJZUCASRJU-APWZRJJASA-N 456.974 5.146 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1819365787 RVNAQIWAKWBBII-VWNXMTODSA-N 488.588 5.081 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ncoc3c2)[nH]n1)c1ccccc1 1819518892 HZKAPDDYHIXIOS-ZJSXRUAMSA-N 481.556 5.054 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCC3)n[nH]2)cc1C#N 1820903478 VWNVRVIWXCASJP-UQNNOOFXSA-N 475.593 5.121 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]n2)cc(C(F)(F)F)c1 1821310177 MBJABIQOIDNJGT-FQEVSTJZSA-N 485.441 5.059 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)COc4ccccc4C#N)[nH]n3)sc2c1 1821525753 BAWDCGIVIHLQAQ-NRFANRHFSA-N 499.596 5.189 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821610714 XPGAMRFSARKIPA-NRFANRHFSA-N 474.586 5.534 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1)C(F)(F)F 1821994025 PRDCQHBCSYMBMR-AWEZNQCLSA-N 479.261 5.280 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[nH]n1 1822400942 XCWMXRDEJJSPEK-CQSZACIVSA-N 458.843 5.103 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(O)cc1 1822465409 PDBUIHHMWXTOOV-RXVVDRJESA-N 490.526 5.037 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c(C(C)(C)C)c3)[nH]n2)c1 1823210381 BEXKDWNZIBYNKY-VGSWGCGISA-N 472.593 5.282 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)s1 1823216673 ZATPTJLKYPHMBH-PFMUBIBJSA-N 473.602 5.426 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1823675051 ZDANAWKNRFNUIY-JOCHJYFZSA-N 485.415 5.116 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(Cl)c3)CC2)C1 1823701901 RXZJPJQHOMAUEN-QHCPKHFHSA-N 459.030 5.327 30 20 JKED CO[C@](C)(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1)c1cccc2ccccc12 1823711598 GCEYDGRKRZGWPC-GEBXHLAXSA-N 496.717 5.276 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)c1 1823987887 ZYNPXURSLIAPJI-AFMDSPMNSA-N 496.026 5.582 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 1824141150 IACXEKSAWVPBLC-DEOSSOPVSA-N 492.689 5.515 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1)c1ccccc1 1824241607 OJQDQFYFTMAOKY-KAYWLYCHSA-N 457.618 5.231 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)CC1 1824448923 OSKHVTAUUMWOSS-WKAQUBQDSA-N 464.650 5.187 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)CC1 1824648898 ZNSLZOFJIZEWQZ-PKTZIBPZSA-N 480.716 5.483 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3occc3n1-c1ccccc1)CC2 1825253083 GPEMTLIRUDDIOH-HNNXBMFYSA-N 496.539 5.117 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)n1 1825385188 FQLDVMCAWUEPMO-DVECYGJZSA-N 478.662 5.441 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC#N)CC1)c1ccccc1 1826693166 KZXKDFIYCZLWJV-YTMVLYRLSA-N 494.724 5.265 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)c1 1826779961 ALLWWNFSJVMZJI-AMEOFWRWSA-N 496.655 5.170 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)c2O1 1827514307 JQKMPVBQUNBCIL-MHZLTWQESA-N 499.655 5.138 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828096117 NCVAOCCOUUFRBU-QHCPKHFHSA-N 451.636 5.032 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3n2)CC1 1828707187 NWFJUOILIMCFNU-DEOSSOPVSA-N 496.449 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)CC2)c1 1828713206 FKBYMKRXEJJQDY-UUOWRZLLSA-N 474.630 5.404 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2O)CC1 1828830515 OIPPUYIONCDCPX-REWPJTCUSA-N 450.579 5.140 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cscc2OC)CC1)c1ccccc1 1829033269 TYFFTKWWKDFKOC-ZCYQVOJMSA-N 478.658 5.187 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829572568 ZBKRPUCTYDCKAZ-HYBUGGRVSA-N 489.616 5.252 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830451817 HEAUXJXCVZHETF-HHHXNRCGSA-N 457.618 5.176 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536338 GNUQBMMRGIEVOH-UZLBHIALSA-N 454.508 5.290 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)CC1)c1cccs1 1830576911 LMXBGFINFFUOBD-MHNQQFQPSA-N 489.012 5.213 30 20 JKED O=C(c1cscn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602102 QJMVWMODWKAUSP-HHHXNRCGSA-N 483.637 5.090 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c(Cl)c1 1830722424 IDRBKSZGAFQUOA-SANMLTNESA-N 476.020 5.636 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c(Cl)c1 1830722990 SZJXPZXIJFFBLN-JOCHJYFZSA-N 488.390 5.551 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C#N)CC1 1830781210 OGRYMTHBPZIACR-HXUWFJFHSA-N 450.410 5.085 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830830143 NTMGQKSVSCJZFO-JOCHJYFZSA-N 475.967 5.333 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1831376457 QZAAXOGWAUMCCR-HXUWBTBFSA-N 473.455 5.294 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)CC2)C1 1831804068 AIJYEHRGTMWIOL-HSZRJFAPSA-N 474.567 5.323 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2cccc(Br)c2)CC1 1831854484 DXTNSHQWUGFHRF-YKSBVNFPSA-N 487.482 5.051 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633130 CMIQMVHJQWCMSG-CLOONOSVSA-N 494.035 5.523 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc(C(F)F)c3)CC2)c1 1832634617 NQSSJJVYLKTDKZ-KOSHJBKYSA-N 480.559 5.193 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832706623 OSOHHCXWVZWTCY-IIBYNOLFSA-N 454.508 5.290 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1832800620 VPKPBQMVCVLKGS-TXTKFYIRSA-N 493.545 5.299 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)C#Cc4ccc(Cl)cc4)CC3)CC2)CC1 1836649296 YXNWXKDXYLYDDG-RQNOJGIXSA-N 499.095 5.153 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4ccccc34)CC2)CC1 1836696334 FEZONFXIFKOKPC-UHFFFAOYSA-N 460.618 5.220 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3oc4ccccc4c3C)CC2)CC1 1836696453 UDSUCHBZSUOWRM-UHFFFAOYSA-N 464.606 5.122 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)CC1 1838743068 AKTNFZMNQDHWSG-UHFFFAOYSA-N 493.475 5.118 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1ccccc1)C2 1844253217 FYTNYSGOOWSWRA-UHFFFAOYSA-N 474.677 5.347 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Oc4ccccc4)cc2)C3)c1Cl 1844735936 YJSDVLSGPXEZLH-UHFFFAOYSA-N 471.944 5.135 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)cc2)cc1 10832049 YPXJGMXPVYFOAI-UHFFFAOYSA-O 459.969 6.254 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)cc2F)cc1 11249795 MKBCSQQOAWJGLA-UHFFFAOYSA-O 479.616 6.696 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)n(C2CCCC2)c1C 12239475 YDMREQBVARKHDG-UHFFFAOYSA-N 469.014 5.271 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 14872539 ZXOAQKBNBPNONK-UHFFFAOYSA-O 476.456 5.140 30 20 JKED CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2-c2ccccc2F)cc1 20066733 IQVPKYNZJUBJSQ-UHFFFAOYSA-N 487.560 5.269 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccoc1C 21140642 AHDSMCNSLAQROJ-SFHVURJKSA-N 451.596 5.142 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 21141529 HVPZNNGHTJMRPW-FQEVSTJZSA-N 484.625 5.526 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)cc2)cc1 22730494 LTINRBOKGWETJY-UHFFFAOYSA-O 457.541 6.346 30 20 JKED COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 22872781 FFHQQJOTUFZHJK-UHFFFAOYSA-N 488.588 5.280 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccoc1C 23871205 WIFLQCYUDJGYPF-GFCCVEGCSA-N 451.379 5.309 30 20 JKED CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 25938994 JMYRYIDMGQRXPC-UHFFFAOYSA-N 465.600 5.039 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccc(Br)c3)o2)c1 26338111 FJMUIUBIHOLCOY-MRXNPFEDSA-N 485.407 5.543 30 20 JKED N#CCc1ccc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 26383876 RGNDVIVCIYQJOW-UHFFFAOYSA-N 459.615 5.182 30 20 JKED COc1cccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)n2Cc2ccco2)c1 104579744 PQPBMHCUZBQDPX-UHFFFAOYSA-N 497.580 5.438 30 20 JKED O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1cccc(C#Cc2ccccn2)c1 105676332 YBZQQOCHFPUNFK-UHFFFAOYSA-N 491.576 5.112 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 116990588 QLCIDGCLLWAXIZ-FQEVSTJZSA-N 463.759 5.019 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)ccn2)cc1 481633774 ZNSWCNQVOWHMAB-UHFFFAOYSA-N 498.514 5.794 30 20 JKED CCOc1cc(CN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC(F)F 482723370 JKBLJAVMPDUWBB-UHFFFAOYSA-N 452.457 5.623 30 20 JKED CCOc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCC(=O)OC 482813355 PLBQKOSIMRGPRJ-NRFANRHFSA-N 478.932 5.198 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1Cl 487060076 JZSHUGZVLABVQD-FQEVSTJZSA-N 498.435 6.201 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)n1 488256239 XKGGRQRNHQBOQQ-MRXNPFEDSA-N 476.505 5.405 30 20 JKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)c1OC 489409744 PXBYLEYFLKRJGM-KNTRCKAVSA-N 453.542 5.115 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)nnc1-c1ccc(Cl)cc1 498462704 CNWISXWOOGBDLA-UHFFFAOYSA-N 496.036 5.060 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(OCCCC#N)c1 498781399 RASJWPYSHHGBTD-MRXNPFEDSA-N 455.967 5.938 30 20 JKED CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(OC)cc1 503551310 PCQGVCIZONQGJN-RUZDIDTESA-N 457.530 5.345 30 20 JKED CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510642933 DGODKGBWUADARH-UHFFFAOYSA-N 499.527 5.071 30 20 JKED Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511304450 IQYBAWLMQCMQIB-UHFFFAOYSA-N 469.520 5.287 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(I)c1 517461149 AQSBDCRVXIRVBB-UHFFFAOYSA-N 476.261 5.568 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(COCc4ccccc4)cc3)cc2)c1 517528289 XSOYVPCFCGQYKO-UHFFFAOYSA-N 491.547 5.322 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc(-c5ccc(Cl)cc5)no4)C3)cc2)c1 517530273 NPODXCKKTFSWBM-FQEVSTJZSA-N 499.958 6.465 30 20 JKED Cc1cc([C@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)nc(C)n1 517795645 JKOFPMJQMROTHU-KRWDZBQOSA-N 454.361 5.345 30 20 JKED COc1ccc(C[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2ccccc2)cc1OC 517913428 JWJKBFNXAZYJLV-AREMUKBSSA-N 485.584 5.112 30 20 JKED C=CCn1c(SCc2csc(-c3ccoc3)n2)nnc1-c1ccc(Br)cc1 518127586 FMUDDHJDVPWJIN-UHFFFAOYSA-N 459.394 5.902 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1cc(Br)ccc1I 518617922 XXXIZEWMIIMRCG-UHFFFAOYSA-N 477.165 5.335 30 20 JKED COc1cc(Br)c(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 519432866 DMDNNXVZWZKORW-AWEZNQCLSA-N 495.464 5.732 30 20 JKED CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 519508660 WQABPBNBCSNDSY-UHFFFAOYSA-N 460.553 5.066 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cn3c(-c4cscn4)nc4ccccc43)cc2)cc1 519991551 QNPYKYZWAXBPOM-UHFFFAOYSA-N 451.511 5.462 30 20 JKED COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@@H](C)C#N)cc(OC)c1OC 520094421 QAWZWQMQAQPXFH-YNGKYYQNSA-N 485.584 5.369 30 20 JKED CC(C)NC(=O)Nc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 520356132 BZMDQLBPIVWGDU-UHFFFAOYSA-N 487.585 5.071 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1 521208301 LQCIHKFTPSEPTR-NRFANRHFSA-N 459.615 6.358 30 20 JKED N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc(-c2c(F)cccc2F)cs1 521259691 UOIUUPHIKVRCFX-CQSZACIVSA-N 450.491 6.199 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4C(F)(F)F)cc3)CC2)c1 521367873 KWZVMNJXKUIQRO-UHFFFAOYSA-N 467.451 5.118 30 20 JKED C=CCc1cc(CNC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc(OC)c1OC 522326399 JVHVDZGQECPIBT-UHFFFAOYSA-N 488.588 5.384 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 523973281 NAQWFGPHCAWFRF-UHFFFAOYSA-N 489.575 5.596 30 20 JKED COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524441822 BFLZEDGATAKPHN-HSZRJFAPSA-N 461.949 6.168 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C(C)C)cc3)o2)cc1 550804788 NKTIHJFTPNSARA-UHFFFAOYSA-N 450.564 5.298 30 20 JKED C[C@@H](NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)c1cccc(C(F)(F)F)c1 590064546 AFIMKJAUQNRFHH-GFCCVEGCSA-N 473.410 5.162 30 20 JKED O=C(Nc1cc(F)ccc1Oc1ccccc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590143160 LAMFBGRKFCSAFQ-STQMWFEESA-N 450.354 6.213 30 20 JKED COc1ccc(CCNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 590545880 YADJLZMDBNHQNC-UHFFFAOYSA-N 475.364 5.030 30 20 JKED C=CCN(C(=O)c1ccc(SCc2csc(C)n2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 595984142 OUNDAZVBANQTHH-QGZVFWFLSA-N 476.631 5.109 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)s2)cc1 603566785 BSRLAVXIHPLOSJ-HXUWFJFHSA-N 485.396 5.156 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)cn2)cc1 603763539 DXWCPURJHCSQLS-SFHVURJKSA-N 495.366 5.543 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(C(=O)c4ccoc4)CC3)cc2Cl)cc1 604089753 IVCFOTMGMOWGGT-UHFFFAOYSA-N 464.909 5.023 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C1CC1)[C@@H](C)c1ccc2ccccc2c1 604435013 JWBYDAKHXDPVGX-NRFANRHFSA-N 458.606 5.330 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2Br)on1 604470240 DYEYEMMNBASUJQ-UHFFFAOYSA-N 470.323 5.259 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3nnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)cn2)cc1 604528253 DHSOBEOUMHBZCJ-UHFFFAOYSA-N 490.445 5.475 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1 609043171 BYRVHJVSPPLPLN-JOCHJYFZSA-N 457.574 5.365 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)o2)cc1 609054853 NMAYVSOAZUIMOX-UHFFFAOYSA-N 455.436 5.602 30 20 JKED Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1I 609057281 FDKFQTNNUAOUOX-UHFFFAOYSA-N 469.282 5.219 30 20 JKED C[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 609109923 VLFZOCZNNSYHBZ-UQBPGWFLSA-N 453.546 5.048 30 20 JKED C[C@@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)NC3CCN(CC#N)CC3)c2C1 609329356 IQJAIJWMXXWQJM-QWODIWHTSA-N 450.586 5.075 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 609405050 WXXVFXZPVLOOOB-PMACEKPBSA-N 457.599 5.214 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC 613392530 RXUSBVBKSGFMNG-MRXNPFEDSA-N 471.376 5.860 30 20 JKED CSc1nccn1-c1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 613403894 HYPVDUMULIEKFA-OAHLLOKOSA-N 458.490 5.713 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 615760743 SQICBZAPCYFZIU-UHFFFAOYSA-N 483.859 5.610 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc2ccccc2n1C(F)F 726321941 CKDVJYQNJOPNKR-ACBHZAAOSA-N 456.537 5.253 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 726392824 KICASKNGSYZECP-GCJKJVERSA-N 471.598 5.136 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CC[C@H](C)OC)C2=O)cc1 726394969 XPDVFCKCOSZVLO-KKSFZXQISA-N 490.025 5.124 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(CC[C@H](C)OC)C1=O 726396262 DKMKTQWNCYAOTQ-BTYIYWSLSA-N 490.025 5.042 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 726398586 KZUJECSOHLJBMI-UZUQRXQVSA-N 479.577 5.364 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 726572757 MWWQWOFNYJAMGI-UHFFFAOYSA-O 475.637 6.486 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 726573139 MZFGXDSLBOPOKY-UHFFFAOYSA-O 469.630 5.945 30 20 JKED Cn1cc(CCCN2C(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2)cn1 726735118 ADSFEGHHMOCPET-VWLOTQADSA-N 497.624 5.166 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCCC2)cc1Cl 726888908 CQXBVVWCRCDXQS-FQEVSTJZSA-N 457.983 5.252 30 20 JKED O=C(/C=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)cc1Br 727264155 OHCSLTNOMFAKGL-KXFIGUGUSA-N 469.148 5.083 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1I 728148164 WDDLAYDUMKSTKX-SFHVURJKSA-N 496.304 5.353 30 20 JKED COc1ccc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1OCCCC#N 728156867 HTOLXBLJHHQUHD-BWAHOGKJSA-N 473.554 5.226 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 728248384 KTOGERWFGRRWAY-UHFFFAOYSA-N 490.525 5.772 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(CCCCC#N)C2=O)c1 728780385 SARYXAQQALJHKV-OAQYLSRUSA-N 470.545 5.236 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3ncccc3C)C2=O)cc1 729631306 GOXDDNPTKKLUIW-HSZRJFAPSA-N 476.577 5.306 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1F)c1cccs1 729818438 SRGKOJPFUPOIHS-WJHGXSDNSA-N 492.601 5.349 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)n1 730692405 XTPDMCQCVVBUBI-MGPUTAFESA-N 458.898 5.109 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 730834873 UPJSFRVQBHADBN-NRFANRHFSA-N 456.489 5.333 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 731078678 PHSRPKRFJGEVNE-SFHVURJKSA-N 471.538 5.540 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(F)(F)F)c1 731304527 SUIRQACHXPDDAT-SFHVURJKSA-N 465.497 5.171 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 743525004 OFAXCGIWLFELMX-IMSXRSKXSA-N 494.636 5.030 30 20 JKED CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1=O 744767154 YZXVDRCGBVBTPJ-VWLOTQADSA-N 495.366 5.437 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1=S 745161828 GTXKITJNZVPQBT-QFIPXVFZSA-N 484.629 5.259 30 20 JKED CCOc1cc(/C=C\C(=O)c2oc3ccccc3c2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 747140974 UVRCDWNKMLFXLA-LUAWRHEFSA-N 475.501 5.528 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC1CCN(c2ccccc2C#N)CC1 747336857 JTWOQGHLNLKLCT-UHFFFAOYSA-N 470.520 5.408 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 748409077 GCAFDHGJPSAULK-SANMLTNESA-N 486.549 5.026 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1Cl 750303430 LVJOLEHRNFNXHN-IFMALSPDSA-N 489.881 5.749 30 20 JKED CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2sc(C)c(C)c2C#N)c(Cl)cc1Cl 821759850 RHWDWICVCPURMM-JTQLQIEISA-N 474.435 5.263 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N([C@H](C)c3cccnc3)C2=O)c1 837300109 ROAWYVYKUWILKU-BWKNWUBXSA-N 486.641 6.037 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 838313631 ZPIOFLSXAPEPSZ-CJFMBICVSA-N 486.641 5.982 30 20 JKED Cc1cc(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)nn1-c1cccc(C#N)c1 904472230 HTXMVTGEZRDSDH-UHFFFAOYSA-N 457.497 5.167 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(-c2nc(C)no2)c1 904580423 ZAJCUUVGUNHTHT-UHFFFAOYSA-N 457.861 5.099 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(F)cccc2F)c1 912706547 YGTFQQXYXXVGGZ-UHFFFAOYSA-N 492.931 5.260 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914439846 QASQRZIQYRBCLU-GZTJUZNOSA-N 493.031 5.259 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)Cc3ccco3)C2=O)c1 914690872 IDVLCHAJWWNTOY-AUSIDOKSSA-N 461.587 5.488 30 20 JKED COc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1OCc1cccnc1 915047971 LWTCZJKHBJSLAO-UHFFFAOYSA-N 481.581 5.176 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 915107368 RNMHSJDIDNYAMA-GOSISDBHSA-N 450.445 5.034 30 20 JKED COc1cccc2cc(/C=C(/C(=O)Nc3ccc4c(c3)OCCO4)C(=O)c3ccccc3)oc12 916156086 FNMNIELHRVISHF-LTGZKZEYSA-N 455.466 5.118 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccco2)C1=O 916206597 ZXFVIBLCOTZLIB-HXUWFJFHSA-N 487.940 5.241 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2ccco2)C1=O 916207751 JXCHTFVSKOGUSE-QFIPXVFZSA-N 463.559 5.066 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1 916215625 WBFFAIXSABAJLZ-GOSISDBHSA-N 478.401 5.515 30 20 JKED CC[C@H](CO)NCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1sccc1C)CC2(C)C 916571659 LOYATITVRIWEMQ-DKRLNXSXSA-N 455.649 5.067 30 20 JKED COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(C(=O)OCCCC#N)c2)cc1 916613362 VPJHKNQPZCZJNM-UHFFFAOYSA-N 498.988 5.205 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 916899903 XMSXOCVVGRMANV-XMMPIXPASA-N 499.954 5.190 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 916901791 QNJIUNHDKASVJP-QGZVFWFLSA-N 450.878 5.081 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905025 KYZJGRGJFHYXPD-HXUWFJFHSA-N 471.513 6.011 30 20 JKED Cc1nn(CC(C)C)c(C)c1CCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907433 HYFRSASUJCCRPP-QHCPKHFHSA-N 458.562 5.228 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916908189 LZZGJNKHDFJNHU-SANMLTNESA-N 487.515 5.891 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 916914722 SEKIWINHOQLBQS-RUZDIDTESA-N 478.552 6.016 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1Cl 916938966 DGYWUVQTRWTHRM-GOSISDBHSA-N 495.944 5.678 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C\c3cccs3)n3nnnc3-c3ccccc3)n2)cc1 916974977 SYJFAHLAPLVCHH-KURUZVKSSA-N 494.605 5.708 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917043502 MGLZUNCINRDPHO-SFHVURJKSA-N 452.457 6.237 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2c(C)c(C)sc2n1 917046147 GHYGRGVVHYRDGO-CYBMUJFWSA-N 459.021 5.848 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2cccc(C)c2C)n1 917669996 IKFRVPIRMZAZHM-JOCHJYFZSA-N 494.020 5.216 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 917699341 BHOQHMGJHHLIJI-RXFWQSSRSA-N 494.620 5.634 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 920328350 RKUGXRGFTUGTNQ-DHCBQETCSA-N 462.371 5.247 30 20 JKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)cc1C 920782992 IRGSNIUJTHCYIP-ZUSYLBMNSA-N 482.650 5.265 30 20 JKED C[C@H](COCC(F)(F)F)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 921254234 OHRGSWYDIXOULW-RDTXWAMCSA-N 499.942 5.268 30 20 JKED COc1c(Cl)cc(Cl)cc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 921259224 ZPVKEAQEMBVYDV-UHFFFAOYSA-N 478.188 5.650 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4cc(Br)ccc4c3)C2)C1 1778393687 ASWBWKWSHMUPPF-SANMLTNESA-N 499.449 5.038 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1)c1ccc(O)cc1 1785803357 QFUDFBSFUVRANI-LEWJYISDSA-N 480.555 5.459 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)F)c4)CCC3)cc2)c1 1786036229 SUBWSXYOLJVAKR-UHFFFAOYSA-N 474.511 5.271 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C3=CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786709755 LWMGYIWENYCJEN-UHFFFAOYSA-N 493.648 5.456 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3coc(C(C)C)n3)cc2)CCC1 1787025183 RUKIBHBXFHCJRB-FQEVSTJZSA-N 496.608 5.015 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4scnc4C4CC4)cc3)CCC2)c1 1787186262 GBUUVJPJSCQUAQ-UHFFFAOYSA-N 456.571 5.262 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)[C@@H](C4CCOCC4)CN5)cc3)CCC2)CCC1 1787947672 DHZGUJKPJJGQSP-RUZDIDTESA-N 498.627 5.064 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cccc(F)c3F)CCC2)cc1 1788650008 OWCYQMQTGCYZDE-VAWYXSNFSA-N 466.509 5.213 30 20 JKED CCc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508195 VVTBEAKZESWRAI-UHFFFAOYSA-N 465.670 5.344 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C)c3)cc2)CCC1 1790346887 BFRVHINEELFDSM-QGZVFWFLSA-N 486.410 5.306 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccccc4)CCC3)cc2)c(C#N)c1 1790475004 UBJRVSREZYJYGO-SXOMAYOGSA-N 479.580 5.047 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1)C(F)(F)F 1790746962 SOBSDZSJZUBKSD-UHFFFAOYSA-N 492.295 5.187 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CC[C@@H]4CNc5ccccc5C4)CCC3)cc2)c1 1790762660 NHKDYNCAFGGDCB-NRFANRHFSA-N 496.586 5.510 30 20 JKED COc1ccccc1CC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791354660 AADYVTRZUALRIE-HXUWFJFHSA-N 467.569 5.313 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(OC)cc4)on3)CCC2)cc1 1791727387 KIWRPMKSGQKJAT-UHFFFAOYSA-N 471.557 5.292 30 20 JKED C[C@@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1791907341 USNFTYBESYBQLF-FQEVSTJZSA-N 455.558 5.097 30 20 JKED CC(C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)ccn1 1792235667 FEIZBKWDPRDAIP-UHFFFAOYSA-N 482.584 5.077 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)c1 1796462447 IAELHKDGTZRWQP-KOUNCHBCSA-N 484.987 5.148 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 1799295986 PKCFNWRZCVWHTI-WKCHPHFGSA-N 478.036 5.212 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)sc1Cl)C2)c1ccc(O)cc1 1802424318 VHBZXXGXYZKTIR-ZJPYXAASSA-N 491.440 5.210 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(OC)cc3)CCC2)[C@H]1c1cccnc1 1802499745 IQMDAAZDNCTSGE-OZXSUGGESA-N 489.660 5.210 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1804163948 NKBKWFJFQCTEEG-ABYGYWHVSA-N 483.612 5.088 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1805687882 VOLRPJURVKVYBL-BNAYCWRJSA-N 498.627 5.541 30 20 JKED CC(C)(C)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1806307000 DUSZCTBCJAHDMZ-LMSSTIIKSA-N 479.624 5.237 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C)c4ccccc34)CC2)C1 1806681747 NYSMYMPROGDZDO-UHFFFAOYSA-N 464.675 5.231 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)CC1 1809276752 SHMFEZQGBMKEKY-UHFFFAOYSA-N 464.572 5.472 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810267709 NXKUAAUEENACJB-XIPGCIFSSA-N 493.749 5.304 30 20 JKED Cc1csc(CCC(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810275124 SIMCBDWHQHZNPL-WNCULLNHSA-N 495.765 5.141 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(F)c1F 1810276676 IFKHMVUMZALYJX-RLWLMLJZSA-N 497.662 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cccc2Cl)[C@@H]1c1cccnc1 1811710153 OHNQNTAXICRTJT-AVRDEDQJSA-N 457.977 5.186 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4)[C@@H]3c3cccnc3)sc2c1 1811888436 CUAYXFUGPIOKAW-BVAGGSTKSA-N 480.593 5.110 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1812002489 BVBMUDGAYWBCLA-HTAPYJJXSA-N 476.404 5.071 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1812438598 MVHJXOKUTSWBAZ-MVERNJQCSA-N 478.036 5.239 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)[C@H]2c2cccnc2)CC1 1812790900 YPBKGTUHPWABQM-UFUIAINPSA-N 472.633 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1813941716 OBAUIKAHPSGWLE-HTAPYJJXSA-N 475.967 5.325 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(C#N)cc2)n[nH]1 1814495662 CFROEQZLPDPDDB-JOCHJYFZSA-N 473.577 5.029 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1815218814 UJMQRIPZIAJCQV-XDHUDOTRSA-N 494.542 5.252 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817678391 VERRMCTXKXFVLU-IBGZPJMESA-N 484.025 5.747 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(CC)nc3ccc(Cl)cn23)n[nH]1 1817958130 PYNQMTRFJTUPKK-FQEVSTJZSA-N 497.043 5.572 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)[nH]n1 1819300692 HEGAGMIDWQXXJB-YJBOKZPZSA-N 462.381 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)[nH]n1 1819311273 SSLIZZZAHGZKAT-DYESRHJHSA-N 456.974 5.146 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1)C(F)(F)F 1820095209 COIRDKHRHPCCAQ-GOSISDBHSA-N 499.518 5.597 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3nc2Cl)n[nH]1 1820158699 DGPUTWRJLRHLFR-NRFANRHFSA-N 499.949 5.389 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(Cl)c3)n[nH]2)c(Cl)c1 1820501403 MORXUABEEHUWGF-HXUWFJFHSA-N 468.344 5.208 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)c1 1820586258 PPCPSACHVXAYCB-QFIPXVFZSA-N 495.505 5.239 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)c1 1821506974 KNGKWLDDRVWJTB-NRFANRHFSA-N 485.569 5.130 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1)C(F)(F)F 1821993285 YPLNYPBAXMRKSU-QGZVFWFLSA-N 484.906 5.275 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)[nH]n1 1822383743 ICNRROAJJRNQNU-IIBYNOLFSA-N 499.036 5.266 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2cccnc2)n[nH]1)c1ccccc1 1822913619 KVUIMLDNJIUOMV-AOYPEHQESA-N 483.616 5.017 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C)c2Cl)n[nH]1 1823139781 XMBOXSLMBZXUFE-KRWDZBQOSA-N 467.422 5.250 30 20 JKED COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1Cl 1823245253 MAHKQGUZXJLBEB-KSFYIVLOSA-N 491.979 5.318 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n[nH]1 1823295597 SGYKWDZDDHHORS-INIZCTEOSA-N 474.405 5.085 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053389 WDBDIXISLGOPPK-AVKMWPRFSA-N 473.617 5.116 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824478309 JLDFGWBIVFKKNB-XMMPIXPASA-N 476.803 5.333 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1824499994 ALCRAVKDCSDOFT-VPUSJEBWSA-N 472.645 5.168 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1824542241 UBXXDVKPOOUNLF-PKTZIBPZSA-N 474.070 5.076 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnccc2C)CC1)c1ccccc1 1825222755 FBMATCZKXUUDPS-VMPREFPWSA-N 485.672 5.140 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1 1826002901 ZSIUJKNRGNGRKP-JPYJTQIMSA-N 498.549 5.275 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC)cc2)CC1)c1ccccc1 1826851967 YBLOSCJVRZQSAR-VSGBNLITSA-N 471.645 5.159 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827265824 FPZWIYVMAXKXOS-OXQOHEQNSA-N 460.043 5.395 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827266551 NQJJBLJRVWUYLB-NRFANRHFSA-N 488.097 6.175 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc([C@H](C)C#N)c3)sc2C1 1827691802 VZBYFLPUQLJEBY-UWVAXJGDSA-N 490.654 5.177 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1827730822 QXLYTEDPLCBKQL-RUZDIDTESA-N 493.648 5.576 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1 1827923069 WQFNZHLYUGMBJI-XMMPIXPASA-N 481.662 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc3ncccc23)CC1 1829068452 XEBAFVXEGJEKMD-AREMUKBSSA-N 461.650 5.389 30 20 JKED Cc1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)sc1C 1829556894 CTPSXNIJBDOZMF-QFIPXVFZSA-N 473.759 5.044 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765780 PTRJEWDBTQHITI-KOSHJBKYSA-N 469.029 5.176 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)cc1 1830070665 DCGMPNLMCFHAGA-QHCPKHFHSA-N 498.549 5.082 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2F)CC1 1830083223 PMLRCGVQIUGWPL-QHCPKHFHSA-N 474.668 5.249 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830599722 NUGPZHULNCYGHI-JOCHJYFZSA-N 462.581 5.309 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)[nH]c12 1830628464 HLUNTWRZIMXJFY-AREMUKBSSA-N 468.601 5.090 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)cc(C(F)(F)F)c1 1830756813 XIYWLVSTQHUYER-QFIPXVFZSA-N 493.545 5.483 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)c1 1830768165 MHRUGUXFXFESKW-MUUNZHRXSA-N 492.623 5.476 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1831371062 SVGLMJWRVNEZLR-KBMIEXCESA-N 481.587 5.472 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1)c1ccc(O)cc1 1831924526 QAVBGUXHGGXLSR-WXVAWEFUSA-N 494.582 5.101 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1832033739 APIZYMCVXGPTSX-SANMLTNESA-N 468.707 5.432 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1832632027 ZSVHHRARJLWIPF-KPURRNSFSA-N 496.655 5.661 30 20 JKED CCOc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634030 QVDBUJODEFDIEO-RLWLMLJZSA-N 473.617 5.259 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 1832634470 MGAKXRXVTNCXGU-RXFWQSSRSA-N 478.036 5.443 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3coc(C(C)C)n3)CC2)cc1C#N 1832701687 OKTWSARFMRBSNH-XMMPIXPASA-N 492.620 5.004 30 20 JKED CC(C)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)CC2)cc1 1838535645 TZCXCUPCDTUAME-UHFFFAOYSA-N 494.035 5.261 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccc(C)cc1 10173127 RZRGRMNHQBWJQU-UHFFFAOYSA-O 451.615 6.563 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(CC)CC)cc2)c1 10174548 LQIDBBMCSNGXJF-UHFFFAOYSA-O 467.605 6.769 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)ccc1Cl 12194920 UZPMVRFCYDIYJW-UHFFFAOYSA-N 490.416 5.048 30 20 JKED C[C@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C(=O)Nc1cccc(C#N)c1 12744087 KSWQXZDNBMUJSZ-SFHVURJKSA-N 473.627 5.164 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4nc(-c5ccc(C#N)cc5)cs4)cc3C2=O)c1 14496986 WZIYXVAMLJYZBL-UHFFFAOYSA-N 478.533 5.352 30 20 JKED Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 17105538 LOUKYDCTWXPHDS-OAHLLOKOSA-N 451.621 5.206 30 20 JKED CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2-c2ccccc2F)cc1 22128577 CRWUKIIVVWWSHM-GKVSMKOHSA-N 481.597 5.007 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22692796 FHVXISPDFCQYLG-UHFFFAOYSA-O 469.577 5.287 30 20 JKED C[C@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccc(C#N)cc1 26129381 OZIBPFUYOWMSKL-XESZTULISA-N 468.538 5.884 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C2CCCCC2)c1 26954745 GUGZKPJPQJWGNY-UHFFFAOYSA-N 477.026 5.135 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)Nc1ccccc1Cl)C(C)C 32324867 KQZRMMGKJXJLEH-NRFANRHFSA-N 474.989 5.591 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(OCc3cscn3)c2)cc1 108012057 QIYDCSHLRDYGCG-UHFFFAOYSA-N 457.530 5.575 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1Sc1ccc(Br)cn1 195731529 HTPBTQVTASFQLB-UHFFFAOYSA-N 482.403 5.156 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)c2)c1 303272329 GOVGOJFZRWVANG-UHFFFAOYSA-N 459.933 5.151 30 20 JKED N#Cc1ccc(SCC(=O)N(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)cc1 484694459 HTFUDMCAUNVQOV-UHFFFAOYSA-N 467.953 5.110 30 20 JKED Cc1sc(-c2ccco2)nc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487327803 WDTBQKCPLFMACV-UHFFFAOYSA-N 474.489 5.902 30 20 JKED C[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl 494358863 CFVMUIOBJUZBHT-LBPRGKRZSA-N 476.295 5.309 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 501416902 JZGKXDVPPRAWPS-UHFFFAOYSA-N 459.640 5.553 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cs2)cc1 501449790 GAFGVVOQLZUVNO-UHFFFAOYSA-N 483.593 6.035 30 20 JKED CC(=O)Nc1cccc(-n2c(Sc3cc(C)c(C#N)c4nc5ccccc5n34)nnc2C2CC2)c1 502104058 FHNHUBTXTKGYKI-UHFFFAOYSA-N 479.569 5.235 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)o1 505325836 KFIOMZOCOYSTIY-NRFANRHFSA-N 454.486 5.148 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Oc5ccccc5C#N)cc4)nc(O)c23)C1 509655986 FCFVVTXQCWIBDN-MRXNPFEDSA-N 484.581 5.757 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1Cl 510007704 WPFDQIXARJXUPU-FYYLOGMGSA-N 481.021 5.252 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1Cl 510009235 GDQRTDWNIJGCAM-VWLOTQADSA-N 458.993 5.735 30 20 JKED C[C@H]1CCCN(Cc2ccccc2CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 511414022 JOUANEMMZUEYLF-QHCPKHFHSA-N 482.628 5.885 30 20 JKED CN(Cc1csc(Br)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 513523755 CMASJTHEEMPSMB-UHFFFAOYSA-N 470.392 5.820 30 20 JKED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515813003 CLIVNVOEPPGYTM-DNQXCXABSA-N 459.977 5.490 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 516061925 QFKPNNIJUDQUOD-UHFFFAOYSA-N 457.555 5.125 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nnn1-c1ccc(F)c(Cl)c1 517494303 YVYNPWXDYIXKQA-UHFFFAOYSA-N 475.911 5.266 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OC(C)C 517852818 CKGJKBRZTYGBEO-IBGZPJMESA-N 487.556 5.271 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 518207390 HLUXKTXTVRYHFR-FQEVSTJZSA-N 478.946 5.649 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)oc12 518559164 QNYNDNDTTYINKW-GOSISDBHSA-N 483.524 5.620 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 518753336 MRBBMEGJSKOKGB-KXBFYZLASA-N 460.397 5.449 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 523228239 PCQPLVXAALFQDE-UHFFFAOYSA-N 451.454 5.308 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 523967019 UDHPCSWXLVLVIZ-FQEVSTJZSA-N 492.535 5.662 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 551699767 AZEHIAATMWQVEB-UHFFFAOYSA-N 451.551 5.397 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)cc1 589303786 NOJJNOKNTFHJEB-UHFFFAOYSA-N 454.570 5.710 30 20 JKED Cc1c(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cccc1OCC(F)(F)F 589931590 GKYIMFFHHHSQHH-UHFFFAOYSA-N 461.337 5.532 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OCCCN(C)C)cc1 593498787 MBESUMRBPKQJPQ-UHFFFAOYSA-N 464.379 5.139 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2oc3ccccc3c2CSC2CCCCC2)CC1 603591839 YIAAZJIHZIPWGX-UHFFFAOYSA-N 490.629 5.698 30 20 JKED CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(c1ccccc1)c1ccccc1 603618809 QMCGZMBXXUGGSM-UHFFFAOYSA-N 480.568 5.661 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)s2)cc1 603829756 RBVHTMAWHFFQJS-KRWDZBQOSA-N 476.587 5.255 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 604248854 QMXVQZIFCMKJBC-UHFFFAOYSA-N 469.564 5.066 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1Cl 608850799 LMVNYUMFQASFKP-KRWDZBQOSA-N 475.353 5.221 30 20 JKED CCCCN(Cc1ccccc1Cl)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 608854821 HBPORYJVOBXLJV-UHFFFAOYSA-N 465.941 5.468 30 20 JKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccc1OCc1cscn1 609065116 XPVKJCAKKQKPGB-UHFFFAOYSA-N 471.538 5.434 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1nc(N2CCCC2)ncc1Cl 609151801 YRRPBIADDKPHGB-UHFFFAOYSA-N 452.345 5.102 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 609378130 SDVZAFZYRANGPC-WAIKUNEKSA-N 454.954 6.490 30 20 JKED Cc1cccc(COc2ccc([C@H](C)NC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c1 609439769 WZADPTWPVPYBAX-SFTDATJTSA-N 487.625 5.784 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc(-c2ccccc2)cs1 613392076 DIRVQPJSKBXUJC-LJQANCHMSA-N 465.456 6.506 30 20 JKED O=C(NCc1cc(F)ccc1Br)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615772574 NJPZTSBVMNAQHE-NXEZZACHSA-N 465.207 5.297 30 20 JKED O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300979 IDYJDIWJAUUURH-TXEJJXNPSA-N 492.420 5.338 30 20 JKED CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539345 ZJMCGDBYTKUORY-GHMZBOCLSA-N 451.333 5.366 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 641906628 JQKODPUYECMTQF-UHFFFAOYSA-N 488.575 5.370 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(C3CCN(C(C)C)CC3)C2=O)cc1 726422113 UWOZXRWEIDRDFL-WERVUXDOSA-N 498.718 5.319 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726422456 XPYLQSDJEOCFQU-PUHHMSNFSA-N 481.599 5.134 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)ccc2OC)cc1 726570488 BCPWOCIUSKOGMV-UHFFFAOYSA-O 479.025 6.092 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)[n+]2cc(O)ccc2C)c1 726573184 PFXQDBNIIWJVFR-UHFFFAOYSA-O 457.600 5.816 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 726725612 ABQSXBZWWPLXFV-ZEQRLZLVSA-N 479.502 5.813 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726888038 KQTNBNWWGSDDJJ-FOIQADDNSA-N 498.605 5.321 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1=S 727430766 DZEWYJZJBSSPGH-QFIPXVFZSA-N 498.027 5.465 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)cc1 727649639 BONSKICSZGHVGZ-XMMPIXPASA-N 484.581 5.058 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 727751312 OEMBSVLGPZGBSJ-XMMPIXPASA-N 457.530 5.607 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cc(Br)c(O)c(OC)c3)s2)cc1 727975384 SNTRFRWEJUSZGB-RUDMXATFSA-N 460.349 5.500 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1-c1ccc2c(c1)CCC2 728705381 WDWUHBARFKCWNK-UHFFFAOYSA-N 455.945 5.306 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)COc2ccc(C3SCCCS3)cc2)cc1 728724215 ZLQKQQPAHMERHD-IBGZPJMESA-N 484.643 5.121 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1 728738736 BCCWFQOECNFUHQ-FQEVSTJZSA-N 471.435 5.233 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3scnc3C)C2=O)c1 729143400 QTWNUCWYHPXSKC-OAQYLSRUSA-N 494.642 5.237 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H](c1ccc(Cl)cc1)C1CCC1 729144939 HDHLLHYGODIHBW-VWNXMTODSA-N 493.032 5.353 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCc2ccc(OCC#N)cc2)cc1 729242507 VTBCHTMPMUAAJQ-UCQKPKSFSA-N 483.549 5.303 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 729528898 IRGGIVIKUHXTGS-UHFFFAOYSA-N 455.499 5.401 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729572185 YYNKFCRUONCMGR-UHFFFAOYSA-N 463.500 6.315 30 20 JKED COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)sc2C)cc1 731060501 LPCNJLOTRDRTCM-MRXNPFEDSA-N 480.611 5.779 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C 731287591 GUFILBIAEARNGI-HSZRJFAPSA-N 459.509 5.238 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731311756 DRQACEYHBGCTPE-BVZFJXPGSA-N 496.592 5.662 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(N3CCCCC3)s2)c1 744761514 KXVOKNKBHNKNGW-UHFFFAOYSA-N 455.653 5.512 30 20 JKED COc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1OCCCC#N 747361640 UAGJOJNCNIRRCX-SFQUDFHCSA-N 472.929 5.358 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1F)c1nc(-c2c(F)cccc2F)cs1 748007481 VEENHMGXQLCXRN-ZDUSSCGKSA-N 497.361 6.100 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 748176738 XMNGSTUFSWRFPE-HXUWFJFHSA-N 465.410 5.333 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCCSC2=Nc2ccccc2)CC1 821735874 KKSDDFADEQZUJI-UHFFFAOYSA-N 475.536 5.211 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(C3CCN(C4CC4)CC3)C2=O)c1 837781810 XGLASUWFHQPSEZ-DEOSSOPVSA-N 494.636 5.030 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2SC)c1 855298325 AQISHGIGVLURLG-UHFFFAOYSA-N 473.019 5.696 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1C 914539671 GEDIDGJYJRZFBQ-HYBUGGRVSA-N 472.614 5.098 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccccc2COC(C)C)c1 914543782 MURDLFHWIWBKIN-XMMPIXPASA-N 479.646 5.029 30 20 JKED CC(C)OCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1Cl 914551472 DTKNFJRTDRUWFP-JOCHJYFZSA-N 486.037 5.065 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)Cc3ccco3)C2=O)cc1 914694590 PBPHIXGLUHNZJC-GAJHUEQPSA-N 475.570 5.074 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CC2CCC2)C1=O)Nc1ccccc1Br 915116468 HRCARUNPJNNFTP-IBGZPJMESA-N 490.398 5.349 30 20 JKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccc(F)cc1Cl 915511974 MOZPEJSSCFFEMY-HNNXBMFYSA-N 452.869 5.114 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)OCc2nnc(-c3ccc(Br)s3)o2)cc1 915512171 NSKGNECNENEIIK-UHFFFAOYSA-N 496.342 5.368 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)C[C@@H]4CCCO4)c3C#N)C(C)(C)C2)o1 915564406 VZNQYTQEWURENF-XSBJJCPUSA-N 480.586 5.350 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(CC(C)C)C2=O)cc1 916211759 PMDLSLGFDDDPDV-FQEVSTJZSA-N 489.544 5.107 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1Br 916211900 GPSZZMAWNNTUHS-QGZVFWFLSA-N 478.799 5.225 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(OC(F)F)cc1 916212107 SYXUWVKJUJGUGK-FQEVSTJZSA-N 489.544 5.251 30 20 JKED CCCCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 916875165 UIRSNWDWTRGTFE-FQEVSTJZSA-N 484.394 5.029 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 916905074 LXRRRHWUBCFRAX-DACFSCGWSA-N 493.563 5.078 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 916905077 LXRRRHWUBCFRAX-UPTOSOBMSA-N 493.563 5.078 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)nn2-c2ccccc2)cc1 916913204 VFLGOZVWYCRPOS-FQEVSTJZSA-N 470.916 5.162 30 20 JKED CCCCCCn1nc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c2ccccc2c1=O 916918445 PJCHFGPCTLONLV-QHCPKHFHSA-N 466.541 5.091 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1Cl 916938235 ISWSOBJTEKKLOH-KRWDZBQOSA-N 481.984 5.241 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c2cnn(C(C)C)c2n1 916939771 QYWBFBHCPBLXMI-IBGZPJMESA-N 489.938 5.741 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946573 YRUUCIZFJONJKV-KRWDZBQOSA-N 462.720 5.582 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 916949369 AVJKSSFCMQDYRT-OAQYLSRUSA-N 454.404 5.467 30 20 JKED Cc1ccc(C(=O)N[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C(C)C)cc1 916977205 MRLDQAHDEKHNAU-TZIWHRDSSA-N 451.979 5.403 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917044390 SWPLOUUUJPMJSQ-OAHLLOKOSA-N 463.506 5.172 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(Cl)cc(Cl)cc3C2=O)cs1 917560513 PGZVAPGVHQPQGT-AUWJEWJLSA-N 459.354 6.102 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2ccc3c(c2)CCCC3)C=C1 917615410 OLSKOKWCXKPTPA-UHFFFAOYSA-O 486.661 6.070 30 20 JKED C=CCN(Cc1ccccc1)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)c2ccccc2)c1 917657966 XNWXRXRKEAQBRD-UHFFFAOYSA-N 499.430 5.103 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2)c1 917675521 MFVRALGOAFCRJZ-VWLOTQADSA-N 487.625 5.610 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccccc2SCc2cccs2)c1 917691215 CPSHBRKTANGLPY-YYDJUVGSSA-N 485.656 5.106 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCOCC1 919904257 CHPDWZQGWUEILL-VWLOTQADSA-N 469.585 5.529 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)c(OC)c1 920108532 FYZCFDIDGYCBAS-XMMPIXPASA-N 481.552 5.441 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1C 920144179 YMRBSRTUOSMIJA-QGZVFWFLSA-N 475.624 5.662 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1 920819492 PZIKVVNEGOUVMI-NBGIEHNGSA-N 459.958 5.563 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1OC 920871676 XIGUIEKJGHEWGI-HOYKHHGWSA-N 491.613 5.091 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1779510702 YGYAOJFEWJFQQG-UFHPHHKVSA-N 499.051 5.720 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3F)CCC2)cc1 1786546754 ZMFYJKHQRNJVIK-QFIPXVFZSA-N 481.568 5.043 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccsc3)cc2)CCC1 1788184653 AATFPOZSTFDLRZ-QFIPXVFZSA-N 497.661 5.284 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C4\C(=O)Nc5ccccc54)cc3)CCC2)c1 1789461929 JQHQSHAAQVPPRW-DWGAWOTKSA-N 490.563 5.097 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(F)c3)CCC2)cc1 1789577685 WXXYWTOJZZQYMH-FDAWAROLSA-N 496.542 5.348 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(F)F)cc4Cl)CCC3)cc2)c1 1790147478 YQEXAZJIAAHFLN-UHFFFAOYSA-N 484.890 5.203 30 20 JKED COc1ccc([C@@H](C)C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)cc1 1790256487 ONWJGIPODDYADI-LJQANCHMSA-N 453.542 5.118 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4CC[C@@H]3N(C(=O)OC(C)(C)C)C4)cc2)CCC1 1790419106 VFRPMWZQIBKALD-CHOVIJNXSA-N 495.664 5.368 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)o3)CCC2)cc1 1790519905 LXKIKCKRIFIVBC-NRFANRHFSA-N 481.593 5.195 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccco4)CCC3)cc2)cc(C(F)(F)F)c1 1790785428 MYHFSPHKTAOVIZ-CMDGGOBGSA-N 479.458 5.631 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)CCC1 1790810799 RQBGBKOKKVXOJP-UHFFFAOYSA-N 473.495 5.459 30 20 JKED Cc1cccc2c(C(=O)Nc3ccc(C4(NC(=O)/C=C/C(=O)c5cccs5)CCC4)cc3)n[nH]c12 1790965532 NCPJGSFMVMEEAE-OUKQBFOZSA-N 484.581 5.120 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CNc4ccccc4C3)CCC2)cc1 1791727967 OATRWXSWAAAXMK-QFIPXVFZSA-N 457.618 5.379 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cn1 1792123300 SXQLFECMVXTEEG-FQEVSTJZSA-N 466.585 5.398 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792209530 GXYVTYKRKSYIOU-PKTZIBPZSA-N 481.637 5.008 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)C34CC(c5ccccc5)(C3)C4)CCC2)cc1 1792240745 RXZMTZLLYCFWNI-UHFFFAOYSA-N 491.591 5.193 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cc(Cl)ccc2Cl)C3)cc1 1792482930 XPHLGCOEIMZFLK-NUNAXRQHSA-N 484.427 5.069 30 20 JKED CC1(C)CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Br)c(C#N)c2)C3)CC1 1800234507 TWWLVJBLGZHOJI-WKCHPHFGSA-N 486.454 5.179 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(OCc2ccccc2)c(OC)cc1C 1800703139 ULPZGXXMINKHML-OUJCMCIWSA-N 476.617 5.047 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1803082760 YIKGMPDGZRKYKR-NTKDMRAZSA-N 495.048 5.433 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1)C(F)(F)F 1803228992 SQTQJCSDDNAESM-HJNYFJLDSA-N 493.957 5.299 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1803600834 DXMMKMIGDPIYHQ-CZAAIQMYSA-N 488.078 5.224 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1F 1803849940 PIRNNISDCLVBCX-REPLKXPHSA-N 482.594 5.147 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1804212819 JGZDZLNOUWCABN-GEWUYGHSSA-N 496.051 5.368 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4c(Cl)cccc34)CC2)C1 1804866923 YAPMODYPVWMWAU-UHFFFAOYSA-N 457.018 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1805696611 DZQKTIQHQIWAQP-SFHLNBCPSA-N 475.511 5.090 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4cccc(C(F)(F)F)c4)C3)CC2)c1 1806489369 IQUXRAVJBYGPCW-CMDGGOBGSA-N 481.518 5.135 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C2)CC1 1806489824 QVDDXVCMCJDXBF-VAWYXSNFSA-N 460.540 5.143 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807842979 GWJHAQUDLWNYME-IWVFXYMLSA-N 494.639 5.540 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1807965765 PMSQHAUSXKHPSY-KNQAVFIVSA-N 480.659 5.149 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC4(CCN(C(=O)C(C)(C)C#N)CC4)C3)c2c1 1810302797 HXDRKSNWQKUKRA-UHFFFAOYSA-N 479.621 5.034 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)[C@H]1c1cccnc1 1810502068 LFRXPPFYISEADT-RDPSFJRHSA-N 497.039 5.005 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)sc3Cl)[C@H]2c2cccnc2)cc1 1811105481 REQONPLYWKDJSI-WIYYLYMNSA-N 499.423 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1811206441 KOJCXSLXHDPZKW-INOCPDNRSA-N 480.612 5.232 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1813045001 DDJMTSHWHAIMCE-FMVDIBJOSA-N 492.063 5.518 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)C[C@@H](C)c3ccccc3)[C@H]2c2cccnc2)c1 1813869908 UVOGYVHTZCVBBG-PIIYTXLLSA-N 480.612 5.222 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1814303343 POSDIMPMZBEWOS-HVNZXBJASA-N 481.640 5.375 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Br)c(Cl)c3)[nH]n2)C1 1814397389 HJZMNXYXWVVLKS-SFHVURJKSA-N 477.790 5.098 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2ccccc2F)n[nH]1 1814851961 MRSGCGCQAIIWQS-NZQKXSOJSA-N 452.574 5.332 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1815207771 QEHVQSADQOWNSH-IBGZPJMESA-N 487.025 5.567 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815684290 LKLYGYLXYCYDOP-IBGZPJMESA-N 480.943 5.126 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(F)CCCCC2(F)F)n[nH]1 1818884688 BYAFOGJYNQMKMV-VGOFRKELSA-N 454.537 5.312 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1819387041 VRIHYOYRFSHFRO-HXUWFJFHSA-N 481.698 5.310 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[nH]n2)c1 1820207122 AZDUUXJEOQXTRT-DLRXVWRPSA-N 489.620 5.202 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1F 1820497226 CGENDSOMTVSPPK-HXOBKFHXSA-N 459.525 5.104 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1)c1ccccc1 1820547402 SPJVQBMHWLBQLL-ILBGXUMGSA-N 455.562 5.027 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)ON=C(C)C)n[nH]2)cc1 1820975578 AJRLVCJJSQGNGD-RDPSFJRHSA-N 481.641 5.178 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821071385 BOIMNNWVCRCNDS-FUHWJXTLSA-N 499.862 5.086 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)oc2ccccc12 1821182655 VXOCORTWKQWWFI-JOCHJYFZSA-N 467.529 5.150 30 20 JKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)cc1 1821223121 IDGPFFLLRIFKAG-QHCPKHFHSA-N 455.562 5.241 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)c(Cl)cc2F)n[nH]1 1821236516 GUIHHZIHZMMPBK-GOSISDBHSA-N 495.780 5.074 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)[nH]n1 1822389448 OHDQKDIZGHNWTN-JOCHJYFZSA-N 490.604 5.472 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1)n1cccc1 1823212185 LTHGZKFXIVJXLJ-WUMKDDEVSA-N 472.593 5.186 30 20 JKED Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823217497 LDOJNUNKPRXMEO-YADARESESA-N 455.562 5.273 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)CC1 1823751941 DYAMNUWSURCBPM-MJTJJFPGSA-N 466.691 5.486 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824159451 ACDCMRPYHVZUDT-QHCPKHFHSA-N 488.028 5.179 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824208275 LOFMDBSQKROIFR-PKTZIBPZSA-N 489.701 5.068 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824273074 SRPZULAFIVVREW-RUZDIDTESA-N 481.040 5.023 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1824957850 CLJUQOMJDRBMAQ-HXUWFJFHSA-N 460.640 5.193 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)s2)CC1 1825351388 NVNVIHYSJHKXPJ-HXUWFJFHSA-N 462.707 5.172 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3scnc3C3CC3)CC2)c1 1825649596 XMBPTKQFRXUWPM-WZONZLPQSA-N 476.646 5.195 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cncc4s3)CC2)C1 1827263720 TWIKBYRKDMJXFU-FQEVSTJZSA-N 458.027 5.149 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1827761844 AIPILXRIAPCHLO-GDLZYMKVSA-N 492.623 5.362 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nscc23)CC1 1828830069 KDPIZYGEZQDHPB-HYBUGGRVSA-N 451.636 5.298 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nscc23)CC1 1828907042 STVMWHWXFSTSON-RUZDIDTESA-N 495.765 5.581 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3n2)CC1)c1ccccc1 1829032047 INHJLKWFCJLNME-UHSQPCAPSA-N 494.639 5.060 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)n(C)c2C)CC1)c1ccccc1 1829033694 ZIEBHVROHWGZFD-XTEPFMGCSA-N 473.661 5.072 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)CC1 1829280687 LMQBVIDJYADEBB-OAQYLSRUSA-N 469.651 5.629 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829581559 BYGIBVMFTIDVDY-JOCHJYFZSA-N 461.631 5.191 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(Cl)c3)CC2)C1 1830517729 QIQMTYPDJHABDS-NRFANRHFSA-N 479.846 5.302 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cc(Br)ccc3c2)CC1 1830931680 WYZXBALOGZHIOM-KOSHJBKYSA-N 498.465 5.443 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1831369874 CTEQNHAXFICCLU-AVRDEDQJSA-N 450.545 5.080 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831842596 PIDPWYYYHWUTGW-IIBYNOLFSA-N 467.660 5.001 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c1 1832632538 SRXMARQGVHJDOW-CLOONOSVSA-N 486.641 5.470 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1832826592 WLLVAUKGEGBDSI-XMMPIXPASA-N 481.434 5.249 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1838718477 DOHYNAUKDMMYGG-HXUWFJFHSA-N 474.601 5.410 30 20 JKED O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841262476 PVMCMONTRYDVQL-UHFFFAOYSA-N 479.363 5.122 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 10170285 QHILZTQQINJGAC-UHFFFAOYSA-O 468.558 5.524 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 10173986 GSKXOVPCEQWPHA-UHFFFAOYSA-O 467.680 6.400 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1ccccc1CC 10174269 LDLHPWDHBXINQO-UHFFFAOYSA-O 468.440 5.912 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(-c3cccs3)n2)n(C2CCCC2)c1C 10847834 ZMPDOHFCYQPLAB-UHFFFAOYSA-N 468.604 5.001 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccs1 11182039 PLSDKQJUPVWDJP-UHFFFAOYSA-N 493.591 5.458 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 11247092 GYYVZSQXAKRHHZ-UHFFFAOYSA-O 469.605 6.317 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 11259302 KYKJEENIKOJYMP-UHFFFAOYSA-O 498.584 5.533 30 20 JKED C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 11385284 FGHXAYCAVNFBJT-BEXDPUPVSA-N 485.613 5.343 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)o2)cc1C 14045064 BXKDWAQTYVFVTJ-UHFFFAOYSA-N 457.559 5.363 30 20 JKED CC(=O)N(c1nc(COC(=O)c2c(C)oc(-n3cccc3)c2C#N)cs1)c1c(C)cc(C)cc1C 17187974 PBSFBAOCCCJUAP-UHFFFAOYSA-N 488.569 5.674 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccccc1F 20330240 GTKZHYNIEMHQBB-UHFFFAOYSA-N 450.539 5.305 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1cccnc1 22354024 UETCRYAHGPENRC-UHFFFAOYSA-N 489.004 5.330 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2sc(-c3ccccc3)c(C)c2c1=O 23298238 ZRSSTYWTCKYFKR-KRWDZBQOSA-N 491.638 5.747 30 20 JKED C=CCOc1ccc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)cc1OC 23778488 QBSILOYERNFNID-UHFFFAOYSA-N 456.542 5.538 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(C)c2)c1C 28793835 TUMNCFIJXFKWDN-UHFFFAOYSA-O 469.030 5.751 30 20 JKED CCOc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCCCCC4)cs3)s2)cc1 28936739 BASASGFJBINNKO-UHFFFAOYSA-N 456.637 5.986 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 105423746 IIWNKVVZVHJQEV-UHFFFAOYSA-N 458.374 5.430 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc4ccccc4c3O)c2)c1 110016820 BYXGZRBTQLKUMD-MHZLTWQESA-N 491.547 5.239 30 20 JKED Cc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1NC(=O)c1ccncc1 195722681 MDOJIFBDUGEOAT-UHFFFAOYSA-N 476.536 5.540 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1 303153300 GJSNZQPLEOHJDH-UHFFFAOYSA-N 470.598 5.332 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)O[C@@H](C)C2 409824806 ASBYVAWTQBVBSJ-YLORPAJWSA-N 482.580 5.796 30 20 JKED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)cc1 410041638 MQKHWEWROIXLIO-UHFFFAOYSA-N 481.577 5.465 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 482995335 ZOKBKACXIPHLML-UHFFFAOYSA-N 473.554 5.067 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)NC3(c4ccc(Br)cc4)CCOCC3)c2)cc1 483461530 CJLIYTZWGKDAIL-UHFFFAOYSA-N 477.358 5.549 30 20 JKED COc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 486771360 LEFRLUNCDXFKSR-UHFFFAOYSA-N 477.948 5.045 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 487994585 SNTZZHJPUPLXAD-UHFFFAOYSA-N 483.543 5.653 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)cc1 498358970 IHWGXAOCVJDUOK-UHFFFAOYSA-N 452.963 5.264 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 504762295 MMODDCHKINYNPU-ZHRRBRCNSA-N 458.949 5.763 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2ccc(Oc3ccccc3)cc2)CC1 504959938 RLZJHDUNOIJLAQ-UHFFFAOYSA-N 468.513 5.131 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 505530927 WRWDGVQARKBDJA-RBBKRZOGSA-N 452.501 6.155 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)CC1 506986405 PNAQRXKKWVWGJF-UHFFFAOYSA-N 484.478 5.233 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 508141096 FKUBPOWWOJCLTP-FGZHOGPDSA-N 457.599 5.799 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 508363171 VVPKWJYWTULULB-UHFFFAOYSA-N 458.440 5.251 30 20 JKED COc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1NC(=O)c1cccc(F)c1 508441621 JPZUUPLUFOAQNE-UHFFFAOYSA-N 495.510 5.790 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 509888723 CWCFQFANJHXZED-AREMUKBSSA-N 471.557 5.718 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)cc2Cl)c1 509953849 IMHSAKKULUHWGO-QHCPKHFHSA-N 474.973 6.158 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NC[C@H](c3cccc(Cl)c3)N3CCCC3)s2)cc1 510255372 NZWQZNDGHXYEOG-HXUWFJFHSA-N 499.065 5.314 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 512296439 QGCXVZSIWSWZJG-UHFFFAOYSA-N 488.950 6.265 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1ccc(C(F)(F)F)cn1 513176357 QDPABKFPOZLMAQ-SFHVURJKSA-N 452.461 5.530 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccccc2OCc2ccccc2Br)nc2ccccc21 513670778 BLTKIVSAKLUDAM-SFHVURJKSA-N 460.331 5.405 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 516023841 JCLVSSQXKVASAI-UHFFFAOYSA-N 494.363 5.038 30 20 JKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(OCc2ccccc2)cc1 517847842 BTBPBTZNZVAPBA-XMMPIXPASA-N 473.479 5.512 30 20 JKED Cc1sc(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)nc1-c1ccc(Cl)cc1 518155539 HFJHQXPEOKAHTL-CQSZACIVSA-N 485.034 5.279 30 20 JKED C[C@@H](c1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1-c1ccc(F)cc1)N(C)C 518653182 VKQKKNXDIWMQDP-SJORKVTESA-N 498.653 5.012 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCSCc1cccc2ccccc12 520193453 QLCJIUSUYMOUOL-GOSISDBHSA-N 463.628 5.222 30 20 JKED COc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 521738775 ARDWCCNRQUELRM-IBGZPJMESA-N 477.508 5.022 30 20 JKED C=CCn1c(SCC(=O)N(C)c2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1Cl 589025252 CHGZALPHBSJTRE-UHFFFAOYSA-N 469.344 5.471 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)ccc1OC(F)F 603660493 TVHJDUJUILYDSS-UHFFFAOYSA-N 473.398 5.163 30 20 JKED CN1C/C(=C\c2cccc(OCc3cccc(C#N)c3)c2)c2nc3ccccc3c(C(=O)O)c2C1 603748208 GACDTDXXXFMODU-LPYMAVHISA-N 461.521 5.370 30 20 JKED N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(Br)cc3C(F)(F)F)cn2)c1 603978891 IWIJURFZULAJET-UHFFFAOYSA-N 498.280 5.328 30 20 JKED Cn1c2ccccc2c2cc(S(=O)(=O)Nc3ccccc3Oc3ncccc3C#N)ccc21 604113481 KULIJPGHEHYVMM-UHFFFAOYSA-N 454.511 5.191 30 20 JKED Cc1cc(NC(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)n(CCC#N)n1 608941273 HGSFXWGQGIAZFE-UHFFFAOYSA-N 496.415 5.070 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1ccc(Cl)cc1Cl 609086417 GJODAYCPXQBHNR-UHFFFAOYSA-N 482.367 5.350 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1 609226811 DVKXHPOKSAOMLD-VWLOTQADSA-N 473.504 5.094 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2cccc(Cl)c2)n1 609389009 RVIVSWSMPNNIOI-HNNXBMFYSA-N 458.008 6.119 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1ccccc1Br 609437503 CCVLHBRGZGEYTC-IAGOWNOFSA-N 488.451 5.782 30 20 JKED C=CCn1c(SCc2c(-c3ccccc3)nc3ccccn23)nnc1[C@H]1COc2ccccc2O1 612653217 WCHDUJSVLOKTFK-HSZRJFAPSA-N 481.581 5.584 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1-c1ccoc1C 614508161 SOOLXXHLWVJIDN-UHFFFAOYSA-N 465.604 5.774 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)CC2)cc1 619221303 HLPPRVQNSPWQNT-UHFFFAOYSA-N 459.977 5.139 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(F)cc1C(F)(F)F)c1cccs1 726417187 ZDXMEGHOSMBODZ-WNCWLFKKSA-N 499.555 5.136 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2cccc(C)n2)C1=O 726423487 ZTSZNCZTRWDCNC-DYGTUWESSA-N 494.642 5.050 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)COC3)cc1 726570474 AMHMKQMFEVHKQR-UHFFFAOYSA-O 491.036 6.150 30 20 JKED CCCn1c(/C(Cl)=C\c2cccc(OCCCC#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 726743782 PAEHAIVBQXVOGP-LTGZKZEYSA-N 487.025 5.116 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1Cl 726891975 RKKPSCIWIDLCOI-FQEVSTJZSA-N 487.940 5.241 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1cnc(Cc2ccc(F)cc2)s1 727064520 ZWUFMKDXDRQNTR-UHFFFAOYSA-N 461.312 5.125 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N)c1cccs1 728778162 PIZDFHVRGXXQJQ-OLKASRBJSA-N 475.039 5.485 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc1 729111372 RHCPCOCDOJVSMV-XMMPIXPASA-N 467.481 5.258 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)cc1 729144099 BHIMIDGXMOWBCW-IBGZPJMESA-N 468.579 5.060 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1)c1ccc2ccccc2n1 730686835 QRVKINGOCKFVDB-CLOONOSVSA-N 475.317 6.133 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 730971516 VIOHHPDWZJAMTH-UHFFFAOYSA-N 481.474 5.490 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 731124354 VKZOWWPFSQNPEM-QFIPXVFZSA-N 494.611 5.446 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731305271 BJEULKJIFSLMHH-BTYIYWSLSA-N 480.977 5.162 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCc2cccs2)C1=O)Nc1cccc(O)c1 731305995 RAUXTBMXGZRDOU-FQEVSTJZSA-N 486.018 5.310 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2cc(F)cc(F)c2)C1=O)Nc1cccc(O)c1 731306730 OCFQNLMPFKWJHU-JOCHJYFZSA-N 499.514 5.013 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc3cccnc23)C1=O 744996867 HWFOVOHKOXNOGE-DEOSSOPVSA-N 496.592 5.404 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)c(C)c1 747601548 VSKUOQUTCBTIBE-FQEVSTJZSA-N 468.579 5.060 30 20 JKED C=CCc1cc(CNC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)cc(OC)c1OC 747780305 HFYCJLUAODDZMZ-UHFFFAOYSA-N 462.521 5.062 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1 750393886 AWJHGFMRGURGJG-PBHICJAKSA-N 485.972 5.148 30 20 JKED O=C(C/N=C/c1cc(Br)cc(Br)c1O)Nc1cccc2ccccc12 750949057 BVTLXCRSLOPFGD-LSHDLFTRSA-N 462.141 5.128 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 837763867 JAVRJLRGIWRJSJ-IQGLISFBSA-N 498.583 6.095 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 837959389 NCOHYHQXZJXIMW-QVKFZJNVSA-N 499.423 6.110 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl 839414826 OKVRGDNIAJYSFJ-UHFFFAOYSA-N 497.024 5.191 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccc(C(=O)O)cc1 840073978 ANVUWYWLADXUDW-SANMLTNESA-N 494.551 5.053 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccccc2COC(C)C)C1=O 914544565 ZFJKECYSRGPUED-HSZRJFAPSA-N 467.635 5.003 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1 914549117 ZKYYMVUIQIDNOG-VGSWGCGISA-N 479.005 5.134 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnc1-c1cccs1 915085971 DKKXQWMUQVQWSX-HXUWFJFHSA-N 459.600 5.413 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2I)cc1 915293516 PFWMDZFNGWYCRG-LJQANCHMSA-N 456.258 5.338 30 20 JKED Cc1cccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2[C@@H]2CCCC[C@@H]2C)c1 915795719 IASWUCXTAYLAPO-XUZZJYLKSA-N 460.651 5.909 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(C[C@@H]2CCCO2)C1=O 916209827 RXFSOBAOBIITDO-MGPUTAFESA-N 492.428 5.441 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccco3)C2=O)c1 916217304 KEDYNKREDLKUIF-OAQYLSRUSA-N 463.559 5.066 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3[C@H]3CCCO3)s2)cc1Cl 916543124 IYKUTSJRGIYEAT-GFCCVEGCSA-N 455.396 5.116 30 20 JKED Cn1c([C@@H](C#N)C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)nc2ccccc21 916844781 BTIWAUIAUXKDEY-FQEVSTJZSA-N 487.357 5.007 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916903517 OYTUINVYGQDPCG-DEOSSOPVSA-N 477.029 6.718 30 20 JKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916908134 LPAGHFCZZCNBNQ-ZPMCFJSWSA-N 453.498 5.035 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1OC 916932744 CQSZMXNEFCLYAE-SFHVURJKSA-N 495.875 5.019 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc12 916936335 HSHSLYCOQHPXFB-KRWDZBQOSA-N 466.925 5.208 30 20 JKED CSc1cccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c1 916976120 KKUHDTCMXKWGQF-BEFAXECRSA-N 468.003 5.415 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(OC)c(OCc2ccccc2)c1 917030321 XTIZPLABJYUQPJ-UHFFFAOYSA-N 460.559 5.102 30 20 JKED COc1cccc(O)c1C=Nc1cccc(NC(=O)c2ccccc2I)c1C 917558202 JPZLWJSVIJDCTN-UHFFFAOYSA-N 486.309 5.317 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C#N)cc1 917665001 PTZVPJCLEDFTKO-HSZRJFAPSA-N 472.545 5.166 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1ccc2ccccc2c1 917702143 ZKKGIUCMQSTZDH-HSZRJFAPSA-N 475.570 5.003 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)CCc2c(C)nn(CCC#N)c2C)cc1C 917946693 NGUGNNWZOHBZII-UHFFFAOYSA-N 481.600 5.559 30 20 JKED CCCCCCCCc1nnc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)s1 918027913 OQFWENYEZPDWKX-UHFFFAOYSA-N 479.050 5.372 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)o1 918414460 HPDRODXRLIGKJO-AYCKEJKLSA-N 453.542 5.188 30 20 JKED CCOc1ccc2ccccc2c1COC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 918510024 OJMQZZVZGJEOCP-UHFFFAOYSA-N 471.513 5.318 30 20 JKED CCN(Cc1ccccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)OC(C)(C)C 918605689 MXTZWFAWJFYGSW-UHFFFAOYSA-N 468.623 5.366 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)N(c1nccs1)C1CCCCC1 919515398 SYHDCFFNPYLOAH-QGZVFWFLSA-N 479.558 5.098 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 920105292 AJGVMIDLAJXVHO-QFIPXVFZSA-N 464.550 5.622 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2c(C)noc2C)C1=O 920355481 MXNLPLOBZQUKNT-QHCPKHFHSA-N 492.601 5.077 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc(-c2c(F)cccc2F)cs1 920806254 JHQJYSNVAXJOAR-OAHLLOKOSA-N 468.460 5.477 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(Oc2cc(F)cc(F)c2)cc1 921257657 MODHNIDVBMCFOL-UHFFFAOYSA-N 456.246 5.112 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3C(F)(F)F)CCC2)cc1 1786364330 HCZOCTBRLPNFLI-UHFFFAOYSA-N 492.513 5.504 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4CCCCC4(F)F)cc3)CCC2)cc1 1786462239 RBUQYCCIUNUVSR-JOCHJYFZSA-N 451.517 5.060 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1 1786548455 XINMHBUOJXZGGK-MDAIXWLXSA-N 495.664 5.416 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)CCC2)cc1 1786679178 LNICWKMZLHIQEG-UHFFFAOYSA-N 499.076 5.442 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4Cl)CCC3)cc2)c(O)n1 1787172688 SYSFDVSUUCCHHI-UHFFFAOYSA-N 476.964 5.016 30 20 JKED C[C@@H](Cc1cccc(Br)c1)C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787889331 DFIJITXZPWRTHG-KRWDZBQOSA-N 468.395 5.066 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3sc4ccccc4c3Cl)[C@H]2C1 1787933263 KBNZBJXDBWKLRP-WDSOQIARSA-N 475.054 5.140 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1 1788787384 QSJZRKICMOWFSY-GOSISDBHSA-N 454.514 5.309 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)cc2)CCC1 1788986225 PTXYLVGQZPBHQV-UHFFFAOYSA-N 467.516 5.177 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ncsc45)cc3)CCC2)c1 1789344277 HZHGIVSDMYMZHQ-UHFFFAOYSA-N 482.565 5.238 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c3CCc3ncccc3-4)cc2)CCC1 1790019746 ZBZOXIWJNSPXQA-UHFFFAOYSA-N 483.616 5.310 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)c1Cl 1790082569 GQSUAYURFBZACM-UHFFFAOYSA-N 496.954 5.928 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccc5cc(Br)cnc45)cc3)CCC2)CC1 1790964358 UNBQHDJVPCSMLB-UHFFFAOYSA-N 489.373 5.049 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791441405 GGOHZIFVLLEJED-IUBSTNSRSA-N 495.664 5.226 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCCn4cccc4)cc3)CCC2)c1 1791903405 GJDMBYKXVORYFJ-NRFANRHFSA-N 454.574 5.343 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1800219411 CPCZXCFLAFKOSY-KIJMKMAZSA-N 474.045 5.053 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1803082757 YIKGMPDGZRKYKR-DVECYGJZSA-N 495.048 5.433 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)C1 1805452241 WIDYOKZGQXLBEE-YADHBBJMSA-N 456.577 5.068 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1806025673 OJRFIWTUWPNTFY-KNQAVFIVSA-N 498.067 5.064 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)ccc3OC(F)(F)F)CC2)C1 1806676616 AQZSFRKDVCXKGO-UHFFFAOYSA-N 490.975 5.003 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@@H]1c1cccnc1 1809687855 GYRMQYDPAMZSJO-CEXJFXJFSA-N 484.522 5.114 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)cc12 1809805709 RSWHNVCCHYFFID-RXFWQSSRSA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)[C@@H]1c1cccnc1 1810503693 UZPPHZZFUBILJZ-AZGAKELHSA-N 475.633 5.182 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810531474 LQUISZAOADVKTE-ZCYQVOJMSA-N 479.690 5.489 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810953966 UGQRNPODFQFGKV-XXBNENTESA-N 489.513 5.328 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[C@@H]2c2cccnc2)C1 1812217431 LAKMXJWEDMAADH-ZBLYBZFDSA-N 480.568 5.109 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812303060 POXRICDNRBBFAU-RBISFHTESA-N 479.580 5.494 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2SCC)n[nH]1 1814355117 VGTJVAWLAUNFPU-LJQANCHMSA-N 455.628 5.215 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c1 1814582158 SLDISMNOXLPFHE-NRFANRHFSA-N 465.916 5.002 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(F)c(F)c3)n[nH]2)c(Cl)c1 1814663879 XKWBDTXUPTYYQD-JOCHJYFZSA-N 497.933 5.152 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cnc4ccccc4c3)n[nH]2)c1 1814726854 BCKGPVPTEXYLCX-SANMLTNESA-N 492.583 5.077 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCCC)cc2)[nH]n1 1814829328 FGHYNEZEYFOUSR-HSZRJFAPSA-N 450.583 5.273 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815216818 NLEYKFORCGLWHJ-DVECYGJZSA-N 474.561 5.099 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817773583 JIWDOYGGLROFOB-SANMLTNESA-N 491.595 5.734 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)c3ccccc3c2)n[nH]1 1817963849 AVMWJOXOOIQRLE-NRFANRHFSA-N 479.378 5.045 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114198 MYBWBURFOXVREC-JBVUFVISSA-N 482.993 5.178 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)[nH]n1 1819384319 IXSFQVORNWIWHW-IBGZPJMESA-N 483.714 5.101 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)no2)n[nH]1 1819796528 YKERZWORTZLVEH-SIKLNZKXSA-N 459.550 5.139 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)[nH]n1 1822391237 CHBNUCJNZDEBDS-SFHVURJKSA-N 499.434 5.496 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1824142235 JCOIJPZFIHZSRA-QHCPKHFHSA-N 451.636 5.298 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1824143082 GLPSBUCZYORWND-VWLOTQADSA-N 483.056 5.147 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1824146475 YOUANWRDHZCUHQ-RPWUZVMVSA-N 489.701 5.068 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824497852 GVZKLZQRLCIHRF-LCJITAHGSA-N 492.582 5.321 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(Cl)c2)CC1)c1ccccc1 1825938447 IINDHNHWGSRGED-RPBOFIJWSA-N 478.036 5.166 30 20 JKED O=C(c1ccncc1-c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826524883 DDZGIESSGVTASP-LJAQVGFWSA-N 477.608 5.034 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828466188 VBTYAJXJXVKBRJ-SFHVURJKSA-N 494.451 5.420 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCc3ccccc3F)CC2)ccc1F 1830359529 RSCBSLOEBGHPNS-MHZLTWQESA-N 493.598 5.022 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c(F)c1 1830470505 LWTAQNLTRXEDDX-QHCPKHFHSA-N 467.972 5.206 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830607128 XHECYXNKCRKEIE-SANMLTNESA-N 479.690 5.247 30 20 JKED Cc1cc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c(C)c1 1830633786 WXMROQXTNSCOMN-SANMLTNESA-N 457.618 5.225 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830734624 ALQSPZUBPHCCGE-FQEVSTJZSA-N 453.385 5.169 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1831714629 HDWOUKSLBQJSRP-JIPXPUAJSA-N 487.644 5.107 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1831846875 KCRUZVWRVVXONR-RSXGOPAZSA-N 457.058 5.503 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1832168267 JEJNWUKPXMDDRT-GCJKJVERSA-N 497.064 5.021 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634799 ZVEAAZNJGBNWFX-GBXCKJPGSA-N 490.673 5.368 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)CCc3cc(C)cc(C)c3)CC2)CC1 1836697801 HKTQRWMIZSXRPU-UHFFFAOYSA-N 466.666 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1841318924 LYKRQHTYTLIWOR-UHFFFAOYSA-N 465.597 5.487 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)C1 1843219027 POGVXCBDQISFSZ-UHFFFAOYSA-N 498.703 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)C1 1845497738 HTZHLSZFPNVRAY-UHFFFAOYSA-N 469.460 5.001 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccccc2Cl)cc1 10825529 AVEOQUKCHGGUEZ-UHFFFAOYSA-O 474.831 6.003 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11160111 GBIISCBGKXWJJR-UHFFFAOYSA-O 496.612 6.141 30 20 JKED Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n(C3CCCC3)c(=O)c2c1C 11386751 KIPHDMADYWWQCM-HNNXBMFYSA-N 452.605 5.181 30 20 JKED C[C@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc(C#N)c1 12272218 PZHUPRLUSGRYNQ-ZDUSSCGKSA-N 458.301 5.023 30 20 JKED Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)c1ccco1 15826026 HIWGOFZZPLLKBR-INIZCTEOSA-N 491.569 5.226 30 20 JKED C=CCNC(=O)[C@H](C)SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 16749149 REYJWADXHOMWJB-CYUIRQCWSA-N 478.376 5.300 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 20166880 YLWIANBJOOETRC-QGZVFWFLSA-N 461.616 5.298 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3cccc(Br)c3)o2)c1 21322985 ZAFDNYDBZQMTNR-UHFFFAOYSA-N 471.380 5.155 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nnc1-c1cccc(C)c1 22160319 LLPNLYZRJCOFEL-UHFFFAOYSA-N 475.643 5.678 30 20 JKED O=C(/C(=C(/S)Nc1cccc2ccccc12)[n+]1ccc2c(c1)CCCC2)c1cc(F)ccc1F 22693265 JJVWIFVOEHJOSG-UHFFFAOYSA-O 473.568 6.335 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2cccnc2)c1 29297403 LGXSRNVMPCMIMM-QHCPKHFHSA-N 482.005 5.094 30 20 JKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 29558439 WTARYBUNPVHDQI-HNNXBMFYSA-N 479.433 5.798 30 20 JKED CN(C)Cc1nc(N2CCCN(Cc3ccc(C#N)cc3)CC2)c2c(-c3ccccc3)csc2n1 216462803 SEUMMYGIGUHSBR-UHFFFAOYSA-N 482.657 5.004 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 247634297 CSCMNRDOTIYXOO-UHFFFAOYSA-N 459.962 5.580 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1 255465117 WMJFAIAARIOASI-QFIPXVFZSA-N 480.540 5.137 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 481288076 UIUKVCIHTKJMPD-UHFFFAOYSA-N 462.571 5.008 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(N2CCCC2=O)c1 481568883 FTZCYPQVWFUZGR-SFHVURJKSA-N 472.520 5.286 30 20 JKED COc1ccc(-c2nnc(SCc3ccc(F)cc3C#N)n2C2CCCCC2)cc1OC 483119791 LWYOHEUZWOSCAF-UHFFFAOYSA-N 452.555 5.771 30 20 JKED COc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1OCc1ccc2ccccc2n1 484385397 MMYRQPCRDGASGH-UHFFFAOYSA-N 455.539 5.425 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 487997498 RBAWRRUKNCMIIK-QHCPKHFHSA-N 488.538 5.309 30 20 JKED Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1 490397766 KFZXVTHWCTWETF-UHFFFAOYSA-N 479.602 5.242 30 20 JKED COc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)cn1 499882589 PJJSFCGQRGJLGL-UHFFFAOYSA-N 480.549 5.618 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc2c(c1)CCC(=O)N2 504753795 HAPSYCALZFWTBX-GOSISDBHSA-N 454.530 5.099 30 20 JKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 505326119 RVYDNKZCKKDQJU-SFHVURJKSA-N 472.545 5.491 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1 508289670 PXIBDBHQXZUZCD-UHFFFAOYSA-N 482.540 6.111 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1 510668063 QLOLYNUPUKNBET-UHFFFAOYSA-N 495.366 5.647 30 20 JKED N#Cc1ccc(C(=O)Nc2ccccc2COCc2ccccc2NC(=O)c2ccc(C#N)cc2)cc1 511475509 UNEFPYGGRNBLBY-UHFFFAOYSA-N 486.531 5.651 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513202285 QBQWAUGRYMAPLB-CQSZACIVSA-N 460.868 5.953 30 20 JKED N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc(O)c2c3c(sc2n1)CCCC3 513654577 LZTLLKJRNIFEOF-HNNXBMFYSA-N 459.552 5.387 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513662072 XVFVTOYVGBCXOM-IBGZPJMESA-N 483.553 5.410 30 20 JKED COc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nnc2-c2ccccc2)cc1 514215161 SEASCSOUGWDWES-UHFFFAOYSA-N 487.610 5.289 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 515411820 OTVGUCPRVOPISD-UHFFFAOYSA-N 452.436 5.493 30 20 JKED COc1cc(C(=O)Nc2cccc(OCCCC#N)c2)ccc1OCc1ccc(Br)cc1 515441085 UIOBKFSLQFLYID-UHFFFAOYSA-N 495.373 5.972 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1 517517564 CHTQDJBGKKADIZ-GBXCKJPGSA-N 457.599 5.889 30 20 JKED C=CCN(C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518256495 YAUDGCKSNGXIDM-HXUWFJFHSA-N 468.561 5.043 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NS(=O)(=O)c4cccs4)c3)cc2)cc1 519056808 OKUZCSAWOCAMKX-UHFFFAOYSA-N 475.551 5.465 30 20 JKED C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 519424943 MTFWYPGKHXPXPI-AABGKKOBSA-N 465.619 5.359 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 519441453 MRHUEELRGPJYHN-UHFFFAOYSA-N 498.530 5.447 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1cccc2ncccc12 519515830 XWRQAIACPBPTNA-QFIPXVFZSA-N 478.943 5.685 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)cc1 520662974 XCSGUWJLEOHNRN-UHFFFAOYSA-N 482.565 5.305 30 20 JKED CCOc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 520805985 QPIHIYCSXHWOFK-UHFFFAOYSA-N 484.556 5.176 30 20 JKED N#C[C@H](NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1cccc(Cl)c1Cl 521292725 YNLBBMVFMQACGX-LRDDRELGSA-N 457.283 5.005 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 523268392 WKOSXLHETGHNFA-UHFFFAOYSA-N 467.554 5.174 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 524436495 ZESYZWACVAUWEP-HXUWFJFHSA-N 465.435 5.211 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3noc(-c4cccs4)n3)cc2Cl)c1 551713389 YNIPBZAUQXFQNN-UHFFFAOYSA-N 465.922 5.224 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 588348927 HXLRBSRYSGTLKR-KRWDZBQOSA-N 461.449 5.622 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603831484 MDPYZFGCAFAITE-UHFFFAOYSA-N 453.329 5.781 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c2c(C)c(C)sc2n1 603897362 BSHOJULEHPNBIY-UHFFFAOYSA-N 466.510 5.160 30 20 JKED CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sc(-c4ccccc4)cc3C#N)CC2)cc1 603969438 VDYFTOCUIMOHHJ-UHFFFAOYSA-N 493.654 5.450 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)cn2)c1 604221545 DIORQMQXNGYDFO-RUZDIDTESA-N 482.927 5.243 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c2ccccc2)cc1 604419882 GSPCDFMKJKVXOH-MUUNZHRXSA-N 491.547 5.512 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](C)c1cc2ccccc2o1 604424836 HIEOORAKOXHHEB-QGZVFWFLSA-N 454.486 5.040 30 20 JKED N#CCCCOc1cccc(NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)c1 608875859 ZCLAHBMVFRYQEA-UHFFFAOYSA-N 478.393 5.056 30 20 JKED C[C@@H]1Sc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc2NC1=O 609062607 DFCRBZRJWATRKH-AWEZNQCLSA-N 463.946 5.476 30 20 JKED C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609063595 FWCASVJLYWXTQI-HNNXBMFYSA-N 451.866 5.105 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(=O)N2CCc3sccc3C2)cc1 609431697 CBFRRACETPGOCW-GOSISDBHSA-N 491.638 5.358 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cc2)c1 609435961 SPQPOCWAPFCRSK-DEOSSOPVSA-N 471.513 5.395 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 642393123 IEJGHFZHHVHUCU-INIZCTEOSA-N 460.353 5.508 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 684255208 OIDJRAIOTVVPLP-SJORKVTESA-N 496.508 5.157 30 20 JKED C[C@@H](OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 725994944 SDKVPLNMXDZHHM-LLVKDONJSA-N 479.867 5.538 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 726321609 JPMKPOMBXDTIIS-YVNUBYTISA-N 490.456 6.158 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC[C@H](C)OC)cc1 726394251 UEGUVOWIAWWYHM-HRAATJIYSA-N 490.025 5.042 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(C2CCCC2)C1=O 726416580 XKLAJRHJKQFCFE-QHCPKHFHSA-N 481.618 5.385 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCOC(C)(C)C)c1cccs1 726421498 NBXNNSMDQNKBGM-KFNSLDQGSA-N 495.617 5.231 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cn2)c1 726695213 NBGOBYJZXPZWMU-UHFFFAOYSA-N 479.487 5.137 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](c2ccccc2)C2CC2)cn1 726891620 PDLXJLUKEQQUBW-WIOPSUGQSA-N 486.597 5.202 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3cc(Cl)ccc3C#N)cc2Cl)c1 728052430 HEIUAPXVWBMDEC-UHFFFAOYSA-N 451.313 5.366 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 728424350 ZLSFEXYBYMOWBL-DVECYGJZSA-N 483.597 5.292 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2c(Cl)ccc(C)c2Cl)cc1 728444092 GKQLUFKSKDNMKD-UHFFFAOYSA-N 458.370 6.783 30 20 JKED N#Cc1ccc(OC2CCN(Cn3nc(N4CCCC4)n(-c4cccc(Cl)c4)c3=S)CC2)cc1 728903360 MAGYLEJKZTVVCI-UHFFFAOYSA-N 495.052 5.029 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C(C)C)C(C)C)ccc1Cl 729245244 PLBZGRASCNRLKW-UHFFFAOYSA-N 452.979 5.119 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(C)c2)cc1OC 729255029 QQJWSFRSTMZNSB-LBXILREFSA-N 460.549 5.754 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ncccc3C)C2=O)cc1 729634335 KNTDSKPCGHAQEM-QFIPXVFZSA-N 479.005 5.512 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2F)cc1 729818717 FIFLOOOASXPJHQ-QHCPKHFHSA-N 490.535 5.305 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CCC2)cc1 730462467 YLGPLNMKBCZKDM-LJQANCHMSA-N 472.408 5.270 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c3c2CCC3)c(F)c1 730686992 KSJWARMUTPGKAG-QGZVFWFLSA-N 471.319 5.077 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C2SCCS2)cc1 731061320 RCNYMWBKSFLHPW-OAHLLOKOSA-N 458.630 5.355 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731075440 APVIVPIIYRHFNO-GFCCVEGCSA-N 492.047 6.023 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 731399869 HMRANDLDRFTFCM-WIYYLYMNSA-N 472.655 5.724 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2Br)on1 743441887 XULBXQGFZKXCSZ-GOSISDBHSA-N 492.329 5.320 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 743525649 RKFXPNJESZXUQI-FQEVSTJZSA-N 471.554 5.495 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 744738904 SHDGMNPXRGBNHJ-UHFFFAOYSA-N 455.499 5.015 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCCOC2CCCC2)C1=O)Nc1ccccc1F 747044804 ZXWQMNMWPYZAFF-JOCHJYFZSA-N 469.582 5.135 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)cc1 747598653 CNJSMELYVLVSJO-NRFANRHFSA-N 478.643 5.271 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)o1 748658991 OMROVJRHECKBGD-UHFFFAOYSA-N 453.951 5.189 30 20 JKED C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2)C(=O)Nc1ccccc1C#N 755855406 BTPSEIHTUNQGCV-HWLQVLAGSA-N 489.531 5.483 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c4ccccc4)cc3)o2)cc1 792616768 BENXYNNSYBAULR-HXUWFJFHSA-N 480.524 5.204 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 799210393 RNICHSMTDXOVMH-IBGZPJMESA-N 475.467 5.502 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cccs3)C2=O)c(OC)c1 837300702 BOJRBKCPTVYMSF-QFIPXVFZSA-N 495.626 5.234 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1cccc(F)c1 838486647 QKTKWIUAONBSRH-HSZRJFAPSA-N 495.551 5.176 30 20 JKED O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 857453011 PTYFLUGCEWWQOU-UHFFFAOYSA-N 472.307 5.850 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1 911525971 CLZODNVDUASKRZ-ITWSWRFCSA-N 467.180 5.171 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C2CC2)[C@H](C)C2CC2)c1 914841099 FAYDQPZSCGWBSO-QGZVFWFLSA-N 489.037 5.133 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1Cl 916057692 VOWPNJDTGPFJCK-OAQYLSRUSA-N 475.957 5.443 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(Cl)c1 916213763 HABKUMTVHLPPOO-NRFANRHFSA-N 467.978 5.100 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CC2)cc1 916213801 HXTINHMCNATTEK-FQEVSTJZSA-N 457.983 5.034 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916217192 HNQWAIPJTSYVAS-IBGZPJMESA-N 496.416 5.381 30 20 JKED CCc1nc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2nc1CC 916904484 DWTJEOOVQZILNH-FQEVSTJZSA-N 464.525 5.508 30 20 JKED N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1ccccc1Oc1ccccc1 916906602 FPQGZPJFGGLOCT-QHCPKHFHSA-N 452.535 6.072 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916906746 VIFKBLDAUBDBMA-NRFANRHFSA-N 481.533 5.754 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4cccc5ccccc45)cc3)o2)cc1 916915980 MODKRGKXIYCTCR-DEOSSOPVSA-N 472.504 5.826 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)cc1 916955519 RFXXKTLSKZRZTR-FOIQADDNSA-N 471.586 5.480 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 917037347 YYJGWKXUSVEOCY-QFIPXVFZSA-N 468.431 5.145 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C(F)(F)F)c1 917655607 OGFPJSMHOBDRON-HXUWFJFHSA-N 493.551 5.319 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 917707034 IZGPNOUAOPMTHM-XMMPIXPASA-N 486.597 5.098 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 918169251 CPKTZCFKFRBNIM-QBFSEMIESA-N 450.510 5.246 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)S1 918713489 MCSCWEAUZGERFY-LICLKQGHSA-N 459.518 6.337 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2ccc(C#Cc3ccccc3)cc2)cs1 918923982 KORINHPRYXSQGM-UHFFFAOYSA-N 470.525 5.724 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 919667526 XTYGYPTWTHZQRC-DENIHFKCSA-N 494.016 5.347 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 919986761 CEIONXPULCZFSC-UHFFFAOYSA-N 476.458 5.788 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3sc(C)nc3-c3ccc(C)cc3)n2)cc1 920139645 WNVWVHZLOUMSIK-FQEVSTJZSA-N 459.596 5.978 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2coc(-c3ccc(Br)cc3)n2)c1C#N 920518315 NNABLBZJLZPFGC-UHFFFAOYSA-N 470.348 5.327 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3ccc(Cl)s3)n2)cc1 920676183 PADUXJCNXSYFCE-AWEZNQCLSA-N 459.980 5.326 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 920867749 HAECRXKJKCDPKB-HNAYVOBHSA-N 493.601 5.244 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1F 921254560 YIEVOBXLZXYQHA-JOCHJYFZSA-N 471.598 5.220 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4)cc3)CCC2)c1Cl 1785758369 UWZMCLTZGWZGCR-UHFFFAOYSA-N 465.340 5.322 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)c(Cl)c3)CCC2)cc1 1786680211 RSXSGJUDGVMHCL-UHFFFAOYSA-N 450.938 5.285 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3Cl)cc2)CCC1 1786708719 XGCQXZODQQXGKM-UHFFFAOYSA-N 462.924 5.237 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787134786 ZADTYDNDGGCFDT-UHFFFAOYSA-N 489.547 5.078 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)oc4C)CCC3)cc2)c(O)n1 1787171798 MZHJGIOKDHPLCM-UHFFFAOYSA-N 459.546 5.177 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4Cc5ccccc5O4)cc3)CCC2)c1 1789175743 XADOMHAGBQBPIV-SIBVEZHUSA-N 465.553 5.065 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)cc2)CCC1 1789293024 LVBGGMGOZCBCNW-OAHLLOKOSA-N 470.495 5.542 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)cc1 1790706246 RXANJEAPXGUXOP-UHFFFAOYSA-N 454.555 5.128 30 20 JKED COc1ccc(Cl)cc1CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1791185017 IXPSUKZOCCDOJF-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)[C@H](C3CCOCC3)CN4)CCC2)cc1 1791246995 HANPEHOJQCQODT-IBVKSMDESA-N 487.644 5.582 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnn4c(-c5ccsc5)ccnc34)CCC2)cc1 1791247686 GDKGZLHYNOXFPV-SFHVURJKSA-N 485.613 5.418 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)cc2F)c1Cl 1803874162 PABANWGLVZFNBJ-BTTYYORXSA-N 480.754 5.223 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1810173428 IVQLZVYUJVVPDE-OTPAQWSUSA-N 477.992 5.569 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1810175117 SPBXKEXICVHMLB-BIYCFNCWSA-N 486.660 5.160 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1810181600 JBRUUSUQWVWYML-SAYMBASOSA-N 488.607 5.109 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1)c1ccccc1 1810443311 GVMYPGIRUBUBFT-HPUNYJORSA-N 491.591 5.345 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3cn(-c4ccccc4)c4ncccc34)C2)CC1 1810451112 FDVHCZJYFKTCGA-UHFFFAOYSA-N 492.570 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810501206 AMWHQKMIUAASFL-OFNKIYASSA-N 498.549 5.284 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)[C@@H]1c1cccnc1 1810503102 OCSCVJWQELVYRC-RCZVLFRGSA-N 458.606 5.183 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc4occ(Cl)c4c3)[C@@H]2c2cccnc2)c1 1811939931 RMQPCELOTNCLAD-QFQXNSOFSA-N 498.970 5.295 30 20 JKED CCOc1ccsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814343898 GRNWVXUTPQOTIN-JXFKEZNVSA-N 477.590 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n[nH]1 1814720827 WJMVICAYKOLKCB-KCZVDYSFSA-N 452.574 5.337 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)[nH]n1 1814829379 NQICIOGZXJXMGZ-DEOSSOPVSA-N 469.589 5.546 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccc(F)cc2F)n[nH]1 1815147380 ITQJKDPAOPEDGM-PXNSSMCTSA-N 474.577 5.241 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 1815208441 APCWKQTYDSGSSB-IBGZPJMESA-N 465.381 5.005 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)n[nH]2)C1 1815533869 RJHGNZIGHARNSG-IBDYFIJFSA-N 458.484 5.100 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)[nH]n1 1815652285 MYXLBSPLTWQQQZ-HXUWFJFHSA-N 494.583 5.363 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)[nH]n1 1815656025 DNGHKUJWNMXJNX-SFHVURJKSA-N 467.422 5.250 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)cc1 1817823676 UMRHEQGJUTTXES-HXUWFJFHSA-N 473.558 5.028 30 20 JKED CC1=CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CC1 1818807462 BQEIOMHEXGLWSU-UWJYYQICSA-N 485.510 5.352 30 20 JKED C=CCCC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4cc(OC)ccc4o3)sc2C1 1818958533 BDOJMDZXVLGFJD-INIZCTEOSA-N 467.591 5.116 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)[nH]n1 1819552732 ZAXIVCULHXBHQV-JOCHJYFZSA-N 479.625 5.203 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820202155 BSKYJMBHMVKPQZ-NRFANRHFSA-N 451.546 5.328 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)[nH]n1)c1ccc2occ(Cl)c2c1 1820229306 PUGZTKROGUPSBK-QFIPXVFZSA-N 472.932 5.167 30 20 JKED COc1ccc(C2(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(C)cc(C#N)c4)[nH]n3)CCC2)cc1 1820850392 XVRYOXJPWQQYTN-RUZDIDTESA-N 497.599 5.026 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1)c1ccccc1 1821271079 PMPPRFRZCDOXJG-UKILVPOCSA-N 473.552 5.166 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821383618 CJZZLSAOEDPVLC-LJQANCHMSA-N 473.911 5.129 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(OCC)c(OC)c2)n[nH]1 1822271408 KYGABOSTSBIALY-NRFANRHFSA-N 482.625 5.044 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823217093 PSCVQXHQNCTZOH-DVECYGJZSA-N 485.588 5.282 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)ncc2F)CC1 1823751871 BMYYYKXHYZWTHL-HXUWFJFHSA-N 494.449 5.209 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1823885346 QRBIIGQEYKFYSI-QFIPXVFZSA-N 472.589 5.211 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824329992 TZTCAVAOQJZYSJ-QHCPKHFHSA-N 480.716 5.483 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1825567798 QUEIKHOALRXKQO-NRFANRHFSA-N 477.093 5.517 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)CC2 1826426252 AFWJSCUDSFRGBT-GOSISDBHSA-N 486.597 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc3c2CCCO3)CC1 1827384359 BOYOVJLOPZEQII-NFBKMPQASA-N 456.652 5.075 30 20 JKED CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827680069 GRVOONFEYYHARI-FGTQWKHKSA-N 478.658 5.301 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)CC2)c1 1828166120 JCALBZNQBKVAKG-HXUWFJFHSA-N 481.021 5.302 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)nc2ccccc12 1828216016 WLPVVPNPHFJTEW-HHHXNRCGSA-N 484.575 5.101 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828358115 FJMNUEHJSALUKQ-IUKPUOCZSA-N 489.660 5.578 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CS[C@H]2CCCCO2)CC1)c1ccccc1 1828959350 BZYVSPTZTOSQBV-NSVAZKTRSA-N 496.717 5.063 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829233223 TZFRWMASGDOITL-PZJWPPBQSA-N 464.437 5.390 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)CC2)c1 1829454104 FQUVMXAPDYMBNG-IBGZPJMESA-N 476.429 5.474 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829610489 VXPMWTZUYJIBGD-UPVQGACJSA-N 487.648 5.008 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1829677937 UXZNSARGFANWND-CHZKFRDHSA-N 465.638 5.017 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1830413174 CWGPFXFQEPTJPV-KNQAVFIVSA-N 494.661 5.188 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)cc1 1830628155 OLLJMWRZZAVAIM-RUZDIDTESA-N 481.999 5.021 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)CC1 1830889017 CLRQYESGEMMUOI-OFNKIYASSA-N 453.652 5.540 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)CC1 1830951043 ATDNIDOMALWTNH-JYFHCDHNSA-N 490.644 5.556 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc3c2CCCC3)CC1 1831445630 PQEYVZHSQSDMID-HXUWFJFHSA-N 450.595 5.072 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832670204 FPFWPPHDUSJWBZ-CLOONOSVSA-N 494.035 5.523 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)Cc3cccc(CCCCC)c3)CC2)CC1 1836346631 FZRUFKHXSSLVML-LJAQVGFWSA-N 493.736 5.302 30 20 JKED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccccc3CSc3ccccc3)C2)cc1 1845475155 GAHRIPXHKGKVSL-UHFFFAOYSA-N 481.621 5.176 30 20 JKED C=CCc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(OC)c1 9532309 OYUZOUQAWFGSPY-LBPRGKRZSA-N 472.752 5.333 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10170981 JEYFVUQZYLOVJX-UHFFFAOYSA-O 488.032 7.033 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc3ccccc23)cc1 11126850 FQYOVYUTVJYWAS-UHFFFAOYSA-O 489.611 7.360 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc3c(c2)CCCC3)c1C 11153583 DGTQXXORVIUMCM-UHFFFAOYSA-O 490.649 5.252 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc2c(c1)CCCC2 14871899 GCHNCCSGOJTTTM-UHFFFAOYSA-O 484.472 6.773 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 15248098 UXQWYYJVMNUHQI-UHFFFAOYSA-O 488.460 6.638 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 16260087 KEAWPUNPSHZIFV-QFIPXVFZSA-N 484.453 5.054 30 20 JKED Cc1c(Cl)cccc1Nc1nnc(SCC(=O)Nc2ccccc2SCC#N)s1 16323803 CWWBDARBYLDOFK-UHFFFAOYSA-N 462.025 5.590 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(F)cc3)no2)nnc1-c1ccc(Br)cc1 18773217 VUCWBPSXXHPUQI-UHFFFAOYSA-N 472.343 5.375 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 20056967 IUGLNYRIBHCFGK-UHFFFAOYSA-N 463.950 5.037 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 23939785 VOIJOGDSSYPTNS-SFHVURJKSA-N 499.036 5.372 30 20 JKED C[C@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1cc(Cl)ccc1Cl 24348243 DSBACIHCABGYOI-LBPRGKRZSA-N 486.384 5.214 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1 25520210 CXAVUTYYJVSXFR-UHFFFAOYSA-N 495.044 5.741 30 20 JKED CN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)C(C)(C)C#N 27071887 WERHCWIJXVPKBV-SAPNQHFASA-N 459.571 5.091 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(SC(F)F)cc2)c1 28781517 HIOKLIYFNLDDNW-UHFFFAOYSA-O 485.645 6.946 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cccc3ccccc23)c1 28782886 SVPORFKJRKTDMY-UHFFFAOYSA-O 456.547 5.703 30 20 JKED CCOc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2C#N)c2c[nH]c3ccccc23)cc1OC 29010279 GQLRJMKJAKJLIH-WMZHIEFXSA-N 483.568 5.162 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCCc2cccs2)ccc1Cl 36712684 QOWLIVOFKGRUDG-UHFFFAOYSA-N 495.453 5.409 30 20 JKED COCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 59270515 AEMWPYOHTCSPLL-UXBLZVDNSA-N 458.486 5.027 30 20 JKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 60016477 WCASSXJFAQMYBL-UHFFFAOYSA-N 470.447 5.434 30 20 JKED Cc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 106115807 MVOJSWHGWFKMFA-RTBURBONSA-N 466.545 5.504 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 108439974 OZPDVXUTKNREGO-UHFFFAOYSA-N 467.504 5.102 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)C(C)(C)c2ccccc21 206010025 OWWSMZUNTMVWQZ-SGSZHJQISA-N 492.620 5.236 30 20 JKED CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 303193281 MTJFCHKVSTWVKE-AREMUKBSSA-N 488.563 5.191 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)c2)cc1 303203770 OXSSHWIBEXFSBL-UHFFFAOYSA-N 474.948 5.384 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1 409870208 UFQWDOYECJSKJY-UHFFFAOYSA-N 489.885 5.006 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 480727466 BOUDZVRUJDLSLW-NRFANRHFSA-N 454.574 5.739 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1 487659408 NUTXSDATCPXIGJ-QFIPXVFZSA-N 477.467 5.084 30 20 JKED C=CCn1c(Sc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)nnc1-c1cccnc1 487993847 QICDOILUMOLJCQ-UHFFFAOYSA-N 481.372 5.089 30 20 JKED COc1cc([C@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1OCc1ccncc1 498598773 FRIUGUDQLDBTEI-NRFANRHFSA-N 493.563 5.611 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 501723663 QKXJUKMNVNUEBF-UHFFFAOYSA-N 455.514 5.966 30 20 JKED Cc1cc([C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)nc(C)n1 502674795 FARIJTHNLNYICD-OAHLLOKOSA-N 470.385 5.658 30 20 JKED CCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@@H](C)c1ccc(Cl)c(Cl)c1 502833755 UUMJBZVDOVYDGF-HNNXBMFYSA-N 458.393 5.457 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 507897052 YYSDQNIKUVRTME-UHFFFAOYSA-N 462.918 5.785 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2nccn2C)cc1 510008945 AXIQJPALYPSTEL-ZCYQVOJMSA-N 485.975 5.649 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1Cl 510023080 JHLBMVJBSOFYJN-DEOSSOPVSA-N 472.976 5.422 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)s2)cc1 510638792 TWKNSDSXLZLHLT-IBGZPJMESA-N 488.548 5.206 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)s2)cs1 511374003 UKHBZHZCDFKKPF-UHFFFAOYSA-N 488.638 6.189 30 20 JKED C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511416636 UOKFWXAMWWMQSA-HSZRJFAPSA-N 482.628 6.028 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C 511907953 MROKHOYABQFDGU-NDEPHWFRSA-N 481.596 5.384 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 514070621 YUKUOQJCISCHSG-UHFFFAOYSA-N 489.959 6.148 30 20 JKED CCCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1Cc1ccccc1 516269850 APSZREWFVMYDSE-OAQYLSRUSA-N 456.571 5.506 30 20 JKED CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4ccccc4SCCC#N)CC3)c[nH]c12 517467051 ZYEVVWCRWIDOOF-UHFFFAOYSA-N 460.603 5.081 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 517468285 LFLWFFYLOGKVSM-HNNXBMFYSA-N 499.967 5.656 30 20 JKED COc1ccc(CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H](C)C2CC2)cc1 517504377 KMHJZLSMAZIDRV-IBGZPJMESA-N 468.557 5.652 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 518248379 GHIVSMGBSNORKR-VXGBXAGGSA-N 454.354 5.343 30 20 JKED C=CCN(C(=O)Nc1ccccc1Oc1cccc(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518255146 GYEBVLDKTVGYFY-SFHVURJKSA-N 458.497 5.375 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)c2)cc1 519196509 FFCNVBZJPITUEH-UHFFFAOYSA-N 459.933 6.131 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 519422691 FXGQQXAWTJEKPZ-OAHLLOKOSA-N 498.699 5.789 30 20 JKED C=CCN(C(=O)c1ccc(CSc2ccccc2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 519505916 BDZBAVHDEFLXEH-HXUWFJFHSA-N 455.587 5.344 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 519515621 OFGSHTMIBQTWCV-CQSZACIVSA-N 458.008 6.331 30 20 JKED C[C@H](Cc1cccc(Br)c1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520052202 HKRMEDJVBJZEQJ-GOSISDBHSA-N 478.390 5.847 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCCCCc2nc(-c3cccnc3)cs2)o1 520499266 CYIMDYBETANPGX-UHFFFAOYSA-N 458.543 5.001 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)cc2)cc1 520599485 UMDBOJDCPSITON-UHFFFAOYSA-N 475.552 5.630 30 20 JKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2C(F)(F)F)cc1 521258698 COYOXBFWCDSCJC-CQSZACIVSA-N 488.441 6.091 30 20 JKED COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1 521725900 HUNFQIYAGIFXIK-KRWDZBQOSA-N 495.626 5.309 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H](c3ccccc3)N3CCSCC3)cc2F)c1 524146263 KKCXMIMTKQSFBW-RUZDIDTESA-N 461.562 5.005 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)nnc1-c1ccc(Cl)cc1 588627102 KQONMAAZNIGYFG-UHFFFAOYSA-N 492.008 5.178 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 590186487 GRGGMOUHOPPTRR-UHFFFAOYSA-N 485.515 5.328 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)sc2c1CCCC2 590612847 PJOOQTVKYZVYAV-UHFFFAOYSA-N 461.509 5.008 30 20 JKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1 598583480 IEORTNIKHLTIGD-HZPDHXFCSA-N 477.586 5.077 30 20 JKED Cc1nc(C)c(C#N)c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)n1 600823823 VYTBLIDYJRMILM-UHFFFAOYSA-N 497.955 5.415 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 603460129 LDCQSNCTYGRREE-RUZDIDTESA-N 484.506 5.309 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)c2)cc1 604153135 UZYBTGFNHWAPMW-XMMPIXPASA-N 492.579 5.158 30 20 JKED CC(C)(C)c1ccc(C2(CNC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCC2)cc1 604533885 UMQANEJHPSSROH-UHFFFAOYSA-N 482.584 5.220 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604561816 GYWWSVYCUVJXEI-UHFFFAOYSA-N 453.502 5.497 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)o2)cc1 609027680 DAXKIEJBFJFQGL-VWLOTQADSA-N 451.526 5.543 30 20 JKED COc1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)n2)cc1 609061024 HQASVFHCJBXFRL-UHFFFAOYSA-N 468.513 5.076 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 609061373 BFPBVERRAXMBAA-HSZRJFAPSA-N 453.542 5.054 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc2c1CN(CCC(C)C)C2 609063482 MFJNZSWJNSMNKM-UHFFFAOYSA-N 486.410 5.099 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cs2)cc1OC 613314335 LFWHCOXIALQRJI-KRWDZBQOSA-N 461.568 5.749 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc2cc(Cl)ccc2s1 613403915 XJTRHOGSRDIKQN-CYBMUJFWSA-N 457.740 5.592 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ccccc2)c1C(F)(F)F 642157228 FDEQBYJERZFBOI-GHMZBOCLSA-N 473.339 5.530 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nc2sccc2c1=O 645079655 KROUBABRWOAYNH-HXUWFJFHSA-N 463.584 5.125 30 20 JKED C=CCN(C(=O)Cc1csc(COc2ccc(C)cc2)n1)c1nc(-c2ccccc2)cs1 680453208 FOMJPZRXRZHBJX-UHFFFAOYSA-N 461.612 5.916 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 684681327 FEMKVJWBGOGMRN-IBGZPJMESA-N 459.502 5.697 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 726396981 GHAWBGITAAUGSS-HXOBKFHXSA-N 479.577 5.364 30 20 JKED COc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1OC 726496603 BHLWSVQURSHMQV-UHFFFAOYSA-N 461.499 5.123 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3csc(COc4ccccc4)n3)SC2=S)cc1Cl 726626895 MJXSHAVTXDSADT-QGMBQPNBSA-N 470.000 5.653 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 726942071 PXZYTGMOIKERTA-UHFFFAOYSA-N 487.503 5.375 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCCCC#N)c3)SC2=S)cc1Cl 726986159 XLAGIBDKXYJTQC-UDWIEESQSA-N 474.991 5.446 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1F 728425511 NPKBSWSRWRTIQW-UZUQRXQVSA-N 487.560 5.122 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(CCCCC#N)C2=O)cc1 728779357 YVEWIALQLQYRTF-FQEVSTJZSA-N 486.544 5.251 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)cc1 730685673 BCSSSZFVUMFPPZ-BROLKAIQSA-N 460.574 5.202 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 730943470 DGCBNLFPDXRCSW-BTYIYWSLSA-N 482.968 5.596 30 20 JKED COc1cc(/C=C\C(=O)Nc2ccccc2SCCC#N)ccc1OCc1c(C)noc1C 730982376 OUUNLVQRWRIGNC-BENRWUELSA-N 463.559 5.537 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCSc3ccc(Br)cc3)n2)cc1 731137921 UATKJZBBDPXIFJ-IBGZPJMESA-N 482.428 6.193 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1Cl 731305106 GYHAJRRZSBURFD-YJYMSZOUSA-N 496.416 5.084 30 20 JKED Cc1ccc2c(c1)[C@H](N1C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC1=Nc1ccccc1)CC2 731307306 QXXUYOCKAVIZLR-RPWUZVMVSA-N 471.582 5.348 30 20 JKED COc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCCOc1ccccc1Cl 745626955 WOMSNYUSBXNJBI-PKNBQFBNSA-N 493.943 5.659 30 20 JKED Cc1cc(S[C@@H](C)C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)n2c(nc3ccccc32)c1C#N 746085126 FCIAAUGORJNHGD-GJZGRUSLSA-N 489.582 5.564 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(C)ccc1C 746695124 CHWGXYSGSZVXOT-JOCHJYFZSA-N 453.608 5.080 30 20 JKED C[C@H](C#N)CN(C)Cn1nc(COc2ccccc2F)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1=S 746706539 MNLIFPXVPLVYGJ-JAZQRGJZSA-N 457.619 5.178 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3cscn3)C2=O)cc1 747598831 FINARXJLMHWLGX-NRFANRHFSA-N 480.615 5.011 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)c1=S 747791102 CJZBWKYDBXDLAN-OAQYLSRUSA-N 468.598 5.053 30 20 JKED CC(=O)N(c1nc(/C=C2/COc3c(Cl)ccc(Cl)c3C2=O)cs1)c1ccc(F)cc1F 748583899 KSHSGGGXLODFNR-WDZFZDKYSA-N 481.307 6.071 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)CC2)c1 749147465 NTUADPFVFCTZEO-UHFFFAOYSA-N 478.527 5.403 30 20 JKED CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2nc(-c3ccncc3)no2)cc1 750949711 YQPWESVBYGDUDB-UHFFFAOYSA-N 465.517 5.218 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(F)(F)F)C1=O 799214691 NNMOGRFOHZNKDZ-MRXNPFEDSA-N 489.878 5.010 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CC(F)(F)F)C1=O 799218862 HUSFQLVNCHDULH-MRXNPFEDSA-N 490.334 5.824 30 20 JKED COc1ccc(-c2nc(SCCOC(c3ccccc3)c3ccccc3)nc(O)c2C#N)cc1 824964374 VFBNALVMEYVDDG-UHFFFAOYSA-N 469.566 5.628 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2cccs2)C1=O 837832274 NYVUOLPELAWRCO-OAQYLSRUSA-N 465.600 5.226 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)cc1F 838257857 LSBMMVSSVQHJJJ-QRQCRPRQSA-N 498.530 5.529 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1cccs1 838536453 SLBLEPDAKIDKSN-JOCHJYFZSA-N 479.627 5.534 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2sccc2C)C1=O 914547419 OSAXORCLGBXWAM-OAQYLSRUSA-N 479.627 5.534 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)Cc3ccco3)C2=O)cc1 914694986 ZXXWKXGXNQRNGB-MWTRTKDXSA-N 493.560 5.213 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccn1 916207369 ZEROJNKCGCRLBV-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)Nc2cccc(OCC#N)c2)c1=S 916409731 LFHROJXLJVFNMS-UHFFFAOYSA-N 469.998 5.466 30 20 JKED C=CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 916554967 MGHSXEVQZASHQP-AWEZNQCLSA-N 470.532 5.326 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)c2)cc1 916624650 LNLLHSUROYPVOW-UHFFFAOYSA-N 472.614 5.207 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccn2)cc1 916708269 QOQUJICIICFCLY-MHZLTWQESA-N 478.552 6.250 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(SC(F)F)cc1 916886589 HRVOMMGPGGYBCY-ANOSYLROSA-N 456.392 5.261 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 916925899 QLNOZBIJIIQLDU-BWKNWUBXSA-N 479.001 5.909 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 916955578 RTVBRDUEDUXEKN-MHECFPHRSA-N 454.530 5.805 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977452 QXXZNSIXRYYRLA-NRFANRHFSA-N 486.000 6.085 30 20 JKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996124 KSTCCWCPIVAPQR-QGZVFWFLSA-N 497.407 6.351 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Cl)cc1 916997883 ZQGXJLYYHHQIBW-MJGOQNOKSA-N 492.815 6.214 30 20 JKED COc1cc(C=Nn2c(C)nc3sccc3c2=O)ccc1OCc1ccc(Cl)cc1Cl 917580091 PJDLLLNAJVZBQD-UHFFFAOYSA-N 474.369 5.543 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2cccc(C)c2)C=C1 917610259 LINLVVUNHKMSED-UHFFFAOYSA-O 454.575 5.529 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2cccc(O)c2)N=C1C 917615850 RBBUAZYUSACJAB-UHFFFAOYSA-O 450.584 5.121 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)c(C)c1 917672953 CTBSCNIGVYNEPW-VWLOTQADSA-N 490.673 5.138 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccsc2)cc1 917684437 KLQXPIVGUXIQOR-JOCHJYFZSA-N 479.627 5.534 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2OC)c1 917694271 FBTBFVOKMKATRL-DEOSSOPVSA-N 489.597 5.002 30 20 JKED COc1cc(/C=C(/C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c2ccccc2)ccc1O 919168699 IJDXBDLWEYDVES-HZHRSRAPSA-N 465.509 5.051 30 20 JKED COc1cc(/C=C/C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1c(C)noc1C 920101775 IERAJKWEHGRJHV-ZUURVNMSSA-N 483.524 5.274 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 920109317 OOPZHALUIIAUDK-GOSISDBHSA-N 467.356 5.409 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3c(C)noc3C)C2=O)c1 920354861 IAYSYGWFIAHFHG-JOCHJYFZSA-N 480.565 5.208 30 20 JKED Fc1ccccc1COc1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1 920368931 QSUXHWDYIBUOEY-UHFFFAOYSA-N 452.942 5.824 30 20 JKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nccn1C 921118009 JOUVBKBBVMUQOM-XMMPIXPASA-N 453.502 5.004 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)[C@@H]3CCOC3)c2C#N)C(C)(C)C1 921216855 YKDJSUDMGIZJKF-LAQIPUCWSA-N 482.627 5.286 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CCO2)C1 1778882121 FGXRDNPRKGELGZ-NEEKEDPPSA-N 495.623 5.114 30 20 JKED COc1ccc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785882729 BTTVLODMKJYDFE-UHFFFAOYSA-N 473.960 5.211 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)COc4cccc(Cl)c4)cc3)CCC2)c1 1785992221 RYVPVIJNFHSLHG-UHFFFAOYSA-N 489.959 5.047 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CSC4CCCC4)cc3)CCC2)c1 1786348245 ITRFCTZSXGACMB-UHFFFAOYSA-N 451.567 5.121 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1 1787287364 RUPGVJZRHFUDCQ-OAQYLSRUSA-N 483.634 5.355 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCOc4ccccc4)cc3)CCC2)c1 1787676395 GFKJGISJSYFZTK-UHFFFAOYSA-N 453.542 5.084 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)[nH]c2ccc(Br)cc12 1787880016 HSTBAXXCXTXLOB-UHFFFAOYSA-N 491.389 5.290 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)s1 1788356414 KHEWXMUTDUJVJK-UHFFFAOYSA-N 499.518 5.107 30 20 JKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1cccc(NC(=O)OC(C)(C)C)c1 1789498166 QVVCCYIIAZGVSL-LJQANCHMSA-N 490.604 5.575 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CS[C@@H]4CCCCO4)CCC3)cc2)c1Cl 1790084052 WVBPKVBUQLCIQB-JOCHJYFZSA-N 484.021 5.219 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)c(Cl)c4)CCC3)cc2)c1 1790258304 CARLTVDBFYNBTP-UHFFFAOYSA-N 465.340 5.322 30 20 JKED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)CC(C)C)CCC2)cc1 1790525630 LMPVVRKDQDFJNU-XMMPIXPASA-N 477.605 5.038 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790764147 WQRXMGVBWIOEKZ-UHFFFAOYSA-N 485.437 5.679 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)c[nH]4)CCC3)cc2)cc(C(F)(F)F)c1 1790787737 SXCLLOQLSZVOJL-UHFFFAOYSA-N 470.426 5.106 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4Cc5ccccc5N4)cc3)CCC2)c1 1791135449 AHKYYYWAKXYTPA-BCHFMIIMSA-N 464.569 5.098 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCC3)CCC2)cc1 1791589834 JRKAOOIODCDZKC-HSZRJFAPSA-N 469.626 5.170 30 20 JKED CC(C)Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)n(C)n1 1792123811 QSHRXLPRHIYLQX-HXUWFJFHSA-N 483.616 5.307 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ccccc12 1797277236 GQGYDTRNYQMMBI-XBYSBRQOSA-N 453.586 5.366 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1797878060 ZAVFEGBAUYAHLK-JTCYRHKZSA-N 456.747 5.282 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)C2 1798420443 NFKFEWCFPQXCDW-KMWHABIXSA-N 456.747 5.282 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)c(F)c2)C3)c1 1800683877 UDEFUPHMDBIPQW-KOUNCHBCSA-N 471.507 5.069 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[C@@H]2c2cccnc2)C1 1802414845 ZPCJUHQAPHTDLV-FDDCHVKYSA-N 484.427 5.092 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1802503426 TXQYSCZWARBDOW-JYFHCDHNSA-N 488.632 5.052 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)cc(C#N)c1)C2 1804451184 SFDABCCWBLPWNC-OOSCYNTBSA-N 495.664 5.193 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(-c5ccccc5)on4)C3)CC2)c1 1804733530 YAOWUTMIZUNZMP-NRFANRHFSA-N 482.584 5.127 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)cc1 1805321615 BUQLWYYJITYAAH-HSZRJFAPSA-N 482.741 5.081 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4C[C@@H]4c4ccc(F)c(F)c4)C3)CC2)c(Cl)c1 1805612445 BIVHTKHPNZPGKI-RTWAWAEBSA-N 497.973 5.138 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1809302631 MXGAHOCYQFVSOK-BDYUSTAISA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1810174074 RGFGLWSOUJCHGI-REHUZNOOSA-N 494.060 6.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1810181985 NITDTWHCDHSPED-YOSAUDMPSA-N 486.443 5.785 30 20 JKED O=C(C#CC1CC1)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 1810386322 AEDVKEFAFBJBCS-UHFFFAOYSA-N 495.545 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810502781 LODLAUUTZFENLK-XUZZJYLKSA-N 487.566 5.341 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1812498711 HZIWQXYHQVQOAU-DHLKQENFSA-N 478.036 5.241 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)[C@H]2c2cccnc2)cc1 1812955508 BDBKEQJCIQFURE-URORMMCBSA-N 481.706 5.017 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1813053366 UCORGNGGQYDBJO-YWEHKCAJSA-N 469.560 5.011 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(Cl)c2)[C@H]1c1cccnc1 1813859868 YOGLDLYZWVTYPL-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)[nH]n2)C1 1814394248 LDTVFDMPROGGQU-QFIPXVFZSA-N 491.979 5.523 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cccc4ncccc34)n[nH]2)c1 1815181742 XTKWMYYUNSHOSM-AFMDSPMNSA-N 492.583 5.134 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4c(CC(C)C)oc5ccc(OC)cc45)sc3C2)C1 1815912149 PEPWQBIZUYAYKR-QGZVFWFLSA-N 493.629 5.288 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc(C(F)F)c2)n[nH]1)c1ccccc1 1816082160 LUOLEYIEMZJUPC-NFBKMPQASA-N 491.542 5.245 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1816336489 ZXOOXYBLTLPSBV-QHCPKHFHSA-N 494.555 5.059 30 20 JKED Cc1cccc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)[nH]c12 1819000973 UQXOPCKXTSJAMA-JXFKEZNVSA-N 483.597 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1819309263 QCWZQXVSXHTXIO-RXVVDRJESA-N 496.409 5.118 30 20 JKED CC(C)n1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)c(C(F)(F)F)c1 1820485607 RFZKKGQJIQUFDV-NRFANRHFSA-N 498.509 5.302 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1 1820910480 ISQKSGNOSYDGAJ-NJVGLYJLSA-N 499.656 5.008 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)ccc2[nH]1 1821584241 ISWSKRHOGQDENJ-XMMPIXPASA-N 489.696 5.556 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)cc1C#N 1822023174 ZTCZXBGUPRAPID-HGBASVHRSA-N 489.620 5.201 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[nH]n1 1822392623 WLQHYKKZBRTMSE-DEOSSOPVSA-N 480.572 5.062 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1822580254 XBODFLVWIQFWGY-HXUWFJFHSA-N 465.985 5.352 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823685030 KFOCQGQEJRRDRX-VWLOTQADSA-N 494.035 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cnc2OCC)CC1 1823753894 NKCYMLGQXJURRV-QFIPXVFZSA-N 476.061 5.359 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1824960460 NPYLODFQEBSPCB-NEQMZLFVSA-N 491.495 5.001 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)CC1 1826236530 UNEZRLPFEAEADJ-RPBOFIJWSA-N 497.680 5.147 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)CC1 1827849661 BFBFPYYZQQSOLN-OAQYLSRUSA-N 465.560 5.326 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccncc3C(F)(F)F)CC2)c1 1827853592 PPKNFGKJSDASIR-KOSHJBKYSA-N 498.549 5.275 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1)c1ccccc1 1828204754 LRUPUIQOFCBZNN-KYJUHHDHSA-N 493.651 5.665 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(Cl)cc2Cl)CC1 1828824117 JYLYSHMOETVTGM-TZIWHRDSSA-N 464.437 5.390 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1828906355 HUOBELUISIXTFR-HHHXNRCGSA-N 489.736 5.519 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nccc3occc23)CC1)c1ccccc1 1829033443 UNWOZXWLIXOJBF-AZGAKELHSA-N 483.612 5.258 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419056 LMPBPYHYOZLWEO-UGKGYDQZSA-N 451.636 5.256 30 20 JKED Cn1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc2ccccc21 1830721316 BMZSASKCEXFRDS-VWLOTQADSA-N 489.019 5.250 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)oc2ccccc12 1830721449 GAKZDFVAGRBKAT-XMMPIXPASA-N 490.003 5.813 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4[nH]c(C)cc4c3)CC2)c1 1831035621 FZCFMARUGWCGCH-HHHXNRCGSA-N 468.601 5.204 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1831374433 PVCNOJSXEOHZDY-VGOFRKELSA-N 461.528 5.023 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)s2)CC1)c1ccc(O)cc1 1831925229 ZTWAXWJHOKNKQM-FYYLOGMGSA-N 482.621 5.023 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)ccc2[nH]1 1832634037 NOEWDEWNPDJFRN-NGOKVRLYSA-N 482.628 5.651 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(Cc4cccc(F)c4)c3)CC2)CC1 1838749995 QSTLUXITTDGUKE-QFIPXVFZSA-N 492.635 5.241 30 20 JKED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)C2)c1ccccc1 1844336117 WDCUEYLFEFIZRV-QFIPXVFZSA-N 493.529 5.201 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)C2)c1Cl 1845671877 WFWSNJXQPJRJRK-UHFFFAOYSA-N 484.943 5.084 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(C)c2C)cc1 10167889 YBDVYZJFGKEHOB-UHFFFAOYSA-O 467.605 6.824 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccccc1OC 10242845 UIAWULUGXAXTKU-UHFFFAOYSA-N 488.613 5.052 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc1 10636661 WQTSOUYHFOSWFP-UHFFFAOYSA-N 455.489 5.155 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1F 11082842 TWYJAQVSMDNGOJ-UHFFFAOYSA-O 455.578 6.063 30 20 JKED C=CCn1c(SCC(=O)N(CC)Cc2cccs2)nnc1-c1ccc(Cl)cc1Cl 11149434 HLEMHZAWBRTRAU-UHFFFAOYSA-N 467.447 5.640 30 20 JKED N#CCc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)cc1 15028895 HSITZGGQUUFXST-UHFFFAOYSA-N 493.894 5.478 30 20 JKED COc1cc(/C=C/C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)ccc1OCc1c(C)noc1C 19317461 FWSBMZMHLWQYTD-ACCUITESSA-N 498.539 5.001 30 20 JKED C[C@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 23212883 UHRGUDSINIADQO-HNNXBMFYSA-N 464.518 5.011 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1 23438619 KLVZUNLQFCXZHB-UHFFFAOYSA-N 465.626 5.753 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)cc1 25838636 HJOXBPVLGFNOJH-UHFFFAOYSA-N 489.551 5.744 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccc1Cl 26994464 YJRVZWYSDFXDCC-UHFFFAOYSA-N 489.424 5.647 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc3c(c2)CCCC3)c1C 28793663 QXBJGUWMIJMJNK-UHFFFAOYSA-O 460.623 5.360 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Cc3sc(-c4ccccc4)nc3-c3cccs3)CC2)cc1 105306396 IKYILDPDVJFNFN-UHFFFAOYSA-N 498.677 5.687 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C2CCCC2)c1 108395024 QOAGRUSHNMISHY-QHCPKHFHSA-N 473.038 5.516 30 20 JKED CCCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 110208391 URHIJPGNKRDYAQ-UHFFFAOYSA-N 481.596 5.294 30 20 JKED CN(C(=O)c1cc(F)c(F)c(F)c1F)c1cccc(NC(=O)c2cc(F)c(F)c(F)c2F)c1 195696826 BIFVBHROJQDWPZ-UHFFFAOYSA-N 474.307 5.328 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(Cl)cc1 254396519 WQIFNMMYMZFXOE-OAQYLSRUSA-N 467.978 5.100 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1 255929880 OXAIVVWMJQAZIT-UONOGXRCSA-N 462.406 5.191 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 302944691 MDXJHDLIFSPKEH-WZONZLPQSA-N 478.017 6.003 30 20 JKED CCN(C(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)[C@H](C)c1ccc(C#N)cc1 302963458 PIANZBIGILRTOY-CLOONOSVSA-N 456.546 5.060 30 20 JKED CCCCNC(=O)c1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 478806475 XUNORKPFXCXDAE-UHFFFAOYSA-N 457.599 5.310 30 20 JKED C=CCn1c(SCC(=O)N2CCO[C@@H](c3ccccc3)C2)nnc1-c1ccc(Cl)cc1Cl 479470333 IVGRUVZHHUAUIX-HXUWFJFHSA-N 489.428 5.130 30 20 JKED COc1cc([C@@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1OCc1ccncc1 483031296 WBQWIVXKGQJINB-HXUWFJFHSA-N 479.536 5.824 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)s2)cc1 487353367 NUCGISQGGDHSAY-UHFFFAOYSA-N 480.593 5.250 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 501426278 VGPPYONQAACURU-UHFFFAOYSA-N 470.554 5.568 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cs2)cc1 501452855 RICACLCTLVTVEI-UHFFFAOYSA-N 483.593 5.857 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 504906809 BJYBGVKBFMSPMH-UHFFFAOYSA-N 476.577 5.097 30 20 JKED N#Cc1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)sc2c1CCCC2 506562608 MKXUWYVNDDFJMW-CQSZACIVSA-N 462.402 5.296 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSCCOc1ccc(Cl)cc1Br 507211409 MAHQZYSYQCZRBO-UHFFFAOYSA-N 460.180 5.378 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)CC1 508503790 KJMUQMATWNGCKR-HSZRJFAPSA-N 456.546 5.091 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl 509495818 ZQBFIWAJZMVUAL-UHFFFAOYSA-N 475.976 5.961 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2nccn2C)cc1 510008943 AXIQJPALYPSTEL-NOZRDPDXSA-N 485.975 5.649 30 20 JKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1OC(F)F 510251334 DVBQIJLTROILLE-LBPRGKRZSA-N 461.519 5.186 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Cl)cc1 510488714 FVGREEPURPHOMQ-QHCPKHFHSA-N 457.921 5.649 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1 511355081 KOWCGRDSKOUYFE-UHFFFAOYSA-N 494.551 5.176 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1 511372996 MJZSGOAHONWYSC-RUZDIDTESA-N 469.520 5.115 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 511423403 YNSSOJUPSHUOKJ-IBGZPJMESA-N 483.572 5.498 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)c2)c1 511539187 LKFJMKBVVZICQE-UHFFFAOYSA-N 487.991 5.250 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 514702355 ICEGZZUAFGFLPD-CYBMUJFWSA-N 462.040 5.384 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc12 515542833 AJOYQCHKGFRTPB-FQEVSTJZSA-N 472.570 6.207 30 20 JKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1-c1ccc(Cl)cc1 515675439 DHIGZAVDMDBOMX-UHFFFAOYSA-N 455.905 5.210 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1cccc(Br)c1 516292475 RQQWEMQSIWTLND-UHFFFAOYSA-N 478.346 5.019 30 20 JKED C=CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 517307140 XHVWUXSSFWBWHA-UHFFFAOYSA-N 479.587 5.222 30 20 JKED COc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 518259937 UGNKVAVPCHMWKD-MHZLTWQESA-N 477.520 5.203 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Br)cc1 520186378 KZPPYPZWGWALCI-HSZRJFAPSA-N 478.346 5.319 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 520470506 QADBXJZQJCVPBZ-UHFFFAOYSA-N 485.475 5.342 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 520924466 XOPRPFFMELVFKU-DLBZAZTESA-N 473.545 5.173 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)c1 521749747 YIWMRMOGRQNPPJ-UHFFFAOYSA-N 461.587 5.027 30 20 JKED C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 522246051 HZVTYHPNGFIATA-PTLMECLESA-N 451.570 5.362 30 20 JKED CCOc1ccccc1[C@H](CC)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 522521868 XTTUQHYZBVLYOB-VWNXMTODSA-N 475.976 5.600 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 523320373 ICEFFNNDLXSSPJ-UHFFFAOYSA-N 482.397 5.045 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 588697254 XVEXDJIYZXHXNF-KDOFPFPSSA-N 465.402 5.120 30 20 JKED O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590828366 XIMHPOJOVCBFCD-OKILXGFUSA-N 482.371 6.138 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)cn2)cc1 603689311 HKNGWBWIZGHCOF-UHFFFAOYSA-N 496.354 5.042 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(OCc2cccnc2)cc1 603831616 ZJVVPFAXPZBAEO-FQEVSTJZSA-N 491.551 5.667 30 20 JKED C=CCN(C(=O)c1ccc(Br)cc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603948065 VPVCMCSJRXMQCK-UHFFFAOYSA-N 458.337 5.622 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 603956871 KQPACVANCBDOFU-UHFFFAOYSA-N 451.979 5.885 30 20 JKED N#Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3ccccc3I)cc2)c1 603960517 JXQRSHXJMZGAPO-UHFFFAOYSA-N 482.281 5.059 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003594 OARUOMFKNGKRBN-UHFFFAOYSA-N 467.573 5.110 30 20 JKED CN(CCCCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 604126882 NPHKUTMIXYTFJR-UHFFFAOYSA-N 476.524 5.001 30 20 JKED CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608992014 VEQMREVFNPSHFR-UHFFFAOYSA-N 474.436 5.487 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2Cl)c1 609072756 DGVWISJONFYJKZ-UHFFFAOYSA-N 488.975 5.673 30 20 JKED CN(C(=O)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1)c1ccccc1 609165522 YSHFBLJSWFWBSG-UHFFFAOYSA-N 477.539 5.817 30 20 JKED Cn1ccnc1SCc1cccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 609174186 HFCMWSFKJBMBAE-VWLOTQADSA-N 468.582 5.286 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 609207817 NFDMBOOCDLCBMY-UHFFFAOYSA-N 494.555 5.302 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)cc1 609413515 LVSAFFFUVSEDDA-UHFFFAOYSA-N 451.530 5.202 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)c1ccccc1Br 609437504 CCVLHBRGZGEYTC-IRXDYDNUSA-N 488.451 5.782 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)n(C2CCCCC2)c1C 611169076 DHSHTKPFENYDGH-QGZVFWFLSA-N 477.634 5.942 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)n2)cc1 613314753 YLTADODYQRGTID-OAHLLOKOSA-N 453.449 5.208 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 613426963 MBBSJKLGHMQMME-CVEARBPZSA-N 491.444 5.708 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(CC)cc2)c2cccs2)nnc1-c1ccco1 614011757 BRBUROXVAPPRAW-JOCHJYFZSA-N 464.616 5.346 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622092888 KFGBILVGDUMOII-RABLLNBGSA-N 464.372 6.317 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(COCc2ccco2)c1 623649235 DZYGRKLSMTWAEM-UHFFFAOYSA-N 487.369 5.796 30 20 JKED O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 624888038 NTAOAIKQWYMKFD-BFYDXBDKSA-N 476.383 5.030 30 20 JKED C=CCn1c(S[C@H](C(=O)N(C)Cc2ccc(OC)cc2)C(C)C)nnc1-c1ccc(F)cc1 639430808 SRCQWGXMYXCSHF-QFIPXVFZSA-N 468.598 5.054 30 20 JKED C=CCn1c(SCC(=O)N(C)c2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 642014535 OUXQGNIVPQWVDA-UHFFFAOYSA-N 455.996 5.149 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 726110974 IXSHNHFXDDWWBS-QVKFZJNVSA-N 499.637 5.442 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OCCC)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406659 LLEJOHDHOOOJQF-OAQYLSRUSA-N 482.993 5.147 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)C=C1 726571624 KGZFAUKQYHFOBQ-UHFFFAOYSA-O 464.998 5.013 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCO3)[n+]2ccc(C(CC)CC)cc2)c1 726573217 RLRJXJYMVUSVKE-UHFFFAOYSA-O 469.630 6.117 30 20 JKED COc1ccc(-c2nc(/C=C3/SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)cs2)cc1 726628160 YZLCILWACZKVPV-QGMBQPNBSA-N 470.000 5.750 30 20 JKED CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C(F)(F)F)c1 726727226 ORKXHLCMOVJKBD-QHCPKHFHSA-N 495.501 5.403 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1Cl 726891111 NGRGYOABMPJWKR-QGZVFWFLSA-N 498.819 5.778 30 20 JKED COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 727102431 PVYYKSRAUUHYIC-IZLXSDGUSA-N 475.548 5.460 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2ccc(OC(C)C)cc2)cs1 727258128 UUOJUBNHLYIMPY-UHFFFAOYSA-N 488.038 5.589 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)cn2)c1 728116227 GXPKWWVATQGOQC-NRFANRHFSA-N 452.436 6.133 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 728120250 YIQXCVMVKUYFSN-UHFFFAOYSA-N 472.614 5.321 30 20 JKED CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)n2)cc1 728307900 VMFXNDGBZBCVLG-UHFFFAOYSA-N 483.597 5.020 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CC2)ccc1Cl 728534153 PWNIIDMYKKAULI-HXUWFJFHSA-N 479.429 5.389 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729144203 CJKYZZPUGCWERI-CTNGQTDRSA-N 491.535 5.036 30 20 JKED COc1ccc(-c2ccc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(F)c2)c(F)c1 730472219 BVPKWDUAVZDJSC-STQMWFEESA-N 481.383 6.280 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cocn3)C2=O)cc1Cl 730711723 FSABJELDDGBBBN-OAQYLSRUSA-N 482.993 5.414 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c(=O)oc2c1 730993853 DLSYAWPHPIAMOT-UHFFFAOYSA-N 490.503 5.706 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C[C@H]2CCOc3ccccc32)C1=O)NC1CC1 731152683 SRAQYBGSTBOXAL-KBMIEXCESA-N 485.609 5.006 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@@H]2CCOc3ccccc32)C1=O)NC1CC1 731152887 VLBYTENLLLYJMZ-CPJSRVTESA-N 485.609 5.006 30 20 JKED CCOc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)cc1F 731307099 PLSOHCWFXGDDHU-HSZRJFAPSA-N 493.560 5.091 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@@H](C)c2cccs2)c1 731311546 DTVDEPQQQFABNK-SHZNUGFISA-N 479.627 5.352 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 731400003 KDCJNYYAROZKQD-QFBILLFUSA-N 458.425 6.082 30 20 JKED COc1cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)cc(OC)c1OCc1ccccc1 732763950 NQBORLFDCLWNPO-UHFFFAOYSA-N 466.493 5.066 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)c1 743525009 OHIKQHPJOZPNET-QHCPKHFHSA-N 491.592 5.010 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCOC(C)(C)C)cc1 746698229 XMDBZXWSMXTNHX-HXUWFJFHSA-N 475.561 5.049 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccccc3Br)s2)ccc1S(C)(=O)=O 747061923 QQGWBKWQTNNGOJ-NTMALXAHSA-N 477.401 5.486 30 20 JKED N#C[C@H](Cc1ccccc1)OC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 750060432 GOMGNDVSJCRAQI-IBGZPJMESA-N 475.353 5.086 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@@H](COCC(C)C)c2ccco2)C1=O 750917753 WSGOULBZZKQGPN-HKUYNNGSSA-N 498.432 5.068 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)c3ccccn3)c2C#N)C(C)(C)C1 797540886 DCNBSHAURGBUOY-FPLPWBNLSA-N 489.622 5.958 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 825172134 IOYCWNWUNSGZRL-UHFFFAOYSA-N 461.974 5.883 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837782505 ANASSTWFDDKWLZ-JTSKRJEESA-N 479.005 5.765 30 20 JKED C[C@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCC2 858079437 HSVPKKBPVOUGKE-WMZOPIPTSA-N 478.643 5.270 30 20 JKED CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(Oc4ccccc4C#N)c(Cl)c3)n2)CC1 904992197 XNNMTXXNNZUJLK-UHFFFAOYSA-N 452.898 5.568 30 20 JKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OC)c1Br 915086319 JHSFVOAZGRIGKI-IBGZPJMESA-N 451.320 5.374 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086589 LSVOCNSZRQGNPT-JOCHJYFZSA-N 477.358 5.715 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 915733300 KFHMMSXTHAUQDE-NSOVKSMOSA-N 459.549 5.381 30 20 JKED CCCCOc1ccc(-c2nnc(CSc3nc(O)c(C#N)c(-c4ccc(OC)cc4)n3)o2)cc1 915794598 AKWRGTYLZXXAFM-UHFFFAOYSA-N 489.557 5.251 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(C3CCCC3)C2=O)c(OC)c1 916212120 UAXDIPKMJAGNIF-QHCPKHFHSA-N 481.618 5.224 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 916908436 PVJSDJNWOBUJIR-AOYPEHQESA-N 464.569 5.466 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916915558 FNDUMXZRFPVTLR-NRFANRHFSA-N 480.911 5.900 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 916955737 UCSQJPSSWRVIFA-QVKFZJNVSA-N 496.430 5.976 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 916973959 AXFXJOUMZFJKIL-ICSRJNTNSA-N 483.515 5.362 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=S)N[C@H]1c1cccc(C#N)c1 917378525 LEUYAJOWJRVSAP-SANMLTNESA-N 482.609 5.478 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)s2)c1 917696511 PMYIFDWBKHUQEB-JOCHJYFZSA-N 492.626 5.175 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)Cc2cccc(Br)c2)c1=S 918180691 CTNLJAAHOOAGJE-UHFFFAOYSA-N 477.403 5.170 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918543999 ALHSLPKULAXYIC-UPWLQVFWSA-N 499.662 5.114 30 20 JKED Cc1nccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(C)o2)CC3(C)C)n1 919465054 WEHUQYNTRDCARF-VURMDHGXSA-N 488.569 5.193 30 20 JKED Cc1cc(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c2ccc(Br)cc2n1 919521148 CHTXYSWNQAWUHG-UHFFFAOYSA-N 486.753 5.063 30 20 JKED CO[C@@H](C)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1sccc1C)CC2(C)C 919594313 WHRCOEHIQWOILY-XHPSBEMXSA-N 470.616 5.284 30 20 JKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(OC)c(Br)c3)cs2)cc1 920064229 QPQINVISBAJRJM-WTKPLQERSA-N 460.349 5.398 30 20 JKED Cn1c([C@@H](C#N)C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)nc2ccccc21 920103256 SMYZXGZUQJBPEJ-INIZCTEOSA-N 474.351 5.773 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(C)C)c1 920358823 BYNONYDJZMIILY-HSZRJFAPSA-N 494.592 5.714 30 20 JKED CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc3c(c2)CCC3)cc1 920395772 MEIZCEPAHNVKST-UHFFFAOYSA-O 474.650 5.733 30 20 JKED N#CCCn1cc(C(=O)COC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c2ccccc21 920428097 UBATWPMAPHSICJ-UHFFFAOYSA-N 463.946 5.300 30 20 JKED Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cc(O)ccc2C)c1C 920484830 WNWZENCXMGPWSX-UHFFFAOYSA-O 490.649 5.725 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1Cl 921221993 CQXRFLOOQZXYHO-UHFFFAOYSA-N 466.733 5.437 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 928966582 FXDORMSZKVHMFZ-FPOVZHCZSA-N 467.660 5.486 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1785907358 BTYPLXJBHGGKBM-QHCPKHFHSA-N 483.653 5.534 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)on1 1786042598 LRMPCPFGZFCBNJ-UHFFFAOYSA-N 456.546 5.050 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cn1 1786727690 HCSQLVSBFDCNIX-FQEVSTJZSA-N 482.584 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(F)nc4)cc3)CCC2)c1 1786818425 CDVJRTMGTRRNGL-LJQANCHMSA-N 470.548 5.228 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccoc3C)cc2)CCC1)NC(=O)OC(C)(C)C 1787366033 GYEBEZNXJVTGCG-OAQYLSRUSA-N 481.593 5.195 30 20 JKED CO[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1)c1ccccc1 1787716939 FFQPPVYVHXLMMU-FQRUVTKNSA-N 467.569 5.449 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1)C(F)(F)F 1787950659 FSJNAZZKXSUORM-PMVMPFDFSA-N 483.534 5.617 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3onc4ccccc34)CCC2)cc1 1788649915 IWNHEJZUSHPZGN-OUKQBFOZSA-N 471.538 5.076 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2)CCC1 1788685706 SWBFHSCGWRHDID-UHFFFAOYSA-N 482.556 5.473 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789169658 KCWLLAHVJJEVOG-REWPJTCUSA-N 481.637 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccccc45)cc3)CCC2)c1 1789284021 NJKHJMBMKVCSTA-SFHVURJKSA-N 463.541 5.251 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)cn4)cc3)CCC2)c1 1789735824 UENFIDSTYVYIEI-QGZVFWFLSA-N 458.949 5.424 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cnc1C 1790081909 OFVWCPCWKIHGKM-UHFFFAOYSA-N 458.949 5.285 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C=O)s4)CCC3)cc2)c1Cl 1790081913 ZFJMZUHHLFNCMR-UHFFFAOYSA-N 463.946 5.147 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ncccc45)CCC3)cc2)c(C#N)c1 1790473135 WTXUZFKFYGEEIQ-UHFFFAOYSA-N 490.563 5.105 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1 1790510968 BKZKDAOAPMRLTE-UHFFFAOYSA-N 475.372 5.251 30 20 JKED Cn1cc2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5Cl)cc4)CCC3)ccc2n1 1790768008 YMWMTFIDCPAUFL-UHFFFAOYSA-N 483.959 5.160 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CCC1 1791186533 CWKPRJXNWGWNDH-UHFFFAOYSA-N 462.537 5.301 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1 1792122055 AANSXVHYMGNGTI-FQEVSTJZSA-N 467.569 5.313 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)c1 1792122722 VQEZBHHVQYHYCX-HXUWFJFHSA-N 462.553 5.176 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3C3CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205775 WBGFMRGZMVURQV-VABKMULXSA-N 481.637 5.026 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cccc(Br)c3n1)C2 1793052681 KAESQMJQSQQZNX-ACDBMABISA-N 482.422 5.018 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc[nH]c3cc2Cl)c1 1797613369 GKMOJMULOGQWFT-KQLYMOGASA-N 460.965 5.014 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccccc3)n3ccccc23)c1 1799098792 SIBNUAXUAGODGB-OOSCYNTBSA-N 488.591 5.352 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)[C@@H]2c2cccnc2)C1 1802417718 KXBDEVUMWDJUIW-HRAATJIYSA-N 477.914 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccnc1 1802496354 PUMJDVQCFCIODI-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)C1 1804859338 XOQMXQYVHIDGHR-RNXOBYDBSA-N 477.693 5.588 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C#N)cc3)C2)CC1)c1ccccc1 1804942995 RUJBPILUKWANQV-FIPFOOKPSA-N 471.645 5.162 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3cc(F)ccc3Br)C2)CC1 1806570065 QXRDXZGDENEPPC-NRFANRHFSA-N 491.445 5.130 30 20 JKED Cc1ccsc1C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1 1808082452 PFLBJBMJFBSJFO-UHFFFAOYSA-N 475.536 5.106 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3ccncc3-c3cccc(C)c3)C2)CC1 1810344290 LYFIGPWTBNKPGO-UHFFFAOYSA-N 457.618 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1810494685 FXAYCHLDUFQVCY-SQHAQQRYSA-N 484.644 5.697 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccnc1 1811108322 IHCQELPZBGBNEB-UTKZUKDTSA-N 475.420 5.095 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)CC1 1811730366 TYCZKTCFWSKOMS-BKMJKUGQSA-N 476.596 5.018 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1811748989 IIZWHJCCTIPHTK-HBNGBVNPSA-N 493.051 5.533 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811861879 HERZFDVFLBAACU-MDNUFGMLSA-N 471.523 5.188 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)ccc2c1 1814379511 BULPCAZOHSPILK-AREMUKBSSA-N 492.583 5.077 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c1 1814738578 AQXKNXVFEOUABZ-OAQYLSRUSA-N 479.943 5.013 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)[nH]n2)c1 1814740011 QUIZRGFYIYYLIR-OAHPJDTOSA-N 493.611 5.028 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)[nH]n1 1814829749 SFYCDWFJCHFUQN-OAQYLSRUSA-N 462.550 5.244 30 20 JKED O=C(C[C@@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1815607719 HJGYVNLCEXZRPJ-AHKZPQOWSA-N 496.611 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C(F)(F)F)CCC3)n[nH]2)c1 1817195081 FDAIMSZUBFEZCC-KXBFYZLASA-N 473.499 5.075 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1)c1ccc(O)cc1 1818809897 JMCFFCLHBIFMHR-SLSDLSHTSA-N 474.605 5.051 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4cc(OC)ccc4o3)sc2C1 1818958534 BDOJMDZXVLGFJD-MRXNPFEDSA-N 467.591 5.116 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1)C(F)(F)F 1818971591 GIJYULNPCBWDOE-LJQANCHMSA-N 491.901 5.344 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)[nH]n1 1819555392 DRCBIICUSTXUGD-KRWDZBQOSA-N 464.397 5.410 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)nc2)n[nH]1 1820036460 WWDSTPBPSKMCPO-WIOPSUGQSA-N 469.589 5.546 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3cccnc3)cc2)n[nH]1 1821002518 BOIFCTNQIZOQGD-VWLOTQADSA-N 469.589 5.546 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)cc1 1821310397 SSADOXHYXJJEGU-OAQYLSRUSA-N 481.478 5.228 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)cc(C(F)(F)F)c1 1821311397 XKNTWFCNSLNAKO-MHVXWQKQSA-N 499.537 5.576 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(C#N)c2)n[nH]1 1821321652 FONMFSPGOXFSPV-YAECTWJJSA-N 459.575 5.061 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(Br)c(F)c2)[nH]n1 1821926858 XXOINYRDWBHHOP-FOIQADDNSA-N 491.405 5.148 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1822579529 FKDUVDIGVQYFPC-RUZDIDTESA-N 469.589 5.280 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)n[nH]2)C1 1823308232 AZPKJAOHMQYMDU-GOSISDBHSA-N 466.891 5.354 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1823416869 QGCBFRZCYUFPIE-KXNZUKPASA-N 467.013 5.443 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1 1824140287 ZQQKOEQSGJYAKH-MHZLTWQESA-N 459.634 5.165 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1824538207 JBCSWDBBDQAOLP-WOJBJXKFSA-N 474.564 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC(F)(F)F)CC2)c1 1824875030 LKNWGFXJPOHGJD-AVRDEDQJSA-N 463.544 5.280 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1824960555 GOGHSJMQVGHIOI-RUZDIDTESA-N 478.658 5.631 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)s3)CC2)cc1C#N 1825352752 KXCRQJMXAUFXKK-NRFANRHFSA-N 483.609 5.093 30 20 JKED CCc1oncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1826172954 IZDFXEXOBKXAGN-MUUNZHRXSA-N 495.623 5.184 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)cc1 1826499736 XXYBHKYEQAVYDJ-SANMLTNESA-N 478.036 5.007 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826672082 CNJGEJHETVCTKF-SFHVURJKSA-N 482.440 5.420 30 20 JKED Cc1ccc(SCC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc([C@H](C)C#N)c4)sc3C2)cc1 1827696475 CZPSDGGOQHQDMB-XLIONFOSSA-N 490.654 5.097 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2Br)CC1 1827766911 DRZDJZQFSRIDIK-HXUWFJFHSA-N 463.416 5.044 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)ccc2n1 1828230392 CJGWSFRYUGLOGD-GDLZYMKVSA-N 494.639 5.281 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1828397185 KIOAMPACRNFAPW-LDVJMBRRSA-N 463.087 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](C)Oc2ccccc2)CC1 1828830120 LNZVYFGBVBILKK-DFCKQENNSA-N 452.639 5.232 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2ccncc2)CC1)c1ccccc1 1829034830 FJBKBTOGAVSVPE-GHPJVDHGSA-N 485.672 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 1829066308 AYLVYXYZZJCPMF-AREMUKBSSA-N 461.650 5.769 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)c1 1829491030 HRMPNUQCYFWERY-NDEPHWFRSA-N 478.596 5.167 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCC#N)CC3)ccc21 1829695414 PQDZOOZIRAMVCP-VWLOTQADSA-N 470.617 5.351 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830345031 TXNDJOISUGUMFX-JOCHJYFZSA-N 495.447 5.045 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1830413461 BFGPSMGQMSRPMA-XMSQKQJNSA-N 498.590 5.122 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1830680006 YRDAXWWYFNVKOF-AREMUKBSSA-N 494.676 5.486 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)cc1C#N 1830910455 JPHHAJPYNGPMEQ-AREMUKBSSA-N 499.611 5.639 30 20 JKED COc1cc(Cl)ccc1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1831242428 AYCAPBYNNDWROU-RUZDIDTESA-N 494.035 5.005 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(OC(F)(F)F)cc3)CC2)C1 1831315699 SICKTLZCJIDIPP-HSZRJFAPSA-N 478.555 5.104 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1831445001 YEEPVXJGQNUNCO-HXUWFJFHSA-N 490.488 5.218 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2s1 1832633491 IEONJLOWTWDCRL-IQGLISFBSA-N 488.657 5.712 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832709452 VLDHXDWBTDLNSA-GOSISDBHSA-N 482.440 5.420 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832720569 XXIRWCMSIPBDSN-NRFANRHFSA-N 468.947 5.396 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c[nH]c2c1 1832961081 AXKHKNPAYWAFNN-LNMUWQJVSA-N 480.612 5.295 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)CCc3ccc(C)c4ccccc34)CC2)CC1 1838756991 AXBYHCRQPHWYPD-UHFFFAOYSA-N 498.614 5.291 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)c1Cl 1845374689 ZBKFLTQXIDKNFD-UHFFFAOYSA-N 482.289 5.015 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)c1ccc(F)c(F)c1CSc1ccccc1)C2 1846012090 ICQSTKCRXRQTEH-UHFFFAOYSA-N 492.538 5.286 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NC1(C#N)CCCCC1 8988941 OXBPSKPYBTTWNK-MRXNPFEDSA-N 458.031 5.537 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)c1C 10167767 YGTOQCJOWNHLGM-UHFFFAOYSA-O 496.612 6.141 30 20 JKED COc1ccc(OCc2nnc(SCc3ccc(C#N)cc3F)n2-c2ccccc2F)cc1 11022198 CRSBRCMDDISSPZ-UHFFFAOYSA-N 464.497 5.297 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2scc(-c3cccs3)c2c1=O 11382452 KCPOJLWKHLJURX-ZDUSSCGKSA-N 498.611 5.400 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1Cl 14373407 XTLPSCMFRUEYEP-UHFFFAOYSA-N 495.815 6.280 30 20 JKED N#CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)cc1 15817990 VPZRDSPITRLQGU-UHFFFAOYSA-N 450.281 5.112 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccc(OC)cc1 22213361 KEYDMXKJQMGXCO-HSZRJFAPSA-N 474.561 5.751 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(C(CC)CC)cc2)cc1 22695509 CYWYKDXVFIFUKI-UHFFFAOYSA-O 475.678 6.944 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(C(CC)CC)cc2)cc1 22695821 HACPPCOVRKUFDL-UHFFFAOYSA-O 461.651 6.636 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)NCCc2ccccc2)cc1 22735219 SKLMEJVAFGSCJY-UHFFFAOYSA-O 459.679 6.266 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 22797081 CFBOOPBQVJASJH-UHFFFAOYSA-O 457.663 5.967 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)nnc1-c1ccc(Cl)cc1 23222313 FOKYCJSFTUCYFN-LJQANCHMSA-N 493.976 5.441 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(NCc3ccccc3)s2)c1 23291230 BFYIJMPYXNDPIS-GOSISDBHSA-N 451.621 5.195 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1c[nH]c2ccccc12 23421247 NNAUNTIPWCOUOT-UHFFFAOYSA-N 478.581 5.373 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nnc1-c1ccoc1C 23592446 QVGKDSBHFXIRAI-HNNXBMFYSA-N 475.599 5.851 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc2c(c1)CCCC2 28811012 SCAKKHKAJLAINH-UHFFFAOYSA-O 494.478 6.229 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 106032742 ZLSCLUZARWYRRL-SANMLTNESA-N 451.574 5.031 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 106204628 FYBQSIUGTDPLST-UHFFFAOYSA-N 465.724 5.622 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccccc1F 216283153 ONZSTUVDPODTMZ-INIZCTEOSA-N 466.582 5.618 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cc(-c4cccc(Cl)c4)no3)nc2C)n[nH]c1=S 302978703 COBYXOUETXVLDT-UHFFFAOYSA-N 458.956 5.119 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 490645698 CGIPFNXEGNGDQH-UHFFFAOYSA-N 455.514 5.192 30 20 JKED CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 498320350 AFSZZFWFTMDNOT-SFHVURJKSA-N 454.592 5.095 30 20 JKED CCc1nc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nn1-c1ccccc1Cl 498371048 DEIUSVGAAJZQEO-UHFFFAOYSA-N 473.939 5.336 30 20 JKED CCn1c(SCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)nnc1-c1cccs1 501151047 OOSQBNAAWWXYLM-UHFFFAOYSA-N 491.617 5.671 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 502660211 DDGZDZQOUALRJC-UHFFFAOYSA-N 488.382 6.122 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1Cl 505644924 LYLQQGBUFSSFOQ-QFIPXVFZSA-N 465.912 5.365 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)cc1 508323064 AMYZBDHLZWTFMG-UHFFFAOYSA-N 476.646 5.087 30 20 JKED COC[C@@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)nnc1-c1ccccc1 508959143 MBHZPCLJJKTMJB-QGZVFWFLSA-N 495.674 5.475 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 510237353 DQPOPYTXCPQTEX-LJQANCHMSA-N 473.598 5.374 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 510871771 HVGBTAHRJOBAED-UHFFFAOYSA-N 465.557 5.270 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 510888214 VBAGCEJNEGUFTP-SFHVURJKSA-N 469.545 5.826 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CSc3nnc(N)s3)c2C#N)C(C)(C)C1 512567053 YQYZSFPLDOBIQF-PLNGDYQASA-N 499.712 5.932 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)n1 513542602 GRNHHKYDHVQBDH-UHFFFAOYSA-N 463.632 5.214 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 515269868 YBBIVPMMGWXAPE-QHCPKHFHSA-N 486.528 5.099 30 20 JKED CCc1cc(C#N)c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)s1 515710929 GREUBYLSFIHUOW-UHFFFAOYSA-N 470.337 5.542 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)c3cccc(Cl)c3)CC2)c1 517079086 GLDSRGFVMGMIEP-LZYPDUGYSA-N 492.019 5.055 30 20 JKED Cc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1NC(=O)c1ccccc1F 517305882 IUMRUSPNAYPDQL-HXUWFJFHSA-N 489.959 6.653 30 20 JKED C[C@@H](Nc1ccccc1OC[C@H]1CCCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2 518014276 XKCQATQYEAOQDU-QZTJIDSGSA-N 453.608 5.276 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 518120239 QLTMXOPQGKQGNR-OAHLLOKOSA-N 490.972 5.772 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)CC1 518198875 XIXSVGDGXKRVMV-UHFFFAOYSA-N 496.552 5.333 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccccc1S[C@H](C)CC#N 518256451 WNPJNUVABGQGME-OAHLLOKOSA-N 469.998 5.827 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)n1 518662456 GOSZCXMLVLPDHA-ZDUSSCGKSA-N 451.356 5.845 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c1 518761027 AWHURKMKADPBKJ-UHFFFAOYSA-N 469.610 5.147 30 20 JKED Cc1ccc(-c2nc(CCNC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)co2)cc1 519029393 OXROKBUZZMKIIY-UHFFFAOYSA-N 465.513 5.138 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc(OCC)c2)nnc1-c1ccc(Cl)cc1Cl 519876728 LTPCDEPSQYCURF-OAHLLOKOSA-N 491.444 5.806 30 20 JKED N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)c1 521029432 SKJADDVGTSEEBZ-UHFFFAOYSA-N 458.276 5.051 30 20 JKED Cc1nc(CCC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc1-c1ccc(Br)cc1 521725287 BLYQQTOVADHUOC-HNNXBMFYSA-N 484.419 6.236 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCc3ccc4ccccc4c3)cc2Cl)c1 524428747 XNILEAOGYYJFAA-UHFFFAOYSA-N 483.955 5.241 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 552988066 LLQKYJWGZCIKSL-UHFFFAOYSA-N 477.489 5.816 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc(-c3ccco3)nc3ccccc23)cc1 561161535 VCCYOZGHKDSCGS-UHFFFAOYSA-N 458.543 5.327 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ncccn2)no1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 589894371 JHQUCYBMSQIYIS-UHFFFAOYSA-N 494.580 5.469 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 590183779 PHZGWXXIZFYTQT-UHFFFAOYSA-N 461.518 5.381 30 20 JKED N#C[C@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1 590209128 WRYSYFDBYDSIRT-GOSISDBHSA-N 465.525 5.385 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 590234746 ZYHGFOZGBLUQBM-UHFFFAOYSA-N 485.281 6.320 30 20 JKED N#CCCCOc1cccc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)c1 603971125 WNRIXUMCMKDOQP-UHFFFAOYSA-N 476.580 5.728 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603992358 SCKJWQOBVXJWGX-JOCHJYFZSA-N 463.990 5.432 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 604004132 YOKOGAHSBPXXPD-UHFFFAOYSA-N 473.985 6.290 30 20 JKED CN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604157267 BZANPIWBBPXEJE-NRFANRHFSA-N 452.341 5.246 30 20 JKED CCOC(=O)c1sc(NC(=O)c2csc(-c3cc(Br)cs3)n2)c(C#N)c1C 604231166 CQYZCEZOXPIEIU-UHFFFAOYSA-N 482.406 5.305 30 20 JKED CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 608994837 VINCVTGBZYVZOB-OAQYLSRUSA-N 468.891 5.376 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 609427794 LVSZVEXMXHTFGE-CQSZACIVSA-N 454.552 5.110 30 20 JKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1OC 642281340 BMAFQVXOAIPZBA-CQSZACIVSA-N 463.342 5.633 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)n2)cc1 726324794 GVIAMSARCQVUKX-XPPIMPSXSA-N 474.630 5.503 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1F 726411495 MRGGYQDNTBGXGX-NYHFZMIOSA-N 496.539 5.090 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CC(F)(F)F)C1=O 726422734 YNCGGKIWMJVIGP-IYNJCINKSA-N 489.972 5.662 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCC3)cc1 726571329 SUZGQMYGKLLVAO-UHFFFAOYSA-O 461.010 5.874 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(C(C)(C)C)cc2)c1 726573600 MALPUGHIZBTDIM-UHFFFAOYSA-O 472.590 5.793 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)cc1Cl 726889923 IGAUNNUVRIOSBG-IBGZPJMESA-N 478.401 5.433 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 728063168 YEXQPFRXGMGNBM-INIZCTEOSA-N 464.909 5.446 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCCC#N 728775878 DVLYTIQCKHTAEQ-FQEVSTJZSA-N 452.555 5.097 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCc2ccc(OCC#N)cc2)cc1 729242503 VTBCHTMPMUAAJQ-OEAKJJBVSA-N 483.549 5.303 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ncccc3C)C2=O)c1 729633629 FWVSEBSSNZABCT-DEOSSOPVSA-N 488.613 5.176 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 729634693 RCEQUXVDIXTAQL-RUZDIDTESA-N 480.593 5.704 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CCC1)c1cccs1 730462296 MIMZIGZLWAVQIT-IGJVJINTSA-N 492.464 5.453 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730943990 PFNGMZSDGQYNNM-MBSDFSHPSA-N 476.577 5.559 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](OCCC)CC2)ccc1Cl 730989312 KMXXDHXKKLYTFM-QFIPXVFZSA-N 491.053 5.143 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)COc1ccc2oc3ccccc3c2c1 731060772 PZROCYSJYXFDAC-KRWDZBQOSA-N 474.538 5.398 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)c(N)c1 731079174 CAFNOCDFAKLZDN-KRWDZBQOSA-N 461.543 5.251 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1CCN(c2nc3ccccc3s2)CC1 731079580 DYLTZXQLJYTITE-KRWDZBQOSA-N 494.642 5.089 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731307905 WBKIITREJKRCMZ-NOZRDPDXSA-N 489.572 5.643 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccs1)c1cccs1 731313403 YVGGARBKKFBIKB-RCDCTDEFSA-N 471.629 5.105 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2)c1 731331362 DGPNOLMWGMTURJ-UHFFFAOYSA-N 495.988 5.431 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(CC(F)(F)F)C2=O)cc1 799212782 KFUBNEKGFAOGCO-SFHVURJKSA-N 497.926 5.374 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 799214218 HSVXXVCERXZKIR-HNNXBMFYSA-N 459.852 5.002 30 20 JKED C[C@@H](OC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F)c1nnc(-c2cccc(Cl)c2)o1 809684468 CYBFZTSXNMYRGL-ZWLSGLHFSA-N 465.815 5.365 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c2ccccc21 811756832 TYPJRAWRDMYDNK-UHFFFAOYSA-N 464.481 5.040 30 20 JKED COc1cc(C#N)ccc1OC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 818031172 BKCVTFFTTVZMHC-AWEZNQCLSA-N 477.567 5.171 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1C1CCN(C2CC2)CC1 837284339 FZEBOLQJUVTJGE-HSZRJFAPSA-N 494.636 5.030 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1F 838233374 UWFNRZLCCXQJLB-AOMKIAJQSA-N 480.540 5.390 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)nc3ccccc3c2=O)nc1 856179325 XPRLWTHWTUWDQD-OAQYLSRUSA-N 497.624 5.133 30 20 JKED N#Cc1ccc(N2C[C@@H](c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)CC2=O)cc1Cl 904490643 VNCAVECPBBDYRR-FQEVSTJZSA-N 494.942 5.180 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(Cc2ccco2)C(C)C)ccc1Cl 914483571 DRTKOSNKKZSPRL-UHFFFAOYSA-N 472.994 5.365 30 20 JKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(Br)o2)n(Cc2ccccc2)c1=S 914783370 ZRFAATMGUQEFHQ-UHFFFAOYSA-N 494.418 5.446 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915086756 MMFUXOXMRSXQCG-XJGOYTCSSA-N 481.596 5.763 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccc(OCc2ccccc2C#N)cc1 915513557 ARSHQBDOWQZSSG-FQEVSTJZSA-N 456.542 5.753 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916131519 WIPMLZAOSPGYIW-ZSOIEALJSA-N 498.501 5.694 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(OC)ccc(Br)c3[nH]2)cc1 916916043 UIFOAYSHEXJLOX-QGZVFWFLSA-N 468.351 5.243 30 20 JKED CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977014 ZWNFPRDDMAQUFU-PZJWPPBQSA-N 466.994 5.164 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 917042278 AKIPGJZYDVVBDJ-VGVVRCBHSA-N 456.367 6.103 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cc1 917517551 HQEYQDLRBNCVGP-YFHOEESVSA-N 480.387 5.781 30 20 JKED CCOc1ccc(Oc2c(C=Nn3c(C)nc4sccc4c3=O)c(C)nn2-c2ccccc2)cc1 917580903 YLDCTCOGHWOQFN-UHFFFAOYSA-N 485.569 5.334 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)cc1 917683084 RGNLRZBKDNFFSS-JBRSBNLGSA-N 490.673 5.199 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c1 917712115 DWZKSOMRPVFPDW-DSNGMDLFSA-N 490.673 5.397 30 20 JKED C#CCN1CCC(C(=O)NC[C@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 919964147 QHRNKPFRRSLZEH-HHHXNRCGSA-N 461.609 5.428 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920108684 AEKQQIILYSOAHF-QGZVFWFLSA-N 483.293 5.350 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 920109251 NCRIAVNSEJPNRE-INIZCTEOSA-N 458.008 5.540 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 920141510 PRMDJFCBKKWKNA-NRFANRHFSA-N 460.518 5.026 30 20 JKED N#C[C@H](C(=O)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2s1 920324416 LGLRXGSOXNYWKD-UEMHCFCUSA-N 483.637 5.416 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1 920635874 OFQWBYGUZUDTLC-UHFFFAOYSA-N 455.297 5.240 30 20 JKED N#Cc1ccc(COC(=O)CC23C[C@@H]4C[C@H](C2)CC(C(=O)OCc2ccc(C#N)cc2)(C4)C3)cc1 920656239 XARPKTIQDPSKFA-UXRGOTNFSA-N 468.553 5.193 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)n(Cc2ccco2)c1C 920772311 RRYDTGCHUIMLMU-UHFFFAOYSA-N 467.525 5.009 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1C 920893318 QCJGZVGNKDUTQK-UHFFFAOYSA-N 471.344 5.183 30 20 JKED O=C1/C(=C\c2ccc(O)c(Cl)c2)CN(CC(F)(F)F)C/C1=C\c1ccc(O)c(Cl)c1 921270647 WHTRIKGWVCBROQ-YOENDLTHSA-N 458.263 5.319 30 20 JKED Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)n1 1786737212 QJCNPELMLVZVRW-UHFFFAOYSA-N 472.976 5.296 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)c(O)n1 1787172892 FBGJYEWKNJHFMP-UHFFFAOYSA-N 492.579 5.516 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)cc2)CCC1 1789220187 JHTNQYJFMZBKQM-UHFFFAOYSA-N 497.599 5.060 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)cc2)CCC1 1789287727 ZSKARMOCLAUGHB-UHFFFAOYSA-N 492.448 5.312 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1789490450 WRNGZBSGASXUFH-JOCHJYFZSA-N 465.981 5.142 30 20 JKED COc1cc(OC)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c1 1790278675 ARWRKHGCRHXVCS-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)Cc4cc5cccnc5cc4F)cc3)CCC2)c1 1790476925 LHDBEAAFVSWHGD-UHFFFAOYSA-N 496.517 5.375 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@]4(F)Cl)CCC3)cc2)cc(C(F)(F)F)c1 1790787361 IAEHDUUMXPSMHY-PGRDOPGGSA-N 479.861 5.249 30 20 JKED Cc1nc2ccc(F)cn2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1790881616 KLXLOPKYTXAGCN-GOSISDBHSA-N 495.558 5.470 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1791244170 OHTCQTIWXOVBAI-GCJKJVERSA-N 469.626 5.026 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(Br)cccc4n3)CCC2)cc1 1791250530 TWNNHIHSSZZWLW-MRXNPFEDSA-N 481.394 5.057 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)CCC2)cc1 1791582755 BSELPVPFRVTCFB-UHFFFAOYSA-N 461.949 5.546 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(SC)cc3)cc2)CCC1 1791734453 FAAPQESVNFZNBJ-UHFFFAOYSA-N 452.620 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)c1 1792127171 RXNDVGPMCYYOFO-HXUWFJFHSA-N 474.564 5.923 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)cc1C#N 1792169300 DEXWXAYMYAHECW-UHFFFAOYSA-N 495.570 5.919 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3cccs3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204333 YMWGZLYCRAABDG-OAQYLSRUSA-N 497.661 5.284 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C34CC(c5ccccc5)(C3)C4)cc2)CCC1 1792377864 GPKPYYBFRSBWFO-UHFFFAOYSA-N 458.602 5.225 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1Cl 1793935929 IEGHHPHLTQWEFP-AXBYMPLYSA-N 487.909 5.196 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)ccc1Br 1797875921 VPSUFIFWVCQPQF-CJHLONAUSA-N 498.465 5.179 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1798401217 DHNPLUDBDUAQFD-WLXSAPIGSA-N 495.664 5.544 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl)c1ccc(O)cc1 1799548481 NPHJBISABJZRJS-YSTOQKLRSA-N 485.411 5.148 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)c1 1800767852 FEKWHPMYFUYTQB-QEIWAGNOSA-N 485.534 5.378 30 20 JKED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1802691302 LZCYSAWBLLEJGH-NLFFAJNJSA-N 497.624 5.161 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1803092920 NDMAAECTTOCOQI-OFNKIYASSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)COc2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1803430403 ZFVTZSRIPUKMND-AOYPEHQESA-N 477.649 5.084 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 1803871100 VCJYPRWWUQXCCU-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1 1810493878 BBFZNAHBWPMABH-KCWPFWIISA-N 472.633 5.194 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)cc1 1811361103 VXCWNQCSARONOW-YKSBVNFPSA-N 486.622 5.057 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1812592311 RZOPSPTUXMMNQO-JNMBUGSCSA-N 498.652 5.823 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1813223002 FGIBRVPAISIBQI-CUNXSJBXSA-N 490.003 5.508 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1813864103 UVRILLKYKMECCQ-FFXTYUKCSA-N 498.652 5.209 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3csc4c3CCCC4)[C@H]2c2cccnc2)c1 1813865216 CNEZSKGCBYQFGF-PSNDRKBRSA-N 498.652 5.282 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813869013 WJDHWPJQPDPGMJ-UNUDWIFVSA-N 494.639 5.541 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)[nH]n2)C1 1814395431 UEWYBEOWOORTRP-GOSISDBHSA-N 454.983 5.550 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccc(Cl)cc1 1818114190 MOIBXFMFSZUIRL-ONHSTZBPSA-N 497.020 5.360 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1819301864 UKZSITDDFSMXQH-PGRDOPGGSA-N 465.985 5.619 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)[nH]n1 1819305454 JQYUSLBGFUBJNE-KSFYIVLOSA-N 467.520 5.244 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)[nH]n1 1819309566 XHMFNXXICMIJMB-GBXCKJPGSA-N 480.584 5.412 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1)C(F)(F)F 1820095211 COIRDKHRHPCCAQ-SFHVURJKSA-N 499.518 5.597 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)n[nH]2)CCC1 1820150334 HCFJFMVTWARWIP-HSZRJFAPSA-N 492.583 5.329 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1F 1820220077 JQBRLBUXPJZJET-HXUWFJFHSA-N 465.916 5.002 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)c(C#N)c2)n[nH]1)c1ccccc1 1820910315 FZRPQQZPUSXKQD-RPLLCQBOSA-N 487.579 5.095 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)c(Br)cc3Cl)n[nH]2)C1 1821083373 MRRJYBFAYJQHJO-GOSISDBHSA-N 495.780 5.237 30 20 JKED C#CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821175630 MCTHSOKFBJGXQL-SFHVURJKSA-N 486.597 5.304 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(C)cc2Br)n[nH]1 1821360167 IQPYOKQKKLDRQM-FQEVSTJZSA-N 489.389 5.119 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)CCCCC)n[nH]1 1822002621 TUNOWBKFFRTWKW-ZJOUEHCJSA-N 489.661 5.088 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1)c1ccc(O)cc1 1822465453 SJJZUMKLPFVEGS-VXSCLSAESA-N 488.613 5.080 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)[nH]n2)c1 1823210324 CVMHVASJQOSVSA-MHECFPHRSA-N 485.563 5.214 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4cc[nH]n4)cc3)[nH]n2)c1 1823217128 QGOCLYWNOQNPEN-BVZFJXPGSA-N 493.571 5.047 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)[nH]n1 1823422840 QJHQPEFKFZOHJA-HSZRJFAPSA-N 490.991 5.361 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)cc1 1823683659 QOLCTNSMBKDWQX-VWLOTQADSA-N 486.641 5.034 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1823925341 RYJSNOAPXADGHK-KBMIEXCESA-N 477.580 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)CC1 1824144731 DSAUADZIZHWGEX-IZLXSDGUSA-N 479.709 5.458 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1824851180 YYGVTPMHUBUBJE-QHCPKHFHSA-N 480.546 5.200 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccoc2)CC1)c1ccccc1 1825055079 ZQRQTJQFUPGPLH-WUEBPXKCSA-N 458.602 5.110 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCCCc2ccccc2)CC1 1826693810 IVKPXFNXAYRVPV-MHZLTWQESA-N 465.682 5.883 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1827806720 UJKXXLMJGAHLIL-JOCHJYFZSA-N 456.011 5.129 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1828456878 YSPFHXCENLZAGB-DSYNPFFXSA-N 458.687 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1828821956 ABKZRSMQEUWFMY-XNMGPUDCSA-N 477.624 5.823 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1828827506 XCBUYPDRNRTITL-RPWUZVMVSA-N 477.674 5.812 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1828903800 GUGUKZPJUXMWGA-NRFANRHFSA-N 474.743 5.041 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccn3)nc3ncccc23)CC1 1829599870 XOHQNWGOAGNSFJ-JIPXPUAJSA-N 497.643 5.137 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4[nH]ccc4s3)CC2)c1Cl 1829690285 VCDSBZFBRQKHFH-HXUWFJFHSA-N 481.021 5.302 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1830004289 JUOLLRQOKCGWNH-AREMUKBSSA-N 473.617 5.201 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)cc1 1830628872 NYYZUSQLTZBDKI-NRFANRHFSA-N 477.655 5.576 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1C 1830672861 GQEVWMKBVIICFS-MHZLTWQESA-N 487.644 5.050 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)cc2s1 1830716792 KNEMMVLWTOHFMI-HSZRJFAPSA-N 478.593 5.096 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830873115 UATUTXWMBHSMTG-HSZRJFAPSA-N 472.054 5.041 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)cc2s1 1830889191 HXNVVOYTPHWYEJ-CQQBXOTJSA-N 495.670 5.272 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1831370885 QWCRGPDBGRJXEO-WXVAWEFUSA-N 459.634 5.503 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1)C(F)(F)F 1831969398 NOGHAHMKILFPND-XTXLJPNXSA-N 499.371 5.201 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(C)cc2Br)CC1 1832029978 ANENRNYCRNQMPA-QHCPKHFHSA-N 491.445 5.324 30 20 JKED Cc1cccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635794 SJVVTEBXYZGJGF-CJFMBICVSA-N 461.581 5.308 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)CC1 1832672412 BQKUCLPYIULIGV-BJKOFHAPSA-N 459.030 5.350 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1832693284 LAUKXFFQTWLUKV-HSZRJFAPSA-N 470.654 5.238 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccc(C(F)(F)F)c(F)c1Cl)C2 1841319683 UJYAASBJFLUJHK-UHFFFAOYSA-N 458.883 5.083 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(CO)c2)c(Cl)c1 10178868 OXZBJJSRMCRFPZ-UHFFFAOYSA-O 466.026 5.276 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 11089424 FZAOEANHLHGLTE-UHFFFAOYSA-O 468.986 5.766 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nc2sccc2c1=O 11209440 JGIXTFJMRLKNIY-NSHDSACASA-N 464.494 5.566 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cccc(Cl)c2C)cc1 11256880 IWEPTFIHFAKUJS-UHFFFAOYSA-O 454.959 5.457 30 20 JKED C=CCn1c(SCCC(=O)Nc2cc(C)on2)nc2scc(-c3ccc(C)cc3)c2c1=O 11371998 IIJFANJTSTUTKK-UHFFFAOYSA-N 466.588 5.037 30 20 JKED Cc1cc(C)c(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@H]2c2cccc(C#N)c2)c(Cl)c1 11549838 UVMOTBKZYKMZIK-DEOSSOPVSA-N 473.001 5.397 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 21683620 WZIISXYZMVWMPN-CYBMUJFWSA-N 481.380 5.608 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc(OC)cc1 23998306 PNLVIAMLKHQVHW-APWZRJJASA-N 454.621 5.046 30 20 JKED O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 25647216 RPHAWSIAOHOILW-UHFFFAOYSA-N 490.360 5.791 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)ccc1Cl 29357179 LWQGSENYKCBEKY-UHFFFAOYSA-N 466.010 5.205 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32288359 GMBCUPJDSVYDCV-XMMPIXPASA-N 494.016 5.281 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 113145370 CKTYZGHTXNBRPQ-QGZVFWFLSA-N 467.356 5.544 30 20 JKED Cc1ccccc1CN1CCC(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 302927624 BIXYPTUMMVZPLB-UHFFFAOYSA-N 455.627 5.553 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 480401707 GMWVUBKCPXWQDR-XMMPIXPASA-N 455.518 5.754 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)c2)cc1 482929224 GRVWLXDZBQGGHW-UHFFFAOYSA-N 455.392 5.463 30 20 JKED C=CCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1OC 487321766 NXPYRRWWYYVVPC-UHFFFAOYSA-N 473.476 5.450 30 20 JKED COC(=O)[C@@H](C)SCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 498123633 FFYZNLIZQKKNSJ-LOWQCSRCSA-N 470.616 5.533 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)o1 499684469 KKEDMNHTSZHKQS-UHFFFAOYSA-N 463.493 5.185 30 20 JKED C=CCN(C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)c1nc(C(=O)OCC)cs1 501939061 CDVGUUBOFSNRML-UHFFFAOYSA-N 474.542 5.178 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 502616792 GBZPWFPAYGVPHY-UHFFFAOYSA-N 490.373 5.053 30 20 JKED N#C[C@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 502753826 RKSAIOCBNLVGFH-CQSZACIVSA-N 474.414 5.783 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)cc1 508140922 BYGASQYWSGUIGN-UHFFFAOYSA-N 469.570 5.062 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)c2)cc1 509554973 IFTXNFXUMTWXOH-VWLOTQADSA-N 461.949 5.590 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 518127527 CXAXRHXTKLULQP-INIZCTEOSA-N 476.627 5.110 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1Br 518666891 MDSZQCHPZWRZGN-GFCCVEGCSA-N 472.330 5.913 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 518753941 AEQTYUPFVABFCD-UHFFFAOYSA-N 499.680 5.351 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2Br)no1 521423251 FSMWOWKOEKQCCX-UHFFFAOYSA-N 488.341 5.372 30 20 JKED Cc1ccc(N(CCC(=O)Nc2ccccc2S[C@H](C)CC#N)S(=O)(=O)c2ccccc2)cc1 521797683 SJOQZPHRBNZREI-OAQYLSRUSA-N 493.654 5.613 30 20 JKED C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 524385551 DSSZVFJJCGKKAB-OALUTQOASA-N 457.530 5.101 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)s1 603737406 GJYCPJUSDXSQNS-UHFFFAOYSA-N 484.625 5.593 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cs2)cc1OC 603814313 PQDRLGMDYFSLGH-UHFFFAOYSA-N 499.592 5.654 30 20 JKED CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 604205352 JIHFUEKNZDVBBB-CYBMUJFWSA-N 475.979 5.063 30 20 JKED COc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C(F)(F)F)c1 608819197 OWPAUFYFNSIZAR-UHFFFAOYSA-N 456.489 5.808 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCCCc2ccccc2)cc1Cl 609053482 RNLFLHCNXRVOHO-DEOSSOPVSA-N 459.977 5.463 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 609060723 LFONHENHFRXQIV-UHFFFAOYSA-N 496.588 5.672 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)cc2)c1 609427118 QALVIWXGRDCXPB-UHFFFAOYSA-N 484.562 5.489 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 612804543 QACYEVFXHISVTL-ZIAGYGMSSA-N 491.398 5.447 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1nc2ccccc2n1C(F)F 613401817 OIMGNCRFMSEDKL-INIZCTEOSA-N 477.858 6.021 30 20 JKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F 613401982 VXGRBEMUXWNPGL-IBGZPJMESA-N 453.452 5.774 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1)c1ccccc1 613403010 ANULUMXTLVVBTI-KDOFPFPSSA-N 467.472 6.340 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1C(F)(F)F 642157665 JQCBTMIREDUZKM-URLYPYJESA-N 491.329 5.670 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC2CCC2)c1 726413399 SVUNRPOKBOVHBS-NRFANRHFSA-N 485.531 5.447 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S/C2=N/[C@@H](C)c2cccs2)n1 726421810 SBKSGELLQUENKM-VBUNTTMDSA-N 482.606 5.181 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2CC(C)C)cn1 726886930 BTVMIVGFAMISMO-KRWDZBQOSA-N 494.589 5.021 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1OC 729428161 ANWVKRQAWZQWAK-INIZCTEOSA-N 461.465 5.149 30 20 JKED COc1cccc([C@H](C#N)NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1OC 729433466 FQGVOMZSIRGPSV-DEOSSOPVSA-N 487.987 5.674 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cc(F)ccc1F 729634219 JPIJACVLRMIEIA-JOCHJYFZSA-N 499.514 5.273 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)cc1 729634966 XZJHWODBSCFENR-QHCPKHFHSA-N 494.567 5.391 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc3ccccc3n2CC#N)c(C(F)(F)F)c1 729655587 UMJJXXFCHJGRFG-UHFFFAOYSA-N 458.440 5.783 30 20 JKED O=C1/C(=C/c2cnc(N3CCOCC3)s2)CCc2nc(-c3ccccc3Br)sc21 730435552 CKLPRMGRKJVDSS-ACCUITESSA-N 488.432 5.078 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCC1 730461311 BIXQFWAIQLGULF-GOSISDBHSA-N 473.385 5.378 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730584241 RAJGXQHEXFWEFK-UHFFFAOYSA-N 493.807 5.482 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O[C@H](C)C2 730689932 MXGHVMBHVHAACM-VFAJRCTISA-N 486.515 6.017 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCCc2c[nH]c3ccccc23)C1=O)NC1CC1 730717077 DQAPNJDIYNHMOS-QFIPXVFZSA-N 481.021 5.054 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)c3cccnc3)C2=O)cc1 730944607 DEJRPEWNBMMCGU-AOMKIAJQSA-N 480.540 5.390 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 731124346 VKZOWWPFSQNPEM-JOCHJYFZSA-N 494.611 5.446 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2nccs2)c1 731311641 DFPPEHUKERFGAN-NRFANRHFSA-N 494.642 5.175 30 20 JKED N#Cc1ccc(CNC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)cc1 746542242 HKSCOMCJTHPUAF-ZHZULCJRSA-N 479.561 5.128 30 20 JKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 746663154 BEADXXFJZHDEJV-ZVZGQBRVSA-N 483.421 5.031 30 20 JKED CC(C)COC[C@H](c1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 750915306 DLLCGJCYLCLOON-VWNXMTODSA-N 491.613 5.654 30 20 JKED Cc1sc2ncn(N=Cc3ccc(OCc4ccccc4F)cc3)c(=O)c2c1-c1ccccc1 767046129 JACNBSOWRPEMJA-UHFFFAOYSA-N 469.541 6.034 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 799213899 ACERWOGHTQNJQU-HNNXBMFYSA-N 477.842 5.141 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cccc4ccccc34)nc(O)c2C#N)cc1 824942426 ZTKNZKUODYIFIX-HNNXBMFYSA-N 456.527 5.002 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 837286255 UZJGLEFEBQJZIY-SIKLNZKXSA-N 458.587 5.420 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837359562 HMDQJXJJLMAQNZ-IVZQSRNASA-N 496.539 5.090 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)cc1 837547508 MLHOZEVIMOPWAV-DVECYGJZSA-N 488.613 5.592 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccccn1 838192114 LROYYGKKBIWTOW-GAJHUEQPSA-N 476.577 5.505 30 20 JKED CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915087585 VTWBTARPDOXTIP-VTIWPGKESA-N 469.629 5.638 30 20 JKED Cc1ccc(N(Cc2cccs2)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 915150558 HANRYKWQNCBQHS-UHFFFAOYSA-N 472.570 5.626 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915199610 HNOGRCVESHQNFD-MHZLTWQESA-N 484.559 6.456 30 20 JKED C=CCn1c(SCC[S@](=O)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 915652881 XGKVDXRKWPTEQW-LJAQVGFWSA-N 458.655 5.272 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2ccc(Cl)c(Cl)c2)cs1 915926910 SBPOTZLPRJRHLY-UHFFFAOYSA-N 498.848 6.108 30 20 JKED Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916056812 INWDAAYPLQUYRF-XOBIUNJKSA-N 472.911 5.066 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C2CC2)c1 916204618 BPWPNUMITZRGCP-GOSISDBHSA-N 498.819 5.778 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C[C@@H]2CCCO2)c1 916204753 BAKLIXFQPQQCSV-BJKOFHAPSA-N 473.598 5.288 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1Cl 916208948 BAGREXPFVMFXAO-QGZVFWFLSA-N 478.799 5.249 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccnc3cc(Cl)ccc23)cs1 916269477 QZEZJPSMAUZEBI-UHFFFAOYSA-N 456.358 6.129 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 916546109 FKRRAQLBVKEWJB-UHFFFAOYSA-N 482.968 5.833 30 20 JKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916722488 NKNCCDQQLBDVAQ-KQMYFLNBSA-N 477.030 5.158 30 20 JKED Cc1cc(/C=C\C(=O)[C@@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)n1C1CCCCC1 916880883 RBCQEMQMSJRYTH-KCNXZKISSA-N 455.566 5.011 30 20 JKED Cc1ccc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(Br)c1 916888358 WIBDWCONMHEQTH-UFNQUYMESA-N 465.319 5.433 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 916902644 HVAZRWUUFZBTIR-SFHVURJKSA-N 476.964 5.208 30 20 JKED CN(C(=O)CSCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CCCCC1 916975371 BZVHUNBRHNCPLB-SFHVURJKSA-N 462.040 5.164 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc(-c2ccc(Cl)cc2)cs1 916976407 NTGWEQQAKJFUEQ-GOSISDBHSA-N 466.925 5.852 30 20 JKED N#C[C@@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997126 RMAZXHYUHBVNQN-KRWDZBQOSA-N 491.490 7.476 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc2cc(C(F)(F)F)ccc2s1 917045163 WKKSMFZIRUWAOM-CQSZACIVSA-N 477.920 6.511 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2cnc(-c3ccccc3)nc2)C(=O)c2ccccc2)c(Cl)c1 917143697 OMCNPZHSPAVFBY-HAHDFKILSA-N 467.956 6.319 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCCCC3)c(F)c2)cs1 917560358 WQTGIOGSFMPYPD-XYOKQWHBSA-N 483.996 6.507 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 917664746 ONRDAKZFOSZJFE-IBGZPJMESA-N 479.524 5.011 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1F 917664973 XPIADJQXNKLBCG-GOSISDBHSA-N 497.564 5.137 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)c1 917678343 TUFIDDMJEOFNMN-OAQYLSRUSA-N 499.589 5.065 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1F 917698753 CNXVJKIZEBMUST-OFNKIYASSA-N 495.551 5.257 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)cc1 917704399 UAHWDYLIESPLMZ-QHCPKHFHSA-N 454.555 5.027 30 20 JKED Cc1sc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)nc1-c1ccc(OC(F)F)cc1 917870708 CBRCKYFPWOQQHZ-UHFFFAOYSA-N 455.895 5.046 30 20 JKED Cc1csc(SCc2ccccc2C(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)n1 918816936 CFSGEKZVGFFTOJ-UHFFFAOYSA-N 479.627 5.464 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 918983114 VACUAYDNWDRMHT-VSQXVHSFSA-N 477.323 5.082 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3c(C)noc3C)C2=O)cc1 920353502 LKSGHMCZXMEQHD-JOCHJYFZSA-N 462.575 5.069 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C 920852076 QTJMJMJCCLREPO-WOJBJXKFSA-N 475.568 5.086 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(Cc4ccc(F)cc4)n3)n2)cc1 920878222 WHVWRZZCVLCNRZ-HXUWFJFHSA-N 458.543 5.287 30 20 JKED CCOc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1785770372 NPSMBCWOMCWJAJ-UHFFFAOYSA-N 474.948 5.067 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3Br)cc2)CCC1 1785957586 KLRJCZYTBQXOSN-UHFFFAOYSA-N 477.399 5.255 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cn4ccc5c(F)cccc54)cc3)CCC2)cc1 1786107940 UUOIGFYHCYRNAK-UHFFFAOYSA-N 480.543 5.294 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccco3)CCC2)cc1 1786548291 REERELLHWBPQAO-WMZHIEFXSA-N 495.620 5.062 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1786678026 GCRWXVCYLHCFAV-UHFFFAOYSA-N 475.639 5.821 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)cnc1C 1787010641 IDWYXWXEHNJDOT-UHFFFAOYSA-N 461.682 5.497 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3c(Br)cccc3OC(F)(F)F)CCC2)cc1 1787648760 KTHXBMXNRUNOTP-UHFFFAOYSA-N 496.283 5.009 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cnc4ccoc4c3)cc2)CCC1 1788484099 ROUYQIBZVGJQFA-CMDGGOBGSA-N 471.538 5.076 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1 1788649785 YSKLMLYFDGPZMS-PKNBQFBNSA-N 470.550 5.681 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCC(F)(F)F)cc4Cl)cc3)CCC2)CC1 1790063536 HHMVXKVWFNXREU-UHFFFAOYSA-N 491.897 5.333 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc5ncccc45)CCC3)cc2)cc1 1790285704 PLSABPHDCKSCHP-UHFFFAOYSA-N 460.537 5.097 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC=CCC4)cc3)CCC2)c(C(F)(F)F)n1 1790467451 ICHDOAVBTYKTBR-INIZCTEOSA-N 468.479 5.076 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccco5)no4)CCC3)cc2)c(Cl)c1 1790766781 CCDBAOKADJGDDL-UHFFFAOYSA-N 486.915 5.521 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3)N(C)C)cc2)CCC1 1791125442 CAVHDKADUYPBEP-RUZDIDTESA-N 484.040 5.060 30 20 JKED C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1)Oc1ccccc1 1791145859 MPUIBKICHWAQIM-NRFANRHFSA-N 467.569 5.358 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(Br)cnc34)CCC2)cc1 1792266956 CPINQKVNCYRHTG-UHFFFAOYSA-N 476.374 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(Cl)cc3)no1)C2 1798331396 LRSFZDGPQSZQHO-PLACYPQZSA-N 453.970 5.015 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 1798420603 VVHOYPLEDATLRI-HTUFRPJOSA-N 471.117 5.133 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)C2)c1ccccc1 1798553651 PVQGWKATABFBLU-SPGPFUFCSA-N 493.047 5.334 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803092601 XFOZTSSGBXUYQF-RDGATRHJSA-N 478.036 5.241 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1803562084 TXIAVJAPNIBWEX-FREGXXQWSA-N 497.639 5.359 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1804176782 YRCSUZIZMNEDOP-WXVAWEFUSA-N 487.625 5.113 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)C4(c5cccc(Cl)c5)CCCC4)CC3)C2)C1 1804788416 MZIMOZJCYZEYLI-UHFFFAOYSA-N 455.042 5.349 30 20 JKED Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)C2)cc1Cl 1805083547 UHHQFMYIBBMPMD-HXUWFJFHSA-N 464.009 5.434 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC4(CCCN(C(=O)C#Cc5ccc(Cl)cc5)C4)CC3)cc2c1 1805333529 XMRAAJJLHAZIBS-UHFFFAOYSA-N 474.004 5.026 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(N4CCCC4)c(F)c3)CC2)C1 1805456410 UXDWYAJIVWQEHT-UHFFFAOYSA-N 467.629 5.039 30 20 JKED Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)C2)o1 1806251875 ZEPRBCVZUJFZDL-UHFFFAOYSA-N 466.581 5.146 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1806677126 UBFJHLPDFOGYPJ-HSZRJFAPSA-N 463.087 5.230 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C1)c1ccccc1 1809155410 QNCRZUQBFXZUIW-QDPGVEIFSA-N 471.645 5.162 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1810447320 LNVHKTUETZYHSF-DPNGWXEHSA-N 493.651 5.478 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810454065 VULNURFECGETHA-RRPNLBNLSA-N 482.628 5.456 30 20 JKED CC(C)=CCCC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811872292 CIVNQAAUBSTKKW-HYBUGGRVSA-N 484.522 5.038 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1)C(F)(F)F 1812681410 WCRPXHWWBGNKQS-QRWLVFNGSA-N 493.938 5.388 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@@H]1c1cccnc1 1813228986 UYBWITGGHHRJMI-QDPGVEIFSA-N 494.595 5.336 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2OC)[C@H]1c1cccnc1 1813912675 MSVIRNMWSRGISB-SIKLNZKXSA-N 470.013 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(OC)c2Cl)n[nH]1 1814611788 VUQILWHBVWFAIJ-APWZRJJASA-N 487.000 5.155 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1814829237 BLXIKHVXFJKMNO-OAQYLSRUSA-N 466.969 5.884 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C)oc3C(F)(F)F)n[nH]2)c1 1816470128 PWYNEHFPFSVPKU-LJQANCHMSA-N 485.466 5.130 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)CC1 1818117529 WNAGSOBUUROSRF-DKDOCFCCSA-N 482.650 5.365 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)[nH]c12 1819022087 OSNMWOAXFFXZKX-XMMPIXPASA-N 480.572 5.010 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(F)CCCCC2)[nH]n1 1819385060 IBSDWCSPKWZRIS-HXUWFJFHSA-N 460.670 5.125 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3sccc3Cl)n[nH]2)c1 1819958972 LEJJERXXXBIOJV-KUHUBIRLSA-N 467.982 5.371 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820149574 VCIFGLJCJHWLPR-HSZRJFAPSA-N 499.640 5.555 30 20 JKED CCOc1ccccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1820454895 SSDKOYZOBXJIFU-MBSDFSHPSA-N 471.561 5.055 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Br)c(Cl)c3)n[nH]2)C1 1821072176 NEOKILWRVDTCQM-SFHVURJKSA-N 477.790 5.098 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(Cl)ccc(Cl)c3O)[nH]n2)cc1 1821180822 DTBYQBKMYSEZHR-IBGZPJMESA-N 498.370 5.108 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)ccc2[nH]1 1821586975 ZHNHJRPOEZFRDZ-SSOJOUAXSA-N 480.572 5.446 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1)C(F)(F)F 1821994285 DMQAUGFLLXLZSS-HNNXBMFYSA-N 494.823 5.506 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1822584354 LCDDOTFBRKMSHL-FQEVSTJZSA-N 451.958 5.044 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)cc1 1823685251 OUSBWQPOGOTXMV-SANMLTNESA-N 486.641 5.034 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1 1823810448 TUPUQDWJGONHFH-VWLOTQADSA-N 475.633 5.233 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1823929013 DFVVFWJQLMVXQN-QFIPXVFZSA-N 489.056 5.359 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1824320890 FETOLSOQTMOGCJ-AREMUKBSSA-N 496.768 5.299 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1824509569 CNYBBDJHYGLCQZ-KNQAVFIVSA-N 454.636 5.034 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)CC2 1826426253 AFWJSCUDSFRGBT-SFHVURJKSA-N 486.597 5.304 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826672207 GZRYUMDCCSZQBU-SFHVURJKSA-N 482.440 5.420 30 20 JKED CC(C)n1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)c(C(F)(F)F)c1 1827780323 ZVCYQISZYNIGHX-NRFANRHFSA-N 478.559 5.015 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)cc1 1828515910 ZQSSPVVTYYBYCE-SANMLTNESA-N 490.554 5.059 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828657167 YCDSCBVERHXFHK-QHCPKHFHSA-N 482.422 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1828826634 JKZUNIYPOVXHOK-FYYLOGMGSA-N 454.014 5.213 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(OC)c23)CC1 1828831484 VFEUECGSDZABQH-QPPBQGQZSA-N 463.622 5.178 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829010974 KOLBTOACTXBGAR-RQUPSUDSSA-N 473.617 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1829067448 KXUWWDIAPAJCHN-OAQYLSRUSA-N 488.097 6.175 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829597950 LDXZUCVYDWAUSD-HSZRJFAPSA-N 461.631 5.706 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3F)CC2)cc(C(F)(F)F)c1 1829880014 YPDPFWHLKHTNFH-HSZRJFAPSA-N 487.497 5.263 30 20 JKED CC(C)Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3ccccc3C#N)CC2)cc1 1830694629 WSGITJXOMMHGLJ-HHHXNRCGSA-N 487.644 5.069 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2OC)CC1 1830715454 YCHXELLKNIYUGL-HRAATJIYSA-N 495.433 5.042 30 20 JKED Cc1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830754837 KRHIMIBQXRLMNU-OAQYLSRUSA-N 489.563 5.494 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c(F)c1 1830772849 GENBQMWJNOPRKU-AREMUKBSSA-N 495.570 5.171 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831019211 MRSLQYYQWPCQMW-VWLOTQADSA-N 466.025 5.315 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831140504 STFWJBBANFCGMQ-HXUWFJFHSA-N 463.713 5.028 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831376168 JYMJEUGIPPTZNO-NLFFAJNJSA-N 458.602 6.032 30 20 JKED Cc1c(F)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832630035 XODWUYURCCYDKY-SIBVEZHUSA-N 461.581 5.308 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1F 1832634008 QLYJBRSHQQCQMP-FQRUVTKNSA-N 461.581 5.308 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1832651202 XTPVCERQJJEOQM-FQLXRVMXSA-N 499.655 5.076 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1832984477 ZKXUXSVOXHKYIJ-OBZNHSRCSA-N 498.614 5.255 30 20 JKED Cc1ccc2cc(C(=O)N3CCC(OC4CCN(C(=O)c5cccc(C#N)c5)CC4)CC3)sc2c1 1838580003 GCZLNHZVQQPDSG-UHFFFAOYSA-N 487.625 5.007 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccccc2OC)[n+]2ccc(Cc3ccccc3)cc2)cc1 10118371 VFKZHPFQOVNMFH-UHFFFAOYSA-O 483.613 5.633 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C)cc2C)cc1 10168714 WQCOBEDUUMRDTK-UHFFFAOYSA-O 462.683 6.501 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccccc2CC)c1C 10173353 OORNJWKTMXYTIX-UHFFFAOYSA-O 464.611 5.017 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1C 11872011 GLLZBYQKWJHSKW-UHFFFAOYSA-N 467.904 5.057 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)cc1F 14872323 PNQILNSVDQOBBU-UHFFFAOYSA-O 453.990 6.005 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2SCc2cccs2)CC1 21710277 URNANJFOJGEMLP-QFIPXVFZSA-N 451.592 5.202 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)cc1 22003754 FWRKSHBIDXUUKV-UHFFFAOYSA-N 463.607 5.239 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4nc(-c5ccc(C#N)cc5)cs4)CC3)c2c1C 22400041 AQOUSMUXDYJXME-UHFFFAOYSA-N 474.615 5.158 30 20 JKED Cc1cc(C)c(Nc2nnc(SCc3nc4ccccc4c(=O)n3CC#N)s2)c(Cl)c1 25808647 OKFJPHIXLAPPKV-UHFFFAOYSA-N 468.995 5.078 30 20 JKED CC(C)CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc2c1=O 26013417 SIPPZVYXIDEJQR-HXUWFJFHSA-N 488.638 5.535 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)nnc1-c1ccco1 29547605 AMEDOWKUPHVMNV-LJQANCHMSA-N 493.976 5.441 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@H](C#N)Cc2ccc(C)cc2)cc1Cl 213634182 GFVSOTPWHOKYRH-ALFKQNEGSA-N 494.041 6.330 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccccc1F 216282939 CZWVMVZLWIUCGP-UHFFFAOYSA-N 452.555 5.230 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 303181908 YLSAAYZUYSLTBF-NRFANRHFSA-N 470.554 6.338 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)s1 498002175 LHMYAYWOTSYKTH-UHFFFAOYSA-N 488.613 5.128 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 498287304 VBNWMEQSJZBKIT-UHFFFAOYSA-N 454.935 5.462 30 20 JKED Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 501817187 AQOAYGJPUJHHQX-SFHVURJKSA-N 454.555 5.400 30 20 JKED C=CCN(CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1cc(Br)ccc1F 502176998 PKOMZFDDCWDNMN-UHFFFAOYSA-N 460.391 5.124 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCCc3coc(-c4ccc(F)cc4)n3)cc2Cl)c1 503376361 UZGRBSJPWUKRSQ-UHFFFAOYSA-N 490.922 5.949 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)c(C)c1[N+](=O)[O-] 507904480 JPICNZKAEDKHDD-UHFFFAOYSA-N 467.485 5.373 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1Cl 510005492 NHKDQKXPSITJJK-DEOSSOPVSA-N 472.976 5.878 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 511420103 IBOOWXQFDWLWJC-GDLZYMKVSA-N 473.576 6.511 30 20 JKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)o1 511423846 ZRWZNRGIFYNKIK-DFBJGRDBSA-N 455.558 6.245 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 511439055 OCQZSAPHUHWTBA-UHFFFAOYSA-N 482.584 5.066 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513156515 UPBFNJBMRWDMID-LJQANCHMSA-N 469.488 5.630 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1NC(=O)c1ccccc1 513655893 VUJLWYIOWJABQV-IBGZPJMESA-N 482.565 5.327 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2nc3sc4c(c3c(=O)n2C2CCCC2)CCCC4)cc1 514301505 OLCSKSHMDAMUNO-IBGZPJMESA-N 495.670 5.050 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nc2sccc2c1=O 514955601 VTLIRZUBWWAUER-QGZVFWFLSA-N 461.612 5.354 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCc1cscn1 515547411 WUIGRFNUBUPJCE-HNNXBMFYSA-N 455.948 5.484 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 515649728 WNACCGAGWKGRQS-UHFFFAOYSA-N 493.611 6.270 30 20 JKED C=CCN(C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 518731165 UELWXLPJVJAHPA-QFIPXVFZSA-N 488.595 5.504 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 519485282 QIMFTFUIGICEHS-NRFANRHFSA-N 488.396 5.203 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 519943846 FJVSBBYYWXRKFN-QFIPXVFZSA-N 464.363 5.276 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 519988180 ICSOYWDXWQMYBS-LJQANCHMSA-N 492.601 5.264 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccccc4SC[C@H](C)C#N)nc(O)c23)C1 520826410 SUXSZFIGKHPUFT-LSDHHAIUSA-N 466.632 5.345 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 520943943 PDAAHYMKIAHHLP-UZLBHIALSA-N 475.536 5.792 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 521738802 MEYFKVNLRACWDD-DPHQEEGCSA-N 481.621 5.290 30 20 JKED C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cc(OC)c(OC)c(OC)c2)CCC3)CC1 521757517 PXFRBZMRXYDVFD-PGMHBOJBSA-N 484.596 5.930 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 524565559 YTGWLVKLUSALNI-UWJYYQICSA-N 492.567 5.152 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 524565714 FJKLAZAGVARAHM-OALUTQOASA-N 490.604 6.141 30 20 JKED C=CCN(C(=O)Cc1ccc(F)c(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 555999051 QUMQPKFAMPSTLP-UHFFFAOYSA-N 476.327 5.382 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1Cl 603758849 LCECPBVOXSBVLH-QHCPKHFHSA-N 493.941 5.765 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)o1 603872990 ODIQETKRLJWKGK-UHFFFAOYSA-N 476.330 5.173 30 20 JKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1NC(=O)c1ccccc1F 603992244 MBKSIVNBLBKLDW-UHFFFAOYSA-N 481.552 6.338 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 604450924 MUSYASFDVHRPJC-UHFFFAOYSA-N 471.448 5.556 30 20 JKED CCC(CC)(CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)cc1 608798601 TXNSQWZDGSSCCJ-UHFFFAOYSA-N 476.964 5.212 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 608817467 SEKVWKRWDGSLKH-JOCHJYFZSA-N 498.583 6.059 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 608952837 KIFGBLNJPYJQGJ-DEOSSOPVSA-N 464.013 5.112 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)NC3(c4cccc(Br)c4)CCOCC3)c2)cc1 609126833 HNUDQKDQXUBEJN-UHFFFAOYSA-N 477.358 5.549 30 20 JKED CC(C)OC(=O)C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1[N+](=O)[O-] 609209117 RODVADHJHFXAAA-QHCPKHFHSA-N 488.500 5.463 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1OCC(=O)N1CCCC1 609433879 PMWSCNQHJUDWMN-AREMUKBSSA-N 498.583 5.625 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1OCc1ccc(Br)s1 613292254 DOGFROBSYMUGBB-SFHVURJKSA-N 493.382 6.136 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 614381854 AFYKUNOBBMYSNQ-OAHLLOKOSA-N 466.925 5.478 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 619321968 LGQSEFADTZJQKS-VQFNDLOPSA-N 477.449 5.532 30 20 JKED O=C(Cc1csc(Cc2ccc(F)cc2)n1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620384400 MVDJOQHSZVCWJF-CHWSQXEVSA-N 468.438 5.441 30 20 JKED O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N(CC1CC1)c1cccc(C(F)(F)F)c1 622606958 PHRZFFZNPSGSMO-UHFFFAOYSA-N 450.354 5.436 30 20 JKED CC(C)CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406714 LYBZLOUBIBXQLW-JOCHJYFZSA-N 499.036 5.235 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)Cc1ccco1)c1cccs1 726418709 FCNSGWIXJHSYFW-VPPOCETKSA-N 485.606 5.501 30 20 JKED O=C1/C(=C\C2=Cc3ccccc3OC2)CC2(C/C1=C/C1=Cc3ccccc3OC1)C(=O)Nc1ccccc12 726743943 SVAMYACSGPENAQ-YXHOTNNGSA-N 499.566 6.044 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 727589152 LCAULTFUKNTVIV-RSXGOPAZSA-N 484.987 5.975 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 728028987 SKDSCLDONHFPAY-AREMUKBSSA-N 485.584 5.520 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(CCCCC#N)C2=O)cc1 728777159 JDLIWZRHJJRYFF-QFIPXVFZSA-N 499.036 5.701 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728778558 DCTUWFNPCNXFNA-QFIPXVFZSA-N 499.036 5.701 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(-c4nnc5n4CCCCCC5)cc3)CC2)c1 729551753 DUMXTZVRPNQIPH-UHFFFAOYSA-N 470.577 5.009 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)cc1F 730461784 HWKYQLSREVIZFA-HXUWFJFHSA-N 475.973 5.309 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C2CCC2)c1 730461841 SPASDGZWAORRGF-NRFANRHFSA-N 485.009 5.120 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2C2CCCC2)c1 730530489 SFHPIRCZCYEUAJ-HSZRJFAPSA-N 481.618 5.169 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 730688097 RQDHAKQDMJDBCR-SCLBCKFNSA-N 456.424 5.230 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)cc1C 730710950 VRUVFDZJHTUPFN-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730712086 DDPYAWKUZTXKJT-FQEVSTJZSA-N 486.956 5.244 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(Br)ccc2o1 731068734 IDDWGQWIGAKEPJ-CYBMUJFWSA-N 473.348 5.385 30 20 JKED Cc1ccc(CC(=O)Nc2cccc([C@@H](C)OC(=O)CCc3c(C)nc(O)c(C#N)c3C)c2)cc1 731302154 VMXJABKWNAAJNR-HXUWFJFHSA-N 471.557 5.002 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2OC(F)F)C1=O)Nc1cccc(O)c1 731308057 LPXVAKRDJBWTBK-NRFANRHFSA-N 497.523 5.154 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCOC(C)(C)C 731310275 DPKJUNQJMOVYMM-FQEVSTJZSA-N 490.025 5.129 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2)cc1Cl 731315230 BBIKZSSVKBMZAO-JOCHJYFZSA-N 490.972 5.078 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 746698086 UFRTVVBVZQXHOC-IBGZPJMESA-N 477.989 5.255 30 20 JKED CCOc1ccc(-n2c(-c3cccc(Cl)c3)nn(CN3CCC(C#N)CC3)c2=S)cc1 747079321 ZNJZBFXNKRXYRB-UHFFFAOYSA-N 453.999 5.315 30 20 JKED Cc1ccc(-c2ncc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)s2)c(C)c1 747111587 FSGBRABJDFPAKL-NRFANRHFSA-N 467.550 6.180 30 20 JKED C=CCN(C(=O)COC(=O)c1cnn(C)c1C1CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747256660 ASQGRZOHHLQONV-UHFFFAOYSA-N 491.400 5.104 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 749339075 YNBQVPNYTIGXSE-NRFANRHFSA-N 461.587 5.683 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)Cn3cccn3)c2C#N)C(C)(C)C1 792668414 CJCFVPBKRNUTIF-AATRIKPKSA-N 492.626 5.146 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(Cl)c(Cl)c1 799212582 JGTQGBDLSXKBNU-FQEVSTJZSA-N 490.412 5.376 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1Cl 799221769 ZPHWDQQLCMIJJK-LJQANCHMSA-N 460.386 5.204 30 20 JKED CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 812267559 ARUHFNYFKQTBDZ-UHFFFAOYSA-N 469.588 5.122 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@H](C)c3cccnc3)C2=O)c1 837301157 HDXRJILBBQEHCB-WZONZLPQSA-N 474.586 5.120 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(C2CCN(C3CC3)CC2)C1=O 837519937 CUXVJOWNNVDHMW-HSZRJFAPSA-N 497.064 5.236 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(COc3ccccc3)no2)c1 904307151 RVDMBVVAPHHWDU-UHFFFAOYSA-N 481.961 5.350 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 914538965 ZOBGYJOMEWYJIG-FNZWTVRRSA-N 494.620 5.634 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cc(C)sc2C)cc1 914694827 WGFXMDBGXSKFDI-QVKFZJNVSA-N 471.648 5.125 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2)cc1 914772501 AMIDCHPABRLARB-XMMPIXPASA-N 491.588 5.441 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915101706 KCNZLMNGUHCHCU-AZUAARDMSA-N 484.046 5.500 30 20 JKED N#C[C@@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccccc2n1C(F)F 915105009 YCCZPJAHHYKKGB-RBBKRZOGSA-N 488.494 5.145 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(OCc2ccccc2C#N)cc1 915511976 MPXIFQWOAPSISY-NRFANRHFSA-N 494.551 5.124 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166606 NBMWAIQOGIFECQ-IBGZPJMESA-N 483.412 5.889 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(C[C@H]3CCCO3)C2=O)c1 916207051 XDSPOSMHCIFNSI-XMSQKQJNSA-N 486.037 5.405 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2ccco2)cc1 916211978 IQEFUKJLWATPLC-HXUWFJFHSA-N 487.503 5.767 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1C 916216634 XXPRQQZRXUDPKH-NRFANRHFSA-N 490.025 5.044 30 20 JKED Cc1sc2ncn(N=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)c2c1-c1ccccc1 916283667 MOQVMHORBYZTPG-UHFFFAOYSA-N 490.928 6.137 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1 916326373 QBIANTOFXIRRPZ-UHFFFAOYSA-N 490.585 5.111 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888160 SGDHRKRAXVFIJW-ZBEGNZNMSA-N 485.375 5.592 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 916903023 MVEUWXYKFHKVPD-INIZCTEOSA-N 489.981 5.665 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 916905422 CCJKALNWVKROPQ-HSZRJFAPSA-N 492.417 5.943 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916929564 BDOGNAGSGKXFNZ-LJQANCHMSA-N 454.404 5.467 30 20 JKED C[C@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 917428594 CEVYAQFJFLWTKX-YFKPBYRVSA-N 455.330 5.397 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917658244 CHSSMHRZNQAQAB-SGNDLWITSA-N 490.673 5.199 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2cccc(C)n2)C1=O 917660364 CUJMEVBNPSVQQT-XMMPIXPASA-N 488.613 5.176 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C#N)cc2)c1 917667157 REDLARIJPORPIY-VWLOTQADSA-N 498.608 5.344 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OCC)cc1 917684972 PUYAGFHYYAZRBD-OAQYLSRUSA-N 490.025 5.044 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)c1 917688817 HSESUZOBUQPDEL-DEOSSOPVSA-N 487.629 5.125 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(N(C)C)cc3)SC2=Nc2ccccc2C#N)c1 917698861 JKORJQFXMNTFCX-VWLOTQADSA-N 497.624 5.093 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1 917701387 SHVYKYQQAZSMJY-PKTZIBPZSA-N 477.561 5.118 30 20 JKED C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 919799955 MJYPINBHZPPUSF-HOYKHHGWSA-N 490.401 5.181 30 20 JKED CC(C)CN(CCC#N)Cn1nc(-c2cccnc2)n(-c2ccc(Br)cc2)c1=S 919944938 SNRWXNHSQVUFSV-UHFFFAOYSA-N 471.428 5.057 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H]2CCc3cc(C)ccc32)C1=O 920169920 JICIBFXGMXJMDK-RTBURBONSA-N 475.586 5.065 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CCCO[C@H]2c2ccccc2)C1=O)NC1CC1 920354756 HTWYLLMTJKXIQX-OEOAZWSVSA-N 498.048 5.108 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)COc3c(Cl)cc(Cl)cc3Cl)cc2)CCC1 1786005375 IFYCBHYZVMIRSE-UHFFFAOYSA-N 480.779 5.463 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnccn4)c3)CCC2)cc1 1786102961 IJKRUHLQXWIXAC-UHFFFAOYSA-N 466.585 5.660 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CCC2)cc1 1786361327 ZDRFFIVLOZYAKX-HXUWFJFHSA-N 492.579 5.016 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786574330 MAQZRSGTVWZWBT-DEOSSOPVSA-N 491.579 5.122 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)no1 1787547734 LSLWOZHVSJPKHI-SFHVURJKSA-N 456.546 5.487 30 20 JKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1 1787889299 TZWVWSCHYQKTHR-LJQANCHMSA-N 490.604 5.324 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)C4(C(F)(F)F)CCC4)cc3)CCC2)ccc1F 1787936899 DRGPNPWSQGSFRP-UHFFFAOYSA-N 473.470 5.107 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(cnn4C)c3OCC)cc2)CCC1 1788392102 WQOHRQKJIPTLNZ-UHFFFAOYSA-N 489.620 5.107 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(Cl)ccc4n3)cc2)CCC1 1788936122 JZIAYXOMUFQCAF-NRFANRHFSA-N 462.981 5.504 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5ncccc45)cc3)CCC2)c(Cl)c1 1788952886 FZVTZBSSQMLWIE-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(OC4CCOCC4)n3)cc2)CCC1 1789962256 CXEWBTYUCKJRPP-XMMPIXPASA-N 489.616 5.156 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5[nH]ccc5n4)CCC3)cc2)c1Cl 1790084015 UDNXZPNSLCBQDZ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791252154 JGUKQLYBHDDXBA-UDTLNKQYSA-N 483.653 5.416 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CCC2)cc1)C(F)(F)F 1791304536 DUKGUENTVFVODE-HNAYVOBHSA-N 497.558 5.178 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccccc4F)cc3)CCC2)cc1 1791982852 RTBSYNFCOFSLML-UHFFFAOYSA-N 455.533 5.272 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1 1792169678 JEPGJRGXKGGDLV-OAHLLOKOSA-N 464.459 5.183 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(NC(C)=O)ccc4Cl)cc3)CCC2)C1 1792193375 UCBOKCPNYZZQDH-UHFFFAOYSA-N 451.954 5.012 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ccccc5)nc4)CCC3)cc2)CCC1 1792231040 COZURRIGLIQJLC-UHFFFAOYSA-N 450.542 5.190 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3Cl)CCC2)cc1 1792236692 PPUGAALOWNZMIB-UHFFFAOYSA-N 491.950 5.106 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1796964924 KOGQKXNDXRJWPL-JLYJBUFASA-N 495.000 5.352 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1797878059 ZAVFEGBAUYAHLK-GDHSZCHUSA-N 456.747 5.282 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1)C1CCC(C(F)(F)F)CC1 1800403543 CUIWQSZPLMSENT-JWEAOGIISA-N 494.451 5.465 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)cc1Cl)c1ccc(F)cc1 1800691002 FFPOJDSDRJLYGC-XARGGIHNSA-N 467.972 5.042 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)cccc1C(F)(F)F 1800691591 XLYJSMCMQASHAU-BJWYYQGGSA-N 475.898 5.105 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2CCCC4)C3)cc(C(F)(F)F)c1 1800744503 YDIYAUHVUKPUGM-KOUNCHBCSA-N 481.518 5.021 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[C@@H]1c1cccnc1 1802354871 KTCVIKWDLSLVOT-DHLKQENFSA-N 472.589 5.049 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1802498992 DPGLKHKISMEHBD-VGSWGCGISA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1803115429 DZYZVTITLAEKTE-SHQCIBLASA-N 463.597 5.018 30 20 JKED CC(C)[C@H](C(=O)NC[C@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1803217661 JACVAIOBQPAFQO-GGCFSWKVSA-N 494.639 5.032 30 20 JKED Cc1cc(C(=O)N2CCC3(CCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)CC2)c(C(F)(F)F)o1 1805333073 SBFAQVAPBYWLTD-UHFFFAOYSA-N 492.925 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)[C@@H]1c1cccnc1 1810497904 JCGXRRPXLNBHSR-NTKDMRAZSA-N 462.569 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1811230987 NULKUFKZAKHPCY-ZCYQVOJMSA-N 477.649 5.571 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(CC(C)C)cc3)[C@@H]2c2cccnc2)c1 1811629967 SDNFVDGQPNVURJ-XCZPVHLTSA-N 480.612 5.094 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)[C@H]2c2cccnc2)c1 1811936918 FIASENWDGRLRFV-FNZWTVRRSA-N 497.986 5.030 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812671775 LXJNXMGSAOQFTM-NTKDMRAZSA-N 489.522 5.512 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1812809298 NLGUQHVRHPQHDU-NVQXNPDNSA-N 495.067 5.923 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1812933497 LUDHTXWCARXQKK-NEKDWFFYSA-N 488.607 5.109 30 20 JKED CCCOc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813868611 OUEGVDDBPCIMOS-GGPAXRDESA-N 496.611 5.131 30 20 JKED CC(C)c1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813869552 JTURXROLDPJYJF-UIOOVKKBSA-N 494.639 5.394 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)c(F)c(OC)c2F)[nH]n1 1814443965 LLCRJTOECDLTGS-QGZVFWFLSA-N 490.551 5.003 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814740853 SBHXIEVLXNCPQC-SXKZTFQGSA-N 499.640 5.521 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1814828920 XZCYNMJKJZPQPY-NRFANRHFSA-N 496.409 5.118 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2ccc(Cl)c(F)c2)n[nH]1 1815149689 JPOGQNZTPUBMCP-HXUWFJFHSA-N 476.980 5.266 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)[nH]n1 1815216202 QQRFQECRFXDOSL-SIBVEZHUSA-N 499.615 5.435 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[nH]n1 1815653874 KCROIRVAGRQWMV-XZOYJPPVSA-N 454.640 5.151 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1)c1ccc(O)cc1 1816695280 VXYCJOGERAAPJN-WIOPSUGQSA-N 476.621 5.275 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817742489 QUKGNDNALQOZRY-XXBNENTESA-N 457.578 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)Sc2ccccc2)[nH]n1 1819302432 DVSQIIZPEMPHBV-SYYKKAFVSA-N 452.624 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)[nH]n1 1819302718 KPRCMQJCHJDCHF-BKVXWFHVSA-N 454.521 5.162 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2cccc3ccccc23)[nH]n1 1819302728 KSFTVINJJXVBJC-XUZZJYLKSA-N 472.589 5.402 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1ccccc1 1820224075 ZPNLOMRZERHVFY-IERDGZPVSA-N 461.953 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820231936 ZGRNOBNQJDTOJA-UWJYYQICSA-N 466.969 5.884 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820316576 LPZCWHSCUFCGEM-HSZRJFAPSA-N 473.552 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2n[nH]c3cc(Cl)ccc23)n[nH]1 1820697263 QCMBEAAQWPSQTM-OAQYLSRUSA-N 483.016 5.167 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)Sc3ccccc3)[nH]n2)c1 1821321277 DQRZGGCPLQLEIC-WZONZLPQSA-N 473.602 5.077 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cnccc34)[nH]n2)c1 1823215285 PRKXSUDCEXDOJQ-IQGLISFBSA-N 478.556 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3OC(F)F)[nH]n2)c1 1823216398 TWYWWUDSXINTQL-KKSFZXQISA-N 493.514 5.258 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccc(C)cc2)CC1 1823945275 PTUIROIXOBBROO-AREMUKBSSA-N 452.639 5.152 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828514686 JGSUGGKNVQKVBI-XMMPIXPASA-N 453.602 5.533 30 20 JKED Cc1nc2ccncc2cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1828537061 FFYUVHRVANPNJL-PIIWDFAUSA-N 495.627 5.112 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1828822098 WPXLHRZNSHWCCZ-IXCJQBJRSA-N 489.660 5.692 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1828823854 HGUAHVMCRQOQQA-VSGBNLITSA-N 494.676 5.436 30 20 JKED COc1ccccc1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685312 BBHUVDLBBZBXRN-XMMPIXPASA-N 494.035 5.086 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829908348 XEEKEJJONLIZEN-CVDCTZTESA-N 452.620 5.031 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1829955975 ZOWJXZKSTDOAOE-MUUNZHRXSA-N 478.596 5.167 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2F)CC1)c1ccc(O)cc1 1830086620 ZZDCZCQIUGAEBZ-ATIYNZHBSA-N 494.582 5.101 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830408195 IPSAUXCJAVUUNK-ISKFKSNPSA-N 476.702 5.501 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c1 1830574503 FSVDLRQCZKFKNH-HOYKHHGWSA-N 481.999 5.653 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)cc1 1830627108 LZWVAPYNNUYTBR-NLJOTIRTSA-N 491.582 5.068 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1 1830639802 GAPUTHWANUIBOE-DNQXCXABSA-N 497.680 5.006 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccsc3)CC2)c(Cl)c1 1830721735 VIQNAGAOPRLVGI-HSZRJFAPSA-N 470.038 5.139 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccoc3)CC2)cc(C(F)(F)F)c1 1830755130 QOTRXDUJMLWPID-OIUIXCLQSA-N 485.506 5.117 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)cc3)CC2)cc(C(F)(F)F)c1 1830755703 LHNGXXSETOHMAF-QHCPKHFHSA-N 487.497 5.263 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4nc(C)sc34)CC2)c1 1830769203 JWIDDIBSIXAPMM-RUZDIDTESA-N 486.641 5.332 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)CC2)c1 1830888150 MJVKIZDTYKTKIP-HOYKHHGWSA-N 474.630 5.404 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)cc2s1 1830890386 ZVIIUIRVROTQRR-QHCPKHFHSA-N 478.593 5.096 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 1831367326 HUEIITWDNQWBGW-KKSFZXQISA-N 465.407 5.034 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1831374318 NPGISMGVJPGISS-XXBNENTESA-N 461.046 5.573 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1832028610 YNZCERJDTMAHHF-SANMLTNESA-N 493.598 5.454 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1832628590 XKHUDANCYWOPMR-KDYSTLNUSA-N 496.611 5.516 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CC1 1835820212 XRGQJKNPRJKZAJ-UHFFFAOYSA-N 498.470 5.310 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1838691593 PCLVKFMKSVWDFR-INIZCTEOSA-N 467.437 5.126 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(CC)cc2)cc1 10172901 HKAZQWMBGXOFKK-UHFFFAOYSA-O 455.550 5.751 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(Cc2ccccc2)cc1 10174240 CTKSOBQHPGZPEN-UHFFFAOYSA-O 496.612 6.086 30 20 JKED CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 10355318 YIUGQUJKGBBLMB-XMMPIXPASA-N 483.553 5.123 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)C2CCCCC2)nnc1-c1ccc(Br)cc1 10610432 RUJYLRPFMHTCEZ-HNNXBMFYSA-N 463.445 5.165 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 10830394 BXSYGPCEPNFXBF-UHFFFAOYSA-O 452.770 5.691 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Cl)c2)cc1 10830902 ISVWDGGOAQCILE-UHFFFAOYSA-O 473.996 6.860 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)n(C2CCCC2)c1C 10995696 NHOWUMQMNGXBEV-UHFFFAOYSA-N 480.565 5.234 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SC[C@@H](C#N)CCC#N)cc1Cl 15240018 DIYATGGWJKIDCR-XWAFYUISSA-N 456.980 5.331 30 20 JKED CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3cc(Cl)ccc3C#N)[nH]c(=O)c12 17188425 HTYCUAIZBSCELC-NSHDSACASA-N 461.012 5.138 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)nnc1-c1ccccc1OC 21179106 PTWJUOCSVJPMJR-CABCVRRESA-N 493.658 5.416 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2OC)nc2scc(-c3ccccc3)c2c1=O 21253545 GIZZUNAMCNODSV-KRWDZBQOSA-N 491.638 5.289 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)c1 22728376 FTOOMYPMXCEECI-UHFFFAOYSA-O 455.550 5.609 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1cc(C)ccc1C 22729626 FLRFKDLOBJQLPD-UHFFFAOYSA-O 468.440 5.967 30 20 JKED O=C(Nc1cccc(Cl)c1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 22963322 YSMRJNPRKZLQLQ-UHFFFAOYSA-N 451.729 5.955 30 20 JKED C=CCN(C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1 22991123 UELYLNLGOGYOGO-UHFFFAOYSA-N 451.548 5.818 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2CC)nc2sc3c(c2c1=O)CCCC3 23404713 GUEJZYQWAHGEKF-OAHLLOKOSA-N 453.633 5.205 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 23603866 NOOHHOVMCYMNJO-UHFFFAOYSA-O 470.618 6.325 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C#N)Cc2ccc(C)cc2)n1CCc1ccccc1 24699447 JILSNBQBXUBTMY-HSZRJFAPSA-N 454.599 5.732 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 25277149 PKCXVKGNPKTVAM-CHWSQXEVSA-N 468.438 5.821 30 20 JKED Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(C(C)(C)C#N)cc3)nc2n1 25841626 JZXSARMWZLUOQW-UHFFFAOYSA-N 456.575 5.087 30 20 JKED C=CCn1c(SCc2nc(-c3ccccn3)no2)nc2sc(-c3ccccc3)cc2c1=O 31841991 LLEJEHJAFYGTMN-UHFFFAOYSA-N 459.556 5.048 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccccc1 32316031 JDNQOSAFJRLFSS-IBGZPJMESA-N 460.525 5.905 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2ccc(C(C)(C)C)cc2)c1 71793492 IOIPFLRAOUQXRT-UHFFFAOYSA-O 486.488 7.246 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 195707569 XZIABPKWYYWDEQ-URGPHPNLSA-N 486.597 5.071 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc1 303182118 XLJVEJNHKRKRFV-UHFFFAOYSA-N 464.550 5.750 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481660957 USPVVGXRUJZYMF-VWLOTQADSA-N 459.521 6.044 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 486495036 YYEVAHDNZDGARC-UHFFFAOYSA-N 450.395 5.077 30 20 JKED C=CCc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc(OC)c1OC 497323080 QHERYVFOKCIAEK-GGXMVOPNSA-N 498.623 5.229 30 20 JKED CCCc1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1Cl 501309144 JGAHZSBMDDLMOI-CYBMUJFWSA-N 454.868 5.108 30 20 JKED Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 502688917 COCAQSRMVSNNJM-UHFFFAOYSA-N 458.468 5.221 30 20 JKED N#Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)cc1 503570743 DFBKHIPCHWWVFV-UHFFFAOYSA-N 466.353 5.483 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1NC(=O)c1ccc(Br)cc1 510632314 ZFRWPUSPVDMVNF-SFHVURJKSA-N 474.314 5.641 30 20 JKED C=CCn1c(SCC(=O)NC[C@@H](OC)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 516537487 DGOBFCQDWYUBRD-LJQANCHMSA-N 477.417 5.034 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1nc2ccccc2s1 517307446 WPOQRHURGWPORD-SFHVURJKSA-N 476.355 5.801 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1Cl 517942246 DLZWWZALYHZHDY-NOZRDPDXSA-N 475.951 5.731 30 20 JKED C[C@H](Nc1ccccc1OC[C@H]1CCCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2 518014280 XKCQATQYEAOQDU-ZWKOTPCHSA-N 453.608 5.276 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1C 519942761 OIIWKMQULDJDIL-UHFFFAOYSA-N 455.562 5.005 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3I)cc2)cc1 519991766 JUOATUJHTAZWQN-UHFFFAOYSA-N 458.230 5.347 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1)c1ccccc1 520603452 JAIQEFRJABLEBB-HHHXNRCGSA-N 482.584 5.657 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 520961134 BMBLNQVZSRLIRA-UHFFFAOYSA-N 455.352 5.195 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 524017059 XWHLJZYLXIWXOR-QGZVFWFLSA-N 462.415 5.512 30 20 JKED C=CCn1c(C)nnc1SC[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 579328941 FIVASHUPQDVGDO-HXUWFJFHSA-N 464.418 5.339 30 20 JKED O=C(NCc1ccc(OC(F)F)cc1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 594434756 XCHJBJRKVPXDCB-UHFFFAOYSA-N 496.770 5.409 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H]1c1ccc(OC)cc1 603623323 HPBGFYPQXGBGFK-LBNVMWSVSA-N 498.583 5.473 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)c2)c1 603640064 WLCQKQUCDNMPPJ-UHFFFAOYSA-N 453.376 5.255 30 20 JKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCC(=O)NC(C)C 603759094 UDCIBNGKHCCJLT-QFIPXVFZSA-N 491.975 5.160 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1Cl 604135434 MBSZYFFNRJYQCE-SANMLTNESA-N 493.994 5.882 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C(F)(F)F)c1 604534105 AOQQQTLHJMIZFX-CQSZACIVSA-N 493.555 5.687 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cccc(OCc2cccc(C#N)c2)c1 608789097 RRVRGIDAGZRKPL-JOCHJYFZSA-N 468.601 5.244 30 20 JKED CCC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 608815255 KZPMAUNMVYWPLI-OAQYLSRUSA-N 482.005 5.158 30 20 JKED C[C@H](NC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)c1ccc(C#N)cc1 609356030 AJFQMNOEQOQXIV-INIZCTEOSA-N 477.362 5.133 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 609404926 DTZDBMQUFLRUFS-CLOONOSVSA-N 455.583 5.051 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 609430774 AIASMFNFHMYUQZ-LLVKDONJSA-N 454.926 7.220 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 609433787 JDJMODBWGOTYSQ-AREMUKBSSA-N 457.530 5.572 30 20 JKED N#C[C@H](C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1nc2cc(Cl)ccc2s1 613407512 WIXHPKJYXURQNF-LJQANCHMSA-N 470.941 5.198 30 20 JKED O=C(Nc1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(O)c1)c1cc(F)cc(F)c1 619028973 YHPTURASTQRVQI-VXGBXAGGSA-N 496.354 5.126 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)N1CCC[C@H](C)C1)C(C)C 639394078 AFIKVFBGBIBYTG-UWJYYQICSA-N 463.047 5.072 30 20 JKED COc1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(OC)c1OC 642281606 UHUMVFRNRHDHKZ-GONJIIODSA-N 452.576 5.127 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 726378258 XIVMQZVKFFCOOX-UHFFFAOYSA-N 453.929 5.521 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 726395592 ACHSYQKZHQXGMQ-VGOFRKELSA-N 471.598 5.334 30 20 JKED CNC(=O)C[C@@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N([C@H](C)c2cc(C)sc2C)C1=O 726398269 BKIXAYSPFPSMIX-NQNIOVCLSA-N 483.581 5.081 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@@H](C)c2cccs2)cc1 726420946 KFOMWWUVYUDHTC-YSEZWBPPSA-N 493.654 5.485 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CC3CCC3)C2=O)cc1 726422022 UFDYHTOBWICXTR-OVRHBKGWSA-N 469.632 5.141 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CC(F)(F)F)C1=O 726422739 YNCGGKIWMJVIGP-LOLFEPJGSA-N 489.972 5.662 30 20 JKED Cc1cc(C)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1C 726572339 ZECHOSVQONEUHM-UHFFFAOYSA-O 491.080 7.045 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)NC)SC2=Nc2c(C(C)C)cccc2C(C)C)c1C 727251619 AFLFIANZJFHPNH-JOCHJYFZSA-N 483.682 5.034 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@@H](C)c2cccs2)c1C 727252016 NRJMJZFYFVVXHO-JCPNLMEESA-N 495.674 5.171 30 20 JKED FC(F)(F)c1ccc(-c2nc(CON=Cc3cccc(OCc4ccncc4)c3)cs2)cc1 727436063 ZWTSIAQREGAHQQ-UHFFFAOYSA-N 469.488 6.354 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 728185634 OBCCWOMYOLUEFE-UHFFFAOYSA-N 491.385 5.109 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc2ccccc12 728776952 VSHZXTUVPNAYFU-XMMPIXPASA-N 481.581 5.366 30 20 JKED N#CCCCCNC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1Cl 728851396 BEWCBNXYVKEBMW-UHFFFAOYSA-N 482.005 5.159 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1scnc1C 729146549 SOSZQPQQHZEHBP-NRFANRHFSA-N 489.626 5.046 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1scnc1C 729146817 YZBDJJYDPWRAFC-QFIPXVFZSA-N 492.670 5.791 30 20 JKED COCCOc1cccc(F)c1C(=O)/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1 729240107 AAKRKGAJQKMWMA-SEYXRHQNSA-N 453.897 5.653 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2S[C@@H](C)C(=O)N(C)CCC#N)cc1 729248121 TZESFNRWYMNNLJ-MHIQDMOBSA-N 474.630 5.356 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 729891150 DFMFPCBBBUOCCG-MSOLQXFVSA-N 469.994 6.172 30 20 JKED COc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c(F)c2)c(F)c1 730634088 MIQJTVBUTMSRPW-ZDUSSCGKSA-N 482.508 5.246 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)cc1F 730719104 XCMNBDGQDDYJIC-HSZRJFAPSA-N 488.544 5.436 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1 731076424 CUPDHZVEXMWIJW-CQSZACIVSA-N 487.553 5.207 30 20 JKED N#Cc1cc(F)ccc1COC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 731101448 ATOPQBXIIJAEMF-UHFFFAOYSA-N 474.748 5.245 30 20 JKED COc1ccc(-c2nc(SCc3cc(Br)ccc3OC(F)F)nc(O)c2C#N)cc1 745639678 PWOAYSFHQRUWFV-UHFFFAOYSA-N 494.317 5.386 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)c(C)c1 746597650 SBDRLOKRPMEXOH-OAHLLOKOSA-N 465.600 5.341 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 746697718 KMWBSVCFHHJTLK-IBGZPJMESA-N 477.989 5.255 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 747112107 PUMVJQPZUDTPBK-GOSISDBHSA-N 458.370 5.569 30 20 JKED Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)C[C@@H]4CCS(=O)(=O)C4)cc3)sc2c1 747474918 TVGCPSPNKHJMKN-KRWDZBQOSA-N 499.683 5.050 30 20 JKED N#Cc1cccc(NC(=O)COC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 748579377 QHFUEWZYLFGERH-XDHOZWIPSA-N 498.520 5.189 30 20 JKED Cc1nc(-c2ccccc2)sc1COC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 750887770 SJEWMPGCHWCUBA-UHFFFAOYSA-N 473.514 5.161 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)nnc1-c1ccc(F)cc1 801207876 IZEPANQFSYIEEC-UHFFFAOYSA-N 489.576 5.047 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837548465 PFBJITIWZGZEOX-CYFREDJKSA-N 488.613 5.592 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(F)cc1F 838593891 RPIQJBLRLKPTEX-NRFANRHFSA-N 491.560 5.133 30 20 JKED C=CCn1c(SCC(=O)Oc2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl 876693397 CXOUEKYCJBXBPY-UHFFFAOYSA-N 450.347 5.144 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914694950 ZIEFHXJUARSVPF-IERDGZPVSA-N 451.523 5.010 30 20 JKED CCOc1ccc(-c2nc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cs2)cc1 914995658 XXZLMJXXUCRRJE-UHFFFAOYSA-N 459.527 5.117 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102676 CPSOOTCHQWIKDX-GAPPKZSKSA-N 461.635 5.147 30 20 JKED CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1 916153207 FIQZNBBQGKPXIX-RIYZIHGNSA-N 465.933 5.661 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccco2)C1=O 916215718 JHRITOCMIVQSHW-HSZRJFAPSA-N 477.586 5.537 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ncnc3scc(-c4ccc(C)cc4)c23)cs1 916543557 STQSCYNILBZXKC-UHFFFAOYSA-N 484.610 6.254 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 916628003 HHPNUYYBACZJIT-CTNGQTDRSA-N 463.990 5.501 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl 916683973 ORUBYCYITCRGOG-QFIPXVFZSA-N 478.955 5.293 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916883485 LIIMZKCNZVGMPA-FQEVSTJZSA-N 489.507 5.210 30 20 JKED Cc1cc(C)c(C(=O)CCCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)c1 916886618 HVEGCBDGRNLXCZ-IBGZPJMESA-N 458.530 5.627 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916886691 JCULBQGFYMGOEO-AWEZNQCLSA-N 465.547 5.317 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(NC(=O)c2cccs2)c1 916887407 OAHZFNPMGRVHNU-KRWDZBQOSA-N 471.510 5.276 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1 916912210 IMVVIRVPWVXPKY-HXUWFJFHSA-N 462.962 5.572 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916919255 VHPMPXZLEGVMHE-NRFANRHFSA-N 484.968 6.163 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916945841 FXMNEYNIJZOTFL-IBGZPJMESA-N 474.369 5.406 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996361 LMVMXBFNHIOAIJ-DYVFJYSZSA-N 456.354 5.346 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044301 QNCKJTUNDQIAMI-OAHLLOKOSA-N 492.320 6.286 30 20 JKED CCn1c(NN=Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)nc2ccccc2c1=O 917579974 WUYYAKRPEQJXOG-UHFFFAOYSA-N 474.874 5.029 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Oc3ccccc3)cc2)c1 917612118 IAFXJXFWEMGDGN-UHFFFAOYSA-O 464.570 6.270 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccsc3)C2=O)c(OC)c1 917683519 YKVIZYFORDOYPY-QFIPXVFZSA-N 495.626 5.234 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)OCC(=O)Nc2ccccc2SCC#N)cc1 919399547 AEDDRCJPUGPTTN-UHFFFAOYSA-N 493.610 5.535 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(Br)cc2)o1 920105914 NAUSGAGTLILVQG-LJQANCHMSA-N 477.314 5.616 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1 920109941 WVYUUQWCAVYXAG-DNVCBOLYSA-N 453.951 5.273 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCSc2ncnc3sc(C)c(C)c23)cc1 920111110 JHMGKFVZGXINOD-LIRRHRJNSA-N 466.632 5.651 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)n1 920327192 ORLTUQJLWPYOSO-FXAWDEMLSA-N 485.359 5.079 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)c(F)c2)C1=O)Nc1ccccc1 920357173 WDHXWWNPFNHFSG-NRFANRHFSA-N 451.498 5.125 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 920868700 LIGOVGAEVXJMFX-AUUYWEPGSA-N 497.514 5.087 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]c3c(Cl)cccc3c2C)C1 1777940459 WCOKHWCZVDAKFW-JIPXPUAJSA-N 486.056 5.250 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(O)c4ccn(C)c34)CCC2)cc1 1785842937 KSTLQXBOHQUHTG-UHFFFAOYSA-N 460.578 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCc4ccccc4[C@@H]3O)cc2)CCC1 1786173545 IPNGVFWBIIHJHP-ARMFNRFLSA-N 458.602 5.185 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4OCCc5ccccc54)cc3)CCC2)c1 1786313544 DNEOMMSKAZXLRJ-HHHXNRCGSA-N 495.579 5.019 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cnccc4C(F)(F)F)cc3)CCC2)cc1 1786782766 ZUCYYNMFYZTJKV-UHFFFAOYSA-N 492.501 5.353 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)c(CC)nn3C)cc2)CCC1 1787124242 INOGSUSVWQNLOY-IBGZPJMESA-N 455.002 5.152 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(C)C)no4)CCC3)cc2)c(O)n1 1787173248 VPWVBQOCYFAIJM-UHFFFAOYSA-N 474.561 5.079 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)cc1 1787682208 OICBAXWKRMNGNG-UHFFFAOYSA-N 485.559 5.015 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccc(F)cc4)cc3)CCC2)c1Cl 1787727476 GEQLKDARKAJAGV-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5c(Cl)cncc5s4)cc3)CCC2)C1 1788312765 SNOSRWILRCVNFA-UHFFFAOYSA-N 451.979 5.664 30 20 JKED Cc1noc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc(C2(NC(=O)CC#N)CCC2)cc1 1788779573 IZFBEQZERNJJEO-UHFFFAOYSA-N 493.361 5.074 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(OC)c3)CCC2)cc1 1789492465 CITRRIOPCHXJDF-VWLOTQADSA-N 499.611 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3CCC4(CC3)OCCO4)CCC2)cc1 1789625472 GFXLGFBWWJQXRW-UHFFFAOYSA-N 454.611 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2)CCC1 1790350571 FUPUKKIKXLHXEO-QHCPKHFHSA-N 463.553 5.057 30 20 JKED COc1ccc([C@H](C)C(=O)NC2(c3ccc(NC(=O)Cc4ccc(OC)cc4C#N)cc3)CCC2)cc1 1790472120 NXVCQGBRGKVVRO-FQEVSTJZSA-N 497.595 5.056 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1790549837 QFGIXIXHNFTSLX-PJPYIVHJSA-N 495.664 5.272 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5ccc6scnc6c5)CCC4)cc3)c2c1 1790835946 HJNTXBLOVJWPGO-UHFFFAOYSA-N 492.564 5.106 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c(Cl)cccc34)cc2)CCC1 1790846384 OSHBHDNUHZVHGC-UHFFFAOYSA-N 458.896 5.175 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4Cc5ccccc5N4)cc3)CCC2)cc1C#N 1791135596 JTEQZYJJTWJSPU-SANMLTNESA-N 494.595 5.130 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791440409 SYUVWFQFJPCKDO-JOCHJYFZSA-N 495.664 5.536 30 20 JKED Cc1cnn([C@H](C)C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)c1 1791845501 ICWNNWHKIUORDH-QGZVFWFLSA-N 495.505 5.091 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc[nH]c5nccc4-5)CCC3)cc2)c1 1792123587 KISHXYMTPUWFEK-SFHVURJKSA-N 463.541 5.203 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)c4ccco4)CCC3)cc2)c1 1792126815 MJYLJYIJERLTLA-QGZVFWFLSA-N 463.484 5.446 30 20 JKED Cc1cc(C)nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)c1 1792168597 QJRFIBCMVWBREB-UHFFFAOYSA-N 482.584 5.419 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4C4CC4)CCC3)cc2)cc1C#N 1792169529 PHECTCSNYXCXLL-DNQXCXABSA-N 457.574 5.139 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792208056 QZHKIBGHZRDMRC-UHFFFAOYSA-N 493.648 5.456 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c3ccccc3n3ccsc13)C2)c1ccccc1 1798556161 UXCHYXFWRNJXKO-UEQSERJNSA-N 495.648 5.603 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(-c4nccs4)noc3c1)C2 1798592815 ISLFOZHAIJKCBL-REPLKXPHSA-N 478.618 5.196 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1798593039 HCZHKZSMGXAQFT-WKCHPHFGSA-N 454.998 5.844 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C 1800832708 PSZRIXILHORQMK-KOUNCHBCSA-N 481.637 5.096 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@@H]1c1cccnc1 1802492249 MIWJRKUAFOUELR-ZJSXRUAMSA-N 462.638 5.086 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1803089328 NYQZYSFLGMMPRB-XNOGGZAYSA-N 451.655 5.462 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1)C(F)(F)F 1807477795 SUZVFYCMEZHGMU-ZCYQVOJMSA-N 487.566 5.181 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)oc2ccccc12 1809167973 PJWSFEDHKYKDRJ-CPJSRVTESA-N 498.970 5.295 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810400260 MIPQDTMSALUPBW-HSZRJFAPSA-N 497.639 5.338 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(C)C)nn3ccccc23)[C@H]1c1cccnc1 1810495713 VNNYKPUVGITWQH-NVQXNPDNSA-N 487.648 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@H]1c1cccnc1 1810501171 AFADKCJBVXHHNG-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)c(F)cc3nc2Cl)[C@H]1c1cccnc1 1811353022 FHFYPTTXXQUMCM-XSSDXNQZSA-N 498.961 5.093 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)c1 1811935658 DKKSAQWYEZBDPM-APYZLOFPSA-N 484.644 5.188 30 20 JKED Cc1cc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)cc2s1 1812128843 CFSQFFDVQMNIJL-SUEVOUGKSA-N 497.624 5.193 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)[C@H](C)Cc3ccc(F)cc3)[C@H]2c2cccnc2)c1 1812471958 GARIHQSUKPWDJM-OGXFMVHJSA-N 498.602 5.046 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1812587737 OUHVIWOJQFINHP-CECAUBDESA-N 468.022 5.482 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1812809295 NLGUQHVRHPQHDU-BKMJKUGQSA-N 495.067 5.923 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c1 1813836858 BEIOSZSEAGPLIV-DVECYGJZSA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c1 1813867321 CYXUYKZCKQSHNZ-UWSIMGETSA-N 484.581 5.150 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1)C1CC(F)(F)C1 1814539537 IDZVYZMBCYKULU-DEOSSOPVSA-N 488.538 5.161 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1814744365 XMKUDWXWZZURPI-JOCHJYFZSA-N 472.932 5.167 30 20 JKED Cc1ccsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1816349595 ATLJILVODKKWRM-GOSISDBHSA-N 498.406 5.034 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)s3)n[nH]2)c1Cl 1816398877 DZPQJJMITDPFQU-HNNXBMFYSA-N 474.373 5.269 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)[nH]n1 1818117536 WTKONESQMPSRLB-BLGFXRMMSA-N 486.956 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3nc(C)sc23)n[nH]1 1818537097 HIBGLMVZAAGAME-FQEVSTJZSA-N 465.623 5.626 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)[nH]n1 1819557127 YQLXONRIJMYEBD-NRFANRHFSA-N 450.583 5.033 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820081157 WVFTYTNSFQLRGH-HSZRJFAPSA-N 480.572 5.185 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c1 1820433505 OSKPOXQVGKWLBB-YCRPNKLZSA-N 479.943 5.449 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccncc34)n[nH]2)c1 1821416131 LHMZWQYQVRLMQL-BVZFJXPGSA-N 478.556 5.205 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523732 BBGFHEHIZXUXDD-HSZRJFAPSA-N 483.572 5.651 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1821922426 JVXQKYBGQUUXRK-GBXCKJPGSA-N 481.600 5.848 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1821922439 KABMBWVISNVQBI-LAUBAEHRSA-N 471.561 5.669 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1821923021 RWHOXCQIKKMFTR-WIYYLYMNSA-N 471.561 5.465 30 20 JKED CC(C)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CCC1 1823066933 LUIYBXKCUDSTGG-FQEVSTJZSA-N 498.425 5.176 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1823752916 REWYWHOGQLRSHG-FQEVSTJZSA-N 453.549 5.259 30 20 JKED CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1824052551 LRXDBAPURSDLFR-IZLXSDGUSA-N 471.645 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2OC)CC1 1824321234 JGGNYAYMLPNLLD-RPBOFIJWSA-N 452.639 5.016 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1824866154 PZYRXXXYPQUYOP-LXFBAYGMSA-N 471.645 5.488 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cnc2C)CC1 1825450502 AJTIRUFDYUHPOM-JOCHJYFZSA-N 490.486 5.378 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)CC2)c1Cl 1826764516 UPVRTYWLZKTZMQ-IBGZPJMESA-N 481.946 5.178 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1827357357 ZJCDZYLBVXILNY-KBMIEXCESA-N 481.587 5.472 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1C 1827684193 YXTMYYQXEMXNBV-BREAQWACSA-N 464.631 5.037 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1828351465 HPGYWIRQOGDLRS-URXFXBBRSA-N 454.014 5.191 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1828827215 JVEMGBKXTHOQDI-OFVILXPXSA-N 483.056 5.147 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828828652 OLACQRJNUYNJJF-GJZUVCINSA-N 463.622 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(OC)c23)CC1 1828831491 VFEUECGSDZABQH-XUZZJYLKSA-N 463.622 5.178 30 20 JKED CCC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)n1cccc1 1829688827 JVKHTMNWNLFLRZ-ZEQRLZLVSA-N 481.040 5.288 30 20 JKED COc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC#N)CC2)cc2ccccc2c1Cl 1829707337 HTKAVBFRDDDNPT-JOCHJYFZSA-N 467.997 5.039 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)CC1)c1ccc(O)cc1 1830089305 QKSGQJKAPSRQJX-CUNXSJBXSA-N 494.582 5.101 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830408065 VUOGOSAGIQQJPD-QHCPKHFHSA-N 494.742 5.208 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1830410598 QWSVREDCUCKBBM-OTXYMOGGSA-N 493.570 5.139 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1 1830579020 PTHYERPDMHCPOA-XMMPIXPASA-N 467.972 5.206 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830653814 FOPSMNCSSCDMGJ-QRWLVFNGSA-N 486.415 5.167 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830718664 KARQFLOPGAOFFS-VWLOTQADSA-N 479.621 5.031 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccco4)no3)CC2)c(Cl)c1 1830721345 HNOHVPDWIGYXEJ-JOCHJYFZSA-N 492.963 5.007 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)Oc1ccccc1 1831232793 YEYROAVJZOAQOE-CJFMBICVSA-N 494.035 5.303 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)CC1 1831293992 SUCPEBMNMKFKAO-QHCPKHFHSA-N 475.073 5.503 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1831374404 PRFVAPWCRYTHRZ-JTSKRJEESA-N 466.544 5.160 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1831446444 MWOXGHXSLXLRJC-FQEVSTJZSA-N 485.600 5.599 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1 1832631906 JFJRYZGZFXFRGV-HRFSGMKKSA-N 468.601 5.342 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)c1 1838821892 ZRSFRROWIHXVGL-HXUWFJFHSA-N 494.035 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(Br)cccc3c2)C1 1844094484 AMROGAGWQCZFFZ-UHFFFAOYSA-N 467.407 5.188 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CCCc2ccc(C(F)(F)F)cc2)C3)c1Cl 1844734649 ZFPIDZNACWXXFE-UHFFFAOYSA-N 489.925 5.070 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845546968 UNKUFSYUXFJPRO-OAQYLSRUSA-N 485.584 5.250 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 10762756 VZMARTLRDFZWKS-UHFFFAOYSA-O 468.017 6.259 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 11247244 YSPYAZQBTKOUHV-UHFFFAOYSA-O 454.305 5.316 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2scc(-c3cccs3)c2c1=O 11383087 WGPGQBMCTPOTSZ-ZDUSSCGKSA-N 478.624 5.462 30 20 JKED Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2ccccc2c1=O 20041203 JYQNXLSZWDWNJQ-UHFFFAOYSA-N 474.973 5.144 30 20 JKED C[C@H](c1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1-c1ccccc1)N1CCCCC1 21726485 TVFZMFZLRNVFDL-QGZVFWFLSA-N 481.025 5.070 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccoc1C 21925468 CMVCIRDOUXTNRU-LLVKDONJSA-N 471.797 6.112 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)nnc1-c1cccc(C)c1 22160368 BNCHFKCKOFFETI-HNNXBMFYSA-N 495.630 5.076 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(OC)cc2)cc1 22731189 YSWICMVAMMIJEM-UHFFFAOYSA-O 469.577 6.215 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1 23874579 QWCVXAXUBKMLGS-HFJWLAOPSA-N 477.586 5.131 30 20 JKED C=CCn1c(SCc2csc(NC(C)=O)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 25638622 CQSONIGACSNKJY-UHFFFAOYSA-N 468.629 5.327 30 20 JKED C=CCn1c(SCC(=O)NCC2(c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1Cl 26675426 UWWZLAGTAFITEY-UHFFFAOYSA-N 473.429 5.378 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 29202213 HONHCOLIZBKGHF-UHFFFAOYSA-N 467.529 5.108 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 36807117 PHSGQOQKXNYDAX-DUXBZUBYSA-N 455.599 5.448 30 20 JKED Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1F 72010027 XSESTMIXZAUTOF-UHFFFAOYSA-N 487.600 5.326 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 116504622 FQLQJVOSSNOQOF-HXUWFJFHSA-N 452.489 5.434 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c2ccccc21 255927728 KIBADARMQSBVIM-FQEVSTJZSA-N 489.576 5.107 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 409786325 ATAOPNCQBYYNTH-WNCULLNHSA-N 455.558 5.621 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 410200574 UMRHORYZEVDMDC-UHFFFAOYSA-N 465.369 5.022 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)c1ccccc1 484256005 PJCKTPWKWMRSQF-UHFFFAOYSA-N 454.530 5.283 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 497952692 PMEYMXJILPCFBL-IBGZPJMESA-N 495.048 5.223 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 499189169 IZENXUVOZNKETB-FBCSTPJJSA-N 493.654 5.178 30 20 JKED N#Cc1cc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)ccc1OCC(F)(F)F 499775666 WVUOQWGFUKMCPG-UHFFFAOYSA-N 495.383 5.229 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)CC2 502905422 QPCDWTPWSIJTPT-UHFFFAOYSA-N 472.589 5.077 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2nc(C)c(SCC#N)s2)cc1 504816549 CNMILVLHOULILN-UHFFFAOYSA-N 462.600 5.795 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 505621272 QQILEAXBADOPTI-UHFFFAOYSA-N 459.889 6.228 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 506324355 VDZQCDPMBVUDDF-UHFFFAOYSA-N 474.138 5.052 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CC2)cc1 508269846 VKDAIUKWCZWBJK-UHFFFAOYSA-N 485.540 5.495 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 509097995 OVGDHRMCQYNWJQ-HKUYNNGSSA-N 492.954 5.568 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc(C)nc21 510832498 IQIOWDWNYHCQOS-CQSZACIVSA-N 498.534 5.901 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2c(F)cccc2F)cs1 513302250 TUZMERLHLXPYDW-SFHVURJKSA-N 491.519 5.507 30 20 JKED COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3sc(C)c(C)c3C#N)[C@H]2c2ccccc2OC)cc1 514612639 QYIJTMIUIDMMCU-PXDATVDWSA-N 489.597 5.377 30 20 JKED C=CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc(-c2ccccc2)cs1 514616847 RFLCEKYXSHINLL-UHFFFAOYSA-N 495.670 5.137 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1Cl 515774148 DLAKYTNHKNYHSF-DEOSSOPVSA-N 472.976 5.440 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 515820394 JAUHNMPGDFBLSE-UHFFFAOYSA-N 483.456 5.040 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)n2)ccc1F 515994625 RWAYCUSTIWKWDW-UHFFFAOYSA-N 456.477 5.206 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 516308939 VCBVUOZECDSWES-UHFFFAOYSA-N 453.951 5.361 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 517835417 BIBWGXKSWAMARI-UHFFFAOYSA-N 472.014 5.120 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[C@H](C)c1cccc(-n2cnnn2)c1 518233737 MSTZGIWMHMISKB-MRXNPFEDSA-N 497.386 5.333 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 518754386 IUHVFQOBCQYRHH-WBVHZDCISA-N 459.413 5.244 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 520837081 JGEFEOKMAYSRGB-KRWDZBQOSA-N 459.596 6.624 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1Cl 520933699 HCRVOKAPDMQYPU-QLBJFCOMSA-N 491.950 5.110 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1nnc(SCc3ccc(C#N)cc3)s1)CC2 521432489 GZSJFPYCWNVELQ-UHFFFAOYSA-N 495.630 5.090 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 521613850 QZPLRJWMZGZHOQ-DFBJGRDBSA-N 460.961 5.923 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 521813048 SKCJNNJYHIWQCH-IBGZPJMESA-N 463.647 5.555 30 20 JKED C[C@H](CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1c(Cl)cccc1Cl 522457095 ZBMNXUIMODXAQR-OAHLLOKOSA-N 459.377 5.029 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 524051000 JLLQFLSSCMANHD-XMMPIXPASA-N 450.897 5.143 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc3n[nH]cc3cc2C)c1 591196648 BUTLZRHNJIPOKS-UHFFFAOYSA-N 480.977 5.158 30 20 JKED CCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)C(C)C)cc1 603704644 OBQDZCWQEAGAJS-XMMPIXPASA-N 456.546 5.068 30 20 JKED CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 603901784 QMNPUMDEGKXURF-MRXNPFEDSA-N 490.471 5.313 30 20 JKED C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 603969413 RZMDYUNBKIMUED-QGZVFWFLSA-N 465.600 5.102 30 20 JKED CCC[C@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)c1cccc(C(F)(F)F)c1 608864184 BOCCCJFJEBXFOI-NRFANRHFSA-N 484.526 5.118 30 20 JKED CC(C)N(CCC#N)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 608959915 VRUXSGUOPNNPND-UHFFFAOYSA-N 458.406 5.163 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103929 JFHYBOKLUOSNSX-UHFFFAOYSA-N 475.501 5.744 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)c1 609212735 SRKZCZZRELFZLU-AREMUKBSSA-N 464.569 5.424 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 609331050 KSKYSWCGWURNQJ-FQEVSTJZSA-N 471.504 5.178 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609437408 UDMJGPJWXDAPCP-MQYQWHSLSA-N 481.462 5.045 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 612804542 QACYEVFXHISVTL-KBPBESRZSA-N 491.398 5.447 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(O)c2ccc(Cl)cc2n1 612847780 IVKGWQUWNJYRRP-UHFFFAOYSA-N 474.373 5.291 30 20 JKED C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)C1 613403411 OEDSOZGVGJCSKF-ZRGWGRIASA-N 488.034 5.106 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404937 QTWYQIODFQKJED-KRWDZBQOSA-N 454.477 5.667 30 20 JKED Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2C(F)(F)F)c1 613407604 ZENUCUBXEPVQMN-CQSZACIVSA-N 460.868 5.953 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccccc1C 613427623 VFDMQELDOMEMLP-MSOLQXFVSA-N 471.026 5.363 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)nnc1-c1ccoc1C 613908423 UCMUYMKISICBIT-JOCHJYFZSA-N 454.571 5.311 30 20 JKED C=CCn1c(SCC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 621171929 AHYFXJDXYCTPGW-NRFANRHFSA-N 453.011 5.486 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nc(CC(F)(F)F)cs1 622623723 GDXTVPAALIMVET-UHFFFAOYSA-N 452.298 5.303 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 626584313 PFLPYPSZLALTLO-UHFFFAOYSA-N 454.939 5.214 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)nnc1-c1ccncc1 639395229 KSGLFADZOKYYLC-SFHVURJKSA-N 462.406 5.588 30 20 JKED C=CCN(C(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1nc(-c2ccccc2)cs1 641902382 YKUJUQKKMQJMED-BWKNWUBXSA-N 479.602 5.059 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2ccsc2)C1=O 726419986 GYSHJQTXRFVWCF-QDKFNBQJSA-N 485.656 5.408 30 20 JKED C#Cc1cccc(NC(=S)Nc2cccc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1 726490592 NVSPJAWWEJYPLD-UHFFFAOYSA-N 479.602 5.033 30 20 JKED Cc1cc(C)c(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc3c(c2)CCCC3)cc1C 726572492 XMACRYNLLSWBNB-UHFFFAOYSA-O 472.634 5.285 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 726572949 ROQJUEXYWLSHBN-UHFFFAOYSA-O 482.456 6.883 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccccc2CC)c1 726574003 WZLJBICCOZTIDM-UHFFFAOYSA-O 454.402 6.148 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 726733185 REHWRCDMEQTIAZ-GOSISDBHSA-N 483.505 5.292 30 20 JKED COc1cc([C@H](C#N)NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC 727646833 GQRXPATZZADVGL-APHBUQMISA-N 488.384 5.144 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)/C(=C/c3ccco3)n3nnnc3-c3ccccc3)cc2)c1 728006065 QHNFUFVNKJFRIK-ONUIUJJFSA-N 488.507 5.021 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728062104 DQFMZAQVYBGPEM-INIZCTEOSA-N 498.461 5.812 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 729063156 BRGJLLKIOZHOEA-UQBPGWFLSA-N 457.599 5.658 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 729566391 QWDUVRULDOXYPN-LJQANCHMSA-N 480.565 5.080 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1 729892561 BVNSXPLQFNQHBQ-YADHBBJMSA-N 486.597 5.904 30 20 JKED COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c(Cl)c1OC 730434039 LOZZKIQFFXJDHL-GXDHUFHOSA-N 451.906 5.271 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CC2)cc1 730498995 LJXJKRWKOOWCGP-IBGZPJMESA-N 491.585 5.523 30 20 JKED COc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3OC)c(F)c2)c(F)c1 730633296 YXJCHZMQVBOCMD-QGZVFWFLSA-N 494.494 5.141 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 730942702 VICSPNOOKYAKNF-YCRPNKLZSA-N 482.968 5.596 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730943253 ALYVPOSBUJEARW-CYFREDJKSA-N 472.614 5.043 30 20 JKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 731040503 WJYCPNMSVUXCTD-IAGOWNOFSA-N 469.566 5.153 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C 731288025 NGNTXROMWBXRKL-OAQYLSRUSA-N 499.958 5.174 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2cccs2)c1 731309262 VAIDYADUGARSBB-HTAPYJJXSA-N 479.627 5.354 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 743526277 VABFDZIIOPALKX-HSZRJFAPSA-N 494.592 5.516 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccn2)ccc1Cl 743655958 WXBKZLCWZBNFER-QGZVFWFLSA-N 487.984 5.089 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCOC(C)(C)C)c1 746696617 RJFHEAXKLGSIBK-HXUWFJFHSA-N 490.025 5.124 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCOC(C)(C)C 746696804 VJKPOCCOIDTLPX-FQEVSTJZSA-N 471.598 5.218 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2ccccc2F)c1 750552894 MJOUHRJCDVJVDS-UHFFFAOYSA-N 488.968 5.146 30 20 JKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 751268771 GFSZJHBIEMDDIP-UHFFFAOYSA-N 480.933 5.065 30 20 JKED Cc1cc(CSc2ccccc2C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)on1 757907189 GXZQAJDAMCLPTH-UHFFFAOYSA-N 459.527 5.183 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CC(F)(F)F)C2=O)cc1 799213532 SQOZHRUBSHOEOF-LJQANCHMSA-N 479.524 5.225 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2cnc3ccccc3c2C(F)(F)F)c2ccccc21 826615080 YSHLMFVIJAGVSY-UHFFFAOYSA-N 451.404 5.162 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)c2nc3ccccc3o2)ccc1Cl 874628484 WOBGXPOVLKWNRP-UHFFFAOYSA-N 499.951 5.278 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)nc1C 899895945 ZOKKPEUGQBFLID-UHFFFAOYSA-N 475.024 5.214 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(-c2nc(C3CCOCC3)no2)c1 904585271 QVDWKZGCHPDURB-UHFFFAOYSA-N 493.507 5.031 30 20 JKED COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 915101796 LBPNMXUCUSIIRM-KRWDZBQOSA-N 454.935 5.320 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1 915102664 CKCMXRPMLDHPSA-HOCLYGCPSA-N 464.399 5.622 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)c2)c1 915284061 PTDSUQHRMBMURW-SEYXRHQNSA-N 465.553 5.028 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(Cc3ccccn3)C2=O)cc1 916211398 NUMNEWBVZFDRFC-OAQYLSRUSA-N 496.539 5.152 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(C[C@H]3CCCO3)C2=O)c1 916216744 YDAFCCUSTIXCHQ-FYYLOGMGSA-N 465.619 5.060 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3nc4ccccc4s3)o2)cc1OC 916326223 HRNLVYKXPPRADS-UHFFFAOYSA-N 463.544 5.003 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)CCc2ccco2)c1 916831448 HNSFLFHDFYRBLN-SFHVURJKSA-N 472.994 5.065 30 20 JKED N#C[C@H](C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1nc(O)c2c3c(sc2n1)CCCC3 916846913 HUUBPRGTEXYBMV-IRLDBZIGSA-N 493.592 5.460 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916900958 VFSLYOSITOCZFA-LJQANCHMSA-N 467.953 5.137 30 20 JKED N#C[C@H](C(=O)COc1ccc2cc(Br)ccc2c1)C(=O)Nc1ccc(Cl)cc1Cl 916932528 XQRUFRJTCDPJLC-QGZVFWFLSA-N 492.156 5.635 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 916936543 OHIDAXJVGWSEBG-INIZCTEOSA-N 464.971 5.074 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)c1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997885 ZQMPUHGOEDKMKV-HNNXBMFYSA-N 464.399 5.565 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917043681 MQXRCAKXQFSPGY-GCJKJVERSA-N 452.457 6.312 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cccc2c1=O 917046593 LBLGKFYWEQCEJY-LJQANCHMSA-N 470.937 6.522 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2nnn(-c3ccc(F)cc3)c2C)cs1 920390118 YKNBLHAHGKSTSD-MDWZMJQESA-N 461.522 5.060 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccncc2)c1 920439787 LIUNEZQFEYLYAT-UHFFFAOYSA-N 490.412 5.042 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 920804597 WSLTYDZIQVOUTI-KRWDZBQOSA-N 466.513 5.209 30 20 JKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(C(F)(F)F)cc1 920805070 FBWRPBQRAKFKOU-IUODEOHRSA-N 450.432 6.477 30 20 JKED COc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 920832719 TWJZKYLJUYZACJ-UITAMQMPSA-N 495.384 5.016 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccco3)n2[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 921249929 MYJFKYMMSHTKHQ-NNPSNHGLSA-N 467.620 5.269 30 20 JKED C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCC(C(F)(F)F)CC1 1286960980 KVIGKVUSHSFIKY-HSBZDZAISA-N 473.341 5.000 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)ccc3F)cc2)CCC1 1785958846 OMHVOPCWSRRDMO-UHFFFAOYSA-N 489.385 5.319 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc(=O)c5ccccc5o4)CCC3)cc2)c1 1786035973 CWSQLNAMTVHUGS-UHFFFAOYSA-N 491.547 5.045 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)CCC2)cc1 1786678854 CPUXRRGJOUGWHC-UHFFFAOYSA-N 488.535 5.249 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@@H](c3ccccc3)N(CC)CC)CCC2)cc1 1786679176 LJZOWTXWWUOSKO-RUZDIDTESA-N 465.663 5.123 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788368001 MOVBGJWBLCSYMH-KRWDZBQOSA-N 479.964 5.334 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc5sccn5c4)cc3)CCC2)cc1 1788411104 SNDJJQQVWMMZHY-UHFFFAOYSA-N 468.582 5.253 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(NC(C)=O)cc3)cc2)CCC1 1789177120 HDAQMAMRXXADKY-VWLOTQADSA-N 459.590 5.090 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CCC1 1789739695 IDANJGZRYXFRMS-UHFFFAOYSA-N 450.391 5.055 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC45CCCN4CCC5)cc3)CCC2)c1 1790459659 LPJHVRYSJOKVEE-NRFANRHFSA-N 470.617 5.080 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791585074 ZJNBTIQCFYBAME-SAIGFBBZSA-N 495.664 5.398 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ncccc45)cc3)CCC2)c1 1792292461 HLYKFFUMPIZGFV-FQEVSTJZSA-N 491.595 5.570 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OC)cc(C(F)(F)F)c1)C2)c1ccccc1 1798556771 GRWAWDUPQCRNBI-STAYPELNSA-N 498.545 5.163 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@](C)(OC)c2cccc3ccccc23)[C@@H]1c1cccnc1 1802433220 WDCKXWLVIFQVQJ-VWBUHFTISA-N 485.628 5.015 30 20 JKED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1803523272 IABLWTGAFYBVDH-WKCHPHFGSA-N 470.491 5.163 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1804213469 OVWIJOCNWYHAOZ-BKMJKUGQSA-N 498.067 5.592 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cc5c(Cl)cccc5s4)CC3)C2)cc1 1804943752 SWNGPNUCMOXMPG-UHFFFAOYSA-N 492.044 5.514 30 20 JKED CC1(C(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)cc(C(F)(F)F)c4)CC3)C2)CCCC1 1804989652 LGNKKTVHXCFXLQ-UHFFFAOYSA-N 461.528 5.002 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1805061196 OTWBFCJKCDSTER-HOFKKMOUSA-N 486.591 5.304 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1806620171 FHIDFWSJWNEWKY-LEAFIULHSA-N 459.634 5.136 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)C#Cc4ccccc4)C3)CC2)cc1Cl 1809297452 ZROCHXGGQWEMKC-UHFFFAOYSA-N 479.020 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)[C@@H]1c1cccnc1 1810503475 RETJUIYIJKZJFJ-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1)C(F)(F)F 1812303033 ODTOWYVRSQHUPD-WZONZLPQSA-N 493.485 5.419 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)s1 1813371345 VASRMVUCFSRXNL-LXAKAXFHSA-N 491.016 5.010 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3[nH]c4ccc(Br)cc4c3C)[nH]n2)C1 1814397521 PCXOZBQHXICXDB-HXUWFJFHSA-N 496.409 5.234 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@](C)(OC)c2cccc3ccccc23)n[nH]1 1814406860 STVZIPJYNPNELQ-KCWPFWIISA-N 492.645 5.036 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1814441713 FLXGMIMAUWGGAQ-SFHVURJKSA-N 486.041 5.971 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)n[nH]1 1816279410 AFBCSUGSFDKAAS-QGZVFWFLSA-N 463.504 5.122 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3ccc(Br)cc23)n[nH]1 1818664475 VATMJEJDJGWFDQ-VBKZILBWSA-N 484.398 5.172 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)n[nH]2)cc1 1818931676 SHPRQVBETAMQOP-IEEQIXEPSA-N 459.594 5.194 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4[nH]3)n[nH]2)c1Cl 1819190917 QLMVPRRHJSOKBD-SFHVURJKSA-N 478.965 5.097 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)[nH]n1 1819553663 PFXFENDYMTZRRA-OAQYLSRUSA-N 475.593 5.671 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)c2ccccc2n3CC)n[nH]1 1820225176 FMPZBNSBBLHFKQ-VWLOTQADSA-N 467.573 5.257 30 20 JKED Cc1cccc(Cl)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1821145186 OAIYCRLSTWJARZ-HXUWFJFHSA-N 465.916 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)c1 1821507581 JBCGVXZTYHASMB-ZHRRBRCNSA-N 499.596 5.577 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1821918217 HEXPEFJYRBOZOW-UUEFOYDDSA-N 460.500 5.346 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)[nH]n1)c1ccc(O)cc1 1822466763 NAFQCYZRMHBYBK-LEDOBFOHSA-N 490.629 5.170 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccccc3Br)CC2)[nH]n1 1822581104 JKSGJHDIIQOFTK-NRFANRHFSA-N 497.437 5.090 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)[nH]n2)c1 1823215839 HFQDPRDKOFSJFU-LHSJRXKWSA-N 481.478 5.074 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cn(-c4ccccc4)c4ncccc34)CC2)C1 1823700099 KQMYJTNWGXZPGQ-MHZLTWQESA-N 482.628 5.225 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)CC3)c2O1 1823812755 PPUJYTVDFQLKFF-MHZLTWQESA-N 499.655 5.138 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1)c1cccs1 1824032670 CGAQKQNZUOQCJO-QLHOHCLLSA-N 494.632 5.050 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c1 1824053279 NWQAZUHPNNLLTF-RUZDIDTESA-N 486.641 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(=O)c3ccc(Cl)cc3)CC2)c1 1824164883 IPHRDWGYEJTZDW-UQBPGWFLSA-N 492.019 5.083 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1824500150 UZXUHFPMEHFSCT-NRFANRHFSA-N 489.081 5.771 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCCC3)CC2)cc(C(F)(F)F)c1 1826264533 PDOCYBDBAVQRJX-QHCPKHFHSA-N 475.555 5.391 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991479 SVVHOJRGMGBIIW-HSZRJFAPSA-N 467.997 5.337 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828094325 KXDCKUOQGPJPES-HSZRJFAPSA-N 467.679 5.830 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1828338679 CIHZGBNWIPHQJV-XMMPIXPASA-N 455.042 5.185 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)cc1 1828456899 YVLDERFPISCQND-SATIQFTFSA-N 475.677 5.327 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1829595406 FFFJZWWDNIUJTG-RUZDIDTESA-N 487.669 6.096 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccn(-c3ccccc3)n2)CC1 1829779090 DNYCWOBEWYDORO-VWLOTQADSA-N 462.638 5.098 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1830410601 QWSVREDCUCKBBM-YJAHHDQYSA-N 493.570 5.139 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c[nH]1 1830720474 NKDGAQPLBXGBSQ-HSZRJFAPSA-N 481.040 5.384 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)c(Cl)c1 1830722397 HGYHEAAMXLTECS-KMEWNKIWSA-N 454.014 5.191 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1831371011 QILUCSPFAAJRQL-DBVZYWDVSA-N 463.622 5.022 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1831443826 FPEZVQDFDIMJNB-NRFANRHFSA-N 471.548 5.095 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 1831446884 LDWPIHQEMOAPOG-IBGZPJMESA-N 474.470 5.030 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1831856049 UXXQLIAZTZMCFK-HSZRJFAPSA-N 467.997 5.337 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1831925120 VHEUREDIIGTAHN-WGHVJBFBSA-N 490.619 5.220 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H]2CCOC2)CC1 1832455807 PTKXZBWEHIAYBA-POURPWNDSA-N 498.667 5.136 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1832634688 YRFJRLOEUODMRD-CLOONOSVSA-N 497.561 5.880 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)/C=C/c3cc4ccccc4o3)CC2)CC1 1835438367 NJDPLXBXKXYXLK-ZHACJKMWSA-N 477.649 5.010 30 20 JKED Cc1ccc2cc(C(=O)N3CC4(CCCN4C(=O)c4cc(C#N)cc(C(F)(F)F)c4)C3)sc2c1 1845513826 FDOARNGBWYWTIW-UHFFFAOYSA-N 483.515 5.231 30 20 JKED C#CCCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 1846779795 IAAXKPDICOUHLQ-UHFFFAOYSA-N 484.518 5.508 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 10179218 YAIIVRDDRIBAMJ-UHFFFAOYSA-O 489.492 6.585 30 20 JKED O=C(/C(=C(/S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F 10179235 AASKQIYTVVGZIJ-UHFFFAOYSA-O 492.398 6.489 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2C)cc1C 12191916 SEKYVQIHBGYUDS-UHFFFAOYSA-N 488.638 5.318 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1CC(=O)O 13066884 RXFJOPWMHDAYAR-XNWCZRBMSA-N 451.406 5.058 30 20 JKED COc1ccc(-c2noc(COC(=O)c3ccccc3SCc3ccc(C#N)cc3)n2)c(OC)c1 17659664 XQNFNMORWZUYAM-UHFFFAOYSA-N 487.537 5.275 30 20 JKED Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)cc2[N+](=O)[O-])n1 21688740 JEHQHIOXQQSLKI-INIZCTEOSA-N 496.570 5.003 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC1(C#N)CCCCC1 22110650 IHUFRUJYSTTXIZ-UHFFFAOYSA-N 471.557 5.131 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccccc2)c2ccccc12)c1cccc(Cl)c1 22354263 GJDABXQUJIBPRZ-UHFFFAOYSA-N 458.974 5.989 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)NCc2ccc(OC)cc2)cc1 22692694 MTYALCSMVXUHGK-UHFFFAOYSA-O 461.651 5.571 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)cc1 22730997 PVEVFIIFKDXOKL-UHFFFAOYSA-O 451.562 5.744 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccc(OC)cc1 23998004 GDWNHVXSHKZLJW-MRXNPFEDSA-N 476.558 5.208 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1Cl 46861658 OSRPJMVAHLTHFX-HXUWFJFHSA-N 450.947 5.497 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCc1ccc(F)cc1 46879865 AWNSRKNNQMIASO-UHFFFAOYSA-N 453.473 6.024 30 20 JKED CN(C(=O)CSc1nnc(Nc2ccc(SC(F)F)cc2)s1)C1(C#N)CCCCC1 104590033 OIKIFOBZHWLBJL-UHFFFAOYSA-N 469.608 5.373 30 20 JKED CC(C)c1nc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1 303197852 NRRJKRDDFJKIMW-UHFFFAOYSA-N 454.983 5.735 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 303374208 KXAYQMGITHTUJT-WMZHIEFXSA-N 476.671 5.921 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)c1 409767093 MGOUUVIQCOXJOJ-UHFFFAOYSA-N 471.266 5.800 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 476142629 HMSUUZXUGZCYAQ-UHFFFAOYSA-N 492.391 5.502 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 488013323 HPLNCUINEVPMJJ-UHFFFAOYSA-N 483.499 5.150 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cc(F)ccc2Br)c1 490626319 JOSLMEMOUUZQMU-UHFFFAOYSA-N 498.377 5.121 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CC1 498320220 UOZCQWYHXREJSB-MRXNPFEDSA-N 464.509 5.149 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1)C(=O)N(C)CCC#N 501578486 GWEKNWUTECFHHB-LJQANCHMSA-N 461.635 5.144 30 20 JKED C[C@H](NC(=O)NCCSCc1ccccc1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 502561368 UZWVGULKQPMHOJ-IBGZPJMESA-N 490.604 5.172 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1 505709263 NLOUGFQBHOSBFS-UHFFFAOYSA-N 452.514 5.473 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 508276794 WOEWLBLNPSVHNB-UHFFFAOYSA-N 490.604 5.396 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CC2 509724998 RFAFZBUOSGUOKS-JZQBQCRLSA-N 485.584 5.369 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 510267084 DIQXVBFRLRKRCV-UHFFFAOYSA-N 453.523 6.225 30 20 JKED C[C@H]1CCCCN1Cc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511406802 YBLYRTQLOKXPEB-QHCPKHFHSA-N 482.628 6.028 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1 512374248 DVMMPSAOUAUELA-QHCPKHFHSA-N 469.566 5.573 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)cc1 513728852 VJSMCFZKHGRGSP-XMMPIXPASA-N 477.948 5.406 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c12 514034963 RMBDRTSWSVHQEX-UHFFFAOYSA-N 470.602 5.543 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F 515540935 JWFOJZIXOMTFPZ-MRXNPFEDSA-N 482.830 6.275 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1 517517568 CHTQDJBGKKADIZ-YKSBVNFPSA-N 457.599 5.889 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 520836868 BMOUKYBRYBYODL-UHFFFAOYSA-N 478.471 5.862 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 521259550 RBYUOOOOWNQJCL-CYBMUJFWSA-N 455.873 6.195 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1C 521495147 MTDVWRGRQJPFJN-UHFFFAOYSA-N 455.543 5.279 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)c2)c1 521544544 UXXJRIQGOPIMQT-VWLOTQADSA-N 473.960 5.387 30 20 JKED COc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1Cl 522482289 BGXMUPZCJBAOBW-UHFFFAOYSA-N 465.918 5.768 30 20 JKED CC(C)COC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccco1 523984060 GLBBFFGAJZSZPA-NRFANRHFSA-N 481.936 5.066 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C(C)C)cc1 524261559 WLLDSMNTHVJZEB-DEOSSOPVSA-N 456.546 5.150 30 20 JKED C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 524385550 DSSZVFJJCGKKAB-KDURUIRLSA-N 457.530 5.101 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 582921961 TZZNXIITBYKGHK-CYBMUJFWSA-N 484.931 5.713 30 20 JKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OCc2ccc(F)cc2)cc1 590805810 ADXASDWPRDSEDX-WBAXXEDZSA-N 492.435 6.238 30 20 JKED C=CCN(C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 596363230 ZEQPPSZKRLORAC-LJQANCHMSA-N 486.601 5.603 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccco2)c1 597560938 BZWLANKEQTWJJC-NRFANRHFSA-N 485.613 5.631 30 20 JKED Cc1cccc2sc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)c(Cl)c12 603609544 CHEFVTXWDRDYSY-UHFFFAOYSA-N 467.957 5.004 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(OCc4ccccn4)c3)c2)cc1 603810151 FLRYDRVJNGKTGN-UHFFFAOYSA-N 478.552 5.627 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1OC 603909831 TVXRJDUKGOGYMB-UHFFFAOYSA-N 491.598 5.189 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C 604450584 GGHXXMOMQYHWMA-PIIMJCKOSA-N 486.460 5.720 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cccc(OCc2cccc(C#N)c2)c1 608789098 RRVRGIDAGZRKPL-QFIPXVFZSA-N 468.601 5.244 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](c4nc(-c5ccc(Cl)cc5)no4)C3)c2)cc1 609209973 YSYBNORFOMNQQM-FQEVSTJZSA-N 499.958 6.465 30 20 JKED COc1ccccc1[C@H]1CCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609404005 AUZMXQQSSSYFSR-GOSISDBHSA-N 477.508 5.022 30 20 JKED O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517990 SZKCFULFANBWKV-IBGZPJMESA-N 487.375 5.263 30 20 JKED O=C(Cc1ccccc1OC(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518140 XDUDEDCEGQQZJL-KRWDZBQOSA-N 483.355 5.468 30 20 JKED O=C(NCc1cc(Br)ccc1OC(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 624415721 VKYIFHXJVAUNAB-NXEZZACHSA-N 499.196 5.323 30 20 JKED N#C[C@@H](C(=O)c1nccnc1-c1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 642282245 XOIXFJJXRSBTTB-LBPRGKRZSA-N 481.484 5.872 30 20 JKED O=C(Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(C(F)(F)F)c1)c1ccccc1 643189354 XFACZKWFCRBFOZ-UHFFFAOYSA-N 456.317 5.766 30 20 JKED C=CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 645077562 JDCIYCBNODXATC-ZCYQVOJMSA-N 469.566 5.693 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c1 726023187 CYTJHEUTWHPXDR-BSSNWTCHSA-N 495.664 5.127 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)S/C2=N\CCc2ccccn2)cc1 726110550 ILBKOXGTGYTFPW-DXWCKFLSSA-N 486.641 5.078 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\CCc3ccccn3)N(Cc3sccc3C)C2=O)c1 726111205 SIFHOTAOOSAFIU-HMHYKHAESA-N 492.670 5.140 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 726403337 ZYPJGMXSRKRJIG-OXJNMPFZSA-N 493.551 5.399 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H]1CCc2c(Cl)cccc21)c1cccs1 726415728 KSTHRSNDGUQVMP-WFGZFBBTSA-N 474.051 5.119 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)cc1NC(C)=O 726427955 BTQHALCLXFCQSP-JXMROGBWSA-N 499.485 6.156 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OCC(F)(F)F 726626783 LKTRCYZEKCUFDM-IDUWFGFVSA-N 484.908 5.567 30 20 JKED CCOc1ccc(OCC)c(N2C(=O)/C(=C\c3cccc(OCCCC#N)c3)SC2=S)c1 726985946 HISSTXAOBXSPFH-PXLXIMEGSA-N 468.600 5.572 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)CC2)nc1 727590223 XGMQXIMVBWNNEN-MRXNPFEDSA-N 476.433 5.030 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCSc3nc4ccccc4s3)s2)cc1 727968753 DMGOTFXISXENLJ-UHFFFAOYSA-N 469.642 5.433 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(F)c(Cl)c1 728777741 NOFAPFDZRWBIAZ-HXUWFJFHSA-N 483.956 5.005 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3scnc3C)C2=O)cc1 729141962 GREKXMBXHPYNSI-OAQYLSRUSA-N 492.626 5.123 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 729890328 YQFQYPFWOMZRCB-QFIPXVFZSA-N 451.530 5.203 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 730943922 NJNRWBLPUSRTCA-KSFYIVLOSA-N 496.995 5.273 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N([C@@H](C)c2cccnc2)C1=O 730944513 XKGXABODBHJDOP-FDDCHVKYSA-N 474.586 5.120 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1cccs1 731308978 PAVKSUBJDDOFIE-OPAMFIHVSA-N 495.626 5.054 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccc2cccnc12 731310899 SARYJXBKSHZFIM-DEOSSOPVSA-N 496.592 5.409 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)cc2)cc1F 731313434 ZCWWCVHHOZKWGZ-QHCPKHFHSA-N 493.560 5.009 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1CSc1cccs1 742979894 HJVSCIMZJNYDCF-IQMFZBJNSA-N 456.589 5.386 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1-c1ccccc1Cl 748483912 YRHQVJCZPXNKND-IBGZPJMESA-N 499.958 5.798 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)c(C)c2c1 764113851 ZFPGVVWTBUONAR-UHFFFAOYSA-N 466.921 5.020 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837871743 JLDLCUUPZORVGP-NTKDMRAZSA-N 488.613 5.510 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CC(C)C)C1=O 913119591 SVLCZQJXQQXBAC-QHCPKHFHSA-N 496.633 5.050 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)cc1 913365901 WOUIWNYVDFOPDL-UHFFFAOYSA-N 477.369 6.056 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915087973 FSRPWTUECDMLAY-UPVQGACJSA-N 478.017 5.486 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 915180707 RGGVPYGMKFFLSX-IZLXSDGUSA-N 490.563 5.873 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cs1 915976626 VQPWZJMPBZHEPO-UHFFFAOYSA-N 483.859 5.854 30 20 JKED O=C(O)C(=O)/C(=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2n1 916138437 IJUVWZUMEMOHBT-MOSHPQCFSA-N 491.330 5.988 30 20 JKED C=CCN1C(=O)N[C@H](c2ccc(Br)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166736 PXVQTJCWOWYOER-LJQANCHMSA-N 494.311 5.633 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccn3)C2=O)cc1Cl 916211193 LQKWWVOHEJXXPG-NRFANRHFSA-N 482.968 5.343 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc2ccccc12 916217006 BEDIHVGGFFQGCO-DEOSSOPVSA-N 475.614 5.453 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916217916 YNDDUTLOEOKXGY-NRFANRHFSA-N 483.515 5.981 30 20 JKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1cn(-c2ccccc2)nc1-c1cccnc1 916278606 XMSKUWGXSCNWJH-UHFFFAOYSA-N 457.950 5.017 30 20 JKED COc1cc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1OC(C)C 916393733 UDOXIFTVODFKCU-UHFFFAOYSA-N 459.546 5.449 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C 916904153 XMTWIQDBARWYTO-FQEVSTJZSA-N 482.005 5.770 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 916908166 LTNHSXWZCXDUKR-FQEVSTJZSA-N 480.499 5.254 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1OC 916927655 AJLGGWNYFDQCRW-ZDUSSCGKSA-N 476.341 5.095 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1Cl 916940311 XWAFEUNBSOFKRX-GOSISDBHSA-N 478.961 5.078 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 916954503 IMYRCMMEIIKUNK-KSFYIVLOSA-N 481.474 6.367 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1 916956114 XUMYMAAEMCJRNK-GUXCAODWSA-N 490.629 5.315 30 20 JKED COc1cccc(CO[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916995762 FJHDRXBUKMRXMP-ACJLOTCBSA-N 461.370 5.907 30 20 JKED CCOCCCn1c(NN=Cc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)nc2ccccc2c1=O 917586879 AOYQLRGSEYAQGI-UHFFFAOYSA-N 499.402 5.070 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2cccc(CO)c2)C=C1 917611134 SXWGCDCKILWNAE-UHFFFAOYSA-O 498.628 5.349 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(Cl)ccc2Cl)cc1 917612619 AJKRESQWCBCQGK-UHFFFAOYSA-O 469.417 6.428 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 917674783 QFHXYPHDNBLPLB-QFIPXVFZSA-N 474.542 5.064 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)cc1 917679057 CKUNQLAPEKMHPC-NRFANRHFSA-N 482.993 5.160 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2F)s1 917696641 NUKGVPXWLUSTCK-FQEVSTJZSA-N 489.544 5.634 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 917763021 MUKMRIYNPOFELT-HNNXBMFYSA-N 450.926 5.171 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2occc2CSc2ccccc2)cc1 917805156 NUBNDKVCWVZOJX-VYIQYICTSA-N 497.642 5.417 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)cc2Cl)cc1 917876646 OWMKCOWPEZVTDO-UHFFFAOYSA-N 459.933 5.769 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143749 ZQPCNVSOZIBGSE-FZKQIMNGSA-N 468.401 5.801 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)c(Cl)c2)no1 920351609 CNIXFLWPUIXLPM-LJQANCHMSA-N 489.384 5.450 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3c(C)noc3C)C2=O)c1 920355077 HXAKWKGARIHPNP-OAQYLSRUSA-N 498.992 5.114 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCc2ccc(F)c(F)c2)cs1 920375791 ZCALRBXNLXKVDI-UHFFFAOYSA-N 454.424 5.248 30 20 JKED COc1ccc2c(C)c(CCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c(=O)oc2c1 920807120 YMLFRCCQCZKCOJ-QGZVFWFLSA-N 480.492 5.321 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 920869082 MYYMUQBWJJOJRD-LIRRHRJNSA-N 480.417 5.236 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCCOc4ccc(Br)cc4)CCC3)cc2)C1 1785808110 PTHYFQJWJSGYPW-UHFFFAOYSA-N 497.433 5.708 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccnc5ccccc45)CCC3)cc2)cc1 1785881797 OZESVYSDAQZXEG-UHFFFAOYSA-N 460.537 5.097 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1786394018 NSWVFLGHVIEENE-XMMPIXPASA-N 488.613 5.525 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(F)c(F)c4)CC3)CCC2)cc1 1786679541 RSSCTXSQHYEANQ-UHFFFAOYSA-N 456.558 5.050 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(F)s4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1786979023 JNZASKGXHHEVCX-IBGZPJMESA-N 499.608 5.201 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](N)c4cccc(Cl)c4)cc3)CCC2)c1 1788051621 DBHLAGBFFGCUPJ-IQGLISFBSA-N 487.003 5.415 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5ccccc45)cc3)CCC2)c1 1788890985 JEWZSBOWLXASIA-UHFFFAOYSA-N 476.536 5.177 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cccc6cccnc56)cc4)CCC3)c2c1 1788913468 MCSPERSUAQEIQJ-UHFFFAOYSA-N 486.535 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c3CCc3ncccc3-4)CCC2)cc1 1789456225 MKKXUKWDLVQMBT-NRFANRHFSA-N 481.600 5.086 30 20 JKED Cc1nc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1789918822 JGEIQHPGJMSSNE-UHFFFAOYSA-N 465.645 5.328 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)c(Cl)c3)CCC2)cc1 1790569489 OOHUNECVPDKRJW-AWEZNQCLSA-N 463.912 5.167 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)c(Cl)c1 1790767238 QANLBIMNQMZARO-UHFFFAOYSA-N 480.955 5.821 30 20 JKED Cc1cccn2ncc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)c12 1790985783 XBEBCOOPVUGIDQ-FQEVSTJZSA-N 477.568 5.331 30 20 JKED Cc1nccn1CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#Cc4ccccc4)cc3)CCC2)cc1 1791111025 PIDUJCWLWZNFAT-UHFFFAOYSA-N 488.591 5.039 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCCC(=O)Nc3ccccc3)CCC2)cc1 1791296002 KTJKNDVCBHPKIG-UHFFFAOYSA-N 469.532 5.141 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(NC(=O)OCc4ccccc4)cc3)cc2)CCC1 1791497123 WWDTXPUOFOJRCN-UHFFFAOYSA-N 496.567 5.026 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5c(c4)OCO5)CCC3)cc2)c1 1792122367 KUGCGBAAHJIRRG-IBGZPJMESA-N 481.552 5.033 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCC(F)(F)F)c(F)c4)CCC3)cc2)CCC1 1792233587 UMQSLSKBPSTGEQ-UHFFFAOYSA-N 489.469 5.208 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)CCC2)cc1 1792263116 KPABKFXPMNSWJL-UHFFFAOYSA-N 480.490 5.257 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C)C2 1792567395 JPSLFOYJHVTYQX-KHUIQGCPSA-N 497.680 5.191 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1)c1ccc(Cl)c(C(F)(F)F)c1 1796896004 BYDLLPXEUWLBGJ-YEXBIGLPSA-N 496.938 5.111 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(s1)CCN3C(=O)OC(C)(C)C)C2 1798334977 QVTCRPTUWTUBEF-YRPNKDGESA-N 499.677 5.066 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(F)cc1C(F)(F)F)C2 1798416746 BHLMLWMHYALUBW-WKCHPHFGSA-N 496.621 5.076 30 20 JKED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800811001 MCZUOYSAJSSAIZ-CAUSLRQDSA-N 484.596 5.475 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCc1ccc(F)c(Br)c1 1801447883 XJLTZVNKLDKRDB-FFGOWVMKSA-N 479.434 5.151 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1 1802389795 POOVESKIPFWVAR-RBJSKKJNSA-N 498.627 5.105 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)[C@@H]1c1cccnc1 1802500721 ODUSQHXXNLFKMG-CJFMBICVSA-N 492.570 5.220 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1803078168 SLMUGSBVMICVQB-WNCULLNHSA-N 486.591 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803092600 XFOZTSSGBXUYQF-RCZVLFRGSA-N 478.036 5.241 30 20 JKED C[C@@H](C(=O)N1CCCC2(CCN(C(=O)CCc3cccc(C#N)c3)CC2)C1)c1ccc(Cl)cc1 1805188917 KBPNMVWNJCYOBZ-OAQYLSRUSA-N 478.036 5.179 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)C1 1806016209 PHHIDFWFIKYACA-UHFFFAOYSA-N 474.645 5.490 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CC2)C1 1806028205 YVTJNUNMHIHESR-RLWLMLJZSA-N 496.598 5.321 30 20 JKED Cc1csc(C(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)cc(C(F)(F)F)c4)CC3)C2)c1 1806242324 QJPYWPHJCFYOJU-UHFFFAOYSA-N 475.536 5.106 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4nc(C(C)C)cs4)C3)CC2)cc1C#N 1807357681 JHFMZUYSVKOIGM-UHFFFAOYSA-N 494.661 5.084 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc5ccccc5c4)C3)CC2)c1Cl 1809125539 HTCCTKVZOKTNTM-UHFFFAOYSA-N 486.015 5.452 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1809278407 MZJWCFGHENYKDB-QHWMMSMNSA-N 468.601 5.026 30 20 JKED Cc1cccc(C)c1C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810271544 HQAOULOZMUVYSE-SHQCIBLASA-N 475.709 5.069 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2Cl)[C@H]1c1cccnc1 1810275271 SRTGDQUMSNJCCB-KCWPFWIISA-N 496.127 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3cccs3)on2)[C@H]1c1cccnc1 1810498645 OGEZUJCEGFJIMJ-CVDCTZTESA-N 478.618 5.110 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811220594 NXEGUMIGPXCRDE-NTKDMRAZSA-N 493.394 5.202 30 20 JKED Cc1cc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)cc2s1 1812128844 CFSQFFDVQMNIJL-VAQYAFAPSA-N 497.624 5.193 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1 1812808176 FHXHCYLPLFXPMU-AOYPEHQESA-N 460.622 5.269 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3csc4c3CCCC4)[C@H]2c2cccnc2)c1 1813865214 CNEZSKGCBYQFGF-HEXNQTKTSA-N 498.652 5.282 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)[nH]n1 1814443533 ZDFFBHTVVGARHL-FQEVSTJZSA-N 464.566 5.463 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1814731246 JNEACDNTSGJAPM-WYEJZRMESA-N 485.588 5.155 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](S)C(C)C)n[nH]1 1815244273 ZUQIIQOZDMKLPN-ZJSXRUAMSA-N 477.634 5.040 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815536327 UNUDBZQFVWJSTB-QZMUEMGWSA-N 472.511 5.328 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc(C(F)F)c2)n[nH]1)c1ccccc1 1816082161 LUOLEYIEMZJUPC-NZQKXSOJSA-N 491.542 5.245 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccnn3C)c(Cl)s2)n[nH]1 1817773506 FHOHXORZBFAPOV-IBGZPJMESA-N 499.040 5.025 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1818660774 DKIDOQAENMXCCG-WAIKUNEKSA-N 497.555 5.417 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1818797525 DKZMAJYSNXXLHZ-XMMPIXPASA-N 487.629 5.007 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Br)cc3s2)n[nH]1 1819076609 QLNAMVKQRUDKNR-GOSISDBHSA-N 499.434 5.496 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C(C)C)nn3ccccc23)[nH]n1 1819305821 ONBAJLARJVFDOG-CTNGQTDRSA-N 474.609 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1819308143 WXPJKAUARYNPLA-OFNKIYASSA-N 497.599 6.225 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)[nH]n1 1819310308 YEMPTRYGVVPBGN-TZIWHRDSSA-N 471.001 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)[nH]n1 1819553417 GDIWQRRHQMMJLJ-QGZVFWFLSA-N 463.504 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)[nH]n1 1819554141 HMDQZMBLZJFNRN-OAQYLSRUSA-N 462.598 5.078 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(-c3cccc(OC)c3)c1)CC2 1819595991 GYEFWXXCMCOTAF-TZIWHRDSSA-N 490.629 5.141 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819965282 FRUIPALSXJAHKF-GFCCVEGCSA-N 463.337 5.295 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2C(F)(F)F)n[nH]1 1820468692 QNVNRLLVYALAPO-JXFKEZNVSA-N 460.500 5.503 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4)n[nH]3)c[nH]2)cc1 1820482709 DAZMQPXWEIXNLN-VWLOTQADSA-N 478.556 5.205 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1)C(F)(F)F 1820505091 LMJWQTXRBPTZNZ-OAHLLOKOSA-N 461.271 5.141 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)c(C#N)c2)n[nH]1)c1ccccc1 1820910317 FZRPQQZPUSXKQD-SHQCIBLASA-N 487.579 5.095 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)[nH]n1 1820977656 TUJSIYFYSLKMNR-KDOFPFPSSA-N 480.396 5.132 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c(Cl)c1 1821120997 HPTFQYIVRPWABJ-LJQANCHMSA-N 486.334 5.347 30 20 JKED C#CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4occc4n3-c3ccccc3)sc2C1 1821171141 DTHKUEPQQJTAFX-SFHVURJKSA-N 486.597 5.099 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)ccc2[nH]1 1821585858 SHFGFGFXZSXFAJ-HSZRJFAPSA-N 486.963 5.344 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)n[nH]1 1821756297 JPAXLEWHCNDVSU-NAKRPHOHSA-N 491.680 5.171 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1821924441 BUCJAIHNSBHMDD-UGSOOPFHSA-N 479.806 5.344 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)[nH]n2)c1 1823216074 OIXDKKJRSJTDDC-BCHFMIIMSA-N 497.599 5.445 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823218545 STQQLUUHTIUQOD-MHECFPHRSA-N 471.561 5.055 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 1823299680 VAFRTSYTTRFSNV-LJQANCHMSA-N 464.463 5.067 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1823659914 NOWSOEAPKCKUGO-XMMPIXPASA-N 499.797 5.478 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1823676425 YZAAIABVCDPWDE-HXOBKFHXSA-N 499.442 5.563 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)cc12 1823683548 NQRAFNZHRZQWHC-MUUNZHRXSA-N 482.628 5.214 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Sc2ccccn2)CC1 1823755150 LVNUELULTKBYOP-IRLDBZIGSA-N 457.684 5.174 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cn1 1824050757 IMRNPSLVYWZCGX-SANMLTNESA-N 486.660 5.117 30 20 JKED O=C(c1ccc2cc[nH]c2c1)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055335 HXYXOAOFFLGCFD-SANMLTNESA-N 474.004 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1824141414 QBZPFQKILJGSAU-XMMPIXPASA-N 497.083 5.552 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)CC1 1824998499 DRUMYLHSFSBGEA-VWLOTQADSA-N 473.057 5.279 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc(C(F)F)c3)CC2)c1 1825406692 PIMHFMMWIADGLE-UUOWRZLLSA-N 480.559 5.193 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccs3)CC2)cc(C(F)(F)F)c1 1825779210 RMUQNRZADUFMGP-HXUWFJFHSA-N 475.536 5.186 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)cc1 1826572150 WVCZNNVPQUSXPL-AREMUKBSSA-N 478.036 5.007 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c1 1828010787 CYVNLZDRURURCR-KPURRNSFSA-N 479.624 6.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828357609 LWFPXPRSYPMRIH-WGGMLVHQSA-N 495.623 6.007 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1828891104 SXYIAGUPEJQMGB-RDPSFJRHSA-N 483.653 5.333 30 20 JKED COc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1F 1828908775 VHIOGLBOLKZNGU-HSZRJFAPSA-N 486.704 5.119 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1)c1ccccc1 1829031595 BGLZUJDYAPOQRF-MFMCTBQISA-N 493.651 5.665 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829454656 UERCBOFRLJSKAC-WMLDXEAASA-N 474.454 5.089 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829690060 IJAAYSGMTIFGGE-KWYINTIXSA-N 480.008 5.450 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)CC1 1830115557 VVWYWNHRBWQWRO-JTHBVZDNSA-N 459.030 5.350 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830493005 DWFLETHOKCFKRY-NTKDMRAZSA-N 452.620 5.031 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)cc1 1830627012 GZZBMCWJWNPSRA-FQGSIFQHSA-N 480.612 5.181 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1Cl 1830628774 WIQJJDBLAIQEFK-VWLOTQADSA-N 464.009 5.262 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3ccccc3)n2)CC1 1831446028 SBVDGVOITLONMJ-DEOSSOPVSA-N 467.560 5.193 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2N2CCCCC2)CC1 1831447068 NKZLDWJSKMEBKE-QHCPKHFHSA-N 473.608 5.122 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)CC2)C1 1831719119 PFWWWXRJYOOLBL-SGNDLWITSA-N 485.466 5.139 30 20 JKED CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CCCCC1 1831792861 XTPJSHRPFKIDBH-OAQYLSRUSA-N 490.570 5.176 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1831852936 FHVAXOPVKBJMOH-OAQYLSRUSA-N 468.947 5.396 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)CC2)C1 1832713377 OBXDFMHBPBILIK-OAQYLSRUSA-N 453.385 5.332 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1)C(F)(F)F 1832713739 WWVRLSKEGQDJEY-GOSISDBHSA-N 480.424 5.196 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1832897925 NJBGJQGDJIITHH-KBMIEXCESA-N 464.009 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1835679399 HXGOQBSONVMJPD-XTBZXYEFSA-N 479.709 5.156 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)Cc3ccccc3)CC2)CC1 1836675205 MROGAJDBDPGLFN-AREMUKBSSA-N 466.666 5.022 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)CC1 1838523542 DFGKJANYZFJTCP-UHFFFAOYSA-N 477.630 5.085 30 20 JKED O=S(=O)(c1cc(/C(O)=N/c2cc(C(F)(F)F)ccc2Cl)ccc1F)N1CCCCC1 3021541 ZIYIHXPGSULNOT-UHFFFAOYSA-N 464.868 5.309 30 20 JKED C=CCNc1nc(C(=O)OCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)cs1 10071747 NVYJAICUDGEQCQ-UHFFFAOYSA-N 482.509 5.258 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2ccc(Oc3ccccc3)cc2)c1 10172380 LHLLUNIJFIVFOK-UHFFFAOYSA-O 470.618 6.081 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1cccc(Br)c1 10836334 QZEVGISJJHXGDT-UHFFFAOYSA-O 497.221 5.800 30 20 JKED Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 10927329 MIZXJZFAHCNUJR-CQSZACIVSA-N 451.523 5.068 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 16772066 RSPQXBZHYXWDAB-INIZCTEOSA-N 495.674 5.904 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(F)cc1 17704906 DHIKJMJHWUCIHV-CYBMUJFWSA-N 452.471 5.082 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccc(F)cc1 21338209 DUQBKOCTPKAXCS-MRXNPFEDSA-N 452.555 5.228 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)nnc1-c1ccc(Cl)cc1 23222315 FOKYCJSFTUCYFN-IBGZPJMESA-N 493.976 5.441 30 20 JKED Cc1ccc(-n2nc(C)c(NC(=O)CSc3nc(C)cc(C(F)(F)F)c3C#N)c2C)cc1 23266941 YWOFZQWPKOVORK-UHFFFAOYSA-N 459.497 5.122 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccncc1 23338797 VOQIMZKWKPRAKV-INIZCTEOSA-N 486.626 5.179 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccccc2Cl)cc1 23603998 NJGQTKGZGBTDGK-UHFFFAOYSA-O 455.047 6.527 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1ccc(Br)cc1 24015693 PRSCZMRCNHPACH-AWEZNQCLSA-N 489.464 5.735 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)cc1 28649278 DJSIHKZLJHIORF-UHFFFAOYSA-O 477.606 5.102 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccnc2OCC(F)(F)F)cc1 33108071 WJMRLTZGJIDYFZ-UHFFFAOYSA-N 457.477 5.117 30 20 JKED C=CCn1c(SCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)nnc1C1CC1 45417283 LBCUWLURMAHDBA-OAQYLSRUSA-N 489.066 5.197 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3n2C(F)F)n(Cc2ccco2)c1C 45602904 JPBCKLRXRIUOPZ-UHFFFAOYSA-N 455.490 5.094 30 20 JKED C[C@@H]1CCCCN1C(=O)c1ccc(NCC(=O)Nc2ccccc2SCC#N)cc1Cl 59805732 YQROJWYNORFWKD-MRXNPFEDSA-N 456.999 5.021 30 20 JKED COc1cc(/C=C2/CC/C(=C\c3ccc(OC(F)F)c(OC)c3)C2=O)ccc1OC(F)F 83314189 VEDZOFJAZKIHIR-CKOAPEAFSA-N 452.400 5.737 30 20 JKED C=CCn1c(SCc2cc(Cl)ccc2OCc2cccnc2)nnc1-c1ccccc1OC 107824205 VYZPZCVSGYUIPM-UHFFFAOYSA-N 479.005 6.059 30 20 JKED CC1(C)OB(c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)OC1(C)C 221718640 FNOBGUBLXGONLO-UHFFFAOYSA-N 496.419 7.298 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)c1 255933486 MBRLNSIIVLNHIX-HSZRJFAPSA-N 453.999 5.043 30 20 JKED CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)[C@@H](C)c1ccc(C#N)cc1 302940204 BKAVZINUQOYTJO-SFHVURJKSA-N 465.550 5.030 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 303041333 GYTHGARLTXSDIS-UHFFFAOYSA-N 479.349 5.045 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3cccc4ccccc34)cc2Cl)c1 410402005 AJQWEQOMVWLDMP-UHFFFAOYSA-N 469.928 5.199 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)CCc2ccco2)nnc1-c1ccc(Cl)cc1Cl 483039691 KINDPJAIDOIHDQ-CQSZACIVSA-N 465.406 5.261 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2c(F)cccc2n1CC 483243135 GJSXRFOXMHZXJL-UHFFFAOYSA-N 457.962 5.498 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 483675340 XWENWVBCZGJGJM-UHFFFAOYSA-N 462.521 5.723 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 485679500 BPJJDDXSJWFSTL-QGZVFWFLSA-N 481.474 5.314 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 486248838 HOGXBNZDLBJZNY-UHFFFAOYSA-N 481.394 5.326 30 20 JKED Cc1nnc(SCc2c(C(=O)N3CCCN(c4ccccc4C#N)CC3)oc3ccccc23)s1 490237655 FPXWYZXBZVLUFT-UHFFFAOYSA-N 489.626 5.109 30 20 JKED CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 497526314 MFTRGBMBHMGESS-SANMLTNESA-N 496.592 5.389 30 20 JKED C[C@@H](C1CC1)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccc(C(F)(F)F)c1 498383884 CHIAGWOYRSRJDV-INIZCTEOSA-N 464.509 5.228 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cc1C 498734441 NTLXEROCEYLHCZ-UHFFFAOYSA-N 491.595 5.538 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 501551035 MJXKFJJHCJZYON-HOTGVXAUSA-N 456.999 5.151 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccccc1SCC(=O)N1CCCC1 501776290 XVLBZXWGDFMOTB-UHFFFAOYSA-N 491.426 5.131 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)c2)c1 503356891 SINBBBYFNXLFDY-UHFFFAOYSA-N 492.873 5.235 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)nnc1-c1ccccc1 504278351 BWDGBGBJWJXILZ-LJQANCHMSA-N 498.656 5.985 30 20 JKED COc1cc(OC)c(OC)cc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510022912 HFFMUFXMSDXNGW-FQEVSTJZSA-N 465.937 5.343 30 20 JKED COc1ccccc1N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510023615 NRVTXNBOQVXCCB-JOCHJYFZSA-N 460.965 5.358 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)nn1-c1c(Cl)cccc1Cl 510369521 ORYIRYDRBQUNAH-CYBMUJFWSA-N 453.333 5.074 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511328729 SIPFWXXWOUCBCE-UHFFFAOYSA-N 482.367 5.236 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2cccs2)cc1 512581296 GAAYZIHMAVLOEH-QUGAMOGWSA-N 471.630 5.631 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccc(C#N)cc4)CC(C)C)cc3)o2)c1 515370834 CUDIITWVAAVUIS-UHFFFAOYSA-N 450.542 5.882 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(I)c1)c1nc(-c2ccccc2)cs1 515543970 ZKTMGDKHQXQHIN-CYBMUJFWSA-N 464.715 5.558 30 20 JKED C=CCn1c(SCC(=O)N(C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 515697345 NDNQUBVEZBVGBB-UHFFFAOYSA-N 451.354 5.332 30 20 JKED CCc1ccc([C@H](NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C(C)C)cc1 515890752 XXUDBMDILJSMRB-HHHXNRCGSA-N 469.585 5.346 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)c2)cc1 515940643 NNRSEWDBOJTQLO-MUUNZHRXSA-N 493.538 5.315 30 20 JKED CCc1cc(O)nc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)n1 516390899 AXEWONGNSGUWTC-UHFFFAOYSA-N 466.566 5.828 30 20 JKED C=CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516464067 KYSMUPYFVOYQNZ-UHFFFAOYSA-N 453.568 5.626 30 20 JKED N#C[C@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 516790124 IJFUJDJNIIDRJG-OAQYLSRUSA-N 491.576 5.618 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)Cc2ccsc2)nnc1-c1ccc(Cl)cc1Cl 517437141 CGJFXTZRJBTULD-CYBMUJFWSA-N 467.447 5.339 30 20 JKED Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 519440772 VMYBSELUAYOFCA-IBGZPJMESA-N 477.655 5.518 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3nc4cc(Cl)ccc4s3)c2)c1 520245632 JCDNKGHQNPPWSQ-UHFFFAOYSA-N 460.946 5.645 30 20 JKED CC[C@@H](C(=O)N1CCC(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1)c1ccccc1 520965012 OVWWBWHKSZQWPF-GDLZYMKVSA-N 467.613 5.412 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4SC[C@H](C)C#N)cc3)o2)cc1 521726944 UCZGARFYRUFZGQ-GOSISDBHSA-N 454.555 6.216 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc1 523311562 JDVYWSMPRSIRAF-UHFFFAOYSA-N 492.563 5.268 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 523375136 GGSBWMAGOWNZKU-NVXWUHKLSA-N 464.381 5.800 30 20 JKED CCc1c(C)sc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1C#N 524106125 YIIWCFCSPVPTGT-UHFFFAOYSA-N 455.649 5.532 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 588263140 WKEPXSNMMHLWOX-UHFFFAOYSA-N 454.523 5.242 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 603747405 IOKXXLVBQKYZTA-JOCHJYFZSA-N 479.502 5.155 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)CC1 603800151 JQLNOJVKNWHVAM-DEOSSOPVSA-N 469.589 5.019 30 20 JKED N#Cc1c(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)sc2c1CCCC2 603945848 ADBFSISEZQSQIX-ATIYNZHBSA-N 469.610 5.617 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)o1 604006267 AWRQDRUSKOLTDN-UHFFFAOYSA-N 469.472 5.052 30 20 JKED Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)nc1 604089607 HTRTXXAYRWEECW-UHFFFAOYSA-N 489.963 5.590 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)c2)cc1 604136508 YZLIDRSRHWTYJZ-LJAQVGFWSA-N 489.575 5.370 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cccc(Cl)c3Cl)cc2Cl)cc1 604507932 IXEMLWBFHJSEQU-UHFFFAOYSA-N 474.731 5.566 30 20 JKED COc1cc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OCC(F)(F)F 604548024 DVWLBUMIIUOTHX-UHFFFAOYSA-N 471.435 5.267 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)N3CCCCC3)o2)cc1 609057812 PRMCSFPCRHATLB-UHFFFAOYSA-N 463.921 5.262 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1 609370597 HNMFPQLEBHSXSX-SFHVURJKSA-N 496.662 5.035 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 609377252 SMIGSKKRLGGKIK-CQSZACIVSA-N 470.019 6.466 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nn(-c2ccccc2)c2c1CCC2 609389267 ISXMNKHGYVIHTJ-GOSISDBHSA-N 462.644 5.485 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609434618 CUNJJKWFJQKIRY-MGPUTAFESA-N 466.607 6.543 30 20 JKED CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539354 ZJMCGDBYTKUORY-PHIMTYICSA-N 451.333 5.366 30 20 JKED O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 618542538 UUDQOWAWCZAHKZ-KBPBESRZSA-N 477.380 5.673 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 622255321 GLJRKORJZPXHOR-OAHLLOKOSA-N 486.405 6.739 30 20 JKED Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)s2)c(C)c1 622283173 QLYVZVHFENHJQI-OAHLLOKOSA-N 451.523 6.319 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnn(-c2ccncc2)c1C(F)F 622284293 WUEJYQMLPJYZPA-UHFFFAOYSA-N 450.289 5.495 30 20 JKED N#C[C@@H](C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642281991 ABSDLMFQGVBVBY-SFHVURJKSA-N 477.471 5.598 30 20 JKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nn(CN(C)CC#N)c1=S 725771695 GEQSIOFVVFTFFW-UHFFFAOYSA-N 471.586 5.071 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\CCc2ccccn2)s1 726107476 DOWGOLABDPYRBZ-HRQGHCQOSA-N 478.643 5.084 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 726319710 NDZLWWILKDJAAZ-IBGZPJMESA-N 457.477 5.281 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S/C1=N/[C@H](C)c1cccs1 726419538 FRLQSHCNSRGKRQ-SPXBZFAHSA-N 499.580 5.193 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccc(CC)cc2)c1 726572445 FSZVTKMZNAMNPE-UHFFFAOYSA-O 470.618 5.248 30 20 JKED CN(C)C1CCN(c2ccc(N=Cc3cc(Br)cc(Br)c3O)cc2F)CC1 728226490 QNPYOXLJGGPAOM-UHFFFAOYSA-N 499.222 5.337 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1C 728420186 AAVOXGXRJYOAOG-DVECYGJZSA-N 483.597 5.292 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O)Nc1ccccc1 730460189 UXRVOEKCEQLXSF-GOSISDBHSA-N 461.559 5.514 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)s2)n1 731075971 QLKJOKPHZXTXRT-GFCCVEGCSA-N 478.020 5.715 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1Cl 731313520 YURNTYZVCXYPJT-QFIPXVFZSA-N 490.972 5.078 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 731332156 FAAIPFPEQMUQLW-WBFOAEISSA-N 487.697 5.762 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(Cc2ccccc2)C1=O 743524275 IWPIUFQWMAUBBG-QHCPKHFHSA-N 477.561 5.303 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 743524399 JRLFGGILNGWPTE-NTKDMRAZSA-N 490.604 5.867 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)SC1=Nc1ccccc1C#N 746694060 MWTKJCMJRHBJRO-JOCHJYFZSA-N 499.036 5.297 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccccc3Br)s2)ccc1S(C)(=O)=O 747061922 QQGWBKWQTNNGOJ-CSKARUKUSA-N 477.401 5.486 30 20 JKED Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 824076455 RXCRPFZUZYQCMI-ZWKOTPCHSA-N 472.570 5.027 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 837296467 OMJGHYHULAEXBP-QVKFZJNVSA-N 499.423 6.110 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2cccc(F)c2)C1=O 837513135 ANJLJFPZXURCEA-HSZRJFAPSA-N 477.561 5.037 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@H](C)c2cccnc2)C1=O 837881014 ATAZRGXUEXETAW-OPAMFIHVSA-N 495.004 5.465 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839384976 IZPPRGYZBBKNEU-DEOSSOPVSA-N 490.485 5.756 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1cccc(Cl)c1 853770985 VSLRMJCJDVNYLM-KRWDZBQOSA-N 453.999 5.354 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1sccc1C 914557906 SWEUVNFKDJSDFL-NRFANRHFSA-N 495.626 5.234 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(\Cl)c3nnc(C(=O)NCc4ccccc4)s3)c2)c1 915987190 XCYQGZJYLVIXFM-UCQKPKSFSA-N 486.984 5.656 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc2ccccc2n1 916849177 SQXINAUUHALFAE-QZTJIDSGSA-N 452.341 5.270 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1 916955348 POUMJCNQGNULKB-FOIQADDNSA-N 482.009 5.182 30 20 JKED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916966510 NWAMVACQMLPQSG-NRFANRHFSA-N 478.957 5.365 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 917042279 AKIPGJZYDVVBDJ-VUDGCMKMSA-N 456.367 6.103 30 20 JKED C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044889 VODGLTHGHWYMIK-KOLCDFICSA-N 459.276 6.266 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2cc(Br)cs2)c1=S 917457066 KLDPVAWSXAZWGJ-UHFFFAOYSA-N 465.442 5.189 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccsc2)c1 917666211 GFFJZUSTRCLFAL-OAQYLSRUSA-N 465.600 5.226 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 917666881 PWRCGUMSFWUWKJ-FQEVSTJZSA-N 469.563 5.056 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccc(Oc3cc(C)ccc3C)nc2)C1=O 917669823 WXYURKUYDVVHJR-QHCPKHFHSA-N 488.613 5.067 30 20 JKED CC(=O)Nc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)c1 917670061 ZIAOOMKKOMERSV-DEOSSOPVSA-N 486.597 5.114 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)Nc2cccc(OCC#N)c2)s1 918596801 YARZWHAXTUPBRB-UHFFFAOYSA-N 470.554 5.646 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 918609826 CEFNGTHEGWJUDO-ULJHMMPZSA-N 482.414 5.273 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1=S 918731139 KZRPOHVGEMBPDL-UHFFFAOYSA-N 467.038 5.397 30 20 JKED C[C@H](OC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 919295836 CZHWJLVQOCNDID-AWEZNQCLSA-N 492.944 5.077 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 919825574 NFWIOXFFOIQQGY-UHFFFAOYSA-N 481.961 5.041 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 919894001 VYGKWFCZVSSTTO-UHFFFAOYSA-N 495.988 5.349 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 920103212 QDOXBBADDKSELI-WMLDXEAASA-N 450.951 5.380 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCSc1ccc(Br)cc1 920109267 NLNYUENXEWJBFR-HNNXBMFYSA-N 481.799 5.249 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cc(C)on3)C2=O)cc1 920359151 HTXPISOWZQDSBX-QHCPKHFHSA-N 476.602 5.575 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(N2CCOCC2)cc1 920873259 RBXZQQSGVLRLBE-NRFANRHFSA-N 470.573 5.051 30 20 JKED CCCCCCCC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2I)c1 920882729 XFDAXHNSGITISA-UHFFFAOYSA-N 478.374 6.151 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 921282447 BEGRUFCASANWKK-UHFFFAOYSA-N 458.992 5.466 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1778141373 OTRRGQLGDAPGSU-LEAFIULHSA-N 497.035 5.496 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3ccc(OC)cc3)CCC2)cc1 1786367533 TVTNDTYIMFSVGX-QZQOTICOSA-N 462.590 5.215 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(F)c3)CCC2)cc1 1786371125 HADIGPGPRRIFDY-LJQANCHMSA-N 473.548 5.227 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cccs4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1787277695 QRIVYNRXKVXRIY-FQEVSTJZSA-N 481.618 5.061 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(OC)c3)cc2)CCC1 1788358145 RNMBIUVUEZRAMG-RUZDIDTESA-N 499.611 5.078 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)c(Cl)c1 1788880978 UJUJAKOADFBKDD-UHFFFAOYSA-N 454.313 5.520 30 20 JKED CC(C)(C)c1cnc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cn1 1788882862 UWEYLOAFXPMWTR-VAWYXSNFSA-N 488.613 5.022 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=C(C)CC3)cc2)CCC1 1789109285 DOGQHDDXTLINHW-OFNKIYASSA-N 481.637 5.336 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ccccc4c(Cl)c3OC)[C@H]2C1 1789285453 PIZVOUNBRVUHTM-VJBMBRPKSA-N 499.051 5.088 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4OC(C)(C)C5)CCC3)cc2)c1 1790072804 QGXYVMKNJOJSOU-UHFFFAOYSA-N 495.579 5.342 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)cc1N(C)C 1790453671 IHBDVUZHTLCFOC-UHFFFAOYSA-N 496.611 5.013 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCc3ccccc3F)CCC2)cc1 1790564288 WHPDBTLXBOWQCK-IBGZPJMESA-N 453.558 5.083 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1 1790569356 LMVSAFNHOUJLBZ-OAHLLOKOSA-N 479.474 5.393 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3O)cc2)CCC1 1790614329 SKYHFLZCNNPYIW-UHFFFAOYSA-N 469.379 5.096 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccc(Cl)cc5nn4)CCC3)cc2)c1 1790762548 JXFQKHAFRGOSRJ-UHFFFAOYSA-N 499.933 5.355 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790870884 FAJVAEKVGDQUOX-UXHLAJHPSA-N 490.007 5.108 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)ccc1CNC(=O)OC(C)(C)C 1791576670 ATBLAZJPZDANNE-SFHVURJKSA-N 497.661 5.086 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3cncc(C(F)(F)F)c3)cc2)CCC1 1791773519 XGRKGALYHNYPLJ-UHFFFAOYSA-N 489.538 5.150 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1 1792471304 YNQMFLCBOAPUMC-KIHHCIJBSA-N 474.004 5.270 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc[nH]c2cc1Cl 1797612011 ZKGBDXYMAAXIIY-ACDBMABISA-N 470.089 5.124 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CNC(=O)OC(C)(C)C)c(C)c1 1799262664 VMJKCAJDCFXKBE-BKFWDETESA-N 497.680 5.264 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cc(Cl)ccc2Cl)C3)c1 1800766764 AXWQXSDUZVKBOI-KOUNCHBCSA-N 470.400 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCCCC(F)(F)F)cc1 1800813646 JLDHMMFORKWWAW-WKCHPHFGSA-N 480.571 5.652 30 20 JKED C=CC[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](CCC)CC1)NC(=O)OC(C)(C)C 1801813434 LTKZUNOLQDWETR-BRPVHVPTSA-N 489.701 5.091 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncc(Cl)cc2Cl)[C@H]1c1cccnc1 1802368248 GBPDANLVSVNUPO-LAUBAEHRSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c(F)c2)[C@@H]1c1cccnc1 1803499670 BAPIPCBDAWBJRV-OZXSUGGESA-N 465.613 5.160 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cc(Cl)ccc2Cl)C3)c1 1803683941 KHAYYXXVUIOXCL-LTFXSFKNSA-N 484.427 5.505 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(F)c(F)c3)C2)CC1 1810385155 VODCFOOEQFVYTB-UHFFFAOYSA-N 493.598 5.640 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810946274 GSYJWOSOOOUTOH-UGKGYDQZSA-N 491.529 5.552 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1811285376 FRZJOEMTWWIOJW-NRYAXDJKSA-N 472.614 5.081 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H]1c1cccnc1 1811579443 VJKMLENEDCBTNL-NFCJYOSASA-N 493.611 5.157 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1811617177 OECVHOYLYAZDJA-JDXGNMNLSA-N 494.639 5.104 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812303061 POXRICDNRBBFAU-SKCUWOTOSA-N 479.580 5.494 30 20 JKED Cc1c(Cl)ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)c1Cl 1813768350 MPHNJTFAOOFNRO-YKSBVNFPSA-N 493.394 5.202 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814148360 IZLJDIKMNOUDGH-FIBWVYCGSA-N 473.661 5.474 30 20 JKED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CCCCCCCCc3ccccc3)[C@@H]2c2cccnc2)CC1 1814149256 SPKPCXORMCTCDY-XCZPVHLTSA-N 486.660 5.365 30 20 JKED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2CSc2ccccc2)[nH]n1 1816747775 RMYYLKQCHPZHDW-OAQYLSRUSA-N 495.555 5.200 30 20 JKED CC(C)(C)c1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1817710436 HAAVCKYZZRCSIC-NRFANRHFSA-N 490.995 5.247 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(C)c2F)n[nH]1 1818435596 TZRPULPDTFWPKG-LJQANCHMSA-N 489.389 5.119 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818992559 MWJNGLNWFAFYJF-OAQYLSRUSA-N 451.546 5.328 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(F)(F)F)nc3ccccc23)n[nH]1 1819193098 OATZFZJTFPKNQN-NRFANRHFSA-N 497.521 5.476 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1819304561 FHRRGLURLUKYCY-BKMJKUGQSA-N 483.616 5.854 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)c21 1820218942 HXWUNXSQXOEVLE-NRFANRHFSA-N 486.963 5.046 30 20 JKED CCSc1cccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1820398402 DOTIYXVYZMBULT-FQEVSTJZSA-N 497.741 5.274 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccccc3Br)CC2)n[nH]1 1820947008 ZUBKUBJFQSHYEM-NRFANRHFSA-N 497.437 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)c1 1821033188 UOERRVDYBUWRGE-JLCFBVMHSA-N 497.933 5.588 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1)c1ccccc1 1821310716 MHSDRMOJFCELET-AOMKIAJQSA-N 495.505 5.410 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)[nH]n2)c1 1821325326 UYVFHOSQHVHJPF-HSZRJFAPSA-N 498.974 5.411 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821427528 YDBAOPFLKVTAHZ-NZQKXSOJSA-N 477.996 5.686 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821564060 CYIZYYQIMBBYAI-QHCPKHFHSA-N 477.996 5.686 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1821811619 QMKQTIQDYALDAF-HHJKRLRDSA-N 487.579 5.361 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)[nH]n1 1821926427 QUBYFOHQQHJLTC-SLZUCMDTSA-N 471.399 5.090 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1821989554 AGUMRPKDAUKCQT-MRXNPFEDSA-N 475.298 5.373 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1822055220 PQZKWVAPYMYYFE-NBGIEHNGSA-N 469.589 5.284 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)[nH]n1 1822392820 GRLPPPZMIKRDMO-JOCHJYFZSA-N 493.608 5.175 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1822582740 WRKKMTCXNHIUAS-IBGZPJMESA-N 491.817 5.325 30 20 JKED Cc1ccc(/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)s1 1822738501 TXDHRMQCMZQZML-XSGBVPCISA-N 473.602 5.426 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823215691 ALRQOXVSVMMDHE-QMHKHESXSA-N 491.979 5.318 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)n[nH]2)cc1 1823299955 XLGXTDVIDAUOGA-OAQYLSRUSA-N 499.468 5.253 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c1 1824051887 UJHWHTVJHHMHFK-QHCPKHFHSA-N 484.065 5.068 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1824058573 RBZQDRJFQYOKTL-BKMJKUGQSA-N 474.979 5.057 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1824540136 GHKLEBXHLOPDRX-NFBKMPQASA-N 483.703 5.342 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 1824761077 GNVJRZYTITWYPB-LOSJGSFVSA-N 497.680 5.006 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)cc1C#N 1826534819 SBMAUVVVEAKHBN-SHEYNDHISA-N 485.628 5.292 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 1826684027 YXLZQHSXXRQQLL-VWLOTQADSA-N 457.574 5.016 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827684618 KOIFWVXGQZTGFA-GRYYTAOJSA-N 458.668 5.323 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)cc1 1828415372 OSLAOZZLHPVLMW-JYFHCDHNSA-N 489.582 5.028 30 20 JKED C=CCCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cnccc34)CC2)c(O)n1 1828653730 AIDFDMLFQPHEPC-MHZLTWQESA-N 498.627 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)CC1 1828933184 PWCMHJHIUFIQRP-ZCLKUGBOSA-N 464.675 5.262 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C)n2)CC1)c1ccccc1 1829030711 XBUNRYDREMISTE-IAIGDRPBSA-N 483.656 5.220 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1)c1ccccc1 1829033253 TYDFMLDRHUZTGH-FTJBHMTQSA-N 487.669 5.431 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830416628 KUFGCCRWKOVSCQ-WXVAWEFUSA-N 491.632 5.513 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1830417179 TTXMVXOXUDWXHL-OXQOHEQNSA-N 468.425 5.028 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(Cl)c1 1830723040 VBWUMOQQKRSOBY-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1831446785 HNSLKACOUKAOTF-REXAPNPKSA-N 485.575 5.021 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1831840327 HMADTJFDRKDGBA-AOMKIAJQSA-N 489.479 5.154 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1832030444 PWOPEKIBUNIQTF-VGOCBJJDSA-N 475.633 5.003 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1832030466 QKQFSDHSHRKDFK-JOCHJYFZSA-N 450.957 5.045 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CC2)CC1 1838735359 CPHOXRBWUKQXNS-VQTJNVASSA-N 494.598 5.106 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Oc4ccccc4)cc3)C2)c(Cl)c1 1845313277 OVENDSWAWCWWIF-UHFFFAOYSA-N 471.944 5.135 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(Cl)cc1Cl 14133528 BBRXGEHVCISEKB-UHFFFAOYSA-N 451.354 5.616 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nnc1C1CC1 20972544 JNHDBXHNOCITHH-IBGZPJMESA-N 459.402 6.120 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 22695185 DJSZMNRVRNQGRM-UHFFFAOYSA-O 480.387 6.563 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22732107 GPSZIMLWOVFQPL-UHFFFAOYSA-O 469.605 6.372 30 20 JKED Cc1ccc(-n2c(SCc3c(C#N)c(C)nn3-c3ccccc3)nnc2-c2ccncc2)cc1 23201597 AKMUWSUKFCTRNZ-UHFFFAOYSA-N 463.570 5.296 30 20 JKED Cc1cccc(-n2c(SCC(=O)N(CC#N)c3ccccc3)nnc2-c2c[nH]c3ccccc23)c1 23421241 AEFJCVNTSJKVRN-UHFFFAOYSA-N 478.581 5.373 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nc2ccccc2c1=O 23547103 PEEGPDQDIKHITC-HNNXBMFYSA-N 472.595 5.401 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(-c2ccc(C(C)C)cc2)no1 24703570 LDCZVBSCFSYFRD-UHFFFAOYSA-N 465.554 5.648 30 20 JKED C=CCn1c(SC[C@H](O)Cn2c3ccccc3c3ccccc32)nnc1[C@@H]1COc2ccccc2O1 25766812 RITLLILKCCGYEU-BCHFMIIMSA-N 498.608 5.238 30 20 JKED C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 25994358 SJOAXQFMBARFBQ-LBPRGKRZSA-N 457.832 5.116 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(C)c2)c1C 28695784 LTFDZRRXWJWWSG-UHFFFAOYSA-O 486.617 5.608 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 29997815 UQPHENHMMKIEJO-UHFFFAOYSA-N 498.992 5.009 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(F)cc3)s2)nnc1-c1ccc(Cl)cc1 30793797 KOEOLMSTTLYWRS-UHFFFAOYSA-N 486.985 5.320 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCC(c2nc3ccccc3s2)CC1 32786681 QSCQLCFOMBYXLU-UHFFFAOYSA-N 489.670 5.163 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc(-c4nnco4)cc3)c2C#N)C1 36740859 WXBONMLGNJNODE-MRXNPFEDSA-N 450.564 5.228 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCN1c2ccccc2Sc2ccccc21 106137932 XASMDNIVCHZVDA-UHFFFAOYSA-N 459.619 5.155 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2ccc3ncccc3c2)c1C 303355321 ONXBYAMYFJXXAY-UHFFFAOYSA-N 460.497 5.349 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 409791452 HMBYIEUZAOJKOB-UHFFFAOYSA-N 498.852 5.559 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCN(Cc4ccc(F)cc4)CC3)cc2F)c1 481598155 PARKEGMIOMCDRO-UHFFFAOYSA-N 476.527 5.155 30 20 JKED COc1ccc(CSCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1[N+](=O)[O-] 488009438 BOFGGLCTPRKCPE-UHFFFAOYSA-N 479.533 5.076 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccccc2CN(C)C2CCCCC2)cc(OC)c1OC 497745314 KHYQYBNSFHXOEX-UHFFFAOYSA-N 451.611 5.519 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cc2cc(Br)cc(Br)c2o1 500178393 RVUUWEGMLQXOII-UHFFFAOYSA-N 450.086 5.090 30 20 JKED O=C(NCc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1)c1ccc(C(F)(F)F)cc1 502445863 OBQVTTQCYNIAFA-UHFFFAOYSA-N 470.344 5.444 30 20 JKED C=CCN(C(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 505869769 OYFLBBOXAYYSJU-KDURUIRLSA-N 492.601 5.160 30 20 JKED O=C(NCCCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 506976144 XBVKYWNIWVUJLW-UHFFFAOYSA-N 459.365 5.412 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)o2)cc1 507886285 GRUOVIODAYUFNZ-UHFFFAOYSA-N 458.499 5.140 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1-c1cccnc1 511100906 YAKKUWOWIAEBKB-SFHVURJKSA-N 462.406 5.588 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511341204 NHEIFLPJCPYIIM-UHFFFAOYSA-N 467.529 5.034 30 20 JKED CN(Cc1cc(Br)cs1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511419394 ALSQNKFYEOHQFU-UHFFFAOYSA-N 470.392 5.820 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 511773663 CJDDDXQPNHMBCI-UQBPGWFLSA-N 453.542 5.289 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c([N+](=O)[O-])cc1OCc1cscn1 512365013 QJQHHTPQQHEJTK-UHFFFAOYSA-N 484.559 5.093 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@H]2c2cccc3ccccc23)CC1 512577823 NHEFOCLTCSZUNT-DEOSSOPVSA-N 466.541 5.540 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515674509 JGPZYDPHZWFGDK-UHFFFAOYSA-N 470.510 5.278 30 20 JKED C[C@H](Nc1ccc(NC(=O)CN2CCCCCC2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 515758620 DWUAIVHXILQGIP-IBGZPJMESA-N 493.677 5.142 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1SCc1ccc(C#N)cc1 516390398 OCJPWHKWRWVJTR-UHFFFAOYSA-N 484.408 5.868 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 517461723 MSNVGLUJJOGRNS-FQEVSTJZSA-N 482.609 6.111 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(OCc2cccnc2)cc1 517849907 METKBCZMPGAMDZ-HXUWFJFHSA-N 492.535 5.140 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)o1 518115016 AACGUMKVKMYDEQ-CQLNOVPUSA-N 487.987 5.842 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nccnc3-c3nc4ccccc4s3)n2)cc1 518516747 VXUKYUWOWHXUCI-MRXNPFEDSA-N 469.551 5.375 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1 518670055 RZSXKVMEMCILEK-SNVBAGLBSA-N 450.303 5.080 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccn(Cc2ccccc2)c1=O 518857119 KATSNLVAWBDCQJ-UHFFFAOYSA-N 451.501 5.063 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccc(Cl)cc1Cl 519059068 DVZZEWMKUJUSPV-UHFFFAOYSA-N 485.400 5.559 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)ccn2)cc1 519199096 NHOZTUSAYPWINB-UHFFFAOYSA-N 466.497 5.868 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 519439450 NWIJOVHYFSSKPF-MRXNPFEDSA-N 489.441 5.460 30 20 JKED COc1ccc(C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccc(OC)cc2)cc1 521420656 GPLONHHYFNQRCN-MHZLTWQESA-N 457.574 5.479 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)n2)cc1 521434499 SIVIOKVQGHOSEH-QHCPKHFHSA-N 499.617 5.360 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 522164457 KZAKQEDZASIHAM-IBGZPJMESA-N 482.613 5.131 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 524679363 DCCZPGUERAIEIY-UHFFFAOYSA-N 483.977 5.100 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SC[C@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccco1 553312063 SWBCIIQPHQOISD-KGWQXZSYSA-N 478.618 5.133 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 553320023 MWCGTGXWPCAHDL-DOTOQJQBSA-N 467.513 5.003 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccccc4F)n3C3CC3)c2C#N)C1 589918449 OQTTXLHERQNAHZ-AWEZNQCLSA-N 481.622 5.598 30 20 JKED COc1cc2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[nH]c2c(OC)c1OC 603920905 GYUCCUYZTFRMRA-UHFFFAOYSA-N 471.513 5.091 30 20 JKED C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)C[C@@H](C)O1 604022224 NFDQTZVHPKNGSA-KDURUIRLSA-N 471.582 5.211 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 604365107 PEYZXQQWCZUBDP-JOCHJYFZSA-N 450.542 6.552 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1)c1ccccc1 604534781 RJFTZCSAIVYPGS-VWLOTQADSA-N 483.572 5.052 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604562222 ZDZHQBKMCQOYHQ-GASCZTMLSA-N 487.400 5.954 30 20 JKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(NC(=O)Nc2ccccc2)cc1 608811889 UMERGJHIYXDTHC-LJQANCHMSA-N 480.524 5.865 30 20 JKED Cc1ccc(-c2nc(CCNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)co2)cc1 608818024 SMYDMNKUBHOGMQ-UHFFFAOYSA-N 453.546 5.017 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(C(F)(F)F)c1 608845337 RULLMABGNYWUAI-JOCHJYFZSA-N 482.462 5.216 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)c1 609020257 QTNRGHSGMTUSBF-UHFFFAOYSA-N 458.905 5.992 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 609061293 YULGSRVPHZVKNX-UHFFFAOYSA-N 497.595 5.092 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 609061680 UGVQYBTWLJWPCF-SANMLTNESA-N 455.539 5.013 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)COCc3nc4ccccc4s3)cc2Cl)c1 609063242 SIPCKBOWWXZZEF-UHFFFAOYSA-N 463.946 5.556 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2)c1 609064330 PBBCGPAXIZENCV-UHFFFAOYSA-N 471.520 5.637 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 609066177 ABUGXYARQZAMAK-UHFFFAOYSA-N 452.244 5.693 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 609080980 QOZIPWNLKIMFHV-OAQYLSRUSA-N 494.599 5.529 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609105406 YGFULDKDTHENAX-CQSZACIVSA-N 469.856 5.244 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC(Oc5cccc(C#N)c5)CC4)cc3)o2)cc1 609185408 XFYDHNPWCYDWLD-UHFFFAOYSA-N 464.525 5.267 30 20 JKED C[C@@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)NC3CCN(CC#N)CC3)c2C1 609329358 IQJAIJWMXXWQJM-VZFXBBDVSA-N 450.586 5.075 30 20 JKED C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1)c1ccccc1 609377939 LPFYXNMKBVUDSN-MOPGFXCFSA-N 479.627 5.230 30 20 JKED C[C@@H](Sc1ncccc1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1)C(=O)N1CCCC1 726225074 STGPTTFVEPZTPX-JOCHJYFZSA-N 499.636 5.241 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2cccs2)c1 726410117 BSZZODMBSCLZQV-QFIPXVFZSA-N 477.586 5.072 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2ccc(C)cc2)c1 726573088 LLFXRVVKDDIVQK-UHFFFAOYSA-O 459.594 6.158 30 20 JKED C[C@@H](c1cccs1)N1C(=O)/C(=C\c2cccc(OCc3cccc(C#N)c3)c2)SC1=S 726630764 XHDATZRCTRQCEN-QPNANDPSSA-N 462.621 6.161 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O)Nc1ccc(Cl)c(Cl)c1 726716833 RNIYRDXXNVIEGR-CQSZACIVSA-N 462.280 5.260 30 20 JKED CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726854884 UDRAFIMAHYJHFH-XMMPIXPASA-N 459.977 5.763 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c1 727650359 JNIJEZRHIJZHBH-RUZDIDTESA-N 498.608 5.366 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc(C2SCCCS2)cc1 727996757 MJVGTELYDRUOFV-UHFFFAOYSA-N 490.650 6.332 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 728113111 WDMNECGRUQYAIR-JOCHJYFZSA-N 492.000 5.460 30 20 JKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 728409771 SOXKVUGXLNTXOY-UWJYYQICSA-N 483.593 5.510 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1cccs1 728420234 BHCVMTPRRWLOPT-NRFANRHFSA-N 460.584 5.089 30 20 JKED CC(=O)N(c1nc(C=NNc2ccc(Br)cc2C)cs1)c1ccc(F)cc1F 728432986 MCQGCWMVVWFATD-UHFFFAOYSA-N 465.323 5.623 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C#N)c2cccc(OC)c2OC)cc1 729429331 KWLPWZFAJQAKFM-XMMPIXPASA-N 469.541 5.174 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCC3)C2=O)cc1 730461304 BFIVAMZKNMPWRQ-HXUWFJFHSA-N 452.967 5.033 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1)c1ccc2ccccc2n1 730686836 QRVKINGOCKFVDB-DFBJGRDBSA-N 475.317 6.133 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 730945068 LROQNRPSFWGILN-UUOWRZLLSA-N 470.598 5.292 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C2SCCS2)cc1 731060823 LIABKFDFTXVGHQ-OAHLLOKOSA-N 458.630 5.212 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c1C 731309549 XFRVVZBDPCMHOR-HXOBKFHXSA-N 477.586 5.194 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1F 743526852 XEBCQSKUHZYRMM-QGZVFWFLSA-N 484.380 5.048 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cc2ccccc2[nH]1 746694044 LTHSGKNMLAZOQJ-XMMPIXPASA-N 497.555 5.339 30 20 JKED CCOC(=O)COc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)c1 747062591 XXLPHOAVHHELPC-YPKPFQOOSA-N 463.917 5.430 30 20 JKED COc1ccc(/C=C(/Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)cc1OCCCC#N 747361633 SZAFHZAIZFLKGR-CPNJWEJPSA-N 477.973 6.492 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cscn3)C2=O)c1 747601083 DMBPKTWZOZHVBE-OAQYLSRUSA-N 482.606 5.368 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN(CC#N)C2CC2)c1=S 747789755 SXBBLBIDIIANDJ-DOADOZAASA-N 455.603 5.075 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 749785602 KTVSCXPUUGFBQT-HNNXBMFYSA-N 470.982 5.538 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OC(F)F 750896126 NSCXSPDFHMAWDG-ALCCZGGFSA-N 457.267 5.363 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 799212996 MFHLMKKGWLKMCN-SFHVURJKSA-N 496.803 5.249 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](C)c2ccccn2)C1=O 837543684 CKJQOLZNPGLBRH-NTKDMRAZSA-N 488.613 5.592 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3cccnc3)C2=O)c1 837826539 LNVRPXROVJYCHK-WZONZLPQSA-N 493.032 6.073 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)cc1 837916149 AHGJWZJBKDUKEY-XMMPIXPASA-N 496.652 5.221 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 839414395 GGGBVBFKKCJANG-UHFFFAOYSA-N 474.586 5.314 30 20 JKED Cc1cc(Br)c(NC(=O)CON=Cc2ccccc2OC(F)F)c(Br)c1 849613120 CVCBFXPHGAPDFZ-UHFFFAOYSA-N 492.114 5.111 30 20 JKED Cc1nc(SCC(=O)O[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)c(C#N)c(C)c1C 856692821 MNONNFWGUWGGDL-FQEVSTJZSA-N 473.598 5.132 30 20 JKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 857495346 XLBVPFWTRWDJPM-UHFFFAOYSA-N 469.328 5.006 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1nc(-c2ccccc2)cs1 913203287 IRADKIBDYAVVGU-INIZCTEOSA-N 452.948 5.482 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1 914547387 NSOAUBCMUJMJBP-VGSWGCGISA-N 479.005 5.134 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 914692054 UCVMKLQRIDNORP-BTYIYWSLSA-N 469.513 5.149 30 20 JKED Cc1c(Cl)c(COC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc2ccccc12 914955645 AYUAVMFYIKHIAK-UHFFFAOYSA-N 476.920 5.276 30 20 JKED N#C[C@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nnc2n1CCCCC2 915101186 RBIBEBFYMDQEPY-NFBKMPQASA-N 450.995 5.357 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102959 LWVOKGWXEMZSNO-DWRSBUCASA-N 471.626 5.751 30 20 JKED N#C[C@H](C(=O)COc1cccc(NC(=O)C2CC2)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103637 ZYHCKOUOIAMGCI-DHOLJGENSA-N 475.614 5.215 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)[C@H]1c1ccccc1OC 915104161 MIOSSNBWWLRHJA-AXHZCLLHSA-N 494.542 5.396 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 915780750 CWLMRDMOLJHCKK-ABSDTBQOSA-N 497.439 5.306 30 20 JKED COc1ccc(CN2C(=O)/C(=C/c3cn(CCC#N)c4ccccc34)c3ccccc3C2=O)cc1 915851940 GHNVWVIXOVMWRH-YZSQISJMSA-N 461.521 5.287 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2csc(-c3ccccn3)n2)C(=O)c2ccccc2)c(Cl)c1 915988594 WXGWFEOVZLVZEI-XSFVSMFZSA-N 473.985 6.380 30 20 JKED CC1(C)C[C@H](NC(=S)Nc2ccccc2C#N)C[C@@](C)(CNC(=S)Nc2ccccc2C#N)C1 915995801 YNJQTPACZBEHAS-RXFWQSSRSA-N 490.702 5.288 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 916134354 OPTYIMMLYVDSHG-WUXMJOGZSA-N 465.933 5.579 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C[C@H]1CCCO1 916215208 FKDHOSKGXKBCMH-OXQOHEQNSA-N 491.535 5.153 30 20 JKED COc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)ccc1OC(F)F 916273381 ZVZOTFZXNAKWNY-UHFFFAOYSA-N 475.904 5.579 30 20 JKED C=CCn1c(SCC(=O)NCc2cccc(OC(C)C)c2)nnc1-c1ccc(Cl)cc1Cl 916492172 ZRUCXYUCZSWFPF-UHFFFAOYSA-N 491.444 5.634 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916628454 SRMOCYNHPTYOHW-GOSISDBHSA-N 483.387 5.729 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(SC(F)F)cc1 916887585 PNZUZQSUHFLWEQ-HNNXBMFYSA-N 494.932 5.144 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 916902762 HEMCJOHNLUAYSX-LJQANCHMSA-N 451.473 5.025 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 916914812 VLRCTTXORRJFQF-JXFKEZNVSA-N 490.629 5.144 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1 916949509 ORZSWOSWRVDVBK-FODJJAHYSA-N 481.552 5.103 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCCCCC3)cc2)cs1 917558915 AHNHYAUPNHVIKU-GDNBJRDFSA-N 480.033 6.758 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C)c1 917664733 NZMRNARPILIHBW-DEOSSOPVSA-N 491.588 5.441 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CCc3ccccc3)C2=O)c1 917704325 YDMSHVSYWZUSMI-VWLOTQADSA-N 482.609 5.378 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 917804118 LGDCHCSUMRKLLG-UHFFFAOYSA-N 470.960 5.791 30 20 JKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccn1C 918052338 CPKLOEYAVNNKIV-XMMPIXPASA-N 487.947 5.657 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 919652309 CKFVBNIBPBHRLH-ZHALLVOQSA-N 455.402 5.937 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)n2)cc1 920143456 PTZKNWVQRROARE-KXBFYZLASA-N 481.364 5.218 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)n1 920327528 IPWDTCINNVUYFZ-IBGZPJMESA-N 461.518 5.416 30 20 JKED COc1ccccc1Nc1nc(Cl)c(C=NNc2ccccc2S(=O)(=O)NC(C)(C)C)s1 920376842 VHKLSUJAKQBUSP-UHFFFAOYSA-N 494.042 5.072 30 20 JKED N#C[C@@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 920804541 UUBUQOIPFVYLFD-NIFLVVHWSA-N 466.509 6.706 30 20 JKED COc1cc(COC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OC(F)F 920839148 CFLNSILTVFJKDQ-UHFFFAOYSA-N 455.461 5.048 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(OC)c1 920867859 HPAWBAHSKLBGMI-HOYKHHGWSA-N 491.613 5.091 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 928974288 KJNZDSDRGSZPBD-SFHVURJKSA-N 481.499 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C(C)(C)C)s1)C2 1779510327 DOJLAVRVHLVRAP-FQRUVTKNSA-N 460.684 5.166 30 20 JKED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)CCCCCCCCCc3ccccc3)C2)C1 1785504294 KJKCVGPEUCOIHC-NDEPHWFRSA-N 486.722 5.099 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/Sc3ccc(C)cc3)CCC2)cc1 1786367006 OZAAPOWDFQAHRX-HMMYKYKNSA-N 464.631 5.718 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1786373942 SWWWLVGYGRFBTB-KRWDZBQOSA-N 463.965 5.227 30 20 JKED COc1ccc(C(=O)CCC(=O)Nc2ccc(C3(NC(=O)c4cc(C)cc(C#N)c4)CCC3)cc2)cc1 1787692141 FHQSKPNZQPQYKD-UHFFFAOYSA-N 495.579 5.286 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccccc3)cc2)CCC1)NC(=O)OC(C)(C)C 1787745734 KBUVKZMGXHWCLL-DEOSSOPVSA-N 491.632 5.223 30 20 JKED CCc1c(Br)cccc1C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787889200 NSQWYBWALNLOEM-UHFFFAOYSA-N 454.368 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3nc(C)oc3C(F)(F)F)cc2)CCC1 1788616867 RGVAIDQQAFJITQ-UHFFFAOYSA-N 463.500 5.742 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1789513300 YPUOLTQCDWKYBW-STBIYBPSSA-N 477.996 5.041 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)C#CC3(O)CCCCC3)cc2)CCC1 1789541178 AGCIYLQADBBCSP-UHFFFAOYSA-N 497.595 5.096 30 20 JKED Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1789841268 PVCYZYGCDCQJNO-UHFFFAOYSA-N 487.991 5.182 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)CCC3)cc2)c1 1790257271 QIPXRYHZTWPAHH-SDHOMARFSA-N 465.578 5.194 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)ccc1F 1790521189 PWHNLQMXDNVYDT-UHFFFAOYSA-N 494.526 5.343 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)ON=C(C)C)cc3)CCC2)cc(C(F)(F)F)c1 1790568141 SUYODRKJQLTXFT-INIZCTEOSA-N 491.510 5.263 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)c2c1 1790706684 PMJKRMBLUAGEBZ-UHFFFAOYSA-N 478.552 5.304 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H](c3ccccc3Cl)N(C)C)cc2)CCC1 1791129890 HDPRBRIYLIQAFI-VWLOTQADSA-N 484.040 5.060 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791407451 HLNIYPXDQPBGNJ-ZLIGTFTASA-N 493.648 5.146 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@]34CCN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791422846 NCDWGULGNKPEJJ-CUNXSJBXSA-N 481.637 5.124 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(Br)cnc34)CCC2)cc1 1791589111 ICDLKIRFBQIBNY-UHFFFAOYSA-N 464.363 5.321 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)Cc3ccc(C#N)cc3)c2c1 1792638924 QIJHQZIKFNFZFI-NUNAXRQHSA-N 499.611 5.006 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cc(Cl)ccc2Cl)c1 1801466294 AYUUIWAWKGPBLH-NUNAXRQHSA-N 484.427 5.069 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C2 1801639693 VDWDFWXQHXKDNK-DVWBAYGPSA-N 471.523 5.231 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)[C@H]1c1cccnc1 1802492395 MYSHPJHQLHGDIK-OZXSUGGESA-N 465.613 5.160 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1802498905 OZWMUYSGFWVRAM-YADARESESA-N 479.621 5.747 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1802501593 ZXDFJSVCMFKZCV-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)ccc3F)C2)CC1 1805126107 AYZLPZPPFZRGTG-UHFFFAOYSA-N 479.434 5.425 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Br)cc3F)C2)CC1 1805126471 AQIXXSJWHHZTFD-IBGZPJMESA-N 477.418 5.201 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(Cl)cc2)[C@H]1c1cccnc1 1806577228 MXOXUSZOBQBSJC-WNCULLNHSA-N 496.127 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(OC)cc3)CCC2)[C@@H]1c1cccnc1 1808238436 SPSZHEJZYGMVEU-OZXSUGGESA-N 489.660 5.210 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810401383 SGLRRBKBJCOISH-HSZRJFAPSA-N 481.640 5.959 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(SC)cc2)[C@H]1c1cccnc1 1810501904 DLNPBVYFLOGTGZ-RDGATRHJSA-N 465.663 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1810502647 KVDOFCQDYIXMLF-UWJYYQICSA-N 490.431 5.406 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1813838316 DELBAMRRFGQQOB-CZZAQMAHSA-N 487.003 5.304 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)sc2c1 1814378769 UHSOIJYHQWASJM-QFIPXVFZSA-N 498.612 5.138 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)cc1 1814381980 ZTJQUDCZTRSQHH-JOCHJYFZSA-N 479.943 5.013 30 20 JKED Cc1cc(Cl)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814595069 UQAJZMJONSWDAM-GAJHUEQPSA-N 475.980 5.618 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1815215085 DSJYOQATRDULCO-GBXCKJPGSA-N 497.599 5.226 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCCCC3(F)F)n[nH]2)cc1C#N 1815354179 QFCIQCAQPNCTTJ-PZJWPPBQSA-N 499.562 5.200 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)c(Cl)c1 1815983958 LTBGOBVDLPFAMO-CYXJOQHWSA-N 465.966 5.016 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)noc2C)n[nH]1 1816335685 HOELNKUJBUKEEF-UNMCSNQZSA-N 473.577 5.447 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1)C(F)(F)F 1817756453 ZAGWHTAVEKTQAO-KRWDZBQOSA-N 493.873 5.143 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)cc1 1819026657 OVPPNEIRTHNSGF-LJQANCHMSA-N 489.626 5.496 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)[nH]n1 1819307655 KDWHEJZKTKTHND-OXJNMPFZSA-N 460.500 5.503 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(OC)cc2)[nH]n1 1819552612 RTVVZLYITCEXCQ-AVRDEDQJSA-N 452.599 5.207 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCOc3ccc(Cl)cc3)[nH]n2)cc1 1820547047 LNMIQSSREGRVOM-QHCPKHFHSA-N 491.979 5.100 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821048828 SDMKNSNZLRKFJL-NTKDMRAZSA-N 489.576 5.309 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821203212 DYROEHVWULDVLV-OAHLLOKOSA-N 475.298 5.373 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)S)[nH]n1)c1ccccc1 1821758173 UBIRDERXGLPRTG-OPHFCASCSA-N 499.725 5.075 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[nH]n1 1821989619 CFHSGKCJXXTGQU-ZQAUEJBPSA-N 467.520 5.116 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)cc2Cl)n[nH]1 1822310220 VKSOFWNOTINNIE-VOIFRGJBSA-N 468.985 5.243 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[nH]n1 1822389990 XKKGPIFHKLOAAE-QFIPXVFZSA-N 491.979 5.360 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1)c1ccc(O)cc1 1822466466 DXFALWIXSXZKBO-YBZFOXLFSA-N 474.605 5.051 30 20 JKED Cc1cccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1823126862 ZMWKAZXVUAVACP-VGOFRKELSA-N 459.525 5.104 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(OCC)c(Cl)c3)CC2)C1 1823701897 RTPUTCMMHMNUNG-QFIPXVFZSA-N 462.993 5.077 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Sc2ccccc2)CC1 1824389358 LTPOZSBXXKMCFC-GPUOULLFSA-N 454.680 5.555 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1824539269 VBYTVECLHMLRAG-FGZHOGPDSA-N 495.611 5.374 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)CC1 1824774345 SBOHANQSFIZJRU-AREMUKBSSA-N 461.650 5.389 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1826317675 XQSYPKIRDCGXKY-RRPNLBNLSA-N 457.618 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)CC1 1827515371 LOXAATNSNDUZIZ-NOZRDPDXSA-N 464.650 5.402 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684111 VWMLQMIINZTTDB-JHUUHBRDSA-N 494.657 5.209 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)oc2ccccc12 1828127838 NAUKGOCOQVAXDR-XMMPIXPASA-N 473.548 5.299 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321638 UIZGQXNSPKEOQR-REWPJTCUSA-N 489.081 5.361 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C)cc(C#N)c4)CC3)cc2c1 1828524665 AEWZWBBBXBDKQZ-RUZDIDTESA-N 485.584 5.169 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc3cccnc3cc2F)CC1 1828827485 OBQQHJLKEOCOMI-SHQCIBLASA-N 477.624 5.305 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CC2)C1 1829588379 ALTGHAJKJQCUFF-HHHXNRCGSA-N 482.628 5.429 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C)c3Cl)CC2)c1 1829684467 RCJAEAKBKLQKPY-XMMPIXPASA-N 480.008 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)CC1 1829821236 BIOIEVLNCDCJLP-QHCPKHFHSA-N 456.675 5.252 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1829956786 RGYHJAWFUHRBJZ-DEOSSOPVSA-N 474.992 5.240 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)c1 1830362585 UZRINSGLFRGWEO-VWLOTQADSA-N 481.999 5.135 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830476192 HVBACLWLPQMZOH-MBSDFSHPSA-N 464.984 5.620 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 1830627377 CTKAGAMZDVFPRJ-XMMPIXPASA-N 467.972 5.092 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1830782812 FLDLHSAPBOTYMN-HHHXNRCGSA-N 487.644 5.050 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1830839215 XATFOCUWRNUWHJ-SIKLNZKXSA-N 469.029 5.218 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c(Cl)c1 1830990840 LXHVUBKGVKLWNW-DEOSSOPVSA-N 475.976 5.505 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)ccc2[nH]1 1831037093 FTTYXVTWMSGZGP-NGOKVRLYSA-N 482.628 5.651 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059408 MJBRXFRMCMITEL-HSZRJFAPSA-N 457.574 5.369 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1831375130 NAKYCJPAYZTODH-HNAYVOBHSA-N 471.951 5.199 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](C#CC)c2ccc(O)cc2)CC1 1831924744 VDZLYJFKPZOHAT-KJYTXNCISA-N 476.661 5.277 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2cccnc2)CC1)c1ccccc1 1832339814 GWLIKFSTEBMJLK-VMPREFPWSA-N 485.672 5.221 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1 1832628863 DXVCXLRRRRMDRE-WXVAWEFUSA-N 469.629 5.279 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc(C(F)(F)F)c3)CC2)c1 1832633325 BASGYKXRDGBOMV-FDDCHVKYSA-N 498.549 5.275 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1832686852 KZBYWAPRJKSULX-OAQYLSRUSA-N 471.935 5.037 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc4ccoc4c3)CC2)CC1 1838390818 MAODWDPQIQNMHU-UHFFFAOYSA-N 494.708 5.096 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)CC1 1838424035 FSYCGQXSYSTQCQ-MXVIHJGJSA-N 486.619 5.346 30 20 JKED C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2c(Br)cccc2-c2ccccc2)C1 1844725018 ZIRDGIWFJYKRAT-GOSISDBHSA-N 467.407 5.145 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)o2)cc1 8804011 DMRGILUSYVQQGU-UHFFFAOYSA-N 497.967 6.208 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 10355353 SSJSUKKSTQJCIW-SANMLTNESA-N 466.610 5.832 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11114386 YAZXTSZMJVLJLK-UHFFFAOYSA-O 477.647 6.580 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccccc2C(F)(F)F)cc1 11158213 FZNAXUPTQDEFQV-UHFFFAOYSA-O 459.513 5.615 30 20 JKED N#CCC[C@H](C#N)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F 15237281 XHODCKCOZDLHOI-CQSZACIVSA-N 461.900 6.142 30 20 JKED COc1ccc(-c2nc(C)c(/C(O)=N/c3nnc(SCc4ccccc4)s3)s2)cc1 21954527 OSSUJRKRDZCSES-UHFFFAOYSA-N 454.602 5.907 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cc(C)ccc2C)cc1 22729821 YSTOYOUAHZVCKH-UHFFFAOYSA-O 451.681 6.915 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccc(OC)cc1 23998166 ZKXTWOOAJSSZOX-RBUKOAKNSA-N 472.614 5.651 30 20 JKED C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1[C@H]1COc2ccccc2O1 24047765 WJEUTLVCPMYMBI-HXUWFJFHSA-N 466.950 5.577 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2sc(C)c(C)c2c1=O 28424674 FSZZQXUMHZKPPT-UHFFFAOYSA-N 469.676 6.238 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 60021095 AQNRADCIBCDJLS-UHFFFAOYSA-N 468.626 5.494 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1 109137550 GJWCOILBHXLSME-UHFFFAOYSA-N 478.346 5.636 30 20 JKED Cc1cc(N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)nc(C(C)C)n1 303217392 TXVHPXBQLAMUDQ-UHFFFAOYSA-N 484.604 5.022 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC1 409778340 ZNTLQFOUNJFBEU-UHFFFAOYSA-N 495.530 5.016 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccc(Cl)cc1 409810936 JNVWLSHDCXHJRT-UHFFFAOYSA-N 458.012 5.355 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)o1 480895835 LUYXWVFHOZYOOD-UZUQRXQVSA-N 487.531 5.122 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 500980115 CXEJYKROUONVLO-HSZRJFAPSA-N 465.022 5.214 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Br)ccc3Cl)c2)cc1 501466297 IJBJYOCDGRELDI-UHFFFAOYSA-N 455.739 6.000 30 20 JKED C[C@@H](Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1)C(=O)N(C)CCC#N 501494172 FVUGECSXRDYALW-MRXNPFEDSA-N 494.587 5.267 30 20 JKED C=CCN(Cc1cccs1)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 503695518 KPVPIDNIRSUBDE-HSZRJFAPSA-N 475.614 5.776 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 505279890 RIPSXWFWNHOVTR-UHFFFAOYSA-N 459.546 5.339 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 507909337 QVAGDZPDYFNXEX-UHFFFAOYSA-N 457.364 5.452 30 20 JKED C=CCn1c(SCc2nc3ccccc3n(C)c2=O)nc2sc(-c3ccccc3)c(C)c2c1=O 508721600 QEXJHPGDIXQTPY-UHFFFAOYSA-N 486.622 5.159 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510090652 RYDKVXYRACTIBU-GFCCVEGCSA-N 478.430 6.234 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 512350618 RVLSICJTZYQRKA-UHFFFAOYSA-N 476.536 6.342 30 20 JKED Cn1c([C@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)nc2ccccc21 513681709 IBHJHWGRRNUHQQ-GOSISDBHSA-N 474.446 5.059 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1nc2ccccc2s1 513687355 RAAPNLJQKPRLAN-QGZVFWFLSA-N 463.356 6.128 30 20 JKED CCOc1ccc([C@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OCC 514502534 ADVFRNIZAFCLJK-INIZCTEOSA-N 450.564 5.286 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1 514566313 JPUSLLCKSIPMDL-UHFFFAOYSA-N 455.411 5.540 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccccc5)cs4)cc3)o2)c1 515542245 OIYXYBTVWDWPCB-QFIPXVFZSA-N 462.534 6.326 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1ccc(Br)cc1 516270229 QERHUZORINCMND-IBGZPJMESA-N 488.370 5.428 30 20 JKED N#C[C@@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1ccc(OCc2ccccc2)cc1 517849689 ZHRYFRNPMLWESW-HSZRJFAPSA-N 457.917 5.227 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OC(C)C 517852819 CKGJKBRZTYGBEO-LJQANCHMSA-N 487.556 5.271 30 20 JKED Cc1cc(C)c(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Cl)c1 518147232 FKADETMDXHPCPC-AWEZNQCLSA-N 455.933 6.421 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(COCc3ccco3)c2)cc1 518840353 AIGUQPSWNKHFMW-UHFFFAOYSA-N 454.551 6.413 30 20 JKED CCOc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](C#N)c4cccc(Cl)c4Cl)cc3C2=O)cc1 519485134 GWBCTOKXAKSIHA-NRFANRHFSA-N 494.334 5.187 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 519485296 RPRJULMZGVHJKQ-MRUHUIDDSA-N 474.388 5.156 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccccn4)c3)cc2)cc1 520597783 FHLUNIBKPQXDEU-UHFFFAOYSA-N 463.497 5.320 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 523230337 XWUCCLYHCOYEQO-KRWDZBQOSA-N 480.496 6.314 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3c(Br)cccc3C2)cc1 523688774 QKABTHPFMSWHHT-UHFFFAOYSA-N 476.374 5.684 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Cl 553024572 UQFZATNSBPGKEE-UHFFFAOYSA-N 477.996 5.468 30 20 JKED N#Cc1cccc(COc2cccc(CNC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)c1 603682083 DDJQSEKAUUCYIR-RTBURBONSA-N 456.430 6.136 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 603802582 GAJDWAROYMTPCR-VWLOTQADSA-N 493.523 5.174 30 20 JKED C=CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603948093 ZFZCTYMOYKAJMM-UHFFFAOYSA-N 486.509 5.595 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 604087210 WLYDMFHCFUVZEK-UHFFFAOYSA-N 451.530 5.947 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)cc2Cl)cc1 604193579 ZWDJZNQHRLXJRK-UHFFFAOYSA-N 461.934 5.667 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3cc(Cl)ccc3Sc3ccccc3)CC2)nc1 608992672 IUABUCXMZCVYJZ-UHFFFAOYSA-N 463.994 5.548 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 609062113 XZMDGYBDGKOQBF-UHFFFAOYSA-N 486.616 5.042 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 609078688 IFEJACDBDOVNIQ-VWLOTQADSA-N 453.546 5.841 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1ccc2ccccc2n1 613292742 UIYIGIIKSNGOFT-HXUWFJFHSA-N 471.358 5.552 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 615503259 HXBTWFZHFJYZOK-UHFFFAOYSA-N 483.490 6.186 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 642051090 YJTJPQMBSVCUNM-MRXNPFEDSA-N 456.999 5.105 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)c(OC)c1 642480485 XQCPPMNVPKYGKI-UHFFFAOYSA-N 476.598 5.585 30 20 JKED C=CCn1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nnc1-c1ccccc1F 645077555 JAJWWILIKCOWTC-UHFFFAOYSA-N 471.867 5.068 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726403264 JOTSLLFOENBVRD-NRFANRHFSA-N 484.025 5.038 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cc3ccccc3o2)cc1 726412916 UZPMXTIWPQHKPO-QHCPKHFHSA-N 477.586 5.020 30 20 JKED COc1ccccc1-c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)no1 727999672 NUMNZKWGGZJXPI-UHFFFAOYSA-N 459.889 5.707 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc2c(c1)OCCO2 728062996 ZIZKHVLHEVSCAG-MRXNPFEDSA-N 463.921 5.001 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc4c(cc3Br)OCCO4)c2)cc1 728459244 UFMRKSACAXTAKU-UHFFFAOYSA-N 451.276 5.137 30 20 JKED CCCCc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)[n+]2cccc(C)c2)cc1 728556515 NNILLLHNPIWEAK-UHFFFAOYSA-O 496.678 5.132 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 729142332 KGCKQEZVUHULIC-OAQYLSRUSA-N 496.633 5.875 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3scnc3C)C2=O)cc1 729143893 SJJDSKVALKSOJD-HXUWFJFHSA-N 464.616 5.229 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 729634402 LSNVOARFZLUQKV-NRFANRHFSA-N 482.968 5.343 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CCC2)c1 730458545 AKRIAAVYSDATFX-HSZRJFAPSA-N 459.571 5.361 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CCC2)cc1 730462466 YLGPLNMKBCZKDM-IBGZPJMESA-N 472.408 5.270 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3cocn3)C2=O)cc1 730710761 RHZIAFUWWQUUCR-XMMPIXPASA-N 499.596 5.054 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2Cc2cocn2)c1 730725301 RWYHEWXLGGMNGO-HXUWFJFHSA-N 499.379 5.123 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cocn2)c1 730727625 SYRKUTBQTSAFBL-NRFANRHFSA-N 466.538 5.098 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944236 UHCSIZSPHZSRKB-WMZHIEFXSA-N 458.587 5.420 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 730952077 LBTHJFUGIYEMNM-CYBMUJFWSA-N 493.104 6.299 30 20 JKED C#CCOc1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 731040377 GKFSUYBYDHZWIH-QFIPXVFZSA-N 480.318 5.161 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)s1 731065650 JWDQLAADUCSJJR-CQSZACIVSA-N 471.629 5.156 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731304771 ASHIEOYSTBCFOU-YCRPNKLZSA-N 483.977 5.230 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2Cl)s1 731305493 DNYAMNOEBLJKJA-FQEVSTJZSA-N 486.018 5.576 30 20 JKED CCOc1cc(/C=C/C(=O)c2scnc2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 745626944 WLPIYRWUUDUMOP-VQHVLOKHSA-N 490.503 5.783 30 20 JKED O=[N+]([O-])c1ccccc1-c1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)o1 745988981 OCEBRFDBQJJVEJ-UHFFFAOYSA-N 470.308 5.047 30 20 JKED N#Cc1ccccc1N1CCC(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CC1 747336655 IJCZZXBSSBYMQE-UHFFFAOYSA-N 466.560 5.563 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cscn1 747601737 GTCCFCDLGXZVRQ-FQEVSTJZSA-N 468.579 5.005 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cscn2)c1 747602175 YNBSOSFBJDBBAY-IBGZPJMESA-N 471.007 5.265 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(CCc3nccs3)C2=O)cc1 747603815 VGLDQWIVSITHAR-FQEVSTJZSA-N 482.606 5.102 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC)CCC(F)(F)F)c1 748184858 WLLCXSRISLAPHB-UHFFFAOYSA-N 474.932 5.136 30 20 JKED C=CCN(C(=O)COC(=O)c1cnc(C)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 748883448 JYVVTAVSJQSPJO-UHFFFAOYSA-N 468.387 5.258 30 20 JKED CCC(C)(C)C1C/C(=C/c2cnc3c(c2)c(C)nn3C)C(=O)/C(=C/c2cnc3c(c2)c(C)nn3C)C1 750899607 JMKLYMDCWOXCNQ-CHQRTDLRSA-N 482.632 5.749 30 20 JKED COc1cccc([C@H](CNC(=O)/C=C/c2ccccc2C#N)c2c[nH]c3ccccc23)c1OC 799926162 XYGDZMNSLGIOAG-ZXYASIKESA-N 451.526 5.018 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccccn2)c1 837356043 LYNMFHXJZHOSJO-NRFANRHFSA-N 498.967 5.043 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 837672561 GOZWXYFAGWWGAX-IERDGZPVSA-N 496.539 5.405 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@H](C)c3ccccn3)C2=O)c1 837886089 IQMSNBZCGQSJIT-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(O)(c2c(F)cccc2F)CC1 857489493 AOXCINCZRACEJG-UHFFFAOYSA-N 453.329 5.126 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)sc2n1 915085802 CIKRNQRDQUMHFZ-IBGZPJMESA-N 458.543 5.063 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 915086106 HCPSRJXGJRCEDJ-AREMUKBSSA-N 473.532 5.510 30 20 JKED Cc1ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1NC(=O)c1ccccc1F 915515069 MSGWRXIZVSLWNN-GOSISDBHSA-N 491.494 5.018 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915729197 GSTCPTJELHKZCE-NSOVKSMOSA-N 475.548 5.195 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(C(C)C)cc1 916205730 JTXYKKXYYNHLNB-HSZRJFAPSA-N 481.618 5.009 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916848061 ZVFVZMVHZFNYTE-FQEVSTJZSA-N 469.566 5.122 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(SC(F)F)cc1 916886612 HRVOMMGPGGYBCY-HYJLXUOHSA-N 456.392 5.261 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COc1ccc(C2SCCCS2)cc1 916903891 UBTRCHWZOZTUFR-NRFANRHFSA-N 468.644 5.406 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927788 NXSRKAZOGRDVRH-INIZCTEOSA-N 481.426 5.588 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997253 UKHKSQZWKFJYRB-XHDPSFHLSA-N 492.334 5.624 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)ccc1OC(=O)c1ccccc1F 917644536 GWFDTSNLOSOANP-LPYMAVHISA-N 490.537 5.331 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cccc(C)n3)C2=O)c1 917663657 VXMQPXXMNUXHKC-HSZRJFAPSA-N 476.577 5.306 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cccc(C)n3)C2=O)c1 917671015 HSRTXDFBNYMDRI-XMMPIXPASA-N 488.613 5.176 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)c4scnc4C)c3C#N)C(C)(C)C2)o1 919164766 RZPIPWXUAPAVKK-VURMDHGXSA-N 493.610 5.860 30 20 JKED C=CCN(C(=O)COC(=O)c1cncnc1C(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919392864 OGGPOCPSVZEIGA-UHFFFAOYSA-N 491.400 5.406 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)n2)cc1 920143592 YGLRKUCKPNNEMG-IBGZPJMESA-N 460.971 5.878 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cccs2)C1=O 920176264 QXKKIGZJVGDBIO-QHCPKHFHSA-N 491.638 5.406 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)NC1CCN(Cc2ccccc2)CC1 920311621 JFOMRYGJQQPGRZ-UHFFFAOYSA-N 456.615 5.610 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2c(C)noc2C)c1 920354098 YVJFCESGWRRAAZ-RUZDIDTESA-N 498.608 5.914 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920357336 XPPAAZCUIVMPNX-NRFANRHFSA-N 482.993 5.414 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 920490087 ISSSSQFZIHQRDO-UHFFFAOYSA-N 485.590 5.430 30 20 JKED CON=Cc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)cc1 920491844 WIJMACUNAZZXRT-UHFFFAOYSA-N 477.464 5.184 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(-c3ccc(C)cc3)c1)C2 1779508543 HSRMYFVABYEKAE-VAVYLYDRSA-N 477.649 5.110 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ncc(Cl)cc3Cl)cc2)CCC1 1785787871 UAPNYOFLYXAPMZ-SFHVURJKSA-N 452.407 5.091 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C3(CNC(=O)OC(C)(C)C)CC3)cc2)CCC1 1785874487 XLBKUGAZOXICSR-UHFFFAOYSA-N 481.637 5.194 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)c(F)c1 1785881767 LXZLJGPLFFRPDB-UHFFFAOYSA-N 485.559 5.015 30 20 JKED CC(C)[C@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)NCCC#N)CCC2)cc1)c1ccc(Cl)cc1 1786184775 PBELOPSBZBXOBD-DEOSSOPVSA-N 495.067 5.496 30 20 JKED COc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1787756607 AWQPOMMZOBCHJS-FQEVSTJZSA-N 467.569 5.313 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)cc2)CCC1 1789106313 QXMWZOIQQFMJJH-PUHATCMVSA-N 499.627 5.236 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccn5nccc5c4)cc3)CCC2)cc1C#N 1789385084 JQESJLUPJASYRW-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1789455401 RNYBMUKNDOIHCH-UEVCKROQSA-N 481.637 5.192 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789995353 MAVKMPBTSRKMNQ-QHCPKHFHSA-N 497.595 5.749 30 20 JKED COc1cccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)c12 1790258600 BQPPKOLDXZSBIW-UHFFFAOYSA-N 464.525 5.110 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C(F)(F)F)CCC2)cc1 1790565030 IQRQATGBYPJPFZ-HNNXBMFYSA-N 465.472 5.155 30 20 JKED COc1cc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(F)c1 1790676746 QRAVTHCKKGRSAX-UHFFFAOYSA-N 475.495 5.101 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)CCC3)cc2)c1 1790764184 ZULZPHDXWZLJPH-SDHOMARFSA-N 483.568 5.333 30 20 JKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1O 1790773997 IPNQTJOOXGOURY-IBGZPJMESA-N 483.568 5.479 30 20 JKED Cc1cc(C)c(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)c1 1790816523 FFQMKTYLXGSXSE-UHFFFAOYSA-N 490.604 5.702 30 20 JKED C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1791500637 XTDGRNWUSWTXIQ-HXUWFJFHSA-N 499.728 5.085 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CC(C)(C)C3)cc2)CCC1 1791647345 DHQGGXSUQDRXJK-OAQYLSRUSA-N 469.626 5.026 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CCCC#C)NC(=O)OC(C)(C)C)CCC2)cc1 1791730521 MLKYJSFFWIKRLF-XMMPIXPASA-N 493.648 5.011 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4ccccc4C(F)(F)F)CCC3)cc2)CCC1 1792229727 WKLCHDBLXVROAG-UHFFFAOYSA-N 455.480 5.076 30 20 JKED CC(C)(C)OC(=O)NCCCCCCC(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792234464 VVGKMYWRUFFKOX-UHFFFAOYSA-N 496.652 5.290 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4cc[nH]c34)CCC2)cc1 1792263958 NTQMBOSBEDAUJJ-UHFFFAOYSA-N 464.363 5.092 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCc2ccc(C(F)(F)F)cc2)cc1 1793513005 OOLUIKTYCQBGCS-QEIWAGNOSA-N 497.561 5.171 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)c(C#N)c1)C2)c1ccccc1 1795574268 HGHZTABKQHFLBW-ZGKUFBCWSA-N 487.644 5.427 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCCCC(F)(F)F)cc1)C2 1798340084 LMUBYIWWLRSZJS-KGSLCBSSSA-N 478.555 5.428 30 20 JKED C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1)c1ccccc1 1800743461 PIUCFIWFRKEZEM-YWQVJIEVSA-N 469.507 5.023 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccccc3c1Br)C2 1801643089 BQACBARPTGSJDF-KANFNMMFSA-N 455.396 5.066 30 20 JKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1802315173 LGNCHHOLLLYELF-SYJHRWSASA-N 463.597 5.252 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1Cl 1802733222 WYVABPASDLYVKJ-HYBUGGRVSA-N 493.394 5.202 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@H](c3ccccc3)C(C)C)[C@H]2c2cccnc2)c1 1803228290 VCRDKKNLRLQTBF-FPNNDXFKSA-N 480.612 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c[nH]c4cc(Cl)ccc24)C3)c1 1803680177 XKVKVAJTAUCRQA-HUJKARHJSA-N 460.965 5.014 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc5cc(Br)ccc5s4)CC3)C2)C1 1804780664 PMNHGRCTPMSELP-UHFFFAOYSA-N 487.463 5.475 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1810168397 INGZNHXNRPTCAX-YIOBJHAYSA-N 482.628 5.473 30 20 JKED CCn1c2ccccc2c2cc(C(=O)NC[C@@H]3CCN(C(=O)C(C)(C)C#N)[C@@H]3c3cccnc3)ccc21 1811427003 CPFFOYIOKBUZSX-WXVAWEFUSA-N 493.611 5.079 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4cccc(F)c4s3)[C@H]2c2cccnc2)c1 1811935423 AEYBFNDZQHBQLN-OFVILXPXSA-N 498.583 5.249 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1812951545 FTJRCEAQTCSEDD-XTEPFMGCSA-N 491.701 5.488 30 20 JKED CC1(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CCCCC1 1813001503 CNUBJWTUTIEHKA-NOZRDPDXSA-N 467.730 5.109 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c1 1814739180 OBFYIABZNBQIMC-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4cccc(F)c4)CC3)n[nH]2)c1 1815621853 YESPDLVZLUXMGY-HOYKHHGWSA-N 485.563 5.214 30 20 JKED Cc1cscc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1818240606 FGVABLPXCCYMLI-HXUWFJFHSA-N 456.688 5.137 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818630653 UMRCFOFLVSUREK-NRFANRHFSA-N 476.653 5.513 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)n[nH]2)c1 1818930942 FFYIFFXGZLIEBR-VDEHWKIFSA-N 459.594 5.194 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)[nH]n1 1819305005 BJLJPHKUCXFORH-NZQKXSOJSA-N 460.578 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(-c3cccnc3)cc1)CC2 1819602995 HWUVZRQXWYXRKV-FCHUYYIVSA-N 472.614 5.199 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ncsc34)[nH]n2)c1Cl 1820219739 WQKLIYYVZYTMAI-LJQANCHMSA-N 490.976 5.164 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@](C)(OC)c2cccc3ccccc23)n[nH]1 1820705245 XEDZCPKRYOGYSU-WJPVBLRZSA-N 474.605 5.329 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)cc12 1823215625 YKSUOOJJNOMDEY-AVRWGWEMSA-N 480.572 5.446 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(Br)cccc4c3)CC2)C1 1823700146 HCJRMMRBJVRIGQ-RUZDIDTESA-N 495.461 5.802 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 1823704535 KQKMTTQWZUQJJB-HXUWFJFHSA-N 469.840 5.846 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2Br)CC1 1823753091 UQZCISHBXPUPPH-LJQANCHMSA-N 465.432 5.268 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1F 1823903680 CRSYOQLTMGNXMV-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1824500166 VFAYJCNGEJYQQA-XMMPIXPASA-N 499.051 5.816 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)[nH]c2c(Cl)cccc12 1824540070 SUDFCMLVDKJALS-NFBKMPQASA-N 476.086 5.317 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824640928 GQSOELIDSPJWBI-BURHJUHKSA-N 496.690 5.390 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1824850858 RJXRXWSUDLFXLV-VGSWGCGISA-N 468.535 5.219 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2Br)CC1 1824962242 GIXBDIRNYILUAW-IBGZPJMESA-N 499.902 5.255 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1826192292 FUIXACQIRNCDRH-OAQYLSRUSA-N 485.415 5.116 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827362987 PYZCJEPOXNUOLC-FNZWTVRRSA-N 487.669 5.453 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4ccoc4s2)CC3)c1 1827693700 RXUCOEREYAFUOU-SUMWQHHRSA-N 476.583 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccc(C)cc2)CC1 1828824977 QWRBBMHWPNRQNF-CLJLJLNGSA-N 452.639 5.152 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2noc(-c3ccccc3)n2)CC1 1828826874 DOKDRVUUIMXZKD-RPBOFIJWSA-N 490.648 5.057 30 20 JKED CCCCCc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)c1 1828999482 SRHFARNCHBWITE-QOKVKHORSA-N 491.676 5.294 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccccc3o2)CC1)c1ccccc1 1829034625 AWQZCVGKFGJKBC-AHWVRZQESA-N 483.612 5.258 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4c(Cl)c3OC)CC2)C1 1829707930 JMJBYHGNHRVIRU-DEOSSOPVSA-N 481.036 5.701 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830417387 XCSQGUAQJKBXIR-CVDCTZTESA-N 492.060 5.161 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSc3ccccc3)CC2)c(Cl)c1 1830721403 JHJRRBTXYZVLQO-XMMPIXPASA-N 482.049 5.237 30 20 JKED CCCc1onc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721602 JWEHFBWZIATTGX-JOCHJYFZSA-N 483.012 5.008 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1830769651 UYCRHOSSKMBHBC-AREMUKBSSA-N 477.725 5.151 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1831201256 WWSZWALNRKJKIG-AIGGKHBYSA-N 499.655 5.659 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1831371319 UFGFLZFQGFAPCI-XXBNENTESA-N 451.636 5.256 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1832029665 LMEJGOZLFRERHA-RUZDIDTESA-N 485.628 5.855 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)CC1 1832552327 JMXWEYCTOSOWOD-HSZRJFAPSA-N 461.046 5.574 30 20 JKED O=C(c1cc(F)cc(F)c1F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C1 1844697655 PTFQFLCFEAELRX-UHFFFAOYSA-N 494.794 5.046 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2cccc(C)c2C)cc1 10168338 UNECBQJAOMUBCL-UHFFFAOYSA-O 492.665 5.716 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccc(NC(=O)c3cccs3)cc2)ccc1Cl 11063078 HIBFAFGYOXPPKA-UHFFFAOYSA-N 481.961 5.066 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 11128871 HVTQCHJWOCKAOA-UHFFFAOYSA-O 480.482 5.388 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)OCc2nc3ccccc3n2C(F)F)c1 14901710 FLVGGBBMJVAUSK-UHFFFAOYSA-N 492.507 5.391 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2cccc(Br)c2)c1 15247710 MTTPJRXEHHDCNM-UHFFFAOYSA-O 482.467 6.393 30 20 JKED Cc1cccc(OCc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)c1 16628960 YJSCJSVJSCWREM-UHFFFAOYSA-N 479.606 5.483 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nnc1-c1cccnc1 18405541 AIPMACOEDRZSLE-UHFFFAOYSA-N 476.631 5.576 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2sc(-c3ccccc3)cc2c1=O 20788678 KOHMBLXVJUSXFC-UHFFFAOYSA-N 477.611 5.359 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(-c3ccccc3Cl)n2)n(C2CCCC2)c1C 21493873 UBXCYUXZQMIZBI-UHFFFAOYSA-N 497.020 5.593 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 23518322 HJNFDLYRYJINRL-CYBMUJFWSA-N 487.557 5.050 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 23602885 NZDMJQYJBQUZTJ-UHFFFAOYSA-O 474.622 6.237 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1[C@H]1COc2ccccc2O1 30547336 DFIMZCBHFLFTRJ-HXUWFJFHSA-N 483.018 6.046 30 20 JKED C=CCn1c(SCc2nc(-c3ccccn3)no2)nc2sc(-c3ccccc3)c(C)c2c1=O 31846065 BASMPCXJJCYZLR-UHFFFAOYSA-N 473.583 5.357 30 20 JKED COc1ccc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)cc1OC(F)F 33080092 JCJKDNCAKYTYBJ-UHFFFAOYSA-N 454.498 5.592 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1 71973148 GURZUANAAKJGJV-YYADALCUSA-N 496.639 5.090 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@H]3c3nc(-c4ccccc4)no3)c2)cc1 303226865 UEQDDECCKHKAJD-DEOSSOPVSA-N 450.498 5.768 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1Cl 303392703 PAMJDNNXKVWOLJ-XUZZJYLKSA-N 457.961 5.486 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 478247936 BBUQWFGDFWZZEJ-UHFFFAOYSA-N 496.592 6.329 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1 482992944 XBPIRSOLBKHIEF-UHFFFAOYSA-N 473.451 5.699 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1 486021413 XRDQGKIKVVCHAD-UHFFFAOYSA-N 486.553 5.123 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)s2)c(C(F)(F)F)c1 487416087 BCQKRIFJMRMKRV-UHFFFAOYSA-N 488.516 5.311 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 493202804 RJVVWCYSWRBNPP-UHFFFAOYSA-N 487.046 5.611 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1cccc(COCc2ccccc2)c1 500878744 OQEQPQICANSHQF-UHFFFAOYSA-N 452.476 5.273 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3cccnc3Oc3ccc(Cl)cc3Cl)CC2)c(F)c1 504969470 BMQVHGBVKYJBLD-UHFFFAOYSA-N 471.319 5.154 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 508292678 OTTUGDXUOCTEKX-UHFFFAOYSA-N 472.545 5.387 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)c2C#N)C1 508777256 HLUDPGGNLBNJPP-GFCCVEGCSA-N 474.512 5.018 30 20 JKED Cc1cccc(C)c1Oc1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 509736153 QNAYWJCMJTYGLG-UHFFFAOYSA-N 482.540 6.071 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)Nc1ccccc1Cl)C(C)C 510296326 PTTAEHDJCKHNSI-NRFANRHFSA-N 491.444 6.105 30 20 JKED COc1ccc(N(Cc2ccccc2)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 512229307 YOZQVFRGOPYOFG-UHFFFAOYSA-N 482.540 5.265 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)cc1OC 512578610 SBPJCWJOQJNEEV-UHFFFAOYSA-N 477.517 5.174 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 512959181 VRNQLQPCZBCIDP-KRWDZBQOSA-N 488.352 5.369 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)nc2ccccc21 513676666 IUQTZUHYSZHUCL-IBGZPJMESA-N 463.324 5.622 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)CC1 513778408 MUHURWPUYUJTCW-UHFFFAOYSA-N 485.569 5.274 30 20 JKED CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513947720 ANVZOLBDVXIOGA-UHFFFAOYSA-N 494.592 5.008 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 516270343 UDRSGZXNHZLBRN-NRFANRHFSA-N 479.590 5.940 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(CC)s2)nnc1-c1ccc(Cl)cc1Cl 516489311 FURLNAXJDMMMCH-UHFFFAOYSA-N 467.447 5.470 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 517527034 IHZXIKUVBYVYFD-CQSZACIVSA-N 450.391 5.375 30 20 JKED Cc1ccccc1-c1cc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)n(Cc2ccccc2)n1 517888942 NQRGABAQVBDWFY-UHFFFAOYSA-N 465.557 5.067 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 518660026 DWTCXWHPWZFIOW-LLVKDONJSA-N 454.926 7.078 30 20 JKED CC(C)c1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(C(F)(F)F)cn1 519433197 WQAQYQGTCQSDJT-OAHLLOKOSA-N 473.524 5.914 30 20 JKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)o1 520194087 DXSZACKOOOXTRY-BXKMTCNYSA-N 455.514 5.197 30 20 JKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1cccc(N2CCCC2)c1 520603514 LYXDEIVSIIVCLY-IBGZPJMESA-N 469.545 5.099 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1occc1COc1cccc(C#N)c1 523274524 LFGAGJXFHQHELT-UHFFFAOYSA-N 451.482 5.543 30 20 JKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1ccccc1OC 523950478 OVSBLNFHFFAREL-UHFFFAOYSA-N 474.373 5.789 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1Cl 556301222 ZSYLOXZZUPCJOJ-RUZDIDTESA-N 495.970 5.964 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 603968556 BBWGXFVBBWJRBK-MRXNPFEDSA-N 456.493 5.556 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 604522929 YFAKHFHMJPVVKG-WNCULLNHSA-N 455.558 6.291 30 20 JKED CCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C(=O)Nc1cccc(N2CCCC2)c1 608785046 RCVGQRONWVNPFG-RUZDIDTESA-N 498.587 5.275 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 609079215 PGHGPIYUIUHOAP-UHFFFAOYSA-N 482.515 6.094 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1Cl 609163864 BDQCIDOKWZSMQZ-UXHICEINSA-N 465.887 5.265 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(Oc4cccnc4)c(F)c3)c2)cc1 609208644 CHXLPKVDHKIISW-UHFFFAOYSA-N 454.461 5.999 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H]1c1ccc(OC)cc1 609377858 HHLZRTDUAOPFKB-GSPPDTAYSA-N 479.646 5.665 30 20 JKED N#C[C@@H](NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1cccc(Cl)c1Cl 609414264 AQNCKSMWODTRIR-CYBMUJFWSA-N 450.123 5.141 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc(F)ccc1C 613428006 XNPDSIHQDJTSIP-OAHLLOKOSA-N 460.962 5.263 30 20 JKED O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618366014 VYJRWIHIIWVLOY-YUMQZZPRSA-N 461.175 5.272 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622092790 DKJTWCRVJBXYRQ-QWRGUYRKSA-N 479.234 5.639 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 623050367 BXKTXVGEQYBHAU-SFTDATJTSA-N 477.678 5.004 30 20 JKED O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 624888041 NTAOAIKQWYMKFD-UXLLHSPISA-N 476.383 5.030 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1NC(=O)c1ccco1 642282176 QZQUHJYAUMEWSN-OAHLLOKOSA-N 469.444 5.959 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1F 642298343 XAYXOXBYQSYGJF-PJXYFTJBSA-N 455.349 5.098 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 726396609 FUSHNFDJZRRDQC-BUXKBTBVSA-N 499.942 5.143 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 726396662 KFAYPFDSPBEYNG-SFHVURJKSA-N 494.400 5.133 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1Cl 726407752 AUMSFZXMENGBSU-FQEVSTJZSA-N 498.992 5.573 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc([N+](=O)[O-])c2)c1 726571974 QBOVGVOVOFZFMN-UHFFFAOYSA-O 451.915 5.039 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)n(Cc2ccco2)c1C 727220353 UFDSIAIRJUEGKE-UHFFFAOYSA-N 487.478 5.096 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cc(C)cc(C)c2)c1C 727252524 FZTLSLJSODGOJR-XMMPIXPASA-N 489.645 5.297 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)c2)cc1 727267470 VDYCZUQYTJDGAH-GHXNOFRVSA-N 475.457 5.277 30 20 JKED C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)C(=O)N(CCC#N)c1ccccc1 727896918 OBKQVXNPLGQNIU-QGZVFWFLSA-N 498.514 5.398 30 20 JKED CCOC(=O)C1C/C(=C/c2cn3cc(Cl)ccc3n2)C(=O)/C(=C\c2cn3cc(Cl)ccc3n2)C1 727975266 RPWLGPHMFPJNFW-VULZFCBJSA-N 495.366 5.298 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 728476471 PZYGNNFWHWYVDC-UHFFFAOYSA-N 473.488 5.190 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C)n1[C@@H](C)c1ccccc1 728705217 RSIPTBBJODARTR-KRWDZBQOSA-N 488.385 5.546 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 728777716 NDHSLYHGAVIZEQ-LJQANCHMSA-N 488.585 5.655 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3scnc3C)C2=O)c1 729146187 POMBERIQHNILJN-OAQYLSRUSA-N 496.633 5.676 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(C3CCC3)C2=O)c([N+](=O)[O-])c1 730460881 IAJCJFVRWVRHLV-LJQANCHMSA-N 472.954 5.069 30 20 JKED CCc1cc(NN=C(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc(-c2ccccn2)n1 730463298 AHWPRBBMIFYQHK-UHFFFAOYSA-N 486.601 5.046 30 20 JKED COc1ccc(N2C(=O)/C(=C\Nc3ccccc3SCCC#N)c3ccccc3C2=O)cc1OC 730995334 FPLWXTLMHDHTPZ-FXBPSFAMSA-N 485.565 5.350 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccc(Br)cc2)CC1 731063820 MXSKMFGMZRATNR-OAHLLOKOSA-N 473.392 5.057 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731305490 DJASMCZNTYMJEY-QVKFZJNVSA-N 483.590 5.184 30 20 JKED CCOc1cccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)c1OC(F)F 744765506 DPPSGRTVQWBYTO-UHFFFAOYSA-N 476.549 5.460 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1CCOC(C)(C)C 746697841 NFSJNPWNQWNNAJ-QFIPXVFZSA-N 483.634 5.033 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)nnc1-c1ccc(Cl)cc1 747363104 BVFUJJCPSRDLBP-ROUUACIJSA-N 498.052 5.129 30 20 JKED COc1cc(/C=C\C(=O)N[C@H](C#N)c2cccc(Br)c2)ccc1OCc1c(C)noc1C 749373973 QJUJNRLKGUTVON-IZUALYBUSA-N 496.361 5.036 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1ccccc1 750402051 XDYMCBSEDRXNAK-DYESRHJHSA-N 498.637 5.880 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 750861143 LVOGCAGWUXUTMB-KRWDZBQOSA-N 495.004 5.089 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1 751013959 KSJPBEKDRXXCBJ-UHFFFAOYSA-N 457.527 6.483 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(OCCCC(=O)O)c(Cl)c2)cc1 751270419 UQRMQSIXLOBNPG-OAQYLSRUSA-N 484.961 5.040 30 20 JKED Cc1sc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)c(C#N)c1C 811931463 IRHXTNUSKXNGIW-UHFFFAOYSA-N 463.943 5.082 30 20 JKED COc1cccc(O)c1C=Nc1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 812392539 PHSZSBADEDNWSH-UHFFFAOYSA-N 475.364 5.023 30 20 JKED C=CCc1cc(OCC)ccc1OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 822043623 UQACLDFDICBYCX-UHFFFAOYSA-N 461.480 5.290 30 20 JKED C=CCN(C(=O)/C=C/c1ccc(Cl)s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 822221671 ACWMCCDAIGSXIU-YRNVUSSQSA-N 465.021 5.161 30 20 JKED COc1ccc(-c2nc(S[C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)nc(O)c2C#N)cc1 824935526 IFBVECPPQKIMIY-VWLOTQADSA-N 496.592 5.818 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 837326703 OCDGXAXMHNXIQM-VGOFRKELSA-N 479.005 5.765 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 837449295 QWVGEWLIWMXMCY-AUSIDOKSSA-N 458.587 5.420 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](c2ccccc2)C2CC2)C1=O 837515197 OBRDTZPEWBOLDY-RSXGOPAZSA-N 485.609 5.807 30 20 JKED C#CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1OCC 844255865 PMOHLYRYLXGVMV-AQTBWJFISA-N 453.951 5.246 30 20 JKED N#C[C@@]1(c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)C[C@H]2CC[C@H]1C2 904668707 CJGDMNHNSCKXRI-VUCVNMQBSA-N 460.843 6.177 30 20 JKED CC(C)CN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)c1ccc(C#N)cc1 914510355 FOKXVHMHWVWNNG-UHFFFAOYSA-N 482.005 5.340 30 20 JKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 915353806 XRNTUAGGMOWYBQ-DNQXCXABSA-N 486.528 5.455 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c3ccccc3n2)cc1OC 916090332 YMEFHFSYJDSCTB-UHFFFAOYSA-N 476.583 5.552 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CCCC2)c1 916206070 LWUIGKWWLGYCGE-NRFANRHFSA-N 488.009 5.260 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccco3)C2=O)c1 916208188 WAHKYGCYCKPVPJ-JOCHJYFZSA-N 463.559 5.066 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2ccccn2)C1=O)Nc1ccc(F)cc1 916211153 KRLSPFHWFGPBKP-OAQYLSRUSA-N 482.968 5.077 30 20 JKED COc1ccc(Br)cc1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 916283820 VDJRZJXPDVBXAE-UHFFFAOYSA-N 454.349 5.087 30 20 JKED Cc1cc(C=Nn2c(S)nnc2-c2ccccc2Br)cc(C)c1OC(F)F 916346087 LXUFEPBHOMARCD-UHFFFAOYSA-N 453.312 5.097 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)NCc1ccccc1 916888526 YVSYRDUYKYARCM-HSZRJFAPSA-N 457.480 5.071 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1ccc(F)c(Cl)c1 916938825 OIMSFZCAHJZWID-OAHLLOKOSA-N 481.858 5.511 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916945199 SBVZDLVMHVZOAS-SFHVURJKSA-N 494.256 6.161 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cs1 917560464 ZPFJJCPKCNUWPX-XFXZXTDPSA-N 472.522 5.990 30 20 JKED C=CCOc1ccccc1CN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccc(C)c(C)c1 917613777 VRRHTESMQRHUHK-UHFFFAOYSA-N 479.580 5.325 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)cc1 917682994 OTOIMPOPHAQVPA-XMMPIXPASA-N 472.614 5.476 30 20 JKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 918710519 RXDIQMFRKHUKKC-UHFFFAOYSA-N 497.474 5.860 30 20 JKED O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(O)c(CN2CCOCC2)c1 918712057 GOLUZDHDFPHAOH-VURMDHGXSA-N 474.504 5.263 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCSc1ccc(Br)cc1 920109268 NLNYUENXEWJBFR-OAHLLOKOSA-N 481.799 5.249 30 20 JKED Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C 920143376 ZFCNAHDYSJDFDA-HXUWFJFHSA-N 469.595 5.453 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(N2CCOC2=O)cc1 920977877 PZBVFDJPBDCDNH-LJQANCHMSA-N 470.529 5.171 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)C1 1778915132 OEEAIEMDILQBSL-UFHPHHKVSA-N 498.067 5.317 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4Cl)CCC3)cc2)cc1 1785880432 HWZRHHCBYDUPQK-UHFFFAOYSA-N 483.959 5.030 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccc(F)cc4)cc3)CCC2)c(C#N)c1 1786027000 AYYMQTSLUOURQC-KAYWLYCHSA-N 497.570 5.186 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)CCC2)cc1 1786679065 ZVJLZFOWHLLPFV-UHFFFAOYSA-N 488.535 5.020 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)c(O)n1 1787173163 QAJZTENKYHBAPM-UHFFFAOYSA-N 465.937 5.214 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3C)cc2)CCC1)c1ccccc1 1787332214 HCQCYMIYVWSBJK-DEOSSOPVSA-N 455.558 5.236 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc1 1788359931 GQYZJMQNQIBZQE-UHFFFAOYSA-N 475.552 5.318 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)cc2)CCC1 1789191198 GGNYHNVWAKEOMO-AGILITTLSA-N 466.622 5.236 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)cc(Cl)c4n3)cc2)CCC1 1789370936 ONRMKIXUPPIWNV-UHFFFAOYSA-N 476.886 5.330 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cc1OC 1790083070 ZGZQPVGFVHYTDG-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)c1 1790762209 YTBDOZCTELOKRR-UHFFFAOYSA-N 483.330 5.461 30 20 JKED C#CC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)CCC2)cc1 1791212098 ZLWLHGYSEPQJLO-QFIPXVFZSA-N 496.007 5.063 30 20 JKED Cc1ccc(CSCCC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc1 1791502368 VFHJXBYMSWAYPI-UHFFFAOYSA-N 472.614 5.266 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CNc4ccccc43)CCC2)cc1)c1ccc(O)cc1 1791646291 JUUFOGSCQRNDTO-AJTFRIOCSA-N 493.607 5.233 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)C4CC5(CCC5)C4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1792039560 AKTZKSQYXIEEGO-QHCPKHFHSA-N 493.648 5.266 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1792086002 WMRUGHDYTCGHLN-UHFFFAOYSA-N 473.960 5.476 30 20 JKED CC(C)n1nccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792125392 YFSFZEBPVZDTPM-LJQANCHMSA-N 455.562 5.153 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)c(O)c(Cl)c4)CCC3)cc2)c1 1792126590 GLNDFKLESMVEQT-INIZCTEOSA-N 489.959 5.440 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Br)s3)CCC2)cc1 1792267772 VGUFRCCUDGJYMD-ACCUITESSA-N 457.393 5.071 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Br)cc2s1 1798085591 CMZBUXUFTNNQBR-MUJYYYPQSA-N 483.378 5.127 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)nc1 1799049547 PCGYUIYHWLMEOM-QEIWAGNOSA-N 473.693 5.052 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1802501090 SKDZODHMYXRPLZ-DENIHFKCSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1802503703 RVHFVLQKYPITJR-NQIIRXRSSA-N 477.527 5.314 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c[nH]c4cccc(Cl)c24)C3)cc1C#N 1803839399 QPTSHMQQPYXPKW-ACDBMABISA-N 490.991 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCc4cnc5ccccc5c4)C3)CC2)c1 1805317359 ZAIACDQBWUKAGU-QHCPKHFHSA-N 494.639 5.339 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c(Cl)c1 1808530527 PPCKNTQYNNXTDK-SAYVGIAESA-N 477.008 5.063 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1808740061 IOTUVDRMORGTSF-LBNVMWSVSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3nc4ccc(C)cc4s3)C2)CC1 1808820580 BMIQILKQGYQMEE-UHFFFAOYSA-N 451.636 5.218 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1810172751 MLXBWXHHYOJPAZ-OASJLCFRSA-N 484.600 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1810174910 QQJRLKZXPQPYGY-MZYLBHOOSA-N 487.522 5.068 30 20 JKED CC1(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CCCCC1 1810277332 OZLULCLNINCJRP-ILBGXUMGSA-N 467.730 5.109 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1810505353 RREHTDCWEDTMOB-GBXCKJPGSA-N 480.008 5.793 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)cc12 1811418823 ATWRXPYESGFGMG-FQRUVTKNSA-N 497.986 5.030 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1 1811795745 BNVHSHHADVXXSO-YKSBVNFPSA-N 493.394 5.202 30 20 JKED Cc1cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)ccc2[nH]1 1812277234 IOYNEUGLXYFBHL-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1812933491 LUDHTXWCARXQKK-FIPFOOKPSA-N 488.607 5.109 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1812962558 WIZKNCFSWUQWRV-KMQNXVAFSA-N 477.624 5.435 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)cccc1C(F)(F)F 1814499890 BTJFXAXUXQLLDJ-JOCHJYFZSA-N 495.505 5.157 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1)C1CC(F)(F)C1 1814539538 IDZVYZMBCYKULU-XMMPIXPASA-N 488.538 5.161 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCc3ccccc3F)n[nH]2)c1 1814854215 NMPHDJXFDUFGPY-DFBJGRDBSA-N 487.579 5.505 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c(O)n1 1816240846 SHSFWSIEWCESJW-NRFANRHFSA-N 497.958 5.041 30 20 JKED CCn1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c2ccccc21 1817753231 MRYSNCUXEXGSJA-UUOWRZLLSA-N 495.587 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1819309372 TXIDCTDKCZMDRM-TZIWHRDSSA-N 485.510 5.374 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCn2cccc2)[nH]n1 1819385606 YBRGMABWNWKCQU-HSZRJFAPSA-N 481.717 5.125 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)[nH]n1 1819385632 YNEVVGMPPHRNOI-XXBNENTESA-N 496.650 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1819554477 BKVGVVPWWBAFHE-SFHVURJKSA-N 451.596 5.318 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@](C)(OC)c2cccc3ccccc23)n[nH]1 1820703686 BPOBPXZYFYQKKR-ABYGYWHVSA-N 486.616 5.310 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)ccc1F 1820914650 ASSGTMWHRBGOED-RUZDIDTESA-N 481.531 5.122 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 1821087618 XPKDPXDDVMDOSW-SCLBCKFNSA-N 452.452 5.086 30 20 JKED CC(C)c1cc(Br)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)c1 1821334216 MZLCCYAFRWNWSH-LJQANCHMSA-N 486.414 5.151 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(OC)cc2F)n[nH]1 1822255083 MZNGRIPKYWUHPU-RSNBEDGSSA-N 468.573 5.255 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)[nH]n1 1822580266 YBJKURKLSMQSHX-VWLOTQADSA-N 494.599 5.248 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c(F)c1F 1823197486 NPEXXYTXKLDJJE-IBGZPJMESA-N 483.906 5.141 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1823677790 GDHMCYOXEFWVEB-AREMUKBSSA-N 489.019 5.434 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)cc1 1823682501 ACZFTLGDSOGJRO-AREMUKBSSA-N 496.026 5.146 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)CC1)c1ccccc1 1823727745 NRIZQQPPLUXAIV-LBBURDNXSA-N 483.656 5.220 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)cc2F)CC1 1823930349 IIEXMFGTLQDZRR-HRAATJIYSA-N 465.407 5.034 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)CC1 1824759116 JVMDDKSYDLZONG-PKTZIBPZSA-N 489.701 5.068 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccnc(C)c2)CC1)c1ccccc1 1825043884 NTHYGXZXXFKDPJ-WDYNHAJCSA-N 485.672 5.140 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1825188883 MONNBJPJXVSQKK-FGZHOGPDSA-N 477.571 5.031 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1827736086 TYYMHCIWBGSJQA-PGRDOPGGSA-N 487.019 5.110 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccccc3n2)CC1)c1ccccc1 1828006295 ANLYUZAZOTWZTQ-VAVYLYDRSA-N 494.639 5.060 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c1 1828190145 DILRDYMIQIMBMZ-NBGIEHNGSA-N 469.585 5.607 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(C)oc4cc(O)ccc34)CC2)c1 1828220867 SWDYQCQRACIZPG-RUZDIDTESA-N 485.584 5.174 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828527236 ZLKSHAAQWOHFSI-SANMLTNESA-N 477.649 5.475 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1828822910 NOHGXRXMHPKWON-LOSJGSFVSA-N 475.633 5.652 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1828826696 AOYYLQJGCRAFTF-NFBKMPQASA-N 462.556 5.707 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1828886888 ZCKOJTOQPITSGR-FGZHOGPDSA-N 481.464 5.108 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1828904949 FTUVGEMNSFTVHP-SANMLTNESA-N 477.725 5.452 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1829069637 ANPYTPKGHZDIQH-DHIUTWEWSA-N 491.717 5.292 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2noc(-c3ccccc3)n2)CC1 1830130936 LHJWNWZULVVDIS-JWQCQUIFSA-N 490.648 5.057 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1830608050 UNGOOBGQDKFOMU-LJAQVGFWSA-N 494.639 5.513 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(OCc4ccccc4)ccc3O)CC2)C1 1830792251 KKPMHFRBWDBWKO-HHHXNRCGSA-N 488.628 5.171 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1831447910 ZDLKAIOZCOECGX-SFHVURJKSA-N 460.899 5.063 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc4c3CCCO4)CC2)c1 1832630865 OUZXBPVQWONBEC-KBMIEXCESA-N 491.657 5.247 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)Cc3ccco3)CC2)cc1C#N 1832704923 ZDHKRILMZDBPKN-LVXARBLLSA-N 491.632 5.051 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1832828103 OQNMOENNDCYEGM-QHCPKHFHSA-N 478.555 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1841319226 KFCULNABZRVBIU-HXUWFJFHSA-N 481.637 5.109 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(C)o2)C1 1841705717 ABVABEPMYNJUTD-NRFANRHFSA-N 489.657 5.049 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CC2(CCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)C1 1844674803 IHKFGAYNFDTBNQ-UHFFFAOYSA-N 493.994 5.128 30 20 JKED COc1cc(-c2nnc(SCCOc3ccc(C#N)cc3)n2C2CCCCC2)cc(OC)c1OC 8645538 LLROPCUSRQQVRO-UHFFFAOYSA-N 494.617 5.519 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2-c2ccc(C)cc2)cc1 10136130 WRTYWOHCCPSYFZ-SFHVURJKSA-N 469.570 5.242 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1ccc(C#N)cc1 10729971 TYPXXHJYFPXBKQ-UHFFFAOYSA-N 465.509 5.298 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1cc(C)n(C)c1C)[n+]1ccc(N(C)C)cc1 11258073 ULRWUKVJGKIUFH-UHFFFAOYSA-O 456.035 5.008 30 20 JKED C[C@@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C(=O)Nc1ccccc1C#N 12744150 LANRUTRPMJZTBZ-GOSISDBHSA-N 473.627 5.164 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)nnc1-c1ccc(Cl)cc1 16814572 MXHNJGHJMZMRRE-OAHLLOKOSA-N 466.994 5.057 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)nnc1-c1ccc(Br)cc1 16832685 YLPZVZVJFVFDNZ-LBPRGKRZSA-N 479.350 5.291 30 20 JKED C[C@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18527653 GBMKIJFZRGQFEN-HNNXBMFYSA-N 486.684 5.941 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2sc(-c3ccccc3)cc2c1=O 20788681 GAKKUGJSENIYCU-UHFFFAOYSA-N 493.610 5.059 30 20 JKED C=CCn1c(C)nnc1SCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(OC)cc1 21237726 CGZLCOALPFJRLA-SANMLTNESA-N 497.624 5.404 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)c2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1Cl 22564481 ZOEPHKJOMYVXIL-UHFFFAOYSA-N 498.338 5.234 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(Cc2ccccc2)cc1 22732034 PWRJGAHVGVOLDG-UHFFFAOYSA-O 487.595 6.456 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1[C@H]1COc2ccccc2O1 23592054 QOZGNYKRYQLZFU-RUZDIDTESA-N 498.608 5.298 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nnc1-c1ccoc1C 23632798 IDUUKIZGPYOIAQ-UHFFFAOYSA-N 451.577 5.466 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1 23874577 QWCVXAXUBKMLGS-QYBDOPJKSA-N 477.586 5.131 30 20 JKED Cn1c(SCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nnc1-c1ccc(C(C)(C)C)cc1 23998465 HDAVRMCSHMUJTE-UHFFFAOYSA-N 486.563 5.058 30 20 JKED CCc1c(C)sc2nc(S[C@@H](C#N)Cc3ccc(C)cc3)n(C[C@@H]3CCCO3)c(=O)c12 24840419 IKFYQTPBCHJWDK-RBUKOAKNSA-N 453.633 5.043 30 20 JKED COc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)ccc1S(C)(=O)=O 60217626 CJEABJDHZWKCRW-FYWRMAATSA-N 472.566 5.156 30 20 JKED Cc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1I 107875309 LWAIINKVJCMPLL-IBGZPJMESA-N 486.740 6.161 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)o1 108259030 ZVGKPJJMERFVJF-UHFFFAOYSA-N 471.492 5.107 30 20 JKED C=CCn1c(SCc2csc(-c3cnn(C)c3)n2)nc2scc(-c3ccccc3)c2c1=O 117446226 UCZCCGBGEMVKTR-UHFFFAOYSA-N 477.640 5.460 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)c1 409477500 ADRWCRXMZPTWDT-UHFFFAOYSA-N 466.585 5.141 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(CN2CCCC2)c1 409504624 VMQRBSVKYQCEOG-UHFFFAOYSA-N 460.391 5.082 30 20 JKED C=CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482249646 WYVLDRMOFCLLHW-SFHVURJKSA-N 461.465 5.974 30 20 JKED CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(CCC#N)Cc3cccnc3)c2)cc1 490188839 XDPCKMRDZNLIHC-UHFFFAOYSA-N 490.629 5.090 30 20 JKED Cc1c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cccc1C(=O)Nc1ccccc1 498437862 DLAZNMXZRACCEK-UHFFFAOYSA-N 461.521 5.950 30 20 JKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 502089260 PXQFNUROJLLLPC-HOYKHHGWSA-N 474.992 5.845 30 20 JKED C=CCN(C(=O)c1ccc(OC)c(OC)c1OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502934413 LSQUJLJKMQYCFS-UHFFFAOYSA-N 479.385 5.976 30 20 JKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1nc(-c2ccccc2)cs1 504061785 WKTVSJUGYPGLJV-AWEZNQCLSA-N 478.628 5.708 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](c3ccccc3)c3ccc4c(c3)CCCO4)CC2)c1 504474894 GWLARLDQKWWWLG-NDEPHWFRSA-N 467.569 5.226 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3cccs3)c2)cc1[N+](=O)[O-] 505887466 AIADMWYBHWXRER-UHFFFAOYSA-N 473.514 5.361 30 20 JKED N#Cc1c(F)cccc1Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 506852312 VCMHUSAOPOKBNU-UHFFFAOYSA-N 455.312 5.511 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1F 507772312 HPEOYZUWXWUZFI-UHFFFAOYSA-N 461.360 5.154 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510237142 ONNRMANWEGWISM-UHFFFAOYSA-N 464.403 5.673 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 510289189 RJWTVMBENVKVIO-UHFFFAOYSA-N 498.509 5.648 30 20 JKED CCOc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 511466120 RYFPWXRFNZCISB-KRWDZBQOSA-N 458.518 5.101 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCC(=O)NC1(C#N)CCCCC1 513249161 NAKGKROUMSKXTJ-UHFFFAOYSA-N 458.484 5.021 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1 513954044 XDFIOQOGBTWYOL-UHFFFAOYSA-N 476.939 5.712 30 20 JKED N#Cc1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc1 514494809 VIBZVGFDSGSVRX-UHFFFAOYSA-N 461.330 5.310 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 515043665 PVXMPVMPHGKSTC-UHFFFAOYSA-N 451.408 5.061 30 20 JKED C=CCN(C(=O)NCc1ccccc1Sc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 517515520 LIPJGNPHONDJPT-HXUWFJFHSA-N 470.602 5.272 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCOc4c(-c5ccccc5)cccc43)cc2)c1 517531586 BPMNRPVZOSQCAS-MHZLTWQESA-N 489.531 5.596 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(CC(=O)N4CCCc5ccccc54)cc3)CC2)c1 517884969 GVQVUQFQYADJDA-UHFFFAOYSA-N 494.595 5.155 30 20 JKED CCn1c(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nnc1-c1cccc(C)c1 518256861 WKVXVJSOYBCJFL-UHFFFAOYSA-N 497.624 5.649 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(Cl)cc1 518668893 RWWKNWSEPAPMPG-KRWDZBQOSA-N 469.916 5.571 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc(-c2ccc(Cl)cc2)cs1 520198699 CKGBNXHLXTXEHN-INIZCTEOSA-N 479.970 5.848 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 521195274 SCEWBZUTMRXGMJ-HDICACEKSA-N 485.987 5.036 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)c1ccccc1 521311427 DNHYKNRNVVGGOV-UHFFFAOYSA-N 482.462 5.558 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 521739438 GRAUUKSCXLSYEF-LIRRHRJNSA-N 462.402 5.547 30 20 JKED CC(C)COC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1 523244796 GZHLYAYGXLZOCQ-FYYLOGMGSA-N 479.964 5.057 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 524158247 MDJXVDZVSCCNNQ-OAQYLSRUSA-N 497.530 6.260 30 20 JKED C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 524657562 ZATLVPYOLGPLAT-IBGZPJMESA-N 486.547 5.264 30 20 JKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1OCC(=O)N1CCCC1 553310816 MCDOEZWHZLKSNS-SANMLTNESA-N 498.583 5.625 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 600839966 ZQRKTNPAFNSHNY-JOCHJYFZSA-N 479.924 5.348 30 20 JKED COc1ccccc1-c1nc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cs1 604503049 QEAISWPXCXTSQO-UHFFFAOYSA-N 465.585 5.086 30 20 JKED CCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 608801586 SZRUNFUHOSWXLN-NTMALXAHSA-N 493.658 5.950 30 20 JKED CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)cc1 608809730 NZPLPYLZBIUJEN-UHFFFAOYSA-N 488.521 5.178 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 608876653 QWVQELRAENBYKL-SFHVURJKSA-N 481.339 5.352 30 20 JKED CCOc1ccc2nc(-c3ccc(NC(=O)NC4CCN(c5ccc(C#N)cn5)CC4)cc3)sc2c1 608992910 LHXVUUIRRTULLB-UHFFFAOYSA-N 498.612 5.419 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)o2)cc1 609027679 DAXKIEJBFJFQGL-RUZDIDTESA-N 451.526 5.543 30 20 JKED Cc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1-c1cccc(Cl)c1 609028079 NJKDXTSKTXUHOZ-VWLOTQADSA-N 456.933 5.408 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1cc(C#N)ccc1OC(F)F 609066977 QBUOLJDRCCEZLE-UHFFFAOYSA-N 465.287 5.450 30 20 JKED Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1S(=O)(=O)Nc1ccccc1 609071115 YRYQRHKBRLTGJE-UHFFFAOYSA-N 487.537 5.092 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(OCc2ccccn2)cc1 609079204 OQXLMEPSUFKHHR-UHFFFAOYSA-N 478.552 5.741 30 20 JKED Cc1ccc(C)n1-c1nc(CC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cs1 609173250 NGHVPKFCTUZFJM-XMMPIXPASA-N 456.571 5.053 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209264 YVYGKKMXUMHPDG-UHFFFAOYSA-N 493.361 5.524 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 609437894 WCRIAGKOWRLVMD-OFNKIYASSA-N 457.599 5.510 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 609438262 IWJJDIPWGMYSHU-FDDCHVKYSA-N 478.017 5.773 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319267 XLCTUFJBDHZSCO-MRXNPFEDSA-N 498.416 6.921 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccncc1 613365731 YAWXXLGWSVJACX-XMMPIXPASA-N 473.577 5.005 30 20 JKED CN(C)[C@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(F)cc1 617125098 WYELWQWNABHCQL-GOSISDBHSA-N 488.407 5.082 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 622569460 ALHJXOVHZCKWOK-UHFFFAOYSA-N 492.382 5.025 30 20 JKED C=CCn1c(S[C@H](C(=O)N2c3ccccc3C[C@@H]2C)C(C)C)nnc1[C@@H]1COc2ccccc2O1 639395131 YCTVHBIJGGDIMR-NWVWQQAFSA-N 490.629 5.071 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 680514734 PQFXNYLXGLUVGY-CQSZACIVSA-N 479.408 5.889 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc(-c2c(F)cccc2F)cs1 726330037 WNQWYMVHYRNOHZ-DAWZGUTISA-N 471.573 5.520 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C2CC2)cc1F 726416870 UFMUSNYSABJESN-JOCHJYFZSA-N 463.534 5.110 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 727233626 TVXWTRFWVDFXLX-CMPLNLGQSA-N 458.383 5.978 30 20 JKED COc1ccc(-c2nc(SCc3ccc(OCc4ccccc4)cc3)nc(O)c2C#N)cc1 727267305 GAFGLSNIKCACEV-UHFFFAOYSA-N 455.539 5.601 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cs1 727654584 NVIZNKOFTQTNFQ-FMIVXFBMSA-N 498.004 6.948 30 20 JKED Fc1ccc(-c2nc3c(s2)C(=NNc2ncnc4c2cnn4-c2ccccc2)CCC3)cc1 727684584 JDGDSXOWNXNENC-UHFFFAOYSA-N 455.522 5.231 30 20 JKED COc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 727985114 YDFFFMZABOCDPA-UHFFFAOYSA-N 468.465 5.210 30 20 JKED COc1ccc(-c2nn(CN(C)[C@H](C)CC#N)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 728902897 XSNOZJRJJUCXGG-OAHLLOKOSA-N 461.513 5.289 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1 729552781 KVZIKIYEYAJZHD-VWLOTQADSA-N 462.557 5.539 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C)c1C 729633781 GEVFXZXJMKGEMH-QHCPKHFHSA-N 458.587 5.167 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1F)c1cccs1 729818437 SRGKOJPFUPOIHS-VFEBEHMDSA-N 492.601 5.349 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O 730459125 HORZYMXCVKEDGN-HSZRJFAPSA-N 487.581 5.359 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1Cc1ccco1 730521767 KQPPOTSDDXGQAJ-QHCPKHFHSA-N 493.585 5.020 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cocn2)C1=O)Nc1ccccc1 730726322 DKHHQWFOWPPWAF-XMMPIXPASA-N 482.565 5.502 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1 730942215 JJDKYHWHKQORBJ-HTAPYJJXSA-N 462.550 5.251 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 731065065 YQKFLOVFUSLDGK-KRWDZBQOSA-N 479.627 5.546 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)o1 731069438 NLRJYSTZJQMICF-CQSZACIVSA-N 455.561 5.210 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731305979 QUPLATMHOTUKHY-VFNWGFHPSA-N 480.977 5.162 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731310854 RNHDKBPJBQYEFX-OAHLLOKOSA-N 492.306 5.222 30 20 JKED Cc1cccn2cc(COc3ccc(/C=C4/SC(=S)N(c5ccccc5C#N)C4=O)cc3)nc12 745186527 QZCQAGJKDZOPHU-YDZHTSKRSA-N 482.590 5.499 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 746697608 HXFJUEDDHSXVNH-FQEVSTJZSA-N 459.999 5.117 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCCOc1ccccc1Cl 748583104 BGDKKMQLGRKBMO-WUXMJOGZSA-N 493.943 5.659 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2F)ccc1Cl 750554078 XCTOXCVGSXPNOX-UHFFFAOYSA-N 493.387 5.790 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 751336989 MRWGVLLWRNHVBO-LBPRGKRZSA-N 474.797 5.069 30 20 JKED N#Cc1cc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)ccc1Cl 787093972 QGOHAFJKHFSRDS-UHFFFAOYSA-N 456.011 5.785 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(SC(F)F)cc1 799210146 ODXNJRBQPYRHEL-MRXNPFEDSA-N 453.511 5.121 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N([C@H](C)CCc2ccco2)C1=O 837381499 LCKPPNJOLMSDSB-NTKDMRAZSA-N 491.613 5.578 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N([C@H](C)c2cccnc2)C1=O 837833621 XKGXABODBHJDOP-JPYJTQIMSA-N 474.586 5.120 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 837838757 DTQWWJKOXNTCGY-JTSKRJEESA-N 462.550 5.251 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 838088981 IEVBWICKXHEEMY-FDDCHVKYSA-N 474.586 5.202 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1ccccn1 838191978 PPWJUABNAJZRCO-SBUREZEXSA-N 476.577 5.505 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 838543621 WUBPEUVKIGAOEN-VFNWGFHPSA-N 466.513 5.081 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(Cc2cccc(Br)c2)C2CC2)c1=S 914783474 FFGJPBYRNKFRQQ-UHFFFAOYSA-N 456.413 5.047 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 915351905 DCMVQMSDSYOQOL-SANMLTNESA-N 452.558 5.031 30 20 JKED CCOc1ccc(CN2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 915354187 WSNIYJZAGLXEEU-HHHXNRCGSA-N 454.574 5.090 30 20 JKED COCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1OC 915992842 CLFNUBMCKPUZLK-SOFGYWHQSA-N 488.512 5.036 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)cc1 916213432 CTTYUFYANVRTKC-FQEVSTJZSA-N 493.551 5.720 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)CSc3nc(C)c(C)c(C)c3C#N)cs2)cc1 916538156 GXKQHKOKHBEBOF-UHFFFAOYSA-N 494.642 5.418 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916884421 XBXDTMFVESJHHH-AWEZNQCLSA-N 469.494 5.832 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 916911777 NTDBMJALSKGLQD-AWEZNQCLSA-N 463.868 5.752 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916927187 FEKGCMQCRJIUMA-LBPRGKRZSA-N 472.378 6.293 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 916949251 MVONKISYGQWWBB-UPCLLVRISA-N 462.981 5.546 30 20 JKED C=CCn1c(SCC[S@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccccc1OC 917183916 JCCWBISVAVJANC-LJAQVGFWSA-N 468.431 5.346 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1sc2ccccc2c1C 917612576 ZTONYDYJBHBQLD-UHFFFAOYSA-O 456.616 6.255 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C#N 917701867 CGTUOWJYZXZGGG-QGZVFWFLSA-N 459.358 5.011 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc2ccccc2c1 917702088 YINFWGYIHYMPCD-HSZRJFAPSA-N 475.570 5.003 30 20 JKED CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 918311014 QZGGGFUJLUNJJI-VWLOTQADSA-N 489.019 5.439 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc1 918492454 SZTUAXOYBBWNFL-MRXNPFEDSA-N 459.354 5.369 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 920177355 YYGKLNRFDGIHLZ-OSPHWJPCSA-N 488.588 5.431 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)cc1C 920353417 JDRMHTZNGGSLIS-QFIPXVFZSA-N 498.555 5.347 30 20 JKED CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1ccc(Cl)s1 1541513231 LTUJQVQHXOVZIZ-UHFFFAOYSA-N 496.040 5.318 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C(F)(F)F)cc1Cl)C2 1779272190 SVRQBOJMIBNHGF-SNYIIPAISA-N 498.973 5.255 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)cc1 1785797355 HEXPHIUJWBATCH-UHFFFAOYSA-N 462.553 5.005 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccc(Cl)cc3)cc2)CCC1 1785988978 RFWDZBLTYYOFQZ-MSOLQXFVSA-N 455.986 5.379 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Cl)c(F)c3)CCC2)cc1 1786365440 HVTVNLXXPGBPNF-UHFFFAOYSA-N 458.961 5.139 30 20 JKED Cc1ncccc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1786743850 LHLCLUVSRYECGN-UHFFFAOYSA-N 472.976 5.296 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)CCC1 1788689549 PRZVOPSLFCYMEN-UHFFFAOYSA-N 480.490 5.052 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1789577644 RMHCZRDXORBSSP-CCVNUDIWSA-N 474.948 5.281 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C(C)C)nn4ccccc34)CCC2)cc1 1790564650 JUHZBIXYARFQPF-LJQANCHMSA-N 475.593 5.006 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)C56CCC(CC5)CC6)CCC4)cc3)c2c1 1790837000 JUJATPFXJOACOB-UHFFFAOYSA-N 467.573 5.153 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1791300353 LZASDPDGONVXHA-UHFFFAOYSA-N 461.512 5.708 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccnn4C)c(Cl)s3)CCC2)cc1 1791582759 CETJOTPCULHHCF-UHFFFAOYSA-N 481.021 5.353 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)nc4ccc(F)cn34)CCC2)cc1 1791584110 NOJJQKZEOQNZHP-UHFFFAOYSA-N 486.469 5.043 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1)c1ccc(O)cc1 1791949164 NINJJPWQIOIKQM-QFIPXVFZSA-N 470.569 5.167 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204900 LDFNSAOBBGZYDV-HSZRJFAPSA-N 483.653 5.560 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc(Br)c1F 1793027063 NURZHAHCBZABPV-REPLKXPHSA-N 479.434 5.151 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1797911743 YYBIFIHKYWIJBG-VNEITRSASA-N 487.084 5.196 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(Br)cc2c1 1800930947 RVZCBUSCWCOQHZ-LRSLUSHPSA-N 482.422 5.018 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCC(C)(C)C 1801830792 XMUFPGDXEYFQJB-BJESRGMDSA-N 491.717 5.481 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1802498990 DPGLKHKISMEHBD-VGOFRKELSA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1803091361 ZZZDRMVEQGNNJV-LXFBAYGMSA-N 488.607 5.109 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1803871284 JPNRJSYUSHDFFN-JMGPTOKJSA-N 494.451 5.465 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)C1 1804860111 ZYRYDSHQSCKKKK-SFTDATJTSA-N 458.593 5.292 30 20 JKED N#CCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1806289997 MLDVIPSBUKMAPQ-WNJJXGMVSA-N 474.649 5.365 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1808421064 GMUXCWCGBCZRTO-UCXNNHFUSA-N 493.673 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808542362 ITTATMXYWNUVFO-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@@H]1c1cccnc1 1808824416 GKPOHKVNMCSRGN-DUZPHZCSSA-N 498.627 5.059 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)CC3CCC(C)(C)CC3)[C@@H]2c2cccnc2)c1 1808901587 LOOHVKQXAUXOME-RZLJKOCPSA-N 486.660 5.635 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(C)c3[nH]2)[C@H]1c1cccnc1 1809750792 NLICSHHPCZTGCO-RCZVLFRGSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1810488056 BCLUCOHSIIKLQK-JTHBVZDNSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1810498679 OXAPBXBZMRBHQU-QKDODKLFSA-N 471.645 5.277 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810591990 XDIXKUIIHCYKAS-VNZMSGEBSA-N 470.013 5.054 30 20 JKED CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811415471 BRONQDVDUYPKCM-FXSPECFOSA-N 487.003 5.120 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3c(Cl)c2OC)[C@@H]1c1cccnc1 1811439016 SXIBZWPEACSBAD-RLWLMLJZSA-N 490.003 5.020 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3c(F)cc(Cl)cc3Cl)[C@H]2c2cccnc2)cc1 1811459000 FZTYCZAJXAORCZ-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3c(F)c(F)ccc3c2)[C@H]1c1cccnc1 1812243409 YXCOEDCEWNHONO-CJFMBICVSA-N 492.570 5.220 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812508288 YDYFADZHEWZYBM-WIOPSUGQSA-N 485.550 5.117 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1)C(F)(F)F 1812677600 GURAYSCKPGMOAD-KXBFYZLASA-N 493.938 5.388 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1813957662 MQZJOSPKMNREGP-PQNGQFLHSA-N 485.550 5.497 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)[nH]n1 1814828463 MTOCMBAEDUTDQG-AZGAKELHSA-N 477.653 5.253 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccccc2OC)n[nH]1 1815009581 HMBQJXXFKGGFBW-NRFANRHFSA-N 452.599 5.036 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1815245801 ULGDHEQDVWVXRO-WIYYLYMNSA-N 481.647 5.137 30 20 JKED Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1C 1815633809 WMSFJJUCSHUKQU-CJFMBICVSA-N 469.589 5.202 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c(O)n1 1816239768 VYYDIRNJIAKZBM-OAQYLSRUSA-N 497.958 5.041 30 20 JKED CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1)c1ccccc1 1816740858 UNBDJLDLMKUFLY-VPHKFGTKSA-N 469.589 5.536 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c(Cl)c1 1819029350 NGOAIIVCRATEGJ-KRWDZBQOSA-N 496.017 5.831 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)[nH]n1 1819311276 SSLIZZZAHGZKAT-UWJYYQICSA-N 456.974 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)n[nH]1 1819412171 CDLIAYZUWHWNLQ-IELYSFOXSA-N 462.619 5.058 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc(Cl)c(Cl)c3)n[nH]2)c1 1819743206 OWKFQEIFPISQKO-JLTOFOAXSA-N 497.386 5.358 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2)c1 1820208087 MPEQKEVRFIXCFP-OAQYLSRUSA-N 498.370 5.216 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)ccc2n1 1820219290 NJHYXWVGMBYCCK-QHCPKHFHSA-N 498.974 5.411 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)Oc2ccc3ccccc3c2)n[nH]1 1820712422 SYQPMTKAOAZOEF-NTKDMRAZSA-N 490.604 5.004 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)n[nH]1 1820965790 RXJDMIATQLUWPD-CMSSDFPGSA-N 487.604 5.374 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1820970810 MZRZXHJFYQWIJY-OPAMFIHVSA-N 496.999 5.027 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c1Cl 1821183376 YAFMGNIRJRASPT-NRFANRHFSA-N 461.953 5.057 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821290155 PAVYNYAMDCAJTG-PXAZEXFGSA-N 453.345 5.374 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)n[nH]1 1821351753 GJGNTJIRKYABNJ-LAUBAEHRSA-N 492.542 5.649 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4c(Cl)ccnc4c3)n[nH]2)c1 1821385427 PWCGSVIKGLMNIL-XMMPIXPASA-N 498.974 5.411 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cncc(-c3ccccc3C=O)c2)n[nH]1 1821728280 RMZYVCQMATXOHD-JYFHCDHNSA-N 497.599 5.359 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)[nH]n1 1821921240 QWVNCQGUPDXFDM-LAUBAEHRSA-N 450.583 5.031 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1821925016 LBMSHMKSMHLZPM-PXAZEXFGSA-N 453.345 5.374 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)c1 1823276973 MEZFRKCJHWJSKR-HXUWFJFHSA-N 483.906 5.141 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1)C(F)(F)F 1823308506 ADPJDFWYSSMKAC-HNNXBMFYSA-N 494.823 5.506 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(C)cc3Br)CC2)C1 1823701157 BHTDRHPJZWOJJP-JOCHJYFZSA-N 477.418 5.096 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Sc2ccccn2)CC1 1823755152 LVNUELULTKBYOP-UNMCSNQZSA-N 457.684 5.174 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccc3ccc([N+](=O)[O-])cc32)CC1 1824369730 ROCQLEQYLIWNGI-XMMPIXPASA-N 494.636 5.162 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1824539245 MVBIGQIOJPEWOW-ILBGXUMGSA-N 483.653 5.075 30 20 JKED CC(C)(C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1826337683 BAAFHBQTPHLSLT-OAQYLSRUSA-N 463.544 5.247 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827534857 CLTGOICHPFRKGV-XMMPIXPASA-N 481.434 5.249 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1827846636 FUFZIBSAANBBNF-YADARESESA-N 476.621 5.110 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1Cl 1828518712 OIPZKHVRGLQKSJ-DEOSSOPVSA-N 492.982 5.379 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 1828820833 GDYHQBNRRIDQJV-LOSJGSFVSA-N 482.665 5.025 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)ccc2Cl)CC1 1828830024 PHSLLMPKQHHNFY-URXFXBBRSA-N 459.030 5.350 30 20 JKED COc1ccc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828906947 RAKGIMGNFHHGGT-AREMUKBSSA-N 482.741 5.288 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1829035312 PCOYBAHKIMNVTO-VMPREFPWSA-N 481.640 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1829068209 KPQSALDRBHDIRJ-QHCPKHFHSA-N 491.717 5.244 30 20 JKED COc1cc(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830463776 ZBMOHHDVKNMOJR-IDISGSTGSA-N 473.617 5.178 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)c(Cl)c1 1830722425 IHZWFLAFLAXUGZ-FQEVSTJZSA-N 460.361 5.005 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830737498 UOSGHPHCTGTZHW-QRWLVFNGSA-N 486.415 5.167 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)CC1 1831232135 UGNXUEZFQXLEMJ-HDYLNDSGSA-N 452.639 5.232 30 20 JKED C[C@H](c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)cc1)C(F)(F)F 1831237298 GCRWCSSSHFMHCT-XXBNENTESA-N 489.582 5.208 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F 1831451453 DCWVKOROBHJIDR-IBGZPJMESA-N 493.353 5.110 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCCn3cccc3)CC2)c1 1832631172 AGUDQEXNPQUCQR-KCWPFWIISA-N 474.649 5.219 30 20 JKED COc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2c1 1832632808 VWJFJJJOXVTGDN-RXFWQSSRSA-N 499.611 5.616 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)c1 1832634555 WRWFIELOKGNEPD-VGSWGCGISA-N 453.970 5.107 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1833076788 HETUXCRJPRCUGH-YIXXDRMTSA-N 481.725 5.380 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1844724480 RMNYWHQEXVTIKV-GOSISDBHSA-N 493.570 5.371 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1cccc(C)c1 11810269 VNLSNWLWRVTFKQ-UHFFFAOYSA-N 463.632 5.372 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 15848671 QTCONFKIRDBTIN-PBHICJAKSA-N 467.660 5.505 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccoc1C 18328349 QQBGWNGDBARLBO-ZDUSSCGKSA-N 465.560 5.444 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)cc1OC 20882649 LNHKCXDJJTUFFE-KRWDZBQOSA-N 491.617 5.458 30 20 JKED CCOc1ccc(-n2c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccccc2Cl)cc1 21124612 QKFXHEBACWHQIA-DEOSSOPVSA-N 484.025 5.133 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2Cc2ccco2)c1 22045221 FPOJBJLOVCXTMM-UHFFFAOYSA-N 463.950 5.151 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 22141838 ABYCJANOUJVHSE-UHFFFAOYSA-N 483.014 6.043 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)c1C 22729757 YQJBBFWFYOIBTL-UHFFFAOYSA-O 492.665 5.671 30 20 JKED C=CCn1c(SCc2cc(=O)n3c(C)csc3n2)nnc1-c1ccc(C(C)(C)C)cc1 36858602 FFXNYWOZCVXXDW-UHFFFAOYSA-N 451.621 5.099 30 20 JKED C=CCn1c(Sc2cc(C)c(C#N)c3nc4ccccc4n23)nnc1-c1ccccc1OC 71872248 FXEOCASCRONFKK-UHFFFAOYSA-N 452.543 5.272 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)cc1 195711578 FRIFCEZDXGPTAO-UHFFFAOYSA-N 475.545 6.424 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1 255930386 HDZJLQRBKVEUAG-CQSZACIVSA-N 463.390 5.469 30 20 JKED C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 303204791 PIRDTYYYPLCBAF-JOCHJYFZSA-N 470.573 5.105 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(-c2ccccc2)cs1 410407163 NYLIWVZPKUJCAW-QGZVFWFLSA-N 468.538 5.290 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(OC)c2)c1 497324877 SJZUPPWWMNDDLV-GOSISDBHSA-N 485.005 5.221 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccc(COCc2ccccc2)cc1 500820846 IJRUFKKICQKNEJ-UHFFFAOYSA-N 452.476 5.273 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C(F)(F)F)c1 501625844 QITJBBILKFDWBN-GOSISDBHSA-N 490.595 6.207 30 20 JKED Cc1nc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)sc1SCC#N 504770945 QNRDCDWBHWGTMM-UHFFFAOYSA-N 487.198 5.591 30 20 JKED COCCS(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 507009865 XUWBEAFTAOKLEE-QGZVFWFLSA-N 495.409 5.027 30 20 JKED C[C@H]1CCc2c(sc3nc(SC[C@@H](C#N)CCC#N)n(CCc4ccccc4)c(=O)c23)C1 508372124 WYHBHFVJCNLPRY-PKOBYXMFSA-N 462.644 5.361 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 508383887 ATJSJHNQFJWKGC-UHFFFAOYSA-N 463.585 5.592 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3nn(-c4ccccc4)c4c3CCC4)c2)cc1 509919975 OVXYUZGUTALGRY-UHFFFAOYSA-N 477.568 5.328 30 20 JKED Cc1cccc(-n2c(SCC(=O)NCc3cccc(C#N)c3)nnc2-c2c[nH]c3ccccc23)c1 510240101 SSZANZMMDSTRNA-UHFFFAOYSA-N 478.581 5.004 30 20 JKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513207383 YDVUQGMASOHUHT-NRFANRHFSA-N 460.459 5.811 30 20 JKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513980763 ZCLNTQOJMXBTNI-UHFFFAOYSA-N 492.554 6.492 30 20 JKED Cc1c(C(=O)N[C@H](C)c2ccc(C#N)cc2)sc2ncc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc12 515553014 NFUOLIYSIMLJGX-ZWKOTPCHSA-N 493.592 5.330 30 20 JKED N#Cc1ccc(Oc2cccc(NCc3nc(-c4cc(Br)cs4)no3)c2)cc1 520634381 FYJCJTOXFBRVIX-UHFFFAOYSA-N 453.321 5.837 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 521107804 IEANSFYVTAZUAG-NRFANRHFSA-N 458.533 5.215 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 524043564 XONUGQHWJJKRNA-UHFFFAOYSA-N 457.534 5.191 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(CCN(C)C)cc2)c1 524392433 IZYSDOKWAINJAD-UHFFFAOYSA-N 498.048 5.078 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OCc2ccc(F)cc2)cc1 553122586 IGDOPONBBXDDEU-MOPGFXCFSA-N 491.588 5.472 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cn2)c1 603693459 VOTXWHILMDVKQR-FOLVSLTJSA-N 472.389 5.777 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 603737791 SHKHEVLSFRNODR-UHFFFAOYSA-N 478.596 5.532 30 20 JKED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 603977217 YKWHVQFXDZDYRG-RTBURBONSA-N 471.557 5.409 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)C2)c1 604100748 OUMDTKJOZFMEFH-OAQYLSRUSA-N 469.545 5.245 30 20 JKED COc1cc(-c2noc(CCC(=O)N(Cc3ccco3)c3ccccc3C#N)n2)cc(Cl)c1OC 604115058 CRAABZWSFQMMQW-UHFFFAOYSA-N 492.919 5.038 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1 604474958 DSVMZDJUCXFUEA-VWLOTQADSA-N 468.601 5.365 30 20 JKED CCc1c(C)sc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)c1C#N 609031506 OWMCUHMNPRRDLT-UHFFFAOYSA-N 484.301 5.105 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)c1 609123699 CWAJTTDDMFZKOZ-IYBDPMFKSA-N 489.391 5.871 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 609369360 AZVBDZXGJHFKDM-INIZCTEOSA-N 460.584 5.158 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cccs2)cc1 609436220 WQZZUXCSDZBZIB-UUOWRZLLSA-N 477.655 5.939 30 20 JKED Cc1ccnn1-c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613346723 OTAVOQSZMMTZMU-SFHVURJKSA-N 453.354 6.101 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 642252169 PEELWUOBWQFBLE-SANMLTNESA-N 484.625 5.844 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 684254914 XTDGUSYIBOLAMY-UHFFFAOYSA-N 488.872 5.184 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 726402783 YBEYYOUSBPNXJI-FZKQIMNGSA-N 498.407 5.518 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCC)c1 726411051 GKNXHOVQRLUZMR-FQEVSTJZSA-N 473.520 5.447 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 726414304 ZNNJHJBUGOTPDQ-CJFMBICVSA-N 482.609 5.401 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N/[C@@H](C)c1cccs1 726419951 JZWAAEAELKJCNK-KAUURPEQSA-N 499.630 5.099 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3cc(C)on3)C2=O)cc1 726421188 LXVZMSWBYSHLBL-HOCQLMGASA-N 498.630 5.033 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)c1 726423559 ZVMJWVXSRBHGAL-XUQWWMNUSA-N 492.670 5.658 30 20 JKED COc1cc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1OCC#N 726626819 GUWKJOIAZJGOAG-WOJGMQOQSA-N 464.490 5.018 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 726938756 UUXPFPYRNYZQBZ-UHFFFAOYSA-N 456.433 5.291 30 20 JKED N#C[C@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 727631844 MRNMIJBGPZJPIQ-CYBMUJFWSA-N 452.404 5.796 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCc1ccccc1)CCN(C)C 728119144 IZTWWRUEJVCULH-UHFFFAOYSA-N 456.590 5.084 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728187682 ZVRZLPFMHKMROW-RUZDIDTESA-N 455.489 5.179 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)[n+]2ccc(CC)cc2)c1 730440459 PHKJLDMGESWIKP-UHFFFAOYSA-O 491.636 6.420 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCC3)C2=O)c1 730461297 BCRFEVKVMAEXKI-NRFANRHFSA-N 466.994 5.341 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(Cl)c1 730720302 PUFAQASJRMMQLH-LEWJYISDSA-N 492.004 5.086 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)[C@H](O)C3CC3)c2C#N)C(C)(C)C1 730882466 FTNAVUVIBMPMGN-ANIGNSTFSA-N 482.627 5.020 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 731081036 UBRMSYDGDUKRKR-HNNXBMFYSA-N 464.509 5.559 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)c1 731312985 RTJHSKJDFIKONE-RUZDIDTESA-N 498.608 5.548 30 20 JKED C=CCN(Cc1ccc(Cl)s1)Cn1nc(CN2CCCC2)n(Cc2ccccc2)c1=S 732418866 IOFYTEZZPKCKAU-UHFFFAOYSA-N 474.099 5.419 30 20 JKED Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)C[C@H]4CCS(=O)(=O)C4)cc3)sc2c1 747474924 TVGCPSPNKHJMKN-QGZVFWFLSA-N 499.683 5.050 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)c1 747603360 QOLGHQXOTBIQEU-HXUWFJFHSA-N 482.606 5.048 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1C 748778719 USZLZEIGDMUEKX-UHFFFAOYSA-N 480.037 5.540 30 20 JKED Clc1ccccc1Cn1cc(C=NNc2nc(-c3ccncc3)no2)c(-c2ccccc2)n1 750948765 MFTHCXKDGKVJHV-UHFFFAOYSA-N 455.909 5.143 30 20 JKED C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1OC 810238476 QISQWLLNQVIPNU-IZZDOVSWSA-N 456.336 5.045 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N([C@H](C)c2ccccn2)C1=O 837424282 REJZVYYEBZBKRH-NTKDMRAZSA-N 488.613 5.429 30 20 JKED COc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(Cl)c3)=C2C)cc1 839944479 BVPWYTROUMTVFP-DEOSSOPVSA-N 489.000 5.569 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nn1-c1ccccc1C(F)(F)F 915086887 ODDJQFUFWBKLSI-OAQYLSRUSA-N 488.469 5.468 30 20 JKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103536 WUWAATALUJXWHC-ZHYQCZFISA-N 457.599 5.302 30 20 JKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCOCC2)cc1 916138323 FWNWNXQIFIIVFG-NYYWCZLTSA-N 481.379 5.978 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(C[C@@H]2CCCO2)C1=O 916216841 ZWJRBIVHIHCTRI-URXFXBBRSA-N 495.645 5.232 30 20 JKED Cn1c([C@@H](C#N)C(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)nc2ccccc21 916845202 QJFSTLZLOAWUAJ-FQEVSTJZSA-N 487.357 5.007 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916883157 PNMSMHNKSGBNQQ-IBGZPJMESA-N 483.380 5.723 30 20 JKED N#C[C@@H](C(=O)CCSc1ccccc1Br)C(=O)Nc1ccc(SC(F)F)cc1 916888804 ZIHIQHKSZTXBSV-AWEZNQCLSA-N 485.375 5.594 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(COc2ccccc2)cc1 916904358 BAGFZNRPDUUPRU-VWLOTQADSA-N 462.505 6.019 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1ccccc1Cl 916910682 IOWXACQQGSXQOA-OAHLLOKOSA-N 463.868 5.372 30 20 JKED COc1cc(/C=C\C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCc1c(C)noc1C 917044090 PRCZBXMXSFDUKL-GINYUPMKSA-N 493.972 6.032 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)cc2Cl)cc1 917612775 HNAYDAXQGOFIEH-UHFFFAOYSA-O 455.390 6.038 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)s2)cc1 917614138 ZMLNPBDAGBYZMW-UHFFFAOYSA-O 455.028 6.181 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccc(Oc3cc(C)ccc3C)nc2)C1=O 917664993 PMWATMVJCWMEGE-HSZRJFAPSA-N 488.613 5.067 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CC(F)(F)F 917698066 YNFUMZWIFHIZRQ-QGZVFWFLSA-N 455.546 5.096 30 20 JKED CCOc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)c1 917703360 LNLLHZYFUYYDMM-DEOSSOPVSA-N 484.581 5.117 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 917763025 MUKMRIYNPOFELT-OAHLLOKOSA-N 450.926 5.171 30 20 JKED C[C@H](OC(=O)c1[nH]c2ccc(Br)cc2c1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 919338225 ZGMCLGJLTFTTRX-LBPRGKRZSA-N 492.732 5.215 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2cccc(Br)c2)o1)C(=O)N(CCC#N)c1ccccc1 919395819 CCQNHBKFOHKORB-QGZVFWFLSA-N 497.345 5.113 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 920106596 UCKQJSLPLYURBE-XMMPIXPASA-N 490.515 5.676 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1 920141244 NFUYIRZHLGPMMH-OAQYLSRUSA-N 496.621 5.168 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c(SC(F)F)nc4ccccc43)n2)cc1 920141641 KWVJBHFLWQFGND-HNNXBMFYSA-N 465.510 5.223 30 20 JKED COc1ccc(-c2nnc(S)n2CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 920463503 WPWGAKFWCSHNIS-UHFFFAOYSA-N 485.569 5.244 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)n1 920766716 UGRUALAYCMGDIY-DUBROFONSA-N 479.561 5.520 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3c(Cl)cccc3s1)C2 1779511616 UXODAQOAGOHYLM-ATIYNZHBSA-N 489.081 5.675 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ncc[nH]5)cc4)CCC3)cc2)c1 1786041542 ZPYQGSVXSZPXDD-UHFFFAOYSA-N 489.579 5.329 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786175469 WIPKOPYYKSZYMW-YADHBBJMSA-N 468.544 5.185 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@H](F)c4ccccc4)cc3)CCC2)ccc1F 1786613686 RYYQSSZXHJISRQ-RUZDIDTESA-N 459.496 5.085 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccnc4Cl)cc3)CCC2)c1 1786776194 NNELFWWHIVWWCF-SFHVURJKSA-N 472.976 5.352 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3OCc3ccccc3)CCC2)cc1 1787647348 IBNIIPFYVXULMW-UHFFFAOYSA-N 473.960 5.580 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(-c6ccccc6)ccn5n4)CCC3)cc2)CC1 1787878520 ZTVPNFUKTXWSND-UHFFFAOYSA-N 475.552 5.053 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1788791340 CGUPITUISYAGHK-KVSWJAHQSA-N 473.451 5.067 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cn4ccccc4n3)cc2)CCC1 1788919751 RCDPCORVKCFZNW-UHFFFAOYSA-N 472.665 5.133 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)CCCC5=O)cc3)CCC2)ccc1F 1789041151 CUEVSTQHIQDPTP-UHFFFAOYSA-N 495.554 5.207 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCCC4(F)F)cc3)CCC2)ccc1F 1789166412 MIQRKGOXYCIFAZ-VWLOTQADSA-N 487.497 5.292 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789457941 HOXXPDPTMCFQPH-XUZZJYLKSA-N 495.664 5.536 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789879488 AQXRYPXNHKTWDW-VUTHCHCSSA-N 487.629 5.030 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)cc(Br)c4)CCC3)cc2)c1 1790148230 GQFPNCDYCOPUAM-UHFFFAOYSA-N 497.780 5.364 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3)CCC2)cc1 1790569225 IZPNFYUOMRCNAG-LJQANCHMSA-N 463.578 5.024 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)c1 1790796052 SSTYEFSWHGVADH-UHFFFAOYSA-N 460.537 5.476 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1)c1ccc(O)cc1 1791642752 QHIVICVYFCJKGW-NRFANRHFSA-N 492.579 5.213 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4sccc4F)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682269 XPLPSJJXZWTQIY-FQEVSTJZSA-N 499.608 5.201 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)c(F)cc4F)CCC3)cc2)CCC1 1792234052 GFQAHDXXUUCXII-UHFFFAOYSA-N 488.332 5.169 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792388192 CLWLEZCBOMKSJS-FCHUYYIVSA-N 495.664 5.350 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1Cl 1797876878 SOWBWGHHEGZTFS-BGOZWBLRSA-N 454.014 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C2 1798331448 NDSDWUKNYQCRRF-KAOXLYBCSA-N 497.561 5.788 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccccc4)cc2)C3)c1 1800686115 KCNFPKNOFLDJKF-KOUNCHBCSA-N 469.516 5.055 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Cl)cc(Br)c3[nH]1)C2 1801643884 VAWWIDMHKTWQGT-VDNDLQMASA-N 478.818 5.048 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCC(=O)OCc1ccccc1 1802081813 GIXVNPLIOVGWDR-MNPUUQGPSA-N 482.665 5.311 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(SC)cc2)[C@@H]1c1cccnc1 1802501292 KQVIOCFTEMZDKI-RCZVLFRGSA-N 465.663 5.044 30 20 JKED Cc1cc(C)c(OCC(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4Cl)CC3)C2)c(C)c1 1805860614 SPICMGINQCYCMI-UHFFFAOYSA-N 494.035 5.061 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)C3CCC(C(F)(F)F)CC3)C2)CC1 1806470195 NQFHCTLJWXIGJY-UHFFFAOYSA-N 454.577 5.355 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1Cl 1810267700 NWLLCPIRFDGBJY-OZXSUGGESA-N 496.127 5.414 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)[C@@H]2c2cccnc2)c1 1811801965 PMPBTOWRKPUQTF-FDDCHVKYSA-N 497.357 5.033 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1812670420 KYHMXRSZVOLGQP-DYESRHJHSA-N 473.907 5.012 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1812782335 APQKYYVCUJKBJK-JZRJJGTOSA-N 486.660 5.198 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@H]3CCN(C(=O)CC#N)[C@H]3c3cccnc3)c(C)c2)cc1 1813979607 BNRDJIRDTHQBAK-OFSOJUDTSA-N 494.639 5.633 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCC(F)(F)CC3)n[nH]2)c1Cl 1815021358 XHBNGPPFGHKEDY-GOSISDBHSA-N 475.927 5.066 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1815655705 WPCJYPFCPCJQEY-HXUWFJFHSA-N 489.601 5.376 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C)cc2C(F)(F)F)n[nH]1 1818345015 DEWMQJBKUNYAPI-GOSISDBHSA-N 465.520 5.065 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2F)[nH]n1 1819302105 ZXHUQUCDZOKAEG-UZLBHIALSA-N 489.389 5.386 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1 1819386648 FXQHAGPHPGBTOI-BQXQKYNTSA-N 454.691 5.199 30 20 JKED CC(C)n1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)c(C(F)(F)F)c1 1820485608 RFZKKGQJIQUFDV-OAQYLSRUSA-N 498.509 5.302 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2n[nH]c3cc(Cl)ccc23)n[nH]1 1820693922 GNKLFYOTUWDGDA-NRFANRHFSA-N 483.016 5.167 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1820977744 WYEAFFPLNXGFII-CPJSRVTESA-N 489.620 5.297 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)[nH]n2)c(Cl)c1 1821274524 GKUHQDDZNUSQCM-QFIPXVFZSA-N 497.933 5.152 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cccs3)[nH]n2)c(Cl)c1 1821276071 CZTBYVPJIFJVGS-FHVRUZERSA-N 465.966 5.016 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)[nH]n2)c(Cl)c1 1821277122 GYVWUJVFBRRQTH-OAQYLSRUSA-N 473.920 5.301 30 20 JKED CCCCC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1822006194 ZGIDMWLCGLZDIE-LNJMBMCMSA-N 456.612 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@H]3OCCc4ccccc43)[nH]n2)c1 1823211670 OPVBOYNZGZRJGH-WGURPXDASA-N 497.599 5.047 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)c2[nH]1 1823215395 QPWWDLOXJSMUIU-OSPHWJPCSA-N 480.572 5.446 30 20 JKED C[C@H](c1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)cc1)C(F)(F)F 1823380441 AWAGMKXAGVRNDU-UZLBHIALSA-N 487.526 5.004 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)cc1 1823684018 PXHGXDAOSCUSON-QHCPKHFHSA-N 499.442 5.126 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1823885774 HKSOPSBQMSHNQB-HSZRJFAPSA-N 496.449 5.385 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCOc3ccc(F)cc3)CC2)c1 1823971552 JEIYQXXLUZZRBZ-ZBLYBZFDSA-N 491.607 5.155 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)Sc3ccccc3)CC2)c1 1824392778 UBWNIFZXROZOHW-RLWLMLJZSA-N 475.658 5.281 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c(F)ccc(F)c3F)CC2)c1 1824798908 XERIFXREVSEUAT-BVZFJXPGSA-N 497.561 5.207 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cnc2C)CC1 1825448697 IEYTWANEWGQWIY-HSZRJFAPSA-N 488.470 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 1828823387 FXIOEESMJCUFAE-NQIIRXRSSA-N 464.437 5.390 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828906258 CBVCJMAUKWXSKI-WIOPSUGQSA-N 498.706 5.575 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3n2)CC1)c1ccccc1 1829032048 INHJLKWFCJLNME-WNJJXGMVSA-N 494.639 5.060 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1)c1ccccc1 1829035055 KGVMZJHHGVFTOJ-FIBWVYCGSA-N 493.651 5.665 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2Cl)CC1)c1ccccc1 1829862405 IBZDCTIJNUMQFJ-LADGPHEKSA-N 467.009 5.364 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829903720 KAFOSUGYIUHQPO-AREMUKBSSA-N 456.586 5.126 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)CC2)c1Cl 1830513147 QPCPIHHUOQMMMB-QFIPXVFZSA-N 489.925 5.176 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1830769813 WNWBWPLGABBEQB-RUZDIDTESA-N 489.019 5.549 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c3n[nH]cc3c2)CC1 1830863784 FUFORJHQPDNVLD-HSZRJFAPSA-N 450.627 5.097 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1831377273 XAUYMPWQDSFVJR-NLFFAJNJSA-N 473.617 5.873 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686926 JQJREFFUPYZRFZ-DCFBGRPWSA-N 493.511 5.036 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2cccc(Br)c2)CC1 1831715331 DVRFSDZCYZVXOQ-RDPSFJRHSA-N 487.482 5.051 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1)c1ccc(O)cc1 1831927472 XCRHBKFCQZVPIK-IGKIAQTJSA-N 476.661 5.089 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1 1832038151 ZXOUZUHCAMUCPW-MHZLTWQESA-N 489.685 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)c1 1832627645 GNPFMPCZMLMUNE-UZUQRXQVSA-N 499.442 5.563 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1 1832632725 BESTZQAYEJEUHM-RXFWQSSRSA-N 469.585 5.607 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)c1 1832635384 CLJQMHKUCHUSKY-AFMDSPMNSA-N 479.571 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)CC2)c1 1832640945 OAWGUWOWKRUPSW-MZNJEOGPSA-N 483.534 5.278 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1832825673 GJXRUILMBJJMOH-DEOSSOPVSA-N 478.633 5.287 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)CC1 1836744964 PONGAZWFIVJXCH-SVBPBHIXSA-N 466.666 5.193 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(OCC(F)(F)F)cc2Cl)C1 1844709180 OFEDJSXLHCEOLO-UHFFFAOYSA-N 472.935 5.091 30 20 JKED O=C[C@@H](Oc1ccccc1)c1cc([C@@H](C=O)Oc2ccccc2)cc([C@H](C=O)Oc2ccccc2)c1 2048532650 ABLGISRFGRXNOQ-OCBJUFRSSA-N 480.516 5.644 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)c(NC(C)=O)c2)nnc1-c1ccc(Cl)cc1Cl 10230918 KVYROOIQYVOWNN-UHFFFAOYSA-N 490.416 5.436 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccc(F)cc2F)cc1 11247408 GZBWVFRWUJBGIJ-UHFFFAOYSA-O 473.568 6.533 30 20 JKED CC1CCN(c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)n2C2CC2)CC1 11986964 VUKAGJBHAJRFIZ-INIZCTEOSA-N 484.695 5.028 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1ccc(Cl)s1 14872559 YLRZIXDDBLMLOS-UHFFFAOYSA-O 457.906 5.639 30 20 JKED N#Cc1ccc(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)cc1 15579174 LUKYMRCBMWPIHC-UHFFFAOYSA-N 460.609 6.080 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OCC)cc2)nnc1-c1ccc(Br)cc1 16832633 QRQVJMSPWXLCOK-OAHLLOKOSA-N 487.423 5.412 30 20 JKED C[C@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)N(CCC#N)c1ccccc1 21689725 OYKHJZRGAMNXLV-BZSPEZQHSA-N 498.583 5.638 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 24349733 XMSJITICKFJVJY-UHFFFAOYSA-N 492.409 5.662 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2cccs2)ccc1Cl 28700855 WGPXUJNVPLWGMG-UHFFFAOYSA-N 481.426 5.366 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3oc4ccccc4c3COc3ccccc3)CC2)cc1 29985164 PTOKVKCISIBRHQ-UHFFFAOYSA-N 465.553 5.232 30 20 JKED Cc1ccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1NC(=O)c1ccccc1F 31758227 BIFLNAPETDNZKS-GJZGRUSLSA-N 490.419 6.026 30 20 JKED C=CCn1c(S[C@H]2CCCCNC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 58510749 XRIRMMBLUFZVQE-DEOSSOPVSA-N 469.614 5.416 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cc1Cl 72098124 HLDQOZJLEMDCPP-PKOBYXMFSA-N 465.859 5.097 30 20 JKED COc1cc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)ccc1OCc1ccncc1 107995377 LEWSVPDBOOSWKE-FQEVSTJZSA-N 463.537 5.699 30 20 JKED CCCCc1c(C)nc2nc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)nn2c1C 108247416 UFVMQOLDZDACMM-IBGZPJMESA-N 476.631 5.176 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)cc1Cl 108947183 INAHMBWSFPDSKB-XMMPIXPASA-N 483.959 5.473 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 110485314 PQZWFNDNEFERHG-UHFFFAOYSA-N 472.504 6.628 30 20 JKED N#CCCn1cc(C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c2ccccc21 247703224 BLFOTEOIXKRXSW-UHFFFAOYSA-N 456.502 5.015 30 20 JKED COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2ccccc2C#N)cc(OC)c1OC 409716924 CXFQDJDGNWTNGK-XMHGGMMESA-N 491.547 5.871 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1 409981398 SYJXAFXRRSKLDV-UHFFFAOYSA-N 467.550 5.632 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 483379088 QPUFKIVLVBFXRE-VWLOTQADSA-N 469.560 5.020 30 20 JKED C=CCn1c(Sc2nc(CN3CCCC3)nc3sc(C)c(C)c23)nc2sccc2c1=O 484083128 RTLZCADMWZLDPU-UHFFFAOYSA-N 469.661 5.013 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 488010865 RWZRSJJAARQOJW-UHFFFAOYSA-N 483.568 5.531 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CSCc2ccc(Br)cc2F)cc1 495499452 IPJJNAARYCLLOA-UHFFFAOYSA-N 475.305 5.284 30 20 JKED CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 498003208 SCYPCBMCTTZAQE-PKOBYXMFSA-N 468.985 5.553 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1 498513580 ABVXQYSWXMNQRG-UHFFFAOYSA-N 468.557 5.797 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(OCc2c(C)noc2C)c1 500121060 JHTJMDURWFVRLT-UHFFFAOYSA-N 473.342 5.600 30 20 JKED C=CCOc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2c(Cl)cccc2Cl)c1 501669564 VQTOLJNFKIUORG-UHFFFAOYSA-N 456.325 5.807 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC1 505697081 BVYDFHZACVKBJR-UHFFFAOYSA-N 459.596 5.621 30 20 JKED C=CCn1c(SCc2csc(CC(=O)OC(C)C)n2)nnc1-c1ccc(Br)cc1 506618181 SNCNKJYZAKTZMV-UHFFFAOYSA-N 493.452 5.137 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 508928454 UKNQTZSVPFUVDN-UHFFFAOYSA-N 470.510 5.087 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(NC(=O)C2CC2)cc1 511320765 OCWITWJFJFKTOA-IBGZPJMESA-N 468.557 5.563 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)n2)cc1 512488501 JAJGPRYNMLNBBK-QGZVFWFLSA-N 493.997 6.276 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc12 513682177 PXSZZMCGWJIUOG-INIZCTEOSA-N 462.987 6.208 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2cccnc2)c1 514706052 ZVKMKUUZPRIQFI-DEOSSOPVSA-N 482.005 5.094 30 20 JKED Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1Cc1ccco1 514960956 AGCYEKPQWUGMRD-FRQRHGNXSA-N 477.634 5.306 30 20 JKED C=CCN(C(=O)Cn1cnc2sccc2c1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 515326324 HXNAPUOQZZHOCE-UHFFFAOYSA-N 484.606 5.468 30 20 JKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 515547104 MHYUMBHGOXDKFR-QGZVFWFLSA-N 462.918 5.960 30 20 JKED N#Cc1ccc(NC(=O)C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)cc1Cl 516277247 DRWLBFJCQRQMCO-UHFFFAOYSA-N 487.865 5.620 30 20 JKED C=CCN(C(=O)Nc1ccccc1COc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 517527374 FFGMAFIIFBYAOI-FQEVSTJZSA-N 454.534 5.022 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCCCO2 518147973 KUFRFGRTWHOWRW-HNNXBMFYSA-N 463.024 5.625 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 518148454 WNNJNDUZYZFGCC-UHFFFAOYSA-N 497.564 5.138 30 20 JKED C=CCN(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 518255568 PYKZJPBFBISHEK-CYBMUJFWSA-N 450.852 5.116 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(-c2cccnc2)no1 518751595 ZKHONVJWNKZFJU-QFIPXVFZSA-N 454.490 5.314 30 20 JKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1[N+](=O)[O-] 519053315 ACVNRNLDDIORIB-HSZRJFAPSA-N 488.500 5.463 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(OCC(F)(F)F)cc1 522434106 TXWSHWFIYDQGNJ-GOSISDBHSA-N 485.481 6.111 30 20 JKED COc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1NC(=O)c1cccc(F)c1 522571042 IAYHFGTYTMVQLF-UHFFFAOYSA-N 485.471 5.383 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NC3(c4ccc(Br)cc4)CC3)s2)cc1 523693286 SWCFDKSDHITBIF-UHFFFAOYSA-N 453.365 5.179 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 523938558 SKIALRWHPYPSPO-QFIPXVFZSA-N 450.995 5.775 30 20 JKED CN(C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1)C1CCCCC1 524379916 DAZAXQCASBDBFI-UHFFFAOYSA-N 457.530 5.387 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 524565153 JKNQEIJNYWJZLR-YJYMSZOUSA-N 468.381 5.990 30 20 JKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OC 524658430 YSOGCARIGKONTD-HHHXNRCGSA-N 499.611 5.421 30 20 JKED CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OCC(=O)NC 603829015 MVBYMUJNLKEZAF-VWNXMTODSA-N 490.991 5.393 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)cc2)c1 609064643 JHXNQQROEQERFP-UHFFFAOYSA-N 481.409 5.128 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1 609066890 OLJATTHAWJATHY-UHFFFAOYSA-N 470.320 5.288 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC3CCN(C(=O)c4ccccc4)CC3)cc2Cl)c1 609079637 DTQREKHHLAPRTJ-UHFFFAOYSA-N 488.975 5.217 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(OC(F)F)cc1 609085981 ITBYPHAGBHJFBA-HNNXBMFYSA-N 499.901 5.208 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2)cc1 609216777 WQQRINLBKOIWSU-UHFFFAOYSA-N 459.461 5.403 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 609375616 DEBQZLDWEIXKMT-UHFFFAOYSA-N 499.514 5.981 30 20 JKED Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc(S(=O)(=O)N2CCC(C)CC2)c1C 609378266 ZBXJTUXMMPSXHF-GOSISDBHSA-N 485.675 5.228 30 20 JKED CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@@H](C)Cc1ccc(OC)cc1 609433915 KNDDUXBQYLKWPU-IBGZPJMESA-N 456.546 5.304 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)nc2sccc2c1=O 613907361 KBGCHMQNWOFRRG-NRFANRHFSA-N 482.030 5.295 30 20 JKED C=CCn1c(SCc2csc(-c3cnn(C)c3)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 613979461 QWBKICGGXKPIAH-UHFFFAOYSA-N 491.667 5.769 30 20 JKED FC(F)Oc1ccc(Br)cc1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 621269689 WYHZSQZNNNRACI-UWVGGRQHSA-N 456.171 5.613 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)n2)cc1 642281063 GBOYUFDMHVXJSE-FQEVSTJZSA-N 454.555 5.045 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc(OC)c1OC 642281382 BOYURIOFJKYWLK-GONJIIODSA-N 452.576 5.127 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 643933150 XTJTVGQEPGWUCL-CQSZACIVSA-N 462.953 5.374 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@H](C)c2ccccn2)cn1 726110757 IHUKTYUTOHISAR-KOSHJBKYSA-N 498.612 5.173 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)Cc2cccs2)cn1 726116764 KFYNAFBNXGMGNB-PGRDOPGGSA-N 495.674 5.173 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C)c(F)c2)cn1 726117132 RZMNPROWIUXIKS-HSZRJFAPSA-N 493.608 5.128 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccc2C)cn1 726118723 POBNGINKVFXFNC-NRFANRHFSA-N 482.009 5.025 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCCC2)c1 726395495 DQNXVGSMQAONOE-HSZRJFAPSA-N 481.618 5.224 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726404928 AOEFJFSENVKTHD-IBGZPJMESA-N 489.384 5.020 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2Cc2ccco2)c1 726412733 SXDUCVRIJIKHSK-QFIPXVFZSA-N 493.972 5.083 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2ccco2)C1=O 726419175 DLUHLWAWKSCJEO-NSJWOJMJSA-N 497.642 5.720 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@H](C)c1cccs1 726421430 MZWIUYWTFITQCT-LAVORGIMSA-N 467.538 5.343 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccco1)c1cccs1 726421540 QYXLZEOOBYBRTN-ZPGIOUQYSA-N 457.552 5.070 30 20 JKED C#Cc1cccc(NC(=S)Nc2scc(-c3ccc(OC)c(OC)c3)c2C(=O)OCC)c1 726436655 FEYOPVHVAYZRIJ-UHFFFAOYSA-N 466.584 5.399 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](Cc1ccccc1)c1ccc(Br)cc1 727960615 AJZHDJSYPXVJAK-DEOSSOPVSA-N 480.406 5.636 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3sccc3NC(=O)c3ccncc3)cc2Cl)c1 728029513 VFZNMQXJRFVLSP-UHFFFAOYSA-N 488.956 5.752 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 728521625 GBYKTHUZMZLSHN-RDGATRHJSA-N 475.589 5.602 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)cc1Cl 728778963 WSSDPZUZBCGGTO-JOCHJYFZSA-N 499.036 5.620 30 20 JKED CN(C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1)C(=O)OC(C)(C)C 729562449 WLIIGJWZPFKNRQ-SFHVURJKSA-N 450.539 5.071 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C#N)cc2F)c1 729818702 DPONJFHGGFVOTA-DEOSSOPVSA-N 497.555 5.038 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc(Cl)c1O 730583104 BUXOWCACZXKZSV-UHFFFAOYSA-N 473.769 5.093 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cccc(OC(F)(F)F)c2)cs1 730948242 AIMZXAUOGYFCMC-YFHOEESVSA-N 450.413 5.762 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N([C@H](C)c2cccnc2)C1=O 743524511 JZXXXAAUIMCVOD-HXOBKFHXSA-N 492.576 5.259 30 20 JKED CCOc1cc(/C=C2\CN(C(C)(C)C)C/C(=C\c3ccc(O)c(OCC)c3)C2=O)ccc1O 747067338 SOCBEKIKZFQUPV-ZIOPAAQOSA-N 451.563 5.045 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)CC2)c1 749147966 UUDDLENYTNCITH-QPJJXVBHSA-N 461.871 5.121 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(-c2ccncc2)n(CC)c1=S 749246292 MWIJKKNIZYRUDY-UHFFFAOYSA-N 462.392 5.043 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 749331944 DUXHFBCFHVCDMT-SANMLTNESA-N 463.541 5.096 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2c(-c3ccccc3Cl)noc2C)cc1C 801153893 FHHJIUCTNJXVAE-UHFFFAOYSA-N 451.910 5.024 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N([C@H](C)c3ccccn3)C2=O)c1 837406242 WRJKZZNJVUBHHR-NTKDMRAZSA-N 488.613 5.429 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C(C)C)CC1 838190489 NGIFZKRKORQTHH-DEOSSOPVSA-N 478.662 5.082 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@H](C)c2cccnc2)c1 838285793 PTFVCFBTRHVSSJ-KOSHJBKYSA-N 488.613 5.374 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3cccnc3Oc3ccccc3)no2)CC1 904454273 TUNWHCCTIIXTEO-UHFFFAOYSA-N 480.484 5.428 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 914481955 HSDXEIXUMXJEGD-UHFFFAOYSA-N 498.004 5.073 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)cc1 914772569 DXRRKPAEBOYAKB-HSZRJFAPSA-N 477.561 5.133 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)cc1 915862112 JFBHZLAORKOVRP-VWLOTQADSA-N 453.542 6.421 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)cc1 916211964 IHDPXUYIEBUONN-FQEVSTJZSA-N 475.536 5.917 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1csc(COc2ccc(C)cc2)n1 916911123 ZHKBJCHRGZNHFG-JOCHJYFZSA-N 461.587 5.045 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)cc1 916914147 VWTHEMOQSMNVFA-HXUWFJFHSA-N 469.372 5.248 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 916925821 OYOYJJPGSLUOAJ-QGZVFWFLSA-N 473.476 5.118 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 916928380 KFBNFGGNJNKYDN-QGZVFWFLSA-N 478.339 5.212 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 916930572 JGDXKXBGSHRIEB-HYBUGGRVSA-N 464.974 5.519 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)Nc1ccc(F)c(Cl)c1 916936776 WCJLDHJXNRJERT-OAHLLOKOSA-N 492.757 5.255 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2)cs1 917562735 JGKQSSPOWKUOSV-LFIBNONCSA-N 488.996 6.956 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)c1C 917670459 WVQOSLVANOPUAQ-RUZDIDTESA-N 490.673 5.138 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc([C@H]3C[C@H]3C)o2)C1=O 917675624 SAORLIZXKZDAPA-YQOVMPOYSA-N 489.597 5.572 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccsc1 917702965 KDFTXGVUKRXSIF-HXUWFJFHSA-N 482.537 5.058 30 20 JKED CN(Cc1ccccc1CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCCCC1 918470866 IMVMZWOCUUJXFQ-LJAQVGFWSA-N 494.639 5.361 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc2cc(Cl)ccc2s1 918491564 CWVIMUKYGXEJDV-CYBMUJFWSA-N 464.399 5.393 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1csc(COc2ccc(Cl)cc2)n1 918711630 UIVKPXDWGAHRPB-UHFFFAOYSA-N 471.995 5.204 30 20 JKED COc1cc(/C=C(/C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c2ccccc2)ccc1O 919171167 WNRZLEOAJIDPAI-XQNSMLJCSA-N 480.520 5.236 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)cc1 919849941 LQODVANIPSMYSD-UHFFFAOYSA-N 487.357 5.227 30 20 JKED N#C[C@H](C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 920113686 LKJJKGUHICMZHO-FBCSTPJJSA-N 464.606 5.675 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4nc5ccccc5o4)CC3)n2)cc1 920139514 UBKGIJBPMAYEOI-LJQANCHMSA-N 458.543 5.053 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 920140632 FXPNDSYRWVTIEL-LJQANCHMSA-N 461.568 5.240 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(NC(=O)c4cccs4)n3)n2)cc1 920141170 DNIREIYRCQVQJV-MRXNPFEDSA-N 480.596 5.008 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](C)c1cc2ccccc2o1 920200007 BZZZSUGAYGHXKI-CYFREDJKSA-N 451.526 5.636 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@@H]2c2ccccc2)c1 920355171 LOYCIBZGLTWBSO-YMVVMYQSSA-N 491.657 5.072 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(C(F)(F)F)cn2)cs1 920362913 MCFAPNHRPGUJJJ-UHFFFAOYSA-N 473.402 5.706 30 20 JKED N#C[C@H](Cc1ccccc1)OC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 920422633 FTGYXUTUBUSEMG-IBGZPJMESA-N 458.315 5.351 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 920871488 VBPZVIUKBBIDEB-WAIKUNEKSA-N 497.567 5.361 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC2CCC2)cc1 920927591 RWMLXRAGTLCHHJ-HXUWFJFHSA-N 475.536 5.774 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cc(Cl)ccc1Cl)C2 1779273720 CRDUPOJSERTTLH-WHSBFGAESA-N 493.475 5.208 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1-c1ccc(C)cc1)C2 1781741207 MOBBDKWJRFMMNR-HTVKSSQMSA-N 460.618 5.002 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cn5ccc(Cl)cc5n4)CCC3)cc2)c1 1786040769 PSNGHCGORXTNGS-UHFFFAOYSA-N 497.986 5.240 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4OCCc5ccccc54)cc3)CCC2)c1 1786314393 NKWYIJXWJFGNEH-LYZGTLIUSA-N 493.607 5.765 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)CCC2)cc1 1786372788 XZWFELSZQCIIEZ-GOSISDBHSA-N 477.992 5.535 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4)cc3)CCC2)c1 1787724526 VFVBAJZLGAUGMT-HXUWFJFHSA-N 453.542 5.140 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc2)CCC1 1788988722 HTBWQCICTPEIIR-UHFFFAOYSA-N 477.992 5.619 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(F)(F)F)CCC2)cc1 1789453264 SVQCGJBYMITUEC-IBGZPJMESA-N 457.496 5.617 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cnn(C)c3Cl)CCC2)cc1)c1ccccc1 1789600915 VUSXNNLSHYCYEC-JOCHJYFZSA-N 474.992 5.018 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ncccc4C(F)(F)F)cc3)CCC2)c1 1789854034 MBTVXPGLCRTKDB-UHFFFAOYSA-N 464.447 5.034 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c5ccccc5n5ccsc45)cc3)CCC2)CCC1 1790000966 AJVIEKKLTKZFPX-UHFFFAOYSA-N 468.582 5.596 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)cc3)cc2)CCC1 1790151727 YGDRWWHQQYNKGK-IBGZPJMESA-N 473.548 5.227 30 20 JKED CO[C@@](C)(C(=O)Nc1ccc(C2(NC(=O)[C@H](C)S)CCC2)cc1)c1cccc2ccccc12 1790376201 BJWCMVPIZJNZBW-HFJWLAOPSA-N 462.615 5.154 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1790448437 LEIOSWUMSMYYFZ-NRFANRHFSA-N 481.637 5.124 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3(C)CCC3)CCC2)cc1 1790469943 ZQEYIOVWMKUFAK-QFIPXVFZSA-N 481.637 5.008 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)c(O)n1 1790784999 KDNQWQZLWYHRDZ-UHFFFAOYSA-N 494.473 5.048 30 20 JKED Cc1cc(C)n2ccc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)c2n1 1791002981 YBUXYVNIUXHBNY-UHFFFAOYSA-N 481.531 5.023 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)CCC2)cc1 1791253684 FJHSWPJLBHJBFC-REWPJTCUSA-N 495.664 5.370 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c(Cl)cccc34)CCC2)cc1)C(F)(F)F 1791304663 JLCMAYOGAKYQQV-UHFFFAOYSA-N 462.859 5.083 30 20 JKED C[C@H](NNc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792122245 MNECWKYWAOUVAL-SFTDATJTSA-N 481.600 5.067 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc2)CCC1 1792215622 XRCLBYUANMPZPE-UHFFFAOYSA-N 457.615 5.028 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(Cl)cncc5s4)CCC3)cc2)CCC1 1792230007 IJZNVEMJWDJDDI-UHFFFAOYSA-N 464.978 5.391 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1c[nH]c3cc(OC)ccc13)C2)c1ccccc1 1798554628 RFQUMEIPCQXLAR-SEUCSFBYSA-N 495.623 5.025 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(-c3ccccc3)s1)C2)c1ccccc1 1798555236 DWEACMHXPKCPRB-NDBXHCKUSA-N 483.637 5.259 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)cc1F)C2)c1ccccc1 1798556952 PDCOWZMQLDOTBR-STAYPELNSA-N 476.592 5.062 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)cc1 1799665352 LHMUYVPZUSCUBN-KOUNCHBCSA-N 459.933 5.037 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1802501411 XIJYHIDDPAGINU-RPLLCQBOSA-N 488.676 5.384 30 20 JKED CC[C@H](C)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1803369162 XEKGBBRCQAMJFI-ZSNHWWIQSA-N 479.624 5.237 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c[nH]c4cc(Cl)ccc24)C3)cc1C#N 1803838718 CTBOIPZDXLUKNA-WKCHPHFGSA-N 490.991 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1804375552 NQCDWFRBYWHLJI-AXBBTRAGSA-N 470.617 5.275 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1 1807479132 ZFPPHTHFOUVFOR-DGPALRBDSA-N 494.639 5.248 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1808159434 KZUIIIIGJBHSMF-QFQXNSOFSA-N 497.986 5.030 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)CC4CCCC4)C3)CC2)cc(C(F)(F)F)c1 1808938495 CERXTXYCXUWERB-UHFFFAOYSA-N 461.528 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@@H]1c1cccnc1 1810175201 XMBOSERIMFHEQE-BWLQLKEOSA-N 498.627 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@@H]1c1cccnc1 1810489100 JKYCEOBGTKJXOT-XUZZJYLKSA-N 462.638 5.086 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1811615996 BGUHNUMBUKYKEZ-DGPALRBDSA-N 494.639 5.104 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1811617174 OECVHOYLYAZDJA-DGPALRBDSA-N 494.639 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1811794436 MYENDUXOSVIQEO-AUSIDOKSSA-N 499.011 5.264 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1811893748 MRCJCWHBVLZWCY-JDXGNMNLSA-N 494.639 5.248 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)[C@@H]2c2cccnc2)c1 1811924530 NZXGUQULQWRJHP-KJYTXNCISA-N 480.612 5.021 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1813229369 MEARUVUMLDVIQC-CYFREDJKSA-N 472.416 5.210 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(C)s2)[C@H]1c1cccnc1 1813366776 MQVGRILINUVCPQ-DTNGHQKISA-N 451.636 5.163 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1813991065 PCOOFORRMWNOHE-BVAGGSTKSA-N 493.623 5.322 30 20 JKED Cc1csc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1815379962 QPSDGVJQFSGVLZ-LJQANCHMSA-N 456.688 5.137 30 20 JKED Cc1scc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1C 1816615879 RWAXFGZTJIIUIL-QRQCRPRQSA-N 461.591 5.335 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc(Br)ccc3c2)n[nH]1 1818985347 YEJHQDSTZZPMSL-FQEVSTJZSA-N 467.367 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)[nH]n1 1819307866 PATCAZLHWPIUTK-QUCCMNQESA-N 460.500 5.503 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]n2)c(Cl)c1 1821277379 YCNZLRWPPZNUTG-FQEVSTJZSA-N 468.344 5.208 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccoc34)n[nH]2)cc1C#N 1821543203 SYCZGVMZULUSDJ-HSZRJFAPSA-N 497.555 5.434 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(SC)cc2)n[nH]1 1822596880 PEQZLBXFSMOMBC-RBBKRZOGSA-N 452.624 5.135 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1sc3ccccc3c1Cl)CC2 1823085485 KTHYJXLJIMTPMV-STQMWFEESA-N 491.038 5.038 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)[nH]n2)c1 1823217289 KBZJUFPWNMLVBT-HOYKHHGWSA-N 494.555 5.311 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ncc[nH]3)cc2)n[nH]1 1823267896 PHBKGOAUOOBZSG-OAQYLSRUSA-N 460.582 5.098 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)[nH]n1)NC(=O)OC(C)(C)C 1823347685 FPQZAXHSYXGDIC-SJBKTWHCSA-N 499.656 5.030 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CC(c5ccccc5)(C3)C4)n[nH]2)c1 1823594610 IMYBEKMMDAMVPK-MNAZTIHHSA-N 493.611 5.465 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)cc1 1823685540 BATWBRKRHBHINN-VWLOTQADSA-N 481.999 5.217 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCC(F)(F)C3)CC2)cc(C(F)(F)F)c1 1823695149 CNFSDMNXNOQNAL-RXVVDRJESA-N 497.508 5.246 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824137445 KLEHNVYNEGGDFJ-HSZRJFAPSA-N 489.701 5.068 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccnc2Cl)CC1)c1ccccc1 1825086297 NNYQQFFRTQITLN-CLJLJLNGSA-N 492.063 5.094 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1825952990 VSHAHTQXKLRFJJ-IBVKSMDESA-N 489.660 6.060 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)c1 1826779962 ALLWWNFSJVMZJI-ANHREMPLSA-N 496.655 5.170 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2noc3ccccc23)CC1)c1ccccc1 1827087363 GIQWTIICWIJPDT-LEAFIULHSA-N 497.639 5.187 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1828338681 CJLJKHMPQIJGAB-VWLOTQADSA-N 476.020 5.177 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)CC1 1828599360 JRJBOGOZQSQDGE-RDTXWAMCSA-N 495.508 5.215 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1828772331 BTYQSWAJMHQCRW-GBXCKJPGSA-N 495.714 5.353 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1828822075 VVCQBBQRQDUIOF-SHQCIBLASA-N 461.650 5.407 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 1828823079 OMXZDNBWSIXIEA-NHCUHLMSSA-N 463.544 5.102 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1828906467 NTYMOEJAVSTNGT-AREMUKBSSA-N 495.715 5.591 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)C/N=C/c4ccco4)CC3)sc2c1 1828998354 AGIKFIBANBRZPP-TUJXVDMFSA-N 477.630 5.155 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cc(Cl)ccn23)CC1 1829067877 ZBWVIPNZIGPXAK-OAQYLSRUSA-N 471.045 5.213 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1829068688 KTTVCSIRMAHUTH-HSZRJFAPSA-N 469.626 5.058 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765457 BSFCUUILJSLPRA-LVXARBLLSA-N 495.067 5.732 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3F)CC2)cc1C#N 1829893187 OTSNBLRXJOKBRE-DEOSSOPVSA-N 495.570 5.171 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1830420543 CTYJSTLUBJVMJM-AMGIVPHBSA-N 475.633 5.388 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830632553 QLDPBRWGWDQFBQ-MHZLTWQESA-N 457.618 5.423 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830708297 RNCODMKGKQZTCP-HHHXNRCGSA-N 474.670 5.626 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1831858777 KXANOFSMICQTMA-MUUNZHRXSA-N 467.613 5.711 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(C)snc3s2)CC1 1832028612 YTJKSPKWQSITDF-FQEVSTJZSA-N 457.665 5.093 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832634797 VZKWUUREJJIUEV-QDPGVEIFSA-N 471.645 5.488 30 20 JKED CCCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)CC2)cc1 1838608983 RPIDYZAKJIGMOM-UHFFFAOYSA-N 494.035 5.090 30 20 JKED C#CCCCC(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1846374473 MSGPVGDIXURYPK-UHFFFAOYSA-N 452.554 5.253 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1 1847470022 GXKICKNYFGZLQD-VUCUJVDMSA-N 490.047 5.320 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(Cc2ccccc2)cc1 11257037 KCGOWZLPVYJQLO-UHFFFAOYSA-O 472.033 6.578 30 20 JKED CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)nnc1C1CC1 14065382 DIBYVOHJTCOBMO-OAHLLOKOSA-N 457.669 5.380 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(Br)cc1 17703844 FMJYEKHXMJHQAF-OAHLLOKOSA-N 482.407 6.105 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 22180893 SSSFAUPFZSQMOA-UHFFFAOYSA-N 485.900 5.436 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22695515 LSMPSIGVCQJIRH-UHFFFAOYSA-O 495.668 6.631 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1 22729620 SUUWXNWAPCLRRJ-UHFFFAOYSA-O 451.615 6.233 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3sc(-c4ccc(Cl)cc4)nc3C)n2)n[nH]c1=S 23041902 FZCOUNLIWLCZRU-UHFFFAOYSA-N 489.051 5.512 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccncc1 23338881 FPBVKGLPTGIBPI-LJQANCHMSA-N 486.576 5.204 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2Br)o1 23964494 RLHMAEBKDMNZMP-ZDUSSCGKSA-N 464.410 5.256 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 26115104 MEQPMLGNCGNZOV-CQSZACIVSA-N 472.401 5.279 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1/C(O)=N/c1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 30571078 BHALRMFWWRYTRQ-VXGBXAGGSA-N 481.405 5.659 30 20 JKED C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 32045360 NFTOFHPTRKMFPG-FQEVSTJZSA-N 482.609 5.266 30 20 JKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)n2)cc1 105547699 WNFLHQLELVXFTK-UHFFFAOYSA-N 490.614 5.447 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1F 255930854 OTWYDGRZBFAUFD-UHFFFAOYSA-N 467.353 5.220 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 303082591 WEINNIPXVSZTBQ-UHFFFAOYSA-N 479.349 5.045 30 20 JKED Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(-c2ccccc2Cl)n1 303395528 YWKNBCFUAKVHSF-INIZCTEOSA-N 453.354 6.007 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(NC(=O)CCC)cc1 409513482 MNKGMCXTIHRJMD-UHFFFAOYSA-N 462.363 5.225 30 20 JKED CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)s1 481918797 JTUCBQAVHNBYLK-UHFFFAOYSA-N 474.567 5.424 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1C 494570692 UMUPTUCOWIEMKK-UHFFFAOYSA-N 479.588 5.318 30 20 JKED C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)c1ccc(C#N)cc1 505317984 LEAYFXUZVUEOMV-OAHLLOKOSA-N 452.436 5.712 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1 508276761 WEFSHRJULBYJAT-UHFFFAOYSA-N 484.487 6.007 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)CC2)cc1 511162140 UNAWJAWHFXRNBS-UHFFFAOYSA-N 471.508 5.050 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)cc1 512530537 KZWXNEHFLWVAMI-UHFFFAOYSA-N 471.003 5.821 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 512860893 LCNPCHLAQGFERO-UHFFFAOYSA-N 460.584 5.982 30 20 JKED CN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 514636662 UHJHSPBWAZVNGC-UHFFFAOYSA-N 467.953 5.354 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 514647196 JLAWKFWTTLOAKL-GOSISDBHSA-N 498.396 6.021 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1OC 515179518 FCDZBQIEBABHJQ-NRFANRHFSA-N 489.597 5.175 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)c2)c1 516439363 LZQMHLDZNCPMQV-LJAQVGFWSA-N 489.575 5.566 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cs1 517461696 LYDCWYGIAJEFJS-UHFFFAOYSA-N 494.520 5.503 30 20 JKED O=C(N[C@H]1CCc2ccc(F)cc21)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 519352216 YWRDESQJWVQYAN-HNNXBMFYSA-N 492.782 5.515 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1)c1ccccc1 520428871 AOEGPHUOWCEZAA-MAUKXSAKSA-N 461.493 6.113 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 520539357 BPOCHTAJNGJLRA-HNNXBMFYSA-N 461.518 5.792 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 520804322 JSDDISWXALXEQK-UHFFFAOYSA-N 473.529 5.443 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2)cc1 521431788 UBOBNPSOAICJGL-UIOOFZCWSA-N 459.521 5.513 30 20 JKED C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 521686377 YVQRUPGECKPINH-OAQYLSRUSA-N 459.565 5.508 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccccc1 603759035 RSGGCXCLVIMEEU-QFIPXVFZSA-N 454.917 5.102 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cn2)c1 603809901 HAOLONSONGXCJB-UHFFFAOYSA-N 467.485 5.263 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)s2)cc1 604468247 UVLQMXAUEBDYFU-KRWDZBQOSA-N 485.038 5.003 30 20 JKED C=CCN(C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604515976 CLTWZUZGFDHVKO-UHFFFAOYSA-N 482.974 6.328 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 608794047 GPZGMQKRCDEVPT-FQEVSTJZSA-N 487.579 5.433 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC2(c3cccc(Br)c3)CCC2)cc1 608798396 FEBDFESQWPQMDR-UHFFFAOYSA-N 490.357 5.247 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCCc2ccc(OCc3ccccc3)cc2)c1 608804653 VEJBMBMZFKOXIJ-UHFFFAOYSA-N 452.510 5.282 30 20 JKED CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)CC1 608905502 ZOXQMSCMNIIALX-UHFFFAOYSA-N 495.023 5.402 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609111300 FOJPPMBFDQZLGS-AFMDSPMNSA-N 485.559 5.214 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 609427583 MEDNDBQIFMXKCZ-RBUKOAKNSA-N 471.648 5.205 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612806165 VYSUHELSJOAMLU-VXGBXAGGSA-N 498.361 6.135 30 20 JKED CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620051128 HHQAVQHKTZZUON-QWRGUYRKSA-N 494.354 5.068 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(SCc2cn3ccccc3n2)cc1 644489261 ZLDCIYGFRNKRAS-UHFFFAOYSA-N 465.500 5.427 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](c2ccccc2)C2CC2)cn1 726112286 NFVFRKABFYZFER-UKILVPOCSA-N 487.629 5.323 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccsc2)C1=O 726113092 YCFRJQMYRCVMLR-RTGZZVAKSA-N 499.061 5.176 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](c2ccccc2)C(C)C)cn1 726113251 RBDVLDGQZBRQFD-VWNXMTODSA-N 493.608 5.400 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@H](C)OC)c1 726413541 UCQDYUPNDSODKD-AOMKIAJQSA-N 484.021 5.015 30 20 JKED CCOc1ccc(CN(CCCn2ccnc2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1 726446264 WOJJDYSSFHVYQU-UHFFFAOYSA-N 453.999 5.096 30 20 JKED C#Cc1cccc(N/C(S)=C(C(/O)=C2/N=C(C)C(C(C)=O)=C2C)\[n+]2ccc(C(CC)CC)cc2)c1 726572874 QIXPTRROCAYABT-UHFFFAOYSA-O 486.661 6.177 30 20 JKED C[C@H](NC(=O)COC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 726691249 AUJBJDTVOJRNLU-AWEZNQCLSA-N 473.312 5.071 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 726754410 GLHJIFSODZBGIK-UHFFFAOYSA-N 478.383 5.474 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(CC)Cc2ccc(C(=O)N(C)C)cc2)c1=S 728284968 BKVZCJPTZZQVEW-UHFFFAOYSA-N 470.042 5.102 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)cc1 729069292 HZNWFEJDQSAEHM-INIZCTEOSA-N 470.360 5.221 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729146232 QEXMBCFSFBROAC-FPOVZHCZSA-N 459.974 5.088 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ncccc2C)C1=O 729634574 OKEPYDZZJATBHP-XMMPIXPASA-N 488.613 5.339 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)c1 729670701 VNLIIRCTGGRNKB-UHFFFAOYSA-O 477.606 5.191 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(C3CCC3)C2=O)cc1 730459068 GBIHVIWNIXXMRO-OAQYLSRUSA-N 469.994 5.364 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CCC2)cc1F 730460743 DHRGMPJPJIBHCK-IBGZPJMESA-N 490.398 5.409 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(C)c2)s1 730710604 OQJZZUQBLRWMKS-FXAWDEMLSA-N 479.631 5.185 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 730718800 PVVBUAGUDCBRLC-OXQOHEQNSA-N 479.631 5.130 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731307170 PZIYIBTVZVLYGB-IBGZPJMESA-N 471.991 5.268 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCC1CCCC1 731312951 RFVVPKSAXWPORQ-HSZRJFAPSA-N 476.602 5.195 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cc(Cl)c2c(c1)OCCCO2 744739055 CWIPDCZKYOYRDJ-UHFFFAOYSA-N 455.754 5.238 30 20 JKED CC(=O)CCc1ccc(OCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 745312674 BXIHASVZBMUOCH-KSJZQUJJSA-N 462.615 5.388 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 749750922 HRACREKAGNSGGE-PXNSSMCTSA-N 473.627 6.008 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CC(F)(F)F)C2=O)cc1Cl 799213222 QBKIRFJSOKTGIC-INIZCTEOSA-N 473.879 5.310 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(OC)c3)N(Cc3cccs3)C2=O)cc1 837361760 GACAADOWWSFVQZ-JOCHJYFZSA-N 495.626 5.316 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C3CC3)CC2)c(C)c1 837427256 PQXDKEWHESBZAU-DEOSSOPVSA-N 494.636 5.030 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1cccc(C#N)c1 840081212 RGIXEMOZYGIQDK-XMMPIXPASA-N 485.927 5.177 30 20 JKED COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1 857503442 HLZLTXMUQOBEOD-IBGZPJMESA-N 463.349 5.079 30 20 JKED C#CCN1C(=O)c2ccccc2N[C@H]1c1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1 877849024 DQRKGRVTMZYXKI-XMMPIXPASA-N 454.530 5.295 30 20 JKED O=C(c1ccc(OC(F)F)c(Br)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 883978154 GUHUCAIPJXRGEG-DTORHVGOSA-N 470.154 5.253 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2ccccc2Br)no1 904967081 XAUQOXDMEBDPRS-UHFFFAOYSA-N 479.128 5.111 30 20 JKED CC(C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccc(Cc2ccccc2)cc1 912836290 LNWQRRBFPCEQBE-UHFFFAOYSA-O 488.677 5.571 30 20 JKED FC(F)Sc1ccc(NC(=S)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 914707599 XAJXGWZFZKWDDM-IUCAKERBSA-N 452.436 6.197 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccc(F)c1 914773102 XFCDLMTZTBQMBM-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(OCc2ccncc2)cc1 915943892 MTDZSSCGHKQPEY-UHFFFAOYSA-N 452.539 5.290 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccccn3)C2=O)c1 916207525 GCECMIPMWDGIMF-XMMPIXPASA-N 472.614 5.476 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccccn3)C2=O)cc1 916210241 CYGVHCLTCIVXTE-DEOSSOPVSA-N 486.597 5.062 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 916213088 YJGAKJKEXCCDRV-IBGZPJMESA-N 463.525 5.774 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cn(CCC#N)nc1-c1ccccc1 916272593 DAKQEYJNCIIDAQ-UHFFFAOYSA-N 498.999 5.746 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916888271 VHBSVWYEBVQZLA-INIZCTEOSA-N 485.375 5.345 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916904932 GBCQWBSLMCXDND-KRWDZBQOSA-N 466.925 5.208 30 20 JKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916909158 OYHJJNPOVPXCRV-VOQZNFBZSA-N 453.498 5.035 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 916928261 IOXDPNPIPOYSNJ-QLTUCANCSA-N 495.206 6.392 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1 916950258 SMUGSTJQJZMYEV-UZUQRXQVSA-N 496.007 5.062 30 20 JKED C=CCn1c(SC[C@@H](O)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1 916983879 YCWHLSYNFWPNRS-QGZVFWFLSA-N 455.889 5.509 30 20 JKED N#C[C@@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996179 HOLVWDBTHSRESR-KRWDZBQOSA-N 483.380 6.366 30 20 JKED Cc1ccc(SCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)c2)c(C)c1 917018536 PUSGHKDXVZLCKK-XMMPIXPASA-N 485.609 5.259 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)cc1 917044360 STTBYFMDACZGPV-JKSUJKDBSA-N 465.884 5.412 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)C(=O)Nc1ccc(Cl)cc1 917425222 UYQFRIOGNUNNSN-AWEZNQCLSA-N 480.796 5.178 30 20 JKED C#CCN1C(=O)c2ccccc2N[C@H]1c1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 917503792 YTGNEAXLMRVTJS-HXUWFJFHSA-N 470.476 5.046 30 20 JKED O=C1/C(=C/c2ccc3c(c2)CCO3)CC2(C/C1=C\c1ccc3c(c1)CCO3)C(=O)Nc1ccccc12 917517838 LSKRVAPKHAEVHI-DFEHQXHXSA-N 475.544 5.276 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C(=O)c2nc3ccccc3s2)c2ccccc2)cs1 917559324 IBKIAJBGSQMCNZ-PXLXIMEGSA-N 499.592 7.000 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)ccc1OC(F)F 917563639 QRBGVIJUJDQMDH-RMKNXTFCSA-N 462.449 5.473 30 20 JKED COc1ccc(N2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 918037138 JQKWGZPEVXUGDX-RUZDIDTESA-N 474.992 5.748 30 20 JKED C=CCN(Cc1ccccc1F)Cn1nc(-c2ccc(F)cc2)n(C[C@@H]2CCCO2)c1=S 918182412 PXVAMQJHOOHLPX-NRFANRHFSA-N 456.562 5.184 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1 919666346 KDQZEFPYDXJZNK-HSZRJFAPSA-N 459.571 5.233 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 920102181 RGZFCDVMHQRRCM-FQEVSTJZSA-N 452.539 5.450 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c(OC)c1 920103290 TUJYOYCAORTCPE-OAQYLSRUSA-N 464.525 5.537 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 920140823 JZFRDEKEGYMXAC-LJQANCHMSA-N 458.930 5.799 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CCc3c(Cl)cccc32)cc1 920171228 TUAGBULTMCKDQK-VXKWHMMOSA-N 484.021 5.026 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)cc1C 920172732 KKQRBEAAMAKPLK-JOCHJYFZSA-N 491.569 5.064 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc3c(c2)CCC3)cc1 920176505 SMRVPHVJEWYGAB-RUZDIDTESA-N 498.583 5.347 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920804394 QBJRJOQYQWKLTP-UGKGYDQZSA-N 487.531 5.826 30 20 JKED C[C@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 920907498 GJSVVJCVSDRADB-AWEZNQCLSA-N 474.395 5.189 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1Cl 921132292 PIGCAWTVCSLFEK-LLVKDONJSA-N 466.371 5.457 30 20 JKED C=CCN1C(=O)N[C@H](c2ccc(O)c(Cl)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 921294601 KUIXHJQVLGHKRI-LJQANCHMSA-N 465.859 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CCO2)C1 1779244443 QVAFVVCAPXSJPZ-VAVYLYDRSA-N 496.598 5.321 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1sc3ccccc3c1Cl)C2 1779510340 GAAJFRJKIUSJLC-FQRUVTKNSA-N 489.081 5.675 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cnc5ccccc5c4)cc3)CCC2)cc1 1786034681 GOPJJYPHIHWAIH-UHFFFAOYSA-N 488.591 5.681 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc4ncc(Br)cc4c3)cc2)CCC1 1786282643 PNHWQWHQXUTJTP-UHFFFAOYSA-N 490.401 5.087 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)cc2)CCC1 1786308502 HGYIODCIUMJGEJ-VWLOTQADSA-N 489.616 5.108 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ncc(C(F)(F)F)cc3Cl)CCC2)cc1 1786677946 AWCXGADTNXGHFM-UHFFFAOYSA-N 483.943 5.421 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cc1 1787768056 QYIPFNVGKXNGOU-UHFFFAOYSA-N 473.960 5.211 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)CCC3)cc2)c1 1790076019 YJFFCIRWSSSTPR-CLJLJLNGSA-N 465.553 5.118 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cc5cccnc5cc4F)CCC3)cc2)cc1 1790289611 GCAWUCKJPZDXIP-UHFFFAOYSA-N 478.527 5.236 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)(F)F)c4)CCC3)cc2)cc1 1790703596 UCXYOKIYQWNNNC-UHFFFAOYSA-N 478.474 5.228 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5c(O)cccc45)CCC3)cc2)cc1 1790708648 LMYLHMSLCYEIRR-UHFFFAOYSA-N 476.536 5.068 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)cc2)CCC1)C(F)(F)F 1790843636 IMKWBPYQHFEQHS-UHFFFAOYSA-N 496.411 5.219 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccccc4C)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681415 QOKZQNHAQSWZFT-DEOSSOPVSA-N 489.616 5.308 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(N5CCCC5)ccn4)CCC3)cc2)c1 1792123857 RKPSJOOZZCBAQP-NRFANRHFSA-N 493.611 5.370 30 20 JKED COc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)c1F 1792200775 RYORZNZGOPQRIL-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3C(F)(F)F)[nH]n1)C2 1798591603 BXCLCWVVEJXGMX-BCDXTJNWSA-N 488.554 5.340 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(F)CCCC=C1F)C2 1800504666 YYFMTKXERGFMQL-MNGFJMBLSA-N 474.551 5.084 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c(Cl)cc1F 1800626444 NCVRCZJNGUUUEX-FZKCQIBNSA-N 483.809 5.262 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)[C@H]1c1cccnc1 1802502669 LCQLXPOCDQAVRK-RDPSFJRHSA-N 497.039 5.005 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1802503782 UFRXAMDULBDSBO-FDDCHVKYSA-N 497.064 5.657 30 20 JKED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C4CCCCC4)c(C(F)(F)F)c2)C3)CCC1 1804112658 VYXDJRXXXXFCGF-WKCHPHFGSA-N 487.566 5.699 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@H]4CCc5cccc(Cl)c54)CC3)C2)cc1 1804762317 MFVIBCWAWBPNDY-DEOSSOPVSA-N 490.047 5.105 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)s3)[C@H]2c2cccnc2)c1 1805530043 JNSWMTGLNYFBKC-AYPBNUJASA-N 479.005 5.057 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)C2)CC1 1805937811 HGBGTYDJZJTRAH-RPWUZVMVSA-N 452.639 5.022 30 20 JKED N#CCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)[C@@H]1c1cccnc1 1806286092 ZPEHMBUSQCZJHN-MUAVYFROSA-N 490.563 5.260 30 20 JKED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1806622928 WPJDHUCWFJQJNR-IGYGKHONSA-N 485.587 5.120 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808487799 IBRPVRGKYRTMTL-WXVAWEFUSA-N 490.003 5.508 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1809397435 VGFJHYWPFODURS-SQJMNOBHSA-N 477.008 5.304 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)CC1 1809632432 SVRSZEAPVOWQBT-DAANFHMWSA-N 475.677 5.364 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810070292 KSDUUDYIROTBKD-NTKDMRAZSA-N 479.024 5.528 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1810179108 XOXOPTUYQNXRMZ-NOXFTYBFSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(C)s2)[C@H]1c1cccnc1 1810502279 GPRKPRAHHINLIN-HFXZDLCHSA-N 451.636 5.163 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1811287303 UEMGXSHPJGLNRD-GCJKJVERSA-N 494.567 5.080 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[C@H]2c2cccnc2)C1 1811366814 DVCOZHFZPNJMLL-YCRPNKLZSA-N 495.904 5.179 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c1Cl 1811421397 ZHJKMPCMQJGBSU-JPYJTQIMSA-N 497.357 5.033 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811749096 LNHMVQGGIUPNCC-XZOYJPPVSA-N 467.013 5.143 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1Cl 1813864096 URXLGKSNKXXZGD-LNXUECGXSA-N 487.003 5.304 30 20 JKED Cc1scc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c1C 1813865559 TTXPQKAQFCCOJD-FIMBPPNMSA-N 472.614 5.020 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813963259 NWKMBPBAXKRYMS-XXBNENTESA-N 489.513 5.328 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)cc1 1814379658 KEBAYHAEAAVNMV-IVYUTVGYSA-N 493.567 5.366 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1814444094 TWNLGRMZQPPNAW-FQEVSTJZSA-N 451.596 5.318 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)[nH]n1 1814827586 ZHIZPMILQIAYPB-VWLOTQADSA-N 499.615 5.555 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1815248080 ZNAWQDNQTVQIAJ-QAPCUYQASA-N 499.862 5.086 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1 1817744274 RUASFMOALDXJMU-VWLOTQADSA-N 490.567 5.272 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)cc3cc[nH]c23)n[nH]1 1818610562 ZMWIQVKDVRUCSX-LIRRHRJNSA-N 484.398 5.172 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818813311 SAERZOLMLCNAMJ-RGPPVUSESA-N 465.513 5.047 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(Cl)s2)[nH]n1)c1ccccc1 1819518638 BMWSKKLPFSAMAQ-PKOBYXMFSA-N 482.009 5.023 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)[nH]n1)c1ccccc1 1819518713 YONNGMKUWCVYLM-GMAHTHKFSA-N 485.613 5.227 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1819552981 LZSQXQRLQYHOGQ-NOZRDPDXSA-N 491.680 5.306 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2Cl)N(C)C)[nH]n1 1819555948 LWGXZPJPLXCBKW-JTHBVZDNSA-N 486.060 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)[nH]n1 1819557031 UGLHHBZAALEIKR-JOCHJYFZSA-N 451.615 5.039 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820088023 IJULJEYSASDZPA-AUSIDOKSSA-N 498.587 5.620 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217748 NCFXNVBBGPHZKY-FQEVSTJZSA-N 465.916 5.002 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1820973283 DYYLRZNDOCCCRV-YADARESESA-N 489.576 5.309 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)cc2c1 1821278192 OWWIJBIHLMJYJL-HSZRJFAPSA-N 486.963 5.344 30 20 JKED CC1(C)CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)C1 1821311228 UYDAQCZTHGXLKL-IBGZPJMESA-N 473.499 5.042 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)n[nH]2)C1 1821349165 LOPFSIKCKHWBPW-OAQYLSRUSA-N 490.526 5.403 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1821925072 MKNVFUIAEOJQRO-ACJLOTCBSA-N 452.452 5.086 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(Br)cc2F)[nH]n1 1821926587 SMAMHSVNPIKUGS-YWZLYKJASA-N 491.405 5.148 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1821987471 YAHWIHMEUGZLIL-IBGZPJMESA-N 494.502 5.063 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3c[nH]c4ccc(F)cc34)n[nH]2)c1 1822260896 QGIIGTKIPQLAEX-VWLOTQADSA-N 498.562 5.149 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1822579534 FKDUVDIGVQYFPC-VWLOTQADSA-N 469.589 5.280 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1823887960 SHBLERNDOFRPSE-VWLOTQADSA-N 479.571 5.415 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1 1824053960 BFMQJRAWEIEDKO-AFDBTRFSSA-N 499.655 5.223 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sc(C)cc3[nH]2)CC1 1824143867 SUAUXGVXANEUEC-QHCPKHFHSA-N 453.652 5.540 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1824497991 LTYROBGEYAJGNP-RDPSFJRHSA-N 461.046 5.046 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)c1 1826569700 NFDDSUZKBKHDPQ-RUZDIDTESA-N 464.009 5.078 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccs3)CC2)cc(C(F)(F)F)c1 1827160308 PEVSFCLHEYJLQI-QFIPXVFZSA-N 489.563 5.115 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827265825 FPZWIYVMAXKXOS-UZLBHIALSA-N 460.043 5.395 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827344341 RZISOSKXBHLZGZ-MBSDFSHPSA-N 470.013 5.441 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccoc3c2)CC1 1827498964 CFXISCANYKFPJP-DEOSSOPVSA-N 479.697 5.112 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828332889 WXTPLXJCOMZCHR-JOCHJYFZSA-N 480.033 5.168 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)C3)CC1 1828825433 VXYIDRAZXOBXOG-NOZRDPDXSA-N 464.650 5.402 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2OC)CC1)c1ccccc1 1829486399 BFFOWAUKCVQCMO-DNQXCXABSA-N 478.658 5.187 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1830015956 XVBXIVXFXJAPBT-IBGZPJMESA-N 476.429 5.474 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)ccc1F 1830361167 ZDLQQSGRRBGQPE-MOXRBOSHSA-N 493.667 5.466 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1830448172 XXWSINHZQXHWAM-LJAQVGFWSA-N 492.623 5.476 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830722543 MTHSSHHBFMWJEA-SANMLTNESA-N 494.035 5.548 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830730323 FFMQBOXAWFPZJH-OAQYLSRUSA-N 485.427 5.349 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059955 SWXQYBYEHXDGBQ-VWLOTQADSA-N 454.570 5.233 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1831201264 WWSZWALNRKJKIG-WKJACJRRSA-N 499.655 5.659 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C)c2)CC1)C(F)(F)F 1831453350 QQNJKWMTYIXDIH-IBGZPJMESA-N 487.360 5.109 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831716971 OXAMANDOQSGPFX-GVAUOCQISA-N 499.493 5.366 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2SCc2ccccc2)CC1 1831857596 QESLYLXMQGLKCU-XMMPIXPASA-N 463.647 5.183 30 20 JKED COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1832538766 FWNRTJQTSFMXKS-FQRUVTKNSA-N 473.617 5.178 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc(C)c1O 1832582820 KPPFBFFGSNARDZ-RLWLMLJZSA-N 473.617 5.183 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1F 1832703476 LSDVSOMHPYBCQO-SANMLTNESA-N 491.607 5.340 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CCC1 1832783443 ZRHQCWVMCFAWOI-JOCHJYFZSA-N 480.008 5.527 30 20 JKED C#CCCCCC(=O)N1CC2(CCCN2C(=O)c2c(Br)cccc2-c2ccccc2)C1 1844725008 YVBQWBXCPZUGSC-UHFFFAOYSA-N 479.418 5.127 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(F)c(F)c1CSc1ccccc1 1847826970 RZHIGXOFUKNJEP-FUDKSRODSA-N 490.641 5.027 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccccc2Cl)cc1 10825428 CJUIHZJMCSFKEI-UHFFFAOYSA-O 464.825 6.548 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 11077984 CETHTXUNGAUVTO-UHFFFAOYSA-O 464.463 6.573 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2cccc(Cl)c2C)cc1 11258479 PCXOIAROCCADHE-UHFFFAOYSA-O 485.029 5.281 30 20 JKED Cc1sc2nc(S[C@H](C)C(=O)Nc3ccccc3C#N)n(C3CCCC3)c(=O)c2c1C 11386756 KIPHDMADYWWQCM-OAHLLOKOSA-N 452.605 5.181 30 20 JKED C=CCNC(=S)Nc1ccc(Cc2ccc(NC(=S)NCC=C)c(Cl)c2)cc1Cl 16187806 OQHMKEXFSHBXFN-UHFFFAOYSA-N 465.475 5.529 30 20 JKED N#Cc1ccc(F)c(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)c1 21480774 IMAALMCXYSJTMJ-UHFFFAOYSA-N 466.339 5.395 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nc2sc(C)c(C)c2c1=O 23404926 OAHSQHKOTNUPKQ-CYBMUJFWSA-N 478.437 5.143 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 23555119 OUMHJDNZDNKGQA-UHFFFAOYSA-N 466.588 5.844 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)o1 59368064 PRMKOKUAKSDDSE-UHFFFAOYSA-N 455.495 5.530 30 20 JKED CCc1cc(C#N)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)s1 59829045 GHYDPDPUSRKETD-UHFFFAOYSA-N 463.563 5.300 30 20 JKED Cc1cc(-c2cc(C(=O)N(CCC#N)Cc3ccccn3)c3cnn(C(C)C)c3n2)c(C)s1 303210470 OLWWMBUCBFTPIE-UHFFFAOYSA-N 458.591 5.309 30 20 JKED CCOc1cc(Br)c(CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OCC 303332434 JWRUSHBTGBTVTB-OAHLLOKOSA-N 477.424 5.822 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCN1c1ncnc2sccc12 484276077 BHOWOOVDHBEKAB-QHCPKHFHSA-N 469.570 5.058 30 20 JKED COc1cc(C(=O)N(CCC#N)Cc2cccnc2)ccc1OCc1ccc(Cl)cc1Cl 490186614 DGJOCSFXWPNCFN-UHFFFAOYSA-N 470.356 5.532 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)cc1[N+](=O)[O-] 505132297 YTUCAOPPZYOBPV-KRWDZBQOSA-N 493.589 5.372 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccc(OC4CCCCC4)cc3)c2)c1 507094715 NORXLAACVIPGIJ-UHFFFAOYSA-N 483.568 5.104 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)cc1 508289279 OOQBLHBOVWVPKN-FQEVSTJZSA-N 472.545 5.016 30 20 JKED C[C@@H](C#N)CN(C)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 510020348 RMJWJYIFKOTWBZ-JTQLQIEISA-N 450.408 5.395 30 20 JKED CC(C)OCCCNC(=O)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510045252 OAJCAXCSZXKXRK-XMMPIXPASA-N 497.039 5.171 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 510889002 YXTGGZFPSIUVRQ-DEOSSOPVSA-N 457.530 6.045 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 510889176 VEIIVBAQQBDHRB-UHFFFAOYSA-N 474.948 5.302 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 511846540 UWWIUEXWNKVNBU-AFMDSPMNSA-N 453.542 5.289 30 20 JKED Cc1ccc(I)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 512234475 MTYSEEUTQUOFNB-UHFFFAOYSA-N 482.321 5.497 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1[N+](=O)[O-] 513653939 IBCTYEGQZKZZCZ-INIZCTEOSA-N 496.614 5.812 30 20 JKED Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)cc1 513835224 JDFYWPPTANJNEW-UHFFFAOYSA-N 468.513 5.762 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)c1 517108235 YMBVCIZTRIREKT-UHFFFAOYSA-N 483.572 5.264 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1[N+](=O)[O-])c1ccccn1 519028832 YTZAQLFXJMZJAA-GOSISDBHSA-N 479.496 6.079 30 20 JKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@H](C)C#N)cc1OC 519443988 UBYDAFGEVFRYTE-SQVRNEIYSA-N 455.558 5.361 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1cccc(Cl)c1 520431260 AZFOLZGNDDKEDW-HNNXBMFYSA-N 454.889 5.726 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 520854179 FRISZUMRIUHRKF-IAGOWNOFSA-N 473.440 5.349 30 20 JKED Cc1cc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3-c2ccccc2)n(CCC#N)n1 523317397 KFHABUZARALKLL-UHFFFAOYSA-N 467.558 5.128 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3c3cccc(Br)c3)o2)cc1 524415612 HQQICILGRLRJEQ-NRFANRHFSA-N 451.320 5.470 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cnn(Cc2ccccc2)c1 524440005 UIEHFCBBMVEEOS-UHFFFAOYSA-N 451.530 5.012 30 20 JKED COc1cc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)ccc1OCc1cscn1 570188207 YMGVKMODCVDUDG-UHFFFAOYSA-N 455.539 5.449 30 20 JKED COc1ccc(-n2c(SCCC(=O)Nc3ccccc3C#N)nnc2-c2ccccc2)cc1Cl 589913972 OCCSPTJLMOMLIW-UHFFFAOYSA-N 489.988 5.589 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccccc3Br)o2)sc2c1CCC2 589942234 SHRUFYYVUIWLCB-UHFFFAOYSA-N 475.393 5.042 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604155600 AOGPILABQFWWSD-UHFFFAOYSA-N 487.865 5.620 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1C 604450384 CPQPFDVTTHSFHG-OAQYLSRUSA-N 498.656 5.209 30 20 JKED CCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609086555 KANWFKKONDSXCX-UHFFFAOYSA-N 461.949 5.168 30 20 JKED CSc1cccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)c1 609378577 WIZJVYSBEZRIMP-AWEZNQCLSA-N 479.549 5.425 30 20 JKED CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 613407295 PENFIXGHZOJFQR-IBGZPJMESA-N 488.034 5.393 30 20 JKED C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1[C@@H]1COc2ccccc2O1 613907635 JUFNFEBYRZAJFJ-DFBJGRDBSA-N 498.608 6.082 30 20 JKED CCOc1ccc(NC(=O)C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 620291347 HZLYZTUMBWAVFU-NXEZZACHSA-N 494.354 5.068 30 20 JKED O=C(c1csc(C(F)(F)F)n1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517141 ALJSIOXSNFXLLR-GFCCVEGCSA-N 478.336 5.413 30 20 JKED C=CCn1c(S[C@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)nnc1[C@@H]1COc2ccccc2O1 639395129 YCTVHBIJGGDIMR-DKLXNKCPSA-N 490.629 5.071 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc(C3CC3)nc21 642282246 XPUBVCCLMGCPML-HNNXBMFYSA-N 469.492 6.008 30 20 JKED O=C(NCc1ccc(COCC(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642682649 RQFYMQCDSVVRNA-KBPBESRZSA-N 480.371 5.474 30 20 JKED C=CCN(C(=O)COC(=O)Cc1ccccc1O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 725937979 JALYOXQKKPYXTJ-UHFFFAOYSA-N 477.369 5.127 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2F)cc1Cl 726407582 SYQUZRDHNRQLCX-JOCHJYFZSA-N 492.963 5.511 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N/[C@@H](C)c1cccs1 726421566 NXOCZPGYFDQQRE-AJHBCDHZSA-N 459.637 5.337 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Br)cc2)[n+]2ccccc2)cc1Cl 726571101 DPNHFQSTVXBKCQ-UHFFFAOYSA-O 471.787 5.585 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C/c3csc(N(C(C)=O)c4ccc(OC)cc4)n3)SC2=S)c1 726626684 JOARUJPRCKRLQF-BKUYFWCQSA-N 491.619 5.223 30 20 JKED CCCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccccc1 728146112 SKSIKNMHUKWXES-XMMPIXPASA-N 456.546 5.430 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c1 728181504 LJDIZTYZPGRNJD-YPKPFQOOSA-N 454.595 5.215 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2ccccn2)c1Cl 728429952 MCLJEEYKBCDUHP-GUYCJALGSA-N 477.417 5.058 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)c(Cl)nc3Cl)s2)c(C(F)(F)F)c1 728812589 HAVFXDUSKAMPED-UHFFFAOYSA-N 475.254 5.718 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)[n+]2cccc(O)c2)c1 730439939 HVQHASYTJLDXOV-UHFFFAOYSA-O 479.581 5.563 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccccc1Cl 730685656 BASNWNJMXUOYAW-GFCCVEGCSA-N 451.857 5.249 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1csc2ccccc12 730708779 IRPZHUNBSFKBAJ-NRFANRHFSA-N 487.610 5.160 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N([C@@H](C)c2cccnc2)C1=O 730942281 LJKUBKGHUUWASN-CVDCTZTESA-N 488.613 5.429 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)c3cccnc3)C2=O)cc1 730944766 FYKGMZYWLZSCRC-MHECFPHRSA-N 499.596 5.073 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 731059526 CVOCXMQOWIEBSI-KRWDZBQOSA-N 458.539 5.358 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 731074062 MNPGRKQOXIUPBP-LJQANCHMSA-N 488.613 5.466 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 746697182 AXISLUCRVXDJSY-HXUWFJFHSA-N 459.999 5.117 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cscn3)C2=O)cc1 747602026 XXNMUBNAVNGRQC-LJQANCHMSA-N 471.007 5.265 30 20 JKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(N2CCOC2=O)cc1 748583836 IRWLZDCOPYYXKT-XNTDXEJSSA-N 453.473 5.531 30 20 JKED Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNc1nc(-c2ccncc2)no1 750948289 KXFYQUHZINXFPW-UHFFFAOYSA-N 455.453 5.003 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CC(F)(F)F)C1=O 799218638 IINXIJMXFGKAPA-GOSISDBHSA-N 499.942 5.651 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC(F)F)cc1 799219175 OQEMDBSTYJCAFT-INIZCTEOSA-N 498.338 5.188 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1C 837401041 CFTCQQLRPSLXKK-AUSIDOKSSA-N 458.587 5.420 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 837477368 XCFKKNIWPIMHAE-BWKNWUBXSA-N 486.641 6.037 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837908398 WMHDLPYESUSCMZ-MBSDFSHPSA-N 493.032 6.073 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3ccccn3)C2=O)c1 838267662 SOGNTWQVTKJNMH-CYFREDJKSA-N 490.604 5.867 30 20 JKED N#Cc1cccc([C@H]2NC(=O)N(Cc3ccccc3)C(c3cccs3)=C2c2nc3ccccc3[nH]2)c1 839409860 NMTSVXVXVLNZCW-AREMUKBSSA-N 487.588 6.331 30 20 JKED CC(=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O)c1ccc(-n2cccn2)cc1 874044582 FZFDGZZGYZXWSI-UHFFFAOYSA-N 459.962 5.545 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 915086539 KWDHQFIMQCCXFQ-XMMPIXPASA-N 459.496 5.111 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 915088115 ZMOGNUCPFFQTGW-GDLZYMKVSA-N 473.576 5.986 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101903 OBXCINQEVWBZQP-QGZVFWFLSA-N 499.042 5.582 30 20 JKED COc1cc(/C=C\C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OCc1c(C)noc1C 915174853 DYMOGVONYQBREL-FLIBITNWSA-N 496.523 5.590 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1Cl 916207011 WNKRQIUDOXEYPZ-GOSISDBHSA-N 492.359 5.886 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccco2)C1=O 916212601 YZFSOPTXHUVZOO-JOCHJYFZSA-N 481.549 5.368 30 20 JKED CCCCCCC[C@]1(C)NC(=O)N(N=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)C1=O 916329544 NNZQIXFUVJSTPC-QHCPKHFHSA-N 490.029 5.486 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1NC(=O)c1ccccc1Br 916564639 PKAPQPPTQUOQMC-UHFFFAOYSA-N 489.822 6.245 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCc3ccc(N4CCCCC4)cc3)s2)cc1 916691686 BNTMHOWGCRPVRV-UHFFFAOYSA-N 478.647 5.057 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)COc2ccc(C3SCCCS3)cc2)cc1 916914328 KLPYWXCWKYRJFQ-QFIPXVFZSA-N 468.644 5.624 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1[C@H](C)c1ccccn1 917661385 CQAMAOOSNVCHHQ-DVECYGJZSA-N 487.629 5.178 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)c1 917677831 YPNIKMQXXJNVHE-HSZRJFAPSA-N 458.587 5.167 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc2ccccc2c1 917698926 NCIAINFIFOBSBK-JOCHJYFZSA-N 477.973 5.095 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1C#N 917704462 VRXWHKUSAKRVNT-KRWDZBQOSA-N 481.792 5.499 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 918318833 FNHBUMTXKYNVIL-RUZDIDTESA-N 460.537 5.078 30 20 JKED O=c1c2ccccc2c(-c2ccc(F)cc2)nn1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918733161 NYLDMMUSNSPIJR-GASCZTMLSA-N 473.392 5.223 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)NCc3ccccc3)cc12 919664371 GAVGIWCPFSVLGT-QGZVFWFLSA-N 497.407 5.400 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 920108938 BOZJOEPUGSUZIG-BLLLJJGKSA-N 492.359 5.757 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 920109347 DIWPBXDSOGYWSD-QFIPXVFZSA-N 468.488 5.038 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1nc(-c2ccccc2)cs1 920113171 BLFPCYNWRKPOMN-RDTXWAMCSA-N 456.354 5.346 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Br 920141652 LELOTZABLYRFIK-KRWDZBQOSA-N 466.360 5.262 30 20 JKED Cc1c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nnn1-c1ccccc1 920324614 QZDQFAGQCRYJMH-KRWDZBQOSA-N 468.369 5.425 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2c(C)noc2C)cc1 920355213 JGCXFLDWLXCYOR-HSZRJFAPSA-N 476.602 5.323 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 920359631 PJCDXYLGFCFYFS-VWLOTQADSA-N 498.608 5.283 30 20 JKED COc1ccccc1NC(=S)NN=Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 920359682 DRLMWDXCEZHBOD-UHFFFAOYSA-N 493.536 5.176 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(/C=C2/S/C(=N/C3CCCCC3)NC2=O)cs1 920397800 RGKDJIMKTFNBMJ-WOJGMQOQSA-N 494.564 5.739 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 920670732 IAMOOQVLMXFJFT-CYBMUJFWSA-N 490.368 5.324 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1C 920851285 FZCIDSCKTIQVOZ-UHFFFAOYSA-N 461.953 5.113 30 20 JKED N#C[C@@H](COC(=O)Cc1csc(-c2cccc(Br)c2)n1)Cc1ccc(F)cc1 920879927 ODFHZQPDBRRDAN-HNNXBMFYSA-N 459.340 5.180 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(=O)c5ccccc5o4)cc3)CCC2)cc1 1785999703 SRGGPSPFDFZRMA-UHFFFAOYSA-N 491.547 5.045 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C3=CCCS3)cc2)CCC1)NC(=O)OC(C)(C)C 1786415102 WDCDGWWYOISNFR-HXUWFJFHSA-N 485.650 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cn4ccc(Cl)cc4n3)cc2)CCC1 1789099874 DQTONUUWCPXZBX-OAQYLSRUSA-N 462.981 5.504 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(Br)ccc4n3)cc2)CCC1 1789328390 FJFFXGMBLLHWET-MRXNPFEDSA-N 481.394 5.057 30 20 JKED O=C(/C=C\c1c[nH]c2ccccc12)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789576642 VTXRGUIBCITKNM-AXNLVGEMSA-N 466.541 5.027 30 20 JKED COc1cc2c(O)cccc2cc1C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789577081 RXMANWHUPDUQCO-OCSSWDANSA-N 497.551 5.014 30 20 JKED CC(C)O[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1789597087 PCQCXCGZACDLBX-INIZCTEOSA-N 473.495 5.138 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)CCC2)cc1 1789626603 YQSBJRNHNHEKMF-DEOSSOPVSA-N 479.596 5.129 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4-c4ccccc4)cc3)CCC2)cc1 1789934955 WNOSAKDUGHWIQC-UHFFFAOYSA-N 472.548 5.682 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)sc1C 1789983231 AODMPQWUJIWPPH-ZHACJKMWSA-N 465.600 5.008 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3)cc2)CCC1)NC(=O)OC(C)(C)C 1790261407 FRFPZJBDVJPBJU-HSZRJFAPSA-N 495.595 5.433 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)ccc4F)cc3)CCC2)c1Cl 1790645790 VGYRJGWUPLDNPU-UHFFFAOYSA-N 463.896 5.118 30 20 JKED COc1ccc(C)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790707889 SHGWZGMAUKSNCV-UHFFFAOYSA-N 453.542 5.131 30 20 JKED Cc1cc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)ccn1 1790764383 WVZHBCMKKNFCNE-UHFFFAOYSA-N 472.976 5.296 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C(F)(F)c4ccco4)cc3)CCC2)c1Cl 1791079822 XIPWUZRIMNPQQI-UHFFFAOYSA-N 469.875 5.344 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OCC4CC4)c3)CCC2)cc1 1791300171 FEPWVPVTCWZKKE-UHFFFAOYSA-N 484.543 5.443 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CCC2)cc1)C(F)(F)F 1791302532 PEJLKTAMGGXGSQ-ZWKOTPCHSA-N 464.434 5.321 30 20 JKED COc1ccccc1CC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791354659 AADYVTRZUALRIE-FQEVSTJZSA-N 467.569 5.313 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnn4-c4ccccc4)CCC3)cc2)c1 1792123734 POBGWPIHRCZBRG-OAQYLSRUSA-N 489.579 5.561 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1792145458 PIXLGDJMQPRFNE-UHFFFAOYSA-N 489.959 5.047 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4[nH]c5ccoc5c4-c4ccccc4)CCC3)cc2)CCC1 1792231507 UNBAAEZSJWYQGT-UHFFFAOYSA-N 478.552 5.869 30 20 JKED Cc1ccc(S/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)cc1 1799302309 JGGXTBHIUQFPGH-PODJEOQNSA-N 466.006 5.078 30 20 JKED Cc1ccc(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(C#N)cc3)CCCCC2)cc1 1799668689 RLCKRAQYPNHVGM-OOSCYNTBSA-N 455.602 5.021 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(OCc2ccccc2)c(OC)cc1C 1800703066 NPYKQZGMXWHWJR-KOUNCHBCSA-N 498.570 5.046 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCC(=O)OCc1ccccc1 1802081815 GIXVNPLIOVGWDR-URBBEOKESA-N 482.665 5.311 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccnc1 1802495724 MRFCBOSTJYYUNO-ZCYQVOJMSA-N 463.622 5.182 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1802726720 OVHFIPYALYENKG-WMTXJRDZSA-N 451.998 5.131 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1803561139 SQHNOHYLZCAKKZ-BVAGGSTKSA-N 457.659 5.067 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1806010307 DVOSDVOXXDSGIW-VWLOTQADSA-N 475.073 5.294 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3nc4ccc(C)cc4s3)C2)CC1 1808826502 JMSZRYHFMNHVRM-HXUWFJFHSA-N 451.636 5.218 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@@H]1c1cccnc1 1808834851 XRTIKAIUHUYMSZ-BDBHHUNTSA-N 498.627 5.059 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)C2)CC1)C(F)(F)F 1809160860 BDWUORQQJRWGJI-WIYYLYMNSA-N 450.545 5.166 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809212935 NULWJYQRPFEUML-MBSDFSHPSA-N 466.006 5.073 30 20 JKED Cc1ccc(SCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1809476266 FXJMFYWBPVUCTE-ZNFSXRAMSA-N 498.652 5.129 30 20 JKED N#CC1(C(=O)N2CCCC3(CCN(C(=O)c4cccnc4-c4ccc5ccccc5c4)CC3)C2)CC1 1809497987 PWDZYGYYHIRVKZ-UHFFFAOYSA-N 478.596 5.050 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1809752475 DYOAEXGTCPFFMU-XXBNENTESA-N 465.644 5.446 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4ccncc4-c4cccc(C)c4)C3)CC2)c1 1810341892 RBBUONNOZLIUBQ-UHFFFAOYSA-N 492.623 5.396 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1810491189 ALELLAXHTISDPS-PLAFWNHUSA-N 479.587 5.449 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(OC(C)(C)C)cc3)[C@H]2c2cccnc2)c1 1811235536 DPDNEVUDCRNMOR-RPLLCQBOSA-N 496.611 5.072 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1811886942 AFJVGNCJSPNBGC-FYYOVZQQSA-N 480.612 5.103 30 20 JKED CC#C[C@H](CC(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1)c1ccc(O)cc1 1813124447 WVXGHWYHNKQQKJ-YPQHCJRJSA-N 499.655 5.127 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c(Cl)c1 1813831273 VCODWMOAWGHCBS-NVQXNPDNSA-N 496.127 5.414 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1815247662 NRMUUMLCTJXADF-AEFFLSMTSA-N 488.963 5.342 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4[nH]ccc4s3)n[nH]2)c1 1818791556 NFBXPRYOOXFPET-MGPUTAFESA-N 472.574 5.199 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)c2c1 1819059789 LAIORCAOHKSFNP-GKVSMKOHSA-N 496.571 5.146 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/Sc2ccc(C)cc2)n[nH]1 1819359066 HTXHGMQWVSEJHC-DKXPKDADSA-N 450.608 5.210 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1Cl 1820485955 NRJCOFSDIQYWED-NRFANRHFSA-N 495.942 5.092 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1 1820900708 HTARVQFMRMRTNH-SFZDQAMXSA-N 454.691 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277807 JJXNWGWBJLAJJX-FQEVSTJZSA-N 453.974 5.233 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1821987088 FWYBOZQBVKNXIY-KRWDZBQOSA-N 462.884 5.327 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1)C(F)(F)F 1821993621 IPEQKPUMFGRKQS-SFHVURJKSA-N 477.874 5.036 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2Br)n[nH]1 1822515131 XHSOLVBCGIQILM-ZGKFYVQTSA-N 493.352 5.089 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1822580841 BTINKSHTDWGHEE-QHCPKHFHSA-N 473.552 5.110 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823211550 NWIUTNZQFIIEBT-WYEJZRMESA-N 485.588 5.155 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1Cl 1823215792 DYKALCQJCOLVLA-VGSWGCGISA-N 475.980 5.618 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 1823753956 RNLUKBRYZXWYBD-SANMLTNESA-N 476.665 5.157 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1823754174 YYJVDMSJBHUGTF-VWLOTQADSA-N 462.638 5.302 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1824139301 JSQJUOWQKOVINW-ZONZVBGPSA-N 464.650 5.187 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2OC)CC1 1824319601 JQBZXBTYBKWUSE-RUZDIDTESA-N 452.639 5.016 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1824825898 SOWVBEHBUVWXPN-KXTRFFEISA-N 489.582 5.089 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825423892 BQZQHVBTSDLXDE-LVXARBLLSA-N 478.637 5.024 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825436815 JIZPBHQTNOXUJR-FNZWTVRRSA-N 463.622 5.136 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(Br)cc2C)CC1 1826189115 UDPYOSRETPLIPR-JOCHJYFZSA-N 488.470 5.154 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cccs3)CC2)cc1C#N 1827079931 MCTNLQSJAAAWGS-VMQHTIDMSA-N 491.657 5.354 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1 1827775234 SFTAMJZWVWVZHL-GAJHUEQPSA-N 486.538 5.208 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1828829894 JUNOKABFNWXXEI-GOTSBHOMSA-N 483.056 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1828829896 JUNOKABFNWXXEI-PKTZIBPZSA-N 483.056 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1828830170 MDEVYHZVIGZYGU-RPWUZVMVSA-N 492.582 5.716 30 20 JKED CCCCCc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)c1 1828999481 SRHFARNCHBWITE-KAUHDDEISA-N 491.676 5.294 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COC2CCCCC2)CC1)c1ccccc1 1829029659 DXFOSOYMRALZKF-WUFINQPMSA-N 478.677 5.153 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1)c1ccccc1 1829030826 UAFOZMMVAQBARM-RRPNLBNLSA-N 488.676 5.069 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1830016306 ISHWAGJKPAMKKS-QFIPXVFZSA-N 471.935 5.037 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1830421186 JCXQQNJTIKGUFG-AREMUKBSSA-N 463.666 5.327 30 20 JKED O=C(C1=CCCS1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601887 LCRBRSOUKDKJKW-HHHXNRCGSA-N 484.665 5.341 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc4cccnc4cc3F)CC2)c1 1830769923 CZFHOBNWEWSSAJ-MUUNZHRXSA-N 498.602 5.030 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806875 PTRZOXRKESVHFT-RUZDIDTESA-N 452.545 5.441 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)CC1 1831203714 WUNFVHVBPLGJED-IZLXSDGUSA-N 479.709 5.458 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1)C(F)(F)F 1831455752 PGTPFHUDUNQDBW-GOSISDBHSA-N 481.317 5.484 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2Cc2ccc(F)cc2)CC1 1831861584 UVQULFOWRUFDQY-MHZLTWQESA-N 462.609 5.155 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1832033768 CAJFTJORFFKGNX-UPVQGACJSA-N 455.042 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(N(C)C)cc2)CC1 1832056018 WVGMMGLHXKJBMY-KAYWLYCHSA-N 465.682 5.073 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 1832634032 HLPUGUNDUFXGJY-UTKZUKDTSA-N 470.038 5.576 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)c(F)c3)CC2)cc1 1832732926 YSMFLWBLPZHYQB-AREMUKBSSA-N 489.591 5.033 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)c2ccccc12 1832997042 MMLNYAZWADMAMM-SANMLTNESA-N 457.618 5.004 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1836583248 KXAOGGJWSPTVJE-LJQANCHMSA-N 494.035 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)CC1 1836698196 XIKBOJPGZQFNIL-UHFFFAOYSA-N 495.639 5.007 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)C1 1844654573 LODOWZZRFYWCGE-UHFFFAOYSA-N 461.631 5.706 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC2(CCCN2C(=O)c2cc(F)ccc2C(F)(F)F)C1 1846886483 KICHEOQUPQJRPV-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 9414746 HTOGMSUMFSLIDY-UHFFFAOYSA-N 492.988 5.212 30 20 JKED COc1ccc(OC)c(NC(=O)C2=C(C)N(c3cccc(C)c3)C(=S)N[C@H]2c2cccc(C#N)c2)c1 10355351 QNPDDUAQJLHTPB-SANMLTNESA-N 498.608 5.232 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 10832797 BVVKRDMYFIRUCO-UHFFFAOYSA-O 462.038 6.046 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)c(F)c1 11170252 ZBWHYBZWUZUCDW-UHFFFAOYSA-O 477.531 6.033 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cccc2c1=O 21844598 AAKYOINUKFAFHL-LJQANCHMSA-N 498.510 5.400 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(C)c2)cc1 22690262 UXYLFXACSMVOQU-UHFFFAOYSA-O 473.590 6.047 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C(=O)OCC)cc2)cc1 22727446 PUTQPPJENKTMDO-UHFFFAOYSA-O 483.560 5.432 30 20 JKED CCc1cccc(CC)c1-n1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1cccnc1 23421402 XYQUAAVTVMNVHN-UHFFFAOYSA-N 482.613 5.103 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 108323970 ZNDTVOJOVOPFTC-UHFFFAOYSA-N 455.583 5.978 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)c1 109622634 LQEDCFPQAPPXFL-UHFFFAOYSA-N 472.536 5.768 30 20 JKED Cc1csc(N(CC(F)(F)F)C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 195644805 QUGBMFYVUAORAR-UHFFFAOYSA-N 466.325 5.463 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 195647310 YAAFLSWGQTUKHA-HNNXBMFYSA-N 495.029 6.174 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc(-c2ccncc2)cs1 195662758 CDJZOOFSZCIXRL-GFCCVEGCSA-N 473.402 5.643 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)cs1)c1ccc(F)cc1F 206338589 PEMYRKCBSDEKOJ-WQLSENKSSA-N 467.541 5.992 30 20 JKED COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1OC 254450514 WZTYGCZHFPXYMH-UHFFFAOYSA-N 476.558 5.095 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)C(=O)N(C)CCC#N 501575112 YAJZFPAEBKQQIE-OAHLLOKOSA-N 474.417 5.153 30 20 JKED C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1 502208762 KSDSQHDUZCTVRV-LBPRGKRZSA-N 475.364 5.462 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C 502676140 CPDSFEPANBYPCE-UHFFFAOYSA-N 460.347 5.009 30 20 JKED CCCCCOc1ccc([C@@H](C)NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC 503095112 DRWYDIZGLGDTPB-JOCHJYFZSA-N 478.637 5.114 30 20 JKED CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1C#N 505395149 LBBNLRKVZBYBLP-UHFFFAOYSA-N 479.609 5.394 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 508977825 HEGUHYIQESXQDE-UHFFFAOYSA-N 463.544 5.095 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 510857831 RLTIGCOAKASKSA-UHFFFAOYSA-N 453.542 6.094 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 511748726 SRJWHIQIDACENA-QGZVFWFLSA-N 453.514 5.450 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)n2)cc1 512505380 YNYHHRLXDJONJJ-RDGATRHJSA-N 490.544 5.114 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 514507147 BXFRCARIBHTDCS-UHFFFAOYSA-N 470.417 5.336 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccccc1OC 514955404 WTSYBMYQKMLRPB-ZDUSSCGKSA-N 469.567 5.008 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3nccn3C)c2)nnc1-c1ccc(Cl)cc1Cl 516135119 AFOOJYSQASKACW-UHFFFAOYSA-N 499.427 5.569 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1)c1nc(-c2ccncc2)cs1 516767522 DJGFNUBXRKQARR-MRXNPFEDSA-N 456.379 6.730 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1)c1ccccc1 518477584 QDTQQUSCPSFQMH-QHCPKHFHSA-N 462.534 5.448 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)cc3)o2)c1 518516671 RSKMNQDOUCSOOU-QHCPKHFHSA-N 487.544 6.197 30 20 JKED O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 518814936 JKNYEVNECWWBFT-UHFFFAOYSA-N 477.336 5.146 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1C(F)(F)F 519872747 KTBZNOPZKDKOMX-UHFFFAOYSA-N 458.234 5.596 30 20 JKED Cc1cccc(COc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c(C)c2)c1 520673912 CTTSLPZPEIBAJL-UHFFFAOYSA-N 468.601 5.494 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1C 521326624 AQTVIUISTDRXFO-GOSISDBHSA-N 459.962 5.834 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cc1C 521729190 FIBFFEFUARMLRB-QGZVFWFLSA-N 479.627 5.608 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 521811619 NSORJHWVTAFOTD-HZPDHXFCSA-N 467.513 5.003 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NS(=O)(=O)c4cccs4)c3)cc2)c1 524121812 HTIOZRVUZKYEGD-UHFFFAOYSA-N 489.578 5.252 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@@H]2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 588704425 VVLBKTYIVOAMBC-IFMALSPDSA-N 456.011 5.332 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589044668 RYEHBZZPSFRXEM-NNYUYHANSA-N 451.329 5.498 30 20 JKED N#Cc1c(CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)cn2ccccc12 590615061 PGFYDFKANBWFHG-SFHVURJKSA-N 454.559 5.022 30 20 JKED C=C1CCN(C(=O)CSc2nnc(COc3ccc(Cl)cc3C)n2C2CCCCC2)CC1 594848037 DNORJKVEBMFDTF-UHFFFAOYSA-N 475.058 5.595 30 20 JKED Cc1c(C#N)c(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)n(-c2ccccc2)c1C 603614410 ULMAUUCWMMFIAC-UHFFFAOYSA-N 471.586 5.024 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(C#N)c(C)c1C 603756834 CDIRXGSBBFFYRS-UHFFFAOYSA-N 454.571 5.267 30 20 JKED Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c2cnn(Cc3cccs3)c2n1 603991588 COTIFVUVDRUXRX-UHFFFAOYSA-N 481.606 5.801 30 20 JKED CCC[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 604506004 YXYHJVHHRYZKIB-SFHVURJKSA-N 462.381 5.103 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 604562035 VOGGIMPDUKFNJV-UHFFFAOYSA-N 455.436 6.042 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 608845423 XADWFVLWZFEWON-GGAORHGYSA-N 490.357 5.032 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 608850335 NPTGSXFRILBLCW-UHFFFAOYSA-N 466.994 5.425 30 20 JKED CCN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)[C@@H](C)c1ccc(C#N)cc1 609020701 RTKYDDKOAIDOFW-INIZCTEOSA-N 454.505 6.001 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609063276 VFYRRCOABHZDDZ-DEOSSOPVSA-N 479.939 5.323 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1 609067170 VNDFLXLHVWTNNI-UHFFFAOYSA-N 452.442 5.094 30 20 JKED CC(C)(C)n1ccnc1SCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609072953 OYNFUTAPPUIFDK-UHFFFAOYSA-N 454.983 5.473 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 609078970 FYLBGONAFAVJOI-UHFFFAOYSA-N 460.553 5.181 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)C2)c1 609173726 WVHFUXQUWVJARA-LBNVMWSVSA-N 481.596 5.116 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cccnc3Oc3ccc(F)cc3Br)CC2)c1 609184829 IMIRBDSOXOEWIC-UHFFFAOYSA-N 496.336 5.331 30 20 JKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(OCc2cccnc2)cc1 609208957 LROZUVAFWFEXEM-HXUWFJFHSA-N 464.525 6.207 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 609370799 YHHFCGAUEQNOJG-FQEVSTJZSA-N 499.665 5.983 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 609378122 SDVZAFZYRANGPC-HJPURHCSSA-N 454.954 6.490 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 609403178 ZZPMRHAPARLESK-ZDUSSCGKSA-N 451.379 5.348 30 20 JKED CCOc1ccc(-c2nc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)sc2C)cc1 609420391 SXXURHOQJWAJDI-UHFFFAOYSA-N 462.575 5.183 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)c1 609430358 RLFYWEZJYBOVFV-IBGZPJMESA-N 479.627 5.751 30 20 JKED CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1 613290549 FJRKLSCONNOLIZ-QFIPXVFZSA-N 475.957 5.203 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)cc1 615370452 GGYGIPUVAHKJCB-QFIPXVFZSA-N 480.362 5.515 30 20 JKED O=C(NCCc1cc(Br)ccc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620369302 ISDAWLQXBWMUQA-QWRGUYRKSA-N 479.234 5.339 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)cc1 626589848 QAESGMKWOFSITC-UHFFFAOYSA-N 450.542 5.699 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccccc3F)S/C2=N/CCc2ccccn2)s1 726112820 GTXLGGKIRGMVJG-JICIJDFBSA-N 496.633 5.223 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1oc2ccccc2c1CSc1ncccn1 726319940 QIPITBYBXZNILY-QGZVFWFLSA-N 462.918 5.130 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1CC[C@H](C)OC 726393452 OYKGUAMPGHSWMA-HRAATJIYSA-N 490.025 5.042 30 20 JKED Cc1c(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727267064 BIXCMWZARBYLHK-KHPPLWFESA-N 483.484 5.323 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(CCN(C)C)cc2)ccc1Cl 727998669 CAEYBLAYUKSGPP-UHFFFAOYSA-N 498.048 5.078 30 20 JKED N#Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)ccc1F 728192791 TWHNBHYBZFFESS-UHFFFAOYSA-N 497.857 5.423 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1C 728420187 AAVOXGXRJYOAOG-NTKDMRAZSA-N 483.597 5.292 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 728427892 UVHUVPXGEKIWGZ-GAJHUEQPSA-N 487.560 5.122 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)ccc1OCC(=O)Nc1ccccc1Cl 728439032 VACDTJLMXOERLD-TWGQIWQCSA-N 455.869 5.107 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCCCC#N)C1=O 728779411 ZLERDQJTKGBBLI-FQEVSTJZSA-N 488.972 5.142 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)c1 729633023 VBMHVTWONIKCCJ-RUZDIDTESA-N 482.609 5.149 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCc1c(C)noc1C 730441488 FZJDCVFNNABCFG-QFIPXVFZSA-N 497.020 5.456 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)nc2ccccc21 730685377 HQNZNONKJWIRCW-UZUQRXQVSA-N 478.321 5.471 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2Cc2cocn2)c1 730711214 AUGZJFSIDOPMFD-IBGZPJMESA-N 489.384 5.450 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1[C@@H](C)c1ccc(C)s1 730715071 AYJWTKGYAKVDKW-OXJNMPFZSA-N 479.631 5.130 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730944193 SJCXEZDUVJRTTM-GBXCKJPGSA-N 472.614 5.728 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)CCCS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 730955105 AYLZGVBVMBUNNY-UHFFFAOYSA-N 484.371 5.147 30 20 JKED Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)s1 731062416 IOFDHDBPSMMISP-OAHLLOKOSA-N 451.573 5.166 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1 731063141 JABXGDXJHPUGHQ-MRXNPFEDSA-N 479.583 5.048 30 20 JKED Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731077985 QEVZLFASSVSVNK-HNNXBMFYSA-N 451.573 5.308 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2Cl)C1=O)Nc1cccc(O)c1 731305407 BUJGRMASXJRTRH-NRFANRHFSA-N 465.962 5.206 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3ccco3)C2=O)cc1 743524234 INWHMKBUPFIVAJ-QFIPXVFZSA-N 479.533 5.090 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cscn3)C2=O)cc1 747600132 NQGJFLGAOJPWCD-HXUWFJFHSA-N 499.017 5.160 30 20 JKED C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1OCC 748583886 KDQVNQLJQHFESQ-YHYXMXQVSA-N 472.335 5.265 30 20 JKED CCOc1c(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c(C)nn1CC(C)C 812394516 SQRKFYWACVZHHQ-UHFFFAOYSA-N 484.025 5.529 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1 818136075 VQSYZUDHNGILNM-UHFFFAOYSA-N 481.986 5.705 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 829403487 HVPGLNSFWCKVRU-UHFFFAOYSA-N 460.584 5.538 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N([C@H](C)c2ccccn2)C1=O 837705330 KJEDRZMHRGSDCG-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED C[C@@H](OC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1sc2c(c1C#N)CCC2 857827602 DATAADBMKBMLLC-CQSZACIVSA-N 452.507 5.011 30 20 JKED O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 888529259 VIJZUKUALJWPAP-UHFFFAOYSA-N 462.281 5.210 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)c3)C2=O)cc1OC 912771840 UQBIJTRYFYWAHI-DEOSSOPVSA-N 489.597 5.173 30 20 JKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 913153504 WLDDWDNDQKJVTP-FARCUNLSSA-N 488.403 5.251 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)COc1ccc2c(C)cc(=O)oc2c1 914521124 WBFJRQWZPIKZQV-UHFFFAOYSA-N 456.473 5.033 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1c(C(C)C)nn(-c2ccccc2)c1Cl 914559308 HZGNQMFMFMKPII-UHFFFAOYSA-N 452.971 5.087 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(Cc2cc(OC)ccc2OC)C2CC2)c1=S 914569999 HEQJYHNKSOVIDZ-UHFFFAOYSA-N 454.571 5.045 30 20 JKED Sc1nnc([C@@H]2COc3ccccc3O2)n1N=Cc1ccc(-c2cccc(Cl)c2)s1 914691394 CKTBLRIQOYLZKG-SFHVURJKSA-N 454.964 5.343 30 20 JKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(-c2ccc(Br)cc2)c1=S 914783222 NDQOBPFFUBXKKV-UHFFFAOYSA-N 491.418 5.189 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)cc1 915087920 CGLLDMGPZFJVFF-NRFANRHFSA-N 468.582 5.502 30 20 JKED COc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 915102413 YHLCMDIVCDLDID-SFHVURJKSA-N 464.934 5.331 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2ccsc2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103281 RZGALTGNQGAKQW-CQSZACIVSA-N 475.382 6.037 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915199477 CTDYFKJIZBULEA-XMMPIXPASA-N 454.961 6.109 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 916204264 BFYZZHSFFXNUMH-LJQANCHMSA-N 499.942 5.144 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 916206194 XWQWDWGGQOMLCE-QHCPKHFHSA-N 461.587 5.227 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1Cl 916209286 IPAKZWVSUGULAW-QGZVFWFLSA-N 469.916 5.729 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccc(F)cc1F 916209312 JLJJSFCYRHVJTE-LJQANCHMSA-N 495.498 5.469 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccccn2)cc1 916214622 PWTBTACVMCRMES-XMMPIXPASA-N 486.597 5.007 30 20 JKED CCc1nnc(S)n1N=Cc1cc(Br)cc(Br)c1OCc1ccccc1 916301109 QYRRBHMVVCPEBA-UHFFFAOYSA-N 496.228 5.115 30 20 JKED CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1OCC(=O)N1CCCC1 916680467 HTWASQOLFUTWFX-RRPNLBNLSA-N 496.611 5.616 30 20 JKED COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)ccc2c1 916905310 MPZKOQVLLCQFEH-IMYWFDTISA-N 462.505 6.001 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 916925265 KOSKWDUGLMNWMB-SFHVURJKSA-N 485.371 5.085 30 20 JKED N#C[C@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 916944891 PJOJJOAUCXQVLT-HXUWFJFHSA-N 493.350 5.270 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1 916956286 ZLRNBFSLDYOTLL-VFNWGFHPSA-N 465.550 5.644 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976858 HAUJLYBFYVOEJO-SFHVURJKSA-N 458.370 5.503 30 20 JKED COc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996563 LGHHXCLTJCGHRO-SJKOYZFVSA-N 463.411 6.483 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042835 HGBWJVQIZATMCU-JOYOIKCWSA-N 486.302 5.617 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)sc2C)cc1 917612483 SVMKZBLHALGQRW-UHFFFAOYSA-O 462.664 6.751 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C)c(C)c2)cc1 917614029 XFNHZYYZTJUZJD-UHFFFAOYSA-O 456.635 6.690 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 917636052 OFHWFMDXSWTWGN-QGZVFWFLSA-N 468.793 5.383 30 20 JKED C=CCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 919873380 PUBBAAKBAKUCBH-UHFFFAOYSA-N 451.866 5.318 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 919893972 UPDMPRDXBHYNLL-UHFFFAOYSA-N 472.522 5.478 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 919986097 SRHVHMORDIJTJN-UHFFFAOYSA-N 474.900 5.757 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1N1CCNC1=O 920109137 DNOCUFLDBOXPSW-MRXNPFEDSA-N 471.369 5.445 30 20 JKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141874 MXEKTHWLZAJGDW-WBMJQRKESA-N 458.395 6.346 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2C)C(=O)N1Cc1ccco1 920169251 RPLIVMVNLMFPKP-JOCHJYFZSA-N 491.569 5.009 30 20 JKED Cc1cc(C)c(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)c(C)c1 920806175 IAYPXYKLEXZCGF-SJORKVTESA-N 465.525 5.243 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3ccc(C)cc3s2)C1 1781363432 FTOJUOXMZLGTAG-SHQCIBLASA-N 466.647 5.106 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ccc3OC)CCC2)cc1 1786679527 QMSOMKNKWRYMDC-UHFFFAOYSA-N 489.435 5.125 30 20 JKED CC(C)c1cc(Br)cc(C(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)c1 1787649061 PLUYOGQNUAJOME-UHFFFAOYSA-N 454.368 5.234 30 20 JKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1cccc(NC(=O)OC(C)(C)C)c1 1787886720 PFKCMVFSVXLREI-LJQANCHMSA-N 490.604 5.575 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3-c3ccccc3)cc2)CCC1)C(F)(F)F 1788671691 QKIQZCXMARNBDT-UHFFFAOYSA-N 469.463 5.516 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)CCC1 1788678810 LGZUXZCBJQZLIL-SANMLTNESA-N 473.617 5.039 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(NC(C)=O)cc3)CCC2)cc1 1789453670 FDFGVYHQWPUUQN-RUZDIDTESA-N 459.590 5.090 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)cc3)CCC2)c1 1789531029 ACQXTBHCEKNLEY-UODIDJSMSA-N 495.604 5.202 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccn4ccnc4c3)CCC2)cc1)c1ccccc1 1789600871 SQFFIWKDSJNLRZ-AREMUKBSSA-N 476.580 5.279 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)c(F)cc5nc4Cl)cc3)CCC2)CC1 1790042358 ZTYFDFQGGWLZMS-UHFFFAOYSA-N 480.902 5.218 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)CCC1 1790130754 HNJAHIMZLLPMIS-QGZVFWFLSA-N 493.995 5.279 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3nccc(OC)c3OC)cc2)CCC1)c1ccccc1 1790202336 VYFKCRAYXNWFNV-XMMPIXPASA-N 497.595 5.044 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)CCC=C(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1790453408 GTODVAHNLLFWAI-HSZRJFAPSA-N 483.653 5.726 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4O)CCC3)cc2)c(C#N)c1 1790474563 LLGSTPJBBVJHHZ-UHFFFAOYSA-N 495.535 5.009 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CCC2)cc1 1790565252 WXEXJERUHIWOTB-FQEVSTJZSA-N 472.589 5.539 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)CCC1 1790589190 CWLYQOWQWAETOJ-UHFFFAOYSA-N 465.553 5.100 30 20 JKED Cc1ccc(OCCC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1 1790705080 HEKPMYANVTXWJU-UHFFFAOYSA-N 467.569 5.278 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CNc5ccccc54)CCC3)cc2)c1 1792122181 DVBHXGBONKIKEJ-UQBPGWFLSA-N 464.569 5.271 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)c(Cl)c4)CC2)C3)cc1 1792482952 AAGNYPHVAJLVGI-KOUNCHBCSA-N 496.438 5.168 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ncc(Br)cc2c1 1793416492 QZJCMRWZOZKCNS-KOUNCHBCSA-N 498.465 5.170 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Br)cc2s1 1798085619 FKNGQNPJTFGVCW-YRPNKDGESA-N 487.463 5.684 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(F)F)cc1Cl 1799250387 DRWKWVXGPSQHHG-MUJYYYPQSA-N 454.945 5.186 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1802415373 GORSHRIIBJATSV-WNCULLNHSA-N 467.569 5.160 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@H]1c1cccnc1 1802490330 AWBIZJDPPBEMDW-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1802499064 ZXZHHQKYNXQXPB-WIOPSUGQSA-N 468.041 5.366 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3CCN(c4ccccc4)CC3)C2)CC1 1805436705 DJCYUUPGTVCOKL-UHFFFAOYSA-N 465.682 5.127 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@@H]1c1cccnc1 1808577840 LPYMUAXKANHAON-PXNSSMCTSA-N 498.496 5.014 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3ncccc3c2)[C@@H]1c1cccnc1 1809015091 NVAOEWDEWZDSAI-NAKRPHOHSA-N 498.703 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccnc3s2)[C@H]1c1cccnc1 1809170269 TURNWJYJDIGPFP-IFMALSPDSA-N 462.619 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccnc3s2)[C@@H]1c1cccnc1 1809170456 NPGQEOLYQCLOGK-UNMCSNQZSA-N 462.619 5.003 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c1 1811424475 KTERMTWUGDVMRN-DVECYGJZSA-N 493.394 5.202 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1811886948 AFJVGNCJSPNBGC-RGVCCXDYSA-N 480.612 5.103 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1812071482 DFQIIMCUMGVGBZ-GJZUVCINSA-N 489.019 5.371 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c(C)c1 1813869694 MVWFYOHUFUDZBG-DUFKRMHYSA-N 480.612 5.267 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccccc4)on3)n[nH]2)c1 1814364453 OLBUSGNALVKEMB-MHECFPHRSA-N 494.555 5.311 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)nc2ccccc12 1814379800 SUOTWMWZXLYYNZ-SANMLTNESA-N 492.583 5.077 30 20 JKED Cc1cc(Cl)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814595114 UQAJZMJONSWDAM-SBUREZEXSA-N 475.980 5.618 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCCCNC(=O)OC(C)(C)C)n[nH]1 1814796579 UCQCMPSRIANJDV-NRFANRHFSA-N 489.661 5.233 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)[nH]n1 1814823703 DJHDBNCVBRLJSI-FQEVSTJZSA-N 474.577 5.241 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCc3ccc(C(F)(F)F)cc3)n[nH]2)CCC1 1815152006 NDUJFTHOZUPUBT-FQEVSTJZSA-N 487.526 5.137 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(F)cc4)CC3)n[nH]2)c1 1815628219 HLTSYCRAVUUALL-HOYKHHGWSA-N 485.563 5.214 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccs2)n[nH]1)c1ccc(O)cc1 1817496762 JMIPPPOVAVWEET-BHUMTYHRSA-N 488.613 5.080 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(Br)nc2C)n[nH]1 1818415910 QSBGSUQZDAYTTM-ZBFHGGJFSA-N 492.443 5.011 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)c2[nH]1 1818651967 JYCAGFGQMJDCAX-CFGKVWFZSA-N 487.585 5.006 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1819307522 IEIIGFXGOSFEQK-WMZHIEFXSA-N 498.587 5.620 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820151595 ZPHNXCDDROZESU-QHCPKHFHSA-N 465.557 5.049 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1821923046 SIUVGWOUICNPIR-CJFMBICVSA-N 481.600 5.848 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4cccc(Cl)c4)CCCC3)n[nH]2)CCC1 1822314696 FDUXFWUKOAPTHH-NRFANRHFSA-N 480.012 5.261 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)[nH]n1 1822383738 ICNRROAJJRNQNU-HRAATJIYSA-N 499.036 5.266 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CSC3CCCC3)[nH]n2)c1 1823210437 DAIDLDATFZAYKB-VGSWGCGISA-N 465.623 5.018 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)COC2CCCCC2)CC1)c1ccccc1 1824018262 VCVNYFWJRWMALR-IZLXSDGUSA-N 478.677 5.153 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nn2-c2ccccc2)CC1 1824141298 MEAQANIMXUOPJF-SANMLTNESA-N 474.649 5.182 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 1824143651 PQOMNURFAXNUHJ-RUZDIDTESA-N 461.606 5.343 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)c2ccccc2)CC1 1824248077 NBDCKBYKTYUSTR-IZZNHLLZSA-N 495.708 5.197 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1824960789 VVINCXBMEXDIRQ-WMZHIEFXSA-N 496.639 5.434 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)CC2 1825253031 CPAGHVCBGKLFKT-HNNXBMFYSA-N 496.539 5.322 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1826192290 FUIXACQIRNCDRH-NRFANRHFSA-N 485.415 5.116 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)c1 1827329291 ZKCCJISEMFTHIB-FTJBHMTQSA-N 479.690 5.245 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(-c4ccccc4)ccn3n2)CC1 1827383646 KXOUZKPCUNTLRD-MUUNZHRXSA-N 482.628 5.038 30 20 JKED Cc1cccc2[nH]c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)cc12 1827697994 WJILUSDUECPCEU-VQIMIIECSA-N 483.597 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)CC1 1829454867 JHGQTWJMZPBKPN-PZJWPPBQSA-N 464.437 5.390 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829607430 BJVJTFMNISIDMY-HSZRJFAPSA-N 489.664 5.232 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689816 RHZYBVGJLWKYSF-HSZRJFAPSA-N 496.055 5.099 30 20 JKED CCc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc(C)n1 1829690049 IDONVJRKPXQDQG-XMMPIXPASA-N 479.024 5.025 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3F)CC2)c1 1829892262 QFWDWVWHFBBKHU-KOSHJBKYSA-N 465.544 5.139 30 20 JKED CCCCCc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)ON=C(C)C)CC2)cc1 1830418974 IKVFIVGBGBGDFT-YIXXDRMTSA-N 483.697 5.382 30 20 JKED CC1=C(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CCO1 1830602131 RHDVZKZNWHWSLL-LJAQVGFWSA-N 482.624 5.014 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830770246 SFDDGOZDOMNFKE-XMMPIXPASA-N 467.972 5.206 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1830784747 TUQCKRKKWJIJLD-JSPCPOQUSA-N 490.431 5.247 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc4ccc(Br)cc34)CC2)C1 1830826716 IPCJSJHVUOJDMV-DEOSSOPVSA-N 496.449 5.197 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830830680 ZEAJXUSAUCDKIO-MHECFPHRSA-N 454.014 5.334 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1)C(F)(F)F 1831310141 HQWGCZAQLJVRCH-LJQANCHMSA-N 494.451 5.125 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 1831806901 VVLOOSJNFDRDMD-QHCPKHFHSA-N 474.567 5.160 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831845022 NNWWZJOMJRPDAS-VGSWGCGISA-N 450.604 5.138 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)n1 1832092582 LTTNAZRUPBGKOU-PIKZIKFNSA-N 486.660 5.192 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc(C)c1O 1832579945 KPONJJXGBUQVMO-HSZRJFAPSA-N 480.008 5.081 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4[nH]ccc4s3)CC2)c1 1832632736 VCNUELRGYVLBHI-FDDCHVKYSA-N 474.630 5.404 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cnc4[nH]ccc4c3)CC2)c1 1832633977 MWESFDSQDOMYIE-JIPXPUAJSA-N 497.643 5.056 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)CCC1 1832786275 RMSBQHVUCZECQB-QHCPKHFHSA-N 484.600 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 1835816914 HCJHGIXXJDWTGF-UHFFFAOYSA-N 480.480 5.171 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)CCC3CCCC3)CC2)CC1 1837611699 MFKMWWNWDVFKSW-UHFFFAOYSA-N 474.762 5.007 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 1838423801 DNKFRPYOZXNAMG-UHFFFAOYSA-N 498.561 5.449 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)cc1Cl)C2)c1ccc(Cl)cc1 1845932851 NENBEYYVRLFTNO-JOCHJYFZSA-N 470.400 5.122 30 20 JKED CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1cccnc1 9965864 LHJVLFGIOOXMIH-GOSISDBHSA-N 468.586 5.444 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173489 AVJXFWYAHZNQCR-UHFFFAOYSA-O 487.595 6.456 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(O)c2)c(C)s1 11158166 UOMOOMUNUQPREX-UHFFFAOYSA-O 451.515 5.428 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1ccccc1OC 11451626 IHOCGGFZGAODGL-UHFFFAOYSA-N 482.009 5.141 30 20 JKED Cc1nc(CSc2ccccc2C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cs1 11595515 RFZUFQRZALGXKO-UHFFFAOYSA-N 457.964 5.064 30 20 JKED C[C@H](OC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 12256020 XUDYZMLCRBSCQI-ZDUSSCGKSA-N 458.301 5.023 30 20 JKED C=CCN(C(=O)COC(=O)c1cc(C(C)=O)c[nH]1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18610642 JTYFRXAWTZRKTR-UHFFFAOYSA-N 478.357 5.024 30 20 JKED CCn1cnnc1SCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1sccc1C)CC2(C)C 18966766 FVIAXGZZMKCSKV-VOTSOKGWSA-N 495.699 6.110 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 22354271 HUGMVNJMZMWTPE-UHFFFAOYSA-N 472.401 5.477 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(Nc3ccccc3F)s2)n(Cc2ccco2)c1C 22725143 MAXKHRIZKCUZBK-UHFFFAOYSA-N 482.566 5.083 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 22731071 WURSDYJYEHUZGG-UHFFFAOYSA-O 481.375 5.676 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@@H]2c2ccc(OCC)cc2)c1=S 23855384 BBGPMMPBKBLQDL-QPPBQGQZSA-N 478.618 5.306 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccc(F)cc1 24014553 VVCYHHCQFBJKCS-HNNXBMFYSA-N 464.522 5.338 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(Br)cc1 24015646 UCRRVDLYMCGYDA-AWEZNQCLSA-N 491.842 5.975 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(F)cc1 26040408 PGUYWNPJUUZASM-IBGZPJMESA-N 475.574 5.362 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 29150257 CGEVJPKXMDEZFA-UHFFFAOYSA-N 453.951 5.194 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1 31673050 IFSGJNIUAGTLTR-UHFFFAOYSA-N 492.988 5.124 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 32786106 IADMHPGKMJOCFW-OAHLLOKOSA-N 471.508 5.977 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 72025338 CBBAOWYGOSZWNC-UHFFFAOYSA-N 497.624 6.136 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Br)c2c(c1)OCCO2 97542533 HTSYUJYUKNRVIL-UHFFFAOYSA-N 479.330 5.232 30 20 JKED COCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nc2cc(Cl)ccc21 105609033 RBEXJBMSHGJPKU-KRWDZBQOSA-N 456.999 5.072 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 107806124 PWWCUOBAHCEINB-UHFFFAOYSA-N 456.329 6.159 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)c(C)c1[N+](=O)[O-] 108370010 OAXMNPRHMDHVML-UHFFFAOYSA-N 495.539 5.354 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)[C@H](C#N)c4nc5cc(Cl)ccc5s4)c3)cn2c1 195664182 IHXAQCODKBOPFW-FQEVSTJZSA-N 472.957 5.975 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccco1 255001565 WFYAGVJQJKVICV-FQEVSTJZSA-N 455.486 5.027 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 255929613 ISUUOEYPXSYEQT-GOSISDBHSA-N 457.559 5.438 30 20 JKED CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)[C@H](C)c1ccc(C#N)cc1 302940203 BKAVZINUQOYTJO-GOSISDBHSA-N 465.550 5.030 30 20 JKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccco1 303170761 JFJKXCVYCYDBOW-RUZDIDTESA-N 465.509 5.414 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4ccccc4)nc3O)cc2Cl)c1 303216409 SWWQLGOECBCAQB-UHFFFAOYSA-N 455.901 5.811 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 409859448 ZVKGLTVZRIVIFD-UHFFFAOYSA-N 450.376 5.672 30 20 JKED COc1ccc(OC)c(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)c1 481633164 YGOBLHVMZBJYJU-UHFFFAOYSA-N 475.520 5.490 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 483494331 JGJPWCCDXNCEBX-UHFFFAOYSA-N 454.486 5.196 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 496634901 YXVLIEBSSMKXAJ-UHFFFAOYSA-N 470.510 5.616 30 20 JKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c2)C1 499177170 QJRDDHATCRGAIB-WMZHIEFXSA-N 454.592 5.112 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1C 499887762 BYHIHEZVDWBEHI-UHFFFAOYSA-N 453.502 5.178 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)CC2)c1 501724835 AHGFDDBUSUFBCV-UHFFFAOYSA-N 499.958 5.148 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc2ccccc2n1C(F)F 502691176 HFGIUGACVIJAIN-LJQANCHMSA-N 478.524 5.944 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 503191108 FMPRGRQDGIAYJB-UHFFFAOYSA-N 481.644 5.002 30 20 JKED CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 504771829 YIHLNSIEDWYPAQ-UHFFFAOYSA-N 475.726 5.797 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 505678530 RKTJXLLPKYIVQD-OAQYLSRUSA-N 484.556 5.550 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccccc2CN2CCCC2)cc1 508253046 RJKYLYMALDDVJD-UHFFFAOYSA-N 456.546 5.277 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 509235977 OMUIUFWFYSBVDD-UHFFFAOYSA-N 451.530 5.190 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 510226413 FDDPEHDMBTWKKJ-GOSISDBHSA-N 491.588 5.593 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1Cl 513542811 JXOLCHUJPJNRHJ-HOYKHHGWSA-N 462.956 5.783 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Br)cc1 513653901 HQCJJCVZHSJFCJ-KRWDZBQOSA-N 457.349 5.292 30 20 JKED C=CCN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1nc(-c2ccccc2)cs1 515327658 MEZUUSMQRIWXCX-OYRHEFFESA-N 489.641 5.811 30 20 JKED N#Cc1c(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)sc2c1CCCCCC2 515677709 UKLRWQULCLOGOJ-UHFFFAOYSA-N 468.582 5.289 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(NC(=O)C(C)(C)C)cc3C)n2)cc1 516713591 ADTCJOAEWSQVLD-INIZCTEOSA-N 453.589 5.663 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCC[C@H](N4CCCC4)C3)cc2Cl)c1 517421314 VVUYRVIYQQHACY-QFIPXVFZSA-N 452.986 5.273 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccco1 517449398 QXRAJAMDHBNXFC-MRXNPFEDSA-N 455.609 5.319 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 517455310 AJWYIJWHQLKGMX-TXJQDAASSA-N 487.669 6.023 30 20 JKED Cc1sc(CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)nc1-c1ccc(Cl)cc1 518155538 HFJHQXPEOKAHTL-AWEZNQCLSA-N 485.034 5.279 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)CCN2C(C)=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 518170301 VLRPBGLXPBSVDJ-UHFFFAOYSA-N 479.605 6.219 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 518255395 BLLYPDOYKDJKRF-HNNXBMFYSA-N 493.511 5.362 30 20 JKED COc1cc(CN(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1OC(F)F 518465700 NLUVVZWFMHZKOD-UHFFFAOYSA-N 452.457 5.019 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2cc3ccccc3cc2c1=O 519413250 KOEVIXFGHHYMOI-QGZVFWFLSA-N 488.638 5.695 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1 520197954 VFEGTJBSADMIHN-SJLPKXTDSA-N 450.633 6.704 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 521060191 YNAKLCKPOQMOKB-UHFFFAOYSA-N 452.967 5.241 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 521453300 PWQOPNVAVFVQSO-CLJLJLNGSA-N 459.521 5.513 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521692896 YKFVUVFOKKUNHS-UHFFFAOYSA-N 478.543 5.206 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 521733068 FCABRXCZSXAEMQ-UHFFFAOYSA-N 471.460 6.007 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)nnc2N2CCCCC2)cc1 554195024 RQFKCAXZCSHDBP-QGZVFWFLSA-N 492.674 5.107 30 20 JKED CCCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1ccccc1Br 567070466 XSEIXILWVLCBEQ-QGZVFWFLSA-N 460.441 5.552 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(CCc1ccccn1)Cc1ccc(F)cc1 588969612 ANVGNGDAIBRJHX-IAGOWNOFSA-N 491.451 5.885 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc3c(Cl)cc(C(F)(F)F)cn23)sc2c1CCCC2 589834213 CBUWCUSWEMRIGZ-UHFFFAOYSA-N 485.944 5.334 30 20 JKED O=C(Nc1cc(F)ccc1Oc1ccccc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590188993 ZFNBWIBFRHHPFF-BETUJISGSA-N 478.364 5.146 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 593021749 UHBCXJCMQXOEIK-GHMZBOCLSA-N 475.311 5.395 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1ccco1 594527042 BIFVMPMYWPSKSE-BPBCIEFSSA-N 475.618 5.574 30 20 JKED Cc1nc(COc2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc2)no1 603671891 GTEXSZKHYWHWGF-UHFFFAOYSA-N 499.474 5.147 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cs2)cc1 603764783 MBXHCZSNMHRXSU-UHFFFAOYSA-N 456.527 5.271 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 603956140 GYKRNTIGLZNELJ-UHFFFAOYSA-N 474.449 5.733 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)cn2)cc1 604136164 WJUMRYKYNXHCOO-VWLOTQADSA-N 482.927 5.243 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604488205 WHCAEVMGFWEPJO-ZIAGYGMSSA-N 453.383 5.202 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)cc1 604511023 PXIFQCPUGRHXOM-UHFFFAOYSA-N 497.495 5.756 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl 609084036 PDJPRRUJXVRDPY-UHFFFAOYSA-N 482.367 5.050 30 20 JKED N#C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(OCc2ccccc2)cc1 609172982 GWDYTDWWHHSGQQ-SANMLTNESA-N 483.955 5.124 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 609191420 NHUVPCSKVZFMQA-UHFFFAOYSA-N 482.433 5.125 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1Cl 609206162 BURYIMGVINCWAK-DEOSSOPVSA-N 487.991 5.813 30 20 JKED CCOC(=O)C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(OC)c1 609209645 GKLOAINSMXCLTB-DEOSSOPVSA-N 459.502 5.175 30 20 JKED Cc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1NC(=O)c1ccc(Br)cc1 609358688 NZRYMRBKYUDZRF-UHFFFAOYSA-N 479.378 5.690 30 20 JKED C[C@@H](Nc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 609414982 ZZBXLGUVIDNRJL-UZUQRXQVSA-N 457.534 5.455 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609436811 UYZDLMLJVLUQJG-UUOWRZLLSA-N 463.578 6.334 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 609438840 WLRNRLIMXDTALK-QVKFZJNVSA-N 486.435 5.439 30 20 JKED C=CCn1c(SCc2nc(O)c3cnn(C)c3n2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 614338569 SLVRUJQNJWIYMF-HNNXBMFYSA-N 495.678 5.018 30 20 JKED O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 622569484 BJUHMKSPTGTKCL-UHFFFAOYSA-N 488.447 6.047 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)nnc1-c1cccnc1 623133464 OFNGZSBWXJRXFM-UHFFFAOYSA-N 476.631 5.306 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 726110960 IXSHNHFXDDWWBS-BTYIYWSLSA-N 499.637 5.442 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N([C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726393415 OLPPFGXIUQUJMG-FPOVZHCZSA-N 493.551 5.179 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CC[C@@H](C)OC 726394598 WCIVFOMGJDGGCN-QVKFZJNVSA-N 490.025 5.042 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(C#N)c(Cl)c1 726407111 OJOQQTHPMNNEQH-IBGZPJMESA-N 491.400 5.162 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1)c1cccs1 726420765 MYGFNOMZXYFOTK-LFBRLHLCSA-N 457.552 5.070 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@H](C)c2cccs2)n1 726422033 RODBJWRXRAOIMI-ZMAMKNHISA-N 464.616 5.042 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(Br)c2)cc1 726572364 ZXRCPOVXROSRKO-UHFFFAOYSA-O 499.841 6.147 30 20 JKED COCCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1sccc1C)CC2(C)C 727211331 PHTOTEWGGSLJLK-AATRIKPKSA-N 470.616 5.286 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccc(Cl)nn4)c3C(F)(F)F)cc2)c1 728006791 QUCYSCTYPYXLPY-UHFFFAOYSA-N 498.852 5.037 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 728119474 MPBKAUKRXRDCTP-UHFFFAOYSA-N 478.593 5.214 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2c(c1)CCC2 728426586 WQFWIFQLXBOEJM-BVZFJXPGSA-N 495.608 5.163 30 20 JKED CCOc1cc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)ccc1O[C@@H](C)C(=O)N(C)C 728441041 CFAPGEJRFNREKW-HVJHFUJKSA-N 482.577 5.408 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2c(Cl)ccc(C)c2Cl)[n+]2cccc(C)c2)C=C1 728558519 OOFXNLTUTIPLAN-UHFFFAOYSA-O 487.432 5.991 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](O)c3ccccc3C(F)(F)F)cc2F)c1 728737998 CAUADELNIKKLJH-OAQYLSRUSA-N 473.426 5.150 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 728778909 VOEKVHRTPFAEJM-IBGZPJMESA-N 458.946 5.133 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(C)[C@@H]2CCSc3ccc(Br)cc32)c1=S 728909853 PMGKPIBBQFYUTJ-GOSISDBHSA-N 488.480 5.551 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729554084 ZOEMLTDSZDEKJH-HOYKHHGWSA-N 470.573 6.796 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2)cc1 729571889 OVMVQMUPJLUHRA-UHFFFAOYSA-N 478.499 5.742 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ncccc2C)c1 729634695 RCQXXAZCVAALPH-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1 729892558 BVNSXPLQFNQHBQ-FCHUYYIVSA-N 486.597 5.904 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1[C@H](C)c1ccc(C)s1 730715073 AYJWTKGYAKVDKW-UZLBHIALSA-N 479.631 5.130 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@@H](C)c1cccnc1 730944701 ZFEHKRPHEFIQCP-NBGIEHNGSA-N 486.641 5.982 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 731060996 SUANAMGCVNRAGG-LJQANCHMSA-N 487.581 5.010 30 20 JKED COc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1 731070773 RPQSJJKGCOCXQZ-OAHLLOKOSA-N 467.572 5.008 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCC2CCCC2)cc1Cl 731315382 DUVRJURYAZIGOZ-JOCHJYFZSA-N 497.020 5.458 30 20 JKED CN1/C(=C\C(=O)COC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)C(C)(C)c2ccccc21 732660635 CXFOAJCATLEGPC-USHMODERSA-N 496.607 5.116 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(C3CCCC3)C2=O)c1 743524546 KTFXWKNIUHDINH-JOCHJYFZSA-N 485.581 5.054 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)Nc1cc(C)ccc1F 744114485 FUAWUKSJWLRCCN-UHFFFAOYSA-O 478.613 5.714 30 20 JKED Cc1cc(C)n(-c2nncn2N=Cc2cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C)n1 744755556 REWNZABUJYQZES-UHFFFAOYSA-N 461.879 5.043 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 746696957 WYUIWSGQIWYHKG-LJQANCHMSA-N 493.551 5.481 30 20 JKED COc1c(C)cnc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)c1C 747601908 JEEXBBIARCAXLT-JOCHJYFZSA-N 492.576 5.007 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1 747603860 ZMWKRVFLFFWZHM-FQEVSTJZSA-N 485.034 5.574 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccnc(Oc3ccccc3)c2)n(C2CCCC2)c1C 749293371 QTZJGGIOWNWLFJ-UHFFFAOYSA-N 458.518 5.075 30 20 JKED CCOc1cc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C 750917345 SLHQEXMXXNOPTE-BRYHAGSVSA-N 475.557 5.468 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)cc1 751141715 JGQZIRDADIHHTO-UHFFFAOYSA-N 489.528 5.336 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(Cl)cc1 799218699 DNZYTFVHBREMOZ-QGZVFWFLSA-N 479.961 5.248 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1Cl 799219320 POWCIJIRBGRATM-MRXNPFEDSA-N 466.777 5.240 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N([C@@H](C)c2ccccn2)C1=O 837285265 MFMQURLONFZQSX-CVDCTZTESA-N 488.613 5.429 30 20 JKED CC(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2)CC1 837524013 NQRJYMAAYVLSEN-QFIPXVFZSA-N 485.053 5.173 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 837887860 OHXSAQFSYXUINW-YCRPNKLZSA-N 482.968 5.596 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)cc1 837913583 HANKEALWJVFSLK-DEOSSOPVSA-N 478.662 5.082 30 20 JKED COC1CCN(c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2C(F)(F)F)CC1 857446879 KVEDTXPYPUKBDV-UHFFFAOYSA-N 450.354 5.129 30 20 JKED COc1cc(C#N)ccc1OCCCc1nc(-c2cc(Br)cc(Br)c2)no1 904913117 VLRUWDWXMZCQPD-UHFFFAOYSA-N 493.155 5.153 30 20 JKED O=C(O)Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 915105849 HEXJJXFHBGDHQT-RMKNXTFCSA-N 456.248 5.141 30 20 JKED CCO[C@@H](C)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 915505861 TUNPJABHBLZGRX-DZZUKKPASA-N 468.575 5.206 30 20 JKED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 915570867 RPEOYPFIURAAMW-CQSZACIVSA-N 466.962 5.071 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cc(F)c(Cl)cc1Cl 915723614 UKAKERXDMJEUQP-LIRRHRJNSA-N 470.331 5.604 30 20 JKED Cc1nc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)sc1SCC#N 916090333 YMWAFCCBMHDYGF-UHFFFAOYSA-N 450.976 6.188 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C3\CSc4ccc(F)cc4C3=O)cc2OC)o1 916128627 RKSMNLKCPJYQLV-OQLLNIDSSA-N 454.475 5.165 30 20 JKED COc1cccc(NC(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)c2ccccc2)c1 916156674 WROUWBNGVRPRHL-UDWIEESQSA-N 451.906 5.271 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1 916212364 VBFOIGNKJOGQPB-SFHVURJKSA-N 460.943 5.009 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(C3CCCC3)C2=O)c1 916213047 XDDKGDOTRUWRRR-NRFANRHFSA-N 488.009 5.260 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=Nn2c(S)nnc2-c2ccccc2Cl)cs1 916276680 GGNROSQNNYECTM-UHFFFAOYSA-N 483.022 5.527 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=C2C(=O)c3ccccc3C2=O)cc1OC 916545424 INCUMORGFNMYOK-UHFFFAOYSA-N 450.494 5.078 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916845664 BIJSXTRJNHVAGQ-LEWJYISDSA-N 496.592 5.013 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 916885372 VBXYUYZYRLTJHJ-QGZVFWFLSA-N 455.898 5.063 30 20 JKED N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(SC(F)F)cc1 916887174 MUTDLVYRFAOTFV-OAHLLOKOSA-N 460.449 5.460 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 916904605 GZLZOEOTBFICPQ-OAQYLSRUSA-N 480.524 5.184 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1 916912946 COKSIYCVUUUWAR-OAQYLSRUSA-N 465.550 5.473 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1)c1ccccc1 916932563 YPNFYQFYDBAHQM-KDOFPFPSSA-N 454.313 5.490 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCc3cn4ccccc4n3)n2)cc1 916974624 OFIUQJSXPIFZGX-QFIPXVFZSA-N 464.550 5.835 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1 917042479 BUJCGZNPDXRCDV-PMACEKPBSA-N 459.958 5.687 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=Nn1c(C)nc2sccc2c1=O 917579510 BGTHMDJALAYKES-UHFFFAOYSA-N 466.781 5.162 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1cc(Cl)cc(Cl)c1 917636880 WWIFQOISPCENAO-AWEZNQCLSA-N 462.280 5.260 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(C)s2)C1=O 917682995 OUFKVKXWZPFUQE-JOCHJYFZSA-N 479.627 5.534 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1C#N 917700274 CREJVVDCKKUCAI-LJQANCHMSA-N 488.585 5.489 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)CCc3ccco3)C2=O)cc1 917704023 QMIRJZXOYMHDBT-CYFREDJKSA-N 486.597 5.441 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CC1(c2ccccc2)CC1 917704723 XVCJSCGLQAGDIJ-XMMPIXPASA-N 480.593 5.250 30 20 JKED C=CCN(C(=O)Nc1cccc(NC(=O)c2ccccc2I)c1C)C(C)C 918044261 KRROWZDUBZIPCS-UHFFFAOYSA-N 477.346 5.280 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 918488567 CLGLGAANYZKNJF-INIZCTEOSA-N 490.437 5.907 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1C 919195379 FPNNPIPYCJRHCD-UHFFFAOYSA-N 487.604 5.093 30 20 JKED Cn1cc(/C=C/C(=O)c2ccc(-c3ccccc3Br)s2)c(-c2ccncc2)n1 920065804 LYGNBEZJEGGMQV-VOTSOKGWSA-N 450.361 5.869 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920357655 VSWUYASEYWDARD-NRFANRHFSA-N 498.992 5.196 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1F 921252429 FCUASFSRELODMX-FQEVSTJZSA-N 497.514 5.020 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 928284299 HOAXRRJAJPPCOR-IBGZPJMESA-N 485.544 5.073 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)s1 1786036156 LHMIGBYLBAMDRN-UHFFFAOYSA-N 459.571 5.009 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c(C)oc4cc(O)ccc34)CCC2)cc1 1786678856 CWJPBYGXWBMALU-UHFFFAOYSA-N 450.560 5.114 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)F)c4)cc3)CCC2)c(Cl)c1 1787018799 QMROKOJORIZHDB-UHFFFAOYSA-N 480.902 5.606 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4F)cc3)CCC2)cc(C(F)(F)F)c1 1788856959 DQQJZZKKODDIQE-UHFFFAOYSA-N 482.437 5.173 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](S)C(C)C)CCC4)cc3)cc2c1 1789240551 AGEDVLPFBALNAB-QFIPXVFZSA-N 452.576 5.144 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)c4cccs4)CCC3)cc2)c1 1790076305 CUPZNHZPJYEDHT-KRWDZBQOSA-N 459.571 5.180 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5[nH]4)CCC3)cc2)c1Cl 1790084013 UADCEPRWSBLRMC-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)C[C@H]3C)CCC2)cc1 1790518969 BFOUVJIXAQQQEY-JDITYXQVSA-N 469.626 5.026 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C4CC4)CCC3)cc2)c(Cl)c1 1790764281 SRCIMRIOJKXXRK-UHFFFAOYSA-N 476.989 5.607 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)Cc3cc(Br)ccc3Cl)cc2)CCC1 1791198365 DYELHTQWNCFPRS-UHFFFAOYSA-N 473.798 5.193 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H](c3ccccc3Cl)N(C)C)CCC2)cc1)C(F)(F)F 1791305259 HWIROHDAGKMXGD-HXUWFJFHSA-N 479.930 5.195 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CNc4ccccc4C3)CCC2)cc1 1791727966 OATRWXSWAAAXMK-JOCHJYFZSA-N 457.618 5.379 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3sccc3Cl)CCC2)cc1 1792240241 RXEXCKKRDYVAEH-UHFFFAOYSA-N 465.962 5.100 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc4occc4c3)CCC2)cc1 1792240425 BXWGIFDANSHQCS-UHFFFAOYSA-N 465.509 5.131 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(Cl)cn3)cc1)C2 1798333706 NQABZHFDQTURER-KHUIQGCPSA-N 480.008 5.548 30 20 JKED Cc1cc(Br)sc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C2 1799429612 MWZHKHSYCSPSSF-BCDXTJNWSA-N 495.559 5.122 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)C3)c1 1800766880 IZHMVVNYASZOQJ-KOUNCHBCSA-N 489.925 5.033 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C 1800832581 FQARDHXPACXENE-WJMWBRGCSA-N 469.626 5.114 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[C@@H]2c2cccnc2)C1 1802416356 JSYYZHMMNOPNJC-JIPXPUAJSA-N 496.636 5.577 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)[C@@H]1c1cccnc1 1802499810 JEDYYFKDNVUZPW-WIOPSUGQSA-N 458.606 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)[C@@H]1c1cccnc1 1802501945 DHOJDNRUANBGOG-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1803084155 OFFJJIZFSBHBHZ-SQHAQQRYSA-N 468.601 5.026 30 20 JKED N#CC1(C(=O)N2CC[C@@H](CNC(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@H]2c2cccnc2)CC1 1803220618 CYWNMJOTVFAOHK-QFLVKRMUSA-N 491.035 5.019 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c(-c4cccc(OC)c4)c3)CC2)C1 1805450718 UCFJNZXIVRSLPV-UHFFFAOYSA-N 475.633 5.304 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC4(CCN(C(=O)c5cccc([C@@H](C)C#N)c5)CC4)C3)sc2c1 1808824804 AUPRUNBVTPKANT-FQEVSTJZSA-N 486.641 5.390 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)[C@H]1c1cccnc1 1810502072 LFRXPPFYISEADT-YKSBVNFPSA-N 497.039 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c(OC)c(C)c2)[C@@H]1c1cccnc1 1810504509 ZVZHBKUSGJCQNC-LADGPHEKSA-N 463.622 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1810759587 UKCYYDHYSODBTD-MZYLBHOOSA-N 487.522 5.068 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1811421278 YFZHFAROUKNEAX-HLFHMTEMSA-N 493.051 5.389 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c(Cl)c1 1811744423 ATELTYKKSCREBK-AVRDEDQJSA-N 490.972 5.048 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)[C@@H]2c2cccnc2)c1 1811944004 JTBQPDAZKKHMMR-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1812114114 ZPTGOPNYHGZARS-QFQXNSOFSA-N 489.019 5.371 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1812259653 YBURDYCVBJLNBG-RLWLMLJZSA-N 489.019 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1812935496 PLFHLFBNFCAXJH-CUNXSJBXSA-N 490.623 5.333 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)s1 1813371347 VASRMVUCFSRXNL-ODESFVKMSA-N 491.016 5.010 30 20 JKED Cc1cc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c(C)c1 1813789867 MRUZMHGBCCRNSH-AEAGWUPHSA-N 480.612 5.267 30 20 JKED CC(C)Oc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCC3CCCC3)[C@@H]2c2cccnc2)cc1C#N 1813958851 DHHLFLRZUXCFBH-UFHPHHKVSA-N 488.632 5.030 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c1Cl 1814582215 VZAILZAXKGRONE-LJQANCHMSA-N 486.334 5.347 30 20 JKED Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)cc1 1816947583 ZAWJJXLJMJNOIE-JOCHJYFZSA-N 495.505 5.157 30 20 JKED Cc1ccc2oc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)cc2n1 1817690960 NUJOPZCSMRDEBS-IBGZPJMESA-N 488.935 5.004 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)cc1C 1819384547 QMRBHAHKMRTVQG-HSZRJFAPSA-N 494.712 5.013 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCn2cccc2)n[nH]1 1819524316 IUCCSKGGBZTJMD-HSZRJFAPSA-N 481.717 5.125 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2occc2NC(=O)OC(C)(C)C)n[nH]1 1820370046 YRQTUOAOFWXNFU-PXNSSMCTSA-N 497.596 5.424 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1)c1ccc(O)cc1 1820807498 KUDLOBYEMHTMQO-XUZZJYLKSA-N 462.594 5.051 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820962385 DWNONABCZYPNOA-QFIPXVFZSA-N 486.657 5.278 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CCc4cccc(Cl)c43)n[nH]2)c1 1821777044 RTUGZXRIUXJQDH-JTSKRJEESA-N 491.954 5.110 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)n[nH]1 1821849220 GFGGYXRZHCOTIS-PZJWPPBQSA-N 474.527 5.432 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1821990291 LSMIQJDXGAMVAE-MRXNPFEDSA-N 474.405 5.085 30 20 JKED Cc1ccc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1823144746 AMAGARXXTZMLLK-YADARESESA-N 455.562 5.273 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1C 1823210809 IQTLHZIGHUHHHB-NBGIEHNGSA-N 469.589 5.202 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4c(c3)CCCC4=O)[nH]n2)c1 1823215453 RZQIBZDLUMDRBS-AVRWGWEMSA-N 495.583 5.175 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)[nH]n2)c1 1823216567 WRPDWDHKHXLNSV-UHUZZHMISA-N 467.520 5.088 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823312246 KMFZVNWHTWXVFF-KRWDZBQOSA-N 497.846 5.051 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)[nH]n2)CCC1 1823381922 MZKFEEUVBMLILB-KRWDZBQOSA-N 479.890 5.082 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C)cc2C(F)(F)F)CC1 1823751951 FKNQNBQLUZVFCR-OAQYLSRUSA-N 467.576 5.270 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)nc3ccc(F)cn23)CC1 1823753051 BZXHGPAGRKICHZ-QFIPXVFZSA-N 468.617 5.008 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1823811536 JYSOLUALHJYWHN-AHWVRZQESA-N 490.047 5.104 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1823886765 OPDQYTBLKAMGGQ-RUZDIDTESA-N 483.616 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1 1824142535 WEDTXBVPSCKDMZ-ZJSXRUAMSA-N 454.577 5.292 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1824539244 QNKASVYRVGPWHR-DHLKQENFSA-N 496.758 5.243 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1824539890 DLVMCIFNRMYQKK-IRLDBZIGSA-N 463.043 5.274 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 1825234483 MQIJAYLNGLXXPD-XXBNENTESA-N 499.055 5.155 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cnccc3n2)CC1)c1ccccc1 1828119076 ZPBPTLWFBUYQLQ-UHSQPCAPSA-N 494.639 5.060 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828244232 VFXVVCIJPYCXDE-AREMUKBSSA-N 462.634 5.207 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1828464134 YSIYGRAHFYAAQG-WELLZUMNSA-N 491.676 5.163 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc3ncccc23)CC1 1828821711 QGOWORJVHCLTIL-SHQCIBLASA-N 459.634 5.165 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(-c3cccnc3)n2)CC1 1828824183 FNLITLPMSMVHFO-UPVQGACJSA-N 478.662 5.207 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c(C)noc2C)CC1)c1ccccc1 1829029840 GRSOZMQOJZYRDX-IZLXSDGUSA-N 489.660 5.041 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1829419698 YIBNQJUMQWNGQG-RUZDIDTESA-N 498.652 5.423 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)c1 1829676388 ZPUUCWHMLYJUTF-MUUNZHRXSA-N 499.655 5.312 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1)C(F)(F)F 1830654290 QCQCJUGVPROMAM-KRWDZBQOSA-N 481.317 5.484 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1831444812 WXHXVCXZAVZNHE-QGZVFWFLSA-N 462.459 5.052 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831724197 JUOYGPLTMOGUBF-HHHXNRCGSA-N 479.640 5.628 30 20 JKED CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CCCCC1 1831792860 XTPJSHRPFKIDBH-NRFANRHFSA-N 490.570 5.176 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)Cc3ccccc3)CC2)c1 1832037466 PQUFDTFWHMPYTM-MRJKTFCFSA-N 471.645 5.426 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)c(F)c3)CC2)c1 1832732386 SCRMTBJCLFBRIS-SANMLTNESA-N 489.591 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)CC1 1833929679 OMMSCLOFXJCRRW-UHFFFAOYSA-N 490.692 5.168 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)c1 1845485933 JDCIWAXWAUJRCR-UHFFFAOYSA-N 484.556 5.038 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2cccc(C)c2)c1C 10168324 SZFNYIKVEQQDQT-UHFFFAOYSA-O 464.611 5.072 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)cc1 10179851 GXVOJUYUIJZRTL-UHFFFAOYSA-O 489.661 6.217 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179865 WQDZJNUXUSPFFF-UHFFFAOYSA-O 475.634 5.872 30 20 JKED Cc1ccc(-c2csc3nc(S[C@H](C)C(=O)NC4(C#N)CCCCC4)n(C)c(=O)c23)cc1C 10792956 ZKFRHADDJDBOMX-QGZVFWFLSA-N 480.659 5.102 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2cccc(Cl)c2)cc1 10831637 VHQCHUZKBBZCQX-UHFFFAOYSA-O 499.056 5.753 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2scc(-c3cccs3)c2c1=O 11382708 CEKDWHSORXSCGJ-UHFFFAOYSA-N 499.639 5.121 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1cccnc1 14110414 PLFPFBHOTGPRNK-UHFFFAOYSA-N 454.770 5.217 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22691266 LOKVVFSJBQRNCG-SANMLTNESA-O 487.689 5.570 30 20 JKED C=CCn1c(SCc2nc3c(C)cccc3c(=O)[nH]2)nc2cc(-c3ccccc3)sc2c1=O 23105679 XPMOSBJAZKIRQV-UHFFFAOYSA-N 472.595 5.148 30 20 JKED COc1ccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)s2)cc1 23362157 MJWDWIBTRLTCIS-MRXNPFEDSA-N 453.593 5.026 30 20 JKED COc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 25115769 SGXGXGDXKOILAA-UHFFFAOYSA-N 451.866 5.193 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28649163 FYFRZRJFDNXQKR-UHFFFAOYSA-O 489.661 6.317 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)c1C 28793487 HISZFFNEPCTOSX-UHFFFAOYSA-O 474.650 5.668 30 20 JKED N#Cc1c(CCCNC(=O)c2ccccc2SCc2cccs2)nn(-c2ccc(F)cc2)c1N 31796460 AHMGVBHNTLWBFD-UHFFFAOYSA-N 491.617 5.182 30 20 JKED N#CCCCOc1cccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)c1 110403499 RNXYUBWGPPICLL-UYRXBGFRSA-N 456.930 5.027 30 20 JKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 195686943 PAMJQCNZDQJFPG-UHFFFAOYSA-N 470.573 5.638 30 20 JKED CCOc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3C#N)n2-c2ccccc2F)cc1 248378673 KGJLQPMSJONXEM-UHFFFAOYSA-N 487.560 5.465 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nc2sccc2c1=O 303052406 RZCOZJKLHVXLMN-UHFFFAOYSA-N 460.378 5.354 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 303134276 OYAMCWZQXJHGQW-UHFFFAOYSA-N 488.975 5.171 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(F)c(Cl)c2)c1 303183054 XRIRWHUHITYIGL-UHFFFAOYSA-N 453.926 5.012 30 20 JKED Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(=O)c12 303344927 ZJVMIAKKJIHONJ-INIZCTEOSA-N 474.611 5.466 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 303345644 MNUXFRLPSZKQEJ-UHFFFAOYSA-N 456.546 5.099 30 20 JKED C=CCN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476704943 XJLYWZYGTJORGU-UHFFFAOYSA-N 495.453 5.672 30 20 JKED N#CC1(C(=O)Nc2cc(NC(=O)c3ccccc3I)ccc2F)CCCCC1 478271383 AIBHSLSMISAZHJ-UHFFFAOYSA-N 491.304 5.095 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(Br)c2)cc1Cl 484044371 PNATXRRZQANJPZ-HXUWFJFHSA-N 482.765 5.013 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cccs2)cc1 495457255 SEQBIYQZFVRIRZ-XMMPIXPASA-N 466.628 5.468 30 20 JKED C=CCn1c(SCC(=O)NCc2cc(Br)ccc2F)nnc1-c1ccc(Cl)cc1 499953663 JCCLTPBNHOQYQG-UHFFFAOYSA-N 495.805 5.095 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1OC(F)F 500402097 XYZQDXAHRFFOEU-QGZVFWFLSA-N 451.473 5.816 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1ccccc1 503212579 XLJAVPFCJJLDPW-KRWDZBQOSA-N 489.626 5.564 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1I 508941302 ISNGXKOCVNUJSX-UHFFFAOYSA-N 475.267 5.052 30 20 JKED CCN(C[C@H](C)C#N)C(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 509962062 VYRPAMACZXDASA-QGZVFWFLSA-N 490.073 5.424 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(CC(F)(F)F)CC2)cc1Cl 510006826 UUVADDDVWCIEHU-IBGZPJMESA-N 450.892 5.097 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1Cl 510023806 OXHFWCNSKJQLSC-VWNXMTODSA-N 473.960 6.136 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 512034789 JLBGSTQWJGZJIB-PMACEKPBSA-N 456.615 5.566 30 20 JKED COC[C@H](C)n1c(SCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnc1-c1ccccc1 513751576 FWKQNGGPGUUXQL-IBGZPJMESA-N 499.596 5.547 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 515649671 UUSQEBVWUFDQMP-DEOSSOPVSA-N 475.548 5.476 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)cc2Cl)cc1 516005628 DFULULNAONSUEH-UHFFFAOYSA-N 468.900 5.904 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2OCc2ccccc2Br)n1 516793116 HWVRBLJKYLLIJS-INIZCTEOSA-N 485.359 5.151 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)cc2)c1 517530232 LSWPDMKKHVGZOH-UHFFFAOYSA-N 475.552 5.630 30 20 JKED CN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 518191938 WDQODFQEGAWNAL-NRFANRHFSA-N 496.792 5.355 30 20 JKED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 518672129 VGEIJCQAWSYZIH-FQEVSTJZSA-N 486.330 5.051 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)cc1 518688916 XTQAWTPVTLYDFC-UHFFFAOYSA-N 482.378 5.691 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 519441873 SHDAIPJCPNSZDR-QAPCUYQASA-N 463.525 5.553 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 519450638 HKMANJNGYTULQO-KRWDZBQOSA-N 462.550 5.651 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2cccc(C#N)c2)ccc1Oc1ccc(Cl)cc1Cl 519878502 RLPCCORARJVPBG-UHFFFAOYSA-N 454.313 5.221 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nnn(-c3ccc4ncccc4c3)c2C)cc1 520918075 UCKCJQDTERQLIO-UHFFFAOYSA-N 476.496 5.049 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 520927992 DPZGQSQBIYLTQY-QGZVFWFLSA-N 483.590 5.582 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)s2)cc1 520942755 MXPFELYASWFHSI-SFHVURJKSA-N 496.592 5.907 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 524440424 MHOKVAXAIUFFDL-HHHXNRCGSA-N 454.574 5.404 30 20 JKED Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(OCc5ccccc5C#N)cc4)C3)[nH]c2c1 550661985 LPWZJCREWMHWMY-JOCHJYFZSA-N 450.542 5.342 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 553063473 XQYILOLNMJKHGD-MHZLTWQESA-N 487.625 5.102 30 20 JKED C=CCc1cc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2C)cc(OC)c1OC 588796076 BXIGQVMMTNOOAD-RUZDIDTESA-N 470.569 5.341 30 20 JKED N#Cc1ccc(OCC(=O)N(c2ccc(Cl)c(Cl)c2)c2nc3ccccc3s2)cc1 603006806 MCHMVNNIVOIXEW-UHFFFAOYSA-N 454.338 6.218 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1Cl 603766218 NJHOHDLIMKRJEU-RUZDIDTESA-N 489.966 6.495 30 20 JKED C[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 604044885 GYCBXWNNVUILIG-DLBZAZTESA-N 478.955 5.210 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3c(F)cccc32)cc1Cl 604141141 UMTLJGUADDZOQQ-KNQAVFIVSA-N 479.964 5.426 30 20 JKED COc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604476457 GHEUQQPCDFFNHE-HOYKHHGWSA-N 475.976 5.080 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604488203 WHCAEVMGFWEPJO-FICVDOATSA-N 453.383 5.202 30 20 JKED CC(C)(CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 608905007 FIJPAAYCALNDNN-UHFFFAOYSA-N 485.466 5.098 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)Nc3cc(C#N)ccc3OC(F)F)ccn2)cc1 609082671 UKNOXCGUAUXYMR-UHFFFAOYSA-N 454.433 5.067 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3[nH]c4ccccc4c3Br)cc2F)c1 609110823 UIOYZAJYSYDDKH-UHFFFAOYSA-N 464.294 5.772 30 20 JKED N#C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1ccc(OCc2ccccc2)cc1 609172640 ABSCCZGOMKCMIM-GJZUVCINSA-N 486.547 5.030 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)s2)cc1OC 613314786 ZTYHTPOJSSHZDX-SFHVURJKSA-N 475.595 6.058 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 613319629 INCFFMQBWJFGOZ-LJQANCHMSA-N 465.987 6.298 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 613874438 XTSQNJTXPSBUOA-IBGZPJMESA-N 492.645 5.889 30 20 JKED O=C(NC1CC1)c1ccc(CN(C(=O)Nc2cccc(C#Cc3cccs3)c2)C2CC2)cc1 642480433 UJVGVYZZZABTSD-UHFFFAOYSA-N 455.583 5.237 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccs2)c1 726397473 OMPNHTIWIZIIOJ-QFIPXVFZSA-N 495.626 5.234 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 726397538 IGLKIFDORMYLKW-MBSDFSHPSA-N 461.587 5.225 30 20 JKED CC(C)Oc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1 726570726 JFYMHIWWIRSVNF-UHFFFAOYSA-O 450.971 5.610 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2ccc(CCC)cc2)c1 726572833 HMUXTMGNDKNWEK-UHFFFAOYSA-O 453.631 6.110 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c1C 727650561 MLKYSTIDXKDWQQ-VWLOTQADSA-N 498.608 5.366 30 20 JKED CCOc1cc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)ccc1O[C@H](C)C(=O)N(C)C 727780099 HBJJRGIEUXCLMQ-QIXNEVBVSA-N 464.587 5.269 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(O[C@H](C)C#N)cc1)C(=O)c1ccccc1 728699531 TVKVCXUCHTYICA-CQKAXJAZSA-N 452.554 6.007 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2C(F)(F)F)C[C@H](C)O1 729374708 WAXGVJBVEGDXMS-HOTGVXAUSA-N 456.468 5.050 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1 729562479 XUDHOEKOSUIUOC-ISKFKSNPSA-N 496.652 5.144 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2c(C)noc2C)c1 730444364 MOGBMHKKRUZUGA-DEOSSOPVSA-N 490.629 5.365 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cocn3)C2=O)cc1 730715324 LYJJOXGPMVOVQW-NRFANRHFSA-N 498.992 5.277 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 730899714 WRYQAJGHEBPJCO-HSZRJFAPSA-N 469.463 5.206 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 730944582 YJTDNDZXQPVNDN-BVZFJXPGSA-N 498.583 6.095 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 731063868 NJRLDRUXMQODAT-OAHLLOKOSA-N 486.018 5.582 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 731069084 DKPRBFOHXBINEQ-ZWKOTPCHSA-N 494.642 5.089 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731309451 STCFAMWQCYFHRF-IBGZPJMESA-N 490.368 5.453 30 20 JKED O=[N+]([O-])c1ccccc1-c1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)o1 745988768 KPGYRLZIBWADRK-UHFFFAOYSA-N 490.328 5.503 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 747804820 UOCSNAOILDIXPX-ZODMCCGTSA-N 492.645 5.170 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 747804853 UOHAGLZBNKTMDA-SQJMNOBHSA-N 482.625 5.375 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc(OC)c1OC 747976899 GBADREVZROXNQE-UHFFFAOYSA-N 465.594 5.159 30 20 JKED COc1cc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCC(F)(F)F 749794658 XXYUFXWOAUKBCB-JOCHJYFZSA-N 468.475 5.863 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OC(F)F 750896127 NSCXSPDFHMAWDG-FNORWQNLSA-N 457.267 5.363 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O[C@@H](C(C)=O)c2ccccc2)ccc1Cl 783671893 OAXAOHCTPZBTPT-DEOSSOPVSA-N 483.973 5.208 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(CSc3nc4ccccc4s3)n2C)c1C#N 817922706 KMTRBYBEFWZGKZ-UHFFFAOYSA-N 489.655 5.375 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)NC(c3ccccc3)c3ccccc3)nc(O)c2C#N)cc1 824940764 BTHFJNGGICFGOF-GOSISDBHSA-N 496.592 5.116 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnc1-c1ccncc1 824989336 YUMDJKWKFMPSEP-UHFFFAOYSA-N 455.547 5.672 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 837302257 XAXXUUILDFWUIO-SZNDQCEHSA-N 484.503 5.220 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccc(F)cc1 838483984 UVEZDDNRYGLCAH-HSZRJFAPSA-N 493.560 5.003 30 20 JKED COCO[C@@H](C)c1cc(F)c(CNc2ccc(OC(C)C)c(C#N)c2)cc1Br 864038874 CLTXJCGYHRBLCM-AWEZNQCLSA-N 451.336 5.541 30 20 JKED Cc1c(NC(=S)NN=Cc2ccc(-c3ccccc3Cl)s2)c(=O)n(-c2ccccc2)n1C 873968046 CIRXQVOMISIUHY-UHFFFAOYSA-N 482.034 5.187 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Oc2ccc(C(C)=O)cc2OC)ccc1Cl 900691067 JEEACGZYKOYNFO-UHFFFAOYSA-N 499.972 5.152 30 20 JKED N#CC[C@H](Cc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1)c1ccccc1 904669121 RTURRFCIVQDUFE-QGZVFWFLSA-N 484.865 6.836 30 20 JKED COc1cc(/C=C\C(=O)N(Cc2ccco2)c2ccccc2C#N)ccc1OCc1c(C)noc1C 914521714 JYRMPMNBFMZEAS-QBFSEMIESA-N 483.524 5.590 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](C)Cc2cccs2)C1=O 914694341 HUEMOJGXWYLIAD-HTAPYJJXSA-N 479.627 5.348 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)n2)cc1 915099924 GSIIBUSGEYZGSP-UQBDUDKASA-N 455.583 5.247 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(OCc3cccs3)c2)n(Cc2ccco2)c1C 915464533 GPFRRTGVSBIPEC-UHFFFAOYSA-N 489.553 5.054 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccco2)C1=O)Nc1ccccc1C(F)(F)F 916205180 IIQSZIGYEGHCOP-LJQANCHMSA-N 491.466 5.598 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C[C@@H]2CCCO2)C1=O)Nc1ccc2ccccc2c1 916208358 AEHAUACDSSTSHN-NZQKXSOJSA-N 477.561 5.118 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1Cl 916208916 AFGJKCSRWOIBAD-OAQYLSRUSA-N 467.978 5.100 30 20 JKED CC(=O)N(c1nc(C=NNc2nc(C)nc3sc4c(c23)CCCC4)cs1)c1ccc(F)cc1F 916312032 LLLKSLOCKHRYHN-UHFFFAOYSA-N 498.584 5.744 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2nc(Cl)c(Cl)cc2Cl)cs1 916318658 WZGJNPBHNMSHFJ-UHFFFAOYSA-N 468.797 6.246 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916902361 FYNUACYXTGKLFJ-CYBMUJFWSA-N 478.776 5.656 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916919608 YJQXCMQKZUDODP-RSXGOPAZSA-N 460.489 5.255 30 20 JKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916932475 WFVRODUBKDTOIF-MRXNPFEDSA-N 460.342 5.229 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916938792 NVLKSAUCTUSZNI-GOSISDBHSA-N 463.871 5.582 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916946500 WSXHOYVIIKUKAT-KRWDZBQOSA-N 460.342 5.477 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1 917038940 WTSGVBIMIOPWRT-XETPZZHUSA-N 450.947 5.116 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)cc1 917685064 TYNHNWWGGORUCH-OAQYLSRUSA-N 465.600 5.307 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(F)c1 917688027 ZJVPSHRSEQLVFS-SFHVURJKSA-N 498.407 5.438 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(C3CC3)C2=O)cc1 917698671 YPTAJWXMIXHRGL-HSZRJFAPSA-N 458.587 5.029 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccco3)C2=O)cc1 917705214 XAUMCMBYDJUNFT-HSZRJFAPSA-N 488.569 5.101 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(Cc2ccccn2)C(C)C)ccc1Cl 917775970 CUUNUDVVRQCJOD-UHFFFAOYSA-N 484.021 5.167 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2ccc3c(c2)CCC3)C(=S)N[C@H]1c1cccc(C#N)c1 918106835 QOXXDEISDPHPFK-MHZLTWQESA-N 494.620 5.404 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccc(Cn2cncn2)cc1 918556337 OPJOQERQAZEGCM-DEOSSOPVSA-N 498.568 5.161 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920353549 MNJXONZYXLSHON-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cnc(-c3ccccc3F)s2)n(C2CCCC2)c1C 920697452 BGCZOMCPSSOQOP-UHFFFAOYSA-N 466.538 5.150 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1nc(-c2c(F)cccc2F)cs1 920805888 GZXQGSRSOUECEG-AWEZNQCLSA-N 498.511 5.355 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H](C)COCC(F)(F)F)C2=O)cc1 921254708 ZTAMAMIXPVVBTQ-PXNSSMCTSA-N 493.551 5.231 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(Br)nn(C)c5c4)CCC3)cc2)C1 1785806708 OFHFZKCRJQJUDB-UHFFFAOYSA-N 493.405 5.050 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1786144078 LZEJTARJVFEJBZ-OYYPCOLYSA-N 493.648 5.287 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4cccc(Br)c34)cc2)CCC1 1786195226 ROAAILYWPAFTHF-UHFFFAOYSA-N 492.417 5.411 30 20 JKED C[C@@H](Oc1ccccc1)C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649881 FFGLUTAKFJEJHO-JUWJPQTCSA-N 474.582 5.089 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc4nn[nH]c34)cc2)CCC1 1790093111 SOVLVKJIZORCJZ-IBGZPJMESA-N 463.969 5.127 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)nc5ccccc45)CCC3)cc2)c1 1790144928 WPXGHGLKVWGYSQ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4cn3)cc2)CCC1 1790833030 SYQUPVNRIKHEGN-UHFFFAOYSA-N 473.649 5.627 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5c(F)cccc5n4)cc3)CCC2)c1 1790918360 MGSCOQBNHHYOGS-GOSISDBHSA-N 481.531 5.162 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790947132 ZUXSUGQIEUMJOK-INIZCTEOSA-N 459.571 5.494 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1791299469 JZRBDHGEGVFAPF-UHFFFAOYSA-N 475.948 5.909 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1791727965 NTJUZPKLUXGDEX-UHFFFAOYSA-N 466.006 5.891 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3)CCC2)cc1 1792239885 CQAMAXXJEOIYQL-UHFFFAOYSA-N 459.933 5.038 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)cc2)CCC1 1792332864 GWBZINSHRPFADL-WIYYLYMNSA-N 457.615 5.026 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC2CC2)cc1F)c1ccccc1 1800261839 LDQUQHCOKLUWGE-OUJSJNLKSA-N 488.603 5.064 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1Cl 1800315973 XYHPCAQSHJDYOK-QMZRJTEUSA-N 480.008 5.320 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)ccnc2c1 1800881112 WLFMVSYXJBQNGL-WKCHPHFGSA-N 482.100 5.191 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Br)cc3)CCCC1)C2 1801638112 FFSCZFYQYPKKBH-MVWVFHAYSA-N 473.455 5.111 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1802500311 MKAALQRWEOGMSF-KNQAVFIVSA-N 491.529 5.552 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(CCCCC)cc3)[C@H]2c2cccnc2)C1 1802995622 UGERYCOUNBQNIT-WNOVHWRBSA-N 471.645 5.500 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ncc(OC(F)F)cc3Cl)CC2)C1 1804858587 SOVHUUIXEBVVSZ-UHFFFAOYSA-N 483.987 5.174 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C(F)(F)F)cn3)CC2)C1 1805450259 DGPRUWMXPWTIRS-UHFFFAOYSA-N 477.571 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(OC)cc4)CCC3)CC2)C1 1805457799 WQLOVLBTRGZKRU-UHFFFAOYSA-N 464.650 5.117 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3cc4cc(-c5ccccc5)ccn4n3)C2)CC1 1810452516 XSVQSTIIWBGREV-UHFFFAOYSA-N 492.570 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1810681525 FMDUUHKBGZVWBQ-UGKGYDQZSA-N 457.977 5.186 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#Cc4ccccc4)cc3)[C@H]2c2cccnc2)o1 1811252799 XVUVWMJLCLFNEJ-XRKRLSELSA-N 489.575 5.016 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1811285382 FRZJOEMTWWIOJW-WXVUKLJWSA-N 472.614 5.081 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc4occ(Cl)c4c3)[C@@H]2c2cccnc2)cc1 1811435925 PXHXULMUPLNXRX-NVQXNPDNSA-N 498.970 5.181 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)c1 1811939351 HPDPPBDNTCXUAT-YKSBVNFPSA-N 493.394 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1812370943 UHBBCONFOUGJOA-URXFXBBRSA-N 482.694 5.583 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812669182 ULPTZMPKVDRPCB-PMVMPFDFSA-N 489.994 5.392 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1812669802 BFMDYOLGSCYYIN-RSXGOPAZSA-N 483.603 5.274 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@H]1c1cccnc1 1812955812 DQVHZSSTZJPJPK-WCAVRKLYSA-N 486.443 5.338 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)cc2c1 1813866190 MUVSFXMFHMVDSQ-ZQSLEGLSSA-N 491.595 5.132 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814380732 XLFQGNZFJBEAPE-UWJYYQICSA-N 493.658 5.149 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)[nH]n1 1814828539 FABSKIWNRHTSHA-FQEVSTJZSA-N 466.973 5.014 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815218730 RRUXXHQARFINRN-VGSWGCGISA-N 472.545 5.206 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1815245888 VTMYXPYFWNUMPQ-WFASDCNBSA-N 461.440 5.038 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3)n[nH]2)cc(C(F)(F)F)c1 1816793521 HVHUFOSHVYUYPQ-QFIPXVFZSA-N 495.505 5.239 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1817093991 ZKEBUTNBWATXDR-INIZCTEOSA-N 494.411 5.145 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1)C(F)(F)F 1817679521 YDIDPMOZVOZIAY-CQSZACIVSA-N 483.903 5.097 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679735 NGOLXAKPQPKPDG-HNAYVOBHSA-N 484.025 5.747 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)oc2ccccc12 1818569051 UEQLKLIYENCCHH-CVTTXWKISA-N 488.569 5.271 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4cc(OC)ccc4o3)sc2C1 1818963319 ICWBWDYRXFRTSK-INIZCTEOSA-N 467.591 5.116 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)[nH]n1 1819306645 BPKCGSCOOGFKKN-FBPBVXOASA-N 467.013 5.627 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(Br)nc2C)[nH]n1 1819555009 WEHYFFFWAOSRNY-HNNXBMFYSA-N 494.459 5.235 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3Oc3ccccc3)n[nH]2)c1 1820437885 NRHSPYRMUSETGS-QHCPKHFHSA-N 480.528 5.021 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)n[nH]2)C1 1821156426 RQJNURWJZLLZMR-DEOSSOPVSA-N 457.578 5.089 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1 1821179819 FRVDLGBUWACFOU-DTKKNGCVSA-N 485.613 5.396 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(Br)c(F)c2)n[nH]1 1821790776 RSVSVFXVMLHTOM-FOIQADDNSA-N 491.405 5.148 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1822582820 XIVVSDNPYUBBSI-FQEVSTJZSA-N 451.958 5.044 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)c3cccs3)n[nH]2)c1 1822709235 UQRLMCQRDCJINH-LLGFUMIMSA-N 461.591 5.208 30 20 JKED Cc1ccc(/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)s1 1822738498 TXDHRMQCMZQZML-DEWVLAIRSA-N 473.602 5.426 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823214722 IWAUUXLFHVCIOW-FCQSBEGTSA-N 499.640 5.957 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(F)CCCCC3)[nH]n2)cc1C#N 1823292871 VNGGTRKXIZSZAH-OAQYLSRUSA-N 481.572 5.047 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)[nH]n2)CCC1 1823379250 QLOLLESYAFWHBH-HSZRJFAPSA-N 469.545 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824137782 ONQOJBRBNURDIG-NDEPHWFRSA-N 494.676 5.436 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1 1824760598 RKEPSWLJIYTRRJ-LOSJGSFVSA-N 497.680 5.006 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1 1826264132 BNWPIZDQFNRSLI-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccsc2)CC1)c1ccc(O)cc1 1827104850 HWXJLXYQMZYLET-BDYUSTAISA-N 492.685 5.203 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330926 IXUYVIOZTBMDSG-RUZDIDTESA-N 481.587 5.502 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1 1827923964 CYDGXRCXOQUOAJ-OAQYLSRUSA-N 473.589 5.255 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828149162 IPFFPNWFPILOPC-AREMUKBSSA-N 474.004 5.106 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828507785 BSVCVNDGOITIMG-QHCPKHFHSA-N 469.423 5.412 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc3c2CCCC3)CC1 1828569570 XGLDHCALEAINDL-FQEVSTJZSA-N 450.595 5.072 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1828744964 NQNXWLDPMHTQQJ-XMMPIXPASA-N 492.982 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1828822553 ZHUWSTQBEJHSQP-VPUSJEBWSA-N 474.645 5.607 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828828675 PHZHXZJQMUBKCT-CPJSRVTESA-N 469.576 5.448 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1828906494 PCRXPVGWYXCMBF-SANMLTNESA-N 483.773 5.329 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)cn2)CC1 1829069264 TXHUGSTVLGSLRS-OAQYLSRUSA-N 476.459 5.070 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830597382 WOIVSDKZOPILFE-HSZRJFAPSA-N 458.668 5.016 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(Cl)cc1 1830627674 HZDCEQTZZYSHSW-IBVKSMDESA-N 478.036 5.443 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830663193 BHEKLBBLSKAMCH-FQEVSTJZSA-N 486.962 5.323 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c(Cl)c1 1830750306 QYGLOBZPJWYHJH-SANMLTNESA-N 476.020 5.636 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3nc4ccccc4o3)CC2)c1 1830851735 DSSDLSZCOUJBFQ-YADARESESA-N 470.573 5.002 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c12 1830943156 SFCCCNDAKVHOLX-FNZWTVRRSA-N 498.627 5.351 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633829 FKJWDCDYJMNKAT-CYFREDJKSA-N 479.024 5.218 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 1832634891 QIAPYDNKBIZQGO-RXFWQSSRSA-N 478.036 5.443 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(Br)c3)CC2)CCC1 1832721215 BRSKFOOONZKMTE-FQEVSTJZSA-N 492.845 5.030 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1836133331 MBONJPZZUKJLNZ-UHFFFAOYSA-N 484.040 5.040 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CC1 1836698216 YVOHBXMSPZSVNI-UHFFFAOYSA-N 497.438 5.513 30 20 JKED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)ccc1F 1845202089 HLKQOCVHCSTTJC-UHFFFAOYSA-N 494.010 5.071 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)CCCCCC(C)(C)C)C2)cc1C#N 1846087616 SNJFKKOJIMJWKS-UHFFFAOYSA-N 453.627 5.159 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)c1 1846828428 IKMGAXMBMVUEPY-IBGZPJMESA-N 494.620 5.654 30 20 JKED C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(Cl)cc1Cl 8882907 XQPMTZDHQNNAKV-UHFFFAOYSA-N 494.360 5.086 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 10405596 RKRDBASRVGFOOQ-SFHVURJKSA-N 458.587 5.262 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nc2ccccc2c1=O 10769168 FYCRIBRGIDEIOB-CYBMUJFWSA-N 458.465 5.505 30 20 JKED O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1 10994889 AQNQYQKZUYCGBT-FOWTUZBSSA-N 497.617 5.457 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(F)cc2F)cc1 11250091 MUELREXRKGCDMD-UHFFFAOYSA-O 473.634 6.885 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc3c(c2)CCCC3)c1 14872128 PVKZRPFTOZPLEF-UHFFFAOYSA-O 460.579 5.374 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1OC 16863529 UHGNWLZBUHKKRO-CYBMUJFWSA-N 496.942 5.931 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc1 20056091 KQEBOYPLUHHEJP-UHFFFAOYSA-N 473.989 5.444 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1C1CC1 21088197 NMECJNFRSOJTBS-UHFFFAOYSA-N 450.408 5.110 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2OC)nc2scc(-c3cccs3)c2c1=O 21382488 VOJYUPJBZIFHSM-OAHLLOKOSA-N 497.667 5.351 30 20 JKED Cc1cc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 22730839 DSMCLHYDCGKWKR-UHFFFAOYSA-O 471.671 5.972 30 20 JKED C[C@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2 23197069 GVEYEZQJQLVCBM-QCUKBLKESA-N 466.559 5.420 30 20 JKED CCOCCCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nc2ccc(Br)cc2c1=O 24841382 LOWKZYDVWGSCJN-LJQANCHMSA-N 486.435 5.121 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccccc3F)n2C2CC2)sc2c1CCCC2 45699243 FFWNIXPLPWJKJE-UHFFFAOYSA-N 467.595 5.352 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 110619134 BCFULJSTCLXSAQ-MZBJOSPHSA-N 480.568 5.466 30 20 JKED C=C(Cl)CSC1=N/C(=C/c2sccc2C)C(=O)N1c1c(C)n(C)n(-c2ccccc2)c1=O 206786402 SMPSFMFCSDNKLP-LDADJPATSA-N 485.034 5.084 30 20 JKED CCOC(=O)C1C/C(=C\c2ccc(SC)c(OC)c2)C(=O)/C(=C/c2ccc(SC)c(OC)c2)C1 207762549 QHHKWIAQJQYZKU-AYKLPDECSA-N 498.666 6.157 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1c(C)nn(Cc2ccccc2)c1C 409476297 SDMJDEKZFNUVKF-UHFFFAOYSA-N 485.401 5.348 30 20 JKED Cc1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1c(Cl)cccc1Cl 481878389 DQBYXRRYVPQRSS-NSHDSACASA-N 462.749 5.636 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1Cl 487060079 JZSHUGZVLABVQD-HXUWFJFHSA-N 498.435 6.201 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 497930769 VKQWHAKAKVUAKB-INIZCTEOSA-N 492.571 5.415 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)cc1 498368386 XTFPTJHNAGZMGO-UHFFFAOYSA-N 471.003 5.821 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 500999757 OELAMVXEOQIRNV-UHFFFAOYSA-N 481.895 5.452 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 501146803 GPUVKYYTLNUOIF-UHFFFAOYSA-N 473.592 5.262 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)c2)cc1 501434365 ISWOKFMHBOVMLF-QHCPKHFHSA-N 459.571 5.027 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc(Br)c1OC 502613683 IBGHTPOYXCBCLF-UHFFFAOYSA-N 482.334 5.452 30 20 JKED CC(C)c1nc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)nn1-c1c(Cl)cccc1Cl 504376529 MKZFZIBROIKGDQ-UHFFFAOYSA-N 456.377 5.620 30 20 JKED O=C(Nc1cccc(NC(=O)c2cc(F)c(F)c(F)c2F)c1)c1cccc(C(F)(F)F)c1 504796138 KDWQBUIZIITLBN-UHFFFAOYSA-N 456.317 5.766 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc1 508285118 ZNYHLCNWXIWSIC-HNNXBMFYSA-N 453.445 5.843 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 509603229 KVTIBALJTVFPID-UHFFFAOYSA-N 482.631 5.197 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 510007616 ZBUJLVDZGIDBMC-VWLOTQADSA-N 487.003 5.684 30 20 JKED CN(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511420076 BWIKKMBJYSIIOC-UHFFFAOYSA-N 464.363 5.758 30 20 JKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cc2c(cc1Br)OCCO2 513569123 WUFIMTIHLRMQRA-QGZVFWFLSA-N 479.374 5.522 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 514651075 XSFQARIFRRQRPX-UHFFFAOYSA-N 467.447 5.640 30 20 JKED COc1cccc(/C=C(/CC(=O)Nc2cccc(OCCCC#N)c2)c2nc3ccccc3s2)c1 515613830 WMMNORGLBFDXQX-PGMHBOJBSA-N 483.593 6.557 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)CC2)cc1 516695532 KVHJZCIPPKMFHT-DEOSSOPVSA-N 465.022 5.280 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cccnc2SCc2ccc(Br)cc2)cc1 517469723 LJKDYKITUDQRER-UHFFFAOYSA-N 482.403 5.305 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCc1ccccc1Cl 518516625 PFQRKUHCYAEZGU-OAQYLSRUSA-N 499.979 6.413 30 20 JKED C[C@H](C#N)CN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 561493935 MOYJYMIXQYRFIC-OAHLLOKOSA-N 474.417 5.010 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3cccs3)n2-c2ccccc2)sc2c1CCC2 589938973 IPXVCHAYMBTBPF-UHFFFAOYSA-N 477.640 5.539 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nnc2-c2ccccn2)c(C)c1 603918495 ZHIXJFKYJHTTHP-UHFFFAOYSA-N 486.626 5.293 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1 603928316 NQXYYGNVLRMIDZ-UHFFFAOYSA-N 472.438 5.807 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1 603946520 DSEPLVUZLFQJEU-UHFFFAOYSA-N 455.008 5.919 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 604101996 FQWDEJPOIRJJOC-UHFFFAOYSA-N 496.527 5.755 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Oc5ccc(C#N)cc5)nc4)nc(O)c23)C1 604241577 AFEIQODXTWDCHO-OAHLLOKOSA-N 485.569 5.152 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(Br)ccc1Cl 608945577 IADNRQHIVGKMCG-UHFFFAOYSA-N 488.563 5.153 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)cc2)c1 609064135 JFZURCBAEKGIBZ-UHFFFAOYSA-N 485.547 5.696 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 609078597 BQIIPINFVCYGHF-OAQYLSRUSA-N 454.574 5.014 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2ccccc2n1CC#N 609167685 QBYGMAVRUAYNIG-UHFFFAOYSA-N 476.458 5.997 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(-c2cccnc2)no1 609207297 OPVKMLDFNFSKLB-DEOSSOPVSA-N 482.544 5.295 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 609405054 WXXVFXZPVLOOOB-WOJBJXKFSA-N 457.599 5.214 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3nc(-c4ccccc4)oc3-c3ccccc3)CC2)cc1 609429183 XGQKHJSKCQHOAN-UHFFFAOYSA-N 462.553 5.228 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 609437075 OMEHTPKURFPDJA-XXBNENTESA-N 476.671 6.063 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)n2)cc1 613319094 NHCHHKKEMNYCHO-WIOPSUGQSA-N 479.561 5.551 30 20 JKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1nc2ccccc2n1C(F)F 613403149 DHXOXWRQTFIGQT-KRWDZBQOSA-N 473.508 5.895 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 618176366 UDGPWSPMYZQMFG-UHFFFAOYSA-N 472.516 5.051 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 726391885 CQIKCYRQBXGVIP-FOIQADDNSA-N 494.444 5.056 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccs1)c1cccs1 726419571 IXGJJADMVBYAPY-LFBRLHLCSA-N 473.620 5.539 30 20 JKED C#Cc1cccc(NC(=S)NC[C@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)c1 726446979 NRLOFLGLYIBPCR-HSZRJFAPSA-N 469.610 5.675 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)Nc1ccc(OC)c(F)c1 726574501 CLDXMCNHANYVCO-UHFFFAOYSA-O 468.574 5.002 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 726755652 FVZZLRYNKORTJK-UHFFFAOYSA-N 475.527 5.356 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CC2)cc1Cl 726888703 BGMBDCUISHNSEK-LJQANCHMSA-N 494.400 5.133 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)cc1 726940176 MGMMCOBNCVJBKT-UHFFFAOYSA-N 463.379 5.383 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O)Nc1cccc(Cl)c1Cl 730460573 BLHBJKPAZJKYMA-QGZVFWFLSA-N 466.365 5.645 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1 730691567 KGIVUHIXSGONJP-YWZLYKJASA-N 458.898 5.109 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1F 730720411 KAERUIBFKPUKLJ-NZQKXSOJSA-N 495.555 5.112 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1cccnc1 730942516 QVHAWKHRBHGJMJ-AVRDEDQJSA-N 476.577 5.559 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 730943874 LUVSWKFPXGIZSR-YCRPNKLZSA-N 482.968 5.596 30 20 JKED N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 731287453 CCWWNEQPSAWRTO-INIZCTEOSA-N 484.177 5.653 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1c(C)cc(C)cc1Cl 731310039 ZJYJVWZWHTVTNM-UZLBHIALSA-N 490.025 5.048 30 20 JKED Cc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1NC(=O)c1ccccc1F 731345132 AVKOJSBVFXZOPJ-UHFFFAOYSA-N 465.484 6.303 30 20 JKED Sc1nnc([C@@H]2COc3ccccc3O2)n1N=Cc1cccc(OCc2ccccc2Cl)c1 744738646 CQDOXMYXBQTPMZ-QFIPXVFZSA-N 478.961 5.194 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 745374911 FOSNVKXCDAPJHL-UHFFFAOYSA-N 464.572 5.053 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1 746697174 ANSKYVQULGYAJJ-QHCPKHFHSA-N 472.545 5.468 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cc3ccccc3[nH]2)C1=O)NC1CC1 746697354 CERVSQIDFNQSGQ-HXUWFJFHSA-N 487.412 5.275 30 20 JKED COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)cc1 747434769 QVSSHGRPBGVAAG-CTBJKRMSSA-N 463.541 5.339 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c(C)c1 747599487 JVCZGWXMESHXJD-JOCHJYFZSA-N 492.670 5.580 30 20 JKED Cc1cc(C)c2cc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)sc2n1 761912103 IPOQHZCUMUTDIE-UHFFFAOYSA-N 490.560 5.186 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1Cl 799221768 ZPHWDQQLCMIJJK-IBGZPJMESA-N 460.386 5.204 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837300173 RWXKFZQGHDBCPX-CYFREDJKSA-N 488.613 5.429 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@H](C)c3cccnc3)C2=O)cc1 837301449 KTDHYMTXCRMGPM-VGOFRKELSA-N 462.550 5.251 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1C 837401774 KSZAHBRSTJXBEO-AUSIDOKSSA-N 458.587 5.420 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837637758 HRJVQPXVSMVAIE-MBSDFSHPSA-N 476.577 5.559 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c1 837748827 QEEZBTNEROSYFW-HXUWFJFHSA-N 469.563 5.056 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@H](C)c1ccccn1 838496193 ORSMUVOGGXKFIW-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839388069 JHTBRLKMTQRMRV-AREMUKBSSA-N 450.542 5.354 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2ccccc2Cl)s1 874103242 BXGBVTNEIRYOCW-UHFFFAOYSA-N 471.007 5.809 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(-c3cc(C)ccn3)no2)c1 904939460 HMKXKXTUHQLTON-UHFFFAOYSA-N 466.950 5.142 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cs1 912823187 OOCFMQJJUKCUOY-UHFFFAOYSA-N 480.422 5.447 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915199609 HNOGRCVESHQNFD-HHHXNRCGSA-N 484.559 6.456 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915353233 MJGZUWAXXYVCLK-GOTSBHOMSA-N 492.373 5.530 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 916152217 RERASAYCEYCBAA-SGAXSIHGSA-N 494.906 5.304 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=Nn2cnc3sc(C)c(C)c3c2=O)cs1 916310649 BOXVTNGRERYXSO-UHFFFAOYSA-N 491.520 5.117 30 20 JKED O=c1c2cnn(-c3ccccc3)c2ncn1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 916318837 MFKKBLJTWJWVSZ-UHFFFAOYSA-N 450.285 5.031 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 916899551 JIZWWRAOGHLINV-RZFNWQHOSA-N 459.590 5.025 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(SC(F)(F)F)cc1 916904721 IEFYGAXIQOZFHE-SFHVURJKSA-N 456.445 6.052 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1Cl 916905820 NJMSQVCRXTUDGN-QGZVFWFLSA-N 469.324 5.542 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc(-c2ccccc2)cs1 916913277 VZVLTKGXMBIRNN-RUZDIDTESA-N 466.562 6.097 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916919745 ZMEBTJZJWHUTPN-LJQANCHMSA-N 479.483 6.252 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)cc1OC 916927759 CTLXRYVGNMIFLV-CQSZACIVSA-N 490.368 5.404 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccc(Cl)cc1Cl 916928159 IFIPDXISZWHOEO-AWEZNQCLSA-N 464.255 5.207 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c12 916937323 CNYZNYOCZYRMLK-MRXNPFEDSA-N 469.948 5.372 30 20 JKED COc1ccc(C)cc1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916977787 YVXPDPVYRYPZPL-SJLPKXTDSA-N 465.962 5.010 30 20 JKED COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 916997069 PTWKCQGMOIJFEE-SEJWUHKESA-N 459.354 6.024 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1nc2cc(Cl)ccc2s1 917044551 UAKZWNSTJZVXQI-CQSZACIVSA-N 499.345 6.110 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc3c(ccc4ccccc43)o2)cs1 917559533 LHVMYRMLQSGRIX-RAXLEYEMSA-N 452.535 6.932 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 917803078 FLBIIUBAZKYHIR-HHHXNRCGSA-N 451.526 5.234 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)cc2Cl)cc1 917875765 AVYBQRIAWZWWIV-UHFFFAOYSA-N 480.311 5.905 30 20 JKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1Cl 919088527 LMCAEAMGKVAYGH-ZDUSSCGKSA-N 460.317 5.634 30 20 JKED C[C@H](c1ccc2ccccc2c1)N(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 919880896 YMBGKLQZWACQFG-HXUWFJFHSA-N 489.641 5.191 30 20 JKED COc1cc(OC)cc(C(=O)c2c(NC(=O)c3ccccc3OCC#N)sc3c2CCCC3)c1 919986486 OWRKKLGGETVVKA-UHFFFAOYSA-N 476.554 5.030 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1 920326949 MMQVLEQUNFTTIU-LJQANCHMSA-N 461.518 5.416 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c(C)c1 920353766 RMLWBTJHIFMVSW-NRFANRHFSA-N 482.993 5.414 30 20 JKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806788 PTDMHSSNRORFRQ-WDEREUQCSA-N 453.297 6.039 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N/C[C@@H](O)c1ccccc1C(F)(F)F 920990768 BRWLYCKODOLDOU-PXTMYOSYSA-N 467.079 5.089 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1 926103701 VXBZWITYQYERQA-INIZCTEOSA-N 453.951 5.264 30 20 JKED CCSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1 1785780352 UHJAANQMGUYDQX-UHFFFAOYSA-N 496.596 5.003 30 20 JKED COc1ccc(F)cc1CC(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786041585 MHIBQTPMLKMSIR-UHFFFAOYSA-N 485.559 5.015 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1786287986 LJKLPTOELKDTFB-VEMGOHLESA-N 461.587 5.013 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CNc4ccccc4C)CCC3)cc2)c(O)n1 1787173393 PUZMBQBULGOUTF-UHFFFAOYSA-N 484.600 5.074 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789151247 IPFJGMZQXLLUKW-DNQXCXABSA-N 467.009 5.560 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCCC4(F)F)cc3)CCC2)cc1 1789163896 SIWNEBOLSMXMPK-RUZDIDTESA-N 469.507 5.152 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cn5ccsc5n4)cc3)CCC2)cc1C#N 1789335251 ATVMYYGTKFFRIA-UHFFFAOYSA-N 499.596 5.116 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Br)cccc4n3)cc2)CCC1 1789367365 HQJJZBOPFNXTKN-CQSZACIVSA-N 484.419 5.063 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789934477 BDPITQORUSDOJI-HXUWFJFHSA-N 470.573 5.297 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(OC)ccc4Cl)CCC3)cc2)c1 1790076405 LFQPQJMOZFMFNW-UHFFFAOYSA-N 489.959 5.290 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4CC[C@@H]3N(C(=O)OC(C)(C)C)C4)cc2)CCC1 1790419107 VFRPMWZQIBKALD-KZTDQWPFSA-N 495.664 5.368 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C)c3)CCC2)cc1 1790565778 CVEXPLIGUDPNMF-QGZVFWFLSA-N 486.410 5.306 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ncsc45)CCC3)cc2)c1 1790763643 ACPXORUYJOQIKT-UHFFFAOYSA-N 470.529 5.369 30 20 JKED C[C@]1(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)CC1(F)F 1790787438 LTQWLBALMVBOJF-OAQYLSRUSA-N 477.433 5.370 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccc(Br)cc4c3C)CCC2)cc1 1791589258 PYUHCXDBYGJUSG-UHFFFAOYSA-N 466.379 5.563 30 20 JKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)o1 1791948359 YUHXEXNXRATSOW-UHFFFAOYSA-N 492.373 5.213 30 20 JKED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C2)c1ccc(Cl)cc1 1792819394 ZSYFGVITYXPQSV-TWHAJKEOSA-N 459.106 5.133 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 1796970930 FOOXJLDTMRWACO-FNLKRUPLSA-N 488.554 5.135 30 20 JKED Cc1c(Br)ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)c1F 1797273442 ZGXKSMBBEVZURG-GAZPGATBSA-N 498.396 5.089 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Br)cc2)CCCC1 1797848101 VLBAMDJSZLSSJZ-MVWVFHAYSA-N 473.455 5.111 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c(Cl)cc1C)C2 1798334179 OLAWZLDPPPZPGE-XMTFNYHQSA-N 479.846 5.431 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2)c1ccccc1 1798555553 XZVONDVRCRAMJF-KIHHCIJBSA-N 460.618 5.335 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cncc2Cl)[C@H]1c1cccnc1 1802362067 RMSNPMMSZJQEJU-LAUBAEHRSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802828928 DYUUEIAPOJDDNB-BPUDTRNYSA-N 468.041 5.537 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1803077828 NAJOBJXFPKDRPB-FPOVZHCZSA-N 475.511 5.090 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)s1 1804470234 QZEKQYHQPXXTEN-WMEMMNBJSA-N 486.641 5.031 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccnc4-c4ccccc4)CC3)C2)cc1 1804759300 WPNUATGJQPLULX-UHFFFAOYSA-N 492.623 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)CC2)C1 1804859600 CYESVAGRJFCSSS-ZEQRLZLVSA-N 452.639 5.022 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C(C)C)nn3ccccc23)[C@@H]1c1cccnc1 1807915544 QGULJKXJVUPRAN-GJZUVCINSA-N 487.648 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3cc(C)[nH]c23)[C@@H]1c1cccnc1 1809270026 GCZIDZRTPKDTAX-RDGATRHJSA-N 458.606 5.183 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1811207346 RIBCWPRMYBJHCA-URXFXBBRSA-N 451.998 5.131 30 20 JKED CC#C[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1)c1ccc(O)cc1 1813124100 UMJYPBWMDAJSAA-GEHYGMCHSA-N 489.660 5.207 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(NC(C)=O)ccc2Cl)[C@@H]1c1cccnc1 1813997377 UVPYFDPYRQQCPA-YKSBVNFPSA-N 497.039 5.005 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)Sc2ccccc2)[nH]n1 1814823713 FDCABVTVCORSFJ-AVRDEDQJSA-N 452.624 5.351 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCc3ccccc3F)n[nH]2)cc1 1814850973 IWSRPTNMMILVME-RUZDIDTESA-N 487.579 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2ccccc2F)n[nH]1 1814851957 MRSGCGCQAIIWQS-NFBKMPQASA-N 452.574 5.332 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1)c1ccccc1 1814931367 IUOBQOZDCSENBA-RSXGOPAZSA-N 469.589 5.221 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCC(F)(F)CC3)n[nH]2)c(Cl)c1 1815021871 VQVBMGDBGSKBOC-LJQANCHMSA-N 475.927 5.066 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(F)ccc2Br)n[nH]1 1815071733 KWLUPLDLVGUSGE-YWZLYKJASA-N 491.405 5.148 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1815216270 RDHWUIRLWZTXGO-NLFFAJNJSA-N 497.599 5.226 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1815245906 WJFNRALNIDITJG-CVDCTZTESA-N 493.658 5.433 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3ccc4ccccc4c3)n[nH]2)C1 1817772135 CBGGUXUQIWEMER-SANMLTNESA-N 491.595 5.897 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)c3ccccc3c2)n[nH]1 1817963860 BEONLLDLJWSHEY-HXUWFJFHSA-N 467.367 5.207 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)oc2ccccc12 1818570998 ANCAHWSKCMNVHC-UZUQRXQVSA-N 481.556 5.711 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)[nH]n1 1819385631 YNEVVGMPPHRNOI-WMZHIEFXSA-N 496.650 5.371 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)oc2C)[nH]n1)c1ccccc1 1819517975 CPLIVMCLEPOLNG-XUZZJYLKSA-N 458.562 5.123 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)n[nH]1 1819920634 PNJYQDHAIAFFHN-YJBOKZPZSA-N 495.933 5.551 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217959 LNBHGLZTOQOUDG-IIBYNOLFSA-N 494.020 5.421 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)[nH]n2)c1Cl 1820218173 NYYXXMCWOMVQIT-SJLPKXTDSA-N 475.927 5.066 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cccc2Cl)n[nH]1)c1cccs1 1820430632 UEOBSRKLEWSXKK-FVNWOWOISA-N 486.956 5.009 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)[nH]n2)c1 1820486766 DQIFEJQRBSXTKC-FQEVSTJZSA-N 486.334 5.347 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cccc1C(F)(F)F 1820486928 GTAUCWRGTUFZIW-OAQYLSRUSA-N 481.478 5.228 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820547587 TVOKXBQRQUIXQR-VWLOTQADSA-N 490.567 5.272 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4)n[nH]3)cc2n1 1820549695 NYRBOIYVGHZVDV-DEOSSOPVSA-N 498.974 5.411 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2Cl)n[nH]1)c1cccs1 1821124112 LLTUPACDZXBYAX-BLGFXRMMSA-N 486.956 5.009 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)[nH]n2)cc1 1821182273 YCESJXVNLFTOHJ-XMMPIXPASA-N 498.974 5.297 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)Oc1ccccc1 1821280504 VXVDKOLESXVRTQ-SBUREZEXSA-N 491.979 5.098 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3c(Cl)cccc23)n[nH]1 1821392850 KCEZIGDLGNSOKU-IBGZPJMESA-N 466.973 5.014 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821528054 QSDPLNKHHOTWTH-QGZVFWFLSA-N 458.534 5.450 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)[nH]n1 1821921789 UUMZOYSAFLFQMT-LIRRHRJNSA-N 484.398 5.172 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)[nH]n1)c1ccc(O)cc1 1822468219 KUAJGGPKNQPHAS-KWXKUIHTSA-N 488.613 5.080 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)s1 1823210870 JMDNKSOBCVXPBJ-SBUREZEXSA-N 475.618 5.345 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@]3(C)CC=CCC3)[nH]n2)cc1C#N 1823294355 MLWSZRYZLSYKTN-AJTFRIOCSA-N 475.593 5.121 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1823980367 SPKXBXYGWZEKRG-CCLHPLFOSA-N 493.598 5.458 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1824054481 VWDKFYCDZGMOAD-VWLOTQADSA-N 497.561 5.443 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4cccc(O)c4cc3OC)sc2C1 1824163774 ROGFDSQPBSVEPB-ROUUACIJSA-N 491.613 5.005 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824449879 OUJJETGLHUJMCN-HYBUGGRVSA-N 494.598 5.239 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824534810 ZYFXBYCLMGYPRS-QOWNCMNNSA-N 482.612 5.293 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)CC1 1827721049 ZVLHMKFWPVPDAO-DEOSSOPVSA-N 478.662 5.207 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)c21 1828274921 QYRRCLFBHGFRLW-RUZDIDTESA-N 489.019 5.250 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 1828903594 JKSPIVBRGCVJOR-DHIUTWEWSA-N 480.716 5.483 30 20 JKED CCc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc(C)n1 1828905724 XJMHFILBQDPADV-SANMLTNESA-N 481.757 5.237 30 20 JKED O=C(c1cccc2c1oc1ccccc12)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828998437 DXFAPHFYCWFURF-QIVTUHOFSA-N 497.595 5.531 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1829664878 QNDSUFYKUGYUGZ-RSXGOPAZSA-N 481.656 5.428 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4F)CC3)CC2)c(Cl)c1 1830723725 NOYGAPVYYNPZJB-VWLOTQADSA-N 494.010 5.316 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)Sc3ccccc3)CC2)c1 1830764926 AFVWWVOBPIDBOW-QFQXNSOFSA-N 475.658 5.281 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1831372703 HQEGRBWPSCALIC-VGOFRKELSA-N 486.454 5.376 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1831464290 BCTQLDIDZAGXHY-CJFMBICVSA-N 455.618 5.076 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccsc3)CC2)c1 1832629733 BUHPCQLACFIEBR-CPJSRVTESA-N 463.647 5.241 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)c1 1832634306 UPFWEEKKXJHBKK-WZONZLPQSA-N 498.549 5.275 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711938 SHPHUIBBKYTWPC-GOSISDBHSA-N 482.440 5.420 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC34CN(C(=O)c3ccc(C#Cc5ccccc5)cc3)C4)ccc2n1 1843752426 QPLRTFLCYIRBHH-UHFFFAOYSA-N 485.587 5.074 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)cc1Cl)C2 1845046802 DMAPZWSWHJRLRZ-UHFFFAOYSA-N 487.987 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)c1 1846828429 IKMGAXMBMVUEPY-LJQANCHMSA-N 494.620 5.654 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10169046 IYJGBDFYCQCICB-UHFFFAOYSA-O 479.669 6.795 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cc(C4CC4)nc(SC)c3C#N)cs2)cc1 10711898 SQOWWOHXICTBPU-UHFFFAOYSA-N 492.626 5.613 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)Nc1ccc(C#N)c(Cl)c1 16788218 QDVLCNVCAWMFQQ-CQSZACIVSA-N 498.395 5.884 30 20 JKED C=CCn1c(SCc2c(C(=O)OCC)sc3cccc(F)c23)nnc1-c1ccncc1 17655104 DBVGDXRDQVQCOO-UHFFFAOYSA-N 454.552 5.349 30 20 JKED C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nc2cc(Cl)ccc2c1=O 21282047 WYYUWWXCJHJWFM-UHFFFAOYSA-N 491.960 5.542 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1cccc(C)c1 21991332 UOQIEDXASALYNZ-UHFFFAOYSA-N 454.599 5.761 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 22730289 LJMBTNJIFLOHFA-UHFFFAOYSA-O 463.476 5.467 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc(N(C)C)cc2)s1 22731747 XBZCXKWAYRYWMD-UHFFFAOYSA-O 480.557 5.360 30 20 JKED C=CCN(Cc1ccccc1)C(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 24498090 IBTYJFPEOJRABO-UHFFFAOYSA-N 461.612 5.100 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1-c1ccccc1 26979777 SQYLFUCHFUUKNZ-SFHVURJKSA-N 480.684 5.677 30 20 JKED C=CCn1c(SCc2nnc(C(=O)NCc3ccc(C)cc3)s2)nnc1-c1ccc(Cl)cc1 27594196 MZYOLQKHBGMDAK-UHFFFAOYSA-N 497.049 5.167 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 195687774 LQOWVVOOXFAKPR-QFIPXVFZSA-N 494.016 5.347 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 302642403 SBLXEEJDAUGXMI-CQSZACIVSA-N 498.952 5.508 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 303332982 WVRDTJXHNJZZJI-IBGZPJMESA-N 470.573 6.111 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1F 409796677 SMRMLUQFGYODPN-UHFFFAOYSA-N 469.520 5.287 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CCNC(=O)Nc3ccc(Br)cc3)c2)c1 480006648 HTNIZXDHSCXRJV-UHFFFAOYSA-N 493.361 5.050 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCCc3nc(O)c4ccccc4n3)s2)c(C(F)(F)F)c1 487288490 ICYQQKICGDNJKE-UHFFFAOYSA-N 497.502 5.235 30 20 JKED CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 497523058 CWINSTRDRSSLRG-VWLOTQADSA-N 496.592 5.389 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccnc(OCc4ccccc4)c3)c2)cc1 499925858 FBSPIRMZLYFFGS-UHFFFAOYSA-N 478.552 5.627 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 500077552 YWKDVLWEQKGLBJ-UHFFFAOYSA-N 453.329 5.197 30 20 JKED Cc1ccc(-n2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(-c3ccccc3)n2)cc1 501746994 BQSPSEHTMHZRTP-UHFFFAOYSA-N 489.579 5.210 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 508147466 LLNOAYLISPVFAV-UHFFFAOYSA-N 484.581 5.435 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 510859099 ZNRLJFCTZBDBHP-LJQANCHMSA-N 489.963 5.590 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 514297971 OBSTXILEIDDIAF-CQSZACIVSA-N 459.612 5.011 30 20 JKED N#Cc1c(NC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)sc2c1-c1ccccc1CC2 515625940 IJYQZTCXKPCJSR-FNZWTVRRSA-N 489.597 5.054 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)c1 515881675 DYESDTLBHJHZMQ-RUZDIDTESA-N 473.598 5.154 30 20 JKED COc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 516010424 HTMQDNXMGSMSBT-UZUQRXQVSA-N 461.949 5.162 30 20 JKED C=CCN(C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)c1nc2c(s1)CCCC2 517303021 HBATUSAURUHDLP-UHFFFAOYSA-N 464.616 6.045 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 517800714 DIYXSZVBBCKLDW-QGZVFWFLSA-N 496.386 5.732 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)n2)cc1 517800976 UBKOLQRRMLZAOS-HSZRJFAPSA-N 492.560 6.334 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(OCc2cccnc2)cc1 517849905 METKBCZMPGAMDZ-FQEVSTJZSA-N 492.535 5.140 30 20 JKED CC(C)(C)c1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1 517868833 GSHDZHJRWZMHAL-UHFFFAOYSA-N 450.511 5.631 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(Cl)cc1 518675084 ZMILOUGFJBXDJJ-LJQANCHMSA-N 483.943 5.817 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1 520074862 VLSYZCFTBPDQBJ-UHFFFAOYSA-N 490.357 5.243 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Cl 521302212 OMIBSOLTGPMWSW-UHFFFAOYSA-N 492.023 5.905 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 521715479 VNEMJAXFXRJTGT-UHFFFAOYSA-N 478.474 6.049 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nc(O)c2c(C)c(C)sc2n1 524407807 JZYJGVIDHRJJAP-UHFFFAOYSA-N 472.570 5.344 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1 557339567 GMKGNZCYWXJRCA-UHFFFAOYSA-N 483.484 5.425 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2nc3ccccc3n2C(F)F)cc1OC 589842313 LSSNALKPYINZEP-CYBMUJFWSA-N 466.326 5.618 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 590388839 XVILJLFIAIYLOF-FQEVSTJZSA-N 459.914 5.997 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(F)cc1Br 603738939 KMZNSWDLBLKVID-AWEZNQCLSA-N 470.298 5.362 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccc3oc4ccccc4c3c2)nn(-c2ccc(F)cc2)c1N 603826615 FNOPGLTUBOJICK-UHFFFAOYSA-N 468.492 5.119 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 603982240 BHZJHXZQDPMPBI-UHFFFAOYSA-N 483.996 5.423 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCC(=Cc4cccc(F)c4)CC3)c2)cc1 604152891 JEFRAWDBOZSLHX-UHFFFAOYSA-N 483.543 5.115 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1Cl 608994346 KPGHZSVQQDRWPZ-ISKFKSNPSA-N 473.960 6.136 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(CC(=O)N4CCCC4)CC3)cc2Cl)c1 609080612 PTYZIVWBMHILFG-UHFFFAOYSA-N 480.996 5.047 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1OCc1ccncc1 609082172 CEHHTJVETSEYPC-HNNXBMFYSA-N 468.460 5.025 30 20 JKED N#C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OCc2ccccc2)cc1 609171958 JQXWGNZRHLWDSI-HSZRJFAPSA-N 472.932 5.283 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)c1 609437442 WVJLNBLMRBZUBK-QLPKVWCKSA-N 499.411 5.315 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5cc(Cl)ccc5s4)cc3)o2)c1 613404178 ZZISLOQPRGUOFJ-LJQANCHMSA-N 470.941 6.465 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1ccc(OC)cc1 618070499 LDGWUJZKAWQHIY-QZTJIDSGSA-N 450.608 5.060 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](c2ccccc2)C(C)C)cn1 726116272 CDSCMXNHPIEPOM-LADGPHEKSA-N 475.618 5.261 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)S/C1=N\[C@H](C)c1cccs1 726421346 MNPCXSRVMJZOMS-BWXASHAWSA-N 457.621 5.113 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)OCCO3)cc1 726571903 NZMHDUIIQOLBDN-UHFFFAOYSA-O 478.981 5.156 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@@H](C)c2cccs2)[n+]2ccc3c(c2)CCCC3)C=C1 726576368 CZSLWGTWBLOAST-KRWDZBQOSA-O 478.663 5.247 30 20 JKED CCOc1ccc(OCC)c(N=C2NN=C(c3ccc(NC(=O)C(C)(C)C)cc3)CS2)c1 727463588 JBSZDKOOWUBNBI-UHFFFAOYSA-N 454.596 5.197 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)cc(OC)c1OC 727646825 GIOINLDZMFVSOM-QHCPKHFHSA-N 461.562 5.238 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1 727655523 XUQBCKRTHYYLMF-SDNWHVSQSA-N 473.623 6.773 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728052359 AUHRGNZBCJMYOT-UHFFFAOYSA-N 462.962 5.457 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)o2)cc1 728148122 UKLNBHLLZHRSEE-IBGZPJMESA-N 467.453 5.006 30 20 JKED COc1ccc(Cl)cc1-n1c(-c2cccc(Cl)c2)nn(CN(C)[C@@H](C)CC#N)c1=S 728902566 SFUDRGRIXIFTPF-AWEZNQCLSA-N 462.406 5.577 30 20 JKED CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 729570337 XMCLFLBTOQPCIG-OAQYLSRUSA-N 482.556 5.140 30 20 JKED O=[N+]([O-])c1ccc(-n2cccc2C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1 730585209 SODICNZVVONYLO-UHFFFAOYSA-N 489.344 5.034 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cocn1 730709214 PUTVUNGYDFJVGL-HSZRJFAPSA-N 470.554 5.297 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)cc1C 730710681 POUDNWDGXFOBRL-XMMPIXPASA-N 484.581 5.605 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1 731064288 VMOBADBNHCQBCX-LJQANCHMSA-N 493.629 5.281 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1N(C)c1ccccc1 731072334 DWKLLUAHDODPGS-LJQANCHMSA-N 459.571 5.644 30 20 JKED Cc1ccc(-n2ncc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2C(C)C)cc1 731073919 KJPIIBILFXBWQB-IBGZPJMESA-N 476.602 5.494 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c1 731306048 JUKGEVBESTZIDJ-JPYJTQIMSA-N 477.586 5.194 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2F)c1 731309771 WEAANDZUJNFFCG-QFIPXVFZSA-N 481.524 5.139 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1 743524675 LVFDBWPVOFDZSS-FQEVSTJZSA-N 473.476 5.166 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(Cc2cc(Br)ccc2F)C(C)C)c1=S 746034162 YIKNDNXZLORPMJ-UHFFFAOYSA-N 476.419 5.432 30 20 JKED COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 746658221 DHBNLABKBVNAND-DFBJGRDBSA-N 481.518 6.602 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c(C)c1 747599909 LTLOSEKXARWBHM-OAQYLSRUSA-N 499.061 5.882 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc3c(c2)CCO3)C1=O)Nc1ccccc1F 750917006 QULDORQZVCEKCM-HSZRJFAPSA-N 493.535 5.060 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC(CCc3ccc(OCC)cc3)CC2)c1=S 813141244 WQTOZNMMXGIGJS-UHFFFAOYSA-N 463.651 5.363 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 837887853 OHXSAQFSYXUINW-BTYIYWSLSA-N 482.968 5.596 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 838073386 BXDCLKLZBFWVCI-IVZQSRNASA-N 496.539 5.090 30 20 JKED CC(C)c1ccccc1N=C1SCCCN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 864015124 FONWXBOOHZOWBE-UHFFFAOYSA-N 482.627 5.644 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(-c2nc(C3CCC3)no2)ccc1Cl 904867349 DPOBCVXYTDSBPW-UHFFFAOYSA-N 464.374 5.692 30 20 JKED CCc1ccc(-c2nn(-c3ccccc3C)cc2C=Nn2c(SC)nnc(C(C)(C)C)c2=O)cc1 912832153 SJTBOTUEYNYUHD-UHFFFAOYSA-N 486.645 5.263 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N([C@H](C)Cc2ccco2)C1=O 914694448 KEPWLRMKZOQJKZ-JPYJTQIMSA-N 477.586 5.188 30 20 JKED COc1ccc([C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC(C)=O)cc1 915103621 ZMQZOBWSXLDTIF-AZUAARDMSA-N 488.396 5.569 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(OCc2ccccc2C#N)cc1 915513558 ARSHQBDOWQZSSG-HXUWFJFHSA-N 456.542 5.753 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916910022 PIINDPAJZDHPIQ-INIZCTEOSA-N 459.811 5.507 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OCC 916917201 GAOULTVLDARYHZ-IBGZPJMESA-N 495.373 5.290 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1)c1ccccc1 916945782 DKJQGGIAMVETJN-JLTOFOAXSA-N 454.313 5.490 30 20 JKED CC(C)n1cnnc1SCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995701 FZKBVNOLCARLLH-ZDUSSCGKSA-N 452.392 5.258 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccccc2)cs1 917026526 GERXBVWNDNMUKJ-QGZVFWFLSA-N 468.365 6.581 30 20 JKED N#C[C@H](C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F 917041137 QDSHSMWUCYXLTB-QRRJMBGHSA-N 465.862 6.641 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 917042615 HIOVLQVUDLZWCV-HNNXBMFYSA-N 477.920 6.511 30 20 JKED C=C(C)CN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)SC1=S 917644172 VDTLMTVQBSLSRW-PXNMLYILSA-N 450.010 5.258 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O 917664900 VISUGGVOCAAQMW-HXUWFJFHSA-N 469.563 5.056 30 20 JKED Cc1cc(C)cc([C@H](OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(F)(F)F)c1 918561973 CCJBWABSOJKSSC-FQEVSTJZSA-N 473.451 5.486 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 919666190 IRYRXVPBFVGGID-LJQANCHMSA-N 455.366 6.247 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(Br)cc2)o1 920105913 NAUSGAGTLILVQG-IBGZPJMESA-N 477.314 5.616 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCO[C@@H](c3ccc(Br)cc3)C2)c1=S 920306301 REBKTEOHYRYGQB-HXUWFJFHSA-N 489.414 5.200 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)cc1 920355195 LUPIBUSOAIUQEA-QHCPKHFHSA-N 476.602 5.377 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CCCCCCCCc3ccccc3)CCO2)C1 1783198088 QBTFBOSGYOVCSQ-AREMUKBSSA-N 476.608 5.001 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)CCC2)cc1 1785935967 DZRXGDQVUONKTK-UHFFFAOYSA-N 480.568 5.236 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(=O)c5ccccc5o4)cc3)CCC2)c1 1786002593 FHYZFJNQWTWWMV-LJQANCHMSA-N 491.547 5.482 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1 1786548077 MKGWVDKMRZJBLP-JOCHJYFZSA-N 481.637 5.170 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCNc3ccc(C)cc3C)CCC2)cc1 1786678090 JFEYRYRIVRVNSJ-UHFFFAOYSA-N 451.636 5.159 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnoc4C4CC4)cc3)CCC2)c(Cl)c1 1787597971 JZSBULCMEHCLAZ-UHFFFAOYSA-N 460.921 5.139 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccoc3C(F)(F)F)cc2)CCC1 1788724826 MHOUFWZQOJWDOH-CMDGGOBGSA-N 488.487 5.547 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4[nH]c5ccoc5c4-c4ccccc4)CCC3)cc2)c1 1790147124 JPVUZVHZERESJY-UHFFFAOYSA-N 489.535 5.689 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1790563949 VYSHIGVFUIXDPX-IBGZPJMESA-N 486.012 5.434 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4ccncc4)CCC3)cc2)c(Cl)c1 1790764315 UQENGXYGYRSBBR-UHFFFAOYSA-N 472.976 5.377 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)c1 1790767088 SIDIEMCTVGGWRT-UHFFFAOYSA-N 480.499 5.414 30 20 JKED Cc1ccn2c(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5Cl)CCC4)cc3)cnc2c1 1790973159 OYKPPKUPTRQFDT-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cc(Br)ccc1F 1793556192 KTMHLPTUKDVCRI-ACDBMABISA-N 479.434 5.151 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cc(Br)ccc1OC)C2 1798594826 RJGJFFNFVCDULY-VFICEKILSA-N 489.454 5.102 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2CSc2ccccc2)C3)c1 1799602703 BWTKHVZMWAITAC-QEIWAGNOSA-N 481.621 5.416 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)[C@@H]1c1cccnc1 1802501337 XFPZUUHCNITZGQ-UKILVPOCSA-N 472.589 5.049 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1802746470 BFASRUMUEYKIMA-TXTKFYIRSA-N 487.522 5.068 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@H]1c1cccnc1 1803086875 PALNOCMNNXTPMG-DUZPHZCSSA-N 498.627 5.059 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803090061 FNBQYHSGDRHPPH-XXBNENTESA-N 489.513 5.328 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1803090136 GLNMDAYGNQCRSB-HYBUGGRVSA-N 462.619 5.021 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803092918 NDMAAECTTOCOQI-NZQKXSOJSA-N 489.513 5.328 30 20 JKED N#CCCC(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803223983 YUXUZFTVIAAHGP-KHIORFRISA-N 479.024 5.019 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@H]4C[C@H]4c4ccc(Cl)cc4)CC3)C2)cc1 1804759347 XDYDHZWTJCSGDS-UIOOFZCWSA-N 490.047 5.179 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)C1 1804866532 FLABOIOIRHSTGG-UHFFFAOYSA-N 486.454 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1806414024 LUMNSVXPINEZRW-YIKNKFAXSA-N 467.613 5.252 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808155244 DFRJHPOEHNHTLU-NLFFAJNJSA-N 493.051 5.837 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811530429 AVHWPOZJDKYRIW-YWEHKCAJSA-N 485.653 5.296 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811788979 QQVOKDZXZLKOMV-JTSKRJEESA-N 492.422 5.840 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1811929542 HLFWUCQNSFQNOB-MNHWUDFISA-N 494.639 5.411 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@@H]1c1cccnc1 1812596149 IRMIQWPWEPVCEO-WCAVRKLYSA-N 486.443 5.338 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1812676260 NVTBRTCIBYHNMW-YIXXDRMTSA-N 491.582 5.393 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@H]1c1cccnc1 1812787493 MVRIDTTYQQMUSB-WMMXXEOUSA-N 453.671 5.686 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[C@H](C(C)C)CC3)[C@@H]2c2cccnc2)c1 1812792879 HPDVATSRQOBCJZ-LADVCJOISA-N 472.633 5.044 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1813047025 MDBFUGIYGKKJMC-HFZDXXHNSA-N 475.976 5.118 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1813864753 CNCLKRVRVLBOOH-MQMJORGGSA-N 498.627 5.541 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)nc2ccccc12 1814739329 ZBVODEVHYOHUQG-AREMUKBSSA-N 492.583 5.077 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCCC2(F)F)n[nH]1 1815351533 XENUKMRFAIVOHK-ICSRJNTNSA-N 478.660 5.278 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1)c1ccc(O)cc1 1816695276 VXYCJOGERAAPJN-RDGATRHJSA-N 476.621 5.275 30 20 JKED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3cccc(Br)c3)cc2)[nH]n1 1816746785 LVNIKZYEBYTJNB-OAQYLSRUSA-N 492.377 5.059 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817744157 MFUYTFXDLPHEJC-WMZHIEFXSA-N 457.578 5.298 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)n[nH]1 1818159573 YCHIQXTWVTWQBL-JOCHJYFZSA-N 491.592 5.372 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818594174 HIYHMSDGMKFJMH-APWZRJJASA-N 460.600 5.024 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCCC[C@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818940864 AZFJMOVJVOFKIZ-HNNXBMFYSA-N 492.395 5.216 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](C#CC)c2ccc(O)cc2)[nH]n1 1819309670 FOODKBSNYXAUBW-UMXIMWEHSA-N 474.605 5.073 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)cc2Cl)[nH]n1 1819310047 ONYNENXMLYFAOS-LBGHRLISSA-N 468.985 5.243 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)C(=O)CC3)[nH]n1)c1ccccc1 1819520560 MBISSBWJRMVMFK-ZEQKJWHPSA-N 494.595 5.042 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)no2)n[nH]1 1819795512 HKVQNRYYXNCJGE-NRFANRHFSA-N 461.566 5.363 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)n[nH]1 1821238977 IXMVPSPYDAPARY-XMMPIXPASA-N 480.572 5.062 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]n1 1822380814 FDQCQJYONINARD-XDHUDOTRSA-N 485.613 5.249 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)[nH]n1 1822399282 VWUUFDZKQSHLPX-HXUWFJFHSA-N 467.367 5.207 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@]3(C)CC=CCC3)n[nH]2)cc1C#N 1822980691 JSXVYZUQSUCSQV-AMGIVPHBSA-N 475.593 5.121 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)c1Cl 1823181919 UDGTYFZJWDJODJ-DOJUMQAQSA-N 482.993 5.178 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[nH]n1 1823418913 UUXZUDVUMDMYIK-NRFANRHFSA-N 495.505 5.210 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 1823753723 YTIQQJJSXWUFFT-DEOSSOPVSA-N 463.622 5.567 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1824054189 QCTLTUADARZXCN-RUZDIDTESA-N 481.999 5.217 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cnc2OCC)CC1 1824143482 OYHYJPUUUDIMAM-HSZRJFAPSA-N 474.045 5.135 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)c1 1824235298 GQPDHQXRMZHERH-WOVHNISZSA-N 495.545 5.013 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c[nH]1 1825437832 YZAUUFIUYVAWBC-VWLOTQADSA-N 474.649 5.050 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccccc2)CC1 1826363791 PJCNTGMXEBQKTO-SANMLTNESA-N 482.741 5.126 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826476160 CBMMTDRMACTQEQ-VWNXMTODSA-N 476.583 5.636 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1826692220 HKRVSKAOZCHLGY-RUZDIDTESA-N 468.601 5.143 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827406264 OHMOMOQZZAERPB-QHCPKHFHSA-N 483.754 5.285 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)CC1 1827416265 JGEZYASEFSJCRL-QHCPKHFHSA-N 495.696 5.219 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1)C(F)(F)F 1827792816 IOKPWMGCWRIVLS-JOCHJYFZSA-N 471.523 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)CC1 1828232298 LYAAZEJBQCTPPP-BDYUSTAISA-N 459.634 5.545 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1828344291 OMBAWULIZVURHG-AJTFRIOCSA-N 489.685 5.648 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1828828901 ULGRHJHLBIWGGP-LADGPHEKSA-N 465.663 5.606 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC4CC4)c(F)c3)CC2)c1 1829957279 HIIJYAPIOXQXFK-SANMLTNESA-N 489.591 5.033 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)CC2)C1 1830535218 POJKLHRWHVITFB-FQEVSTJZSA-N 452.492 5.044 30 20 JKED Cc1cccc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1830639412 XLYJGPOLWBNTLP-LEQVUBRHSA-N 464.631 5.037 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c1 1830769222 KLRKDRXORPZAHA-VWLOTQADSA-N 455.558 5.160 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3O)CC2)c1Cl 1830954998 QGISDWZBCZHLGP-JOCHJYFZSA-N 491.975 5.211 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)c1 1831749530 XKSWKKUTMKBIIB-QHCPKHFHSA-N 499.442 5.158 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[C@@]23CN(Cc2ccccc2)C[C@@H]3C)CC1 1831854059 QKRSMVIALYJHNF-GGCIBVLUSA-N 491.720 5.121 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831969634 UOOCICSJRFDZGJ-ZXYASIKESA-N 485.466 5.276 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2c1 1832632732 UWRJQVOYWNOUDK-PIIWDFAUSA-N 498.627 5.351 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832634794 VZKWUUREJJIUEV-NEKDWFFYSA-N 471.645 5.488 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc(C)c1O 1832635420 DNBPHQKNOSFZGS-HFZDXXHNSA-N 473.617 5.183 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832700289 TYSQACUZEUOBHO-NRFANRHFSA-N 468.585 5.166 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3F)CC2)cc1C#N 1832702324 GSHXZTYSNQZUMS-JOCHJYFZSA-N 483.609 5.093 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)cc1C#N 1832703543 MZSPPNLMNMKKDZ-SANMLTNESA-N 499.611 5.639 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1832827111 NYNKWHXEQOVUOR-AREMUKBSSA-N 469.629 5.461 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1832827618 QDZLNJDEKYTTEJ-XMMPIXPASA-N 480.008 5.174 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)CC1 1836812905 UGUZTQURNUAHMN-NRFANRHFSA-N 472.695 5.158 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)CC1 1837036239 NIWRJWDCOGRONW-UHFFFAOYSA-N 479.036 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)C1 1842584147 GQBCTBRQXIPLHP-QHCPKHFHSA-N 497.680 5.147 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1c3ccccc3n3ccsc13)C2 1844253157 ZITVSDRMSOZZNG-UHFFFAOYSA-N 477.706 5.022 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1F 10832457 RUOGTUYZEWAFJV-UHFFFAOYSA-O 493.986 6.547 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(Br)c2)cc1 15247643 HKEMOZOFTSBDRS-UHFFFAOYSA-O 489.846 5.507 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2C(=O)c2cccs2)n(Cc2ccccc2)c1C 16674654 FSWVYHYDOKNXPH-UHFFFAOYSA-N 497.576 5.113 30 20 JKED C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 16868539 VNRPYXFBEWYSAJ-CYBMUJFWSA-N 488.400 5.490 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nc2sc3c(c2c1=O)CCC3 17652971 GTHCRIKAPDEKKF-CQSZACIVSA-N 450.589 5.344 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2cc(-c3ccccc3)sc2c1=O 21494402 BEWGUUMCEDBKSL-UHFFFAOYSA-N 493.610 5.059 30 20 JKED N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 22059289 JBBGFTCYOLXGAG-UHFFFAOYSA-N 469.313 5.567 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1 23328183 ZLWDNDVGPBBDAZ-HXUWFJFHSA-N 493.702 5.823 30 20 JKED Cc1cccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)n2Cc2ccco2)c1 26489739 LPCLJLNMEKBWHO-JOCHJYFZSA-N 499.640 5.939 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 26728968 RCNPGLBJGNWJCD-UHFFFAOYSA-N 453.523 5.485 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1[C@H]1COc2ccccc2O1 115027543 UHFGYDWDWGZTHJ-PGRDOPGGSA-N 478.618 5.528 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 250688763 IEVKIYCHBZONOX-OXDNKDMMSA-N 499.656 5.140 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1cccnc1 302702949 UKVGLOMFUORLBR-KBPBESRZSA-N 462.406 5.191 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(Br)ccc1Br 482231418 KXKYGDCBFVLKNA-UHFFFAOYSA-N 456.137 6.003 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 483445481 ZZXTYGDAECHAFJ-UHFFFAOYSA-N 496.677 5.007 30 20 JKED CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 498005316 AZTPVRYORLZUBE-GREBRCKQSA-N 467.013 5.544 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2Br)o1 498430605 OTIZWFUJLFQMKM-UHFFFAOYSA-N 452.352 5.347 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCN1C(=O)CSc2ccccc21 501157262 BINDMHOAECARRG-UHFFFAOYSA-N 459.546 5.068 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 508248673 JHKRSHKXIHFFQX-MRXNPFEDSA-N 477.517 5.268 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 510857805 QYODJTLJPKGQNW-UHFFFAOYSA-N 489.963 5.590 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccc(F)cc1F 516129006 WRYOZPAPCSXDBD-FQEVSTJZSA-N 462.887 6.020 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 517081661 PNXBQPBZTJHKPD-UHFFFAOYSA-N 477.520 5.589 30 20 JKED CC[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1OCC(=O)N1CCCC1 517532927 RYXJNOBRCYWFQO-FPOVZHCZSA-N 480.634 5.355 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1Cl 519107139 SUXJZWFHZXCXLM-PGRDOPGGSA-N 482.392 6.090 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cc1 520078495 SSDIMKGNBOBIKU-UHFFFAOYSA-N 473.576 6.147 30 20 JKED C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520179113 OJGLETWVEHXIOY-IBGZPJMESA-N 457.530 5.203 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccc2ncccc2c1 521797385 PANUBSOQKAGGIZ-QHCPKHFHSA-N 478.943 5.685 30 20 JKED Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1F 521809074 UYULFGHLBAATGH-GOSISDBHSA-N 468.598 5.089 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 522392929 IFLOIFQYNNZBAU-UHFFFAOYSA-N 480.499 5.968 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1C 522553044 UNPQYCFUPUNNFF-OAQYLSRUSA-N 476.024 5.299 30 20 JKED COc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)N2CCCC2)cc1 523129760 SOWDFMFIKQOFGE-NDEPHWFRSA-N 486.591 5.255 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4ccccc4c3CSc3ncccn3)n2)cc1 523964686 SUAGHRJWELMOLK-LJQANCHMSA-N 482.590 6.437 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccc(Cl)cc4)n3C)c2C#N)C1 589902603 FBSYZUSOSVOSTJ-ZDUSSCGKSA-N 472.039 5.314 30 20 JKED N#Cc1c(CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)cn2ccccc12 590615060 PGFYDFKANBWFHG-GOSISDBHSA-N 454.559 5.022 30 20 JKED N#CCCCN1C(=O)CCc2cc(N[C@H](c3cccc(Br)c3)C3CCC3)ccc21 600848310 DOGJZASLSVYDFX-DEOSSOPVSA-N 452.396 5.985 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C(F)(F)F 603566801 GKTAZOCMAGKJAW-UHFFFAOYSA-N 467.476 5.371 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4nc5ccccc5s4)CC3)cn2)c1 603691510 GOWARSRNECGMAC-UHFFFAOYSA-N 455.543 5.767 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 603846238 GVDPOZMPSHNQGS-LBPRGKRZSA-N 465.409 5.121 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603960413 QYYQZJIIHLEHOK-UHFFFAOYSA-N 488.956 6.274 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1-c1cccc(C(F)(F)F)c1 604003178 IOEADBNXMMSJNJ-UHFFFAOYSA-N 490.485 6.097 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)cc2Cl)cc1 604027039 YFNXLOMHJHXSFA-UHFFFAOYSA-N 480.908 5.924 30 20 JKED CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2=O)c1 609061856 JBPXRMUTUFTTOM-NRFANRHFSA-N 471.582 5.159 30 20 JKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4cc5ccccc5n4CC#N)cc3s2)s1 609170142 KBYVGOLPEYZFEC-UHFFFAOYSA-N 471.567 5.649 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 609377861 HKHGDFLWCBUHNY-CYBMUJFWSA-N 461.534 6.641 30 20 JKED N#C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1cccc(Cl)c1Cl 609414437 PKGMWERBWMLVER-LEWJYISDSA-N 483.355 5.266 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 609435298 DRRDUNAVRVLMDP-OXJNMPFZSA-N 461.006 5.832 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 609438385 LXNZBYTWVZMEEX-SBUREZEXSA-N 479.552 5.398 30 20 JKED O=C(CSc1nc(C(F)(F)F)nc2ccccc12)NCc1ccc(F)cc1C(F)(F)F 613971579 YNIVBDCBNXASBG-UHFFFAOYSA-N 463.378 5.215 30 20 JKED O=C(Nc1ccc(Br)c(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539182 WGCMDGMUYHHYEI-HTQZYQBOSA-N 487.160 6.063 30 20 JKED COc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OCC(F)(F)F 618542095 RJPIPHLIORXJBS-NXEZZACHSA-N 468.316 5.231 30 20 JKED C=CCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891417 AQXRNVIDYSZKDH-UHFFFAOYSA-N 474.607 5.713 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC(F)F 726075055 ZSXCIJYXLPAOPT-NRFANRHFSA-N 451.473 5.316 30 20 JKED O=C(C[C@H]1S/C(=N/CCc2ccccn2)N(C2CCCC2)C1=O)Nc1cccc(Cl)c1Cl 726107425 CRAVPEFPIHKJSW-WRQPMBBJSA-N 491.444 5.202 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CC[C@@H](C)OC)C2=O)cc1 726394967 XPDVFCKCOSZVLO-IERDGZPVSA-N 490.025 5.124 30 20 JKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3occc3COc3cccc(C#N)c3)ccc21 726509729 VJDCMYBEFMTCLE-UHFFFAOYSA-N 459.502 5.280 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc3ccccc3o2)cc1 726569925 OMPQBAMLASKRQV-UHFFFAOYSA-O 472.590 5.524 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 726573032 WNQXVZLSSOUBCD-UHFFFAOYSA-O 477.609 5.878 30 20 JKED C=CCn1c(-c2ccco2)nn(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1=S 727429254 JCVOPQUGASCTDB-SFHVURJKSA-N 451.379 5.198 30 20 JKED CCn1nc(C)c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c1C 728697362 OKQZKLRYSHHPCW-CCEZHUSRSA-N 464.525 5.375 30 20 JKED CN(C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1)C(=O)OC(C)(C)C 728740278 LGUPKARKQRVOPD-IBGZPJMESA-N 464.566 5.461 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c(C)c1 728778606 SZCSORZMKXFYER-NRFANRHFSA-N 469.010 5.611 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)cc1F 729146057 OODVNKWOAGAKKG-LJQANCHMSA-N 486.569 5.199 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 729369856 NYLKGYHBNHNNCK-VWLOTQADSA-N 471.557 5.285 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729888310 JTDOFRJOXWHPAH-JTQLQIEISA-N 453.734 5.831 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)cc1 729889967 YHRYKQVQMRVCNF-CQSZACIVSA-N 463.740 5.287 30 20 JKED N#CCCn1cc(C(=O)COC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)c2ccccc21 730625105 NPIBNFNYELDAHI-AREMUKBSSA-N 474.463 5.379 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)cc1C 730710491 MNCGYAHEIHQFDK-OAQYLSRUSA-N 482.993 5.414 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2nc(C(C)(C)C)cs2)CC1 731030220 LVRWEGRHDLWCHF-QGZVFWFLSA-N 456.681 5.510 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CCc1ccc(Cl)c(Cl)c1 731077808 PLEJBQHETBADGG-AWEZNQCLSA-N 451.375 5.360 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)c(C)c1 731078489 OOAUHMJPXXDNFQ-QGZVFWFLSA-N 479.627 5.925 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cc(C)ccc2F)[n+]2ccc(C(C)(C)C)cc2)N=C1C 744115160 DPTVHZYWHCJTLJ-UHFFFAOYSA-O 480.629 6.037 30 20 JKED CC(=O)c1cccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 745313037 ITAOBVNRSJAORN-UGSOOPFHSA-N 459.354 5.963 30 20 JKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 746663795 HYVOSCFVOTUFDR-RUPJRZHISA-N 483.421 5.031 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 746694353 ZEYWSLYHFATFIL-JOCHJYFZSA-N 483.609 5.090 30 20 JKED Cc1cccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)c1 749098644 DHDYSCRODWOGDU-XMMPIXPASA-N 486.572 5.209 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 751140858 AYKWDHNMMMMYBC-UHFFFAOYSA-N 468.263 5.282 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)ccc1OCC#N 799202915 GJHMJAAWFLPBRR-BOPFTXTBSA-N 464.540 5.318 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3CC)N(CC(F)(F)F)C2=O)cc1 799223470 RMNIHZMFTIMTBE-LJQANCHMSA-N 479.524 5.170 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCN(C(C)C)CC2)cc1 837876155 LQEXKCAJRMDKPG-VWLOTQADSA-N 492.689 5.445 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccs2)C1=O 837880942 JDTYXJLIRHATJZ-FQEVSTJZSA-N 486.018 5.571 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccc(CN2C(=O)CSC2=O)c1 914520134 HHYGPIZJWPTBQF-UHFFFAOYSA-N 473.529 5.048 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 915086404 KAAYDGLGEFUFET-DEOSSOPVSA-N 494.016 5.422 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2ccsc2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103279 RZGALTGNQGAKQW-AWEZNQCLSA-N 475.382 6.037 30 20 JKED COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1OC 915103356 TWKOSKDYNBKNFZ-FZHKIGMJSA-N 478.614 5.467 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CC2CCC2)cc1 915111807 OYRJAXHBKBEGGE-HSZRJFAPSA-N 479.602 5.048 30 20 JKED Cc1sc(-c2ccco2)nc1C(=O)OCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 915385850 MVKFOWQXJOXJKZ-UHFFFAOYSA-N 486.553 5.048 30 20 JKED Cc1cc(CCNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(C)n1-c1ccccc1 915749388 UUTGGVJCCXLIEA-NDEPHWFRSA-N 476.580 5.047 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 915751248 CTZLEOSUHLBKGW-YADHBBJMSA-N 461.974 5.287 30 20 JKED CCN1C/C(=C\c2csc(-c3ccccn3)n2)C(=O)/C(=C/c2csc(-c3ccccn3)n2)C1 915982526 HWGOFSROBGSGEN-JYFOCSDGSA-N 471.611 5.095 30 20 JKED CC(=O)Nc1ccc(/C=C2\CN(CCc3ccccc3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 915990701 VXPAUMRHAAVIKI-UKOHILRMSA-N 493.607 5.198 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(NC(C)=O)c2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 916137824 CBYSQNBCEKPSMQ-POHAHGRESA-N 496.922 5.360 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cccc(Cl)c1C 916204965 GKGQPOYAJUODPC-HXUWFJFHSA-N 475.998 5.036 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 916205893 UOOZQNCHVZIROB-OAQYLSRUSA-N 492.016 5.483 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1ccccn1 916206704 UDYNJBSQRUFPFX-JOCHJYFZSA-N 479.005 5.246 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)Nc3ccccc3SC[C@@H]3CC3(Cl)Cl)CC2)cc1 916695591 NHBALKPDOWLIDV-IBGZPJMESA-N 475.445 5.194 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])n1 916885348 ULCIMQOZFJBYEQ-OAHLLOKOSA-N 472.935 5.126 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OC1CCCC1 916887086 KZLPIDGMYYSJKE-SFHVURJKSA-N 460.502 5.292 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916888272 VHBSVWYEBVQZLA-MRXNPFEDSA-N 485.375 5.345 30 20 JKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888585 WVHHBTGFQPSJTH-QMTHXVAHSA-N 459.301 5.423 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916900888 URHDIUDHXFVORA-IBGZPJMESA-N 489.934 5.760 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 916901957 AFNXLJZFUWGVMB-DEOSSOPVSA-N 478.552 5.798 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Br)cc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 916907171 WSVCRTVBIQQNFX-KRWDZBQOSA-N 499.748 5.621 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c12 916916217 QBIYPNYJYGJKKK-QFIPXVFZSA-N 459.509 5.058 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc(-c3ccco3)nc21 916937796 GKHIKBVXGYDLPU-HNNXBMFYSA-N 465.872 5.026 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 916938739 MWQLIKKTDPIEFA-INIZCTEOSA-N 457.914 5.271 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 916955075 METABIVRNBYAPF-HXOBKFHXSA-N 499.533 5.419 30 20 JKED C=CCn1c(SC[C@H](O)c2ccc(F)cc2F)nc2scc(-c3cccs3)c2c1=O 916975516 HDIYUMMYJOWNPS-INIZCTEOSA-N 462.568 5.476 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1nc(-c2ccc(Cl)cc2)cs1 916976134 KZKYVLYQZGDQAW-KRWDZBQOSA-N 496.976 5.730 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)[C@@H]1c1ccc(OC)cc1 917046103 FISZTOBEAKXACX-YDHSSHFGSA-N 482.005 5.524 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H]3CCN4CCC[C@H]4C3)C2=O)c1 917665070 STGNFFIDFUIHLP-HWBMXIPRSA-N 490.673 5.199 30 20 JKED C[C@@H]1CCCC[C@H]1OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917703476 NCLNGKBKOITRSA-CTUHWIOQSA-N 490.629 5.114 30 20 JKED Cc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704019 QKCNFEDJSIFJEV-HSZRJFAPSA-N 472.545 5.166 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 920139823 YYWCIKFPEGNGCQ-HKUYNNGSSA-N 478.549 5.078 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)cc1Cl 920324168 MOJNXEONRRQBPX-NRFANRHFSA-N 470.916 5.162 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2cccc(Cl)c2)no1 920354932 GASHANBGSPCEON-IBGZPJMESA-N 490.919 5.075 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)C[C@@H]21 1783541311 SQXAGEXJCJLDDS-HARLFGEKSA-N 491.657 5.035 30 20 JKED Cc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)n1 1785827282 LJYGQJMCIDXQEK-JWHUVLAVSA-N 464.569 5.478 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3occc3NC(=O)OC(C)(C)C)CCC2)cc1 1786366784 RZTVHQJORQBTCA-UHFFFAOYSA-N 497.592 5.357 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](S)C(C)C)cc3)CCC2)cc1C#N 1786395797 IRWOJXMDBLZOHB-QHCPKHFHSA-N 465.619 5.048 30 20 JKED CC(C)N1CCC(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)CC1 1786667160 KPNPVWITVOYJJQ-NRFANRHFSA-N 472.633 5.182 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3scnc3C)cc2)CCC1 1787424322 YVPJEABAYFIWKI-FQEVSTJZSA-N 498.649 5.059 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5scc(-c6ccccc6)c5[nH]4)CCC3)cc2)CC1 1787881048 DUCFLBHFCSEDDX-UHFFFAOYSA-N 480.593 5.948 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-n4cnnc4)cc3)cc2)CCC1 1787943261 HYXYHQAVNGVNAJ-UHFFFAOYSA-N 457.578 5.007 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C4=CCC=CC4)cc3)CCC2)C1 1789647609 UXASZEDZGRCXRP-XMMPIXPASA-N 491.632 5.256 30 20 JKED Cc1cc(Br)c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc1F 1790148116 HLTWNAKKRXESRE-UHFFFAOYSA-N 495.352 5.158 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCC1 1790216686 RLEUTILGEQBPIA-KWMCUTETSA-N 493.579 5.043 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H](CCCC#C)NC(=O)OC(C)(C)C)cc2)CCC1 1790472880 VFDYNRLIIGUHKA-DEOSSOPVSA-N 493.648 5.011 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@]34CCN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791589653 NNZQXIYXFPDCKY-AMGIVPHBSA-N 481.637 5.124 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)c1 1792148892 BHYRICORVRZUHQ-UHFFFAOYSA-N 499.958 5.158 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cccc2s1 1797651825 RCMKCOWBEPMMHL-FOMCXPQXSA-N 485.030 5.307 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)c(F)cc3nc1Cl)C2 1798334322 TVVALDVVKJDYOI-MHORFTMASA-N 473.951 5.187 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C2)c1ccccc1 1798555604 ZZRSRBIHEGNZQN-PLACYPQZSA-N 472.507 5.056 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)C3)c1Cl 1799305790 LSNBBZWKYNGGTR-REPLKXPHSA-N 490.818 5.403 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1802729080 JRDNRZNLPMYZHI-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1802742226 KHYBEQCEIFCNKQ-NFBKMPQASA-N 454.014 5.355 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccccc4)CCCC2)C3)c1 1803675834 KUDHTGBKTPTHLK-YEHREXKJSA-N 455.602 5.077 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)c(Cl)c1 1803899199 AETFLLQOXUZTJM-CLLJXQQHSA-N 451.728 5.110 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1804374273 JLCUIVNGVLDRML-YVRRWIAXSA-N 468.601 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)s4)C3)CC2)c1 1806800073 NSMAVHYROHTAGS-GOSISDBHSA-N 470.038 5.116 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)CSc3ccccc3)C2)CC1 1809287981 CYIMVSNTZGEPDU-UHFFFAOYSA-N 470.755 5.061 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809442668 BHCJBYAYVLTCBR-CEXJFXJFSA-N 468.022 5.482 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1809672045 JGESUWVHFRYYEM-CUNXSJBXSA-N 489.019 5.105 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1810172650 QUYJQQYYCOGRPF-INNMJMHTSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1810501934 FLIZDBMWIDSWPW-AJTFRIOCSA-N 490.623 5.333 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1810501985 GGCHUUGVBDTZQP-AMGIVPHBSA-N 495.623 6.293 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1811420432 OSWUSHZVXCIMBP-BVAGGSTKSA-N 487.003 5.363 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cccc2Cl)[C@H]1c1cccnc1 1811708270 KYRDDDMNEROURS-PGRDOPGGSA-N 457.977 5.186 30 20 JKED CC(C)C1(C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CCC1 1811875027 DDDZUKFGKPKUIL-OFNKIYASSA-N 498.549 5.118 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)cc3C(F)(F)F)[C@@H]2c2cccnc2)C1 1813976057 NZLBPSFJROSOJQ-IERDGZPVSA-N 477.914 5.040 30 20 JKED N#CCC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814149119 RBAGVNAYUFNINA-FIBWVYCGSA-N 488.676 5.755 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)[nH]n1 1814442347 KODRUHGTCRXACW-CQSZACIVSA-N 469.533 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)n[nH]1 1814533316 MUMVRYFWRHYOML-HXUWFJFHSA-N 489.661 5.040 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CSC3CCCC3)n[nH]2)c1 1815186681 FNLJYQDFKZGOKC-JTSKRJEESA-N 465.623 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)c2ccc(OC)cc2)n[nH]1 1816808036 NFCRWARKPXBCNI-JOCHJYFZSA-N 480.609 5.066 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)c1Cl 1817496914 KANRVERSNUIHIM-YXBWYFRISA-N 465.966 5.016 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2onc3ccccc23)[nH]n1)c1ccccc1 1819521169 YKRJTJVQAKOYCW-RDPSFJRHSA-N 481.556 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3sc(C)nc3c1)CC2 1819600360 ZPCCWPYDBLUXCW-IAGOWNOFSA-N 466.632 5.055 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)c1Cl 1820217880 IQLMGEGYWQHPID-IHHMQQGQSA-N 465.966 5.016 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)[nH]n2)c1 1820486029 RFIRWLPLSIOVDX-FQEVSTJZSA-N 485.441 5.059 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1F 1820496774 CLKRXVQORWLMTG-FQEVSTJZSA-N 465.916 5.002 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1ccc(C(F)(F)F)c(F)c1 1821085712 QIKDDGGWLKVPQM-HNNXBMFYSA-N 480.384 5.216 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821278042 LQWSVXSHQMNJBM-NRFANRHFSA-N 465.916 5.002 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)Oc1ccccc1 1821783407 ATLLDMQJTSTXPS-GAJHUEQPSA-N 491.979 5.098 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1823675613 BKWYLNOWSNGGNS-RUZDIDTESA-N 474.992 5.240 30 20 JKED Cc1csc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823682104 RRNAFNZBTLBEOV-AREMUKBSSA-N 477.674 5.113 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1823885282 NECVTHDHEYRCPP-QGZVFWFLSA-N 487.925 5.281 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C#N)CC1 1823889523 BDHWMQHMDLGUNO-DEOSSOPVSA-N 489.701 5.230 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1823971714 LGNYLAWOOCPMAF-YKSBVNFPSA-N 461.046 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1824142108 FTBABSRXVXNXOD-ZUSJUXBOSA-N 460.618 5.834 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2OC)CC1 1824321227 JGGNYAYMLPNLLD-DQEYMECFSA-N 452.639 5.016 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1824545144 UOIMOFKAKYSRAL-FACVGWQGSA-N 493.511 5.036 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824873127 UKKSQZPSQMPNQD-OAQYLSRUSA-N 472.668 5.390 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1824960941 AWUZHTSJRIZIDK-LJQANCHMSA-N 473.441 5.285 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1)NC(=O)OC(C)(C)C 1826283967 IBXAKHXXVZTVDX-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED Cc1cc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)ccc2[nH]1 1827700461 MLFOJUPOFDKYDX-VFNWGFHPSA-N 483.597 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1827728831 IAMZUVWXPRAMKF-RPLLCQBOSA-N 490.648 5.087 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)CC2)c(Cl)c1 1828044727 ZRYSRPZUVGGVBN-VWLOTQADSA-N 474.992 5.240 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 1828458391 CTWRFKPHMRXHFO-IXDWGBGWSA-N 461.650 5.398 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)Sc3cccs3)CC2)c1 1828778033 MLESYSBOVKJTNL-WMZHIEFXSA-N 481.687 5.342 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1829068972 BAMVMPUUXOJKBU-QFIPXVFZSA-N 453.652 5.522 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829069478 ZAXNFZJTHBCEQG-VWLOTQADSA-N 462.638 5.302 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1829071689 WGDRXMPDHMRKKT-XMMPIXPASA-N 484.681 5.249 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829454655 UERCBOFRLJSKAC-RHSMWYFYSA-N 474.454 5.089 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)cc2Cl)CC1 1829657401 OODWWOLYLGRNFK-JOCHJYFZSA-N 498.973 5.318 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1830102056 XAIVDOPXZVKWSQ-JHUUHBRDSA-N 494.657 5.209 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1830417596 DZVWFAHQNBMLPU-RDPSFJRHSA-N 488.072 5.182 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1830591511 YKSMIYKLRIALHA-MUUNZHRXSA-N 484.644 5.096 30 20 JKED C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830633052 BYEXMEPRLZRXHJ-CUNXSJBXSA-N 457.618 5.180 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830723396 HHOIIJQZFYXVFY-RUZDIDTESA-N 496.076 5.410 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)CC2)c1 1830830263 QMWUDRGGQVHSJR-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(Br)ccc3Cl)CC2)C1 1831320388 YAFGRIPSRYHFFS-QFIPXVFZSA-N 493.873 5.231 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1831840328 HMADTJFDRKDGBA-KSFYIVLOSA-N 489.479 5.154 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831846444 RTIYKCCJHQATCD-XMSQKQJNSA-N 463.087 5.090 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831925924 LECFSBCOXNVLST-KAKNBWJWSA-N 490.688 5.335 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c1 1832631995 ZGADNBYKXPGDIA-MBSDFSHPSA-N 475.614 5.668 30 20 JKED COc1cc(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633324 GQDYVHUMDYFLSZ-JIPXPUAJSA-N 473.617 5.178 30 20 JKED Cc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633446 CMOMNOVHPBTKED-AJTFRIOCSA-N 457.618 5.098 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1832689013 AIJKUHGTYZYJNK-XMMPIXPASA-N 468.638 5.014 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2F)CC1 1832723379 QFAAJMWCASURKU-QVKFZJNVSA-N 483.397 5.173 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCCCCCC(=O)OC)CC1 1832932941 YZAJJNYZDVDHEK-SANMLTNESA-N 488.713 5.484 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(OC2CCN(C(=O)C3CCCCC3)CC2)CC1 1837620021 VUKZEHPDRMMQKF-UHFFFAOYSA-N 498.667 5.279 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)CC1 1838323172 FVKJZAOJFKIRPZ-HSZRJFAPSA-N 484.637 5.421 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1845255139 GYVROEIUXVYZTG-OAQYLSRUSA-N 485.584 5.250 30 20 JKED Cc1ccc2cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(C#Cc5ccccc5)cc4)C3)ccc2n1 1845393063 ZKCUMPUKPPOHJG-UHFFFAOYSA-N 485.587 5.074 30 20 JKED Cc1ccc(C)c(-n2c(SCC(=O)N[C@@](C)(C#N)C3CC3)nnc2-c2ccccc2Cl)c1 9162398 WFSGWUSGKPTVNE-DEOSSOPVSA-N 466.010 5.105 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1cccc2ccccc12 11126404 XWNBDYPCCRZARM-UHFFFAOYSA-O 467.658 7.038 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)s2)cc1 14621512 WBWZMSDDGUTGSM-NRFANRHFSA-N 474.636 6.174 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 16151578 JWNSSJAZOMEDSF-NDEPHWFRSA-N 478.596 5.185 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccc(F)cc1 16835753 YXFWMRFVNFHXHZ-AWEZNQCLSA-N 475.387 5.460 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccnc2Cl)nc2sc(-c3ccccc3)c(C)c2c1=O 18541115 BLEBAWLGZDDIFN-HNNXBMFYSA-N 497.045 5.787 30 20 JKED C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 22616991 VXFDWYRBUJAGHN-UHFFFAOYSA-N 475.437 5.417 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc2c(c1)CCCC2 22686014 CJYLCOPZQJSRQZ-UHFFFAOYSA-O 453.534 5.191 30 20 JKED CC(C)n1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2cc(Cl)ccc2c1=O 23585622 IFVIDRDVDOVRHH-LBPRGKRZSA-N 473.023 5.172 30 20 JKED C=CCn1c(SC[C@@H]2CN=C(c3ccc(OC)cc3)S2)nnc1-c1ccc(Cl)cc1 23951411 QXTZNVPMDXFPEJ-IBGZPJMESA-N 457.024 5.447 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3)o2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28629816 PWLJTRRBKVZJEP-UHFFFAOYSA-N 490.585 6.101 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC)c1 36739896 JHLOZMOLCKOMAS-UHFFFAOYSA-N 473.019 5.696 30 20 JKED C=CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 69894733 QLUINANTFWRMKM-UHFFFAOYSA-N 487.412 5.446 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(SCc3cccnc3)cc2)CC1 106056997 JIZQQILBPIAEHC-UHFFFAOYSA-N 485.569 5.349 30 20 JKED CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 107805548 NDPOJEDLFUZEKW-HJPURHCSSA-N 476.964 5.491 30 20 JKED Cc1nc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)sc1SCC#N 107915739 KWEMKYVYJLPLBE-UHFFFAOYSA-N 465.423 5.134 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1N(C)C(=O)c1cccs1 110483906 PLVUATMCQGBSIP-UHFFFAOYSA-N 468.538 5.644 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 195696822 BRDYYSJLWWZLPW-WBVHZDCISA-N 458.942 5.681 30 20 JKED COc1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(F)F 209972431 FWEYVUANHFZXSX-LUAWRHEFSA-N 457.860 6.098 30 20 JKED C=CCn1c(SC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)nnc1-c1ccc(Br)cc1 302929015 FNUUYOHUAZRERH-IBGZPJMESA-N 498.450 5.013 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN(c3ccccc3C#N)CC2)c(OC)c1 303132078 PLHMMAMZQSHXAJ-UHFFFAOYSA-N 494.595 5.005 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(Cl)c1 486869013 PSBJWCBIIWWWHE-JOCHJYFZSA-N 480.395 5.681 30 20 JKED C=CCc1cc(CNC(=O)c2ccc(SCc3csc(C)n3)cc2)cc(OC)c1OC 497342871 QOVVJPBDKHWSCM-UHFFFAOYSA-N 454.617 5.420 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 499775494 WAJXMCYLHREWSR-UHFFFAOYSA-N 494.342 5.095 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2C)c1C 501602584 DWMCKAMZHKOYRF-UHFFFAOYSA-N 488.638 5.318 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 501701599 UANIUMOIZZBRJE-UHFFFAOYSA-N 489.600 6.094 30 20 JKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 508261533 BCSLINZWIDWYIB-INIZCTEOSA-N 452.605 5.164 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 508271417 ZXXDYCMHBPUKQG-QFIPXVFZSA-N 473.529 5.745 30 20 JKED CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1OCC(=O)N1CCCC1 510653076 YYODBQYECDTKHP-VWLOTQADSA-N 498.583 5.625 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc(OC)c1OCc1ccccc1 513154007 ITSGNPGCYAKOEA-GOSISDBHSA-N 456.420 5.187 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)nnc1-c1cccnc1 514525525 JLQXJVFPWQULTL-SFHVURJKSA-N 462.406 5.588 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)nc2ccccc21 516265521 POPIQRNTTAYUQL-QGZVFWFLSA-N 464.294 5.757 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)n2)cc1 516269953 GKJVOFNTJHAUCJ-SFHVURJKSA-N 469.547 5.672 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccccc2C(F)(F)F)c1 516842635 MWMUWOBPZAVFDE-UHFFFAOYSA-N 469.488 5.238 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 517101197 WBINATBGYNSYPR-UHFFFAOYSA-N 469.950 5.076 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 517146228 FLWVDESFKOCNJB-LJQANCHMSA-N 467.525 5.236 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nc(C(C)(C)C)cs1 517468279 LCBJJBFIIGGTLG-LBPRGKRZSA-N 484.569 5.281 30 20 JKED COc1ccc([C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2c[nH]c3ccccc23)cc1 517885779 KCRHKMMBRSKDNF-HHHXNRCGSA-N 494.595 5.433 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)s2)cc1 518102007 AVYZYKBXOOEZCA-IBGZPJMESA-N 460.603 5.613 30 20 JKED O=C(NCc1ccccc1C(F)(F)F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 518647119 LQRWYTOROACFLR-UHFFFAOYSA-N 498.761 5.826 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 518676428 BIRLEXMEGHNTOW-FQEVSTJZSA-N 455.992 5.252 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 520153497 KOIPEUFVLVTUOE-NRFANRHFSA-N 469.427 5.015 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccccc1Sc1ccccc1 520840059 BRLAXLHNMCNFKC-SFHVURJKSA-N 461.612 5.344 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 521062662 RCZAXCAFTVCIFW-GOSISDBHSA-N 483.975 5.712 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 524304567 CDVOQBYCVQTOFT-XMMPIXPASA-N 455.514 5.799 30 20 JKED Cc1cc(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc(C)c1OCC(F)(F)F 553665283 RWOHDTBQMAWVEI-QGZVFWFLSA-N 465.541 6.303 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 590252850 LUDNBXBVZIDUEE-UHFFFAOYSA-N 470.879 5.673 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ncccc2Cl)c1C(F)F 593647469 DGJSZGYPCWUGSJ-RKDXNWHRSA-N 490.782 5.498 30 20 JKED CCOc1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)c2c[nH]c3ccccc23)cc1OC 603650727 IRVNLPLTXWIMAO-HSZRJFAPSA-N 468.557 5.595 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@H](c3ccccc3)c3cc4ccccc4o3)CC2)cc1 603802772 MZCHTBFLMADRET-MUUNZHRXSA-N 464.569 5.311 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4cc(Br)ccc4o3)c2)c1 603995868 PMIMMPJWCAIVAJ-UHFFFAOYSA-N 460.287 5.572 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C 604450582 GGHXXMOMQYHWMA-IAGOWNOFSA-N 486.460 5.720 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](Cc3ccccc3Cl)c3ccccc3)cn2)cc1 604488533 SURBUJLVEXKYFO-VWLOTQADSA-N 496.954 5.438 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 608895807 XJTFWOHYQHCISX-LBPRGKRZSA-N 464.494 5.127 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc(Cl)cc3)s2)c(C(F)(F)F)c1 608928239 ITTBGQYOENXYDW-UHFFFAOYSA-N 457.886 5.079 30 20 JKED CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 608952781 IHNAJYXEKUIMFA-QHCPKHFHSA-N 474.605 5.673 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)c2)cc1 608994675 PTTSCTXQWBQUJZ-VWLOTQADSA-N 496.394 6.244 30 20 JKED N#Cc1cccc(NC(=O)c2ccccc2COc2ccccc2C(=O)Nc2cccc(C#N)c2)c1 609023031 CQHPGVGHFFMBKD-UHFFFAOYSA-N 472.504 5.514 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609058370 OFUYPUWKBZNABP-KDURUIRLSA-N 471.557 5.409 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 609080290 XQKXRIMDHURCAS-UHFFFAOYSA-N 462.500 5.078 30 20 JKED Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1NC(=O)c1ccc(Br)cc1 609102904 KYWQWTMYXZBCAF-UHFFFAOYSA-N 452.283 5.273 30 20 JKED CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c([N+](=O)[O-])cc1OC 609378536 TWYCPQCTNXGPPP-UHFFFAOYSA-N 469.441 5.279 30 20 JKED C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 609432443 OPRRDTLYTADONW-CQSZACIVSA-N 470.407 5.717 30 20 JKED Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 613259769 BXGXIEZMJVZOFO-CHWSQXEVSA-N 455.393 5.766 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2c(C)nn(C)c2n1 613347348 ZGETZNGDMNRWRD-OAHLLOKOSA-N 456.358 5.506 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2nc(C(F)(F)F)ccc12 642161233 DXYLNVSGHMDDQZ-MYJAWHEDSA-N 478.380 6.263 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S/C2=N\CCc2ccccn2)s1 726108946 NKOYBQVOFYGNLQ-JQBZVHORSA-N 496.633 5.223 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 726410850 JEZFLKKNKGBASS-UQBPGWFLSA-N 498.608 5.183 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc(OC)c(F)c1)c1ccc2c(c1)OCO2 726444549 MUMNKNCAQLQOHC-UHFFFAOYSA-N 466.534 5.531 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cc(C)sc1C 726571646 ZYMDJYIUYNNORI-UHFFFAOYSA-O 455.028 6.063 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2SC[C@H](C#N)CCC#N)cc1 726776193 ALYZPBQRKZSKSB-WCEBZYJUSA-N 469.397 6.222 30 20 JKED C=CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1OC 727177838 OYTQJPDGQBPFEK-DHDCSXOGSA-N 497.823 5.477 30 20 JKED CCOc1cc(/C=C\C(=O)c2sc(-c3ccc(OC)cc3)nc2C)ccc1O[C@@H](C)C(=O)N(C)C 727973947 CGUOVXISEAUYET-PIJNTSGSSA-N 494.613 5.277 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 728109859 DWVRZXNIAAABNZ-CYBMUJFWSA-N 492.837 5.586 30 20 JKED C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)c1 728185142 HMLWJOXJEXPVEZ-UHFFFAOYSA-N 481.467 5.073 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cs1 728346083 BGYXKXYDCKNPOO-QFIPXVFZSA-N 480.977 5.065 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1nc(-c2ccc(Cl)cc2)cs1 728764936 GFLNIRUMJSEBPJ-INIZCTEOSA-N 498.058 6.087 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCCCC#N 728776284 ONGGMCAXXZBOQB-OAQYLSRUSA-N 483.037 5.919 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC(F)F)cc1 728777619 LRRDLWZJIALIKF-LJQANCHMSA-N 490.507 5.081 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1 729144715 XZRDLWVSMYRSQB-FQEVSTJZSA-N 482.606 5.368 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)cc1OC 729887717 AZARBQUBGJGKMG-CYBMUJFWSA-N 493.766 5.296 30 20 JKED C=CCNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1ccc2c(c1)CCCC2 730435235 AGAMGJBJYPSWTB-UHFFFAOYSA-O 457.619 5.419 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)cc1 730714090 WKXFFRMTECSOEK-OAQYLSRUSA-N 482.993 5.612 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 731068942 KEGRRFORIZCLHL-GFCCVEGCSA-N 462.358 5.522 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(Cl)cc2)C1=O)Nc1cccc(O)c1 731305254 AVTDMOWZKHXUKR-OAQYLSRUSA-N 483.952 5.345 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc3cccnc23)C1=O)Nc1cccc(O)c1 731305405 BSWFPZUKEDJIJI-HSZRJFAPSA-N 482.565 5.101 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)o1 731307760 VGPWRROXUARCJT-XFEVJDRUSA-N 493.560 5.408 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(Cl)s1 731310327 FSWTVXOBPJWJJB-IBGZPJMESA-N 486.018 5.576 30 20 JKED CS(=O)(=O)c1ccc(OCCCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 744938464 LMKVJCMTODMFTB-OMQIJLIKSA-N 498.670 5.050 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cc(C)cc1Cl 745989139 LWSIZPSJBPTOIY-LJQANCHMSA-N 477.989 5.093 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 746695516 GTBVTULIDPAPLN-QFIPXVFZSA-N 453.608 5.080 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 747111220 BKGIQLDICWTSIQ-QGZVFWFLSA-N 460.342 5.016 30 20 JKED CC(C)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Nc2ccccc2)cc1 748184265 CMLAPAIAWGUSCI-UHFFFAOYSA-N 461.587 5.563 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1cccc(NC(=O)c2ccccc2SCC#N)c1 749889971 WHXJXQSFIOLAQZ-FQEVSTJZSA-N 495.601 5.111 30 20 JKED CO[C@@H](C)CC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 750152482 DCOMAMFNZXWARU-DYLHUKMJSA-N 468.575 5.206 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837741365 WRFJVRSTFPKYNU-HTAPYJJXSA-N 462.550 5.251 30 20 JKED CSc1nc(C2CC2)cc(-c2nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)no2)c1C#N 904716829 OTIMBVAANSXEMR-UHFFFAOYSA-N 463.563 5.294 30 20 JKED CCc1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)c1 913099895 WNJRYXAXRUQTSR-MRXNPFEDSA-N 456.782 5.457 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1nc(-c2ccccc2)cs1 915101669 FEXJVGCDTBULIO-HXUWFJFHSA-N 483.515 5.558 30 20 JKED CC(C)c1ccc([C@H](CNC(=O)c2ccccc2SCC#N)N2CCc3sccc3C2)cc1 915632925 PQVBUVCCKOZVRW-DEOSSOPVSA-N 475.683 6.017 30 20 JKED CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(Cl)c(Cl)c1Cl 915926925 JLTJHWKUJKYXMJ-UHFFFAOYSA-N 482.824 5.155 30 20 JKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)on1 916057975 ZCYIMGPJKRBRNR-QHCPKHFHSA-N 473.985 6.837 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2c(F)c(F)nc(F)c2F)cs1 916325190 ARVFSJUOLQMHET-UHFFFAOYSA-N 477.365 5.244 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@@H](C#N)c1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1 916626889 BABYKYWHKMGXAE-QFIPXVFZSA-N 457.917 5.114 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916888677 ZHQDPEWIVPVQTI-HXUWFJFHSA-N 480.496 5.606 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)cc1 916909923 LSTALMJDKNYZHD-OAQYLSRUSA-N 476.989 5.632 30 20 JKED N#C[C@@H](C(=O)CCSc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1Cl 916931902 ORSDJYXDPUSKJN-LBPRGKRZSA-N 472.191 5.586 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997249 UKHKSQZWKFJYRB-IAQYHMDHSA-N 492.334 5.624 30 20 JKED N#C[C@@H](C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)c1nc2ccccc2n1C(F)F 917040317 LBXQIMBEUDZTBZ-NNIWKIFQSA-N 487.495 5.021 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042568 GCIFCIFKVMCHTM-NHYWBVRUSA-N 481.496 5.391 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccc(C(C)(C)C)cc2)N=C1C 917610356 NCBPYIGCVPNVCH-UHFFFAOYSA-O 498.672 6.742 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 917698902 LQGMRHAMYNLTAN-QFIPXVFZSA-N 483.540 5.115 30 20 JKED Cc1ccc(-c2noc(CCC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)n2)cc1F 918486974 HNRNUUQUSMFPKN-HXUWFJFHSA-N 484.487 5.257 30 20 JKED Cc1cc(-n2c(C)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c2C)no1 918631966 WCVIUKSIEHRWDJ-UHFFFAOYSA-N 485.491 5.581 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 918709791 WLCXQSQOLZISMZ-UHFFFAOYSA-N 496.426 5.520 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 919866603 DCROTPCNCUVRES-UHFFFAOYSA-N 477.033 5.530 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(NC(=O)c3ccsc3)CC2)c1=S 919957252 WBFOLXLCLXPFHT-UHFFFAOYSA-N 495.718 5.478 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cc1csc(-c2cccc(Br)c2)n1 920102090 OZEITZPFVQDGMA-GOSISDBHSA-N 478.371 5.497 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 920142498 KOLUUPKBASGJHW-FOIQADDNSA-N 469.975 5.151 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)n2)cc1 920145037 ZQTQLTSTQABTHK-SQHAQQRYSA-N 497.620 5.532 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c(C)c1 920353073 AFHDXFYUQAQQFJ-JOCHJYFZSA-N 498.555 5.347 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1c(C)noc1C 920353274 FOYNFDYDBNRPEU-OAQYLSRUSA-N 484.528 5.039 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3c(C)noc3C)C2=O)cc1 920353387 ILBIHGVZEYQYHR-QFIPXVFZSA-N 497.020 5.722 30 20 JKED Cc1sc(=O)n(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1-c1ccc(F)cc1 920807037 WFXVCAIBWGRBCG-HNNXBMFYSA-N 485.512 5.303 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(Cc4ccc(F)cc4)n3)n2)cc1 920878221 WHVWRZZCVLCNRZ-FQEVSTJZSA-N 458.543 5.287 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C(=O)c4ccc(Cl)cc4)cc3)CCC2)cc1 1786117110 KDYYMFSJLYVBIK-UHFFFAOYSA-N 471.944 5.037 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)CCC2)cc1 1786366183 PVCBBDHGKYGQGB-UHFFFAOYSA-N 491.554 5.818 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ncc(Br)cc3C)cc2)CCC1 1787567227 WNYBVZDPFKHXSV-UHFFFAOYSA-N 478.337 5.112 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3OCc3ccccc3)CCC2)cc1 1787888478 PVNKCAOCEUKESL-UHFFFAOYSA-N 487.987 5.970 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cc1 1788649824 AKLUCVREMPNQDY-OUKQBFOZSA-N 469.566 5.001 30 20 JKED CCn1nc(C(C)C)cc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650730 KYWYHTXIYCTMSN-OUKQBFOZSA-N 490.629 5.275 30 20 JKED Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1788821636 RJGKUDATKAHMLK-UHFFFAOYSA-N 468.557 5.110 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1789024383 RKZFUDKQYVIKTE-GOSISDBHSA-N 493.563 6.135 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CCC1)c1ccc(O)cc1 1789077622 GMLLPTFAXBTXOE-OAQYLSRUSA-N 493.563 5.478 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ncc[nH]5)cc4)CCC3)cc2)c1 1790076466 OVKVNIJZWDWVCK-UHFFFAOYSA-N 491.551 5.018 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c(C)n1 1790082747 LWPKKWNYGDQDOC-UHFFFAOYSA-N 458.949 5.285 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)[nH]n4)cc3)CCC2)c1 1790124648 CFACSTFNUMRKEB-UHFFFAOYSA-N 491.551 5.018 30 20 JKED CCOc1c(F)c(F)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)ON=C(C)C)CCC3)cc2)c1F 1790781051 NDZPXNDQZPOYHT-HNNXBMFYSA-N 491.510 5.051 30 20 JKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1)c1cccs1 1790837147 NMIKUEYYHBEUAJ-MRXNPFEDSA-N 469.570 5.047 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)CCC2)c(C#N)c1 1791534009 PYSAFGOEBAWMFQ-SXOMAYOGSA-N 479.580 5.047 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CCc3cc(Br)c(OC)cc3F)CCC2)cc1 1791588666 QYLPQURPGLANDL-UHFFFAOYSA-N 489.385 5.240 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnccc3C)CCC2)cc1)c1ccc(O)cc1 1791642754 QIJKZBSRLAGVIJ-QFIPXVFZSA-N 467.569 5.041 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)c(C)n1 1791769233 IMHJEJUIIZVJET-UHFFFAOYSA-N 480.612 5.270 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc2)CCC1)C(F)(F)F 1792339035 AQPRHMHRIYTRNY-IBGZPJMESA-N 497.558 5.178 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)C2 1793052871 DLCKFBHIPMJJNR-WKCHPHFGSA-N 451.998 5.217 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(Cl)c(Cl)c1 1795588637 REPKEZOZBRFEQB-REPLKXPHSA-N 495.523 5.062 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)C2)c1ccccc1 1798555113 OZTGXTKRYIGPES-SXBJDWDNSA-N 495.667 5.200 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CNC(=O)OC(C)(C)C)c(C)c1 1799260496 UPTXCZUUXZDXLB-BKFWDETESA-N 497.680 5.264 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(Cl)cccc2Cl)c1Cl 1799546841 XQLGSPJSCCQLSF-QDMKHBRRSA-N 462.764 5.084 30 20 JKED CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)cc1 1799769649 NMVPFBQNVPTKAR-NUNAXRQHSA-N 469.507 5.095 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803228177 NQSFZNYJEQSYLK-ILJKJKDTSA-N 468.041 5.393 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cc(Cl)c(Cl)cc4F)CC3)C2)cc1 1804946256 ZPELRJQZRQVLSV-UHFFFAOYSA-N 488.390 5.092 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3ccc(Cl)cc3)C2)CC1 1806718936 KYARDKKRVPHERN-UHFFFAOYSA-N 475.073 5.723 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)Cc3nc(-c4ccccc4)sc3C)C2)CC1 1806900174 ZZESIVATKGQJRL-UHFFFAOYSA-N 477.674 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3cc(C)[nH]c23)[C@H]1c1cccnc1 1809267778 KBKICFFKUYUIQA-RCZVLFRGSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1810178208 MYUIOBMHALKWHH-PNCHPQGNSA-N 473.951 5.101 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3c(Cl)c2OC)[C@@H]1c1cccnc1 1811438553 NRKSCRACSNNPKA-HMHJJOSWSA-N 492.019 5.429 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)[C@@H]1c1cccnc1 1813049139 MQXDPOJHLONCFG-SETSBSEESA-N 490.607 5.124 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)oc2ccccc12 1814738552 METPHFHMHHOKHF-HSZRJFAPSA-N 481.556 5.275 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)[nH]n1 1814824375 FSYRZAMPGVIYTR-GOSISDBHSA-N 462.381 5.186 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1815243399 JRQNBVVQVBLZKS-VQIMIIECSA-N 460.600 5.024 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815533827 QQCJRBWIUCWGSV-VXUXFXFSSA-N 480.556 5.088 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccs2)n[nH]1 1815993141 ROEAIRGISLEEPO-OAQYLSRUSA-N 470.715 5.147 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1818116081 ZTUVVZLMEHJLRN-MDRMPYQZSA-N 498.608 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(Br)nc2C)n[nH]1 1818415909 QSBGSUQZDAYTTM-HOCLYGCPSA-N 492.443 5.011 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1819368901 GFHQNHPTRZQEDI-DLBZAZTESA-N 499.826 5.249 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)cc2c1 1819384873 CQECGVFAVZJCPO-XMMPIXPASA-N 489.696 5.556 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(Cl)s2)[nH]n1)c1ccccc1 1819518634 BMWSKKLPFSAMAQ-IEBWSBKVSA-N 482.009 5.023 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)[nH]n2)n[nH]1 1820277257 KKPDXNAZICUVEE-JOCHJYFZSA-N 460.582 5.098 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)[nH]n2)cc1 1821181608 NGPDPSHIXRQLCP-JOCHJYFZSA-N 486.963 5.230 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)[nH]n2)c(Cl)c1 1821278309 QOCQZLVDVBXUAF-LJQANCHMSA-N 478.965 5.097 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[nH]n1 1821925914 CIFMXOVRGQHJAO-LKRGOLFISA-N 485.426 5.180 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823312248 KMFZVNWHTWXVFF-QGZVFWFLSA-N 497.846 5.051 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(OC)cc2F)CC1 1823753435 OZEBTKZKZWKTLW-QFIPXVFZSA-N 462.581 5.199 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3c(Cl)cc(Cl)cc3Cl)CC2)C1 1824004538 RCYAZYMFKWBHTH-NRFANRHFSA-N 499.866 5.612 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1824500682 LZFXQUXTMMYBAV-AHKZPQOWSA-N 489.100 5.682 30 20 JKED Cc1scc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1826183913 IPELNUVFKKCCKB-IQGLISFBSA-N 463.647 5.539 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1826374452 XWODXNGTNBNWQK-RBISFHTESA-N 487.644 5.188 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1826513741 BGQAXKKMNTYEGP-VWLOTQADSA-N 497.561 5.362 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1828153443 NQEVMFMTAXHBOE-RUZDIDTESA-N 492.982 5.379 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828676423 ULFYUWMCJJXMGB-REWPJTCUSA-N 451.636 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1828826637 JKZUNIYPOVXHOK-JTHBVZDNSA-N 454.014 5.213 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1829066601 LPGZJBPZYNEWMZ-QHCPKHFHSA-N 467.679 5.830 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1)C(F)(F)F 1829573483 CZPRAKNXUKKRBO-NRFANRHFSA-N 499.533 5.780 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)Cc3ccccc3)CC2)c1 1829676190 UGHQYVMNRZKOPW-MHZLTWQESA-N 487.644 5.069 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3F)CC2)cc(C(F)(F)F)c1 1829880018 YPDPFWHLKHTNFH-QHCPKHFHSA-N 487.497 5.263 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)c1 1829958807 LMCJMQZIMKSNGV-MUUNZHRXSA-N 484.644 5.096 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830494284 SSYAIMJFEZXWPX-AJTFRIOCSA-N 491.632 5.513 30 20 JKED Cc1occc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830754545 AGYXGUYPXAIVGC-JOCHJYFZSA-N 473.495 5.026 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Br)cc3c2)CC1 1830872462 BIMBGWHZTGCQQK-HOYKHHGWSA-N 498.465 5.443 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cc(Br)ccc3c2)CC1 1830930546 GCDVJOYFYHEKQZ-DEOSSOPVSA-N 496.449 5.034 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1832030171 IDNOAUHHISSPQZ-QHCPKHFHSA-N 478.555 5.141 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc(C)c1O 1832582818 KPPFBFFGSNARDZ-LVXARBLLSA-N 473.617 5.183 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4c3CCCC4)CC2)cc1 1832643813 HOYQDOGIPUESFF-NDEPHWFRSA-N 469.629 5.179 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)CC2)c1 1832956672 ILVRAPRMSAXHQA-MNNSJKJDSA-N 483.656 5.352 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)CC1 1836696620 LSRMGQDYOFXOCE-GDKKVTFASA-N 470.698 5.360 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)CC1 1838375420 GVQRDROCCFLENE-DEOSSOPVSA-N 459.030 5.029 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)CC1 1838711693 IXCNOVHENZULFV-HXUWFJFHSA-N 489.616 5.252 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)Nc2ccccc2C)nnc1-c1ccc(Cl)cc1Cl 9847936 CKEHPJHTLJSCJO-UHFFFAOYSA-N 491.400 5.020 30 20 JKED COc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2-c2ccc(Cl)cc2)c1 9964658 QEPVXRWELFCIED-MRXNPFEDSA-N 489.988 5.587 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)CCC2 10831252 TXYZXIRULRQCAI-UHFFFAOYSA-O 498.071 6.758 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(CC)cc2)[n+]2ccc(CC)cc2)cc1 11253597 FEAGUWKRMBBZCM-UHFFFAOYSA-O 461.607 5.327 30 20 JKED C[C@@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 12260704 AYKISNCQNNDBKH-CYBMUJFWSA-N 458.301 5.023 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(C(F)(F)F)cc2)c1 16301405 MPTSTFNWMMYLFY-UHFFFAOYSA-N 469.488 5.238 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1=S 16874081 GXJXGJXHZKIYNL-NRFANRHFSA-N 466.607 5.087 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1ccccc1SCC#N 17733490 WXUNLWAEBGHDFN-UHFFFAOYSA-N 487.990 5.095 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccccc1OC 20992255 PKSNGTOLXBXFCJ-RUZDIDTESA-N 484.625 6.229 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 20992268 RJWALGNRIRSAQH-CYBMUJFWSA-N 463.390 5.566 30 20 JKED COc1ccc(OCc2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccc(C)c(Cl)c2)cc1 24095788 ZQWHKYDDDULREW-QGZVFWFLSA-N 467.982 5.352 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCc2cnc(C)s2)ccc1Cl 195688551 BBQASRSDMZNNOU-UHFFFAOYSA-N 497.425 5.497 30 20 JKED O=C1/C(=C\c2csc([N+](=O)[O-])c2)CN(Cc2ccccc2)C/C1=C\c1csc([N+](=O)[O-])c1 215955359 DNTWHKVRWIMQGN-BGOPHSEASA-N 467.528 5.178 30 20 JKED Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1 216575818 IOHRHZYPBQYOMH-UHFFFAOYSA-N 490.629 5.044 30 20 JKED COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(COc2ccccc2C#N)o1 409619543 AOYVNLQIACWZJJ-UHFFFAOYSA-N 458.539 5.643 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)o1 509901686 MHXFTOMJPGUMDE-NIYFSFCBSA-N 455.558 6.245 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 510730327 CJGRFFCUNSXSRF-VWLOTQADSA-N 454.530 5.144 30 20 JKED C[C@H]1Oc2c(cccc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC1=O 511766037 ZTZDWFGMNZIMKD-YGRLFVJLSA-N 458.326 5.326 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1nc2ccccc2s1 513654666 MVKVOYXYOMQNDH-HXUWFJFHSA-N 475.533 5.839 30 20 JKED C=CCN(C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1nc(-c2ccccc2)cs1 515327657 MEZUUSMQRIWXCX-NHCUHLMSSA-N 489.641 5.811 30 20 JKED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1nc2cc(Cl)ccc2s1 515538975 AFBDKWKQWNGUFR-IBGZPJMESA-N 493.997 5.191 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1 515656211 OYYLSNYETFQIJH-UHFFFAOYSA-N 457.477 5.476 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 515673917 IJUGDGIIWQSSJZ-FQEVSTJZSA-N 485.594 5.658 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1nc2ccccc2s1 517307445 WPOQRHURGWPORD-GOSISDBHSA-N 476.355 5.801 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 518730904 GQFCSTFNFOVFAW-UHFFFAOYSA-N 468.557 5.253 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 519413109 BICUVZNQDYRLSL-INIZCTEOSA-N 460.584 5.015 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 520827417 AWMZSJBSKZRQHG-LJQANCHMSA-N 456.571 5.506 30 20 JKED COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Br)c1 520837244 OTJNQANGSSXZKM-UHFFFAOYSA-N 459.287 5.735 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 521711363 XRCGQYZDYUMZBR-UHFFFAOYSA-N 454.870 5.314 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 521735112 YHPUGLQDXMPAJR-UHFFFAOYSA-N 481.584 5.905 30 20 JKED Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1NS(=O)(=O)c1ccccc1 522591731 YQHBZOOMKZEPCK-UHFFFAOYSA-N 487.537 5.092 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1C#N 523275513 AHPVZUVLXZMPHV-INIZCTEOSA-N 479.993 5.276 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 523337017 OVLRYFZMIKZCQV-UHFFFAOYSA-N 483.263 5.016 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1SCc1cccs1 524140504 CCIPMTRWSHVRSF-UHFFFAOYSA-N 470.619 7.052 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3ccccc3OC(F)F)cc2Cl)c1 524383141 QLIXVLIOBHHIEK-UHFFFAOYSA-N 464.877 5.193 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1Cl 603766193 NBCANXUBHKZZJN-CLOONOSVSA-N 459.958 5.563 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)c3oc4ccccc4c3CSc3ncccn3)c2C#N)C1 604528085 PQOGPSYOGLOTAB-CQSZACIVSA-N 460.584 5.825 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 608784897 CSXKPGQENBRTAL-UHFFFAOYSA-N 471.492 5.636 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)c(Cl)c3)cc2)c1N 608925859 DSKUTOYSZHZJNU-QFIPXVFZSA-N 462.340 5.152 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)cc2)c1 609064655 BXZUOBYYLXYFIX-UHFFFAOYSA-N 452.514 5.134 30 20 JKED CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 609080031 ROCDUOIBJDKSAO-RXVVDRJESA-N 483.012 5.339 30 20 JKED CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 609207211 VVUWCEFOXFYBNA-LJQANCHMSA-N 485.462 5.273 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)c2)cc1 609209246 GJECRHCYTXMQHC-SFHVURJKSA-N 475.936 5.282 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1nc2ccccc2n1C(F)F 613403327 FRZKKBQLMSSDRB-CYBMUJFWSA-N 479.796 5.779 30 20 JKED C[C@@H](SCC(=O)Nc1cc(Cl)ccc1C#N)c1nc(O)c2c(-c3ccco3)csc2n1 619555179 UKTXECVXMCYASY-LLVKDONJSA-N 470.963 5.615 30 20 JKED O=C(C1CCC(C(F)(F)F)CC1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517212 CYOJSHMSIINAQB-IJGSQOGDSA-N 477.367 5.993 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](c1ccc(F)cc1)c1cccs1 642663140 NYKJXPPLVQWJII-PBFPGSCMSA-N 468.438 6.185 30 20 JKED C=CCn1c(SCCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccoc1C 644450318 ACTZQRGZKZXFCK-QFIPXVFZSA-N 464.616 5.482 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(N3CCCC3=O)ccc2F)cc1 726075317 JTPAGESPVYLUMC-UHFFFAOYSA-N 460.484 5.198 30 20 JKED CC(C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\CCc1ccccn1 726108363 KYNDAXCCGQFTGX-MKNVGELUSA-N 493.460 5.306 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726321053 CUQBKLGJJJOULR-HNNXBMFYSA-N 459.449 5.189 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2)c1 726396497 SASJUPYYNGFNBZ-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CNC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2ccc(COc3ccccc3)cc2)C1=O 726417194 ZGFMEPXIGBIFBB-VBOMYQPLSA-N 493.654 5.024 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(CCC)C1=O 726418770 AZKOMEAOGNWMKB-BWXASHAWSA-N 459.637 5.337 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726422256 VZZYDSVXQPPKGN-HSTXMGBVSA-N 492.601 5.349 30 20 JKED Cc1ccc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc3c(c2)Cc2ccccc2-3)c1 726570117 SIBSVYHVFAYXLP-UHFFFAOYSA-O 478.597 5.360 30 20 JKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 727038791 PBXTXTFVRLEZKM-OAHLLOKOSA-N 474.394 6.561 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCCC5)cc2)c1 728006048 PRBWXWQWFRNADU-UHFFFAOYSA-N 484.581 5.298 30 20 JKED Cc1cc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c(C)n1-c1ccc(C#N)cc1 728274005 RSFZIMLHEABFRG-UHFFFAOYSA-N 455.562 5.626 30 20 JKED CCCC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OC)cc1 728758143 SKKFSISXCRDSQB-FTJBHMTQSA-N 455.558 5.337 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)cc1 728776214 AFOITAIEPGXSRK-NRFANRHFSA-N 482.993 5.197 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)SC1=Nc1ccccc1 728777815 PIQFZCDRVXKNJO-LJQANCHMSA-N 485.407 5.103 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1 728778219 RXXWQEVMBZOZQI-LJQANCHMSA-N 485.407 5.103 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(NC(=O)OC(C)(C)C)c3)n2)cc1 730690738 CPROWKCYPGTYOU-QGZVFWFLSA-N 467.522 5.795 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cocn2)c(Cl)c1 730721013 PXGWSMUVISESDY-IBGZPJMESA-N 468.966 5.105 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 730942938 ZRYQFZDPIUOKSN-BVZFJXPGSA-N 498.583 6.095 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1C 730943294 BLYAQKSHUFBIOM-MBSDFSHPSA-N 476.577 5.559 30 20 JKED CC(C)Oc1cc(Br)ccc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731075620 GHBAKXDENTVETR-OAHLLOKOSA-N 491.407 5.284 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CNC2(c3cccc(Br)c3)CCOCC2)c1=S 742551041 XJRHUSWOYUWZTL-UHFFFAOYSA-N 499.478 5.591 30 20 JKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(N2CCOC2=O)c1 745626976 WREUVYLPEUBLAD-JXMROGBWSA-N 481.335 6.098 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cscn1 747603873 ZZXCNVUSTQZJKU-LJQANCHMSA-N 488.997 5.405 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc(SC(F)F)cc1 750363438 XROIADYTXHBHIJ-UHFFFAOYSA-N 473.314 5.056 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1-c1ccccc1 750911289 PEAFXKUAULPUPT-KOSHJBKYSA-N 470.598 5.110 30 20 JKED COc1ccc(-c2nc(SCc3ncc(-c4ccc(Cl)cc4)o3)nc(O)c2C#N)cc1 824960093 QDELGOOMYSLPNQ-UHFFFAOYSA-N 450.907 5.330 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840197426 VQLLWHWTNINFCH-DEOSSOPVSA-N 456.571 5.416 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694313 HGQKOPGEHZPVIW-NYHFZMIOSA-N 499.539 5.158 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2ccccc2n1C(F)F 915104389 PMZPVKGPRFTSBN-OAHLLOKOSA-N 476.430 5.993 30 20 JKED O=C1CCc2cc(C(=O)/C=C\c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)ccc2N1 915993337 NUKZWHIIMMRSGS-WMZJFQQLSA-N 465.336 6.027 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(Br)cc2Br)cc(OC)c1OC 916140340 NKHSQKJOXPFOAP-QPJJXVBHSA-N 456.130 5.134 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)c1 916208283 YOLNFRNJAHDRCT-QHCPKHFHSA-N 476.577 5.041 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)cc1 916213218 AADDEYFUEUGFFH-HSZRJFAPSA-N 477.586 5.456 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(C)c1 916216509 VUPMGCOLZVUIMA-LJQANCHMSA-N 463.525 5.693 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O)Nc1ccccc1F 916217487 OENWFLDLFLRMIG-XMMPIXPASA-N 484.556 5.534 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc2ccccc2n1 916849796 SJTNQEHLHNIPDF-JOCHJYFZSA-N 484.353 5.669 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916884752 ZZYGFTYXLJLXTO-SFHVURJKSA-N 471.554 5.632 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 916953851 FDTVWOFRKCVBJG-UQBPGWFLSA-N 495.645 5.114 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976145 LLSSZPNTBDOEHX-GOSISDBHSA-N 467.381 6.160 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995161 BISAKXKIIKPOLF-MRXNPFEDSA-N 486.355 6.720 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl 917030070 RODXHKQOMXZWBK-UHFFFAOYSA-N 473.389 5.316 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 917041866 ZGHFIQWVHDQHKQ-AWEZNQCLSA-N 450.308 5.304 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 917507271 SYRWINKTNYNNBR-SINXNMPMSA-N 464.518 5.281 30 20 JKED COc1cc(C=NNc2ncccc2Cl)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 917549177 JSIZUNVOSUIVAN-UHFFFAOYSA-N 478.858 5.226 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3ccccc3)cc2)cs1 917563263 OCHFZTUFNKZLEX-ATVHPVEESA-N 468.578 6.611 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2C)n1 917666813 YJPHQGGBDVKXDE-JOCHJYFZSA-N 496.995 5.651 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccco2)C1=O 917700661 NGRRBTFDAHDJKH-DEOSSOPVSA-N 485.565 5.602 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C(C)C)c1 917713721 PDEYTMJBHWKTPS-HXUWFJFHSA-N 493.551 5.436 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 917754809 JBJIPVFQCPQCPJ-UHFFFAOYSA-N 464.953 5.561 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 918536629 UBRSPBRZLUIVFN-UHFFFAOYSA-N 495.548 5.041 30 20 JKED FC(F)(F)c1ccc2sc(=S)n(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2c1 918731696 BBDNREUJCFPTGK-AOOOYVTPSA-N 468.410 6.471 30 20 JKED O=C(COC(=O)CCC(=O)c1ccc(F)cc1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 919535002 XGXOKGZMQGSSIY-UHFFFAOYSA-N 483.311 5.147 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c(COc4ccccc4)nc4ccccc43)n2)cc1 920143247 OGFYGHIVWRHAEE-QFIPXVFZSA-N 494.576 5.624 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N([C@@H](C)c3ccccn3)C2=O)c1 920173127 PBQXKGBOPXZUDC-RXFWQSSRSA-N 498.652 5.909 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3cccc(F)c3)CCCCC2)cc1 920321882 PCDCPJGXVWBDDH-SANMLTNESA-N 469.560 5.438 30 20 JKED Cc1cc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)n2)ccc1F 920804947 BHKXPCQYNIHKBN-CQSZACIVSA-N 468.460 5.395 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccccc1Br)c1nc(-c2c(F)cccc2F)cs1 920806504 MHFOHPVGHWZHHW-ZDUSSCGKSA-N 477.330 5.886 30 20 JKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(C)c1 920892526 NYKFBLMCLNUURC-OAQYLSRUSA-N 458.562 5.190 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2cccc(Br)c2)c1 1289191613 PZCXBVDWZPCOLK-UHFFFAOYSA-N 450.336 5.277 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1781739911 LLUKLDJLKRRCNM-ZSADTWRWSA-N 497.639 5.242 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3Oc3cccc4ccccc34)CCO2)C1 1783113882 JSJAMDIEWWMBEN-RCRUUEGKSA-N 484.596 5.288 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4csc(-n5ncc6ccccc65)n4)CCC3)cc2)C1 1785806837 JYPPWWLVSKJCDZ-UHFFFAOYSA-N 483.597 5.196 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5occ(-c6cccnc6)c5[nH]4)CCC3)cc2)C1 1785808563 NDANCAHMFQSELC-UHFFFAOYSA-N 466.541 5.537 30 20 JKED CCCC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)cc1C 1785937333 UGVGHVVFYYOBLJ-UHFFFAOYSA-N 460.578 5.031 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)ncc3Cl)cc2)CCC1 1786980976 XCMNHRDOXROMGU-UHFFFAOYSA-N 488.813 5.439 30 20 JKED CO[C@](C)(C(=O)NC1(c2ccc(NC(=O)C3(C#N)CC3)cc2)CCC1)c1cccc2ccccc12 1787877778 XOMQSZZTZYOYKN-MHZLTWQESA-N 467.569 5.139 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc(=O)c4ccccc4o3)CCC2)cc1 1788649813 WTCWQCZKCPADNM-OUKQBFOZSA-N 498.560 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3Oc3ccccc3)C[C@@H]21 1788737308 QBWAEVYGQUKTPL-CVJWPJSTSA-N 476.617 5.065 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)ccc5[nH]4)cc3)CCC2)c1 1789235794 JJBOGRILXULCGE-UHFFFAOYSA-N 470.479 5.379 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(OC)cc34)cc2)CCC1)C(F)(F)F 1789274955 NCOZJIGCNSLSKG-UHFFFAOYSA-N 457.452 5.043 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C(F)(F)F)c4F)CCC3)cc2)c1 1790148105 GBUQSADAVMRZJW-UHFFFAOYSA-N 470.426 5.106 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OCC4CC4)c3)cc2)CCC1 1790739884 IXYKDJKJJDRWLJ-UHFFFAOYSA-N 460.574 5.035 30 20 JKED CCn1nc(C)cc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785186 UKLRFPOOBQGQRI-UHFFFAOYSA-N 495.505 5.163 30 20 JKED CC(C)(C)OCC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785318 FINDSKQLWIPBIA-UHFFFAOYSA-N 473.495 5.140 30 20 JKED Cc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785338 HMNKTXORRXPGNQ-UHFFFAOYSA-N 484.503 5.404 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Cl)cc(Br)c4[nH]3)cc2)CCC1 1790912598 PYIMWGHHPQJZJS-UHFFFAOYSA-N 499.796 5.635 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791583718 DLWRRACMEXZJBZ-NFBKMPQASA-N 481.637 5.008 30 20 JKED C/C(=C\c1cccnc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1791852826 RNLZCGRATIUKAF-NBVRZTHBSA-N 470.960 5.458 30 20 JKED Cc1nccn1[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1791932727 YKYFPQBTATZDFH-MRXNPFEDSA-N 495.505 5.091 30 20 JKED CC(C)Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)n(C)n1 1792123791 QSHRXLPRHIYLQX-FQEVSTJZSA-N 483.616 5.307 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)cncc4F)CCC3)cc2)c1 1792125077 RJXHGKAAQCMGTB-INIZCTEOSA-N 460.484 5.048 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3Br)cc2)CCC1 1792179344 NQADKDSCERMFAW-UHFFFAOYSA-N 459.771 5.264 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(Br)cc1F)C2 1798593665 ZVTRZKJROJAQJG-ACDBMABISA-N 479.434 5.151 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3occc3n2-c2ccccc2)c1 1799113218 DQFSAMKATGQQPE-UGZNWAIPSA-N 492.579 5.416 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1 1800665088 MRKALUGQZSLYRH-WKCHPHFGSA-N 470.585 5.442 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)[C@H]1c1cccnc1 1802499808 JEDYYFKDNVUZPW-RDGATRHJSA-N 458.606 5.183 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1803089329 OCKFACXVMULSOU-AHWVRZQESA-N 453.671 5.852 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c1 1803682678 KCYZLMCMLQKXFO-YFYLHZKVSA-N 490.818 5.839 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1 1804814014 UACMSTCECGKUAD-UZLGTAQGSA-N 461.631 5.323 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1806065623 HNSGMBMMYCJPPR-FGZHOGPDSA-N 465.103 5.265 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809442670 BHCJBYAYVLTCBR-TXBYWVTISA-N 468.022 5.482 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1810443087 FBWGACIWCUNZND-HPQIJTKRSA-N 469.629 5.053 30 20 JKED Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c1Cl 1813869834 RTKHMROSLXXNQU-CNPGNWEMSA-N 487.003 5.304 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2OC(F)F)[nH]n1 1814830017 MRBMZLFFEAEICB-LJQANCHMSA-N 458.509 5.085 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNc2ccccc2C)n[nH]1)c1ccccc1 1817427390 XPVIQAUUWRVVPV-ZEQKJWHPSA-N 483.616 5.020 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccnn3C)c(Cl)s2)n[nH]1 1817773507 FHOHXORZBFAPOV-LJQANCHMSA-N 499.040 5.025 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4sc(C)nc4c3)sc2C1 1818440887 KSUOAQYLXPKMOB-QGZVFWFLSA-N 466.632 5.055 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)[nH]n1 1819311043 JFIPYZBKYLUVCF-KSSFIOAISA-N 462.928 5.416 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1c[nH]c3cc(OC)ccc13)CC2 1819599308 CQQUTLPVDUWAGA-LCCNYURCSA-N 490.629 5.027 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)n[nH]2)C1 1820089100 HDTJADFTQLOFPQ-OAQYLSRUSA-N 469.545 5.423 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)ccc(F)c1F 1820224035 WZLJZEZHHNFJIP-LJQANCHMSA-N 483.906 5.141 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)cc3)[nH]n2)cc1 1820549601 WZXYVWAHYDKJLG-DEOSSOPVSA-N 494.530 5.102 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)[nH]n2)c(Cl)c1 1821278801 VGHJLXOAGQBKIN-DEOSSOPVSA-N 487.991 5.046 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4c3oc3ccccc34)n[nH]2)c1 1821612133 YJGQJNIQZRBGGR-QFIPXVFZSA-N 478.512 5.129 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](C)Oc2ccccc2)n[nH]1 1821779884 BNASPUBMASAWQV-KNQAVFIVSA-N 452.599 5.252 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](C)Oc2ccccc2)n[nH]1 1821782298 WCBXCPFEQOFEKT-AUSIDOKSSA-N 450.583 5.028 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n[nH]1 1821788744 VHVOWGVOTDRBDV-BEFAXECRSA-N 498.496 5.522 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1 1821858587 VWBJYYVLUMURAC-LJQANCHMSA-N 481.449 5.261 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)c1Cl 1822961280 JTGOEVYOAMENQO-RDEMWXPNSA-N 465.985 5.211 30 20 JKED Cc1cc(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c1 1823192486 ZGFZPWZOSXQKJY-QFIPXVFZSA-N 461.953 5.057 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c1 1823213532 XCCFNFARGYPTMJ-NYHFZMIOSA-N 479.943 5.449 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OCC4CC4)cc3)n[nH]2)c1 1823272791 GINRBCVYUFOMCU-NIYFSFCBSA-N 497.599 5.445 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)ccc(Cl)c3F)n[nH]2)cc1 1823274499 XMBYQKAAWSYHIC-LJQANCHMSA-N 483.906 5.027 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823312148 FPXNBFIRQVGZPU-AEFFLSMTSA-N 499.862 5.086 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823679029 UXABOPAAQIESRA-NRFANRHFSA-N 463.956 5.266 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)cc1 1823986972 KMWKKPGLVFXOLF-RUZDIDTESA-N 481.999 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)CC1 1824040455 LLQNYSOKIPKIHX-SANMLTNESA-N 463.666 5.333 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1824142959 BFBNXAFNGVUBCB-AREMUKBSSA-N 477.649 5.037 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1824385413 AVFRXSOZFYQEAF-WXVAWEFUSA-N 489.685 5.291 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1824511261 CLHHGQNLJXJYNC-DCEDVJGZSA-N 475.073 5.290 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c[nH]1 1825437974 KMHMNPJWWIAUSM-GLCJEOIMSA-N 481.662 5.046 30 20 JKED O=C(c1ccncc1-c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826524878 DDZGIESSGVTASP-GDLZYMKVSA-N 477.608 5.034 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC)cc2)CC1)c1ccccc1 1826851968 YBLOSCJVRZQSAR-WUFINQPMSA-N 471.645 5.159 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1)c1ccccc1 1827327118 BDUTXXWAAKVHJZ-JPYJTQIMSA-N 498.549 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc3c2CCCO3)CC1 1827384753 NGPNQLPFMNFVLI-QFIPXVFZSA-N 458.668 5.299 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827775845 DIIAVEDGUYWWAV-HXUWFJFHSA-N 452.517 5.300 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(O)nc4ccccc34)CC2)c1 1828138090 BJDNJOLPRMNLHS-DCFHFQCYSA-N 496.611 5.115 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1828830085 KOQUAQINAKQYDH-RPLLCQBOSA-N 499.655 6.430 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(Cl)ccc2F)CC1 1828903416 AIXCARDNZHWNEV-OAQYLSRUSA-N 492.111 5.159 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(c3)c3ccccc3n4CC)CC2)C1 1829695291 MGDYXEFTTPYQAS-MHZLTWQESA-N 483.656 6.014 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1 1830057280 KURSMXKDUVPENK-HHHXNRCGSA-N 475.608 5.297 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)c1 1830718199 CIZKXUSOLHTFJD-HSZRJFAPSA-N 493.579 5.598 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1830991633 DPAGKWBZGBIIEW-RUZDIDTESA-N 489.019 5.169 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(Br)cc3F)CC2)C1 1831317107 LAUCOAYAMZWLJW-QHCPKHFHSA-N 491.445 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1832056780 TVRXXGLYVQXDPH-FCEKVYKBSA-N 477.693 5.039 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c1Cl 1832603529 PKMZKMICQCDUKM-DEOSSOPVSA-N 464.009 5.262 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C(C)(F)F)CC2)c1 1832629411 PMTBRNVTTWXRGD-XMSQKQJNSA-N 459.581 5.228 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c1 1832631988 ZGADNBYKXPGDIA-FDDCHVKYSA-N 475.614 5.668 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccncc34)CC2)c1 1832634412 QZYXYNJFPXWXQL-PIKZIKFNSA-N 480.612 5.409 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cc1C#N 1832702426 IOVSNWIWSJDDHZ-HHHXNRCGSA-N 499.655 5.311 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 8750556 IJRBQCJHLLETMH-CMJOXMDJSA-N 471.989 5.262 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nc2cc(Cl)ccc2c1=O 9353203 IBPOENWLAGWKNG-LBPRGKRZSA-N 458.996 5.004 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)cc2)cc1 10829345 ULEOZMBCPSXSSG-UHFFFAOYSA-O 457.541 6.346 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2cccc(Cl)c2)cc1 10830255 XFZPKJHHRDVJMA-UHFFFAOYSA-O 472.033 6.908 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(Cl)cc2)cc1 10831860 ARVIQFVSTCWPDE-UHFFFAOYSA-O 455.003 5.388 30 20 JKED N#CCCN(CCC#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2 10860969 ODGCYXDTOISFOM-DYTRJAOYSA-N 496.542 5.064 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2cccc(Cl)c2C)cc1 11258473 BISOEDKAUHIJPT-UHFFFAOYSA-O 499.056 5.671 30 20 JKED CCc1cccc(CC)c1NC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cccc(C#N)c1 11549834 MAWKGURYLHKHCR-SANMLTNESA-N 466.610 5.252 30 20 JKED C[C@@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 23212882 UHRGUDSINIADQO-OAHLLOKOSA-N 464.518 5.011 30 20 JKED O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 26980259 HDILQEHQNWXUFJ-UHFFFAOYSA-N 495.530 5.040 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccc(COc4ccc5ccccc5c4)o3)CC2)cc1 27241154 WAETUOVDFCOVPI-UHFFFAOYSA-N 465.553 5.232 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 78719906 DAELJQFVAPCECD-SIBVEZHUSA-N 453.542 5.289 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)no1 107648887 QEXOWILCHNMDRN-JOCHJYFZSA-N 474.973 6.232 30 20 JKED COc1ccccc1Nc1nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c(=S)s1 107683006 CNZMXPQQINQUNH-UHFFFAOYSA-N 465.526 5.320 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccccc1F 195569194 VSPJUNNROLVIAT-NSHDSACASA-N 452.342 5.091 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccc4SC[C@H](C)C#N)CC3)c2c1C 303249897 BQPRKUKOLOFFQK-OAHLLOKOSA-N 465.648 5.415 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1)c1ccccc1 303294918 XSZMMYTUBDZWPL-XMMPIXPASA-N 451.979 5.334 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3ncsc3c2)nnc1-c1ccc(Cl)cc1Cl 479194493 MRVDJWIQCLNPNH-UHFFFAOYSA-N 476.414 5.778 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 484609036 BLRWFGOCXOTJJH-UHFFFAOYSA-N 454.505 5.585 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(OCC)cc3)no2)nc2sc(C)c(C)c2c1=O 495319401 NTWPNIDBFDSMEO-UHFFFAOYSA-N 454.577 5.002 30 20 JKED COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)c2ccccc12 499433619 WZIKVQMGDHLOCO-LJQANCHMSA-N 455.558 5.140 30 20 JKED Cc1sc2nc(CCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)nc(O)c2c1C 499983199 OLAPWPBSSIILCE-UHFFFAOYSA-N 472.570 5.230 30 20 JKED COc1cccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)CCC#N)c1OC 500179035 VLYQIKVMSHIFPS-GMQRBVGNSA-N 455.558 5.361 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(-n2c(C)cnc2O)cc1 502404962 OFMLFTNQLFQVBQ-LJQANCHMSA-N 467.529 5.741 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(Br)ccc1OC(F)F 505312465 QOMPOHXLTLPKSW-UHFFFAOYSA-N 466.326 5.290 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1F 509905697 RCZDTDFMBBJXAR-VWLOTQADSA-N 469.520 5.115 30 20 JKED CCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@@H](C)c1cc2ccccc2o1 510601479 NYYOCVFEPGQUAR-HNNXBMFYSA-N 463.588 6.063 30 20 JKED Cc1cc(C)n(-c2ccc(CCNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)n1 511406249 VPBQCLSAMFOIGT-UHFFFAOYSA-N 479.584 5.498 30 20 JKED CCCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 512322236 XFINGFYDNRKAKA-RTWAWAEBSA-N 496.567 5.046 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1ccccc1Br)c1ccc(C(F)(F)F)cn1 513186491 JKVNAVZBRAVWQL-QGZVFWFLSA-N 475.264 5.932 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc2sc(C)c(C)c2c1=O 513252001 GSVAXILZJSUFPT-UHFFFAOYSA-N 479.414 5.910 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)nc2ccccc21 513996292 GSUPTEJHNYAGBN-RUZDIDTESA-N 478.556 5.549 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 515542853 BVZGMFWSWFTHQS-SFHVURJKSA-N 453.552 5.609 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc(OCCCC#N)c4)c23)cc1 515616145 SLUFKGNMJPSEKS-UHFFFAOYSA-N 474.611 6.080 30 20 JKED O=C(CCCCCC(=O)Nc1ccc(F)cc1C(F)(F)F)Nc1ccc(F)cc1C(F)(F)F 517171682 WBPINAFDHCUIDD-UHFFFAOYSA-N 482.371 6.530 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 517517613 DGCWSEXSBDHVOY-IBGZPJMESA-N 451.595 6.786 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 518259889 RUMJMWFDJRIDOI-CRAIPNDOSA-N 463.525 5.696 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3cccs3)cc2Cl)cc1 518465103 AZEUVLOCBAGANS-UHFFFAOYSA-N 491.956 5.826 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)cc1 518662510 HFHQWSGSBRUBGQ-RDPSFJRHSA-N 457.599 5.747 30 20 JKED CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1 518673744 FFFJVLSZWVBRDW-YCRPNKLZSA-N 453.530 5.077 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(Br)cc1 519430209 DNFRXIYKEIQCEJ-HNNXBMFYSA-N 465.438 5.452 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OCC(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 520012544 DOIRLDZZUJABQT-UHFFFAOYSA-N 482.915 5.456 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 520188581 GBLPQCDMAPTMBA-MRXNPFEDSA-N 469.563 5.273 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 520854181 FRISZUMRIUHRKF-SJORKVTESA-N 473.440 5.349 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cccs2)cc1 520936201 UVRDIFBXLAFSOH-HOYKHHGWSA-N 477.655 6.110 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520939022 JRQIPQGBQCMELX-UHFFFAOYSA-N 469.520 5.976 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 521259558 RBYUOOOOWNQJCL-ZDUSSCGKSA-N 455.873 6.195 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1ccccc1 524566415 TZOLBNNKWOACHK-PMACEKPBSA-N 475.614 6.409 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCc2ccc(OC3CCCCC3)cc2)cc1 549032976 AQTOYDVSIXJECN-UHFFFAOYSA-N 499.567 5.326 30 20 JKED N#Cc1cc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)ccc1OCC(F)(F)F 557484205 FHKLMGVEFABMIV-UHFFFAOYSA-N 478.858 5.705 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(OCc4cccs4)c3)s2)cc1 603615695 VOKTVQLPLRFIJY-UHFFFAOYSA-N 464.597 5.595 30 20 JKED CC(C)c1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1-c1ccccn1 603815514 HNTJGMWTGXDCQL-UHFFFAOYSA-N 451.530 5.288 30 20 JKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 603846190 BLTZPKOQIPZKHF-INIZCTEOSA-N 495.873 6.095 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 603983895 RLIKOELEPUEICW-UHFFFAOYSA-N 462.449 5.031 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)cc2Cl)cc1 604027420 YULAMGYHJYSBJT-UHFFFAOYSA-N 472.932 5.359 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)cc2)cc1 604456720 OCEPGDHVQQAGTF-UHFFFAOYSA-N 470.554 5.030 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 604502489 WUKFQFDYQYFMFM-UHFFFAOYSA-N 469.463 6.050 30 20 JKED CC(C)[C@@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 608838076 HWOJYHOLNQUPSN-HXUWFJFHSA-N 487.482 5.054 30 20 JKED N#Cc1cn(CC(=O)N(Cc2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)c2ccccc2c1=O 609027813 AWBKKYHECNRGKJ-UHFFFAOYSA-N 486.015 5.524 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 609061040 QGJCTAHFVIKKAO-UHFFFAOYSA-N 474.582 5.414 30 20 JKED CCOc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c([N+](=O)[O-])cc1OC 609061239 MQHVJEXLIGCJCD-UHFFFAOYSA-N 461.474 5.014 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)c1 609064883 QRISSYBAKFJHCZ-UHFFFAOYSA-N 481.409 5.128 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 609098327 PLXHLOBPCFMSGH-DEOSSOPVSA-N 492.501 5.745 30 20 JKED CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609148281 XFFDIZDRDVDFGQ-UHFFFAOYSA-N 477.609 5.410 30 20 JKED COc1cc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c(OC)c1OC 609163978 DUHGBNMIJQRQKZ-IBGZPJMESA-N 475.932 5.755 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 609376856 KLSPUUDVRDVPQX-RTBURBONSA-N 491.638 5.331 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 609402925 URACYVNKFNKVQA-WAIKUNEKSA-N 481.980 5.575 30 20 JKED Cn1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(-c2ccccc2Cl)n1 609410195 LVWCQBATSOLOHZ-UHFFFAOYSA-N 456.933 5.638 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)cc1 609416392 NOPORWLCZQNIQQ-NRFANRHFSA-N 488.396 5.122 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611829251 QLHPCOZFLVETEV-CHWSQXEVSA-N 495.464 5.952 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 613404444 RATBESWGOQWWJG-NRFANRHFSA-N 497.505 5.842 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613405342 ZHJFTSUFJXRZPS-OAHLLOKOSA-N 491.491 6.288 30 20 JKED C=CCn1c(SCc2ccc(OCC(F)(F)F)cc2)nnc1[C@H]1COc2ccccc2O1 614382993 XXWDWTPTHQPEOY-LJQANCHMSA-N 463.481 5.210 30 20 JKED CNC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2ccc(Cl)cc2Cl)N(Cc2sccc2C)C1=O 726395634 FHNYUYRIQPPFDA-RJMUXVDISA-N 470.447 5.061 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(C#N)c(Cl)c1 726408237 YCVQFOCFSYDYGG-NRFANRHFSA-N 462.962 5.345 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1 726572781 ODHKZKRYELHVFD-UHFFFAOYSA-O 476.021 5.820 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)COC3)[n+]2ccc(C(C)(C)C)cc2)c1 726572894 IZBBVKCUGCHBBJ-UHFFFAOYSA-O 455.603 5.606 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(F)c(C#N)c3)c2)cc1C 728192484 OLCQGPPSPWSNJC-UHFFFAOYSA-N 457.914 5.021 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 728423068 OHMIKNUFBQKKPP-ZHRRBRCNSA-N 489.988 5.328 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(Cl)ccc(C)c2Cl)N(Cc2cc3ccccc3[nH]2)C1=O 728430099 NNGFJHZGBQMNKW-QGZVFWFLSA-N 475.401 5.051 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)c1 728776971 HOGRUQQPPDBQHL-HSZRJFAPSA-N 477.634 5.024 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1F 728779587 KBEYYTIUSFNUDL-LJQANCHMSA-N 476.936 5.272 30 20 JKED C[C@H](CC#N)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 728874058 MEBRAOYCMXDHJW-LJQANCHMSA-N 482.005 5.110 30 20 JKED C=CCn1c(C2CC2)nn(CN(C)[C@H]2CCSc3ccc(Br)cc32)c1=S 728908668 IMWFTROTAPRTHA-INIZCTEOSA-N 451.459 5.366 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@@H](C)c1cccs1 729145663 MZUUFBSOMUANQV-NMHZHZETSA-N 488.635 5.242 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C(/C(=O)c3cccc(OC)c3)c3ncc[nH]3)c2)cc1 729240139 BVXWBKMGMYJLKT-JLPGSUDCSA-N 453.498 5.103 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1 729566931 YNMUQTSRCJHWQU-HXUWFJFHSA-N 480.565 5.222 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)c1 729630795 AGTKCKOMFCLHPJ-OVKZZRKASA-N 492.670 5.658 30 20 JKED Cc1oc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)c(C#N)c1C 729726196 AXPAFPIUWLMUPP-UHFFFAOYSA-N 471.296 5.101 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)cc1 730491127 NYWZTWVTOREJHR-GOSISDBHSA-N 497.564 5.137 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1Cc1ccccc1 731065133 WUMJCTQRHVHKDY-GOSISDBHSA-N 461.587 5.201 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731306028 JBXFUCQMZIVLNP-GOTSBHOMSA-N 475.545 5.179 30 20 JKED Cc1ccc2c(c1)[C@@H](N1C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC1=Nc1ccccc1)CC2 731307296 QXXUYOCKAVIZLR-BJKOFHAPSA-N 471.582 5.348 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(C)Cc2c(CC)oc3ccccc23)c1=S 732551514 OBSQGQFKPCIBAL-UHFFFAOYSA-N 453.656 5.027 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 743524388 JQAAOJBQFXKRBZ-OPAMFIHVSA-N 480.540 5.390 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCCOC3CCCC3)C2=O)c1 747041520 ALHLLMXPZPETFS-DEOSSOPVSA-N 479.646 5.613 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O)Nc1ccc(F)c(Cl)c1 747600408 QOUGKKXNJWYWLW-SFHVURJKSA-N 488.997 5.139 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cscn2)C1=O)Nc1ccccc1F 747600955 RSDKVGYFXJLQAY-GOSISDBHSA-N 474.970 5.096 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccc2F)c1 837359490 GZFBRIAHVLGLRI-QFIPXVFZSA-N 499.514 5.273 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CCC(C)C 838504450 OUTMPPZZEJCFOL-FQEVSTJZSA-N 493.551 5.720 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccnn2C(C)C)ccc1Cl 863215189 XETBTTDERFRUDK-UHFFFAOYSA-N 493.416 5.404 30 20 JKED N#CCCCS(=O)(=O)c1ccc(-c2nc(-c3ccccc3OCc3ccccc3)no2)cc1 904462976 FZHMZKOWSDXPIH-UHFFFAOYSA-N 459.527 5.060 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2sccc2C)C1=O 914540640 ANXDCFVAQKWNNZ-HXUWFJFHSA-N 483.590 5.365 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2)cc1 914772741 MYJXAGVPHSHGEZ-DEOSSOPVSA-N 491.588 5.441 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103523 WNNRSPMHYHGEAF-KRWDZBQOSA-N 471.369 5.515 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N2CCCCC2)cc1 915353742 WRFFTMHDTIGQFI-NSOVKSMOSA-N 468.601 5.699 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 916217262 JEEXCXXHIWRUHW-APWZRJJASA-N 478.401 5.133 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 916240978 ZRSXRYPLUQPGIC-UHFFFAOYSA-N 468.779 5.115 30 20 JKED CCOc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CN[C@@H](CC)CO)c3C#N)C(C)(C)C2)cc1 916572163 WGTOAYVGIUFMPL-AQWUKCDYSA-N 479.646 5.096 30 20 JKED COc1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccncc1 916592343 GEFRKIODHOYHEI-UHFFFAOYSA-N 463.493 5.016 30 20 JKED Cc1cc(OCCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1Cl 916654041 UVMQNEDDPTZBFF-MRXNPFEDSA-N 455.967 5.273 30 20 JKED COc1cc(/C=C\C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1OCc1c(C)noc1C 916849064 OHIREVGAMLBESQ-UOMAQRANSA-N 453.498 5.317 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916886692 JCULBQGFYMGOEO-CQSZACIVSA-N 465.547 5.317 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1C 916888277 VKRXPRDKJXSDKW-IBGZPJMESA-N 486.569 5.244 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)COc1ccc(C2SCCCS2)cc1 916902412 XHVZTKHYDZWCNB-KRWDZBQOSA-N 491.034 5.252 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(Br)ccc1F)C(=O)Nc1ccc(Cl)cc1Cl 916927015 CJNGEXAPJUZIRL-WZIBOORMSA-N 456.098 5.256 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916930973 IMXPJHJBYKUWHZ-HNNXBMFYSA-N 498.313 6.026 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 916947676 AARTWODAJAAWOW-YCRPNKLZSA-N 477.561 5.923 30 20 JKED N#C[C@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917032622 LXYNRLMVFZEQLC-CUIDRNPASA-N 472.614 5.860 30 20 JKED CN(C(=O)CSCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)C1CCCCC1 917043317 KMGQPCVTJVREIC-OAHLLOKOSA-N 469.554 5.016 30 20 JKED COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4C#N)C3=O)o2)c([N+](=O)[O-])c1 917644984 PRMKUYCSPSPXOT-RGVLZGJSSA-N 463.496 5.141 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(F)(F)F)c2)s1 917657226 XZNMBZDNPZRWHX-SFHVURJKSA-N 481.565 5.130 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917679222 FWCSGEVNAYRVJX-LJQANCHMSA-N 473.982 5.701 30 20 JKED N#CCOc1cccc(NC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)c1 919906348 YETSHOQKBHCZKS-UHFFFAOYSA-N 455.436 6.064 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1 920142711 MDJXOEIHTPGCDX-LQKSQIRFSA-N 491.657 5.352 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c1C 920353860 UXXSKLQSDNPVBU-QFIPXVFZSA-N 480.565 5.208 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)c1ccccc1 920755524 NRFCZQBYDJHUML-HAHDFKILSA-N 457.961 6.018 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)cc1C 920839219 XDMLWDRFFYFGAP-UHFFFAOYSA-N 458.562 5.309 30 20 JKED COc1ccc(Nc2nn(CN(Cc3ccc(C#N)cc3)CC(F)(F)F)c(=S)s2)cc1 921188758 JGIMYBCJJOYAND-UHFFFAOYSA-N 465.526 5.320 30 20 JKED N#CCc1ccc(Oc2ccc(C(=O)N3CCc4c(ncn4CCc4ccccc4)C3)cc2)cc1 929071089 SSNQIUUXRDKDMJ-UHFFFAOYSA-N 462.553 5.183 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)nc(O)n4CC(F)(F)F)cc2)cc1 1442493274 RCTMWLZVTSYWII-UHFFFAOYSA-N 452.392 5.220 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3CSc3ccccc3)CCO2)C1 1778888193 ZBRBIKQMRCGILZ-ABYGYWHVSA-N 490.669 5.191 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786036010 FPADIUSNAOXOMD-UHFFFAOYSA-N 489.616 5.137 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCCc3ccccc3F)cc2)CCC1 1786118518 OQEKGKKBNPSFNK-LJQANCHMSA-N 453.558 5.083 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)COc4ccc(Cl)c(F)c4)cc3)CCC2)cc1 1786325761 SBMJFKBUOMGIIJ-UHFFFAOYSA-N 491.950 5.106 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1786362701 TVVBBUSLCIWSNO-LJQANCHMSA-N 481.552 5.214 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)c(O)n1 1787172152 YIQNAWIPANYIQC-UHFFFAOYSA-N 483.559 5.479 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CNc5ccccc54)cc3)CCC2)c1 1788049205 RZSHKJPFNSXGBR-KBMIEXCESA-N 464.569 5.271 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nccc5occc45)cc3)CCC2)c1 1788343628 NEJXUTNTZKLUFZ-GOSISDBHSA-N 464.525 5.516 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)c(C)o1 1788356487 MLGYIZYQQLAZPG-UHFFFAOYSA-N 482.462 5.243 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3C)cc2)CCC1 1788361020 VVEDXIOFTBPZPA-NRFANRHFSA-N 484.600 5.606 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(F)cnc4Cl)cc3)CCC2)c1 1789715094 NQJRZAHPQLCGDA-UHFFFAOYSA-N 476.939 5.126 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c(F)cncc3F)cc2)CCC1 1789867773 QWOGVGFZUQHNEN-UHFFFAOYSA-N 469.608 5.159 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(OC)c4)cc3)CCC2)cc1 1790072558 CNHRPHLXNQCOLC-RRPNLBNLSA-N 495.579 5.127 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccc(F)cc4)CCC3)cc2)c1 1790072734 IDCXWIOHWNGZRN-UIOOFZCWSA-N 483.543 5.257 30 20 JKED C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1790559246 XAGJXWNEWAAFCT-JUWJPQTCSA-N 474.582 5.089 30 20 JKED COc1cc(Cl)ccc1CC(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790708643 LLCAGVKNCNCGIK-UHFFFAOYSA-N 487.987 5.405 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(O)c4cc3OC)cc2)CCC1 1790930006 OLIOXZZAWNTBPR-UHFFFAOYSA-N 456.542 5.105 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)cc2)CCC1 1791199053 WMKAJXQODPMMSQ-UHFFFAOYSA-N 479.020 5.326 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1C#N 1792168909 NAPAJKAPQXSHTF-UHFFFAOYSA-N 492.579 5.473 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3C)cc2)CCC1 1792169043 VBBWDOKSJACTQL-QGZVFWFLSA-N 475.511 5.562 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCC3)cc2)CCC1 1792211222 HXXDSXZOYISVFL-HSZRJFAPSA-N 469.626 5.170 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cnc(-c5ccccc5)s4)CCC3)cc2)CCC1 1792231442 YYERAFNZGPQFTQ-UHFFFAOYSA-N 456.571 5.252 30 20 JKED CC(C)(C)OC(=O)CCCCCCC(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792233359 HGBYGLLAADYDHB-UHFFFAOYSA-N 481.637 5.497 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCCN(C)C(=O)OC(C)(C)C)cc2)CCC1 1792334849 VYSGVUYFCKHQNS-UHFFFAOYSA-N 485.669 5.760 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 1793475013 KIDVZHLWHCYUDG-UEQSERJNSA-N 497.680 5.191 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(F)c(F)c1 1796503863 SSGSPENJVHDWQP-WOZUAGRISA-N 465.544 5.047 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1802500389 NGNDAMJKWMPJCN-OFNKIYASSA-N 498.549 5.284 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1802726719 OVHFIPYALYENKG-CQOQZXRMSA-N 451.998 5.131 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)CC1 1802966688 HBFQMNLMTHKYGY-FCOWVFLDSA-N 478.036 5.009 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1803082053 NFUXCAPFVKDSJY-IRPSRAIASA-N 494.639 5.540 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1804166319 HKJMUMXZTVRZNA-MIHVYDCKSA-N 483.612 5.088 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CC2)C1 1806064064 YXZJZOCIQJLVMN-DEOSSOPVSA-N 490.673 5.029 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1808145956 MLECFMZJVRYUKV-AOYPEHQESA-N 487.644 5.273 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1808146942 DLMLUVYNTGSSQJ-BFLUCZKCSA-N 487.644 5.273 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c1Cl 1808530420 OULSLXFNWRCRLQ-WUMBHQOZSA-N 477.008 5.063 30 20 JKED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)c3c4ccccc4n4ccsc34)CC2)C1 1809297776 DGYUJSPNYAQGLV-UHFFFAOYSA-N 481.621 5.051 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1809549259 OSGVMBWEOOUTAR-VNSJUHMKSA-N 478.036 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1809846871 HUCHTYLPRFJDLV-NTKDMRAZSA-N 479.621 5.747 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1810171287 DQNNXKMFLDRFSQ-DFIYOIEZSA-N 494.060 6.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1810173395 ONFGKXJOYKIMLA-NOTUOJBMSA-N 468.601 5.026 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4cc5c(C)snc5s4)C3)CC2)c1 1810522062 UHTSFUAOKUIMLF-UHFFFAOYSA-N 478.643 5.005 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)[C@H]2c2cccnc2)C1 1811139617 PNGQBHVRLYFKGB-DYESRHJHSA-N 477.914 5.040 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)CCC#N)[C@H]2c2cccnc2)cc(C(C)(C)C)c1 1811412372 JSKRAEDEQZOLJB-RLWLMLJZSA-N 474.649 5.300 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811417908 KQIHDNLCCBFPHE-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1811786841 KEGGYBDIGCCXEV-GBXCKJPGSA-N 496.995 5.040 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)c1 1811935661 DKKSAQWYEZBDPM-QJHSIXRFSA-N 484.644 5.188 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)[C@@H]2c2cccnc2)c1 1811945295 YBVHBCQKIHATAP-SAAIGDAKSA-N 498.602 5.160 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1812783244 BKDBECUHEJSIKO-OUXSMCDZSA-N 486.660 5.198 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3[nH]c4c(Cl)cccc4c3C)[nH]n2)C1 1814394136 DPTXNJXMFFLJNF-LJQANCHMSA-N 451.958 5.125 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1)c1ccc(O)cc1 1815573290 RTCOYQQHIKBEDQ-GHTZIAJQSA-N 490.526 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N3CCCC3)c(F)c2)n[nH]1 1820194206 RPAKJZWTISAWSW-HYBUGGRVSA-N 479.600 5.223 30 20 JKED CCSc1cccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1820399960 NTVZDSHWGPIRHZ-UWJYYQICSA-N 488.617 5.163 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)c1 1821325793 CSORKLUUFPGREO-HXUWFJFHSA-N 483.906 5.141 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)C3(C#N)CCC3)CC4)ccc21 1821425065 SLUAHHQNOPXKFS-SFHVURJKSA-N 497.624 5.191 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821609267 CHTDYGCQZGFRKE-RDPSFJRHSA-N 476.602 5.569 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)[nH]n1 1821920958 AVNCUWSVITYMKQ-RBZFPXEDSA-N 487.938 5.408 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)[nH]n1)C(F)(F)F 1821989570 NPGDAHVJXWUAHR-PAXLWEDBSA-N 462.516 5.350 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2C)[nH]n1 1822393231 NRCFGWMUYZJXSB-LJQANCHMSA-N 491.817 5.243 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccccc3)[nH]n2)cc1C#N 1823295041 XJTNWCLTEVYFLI-OYRHQHFDSA-N 497.599 5.178 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)[nH]n3)c[nH]c2c1 1823567738 DHMDXVSIEBEEQF-DWOOMVRVSA-N 478.556 5.090 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1823685781 HAWUQCJJQGTQJU-QHCPKHFHSA-N 499.989 5.356 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCN(c4ccccc4)CC3)CC2)c1 1824129376 GKWSYXNFCPCNHW-LJAQVGFWSA-N 498.671 5.017 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1C 1824803789 WIHIPLPNGWXTFR-AREMUKBSSA-N 496.768 5.217 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccncc2)CC1 1825254719 WEOPVDZAIVUASR-AREMUKBSSA-N 481.757 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1829066484 GIFMPUXTFULTIN-DEOSSOPVSA-N 471.592 5.672 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c(Cl)c1 1829446372 IWKKJKNYIOBSGT-HXUWFJFHSA-N 476.429 5.474 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2C)CC1 1829696834 ZMFSNZCNGPHOFH-QHCPKHFHSA-N 491.445 5.324 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3O)CC2)c(Cl)c1 1830723003 UHWVUQNFRCSQEJ-HSZRJFAPSA-N 491.975 5.211 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1830899150 ICANBQHFQHHMSQ-SANMLTNESA-N 492.736 5.100 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)cc1 1830990944 NBZUQFTXLPRBOH-VWLOTQADSA-N 455.558 5.046 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1831714627 HDWOUKSLBQJSRP-IDISGSTGSA-N 487.644 5.107 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831851749 VMZBSGMFOMOPMC-HHHXNRCGSA-N 481.640 5.643 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c1 1832633828 OCLSWFHHTIWJCP-BVZFJXPGSA-N 465.544 5.139 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832713366 NTPCESPTMFWDGH-JOCHJYFZSA-N 466.519 5.271 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)CC2)cc1C#N 1832900370 NBBKOBZKVXYBPZ-AMGIVPHBSA-N 487.644 5.382 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CSc3c(C)cccc3C)CC2)CC1 1838422683 GCHTYEQTNUAZEK-UHFFFAOYSA-N 486.722 5.387 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Oc4ccccc4)cc2)C3)c(Cl)c1 1845488687 OWVANYBTFIISOY-UHFFFAOYSA-N 471.944 5.135 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1 1847532492 VTAWCYPCRFHXPI-SFTDATJTSA-N 465.421 5.364 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570813 FKFFEGYPVSGTTO-XDHUDOTRSA-N 468.026 5.047 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)cc1 10173437 VBBGPGFKKAFJGD-UHFFFAOYSA-O 453.587 5.960 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2ccccc2CC)c1C 10173620 XAXUNEITVAUHPZ-UHFFFAOYSA-O 478.638 5.271 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Cl)c2)cc1 10831192 OOIBSYAHQDOHCM-UHFFFAOYSA-O 451.015 5.233 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1Cl 20412988 QGQSQSVLFSGXHD-HNNXBMFYSA-N 491.444 5.806 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1ccoc1C 22164949 ZNHPASNZCHIXQQ-UHFFFAOYSA-N 458.341 5.137 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1cc(F)ccc1F 22695195 LRRYJZRCVFBWNM-UHFFFAOYSA-O 454.305 5.316 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1CC 26581243 AHTAHQCKPUFZME-KRWDZBQOSA-N 463.628 5.327 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 33197112 PWKSAQLENUFPIU-ZIAGYGMSSA-N 488.407 5.441 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 71938001 LDKLYQUCQSAURF-UHFFFAOYSA-N 475.523 5.394 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 108057220 CTZBMJVLNUJREU-UHFFFAOYSA-N 493.032 5.182 30 20 JKED N#CCCCOc1cccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)c1 109137551 JJWPAXDEXWNKDS-UHFFFAOYSA-N 460.559 5.209 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1ccccc1F 218264058 WATPPVDLICYSCE-UHFFFAOYSA-N 461.444 5.631 30 20 JKED CC(C)n1ncc2c(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)cc(-c3ccco3)nc21 248008564 QLQVVAPWRAGVSS-UHFFFAOYSA-N 452.436 5.073 30 20 JKED C=C(C)COc1cccc(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)c1 303121711 ACGQKPRIDFVPSY-UHFFFAOYSA-N 455.605 5.103 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 303341059 LNXZDCPQHNYEIH-AWEZNQCLSA-N 460.386 6.614 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc2ccccc12 481421961 ORMSRRFQBUNEQM-GOSISDBHSA-N 467.500 5.245 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 497989480 APYHOGPUPYFWLS-HNNXBMFYSA-N 472.467 5.261 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 500437082 CBWXIDIMSOUBRP-UHFFFAOYSA-N 480.373 5.016 30 20 JKED COc1cccc(Oc2ccc(NC(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)cc2)c1 501143651 OPVDAVDXRIWOAJ-UHFFFAOYSA-N 479.540 5.261 30 20 JKED Cc1nc(C)c(C#N)c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)n1 501668396 XLRHUMYANPZSAC-UHFFFAOYSA-N 450.376 5.126 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)Cc2ccco2)c(OC)c1 502543526 AHAFAUODQAFUKD-UHFFFAOYSA-N 457.530 5.320 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 505530925 WRWDGVQARKBDJA-IFMALSPDSA-N 452.501 6.155 30 20 JKED C=CCN(C(=O)c1cc(F)ccc1I)c1nc(-c2ccccc2)cs1 508894857 GRSSXJYTAQNSHC-UHFFFAOYSA-N 464.303 5.387 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 509658852 QBKAWGSYPBSQRD-UHFFFAOYSA-N 469.522 5.404 30 20 JKED CCOc1ccc(CN2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 509902479 QINBCFWUALLQAG-UHFFFAOYSA-N 484.600 5.080 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2n1C(F)F 510022158 BUPWHDUCDVWJQO-BEFAXECRSA-N 479.918 6.623 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(Cc1cccc(F)c1)C(C)(C)C 510184760 JAKHGWISZLGZMC-UHFFFAOYSA-N 452.599 5.113 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)CC1 512612594 HGFHMYJQZAJMNK-VWLOTQADSA-N 494.595 5.903 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H](C)c1cc2ccccc2o1 516265694 PCCRCPKSOSBRQK-HNNXBMFYSA-N 473.451 5.184 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1ccccc1Br 516837824 LVYRMSNEQYMZIZ-INIZCTEOSA-N 450.336 5.861 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 518591192 WJWRVGALLAGDHE-INIZCTEOSA-N 465.456 5.076 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)c1ccccc1Br 518673275 WUAOGCGTIBDICV-DLBZAZTESA-N 488.451 5.639 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 520814038 ZHCHTJCTVFQPEY-KRWDZBQOSA-N 488.613 6.418 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)c1 520915511 XANYVGFOBUGMIU-HXUWFJFHSA-N 459.933 5.495 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 521287979 KQIAPRJZJLSGRY-UHFFFAOYSA-N 496.489 5.427 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccccc4C)c4c3CCC4)n2)cc1 521325671 XVDUUZIKFXAQLV-HXUWFJFHSA-N 454.555 5.292 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)oc3ccccc23)s1 521796774 GQBDGJSQPWXBAD-AWEZNQCLSA-N 480.640 6.532 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 522197667 AETAFXKSGACKQA-UHFFFAOYSA-N 496.380 6.287 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)CC2)c1 522872920 HRWBRCYRTBGARM-UHFFFAOYSA-N 499.518 5.583 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc(C)nc21 587988808 RLFHTYPDNTVWNG-WFASDCNBSA-N 457.481 5.829 30 20 JKED CC(C)c1ccccc1-n1c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1cccnc1 589715532 WFLNASOENTVZTR-DEOSSOPVSA-N 480.597 5.222 30 20 JKED COc1ccc(CSc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCC4)s2)cc1 589942645 BASSCPXJYDJZFS-UHFFFAOYSA-N 488.685 5.382 30 20 JKED COc1ccc([C@H](NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2ccccc2)cc1 603829344 KCUCQZBUOSHBIO-JOCHJYFZSA-N 487.610 5.622 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCCN(c2ccccc2C#N)CC1 603896460 RRULVMZWTONPSM-UHFFFAOYSA-N 460.581 5.363 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604211584 UBOGJKHWHFXQHT-CQSZACIVSA-N 469.328 5.210 30 20 JKED CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1)[C@H](C)c1ccc(C#N)cc1 604448105 MQWISRWPNXEZJJ-GOSISDBHSA-N 450.546 5.096 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)c2)cc1 604475112 QYIVJFJEPGWXSE-SANMLTNESA-N 468.601 5.365 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 604534389 OKWMKGKVVOXTMR-UHFFFAOYSA-N 498.530 5.500 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3oc4ccccc4c3CSC3CCCCC3)CC2)nc1 608951632 QHCTWXYLMIGZTR-UHFFFAOYSA-N 474.630 5.664 30 20 JKED COc1ccc(C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2)cc1OC 609060504 CSFODNCANKIFGJ-VWLOTQADSA-N 482.536 5.461 30 20 JKED C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cn2)C[C@@H](C)O1 609063299 XOVJQJNTYKORQW-QZTJIDSGSA-N 476.964 5.052 30 20 JKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 609069103 CRYQLIVHQPNPQQ-UHFFFAOYSA-N 465.553 5.389 30 20 JKED COc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080095 SRUOYORVUPQVLZ-OAQYLSRUSA-N 463.921 5.445 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2)c1ccccc1 609156569 VXYJUMXRDWMYRC-UHFFFAOYSA-N 470.617 5.733 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 609378453 JIZLAUSRELDYPL-UHFFFAOYSA-N 467.900 5.744 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 609427488 DQKTWAGBNRXSLW-MRXNPFEDSA-N 494.414 6.348 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 609438577 NJFMOWYXCJBPSH-INIZCTEOSA-N 486.435 5.020 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 611995307 LUESGPLXQGTKJS-OAQYLSRUSA-N 477.586 5.395 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404634 PBCAFTCUUBHJBP-LBPRGKRZSA-N 465.522 6.160 30 20 JKED COc1cc(OC)c2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)[nH]c2c1OC 613404887 QAIISZPUMDUHOY-GFCCVEGCSA-N 475.448 5.312 30 20 JKED O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539162 VSZGXGHUFLSOPG-VXGBXAGGSA-N 455.399 5.468 30 20 JKED O=C(Nc1ccccc1SCC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540783 XTVMRRSHLNEEGF-AOOOYVTPSA-N 454.358 5.936 30 20 JKED O=C(N[C@H](c1cc(F)ccc1F)C(F)F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 622566692 VJHHKBKVXCMRCC-MRXNPFEDSA-N 483.815 5.371 30 20 JKED C=CCOc1ccccc1CN(C(=O)Cc1ccc(C(C)=O)cc1)c1ccc2c(c1)OCCO2 643120314 WJHYPLFEPUEMBW-UHFFFAOYSA-N 457.526 5.001 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nc(N)c2c(C)c(C)sc2n1 669007275 RXFRKNINRDDWKF-CQSZACIVSA-N 470.599 5.239 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1Sc1ncnc2sc3c(c12)CCCC3 669672618 CKBYWASMAHCIEN-UHFFFAOYSA-N 453.568 5.217 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)n2)c1 726147652 CCSUWFWICXCGES-UHFFFAOYSA-N 495.910 5.387 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 726401602 UDTZQQVIKOHKCH-KXBFYZLASA-N 479.524 5.091 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Br)c2)[n+]2ccc3c(c2)CCCC3)c1 726573477 FZDWLNPKQWPNTQ-UHFFFAOYSA-O 490.446 5.920 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c12 727919774 VOWQHUDLVUEROE-UHFFFAOYSA-N 482.496 5.514 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 728053271 ZFJJAEDEFAIUSJ-UHFFFAOYSA-N 471.504 5.951 30 20 JKED Cc1cc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c(C)n1-c1ccc(C#N)cc1 728267114 CCRWFVGXJKOWRR-FQEVSTJZSA-N 450.542 5.431 30 20 JKED N#Cc1ccc(SCC(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 728675855 VTVAXHOLYVJTHC-QFIPXVFZSA-N 481.917 5.135 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(NC(C)=O)c1 729634997 YZUABYPDQCKWMJ-JOCHJYFZSA-N 466.607 5.042 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1 729892560 BVNSXPLQFNQHBQ-VXKWHMMOSA-N 486.597 5.904 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(C)C)c1 730442412 ITUXPBJIYUGNNF-DEOSSOPVSA-N 490.629 5.618 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 730936515 HJOBAHNBSDZLCA-UHFFFAOYSA-N 485.009 5.236 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 730942927 ZJCNJCNWDWAHKO-YCRPNKLZSA-N 466.513 5.081 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944772 FZUUDYBBCFVOLV-CPJSRVTESA-N 486.641 5.604 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1N(C)C(=O)c1cccs1 731066446 NNUFUJQRUFYOJX-KRWDZBQOSA-N 493.610 5.072 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCCC1 731068507 FVTGUJCDIPJZEZ-QGZVFWFLSA-N 456.995 5.585 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cncc(-c2cnn(C)c2)c1 731163558 LMBHZEVAUVHQOC-DEOSSOPVSA-N 498.568 5.317 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731303771 AWJUZZOCUBGZOR-BVZFJXPGSA-N 496.592 5.662 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304489 QRRVZIDDFWPJHU-HSZRJFAPSA-N 491.613 5.321 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1 731307223 GAPNRSDOEMPZBQ-XMMPIXPASA-N 495.645 5.319 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)cc2)c1 731331638 MOFATJYKVLKXJK-UHFFFAOYSA-N 462.596 6.237 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)Cn1ccc(=O)c2ccccc21 743827520 IECZQHCXCBKXLQ-VWLOTQADSA-N 498.564 5.223 30 20 JKED N#Cc1ccc(CNC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)cc1 746533062 OLUOMMJPYPLSIH-RCCKNPSSSA-N 477.520 5.050 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 747803087 HKJVLLLLYGYRSM-GMAHTHKFSA-N 469.054 5.978 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3scnc3c2)c1 751201373 MLGHPCYUSMLFFO-UHFFFAOYSA-N 484.002 5.583 30 20 JKED COc1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)cs2)cc1 767034156 SOCOVZHXPBXWFL-UHFFFAOYSA-N 462.387 5.555 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2C)cc1 838039910 GQRCTIUWFROGAC-HSZRJFAPSA-N 477.561 5.303 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2OC)c1 838483652 AGECRTCEQUTQJP-HSZRJFAPSA-N 493.560 5.003 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1=Cc2ccccc2O[C@@H]1C(F)(F)F 883977553 MVORNLPRXMPZKV-YFCNSXCBSA-N 461.324 5.419 30 20 JKED CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(COc4ccccc4C#N)o3)n2)CCCC1 904416655 UCEIYZLLPJEWRY-UHFFFAOYSA-N 450.495 5.074 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1nc(-c2ccccc2)cs1 913202897 DOHSNDQNXGVEDK-LJQANCHMSA-N 496.621 5.853 30 20 JKED CCOc1cc(CNCc2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1 915680833 DDGBPCIFMRSGRY-UHFFFAOYSA-N 451.364 5.588 30 20 JKED Cc1sc2ncn(N=Cc3cccc(OCc4cccc(C#N)c4)c3)c(=O)c2c1-c1ccccc1 915944022 BXWIZVSWTUGWOB-UHFFFAOYSA-N 476.561 5.766 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 916211618 QGAWIOPHTIQVNZ-LJQANCHMSA-N 497.514 5.231 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(F)cc2)cc1 916212556 XVGAPUOZDVUGCV-JOCHJYFZSA-N 499.514 5.273 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(F)(F)F)c1 916217896 YCCHHTAFTJLNNS-IBGZPJMESA-N 477.508 5.278 30 20 JKED Cc1nc2ccccc2c(=O)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 916293087 XRDCBTPZEXBZNM-UHFFFAOYSA-N 451.313 5.146 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)n1 916847290 OIPVBJYDQVDSDT-KRWDZBQOSA-N 492.651 5.823 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1[C@@H](C)c1ccccc1 916887139 LBPCGNHBMOGYQM-KSFYIVLOSA-N 467.541 5.990 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCSc1ccccc1Br 916908036 OYYHYBQPROKSIB-QGZVFWFLSA-N 459.409 5.404 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)o1 916954105 ZGODTDRVNQZKCR-UHFFFAOYSA-N 483.436 5.110 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)C2)cc1 916995719 GKOWGQXGGXLPOV-XLIONFOSSA-N 498.435 6.154 30 20 JKED N#C[C@H](C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3)c1nc(-c2ccccc2)cs1 917025244 IZTVURLLFNHOHE-MRXNPFEDSA-N 492.651 5.509 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)ccc1Cl 917525142 NBJOLCZPEMQRJJ-UHFFFAOYSA-N 491.034 5.064 30 20 JKED C=CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 918556285 MDFUSMURTNDBDN-UHFFFAOYSA-N 493.328 6.075 30 20 JKED C[C@@H](OC(=O)c1csc(-c2cc(Br)cs2)n1)C(=O)N(CCC#N)c1ccccc1 919632634 UCMQJIGUDJZGFO-CYBMUJFWSA-N 490.404 5.126 30 20 JKED N#CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 920002153 AAQXWYLBGNEQCZ-UHFFFAOYSA-N 457.383 5.251 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(C)c(C)c2)no1 920351573 AYZFKMLRLHCEKW-OAQYLSRUSA-N 482.993 5.414 30 20 JKED CCCCCCn1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc2c1=O 920806262 JJBZIBNUNCADCG-SFHVURJKSA-N 492.551 5.869 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(N2CCOCC2)cc1 920872471 UGFBDQHLJAGMDT-NRFANRHFSA-N 470.573 5.051 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)NC1(C#N)CCCCC1 921224343 OIYPMTIZOBZPDP-GFCCVEGCSA-N 452.363 5.005 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(Cl)cc1Cl)C2 1779274266 QYLAQXIVNWVTPN-POGFHVCPSA-N 493.475 5.208 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)ccc4OC(C)=O)CCC3)cc2)C1 1785808568 NSQSIVJZLRZLNV-UHFFFAOYSA-N 497.389 5.088 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnccn5)c4)CCC3)cc2)cc1 1785883017 UHLCYBMDFYJOKC-UHFFFAOYSA-N 487.563 5.006 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)CCC2)cc1 1786393645 JGCUWAMNFPMDJH-DEOSSOPVSA-N 487.629 5.032 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C)o3)cc2)CCC1)c1ccc(O)cc1 1786493013 RTGVZHQNRULLIM-OAQYLSRUSA-N 456.542 5.239 30 20 JKED CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cn1 1787258115 SVJRUKBUDJFKSB-IBGZPJMESA-N 452.558 5.333 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)nc4)cc3)CCC2)ccc1F 1787427090 XVUSQIHLNWNWRE-UHFFFAOYSA-N 496.464 5.102 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)F)no4)cc3)CCC2)c1Cl 1788308122 LULQMFJITZFOET-UHFFFAOYSA-N 470.863 5.199 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CSC3CCCC3)CCC2)cc1 1788649678 VPVWWPLYVXSGKO-OUKQBFOZSA-N 468.644 5.297 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789513378 WVAPQGYXAOMRSI-KNQAVFIVSA-N 469.626 5.122 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)CCC1 1789705260 MWCGDZWTVLOPGQ-UHFFFAOYSA-N 462.377 5.119 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCSC4)CCC3)cc2)c1Cl 1790084014 RSMPEJNXRNUDCU-QGZVFWFLSA-N 453.995 5.103 30 20 JKED CC(C)n1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)n1 1790164100 AAYYSTIPRIVZJB-UHFFFAOYSA-N 464.686 5.263 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4s3)CCC2)cc1 1790567100 HCZXQOBHUCZXIJ-MRXNPFEDSA-N 467.566 5.589 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)CCC1 1790691710 COENPXGYIJCVSW-JOCHJYFZSA-N 486.616 5.643 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5ncccc45)cc3)CCC2)c(Cl)c1 1790902495 SUSZODYOVOANHA-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4CC[C@@H]3N(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791249361 RAFOXKALAVVZOI-CHOVIJNXSA-N 495.664 5.368 30 20 JKED CC(C)CCC(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791257573 FWTKTNFNOOFEFR-UHFFFAOYSA-N 496.652 5.098 30 20 JKED COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)c1 1791577702 RCFZFIAAORLGFL-INIZCTEOSA-N 499.633 5.108 30 20 JKED COc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1F 1792123634 ACWPMWUABCSZPQ-GOSISDBHSA-N 471.532 5.523 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)c1 1792124716 FBMWTFDXFUWPDT-KRWDZBQOSA-N 468.582 5.918 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)cc2)CCC1 1792332644 ADHMUJCQQQGQNX-IBGZPJMESA-N 479.568 5.025 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cc(Cl)ccc2Cl)C3)c1 1792940781 XEWFXCFHXJTPRV-NUNAXRQHSA-N 484.427 5.069 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(-c2ccccc2)n1 1797001627 HBNKQXUUTXQVOJ-BKFWDETESA-N 473.693 5.052 30 20 JKED CC(C)(C)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(C#N)c1)C2 1801830361 HDNVCRBSMHIFHZ-WKCHPHFGSA-N 488.470 5.569 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)[C@H]1c1cccnc1 1802500352 MWULYRJUDDEHIY-RDPSFJRHSA-N 494.039 5.003 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(F)c2)[C@H]1c1cccnc1 1803082051 NFCKLPGSBKBHOO-YWEHKCAJSA-N 498.602 5.371 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Cl)cc3OC)CC2)C1 1804866527 DWWICNUPMJEOLI-UHFFFAOYSA-N 461.046 5.115 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC2(CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)CC1 1805610931 LWPSPEZEXDYWLH-PKTZIBPZSA-N 496.985 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)Cc3cc(F)ccc3Br)C2)CC1 1806565755 YAWXCBCNSXHBLK-UHFFFAOYSA-N 491.445 5.130 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1810173563 JIQXQZJWGNUIMP-HFLBTKGNSA-N 469.629 5.053 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1813046110 OKXPAQJVFFGIMK-MBSOTRTCSA-N 471.645 5.337 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1813943337 JLCVYJDECZDYKL-HTAPYJJXSA-N 475.967 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813973240 QXMLELTZJVFLBK-VGOFRKELSA-N 492.422 5.840 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814371779 DLHRIIFRBPYYNW-GCJKJVERSA-N 465.985 5.619 30 20 JKED Cc1c(Cl)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1814598041 BFKLTJJDZSPZFZ-VYENPZKTSA-N 482.993 5.178 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(F)c(F)c3)n[nH]2)c(Cl)c1 1814663880 XKWBDTXUPTYYQD-QFIPXVFZSA-N 497.933 5.152 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCC(C(F)(F)F)CC3)n[nH]2)c1 1815524919 FPYISQIZSMVQLQ-CNBHCMJISA-N 487.526 5.264 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2ccncc2)n[nH]1)c1ccccc1 1815940893 BJPWFLKEYNFXGB-AOYPEHQESA-N 483.616 5.017 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)cc1C#N 1817497495 APQHLYOWLDGBBF-XBFAEUMISA-N 489.601 5.149 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817739926 DYGAXIWOQOANQB-NTKDMRAZSA-N 457.578 5.298 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)[nH]c2c(Cl)cccc12 1817946480 YYRVHKLYPDABFX-OAQYLSRUSA-N 486.963 5.344 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSC2CCCC2)[nH]n1 1819384816 ZIRMJTHZKZUDHP-NRFANRHFSA-N 474.747 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccccc4)no3)n[nH]2)c1 1819799574 LVSXSZZCCBGAFI-HOYKHHGWSA-N 494.555 5.311 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2noc(-c3ccccc3)n2)n[nH]1 1820674029 QWRXOQYXNFUMOM-NRFANRHFSA-N 490.608 5.077 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c1 1821038678 JOXNLYHYXKDIMP-JOCHJYFZSA-N 479.943 5.013 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821178184 MMOKRKDFIJRDPY-QHCPKHFHSA-N 494.555 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(OCC3CC3)c2)n[nH]1 1821233103 BNCKPBBRYXHENL-FYYLOGMGSA-N 492.620 5.281 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ncccc34)[nH]n2)c(Cl)c1 1821277791 IRCLWKRBRXFOFX-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[nH]n1 1822397413 DLXXWEQIAUPQOI-FQEVSTJZSA-N 483.494 5.373 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1822582648 QBSKHBKVEQLQGZ-QHCPKHFHSA-N 483.572 5.651 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)CCCC4=O)[nH]n2)c1 1823215455 RZQIBZDLUMDRBS-CJAUYULYSA-N 495.583 5.175 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823217042 GNULVBICBPARCU-JPYJTQIMSA-N 471.561 5.055 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)c3cccs3)[nH]n2)cc1C#N 1823295012 WYBNCGJCNXQHMS-LAUBAEHRSA-N 491.617 5.240 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)ccc2[nH]1 1823684734 DAYKUQKWSWBPLG-MUUNZHRXSA-N 482.628 5.214 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823686136 OMLZNHPNAWJHSN-SANMLTNESA-N 494.035 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn3c(Cl)cccc3n2)CC1 1823752750 YHTSNRFTOAAWNR-OAQYLSRUSA-N 471.045 5.213 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824637251 GMNHVSDPVSNXDC-HLJPNSHOSA-N 454.577 5.331 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1824958771 FHKFCYJTFBAAEU-JOCHJYFZSA-N 472.054 5.041 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1824960960 BCQKMIWBPQRCBA-LJQANCHMSA-N 473.441 5.285 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2sccc2Cl)CC3)c1 1827699503 QWSXHDSJUIHZTA-WFASDCNBSA-N 471.007 5.025 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1)c1ccc(O)cc1 1827985778 CSZLIQGMZBDQIP-GGAORHGYSA-N 483.008 5.069 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827990996 BUMSMPQSLXKFJY-DEOSSOPVSA-N 480.008 5.174 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)cc1 1828257394 IEAPMPZQAPAEKT-VWLOTQADSA-N 455.558 5.046 30 20 JKED CCOc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828907231 ZZPYLXKCEJRLSO-RUZDIDTESA-N 482.741 5.370 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829010960 KOLBTOACTXBGAR-AQRMJPPUSA-N 473.617 5.552 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2nc(C)sc2C)CC1)c1ccccc1 1829029490 BMWRUZBLUGGYRV-VPUSJEBWSA-N 491.701 5.119 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)CCC1 1829648679 ZONTVJQINBLDOI-SFHVURJKSA-N 499.936 5.425 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2Cl)CC1 1830531112 FTGQLWNADUSQEQ-IBGZPJMESA-N 498.824 5.025 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536552 VZDSSUPBJBMGMZ-SFHVURJKSA-N 496.467 5.810 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721537 HZRBDSCRTHWOFZ-VWLOTQADSA-N 498.143 5.496 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)C1 1830730532 IJKGYJNYRYYEBQ-FQEVSTJZSA-N 453.385 5.332 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1830828737 ZKTVXBGSOUDTKP-CHZKFRDHSA-N 489.664 5.274 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1831372756 JKZYAOYTBJKKOX-KKSFZXQISA-N 476.543 5.027 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832550100 MDBQDYNUPXACIA-CJFMBICVSA-N 461.581 5.308 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ncc[nH]4)cc3)CC2)c1 1832680222 HSDYJMLGSTWUPX-JIPXPUAJSA-N 495.627 5.251 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832985258 JZYYWYOSDHEOBM-QPTSNOEKSA-N 495.667 5.232 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)C2(c4ccc(Cl)c(Cl)c4)CC2)C3)c1Cl 1844736300 NHLNGMZVWMGXLR-UHFFFAOYSA-N 488.802 5.067 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 8649349 FJERGGTXJXVYGE-GKVSMKOHSA-N 480.659 5.155 30 20 JKED CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC(=O)Nc1sccc1C#N 9747011 AKDURSJLAOVBQR-UHFFFAOYSA-N 465.556 5.048 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CSc2nc(C)cc(C)c2C#N)cs1 10266849 SHVMUXUXVSIVFS-UHFFFAOYSA-N 462.522 6.022 30 20 JKED C=CCn1c(SCCC(=O)Nc2cc(C)on2)nc2sc(-c3ccccc3)c(C)c2c1=O 10374528 BPSMAPLPQLONCQ-UHFFFAOYSA-N 466.588 5.037 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 10753823 IGOIEGZWNVHLKY-UHFFFAOYSA-O 470.760 5.830 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10756424 JSFODWNRRIXOHI-UHFFFAOYSA-O 492.821 6.142 30 20 JKED CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)nnc1-c1cccs1 14062549 GNYKRPAWTMRULQ-UHFFFAOYSA-N 457.650 5.349 30 20 JKED Cc1ccccc1-c1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c2cnn(C(C)C)c2n1 14362328 DAQLZSXGNJNOCC-SFHVURJKSA-N 467.529 5.043 30 20 JKED C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1nc(-c2ccccc2)cs1 14723877 SLNABZQJRCEPPF-UHFFFAOYSA-N 488.034 5.081 30 20 JKED COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(OCc4ccccc4)cc3)NC2=O)cc1Cl 15231824 RSDPYVPCSWTSMJ-JOCHJYFZSA-N 495.988 5.176 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1C 15247988 VIELRTXKBUZDHZ-UHFFFAOYSA-O 473.449 6.015 30 20 JKED C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nc2sc(-c3ccccc3)c(C)c2c1=O 17131735 WFGGVBLQPRJLKN-UHFFFAOYSA-N 486.622 5.228 30 20 JKED CC(C)n1ncc2c(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(C3CC3)nc21 18598684 ZGQFJKBPYPNOIU-OAHLLOKOSA-N 491.617 5.276 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccc(Cl)cc1 18771101 KVKRSSYUKQXJJQ-UHFFFAOYSA-N 454.983 5.498 30 20 JKED Cc1cc(C)c(NC(=O)COC(=O)[C@H](C)Sc2cc(C)c(C#N)c3nc4ccccc4n23)c(C)c1 21087861 FIDOBRPNJRWBRU-IBGZPJMESA-N 486.597 5.255 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 22716596 IJEVEFZRSAUZEV-HUUCEWRRSA-N 489.414 5.391 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1csc(COc2ccc(C)cc2)n1 24466346 YWBSXOSCLORTHV-UHFFFAOYSA-N 487.375 5.212 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(Br)c3)no2)nnc1-c1ccoc1C 27129234 GKYMYVDVXPWZLO-UHFFFAOYSA-N 458.341 5.137 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2ccc(C(F)(F)F)cc2)c1 29254694 UWWIPUZBUAXTMK-UHFFFAOYSA-N 483.515 5.280 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 32787493 VLJGFCXPJITYSL-CVEARBPZSA-N 475.445 5.720 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(F)cc3I)cc2)c1 78719930 ZBWUICKFQVKAJA-UHFFFAOYSA-N 458.230 5.347 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 78720121 SJGHBVXTBXEHMD-GOSISDBHSA-N 458.612 6.273 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)s2)cc1 105314435 HZTWZRDJWVMTMK-UHFFFAOYSA-N 488.623 5.259 30 20 JKED C=CCN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc(C(=O)OCC)cs1 409818947 YFGNWWXDHSYPPH-UHFFFAOYSA-N 477.561 5.759 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCSCC3)cc2C)cc1C 497424041 ARVXIKWJPRZVPY-UHFFFAOYSA-N 459.619 5.195 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1 498522451 DKIDTRDVBCRLEN-UHFFFAOYSA-N 484.625 6.511 30 20 JKED CC(C)Oc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c(F)c1 499610596 VULIOYNXXLXKTF-UHFFFAOYSA-N 475.364 6.089 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 507841209 LZKOEVDVHOLUAL-AWEZNQCLSA-N 466.881 5.360 30 20 JKED CCN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)[C@H](C)c1ccc(C#N)cc1 509562781 ZVVXQIXZRFTYMO-MRXNPFEDSA-N 450.336 5.731 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 510668617 RQUGCEJFVXBLNE-UHFFFAOYSA-N 456.546 5.099 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 511351297 BGARGAQWGBHGGP-UHFFFAOYSA-N 454.574 5.249 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2sc3c(c2c1=O)CCC3 514516363 SUZGDZQWRSXDHC-UHFFFAOYSA-N 460.024 5.134 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)CC2CCC2)cc1Cl 516303002 USZQMLJGBJOXSA-VWLOTQADSA-N 471.988 5.763 30 20 JKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccccc1Br 517722386 XOSYBJCXINNWMN-MRXNPFEDSA-N 450.336 5.339 30 20 JKED C=CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccccc2)cs1 518174147 ZHZFWZLZHWPOTJ-UHFFFAOYSA-N 464.978 6.055 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 519413453 WQJOSETUJAEJHC-HNNXBMFYSA-N 488.038 5.030 30 20 JKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1SC[C@@H](C)C#N 519448743 KREFNRJWRYFQJD-HNNXBMFYSA-N 464.404 6.282 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 519913119 HZBNESUHIVDRIW-INIZCTEOSA-N 466.463 6.054 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1C 519943850 FOAPOSUNWZIYIF-UHFFFAOYSA-N 481.531 5.724 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c(C)c1 520005688 SPGXGBWUKJUBLJ-UHFFFAOYSA-N 481.552 5.027 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc(-c5c(F)cccc5F)cs4)cc3)o2)c1 520432134 OYEHENQTDWFPQJ-LJQANCHMSA-N 498.514 6.604 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 520441618 NKFRICOBKFEGFI-UHFFFAOYSA-N 494.595 5.165 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 520815066 VLLIPARDISTRRC-AWEZNQCLSA-N 455.634 5.467 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1Cl 523378865 GSYYUFOITZUZNJ-QGZVFWFLSA-N 499.855 5.986 30 20 JKED COc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 524405363 OEAJVAQFOKVCAT-UHFFFAOYSA-N 458.514 5.065 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 524565715 FJKLAZAGVARAHM-RBUKOAKNSA-N 490.604 6.141 30 20 JKED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 564662037 LTMUYDMSLRXWJO-RBUKOAKNSA-N 473.019 5.190 30 20 JKED Cc1ccc(-n2cnnc2SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1Cl 590612333 UEJOMUFEWNEHRJ-UHFFFAOYSA-N 495.008 5.281 30 20 JKED Cc1nc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1C#N 603563366 HKWXNYXGAYZCJD-MRXNPFEDSA-N 473.385 5.518 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1 603651014 XBOZOVQASBXQHL-UHFFFAOYSA-N 455.949 5.923 30 20 JKED C=CCN(C(=O)c1cc2c(C)cc(C)nc2s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603835693 LVMVHRTYOCOKIW-UHFFFAOYSA-N 450.545 5.778 30 20 JKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603962195 KTPNNZCCWYZIRN-DEOSSOPVSA-N 467.956 6.016 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(Cl)cc1 609085092 KDUKNUOYQZVBCZ-HSZRJFAPSA-N 461.949 5.305 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 609401833 BBVOFALVLASURO-REWPJTCUSA-N 479.646 5.919 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N 609404535 DYHAUAGGXUCNQH-AWEZNQCLSA-N 485.034 5.594 30 20 JKED COc1cc(CCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)ccc1OCC(F)(F)F 609414686 ITGLHKNNBMNGAW-OAHLLOKOSA-N 461.267 5.257 30 20 JKED COc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346989 UMEUXXGZVCVSNY-MRXNPFEDSA-N 469.353 5.801 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 615508592 QRHUAZTUAQWVST-VWLOTQADSA-N 471.988 6.431 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)nnc1-c1ccc(Cl)cc1 617894487 FXZSITAQTVMUFS-HOCLYGCPSA-N 458.937 5.114 30 20 JKED Cc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)c(C)c1 622282565 BOIKBYNRGXUPJQ-INIZCTEOSA-N 460.584 5.506 30 20 JKED CCOc1ccc(N2C(=O)c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)cc1 642281545 IODXSYFKZJBORG-HSZRJFAPSA-N 493.544 5.499 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccccc1F 648079873 QQDZGUUAKPCRMO-MRXNPFEDSA-N 471.627 5.573 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 661982318 XDIVNLMBAHAYET-IBGZPJMESA-N 492.645 5.889 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1Cl 726321600 NFHRDTMTJZHWTM-AWEZNQCLSA-N 479.867 5.452 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC)c(F)c2)c1 726412289 QZLBZZPOAQHVJE-HSZRJFAPSA-N 493.560 5.003 30 20 JKED N#CCCCOc1cccc(/C=C2/SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)c1 726802265 YSOLQVRYRJEERY-HKOYGPOVSA-N 477.655 5.235 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CCCCC#N)C1=O 728778553 SNYKACYCXZKXNT-HXUWFJFHSA-N 470.982 5.003 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)c1 728779591 KCFRDPBYXHAUDT-VWLOTQADSA-N 480.593 5.475 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2oc3ccc(OC)cc3c2C)nc1 729144351 UTGVFWGUWVNAHP-UHFFFAOYSA-N 478.574 5.196 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730943992 PMBVZXVFXROAAC-YADARESESA-N 490.604 5.867 30 20 JKED Cc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1F 731311602 CRZZNOAWPHNCQT-QFIPXVFZSA-N 481.524 5.139 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccs1)c1cccs1 731313405 YVGGARBKKFBIKB-ZXRLFJNXSA-N 471.629 5.105 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O 745814684 OTNDRUBAINNSSE-RUZDIDTESA-N 498.608 5.380 30 20 JKED N#Cc1cccc(CNC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)c1 746531915 INZLHBFMKZVCFX-QNGOZBTKSA-N 477.520 5.050 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)cc1 746697644 ISXLYCZAXYJFFU-NRFANRHFSA-N 475.561 5.050 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747254062 HGEBUQAUKNSZEL-UHFFFAOYSA-N 492.409 5.457 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(N2CCCC2=O)ccc1F 749333092 SKHHSSTUZFUWOA-UHFFFAOYSA-N 464.310 5.074 30 20 JKED CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=NNc1ccccc1C(=O)O)c1ccccc1 812445426 QHDVAJUHBWIBID-NYULUDCUSA-N 471.601 5.568 30 20 JKED CC(=O)Nc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C)cc1 873856787 LWVBYAHBBZQWSO-XMMPIXPASA-N 486.597 5.114 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1 914546100 CRMBSYAVYPQELO-DEOSSOPVSA-N 491.588 5.441 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 915954120 MRLOTOQSLYYREK-UHFFFAOYSA-N 470.558 5.269 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)cc1OC 916137695 LGXYIHPDFDQFPN-WTKPLQERSA-N 499.922 5.419 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)cc1 916205673 JBPHUTKIFKRZSI-DENIHFKCSA-N 487.572 5.228 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2Cc2ccco2)cc1 916213108 YUCDUWWIVGQARN-HXUWFJFHSA-N 498.948 5.310 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2CC(C)C)cc1 916214848 PUDITSPJFUWDII-IBGZPJMESA-N 490.423 5.074 30 20 JKED COc1cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)ccc1OCc1ccc(F)cc1 916305952 DEGFJHBDKWYYBV-UHFFFAOYSA-N 454.457 5.197 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 916721107 WINKEVXTAQBKQT-RUZDIDTESA-N 471.557 5.250 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 916955517 REYOCMBRELIXCL-YCRPNKLZSA-N 479.378 5.418 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 916972721 QBOCZVLFKZNHOI-QGZVFWFLSA-N 466.975 5.791 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997819 YOAOMDXXBBFJOO-FXAWDEMLSA-N 470.381 5.598 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1nc2cc(C(F)(F)F)ccc2s1 917042821 HEUVHKZTQDJVOA-INIZCTEOSA-N 473.476 5.235 30 20 JKED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(-c2ccc(Cl)cc2)s1 917602430 FBUKVYQPUBNCGO-MWWKQMNYSA-N 481.426 5.483 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917876963 VQJXHLAAZHZSNZ-XMMPIXPASA-N 459.933 5.478 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 918033600 DMKASZSEZJSKJO-DFBJGRDBSA-N 489.417 5.753 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1C 918844398 OCELPFSEAXYGEV-UHFFFAOYSA-N 469.900 5.163 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(N4CCOC4=O)c3)cc2Cl)cc1 919653336 TYXWFGFEZXIDCA-UHFFFAOYSA-N 462.893 5.282 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(F)cc3Br)n2)cc1 920138843 KXLWIFAMLZBRON-BLLLJJGKSA-N 475.339 5.364 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 920356732 UPUAKNJFFQVBQC-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cc(C)on3)C2=O)c1 920357810 WOIFXGIXTCHIQX-OAQYLSRUSA-N 482.993 5.414 30 20 JKED N#C[C@H](C(=O)Cc1csc(Cc2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 920806980 VDOOMLYJYQZQTP-MRXNPFEDSA-N 451.523 5.555 30 20 JKED CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C(C)C)c1 920892314 KTZBUKSOMQIZES-AREMUKBSSA-N 486.572 5.103 30 20 JKED C[C@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C(C)(C)C)cc1 920905582 TUIKHWHCWKPGLT-KRWDZBQOSA-N 474.517 5.098 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3c(ccc(Cl)c3Cl)C2=O)cs1 921138653 XFYYISWYRPSCRQ-JLHYYAGUSA-N 477.344 6.322 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)N(CCC#N)c1ccc(F)cc1 921219857 VMYWCWPEWJLUQO-ZDUSSCGKSA-N 492.359 5.748 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CCN4CCCC4)nc3)CCC2)cc1 1786103718 UYWKIWLFWMYRSM-UHFFFAOYSA-N 486.660 5.236 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)CCC2)cc1 1786363951 BVWFSIUPCOFMOS-UHFFFAOYSA-N 494.542 5.085 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CN4CCc5sccc5C4)cc3)CCC2)c1 1786730004 VRUZIKGWEQSVTL-FQEVSTJZSA-N 498.652 5.181 30 20 JKED CC(C)c1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)co1 1787028537 WHZRSXGXCOONOJ-SFHVURJKSA-N 456.546 5.487 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)cc2)CCC1 1788501658 MMVMDKWXBMOCLP-UHFFFAOYSA-N 493.991 5.387 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)cc2)CCC1 1789228593 MPNVUHGUFQQIQM-UHFFFAOYSA-N 455.530 5.113 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CCC1 1789288757 XKCJFFOPUJNTDH-UHFFFAOYSA-N 478.593 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCCNC(=O)OC(C)(C)C)CCC2)cc1 1789448492 AHSJTKXOLSYGCF-QHCPKHFHSA-N 483.653 5.584 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1 1790472603 LXGXOIBPINHNIE-XUZZJYLKSA-N 493.648 5.174 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)CCC1 1790672384 BPCYGHAVGKVJAW-HNNXBMFYSA-N 478.898 5.145 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)cc1 1790761928 KIJREGZMGUQGND-RPWUZVMVSA-N 483.543 5.257 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)C[C@@H]21 1790829303 ROWRZTBPVOAWDW-NGBOIDSZSA-N 498.623 5.438 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cncc3Cl)CCC2)cc1 1791296401 UWXPXAVCGHEFNC-UHFFFAOYSA-N 454.304 5.348 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(Cl)ccc3OC)CCC2)cc1 1791300159 DCQOWTYTPGSDNF-UHFFFAOYSA-N 462.924 5.237 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)CCC2)cc1 1791584339 ZCFPIGHTWFTBGA-IDISGSTGSA-N 457.618 5.053 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)cc2)C3)c1 1792942209 NOEDWZFSQDMJDS-OUOZDZGXSA-N 463.581 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C2 1798332211 JRBGKIANBHCOLM-XMTFNYHQSA-N 485.839 5.432 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1ccc(Br)cc1 1800027679 SGGROGKJUFSGMT-KGSLCBSSSA-N 489.454 5.015 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1 1800466290 UNCJQQSQPFMGEJ-MUJYYYPQSA-N 496.316 5.449 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1 1800630768 JHLWDXKRCZMVIU-BKFWDETESA-N 497.680 5.298 30 20 JKED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1802295973 NDKDLZLRRIFPAD-DQEVTTJGSA-N 468.585 5.323 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1802390911 TUKNFSGSSBLTCX-UHSQPCAPSA-N 486.660 5.198 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2F)[C@H]1c1cccnc1 1802494048 AYOSKQMZTCHFFE-RDPSFJRHSA-N 462.569 5.014 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1803115433 DZYZVTITLAEKTE-SQHAQQRYSA-N 463.597 5.018 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1806411549 XWWRBOFOEWVMLH-LMSSTIIKSA-N 467.613 5.252 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)CCCC(F)(F)F)C2)CC1)c1ccccc1 1806542632 MNQORFCHNOVLEU-JOCHJYFZSA-N 462.556 5.147 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1808743221 NEMFAKWRGZWCCM-RPLLCQBOSA-N 482.628 5.456 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)C1)c1ccccc1 1809159745 OLDYTCIJPLOLDR-VCSCMVORSA-N 492.685 5.548 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1810270831 AAKOZOMDJPWQOQ-AQHOXQCLSA-N 489.736 5.251 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(F)c3)C2)CC1 1810379234 OFONZRWPXPWHDT-UHFFFAOYSA-N 475.608 5.501 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1810491367 CPAVEQSEGIDGLA-GSDHBNRESA-N 461.650 5.520 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1810493084 VLVOLAFPKFTPIE-ODGPQVTHSA-N 465.663 5.261 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)cc1 1811832739 UWGWOQFBPZXWIP-URXFXBBRSA-N 493.394 5.088 30 20 JKED Cc1ccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4)[C@H]3c3cccnc3)sc2c1 1812221758 VMYJGZAPIMETMW-OZXSUGGESA-N 480.593 5.110 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813975031 XLHRIGXQDYZJEL-SBUREZEXSA-N 476.379 5.041 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CCc3ccc(C)c4ccccc34)[C@@H]2c2cccnc2)C1 1814300582 TUTTYOLWKCXWJC-GIGWZHCTSA-N 467.613 5.148 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)[nH]n1 1814443892 HGSKEMBCIPIEDZ-NRFANRHFSA-N 461.566 5.363 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)n[nH]2)c1Cl 1814719500 ORGZCRJUQZKNLR-JAXLGGSGSA-N 491.954 5.183 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)[nH]n1 1814824468 UDPHHPPPQOBSRF-QFIPXVFZSA-N 471.001 5.075 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccccc3F)CC2)[nH]n1 1814830720 FMJVSTFHSBHMBU-JOCHJYFZSA-N 450.558 5.041 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818868079 MUCNRYNIFRJDMR-YCRNBWNJSA-N 491.954 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)[nH]n1 1819306101 WXEQMCHZXUMDBN-QPPBQGQZSA-N 457.578 5.341 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)[nH]n1 1819554333 SWSZXAYIJHVXOD-QGZVFWFLSA-N 451.493 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(C)oc3cc(O)ccc13)CC2 1820098507 WCNTYORNLPNQIH-OAHLLOKOSA-N 467.591 5.122 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)[nH]n2)cc1 1820553617 HVFIMMNBPMJZQV-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@](C)(OC)c2cccc3ccccc23)n[nH]1 1820702960 STVZIPJYNPNELQ-WNCULLNHSA-N 492.645 5.036 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)[nH]n2)c(Cl)c1 1821274251 AACXNEAGVFPMOJ-VQIMIIECSA-N 475.927 5.066 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sc(C)cc3[nH]2)n[nH]1 1821440465 JQTWSUCKZQFLDP-IBGZPJMESA-N 453.612 5.559 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821609259 CHTDYGCQZGFRKE-GBXCKJPGSA-N 476.602 5.569 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)[nH]n2)c1 1823214743 JSHIXXKLKVQQNV-KLQMQMICSA-N 497.624 5.231 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823303109 KQBLPHRXGFYTRD-KRWDZBQOSA-N 471.385 5.081 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)ccc(F)c1F 1823686199 RIMKNELSFBEJON-RUZDIDTESA-N 479.571 5.011 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1823753933 PSKMMCTYFJLAQB-HSZRJFAPSA-N 489.664 5.232 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1823978259 YBZHTTNBPLXAKJ-UTKZUKDTSA-N 452.973 5.275 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1824168445 HZYDUWFZNCDSLB-JRFVFWCSSA-N 491.717 5.148 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c[nH]1 1825437311 UQODFIUZANTNDA-RUZDIDTESA-N 474.649 5.050 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)cc1 1826780406 GISJWEJAFDVJHG-ANHREMPLSA-N 496.655 5.170 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3cccc(C)c3)CC2)C1 1827332813 FAJDWNKMBIWMKY-AREMUKBSSA-N 457.618 5.257 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(C)oc2C(F)(F)F)CC1 1828824662 NXHXLFBMSARIGC-OALUTQOASA-N 467.532 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 1828827785 VFDJYXDJDATQIB-NHKHRBQYSA-N 491.720 5.429 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 1828829509 INOAKFQGCFYEHM-RRPNLBNLSA-N 464.650 5.477 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1828830102 KYRPYGJVXFVKNF-RDPSFJRHSA-N 468.041 5.823 30 20 JKED CC(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)no1 1828904065 MBMFFHBCUGMPSF-QHCPKHFHSA-N 471.718 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1829067240 GLTDXQCVILEWBO-GDWZEYGFSA-N 491.720 5.977 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1829067486 OHUYTZJBCJUJPQ-DEOSSOPVSA-N 483.056 5.509 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(F)ccc(F)c2F)CC1 1829068359 RNKBWAKUVBZYDY-QFIPXVFZSA-N 464.572 5.259 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(F)c2F)CC1 1829070487 KVQBYEYINKNTOG-NRFANRHFSA-N 450.545 5.330 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccn2)CC1 1829204495 YAYKCQVMFHGJPK-HSZRJFAPSA-N 474.121 5.019 30 20 JKED Cc1cccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829693238 XZPGJZZPKARKGD-JOCHJYFZSA-N 467.972 5.206 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)c1 1829956883 WGUCJQFEYYLBGS-ZCYQVOJMSA-N 476.020 5.175 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1830446479 NGFYSRNFUYLKTG-NDEPHWFRSA-N 499.655 5.366 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)S)CC2)cc1 1830676435 SZJGHBFMWHJKOB-CPJSRVTESA-N 450.648 5.214 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3F)CC2)c(Cl)c1 1830723125 FSJKRVLIKQJGOM-VWLOTQADSA-N 481.999 5.217 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830766929 UUPWRIOWCWCSIY-RALKEJGDSA-N 461.631 5.265 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830802555 GVUCQDAEVMVCOT-ZEQRLZLVSA-N 492.582 5.716 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cc(Cl)ccc3Cl)CC2)C1 1831239027 LWFCRJRELSPPSV-HSZRJFAPSA-N 463.449 5.512 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1 1831790390 IWCDDCYDNIGZGA-GOTSBHOMSA-N 489.701 5.046 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc12 1832632837 WQPZSWRACBBNGP-PIKZIKFNSA-N 482.628 5.651 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1835815860 FVUXESRIAIKQKB-UHFFFAOYSA-N 486.056 5.264 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccccc4)cc2)C3)c1Cl 1844736443 AJOKKRPCIYUMRG-UHFFFAOYSA-N 455.945 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)c1 1845280406 CVXCJUFCBYBYHU-HRFSGMKKSA-N 499.561 5.642 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)c(Br)cc1Cl 1847263787 PYHMORNOYPBGKN-ROUUACIJSA-N 471.798 5.049 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2scc(-c3cccs3)c2c1=O 9964581 VLVVOBDUJDNUKP-UHFFFAOYSA-N 496.639 5.062 30 20 JKED O=C(/C(=C(/S)Nc1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1F 10830914 LAMYYQZJDBCHDB-UHFFFAOYSA-O 493.986 6.547 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc3ccccc23)cc1 11126325 DHUWKOXBWNDMAR-UHFFFAOYSA-O 461.557 6.409 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccccc2C(F)(F)F)cc1 11156758 BISOMFVUDNQDCJ-UHFFFAOYSA-O 474.484 5.514 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nccn2Cc2ccccc2)n(Cc2ccccc2)c1C 16685344 YWRITZNKUAWVAL-UHFFFAOYSA-N 455.587 5.001 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 18436859 PEODCXAMNVZPHT-KRWDZBQOSA-N 485.009 5.064 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 20990577 UHHNEYFUBQGFEB-CQSZACIVSA-N 480.487 5.320 30 20 JKED Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2Cc2ccco2)c1 22045992 XKXUSBAMZAZWQO-FQEVSTJZSA-N 471.586 5.322 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 24919542 UNNBQCIZCRJHGX-UHFFFAOYSA-N 485.400 5.143 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)n(-c2ccc(F)cc2)c1C 26252109 BMPVAPOURFNJFM-UHFFFAOYSA-N 495.630 5.812 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2cc(F)ccc2F)c1 116718976 COXYXKRFQMDVND-UHFFFAOYSA-N 476.932 5.276 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Br)cc1 195629999 HOVOVKXCUIVYEG-JOCHJYFZSA-N 478.346 5.319 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3cccc(Br)c3)o2)ccc1S(C)(=O)=O 195741307 ANJNZKBSOXXRCS-VQHVLOKHSA-N 461.333 5.017 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2Cl)c1 303163012 IBJQCGBBQBZAMN-UHFFFAOYSA-N 491.935 5.053 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)o1 303239732 IUAKOPLCHPCKPK-UHFFFAOYSA-N 464.481 5.209 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCCS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 409523436 TUTRBCKHBVTJOU-UHFFFAOYSA-N 499.386 5.306 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(SC)cc1 480260874 WFKGSJPIRVPKFB-QFIPXVFZSA-N 461.543 5.498 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1c(Cl)cccc1Cl 481829705 JDTJESVJDOWARJ-OAHLLOKOSA-N 479.352 5.368 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3[nH]c4ccccc4c3Cl)s2)c(C(F)(F)F)c1 487444135 LHSBVYORYJMKBP-UHFFFAOYSA-N 460.868 6.011 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1 491478513 FJXNTVQOBVGCBE-AREMUKBSSA-N 468.601 5.132 30 20 JKED CN(C(=O)CSCC#N)C(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 497763328 NVEOUXXDKNNECK-UHFFFAOYSA-N 496.268 5.081 30 20 JKED C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N(CCC#N)c1ccccc1 499849052 HLLJVTZJIJJTDC-SFHVURJKSA-N 456.546 5.863 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc1Cl 502978885 CBDQMKRPZDKKKZ-AHWVRZQESA-N 474.992 5.190 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)s2)cc1 509260262 MXDPGGPLXXLRBM-KRWDZBQOSA-N 464.601 5.070 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1 509669548 HDSVDNALYUSIDJ-UHFFFAOYSA-N 481.483 5.759 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)c2)cc1 509899594 DOINGBFNDITSQZ-RUZDIDTESA-N 458.562 5.273 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccccc1F)c1nccn1C 510525724 WHKHCDWWVQBEIP-XMMPIXPASA-N 455.493 5.443 30 20 JKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(C)c1 510857402 QEDFUZNXYNBZOR-UHFFFAOYSA-N 456.546 5.687 30 20 JKED Cc1ccc([C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)N2CCCC2)o1 513986147 WWFHQJPJWIWEFJ-RUZDIDTESA-N 458.562 5.192 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)n2)cc1 514900225 HBTWIWTWIQPVOJ-UHFFFAOYSA-N 473.867 5.792 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(C)c2nc(C)cs2)c1 515293945 IUEZWGBVRXWXPZ-UHFFFAOYSA-N 495.548 5.128 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CCCCCC3)CC1 515448566 DJAPHNQSPUNWMK-UHFFFAOYSA-N 486.037 5.432 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 517461165 BMJKZSRFQFXEKD-IBGZPJMESA-N 493.654 5.131 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517903419 MASOTUOQCIGBJB-UHFFFAOYSA-N 469.520 5.976 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 518253002 OBRZSHNNPAFYGD-QVKFZJNVSA-N 453.564 5.126 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(-c4c(F)cccc4Cl)noc3C)n2)cc1 518516536 JNLVHIXGAWRXGO-HNNXBMFYSA-N 467.909 6.065 30 20 JKED N#C[C@@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 519248807 IGGUQIYKCMOPLC-LBPRGKRZSA-N 459.399 6.145 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 519986511 SIEDQBZSBUGTBV-LJQANCHMSA-N 469.610 6.142 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1S[C@@H](C)CC#N)O[C@H](C)C2 520941024 BOJVMWPHZFPCRY-JQZBISMTSA-N 451.592 5.481 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521220798 MIXXDLSUHOPNRX-ZDUSSCGKSA-N 477.537 5.946 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 521327171 UTWPUKLZWVSNJY-UHFFFAOYSA-N 485.540 5.435 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 521810534 SNGMEQHQTSWSIH-HNNXBMFYSA-N 475.412 5.254 30 20 JKED COc1ccc(CNC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c(C(F)(F)F)c1 524199271 CWIZBBOYTSSLPZ-UHFFFAOYSA-N 468.369 5.453 30 20 JKED COc1ccc([C@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2c[nH]c3ccccc23)cc1 524384782 SMZQFMIZFUJIEM-SANMLTNESA-N 491.547 5.782 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 550491849 RQOGPCSQGCQWSH-UHFFFAOYSA-N 485.300 5.169 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4)nc4onc(C)c34)n2)cc1 572426004 NZJITMXUICAIID-HXUWFJFHSA-N 450.523 6.120 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)cc1 594666755 RUIIGYCVSMRAKJ-ZIZDPRJYSA-N 493.676 5.833 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Cl 603759111 UMAUEALXLGDXPO-VWLOTQADSA-N 491.934 6.048 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CSCc2ccc(Br)cc2)cc1 604003884 PDQRVFYKRCTWEU-UHFFFAOYSA-N 481.415 5.966 30 20 JKED COc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604476461 GHEUQQPCDFFNHE-KOSHJBKYSA-N 475.976 5.080 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)nc1 608951647 QYPXOLHRBAHQGX-UHFFFAOYSA-N 450.464 5.038 30 20 JKED N#CCCN(Cc1ccco1)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 608959641 ILVAISCMCJISGO-UHFFFAOYSA-N 496.411 5.548 30 20 JKED CCOc1cc(CNCc2cccc(C#N)c2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 608982246 GVWXYDILEWNNCZ-GIGWZHCTSA-N 475.633 5.053 30 20 JKED N#Cc1ccc(CNC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c(F)c1 609229665 HXXUOHPXKUVGCY-YBFXNURJSA-N 472.501 5.462 30 20 JKED COc1ccc(Br)cc1CSCC(=O)Nc1ccccc1S[C@@H](C)CC#N 609388128 KFLCUWBLKFQJCJ-AWEZNQCLSA-N 465.438 5.724 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)nnc1-c1cccc(C)c1 617943854 MNZXUKRUCRIMSX-QGZVFWFLSA-N 463.632 5.188 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301114 KBHCPZROFMREMW-PHIMTYICSA-N 491.272 5.692 30 20 JKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H](O)Cc1cccc(C(F)(F)F)c1 622485061 CTMAOVFIBFEJNK-CABCVRRESA-N 459.308 5.047 30 20 JKED CC(=O)Nc1cc(NC(C)=O)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 642281456 GCKJCBSQVQWQHU-GOSISDBHSA-N 487.368 5.524 30 20 JKED CC[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 642911876 CXXYNKZGLOIUQO-GYSYKLTISA-N 462.381 5.948 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccccc2SC)nnc1-c1ccc(Br)cc1 644507868 OXXGEGAXLDOSRC-UHFFFAOYSA-N 489.464 5.736 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cn(-c2ccccc2)nc1-c1ccncc1 725753991 NTYWQJDCBDDUKI-UHFFFAOYSA-N 487.592 5.441 30 20 JKED CNC(=O)C[C@@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N([C@H](C)c2cc(C)sc2C)C1=O 726398272 BKIXAYSPFPSMIX-RSJFDFDBSA-N 483.581 5.081 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 726941932 LWWVCNWQCVIBSP-UHFFFAOYSA-N 475.614 5.590 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1cccc(SC(F)F)c1 727617983 DBGMQYWWXYASCZ-UHFFFAOYSA-N 473.314 5.056 30 20 JKED CC(C)N1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C/c2ccc(O[C@H](C)C#N)cc2)C1 728694707 GLAQIDOQJLMDPD-ZFUMSIGPSA-N 455.558 5.028 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nnc(-c4cccs4)n3C3CC3)n2)cc1 728766807 LSVULLIOUOBHON-KRWDZBQOSA-N 477.640 5.742 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCCC#N)cc1 728777825 PNYSJWJSSDGSQX-HXUWFJFHSA-N 488.535 5.668 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728778200 RIVIJKKSRJBGIH-FQEVSTJZSA-N 470.982 5.003 30 20 JKED O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 729555965 KFJIAGLKJFTLOC-QGZVFWFLSA-N 490.759 5.114 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCC2)cc1Cl 730462862 QKCHBPQYXVICPB-LJQANCHMSA-N 461.946 5.001 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccsc2)C1=O)Nc1cnccn1 730716875 YGNFBLUBVJOWPP-MRXNPFEDSA-N 492.413 5.005 30 20 JKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 731040505 WJYCPNMSVUXCTD-SJORKVTESA-N 469.566 5.153 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 731073486 DUDLWUAVCWNUSE-UONOGXRCSA-N 483.442 5.908 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCOC(C)(C)C)cc1 731307266 GQQUWVVJMAYSGH-QFIPXVFZSA-N 483.634 5.291 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731307327 HEUMRDLWCRIDMJ-NRFANRHFSA-N 483.952 5.345 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc3cccnc23)c1 731307339 HHODUUWNYLUROT-DEOSSOPVSA-N 496.592 5.409 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731313168 UBRAPNLCVBFXDP-IQGLISFBSA-N 496.592 5.662 30 20 JKED COc1cc(/C=C2\SC(=NN=C(C)c3cccc4ccccc34)NC2=O)ccc1OC(=O)C1CC1 733783182 ZCILRBGHCNILAG-SQXOWHHZSA-N 485.565 5.148 30 20 JKED CN(c1ccc(CNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1)C1CCCCC1 742415919 DJNUNZWLJNHGCH-UHFFFAOYSA-N 486.576 5.071 30 20 JKED CC[C@@H](OC)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 744641462 NTTYFHGXIWVJQJ-CIGMURNLSA-N 468.575 5.206 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744997876 XDKDKBNEJXXUNQ-DEOSSOPVSA-N 480.593 5.188 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 746697930 PXOMBVBKNBLJJW-JOCHJYFZSA-N 488.053 5.734 30 20 JKED CCc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(OC)c(OCCCC#N)c3)s2)cc1 747361702 WZYWJIFBZFJOEH-RGEXLXHISA-N 482.993 5.781 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c1 747598518 CANCPXKIBAZZCX-FQEVSTJZSA-N 468.579 5.060 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C2SCCS2)c1 749328493 UXLGTXMPLQUZMM-UHFFFAOYSA-N 467.429 6.287 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 750691863 UVGRJWJETRHYME-DNQXCXABSA-N 490.401 6.482 30 20 JKED CCOc1c(OC)cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1OC 750920831 DMDRQJGYEKQXER-UHFFFAOYSA-N 483.977 5.385 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CC(F)(F)F 799212867 LPRXECSFDMCTSH-MRXNPFEDSA-N 473.879 5.310 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1Cl 799219592 UXNDIVOZUGNEOW-INIZCTEOSA-N 466.788 5.083 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N(CC(F)(F)F)C1=O 799220210 IGUDRSQXMPIQOV-IBGZPJMESA-N 495.523 5.007 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CC(F)(F)F)C2=O)cc1 799221368 OSMONCXNYOCAAW-QGZVFWFLSA-N 485.915 5.261 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N([C@H](C)c3ccccn3)C2=O)c1 837455142 IKJKDVQHKAHLSK-NTKDMRAZSA-N 488.613 5.429 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](C)CCc2ccco2)C1=O 837514236 HUKYWWFELBCHST-JPYJTQIMSA-N 477.586 5.270 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 837674310 WLYGISHJGGPESW-IIBYNOLFSA-N 496.539 5.405 30 20 JKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)NCc2cccs2)cc1 839412354 AEESOWFJBQKRMN-UHFFFAOYSA-O 482.695 5.935 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 848954675 LMOACXWOAAHRAI-UHFFFAOYSA-N 474.948 5.110 30 20 JKED O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H](F)c1ccc(C(F)(F)F)cc1 857467481 FFPRSNACJPILFH-HIFRSBDPSA-N 469.788 5.178 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2cccc(C(F)(F)F)c2nc1O 883977952 BLCLQNKWMACQAG-URLYPYJESA-N 474.323 5.599 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 900271473 WLOBZFAMHJELDW-GOSISDBHSA-N 477.586 5.434 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(N3CCCCC3)cc2)c1 912646381 RWMIKSSPBJOBFB-UHFFFAOYSA-N 470.598 5.532 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 914538247 LNPJAJBYRWFKNM-REWPJTCUSA-N 472.614 5.098 30 20 JKED Cc1cc(-c2ccccc2)ccc1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 915348214 CJJQYKGDFXGXAA-UHFFFAOYSA-N 450.546 5.056 30 20 JKED CCOC(=O)/C(=C/c1cccnc1)C1=NN(Cc2ccccc2)C(=Nc2ccccc2OC)SC1 916156621 GBXIVPNKHATEGY-GGMCREQWSA-N 486.597 5.329 30 20 JKED CCOc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc(Cl)c1OC 916272727 JJROHGBOFWGRSM-UHFFFAOYSA-N 488.396 6.030 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1csc(-c2ccccc2)n1 916272898 NFOAOJFGSSHZAX-UHFFFAOYSA-N 462.987 6.093 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc(Br)c1 916273283 WJACPSSUVNOQNA-UHFFFAOYSA-N 458.768 5.732 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 916886899 LCPSPAXASXMHIO-IBGZPJMESA-N 491.523 5.220 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888366 WMJLTCWOVILXNR-QGZVFWFLSA-N 491.516 5.446 30 20 JKED Cc1cc(-n2c(C)cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2C)no1 916905814 PSFGWIXJVQHVKM-NRFANRHFSA-N 454.486 5.144 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916919252 USRNSIWVWZFWQX-MRXNPFEDSA-N 462.303 5.053 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1 916942832 QPYUQVJHBNPRQK-FQEVSTJZSA-N 469.324 5.542 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 916948271 FQYTVAWMTBVPEK-YWZLYKJASA-N 484.383 6.442 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976966 YMPOENZKKXJOQA-WMZOPIPTSA-N 470.381 5.342 30 20 JKED N#C[C@H](C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Cl)cc2)cs1 916977455 RAMZECHTPDOUIS-XVPJOVGPSA-N 483.037 5.298 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917043431 ILYUASCRCQPSDM-KRWDZBQOSA-N 468.007 5.622 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1 917119878 ZSSRNFTXGLYPHA-DHIUTWEWSA-N 474.358 5.096 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 917386247 IJTBJXZELSUKDX-UHFFFAOYSA-N 459.640 5.334 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c1=S 917489267 VQFNSYYVFBLYQK-UHFFFAOYSA-N 477.556 5.310 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)cs1 917559492 JTDRIOQFBZETSQ-UVTDQMKNSA-N 458.970 6.629 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cs1 917562016 TYTMFKNGEGLCSI-KQWNVCNZSA-N 495.629 7.169 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)c(C)c1 917674007 LVXSTOVZSWZEPU-HSZRJFAPSA-N 476.577 5.306 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917677797 XHELBBAIMVPTDC-SDHSZQHLSA-N 490.673 5.199 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(SCc3ccccc3)cc2)cc1 917685524 FYWLQTUQSIZXBZ-SOYKGTTHSA-N 479.627 5.044 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccc(Cl)s2)n1 920108803 JRXRCEWZPIVJJB-OAHLLOKOSA-N 479.970 6.278 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 920110272 NRADRFCTXHFGLX-HXUWFJFHSA-N 464.308 5.405 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc(-c3ccc(C#N)cc3)cs1)O[C@@H](C)C2 920140505 HQCWOFUOGZMCBM-KYMLWPADSA-N 455.539 5.294 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 920328352 RKUGXRGFTUGTNQ-ITDFMYJTSA-N 462.371 5.247 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cc(C)on3)C2=O)cc1 920353739 RGMOXWKRHFGIIA-HSZRJFAPSA-N 492.601 5.241 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c1 920357789 WGEXCRSXDMSVHA-JOCHJYFZSA-N 480.565 5.153 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3-c3cccc(Br)c3)cs2)cc1 920370327 USCRBMNDUOTVSB-UHFFFAOYSA-N 486.420 5.222 30 20 JKED COc1ccc(CSCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] 920807043 WMYHCNRWQNDQMT-ZDUSSCGKSA-N 475.498 5.115 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1C 920893725 SCYQIXRUZSQZGG-UHFFFAOYSA-N 486.572 5.105 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccc(Cl)cc5)[nH]n4)CCC3)cc2)C1 1785808031 HHTIKJQOTFKZPG-UHFFFAOYSA-N 460.965 5.444 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)CCC1 1785958462 UQRRUGXEYXNXGY-UHFFFAOYSA-N 489.385 5.319 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1786679298 ZVAWDHGPUIAMRI-UHFFFAOYSA-N 466.006 5.555 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)CCCOc4ccc(Cl)cc4)cc3)CCC2)CCC1 1786699712 ZWZCEDCAQWQNHN-UHFFFAOYSA-N 465.981 5.327 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)cn1 1787303251 QLNBAZSUHHERRU-UHFFFAOYSA-N 489.373 5.086 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)c(Cl)c1 1787353165 FFVGRGIYEGRKBV-UHFFFAOYSA-N 498.892 5.687 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3)CCC2)cc1 1789508906 WLGIFARMYZYXAX-UHFFFAOYSA-N 461.682 5.199 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1789560377 AGYQKRFDLARQAY-DRQPSCMVSA-N 494.979 5.098 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3csc4c3CCCC4)CCC2)cc1 1789577823 LURDZHLNNSTSGR-JFLMPSFJSA-N 461.587 5.087 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CN(Cc3ccco3)C(=O)OCC)CCC2)cc1 1789625490 GUPXTKAWDQDBPE-UHFFFAOYSA-N 495.620 5.365 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4Cl)cc3)CCC2)c1 1789731403 HXMHEFAZNXPVTB-KRWDZBQOSA-N 458.949 5.424 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)c1 1790073210 REJOILQDOLIJMO-UHFFFAOYSA-N 476.536 5.177 30 20 JKED COc1ccc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707016 BFKWYDIEQNRKGS-UHFFFAOYSA-N 473.960 5.476 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(OC)c1 1790708681 NHVQJAHCWUPSGL-UHFFFAOYSA-N 497.595 5.150 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cc6sccc6[nH]5)CCC4)cc3)c2c1 1790835836 CZZZQFQWNUDLBC-UHFFFAOYSA-N 480.553 5.039 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccc(Br)cc5c4)cc3)CCC2)CC1 1790867940 PIPHFNQPAXXUFC-UHFFFAOYSA-N 489.373 5.049 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C(F)(F)F)cn3)CCC2)cc1)C(F)(F)F 1791303228 NBNSMCINJXTVTC-UHFFFAOYSA-N 485.428 5.286 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(F)nc4)CCC3)cc2)c1 1792123249 PSBKNTRLNOUEBQ-LJQANCHMSA-N 470.548 5.228 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2 1801696693 VPZKCYMMUXZYJT-WKCHPHFGSA-N 470.585 5.442 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1803092645 ZHGRAFRHSMOFDG-RSXGOPAZSA-N 475.633 5.347 30 20 JKED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCc1ccccc1 1804259844 SFYKVOZZXMBAPU-OOSCYNTBSA-N 482.665 5.107 30 20 JKED Cc1cc(C)c(OCC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)C2)c(C)c1 1805866710 RLJJDBBTQQMNSU-XMMPIXPASA-N 487.644 5.163 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@@H]1c1cccnc1 1806449076 BVLJECFIKVYBBL-JFTIXFDTSA-N 469.576 5.129 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3cnccc23)[C@@H]1c1cccnc1 1809920997 LJBHHLVUZJNZPT-CUBQBAPOSA-N 498.703 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(F)F)cc2F)[C@H]1c1cccnc1 1810504824 HUBNKSQYCISFJC-AVRDEDQJSA-N 489.538 5.134 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810591987 XDIXKUIIHCYKAS-NSXLHWASSA-N 470.013 5.054 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811786545 FYSMZDIYGABAKG-HTZUNMPGSA-N 464.368 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1812197805 NHYVDFGLQUBAJG-XXBNENTESA-N 477.630 5.314 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1)C(F)(F)F 1812682557 RGFVIKAQSMKTJG-PZJWPPBQSA-N 453.549 5.203 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@H]2c2cccnc2)cc1 1813954347 CDBTVPDMAKCNSH-URLMMPGGSA-N 486.575 5.254 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1813966515 BHWCJUPPCLTEOZ-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)[nH]n1 1814829746 SFYCDWFJCHFUQN-NRFANRHFSA-N 462.550 5.244 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1 1816098301 OIFKIVBHAHDEJA-XMMPIXPASA-N 475.593 5.002 30 20 JKED CCC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)n1cccc1 1818060133 NIILQLAPZUMCKK-FCHUYYIVSA-N 478.984 5.084 30 20 JKED CN(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)c2ccccc12 1818608762 ODEYEVATFNDNSQ-AREMUKBSSA-N 492.583 5.120 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818992558 MWJNGLNWFAFYJF-NRFANRHFSA-N 451.546 5.328 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(-c3cnccn3)c2)n[nH]1 1820212342 IFNWMCNRAMONBV-QHCPKHFHSA-N 472.593 5.165 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1)c1ccccc1 1820482027 RPSSLESVQCFMPP-UKILVPOCSA-N 455.562 5.027 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n[nH]1 1821083553 PPSXHFWRGDLODR-ACJLOTCBSA-N 452.452 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(-c3cnco3)c2)n[nH]1 1821186152 OAQUIZNKLRMXAE-NRFANRHFSA-N 461.566 5.363 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(-c3cnco3)c2)n[nH]1 1821186277 PZFRAZYDCDGCKN-UNMCSNQZSA-N 459.550 5.139 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1821271998 UHOCBFAQGXGGBJ-DEOSSOPVSA-N 467.504 5.193 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1821750789 JMPOAZIIQSCKTC-VYEARIFYSA-N 497.599 5.455 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc(Br)cnc23)[nH]n1 1821925661 XJBFJXUIZNZYMU-QRWLVFNGSA-N 496.409 5.239 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1)C(F)(F)F 1821992740 HCVWWXUVVHWGEK-NSHDSACASA-N 467.300 5.202 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[nH]n1 1822394789 XREVRPNSPBXDJS-UTKZUKDTSA-N 474.527 5.114 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1822581905 TWYUZJUVOFJRJN-OAQYLSRUSA-N 473.602 5.377 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1822584785 BMMFFICKSIFBMT-IBGZPJMESA-N 480.918 5.581 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)[nH]n2)c1 1823215484 SUMCJDVZQQMSPO-XDHUDOTRSA-N 466.545 5.138 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c1 1823218005 XXZSBEQGNAIMGE-VFNWGFHPSA-N 479.943 5.449 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1823753591 UYOZOXHFQNGMTR-VWLOTQADSA-N 495.664 5.259 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 1824239727 USYDJEPAABCUCJ-KSZLKVKMSA-N 470.604 5.456 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CC(=C)C)CC1 1824761586 AHEDKNROJPABLI-PKTZIBPZSA-N 489.701 5.068 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681081 DTKHAWJCVASWSN-FJYVLNHRSA-N 496.698 5.288 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(Br)nc2C)CC1 1827971314 YSNNWDCAOLSWLK-SFHVURJKSA-N 496.515 5.440 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 1828827546 XLNNZHQRMFCLBX-BDYUSTAISA-N 472.633 5.145 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1828831580 VZMCEZKKDMZLTE-ZEQRLZLVSA-N 466.622 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCn2c(O)nc3ccccc32)CC1 1829068674 KDSKPZYALSOOQH-DEOSSOPVSA-N 494.680 5.134 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3Cl)CC2)cc1 1829446436 LGEXFCDOEGDZSI-OAQYLSRUSA-N 456.011 5.015 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1)C(F)(F)F 1829454629 RXFHYZQRSKQIJK-CQSZACIVSA-N 469.356 5.407 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829563499 SUMOUVXNKMNGJB-RUZDIDTESA-N 455.602 5.416 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c1Cl 1829693307 YSUYGBUXKUTKPE-CCDWMCETSA-N 476.020 5.249 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4Br)CC3)CC2)C1 1830392162 OJEKFCOXGOEING-HSZRJFAPSA-N 485.466 5.067 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830448893 DRXFSXHGTXATPZ-XNMGPUDCSA-N 479.571 5.422 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3Cl)CC2)cc1 1830631449 GHCPWLMOUOKNTE-OAQYLSRUSA-N 456.011 5.015 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)c1 1830716802 CGKXHNFILWMYIG-SANMLTNESA-N 473.592 5.053 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1830775705 DECZRJJRHWTGEH-CQQBXOTJSA-N 486.584 5.007 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1)C(F)(F)F 1831450099 ADUJNLNVZSZNHN-NRFANRHFSA-N 486.962 5.237 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)CC1)c1ccccc1 1832349522 GYYJZYFFUGZHEP-FGMCNFBYSA-N 489.685 5.282 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1832585908 MOZRVHYPBLQVCW-HSZRJFAPSA-N 480.008 5.076 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1832631750 HMTFXLZGTDDMFD-UZUQRXQVSA-N 499.442 5.563 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1832631996 JZGINDBSMVRRGV-PGRDOPGGSA-N 491.682 6.137 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1 1832633428 HRMQXCPZJNJAIM-VCVMUTABSA-N 469.629 5.351 30 20 JKED COc1ccc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633975 QCZYSZFRYOMEAA-IDISGSTGSA-N 473.617 5.178 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)c1 1832634553 WRWFIELOKGNEPD-VGOFRKELSA-N 453.970 5.107 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832683016 CIWYTIKSIPNYIR-HSZRJFAPSA-N 499.989 5.356 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3c(F)cc(Cl)cc3Cl)CC2)CC1 1836455857 FKCGELWKPXMQDO-UHFFFAOYSA-N 498.470 5.310 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3c[nH]c4cc(C)ccc34)CC2)CC1 1838375889 WJOLAYYNDKQOIQ-QTOANSKZSA-N 489.660 5.257 30 20 JKED O=C(/C=C/C(=O)N1CCCC12CN(C(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2)c1cccs1 1843417592 KCBMRONOXQJDBO-OUKQBFOZSA-N 497.060 5.318 30 20 JKED C=CCN(CC=C)C(=O)CSc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1CC 9840649 RYSZYOITSPPTMK-UHFFFAOYSA-N 469.614 5.473 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10170988 HDTVNBCGXMHDBH-UHFFFAOYSA-O 453.587 6.380 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccc(Cl)cc2)cc1 10240629 YJHSBPSZDJYKGQ-MRXNPFEDSA-N 489.988 5.587 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2cccc3ccccc23)cc1 11127050 XXGDXAWZYMLYSW-UHFFFAOYSA-O 486.617 5.472 30 20 JKED C=CCN(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 14352992 OTIBQRZGFDYGRU-UHFFFAOYSA-N 474.504 5.188 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(COc3ccccc3Cl)n2C)C(C)(C)c2ccccc21 21375076 XZWPKTPFKOJQAP-BKUYFWCQSA-N 469.010 5.020 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1ccccc1OC 21673598 PCOZJSSGZCFNGB-UHFFFAOYSA-N 484.379 5.245 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 21683246 YVFRNFAGBVVWKU-DLBZAZTESA-N 480.659 5.030 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 22729048 FIHNMUHJVASZEM-UHFFFAOYSA-O 473.568 6.202 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)NCCc2ccccc2)cc1 22735521 KUTMBNBYXBYLJO-UHFFFAOYSA-O 482.467 5.460 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3sc4cc(F)ccc4c3Cl)n2)n[nH]c1=S 23041829 GMOZKAYNJZFQJP-UHFFFAOYSA-N 465.988 5.433 30 20 JKED N#CCN(C(=O)COC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1)c1ccccc1 23870753 HBSBSZBSCPLRST-UHFFFAOYSA-N 483.549 5.245 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 25101727 DBPQDJAVEJESLB-UHFFFAOYSA-N 472.401 5.060 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1ccc(F)cc1 25353010 SLZGTQIUBPJGCP-UHFFFAOYSA-N 461.444 5.631 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1SCc1cn2ccccc2n1 29810027 HMVHRHXGHKLKBC-UHFFFAOYSA-N 460.562 5.674 30 20 JKED Cc1ccc([C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc2)cc1 32968869 RFUBPNRRPZQOBG-VWLOTQADSA-N 466.541 5.237 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nnc1-c1ccoc1C 36241057 OYIUOVGDAYIWAS-UHFFFAOYSA-N 479.631 6.083 30 20 JKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)Nc2cccc(OCCCC#N)c2)c1 59770737 WNCWHLSTEJYNPJ-UHFFFAOYSA-N 466.541 5.791 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 68766894 PIBFKWZNECLTSO-SFHVURJKSA-N 492.442 5.728 30 20 JKED Cc1ccccc1-c1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cnn(C(C)C)c2n1 78720129 SCHHACRQMMOHDR-LJQANCHMSA-N 469.614 6.634 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccccc1 303064887 VPUQOOKVONNKRV-UHFFFAOYSA-N 473.627 5.549 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 303318518 HHKUGCDUROQERT-MRXNPFEDSA-N 460.584 6.162 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2C(C)(C)C)nnc1-c1ccc(Cl)cc1Cl 409847117 IZWWUQDVWMTCBI-UHFFFAOYSA-N 465.410 5.120 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 480152392 JXHZTVSCGFDUTQ-XMMPIXPASA-N 455.514 5.429 30 20 JKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 485976266 LCUGHCQHBGUAQE-ZCYQVOJMSA-N 459.977 5.934 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2CCN(Cc3cccs3)CC2)cc1Cl 490691295 JVFPEFDAJFUPHL-DEOSSOPVSA-N 479.049 6.091 30 20 JKED CC(C)Cn1ncc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cnc21 499209236 HZUZUSRWCMEYIU-QGZVFWFLSA-N 470.385 6.008 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](c2ccc([C@H](C)CC)cc2)c2cccs2)cc1 502961775 LPWNCWNJUMJGDR-HOYKHHGWSA-N 475.614 5.022 30 20 JKED CCN(C(=O)CSc1ncnc2scc(-c3ccccc3)c12)[C@H](C)c1ccc(C#N)cc1 509601060 NDGMVKCSYTYCJU-QGZVFWFLSA-N 458.612 5.932 30 20 JKED CN(Cc1ccc(Br)s1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511519119 CNGBGFQPRSXRQS-UHFFFAOYSA-N 469.364 5.298 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1ccc(C(F)(F)F)cn1 513139003 YAQQCUCYUCGTJE-QGZVFWFLSA-N 489.295 5.417 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)s2)cc1OC 513274305 RUHLCJNWNQOYAX-AWEZNQCLSA-N 497.548 6.028 30 20 JKED CCOc1ccccc1[C@H](CC)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 513984593 FBWKCXFOFLASEH-SFHVURJKSA-N 453.593 5.374 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 514020750 RMQFCXSWVWCVBM-UHFFFAOYSA-N 481.575 5.471 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccc(Cl)cc1 514357666 ZSRDJTBTZWJLJN-ZDUSSCGKSA-N 477.815 5.666 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 514370491 FNNBCTJZJQKVSA-UHFFFAOYSA-N 483.663 5.165 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(Cl)s2)nnc1-c1ccc(Cl)cc1Cl 514535319 TVWHXCLUIVUKKO-UHFFFAOYSA-N 473.838 5.561 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SC[C@@H](C#N)CCC#N 514594890 KCRUMAJEMAHHFR-RMMWZPCPSA-N 453.587 5.529 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)n1 515284279 ZYMBQOKNLUZBGG-UHFFFAOYSA-N 457.515 5.290 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1 515649384 ITYMQUPOPCEMJZ-UHFFFAOYSA-N 482.384 5.078 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1NC(=O)c1ccccc1F 515674206 OGQCJXICKUDIJK-UHFFFAOYSA-N 492.510 5.763 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc(C(F)(F)F)cn1 516466052 KBIPINZRGYYXRT-SFHVURJKSA-N 488.263 5.605 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 516749134 QDXUFGQJIDNHEU-DEOSSOPVSA-N 471.513 5.395 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 518211079 DQEQESWFKFWHJF-LJQANCHMSA-N 461.974 5.039 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 518240937 MFVKGJNLPBMENH-AWEZNQCLSA-N 473.524 5.478 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 520139125 NRWGTWWZKFTNRT-UHFFFAOYSA-N 466.335 5.025 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c(C)c2)n1 520907564 MTMUKNUOMUGRAV-UHFFFAOYSA-N 464.616 5.858 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 523201230 MGBCUXWAQPAEEC-UHFFFAOYSA-N 469.383 5.133 30 20 JKED COc1ccc([C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1 523224862 AEFSHDHGMSEXMB-SANMLTNESA-N 491.547 5.782 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 524616701 UCKWISNWOIKQCZ-AWEZNQCLSA-N 485.400 5.482 30 20 JKED C=CCN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 595989860 UGBVMMSMBUSPNF-MRXNPFEDSA-N 492.992 5.019 30 20 JKED N#Cc1c(CCCNC(=O)c2ccc(-c3nc4ccccc4s3)s2)nn(-c2ccccc2)c1N 603593951 QONWDLIQYUYQMX-UHFFFAOYSA-N 484.610 5.027 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(Br)cc4)C3)cn2)cc1 604085850 CQZQAKIWTATFII-GOSISDBHSA-N 492.377 5.156 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604155622 CAGHIWFIWUOTDF-UHFFFAOYSA-N 482.367 5.236 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)c2)c1 608994390 LEOWUQABJQECHF-HSZRJFAPSA-N 478.911 5.208 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H](c3c(F)cccc3Cl)N3CCCC3)o2)cc1 609070471 DFDRTUPTAAXCFG-QFIPXVFZSA-N 467.928 5.090 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C#N)cn2C(C)(C)C)c(OC)c1 609358284 CIYGUSHVUPPXAB-UHFFFAOYSA-N 470.573 5.852 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 609377992 NIGWRRFIRFAMHW-HZPDHXFCSA-N 472.035 6.507 30 20 JKED N#CCCSc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 609379819 IJQDVNRURDYLTL-UHFFFAOYSA-N 454.417 5.531 30 20 JKED C[C@@H]1CN(Cc2ccc(CNCc3cccc(OCc4ccccc4C#N)c3)cc2)C[C@@H](C)O1 609432839 VOMDLCDXDHHHPH-DHIUTWEWSA-N 455.602 5.036 30 20 JKED C=CCn1c(Sc2cc(C(C)C)nc3ncnn23)nc2sc(-c3ccccc3)cc2c1=O 613360392 PMTQWQHFKTWCCY-UHFFFAOYSA-N 460.588 5.023 30 20 JKED N#C[C@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc2cc(C(F)(F)F)ccc2s1 613405308 XKKPZUQFUXBQED-GFCCVEGCSA-N 465.250 6.314 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 613407485 UXYXQIYJFWJRSJ-DNVCBOLYSA-N 488.034 5.311 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1nc2ccccc2o1 614439769 HWWDJEFQKLYPJE-FQEVSTJZSA-N 459.465 5.371 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(OC(F)F)c1 616382772 CGCSGVXWCPNQNW-SECBINFHSA-N 470.316 5.142 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)C2CC2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281924 ZCMMTGMWWKHHEF-QGZVFWFLSA-N 456.354 5.955 30 20 JKED COc1ccc(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F 642793514 JJQJPWZJZHUIBX-GDNZZTSVSA-N 464.353 5.005 30 20 JKED CN(C(=O)c1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CCCCC1 726075568 OEDVHAIGIZXTFI-UHFFFAOYSA-N 498.602 6.336 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OCCC)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406657 LLEJOHDHOOOJQF-NRFANRHFSA-N 482.993 5.147 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(C2CC2)C1=O 726410428 ZMLRAMYJXZMDOU-IBGZPJMESA-N 473.385 5.296 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1C1CCCC1)c1cccs1 726414975 DNKTVYCXSSZWNV-TZTREGAWSA-N 470.664 5.147 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 726415146 INBJIHAOIWDCII-CYFREDJKSA-N 488.613 5.590 30 20 JKED CNC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2cccc(COc3ccccc3)c2)C1=O 726418521 DNFXHKKOLUPXTI-VBOMYQPLSA-N 493.654 5.024 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(-c3ccccc3)cc2)c1 726570961 AWTUDGGJOYQLIP-UHFFFAOYSA-O 483.016 6.798 30 20 JKED C=CCOc1c(Br)cc(CNC2CCN(c3ccc(OC)cc3)CC2)cc1OCC 726607045 VFJCLIBEEJWPNC-UHFFFAOYSA-N 475.427 5.180 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CCCC2)cn1 726890635 WUNOXZMIHIYQLB-JOCHJYFZSA-N 474.586 5.146 30 20 JKED CCOc1cc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C 727267478 VJTZBEAPNZQUAN-AWZALFRUSA-N 476.598 5.277 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(OCC#N)cc1 727650915 XFZBPKPDYWTYQW-DEOSSOPVSA-N 484.581 5.058 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(N4CCCCC4=O)cc3)cc2F)c1 728391724 BSGGYGCBKGLSMQ-UHFFFAOYSA-N 472.520 5.115 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 728424787 IBAMPYYJAKGWAX-KOSHJBKYSA-N 483.597 5.237 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CCCCC#N)C2=O)c1 728778608 DKVOEIAQXWBJPY-DEOSSOPVSA-N 486.597 5.503 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)cc1F 728778626 DNROGYBVNOVQKP-XMMPIXPASA-N 488.588 5.942 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\[C@@H](C)c1cccs1 729633590 YMSTYVSOHRCKSL-UIRXZSOGSA-N 464.616 5.042 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C)c1C 729634698 REDSBFRGILYWIT-QHCPKHFHSA-N 494.567 5.446 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O 730462103 WIOFFKXFTAYCQJ-OAQYLSRUSA-N 455.555 5.127 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730687492 NMLIFHAADWJSFJ-LBPRGKRZSA-N 469.206 5.023 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730709239 QGOSTXJTDOWEEP-JOCHJYFZSA-N 474.517 5.127 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730717418 MGPRFUMAQDFCOJ-GOSISDBHSA-N 475.357 5.142 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944267 VEPRTANUXMTWAR-HTAPYJJXSA-N 462.550 5.251 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 730945303 PTFVCFBTRHVSSJ-MHECFPHRSA-N 488.613 5.374 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCCC1 731068407 CTPQMMDCDGGKAB-KRWDZBQOSA-N 456.995 5.728 30 20 JKED COc1cc(/C=C/C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1OCc1c(C)noc1C 731198962 RMCXYSMPCFBKBQ-VZAKSBQTSA-N 473.573 5.571 30 20 JKED C[C@@H]1CCCC[C@H]1OCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310434 IAUNRYPAVOJNLK-ZQMYSKGWSA-N 499.608 5.087 30 20 JKED COc1cc([C@@H]2NC(=O)N(Cc3cccs3)C(c3ccc(C)cc3)=C2C(C)=O)cc(OC)c1OC 732047370 ZDVLTYRAERGEHU-DEOSSOPVSA-N 492.597 5.349 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C\C(=O)c2ccccc2)c(Br)s1 745997762 JWERBCPEHQUJIJ-KHPPLWFESA-N 495.320 6.505 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2)n(-c2ccc(OC)cc2)c1=S 746050666 XXTALSBYYHKDEQ-UHFFFAOYSA-N 485.613 5.057 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C)c(C)c1 746697030 ZEYBKRSFXYYOEA-QFIPXVFZSA-N 453.608 5.080 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 747317707 UWFKMPLTZBIDHF-WUFINQPMSA-N 495.529 5.659 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 747480302 DSFXDRXJUJDYMP-UHFFFAOYSA-N 480.546 5.898 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCc1nccs1 747603689 WBAMJUBHKVLLBS-HXUWFJFHSA-N 499.061 5.616 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)o2)c2ccccc21 773993980 LXWSHUIRBSZABO-UHFFFAOYSA-N 455.495 5.464 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c3c(C)noc3n2)cc1 829454492 OTBDJQVSFMXDMD-UHFFFAOYSA-N 478.508 5.415 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 837785221 UOPPKDZVNXOJAL-QVKFZJNVSA-N 482.968 5.596 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccc2F)cc1 838073427 CFHPLYDHDNGYLH-QFIPXVFZSA-N 499.514 5.273 30 20 JKED C=C(C)[C@H](Cc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1)OCC 904668502 KXENWIBCXIRFFL-KRWDZBQOSA-N 453.848 6.120 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 912803664 YFQQIOLSJSAXBV-UHFFFAOYSA-N 451.533 5.151 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 914548327 FOCAQSPSRYCYOI-LJQANCHMSA-N 453.564 5.356 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCCC(C)C)cc1 914549491 DEVYNSHSNCTGAQ-QFIPXVFZSA-N 469.607 5.100 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(F)c2)c1 914772663 JTRFCOALODMUDA-QHCPKHFHSA-N 493.560 5.003 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 915085876 GDYKYNHDZCRTNX-DEOSSOPVSA-N 476.561 5.419 30 20 JKED CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(C2CCCCC2)cc1 915926282 DQOVSPOOUCUKEL-UHFFFAOYSA-N 461.635 5.243 30 20 JKED COc1cc(OC)c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1Cl 916154346 CNYZEONLSTUENH-ZHACJKMWSA-N 456.325 6.159 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(O)c(OC)c2)c1 916157324 HSELHROGXNUVSY-ZRDIBKRKSA-N 456.498 5.167 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccco3)C2=O)c1 916207227 DCPKEJUQNQAWDX-QHCPKHFHSA-N 493.585 5.074 30 20 JKED CC(C)(C)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916653599 OVBSSXZTEHLQFY-LJQANCHMSA-N 463.603 5.609 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1 916894837 VHDSALANDHQBDU-IBGZPJMESA-N 464.934 5.019 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cc(-c3ccccc3)nc21 916903365 RLUIJISVMBYKPE-GOSISDBHSA-N 487.947 5.050 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(I)c1 916906793 VOIQZMLIXSKQNB-SFHVURJKSA-N 482.277 5.045 30 20 JKED C=CCOc1ccccc1CN(C(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C)c(C)c1 917366788 NRLMNTGECNYEEX-UHFFFAOYSA-N 463.599 5.260 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)cs1 917564178 ZBVPYARMDSAPIA-LCYFTJDESA-N 498.938 7.132 30 20 JKED CC(C)Oc1cccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)c(Cl)c2)c1 917671369 WNFBMFKFKDHJBD-NRFANRHFSA-N 490.000 5.067 30 20 JKED COc1cc(/C=C2\COc3c(OC)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 920066406 AKKPGMSOIJAQHW-SFQUDFHCSA-N 479.916 5.033 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 920113619 IIBSOBVZDLUVEI-HNAYVOBHSA-N 480.014 6.617 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)n2)cc1 920140706 BDITUZKJUSNJBY-UKILVPOCSA-N 480.545 5.763 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc(-c2ccncc2)cs1 920268228 NBUKIEJIMRJGKP-OAQYLSRUSA-N 478.533 5.623 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920803948 HMKPRKIQCQWKRK-INIZCTEOSA-N 469.513 5.603 30 20 JKED CCOc1ccc(C=Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c(O)c1 920942953 ODYMUANNBVBGOK-UHFFFAOYSA-N 460.939 5.004 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)/C=C/c4ccsc4)cc3)CCC2)ccc1F 1786943923 CQHCVMNJYJIJGG-YCRREMRBSA-N 459.546 5.149 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)nc5n[nH]cc45)cc3)CCC2)c1 1788383806 HANJRKZIBRSILF-INIZCTEOSA-N 498.974 5.300 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1789513588 FMSQGMVBWCNMCI-ZCTHSVRISA-N 487.579 5.040 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)cc3)CCC2)c1 1789531061 BHLJEZIMDNRFIJ-DSITVLBTSA-N 483.568 5.333 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ncsc5[nH]4)cc3)CCC2)c1Cl 1789667822 ZYQBQAAOWYLHIK-UHFFFAOYSA-N 475.961 5.211 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C#Cc4ccc(Cl)cc4)CCC3)cc2)c(C)n1 1789964399 IZGQNINXSWQJDF-UHFFFAOYSA-N 457.961 5.151 30 20 JKED CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083941 QNSQJRDUWHTUII-UHFFFAOYSA-N 476.964 5.522 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4Cl)CCC3)cc2)c1 1790255972 KLJNDSUCACGSGW-UHFFFAOYSA-N 469.932 5.101 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4cccc(Cl)c4)CCC3)cc2)cc1 1790287026 WKSPYYNJNSIUIZ-UHFFFAOYSA-N 459.933 5.038 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC1)NC(=O)OC(C)(C)C 1790294447 ATHKHOXERXWHCN-HSZRJFAPSA-N 495.595 5.433 30 20 JKED CCOc1ccc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)[C@H](C)ON=C(C)C)cc2)CCC1 1790567554 MEYRYKBEKJHVLV-KRWDZBQOSA-N 471.985 5.287 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1 1790569355 LMVSAFNHOUJLBZ-HNNXBMFYSA-N 479.474 5.393 30 20 JKED Cc1nccn1[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790787673 RASYFZZQUPSJFU-MRXNPFEDSA-N 495.505 5.091 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc5cc(Br)cnc45)cc3)CCC2)C1 1790964379 VKFINMXRGPZOLI-UHFFFAOYSA-N 490.401 5.711 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792283028 BHNCTYSQYQLZNB-CCLHPLFOSA-N 483.653 5.370 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1803077831 NAJOBJXFPKDRPB-PZJWPPBQSA-N 475.511 5.090 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803090052 FNBQYHSGDRHPPH-CVDCTZTESA-N 489.513 5.328 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1803604413 SJBAJRYTSIIUPR-XGRCMKMKSA-N 488.078 5.224 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(C)cs2)[C@H]1c1cccnc1 1804528500 ZKLUIELQFWLJCG-XUZZJYLKSA-N 453.652 5.083 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)cc4F)C3)CC2)c(Cl)c1 1805066642 YOIRLDPXRBJUGO-UHFFFAOYSA-N 474.363 5.163 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4cccc(C(F)(F)F)c4)C3)CC2)c1 1806489203 CWEMNGSNCFHTCH-VOTSOKGWSA-N 495.545 5.444 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC4(CCN(C(=O)c5cccc([C@@H](C)C#N)c5)CC4)C3)c2c1 1806888498 CSSBRQUUOZIQQR-QFIPXVFZSA-N 482.628 5.191 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810175904 PKRKXVXKKHLBBY-DZTZBPHFSA-N 466.025 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(C)C)nn3ccccc23)[C@@H]1c1cccnc1 1810495708 VNNYKPUVGITWQH-BKMJKUGQSA-N 487.648 5.165 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1811749109 LTGKLZIJZIFRLC-ACYIZFCASA-N 479.024 5.143 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1811788675 YSGXBKUFAPLYKO-WMZHIEFXSA-N 499.011 5.264 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1 1811795743 BNVHSHHADVXXSO-HYBUGGRVSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1811823959 LWIUDYOHVKLDMF-TXTKFYIRSA-N 472.416 5.476 30 20 JKED Cc1cc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)cc2s1 1812128841 CFSQFFDVQMNIJL-CGSPVCNISA-N 497.624 5.193 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812220206 NDLDISGLHBIVOB-PLXFJCCSSA-N 473.642 5.693 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3[nH]c(C)cc3c2)[C@@H]1c1cccnc1 1812274162 NHKBDZWSGCLVHF-RDGATRHJSA-N 458.606 5.183 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1 1813220920 IBMGYNOCJLTJNB-NAKRPHOHSA-N 471.645 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1813942060 VGLVSOFTWWBZFV-PMAPCBKXSA-N 473.951 5.101 30 20 JKED Cc1ccc(OCCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1814634784 NNRRMVVZLCTYFR-CJFMBICVSA-N 485.588 5.120 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CSC3CCCC3)n[nH]2)c1 1815186680 FNLJYQDFKZGOKC-HTAPYJJXSA-N 465.623 5.018 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2ccncc2)n[nH]1)c1ccccc1 1815940896 BJPWFLKEYNFXGB-RSXGOPAZSA-N 483.616 5.017 30 20 JKED Cc1nscc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1816261663 DKYJGWAPZDDLSB-VWLOTQADSA-N 495.608 5.194 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679733 NGOLXAKPQPKPDG-BEFAXECRSA-N 484.025 5.747 30 20 JKED CC1=CC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CC1 1818807560 FOLOHGYEKOBMTB-IERDGZPVSA-N 496.409 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[nH]n1 1819303684 ZOEFIYMDPVISQE-KCESLBEFSA-N 468.548 5.252 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(C)=O)[nH]n1 1820945606 BEHRVHUPZRSGCG-PZJWPPBQSA-N 477.650 5.066 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CC1 1821243116 WPNKMARCLPXXJT-HRAATJIYSA-N 496.409 5.096 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)[nH]n2)c1 1821322092 GEUSZDLAPDAFLD-JOCHJYFZSA-N 495.505 5.157 30 20 JKED COc1ccc(C2(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(C)cc(C#N)c4)n[nH]3)CCC2)cc1 1821325764 OYKHRCWSVKGYBJ-RUZDIDTESA-N 497.599 5.026 30 20 JKED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2cccc3ccccc23)n[nH]1 1821349140 KWRIPVCVWCDBRI-QHCPKHFHSA-N 479.540 5.575 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(CC)CC)n[nH]1 1821754452 VQLUPSUQUOAGLK-ILBGXUMGSA-N 479.669 5.477 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[nH]n1 1822583023 BAUNNJYTDSUQKI-FQEVSTJZSA-N 494.945 5.510 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CSC3CCCC3)[nH]n2)c1 1823210434 DAIDLDATFZAYKB-HTAPYJJXSA-N 465.623 5.018 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](c3ccccc3)N(C)Cc3ccccc3)CC2)C1 1823702952 HIHJPQOJHPIHRF-XZWHSSHBSA-N 499.699 5.446 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCN(c3ccc(F)cn3)CC2)CC1 1823753024 BSSYGYJLDQIUMB-RUZDIDTESA-N 498.687 5.049 30 20 JKED O=C(c1ccoc1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055514 NRXDHGPOZJJBGX-OAQYLSRUSA-N 492.925 5.237 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 1824137708 MRMRVMQPLPUSCB-UODIDJSMSA-N 452.614 5.317 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1824143601 OATHSHOXLYTKQG-NDEPHWFRSA-N 471.645 5.750 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(SC)cc2)CC1 1824144730 DFMCKHSXJUAQPJ-VWLOTQADSA-N 454.680 5.339 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1824501040 OOQVSSNEAMEOPZ-HSZRJFAPSA-N 473.013 5.302 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824632261 FYLJPALRXLUJCQ-IBGZPJMESA-N 465.972 5.126 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CC2)CC1 1824932240 KUJCESPIWLTQQQ-RPBOFIJWSA-N 452.614 5.245 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nccc3occc23)CC1)c1ccccc1 1827302484 SMNQOBLQZPWSOF-AOYPEHQESA-N 483.612 5.258 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1827515937 KZMNQOUDFMTGOS-YKSBVNFPSA-N 452.639 5.236 30 20 JKED Cc1cccc2[nH]c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)cc12 1827697992 WJILUSDUECPCEU-QFBILLFUSA-N 483.597 5.100 30 20 JKED Cc1cc2[nH]c(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)cc2s1 1827699524 AALQOJUBPICPNL-DYVFJYSZSA-N 489.626 5.161 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1828464131 YSIYGRAHFYAAQG-IXDWGBGWSA-N 491.676 5.163 30 20 JKED CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCC1 1828478329 PEIRUEVLYWYZEO-JOCHJYFZSA-N 475.555 5.391 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cnccc34)CC2)c(Cl)c1 1828655387 LKLAPRLDKZGIHE-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1828830642 VWJPSLSWMAOZRK-RPWUZVMVSA-N 489.701 5.022 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNc2ccccc2C)CC1)c1ccccc1 1829031858 AZHXOBDWORALMZ-PXJZQJOASA-N 485.672 5.224 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cn2)CC1)c1ccccc1 1829033426 WYZHBDIVAUIDRO-RSXGOPAZSA-N 478.036 5.166 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3SCc3ccccc3)CC2)C1 1829490883 ABIGMDXQLILSGH-SANMLTNESA-N 489.685 5.573 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1 1829899994 ZGJKTUBEOAAKQD-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 1830577971 GBYJMOUDZCCFNQ-NRFANRHFSA-N 468.947 5.558 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770588 DAQLSKLEZDVIOP-DEOSSOPVSA-N 480.008 5.076 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830784271 HOTJOBZQFAMDCP-FCHUYYIVSA-N 481.464 5.108 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830828189 QBNMSFGLUHWNHB-NVQXNPDNSA-N 480.052 5.890 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1831446684 FHKQVOSUTOSNSJ-HXUWFJFHSA-N 463.956 5.266 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1831840079 AOPWIAAVICVCLG-OPAMFIHVSA-N 489.479 5.154 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@H]3OCCc4ccccc43)CC2)c1 1832629092 ITMZHDLGJGNZGE-MXUAVAHLSA-N 499.655 5.251 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 1833290384 QZXBLJPWARKXNO-UHFFFAOYSA-N 484.493 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C(C)C)nn4ccccc34)CC2)CC1 1838018625 GTICLHQJCUIJSX-UHFFFAOYSA-N 494.680 5.062 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2cccc(C(F)(F)F)c2F)C1 1845347168 HFKNHHSTPUGVNN-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1Oc1cccc2ccccc12 1847807446 QLDUUUIIWXNVOS-UIOOFZCWSA-N 484.596 5.430 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cccc(Br)c2)cc1 11084552 VPJJYWKPTOGQKL-UHFFFAOYSA-O 468.440 5.967 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 11263452 OBTYQSIWKOVBBZ-UHFFFAOYSA-O 496.700 6.695 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccc(Cl)cc1 12240117 QOQDYSRYTDAVIF-UHFFFAOYSA-N 483.041 5.754 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)n[nH]c1=S 23041817 MOYBHQQKLFKPSZ-UHFFFAOYSA-N 493.458 5.464 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2cccc(CO)c2)cc1 24033694 ADJNEUKRLWVVSL-UHFFFAOYSA-O 485.576 5.416 30 20 JKED C=CCn1c(SCc2csc(NC(C)=O)n2)nc2cc(-c3ccccc3)sc2c1=O 24268039 FPSJWDPREMDKLW-UHFFFAOYSA-N 454.602 5.018 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3Br)c2)c1 302930103 CSDFUWONOPKBSC-UHFFFAOYSA-N 454.711 5.479 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 303199234 HBUPBKLBZSPQTN-UHFFFAOYSA-N 463.734 5.654 30 20 JKED N#C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(OCc2ccccc2)cc1 303241950 KFVXJOKCWAVLHE-DEOSSOPVSA-N 452.514 5.019 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1SC 484278021 HFJJVNBBNFCUMN-UHFFFAOYSA-N 463.515 5.337 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 498318927 GGVLWTKZSYOWAS-UHFFFAOYSA-N 494.425 5.370 30 20 JKED CCOC(=O)c1c(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)sc(-c2ccccc2)c1C 499142604 SDZWYYWGSLWBFE-UHFFFAOYSA-N 463.559 5.061 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc1 499152286 UNYQYECBMPQGTQ-UHFFFAOYSA-N 476.001 5.563 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCc1nc(-c2cccs2)no1 501762026 GBBSVZILYLMLMW-UHFFFAOYSA-N 464.360 5.237 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 505709705 UUKRSPYYHQHNJR-UHFFFAOYSA-N 472.476 5.510 30 20 JKED C=CCn1c(SCc2cc(Cl)cc3cccnc23)nnc1[C@H]1COc2ccccc2O1 505824479 ICTSFTSCUBYLIU-HXUWFJFHSA-N 450.951 5.471 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(F)F)c2)c1 507158061 PFKXMHCKMTVIHU-UHFFFAOYSA-N 476.932 5.911 30 20 JKED C[C@@H]1CCCN(Cc2ccccc2CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 510089002 LMEDQZIBBYWFQY-GOSISDBHSA-N 492.674 5.256 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccccc3CN3CCCCC3)s2)cc1 510229250 GSCDUPZLLSTDFY-UHFFFAOYSA-N 478.647 5.010 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCSc4ccc(Cl)cc43)s2)cc1 510234404 AZLYUJXTPRDBRR-INIZCTEOSA-N 474.036 5.714 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 510657833 LQHGVIAKCFLLRR-UHFFFAOYSA-N 486.547 5.214 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(OCc2ccccn2)c1 511364978 PVSDLVLLPIBJRM-JOCHJYFZSA-N 492.579 6.188 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(OCc2ccccn2)c1 511540005 NQPWEFFDMHHDPG-HXUWFJFHSA-N 491.551 5.667 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C(=O)N(CC)CCC)cc1 511872378 HZLSJHVQBRHAOM-UHFFFAOYSA-N 461.375 5.289 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OCC 513653243 FATCNQBCYJKSQY-OAHLLOKOSA-N 485.993 5.607 30 20 JKED Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513983747 TWRQCBFFRRDFOA-UHFFFAOYSA-N 456.521 5.589 30 20 JKED CC(C)n1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccc(Cl)cc1Cl 514768719 MDYYMIUKUPPZKZ-UHFFFAOYSA-N 460.390 5.825 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1c(C)[nH]c2ccc(Br)cc12 515171512 GPXIXIHRWDPCHF-UHFFFAOYSA-N 475.346 5.787 30 20 JKED N#C[C@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F 515540824 GHVHPVALWDNLNP-GOSISDBHSA-N 454.440 5.169 30 20 JKED N#C[C@H](C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1nc(-c2ccccc2)cs1 515542276 QXPUVORGXURTMF-JOCHJYFZSA-N 463.518 5.096 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)cc1 515801233 DCGKMDCYGOJSOH-UHFFFAOYSA-N 489.959 6.139 30 20 JKED Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)oc2ccccc12 516285378 TZFCEPIGLHDTGE-INIZCTEOSA-N 473.916 5.875 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 518653154 URHVNZLYWSBUSX-INIZCTEOSA-N 476.652 6.483 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccc(C)cc2)cc1 518750379 LQESYIOXXPIAFV-MUUNZHRXSA-N 491.547 5.512 30 20 JKED CSCC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nnc2ccccn12 518753094 GXWGWKNUEWPFSV-OAQYLSRUSA-N 458.547 5.009 30 20 JKED CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)C1(C#N)CCC1 520723978 ICVWHZJMBQKMTE-UHFFFAOYSA-N 486.428 5.297 30 20 JKED N#Cc1ccccc1COc1cccc(CNCc2cccc(NC(=O)C3CCCCC3)c2)c1 520958108 CEEHPHWEUIQBFJ-UHFFFAOYSA-N 453.586 5.946 30 20 JKED N#C[C@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(Cl)c1Cl 521292968 BZSAHQLRHCLVEV-INIZCTEOSA-N 470.303 6.059 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1 521728455 CKBAIGDSMMJXAL-UHFFFAOYSA-N 471.582 5.126 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 521796030 GRTPBNMFSVLNTA-IBGZPJMESA-N 456.546 5.272 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 591614995 YHFGXORUTIQAQT-FQEVSTJZSA-N 485.487 5.621 30 20 JKED O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 594261541 WONKHRCOOWXXPG-PAPYEOQZSA-N 472.401 5.415 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccccc1SC[C@@H](C)C#N 594689998 LPKCZDBEHVPPJP-AWEZNQCLSA-N 461.381 5.311 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)s2)cc1 603566784 BSRLAVXIHPLOSJ-FQEVSTJZSA-N 485.396 5.156 30 20 JKED C[C@@H](c1ccccc1)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1 603917238 IFWHEMYSGNXVFV-LEWJYISDSA-N 499.615 6.121 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 604007747 YCPKYTATIWJDKU-FQEVSTJZSA-N 469.526 5.190 30 20 JKED COc1ccc(NC(=O)CSCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604026870 KKSHGPPKDKVVMY-UHFFFAOYSA-N 481.961 5.323 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604362483 LMZPWYRMBPJFDO-HZPDHXFCSA-N 485.428 6.690 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Cl 608804955 OJEAOUDSHVUEJC-UHFFFAOYSA-N 465.937 5.554 30 20 JKED CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2F)c1C#N 609031717 UJWSEDDEORBKFO-IFZYUDKTSA-N 457.546 5.181 30 20 JKED Cc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n(-c2cccc(Br)c2)n1 609056518 BLCXNYPYCLXJPG-UHFFFAOYSA-N 477.318 5.239 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)cc2)c1 609077549 ZGRSUVQRJLAUQB-UHFFFAOYSA-N 451.313 5.273 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 609081484 YPAXQFNXBKACGF-UHFFFAOYSA-N 483.490 5.837 30 20 JKED N#C[C@H](NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccc(OCc2ccccc2)cc1 609174042 FOWZHLPEPZHNJN-NRFANRHFSA-N 487.357 5.413 30 20 JKED CSCC[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nnc2ccccn12 609209163 TVMMMKWFKYYRMT-NRFANRHFSA-N 458.547 5.009 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 609369582 DZJOVSWMOJAOHO-CQSZACIVSA-N 458.012 5.261 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609378488 OSJUBRBPPCXYQU-OAHLLOKOSA-N 481.565 5.719 30 20 JKED N#C[C@H](C(=O)c1occc1CSc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 613320121 RQXOISRSEXIPML-LJQANCHMSA-N 450.972 6.839 30 20 JKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2cnn(C(C)C)c2n1 613404024 MVNKUMZKUCZTOT-OAHLLOKOSA-N 471.508 6.254 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccc(Cl)cc1 617896078 JEXFDDUDNZSENI-HNNXBMFYSA-N 470.982 5.065 30 20 JKED Cc1ccc(Cc2cnc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)cc1F 618539073 UKQMIPXPUPFKCI-CHWSQXEVSA-N 469.426 5.776 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485407 MVUOSFLLPDWNFB-VFZGTOFNSA-N 475.355 5.604 30 20 JKED N#Cc1c(CCCNC(=O)Nc2cccc(Cl)c2SC(F)F)nn(-c2ccc(F)cc2)c1N 726079120 OYRSADPFYSUWNR-UHFFFAOYSA-N 494.930 5.188 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 726410089 BNZYQLOXZFARQP-NRFANRHFSA-N 463.559 5.029 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)cc1F 726413508 YCHZGHXKMDILNK-QRQCRPRQSA-N 499.539 5.158 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)Cc1ccco1)c1cccs1 726418707 FCNSGWIXJHSYFW-SFOXRFKQSA-N 485.606 5.501 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@@H](C)c1cccs1 726423190 ZROOZUCEIGUHBY-XDMSLFARSA-N 494.082 5.525 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCc3nccs3)C2=O)c1 726423387 ZBSDSVWYXHXFFJ-GKORUVCRSA-N 498.699 5.454 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)[n+]2ccc(C(C)(C)C)cc2)c1 726573004 VAXRJYKTGCHORS-UHFFFAOYSA-O 483.682 7.099 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 726691896 MZZSLZYKGDMVFW-UHFFFAOYSA-N 478.810 5.198 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=S)Nc3ccc4c(c3)OCCCO4)cc2Cl)cc1 727279103 XXEIOKYNLNOYFC-UHFFFAOYSA-N 451.935 5.974 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)NCCc2cccs2)cc1 727814843 RETVNCPRKHISOA-UHFFFAOYSA-O 480.679 5.184 30 20 JKED COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 728028959 QVPGQLJVGJTOQG-UHFFFAOYSA-N 491.547 5.959 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 728109757 CVOAQSBGFBFTPA-KRWDZBQOSA-N 474.513 5.143 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1c(Cl)ccc(C)c1Cl 728430411 SVEVJXCTQORDNG-QGZVFWFLSA-N 496.416 5.299 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl 728766651 FBGWGCADMORAJE-ZDUSSCGKSA-N 492.413 5.088 30 20 JKED N#C[C@@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nc2ccccc2n1C(F)F 729892173 SIYZERXSPADHMG-NSHDSACASA-N 480.721 6.552 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)c(OC)c1 730461838 IQVZYYRKAWPFKP-HSZRJFAPSA-N 497.617 5.004 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O)Nc1ccc(F)c(Cl)c1 730717065 DJMWASUFLCQJHQ-SFHVURJKSA-N 493.347 5.281 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)N3CCCSC3=Nc3ccccc3)CC2)c2ccccc12 732621218 CRLHRQZINNEIRZ-UHFFFAOYSA-N 487.625 5.354 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1cc(Cl)cc(Cl)c1 745990842 JQFVCNZCQJINSQ-LJQANCHMSA-N 494.400 5.157 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)cc2)n1 747244211 CZLHGUDIADSUMU-UHFFFAOYSA-N 487.604 5.139 30 20 JKED COc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1OCCCC#N 747361688 WJPRNUWMLOUHIV-HAVVHWLPSA-N 452.510 5.414 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1CC(F)(F)F 748033611 KVNLUSZCWOVHEK-QGZVFWFLSA-N 488.535 5.548 30 20 JKED O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1 751315774 CHVBNUSUSUZXSF-UHFFFAOYSA-N 497.393 5.216 30 20 JKED Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2ccccc2N/C=C\C(=O)C(F)(F)F)o1 784764148 AJRLCWKBPPNDJG-QXMHVHEDSA-N 498.417 5.114 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccccc2F)C1=O 837299247 FHSCMYDOKMJPDD-QHCPKHFHSA-N 477.561 5.303 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 838392139 RKJCNYOUEIFEJF-QVKFZJNVSA-N 499.423 6.110 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1OC 838504963 ZHSHTTAELOSBQQ-KRWDZBQOSA-N 466.390 5.372 30 20 JKED Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 875063983 SIMROPCIGWJERP-UHFFFAOYSA-N 452.539 5.419 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(Cl)cc2)cc1 912825382 WOJKUJMUBFGCNJ-UHFFFAOYSA-O 467.014 5.666 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694543 NKKBZIRCJDMBOT-OPAMFIHVSA-N 481.549 5.019 30 20 JKED CCOC(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 915102510 VHSUXAWMQISUTQ-SWLSCSKDSA-N 452.363 5.162 30 20 JKED Cc1ccc2sc(-c3ccc(N(C(=O)CSCC#N)C4=NCCCS4)cc3)nc2c1 915145121 ZWEHGGJUPASLRP-UHFFFAOYSA-N 452.630 5.354 30 20 JKED O=C(Nc1ccccc1SC(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 915319184 ITMLLVUOLQACMX-UHFFFAOYSA-N 453.383 5.051 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 915751245 CTZLEOSUHLBKGW-FCHUYYIVSA-N 461.974 5.287 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(COc2ccccc2OC)o1 915823061 CVYSZRYFSCKIRM-UHFFFAOYSA-N 472.291 5.119 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C[C@@H]1CCCO1 916206954 VYPDVKKTMKLVBZ-YWZLYKJASA-N 493.963 5.066 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(C3CCCC3)C2=O)c1 916209046 CXJYKWOXJBJIQR-OAQYLSRUSA-N 488.009 5.260 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccc2)C1=O 916212530 OKZISOFAUVPZEG-JOCHJYFZSA-N 479.989 5.509 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)cc1 916214555 OKRULCWLQAOGMT-LJQANCHMSA-N 479.524 5.474 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)Nc1cccc(OCC#N)c1 916409768 NXEUZNQHBSNNBV-HNNXBMFYSA-N 476.583 5.227 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cn1 916681739 XUSMBTHAIOTKBC-XMMPIXPASA-N 494.551 5.868 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916911092 VKMKGHWOEXMRPQ-SFHVURJKSA-N 459.552 5.554 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928671 QRUCSJZBABBXIG-ZDUSSCGKSA-N 460.144 5.807 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 916929989 GPAMFDHVUGPVOD-QGZVFWFLSA-N 464.934 5.019 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)O[C@H](C)C2 916944725 LPQMJRRNFOLQKD-UXDCPWGTSA-N 459.329 5.076 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 916947689 PLYUIKDOBVIXIP-UGSOOPFHSA-N 452.605 5.261 30 20 JKED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042960 IJGZGQHSWNEEMV-AEFFLSMTSA-N 489.519 5.627 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(OCc3ccccc3)c2)cs1 917560677 VPBUMNVBHZYSSN-NTCAYCPXSA-N 488.996 6.956 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 917703007 YHWSLXLQIDMOBM-HSZRJFAPSA-N 479.577 5.366 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@H](C#N)Cc2ccccc2)cc1Cl 917900116 YPMJLULQTPKPTC-BJLUOBIUSA-N 480.014 6.022 30 20 JKED C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 919089086 YKJUJTVYXBDNKG-CYBMUJFWSA-N 460.317 5.634 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccccn2)c1 919985383 NZQUYMDFXKLSKI-UHFFFAOYSA-N 490.412 5.042 30 20 JKED COc1ccc(OCc2nc(/C=C3/COc4c(Br)cccc4C3=O)cs2)cc1 920067399 YDVHTVOHVQPJBF-LCYFTJDESA-N 458.333 5.152 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc4c(c3)OC(F)(F)O4)c2)cc1 920073182 DFUGRMASRWBFCH-UHFFFAOYSA-N 453.470 5.462 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 920140652 GBHXTBMYQPWYJP-LJQANCHMSA-N 473.945 5.584 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cc(C)on3)C2=O)c1 920352588 QANZZKRAHPRPAH-JOCHJYFZSA-N 476.602 5.377 30 20 JKED Cn1cc(C=NNc2ncnc3sc(-c4ccccc4)cc23)c(-c2ccc([N+](=O)[O-])cc2)n1 920362658 HSHPQANUDMPJGP-UHFFFAOYSA-N 455.503 5.113 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(C)C)ccc1Cl 920466690 MXRBXILLVQJSAX-FQEVSTJZSA-N 481.445 5.635 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)cc1C 920892209 JPZQQHFXYLNQFG-KRWDZBQOSA-N 467.472 5.110 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(=O)n(Cc5ccco5)c(S)nc4c3)cc2)cc1 921035631 VLEWOENIAATBRQ-UHFFFAOYSA-N 494.532 5.243 30 20 JKED CCOc1ccsc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649362 JOZRQHDVRLSCLM-ZHACJKMWSA-N 480.611 5.395 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788738108 LRWYZHPPJINBPB-DEOSSOPVSA-N 469.585 5.069 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(CNC(=O)OC(C)(C)C)c(C)c3)cc2)CCC1 1790065726 NZZMWLAJOVWBOO-UHFFFAOYSA-N 477.605 5.344 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(=O)c5ccccc5o4)CCC3)cc2)c1 1790795283 PQZXQJKHSQRMRU-UHFFFAOYSA-N 477.520 5.035 30 20 JKED C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1)c1ccccc1 1791340680 ZZICFABWQBKUSO-LJQANCHMSA-N 477.568 5.376 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cc(F)cc(F)c1)C2 1792572025 YHWYZRHJYPAUGP-KOUNCHBCSA-N 467.560 5.271 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(-c2ccccc2)s1 1798948855 IUNDRFODVCIHKS-KOUNCHBCSA-N 479.722 5.113 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCC(C)(C)C)C2 1800131927 NCSPFUYFLPUKOY-KAOXLYBCSA-N 491.717 5.481 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 1802491032 FLGBLUCYRXPPQN-KVZCNWPJSA-N 463.597 5.023 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccccc4Oc4cccc5ccccc45)CC3)C2)C1 1804785825 WDBBEEIODDGTNI-UHFFFAOYSA-N 494.635 6.443 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(N)c(Br)cc3C)CC2)C1 1804859258 OBTJIDFMUIOUQE-UHFFFAOYSA-N 490.486 5.177 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)CC2)C1 1806016047 MFAURSZINATFHR-UHFFFAOYSA-N 492.635 5.244 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1806067213 KVMJCQMGEAIEKE-XMMPIXPASA-N 464.631 5.385 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1808488123 SILBPFJYZYFJGT-RLWLMLJZSA-N 475.976 5.118 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1808887455 CDSVBPPPGZARJB-GSLIJJQTSA-N 451.655 5.462 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#Cc2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1cccc2ccccc12 1808976569 QPVJOJGTCSQYMP-FUFSCUOVSA-N 493.994 5.260 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4cc[nH]c4cc3Cl)[C@H]2c2cccnc2)c1 1809403359 SRFQZYYSSJUEPH-QFQXNSOFSA-N 497.986 5.030 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc3[nH]ccc3s2)[C@H]1c1cccnc1)c1ccccc1 1809464722 LIWIYRZDQJFSPU-VMODYCNZSA-N 496.636 5.141 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811439861 YJALNWOUOGRDTF-KCWPFWIISA-N 489.616 5.127 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1 1811997114 FQDWCHLQPRUVNL-YKSBVNFPSA-N 493.394 5.202 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1813052135 CEXNNHZUVCWVGS-QABMSTFYSA-N 492.623 5.333 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1813227163 PMVNRTCGVZDTKM-CLOONOSVSA-N 480.033 5.463 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813967052 HRKXXGUZEMQBTJ-UGKGYDQZSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C23CC(c4ccccc4)(C2)C3)[C@@H]1c1cccnc1 1814286504 GQUVLERVWPOQSH-ZYKLVTIJSA-N 471.645 5.202 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1814303344 POSDIMPMZBEWOS-MXBOTTGLSA-N 481.640 5.375 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](c3ccccc3)N(C)Cc3ccccc3)[nH]n2)C1 1814397303 MGQPNZGQNVHMHG-IAPPQJPRSA-N 497.643 5.241 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3cccc(Br)c23)n[nH]1 1814949402 AZJSAURIPWLGRJ-FOIQADDNSA-N 498.425 5.101 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1815656893 LSRSUTOUYXCGEP-KRWDZBQOSA-N 497.846 5.051 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815657044 VVSBUTRLQYNAOB-QFIPXVFZSA-N 476.602 5.427 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1 1818441545 WZJFNYJZKIXZSR-VWLOTQADSA-N 478.556 5.235 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)n[nH]1 1818918796 AITNULJAXTWWQA-FQEVSTJZSA-N 485.426 5.252 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)[nH]n1 1819307013 LVWDNUCWRBHGQX-PBHICJAKSA-N 462.381 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1819308952 JAEDQOMYLCMEGJ-YKSBVNFPSA-N 497.599 6.225 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)[nH]n1 1819309383 UEZRTBJOHDIAIO-UKILVPOCSA-N 475.637 5.474 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1819310066 OUQVHQQWAFFGNZ-LAUBAEHRSA-N 492.517 5.571 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820231217 DJQTZIYCGIZBST-QGZVFWFLSA-N 462.884 5.327 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2noc(-c3ccccc3)n2)n[nH]1 1820674030 QWRXOQYXNFUMOM-OAQYLSRUSA-N 490.608 5.077 30 20 JKED C=CC[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c4ccccc4n4ccsc34)sc2C1 1821191018 IZXZJIKEMRRYFE-CABCVRRESA-N 464.616 5.049 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821278443 QFOKDKNVMCHUNB-NRFANRHFSA-N 498.370 5.216 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@@H](S)C(C)C)[nH]n3)sc2c1 1821524318 BGFUHKFZMIRCEJ-UWJYYQICSA-N 456.637 5.193 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CC[C@H](C(C)C)CC3)n[nH]2)c1 1822104181 KOQNFLGPIYEDSA-SKPFHBQLSA-N 477.609 5.058 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)Cc3cccc(Br)c3)n[nH]2)C1 1822247671 KJDXSLKFDSSFNN-HRAATJIYSA-N 485.426 5.009 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1F 1823210540 HBKIHZBTHOLESX-KBMIEXCESA-N 487.579 5.423 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[nH]n2)CCC1 1823382104 XIIRGRWUPWTEBW-INIZCTEOSA-N 480.783 5.370 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(F)CCCC=C2F)n[nH]1 1823584963 OLQAEEDAHBAQFI-YADARESESA-N 476.644 5.199 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)cc2c1 1823682763 BKIPRBQHZNQGNP-NDEPHWFRSA-N 482.628 5.214 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)cc1 1823683567 NYSPNONUKIYCGW-XMMPIXPASA-N 486.641 5.034 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1823810528 QRJATBDLDZOIGV-VHYCJAOWSA-N 489.582 5.089 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1 1824051686 XNKXPMIITPKCRB-AREMUKBSSA-N 496.026 5.146 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053420 XSTSVZMCOGKSOC-HYBUGGRVSA-N 495.714 5.353 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824503493 CLHHGQNLJXJYNC-ZPZUNKDASA-N 475.073 5.290 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1824538622 MWEJIMLTGMSVTP-XZOQPEGZSA-N 460.684 5.052 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc(C(F)F)c3)CC2)c1 1825406689 PIMHFMMWIADGLE-HOYKHHGWSA-N 480.559 5.193 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)sc2c1 1826202363 FZQGVDURHCXFKE-QHCPKHFHSA-N 490.604 5.163 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827772514 APPBNOKIJWNHJI-QFIPXVFZSA-N 495.662 5.318 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)CC2)c(Cl)c1 1828044722 ZRYSRPZUVGGVBN-RUZDIDTESA-N 474.992 5.240 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)ccc2n1 1828233305 COIBCKBGUFHMLU-PBBNMVCDSA-N 494.639 5.717 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1)C(F)(F)F 1828400376 INHHJFLPPLMHGP-HBMCJLEFSA-N 468.947 5.182 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1828827570 XXNWIIRHVBEVKC-AZUAARDMSA-N 451.533 5.035 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1828829702 LQGPEAMOUSTMMB-SMIHKQSGSA-N 489.701 5.068 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1828906270 DEVXCCMQZSUNGV-VWLOTQADSA-N 478.709 5.717 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cncc(C(F)(F)F)c3)CC2)c1 1829418869 DFSWQRRBUGCUSF-KOSHJBKYSA-N 498.549 5.275 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC4CC4)c(F)c3)CC2)cc1 1830016703 MGVBSJKTBTZIAR-SANMLTNESA-N 489.591 5.033 30 20 JKED COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc(C(F)(F)F)c1 1830017240 VUYJWMSPWBDQTF-XMMPIXPASA-N 499.533 5.133 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830409188 ZSMNVYMXKAIWHF-VWLOTQADSA-N 488.713 5.482 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830662200 MTCLFKCTLQSLGN-HSZRJFAPSA-N 495.035 5.094 30 20 JKED Cc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755227 UEHWPRAABWDWKU-OAQYLSRUSA-N 489.563 5.494 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831060821 GWOLDTHIYJQWIL-DYESRHJHSA-N 469.607 5.255 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)CC1 1831859575 DERDFJGFADZPMX-HSZRJFAPSA-N 469.626 5.151 30 20 JKED COc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832595730 YPUFEJFKHRQCBM-AFMDSPMNSA-N 477.580 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)CC1 1838261786 NAFLPEVJSXDRDN-VWLOTQADSA-N 485.068 5.139 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)CC1 1838424063 IMBWDGMUPUZFPC-UHFFFAOYSA-N 461.046 5.253 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCCC12CN(C(=O)CCCC#C[Si](C)(C)C)C2 1845046692 RKFMUAHCSIWPSV-UHFFFAOYSA-N 490.720 5.252 30 20 JKED C=CCn1c(SCC(=O)N(CC#N)c2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8649222 UGGFUBFTKNSHCB-UHFFFAOYSA-N 486.622 5.268 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc(C#N)c2)NC(=O)N1c1ccc(C)cc1 10353241 XPIMKKKSXQHTKK-DEOSSOPVSA-N 490.485 6.069 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 10831227 ILQXSWJVECWGIS-UHFFFAOYSA-O 462.038 6.046 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(CO)c1)c1ccc(F)cc1F 10836741 NGAADIMNTACVMZ-UHFFFAOYSA-O 468.332 5.102 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2scc(-c3cccs3)c2c1=O 11382198 GWJPOECLHQAOCM-CQSZACIVSA-N 453.614 5.492 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C(C)C)n2Cc2ccco2)n(C2CCCC2)c1C 11642109 XGECXALDULIVIB-UHFFFAOYSA-N 466.611 5.179 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc(C(C)(C)C)cc2)cc1 22732043 ICAXZAORPIVOKB-UHFFFAOYSA-O 461.651 6.284 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)n2)n[nH]c1=S 23041905 AQNPSPLHMXODIZ-UHFFFAOYSA-N 467.551 5.358 30 20 JKED COc1cccc([C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)N2CCCC2)c1 32042288 XQHYIJGYGDGSFR-XMMPIXPASA-N 457.599 5.285 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)c2)c1 32291692 DZCWLEDGSJSIFK-UHFFFAOYSA-N 495.510 5.546 30 20 JKED C=CCn1c(SCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)nc2ccccc2c1=O 32323855 GLNFMMBCUYOOBQ-UHFFFAOYSA-N 462.596 5.016 30 20 JKED CCCCCN(Cc1ccc(F)cc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 33042337 DCGDDTMORNAPGM-UHFFFAOYSA-N 464.541 5.381 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 248016946 KSASUONQVPERKQ-UHFFFAOYSA-N 466.290 5.347 30 20 JKED C[C@@H]1[C@@H](n2c(SCC(=O)Nc3sccc3C#N)nc3ccccc3c2=O)CCC[C@H]1C 248148036 IJKOKEMPPXDWRT-VCBZYWHSSA-N 452.605 5.058 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 255929614 ISUUOEYPXSYEQT-SFHVURJKSA-N 457.559 5.438 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 302945295 KZTNINPFPXPIEG-AREMUKBSSA-N 496.032 5.404 30 20 JKED C=CCn1c(-c2sc(NC(=O)CCc3ccccc3OC(F)(F)F)nc2C)n[nH]c1=S 303202424 OVEKAQYEVZZYOF-UHFFFAOYSA-N 469.514 5.029 30 20 JKED Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1-c1ccccc1 303298309 OCLFQLBEWJNQKH-KRWDZBQOSA-N 489.626 5.961 30 20 JKED C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491062125 QHZRDEBLXCLKGJ-MRXNPFEDSA-N 491.034 5.162 30 20 JKED C[C@H](Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 501968183 KFTYNMHSWIAZBZ-IBGZPJMESA-N 498.652 5.460 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(c3ccc(Br)cc3)CC2)cc1 503270523 SZUARRSYVMCSDE-UHFFFAOYSA-N 454.368 5.074 30 20 JKED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 503721381 BFYJYBWOWCMWIL-QGZVFWFLSA-N 476.608 5.050 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1C 505508641 WNXVWVWYQKFAQV-KNQAVFIVSA-N 452.480 5.385 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 508145096 SDYFTKVMSFZJFO-UHFFFAOYSA-N 452.514 5.265 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 512265616 QKDAQMYJSYWAQV-CYBMUJFWSA-N 485.300 5.337 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(Cc2cccs2)C(C)C)c1 512693875 QIEXJASXTFYTRU-UHFFFAOYSA-N 489.062 5.834 30 20 JKED Cc1ccc(O[C@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c(Br)c1 514029097 NJJUOPRTZDVYSX-CQSZACIVSA-N 456.365 5.083 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@H]1c1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 515592120 FHCXKDDJDLYEMH-HXUWFJFHSA-N 472.492 5.599 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 517686832 JAKYDTANSMQDNM-NRFANRHFSA-N 478.552 6.516 30 20 JKED CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3SCCC#N)CC2)cc1 518120200 JIIXIPKLHNIPBS-UHFFFAOYSA-N 485.675 5.029 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 520429140 HVDMIKIPSJSZQI-INIZCTEOSA-N 467.522 5.922 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1cccc(Cl)c1 520431261 AZFOLZGNDDKEDW-OAHLLOKOSA-N 454.889 5.726 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 521082619 LWYYUFVOJMQIBE-UHFFFAOYSA-N 458.389 5.311 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)o2)cc1 524415854 WUAMQEHQKWNXQC-UHFFFAOYSA-N 461.905 5.545 30 20 JKED Cc1ccccc1Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 524676253 MSQUFXXZVCQVNV-SFHVURJKSA-N 459.571 5.294 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2cccc3ccccc23)CC1 553337181 AGOODVNKJQQPKP-LJQANCHMSA-N 457.599 5.579 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(COCC(F)(F)F)cc3)c2)cc1 557085941 WRNOVVGTSXLFMM-UHFFFAOYSA-N 455.436 5.751 30 20 JKED Cc1sc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)c(C#N)c1C 603444801 FFVAQQOPAWXLJZ-UHFFFAOYSA-N 470.337 5.596 30 20 JKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2sccc2C#N)c1OC 603563629 NQLYMIHFNMOBCW-PEZBUJJGSA-N 467.550 5.924 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 603601118 QAPZPDCZARCYOZ-UHFFFAOYSA-N 499.577 5.193 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 603601386 ZTMUHBBVPJXNPT-UHFFFAOYSA-N 497.555 6.213 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1Cl 603623303 RNGIVTKCZOCPMG-UHFFFAOYSA-N 476.949 5.019 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 603739816 HJPLGDZSBYAUTB-UHFFFAOYSA-N 479.496 5.827 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC(F)F)cc1 604142501 PACASAQGKRKPMS-QVKFZJNVSA-N 483.902 5.413 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)c1 604288598 GPXXDMZEQMMQBU-KDURUIRLSA-N 498.423 5.468 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)cc1C 604482530 MQFVTBLZIPUNSM-QFIPXVFZSA-N 467.617 5.136 30 20 JKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 608895379 FJTPFCPRPQHMFM-UHFFFAOYSA-N 454.580 6.211 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)o2)cc1 609058108 UXZOZPJHDIYJCX-VWLOTQADSA-N 480.499 5.390 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)o2)cc1 609059757 WKGRBGREEJHTNZ-UHFFFAOYSA-N 457.530 5.179 30 20 JKED N#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1ccc(OCc2ccccc2)cc1 609172637 ABSCCZGOMKCMIM-BKMJKUGQSA-N 486.547 5.030 30 20 JKED C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 609221897 JJQOYYQVDSXROU-GOSISDBHSA-N 482.565 6.103 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1ccccc1 609403035 MSIBCPZOYYJTBT-IBGZPJMESA-N 461.587 5.848 30 20 JKED C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)C1 613406883 ADLCHNLIAFCDQU-KHYOSLBOSA-N 488.034 5.106 30 20 JKED Cc1c([C@@H](C)NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 618553499 DCACABXFZXRXPM-BNOWGMLFSA-N 466.401 5.153 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(CC[C@@H](C)OC)C1=O 726391606 AWMHUUFULCESQU-JPYJTQIMSA-N 483.634 5.204 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(F)cc1 726398297 KNTDBSMMYPVBQH-YJYMSZOUSA-N 481.952 5.004 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1=S 726593041 XBGFNDJSKJBPIM-IBGZPJMESA-N 494.571 5.432 30 20 JKED CCOc1cc(/C=C\C(=O)c2sc(/C=C\c3ccc(O)c(OCC)c3)nc2C)ccc1O 726847486 BHPRWWRBBPIMEL-JMVBYTIWSA-N 451.544 5.727 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 726940125 JIANQIZYPPJCOG-UHFFFAOYSA-N 462.347 5.570 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)cs1 727267618 LVBJMUOYJKGFRJ-XFXZXTDPSA-N 498.004 6.948 30 20 JKED C#CC[C@H](OC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)c1ccccn1 727772821 HKHPQIRAKZDTBX-QFIPXVFZSA-N 474.582 5.123 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(N4CCc5sccc5C4)cc3)o2)cc1 727993733 VHUVKSLRAOJKGC-UHFFFAOYSA-N 455.539 5.607 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 728390405 KJEBGASDVCSDLL-KSFYIVLOSA-N 458.949 5.397 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)c1 728777783 ONFAMKSPCCHDJI-OAQYLSRUSA-N 469.010 5.611 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(CCCCC#N)C2=O)cc1 728778671 UIDPZHBMMPPSOU-HSZRJFAPSA-N 478.618 5.356 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3scnc3C)C2=O)c1 729144481 CRGJHIOVDYZZAM-OAQYLSRUSA-N 489.626 5.101 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1Cc1scnc1C 729146306 QWVZTKFUCVGVSU-OAQYLSRUSA-N 494.642 5.183 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)c1 729634404 LUOIXAUKFJOAEU-DEOSSOPVSA-N 472.614 5.476 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 729891102 BSMHLBZDYNHTLV-CYBMUJFWSA-N 467.761 5.509 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730459909 OVXNQZVVNRLISV-SFHVURJKSA-N 467.900 5.270 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2n1C(F)F 730689216 BLFDBAACFUAXJO-OPAMFIHVSA-N 469.850 6.220 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1 730718401 IZZORCMMIIQRMS-DEOSSOPVSA-N 484.581 5.551 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730719683 HVFXQDBFDFFOMT-SFHVURJKSA-N 475.357 5.142 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@@H](C)c3cccnc3)C2=O)c1 730945186 PGNKYGQPHCFSAE-SBUREZEXSA-N 492.576 5.259 30 20 JKED C#CCOc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)c1 730975654 IGCWUEJMOTVOID-UHFFFAOYSA-N 488.775 5.223 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C[C@H]1CCOc2ccccc21 731153043 WNAWUYZKXFRGHC-CJFMBICVSA-N 496.592 5.085 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(Cl)cc2)o1 731306213 LFNLIPZFLUAVIN-NRFANRHFSA-N 483.977 5.150 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCC1=CCCCC1 731309282 RFAASMXDVSAZRP-HSZRJFAPSA-N 479.602 5.252 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)c1 743523674 BCOMWFCZRZURHC-DEOSSOPVSA-N 490.604 5.349 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 743526620 WARLZGVFZRXVRB-JOCHJYFZSA-N 471.598 5.138 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCc2nccs2)C1=O)Nc1ccccc1F 747600250 OQSGNZIPEJLCSQ-GOSISDBHSA-N 488.997 5.139 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2c(C)cccc2C)n1 748034541 CRBRERKBAUHVQS-OAQYLSRUSA-N 492.576 5.007 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)s3)o2)nnc1-c1ccccc1F 748357347 AMFWLSSILLJUKV-UHFFFAOYSA-N 478.372 5.437 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 749469165 BRGWLHXBDQRKQK-UHFFFAOYSA-N 450.907 5.139 30 20 JKED CC(=O)Nc1cc(F)c(F)cc1NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 751194318 NCUXHKNIZQVDJI-IHWYPQMZSA-N 452.301 5.613 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccsc2)[n+]2ccc3c(c2)CCCC3)C=C1 790116613 DMCOEZONRGITPB-UHFFFAOYSA-O 450.609 5.008 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2ccccc2)N=C1C 798149118 RZPYRSWISGIUAL-UHFFFAOYSA-O 460.501 5.311 30 20 JKED N#CCCN(C(=O)COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1cccc(Cl)c1 913252301 MQPZOLQBHNKQBJ-VWLOTQADSA-N 486.959 5.137 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CC)ccc1Cl 914527933 LXBUSUSAMAYQPD-OAHLLOKOSA-N 455.407 5.245 30 20 JKED Cc1c(C(=O)O[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)sc2nc(C(F)(F)F)ccc12 914679683 GVTIVQPDFKFLGX-ZCFIWIBFSA-N 498.351 5.503 30 20 JKED N#C[C@@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc(-c2ccc(Cl)cc2)cs1 915101996 PMGNXSAXKLQZQH-IBGZPJMESA-N 477.929 5.564 30 20 JKED CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102932 LJAQEUZHTHEXQI-LQKSQIRFSA-N 486.641 5.016 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1 915199426 AZQADUGJHDYVPH-WMZHIEFXSA-N 474.358 5.096 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1cccc(C(F)(F)F)c1 916205529 PIUAPZFWUVDFJS-FQEVSTJZSA-N 484.503 5.261 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1Cl 916219223 SODXMUPDWMIZHS-HSZRJFAPSA-N 458.949 5.444 30 20 JKED COc1cc(C=NN(Cc2ccccc2)Cc2ccccc2)ccc1OC(=O)c1cccnc1 916367825 QBQLTECFYXLBSE-UHFFFAOYSA-N 451.526 5.346 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OCc1cscn1 916886995 LJLCANXXBHNYEH-KRWDZBQOSA-N 489.525 5.007 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OCC(F)(F)F)cc1 916911022 UTAVWRBOZKFKCT-LJQANCHMSA-N 454.404 5.381 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1Cl 916939144 PRDGXHHVZQFCPB-INIZCTEOSA-N 490.368 5.307 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916941880 BAYYIQLVXBWTFU-AWEZNQCLSA-N 456.310 5.824 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2n1C(F)F 917040295 KMTXWKBDPLLSKZ-HGPCXVNDSA-N 453.901 6.703 30 20 JKED N#C[C@@H](C(=O)C1(c2cccc(Br)c2)CCCC1)c1nc2ccccc2n1C(F)F 917041204 QWGQAHUNWHAXIA-INIZCTEOSA-N 458.306 5.882 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H]1CCN2CCC[C@@H]2C1 917658509 IYBVZYOLEJLPQE-DNVJHFABSA-N 494.636 5.030 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1Cc1ccco1 917702313 FYSSOCFCSKHHIQ-FQEVSTJZSA-N 498.486 5.331 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)o1 917703617 NSYWGUUFKGFEFZ-QATBIIFWSA-N 484.581 5.435 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(C[C@@H]3CCCO3)C2=O)cc1 917712864 IKRWKUMCZDKACW-BJKOFHAPSA-N 493.629 5.152 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(C)C)c1 917713407 KUVUZRLIHRNUAA-QHCPKHFHSA-N 481.618 5.009 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccccc2SCc2ccco2)c1 918165052 JVRMVXFMUTWRCA-PNHLSOANSA-N 497.642 5.417 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 919666704 LYCDTIYCGWXQRR-DEOSSOPVSA-N 471.520 5.108 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 919692439 LFQDLWQUVRCCSN-OVTQYCMBSA-N 451.954 5.056 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](NC(C)=O)c3ccc(Br)cc3)n2)cc1 920140579 AHONEVRKHJONLO-UXHICEINSA-N 498.402 5.025 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1F 920173383 RAAXEITYYPZYRP-HSZRJFAPSA-N 492.551 5.009 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(F)c(Br)c1)c1nc(-c2c(F)cccc2F)cs1 920807049 WPMVTKVOTMBYFV-NSHDSACASA-N 451.267 5.409 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)cc1C 920891530 AISFFMAWGHKTBS-KNQAVFIVSA-N 476.602 5.051 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1CSc1ccccc1)C2 1781741497 XXHMZQVXAXQQTA-HTVKSSQMSA-N 492.685 5.319 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)cc1 1785788085 LEXFXGNDMCUNQK-UHFFFAOYSA-N 479.367 5.516 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)NC(=O)c4ccc(Cl)s4)CCC3)cc2)C1 1785808101 OMWAZZJZMMGUKV-UHFFFAOYSA-N 486.037 5.010 30 20 JKED Cc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)n1 1785824115 MWMKNMUGPCKUEY-JQIJEIRASA-N 464.569 5.042 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](C#CC)c3ccc(O)cc3)CCC2)cc1 1786369889 ARLIGBOLTIVUAD-HSZRJFAPSA-N 474.601 5.006 30 20 JKED CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1)N(CC)CC 1786450087 HNDGWXHVFAUVNO-NBGIEHNGSA-N 460.622 5.182 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(OC)c3)CCC2)cc1 1786679425 FVHWQIPYJQEEEC-UHFFFAOYSA-N 489.435 5.125 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(OC)c3)cc2)CCC1 1788358288 XSWKOWVPXQGSOW-UHFFFAOYSA-N 467.569 5.308 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nc[nH]c45)cc3)CCC2)cc1C#N 1788431608 USZQBVZZRHUKIR-UHFFFAOYSA-N 493.567 5.283 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc[nH]c5nccc4-5)cc3)CCC2)c(Cl)c1 1788457636 MJXMLTXGLVZTCA-UHFFFAOYSA-N 469.932 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C)c4ccccc34)C[C@@H]21 1788737688 LYKDGCHDQOIZSK-YGPDHOBYSA-N 476.661 5.053 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788803544 HZXYTBJYMMTKDH-DEOSSOPVSA-N 469.585 5.069 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cncn5c4)cc3)CCC2)c1 1789367636 NIXKKBKWLYFGNZ-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789622778 XKERROJELIUYOM-VJBMBRPKSA-N 495.664 5.511 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789991330 JVLGFCJFRKADDH-DEOSSOPVSA-N 488.613 5.525 30 20 JKED CC(=O)Nc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c1 1790083355 DGABEQAIBAITIS-UHFFFAOYSA-N 486.959 5.232 30 20 JKED COc1c(Cl)ccnc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1790142885 KHNIWDFHXDFWQT-UHFFFAOYSA-N 498.099 5.542 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)CCC1 1790588182 JETCPNJCEARLEM-UHFFFAOYSA-N 480.568 5.236 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccccc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205935 ATBOVAXKSHGEDO-HSZRJFAPSA-N 477.605 5.294 30 20 JKED COC(=O)CCCCCCCCCCC(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1792342806 UGCSQURSPCAFDM-UHFFFAOYSA-N 469.626 5.498 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)cc1 1792479854 HREXWBPDEVBIIW-BKFWDETESA-N 487.987 5.356 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1795128120 GEJCMNNXRYZHNE-ACDBMABISA-N 487.522 5.342 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)cc(Br)c1)C2 1798339262 OTXUJHYLZIJYBD-YRPNKDGESA-N 465.819 5.123 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)n2ccccc12 1799099238 ZLYHPKQVIDXFOQ-WKCHPHFGSA-N 463.528 5.070 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1)C(F)(F)F 1800665058 KYMWYTVNORHIMS-ACDBMABISA-N 474.548 5.349 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1802498057 UCTJZIASDRPXKW-URXFXBBRSA-N 465.638 5.593 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)[C@@H]1c1cccnc1 1802500346 MWULYRJUDDEHIY-GBXCKJPGSA-N 494.039 5.003 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)C3)c1 1803685260 ZBWRTBHXJPOQLY-YWQVJIEVSA-N 484.427 5.505 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)C[C@H]3OCCc4ccccc43)C2)CC1)c1ccccc1 1805904877 DFCIAFJSXVNLRU-URLMMPGGSA-N 498.667 5.119 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1806086863 JRNCYAPEXNPHNE-YZUZCNPQSA-N 474.630 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C(C)C)nn3ccccc23)[C@@H]1c1cccnc1 1807920483 KIECMNXSQLAEOI-GJZUVCINSA-N 487.648 5.165 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1808741240 RLAQZESGRFWGGF-SQHAQQRYSA-N 482.628 5.456 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1808852043 BHFGADCUVODTOK-TVTNDZMWSA-N 499.036 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1809094840 BSOVRFDMLDFWQS-XFAFFCHDSA-N 468.601 5.026 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1)C(F)(F)F 1809442678 BMWYTERGNKPZOH-QRWLVFNGSA-N 493.938 5.388 30 20 JKED CCc1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1810271382 HESOTUMNDHCTFE-XNMGPUDCSA-N 475.709 5.015 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3ncccc3c2)[C@H]1c1cccnc1 1810272446 OICHLAVJHPVYHM-NAKRPHOHSA-N 498.703 5.001 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C)c3)C2)CC1 1810354409 XUBZCMGFNLTIJC-VWLOTQADSA-N 471.645 5.670 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)C2)CC1 1810442649 ZNBOUNAGWITVJP-RUZDIDTESA-N 490.673 5.029 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc3sccc3[nH]2)[C@H]1c1cccnc1)c1ccccc1 1810443728 MABDZLIISMDRJE-WCYRKSIYSA-N 496.636 5.141 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1ccccc1 1810445099 YCIAREJHARUOAR-DOEKTCAHSA-N 486.015 5.252 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(F)cc2)[C@H]1c1cccnc1)c1ccccc1 1810448719 XSONPLPWBAGWGI-BOACMQGQSA-N 497.614 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1810501937 FLIZDBMWIDSWPW-AMGIVPHBSA-N 490.623 5.333 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@@H]1c1cccnc1 1810503688 UGSLMEYMCOBSGN-VXFGQUIQSA-N 485.550 5.211 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811261840 KMNDRCHMXMVYQN-PXJZQJOASA-N 496.655 5.577 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1811288056 QIWCUSPIOHOSIO-GJZUVCINSA-N 498.652 5.637 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812673433 UIYPUVSXHLZVTQ-UGKGYDQZSA-N 469.557 5.136 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)CCc2ccc(F)cc2)[C@@H]1c1cccnc1)c1ccccc1 1812896425 BYEBBYIKUUSRLE-BOACMQGQSA-N 497.614 5.057 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1813226965 WSGIUVVHIGUJMJ-LITSAYRRSA-N 482.628 5.002 30 20 JKED CC(C)Oc1ccc(C(=O)NC[C@H]2CCN(C(=O)C3(C)CCCCC3)[C@H]2c2cccnc2)cc1C#N 1813960263 HMAOYKXKELZANV-BVAGGSTKSA-N 488.632 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccccc4)on3)n[nH]2)c1 1814364452 OLBUSGNALVKEMB-KOSHJBKYSA-N 494.555 5.311 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1814742411 DBCSIYDEEMYYNU-JOCHJYFZSA-N 472.932 5.167 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4c(CC(C)C)oc5ccc(OC)cc45)sc3C2)C1 1815912148 PEPWQBIZUYAYKR-KRWDZBQOSA-N 493.629 5.288 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)nc2F)n[nH]1 1816048834 FWCOMRBKUBTBME-INIZCTEOSA-N 492.393 5.005 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606490 NOJQXBLQQLBZSA-MRXNPFEDSA-N 475.039 5.503 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818775028 IOKVBIANMVUXJJ-KSSFIOAISA-N 488.013 5.385 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[nH]n1 1819307086 NXAAQMVOHYSJHO-HXSOTZQLSA-N 487.604 5.374 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)n2)n[nH]1 1819750792 AZYOLYALSDTTLW-QGZVFWFLSA-N 463.504 5.122 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(F)c1 1821025754 VZQSYPFQUVEYFK-HXOBKFHXSA-N 459.525 5.104 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821202846 XMJOHWACBSGCDB-INIZCTEOSA-N 471.385 5.081 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(C#N)c2)n[nH]1)c1ccccc1 1821321695 BMOVLUAIVTYVDL-VWNXMTODSA-N 455.562 5.090 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)s1 1821692694 LLHRDVLLSTXCIM-FQEVSTJZSA-N 476.606 5.090 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)[nH]n1 1822382690 IQCJPKZCPKKPOJ-XHDPSFHLSA-N 493.452 5.011 30 20 JKED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1cccs1 1822709994 OKPTUHQRZPIZNJ-KUHUBIRLSA-N 467.982 5.106 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)ccc(F)c1F 1823200248 HJDAOJBOBMRRIO-OYHNWAKOSA-N 477.515 5.243 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)[nH]n2)c1 1823217517 LPEUIPOKMDWDKU-XOBRGWDASA-N 497.386 5.358 30 20 JKED Cc1scc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1C 1823683727 HQJXHNLNAHSGIZ-RUZDIDTESA-N 463.647 5.103 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)C1 1823701133 APPPPWMUEJFRJX-HXUWFJFHSA-N 453.385 5.332 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1824142264 KHUDBDYCXWQOLJ-RUZDIDTESA-N 469.576 5.448 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1824500076 FQPXCEFCRHENGM-QHCPKHFHSA-N 468.663 5.426 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)CC2)c(Cl)c1 1824650055 REKXQUQELNSSLX-UNMCSNQZSA-N 477.983 5.270 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1C 1824803844 ZUTKCSSFXPNESY-XMMPIXPASA-N 494.035 5.005 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1824963075 YCNMDAJLIBACDL-FQEVSTJZSA-N 469.478 5.454 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCCCc2ccccc2)CC1 1826324256 QOUPMCQVIHJADX-AREMUKBSSA-N 451.655 5.493 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330758 YTLJBSSESOKZKV-CUNXSJBXSA-N 490.648 5.091 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)CC1 1827342677 RABUCPUHIMNDOU-VWNXMTODSA-N 462.638 5.058 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828156933 YIIJDSYWPPKAMV-DYESRHJHSA-N 473.614 5.075 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828355156 ZKHXYAUATKNERV-PCUWGRHASA-N 497.595 5.260 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1828401743 UFSRBWXSOSPLIK-VJGNERBWSA-N 490.047 5.443 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1 1828826999 QGJLKIMAINAEMP-PZJWPPBQSA-N 463.544 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828828452 KMKYTOHOGUJOCU-PZJWPPBQSA-N 473.013 5.070 30 20 JKED Cc1ccc(OCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1828903941 LCBQYDMUHOJSRM-AREMUKBSSA-N 482.741 5.045 30 20 JKED O=C(c1ccc2occ(Cl)c2c1)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828997601 MHQFQTFNSHTRCR-YJGSSNSBSA-N 481.980 5.032 30 20 JKED O=C(c1cc(Cl)c(F)c(Cl)c1)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828999475 SHJYHAUXQCLHQP-PXGAOIJESA-N 494.394 5.078 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830417528 CATILHHGYPWYQN-QRWLVFNGSA-N 486.415 5.167 30 20 JKED O=C([C@@H]1CCC=CO1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601801 IWPOFGHZXZBZNS-WDYNHAJCSA-N 482.624 5.012 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc(OC)c2OC)CC1 1830649109 LZPQNFPRUCULMT-OAQYLSRUSA-N 474.617 5.069 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)CC1 1830802054 FIVAFMMEWJQHFI-VWLOTQADSA-N 495.664 5.379 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c1Cl 1830970983 HVSGDTFVMLRDJB-HSZRJFAPSA-N 493.032 5.368 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1831464298 BCTQLDIDZAGXHY-NLFFAJNJSA-N 455.618 5.076 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831728109 RNULRDDJKTWHTF-KBMIEXCESA-N 453.602 5.072 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)cc2Cl)CC1 1831774108 WELDRVXCXRMSTC-WVNSPRTPSA-N 471.041 5.447 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2SCc2ccccc2)CC1 1831851486 GTZKCHNLBVPTHK-AREMUKBSSA-N 489.685 5.411 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832629589 UQMAJALNEYIJNE-FNZWTVRRSA-N 461.581 5.308 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634337 PSSZQKXXICOAKU-UQBPGWFLSA-N 479.571 5.447 30 20 JKED Cc1cc(C)n2ccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2n1 1832634896 XDGRAWTUWAREIF-DCFHFQCYSA-N 497.643 5.125 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832702039 ASNUQEAASBZYJE-AREMUKBSSA-N 477.649 5.347 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CCC1 1832785383 XQYLJFXEVPPJSM-HXUWFJFHSA-N 481.946 5.286 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)CC1 1832827765 AXCKFGIVCDEHKW-HHHXNRCGSA-N 460.593 5.063 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CC1 1838373255 FTQGJBNFYYWTEG-FQEVSTJZSA-N 497.438 5.513 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)c1 1844654905 ZLJYKMCVZQLVEQ-UHFFFAOYSA-N 484.556 5.038 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1cccc(C)c1 10241320 GCIDIBLLPNNGRX-QHCPKHFHSA-N 460.628 5.499 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccc(Cl)cc2)cc1 10831752 NVBMEESBZRLPPG-UHFFFAOYSA-O 472.033 6.908 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 11168951 ZEDJEPWIZPSTNS-UHFFFAOYSA-O 465.642 6.487 30 20 JKED C=CCn1c(SCc2csc(-c3ccccn3)n2)nnc1-c1ccc(Br)cc1 11201008 FOMDIUFTMLDEPM-UHFFFAOYSA-N 470.421 5.704 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)n(C2CCCCC2)c1C 16617558 DYQCHKUGDMQRNS-UHFFFAOYSA-N 469.998 5.916 30 20 JKED C=CCNC(=O)[C@@H](C)Sc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1CC=C 16867141 FUZNTDLRNIQUJC-LJQANCHMSA-N 469.614 5.438 30 20 JKED Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)S2)cc1F 16939207 UGXUKFUAQRQANR-OAQYLSRUSA-N 495.963 5.266 30 20 JKED N#CCc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(F)cc2F)cc1 20075395 WPEZIPMAILWIFN-UHFFFAOYSA-N 496.926 5.114 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1[C@H]1COc2ccccc2O1 21140612 GITAGJCBYDGNAZ-GAJHUEQPSA-N 472.570 5.249 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)nnc1-c1ccco1 23202254 RZVGGNSHWGTNJU-LBPRGKRZSA-N 451.533 5.135 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nnc1-c1ccc(F)cc1 24014770 HMVKIHQPBIIVAY-HNNXBMFYSA-N 489.414 5.172 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CC2)nnc1-c1ccc(Cl)cc1Cl 24026854 VXBBGTKAHRMHBP-NRFANRHFSA-N 473.429 5.798 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nc2cc(-c3ccccc3)sc2c1=O 24268021 SCMHQKOETFPVKL-MRXNPFEDSA-N 479.631 5.208 30 20 JKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 24875745 DDWFMLFNMMXODL-UHFFFAOYSA-N 493.976 5.409 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1 27122654 GVOGATBTGVDLHB-OVVQPSECSA-N 463.581 5.961 30 20 JKED O=C(/C(=C(\S)Nc1ccc2c(c1)OCCO2)[n+]1ccccc1)c1ccc(Cl)cc1Cl 28648928 RQHQAFROKTUOJM-UHFFFAOYSA-O 460.362 5.103 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)c1 31702251 SSBVOMFQPRZWAO-MRXNPFEDSA-N 485.407 5.543 30 20 JKED CC(=O)N(c1nc(/C=C2\CSc3ccc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 58452941 MCPCWEDSUBVGQV-WUXMJOGZSA-N 462.930 6.131 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1C 195634720 SOULBHSWDVFLAA-UHFFFAOYSA-N 454.496 5.009 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc3ccccc3n2C)c(OC)c1 195652720 CRWBLTCBXWFBEZ-QFIPXVFZSA-N 478.552 5.548 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 247692098 WWYKQKYBQLEPMJ-UHFFFAOYSA-N 473.989 5.639 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1Cl 409796740 TWDQVXUDARSSQJ-OAQYLSRUSA-N 465.380 6.336 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCc3cc(F)c(F)cc32)c1 479810815 LRELHERAIXWVDY-UHFFFAOYSA-N 488.943 5.202 30 20 JKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 481142735 XZBWOVMTEQHVDU-MRXNPFEDSA-N 463.921 5.219 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCCSCc3ccccc3C#N)cc2F)c1 481630700 UKIVODWSZUCDRE-UHFFFAOYSA-N 460.534 5.203 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)s2)c(C(F)(F)F)c1 487393137 WODHQUNUSCSXEY-IBGZPJMESA-N 487.503 5.434 30 20 JKED N#CCCN(C(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)c1cccc(Cl)c1 498019118 VOCULDXIQMGUOZ-UHFFFAOYSA-N 483.380 5.379 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(OCC)c(OCC)cc1Br 498452605 XLJZRFIVKVMASZ-UHFFFAOYSA-N 459.384 5.099 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1 498620885 XDDWESKLUPHANO-UHFFFAOYSA-N 489.600 6.306 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 501844877 UYTOMUCEIPRVSX-SFHVURJKSA-N 485.959 5.482 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)c1 502243493 NTSNFMKDCFIPQG-YADHBBJMSA-N 470.598 5.095 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1Cl 504115323 HNMLDFVZDCFKGP-XMMPIXPASA-N 455.949 5.562 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)cc1Cl 506440675 WTKBPVQDRXTMRN-LJQANCHMSA-N 486.786 5.600 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCC3(c4cccc(Cl)c4)CCOCC3)c2)c1 506585550 RXOGXZKLLBSMLH-UHFFFAOYSA-N 488.975 5.334 30 20 JKED C=CCOc1ccccc1CN(C(=O)CCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2 506942133 DPBJVRNDYGRVJQ-UHFFFAOYSA-N 483.524 5.196 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)c1 509680979 CMQSZGSRTKHZRQ-NRFANRHFSA-N 454.530 5.542 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)nnc1-c1ccc(Cl)cc1 515613815 VSHUXLOCUPWRKB-HDICACEKSA-N 498.052 5.129 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 515675563 NSZSCCMGWQKMJT-UHFFFAOYSA-N 480.524 5.176 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 515690168 DFGYCQOCHYJAOT-UHFFFAOYSA-N 456.493 5.556 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc(OC)c1OCc1ccccc1 516331485 VMZPGPDDTUPTCU-FQEVSTJZSA-N 471.538 5.291 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccs1 516471503 YNHOKZAQMDJNKR-HSZRJFAPSA-N 461.587 5.235 30 20 JKED Cc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1cccc(Br)c1 517455658 ZKVVRSGVTPYBQW-CQSZACIVSA-N 455.381 5.447 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 517461358 GVBGRNSJJLOLDL-SBUREZEXSA-N 481.415 6.460 30 20 JKED C[C@H]1CN([C@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c2c(F)cccc2Cl)CCO1 517474030 KXOZSXGXGOWAER-LLGFUMIMSA-N 491.032 5.314 30 20 JKED Cc1ccc(Sc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2[N+](=O)[O-])cc1 518642093 SHFUWQUYJBBWSP-IBGZPJMESA-N 472.551 6.063 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 518683079 HWOQVCYFIYEJJT-BCHFMIIMSA-N 457.599 6.174 30 20 JKED CC(C)CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2ccccc2c1=O 519413089 AMNKJDMMUDGNFD-GOSISDBHSA-N 480.659 5.568 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccc(C)cc2)cc1 520009474 BINRGKNVMBOZEK-MUUNZHRXSA-N 491.547 5.512 30 20 JKED CC(C)(CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 520150114 KCYTYRHQRQUYFY-UHFFFAOYSA-N 478.017 5.650 30 20 JKED Cc1ccc(-c2nc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)c(C)c1 521137745 FNHVKWOPRNGXQV-UHFFFAOYSA-N 463.613 5.695 30 20 JKED O=C(Nc1ccc(F)cc1)C1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 522422375 XRHMKTBYKVCEKB-UHFFFAOYSA-N 477.380 5.746 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 523213900 FXJRXPORDVFALR-KRWDZBQOSA-N 465.038 5.141 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C)cc1 523380301 CGEMIDUUIGIEHP-UHFFFAOYSA-N 460.440 5.384 30 20 JKED C[C@@H]1CN(Cc2ccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)cc2)C[C@@H](C)O1 559872006 WNSMQHYLYWTEJU-DHIUTWEWSA-N 455.602 5.036 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc(-c3cccc(Cl)c3)o2)n(Cc2ccco2)c1C 590643831 MQHFCNBFQOHRHL-UHFFFAOYSA-N 481.965 5.442 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)nc(O)c2c1C 603530259 BZKOAWOEPZSTFP-QGZVFWFLSA-N 468.648 5.192 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1)c1ccc(C#N)cc1 603720930 FQDBNUPIFWEWTH-AWEZNQCLSA-N 453.926 5.318 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1 604085383 BYSDDXCQLQJTGQ-UHFFFAOYSA-N 491.551 5.301 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)CC3)c2c1C 604290599 URNLWYJZOOGVKV-ZDUSSCGKSA-N 465.648 5.221 30 20 JKED N#Cc1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)c(F)c1 609229615 FFVZZAXELKSWKX-UHFFFAOYSA-N 488.371 5.665 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 609398384 XMVWEJJILFRWAF-KOSHJBKYSA-N 455.587 5.736 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN(C)C1CCCCC1 609398507 YTXRDQOHPNZSBO-FQEVSTJZSA-N 450.652 6.025 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)c2)cc1 609399005 CVXYYKZUINCATO-NDEPHWFRSA-N 464.569 6.572 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(C(F)(F)F)c1 609400036 FNUPKDGLHSQNEY-LBPRGKRZSA-N 489.441 5.546 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nnc1-c1cccnc1 614509936 FQTBSOPERVUAAF-UHFFFAOYSA-N 466.567 5.099 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCCc2ccccc2C)nnc1-c1ccc(Br)cc1 619153739 DBOGZZKOXKLVFI-KRWDZBQOSA-N 485.451 5.042 30 20 JKED O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)c1ccc(F)cc1C(F)(F)F 622471117 PKULLXAALMKWDQ-UHFFFAOYSA-N 450.137 6.345 30 20 JKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 622478198 XRCLAZVLWMHCFU-PBHICJAKSA-N 463.397 5.266 30 20 JKED C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nnc1-c1ccc(F)cc1 669910188 QKOWRPYGYNFPSA-UHFFFAOYSA-N 461.444 5.230 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 726077439 AVNDLPCXLWFNDK-UHFFFAOYSA-N 479.896 5.128 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 726392486 HBHCBXLLLDGLLW-DNVCBOLYSA-N 493.601 5.387 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccsc2)c1 726404878 HBSZNVUSMWRTHW-HSZRJFAPSA-N 487.606 5.093 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1Cl 726407903 BGSUAIJUHNTDSR-HXUWFJFHSA-N 470.957 5.254 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCOC(C)(C)C)C2=O)cc1 726421018 NQTMSERCZILTAC-DBNUBOGESA-N 473.664 5.261 30 20 JKED COc1ccccc1C(=O)Nc1ccc(OC(=O)c2occc2COc2cccc(C#N)c2)cc1 726497069 ADNKJQXANLQFFA-UHFFFAOYSA-N 468.465 5.210 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CC(F)(F)F)c1 726886109 MUPZOISPLRSPFP-LJQANCHMSA-N 495.523 5.007 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cccc(CN2C(=O)CSC2=O)c1 729244797 IQKHPPAGXJGDRC-UHFFFAOYSA-N 475.957 5.254 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O 729464318 RXOGDGZRODDGAK-UHFFFAOYSA-N 493.394 5.348 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccccn3)C2=O)c1 730536778 ORLNTLBNGRGBBB-HSZRJFAPSA-N 476.577 5.306 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2cc(C)cc(C)c2)ccc1OCc1ccccc1 730564413 BMFZTCQFZANLPH-UHFFFAOYSA-N 474.586 5.232 30 20 JKED C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)N1CCC[C@@H]1c1cccs1 730605593 GKKTYYQVOKXQDJ-IIBYNOLFSA-N 464.518 5.460 30 20 JKED CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1ccccc1SC[C@H](C)C#N 730952934 ZZMVWNNETSKBSH-QGZVFWFLSA-N 494.642 5.324 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 731067421 UCBBCRYIDAFPPZ-GOSISDBHSA-N 473.554 5.129 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](C)c2c(Cl)cccc2Cl)nc1C 731224797 GNZZXUCAMYXIRA-SECBINFHSA-N 454.408 5.234 30 20 JKED Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 748536427 FAQJRXCNTBJTLP-UHFFFAOYSA-N 485.609 5.555 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 751328864 ILQVRVSOAFAVRT-MHBGZZOHSA-N 451.570 5.280 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)c(Cl)c1 799211549 BGQHFDOZEOPNDQ-LJQANCHMSA-N 460.386 5.204 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 812309395 VVNUCMUZWBFFGM-UHFFFAOYSA-N 479.609 6.337 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1Cl 912706544 XXCAFFWNWIVJJX-UHFFFAOYSA-N 462.905 5.252 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694396 JAFHJBXQNQQKPA-VGSWGCGISA-N 465.550 5.319 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)cc1 914772780 OGLHNYRLEICCBF-HSZRJFAPSA-N 477.561 5.133 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(NC(=O)c4ccccc4)n3)n2)cc1 915100370 PCRWOAHKURWVEN-LJQANCHMSA-N 458.568 5.246 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915104502 CYXLMTDVHRLQOE-LJQANCHMSA-N 485.531 5.363 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1F 915116817 PVKIHKWNHQUBAX-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CCOc1cc(/C=C/C(=O)c2cccc(F)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916134753 YKFSUHUXIJWIBH-SOFGYWHQSA-N 479.460 5.474 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccccn2)cc1 916214661 QGOPLYGLPYMXLJ-QHCPKHFHSA-N 458.587 5.113 30 20 JKED CC(=O)N(c1nc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cs1)c1ccc(F)cc1F 916266888 LKWBGKFDHDAKHI-UHFFFAOYSA-N 488.519 5.812 30 20 JKED Cc1sc2ncn(N=Cc3sc(Nc4ccccc4Cl)nc3Cl)c(=O)c2c1C 916311075 ZCPAGNJZFGJYLI-UHFFFAOYSA-N 450.376 5.464 30 20 JKED O=C(Nc1ccccc1SC(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 916698696 BLVYZVMPIZPXIO-MYJAWHEDSA-N 454.358 6.330 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2c3ccccc3n(C)c2s1 916902678 INIPNRCOHIQKAP-OAHLLOKOSA-N 451.935 5.325 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 916955223 NILNPQWWGZMNBG-IIBYNOLFSA-N 477.586 5.231 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 916955958 WCJVOXKTCSIEDR-QRWLVFNGSA-N 477.586 5.610 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 917043751 NLCRHNBKEAJTEN-ZFWWWQNUSA-N 463.506 5.248 30 20 JKED CCOc1cc(/C=C/C(=O)c2cn(C)nc2C)cc(Br)c1OCc1ccccc1 917520430 OCXCPAZFNLVFSQ-ZHACJKMWSA-N 455.352 5.365 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c1 917671042 JASHEBZPPNRNFH-YOSAUDMPSA-N 494.636 5.030 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 918487362 MYFQSHVJEGJWSK-GOSISDBHSA-N 496.748 5.316 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1C 919018679 FEEGHIOKQKWTTC-UHFFFAOYSA-N 498.004 5.404 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3=NO[C@H](c4ccccc4)C3)s2)c(C(F)(F)F)c1 919815530 MBOPECXTURJAQG-IBGZPJMESA-N 456.449 5.080 30 20 JKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1cccc(/C=C3\CCc4oc(C(=O)O)c(C)c4C3=O)c1)CC2 920065920 NCFLDPHLEVZLDI-MJZABRMRSA-N 486.476 5.311 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)s2)n1 920109567 RDDQKVWJZMOXPY-SNVBAGLBSA-N 466.371 5.457 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)cc1 920141592 FTDUSTZNCPYTHH-SIKLNZKXSA-N 467.550 5.201 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3c(C)noc3C)C2=O)cc1 920356582 QLOBUGFFLLNHIS-JOCHJYFZSA-N 480.565 5.208 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3F)n2)n(-c2ccccc2)c1C 920730037 WMGLSUSYOBHBBU-UHFFFAOYSA-N 474.517 5.024 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2cc(Br)ccc2F)cc1 920871554 BNRQUIZNPHBEEO-NRFANRHFSA-N 452.327 5.608 30 20 JKED N#C[C@H](COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Cc1ccc(F)cc1 920879716 JEGDQWODWDUKEP-DVECYGJZSA-N 464.924 5.266 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)cc1C 920891564 AWURTHOEQSHBSU-KRWDZBQOSA-N 495.377 5.027 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1C 920894598 RWNRGOGINORJDL-GOSISDBHSA-N 464.953 5.226 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccc(Cl)cc3)cc2)CCC1 1785988873 OPKZMKDZBOLEAF-SFHVURJKSA-N 468.981 5.087 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4sc(C)cc4[nH]3)CCC2)cc1 1786367243 GUPIRECTLRBKDI-UHFFFAOYSA-N 451.592 5.268 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4ccc(F)c(F)c4)CCC3)cc2)CC1 1787878512 ZFCSNXCAZHBKRV-UHFFFAOYSA-N 472.495 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)CCC1 1790089624 XEIPEVWFCGCDDI-UHFFFAOYSA-N 477.605 5.394 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1 1790206020 JZADZIUXHYUQSR-CMDGGOBGSA-N 454.935 5.181 30 20 JKED COc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)no2)cc1 1790255901 BGTSXLOSIOQVAN-UHFFFAOYSA-N 492.535 5.283 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)no4)CCC3)cc2)c1 1790258287 ACPOKAUGALPDMK-UHFFFAOYSA-N 462.509 5.275 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)Cc4c[nH]c5ccccc45)cc3)CCC2)c1 1790396551 OIQRGTRHRXUZAR-UHFFFAOYSA-N 478.552 5.039 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)C4(F)CCCCC4)CCC3)cc2)ccc1F 1790520362 QQZXOBHAJHWJRO-UHFFFAOYSA-N 451.517 5.046 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3Cl)CCC2)cc1)C(F)(F)F 1791302163 SHVCUMGFCAACSO-UHFFFAOYSA-N 468.907 5.158 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCC(F)(F)F)CCC3)cc2)cc1C#N 1792168243 DEULSBHAXKUSHQ-UHFFFAOYSA-N 473.495 5.436 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2-c2cccc(F)c2)c1 1796498910 JFFOZTQRERMBDF-FUJBWUKOSA-N 482.559 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1Br)C2 1798594039 ZCTCXVRJIWZBTP-MUJYYYPQSA-N 467.835 5.347 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(OCc2ccccc2)c(OC)c1 1799802363 RZGDMUVAOBHALT-ATPOPXNDSA-N 490.644 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncc(Cl)cc2Cl)[C@@H]1c1cccnc1 1802368252 GBPDANLVSVNUPO-UWJYYQICSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(SC)cc2)[C@H]1c1cccnc1 1802501293 KQVIOCFTEMZDKI-RDGATRHJSA-N 465.663 5.044 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c1Cl 1802778645 VYGBWKXMMAPTDO-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1803092096 IVGBMMINTUBDMU-CVDCTZTESA-N 489.513 5.328 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1 1805938214 OQSALZHCRKQBGX-UHFFFAOYSA-N 476.583 5.453 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1)[C@H]1CC=CCC1 1808137576 BUFLTYSYWWVZEX-BHBSRLOASA-N 489.619 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810175308 VHEPHTMQFUNKRX-DNVFCKCGSA-N 489.513 5.328 30 20 JKED Cc1snc2sc(C(=O)N3CCCC4(CCN(C(=O)CCc5cccc(C#N)c5)CC4)C3)cc12 1810512152 HRUTUWYYVHCOEV-UHFFFAOYSA-N 492.670 5.016 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@@H]1c1cccnc1 1813013182 FWVINSQMEINLAL-OFVILXPXSA-N 497.561 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1813829900 GJNMAYCARPKXGY-PQNGQFLHSA-N 451.998 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1814066874 FMLPFWLZNYPLLR-YRFMLNNJSA-N 477.571 5.225 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)nc2F)[nH]n1 1814442276 JGSUTIANXUGELU-MRXNPFEDSA-N 492.393 5.005 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)CC3)n[nH]1 1817941310 UYSJXJMGLCSZOM-DYESRHJHSA-N 450.583 5.031 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165417 UPNXQGXDULUYRB-OXJNMPFZSA-N 466.969 5.841 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2occc2Br)n[nH]1 1818201086 GVADCRCWGCCEMJ-INIZCTEOSA-N 463.376 5.064 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cc[nH]n3)n3ccccc23)n[nH]1 1818973128 NSZWSNWMYNNETE-NTKDMRAZSA-N 497.603 5.127 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)[nH]n1)c1ccccc1 1819516897 OUYMXGLZVNJXPP-OFNKIYASSA-N 491.542 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)[nH]n1 1819554267 PBEBORNZQKHYNK-MRXNPFEDSA-N 465.520 5.065 30 20 JKED CC#CC[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3nc(C)ccc3o1)CC2)c1ccccc1 1820028692 IQTFSLLOMXPALI-PMACEKPBSA-N 498.608 5.016 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820218953 JIVNYDUYBQHAEK-HXUWFJFHSA-N 493.995 5.753 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c1Cl 1821306081 CLNDKESHGCCHCW-JOCHJYFZSA-N 473.964 5.432 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)n[nH]1 1821351599 FBOGJQGSBKWMSY-IBGZPJMESA-N 464.488 5.013 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4ccoc4c3)n[nH]2)cc1C#N 1821462137 UDDCOTRUKGNITC-HSZRJFAPSA-N 497.555 5.434 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1821919676 AOLAKYLHRHJOOA-XXBNENTESA-N 457.578 5.298 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1821986987 XRXNYMJSQDXKIH-VYENPZKTSA-N 454.477 5.073 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1821987780 RRNRZSGAZBSDQM-HXUWFJFHSA-N 493.514 5.668 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c1 1823210280 BGJIFAQVRLTDKW-OYHNWAKOSA-N 479.943 5.449 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)[nH]n2)CCC1 1823379931 UQAFOLOXMYDURY-QHCPKHFHSA-N 489.526 5.355 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)n[nH]2)c1 1823391660 FPYISQIZSMVQLQ-YFVAEKQCSA-N 487.526 5.264 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4F)CC3)n[nH]2)c(Cl)c1 1823447814 DVOJLPUZFKLRKB-QFIPXVFZSA-N 491.954 5.112 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn3ccc(Cl)cc3n2)CC1 1823752001 HBOCZMBHFKEBJS-QFIPXVFZSA-N 471.045 5.213 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1823752891 QMHQYMGJBUXNMY-LJQANCHMSA-N 454.533 5.524 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 1824144795 GZVUTXQSPATDCG-DEOSSOPVSA-N 473.057 5.279 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824503488 CLHHGQNLJXJYNC-AMDXRBSFSA-N 475.073 5.290 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1824957701 SSUYRQDCBXBFBS-RUZDIDTESA-N 477.674 5.210 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825437826 YVMPWQTZNRJTFR-MHZLTWQESA-N 475.633 5.117 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1827357355 ZJCDZYLBVXILNY-DFBJGRDBSA-N 481.587 5.472 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828253687 DKYHPFQKKYYDFI-VWNXMTODSA-N 465.663 5.606 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828656961 QSXQMZGERJSVGQ-QHCPKHFHSA-N 496.449 5.385 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1828827296 UWZCVLKRIQRYMP-CTNGQTDRSA-N 497.989 5.756 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2Cl)CC1)c1ccccc1 1829032115 JLGKWIRFILZOBQ-JYFHCDHNSA-N 478.036 5.166 30 20 JKED C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)CC1 1829695725 RSZYRRZKPRTWDJ-XMMPIXPASA-N 482.983 5.021 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829783969 IQMGCDYOFQBEHG-NOZRDPDXSA-N 483.653 5.075 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830452153 SGPNSXVQZLDWJK-CLJLJLNGSA-N 493.598 5.668 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)cc3Cl)CC2)cc1 1830633068 CNNLAOCCTVEKGU-OXXZUKKGSA-N 492.019 5.058 30 20 JKED CCC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)n1cccc1 1830721328 GUSBCMDTVYLRGU-RPBOFIJWSA-N 481.040 5.288 30 20 JKED COc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1C 1830724121 SRVOLYNQBIASSZ-XMMPIXPASA-N 480.008 5.076 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)cc3F)CC2)c1 1830770437 WRFHAXLLIHGCKP-HHHXNRCGSA-N 491.607 5.340 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059927 SRVBSNYEHRROEU-DEOSSOPVSA-N 476.642 5.739 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1831375295 SILINWZHOQSLJZ-SIKLNZKXSA-N 463.647 5.600 30 20 JKED COc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832634143 IIZFWZPWWKCXBW-DFHRPNOPSA-N 487.644 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 1836602324 ANMCDYSMQUVACV-NBGIEHNGSA-N 473.057 5.211 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2c3ccccc3n3ccsc23)C1 1844644493 IIICCYKXCOYUQH-UHFFFAOYSA-N 477.706 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)C1 1845123087 ZTZFUHDNUKRPBG-TZIWHRDSSA-N 466.025 5.213 30 20 JKED N#CC(C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1)C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1 1875251775 SUCOBNJNRDBMCL-XAZDILKDSA-N 483.571 6.949 30 20 JKED CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C(F)(F)F)c1 11554435 IDYIEJXXXUJROE-OAQYLSRUSA-N 497.502 5.222 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2C2CCCCC2)cc1OC 21170290 RUFQYYDKVRIMHX-NSYGIPOTSA-N 485.654 5.003 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nc(C)cs2)c1 21482428 XGKADIZLANPQMF-UHFFFAOYSA-N 496.441 5.070 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2 23553045 SZFZKZHLWSTKOS-UHFFFAOYSA-N 497.642 5.167 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2cc(-c3ccccc3)sc2c1=O 24268025 WQGDYOZCQFNSBT-UHFFFAOYSA-N 491.642 5.353 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21 26732084 KOADJYUQIKETOB-KRWDZBQOSA-N 469.522 5.625 30 20 JKED N#CCCCOc1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 71975135 CRYTURHLDPFWGY-DEOSSOPVSA-N 461.949 5.522 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccccc1F 218653845 MRAQJKSWEOZPHR-CYBMUJFWSA-N 461.360 5.152 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2cccc(C)c2)cc1 255935832 YUXXJCKDRFJEFV-LJQANCHMSA-N 475.618 5.075 30 20 JKED N#Cc1cccc(COc2cccc(CNCc3cn(-c4ccccc4)nc3-c3ccncc3)c2)c1 303001880 OLAQTTJLYVMDBH-UHFFFAOYSA-N 471.564 5.675 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 303067215 ZBGVEVIULATCCM-UHFFFAOYSA-N 454.555 5.343 30 20 JKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 480404596 NZZKXCHZYHVNCX-UHFFFAOYSA-N 472.545 5.115 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2c(C)cc(C)cc2C)o1 483297882 REHAYIMFSXCABC-GOSISDBHSA-N 450.564 5.098 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCc2nnc(-c3ccccc3)o2)cc1 488028805 PKEVKGJGAQERHD-UHFFFAOYSA-N 454.505 5.299 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cccs2)cc1 493722436 HDNWBHGRUUSGDM-DFBJGRDBSA-N 480.655 5.858 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 503530909 OHGVQOUYDSVYMR-INIZCTEOSA-N 464.497 5.553 30 20 JKED Cc1nc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)sc1SCC#N 504692198 MZZSVMRQOPUMOD-UHFFFAOYSA-N 462.556 5.247 30 20 JKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CSc1ccc(C#N)cc1 504819290 NMYOUWTYZKZBAA-UHFFFAOYSA-N 469.916 5.198 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 509686761 GWUZMODYRUHVCR-UHFFFAOYSA-N 456.571 5.136 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(CCc3cccs3)CC2)cc1Cl 510642152 ZIEDIOMWIIZIDN-QHCPKHFHSA-N 465.022 5.449 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 510886303 DMHJXQUIPXKMRI-UHFFFAOYSA-N 468.557 5.394 30 20 JKED C=CCn1c(SCC(=O)N(C)c2ccc(Br)cc2C)nnc1-c1ccc(Cl)cc1 511301032 OSBNXJISWCWYKK-UHFFFAOYSA-N 491.842 5.611 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(Br)cc2)C(C)C)cc1 513875228 XUFSZPNQXLSYFN-UHFFFAOYSA-N 470.411 5.706 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccccc1F 514357878 FBLXTJGQGUSFBV-GOSISDBHSA-N 490.604 5.571 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2Cl)cc1Cl 515619847 TYGCRDCMKLBMMW-UHFFFAOYSA-N 464.305 5.057 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 515672733 AZUYBVRCIAFKTC-RUZDIDTESA-N 462.977 5.425 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1cc(Cl)ccc1Cl 517460925 GNWNOMOUDCBBMK-CQSZACIVSA-N 455.432 6.138 30 20 JKED C=CCN(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 518256438 WHPLPXPWSNIEFO-INIZCTEOSA-N 479.997 5.144 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccccc1Oc1cccc(F)c1 519436423 OAVDWEUDKYGJPE-QGZVFWFLSA-N 463.534 5.125 30 20 JKED Cc1cc(CNC(=O)CCc2c(C)nn(CCC#N)c2C)ccc1Oc1ccc(Cl)cc1Cl 519874194 KSIGKNDBMBVGSC-UHFFFAOYSA-N 485.415 6.070 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1nc(-c2c(F)cccc2F)cs1 520427297 BNVFYGXYPCPTON-HNNXBMFYSA-N 469.563 6.327 30 20 JKED Cc1sc2ncn(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c(=O)c2c1C 520837006 HGPSUDVCXHSFKN-UHFFFAOYSA-N 480.537 5.128 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 523380984 PCHRJPAHEMUTOR-OIKPOIBNSA-N 451.570 5.143 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)NC2CCCCC2)cc1Cl 524707307 ITTMZWDWOYIAEZ-QFIPXVFZSA-N 452.986 5.346 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccccc2)c2ccccc2C#N)cc1 572910406 LWNLVTNFNHPNOO-UHFFFAOYSA-N 451.526 5.518 30 20 JKED C=CCN(C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 596339663 CVNUFGZXFANVLI-LJQANCHMSA-N 495.612 5.644 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)cc1 603649104 WQGZQGLRBZTLHZ-ZIAGYGMSSA-N 476.446 5.637 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)o1 603928769 XBPVDNZVBVKVRH-UHFFFAOYSA-N 462.399 5.400 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 604003163 GWKQUXIVDJDCFF-DEOSSOPVSA-N 467.569 5.131 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)c2)cc1 604135432 LZUJUCJTDGKRDJ-VWLOTQADSA-N 473.960 5.191 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 604358639 OTQNJSCSQSKCMP-UHFFFAOYSA-N 489.578 5.774 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)cc1 604460748 ZSMWHQPZHUZZHY-HUUCEWRRSA-N 457.374 5.945 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](Cc3cccc(F)c3)c3cccc(F)c3)cn2)cc1 604510146 IHQXYFQKAXCQDS-VWLOTQADSA-N 498.489 5.062 30 20 JKED CCc1c(C)sc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1C#N 609032767 CQPBNWDYALMVMK-UHFFFAOYSA-N 461.631 5.576 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccc(Br)cc1 609073451 IAJMPTCSMFTKBP-DEOSSOPVSA-N 492.373 5.106 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc2ccccc2c1Br 609369941 TVMDIZPLOLFWCZ-OAHLLOKOSA-N 455.377 5.872 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609401578 GQCZRABLSSLKSC-ZDUSSCGKSA-N 492.548 5.479 30 20 JKED COc1cc(OC)c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)[nH]c2c1OC 613319578 ITFNHQWBIIXRLX-OAHLLOKOSA-N 467.934 5.461 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 613319860 NOEUWPUAONYQFK-FQEVSTJZSA-N 483.984 6.211 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc2cc(Cl)ccc2s1 613402930 KTVZQYZBWNCINW-MRXNPFEDSA-N 473.863 6.646 30 20 JKED N#C[C@@H](C(=O)c1nccnc1-c1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 620304541 KWAOZJWHTARVCV-LBPRGKRZSA-N 475.505 5.645 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 642018118 QQGRHTCWKMILHA-MRXNPFEDSA-N 456.999 5.105 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cnn(CC)c1 726117629 DJJJHXFAHIZHOX-JOCHJYFZSA-N 463.607 5.207 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1F 726409922 DVVCNZITWLXDCY-HXOBKFHXSA-N 492.576 5.259 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C[C@H]1CCCO1)c1cccs1 726422349 WLNFXVSLHFLKPO-GTGGDNFGSA-N 493.654 5.470 30 20 JKED Cc1c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cc(O)ccc2C)sc2ccccc12 726570881 MXRAAPKYJPXNRE-UHFFFAOYSA-O 493.033 6.360 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(Cl)cc1 726571495 VYOPJVPCJOJNRG-UHFFFAOYSA-O 455.390 6.038 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c(F)cccc1F 727627537 HDNGCZSFWGFPAG-JUVWUZDCSA-N 483.584 5.333 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)cc1 728777555 LIMQORWEGRMGKN-HXUWFJFHSA-N 454.983 5.303 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 729144774 FRIAXHHGUYTFIJ-GOSISDBHSA-N 471.007 5.265 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 729560337 VCLFMQIBCRNBLF-NRFANRHFSA-N 478.593 5.100 30 20 JKED Cn1c([C@@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc2ccccc21 729887085 RCWITSXELQIKKJ-QFIPXVFZSA-N 465.944 5.498 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(OC)ccc3OC)N(C3CCC3)C2=O)cc1 730461269 AIOYDZMYZAMFIW-QHCPKHFHSA-N 497.617 5.005 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(SC(F)F)cc1 730487918 CXMCWBJKHBUEMN-PKOBYXMFSA-N 491.585 5.141 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1C 730613281 POZVCOMNLJPEOT-OALUTQOASA-N 486.355 5.210 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)nc2ccccc21 730685374 HQNZNONKJWIRCW-SBUREZEXSA-N 478.321 5.471 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730719079 WRRJRIDCPHWBRG-OAQYLSRUSA-N 498.992 5.060 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 730989719 NVEYSXYPHCWATF-MRXNPFEDSA-N 478.039 5.019 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)cc1 731305201 JFFCHIUHSVGYCS-SBUREZEXSA-N 474.586 5.071 30 20 JKED Cc1ccc2c(c1C)OC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731305289 BOZQASCSLYMIMM-DHIUTWEWSA-N 487.581 5.103 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3S[C@H](C)CC#N)cccc2c1=O 731332572 OPUNJIUOXVKAOK-QGZVFWFLSA-N 454.551 6.415 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 743294775 ZHBAUMLXPBDVBR-QHCPKHFHSA-N 491.592 5.389 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)cc1 745303012 SOFSSRQCHTVHDE-XTEPFMGCSA-N 493.994 6.034 30 20 JKED COc1ccc(/C=C(/Br)c2ncc(-c3ccc(F)cc3)o2)cc1OCCCC#N 747361179 FGGPVCTZWAJTOE-LDADJPATSA-N 457.299 6.065 30 20 JKED CCCc1nc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1Cl 749049447 SEVDJNVEPFHZSW-HNNXBMFYSA-N 476.751 5.141 30 20 JKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 750706763 WZKKPEYWJPOHRF-NRFANRHFSA-N 478.593 5.300 30 20 JKED COc1ccc(-c2nc(C=Nn3c(C)nc4scc(-c5ccc(Cl)cc5)c4c3=O)cs2)cc1 767031456 AXRGKCVYUJVMSK-UHFFFAOYSA-N 493.013 6.101 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CC(F)(F)F)C2=O)c1 799223748 VFAVKPPMBZIZKS-GOSISDBHSA-N 467.488 5.274 30 20 JKED O=C(c1ccc(OC(F)F)c(Br)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 883979088 BPPBZSACZDGNBQ-UHFFFAOYSA-N 456.127 5.007 30 20 JKED C=CCn1c(SCc2nc(COc3cccc(F)c3)no2)nnc1-c1ccc(Cl)cc1Cl 904722118 HUPIGZQTMMGSII-UHFFFAOYSA-N 492.363 5.831 30 20 JKED Cc1cc(C)n(-c2nncn2N=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)n1 912804397 LJCXOZUBYASRNM-UHFFFAOYSA-N 478.556 5.121 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C 914539433 BIXZXMGYESXXQS-QHCPKHFHSA-N 488.613 5.176 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 915104921 XGTKZJXXRZKMEQ-QGZVFWFLSA-N 452.486 5.373 30 20 JKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 915512537 YAGQYVQUWNDKCX-LBPRGKRZSA-N 490.384 5.017 30 20 JKED Cc1cc(=O)oc2cc(OCC(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)ccc12 915650319 XTYQLFDEELMHMU-UHFFFAOYSA-N 499.470 5.057 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 915863190 UZELDROXFPJRIF-XMMPIXPASA-N 451.551 5.586 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)c1ccc(N2CCOCC2)c(F)c1 916128471 FOQOLORBYKAZKG-NTMALXAHSA-N 453.945 5.073 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C(C)C)cc1 916206240 MTGFLUAVROQTAM-NRFANRHFSA-N 475.561 5.085 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(OC)c2)cc1 916206501 RURDAAYKPFQZNV-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccco3)C2=O)c1 916207192 CGCRSHYVSVCVSU-HSZRJFAPSA-N 493.585 5.074 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CC2)C1=O)Nc1ccccc1Br 916209370 KIKCUEGTKXZGLX-KRWDZBQOSA-N 478.799 5.225 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 916722547 ORFVKLAILHEVDZ-QRPHSONGSA-N 489.041 5.302 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 916898988 HLJQGEQPQIPFNN-QGZVFWFLSA-N 496.011 5.550 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCSc1ccccc1Br 916899197 IHMUHOXOOKGKER-ZDUSSCGKSA-N 481.799 5.249 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 916902902 LOYBZDNIBUJXAG-KOEDOTQGSA-N 468.937 5.885 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCSc1ccc(Cl)cc1 916903663 VFYZRNNIZVJGMK-INIZCTEOSA-N 451.375 5.530 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 916907914 NWSCGKDZLNFKDH-RUZDIDTESA-N 499.561 6.518 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cs1 916946394 SXOIKAUFEKMIKY-IBGZPJMESA-N 476.410 6.012 30 20 JKED CCOC(=O)Cc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917560508 OWZZQOPKENTJGE-RAXLEYEMSA-N 468.962 5.483 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1 917697368 ZBLLSSWWPOJMSM-OAQYLSRUSA-N 496.495 5.034 30 20 JKED CCOc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)c1 917703362 LNLLHZYFUYYDMM-XMMPIXPASA-N 484.581 5.117 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCSc1ccccc1 917704036 QWEQEULKSPSEDM-QHCPKHFHSA-N 486.622 5.311 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)C(C)(C)C#N)c3C#N)C(C)(C)C2)o1 919350424 SUKYTELUHRDXTN-CLFYSBASSA-N 463.559 5.331 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 920008938 FAVPSQLWFCBVOQ-UHFFFAOYSA-N 459.160 5.762 30 20 JKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 920105810 FMZXSHJHXJFLLR-HNNXBMFYSA-N 488.432 5.397 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(Br)cc4)CC3)n2)cc1 920142907 NIRCNZABYTXEBM-SFHVURJKSA-N 453.361 5.489 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(Br)c2)s1 920168262 JTNQWTLPNZVNIU-FZKQIMNGSA-N 492.464 5.180 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@@H](C)c2ccc(F)cc2)C1=O 920168767 BRXNVOIELSGXLD-ACJLOTCBSA-N 481.565 5.012 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806498 MHBLLBNQYNSROF-HNNXBMFYSA-N 468.916 5.785 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1C 920854213 KGVDFIDKCYUMME-SANMLTNESA-N 459.553 5.988 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)cc2)CCC1 1785798099 IRYUKQCFRKERKD-REWPJTCUSA-N 481.637 5.102 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc3)CCC2)C1 1786241188 XRCPMKQUZGGCAQ-QHCPKHFHSA-N 483.653 5.416 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3c(F)cccc3F)CCC2)cc1 1788650002 NJULAXDLAGKRIH-VAWYXSNFSA-N 480.536 5.142 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5s4)cc3)CCC2)ccc1F 1788971353 NTAGHJKSPUBEFO-UHFFFAOYSA-N 484.556 5.297 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cn3ccc4c(F)cccc43)CCC2)cc1)C(F)(F)F 1791302537 PULXKBBIDTXADO-UHFFFAOYSA-N 459.443 5.033 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)c4ccccn4)cc3)CCC2)cc1C#N 1791943745 FUNQUEOEZCBCJZ-HXUWFJFHSA-N 482.584 5.292 30 20 JKED COc1cc(F)ccc1CC(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1792363045 DDSBYVCFRDEVAP-VAWYXSNFSA-N 492.572 5.012 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2cc(Br)ccc2c1 1801013939 CFIAUHKCEWRFCS-KOUNCHBCSA-N 482.422 5.018 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(OC)c2)[C@H]1c1cccnc1 1802501920 DELBJVFKIGLSFN-CVDCTZTESA-N 470.013 5.056 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)cc1 1802686783 RBDNMGZJWQYMPS-VPFCVVCASA-N 472.633 5.083 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC[C@H](CNC(=O)C(C)(C)C#N)[C@H]3c3cccnc3)ccc21 1802690892 DLNTWDHYIXIPMV-AJTFRIOCSA-N 493.611 5.079 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)CC1 1802966691 HBFQMNLMTHKYGY-MWLAQPAQSA-N 478.036 5.009 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC2(CCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)CC1 1804775226 WSUFFFROOFAERU-SANMLTNESA-N 490.594 5.367 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1807479100 YWWSPFFLTFLKAV-AHWVRZQESA-N 483.603 5.274 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1807479113 YWWSPFFLTFLKAV-RSXGOPAZSA-N 483.603 5.274 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1808596884 LEMXYQCDRHPHRS-SHQCIBLASA-N 482.628 5.456 30 20 JKED N#CC1(C(=O)N2CCCC3(CCN(C(=O)c4ccccc4CSc4ccccc4)CC3)C2)CC1 1809500442 WDCCVNACZUKPCA-UHFFFAOYSA-N 473.642 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1810168845 QUJBANQPGWGBJD-JBBQQGGESA-N 496.051 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1810173775 QLLHLVLGYHEGRX-IRYADYCUSA-N 496.655 5.389 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1810173789 QQPXFHAPSYTILR-LGVFNWMJSA-N 474.630 5.088 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc4cc(-c5ccccc5)ccn4n3)C2)CC1 1810451353 AYGVEJSUFJJPEE-QFIPXVFZSA-N 470.617 5.058 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(F)c(F)cc4nc3Cl)[nH]n2)C1 1814397022 PQLLANZEGABSQO-FQEVSTJZSA-N 485.922 5.162 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)[nH]n1 1814444202 XWUUYESWTNSRMY-FQEVSTJZSA-N 468.598 5.034 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)cc1Cl 1814570188 SOWJWWRLWMPLSL-SFHVURJKSA-N 492.407 5.359 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1814738808 OWASSUKJZHOMTL-DKOVKCOZSA-N 493.567 5.366 30 20 JKED CC(C)n1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(F)(F)C(F)F)[nH]n2)c(C(F)(F)F)c1 1818213324 KVVSPUMINIWNNE-AWEZNQCLSA-N 497.415 5.017 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)n[nH]1 1818434855 PGWJQSDWLXUDLK-QFIPXVFZSA-N 491.979 5.360 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1819385156 KXDHJRXNKIDLRY-XMMPIXPASA-N 487.680 5.315 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)[nH]n1 1819552842 FRISEPGCQXGDLG-GOSISDBHSA-N 475.037 5.313 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)ccc2OC)n[nH]1 1820652689 RUOIIFYSPXGENO-FQEVSTJZSA-N 456.974 5.146 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]n2)cc1 1821179230 SYPJGVKNLWJCAI-RUZDIDTESA-N 481.600 5.294 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)[nH]n2)cc1 1821182284 YYSAAIOYTVMQAI-DEOSSOPVSA-N 498.974 5.297 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821286708 BCJUPRWPLAVVNC-QAPCUYQASA-N 473.401 5.116 30 20 JKED C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310375 RGYQMCFEAJKDFU-WNYOCNMUSA-N 473.499 5.042 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)c1Cl 1822961282 JTGOEVYOAMENQO-RKLYKTOLSA-N 465.985 5.211 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(C)c1 1823214322 BKHWHIROLSSMTA-RLWLMLJZSA-N 498.631 5.462 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1823717125 SMCNPZCLOWSZDB-XBRXYFHMSA-N 482.671 5.272 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1823811262 BXSBMWFKZRDPFO-VWLOTQADSA-N 489.019 5.169 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1823911519 AIQHKMPWBUEORA-RUZDIDTESA-N 481.999 5.135 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)cc2Cl)CC1 1824146148 SEKYMIVWQVCKCG-XMMPIXPASA-N 459.030 5.350 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1824539925 FCTRRLGNOWVQQP-PMACEKPBSA-N 489.028 5.129 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1)c1ccc(O)cc1 1826262185 CEMGERGODPWRQM-BDYUSTAISA-N 464.650 5.089 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)cc(C(F)(F)F)c1 1826530291 MLCPUIYJBXASEQ-ZUCPIXAKSA-N 495.545 5.524 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828251514 UCFWFPHICCAHQU-HSZRJFAPSA-N 467.679 5.830 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1)c1ccc(O)cc1 1828317114 HPSZFHJWTSRMPU-LBNVMWSVSA-N 497.639 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828414265 GZOIDAVVJHRMHO-URXFXBBRSA-N 454.577 5.292 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c1 1828678578 OESWZJJPXFAZFM-XMMPIXPASA-N 472.614 5.024 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1828773932 SSCGKFVRHVTLBP-GBXCKJPGSA-N 495.714 5.353 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 1828827930 ZUXQAEDZWOETDO-RBBKRZOGSA-N 489.454 5.156 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1828886297 NCYOSGVSWHBZKC-CTNGQTDRSA-N 489.081 5.361 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2OC)CC1)c1ccccc1 1829486408 BFFOWAUKCVQCMO-RPWUZVMVSA-N 478.658 5.187 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)cc1 1830631973 UKJNOIYTCAUIDN-HSZRJFAPSA-N 488.613 5.016 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)CC2)C1 1830827828 WUIJQUUOEBNXCI-XMMPIXPASA-N 451.998 5.088 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1830994988 KZIZEEQOUJAART-XMMPIXPASA-N 474.992 5.240 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)c1 1831060550 QKPCCZUZQFTCCK-VWLOTQADSA-N 480.568 5.333 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1831444654 QAJCJMOUJHHDPG-DEOSSOPVSA-N 497.586 5.202 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831851569 KTZVTXPRZVSWEM-DEOSSOPVSA-N 473.642 5.486 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)s2)CC1)c1ccc(O)cc1 1831922335 ZTWAXWJHOKNKQM-JTHBVZDNSA-N 482.621 5.023 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(O)cc1 1831924066 ANARQNWONIAAPA-WXVAWEFUSA-N 494.582 5.101 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 1832031304 JLHRGMWPWPDVLC-QFIPXVFZSA-N 495.408 5.154 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)CC1 1832169668 BWFDCTPZAXTLIR-FCRGVEGXSA-N 499.540 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3F)CC2)c1 1832633300 GKKJSWQEUWQMRN-HOYKHHGWSA-N 465.544 5.139 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 1832633807 NRDQCKAFFANAJR-KBMIEXCESA-N 464.009 5.514 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1832663239 FDYGYRLAFVXHLE-DEOSSOPVSA-N 494.035 5.086 30 20 JKED Cc1cccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832704533 OBSDCKAWWLIJKF-RUZDIDTESA-N 491.607 5.340 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C)cccc3Cl)CC2)CC1 1836697863 YRSADEJTCSBQAS-UHFFFAOYSA-N 459.030 5.029 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2F)C1 1846883253 VCEIICNPYKMVOA-UHFFFAOYSA-N 492.366 5.133 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(NCc3ccccc3)s2)ccc1Cl 9862132 ABOMLZVPLMMHMO-UHFFFAOYSA-N 458.012 5.151 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(OC(F)F)cc1 10172716 IMPYEHBMZYSSAM-UHFFFAOYSA-O 461.941 5.842 30 20 JKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)c(Cl)c1 10178863 ZCCCYKJNFXPQRN-UHFFFAOYSA-O 454.015 6.124 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3cccc(Br)c3)o2)ccc1Cl 10347637 CFBGQTIEVOMXFE-UHFFFAOYSA-N 491.798 5.500 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)n(C2CCCC2)c1C 10469786 MEHOWZWVCOFFKL-UHFFFAOYSA-N 485.997 5.438 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccccc1C(F)(F)F 11156815 VIGAXJRVJMIHBQ-UHFFFAOYSA-O 474.484 5.514 30 20 JKED Cc1ccccc1N/C(S)=C(\C(=O)c1cc(C)n(C)c1C)[n+]1ccc(Cc2ccccc2)cc1 11167451 UXKCQHZILXJRHZ-UHFFFAOYSA-O 468.646 5.880 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)=C(/S)Nc1ccc(C(C)C)cc1 11264284 OIOJFYQKZREDLQ-UHFFFAOYSA-O 478.638 5.442 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(Cl)cc3)n2)ccc1Cl 11272729 SFBPPJPXOLNSKC-UHFFFAOYSA-N 474.369 5.529 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1CCC1=CCCCC1)C(=O)Nc1ccccc1C#N 11461414 WCARKWYHUKXOSI-SFHVURJKSA-N 458.587 5.278 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)n(C2CCCC2)c1C 12475954 LPVUSUCHFMXAOO-UHFFFAOYSA-N 496.946 5.537 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3C2)nc2scc(-c3ccccc3)c2c1=O 14226290 URBHFAUOPMGNIV-UHFFFAOYSA-N 479.652 5.050 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SC[C@H](C#N)CCC#N)cc1Cl 15240015 DIYATGGWJKIDCR-BGARDKSCSA-N 456.980 5.331 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(\S)Nc2cccc(Br)c2)[n+]2ccc(N(C)C)cc2)cc1C 15247718 PVYAGICXKGJQEJ-UHFFFAOYSA-O 497.482 5.779 30 20 JKED CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 16408076 YAEODLGQMQEPNG-RMKNXTFCSA-N 455.264 5.472 30 20 JKED Cc1sc2nc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)n(C3CCCC3)c(=O)c2c1C 22138487 CZEUHHQKFIYAIY-MRXNPFEDSA-N 458.653 5.013 30 20 JKED Cc1ccccc1-c1cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c2cnn(C(C)C)c2n1 22393482 VPXNMCZMFRNHOV-HHHXNRCGSA-N 496.590 5.149 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22695719 FODJLVXVWCXFJY-UHFFFAOYSA-O 451.615 6.233 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2ccncc2)cc1C 24477340 ZKGGUZKNFDPJJU-OAQYLSRUSA-N 482.613 5.374 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc2c(c1)CCCC2 28793770 PXDTWNHKIOUGBM-UHFFFAOYSA-O 474.650 5.614 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 213228292 WKBPKKZNAASWBD-ATVHPVEESA-N 497.016 5.519 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F 254625643 ZTSSZYJTTVJJKG-DEOSSOPVSA-N 486.572 5.510 30 20 JKED aggregator O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1ccccc1Br 255841618 SIPWKBNDFVAIGU-LJQANCHMSA-N 484.375 5.203 30 20 JKED CCN(C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[C@H](C)c1ccc(C#N)cc1 302949950 BVYDJLPVECDOEP-IAGOWNOFSA-N 453.995 6.098 30 20 JKED Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4SC[C@H](C)C#N)c(=O)c23)cc1 303281373 KDGVYBADROGJEX-QGZVFWFLSA-N 474.611 5.324 30 20 JKED N#Cc1ccc(-n2c(SCc3coc(-c4ccc(F)c(F)c4)n3)nc3ccccc3c2=O)cc1 483248303 VBWCEEVPBQCHPA-UHFFFAOYSA-N 472.476 5.483 30 20 JKED COc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 495405728 BDGXBJYAKZCRSG-OAQYLSRUSA-N 470.529 5.019 30 20 JKED CCCOc1ccc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OC 498486964 IZWCROAOPBREJX-HXUWFJFHSA-N 460.578 5.369 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 509105093 BRARYCHTTQICOI-TUSQITKMSA-N 453.542 5.132 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511366999 XHWXVAQJWRFUGI-UHFFFAOYSA-N 479.584 5.515 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCc3cn4cccc(C)c4n3)n2)cc1 512498239 GONRTKBWOMGEIQ-QHCPKHFHSA-N 494.576 5.844 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc(C(C)C)n2Cc2ccco2)n(Cc2ccco2)c1C 514488063 IIYPJOHANPXWRM-UHFFFAOYSA-N 492.605 5.095 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cc1 516269889 CDUZIVDBALDZFA-JXFKEZNVSA-N 499.552 5.785 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1Cl 517297887 ZNORDWCJINXYBJ-UNMCSNQZSA-N 485.893 5.744 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 518044594 YQUKCJDRVKGHTG-UHFFFAOYSA-N 496.558 5.663 30 20 JKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 518101910 WYODLYHEIZWSIL-QRWLVFNGSA-N 467.903 5.432 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 518506208 LGVOTQJFRZCBNS-GOSISDBHSA-N 496.592 5.907 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519053412 FUIGYCQTVATLLI-UHFFFAOYSA-N 451.530 5.837 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 520824905 HJBLEFAMGAUJKZ-WZONZLPQSA-N 474.586 5.469 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 520826147 BLIAWQSVKYCMSJ-INIZCTEOSA-N 494.414 6.205 30 20 JKED N#C[C@H](NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(OCc2ccccc2)cc1 552450429 IUBUNELKGJRCLP-QPPBQGQZSA-N 494.517 5.277 30 20 JKED C=CCN(C(=O)CSc1ccc2c(c1)CCC2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 577521012 JTGOIOZJAWEONS-UHFFFAOYSA-N 484.668 5.014 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccco1 594518851 PSVGRNVVISGULG-JKQORVJESA-N 453.593 5.199 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC(C(=O)c4ccc(OC)cc4)CC3)c2)c1 603686003 LNKMFHFWMYUODA-UHFFFAOYSA-N 496.563 5.008 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603758910 OMVWZUOJXPZSMY-QFIPXVFZSA-N 478.017 5.864 30 20 JKED Cc1c(NC(=O)Nc2cccc(C#N)c2)cccc1NC(=O)c1ccccc1I 603960784 VYEWSSZPMIOHAP-UHFFFAOYSA-N 496.308 5.368 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3ccc(NC(=O)c4cc5ccccc5o4)cc3)cn2)c1 604335843 PZAAXUFULSZQEX-UHFFFAOYSA-N 488.503 5.925 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 608797418 KSPSQAGMBASNNZ-UHFFFAOYSA-N 462.509 5.010 30 20 JKED Cc1ccc(Sc2ccc(CNC3CCN(c4ccc(C#N)cn4)CC3)cc2[N+](=O)[O-])cc1 608983220 QFNJFKBIDAITHC-UHFFFAOYSA-N 459.575 5.080 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc(OC)c1OC 609006363 BJHUUCJUDDGZDQ-SFHVURJKSA-N 496.976 5.069 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 609206741 BNDBRLHJMPWGCH-FQEVSTJZSA-N 499.489 5.581 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 609381739 SVYDWFYAQMNRFR-UHFFFAOYSA-N 486.519 5.400 30 20 JKED CCCOc1c(Br)cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 609427658 XYNXOADCZLMECW-CQSZACIVSA-N 463.397 5.893 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 609430571 OAOXTPUMRFRPNZ-INIZCTEOSA-N 455.543 5.462 30 20 JKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F 613401986 VXGRBEMUXWNPGL-LJQANCHMSA-N 453.452 5.774 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(CC)cc2)c2cccs2)nnc1-c1ccoc1C 613908177 QGAAHDUPOFAGPG-HSZRJFAPSA-N 478.643 5.654 30 20 JKED O=C(c1c(F)c(F)cc(F)c1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518272 ZMSZFPPVJVJALG-ZDUSSCGKSA-N 475.282 5.494 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 642281784 QJKVLYXSLVFMLY-QFIPXVFZSA-N 473.579 5.125 30 20 JKED COC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 726321856 OCXXAICGRKYONC-YLJYHZDGSA-N 489.626 5.245 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)o1 726356919 IIEACXAOLBLMKW-JOCHJYFZSA-N 474.582 5.461 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 726401598 UDTZQQVIKOHKCH-BEFAXECRSA-N 479.524 5.091 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)c1 726404880 HFUKMHDBERTRQW-AREMUKBSSA-N 490.588 5.377 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@@H](C)c1cccs1 726421010 NPRQRGRVPKKPPH-CFKGYVGISA-N 486.594 5.082 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCc3ccccn3)C2=O)cc1 726422275 WBNREPQONAXHRX-IAYWTGDDSA-N 478.643 5.084 30 20 JKED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 727134469 YAPOJYHQZBJQPI-DQEYMECFSA-N 455.558 5.417 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccccc2Cl)n1 727626456 CEASHNZYDPIARM-LBPRGKRZSA-N 450.734 5.731 30 20 JKED Cn1cc(C(=O)Nc2cccc(OC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)cn1 727956242 OWJUHRFEWKCDJG-UHFFFAOYSA-N 468.538 5.056 30 20 JKED CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)n2)cc1 728308112 XWIZZRONRMYRIS-UHFFFAOYSA-N 497.624 5.410 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728778201 RIVIJKKSRJBGIH-HXUWFJFHSA-N 470.982 5.003 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(CC)cs2)c1 729461244 IBBJRTZVNWYNLT-UHFFFAOYSA-N 492.022 5.001 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c1 729634178 JBXIFYDUFWEDQK-HSZRJFAPSA-N 494.567 5.391 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)N[C@@H](C)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1 729670114 MGAHZCCHYSWRLA-FQEVSTJZSA-O 499.612 5.234 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CCC2)cc1 730461049 KODJRBAGBLUKEG-LJQANCHMSA-N 491.585 5.523 30 20 JKED Fc1ccc(-c2nnc(S)n2N=Cc2csc(-c3cccc(Br)c3)n2)cc1 730549169 ULWUWQOJYAPVFJ-UHFFFAOYSA-N 460.357 5.141 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1CC(F)(F)F 730723389 FTCVBQRGTBDGGK-QGZVFWFLSA-N 493.555 5.246 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943621 HNDCYUCWDOXUIN-GAJHUEQPSA-N 476.577 5.505 30 20 JKED CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1ccc(COc2ccc(C#N)cc2)o1 731023120 PGGGCTYHHWSZQP-UHFFFAOYSA-N 487.556 5.348 30 20 JKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 731040286 PXUCBMSQDUOQMU-IAGOWNOFSA-N 469.566 5.153 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1ccccn1 731307221 DKWFZGBJAMZWIW-SBUREZEXSA-N 474.586 5.071 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731310586 KZHAHMCVZHGSHQ-ZCYQVOJMSA-N 489.572 5.643 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2cccs2)c1 731315566 IIIDTFMPRXPAGP-SBUREZEXSA-N 489.622 5.027 30 20 JKED CCOC(=O)/C(=C/c1cccc(OCc2ccccc2C#N)c1)c1nc(O)c2c(C)c(C)sc2n1 731317830 DEBUNMCSUAIGOA-LPYMAVHISA-N 485.565 5.568 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 731400607 RCSSMZQQVGMKDP-SFHLNBCPSA-N 472.655 5.724 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(-c3ccc(F)cc3)s2)n(Cc2ccco2)c1C 742515793 UGMZZLTZAATVDC-UHFFFAOYSA-N 477.517 5.281 30 20 JKED COc1cc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1S(C)(=O)=O 747061074 CVVHEMQUBDTWSV-HJWRWDBZSA-N 467.490 5.137 30 20 JKED COc1ccc(/C=C2\SC(=NN=C(C)c3cccc4ccccc34)NC2=O)cc1OCCCC#N 747445922 QKXQSENNXDHQQB-MMSUECENSA-N 484.581 5.515 30 20 JKED C=CCn1c(SCC(=O)OCc2cc(C#N)ccc2F)nnc1-c1ccc(Cl)cc1Cl 794266137 MRVUKQJAYCANTJ-UHFFFAOYSA-N 477.348 5.284 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(CC(F)(F)F)C1=O 799215564 UYLLZRAGTUJPSS-FQEVSTJZSA-N 493.551 5.615 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CCc1c(C)nn(C)c1C 809810948 TZGKEQGBLFUDEA-QHCPKHFHSA-N 477.590 5.191 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 837361904 BGZUZZZZNQTYID-YADARESESA-N 488.613 5.429 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O 838579399 KOHZRNOHURJNHM-LJQANCHMSA-N 479.936 5.058 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(NC(C)=O)c1 913118519 VXRACJUXKQKPMY-HSZRJFAPSA-N 474.586 5.169 30 20 JKED N#C[C@H](C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2cc(C(F)(F)F)ccc2s1 915104634 UTOONGGLDHIUOB-ULYJJNKVSA-N 475.536 5.214 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)CSCC#N)c2C#N)C(C)(C)C1 915387304 GUGNIUQSBWFTRK-PLNGDYQASA-N 497.667 5.506 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166405 FYFUHQAYWOHQAI-IBGZPJMESA-N 494.857 5.432 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccco2)C1=O 916205156 HTDFLAQOASRDSI-QFIPXVFZSA-N 481.549 5.368 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2cccc(C)c2)c1 916207074 UIRVJBRWQYFPFW-DEOSSOPVSA-N 489.597 5.173 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCOC)cc1 916213170 ATXBLKXCBQCPCO-SFHVURJKSA-N 480.417 5.163 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCc3ccccn3)C2=O)c1 916215507 XBUUGPXNMDADHA-QHCPKHFHSA-N 493.032 5.555 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1nc2ccccc2s1 916627290 LEMKHCQCNJIISD-MRXNPFEDSA-N 474.007 5.004 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(F)cc2)nc1C 916901323 FEYGXOSFAUAGDH-HNNXBMFYSA-N 457.914 5.189 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 916911588 NKGHSGFCGXDRIH-SFHVURJKSA-N 496.748 5.316 30 20 JKED N#C[C@H](C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 917026444 ZCXQBNBCCQKQPK-OAHLLOKOSA-N 460.437 5.416 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)cs1 917560430 YFSCHCOPIAKUBQ-LFIBNONCSA-N 459.615 6.413 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 917701025 QEVSTTPQOBIDAG-CLOONOSVSA-N 480.593 5.956 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc2ccccc2c1 917702066 XJXFHQJRNSKSRC-HSZRJFAPSA-N 461.587 5.145 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCc1ccccc1 917702350 FNTBKEICZCKHCX-DEOSSOPVSA-N 486.572 5.290 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1CC1CCC1 917707024 ITKSVNRWOSVCON-HXUWFJFHSA-N 497.418 5.081 30 20 JKED Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNc2ccccc2Oc2ncccc2C#N)cc1 917812690 BGFXPYXVBRNRPW-UHFFFAOYSA-N 491.551 5.035 30 20 JKED C=C(Br)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 918715609 MFRYJOGTTYPQFN-UHFFFAOYSA-N 460.788 5.319 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 920106527 QYTPXVYRMSROLX-SFHVURJKSA-N 451.486 5.267 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 920106674 WMLUAVXJWRXBHJ-SFHVURJKSA-N 477.977 5.092 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920806241 JBAQIQHXTWWFCZ-INIZCTEOSA-N 469.513 5.854 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1C 920893541 XFHOTPSCMYBGAW-UHFFFAOYSA-N 486.616 6.123 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4Cl)CCC3)cc2)c(O)n1 1787173293 XWJZPOPCJDXKGP-UHFFFAOYSA-N 476.964 5.016 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cc(C)oc4C)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1787345279 NHQQZVIAGLOKMW-QHCPKHFHSA-N 493.604 5.210 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)c4ccccc4c3)CCC2)cc1 1787885763 MPOFRVLGIQIZNN-UHFFFAOYSA-N 476.374 5.654 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2)CCC1 1788685458 ITHFRFBXVMDMTG-GOSISDBHSA-N 491.617 5.062 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccn4)[nH]n3)CCC2)cc1 1789508034 DEOUSDVHKBGXGD-UHFFFAOYSA-N 499.691 5.271 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)CCC1 1790675657 DPOFADOKIVXMTK-NRFANRHFSA-N 461.606 5.016 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4CCSCC4)CCC3)cc2)ccc1Br 1790746559 BZKYPTHXHDGJDI-UHFFFAOYSA-N 498.446 5.212 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)c(Cl)c1 1790765833 HZIJMDBSNVPUPZ-JXMROGBWSA-N 490.903 5.174 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4occc4Br)CCC3)cc2)c1 1790795050 RGHMCTOQXQSGFV-UHFFFAOYSA-N 478.346 5.284 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)C[C@H](C)Oc4ccccc4)cc3)CCC2)c(C#N)c1 1791145560 HWBNBGLDGKREGY-NRFANRHFSA-N 497.595 5.101 30 20 JKED Cc1ncc(/C=C/C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)s1 1791956609 CVKNOQFDYLWDSF-ACCUITESSA-N 470.598 5.103 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5[nH]ccc5n4)CCC3)cc2)c1 1792123452 BYBVBACGAAXXNL-GOSISDBHSA-N 463.541 5.251 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCn4cccc4)CCC3)cc2)c1 1792126583 GEJZNABZNOGETO-OAQYLSRUSA-N 454.574 5.343 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCC3)CCC2)cc1 1792266321 MNZBCLJLOLUTLD-XMMPIXPASA-N 481.637 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)Oc1ccc3ccccc3c1)C2 1793052011 QEMZJJSLCVLRIN-QEIWAGNOSA-N 460.618 5.404 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1794072210 ARWHPWCVQZVNLL-IZYRAQSGSA-N 461.071 5.171 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C(C)C)cc1C(F)(F)F 1797021453 GNFJJLFLISGTNY-RDGPPVDQSA-N 451.533 5.108 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cc1C#N 1797879315 PKCFGJVANKFQAT-CDVVOCGSSA-N 477.649 5.204 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1F 1800851414 IWMVNKSLQAKQFT-UEQSERJNSA-N 464.556 5.652 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)[C@@H]1c1cccnc1 1802498635 CIQROSXCTGFCHE-VJGNERBWSA-N 490.692 5.163 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)CCc4ccc(C#N)cc4)C3)CC2)cc1 1804762678 GYLZORADEGVYJP-UHFFFAOYSA-N 487.644 5.213 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CCCC3(CCN(C(=O)[C@@H](C)ON=C(C)C)CC3)C2)cc1 1805364102 QQJJDPBYQSHBHF-DKUDOZJNSA-N 481.681 5.465 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1808900340 DDLWIOKMQDAWNG-ATIYNZHBSA-N 493.051 5.533 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1810171088 CQPQAWOVRJNKHO-LGRSBPMCSA-N 469.585 5.315 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1810173481 JDGRQECQTMNGRY-XLGIIRLISA-N 498.652 5.637 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1810181672 JMDVPDQVBFULOE-REUBFRLUSA-N 459.634 5.222 30 20 JKED Cc1ccc(S/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)[C@H]2c2cccnc2)cc1 1810243331 FCUXROZXRHYLOW-JOFKXORYSA-N 496.636 5.196 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1C 1810271059 CKFXMDPWQSUWHF-BDYUSTAISA-N 475.709 5.069 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1810415402 QZLNHIRFMJSBTO-SPNHWYPBSA-N 482.584 5.033 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCCC(F)(F)F)[C@H]1c1cccnc1)c1ccccc1 1810440213 HCBUGPVRXLPVNW-CUYJMHBOSA-N 485.550 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810498745 PTMOELSUWPFDOJ-XBBJSIGRSA-N 477.674 5.694 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1810504505 ZSZIZRAYHHWBSP-NZQKXSOJSA-N 454.014 5.355 30 20 JKED Cc1snc2sc(C(=O)N3CCCC4(CCN(C(=O)CCc5ccc(C#N)cc5)CC4)C3)cc12 1810512106 FOIFGABDRBQPJO-UHFFFAOYSA-N 492.670 5.016 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3cnco3)c2)[C@H]1c1cccnc1 1811371519 GWTUTUOPRHIPNG-ILBGXUMGSA-N 472.589 5.049 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1)C(F)(F)F 1811441299 GRSDZYLOUFBFIN-URXFXBBRSA-N 497.492 5.326 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(Cl)cncc3Cl)n[nH]2)c1 1814366986 PAPZKUHTVMZRTE-JLTOFOAXSA-N 497.386 5.358 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccc(Br)cc4)CCC3)[nH]n2)C1 1814398786 RRPNSONSMXMWJV-OAQYLSRUSA-N 497.437 5.252 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)[nH]n1 1814441577 BPDUGTXNNWFZTJ-FQEVSTJZSA-N 497.043 5.572 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1815656581 XAYDDURRYZGWNR-HSZRJFAPSA-N 496.583 5.580 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3nc(-c4ccccc4)sc3C)n[nH]2)C1 1815798895 PWHYUYKOZIZSKR-JOCHJYFZSA-N 475.618 5.043 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c(O)n1 1816242057 XKHNLQNLECDLHT-HXUWFJFHSA-N 497.958 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)C3)n[nH]1 1817943904 RUZXNABMTBQUFB-NRFANRHFSA-N 464.610 5.422 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)sc2C1 1818647518 OUUZNNPRLYSPNP-LCCNYURCSA-N 490.629 5.027 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)[nH]n1 1819305010 BJLJPHKUCXFORH-REWPJTCUSA-N 460.578 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)[nH]n1 1819306617 ABKCBMGETODQQD-AOMKIAJQSA-N 467.520 5.244 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1819307447 UWZQJFAXZXZDCS-DOTOQJQBSA-N 454.621 5.760 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(OC)cc3)CCC2)[nH]n1 1819309220 OWUKZOZRNDRXSO-VWNXMTODSA-N 476.621 5.301 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc([C@H](C)C#N)c1)CC2 1819503241 RZVFVTZWFJRYJZ-VKJFTORMSA-N 496.683 5.238 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)[nH]n1 1819557004 SROXRZLSBQRGQL-OAQYLSRUSA-N 482.625 5.044 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)c1 1819965170 DUTOJXYDOHCFSA-INIZCTEOSA-N 492.363 5.408 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)c1 1820508211 ZLKGLEPCWXYACB-HXUWFJFHSA-N 468.344 5.208 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@](C)(OC)c3cccc4ccccc34)n[nH]2)C1 1820702938 RXEIKTMVYDUFMW-RBJSKKJNSA-N 472.589 5.083 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)ccc1F 1821119537 WUBLSOKSRKPERH-UZUQRXQVSA-N 459.525 5.104 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(C#N)ccc4F)n[nH]3)c[nH]2)cc1 1821271248 MHMXZPIFWNRKCE-VWLOTQADSA-N 496.546 5.344 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1ccccc1 1821278810 WBXWWBFFKIIMBT-KSFYIVLOSA-N 461.953 5.044 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccccc3c2Br)n[nH]1 1821533332 ZNFIGWBVOOPADA-FQEVSTJZSA-N 479.378 5.045 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)C1 1823697972 YZQATUFLQLHFNX-XMMPIXPASA-N 476.583 5.614 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1824502239 BUMGGYDAKGNMDN-QFIPXVFZSA-N 484.534 5.061 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 1824761000 FDIZEVRDXFXSMS-LOSJGSFVSA-N 497.680 5.006 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)CC1 1826201861 JDXCLGPSHZWRGD-QGZVFWFLSA-N 471.589 5.388 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](S)C(C)C)CC1 1827332392 PZDPGNUNBKITGX-AHWVRZQESA-N 479.690 5.245 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3ccccc3)n2)CC1 1827763103 IADYXIUJROJFDQ-DEOSSOPVSA-N 467.560 5.193 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827996886 KGKNKRNGTSZGQG-HHHXNRCGSA-N 466.585 5.049 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321027 FZVSSJAULYXSPR-MGZHSMRGSA-N 498.048 5.500 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828828677 PHZHXZJQMUBKCT-NLFFAJNJSA-N 469.576 5.448 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829418912 FKJSLFYWTAILIQ-QHCPKHFHSA-N 481.662 5.026 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1Cl 1829685803 QIZFRURFWXMJCN-NNAHLOSHSA-N 493.957 5.178 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)c1 1829954892 RYEYJTNKSPERFW-MHZLTWQESA-N 478.596 5.167 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)CC1 1830590719 PDTSOQPAWBBSOA-ATIYNZHBSA-N 451.655 5.122 30 20 JKED Cc1ccc(NCCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c(C)c1 1830631814 PAULNXWMQIIAGJ-NDEPHWFRSA-N 486.660 5.105 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830632811 ZNMIAOLZXCEMNY-RUZDIDTESA-N 494.035 5.352 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3[nH]c4ccc(Br)cc4c3C)CC2)C1 1831059590 INTHDPRYZJHUGC-HSZRJFAPSA-N 498.465 5.438 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C#N)CC1)c1ccc(Cl)cc1 1831306168 SIQFOFRLZZWSME-XZOQPEGZSA-N 458.046 5.249 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1831445566 OXOOKGOOSJXJNS-YPAWHYETSA-N 464.984 5.275 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1831856035 TYKRMYDLRQIEMJ-HSZRJFAPSA-N 469.423 5.412 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1832029987 BTSUDZCLDSYWHQ-JOCHJYFZSA-N 496.545 5.194 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Sc2ccccn2)CC1 1832168163 MLIQRRIKPGSWBQ-RBBKRZOGSA-N 457.684 5.174 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Sc2ccccn2)CC1 1832168165 MLIQRRIKPGSWBQ-UNMCSNQZSA-N 457.684 5.174 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)cc1C#N 1832703268 ICDKYEACPXFXSR-AREMUKBSSA-N 498.627 5.374 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832730943 BXCUILHACKAUDK-YADARESESA-N 456.602 5.060 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3c[nH]c4ncccc34)CC2)c1 1832866079 JBWPAJUHBSJVRD-JIPXPUAJSA-N 497.643 5.056 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CC1 1838799842 QDBIQUYUXDPDRJ-UHFFFAOYSA-N 498.973 5.165 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(Br)c3ccccc3c2)C1 1843315161 UPSRFZCRVXNRPN-HXUWFJFHSA-N 467.407 5.188 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10757503 TVMPVFALZKWTCM-UHFFFAOYSA-O 482.453 6.830 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 10837606 BMWBCHQDRAATMI-UHFFFAOYSA-N 473.620 5.039 30 20 JKED CCn1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17126242 BYMBPHJNGSAGGB-IZHWHUGBSA-N 486.638 5.128 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccc(OC)cc1 17710139 PRWMYGOXINNWGC-DEOSSOPVSA-N 490.654 5.508 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1F 22732073 GMOITPLDFRNNGM-UHFFFAOYSA-O 450.342 5.485 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)NCCc2ccccc2)cc1 22735510 WPYMSXDOLRLGOZ-UHFFFAOYSA-O 496.494 5.805 30 20 JKED O=C(/C(=C(/S)NCCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1cc(F)ccc1F 22735560 CMCUVHOWPRLNBH-UHFFFAOYSA-O 487.595 5.614 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28649220 PTGXJYUIBLBERU-UHFFFAOYSA-O 475.634 6.008 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccccc1 303311323 FSEVKMYAOBBLRM-UHFFFAOYSA-N 486.519 5.418 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 303318516 HHKUGCDUROQERT-INIZCTEOSA-N 460.584 6.162 30 20 JKED CC(C)(CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Cl)c(Cl)c1 409629433 HPGUTLILNQOKKQ-UHFFFAOYSA-N 473.404 5.203 30 20 JKED CCCOc1c(Br)cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1OC 481828672 DNIFXFNNJGWLTJ-UHFFFAOYSA-N 487.272 5.312 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 487383410 CUPNAVBKOYWFMY-UHFFFAOYSA-N 465.376 5.339 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)n2Cc2ccco2)c1 494299518 XUCKMEVJQRMOET-UHFFFAOYSA-N 481.581 5.738 30 20 JKED CC(C)c1sc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nc1-c1ccccc1 498378549 VJPXVDXYGSYWQT-UHFFFAOYSA-N 453.589 5.263 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2oc3ccccc3c2COC(C)C)cc1 505620427 OFFYNRRLBJOVOE-UHFFFAOYSA-N 456.498 6.283 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)cc1 505743392 GXCBEOPNYOHLQJ-UHFFFAOYSA-N 498.652 5.917 30 20 JKED Cc1sc2ncnc(SCCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2c1C 509263836 NAFFGXBBTWZAJC-UHFFFAOYSA-N 488.638 6.074 30 20 JKED COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510253550 DRFLBPGPBCFYHX-UHFFFAOYSA-N 485.569 5.288 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)nc(O)c2c1C 510996025 SOKRVRIQKGUCQG-AWEZNQCLSA-N 494.564 5.098 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NCc1ccc(Cl)cc1 512956721 DXHRIXTWNBNOAX-HNNXBMFYSA-N 477.417 5.147 30 20 JKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccc(C(F)(F)F)cn1 513203068 XJDGBFGUEOYJNZ-QGZVFWFLSA-N 452.461 5.564 30 20 JKED N#C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 514775497 HRLUARHNYNBVQT-OAQYLSRUSA-N 477.952 5.200 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)NC1(C#N)CCCCC1 515488608 FAMIFSJYVRDIFA-UXHICEINSA-N 459.619 5.378 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3csc(Cc4ccccc4)n3)c2)c1 515674588 RVGMPVBRUDYCOE-UHFFFAOYSA-N 452.539 5.039 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)C2)cc1 515706139 ZFGUYAGMMLBNBN-HXUWFJFHSA-N 455.583 5.185 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)c(C)c1 516712638 NOMJDHFLMRHOLA-GOSISDBHSA-N 473.554 5.555 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516713887 MINAWYWMBFCXPA-IBGZPJMESA-N 474.542 5.655 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N(Cc3ccc4ccccc4c3)C3CC3)c2)cc1 516729667 GXEHBFHEIGWRSK-UHFFFAOYSA-N 489.575 5.615 30 20 JKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C2CC2)o1 517465677 BGMRXWVXEPSZOS-KBXCAEBGSA-N 491.535 5.557 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cn1 517903329 HPAATNBKSXEOOI-UHFFFAOYSA-N 496.523 5.877 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccs1 518158859 ROULFZZOEVOKQR-HNNXBMFYSA-N 469.554 5.615 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCSc4ccccc43)cc2Cl)cc1 518463296 WVRVYRCSWNTWQI-FQEVSTJZSA-N 463.946 5.296 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 519954354 SIFPCSBQMALMCZ-AHKZPQOWSA-N 482.584 5.113 30 20 JKED Cc1ccccc1OCCCN(C)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 520369514 JOQPNCJJZAWDSF-UHFFFAOYSA-N 473.598 5.139 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)N[C@H](C#N)c4ccc(C(C)(C)C)cc4)nc(O)c23)C1 521292396 NJSCZDVDSUHXCA-HNAYVOBHSA-N 462.619 5.133 30 20 JKED N#C[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1cccc(Cl)c1Cl 521293412 PUWKVTOLLQAMMA-LBXVMSDZSA-N 450.410 5.320 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1Cl 523582204 ZWWDXUWMTIYURL-OAQYLSRUSA-N 482.927 6.363 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 523991798 ONYDQZLRGDKFJO-HNNXBMFYSA-N 483.355 5.219 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 551330779 QMICTTGMOJZYBP-UHFFFAOYSA-N 470.554 5.778 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 560606753 TWFMJZHXVADSLQ-NDEPHWFRSA-N 460.581 5.162 30 20 JKED CCN(C(=O)c1ccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)s1)[C@@H](C)c1ccc(C#N)cc1 603737815 VAWUTEDQHIOXAT-BGYRXZFFSA-N 484.625 5.938 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 603742863 IRZJAKZOUMKHRM-UHFFFAOYSA-N 497.473 5.636 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cn2)cc1 603763821 HNQHGXAHDIGEGP-UHFFFAOYSA-N 467.382 5.341 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)c(OC)c1 603775768 PELMVKSVMDREOR-UHFFFAOYSA-N 491.598 5.189 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)c2)c1 603831586 KDFZXNNNYQEOJS-QFIPXVFZSA-N 463.541 5.703 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)cc1 603837014 SFEOANKFLJYHBR-NRFANRHFSA-N 471.542 5.378 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCCOc2ccc(F)cc2)cc1Cl 604136853 BZURBYGXYQPLSX-QHCPKHFHSA-N 479.939 5.048 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1Cl 604143420 WQMLBVJNOCASOU-XNMGPUDCSA-N 497.957 5.979 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 604562127 UYDXZSVZBSNHMV-MRXNPFEDSA-N 456.502 5.127 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1 609054449 MZKAYMBAZZJTOJ-UHFFFAOYSA-N 458.499 5.064 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2F)c1 609104945 QZTDSVVLJMHSRB-UHFFFAOYSA-N 489.381 5.378 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 609376549 CPKCMDNFWKPRFQ-GOSISDBHSA-N 458.612 6.131 30 20 JKED O=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542185 YEBWAYRZJNHERZ-HUUCEWRRSA-N 464.381 5.999 30 20 JKED O=C(c1ccc(OC(F)F)c(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517322 GHHQXYQKJIFGJI-MRXNPFEDSA-N 487.318 5.678 30 20 JKED C=CCN(C(=O)Cc1nnc(O)c2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891423 CJACCTDDCWIKRP-UHFFFAOYSA-N 478.577 5.888 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 642281461 GDCRDLSTEFMEHN-QXNBIECVSA-N 475.614 5.218 30 20 JKED O=C(Nc1ccccc1SCC(F)(F)F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643049540 KTRBQXIYWVUFOX-NXEZZACHSA-N 496.395 5.305 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CCOC(C)(C)C)C2=O)cc1 726407679 UYAIMNXNNIGREP-OAQYLSRUSA-N 499.036 5.296 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1NC(C)=O 726428679 NXTKLFDAGZFWKF-YHYXMXQVSA-N 466.877 5.904 30 20 JKED N#C[C@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 727626360 AUYAOUHBYQMSEM-HXUWFJFHSA-N 468.431 5.658 30 20 JKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728016715 SGGRXVPSDVWNSD-UHFFFAOYSA-N 493.972 5.457 30 20 JKED Cc1cc(C)c(-c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)c(C)c1 728442329 PMJFCSYVXHVJOG-SFHVURJKSA-N 460.584 5.754 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)cc1 728776150 KKZYZAPZJVEYHK-QHCPKHFHSA-N 478.618 5.356 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccccc1 728776218 AILUXHJQZWCXNJ-IBGZPJMESA-N 475.401 5.648 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)cc1Cl 728776864 CBWBAMATDDBVQP-HXUWFJFHSA-N 488.972 5.142 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCCCC#N)C1=O 728778164 QPUWSZGOMAQKAA-FQEVSTJZSA-N 470.982 5.003 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728779105 HELMMKPKJXDZDT-HXUWFJFHSA-N 472.973 5.442 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc1 729176742 MOVSEVRTKHIOBV-PKTZIBPZSA-N 461.974 5.149 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ncccc2C)cc1C 729632192 YXRUZYSDVHXNJI-DEOSSOPVSA-N 483.597 5.039 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(C)cc2)c1 729668481 LIFDYCJFSDZROC-UHFFFAOYSA-O 464.350 5.020 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 729891346 FEIANGZUARFNLM-ZWKOTPCHSA-N 468.504 5.654 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccco3)C2=O)cc1 730532726 HUOIMFWGPGTZAL-JOCHJYFZSA-N 479.533 5.090 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730942548 ROAWYVYKUWILKU-OFVILXPXSA-N 486.641 6.037 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 730944825 GNQXABSFEFKTFN-AVRWGWEMSA-N 498.583 6.095 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 731060265 DUFFLXXOENCELV-LBPRGKRZSA-N 479.410 6.255 30 20 JKED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 731278369 OQAAHPUBOGNRQP-PJKLNKOBSA-N 482.650 5.112 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc3cccnc23)cc1 744997800 VFLPFKYTPJHTIL-XMMPIXPASA-N 498.583 5.843 30 20 JKED COc1cc(/C=C2/Oc3ccc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 749747358 XVZABGVVWSRRID-SSDVNMTOSA-N 453.853 5.121 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)N=C1C 798149145 ZOIQDJYJCBGHMQ-UHFFFAOYSA-O 483.057 6.243 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 837707395 LUVSWKFPXGIZSR-QVKFZJNVSA-N 482.968 5.596 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@H](C)c2cccnc2)cc1 837834805 DUYOVTOOKUZCQO-JPYJTQIMSA-N 493.032 6.073 30 20 JKED CCOc1cc([C@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(F)cc3)=C2C(C)=O)ccc1O 839392351 IPUZGSZOLPVTEP-RUZDIDTESA-N 460.505 5.197 30 20 JKED N#Cc1cc(Br)ccc1N1CC(c2nc(-c3c(Cl)cccc3Cl)no2)C1 904309010 WDNOVOOZUFHZTD-UHFFFAOYSA-N 450.123 5.281 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3ccc(Oc4ccccc4)nc3)no2)nnc1-c1ccco1 904455420 YIXWPCFGZNESKT-UHFFFAOYSA-N 472.530 5.644 30 20 JKED CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(Oc4cccc(F)c4C#N)cc3)n2)CCC1 904558108 UALDQMBNTFKWQU-UHFFFAOYSA-N 450.470 5.444 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914548627 NSFKSYILBQCAGZ-IRLDBZIGSA-N 453.995 5.092 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694314 HGQKOPGEHZPVIW-OYHNWAKOSA-N 499.539 5.158 30 20 JKED CCOc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 914995789 YTJCEEKSEFASGW-OAHLLOKOSA-N 495.626 5.595 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 915086269 JAHSBRQLKURYEZ-RDGATRHJSA-N 457.961 5.486 30 20 JKED Cc1cccc2c(=O)n(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cnc12 915103370 UGPHMOJHSXZSHR-KRWDZBQOSA-N 483.380 5.402 30 20 JKED Cc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)o1 915116873 RHEAGCMRIOMOGK-OAQYLSRUSA-N 469.513 5.069 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2cccc(OCC#N)c2)c2c[nH]c3ccccc23)c1OC 915710497 GTTATXUHDRMXLV-QHCPKHFHSA-N 470.529 5.041 30 20 JKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C\c1ccc(OCc2ccncc2)cc1)C(=O)c1ccccc1 915984093 HTUDKUMFIHHQPF-ITYLOYPMSA-N 492.531 5.337 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1C 916206912 AVBNHTCMGLVXCW-GOSISDBHSA-N 480.417 5.217 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(C[C@@H]3CCCO3)C2=O)c1 916210685 HALPPNNZDPWEOH-FPOVZHCZSA-N 472.010 5.096 30 20 JKED CCOc1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)cc1 916231531 IOPPKJGOGHMXJL-MRXNPFEDSA-N 472.781 5.293 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=NNc3c(F)c(F)nc(F)c3F)o2)c(Br)c1 916325248 DHMHXUODMIRQLM-UHFFFAOYSA-N 459.153 5.015 30 20 JKED C[C@@H]1CN(c2ccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)cc2F)C[C@@H](C)O1 916836141 HJRZXMKKHKDDFU-NHCUHLMSSA-N 459.565 5.180 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 916956098 XSRGLSVKRREXOG-XTQVGHSUSA-N 465.981 5.053 30 20 JKED COc1ccc(SCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997271 UQZRYUXIJLIMLD-QGZVFWFLSA-N 463.411 6.484 30 20 JKED C=CCOc1ccccc1CN(C(=O)CCc1nc(O)c2ccccc2n1)c1ccc(C)c(C)c1 917366594 FUYDFFKNFURWFY-UHFFFAOYSA-N 467.569 5.683 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3ccc(Br)cc3C2=O)cs1 917559856 CYNLXYQSMRFVQM-JYRVWZFOSA-N 489.778 5.902 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc(F)cc1 917702772 JKUAFFIDBFYYOQ-JOCHJYFZSA-N 494.498 5.136 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cc1OC 917782142 ZLLOHKUMUSOAGX-GHRIWEEISA-N 456.542 5.117 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccc2c1 918306035 QSSDBAGYMJNADW-MHZLTWQESA-N 463.537 5.101 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccc(F)cc2)cc1 920204177 ALKQDLRPFSEXGW-IZLXSDGUSA-N 493.538 5.334 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@H]2c2ccccc2)cc1C 920351907 FJAVDULERZOBLU-NZJKTDFXSA-N 491.657 5.072 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920354101 YVJXKWWPOPTRGU-NRFANRHFSA-N 498.992 5.114 30 20 JKED FC(F)(F)c1ccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)o2)cc1 920368413 KUAXFTILYFMNQK-UHFFFAOYSA-N 462.884 6.385 30 20 JKED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccc(Cl)cc3)CCCCC1)C2 1782359078 DRVLFRFANXFFSZ-LEAFIULHSA-N 499.095 5.249 30 20 JKED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCCCCCCCCc4ccccc4)C[C@@H]32)C1 1783468928 GNTJEKUOCBDISQ-MYKRZTLLSA-N 480.693 5.296 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)C4(C)CCCC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1785906027 XGAYNOYRSGYEDY-QFIPXVFZSA-N 481.637 5.266 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)CCC1 1786202541 AWSGWNBFHQOZKV-UHFFFAOYSA-N 474.601 5.376 30 20 JKED Cc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)n1 1786212014 BAQJNVHOLWVOGL-UHFFFAOYSA-N 492.501 5.271 30 20 JKED Cc1ccncc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1786875435 AKFASQJUCDXLLE-UHFFFAOYSA-N 472.976 5.296 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccnc4)cc3)CCC2)cc(C(F)(F)F)c1 1786926212 BMKQHDREHOAKQG-RUDMXATFSA-N 490.485 5.433 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)c[nH]1 1787041441 WVUUKINHWNBASO-UHFFFAOYSA-N 470.573 5.011 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)nc1C 1787170924 NGZMEICRRVIKDS-UHFFFAOYSA-N 458.949 5.285 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cs1 1787528895 UZZQEHXHSKTXEJ-UHFFFAOYSA-N 450.951 5.038 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c[nH]nc5c4)cc3)CCC2)c1 1788451442 PGJZIXYJIDJAIC-SFHVURJKSA-N 463.541 5.251 30 20 JKED C[C@@H](Sc1cccs1)C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1789417858 MVUYQFNTZCEXOL-SCELWYEFSA-N 467.616 5.075 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)CCC2)cc1 1789455201 NVYMZJHLNKCUDE-HUVFLSCGSA-N 495.664 5.534 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C(C)(C)CC(=C)C)cc2)CCC1 1789628522 XJNSXMGUEXBKSQ-JOCHJYFZSA-N 481.637 5.030 30 20 JKED Cn1ncc2cc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5Cl)cc4)CCC3)ccc21 1790084005 TXVNOZNSTTVVLH-UHFFFAOYSA-N 483.959 5.160 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1790565708 AIFNDMJJRWZRKD-FQEVSTJZSA-N 470.573 5.297 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccc(F)cc34)cc2)CCC1 1791487362 TWPXIEWZDUJXTK-UHFFFAOYSA-N 465.594 5.293 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccccc45)CCC3)cc2)cc1C#N 1792168489 HDMWCILEQQVPLW-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3occc3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204324 XEVNAZAAUZCSKD-OAQYLSRUSA-N 481.593 5.195 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C(F)(F)F)c4)CCC3)cc2)CCC1 1792232728 JWUZHIGVSQBEIK-UHFFFAOYSA-N 473.470 5.215 30 20 JKED CC(C)C[C@@H](C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1)N(C)C(=O)OC(C)(C)C 1792234418 SMVDSEMEPSOTAC-QFIPXVFZSA-N 496.652 5.096 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)CCC2)cc1 1792265268 IBDXPAQMKMJTMI-UHFFFAOYSA-N 474.564 5.458 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2-c2ccc3ccccc3c2)C1 1796513498 OLYBYTJMQRUXFJ-QEIWAGNOSA-N 451.570 5.120 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1 1801401281 UXVRMEIJAAYCPI-VJLHXPKFSA-N 485.672 5.266 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(OC(C)C)c(Br)c1)C2 1801637820 SOUSEDDCQJSUGJ-MLDAHLIKSA-N 489.454 5.100 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(C)c2F)[C@H]1c1cccnc1)c1ccccc1 1802721116 JEDDMQCXOJVDCR-PNIUZAESSA-N 483.587 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C(F)(F)F)cn3)C2)CC1 1807070505 QPJLIGFQXKGALE-JOCHJYFZSA-N 477.571 5.033 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)CCc3cccs3)C2)CC1)c1ccccc1 1807224393 IMGUWNITPJIAIQ-VWLOTQADSA-N 462.659 5.109 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1808423530 TXWUGPMIBJHBRO-RLMAOMLRSA-N 493.673 5.195 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)C3(C(F)(F)F)CCC3)C2)CC1)c1ccccc1 1809604760 QIUKSVVQAGZZBX-JOCHJYFZSA-N 474.567 5.147 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)oc3cc(O)ccc23)[C@@H]1c1cccnc1 1810500203 MNSRNJJOKVAINF-NBGIEHNGSA-N 475.589 5.154 30 20 JKED Cc1snc2sc(C(=O)N3CCCC4(CCN(C(=O)/C=C/C(=O)c5cccs5)CC4)C3)cc12 1810524932 PCZRASIHKASNKU-AATRIKPKSA-N 499.683 5.012 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810588762 VDXYEUPFJUWASC-RCZVLFRGSA-N 498.067 5.834 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1811181971 PXWDDNFGWXECHL-IXCJQBJRSA-N 486.660 5.160 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c1Cl 1811417980 MYSAFCAAIXWMIC-GAJHUEQPSA-N 497.357 5.033 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1 1811890161 UUKULLZATBAGFH-YKSBVNFPSA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812508010 QBJCOPIZWPWMTR-URXFXBBRSA-N 487.566 5.341 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1812668046 PKFGBQPAUWIQMV-JTSKRJEESA-N 486.950 5.056 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1813219341 SUAGNQQILAFZTH-MYSYHGOYSA-N 491.635 5.088 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2F)[C@@H]1c1cccnc1)c1ccccc1 1813569482 ABTWAQQIRLSRMZ-VWYPKUQYSA-N 497.614 5.057 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)[nH]n1 1814439923 FUUZJINFBCGYQR-HXUWFJFHSA-N 489.661 5.089 30 20 JKED Cc1c(F)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814608653 XOVWECZNFNPPAT-NRFANRHFSA-N 465.916 5.002 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cn3ccnc3)cc2)[nH]n1 1814826804 BGAHBLYTKJCKOS-BOMYWPOKSA-N 498.631 5.128 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)n[nH]1 1816108613 CSJQJFHZQOMDAR-DEOSSOPVSA-N 489.620 5.712 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)nc3)n[nH]2)c1 1816495283 GUXCBSHFTDLNKR-QRWLVFNGSA-N 496.493 5.070 30 20 JKED CC[C@H](C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)ON=C(C)C)[nH]n1)c1ccccc1 1816847561 GCDXAHILOKBXML-SZGVKKGVSA-N 467.614 5.033 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)n[nH]1 1816942839 PFACCOVOOFYKMT-PZJWPPBQSA-N 474.527 5.432 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817947636 IQITZQAFHDYWPE-LIRRHRJNSA-N 453.974 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1819307030 MLOYAHDQRGKQIX-GCJKJVERSA-N 499.537 5.984 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)[nH]n1)c1ccccc1 1819516898 OUYMXGLZVNJXPP-REWPJTCUSA-N 491.542 5.245 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccccc4)[nH]n3)n[nH]2)c1 1820278871 XBAWUJVGXMRHSS-AVRWGWEMSA-N 493.571 5.047 30 20 JKED COc1ccc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1821172586 CPDISIDIAXXBST-QHCPKHFHSA-N 480.685 5.084 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)[nH]n2)c1 1821325322 UYAIKJFUBPVPTM-HSZRJFAPSA-N 486.963 5.344 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1)C(F)(F)F 1821993488 BNPHVFZEEHCTIN-IBGZPJMESA-N 482.462 5.734 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)c(Cl)c1 1822023568 YGNGPCVWJDFOPE-VIRVFLBCSA-N 465.985 5.067 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1)n1cccc1 1823212176 LTHGZKFXIVJXLJ-CTUHWIOQSA-N 472.593 5.186 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]n2)c1 1823217904 NJEAVZVATGCPFE-OPAMFIHVSA-N 461.953 5.310 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2OC(F)F)n[nH]1 1823264403 PRGMRABZZDZDMX-QFBILLFUSA-N 458.509 5.085 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC3Cc4ccccc4C3)n[nH]2)c1Cl 1823556000 ALGBXLBDIGQVTF-QHCPKHFHSA-N 487.991 5.046 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1823647158 QSNSRMXYXJHYQJ-FQEVSTJZSA-N 486.037 5.219 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 1823682948 NPRWRBHWGKVHGR-VWLOTQADSA-N 464.009 5.078 30 20 JKED CC1=CC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)sc3C2)CC1 1823746336 INVOTSWJIWCUQE-QAPCUYQASA-N 488.535 5.006 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1824501154 SAOGEGAKTOKOKA-VWLOTQADSA-N 487.084 5.364 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)CCCCC)CC1 1824761396 UIPGZFQLYXNCGT-YFNKSVMNSA-N 491.717 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)CC1 1825687270 OASXGIVRWCODTE-FQEVSTJZSA-N 465.560 5.326 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2)CC1)c1cccs1 1827683593 FPPNVTWWUKHOTM-GLCJEOIMSA-N 471.022 5.074 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828508458 IAOWYXMJSKLMQH-HXOBKFHXSA-N 491.554 5.011 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1828824623 NERBRQYTADHRRK-KNQAVFIVSA-N 486.081 5.951 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)COC3)CC1 1828906547 SJRDWJVTVGZZDU-AREMUKBSSA-N 480.725 5.001 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1828907120 UUNBDWXNVPLYJY-SANMLTNESA-N 477.725 5.037 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829580133 SXPLIJMAYYBRHU-RUZDIDTESA-N 487.669 5.876 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)CCC1 1829703704 KFRZAIACCSARFY-NRFANRHFSA-N 453.970 5.013 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2CSc2ccccc2)CC1 1829709069 RXKASVBKWIPHPQ-XMMPIXPASA-N 497.611 5.404 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830448888 DRXFSXHGTXATPZ-AHKZPQOWSA-N 479.571 5.422 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)CC1 1830516643 GRHHGCYRSAXIOI-HXUWFJFHSA-N 499.902 5.255 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3)CC2)c(Cl)c1 1830721882 ZHANTQNSOWYKKG-RUZDIDTESA-N 464.009 5.078 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832031856 XJMRLKCQSQUMHD-QHCPKHFHSA-N 462.556 5.441 30 20 JKED Cc1c(F)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832630031 XODWUYURCCYDKY-BCHFMIIMSA-N 461.581 5.308 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4sccc4s3)CC2)CC1 1833076547 TVGFQLHQYFHLSX-UHFFFAOYSA-N 473.708 5.140 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10172699 WJHWQIXLZCKADE-UHFFFAOYSA-O 481.641 6.241 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173118 GGMLMHWAPLTIKG-UHFFFAOYSA-O 482.585 5.832 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174151 HWDHLKMPIQBDEI-UHFFFAOYSA-O 496.481 5.268 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2cccc(C)c2)c1C 11084234 STBPMBWFKAXHKF-UHFFFAOYSA-O 464.611 5.017 30 20 JKED CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 15564969 JHDZIAMWDGFFSH-UHFFFAOYSA-N 478.332 5.082 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc(OC)c1OC 16407735 NWALRZNPOLTXJE-VMPITWQZSA-N 488.290 5.539 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 22160226 WDUQXJZWRNLLFS-UHFFFAOYSA-N 492.029 5.934 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)cc2)cc1 22730901 AGDOTCIHQVDGMP-UHFFFAOYSA-O 453.578 6.515 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731136 JRBMVEUTVLQVQX-UHFFFAOYSA-O 453.587 5.624 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccc(OC)cc1 23998167 ZKXTWOOAJSSZOX-MOPGFXCFSA-N 472.614 5.651 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)c2)c1 32290520 RNRYFOWAXIMHQB-UHFFFAOYSA-N 496.876 6.247 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 116895056 KKTLVKRMYZRUOR-UHFFFAOYSA-N 473.341 5.290 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c2ccccc21 255930903 QKXJOTDNHIHWDK-UHFFFAOYSA-N 478.581 5.232 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1(c2ccccc2C)CCOCC1 409540101 YCZDBQXLSOLJFI-UHFFFAOYSA-N 475.402 5.343 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 409840073 QRCFEAJEXRKTSL-INIZCTEOSA-N 496.679 5.688 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1 410288819 LLFKGRSNMLTVGX-HXUWFJFHSA-N 499.007 5.490 30 20 JKED COc1ccc(CSc2nnc(S[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)s2)cc1 480457417 ACCZSEQDOFDKPU-BXFSZVDSSA-N 476.693 5.250 30 20 JKED Cc1ccc(CNC(=O)c2cccc(CNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)cc1 481200598 RWWPFDGWFYXIKI-UHFFFAOYSA-N 468.601 5.165 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N[C@H](C#N)c2ccc(F)cc2)s1 486541920 UTXXTSBLLKACJX-OAQYLSRUSA-N 472.545 5.625 30 20 JKED C=CCN(C(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1)c1nc2c(s1)CCCC2 499316729 PGXLCPHSJHXVAD-UHFFFAOYSA-N 462.406 5.305 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)N1CCCCC1)c1ccccc1 501124269 IDMIGOUAUMWWIB-HSZRJFAPSA-N 466.582 5.028 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cs1 502835959 KNMVOQLUMRTRQW-UHFFFAOYSA-N 469.353 5.369 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 503185354 QYSFVAGALQHNIU-OAQYLSRUSA-N 469.427 5.015 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1cc(C#N)ccc1OC(C)C)CC2 507787925 IQFMQHXRXOUZNC-MHZLTWQESA-N 471.557 5.542 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)cc1 508145492 HBVRZFSCEMZZPW-UHFFFAOYSA-N 480.568 5.288 30 20 JKED C=CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 508777319 IAFCBZXSEXAEHN-UHFFFAOYSA-N 464.330 5.867 30 20 JKED Cc1ccc([C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)N2CCOCC2)o1 510009981 MOVZPJKRGFQKBT-UPVQGACJSA-N 478.980 5.092 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 510245694 VSDPBNXQDMOXNV-LJQANCHMSA-N 473.598 5.260 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCOc4c(Cl)cccc43)s2)cc1 510600808 MGZXDZPKWCRWJU-MRXNPFEDSA-N 457.968 5.001 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(Br)cc1 510906400 MGOTXSKVKSDLQC-UHFFFAOYSA-N 450.336 6.085 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 511363962 OBQVVVCBIAEUDJ-RUZDIDTESA-N 485.975 5.630 30 20 JKED CCOc1cc(Br)c(NC(=O)c2ccccc2-c2ccccc2C#N)cc1OCC 511606604 WVAHERGGAYZSBT-UHFFFAOYSA-N 465.347 6.037 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(Oc3ccc(F)cc3)nc2)cc1OC 512803870 CPOIYPRQXFJYMY-UHFFFAOYSA-N 473.342 5.639 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(C(F)(F)F)cn1 513213156 DKPXKTNCTLQDHN-GOSISDBHSA-N 488.263 5.605 30 20 JKED CCOc1ccc(Oc2ccc(NC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)cc1 515229611 PECJMWBZDWOTKA-UHFFFAOYSA-N 499.527 5.351 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCC(=O)c3ccc4ccccc4c3)s2)cc1 515936797 ZIUAFVOUZKCING-UHFFFAOYSA-N 458.568 5.457 30 20 JKED Cc1nc(O)cc(-c2ccc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2)n1 520468803 SJXLXBYVGSUOQO-UHFFFAOYSA-N 471.904 6.119 30 20 JKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 520832439 KAANKNKDVWAXCP-OLZOCXBDSA-N 452.458 5.304 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 521748434 BELLVGIASGBQQO-CYBMUJFWSA-N 467.473 5.099 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 555335656 TTWXTSVLCUZMLT-IBGZPJMESA-N 484.968 6.301 30 20 JKED CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCSc2ccc(Br)cc21 557581384 HGMFFOAHBGLBLM-DNVCBOLYSA-N 490.492 6.792 30 20 JKED N#CCCN(CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1)Cc1ccco1 577383189 DMJDCVHFXVBLFR-UHFFFAOYSA-N 474.561 5.491 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590614000 NEHIJUMTKDPZHY-UHFFFAOYSA-N 496.495 5.803 30 20 JKED O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 591474171 DVQQYVCLGHKMBR-HNNXBMFYSA-N 478.368 5.291 30 20 JKED N#Cc1cccc(OCc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H]3CN(Cc5ccccc5)C[C@@H]43)c2)c1 594660149 JGKXMYQLOCBDNA-SFGWMHHMSA-N 477.608 5.120 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 603975832 UMFNODCALRLARZ-UHFFFAOYSA-N 474.464 5.330 30 20 JKED Cc1ccc(SCCNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604134062 QFYBJEJLLMNMMT-QFIPXVFZSA-N 463.990 5.151 30 20 JKED CCCOc1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 604138183 SWDXSKDVTKKNPY-QFIPXVFZSA-N 491.975 5.048 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 608874513 DNMMVCXXPNLYNK-UHFFFAOYSA-N 464.403 5.458 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)c2)c1 609163374 JPLXURZOHXTIRQ-UHFFFAOYSA-N 463.493 5.281 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3cc(Br)ccc3Br)CC2)c1 609205728 VUJBTARMKDEBEY-UHFFFAOYSA-N 479.172 5.159 30 20 JKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)c2ccc(C#N)cc2F)c1OC 609217439 FRTMXVRTIQRHLL-KNTRCKAVSA-N 493.538 6.026 30 20 JKED N#Cc1ccccc1-c1ccc(CSCc2nnnn2-c2ccccc2Br)cc1 609238055 JWWBVANNKACNCO-UHFFFAOYSA-N 462.376 5.397 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)O[C@H](C)C2 609356089 VXZGYNCPPMCDRR-XORNHQRDSA-N 470.529 5.145 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)C2)c1 609381663 GELJHFOEZFNFSW-SFHVURJKSA-N 489.563 5.819 30 20 JKED Cc1ccc(-n2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)nn2)cc1 613344954 YYMGKXYFPWQPSZ-MRXNPFEDSA-N 454.342 5.496 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 613402689 FQXNQOOVWSFMHI-OAHLLOKOSA-N 474.394 6.437 30 20 JKED O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618543575 WLKIUWJONJAQDW-CHWSQXEVSA-N 498.420 5.253 30 20 JKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCO[C@H](c2ccccc2Br)C1 725790200 OATZIGCMTAUPDX-IBGZPJMESA-N 460.278 5.048 30 20 JKED O=C(C[C@H]1S/C(=N\CCc2ccccn2)N(CC2CCC2)C1=O)Nc1cccc(Cl)c1Cl 726108175 KBRQAFOKHUGGJX-DASRABTFSA-N 491.444 5.060 30 20 JKED C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1c(Cl)cccc1Cl 726315977 RAUNVYGUJJBKLD-JXFKEZNVSA-N 466.368 5.507 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 726399250 MZKXUZADCBUGAU-XOBRGWDASA-N 477.989 5.173 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726406004 HRXCOVNXFVOHKB-OAQYLSRUSA-N 469.010 5.589 30 20 JKED Cc1cc(C(=O)Nc2ncccc2OCCCC#N)c(C)n1-c1ccccc1Br 726958329 WZCZDOLRSPJMIE-UHFFFAOYSA-N 453.340 5.187 30 20 JKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2cc(Cl)ccc2OCc2cccnc2)cc1 727058177 JTVDKSNVJRQMIJ-UHFFFAOYSA-N 492.988 5.561 30 20 JKED COc1ccc(N2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)cc1 728121567 JSRZSDDDTKMIPQ-UHFFFAOYSA-N 490.991 5.543 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1sc(N2CCCC2)nc1Cl 728163941 GXICFTNXQHFSSF-UHFFFAOYSA-N 454.958 5.563 30 20 JKED N#CC(CCOC(=O)C[C@@H](c1ccccc1)N1CCOC1=O)(c1ccccc1)c1ccccc1 728380487 OFOBJVMEOGVQLG-VWLOTQADSA-N 454.526 5.013 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1 728475249 KQOACHZULICRKH-UHFFFAOYSA-N 460.584 5.241 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)cc1C 728776033 HBIDGQDMYFDBJH-OAQYLSRUSA-N 452.555 5.097 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1Cl 728777889 MPIVOZLNPGOYPR-MPLGVTFNSA-N 489.066 5.794 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1scnc1C 729146758 XPGQFDOWUYHZRF-OAQYLSRUSA-N 494.642 5.237 30 20 JKED C=CCc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc(OC)c1OC 729410835 YBEJRXSNYFLXLP-UHFFFAOYSA-N 452.551 5.372 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 729633378 DJLXEMVUQXJCBD-NRFANRHFSA-N 464.978 5.204 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1sc2cc(Br)ccc2c1Cl 729888979 ACZOVJSGABYOMA-CQSZACIVSA-N 471.763 6.312 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)cc1C 730711107 YSHQFTIIVJTQCZ-HXUWFJFHSA-N 468.966 5.105 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 730942288 LMXJPFFQSFCLJV-DFBJGRDBSA-N 480.593 5.956 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730942451 PRECPKPZHJJESK-NBGIEHNGSA-N 486.641 5.604 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C2SCCCS2)cc1 730995074 OUJMKVWBSYAOHU-UHFFFAOYSA-N 498.617 6.597 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cnc2ccccc2c1C(F)(F)F 731067392 RULFWDNKGPJXNJ-CQSZACIVSA-N 473.476 5.301 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 731068877 DBVJFTALTVQOPE-OFAQMXQXSA-N 465.962 5.335 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1CCN(c2nc3ccccc3s2)CC1 731079581 DYLTZXQLJYTITE-QGZVFWFLSA-N 494.642 5.089 30 20 JKED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 731278372 OQAAHPUBOGNRQP-QSPIDWHTSA-N 482.650 5.112 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 731377610 SYRXTRDRHDJJBM-IBGZPJMESA-N 497.576 6.198 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Br)c(F)c1 743449720 SZGCHYJEIPYOJA-INIZCTEOSA-N 453.267 5.342 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(CC)Cc2ccc(C(F)(F)F)cc2)c1=S 746042753 CRTGRFKNCQSLNR-UHFFFAOYSA-N 462.541 5.774 30 20 JKED CC(C)c1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN2CCC(C#N)CC2)c1=S 747078728 NIDWBYXGVRWYED-UHFFFAOYSA-N 452.027 6.040 30 20 JKED COc1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc(Cl)c1OCCC(C)C 747337786 UDZUPIFCZZNVIE-UHFFFAOYSA-N 455.986 5.044 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CCc3nccs3)C2=O)cc1 747601438 HAQGCTPCZOCNRW-FQEVSTJZSA-N 478.643 5.271 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cscn3)C2=O)c1 747602848 OXLLLFDKPQRLGK-QFIPXVFZSA-N 478.643 5.537 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccccc2Cl)s1 748004239 UUHXCSFZXBUEMM-CYBMUJFWSA-N 460.342 5.395 30 20 JKED C=CCN(C(=O)COC(=O)c1cccc(C#N)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 748577359 UKTBLDSDWXBPOR-UHFFFAOYSA-N 472.353 5.365 30 20 JKED Cc1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(C)n1[C@H](C)c1ccccc1 748782660 BGFGYKSRCRWTAD-OAQYLSRUSA-N 463.585 5.097 30 20 JKED CCCCCCCCc1nnc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 749327823 LNKDAQLMUBAOPL-UHFFFAOYSA-N 468.627 5.195 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 791768231 CKTGIXVKQKGBCK-BCFPUTGHSA-N 473.598 5.383 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1OC 792633042 LJLVDAWAMQLJQI-UHFFFAOYSA-N 466.559 5.375 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(CC)c1 799223992 WMCLKAMUSUPOCU-SFHVURJKSA-N 460.386 5.149 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1C 837299771 MLRSFPREGFJDSA-AUSIDOKSSA-N 458.587 5.420 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1cccnc1 837301598 MBGLNDYVGBHQES-OPAMFIHVSA-N 480.540 5.390 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 837885340 ZQAFYBRCPSNWBB-QVKFZJNVSA-N 482.968 5.596 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ccco1 838526928 FMJRUNCWDBIGRO-JOCHJYFZSA-N 463.559 5.066 30 20 JKED CC(C)N1CC[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 849498329 JSCWFIRREQDZPN-ISJGIBHGSA-N 476.024 5.182 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3cccc(Br)c3)no2)CC1 904297335 WATYLMSSOLZBIP-UHFFFAOYSA-N 466.295 5.003 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914544681 ZOFRXAJYKPGFDZ-IFMALSPDSA-N 471.985 5.231 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)Cc2ccco2)C1=O 914694830 WHLXLIFDNMDQAP-AOMKIAJQSA-N 481.549 5.019 30 20 JKED CS(=O)(=O)c1ccc(NN=Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)cc1 914835531 IWBDWCKALBJFDZ-UHFFFAOYSA-N 464.978 5.101 30 20 JKED C[C@H](OC(=O)c1ccc(Oc2cccc(Br)c2)nc1)C(=O)N(CCC#N)c1ccccc1 915532470 RHCJMKILYGFNKA-KRWDZBQOSA-N 494.345 5.129 30 20 JKED Cc1sc(=O)n(CC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1-c1ccc(F)cc1 915619493 MAGLOCSJWXMJAT-NHAGDIPZSA-N 484.437 5.050 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2ccc(OC(F)F)c(OC)c2)c1=S 915820675 APJIHVFSDOZPTA-UHFFFAOYSA-N 464.513 5.106 30 20 JKED CCCOc1c(Br)cc(Br)cc1/C=C1/S/C(=N/C2CCCC2)NC1=O 916154570 LYLSSIUJOLVDQO-OQLLNIDSSA-N 488.245 5.503 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCc3ccccn3)C2=O)cc1 916212063 RPOQDBYIBNRJEW-XMMPIXPASA-N 488.613 5.073 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F 916212734 XELXWPJZHJPVSG-LJQANCHMSA-N 461.509 5.608 30 20 JKED COc1ccc(Br)cc1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl 916333577 PNFYBOFNGRXVDJ-UHFFFAOYSA-N 458.168 5.194 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(N)nc(Nc2ccccc2)n1 916880859 QLXMBHQLIIEHOQ-FYCOFBDGSA-N 492.383 5.125 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 916901029 WSIZXQJMNZZMRG-JOCHJYFZSA-N 488.588 5.680 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 916905076 LXRRRHWUBCFRAX-SSVKHQHASA-N 493.563 5.078 30 20 JKED Cc1nn(CC(C)C)c(C)c1CCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907108 HYFRSASUJCCRPP-HSZRJFAPSA-N 458.562 5.228 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916927879 DIWIZJDEHGDRPF-IBGZPJMESA-N 473.743 6.187 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 916938481 LKSIFWNBEFRPKE-KRWDZBQOSA-N 450.901 5.030 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)cc1Cl 916940820 ZMTOCHRVDWOOBD-INIZCTEOSA-N 479.360 5.397 30 20 JKED C=CCN1C(=O)N[C@@H](c2cccc3c2OCCCO3)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 917375941 HMSLVZDDSYCQJX-NRFANRHFSA-N 487.478 5.032 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN[C@@H](c2ccccc2)C(C)(C)C)c1=S 917433078 VTQBWWBDEAZXAE-YADHBBJMSA-N 450.608 5.447 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(CN2CCCCC2)n(Cc2ccccc2)c1=S 917457537 JOZHMTZIFDYSMK-UHFFFAOYSA-N 474.678 5.190 30 20 JKED CC(C)c1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)cc1 917612051 DDADHHCQPQBQNI-UHFFFAOYSA-O 456.635 6.590 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)Cc2ccccc2-3)cc1 917612075 FNYFSLJVMXFBMJ-UHFFFAOYSA-O 474.609 6.303 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(Cl)cc2)cc1 917678741 GJNUAEYGCYCGSD-QFIPXVFZSA-N 492.963 5.511 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccsc2)cc1 917684854 OOBDMRYYOZYGSA-JOCHJYFZSA-N 493.610 5.120 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc1 918492974 YDAMPNZZHKGMBW-MRXNPFEDSA-N 486.380 5.385 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2nnn(-c3ccc(C)cc3)c2C)cs1 920068051 ORKCYCKWZQBNOX-JYRVWZFOSA-N 461.522 5.060 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(SC(F)F)cc1 920109029 ZYMMYGGPCLHDMT-ZDUSSCGKSA-N 483.974 5.730 30 20 JKED N#C[C@H](C(=O)Cn1cc(C(N)=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 920109463 FSOJYIXXNBDZPY-OAHLLOKOSA-N 469.353 5.047 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 920111592 OAOGDQCHBWINMP-QRWLVFNGSA-N 454.452 5.366 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc(C)on2)C1=O 920356312 SBPLSXPFXSEBPQ-JOCHJYFZSA-N 496.564 5.071 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 920870359 SMYVFCZDAUHNLJ-VLIAUNLRSA-N 477.989 5.030 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 920986515 HNQDBTUFUSLVIS-HSZRJFAPSA-N 489.597 5.143 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OCc1ccccc1 1341869947 WSPMXLPGPSAIII-LJQANCHMSA-N 485.565 5.353 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC[C@@H](C)N(C(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785803251 GGRVAQGTFLLDPU-WOJBJXKFSA-N 481.637 5.122 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCCc3ccccc3F)cc2)CCC1 1786119116 WUKZYCKLLJLCAI-UHFFFAOYSA-N 452.570 5.265 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5ncccc5c4)cc3)CCC2)cc1 1786557072 SUPFJSPDNHEWRY-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(C)s4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1787282923 ZWONCNUCNJWPIP-NRFANRHFSA-N 495.645 5.370 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ncc(Br)cc3C)cc2)CCC1 1787567223 WFMNKQTUTAYFLM-UHFFFAOYSA-N 468.395 5.094 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4scnc4C(F)(F)F)cc3)CCC2)c1 1787576699 GQBCAHCUWJVPKE-UHFFFAOYSA-N 488.466 5.234 30 20 JKED CC(C)(C)c1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1 1788336684 DFYTXMAHMWBHPW-UHFFFAOYSA-N 492.583 5.189 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(F)c4s3)cc2)CCC1 1788983044 KKLBMEWOWNTPMV-INIZCTEOSA-N 467.566 5.589 30 20 JKED O=C(/C=C/c1cc2ccccc2o1)Nc1ccc(C2(NC(=O)/C=N/O[C@@H]3CCCCO3)CCC2)cc1 1789116347 OAYGDSHAXHSYBX-CHSRBZLBSA-N 487.556 5.109 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CC[C@H]4CCCN4C(=O)OC(C)(C)C)cc3)CCC2)C1 1789200057 IXUMIJXVKXERDG-HSZRJFAPSA-N 481.637 5.266 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@@H](C)CN3C(=O)OCc3ccccc3)cc2)CCC1 1789215901 HKXBMXXHWDLKQR-PXDATVDWSA-N 489.616 5.134 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)ccc5[nH]4)cc3)CCC2)c1 1789233462 PRJVXDLFNYFSEY-UHFFFAOYSA-N 482.515 5.249 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c2cc(O)ccc2n1 1789241831 KUWPYHNKVQMWTF-UHFFFAOYSA-N 476.536 5.182 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CCC2)cc1 1789576780 DIJWFQDGOZXZJO-AMVVHIIESA-N 487.453 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CNc4ccccc4O3)CCC2)cc1 1789626145 AJNYVELDYYAASF-QFIPXVFZSA-N 461.606 5.376 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790002590 LIYHAFJFICNRHD-STBIYBPSSA-N 496.592 5.614 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc(F)c4F)CCC3)cc2)c1 1790076388 KILSGNKFRGZXII-UHFFFAOYSA-N 479.458 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5cn4)CCC3)cc2)c1 1790796422 NTTUFVKJRLPDNG-UHFFFAOYSA-N 450.498 5.069 30 20 JKED CCc1[nH]nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1Cl 1792123978 WPAUXQSDCDLNAS-INIZCTEOSA-N 475.980 5.314 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)nc5n[nH]cc45)CCC3)cc2)c1 1792123988 XFDRRHUTMOWRSQ-INIZCTEOSA-N 498.974 5.300 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)ccc1[N+](=O)[O-] 1792165960 UEGQUTFIUXFPPX-SFHVURJKSA-N 498.539 5.292 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2cccc(Cl)c21 1801428781 ZJGMVRSTECFEQD-LRSLUSHPSA-N 471.117 5.059 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1802941515 COPDNJUWNFAQTK-UHSQPCAPSA-N 482.628 5.037 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1803088838 HQEBOUXNFXZWOP-XTEPFMGCSA-N 459.634 5.105 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1 1803685487 WTLVGCDMOCGYDR-GEALJGNFSA-N 470.400 5.495 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(F)c(Br)cc4Cl)CC3)C2)C1 1804787297 WVTTWDOUXUXMNH-UHFFFAOYSA-N 483.809 5.053 30 20 JKED CCCCCc1ncc(C(=O)N2CCC3(CCCN(C(=O)CCc4cccc(C#N)c4)C3)CC2)s1 1805328903 VIEUCHTYZPQKKJ-UHFFFAOYSA-N 492.689 5.225 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1805369921 FDWUERWYGNRTLQ-ZEQKJWHPSA-N 486.616 5.357 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)c1 1807474819 AOEZPJFMDIMHAX-MFMCTBQISA-N 494.639 5.248 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1809207668 ZLGKUODGBICCFC-LGVFNWMJSA-N 477.605 5.523 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)[C@H]1c1cccnc1 1810503907 SNIIUUOLXWERFX-RDPSFJRHSA-N 494.039 5.003 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cccnc3SCc3ccccc3)[C@@H]2c2cccnc2)C1 1811162765 LOORUSSLYGHIHM-BVAGGSTKSA-N 498.652 5.055 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)c(F)cc3nc2Cl)[C@@H]1c1cccnc1 1811353024 FHFYPTTXXQUMCM-YGJVYZRNSA-N 498.961 5.093 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302908 KLHHOAPDCCUZMW-KCPMXOJXSA-N 498.583 5.102 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)Cc3ccccc3Cc3ccc(F)cc3)[C@@H]2c2cccnc2)C1 1812929066 TVJNSNRHTMCDRK-VIZCGCQYSA-N 497.614 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)[C@H](C)Cc3ccc(F)cc3)[C@H]2c2cccnc2)c1 1813869420 GLKJDBPUQLQPJI-BJYFBGGTSA-N 498.602 5.046 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cn1 1814352102 UPZGNVHHUKQALB-FQEVSTJZSA-N 490.995 5.247 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)[nH]n1 1814570081 SPUUGEOLXSBRKQ-FQEVSTJZSA-N 494.393 5.181 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC(F)(F)F)n[nH]2)c1 1815573536 WOIINHMCEPQNJQ-HNAYVOBHSA-N 461.488 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817211859 FDUICFFAKDSUJJ-GRLIWSMHSA-N 489.664 5.772 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cc(Cl)ccn23)n[nH]1 1817780124 UTHKBUNDHNTIPI-SFHVURJKSA-N 468.989 5.009 30 20 JKED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 1818284774 AHGKCQNUCMGGLI-AWEZNQCLSA-N 490.050 5.220 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)cc2c1 1818562979 XSPHKMIFXNKZJD-VWLOTQADSA-N 480.572 5.010 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)n[nH]1 1821007066 KVOPOMZLHMBREK-QFIPXVFZSA-N 477.609 5.057 30 20 JKED Cc1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)cs1 1821151489 OFVWKJFLRIDDJN-RUZDIDTESA-N 495.608 5.194 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCC(F)(F)C3)[nH]n2)cc(C(F)(F)F)c1 1821308688 ZVJHOEUPTSUXTM-KSSFIOAISA-N 495.452 5.041 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)[nH]n1 1821919249 SULPWASXPUAFCS-OYHNWAKOSA-N 481.000 5.280 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1821990961 ZSYYBDIYDXWIDI-INIZCTEOSA-N 474.405 5.085 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)n[nH]2)C1 1822342537 SARHNHNHHKPOPF-FQEVSTJZSA-N 472.511 5.119 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[nH]n2)CCC1 1823379817 NZLCORJFZOTUBL-NRFANRHFSA-N 482.544 5.151 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnc3[nH]ccc3c2)CC1 1823753358 KMNNVTBMPRALKL-DEOSSOPVSA-N 464.654 5.108 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3OC(F)(F)F)CC2)cc1 1823913875 BEMCRAGHUAZEJO-HSZRJFAPSA-N 499.533 5.198 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)cc3F)CC2)cc1 1823930838 RMJWKJDLTLKIIF-QHCPKHFHSA-N 498.396 5.007 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1824143331 LNUNRVLAGFCFFG-XMMPIXPASA-N 481.587 5.515 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1824500719 GSZURXKVMIEHDU-GDLZYMKVSA-N 490.688 5.683 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(Cl)ccc2F)CC1 1825363048 XHAYATKMKPCPHE-NRFANRHFSA-N 492.111 5.159 30 20 JKED CCn1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c2ccccc21 1827342836 CHHMAHQHKWBRBF-HFZDXXHNSA-N 497.643 5.230 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn3c(Cl)cccc3n2)CC1 1828083954 XWUMECGSENBYQK-OAQYLSRUSA-N 471.045 5.213 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1828519202 YFKMKBOFKQZQSB-XHCCPWGMSA-N 486.591 5.481 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2Cl)CC1 1828822121 XDVGKEJCLKNOJK-UPVQGACJSA-N 461.021 5.410 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1829066154 QWWUKTVSYRGSAE-NRFANRHFSA-N 477.093 5.517 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)c1 1829956653 PAJPNLLYZSVBKJ-MHZLTWQESA-N 486.591 5.045 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)c1 1829958813 LMCJMQZIMKSNGV-NDEPHWFRSA-N 484.644 5.096 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1C 1830675436 KGYBLEIWRFLBMS-MHZLTWQESA-N 487.644 5.050 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177921 KFZZQFNITTVMAH-RUZDIDTESA-N 495.570 5.006 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1831443857 BQSUZEGOBCAEPB-RUZDIDTESA-N 481.587 5.502 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831728107 RNULRDDJKTWHTF-DFBJGRDBSA-N 453.602 5.072 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)CC1 1831860176 MWKGPCQPGSVYAL-SANMLTNESA-N 495.614 5.411 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1832030026 APLGZFPABKOQFZ-JOCHJYFZSA-N 454.611 5.467 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1832030837 YUEFMXCCIATCPV-MXTHXHGZSA-N 452.664 5.414 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(=O)c3ccc(Cl)cc3)CC2)c1 1832629508 SHMOKFKKSKVCRX-CLOONOSVSA-N 492.019 5.083 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 1832630705 LOMSQMCMPRIMJT-GCBXLJFKSA-N 455.602 5.260 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)c1 1832631715 HDZWMZPPGACMGS-RXFWQSSRSA-N 468.601 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1835683537 JOAPGJYOVNDLGV-RUZDIDTESA-N 459.719 5.323 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CC2(CCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)C1 1846985951 SJURGZJTPOVQPC-HDJSIYSDSA-N 480.424 5.030 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)c1 10172409 HHGIJFJPVGMMFC-UHFFFAOYSA-O 469.586 6.140 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 10172744 SNIRHDZFAYKUDH-UHFFFAOYSA-O 489.567 6.217 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)s1 10179109 GYBXEIUJAUOAEY-UHFFFAOYSA-O 458.799 5.752 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(CO)c2)c(C)s1 10179401 WVWKLOMYVIUEMA-UHFFFAOYSA-O 466.435 5.502 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179620 MTYCEBZNZVHYCW-UHFFFAOYSA-O 460.000 5.074 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)c1 11261588 RMLSCFGAVYREQC-UHFFFAOYSA-O 457.619 5.401 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCc3csc(COc4ccc(Cl)cc4)n3)nnc12 11328940 MEEVVIMBQFEAQT-UHFFFAOYSA-N 496.017 5.211 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)nnc1-c1ccc(C(C)(C)C)cc1 11452779 PCYNOKSSMYVGAL-UHFFFAOYSA-N 489.645 5.052 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccc(N(C)C)cc2)c1 14872259 FXZQBRCODRDLQF-UHFFFAOYSA-O 460.667 5.951 30 20 JKED N#CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 15029460 WPIYDIPPIXKBET-UHFFFAOYSA-N 460.342 5.113 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 16602004 DJYPVBTWGXVDQE-CYBMUJFWSA-N 487.375 5.933 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1c[nH]c2ccccc12 22117278 SOJBRJZBAGOPNG-QYBDOPJKSA-N 472.618 5.259 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 22143327 JSPZLAISNNTRTL-UHFFFAOYSA-N 465.581 5.436 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(CO)c2)cc1 22733094 IWCUTJUHNGQLQZ-UHFFFAOYSA-O 476.405 5.223 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 26582664 FRDMETMDGXDPDN-LJQANCHMSA-N 475.570 5.109 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2CN(C)C)c1 31232740 XXNZMMCJDKWRSD-UHFFFAOYSA-N 484.021 5.035 30 20 JKED C[C@@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C(=O)N(CCC#N)c1ccc(F)cc1 31755737 VIPRYUBSQNJWAM-CQSZACIVSA-N 496.564 5.357 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-n3cccn3)cc2)nnc1-c1ccc(Cl)cc1Cl 32238782 NONYPGSELRUKHV-UHFFFAOYSA-N 485.400 5.354 30 20 JKED C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 68760634 SIWVIELRTMDAEX-FQEVSTJZSA-N 495.608 5.278 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 97554335 AIUOTMYIECSKBX-UHFFFAOYSA-N 460.896 5.949 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCc3sccc3[C@H]2c2cccs2)CC1 106203536 RCWIVIVWBMWHTJ-QFIPXVFZSA-N 490.610 5.320 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)sc2n1 108732692 WTTUTPMMDQNKMK-UHFFFAOYSA-N 490.560 5.008 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)n1 115498349 JFWLZPLECVDTSW-UHFFFAOYSA-N 467.934 5.306 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 303303424 DCHTVRIKOUKOTE-FQEVSTJZSA-N 474.369 5.097 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cnn1-c1ccccc1 487289352 KWPQTIYQFUSXIK-UHFFFAOYSA-N 467.476 5.371 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC 497791111 JLKRMQNWJWCNJJ-UHFFFAOYSA-N 493.991 5.684 30 20 JKED C[C@@H](c1ccccc1)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 498096420 AICCIRVOSIBPMO-FQEVSTJZSA-N 466.541 5.817 30 20 JKED O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 501559354 QGJZDMNNGIOULS-KRWDZBQOSA-N 487.375 5.693 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(NC(=O)CC)ccc1Cl 502660434 KCWULXNTFFCSHT-UHFFFAOYSA-N 468.754 5.810 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1C(=O)N1CCCCC1 502663797 PPKYULVHAHPUNG-UHFFFAOYSA-N 474.374 5.434 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 509575179 MBYIVRBUDOFSPR-UHFFFAOYSA-N 487.940 5.191 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)nn(-c2ccc(F)cc2)c1N 509685507 QSUWWQJAMGIWIF-UHFFFAOYSA-N 495.518 5.028 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1Cl 510011485 UZHQBMXDKZOBSV-DEOSSOPVSA-N 472.976 5.422 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1F 510012720 ZIIWKLGJCNJEDH-URXFXBBRSA-N 473.939 5.779 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510222024 JDWIPOQIGZBJSM-UHFFFAOYSA-N 450.014 5.471 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2 511354130 VKTBTJWFRYVDRN-UHFFFAOYSA-N 485.584 5.719 30 20 JKED N#Cc1c(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)sc2c1CCCCC2 512364776 MAOBZJNXHKVPGG-UHFFFAOYSA-N 469.566 6.068 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)c2C#N)C1 514844600 ZLZOSBFPLCIJBY-ZDUSSCGKSA-N 458.008 5.615 30 20 JKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 515518137 SMMBPUKUJDXCFV-HNNXBMFYSA-N 450.882 5.138 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)C/C(=C\c2cccc(OC)c2)c2nc3ccccc3s2)cc1 515649666 UOYDMRHHLXEIDT-LTGZKZEYSA-N 483.593 5.790 30 20 JKED CCc1cc(C#N)c(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)s1 515711178 JWFGOJVXXYMCDI-UHFFFAOYSA-N 468.376 5.378 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)s1 517444507 SVWBFLMHNJGZLU-UHFFFAOYSA-N 462.579 5.109 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OCC(C)C 518253183 WLGQHESFAUWPKY-LJQANCHMSA-N 487.556 5.210 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(C#N)c(Cl)c1 518667232 YVKDXSJGOFQECH-GFCCVEGCSA-N 452.889 5.675 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(Cl)cc1 518674642 DDESAMUICGNIMD-INIZCTEOSA-N 469.916 5.571 30 20 JKED CN(C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)c1cccc(C#N)c1 518818154 BLJGBQCEQQXZTA-UHFFFAOYSA-N 453.449 5.163 30 20 JKED N#C[C@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 519250544 NRXYRKJBROFUSE-OAHLLOKOSA-N 457.864 6.521 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 520136080 PLPQAWMFMKJHTK-UHFFFAOYSA-N 487.343 5.332 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)cc1Cl 520432274 WNKSAXSIXAELST-SFHVURJKSA-N 495.391 5.513 30 20 JKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2Cl)n1 521427117 KGCDFWHGTLFHIX-IBGZPJMESA-N 493.011 5.667 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2OCC(F)(F)F)cc1 523613288 LHRMKDAOEBLJOT-UHFFFAOYSA-N 471.454 5.550 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 524422408 NQNQTKDQHUBLCU-UHFFFAOYSA-N 497.624 5.682 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 584736691 BYBCIIVNPGTPOW-UHFFFAOYSA-N 497.414 5.108 30 20 JKED N#C[C@H](C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)c1ccccn1 589830703 NKVUAYZAGYGSLI-INIZCTEOSA-N 464.369 5.284 30 20 JKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 593021641 MJRUFILXOOOAOE-QWRGUYRKSA-N 492.407 6.273 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 595993417 NCZQLYZATWVMFJ-KRWDZBQOSA-N 459.575 5.097 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)[C@H](C#N)c3nc4cc(F)ccc4s3)cn2c1 596533346 MCXYMFJDFNCJGD-IBGZPJMESA-N 456.502 5.461 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)cn2)c1 603623706 NFRKSXPKTONQIY-UHFFFAOYSA-N 451.511 5.303 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1 603708624 IUEACCKUSRZYDW-XMMPIXPASA-N 457.599 5.272 30 20 JKED N#CCc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)c1 603731020 WYVRBSZDOLXHPX-FQEVSTJZSA-N 482.403 5.464 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C 603740255 YWJDGGUYVUNQRB-UHFFFAOYSA-N 471.948 6.269 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c2ccccc2n1 603757601 CLPTYBMQYIYBIH-UHFFFAOYSA-N 452.461 5.733 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)NCCSCc3ccccc3C#N)c2)c1 604076589 WTYONELKARQYSJ-UHFFFAOYSA-N 473.602 5.243 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 604089573 FOKHCBWKRNZLGK-JOCHJYFZSA-N 477.948 6.390 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(OC(F)F)c1 604142317 IWWSDDZRTNLJCI-BTYIYWSLSA-N 483.902 5.413 30 20 JKED Cn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2scc(-c3ccccc3Cl)c2c1=O 604469595 RDUCLBVLMGXHPK-UHFFFAOYSA-N 481.002 5.112 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 604528819 CWIXJCIKLZWKHL-UHFFFAOYSA-N 450.926 5.076 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCc2c(Br)cccc21 609052907 PPCVFTVWFGWKGX-QHCPKHFHSA-N 490.357 5.164 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c1 609067292 UTAGROZOHOQYCF-UHFFFAOYSA-N 454.285 5.771 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1nnc2ccccn12)C(C)C 609079587 HBWYBABLKPDINS-DEOSSOPVSA-N 454.534 5.007 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 609371109 ZRYGJEMIUAJOCK-OAHLLOKOSA-N 488.038 5.173 30 20 JKED N#C[C@@H](NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(Cl)c1Cl 609414104 JRGMQAVENIJXEK-ZTYFUTMOSA-N 496.438 5.821 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)c2)cc1 609421038 DYDFBRYESWBVHO-MHZLTWQESA-N 453.542 5.024 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)ccc1OC(F)F 609434250 KMTNWXJISYFUCH-UHFFFAOYSA-N 479.483 6.157 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCN(Cc2c(F)cccc2Cl)CC1 612804895 DWIODDJOJOBIIB-STQMWFEESA-N 489.863 5.216 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)n2)cc1 612894903 ZNMOBVYPLBDRLP-QFIPXVFZSA-N 479.627 5.173 30 20 JKED C=CCn1c(SCc2ccc(OC)c(OC)c2Br)nnc1-c1ccc(F)cc1 614509108 WQWKFLVZRNJITN-UHFFFAOYSA-N 464.360 5.342 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccncc2)nnc1-c1ccc(Cl)cc1Cl 637296174 GTCJOFNFGRDWDG-LJQANCHMSA-N 474.417 5.289 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)C(C)C)nnc1-c1ccccc1OC 639430005 VYGHYLJJHUQJQV-FDDCHVKYSA-N 462.619 5.234 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642956118 NLUJUSKBHNTCAW-OMHSBUABSA-N 496.336 6.105 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cscn1)c1cccs1 726418786 BEFSBOCXCOLHES-MJGMNYRHSA-N 491.063 5.448 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 726571965 PUDQCIBGKNSNGC-UHFFFAOYSA-O 451.915 5.039 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC)c(Cl)c1 726891342 NPEHYOLMTDJHJL-LJQANCHMSA-N 494.400 5.157 30 20 JKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)C1CCCC1 727233373 OMSMEANDLRUNLG-LRDDRELGSA-N 450.391 5.378 30 20 JKED CCOC(=O)c1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 727979392 WZWDKPYFACIJDD-UHFFFAOYSA-N 465.962 5.776 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C#N 728425451 NFBXPHHJRQLTGH-UZUQRXQVSA-N 499.621 5.083 30 20 JKED C#Cc1cccc(N(C)C(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)c1 728482021 BWQFRKWDCOJIJJ-UHFFFAOYSA-N 466.509 5.277 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCCCC#N)C1=O 728779251 XKJRLVQDZNHVCI-NRFANRHFSA-N 485.009 5.311 30 20 JKED Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)sc2c1 729186608 JPGLQEGVJLHWRG-AWEZNQCLSA-N 450.919 6.139 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1 729892382 WUQQWXLTQMQZBS-RTWAWAEBSA-N 461.587 6.033 30 20 JKED CS(=O)(=O)c1ccc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730435473 ABUDKBZTDGDKFI-OWBHPGMISA-N 474.401 5.189 30 20 JKED N#CCCN(C(=O)COC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1cccc(Cl)c1 730607289 VGOAOMMTMSSWCV-UHFFFAOYSA-N 495.910 5.391 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c3c2CCC3)c(F)c1 730687537 OQJVHEYQOGFGJH-NRFANRHFSA-N 494.526 5.562 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 731060713 OEYWEGZMTLGJII-LJQANCHMSA-N 487.581 5.153 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 731068229 WQYDSWCDWIXDME-HNNXBMFYSA-N 464.568 5.497 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(c1ccccc1)c1ccccc1 731077897 LMQOXURSWIYMLU-HXUWFJFHSA-N 458.583 5.569 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCOc3ccc(Br)cc3)n2)cc1 731289262 RDASXEDRLFGTLW-FQEVSTJZSA-N 485.403 6.007 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 731400608 RCSSMZQQVGMKDP-SVFBPWRDSA-N 472.655 5.724 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cccs3)C2=O)cc1 743526997 XZKDHFVXVKVVSZ-JOCHJYFZSA-N 495.601 5.559 30 20 JKED Cc1ccc(C(C)C)c(Oc2ccc(C=Nn3cnnc3-n3nc(C)cc3C)cc2[N+](=O)[O-])c1 744747320 IJGFESGJTVQYJD-UHFFFAOYSA-N 459.510 5.095 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(CSC(F)F)o2)c1 744761283 CHCWTGVEWMSOAR-UHFFFAOYSA-N 452.552 5.509 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 745063876 PHKQBTQQVYYVPD-UHFFFAOYSA-N 483.369 5.759 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 746697154 ADZDCGGEUFOLLB-LJQANCHMSA-N 491.560 5.063 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)c1 747599203 HDUPEFGTEXXDCM-HXUWFJFHSA-N 486.569 5.199 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)s3)o2)nnc1-c1ccoc1C 748359043 ZTORVGPTBAXHNS-UHFFFAOYSA-N 464.370 5.199 30 20 JKED CCCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)cc1 797799621 LJSRWZMHBUUJIN-UHFFFAOYSA-O 450.971 5.481 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccc(F)cc1 799219197 PEONNFXMQBOZHP-KRWDZBQOSA-N 484.767 5.379 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cnn(-c3ccccc3)c2C)cs1)c1ccc(F)cc1F 818252222 GFTCQXZTUIOKIY-LUAWRHEFSA-N 464.497 5.496 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCc3cccs3)C2=O)c1 837300850 LJTZMVQHENEHMY-OAQYLSRUSA-N 483.590 5.099 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCc2cccs2)C1=O)Nc1ccccc1F 838545987 LWHCIHJNZIQKDO-FQEVSTJZSA-N 489.544 5.368 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)N[C@@H](C)c3cccc4ccccc34)nc(O)c2C#N)cc1 857991381 JGCVQBUADIYBGX-DLBZAZTESA-N 484.581 5.241 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)N[C@@H]1C[C@H]2CC[C@H]1C2 912844263 OHGUJTZETNNFQI-GREBRCKQSA-O 478.682 5.322 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)Cc1ccco1 914690238 OBLQHYPZQQZRDW-ZHRRBRCNSA-N 481.549 5.019 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)c1 914690908 IUDVUUOUHPWRIW-ZHRRBRCNSA-N 481.549 5.019 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 915086101 RHBPKARXIZFNLQ-QHCPKHFHSA-N 477.524 5.317 30 20 JKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)c1ccccc1 915102832 IOEGQCBLCMSCSZ-CXAGYDPISA-N 458.370 5.502 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)cc1 915103771 DWAYWOJVFPFHSW-QGZVFWFLSA-N 487.528 6.078 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1=S 915201983 KYLOBURLYHCMHI-QFIPXVFZSA-N 450.608 5.003 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c1C 916208291 YSIVUQWWVJVHNV-LJQANCHMSA-N 472.408 5.189 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C[C@@H]2CCCO2)cc1 916212654 OYIPHRGUNAWICF-XUZZJYLKSA-N 473.598 5.288 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 916891721 YOOIULAZLZBBDM-LJQANCHMSA-N 465.849 5.010 30 20 JKED Cc1sc2ncn(N=Cc3cnn(-c4ccc(Br)cc4)c3)c(=O)c2c1-c1ccccc1 917539184 WKHAEAYCJXAYHW-UHFFFAOYSA-N 490.386 5.264 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cs1 917559999 PGFNIKWGOYPBIN-MDWZMJQESA-N 465.962 5.504 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c1C 917669690 DCCJEDBTEGPOMZ-WMTXJRDZSA-N 494.636 5.030 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2C#N)o1 917700029 MULREWVJJCXXFB-YBGOQADZSA-N 498.608 5.113 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCOCC2)cc1 919904830 UQWADGNBULQJKX-SANMLTNESA-N 455.558 5.221 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 920106120 KXPIHKBQXCTAAD-GOSISDBHSA-N 469.501 5.130 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nccn3-c3cc(C)ccc3C)n2)cc1 920142813 MMDGFGVVSFZCKF-HXUWFJFHSA-N 474.611 5.590 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(Cc4ccccc4)c3Cl)n2)cc1 920144049 WUIUICAWVXSPJP-LJQANCHMSA-N 462.962 5.515 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc2c(c1)CCC2 920177363 ZEJWYMHIJNJHJQ-IBGZPJMESA-N 492.428 5.089 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 920353808 SGOYSVISBKTAQD-HXUWFJFHSA-N 486.956 5.244 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)c(F)c2)cc1 920355144 IDJHMMSUDYWWNC-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2)no1 920355424 MKCWNJZSLUCNDZ-FQEVSTJZSA-N 468.966 5.105 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3c(ccc(Cl)c3Cl)C2=O)cs1 921138599 SZLNCEUGRVSFNC-PTNGSMBKSA-N 473.381 6.492 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)n1 921249219 LMRRRJKTFZIVIX-VZEGMYIASA-N 485.590 5.581 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(-c3ccccc3Cl)o2)n(Cc2ccco2)c1C 921306993 TWGPWWXHBZBVIV-UHFFFAOYSA-N 477.904 5.327 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(F)c(Cl)c2)C1 1781118753 GVQICHDGQKCAPZ-NTKDMRAZSA-N 485.427 5.252 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CCC[C@@H]4CCCC[C@H]42)C3)c1 1782972311 DPXLFWNTSFOVJY-MMTXMGLBSA-N 491.676 5.048 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)cc1Br 1786288305 YEMDOMQEDIYJJX-UHFFFAOYSA-N 498.421 5.074 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1786366823 XEXJWCFHZYLFPI-UHFFFAOYSA-N 497.595 6.158 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)Cc4noc5ccccc45)cc3)CCC2)c1 1788169003 MXEXHPGECQPIIW-UHFFFAOYSA-N 478.552 5.009 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCN(C(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1789190282 WQCBQJCUVJMGSB-FQEVSTJZSA-N 481.637 5.124 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1)c1ccccc1 1789357786 HDDJTBCAFGUVHL-VWLOTQADSA-N 476.580 5.508 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5cnccc45)cc3)CCC2)cc1C#N 1789391095 WYKYNLZXILTYHP-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(OC)ccc4o3)CCC2)cc1 1789453901 IABOJWUCGKUGHU-HSZRJFAPSA-N 458.558 5.958 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CCC1 1791421264 IXVQOYDODCYIAY-LWSSLDFYSA-N 493.648 5.002 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(C)on3)CCC2)cc1)c1ccc(O)cc1 1791646311 KRQCPDZNISQLES-OWSFEGEDSA-N 483.568 5.033 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)n(C(F)F)n1 1792125181 SYKQUKLCVXOIDX-INIZCTEOSA-N 477.515 5.275 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc(C(F)(F)F)c4)CCC3)cc2)CCC1 1792233364 HMKOPGVXHGIUNN-UHFFFAOYSA-N 459.443 5.286 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1)c1cc2oc(-c3ccccc3)cc2[nH]1 1792944074 LHHIEKLPEMKGJY-NUNAXRQHSA-N 497.982 5.385 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1793575590 HPGAXDRPQINCQV-NUNAXRQHSA-N 473.617 5.049 30 20 JKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cccc(Br)c2)cc1 1800837402 YOZYRNQXTHYJQW-BKFWDETESA-N 479.418 5.171 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1802946901 QOSBZAHNZDLTSH-WWPJHQMMSA-N 482.628 5.037 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1803083991 LLRQQBABXDSKST-URXFXBBRSA-N 477.605 5.523 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1803602679 TWKKXZAROCBDGG-YGOYIFOWSA-N 498.048 5.269 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccccc4OC(F)(F)F)C3)CC2)c1 1805094016 JXGJDEAAVWVNDM-LJQANCHMSA-N 499.533 5.371 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Br)c4ccccc34)CC2)C1 1806027238 MHNWOKTXJPINTG-IBGZPJMESA-N 499.449 5.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1810171226 BXZRFLCJYHIYOM-PFATUAPWSA-N 485.550 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cc3cccnc3cc2F)[C@H]1c1cccnc1 1810505231 OGMDRWCEASEOLI-AMGIVPHBSA-N 488.607 5.010 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1Cl 1811419067 DYOZTWSGUKIPEL-AJTFRIOCSA-N 494.982 5.393 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c(Cl)c1 1811748863 DQHAEMMDTLOXGK-OZXSUGGESA-N 484.987 5.117 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812667894 FREHTLCVNCDGMH-VUOVCSPLSA-N 493.476 5.031 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 1813865745 ILCZUTWUZQHIRN-RMQVNJIYSA-N 478.552 5.088 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)[nH]n1 1814439790 CROPVOUNKYXHNP-HSZRJFAPSA-N 461.610 5.129 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1814571192 RLOPGVMOCZFSJE-LAUBAEHRSA-N 493.011 5.206 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815586752 VPQPHFJVPHFKQI-ILBGXUMGSA-N 491.680 5.306 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccs2)n[nH]1)c1ccc(O)cc1 1817496767 JMIPPPOVAVWEET-MIVRCIJTSA-N 488.613 5.080 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679412 TYFBXECURYHEJB-CXAGYDPISA-N 457.987 5.191 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818209309 KMWLEZDCJQJNHV-QGZVFWFLSA-N 450.461 5.096 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn3cc(Cl)ccc3n2)n[nH]1 1818521152 YFXLEZGOMUKWGM-LJQANCHMSA-N 468.989 5.009 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N(C)C)c3ccccc23)n[nH]1 1818609241 HJKAXBJNRMBCLV-KOSHJBKYSA-N 459.594 5.147 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)[nH]n1 1819307533 IOBXGELXWSYJHF-ZJSXRUAMSA-N 491.636 5.531 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)[nH]n1 1819307749 YNWYQWSNPWCGCC-XUZZJYLKSA-N 463.626 5.289 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc(F)c(F)c(F)c2)[nH]n1 1819309514 CSYZXNJSVVMYJJ-ANJADALCSA-N 472.511 5.301 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)[nH]n1)c1ccccc1 1819519729 YUPVBANIFLWKDS-DENIHFKCSA-N 497.521 5.260 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820221144 OHIMCURLGXUUBU-NRFANRHFSA-N 494.020 5.205 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccoc2Cl)n[nH]1 1820393152 WWNJPRUSEFBTNC-SFHVURJKSA-N 461.038 5.013 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1820971997 DINCWEZYHRYKAI-WMZHIEFXSA-N 489.576 5.309 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occc4c3O)[nH]n2)c(Cl)c1 1821277255 QJGJQDCAQXUGNU-FQEVSTJZSA-N 489.919 5.006 30 20 JKED COc1cc(C)c(C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1821343287 OHWZGULEAQOXJQ-JOCHJYFZSA-N 491.979 5.180 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1821924646 FZAYIEXFCFNOTP-SCLBCKFNSA-N 479.806 5.344 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[nH]n1 1821988205 PTKPWNTXFKVRQV-BEFAXECRSA-N 498.496 5.522 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1)C(F)(F)F 1821994400 SXVFWTISPHMGEU-KRWDZBQOSA-N 489.325 5.460 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2SCc2ccccc2)[nH]n1 1822392435 SRAWPPNNPKOUQW-QHCPKHFHSA-N 487.629 5.206 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4ncccc4c3)[nH]n2)c1 1823214491 FVBHAXILKLBILH-BVZFJXPGSA-N 478.556 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1823214713 IMSONLJNOLLBRN-AFMDSPMNSA-N 477.568 5.810 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823215692 ALRQOXVSVMMDHE-WAIKUNEKSA-N 491.979 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC3Cc4ccccc4C3)n[nH]2)c1 1823560789 YIWCBIBFWRRKMR-BCHFMIIMSA-N 481.600 5.148 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1 1823750483 AVCDVVZVVAFNLG-DEOSSOPVSA-N 479.665 5.017 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)C)nn2CC)CC1 1823754055 WZQDXURHLJTAAD-QHCPKHFHSA-N 456.675 5.252 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1824502314 GLDBJMMKDQFEJU-NRFANRHFSA-N 485.427 5.349 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1824822341 DLYIYDUJXSWPFV-VSOVPVGVSA-N 491.582 5.102 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824837448 PEKTXYLJYODDMD-YJAHHDQYSA-N 493.570 5.139 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)CC1 1825889238 OQQBOICUAJKOIH-NRFANRHFSA-N 465.560 5.326 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)[nH]c2c(Cl)cccc12 1827518169 UECUMLSPEBPROU-NFBKMPQASA-N 476.086 5.317 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)oc2ccccc12 1828129758 ZOOYOFYUHMWQDZ-FNZWTVRRSA-N 483.612 5.915 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828293861 YPQQJJRQNHYLOU-XMMPIXPASA-N 472.029 5.037 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1828821700 PYLHOVXXKRGVSX-XDPLJDKASA-N 452.561 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1828823787 BDBDKEYMWYMYEE-KNQAVFIVSA-N 469.029 5.170 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1828826364 CJYXQHYCTIELBA-ISKFKSNPSA-N 489.685 6.156 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1829069915 CEGBAFUEPAGTOZ-SXOMAYOGSA-N 479.709 5.263 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829570227 JWXHBHVHQUKDNJ-JOCHJYFZSA-N 472.589 5.007 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829597535 CVOJGGVSRHPMAY-XMMPIXPASA-N 473.642 5.543 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1829599779 UNMRUCREGIBINW-AREMUKBSSA-N 495.627 5.080 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl 1829693309 YSUYGBUXKUTKPE-DSNGMDLFSA-N 476.020 5.249 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1Cl 1830628770 WIQJJDBLAIQEFK-RUZDIDTESA-N 464.009 5.262 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c1 1830715496 AXQHTELMIYKFGX-NRFANRHFSA-N 465.550 5.052 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3c(C)cccc23)CC1 1831001925 HBJQWDSDZRRZPM-JOCHJYFZSA-N 450.627 5.097 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 1831374925 VUWFEGWSEKIJDJ-JXFKEZNVSA-N 465.407 5.034 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1831598600 GLYQMFFSMAYZAV-NDEPHWFRSA-N 471.645 5.352 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1831858778 KXANOFSMICQTMA-NDEPHWFRSA-N 467.613 5.711 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(NC(C)=O)c2)CC1)c1ccccc1 1832653969 UPLGYTQQVVCAKL-WDYNHAJCSA-N 499.655 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)CC1 1835489347 FSKNLISVYSTEMT-UCGXPXSYSA-N 471.730 5.157 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1841318997 UKCHTYSNUSNMIR-UHFFFAOYSA-N 464.606 5.225 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3cc(-c4ccccc4)ccc13)C2 1844252545 DUNUZRKOYJFPQI-UHFFFAOYSA-N 498.703 5.098 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)c1 1844757159 RNHOTWMDURVILX-FQEVSTJZSA-N 467.544 5.251 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc4c3oc3ccccc34)C2)c1 1845736981 FWVQELADNKMEPP-LJQANCHMSA-N 463.537 5.344 30 20 JKED C=CC(=O)Nc1ccc(CCC(=O)N(CC(=C)Br)Cc2ccc(Cl)cc2)cc1 2088603183 TXZCFOAFPMKGBD-UHFFFAOYSA-N 461.787 5.335 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 8633192 UUEMHPRTOQYDHX-AWEZNQCLSA-N 453.633 5.116 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2ccc(F)cc2)nc2scc(-c3cccs3)c2c1=O 9964613 GKENDAFOERXIPA-CQSZACIVSA-N 485.631 5.309 30 20 JKED COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)[nH]1 10125910 YOSHYRMQEMCWBS-UHFFFAOYSA-N 492.992 5.144 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1C 10831073 FTLHJRJCEBOQES-UHFFFAOYSA-O 497.040 5.289 30 20 JKED C[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 17758349 NNMCUGRBVZKEFO-IBGZPJMESA-N 473.627 5.347 30 20 JKED Cc1sc2nc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)n(C3CCCC3)c(=O)c2c1C 22138489 CZEUHHQKFIYAIY-INIZCTEOSA-N 458.653 5.013 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1nnc(-c2cccs2)o1 26462349 QBCVTKHZBVWTDX-OAHLLOKOSA-N 490.566 5.319 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)cc2)cc1 27066656 BRNUTKMQWSXJBS-UHFFFAOYSA-N 472.570 5.456 30 20 JKED CCOc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)s2)cc1 28934586 UPPCXYSPVGMMIH-HUUCEWRRSA-N 472.636 5.219 30 20 JKED C=CCc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc(OC)c1OC 36795215 DGBQBRNTXMNPRX-RUZDIDTESA-N 479.598 5.299 30 20 JKED C=CCn1c(SCc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)nc2sccc2c1=O 36821474 PEUHQOUSASMDBW-UHFFFAOYSA-N 492.651 5.518 30 20 JKED Cc1ccccc1-n1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccncc1 104565840 QTAYCZXLTGOUTP-UHFFFAOYSA-N 478.581 5.481 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1 108292198 OGXWAHLVFJYMPE-QGZVFWFLSA-N 460.361 5.167 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N[C@@H](C)c1ccccc1Cl 255930363 GHAYZZWPEFGZTC-HNNXBMFYSA-N 477.417 5.319 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 255946756 JWQVKUUJRSIMRV-UHFFFAOYSA-N 469.635 6.480 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nc2sc(C)c(C)c2c1=O 302844597 FSLKZPCCGZLTSZ-UHFFFAOYSA-N 465.600 5.179 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)Nc4ccccc4S[C@@H](C)CC#N)c3)cn2c1 303327772 IZRCKVBIBDXVDO-IBGZPJMESA-N 456.571 5.868 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCC(c3ccccc3)c3ccccc3)cc2F)c1 481132534 XCRZHUYZQXEGTC-UHFFFAOYSA-N 493.538 5.163 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cc2F)c1 481665482 ZYWBYAPFZRIESU-UHFFFAOYSA-N 491.950 6.057 30 20 JKED Cc1ccn(-c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc2)n1 487112550 VLKYLASYEGCKLB-UHFFFAOYSA-N 467.476 5.371 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 490629704 JJZWOSRPEHNYPD-LJAQVGFWSA-N 489.575 5.832 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 498496864 UADSHEOAMJFFMI-UHFFFAOYSA-N 467.476 5.158 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)CC2)c1 501735248 NPDVFXBIFBFXAI-UHFFFAOYSA-N 497.382 5.330 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 503312296 PJESKSQQZAAYHP-UHFFFAOYSA-N 469.294 5.464 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCSc1ccc(Br)cc1 506259911 UJKQDRULUPCSPL-UHFFFAOYSA-N 468.376 5.937 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1 511001752 RCMXPZLNHIWESP-QFIPXVFZSA-N 460.622 5.054 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 511303930 HPEAHEQOBAIJTN-UHFFFAOYSA-N 474.992 5.335 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1 511341744 OXQUTGLYMSHOJM-UHFFFAOYSA-N 477.511 5.685 30 20 JKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 513367872 SGJNOIMTUUSUHQ-UHFFFAOYSA-N 488.563 5.547 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NCC(=O)Nc2cc(Cl)ccc2C#N)cc1 515673613 CQSOPMDUAINXIT-UHFFFAOYSA-N 460.965 5.812 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 516086743 OAHIBYPKLJEFIK-UHFFFAOYSA-N 496.394 5.626 30 20 JKED Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2)c(C)c1C 517733459 KJDJTKMELRAIGM-UHFFFAOYSA-N 461.587 5.178 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 518756028 VSYJYPVCLKMZLP-HNNXBMFYSA-N 475.412 5.302 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1OC 519515764 VQAHXHGGZJYFLZ-HNNXBMFYSA-N 453.589 5.403 30 20 JKED Cc1ccc(N(CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)S(=O)(=O)c2ccccc2)cc1 521797680 SJOQZPHRBNZREI-NRFANRHFSA-N 493.654 5.613 30 20 JKED CN(CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C)Cc1ccsc1 590613705 CGOPBZSBALUFIF-FPLPWBNLSA-N 474.655 5.925 30 20 JKED C=CCn1c(SCC(=O)N(C)CCc2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl 591240657 BSJNKNAEOGZBLZ-UHFFFAOYSA-N 491.444 5.240 30 20 JKED O=C([C@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593039748 MGBGLSILFLWYLK-QWQRMKEZSA-N 467.356 5.674 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 599229055 OOQBANBZSALPFY-UHFFFAOYSA-N 456.354 5.385 30 20 JKED N#Cc1cc(NC(=O)c2cc(Cl)ccc2I)ccc1OCC(F)(F)F 603692107 CBRFUTWSSSSFGQ-UHFFFAOYSA-N 480.611 5.010 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)cn2)cc1 603765420 UKLVRWUJESMIRQ-UHFFFAOYSA-N 482.471 5.154 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2cccs2)cc1 604140772 ZDEBFFVOKDOHSE-AREMUKBSSA-N 496.592 5.604 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1C 604519661 MTIGBDAOTDBMTG-IGKIAQTJSA-N 456.590 5.321 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(C(F)(F)F)c1 608865436 NJGZXOHBDKVIMX-NRFANRHFSA-N 482.462 5.360 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(Br)cc2I)cc1 609032179 SSMDWSSFSSFJAH-UHFFFAOYSA-N 469.120 5.107 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Oc4ccnc5cc(Cl)ccc45)c(F)c3)cc2)c1N 609074349 ZCJWBWOOXYMQJP-UHFFFAOYSA-N 498.905 5.711 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 609078918 UGXDXLKBCMTJQV-UHFFFAOYSA-N 497.382 5.855 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1ccccc1Cl 609087445 PYXOMDILULMMCF-GOSISDBHSA-N 461.949 5.257 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 609088650 HHKJJTRMIYCEIW-FQEVSTJZSA-N 473.529 5.197 30 20 JKED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609124437 JCYQSQOBJLUUTN-UHFFFAOYSA-N 473.548 5.171 30 20 JKED COc1ccc(-c2cc(CSCC(=O)Nc3ccccc3SC[C@H](C)C#N)on2)cc1 609388683 CCWQGMWCMZMGPS-MRXNPFEDSA-N 453.589 5.474 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427163 RFZLGNRNHHTCPJ-HSZRJFAPSA-N 492.373 5.506 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)n2)cc1 612941638 JFUMVWHQWFGWPM-PGRDOPGGSA-N 479.627 5.029 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622092886 KFGBILVGDUMOII-BSLXNSKLSA-N 464.372 6.317 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 642281820 MKLGLVIOVICNIB-HXUWFJFHSA-N 487.924 5.343 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 725733822 HEZGVIZDEFVHQI-UGKGYDQZSA-N 479.646 5.616 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)c(F)c1 726412080 PPLNWNVCTMTENT-GOSISDBHSA-N 483.487 5.223 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc([N+](=O)[O-])cc1 726571377 FUOVYZJVGLRXDD-UHFFFAOYSA-O 465.942 5.293 30 20 JKED COc1cc(/C=C2\SC(=S)N(CCc3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N 726626258 CIAWISJAVMZTLD-ODLFYWEKSA-N 479.410 5.348 30 20 JKED CCN(C[C@H](C)C#N)Cn1nc(CSc2nc3ccccc3s2)n(-c2ccccc2)c1=S 726963549 GVZWEGFVOCOQNW-QGZVFWFLSA-N 480.688 5.744 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccc(F)cc2)c1C 727252293 CNSFDKZBTXQFIB-QHCPKHFHSA-N 493.608 5.128 30 20 JKED CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 728471465 NZNJOJHTYHHIND-UHFFFAOYSA-N 474.460 5.311 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(Cl)c2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729145046 HJPIMWQBODYMTQ-RBBKRZOGSA-N 490.000 5.097 30 20 JKED COc1cccc([C@H](C#N)NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1OC 729435818 ZOLDKFRQOJKISF-KDOFPFPSSA-N 471.966 5.015 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)c1 729634877 VWKDVXAJGHDIKA-HSZRJFAPSA-N 476.577 5.306 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(OCc3ccccc3)cc2)c1 730439968 JORVLOVTAKNPEC-UHFFFAOYSA-O 478.597 6.057 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)c1 730443238 BXGANVRWMLDDNM-HSZRJFAPSA-N 476.602 5.057 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCc3c(C)noc3C)C2=O)cc1 730443920 ICMXGNSWWLDFIX-QHCPKHFHSA-N 494.592 5.250 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730459024 FFILQTQKYOLHLT-GOSISDBHSA-N 497.539 5.792 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731304235 MUAIVDOOKLPVHD-LJQANCHMSA-N 473.476 5.068 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CCC2)C1=O)Nc1cccc(O)c1 731305362 KBTAVRFZRONRET-SFHVURJKSA-N 464.374 5.212 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2)cc1 731307049 ZSPVURSPEOAUPU-QFIPXVFZSA-N 495.988 5.215 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(F)c(C)c1 731309693 URGJUKAPAGIVRG-QHCPKHFHSA-N 493.560 5.009 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)ccc1F 731311217 ZAMFPJZIOVGRJZ-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N\[C@@H](C)c1cccs1 731311270 AGGIWMJFTXEWKD-STTQMSBCSA-N 485.656 5.414 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 742504711 IFXBMSFPOKQQHY-SANMLTNESA-N 489.616 5.389 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc(OC)c1OC 745998296 IXCKOSWEIMXJMJ-VURMDHGXSA-N 474.485 5.028 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccc1S(=O)(=O)C(F)F 747066485 LWRZRNWYRWMYDP-VQHVLOKHSA-N 479.482 5.224 30 20 JKED COc1cccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)c1OC 747434855 ZHXBDPLXPUBWJZ-BAOGPQIGSA-N 493.567 5.347 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 749328475 UXJFLCSVJCFYND-UHFFFAOYSA-N 480.765 5.589 30 20 JKED N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)CC2)c(F)c1 750693555 DXWNTRYXBHJBMP-MRXNPFEDSA-N 479.408 5.337 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2ccc3ccccc3n2)n(C2CCCCC2)c1C 753772980 TUHYXGBTNGZDME-PFONDFGASA-N 456.546 5.225 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc2c(c1)OCCO2 766959906 KPFDIZHEUYTLEV-SFHVURJKSA-N 494.400 5.135 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(O)c3ccccc23)c1 807579653 YJWMEJJDXXQSOL-UHFFFAOYSA-N 492.984 5.832 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CCc1c(C)nn(C)c1C 809810947 TZGKEQGBLFUDEA-HSZRJFAPSA-N 477.590 5.191 30 20 JKED CC(=NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 812369996 VCBUFPIKCBPOGE-UHFFFAOYSA-N 458.303 5.103 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 837371314 WKGXAEJBWGWIJM-MHECFPHRSA-N 490.604 6.066 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 837766550 YJTDNDZXQPVNDN-IQGLISFBSA-N 498.583 6.095 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 837883365 FNVKOGWSIXZVES-YCRPNKLZSA-N 482.968 5.596 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1F 838228806 AEFIKDPJTGTGKK-VGOFRKELSA-N 462.550 5.251 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccco3)C2=O)cc1 838586878 IXZRTQYYBUFHDO-NRFANRHFSA-N 485.512 5.117 30 20 JKED C[C@@H](OC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 853830208 QZIKCCBGKPAHND-GFCCVEGCSA-N 463.540 5.162 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)nc(O)c2c1C 915101963 LJSDQGUJZNJZMD-GOEBONIOSA-N 480.640 5.635 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccccn3)C2=O)cc1 916216001 MRBSIWZGRZMJLT-XMMPIXPASA-N 488.613 5.339 30 20 JKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2c(OC(F)F)ccc3ccccc23)cc1 916331444 MARXMVMZIFLROR-UHFFFAOYSA-N 462.428 5.472 30 20 JKED CCCOc1c(Br)cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc1OCC 916549014 DUMUDSMYMWHNIW-SFQUDFHCSA-N 453.402 5.139 30 20 JKED CCCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916628306 QTCCCTFWOJXZLC-HXUWFJFHSA-N 452.963 6.092 30 20 JKED COc1ccc(OC)c2c1CN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C[C@H]2O 916684255 UZWKIJJIZJTOQB-SIKLNZKXSA-N 477.948 5.094 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916883472 LDIRZUOVLBJVCS-JOCHJYFZSA-N 492.503 6.288 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916901058 XKYIRQNSIFWEMU-HXUWFJFHSA-N 484.943 5.471 30 20 JKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916908131 LPAGHFCZZCNBNQ-WTNAPCKOSA-N 453.498 5.035 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)COc2ccc(C3SCCCS3)cc2)cc1 916914311 KLPYWXCWKYRJFQ-JOCHJYFZSA-N 468.644 5.624 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4cccc5ccccc45)cc3)o2)cc1 916915981 MODKRGKXIYCTCR-XMMPIXPASA-N 472.504 5.826 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OC 916916190 PTSAIAXWUBMVCA-GOSISDBHSA-N 481.346 5.361 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)SCC(=O)Nc3ccc(F)cc3)n2)cc1 916974776 PWWOJWZHVUYWCM-KXBFYZLASA-N 453.564 5.194 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nnc1-c1cccc(C)c1 916975432 ZLNGGWKEKKCEGC-FQEVSTJZSA-N 473.627 5.674 30 20 JKED N#C[C@H](C(=O)CCS(=O)(=O)C1CCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997399 XVANMRKQLCMAGE-OAHLLOKOSA-N 457.404 5.041 30 20 JKED Cc1c(N=Cc2cc(Cl)ccc2O)cccc1NC(=O)c1ccccc1I 917558608 RPSQRNIUVGUYJJ-UHFFFAOYSA-N 490.728 5.962 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cs1 917559925 FPWCFHVJCQGOHT-XOKBLVTISA-N 459.527 5.874 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)C=C)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 917625019 UWIUVANGFBHKAV-UHFFFAOYSA-N 458.370 6.074 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(SC(F)F)cc1 917654016 QWXFSZHDBQIBPT-LJQANCHMSA-N 493.601 5.307 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cc3ccccc3o2)C1=O)NC1CC1 917656926 QYLNDZZNQXEHIF-HXUWFJFHSA-N 487.503 5.252 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1Cc1ccc(C#N)cc1 917661285 BBPQMNLSUHFNBP-RUZDIDTESA-N 497.624 5.093 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc2ccccc2c1 917699017 PTVQBBHIVMVOPD-DEOSSOPVSA-N 471.582 5.222 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C(C)C)c2)n1 917715492 ZHGVXHMUDSDJAC-HSZRJFAPSA-N 473.602 5.069 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2sc(CC)cc2C#N)ccc1Cl 917877712 CTECWWGURGCWRO-UHFFFAOYSA-N 486.018 5.469 30 20 JKED CCc1ccc(N(Cc2ccc(C)s2)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 918604953 WHMYBYKPTQTDIW-UHFFFAOYSA-N 457.603 5.316 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1=S 918731346 YDTKITFQVMKRLU-UHFFFAOYSA-N 471.001 5.612 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c(Br)cc1O 921262105 PVIWUXVAKHNNBH-FMIVXFBMSA-N 482.330 5.077 30 20 JKED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1782197325 IKDJDDVJCOFNJL-ZEQKJWHPSA-N 492.582 5.457 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C4CCC(NC(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785809083 NSBUWSXLTKLGGX-UHFFFAOYSA-N 481.637 5.170 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccc(F)cc4)cc3)CCC2)cc1 1786032752 ZYJVDXWJAKFMFY-IZZNHLLZSA-N 467.544 5.443 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)cc2)CCC1 1786315857 GIMPVVYXHYTFRB-ZCYQVOJMSA-N 457.574 5.082 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4ccccc34)CCC2)cc1 1786370466 BDZDHLOXYIGACF-KRWDZBQOSA-N 463.965 5.227 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3)CCC2)cc1 1786548072 MBXSEGLVNMZFBO-JOCHJYFZSA-N 481.568 5.043 30 20 JKED CC(C)(C)n1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cn1 1787071133 IKUOBGQQWHAECQ-UHFFFAOYSA-N 475.980 5.225 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)cc3)CCC2)C1 1788529249 HPFHHHUBZFLRMG-QHCPKHFHSA-N 483.653 5.416 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)CCC2)CC1 1788687358 RZOJAGGWYHAHCX-UHFFFAOYSA-N 459.933 5.651 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)c1 1788785736 ALEXMXMPDPEACF-QGZVFWFLSA-N 492.501 5.789 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)cc(Cl)c4n3)cc2)CCC1 1789370992 RFMXDFQKZJXEDC-GFCCVEGCSA-N 496.942 5.073 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cc2)CCC1 1790137706 LHKZBBNUXDYKGA-QGZVFWFLSA-N 478.980 5.069 30 20 JKED CC(C)(C)OC(=O)C(C)(C)CC(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1790354682 GIGVFBHPRNANSL-UHFFFAOYSA-N 489.616 5.258 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4c[nH]c5ccccc45)cc3)CCC2)cc1 1790396525 LUDHYBZBLYVRBD-UHFFFAOYSA-N 462.553 5.224 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)ccnc4Cl)CCC3)cc2)c(Cl)c1 1790764209 PNYYQKAZPPSNFH-UHFFFAOYSA-N 483.330 5.461 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)cc4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681541 WFAUPEASXVCVCX-QHCPKHFHSA-N 493.579 5.139 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792337887 BIJBMMMMRVSNEH-PMACEKPBSA-N 491.579 5.025 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)c(Cl)c4)CC2)C3)c1 1792941692 PCGBVOQDLDCGLG-KOUNCHBCSA-N 496.438 5.168 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(Cl)c(C)c2)[nH]n1 1796368925 GEIOWQICOUMPRM-WOZUAGRISA-N 467.013 5.059 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(Cl)cc2Cl)c1 1801554189 VNYYXVDPFHYTEY-NUNAXRQHSA-N 484.427 5.069 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802829123 DSDNMBADWZFCQI-RZPHLTDDSA-N 466.025 5.313 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1803092629 XWLUVNFKMJCCKK-LSYYVWMOSA-N 486.660 5.160 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807845536 JWQDGTYUHXNRGI-LBNVMWSVSA-N 496.655 5.764 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)CC1 1808900790 DLICAKGGJXPBPO-ATIYNZHBSA-N 476.596 5.018 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1)c1ccccc1 1809161060 CPBGWEXHBRTMPA-ATIYNZHBSA-N 457.618 5.233 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1809213717 BOGAMHWTKSQJDD-FIPFOOKPSA-N 498.671 5.613 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1Cl 1813864098 URXLGKSNKXXZGD-YQIFXUADSA-N 487.003 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1813964959 JFYKSBZBUIYZAK-KKLQWCBXSA-N 489.513 5.328 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)[nH]n2)C1 1814397797 YQPZNWJDJIWPCY-QFIPXVFZSA-N 454.530 5.581 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)[nH]n1 1814439956 HPMGWZABDCKTKM-QHCPKHFHSA-N 459.594 5.185 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)[nH]n1 1814827503 QUOXJMUXHONCMU-IBGZPJMESA-N 473.021 5.089 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816462731 WGEKBJKQDPJOLF-WIYYLYMNSA-N 452.599 5.683 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)sc3C2)C1 1817407760 PDXHZGDCMOVCIF-QGZVFWFLSA-N 467.978 5.249 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819154737 CSKXKDYRLGSEBP-NRFANRHFSA-N 493.709 5.376 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)[nH]n1 1819302318 DDJLYGMPDXXZHR-ZCYQVOJMSA-N 492.620 5.232 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1819309604 XSYSLEZETFSAJY-JTHBVZDNSA-N 464.610 5.661 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Br)c2F)[nH]n1 1819309620 YNZSAAOKGTWIEH-KXBFYZLASA-N 489.389 5.386 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)[nH]n1 1819311045 JIOZNPCSNUWVIO-ISKFKSNPSA-N 462.594 5.273 30 20 JKED Cc1cccc(C)c1SCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1819590585 VVBHBMREILSIKL-QHCPKHFHSA-N 487.629 5.191 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)[nH]2)n[nH]1)c1ccccc1 1819634817 VVZYNEAMVJYMRM-RXVVDRJESA-N 497.521 5.260 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)c1 1820506062 AMOOHUWSDWNSSN-FQEVSTJZSA-N 486.334 5.347 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)c1 1821324884 HBBNVRCVALTESL-OAQYLSRUSA-N 481.478 5.228 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821522979 OEONELMXZWXJMR-VGOFRKELSA-N 487.560 5.048 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)[nH]n1 1821919765 CZQNYRWMUAGHAC-NTKDMRAZSA-N 482.588 5.267 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)[nH]n1 1821923935 SMKNKZYRIRVASY-WJPVBLRZSA-N 474.605 5.329 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1822581801 YLPFOMSDCRHQCL-RUZDIDTESA-N 470.573 5.702 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)ccc2c1 1823215656 ZEBOTUYUXJCCOI-SIBVEZHUSA-N 492.583 5.513 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OCC4CC4)cc3)n[nH]2)c1 1823272790 GINRBCVYUFOMCU-BCHFMIIMSA-N 497.599 5.445 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1823647068 ONBSRQJQDMAOAW-JOCHJYFZSA-N 488.770 5.431 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1823683346 SLCHLFUSILTULZ-VWLOTQADSA-N 497.561 5.443 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1823888371 YVZUBXFWESASTB-QFIPXVFZSA-N 496.449 5.385 30 20 JKED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1 1824420041 KNGPWJPCXIIXCG-QGZVFWFLSA-N 489.597 5.251 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)CC1 1824779163 JEEGCSWVEDDNFW-AHKZPQOWSA-N 459.634 5.165 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c3ccccc3n3ccsc13)CC2 1825253527 UNLSZGLWZFTJKY-CYBMUJFWSA-N 486.569 5.048 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)oc3C)CC2)c1 1825951380 MJQAJSSNXJOFRM-RUZDIDTESA-N 491.632 5.313 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)c1 1826504181 ZOQCKRZBOJGYRW-RXFWQSSRSA-N 478.036 5.443 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1827173427 OZJPCVSLNULJGW-NDEPHWFRSA-N 482.628 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2Br)CC1 1827769900 AXDRHYNIKWFYHV-ICSRJNTNSA-N 463.416 5.044 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828167202 ZQGGFNLRLKOFKZ-MBSDFSHPSA-N 454.014 5.334 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)c2[nH]1 1828207906 CKZJIEXOXHHBDC-MHZLTWQESA-N 482.628 5.214 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1828776746 AQNQKFLRZBHIAZ-AVRDEDQJSA-N 467.660 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1828826833 CPWVLHPJUSEEGW-OFNKIYASSA-N 471.573 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(Cl)cc2Cl)CC1 1829064355 ASGVHDOFRLBUMY-FQEVSTJZSA-N 466.453 5.614 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1829955977 ZOWJXZKSTDOAOE-NDEPHWFRSA-N 478.596 5.167 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)c3ccc(O)cc3)CC2)c1 1830341417 ZIJPBIJCDVKYJJ-BUEREQSYSA-N 473.617 5.056 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1830595566 HPGUCOIHUBJRJK-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc(Br)cnc23)CC1 1830999584 VAKAFUQMOAOENH-WZONZLPQSA-N 498.465 5.443 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1831851714 SGYBJCHHQNFVIC-XMMPIXPASA-N 471.601 5.465 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)CC1 1831851821 AKBKEXUZYAGCMM-DEOSSOPVSA-N 499.627 5.210 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)c1 1832629189 LMZSCVWERKHUEQ-IDISGSTGSA-N 487.619 5.418 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c(Cl)c1 1832629914 WOYMTCVVDMWJJG-QHCPKHFHSA-N 488.390 5.551 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NO[C@H](c4ccccc4)C3)CC2)c1 1832631318 CJJTXKXMKPGQOR-MHWRTBLVSA-N 498.627 5.065 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(c3)CCCC4=O)CC2)c1 1832632566 TXYKPOBKHVYRHO-LYZGTLIUSA-N 497.639 5.380 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3nc4ccccc4o3)CC2)c1 1832632778 BZYHJJCUWXUHHA-NTKDMRAZSA-N 470.573 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1832634715 YYCSSNRYMCDBSM-KBMIEXCESA-N 489.019 5.386 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2F)CC1 1832722895 CEZSAKHNFXKVEV-JOCHJYFZSA-N 495.408 5.154 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 1833079258 XUSFITIBZWHYPD-UHFFFAOYSA-N 480.480 5.171 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1836883814 POLKFAMEMJUOHZ-AREMUKBSSA-N 494.657 5.153 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)CC1 1838131074 WXAYMBXLZHQRCD-SANMLTNESA-N 487.644 5.129 30 20 JKED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)CCCCCCCCc2ccccc2)C1 1847025753 PGMCAEAWCFPQCI-UHFFFAOYSA-N 454.655 5.146 30 20 JKED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1Oc1cccc2ccccc12 1847811360 QHDKWKOHKUVCMZ-OPXMRZJTSA-N 470.569 5.039 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(C(C)(C)C)cc1 11153469 DDMGGIUTBILUMY-UHFFFAOYSA-O 453.578 6.218 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(NC(=O)c3cccs3)cc2)n(C2CCCC2)c1C 12480133 BSHHXMXHRGQTFH-UHFFFAOYSA-N 490.585 5.201 30 20 JKED O=C(/C(=C(/S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1 14872522 JHZNACBZADCQLO-UHFFFAOYSA-O 489.514 5.942 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1 15027880 AWJZLAPBWCCBQH-UHFFFAOYSA-N 490.938 5.760 30 20 JKED N#Cc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)c1 15644408 JOWZLANRQYVZQH-UHFFFAOYSA-N 453.470 5.143 30 20 JKED Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 16908944 LXRRZMKNPMXPLF-INIZCTEOSA-N 482.631 5.587 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccnc2Cl)nc2cc(-c3ccccc3)sc2c1=O 18519619 TXGZWVOYUDMUPW-AWEZNQCLSA-N 483.018 5.479 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC2CC2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 22560470 DHLYHUBKSDEFOS-SFHVURJKSA-N 469.614 5.414 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(C(CC)CC)cc2)c1 22732406 WUCXLTONNINGST-UHFFFAOYSA-O 451.681 6.861 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)cc1 22803052 LNGNQMLFTHJEBV-UHFFFAOYSA-O 479.691 5.311 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nc2sc(C)c(C)c2c1=O 23405156 ZBMKXUCQGJSYLM-GDBMZVCRSA-N 467.616 5.365 30 20 JKED C=CCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2scc(-c3ccccc3)c2c1=O 23563987 KRHNWPNLIDSTMM-UHFFFAOYSA-N 482.656 5.433 30 20 JKED C=CCn1c(SCc2coc(-c3ccccc3)n2)nnc1-c1ccc(Br)cc1 24295120 YLAXDVGZIBJSIN-UHFFFAOYSA-N 453.365 5.841 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)nnc1-c1ccccc1 26231506 NEBQKXWVLJIOCG-UHFFFAOYSA-N 498.612 5.150 30 20 JKED C=CCn1c(SCc2noc(CC)n2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 59961171 PSEDALRYTGXACQ-UHFFFAOYSA-N 468.586 5.892 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cc2s1 109369100 KDGAIKVBZVPDHS-OAHLLOKOSA-N 468.629 5.826 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c(C#N)c(C)c1C 116906649 NDNVZOSXKNZNBD-UHFFFAOYSA-N 481.025 5.248 30 20 JKED O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NCC#Cc1cccc(C(F)(F)F)c1 216056726 RLJVMISDAORWLJ-UHFFFAOYSA-N 497.464 5.391 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1 409523007 RECVEHSDAOFJSZ-MRXNPFEDSA-N 476.390 5.471 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 481684629 NDZCXIGWVXKBHG-QGZVFWFLSA-N 487.535 5.443 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCc1nnc(-c2ccccc2)o1 483368013 ATNXZPAXHYOPJH-UHFFFAOYSA-N 454.505 5.612 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1SC 484338451 VORAMDOOSIUOMI-UHFFFAOYSA-N 483.933 5.682 30 20 JKED CC(=O)N[C@@H](CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)c1ccc(Cl)cc1 501163584 RMMSDFHCSDNPCQ-DEOSSOPVSA-N 463.940 5.460 30 20 JKED Cc1cc([C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)nc(C)n1 502678313 ZYAFTZBIWLBAGK-QGZVFWFLSA-N 470.385 5.658 30 20 JKED Cc1ccccc1[C@H]1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 504865074 UPNDFJXYQXATTC-NRFANRHFSA-N 455.583 5.227 30 20 JKED Cc1nc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)sc1SCC#N 508978930 JPEKHRXPQKAWDZ-SZMVWBNQSA-N 475.039 5.133 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc2ccccc2n1C(F)F 509915216 WEBQVGXWXUHLFC-KRWDZBQOSA-N 475.499 5.959 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1OCC(=O)N(C)C 510712402 BFOQCNKXIZCVQF-XMMPIXPASA-N 486.572 5.399 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 511565410 SFBYCXPKTBVRCS-SQHAQQRYSA-N 487.556 5.327 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c4c(n3-c3ccccc3)CCCC4)o2)cc1 512343031 YQCQBYHNERFIMI-UHFFFAOYSA-N 485.569 5.017 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 512493803 LBRZLDKIHNZSLM-INIZCTEOSA-N 482.359 5.342 30 20 JKED Cc1cccc(Oc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)c1 513836730 MLERPTZZPJFOOV-UHFFFAOYSA-N 468.513 5.762 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)oc12 515258581 PQHFKRCXFLDPKU-QGZVFWFLSA-N 484.512 5.015 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1 515540537 ZMHPZVRZNLOAAV-HXUWFJFHSA-N 496.013 5.573 30 20 JKED C[C@H](c1ccccc1)n1c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccccc1 515574093 GYXCEYMVVLYYAV-DVECYGJZSA-N 465.582 5.324 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516014739 ZODOUAFTGXECHQ-VGSWGCGISA-N 471.944 5.900 30 20 JKED CCn1c(O)nc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc2c1=O 516710785 SSHVDOGMMZXHLO-HNNXBMFYSA-N 485.352 5.042 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1Cl 517142480 RKDFDDMSHGMWEW-DEOSSOPVSA-N 496.998 5.821 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2sc3c(c2c1=O)CCCC3 517449182 QLMSAMONIQCFMA-OAHLLOKOSA-N 498.699 5.339 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(OC3CCCC3)c2)c1 518031445 QANKORXCFMXHEM-UHFFFAOYSA-N 471.582 5.863 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 518151784 XDUBVFQGVXIRCG-UHFFFAOYSA-N 481.952 6.669 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1Cl 519058556 IICXYPGIJOYYJH-VWNXMTODSA-N 458.949 5.091 30 20 JKED C[C@@H](SCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)c1ccc(Cl)cc1 521024103 LUSLTBOTDMPUOY-VQIMIIECSA-N 458.027 5.504 30 20 JKED CCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCSc2ccc(Br)cc21 557581377 HGMFFOAHBGLBLM-BEFAXECRSA-N 490.492 6.792 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)sc2c1CCCC2 561069913 OPEZQRCBJIPLOQ-UHFFFAOYSA-N 451.861 5.004 30 20 JKED CC1(C)CN(CC2CN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C2)c2cc(C3CC3)ccc21 567629222 YYFZMFRVIAHQGT-UHFFFAOYSA-N 478.596 5.493 30 20 JKED COCCCn1c(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1Cl 589897737 DNSLOPKUBYKJKH-UHFFFAOYSA-N 490.416 5.281 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 591728039 HGBZVQIVRBPKMJ-FQEVSTJZSA-N 470.520 5.160 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2Cc2ccco2)cc1 598110061 RVCXGSSIDDACRK-XWJIAHPJSA-N 493.633 5.006 30 20 JKED COc1cc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1OC(F)F 603828339 QPMWQGXKBIJQGX-UHFFFAOYSA-N 481.499 5.606 30 20 JKED CCN(CC)Cc1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604140352 PKOJFRIHVWHATE-RUZDIDTESA-N 489.019 5.092 30 20 JKED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609058372 OFUYPUWKBZNABP-RTBURBONSA-N 471.557 5.409 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 609061995 QCAAUMVRKBWHTI-GOSISDBHSA-N 456.571 5.755 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2cccc3ccccc23)C2CCCC2)cc1 609063675 MDZXAEJKPQIVON-UHFFFAOYSA-N 460.599 5.502 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 609079812 LQINNBQXRBHGEH-UHFFFAOYSA-N 474.605 5.092 30 20 JKED C[C@@H](Nc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 609414977 ZZBXLGUVIDNRJL-HXOBKFHXSA-N 457.534 5.455 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804113 AAKVJOJOMQCADY-HWWDLCQESA-N 494.455 5.699 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)N(C)C)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 643127460 YUIROBIAXGXOCD-UHFFFAOYSA-N 467.422 5.030 30 20 JKED C=CCn1c(Sc2ncc(C(F)(F)F)cc2Cl)nnc1[C@H]1COc2ccccc2O1 669672223 OYIGKPQYWDHOON-OAHLLOKOSA-N 454.861 5.195 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)cc1Cl 726407793 VMNTXLDJXUZICD-HXUWFJFHSA-N 488.947 5.393 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CCc2ccc(C)o2)C1=O 726418708 ANWXWJKYJREBHD-JCPNLMEESA-N 497.642 5.291 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2ccc(C)s2)C1=O 726422345 VJGLBLQLUBEOQU-WSJNKUPNSA-N 499.683 5.717 30 20 JKED CCO/C(O)=C1/N=C(C)C(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)=C1C 726570524 DAPZYCWHOCQPTQ-UHFFFAOYSA-O 496.012 5.528 30 20 JKED CCc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3cccc(OCCCC#N)c3)s2)cc1 726744216 XHYKOPHNUFKVHS-HMMYKYKNSA-N 452.967 5.772 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 728422984 IBCJATOTSKNCHV-DEOSSOPVSA-N 479.565 5.200 30 20 JKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 728669169 LLIBZEJURPFMCW-HNNXBMFYSA-N 456.414 5.227 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)c1 728777141 ZPUGUZNISAGEBI-JOCHJYFZSA-N 462.619 5.574 30 20 JKED C[C@H](CC#N)N(C)Cn1nc(CSc2nc3ccccc3s2)n(-c2ccccc2)c1=S 728902299 NREXHUAIYGAAMX-MRXNPFEDSA-N 466.661 5.497 30 20 JKED Cc1occc1-c1nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c(=S)n1Cc1ccccc1 728903459 NXXAFUNQEBZKRP-UHFFFAOYSA-N 485.613 5.403 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2scnc2C)C1=O 729143368 QFWFWCXYEABFOG-OAQYLSRUSA-N 494.642 5.237 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)CC2)c1 729416052 HCKVPKPBXUXJED-UHFFFAOYSA-N 451.501 5.596 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4cc(Br)ccc4c3Cl)n2)cc1 729892631 FDQZPLSHVRMJPZ-OAHLLOKOSA-N 498.814 6.802 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CCC2)C1=O 730462182 XJUBANYPIIEYCT-IBGZPJMESA-N 478.401 5.515 30 20 JKED Fc1ccc(Br)cc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730584704 YTSHFWKGZWUOCY-UHFFFAOYSA-N 476.158 5.236 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc2ccccc12 730710996 WPSYHCBPZJGOEI-FQEVSTJZSA-N 487.610 5.160 30 20 JKED COc1c(F)cc(Br)cc1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 730766585 TYWNHTWDEQYQDS-SFHVURJKSA-N 475.339 5.053 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730942147 GNYGWBUFOKLNJC-CYFREDJKSA-N 472.614 5.927 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730945583 USLLWWZNVVPLAX-SBUREZEXSA-N 476.577 5.505 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 731060610 ZKWVLGMUKYTNSA-IBGZPJMESA-N 481.577 5.949 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 731079055 ARDJDUHGECYPBZ-KBPBESRZSA-N 467.374 5.194 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1-c1ccccc1 731313238 UXFWWQYIRNWRCQ-RUZDIDTESA-N 498.608 5.713 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CCc1nccs1 747602314 KPDACUPSHRRFJU-NRFANRHFSA-N 478.643 5.217 30 20 JKED O=C(/C=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccc(N2CCOC2=O)cc1 748584650 SZONJTZIGRTJQV-ZQHMHTFJSA-N 459.342 5.411 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CC(F)(F)F)C2=O)cc1 799210591 BPYNXVUFYVLRSX-LJQANCHMSA-N 479.524 5.306 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(CC(F)(F)F)C1=O 799214128 GRPQRNQXCAVULY-SFHVURJKSA-N 499.942 5.488 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1CC 799221956 OOAMJPMSQNWJTM-GOSISDBHSA-N 460.386 5.149 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1CC(F)(F)F 799222502 AKDAGQYLHGEQMZ-SFHVURJKSA-N 499.942 5.434 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 837397884 LPHARLTZRWKXFG-YADARESESA-N 488.613 5.510 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)Cc2cccs2)C1=O 914694214 FAKDVHHNWACMSC-OPAMFIHVSA-N 497.617 5.487 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 915056978 BMNIJJHCOKSEFP-FQEVSTJZSA-N 461.635 5.165 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086017 QWDNJQWBIWOVGS-QHCPKHFHSA-N 458.359 6.076 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CC2CCC2)C1=O 915115889 AKZYOJAGMYOPBY-HXUWFJFHSA-N 457.983 5.109 30 20 JKED CCOc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)cc1OC 915115952 AXYLHWGBIYPWPR-DEOSSOPVSA-N 489.597 5.254 30 20 JKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c12 915576975 GIRQLKAPTUCCCL-UHFFFAOYSA-N 478.574 5.100 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)c12 915578002 KYBYOLFFRWVGDD-GOSISDBHSA-N 474.561 5.162 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 916210358 CLVZXPNKAYVEFT-SFHVURJKSA-N 498.407 5.519 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 916232533 DBXQMPFQLCDWMB-AWEZNQCLSA-N 480.270 5.399 30 20 JKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 916721083 VMBFGQDMFBJZDL-UHFFFAOYSA-N 468.601 5.986 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(N)nc(Nc2ccccc2)n1 916880865 QLXMBHQLIIEHOQ-MOEXGYKKSA-N 492.383 5.125 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916902848 KIMNPUCIKLWOKU-GOSISDBHSA-N 492.919 5.139 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc(-c2ccc(Cl)cc2)cs1 916976157 LYULQRCUWJNYRM-ISKFKSNPSA-N 484.964 6.408 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cn(Cc2ccccc2)c2ccccc12 917507111 OIQVNEMZGSOZKN-OAQYLSRUSA-N 467.525 5.017 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)cs1 917564007 UGJULBAAPCKDNU-ODLFYWEKSA-N 483.018 5.990 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(F)ccc2F)cc1 917612120 IDSUWOZHONYORJ-UHFFFAOYSA-O 464.561 6.351 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(Cl)cc1 917678722 CSTYGFPVJHLPQO-LJQANCHMSA-N 480.417 5.299 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2)CC1 917678830 OIISOEGKOHNPJI-JOCHJYFZSA-N 499.080 5.563 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2[N+](=O)[O-])cc1 917683016 PLPUGEQDOZMSCJ-JOCHJYFZSA-N 474.542 5.064 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC2CCC2)C1=O 917704775 NIZLEWAGQKIARV-JOCHJYFZSA-N 497.020 5.289 30 20 JKED Cc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)cc1F 918492990 YNNZPSZHAWDIKG-AWEZNQCLSA-N 474.439 5.622 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 920168906 PEBPOBLLHBUXBH-RPBOFIJWSA-N 498.583 5.654 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 920173504 PNYHWVXBKCXQQB-AOMKIAJQSA-N 497.617 5.926 30 20 JKED C=CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 920804118 LKKCWCSPTROKMF-DYLHUKMJSA-N 452.482 5.551 30 20 JKED COc1ccccc1-c1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c(O)n1 1537042831 YRUDYCPOFXIAJK-HNNXBMFYSA-N 455.436 5.036 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C#N)c1Cl)C2 1781931333 JOARBVQUMDQLAK-AJTFRIOCSA-N 488.072 5.336 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)c(F)cc5[nH]4)CCC3)cc2)cc1 1785881633 FAUQSCPGJVVJDR-UHFFFAOYSA-N 484.506 5.308 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)cc2)CCC1)C(F)(F)F 1786334218 YRYYNHGVTBQNEW-NHCUHLMSSA-N 458.480 5.051 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccs4)on3)CCC2)cc1 1786393697 HJPMXGCCLSBPDB-FQEVSTJZSA-N 455.605 5.105 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C=O)s4)cc3)CCC2)cc1C#N 1788157948 WPDHRZBUHDQVNB-UHFFFAOYSA-N 487.581 5.281 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccoc5c4)cc3)CCC2)cc1C#N 1788487225 OZKNQJFFUONSJI-UHFFFAOYSA-N 494.551 5.548 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(-c5nccs5)noc4c3)cc2)CCC1 1789224097 HHOXPTKATNFMTK-AWEZNQCLSA-N 478.599 5.017 30 20 JKED CCCCCc1ncc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)s1 1789578292 NRVQCOAIOVEBII-JVWAILMASA-N 478.618 5.336 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)sc1C 1789986334 ZECBCKVBXCFGTE-UHFFFAOYSA-N 464.978 5.347 30 20 JKED CC(C)n1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)n1 1790083050 XVCLVZCVFFCXQO-UHFFFAOYSA-N 461.953 5.051 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc(Br)cc4)CCC3)cc2)c1 1790149200 URHQRQBTAQFWQJ-NYYWCZLTSA-N 489.373 5.110 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(Br)cnc34)CCC2)cc1 1791583750 HQGJLPAWAKRHPX-UHFFFAOYSA-N 490.401 5.549 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1792572720 QYJUXMYIZJRZFD-BCDXTJNWSA-N 455.580 5.054 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccccc1)C2)c1ccccc1 1798554090 XZSICFONIIXGIU-XUJYPJAKSA-N 477.608 5.198 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)C[C@H]1C 1799950093 WRBSHSJSDYABND-DGGUMURQSA-N 491.717 5.315 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Br)c1 1800439198 CNIHSLQAKHFTSZ-MHORFTMASA-N 465.819 5.123 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1OCc1ccccc1)C2 1801637783 QORSYNVAVGQLBV-PSWRPDDJSA-N 467.009 5.383 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@H]2c2cccnc2)C1 1802405803 GFQCSPQLOCQQOO-ANQYBJAXSA-N 492.063 5.681 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c(C)cc2OC)[C@H]1c1cccnc1 1802500359 MZZDIIJMZBKNKN-DHLKQENFSA-N 463.622 5.019 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1803084629 UJGAOCKCBMUZBJ-PWUYWRBVSA-N 496.655 5.389 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1C(F)(F)F 1803867439 SSCAKYLFPLEHON-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=CCOCCCC(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C2)CC1 1805635727 ISQCIZONLYIOMP-VWLOTQADSA-N 475.073 5.294 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)/C=C\c4c[nH]c5ccccc45)C3)CC2)c1Cl 1806878606 VDGOIAZRDFIOAE-KTKRTIGZSA-N 487.003 5.251 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(F)c2)[C@@H]1c1cccnc1 1807878784 CYOOHLUEBGAEFH-CUBQBAPOSA-N 498.602 5.371 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1809463460 NSLVDPVCMZTUNG-URXFXBBRSA-N 480.052 5.465 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1810174139 LSMANPUODXEVMK-TXTKFYIRSA-N 472.416 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[C@H]1c1cccnc1 1812428572 OSRZSUYCRCVDHC-GPXOXTDOSA-N 497.083 5.036 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1814303136 LXYARGXPFJLSIM-HTLVZCCDSA-N 469.629 5.394 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)[nH]n1 1814441853 SWODKRNKJHFCQX-LJQANCHMSA-N 474.005 5.155 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2Cl)N(C)C)[nH]n1 1814828281 FIDSQNYQTRUGMY-ISKFKSNPSA-N 484.044 5.127 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1815214383 AHMXNMKUVFLRQF-LAUBAEHRSA-N 487.560 5.048 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2csc3c2CCCC3)[nH]n1 1818115426 BMPUIGWUJUOHOH-GNISGLHKSA-N 494.642 5.157 30 20 JKED CC(C)n1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)c(C(F)(F)F)c1 1818213778 LNLXKHKNSDGRER-NRFANRHFSA-N 498.509 5.302 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818453568 ZBMAYVZWPPQJFE-RUZDIDTESA-N 479.540 5.063 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4cc[nH]c4c3)n[nH]2)c(Cl)c1 1818487998 SYFYQBBZPZPNTM-JOCHJYFZSA-N 472.936 5.036 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819386335 JJFSXASCMXMRHG-HYBUGGRVSA-N 489.696 5.394 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115891 QNMHOMIXIZUFJO-HXUWFJFHSA-N 459.575 5.502 30 20 JKED Cc1cc(Br)sc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1 1820315624 JGSVSDCJSBNGAL-KRWDZBQOSA-N 498.406 5.034 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)[nH]n2)cc1 1820554337 XSTBKSCAGVLZNF-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccncc3-c3ccccc3)sc2C1 1821000378 XCNNXMWLXNABAP-VQTJNVASSA-N 472.614 5.199 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3)[nH]n2)cc1 1821179496 GHBBSKARCNMERW-NRFANRHFSA-N 499.468 5.253 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)n[nH]1 1821287909 YKGZOCRAHNWTSK-IBGZPJMESA-N 471.533 5.064 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)c1 1821322788 SWWOMRGRNGYZCV-AREMUKBSSA-N 477.568 5.292 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)cc1C#N 1822023176 ZTCZXBGUPRAPID-RLIDHQHUSA-N 489.620 5.201 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)n[nH]2)C1 1822489155 JGVYUWYEVPKUOX-LJQANCHMSA-N 480.918 5.283 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1822582653 QTYLFBHENUOCOX-IBGZPJMESA-N 480.918 5.581 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)[nH]n2)c1 1823215481 SUMCJDVZQQMSPO-BXKMTCNYSA-N 466.545 5.138 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)c2ccccc12 1823604435 LPHSDWTXKXMBHL-TWKIEXGSSA-N 497.599 5.208 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccc(C)cc3)CC2)C1 1823700290 PNAKDHNDIYAWHC-AREMUKBSSA-N 457.618 5.257 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 1823751248 NTIHYXSICYHZNP-AREMUKBSSA-N 463.666 5.333 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1823810523 QRJATBDLDZOIGV-KXTRFFEISA-N 489.582 5.089 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1824140658 BUHDVBFPGGNMMW-AMEOFWRWSA-N 489.704 5.753 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1824326483 PVBFLYIQGXWWKV-OEMFJLHTSA-N 491.717 5.148 30 20 JKED CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1824347478 YMUYTRBMGHYJJZ-JTSKRJEESA-N 463.544 5.247 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)CC1 1825996666 QVCMFIDHZQFBLR-FQEVSTJZSA-N 465.560 5.326 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCC([C@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826676993 MDRHUSYUFGWVOH-MRXNPFEDSA-N 468.413 5.030 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1827299866 UPTBEAMIEXXKHU-RUZDIDTESA-N 492.660 5.677 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)C1 1827517804 NUOXKQRVLUCFLP-JOCHJYFZSA-N 454.014 5.329 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1828396332 BISVHRUXYPQAND-PFBJBMPXSA-N 490.047 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1828829629 FMWAJIYFPLOFHT-OFNKIYASSA-N 491.047 5.418 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1828907600 DVRDMZSMKIMZOT-BKMJKUGQSA-N 478.700 5.403 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471713 KWEJIEQSEXQBNF-QHCPKHFHSA-N 459.030 5.164 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(Cl)c3)CC2)C1 1830517731 QIQMTYPDJHABDS-OAQYLSRUSA-N 479.846 5.302 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830654072 MSFDFCRAPKCIQK-OAQYLSRUSA-N 467.412 5.559 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccncc34)CC2)c1Cl 1830861087 LWLOTXIKFMYMRA-VWLOTQADSA-N 487.003 5.307 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831306078 PIJIVQKRUSDAIA-AHKZPQOWSA-N 489.100 5.682 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@@H](C)S)CC3)c2c1 1831838992 JLIVIYBMEUIDLZ-GCJKJVERSA-N 486.678 5.192 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)s1 1832173996 OLQBMNNCKRBYEV-DRBUTMMVSA-N 465.594 5.014 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ncccc34)CC2)c1 1832632469 RQVDDDOHGIWGNN-KMRXNPHXSA-N 480.612 5.409 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832704989 UNOFKDXAJUGOJZ-HXUWFJFHSA-N 472.498 5.459 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1833076785 HETUXCRJPRCUGH-KCWPFWIISA-N 481.725 5.380 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)CC1 1838375855 UTWSXFCWMNKBNS-TXTKFYIRSA-N 484.603 5.122 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC4(CCCN4C(=O)C/N=C/c4ccco4)C3)cc2)cc1 1844315151 OIHNXPJPUQGSMU-ZCTHSVRISA-N 483.612 5.225 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)C1 1845643061 VKZZJEFZWJTSHR-UHFFFAOYSA-N 492.845 5.393 30 20 JKED C#CCCCC(=O)N1CC2(CCCN2C(=O)[C@@H](c2ccc(OCc3ccccc3)cc2)C(C)C)C1 1846247507 IGNXFYCUOPQQIQ-MUUNZHRXSA-N 472.629 5.012 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2cc(Cl)ccc2c1=O 9353420 CTKXMVPKJADEBA-UHFFFAOYSA-N 489.211 5.927 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)CCC2 10829896 CNVVMLXFKXAOGJ-UHFFFAOYSA-O 481.616 6.244 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)Nc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 14325351 JACKEDZUBLIZGN-UHFFFAOYSA-N 473.558 5.025 30 20 JKED Cc1ccc(SCCNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 14803576 DZAPJYGGVWOPMH-UHFFFAOYSA-N 461.612 5.120 30 20 JKED CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 16827792 DMWDFWMIJNZUQH-OAHLLOKOSA-N 451.621 5.286 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 17543722 ZBQYZLRTNWPNFQ-UHFFFAOYSA-N 466.946 5.330 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 17733204 JODGJZZVURUOAB-UHFFFAOYSA-N 476.341 5.005 30 20 JKED Cc1ccccc1-n1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nnc1-c1ccncc1 18473209 UOIIKJROFLUOSX-UHFFFAOYSA-N 463.570 5.296 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccc(C)s4)csc3[nH]2)nnc1-c1ccc(F)cc1 20067223 FGPSQLPDDPQFHP-UHFFFAOYSA-N 495.630 5.897 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731118 IGBCLHRJZWAIRQ-UHFFFAOYSA-O 471.577 5.764 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2cccc(O)c2)c(Cl)c1 22732859 VNYYRJFRULPQEC-UHFFFAOYSA-O 470.958 5.217 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(C)Cc2ccc(C#N)cc2)s1 25119416 PLBDKQBNJOLUNA-UHFFFAOYSA-N 468.582 5.635 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 25664338 IXZXWLWRDOCGAB-AWEZNQCLSA-N 465.497 5.025 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nnc(-c2cccc(C)c2)o1 26433742 OOUXPIQDGUFBDS-MRXNPFEDSA-N 451.527 5.394 30 20 JKED COc1ccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O 33655863 ZTFHFIWMQZRAFM-HDSGJDLKSA-N 467.521 5.406 30 20 JKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c2ccccc12 58304178 MVNRBAZIEOMUTC-DHZHZOJOSA-N 464.493 6.164 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c1 68759146 DVDJCGGZYMZABX-UHFFFAOYSA-N 494.378 5.042 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1ccncc1 255929655 JWDMOZFHGIMLBG-HSZRJFAPSA-N 471.586 5.397 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)c2C#N)C1 487383789 DGWGTHKRWAUHDM-ZDUSSCGKSA-N 484.672 5.722 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 497829097 RPHNIEZJWGFVGD-OALUTQOASA-N 450.539 5.036 30 20 JKED C=CCN(C(=O)c1ccc(=O)n(-c2ccccc2)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 498623955 PAKBDFQEWKLCQS-UHFFFAOYSA-N 490.588 5.856 30 20 JKED C[C@H](NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1ccc(C#N)cc1 503163179 BCHBCNJWGKFDMQ-JTQLQIEISA-N 487.791 5.321 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1 505691592 IEOZRLPPLJDYLT-UHFFFAOYSA-N 453.502 5.079 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)o1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 506560372 FCLBEZPDMOHWPL-UHFFFAOYSA-N 493.610 5.153 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)s2)cc1 510235241 IMOCHJWFJIGUQE-KRWDZBQOSA-N 478.628 5.681 30 20 JKED C=CCc1cc(CNC(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc(OC)c1OC 512487769 ZJNZQTQFEMSUCN-INIZCTEOSA-N 469.582 5.564 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 512859822 FHOATWZGXDFVBE-QHCPKHFHSA-N 491.494 5.504 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 512988224 UZIROYOKWINTQX-UHFFFAOYSA-N 454.313 5.254 30 20 JKED N#Cc1c(NC(=O)c2ccc(F)cc2I)sc2c1-c1ccccc1CC2 515625415 OUZYGQBFZNRICS-UHFFFAOYSA-N 474.298 5.381 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1nc(-c2ccncc2)cs1 516331439 QLWYYYPFNBJYRA-IBGZPJMESA-N 490.382 6.037 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C 517132114 WYCYZEQKDUGPDB-XMMPIXPASA-N 482.544 5.410 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1C 518668396 AFKFQPODLMXQAC-UHFFFAOYSA-N 499.580 5.302 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 519424740 DJBNAZYYFLNAFO-MRXNPFEDSA-N 486.018 5.645 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 520848037 DFOZTNRZRAEKGZ-HNNXBMFYSA-N 495.592 6.028 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521208516 ZINNGPIMVPMFQV-CYBMUJFWSA-N 477.537 5.946 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)N2Cc3ccccc3-c3ccccc3C2)cc1[N+](=O)[O-] 522436742 ZMSROMBAJSJIOF-UHFFFAOYSA-N 493.523 5.204 30 20 JKED N#C[C@H](NC(=O)c1[nH]c2ccccc2c1Br)c1ccc(OCc2ccccc2)cc1 524333120 JPVMWLPELDPPTH-NRFANRHFSA-N 460.331 5.504 30 20 JKED CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 524392696 YZRPFSIGSKOZBP-LJQANCHMSA-N 453.970 5.014 30 20 JKED COc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OC(F)F 524442669 XMCFTIFXBAQLGA-UHFFFAOYSA-N 467.472 5.377 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 588713122 OLZFVJQPMQHIOR-QHCPKHFHSA-N 471.523 6.279 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1 589830756 SCPNJBNWUMQDJK-HSZRJFAPSA-N 488.996 6.540 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2C(F)(F)F)c1 603624177 UTIBDVKBNIVIKX-UHFFFAOYSA-N 463.419 5.511 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 603968642 HGFCGLIGYKMTEF-UHFFFAOYSA-N 468.563 6.221 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 603968911 KZWUZYJHSIGMOR-UHFFFAOYSA-N 483.515 5.796 30 20 JKED CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc21 604020139 GNBIEKNIAHNMMF-UHFFFAOYSA-N 469.541 5.161 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c1 608808269 YIEGTGASIAKLJW-RUZDIDTESA-N 450.494 5.651 30 20 JKED CC(C)CC(=O)N[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 608959941 QBBDPIVJPRLNDE-HHHXNRCGSA-N 455.558 5.174 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(Br)c1 609078201 GOGFLFHOZLQDCY-UHFFFAOYSA-N 450.336 5.530 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc2c(cc1Br)OCCO2 609388226 WHMRVHFPIRTUTM-CQSZACIVSA-N 493.448 5.486 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)n2)cc1 613318249 SJNUPGRPVZSETB-OAHLLOKOSA-N 470.451 5.952 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)sc2n1 613318341 YIAWIHXCRMOSPO-OAHLLOKOSA-N 464.572 5.077 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)no1 613394091 AVZIANRIYMBJDT-JUZOYQPNSA-N 474.586 5.371 30 20 JKED COc1ccc(CNC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1F 616097276 CUCMHUHPQPKFDG-UHFFFAOYSA-N 470.341 5.038 30 20 JKED COc1ccc([C@@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2)cc1 619670503 WVGUVFLFIVOAGY-FCEWJHQRSA-N 478.408 5.696 30 20 JKED O=C(c1ccc(Oc2ccc(Cl)cc2)c(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622379559 YWQKEPPGPPDZQT-UHFFFAOYSA-N 455.757 6.228 30 20 JKED O=C(NCc1cc(Br)ccc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 624415720 VKYIFHXJVAUNAB-AOOOYVTPSA-N 499.196 5.323 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2ccccc2)C=C1 725764112 QRVSPYVRKKHPFH-UHFFFAOYSA-O 466.586 5.735 30 20 JKED O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 726287076 IDOFRZHCNJDBFE-BRPSZJMVSA-N 498.823 5.619 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 726395727 BCFKKMSYZPONKD-DJJJIMSYSA-N 481.952 5.004 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)S/C1=N\[C@@H](C)c1cccs1 726419704 GPLZXBMYUVKYMO-NSEJETEYSA-N 466.028 5.210 30 20 JKED O=C(Nc1cccc(C=NNc2ccc(S(=O)(=O)C(F)F)cc2)c1)c1ccccc1Cl 726426623 WNDVRXJVDOGSBO-UHFFFAOYSA-N 463.893 5.035 30 20 JKED COc1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)cc1NC(C)=O 726428695 OIIZJGIQQJWBFZ-BQYQJAHWSA-N 457.349 5.436 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCc2ccc(F)cc2F)cs1 727059727 AZBYQDUPODKWBR-UHFFFAOYSA-N 454.424 5.248 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1c(F)cccc1F 727626905 IPCPKBXVDGOCNI-KSSFIOAISA-N 494.350 5.839 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)cc2F)c1 728183115 OOZQSESOOWFFLQ-UHFFFAOYSA-N 457.505 5.041 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)N3N=C(c4ccco4)C[C@H]3c3ccco3)cc2F)c1 728200482 HYGDFTWOGAYCDF-QHCPKHFHSA-N 484.487 5.252 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc2F)c1 728391659 ASZOYESBCOIAKX-SANMLTNESA-N 459.521 5.254 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 729035843 JCBZDAPNPHZYKX-IDISGSTGSA-N 454.574 5.261 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c(C)c1 729141482 ACCPUYDZUYAKBH-FQEVSTJZSA-N 464.616 5.229 30 20 JKED CCOc1cc(/C=C(\C(=O)c2cccc(OC)c2)c2ncc[nH]2)ccc1OCc1ccccc1 729240506 QBFVZYKVOZIIHE-LFVJCYFKSA-N 454.526 5.820 30 20 JKED C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1N1CCC(O)CC1 730675606 ONRVWXPKYMLNFH-NYTXWWLZSA-N 499.471 5.057 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 730685561 AAWTZPMIARZOEX-GOSISDBHSA-N 456.424 5.059 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)cc1F 730718559 KYVXFUWBHDAJSC-LJQANCHMSA-N 490.919 5.075 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)c(F)c2)c1 731308681 PLTJQRLOVGWZHK-QHCPKHFHSA-N 493.560 5.009 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 731400521 QJNGNSCZOYBSLZ-GBXCKJPGSA-N 497.668 6.582 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S 746055837 HNEFIMASVAZHNO-UHFFFAOYSA-N 468.630 5.512 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)cc1 746416440 JEYOQHGUBFLGHK-HXUWFJFHSA-N 454.511 5.154 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cscn3)C2=O)cc1 747601543 VRDKHNBQXXSDHX-HXUWFJFHSA-N 499.017 5.160 30 20 JKED N#Cc1c(NC(=O)COC(=O)Cc2csc(-c3ccc(F)c(F)c3)n2)sc2c1CCCCC2 750163068 VRTCQGYQBZUVIU-UHFFFAOYSA-N 487.553 5.015 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)Cc2ccc(C#N)cc2)cs1 750243120 VQRWYZFECZPQIZ-UHFFFAOYSA-N 460.342 5.292 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)C1 750789820 FEHGVCSQYHWHKG-GOSISDBHSA-N 451.592 5.086 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cnn(Cc3ccccc3Cl)c2)cc1 767230199 WZDWYRMIRNKRBO-UHFFFAOYSA-N 466.998 5.050 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc12 824701737 GBPQWDPMXHWMLG-QGZVFWFLSA-N 476.533 5.027 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCc2cccs2)C1=O)Nc1ccccc1F 837301347 XJPCUFLWWHDFOK-FQEVSTJZSA-N 471.554 5.229 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 837639237 PFNGMZSDGQYNNM-WZONZLPQSA-N 476.577 5.559 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837837518 PXUYFRXIHATCTD-JTSKRJEESA-N 462.550 5.251 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccc(Cl)s2)C1=O)NC1CC1 914538009 IIHGWVGINOARPJ-LJQANCHMSA-N 470.019 5.355 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1 914849865 CUEMHMUXJMNJAC-UHFFFAOYSA-N 483.959 5.255 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 915085135 GZOGLFRHNXRQAX-ZEQRLZLVSA-N 478.379 5.892 30 20 JKED CCOc1ccccc1C(=O)NCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915102009 PQGAAPKAVJCMAU-LJQANCHMSA-N 467.978 5.249 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2cccs2)cc1 915743818 VCAMZKQHRIMHLZ-IXCJQBJRSA-N 493.632 6.371 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2)c1 916205940 MMPWQBOAPVLUML-JOCHJYFZSA-N 481.524 5.134 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(C2CC2)C1=O 916209555 NFTNHRLHPBXCCF-GOSISDBHSA-N 464.374 5.125 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)c1 916210157 BWISLWGTOVGSEZ-JOCHJYFZSA-N 481.524 5.134 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccc3)C2=O)cc1OC 916210353 CGXTWGLAGWTJAG-HSZRJFAPSA-N 493.560 5.003 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(C3CCCC3)C2=O)c1 916217244 IVBFYZSQFGWLBW-JOCHJYFZSA-N 481.618 5.224 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1cccc(NC(=O)c2ccccc2Cl)c1 916277926 XOMJOHHXUJQBIO-UHFFFAOYSA-N 463.950 5.030 30 20 JKED Cc1cccc(-c2nn(Cc3ccccc3)cc2C=Nn2cnc3sc(C)c(C)c3c2=O)c1 916310788 JYDQWKSCEPDPTL-UHFFFAOYSA-N 453.571 5.177 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(COc3ccc(F)cc3)n2)cc1 916951457 YMQALZIEELHODP-MGPUTAFESA-N 451.523 5.336 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(F)cc3Br)n2)cc1 916975315 XPHKMYCUHFVRIU-XJKSGUPXSA-N 459.340 5.664 30 20 JKED COC(=O)c1cn(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc12 916996354 LEGKXGLXYYTUED-INIZCTEOSA-N 484.364 5.735 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1 917019072 XLLBVPVPYHAVNF-ZQGDAAQZSA-N 477.973 5.131 30 20 JKED Cc1nc(NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)sc1SCC#N 917202355 GLTJKZVZYGCQRC-UHFFFAOYSA-N 487.404 5.334 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccccc3C(=O)NCc3ccccc3)c2)c1 917810917 DOOGXPFCQHBRJC-UHFFFAOYSA-N 490.563 5.118 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918616485 OLPAAOOGNDQUMF-XAYXJRQQSA-N 498.674 5.097 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c12 919206058 SJLORKVRHDYDOU-GOSISDBHSA-N 493.583 5.249 30 20 JKED CC(=O)N(c1nc(COC(=O)CSCc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C 919208200 XFLKBXJQRMMZJH-UHFFFAOYSA-N 479.627 5.601 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 919652652 CHZIIVSWTRXWHA-KPWCQOOUSA-N 471.417 5.034 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)COc1ccc(C2SCCCS2)cc1 920102825 ZVPMKRCHPZTRJI-IBGZPJMESA-N 450.585 5.316 30 20 JKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920108160 PKSPTAIZQNVRPX-IBGZPJMESA-N 467.294 5.019 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 920110947 WYGFOJXWEKNTGJ-ZUZCIYMTSA-N 485.154 5.001 30 20 JKED CC(C)[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1nnc(-c2ccccc2)n1 920113573 YCUGJKJSANYBSD-QAPCUYQASA-N 470.480 5.042 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)[C@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)nc(O)c23)C1 920140763 JLWZGWMWUHKTFU-KSSFIOAISA-N 499.621 5.326 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cs1 920375783 YXMXUZANYWMJPR-UHFFFAOYSA-N 483.859 5.854 30 20 JKED CCOc1c(Cl)cc(C=NOCc2coc(-c3ccc(Br)cc3)n2)cc1OC 920485420 CKASTHVYVFOCNW-UHFFFAOYSA-N 465.731 5.716 30 20 JKED N#C[C@H](C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 920805990 HQAIZVFGCRGFHU-ARFHVFGLSA-N 477.561 6.624 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 920869918 QAMUPXBGECIHAM-RBZFPXEDSA-N 495.979 5.169 30 20 JKED CCCOCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 920914640 RUEXUUOBSPVNLX-CLFYSBASSA-N 468.575 5.208 30 20 JKED CSc1nc(O)c(C(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)cc1C#N 1350355493 UKGWYFZHRADFPF-AWEZNQCLSA-N 458.008 5.369 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc4c3oc3ccccc34)CCO2)C1 1779242609 COIVUVRRZXYHAG-NDEPHWFRSA-N 460.574 5.022 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)cc1 1786036374 BKCZOTHKYPWEMQ-IBGZPJMESA-N 453.542 5.118 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CCC2)cc1 1787889045 CCEHRECQSDXOKW-AREMUKBSSA-N 473.523 5.936 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4csc(-c5ccccc5)n4)cc3)CCC2)c1 1788834672 BVLQYUXDLAMVQG-UHFFFAOYSA-N 467.554 5.071 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(F)F)cn3)CCC2)cc1 1789453129 MRBFIJXHEFBUIX-HXUWFJFHSA-N 455.505 5.199 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(Br)c3)CCC2)cc1 1789455763 CCSBFCCWSWDLBC-HXUWFJFHSA-N 468.395 5.360 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)COc3cc(Cl)ccn3)cc2)CCC1 1789618049 OADVPHUCOVJALZ-UHFFFAOYSA-N 453.970 5.016 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ncsc4[nH]3)cc2)CCC1 1789667252 GXVAJGGPCMWSRJ-UHFFFAOYSA-N 478.694 5.423 30 20 JKED C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1)Oc1ccccc1 1790290492 QLYMFCHRRGOCGD-FQEVSTJZSA-N 453.542 5.164 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CCC2)cc1 1790511595 UQYYXKXSFJQVGF-FGCOXFRFSA-N 466.622 5.236 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3C)CCC2)cc1 1790569809 SLWPPAKSEXDGAS-QGZVFWFLSA-N 475.511 5.562 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)CCC1 1790670009 NGPRLZDGIKFDSA-UHFFFAOYSA-N 477.923 5.177 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc(C(F)(F)F)n4)CCC3)cc2)cc1 1790702953 FFWZUWSGTFGPCM-UHFFFAOYSA-N 492.501 5.157 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)[nH]4)CCC3)cc2)c1 1790765040 NQGXMMLQOSZUML-UHFFFAOYSA-N 470.426 5.106 30 20 JKED CCc1oncc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785602 VJKFYVAMSUTCSS-UHFFFAOYSA-N 482.462 5.189 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1 1791254512 RBUKJXXKSPIRAN-FQEVSTJZSA-N 467.569 5.521 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)cc2)CCC1 1791452096 WVAPQGYXAOMRSI-DENIHFKCSA-N 469.626 5.122 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)c1ccccc1)c1ccc(C#Cc2ccccc2)cc1 1793966238 XUOHOFIMYYPQOL-PUHABZHSSA-N 466.556 5.049 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)c1 1796476346 FUPIBERRKJRTIH-YEHREXKJSA-N 478.596 5.250 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1801640374 GYNLOFOQQQIICW-JVIOVZNBSA-N 452.545 5.349 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1802503735 XFNZNSWPPXYGOG-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1803083704 HAVKOXMEEJUUCY-NAKRPHOHSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803092602 XFOZTSSGBXUYQF-WIOPSUGQSA-N 478.036 5.241 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)C(C)(C)CCC=C)C2)CC1 1804866910 WKTOHCUOHXOXLU-QFIPXVFZSA-N 489.701 5.070 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H]2CC=C(C)CC2)[C@H]1c1cccnc1)c1ccccc1 1809483591 HBSWLZGDXOYDCV-AOGFTHLWSA-N 469.629 5.031 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@H]1c1cccnc1 1809687866 GYRMQYDPAMZSJO-TXBYWVTISA-N 484.522 5.114 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1810175554 LGZVZUZMHYMBSA-KIFXHHALSA-N 451.998 5.131 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cc(F)cc(F)c3)C2)CC1 1810385243 YCVBYSFQCDQGFE-UHFFFAOYSA-N 489.513 5.083 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1811941522 GMIVMVKFEBDGKQ-GMAHTHKFSA-N 471.523 5.188 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1812785236 OAIONTREGBBBDY-JPMIEVGJSA-N 451.655 5.462 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(F)c(C#N)c2)[C@H]1c1cccnc1 1812808217 GAIFRRXDZDQODY-LXFBAYGMSA-N 492.639 5.337 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1813057840 IJAGKDLSQYXEMD-AMGIVPHBSA-N 471.626 5.270 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1813229098 WCDAQQXBXMBDFW-ABYGYWHVSA-N 483.587 5.401 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)c1 1815243612 PQIVMQYMFCMTBD-ISKFKSNPSA-N 477.634 5.040 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cccnc4s3)n[nH]2)c(Cl)c1 1818574412 NIJQKCBQHNOVDE-LJQANCHMSA-N 490.976 5.164 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3Cl)n[nH]2)cc1 1818744695 XDPCFKJQYVDJSD-JOCHJYFZSA-N 472.936 5.036 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093685 OTRSQOZQNSNOFS-AUSIDOKSSA-N 493.658 5.433 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)c(F)c3)n[nH]2)C1 1820237938 UJJKZVCYMGXGTJ-XMMPIXPASA-N 458.537 5.488 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)c1 1821273189 BIKFVFASAWIMJL-MRXNPFEDSA-N 492.363 5.408 30 20 JKED Cc1cc(F)c(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1821332543 ZIMKLMYTHXPXEU-LJQANCHMSA-N 483.906 5.141 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1821925018 LBMSHMKSMHLZPM-SJKOYZFVSA-N 453.345 5.374 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821925864 AQARXUZKWZBXIL-LIRRHRJNSA-N 466.479 5.015 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)[nH]n1 1822391820 KBYVKXNQRAIETF-VWLOTQADSA-N 492.583 5.129 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1822581098 JIHUAEMJGZSAPR-DEOSSOPVSA-N 470.573 5.702 30 20 JKED CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)CC2 1822734694 NSEGUOWBHJORLW-QGZVFWFLSA-N 476.524 5.006 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccnc(C(F)(F)F)c3)[nH]n2)c1 1823210822 GKGRRYLYFMGGCX-YWZLYKJASA-N 496.493 5.070 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1823256740 NHFFTUDIVACILL-IBGZPJMESA-N 498.370 5.216 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1823685503 YYFFAAWBWJSERE-YUIIDABDSA-N 499.655 5.223 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1824140850 NNSJUABUOPZEBS-QFIPXVFZSA-N 475.077 5.293 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1824502830 ZWVVUUSZXVAAOE-QFIPXVFZSA-N 484.534 5.061 30 20 JKED O=C([C@H]1[C@@H]2CCC[C@H]1c1ccccc1N2)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826523538 URMKTYLZGVQAJD-OBOPQLKYSA-N 495.667 5.036 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c(Cl)c1 1827684419 AVPCFZBAEYGJMA-CZQLGGELSA-N 485.049 5.382 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1 1827923849 AOCUKKMNHAHENB-XMMPIXPASA-N 463.647 5.237 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)cc1 1828294607 DRLNVOPXLBLIAR-RUZDIDTESA-N 474.992 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nn2-c2ccccc2)CC1 1828824228 GIBUQBXTYLICJY-FTJBHMTQSA-N 474.649 5.182 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1828826488 FCJCTDUHTGBRPL-UPVQGACJSA-N 487.648 5.008 30 20 JKED O=C(c1ccc(Oc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828999491 UFWZIPXHIUWGOA-GRDXZWITSA-N 499.611 5.424 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 1829066508 GWDNXPAYLIEMFQ-OAQYLSRUSA-N 465.560 5.326 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)cn2)CC1 1829183208 YQRUZFWKZJBKEM-NRFANRHFSA-N 476.459 5.070 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncccc3C(F)(F)F)CC2)c1 1829393221 RBQHOJXRNAFAOR-MBSDFSHPSA-N 498.549 5.275 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829569876 DLSKHMJBGLJNLU-BKMJKUGQSA-N 493.673 5.411 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829598090 QVYFSAYDEWUVIU-VGOFRKELSA-N 481.687 5.448 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3scnc3C3CC3)CC2)c1Cl 1829688083 RRDYAMNAFBRKND-HXUWFJFHSA-N 483.037 5.093 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)CC1)c1ccc(O)cc1 1830089309 QKSGQJKAPSRQJX-WXVAWEFUSA-N 494.582 5.101 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830663592 PYMVZBOVXXVUSE-VGSWGCGISA-N 465.009 5.323 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c(F)c1 1830723062 VPUUJBXJINLHEF-XMMPIXPASA-N 467.972 5.206 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c1 1830769561 SPELROGRWYRLIY-DEOSSOPVSA-N 472.614 5.024 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1830785091 ZKPVUIODLIONKF-QFIPXVFZSA-N 473.404 5.049 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1831374861 JGCLIEADNSIXBJ-DVECYGJZSA-N 483.056 5.186 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831376159 JYMJEUGIPPTZNO-CPJSRVTESA-N 458.602 6.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cnccc34)CC2)c1 1832631534 FEGQLAHKHNUAQY-KMRXNPHXSA-N 480.612 5.409 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633053 DLWUMMDBXGWOQG-ZBLYBZFDSA-N 475.608 5.237 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 1832633804 NRDQCKAFFANAJR-DFBJGRDBSA-N 464.009 5.514 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1F 1832635327 ABTJDSOVYBHOBM-YADARESESA-N 479.571 5.447 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)CC1 1832657889 KUJDOWUVIYUXTG-FYYLOGMGSA-N 459.030 5.350 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCCCC3)CC2)cc1C#N 1832701802 RPLCEJVTMPQKCO-VWLOTQADSA-N 465.638 5.159 30 20 JKED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)CC1 1837071384 GAVNJRODPNNHEA-UHFFFAOYSA-N 493.094 5.086 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CCCCCC(C)(C)C)CC3)CC2)c1 1838535297 RCTDXEKUOZGRIL-UHFFFAOYSA-N 497.680 5.176 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172711 VUFDPPYXJVZKHT-UHFFFAOYSA-O 496.386 6.496 30 20 JKED Cn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1-c1cccs1 10302818 WIHCJHYVDQQIEG-ZDUSSCGKSA-N 471.677 5.359 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nc2cc(Cl)ccc2c1=O 10657580 JNUWYPHJKGHIRJ-LBPRGKRZSA-N 458.012 5.293 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2N2CCCC2=O)nnc1-c1ccc(C(C)(C)C)cc1 11452777 XUZLBHCMZLJSSV-UHFFFAOYSA-N 489.645 5.286 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 15701409 UHSGRLBLULISRV-UHFFFAOYSA-N 495.004 5.255 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 22123232 KTHJOYSPYBXZHO-CPJLOUKISA-N 498.649 5.294 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(C)c2C)cc1 22729360 CLLGHWJPOQYVNJ-UHFFFAOYSA-O 467.605 6.824 30 20 JKED C=CCn1c(SC[C@@H](O)Cn2c3ccccc3c3ccccc32)nnc1[C@H]1COc2ccccc2O1 25766824 RITLLILKCCGYEU-AFMDSPMNSA-N 498.608 5.238 30 20 JKED C=CCn1c(SCC(=O)NC(C2CC2)C2CC2)nc2sc(-c3ccccc3)c(C)c2c1=O 26639992 KGRFRHOAMDIXPP-UHFFFAOYSA-N 465.644 5.016 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H]2CCc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 27820709 OJNJRXFGWDVBQQ-FQEVSTJZSA-N 473.429 5.676 30 20 JKED C=CCOc1c(Br)cc(CNCc2cccc(NC(=O)C3CCC3)c2)cc1OC 28926896 XPGLKMPPHYDRGP-UHFFFAOYSA-N 459.384 5.051 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 32787631 NTBMTMZAQRNRSP-HZPDHXFCSA-N 477.659 5.331 30 20 JKED CCn1cnnc1SCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 96893610 BLNOZQPLGNYQHE-CLFYSBASSA-N 479.631 5.642 30 20 JKED Cc1cc2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)n2c2ccccc12 105403956 SFGUYOLFURCQNG-GOSISDBHSA-N 455.568 5.283 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 195635861 YRFYXGSDEQWURB-UHFFFAOYSA-N 490.007 5.084 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c(C)c1 255142755 OSDSSWGSBRWNNU-XMMPIXPASA-N 472.614 5.476 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)CC2)c1 303175045 CANFHQDOTMRNLQ-UHFFFAOYSA-N 466.463 5.399 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3ccc(NC(=O)c4cc5ccccc5o4)cc3)s2)cc1 410046850 PCXQLILQPIWEBY-UHFFFAOYSA-N 492.560 5.785 30 20 JKED Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1NS(=O)(=O)c1ccccc1 478488733 SIUWPMOOYSSCMM-UHFFFAOYSA-N 499.617 6.071 30 20 JKED C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 484060906 QFHQPWKEJPIWCS-GOSISDBHSA-N 481.474 5.228 30 20 JKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 491721333 JFGDBDZGJNPJAG-LJQANCHMSA-N 456.546 5.509 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N(Cc3ccco3)c3ccccc3C#N)nc(O)c2c1C 500996685 LAERMUQPRZIMIU-MRXNPFEDSA-N 478.599 5.334 30 20 JKED C=CCN(C(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1)c1nc(C(=O)OCC)cs1 501949049 MWBAPZXATKXGOY-UHFFFAOYSA-N 490.560 5.453 30 20 JKED C=CCN(C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1nc(C(=O)OCC)cs1 504329396 QHXRUHNRILJHHP-UHFFFAOYSA-N 456.951 5.385 30 20 JKED N#CCCn1cc(C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 505157842 ZSWDNLIENJXNQC-VWLOTQADSA-N 493.523 5.293 30 20 JKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c(F)c1 508359529 OFCGAVBYXPMMEG-JOCHJYFZSA-N 473.939 5.360 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc([C@@H](C#N)c5ccccc5)c(Cl)c4)CC3)c2c1 510044502 LOSSWKSUSIEJEH-VWLOTQADSA-N 496.998 6.807 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 512484772 DHIHDJXAJLWRFE-QGZVFWFLSA-N 452.555 5.049 30 20 JKED CCCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1[C@@H](CC)N(C)C 513347639 LWTORQXQEUQXJH-QFBILLFUSA-N 488.727 5.412 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc2)cc1 514568738 CMQOEAVCIDLYDN-QGZVFWFLSA-N 464.612 5.279 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1ccc(F)cc1 516045918 UANPPTDBFXGWOL-UZUQRXQVSA-N 463.940 5.683 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 516817136 OAYHOXIVPSTFPY-SFTDATJTSA-N 498.583 5.230 30 20 JKED CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 517404645 PFURUWUJOYDRFG-UHFFFAOYSA-N 478.639 5.211 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccc(F)cc2)cc1 517525015 FTTCTZGVWJSAOW-HHHXNRCGSA-N 495.510 5.343 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccccc1SC[C@H](C)C#N 518660800 BIWLUITXWCQBIY-CQSZACIVSA-N 473.429 6.229 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)cc2)c1 518754573 SJURAAIYMBZCQR-HSZRJFAPSA-N 478.346 5.718 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)CC2)cc1 518814408 GYSMZTZPLUASBW-UHFFFAOYSA-N 497.620 5.333 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)cc2)cc1 519080405 AJSYFBZMZQPFNF-DEOSSOPVSA-N 487.968 5.910 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1)c1ccccc1 519102904 CLPOKQPXGOHPJZ-UHFFFAOYSA-N 474.520 5.339 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(C(F)(F)F)nc2ccccc12 519415611 RAQMNWYVOYZSFE-ZDUSSCGKSA-N 462.522 5.774 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCC(=O)N1CCc2sccc2C1 519433063 OMNHWZRHFWMACS-UHFFFAOYSA-N 467.538 5.076 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 520197657 KUNWDFOLDGXPFZ-HNNXBMFYSA-N 457.987 5.012 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)c2)c1 524326513 ZWEYOSCSKLEXAI-UHFFFAOYSA-N 453.542 5.196 30 20 JKED COc1cc(Br)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524392019 PZWGSXWDBJVABR-UHFFFAOYSA-N 451.320 5.469 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 556504205 HFVSZTLIUVOFCW-UHFFFAOYSA-N 486.547 5.011 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCO[C@H](c2cccc(F)c2)C1 589709810 HQGULPPATBBDAZ-SFHVURJKSA-N 496.379 5.313 30 20 JKED Cc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1NC(=O)N(C)Cc1ccc(C#N)cc1 603562351 POBNPQCQUWZQAV-UHFFFAOYSA-N 466.545 5.066 30 20 JKED COc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(F)F 603748603 LIJHNFRJQKFVIH-IBGZPJMESA-N 471.891 5.927 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 603782448 OEJJSBSJVFAOAT-UHFFFAOYSA-N 476.374 5.624 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccco2)cc1Cl 604157954 CKLLAQYZHREYSM-VWLOTQADSA-N 483.955 5.756 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 604291624 BKMCRHURVNHSRM-SFHVURJKSA-N 473.872 6.087 30 20 JKED C=CCn1c(Sc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])nnc1-c1ccoc1C 608972581 XOGCZIAZNONGBZ-UHFFFAOYSA-N 475.530 5.653 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 609062132 ZGWSVCPRNFYKBT-UHFFFAOYSA-N 491.503 5.087 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 609066818 JQLAAMZVFFSZOV-FQEVSTJZSA-N 462.571 5.465 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)c2)cc1 609176405 HJRGMMNBZZYFOK-UHFFFAOYSA-N 471.520 5.910 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C 609214055 OVXOLLFNXWQBDG-BTYIYWSLSA-N 458.425 5.724 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 609438604 ODEUYYNETPUVSH-INIZCTEOSA-N 465.525 5.203 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)n2)cc1 613314239 DSTCTPZPYGFCGL-JOCHJYFZSA-N 479.627 5.092 30 20 JKED N#C[C@H](C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1nc(-c2ccccc2)cs1 613392114 HFSGTRAZQOKNQA-XMMPIXPASA-N 499.617 5.047 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 614381608 PSBPEMKNCWKTJG-CQSZACIVSA-N 469.950 6.201 30 20 JKED CC(C)(C)n1ncc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1C(F)(F)F 615707626 YCCNICZCGJUTMU-IUCAKERBSA-N 453.349 5.296 30 20 JKED O=c1c(Cl)c(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnn1-c1cccc(C(F)(F)F)c1 618438082 MDLZPXNMXYELIO-QWRGUYRKSA-N 493.757 5.472 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)nnc1-c1ccc(Cl)cc1 619600020 LLUATWHVKPHTGJ-UHFFFAOYSA-N 479.993 5.787 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCCc3ccccc32)C(C)C)nnc1-c1ccccc1OC 639429670 RHOQCBUVZTVKSK-QHCPKHFHSA-N 462.619 5.236 30 20 JKED N#C[C@@H](C(=O)c1occc1CS(=O)(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 642281797 LHOREWUCRJFBQM-IBGZPJMESA-N 482.970 5.520 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)C(C)(C)O)c2C#N)C(C)(C)C1 725934964 LRYHNDIMHSDGDJ-VOTSOKGWSA-N 470.616 5.020 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccc(-c3ccsc3)nc2C)ccc1Cl 726229474 HFTHRXRXOGRCNH-UHFFFAOYSA-N 453.951 5.184 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1Cl 726321603 NFHRDTMTJZHWTM-CQSZACIVSA-N 479.867 5.452 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 726395585 ACHSYQKZHQXGMQ-HTAPYJJXSA-N 471.598 5.334 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406952 NISZBFWWMUEBPE-AOMKIAJQSA-N 489.988 5.328 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccccc1OC 726570522 CURLDSDQDDDBKC-UHFFFAOYSA-O 450.971 5.393 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NCCc2ccc(Cl)cc2Cl)[n+]2ccccc2)N=C1C 726573219 RUCSNRYEUKOEOX-UHFFFAOYSA-O 489.448 5.319 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC)c(Cl)c3)N(Cc3ccco3)C2=O)c1 726889327 DZTLLWWMDRQVSL-NRFANRHFSA-N 499.976 5.111 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(C)c2)c1C 727252231 AJNUQCSUHQSRED-QHCPKHFHSA-N 493.608 5.128 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)O[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c12 727920179 UMEZGAYPFRPMQJ-CYBMUJFWSA-N 478.892 5.315 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 728119175 JRWDKWUXPVKWKC-NFBKMPQASA-N 492.620 5.603 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)COC)c1 728182484 STBXMTUFGHAMND-FQEVSTJZSA-N 486.597 5.052 30 20 JKED CCOc1cc(/C=C2\CCOc3ccccc3C2=O)ccc1OCC(=O)N(C(C)C)C(C)C 728441194 GMXBSBWPRTXZTH-RCCKNPSSSA-N 451.563 5.158 30 20 JKED CCOCCCn1c(NN=C(C)c2csc(-c3csc(C)n3)c2)nc2ccccc2c1=O 729143886 UJDQVUMYWYMJSV-UHFFFAOYSA-N 467.620 5.153 30 20 JKED Cc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1NC(=O)c1ccncc1 729319886 PWSDIFPBMRPMHM-DEOSSOPVSA-N 480.955 6.204 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](CCC)c2ccccn2)ccc1Cl 729390141 TVWPKLGENIEDDJ-QHCPKHFHSA-N 484.021 5.388 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)cc1 729794906 ZZDACZIWOJEUKF-DQEYMECFSA-N 457.961 5.592 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccsc2)C1=O)Nc1cnccn1 730711010 WXQLWMHVQCNJDC-INIZCTEOSA-N 492.413 5.005 30 20 JKED C#CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)cc1 730981372 OSMIETLVNHURHM-UHFFFAOYSA-N 461.374 5.015 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 745406602 PLDHVVUZCQSFLI-UHFFFAOYSA-N 471.941 5.149 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccc(F)cc2F)C1=O)NC1CC1 745581920 ZNGXIXGVRPCBBT-SFHVURJKSA-N 484.355 5.072 30 20 JKED O=C1/C(=C/c2ccc3ncccc3c2)CN(Cc2ccccn2)C/C1=C\c1ccc2ncccc2c1 747317463 VYMPLUYUCMYASZ-HEPXYTLMSA-N 468.560 5.730 30 20 JKED COc1ccc(/C=C2\C(=O)N(c3ccccc3OC)C(=O)c3ccccc32)cc1OCCCC#N 747361638 TXTMGFSCUUTPHT-XLNRJJMWSA-N 468.509 5.114 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc(Br)cc(Br)c3o2)cc1 747560461 DHWWQOGKTMFXEI-OAHLLOKOSA-N 490.151 5.481 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1Cl 799219251 POWCIJIRBGRATM-INIZCTEOSA-N 466.777 5.240 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](C)c2ccccn2)C1=O 837543678 CKJQOLZNPGLBRH-DVECYGJZSA-N 488.613 5.592 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccs3)C2=O)cc1 837545436 ASBUFXSAOZFWHL-NRFANRHFSA-N 465.600 5.307 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 837743541 CSVJZHGQHSCYBI-KSFYIVLOSA-N 483.540 5.539 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 838190634 OIROGKHFPMSYHM-JPYJTQIMSA-N 458.587 5.366 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1sc2nc(C)nc(C)c2c1C 863964835 BQOYXHHEEJOOHG-UHFFFAOYSA-N 464.616 5.594 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 914545631 FQVWWOPHVSDDGG-YKSBVNFPSA-N 472.614 5.098 30 20 JKED COc1cc(C2SCCS2)ccc1OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 914612389 ROXQFWVSFJQXEQ-UHFFFAOYSA-N 497.598 5.115 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(F)c2)cc1 914773154 ZWTHPJHVCQIWNM-JOCHJYFZSA-N 499.514 5.273 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 915085232 IZKYJEFQJXCJRJ-GGAORHGYSA-N 492.406 6.140 30 20 JKED COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 915104128 LTEKILKVASWVMU-CQSZACIVSA-N 462.449 5.172 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ncnc3c2cnn3-c2ccccc2)cs1 915964010 QVARYVZRPFMOJO-UHFFFAOYSA-N 482.573 5.019 30 20 JKED Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc12 916057746 WJXWBOVZPMNQNO-JOCHJYFZSA-N 458.901 5.428 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)cc1 916211445 CSCJOQOZIGEMPZ-IBGZPJMESA-N 463.525 5.630 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccco1 916215011 CKVCWEXYWKGQMR-HXUWFJFHSA-N 498.948 5.310 30 20 JKED O=C(/C=C/c1nc2ccccc2s1)C(c1nc2ccccc2s1)c1nc2ccccc2s1 916844829 FBVUTLWBCGANRH-BUHFOSPRSA-N 469.616 6.930 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 916904511 FJMPHCBPBMPXSF-QHCPKHFHSA-N 482.540 5.070 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(Cc2ccccc2)n1 916907221 VWYJRJCTEZLEKT-HXUWFJFHSA-N 453.523 5.487 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 916938484 LKSIFWNBEFRPKE-QGZVFWFLSA-N 450.901 5.030 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)cc1 916941786 CLUYMXFOABLJPO-FQEVSTJZSA-N 485.565 5.204 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)cc1 916953482 CNDRETKFFDGJPS-VGOFRKELSA-N 475.618 5.146 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1 917019071 XLLBVPVPYHAVNF-VSFZPWCASA-N 477.973 5.131 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)c(Cl)c2)cc1 917613046 JYHVALSNGWPSJJ-UHFFFAOYSA-O 469.417 6.428 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2C#N)c1 917704388 ZWZFYJCTQMHCOQ-HSZRJFAPSA-N 490.535 5.305 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(F)cc2)ccc1Cl 917777547 CMROSPOEJAHJKK-UHFFFAOYSA-N 493.387 5.790 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)c4c(C)[nH]c5ccccc45)cc3)o2)cc1 920102337 SBQJLNYZROJRKE-QFIPXVFZSA-N 460.493 5.707 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)s4)n3)n2)cc1 920144263 ZNFFIHZPXYNYEW-HNNXBMFYSA-N 467.000 5.939 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cc(C)on2)cc1 920358181 YVUFVKWFDNBMBU-QHCPKHFHSA-N 494.592 5.625 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CCC3)n1 921249185 FCCYXFMIUFFFRU-QFXXMJIKSA-N 493.588 5.910 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)c1C 921253870 QFUOYAKTUJDVQM-UZLBHIALSA-N 493.551 5.231 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1Oc1ccccc1)C2 1779270327 DBBGOQTUUQHCFR-FHFHAPQWSA-N 488.628 5.375 30 20 JKED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-c5ccc(CCCC)cc5)cc4)C3)C2)C1 1781504813 YMWNBPYLTWYATP-PMERELPUSA-N 472.629 5.106 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccc(F)cc4)cc3)CCC2)cc1 1786032745 ZYJVDXWJAKFMFY-CLJLJLNGSA-N 467.544 5.443 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccc(F)cc4F)cc3)CCC2)cc1 1786325611 FOZIMAAERQCTHZ-UHFFFAOYSA-N 477.536 5.376 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CNc4ccccc4C3)CCC2)cc1 1786366431 IVEROPSPYYZGMV-JOCHJYFZSA-N 475.633 5.168 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCN(Cc4ccccn4)CC3)cc2)CCC1 1786930808 TXVFWYSUBBQZNB-HHHXNRCGSA-N 486.660 5.196 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788311899 BGKDOZZMZOONLV-LQKURTRISA-N 496.036 5.169 30 20 JKED Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)/C=C/C(=O)c5cccs5)cc4)CCC3)ccc2[nH]1 1788650065 UKKXALIMLJRRKL-VAWYXSNFSA-N 483.593 5.725 30 20 JKED O=C(/C=C/c1cc2ccccc2o1)Nc1ccc(C2(NC(=O)/C=N/N3CCCCC3)CCC2)cc1 1789116843 QIOQTALRIZSUJD-CVWXOJMRSA-N 470.573 5.052 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]c4ccoc4c3-c3ccccc3)[C@H]2C1 1789148737 UOURGQPTCHIZGN-FUDKSRODSA-N 489.616 5.014 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)cc2)CCC1 1789214248 GVEYRGCZGQWOKX-OYDLWJJNSA-N 495.664 5.392 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)cc2)CCC1 1789231435 HNLXSNGNUYAXPY-UHFFFAOYSA-N 459.443 5.405 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)CCc5ccc(C#N)cc5)CCC4)cc3)cc2c1 1789238356 SSPFRLHZPHUVMZ-UHFFFAOYSA-N 493.563 5.694 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCN(C)C(=O)OC(C)(C)C)CCC2)cc1 1789455154 MKXZGKCIWZOISP-HSZRJFAPSA-N 483.653 5.536 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)CCC1)C(F)(F)F 1789783907 DNLJFPYNPBNJPD-UHFFFAOYSA-N 455.436 5.208 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1 1790188012 NKIOFNOMGQGOFX-UHFFFAOYSA-N 465.550 5.178 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CCC1 1790249453 JROVOHKNVMOJHY-MRXNPFEDSA-N 461.484 5.254 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C(F)(F)F)CCC3)cc2)cc1 1790706219 OXNLKXXWMYANHS-UHFFFAOYSA-N 484.503 5.289 30 20 JKED CCn1nc(C(C)C)cc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707354 IWATXEAGZHZDHN-UHFFFAOYSA-N 469.589 5.154 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1 1791106587 DWQZEAKBCBUNLO-UHFFFAOYSA-N 489.522 5.520 30 20 JKED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(CCCC)cc4)cc3)C[C@@H]21 1791270733 UNJDKLATRPHDOX-AWCRTANDSA-N 486.656 5.093 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)CCC2)cc1 1791593088 FEAPHFXLLGOVPH-UHFFFAOYSA-N 453.542 5.263 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(ccc4ncccc43)s2)cc1 1799121439 BQSYLVHYNWIYAF-KOUNCHBCSA-N 494.620 5.206 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@](C)(OC)c1cccc2ccccc12 1799855139 AKBIVHFGQBJPJT-CDLOMYRSSA-N 460.618 5.108 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1803087409 ATBLMMHKQMRALH-YLJYHZDGSA-N 478.445 5.538 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)cccc1C(F)(F)F 1803682682 KKFNQAPKGYPJBQ-KQLYMOGASA-N 469.507 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)cc2F)C3)c1 1803683087 YGVIAAXXXPHXGL-RUGDWHBFSA-N 474.363 5.325 30 20 JKED Cc1c(C(=O)N2CCC3(CCCN(C(=O)CCc4cccc(C#N)c4)C3)CC2)oc2ccccc12 1805328128 BGXLRWUOYXBKRT-UHFFFAOYSA-N 469.585 5.091 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)C1 1805454876 IQSUVPSGJIUYRO-UHFFFAOYSA-N 468.041 5.743 30 20 JKED O=C(Cc1ccccc1)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1806518486 SQXDUHZAVACZEJ-XDFJSJKPSA-N 499.614 5.044 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1)[C@H]1CC=CCC1 1808137579 BUFLTYSYWWVZEX-NSGJQZOKSA-N 489.619 5.157 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1808741237 RLAQZESGRFWGGF-IGKIAQTJSA-N 482.628 5.456 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)oc2ccccc12 1809162433 WNFAZVZLESTXBG-NBGIEHNGSA-N 498.970 5.295 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1809212731 YGOCMTMDYBVVNI-NBGIEHNGSA-N 491.035 5.595 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3cnccc23)[C@H]1c1cccnc1 1809920998 LJBHHLVUZJNZPT-RBJSKKJNSA-N 498.703 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1810177847 IFNUFZGJXHKUDW-IXFSTUDKSA-N 490.406 5.616 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cc4sccn4c3)C2)CC1)c1ccccc1 1810497465 BNQGJKUPPXBWDW-DEOSSOPVSA-N 473.642 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810498429 MCXKZXPGCXPIBN-DVECYGJZSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1810503090 NZTNCAICSPKNCV-REWPJTCUSA-N 498.465 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810929539 AZHNYOGMWLYGQX-PGRDOPGGSA-N 491.529 5.552 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1ccccc1 1811907986 RWUMTQMIFKRGHQ-URORMMCBSA-N 486.015 5.252 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1812199917 PGULJOVNFXPHHH-ROKPMTFOSA-N 475.614 5.090 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)Cc3ccc(CCCCC)cc3)[C@@H]2c2cccnc2)C1 1812957801 XYGZQIGSDPHZBB-LSYYVWMOSA-N 459.634 5.029 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c(Cl)c1 1812990069 BZCHKCBKSBEZTB-BKMJKUGQSA-N 499.014 5.048 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2F)[C@@H]1c1cccnc1)c1ccccc1 1813744580 MXWNGJJZHDFUDD-VBOOUTDYSA-N 483.587 5.046 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1813767481 CQMDEFYBKMBNOT-OXJNMPFZSA-N 482.358 5.228 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)n[nH]2)c1 1815536321 UKFHVIMIZMCLOI-NEQMZLFVSA-N 493.489 5.319 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cccnc4s3)n[nH]2)c1 1818575158 IMBKNEGZWGFKSD-IERDGZPVSA-N 484.585 5.266 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)[nH]n1)c1ccccc1 1819518964 JLOSYFFRKHNTQD-UGKGYDQZSA-N 493.970 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(CC)nc3ccc(Cl)cn13)CC2 1819597638 GJYJAEAQBXOMFV-SJORKVTESA-N 498.052 5.001 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Br)c(Cl)cc3C)n[nH]2)C1 1820180599 IMMBWTVZSLFYAH-IBGZPJMESA-N 491.817 5.406 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820223691 PZNYXOJRLNXHDX-FQEVSTJZSA-N 498.370 5.216 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)c1 1820484017 OGRNASHZVNDSIR-RUZDIDTESA-N 490.567 5.272 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c1 1821125731 OUZMKHKZWIZONU-NRFANRHFSA-N 465.916 5.002 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)cc2s1 1821443009 CYRZNZYARYTNHJ-NYHFZMIOSA-N 486.601 5.508 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4c3oc3ccccc34)n[nH]2)cc1 1821611129 HRBLEWRSXGFNOR-XMMPIXPASA-N 489.535 5.800 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2ccc(OC)cc2)n[nH]1 1821746077 FGJFJGDQGTZXDV-HJMGBZSKSA-N 462.594 5.282 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(Cl)cc4)CC3)n[nH]2)c1 1821840464 NJLDQFVKLNJIBX-JOCHJYFZSA-N 491.954 5.112 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 1822287516 NGWSMWDYWGAYQM-HXUWFJFHSA-N 473.404 5.244 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4cccc(Cl)c4)CCCC3)n[nH]2)c1 1822314617 SAVOUXQOTVPYTG-QFIPXVFZSA-N 490.995 5.081 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)cc1C#N 1823135986 WZEOTEJJKMQZDJ-RUZDIDTESA-N 497.599 5.566 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c1 1823216656 YPGBXVQEMLBMJK-NYHFZMIOSA-N 479.943 5.449 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2OC(F)F)n[nH]1 1823264401 PRGMRABZZDZDMX-APWZRJJASA-N 458.509 5.085 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)c1 1823278030 BCHQHJZNEMUBDM-LHSJRXKWSA-N 497.933 5.588 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)ccc2n1 1823684042 WWCMJJGLNAQOIU-GDLZYMKVSA-N 494.639 5.281 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1823685779 HAWUQCJJQGTQJU-HSZRJFAPSA-N 499.989 5.356 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1823701683 BEUOZEIKUOMYGK-VWLOTQADSA-N 487.669 6.096 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3C)CC2)c(C#N)c1 1823911604 DYVBJFDLYQTRBW-AREMUKBSSA-N 494.035 5.005 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3occc3n1-c1ccccc1)CC2 1826424890 FZRADSIUAGFAJP-SFHVURJKSA-N 486.597 5.099 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccsc2)CC1)c1ccc(O)cc1 1827104848 HWXJLXYQMZYLET-AHKZPQOWSA-N 492.685 5.203 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827364826 HDSFAUVSHFITTL-SANMLTNESA-N 466.585 5.049 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)oc2ccccc12 1827682835 OEYIBLLFTCKQQZ-VDZCTEQFSA-N 490.625 5.475 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684756 RHOMNCBKFCBRCU-HRBBJJPOSA-N 496.698 5.071 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1)c1ccc(O)cc1 1828045054 BNGXEPOBHULDKI-SVEHJYQDSA-N 497.639 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828514541 HAGZRLZATGFYRN-RCZVLFRGSA-N 451.586 5.309 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1828850644 VOINAEGGWPOUGV-OREGWCPLSA-N 472.633 5.048 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cn2)CC1)c1ccccc1 1829033424 WYZHBDIVAUIDRO-AOYPEHQESA-N 478.036 5.166 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576931 VMXNJUGXPSDPRU-WIOPSUGQSA-N 495.714 5.637 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C)c3Cl)CC2)c1 1829684464 RCJAEAKBKLQKPY-DEOSSOPVSA-N 480.008 5.076 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829702249 ZICSJUTXTPAYBW-JTSKRJEESA-N 474.001 5.120 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3C)CC2)c(C#N)c1 1830285015 JDHMBXDHEGDFCY-AREMUKBSSA-N 494.035 5.005 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cnc4ccccc4c3)CC2)c1 1830714841 HATMHSUUKYQVFK-NDEPHWFRSA-N 498.602 5.112 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c(Cl)c1 1830722438 ITSHWGWOBCFZPO-DEOSSOPVSA-N 493.032 5.368 30 20 JKED Cc1cscc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830756647 RURBUQLIVWXCOJ-QFIPXVFZSA-N 489.563 5.494 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1831377099 BPYGTWIFVAHGGK-HYBUGGRVSA-N 467.654 5.117 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831449397 ZAYWDVYAIYYNFC-HSZRJFAPSA-N 480.555 6.031 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1831840828 QWZZGFRYPJJHPL-ZHRRBRCNSA-N 489.479 5.154 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCC2)CC1)c1ccc(O)cc1 1831924913 NKFXDGUCDNBPKN-XNMGPUDCSA-N 464.650 5.089 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)C1 1831948125 YIEITBOGMXEGKK-JOCHJYFZSA-N 482.974 5.487 30 20 JKED Cc1cc(C)cc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c1 1832043915 AWVFODXZXCDWEX-MUUNZHRXSA-N 471.645 5.236 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3)CC2)c1 1832633899 GBZHDDLYDCOFKR-AJTFRIOCSA-N 457.618 5.180 30 20 JKED C=C(C(=O)N1CCC(OC2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1)C(F)(F)F 1838757343 SZKYXXWZMGRJJA-UHFFFAOYSA-N 460.581 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(OCc3ccccc3)c(OC)cc2C)C1 1845494680 ZBIQRHSFRVQUFP-DEOSSOPVSA-N 488.628 5.168 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CC2(CCCN2C(=O)c2ccc(F)cc2C(F)(F)F)C1 1846881442 DMKCAAGHESBTHA-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCc1ccc(C(F)(F)F)cc1 1847771100 IBQAVPGVEXSFDR-SFTDATJTSA-N 450.545 5.222 30 20 JKED CC(C)n1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 9826505 QXEINCIAFYCDER-CYBMUJFWSA-N 460.390 5.824 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2C)cc1 11168882 XNQWGLMBCFMHQQ-UHFFFAOYSA-O 451.681 6.915 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1 11250310 CNNWIEHUUYOEGT-UHFFFAOYSA-O 490.388 5.214 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 11272860 TZMBNVHJEQCNGQ-ZDUSSCGKSA-N 469.563 5.335 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2SCc2ccco2)n(Cc2ccco2)c1C 16155877 NSMLRYATAZDMTN-UHFFFAOYSA-N 489.553 5.299 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)n1C 16659076 QKGZGAIFEITHCZ-UHFFFAOYSA-N 478.622 5.017 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 21400078 FXKMQDRROJRAAD-UHFFFAOYSA-N 475.726 5.566 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2CC(C)C)c1 22172104 QBZIBPAARJBVCJ-LJQANCHMSA-N 451.596 5.238 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 22695280 KDJXDHKQNJDQJD-UHFFFAOYSA-O 450.436 6.264 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 22727112 UXIFHLPMXBSIIM-UHFFFAOYSA-O 473.568 6.202 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccccc1Br)[n+]1cccc(O)c1 22728145 GUBSIIJCYRWNMC-UHFFFAOYSA-O 476.803 5.455 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 22733048 QWJJFFRMJLARDY-UHFFFAOYSA-O 494.414 6.908 30 20 JKED CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 26195381 SICIAPIGOTYYSP-GOSISDBHSA-N 450.564 5.180 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)nnc1-c1cccc(C)c1 32857150 KCUFKRYWWGJMCR-HXUWFJFHSA-N 473.558 5.096 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccco1 45643358 VEIRWDLBOFQLSZ-NSHDSACASA-N 456.877 5.516 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cc(Br)ccc1I 78668573 REIUPEVCXQTDCZ-UHFFFAOYSA-N 487.160 5.312 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 105513246 PWLYPWBLYUVEDR-UHFFFAOYSA-N 451.866 5.551 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccnc(OCC(F)(F)F)c1 303234275 YSKPJMGTPTWJAN-UHFFFAOYSA-N 470.451 5.104 30 20 JKED Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nnn1-c1ccc(-c2ccccc2)cc1 303363422 QMQMUMWPULMQET-SFHVURJKSA-N 453.571 5.889 30 20 JKED C=CCSc1nnc(-c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)n1Cc1ccccc1 409585766 GVKRYLBPGNHJMG-UHFFFAOYSA-N 492.626 5.081 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(c3cccc4ccccc34)CC2)cc1 476382538 SXKCZNADQUIXEN-UHFFFAOYSA-N 463.603 5.058 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 479341355 FEPQKJBDYVTDEC-GDLZYMKVSA-N 486.575 5.192 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc2F)c1 481691178 VXGWMVIQINFOHF-XMMPIXPASA-N 467.447 5.160 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cc(-c3ccco3)nc21 481931581 NNCZIAGIFJKWCZ-UHFFFAOYSA-N 469.423 5.337 30 20 JKED C=CCN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482250078 XMMPIBKUPPGLFS-UHFFFAOYSA-N 492.538 5.403 30 20 JKED C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nnc1-c1ccccc1F 486258643 CZSVSSHGHHORJU-UHFFFAOYSA-N 474.521 5.576 30 20 JKED COc1ccc(-c2nc(CC(=O)N(Cc3ccco3)c3ccccc3C#N)cs2)cc1OC 501019106 HFFNIIIHARADNC-UHFFFAOYSA-N 459.527 5.068 30 20 JKED Cc1cccc(NC(=O)CSCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 501150296 SGRWXDCSDBKWLD-UHFFFAOYSA-N 461.562 5.219 30 20 JKED Cc1c(Cl)cccc1Nc1nnc(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)s1 506672343 BHJAGGGNAFNFPF-UHFFFAOYSA-N 481.994 5.032 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2)cc1 509890450 LUJCFYBHYFDOSV-UHFFFAOYSA-N 468.557 5.214 30 20 JKED CN(Cc1ccc(Br)o1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509906395 YDYUMZKJVGAIFT-UHFFFAOYSA-N 454.324 5.351 30 20 JKED N#Cc1c(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)sc2c1-c1ccccc1CC2 511084514 CNRCBVHOWCNJJN-DEOSSOPVSA-N 491.572 5.580 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)c1 511465577 XAOPYTVAUAWBQJ-UHFFFAOYSA-N 464.529 5.098 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)nc2ccccc21 513659507 GAGIEMRGVPGFAO-KRWDZBQOSA-N 459.893 5.237 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)c1C(F)(F)F 513677032 PFGMCWQKTUGBBM-HNNXBMFYSA-N 484.459 5.168 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 513723431 VCWBJBNXJJKCPQ-UHFFFAOYSA-N 488.521 5.178 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1nc(O)c2c(-c3ccco3)csc2n1 514708835 HYHNQDLSWGKTMS-MRXNPFEDSA-N 496.662 5.316 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 515666510 PWNXOWTXAMTIDV-LJQANCHMSA-N 461.389 5.069 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 517444526 UHMQSGDIMLKLPQ-UHFFFAOYSA-N 465.351 5.382 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccc(OC(F)F)cc1 517502452 UMCCJMWXLLRCGD-CQSZACIVSA-N 487.438 5.069 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 518128546 XRSMPNHRBUMJKU-KRWDZBQOSA-N 463.632 5.186 30 20 JKED C=CCN(C(=O)c1ccc(OC2CCCC2)c(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 518173627 NZKNBQWEOKRFSK-UHFFFAOYSA-N 479.558 5.881 30 20 JKED CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 518751229 KZBCDIOUUOKCKC-GOSISDBHSA-N 463.603 5.767 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)CC1(CC(=O)Nc2cc(C#N)ccc2OCC)CCCCC1 520637788 HIECMZJQRRKINV-UHFFFAOYSA-N 488.588 5.535 30 20 JKED C=CCN(Cc1csc(Cc2ccc(Cl)cc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 520939395 URWYRYBVJBYLHG-KRWDZBQOSA-N 450.999 5.112 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 520940454 RXMNPTMBCGGAGU-WMZOPIPTSA-N 465.554 5.681 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1)c1ccc(C#N)cc1 521255799 NEYIGHRCONDPDG-AWEZNQCLSA-N 454.313 5.473 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](c3ccccc3)C3CCCC3)c2)c1 521518197 GFODQBGJWUHVBK-SANMLTNESA-N 453.542 5.123 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2Cl)c1 524386665 OMDWBJUDSWRFLJ-UHFFFAOYSA-N 479.360 5.766 30 20 JKED C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1-c1ccc(Br)cc1 553203007 UMJCQEPDRGNHGF-UHFFFAOYSA-N 474.334 5.926 30 20 JKED CCCN(CC(=O)Nc1c(Br)cc(C)cc1Br)Cc1ccc(C#N)cc1 559186937 HWLVHGOCIGECPL-UHFFFAOYSA-N 479.216 5.242 30 20 JKED COc1ccc(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 588196117 ALLHZBLHXUNKSF-GHMZBOCLSA-N 466.344 5.423 30 20 JKED C=CCn1c(SC[C@H](O)COCc2ccco2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 588661028 BXYYPTVVRBYKBK-GOSISDBHSA-N 486.590 5.021 30 20 JKED CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cc1 594690010 MYTMJBNYTHVSTH-KRWDZBQOSA-N 493.610 5.194 30 20 JKED C=CCN(C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603636837 LVXDFLAFQISUDX-UHFFFAOYSA-N 475.530 5.310 30 20 JKED Cc1nc(COc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2)no1 603759105 UJISOQFWOFMAAF-QFIPXVFZSA-N 458.905 5.518 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1 603997737 JARSNUNONAEJBN-HXUWFJFHSA-N 450.926 5.040 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078113 BZDVQQKSEAVXID-UHFFFAOYSA-N 456.502 5.574 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 609118051 SOQJSGKQBRAHMA-UHFFFAOYSA-N 493.991 5.241 30 20 JKED N#CCn1c(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc2ccccc21 609215945 UOERHVZTZVXQEL-UHFFFAOYSA-N 462.578 6.178 30 20 JKED CC(C)(C)c1csc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 609256315 UWBFFLUNTWVDBK-GOSISDBHSA-N 466.994 5.004 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 609377211 RFHOVNBHKUYIHV-IAGOWNOFSA-N 462.662 5.241 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(Br)c1 609379152 WIXOLWMCTOBOEH-UHFFFAOYSA-N 465.316 5.274 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(OCc4ccccc4)cc3)cc2)c1 609435973 DAHGBSHZONTTOG-UHFFFAOYSA-N 477.520 5.184 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc2ccccc2n1 613292749 VMSSYGFUDPKKRM-NRFANRHFSA-N 470.326 5.740 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CCS2)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281411 DYYBFRBRINCSAA-AWEZNQCLSA-N 474.394 6.041 30 20 JKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c3c(C)noc3n2)c(C)o1 642282323 CWZNKMAXHLOPBE-MRXNPFEDSA-N 461.428 5.643 30 20 JKED O=C(Nc1ccc(OCC(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642470279 JILGCDJSSLVSNF-IAZYJMLFSA-N 452.317 5.659 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccoc1C 645079434 FNNTZQUSAYOQKS-JOCHJYFZSA-N 460.559 5.513 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 726321828 NOYSPACWZWATJH-IBGZPJMESA-N 452.967 5.414 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1F 726409838 CXPKDKGHEYZYHU-QRQCRPRQSA-N 496.539 5.090 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\[C@H](C)c1cccs1 726419613 GDBMFTWTGDWEAI-FXZMXQRYSA-N 456.420 5.465 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)[n+]2cc(O)ccc2C)c1 726572574 CBFJNIBGYHAOAR-UHFFFAOYSA-O 479.581 6.085 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(C(CC)CC)cc2)c1 726573847 SQIXXVGHUNOTLE-UHFFFAOYSA-O 496.483 7.489 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)o1 727762104 GZWIDCDSPNQPJD-RUZDIDTESA-N 452.510 5.649 30 20 JKED CCN(Cc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)OC(C)(C)C 728023882 JGQOJWXHMPYCHO-UHFFFAOYSA-N 475.545 5.740 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 728422813 GXOBNNNHVBVMPK-DVECYGJZSA-N 483.597 5.292 30 20 JKED Cc1ccc(-c2csc3nc(/C(Cl)=C/c4ccc(O[C@H](C)C#N)cc4)nc(O)c23)s1 728699638 GYFFVRPSIKJKDJ-AXIYWZQUSA-N 453.976 6.462 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 729068086 URBUCEDXVQWGDR-HNNXBMFYSA-N 480.355 5.693 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/[C@@H](C)c1cccs1 729146635 VFRAQZHKCRRFGT-LWUIDBOUSA-N 470.645 5.103 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)cs1 729151103 PAHDHVFURAZDOG-WQLSENKSSA-N 463.773 6.610 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 729375585 MBUMGWQJUXNLFH-HRAATJIYSA-N 471.513 5.215 30 20 JKED Cc1nc(SCC(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c(C#N)c(C)c1C 729413121 PFOSPVGTGHBLJG-UHFFFAOYSA-N 466.607 5.297 30 20 JKED CCCOc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1OC 730583084 BLWUCTPNTQQSLE-UHFFFAOYSA-N 467.378 5.132 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)nc2ccccc21 730685496 JFXYIZNHNADPDU-GAJHUEQPSA-N 450.325 5.877 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O)Nc1ccc(SC(F)F)cc1 730714792 XFJQWRUYFCQTNL-GOSISDBHSA-N 488.541 5.150 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cocn2)C1=O)Nc1ccccc1 730726317 DKHHQWFOWPPWAF-DEOSSOPVSA-N 482.565 5.502 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cocn2)C1=O)Nc1ccc(F)c(Cl)c1 730728245 ZTULNYQOCCFIJH-NRFANRHFSA-N 498.967 5.116 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 730900126 VFKQFVDKMXAJNT-LJQANCHMSA-N 450.539 5.180 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 731040285 PXUCBMSQDUOQMU-DLBZAZTESA-N 469.566 5.153 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 731059833 BPKWQFAXIJGARF-SECBINFHSA-N 493.199 5.742 30 20 JKED Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C 731063235 KVWWXJKTKCRIQQ-AWEZNQCLSA-N 487.647 5.397 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(F)c2)cc1 731309946 YCXFXUIIMUZITB-HSZRJFAPSA-N 493.560 5.091 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1ccccn1 731310939 SVQBIRJULDVAER-OPAMFIHVSA-N 495.004 5.471 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2)c1 731331548 IUXOHQATLKUNAB-ZROIWOOFSA-N 451.526 5.241 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744935909 IYTCTZHJCBTKDX-INIZCTEOSA-N 472.397 6.203 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2c(F)cccc2Cl)C1=O 745581204 JHPJDIUYZYZNBL-MRXNPFEDSA-N 487.956 5.062 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c1 747601564 VVEMRIAKOFJAOW-JOCHJYFZSA-N 478.643 5.537 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c1 747602016 XVEFDBHAYHKTFU-FQEVSTJZSA-N 482.606 5.102 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CC(F)(F)F)C2=O)cc1 799219601 VBFCSEJLKYFZFF-SFHVURJKSA-N 483.487 5.137 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccccc1F 825103662 XXSAOVXTMXNAJL-GOSISDBHSA-N 465.598 5.380 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837448748 MFJWLCWEVLVJRE-CVDCTZTESA-N 458.587 5.420 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C3CC3)CC2)c1 837640317 NNVKBDBQRLIFST-DEOSSOPVSA-N 494.636 5.030 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)c3ccccn3)C2=O)cc1 838538116 HHIADHMLMIUGLK-KSFYIVLOSA-N 480.540 5.390 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CC(F)(F)F)C1=O 838540423 HLDRGFGDISHVGP-INIZCTEOSA-N 491.869 5.449 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccccc3)C2=O)cc1 838546373 ABINEFKGVUTAGE-HSZRJFAPSA-N 493.535 5.328 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccc(F)c2)C1=O 914773056 WFQDKJWBIPYZBK-JOCHJYFZSA-N 481.524 5.134 30 20 JKED C[C@H](OC(=O)Cc1csc(Cc2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 915452241 VWSUQVJEVJJNCW-INIZCTEOSA-N 479.627 5.049 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(C4SCCS4)cc3)s2)c(C(F)(F)F)c1 915650295 WBINSTOFUWZLAO-UHFFFAOYSA-N 491.585 6.355 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cccc(OCc3ccccc3)c2)cs1)c1ccc(F)cc1F 915989123 YPHCTCMRPXJJAR-ACCUITESSA-N 490.531 6.581 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C[C@H]1CCCO1 916214748 ADKMGNITMOZKEV-DNVCBOLYSA-N 492.428 5.441 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(C3CCCC3)C2=O)c(OC)c1 916216964 ADGKZDCQALUPPV-JOCHJYFZSA-N 481.618 5.224 30 20 JKED Cc1ccc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(Br)c1 916888357 WIBDWCONMHEQTH-SGNXQUTQSA-N 465.319 5.433 30 20 JKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1C 916908972 OSHFLELGVNZOIQ-NRFANRHFSA-N 450.498 5.243 30 20 JKED N#C[C@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2n1C(F)F 917044605 SZJHVLDUQNZXGG-LJQANCHMSA-N 479.870 5.571 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)cc2Cl)cc1 917613117 KZFWTQDJWYUUPC-UHFFFAOYSA-O 497.471 7.379 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc(Br)c1OC(F)F 917645266 WBDMRWWRGRIIBR-NVNXTCNLSA-N 497.342 5.337 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(F)c3)C2=O)c1 917703581 PBLFAPJDWKZXEU-XMMPIXPASA-N 486.572 5.475 30 20 JKED Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc(COc4ccccc4C#N)o3)cs2)cc1 919513036 OPWREQSZWNAOIR-UHFFFAOYSA-N 487.537 5.033 30 20 JKED CCOC(=O)Nc1ccc2c(CNc3ccc(Oc4ccccc4C#N)cc3)cc(=O)oc2c1 920062813 XWDKOTGWZZNCFL-UHFFFAOYSA-N 455.470 5.637 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)n2)cc1 920108912 CDBBAWGVXKKRSA-SJORKVTESA-N 470.381 5.655 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2ccccc2C#N)c1 920109535 QTMSJNCREXKROM-VWLOTQADSA-N 451.526 5.223 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920806614 MPILTPSEAJFCKZ-MRXNPFEDSA-N 495.580 5.563 30 20 JKED COc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1[N+](=O)[O-] 921131588 LZUXYVQLXFDZAK-CQSZACIVSA-N 478.313 5.289 30 20 JKED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCCCCCCCc1ccccc1)C2 1782201773 AJVFIELNDDBTFL-GGXMVOPNSA-N 468.682 5.440 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CCCc4cccnc4)CCC3)cc2)cc1 1785797709 GVKZKUDDRMRAQB-UHFFFAOYSA-N 466.585 5.043 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccnc5c(O)cccc45)CCC3)cc2)c1 1786041574 LDXWPQSTHSBJIZ-UHFFFAOYSA-N 490.563 5.193 30 20 JKED CC(C)(C)OC(=O)NCCCCCCCCC(=O)Nc1ccc(C2(NC(=O)CC#N)CCC2)cc1 1786078743 TXSBEHQPTZNWHF-UHFFFAOYSA-N 484.641 5.290 30 20 JKED CC(C)c1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)co1 1787028536 WHZRSXGXCOONOJ-GOSISDBHSA-N 456.546 5.487 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951249 WPLRZGXFDVRANQ-RMDSEJHCSA-N 455.602 5.302 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cnc4ccccn34)cc2)CCC1)c1ccccc1 1788994685 LQYUWTXGHFJLTK-VWLOTQADSA-N 476.580 5.279 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=C(C)CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1789114838 SCDAABNOLCJAIX-QPPBQGQZSA-N 495.664 5.726 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)CCC1)C(F)(F)F 1789704167 IFNBFXRSSQAAON-UHFFFAOYSA-N 458.267 5.255 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)cc2)CCC1 1790200712 SNVZTPGJDYIZOT-UHFFFAOYSA-N 499.468 5.082 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1790341425 CBOARBWDXDESPP-UHFFFAOYSA-N 473.960 5.211 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)Cc4c[nH]c5ccccc45)CCC3)cc2)ccc1F 1790521200 QVXPKLDGRYRHHV-UHFFFAOYSA-N 480.543 5.098 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccc(Cl)cc3)CCC2)cc1 1790563721 KHJQVRKJIBYWSD-MSOLQXFVSA-N 455.986 5.379 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C)nc4C)CCC3)cc2)c1 1790795347 BQNTUODLHHAUSC-UHFFFAOYSA-N 466.585 5.259 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)cc2s1 1790879102 KGYSSHIPHMMRHZ-UHFFFAOYSA-N 468.582 5.665 30 20 JKED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCCCCCCc3ccccc3)C[C@@H]21)C(F)(F)F 1790884858 VDHVISJKUFPVKB-HJOGWXRNSA-N 494.598 5.058 30 20 JKED COc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1C 1791476974 GMQOULVLQRNSNK-UHFFFAOYSA-N 467.569 5.060 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccccc4)cc3)CCC2)c1 1791531957 AOPHWTLEXNTUSR-FTJBHMTQSA-N 465.553 5.118 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccccc3Br)cc2)CCC1 1791684591 UVJLVXDFKCOJIZ-MXHVWWQHSA-N 498.421 5.397 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc(Br)s4)cc3)CCC2)c1 1791833659 DZUYFDGYNWMFGH-VQHVLOKHSA-N 495.402 5.171 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4cccnc4)CCC3)cc2)c1 1792126336 FCXDDIHRYOYIEI-NRFANRHFSA-N 466.585 5.479 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)c1 1792147791 BZCLJOZHEVTORV-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1802295975 NDKDLZLRRIFPAD-FZDIXFNVSA-N 468.585 5.323 30 20 JKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)c(F)c1CSc1ccccc1)C2 1802307080 FFWZGXSUJVUOFE-ACDBMABISA-N 482.596 5.312 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1802580102 HTRPCRKJSJPAGD-LSYYVWMOSA-N 474.649 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1802742232 KHYBEQCEIFCNKQ-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)[C@@H]1c1cccnc1 1803087854 WTMHSNMOCRALPO-UFHPHHKVSA-N 498.602 5.371 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc[nH]c4cc2Cl)C3)cc1C#N 1803839331 OYDCZJOSGQKNFG-WKCHPHFGSA-N 490.991 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCc3cnccc3C(F)(F)F)CC2)C1 1804860095 ZCXHRYUWUYGBJA-UHFFFAOYSA-N 479.587 5.257 30 20 JKED Cc1c(C(=O)N2CCC3(CCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)CC2)oc2ccccc12 1805333247 LKGYLZBRIHUMHO-UHFFFAOYSA-N 474.988 5.291 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H](F)c3ccccc3)C2)CC1)c1ccccc1 1806519799 GRDJSGIIHWNPED-FTJBHMTQSA-N 460.593 5.126 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1808159429 KZUIIIIGJBHSMF-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1810173509 PCLDPKVYZCRSQT-XFAFFCHDSA-N 468.601 5.026 30 20 JKED C=CCSCC(=O)N1CCC2(CCCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)C2)CC1 1810302721 CJWASZILFOWRPF-UHFFFAOYSA-N 498.689 5.404 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cccc2Cl)[C@@H]1c1cccnc1 1810505076 MEPLOMFHCAJFIY-XMSQKQJNSA-N 457.977 5.186 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CC[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@@H]2c2cccnc2)cc1 1811938029 XBHSJWZPWHWGDO-JOFKXORYSA-N 496.636 5.196 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1812669564 FHKRPPCGMHMXOY-CVDCTZTESA-N 498.961 5.123 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[C@H](C(C)C)CC3)[C@@H]2c2cccnc2)c1 1812792883 HPDVATSRQOBCJZ-QNWDWTFCSA-N 472.633 5.044 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1813046111 OKXPAQJVFFGIMK-MKWBEGTNSA-N 471.645 5.337 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2ccccc2)[nH]n1 1814823714 FDCABVTVCORSFJ-GCJKJVERSA-N 452.624 5.351 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)[nH]n1 1814828812 JSJPGHJVAQDALY-PGRDOPGGSA-N 452.521 5.088 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1)c1ccco1 1816339730 XUBAWFHACSVYKX-XMMPIXPASA-N 464.525 5.022 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)c1ccc(-c2ccc(Cl)cc2)o1 1818163797 GSCMNDSMVUWJQT-HXUWFJFHSA-N 462.937 5.042 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3[nH]2)n[nH]1 1818987024 YTIHTHHLLWVHDG-QFIPXVFZSA-N 467.520 5.244 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4cccc(Cl)c34)n[nH]2)cc1 1819224763 OENNNMAFAABSMP-NRFANRHFSA-N 472.936 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1819552323 KEUADXABHFNSNL-LJQANCHMSA-N 487.988 5.199 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)c1 1820508209 ZLKGLEPCWXYACB-FQEVSTJZSA-N 468.344 5.208 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1cc(F)cc(C(F)(F)F)c1 1821081471 IVVPICFVTAHNAI-MRXNPFEDSA-N 494.411 5.606 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821179163 OXYKFQGVPFKLLN-QFIPXVFZSA-N 461.953 5.057 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)cc1 1821180072 UANVSQLOBLYUNP-NRFANRHFSA-N 481.478 5.114 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2C)n[nH]1 1821336966 SKTFOBJLYVOWAX-HXUWFJFHSA-N 479.408 5.314 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)[nH]n1 1821983778 KHOWBZOIMIPBHO-FQEVSTJZSA-N 456.537 5.125 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1821986405 NYNWZZVVAAVUCZ-HXUWFJFHSA-N 487.938 5.437 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)[nH]n1 1822580876 BPMDJGDELXDUAK-IBGZPJMESA-N 478.927 5.164 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@@H](C)Oc3ccccc3)[nH]n2)c1 1823217407 RTSUCNQCJQJKFR-FHAGJXEFSA-N 485.588 5.200 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c1 1823218125 YHYUNKROZIUPOJ-OYHNWAKOSA-N 479.943 5.449 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1 1823290660 YYCUKTYOPVOBNS-FQEVSTJZSA-N 460.500 5.236 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)CC1 1824042210 HYTAHSNAPWHZRO-MUUNZHRXSA-N 473.661 5.556 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c1 1824054444 UPDOKIYRHNHDNF-AREMUKBSSA-N 486.641 5.034 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 1824142519 VQSNOBWPRPFPBS-MHZLTWQESA-N 459.634 5.545 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccs2)CC1)c1ccc(O)cc1 1825315379 LWHMTKZBXFRISA-RPLLCQBOSA-N 492.685 5.203 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c[nH]1 1825440243 ZUXTYQFJERUQRM-JOCHJYFZSA-N 481.040 5.384 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1 1827328421 HUBOHKDVHLBVNM-OAQYLSRUSA-N 490.570 5.198 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1 1827775237 SFTAMJZWVWVZHL-SBUREZEXSA-N 486.538 5.208 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828162826 BYJWVGHVZMUAHS-FQEVSTJZSA-N 475.029 5.294 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828828874 UBNVGWBAKVXKAO-HYBUGGRVSA-N 468.041 5.823 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829521504 XGSHFYQGDFQNRZ-HHHXNRCGSA-N 457.618 5.176 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576930 VMXNJUGXPSDPRU-RDGATRHJSA-N 495.714 5.637 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)c1 1829901610 CTKFKZMUGJEFOD-QFIPXVFZSA-N 470.400 5.412 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1829959744 ZXDCPLGVZWXVHX-QHCPKHFHSA-N 469.507 5.124 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1830128251 VYYNKWLAMKYNMS-JOCHJYFZSA-N 476.702 5.357 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)c1 1830356895 SPEORKBADRXIQM-DTCUCFNRSA-N 461.650 5.683 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(NC(C)=O)c2)CC1 1830687795 GLFRJHNFXDYOMP-RUZDIDTESA-N 467.654 5.179 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1830738560 UKMITFWTIJKBGO-IERDGZPVSA-N 461.990 5.002 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3ccc(Br)cc23)CC1 1830827805 WREYNQQAGYTMRJ-KOSHJBKYSA-N 498.465 5.443 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830878258 JOJZMQRZCPOXSF-QFIPXVFZSA-N 475.967 5.333 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc(Br)cnc23)CC1 1830999582 VAKAFUQMOAOENH-MBSDFSHPSA-N 498.465 5.443 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1831226372 VAPUQEJYWVKHFD-VWNXMTODSA-N 455.042 5.183 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1832025957 GWYZHHADKOYMPD-SANMLTNESA-N 460.618 5.032 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832730923 BXCUILHACKAUDK-CYFREDJKSA-N 456.602 5.060 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)CC1 1836744962 PONGAZWFIVJXCH-RRPNLBNLSA-N 466.666 5.193 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CCCc2ccc(C(F)(F)F)cc2)C3)c1 1846825657 KAQZMFSUOPZBDA-LJQANCHMSA-N 483.534 5.172 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)c3cnn(C(C)C)c3n2)c(C)o1 10955360 AOAZWUFPAUQEIX-HXUWFJFHSA-N 499.571 5.381 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)c1 11261638 LVTNHFPIBXQCNT-UHFFFAOYSA-O 493.652 6.113 30 20 JKED CCCOc1c(Cl)cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OCC 14621415 NFXSLXHAYIBPJH-UHFFFAOYSA-N 489.022 5.795 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1cccnc1 18404766 CUMYBGMMRWPJDR-UHFFFAOYSA-N 454.770 5.217 30 20 JKED C=CCOc1ccc(/C=C(\Cl)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1OC 21191034 DMXIHHAGHLIKCB-GDNBJRDFSA-N 456.976 6.023 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)nnc1-c1ccc(Cl)cc1Cl 22183478 JSVYKILKBXRELE-GXTWGEPZSA-N 493.382 5.767 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)cc1 30057687 VWNQCNFZZAKCTH-UHFFFAOYSA-N 461.521 6.129 30 20 JKED COc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3-c3ccc(C#N)cc3)co2)cc1 31789807 CQKCQUOTLRBZDR-UHFFFAOYSA-N 466.522 5.213 30 20 JKED C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)c1 57613951 QYOMJQBDVWMLPC-UHFFFAOYSA-N 478.614 5.129 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cs2)cc1OC 68734834 AGTBOVXGADUEAL-UHFFFAOYSA-N 499.592 5.654 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)ccc1OCC(=O)Nc1ccccc1Cl 96991423 JLRWTGKOMYKPRL-QPEQYQDCSA-N 487.943 5.448 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](Oc1ccccc1Br)C(C)C 117244308 FDEJPCYOUDAEJB-JOCHJYFZSA-N 480.362 5.859 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccnc2Oc2cccc(Br)c2)c1 117534757 RTXSWEYWHYFLRI-UHFFFAOYSA-N 452.308 5.571 30 20 JKED C[C@H](CC(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(C(F)(F)F)cc1 195652761 AZVSFYOQOZJQHK-WBMJQRKESA-N 459.493 5.252 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OCC 195664219 OBJOPIWVRIZMAU-AWEZNQCLSA-N 493.810 5.929 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(Br)cc1 255941477 OBMOSDITVYWSTK-KRWDZBQOSA-N 499.478 6.445 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC3CCN(Cc4ccccc4)CC3)cc2F)c1 477822744 KKMJVLCQQKQBIJ-UHFFFAOYSA-N 458.537 5.062 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481661605 SYFQCAOBDGRDSQ-DEOSSOPVSA-N 489.547 5.498 30 20 JKED Cc1[nH]c2ccccc2c1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487348463 BORKYAYWCIJUHY-UHFFFAOYSA-N 454.477 5.595 30 20 JKED CSc1nc(C)c(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)n1 487439561 AEKWMZYHDZWYQC-UHFFFAOYSA-N 491.564 5.324 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 499837765 ADTZZUMTNGGDEG-JOCHJYFZSA-N 453.311 5.239 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 501551037 MJXKFJJHCJZYON-HZPDHXFCSA-N 456.999 5.151 30 20 JKED CC(C)NS(=O)(=O)c1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 502502480 PPJIDHAEUYZZJC-HSZRJFAPSA-N 497.020 5.004 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2nc3c(C)c(C)ccc3s2)nnc1C1CC1 503737998 KXVHTCSPHZTHCO-UHFFFAOYSA-N 489.670 5.894 30 20 JKED CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)[C@@H](C)c1ccc(C#N)cc1 509576212 UKGWYBJYBWBTTQ-IBGZPJMESA-N 451.526 5.199 30 20 JKED CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510056989 OZXYWZHOFDWQAW-HSZRJFAPSA-N 467.013 5.498 30 20 JKED Cn1c([C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccccc2)nc2ccccc21 510668952 JVJGZFQEFAVQEH-DEOSSOPVSA-N 478.581 5.403 30 20 JKED CC1CCN([C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2cccs2)CC1 511302786 DMUFYWBDLHNCLI-AREMUKBSSA-N 488.657 5.988 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2ccc(C(F)(F)F)cc2)cc1 511339056 IGKCEGBLMAWAKC-UHFFFAOYSA-N 469.463 5.551 30 20 JKED COc1ccc([C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N2CCCCC2)cc1 514638190 ARIJMFIKHHKLGC-HHHXNRCGSA-N 485.653 5.816 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 515540311 MRLFZFKRMONXCG-NSHDSACASA-N 464.831 5.783 30 20 JKED C=CCN(C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)c1nc2c(s1)CCCC2 516074231 NTUDWMKXKQNYEE-UHFFFAOYSA-N 490.654 5.378 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nnc(SCc3cccs3)s2)c1 517877911 JZWGUWRFAZAXAY-UHFFFAOYSA-N 454.558 5.188 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1Cl 518472854 CMQZJUCRDYAHPS-HSZRJFAPSA-N 474.923 6.154 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 518668832 OTYMFRLSKFJGJZ-UHFFFAOYSA-N 487.478 6.355 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)n1 519944330 OHWOZEYAGNSDFC-AWEZNQCLSA-N 461.326 5.909 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 521797308 NSDQYMOOQQTFHL-SCLBCKFNSA-N 491.400 5.231 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1Cl 522486910 ZRXBSMFVZFRLAM-TXTKFYIRSA-N 497.904 5.625 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 522493030 KXSJLFHNPQHLPZ-INIZCTEOSA-N 497.473 5.536 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C2CC2)cc1 523967004 SMTMCABIIVLOSU-VWLOTQADSA-N 468.557 5.150 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccnc(N2CCCCC2)c1 524438673 QJYBVGNMMTWPJL-UHFFFAOYSA-N 455.562 5.153 30 20 JKED O=C(c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)N(CC(F)(F)F)C1CC1 589327179 ZXYCSFROEQZRRJ-UHFFFAOYSA-N 485.350 5.566 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccc3ccccc3c2)o1 603726368 DCWNTSIBNKALMU-KRWDZBQOSA-N 458.543 5.326 30 20 JKED Cc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1[N+](=O)[O-] 603952453 XDQVYSUNGBCTSD-UHFFFAOYSA-N 460.471 5.323 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2)cc1 604456722 OUSSJUSNEGVKDU-UHFFFAOYSA-N 457.493 5.851 30 20 JKED CCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604506946 CXNSHBMDCKTSBD-QFIPXVFZSA-N 463.940 5.512 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 608796056 CKVFNWJUQNLZTE-INIZCTEOSA-N 497.473 5.536 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 608928600 VEECYXCKEBUPTN-UHFFFAOYSA-N 451.495 5.042 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)cc2F)c1 609104614 JDPHLHGXBIMSOP-UHFFFAOYSA-N 481.409 5.128 30 20 JKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 609141536 VWFUZLNRPFVYBM-HSZRJFAPSA-N 478.474 5.437 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc(-c2cccnc2)no1 609207066 GJTFKBQEFOANSU-QFIPXVFZSA-N 488.935 5.968 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 609436504 NSOLWAHMFCRZLA-KRWDZBQOSA-N 477.552 5.970 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 613407486 UXYXQIYJFWJRSJ-HNAYVOBHSA-N 488.034 5.311 30 20 JKED C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 616337456 UANDFVRKBHKIKO-LLVKDONJSA-N 455.326 5.114 30 20 JKED O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618466463 HSVNZOCPFWHZOS-QKLQHJQFSA-N 497.426 5.494 30 20 JKED Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n(-c2cccc(C(F)(F)F)c2)n1 618540055 OXUKBEPWZZIFRL-CHWSQXEVSA-N 488.354 5.794 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 622453233 BCDAISCLNQTTPR-NSHDSACASA-N 492.420 5.525 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](c2ccccc2)C(C)C)cn1 726116271 CDSCMXNHPIEPOM-ISKFKSNPSA-N 475.618 5.261 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)CCc2ccco2)cn1 726116970 OUIRECSIHFBHOL-AUSIDOKSSA-N 493.633 5.094 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)c1 726398807 VFHMJWBNTIGQOR-OAQYLSRUSA-N 499.976 5.111 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 728466591 WMXSBXVHMKDDKT-OAQYLSRUSA-N 471.611 5.728 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729579254 HCRYUPBWYPWPJT-UHFFFAOYSA-N 462.594 5.936 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ccccn1 730525418 PTZCFNKOZGFWFV-XMMPIXPASA-N 472.614 5.421 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730945305 PTNHCXXXCFPRGY-CYFREDJKSA-N 490.604 5.867 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 731075914 OMNJHESCQDZSJL-HNNXBMFYSA-N 488.491 5.081 30 20 JKED N#CCOc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 731157521 FNCQLRXYRDTMID-UHFFFAOYSA-N 478.375 5.286 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)o1 731307419 RWFXMZDMSHCRDE-VZPUWSDOSA-N 475.570 5.269 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C)s1 731310614 LREGZJJXUGMQHG-OAQYLSRUSA-N 465.600 5.231 30 20 JKED COc1ccc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1OCc1ccc([N+](=O)[O-])cc1 745626748 QPLNAJBEORCCQT-XFFZJAGNSA-N 474.469 5.035 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cc4ccccc4[nH]3)C2=O)c1 746694986 ARDUDWAGIKJNHS-DEOSSOPVSA-N 484.581 5.337 30 20 JKED COc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1OCCCC#N 747361689 WJPRNUWMLOUHIV-QJOMJCCJSA-N 452.510 5.414 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCc2nccs2)C1=O)Nc1ccc(F)cc1 747598284 AODRRMAXBSGDGF-SFHVURJKSA-N 488.997 5.139 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cscn3)C2=O)c1 747601362 GLJJNRCZEQVFSE-QHCPKHFHSA-N 492.670 6.044 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1 751143568 YBFYEBBCEVFFKD-UHFFFAOYSA-N 492.622 6.245 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc(Cl)c(Cl)c1 837530237 VOKBMOVFUIWURL-FQEVSTJZSA-N 485.396 5.549 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccc3F)C2=O)cc1 837744491 KIRPFDGXLLHZKE-QHCPKHFHSA-N 493.535 5.328 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)c2ccccn2)C1=O 837744671 SUEGDNKJHOJBLE-OPAMFIHVSA-N 496.995 5.904 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837782502 ANASSTWFDDKWLZ-HTAPYJJXSA-N 479.005 5.765 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 838543623 WUBPEUVKIGAOEN-YCRPNKLZSA-N 466.513 5.081 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccco2)C1=O 838586523 GNAFCMFFIQGMOX-JOCHJYFZSA-N 499.539 5.507 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914692434 XYBSUVZABPWURV-ZHRRBRCNSA-N 463.628 5.133 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915103858 GZPIQVITUVOWDB-AIADIJKESA-N 483.515 5.443 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1Cl 915656146 FWKJMXWINDQDCN-QHCPKHFHSA-N 490.968 5.815 30 20 JKED CCOC(=O)Cc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 915988493 XVODCOYUALEONW-PKNBQFBNSA-N 470.497 5.108 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=S)Nc2ccccc2C#N)c1C(=O)N1CCCCC1 915997902 RZWOGHPBECTEBC-UHFFFAOYSA-N 460.628 6.030 30 20 JKED O=C(O)COc1cccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c1 916157106 NWMQRQKLXSVAQH-YPKPFQOOSA-N 492.487 5.005 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(C[C@@H]2CCCO2)C1=O 916207255 DMYQYGRLWXLWHW-GBXCKJPGSA-N 495.645 5.232 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916210138 BFNVJOYMPUCGIQ-LJQANCHMSA-N 479.524 5.092 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccc(F)cc2)cc1 916214927 RKEDPIZDGGYNTL-QHCPKHFHSA-N 495.551 5.176 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccco3)C2=O)c1 916217862 XQFHNBURADFXGQ-HSZRJFAPSA-N 493.585 5.074 30 20 JKED N#C[C@@H](C(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1 916904439 CYHMZVNNCMBMNT-FQEVSTJZSA-N 450.947 5.713 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c12 916917603 DUHHIECDUPQBEJ-OAQYLSRUSA-N 467.573 5.733 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc(Cl)c1OCCC(C)C 916936990 ZIFOQVJULWRZID-OAHLLOKOSA-N 467.324 5.527 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 916955221 NILNPQWWGZMNBG-HRAATJIYSA-N 477.586 5.231 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3cscn3)c(OC)c2)cc1 916955511 RDFLGCMDNDKOEF-KKSFZXQISA-N 463.559 5.205 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)Nc1ccc2c(c1)OCCO2 916964182 BSAHWEDFOUSGEO-IWHGQQBYSA-N 464.930 5.200 30 20 JKED N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1nc2ccccc2n1C(F)F 917039841 FJNFXFXXUKZWNA-INIZCTEOSA-N 460.509 6.301 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042872 HMPUEVGUAJHEKB-INIZCTEOSA-N 461.465 5.198 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1=S 917484577 AZKRHVLQKFIPKW-JOCHJYFZSA-N 489.645 5.396 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2nc(C(F)(F)F)nc3ccccc23)cs1 917542737 OIICUZFJLKGEQK-UHFFFAOYSA-N 490.898 5.889 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1 918331505 SRKFQLNXVRGAMS-UHFFFAOYSA-N 491.594 5.637 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)c1 918546636 VEPNSGPGJQWTTO-FVDSYPCUSA-N 494.617 5.107 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 918575236 CPCWMIHRMYXHCS-KRWDZBQOSA-N 453.502 5.385 30 20 JKED FC(F)Oc1ccc(-c2nn(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(=S)o2)cc1 918733924 ARTHHSMTDLADAO-PHIMTYICSA-N 477.377 5.494 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2ccccc2-c2ccccc2C#N)cs1 918901818 JWQKZDHCEOIOMZ-UHFFFAOYSA-N 487.968 6.377 30 20 JKED O=C(Nc1ccc(-c2ccccc2)cc1F)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 919662428 KAAVVBDAVWTBEY-GJZGRUSLSA-N 462.365 5.021 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 920168899 PEBPOBLLHBUXBH-DQEYMECFSA-N 498.583 5.654 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccc(F)cc2)cc1 920204179 ALKQDLRPFSEXGW-NSOVKSMOSA-N 493.538 5.334 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3c(C)noc3C)C2=O)c1 920352326 MHXJEDBIJKZOFR-HSZRJFAPSA-N 490.629 5.686 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cc(C)on2)C1=O 920353204 CXRWWJSBESDUNR-QFIPXVFZSA-N 496.564 5.071 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2cccc(Cl)c2)no1 920357548 VHOCJGIITIGZOM-LJQANCHMSA-N 489.384 5.450 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920854266 KTZDVNLDFPYCEH-DEOSSOPVSA-N 476.496 5.280 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 920876521 MGGIMTMYJYTACL-HXUWFJFHSA-N 458.489 5.702 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(Cl)cc(C)nc3c1)C2 1779271609 SAPXNYMHNOVIKV-GOEWEAILSA-N 496.051 5.093 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cn1 1786840818 XQVJXGQMOXVCDN-UHFFFAOYSA-N 496.611 5.429 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncoc5c4)CCC3)cc2)c(O)n1 1787172866 BJGAWAOPMPJLTN-UHFFFAOYSA-N 482.540 5.109 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1787886608 KZBDKRBZPWQFTA-UHFFFAOYSA-N 452.514 5.479 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3sc(Br)nc3C)cc2)CCC1 1788871275 DQMPVQBAEIOOPX-CYBMUJFWSA-N 462.413 5.174 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)nc2ccccn12 1788934591 OYMKHZAJANLJGT-UHFFFAOYSA-N 483.959 5.229 30 20 JKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(F)c(C#N)c5)CCC4)cc3)ccc2s1 1789048460 VUXLFTQQLNZAGR-UHFFFAOYSA-N 498.583 5.606 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CCC2)cc1 1789514057 CLGMOUDFMCEBBX-PJHHIZIYSA-N 464.654 5.199 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789994312 WEBXSURZMULUHH-UHFFFAOYSA-N 480.568 5.764 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1 1790187849 GTPGCLPYFHOPAI-UHFFFAOYSA-N 479.577 5.568 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@H]5SC=C[C@H]54)CCC3)cc2)cc(C(F)(F)F)c1 1790787915 WJZIGFGTRCMXEH-HBMCJLEFSA-N 483.515 5.200 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)cc2)CCC1 1790990168 AJDJULVEHDYSFR-NRFANRHFSA-N 496.533 5.869 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H]3C)CCC2)cc1 1791517609 NLKGLDHXFXCJRQ-YUXAGFNASA-N 469.626 5.026 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)ccc1F 1792101248 JLPVXFHNMSEVAG-UHFFFAOYSA-N 471.532 5.086 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)nn1C(F)F 1792124730 FNJVAFCWBFFGGN-INIZCTEOSA-N 477.515 5.275 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)c(Cl)c3)cc2)CCC1 1792161219 FVBPTSZMQWJWJC-AWEZNQCLSA-N 463.912 5.167 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)F)no4)CCC3)cc2)cc1C#N 1792168798 XOHDJJFYXQSKGM-UHFFFAOYSA-N 494.498 5.333 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1NC(=O)OC(C)(C)C)C2 1792573145 KSPILSOJSAEMEV-ACDBMABISA-N 469.626 5.278 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)C2)c1ccccc1 1798554573 BOMYRHZUASUNJV-KGSLCBSSSA-N 499.438 5.208 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2)c1ccc(O)cc1 1802421217 BVUUNMJNKTXZKY-BXXSPATCSA-N 476.617 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(Cl)s2)[C@H]1c1cccnc1 1802491540 JJYXOEXQXINWEA-GCJKJVERSA-N 460.043 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802832268 TXVVNJBCYSOHRP-MCWSDJLFSA-N 466.025 5.313 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)C1 1806065577 FNRLZOZIXKHBOP-HXUWFJFHSA-N 491.019 5.087 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1810178614 RHKSIMCFLWKYCJ-GWJPWWOOSA-N 473.951 5.101 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(C)cc3)C2)CC1 1810350742 GITFZFPALVVBCY-UHFFFAOYSA-N 467.560 5.113 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@H]1c1cccnc1 1810511056 VHEGUHUZCFZGRS-POURPWNDSA-N 497.614 5.325 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c1 1813836857 BEIOSZSEAGPLIV-CYFREDJKSA-N 493.394 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2)[C@H]1c1cccnc1 1813935887 IZSUQOVVSMRFRA-AZGAKELHSA-N 475.633 5.182 30 20 JKED CCSc1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814354910 LGYYGCOESHWOAA-IBGZPJMESA-N 495.008 5.061 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)[nH]n1 1815209867 ZFRRFECKJUDDLO-QFIPXVFZSA-N 485.028 5.160 30 20 JKED O=C(Cc1ccc(F)cc1C(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1 1815546914 FCYFCJSEMWXARL-MRXNPFEDSA-N 494.411 5.145 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(CC)nc3ccc(Cl)cn23)n[nH]1 1817959354 KKARPFDTFYVOKU-FQEVSTJZSA-N 497.043 5.572 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114185 MJSNROYUDYZDIU-NGRMBUTOSA-N 494.642 5.083 30 20 JKED Cc1cc2cccc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)c2[nH]1 1818366326 STASTTIZINDWTB-FOIQADDNSA-N 483.597 5.100 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccccc4o3)n[nH]2)c1Cl 1818630851 HLSQKSDSHMHVMN-IBGZPJMESA-N 473.920 5.301 30 20 JKED Cc1nc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)ccc2s1 1818702407 AVQAQXBNPTVFIR-MWTRTKDXSA-N 498.612 5.575 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)[nH]n1 1819302092 ZPHQSRTXXIESSU-KSSFIOAISA-N 462.381 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccc(C)cc2)[nH]n1 1819306622 ABTWGPMBFWHXQE-IRLDBZIGSA-N 452.624 5.271 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)Nc2ccccc2)n[nH]1)c1ccccc1 1819327228 JWLHUISEIGQDQN-YMVVMYQSSA-N 483.616 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)[nH]n1 1819552726 YNTQNBCSPSEAJA-PKTZIBPZSA-N 464.610 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)c(F)c(OC)c2F)[nH]n1 1819556157 WROKFCPVFJYQPL-KRWDZBQOSA-N 490.551 5.003 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)[nH]n2)c1Cl 1820218165 TVDFARBBSIQVJA-OAQYLSRUSA-N 497.933 5.152 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)ON=C(C)C)n[nH]1)c1ccccc1 1820968487 TXFQQKJELICJAW-SZGVKKGVSA-N 467.614 5.033 30 20 JKED Cc1cc(F)c(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1821332542 ZIMKLMYTHXPXEU-IBGZPJMESA-N 483.906 5.141 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821427526 YDBAOPFLKVTAHZ-NFBKMPQASA-N 477.996 5.686 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4c3oc3ccccc34)n[nH]2)CCC1 1821611909 NGCVEOQFTODTLD-NRFANRHFSA-N 467.529 5.309 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1821746680 LFZBGRCUIBXWPK-GDNFTRMYSA-N 497.599 5.018 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1)C(F)(F)F 1821861304 SIIZMJXNTXQIJY-QGZVFWFLSA-N 489.325 5.460 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[nH]n1 1821923380 WZIWUZCHNHLTNA-KOSHJBKYSA-N 482.588 5.471 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1821987926 XAPSZDFKEPIRNT-LJQANCHMSA-N 473.911 5.129 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1)C(F)(F)F 1821995515 VHSLFGCRVAHXFI-MRXNPFEDSA-N 474.405 5.161 30 20 JKED Cc1ccc(C)c(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1822051173 PHPJPURZQHTORG-CJFMBICVSA-N 469.589 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c1 1823216012 MZNHKQYXJPDBAA-IQGLISFBSA-N 467.573 5.534 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)n2C)CC1 1824142002 CFGMEEIRSUIIIM-FQEVSTJZSA-N 465.560 5.046 30 20 JKED O=C(c1cccc2c1oc1ccccc12)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824413503 DQZPZMKIHLLZRN-RUZDIDTESA-N 454.570 5.233 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cccc1C(F)(F)F 1824544738 OKPBKTKGUSADFO-LEWJYISDSA-N 470.601 5.202 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1)c1ccccc1 1826668936 BVUICMCQVBLDFE-DHIUTWEWSA-N 462.556 5.146 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1)C(F)(F)F 1827266626 OENQDQDHJRHKAV-QGZVFWFLSA-N 485.959 5.302 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C(C)(C)C#N)CC3)c2c1 1827299897 WVIPUWWNEBLIHH-QHCPKHFHSA-N 493.648 5.423 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc4c3CCCO4)CC2)c1 1827388274 DWUSFYSMPHRWNW-KBMIEXCESA-N 491.657 5.247 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684629 KYFUBEVXXAMCRD-SDQWYYNMSA-N 492.685 5.473 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 1828823081 OMXZDNBWSIXIEA-RTWAWAEBSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3cccn3)cc2Cl)CC1 1828827437 MXKVOACBFPJXLO-ZEQKJWHPSA-N 495.067 5.527 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1828829704 LQGPEAMOUSTMMB-WXFUMESZSA-N 489.701 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)CC1 1828829802 NXWWPJBMYDEQFN-RBRCFPEQSA-N 460.662 5.496 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829453698 RKIWFXXKPXLRGH-PYGAFPFSSA-N 482.433 5.000 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829693214 XGOQSCLNEJZVBX-DEOSSOPVSA-N 481.999 5.135 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 1829775440 KHNJKKKLUBWCNC-NRFANRHFSA-N 492.929 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830446795 ZCNORUDCNYJHLR-NDEPHWFRSA-N 471.645 5.750 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c[nH]c2c1 1830633654 UYPOMQOGCGXASD-CRAHCDMOSA-N 494.639 5.489 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)ccc1Br 1830687318 TUWFQSLLMSCCBP-QHCPKHFHSA-N 498.465 5.134 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830716521 GZALDACCWXQSSQ-AREMUKBSSA-N 491.607 5.422 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CC2)CC1)c1ccc(Cl)cc1 1831307677 HKHBKZBBJFEIKX-XZOQPEGZSA-N 456.030 5.003 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1831444052 GZIIRQRGTGPXRO-DEOSSOPVSA-N 481.587 5.502 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)cc1 1831727786 MCPDUWWZCVYBJB-HHHXNRCGSA-N 486.591 5.045 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1832028233 JIZGLGVDZDIUEF-DEOSSOPVSA-N 455.042 5.185 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1832028528 VTKJPUPTHSIVFT-CXXWFMJBSA-N 475.677 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)CC1 1838375120 YGGTZLGZZYQJPE-JQYIIUTOSA-N 458.687 5.216 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)CC1 1838424479 JFTVORYUXPOBTI-UHFFFAOYSA-N 487.084 5.363 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)CCc2ccc(Cl)cc2Cl)C1 1845934286 UTVWCSKNPCOGDI-UHFFFAOYSA-N 479.524 5.181 30 20 JKED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1848062035 PWYCQEDDVGJDSG-VXKWHMMOSA-N 480.596 5.488 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10171035 UTHDDLWEONHWIN-UHFFFAOYSA-O 489.567 6.658 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)C(=O)Nc1ccccc1C#N 11021053 QZJGVKQFICVNBU-KRWDZBQOSA-N 473.989 5.638 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(\S)Nc2ccc(C)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1C 14872498 SJNSTFRZMBJHQJ-UHFFFAOYSA-O 461.626 6.277 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2c(CC)cccc2CC)c1 15316803 MRUGXFNJCVPLCM-UHFFFAOYSA-N 483.033 6.098 30 20 JKED O=C(Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1)c1ccc(-c2ccc(Cl)cc2)s1 15759664 QQXVCXAZHHYDPZ-UHFFFAOYSA-N 488.034 5.572 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 16254454 DHSXFNLXNJQIGN-UHFFFAOYSA-N 460.534 5.241 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(CC#N)cc2)n1-c1ccc(Cl)cc1 20067505 SGDMTQKTHUIVJF-UHFFFAOYSA-N 489.988 5.393 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)n1 21480463 IREHJLNEDHVNJZ-CYBMUJFWSA-N 454.543 5.584 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)CC)cc2)nnc1-c1ccc(Br)cc1 22217575 BLAYJDGANGGDOB-UHFFFAOYSA-N 485.407 5.217 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22727433 OJYCXSPLFUYRPV-UHFFFAOYSA-O 497.587 5.777 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 29201101 PPXAQSQBVDRRNL-UHFFFAOYSA-N 469.548 5.071 30 20 JKED COc1ccc(-c2nc(S[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)nc(O)c2C#N)cc1 71822020 AZSVIBCVYFLNQD-AREMUKBSSA-N 492.560 5.927 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 107834872 FDZLLPOCKHXLDG-HSZRJFAPSA-N 465.475 5.011 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc1 116552807 VYCWETXAZJQLBA-QFIPXVFZSA-N 499.567 5.005 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)nnc1-c1ccccc1F 195568970 AUPATEYFGHDZDY-UHFFFAOYSA-N 489.576 5.047 30 20 JKED CC(=O)Nc1ccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 208140463 PDCUPHCPEJLGLK-UXRUFTSHSA-N 489.575 5.895 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 303190663 VHXBACOASXTGHZ-UHFFFAOYSA-N 471.900 5.888 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 303284836 LCVMXEBGYUCAIX-OAHLLOKOSA-N 492.523 5.720 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cc(-c4cccnc4)nc4ccccc34)nc2C)n[nH]c1=S 303351291 NPQOFTNEVXAABG-UHFFFAOYSA-N 485.598 5.421 30 20 JKED Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(-c2ccccc2Cl)n1 303395530 YWKNBCFUAKVHSF-MRXNPFEDSA-N 453.354 6.007 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 478835778 SLNCIROEHWLYSC-IBGZPJMESA-N 459.402 5.504 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 481820993 AVBNGAMONCFERR-UHFFFAOYSA-N 470.554 5.061 30 20 JKED CCn1ncc2c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc(-c3ccccc3)nc21 487392134 TYLIIOJJHASNAK-UHFFFAOYSA-N 464.554 5.289 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 499327677 CFXJCSPBHZMYEX-UHFFFAOYSA-N 468.388 5.399 30 20 JKED CN(CCc1ccc(F)cc1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 500920292 QPTQIDRMPHXJPR-UHFFFAOYSA-N 459.365 5.364 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 502058671 QYLBUMKCRMYMOG-UHFFFAOYSA-N 469.591 6.417 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 502635576 PSLBZWYADHQSCZ-UHFFFAOYSA-N 466.585 5.380 30 20 JKED N#Cc1cn(CC(=O)N(c2ccccc2)C2CCCCC2)c2ccc(Br)cc2c1=O 502819027 YHMOOTOHPAPUEQ-UHFFFAOYSA-N 464.363 5.002 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)N2CCCC2)c1 508305065 WFLJFEUMVQXISF-VWLOTQADSA-N 486.572 5.326 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1Cl 509594437 VULRVDNQGFMXEB-ZJSXRUAMSA-N 466.368 6.254 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2)cc1 509853402 MFMZVHCORFVFOV-DEOSSOPVSA-N 468.582 6.310 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)s2)cc1 510236520 MPADAVZEVMAQAE-HSZRJFAPSA-N 483.622 5.882 30 20 JKED COc1ccc([C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccc(C)cc2)cc1 512869228 PGXKJTIVJZHLHE-SANMLTNESA-N 496.567 5.246 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nccnc1-c1nc2ccccc2s1 515043398 GDWGZLNOKBYVGT-UHFFFAOYSA-N 464.510 5.373 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(CN4C(=O)c5ccccc5C4=O)c3)n2)cc1 516270373 VHKXIELEIBEWTK-QHCPKHFHSA-N 493.544 5.105 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 517455573 SQTZBZQKCFQLHN-INIZCTEOSA-N 486.018 5.645 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)N[C@@H](C#N)c4cccc(Cl)c4Cl)nc(O)c23)C1 517491890 FMRGZXXBPZHVSZ-NHYWBVRUSA-N 475.401 5.142 30 20 JKED CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 517517993 NOMROJQDKPIKGY-GOSISDBHSA-N 499.592 5.528 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 517524039 ISMQSASHJCUTQY-CLOONOSVSA-N 459.619 5.149 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1Cl 518099835 IMOBYSIQJFFUTN-XMMPIXPASA-N 479.024 5.642 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2nccn2C)cc1 518259270 HLYVDDJDMKZXIY-XMMPIXPASA-N 453.502 5.004 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 518507913 UXFZQWNPIUAECN-CQSZACIVSA-N 484.368 5.258 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 518516683 RYAGAMNPMRYRBJ-LJQANCHMSA-N 490.997 6.169 30 20 JKED COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cc1ccccc1 518913174 YFDCVGDTWGYCKX-UHFFFAOYSA-N 481.512 5.224 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H](c2ccccc2)CC1 519438616 SEKGDMWTPZHXOW-SFHVURJKSA-N 475.536 5.446 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2Br)no1 520075694 SHDYWZWNJZRDFC-OAHLLOKOSA-N 468.332 5.424 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)cc2Cl)cc1 520089278 FVMUZOFVSONNMA-HXUWFJFHSA-N 498.391 5.949 30 20 JKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2C(F)(F)F)cc1 521258693 COYOXBFWCDSCJC-AWEZNQCLSA-N 488.441 6.091 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cc(Br)ccc2OC(F)F)c1 523278599 NVSSVMIWTJJBQS-UHFFFAOYSA-N 477.261 5.024 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 524388218 QBHSLYYSXFOEBJ-UHFFFAOYSA-N 456.933 5.846 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1nc(-c2c(F)cccc2F)cs1 591862542 UZLVHRDQVCETTC-GOSISDBHSA-N 475.476 5.470 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604084747 HMDVMHOZUVFSIM-UHFFFAOYSA-N 479.584 5.818 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 604499810 GKSLMRJDHOBDLI-UHFFFAOYSA-N 465.500 5.431 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 608965516 YUSJEGAHAQLSCS-NRFANRHFSA-N 457.313 5.251 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2Cl)c1 609062336 MIRCSOHGQWRPNG-UHFFFAOYSA-N 473.876 5.137 30 20 JKED COc1ccccc1-c1nc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cs1 609174701 UVYIINNVJVXNBK-JOCHJYFZSA-N 455.539 5.392 30 20 JKED CC(C)Oc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C(F)(F)F)c1 609212659 KGBBIUGQEZKNHL-UHFFFAOYSA-N 474.483 5.247 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)c1 609382909 WZDHMJKBHVVDSX-GOSISDBHSA-N 479.627 5.608 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 609437840 SWQCQUULUOFKKI-UZUQRXQVSA-N 463.990 5.579 30 20 JKED C=CCn1c(SCC(=O)NCc2cc3ccccc3o2)nnc1-c1ccc(Cl)cc1Cl 611889403 HAJAATQSURWODD-UHFFFAOYSA-N 473.385 5.593 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 613405324 YGDYOPMSSNIDGC-KRWDZBQOSA-N 491.498 6.062 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1[C@H]1COc2ccccc2O1 613907265 CQXROARZRZIVDX-GAJHUEQPSA-N 490.585 5.035 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 616988828 PRSRVGDMOYGQNK-UHFFFAOYSA-N 455.004 5.354 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(C)nc3ccc(Br)cc23)cc1 725975887 UOQDUWWRUQTOJQ-KRWDZBQOSA-N 480.362 5.106 30 20 JKED COc1cc(/C=C2\CCc3cc(O)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 726427191 GQWOACZHMSDDCG-LDADJPATSA-N 497.469 5.650 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)c(Cl)c1 726892747 WHFFFYVFOISTLH-SFHVURJKSA-N 497.926 5.514 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 727589468 UXFSSKKCZISCGZ-NDEPHWFRSA-N 452.602 5.718 30 20 JKED N#C[C@@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nnc2n1CCCCC2 728147803 NCQWWYRYTJWMQA-QHCPKHFHSA-N 471.992 5.470 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)Cc1ccco1)c1cccs1 728429002 DUUCXKCPSZDUAM-MVMYZMPZSA-N 492.626 5.234 30 20 JKED O=C(O)Cc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1 728698744 NBICTASYSXFLGM-PFONDFGASA-N 476.488 5.169 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CCCCC#N)c1cccs1 728777161 DRLIKHAKWFDCEQ-UEDPMERDSA-N 490.654 5.985 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 729552661 IINHCSMDLGVNEQ-QHCPKHFHSA-N 464.529 5.199 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)c1 729634331 KLBXVYGRVVUCRL-DEOSSOPVSA-N 488.613 5.176 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(N3CCCCCC3)nc2)n(C2CCCCC2)c1C 729733238 UVCSCIVYWDZZQR-UHFFFAOYSA-N 477.609 5.053 30 20 JKED C=CCN(C(=O)c1sccc1SC(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 730469165 GPTLWBFZIKSZEM-UHFFFAOYSA-N 453.517 5.927 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCOC)c1 730529090 JWRQILPKUNJKQI-GOSISDBHSA-N 480.417 5.163 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730942108 DXCOSICVVQEBQG-RDPSFJRHSA-N 472.614 5.728 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](C)c2cccnc2)C1=O 730943263 ATAZRGXUEXETAW-AOMKIAJQSA-N 495.004 5.465 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943893 MQZBHYGEHMZBFJ-CVDCTZTESA-N 458.587 5.420 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1C#N 731063130 IUKMTSDLRGVXCI-SFHVURJKSA-N 455.539 5.415 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 731067073 USJQRNMKIBPZFU-NLFFAJNJSA-N 498.608 5.570 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731311757 DRQACEYHBGCTPE-CJAUYULYSA-N 496.592 5.662 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 731332062 CDJOLWLFBRQDCX-NSHDSACASA-N 465.825 6.964 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 747221316 TUUGYOTWHWSUHC-OAQYLSRUSA-N 472.488 5.213 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1nccs1 747602129 IZCNCRNQWOIVEO-FQEVSTJZSA-N 484.691 5.233 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c1 747603552 SVDFPFBLEWDWLP-OAQYLSRUSA-N 482.606 5.368 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CC(F)(F)F 799222336 VONJLAPLHSDQAY-KRWDZBQOSA-N 471.451 5.050 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1ccc(F)c(Cl)c1 837768580 RYIJIVRTOHQGNK-OAHLLOKOSA-N 477.842 5.141 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCCC1 838504141 KQKMDXSYMWCWLG-FQEVSTJZSA-N 491.535 5.617 30 20 JKED N#Cc1ccc(Sc2nnc(CSc3nc4ccccc4s3)n2Cc2ccccc2)nc1 875867987 BJVBBQGQEMMYIY-UHFFFAOYSA-N 472.624 5.646 30 20 JKED COc1ccc(-c2nc(Cc3noc(-c4ccc(Oc5ccc(C#N)cn5)cc4)n3)co2)cc1 904332261 OTZWKCTVLXIDSA-UHFFFAOYSA-N 451.442 5.050 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(-c2nc(C3CCC3)no2)c1 904867358 FANDIAWSGOJRCV-UHFFFAOYSA-N 459.955 5.047 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(C)c2)c1 912771843 VAXHWXXXYRKURD-XMMPIXPASA-N 489.597 5.173 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 914548918 VQWOUNBGVXUTKM-IBGZPJMESA-N 471.554 5.495 30 20 JKED CCn1cc(C(=O)O[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)c(=O)c2cc(Cl)ccc21 914983641 XKTFVDFZFSFDPC-DNPFKWNUSA-N 478.976 5.101 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2COCc2ccccc2)C1=O)NC1CC1 915269835 BUPYLCFCROSAHL-SANMLTNESA-N 499.636 5.204 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 915352899 OVAXPRQZAWRZHV-IBGZPJMESA-N 453.329 5.409 30 20 JKED CCN1C/C(=C\c2ccc(OC)c(OC(F)F)c2)C(=O)/C(=C/c2ccc(OC)c(OC(F)F)c2)C1 916137816 BGRGDRBJIBHIPQ-BEQMOXJMSA-N 495.469 5.278 30 20 JKED Cc1ccccc1NC(=O)C(=Cc1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccccc1C 916151043 QCTUDMCSCBJERI-UHFFFAOYSA-N 489.579 5.741 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(N2CCCCC2)s1 916272592 CUGIPQJSGLXCDK-UHFFFAOYSA-N 469.035 6.021 30 20 JKED N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)CC1 916697231 NMMLQSPYDDBMJE-HNNXBMFYSA-N 479.408 5.337 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COc1ccc(-c2ccccc2)cc1Cl 916903724 RIUJMHGDTSPZAJ-QFIPXVFZSA-N 460.961 5.858 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(Br)cc2)s1 916910879 JTFLAUFQQPDNEO-CQSZACIVSA-N 459.752 5.792 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 916946167 MNQZNYJAASOABT-QGZVFWFLSA-N 459.285 5.135 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c2c(C)c(C)sc2n1 917039837 FELNYIFZBISZSC-CYBMUJFWSA-N 457.531 5.330 30 20 JKED N#C[C@@H](C(=O)CCc1cccc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 917045327 XXHYRSJZYGBKGC-AWEZNQCLSA-N 453.283 5.887 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1 917424621 OWJOQHRGFPITCK-KRWDZBQOSA-N 469.925 5.371 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)c(Cl)c2)cc1 917612780 HXSCBLXDWFHZAL-UHFFFAOYSA-O 455.390 6.038 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 917714151 XSQZYUQPEMJXDQ-HSZRJFAPSA-N 450.519 5.993 30 20 JKED CSCc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)oc2ccccc12 918161577 IYINFLXBUPKVDW-ROMGYVFFSA-N 485.631 5.141 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)o1 919513493 HTJCXZAMGRLIOR-MHZLTWQESA-N 498.560 5.123 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2nnn(-c3ccc(C)cc3)c2C)cs1)c1ccc(F)cc1F 920067562 IOPNDAZTCOMVJC-YRNVUSSQSA-N 479.512 5.200 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc(-c4ccc(F)cc4)s3)n2)cc1 920140394 FUAUCHSXPBCMFK-IZKUIKQZSA-N 455.539 6.439 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920323289 HTOQBODDRDHPKK-WIYYLYMNSA-N 484.408 5.527 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3c(C)noc3C)C2=O)c1 920355669 LPZYILRFUTYCHW-QFIPXVFZSA-N 497.020 5.722 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1nc(-c2c(F)cccc2F)cs1 920804046 JHADSDCEJLYDOE-INIZCTEOSA-N 487.478 5.095 30 20 JKED C[C@@H](COCC(F)(F)F)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 921255040 WPPUZKRZOHOOHS-KSSFIOAISA-N 499.942 5.268 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC[C@@H](NC(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785810175 GGRMBHCOBJWIBZ-AUSIDOKSSA-N 481.637 5.170 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3(C)CCC3)cc2)CCC1 1785812548 WORSJPAKLJAIHF-JOCHJYFZSA-N 481.637 5.008 30 20 JKED COc1ccc(OCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cc1 1785981687 MLDNDAMIIOUJEW-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1786373943 SWWWLVGYGRFBTB-QGZVFWFLSA-N 463.965 5.227 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(-c6ccccc6)cc45)CCC3)cc2)CC1 1787881094 GYMWMAYAWFADDC-UHFFFAOYSA-N 475.552 5.281 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(OCc5ccccc5)cn4)CC3)CCC2)cc1 1787885626 VFJLVOMHRSNVIZ-UHFFFAOYSA-N 494.595 5.130 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc5sccn5c4)cc3)CCC2)c1 1788413727 INEIXPVHYHRMPQ-UHFFFAOYSA-N 458.518 5.073 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1 1788458750 ZAIWUIOIFLRGJW-UHFFFAOYSA-N 472.665 5.313 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ncccc4-c4ccccc4)cc3)CCC2)CCC1 1788803197 VRPMYZZDGBJWOI-UHFFFAOYSA-N 450.542 5.190 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1789024166 XBYYOVLNCKWFGJ-UHFFFAOYSA-N 479.536 5.574 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5[nH]4)cc3)CCC2)cc1C#N 1789318010 QQHMMNMBGCIRRF-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnnc4ccccc34)CCC2)cc1 1789508250 ZKQVAQQVIKCXLX-UHFFFAOYSA-N 484.676 5.429 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CCC3)cc2)c1 1790144878 PUXYOCNRSMUMSO-FGZHOGPDSA-N 458.949 5.091 30 20 JKED CCOc1c(F)c(F)cc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)ON=C(C)C)cc3)CCC2)c1F 1790566557 BTWUXZWCCITIMM-HNNXBMFYSA-N 491.510 5.051 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791252713 YEESYWRQVQROFN-SIKLNZKXSA-N 471.642 5.272 30 20 JKED C[C@@H](Cc1ccncc1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792126291 DMJZPSRHZFPTEO-LEWJYISDSA-N 466.585 5.335 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4ccncc4)CCC3)cc2)cc1C#N 1792169460 LFMCUCFHRJPJHK-UHFFFAOYSA-N 496.611 5.511 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1 1792336813 QIRWQPQOTMAJLX-PIIWDFAUSA-N 481.637 5.170 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3cccc(C(F)(F)F)c3)[nH]n1)C2 1793050860 MCWFVLDNOIJPOI-WKCHPHFGSA-N 486.538 5.116 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C#N)c1Cl)C2)c1ccc(Cl)cc1 1793223611 XFOGCMQNKXJZCG-KGSLCBSSSA-N 484.427 5.557 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1ccc(Br)cc1)C2 1798335905 XGYMGGWZFSXRJP-KGSLCBSSSA-N 489.454 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cc(F)cc(F)c1)C2 1798593124 RZUVOHFNWQGSAC-KOUNCHBCSA-N 467.560 5.271 30 20 JKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccc(OCc3ccccc3)cc1)C(C)C)C2 1802316209 KNGWATDUEDZZJV-KALPRAJFSA-N 460.618 5.220 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803446778 BPZSOQJEFXJMFM-UTKOEOAASA-N 490.047 5.128 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(F)CCCCC1(F)F)C2 1803866731 KATJNKOCUKRYKV-IGMJJTELSA-N 480.424 5.014 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)C1 1806064056 YIAKFYANYYTVHZ-AREMUKBSSA-N 489.685 5.406 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)cc1 1809619286 XDSDYGAIBVOPGY-HNNGHJNESA-N 498.671 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1809788494 SVGLNJVWEMXMCQ-GBXCKJPGSA-N 465.663 5.334 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(C)c2)[C@H]1c1cccnc1 1810171121 DWQNYQOGMFBEQB-GEBXHLAXSA-N 494.639 5.540 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1810183186 SXXCADIVMQAYMI-PPJWLVRDSA-N 473.642 5.693 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3cccs3)on2)[C@@H]1c1cccnc1 1810498643 OGEZUJCEGFJIMJ-AUSIDOKSSA-N 478.618 5.110 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811115677 DISZJABKJDJWOT-SBUREZEXSA-N 497.357 5.033 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c1Cl 1811850917 VVMZKPUTZYTURA-ZEQKJWHPSA-N 484.987 5.117 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812508012 QBJCOPIZWPWMTR-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1812756714 QJSYJMBVZLJHRY-CNPGNWEMSA-N 487.003 5.038 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)[nH]n1 1814828843 UYQXYZJGRIHSDN-XXBNENTESA-N 450.583 5.028 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(F)cc2F)n[nH]1 1815520827 YDSUTMLAYIHGND-LBGHRLISSA-N 454.521 5.162 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)nc3ccc(O)cc23)n[nH]1 1819005699 SCHMPFAJUGANCH-DVECYGJZSA-N 473.577 5.046 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)cc12 1819056319 HRMDHHDGHNVLBA-IQGLISFBSA-N 480.572 5.446 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819077035 UYKHCEIFNDRQRL-UZLBHIALSA-N 460.600 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)[nH]n1 1819557032 UGLHHBZAALEIKR-QFIPXVFZSA-N 451.615 5.039 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)[nH]n2)c1Cl 1820219142 KVOUAQCGWXECON-KRWDZBQOSA-N 478.965 5.097 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c1Cl 1821044013 RRDRQHVUZVVDDX-IBGZPJMESA-N 486.334 5.347 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)[nH]n2)c(Cl)c1 1821275023 VEMLPNYVZIYTEJ-QFIPXVFZSA-N 491.954 5.112 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ncsc34)[nH]n2)c(Cl)c1 1821278147 NFVHPEANUVLENF-FQEVSTJZSA-N 490.976 5.164 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3F)[nH]n2)cc(C(F)(F)F)c1 1821310241 PRVAJDJKPOSCSO-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)Cc3ccc(F)cc3)n[nH]2)c1 1821811623 QMKQTIQDYALDAF-RRQZXNHTSA-N 487.579 5.361 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1822393709 CEJFMYFZZNPPGU-ZJSXRUAMSA-N 455.002 5.299 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1822400934 WVCGGUIYKOOLNY-HXUWFJFHSA-N 459.575 5.502 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2OC)n[nH]1 1823255348 RRKJFLDCZQNAER-OXQOHEQNSA-N 456.974 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)c(C)c(OC)c2)n[nH]1 1823281884 MGXHKBPKJCDVEJ-HXUWFJFHSA-N 468.598 5.034 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823675254 DMGVTHHHJOZJKH-VWLOTQADSA-N 468.041 5.823 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)C1 1823700246 JUZNQPBYAZHJFL-HXUWFJFHSA-N 457.039 5.754 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(-c3cccnc3)n2)CC1 1823752428 GFWDSDVVJBXDIR-QHCPKHFHSA-N 480.678 5.431 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1823888269 GXUSGHRMQXVJKE-LJQANCHMSA-N 458.027 5.338 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 1824138298 YZMMWMNIMXWUOI-VWLOTQADSA-N 461.606 5.343 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1824142054 DOPZDEMRIUZMMA-XMMPIXPASA-N 465.663 5.606 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc3ncccc23)CC1 1824471221 MXOHPBTZVNWXMD-AREMUKBSSA-N 461.650 5.389 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1824502315 GLDBJMMKDQFEJU-OAQYLSRUSA-N 485.427 5.349 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)CC1 1824648897 ZNSLZOFJIZEWQZ-GOTSBHOMSA-N 480.716 5.483 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1824828041 VPKPBQMVCVLKGS-YABDQXBESA-N 493.545 5.299 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825422667 KKTVPEBSFMAVJG-HHHXNRCGSA-N 477.649 5.206 30 20 JKED C=CCCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccncc34)CC2)c(O)n1 1825626606 VVVHSUABJDCIBA-MHZLTWQESA-N 498.627 5.001 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1)n1cccc1 1827632086 SNEDVKBEJXLTJV-VYCLJVNGSA-N 474.649 5.390 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1)c1cccs1 1828189041 JBFQLVIQGKJQHB-RQWLHQTBSA-N 476.598 5.167 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828508274 CQLDQHCINDCPRQ-FGZHOGPDSA-N 495.611 5.374 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828653224 OVMLBHYEZUZFFH-MHZLTWQESA-N 489.736 5.519 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1828827257 TYRHUYWAECDXQO-SFTDATJTSA-N 493.570 5.111 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 1828882258 LHTVHJCVHVBFBN-XDWXJERXSA-N 468.682 5.009 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccoc3c2)CC1)c1ccccc1 1829032131 DTBOXPRGSMBNBZ-BDYUSTAISA-N 483.612 5.258 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)CC1 1829688164 SJDVARGASAGBMC-XNMGPUDCSA-N 472.633 5.145 30 20 JKED CCCCCc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)ON=C(C)C)CC2)cc1 1830418973 IKVFIVGBGBGDFT-WNCULLNHSA-N 483.697 5.382 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1830472567 XGVKTERZDBERBB-RUZDIDTESA-N 499.989 5.356 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)CC1 1830516016 YKNPCEJZHWYUAY-OAQYLSRUSA-N 479.846 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2)CC1 1830582399 MYDNJMNOGZFCFQ-PKTZIBPZSA-N 460.565 5.290 30 20 JKED C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1830717029 FNFTVWYCJGBQFW-FQRUVTKNSA-N 461.581 5.124 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)CC1 1831301938 QNXOEEQNKBIXLR-AREMUKBSSA-N 482.665 5.025 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1831374614 RHEDHCCEPKRVMK-DXMHNEBDSA-N 463.622 5.022 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1831376090 JWASQAMRHAEEOK-IERDGZPVSA-N 454.508 5.290 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCCCC2)CC1)c1ccc(O)cc1 1831924419 DDYOTNUNEQXBOE-VPUSJEBWSA-N 464.650 5.089 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(=O)c3ccc(Cl)cc3)CC2)c1 1832629513 SHMOKFKKSKVCRX-UQBPGWFLSA-N 492.019 5.083 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c(Cl)c1 1832660141 HHAJKNZLININHK-AREMUKBSSA-N 494.035 5.086 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CCC1 1832785018 BTPPEBGLBLHPPB-LJQANCHMSA-N 466.384 5.060 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1832933919 JYMQDSPFBICVFT-OEMFJLHTSA-N 491.717 5.100 30 20 JKED C#CCCCC(=O)N1CC2(CCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)C1 1845048743 QAEAVVZCRGAUAU-UHFFFAOYSA-N 475.608 5.045 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)C1 1845121493 HECMLWSZAIANEE-NRFANRHFSA-N 466.025 5.213 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2F)C1 1846881944 RLQPHQQUDMKUHU-UHFFFAOYSA-N 492.366 5.133 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2c1oc1ccccc12 1847474800 NLZUADJBXVQTRD-ZEQRLZLVSA-N 468.940 5.107 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(CC#N)cc2)cc1 1847491112 GEPBHBDMEQCHCH-LXINPXMRSA-N 455.602 5.014 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccccc2C)cc1 11165346 LPZUABCIYPPCLM-UHFFFAOYSA-O 454.413 5.658 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)N(CCC#N)c4ccc(C)c(C)c4)cc3)o2)cc1 11344024 QNHCZEGJNJHXFN-UHFFFAOYSA-N 494.551 5.433 30 20 JKED C=CCc1cc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)cc(OC)c1OC 16171517 NZGJLTCRVMWGGZ-UHFFFAOYSA-N 470.522 5.070 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(C)cc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 17346043 UXVXSWCBNZISRH-UHFFFAOYSA-N 462.556 5.983 30 20 JKED N#Cc1ccc(C(=O)CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)cc1 18959885 LSBKXOYMAJUPQE-UHFFFAOYSA-N 460.946 5.346 30 20 JKED CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2-c2ccccc2F)cc1 21120172 NYFCLFXFHILBTO-KRWDZBQOSA-N 487.560 5.463 30 20 JKED Cc1sc2nc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)n(C3CCCC3)c(=O)c2c1C 22101788 RXHBIDZEYZADTK-GOSISDBHSA-N 480.659 5.617 30 20 JKED CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)N(CCC#N)c4ccccc4)n3C)cc2C1 23475623 DYLPKXBLNWLAJL-QGZVFWFLSA-N 465.648 5.097 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793657 UZKBHAQXOHESAO-UHFFFAOYSA-O 462.639 5.778 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 31257547 RTVNOPAVQWMNNZ-UHFFFAOYSA-N 491.345 5.052 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1[C@@H]1COc2ccccc2O1 32557079 XXBPNIAUGKJFHE-RXVVDRJESA-N 464.591 5.021 30 20 JKED C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1cccc(OC(F)F)c1 107593772 PJUKCKZWBJCNFO-LLVKDONJSA-N 493.354 6.002 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC 108954387 WBLDRIICFKUVBK-UHFFFAOYSA-N 468.513 5.079 30 20 JKED COc1ccc(N2CCCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 195547010 MPYXBRNFNGPYCG-UHFFFAOYSA-N 470.573 5.084 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3oc4ccccc4c3CSc3ncccn3)CC2)c1 303257522 ORWZNHLGTKRJPL-UHFFFAOYSA-N 470.554 5.070 30 20 JKED N#Cc1ccc(N2C(=O)C[C@@H](Nc3ccccc3OCc3ncc(-c4cccc(Cl)c4)o3)C2=O)cc1 477032804 KSWAHOBKHRVHMX-JOCHJYFZSA-N 498.926 5.190 30 20 JKED N#Cc1ccc(SCC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 482055770 WGQDRIPMCCAVRB-JOCHJYFZSA-N 466.488 5.451 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)n2)cc1 488012528 YPCPEHKLTLXFDT-UHFFFAOYSA-N 484.531 5.308 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2sccc2Br)cs1 500710099 LGQMWCIMYSRYLN-UHFFFAOYSA-N 478.393 5.312 30 20 JKED C=CCn1c(S[C@@H](C)c2ccccc2F)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 501425099 NXKZNNZVRBENKA-KRWDZBQOSA-N 474.627 5.154 30 20 JKED C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 506293795 HGNAIELIVIQOCX-PXDATVDWSA-N 454.574 5.289 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccncc1 510307369 MVNZVDPCZRMWEB-SFHVURJKSA-N 461.513 5.300 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Br)cc1 511304403 IMQVLPSNJYLWGR-QGZVFWFLSA-N 464.363 5.977 30 20 JKED CCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 512316272 UQNDXCBFTBFPJF-RTWAWAEBSA-N 496.567 5.046 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(Br)cc2F)cc1 513959560 PIIUOCIAKCHAJH-UHFFFAOYSA-N 456.290 5.833 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1Cl 514544300 NCXFCFYUGDVLIE-HSZRJFAPSA-N 494.016 5.422 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)o2)cc1 514574881 GACLMVFRGWGOCA-OAQYLSRUSA-N 490.972 5.785 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc12 515540524 YBQYGXMXUUCMGZ-MRXNPFEDSA-N 481.915 6.284 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc1 516269945 GEMAMHDEDHFSHI-QFIPXVFZSA-N 463.522 5.816 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 517518097 SKQOQBSYDVKCPN-KRWDZBQOSA-N 462.575 5.474 30 20 JKED COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1OCc1cscn1 518150483 ATCKNVJOBJLVGT-UHFFFAOYSA-N 493.532 6.008 30 20 JKED CC1CCC(OC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)CC1 518162819 KIHOJVVSCQRVDW-KRFYGZOHSA-N 466.025 6.587 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 518243111 PPUVMUKQGLJBKD-HNNXBMFYSA-N 457.602 5.195 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 520835362 KXVMZCZBPFSECC-MRXNPFEDSA-N 479.499 5.341 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c12 521250392 WTRYAOODUCAOTD-UHFFFAOYSA-N 490.489 5.078 30 20 JKED Cc1cccc(COc2ccc([C@H](C)NC(=O)C(=O)Nc3ccccc3SCCC#N)cc2)c1 521740330 TXXIWXNSLPHLNW-FQEVSTJZSA-N 473.598 5.396 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1 523695765 HSBZCRYHDXIGKI-UHFFFAOYSA-N 469.444 5.291 30 20 JKED N#C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1cccc(Cl)c1Cl 524572801 UZTUKALDIRROHP-OAHLLOKOSA-N 493.144 5.596 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)cn2)cc1 603690558 LKDVFCMVXVRACK-UHFFFAOYSA-N 461.953 5.139 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)NCCSCc1ccccc1C#N)CC2 603748209 XGWJKEAIXUAEAE-VWLOTQADSA-N 493.654 5.227 30 20 JKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604522816 BDIALZRNIAVYJG-OZXSUGGESA-N 468.557 5.442 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 608993902 BZIHOTYYPYPKMW-UHFFFAOYSA-N 482.584 5.066 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc2ccccc12 609083838 KOYJGSVRFYACEV-SFHVURJKSA-N 483.955 5.760 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1Cl 609164350 LSPSCQFEQLMZOC-RDPSFJRHSA-N 472.976 5.878 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O 609371559 NSAINVQWNDEHQV-FNZWTVRRSA-N 498.608 5.083 30 20 JKED CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)cc1 609404727 PADNUHXEWZBSAI-KBMIEXCESA-N 473.598 5.181 30 20 JKED COc1ccc(-n2nnc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c2C)cc1 613344682 MLJNNMDASHRXPA-KRWDZBQOSA-N 484.368 5.505 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCC2CCCC2)cn1 726116788 KZTHMIUJVKNWJN-JOCHJYFZSA-N 467.639 5.060 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N([C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726394571 VUFDJHCQAVCKEE-CTNGQTDRSA-N 493.551 5.179 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1F 726397712 IOXFLNPNIYMSOY-BFUOFWGJSA-N 481.952 5.004 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H](C)c1ccccn1)c1ccc(Cl)cc1Cl 726398953 WCBUYVYRBRNAOG-KXLVAZQESA-N 491.444 5.179 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)c(F)c2)cc1 726570838 LXXZEKPVULURPQ-UHFFFAOYSA-O 470.952 6.053 30 20 JKED N#CCCCOc1cccc(/C=C(\C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)c1 726741340 FAUBYRXJEUJXBO-QJOMJCCJSA-N 470.960 5.756 30 20 JKED Cc1nc(/C=C\c2cn(C)nc2-c2ccncc2)sc1C(=O)/C=C/c1cn(C)nc1-c1ccncc1 726849221 ZXHVUVIQJYQJII-GUBXDBFYSA-N 493.596 5.109 30 20 JKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)c2c1 726993360 HKPONCRKPVBHFB-UHFFFAOYSA-N 487.519 5.063 30 20 JKED N#Cc1cccnc1NCCNC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 728127269 XYGSADSLSKCRNV-UHFFFAOYSA-N 476.899 5.320 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)cc1 728776763 FFJYXGLBXADJNR-HXUWFJFHSA-N 454.983 5.303 30 20 JKED CN(CC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1)C(=O)OC(C)(C)C 728895231 LEBORJTZRPBDOC-UHFFFAOYSA-N 465.619 5.429 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(OC)c1 729634681 QVQZMLLUWVRBQF-JOCHJYFZSA-N 469.607 5.100 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cocn3)C2=O)cc1 730712204 KIOZJZMPIOAVDF-JOCHJYFZSA-N 462.575 5.267 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1-c1ccccc1 730945337 QIQJUWQTFYKEHY-MHECFPHRSA-N 470.598 5.110 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2occc2CSc2ccccc2)nc1C 731225310 YJEPAOKGTWUQKZ-UHFFFAOYSA-N 469.617 5.322 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCC1=CCCCC1 731313244 UZELNYSEYGDGNH-QHCPKHFHSA-N 474.586 5.115 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(C3CCCC3)C2=O)cc1OC 743526648 WEGZUOBDGNJOGK-QFIPXVFZSA-N 485.581 5.054 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(C)=O)C=C1)=C(/S)Nc1cc(C)ccc1F 744115989 NVKMBKKDCVCGET-UHFFFAOYSA-O 450.559 5.078 30 20 JKED CN(C)c1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)cc1 745406577 ODMGXCAKGLVTDO-QHCPKHFHSA-N 494.567 5.191 30 20 JKED COc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4cccs4)csc3n2)cc1OCCCC#N 747361206 HDLNXSMDHXQGFW-LFIBNONCSA-N 484.002 6.553 30 20 JKED CCCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1-c1ccccc1Cl 749049432 RPAJBDSCEZFSSN-LJQANCHMSA-N 499.958 5.627 30 20 JKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 751165192 FCRTZHILGRRRCN-ICSRJNTNSA-N 465.619 5.475 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CC(F)(F)F)C2=O)cc1Cl 799219004 JKMGIVUBIGLGNC-MRXNPFEDSA-N 489.878 5.010 30 20 JKED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 799452186 JGSIOGCWDQSSHO-XFXZXTDPSA-N 472.353 5.318 30 20 JKED Cc1noc(CSc2ccccc2C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 825930049 QLUUTOOGDZHDAF-CQSZACIVSA-N 496.614 5.056 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccccn1 837285566 OYIQLFHJVBMYOY-PGRDOPGGSA-N 476.577 5.559 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cccs3)C2=O)c1 837399711 IGOKLPUVMBPNLF-JOCHJYFZSA-N 495.626 5.234 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CCN(C3CC3)CC2)C1=O)Nc1cccc2ccccc12 837535715 IIUJKGUEIFPWEI-SANMLTNESA-N 498.652 5.427 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@@H](C)c1ccccn1 838226931 PPWBYEGECXCHQT-CPJSRVTESA-N 486.641 5.982 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CC(F)(F)F)C1=O)Nc1ccc2ccccc2c1 838596221 NXMHZIYYBGGQPB-LJQANCHMSA-N 493.457 5.641 30 20 JKED O=C(C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)N(O)Cc1cc(Cl)cc(Cl)c1 901380140 MQZCPEXBWOLWTG-UHFFFAOYSA-N 475.294 5.282 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)cc1OCc1cccnc1 915049849 ZXZJMFUPSMPVJH-UHFFFAOYSA-N 489.601 5.134 30 20 JKED C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)C1 915086565 LSJNBFDBIBNPRY-RXFWQSSRSA-N 473.598 5.015 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 915099841 CWVAJTDQBXOIEC-LJQANCHMSA-N 483.553 5.331 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1ccc(C)o1 915110793 CMHGZMYAPMMPAS-JOCHJYFZSA-N 499.539 5.078 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2ccc(C(F)(F)F)cn2)c1 915917771 NIWMANKOILNBEQ-UHFFFAOYSA-N 467.451 5.416 30 20 JKED Cc1sc2ncn(N=Cc3ccccc3OCc3cccnc3)c(=O)c2c1-c1ccccc1 915944868 LDPLNXPRQKQGSY-UHFFFAOYSA-N 452.539 5.290 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2ccco2)C1=O 916217366 LPWNTCXWOXTMEL-OAQYLSRUSA-N 463.559 5.066 30 20 JKED Cc1ccc(-c2nnc(S)n2N=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 916306696 VCJOYJQAAWNTKF-UHFFFAOYSA-N 482.396 5.984 30 20 JKED COc1cc(/C=C\C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1OCc1c(C)noc1C 916845958 AHQCULHGYGSFBE-IQBZNYMQSA-N 459.527 5.378 30 20 JKED N#C[C@@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847860 XDNFMZJEIVJIOB-INIZCTEOSA-N 467.641 5.634 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c2c(C)c(C)sc2n1 916886130 FHWVVGHSFIPTGX-HNNXBMFYSA-N 492.598 5.371 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)s2)cc1 916905097 MIKHEECCHVEOPK-OAQYLSRUSA-N 483.549 5.881 30 20 JKED Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1C 916918532 QBUTWWRKFXCUPY-NRFANRHFSA-N 454.555 5.082 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 916949252 MVONKISYGQWWBB-VOIUYBSRSA-N 462.981 5.546 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccc(Cl)cc1 916971526 BLBSCCAQHZDXQD-IBGZPJMESA-N 494.045 6.019 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976146 LLSSZPNTBDOEHX-SFHVURJKSA-N 467.381 6.160 30 20 JKED N#C[C@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nc(-c2ccccc2)cs1 917026212 BGTGVBUKRFSWBB-JOCHJYFZSA-N 472.953 5.950 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccc(C)n2)cc1 917685260 YODKLLFYSZGZIJ-DEOSSOPVSA-N 488.613 5.258 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 917701386 SHVYKYQQAZSMJY-GOTSBHOMSA-N 477.561 5.118 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cs1 919636875 CCYUVDFSSFOYFK-JOCHJYFZSA-N 483.977 5.500 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)cc1 920141586 FTDUSTZNCPYTHH-DENIHFKCSA-N 467.550 5.201 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1 920143295 OTBULTSYGRQQMJ-IBGZPJMESA-N 499.539 6.380 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c1 920354189 ACZKGAKQZADGCJ-HSZRJFAPSA-N 476.602 5.377 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)c1 920805521 CZKWCJQRKLKXNF-WMZOPIPTSA-N 480.540 5.517 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920806613 MPILTPSEAJFCKZ-INIZCTEOSA-N 495.580 5.563 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1=S 921051011 GSBZHJMZLGSDFT-UHFFFAOYSA-N 480.037 5.823 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 921188677 CPBUNGFZXVNMBO-UHFFFAOYSA-N 457.525 5.469 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(C3SCCCS3)cc2)c1 925497078 UCOSXPJFOVPBKH-IBGZPJMESA-N 468.644 5.664 30 20 JKED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 1781022838 BRROMPIALFQJGP-RRIABGHYSA-N 498.708 5.000 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1786677238 MNPAXWBSHUMPRF-UHFFFAOYSA-N 463.578 5.488 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4cc(Cl)ccc4Br)CCC3)cc2)CC1 1787880185 SOMUOVVAHCQJQY-UHFFFAOYSA-N 486.797 5.083 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ccc(Br)cc5n4)CCC3)cc2)CC1 1787881398 MBXGSTKCGFIQIG-UHFFFAOYSA-N 489.373 5.049 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cc1 1788649501 MJNHERCPNAGLRU-FYWRMAATSA-N 483.593 5.126 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3C(F)(F)F)CCC2)cc1 1789454117 QPFSXMIIAMTCLP-IBGZPJMESA-N 457.496 5.617 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccn4cncc34)CCC2)cc1)c1ccccc1 1789600373 JCFGERSBIQPFOH-RUZDIDTESA-N 476.580 5.279 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccn5)[nH]n4)cc3)CCC2)c1Cl 1789811201 KNAUWNZXSPZDPD-UHFFFAOYSA-N 496.958 5.058 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)s4)cc3)CCC2)c1 1789862740 BMKPEDNGMIEVFX-HNNXBMFYSA-N 464.978 5.485 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5cc(Cl)ccc45)CCC3)cc2)cc1 1790706456 DUPJEAKTRGRKPW-UHFFFAOYSA-N 483.959 5.344 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(NC(=O)C5CC5)cc4)CCC3)cc2)c1 1790766814 MZOJTWDLRQPYTG-UHFFFAOYSA-N 496.542 5.107 30 20 JKED C[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1)c1ccccn1 1790767818 OENHPVNAQYXSNB-KRWDZBQOSA-N 458.949 5.158 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)Cl)CCC3)cc2)cc(C(F)(F)F)c1 1790787620 QATGUMLKCZLZAJ-UHFFFAOYSA-N 471.813 5.156 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc4cc(Br)cnc34)cc2)CCC1 1790963509 GEAQRKBHAZQNGT-UHFFFAOYSA-N 476.374 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@]34C[C@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791445714 WVJMULYPIVVAHR-NWKHUOOYSA-N 493.648 5.288 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cncn5c4)CCC3)cc2)c1 1792124868 NCEMTVSWZNNPPD-IBGZPJMESA-N 463.541 5.023 30 20 JKED COc1ccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)cc1 1792229845 BYXSPEWTRJWVLF-UHFFFAOYSA-N 480.568 5.199 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)cc2)C3)cc1 1792483766 VUOQBCIQKKCROT-OUOZDZGXSA-N 463.581 5.110 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Br)c1CC)C2 1798339996 JQHYOMOLUZMVTB-DMUMMCEESA-N 459.428 5.032 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C\c1c[nH]c3ccccc13)C2)c1ccccc1 1798553609 NWSFLJQKECSFCZ-OZVOXKDGSA-N 465.597 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1798592153 HGWPBBAHYMOWLF-BKFWDETESA-N 469.629 5.851 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1 1800514810 COPWVFHWWGCLST-YYGVREGISA-N 480.612 5.287 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](c2ccc(OCc3ccccc3)cc2)C(C)C)C1 1802082404 OJAXGWDIYNTNRW-LLNGEMMXSA-N 486.656 5.610 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1802744410 RHIZDYQPMRSMSR-YADARESESA-N 493.394 5.202 30 20 JKED CC(C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)CCc3cccc(C#N)c3)C2)CC1)c1ccccc1 1805324141 PJCXMTQCHQYDRQ-MUUNZHRXSA-N 471.645 5.162 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3cccc(Br)c3)C2)CC1 1805898165 ZPDSFHQCMIDFRZ-HXUWFJFHSA-N 491.470 5.052 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CSc3ccc(F)cc3F)C2)CC1 1805928878 QTDLGSXUDZEVSO-UHFFFAOYSA-N 464.622 5.281 30 20 JKED CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1)c1ccccc1 1806274030 RMXPRQWICMYPQR-MVERNJQCSA-N 487.003 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1809473028 MBAZYPPCSTVYSZ-GPUOULLFSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1810175212 XMLZVQKISRFDQF-DNRQZRRGSA-N 477.008 5.304 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810728674 ZDNWIOKHTNWANI-VAVYLYDRSA-N 481.596 5.387 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1811058213 MTRNTEVGDAIXCF-ZCYQVOJMSA-N 486.641 5.293 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c1 1813868860 SJRUFCWNZOZIKZ-ANFLZCCJSA-N 478.596 5.219 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813952753 CIGPHARJXPAXAM-CYXNTTPDSA-N 473.642 5.023 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1814824122 LHIKOHUWXZCHPQ-RSXGOPAZSA-N 489.664 5.082 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(Br)ccc2F)n[nH]1 1815186715 HGLDNAZDOIPNKP-YWZLYKJASA-N 491.405 5.148 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)oc2C(F)(F)F)n[nH]1 1816469262 LDEJWUATSCETMJ-SFHVURJKSA-N 464.488 5.404 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H]2CNc3ccccc3C2)n[nH]1 1817371880 LDWVOGGZOXCPML-HYBUGGRVSA-N 477.653 5.459 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(OC)c2)n[nH]1 1817741850 XIRPEINUIOEALO-DHLKQENFSA-N 499.615 5.555 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occc4c3)n[nH]2)c1 1818709065 BIXDHOICMDQAFD-HXOBKFHXSA-N 467.529 5.403 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818812869 RMEVKNKQTVKQOS-GNNUASRNSA-N 460.578 5.854 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(OC)ccc3o2)n[nH]1 1819002955 XTJPAKKXGWTLOY-CTNGQTDRSA-N 462.550 5.239 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)cc1 1819078461 BKIUJIHTHFQANX-OAQYLSRUSA-N 487.560 5.449 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cccc(O)c3cc1OC)CC2 1819604550 MQWDWSIEEFUIDR-QZTJIDSGSA-N 491.613 5.005 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821214452 LHKFTIHHRJHQSK-HXUWFJFHSA-N 474.964 5.100 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c(Cl)c1 1821278204 PIGSCMQKXUQLBM-KRWDZBQOSA-N 496.017 5.831 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821458642 YSHAJVGRSNFBFC-QFIPXVFZSA-N 476.653 5.513 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(Br)c(F)c2)[nH]n1 1821926861 XXOINYRDWBHHOP-YWZLYKJASA-N 491.405 5.148 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1)C(F)(F)F 1821992088 RCVUAADITOLFJN-LJQANCHMSA-N 487.457 5.035 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823214622 GWZOZVSRMVIWTO-VKLLJNPMSA-N 471.561 5.348 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1823685739 FXMPVQLQQCKUDC-HHHXNRCGSA-N 489.685 5.075 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)C1 1823701808 PKDSXOIWPCMSKL-MHZLTWQESA-N 485.628 5.138 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)CC2)C1 1823703438 ZGKWLQKNKHUBDN-WXFUMESZSA-N 485.466 5.139 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 1823751270 PIGNQUHMSVZUKM-JOCHJYFZSA-N 464.606 5.019 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1824499874 QVHGPUOAOJGEGA-QFIPXVFZSA-N 472.626 5.257 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(C)(C)C)c2)CC1 1825432661 IHXNIHSXLPEIDE-RPWUZVMVSA-N 451.655 5.381 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1827331638 BJNODRBJSCKIEZ-NDEPHWFRSA-N 492.623 5.476 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827855886 KACYVKTWIVNGSX-QGZVFWFLSA-N 462.459 5.052 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(Br)n2)CC1 1827920769 SICIRGBGLMIRRV-SFHVURJKSA-N 482.488 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828164164 QASNGWNYTHJONC-CTNGQTDRSA-N 473.013 5.070 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c(Cl)c1 1828517203 FONMDHYBMIWNCN-RUZDIDTESA-N 492.982 5.379 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829350060 BNVGSOUIZQVPFR-QFIPXVFZSA-N 463.544 5.102 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1829456412 DGZKILAWMUCMDY-UZUQRXQVSA-N 499.442 5.563 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Br)c3)CC2)C1 1830557697 SXVCGIBSWJGWRZ-NRFANRHFSA-N 479.846 5.302 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830632332 HYMKWSQEUOEXRP-DEOSSOPVSA-N 483.534 5.319 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1830767866 SRIVWNNFTJWXAE-VWLOTQADSA-N 472.633 5.106 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830886666 GZUVJKXTWVGEJW-HSZRJFAPSA-N 483.754 5.514 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177870 IXXARTPURKXWGF-ZBLYBZFDSA-N 473.617 5.007 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)CC1 1831229424 FVUPYOLVFNOXSP-BKMJKUGQSA-N 452.639 5.232 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1831851794 YLUBWBCDXXMVLP-QHCPKHFHSA-N 487.978 5.203 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1832550039 JRNPRCBFPXWGKA-SANMLTNESA-N 494.035 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)CC1 1836697159 YBLIYYMZHOEYHU-UHFFFAOYSA-N 487.644 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4cc(C)ccc4n3)CC2)CC1 1838207972 ILFBTQAIQQLBRU-UHFFFAOYSA-N 477.649 5.148 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1847531967 PJYNZSTXNYVXRV-IGKWTDBASA-N 481.637 5.107 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)=C(/S)Nc1c(C)cc(C)cc1Cl 10178830 BAOYYKIRWUILPL-UHFFFAOYSA-O 499.056 5.589 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179255 QNLLYFBBMVKPSH-UHFFFAOYSA-O 458.434 6.511 30 20 JKED COc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(C)c3C)=C2C)cc1 10358318 OEVQKAUXZBNZOU-AREMUKBSSA-N 482.609 5.532 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1C#N 10711273 KWKVNNFYFWLVQM-JTQLQIEISA-N 450.347 5.043 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccccc2Cl)cc1 10826204 JYGJVKCMSNCGQI-UHFFFAOYSA-O 453.971 5.012 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1 14517871 WLHRRWRGNFFEKI-UHFFFAOYSA-N 477.973 5.522 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2cccc(CC)c2)cc1 14872160 NXFAZUACBJGNOR-UHFFFAOYSA-O 482.467 6.302 30 20 JKED C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 23413003 YJYONESWYAPZQF-QGZVFWFLSA-N 461.522 5.094 30 20 JKED C=CCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2sc(-c3ccccc3)cc2c1=O 23564103 VNGDMNHEQWCWCK-UHFFFAOYSA-N 482.656 5.433 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 23602160 FLHSTJVENLJTAF-QGZVFWFLSA-N 453.633 5.269 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23604213 QSJSQCSOVSNGQA-UHFFFAOYSA-O 475.465 6.574 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 24899761 OQANKRBLNMYHRZ-UHFFFAOYSA-N 465.482 5.173 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28610627 AZUUDYFEEGYFQS-UHFFFAOYSA-N 495.601 5.498 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 28781041 VLNUDRJJYNABKG-UHFFFAOYSA-O 473.540 6.063 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cccnc2SCc2c(C)noc2C)ccc1Cl 29438163 ZAHSPJQEQKUMFR-UHFFFAOYSA-N 498.992 5.044 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)cs1)c1ccc(F)cc1F 72047160 HAILOPGNRPDCPU-ZRDIBKRKSA-N 478.524 5.805 30 20 JKED N#CCCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)c1ccccc1 104089288 VSUCZRYMRAYOGN-ZZEZOPTASA-N 477.520 5.418 30 20 JKED C[C@H](NCC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 108968483 APPRHYCUEHESOR-KRWDZBQOSA-N 472.054 5.207 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 195621579 PKNSDTRMJCNJKM-UHFFFAOYSA-N 466.394 5.946 30 20 JKED N#C[C@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 195696776 IJVHCTWGTQLJKH-MRXNPFEDSA-N 462.333 5.070 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 302944066 MAPBUVAOIAIOHS-UHFFFAOYSA-N 480.524 5.499 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)s2)cc1 302979604 JJTZSNPLJJAAMC-ZWKOTPCHSA-N 489.651 6.000 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 303334817 KJWWCDRMTVQLOA-MRXNPFEDSA-N 460.584 6.015 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCn1c(C)nc2ccccc21 409472974 ZRBNREQFSAOXSE-UHFFFAOYSA-N 459.363 5.034 30 20 JKED CCN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)[C@@H](C)c1ccc(C#N)cc1 480058739 JFOMLEKOHJAOPI-KRWDZBQOSA-N 476.374 5.796 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1)c1ccccc1 486077217 SVFWNSORAXJPBO-MHZLTWQESA-N 467.569 5.265 30 20 JKED N#C[C@@H](NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1ccc(F)cc1 498347820 GXKWKIYXJJYADG-QGZVFWFLSA-N 462.834 5.167 30 20 JKED C[C@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccc(C#N)cc1 499130848 OZIBPFUYOWMSKL-JPOGYNCRSA-N 468.538 5.884 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 499451925 JFVODHGSIVOUQH-UHFFFAOYSA-N 485.950 5.651 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 501022518 ZKBUJNQHHYJVOX-UHFFFAOYSA-N 461.421 5.404 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12 501151180 PFRVGYKEKLNDQH-UHFFFAOYSA-N 468.532 5.219 30 20 JKED O=C(N[C@H]1CCc2cc(F)ccc21)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 501564731 OVYIBVUQTAOSSO-KRWDZBQOSA-N 457.349 5.466 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C(F)(F)F)c1 501588704 LICCZEGVHPRPBB-HNNXBMFYSA-N 463.529 5.217 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3CSc3nc4ccccc4[nH]3)CC2)c1 502244866 QWXDPXSWJUXBKE-UHFFFAOYSA-N 495.608 5.218 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(-n2cncn2)cc1 503833310 SJTQNBGELZTEPL-HXOBKFHXSA-N 456.937 5.459 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCSc2ncnc3sc(C)c(C)c23)cc1 508149593 SYGHVBUPWYCUTA-UHFFFAOYSA-N 466.632 5.243 30 20 JKED COc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OCC(F)(F)F 508299183 XWMRWQAILUCYQE-UHFFFAOYSA-N 456.420 5.339 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1Cl 510211660 VRMXYADSPUIXNU-XUZZJYLKSA-N 494.378 5.187 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 510228121 KTTIAATUOGAFNN-HXUWFJFHSA-N 487.625 5.762 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)N2CCCCC2)cc1 511502813 FXLFYHKSJOMREB-HHHXNRCGSA-N 497.599 5.168 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(OC(F)F)cc1 511515348 VQEPZLHGMGFVEU-HNNXBMFYSA-N 450.445 5.295 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 512327866 ILJGVFDLIYNONC-UHFFFAOYSA-N 489.506 5.341 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(OC(C)C)cc2)nnc1-c1ccc(Cl)cc1Cl 514534035 IWDRFRVEHHWZHU-UHFFFAOYSA-N 491.444 5.634 30 20 JKED N#Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)c1 515147173 ZCLVQHFDKLLHKN-HXUWFJFHSA-N 477.351 5.233 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515447114 RLQPHOHFWSMYTK-UHFFFAOYSA-N 460.559 5.417 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2csc3ccccc23)cc1Cl 515939331 ZRMCROARYGALCD-JOCHJYFZSA-N 473.985 5.508 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 517469903 MKYKVSQYWOPCBI-UHFFFAOYSA-N 460.584 5.005 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1Cl 517821588 TUCACHZKXXKMER-XMMPIXPASA-N 494.016 5.007 30 20 JKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)oc2ccccc12 517823156 YZIWPAJTOHIPDD-VGSWGCGISA-N 471.944 5.866 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 519418877 GZDMCQQGQDWPNB-CQSZACIVSA-N 458.996 5.656 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CN3C(=O)NC(C)(C)C3=O)c2C#N)C(C)(C)C1 521211897 ZTAWVCBICQZGAS-VOTSOKGWSA-N 494.642 5.037 30 20 JKED Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 521325648 WSYXEWMOULTBDE-UHFFFAOYSA-N 455.583 5.943 30 20 JKED Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1 521748733 ZSDBSGKNLHDMFU-HXUWFJFHSA-N 472.614 5.499 30 20 JKED N#Cc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(Br)cc3)cs2)nc1 522111299 OVRWXXLKKHQLIU-UHFFFAOYSA-N 475.371 5.686 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2csc3ccccc23)cc1 523636955 AHCNKBCGMBSQEE-UHFFFAOYSA-N 471.538 5.171 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2F)c1 524455341 QMEIKEWXAUEHKQ-UHFFFAOYSA-N 481.409 5.128 30 20 JKED Cc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1cccc(C(F)(F)F)c1 524572568 GREBJEWDZBSQMZ-QGZVFWFLSA-N 453.251 5.501 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 596363311 QUVUBTGTPZOQSX-SFHVURJKSA-N 488.523 5.383 30 20 JKED CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 603448639 AMIGTKHZJZDQAI-UHFFFAOYSA-N 486.597 5.526 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 603766057 LLMVHWQAHMKDCN-OAQYLSRUSA-N 474.973 6.232 30 20 JKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1C 603775914 YVAITGQERLFTDR-UHFFFAOYSA-N 473.627 5.848 30 20 JKED N#C[C@@H](C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838947 VBNKMGLLJQEMBS-ZDUSSCGKSA-N 457.298 5.996 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2Cl)cc1 604089758 JHEVJJWNMKMOMR-GOSISDBHSA-N 472.932 6.557 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 604158902 CNADHKJOYRYICD-LJQANCHMSA-N 497.580 5.008 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(NC2CCCCC2)cc1 604538963 DEXAFIMVVBNNGX-UHFFFAOYSA-N 472.383 5.482 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(I)cc2Cl)cc1 609057835 XDJZNGFDKGHDCZ-UHFFFAOYSA-N 478.639 5.021 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)[C@@H](Oc3ccc(Cl)c(Cl)c3)c3ccccc3)CC2)nc1 609327079 OLYJJVULEBYHJN-DEOSSOPVSA-N 481.383 5.165 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 609370937 KQVUINXAIHBGEK-SFHVURJKSA-N 489.626 5.569 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c(OC)c1 609402034 WJURNAUKSBZUPC-KRWDZBQOSA-N 469.607 5.376 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 609406617 YSBKOIITUXDCIH-GOSISDBHSA-N 470.038 5.549 30 20 JKED CCOc1cc(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 616090236 RVDBQQJJGXFRCA-ITGUQSILSA-N 478.380 5.395 30 20 JKED O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300810 FXKZKJCXLCLNHC-AOOOYVTPSA-N 477.302 5.233 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2c(F)cccc2F)n1 726321428 JWEQLNVCVUMQCK-GFCCVEGCSA-N 452.269 5.356 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406699 LUMVEGXFXMSJBO-OPAMFIHVSA-N 489.988 5.328 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)sc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 726572958 RYFAENHINQSALT-UHFFFAOYSA-O 481.666 6.548 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC2CCC2)cc1Cl 726889848 HSTOFZXDDCFSOX-HXUWFJFHSA-N 475.973 5.248 30 20 JKED COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 727102433 PVYYKSRAUUHYIC-VSGBNLITSA-N 475.548 5.460 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 728248411 LTLJSDFQPAOHMY-UHFFFAOYSA-N 458.508 5.032 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 728424685 GOTSZVDZNLHPRT-MHECFPHRSA-N 483.597 5.237 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)cc1 728777186 JIDXLOWGXUTMGC-NRFANRHFSA-N 484.025 5.060 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)cc1 728780578 UTLUXIFLCRYDNM-NRFANRHFSA-N 470.545 5.181 30 20 JKED Cc1cc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c(C)n1-c1ccc(C#N)cc1 728867629 PWFHPRKRCNGGME-UHFFFAOYSA-N 482.506 5.474 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1Cl 729446870 QATLGOOZEQZVQI-UHFFFAOYSA-N 474.026 5.123 30 20 JKED CN(C[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1)C(=O)OC(C)(C)C 729558156 CUZNGOCLGNCYJN-NRFANRHFSA-N 478.593 5.052 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1c(C)noc1C 730441583 IEJQBLZALOCSHN-JOCHJYFZSA-N 476.602 5.111 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CC2)C1=O)Nc1ccc(SC(F)F)cc1 730503215 NUGQJGNXEBVWCS-QGZVFWFLSA-N 465.522 5.263 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1 730714120 CMKGEJVPRQSTPQ-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2cocn2)cc1 730720767 VJOJVELZINMFJF-LJQANCHMSA-N 488.491 5.162 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2ccccc2c1 730726303 ZATMSGMTEZVVBI-WZONZLPQSA-N 499.596 5.204 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)c1 730738009 TWCXLCIHMFDLGI-UHFFFAOYSA-N 464.388 5.169 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 730990110 SJKHYNSGFQFMGN-VUFYJBQKSA-N 487.697 5.620 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(SC(F)(F)F)cc1 731063356 MNWZTWRFILDKFR-ZDUSSCGKSA-N 454.495 5.346 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 731075633 GNWHQCYGZWXXCP-FQEVSTJZSA-N 496.592 5.729 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 731078624 RKNDXEIZGOIWKF-HUUCEWRRSA-N 465.402 5.606 30 20 JKED COc1cc(/C=C/C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1OCc1c(C)noc1C 731198953 RMCXYSMPCFBKBQ-LTBVCIIGSA-N 473.573 5.571 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1 731311330 BJIILFAMLGGVOR-JOCHJYFZSA-N 495.626 5.401 30 20 JKED C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2F)C[C@@H](C)O1 731400877 WRKSQSAGLSSHNC-KZNAEPCWSA-N 456.587 5.155 30 20 JKED CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 744766738 RPQJADAMVXCWEW-RUZDIDTESA-N 480.534 5.957 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 746663091 AOMPXLPXOCRQFN-ZSJNXGHDSA-N 496.658 5.356 30 20 JKED CCCCCCCC(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1F 746792204 QRDCYIIEYRJNME-UHFFFAOYSA-N 482.337 5.982 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)cc1 747603323 SGLBJJKXVQLOQC-OAQYLSRUSA-N 496.633 5.609 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4nnn(-c5ccccc5)c4C)c23)cc1 747612072 UAVMTIDILXXNRQ-UHFFFAOYSA-N 455.547 5.092 30 20 JKED CC(C)COC[C@H](c1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 750915303 DLLCGJCYLCLOON-ISKFKSNPSA-N 491.613 5.654 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)nc(O)c2C#N)cc1 824941897 SSJQIMVBIVRGSX-OAHLLOKOSA-N 462.575 5.146 30 20 JKED C=CCn1c(SCC(=O)OCc2csc(-c3ccco3)n2)nnc1-c1ccc(Cl)cc1 825170007 WIVQYRSVXXFDBB-UHFFFAOYSA-N 472.979 5.337 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1ccc(F)c(Cl)c1 837536639 APUQFBINKKCTST-OAQYLSRUSA-N 482.968 5.077 30 20 JKED C=C(C)Cn1c(SCc2nc(Cc3coc(-c4ccc(OC)cc4)n3)no2)nnc1-c1ccco1 904332588 QTIDYKYUZCRDFK-UHFFFAOYSA-N 490.545 5.044 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(NC(C)=O)c1 913120535 KASSDDLDRREHJV-QHCPKHFHSA-N 480.634 5.412 30 20 JKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 913367456 IKWWRQKGMDWHBY-UHFFFAOYSA-N 470.978 6.020 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3sccc3C)C2=O)c1 914546352 NYUJBTQIWBMOKT-HXUWFJFHSA-N 465.600 5.226 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914690880 IJXGDHLRXFGGKY-SCLBCKFNSA-N 495.642 5.294 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc([C@@H](C#N)c5ccccc5)cc4)nc(O)c23)C1 915087562 VHIXGSXWBWNTPU-JTSKRJEESA-N 482.609 5.748 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2ccccc2Cl)n(-c2ccccc2F)c1=S 915795752 LBAQVOXUQXPKJE-UHFFFAOYSA-N 478.984 5.631 30 20 JKED Cc1sc(=O)n(CC(=O)N2CCSC2=Nc2cccc(Cl)c2C)c1-c1ccc(F)cc1 915812016 GLNCXSOTHRLXGI-UHFFFAOYSA-N 475.998 5.249 30 20 JKED C=CCN(C(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 915814458 RJKDAFKDKOQXAI-UHFFFAOYSA-N 496.936 5.200 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1ccc(C(F)(F)F)cn1 915917811 PMQGEAZOAWTELN-UHFFFAOYSA-N 475.430 5.506 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 916205772 LMOJZSFUFIZLRZ-KRWDZBQOSA-N 453.461 5.215 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccccc1Cl 916209357 KCMWUCNLIXRGJV-HXUWFJFHSA-N 475.998 5.118 30 20 JKED Cc1cc(/C=C\C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1C1CCCCC1 916847434 PCWZSOUMXRERHB-SQZREULQSA-N 474.630 6.089 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c3c2CCC3)cc1 916906513 CUAZXVKOJHKXCV-HSZRJFAPSA-N 476.536 5.423 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 916907673 KEWOXOMMUXZIPM-KRWDZBQOSA-N 491.429 5.040 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 916925839 PEVCSKQJMBWGEA-QFIPXVFZSA-N 469.516 5.653 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928928 YTDIEOZGODNDOW-CQSZACIVSA-N 498.160 5.075 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916936448 KWDNZOZMIBQIFA-MRXNPFEDSA-N 452.829 5.092 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1nc2cc(Cl)ccc2s1 917046096 FHRBIVOLCITRNC-CJNGLKHVSA-N 489.931 5.280 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1[N+](=O)[O-] 917665026 QNKBCRCGIDHHIM-JOCHJYFZSA-N 492.532 5.203 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(Cl)cc1 917678871 QQNJYUBIJVSNHD-SFHVURJKSA-N 499.942 5.356 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccnc(C)n3)C2=O)c1 917680051 ASANAUNRBMFANY-QFIPXVFZSA-N 494.020 5.216 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C#N 917701905 BBKCSYBFRADGKX-HXUWFJFHSA-N 454.983 5.281 30 20 JKED COc1cc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 919458770 LIKYALGMDWELJD-UHFFFAOYSA-N 489.553 5.151 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1Cl 919666272 JDTZGIOFIIUIQQ-FQEVSTJZSA-N 495.988 5.333 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3Cc3ccccc3)n2)cc1 920140677 AVSCMXOQCNKUFZ-QHCPKHFHSA-N 454.551 5.665 30 20 JKED N#C[C@H](C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1nc(-c2c(F)cccc2F)cs1 920806729 OUCKTONEKSAYEQ-MRXNPFEDSA-N 467.497 5.008 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 920870021 RDTXRPRLQOVUIQ-JPYJTQIMSA-N 461.587 5.083 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1C 920894989 ZZFJPFCNFQCFOO-UHFFFAOYSA-N 461.909 5.141 30 20 JKED CCOc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1OCC 920988152 WUXWHDUZYLNRAW-UHFFFAOYSA-N 467.378 5.132 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)cc1 1442233912 NKTMWOBHZXVSCA-UHFFFAOYSA-N 452.392 5.220 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccc(Cl)cc3)CCCCC1)C2 1781744401 DUPXERBEKRKICE-GNMGOMLTSA-N 487.084 5.268 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@H]4NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785810076 ACPOSXLWJRLTHE-RKGYPADOSA-N 493.648 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C5CC5)on4)cc3)CCC2)c1 1785967472 AZALRBUMALZKTK-QGZVFWFLSA-N 454.530 5.241 30 20 JKED Cc1nc2ccc(F)cn2c1C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786041244 FDUQRMUVSSJISF-UHFFFAOYSA-N 495.558 5.034 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCc3cccnc3C)cc2)CCC1)c1ccc(O)cc1 1786745720 XHDDPKWCBPTRSH-VWLOTQADSA-N 495.623 5.360 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccccn4)cc3)CCC2)cc(C(F)(F)F)c1 1787296662 MCHPYSHSJDREJE-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)CCC1 1788524329 FAEGFJFPGVCUPB-FQEVSTJZSA-N 483.653 5.512 30 20 JKED COc1c(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)ccc(F)c1F 1788649879 FCFBLTVXOAZDAH-VAWYXSNFSA-N 496.535 5.222 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789188923 DVZQEALCBNSVPM-RTWAWAEBSA-N 483.653 5.370 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1 1789255544 XAYJGWSEBMFRMD-UHFFFAOYSA-N 454.617 5.693 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)(C)C)oc3C)CCC2)cc1 1789494996 SXSJRTMGZQJVSQ-NRFANRHFSA-N 452.595 5.206 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c(C)n1C 1789977816 SKNMOHORCFSAIW-SFHVURJKSA-N 454.574 5.331 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C5(C(F)(F)F)N=N5)cc4)CCC3)cc2)c1 1790148416 UYGKSVNADSIDHB-UHFFFAOYSA-N 492.461 5.129 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCS4)CCC3)cc2)ccc1Br 1790744779 RFTIPCAETDFRQF-UHFFFAOYSA-N 482.403 5.089 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4cn3)cc2)CCC1)c1ccc(O)cc1 1790834774 SYMGBVBFECUGIM-NRFANRHFSA-N 493.563 5.478 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C(F)(F)F)c3)CCC2)cc1 1791301043 LFNMWTMQFZGXEQ-UHFFFAOYSA-N 481.465 5.379 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCSCc3ccc(C)cc3)cc2)CCC1 1791502259 UCPGDWBYVDISTD-OAQYLSRUSA-N 481.662 5.553 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)CCC(F)(F)F)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682147 QCHRABWFSIQMHB-IBGZPJMESA-N 495.542 5.029 30 20 JKED CSc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)cc1 1791736512 SACNJHPQKCBGPH-UHFFFAOYSA-N 495.608 5.147 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(OC)ccc3Cl)cc2)CCC1 1792084096 PUEGUTMAFBCKTO-UHFFFAOYSA-N 456.970 5.079 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4COc5ccccc5O4)CCC3)cc2)c1 1792123203 NQDODKNRJQOLTF-CPJSRVTESA-N 495.579 5.291 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccn5ccnc45)CCC3)cc2)c1 1792123443 AQVBTQSWVUKWBL-LJQANCHMSA-N 463.541 5.023 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1Cl 1797876880 SOWBWGHHEGZTFS-FKOZLKKJSA-N 454.014 5.070 30 20 JKED Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(C#N)cc3Cl)c[nH]2)cc1 1800688893 SECMAHITYHQJBR-KOUNCHBCSA-N 472.976 5.081 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2oc(-c3ccccc3)cc2[nH]1 1801078732 BLENUPCNEABKON-KOUNCHBCSA-N 457.574 5.448 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)Cc3ccccc3Cc3ccc(F)cc3)[C@@H]2c2cccnc2)C1 1802414287 QIEVFLHPYKJIQG-PDDLMNHVSA-N 497.614 5.026 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3cc(C)[nH]c23)[C@@H]1c1cccnc1 1802496522 JDTOHAKCSGQWHE-WIOPSUGQSA-N 458.606 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1802501653 PWNQKBLQZSWWPC-JHMXWDHMSA-N 465.613 5.098 30 20 JKED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1803563213 JAZVILMSURVMFK-WJCNIZOSSA-N 489.660 5.125 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)C1 1805045857 IACUAIUVWBMDCB-UHFFFAOYSA-N 465.544 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)C2)CC1 1805610684 PEDGDBBQTJQZBT-SFTDATJTSA-N 458.593 5.292 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)COc4ccc(Cl)c(F)c4)C3)CC2)c1 1805934908 NIENZQUKXKUPOV-LJQANCHMSA-N 497.998 5.030 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C4(c5cccc(F)c5)CC4)C3)CC2)c1 1806617045 QNCFWZRWTHKPJG-NRFANRHFSA-N 473.592 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1809306696 UINNRADRAJSXRN-WEWMWRJBSA-N 468.601 5.026 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(F)c(Cl)c3)[C@@H]2c2cccnc2)cc1 1811788994 QTBKVFQDGYPSKA-JPYJTQIMSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1811794836 UXACGLUIPHHAJQ-LEEZEASISA-N 496.995 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3c(F)c(F)ccc3c2)[C@@H]1c1cccnc1 1812243412 YXCOEDCEWNHONO-NLFFAJNJSA-N 492.570 5.220 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@H]1c1cccnc1 1813228538 XDYMOAAYSSQOED-NLFFAJNJSA-N 498.454 5.320 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1813229617 VNZILQCRRCJSFR-NVQXNPDNSA-N 478.036 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccnc1 1813749809 GJLDWBDARZBKHT-CVDCTZTESA-N 470.013 5.056 30 20 JKED C#CC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814162367 ROKQOEIUNYUAME-WNJJXGMVSA-N 459.634 5.084 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)c(F)c3)[nH]n2)C1 1814393714 KGJPEZOMVVMQCX-QFIPXVFZSA-N 477.515 5.022 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1815655763 ZARDUPQUUILNBT-LJQANCHMSA-N 479.631 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)[nH]n1 1819302559 IFZZERYRNZAYDI-FXAWDEMLSA-N 474.577 5.241 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2OC)[nH]n1 1819552276 HUNCAVUHPSXFDA-NRFANRHFSA-N 452.599 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)[nH]n1 1819555822 DCWIAAICKDZRQA-HXUWFJFHSA-N 473.017 5.299 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)c(F)c3)n[nH]2)CCC1 1820239022 QAORGBNGDMIFAC-QHCPKHFHSA-N 471.536 5.216 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)cc1 1820905741 VARINODWGNNCLO-DQRYEYLNSA-N 459.594 5.043 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1820966242 FMJMQTZNYFGHSQ-OAOOKAIFSA-N 488.032 5.296 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1)c1ccccc1 1821178776 GPWXITVVSOMXGO-AHWVRZQESA-N 469.589 5.221 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)n[nH]1 1821849218 GFGGYXRZHCOTIS-CTNGQTDRSA-N 474.527 5.432 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)[nH]n1)C(F)(F)F 1821993456 ZZWAAVCYNXLFFK-HNNXBMFYSA-N 492.832 5.089 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2c[nH]c3ccc(F)cc23)n[nH]1 1822257725 HISIZLYHHZKBNR-YKSBVNFPSA-N 477.584 5.423 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccccc3Br)CC2)[nH]n1 1822581105 JKSGJHDIIQOFTK-OAQYLSRUSA-N 497.437 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c1 1823218583 SXXJNDCPJYLVLK-QRQCRPRQSA-N 479.943 5.449 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)c1 1823218758 WJWMBVSZRNYWKK-AOMKIAJQSA-N 495.505 5.675 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCNc2ccc(C)cc2C)CC1 1824142176 HHZCCCGWNUNFBZ-HHHXNRCGSA-N 465.682 5.494 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1824541712 JHTFLZGIWIFVKZ-UXHICEINSA-N 496.599 5.055 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F 1824836886 ILINEBDBAPNHAE-IBDYFIJFSA-N 488.472 5.457 30 20 JKED Cc1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1825845586 OSJCWEDPKIZSLY-SSEXGKCCSA-N 491.635 5.337 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826510566 CBTIHZIZSFWBPX-HXUWFJFHSA-N 472.498 5.079 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1827172143 ITEYVROCCABTQA-MNNSJKJDSA-N 496.655 5.661 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc([C@@H](C)C#N)c3)sc2C1 1827691799 VZBYFLPUQLJEBY-ABSDTBQOSA-N 490.654 5.177 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c1 1827780654 OPYQNQDWPGZFAU-NRFANRHFSA-N 473.495 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc3c(c2)CCCO3)CC1 1829066852 WTLZVYRGZMSASB-RUZDIDTESA-N 466.666 5.166 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1829068689 KTTVCSIRMAHUTH-QHCPKHFHSA-N 469.626 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)CC1 1829070684 LXKNLWZLNZBGBU-JOCHJYFZSA-N 491.717 5.149 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c1Cl 1829447293 UXEHCBPTRKSTHU-LJQANCHMSA-N 476.429 5.474 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829821970 PFOIWUYXKQVMOJ-HFZDXXHNSA-N 489.664 5.201 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3F)CC2)cc1C#N 1829893188 OTSNBLRXJOKBRE-XMMPIXPASA-N 495.570 5.171 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3Br)CC2)c1 1829950505 JBXDDBNKSVBZDW-HSZRJFAPSA-N 498.396 5.007 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc4c3CCCC4)CC2)c1 1829954430 ARVKLUFWBHBMFD-XMMPIXPASA-N 461.631 5.046 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)C1 1830680582 VSJRJVNPIXACQG-HHHXNRCGSA-N 482.628 5.429 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)c1 1830697860 JXHFSLRBIGOWEL-AMGIVPHBSA-N 487.644 5.486 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)CC1 1830717187 GWXYCNCITMIVQJ-OPJGWUQDSA-N 453.602 5.147 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)c1 1830770712 GWZMNQAJEIDXRF-VWLOTQADSA-N 480.008 5.076 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831236165 WXQYUUNJQDXOFK-YOSAUDMPSA-N 494.598 5.106 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 1831369173 HDGUQEDXHBTANL-CVDCTZTESA-N 499.055 5.155 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1 1831747824 WYYKBZMUAVGQEH-ILBGXUMGSA-N 476.752 5.192 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1831849396 VLWXBNREKDAMCT-AREMUKBSSA-N 457.618 5.094 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1831858660 CXHOIMDTGQTFOE-LJQANCHMSA-N 475.452 5.473 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1832028038 DOROQABSLNFAPM-HSZRJFAPSA-N 499.030 5.092 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC=CCC1 1832406048 FIFRMQNRVYXLNE-ZEQKJWHPSA-N 454.014 5.191 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1832629264 MKMADSMSGXXLDJ-CLOONOSVSA-N 477.580 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3occc3Br)CC2)c1 1832630393 HQPRPKZQHQGVQG-JTSKRJEESA-N 498.421 5.216 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3)CC2)c1 1832633901 GBZHDDLYDCOFKR-CUNXSJBXSA-N 457.618 5.180 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccn(-c4ccccc4)n3)CC2)c1 1832634736 ZCUIWIYUFROWDG-SKCUWOTOSA-N 495.627 5.046 30 20 JKED CC#CC[C@@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)CC1)c1ccccc1 1835796437 JQUHCNMHNPFECZ-SSEXGKCCSA-N 499.699 5.192 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 1838374016 ZOWPYIZYYKVSFU-SFHVURJKSA-N 485.477 5.436 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(CC)CC)cc2)cc1 10173528 NOBLEZFGHHVSCY-UHFFFAOYSA-O 467.605 6.769 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10753635 FZASJULOBXEFAB-UHFFFAOYSA-O 468.788 6.433 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 14101709 XKHQOGFJNSZDFR-UHFFFAOYSA-N 451.552 5.068 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)=O)c1 20836117 KHHUFTONESGOOC-UHFFFAOYSA-N 468.962 5.176 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCc3sccc3C2)nc2sc3c(c2c1=O)CCCCC3 21731956 BFGUIWKAWWJCTO-HNNXBMFYSA-N 485.700 5.040 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1cccc(C)c1 21991354 NRIWFPUTGPHQNE-UHFFFAOYSA-N 492.586 5.202 30 20 JKED C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 22283412 DVYYSXWMOSTSHF-CQSZACIVSA-N 467.620 5.584 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22695496 CPCJMPAXUOHOEZ-UHFFFAOYSA-O 461.651 6.338 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23604003 SUOUBATVFNVOJC-UHFFFAOYSA-O 475.037 6.214 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3)o2)cc1 23617694 KFBNWIRRFFNWJN-INIZCTEOSA-N 456.955 5.038 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccccc2C)c1 24220669 HMWZYPMGCIPPRQ-UHFFFAOYSA-N 499.032 5.181 30 20 JKED C=CCn1c(SCc2csc(Nc3ccccc3)n2)nnc1[C@H]1COc2ccccc2O1 25677117 NJFQMTCQEQJTSC-HXUWFJFHSA-N 463.588 5.469 30 20 JKED C[C@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C(=O)N(CCC#N)c1ccccc1 26701948 KELQWIPAHQMPSI-HNNXBMFYSA-N 478.574 5.218 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793423 RALIEQVSBJLPNT-UHFFFAOYSA-O 492.665 5.753 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccccc2Cl)cc1 28793590 DULHXNRIECQPFD-UHFFFAOYSA-O 497.084 6.730 30 20 JKED N#CCSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 29487277 MSFDBUJJZODOKW-UHFFFAOYSA-N 457.964 5.009 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OCc1ccc(F)cc1 32042055 QHWZBDGZSFTPQO-HUUCEWRRSA-N 463.393 6.044 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)ccc1Cl 45633650 WVBWMPMIPKHTGC-UHFFFAOYSA-N 484.025 6.044 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(Cl)cccc1C(F)(F)F 103868450 XYJBUSBXXUZZSF-UHFFFAOYSA-N 465.699 6.414 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)o2)cc1 105440964 JOMUURFKKUROTN-UHFFFAOYSA-N 461.572 5.237 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)nc2)ccc1Cl 195544712 AFXCTQIDWWXGIS-UHFFFAOYSA-N 490.412 5.042 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 208024079 XUULFAWDTWWZPJ-RAXLEYEMSA-N 460.486 5.216 30 20 JKED N#C[C@@H](C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)c1nc(-c2ccccc2)cs1 247778941 ZRZJZBFQMRZFLL-IBGZPJMESA-N 484.631 6.450 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 252467326 CVROYBWFDFRILS-NRFANRHFSA-N 494.960 5.409 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1c(C)cccc1C 302766711 KITTZQPUWWSAOI-QGZVFWFLSA-N 456.999 5.433 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 303145333 FEONTZONWSBDBR-HNNXBMFYSA-N 498.402 5.027 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3I)cc2)c1 303230909 XRUUVJAINULPDR-UHFFFAOYSA-N 472.257 5.133 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 410044711 WKTOFCSVJCBYBV-UHFFFAOYSA-N 471.564 6.123 30 20 JKED Cc1ccc(-c2noc(CCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)n2)cc1F 488029509 UYACNONRHXTNQL-UHFFFAOYSA-N 472.495 5.357 30 20 JKED COc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Br 490243896 LXJPGQKACLBMJG-WAIKUNEKSA-N 464.363 5.479 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 497879635 BRBKBTVWYHFCPH-QGZVFWFLSA-N 462.512 5.340 30 20 JKED N#C[C@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1 497901578 IMXKYTVWNGHADG-QGZVFWFLSA-N 472.538 5.295 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CC3(CCCC3)c3c(F)cccc32)CC1 501856613 KAGHCMZUSCZARJ-UHFFFAOYSA-N 460.509 5.020 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)nnc1-c1ccc(Cl)cc1 502067779 HDTAFQYZXXLPSQ-OAQYLSRUSA-N 485.009 5.073 30 20 JKED Cc1cc(C)c(-c2cc(NC(=O)Cn3cc(C#N)c(=O)c4ccccc43)n(-c3ccccc3)n2)cc1C 502585730 QKZBITIWPHFSCH-UHFFFAOYSA-N 487.563 5.290 30 20 JKED N#Cc1cn(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c2ccccc2c1=O 502586895 WOVIQWJTSQDJOL-UHFFFAOYSA-N 474.314 5.067 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(Oc4ccccc4)nc3)c2)c1 503054744 OIWCZKKGRFRESA-UHFFFAOYSA-N 463.497 5.320 30 20 JKED CCCC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 503567180 NOCMWCCOXNBTTR-AHWVRZQESA-N 490.003 5.990 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1[N+](=O)[O-])c1ccccn1 507050253 DKTPOQWVXZFWNY-IBGZPJMESA-N 493.523 5.866 30 20 JKED C=CCn1c(SCC(=O)N(CC)Cc2c(F)cccc2F)nnc1-c1ccc(Cl)cc1 509256341 IXERWVWPHIHZPY-UHFFFAOYSA-N 462.953 5.204 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 509724999 RFAFZBUOSGUOKS-RXWSAZGZSA-N 485.584 5.369 30 20 JKED COc1cc([C@@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1OCc1ccccc1 511204971 LUHIAFMKAOSVGI-OAQYLSRUSA-N 485.584 5.460 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 512530050 FCYPMPKSGFUZHD-UHFFFAOYSA-N 469.497 5.795 30 20 JKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 513542600 GRMQRJOGYSCLNV-RUZDIDTESA-N 461.993 6.456 30 20 JKED C[C@H]1C[C@@H](C)CN(c2nnc(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)C1 514326600 XUVWFNZHHOTINT-BBWFWOEESA-N 499.040 5.046 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1Oc1ccc(OCC)cc1 516447289 FRMJGYGNEZDZQV-UHFFFAOYSA-N 457.530 5.127 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cn1 517117777 VTOQTYDPVBWVLH-UHFFFAOYSA-N 458.518 5.138 30 20 JKED C=CCN(C(=O)c1ccc(SCc2csc(C)n2)cc1)c1nc(-c2ccccc2)cs1 518171257 OXFOZSUZSVPNAT-UHFFFAOYSA-N 463.653 6.700 30 20 JKED COc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c3ccccc3n2)cc(OC)c1OC 519251688 PYTUIJJUHAWUHI-IBGZPJMESA-N 495.560 6.027 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 519911616 QTDXXLZFTPKTTJ-UHFFFAOYSA-N 494.517 6.519 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 520814039 ZHCHTJCTVFQPEY-QGZVFWFLSA-N 488.613 6.418 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N 520843101 LAKRXLBTNNYUKK-CQSZACIVSA-N 468.579 5.079 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 520854178 FRISZUMRIUHRKF-DLBZAZTESA-N 473.440 5.349 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1S(=O)(=O)NCc1ccccc1 520928755 GETHZTKETVLIOH-IBGZPJMESA-N 479.627 5.120 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ncc(-c4ccccc4)o3)cc2Cl)c1 521427103 AWHLQJRLDMUBMU-UHFFFAOYSA-N 458.905 5.767 30 20 JKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1ccc(C(F)(F)F)cn1 523251512 XQQFDPJFYOOCHS-SFHVURJKSA-N 470.447 6.768 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 523707276 SIAWRJXIYZTDKR-UHFFFAOYSA-N 450.523 5.609 30 20 JKED CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524439225 MMNGAJJUPHPFBH-HXUWFJFHSA-N 463.921 5.094 30 20 JKED Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c2nc3ccccc3s2)c(C)c1 524464065 WDDQHGLZUNVNSJ-UHFFFAOYSA-N 490.610 5.084 30 20 JKED Cn1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(-c2ccccc2Cl)n1 553481252 LADCORQNCXTPAB-FQEVSTJZSA-N 461.352 6.302 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)cc1 589941661 FJGDIRBZQMJJQC-UHFFFAOYSA-N 493.976 5.241 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1cccc2ncccc12 596533206 ACNFSOBBAAWQQE-OAHLLOKOSA-N 478.459 5.243 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c([N+](=O)[O-])cc1OC 603613582 CRRGWVMGTNCJHY-LBPRGKRZSA-N 465.409 5.121 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)cs1 603718738 TUYGZWUTBFSGGX-GOSISDBHSA-N 496.592 5.385 30 20 JKED C=CCN(C(=O)c1cccc(OCC(=O)OC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 603951934 VJLCGRCLWOZCNC-UHFFFAOYSA-N 477.369 5.502 30 20 JKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1NC(=O)c1ccccc1F 603996825 XTSFOZQUKLEVBL-UHFFFAOYSA-N 461.562 6.231 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 604421054 SLNQNNAKBQANBX-GJZGRUSLSA-N 499.411 5.315 30 20 JKED N#Cc1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nc2c(c1-c1ccco1)CCC2 608801086 SKTQVSWIGZHDSZ-UHFFFAOYSA-N 469.353 6.351 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 609061303 NLKUVOCDYQYLKK-UHFFFAOYSA-N 473.536 5.491 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccccn3)cc2Cl)c1 609079627 DORWXGYJPFDVSN-AREMUKBSSA-N 468.944 6.097 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc2ccccc12 609083837 KOYJGSVRFYACEV-GOSISDBHSA-N 483.955 5.760 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609177367 QOSUTIITTFMENN-UHFFFAOYSA-N 492.329 5.401 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(C(F)(F)F)nc2ccccc12 609370642 JUIKYRDYZFRVKJ-ZDUSSCGKSA-N 462.522 5.631 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)c(Cl)c1 609403918 KRGPFUXPDYUIQM-KSSFIOAISA-N 464.418 5.841 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 615491174 ILIQPNGUZHZGKS-UHFFFAOYSA-N 479.602 5.131 30 20 JKED O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622459759 YPTGFQZTMGLXIT-JTDSTZFVSA-N 480.399 6.021 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 685015115 DBTAYOPMRULNDB-UHFFFAOYSA-N 466.607 5.177 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726117337 XIYSSMLWGNOMRZ-KKSFZXQISA-N 497.646 5.003 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 726403105 YLKPEYXGAHNWQW-FDDCHVKYSA-N 461.587 5.225 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCCOC1CCCC1)c1cccs1 726420191 HQGYBZWNOWYJIT-REXWVETOSA-N 485.675 5.487 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccs1)c1cccs1 726421296 LZQQIFKPGMSUJN-CJCAPXLESA-N 455.630 5.400 30 20 JKED C[C@@H](NC(=S)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1Cl 726487426 NVNWUPAUSOBWMX-CQSZACIVSA-N 461.418 5.151 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)c(Cl)c2)c1 726571969 PWXCIGMDIVVPKX-UHFFFAOYSA-O 475.808 6.438 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC)c(Cl)c2)N(CC)C1=O 726891713 QFFRYMQBBUHZOQ-HXUWFJFHSA-N 475.998 5.118 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 727304524 FBCWKLSNORHKID-MHZLTWQESA-N 466.585 5.245 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2Cl)c1 728122033 UTCNEWNIKHSJMQ-HSZRJFAPSA-N 491.975 5.709 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1C 728421479 VUXUYYZRCDFJJR-DVECYGJZSA-N 483.597 5.292 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2C#N)ccc1F 728424702 GWKKASAKTVLMSH-XMMPIXPASA-N 497.555 5.038 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 728438375 DPXZFJLOABQRGR-RMKNXTFCSA-N 489.421 5.472 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)cc1 728777722 NFCJQFBXEGORSF-JOCHJYFZSA-N 466.582 5.603 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)c1Cl 728778914 VZZMYYMNZYBJNK-GOSISDBHSA-N 489.428 5.956 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c1C 729143315 PITISPGPPRRCIX-HXUWFJFHSA-N 464.616 5.229 30 20 JKED CN(CC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1)C(=O)OC(C)(C)C 729571682 KWCSJNLETBOBMC-UHFFFAOYSA-N 464.566 5.461 30 20 JKED CCCOc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1OCC 730584706 YUXQNFZVUXDSQV-UHFFFAOYSA-N 481.405 5.522 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731067917 LNQQMWDDTFRYGR-CQSZACIVSA-N 469.563 5.447 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(-c2c(F)cccc2F)n1 731079309 YYRVDZAYZMDUJF-ZDUSSCGKSA-N 473.526 5.136 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc3ccccc3c2)n1 731313439 XPJCBIKIYFFDMA-VWLOTQADSA-N 496.592 5.409 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cc3ccccc3[nH]2)C1=O)NC1CC1 746696143 KFIRZQZUNCFJJT-FQEVSTJZSA-N 487.412 5.275 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCOC(C)(C)C)C2=O)cc1 746697622 IFXHDKAKUQSGRW-JOCHJYFZSA-N 499.608 5.112 30 20 JKED C[C@H](C#N)CN(C)Cn1nc(-c2ccc(F)cc2)n(-c2ccc(SC(F)F)cc2)c1=S 746705609 JLOITMSMYWLSME-CQSZACIVSA-N 463.554 5.573 30 20 JKED N#CC1CCN(Cn2nc(CSc3nc4ccccc4s3)n(-c3ccccc3)c2=S)CC1 747078932 MRRXTYNERJSASW-UHFFFAOYSA-N 478.672 5.498 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OCCCC#N 747473129 SHQBGECDQZQHQY-MOSHPQCFSA-N 458.992 5.745 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1Cl 747600884 RMLBLLPULWTTSV-QGZVFWFLSA-N 491.425 5.610 30 20 JKED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 751331775 CBLCQRCSNIVEKM-QFIPXVFZSA-N 482.371 5.591 30 20 JKED N#CCCn1cc(C(=O)COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c2ccccc21 772088635 SPFQDTQGGHDSNN-RCCKNPSSSA-N 458.514 5.722 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1ccccn1 837286097 RSXJJSVKAHNWDM-XMSQKQJNSA-N 476.577 5.559 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2cccnc2)c1 837348845 DVSQBFZVHNNKOM-OPAMFIHVSA-N 495.004 5.465 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)cc1 837877648 WJTHVTRYKISXDV-RDPSFJRHSA-N 472.614 5.728 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 838553732 GVSKMYJTZXDAKN-HXUWFJFHSA-N 486.931 5.174 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1Cl 897690714 UOVQNTHNNVSXAQ-LBPRGKRZSA-N 496.420 5.515 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)s2)cc1 902081538 GVPFOKBEFVRQSY-UHFFFAOYSA-N 480.578 5.565 30 20 JKED CCc1cccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3C)=C2C)c1 910349720 FJYUQKDOVLFNPP-SANMLTNESA-N 466.610 5.778 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(N2CCCC2=O)c1)[n+]1ccc(Cc2ccccc2)cc1 912836589 VGRUZTDLGITZFK-UHFFFAOYSA-O 484.645 5.069 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3Br)s2)ccc1OCC#N 914702370 CJTZXDUMQSQGQX-VURMDHGXSA-N 454.345 5.985 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(OC)c1 916205657 KHXMUVKDWRAOJT-OAQYLSRUSA-N 490.025 5.044 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 916283859 XGHCDZVAYYZLTG-UHFFFAOYSA-N 494.294 5.179 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)cc1 916708287 RTOHTGVIMAMCMJ-MUUNZHRXSA-N 474.564 6.225 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916922235 DKFHNQRCQIJOSU-SFHVURJKSA-N 469.419 5.253 30 20 JKED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1OC 916923348 KNTPPFCCBGVVBK-WSCHBXBGSA-N 495.000 5.167 30 20 JKED N#C[C@@H](C(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927916 FORNIFNWCYOTCX-FQEVSTJZSA-N 469.324 5.299 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946574 YRUUCIZFJONJKV-QGZVFWFLSA-N 462.720 5.582 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 917030071 ROQLCAORCCRLNR-UHFFFAOYSA-N 499.021 5.309 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=Nn2c(S)nnc2-c2cccc(Br)c2)cs1 917594831 NUOADJZFQAYPBI-UHFFFAOYSA-N 499.419 5.020 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccnc(C)n2)c1 917669062 MVGMQLIQEBNXHV-RUZDIDTESA-N 495.608 5.407 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2)n1 917673325 BHCAXQWGAPAHHT-XMMPIXPASA-N 481.581 5.099 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccsc2)c1 917696528 PUHPXTPFWQCKOY-JOCHJYFZSA-N 492.626 5.175 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@H](C)c3cccnc3)C2=O)c1 917702702 ICNSFYDOLMAXKH-DVECYGJZSA-N 483.597 5.292 30 20 JKED N#C[C@H](Cc1ccccc1)Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 917755098 CCMCTSWSGBKXOH-NRFANRHFSA-N 499.690 6.455 30 20 JKED C=CCOc1ccc(/C=C\C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC 918655051 SJWNBBWPQDEYGJ-NTMALXAHSA-N 474.523 5.073 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3c(C)noc3C)C2=O)cc1 920357739 ZOCOKDPIMCRODU-HSZRJFAPSA-N 476.602 5.377 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=Nn2cnc3sc(C)c(C)c3c2=O)cs1 920363006 PPYHZCYUSXMCCE-UHFFFAOYSA-N 491.520 5.117 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 920866492 DRRYTCHGCXOLOC-JPYJTQIMSA-N 461.587 5.083 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2F)C[C@@H](C)O1 920937921 HPCAQFKLNLTNLH-WOJBJXKFSA-N 490.554 5.684 30 20 JKED CCOc1cc(/C=C/C(=O)c2cnn(CC)c2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 920991721 NFWCFTYFTBSDTL-ZUNPHZNVSA-N 479.621 5.004 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl 1265163614 MDABSCOXLGFLNM-HSZRJFAPSA-N 455.892 5.046 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)NCC(C)(C)CCC#N 1436588295 LDUAFTHXEPHCEI-HNNXBMFYSA-N 454.621 5.132 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccc(C)n4)cc3)CCC2)c1 1785825217 KGYMVUSVLAJSQV-VAWYXSNFSA-N 450.542 5.031 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)cc3F)CCC2)cc1 1786365267 BMFMNDUUVWBWNB-UHFFFAOYSA-N 489.385 5.319 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cnc1C 1787009967 ISXQOQBPLDAKER-UHFFFAOYSA-N 482.584 5.419 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)/C=C/C(=O)c5cccs5)cc4)CCC3)cc2n1 1788649590 MFAPVWDOXZZGNO-ZRDIBKRKSA-N 485.565 5.385 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)CCC2)cc1 1789491360 IQSJSABEKVAFMN-VWLOTQADSA-N 487.600 5.011 30 20 JKED COc1ccnc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)c1 1789758897 IXSVXCPDJTUBKD-UHFFFAOYSA-N 494.473 5.042 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)c(C)n1 1789967073 VTIAULHACCVNBH-UHFFFAOYSA-N 492.501 5.650 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c(C#N)c1 1790475053 ZRDILFWIGZZVRC-FQEVSTJZSA-N 492.579 5.184 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791406222 OCJZBCXAGBVSEU-JOCHJYFZSA-N 495.664 5.370 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCCn4ccnc4)cc3)CCC2)cc(C(F)(F)F)c1 1791824984 VFEJORBSDRJUKP-UHFFFAOYSA-N 495.505 5.002 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@H](C)C#N)c5)cc4)CCC3)cc2c1 1792123597 KVOWOERJLRGHCH-LJQANCHMSA-N 493.563 6.130 30 20 JKED CN(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)c2ccccc12 1792230439 NVNZXOSYBRMBMB-UHFFFAOYSA-N 466.585 5.347 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792239906 FKNGLAOACFXXKC-KNTRCKAVSA-N 469.541 5.076 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)c1 1792378123 LNZXNHYUIYZDMJ-MYUZEXMDSA-N 463.528 5.807 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3cc(Br)ccc3c1)C2 1798340352 UJAZVHYRNBSVQS-LRSLUSHPSA-N 482.422 5.018 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(-c2ccccc2)cn2ccccc12 1799190884 PRDUDQWYYJIOOK-QEIWAGNOSA-N 467.613 5.627 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c4ccccc4n4ccsc24)C3)c1Cl 1799303194 KOIWGEPMRXIMFQ-BCDXTJNWSA-N 489.000 5.245 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2ccccc2)c1 1799551643 QWFKMYLDSKVFKL-WKCHPHFGSA-N 469.516 5.055 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[C@H]2c2cccnc2)C1 1802415287 ABBRHVIWZAXVHE-BTYIYWSLSA-N 495.904 5.179 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Cl)cc(C(F)(F)F)c1 1802464073 KIPFORGHQJGTRV-WKCHPHFGSA-N 468.947 5.308 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1802741143 FYNPGXUPBTXWGA-YADARESESA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2c(F)cccc2Cl)[C@@H]1c1cccnc1 1802847731 CFIBTBKIBGJQJU-CYFREDJKSA-N 472.004 5.115 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)C#CC3(O)CCCCC3)CC2)C1)c1ccc(Cl)cc1 1805635822 SJCBZWKPFDNNOT-SANMLTNESA-N 499.095 5.009 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)C1 1806016054 NELDNRIYORBKJV-UHFFFAOYSA-N 486.962 5.186 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2F)[C@H]1c1cccnc1)c1ccccc1 1810572466 USJJJHZJWUMODZ-CERRFVOPSA-N 483.587 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810725380 GBNXVIKLBQCNTE-MOZWKJSSSA-N 495.623 5.962 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)[C@@H]2c2cccnc2)c1 1811924760 QBKBXBUIGPAMPE-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1813046113 OKXPAQJVFFGIMK-ZKKFIOJUSA-N 471.645 5.337 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1813057124 AIHWKBLZUDIYRM-JTSKRJEESA-N 476.404 5.071 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1813226316 MVGQJCXWQOEAPR-VAVYLYDRSA-N 481.596 5.387 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(C(F)(F)F)coc3C)sc2C1 1817675677 UMBPSGMCRWLOLM-KGLIPLIRSA-N 467.513 5.058 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)ccc2n1 1818676354 OYTGQBSJPAUQQY-DEOSSOPVSA-N 498.974 5.411 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4cc(Br)ccc4c3)n[nH]2)C1 1818984786 AQDIEBWLQKGCOB-QFIPXVFZSA-N 493.405 5.598 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820089460 LUVBWYWXVFVEDL-DVECYGJZSA-N 491.617 5.411 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)n[nH]1 1820212299 HDWLPUUVFVGROI-SZNDQCEHSA-N 498.052 5.114 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cn1 1820217459 KRXFSRZJHFZLFG-FQEVSTJZSA-N 490.995 5.247 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820223149 JDUFNCHWFBCZGR-OPAMFIHVSA-N 486.963 5.182 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821028889 OFBLJCBBOIDUFI-OAQYLSRUSA-N 471.001 5.350 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccc(Oc2ccccc2)cc1 1821049140 YGAFLAGKDRXXNP-HGFFDCOOSA-N 497.555 5.220 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3)n[nH]2)c1 1821132715 MDVCCAMIQJARDD-KSFYIVLOSA-N 493.514 5.258 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274541 HDMLCPCIKWHEEV-FQEVSTJZSA-N 495.008 5.061 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](C)Oc2ccccc2)n[nH]1 1821783879 FWEMRTCORYRUGI-WPYKKVEZSA-N 450.583 5.028 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1821920034 GLDLRSXGJVJZFT-JXFKEZNVSA-N 466.969 5.841 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)[nH]n1 1821922792 POLXAZZYMUOHTG-FZKQIMNGSA-N 466.916 5.183 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 1822346351 JOJHXVBRMXPTTO-SFHVURJKSA-N 496.480 5.364 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823215690 ALRQOXVSVMMDHE-MWTRTKDXSA-N 491.979 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(F)cc3)[nH]n2)c1 1823216850 OZCWSXXTLVEEMT-KOSHJBKYSA-N 473.552 5.115 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1823675616 BKWYLNOWSNGGNS-VWLOTQADSA-N 474.992 5.240 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cn1 1823683101 HMTZCARYGSYSMC-SANMLTNESA-N 486.660 5.117 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1823752722 MDPFTGYESCYBEG-WNCULLNHSA-N 479.709 5.663 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1824448920 OSKHVTAUUMWOSS-CWTOASCOSA-N 464.650 5.187 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824807001 OKOKOZIVXJVIOA-LOSJGSFVSA-N 482.665 5.025 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)CC1 1825888535 BSAAOZQARTXMSC-JOCHJYFZSA-N 463.544 5.102 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1 1828906833 KFLDWYPFMGOAPO-VPUSJEBWSA-N 494.752 5.051 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c(F)c1 1828906913 POQMLFJQIYVZHL-RUZDIDTESA-N 486.704 5.119 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)c1 1829778781 TZZQVURUUZFPIE-QHCPKHFHSA-N 499.442 5.158 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)c1 1829956538 KHNJBWQPXPTAIQ-MHZLTWQESA-N 484.644 5.096 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1830417637 FVRSTAJROBQGDT-NLFFAJNJSA-N 489.616 5.620 30 20 JKED Cn1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc2ccccc21 1830721314 BMZSASKCEXFRDS-RUZDIDTESA-N 489.019 5.250 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c(Cl)c1 1830721623 KIISQWDISGDVFO-DEOSSOPVSA-N 475.976 5.505 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc2c[nH]nc12 1830873819 LMGLBRWDXQFASE-IBVKSMDESA-N 483.616 5.046 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](c3ccccc3)N(C)Cc3ccccc3)CC2)C1 1831207825 FDKJZSBCALOAKA-IHLOFXLRSA-N 499.699 5.446 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1831370942 RHZGHZVOLZLTDE-AMGIVPHBSA-N 484.644 5.471 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1831737454 CWXFPSJKBKTEST-DEOSSOPVSA-N 484.681 5.249 30 20 JKED COc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832604631 RBNKPCKGLPSUKW-UQBPGWFLSA-N 477.580 5.008 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CCC1 1832787482 WYVOZOXLGFKCML-FQEVSTJZSA-N 481.946 5.286 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)CC1 1838153844 OUDMLKRUWWBLAR-AREMUKBSSA-N 487.644 5.129 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)CC1 1838257007 IOGLTELFWMPMJQ-QGZVFWFLSA-N 475.054 5.379 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)CC1 1838374851 LBGTWDLWLXRHJY-SVBPBHIXSA-N 484.656 5.332 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)CC1 1838422663 DFVGXSDFWNPSNN-UHFFFAOYSA-N 485.650 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)CC1 1838424220 VSDYSIUJJBBSLG-UHFFFAOYSA-N 465.009 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)C1 1844242536 DFZVWARDEFGFGI-HXUWFJFHSA-N 483.653 5.333 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 688335 OBTXDBUEOMMEII-UHFFFAOYSA-N 457.502 6.202 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(OC)cc1 9145201 LPTKAPIHDWSEOE-UHFFFAOYSA-N 473.396 5.023 30 20 JKED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2cc(C)n(CCc3ccccc3)c2C)cs1 9801198 QWZRGLYJGBIAGV-UHFFFAOYSA-N 499.640 5.219 30 20 JKED Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 10167323 GAGLYMWUGNQQCZ-UHFFFAOYSA-O 468.646 5.880 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCCC[C@@H]2CC)nnc1-c1ccc(Br)cc1 10610243 QAQLKMHHOAMALG-YJBOKZPZSA-N 463.445 5.165 30 20 JKED COc1cc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2F)cc(OC)c1OC 11020268 RTSZZAUDANOXLF-UHFFFAOYSA-N 476.533 5.263 30 20 JKED CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2scc(-c3cccs3)c2c1=O 11150476 OGAVKIOHZBJEEQ-ZDUSSCGKSA-N 466.613 5.197 30 20 JKED C=CCn1c(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)nnc1-c1ccc(Br)cc1 16252073 QGOFQOBDWINXMI-UHFFFAOYSA-N 488.798 5.076 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccccc1OC 21673665 CQTLKICDQGAATI-QZTJIDSGSA-N 450.608 5.773 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c3ccccc3n2)c(C)c1 22157893 AJGQGTAKZYIBCI-UHFFFAOYSA-N 481.577 5.930 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n1 25114252 KZUNWOMWTJUDOB-UHFFFAOYSA-N 458.490 5.538 30 20 JKED N#Cc1ccc(CN2CCCN(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1 25438021 OTQWMCKJJIYRDL-UHFFFAOYSA-N 456.537 5.408 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2sc(C)c(C)c2c1=O 26010787 QMNGHAISUNLQPX-MRXNPFEDSA-N 480.640 5.187 30 20 JKED Cc1c(C#N)c(SCC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nc2c1CCC2 26523704 VYVINZJULSFPFK-IBGZPJMESA-N 484.625 5.314 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1 26836588 IWYPSJOORUMTOJ-IBGZPJMESA-N 467.664 5.015 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)nnc1-c1ccc(Cl)cc1 32458957 HURSJAVYYBEAFB-UHFFFAOYSA-N 484.025 5.044 30 20 JKED CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 59326861 ZSTDQDWOJVVUJK-VWLOTQADSA-N 463.528 5.254 30 20 JKED C=CCn1c(-c2sc(NC(=O)CCCCOc3cc(C)ccc3C)nc2C)n[nH]c1=S 109051199 HDBAYJUCTKZVIK-UHFFFAOYSA-N 457.625 5.363 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(SC(F)F)cc1 254761975 AJADUWGGIVAOHK-LJQANCHMSA-N 491.585 5.574 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 302950529 MLVOQVXYYHDGNM-VWLOTQADSA-N 459.977 5.512 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(C(=O)NCCCC)cc1 409520964 LAADMLBIWPLWFZ-UHFFFAOYSA-N 476.390 5.016 30 20 JKED C=CCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491026215 GHQOZZMAQNFBBH-UHFFFAOYSA-N 490.606 5.839 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)c1 496612392 OTVBEHANILNLAI-UHFFFAOYSA-N 469.482 5.095 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 500062237 AFIYTEDOUTVTMZ-UHFFFAOYSA-N 482.396 5.859 30 20 JKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1NC(=O)c1ccco1 501142843 MIABQUPNEUYQJP-UHFFFAOYSA-N 467.500 6.007 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1ccc(F)cc1 504278550 CJYUAIUKTAJVRG-UHFFFAOYSA-N 493.589 5.315 30 20 JKED N#CCC[C@@H](C#N)CSc1nc2scc(-c3ccccc3)c2c(=O)n1CCc1ccccc1 508377700 UNXGVKHGUMQOIV-FQEVSTJZSA-N 470.623 5.903 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nnc2ccc(C(F)(F)F)cn12 510871509 HWRVIROTNQNSGW-UHFFFAOYSA-N 466.423 5.042 30 20 JKED O=C(CCc1nnc(-c2cc(F)ccc2Br)o1)Nc1cccc(C#Cc2ccccn2)c1 511401571 ZEUKLXBDXSDJOM-UHFFFAOYSA-N 491.320 5.004 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)o1 511423847 ZRWZNRGIFYNKIK-KBMIEXCESA-N 455.558 6.245 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 511529155 AZTNIFLVZZUICE-DEOSSOPVSA-N 470.529 5.197 30 20 JKED C[C@@H](Sc1nnc(C[C@@H](C)c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 513337245 FMFYPAMPFPWFNU-HZPDHXFCSA-N 466.632 5.737 30 20 JKED CN1CCc2nc3ccccc3c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2C1 515407473 SOMWRJXIFUVRPP-UHFFFAOYSA-N 466.516 5.065 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)c2)cc1 517847612 UCEQXLOSNIEKDV-UHFFFAOYSA-N 450.498 5.039 30 20 JKED Cc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c2cnn(Cc3cccs3)c2n1 518207244 CVDMPGGLNWYZLU-GOSISDBHSA-N 456.358 5.151 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 518240006 PQZCUFQNOOJDEQ-AWEZNQCLSA-N 473.429 6.371 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 518548218 SHNBQTSXIZGUMO-UHFFFAOYSA-N 462.509 5.028 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(Oc3ccccc3)c2)cc1[N+](=O)[O-] 518911592 FSWKAMRRCLKPFP-UHFFFAOYSA-N 497.511 5.103 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCO3)nnc1-c1ccc(Cl)cc1Cl 520639113 XFBPKNZOWGYUOX-UHFFFAOYSA-N 461.374 5.104 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)o2)cc1 520915715 RUFNTFQZWDCDHM-UHFFFAOYSA-N 467.525 5.567 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)sc2nc(C(F)(F)F)ccc12 521258612 BKDUACPGFWTFKS-LLVKDONJSA-N 479.455 6.515 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 521290614 JWZXYGSGFMXVFB-INIZCTEOSA-N 467.447 5.544 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)[C@H](C#N)c4ccc(C(F)(F)F)cn4)c3)cn2c1 525190297 ASBGUDLHPDJXBJ-HXUWFJFHSA-N 450.420 5.126 30 20 JKED CC(C)Oc1ccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)c(C(F)(F)F)c1 588070728 SXEVXDWMGLHOBG-UHFFFAOYSA-N 490.379 5.161 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 597257034 PQFDWVKQUPZPRZ-IBGZPJMESA-N 486.572 5.011 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4cccc5ccccc45)C3)cn2)cc1 603765317 VOIPMOBKXNOVHN-QFIPXVFZSA-N 476.536 5.390 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2Cl)cc1 604090365 WVFNPKDNIUQABU-UHFFFAOYSA-N 471.948 6.292 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)n2)cc1F 604113165 WGXGTPIUYOQHGD-UHFFFAOYSA-N 456.477 5.206 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1 604568900 UQBMGJBIDGCFFH-UHFFFAOYSA-N 451.482 5.585 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)c1 608872746 IIRVLOAUFYBRSW-UHFFFAOYSA-N 463.921 5.262 30 20 JKED Cc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1CCc1cccs1 609009376 UZRSENHWUJUOEP-AWEZNQCLSA-N 471.677 5.070 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609081111 GSHMONOBVSSFKW-UHFFFAOYSA-N 487.528 5.863 30 20 JKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609088472 ALKLWVUYJAZYKA-SANMLTNESA-N 455.558 5.384 30 20 JKED N#C[C@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccc(OCc2ccccc2)cc1 609173931 BALUNBVZIACXQJ-ZRZZZMTFSA-N 487.644 5.592 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 609191982 ULDFOZPCRHOSOA-UHFFFAOYSA-N 456.384 5.032 30 20 JKED N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c(C(F)(F)F)c1 609198598 ZMRZFLOUYPWBIS-QGZVFWFLSA-N 481.496 5.196 30 20 JKED COc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)c1 609370829 AMVSXQMKHZOPSA-AWEZNQCLSA-N 471.633 5.415 30 20 JKED Cc1csc(Sc2ccc(C(=O)Nc3ccccc3SCCC#N)cc2[N+](=O)[O-])n1 609375302 GEBKBYATGWPOJY-UHFFFAOYSA-N 456.574 5.769 30 20 JKED COc1cccc(/C=C(/CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2nc3ccccc3s2)c1 609377456 VUHGDNSWMDEYMV-BJLUOBIUSA-N 499.661 7.126 30 20 JKED N#CCCSc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 609378727 HZMSDVUBIMCCHW-UHFFFAOYSA-N 462.571 7.122 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 609398118 IKPLPTIHZMDVDA-KRWDZBQOSA-N 455.580 5.031 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)o1 613404472 NYBOVKWKJBBWQA-MRXNPFEDSA-N 467.428 5.849 30 20 JKED CC(C)OCc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2ccccc12 620304569 NXSMNYCZHFGGJV-OAHLLOKOSA-N 452.482 6.250 30 20 JKED COc1cccc(CCC(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1F 622518056 VDNJXDFMLIVQKU-SFHVURJKSA-N 479.392 5.405 30 20 JKED O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)Nc1cccc(C#Cc2cccs2)c1 623515447 ZLADYCFKUUFERM-UHFFFAOYSA-N 452.539 5.117 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCCC2)C(C)C)nc2scc(-c3cccs3)c2c1=O 637793921 KDOZHOZOLAGKHF-GOSISDBHSA-N 459.662 5.112 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nn(-c2ccccc2F)c2c1CCC2 642367063 OKLPLQWLBUMCRZ-ITGUQSILSA-N 463.397 5.139 30 20 JKED COc1ccc(Cc2nnc(S)n2N=Cc2ccc(-c3cccc(Br)c3)o2)cc1 725812122 OSHCGUZPDWKKKI-UHFFFAOYSA-N 469.364 5.071 30 20 JKED C[C@@H](OC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 726025078 RZICAKTXDHCPEM-QHGAOEGBSA-N 499.677 5.014 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726117334 XIYSSMLWGNOMRZ-HRAATJIYSA-N 497.646 5.003 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 726396582 FSEKRYMWOTXBTK-ORAYPTAESA-N 481.952 5.004 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](c2ccccc2)C2CC2)cc1Cl 726890130 HWIIFDKWZMLJMP-FYYLOGMGSA-N 484.021 5.100 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)c1 727402424 YGKHGPUXCMOOCM-UHFFFAOYSA-N 469.335 5.526 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc21 728767263 ZIKIBBXUAMCZDS-GOSISDBHSA-N 458.345 5.173 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728777322 KEDZDIXBXCMNPG-NRFANRHFSA-N 469.010 5.611 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(Br)c2)N([C@@H](c2ccccc2)C2CCC2)C1=O 729145099 HZLKKPKYTYHHAZ-CTNGQTDRSA-N 486.435 5.058 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1OC 729431769 AZSSDWLWGFYUKP-LBPRGKRZSA-N 455.750 5.873 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(CCc3c(C)noc3C)C2=O)cc1 730442977 AZLLSZGNNBCBJL-HSZRJFAPSA-N 476.602 5.111 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)c1 730459917 PFUFWIXIPJQUDP-IBGZPJMESA-N 461.946 5.001 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 730460808 GDCHDRFZMNDZQS-GOSISDBHSA-N 493.372 5.414 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3ccccc3F)C2)ccc1Cl 730507309 RYLNBMXTIXOYOX-FQEVSTJZSA-N 499.007 5.490 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](c2ccccc2)C2CCC2)C1=O)Nc1cnccn1 730716911 BQQRKXFFESOQET-XUZZJYLKSA-N 489.576 5.117 30 20 JKED N#C[C@H](C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 730920589 PFOJZPPYZVHRPX-MSOLQXFVSA-N 499.379 5.198 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 731065016 WTRKDKGOPJMIQR-LLVKDONJSA-N 457.766 5.837 30 20 JKED N#Cc1ccc(COC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)cc1 731102477 OCGMJFOPHJDCRN-UHFFFAOYSA-N 456.758 5.106 30 20 JKED N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 731136229 OTIWMIKEHAWCLV-HNNXBMFYSA-N 464.335 5.943 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(CCc2cccs2)C1=O)Nc1cccc(O)c1 731307466 SNCTYWLZYPCQOZ-HXUWFJFHSA-N 486.018 5.310 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731310630 MDOCIARIADYGTK-LJQANCHMSA-N 490.368 5.453 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc([C@@H]3C[C@H]3C)o2)c1 731316054 QSIDNDPFGSRSHO-WQWSHVPRSA-N 499.592 5.250 30 20 JKED COc1cc2nc(/C(Cl)=C\c3cccc(OCc4ccccc4C#N)c3)nc(O)c2cc1OC 731318281 HIEWGDJOAAJJML-SRZZPIQSSA-N 473.916 5.540 30 20 JKED C[C@@H](CC#N)Sc1ccccc1N/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 731338482 AGSSDGRTQOSCSY-IMGOXIFKSA-N 473.985 6.374 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 731349009 GHSXZMSTKLGAAJ-WHPBDHBRSA-N 477.611 5.746 30 20 JKED COc1cccc(-c2nc(C=Nn3c(S)nnc3COc3ccc(C(C)C)cc3)cs2)c1 744807144 MLZLFBLAIVQSIW-UHFFFAOYSA-N 465.604 5.284 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccccc2)n(Cc2ccco2)c1=S 745162365 MKTDFPXJBVSKNR-UHFFFAOYSA-N 461.547 5.276 30 20 JKED Cc1sc2ncn(N=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)c2c1-c1ccccc1 745983954 DNCNOUBTBWGSBG-UHFFFAOYSA-N 456.483 5.484 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1C 749313343 QEKBURWSTLMNCN-UHFFFAOYSA-N 477.586 5.318 30 20 JKED Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(C)o2)CC3(C)C)cn1 792345185 XGUHVSSSBPGUHZ-VURMDHGXSA-N 488.569 5.193 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1C 837299835 OHNGNJZYBWOYFA-JPYJTQIMSA-N 476.577 5.559 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H](C)c3ccccn3)C2=O)cc1 837301935 QDIHMJZNBAEFGP-KOSHJBKYSA-N 486.597 5.314 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 837445760 ZAKXQHKCHHXYAN-BWKNWUBXSA-N 486.641 6.037 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@H](C)c3ccccn3)C2=O)c1 837908397 WMHDLPYESUSCMZ-JPYJTQIMSA-N 493.032 6.073 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(NC(C)=O)c2C)ccc1Cl 892642026 JINCUYYLQJNOSS-UHFFFAOYSA-N 498.004 5.240 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(Br)c2)cc1 914559259 FYYUPBHJCFGVKZ-UHFFFAOYSA-N 451.415 5.150 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5cc(OC(F)(F)F)ccc54)c23)cc1 915048431 CNPIGMREAOLXKX-UHFFFAOYSA-N 485.447 5.034 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 915086472 JZPFSPWAOHSJOP-QHCPKHFHSA-N 479.989 5.032 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)nc(O)c2c1C 915101964 LJSDQGUJZNJZMD-HOCLYGCPSA-N 480.640 5.635 30 20 JKED N#C[C@H](C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 915103831 GJTFOSWIPLFTDS-MRXNPFEDSA-N 490.484 5.372 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 915111186 KIKRSNVALGMUTJ-IBGZPJMESA-N 490.944 5.148 30 20 JKED O=C1CCc2cc(C(=O)/C=C\c3cccc(/C=C/C(=O)c4ccc5c(c4)CCC(=O)N5)c3)ccc2N1 915993145 KNUQAOROHBODBZ-JBWWEBJPSA-N 476.532 5.248 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccco3)C2=O)c(OC)c1 916207608 HHQVNABXPQPDMU-QHCPKHFHSA-N 493.585 5.074 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(F)cc1 916209536 MOWGGSCKHZQAEW-SFHVURJKSA-N 478.387 5.205 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2Cc2ccco2)cc1 916213107 YUCDUWWIVGQARN-FQEVSTJZSA-N 498.948 5.310 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(CC)cc1 916214093 KAKCUFIMGYCLPW-LJQANCHMSA-N 461.509 5.414 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(OC)ccc3OC)C(=O)N2C2CCCC2)cc1 916214964 RWLPAYWVBZYMLI-HSZRJFAPSA-N 481.618 5.169 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc(Br)c1O 916333442 LRWOUAZIKMDSAH-UHFFFAOYSA-N 488.194 5.290 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 916711489 ULPXWGLJFNZZOY-KZLURRSOSA-N 495.432 5.175 30 20 JKED N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ccc(SC(F)F)cc1 916888497 XDDPBXOKPOVSKB-LJQANCHMSA-N 450.466 5.791 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1OC 916935792 WICVUQJYIAICBR-QFIPXVFZSA-N 485.515 5.271 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1OC 916936004 YQBZXJHZXJAUES-DEOSSOPVSA-N 486.568 5.541 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 916949076 LKUHKNXWESGYKU-YWZLYKJASA-N 494.016 6.437 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nnc(C)n3Cc3ccccc3)n2)cc1 916973053 SKWGNFQVAVKNQJ-HXUWFJFHSA-N 459.600 5.035 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917045883 BXOKOJRBZGHMOC-HOCLYGCPSA-N 478.426 5.331 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 917119871 ZFIFUZAYDZSLBI-GGAORHGYSA-N 452.583 5.807 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C1=O 917675623 SAORLIZXKZDAPA-REIDKSKDSA-N 489.597 5.572 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 918711430 MKOURDXCJCCTIF-UHFFFAOYSA-N 475.521 5.657 30 20 JKED Cc1cccc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c1NC(=O)c1ccccc1F 919644108 JZWUPUSSPZCMIO-UHFFFAOYSA-N 483.499 5.295 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@H](C)c2ccc(F)cc2)C1=O 920168796 BRXNVOIELSGXLD-UGSOOPFHSA-N 481.565 5.012 30 20 JKED CCOc1ccc(O)c(C=Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2OC)c1 920943498 YXQXFSKSXXDMDM-UHFFFAOYSA-N 460.939 5.004 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)cc1 1540963247 PJMQYFOIHBLYAZ-IBGZPJMESA-N 450.420 5.212 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2ccc(C)cc2)C1 1777758277 TXVSQTAWVJVDNQ-FYBSXPHGSA-N 489.660 5.177 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(Br)cc(C(C)C)c3)CCO2)C1 1779243738 ARHUDTNHQJZGTJ-VWLOTQADSA-N 491.470 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(C(C)(C)C)s2)C3)c1 1782972416 IUBBXTXGMWGXTH-RRBBIIPZSA-N 493.673 5.114 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCCC(=O)OC(C)(C)C)CCC2)cc1 1786102647 SEUJGFKCLFIHSX-UHFFFAOYSA-N 454.611 5.401 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1 1786368619 KPJYFEZACRONSX-KESTWPANSA-N 466.544 5.472 30 20 JKED COc1cncc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1786843340 JQBZDWSFKUXISD-FQEVSTJZSA-N 482.584 5.098 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)cs1 1787528842 OLCIXAVFLKJBDO-UHFFFAOYSA-N 495.402 5.147 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccc(C(F)(F)F)cc5)[nH]n4)CCC3)cc2)CC1 1787878308 ZRFHXTSCVVZNNC-UHFFFAOYSA-N 493.489 5.147 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)[nH]c2c(Cl)cccc12 1788501776 ZLPXBPYQEBKJOG-UHFFFAOYSA-N 471.948 5.391 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1788673116 KAOIXGHPGTZZPD-UHFFFAOYSA-N 494.526 5.722 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1 1788878409 DLKCQPDCIJBKPS-DHZHZOJOSA-N 454.935 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)cc2)CCC1 1789219178 VFEMRMZNGVMYMQ-HSZRJFAPSA-N 493.611 5.846 30 20 JKED Cc1nc2ccncc2cc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508035 DFLPMUCJPBRQKF-UHFFFAOYSA-N 498.703 5.737 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3O)CCC2)cc1)c1ccccc1 1789600107 ADTMYRAYRSNRIM-XMMPIXPASA-N 467.569 5.041 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3[nH]nc4c(Cl)cccc34)cc2)CCC1)C(F)(F)F 1790371670 LFIYRQCYXFSTQO-UHFFFAOYSA-N 476.886 5.011 30 20 JKED CC(C)(C)CC(=O)NC1(c2ccc(NC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1790472201 XILZUTLDOFXZLV-UHFFFAOYSA-N 496.652 5.098 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1 1790645404 HVSXPNSKXUZEGI-OKCVXOCRSA-N 490.501 5.064 30 20 JKED CNc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)cc1 1790784906 AEIPVYILGDCWCX-UHFFFAOYSA-N 492.501 5.680 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791516749 SSTRHBIRXLTAHB-UGKGYDQZSA-N 471.642 5.272 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@@H]2CCC[C@H]1c1ccccc1N2)c1ccccc1 1795943695 TUOBPLKAZOFHMM-JQGAEGQVSA-N 495.667 5.200 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1798335821 TWUXAALIXFTDPO-RRPPUSTOSA-N 480.052 5.648 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cc1 1798420894 TZUIFKOPTRGCPC-NUNAXRQHSA-N 468.714 5.167 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn(-c3ccccc3)c3ncccc13)C2 1798593194 ZWFGXZUCVJMUKQ-UADZTWIMSA-N 470.617 5.270 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)N(CC(C)C)CC(C)C)C2)C(F)(F)F 1801703907 PYKAAYLLGZSWMY-UEQSERJNSA-N 493.614 5.098 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)[C@@H]2c2cccnc2)C1 1802416720 JZRRPSQDULDKFF-AFMDSPMNSA-N 482.609 5.130 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2ccc(C)cc2)[C@H]1c1cccnc1 1802495814 FMJOAQOXOUWMNN-DHLKQENFSA-N 465.663 5.181 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1804175261 IQPRFEALNRYCMH-PXDATVDWSA-N 498.092 5.172 30 20 JKED COc1cccc(-c2cc(C(=O)N3CCCC4(CCN(C(=O)c5cc(C)cc(C#N)c5)CC4)C3)c[nH]2)c1 1807449481 XRNGOIGOERMTKI-UHFFFAOYSA-N 496.611 5.029 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1809397427 VGFJHYWPFODURS-OFVILXPXSA-N 477.008 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@H]1c1cccnc1 1809618262 PAVROGQODSPZHU-ITAPOITPSA-N 463.666 5.462 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1810443217 FVDVWHIYBUYBNH-ZONZVBGPSA-N 471.645 5.277 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@H]1c1cccnc1 1810473261 OYPOYOKWVKNHFN-POURPWNDSA-N 497.614 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)[C@@H]1c1cccnc1 1810498281 LMSVQEGENRIOJT-YLJYHZDGSA-N 475.420 5.095 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811417224 CCYZSSZAOPSMPA-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1811427876 RAUNUVATBKQSEO-OYYXRSNLSA-N 494.639 5.741 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1811705145 RSSSZICBTDOZGE-OFVILXPXSA-N 482.100 5.106 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@@H]1c1cccnc1 1812054284 IHEHEEQVCWFAOY-OPWBJGKSSA-N 489.566 5.559 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812514253 LAKMZHREXTUMEX-ZCVJKFOLSA-N 466.025 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccccc3)CCC2)[C@@H]1c1cccnc1 1812993865 QFDYBAVFALMQKU-NOZRDPDXSA-N 459.634 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c1 1813864490 VTJPOONDLNICMT-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)[nH]n1 1814829830 VWIYTJNQXXEOPY-XMMPIXPASA-N 473.577 5.041 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1815653185 DJNXMMZHRSQMLE-IBGZPJMESA-N 491.539 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2C1 1817356806 ZNEWPVAMIVXMSY-RBUKOAKNSA-N 476.602 5.101 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3cccc(F)c3)n[nH]2)c1 1817765016 XMBDRSZXWVXMPS-DEOSSOPVSA-N 494.530 5.102 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1819367178 OJMFGYAXNYNORP-BJKOFHAPSA-N 488.588 5.081 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)[nH]n1 1819554774 NULVKKCGSMXODW-QFIPXVFZSA-N 463.582 5.198 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)c1Cl 1820219259 PEJTWWQWAMRALR-FQEVSTJZSA-N 453.974 5.211 30 20 JKED CCn1nc(C(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1820353369 VGKLVESSPGEBCL-QFIPXVFZSA-N 496.732 5.107 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)c1 1820525939 KGMCJNSBMYKJDK-JOCHJYFZSA-N 495.505 5.239 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)c(Cl)c1 1820563279 AVTBDTXNGVIVOR-HXUWFJFHSA-N 468.344 5.208 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)cc1C#N 1820909440 YHHSDAHRNBNODP-RBZOQEBVSA-N 489.620 5.511 30 20 JKED COc1ccc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1821172584 CPDISIDIAXXBST-HSZRJFAPSA-N 480.685 5.084 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)[nH]n1 1821920960 AVNCUWSVITYMKQ-RNODOKPDSA-N 487.938 5.408 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1821929690 YHOPYBOWVZMGIG-UGSOOPFHSA-N 452.452 5.086 30 20 JKED CCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1821939385 KZPQNWCTFCGNNJ-SFHVURJKSA-N 461.488 5.042 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C(C)C)CCC3)n[nH]2)cc1C#N 1823067079 OHPRDRVBACAVOZ-JOCHJYFZSA-N 477.609 5.201 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)ccc2[nH]1 1823218077 YGGAXFKJDIMAAN-NSYGIPOTSA-N 480.572 5.446 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(=O)c3ccc(Cl)cc3)CC2)c1 1824164875 IPHRDWGYEJTZDW-CLOONOSVSA-N 492.019 5.083 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824449885 OUJJETGLHUJMCN-YKSBVNFPSA-N 494.598 5.239 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccs3)CC2)cc(C(F)(F)F)c1 1825779205 RMUQNRZADUFMGP-FQEVSTJZSA-N 475.536 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)CC1 1827711453 BECJYKNHRUMIFL-RUZDIDTESA-N 476.665 5.406 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)CC2)c(Cl)c1 1828335287 PVPGQNRFCMODQN-OAQYLSRUSA-N 481.021 5.302 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828496662 BAPNDZWROCINKM-AVRWGWEMSA-N 468.041 5.642 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc4c3CCCC4)CC2)cc1 1828569347 KCRSBFLGKVUETP-VWLOTQADSA-N 475.658 5.240 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nn2-c2ccccc2)CC1 1828824230 GIBUQBXTYLICJY-UIOOFZCWSA-N 474.649 5.182 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCc3ccoc3C2)CC1 1828904480 YGZPDANXRLOTHI-DQEYMECFSA-N 482.741 5.055 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)CC1 1828933193 PXBMMXISZNCNSA-UHRQBARKSA-N 466.691 5.486 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829925791 VOZJYLIVTXAKDM-RUZDIDTESA-N 482.741 5.370 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830360258 IOZGVCZCMYYGBC-NLFFAJNJSA-N 455.618 5.076 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c1 1830768364 QTCSUYOPKDKHFM-OAQYLSRUSA-N 473.495 5.026 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccccc3o2)CC1)c1ccccc1 1830851910 UBICCWLTYXSVEH-AHWVRZQESA-N 483.612 5.258 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1832025248 SKDMYKKRNZGSBB-DEOSSOPVSA-N 454.014 5.248 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832167683 JCGCSGKVXUWAJS-LADGPHEKSA-N 499.797 5.233 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1)c1cccs1 1832557199 UTAMRKDLRKXTOW-JHUUHBRDSA-N 476.642 5.298 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832633667 MLROGAUSTAUZDL-RBISFHTESA-N 487.644 5.650 30 20 JKED Cc1cc(F)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634232 RUQKIRIZFUIQJP-FQRUVTKNSA-N 461.581 5.308 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1832825950 CZDUIELHADUTJU-OFVILXPXSA-N 495.664 5.170 30 20 JKED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)C1)c1ccccc1 1843993697 HEWKYTOIQDZWHS-HSZRJFAPSA-N 486.015 5.211 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836444 YUCNHYWNVWQHJN-UHFFFAOYSA-O 470.854 6.609 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(N(C)C)cc2)cc1 11249571 INJAATOSCAFSAV-UHFFFAOYSA-O 454.566 5.493 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)nnc1C1CC1 12056063 NZNGQXSVISBXFY-UHFFFAOYSA-N 454.983 5.826 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc(-c2ccccc2)cs1 14055263 FDGVHRCVUVDDLB-UHFFFAOYSA-N 451.498 5.895 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)nc2scc(-c3ccc(C)cc3)c2c1=O 14757800 XCHOPBJWXKDBMR-QGZVFWFLSA-N 493.658 5.089 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3cccs3)n2)n(C2CCCCC2)c1C 16675172 XRRPNVUVSFFZDX-UHFFFAOYSA-N 468.604 5.462 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1ccc2c(=O)n(-c3ccccc3F)c(=S)[nH]c2c1 18147773 PMNMGMLJKONDID-UHFFFAOYSA-N 451.548 5.077 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 21237765 FUYAPCDIDYNFOG-AWEZNQCLSA-N 495.407 5.459 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccccc1OC 21673678 CQTLKICDQGAATI-ROUUACIJSA-N 450.608 5.773 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)s2)cc1 22190404 SXYBYOOYLRXXAM-UHFFFAOYSA-N 484.566 5.400 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 23347822 RSPHMRKBKIHMMS-TZIWHRDSSA-N 495.674 5.230 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nc2ccccc2c1=O 23349137 FHCWWMGZHNSWLM-IBGZPJMESA-N 455.583 5.293 30 20 JKED C=CCn1c(SCC(=O)NC(C2CC2)C2CC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 23625969 BWOHPPQYXSYFIC-UHFFFAOYSA-N 483.634 5.155 30 20 JKED CC(=O)Nc1ccc(-c2csc(/N=C(\O)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)c(F)c1 29356896 VNSHNFCSDXEJGW-UHFFFAOYSA-N 477.521 5.181 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 32786380 QXAGMZMVWRZKCI-HNNXBMFYSA-N 475.599 5.466 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(F)cc2)ccc1Cl 36768266 BYTJIZPSWUEKIC-UHFFFAOYSA-N 472.969 5.133 30 20 JKED C=CCn1c(Sc2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccccc1OC 72018781 KUIUBFCFHCRTSR-UHFFFAOYSA-N 474.546 5.219 30 20 JKED CC(=O)Nc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 103321654 JBZNRDGNACDAAP-UHFFFAOYSA-N 458.280 5.954 30 20 JKED CC(C)c1nccn1Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 108631941 VJLSEAKJZOVZKW-UHFFFAOYSA-N 452.583 6.330 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 110481499 FQWKALHRCOEHCA-QHCPKHFHSA-N 472.545 5.129 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1[C@H]1COc2ccccc2O1 115400132 MUKKDFULOBEXEB-JOCHJYFZSA-N 492.626 5.613 30 20 JKED C[C@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1)c1ccc(C(F)(F)F)cc1 195646531 ONLVHPOOSUXUFS-MRXNPFEDSA-N 481.540 5.089 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(Cc2cccs2)n1CCc1ccccc1 247643441 ITPBESQQGLDWEZ-UHFFFAOYSA-N 473.627 5.166 30 20 JKED C=CCN(C(=O)CCc1nc(O)c2ccccc2n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 253610287 AUKMRBWHOYXJMV-UHFFFAOYSA-N 485.396 5.918 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1cccc(Br)c1 303197034 NLKBMUADQYUVQN-UHFFFAOYSA-N 451.320 5.226 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccccc1 410178572 NHEWLTANEVHWRH-IBGZPJMESA-N 487.654 5.938 30 20 JKED Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1NC(=O)c1ccccc1F 481828944 IGKYDRBDMNXHCO-UHFFFAOYSA-N 471.410 5.452 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1 501588198 HXKFCKMRUHODJO-XMMPIXPASA-N 466.990 5.131 30 20 JKED COc1cc(C(=O)N(CCC#N)Cc2ccccn2)ccc1OCc1ccc(Br)s1 505201713 ZBNOSEKYZHFVEM-UHFFFAOYSA-N 486.391 5.049 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 508602666 FNOASBHXODYZFC-UHFFFAOYSA-N 481.409 5.650 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1Cl 510011867 WPZPHVZSTVLETB-NOZRDPDXSA-N 474.992 5.018 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3cccc(Br)c3)c2)c1 511461535 VSQIHXKSRRHDPU-HSZRJFAPSA-N 489.373 5.942 30 20 JKED Cc1nc(C(=O)N(C)C)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 511765764 WEWAOZVWUXZARG-HNNXBMFYSA-N 459.358 5.012 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnn1-c1ccc(OC(F)F)cc1 520863925 NVESZTRKCYBUDN-UHFFFAOYSA-N 461.428 5.093 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)cc1 520864638 GGHSWEFKNRSMPS-UHFFFAOYSA-N 484.350 5.284 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 520941122 DPQIYJPXZSOMGV-UHFFFAOYSA-N 454.530 5.085 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 521269572 HCBYFFLNPOFTSP-UHFFFAOYSA-N 463.994 5.545 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 521505698 BGOHEBRMECYNRI-UHFFFAOYSA-N 473.451 5.699 30 20 JKED CN1CCN(C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc2)CC1 524367048 HTVDMRCJWLYEHL-BDYUSTAISA-N 488.035 5.106 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524391370 ISQSZAOLODSKKG-UHFFFAOYSA-N 459.571 5.006 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 524675729 PTLQPVQXYQKZKU-GOSISDBHSA-N 481.927 5.667 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2)c1 549580999 GSYKMEKGHAZKDE-UHFFFAOYSA-N 465.513 5.249 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 561158831 NWDZXBDKZDFQBO-AWEZNQCLSA-N 471.508 5.668 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 582521368 RLJRKDHMVZUSSO-UHFFFAOYSA-N 475.508 5.566 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3nccnc3-c3nc4ccccc4s3)cn2)c1 603626869 GZYWEKPAVJWZTO-UHFFFAOYSA-N 450.483 5.065 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl 603673449 ZGBRRZWLCYGUMM-OAQYLSRUSA-N 477.351 6.270 30 20 JKED CN(CCCOc1cccc(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604085750 STLSKOMYYFRTIA-UHFFFAOYSA-N 463.965 5.918 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 604103700 HIBVOUNHGMAEDS-QFIPXVFZSA-N 496.398 5.352 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C 608844958 BIFIJPJYYAJMPW-QFIPXVFZSA-N 496.489 5.525 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)c2)cc1 608994489 LWWAYPGYVAGYNM-VWLOTQADSA-N 479.939 5.730 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)c(C#N)c1C 609019011 VKHCMBCZQADAQX-UHFFFAOYSA-N 464.503 5.277 30 20 JKED COc1ccc(OC)c(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 609387169 RBLVAEDHILDVFL-CYBMUJFWSA-N 453.486 5.167 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)N1CCCCC1 609398775 PWVIEJYGBAAFDP-DENIHFKCSA-N 452.624 5.296 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2cc(Br)cs2)n1 609428675 RVSFBJYEGADEHU-NSHDSACASA-N 464.435 6.281 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N 609437016 KNGPDUOXNXUEGA-KXBFYZLASA-N 474.424 6.221 30 20 JKED O=C(c1cc(F)ccc1F)C1CCN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 612804237 GIYADHFDDCUKAW-NHAGDIPZSA-N 486.403 5.479 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1nc2ccccc2n1C(F)F 613401820 OIMGNCRFMSEDKL-MRXNPFEDSA-N 477.858 6.021 30 20 JKED N#C[C@@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1nc2ccccc2n1C(F)F 613404205 OSFGKJCLDFOMTL-KRWDZBQOSA-N 474.492 6.355 30 20 JKED O=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618542184 YEBWAYRZJNHERZ-GJZGRUSLSA-N 464.381 5.999 30 20 JKED CC(C)c1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 642161203 CCDORKDBOBRDMX-CHWSQXEVSA-N 465.413 5.774 30 20 JKED C#Cc1cccc(N/C(S)=C(C(/O)=C2/N=C(C)C(C(=O)OC)=C2C)\[n+]2ccc(C(C)(C)C)cc2)c1 726572386 AUILVLBGFVJLSS-UHFFFAOYSA-O 488.633 5.155 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1=S 726592898 ZSSSOIFYCAWHHA-UHFFFAOYSA-N 494.024 5.203 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc2ccccc2n1C(F)F 727628556 NNXDHAOROWQMES-HNNXBMFYSA-N 451.502 5.134 30 20 JKED C#Cc1cccc(N(C)C(=O)c2sc3[nH]c(CSc4cc(C)ccc4C)nc(=O)c3c2C)c1 728536477 GFOKKVSBAACJFL-UHFFFAOYSA-N 473.623 5.460 30 20 JKED CC(C)N(C(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21)c1ccc(Nc2ccccc2)cc1 728704263 ASBUOMHKRWNWNB-UHFFFAOYSA-N 470.960 5.712 30 20 JKED CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCSc2ccc(Br)cc21 728796613 IYISFZTXSYHENY-KRWDZBQOSA-N 466.857 6.230 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2scnc2C)c1 729144792 ZBGFRTXCXSCQMD-IBGZPJMESA-N 486.569 5.199 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2c(C)noc2C)cc1 730445006 RYYXPWFWSMAXQN-JOCHJYFZSA-N 498.555 5.081 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1 730577320 GVOGATBTGVDLHB-IMRQLAEWSA-N 463.581 5.961 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)nc2ccccc21 730685369 HQNZNONKJWIRCW-GAJHUEQPSA-N 478.321 5.471 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C2SCCCS2)cc1 730993563 BCPKHMZEYFACDD-UHFFFAOYSA-N 468.591 6.832 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1=S 731027709 NQGLNVMXHLIWDB-QHCPKHFHSA-N 459.619 5.942 30 20 JKED Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNc2ccccc2SC[C@H](C)C#N)cc1 731028867 SPXQXSRTONKCEZ-HXUWFJFHSA-N 472.614 5.227 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cc2ccccc2)ccc1O 731077785 OYTVMSCZKCCSAA-SFHVURJKSA-N 460.555 5.030 30 20 JKED N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)C(=O)Nc1ccc(SC(F)F)cc1 731136015 KGDBLEXQOUHQQK-QGZVFWFLSA-N 499.402 5.984 30 20 JKED N#C[C@@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1cccc(Cl)c1Cl 731195977 SIBUDSANDNBECZ-CYBMUJFWSA-N 457.542 5.885 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731310415 HRYRBCOCQBPSQK-KRWDZBQOSA-N 452.363 5.069 30 20 JKED Fc1ccc(NN=Cc2ccc(-c3nn(-c4ccccc4)cc3C=NNc3ccc(F)cn3)o2)nc1 731317846 FHVDAODZVGTSSS-UHFFFAOYSA-N 484.470 5.093 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 743714815 WSOKIKLRGBVGML-UHFFFAOYSA-N 484.943 5.636 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)ccc1S(C)(=O)=O 747061059 CGBWORZRVNDLMI-YHYXMXQVSA-N 487.917 5.349 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c(C)c1 747599906 LTLOSEKXARWBHM-NRFANRHFSA-N 499.061 5.882 30 20 JKED Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)cs2)c1 762315790 FBGNCWPJMJCGBQ-UHFFFAOYSA-N 498.608 5.181 30 20 JKED O=[N+]([O-])c1ccccc1-c1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)s1 812435483 KWDYIHVGAQJNFS-UHFFFAOYSA-N 486.376 5.515 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 837707940 PPWRYUQVCYAAMT-BTYIYWSLSA-N 482.968 5.596 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3nc(C)oc3c2)c1 913087142 IXHFCRALCSLWHN-UHFFFAOYSA-N 481.961 5.423 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914545603 DWVOAJYJHQZTRN-UNMCSNQZSA-N 485.556 5.040 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(F)c2)c1 914772559 DNFPLWXZYURWOV-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CN(Cc1ccc(C#N)cc1)Cn1c(=S)oc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 914783015 BUMBCOKCWNVOPZ-UHFFFAOYSA-N 499.017 5.379 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104177 MSMIOJKPLQSVRK-INIZCTEOSA-N 475.492 6.081 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CC3CCC3)C2=O)c1 915112412 YUEMDXHBGQRNAX-OAQYLSRUSA-N 488.009 5.118 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1cc(-c2ccc(Cl)cc2)no1 915466974 LBBRSSIVOQDUSZ-UHFFFAOYSA-N 491.725 5.150 30 20 JKED COc1cccc(NC(=O)/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)c2ccccc2)c1 916156672 WROUWBNGVRPRHL-NDENLUEZSA-N 451.906 5.271 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)c1 916213165 APQQMLGLWCKZQT-OAQYLSRUSA-N 467.978 5.710 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C[C@@H]1CCCO1 916216852 ZZSKYXLCRVGBAA-RDPSFJRHSA-N 473.598 5.288 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 916217645 SUPKGOKBYOUPEJ-HSZRJFAPSA-N 497.567 5.505 30 20 JKED CCOc1c(Cl)cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1OC 916272672 HRIASYZVCAKAGS-UHFFFAOYSA-N 488.396 6.030 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccccc2F)c1)c1ccc(Cl)cc1 916319745 KPCCWKFWSMWXQO-UHFFFAOYSA-N 451.914 5.161 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2nc(-c3ccccc3)cs2)cs1 916545499 LDXHJHAETMNCKC-UHFFFAOYSA-N 453.980 6.051 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 916884816 HOBTZXHPMFORLJ-HXUWFJFHSA-N 496.748 5.316 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916885361 VAHNCGNHJHCCCP-GOSISDBHSA-N 469.353 5.663 30 20 JKED COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Br 916906951 WPGMQBMRGSRVRM-KRWDZBQOSA-N 465.303 5.211 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916936285 GLOXSLPVLBSVTG-INIZCTEOSA-N 488.258 5.794 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1OC 916944412 DAVFEZPVDKIWSG-KRWDZBQOSA-N 490.368 5.024 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 916954050 XHQLIJBMTKCWEL-UHFFFAOYSA-N 493.361 5.261 30 20 JKED CCOc1ccccc1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916977483 SPEVBXQZHDLVGU-AEFFLSMTSA-N 465.962 5.092 30 20 JKED CC[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1nnc(-c2ccc(Cl)cc2)n1 917042490 CLXCXCVXDKYGRY-HOCLYGCPSA-N 490.898 5.450 30 20 JKED CCCCc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)CC2=O)cc1 917042888 ISYAERJGENIPAS-HKUYNNGSSA-N 450.489 5.003 30 20 JKED Cc1sc2ncn(N=Cc3ccc(-n4cnc5ccccc54)cc3)c(=O)c2c1-c1ccccc1 917566544 JWQMMRDVBSXPKY-UHFFFAOYSA-N 461.550 5.655 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(C)s2)C1=O 917675568 OSPFALUKGUINGN-NRFANRHFSA-N 465.600 5.226 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 917698850 IJTHMZZTOOKBNN-OAQYLSRUSA-N 494.960 5.524 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c1 917712116 DWZKSOMRPVFPDW-ISJGIBHGSA-N 490.673 5.397 30 20 JKED Cc1cc(C)c(N2C[C@@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2=O)c(C)c1 917802982 CAWNQHZESUSIQP-DEOSSOPVSA-N 467.569 5.249 30 20 JKED N#Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)cc3C(F)(F)F)n2)cc1 917844706 CGNLEFYTSWCGKU-UHFFFAOYSA-N 488.310 5.264 30 20 JKED CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 918602252 ICMRYSKSLQKGJG-UHFFFAOYSA-N 457.490 5.142 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 920101537 CXMYSOKIJNKUCO-INIZCTEOSA-N 461.930 5.649 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2c1C 920108624 UXUXJMHCRUIPRQ-HNNXBMFYSA-N 492.598 5.453 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 920353324 HENLUVJBKIFFBQ-OAQYLSRUSA-N 482.993 5.414 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 921224696 RYYHWEUSIYSOLE-UHFFFAOYSA-N 478.382 5.528 30 20 JKED CS[C@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC#N)CCC(C)C)C(C)(C)C 1770448941 ZIENMIUIJLVGBZ-HXUWFJFHSA-N 481.670 5.138 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c3ccccc3n3ccsc23)C1 1780004187 IRRGDUYPCAZWMU-SKCUWOTOSA-N 493.673 5.274 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(Cl)cc2Cl)C1 1781678252 VZWIECAHOQIQSP-WHSBFGAESA-N 493.475 5.208 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(Cc4ccccn4)CC3)CCC2)cc1 1786102276 CJYUWKWJJKBSMB-UHFFFAOYSA-N 486.660 5.196 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cncc3Cl)CCC2)cc1 1786389339 DUHUOYKFWGZBPS-GOSISDBHSA-N 452.407 5.091 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C(C)(F)F)CCC2)cc1 1786545317 YTPINEZISXZKJL-LJQANCHMSA-N 493.595 5.271 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)CCC2)cc1 1786678609 AMFAOOSLEYQJTP-NRFANRHFSA-N 489.682 5.123 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1 1786749133 IINHUAOVZZAQFT-PZVJUEDKSA-N 493.604 5.286 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4coc(C(C)C)n4)cc3)CCC2)cc1C#N 1787028483 RKSBOMLGRJVPOE-UHFFFAOYSA-N 486.572 5.518 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3csc(C)n3)cc2)CCC1)c1ccc(O)cc1 1787527938 NALLQLLNPFIAPN-HXUWFJFHSA-N 473.598 5.102 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5c(Cl)cccn45)cc3)CCC2)cc1 1788386638 DKZUTXMBEJEHEX-UHFFFAOYSA-N 483.959 5.115 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cccc4s3)cc2)CCC1 1789092416 DGPNOMUJRNSLFQ-UHFFFAOYSA-N 495.048 5.584 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)cc2)CCC1 1789192045 SULKDYRLOPGSCX-AGILITTLSA-N 464.654 5.009 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789198788 CAGKMXIQSJIIHX-YADHBBJMSA-N 497.680 5.760 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)CCC2)cc1 1789457838 BKMGVBCHLBHJMW-ZJOVHXHXSA-N 493.648 5.336 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3=C4c5ccccc5C(=O)N4CC3)cc2)CCC1 1790008085 XQHABIXPNLCFFT-QFIPXVFZSA-N 481.596 5.160 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C[C@@H](C)Oc4ccccc4)CCC3)cc2)c(C#N)c1 1790474804 BWVUPFQNTDFTGP-OAQYLSRUSA-N 497.595 5.101 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCCCC(F)(F)F)cc4)cc3)CCC2)CC1 1790810847 VOHFLRLYXOEYCU-UHFFFAOYSA-N 485.506 5.459 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)c1 1790931630 XAOXHTHEJKADFV-SFHVURJKSA-N 479.536 5.827 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCCCO)cc4)CCC3)cc2)c1 1792124942 PTNGHSONAZENMQ-NRFANRHFSA-N 497.595 5.136 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cncn5c4)CCC3)cc2)cc1C#N 1792168486 GPPXJPPBTJSNDN-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C3(C)CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204469 ANNKQQBHMQFPPA-OAQYLSRUSA-N 469.626 5.170 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C(F)(F)CC=C)CCC2)cc1)NC(=O)OC(C)(C)C 1792205241 UOOQLBMBPBAMLK-FQEVSTJZSA-N 491.579 5.191 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C4CC4)cc3)CCC2)cc1 1792239829 IGDPQYSFECYLPT-UHFFFAOYSA-N 465.553 5.262 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)C3)cc1 1792482612 RMUIFVBEJRLAMP-ACDBMABISA-N 489.925 5.115 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1796962142 NNIWWIZUVIGZNQ-KOUNCHBCSA-N 452.982 5.620 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(C)(C)Oc2ccc3ccccc3c2)c1 1799880662 HMJWLIOEUIGXGH-MPPVSAIVSA-N 495.623 5.576 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sc4ccccc4c2Cl)C3)c1 1800766544 PLSSDSZRGJWOAV-REPLKXPHSA-N 463.990 5.300 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nscc23)[C@@H]1c1cccnc1 1802499818 JRKKFPIIXBMUAO-AUSIDOKSSA-N 462.619 5.003 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1803078166 SLMUGSBVMICVQB-KCWPFWIISA-N 486.591 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1803091226 YZCAMDGITNVWEL-XNOGGZAYSA-N 451.655 5.318 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cnn(C(C)(C)C)c3Cl)CC2)C1 1804858700 ZHPRJTAJQLNUIT-UHFFFAOYSA-N 463.066 5.129 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1)C(F)(F)F 1807477793 SUZVFYCMEZHGMU-UKILVPOCSA-N 487.566 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1809488856 HNJVNEUDBQXZDU-BSAXFNKYSA-N 469.585 5.315 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3cccs3)on2)[C@H]1c1cccnc1 1810844365 AJEKGCBRIXDUPD-AUSIDOKSSA-N 478.618 5.110 30 20 JKED C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1811402641 HSWKLORYKYAJLS-PXDATVDWSA-N 483.534 5.101 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811429257 KYRDGBPUPGNINV-GBXCKJPGSA-N 480.008 5.793 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)[C@H]2c2cccnc2)c1 1811924526 NZXGUQULQWRJHP-ITHJLQSDSA-N 480.612 5.021 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1811953799 UOMVELZGCIYIOE-OZXSUGGESA-N 487.003 5.363 30 20 JKED Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c1Cl 1813827327 KSGADRNTUYMVIL-FPDDQMOCSA-N 487.003 5.304 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814935753 QAVKKKZLOAHKCY-FQVRHNBASA-N 468.001 5.333 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1815208480 AYBZWIOROBOVOY-RUZDIDTESA-N 489.620 5.106 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(F)cc4)CC3)n[nH]2)c1 1815628222 HLTSYCRAVUUALL-UUOWRZLLSA-N 485.563 5.214 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1817121047 SKIAULAFYMYGTC-FQEVSTJZSA-N 472.574 5.229 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC#N)n[nH]2)cc1Cl 1817122947 BGIFJZHEXKKANQ-GOSISDBHSA-N 478.380 5.113 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1819359962 JVLOHLMTRNPQHE-XJUOHMSHSA-N 487.044 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cnccc1C(F)(F)F)CC2 1820097003 SMSVPWMXQPHVCS-MRXNPFEDSA-N 494.583 5.094 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820198962 RGXRMPWXWZGEHI-NRFANRHFSA-N 451.546 5.328 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c1Cl 1820220806 BLSHSZCYMIOROO-IWGBCORSSA-N 465.985 5.377 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1)C(F)(F)F 1820435482 YFQSMDOJCHNQPV-AWEZNQCLSA-N 461.271 5.141 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4)n[nH]3)cc2n1 1820485018 LLETTZVBYUTHAM-DEOSSOPVSA-N 498.974 5.411 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)n[nH]1 1821357753 MYINYWWJEMLVGT-JOCHJYFZSA-N 493.608 5.175 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1821922737 OUJIGFSLTVZPJJ-IIBYNOLFSA-N 473.602 5.691 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1821923048 SIUVGWOUICNPIR-NBGIEHNGSA-N 481.600 5.848 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)COc4ccccc4C#N)n[nH]3)sc2c1 1823388594 VYCSOWZSLXTPIW-OAQYLSRUSA-N 499.596 5.189 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1 1823495218 FAHRMKGKNXOCMG-INIZCTEOSA-N 485.396 5.056 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC(F)(F)C3)CC2)cc(C(F)(F)F)c1 1823695148 CNFSDMNXNOQNAL-NQIIRXRSSA-N 497.508 5.246 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C)CCCC3)CC2)cc1C#N 1823849330 XIHNTNNTRJCVHW-XMMPIXPASA-N 465.638 5.159 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1 1824143241 JBONYOUCVPYNBI-OAQYLSRUSA-N 463.544 5.102 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1824957768 XJEKXSCVZLBMPS-QFIPXVFZSA-N 488.053 5.148 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827332056 GLDVJPKQBJKBLY-RUZDIDTESA-N 477.674 5.210 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1)n1cccc1 1827632088 SNEDVKBEJXLTJV-ZDJNHPEVSA-N 474.649 5.390 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(C)noc3-c3ccccc3)CC2)c1 1827715539 WXPJWSUKIDZNGC-AREMUKBSSA-N 496.611 5.377 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c2[nH]1 1828214328 JIKNUEPYSWRIBR-AREMUKBSSA-N 468.601 5.090 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c(Cl)c1 1828418503 HSHQKTYQUUFCLA-QPPBQGQZSA-N 495.973 5.363 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sc(C)cc3[nH]2)CC1 1828832096 YVAZNIDNDARZCZ-NZQKXSOJSA-N 453.652 5.540 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2Cl)CC1)c1ccccc1 1829032068 IUUGQMSESALBSP-ZEQKJWHPSA-N 478.036 5.166 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1C 1829687827 IQBSAPGSYVAYJF-DEOSSOPVSA-N 494.035 5.005 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 1830015771 PSFVXKCEWYYZKI-WOTGAKFBSA-N 461.650 5.398 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1830416530 UVBWHWYNWJBFJU-GJZUVCINSA-N 490.648 5.091 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1830417911 KKGOXKREDGXAID-NIJXNBFTSA-N 490.088 5.500 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1830418784 AGZYYVSUCBIDCE-DYESRHJHSA-N 482.452 5.336 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Br)c2F)CC1 1830503235 JGTGCZOHZSTYRM-OXJNMPFZSA-N 465.407 5.034 30 20 JKED CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC#N)CC2)cc1 1830686591 IOPVJGDCLSHWDR-GJZUVCINSA-N 495.664 5.207 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1830811945 XUDNGIWBJMMKQL-ZEQRLZLVSA-N 466.622 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)CC1 1830951045 ATDNIDOMALWTNH-OZXSUGGESA-N 490.644 5.556 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1831225442 NVPQWGRGPFZTSI-AHWVRZQESA-N 490.047 5.104 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1831225796 OUXXWMPAHUDGKC-TZIWHRDSSA-N 464.984 5.201 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1831371096 RGRWWYCKYDKAIU-PGRDOPGGSA-N 487.019 5.110 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)CCCCC)CC1 1831467881 CVEXQFQORSUNSZ-QTJGBDASSA-N 491.717 5.292 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1832028236 JNDGPRCTHIKOOU-AREMUKBSSA-N 457.618 5.176 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC(F)(F)F)CC2)c1 1832629878 WPKHAGWDCXYNTN-PGRDOPGGSA-N 463.544 5.280 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CC1 1833079114 NUIZXRNLJISCCY-UHFFFAOYSA-N 498.470 5.310 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1cccc2ccccc12 11125759 ABIPJBTZIWHPDF-UHFFFAOYSA-O 470.618 5.888 30 20 JKED C=CCNc1nnc(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 11392963 YXCVZQLYNYMWCK-MRXNPFEDSA-N 461.956 5.170 30 20 JKED C=CCn1c(SCC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC)nnc1C1CC1 12056051 UHSSRPMOZDVXJT-UHFFFAOYSA-N 489.022 5.241 30 20 JKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2n1C[C@H](C#N)CCC#N 14301119 PYOWNHBGUWBVON-HTAPYJJXSA-N 482.415 6.304 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 14872511 PRFWHHPTYQWBFK-UHFFFAOYSA-O 465.904 5.885 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nnc1-c1ccccc1OC 22160494 IUGNHXTYKODFKM-UHFFFAOYSA-N 491.642 5.378 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1sc2ccccc2c1C)[n+]1ccc(Cc2ccccc2)cc1 27310231 SDFJTZBFVONABZ-UHFFFAOYSA-O 471.671 6.193 30 20 JKED COc1cccc([C@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)N2CCCC2)c1 32042290 XQHYIJGYGDGSFR-DEOSSOPVSA-N 457.599 5.285 30 20 JKED N#CCCn1cc(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c2ccccc21 104555247 LKTLUZXOTKRYRN-WADIDORASA-N 469.379 5.015 30 20 JKED CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cccc(OCCCC#N)c1 108737246 ZTGZBDVLXLRYIX-UHFFFAOYSA-N 482.334 5.254 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2ccccc2OC)n1 109452443 AFRCGXUQJFIGHR-UHFFFAOYSA-N 459.321 5.071 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ncccc2OCC2CCCCC2)CC1 109898587 ZOIVBMJIRSHINM-UHFFFAOYSA-N 475.549 5.015 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 195551200 CNGAEJBLVZSKFB-GFCCVEGCSA-N 471.804 5.394 30 20 JKED C=CCn1c(SCc2nc(O)c3c(-c4ccc(C)cc4)c(C)sc3n2)nnc1-c1ccccc1 255927125 GNKVCXABLQUILC-UHFFFAOYSA-N 485.638 6.418 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 303390940 OSIMZWDIPLEVQY-XJKSGUPXSA-N 471.431 5.039 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 499133825 MJUPYJQQZRDZEF-UHFFFAOYSA-N 466.335 5.402 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(CCc4ccccc4)n3)s2)cc1 500127834 WWTJAHGWPJAZRN-UHFFFAOYSA-N 463.613 5.196 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 501763725 RHSLDLFUBJNFKT-UHFFFAOYSA-N 460.480 5.151 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)N(CCC#N)c3cccc(C)c3C)nc21 501870755 MQTBBONQIWNODU-UHFFFAOYSA-N 458.591 5.045 30 20 JKED C=CCN(C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc(C(=O)OCC)cs1 501954249 YKIRNJDCFYYRBY-UHFFFAOYSA-N 456.951 5.238 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 502682479 VWAHOLSXJZVPJQ-IRXDYDNUSA-N 476.390 5.422 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1 507734717 XOBGZTUYGDBNSC-UHFFFAOYSA-N 490.560 5.577 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc(OC)c1Br 507920136 MIGCFHYHGLHNCN-UHFFFAOYSA-N 453.292 5.383 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 508261859 BMNUZDAACXIZKV-MRXNPFEDSA-N 452.605 5.227 30 20 JKED Cc1csc(Sc2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2[N+](=O)[O-])n1 509607570 XYHVDLBYQSVXGX-UHFFFAOYSA-N 454.533 5.422 30 20 JKED CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510056990 OZXYWZHOFDWQAW-QHCPKHFHSA-N 467.013 5.498 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 511838333 NQWCJXNYXSDPPJ-NFQMXDRXSA-N 467.569 5.075 30 20 JKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 513211676 ZSWDNBPBWUTWDE-CQSZACIVSA-N 470.407 5.717 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl 516079461 CWAROAKECYYUCP-XMMPIXPASA-N 492.406 6.776 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2cc(C)no2)nnc1-c1ccc(Cl)cc1Cl 516108536 SJWTYMXPKMRNKV-QGZVFWFLSA-N 478.405 5.190 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)cc1 517479381 OKJYNJHKLGAIOW-UHFFFAOYSA-N 487.629 6.317 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCc3ccccn3)Cc3ccc(F)cc3)cc2)c1 518752102 IETRIDQNCWURRZ-UHFFFAOYSA-N 466.516 6.161 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 518752653 YCZSOWJQVWTEBL-FQEVSTJZSA-N 458.631 6.131 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1 520428964 CFUVMZGVCPMEOI-AWEZNQCLSA-N 453.495 5.710 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 520972691 LPXBRAZLLYLKJV-UHFFFAOYSA-N 469.511 5.580 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 521683183 VKLPQEWFHPCMOF-SFTDATJTSA-N 479.621 5.370 30 20 JKED C[C@H](C#N)CSc1ccccc1N[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 521731476 YWEXJFCOKAYGDK-IQGLISFBSA-N 459.571 5.137 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccccc3Oc3ccccc3)c2)c1 521735957 AKIFLOLCZIXBQD-UHFFFAOYSA-N 477.520 5.184 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 524084924 XYRWIJYZZCUWHN-UHFFFAOYSA-N 490.991 5.053 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 553337301 FGYMHSXSZFVTBR-AWEZNQCLSA-N 464.418 5.420 30 20 JKED CN(C)c1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1F 563726837 YBWWIUWHCBZFGU-UHFFFAOYSA-N 454.342 5.026 30 20 JKED CC(C)Oc1ccc(F)cc1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 589369216 GAUGZWIEXFMIHV-UHFFFAOYSA-N 469.353 5.747 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 591614998 YHFGXORUTIQAQT-HXUWFJFHSA-N 485.487 5.621 30 20 JKED N#Cc1ccccc1-c1ccc(Cn2cnc3c(cnn3-c3cccc(C(F)(F)F)c3)c2=O)cc1 603437428 VOCCRDFYYBINFS-UHFFFAOYSA-N 471.442 5.188 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1I 603641505 CLCJPPZCSQCHLJ-MBTKJCJQSA-N 483.165 5.070 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccc(Br)cc5c4C3)cn2)c1 603692544 KHVYFVDYBDBTNK-UHFFFAOYSA-N 488.345 5.580 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604164223 NNVQOQAUPXGYLI-JOCHJYFZSA-N 485.971 5.901 30 20 JKED Cn1c([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2ccccc2)nc2ccccc21 608793558 FWTFUYFHXOSWAK-AREMUKBSSA-N 474.524 5.543 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 608795631 ARINMRQEAMJWKV-OAHLLOKOSA-N 483.446 5.194 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1Oc1ccccc1 608797614 IMEHNQYMLZNZHR-IBGZPJMESA-N 478.508 5.354 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)n2)cc1 609061758 XVLGEPVDOURHJA-UHFFFAOYSA-N 482.540 5.466 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)cc2F)c1 609103805 BLNJYLQKNFYHNF-UHFFFAOYSA-N 470.504 5.273 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1sc2cc(F)ccc2c1Cl 609381760 XLDHQPGMBZUEFG-UHFFFAOYSA-N 458.889 6.971 30 20 JKED Cc1ccc(NC(=O)NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1 609387244 UVHIATIQXOGMAK-OAHLLOKOSA-N 464.513 5.477 30 20 JKED CC1CCC(OC2CCN(C(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)CC1 609405439 IRXKABFIFYLDTE-KRFYGZOHSA-N 494.035 5.520 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 609435297 DRRDUNAVRVLMDP-JXFKEZNVSA-N 461.006 5.832 30 20 JKED CCCCCn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c2ccccc2c1=O 613314455 PMAQBOFKLSGQCL-OAQYLSRUSA-N 456.571 5.509 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC 613407099 IVENKIUAMBVSCT-AWEZNQCLSA-N 481.917 5.302 30 20 JKED Cc1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2nc(C(F)(F)F)ccc12 618303695 ONTUJZCTVCQDQR-RKDXNWHRSA-N 464.353 5.826 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N(C)C(C)=O)cc2)nnc1-c1ccc(Cl)cc1Cl 620870201 IXFDXDBVRHVUMR-UHFFFAOYSA-N 490.416 5.151 30 20 JKED C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(CC(F)(F)F)CC1 622539424 DDQWNKGVNCVHAK-JTQLQIEISA-N 450.345 5.117 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2N2CCCCC2)nnc1-c1ccc(Cl)cc1 641979090 COMJGOWAACWKGY-UHFFFAOYSA-N 468.026 5.506 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)Cc2cc(C)c(OC)c(C)c2)c1=S 725786347 SYCUWZRCBWQGNC-UHFFFAOYSA-N 456.587 5.033 30 20 JKED Cc1ccc(NC(=O)C[C@H]2S/C(=N/CCc3ccccn3)N(Cc3ccc(Cl)s3)C2=O)cc1 726109148 NQWFHFOYPYCSQL-PZHAEXOUSA-N 499.061 5.176 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2[C@@H](C)c2ccccn2)cn1 726118142 JNYDZBBCUBARNJ-UUOWRZLLSA-N 498.612 5.173 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 726395729 BCFKKMSYZPONKD-ORAYPTAESA-N 481.952 5.004 30 20 JKED CC(C)(CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C#N)c(Cl)c1)c1ccccc1 726404580 ZSUDHQQSKBZLDQ-JOCHJYFZSA-N 495.048 5.180 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2ccc(OC3CCCC3)cc2)C1=O 726414696 DJIWLBBDFFGTPC-XMMPIXPASA-N 495.645 5.063 30 20 JKED C=CCN(C(=O)c1cc(Br)cnc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 726498118 GVBROHVHHIBAKS-UHFFFAOYSA-N 479.743 5.362 30 20 JKED C=CCN(C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 728022252 ODOGPNPILUVUHL-HSZRJFAPSA-N 474.542 5.202 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728271019 SMSYCFKRXKHJBS-GOSISDBHSA-N 454.574 5.399 30 20 JKED CC(=O)N(c1nc(COC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cs1)c1cccc(C)c1C 728371735 DLTXRJGKQNEREO-UHFFFAOYSA-N 498.608 6.081 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccc(C)s1 728424556 DMDMBZFZNMJZOW-QFIPXVFZSA-N 490.610 5.097 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc21 728767264 ZIKIBBXUAMCZDS-SFHVURJKSA-N 458.345 5.173 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1CCCCC#N 728780369 RVVJQNDQCJEQOW-QHCPKHFHSA-N 476.602 5.106 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)c1 729146725 WZKLZINZUWRILQ-NRFANRHFSA-N 489.626 5.046 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ncccc3C)C2=O)c1 729634336 KNYIIVMPMUJFLO-JOCHJYFZSA-N 495.004 5.213 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc2)cc1 729891334 DUQCTUZCGDQWFS-LEWJYISDSA-N 473.985 5.996 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1ccc(C(C)(C)C)cc1 730440500 RBEPNYZZHGXGKQ-UHFFFAOYSA-O 473.662 6.228 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(C3CCC3)C2=O)cc1 730459067 GBIHVIWNIXXMRO-NRFANRHFSA-N 469.994 5.364 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc3cc(Cl)ccc3s1)O[C@H](C)C2 730689719 KIVFLYFCBUDLLE-BGIURUKPSA-N 452.963 5.652 30 20 JKED Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 731062960 LLJNELQIFIVXFH-HNNXBMFYSA-N 451.573 5.308 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1 731077807 PJKJBISKCFEMNL-MRXNPFEDSA-N 478.574 5.047 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(Br)cc2F)cc1 731109972 UQBVNSNTPNUJOZ-OAQYLSRUSA-N 452.327 5.608 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1Cl 743449032 GTLOOBNTPCKBLG-ZDUSSCGKSA-N 480.760 5.740 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccc2C(F)(F)F)C1=O)NC1CC1 745585690 ZTQAJPODEZXUAV-SFHVURJKSA-N 481.927 5.159 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cc(OC)c2c(c1)OCCO2)C(=O)c1ccccc1 747149324 ACFNESCXCUXRGH-KQWNVCNZSA-N 471.553 5.496 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccccc1Cl 748482709 NGOVNQONMVYVSE-CYBMUJFWSA-N 476.751 5.312 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 750704963 WQRCOVIAZMRCCZ-UHFFFAOYSA-N 461.518 5.477 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 750705576 NXVOCUPKNMIDEK-QGZVFWFLSA-N 472.501 5.198 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)cs1 750917242 RNSGEWCCMJXPNJ-GDNBJRDFSA-N 490.984 7.008 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N/C=C2/C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1 751263099 UQSZLSLATODLMH-HKOYGPOVSA-N 488.503 5.394 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 766926854 AGDITXKZFSMYFP-UHFFFAOYSA-N 491.516 5.374 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CC(F)(F)F)C1=O 799219925 ZSQXQBWIOYGDNS-SFHVURJKSA-N 499.942 5.651 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)nc(O)c2C#N)cc1 824940684 ADILQRZUWZDQJN-NSHDSACASA-N 475.357 5.156 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cccs3)C2=O)c1 837301914 PYHPDMRDMKWCAU-NRFANRHFSA-N 465.600 5.226 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1 838039485 DTRYRSFQVWUJRI-HXUWFJFHSA-N 469.563 5.056 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839394774 ZYBLMTGMXBDGOQ-HHHXNRCGSA-N 464.569 5.861 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C#N)c1 856434193 SBRXXJQHWXOUOX-UHFFFAOYSA-N 486.380 5.499 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)OC)c2C)ccc1Cl 912920162 WWAKXBJNXJSIIN-UHFFFAOYSA-N 498.988 5.069 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694744 UCRNOBWPOJXKCQ-ZHRRBRCNSA-N 481.549 5.019 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1 914772656 JPDZWYJSHCGJQH-HSZRJFAPSA-N 477.561 5.133 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102755 GNFCYGKWFBVNFU-MRXNPFEDSA-N 494.350 5.782 30 20 JKED N#C[C@@H](C(=O)c1cn(-c2ccccc2Br)nn1)c1nc2cc(C(F)(F)F)ccc2s1 915104687 JAOWTMZKILYZCU-NSHDSACASA-N 492.280 5.148 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3sccc3Br)cc2OC)o1 915113071 MNIPYMHBTVBQJN-ZZXKWVIFSA-N 477.332 5.374 30 20 JKED CCc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(OCC#N)c(OC)c3)s2)cc1 915113901 XQSAGEGVWNEXRX-SFQUDFHCSA-N 454.939 5.001 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 915729186 GALUBHMAZMFJMS-SVBPBHIXSA-N 479.967 5.840 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 916050618 DJFBPXDSLZGIIO-QFIPXVFZSA-N 454.480 5.547 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(OC)c2)N(C2CCCC2)C1=O 916205616 HYBDABZDOBTJRA-QHCPKHFHSA-N 481.618 5.387 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888157 SGDHRKRAXVFIJW-BDJLRTHQSA-N 485.375 5.592 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2C)cc1 916888382 WXTVTHURJFZESD-OAQYLSRUSA-N 469.513 5.379 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 916903074 KJTXTZCKAUFCRW-DEOSSOPVSA-N 493.611 6.074 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1Oc1ccccc1 916906201 CNVOKIQLGUUDPD-NRFANRHFSA-N 451.482 5.414 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916909607 PXNAITDRCRANBS-FQEVSTJZSA-N 487.968 6.525 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Br 916975788 FLQUBGXXMRXTTC-INIZCTEOSA-N 475.795 6.044 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2cc(Cl)ccc2s1 917045964 DSNGDIWBNARYMX-YOEHRIQHSA-N 458.370 5.332 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046267 IUAGWHRMLVTRNI-NVXWUHKLSA-N 474.369 5.093 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccnc(C)n3)C2=O)cc1 917671511 BZLNKHLRBXESFV-OAQYLSRUSA-N 497.983 5.046 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917696080 GZJXCUQUKDBPIM-LJQANCHMSA-N 475.517 5.326 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C3CC3)CC2)c1 917711759 CKTRUKVRYMAIFG-VWLOTQADSA-N 490.673 5.397 30 20 JKED C=CCN(C(=O)COC(=O)Cc1ccc(C)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919488360 MCKVMTTVGNXHCY-UHFFFAOYSA-N 476.385 5.125 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1 919867552 BFHCZWCFLYVAID-UHFFFAOYSA-N 462.981 5.268 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 919915515 MTQNQEALVBLTAB-UHFFFAOYSA-N 456.546 5.160 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 920105898 IECVQSPBRLVVCS-GOSISDBHSA-N 482.590 5.832 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccccc1Oc1ccccc1 920108673 IUOJBQVNSLMRMD-KRWDZBQOSA-N 493.997 6.207 30 20 JKED CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 920113483 XVKUZVHPJJAEOD-RDPSFJRHSA-N 476.001 5.663 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H](C)c2ccc(C)s2)C1=O 920170890 QHIDYRFSSGRCTQ-BLLLJJGKSA-N 469.604 5.200 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3c(C)noc3C)C2=O)cc1 920353170 CBETYGHGSKITTB-QHCPKHFHSA-N 492.601 5.159 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c(C)c1 920353767 RMLWBTJHIFMVSW-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(O)cc2)CC3)n1 920766694 PNRQUMDNBGASDJ-VWOYCULZSA-N 495.560 5.225 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CCC1 1785785342 LRBXQLMWVQYTOA-UHFFFAOYSA-N 451.473 5.301 30 20 JKED COc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1785978317 UDCWNKHDFXGTNZ-HXUWFJFHSA-N 483.568 5.149 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)[C@@H](S)C(C)C)cc4)CCC3)cc2c1 1786393869 NKRLLWMKMPJSEF-QFIPXVFZSA-N 452.576 5.144 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1788508883 FVTYOPMWPJKIHO-UHFFFAOYSA-N 497.986 5.483 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3csc(-c4cccnc4)n3)cc2)CCC1)C(F)(F)F 1788675963 DOBSFWJURNCHAV-UHFFFAOYSA-N 472.492 5.071 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N(C)C)c4ccccc34)cc2)CCC1 1788990810 ITBZTFBUUMCNHG-FQEVSTJZSA-N 486.616 5.454 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1789449066 KQXGOHIZNBGASG-ZTCOLXNVSA-N 495.664 5.582 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1Cl 1790081989 XHJOSRGCTUXOEI-PKNBQFBNSA-N 490.903 5.174 30 20 JKED CCCOc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)ON=C(C)C)cc3)CCC2)cc1 1790565719 AQJMADPXTISRGT-IBGZPJMESA-N 451.567 5.024 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)ccc4[N+](=O)[O-])cc3)CCC2)C1 1790664070 RYERITXJDBQDLJ-UHFFFAOYSA-N 484.350 5.071 30 20 JKED COC1(CC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)CCC1 1790787333 FVZUEOPOYAGMBI-UHFFFAOYSA-N 485.506 5.284 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CCC1 1791421274 JGSJIAMRIQRWEK-JKHIJQBDSA-N 495.664 5.226 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)ccc1F 1792102929 ANHQSEUMHGYYGR-GOSISDBHSA-N 471.532 5.523 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)c(Cl)c3)cc2)CCC1 1792161220 FVBPTSZMQWJWJC-CQSZACIVSA-N 463.912 5.167 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1792203873 DZPDNURBMYDRRN-SAIGFBBZSA-N 495.664 5.398 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(Cl)cc3)no1)C2 1792571691 DUMJCKFFTWKJQU-ACDBMABISA-N 455.986 5.239 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(CC(C)C)oc2ccc(OC)cc12 1796430760 QPOLUELSVKPELL-WKCHPHFGSA-N 480.649 5.884 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(Br)cc1F)C2 1798332770 ZEXXOGPPMAQKNP-XJUOPJDLSA-N 475.402 5.008 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sc4ccccc4c2Cl)C3)c1 1800684263 CIZCTQFPXTYRLR-MUJYYYPQSA-N 467.953 5.131 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Br)cc3)CCCC1)C2)C(F)(F)F 1801701694 ZTRZNKOEYNTXDS-REPLKXPHSA-N 499.371 5.018 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1C(F)(F)F 1803893855 ZKSZYNVVSOXVGI-BCDXTJNWSA-N 454.920 5.379 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4c(Cl)cncc4Cl)C3)CC2)c(Cl)c1 1804734781 OCDLPGRPQDTUEL-UHFFFAOYSA-N 491.806 5.072 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)cc2c1 1809158551 WHANEUQXVJBZLS-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)no3)C2)CC1 1810372374 KDQGIIXHJCLIHB-UHFFFAOYSA-N 477.939 5.051 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3cccs3)on2)[C@@H]1c1cccnc1 1810849139 WSSHBNOBCAJUDG-XXBNENTESA-N 478.618 5.110 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1812590216 LXYMELFRKKFPSF-WBWMCNGVSA-N 469.585 5.406 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C[C@H](C)c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1812734373 YHBVAWVXWAAUTQ-VXVYPSLASA-N 493.651 5.478 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCc2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1813242747 NZPJMMITMBLFSJ-GTNKKZTPSA-N 459.634 5.105 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1815245908 WJFNRALNIDITJG-XXBNENTESA-N 493.658 5.433 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)c(F)c2)n[nH]1 1817766456 DALFAWLGYBWNSL-QHCPKHFHSA-N 491.542 5.249 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(C)(C)C)s2)n[nH]1)C(F)(F)F 1818344129 VHVKJAZVEILOTH-CQSZACIVSA-N 454.518 5.193 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3nc(C)ccc3c2)n[nH]1 1818674902 DTUUPAYSRUGNOZ-HSZRJFAPSA-N 459.594 5.565 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@]3(F)CCCCC3(F)F)n[nH]2)c1Cl 1818889183 CZHRXLXZINTELR-JTSKRJEESA-N 493.917 5.158 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)[nH]n1 1819554435 ZCIQGHOWQYQJHL-OAQYLSRUSA-N 481.000 5.305 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)cc1 1820230505 GOYQWTUXZQKOIU-OAQYLSRUSA-N 473.920 5.301 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c1 1820428818 AEIVOUJSYWVHPB-NRFANRHFSA-N 479.943 5.013 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823655 MIZGWVWJIYMXGH-AUSIDOKSSA-N 492.023 5.460 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)ccc(Cl)c2O)n[nH]1 1821266315 IZFSFLVUQAICCN-KSSFIOAISA-N 477.392 5.496 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(F)CCCCC3)[nH]n2)cc(C(F)(F)F)c1 1821309883 DLYHVXCTJLXRGJ-IBGZPJMESA-N 491.489 5.278 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(C)cc2Br)n[nH]1 1821360169 IQPYOKQKKLDRQM-HXUWFJFHSA-N 489.389 5.119 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1)c1ccc(O)cc1 1822021185 LJOFSRMEQXAXHR-UEENZAOLSA-N 488.632 5.131 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1ccccc1 1822043800 ACZZAAGHPRXTFX-JTSKRJEESA-N 475.980 5.434 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CC(c5ccccc5)(C3)C4)n[nH]2)c1 1823594616 IMYBEKMMDAMVPK-NVRHSEEHSA-N 493.611 5.465 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)C1 1823702567 RRHXBPBOFGHJMW-DEOSSOPVSA-N 473.642 5.649 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1823752889 QMHQYMGJBUXNMY-IBGZPJMESA-N 454.533 5.524 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1824501363 PDGSRZVKCMARDI-QFIPXVFZSA-N 484.534 5.061 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1824502815 YRERJBRHTYAQNH-MUUNZHRXSA-N 490.644 5.695 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827779652 VESGHAMJEIAMRP-JOCHJYFZSA-N 465.560 5.125 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)cc1 1828009845 PBIAQRJNDMYBOL-HHHXNRCGSA-N 451.570 5.259 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828191100 BMIHDZPOOSMCET-XMMPIXPASA-N 478.709 5.717 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)nc2ccccc12 1828216017 WLPVVPNPHFJTEW-MHZLTWQESA-N 484.575 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1828829580 DWAFGPBVTYHRLC-OOJACJHHSA-N 468.613 5.236 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)ccn3)CC2)c1 1829353216 HEOKLLIKIOXZGE-MHECFPHRSA-N 498.549 5.275 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829572107 OZYPEWQAOCIFFK-DEOSSOPVSA-N 469.585 5.075 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1829708904 YSJMJIRXLMXAOF-DVECYGJZSA-N 499.051 5.326 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)CC2)C1 1830731609 WWSAHSPADCCKAN-XMMPIXPASA-N 499.627 5.372 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830878257 JOJZMQRZCPOXSF-JOCHJYFZSA-N 475.967 5.333 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1832028216 IUXXTIFWYRNWDD-XMMPIXPASA-N 481.036 6.027 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3F)CC2)c1Cl 1832393360 NTERZKMBUAOCLE-XMMPIXPASA-N 481.999 5.217 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1 1832556133 RTGLAEWFEUJXRL-HHHXNRCGSA-N 455.602 5.291 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1F 1832620551 JVRBJNKMLKVBJY-SANMLTNESA-N 479.571 5.011 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c1 1832631218 BFIZTVGYBOYMEK-IBVKSMDESA-N 469.585 5.607 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)CC1 1838424664 UXVIEKMAPIXWCO-QHCPKHFHSA-N 487.084 5.361 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc5c4CCCC5)CC3)CC2)c1 1838822611 XLKNFGLYAVXHQH-JOCHJYFZSA-N 499.655 5.118 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1841627311 VMYYTKVZAJKCGJ-RUZDIDTESA-N 474.626 5.404 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)n2C2CCCC2)cc1 8929436 NJWQHTOWLCLRAR-VWLOTQADSA-N 451.640 5.258 30 20 JKED N#Cc1c(NC(=O)COC(=O)c2ccccc2CSC2=NCCS2)sc2c1CCCCC2 9556269 BCFUGDAIRCPGKB-UHFFFAOYSA-N 485.656 5.020 30 20 JKED C=CCn1c(SCc2ccc(F)cc2Br)nnc1[C@H]1COc2ccccc2O1 9756275 FJUJSIIFLVGBAJ-GOSISDBHSA-N 462.344 5.171 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872301 QSYXSRKHVKEZSF-UHFFFAOYSA-O 476.424 6.732 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H]1COc2ccccc2O1 16726595 AECVRZGGIZZHDN-QRWLVFNGSA-N 470.982 5.058 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccc(Br)cc1 21339563 UUSWPYQFZDTXHH-UHFFFAOYSA-N 499.434 5.463 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(Br)cc2)o1 21765965 PEGKRSGSJDRSKE-ZDUSSCGKSA-N 464.410 5.256 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 22141372 DVNDNMXYAGQNBN-UHFFFAOYSA-N 451.356 5.619 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccco1 23202088 GBJUHPVJCFQXRA-CYBMUJFWSA-N 455.540 5.106 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(NCc3ccc(F)cc3)s2)c1 28122655 OWCICWOAMINTHJ-QGZVFWFLSA-N 469.611 5.334 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)nnc1-c1ccco1 29549647 LPAQZYKZEWTCML-UHFFFAOYSA-N 452.605 5.422 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2cc3ccccc3cc2c1=O 31747450 SVIAOJDCUBVDBK-QGZVFWFLSA-N 474.561 5.136 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1[C@@H]1COc2ccccc2O1 32324844 APRKIJZDCORQCU-SFTDATJTSA-N 485.009 5.385 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 60017627 NPMYLDLQEQFMPH-UHFFFAOYSA-N 456.365 5.413 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)Nc2cc(C)n[nH]2)ccc1Cl 71962693 PIUIXULACOJYPQ-UHFFFAOYSA-N 498.914 5.024 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(SC(F)F)c(OC)c2)cc(Br)c1O 72047598 MIOPPLCQRDYRAO-GQCTYLIASA-N 459.308 5.773 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 104800281 BXODQCPFFJLNAB-UHFFFAOYSA-N 494.627 5.247 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 105708423 UWAXEAMTAZYGSP-OALUTQOASA-N 497.068 5.279 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cnn1-c1cccc(C(F)(F)F)c1 195662564 HRCZDWXNASSWRH-KRWDZBQOSA-N 453.449 5.208 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 303354716 OLUNQVVQONUQMM-HNNXBMFYSA-N 498.402 5.870 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)c2)cc1 409811221 KKCBVMIGGDFBDU-UHFFFAOYSA-N 460.961 5.672 30 20 JKED N#C[C@@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 481854514 HFTHDXMJSNRKIY-HNNXBMFYSA-N 462.378 5.067 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1Cl 487096521 XNVDYQDORACBSC-SQJMNOBHSA-N 489.978 5.554 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1C#N 491195201 HNQBIDAAWPAWKI-OAHLLOKOSA-N 474.561 5.435 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)nnc1-c1ccc(Cl)cc1 499597360 MNHRZQDSFMATCC-UHFFFAOYSA-N 496.036 5.060 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 500177225 NCYCVZQPRWDVGM-UHFFFAOYSA-N 460.843 5.166 30 20 JKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 501581549 QODGXQJKKPUMDX-IBGZPJMESA-N 450.608 5.157 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)COc1cccc(NC(=O)c2ccco2)c1 501765792 FEGLARKYLRXYFA-UHFFFAOYSA-N 487.325 5.027 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1ccccc1Sc1ccccc1C#N)O[C@H](C)C2 504498360 MWJFCTBFZDUQPN-FRGLQRNOSA-N 470.594 5.717 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 505021870 YFJXLYNBSOKHKM-NYHFZMIOSA-N 486.403 5.216 30 20 JKED C=CCN(CC=C)C(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1Cl 507725231 MLIUAUIQWLDHSB-UHFFFAOYSA-N 495.748 5.403 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)cc1 509208121 DALYQAKUWYQZFH-SFHVURJKSA-N 460.397 5.066 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 509260511 QVALKUMFEFFVCB-CQSZACIVSA-N 455.634 5.697 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 512048930 IDDFUDWVLRZAHR-HNNXBMFYSA-N 462.497 5.073 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2[C@@H](C)c2ccccc2)n(-c2cccc(F)c2)c1C 515563449 LHLNOSMLDPWJHZ-SFHVURJKSA-N 474.565 5.037 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(OC(F)F)c2)c1 516397363 WWPIJQWVPIZGND-UHFFFAOYSA-N 453.470 5.143 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 516415501 YMZSQMSPYIZCNQ-HNNXBMFYSA-N 483.355 5.519 30 20 JKED Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517825140 YTFPUHOFTQRDBL-QHCPKHFHSA-N 483.959 5.433 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 518127529 CXAXRHXTKLULQP-MRXNPFEDSA-N 476.627 5.110 30 20 JKED C=CCN(C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 518233516 JVJSCIPWSYBMGU-HXUWFJFHSA-N 491.555 5.077 30 20 JKED N#CCCCOc1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 518835018 SWFKQSFYUKXYLD-UHFFFAOYSA-N 454.505 5.542 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1C 520457976 MQMAXWOPVTWYHR-UHFFFAOYSA-N 463.541 5.585 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccccc2F)n1 520821557 LCKGLNSTOVOQQT-HNNXBMFYSA-N 457.621 6.073 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 520928039 FOTTZOPMYXSLRH-KRWDZBQOSA-N 451.621 5.318 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nnc2ccccn12 523201865 UYWHRPIMVFBRJK-JOCHJYFZSA-N 460.925 5.565 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)s2)c1 524389818 ACFHYCWWKDZAQK-UHFFFAOYSA-N 475.035 5.363 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 551889357 OYWPGYYRLQXYQD-NRFANRHFSA-N 464.491 5.422 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 561118535 DEANHEQEJXJNKL-MRXNPFEDSA-N 459.019 5.049 30 20 JKED C=C(C)COc1cccc(NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)c1 589738926 FEBZTGZQCUEOAC-UHFFFAOYSA-N 459.546 5.361 30 20 JKED Cc1ccc(-n2c(SCCC(=O)Nc3sc4c(c3C#N)CCC4)nnc2-c2ccncc2)cc1 589946885 QKWLRUVGVWSKDI-UHFFFAOYSA-N 486.626 5.181 30 20 JKED O=C(Nc1cc(F)ccc1Oc1ccccc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590189005 ZFNBWIBFRHHPFF-STQMWFEESA-N 478.364 5.146 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 590325444 OSEHWMZAEPNSQP-UHFFFAOYSA-N 487.987 6.226 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 597725878 CIANVGLABCLXGU-AWEZNQCLSA-N 481.931 5.446 30 20 JKED COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OCc1ccc(Br)cc1 603682150 ZHUHREYTEYVFHG-QGZVFWFLSA-N 451.364 5.759 30 20 JKED N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)cc1 603697548 CVYDYYHUHBSVFJ-FQEVSTJZSA-N 477.351 5.233 30 20 JKED N#Cc1cc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)ccc1OCC(F)(F)F 603709238 SGJLFYLIGNAJIS-HSZRJFAPSA-N 493.441 5.090 30 20 JKED N#Cc1cc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)ccc1OCC(F)(F)F 603897947 RASOZLQZDOWFSC-UHFFFAOYSA-N 480.446 5.067 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 604004658 IEBPJYPPDOEAFB-SFHVURJKSA-N 459.571 5.409 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccccc32)cc1Cl 604131522 FCAQEIRBDMSTDS-IRLDBZIGSA-N 461.974 5.287 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccccc32)cc1Cl 604131524 FCAQEIRBDMSTDS-UNMCSNQZSA-N 461.974 5.287 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N(Cc3ccccc3)Cc3ccco3)c2)cc1 604158351 NCXYNFSNPQUWES-UHFFFAOYSA-N 479.536 5.092 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)cn2)c1 608786000 JYNCTCSYCJCYOD-UHFFFAOYSA-N 451.442 5.113 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(CCCc4ccccc4)cc3)CC2)c1 608841331 NHLHENZJWDACCQ-UHFFFAOYSA-N 466.585 5.616 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 609078143 CXJHFXGYQARGIR-UHFFFAOYSA-N 477.008 5.695 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OC(F)F 609078689 IIEPIQHELKRNTQ-UHFFFAOYSA-N 481.499 5.720 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C(C)C)cc1 609085296 MDNROYHWHUMGQT-RUZDIDTESA-N 491.975 5.251 30 20 JKED COc1ccc(OC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)cc1 609123742 QPWJABWVCZIQJO-UHFFFAOYSA-N 475.520 5.360 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 609164831 XLZBXBYQXNOGNX-HXUWFJFHSA-N 462.962 5.867 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Br)cc1 609379075 QUMCTMKBCHSFOM-UHFFFAOYSA-N 465.316 5.274 30 20 JKED CC1(C)CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)[C@@H]1c1ccccc1 609403227 FSXDEGWZNYEVBD-LJQANCHMSA-N 461.509 5.259 30 20 JKED Cc1cccc2sc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c(Cl)c12 613289910 RMGFCRWCMOTGFO-GFCCVEGCSA-N 453.976 5.942 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 613407027 DHCCCKKCMNKTMA-HNNXBMFYSA-N 469.950 6.201 30 20 JKED CC(C)(C)n1ncc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1C(F)(F)F 622585443 ZGCIGNOLVOKVKV-GOSISDBHSA-N 451.386 5.387 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1 623708939 UAUOQYYIHNIOPH-UHFFFAOYSA-N 473.220 5.282 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 677814907 PUKWQMPFEZCYFD-SJORKVTESA-N 498.722 5.181 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC(C)C)cc1 726414572 CCCCOKBTTOSKQJ-DEOSSOPVSA-N 491.613 5.234 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(OC(C)(C)C)cc1)c1cccs1 726414906 DGGYKHKXMYVZSE-DIUXXVEUSA-N 485.675 5.155 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2C)ccc1Cl 727093239 JZBXDDJUXJAXDP-UHFFFAOYSA-N 470.978 5.291 30 20 JKED N#CCOc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 727675463 ANJRUZWEKQDYIA-UHFFFAOYSA-N 487.357 5.134 30 20 JKED N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(SC(F)F)cc1 727954060 UJTHBMGDSIRZAM-NRFANRHFSA-N 458.530 5.603 30 20 JKED Cc1c(NC(=S)NN=C(Cc2cccc(Cl)c2)CC(C)C)c(=O)n(-c2ccccc2)n1C 728155581 UCOPIEOPJZHYJR-UHFFFAOYSA-N 470.042 5.069 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 728181356 CRFVKDMBINQYQD-UHFFFAOYSA-N 464.537 5.093 30 20 JKED N#Cc1ccc(N2CCC[C@H]2C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 728348594 PFLDGKXXTWLMMA-HNNXBMFYSA-N 487.170 5.323 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)cc1 728779308 XZGJEIGQLCDLRK-OAQYLSRUSA-N 482.993 5.197 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729141972 GZOXUSDNDFUFQJ-JOCHJYFZSA-N 492.670 5.846 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 729892710 HSBXTYUKSWKJNT-HXUWFJFHSA-N 462.531 5.207 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)c1 730460322 XQFYNTXBVLSKED-FQEVSTJZSA-N 491.972 5.009 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@@H]2CCCO2)c1 730530531 GCFATBBPUFCGIQ-GMAHTHKFSA-N 465.619 5.005 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1 730531427 WSUHUYKOBWNHMD-QFIPXVFZSA-N 480.540 5.083 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 730944469 WYFXINSLDZIPKF-YCRPNKLZSA-N 482.968 5.596 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731070341 QBGLEFHHPMMDIP-CYBMUJFWSA-N 457.602 5.227 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1ccc(Cl)cc1 731070409 LDBXSLNDYMOYES-QGZVFWFLSA-N 497.020 5.839 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731107594 GXRHQVXHOKKSPQ-MHZLTWQESA-N 473.548 5.562 30 20 JKED N#CCOc1ccc(CSc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3o2)cc1 731157850 KXRRHSPQLRZXGH-UHFFFAOYSA-N 485.974 5.477 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1 743524681 LVFDBWPVOFDZSS-HXUWFJFHSA-N 473.476 5.166 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(Br)s2)cc(I)c1OC 745020640 GCUJMVIZPWGTSA-ONEGZZNKSA-N 479.133 5.029 30 20 JKED CC(=NNc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1)c1c(C)nn(C(C)C)c1C 746488818 LVOGGNVYLWOGJC-UHFFFAOYSA-N 456.594 5.739 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 767314388 NUEGQJVLSRYRNQ-UHFFFAOYSA-N 463.118 5.608 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(F)(F)F)cc1 799220384 AXZYJVNVUXAXCE-GOSISDBHSA-N 465.497 5.182 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N([C@H](C)c2ccccn2)C1=O 838232051 KEDLHLNWCRGENF-HXOBKFHXSA-N 492.576 5.259 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2ccc(Br)cc2)o1 839414621 PFTZGKBDWWMFPO-UHFFFAOYSA-N 499.390 5.449 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccc(OC)cc2)c1 914279886 GKWSQDQGNJQGOR-GOSISDBHSA-N 485.005 5.221 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1Cl 914551450 DNOWEPBDJRBNSW-VGOFRKELSA-N 479.005 5.134 30 20 JKED COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915086788 XCHWMDGOTWEYFA-SANMLTNESA-N 461.521 5.855 30 20 JKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCc1cscn1 915086931 YMDPTLRXYYYFHU-HSZRJFAPSA-N 455.539 5.638 30 20 JKED N#C[C@@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2ccc(Cl)cc2)cs1 915101544 IHYRRCYJPWFKIG-IFXJQAMLSA-N 474.394 5.796 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2sccc2Br)cs1)c1ccc(F)cc1F 915113466 QWLTYCMIHDGTIN-HYXAFXHYSA-N 469.332 5.826 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 915782376 ZVSSUSJYYIWKLN-DFHRPNOPSA-N 473.576 5.617 30 20 JKED COc1cc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)ccc1OC(F)F 916127000 UEWMJJZRJJOWMV-DUXPYHPUSA-N 478.083 5.423 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(C)c1 916206820 SQHLQLRRQKNNLH-HSZRJFAPSA-N 461.587 5.145 30 20 JKED CCCCC[C@@H](C)CNC(=S)NN=Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 916276103 LAUCTXASTFHYDU-CQSZACIVSA-N 467.611 5.120 30 20 JKED CCCOc1c(Cl)cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cc1OC 916541490 XYTGCGMDNZWHGQ-UHFFFAOYSA-N 459.999 5.368 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 916546481 TWTDSZJSFNZUEK-UHFFFAOYSA-N 486.004 5.413 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1 916909672 TUGUFOWXUUXJPD-IBGZPJMESA-N 456.970 5.469 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 916915476 KEBDOJXSNRLIQN-NRFANRHFSA-N 485.531 6.062 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)n1 916918935 SWZMSZXPMYQCBZ-NRFANRHFSA-N 457.580 5.858 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916945390 ABDAJGRWSCHYML-KRWDZBQOSA-N 490.343 5.716 30 20 JKED Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976304 AZBHKXPIOMQDKO-SFTDATJTSA-N 466.006 5.793 30 20 JKED CCc1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1=O 917042225 DLTASHHIIVDRQQ-HOCLYGCPSA-N 457.477 5.107 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1Cl 917043382 IEBFCIZQPAMCGO-AWEZNQCLSA-N 482.414 5.124 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)cc1 917044355 STTBYFMDACZGPV-HOTGVXAUSA-N 465.884 5.412 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccnc(C)n3)C2=O)c1 917686948 ILLLBXVAWHKOBF-HSZRJFAPSA-N 491.592 5.010 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CCc2ccc(Cl)s2)C1=O 917696598 XKWJUZYDZJDBOV-CQSZACIVSA-N 476.838 5.019 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2C#N)s1 917704446 VJNZGLZBSUMPPS-NRFANRHFSA-N 478.574 5.228 30 20 JKED CC(C)(C)OC(=O)N1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 918052272 ADRPUFNJQGDDKK-UHFFFAOYSA-N 470.957 5.479 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918733964 BWYIBXUFNDQHLR-IYBDPMFKSA-N 464.479 5.596 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)nn2-c2ccccc2)cc1 920105365 DBIYNPLXGTTWGP-QHCPKHFHSA-N 474.520 5.543 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 920140834 BWEVSKCVGLZIGP-HSZRJFAPSA-N 468.534 5.305 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O 920172246 HCJWRGAYTRGMCP-FQEVSTJZSA-N 497.573 5.054 30 20 JKED C[C@H](OC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 926103180 OEWFQWIMYUZNDX-AWEZNQCLSA-N 457.914 5.095 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)CCC1 1786289157 GXXMRFPBEVMWJB-OALUTQOASA-N 453.608 5.102 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789200010 NMUPXQVIYNBNBQ-UHFFFAOYSA-N 481.637 5.146 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)CCC1 1789870013 DKCZOYOOTSGDDJ-SFHVURJKSA-N 495.929 5.075 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3cnc4ccccc4c3)CCC2)cc1 1790563696 ILHSIRDKKUGBCZ-FQEVSTJZSA-N 472.589 5.102 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(C)cc3)CCC2)cc1 1790564685 LLYDTKJVZRLENW-NRFANRHFSA-N 484.600 5.606 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCCCC4)cc3)CCC2)cc1 1790567726 PDLVLWFSWDLETO-OAQYLSRUSA-N 476.621 5.226 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)oc2ccccc12 1790707788 QPWBCODSVHYATQ-UHFFFAOYSA-N 463.537 5.869 30 20 JKED COc1cccc(OC)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767706 GJDJCGWIILKISG-UHFFFAOYSA-N 489.959 5.290 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4c(F)c(F)ccc4c3)cc2)CCC1 1790963526 GIJBXAUIWUQGAW-UHFFFAOYSA-N 479.527 5.244 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5[nH]c(C)cc5c4)cc3)CCC2)c(C#N)c1 1790988950 QIYALQCJWUOMCK-UHFFFAOYSA-N 492.579 5.347 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c(C5CC5)c4F)CCC3)cc2)c1 1792122236 HFUNNTQHDQZOCJ-INIZCTEOSA-N 471.536 5.115 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c(C(F)(F)F)o1 1792123579 JXGUTLVNJLMDHI-OAHLLOKOSA-N 496.489 5.690 30 20 JKED C[C@@H](Cc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126941 OLCRPCWAIHNEMD-SFTDATJTSA-N 466.585 5.335 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)n3cccc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205228 RRTQPFIQCRPYMG-OFNKIYASSA-N 494.636 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(Cl)c1)C2 1798591952 URTQONHSPKEJSW-BJWYYQGGSA-N 467.835 5.347 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(F)F)cc2Cl)C3)c1Cl 1799303137 DEQOOMIHNGKGBK-QDMKHBRRSA-N 494.325 5.032 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(Cl)cccc2Cl)cc1C#N 1799550115 ZGFOTNWRBXAJCX-REPLKXPHSA-N 486.399 5.218 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc(Br)ccc4s2)C3)c1 1799602093 QEVSDEDBEOAIOW-ACDBMABISA-N 494.414 5.101 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2oc(-c3ccccc3)cc2[nH]1 1801079418 VUOIXRDQECOJRQ-NUNAXRQHSA-N 497.982 5.385 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3ccccc3c2Br)cc1 1801097158 UNVDRTMAYCMEQF-WKCHPHFGSA-N 488.385 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2F)[C@@H]1c1cccnc1 1802494043 AYOSKQMZTCHFFE-GBXCKJPGSA-N 462.569 5.014 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1802504046 UZROBILLBCRMSF-WIYYLYMNSA-N 482.675 5.373 30 20 JKED N#Cc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)c1 1802957651 CUYUBEVTYPCUBZ-MDQYPOFQSA-N 498.671 5.198 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@H]1c1cccnc1 1803077292 JGPFNCRGNBGTES-CUBQBAPOSA-N 498.627 5.173 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1803092630 XWLUVNFKMJCCKK-NAKRPHOHSA-N 486.660 5.160 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1C(F)(F)F 1803859705 BEHWTMZHUQPNBH-REPLKXPHSA-N 482.594 5.147 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)s1 1804468462 ZHIUZJAYXMHKCC-HOFKKMOUSA-N 495.765 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)C2)CC1 1805946021 IJQOXNFCCLANNJ-RPWUZVMVSA-N 452.639 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1808740066 IOTUVDRMORGTSF-LSYYVWMOSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cn(-c4ccccc4)c4ncccc34)C2)CC1 1810451263 KGQXKKMALUPPTQ-QFIPXVFZSA-N 470.617 5.083 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1812516554 TUUWUWIZXCGFKW-XMSQKQJNSA-N 496.385 5.238 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)cc2C)[C@H]1c1cccnc1)c1ccccc1 1813987084 WIHBUHFVMYGTLU-SAAIGDAKSA-N 483.587 5.046 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[nH]n2)C1 1814396948 MUSWWSPVTQHUGF-MRXNPFEDSA-N 484.881 5.493 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)[nH]n1 1815207682 HPNSGLUEJRKXRI-IBGZPJMESA-N 479.408 5.314 30 20 JKED Cc1ccc2[nH]cc(CC(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)c2c1 1815792017 BJGZCCVONSUVRA-NIYFSFCBSA-N 494.599 5.375 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(C)c2F)n[nH]1 1818435595 TZRPULPDTFWPKG-IBGZPJMESA-N 489.389 5.119 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1819305215 QSDGOWWEUGBZDI-DENIHFKCSA-N 493.995 5.792 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)[nH]n1 1819309955 LXPHHKRIIUOTCE-CTNGQTDRSA-N 474.527 5.432 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820101385 HNPCKWJUJMWYKN-QFIPXVFZSA-N 487.629 5.951 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccccc3)[nH]n2)c1Cl 1820221553 XFPCQQOROVGXSE-SJBKTWHCSA-N 473.964 5.044 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)CC1 1820976826 XZLPLDCYEBIQOX-IBDYFIJFSA-N 482.650 5.509 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3Cl)[nH]n2)c(Cl)c1 1821277309 USKFRNDDMHCIGC-FQEVSTJZSA-N 468.344 5.208 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821279145 ZRLHJLVGKOHACK-FQEVSTJZSA-N 498.370 5.216 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)[nH]n2)c(Cl)c1 1821280032 NFOVVYGEOAVOLA-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](C)Oc2ccccc2)n[nH]1 1821782305 WCBXCPFEQOFEKT-WMZHIEFXSA-N 450.583 5.028 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212742 MXMNJCKFFSFBKC-WAIKUNEKSA-N 475.980 5.618 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)C1 1823704852 YCDAKWJIXLKQFK-OAQYLSRUSA-N 452.492 5.044 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1824507973 GVJNTJAVMSTISO-WXVAWEFUSA-N 492.660 5.208 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)c1 1825574607 GBMJECZGCSLGCW-HHHXNRCGSA-N 484.575 5.240 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSc3ccccc3)CC2)c1Cl 1826519140 BJCAPOPGHZVCMW-HSZRJFAPSA-N 482.049 5.237 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(Br)cccc4c3)CC2)CC1 1826683215 RKYTYJNAGZLYKG-QHCPKHFHSA-N 494.433 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)CC1 1827711952 MCRTWGRDTVNLJA-CLJLJLNGSA-N 474.649 5.182 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cnccc3n2)CC1)c1ccccc1 1828119077 ZPBPTLWFBUYQLQ-WNJJXGMVSA-N 494.639 5.060 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c(Cl)c1 1828190179 GDPUYYKJZNPSPG-HSZRJFAPSA-N 475.976 5.505 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1)C(F)(F)F 1828357090 OQBMZGUYQXLGPU-LCCNJJIFSA-N 460.496 5.184 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828741906 WBIRILIFKZRWOD-QHCPKHFHSA-N 472.029 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(Br)cc2C)CC1 1829066206 VAYKHSKLHVHWCK-NRFANRHFSA-N 490.486 5.378 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829451029 JKMZPYJMISOOBS-NVXWUHKLSA-N 463.496 5.243 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)c2[nH]1 1829690329 WPYBKSDUHBXNOT-XMMPIXPASA-N 489.019 5.549 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3cccc(F)c3)CC2)cc1 1830013017 NNDUKMNHCUTSTE-HHHXNRCGSA-N 496.586 5.306 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)CC2)cc1 1830581254 BYHKMZDGIJSBPH-RUZDIDTESA-N 495.570 5.026 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2F)CC1 1830686590 OVQJMYQGHYRDCW-LJQANCHMSA-N 498.824 5.025 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 1830719031 TYXFASBOZDUYOE-HSZRJFAPSA-N 488.390 5.551 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c(Cl)c1 1830723042 VDEDTUOBNUNLOE-HSZRJFAPSA-N 495.410 5.284 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1831840329 HMADTJFDRKDGBA-OPAMFIHVSA-N 489.479 5.154 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831859351 OMWUFPBRRWFEJD-URXFXBBRSA-N 468.041 5.437 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(Br)cc2C)CC1 1832029733 NWQWPYUTLYQLKB-LJQANCHMSA-N 479.484 5.246 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832629596 URDUYTBIWNAJQP-DCFHFQCYSA-N 474.649 5.125 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832720434 VCBYBLIKWNGSQZ-IBGZPJMESA-N 489.896 5.799 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1832747532 NLTXEYKIFJPPTE-JOCHJYFZSA-N 489.607 5.116 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(CCCCC)cc3)CC2)CC1 1835683665 RGVDMNUPVJPPNY-GDLZYMKVSA-N 493.736 5.302 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)CC1 1838682177 XDNCORDBKRGUIB-UHFFFAOYSA-N 496.598 5.486 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1838759569 XYDHGSACEKATAH-VXKWHMMOSA-N 467.654 5.142 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1-c1ccccc1 9448470 HBLCGTPENXVBGL-AWEZNQCLSA-N 477.640 6.011 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 9847860 YQPFZPCVQGPCSF-UHFFFAOYSA-N 498.338 5.234 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(CO)c1)c1ccc(F)c(F)c1 10171027 IYIAWCTYUKAJFR-UHFFFAOYSA-O 491.539 5.588 30 20 JKED C[C@](C#N)(NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C1CC1 11021437 BZYICMFZNDCGPL-JOCHJYFZSA-N 458.509 5.004 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2cccc3ccccc23)cc1 11125473 SPKDNNPRXVFANF-UHFFFAOYSA-O 487.648 7.408 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc3ccccc23)cc1 11125736 OHBSPABIPPCLOC-UHFFFAOYSA-O 470.618 5.888 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(C)c1 11208781 WCENXBOXVWCYNI-SANMLTNESA-N 466.610 5.832 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 21037789 KVFYSMZUEWDRRW-UHFFFAOYSA-N 464.594 5.307 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc(Cl)cc1Cl 21848201 ZMWMTIQPGBZNFH-QGZVFWFLSA-N 479.458 5.955 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1C1CCCCC1 22283574 DXBPMXFBAMTAQM-GOSISDBHSA-N 479.606 5.479 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730774 PQIQOHBIFVXVQK-UHFFFAOYSA-O 481.641 5.692 30 20 JKED COc1cc(C#N)cc(Cl)c1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 25217244 RAHWWBBYUBRNQF-IBGZPJMESA-N 470.312 5.223 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H](c3ccccc3)N3CCCC3)c2)cc1 71919678 IWHRYNTXLWCMIZ-MHZLTWQESA-N 454.574 5.290 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCC(=O)Nc1ccc(Br)cc1 72012445 WPMAOWWSXYUYAQ-UHFFFAOYSA-N 480.387 5.231 30 20 JKED COc1ccccc1/C=C(\C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 96481883 ZUIYLQOALUSUHZ-QFBZFQIZSA-N 454.526 5.114 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1[C@H]1COc2ccccc2O1 115027541 UHFGYDWDWGZTHJ-XMSQKQJNSA-N 478.618 5.528 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 195669688 ALFDUMAUCXXTNB-UHFFFAOYSA-N 485.968 5.262 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)CC2)cc1 302958733 FOYSPSRKFVVCBX-UHFFFAOYSA-N 471.413 5.337 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1 303163578 PVZNVMVOUQYNFN-UHFFFAOYSA-N 458.499 5.064 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 303321401 UHEVEKXKWIGPFW-CQSZACIVSA-N 458.012 5.118 30 20 JKED N#Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)c1 478474103 HYMFYNYDMJNUKM-MHZLTWQESA-N 458.521 5.173 30 20 JKED COc1ccc(Sc2ccc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc2)cc1 481572778 KQRALAJSZKARHL-UHFFFAOYSA-N 458.587 5.068 30 20 JKED C=CCN(Cc1cccs1)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 493153735 FYSLNLWTIKFNBS-UHFFFAOYSA-N 467.641 5.573 30 20 JKED C=CCc1cc(CNC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc(OC)c1OC 497340905 XDHPCAPHDJBFCK-UHFFFAOYSA-N 468.550 5.124 30 20 JKED C=CCN(C(=O)CCc1c(C)nc(O)c(C#N)c1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 499120194 XOHYVBCUNZBWSP-UHFFFAOYSA-N 494.620 6.218 30 20 JKED Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc1 500918199 LSMZQTFEFBXVNK-UHFFFAOYSA-N 470.573 5.006 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1F 503268243 WJLGTDNRJATQLT-UHFFFAOYSA-N 474.536 5.551 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 505626320 QRIIJIZDWYFEOI-UHFFFAOYSA-N 473.529 5.727 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NCc3cccc(COCc4ccccc4)c3)CC2)c1 510841839 LFQSRTQOSYTHDZ-UHFFFAOYSA-N 455.558 5.028 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCOCC1 510842371 PCDBMHSTUIDNNK-UHFFFAOYSA-N 499.611 5.519 30 20 JKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)ccc1Cl 510865511 CBXKRCCMWLXDSC-UHFFFAOYSA-N 460.965 5.538 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 513883299 ZRXMWNJEJZCBPX-MHZLTWQESA-N 456.565 5.246 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 516081454 BUTDONNWQGUIQF-UHFFFAOYSA-N 481.474 5.245 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3ccc4c(c3)CC(=O)N4)cc2Cl)c1 517101213 WXYWQEVEGILJMU-UHFFFAOYSA-N 459.933 5.247 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 517781222 QPIXTNUGQYUZKR-UHFFFAOYSA-N 460.965 5.931 30 20 JKED O=C(CCCCC(=O)Nc1cc(C(F)(F)F)ccc1F)Nc1cc(C(F)(F)F)ccc1F 519228223 LCVYDZXLQDUXMB-UHFFFAOYSA-N 468.344 6.140 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 519413312 OMCQARFXLWPLHX-MRXNPFEDSA-N 488.642 5.886 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccc(C)cc2)cc1 520009475 BINRGKNVMBOZEK-NDEPHWFRSA-N 491.547 5.512 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)n2)cc1 520558853 QNKQDYBONWKVGE-UHFFFAOYSA-N 454.486 5.371 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1OCC 520962498 FSIWBSUQYAUWRJ-QGZVFWFLSA-N 473.411 5.390 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 521456336 BACSDSZTVWBIAI-UHFFFAOYSA-N 477.898 6.311 30 20 JKED C=CCN(C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 521797948 VYFZJZKJMBTWRN-HTAPYJJXSA-N 472.515 5.337 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cc1 522327666 QCAWUBWKSGKUCG-UHFFFAOYSA-N 478.955 5.481 30 20 JKED COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N(C)CCC#N)cc(OC)c1OC 522780807 DNZMMACFQMMMQL-CYVLTUHYSA-N 471.557 5.123 30 20 JKED C=CCN(C(=O)C[C@@H](C)c1ccccc1F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 524272060 KRHDYNBHWQEXLX-MRXNPFEDSA-N 458.580 5.066 30 20 JKED N#C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 524337512 ODOVTABMAPOMIQ-MHZLTWQESA-N 497.576 5.061 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 524565329 PPBGDNSOQOVQFC-SFHVURJKSA-N 476.568 5.697 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2)c1 561408484 QEVNEMBUKBWGIZ-QFIPXVFZSA-N 468.538 5.262 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)c2C(F)(F)F)cc1 591780225 ARMBKUBMYMBTET-UHFFFAOYSA-N 463.328 6.106 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccco1 597564305 VWJGWUSPXPVHAK-IBGZPJMESA-N 487.585 5.022 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCN(c4nc5ccccc5s4)C3)c2)c1 603995429 CDGLSOJPPARMBF-FQEVSTJZSA-N 481.581 5.275 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)Nc3ncccc3OCCCC#N)cc12 608883421 WWINYCCFXRPFFE-UHFFFAOYSA-N 451.939 5.379 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4noc(C(F)(F)F)n4)cc3)o2)cc1 609061482 SOKYWJYKZFMPJV-UHFFFAOYSA-N 454.364 5.051 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1 609078508 VOOJKFUQCMOZRZ-AREMUKBSSA-N 471.557 5.650 30 20 JKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609079456 DNJMWRNRWSJUIS-UHFFFAOYSA-N 476.964 5.851 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)cc2F)c1 609104427 XJVZRGPOKPJDJS-UHFFFAOYSA-N 461.493 5.720 30 20 JKED C[C@H](NC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C#N)cc1 609356375 WWDVKJOQJZQWNF-INIZCTEOSA-N 466.463 5.390 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 609377421 FJUDDPYIZNFVCB-IFOZNXLVSA-N 483.584 5.629 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN(CCC#N)Cc2cccnc2)cs1 610666423 XICHPSRIEAHLJP-UHFFFAOYSA-N 459.497 5.157 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)n2)cc1 613314692 SPTHKRNCYMVRFZ-HXUWFJFHSA-N 485.540 5.765 30 20 JKED N#C[C@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc(-c2ccc(Cl)cc2)cs1 613320037 SKGZJSPBWOGWAX-GOSISDBHSA-N 455.930 5.663 30 20 JKED C=CCOc1ccccc1CN(C(=O)CSc1nnc(C(C)(C)C)o1)c1ccc2c(c1)OCCO2 614087127 QQZJJDAUSRCTTQ-UHFFFAOYSA-N 495.601 5.029 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C 614381853 AFYKUNOBBMYSNQ-HNNXBMFYSA-N 466.925 5.478 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 615844776 UPHQTILSAZAJLR-IBGZPJMESA-N 461.537 5.545 30 20 JKED C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618453921 VOTZRVWFLKMZHK-OASPWFOLSA-N 461.328 5.879 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2cc(O)ccc2C)C=C1 725764219 VPMYBLZUICPSMH-UHFFFAOYSA-O 496.612 5.749 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 726321967 QKMAIFZOFAQEAH-ZHRRBRCNSA-N 452.514 5.673 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@H](C)OC)cc1 726394110 SQULSZHPPRWRSO-BTYIYWSLSA-N 490.025 5.042 30 20 JKED COc1ccc(OC)c(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccccc2)c1 726568430 OLTIMWBAIWBGLP-UHFFFAOYSA-O 492.621 5.111 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(Cc3ccccc3)cc2)s1 726569579 FIVSCJMEOQOOSV-UHFFFAOYSA-O 486.642 5.441 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCCC3)c1 726570538 DSZMXDBFGQVFFJ-UHFFFAOYSA-O 461.010 6.010 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(OC)cc1 726571352 UUALMFAZQPOGGD-UHFFFAOYSA-O 450.971 5.393 30 20 JKED COc1ccccc1/C=C\C=C1\CN(c2cnccn2)C/C(=C/C=C/c2ccccc2OC)C1=O 726744245 YMQUTXMTYBJKJZ-HFSXEWNPSA-N 465.553 5.163 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 728148062 VEXPCULVYLWJBJ-DEOSSOPVSA-N 499.998 6.022 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)c1 728182054 SMXFQWLLHQHVGJ-UHFFFAOYSA-N 462.571 5.301 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(O)c(C)c3)cc2OC)cc1 728232511 VNAJUIGBNZUGIM-LFYBBSHMSA-N 461.514 5.022 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CC2)ccc1Cl 728533430 JRKOVVLDYQNRAB-OAQYLSRUSA-N 479.429 5.389 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1 728778083 OKLXUWNCXNGVOK-GHZZFFRASA-N 482.631 5.034 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1 728780754 YGUBXDFXIXENTI-OAQYLSRUSA-N 469.010 5.557 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3scnc3C)C2=O)cc1 729142822 MGMCRTKASNLUCC-NRFANRHFSA-N 478.643 5.537 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCc3ccccn3)C2=O)cc1 730533449 FVZOGJDUNBBJRP-HSZRJFAPSA-N 476.577 5.041 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730685105 BQTLAQUXMARFFM-XHSDSOJGSA-N 455.313 5.759 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cocn3)C2=O)cc1Cl 730717291 IYKDHCMTJSAFHD-LJQANCHMSA-N 489.384 5.450 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730943649 IKEFAXYVWGXOIS-AOMKIAJQSA-N 495.004 5.465 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 730993903 FPFUWEJQNYSENQ-MRXNPFEDSA-N 478.039 5.019 30 20 JKED CCn1ncc2c(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc(-c3ccccc3)nc21 731072100 WJEUCOLGIUQGHU-SFHVURJKSA-N 499.596 5.308 30 20 JKED COc1ccc2c(c1)CCC[C@H]2CC(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731075479 CAFVSTKJGQILCG-MJGOQNOKSA-N 452.576 5.081 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2cccs2)c1 731309264 VAIDYADUGARSBB-JTSKRJEESA-N 479.627 5.354 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H]2CCc3ccc(F)cc32)c1 731312974 UTVFZDFLFXRVQU-RPBOFIJWSA-N 499.567 5.160 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 743524125 HLKKRLUHWFURDE-SFHVURJKSA-N 465.472 5.276 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cccc(C)n3)C2=O)c1 743526453 SOPQLYQLIXZTSV-QHCPKHFHSA-N 492.576 5.007 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)n2)cc1 747114307 KTHMWFXSMXOJAL-SFHVURJKSA-N 495.416 6.531 30 20 JKED C=CCc1cc([C@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2)cc(OC)c1O 747140999 VBCRDKLBHATFBN-RUZDIDTESA-N 485.609 5.478 30 20 JKED Cc1sc2ncn(N=Cc3ccc(OCc4cccc(F)c4)cc3)c(=O)c2c1-c1ccccc1 767048229 XLFHHEQHYINZRU-UHFFFAOYSA-N 469.541 6.034 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)c1 837546347 MONJFHAATHUBGG-XXBNENTESA-N 458.587 5.420 30 20 JKED CCOc1cc([C@H]2NC(=O)N(Cc3cccs3)C(c3ccc(C)cc3)=C2C(C)=O)ccc1O 840198170 ABGUZEKJQSIECD-XMMPIXPASA-N 462.571 5.428 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2C2CCCCC2)nnc1-c1ccc(Cl)cc1Cl 863075758 XKQADDWWVNHQQO-UHFFFAOYSA-N 491.448 5.870 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1 904475393 IJTDCFXDUQVHPM-OAQYLSRUSA-N 472.549 5.394 30 20 JKED CSc1nc(C2CC2)cc(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)c1C#N 904478243 AJFSRNPBHPJYSW-UHFFFAOYSA-N 464.554 5.668 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915085138 HBBFJQMQYAXKLS-DEOSSOPVSA-N 454.555 5.267 30 20 JKED C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)C1 915763920 MJDOCOPGCTXESW-SGQNLQFHSA-N 494.639 5.075 30 20 JKED N#Cc1ccc(/C=C2/CN(C(=O)c3ccccc3Cl)C/C(=C/c3ccc(C#N)cc3)C2=O)cc1 915990415 PSSNMUYFOVEOSE-GACBQCINSA-N 463.924 5.275 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 916208826 WGYTXVBKJITLJK-QHCPKHFHSA-N 479.577 5.366 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC)cc1 916213932 IMLDHGUAHULYOQ-HXUWFJFHSA-N 475.998 5.118 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(SC(F)F)cc1 916215614 VQQYTWRCLXZIHD-GOSISDBHSA-N 497.564 5.137 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 916883793 OWYUMTQUOWRZLW-IBGZPJMESA-N 497.780 5.128 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1)c1ccccc1 916906372 QIICVISUJOILAX-HYBUGGRVSA-N 477.520 5.975 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)C(=O)Nc1ccccc1Cl 916913248 VTYMDULYMAXOFU-FQEVSTJZSA-N 459.908 5.908 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916927219 GECFFYGIENGVNE-MRXNPFEDSA-N 458.370 5.624 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1 916976922 WXRLQJNSYDCQLJ-OAQYLSRUSA-N 484.968 6.180 30 20 JKED C=CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 916977199 MQLDULVJXCDBKZ-KBMDHIKASA-N 450.947 5.927 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)C(=O)Nc1cccc2ccccc12 917427452 XKMSXBCNJJZECL-KRWDZBQOSA-N 496.411 5.677 30 20 JKED Cc1nc2sccc2c(=O)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 917580096 POFXKLJBCUHWKM-UHFFFAOYSA-N 457.342 5.208 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)ccc1OC(=O)c1ccc(F)cc1 917644763 KGDOXLWJSIKRFW-XKZIYDEJSA-N 490.537 5.331 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2[N+](=O)[O-])cc1 917682501 JOAYMMXZKXOWTD-QFIPXVFZSA-N 492.532 5.203 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCC1=CCCCC1 917702345 FJJSHFSEINGGDE-HSZRJFAPSA-N 476.577 5.548 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)c3ccccn3)C2=O)c1 917703008 KPSOLFLGZIPLBZ-CYFREDJKSA-N 483.597 5.292 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 918312620 RPIXGNFJMZDHRD-IZZNHLLZSA-N 453.542 5.043 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1 918566609 WFVKJFBBJGSGPN-MHZLTWQESA-N 479.605 6.617 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(C)nn(-c4ccc(F)cc4)c3C)n2)cc1 920139621 WAJFCSCOMSSHFZ-JOCHJYFZSA-N 460.534 5.179 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1C 920351904 FJAVDULERZOBLU-BBVWWWHTSA-N 491.657 5.072 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920804536 UJTHRARYPLPXOV-OAHLLOKOSA-N 455.486 5.925 30 20 JKED COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OC1CCCC1 920852966 CNOZMJZQSBZRHV-UHFFFAOYSA-N 458.562 5.663 30 20 JKED C=C(Br)CNC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 921112335 AMVQKNRYQZGDTC-UHFFFAOYSA-N 460.225 5.127 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(-n3ccnc3)cc2)nnc1-c1ccc(Cl)cc1Cl 921146496 CVEQYGRVGWQRBN-UHFFFAOYSA-N 499.427 5.032 30 20 JKED N#C[C@H](C(=O)CSc1nc(O)c2ccc(Cl)cc2n1)c1nc(-c2ccccc2)cs1 1613552077 IXRVVBVDQWSWQY-OAHLLOKOSA-N 452.948 5.081 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)cc1 1785797300 FOMAOKQDDGPYAT-UHFFFAOYSA-N 490.563 5.594 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc(I)c4)CCC3)cc2)C1 1785808024 GQKIFPBJMUHJBX-UHFFFAOYSA-N 486.353 5.005 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](S)C(C)C)CCC3)cc2)c(Cl)c1OC 1785955715 YLMOHQUOOBFZQD-NRFANRHFSA-N 477.026 5.059 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cn3ccc4c(F)cccc43)cc2)CCC1 1786107871 OVZXXEMWXCMMMB-UHFFFAOYSA-N 455.480 5.126 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(NC(C)=O)ccc3Cl)CCC2)cc1 1786368247 GUYYYSQCRRQEOJ-UHFFFAOYSA-N 483.996 5.029 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CCC1)C(F)(F)F 1788244258 KFIFFACGFVRITP-UHFFFAOYSA-N 455.480 5.353 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)cc2n1 1788322834 QFTSBHOKCXMSOX-UHFFFAOYSA-N 450.498 5.069 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCC1 1788507759 QQCFLQFLZQZMRA-UHFFFAOYSA-N 483.037 5.217 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCC1 1788687005 FYMKLHYQIVJVSW-SFHVURJKSA-N 476.960 5.386 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cscc4C)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1788746237 AONRQVKVJCJWCK-QFIPXVFZSA-N 495.645 5.370 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5ncccc5c4)cc3)CCC2)ccc1F 1788908352 SJXFGEYFUQIRHD-UHFFFAOYSA-N 478.527 5.236 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccn5nccc5c4)cc3)CCC2)c1 1789385055 ICHHECHDDKYORJ-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3=CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1789454840 GNFGPWBCNFZUPC-XMMPIXPASA-N 493.648 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(Br)c3)cc2)CCC1 1789697895 YDKOAGSEYFKZOI-HXUWFJFHSA-N 468.395 5.360 30 20 JKED CCOc1ncc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1789840407 NLDQZARAZLNVBC-UHFFFAOYSA-N 488.975 5.261 30 20 JKED CC(C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c[nH]1 1790703676 YYYRRNHHSGTKAV-UHFFFAOYSA-N 454.574 5.440 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5ccccc5Cl)CCC4)cc3)c2c1 1790836284 ZZJSGJSDWORELL-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nn(C)cc5c4)cc3)CCC2)c1 1790856789 NLDPBWNBLPUBMD-LJQANCHMSA-N 477.568 5.262 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cnc5cc(Br)ccc5c4)cc3)CCC2)CC1 1790910746 WNUPGEKTNIXQBT-UHFFFAOYSA-N 489.373 5.049 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cccc(O)c5cc4OC)cc3)CCC2)C1 1790927538 UQLJIWHZXDLJJR-UHFFFAOYSA-N 456.542 5.268 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@@H]3CCc4cccc(Cl)c43)cc2)CCC1 1791141618 TTXCOVQGBBNJGM-IIPRTONHSA-N 475.976 5.216 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(O)c4cc3OC)CCC2)cc1)C(F)(F)F 1791304541 FBLILYQCIIPPSY-UHFFFAOYSA-N 484.474 5.420 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)nc4ccc(O)cc34)CCC2)cc1 1791728939 HXKOXFGUQYYMEO-UHFFFAOYSA-N 455.558 5.190 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCS4)cc3)CCC2)cc(C(F)(F)F)c1 1792014030 LZDWJSFHCDJZIX-HXUWFJFHSA-N 473.520 5.220 30 20 JKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cn1 1792122468 ATKGVXKZJYBDTB-IBGZPJMESA-N 452.558 5.008 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)CC(F)(F)F)CCC3)cc2)cc1C#N 1792168340 OGRYMLDCBGUWFT-UHFFFAOYSA-N 459.468 5.046 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)Cc3c(F)cccc3Cl)CCC2)cc1 1792236799 YIZMFEWVLLGJJA-UHFFFAOYSA-N 491.950 5.106 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H](C)c4ccccc4)cc3)CCC2)c(C#N)c1 1792313527 ZUCXJHUSEXWHEN-HXUWFJFHSA-N 467.569 5.047 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1798334441 XZNZKELGYSVRGN-NDBXHCKUSA-N 467.613 5.627 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)c1 1800279896 JTGZROMWOFTRFK-HVWQDESWSA-N 485.534 5.322 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@@H]1c1cccnc1 1802502625 DIEITYNCOICKGV-MHECFPHRSA-N 480.559 5.153 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1802577931 MSUDVCNDQLSMMP-BBRLXUIWSA-N 494.639 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1802733267 CJHYESNIPSXMIN-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1803094032 ZOGKCHYNEXWBBL-FQLXRVMXSA-N 479.624 5.837 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)C1 1806063961 SBEWOEBUWCVRDK-SFHVURJKSA-N 494.982 5.297 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)CC2)C1 1806679054 ZMSNWCMOMXOQOB-UHFFFAOYSA-N 499.504 5.545 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1808597724 QGLOYPKOEKHFAW-INNMJMHTSA-N 480.612 5.232 30 20 JKED CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)s1 1808803842 ZUMNBQYNZULYLI-DHLKQENFSA-N 486.641 5.140 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC2CCCC2)[C@H]1c1cccnc1)c1ccccc1 1810447048 RMIHLDOZJCOLNO-XQFUHLNNSA-N 471.645 5.255 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)CC1 1811730365 TYCZKTCFWSKOMS-ATIYNZHBSA-N 476.596 5.018 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c(Cl)c1 1811745891 OTJIGMRIZRDYSB-CUNXSJBXSA-N 494.982 5.393 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)C(C)C)[C@H]2c2cccnc2)c1 1811924533 NZXGUQULQWRJHP-MYKRZTLLSA-N 480.612 5.021 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1812592357 UCYOLWFXQSREPX-NRYAXDJKSA-N 472.614 5.081 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H]1c1cccnc1 1813059452 MCKKFDNRNATLAK-MUAVYFROSA-N 476.580 5.193 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1813225589 UNPFYORPHQSDEN-YGPDHOBYSA-N 480.052 5.374 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 1814359939 CNOJNOXIWMFCOI-QFIPXVFZSA-N 459.550 5.139 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814380545 PLBRQJOOHBJLJN-AZBDZEDCSA-N 499.640 5.521 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)nc4ccccc34)[nH]n2)C1 1814395470 WEUKUJMAORYDND-HXUWFJFHSA-N 483.494 5.249 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1815245799 ULGDHEQDVWVXRO-RXVVDRJESA-N 481.647 5.137 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1815656497 UDXBWQNPKCRXFT-OAQYLSRUSA-N 489.601 5.376 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1815656898 MBSPVHPYMBIKCC-QGZVFWFLSA-N 486.947 5.307 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)sc2C1 1817396939 URCCBYKUQYYAFE-KRWDZBQOSA-N 494.617 5.025 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccn3c2)n[nH]1)c1ccccc1 1817820333 HZDKDNSJSSOGDS-JTHBVZDNSA-N 485.613 5.227 30 20 JKED CC1(C)CCc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)[nH]n3)c2O1 1817941180 NLZAYJIFQKKJEX-QHCPKHFHSA-N 483.572 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)CCCC3=O)n[nH]1 1818689332 CKGAUIQJVXQPBL-QHCPKHFHSA-N 460.578 5.003 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3[nH]2)n[nH]1 1818978996 JTFOFFNEZPQEFR-VBKZILBWSA-N 484.398 5.172 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1819302515 GSZIHPDPHWRMEO-NQIIRXRSSA-N 492.517 5.571 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1819303822 PQZBOEOIAJYBQC-RXVVDRJESA-N 452.599 5.683 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)[nH]n1 1819305658 MQDVVZOQCZWMQO-RDGATRHJSA-N 499.615 5.555 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)[nH]n1 1819309332 SCVQMBZLUZMMNF-ZCYQVOJMSA-N 469.589 5.546 30 20 JKED COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)ccc1C 1819386968 RRALZEZVALHCDZ-JOCHJYFZSA-N 480.685 5.084 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)[nH]n2)c1Cl 1820219803 YMDZHIWAXLVSBR-HXUWFJFHSA-N 482.371 5.137 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820316453 HFPMBMZWFXIGLE-FQEVSTJZSA-N 483.494 5.128 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1F 1820496973 MFJPSVZJNBJOCR-NRFANRHFSA-N 465.916 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3cccnc3)cc2)n[nH]1 1821004646 ZDBYOLPAXLUOJU-DEOSSOPVSA-N 471.605 5.770 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821070550 KDRUEEKYIRJEED-FZKQIMNGSA-N 479.806 5.344 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc3ccc(Br)cc23)n[nH]1 1821382636 TUJBLMAHKNKONZ-VFNWGFHPSA-N 496.409 5.239 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)n[nH]2)CCC1 1821524532 HDMOZTFTTDMOEI-OAQYLSRUSA-N 482.544 5.151 30 20 JKED Cc1ccc([C@@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1822060481 UEFXFEMYWWVUOP-NLFFAJNJSA-N 469.589 5.018 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)Cc3ccccc3)n[nH]2)c1 1822592069 SKQIUCBWCHARKL-UMEGOILYSA-N 469.589 5.221 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1F 1823218742 VXYHVMMBCHSJGX-SBUREZEXSA-N 459.525 5.104 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823971814 JWYBHKHTRLTIHM-HSQYWUDLSA-N 451.076 5.018 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)CC2)c(Cl)c1 1824650050 REKXQUQELNSSLX-IFMALSPDSA-N 477.983 5.270 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1826383504 YDEKHLGFNZHXHY-IZZNHLLZSA-N 480.649 5.046 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)c1 1826400401 GQPCNYICRFSYIY-MUUNZHRXSA-N 465.597 5.187 30 20 JKED CO[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1)c1ccccc1 1826646380 PKIQMKJXOURZMV-VPUSJEBWSA-N 482.741 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1829067247 GLTDXQCVILEWBO-WOHWVRMTSA-N 491.720 5.977 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1829068796 QYVSYZJMPAGWAC-HSZRJFAPSA-N 483.603 5.739 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(OC)c2)CC1 1829070324 HPVMIBNSMUNYAJ-SDQWYYNMSA-N 452.639 5.321 30 20 JKED COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)ccc1C 1829689844 SZUZCTNLNKDZEX-HSZRJFAPSA-N 480.008 5.076 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1830109648 QOJMTYXKGSNVNA-VWLOTQADSA-N 494.035 5.086 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830627088 LOIFYPWWXVDOFC-HFZDXXHNSA-N 475.658 5.167 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830826824 RQPCNGNJIJSKID-GOTSBHOMSA-N 474.070 5.076 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccccc4c3Br)CC2)C1 1830986935 ALPBNDQOUJYJHT-XMMPIXPASA-N 495.461 5.802 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831306410 CPAJVISTIHQKHM-AOYPEHQESA-N 457.058 5.503 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)CC1 1831590444 SRKNUUCLWQIIHF-ZOGNMOHXSA-N 452.639 5.321 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccncc3C(F)(F)F)CC2)c1 1832630778 MOBGXYFVUGEPAW-UUOWRZLLSA-N 498.549 5.275 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)c1 1832632993 AXUUUASGUCQCKX-BZDILZQOSA-N 461.650 5.683 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3F)CC2)c1 1832633340 GSUPVSYYTGFYGU-KOSHJBKYSA-N 465.544 5.139 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1C#N 1832703974 ZOGOYSXTCOPZHZ-RUZDIDTESA-N 494.035 5.546 30 20 JKED C=CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(-c2ccccc2)cs1 11249916 FZETYCQDFVRRND-UHFFFAOYSA-N 451.551 5.497 30 20 JKED CC1CCN(c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2C2CC2)CC1 11424582 WBGOAZDKTYNQLG-MRXNPFEDSA-N 484.695 5.171 30 20 JKED COc1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2cccc(C(F)(F)F)c2)cc1 15236886 IZADSWURQWGXAJ-HNNXBMFYSA-N 457.481 5.497 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cccc(Br)c2)cc1 15247665 NCJYKIJAFJXRRD-UHFFFAOYSA-O 454.413 5.740 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccccc1 16812043 MIICTRRBBJWWCK-HSZRJFAPSA-N 456.571 5.612 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(Nc3cccc(F)c3)s2)n(Cc2ccco2)c1C 17153336 VJRRSHGWXOQLCQ-UHFFFAOYSA-N 482.566 5.083 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1ccc(CC#N)cc1 20027032 QMUJCEJVEGSVIC-UHFFFAOYSA-N 479.536 5.493 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1ncc(-c2ccccc2F)o1 21400105 WGUFTLPMLNEIJA-UHFFFAOYSA-N 459.271 5.052 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1ccc(Br)cc1 21742159 DMTRZUAMZOINEZ-AWEZNQCLSA-N 476.371 5.308 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)cc1 22731211 OOIYIMLRJNUKER-UHFFFAOYSA-O 453.534 5.191 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(CC)cc2)cc1 22800173 QCKFEEAMSQBJMM-UHFFFAOYSA-O 457.978 5.779 30 20 JKED C=CCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc2scc(-c3ccccc3)c2c1=O 23559060 LHSIFEYPURPRKX-UHFFFAOYSA-N 492.651 5.518 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(N/N=C3\C(O)=Nc4c3ccc(C)c4C)c([N+](=O)[O-])c2)c(C)c1 24035724 BKBKZCCSEZODAS-UHFFFAOYSA-N 493.545 5.047 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nc2sccc2c1=O 36800015 MLXIFUFIGRIWDG-OAQYLSRUSA-N 461.612 5.733 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 72025288 KXJJHIWKCKOHDP-UHFFFAOYSA-N 451.530 6.114 30 20 JKED CCN(C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)[C@@H](C)c1ccc(C#N)cc1 108879934 MFKBPIZBGWXEOZ-KRWDZBQOSA-N 498.004 5.244 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccc(Br)cc2)o1)c1cccc(Cl)c1 410227491 OHIQXLWUPVGQKR-UHFFFAOYSA-N 477.771 5.191 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)cc1 486046332 PNAKOYLLZYXVOA-HSZRJFAPSA-N 468.557 5.214 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 487914260 OQANGRFXZAFPGC-SFHVURJKSA-N 498.332 5.308 30 20 JKED Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccccc1Sc1ccccc1C#N 490112435 JZTAUZGBEINVGN-UHFFFAOYSA-N 459.640 5.819 30 20 JKED O=C(C[S@](=O)Cc1coc(-c2cccc(F)c2)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 495726299 SANQMUAIODOSSD-MGBGTMOVSA-N 494.388 5.406 30 20 JKED COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OCC(F)(F)F 497410633 HPGGLYLLULVZKL-UHFFFAOYSA-N 458.461 5.911 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1 498319429 MIVMKPFQMUYFGN-VWLOTQADSA-N 478.639 5.224 30 20 JKED C=CCN(C(=O)c1ccc(N(CC)C(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 499285574 FQBWMPAYFXBEIK-UHFFFAOYSA-N 483.659 5.281 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)[C@@H](C#N)c4ccccn4)sc3[nH]2)c1 503560567 AVONUORTIKPOBH-INIZCTEOSA-N 460.584 5.087 30 20 JKED Cc1nc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)sc1SCC#N 504685077 PICFNKQMCBLGOI-UHFFFAOYSA-N 460.924 5.673 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cc1Cl 508355157 ADJHDUIMODGXHR-DEOSSOPVSA-N 479.024 5.642 30 20 JKED CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 509617460 AFTZOXNSNFJRIO-IBGZPJMESA-N 458.425 6.341 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(CSc3ccccn3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 509858872 XNTSJGXGDAOEGJ-UHFFFAOYSA-N 484.541 5.312 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccco3)Cc3cccs3)s2)cc1 510232362 SWXIZABTBIPQHH-UHFFFAOYSA-N 467.601 5.591 30 20 JKED N#Cc1cccc(CNC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 510752921 OJYMOKAJCZSKLD-UHFFFAOYSA-N 453.424 5.543 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(=Cc4cccc(F)c4)CC3)c2)c1 511437424 GFFNPEYNOBMJEB-UHFFFAOYSA-N 454.505 5.661 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N2CCCCC2)cc1 511443293 ZVTNDYWMMDMHKK-LJAQVGFWSA-N 498.627 5.689 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c([N+](=O)[O-])cc1OCc1cscn1 512813093 CERJPBPWVRCEMD-UHFFFAOYSA-N 498.586 5.483 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2ccc(OC)c(OC(F)F)c2)cc1 513865053 BAKBMFUVSWGQDR-UHFFFAOYSA-N 483.471 5.333 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccco1 514590550 BIIVZGNAUKBJAF-JKBKZWBZSA-N 461.591 5.184 30 20 JKED Cc1cc(NC(=O)c2ccccc2I)sc1C(=O)Nc1cccc(C#N)c1 515434632 SNDWXKKIKMTTAT-UHFFFAOYSA-N 487.322 5.037 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 516133869 SDWLMVFEQKHXTA-UHFFFAOYSA-N 470.017 5.043 30 20 JKED C[C@@H]1CN(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)C[C@@H](C)O1 518148019 MSKCQQBQYFYJTB-IAGOWNOFSA-N 477.552 5.573 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 518168503 JILAVCFAXLRFHY-SJORKVTESA-N 473.440 5.349 30 20 JKED COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 518738852 BNPOVNRJHISJSX-SFHVURJKSA-N 495.626 5.167 30 20 JKED CN(C(=O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)N(C)c1cccc(C#N)c1)(C3)C2)c1cccc(C#N)c1 518816331 JWEGCXXNSYWVRF-RJAVSUSUSA-N 466.585 5.032 30 20 JKED Cc1ccc(OCCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(Br)c1 519099067 SXRRENRWBDGLPG-UHFFFAOYSA-N 466.335 5.533 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)c1 522485335 CZPJPBVOBBWDOX-UHFFFAOYSA-N 487.947 5.621 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc(Br)cs2)cc1 523150418 JAMNVYPRWBQRHX-UHFFFAOYSA-N 458.356 5.433 30 20 JKED COc1ccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CCOCC2)cc1 545995052 DRRHXUIZTRTSES-UHFFFAOYSA-N 462.933 5.699 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 561408161 NHWYWLTZUVICIA-INIZCTEOSA-N 477.461 6.174 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 578089275 HLRJJQLSZHKRDK-UHFFFAOYSA-N 476.001 5.102 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCC4)n2CC)cc1 589943146 WXYHNBFMMJKCOG-UHFFFAOYSA-N 494.690 5.354 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c12 597993497 FYOFSTSSSMXHGQ-INIZCTEOSA-N 492.601 5.933 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN(C(=O)c4cccc5ccccc45)C3)s2)cc1 602228905 JFZWRLKBOWUGDZ-JOCHJYFZSA-N 480.593 5.250 30 20 JKED Cc1ccc(C[C@H](C#N)Sc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)cc1 603725871 HIYFFCSKUONGRJ-HSZRJFAPSA-N 458.612 5.399 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603764250 JTGIKIRDPCJDNY-UHFFFAOYSA-N 498.564 5.213 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2C(F)(F)F)c1 603765789 ZCBAGEHZXJWLBC-UHFFFAOYSA-N 463.419 5.511 30 20 JKED Cc1sc(NC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)c(C#N)c1C 603806841 PZBASOUBTGCDQB-UHFFFAOYSA-N 479.627 5.609 30 20 JKED Cc1cc(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)s1 608928234 IKNGOVROJIGYGY-UHFFFAOYSA-N 457.524 5.104 30 20 JKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 609060115 SSJHQESWAKSJAT-UHFFFAOYSA-N 451.910 5.116 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609073721 UUCNYDYPRYTROY-DCFHFQCYSA-N 467.569 5.075 30 20 JKED COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)c1 609079990 PIWGBSVLQYFLLP-NRFANRHFSA-N 490.991 5.447 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 609083810 JPTCZRDMXBAFQD-QHCPKHFHSA-N 461.949 5.387 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2Cl)c1 609087132 VUWWWSXSYUGNOP-UHFFFAOYSA-N 477.923 5.059 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1C 609112015 XSNVMLRGRRFASB-UHFFFAOYSA-N 495.033 5.989 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)cc1 609153439 JEVDZDZXMBVNLZ-UHFFFAOYSA-N 467.573 5.947 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)ccn2)cc1 609437212 WEWIKDAKFVLDGR-GOSISDBHSA-N 462.575 5.989 30 20 JKED C=CCn1c(SCc2csc(-c3cccs3)n2)nnc1[C@H]1COc2ccccc2O1 612653220 WWOVWVMUJBWCTG-QGZVFWFLSA-N 454.602 5.454 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320344 WQURECGCXFLUBK-SFHVURJKSA-N 470.019 5.570 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(C3CC3)no2)nc2sc(-c3ccccc3)c(C)c2c1=O 613979388 KGIQDUWOYDLICE-AWEZNQCLSA-N 450.589 5.733 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)cc1 615001894 QGCGDCGTTIZMEI-QFIPXVFZSA-N 465.347 5.124 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 619342955 NHGAANPLZXGBJF-IYBDPMFKSA-N 463.422 5.095 30 20 JKED O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 622545221 GOYGCSSYURDPMV-UHFFFAOYSA-N 489.366 5.650 30 20 JKED Cc1ccc(-n2ncc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2C(F)(F)F)cc1 642156949 CXRGQYHRGSNDFB-RYUDHWBXSA-N 487.366 5.839 30 20 JKED O=C(Nc1ccccc1SCC(F)(F)F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643049541 KTRBQXIYWVUFOX-URLYPYJESA-N 496.395 5.305 30 20 JKED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CCCC2)C1=O)Nc1ccc2ccccc2c1 726115573 QYECCJNYJIVDOT-ROBQPBDMSA-N 472.614 5.049 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1F 726413177 WHDZXHGDBMKWCB-OYHNWAKOSA-N 496.539 5.090 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@H](C)c2cccs2)c1 726420619 IYSNARLBWVRHAL-PKWGXKOHSA-N 479.627 5.347 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N([C@@H](C)c2cccnc2)C1=O 726421439 NAEDDTXJKYHMCK-SUNUFWRDSA-N 494.642 5.303 30 20 JKED C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 728390954 PHZPKTGOCCEFFN-LXFBAYGMSA-N 468.601 5.097 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1c(Cl)ccc(C)c1Cl 728429419 HKZZVPWMBJLOGP-QGZVFWFLSA-N 496.416 5.299 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1C#N 728779774 KYUMHBRKVSHCEV-FQEVSTJZSA-N 499.518 5.231 30 20 JKED C[C@@H](CC#N)N(C)Cn1nc(-c2ccc(Br)cc2)n(CCc2ccccc2)c1=S 728902227 LMTSENDXCHNJFR-KRWDZBQOSA-N 470.440 5.278 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3scnc3C)C2=O)c1 729144079 AVIOHKRDJKPXEC-FQEVSTJZSA-N 499.061 5.882 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729144181 CFOFIINAINQNGN-CTNGQTDRSA-N 459.974 5.088 30 20 JKED CCc1c(C)sc(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2F)c1C#N 729182570 UFGBNIAFJXOCHC-AWEZNQCLSA-N 483.590 5.022 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1 729553716 RNQCTWBYHUOATN-JTHBVZDNSA-N 473.882 5.567 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 729896217 UVQCTESBXOWQKC-FQEVSTJZSA-N 490.972 5.245 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2cc(Cl)ccc2s1 730689627 HZXHLKKJBTZBKJ-LBPRGKRZSA-N 465.909 6.387 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(Cc3cocn3)C2=O)cc1 730720867 OFAVMYJVTNSZTH-LJQANCHMSA-N 489.384 5.450 30 20 JKED COc1cc(C)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1OC 731317604 BDBFCMZFERJMSY-YFHOEESVSA-N 456.951 5.703 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1F 743525399 QBQASUREOAVNEC-LJQANCHMSA-N 497.514 5.150 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1F 743525701 SAUIJZSXANBWQG-SFHVURJKSA-N 498.407 5.438 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cscn3)C2=O)cc1 747602713 MGKWSTSEGWYIKE-FQEVSTJZSA-N 468.579 5.060 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1 904420045 ZBULJIAIOHAVPU-AWEZNQCLSA-N 456.971 5.072 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nnc1-c1ccc(Cl)cc1 914483948 HVGGJEHVDURBAE-UHFFFAOYSA-N 482.053 5.134 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3OC)N(Cc3cccc(F)c3)C2=O)c1 914772587 FUSVYHXRKNJBTO-HSZRJFAPSA-N 493.560 5.003 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 915087937 YLROKQPJJYOQDX-SVEHJYQDSA-N 473.576 5.986 30 20 JKED C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12)c1ccc(C#N)cc1 915678413 LWTGMFGTCMOCBG-CLOONOSVSA-N 451.574 5.298 30 20 JKED Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc12 916057756 WJXWBOVZPMNQNO-QFIPXVFZSA-N 458.901 5.428 30 20 JKED O=C(O)C(=O)/C(=C\c1csc(-c2cccc(Br)c2)n1)c1ccc2ccccc2n1 916138186 WDJAFHXWVRLGAT-BOPFTXTBSA-N 465.328 5.315 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cccc(OC)c1 916207177 WHDOHQSQTSNRMZ-LJQANCHMSA-N 490.969 5.017 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)cc1OC 916213167 ASUPXJVNYIFAHS-NRFANRHFSA-N 499.976 5.111 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 916884788 GJWQNCLSYKMYTH-MRXNPFEDSA-N 462.720 5.582 30 20 JKED N#C[C@H](C(=O)CCCc1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1Oc1ccccc1 916905600 MJARDVOSPJEZCG-OAQYLSRUSA-N 466.497 5.199 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 916914696 RHBFEIDJHCVLTC-DEOSSOPVSA-N 467.573 5.122 30 20 JKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916976403 NPZMRUFCCWXRIX-JOCHJYFZSA-N 458.970 6.446 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976856 HAUJLYBFYVOEJO-GOSISDBHSA-N 458.370 5.503 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1SCc1cccs1 917505081 JNOHWXCAGMRSRT-GOSISDBHSA-N 466.584 5.367 30 20 JKED COc1ccc(/C=C2\CC3(C/C(=C\c4ccc(OC)c(F)c4)C2=O)C(=O)Nc2ccccc23)cc1F 917517567 IQKQDHIKLMIKFO-AYKLPDECSA-N 487.502 5.702 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c1 917668443 YTQRQILQXOEXNY-YTFSRNRJSA-N 497.064 5.236 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 917669617 UAXKXXOEQKFNQN-LJQANCHMSA-N 479.524 5.011 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccco2)C1=O 917700662 NGRRBTFDAHDJKH-XMMPIXPASA-N 485.565 5.602 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 918033599 DMKASZSEZJSKJO-CLOONOSVSA-N 489.417 5.753 30 20 JKED COc1ccc(Cc2nnc(S)n2N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 918711098 DXAARHAYSVOIFG-UHFFFAOYSA-N 475.521 5.191 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2[N+](=O)[O-])n1 920105814 FOPZOYYFNZZFAF-INIZCTEOSA-N 476.539 5.506 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2cccc(Cl)c2)c1 920109270 NMKTXPLRCSENIT-XMMPIXPASA-N 460.961 6.005 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2cccc(Cl)c2)c1 920109554 QXLUGBKUQABLEC-HXUWFJFHSA-N 483.351 5.851 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 920109583 SFRLENZIKRGLGE-HXUWFJFHSA-N 490.441 5.645 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCc1ccccc1 920143511 XAYDFJAMCDLHCM-QFIPXVFZSA-N 465.534 5.759 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2c(C)noc2C)cc1 920354227 AVQLVIMDSVZEOP-QFIPXVFZSA-N 462.575 5.069 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2c(F)cccc2F)cs1 920806855 ROQMMRWVQSOFQD-CABCVRRESA-N 484.503 5.348 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C(=O)Nc2ccccc2Cl)C(C)C)cc1C 920892036 HZJGWKOWHIRCBZ-DEOSSOPVSA-N 478.980 5.554 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1C 920892243 KCFFLEXXDWDQBG-KRWDZBQOSA-N 484.478 5.283 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785792590 IPZZYXKFTRHXCC-INIZCTEOSA-N 466.969 5.370 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC[C@@H](NC(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785810177 GGRMBHCOBJWIBZ-WMZHIEFXSA-N 481.637 5.170 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(Br)cc4OC)CCC3)cc2)C1 1785810643 YXKSWXUYCWRTCK-UHFFFAOYSA-N 483.406 5.101 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)CCC2)cc1 1786372049 WKONUKIQOGSCIU-IBGZPJMESA-N 473.573 5.029 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)cc2)CCC1 1788986325 WFEWUCCVXLPHMF-NRFANRHFSA-N 457.546 5.148 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(-c5nccs5)noc4c3)cc2)CCC1 1789225361 OPQLMFYINPODEX-UHFFFAOYSA-N 485.569 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4nc3C)CCC2)cc1 1789454050 NHAHLLRQRVMPDP-HSZRJFAPSA-N 454.574 5.454 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3Oc3ccccc3)[C@H]2C1 1789461181 KLQOMVJPOMQNRQ-CVJWPJSTSA-N 476.617 5.065 30 20 JKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)o1 1789508873 APTNCKKLMWCSOW-UHFFFAOYSA-N 450.655 5.316 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3SCc3ccccc3)cc2)CCC1 1789932212 CQPLCZCOAXHPIL-UHFFFAOYSA-N 470.598 5.425 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)c1Cl 1790081584 BTWXQSDOLACSIV-UHFFFAOYSA-N 474.973 5.587 30 20 JKED COc1ccc(C(=O)CCC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1 1790706190 LMBDYAKLTJNBJT-UHFFFAOYSA-N 495.579 5.172 30 20 JKED CC1CCN(CC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)CC1 1790785604 VZMXLDMZODPXOV-UHFFFAOYSA-N 498.549 5.057 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791589656 NNZQXIYXFPDCKY-WXVAWEFUSA-N 481.637 5.124 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cncc5cnccc45)CCC3)cc2)c1 1792124751 GOXHOOLVMITXHA-LJQANCHMSA-N 475.552 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CS[C@@H]4CCCCO4)CCC3)cc2)c1 1792124902 OPYAWMUWTNIFIM-KBMIEXCESA-N 477.630 5.321 30 20 JKED CC(=O)Nc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c1 1792137447 MDTNJQVKZNXXDS-UHFFFAOYSA-N 489.692 5.444 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)cc4C(F)(F)F)cc3)CCC2)CCC1 1792171048 HWVIDZVAKVEUBF-UHFFFAOYSA-N 459.443 5.286 30 20 JKED Cn1nccc1-c1cc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)sc1Cl 1792230143 UTVGMMCASYOUHO-UHFFFAOYSA-N 494.020 5.244 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CCC2)cc1 1792265367 QSEMLWLDVPPVLT-UHFFFAOYSA-N 462.553 5.391 30 20 JKED N#Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)cc1 1792638921 ORDWPFPVAIUWHU-NUNAXRQHSA-N 494.620 5.263 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1793574939 MWJCXLKUOWYZNO-BKFWDETESA-N 483.612 5.136 30 20 JKED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCCCCCCCCCc1ccccc1)C2 1795423978 TZLYEVZLAOWXAM-JYLDTYKTSA-N 481.681 5.023 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)C2)c1ccccc1 1798555110 OZTGXTKRYIGPES-SPQIMKEMSA-N 495.667 5.200 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1 1800279286 ISEOLBRKUAMCJD-SFOUDVDZSA-N 452.545 5.349 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)CC1 1802963964 PADWNCJFQIZUEB-YWEHKCAJSA-N 492.063 5.399 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(O)c3cc2OC)[C@H]1c1cccnc1 1803089651 CKMWADFGPLMEOG-LXFBAYGMSA-N 499.611 5.037 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803224006 YZZIDQRKCBRVDU-VCCQQEBNSA-N 492.063 5.518 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ncc(Cl)cc4Cl)C3)CC2)c(Cl)c1 1804742486 KDOBDUVZZNRWGL-UHFFFAOYSA-N 491.806 5.072 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccccc3OC(F)(F)F)C2)CC1 1805089052 GVPZYLQKZDAYPH-LJQANCHMSA-N 464.528 5.198 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(-c5ccccc5)nc4)CC3)C2)c1 1805329165 NQMSCNXGGAONLP-UHFFFAOYSA-N 492.623 5.098 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)[C@@H](F)c4ccccc4)C3)CC2)cc(C(F)(F)F)c1 1806525559 STJDCCJGVMYPTF-QFIPXVFZSA-N 487.497 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1808597726 QGLOYPKOEKHFAW-OARDWFSCSA-N 480.612 5.232 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)CC1 1808875375 COTHWMQZHUFWIE-UFHPHHKVSA-N 492.063 5.399 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)C1)c1ccccc1 1809162227 LYMFWALKLLORDN-WXVAWEFUSA-N 487.644 5.242 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1810169213 WHSWUGCWPSJVTR-RWUBSVTLSA-N 486.591 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1810493085 VLVOLAFPKFTPIE-SFLYRZDNSA-N 465.663 5.261 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811530758 IPYAAIXVTPFHQN-PDDLMNHVSA-N 497.639 5.359 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1811615998 BGUHNUMBUKYKEZ-MFMCTBQISA-N 494.639 5.104 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811719224 VKTWQAKZWLYKKB-PWUYWRBVSA-N 499.611 5.176 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@H](CNC(=O)c4cc(C#N)ccc4F)[C@@H]3c3cccnc3)sc2c1 1811730750 XJUXJXQXFSMUGQ-RLWLMLJZSA-N 498.583 5.249 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1811749250 PSNLSMPAWMFQFE-CZZAQMAHSA-N 487.003 5.038 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1812071480 DFQIIMCUMGVGBZ-ATIYNZHBSA-N 489.019 5.371 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1814824121 LHIKOHUWXZCHPQ-AZGAKELHSA-N 489.664 5.082 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CC(C(F)(F)F)(C3)C4)n[nH]2)c1 1815346085 LVRWDIKGTVBNLJ-VKCNZIPGSA-N 485.510 5.075 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](F)c3ccccc3)n[nH]2)cc(C(F)(F)F)c1 1815556525 FJZAZCAUCNTRCF-RBBKRZOGSA-N 499.468 5.317 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2cccc3ccccc23)n[nH]1 1815649055 KPCWGHSNFJEMAZ-DEOSSOPVSA-N 472.589 5.402 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)[nH]n1 1819385251 NUTXXBUUVAHKHP-SFHVURJKSA-N 493.606 5.114 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2)n[nH]1 1821131008 MVTBJYMEONZESG-UYAOXDASSA-N 458.509 5.085 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821428970 NBZBMDICZQPZIU-IBGZPJMESA-N 473.911 5.129 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sc(C)cc4[nH]3)n[nH]2)c1 1821441551 NBDZGYFGLSHCQP-NRFANRHFSA-N 472.574 5.061 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)n[nH]1 1821756295 JPAXLEWHCNDVSU-LSYYVWMOSA-N 491.680 5.171 30 20 JKED CC(C)c1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)[nH]n2)cc1 1822138995 PKXHLWXJMIMQAS-RUZDIDTESA-N 487.579 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)[nH]n2)c1 1823212923 ZLNFETLGQVIBLX-WAIKUNEKSA-N 493.970 5.378 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823681851 BFGPMSLFUMMHCK-SANMLTNESA-N 489.660 5.623 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cnc4ccccc4c3)CC2)cc1 1824046696 OLDJNWYHVNGGEO-GDLZYMKVSA-N 494.639 5.167 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)oc3C)CC2)c1 1825951710 XSWWZWXGTBDQQG-RUZDIDTESA-N 475.633 5.613 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC[C@@H]3CNc4ccccc4C3)CC2)c1 1826952990 ZMRFVSMOHCZAEW-MUAVYFROSA-N 498.671 5.165 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828510894 YVVMSHINECNSJU-DEOSSOPVSA-N 487.566 5.614 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1)c1ccccc1 1828653361 WSXCEMHVBJDEIA-MFMCTBQISA-N 493.651 5.665 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1828825113 RDAFMBBVHJACAQ-UPVQGACJSA-N 497.083 5.552 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)CC1 1828826339 BSSORKWXNQXLJN-UDEWMYPQSA-N 464.675 5.262 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3cccc(OC)c3C2)CC1 1828829524 DDWVFEAUGJENBN-ZWEKWIFMSA-N 478.677 5.188 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)cn2)CC1)c1ccccc1 1829030483 OXAQFQHUJCRFNG-VMPREFPWSA-N 485.672 5.140 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829595731 HDEYFTSBTXDVPR-JOCHJYFZSA-N 460.603 5.043 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829673903 YRRMEXDCXRAXMJ-DEOSSOPVSA-N 453.602 5.533 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)cc(C(F)(F)F)c1 1829863693 HSZSFRXHFFRESD-HXUWFJFHSA-N 493.913 5.371 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830061981 KQZQIAZQSDNHEC-DEOSSOPVSA-N 483.534 5.433 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1830397127 HAFPHWYSBYGHCN-WXFUMESZSA-N 489.701 5.068 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830446095 DPIKUPKSNHWBRV-LJAQVGFWSA-N 477.608 5.034 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)ccc2n1 1830629387 XVXIECWPSOOQCY-NDEPHWFRSA-N 480.612 5.156 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c(C(F)(F)F)o1 1830630015 DQDGADSXXNWGEF-QFIPXVFZSA-N 487.522 5.220 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830633331 KGLNANTXGGUFIB-ZBLYBZFDSA-N 475.608 5.004 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CC(C)(C)C3)CC2)cc1C#N 1831932918 FODYHZSYCIMKDW-XMMPIXPASA-N 465.638 5.015 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1832030029 APLGZFPABKOQFZ-QFIPXVFZSA-N 454.611 5.467 30 20 JKED COc1cccc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634995 YYTXKPIFYDVHPB-RLGOFNAISA-N 485.628 5.269 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1832669830 AXEYNAYSIKAYCY-AREMUKBSSA-N 494.035 5.086 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1832830046 XAGAXXGYJQCJIB-SANMLTNESA-N 460.618 5.030 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)CC1 1833079801 FSCCGYQGLIXKIT-UHFFFAOYSA-N 497.577 5.022 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CC2(CCCN2C(=O)c2cccc(C(F)(F)F)c2F)C1 1845347788 ZGWSWCOUSXZDTN-UHFFFAOYSA-N 492.366 5.133 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10172385 CLRHNXNQXWFVLP-UHFFFAOYSA-O 498.672 6.725 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2cccc(C)c2)c1C 10172703 VQQQRVGHLCNPKK-UHFFFAOYSA-O 464.611 5.072 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2cccc(OC)c2)cc1 11259272 YZOMHVIZWKHRTM-UHFFFAOYSA-O 470.412 5.359 30 20 JKED COc1ccc(NC(=O)C2=C(C)N(c3ccc(C)c(F)c3)C(=S)N[C@@H]2c2cccc(C#N)c2)cc1 11559716 QDQXQEZPPOFECQ-RUZDIDTESA-N 486.572 5.363 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 16821674 SJTOZQKMTDPWNM-JTQLQIEISA-N 463.744 5.143 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 20076101 VBVSFPDUDCGAAC-UHFFFAOYSA-N 463.584 5.047 30 20 JKED CCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(Cl)cc1 21669967 MNVKKLDFFSQDIH-ZDUSSCGKSA-N 472.039 5.550 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 21729955 PWEOSMWLBMABHN-VWLOTQADSA-N 465.623 5.030 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3csc(-c4ccc(Cl)cc4)n3)n2)n[nH]c1=S 23041903 BOPJMLAVEKMSSU-UHFFFAOYSA-N 475.024 5.203 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 23326896 YPGVMRARAZFCFJ-UHFFFAOYSA-N 473.627 5.397 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccc(OC)cc1 24047544 GFJHDTAYUDOTRY-UHFFFAOYSA-N 499.568 5.272 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OCC)cc2)c1 27501538 PWVNZGMBWSZCSI-UHFFFAOYSA-N 499.032 5.392 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccn2)ccc1Cl 28781819 WZQBYVZYCUGPPA-INIZCTEOSA-N 490.412 5.261 30 20 JKED Cc1ccc(-c2csc3ncn(CC(=O)N(CCC#N)c4cccc(Cl)c4)c(=O)c23)cc1 31626697 PVDWIBSFNUOJCC-UHFFFAOYSA-N 462.962 5.034 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 32039592 ACBYDEMRBOLFFG-RYUDHWBXSA-N 484.437 5.809 30 20 JKED N#CCCCCSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 195565241 BVMAQFROVCTVRZ-UHFFFAOYSA-N 451.646 6.014 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(Nc2cccc(F)c2)s1)c1nc(-c2ccccc2)cs1 247706533 FKJGWDZQQZKBPT-INIZCTEOSA-N 467.576 5.513 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C#N)cc2)n1-c1ccc(Cl)cc1 255933519 MJMDAASSQPVLMK-UHFFFAOYSA-N 475.961 5.199 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H](C)c2ccco2)c1 302977081 SHKGZHZALFKSSN-QGZVFWFLSA-N 488.993 5.156 30 20 JKED COC1CCN(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2C(F)(F)F)CC1 303166789 INHOVKBTOXHRAQ-UHFFFAOYSA-N 464.381 5.731 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1Cl 409562920 UDLZRINHJXUXBJ-UHFFFAOYSA-N 457.886 5.079 30 20 JKED Cc1c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cccc1-c1nnc2n1CCCCC2 482760272 KJHDTZYFGPPLRN-UHFFFAOYSA-N 463.541 5.896 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 483434810 DRWXBJRWZJRXOA-UHFFFAOYSA-N 466.541 5.558 30 20 JKED C=CCN(C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1 484216917 FNANTSQVTYUMHQ-QGZVFWFLSA-N 461.612 5.905 30 20 JKED C=CCc1cc(CNC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc(OC)c1OC 498916551 DUZVMRFHKPENON-UHFFFAOYSA-N 459.546 5.315 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 499889110 SWEMANLPODBYTN-QFIPXVFZSA-N 453.311 5.239 30 20 JKED CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)ccc21 500107133 BINVLDWQONTBOP-UHFFFAOYSA-N 496.615 5.156 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccs3)c2)cc1 501434364 ISWOKFMHBOVMLF-HSZRJFAPSA-N 459.571 5.027 30 20 JKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 502081849 XMTXWLNXXSLFBK-FQEVSTJZSA-N 470.573 5.182 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503184948 ZYXCEKBLXQYYJN-UHFFFAOYSA-N 487.791 5.102 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 503822506 IIVMXSMIGSAFFY-MHZLTWQESA-N 457.574 5.481 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCCOc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 504725660 ZVJJGNNIKMZINQ-LJQANCHMSA-N 489.428 5.560 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c3cnn(C(C)C)c3n2)cc1 504726459 REKZMWZNJZUBQK-UHFFFAOYSA-N 462.604 5.621 30 20 JKED O=C(NCc1ccc(F)c(Cl)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 507119777 QTRZGXTUAZAHFX-UHFFFAOYSA-N 465.756 5.632 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1 508455218 YFJLZRVNOBDAIY-UHFFFAOYSA-N 462.303 5.855 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(C3CC3)cs2)nnc1-c1ccc(Cl)cc1Cl 509238116 VBELNTZSMFLEHX-UHFFFAOYSA-N 466.419 5.503 30 20 JKED Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)ccc2C)c1 509564895 QSZNWLIFCBBRGH-UHFFFAOYSA-N 463.559 5.015 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 509598470 GFCODDMEDHTROV-UHFFFAOYSA-N 478.346 5.613 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CCOCC2)cc1 510578882 LOPRMSORLJTUGZ-UHFFFAOYSA-N 499.611 5.600 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 511792727 ORCAOYMJHARXEN-QHCPKHFHSA-N 477.973 5.466 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)n2CC(C)C)cc1 513906202 UZISAPRYFVDUIW-UHFFFAOYSA-N 484.025 5.302 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1Cl 515325464 KUBVJHLIHJUWSW-SFHVURJKSA-N 473.429 5.204 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1Cl 517286731 ZZDQSBUMXGTRLN-DEOSSOPVSA-N 485.971 5.055 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 517465374 CBMMAVLUDRBWBV-OFNKIYASSA-N 457.599 5.367 30 20 JKED Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)c1 517520419 DPSRZPVBPKAQBL-SFHVURJKSA-N 465.600 5.442 30 20 JKED CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 519198915 CTABVUIAPSKVEZ-UHFFFAOYSA-N 486.547 5.045 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OCc1ccncc1 519988512 WSLMGMUQCJKDFU-FQEVSTJZSA-N 494.551 6.216 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2csc(Br)c2)cc1Cl 520143035 DZWKDEDAEUWANO-KRWDZBQOSA-N 488.794 5.074 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)s2)c(C)c1 520147249 UGDUDGFPZIYJRG-UHFFFAOYSA-N 477.640 6.003 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 521617045 RLFGQVMSCBAVRJ-UHFFFAOYSA-N 495.501 5.154 30 20 JKED Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2n1 521720881 WUHATZFSNYEXID-AWEZNQCLSA-N 460.386 6.262 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CCOCC1 521767347 JJUWITAJECLOFV-UHFFFAOYSA-N 470.013 5.136 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(COCC)c2)c1 522553648 HYDDDICFUQFISX-UHFFFAOYSA-N 485.005 5.510 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1Cl 523311351 IMWHHPAKGFIBTH-LJQANCHMSA-N 499.855 5.986 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4c(ccc(Cl)c4Cl)C3)c2)cc1 523900686 YWEQAUOUKAUEGR-UHFFFAOYSA-N 466.368 6.229 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccccc3Br)o2)cc1Cl 589941704 IVULGZRMGACJCD-UHFFFAOYSA-N 463.744 5.145 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccc(OC)cc1 589941764 WSCOMFYQNLMAIN-INIZCTEOSA-N 493.658 5.319 30 20 JKED Cc1c(C#N)c(NC(=O)CCn2cnc3sc(-c4ccccc4)cc3c2=O)n(Cc2ccco2)c1C 590612502 BLUPQUCFWYQYNI-UHFFFAOYSA-N 497.580 5.085 30 20 JKED COc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1Br 603690698 OFOOPSMKOPNWSR-AWEZNQCLSA-N 467.323 5.399 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c1C 603903765 KTEOWUODJWRORJ-UHFFFAOYSA-N 452.583 5.953 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)cc1Cl 604130013 KHCKUVCNBBWTHC-FQEVSTJZSA-N 486.786 5.600 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 604131701 HNABCNVEWHLEIW-YCRPNKLZSA-N 485.893 5.830 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NC3CCC(c4ccccc4)CC3)c2)cc1 604138700 ZWKJTJZRFFRULI-UHFFFAOYSA-N 467.569 5.113 30 20 JKED COCCN(Cc1ccc(C)cc1C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604500483 IMTIMNOJFXUMIZ-UHFFFAOYSA-N 456.546 5.108 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)cc1 608948123 WTTXYYAMKLODOQ-UHFFFAOYSA-N 478.961 5.213 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3N3CCSCC3)o2)cc1 609059548 JELYDLZPTRQVNC-UHFFFAOYSA-N 453.951 5.189 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc4c(c3)OCCCO4)cc2Cl)c1 609079434 CGFKCBMJFMRPFV-UHFFFAOYSA-N 463.921 5.274 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccccc3-n3ccnc3)cc2Cl)c1 609080026 RNDJAFZUBFJIQW-UHFFFAOYSA-N 457.921 5.298 30 20 JKED CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609163888 BSWLWDHTLWRWBG-PZJWPPBQSA-N 467.978 5.079 30 20 JKED CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 609427851 VHOZHHUJMYNPJT-IBGZPJMESA-N 485.675 5.244 30 20 JKED C[C@H](c1ccccc1F)N(C)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 613005290 AUVNWFYPHIEAHG-GFCCVEGCSA-N 468.369 5.933 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 613289735 DGLQMHPMNOOHPG-HXUWFJFHSA-N 491.576 5.618 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)no1 613394092 AVZIANRIYMBJDT-NFRJURENSA-N 474.586 5.371 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1cccc(C(F)(F)F)c1 613407314 QJQOKKGBGFAILR-HNNXBMFYSA-N 460.868 5.953 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1-c1ccc(F)cc1 613936311 FXEUQLPJBOLNRI-MRXNPFEDSA-N 450.539 5.328 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CC)c1ccccc1OCC(=O)N1CCCC1 616121771 COGNFFSXUIQMAH-HXUWFJFHSA-N 476.042 5.252 30 20 JKED O=C(Cc1ccc(F)c(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517848 PXTDBSAJKIBRBE-KRWDZBQOSA-N 453.329 5.145 30 20 JKED COc1cc(-c2cc(C(=O)[C@H](C#N)c3nc(C)cs3)c3ccccc3n2)cc(OC)c1OC 642281712 CBRYYISSBGORBC-SFHVURJKSA-N 459.527 5.183 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccco1 670476859 CVAPUCZUGHQDLD-SNVBAGLBSA-N 457.770 5.804 30 20 JKED COc1cc(C=Nn2cnnc2-c2ccccc2)cc(Br)c1OCc1ccccc1 725856389 JONPVVOQHOTUJY-UHFFFAOYSA-N 463.335 5.177 30 20 JKED O=C(Nc1cccc(C(F)(F)F)n1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 726146981 KNUGRTKJOJULHR-UHFFFAOYSA-N 462.268 5.235 30 20 JKED COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 726696361 NXTJJIZPLULJQP-DHIUTWEWSA-N 460.965 5.404 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nc(NCc2ccco2)ncc1Cl 727997218 VFIVRKATSAOQGL-UHFFFAOYSA-N 473.920 5.347 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 728011158 CXIOERKLLNJBOQ-GJZGRUSLSA-N 472.467 5.135 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 728130187 MTZFDDQCCBIEFC-QZTJIDSGSA-N 474.527 5.635 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)COC)c1 728182485 STBXMTUFGHAMND-HXUWFJFHSA-N 486.597 5.052 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(SC)cc1 728390413 KOZVAAUUJBQYCG-RPWUZVMVSA-N 459.571 5.490 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(C(C)(C)C)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697317 NMGHMOJFTRXCSH-PWDHXYDTSA-N 469.585 5.419 30 20 JKED CN(C[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1)C(=O)OC(C)(C)C 728738927 VLBVJHHYXXHYOD-YKSBVNFPSA-N 462.594 5.453 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)nc2)c1 729173829 ZHFGMNBZKNIJLX-UHFFFAOYSA-N 492.384 5.031 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 729726893 LUYRWZBUYCLBFT-UHFFFAOYSA-N 487.726 5.545 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2C2CCC2)cc1Cl 730463455 XQFDKMJFXLMYBR-OAQYLSRUSA-N 485.993 5.064 30 20 JKED N#C[C@H](C(=O)CCc1cc(Br)cs1)C(=O)Nc1ccccc1Oc1ccccc1 730686882 KBRNOGFQYVNEAH-GOSISDBHSA-N 469.360 5.583 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1F 730688527 XZGURRRXYBVQAS-LJQANCHMSA-N 489.503 5.926 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 730942937 ZRYQFZDPIUOKSN-AVRWGWEMSA-N 498.583 6.095 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730993923 FXYRYLBMWDYHPT-UHFFFAOYSA-N 479.524 6.239 30 20 JKED Cc1nn(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c(C)c1Cl 731065061 YNNXYMMDZSDOCL-HNNXBMFYSA-N 482.993 5.190 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)c2)cc1 731106649 ZYTNKXITMZZRSD-HHHXNRCGSA-N 473.548 5.448 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)c(Br)c1 731108604 KGGAMQXZIBXCBV-FOIQADDNSA-N 452.327 6.126 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCOc3ccc(Br)cc3)n2)cc1 731289244 QJTVCZMXTVDJLY-HXUWFJFHSA-N 480.387 5.870 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(Cl)s2)cc1 731304810 BJXQVTNEBWPETH-IBGZPJMESA-N 486.018 5.576 30 20 JKED Cc1ccc2c(c1)[C@@H](N1C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC1=Nc1ccccc1)CC2 731307312 QXXUYOCKAVIZLR-ZEQRLZLVSA-N 471.582 5.348 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@H](C)c2cccs2)c1 731311545 DTVDEPQQQFABNK-PKWGXKOHSA-N 479.627 5.352 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1F 746694361 ZRPAFQKPYBSQGV-NRFANRHFSA-N 475.561 5.050 30 20 JKED NC(=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(OCc2ccccc2)cc1 746698898 GNCZVSFMVBLHGZ-UHFFFAOYSA-N 469.328 5.460 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1C 837299772 MLRSFPREGFJDSA-XXBNENTESA-N 458.587 5.420 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 837302025 PLZUVHSAVBWIGZ-AVRWGWEMSA-N 498.583 6.095 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C3CC3)CC2)c(C)c1 837427257 PQXDKEWHESBZAU-XMMPIXPASA-N 494.636 5.030 30 20 JKED CC(C)N1CC[C@@H](C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)[C@H](c2cnn(C)c2)C1 849599911 DJQUASONBDZCJW-RPWUZVMVSA-N 494.064 5.549 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 912832126 QBZDOOKAZHEOJW-UHFFFAOYSA-N 452.527 5.287 30 20 JKED C=CCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(Cl)cc1Cl 914868151 LDCUGIUAMDKMMB-UHFFFAOYSA-N 461.176 5.365 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2cccnc2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102218 OVZLBBWMLYQMHW-SFHVURJKSA-N 485.396 5.241 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)c(-c2ccccc2)cc1OC 915270590 LFWYPDOQKAVVCY-UHFFFAOYSA-N 450.951 5.454 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C)cc2)c1 916205776 LNAVRHRMHNTMNL-XMMPIXPASA-N 489.597 5.173 30 20 JKED CC(=O)N(c1nc(C=NNc2nc(-c3ccccc3)cs2)cs1)c1ccc(F)cc1F 916545202 AWODIUCBHWBZIH-UHFFFAOYSA-N 455.515 5.675 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c2c(C)c(C)sc2n1 916847021 JKTMFJHZLFCONL-AWEZNQCLSA-N 495.655 5.174 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916916670 ZIQMRNMRHXZCID-QFIPXVFZSA-N 464.550 5.569 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)nn2-c2ccccc2)cc1 916937271 BTHKBOKGOWLBSM-FQEVSTJZSA-N 488.906 5.302 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997020 QQPJEHAQFATBHU-KZULUSFZSA-N 490.437 6.432 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045667 ZMJNNADVHIIOJG-SFHVURJKSA-N 493.514 5.937 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2csc(C)n2)ccc1Cl 917316917 MZAFSZKKFJIBTM-UHFFFAOYSA-N 496.441 5.070 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2nc(C(F)(F)F)ccc12 917426023 FFSPVWYCWCRJGF-CYBMUJFWSA-N 472.275 5.892 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)cs1 917560743 YGVGGNYDCLNXKD-KAMYIIQDSA-N 462.575 5.562 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/SC(=Nc3ccccc3C)NC2=O)cs1 917563658 RHBCGMPWKWIUGM-YBFXNURJSA-N 468.991 5.681 30 20 JKED Cc1nc2sccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 917580870 VTCGPDSFAYSLAW-UHFFFAOYSA-N 469.570 5.289 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H]3CCN4CCC[C@H]4C3)C2=O)c1 917663528 RMIURODXGRJGGK-SKPFHBQLSA-N 494.636 5.030 30 20 JKED CCCCN(C(=O)c1ccccc1OCC#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 919980584 QQYNEJLDSANPFK-UHFFFAOYSA-N 460.386 6.466 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(C2CCCC2)C1=O 920174666 CYMIJYQJJLRKMN-HSZRJFAPSA-N 463.603 5.087 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C[C@H]1CCCO[C@H]1c1ccccc1 920352834 UUYDMNDSTJRYKJ-HNVPCBRESA-N 491.657 5.072 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3c(C)noc3C)C2=O)cc1 920353698 QBZDZUXDTZDBPH-HSZRJFAPSA-N 476.602 5.377 30 20 JKED COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 920461904 DWIDIZVYBXZPBX-UHFFFAOYSA-N 487.556 5.391 30 20 JKED NC(=NOC(=O)CCCSc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1cccs1 921013379 PYKXGWRNKUHSOX-UHFFFAOYSA-N 471.054 5.114 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1783393326 GGKFKBIQAMHNMQ-RUZDIDTESA-N 493.570 5.017 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)cc2)CCC1 1785816240 CLWLEZCBOMKSJS-FGZHOGPDSA-N 495.664 5.350 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)cc1 1786333389 RUDADEIXYLPAEU-DNQXCXABSA-N 483.543 5.257 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CNc4ccccc4C3)CCC2)cc1 1786678414 QXHAESYDZREGIJ-HXUWFJFHSA-N 463.647 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnn(C(C)(C)C)c4)cc3)CCC2)c1 1787072334 NNPRZIIEZQZLRA-LJQANCHMSA-N 469.589 5.327 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)c[nH]5)CCC4)cc3)n[nH]2)ccc1Cl 1788312767 STGQKZPBBCBDPM-UHFFFAOYSA-N 498.974 5.300 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)n4C)cc3)CCC2)c1 1788847646 KQNOQVUCOUWTDC-KRWDZBQOSA-N 494.517 5.732 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789201619 WFVPHSNBJPIBOS-REWPJTCUSA-N 483.653 5.512 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1789454801 DCYRZHXVYPNJGY-VXKWHMMOSA-N 469.626 5.192 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnccc3F)CCC2)cc1 1789508742 GFFCJIDTHCTBQG-UHFFFAOYSA-N 451.618 5.020 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1789574474 CPTSCBFVUVLIDK-RWPZCVJISA-N 474.948 5.281 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc4nccn34)CCC2)cc1)c1ccccc1 1789600863 RZEKQBBGWXCYQI-RUZDIDTESA-N 476.580 5.279 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)c1 1790255213 JYPXMRLXNGBLHK-UHFFFAOYSA-N 464.447 5.034 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)cc1 1790286897 KPEIGHPOCWZRSS-UIOOFZCWSA-N 465.553 5.118 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1790563950 VYSHIGVFUIXDPX-LJQANCHMSA-N 486.012 5.434 30 20 JKED COc1c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)ccc(F)c1F 1790728538 RWFZRILEBFJFPK-UHFFFAOYSA-N 479.458 5.046 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3O)cc2)CCC1 1790807431 FNQQRUJGWBSNME-SFHVURJKSA-N 476.598 5.037 30 20 JKED COc1cc(Cl)cc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)c1 1790837204 URDBMCQOWYNRHY-UHFFFAOYSA-N 499.958 5.158 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](c3ccccc3)N(CC)CC)cc2)CCC1 1791126915 KYQGVAARHLEELI-HHHXNRCGSA-N 477.649 5.186 30 20 JKED Cc1ncc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)s1 1791839902 CBRJYXKEDFDDNG-UHFFFAOYSA-N 488.613 5.101 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccccc4)nc4ccccc24)C3)C1 1792501803 IMKZBCJJUBGGNP-NUNAXRQHSA-N 451.570 5.120 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1801697053 CYSJYBGHOMUSBU-ZMMAXQRCSA-N 475.967 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1802491143 HYTARQLWBOIAPQ-SKOLMDMMSA-N 470.617 5.275 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1802494607 DFOXSXFTMXETPF-DENIHFKCSA-N 474.432 5.700 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CCCc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1803491473 CNYSTIXFINDZGE-HOFKKMOUSA-N 499.577 5.323 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cc(C)cs2)[C@H]1c1cccnc1 1804528383 GXPFXCALWXJWMY-ZJSXRUAMSA-N 453.652 5.083 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc(Br)cc(C(C)C)c3)CC2)C1 1806678602 JGDBQTQFAXNGIG-UHFFFAOYSA-N 493.511 5.337 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1806682979 DDALJUQMEGZNKW-WIOPSUGQSA-N 468.041 5.366 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1810168174 FQSZTHWAKCEMOT-YCQBOCBHSA-N 468.601 5.051 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3cnco3)c2)[C@@H]1c1cccnc1 1811371524 GWTUTUOPRHIPNG-NOZRDPDXSA-N 472.589 5.049 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3c(F)cc(Cl)cc3Cl)[C@@H]2c2cccnc2)cc1 1811458996 FZTYCZAJXAORCZ-JPYJTQIMSA-N 497.357 5.033 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1811955149 BDYYXBBFONHYKN-YNOBPPCASA-N 480.612 5.465 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3occc3n2-c2ccccc2)[C@H]1c1cccnc1 1812592366 UEIPZIWDIGSKSB-ZIHSNCGMSA-N 482.584 5.150 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1812593011 WZAGZCWPUIGOLR-HTZUNMPGSA-N 464.368 5.059 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[C@H]1c1cccnc1)c1ccccc1 1812709428 YEDDTRVTADHBKP-SICWWQCESA-N 483.656 5.111 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814735354 LCFKRQVVXHUNLX-NTKDMRAZSA-N 487.629 5.087 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c(O)n1 1816240197 RNGLFRHPGDRDNV-IBGZPJMESA-N 491.573 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679734 NGOLXAKPQPKPDG-DNVCBOLYSA-N 484.025 5.747 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818117545 XDKGCYFNSMCAAP-AVHDXFAHSA-N 476.602 5.015 30 20 JKED Cc1nc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)c2s1 1818537156 KXTIFAUGPHGGHJ-QFIPXVFZSA-N 484.585 5.014 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)n[nH]1)C(F)(F)F 1818931483 PXBAXQKHYQOAHN-DODZYUBVSA-N 452.521 5.127 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2 1819597480 AKUSQGAWSSKQKM-KGLIPLIRSA-N 487.050 5.400 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N[C@@H](C)c1ccccc1)C1CC1)CC2 1820101123 WMHZMCQCDFSYRL-XZOYJPPVSA-N 494.705 5.177 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2occc2NC(=O)OC(C)(C)C)n[nH]1 1820370047 YRQTUOAOFWXNFU-XLIONFOSSA-N 497.596 5.424 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437247 BNUDZYGUCAEZDA-UPVQGACJSA-N 488.588 5.081 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1820971156 ZZHUTRSDLNEXFD-WMLDXEAASA-N 488.013 5.385 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c(Cl)c1 1821304708 SROXJHLJDCBXDW-HSZRJFAPSA-N 473.964 5.432 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]n1 1822380803 FDQCQJYONINARD-BXKMTCNYSA-N 485.613 5.249 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1822400419 KXQRAPKJOMUYPQ-HSZRJFAPSA-N 453.546 5.211 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)[nH]n1 1822401432 QDIJUFALAZXPPI-QHCPKHFHSA-N 460.603 5.584 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1)c1ccc(O)cc1 1822468825 APNJEBVVDGMDCC-SGIRGMQISA-N 474.605 5.051 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)ccc3C(F)(F)F)n[nH]2)c1 1823302850 QXFIFQWRBLOTJB-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823311594 GKVJWOMQNNXNGE-INIZCTEOSA-N 497.846 5.051 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)C4(C#N)CCC4)n[nH]3)ccc21 1823378674 MLMZWQIWWZIQNL-RUZDIDTESA-N 494.599 5.537 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)c1 1823379382 ADIVDPIJLLZRLA-FQEVSTJZSA-N 498.425 5.295 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1824141640 YPALXDQDBMNSGD-NEKDWFFYSA-N 477.693 5.439 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824449882 OUJJETGLHUJMCN-RDPSFJRHSA-N 494.598 5.239 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSC3CCCC3)CC2)c1 1824480558 XTAOYNQBVVZRTO-CPJSRVTESA-N 467.679 5.223 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)CC1 1824759117 JVMDDKSYDLZONG-XZOQPEGZSA-N 489.701 5.068 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1)c1ccc(O)cc1 1825301959 AYBBMYWSOHNRGV-UQHINCPXSA-N 490.669 5.284 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC#N)CC2)cc1Cl 1826692990 ABUXHTSMKIIJTC-NRFANRHFSA-N 480.436 5.318 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CNc3ccccc32)CC1)c1ccccc1 1826922459 SSSDNNULBVNQCP-RWPDHJIBSA-N 483.656 5.013 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccccc2F)CC1)c1cccs1 1827681840 SSNSMWOLEREPLG-XIQMRYHBSA-N 496.648 5.269 30 20 JKED Cc1c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc([C@H](C)C#N)c4)sc3C2)oc2ccccc12 1827696466 CMKCYJFICOLNOJ-DNVCBOLYSA-N 484.581 5.364 30 20 JKED Cn1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc2ccccc21 1827995827 PGHDLMLXLILKQP-RUZDIDTESA-N 489.019 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828686549 XVPGZCCHWJCATQ-QFIPXVFZSA-N 471.045 5.442 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(N(C)C)cc2)CC1 1828829488 ILCLJLBVPWRJLD-RRPNLBNLSA-N 465.682 5.073 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1828885956 PBMFUZNXYWZCRG-SXOMAYOGSA-N 490.644 5.285 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccoc2)CC1)c1ccccc1 1829035157 KUBWASVKKHBIEI-SVBPBHIXSA-N 460.618 5.029 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765789 QCWDCORPLAESGU-RUZDIDTESA-N 481.040 5.157 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3F)CC2)cc1C#N 1829886604 JHXJERDZNHLCDD-VWLOTQADSA-N 495.570 5.171 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1830015157 KVTFNUSNJXZAAA-HSZRJFAPSA-N 469.507 5.124 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 1830769008 FCMPTVWAWXMVIP-XMMPIXPASA-N 455.558 5.160 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)cc(OC(F)(F)F)c3)CC2)CCC1 1830803959 MWGKDJOJMIYOAA-HXUWFJFHSA-N 497.945 5.166 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc43)CC2)c1Cl 1831977010 GSZYBOAYMWXEHT-ILBGXUMGSA-N 476.020 5.175 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1832169892 VGWDOLFHEWAGLA-FDDCHVKYSA-N 497.064 5.021 30 20 JKED CSc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1O 1832633030 BFLDKIMBSNWOOV-YADARESESA-N 491.657 5.288 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)CC2)C1 1832704506 MHVWESPGPAUJMH-OAQYLSRUSA-N 452.492 5.044 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)C1 1832717113 HUAZERLJYHEFET-NRFANRHFSA-N 468.947 5.558 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1832826880 FFYMFQYMQDGBGU-QHCPKHFHSA-N 459.615 5.096 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3OC(C)(C)CC4)CC2)CC1 1838055488 OSBSIEBMIPGMRX-UHFFFAOYSA-N 496.692 5.395 30 20 JKED C=C(C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(CCCCC)cc3)CC2)CC1)C(F)(F)F 1838757177 KLLLJQCYFWRBAX-UHFFFAOYSA-N 494.598 5.079 30 20 JKED Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)c(Cl)c1 1838821458 BZRZQUBZXBYMMC-FQEVSTJZSA-N 494.035 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1841057626 IFDPYADJXQZAMA-UHFFFAOYSA-N 455.602 5.416 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1841319752 CIJRNIURYGDVHR-UHFFFAOYSA-N 465.421 5.366 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)C1 1845121494 HECMLWSZAIANEE-OAQYLSRUSA-N 466.025 5.213 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3cc(F)ccc3OC)cc1Cl)C2 1845980563 ULKVQPUCVHDLMN-QGZVFWFLSA-N 470.972 5.184 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)c1 1847472172 KUDZQLOMURZCCP-DQEYMECFSA-N 494.620 5.216 30 20 JKED CC(C)Cn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl 9847683 JACYPEDZDUYIPN-QKKBWIMNSA-N 468.454 5.443 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2cccc(C)c2)cc1 11268801 TYYGQSMUIKTGKH-UHFFFAOYSA-O 454.413 5.658 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)N(CCC#N)c3ccccc3)c3cnn(C(C)C)c3n2)cc1 11677425 ZGDFINACMAGFRZ-UHFFFAOYSA-N 481.556 5.091 30 20 JKED Cc1ccccc1-c1noc(COC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)n1 11683855 VAJDFKVKCQGSQA-UHFFFAOYSA-N 484.537 5.005 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OCC)nnc1-c1ccc(Br)cc1 16832703 GFIJYTXANHHLAD-OAHLLOKOSA-N 487.423 5.412 30 20 JKED N#Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 20969273 QPIUCIISRKCTQQ-KRWDZBQOSA-N 458.370 5.814 30 20 JKED Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1Cc1ccccc1 21684858 VJMPIJXSRJFRAP-FQEVSTJZSA-N 471.586 5.322 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 22733380 VSQZHWAPICVCLZ-UHFFFAOYSA-O 497.587 5.978 30 20 JKED C=CCN(Cc1cccs1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 24639075 BCDSIYMUVJEWJD-UHFFFAOYSA-N 458.543 5.266 30 20 JKED COc1ccccc1-c1nnc(SCCC(=O)Nc2cccc(C#N)c2)n1-c1ccc(C)cc1 26371371 SPVUZCYOIPADNP-UHFFFAOYSA-N 469.570 5.244 30 20 JKED O=C(N[C@H]1CCSc2ccc(F)cc21)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 26555585 FVSLOCGQOKQNFU-INIZCTEOSA-N 489.416 6.016 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccccc2)cc1 28793526 USLCKKOYFQPVKS-UHFFFAOYSA-O 462.639 6.076 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1ccco1 29548670 GEMRELDOVFWQBB-HXUWFJFHSA-N 458.587 5.434 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-n3ccnc3)cc2)nnc1-c1ccc(Cl)cc1Cl 29919470 RKGVESDOXNAHFB-UHFFFAOYSA-N 485.400 5.354 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)c3ccccc32)c1 195624686 HFQJISMXRKSHKH-SFHVURJKSA-N 466.990 5.485 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccccc1 303378067 VEDBBVFDWWXAMZ-HXUWFJFHSA-N 458.587 5.081 30 20 JKED N#Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)c1 478474093 HYMFYNYDMJNUKM-HHHXNRCGSA-N 458.521 5.173 30 20 JKED Cc1ccccc1C1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCOCC1 481571864 JLZYWLGSLWGWAB-UHFFFAOYSA-N 473.548 5.455 30 20 JKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 498710435 INFJBXUOYVYJRO-UHFFFAOYSA-N 494.511 5.185 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCCNc3ncc(Cl)cc3Cl)c2)cc1 503443031 VHPQXYBPUXRHLW-UHFFFAOYSA-N 470.360 5.267 30 20 JKED CCn1c(SCC(=O)N(CCC#N)CCC(C)C)nnc1-c1ccc(Cl)cc1Cl 505192597 AIEHPEYZTIEINR-UHFFFAOYSA-N 454.427 5.152 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c1C#N 509040340 SOVGYULOQZCEAK-UHFFFAOYSA-N 459.619 5.428 30 20 JKED CN(Cc1ccc(Br)s1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509899210 NWKVKVBPQCYZBA-UHFFFAOYSA-N 470.392 5.820 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCOc4c(Cl)cccc43)s2)cc1 510600799 MGZXDZPKWCRWJU-INIZCTEOSA-N 457.968 5.001 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 510752779 YHWNSISWRHWCIE-QGZVFWFLSA-N 460.509 5.160 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 511337215 GHLGGTWLPDZDOA-UHFFFAOYSA-N 496.398 5.388 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511423035 VBZLWZRVRGVNDN-UHFFFAOYSA-N 497.382 5.741 30 20 JKED C=CCn1c(SCC(=O)N2CCCc3c(F)cc(F)cc32)nnc1-c1ccc(Cl)cc1 512383305 WKJSWJXTVYXAHG-UHFFFAOYSA-N 460.937 5.134 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)n2)cc1 512505379 YNYHHRLXDJONJJ-RCZVLFRGSA-N 490.544 5.114 30 20 JKED CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CC1=O 514559058 BNIMUMMZVUPQSA-NQIIRXRSSA-N 468.557 5.559 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1cccc(C)c1 514955066 FIQIRZYTAFTWMB-CQSZACIVSA-N 453.568 5.308 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 516304975 BMSHXHCDIVQZHS-INIZCTEOSA-N 465.456 5.076 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC1(c2cccc(F)c2)CCCCC1 516349972 BGHQBYMTDMGYEH-UHFFFAOYSA-N 486.547 5.150 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 516795707 VPXJIWWANWLYFS-MRXNPFEDSA-N 467.528 5.178 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2cccc(F)c2)C2CC2)cc1Cl 517151279 FXVDYMNYBLMYQK-QHCPKHFHSA-N 461.924 5.264 30 20 JKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1cccs1 517319817 VEFORWBXAZNUPW-QFIPXVFZSA-N 462.575 5.348 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 519905090 RZOCHBAPQADTKT-UHFFFAOYSA-N 460.500 5.104 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 521330568 SIWFECFNBSEPBM-OAHLLOKOSA-N 487.553 5.412 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 521811079 RJIGKKLVIOZJFU-INIZCTEOSA-N 478.445 6.258 30 20 JKED Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 524572671 MAYLDWIWQKIRDT-IBGZPJMESA-N 492.359 5.236 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1C 553053683 FEWPPMOMCQCRHL-UHFFFAOYSA-N 469.589 5.395 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2)cc1 589298421 NWPUVHBJQWUMFV-UHFFFAOYSA-N 495.604 5.958 30 20 JKED C=C(C)COc1cccc(NC(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 589739516 RECRJGQIPGQAIF-NRFANRHFSA-N 461.484 5.146 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Nc2sccc2C#N)c1 603451938 NPIRRYRJIRSWML-UHFFFAOYSA-N 491.516 5.272 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 603457919 OSJTUEVOWZSPTP-UHFFFAOYSA-N 457.530 5.683 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)CC1 603591018 CYTNJVMXXOYWTQ-MNDPQUGUSA-N 491.551 5.014 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c([N+](=O)[O-])cc1OC 603613654 JHSKGQNQMLNVHV-OAHLLOKOSA-N 457.895 5.269 30 20 JKED CSc1ccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)N2CCc3sccc3C2)cc1 603669362 BRMSZWNXHNUBQX-XMMPIXPASA-N 461.656 5.190 30 20 JKED CN1CCN([C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2cccs2)CC1 603746851 BXNYTPFZHZKUOQ-ISKFKSNPSA-N 494.064 5.167 30 20 JKED C[C@H](c1ccccc1)n1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 603917519 ZVMSUYXXNXFYFD-QGZVFWFLSA-N 473.989 5.810 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 609066844 USZFCLBKYWINPU-UHFFFAOYSA-N 489.438 5.102 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 609078397 OJQWCHNRMKVQAY-HHHXNRCGSA-N 454.574 5.404 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609185187 WKNUMWWWDKLASY-UHFFFAOYSA-N 497.979 5.657 30 20 JKED CC(C)[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(-c2cccnc2)no1 609206448 OGZBODXIOMMHFO-XMMPIXPASA-N 482.544 5.295 30 20 JKED COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387204 SHWQHKZURQYZFT-LBPRGKRZSA-N 457.905 5.812 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 609434973 IHZZKLMKDLGSFJ-IBGZPJMESA-N 457.603 5.360 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 609436081 GDTMVLSVNPIPTE-QGZVFWFLSA-N 462.550 5.794 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613403948 IINMJDDDRNEGBN-SFHVURJKSA-N 480.471 6.449 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H]1CCSc2c(F)cccc21 616407353 TUSOAZXEAFDTNQ-AWEZNQCLSA-N 466.378 5.155 30 20 JKED C=CCn1c(SCc2csc(C3CCCCC3)n2)nnc1[C@@H]1COc2ccccc2O1 643092422 LGGXIHUCEIDDGM-FQEVSTJZSA-N 454.621 5.773 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NCC(F)(F)F)[n+]2ccc3c(c2)CCCC3)C=C1 725759598 FWJSIIKPOUGOHD-UHFFFAOYSA-O 492.587 5.013 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c2ccccc21 725993926 CDSOJZOAFADKLX-UHFFFAOYSA-N 483.471 5.737 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 726396603 FUSHNFDJZRRDQC-BLVKFPJESA-N 499.942 5.143 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 726410841 JEZFLKKNKGBASS-DFBJGRDBSA-N 498.608 5.183 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC(C)C)cc1 726414947 GLKPUCWEMFECQO-HXUWFJFHSA-N 493.551 5.863 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1cccc(COC(C)(C)C)c1)c1cccs1 726415205 FXGVCPGKFYQGQU-XZQHVQAJSA-N 499.702 5.293 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)cc1 727028490 YROVOUFGWMCJFR-MHZLTWQESA-N 490.567 5.380 30 20 JKED CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 727137176 WWZCXQGJKMLYLR-RUZDIDTESA-N 471.557 5.536 30 20 JKED CCn1cc(N=c2scc(-c3cc(C)ccc3OC)n2C2CCN(c3ccc(C#N)cn3)CC2)cn1 727252566 HFSVJNPJOQRBNX-UHFFFAOYSA-N 499.644 5.091 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cc(C)ccc2C)c1C 727252926 UKDNBCOCZWJLJO-DEOSSOPVSA-N 489.645 5.297 30 20 JKED C=CCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 727747511 XXYDHHAKYUFRPI-UHFFFAOYSA-N 491.310 5.156 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1ccc(-n2cncn2)cc1 727780402 NBGNTWIVVJLAJD-WCIBSUBMSA-N 451.349 5.358 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1Br 728062184 IZQIHWOFWVCOHG-MRXNPFEDSA-N 450.336 5.339 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 728119211 LAWLGWARCSVGGU-QFIPXVFZSA-N 478.593 5.214 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cs1)c1ccc(C)cc1C 728345444 IVEPZUQWQVMQOI-DEOSSOPVSA-N 474.586 5.028 30 20 JKED COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728668592 ZJCDVYCDEIVEBL-OAHLLOKOSA-N 450.878 5.197 30 20 JKED CCn1c(/C(Cl)=C/c2ccc(O[C@@H](C)C#N)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 728698781 OPMBMYOPXHTXSW-CEZZIEKDSA-N 499.036 5.259 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3)C(=O)N2CCCCC#N)cc1 728777236 JQEBGNRNCBQJTI-QFIPXVFZSA-N 492.601 5.162 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 729144124 BURKILDCWSNPJL-SFHVURJKSA-N 471.007 5.265 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(C(C)C)c1 729145365 KPEVPLQFEAKLJM-JOCHJYFZSA-N 492.670 5.413 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3scnc3C)C2=O)cc1 729146308 QXUFDOSDMDEFTQ-LJQANCHMSA-N 485.034 5.574 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729146887 ZZWXKCLDGCQGPI-PZJWPPBQSA-N 459.974 5.088 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 729557173 FOBPUBHUKQLNDD-AVRDEDQJSA-N 483.012 5.764 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 729562260 ADPWZYHXYSLCSA-GOSISDBHSA-N 484.984 5.773 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H]2CCc3c(C)cccc32)cn1 729630818 ATJHBOLTKFHCHC-BJKOFHAPSA-N 487.629 5.168 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ncccc3C)C2=O)c1 729634241 JTTLTWLNLKGDMU-DEOSSOPVSA-N 488.613 5.176 30 20 JKED CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1cc2ccccc2n1CC#N 729647956 HHJFJOMRZHRVMH-UHFFFAOYSA-N 489.553 5.340 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc2cc(Br)ccc2c1Cl 729827598 PRYFJZPKKYTSQV-UHFFFAOYSA-N 470.779 6.066 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1)c1ccccc1 729888502 GSEKXUZQWVNRRK-RUZDIDTESA-N 489.531 5.717 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3cocn3)C2=O)cc1 730729608 NYYMOGPPTNDCQO-CIKHDRDXSA-N 498.630 5.115 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1F 730945842 ZMTJTXOHXNYUQJ-AOMKIAJQSA-N 480.540 5.390 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc([N+](=O)[O-])cc1[N+](=O)[O-] 730995371 QFLRYZRLAUOHPO-UHFFFAOYSA-N 454.386 5.088 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 731068199 VKFZXJKWHXLQOE-AWEZNQCLSA-N 471.991 5.653 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)c(N)c1 731079179 CAFNOCDFAKLZDN-QGZVFWFLSA-N 461.543 5.251 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccn2)c(Cl)c1 731309777 WHMNFLNWBSOVJC-OAQYLSRUSA-N 495.004 5.218 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(CCOC(C)(C)C)C1=O 746696346 MOBRGVCKZRQWJY-JOCHJYFZSA-N 483.634 5.087 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 748583362 BCQMSKMUHACSNX-FMIVXFBMSA-N 474.469 5.035 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 751083066 GZTVICSLJMOEPP-QHCPKHFHSA-N 477.511 6.666 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)nc(O)c2C#N)cc1 802829790 XIQGSQOGZNFCRV-UHFFFAOYSA-N 494.882 5.132 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccccc2F)c1 837349649 OSASPDDGFRPCCJ-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccccn2)c1 837356090 LYNMFHXJZHOSJO-OAQYLSRUSA-N 498.967 5.043 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2COc2ccc(F)cc2)c1)c1ccc(Cl)cc1 839415428 JDNCYZPRAWFAOE-UHFFFAOYSA-N 481.940 5.073 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2cc(C)on2)nnc1-c1ccc(Cl)cc1Cl 912930916 MBEFUEZZQAVXMQ-SFHVURJKSA-N 478.405 5.190 30 20 JKED Cc1cc(CCNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C)n1-c1ccccc1 915749387 UUTGGVJCCXLIEA-MUUNZHRXSA-N 476.580 5.047 30 20 JKED COc1cc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O 916154431 KDOXHLTXAYJMNM-HDSGJDLKSA-N 467.521 5.406 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCc3ccccn3)C2=O)c1 916210280 ZIJZIJBXGREVPP-HSZRJFAPSA-N 493.032 5.555 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccn2)C1=O 916212903 UCFKJSSCVGPTPU-NRFANRHFSA-N 499.423 5.857 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=Nn1c(S)nnc1C(C)(C)C 916308563 LXIIQSZZBRMGER-UHFFFAOYSA-N 457.818 5.260 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905024 KYZJGRGJFHYXPD-FQEVSTJZSA-N 471.513 6.011 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916906345 HGGNFKJMRSHVGQ-DEOSSOPVSA-N 482.609 5.713 30 20 JKED N#C[C@H](C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1nc2cc(C(F)(F)F)ccc2s1 917042823 HEUVHKZTQDJVOA-MRXNPFEDSA-N 473.476 5.235 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)SC1=S 917645249 VSWBEIHPMQARPS-AUWJEWJLSA-N 496.205 5.195 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N([C@@H]2CCN3CCC[C@H]3C2)C1=O)Nc1ccccc1 917653901 YBKPURQNNKIWDD-ZEVJAHDQSA-N 498.652 5.427 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 917712076 CSQRCFAUGVKPBT-CYFREDJKSA-N 472.614 5.927 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 919915603 QUKRSHQULORWRW-DEOSSOPVSA-N 457.530 5.578 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-])c1ccccn1 920109834 JSKPQRGUCATGPG-UWJYYQICSA-N 479.496 5.277 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2C)cc1Cl 920141361 NTOTVMNWBMLVCU-QFIPXVFZSA-N 486.000 5.865 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(CC(F)(F)F)C2=O)cc1 920173350 QGIDOQFJYFWWGX-FQEVSTJZSA-N 491.535 5.097 30 20 JKED C=CCN(C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)c1nc(C(=O)OCC)cs1 920242349 GNSQYOBSYMSVIO-UHFFFAOYSA-N 474.538 5.234 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2c(C)noc2C)c1 920353272 FOXAUMGMIZQWIQ-VWLOTQADSA-N 498.608 5.914 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3c(C)noc3C)C2=O)c1 920355076 HXAKWKGARIHPNP-NRFANRHFSA-N 498.992 5.114 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)s2)n1 920675965 HNMPBTREIWGWJR-UHFFFAOYSA-N 450.994 5.599 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)[C@@H]3CCOC3)c2C#N)C(C)(C)C1 921216856 YKDJSUDMGIZJKF-VGOKWCNXSA-N 482.627 5.286 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2SCc2cc(C)no2)c1 927547446 FHUBPYAOCOEDIB-FQEVSTJZSA-N 477.586 5.384 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1 1786290696 TZKYBBBAPRFSBW-SFHVURJKSA-N 495.608 5.363 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@H](F)c3ccccc3)cc2)CCC1 1786613790 UYWXDOLGFJPFMT-XIQMRYHBSA-N 462.546 5.332 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ncc(Cl)cc3Cl)CCC2)cc1 1786676529 NZWHBLBXERWOIQ-UHFFFAOYSA-N 450.391 5.055 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)cc3)CCC2)c1 1787950182 RZFOFNNVGODBIU-RZDMPUFOSA-N 490.607 5.684 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(n3C)-c3ncccc3OC4)cc2)CCC1 1788320307 MUZUPCHXQAEUHD-UHFFFAOYSA-N 496.611 5.496 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)c1 1788358639 HYLNLFUCDLSUNV-UHFFFAOYSA-N 464.569 5.499 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3occc3Br)cc2)CCC1 1788719265 UXWAAJZLNXDSCU-UHFFFAOYSA-N 453.283 5.001 30 20 JKED COc1ccc2c(/C=C/C(=O)Nc3ccc(C4(NC(=O)[C@@H](S)C(C)C)CCC4)cc3)c[nH]c2c1 1789120150 KPXSIGIQMLVUGA-PYVFBFEOSA-N 477.630 5.278 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)cc2)CCC1 1789221396 YXNDQUWDPCMQFQ-SFHVURJKSA-N 477.992 5.535 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393327 MEFZPSSZEYELCA-STBIYBPSSA-N 477.996 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4N=C(C)CC4=O)cc3)cc2)CCC1 1790324754 KNGBZZUYAXQZOF-RUZDIDTESA-N 484.600 5.315 30 20 JKED Cc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)n1 1790785366 KHYUAFCIQNHPDT-UHFFFAOYSA-N 492.501 5.271 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)ccc1F 1790859912 OIGQWINLXBBCNU-UHFFFAOYSA-N 478.527 5.236 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791587637 AENJXJLHBQJBJZ-FQEVSTJZSA-N 469.626 5.124 30 20 JKED CC(=O)Nc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1 1792123935 UMGMVWLSTCCVBY-HXUWFJFHSA-N 494.595 5.262 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)c(Cl)c3)CCC2)cc1 1792239899 DUWTYPBTNXEJCQ-UHFFFAOYSA-N 495.366 5.087 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1 1792240937 JOGZSYANEJIAMP-ZHALLVOQSA-N 452.517 5.080 30 20 JKED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 1800739950 JSJSOYWQHZDFQO-XKRTTZHXSA-N 489.925 5.286 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn(-c3ccc(Cl)cc3)c1C(F)(F)F)C2 1801637371 CVTSJVPLPKYXCI-WQCNXYOZSA-N 494.945 5.009 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@@H]1c1cccnc1 1802499730 IHFPUXRHTVIYBY-XMSQKQJNSA-N 457.977 5.186 30 20 JKED CO[C@](C)(C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1)c1cccc2ccccc12 1804801631 YLGPMBPFPZBLGM-PMERELPUSA-N 495.623 5.118 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@H](C)c4ccc(Cl)cc4)C3)CC2)c1 1805194938 LSWNACGODRTXCS-NHCUHLMSSA-N 478.036 5.616 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@@H]1c1cccnc1 1809625265 MFNOEOMIYYPTBF-RHGZZMJMSA-N 465.682 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)COc2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1810491596 FEFUNOQMWNEALM-AHWVRZQESA-N 477.649 5.084 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)CCC#N)[C@@H]2c2cccnc2)cc(C(C)(C)C)c1 1811412370 JSKRAEDEQZOLJB-QFQXNSOFSA-N 474.649 5.300 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@@H]2c2cccnc2)c1Cl 1811420076 LAYBPQJPJAFDAU-GAJHUEQPSA-N 497.357 5.033 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1812683298 LJJWEORDHIQRQD-ZJSXRUAMSA-N 495.501 5.312 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)cc1 1814379890 ZFGHIEUQRKNHHW-HXUWFJFHSA-N 473.558 5.028 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)[nH]n2)C1 1814396595 KQGCQGFNMHUQBX-AHWVRZQESA-N 490.554 5.880 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(F)cc3F)n[nH]2)c(Cl)c1 1815521694 NJQLZHYUQXNCQS-MECCDNJOSA-N 495.917 5.232 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)n[nH]1 1816222914 VHKIQPOSXMWKLH-HSZRJFAPSA-N 494.546 5.152 30 20 JKED CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1)c1ccccc1 1816736851 ONXZAWWCIYYHQG-ILBGXUMGSA-N 469.589 5.100 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3ccccc3C)n[nH]2)C1 1817742864 PEFXFFLWOQWEBJ-HSZRJFAPSA-N 455.562 5.052 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)[nH]n1 1819386250 FDUGAADLDPAJPF-HSZRJFAPSA-N 492.696 5.092 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)[nH]n1 1819554440 ZHPUNCPLCDSBGI-NRFANRHFSA-N 475.593 5.671 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)C#CC4CC4)[nH]n3)ccc21 1820225818 OKNLOJKGVIXLTO-AREMUKBSSA-N 479.584 5.257 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437268 COMWSVGIHUVQDI-XXBNENTESA-N 489.576 5.309 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1 1820911363 YYQHKCIGEBVZFX-RZUBCFFCSA-N 499.656 5.008 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 1821087615 XPKDPXDDVMDOSW-ACJLOTCBSA-N 452.452 5.086 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)n[nH]2)C1 1821156427 RQJNURWJZLLZMR-XMMPIXPASA-N 457.578 5.089 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)cc(C(F)(F)F)c2)n[nH]1 1821362602 KRUHNJLAZARLNS-FPOVZHCZSA-N 490.526 5.511 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2O)n[nH]1)c1ccccc1 1821501827 BNWPDQREPPHEBV-GBXCKJPGSA-N 496.567 5.365 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1821986946 UTCAMTALNNLLDK-GOSISDBHSA-N 473.911 5.129 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)cc1C#N 1822962942 WXOQUZHOFSBPRO-QESBPKNKSA-N 489.620 5.345 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)no3)CC2)C1 1823700636 ZPRBVAILZGORHT-HSZRJFAPSA-N 467.997 5.195 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cc(Br)ccc4c3)CC2)C1 1823700730 WQIPEWDLIDBYAP-VWLOTQADSA-N 495.461 5.802 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCCc3ccccc3F)CC2)ccc1F 1824166254 GFXJHBIKKUYATP-HHHXNRCGSA-N 493.598 5.022 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c(C(F)(F)F)o1 1825961060 NFZZIOWLMAUZJZ-NRFANRHFSA-N 473.495 5.026 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)CC1)C(F)(F)F 1826400076 JMKYCYUFINTWQH-HSZRJFAPSA-N 458.524 5.121 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)c2c1 1827694662 ZJZXXQGNDRBQJZ-LAUBAEHRSA-N 497.624 5.028 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828154867 ZULONIMAJQPJGH-HXUWFJFHSA-N 460.640 5.193 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1828823785 BDBDKEYMWYMYEE-DENIHFKCSA-N 469.029 5.170 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1828829574 DWAFGPBVTYHRLC-AZXRPADOSA-N 468.613 5.236 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1828831096 UNBXVPRUBAZNIW-AZGAKELHSA-N 480.052 5.890 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnccc2C)CC1)c1ccccc1 1829030092 JWYYVTKPBXBANC-FQLXRVMXSA-N 485.672 5.140 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829578752 BDZASTDJZVEZKF-HSZRJFAPSA-N 459.615 5.096 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829621538 MMCPLTNVQGNBEN-HOFKKMOUSA-N 499.655 5.431 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829943713 YDJGEPGFZUVMMY-UQBPGWFLSA-N 497.561 5.880 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)cc1 1830013144 SRHZAKYJMWBHPB-QOEIGGFQSA-N 496.655 5.170 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccc(F)cc3)CC2)cc1 1830015170 LHGJYMUGXOZYGJ-MHZLTWQESA-N 496.586 5.306 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1830419456 QXUNGGXXNXBXGM-WIOPSUGQSA-N 487.710 5.039 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830532007 NDJRRZNJCXWNJL-UXHICEINSA-N 474.564 5.032 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 1830714571 BBLYZIPAGCEYJJ-HSZRJFAPSA-N 471.935 5.037 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c(F)c1 1830723055 VPUUJBXJINLHEF-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)CC1 1830802052 FIVAFMMEWJQHFI-RUZDIDTESA-N 495.664 5.379 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2c(C)cccc2C)CC1 1831445382 HTEGOHSUMICYFI-NRFANRHFSA-N 464.622 5.227 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnc3[nH]ccc3c2)CC1 1831729002 GQDJIARWAXDGPQ-DEOSSOPVSA-N 464.654 5.108 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1832028941 NKKFAQXUSQTYMW-HXUWFJFHSA-N 452.517 5.034 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CCC1 1832490183 FPYSGBCQVVKDGI-HSZRJFAPSA-N 456.030 5.271 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)c1 1832630809 NDEGJYBJEGOINR-NIYFSFCBSA-N 479.571 5.068 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1832633863 OLOHGKDBSQOHDV-IBVKSMDESA-N 461.581 5.308 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)c1 1832634085 HOWBAQQVCHNOOL-DJUQAAIZSA-N 493.651 5.943 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711622 PBUSRRLVLXSGLF-IBGZPJMESA-N 496.467 5.810 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)CC1 1835486000 JSSQZALEDBWJAN-ZSQFBXSQSA-N 471.730 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 1845354004 DVPKBHKWIADSFL-MRXNPFEDSA-N 485.344 5.053 30 20 JKED C=CCn1c(SCc2nc3ccsc3c(=O)[nH]2)nc2scc(-c3ccc(C)cc3)c2c1=O 8649315 DQIRMHGBCFNTEX-UHFFFAOYSA-N 478.624 5.210 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172593 BNDPFMRLWCYONQ-UHFFFAOYSA-O 467.605 6.824 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nc2ccccc2c1=O 10769156 FYCRIBRGIDEIOB-ZDUSSCGKSA-N 458.465 5.505 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)n2)cc1 14496963 DWGFGEAJTXDAKY-UHFFFAOYSA-N 458.524 5.993 30 20 JKED Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1C 16833716 IIVZFCWBLGFXGP-OAHLLOKOSA-N 452.605 5.675 30 20 JKED CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17125944 RUMZQEXWKFONAI-UHFFFAOYSA-N 478.574 5.195 30 20 JKED C[C@@H](OC(=O)c1ccccc1C(=O)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18465146 JGMDKOPIANHTGC-OAHLLOKOSA-N 478.595 5.365 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 22245732 UMIDEXCCUPMUAZ-IBGZPJMESA-N 499.681 5.149 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)CC1 22283628 SAOZEXQLTVHCPB-JZGPVCMCSA-N 455.628 5.455 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NCc2ccc(OC)cc2)cc1 22692513 PQXIHTRVXZBNKK-UHFFFAOYSA-O 474.433 5.581 30 20 JKED Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 22729165 XXKFGZXTEVZRNP-UHFFFAOYSA-O 457.644 6.294 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)cc1 22731266 NBLQYWQVUWAZMS-UHFFFAOYSA-O 459.635 5.820 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc3c(c2)CCCC3)c1C 28793354 NMADFNFZVDAILB-UHFFFAOYSA-O 495.068 6.013 30 20 JKED C[C@@H](NCc1cccc(COCc2ccco2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 30511415 ILTRGILLZPIWKW-GOSISDBHSA-N 463.603 5.315 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)N(CCC#N)c1ccccc1 31678492 KEEVVTALAIGYOF-UHFFFAOYSA-N 493.563 5.735 30 20 JKED O=C(NCCc1ccccc1C(F)(F)F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 108771828 GFCUCVCTZDPIEP-UHFFFAOYSA-N 495.345 5.901 30 20 JKED Cc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1F 195580387 UZUBHRVJWBQLSN-KRWDZBQOSA-N 466.925 5.770 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)c2)cc1 482061877 BOTBJABXFYNNEA-UHFFFAOYSA-N 470.916 5.859 30 20 JKED Cc1nnc(Oc2ccc(N(C)S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)c(C#N)c1C 492180061 QRQOADXVPVDYPI-UHFFFAOYSA-N 496.898 5.255 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 501168104 ZVFHTBQHZTXSRW-MHZLTWQESA-N 455.533 5.075 30 20 JKED Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 502375216 BXALONXZIJIHFZ-FQEVSTJZSA-N 481.556 5.414 30 20 JKED N#Cc1cn(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2c1=O 502819948 PSXMYUCWKWUDII-IBGZPJMESA-N 460.748 5.197 30 20 JKED N#Cc1cn(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c2ccc(Cl)cc2c1=O 502841152 LPHYVHXTHCZDOB-UHFFFAOYSA-N 479.927 5.018 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 505271427 LWXMKUVVIJDPLL-UHFFFAOYSA-N 488.385 5.479 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)C2)cc1 505920048 XYENTGYRRKTLHW-VWLOTQADSA-N 469.560 5.400 30 20 JKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)C[C@H](C)C2 509229537 BMFJPVOIJZAPGT-CIJMEZBMSA-N 455.558 5.361 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1Cl 509594435 VULRVDNQGFMXEB-XUZZJYLKSA-N 466.368 6.254 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 510003795 DRNLYQKZUZIPSL-ZCYQVOJMSA-N 475.976 6.382 30 20 JKED CCCOc1ccc([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC 510235410 JJVQIEDSPKNMMW-HNNXBMFYSA-N 483.619 5.382 30 20 JKED CC(C)OC(=O)C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1 511436340 BTVBOPNMVYJECY-DEOSSOPVSA-N 470.529 5.015 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)nc2ccccc21 513681514 DPCTYMNKFLHAQZ-IBGZPJMESA-N 473.330 5.078 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1 514030103 AOCIRTPBOGUCMW-UHFFFAOYSA-N 467.323 5.196 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1 514936307 UXTWBKWUCLPGPC-HXUWFJFHSA-N 499.036 5.258 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1sc2c(c1C#N)CCCC2 515598795 APEXSNACSBFKRU-UHFFFAOYSA-N 455.992 6.027 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 517447188 CFWQQDOJMAINTO-GOSISDBHSA-N 486.626 5.312 30 20 JKED COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 518137597 LUPACLBODMKOSI-KRWDZBQOSA-N 495.626 5.309 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)c1nc(-c2ccncc2)cs1 518642827 OPAQWHIIZARTTH-AWEZNQCLSA-N 456.379 6.730 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2Br)on1 518662872 URBSYJABMSVYRK-CQSZACIVSA-N 486.391 5.829 30 20 JKED C=CCN(C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 518731164 UELWXLPJVJAHPA-JOCHJYFZSA-N 488.595 5.504 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc(-c5c(F)cccc5F)cs4)cc3)o2)cc1 520427572 OXKZAJSHSKAHGT-LJQANCHMSA-N 498.514 6.604 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCc3ccccc3Oc3ccccc3)c2)cc1 521121996 XJBFENAYUWOPHC-UHFFFAOYSA-N 491.547 5.379 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCc1nnc(SC)n1C1CCCC1 590358913 YBHCSVZYVOBILA-UHFFFAOYSA-N 454.065 5.160 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)s2)cc1 602229768 SESSNNZVSGHJKA-UHFFFAOYSA-N 498.951 5.312 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cs2)cc1 603673354 IEZBOYSZIAUTAX-XMMPIXPASA-N 488.012 6.521 30 20 JKED N#Cc1c(CCCNC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)nn(-c2ccccc2)c1N 603802498 AZVURGBSNMVHJA-HHHXNRCGSA-N 490.567 5.094 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)c2)cc1 603953725 ONSNQHUCNINUMR-JOCHJYFZSA-N 479.458 5.094 30 20 JKED COc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604046636 HGFXEEKIWULNCZ-HNNXBMFYSA-N 451.910 5.460 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(OC)c1 604088392 QMBYWYXPTZOAJF-UHFFFAOYSA-N 451.910 5.685 30 20 JKED O=C(CSCc1ccc(Br)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604520045 YOBMRJAHJXMTSZ-PHIMTYICSA-N 482.259 5.411 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1 609106723 PMUODRPAIFTAFO-UHFFFAOYSA-N 490.516 5.066 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccc(OC(F)F)cc1 609410084 CRCFQXNQOVQSHW-OAQYLSRUSA-N 493.901 5.738 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 609430360 SAVCOLCCRXWTMG-KRWDZBQOSA-N 451.573 5.134 30 20 JKED O=C(Nc1cccc(CNC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1)c1cccc(F)c1 618506342 BOZYJKIQWVGPLV-HZPDHXFCSA-N 491.407 5.350 30 20 JKED O=C(NCc1cccnc1Oc1cccc(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618552159 KRSOTPDNORJLIR-ZIAGYGMSSA-N 465.369 5.285 30 20 JKED O=C(Cc1cccc(C(F)F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518067 VJOZWGRFIKMWSD-KRWDZBQOSA-N 467.356 5.804 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 630033211 RNOAATJPBJJKFL-UHFFFAOYSA-N 453.502 5.272 30 20 JKED C=CCn1c(SCc2nc(-c3ccccn3)no2)nc2scc(-c3ccccc3)c2c1=O 641975043 OOBCEUUZDPHPMA-UHFFFAOYSA-N 459.556 5.048 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726229024 CONCXKZYDMTESV-JOCHJYFZSA-N 491.389 5.563 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 726322343 VQXQXBUVUIRUCN-SFHVURJKSA-N 465.296 5.466 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC[C@@H](C)OC 726391848 BZDKQBVDOVGRFS-KOSHJBKYSA-N 491.613 5.234 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 726393917 RUSBHLZMZLUXBK-DJJJIMSYSA-N 498.407 5.518 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406954 NISZBFWWMUEBPE-OPAMFIHVSA-N 489.988 5.328 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(C)C)C2=O)cc1OC 726414721 DWFOTBWXEWIFHP-QHCPKHFHSA-N 499.633 5.107 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)cc1 726415319 JTEIASGTJRVPRF-OAQYLSRUSA-N 498.605 5.230 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(OC(C)C)cc2)no1 726415327 JXSYGYPNUQGKKK-JOCHJYFZSA-N 496.564 5.070 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCOCC(F)(F)F)C2=O)cc1 726422724 YKZLIJOZQPWPRF-ZCGWQADYSA-N 499.580 5.025 30 20 JKED COc1cc(/C=C2\CCc3sccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 726892852 OURAJLKQVNXVAT-FOWTUZBSSA-N 453.947 5.640 30 20 JKED CCOC(=O)N(C)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 727028500 YYIJFGKIOVPYDA-OAQYLSRUSA-N 454.958 5.080 30 20 JKED N#CCOc1cccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)c1 727744292 NOVZQFJNMZUSDP-UHFFFAOYSA-N 466.324 5.557 30 20 JKED Cc1ccc(N2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 728120261 YVLWMSZLRDZOMF-UHFFFAOYSA-N 454.574 5.498 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 728128026 UCIFSVBOASDZRF-UHFFFAOYSA-N 472.511 5.412 30 20 JKED C=CCN(C(=O)c1sc(N2CCCC2)nc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 728162610 HPHWDGQSOZFRJE-UHFFFAOYSA-N 475.983 5.261 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 728776057 HKHTYPLGJBXCMT-LJQANCHMSA-N 475.401 5.648 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 728776675 DHXLGIPGZBFFDY-IBGZPJMESA-N 494.926 5.411 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc3cc(Br)ccc3c2Cl)n1 729869769 DAPJBNFBAHJHLR-LLVKDONJSA-N 469.769 5.115 30 20 JKED COc1cc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c([N+](=O)[O-])cc1OCC(=O)O 730436423 LFEKLCDJJMNIMT-VMPITWQZSA-N 488.905 5.048 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O 730461974 JPGDQHICZOMTLL-CEUZYJICSA-N 491.535 5.095 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccccc1Cl 730685658 BASNWNJMXUOYAW-LBPRGKRZSA-N 451.857 5.249 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cocn3)C2=O)cc1 730712205 KIOZJZMPIOAVDF-QFIPXVFZSA-N 462.575 5.267 30 20 JKED N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 730923438 LNWKHABLXXBWSJ-GOSISDBHSA-N 476.504 5.923 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)C2CCCCC2)c1 731069152 LLVPFKHNZOLRSL-GOSISDBHSA-N 479.602 5.253 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 731081205 ZXUKGNZXGQPJIK-KBPBESRZSA-N 467.374 5.337 30 20 JKED CSc1ccc([C@H]2NC(SCc3ccc(OCC#N)cc3)=NC(C)=C2C(=O)OC(C)C)cc1 731156098 GYXLJORIEZWJDP-HSZRJFAPSA-N 481.643 5.470 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc3ccccc3c2)n1 731313435 XPJCBIKIYFFDMA-RUZDIDTESA-N 496.592 5.409 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@H]2CCCO2)c(Cl)c1 745989119 LIYHBSSPTAUGCB-UZLBHIALSA-N 490.000 5.235 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1F 745991219 QJOHGZQFFQURNM-VQIMIIECSA-N 496.391 5.272 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccccc3F)s2)ccc1S(=O)(=O)C(F)F 747066448 LALMUJYMSYIJFJ-CLFYSBASSA-N 452.475 5.455 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cc(Cl)c(O)c(OC)c1)C(=O)c1ccccc1 747150607 RIRXSCYDIZKNOM-STZFKDTASA-N 463.961 6.084 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(OC)c(Cl)c3)cs2)cc1 750394952 JOAICIRBLKJOTC-KRWDZBQOSA-N 469.950 5.222 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C(F)(F)F)c1 799210259 PSOLYBRFLHXMII-SFHVURJKSA-N 479.911 5.261 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1C 837403197 BLYAQKSHUFBIOM-JPYJTQIMSA-N 476.577 5.559 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(C3CCN(C4CC4)CC3)C2=O)cc1 837637002 BABICERHNXKZBI-VWLOTQADSA-N 490.673 5.199 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2coc(-c3ccc(Cl)cc3)n2)CC1 914955910 CDZKMQJMHRKGID-UHFFFAOYSA-N 478.892 5.074 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2cccc(C)c2)cc1OC 916153265 KGAABNVEFGEHKK-YRNVUSSQSA-N 465.933 5.579 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C[C@H]2CCCO2)c1 916204754 BAKLIXFQPQQCSV-DNQXCXABSA-N 473.598 5.288 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccccc3)C2=O)c1 916206211 MIKWOVHMCWAMQJ-DEOSSOPVSA-N 489.597 5.173 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916216972 AGGIGFUVKADSTI-SFHVURJKSA-N 464.374 5.148 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 916232534 DBXQMPFQLCDWMB-CQSZACIVSA-N 480.270 5.399 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c(F)c(F)c(F)c(F)c1F 916272891 NBXSIGUDNPDGGE-UHFFFAOYSA-N 469.822 5.665 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cs1 916367104 SFTMGNRKAUXPSI-UHFFFAOYSA-N 488.573 6.085 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995372 FHZUKRBLPALUTR-DENIHFKCSA-N 484.408 5.829 30 20 JKED CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995796 HYVRJCMUBMBVMX-RHSMWYFYSA-N 450.391 5.330 30 20 JKED COc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996561 LGHHXCLTJCGHRO-PXAZEXFGSA-N 463.411 6.483 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)c1ccsc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031212 QKCNEDSJVGTUKU-FOGJEEJESA-N 453.633 5.059 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1cccc(C#N)c1 917377797 ZWZOQHGGLRREQZ-RUZDIDTESA-N 452.583 5.469 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccc2COC(C)C)C1=O 917700568 JOEYSGAXEHPNSS-DEOSSOPVSA-N 475.614 5.033 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](CCc2ccccc2)c2ccccc2)cc1 918445393 GBLBJVMNBDFFTC-URLMMPGGSA-N 473.576 5.771 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 919666212 ITEPTLHHCFDLIC-GOSISDBHSA-N 485.392 6.255 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)cc1 920110009 JDNUVGRFHUTWMY-SFHVURJKSA-N 452.461 5.813 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)SCC(=O)Nc3ccc(C)cc3)n2)cc1 920138475 GZXYETQTUWTWLZ-OXQOHEQNSA-N 465.600 5.064 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Br)cc1Cl)c1nc(-c2c(F)cccc2F)cs1 920804644 XMQIYJQAUUVPHL-NSHDSACASA-N 483.721 5.759 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 920871294 WLJQHIIGCLDHTP-KXBFYZLASA-N 494.444 5.545 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)c1 921251682 AMBDPBMOZOCNIR-XLIONFOSSA-N 493.551 5.231 30 20 JKED COc1ccc(OCc2ccccn2)c(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)c1 921258275 CNKWTHHIHGDTLJ-UHFFFAOYSA-N 489.601 5.134 30 20 JKED Cc1c(O)nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc1-c1ccccc1 1643840787 WOGWXYNZBIAPLD-OAHLLOKOSA-N 450.589 5.283 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785807759 PJYUIYNGJWZMHT-HXUWFJFHSA-N 481.637 5.124 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ncc(Cl)cc3Cl)CCC2)cc1 1786389352 DXHPFTFQRANAFY-SFHVURJKSA-N 452.407 5.091 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)F)c4)cc3)CCC2)c1Cl 1787018881 YLHMPRSXIUIYLU-UHFFFAOYSA-N 480.902 5.606 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c[nH]nc45)cc3)CCC2)c1 1788455357 FNQXITAHTULEJT-GOSISDBHSA-N 463.541 5.251 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@@H]4C)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1789213088 WGMFKXSOSOWDGC-PMOQBDJRSA-N 481.637 5.122 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)c(Cl)c1 1789327719 HZTGISBMJPTHKK-UHFFFAOYSA-N 480.955 5.821 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)cc3F)CCC2)cc1 1789577088 SSDONOVEUBECIY-XODNFHPESA-N 471.891 5.078 30 20 JKED Cc1c(Br)cc(F)cc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1 1790147055 ADJJAFIZLRRUSI-UHFFFAOYSA-N 495.352 5.158 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnccn5)c4)CCC3)cc2)cc1 1790289809 UDBOTGZODKVNML-UHFFFAOYSA-N 473.536 5.077 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc(OC(F)(F)F)c3)cc2)CCC1 1790725499 WNONOVBHELSXBT-UHFFFAOYSA-N 496.283 5.009 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)c(Cl)c1 1790837003 JWVFTNIOEJOMDZ-UHFFFAOYSA-N 499.958 5.158 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(Cl)n3)CCC2)cc1)C(F)(F)F 1791302835 YYPNNRAHQMMUKP-UHFFFAOYSA-N 458.267 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791441204 UKEKTHUAMZRMPP-ZJSXRUAMSA-N 495.664 5.536 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cn4cnc5ccccc54)cc3)CCC2)c(Cl)c1 1791511564 XOSCQMVVVQLASB-UHFFFAOYSA-N 483.959 5.009 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)CCC2)cc1 1791583893 DHIZBOBELKSHDN-OVCLIPMQSA-N 455.558 5.127 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CCCOc3cccc(Br)c3)CCC2)cc1 1791588693 RXZLJQVEBMCRQQ-UHFFFAOYSA-N 471.395 5.318 30 20 JKED COc1ccc(F)cc1C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1792105983 FNMAGQHFSOQOHN-UHFFFAOYSA-N 471.532 5.086 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@]4(F)Cl)CCC3)cc2)cc1C#N 1792168820 HKGYVJJKLINGOM-NBGIEHNGSA-N 469.944 5.018 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C3=CCCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204036 GUYVNWMVHMEGPW-JOCHJYFZSA-N 467.610 5.090 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)C[C@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204913 LOZLSUNWTXLADS-JJHGTGHCSA-N 469.626 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccnn2C)c(Cl)s1 1796516619 YEBOSTUASIUVRC-BJWYYQGGSA-N 475.058 5.046 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2)c1ccc(Cl)cc1 1801554248 AHSMBMMURVPHRV-ABNLYDASSA-N 478.036 5.659 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[C@@H]1c1cccnc1 1802490402 CIPPPCGGNGILLP-IYXIZZNPSA-N 481.587 5.162 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2F)[C@@H]1c1cccnc1 1802491109 GCIKSOSSGXHREA-LATFHXTDSA-N 467.560 5.071 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1802500259 LTHNXYCIIFBPFY-QPPBQGQZSA-N 482.694 5.583 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c(F)c2)[C@H]1c1cccnc1 1803496618 LOGRLGUDDJVVAB-JYFHCDHNSA-N 465.613 5.160 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3c[nH]c4cc(OC)ccc34)CC2)C1 1804862108 HNDFBEXJBAVKPT-DHZHZOJOSA-N 477.649 5.413 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3ccc(C(C)=O)cc3)C2)CC1 1805671262 DCTCWJGNRXWOCO-UHFFFAOYSA-N 482.665 5.272 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)C2)CC1 1805894551 RADKSUOPHOMBLI-VWNXMTODSA-N 497.680 5.004 30 20 JKED O=C(Cc1ccccc1)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1806518482 SQXDUHZAVACZEJ-BHYZAODMSA-N 499.614 5.044 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)c1 1809623460 LOXWFLLEFANDRO-FLZMRKKFSA-N 488.607 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810929541 AZHNYOGMWLYGQX-XMSQKQJNSA-N 491.529 5.552 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c1Cl 1811426175 RUVRPVIOOHYSPW-HFZDXXHNSA-N 484.987 5.117 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H]1c1cccnc1 1811579441 VJKMLENEDCBTNL-IUGBQFMMSA-N 493.611 5.157 30 20 JKED Cc1c(Cl)ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1Cl 1813768600 PWULWLUQXUDBDE-GBXCKJPGSA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)[nH]n1 1814443102 MCKBYWFLWNRCGJ-HTAPYJJXSA-N 454.537 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)C3)n[nH]1 1817943360 ICORQARAFSTPMV-KNQAVFIVSA-N 462.594 5.198 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818867439 CAICDCUHPHTFGZ-QZNHQXDQSA-N 473.964 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1819309403 UIZNVADDLJEFRP-QUCCMNQESA-N 493.589 5.607 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820080392 VKYURPLTYDQKCH-VWLOTQADSA-N 479.584 5.439 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)[nH]n2)c1 1820487156 OLRNESNTRRWQNE-HXUWFJFHSA-N 485.441 5.059 30 20 JKED CO[C@@](C)(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](S)C(C)C)[nH]n1)c1cccc2ccccc12 1820702408 FTDCOBALAWIXBQ-WFIHMLKPSA-N 494.661 5.071 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c(Cl)c1 1821125277 BHHZYNLNUILWSY-FQEVSTJZSA-N 486.334 5.347 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)c1 1823210352 AGDYLYZQYPFXNI-PRMYQBBISA-N 459.575 5.118 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)[nH]n2)c1 1823211715 GVNYLEVEYYRELX-LIRRHRJNSA-N 485.466 5.268 30 20 JKED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1ccccc1 1823495258 DMWOZJIMERTPLW-OPAMFIHVSA-N 461.953 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc(Cl)c2)CC1 1823751239 NCAKRSSNBZTXIU-QHCPKHFHSA-N 461.046 5.331 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1F 1823905786 QEHGZIKAVMHGQO-CPJSRVTESA-N 461.581 5.308 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824839713 NULJOCASNBOJJA-LCJITAHGSA-N 492.582 5.321 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c1 1825036169 OZOVGTQDFJCVGF-JOCHJYFZSA-N 470.038 5.058 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)o1 1825878601 ZISZIOHKMKWPJV-DEOSSOPVSA-N 456.703 5.181 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1827365576 ZMSKNUXMHMLSET-MHZLTWQESA-N 487.644 5.184 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc3c2CCCO3)CC1 1827383958 GXZCTCLGEXFWJU-QHCPKHFHSA-N 456.652 5.075 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533286 CDPQHCDTDWRYMP-HSZRJFAPSA-N 482.422 5.139 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827854328 FERPBTYHMJOYFW-FQEVSTJZSA-N 468.560 5.833 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1828821373 LVCAYCBQCYGDIC-BJKOFHAPSA-N 489.701 5.070 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1828888697 FUOSUDXQGNDRES-SVBPBHIXSA-N 474.645 5.160 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1)c1ccccc1 1829030964 VRVCZUWTIFZRNZ-VPUSJEBWSA-N 460.618 5.327 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1829066664 PVFUZJVYHRXCMN-RUZDIDTESA-N 465.638 5.402 30 20 JKED Cc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829687706 FGYIAYWNORHBFE-FQEVSTJZSA-N 456.011 5.129 30 20 JKED C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1829692545 JCSUJCDOYZNCHK-CPJSRVTESA-N 478.036 5.639 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1830417122 RPGLOUNBIJTNCG-VGOFRKELSA-N 474.001 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1830677984 BOKBACPNJOCPQW-RSXGOPAZSA-N 460.622 5.078 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)CC1 1830804752 VWQJKKPEZGTETA-LJQANCHMSA-N 458.908 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)CC1 1831241129 DZSJLTVBDZIYCQ-DNQXCXABSA-N 473.057 5.279 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1)C(F)(F)F 1831453446 WJFIYHNQUSVAOW-GOSISDBHSA-N 480.424 5.196 30 20 JKED COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1C 1832538159 ZOURUVLUZNAFCJ-VWLOTQADSA-N 482.741 5.288 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832629595 URDUYTBIWNAJQP-CCLHPLFOSA-N 474.649 5.125 30 20 JKED COc1cc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1832634105 RTZFULMRFWZVGX-AVRWGWEMSA-N 495.570 5.148 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1C#N 1832704726 QYZCXRUQSDBXRW-RUZDIDTESA-N 495.570 5.171 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832711529 ZWIDEAVZUQIRMA-HRAATJIYSA-N 454.508 5.290 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)CC1 1832827772 BNFYODQJOZINOR-QHCPKHFHSA-N 473.455 5.219 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CC1 1835816952 MDSYFSZBHXSSKI-UHFFFAOYSA-N 498.470 5.310 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3OC(C)(C)CC4)CC2)CC1 1836696424 OSKWRTYJVRWBHP-UHFFFAOYSA-N 494.676 5.171 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)CC1 1838424090 KLNWKTLUIBMPBZ-UHFFFAOYSA-N 498.561 5.449 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)C2)c(Cl)c1 1844635836 DWICXNNNXDDJLC-UHFFFAOYSA-N 484.943 5.084 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(C)c2)c1C 10764018 ORMHVHQRFNBNER-UHFFFAOYSA-O 488.992 5.248 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836249 HNNKBHRTXMKQAJ-UHFFFAOYSA-O 475.377 5.802 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(Cl)cc1Cl 10837030 NQKHOMWKXWKMDY-UHFFFAOYSA-O 470.445 6.383 30 20 JKED N#CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1 11196754 HVLBPMJXJIKSIW-UHFFFAOYSA-N 459.962 5.237 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nc2scc(-c3cccs3)c2c1=O 11382566 SCHPERKBNYOAQI-HNNXBMFYSA-N 467.641 5.800 30 20 JKED COc1cccc(-c2nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)c1 11462307 VCCHYKOATFTVDJ-GYCJOSAFSA-N 484.025 5.131 30 20 JKED Cc1c(C#N)c(NC(=O)CCN(C)Cc2ccc(C(F)(F)F)cc2)n(Cc2ccco2)c1C 12816306 QZUWYSJTBZHDOV-UHFFFAOYSA-N 458.484 5.097 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 16832610 WEUSJVDRJQTXAT-CQSZACIVSA-N 491.842 5.344 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cccnc1 18404816 YHCROABNEYETEJ-UHFFFAOYSA-N 457.584 5.448 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n1 18802203 ICQNHPKIVGKYTD-SFHVURJKSA-N 459.552 5.275 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1[C@H]1COc2ccccc2O1 21668075 JIHLARBVJRFDDG-HTAPYJJXSA-N 464.591 5.219 30 20 JKED C[C@@H]1CN(Cc2csc(/N=C(\O)c3ccc(-c4nc5ccccc5s4)s3)n2)C[C@@H](C)O1 22300490 HFQHWPYCHLQQKC-ZIAGYGMSSA-N 470.645 5.727 30 20 JKED CCCn1c(=O)c2ccccc2n2c(SCc3ccc(-c4ccccc4C#N)cc3)nnc12 22413214 LDVIWWYVPUVRIJ-UHFFFAOYSA-N 451.555 5.285 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCc3cc(OC)ccc32)c1 24874876 YNCOXNKYIKYQJE-UHFFFAOYSA-N 497.016 5.323 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 32786528 UHFGAHMQEUGHAL-MRXNPFEDSA-N 456.999 5.145 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Br)cc1 59265918 CUYUHHSNFCKVSA-UHFFFAOYSA-N 473.396 5.023 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 71944580 FXERNYIWLOFDDY-UHFFFAOYSA-N 453.542 5.458 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 303000987 MWXXLIADNDVVEI-OAQYLSRUSA-N 457.505 5.289 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 303005677 PHNJYYDCMMWWCO-UHFFFAOYSA-N 465.582 5.113 30 20 JKED CCC[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Cl)c(Cl)c1 409611832 KCSGUDGHYYKFHN-QFIPXVFZSA-N 473.404 5.767 30 20 JKED Cc1nc(NC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)sc1SCC#N 409818860 KIPWXWFYIWOLKY-KRWDZBQOSA-N 492.395 5.728 30 20 JKED Cc1nc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)sc1SCC#N 410417238 JKBIKSAYLWEGPW-UHFFFAOYSA-N 487.404 5.334 30 20 JKED C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 480376869 JVCMDKOJJJMVEY-JOCHJYFZSA-N 470.573 5.105 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Oc3ccncc3)cc2)c1 497433915 DVHLWYZQOZQIEU-UHFFFAOYSA-N 480.549 5.729 30 20 JKED COc1cc(Br)ccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 499781912 OTLXEEKFZTYNRA-UHFFFAOYSA-N 451.320 5.355 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1 499818252 GYZNRGLUOQJSKC-DEOSSOPVSA-N 477.358 5.113 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1 500281206 XMDWYPKQESQCPS-XMMPIXPASA-N 477.358 5.113 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)c2)cc1 501431198 AOIPKSSBLNFIAM-UHFFFAOYSA-N 496.588 5.558 30 20 JKED CC[C@@H](C)n1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1 504313817 KDYCRBJMFLELHB-NHCUHLMSSA-N 461.635 5.960 30 20 JKED Cc1sc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C#N)c1C 506728601 XRWWHMLLAKDZAL-UHFFFAOYSA-N 457.515 5.179 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507873516 KEWRCXOVYMGLOH-UHFFFAOYSA-N 455.539 6.500 30 20 JKED C=CCn1c(SC[C@@H](O)COc2cccc(C(C)=O)c2)nc2scc(-c3cccs3)c2c1=O 508507195 ZNPPTLQOKZYSJV-KRWDZBQOSA-N 498.651 5.107 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 509547419 YNTXBWALQAJZFW-CQSZACIVSA-N 453.486 5.121 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCNC(=O)c2ccccc2Cl)cc1Cl 510025433 DUDJWNZEPXOEFU-HXUWFJFHSA-N 467.356 5.200 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(NC(=O)c4ccsc4)CC3)cc2Cl)cc1 510620712 YTAMIZAPVULLOL-UHFFFAOYSA-N 480.977 5.492 30 20 JKED COc1cc2c(cc1OC)CCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 510649284 XSAZSQZGRQVTPA-HSZRJFAPSA-N 475.976 5.645 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 511777495 XBYBQJMHFJZPOA-UHFFFAOYSA-N 457.549 5.412 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSCC(=O)N(C)C1CCCCC1 512305937 XPQQNJIDWIKDDC-UHFFFAOYSA-N 467.610 5.063 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(Cl)s4)n3)n2)cc1 512503767 LSOFKMIRDXRERW-ZDUSSCGKSA-N 452.973 6.010 30 20 JKED Cc1nc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)sc1SCC#N 514577621 KNYOCTMJRJFXGB-SFHVURJKSA-N 471.007 5.221 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1sc2c(c1C#N)CCCCC2 515600229 WYJYJMBTFHLDRE-UHFFFAOYSA-N 488.009 6.556 30 20 JKED CCN(C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)[C@@H](C)c1ccc(C#N)cc1 515703621 XCFMQVJTEKMSTN-HNNXBMFYSA-N 469.969 6.196 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3sccc3C#N)c3sc(N4CCCCC4)nc3n2)cc1 516071939 VVMJJBSOHVSDPG-UHFFFAOYSA-N 459.600 5.843 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)n1 516345572 WRYNTQJEGJARKE-IBGZPJMESA-N 488.590 6.117 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517275987 SPONXQNUYOBHNN-XMMPIXPASA-N 470.960 5.244 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-])c1ccccn1 517891445 MENBOQLVNGXXSB-QAPCUYQASA-N 470.514 5.171 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 518901705 SFRNSLAZTINVFG-UHFFFAOYSA-N 484.387 5.098 30 20 JKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 520426040 SIYPQHPAHJKVDB-KXBFYZLASA-N 467.903 5.432 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)cc(OC)c1OC 521540039 FXBNHDLPLWAXAM-QGZVFWFLSA-N 496.995 5.351 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(COCc3ccccc3)cc2)c1 523254718 NZNWJFOTNCQAPX-UHFFFAOYSA-N 452.510 5.377 30 20 JKED N#Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)sc2c1CCCCC2 602776867 TZTRZRDCIJSXET-UHFFFAOYSA-N 475.957 5.595 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1Br 603765775 YNGSYCLAGMBSQG-UHFFFAOYSA-N 452.308 5.088 30 20 JKED C=CCOc1ccccc1CN(C(=O)CSCc1c(C)noc1C)c1ccc2c(c1)OCCO2 603820307 AFFHQUXGPFLKKE-UHFFFAOYSA-N 480.586 5.094 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2)c1 603831293 PFSXMKKEENAPFO-HXUWFJFHSA-N 465.513 5.363 30 20 JKED CCn1ncc2c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc(-c3ccccc3)nc21 604241604 BNMRIERHDUUDJL-UHFFFAOYSA-N 460.497 5.429 30 20 JKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 608871400 YIPWCBHBPYOIMJ-UHFFFAOYSA-N 488.516 5.831 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccccc4C(F)(F)F)cc3)CC2)nc1 608995626 DJHLTRIOUGTDRZ-UHFFFAOYSA-N 481.478 5.555 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(OCc4cccnc4)c3)cc2F)c1 609104340 DJERFLAHLMANJE-UHFFFAOYSA-N 453.473 5.503 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 609369827 MCSQZMMKSVUEEL-OAHLLOKOSA-N 495.029 5.811 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)c1 613290802 MAKHUNZPELWLRZ-XMMPIXPASA-N 458.521 5.645 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nc2ccccc2n1C(F)F 613404894 VYAPQIFEVPESDE-MRXNPFEDSA-N 486.272 5.856 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c(OC)c1 618608721 KHTKDLHDDSYHOC-QHCPKHFHSA-N 474.520 5.595 30 20 JKED CCOc1ccc(Oc2c(C=Nn3c(S)nc4ccccc4c3=O)c(C)nn2-c2ccccc2)cc1 725860157 XHGMYFGNJJIBAD-UHFFFAOYSA-N 497.580 5.253 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3c(F)cccc3F)n2)n(-c2ccccc2)c1C 726217955 HNTWLAZDNJEABJ-UHFFFAOYSA-N 492.507 5.163 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2c(F)cccc2F)n1 726319341 GSDSCJHOSWVUFK-GFCCVEGCSA-N 465.453 5.364 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1 726414571 CBMZVFAGGDSXFJ-QFIPXVFZSA-N 463.559 5.227 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(C)=O)C=C2)[n+]2ccc(C(C)(C)C)cc2)c1 726572699 JVORGLYOLMSEBD-UHFFFAOYSA-O 470.618 5.347 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@H](C)c2cccs2)[n+]2ccccc2)C=C1 726580264 WSWVOLAFOMAYFP-QGZVFWFLSA-O 452.625 5.004 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2)cc1 728766567 CELDKDJVZNECKQ-VWLOTQADSA-N 473.488 6.104 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)cc1C 728884926 NBPYZCYVNUEDAI-UHFFFAOYSA-N 470.554 5.614 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1C 729142206 HIVQEUHPYUHMKO-HXUWFJFHSA-N 499.061 5.252 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 729566437 RUCXNJAOFYLOLG-IBGZPJMESA-N 480.565 5.128 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 729633839 GRJSDZLYMKMDJM-JOCHJYFZSA-N 496.995 5.651 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O 730459002 DTHTXNITFUSYCU-IBGZPJMESA-N 461.946 5.001 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 730688026 RQDHAKQDMJDBCR-ACJLOTCBSA-N 456.424 5.230 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]cc1-c1ccc(Cl)s1 731073689 GLWWWGVWKYBPEP-ZDUSSCGKSA-N 459.980 5.586 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 731114129 GMVODOBTQBZKKE-LPHOPBHVSA-N 458.425 5.940 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)cc2F)c1 731307973 KFDSIVSICFOQGR-QFIPXVFZSA-N 481.524 5.139 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C)cc1 731310797 QDGUUPNSHYASLE-DEOSSOPVSA-N 489.597 5.008 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 731404646 AYTWYXDDEXDXFG-LJQANCHMSA-N 464.635 5.105 30 20 JKED N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)cc1Cl 743449096 IKDRVDYNDGWSNE-LBPRGKRZSA-N 460.144 5.807 30 20 JKED COc1ccc(Cl)cc1-n1c(-c2cccc(Cl)c2)nn(CN(C)C[C@H](C)C#N)c1=S 746707172 YDRGZWFHOBOCOH-CQSZACIVSA-N 462.406 5.435 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2nccs2)c1 747601384 FPLODUUCNVXYSN-OAQYLSRUSA-N 478.643 5.217 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)cc1C 747603340 TXHKMOYJQVGTQH-FQEVSTJZSA-N 482.606 5.102 30 20 JKED FC(F)COc1cnc(-c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)cn1 904736089 ZHHUGWSITBVJQB-UHFFFAOYSA-N 472.267 5.127 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1Cl 914552084 SOSFWWUZDFIOGH-VGOFRKELSA-N 479.005 5.134 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)nc(O)c2c1C 915101965 LJSDQGUJZNJZMD-ZBFHGGJFSA-N 480.640 5.635 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc2ccccc12 916217026 BSXPLEFUBZBHAH-DEOSSOPVSA-N 489.597 5.039 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2C(F)(F)F)NC1=O)Nc1cc(Cl)cc(Cl)c1 916232984 ZVIDQFLFKULDQA-AWEZNQCLSA-N 462.280 5.260 30 20 JKED N#C[C@@H](C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)c1ccccc1 916622600 BSDDJKIASVXSMP-GOSISDBHSA-N 463.921 5.147 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1 916903187 PKYKBRZPTZRNBW-OAHLLOKOSA-N 479.360 5.315 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916972366 NMWDDADJTZQZSV-SFTDATJTSA-N 463.628 5.155 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917045438 ZWHNBNDFSIUGRF-SFHVURJKSA-N 459.962 5.572 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 917504344 AVOPLSMJDQTSDH-QFIPXVFZSA-N 494.551 5.175 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CCc3ccccc3)C2=O)c1 917704303 YDMSHVSYWZUSMI-RUZDIDTESA-N 482.609 5.378 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccc2)C1=O 917704521 KYALJHYXESSDGX-RUZDIDTESA-N 498.608 5.508 30 20 JKED COc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1NC(=O)c1ccc(Cl)cc1F 917786723 DFTPYQZREWAHAJ-UHFFFAOYSA-N 492.894 5.556 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918544034 BBEFXLXVDWTYNY-GFMRDNFCSA-N 483.059 5.049 30 20 JKED COc1ccc(/C=C2\N=C(SCCOc3ccccc3C#N)N(c3cccc(OC)c3)C2=O)cc1 918715815 YGVGNEVXGNCKDF-JLPGSUDCSA-N 485.565 5.131 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)n1 919382775 WMUOOVURVLYDJR-HXUWFJFHSA-N 488.590 5.792 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2[nH]c3ccc(F)cc3c2Cl)n(Cc2ccc(F)cc2)c1C 919423386 ALQUXCPCPHPTSF-UHFFFAOYSA-N 496.901 5.233 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)CCOc4ccccc4)C3)n2)cc1 919665565 CBGIOQDVAXJJOW-FYYLOGMGSA-N 473.598 5.003 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3cc(Br)ccc3OC)n2)cc1 920143382 PPCNHHVEGQXMSB-GOSISDBHSA-N 499.386 5.429 30 20 JKED N#C[C@H](C(=O)COc1ccc(Cl)cc1C1CCCCC1)c1nc(-c2ccncc2)cs1 920268743 PSHDTCSHKWSLMK-HXUWFJFHSA-N 451.979 6.161 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cccc(OCc2ccccc2C#N)c1 920636335 VYSDIIXOPPEBGN-FQEVSTJZSA-N 456.542 5.753 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 921035493 UZQNIPOQYZHMIK-UHFFFAOYSA-N 453.523 5.941 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC(F)(F)F 921261446 PPMBCQWGBWQBPR-HYXAFXHYSA-N 460.748 5.002 30 20 JKED C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 1524021534 QWNVWQMUCXORGZ-MJBXVCDLSA-N 452.605 5.215 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3C)cc2)CCC1)c1ccccc1 1787332216 HCQCYMIYVWSBJK-XMMPIXPASA-N 455.558 5.236 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC=CCC4)CCC3)cc2)c(C(F)(F)F)n1 1788356352 HBSUJOHVUHAQID-MRXNPFEDSA-N 468.479 5.076 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(C)snc4s3)cc2)CCC1 1788417332 VIIBEXUOCIBMOV-AWEZNQCLSA-N 470.620 5.215 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)CCC1 1788525901 ZIMWEHCKZFERIL-UHFFFAOYSA-N 481.637 5.104 30 20 JKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(F)c(C#N)c5)CCC4)cc3)c2s1 1788944467 FVEDYORMDDRKSA-UHFFFAOYSA-N 498.583 5.606 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5[nH]ccc5s4)cc3)CCC2)cc1 1789104251 GEGCRYFDGXFCMK-UHFFFAOYSA-N 454.555 5.357 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)cc2)CCC1 1789529393 GTVLMZCZJGEVRU-QHAWAJNXSA-N 454.542 5.220 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)cc2)CCC1 1790353002 MPERKDKRELSJGM-VWLOTQADSA-N 477.674 5.094 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)Cc4[nH]nc5c(Cl)cccc45)cc3)CCC2)cc1 1790370041 NPLBPPQHQAZYIF-UHFFFAOYSA-N 497.986 5.007 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)COc3cccc4ccccc34)CCC2)cc1 1790563627 PHUVRUCJWQPACO-FQEVSTJZSA-N 473.573 5.154 30 20 JKED CC(C)(C)n1ncc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)c1Cl 1790765277 YIFPFNAUZVLQFV-UHFFFAOYSA-N 493.970 5.364 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)[S@](=O)c3ccccc3)cc2)CCC1 1791062116 UUFJMUAAYFIUIS-KGMZSHBCSA-N 464.631 5.085 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OC)c3Cl)CCC2)cc1 1791244460 UEXPMVCDNPBMKX-MRXNPFEDSA-N 456.970 5.317 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnn4c(-c5cccs5)ccnc34)CCC2)cc1 1791247636 BYEACLZKDRJYPA-SFHVURJKSA-N 485.613 5.418 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(OC)c(Br)c3)CCC2)cc1 1791588643 QPVWXZVNNBXEGD-UHFFFAOYSA-N 471.395 5.101 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cnc5[nH]ccc5c4)CCC3)cc2)c1 1792126840 MZGAXULDRNKRAU-HXUWFJFHSA-N 491.595 5.570 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ncccc45)cc3)CCC2)c1 1792292464 HLYKFFUMPIZGFV-HXUWFJFHSA-N 491.595 5.570 30 20 JKED C[C@@H](c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(C#N)cc2)cc1)C(F)(F)F 1792482911 WGDZZEDIFKPFNX-TZAMREQXSA-N 497.561 5.038 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)cc1 1792483900 ZANJEHLREHDYMP-REPLKXPHSA-N 490.818 5.403 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c(Cl)cc1F)C2 1798339898 GKBDHTWMBSGANH-QKPAOTATSA-N 483.809 5.262 30 20 JKED C/C=C(\C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C 1800175805 PYGDMNTYBPLVNX-QXIIAILDSA-N 477.690 5.235 30 20 JKED N#Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)cc1 1802388172 MICXFYCDDKJJBE-YZNIXAGQSA-N 488.591 5.059 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1803088695 FNSDPKGYEKYSHY-ZJSXRUAMSA-N 451.998 5.131 30 20 JKED N#CCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1806289991 MLDVIPSBUKMAPQ-LITSAYRRSA-N 474.649 5.365 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1810272522 OYANCAPDVONBBR-VAVYLYDRSA-N 497.715 5.606 30 20 JKED Cc1ccc(C)c(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810276092 DNQZYTQYHAKAFG-SQHAQQRYSA-N 475.709 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1810499354 CHSJWZIGFQFTOC-LADGPHEKSA-N 488.657 5.517 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)C2)CC1 1810731439 FORTWFPGTDXFNC-UHFFFAOYSA-N 454.014 5.168 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)cc1 1814379209 HZBOIIJLJBMELV-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)[nH]n2)C1 1814398596 NDDGUMMTXOGFKI-FQEVSTJZSA-N 472.511 5.119 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1814828407 KWBRUDXPAYCPHM-HSZRJFAPSA-N 477.996 5.686 30 20 JKED N#Cc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5ccoc5s4)sc3C2)c1Cl 1816691376 VQBYRFSJAQWTHH-ZDUSSCGKSA-N 482.974 5.015 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)[nH]n1 1818117541 XBEWUYANBAANDV-GFOMBABLSA-N 486.956 5.009 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818745332 OHPHHOOKJKBDLT-NRFANRHFSA-N 451.958 5.044 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2onc3ccccc23)[nH]n1)c1ccccc1 1819521168 YKRJTJVQAKOYCW-HYBUGGRVSA-N 481.556 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)[nH]n1 1819555962 MJIKGUFLOHAQOY-ZCYQVOJMSA-N 479.669 5.477 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)c1 1820231087 AKEPSJJQGDXTSR-JOCHJYFZSA-N 487.947 5.609 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)[nH]n2)c(Cl)c1 1821277168 LGBIVBXSAXUDMM-HXUWFJFHSA-N 468.344 5.208 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)n[nH]1 1821338855 BPEWUUVLICLPGM-IBGZPJMESA-N 477.392 5.223 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4nscc34)n[nH]2)c(Cl)c1 1821521201 MGIKQDWCSZHPSN-OAQYLSRUSA-N 490.976 5.164 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1821986721 WDYIHGPOWWWKMY-INIZCTEOSA-N 462.497 5.281 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H]4CCCc5c4[nH]c4ccc(Cl)cc54)sc3C2)C1 1822780532 ABUNKCRMEBMRMS-SJLPKXTDSA-N 495.048 5.276 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 1823751048 IRQXVXLIKMGWCF-JIMJEQGWSA-N 466.666 5.411 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)cc1 1823812629 MOBQCOGBUKOBRP-OAQYLSRUSA-N 477.655 5.310 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1823911520 AIQHKMPWBUEORA-VWLOTQADSA-N 481.999 5.135 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 1824142269 KQKARPPFHIRHJY-MHZLTWQESA-N 475.633 5.245 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1824538633 NAXWKANRBHPANS-UXHICEINSA-N 474.564 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1 1824930580 NHJBGQSIYKJZKL-KDYSTLNUSA-N 487.619 5.418 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3scnc3C3CC3)CC2)c1 1825649595 XMBPTKQFRXUWPM-MBSDFSHPSA-N 476.646 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)CC1 1825890675 MQDMEHCWPKRJNB-OAQYLSRUSA-N 465.560 5.326 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)cc12 1827413544 IGPPRKVIGQSTPF-OAQYLSRUSA-N 478.643 5.085 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)c21 1828278209 OHANQFWNMFCTES-SANMLTNESA-N 491.752 5.463 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)cc1 1828677723 YXOFWBKDYSVAJO-VWLOTQADSA-N 486.641 5.034 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc3cccnc3cc2F)CC1 1828827483 OBQQHJLKEOCOMI-IGKIAQTJSA-N 477.624 5.305 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2Cl)CC1)c1ccccc1 1829151033 MZTPGFJVHOENEK-BVAGGSTKSA-N 478.036 5.166 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)cc1 1830017586 ZWZLLLKSNMVDPS-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccc(Cl)cc1 1830715421 WBVZOPDSJWJFKL-IQGLISFBSA-N 481.999 5.388 30 20 JKED CC/C=C(\C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755630 LKXOKGGYZOOPDQ-PIMOAMBUSA-N 461.528 5.167 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)ccc2[nH]1 1831036267 UTSDARXMMWBQGN-AREMUKBSSA-N 489.019 5.549 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3cccc(Cl)c3)CC2)c1 1832630135 ZYFXZUANQFALME-FQRUVTKNSA-N 494.035 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)c1 1832632682 BAOVIPIXDRTQSH-HOYKHHGWSA-N 474.630 5.404 30 20 JKED O=C(/C=N/N1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699983 UAWKKEYHUMVIPY-SHUIIVGSSA-N 486.660 5.059 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1)c1ccccc1 1832890561 ARYPWDJJWKLETK-JPYJTQIMSA-N 498.549 5.009 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2sc3c(c2c1=O)CC[C@H](C)C3 8633270 FAHSDBMXEPDODA-ZDUSSCGKSA-N 493.576 5.518 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccccc2CC)c1C 10172710 JGYZMKISIJTQTN-UHFFFAOYSA-O 478.638 5.326 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 10179728 GYMNQPVAWQDNCD-UHFFFAOYSA-O 478.638 5.049 30 20 JKED C=CCn1c(SCC(=O)NCc2cccs2)nc2scc(-c3ccc(C)cc3)c2c1=O 11019417 ZPSVDUAHEBTROY-UHFFFAOYSA-N 467.641 5.089 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n1 12700787 XZKJJMYXXMARNE-HXUWFJFHSA-N 479.508 5.230 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccccc2)cs1 14723491 ZCIVNMPYWQIIGX-UHFFFAOYSA-N 468.991 5.825 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247950 VDOPNGXJPCKRRI-UHFFFAOYSA-O 490.392 5.306 30 20 JKED C=CCn1c(SCc2nc3c(C)cccc3c(=O)[nH]2)nc2scc(-c3ccccc3)c2c1=O 16220378 YNBVWWBOPCEZDG-UHFFFAOYSA-N 472.595 5.148 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nnc1-c1ccccc1 16656387 ISQJEZZXYKBRPE-UHFFFAOYSA-N 474.634 5.657 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2-c2cccc(Cl)c2)n(Cc2ccc(F)cc2)c1C 16686620 WRMMIWSXCVRGAZ-UHFFFAOYSA-N 494.983 5.129 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccc(Cl)cc1 18972590 MURMCFMDOMWMTJ-HNNXBMFYSA-N 452.967 5.500 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(Br)cc1 21134521 GTUOOBKZGCASNC-HNNXBMFYSA-N 485.407 5.216 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1[C@@H]1COc2ccccc2O1 21144283 FIUAFEIBHDGKRU-QHCPKHFHSA-N 492.645 5.954 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 22217400 MCVOSHHYGFBIJG-NSHDSACASA-N 485.799 6.350 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22729848 FJLSQFSXJCWDBO-UHFFFAOYSA-O 479.669 6.795 30 20 JKED O=C(/C(=C(/S)Nc1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1cc(F)ccc1F 22730573 MLMAWFUSGSXXPF-UHFFFAOYSA-O 457.953 5.835 30 20 JKED Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc2C)c(C)c1 25439326 BPHLVDVZZLMQSI-UHFFFAOYSA-N 475.614 5.775 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccccc2F)cc1 28779019 CKRNLOIBYRWCEO-UHFFFAOYSA-O 452.531 5.370 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 29150273 CAUNIMYNKNGIKH-UHFFFAOYSA-N 453.951 5.194 30 20 JKED C=CCn1c(SCc2ccc(OCc3nccn3C)cc2)nnc1-c1ccc(Cl)cc1 59264983 URDPWMQJGZYGOY-UHFFFAOYSA-N 451.983 5.389 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c1 108591398 PHJQRLGLIOAYQQ-UHFFFAOYSA-N 469.950 5.076 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)nc2ccccc21 115424226 AHEQSKOZHHZOHK-UHFFFAOYSA-N 459.575 5.275 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1nc2cc(Cl)ccc2s1 195664303 HHZWJKHQOSGGAD-OAHLLOKOSA-N 461.909 5.555 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccncc1 255930109 WYCZHWJOQKBTJP-UHFFFAOYSA-N 454.770 5.217 30 20 JKED N#C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc(OCc2ccccc2)cc1 303244309 LEYOYYOKRDPNJO-VMPREFPWSA-N 488.543 5.714 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 501135168 PQIHODWFVDWAAO-UHFFFAOYSA-N 482.584 5.358 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Cl)ccc3Br)c2)cc1 501484774 XNOBMYIRKCNVQR-UHFFFAOYSA-N 455.739 6.000 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)s2)c(C)c1 501703927 FVVZBCLTPRTKBG-UHFFFAOYSA-N 458.587 5.098 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OCc2cscn2)c(OC)c1 501771856 RHTIGRYDTCLFSX-UHFFFAOYSA-N 491.382 5.461 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509914762 UXMMBRCPFPERBA-MHZLTWQESA-N 485.584 5.553 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)s2)cc1 510246437 YOQWBRVLDZUMNV-UHFFFAOYSA-N 499.065 5.095 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cn3ccccc3=O)cc2)cc1Cl 510641558 SFFKILIHUJMFTE-RUZDIDTESA-N 482.971 5.527 30 20 JKED C[C@@H](Sc1nc2cc(Br)cnc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 513299722 YPEYVTPCKRIQKB-SNVBAGLBSA-N 476.425 5.042 30 20 JKED COc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1Cl 514642100 XTMBCMYCXVGMOI-UHFFFAOYSA-N 451.935 5.203 30 20 JKED COc1ccc(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1OC 515701113 MIRDDJPNZUWIRK-OAQYLSRUSA-N 464.949 5.593 30 20 JKED Cc1cccc(COc2ccc([C@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c1 517467243 RBPJVJIMWVQALS-RTWAWAEBSA-N 487.625 5.642 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)cc1 517522777 XVKSOTJKLSWJPX-AUUYWEPGSA-N 460.397 5.049 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3csc(C)n3)n2)cc1 517800668 AMTIESNFLKOQDR-HXUWFJFHSA-N 477.636 6.366 30 20 JKED CC(C)CC[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)cc1 518145543 ONORFGSZRBKYAU-NRFANRHFSA-N 476.964 5.631 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccs1 518158860 ROULFZZOEVOKQR-OAHLLOKOSA-N 469.554 5.615 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1S[C@H](C)CC#N 518256212 QFBWRXBDLLBXTO-MRXNPFEDSA-N 469.998 6.228 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(I)cc1 518668886 RRMGNTVJICUYTO-UHFFFAOYSA-N 476.261 5.568 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCc2cccc3cccnc23)c1 520126308 LTBUQRMMQLEZHZ-UHFFFAOYSA-N 492.000 5.200 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 520856831 TYBVFVINFKNOIU-AUUYWEPGSA-N 450.391 5.851 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3nc4cc(Cl)ccc4s3)s2)cc1 521283360 PFYAOBHGWCHNPQ-UHFFFAOYSA-N 473.008 5.287 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 521812374 RLCXWBOUEDROFF-GOEBONIOSA-N 454.596 6.535 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 522785612 KCLIAENEEUKSGG-UHFFFAOYSA-N 496.592 5.105 30 20 JKED Cc1cccc(COc2ccc([C@H](C)NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc2)c1 524097675 GSGJZIIBRMPRSB-NRFANRHFSA-N 476.598 5.143 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCc3sccc3C2)C(C)C)nnc1-c1ccc(F)cc1 554218499 IVHHEZGUBVENPF-FQEVSTJZSA-N 456.612 5.033 30 20 JKED C=CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1cc(Br)ccc1F 561170956 YHYGOPAQIYCHDQ-MRXNPFEDSA-N 476.415 5.609 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)c2)c1 603723463 KFKKWZLABAZYGF-HHHXNRCGSA-N 479.511 5.121 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1Cl 603766291 QGLJHEPAPIUCIR-QHCPKHFHSA-N 457.986 6.224 30 20 JKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 603846191 BLTZPKOQIPZKHF-MRXNPFEDSA-N 495.873 6.095 30 20 JKED CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 604205400 NRLNCVIQJCMRJW-IFXJQAMLSA-N 474.007 5.055 30 20 JKED CCOC(=O)c1sc(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 604394767 XMLYMDXIYACICK-ZDUSSCGKSA-N 490.006 5.674 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1C 604519664 MTIGBDAOTDBMTG-SQHAQQRYSA-N 456.590 5.321 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)c1 604541394 UVPVSDWWQHLQLW-CQLNOVPUSA-N 467.516 5.059 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Oc2ccccc2)cc1 608797433 NEVSIAXHTVVWAS-IBGZPJMESA-N 478.508 5.354 30 20 JKED CC[C@@H](c1ccccc1)c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)o1 609018914 SGNJORZEOSBSCE-WBVHZDCISA-N 466.632 5.790 30 20 JKED CN(C)[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccsc1 609080346 VSOYZPAJNDWBQT-NRFANRHFSA-N 454.983 5.277 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 609148594 RGDWSAADGVUYTF-KRWDZBQOSA-N 460.559 5.062 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc(-c2cccnc2)no1 609207065 GJTFKBQEFOANSU-JOCHJYFZSA-N 488.935 5.968 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377213 RFHOVNBHKUYIHV-IRXDYDNUSA-N 462.662 5.241 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cccs2)cc1 609400595 LNIXEYXBMIUSSK-HHJKRLRDSA-N 491.682 6.358 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 613907314 FWSNJSBSRZLCIC-INIZCTEOSA-N 491.444 5.662 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 620304581 PNGBKWPAIOURDU-AWEZNQCLSA-N 465.506 5.892 30 20 JKED Cc1nc(C(F)(F)F)ccc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518093 VXGJBWMGSNTACJ-OAHLLOKOSA-N 486.334 5.660 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccccc1OC 639429466 NUZVHHZWSVZTLM-JOCHJYFZSA-N 464.591 5.098 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nn(-c2ccccc2C(F)(F)F)cc1O 642228014 VLJQAHSEHHQYHS-URLYPYJESA-N 489.338 5.236 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1CC(C)C 660586927 KPKVPEMBEMCHRM-QGZVFWFLSA-N 458.628 5.497 30 20 JKED C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nc2sc(C)c(C)c2c1=O 670184812 HLQPNXCKFLRYLE-UHFFFAOYSA-N 478.521 5.221 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S/C1=N/CCc1ccccn1 726109614 OQZSQLMIFGWOSG-BLWNTKICSA-N 499.851 5.323 30 20 JKED C[C@H](OC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 726221962 XGNSKHLREQAZKI-SVTVQYSDSA-N 485.540 5.228 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 726399752 OBYVARBTRHVFDR-DNVCBOLYSA-N 493.601 5.387 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)Cc2ccco2)c1 726411845 PAERAFSUEOSIBG-MWTRTKDXSA-N 493.535 5.131 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/[C@@H](C)c1cccs1 726419419 FDXWLPMZAKDDDG-HOSTVDGGSA-N 493.654 5.485 30 20 JKED CCOc1ccc(OCC)c(N/C(S)=C(C(/O)=C2/N=C(C)C(C(C)=O)=C2C)\[n+]2ccccc2)c1 726962935 IXJWWYOOLOUYHN-UHFFFAOYSA-O 480.610 5.089 30 20 JKED Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1I 727988092 KJJAEEXMKDCQIC-HXUWFJFHSA-N 452.295 5.507 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 727999121 MLRKMDWGDARZJT-RUZDIDTESA-N 473.960 5.265 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2ccccc2c1 728424882 IOCRCRSZLBWYBZ-UUOWRZLLSA-N 486.597 5.097 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)C(=O)N1CCCCC#N 728780353 RKNSBKRTZBZQIE-QFIPXVFZSA-N 499.036 5.565 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N([C@@H](c2ccccc2)C2CCC2)C1=O 729145929 NMMGOIWGSHUWKE-UPVQGACJSA-N 465.619 5.083 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2scnc2C)cc1 729146571 TZONVPFXVQDPBR-NRFANRHFSA-N 494.642 5.319 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2c(C(C)C)cccc2C(C)C)cc1 729670329 OTIKQMNGACNWFW-UHFFFAOYSA-O 493.649 6.214 30 20 JKED N#CCn1c(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc2ccccc21 729767434 IONHMJIDLZOSFZ-UHFFFAOYSA-N 459.889 5.406 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C\C(=O)c1cccc(NS(C)(=O)=O)c1 729820004 JBKMCEPMQYRIBL-KTKRTIGZSA-N 483.899 5.121 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(C3CCC3)C2=O)c1 730460342 YPMFPWMFCJSEOJ-DEOSSOPVSA-N 489.597 5.370 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cocn1)c1cccs1 730730476 VUJDBWNPBLITQB-MXGHJUMWSA-N 490.610 5.479 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 731040502 WJYCPNMSVUXCTD-DLBZAZTESA-N 469.566 5.153 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 731061736 GXPBEFNZXBEGIL-KRWDZBQOSA-N 492.984 5.761 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(C)c2)cc1F 731312312 MUWVGVVTIKTFSF-HSZRJFAPSA-N 493.560 5.009 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@@H](C)c2cccs2)c1 731312965 UTGZEECRWHKWMK-UDWFINDDSA-N 495.626 5.052 30 20 JKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1NC(=O)OC(C)(C)C 746663451 JWJIQVXRIACAIN-UHFFFAOYSA-N 452.555 5.604 30 20 JKED C=CCc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc(OC)c1O 747040204 CYHCUFFMVVGNKC-UHFFFAOYSA-N 465.962 5.412 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Br)C3)cn2)cc1 750690098 VZVYVKLFIVCBLQ-OAQYLSRUSA-N 479.334 5.113 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCC(F)(F)F 750922880 UOGPHVUFLBNABF-UHFFFAOYSA-N 473.476 5.265 30 20 JKED COc1ccc(Br)cc1-c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1 775084509 QBAKBNLRDACNTQ-TWGQIWQCSA-N 455.333 5.209 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1Cl 802544650 ZJLPZQCVCHGDIG-UHFFFAOYSA-N 475.932 5.004 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)c4cncs4)c3C#N)C(C)(C)C2)o1 809230524 ZSVCBHRYUZEWQV-FNORWQNLSA-N 479.583 5.551 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 818269919 PFCLEQCPLZMYIF-UHFFFAOYSA-N 465.560 5.282 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N([C@H](C)c2ccccn2)C1=O 837299294 FXUWTTDRNGGVIK-DVECYGJZSA-N 488.613 5.429 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 837713136 VHZNMKMWLGFGSS-QVKFZJNVSA-N 482.968 5.596 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1 837742283 SQJQEPQRASUTCA-QVKFZJNVSA-N 466.513 5.081 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2c(Cl)cccc2Cl)no1 904309612 FLNZUWSBROHSSR-UHFFFAOYSA-N 469.122 5.655 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)c3)C2=O)c(OC)c1 912771771 HXXNJJLXRXLJQN-DEOSSOPVSA-N 489.597 5.173 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1csc(Br)c1 914559879 WFWOEZIODUZUNX-UHFFFAOYSA-N 464.797 5.793 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)Cc2ccco2)c1 914690716 CNGUVHBCOJDZED-ZHRRBRCNSA-N 481.549 5.019 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CC2CCC2)C1=O)Nc1ccccc1 915116748 NVTNHZJMDJEWOC-IBGZPJMESA-N 459.518 5.048 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCCc2ncc(-c3ccccc3)o2)n(C2CCCC2)c1C 915508488 TYGZORPPXMRCTA-UHFFFAOYSA-N 474.561 5.251 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 915592828 VGMAJANVYACSSJ-MRXNPFEDSA-N 497.523 5.079 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 915750858 PDDSLGXLHCAJKP-QFIPXVFZSA-N 492.560 5.467 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916057901 YXDIEMJIGMXDPO-AZGAKELHSA-N 457.961 5.470 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccco2)C1=O 916207550 YXQGLBUWYVFHBV-QHCPKHFHSA-N 477.586 5.537 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cccc2ccccc12 916915714 OCDZSBGWNATRJU-AOYPEHQESA-N 461.521 5.049 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916926133 SMCDSKFAAYTLGY-SFHVURJKSA-N 474.904 5.146 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)n1 916944421 DIRNQMLRJQUHJJ-SFHVURJKSA-N 476.410 6.012 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCc3cn4ccccc4n3)n2)cc1 916974623 OFIUQJSXPIFZGX-JOCHJYFZSA-N 464.550 5.835 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042090 BNWPAXMYJINBKL-HNNXBMFYSA-N 487.532 5.427 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)Cc2cccc(C(F)(F)F)c2)c1=S 917473428 AAYRUKXEPRSZCV-UHFFFAOYSA-N 466.504 5.426 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ncc(C(F)(F)F)cc2Cl)cs1 917532188 MZMNVWOBDUGWFC-UHFFFAOYSA-N 453.877 5.649 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 917714815 ZELZSLZAWBVPKZ-FQEVSTJZSA-N 475.536 5.952 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)ccc1Cl 918671251 WEEXIXWORDTBJM-UHFFFAOYSA-N 494.956 5.080 30 20 JKED FC(F)(F)c1ccc(-c2nc(C=Nn3c(S)nnc3-c3cccc(Cl)c3)cs2)cc1 918710496 REQCNKCOFQTPQD-UHFFFAOYSA-N 465.913 5.912 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)o1 919513186 DIXHXPMFUWHDLL-UHFFFAOYSA-N 468.465 5.318 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)cc1 919665584 CRSJSXHIGNXJPF-XMMPIXPASA-N 494.551 5.080 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)s3)n2)cc1Cl 920112082 VQILLCOMJZEISI-JTQLQIEISA-N 452.344 5.148 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H]1CCc2cc(F)ccc21 920170354 YQNATXNVENGGLL-DNQXCXABSA-N 484.556 5.345 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3ccccc3c2)no1 920359145 HRXYLCNLMSXAPL-HSZRJFAPSA-N 470.554 5.297 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 920983663 MGZKHITULFKUFK-QHCPKHFHSA-N 495.645 5.224 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Cl)ccn34)CCC2)cc1 1786103904 PHNYCXNLFRIIHB-UHFFFAOYSA-N 462.981 5.504 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccc(Cl)cc5nn4)cc3)CCC2)cc1 1788494064 BPQPZUKBBRLODT-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)cc2)CCC1 1789287908 CEOBUUMVCRUPAK-UHFFFAOYSA-N 488.535 5.020 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cc6sccc6[nH]5)cc4)CCC3)c2c1 1789371247 SQUYXZSKTHZFNE-UHFFFAOYSA-N 480.553 5.039 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1789417215 DHKZAISFPIWAEV-SFHVURJKSA-N 491.638 5.313 30 20 JKED Cc1noc(C)c1CC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789507784 WAAONFGTBDJRBN-UHFFFAOYSA-N 465.670 5.019 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789880459 JQIBPGPYCNCIRF-UHFFFAOYSA-N 489.597 5.067 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCSC4)CCC3)cc2)ccc1Br 1790746598 HIZXMRGXDANJSA-KRWDZBQOSA-N 498.446 5.212 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4)CCC3)cc2)c(Cl)c1 1790767204 OAKDJCIDPUGYPS-UHFFFAOYSA-N 469.932 5.101 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3O)cc2)CCC1 1790807414 CVPUADOXTQMZHP-UHFFFAOYSA-N 469.541 5.023 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)CCC2)cc1)C(F)(F)F 1791302649 RRVPFILGYZXOMV-HSALFYBXSA-N 458.505 5.127 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Br)ccc1Cl)C2 1793054983 MMDWHSIGWUBRBI-ACDBMABISA-N 479.846 5.052 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccc(Cl)cc3)no2)c1Cl 1796490473 GGNCGARGKKYQCU-REPLKXPHSA-N 495.366 5.086 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C(F)(F)F 1796503207 ARKXWADVOOHMQF-BCDXTJNWSA-N 497.439 5.138 30 20 JKED O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1sc3ccccc3c1Cl)C2)c1cccs1 1796894604 WJOVNHHGLWZTQX-OUYFJKQZSA-N 485.030 5.307 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ccc(Cl)cc3c1)C2)c1ccccc1 1798556955 PIZBRVHKTOILCF-QYOOZWMWSA-N 486.015 5.337 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccccc2c1Br 1801097954 FJBQNQDGAJTVJF-KANFNMMFSA-N 455.396 5.066 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1802391213 CNNUHVMNBZHRQW-JVGXHWGJSA-N 486.660 5.054 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2cccc(C)c2)[C@H]1c1cccnc1 1803082777 YKUTXKSWVQFYAK-WNJJXGMVSA-N 494.639 5.540 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1803087319 ROOWMYXWWAMPJG-NFBKMPQASA-N 472.416 5.476 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1803088669 MTHVNRZOBWSBCH-NBGIEHNGSA-N 477.605 5.523 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)cc2)cc1 1803825111 VZQITPRAOWWBMR-OUOZDZGXSA-N 463.581 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2c[nH]c3ccc(C)cc23)[C@@H]1c1cccnc1 1804384345 OOHUZQFZZMQURS-AMGIVPHBSA-N 472.633 5.112 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCC(=O)OC 1804451924 QTSNJLACCGVZSK-QEIWAGNOSA-N 474.686 5.467 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)c3cc(Cl)ccc3F)C2)CC1)c1ccc(O)cc1 1805140317 YYIRSFLGWYIGAS-NRFANRHFSA-N 497.010 5.227 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)C1 1805452258 TZQPZWBOSJTEII-UHFFFAOYSA-N 454.014 5.435 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)C1 1806056964 HQXMXSMJCQESGA-JOCHJYFZSA-N 484.628 5.214 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1806089218 QYYYBEKERJIIFI-NZQKXSOJSA-N 476.646 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1807972496 ZIXNCOGZQQTPQL-KNKQGSTJSA-N 480.659 5.149 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808976560 QMHPXMOPXXMYFN-RPLLCQBOSA-N 453.586 5.323 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)C1)c1ccccc1 1809159747 OLDYTCIJPLOLDR-YZNSXSMUSA-N 492.685 5.548 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810271429 GDVKMLYUAWRWMT-DEHIZFPYSA-N 491.708 5.143 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1813226966 WSGIUVVHIGUJMJ-UHSQPCAPSA-N 482.628 5.002 30 20 JKED CC(C)[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1813863145 GXHACTBZTANZSZ-URENDEMCSA-N 494.639 5.468 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1813864354 ZUDNVXUVIREYDE-ZPZUNKDASA-N 458.606 5.021 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@](C)(OC)c2cccc3ccccc23)n[nH]1 1814408693 WIWGWYDVRYPTKR-GJZUVCINSA-N 496.558 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C(F)(F)F)cn2)n[nH]1 1815905495 DNSWRMOPVZNGFZ-HXUWFJFHSA-N 491.558 5.441 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC#N)n[nH]1)c1ccc(OCc2ccccc2)cc1 1816747756 AWTLDXHOOLIXRY-LBNVMWSVSA-N 499.615 5.334 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1)C(F)(F)F 1817744081 ILBOQYWUUZWIHX-FQEVSTJZSA-N 483.494 5.205 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817745438 KXCZWMFCDQXNMZ-CVDCTZTESA-N 457.578 5.298 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818115820 KUTXZJCIRYBGDO-SGWGQVFISA-N 494.642 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)[nH]n1 1819309613 YNYBXXVNCKYGMP-IFMALSPDSA-N 459.550 5.139 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc3c2CCCO3)[nH]n1 1819385026 HDHMQNJKPBIDQD-NRFANRHFSA-N 498.725 5.153 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCOc2ccccc2)[nH]n1)c1ccccc1 1819518447 QFDVHNLJQPPELD-AZGAKELHSA-N 484.600 5.068 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1)c1ccccc1 1819518775 DJSWNJHZHKHVEG-SHQCIBLASA-N 491.595 5.461 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2cccc(Cl)c2)[nH]n1 1819552254 GYBCIMZKJBNROW-HXUWFJFHSA-N 458.990 5.127 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)[nH]n1 1819556111 UFSHASLNVJIWJC-IBGZPJMESA-N 471.533 5.064 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)[nH]n1 1819557034 UMNOUYWMDUVTPV-DGSRBQDKSA-N 468.573 5.255 30 20 JKED CC(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1820591065 QVZXKOXDPFRQDU-IWGBCORSSA-N 476.602 5.340 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1820653671 FICWFNFXFMAZLA-HXUWFJFHSA-N 498.370 5.216 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3sccc3Cl)[nH]n2)c(Cl)c1 1821277389 YPRJEXLDPMUOEZ-KRWDZBQOSA-N 474.373 5.269 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821280618 WFLXATCRIWOFJL-LJQANCHMSA-N 498.370 5.216 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)c1 1821507578 JBCGVXZTYHASMB-AOMKIAJQSA-N 499.596 5.577 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1821987089 FWYBOZQBVKNXIY-QGZVFWFLSA-N 462.884 5.327 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1821987733 PYQDHZUGKUMHBH-HNNXBMFYSA-N 475.298 5.373 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2Br)n[nH]1 1822515128 XHSOLVBCGIQILM-DOJUMQAQSA-N 493.352 5.089 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823216130 CABXUIKUUQMNSH-QQNOGGPISA-N 497.599 5.455 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cccc1C(F)(F)F 1823290664 ZACAGJKADMJADC-NRFANRHFSA-N 481.478 5.228 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)[nH]n2)cc1C#N 1823292409 JINNOBWCUXGFRC-UQNNOOFXSA-N 475.593 5.121 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 1823750554 NPSNDECQBLVQED-FQEVSTJZSA-N 465.560 5.326 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1824141180 JRUXFTUSUAVRDQ-JOCHJYFZSA-N 469.029 5.170 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1824502196 ZCZVGILIOPDYFS-DZWGLGNASA-N 458.687 5.195 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1824936660 KILOYKNXUUYMHG-QDPGVEIFSA-N 471.645 5.407 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1 1824962971 UFQYYDQPSATNKL-XSBJJCPUSA-N 497.524 5.063 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)ccn1 1825431443 BZEWESUAVZALBG-CZQLGGELSA-N 493.673 5.113 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1)NC(=O)OC(C)(C)C 1826263786 IPIDQSDKMRRTFW-DNQXCXABSA-N 489.701 5.046 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1826692222 HKRVSKAOZCHLGY-VWLOTQADSA-N 468.601 5.143 30 20 JKED CCc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc(C)n1 1827927485 ACESXRBOZACJPO-HRFSGMKKSA-N 472.633 5.127 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc4c3CCCC4)CC2)c1 1828569437 QCNUOJBOPRTAMM-VWLOTQADSA-N 491.657 5.054 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cc(OC)cc2C)CC1 1828827020 GUZAPIPYQCIULJ-DQEYMECFSA-N 452.639 5.314 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1828827800 VKAJONGGAHQDLI-IZLXSDGUSA-N 471.645 5.750 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829698092 CSAMMDDCGIPTEO-HSZRJFAPSA-N 473.013 5.302 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829784192 DFYODCPEKBIGQE-QHCPKHFHSA-N 485.550 5.332 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Br)c2F)CC1 1830503044 GCIGPGFVJYWKFN-OAQYLSRUSA-N 477.418 5.015 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830631685 MEMKLFVYDBMTSY-AREMUKBSSA-N 477.725 5.037 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c1 1830987022 HDELSLCXPHCIFN-SANMLTNESA-N 469.585 5.171 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1)C(F)(F)F 1831451352 RSYZXFWJBKNIPI-FQEVSTJZSA-N 495.929 5.347 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1831847177 VEKFVPZIRAWYOS-XMMPIXPASA-N 476.583 5.451 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1831849343 UQCVYWQAQXQUPZ-RUZDIDTESA-N 492.660 5.677 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c(Cl)cc2F)CC1 1831852547 RNCPSGYPNWRKEC-NRFANRHFSA-N 497.836 5.278 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1831949323 UASRUSQPSJNNJR-NFBKMPQASA-N 491.047 5.418 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3onc4ccccc34)CC2)c1 1832633208 GRQPHNXZMLHOOZ-DFBJGRDBSA-N 470.573 5.002 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)CC1 1833079155 QYOIVUOIIIXHHW-UHFFFAOYSA-N 483.697 5.042 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4c(Cl)cccc4s3)C2)c1 1843805205 AYLOPYZCPUOYDY-INIZCTEOSA-N 463.990 5.313 30 20 JKED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)C2)cc(C(F)(F)F)c1 1843939448 YSCVGJOMQNYFTI-STZQEDGTSA-N 473.539 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)CCCCCCCCNC(=O)OC(C)(C)C)C2 1844355094 DOHZEXVGFIFWAJ-UHFFFAOYSA-N 491.717 5.438 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(=O)Nc1ccccc1C#N 8641545 PKSCJPLQELFYTN-MRXNPFEDSA-N 459.962 5.579 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nc2scc(-c3ccc(C)cc3)c2c1=O 8649296 YSDVVOIXISXKAY-INIZCTEOSA-N 453.633 5.159 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc(Br)cc1 9145711 OPUYXUZDAXIQCC-UHFFFAOYSA-N 495.349 5.226 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccccc2CC)cc1 10174225 OXMWNXFYKPECEZ-UHFFFAOYSA-O 458.434 6.457 30 20 JKED CC[C@@H]1CCc2sc(-c3nnc(S[C@@H](C)C(=O)Nc4ccccc4C#N)n3C)cc2C1 10830153 BWAJDCJJZDOLHY-LSDHHAIUSA-N 451.621 5.049 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 14872137 KDNWVWXVISDUND-UHFFFAOYSA-O 452.043 6.538 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730787 QPHVTGZAQFEPCT-UHFFFAOYSA-O 479.669 6.417 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)s2)cc1OC 68734852 XESKFUKYVPIIEL-UHFFFAOYSA-N 499.592 6.033 30 20 JKED C=CCn1c(SCc2c(C)nn(-c3ccccc3)c2Cl)nnc1[C@H]1COc2ccccc2O1 115215608 BYECGAYSOFALNF-OAQYLSRUSA-N 479.993 5.416 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(Br)cc1 195633859 KXSFCHUAUFHHMO-DEOSSOPVSA-N 492.373 5.628 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(COc3ccccc3Cl)n2C)C(C)(C)c2ccccc21 207303084 XZWPKTPFKOJQAP-FYJGNVAPSA-N 469.010 5.020 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1c(-c2ccccc2)nc2ccccn12 301635851 PDBXHNNZEKQSQF-UHFFFAOYSA-N 471.561 5.789 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 303234323 YUPWGRCKBCPOLQ-UHFFFAOYSA-N 457.509 5.465 30 20 JKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483462936 HOKSZBIEVKBLMN-IBGZPJMESA-N 453.542 5.783 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c3cnn(C(C)C)c3n2)c(C)o1 487385959 GFCUDFZWORUNJA-UHFFFAOYSA-N 496.596 6.060 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2Cl)cc1 491046475 DNWGAEDQABIABI-IBGZPJMESA-N 474.948 5.887 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c2C(=O)c2ccco2)C1 498364667 PYPJKUMYGPXLJX-INIZCTEOSA-N 496.610 5.027 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cn2)c1 500123771 LJBWNSKKMWLASI-UHFFFAOYSA-N 472.423 5.017 30 20 JKED C[C@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)c1nnc(-c2cccc(Cl)c2)o1 501590905 DQKBXBLGESZLRV-ZDUSSCGKSA-N 476.949 5.344 30 20 JKED C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 502578607 KCOHMXXSKWFRMS-UHFFFAOYSA-N 463.390 5.186 30 20 JKED C=CCN(C(=O)Cc1ccc(CC(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 503156352 RJPVTBGYOHEAKK-UHFFFAOYSA-N 468.644 5.174 30 20 JKED Cc1c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nc2c1CCC2 503247305 KYTOHFVNNZNVQH-HNNXBMFYSA-N 462.600 5.184 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1Cl 503285071 RVXYOPQEOBWADN-RSXGOPAZSA-N 452.945 6.302 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 504709470 XTGJNOCKXNCAFR-UHFFFAOYSA-N 488.891 5.465 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 504797147 OKIOMRYUQMXGCC-UHFFFAOYSA-N 469.488 5.701 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)CC2)c(F)c1 504969295 ANFRZPVBLFCWRR-UHFFFAOYSA-N 470.479 5.121 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C)c2ccc(C#N)cc2)c(OC)c1 512781991 AZAGGXJLVZMNQQ-GOSISDBHSA-N 453.542 5.534 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2nc(-c3ccccc3)cs2)c1 514653306 LOAHGOZZBCVDEW-UHFFFAOYSA-N 470.579 5.665 30 20 JKED CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 515897438 MXMCTPFFNDKENM-JPYJTQIMSA-N 475.976 5.599 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 518177422 PGVIJXJVMAPPRZ-UHFFFAOYSA-N 483.977 5.100 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1cccc2ncccc12 518757376 AUDZGFSVIOEPPC-OAHLLOKOSA-N 472.480 5.016 30 20 JKED O=C(Nc1nc(C(F)(F)F)cs1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 518766063 PVYHKMDNQMJPOF-UHFFFAOYSA-N 468.297 5.296 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Oc3ncccn3)cc2C)nnc1-c1ccc(Cl)cc1 518942363 JYXYWWDXUPYFSX-UHFFFAOYSA-N 492.992 5.406 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)c2)cc1 521493921 UOOGAXDNDAAQHQ-UHFFFAOYSA-N 475.548 5.995 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc(COCc3ccco3)c2)cc1 522953348 MBXMBOJPAZSIOO-UHFFFAOYSA-N 483.524 5.991 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)Cn4cccc([N+](=O)[O-])c4=O)c3C#N)C(C)(C)C2)o1 523949581 IFRXSIOQPZFBTD-VQHVLOKHSA-N 490.541 5.008 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 557677155 QRIWXQPXKVWMTB-UHFFFAOYSA-N 452.514 5.325 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCc1ccccc1OC1CCCC1 565136435 TXPGYKKLRBCHBW-UHFFFAOYSA-N 483.568 5.022 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc2ccccc12 576964189 QUUNZIOKOIOIFI-FQEVSTJZSA-N 463.537 5.415 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 596385083 ARHVLBOTTGJHNI-HXUWFJFHSA-N 463.647 6.406 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)cn2)c1 603691799 DFRLSDNXICJHEO-UHFFFAOYSA-N 496.354 5.042 30 20 JKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1OCC(=O)N1CCCC1 603828881 AITNTZKBWUYBRL-DEOSSOPVSA-N 499.571 5.020 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)nn2-c2ccccc2)cc1 603972384 ZDMWQTKMUBHATG-UHFFFAOYSA-N 452.514 5.483 30 20 JKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604522821 BKNNQTUWJIGZNO-NAKRPHOHSA-N 469.585 5.963 30 20 JKED CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609078904 UGVLVAKAILRZOJ-UHFFFAOYSA-N 470.573 5.297 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609086419 GKKZFNGOZAVXBC-UHFFFAOYSA-N 467.978 5.148 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)c2)cc1 609176962 XZMKFTINLKOTJO-BVAGGSTKSA-N 473.529 5.019 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)cc1 609208301 QJLUCIGQLNLGHN-UHFFFAOYSA-N 484.556 5.128 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)CC2)c1 609212282 QDRCTUAHNFXJEF-AREMUKBSSA-N 461.512 5.373 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 609414198 STDGYGHEFSZYCC-QGZVFWFLSA-N 451.151 5.469 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1 613319626 JLCGRKGXNMWBRX-GOSISDBHSA-N 464.930 6.134 30 20 JKED C=CCN(C(=O)c1cc2ccccc2cc1OC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614252974 DVWWSMIDYNZBRN-UHFFFAOYSA-N 478.595 5.208 30 20 JKED O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1cccc(C#Cc2cccs2)c1 642544185 VFUZMQDYRZPSOC-UHFFFAOYSA-N 461.543 5.177 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726320498 YLYLBJQPAAOZKP-SFHVURJKSA-N 471.504 5.915 30 20 JKED COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(C#N)c(Cl)c2)C1=O 726628050 XGPVHILVFPSEIY-APSNUPSMSA-N 465.781 5.389 30 20 JKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)C1CCCCC1 727627937 QSUGDVPKDNFQHJ-DYVFJYSZSA-N 464.418 5.768 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc(-c2c(F)cccc2F)cs1 727632561 VJBOQAWNRHGQJX-HNNXBMFYSA-N 480.565 5.791 30 20 JKED CC(=O)N(c1nc(COC(=O)CSCc2ccc(C#N)cc2)cs1)c1cccc(C)c1C 728328334 SFARRIHTJYXSDY-UHFFFAOYSA-N 465.600 5.293 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)=C(/S)Nc1ccc(C(C)C)cc1 728556634 TZRDVDSBYUNXRC-UHFFFAOYSA-O 496.678 5.167 30 20 JKED CCOC(=O)C1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C/c2ccc(O[C@@H](C)C#N)cc2)C1 728696884 HBDXJVRUWROOFC-KLIGUJAGSA-N 484.552 5.278 30 20 JKED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1sc2cc(Br)ccc2c1Cl 729888326 JXIBKUUDVBYCJS-ZDUSSCGKSA-N 491.750 5.050 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 729891343 FEIANGZUARFNLM-MSOLQXFVSA-N 468.504 5.654 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cocn2)cc1 730715937 LULUHMNMELKATB-JOCHJYFZSA-N 480.565 5.317 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 730943915 NGSBWMPEIIGZFF-DFBJGRDBSA-N 480.593 5.956 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944079 QWVGEWLIWMXMCY-CVDCTZTESA-N 458.587 5.420 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc2c1ccc1ccccc12 731060990 OKCVRPDSIDKVBE-MRXNPFEDSA-N 458.539 6.084 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731307061 ZZUXFMAVFCIHLH-IBGZPJMESA-N 490.368 5.453 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c(C)c1 731308683 PLYKGAGLEAWCRF-OAQYLSRUSA-N 465.600 5.231 30 20 JKED CCOc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)c1 731310599 LICOCAJWQPNXFA-HSZRJFAPSA-N 493.560 5.091 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)s1 731310918 SLZIRHFHODUAJI-YCRPNKLZSA-N 483.590 5.623 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(C)C)c1 731313563 ZODFBZOXTJNSOQ-HSZRJFAPSA-N 492.601 5.281 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Br)c3)N(C3CC3)C2=O)c1 732785413 YCBILUJQHHCYAQ-IBGZPJMESA-N 472.408 5.189 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(Nc2ccc(C(C)C)cc2)sc1=S 746050598 SRSCSKHPQZAFOR-UHFFFAOYSA-N 453.637 5.519 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 747399288 QGJCMIHEGRALCE-UHFFFAOYSA-N 451.592 5.140 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2CC(F)(F)F)cc1 799220099 GCLZJOADRFOKKG-FQEVSTJZSA-N 493.551 5.560 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccs2)C1=O 837544537 MEUPYDMITAUHAV-JOCHJYFZSA-N 479.627 5.697 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2)cn1 837888213 QKTWVLKNEWGHNI-HXUWFJFHSA-N 498.967 5.043 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(NC(C)=O)c1 913117668 CORVXZGBQJCJTP-DEOSSOPVSA-N 488.613 5.559 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916155760 YYWYCMNMZSBWKB-LUAWRHEFSA-N 471.431 5.333 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)cc1C 916216232 SAQAGXBWNOSYJW-HSZRJFAPSA-N 494.567 5.180 30 20 JKED COc1cc(C=NN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)ccc1OCc1ccc(F)cc1 916283750 QPKVSJUWNUPBHN-UHFFFAOYSA-N 499.454 5.105 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1-c1ccccn1 916910796 UKZBVTCTCMCJGV-QFIPXVFZSA-N 450.498 5.243 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 916914515 MHEMQYCSKKYSLK-HXUWFJFHSA-N 477.586 5.440 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916921751 ATCKMYDSYKDDEH-OAHLLOKOSA-N 467.934 5.014 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 916926015 XWJUBJRNJHXREE-FQEVSTJZSA-N 480.362 5.217 30 20 JKED Cc1cc(CSc2ccccc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)on1 916975143 ALIQXAXHLXDZOF-IBGZPJMESA-N 465.987 6.542 30 20 JKED N#C[C@H](C(=O)/C=C/c1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995081 ASOLAHDLIBZBLG-HSBSLETESA-N 456.379 6.616 30 20 JKED N#C[C@@H](C(=O)CCS(=O)(=O)C1CCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997396 XVANMRKQLCMAGE-HNNXBMFYSA-N 457.404 5.041 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc(C)s2)cc1OC 917042393 BCKIEYMYGDZTIJ-UITAMQMPSA-N 471.962 5.641 30 20 JKED N#C[C@@H](C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1 917043620 LBCQYVWKZINEEB-LBPRGKRZSA-N 468.844 5.555 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(CC(C)C)cc2)cc1 917612089 GFFJWRACZQGXAY-UHFFFAOYSA-O 456.635 6.320 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)cc1C 917660556 WVPOVZXSCQHHEP-AWRGLXIESA-N 494.636 5.030 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O)Nc1ccccc1C(F)(F)F 917675705 XCKPFLAFJXPADZ-LJQANCHMSA-N 489.544 5.927 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)cc1 917680392 CCPPYCDHZZCELW-HSZRJFAPSA-N 494.567 5.391 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccsc2)C1=O 917681919 RTXOJKRIHUCNIB-FQEVSTJZSA-N 486.018 5.571 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc(F)cc1 917702773 JKUAFFIDBFYYOQ-QFIPXVFZSA-N 494.498 5.136 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C(C)C)c2)n1 917712099 DJZFCORORHDSHX-QHCPKHFHSA-N 491.592 5.208 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 917728205 NYGHGTGAHDXJDX-UHFFFAOYSA-N 483.977 5.100 30 20 JKED N#Cc1c(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)sc2c1-c1ccccc1CC2 917774043 HPFQIBUJBWCBIC-UHFFFAOYSA-N 474.563 5.205 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2cccc(C)c2C)ccc1Cl 917830180 QLHCWVPLUZVURE-UHFFFAOYSA-N 469.006 5.615 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)N(c1nccs1)C1CCCCC1 919515397 SYHDCFFNPYLOAH-KRWDZBQOSA-N 479.558 5.098 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)cc1 920355785 MYQUPPOBIYCGGS-QHCPKHFHSA-N 492.601 5.077 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 920670733 IAMOOQVLMXFJFT-ZDUSSCGKSA-N 490.368 5.324 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)COCC(F)(F)F 921254408 WABGFZOVSBRSBR-BEFAXECRSA-N 497.514 5.062 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\COc3c(F)cccc3C2=O)cc1OC 921266117 JCDKLPLXRJOBNY-MHWRWJLKSA-N 497.906 5.173 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CCO2)C1 1778877003 MDDAWLSRTDOILF-UTKOEOAASA-N 485.068 5.212 30 20 JKED O=C(C#CC1CC1)Nc1ccc(C2(NC(=O)c3ccc4c(-c5nccs5)noc4c3)CCC2)cc1 1786304699 RFRZPWLOAPSWDN-UHFFFAOYSA-N 482.565 5.112 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4OCCc5ccccc54)cc3)CCC2)cc1 1786314620 WZQWTLHZTADDRQ-AREMUKBSSA-N 465.553 5.010 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)cc2)CCC1 1786589459 IFYVJSGVCLURJS-ZRCGQRJVSA-N 483.653 5.226 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)CCC2)cc1 1786679203 OBQAFOQFWOZWGJ-UHFFFAOYSA-N 488.535 5.020 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)cc2)CCC1 1787030710 QEYQPNJRCKIHFZ-FQEVSTJZSA-N 472.589 5.539 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)cc2)CCC1 1787110075 CHLQYPYKKCLKKL-AWEZNQCLSA-N 488.535 5.162 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3cccnc3)cc2)CCC1)c1ccccc1 1788033164 GZSPQJUINNVHKJ-AMGIVPHBSA-N 480.612 5.213 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)cc2)CCC1 1788685177 WEANCJFEZZBEFD-UHFFFAOYSA-N 480.515 5.044 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)cc2)CCC1 1789191507 KXHZCRCZKIDPDZ-CWCMICEWSA-N 461.606 5.439 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4c(O)cccc34)CCC2)cc1 1789458367 YAIQMQPRJLRWEE-OAQYLSRUSA-N 455.558 5.457 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CSCc3[nH]cnc3C)cc2)CCC1 1789465681 OYWDCCLHJCXBKR-UHFFFAOYSA-N 454.640 5.078 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1 1789508205 XOIPOWQIUUOYGL-UHFFFAOYSA-N 457.046 5.732 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1 1790266220 UCJWFRKJZHODRO-UHFFFAOYSA-N 459.933 5.038 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Sc3ccccc3)CCC2)cc1 1790563623 PAPDAZQNDBYGGZ-RBUKOAKNSA-N 453.608 5.102 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)cc2)CCC1 1790591326 QLEXQQLNQYHIJM-VWLOTQADSA-N 459.496 5.546 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn(Cc5ccccc5)c4)CCC3)cc2)cc1 1790706830 XNRLUNYNSVWJMM-UHFFFAOYSA-N 489.579 5.059 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790948099 ZHKRLFTWZPLTME-IBGZPJMESA-N 481.552 5.214 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CCOc3ccc(NC(=O)OC(C)(C)C)cc3)cc2)CCC1 1791112651 MEIUUBPMEAEMQB-UHFFFAOYSA-N 493.604 5.513 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1791730247 UVJNELDNMOOSSU-UHFFFAOYSA-N 457.574 5.287 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Cc4ccccn4)cc3)CCC2)cc1C#N 1791765524 CHJQWRVGZJGUCO-NRFANRHFSA-N 496.611 5.367 30 20 JKED COc1ccc(F)cc1CC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126826 MRDCMZADIHNUSE-IBGZPJMESA-N 485.559 5.452 30 20 JKED Cc1ncc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)s1 1792168877 JWIRCSQEMVMQBW-UHFFFAOYSA-N 488.613 5.101 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1cccc(Br)c1 1793474842 ZQAOYBYUXDTUDD-KOUNCHBCSA-N 489.454 5.015 30 20 JKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(c2ccnc3ccc(F)cc23)CC1 1799884581 ZOBRKTFVHOHZHO-ZSXFQPRASA-N 489.635 5.480 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(Br)cc1F 1801589050 WAEVELORZBECDC-ACDBMABISA-N 479.434 5.151 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803608242 OZZKVQLDFGBIGT-IGABQKFOSA-N 488.097 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C4(C(F)(F)F)N=N4)cc2)C3)c1 1803684416 JXTSUPXDKXQJTR-ZHHJKBAOSA-N 495.505 5.060 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1804179417 PPMHFILXRKLFLT-OUTSHDOLSA-N 487.669 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@](C)(OC)c3cccc4ccccc34)C2)CC1 1804801538 UIVLGKNKNBYDNC-RNAHPLFWSA-N 488.672 5.701 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)[C@H](S)C(C)C)CC2)C1)c1ccc(Cl)cc1 1805636010 SRXNJRNSZLVMFU-FCHUYYIVSA-N 465.103 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1807732308 GUUXDCJPGJDHCK-FDDCHVKYSA-N 497.064 5.657 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc3cc[nH]c23)[C@H]1c1cccnc1)c1ccccc1 1809448504 VNGAVDRRIWFKKC-UWPQIUOOSA-N 490.607 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1810500404 OZVABENUNCFOKM-RDPSFJRHSA-N 479.024 5.528 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1 1811999232 YBAKHWDJIWTWNL-HYBUGGRVSA-N 493.394 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)cc2Cl)[C@@H]1c1cccnc1 1812983498 IFDZISMGHGPVFP-CTCXMXBXSA-N 482.024 5.152 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)[C@H]1c1cccnc1 1813058686 RSAOGLNISFIIPD-NVQXNPDNSA-N 490.003 5.210 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1813837661 IQWUCUJLWNMDDW-HUVFLSCGSA-N 451.998 5.131 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)[nH]n1 1814444099 UAQBJCNJAQIVAX-ICSRJNTNSA-N 489.661 5.088 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)c1 1814739033 MHVWSYCSYREVLG-MHZLTWQESA-N 491.595 5.302 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1815653715 KZEVXJYICLFABK-SFHVURJKSA-N 483.560 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)[nH]n1 1819306978 KWBMEZDIVYLKGM-NRJQMVOHSA-N 452.521 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccccc4)[nH]n3)n[nH]2)c1 1820278876 XBAWUJVGXMRHSS-IQGLISFBSA-N 493.571 5.047 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1821157303 GEHLMTFTJJLPLI-AREMUKBSSA-N 492.583 5.309 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)n[nH]2)C1 1821523377 QNYDRHJNQSYDCT-JOCHJYFZSA-N 469.545 5.423 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3[nH]c4ccc(Br)cc4c3C)n[nH]2)C1 1821611957 OPEVLQMVGKMTIM-FQEVSTJZSA-N 496.409 5.234 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](c3ccccc3)N(C)Cc3ccccc3)n[nH]2)C1 1821755541 CYEKUXITVQHHAD-IXCJQBJRSA-N 497.643 5.241 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3cccc(Br)c23)[nH]n1 1821918817 PLLVVGSRMCVACS-MGPUTAFESA-N 498.425 5.101 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccnn3C)c(Cl)s2)[nH]n1 1821920193 HMNHKYVDFQXWHA-KBXCAEBGSA-N 487.029 5.043 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1821986592 SNMJEUQJXUUTBE-GOSISDBHSA-N 495.452 5.427 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1822392713 YVDULIAGRHMNTQ-VWLOTQADSA-N 479.584 5.439 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1822396604 WXQTVYIROZFGPQ-FQVRHNBASA-N 455.002 5.605 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1823888395 LKWCOCSJDAHWKC-OAQYLSRUSA-N 467.997 5.383 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1F 1823920667 MIJGWKUVTBCRCA-XMMPIXPASA-N 486.704 5.119 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)CC1 1824424396 RZRDKPMBPKNXIN-IZZNHLLZSA-N 466.666 5.303 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)CC1 1825000980 WDXPBFZHHXEDSB-ZCYQVOJMSA-N 473.057 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccsc3)CC2)c1 1825304542 VDPFXFCDYCWZPU-LEQOFBOASA-N 461.631 5.322 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)CC2 1826427148 OAEQNYQGFYPLOO-KRWDZBQOSA-N 481.021 5.073 30 20 JKED O=C(/C=C/c1cc2ccccc2o1)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826524519 GHFVFJXVQYIBIX-XNWPQPEVSA-N 466.581 5.117 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)CC1 1826683503 JIWKWXGJFRAXDI-XUZZJYLKSA-N 493.051 5.165 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)c1 1826779963 ALLWWNFSJVMZJI-QOEIGGFQSA-N 496.655 5.170 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1826947460 NHSWHROIUCVAHT-WNCULLNHSA-N 479.709 5.663 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C4(C#N)CC4)CC3)c2c1 1827299930 YPMFQGHUOBRYHA-HSZRJFAPSA-N 491.632 5.177 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828513429 DXIFWRWFUAUKFV-DEOSSOPVSA-N 453.602 5.533 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1828656654 YYLFLTXVCRHNKV-HSZRJFAPSA-N 498.465 5.357 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c1 1828668479 DTEPRVWGWYQVRL-RUZDIDTESA-N 486.641 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828828793 SELRYWHQBZFAEO-VWNXMTODSA-N 464.606 5.449 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685736 ORNWTXMPBJRPDQ-XMMPIXPASA-N 481.040 5.023 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1Cl 1829689857 AECRLBWXTJENEY-LJQANCHMSA-N 492.929 5.106 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc(C)c1O 1829692986 RODNCHHDBDBEOR-QHCPKHFHSA-N 480.008 5.081 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1829936122 CIWRNGKRCUFDEI-RUZDIDTESA-N 497.561 5.443 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)ccc1F 1830360579 KYTNKOJRDUGRLC-OAQYLSRUSA-N 495.645 5.450 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)cc3Cl)CC2)c1 1830717419 MBMPZRGFKAKHOE-QLUGYHCRSA-N 495.982 5.003 30 20 JKED CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1830717736 NDSARVQCOVTTPM-ZEQKJWHPSA-N 461.581 5.124 30 20 JKED COc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830755727 LUMKZENUBOZGIS-DEOSSOPVSA-N 499.533 5.133 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccc(C)c4[nH]3)CC2)c1 1830769019 FTMKHWRIVQNYTI-AREMUKBSSA-N 468.601 5.204 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)CC2)cc1 1831781047 AGIUMNPCLVPPOM-MHZLTWQESA-N 469.629 5.108 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Sc2ccccn2)CC1 1832163860 ODXRTEWMUYZOOI-IFMALSPDSA-N 457.684 5.174 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1832633704 MTXDQHBCTWSHNE-DFBJGRDBSA-N 497.561 5.880 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719853 MXJCBRZRQZMSRB-YWZLYKJASA-N 487.855 5.471 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)CC2)c1Cl 1832981076 SOJKVBSQRQPRSF-NBGIEHNGSA-N 475.967 5.191 30 20 JKED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)C2)c1 1844724397 JYQCLEYXIQRBEI-UHFFFAOYSA-N 484.522 5.084 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179748 ZCIKCKMGLZSNPU-UHFFFAOYSA-O 492.665 5.655 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 10756282 UREPNDFZJKOKNH-UHFFFAOYSA-O 475.996 6.408 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cccc(Br)c2)c1 15247676 RSSQYZKRFPYTIB-UHFFFAOYSA-O 454.413 5.713 30 20 JKED C=CCNC(=O)[C@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 16059882 IYHVATDXXGJVJJ-INIZCTEOSA-N 481.672 5.011 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2scc(-c3cccs3)c2c1=O 20076402 PSNNGJKDHBABLI-AWEZNQCLSA-N 478.624 6.276 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2/C(O)=N/c2nc(CN3CCOCC3)cs2)c(C)c1 21128379 QHYZCMWYMMXJKL-UHFFFAOYSA-N 473.602 5.081 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc2sc(-c3ccccc3)cc2c1=O 22118560 BBSKECKPYHCDBV-KRWDZBQOSA-N 478.643 5.134 30 20 JKED COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(C(C)(C)C#N)cc3)[C@@H]2c2ccccc2OC)cc1 25841144 UFTWBVFEVLABNN-LSYYVWMOSA-N 497.595 5.628 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2)c1C 28793710 FCZBEBGBWNKITN-UHFFFAOYSA-O 461.394 5.479 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 32617955 LSYSUKRCRUWQFW-UHFFFAOYSA-N 467.476 5.158 30 20 JKED O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 69643787 NSDIJAXTGXWWGA-UHFFFAOYSA-N 484.371 6.297 30 20 JKED CCOC(=O)c1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc([N+](=O)[O-])c1 71907208 KNPOXQJPGGAWLV-OAQYLSRUSA-N 463.877 5.333 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 72074631 UKDOVHVYBSRZFI-MRXNPFEDSA-N 480.362 5.869 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cccnc1Sc1ccc(Br)cc1 108954366 ZBLVUGFTZUYTCX-UHFFFAOYSA-N 454.349 5.518 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCCSCc1ccccc1C#N 195646867 KWCCNAHOYOUQDS-INIZCTEOSA-N 472.035 5.538 30 20 JKED COCCCn1cc(C(=O)c2cc(F)ccc2OCc2ccc(Cl)cc2Cl)cc(C#N)c1=O 255934397 MACHRQUJIKMPNT-UHFFFAOYSA-N 489.330 5.012 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(Br)o2)cc1 303105160 JGFQWLYNZXFSQT-UHFFFAOYSA-N 456.296 5.379 30 20 JKED COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2ccccc2C#N)cc(OC)c1OC 409716917 CXFQDJDGNWTNGK-RGEXLXHISA-N 491.547 5.871 30 20 JKED N#Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OCC(F)(F)F 481831478 PAZCEQRKQNWDLT-UHFFFAOYSA-N 453.445 5.775 30 20 JKED CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 481897426 DOIHDYNQKXUXPM-UHFFFAOYSA-N 482.565 5.405 30 20 JKED N#Cc1ccc(SCC(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)cc1 483471794 RFKKNCFYOOBQLM-UHFFFAOYSA-N 483.468 5.615 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccc(Cl)cc1 486534629 MJDUAYMTIURGMC-MRXNPFEDSA-N 469.010 5.743 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSCc1cc(-c2cccs2)on1 488806510 OIKWDUPMVLLQHB-UHFFFAOYSA-N 477.586 6.189 30 20 JKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 503594373 NAHBWPNFBBQIJK-JOCHJYFZSA-N 460.965 5.681 30 20 JKED CC[C@H](C)n1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1ccccc1 504287258 AZVJRFXCKLXGLF-KRWDZBQOSA-N 453.999 5.608 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 505691968 NCDNDTOOJUSRFZ-DFBJGRDBSA-N 483.568 5.297 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c3cnn(C(C)C)c3n2)c(C)o1 509606350 BYKBOAHKTHOBOC-UHFFFAOYSA-N 457.534 5.800 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 509962061 VYRPAMACZXDASA-KRWDZBQOSA-N 490.073 5.424 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 511029521 NEAVXVBZWMLNAV-QFIPXVFZSA-N 458.389 6.177 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 515653225 IIINOWYNWIHTSE-UHFFFAOYSA-N 467.594 6.253 30 20 JKED CN(Cc1nccn1CC(F)(F)F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 517905874 DYNPITJEPJZOMW-UHFFFAOYSA-N 477.874 5.213 30 20 JKED Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)ccc1F 518245625 YQYJSJKLSLHGHR-KRWDZBQOSA-N 483.590 5.582 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(C3CC3)nc21 518516598 MTJLCOOTEVPERC-LJQANCHMSA-N 452.543 5.375 30 20 JKED N#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)c1cccc(Cl)c1Cl 518709435 XFDGZUHWAMWSID-LJQANCHMSA-N 496.322 5.067 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccc(Br)cc1 518873047 MBXRFFMNVJCBPS-OAHLLOKOSA-N 499.340 5.835 30 20 JKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2)C1 519511715 YBLLEXNUFVNJKN-CUNXSJBXSA-N 460.622 5.393 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c(C)c1 520601432 RKIPKBDIZMIPTO-UHFFFAOYSA-N 453.542 6.094 30 20 JKED CC[C@H](C(=O)N1CCC(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1)c1ccccc1 520965013 OVWWBWHKSZQWPF-LJAQVGFWSA-N 467.613 5.412 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N 521797970 XAVMURAFIYDTBU-IAGOWNOFSA-N 462.662 5.384 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(-c3ccncc3)ccc2C)nnc1-c1ccc(Cl)cc1 522395841 YCYOLIDBPAHVEJ-UHFFFAOYSA-N 476.005 5.886 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCc4c(ccc(Cl)c4Cl)C3)c2)c1 523613522 RRGVPYRJWOGKNO-UHFFFAOYSA-N 465.340 5.708 30 20 JKED CN(CCc1cccc2ccccc12)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523960455 QKBKBWAQRXCFDV-AREMUKBSSA-N 481.983 5.788 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(Cc4cccnc4)C3)cc2Cl)c1 524119894 OLNZXPVNYKAYHB-QFIPXVFZSA-N 460.965 5.036 30 20 JKED CCOc1cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 585813453 FPBOMBJEGUNGBR-STQMWFEESA-N 467.372 6.026 30 20 JKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1 589519846 DQKFLLPPXMWLJE-UHFFFAOYSA-N 473.558 5.064 30 20 JKED COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 589831295 ZYWXEVZHESTNGW-SFHVURJKSA-N 490.313 5.341 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1ccc(Cl)cc1 603507253 DIFYGKZROSKGEI-UHFFFAOYSA-N 493.017 5.510 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)s2)cc1 603566855 QGAUWDCUTYGBEQ-HXUWFJFHSA-N 485.396 5.156 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 603742997 XJPDJSIDOXFJKB-UHFFFAOYSA-N 454.505 5.260 30 20 JKED CN(CCOc1ccccc1Cl)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604164189 LPPCFYRLNPIMGV-HXUWFJFHSA-N 482.367 5.125 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)s2)cc1 608934281 WBNHFBPMWVTROY-XWGVYQGASA-N 470.598 5.018 30 20 JKED CC(=O)N[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)c1c(F)cccc1F 608935866 ILTWHXIPCNKSOA-QHCPKHFHSA-N 465.475 5.085 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 609079539 CBURBAHHUBPNDE-XMMPIXPASA-N 471.948 5.435 30 20 JKED CN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080626 QGOSUCRRPYAJCD-UHFFFAOYSA-N 463.921 5.226 30 20 JKED COc1ccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 609098872 SRZJKRZRLKYDOJ-HSZRJFAPSA-N 492.938 5.219 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cc2)c1 609429668 XOUBYPBMKYIDRR-UHFFFAOYSA-N 469.522 5.404 30 20 JKED COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1ccccc1Cl 609430629 RJFRVDNWQOFYKC-KRWDZBQOSA-N 466.990 6.574 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 609437656 JFCVFWZPJBQJRL-KGLIPLIRSA-N 450.391 5.546 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 613319319 CBCIVJVDXQAYJX-OAQYLSRUSA-N 457.942 6.206 30 20 JKED N#C[C@H](C(=O)c1cccc(Nc2ncccn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613345971 AWKCGYJLMGIBPU-QGZVFWFLSA-N 466.353 6.141 30 20 JKED C=CCn1c(SCc2csc(-c3ncccn3)n2)nc2scc(-c3cccs3)c2c1=O 613827797 WXNONMLUBPAZPA-UHFFFAOYSA-N 481.653 5.578 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccc(Cl)cc1 617896493 SUHZVOHLNQENJW-HOTGVXAUSA-N 466.994 5.889 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(N2CCCC2)n1-c1ccccc1Cl 622913158 MJUXGTVLTOYONC-KRWDZBQOSA-N 488.082 5.278 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 725733820 HEZGVIZDEFVHQI-SIKLNZKXSA-N 479.646 5.616 30 20 JKED CC(C)OCCCn1c(NN=Cc2c(-c3ccccc3)nc3sccn23)nc2ccccc2c1=O 725842410 GSYJPYGJPGKNKZ-UHFFFAOYSA-N 486.601 5.034 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(C)nc21 725960526 OPWNFLRWOUIKAY-CVEARBPZSA-N 479.606 5.097 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCC2CCCC2)cn1 726117962 IAOJINMNQUHBHN-NRFANRHFSA-N 489.592 5.112 30 20 JKED N#Cc1cnc2ccccc2c1OCCOC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 726363632 ZPUBPIHFMVFFAN-VWLOTQADSA-N 499.954 5.243 30 20 JKED CC(C)c1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C#N)c(Cl)c2)cc1 726404171 SNFYAZAESKETIR-QFIPXVFZSA-N 481.021 5.135 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccccc2C)cc1 726569674 FUVBWHNZPLJCDN-UHFFFAOYSA-O 460.623 5.693 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)NCc2cccc(C(F)(F)F)c2)[n+]2ccc(C)cc2)C=C1 726571721 XITLXFDBFDUOAO-UHFFFAOYSA-O 486.539 5.073 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)cc1 726940465 USSKULNUZLFLDX-UHFFFAOYSA-N 454.324 5.193 30 20 JKED C[C@@H](OC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1cccc(C#N)c1 727640215 XLDDNKLNYUXKHW-CQSZACIVSA-N 458.898 5.070 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cc4cnn(C(C)C)c4nc3Cl)s2)cc1 727975334 SDTMTKKLTQYSPE-JXMROGBWSA-N 452.967 6.002 30 20 JKED COc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OC(C)C 728119493 NUZHEYAMUAYWAV-UHFFFAOYSA-N 459.546 5.563 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 728766575 CIYWQSFLMVHGLC-HXUWFJFHSA-N 460.361 5.217 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(CCCCC#N)C2=O)cc1 728776958 HLEBZSAIPDNLIZ-OAQYLSRUSA-N 469.010 5.611 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 728848091 GGYXRHVDCAENIA-UHFFFAOYSA-N 478.430 5.774 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(CCC#N)CC2CC2)ccc1Cl 728870444 KNFGYSABLBTXBG-UHFFFAOYSA-N 492.428 5.141 30 20 JKED CCn1c(-c2cc(-c3ccc(C)cc3)nc3ccccc23)nn(CN(C)[C@H](C)CC#N)c1=S 728901916 DWMZTBAQRLUMRK-LJQANCHMSA-N 456.619 5.816 30 20 JKED Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)sc2c1 729186613 JPGLQEGVJLHWRG-CQSZACIVSA-N 450.919 6.139 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 729552839 MSIAKBDPRPYWPM-LGPLSSKUSA-N 488.632 5.985 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ncccc3C)C2=O)c1 729633298 CUKHXFKXWUEWBS-DEOSSOPVSA-N 483.597 5.039 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 729634746 SCMJHPOWNWPVKA-OAQYLSRUSA-N 464.978 5.204 30 20 JKED N#C[C@@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 729888635 MGDNJYZXLBDNNO-ZDUSSCGKSA-N 495.313 6.362 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCc1c(C)noc1C 730441516 GMWNYGJZIZNQFH-JOCHJYFZSA-N 494.592 5.250 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 730461375 NIOLVBAVUNWLCX-SFHVURJKSA-N 493.372 5.414 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 730689342 FYPZLRUUWPNZHT-LBPRGKRZSA-N 499.461 6.753 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730942107 DXCOSICVVQEBQG-GBXCKJPGSA-N 472.614 5.728 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730963725 FJTIETNDXNWJEL-UHFFFAOYSA-N 467.303 5.046 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CC2CCC2)C1=O)Nc1cccc(O)c1 731304505 RTVNPZNUHXSMDV-LJQANCHMSA-N 491.585 5.467 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(C3CC3)C2=O)cc1 745990271 ALEPJGOQZAIKBG-IBGZPJMESA-N 476.385 5.319 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cc3c(ccc4ccccc43)o2)cs1)c1ccc(F)cc1F 746006749 UAUYNMUQCRVOBE-CSKARUKUSA-N 474.488 6.901 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 749333062 LYUVPVPLQVZZFW-IRXDYDNUSA-N 476.390 5.422 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(=O)oc2cc(CC)c(Cl)cc12 792038686 DSEIJRAMVYRXQM-UHFFFAOYSA-N 473.042 5.107 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccccc3C(F)(F)F)C2=O)ccc1OCC#N 799203583 NOFNUNPDRPGCEJ-BOPFTXTBSA-N 450.463 5.022 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(C)c1C 799214558 CKRXCJKRPPAFHJ-SFHVURJKSA-N 460.397 5.046 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Br)c2)N(CC)C1=O 799224686 YLVRXNFMBRCUCC-IBGZPJMESA-N 490.423 5.218 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccccc3F)C2=O)cc1 837300290 DOOXJJXDSQCBFQ-QHCPKHFHSA-N 493.535 5.328 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 838392836 XSWDVZXCRKAPRX-QVKFZJNVSA-N 499.423 6.110 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)NC1=O)Nc1ccc(Oc2ccccc2)cc1 913099813 UPBCCLWGBYPRBF-HXUWFJFHSA-N 451.935 5.380 30 20 JKED Cc1cc(S[C@H](C)C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)n2c(nc3ccccc32)c1C#N 913257671 IDBYCUKHBLRNLF-HUUCEWRRSA-N 463.563 5.133 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(Cl)c2)c(C)s1 914694873 WVGCPRSJLLEAKA-YJYMSZOUSA-N 462.040 5.380 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccco2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101644 JIERVMJFYYMVHG-OAHLLOKOSA-N 468.947 5.184 30 20 JKED N#C[C@H](C(=O)CCCn1c(=O)oc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103401 VUQFGAAWSHYHGV-OAHLLOKOSA-N 472.353 5.681 30 20 JKED Cc1ccc(C(=O)N[C@@H](C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C(C)C)cc1 915103820 GHFCWKLCVDSOKU-QFBILLFUSA-N 459.493 5.254 30 20 JKED C[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)N1CCC[C@H]1c1cccs1 915511924 JVPRASVMIWXFQK-JPYJTQIMSA-N 460.555 5.108 30 20 JKED Cc1cccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2-c2ccc(Cl)cc2)c1 915795712 HPYVVKPWWNRMFK-UHFFFAOYSA-N 475.021 5.800 30 20 JKED Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 916056777 HWRPDETZDBLZOA-GOSISDBHSA-N 450.838 5.373 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O)Nc1cccc2ccccc12 916209856 SOELEAFTUGQGTJ-DEOSSOPVSA-N 484.556 5.534 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2ccccn2)C1=O)Nc1ccc(F)cc1 916211152 KRLSPFHWFGPBKP-NRFANRHFSA-N 482.968 5.077 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C[C@@H]2CCCO2)cc1 916213049 XDEPHHOIKRWMCS-BJKOFHAPSA-N 473.598 5.288 30 20 JKED CCCCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)cc1OC 916349785 WIPGZFYYQLTVNG-UHFFFAOYSA-N 461.385 5.066 30 20 JKED C=CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 916554995 QLLGKBRNTOVHFW-UHFFFAOYSA-N 466.500 5.674 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OCc1ccccc1 916883362 JXYKNALOEAIIMF-HXUWFJFHSA-N 482.508 5.550 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 916899558 JKDFVAAGLWVZJZ-JOCHJYFZSA-N 490.987 6.014 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc1ccc(Br)cc1 916900668 RFLMYBWXNUSRBV-SWLSCSKDSA-N 481.799 5.248 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 916928580 OFEGOALGUNVVBI-IBGZPJMESA-N 453.325 5.311 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916945846 FZPKNOYOSUQNOD-IBGZPJMESA-N 474.369 5.227 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 916954571 JGOBSSHYBOLOTN-KSFYIVLOSA-N 489.645 5.386 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnc1-c1cccs1 917043704 NUMMLDKHLVEGSK-LBPRGKRZSA-N 493.561 5.624 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cs1 917559711 MWTYRHWYEHXBEV-UITAMQMPSA-N 485.968 5.353 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cs1 917559927 PDEIJXQTKHWINC-YVMONPNESA-N 457.338 6.777 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1F 917663858 ZFBMKWCDUUOUMR-LJQANCHMSA-N 475.517 5.326 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c1 917668598 CXZDVCOKMFCOGQ-GIFXNVAJSA-N 490.673 5.199 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1c(F)cccc1F 917703613 NSARXWCVWQYSNX-QHCPKHFHSA-N 490.535 5.039 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(Cl)s1 917703730 OXVVKIHGYZIEDW-IBGZPJMESA-N 481.002 5.434 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)c1 918126453 BMGOAJVTGBCYNC-OZXSUGGESA-N 452.558 5.533 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 918313198 YBVYRMCEEFHNBB-KAYWLYCHSA-N 467.569 5.433 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2c[nH]c3cc(Cl)ccc23)cs1 920068549 RCVUBNHGQUJVKO-WEVVVXLNSA-N 456.354 6.512 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920103920 IKOPDPNFQVFQLB-KRWDZBQOSA-N 493.947 6.096 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 920105654 CCAQYWGTESQWEO-CZUORRHYSA-N 453.976 6.103 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2cccnc2)c1 920317539 NCBLSXVYTFXDIC-INIZCTEOSA-N 490.412 5.261 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1c(C)noc1C 920354335 BRZOVHUWWXJTIA-JOCHJYFZSA-N 480.565 5.153 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 920870136 GVSLBIHNGSTHDE-WZONZLPQSA-N 461.587 5.083 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4n[nH]cc34)CCC2)cc1 1785841998 LDAWXRDBILGAAV-UHFFFAOYSA-N 465.985 5.351 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3C)cc2)CCC1)C(F)(F)F 1787046494 LQNQKBGSRUBSOQ-UHFFFAOYSA-N 482.300 5.019 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COCc4ccccc4)cc3)CCC2)c1 1787894235 RERWJAFKOOLMBY-OAQYLSRUSA-N 467.569 5.278 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788311882 AMXCVFXAXWQCCT-UHFFFAOYSA-N 451.979 5.501 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cc2c[nH]nc12 1788649868 CXQGNCJNBJVVKO-MDZDMXLPSA-N 484.581 5.120 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c4CC[C@@H]5C)cc3)CCC2)c1 1789010184 FPSRARTTWZXBEG-ZWKOTPCHSA-N 467.573 5.148 30 20 JKED Cc1nc2ccncc2cc1C(=O)Nc1ccc(C2(NC(=O)C#Cc3ccc(Cl)cc3)CCC2)cc1 1789246772 ZVLGGJUBFUFSMD-UHFFFAOYSA-N 494.982 5.391 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccnn3C(C)C)cc2)CCC1)c1ccc(O)cc1 1789800999 GIZKAPAXGCYDNN-QFIPXVFZSA-N 484.600 5.115 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)[nH]c2ccc(Br)cc12 1791008624 PTHPMLUOWQSHMS-UHFFFAOYSA-N 479.378 5.290 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(C)s4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682451 ZYBKKWNGKSBQRM-NRFANRHFSA-N 495.645 5.370 30 20 JKED COc1ccc(F)cc1CC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791683186 YAHWKHIGVRISJD-IBGZPJMESA-N 485.559 5.452 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792338468 UEDPNIDMPTXPAD-COPCDDAFSA-N 469.626 5.026 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 1796964971 NRBGJNZCIKWABE-NUNAXRQHSA-N 473.960 5.346 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cccc3s2)c1Cl 1797650242 SGCBCPRAGZCMDV-MUJYYYPQSA-N 484.408 5.645 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1NC(=O)OC(C)(C)C)C2 1798591785 HNZODABLVBSYOI-ACDBMABISA-N 469.626 5.278 30 20 JKED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1OCc1ccccc1 1799336941 JXVZIPWHNCNBNP-VKDGWMQASA-N 487.065 5.125 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)C2)CC1 1805610929 LWPSPEZEXDYWLH-GOTSBHOMSA-N 496.985 5.005 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1)c1ccccc1 1810448923 ZXWISENAJDCHLG-UNCTUWKVSA-N 491.591 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cc(F)ccc2Cl)[C@H]1c1cccnc1 1810491289 BYUGHCKJGJYDNQ-CYFREDJKSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1810500268 NVOFVWLIKXXOAE-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810725968 ILFIRKOYLPYPJJ-WBWMCNGVSA-N 469.585 5.406 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2cccs2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811251626 MWCPLUBWWKBIEB-XTEPFMGCSA-N 491.616 5.176 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1812589979 DXRJRQSAQXKLNO-REIDKSKDSA-N 474.432 5.239 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1812788629 LAHXQXUWSPTRIN-CVTBUWDKSA-N 486.660 5.635 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1 1813050672 GTZLMWNGPGAQLW-LEAFIULHSA-N 471.645 5.101 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c1 1813864489 VTJPOONDLNICMT-SAQVGAHLSA-N 490.966 5.135 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c(C)c1 1813869696 MVWFYOHUFUDZBG-QBMXVRPASA-N 480.612 5.267 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CC3)n[nH]2)cc1C#N 1814470605 APSYFUJHTHLMMF-XMMPIXPASA-N 497.599 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(F)cc2F)n[nH]1 1815520828 YDSUTMLAYIHGND-VOIFRGJBSA-N 454.521 5.162 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)sc2c1 1816628258 NXLGWUJAKMDWGN-VGSWGCGISA-N 498.612 5.575 30 20 JKED N#CCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5cccc(F)c5s4)sc3C2)cc1 1818262726 KLOBVSHNCLNWJO-KRWDZBQOSA-N 490.585 5.103 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 1818286253 CLZKRANNLHGFEH-STQMWFEESA-N 491.038 5.038 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccccc4n3C)n[nH]2)c1 1818441515 VKHVOYVEPPERPJ-UUOWRZLLSA-N 480.572 5.148 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccc(Br)cc4s3)n[nH]2)C1 1819076712 TWTQCAHGTOBIKQ-SFHVURJKSA-N 499.434 5.659 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1819304719 HMDWVTMKZZOBCE-DNVCBOLYSA-N 484.025 5.747 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)[nH]n1 1819308909 HWLXBAUSCXPBQR-FYYLOGMGSA-N 492.620 5.281 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)Nc2ccccc2)[nH]n1)c1ccccc1 1819518779 DOLVFBPOTQNGLY-QQSVUBKYSA-N 483.616 5.100 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820088873 BOPZWPNWULIYOQ-IBGZPJMESA-N 470.533 5.007 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821049150 YJJNEZUXJKKFJC-RPWUZVMVSA-N 488.588 5.081 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)cc1 1821180391 TVZTUXWLIJSAEC-GOSISDBHSA-N 475.599 5.372 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)[nH]c12 1821277563 BXFAEJXAQZEKRM-QFIPXVFZSA-N 486.963 5.344 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821289720 JFXRIKURAHZSQJ-HNNXBMFYSA-N 475.298 5.373 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4nscc34)n[nH]2)c1 1821520241 DJZNDZUHXUKOMJ-WAIKUNEKSA-N 484.585 5.266 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)[nH]n1 1821988267 SDMXUIXSIAAWTG-VEGGFIAOSA-N 493.352 5.089 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1822396605 WXQTVYIROZFGPQ-RKOYOZNISA-N 455.002 5.605 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)c3cccs3)[nH]n2)c1 1823215757 CLTAGVAGONQQPO-LZJOCLMNSA-N 461.591 5.208 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)c1 1823218255 QHNNCNMGPXJOGM-AOMKIAJQSA-N 495.505 5.675 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)c1 1823274567 HNBOJWVIRXQAHQ-NRFANRHFSA-N 497.933 5.152 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)cc1C#N 1823291146 VPGVGLMPVPMFSG-HSZRJFAPSA-N 477.609 5.345 30 20 JKED COC(=O)CCCCCCCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1 1823532933 BVYWOEMGSRPUFS-QFIPXVFZSA-N 499.656 5.170 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CC(c5ccccc5)(C3)C4)n[nH]2)c1 1823588053 GDFRBNRMTIRIPF-WDEPAJCISA-N 493.611 5.028 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)C1 1823701749 ORFGUGQERLULKN-XMMPIXPASA-N 451.998 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1823752707 LRPPERXZYNGBFY-DEOSSOPVSA-N 477.649 5.876 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2SCC)CC1 1823754152 YSIMSGYLOIVITN-OAQYLSRUSA-N 457.684 5.419 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1824501972 YMLRQWWUDDVEDO-JOCHJYFZSA-N 485.427 5.349 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1824962136 CUSOLHIDWRNEAM-GVODCENMSA-N 465.663 5.028 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827519995 OVBNYIDFDOQBKY-VGOFRKELSA-N 456.030 5.575 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 1828827928 ZUXQAEDZWOETDO-IFMALSPDSA-N 489.454 5.156 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1828829184 FLVPHJVSADQACF-DQEYMECFSA-N 460.622 5.078 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)o1 1828904277 UGRSGDMRIWAGFN-DEOSSOPVSA-N 456.703 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)CC1 1829291011 ZXJDIKOSYOWTFI-DEOSSOPVSA-N 463.622 5.567 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 1830126921 YDFBQHABCHWODB-NLDZOOGBSA-N 491.720 5.429 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2Br)CC1 1830686218 GTMXYOGLEOEBLH-KXBFYZLASA-N 483.397 5.173 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830878244 IPKINDBDWVNJMM-KOSHJBKYSA-N 454.014 5.334 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830977304 CNHYNOSXXDHQGQ-DENIHFKCSA-N 454.636 5.034 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2noc3ccc(Br)cc23)CC1 1831038272 HJKGFXAMBRFVON-OXQOHEQNSA-N 488.426 5.036 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1)C(F)(F)F 1831455628 NCCJYZGZLFWYSW-ISGGHPHESA-N 473.539 5.228 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831779662 GKINWRQXCAHYDY-GCJKJVERSA-N 463.087 5.090 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC=C(C)C)CC1)c1ccc(O)cc1 1831924829 WTJNPYNNAYKDPO-AHKZPQOWSA-N 464.650 5.255 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1832029867 TZXCQWJEBLVIGK-RUZDIDTESA-N 481.040 5.157 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CC1 1836614283 KYADHJHKQAQDNH-UHFFFAOYSA-N 478.677 5.265 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4c(Cl)cccc4s3)C2)c1Cl 1843804583 FZURBCSNWRZCEV-UHFFFAOYSA-N 470.381 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1844356442 AOVPCCLTTDTKSO-FQEVSTJZSA-N 483.653 5.333 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C3)c1Cl 1844735827 NFUDKONVYZFGPC-UHFFFAOYSA-N 482.289 5.015 30 20 JKED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccccc4)cc3)C2)cc(C(F)(F)F)c1 1846874468 JLBGAZSCFVPWEN-UHFFFAOYSA-N 489.497 5.375 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 1847628811 FQBVDQODZMMSQN-VABKMULXSA-N 470.400 5.120 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173137 ZPQZSDZSDJQCFB-UHFFFAOYSA-O 472.033 6.578 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173454 RXTYAMSSDANARS-UHFFFAOYSA-O 451.615 6.178 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1cccc(Cl)c1C 11257933 VHVVWSAQFBCVRV-UHFFFAOYSA-O 452.043 6.474 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nc(CN3CCOCC3)nc3ccccc23)cc1 22417374 NITZOIGTSCTROR-UHFFFAOYSA-N 452.583 5.293 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 24284100 YMTCNHFYULQBCZ-NSHDSACASA-N 493.492 5.432 30 20 JKED C=CCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2sc(-c3ccccc3)cc2c1=O 28069101 HBMIIEBZFGJGGO-UHFFFAOYSA-N 493.013 5.265 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)c2)c1 32291422 KBMFAGPKRYPPIS-UHFFFAOYSA-N 472.932 5.802 30 20 JKED N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nnc(C3CC3)n1Cc1ccco1)CCCC2 32325357 RJLZACBJMAYNKK-UHFFFAOYSA-N 498.612 5.069 30 20 JKED Cc1sc2nc(SCC(=O)Nc3ccccc3SCC#N)n(C(C)C)c(=O)c2c1C 36821505 KPSQHJOXDCXWQU-UHFFFAOYSA-N 458.634 5.002 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 68734829 IBHZSCLRHBAZBN-UHFFFAOYSA-N 493.563 5.513 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)nnc1-c1ccoc1C 104597703 HHKNWIOZYIKYJF-UHFFFAOYSA-N 465.604 5.271 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 255947278 QJYMDDPJIAIHCM-UHFFFAOYSA-N 456.354 5.848 30 20 JKED Cc1ccc([C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccccc2)cc1 409454866 DPPURFAEVVOECG-AREMUKBSSA-N 452.558 5.016 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 409806254 SPANHTBLYPTNJN-MRXNPFEDSA-N 476.689 5.582 30 20 JKED CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 485965935 IDMKEQYCKVRWIW-UHFFFAOYSA-N 450.542 5.758 30 20 JKED C=CCN(C(=O)c1ccccc1C(F)(F)F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491029500 WFYXKAMKOZXUQT-UHFFFAOYSA-N 466.506 5.065 30 20 JKED C[C@@H](NC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)cc1)c1ccc(C#N)cc1 499238040 QLAJOZICQMHDQG-FGZHOGPDSA-N 498.586 6.079 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 499662534 HGMXOWRUHLWAOP-UHFFFAOYSA-N 475.573 6.165 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2)cc1 502680448 RDVFXEBWBBMTPT-UHFFFAOYSA-N 493.567 5.086 30 20 JKED CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(OC)cc1 503561143 HNEGMSGIYZTLNA-XMMPIXPASA-N 457.530 5.345 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)C1CCN(CC(F)(F)F)CC1 504725183 XEQJHXKNLMICKG-UHFFFAOYSA-N 496.398 5.666 30 20 JKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1ccc(F)c(C(F)(F)F)c1 504774878 ICGKWOKOLYAHFM-UHFFFAOYSA-N 484.799 6.006 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(Br)cc2cccnc12 507908491 MVMGUPZZHRQOBH-UHFFFAOYSA-N 485.382 5.785 30 20 JKED Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)o2)c(C)c1 509266490 YPFAPPGZNDSCRQ-UHFFFAOYSA-N 466.537 6.373 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 510872232 LRPSXISDECAHNE-NRFANRHFSA-N 454.530 5.542 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 512536755 VIYQEMQHHUAPQP-UHFFFAOYSA-N 485.565 5.884 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCOc2cccc3ccccc23)cc1Cl 516066250 DPKWNONLGQAFLY-DEOSSOPVSA-N 483.955 5.282 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 516713599 AWBZETUEPUEJQV-GOSISDBHSA-N 480.578 5.490 30 20 JKED CC[C@@H](C)n1c(SCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)nnc1-c1ccccc1 517492235 PBOQKPGCIPKKJA-RDTXWAMCSA-N 474.417 5.696 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc(-c2c(F)cccc2F)cs1 518871168 YOTCQKDZSWUMQS-HNNXBMFYSA-N 465.506 5.892 30 20 JKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc(-c2c(F)cccc2F)cs1 518872925 IDVZVBGJFDBGCT-KRWDZBQOSA-N 490.491 6.099 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1C 518913081 OGZYDUHGGOCVEN-RUZDIDTESA-N 476.024 5.301 30 20 JKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)o1 520194090 DXSZACKOOOXTRY-XDHUDOTRSA-N 455.514 5.197 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1Cl 520589075 LTOYUMHKEAMRFU-AOYPEHQESA-N 487.003 5.351 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(F)c2F)c1 520760813 LNMJLBGEEWGXHL-UHFFFAOYSA-N 462.905 5.252 30 20 JKED CCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc2ccccc12 520919019 OERISGPQACKVHE-UHFFFAOYSA-N 454.530 5.619 30 20 JKED COc1ccc(CC[C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 521502244 YVHHLGPDZCYQJI-LJQANCHMSA-N 473.598 5.049 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1I 521734502 PUVKFHZAJZZRBN-UHFFFAOYSA-N 476.261 5.568 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)cc1 523169633 FBMKZKQPDNBHDF-TZYHBYERSA-N 480.996 5.060 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 524440425 MHOKVAXAIUFFDL-MHZLTWQESA-N 454.574 5.404 30 20 JKED C=CCn1c(SCC(=O)N2CCC(OC3CCC(C)CC3)CC2)nnc1-c1ccc(Cl)cc1 594513256 FVTFZTCYNKWWPP-UHFFFAOYSA-N 489.085 5.463 30 20 JKED Cc1cc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c3cnn(C(C)C)c3n2)c(C)o1 603527608 WDUFOVKLBHYDSO-UHFFFAOYSA-N 455.562 5.812 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(Oc5cccc(C#N)c5)nc4)cc3)o2)cc1 603627141 UIMDPSACWLOHME-UHFFFAOYSA-N 473.492 6.023 30 20 JKED COc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1OC1CCCC1 603806905 XMCRRAHYUILHRB-UHFFFAOYSA-N 466.588 5.284 30 20 JKED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccc(NC(=O)Nc2ccccc2)cc1 604033726 WCVSETILHRJWJN-HNNXBMFYSA-N 488.491 5.261 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604258110 SPRZDYQNSKUBER-UWVGGRQHSA-N 484.340 5.295 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC(c4cccc5ccccc45)CC3)cn2)cc1 604507624 QWUUWTTTXFNOMP-UHFFFAOYSA-N 476.536 5.243 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nnc1-c1ccccc1 604547981 MGXJDNUGSODJQZ-GOSISDBHSA-N 484.585 5.706 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(OCC(F)F)c3)c2)cc1 608841619 RRQCNIRKXJARQB-UHFFFAOYSA-N 451.473 5.297 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609058371 OFUYPUWKBZNABP-OALUTQOASA-N 471.557 5.409 30 20 JKED Cc1ccc(-c2ccc(CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C(C)C)s2)cc1 609148232 DHNKCVXNQXOMCC-UHFFFAOYSA-N 473.646 5.579 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4cccc5ccccc45)CC3)cc2)c1 609433691 BWJSRXXPFRBESZ-UHFFFAOYSA-N 476.536 5.494 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)n2)cc1 612941636 JFUMVWHQWFGWPM-AVRDEDQJSA-N 479.627 5.029 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344270 CSPCTAHRAJZPGU-KRWDZBQOSA-N 482.348 6.452 30 20 JKED O=C(N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 618301087 JOIXRNAPHTXEFY-GJZGRUSLSA-N 461.368 6.107 30 20 JKED O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 624834645 KWYISHMPWKSNQN-UHFFFAOYSA-N 464.337 5.370 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OCc1ccc(F)cc1 642158070 QHWZBDGZSFTPQO-QLPKVWCKSA-N 463.393 6.044 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(F)c2)c1 726399055 WSSSJULVQIJNSM-HSZRJFAPSA-N 493.560 5.003 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccs2)c1 726412773 UDPQMXDRHYYUHX-NRFANRHFSA-N 481.549 5.168 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccccn1)c1cccs1 726418459 DATXOFGCCNHVEF-CXYDIROXSA-N 482.606 5.433 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3OC(F)F)SC2=S)cc1Cl 726626209 AYUVLZMQSOYYQS-UUASQNMZSA-N 467.862 5.127 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 728119181 JRWDKWUXPVKWKC-REWPJTCUSA-N 492.620 5.603 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 728777640 LWFVINRPAHHABX-LJQANCHMSA-N 458.946 5.133 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1 729323827 UERQPLKDAAELFK-JOCHJYFZSA-N 476.602 5.590 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc3cccnc23)cc1 731306247 UJVCKHPXNNGTFN-XMMPIXPASA-N 496.592 5.409 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(C)C)c1 731313571 ZWISANJPLXLKPT-DEOSSOPVSA-N 488.613 5.380 30 20 JKED N#Cc1ccccc1COc1cccc(C=Nn2c(S)nnc2-c2ccccc2Br)c1 731314686 SKMIIHPVJQMDAY-UHFFFAOYSA-N 490.386 5.329 30 20 JKED COc1cc(C(=O)/C=C\c2cccc(OCc3ccccc3C#N)c2)ccc1S(=O)(=O)C(F)F 731319942 SMNISJFKZUMTFI-LUAWRHEFSA-N 483.492 5.038 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c1 746693861 GCUCEJXWNVFDJY-HXUWFJFHSA-N 475.561 5.049 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1 747321327 MZLOYSCSDFBNFI-NDEPHWFRSA-N 487.559 5.199 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 748618154 GEHXITTYXMPOEL-QHCPKHFHSA-N 476.561 6.423 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 751328868 ILQVRVSOAFAVRT-SQMFLSJESA-N 451.570 5.280 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(Cl)cc1Cl 799221299 NUWWBVNIPOTJAR-SFHVURJKSA-N 464.374 5.176 30 20 JKED COc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(C)cc3C)=C2C)cc1 839944928 GILHXSBHFHVCSV-SANMLTNESA-N 482.609 5.532 30 20 JKED C[C@@H](OC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)C(=O)N(CCC#N)c1ccc(F)cc1 913252717 SNXIXCQGKANCOA-IBVKSMDESA-N 484.531 5.012 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)Cc1ccco1 914690589 ZYIFXEOGDANPHC-NYHFZMIOSA-N 499.539 5.158 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C)cc(C)nc2C)c1 914721403 ACBWDJFLDPOIMK-UHFFFAOYSA-N 469.994 5.294 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(CC)cc1 916214092 KAKCUFIMGYCLPW-IBGZPJMESA-N 461.509 5.414 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)cc1 916214859 PXBAROCSDZTUFR-QFIPXVFZSA-N 495.004 5.294 30 20 JKED N#CCOc1cccc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 916411429 VPXDFFDQBBYLHM-UHFFFAOYSA-N 473.432 5.919 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCSc1nc2ccccc2s1 916901821 AVERBSIFIJYPMR-CYBMUJFWSA-N 459.980 5.097 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2cccc(C)c2)c1 916903261 QNHJSXGNODTQBB-OAQYLSRUSA-N 462.933 5.506 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)c1OC 917673733 GLOAXADIEDNBSQ-HSZRJFAPSA-N 489.597 5.173 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](c1ccccc1)C1CC1 917700755 SQEPTUPQTFHIQQ-XNMGPUDCSA-N 494.620 5.348 30 20 JKED O=C(/C=C\c1csc(COc2ccc(Cl)cc2)n1)c1ccc(N2CCOCC2)c(F)c1 918713100 OYFMVLJMYOBVNQ-YWEYNIOJSA-N 458.942 5.247 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 920109889 VCMQSSKYXPBCPW-VWLOTQADSA-N 480.543 5.764 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C4SCCCS4)cc3)n2)cc1 920139838 ZGFYAALGEUQZJF-FQEVSTJZSA-N 482.652 5.943 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccccc1C 920142482 KMTAUMYTQWGRJB-HXUWFJFHSA-N 489.626 5.374 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cc(C)on3)C2=O)cc1 920353421 JEZPQVHZHWMIJS-QHCPKHFHSA-N 492.601 5.159 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 920789731 AKHVXRCSPCTOEA-CQSZACIVSA-N 494.775 5.183 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 920868088 IFLJHHNGHQBXSY-JLTOFOAXSA-N 477.989 5.030 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1C 920894550 QSQXGMBIBFMFHN-INIZCTEOSA-N 485.371 5.571 30 20 JKED C=C(Br)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 921043191 JJOOQSAFJWXPBZ-XNTDXEJSSA-N 458.337 5.160 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)COCC(F)(F)F)C2=O)cc1 921254692 ZNSZWULFSCUZAH-FXAWDEMLSA-N 493.551 5.231 30 20 JKED COc1ccc(OCc2nnc(S)n2N=Cc2ccc(Oc3cc(F)cc(F)c3)cc2)cc1 921255904 CMNJMQPZDIEORD-UHFFFAOYSA-N 468.485 5.107 30 20 JKED Cc1c(O)nc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc1-c1ccccc1 1559396455 LZJFQDZZBRHDCN-UHFFFAOYSA-N 450.589 5.091 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@H]4CCc5ccoc5C4)CCC3)cc2)cc1 1785794686 AAYYZXZDKZKXNW-QHCPKHFHSA-N 467.569 5.023 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCCc4cc(OC)ccc4OC)CCC3)cc2)C1 1785808068 KRYZXJAOGHLLFP-UHFFFAOYSA-N 462.590 5.127 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)CCC1 1786200962 DAQQWCKTABAQED-MHZLTWQESA-N 488.628 5.951 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)(F)F)nc4ccccc34)CCC2)cc1 1786359702 RLIWXHOPRFOLAS-KRWDZBQOSA-N 495.501 5.040 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@@H](F)c3ccccc3)cc2)CCC1 1786613802 UYWXDOLGFJPFMT-XXFRDUSWSA-N 462.546 5.332 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccsc4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1787285732 LDGDQNWDYYFSJD-NRFANRHFSA-N 481.618 5.061 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1 1787768770 KTWIYQPBSFJVTE-HXUWFJFHSA-N 467.569 5.313 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CSc4ccccc4)cc3)CCC2)c1 1787774954 XEXLRJNWXPHVHC-UHFFFAOYSA-N 459.546 5.237 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CCC3)CCC2)cc1 1788030796 WUTLZPBIGCMPFN-UHFFFAOYSA-N 493.051 5.178 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@H](C)Nc3cccnc3)cc2)CCC1)c1ccccc1 1788033166 GZSPQJUINNVHKJ-CUNXSJBXSA-N 480.612 5.213 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ncn(C)c4C(F)(F)F)cc3)CCC2)c1 1788769981 YZCYQYGOCCTSCZ-INIZCTEOSA-N 495.505 5.127 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5[nH]4)cc3)CCC2)c(Cl)c1 1788919410 HHEDSOJIYVYSQS-UHFFFAOYSA-N 469.932 5.149 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(F)c1 1789189286 JDRJOMHEPYHIFY-UHFFFAOYSA-N 485.559 5.281 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1789495105 ZURKCMSZBIRYCW-DEOSSOPVSA-N 475.564 5.142 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)CCC3)cc2)c1 1790074132 DTVDHWUEDXXDJL-GSDHBNRESA-N 495.604 5.202 30 20 JKED Cc1nc2ccncc2cc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790084113 ZGPUIGBWGAJAIJ-UHFFFAOYSA-N 495.970 5.525 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4[nH]nc5c(Cl)cccc45)CCC3)cc2)cc1 1790707259 GMHLWXPCZDKNHY-UHFFFAOYSA-N 497.986 5.273 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5ccccc45)CCC3)cc2)cc1 1790707262 IFFCVYSFWKQCLZ-UHFFFAOYSA-N 460.537 5.362 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5cn4)CCC3)cc2)c1 1792126611 HCEOALDCPOIBHS-SFHVURJKSA-N 464.525 5.516 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cc(F)cc(F)c1)C2 1793048918 CTWBRVMIKDXXGW-NUNAXRQHSA-N 465.544 5.047 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)ccc(Br)c1C)C2 1798591698 AXAWNBSAVZVRQH-BJWYYQGGSA-N 465.407 5.141 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1801699464 QHNLWUBFHPLWEU-CLLJXQQHSA-N 451.728 5.110 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(F)c2C)[C@H]1c1cccnc1)c1ccccc1 1802763032 QCYVQDJRAOQUPD-GYGTVUFYSA-N 483.587 5.046 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1803091439 GGZTZAASCIINNB-MBSDFSHPSA-N 473.951 5.101 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1804174092 DRLSJTYHGBKUJT-HOFKKMOUSA-N 487.625 5.113 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1804845779 NKRYFQRKERYPIB-OROMBRFGSA-N 482.628 5.473 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccs2)[C@@H]1c1cccnc1)c1ccccc1 1807398351 CKTBDSDMOBYFCI-FJHQTZCDSA-N 483.637 5.060 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)[C@@H]2c2cccnc2)c1 1807468723 XDLBLVNHMAMVPN-OIKPOIBNSA-N 481.706 5.017 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1807842172 GBWBXAGPXBXUEC-ITLAICGJSA-N 494.639 5.540 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)[C@@H]1c1cccnc1 1810498267 LMSVQEGENRIOJT-FXAWDEMLSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1810502642 KVDOFCQDYIXMLF-UTKZUKDTSA-N 490.431 5.406 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810502714 LBDWYGJXAYVREU-JTSKRJEESA-N 475.967 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811270694 DCJNPCLDNDPBCW-XTEPFMGCSA-N 498.671 5.801 30 20 JKED Cc1cc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)cc2s1 1813868452 OBQWINCFODSCND-RRFXTLBOSA-N 497.624 5.193 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)[nH]n1 1814441540 MVQCHORDUAEOAC-KRWDZBQOSA-N 464.397 5.410 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)[nH]n1 1814445310 JIIGPFLKCYFNFC-OAQYLSRUSA-N 450.583 5.033 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)Cc4ccc(C#N)cc4)n[nH]3)sc2c1 1814499079 PHQIHUVQLKKYNX-JOCHJYFZSA-N 483.597 5.353 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1815206965 ILFRRMNMUJRICY-OAQYLSRUSA-N 497.983 5.007 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1)C(F)(F)F 1815536306 TXAZHPNDXLUMNX-IJDCCNJMSA-N 486.416 5.253 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C(F)(F)F)cn2)n[nH]1 1815905044 LCYYZDLYLZFKIE-HXUWFJFHSA-N 491.558 5.441 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccn3c2)n[nH]1)c1ccccc1 1817820330 HZDKDNSJSSOGDS-FYYLOGMGSA-N 485.613 5.227 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2cccc3ccccc23)[nH]n1 1819302726 KSFTVINJJXVBJC-QPPBQGQZSA-N 472.589 5.402 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)CC2 1819598048 RQLZLMCHINKSCJ-OAUMBLRKSA-N 490.673 5.202 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)c1 1820484675 QGQGIAUVENFWNT-LJQANCHMSA-N 468.344 5.208 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C23CC(F)(C2)C3)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821151055 REMLVQAOWUIPFH-NXGPHGMSSA-N 482.559 5.008 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1821324802 HWWRAKDOJUGJHV-HBRDYDSTSA-N 479.540 5.355 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)n[nH]2)CCC1 1821524529 HDMOZTFTTDMOEI-NRFANRHFSA-N 482.544 5.151 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4c(Cl)cccc34)n[nH]2)c1 1821542263 ZRXCVVUYLXAGNG-OAQYLSRUSA-N 490.926 5.175 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821856998 LLXRXXNCIXHKLP-WIOPSUGQSA-N 487.044 5.478 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)[nH]n1 1822395954 GTKRZJSQBYQMBF-INIZCTEOSA-N 471.772 5.017 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc(O)cc1 1822469493 MMFKZXWSYKCAKI-SHRZGDLGSA-N 488.632 5.131 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823215722 BPOODAOCQCIGFY-HXOBKFHXSA-N 459.525 5.104 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)n[nH]2)cc1 1823299660 BFEBPWZXTLHVBT-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823309307 NDEYZYCANNGOCK-LJQANCHMSA-N 480.918 5.581 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)C1 1823704275 DCEPQMBEMPUQBI-NRFANRHFSA-N 453.385 5.332 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)cc2c1 1824052021 BOJNQOIDTALWTD-NDEPHWFRSA-N 482.628 5.214 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824504819 SMDXMMYAZJYRPO-HYBUGGRVSA-N 494.598 5.239 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1824508321 JJXOMTPGZVSMCK-BKMJKUGQSA-N 476.617 5.303 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1824538204 JBCSWDBBDQAOLP-PMACEKPBSA-N 474.564 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc(C(F)F)c3)CC2)c1 1825406691 PIMHFMMWIADGLE-MHECFPHRSA-N 480.559 5.193 30 20 JKED CC(C)c1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)co1 1825418866 HVBZBRZIQCXEDW-QHCPKHFHSA-N 471.718 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826780019 BQHQRQZYKRKYHB-VNNZRSTGSA-N 491.720 5.977 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)ccn1 1827680035 FZTIKWUKDKIJIH-DGSRBQDKSA-N 493.673 5.113 30 20 JKED Cc1cc2cccc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)c2[nH]1 1827697938 VGVFKAPQOFXSEA-MGPUTAFESA-N 483.597 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1828824721 PDSQGRDPQCAGBB-RPLLCQBOSA-N 477.649 5.107 30 20 JKED Cc1nc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1828903655 CNHPNBZICFQYMR-JOCHJYFZSA-N 473.759 5.044 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1)c1ccccc1 1829031591 BGLZUJDYAPOQRF-DGPALRBDSA-N 493.651 5.665 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1829066649 PBMZJIKCFPBWDF-LJQANCHMSA-N 454.533 5.524 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(OC)cc2Cl)CC1 1829068076 CPGNJAFYFGWQDG-DEOSSOPVSA-N 475.073 5.503 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c1 1829968807 ZZXFYHHMLVOSGA-RUZDIDTESA-N 464.009 5.078 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)cc1 1830016025 AKSRUJZCXPVVHL-QHCPKHFHSA-N 488.390 5.551 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(CCCCC)cc2)CC1 1830347684 DTSDFARNMIKTNZ-HHHXNRCGSA-N 496.692 5.091 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)c1 1830735499 KZUSKWXWOYXJPX-JOCHJYFZSA-N 488.390 5.551 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830988392 XLJCXMNBKVAFLW-JOCHJYFZSA-N 496.449 5.385 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1831445026 VWSOJWHGPBKQQK-DEOSSOPVSA-N 481.587 5.502 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCSCc3ccc(C)cc3)CC2)C1 1831746345 CVPWHSWVWAIVBH-VWLOTQADSA-N 454.680 5.204 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4ncccc4c3)CC2)c1 1832629727 VPTMKJSEDTZGTR-MNNSJKJDSA-N 494.639 5.338 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)c1 1832630839 NUGWCDASRZXKGE-AFMDSPMNSA-N 479.571 5.068 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832996378 WGRFFABEHKDIIZ-LJAQVGFWSA-N 490.688 5.683 30 20 JKED Cc1cc(C)c(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)c(C)c1 1838821101 WTIJHGAYVTZIGP-HSZRJFAPSA-N 487.644 5.165 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1846013382 XLBUYSJMFAFRAY-UHFFFAOYSA-N 494.460 5.526 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)CCCCCC(C)(C)C)C2)NC(=O)OC(C)(C)C 1846933766 RTVNIQNTMVWDFV-NRFANRHFSA-N 477.690 5.046 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1847473741 NPPKKZSFOWHPCF-VXKWHMMOSA-N 479.363 5.121 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(Cc2ccccc2)cc1 10174376 LMRYHPLNOGXQLT-UHFFFAOYSA-O 491.680 6.667 30 20 JKED CCCCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2sc3c(c2c1=O)CCC3 10783630 ZKIGPSCVRHFEMB-OAHLLOKOSA-N 466.632 5.128 30 20 JKED COc1cc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2F)cc(OC)c1OC 11020276 HDBAEFOQUXOVFP-UHFFFAOYSA-N 476.533 5.263 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)cc1 11158350 ZDVFAWRELAUTBP-UHFFFAOYSA-O 452.770 5.691 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccoc1C 11428831 FWRFOTKMHYJZOA-CYBMUJFWSA-N 452.458 5.050 30 20 JKED Cc1cc(CSc2ncccc2C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)no1 18468030 FNMRYLYQIVAZDL-HNNXBMFYSA-N 496.614 5.056 30 20 JKED N#Cc1cc(C#N)c(SCC(=O)N(Cc2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)nc1N 21426037 UYHAWVMBQBUPLR-UHFFFAOYSA-N 492.048 5.150 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccc(OC)cc1 21962107 BRVREFZZVIJRQJ-UHFFFAOYSA-N 472.570 5.663 30 20 JKED CCn1c(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)nnc1-c1ccccc1OC 22132774 ZTFCMKXXKGMACN-BXDFRRGMSA-N 462.619 5.335 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n1CCc1ccccc1 23473311 NPKMMOHSXQFJCB-LJQANCHMSA-N 483.597 5.187 30 20 JKED Cc1ccccc1-n1c(SCC(=O)Nc2sccc2C#N)nc2cc(Cl)ccc2c1=O 23475063 QTGHNHJVRYFKFE-UHFFFAOYSA-N 466.975 5.012 30 20 JKED C[C@@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1cccc(Cl)c1Cl 24344996 OVMVXZRLHDKENP-GFCCVEGCSA-N 486.384 5.214 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2cccc3ccccc23)[n+]2ccc(C(C)(C)C)cc2)cc1C 28782932 BJZJZYLLQDQDDP-UHFFFAOYSA-O 467.658 7.093 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2NC(=O)c2cccs2)c1 72081205 YHFZTIMQCDHEFZ-UHFFFAOYSA-N 453.523 5.703 30 20 JKED C=CCn1c(SCc2csc(-c3ncccn3)n2)nc2scc(-c3ccccc3)c2c1=O 108170996 GVHTXFCPZDXBNJ-UHFFFAOYSA-N 475.624 5.517 30 20 JKED Cc1nc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)sc1SCC#N 108737685 RNMYGLLSNVVZDD-UHFFFAOYSA-N 477.434 5.628 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nnc1-c1ccccc1F 195568789 PBVGNLARVSEVCJ-UHFFFAOYSA-N 465.579 5.704 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 303336173 XODAPHZASZHGHR-MBSDFSHPSA-N 478.017 6.092 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)n1 476851292 PURJMDORAYSJMQ-NSHDSACASA-N 468.585 5.422 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 486678492 XJMARTUMRZOLMT-UHFFFAOYSA-N 450.542 5.232 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1C 487726224 PDNFYOSUOXLNPB-UHFFFAOYSA-N 489.535 5.134 30 20 JKED N#Cc1ccsc1C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 497985008 NDPXYSJZMKYIBG-AWEZNQCLSA-N 464.399 5.876 30 20 JKED C[C@@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)c1nnc(-c2cccc(Cl)c2)o1 501590904 DQKBXBLGESZLRV-CYBMUJFWSA-N 476.949 5.344 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c(OC)c1 502715851 LNWPCXSFZVQODP-HXUWFJFHSA-N 492.457 5.460 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 503240811 IWCPTRUWVJQYRC-UHFFFAOYSA-N 455.583 5.341 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)cc1 503530223 CCJYXSBNKHVRAS-IBGZPJMESA-N 457.461 6.242 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1 505620531 JZJIQVAJSUZUBE-UHFFFAOYSA-N 471.538 5.955 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1 508159867 RAJGOLAPZLEADA-UHFFFAOYSA-N 481.527 6.214 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 508291745 HYHAPUBXBOSDSY-OAQYLSRUSA-N 462.575 5.379 30 20 JKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 510237352 DQPOPYTXCPQTEX-IBGZPJMESA-N 473.598 5.374 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)o1 510254512 GOUKBOYTWXAQLC-UHFFFAOYSA-N 454.482 6.092 30 20 JKED CCCCc1ccc([C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2cccs2)cc1 512615934 ZAQXISDSXDLPKL-AREMUKBSSA-N 471.630 5.460 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 513186107 BQOLKTPYEIHZAC-UHFFFAOYSA-N 470.882 5.255 30 20 JKED C=CCOc1c(Br)cc(CNCc2cc(F)ccc2Br)cc1OC 513622299 PWJIWIYVPZNGFI-UHFFFAOYSA-N 459.153 5.214 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1 513869902 RPOPADLURVNVEJ-UHFFFAOYSA-N 484.575 5.487 30 20 JKED CCOc1c(Cl)cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC 515323371 UEZQXMKXWQLFSB-UHFFFAOYSA-N 460.968 5.015 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 515452077 UAQWFBFEOXFRKI-UHFFFAOYSA-N 465.578 5.931 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)nnc1-c1ccccc1 515482507 DDMNCDQMQINLPV-XMMPIXPASA-N 472.639 5.459 30 20 JKED Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2ccc(Br)cc2n1 515600187 SZPMQBQTLHDXCL-UHFFFAOYSA-N 496.415 5.574 30 20 JKED C[C@H](Oc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cn1)c1ccccc1 515936017 DMAKJYAKZXEXSA-INIZCTEOSA-N 473.583 5.489 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1c(F)cccc1F 516386268 ZCUFLGCPCRZLQS-OAHLLOKOSA-N 451.498 5.058 30 20 JKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517159137 POGWJIWDZMETMW-AWEZNQCLSA-N 469.875 5.440 30 20 JKED Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccccc3SC[C@@H](C)C#N)nc12 517462048 ZJZXGISLGREDKM-SFHVURJKSA-N 456.571 5.726 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C#N)c4ccc(C(C)(C)C)cc4)CC3)c2c1C 517493939 MTXDOYJRBHDFLK-NRFANRHFSA-N 461.635 5.203 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 517528318 ZPYDBIFUOFUEJN-INIZCTEOSA-N 486.435 5.020 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1Cl 518097780 KTFRSSAZRXGXHD-QFIPXVFZSA-N 497.986 5.216 30 20 JKED CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519182110 FDIPERBGVWREBD-IBGZPJMESA-N 485.462 5.273 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccc(Cl)cc1 519414763 UZCFWDJJPZKLJM-INIZCTEOSA-N 486.066 5.991 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 519424944 MTFWYPGKHXPXPI-AQNXPRMDSA-N 465.619 5.359 30 20 JKED CCCN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 519442148 ZQHXMLQDGVQPLC-MRXNPFEDSA-N 474.424 5.078 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 520840375 JUACEMZJSVXHIH-CABCVRRESA-N 499.061 5.840 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 521111581 YZWNCQHDCAALFB-UHFFFAOYSA-N 499.680 5.564 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(COc3ccccc3C#N)o1)CC2 603948723 ZGOSQPKJPLYVST-GDLZYMKVSA-N 494.547 5.535 30 20 JKED Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3cccc(OCCCC#N)c3)c2c1C 603969677 RAQQYMJUHIMZOC-UHFFFAOYSA-N 474.611 6.394 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 604135172 IOTGRLVVINEZDY-LADGPHEKSA-N 461.949 5.210 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3cc4ccccc4o3)cn2)c1 604138086 NQNLXYCJPFCQOT-HHHXNRCGSA-N 488.503 5.336 30 20 JKED C[C@@H](c1nc2ccccc2s1)N1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1 604302722 COVLVXVTEOCFFT-HNNXBMFYSA-N 465.529 5.201 30 20 JKED C=CCCO[C@@H](C)C(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1Cl 604463972 FVRDWFYAPYOZDR-ZDUSSCGKSA-N 498.748 5.117 30 20 JKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 608840999 HWPGPWOIOCXLKP-QFIPXVFZSA-N 489.019 5.942 30 20 JKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(OCc2ccccc2)cc1 609028655 LMZBHUNDTNGQAY-XMMPIXPASA-N 467.550 5.574 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 609079372 ZUMBQTGIQDODFT-UHFFFAOYSA-N 465.557 5.062 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1csc(-c2ccc(C(F)(F)F)cc2)n1 609236828 CDBWRNZFDBWBEA-UHFFFAOYSA-N 467.925 6.226 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 609439981 XUEPQEANSGSTSJ-RTBURBONSA-N 491.588 5.615 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c(C)c2c1 612567944 UHTVCNMVIDDIKU-UHFFFAOYSA-N 466.537 6.160 30 20 JKED N#C[C@@H](C(=O)c1ccn(-c2ccc(F)cc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344876 SHQOQNPVTGJZAM-INIZCTEOSA-N 457.317 5.932 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 613908705 YKAPLQAQOLDAND-LJQANCHMSA-N 488.588 6.288 30 20 JKED O=C(Nc1ccc(Br)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542449 RQJNSYUDVFENHZ-OCAPTIKFSA-N 487.160 6.063 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 619406118 UHLAUQMPHCKXKI-UHFFFAOYSA-N 463.405 5.448 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 622494032 NFTCUSVHBRDJKL-UHFFFAOYSA-N 489.338 5.182 30 20 JKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1-c1ccccc1Br 726322158 SZVGZIYNLHYDQS-CQSZACIVSA-N 491.172 5.723 30 20 JKED CC(=O)Nc1ccc(-c2csc(=Nc3ccc(C#N)c(Cl)c3)n2C2CCOCC2)cc1 726391469 PADTZBLRCUXOFG-UHFFFAOYSA-N 452.967 5.284 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2ccc(Cl)cc2Cl)C1=O 726415067 HKHGFCIOVSQCFI-IBGZPJMESA-N 480.417 5.048 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1)c1cccs1 726418778 AZTOBLIXXFSSIX-NLQZWXQWSA-N 464.616 5.294 30 20 JKED N#CCCCOc1cccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c1 726737184 KXJCICMGPOAPMB-UHFFFAOYSA-N 462.362 5.017 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3cccc(OCCCC#N)c3)cc2)cc1 726742917 ZKFMHCUIGGFZAU-SXGWCWSVSA-N 460.555 5.375 30 20 JKED Cc1sc2nc([C@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)nc(O)c2c1C 728062214 JXUKDMZIPZOKFM-AWEZNQCLSA-N 464.978 6.291 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2)s1 728424154 VFPMLIFTCBEBTN-OAQYLSRUSA-N 460.584 5.089 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 728766773 KCOBDFJIDKVAER-LJQANCHMSA-N 450.281 5.619 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C)c1C 729634697 REDSBFRGILYWIT-HSZRJFAPSA-N 494.567 5.446 30 20 JKED CN(C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)c1ccc(C#N)cc1F 729653927 PYQFLNZODYTKBF-UHFFFAOYSA-N 492.626 6.243 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C2CCC2)C1=O 730462062 LHSOGXCSENKNFF-FQEVSTJZSA-N 452.967 5.033 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2nccs2)cc1 731307668 JCQMRPZNBYYYCO-OAQYLSRUSA-N 494.642 5.175 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c1 731309840 ZTYKTBPWDFZHKM-NRFANRHFSA-N 465.600 5.231 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(Cl)c2c(c1)OCCCO2 744728651 BZAXJBYADFNSFI-UHFFFAOYSA-N 450.951 5.008 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cc(C)n(-c3cc(C)on3)c2C)c1 744766770 TXZUPOZQLCLKGO-UHFFFAOYSA-N 464.595 5.164 30 20 JKED CC(C)(C)c1nc(C#N)c(NN=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 746498392 NUTUQEBWKWETBW-UHFFFAOYSA-N 455.478 5.051 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)nc1C 747338256 IVNLHVPFBKQFMD-UHFFFAOYSA-N 456.641 5.361 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1 747598259 AATXKQWJFMTIRF-NRFANRHFSA-N 499.061 5.882 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)cc1C 747600479 ATTMODCORVNNEL-HXUWFJFHSA-N 468.579 5.060 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747600923 ROUFDIKLNZEVMV-SFHVURJKSA-N 491.425 5.610 30 20 JKED COc1c(Br)cc(Br)cc1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 748583573 GUFRKLQJMULEFA-DAXSKMNVSA-N 481.140 5.073 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccccc1-c1ccccc1 750909317 GFZCVJRQLAJLCO-DEOSSOPVSA-N 489.597 5.351 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 837286257 UZJGLEFEBQJZIY-UGKGYDQZSA-N 458.587 5.420 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N([C@@H](C)c3ccccn3)C2=O)c1 837406244 WRJKZZNJVUBHHR-YADARESESA-N 488.613 5.429 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCN(C3CC3)CC2)cc1 837874944 IFGDUQIOKZUEFX-VWLOTQADSA-N 490.673 5.199 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccc2)C1=O 838531821 CBLRYGRXXCAMHE-JOCHJYFZSA-N 481.524 5.134 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@@H](C)c2ccccn2)C1=O 838534261 MDLACPBDRJOTQU-OYHNWAKOSA-N 496.539 5.090 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)s2)c(F)c1 883978104 GAHILYZWYYAUCL-RYUDHWBXSA-N 454.411 5.769 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc2cc(C(F)(F)F)ccc2s1 915104563 RPCBNAAXSKMPBN-CQSZACIVSA-N 459.424 5.918 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1 915181082 WYOQOSOTRJYRBA-BIAHXVBSSA-N 488.576 5.694 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(C=NNc2nccc3sccc23)cc1OC 915978266 CJXXEHWPKONFIB-UHFFFAOYSA-N 496.976 5.430 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 916213046 XDCWXANJOWTRQE-HXUWFJFHSA-N 485.396 5.549 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2C(F)(F)F)NC1=O)Nc1ccc(Cl)c(Cl)c1 916232962 WTMLCWSCYQBUEJ-CQSZACIVSA-N 462.280 5.260 30 20 JKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)[C@H](C)Oc1ccc(C#N)cc1 916878922 BNQPMUSIHGULSY-SFHVURJKSA-N 466.493 5.345 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)COc1ccc2oc3c(c2c1)CCCC3 916901699 AFMHWGIOQMZPPC-SFHVURJKSA-N 466.921 5.008 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 916925836 PDWAZBUFKLRING-JOCHJYFZSA-N 469.516 5.653 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1NC(=O)c1ccccc1 916932575 YRRASIYHNAPHLX-SFHVURJKSA-N 466.324 5.515 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)cc1 916942528 LTNYKUANNHADKI-ZOXUKVPXSA-N 462.502 5.092 30 20 JKED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916967705 WTIVTSLBHRBHMR-HXUWFJFHSA-N 482.414 5.230 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)s3)C2=O)c1 917673958 KKRWYADHQDCGEF-QFIPXVFZSA-N 495.626 5.234 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cccc(C)n2)cc1 917684559 GNZDNWDNALJJPB-QFIPXVFZSA-N 495.004 5.213 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 917700617 MCIDRAPKHJNBBZ-LJQANCHMSA-N 457.477 5.362 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2c[nH]c3cc(Cl)ccc23)cs1 920068543 RCVUBNHGQUJVKO-UITAMQMPSA-N 456.354 6.512 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)SC2=Nc2ccccc2F)no1 920353217 DOFKVVSYAPWJEJ-IBGZPJMESA-N 490.919 5.075 30 20 JKED Cc1ccc(OCc2nc(C=Nn3cnnc3SCc3ccc(Cl)cc3)cs2)cc1 920368214 IRVZCHLHXCUATL-UHFFFAOYSA-N 455.996 5.450 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C(=O)Nc2ccccc2F)C(C)C)cc1C 920892393 MEPKPXKUIHFNDH-XMMPIXPASA-N 462.525 5.040 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N/C[C@H](O)c1ccccc1C(F)(F)F 920990769 BRWLYCKODOLDOU-YYMLYZOBSA-N 467.079 5.089 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC[C@H](NC(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785810176 GGRMBHCOBJWIBZ-CVDCTZTESA-N 481.637 5.170 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-n4ccnc4)ccn3)CCC2)cc1 1785843159 ULYARGPKZCIBHA-UHFFFAOYSA-N 457.578 5.007 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)CCC2)cc1 1786106143 MJFVSQYCVRIDSR-HYBUGGRVSA-N 495.664 5.534 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc2)CCC1 1786156700 IJYXVNZVSIYRLU-GOSISDBHSA-N 457.615 5.026 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)c1 1787353642 DTAQCCTUPASCAR-KRWDZBQOSA-N 492.501 5.789 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3scnc3C(F)(F)F)cc2)CCC1 1787576292 UDURGAWNTWQXGM-UHFFFAOYSA-N 459.440 5.121 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)CS[C@@H]3CCCCO3)cc2)CCC1 1789550410 RDRMYIBIUWAFCN-RUZDIDTESA-N 486.754 5.431 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789994676 LHAJDRQQHFNSMI-LJQANCHMSA-N 483.568 5.767 30 20 JKED CO[C@](C)(C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1)c1cccc2ccccc12 1790143609 FPZHOZGPCJRTLL-LJAQVGFWSA-N 492.579 5.349 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)cc3)CCC2)cc1 1790565955 IWZGPWAUGQJTPZ-LJQANCHMSA-N 488.563 5.436 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)(C)C)cc3)CCC2)cc1 1790568359 XFKUQQXYODKYAD-IBGZPJMESA-N 465.594 5.413 30 20 JKED Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785110 LPNXEEBDXBTLMO-UHFFFAOYSA-N 466.463 5.275 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5cn4)cc3)CCC2)c1Cl 1790832752 WQGIFYUWAFDHRS-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccc(Cl)cn4c3C)CCC2)cc1 1791254820 YSPOOWJPYNOPBO-INIZCTEOSA-N 450.970 5.256 30 20 JKED CC(C)(Cc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1792997016 WFTFIUVJRQMGOQ-NUNAXRQHSA-N 483.534 5.098 30 20 JKED CC1(C)CCc2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCCC#C[Si](C)(C)C)c2O1 1798419933 PTUAUWBZUWAISN-NUNAXRQHSA-N 480.725 5.093 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1c[nH]c3cccc(Br)c13)C2 1798590903 CUFUAVFXVDSBDA-REPLKXPHSA-N 486.454 5.104 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccccc4)nc4ccccc24)C3)cc1 1799666527 OXIHYKVPQVOLHI-QEIWAGNOSA-N 486.575 5.339 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2cc(Br)cnc12 1801116417 XACGHPPOZJXJLF-PLACYPQZSA-N 482.422 5.018 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)COc2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1802492829 QQLZYDFVLBHGSH-AZGAKELHSA-N 477.649 5.084 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1802497733 ZIRDZNZMGBDRHZ-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)cccc3[nH]2)[C@H]1c1cccnc1 1802500091 WHYQVEQCMRUOBW-BWKNWUBXSA-N 458.606 5.183 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@H]1c1cccnc1 1803210717 JZQKBJCVWRLUFC-WTEVXDJOSA-N 481.587 5.162 30 20 JKED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1803524186 SDJOTUGHGBUTDZ-DQEVTTJGSA-N 478.536 5.068 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1C(F)(F)F 1803858908 BHLYJPQHVNVPSS-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1C(F)(F)F 1803892343 ZMMPSKLQYGMKRK-BJWYYQGGSA-N 456.936 5.603 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc5cc[nH]c5cc4Cl)CC3)C2)cc1 1804758783 BYWHUOZVBSIFPM-UHFFFAOYSA-N 489.019 5.171 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@@H]1c1cccnc1 1808834853 XRTIKAIUHUYMSZ-FENANZCXSA-N 498.627 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1810501734 COTIVLCRJAHCDC-GMAHTHKFSA-N 498.465 5.465 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)c(Cl)c2)[C@@H]1c1cccnc1 1810854980 ZYFFKGPTBKNPPL-XERREHJYSA-N 490.829 5.029 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c1 1811139093 KAEZANKUKPRRGL-IUBQTAPSSA-N 490.966 5.135 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@@H]1c1cccnc1 1811369392 VOSPTKDCQKQPJE-PXARDIRTSA-N 497.920 5.425 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812514483 UMIZGPXDKBUUIN-DNRSQYFGSA-N 492.063 5.631 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1813941779 XVKULXXCQQCDEE-JPYJTQIMSA-N 473.951 5.101 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)[nH]n2)C1 1814395432 UEWYBEOWOORTRP-SFHVURJKSA-N 454.983 5.550 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)[nH]n2)C1 1814397873 YAADHNYKABDGTA-DEOSSOPVSA-N 457.578 5.089 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c1 1814622687 CTIRRTCRNXHKCU-IVZQSRNASA-N 479.943 5.449 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1815207141 SDGHBGWLBDJKLI-HXUWFJFHSA-N 484.000 5.142 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)[nH]n1 1815653872 KCROIRVAGRQWMV-NSXLHWASSA-N 454.640 5.151 30 20 JKED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 1817406891 GLUTWCZJCBFWBA-MRXNPFEDSA-N 488.034 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[nH]n1 1819303957 USEYYXSSSRDMMX-RCZVLFRGSA-N 487.604 5.488 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)n[nH]1 1819408763 BOJICXSFLQZKFF-QQUTXWOLSA-N 464.635 5.282 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)[nH]n2)c1 1820487081 LWSPBWGFKCOXNY-FQEVSTJZSA-N 485.441 5.059 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)n[nH]2)c1 1821083480 OJKABULSRKWKFR-HXUWFJFHSA-N 485.441 5.059 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)cc1 1821182673 WTFDZXVPEBLGKC-VWLOTQADSA-N 463.541 5.249 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1821929699 YKKZHSADGMXVAA-ACJLOTCBSA-N 479.806 5.344 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)[nH]n1 1822395955 GTKRZJSQBYQMBF-MRXNPFEDSA-N 471.772 5.017 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)c12 1823216841 OYVAADWJNAQKCH-GAJHUEQPSA-N 496.571 5.146 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)CC1 1823292524 MQEKNFVECKKDSB-CVDCTZTESA-N 475.593 5.121 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3Cl)CC2)cc1 1823683005 OXVAVPUXBSRFGX-QFIPXVFZSA-N 470.038 5.139 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1823750716 FWTGUHDNZIWJCV-HSZRJFAPSA-N 491.717 5.294 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)ccc2F)CC1 1823931443 BUXQCLYGMVDOBI-HRAATJIYSA-N 465.407 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccc(C)cc2)CC1 1823948035 TWYIWUAPCLGBHW-FTJBHMTQSA-N 452.639 5.152 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1824502281 DYOVWFSETZQEEJ-VWLOTQADSA-N 484.040 5.104 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1825202019 HGXCOOQQXMVAKN-SANMLTNESA-N 477.674 5.113 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc(C(F)F)c3)CC2)c1Cl 1825404187 GIWLXOUXZBTYEE-NRFANRHFSA-N 486.950 5.091 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)c1 1827876055 UJYCUIOMHRAFFM-MUUNZHRXSA-N 492.623 5.476 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1)c1ccccc1 1827986963 PWVGWRPECAMTGH-GOTSBHOMSA-N 467.009 5.364 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)cc2c1 1828524415 LTIOCLGQVGLEPW-SANMLTNESA-N 499.611 5.179 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cccnc3n2)CC1)c1ccccc1 1828531611 NANKUXGDMFIPSR-XTEPFMGCSA-N 494.639 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Sc2cccs2)CC1 1828826230 AANUGZFQQGUDHU-NNWRFLSQSA-N 460.709 5.617 30 20 JKED O=C(c1ccc(-c2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828917753 DLXRJZLMKJQUMV-SHUIIVGSSA-N 486.660 5.059 30 20 JKED O=C(c1ccc2occ(Cl)c2c1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828949534 ZWPBTPCNKDKJFB-DEOSSOPVSA-N 497.035 5.018 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1)c1ccccc1 1829032035 IFZVVXHPWUUSCF-LOYHVIPDSA-N 493.651 5.665 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1829068502 ZJWMBVQHDLZHJS-NNAHLOSHSA-N 454.577 5.331 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1829069338 WTFNLMWNNLABBH-DEOSSOPVSA-N 453.602 5.533 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)CC1 1829180245 IJBRYVHINJSTIA-LJQANCHMSA-N 466.453 5.614 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)CC1 1829390537 WBKFLHGOVJCTTD-TZIWHRDSSA-N 463.544 5.102 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(Cl)cncc4s3)CC2)cc1 1830013360 ZWWVPVVUVJMYKD-QFIPXVFZSA-N 493.032 5.368 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCCC2)CC1 1830357925 IBWAVHUSQZAHIH-DNQXCXABSA-N 489.701 5.046 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)ccc3NC(=O)OC(C)(C)C)CC2)C1 1830802136 GXGJHTLVEWYVRX-RUZDIDTESA-N 495.664 5.542 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978962 ZKRVEFMABVFQHW-DEOSSOPVSA-N 491.657 5.580 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 1831374933 VUWFEGWSEKIJDJ-UZLBHIALSA-N 465.407 5.034 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1831851454 DSEHLMZTGXGCKQ-RUZDIDTESA-N 487.669 5.933 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1)c1ccc(O)cc1 1831927476 XCRHBKFCQZVPIK-RPLLCQBOSA-N 476.661 5.089 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)cc1 1832556068 NNOWMRZRPLQOLK-MHZLTWQESA-N 455.602 5.177 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832629115 JKZZLULJHDQZQI-YIXXDRMTSA-N 487.644 5.243 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1832635496 HZBZTNMCAQLJGX-IPMDKULASA-N 476.646 5.025 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 1832699757 NBCWTXKNAIBCRL-MHZLTWQESA-N 466.585 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)CC1 1836697261 CSBIVEGRRYAEDI-UHFFFAOYSA-N 485.068 5.139 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 2625938 ZNDPILXYRXDATQ-QFIPXVFZSA-N 490.471 5.359 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccccc2CC)c1C 10168347 WYRCDSCTHSFVSI-UHFFFAOYSA-O 478.638 5.326 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Cl)cc2)cc1 10832778 VXYFQVNIBTWIJN-UHFFFAOYSA-O 451.015 5.233 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 11089519 VATXHWLQJXCPOG-UHFFFAOYSA-O 482.025 5.629 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 11262908 RLGDADDTRRRSRD-UHFFFAOYSA-O 460.406 6.161 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc1 15238162 ZNBULCPZPKACJB-HSZRJFAPSA-N 491.016 5.245 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)nnc1-c1ccc(Cl)cc1 15276225 DZOHJWJCDXOFKX-UHFFFAOYSA-N 468.932 5.740 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 15501124 DISZRDDCPCOPLE-AWEZNQCLSA-N 490.368 5.072 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)c2ccc(C#N)cc2)n1CCc1ccccc1 18251287 GXDTVEZTGFDLGI-UHFFFAOYSA-N 454.555 5.043 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)cc1 20071909 GLVOXLPPJQVBEW-UHFFFAOYSA-N 498.395 5.690 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cc(C)ccc2C)cc1 22729688 OTIIGGCRKJVUQV-UHFFFAOYSA-O 467.605 6.824 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22802173 ZRNXTWKTZVTMDB-UHFFFAOYSA-O 483.604 5.330 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 78719899 DAELJQFVAPCECD-NIYFSFCBSA-N 453.542 5.289 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(Cl)ccc2Cl)=C(/S)Nc2ccccc2Cl)c1 98069601 AEHLLUGPZBWFSD-UHFFFAOYSA-O 450.798 6.294 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 105634662 LQKIYPVJEHISFD-UHFFFAOYSA-N 480.600 5.035 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccccc1OC 108966968 OCFQVAQWFZCSHH-UHFFFAOYSA-N 474.373 5.789 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)o2)cc1 116525038 MWFGBGQZRFHSIY-UHFFFAOYSA-N 488.525 5.149 30 20 JKED CCOc1ccccc1[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)NC(C)=O 303235354 ZWSLSDCMBFUTKX-NOZRDPDXSA-N 475.976 5.600 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 478942701 YSUWUNKACLZAEM-UHFFFAOYSA-N 478.596 5.387 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487452509 YEKDUNXECQNSOO-QFIPXVFZSA-N 498.530 5.099 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 493039082 XXGGOXIFFQNIBU-AWEZNQCLSA-N 476.583 5.205 30 20 JKED COc1cccc(/C=C(/CC(=O)N[C@H](C)c2ccc(C#N)cc2)c2nc3ccccc3s2)c1 499238289 SLTUFZQEOZXIOL-QWQBBLJPSA-N 453.567 5.985 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CC(C)C)c1 500151497 BDGZPCXATLELTC-HXUWFJFHSA-N 461.027 5.372 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1 501020586 MHFJSVRLOFJMES-UHFFFAOYSA-N 460.493 5.006 30 20 JKED COc1cc(CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc(OC)c1OC 501149415 KCOCWGXQXYAHRS-UHFFFAOYSA-N 462.521 5.198 30 20 JKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c12 501736928 SUJKCIISJYDUEQ-UHFFFAOYSA-N 485.588 5.051 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)c1 502660685 GEERFAOLRXIDMW-UHFFFAOYSA-N 474.948 5.887 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 505623581 WUGAYPZMEACKIP-UHFFFAOYSA-N 491.572 6.775 30 20 JKED N#CCc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2I)cc1 506155631 LAEZUWGTJVBKKO-NRFANRHFSA-N 485.300 5.407 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 508236067 MSTQOAMJCJEVIF-UHFFFAOYSA-N 481.474 5.245 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 508251625 LRDYLQIBSKJSKF-SFHVURJKSA-N 472.545 5.665 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2nc3cc(Cl)ccc3s2)cc1 508275566 PUMJDKIOPCHUPS-UHFFFAOYSA-N 464.934 5.944 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 509586295 HQPNRFAULQXYQH-UHFFFAOYSA-N 478.346 5.613 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1Cl 510022693 GCUWZLJLKFORLR-JYFHCDHNSA-N 452.945 6.302 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)N(C)C)c1 510023826 PEOSQMVVWSMJQD-NOZRDPDXSA-N 462.981 5.428 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCCC2)nnc1-c1ccoc1C 510342573 OCLDHDULHQLULX-HSZRJFAPSA-N 450.608 5.562 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 510694276 WYPMJCBOTHKPKY-UHFFFAOYSA-N 459.933 6.131 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 510905923 JGLPEIBMWYFFEU-UHFFFAOYSA-N 493.567 5.059 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 511355670 RUBDAQUICPZPOG-UHFFFAOYSA-N 483.568 5.467 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 512558933 IIDSQZQKZVGCOB-SFHVURJKSA-N 494.511 5.783 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c1 515881676 DYESDTLBHJHZMQ-VWLOTQADSA-N 473.598 5.154 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc12 516140368 QKCKLFKIZCWGLN-UHFFFAOYSA-N 490.357 5.836 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](C)c1cc2ccccc2o1 517793509 RFONEBPAIYFSAK-FQEVSTJZSA-N 481.552 5.822 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)n1 518662589 JPZAJDMDOJUMFM-OAHLLOKOSA-N 470.963 5.172 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 518683573 YEAWKSJRZWLLFI-YWZLYKJASA-N 466.607 6.400 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 518747732 WPBPKQVLCUYCDP-KRWDZBQOSA-N 456.011 5.301 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 519437523 HWYYARDNBITCQQ-SFHVURJKSA-N 479.499 5.022 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 519500512 ISAQEEKDVOBORU-HXUWFJFHSA-N 474.948 5.026 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCCOc3ccc(S(C)(=O)=O)cc3)c2C#N)C1 520693478 VRWYDPDVPSEEBZ-QGZVFWFLSA-N 488.675 5.362 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 521024178 PSRMYEANHULBTC-OAQYLSRUSA-N 458.533 5.528 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc3ccccc23)cc1 522445025 RGIAXDCWTZWTOY-GOSISDBHSA-N 465.509 5.328 30 20 JKED CCc1cccc2c1OCC[C@H]2NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 523968071 WDVDXVHUGQMTIK-JOCHJYFZSA-N 475.932 5.145 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2cc(C#N)ccc2OC(F)F)nnc1-c1ccccc1 524114014 KZZGPLQICMTAAX-CQSZACIVSA-N 457.506 5.120 30 20 JKED COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 524200249 MPTOJTLUHPXLJF-JOCHJYFZSA-N 490.991 5.394 30 20 JKED CCCCc1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 551740801 SRGFMGZATZNTML-QFIPXVFZSA-N 483.540 5.408 30 20 JKED C=CCN(C(=O)CSCc1ccc(C#N)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603728892 PBRFBFYJZZJGIU-UHFFFAOYSA-N 450.545 5.042 30 20 JKED C[C@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604444537 RCFVKNCFPRHCTI-CQSZACIVSA-N 469.875 5.440 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 608915496 QZGZMAGBLLBQSK-UHFFFAOYSA-N 470.451 5.865 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(OC)c1OC 609079448 CWYZYOBTQNFDQH-UHFFFAOYSA-N 471.557 5.513 30 20 JKED Cc1ccc(I)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609104901 QJBREZRKEQKNND-UHFFFAOYSA-N 486.284 5.442 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378435 IANOYIGMXFRZPF-LJQANCHMSA-N 483.943 5.758 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 609430311 MMNSQWKCCJKZNU-INIZCTEOSA-N 486.018 5.787 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 609434959 GZSHZNGBVYNHPS-CYBMUJFWSA-N 451.379 5.490 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)oc12 609435706 HJIPLIQXPLLCBB-CVEARBPZSA-N 451.548 5.042 30 20 JKED Cc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5c(Br)cc(F)cc54)c23)cc1 725827488 RWSCKZUYTYYFCN-UHFFFAOYSA-N 482.338 5.337 30 20 JKED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1ccccc1 726109743 PPHIEISHBABHIS-XFABDPPBSA-N 484.625 5.104 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 726391907 CSGZKYIFAXXGLF-YJYMSZOUSA-N 481.952 5.004 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(F)cc1 726398294 KNTDBSMMYPVBQH-BFUOFWGJSA-N 481.952 5.004 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726409917 XCPDXEBMRMHUMG-NRFANRHFSA-N 482.993 5.175 30 20 JKED Cc1ccccc1/C(O)=C(/C(=S)N=C1C=CC(=C(N)O)C=C1)[n+]1ccc(Cc2ccccc2)cc1 726569862 MRXANBWXRCCIMF-UHFFFAOYSA-O 480.613 5.380 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1=S 726591890 HQNWXOPWRLFNJO-OAQYLSRUSA-N 490.608 5.217 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccn3)SC2=S)cc1Cl 726626272 CQPJASBWHVEPOP-SRZZPIQSSA-N 463.971 5.591 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)cc1Cl 726889654 FWRFINDGHKLZCV-SFHVURJKSA-N 499.942 5.488 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727232925 AQQVLOZREWDIOP-AEFFLSMTSA-N 468.431 5.613 30 20 JKED CCN(C(C)=O)c1nc(/C=C/C(=O)c2sc(-c3ccc(Br)cc3)nc2C)cs1 727780301 KBZCFRJBTCNJIT-MDZDMXLPSA-N 476.421 5.606 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)cc1F 728780739 YBHYPHHHRWNWBA-FQEVSTJZSA-N 490.963 5.581 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](c4ccccc4Br)C3)c2)cc1 729571523 XCIZVQHSXHNOEM-QHCPKHFHSA-N 478.346 5.718 30 20 JKED N#CCn1c(C(=O)OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)cc2ccccc21 729767621 PDNMCKIKIZHOJN-QFIPXVFZSA-N 492.491 5.039 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2cocn2)C1=O 730716364 WEHXOMBDWHWEDX-NRFANRHFSA-N 498.992 5.114 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)c1 730718006 DUNVHXOEVNKVGF-JOCHJYFZSA-N 462.575 5.014 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 730994718 MCEIWAZBXZGWHL-AWEZNQCLSA-N 459.402 6.051 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(-c2cccc(Cl)c2)n1 731068702 CYGAPTVJFPMYJY-CQSZACIVSA-N 471.991 5.511 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Br)cc1 731071670 VTVCITPVZGSZGQ-OAHLLOKOSA-N 475.408 5.303 30 20 JKED COc1ccccc1-c1ccc(CN(C(=S)Nc2ccc(C#N)c(Cl)c2)C(C)C)cc1 741500812 AKPULRNDAAXCNS-UHFFFAOYSA-N 450.007 6.495 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2sc3cccc(F)c3c2C)n(Cc2ccco2)c1C 742348314 JYKCUDJPGFRRJS-UHFFFAOYSA-N 465.506 5.076 30 20 JKED COC(=O)N1C/C(=C/c2ccc(SC)c(OC)c2)C(=O)/C(=C/c2ccc(SC)c(OC)c2)C1 746342587 WTWREDOPNRBXLJ-OMYAATJGSA-N 485.627 5.266 30 20 JKED COc1cc(C(C)=NNc2cc(C)c3cc(Cl)ccc3n2)ccc1S(=O)(=O)C(F)F 747040524 CPFYBOGDNANIIN-UHFFFAOYSA-N 453.898 5.038 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cscn1 747603758 UXVKQFURWCNSDM-OAQYLSRUSA-N 499.061 5.828 30 20 JKED Cc1ccc(NC(=O)c2sccc2C#N)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 748052999 AVBWKNGISHAOFE-UHFFFAOYSA-N 479.555 5.296 30 20 JKED O=C1Nc2c(cccc2C(F)(F)F)C1=NNc1ncnc2scc(-c3ccc(F)cc3)c12 767180237 QCFWWZJKCYAJOO-UHFFFAOYSA-N 457.412 5.285 30 20 JKED CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCc4nc5ccccc5c(=O)n4CC#N)o3)cc2C1 778585047 NZXSPOVYCVJQTE-INIZCTEOSA-N 491.642 5.475 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(=O)oc2cc(C)c(C(C)C)cc12 792039117 FWMCUTWETIWGND-UHFFFAOYSA-N 466.651 5.323 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CC(F)(F)F)C1=O 799210859 DMPGEJMVXCICOZ-IBGZPJMESA-N 479.524 5.306 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 837526100 YPWSFAJXAJLPCK-HRAATJIYSA-N 464.978 5.457 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccccc1C 838482283 KUKXVGLSHWJDIZ-XMMPIXPASA-N 489.597 5.173 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@@H](C)c1ccccn1 838534357 ITRREAVPIDSNET-YADARESESA-N 488.613 5.429 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc3n(C(C)C)c4ccccc4n23)c1 854408385 ZUFJMGQMJLIBTM-IBGZPJMESA-N 460.607 5.309 30 20 JKED N#C[C@H](C(=O)COc1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccc(Cl)cc2)cs1 915102290 VOZBTPYIHWIEIJ-LJQANCHMSA-N 451.935 5.067 30 20 JKED COCCOc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1OC 915993483 RFDFXMFJRKJGOJ-VMPITWQZSA-N 457.866 5.438 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2cccs2)cc1OC 916137015 HRYHAORTOJQLFI-UITAMQMPSA-N 457.935 5.332 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccco3)C2=O)cc1OC 916208051 RWRGTBYVZAMHNY-QHCPKHFHSA-N 493.585 5.074 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1 916383779 SCBDXNHMBPMWTN-IAPPQJPRSA-N 473.532 5.537 30 20 JKED CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1OCC(=O)N1CCCC1 916680466 HTWASQOLFUTWFX-KAYWLYCHSA-N 496.611 5.616 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2cc(Br)ccc2o1 916946482 WDNPOFKHFULOIB-AWEZNQCLSA-N 452.091 5.463 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)COc2ccc(C3SCCCS3)cc2)cc1 916953131 AKXCFIURLFKUFA-VGSWGCGISA-N 468.644 5.795 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)C2)cc1 916995717 GKOWGQXGGXLPOV-FXAWDEMLSA-N 498.435 6.154 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1C 917041068 OSFUQEXXJSEQOD-QGZVFWFLSA-N 451.502 5.203 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cs1 917559501 KELGXLVQSFEHJM-FLIBITNWSA-N 482.989 7.245 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)cs1 917559640 LPIGDAWPXLCIQT-WQLSENKSSA-N 467.541 5.992 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1 917560645 UGZWTMGHKVESMA-DHZHZOJOSA-N 466.534 6.731 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/SC(=Nc3ccccc3C)NC2=O)cs1 917564076 WGERFUQRRRYKMG-YBFXNURJSA-N 452.536 5.167 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2cccc3ccccc23)n1 917652489 GSFYQOVSEGCXKS-AREMUKBSSA-N 494.620 5.381 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](c1ccccc1)C1CC1 917702587 GFWWKNTZUOBPAZ-RSXGOPAZSA-N 480.593 5.670 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2Cl)cc1 918052756 OYDVDYVPCXPZFS-QFIPXVFZSA-N 477.948 5.923 30 20 JKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 919652527 IMZMOSDQNLMIPK-MUUNZHRXSA-N 464.569 6.235 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 919666297 JPWROODIZMNSTD-IBGZPJMESA-N 475.372 5.352 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(C2CC2)[C@H]2CCc3ccccc32)c1=S 919943724 SBFNZBMUYRLDON-XUZZJYLKSA-N 460.603 5.222 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)SCC(=O)Nc3ccc(C)cc3)n2)cc1 920138470 GZXYETQTUWTWLZ-JXFKEZNVSA-N 465.600 5.064 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CCO2)C1 1778883473 LCBFTVNDPKQSRM-LYZGTLIUSA-N 489.641 5.108 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](CC4CCCC4)NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785804622 QNLLCUKZDFVKNP-DEOSSOPVSA-N 495.664 5.560 30 20 JKED CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786040642 CRUJQJVTSUDGMD-UHFFFAOYSA-N 470.573 5.188 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786576779 UIGCHRPJSLXTEY-HXUWFJFHSA-N 491.579 5.122 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CCCC3)cc2)CCC1 1787610432 UZMUMIMRMDGHSX-HSZRJFAPSA-N 481.637 5.008 30 20 JKED CC(C)CC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1 1787664269 FHNRXLSJOHJVIR-UHFFFAOYSA-N 454.368 5.115 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4cc(C)ccc4n3)cc2)CCC1 1788940412 MVNWBSBBHCAQCC-UHFFFAOYSA-N 457.574 5.274 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4cc[nH]c34)cc2)CCC1 1788990792 GXCLGNHYXZUPSE-MRXNPFEDSA-N 496.405 5.269 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1789560744 LXVJQSLIDZIWAI-QRGYCXFASA-N 498.583 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789622777 XKERROJELIUYOM-UEVCKROQSA-N 495.664 5.511 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)CCC1 1790333681 UKRVHBYXQAZXSV-JOCHJYFZSA-N 499.558 5.182 30 20 JKED CCC[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)CC1 1791367264 NXTIYXKIFLTNRR-MEMLXQNLSA-N 452.643 5.009 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)CCC2)cc1 1791589479 DGMZIFWEDMINRH-RTWAWAEBSA-N 453.380 5.263 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1)c1ccc(O)cc1 1791642705 MLGJDLOTPVEYOB-NRFANRHFSA-N 492.579 5.213 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205768 RJUFFSNXQZMQLF-FQEVSTJZSA-N 491.579 5.025 30 20 JKED COc1ccc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792239900 DWDPVRNQEZHYFN-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccc(Br)cc34)CCC2)cc1 1792263949 MLWSLHJXRXBWBJ-UHFFFAOYSA-N 478.390 5.020 30 20 JKED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793061322 UYFBTUMKWMGDNU-VNEITRSASA-N 487.084 5.196 30 20 JKED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1793616390 NTGFFFNACBCQBL-RSOWOKRSSA-N 488.653 5.838 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)cc1 1799668190 DOWNQYAXCUDTBP-BJWYYQGGSA-N 462.764 5.084 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1802374253 WMHKFXFJKRRUBV-HYBUGGRVSA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@H]1c1cccnc1 1802493829 YMFOYKRNFNXARK-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cc(F)ccc3OC)cc1Cl)C2 1802629476 IYJXVRKMFNHXOY-KOUNCHBCSA-N 497.010 5.600 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1803088817 HIJUBWSGIYHVJY-XTEPFMGCSA-N 459.634 5.222 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)C1 1805456837 KUEHXMPWIKMKEY-UHFFFAOYSA-N 455.549 5.059 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)cc1 1805948098 UVWQOUUHPVTZNZ-UIOOFZCWSA-N 494.752 5.081 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1810181817 LHFLVSNLNGHSHE-ZRIRBKMQSA-N 477.624 5.435 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[C@@H]1c1cccnc1 1810502278 HGRHJBUEMUQZAT-CAOCKLPOSA-N 497.083 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810503573 QOCNCGQUCXQLRI-WIOPSUGQSA-N 498.067 5.834 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1810503982 UIRSUAYKSOTMRK-WMZHIEFXSA-N 464.635 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1810504264 XKNKMJRJWNAJAV-DVECYGJZSA-N 479.024 5.528 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCCC4(CCN(C(=O)CCCC#C[Si](C)(C)C)CC4)C3)c2O1 1810721346 XIIUBTMTTVKMEK-UHFFFAOYSA-N 494.752 5.296 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1811949093 QJEIOJJXIQBZKE-YMPZKCBVSA-N 471.523 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[C@@H]1c1cccnc1 1812449059 UDUWDPXOBLIJBP-XYOFRCHLSA-N 487.566 5.208 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812508287 YDYFADZHEWZYBM-RDGATRHJSA-N 485.550 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1814261297 QANHWUKDBDEKSA-NHHIYNKISA-N 484.644 5.583 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1814568976 BVPCAUXHLNQZHY-IBGZPJMESA-N 472.574 5.028 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)[nH]n1 1814831222 VQZWUVAVUWOVCT-JOCHJYFZSA-N 484.000 5.096 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCc3ccccc3F)n[nH]2)cc1 1814850974 IWSRPTNMMILVME-VWLOTQADSA-N 487.579 5.068 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)[nH]n1 1819307015 LVWDNUCWRBHGQX-WMLDXEAASA-N 462.381 5.186 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4scnc4c3)[nH]n2)c1Cl 1820218813 DGADWKMZVLMHCH-LJQANCHMSA-N 490.976 5.164 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)[nH]n2)cc1Cl 1821027027 QLQXZDDSYHZIKW-RXVVDRJESA-N 479.046 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3cc[nH]n3)cc2)n[nH]1 1821231771 IMFMUNKRFRDWSS-QFIPXVFZSA-N 460.582 5.098 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3N3CCCCC3)[nH]n2)c1 1821325583 JUGVPQXGYBECGH-AREMUKBSSA-N 496.615 5.200 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)cc(C(C)C)c2)[nH]n1 1822401412 PBMWUVORVCTTQC-LJQANCHMSA-N 459.388 5.178 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1822585053 LTGROWNSFHMYEJ-IBGZPJMESA-N 491.817 5.325 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1823132573 JEMGCCAVCOVUCB-FQEVSTJZSA-N 498.370 5.216 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)[nH]n2)CCC1 1823378308 IPAYNFKECKCSAH-FQEVSTJZSA-N 482.544 5.151 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3cccc(C)c3)CC2)C1 1823700317 QXPYGQRMOZXGKN-SANMLTNESA-N 457.618 5.257 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)C1 1823701510 LREVBHUYXVPZAH-OAQYLSRUSA-N 452.492 5.044 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)cc1 1823811985 HDMHBKXXQYQOLG-YULOIDQLSA-N 475.677 5.327 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1823885594 DPRKGMNLQLVRLY-HSZRJFAPSA-N 496.449 5.385 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c(Cl)c1 1823899223 RUFKXWWLTVWDLH-HSZRJFAPSA-N 488.390 5.551 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1824051515 OCBQKBYNPHENMF-SANMLTNESA-N 496.026 5.146 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1824500734 GSZURXKVMIEHDU-LJAQVGFWSA-N 490.688 5.683 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)cc1 1825853247 VFWDHALHTHGDDZ-NRFANRHFSA-N 470.038 5.139 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CC1 1826682793 ANFQETHINUOJBL-RUZDIDTESA-N 477.555 5.169 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1828826486 FCJCTDUHTGBRPL-ISKFKSNPSA-N 487.648 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1828830162 MDEVYHZVIGZYGU-BJKOFHAPSA-N 492.582 5.716 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 1828830226 RZTUSECSHCULHM-DQEYMECFSA-N 450.623 5.013 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829008918 WTJTUOUVMSEFMS-YAZRVPCTSA-N 480.008 5.450 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnn(Cc3ccccc3)c2)CC1 1829305423 IBZIFPHDRHCJLY-AREMUKBSSA-N 476.665 5.157 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC(F)(F)F)CC2)c1Cl 1829687771 GLTSHWBVQBPGFY-LJQANCHMSA-N 469.935 5.178 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(F)CCCC=C3F)CC2)c1Cl 1829690754 CVKLJLVRQCPWEM-NBGIEHNGSA-N 475.967 5.191 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829959427 SQSVZEGEWFJYJR-AREMUKBSSA-N 473.617 5.283 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)C1 1830445331 QJZQQDVHWHYXMV-HHHXNRCGSA-N 485.628 5.138 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720918 NCOWQZRIRNSQOK-FQEVSTJZSA-N 465.972 5.126 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1831841002 ULDXQPCVMZDDLI-KDOFPFPSSA-N 495.508 5.215 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1832826797 BZCVAMNPKRFGKV-SANMLTNESA-N 467.613 5.253 30 20 JKED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)CC2)c1 1838579916 VXWFKQVCTOOSRR-UHFFFAOYSA-N 493.607 5.151 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cc4cccc(F)c4)cc3)CC2)CC1 1838749618 DLBSOMLOCWFNCH-QFIPXVFZSA-N 492.635 5.241 30 20 JKED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)C1)c1ccccc1 1843491367 VMQGBFVIYRIHQF-OAQYLSRUSA-N 485.550 5.102 30 20 JKED CC(C)n1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccc(Cl)cc1Cl 9826656 RORLIOMSBAWDOB-UHFFFAOYSA-N 480.808 6.089 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCc3csc(-c4ccc(Cl)cc4)n3)nnc12 12427533 PNORRFDJUVDYSN-UHFFFAOYSA-N 465.991 5.299 30 20 JKED Cc1oc2cc(OS(=O)(=O)c3ccc(C#N)cc3)ccc2c(=O)c1-c1ccccc1Cl 14099895 SDQMZDAICNPSDH-UHFFFAOYSA-N 451.887 5.061 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 16246828 UPMDMAKDQUSRLO-LLVKDONJSA-N 468.797 5.606 30 20 JKED CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3cc(Cl)ccc3C#N)[nH]c(=O)c12 17188422 HTYCUAIZBSCELC-LLVKDONJSA-N 461.012 5.138 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 21119281 HEKPYHOZSXTGEC-LJQANCHMSA-N 488.588 5.969 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccccc1OC 21123204 WOWXXTKRRBURRU-DEOSSOPVSA-N 470.598 5.920 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccc(F)cc1 21338210 DUQBKOCTPKAXCS-INIZCTEOSA-N 452.555 5.228 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)CC1 22078549 UJTANOUACWIBKA-COYMHYPVSA-N 488.057 5.257 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 22415601 XJJAEEXNANDYSF-UHFFFAOYSA-N 459.578 6.219 30 20 JKED O=C(/C(=C(\S)NC1CC1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 22688307 XFYSKRGXPOLYDB-UHFFFAOYSA-O 456.418 5.563 30 20 JKED CCOc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2cccc(Cl)c2)cc1 23537310 OKMVHYJEWSVZQF-UHFFFAOYSA-N 496.017 5.650 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(CC#N)c2ccccc2)c(C)c1 23867514 CQFAYMUSPONPKT-UHFFFAOYSA-N 467.598 5.124 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nnc1-c1cccc(C)c1 25047083 FYTKQZCPHUJEAH-UHFFFAOYSA-N 462.575 5.212 30 20 JKED C=CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1[C@H]1COc2ccccc2O1 26030311 HOEWDEUKAVYZTF-HXUWFJFHSA-N 450.495 5.063 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 31282863 DHGFTTOGVZQNKV-NRFANRHFSA-N 489.366 5.205 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nc2sccc2c1=O 36828144 HNUSFCVWYXCUMP-UHFFFAOYSA-N 454.602 5.077 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nc2sccc2c1=O 36855530 IQXMXXOWVCOXJZ-UHFFFAOYSA-N 482.656 5.640 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2csc(-c3cc(Br)ccc3OC)n2)n1 115498154 KSVVZRYUYSMNJP-UHFFFAOYSA-N 490.404 5.317 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1F 216104273 MBFQQAYXARJTSM-ZDUSSCGKSA-N 450.461 5.408 30 20 JKED C=CCn1c(Sc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)nnc1-c1ccoc1C 216464163 HSWIEQZCENFZHD-UHFFFAOYSA-N 488.642 5.917 30 20 JKED Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)C2)cc1 303223109 VLJXRCITECVUEQ-JOCHJYFZSA-N 482.584 5.120 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 498864548 KHYMWKYTRQUFDB-UHFFFAOYSA-N 489.959 5.107 30 20 JKED N#C[C@H](C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1nc2ccccc2o1 499207277 CQDJWWXXYOQHTB-CQSZACIVSA-N 470.838 5.664 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 501134060 LTTSTGNXPTYTLB-UHFFFAOYSA-N 491.551 5.301 30 20 JKED O=C(Nc1ccc(F)cc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502840466 GZEHAYGORCHGQM-UHFFFAOYSA-N 470.707 5.489 30 20 JKED Cc1c(C#N)c(S[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nc2c1CCC2 503247307 KYTOHFVNNZNVQH-OAHLLOKOSA-N 462.600 5.184 30 20 JKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 503309267 AYMZRMFNCZZALM-UHFFFAOYSA-N 487.162 6.003 30 20 JKED C=CCN(C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)c1nc(C(=O)OCC)cs1 504330334 ZEFLALUGCVVKET-UHFFFAOYSA-N 494.404 5.164 30 20 JKED COc1ccc(OC)c(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)c1 509903829 DAJCOODUOAHRAP-UHFFFAOYSA-N 471.557 5.545 30 20 JKED C[C@@H](c1ccccc1)n1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccccc1 510204986 DTMZMLQDXIBMAI-IBGZPJMESA-N 485.638 5.901 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cn2)c1 510683176 QDGNNZANWVUANO-UHFFFAOYSA-N 466.497 5.868 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511338266 QMOZKWDRUFPVTM-UHFFFAOYSA-N 453.464 6.014 30 20 JKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 513170321 JTEGGSGJAJWQJV-MRXNPFEDSA-N 474.826 5.764 30 20 JKED Cn1c([C@H](C#N)C(=O)c2cc(Br)ccc2OCc2ccccc2)nc2ccccc21 513668052 YIRNOCKQZBYHJG-LJQANCHMSA-N 460.331 5.405 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 513672107 OAJSCTPYCWXGBA-OAQYLSRUSA-N 464.550 5.707 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@@H](C(=O)NCc3ccccc3)c3ccccc3)c2)cc1 515526752 MGFXMEJSBQUIHN-GDLZYMKVSA-N 461.565 5.801 30 20 JKED CCCCCn1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2ccccc2c1=O 516713897 MMBMKDVMNKSFPI-NRFANRHFSA-N 467.554 5.072 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc2c(cc1Br)OCCO2 517460242 ABBSZOOAKZSORR-AWEZNQCLSA-N 493.448 5.344 30 20 JKED N#CC1CCN(C(=O)NC[C@@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)CC1 517917799 PCUIUKZRGMVXIC-FQEVSTJZSA-N 463.434 5.099 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCCO 519992801 QWAJZFCVMLJMHN-JTSKRJEESA-N 479.964 5.258 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccc(F)cc2)cc1 520004483 LWMYNSGSHRPKNE-MHZLTWQESA-N 495.510 5.343 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)s1 520005332 RVGPHJVBQGLECK-UHFFFAOYSA-N 471.538 5.481 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2Br)on1 520010857 PJMOYZAOIMBVTE-UHFFFAOYSA-N 454.324 5.378 30 20 JKED CN(C[C@H](O)COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 520586318 RMJLCGJJYLCMRA-NRFANRHFSA-N 465.937 5.045 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(=O)Nc1cccc(N2CCCC2)c1 523699873 RQTVBFMOSBQOPX-OAQYLSRUSA-N 497.599 5.081 30 20 JKED C[C@H]1CCCN(Cc2csc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)n2)C1 553364320 KRCYKDVQSGJNAG-SFHVURJKSA-N 462.644 5.791 30 20 JKED Cc1cc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)n(-c2cc(C(F)(F)F)ccc2Cl)n1 590772328 LLUIYGNTWUJLJW-UHFFFAOYSA-N 477.874 5.013 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 603924167 CEJBOGZPRXJLOD-UHFFFAOYSA-N 459.552 5.484 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1Cl 604137570 JXUXMTMHLFDGHO-UNMCSNQZSA-N 479.964 5.426 30 20 JKED CS(=O)(=O)Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)oc2ccccc12 608805380 VCBXLOYQOJRUSR-HXUWFJFHSA-N 478.957 5.539 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 608826314 SGHLWVACSHPSAX-UHFFFAOYSA-N 499.617 5.440 30 20 JKED CC(C)c1ccc([C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 608993466 CKDWMUJNWZUMDF-VWLOTQADSA-N 459.619 5.196 30 20 JKED N#C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(OCc2ccccc2)cc1 609027638 AHBOTHYAQZGOAG-AREMUKBSSA-N 473.532 5.115 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 609116046 ZXQZYDRFSNKIMW-UHFFFAOYSA-N 493.485 5.730 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 609358466 AGOSTZUCNSYKLP-UHFFFAOYSA-N 468.517 5.057 30 20 JKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1[N+](=O)[O-] 609434445 KTTHHRAJICMEOW-HSZRJFAPSA-N 488.500 5.463 30 20 JKED C=CCN(C(=O)Cc1csc2ccccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 611777595 KNIBNWCASIRSFZ-UHFFFAOYSA-N 468.625 5.190 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300312 AMJFXAZEPTWHKQ-AOOOYVTPSA-N 477.302 5.233 30 20 JKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 641912810 OIBBXMMCPIVWDB-UHFFFAOYSA-N 451.729 5.955 30 20 JKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1-c1ccccc1Br 726322156 SZVGZIYNLHYDQS-AWEZNQCLSA-N 491.172 5.723 30 20 JKED C#CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OCC 726626197 AVUCUQDATJQMHO-RGVLZGJSSA-N 454.960 5.028 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c2)cc1 728668515 WUUURTAKTVGDRS-RUZDIDTESA-N 498.535 5.032 30 20 JKED O=C1/C(=C\c2nccn2CC(F)(F)F)CCc2nc(-c3ccc(Br)cc3)sc21 728698616 OTAPABAQVGLKDC-XFXZXTDPSA-N 468.298 5.544 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)COc3ccc(C4SCCCS4)cc3)c2)cc1 729376000 ZWBJFJIIEGKGIB-UHFFFAOYSA-N 462.596 6.237 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ncccc3C)C2=O)c1 729633502 DWMZPDMMSWVHKM-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1cocn1 730718796 PTFVEYBTIWJKKE-JOCHJYFZSA-N 462.575 5.014 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cocn3)C2=O)cc1 730727585 SDAPQTUOLSRWSL-JOCHJYFZSA-N 462.575 5.267 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 730945314 QBCZMLZKBUHOOL-UBGULTHHSA-N 482.606 5.433 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3SC[C@H](C)C#N)cccc2c1=O 730990538 ZBNGEABSEWTPKZ-QGZVFWFLSA-N 454.551 6.273 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 731076940 CSZDQHHYQJTDJO-XYPHTWIQSA-N 463.386 5.673 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1F 743526248 UOCOYCKBIFNFLO-QGZVFWFLSA-N 464.349 5.034 30 20 JKED COc1ccc(Cc2nnc(S)n2N=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 744746884 MYOQWGMZISVCEA-UHFFFAOYSA-N 453.571 5.051 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@@H]2CCCO2)c(Cl)c1 745989113 LIYHBSSPTAUGCB-JXFKEZNVSA-N 490.000 5.235 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747112397 UEPMLNSMXDJJKQ-HNNXBMFYSA-N 460.342 5.016 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cscn1 747601828 HZWMVTQAPAINBC-LJQANCHMSA-N 486.569 5.199 30 20 JKED COc1cc(C(=O)/C=C\c2cc(Br)c(OC(F)F)c(OC)c2)ccc1SC 747614895 OSBLTKHCXAWFJB-XQRVVYSFSA-N 459.308 5.686 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cc1 747697087 ZOOSMLTVTPBJMZ-UHFFFAOYSA-N 496.535 5.662 30 20 JKED N#C[C@@H](Cc1ccccc1)OC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 750058947 SGTZFRAOOLFIRE-QGZVFWFLSA-N 475.353 5.086 30 20 JKED CCOc1cc(/C=C(\C(=O)Nc2cccnc2)C(=O)c2ccccc2)ccc1OCC(F)(F)F 750901963 GXYWYQSPRQOBDL-MOSHPQCFSA-N 470.447 5.326 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CC(F)(F)F)C1=O 799220466 CZJYWGNMBROMKV-IBGZPJMESA-N 479.524 5.306 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccs1 837302341 WHBQZFNRSAXPNG-HXUWFJFHSA-N 471.554 5.495 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N([C@H](C)c2cccnc2)C1=O 837638972 DIXXLXXZWGZWPG-DVECYGJZSA-N 488.613 5.429 30 20 JKED CC(C)n1c2ccccc2n2c(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)nnc12 847210415 SAWGEXGXOBRCRP-UHFFFAOYSA-N 464.620 5.198 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 912808644 ISMGKTNWKXZYRH-UHFFFAOYSA-N 465.560 5.282 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O)NCc1ccccc1 914538969 ZQRCIKFNMDKVCY-RUZDIDTESA-N 480.593 5.073 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915179153 AKQUCMQPGZZFLL-SANMLTNESA-N 481.577 5.419 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNC(=S)Nc3ccc(Cl)cc3Cl)cs2)cc1 915925827 YYUVZUSSCBWNST-UHFFFAOYSA-N 494.429 5.464 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 916056784 HYLDICMPOGVVOB-LJQANCHMSA-N 450.838 5.373 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(C)cc2)[n+]2ccc3c(c2)CCCC3)C=C1 916203009 KKLXXMWBDDBBLK-UHFFFAOYSA-O 473.618 5.746 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C(C)C)cc1 916204780 BTDCWXIRDCWLLT-OAQYLSRUSA-N 490.025 5.079 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccco2)C1=O 916204908 FPAWUKOVIMUXIJ-HXUWFJFHSA-N 487.940 5.241 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccc(F)cc1F 916209311 JLJJSFCYRHVJTE-IBGZPJMESA-N 495.498 5.469 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(F)(F)F)c1 916216958 AAMFLUWGVWBZHT-IBGZPJMESA-N 475.492 5.054 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc2ccccc12 916217988 ZGRIQLLNGNBRIW-XMMPIXPASA-N 491.613 5.235 30 20 JKED CCOc1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)cc1 916231530 IOPPKJGOGHMXJL-INIZCTEOSA-N 472.781 5.293 30 20 JKED COc1cc(C=NNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916268061 HIOPAFDLJNKPCR-UHFFFAOYSA-N 461.415 5.317 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cs1 916277125 UKGINRLRCSEUTQ-UHFFFAOYSA-N 489.413 5.564 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 916901797 QUNMPJRZURDGTA-QGZVFWFLSA-N 478.961 5.327 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 916904353 AYAZXDSBHGTJDA-JOCHJYFZSA-N 464.477 5.903 30 20 JKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 916976538 ROJLNDIIXWCVFG-QGZVFWFLSA-N 457.780 6.134 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 917430515 MTTYEDFPPZNSHK-GOSISDBHSA-N 479.581 5.296 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(N2CCCCC2)n(-c2ccccc2OC)c1=S 917485743 WILFTKFKQHGUNE-UHFFFAOYSA-N 479.650 5.056 30 20 JKED C=C(Cl)COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1 917559777 CHZFLELVWZRKCK-KPKJPENVSA-N 456.926 5.994 30 20 JKED CCCc1cc[n+](/C(C(=S)N=C2C=CC(=C(O)OCC)C=C2)=C(/O)c2ccccc2C)cc1 917606644 ALYASCQHXPYQHG-UHFFFAOYSA-O 461.607 5.819 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccsc3)C2=O)c1 917668314 VZZVZAASRSKAGT-OAQYLSRUSA-N 465.600 5.226 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917679221 FWCSGEVNAYRVJX-IBGZPJMESA-N 473.982 5.701 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)N(c2ccccc2Cl)C(=S)N[C@@H]1c1cccc(C#N)c1 918016500 FVSHZSGELNFECT-RUZDIDTESA-N 487.028 6.123 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 918710450 PCFKVMKAJHNFNS-UHFFFAOYSA-N 491.520 5.276 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 919667119 QEVLRPYHGWFLJW-GOSISDBHSA-N 479.876 5.319 30 20 JKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C\c1csc(-c2ccsc2)n1)C(=O)c1ccccc1 920065429 XOMZAXSFEBTRKQ-NDENLUEZSA-N 474.563 5.548 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c1C 920353764 RMJWGFFDYMCJOV-JOCHJYFZSA-N 480.565 5.208 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3CC)N(Cc3cc(C)on3)C2=O)cc1 920356253 OYDNTBLNQLOOEB-HSZRJFAPSA-N 492.601 5.105 30 20 JKED CCc1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc2cc(OC)ccc2c1 920826402 NRCYOBAXOAQJTF-UHFFFAOYSA-N 454.559 5.026 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1C 920893370 VMGYZYQCTXCYLO-LJQANCHMSA-N 478.980 5.110 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1C 920894793 VZDQITUOXVKZQI-MRXNPFEDSA-N 485.371 5.571 30 20 JKED CC(=O)Nc1cc(NCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)cc1F 921190727 BRHFUCYLGULPTC-UHFFFAOYSA-N 455.305 5.011 30 20 JKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921259148 JETIXWPVNAWWRW-CAOOACKPSA-N 481.452 5.053 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c1 923990915 FNSKXURSURNSSE-FQEVSTJZSA-N 475.593 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccc(C)cc3s1)C2 1779274518 XGYATPIDVXBMTN-YEEURNOCSA-N 466.647 5.106 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ncc(Cl)cc3Cl)cc2)CCC1)C(F)(F)F 1785790489 BKAWNZPEHPXEDI-UHFFFAOYSA-N 458.267 5.255 30 20 JKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)cn1 1786940588 ZDMFYSGJLAPWOW-UHFFFAOYSA-N 461.682 5.118 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5sc(N)nc5c4)cc3)CCC2)c1 1788075593 KMLVKFRCFIDSLP-QGZVFWFLSA-N 495.608 5.567 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312638 NHKBDQQSPIUWBW-UHFFFAOYSA-N 484.021 5.680 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1789211681 IQRASIVHVKJEHQ-UEVCKROQSA-N 483.653 5.416 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ncc(C(F)(F)F)cc3Cl)CCC2)cc1 1789494266 OVNBQFIMSRUHEY-GOSISDBHSA-N 495.929 5.075 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1 1789508747 GJWFVXGWBOYJJF-UHFFFAOYSA-N 463.654 5.351 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C5CC5)on4)CCC3)cc2)c(Cl)c1 1790766189 MICMMRDBIQRYJB-UHFFFAOYSA-N 460.921 5.139 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1 1791955726 LYRUTSMDOXRVDT-HSZRJFAPSA-N 495.620 5.206 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCC(=O)OC(C)(C)C)CCC3)cc2)c1 1792123330 UVHDPAGKLHFLEM-FQEVSTJZSA-N 489.616 5.573 30 20 JKED Cc1nc[nH]c1CSCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124827 KLTKBOLLDNBQJV-SFHVURJKSA-N 487.629 5.026 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)CC)CCC2)cc1)NC(=O)OC(C)(C)C 1792205356 XALODHQECKASGC-SIKLNZKXSA-N 471.642 5.416 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792207936 LDBGJAVECNRSGG-WWPVKYPJSA-N 481.637 5.265 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCCCCCNC(=O)OC(C)(C)C)CCC2)cc1 1792266330 NGJVRILQBJULBN-UHFFFAOYSA-N 469.626 5.009 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)c1 1792378608 YFCOQQFQTYTCAK-RUZDIDTESA-N 453.464 5.191 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1797777111 WVIYWSVWXDTRSP-HUUMMWPTSA-N 471.117 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Br)cc2)CC1 1797849847 OOOBITRLLGHWHN-WKCHPHFGSA-N 473.455 5.111 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)ccc3s1)C2 1798334598 FCTYSPWGXQEYMI-IYWMVGAKSA-N 487.463 5.684 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(Cl)cccc2Cl)c1 1799549861 UMXUFXYTMQGMBW-FZDIXFNVSA-N 456.373 5.186 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1NC(=O)OC(C)(C)C 1800509800 YVMLAYQIBRJJCI-ACDBMABISA-N 469.626 5.278 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2OC)[C@@H]1c1cccnc1 1802502834 MPXKUAMCUPVYTL-DENIHFKCSA-N 470.013 5.056 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1803084519 RAWPHVDILAYFQS-RLWLMLJZSA-N 489.019 5.371 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1803090935 JUCZPWAMOBOKLT-GBXCKJPGSA-N 475.614 5.090 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1803115427 DZYZVTITLAEKTE-RPLLCQBOSA-N 463.597 5.018 30 20 JKED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803223930 XNVWBLTYMNXZMQ-YWOZSHDGSA-N 486.081 5.033 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(N(C)C)c4ccccc24)C3)c1 1803678413 ACXKPBSOTGHPKC-LSUHJGNXSA-N 480.612 5.098 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(Br)c5ccccc45)CC3)C2)C1 1804780812 XFHMKNZGJHESEH-UHFFFAOYSA-N 481.434 5.413 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC[C@H]2CNc3ccccc3C2)[C@@H]1c1cccnc1 1807202383 GIYMERSKBBWAEF-OKEQGEBHSA-N 488.676 5.144 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1807210130 IMEJDTSGHNXOOX-CQOQZXRMSA-N 496.449 5.241 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1808743219 NEMFAKWRGZWCCM-IGKIAQTJSA-N 482.628 5.456 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1 1808977460 UPMXDIYQGUSGKZ-VIZCGCQYSA-N 488.591 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1810175014 OOXMMJCGAUUETH-JBRSBNLGSA-N 486.641 5.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)[C@H]1c1cccnc1 1810181681 JSGNKWCJQXXVGJ-DWXCWOAGSA-N 451.655 5.462 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)C2)CC1 1810441141 RSSMFIZNSFFNHW-RUZDIDTESA-N 496.655 5.843 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccoc2C(F)(F)F)[C@@H]1c1cccnc1 1810500016 KTYRLGFPYJKLIM-IEBWSBKVSA-N 463.500 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1810500629 ALELLAXHTISDPS-QESAQDPVSA-N 479.587 5.449 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3occc3n2-c2ccccc2)[C@H]1c1cccnc1 1811278594 WVQJUQKAIBFITE-MUAVYFROSA-N 494.595 5.132 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(F)F)cc2F)[C@@H]1c1cccnc1 1811385821 YMOFDXBTDSWEJZ-GCJKJVERSA-N 489.538 5.134 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c(Cl)c1 1811744429 ATELTYKKSCREBK-PGRDOPGGSA-N 490.972 5.048 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1812787892 BDJBGEYPFSRDOG-JVGXHWGJSA-N 486.660 5.054 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1 1812808221 GAIFRRXDZDQODY-QDPGVEIFSA-N 492.639 5.337 30 20 JKED CC#C[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1)c1ccc(O)cc1 1813124097 UMJYPBWMDAJSAA-FXBKAEPGSA-N 489.660 5.207 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1813864104 UVRILLKYKMECCQ-QTPICFERSA-N 498.652 5.209 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2CCCC3)[C@@H]1c1cccnc1 1813879814 YMBHAVWFLLDRKI-OASJLCFRSA-N 457.618 5.048 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)ccc2[nH]1 1814738777 FUUIDISVRQVNDY-VWLOTQADSA-N 480.572 5.010 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814935818 RSTXBQZIUMJABH-PXLSRWGNSA-N 467.013 5.443 30 20 JKED Cc1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)cs1 1816579251 QUJPMMZVLMUUFL-RUZDIDTESA-N 495.608 5.194 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1 1816826022 UQNXQTORZICRMD-DCFHFQCYSA-N 491.595 5.739 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)c1 1817003597 HEKOZZCZAOURNP-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817773582 JIWDOYGGLROFOB-AREMUKBSSA-N 491.595 5.734 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)[nH]n2)cc1 1821146141 PYTAMDKGKCKBLK-DEOSSOPVSA-N 485.588 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2N2CCCCC2)n[nH]1 1821307094 SGUMTAXURKBKLK-BWKNWUBXSA-N 475.637 5.474 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1 1821790677 QSLOBZJUKJCMMM-IBGZPJMESA-N 481.449 5.261 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1822393363 VGWSNKNLCOFDFS-XMMPIXPASA-N 476.527 5.464 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1)c1ccc(O)cc1 1822468882 BIHQEXNMTHUHHV-BWKNWUBXSA-N 495.583 5.100 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1822584464 PZBJMWTUZDCZBV-NRFANRHFSA-N 451.958 5.044 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1)c1ccc(O)cc1 1823588701 DZQMBLOEHOWXOS-JNMBUGSCSA-N 496.558 5.050 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603309 XDRLIKAPZKLTKY-NLFFAJNJSA-N 474.605 5.087 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(=O)Nc2ccccc2)CC1 1823750713 FUTMLOQVPJZYRE-RUZDIDTESA-N 481.681 5.408 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826780455 IKTMMKFVPHNATG-LFBFJMOVSA-N 485.619 5.196 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828320033 OKJVZCSCRMWCJZ-UTKZUKDTSA-N 475.054 5.379 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828332890 WXTPLXJCOMZCHR-QFIPXVFZSA-N 480.033 5.168 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828357578 LWFPXPRSYPMRIH-FXKPEZSLSA-N 495.623 6.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 1828824974 QWHIWKBDLWPXGX-ZGXDEKTJSA-N 470.604 5.456 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829677375 XCIXHFNCEAGYLW-DEOSSOPVSA-N 499.533 5.133 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1)c1ccc(Cl)cc1 1829774204 NZMAHAFDEJKSFM-RPBOFIJWSA-N 481.040 5.213 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3F)CC2)c1 1829886661 LYWOUOSLCNCSQR-AVRWGWEMSA-N 465.544 5.139 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F 1829975404 AMAHBUUJLQXFMD-GOSISDBHSA-N 463.327 5.345 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2noc(-c3ccccc3)n2)CC1 1830131567 AXGHABCJTANAJV-RUZDIDTESA-N 490.648 5.057 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1830607806 SFTDCGSGVRNGRK-LJAQVGFWSA-N 494.639 5.513 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830717206 QOVDDMQRMYPHLE-HSZRJFAPSA-N 489.925 5.176 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c(C(F)(F)F)o1 1830718226 XBMAYZOWNOYGHC-NRFANRHFSA-N 491.485 5.165 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830770493 YUEXXMUHQWVIMW-HHHXNRCGSA-N 455.602 5.291 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177945 KOUPIEBNVMCBBS-XRKRLSELSA-N 499.655 5.563 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831237011 CQRMLTHCJVOVKU-HYBUGGRVSA-N 476.583 5.318 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1831447549 YFILHTMUJCDONP-QHCPKHFHSA-N 478.555 5.059 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832703104 UMPGMRFFGGWBKU-HSZRJFAPSA-N 462.556 5.441 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1C#N 1832703975 ZOGOYSXTCOPZHZ-VWLOTQADSA-N 494.035 5.546 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832711111 SHAJXQCEMRNULZ-IBGZPJMESA-N 476.461 5.289 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 1836603570 SQLIIRGYYZGZMJ-FQEVSTJZSA-N 475.073 5.435 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)CCc1cc(Cl)ccc1Cl)C2 1844253662 HJMQWMKNFFZMSF-UHFFFAOYSA-N 479.524 5.181 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC1CCC1 1847703902 GPNZTAFUIJMNKM-HJOGWXRNSA-N 491.717 5.412 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)nnc1-c1ccccc1 9447075 WWJRSUCGXMPXEA-UHFFFAOYSA-N 477.615 5.573 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccc(F)c(Cl)c1 10755875 VMFPZIQMMDNJMB-UHFFFAOYSA-O 458.922 5.288 30 20 JKED C=CCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 11371967 PJCBPBCWMXWXCJ-FQEVSTJZSA-N 465.575 5.077 30 20 JKED CC(=O)N(c1nc(COC(=O)/C=C/c2ccccc2C#N)cs1)c1c(C)cc(C)cc1Cl 11541733 PWDXQUFNDPQUJH-CMDGGOBGSA-N 465.962 5.726 30 20 JKED CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 11684562 ZDYHNKLNHVRODF-UHFFFAOYSA-N 487.581 5.208 30 20 JKED CC(C)Cn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccco1 17000879 NNRMJNKVJAGEGU-HNNXBMFYSA-N 469.636 5.515 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nc2sc3c(c2c1=O)CCCCC3 18258693 JDTSMBARJOWMEE-UHFFFAOYSA-N 480.615 5.264 30 20 JKED Cc1cccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nc3cc(Cl)ccc3c2=O)c1 20070580 WZXARMJONHPLAW-UHFFFAOYSA-N 474.973 5.144 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 22564432 HNPPOYVYIVJBHM-JLCFBVMHSA-N 492.432 5.428 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cc(C)ccc2C)cc1 22729656 ZSHUYMCATLGACE-UHFFFAOYSA-O 467.605 6.824 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccccc2CC)cc1 22732816 HMGGJNSCJCAEIW-UHFFFAOYSA-O 468.042 6.256 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22791313 FCJZZAYOGJCRGL-UHFFFAOYSA-O 479.669 5.898 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nc2ccccc2c1=O 23547109 HNSGJEVSSVEHSA-ZDUSSCGKSA-N 478.624 5.462 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccc(F)cc1 24014551 VVCYHHCQFBJKCS-OAHLLOKOSA-N 464.522 5.338 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCCCO3)ccc1Cl 25027661 ZAXNBGCUNMYYGG-UHFFFAOYSA-N 498.988 5.135 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1 25438452 PXPPGFJJTOSSJE-UHFFFAOYSA-N 492.373 5.520 30 20 JKED N#C[C@H](C(=O)CSc1ncc(C(F)(F)F)cc1Cl)c1nc(-c2ccccc2)cs1 26005743 IDKFRJKIVHQCEK-CYBMUJFWSA-N 453.898 5.846 30 20 JKED Cn1ccnc1[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(Cl)cc1 32053163 SJYOZHFKSNBCCF-XMMPIXPASA-N 456.933 5.044 30 20 JKED C=CCn1c(SCc2cc(-c3ccc(F)cc3)no2)nnc1[C@H]1COc2ccccc2O1 32324850 HCWIJSQUJVTDOV-OAQYLSRUSA-N 450.495 5.063 30 20 JKED C=CCn1c(SCc2cc(Cl)ccc2OCc2cccnc2)nnc1-c1ccoc1C 59256451 WVHVDHMYDCEOGY-UHFFFAOYSA-N 452.967 5.952 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 69627211 RZDKOKGLAIYFMF-HSZRJFAPSA-N 479.989 5.032 30 20 JKED N#C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(OCc2ccccc2)cc1 303228003 WWMWJENEFMMVKK-XMMPIXPASA-N 473.985 5.966 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)cc2)c1 409921341 JROFMDFJAJLWFS-UHFFFAOYSA-N 464.403 5.458 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2F)c1 481692405 XVYRZURLEFPNSA-QFIPXVFZSA-N 472.545 6.255 30 20 JKED O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 495204801 DIHYUGYONLBRIV-UHFFFAOYSA-N 467.291 6.181 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1 502635269 NYCDZYWXWRGVRJ-UHFFFAOYSA-N 497.430 5.522 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc(-c2ccccc2)cs1 502693500 VTCIANOKYXHCDR-JOCHJYFZSA-N 471.607 6.323 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1 508144303 CYPQTCLMGZOFIM-UHFFFAOYSA-N 488.609 5.035 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1Cl 510044469 LNXSERWRPUGEDL-VWLOTQADSA-N 476.983 5.921 30 20 JKED C[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Oc2ccccc2)cc1 510416471 ZKIPIPYVHQTXGS-HXUWFJFHSA-N 468.557 5.472 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 510996355 ALARQLSEMPVSNY-UHFFFAOYSA-N 465.981 5.281 30 20 JKED C=CCn1c(SCC(=O)N(C)c2c(F)cccc2F)nnc1-c1ccc(Cl)cc1Cl 511435286 BTXLXQKYKQOVDN-UHFFFAOYSA-N 469.344 5.471 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)n2)cc1 512488958 MQVKQFCNDYRFCQ-QGZVFWFLSA-N 488.981 6.139 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 513672473 RYQBGEDUMVKIRK-CQSZACIVSA-N 451.960 6.062 30 20 JKED CC(C)Oc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 516181098 JNQQOGPHNOEXRD-HOYKHHGWSA-N 475.976 5.599 30 20 JKED CCOc1ccc(NC(=O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 516816553 DESSSMLUQDQWSH-JOCHJYFZSA-N 462.937 5.154 30 20 JKED CCOc1ccc(N(C(=O)CSc2nc(C)c(C)c(C)c2C#N)c2nc3ccccc3s2)cc1 518168697 AIRAZWXANXSDHR-UHFFFAOYSA-N 488.638 6.344 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)cc2)c1 518236349 DOLWBYKJIPQKKX-UHFFFAOYSA-N 455.901 5.466 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cn2c1 518260775 VEPJSUHLMBFOND-LJQANCHMSA-N 471.467 5.457 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2ccccc2SCCC#N)C(C)C)s1 518676824 SQLHICWMRXHQQA-UHFFFAOYSA-N 477.655 6.105 30 20 JKED Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1NC(=O)CN1CCCCC1 520030608 KTEISNCTILJQSH-UHFFFAOYSA-N 452.558 5.210 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccc(O)cc1)Cc1ccco1 520582418 GYVQAJQOXSFIEM-UHFFFAOYSA-N 453.498 6.192 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccccc2SC[C@@H](C)C#N)cc1 520835916 ZBPSJSIRANEZRT-RBUKOAKNSA-N 488.613 5.638 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(C3CC3)nc21 521263668 LGQMOODOMBSXQJ-OAHLLOKOSA-N 463.513 5.781 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCC1 521514662 MJGFXVXDEHHSOM-XMMPIXPASA-N 454.530 5.040 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 521698771 ACPMCYNKGXPJTN-UHFFFAOYSA-N 494.517 5.950 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](OCCC)CC2)c1 521730647 QGPKHHVLGMSWEE-QHCPKHFHSA-N 491.053 5.143 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)cc2Cl)cc1 523961716 ZGYDRMGYJFEFKM-WIYYLYMNSA-N 499.876 5.634 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NCc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)c1 524656849 WNIQKRRQBCYBJW-UHFFFAOYSA-N 477.568 5.164 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603758958 QEBJAFAXXIXYMT-QFIPXVFZSA-N 459.933 5.673 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1Cl 603758998 QXCXSJNZCDAYRD-HXUWFJFHSA-N 498.867 6.591 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 603872698 FDHPIZOIIWMOBV-UHFFFAOYSA-N 466.335 5.277 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 604003521 LMAQRHMJUQWBIO-UHFFFAOYSA-N 452.514 5.343 30 20 JKED COc1cc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)[nH]c2c(OC)c1OC 604358333 ZNSYZADRFGGZDY-UHFFFAOYSA-N 457.486 5.418 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n1 604432401 ZUZILBHNGIINHG-ZDUSSCGKSA-N 465.478 5.261 30 20 JKED CC(C)(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604444650 MHLXWCZQLZSULT-QHCPKHFHSA-N 475.976 5.428 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 604447004 HNNJRFRJSQDIRF-UHFFFAOYSA-N 481.621 5.292 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)cc2)cc1 604457039 MHSDTWLOIBHSTE-UHFFFAOYSA-N 471.520 5.910 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)c1 608812186 FVYOVTSJQIKISN-UHFFFAOYSA-N 476.330 5.173 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)c1 609064208 YBCYIGCLEZQSBC-UHFFFAOYSA-N 479.989 5.343 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3I)cc2F)c1 609107354 ZVMMVXZBSAVMOY-UHFFFAOYSA-N 472.257 5.133 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)c1 609185411 XILFZEKUMIRFNK-UHFFFAOYSA-N 467.447 5.448 30 20 JKED CC(C)OC(=O)C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1[N+](=O)[O-] 609209103 RODVADHJHFXAAA-HSZRJFAPSA-N 488.500 5.463 30 20 JKED Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4S[C@@H](C)CC#N)c(=O)c23)cc1C 609370679 NFCGAPWEGJNRAK-SFHVURJKSA-N 488.638 5.775 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)cc1 609415267 IYWOZMXWDZYELO-GOSISDBHSA-N 480.659 5.187 30 20 JKED C=CCN(C(=O)CCc1cnn(-c2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 610421666 FQSALVQYISEFKD-UHFFFAOYSA-N 459.531 5.056 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccc2ccccc2n1 613290464 DVQLGHCOOXEKPG-QFIPXVFZSA-N 457.599 5.513 30 20 JKED N#C[C@@H](C(=O)c1cccc(Nc2ncccn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613345955 AWKCGYJLMGIBPU-KRWDZBQOSA-N 466.353 6.141 30 20 JKED O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1 622594104 LTQXAILRICSSBN-CQSZACIVSA-N 490.419 5.432 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2[C@@H](C)C2CC2)nnc1-c1ccc(Cl)cc1Cl 635823986 AYZYDVQRTQZXRH-ZDUSSCGKSA-N 477.421 5.336 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642158386 RDQIUIAMXMEVOC-RYUDHWBXSA-N 454.411 5.897 30 20 JKED C=CCn1c(SCC(=O)Nc2cccnc2Oc2ccccc2)nnc1-c1ccc(Cl)cc1 642302035 UUJFPKWPZWHZOA-UHFFFAOYSA-N 477.977 5.703 30 20 JKED CC(C)Cn1c(SCC(=O)NCC#Cc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 643646482 LHVGYNVSYQLTRL-UHFFFAOYSA-N 473.429 5.168 30 20 JKED C=CCN(C(=O)COc1cc(Cl)ccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 684811984 QVAOVKUYALQTDF-UHFFFAOYSA-N 497.425 5.118 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@H](C)c2cccs2)c1 726421519 NNRDFHGBSKFMBP-CBECUCKHSA-N 493.654 5.485 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S/C2=N\[C@@H](C)c2cccs2)n1 726421806 SBKSGELLQUENKM-IPTCSCHISA-N 482.606 5.181 30 20 JKED COc1ccccc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1 726571297 RFFQMNYASFXGMZ-UHFFFAOYSA-O 479.025 6.129 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)NCCc2ccc(Cl)cc2Cl)[n+]2ccccc2)C=C1 726573308 WZZYITNCPFTWKU-UHFFFAOYSA-O 487.432 5.095 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2ccc3c(c2)CCCC3)c1 726573382 YZFFQTCGZPRRJR-UHFFFAOYSA-O 465.642 6.036 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3csc(-c4ccccn4)n3)c2C#N)C1 726643147 NFBJRPDUSGIWAZ-OAHLLOKOSA-N 494.642 5.475 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(O)c(CN2CCCCC2)c1 727057992 BAOWXPWRSVKYID-UHFFFAOYSA-N 478.618 5.015 30 20 JKED C=C(C)COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 727330418 IMIWBSULYVWFDE-CPNJWEJPSA-N 458.630 5.323 30 20 JKED N#C[C@H](C(=O)CNC(=O)NCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 727626584 DDXUZZZZFHSAHR-MRXNPFEDSA-N 493.803 5.446 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2)cc1 727628325 UYLSUHCFYNHKJJ-MUUNZHRXSA-N 490.559 5.902 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)cs1 728156221 CFWCMNYKXQXIAF-MDWZMJQESA-N 454.979 6.412 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccsc3)C2=O)cc1 728425303 MTNHMYWWEXPLFU-FQEVSTJZSA-N 482.537 5.058 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccsc1)c1cccs1 728428736 BAHFPRPGXJYYBY-LRQVMVACSA-N 480.640 5.271 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(SC(C)C)cc2)cs1)c1ccc(F)cc1F 728441338 HORBZPVZSPQIJS-XFFZJAGNSA-N 458.555 6.503 30 20 JKED C#Cc1cccc(N(CC)C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)c1 728479522 YAZATDWNVWJAPH-UHFFFAOYSA-N 461.359 5.658 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc1C 728600906 ZBVJICGEFPCIBY-UHFFFAOYSA-N 474.571 5.101 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CNC2(c3cccc(Br)c3)CCC2)c1=S 728708333 CUQVABQGRVZQPG-UHFFFAOYSA-N 490.515 5.017 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 728974030 INYQNNKHBRSMHF-JOCHJYFZSA-N 478.392 5.424 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2scnc2C)c1 729408072 MSPVYWAWNFFCGX-UHFFFAOYSA-N 496.441 5.070 30 20 JKED CCCCCCCCc1nnc(NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)s1 729547212 FZVGDOXSWQHDMK-UHFFFAOYSA-N 458.632 5.259 30 20 JKED Cc1cccc2sc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c(Cl)c12 731071870 RTNXLFJLNJDIID-CYBMUJFWSA-N 458.992 5.910 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N([C@@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731307506 IDJODAPTCXPVRM-DHIUTWEWSA-N 475.545 5.179 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCOC2CCCC2)cc1 747042633 GGVUCAYCVQZEAE-HSZRJFAPSA-N 483.609 5.444 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)cnc21 747364151 IEEXOVYDHRCGJC-UHFFFAOYSA-N 484.990 5.259 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccccc1 747603813 YIKNOUYYTKHWOC-SFHVURJKSA-N 491.425 5.610 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cnc(-c3ccccc3Cl)s2)c1 747952167 FWGVRZUUSYZHKL-UHFFFAOYSA-N 453.951 5.184 30 20 JKED CC(C)CN(CCC#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 792525209 FZRPFCIWDOKDKO-UHFFFAOYSA-N 455.537 5.298 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)s2)cc1 818266826 QLSCQCRFPDUPQS-UHFFFAOYSA-N 455.952 5.743 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837366927 DACAWNYADHEWNT-DVECYGJZSA-N 472.614 5.927 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N([C@H](C)c3ccccn3)C2=O)c1 837428157 WFIXOZUEQKYGSC-DVECYGJZSA-N 488.613 5.429 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 837641367 MULVEGUPADGQAI-XXBNENTESA-N 458.587 5.420 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1cc(Cl)ccc1OCc1cccnc1 914695107 FOVNUNJWKVITJQ-UHFFFAOYSA-N 479.993 5.272 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 915179113 ADIHDJBTEPSPDU-HSZRJFAPSA-N 488.410 6.409 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n1 915483505 IPLNWYWCYRJHRL-VIFPVBQESA-N 459.763 5.660 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 915569915 ALLDPDQZJNZSMB-ZDUSSCGKSA-N 485.924 5.157 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cs1 915861861 GMFPQWSLQOMLLE-QFIPXVFZSA-N 456.527 5.134 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(Cl)c(Cl)c3)s2)c(C(F)(F)F)c1 916055747 OAPZROFISMVKRA-UHFFFAOYSA-N 457.264 5.578 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccccn3)C2=O)cc1 916212305 WEWMGPQPYWGJFA-NRFANRHFSA-N 464.978 5.204 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 916703113 RTHVBIOAZFEETP-UHFFFAOYSA-N 471.369 5.430 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCOc1cccc2ccccc12 916899167 HWSHSJFXLZMJDM-LJQANCHMSA-N 450.922 5.317 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 916955835 VDPQZHZXFQMZDC-KPFBPEDLSA-N 455.967 5.004 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccs2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997254 UKORITZVGUYVKW-CQSZACIVSA-N 476.435 6.721 30 20 JKED N#C[C@H](C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)c1nc2ccccc2n1C(F)F 917040320 LBXQIMBEUDZTBZ-VJOZSWGJSA-N 487.495 5.021 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042230 DTLUXZNFSUBKRX-PMACEKPBSA-N 493.510 6.053 30 20 JKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 917043825 OMZVVNRDCOVFKE-AWEZNQCLSA-N 465.294 5.986 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c(C)c1 917674210 PJPDYFJOGFDVLI-WMTXJRDZSA-N 494.636 5.030 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccc(F)cc2)n1 917682366 VNPQYBGQLTWHTP-XMMPIXPASA-N 499.571 5.238 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N([C@@H](c2ccccc2)C2CCCCC2)C1=O 917696153 IWQWVOLLVIEEQE-ZCYQVOJMSA-N 492.645 5.034 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)o1 917750919 XJZUIRWMWSFJNG-MRXNPFEDSA-N 473.381 6.268 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 917803012 DCMQTJIXZPWNNV-LJAQVGFWSA-N 488.543 6.038 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(Br)cc2)o1)C(=O)N(CCC#N)c1ccccc1 919407550 AYPNVFXRBRPDPK-KRWDZBQOSA-N 497.345 5.113 30 20 JKED C[C@H](OC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)C(=O)N(CCC#N)c1ccccc1 919419143 QKTDJFXCQMLKAH-KRWDZBQOSA-N 494.345 5.129 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2)c(OC)c1 920109570 RHIWVICMOSLEEL-HSZRJFAPSA-N 467.525 5.132 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 920352360 MQKJQEDFUJTDTC-XMMPIXPASA-N 484.581 5.605 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(Cl)cc2)no1 920357316 XJGHHQUGYAHEAC-LJQANCHMSA-N 489.384 5.450 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806455 LPFJGMSSFFEPEL-SFHVURJKSA-N 466.488 5.449 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 920871250 WFWHKIZBPGKDFY-QRWLVFNGSA-N 493.551 5.257 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(C)cs3)n2-c2ccc(Cl)cc2)cc1 921250111 OLYLLVZXYUFNIK-IBGZPJMESA-N 496.017 5.330 30 20 JKED CCC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(Oc2ccccc2)cc1 921254315 XXNFDYOJKQYJAE-UHFFFAOYSA-N 485.613 5.377 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)COCC(F)(F)F 921254414 WABGFZOVSBRSBR-KXBFYZLASA-N 497.514 5.062 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4S)cc3)CCC2)cc1C#N 1785848400 BIBAEEJXNLEMRX-UHFFFAOYSA-N 486.597 5.091 30 20 JKED Cc1ccc(OCCC(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)cc1 1785879762 LPTFCDJEXITJIV-UHFFFAOYSA-N 467.569 5.012 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCC4CCC4)cc3)CCC2)c(C(F)(F)F)n1 1786260371 IVALQCHPLKYBQW-UHFFFAOYSA-N 470.495 5.300 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3OC)CCC2)cc1 1786369172 SZJOTKKFBPMZMD-UHFFFAOYSA-N 456.970 5.079 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1789496485 YPKBXYZHDSGMFR-QHCPKHFHSA-N 477.992 5.209 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cn4ccc5c(F)cccc54)CCC3)cc2)c1 1790256592 ZXIMVPKPIIGOLZ-UHFFFAOYSA-N 466.516 5.100 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(=O)c4ccc(Cl)cc4)CCC3)cc2)cc1 1790705241 MVDYZYLHJOTALG-UHFFFAOYSA-N 471.944 5.037 30 20 JKED CC(C)C1(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)CCC1 1790837196 SFNLKVJGPSCOJH-UHFFFAOYSA-N 455.562 5.009 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc4cccc(Br)c4n3)cc2)CCC1 1790861018 XKTVUKPSJXXXRR-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CNc4ccccc4C3)CCC2)cc1 1791299907 MQAWEMDXTHYNLW-LJQANCHMSA-N 467.560 5.397 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)OCc4ccccc4)[C@H]3C)CCC2)cc1 1791593463 UDDFJIDAFGDHSK-OFVILXPXSA-N 489.616 5.134 30 20 JKED CCc1nn(C)c(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1Cl 1792122546 BYWSLRXZQMRONE-KRWDZBQOSA-N 490.007 5.324 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c[nH]nc5c4)CCC3)cc2)cc1C#N 1792168715 UMDVLIQZXVPSJI-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3cccs3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204363 YMWGZLYCRAABDG-NRFANRHFSA-N 497.661 5.284 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792207932 LDBGJAVECNRSGG-VJBMBRPKSA-N 481.637 5.265 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ncccc2c1)c1ccc(C#Cc2ccccc2)cc1 1793857485 MFZYCQWHHRMBBR-RLPLKTQASA-N 499.614 5.129 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cc(Br)ccc2c1 1797984268 QHKGSSKVWBVKSB-BKFWDETESA-N 481.434 5.623 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2[nH]c3ccoc3c2-c2ccccc2)c(Cl)c1 1799117805 ZINIOMVBIVSUCA-ACDBMABISA-N 498.970 5.519 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(CCCCC)cc3)[C@H]2c2cccnc2)C1 1802405459 CKFITKIKSDGUHN-RDNBGJIVSA-N 471.645 5.500 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)[C@@H]2c2cccnc2)C1 1802418142 QREZORYZTMVUIT-FUFSCUOVSA-N 490.607 5.287 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Br)cs2)[C@@H]1c1cccnc1 1802504627 ZRXPLLZJLTUUMT-YLJYHZDGSA-N 490.467 5.218 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCNC(=O)OC(C)(C)C)C2 1802627093 ZMEIZTPCGKBFSF-BKFWDETESA-N 489.701 5.074 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1803090778 IQAWFQBSRGOORL-ZEVJAHDQSA-N 478.036 5.239 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3cc(Cl)ccc3OC)CC2)C1 1804866073 NUSQFQRRUVAGRW-UHFFFAOYSA-N 461.046 5.115 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)Cc3cccc4ncccc34)C2)CC1)c1ccccc1 1805978052 BBQOTJCCEFLNOU-MUUNZHRXSA-N 493.651 5.206 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1809840069 PMXKKPRITCZOEF-CYFREDJKSA-N 479.621 5.747 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1810171671 JLPXOPMCSMCFFK-NNMXDRDESA-N 480.659 5.149 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[C@H]1c1cccnc1 1810492142 JMGYMCLEQZMGAX-OUMCCJGNSA-N 481.587 5.162 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)sc3Cl)[C@@H]2c2cccnc2)cc1 1811362609 RRTCYIZKHZHPDQ-WIYYLYMNSA-N 499.423 5.149 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1811955143 BDYYXBBFONHYKN-AOLGGSBGSA-N 480.612 5.465 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1812957791 GBULTHXIVPFNLC-DGPALRBDSA-N 494.639 5.248 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(Cl)cc3F)[C@H]2c2cccnc2)cc1 1813973295 SBSQXDPMXMBFML-FDDCHVKYSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(C(C)=O)cc2)n[nH]1 1814960998 SWSKKUJKPYPTME-VWLOTQADSA-N 492.620 5.232 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818596335 DUXUPKSMBOFYCB-LJQANCHMSA-N 452.555 5.263 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc(OC)ccc3n2)n[nH]1 1818664171 KZJIBJSRWCPGAT-QHCPKHFHSA-N 475.593 5.265 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(F)CCCCC2(F)F)n[nH]1 1818889450 LGZARPJIZPHLHP-CDMIOBSGSA-N 452.521 5.088 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1819306857 HKHSUMDSJPAOCP-HRAATJIYSA-N 465.985 5.619 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1ccccc1 1820220941 JIVNZYJUGCAYMD-VGSWGCGISA-N 475.980 5.434 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820548565 IJNICHPPXCEDMF-AREMUKBSSA-N 492.583 5.309 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1Cl 1821179381 WHPKRJYSJDUTGN-QFIPXVFZSA-N 461.953 5.057 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)n[nH]1 1821287289 SCLCRPOWBZOSKT-NRFANRHFSA-N 497.571 5.005 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@@H](C)Oc3ccccc3)n[nH]2)c1 1821785751 MHWRQVFUHKPXAO-FHAGJXEFSA-N 485.588 5.200 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2OC)n[nH]1 1821792650 XTIISEKZNMTVQB-CTNGQTDRSA-N 471.001 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(OC)cc2OC)n[nH]1 1821854261 MTHVXLKUQPQWHW-QFIPXVFZSA-N 482.625 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)c(C(F)(F)F)c2)n[nH]1 1821861183 LUUXVNVXGZGTJM-LAUBAEHRSA-N 492.517 5.571 30 20 JKED CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)CCCCC1 1822332718 XIISDLPOUKYYGG-IBGZPJMESA-N 453.974 5.211 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1Cl 1823185452 CAQYLFQUDKCBJA-VGSWGCGISA-N 475.980 5.618 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cccnc4s3)[nH]n2)c1 1823215558 VDCJMLCUWLNNJF-IERDGZPVSA-N 484.585 5.266 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(F)c1 1823218717 VDUBVVMENOGIAT-HXOBKFHXSA-N 459.525 5.104 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1823255768 CZWQQPWGTWXANR-OPAMFIHVSA-N 491.979 5.318 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)cc1 1823939331 XFEISNTXNLVORH-DEOSSOPVSA-N 467.972 5.092 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1824500906 OUGOAWKFBIOJFC-QFIPXVFZSA-N 499.633 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824986697 DDPVKQORCXVFQK-FTJBHMTQSA-N 487.084 5.887 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2)CC1)c1ccccc1 1825170276 VTCKCEALQFUHCW-VMPREFPWSA-N 485.672 5.140 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1827334373 LMNPFWRDNODRIN-DEOSSOPVSA-N 497.586 5.202 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1827356393 VVYUIRMAZQOAMZ-KBMIEXCESA-N 481.587 5.472 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccccn3c2C)CC1)c1ccccc1 1828076665 CIMIAHSYPRUXJI-SXOMAYOGSA-N 496.655 5.073 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1 1828907825 JPXYARDQIFBSRS-XMMPIXPASA-N 456.747 5.238 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cnc3Cl)CC2)c1 1829200819 SYBDFJNHLUBEDY-HXOBKFHXSA-N 482.987 5.048 30 20 JKED COc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829688910 OAXIFQYHMOFOIJ-RUZDIDTESA-N 494.035 5.086 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(F)(F)F)cc2)CC1 1830500151 XBHAGJNOFNJXLI-JOCHJYFZSA-N 464.528 5.012 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)CC1 1830685448 LEPOYIUEJFPVRE-VWNXMTODSA-N 498.465 5.322 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2F)CC1)c1ccc(O)cc1 1831922085 WXUHZKWCKONYCI-URXFXBBRSA-N 482.621 5.023 30 20 JKED Cc1ccccc1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634359 QMSNRRLPCUTFGW-LXFBAYGMSA-N 471.645 5.488 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)cc1C#N 1832704695 OZMPMYUOIPTWOI-UWURSXPMSA-N 477.649 5.325 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1835034955 TXSWWSYPOPAYNW-JOCHJYFZSA-N 497.083 5.083 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)Cc3cccc(CCCCC)c3)CC2)CC1 1838616237 LBLLRBHXBJNDDW-UHFFFAOYSA-N 490.635 5.172 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 1838661264 QWCGUUJRQHYKLZ-JOCHJYFZSA-N 476.617 5.303 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCc3ccccc3)CC2)CC1 1838785933 XXLLJTRHYJTBTB-UHFFFAOYSA-N 494.720 5.762 30 20 JKED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 1845418396 LYZRSLNRDADBFN-UHFFFAOYSA-N 454.655 5.081 30 20 JKED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1848064724 MUSYEQUNFVVWAX-VXKWHMMOSA-N 490.547 5.232 30 20 JKED N#CCCSc1nnc(-c2ccccc2Br)n1-c1cccc(C(F)(F)F)c1 9250649 GNBIMRIKHLTMKD-UHFFFAOYSA-N 453.287 5.721 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 10168990 DROMXPFJJORYGV-UHFFFAOYSA-O 451.681 6.618 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174092 RJUBWAYWYZXULF-UHFFFAOYSA-O 473.540 6.103 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1cccc(Br)c1 11084644 FKLJXFSNKHRZOB-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccccc2)cc1 11085108 CAZCDNYTFSYYAG-UHFFFAOYSA-O 454.413 5.911 30 20 JKED C[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)C(=O)Nc1ccccc1C#N 11120505 MXPYJUXQQNJIFX-CYBMUJFWSA-N 496.926 5.308 30 20 JKED N#CCc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C2CCCC2)CCCC4)cc1 20051010 SENWOOVQRRELIC-UHFFFAOYSA-N 478.643 5.249 30 20 JKED COc1cccc(NCc2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2C2CCCCC2)c1 22719006 LEQUBPQUQWTGGZ-UHFFFAOYSA-N 476.606 5.006 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(Nc3cccc(C)c3)s2)cc1 23547518 MZLMLFSPPYZVIB-UHFFFAOYSA-N 453.593 5.028 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)nnc1-c1ccc(F)cc1 24015001 QETSSPSLXMCXNG-HNNXBMFYSA-N 467.595 5.019 30 20 JKED C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 25212619 JSHDPVGZSXMCPX-AWEZNQCLSA-N 456.999 5.108 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3cc4sc(Nc5ccccc5)nc4s3)CC2)cc1 29985578 NQCBZJBTOXYZJN-UHFFFAOYSA-N 473.627 5.321 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2)c1 32289840 XPMBFYXOZKDLKM-MHZLTWQESA-N 461.521 5.247 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 72074652 PCNCWKABMLUAAR-CQSZACIVSA-N 456.329 6.105 30 20 JKED Cc1nc(C)c(C#N)c(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1 105633577 YJQHGJBVQUAEDF-JLTOFOAXSA-N 465.966 5.070 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)cc1 254739544 LQVYVAYPXNLTIY-XMMPIXPASA-N 491.613 5.235 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1[N+](=O)[O-])c1ccccn1 410048336 UHKOWZADTDXPGB-MRXNPFEDSA-N 484.541 5.334 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1OC(F)F 481109961 QTGHHTQUKBCEAG-NRFANRHFSA-N 497.473 5.084 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2F)c1 481655489 HKKXUHVOUSLELJ-QHCPKHFHSA-N 462.525 5.218 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(SC)cc1 481681391 CIMQGWWYFYSYRW-HSZRJFAPSA-N 493.560 5.424 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1 483410778 KRDANOXBGFWKAS-XMMPIXPASA-N 454.592 5.370 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 487324655 PLVRJSIJBHLHIW-UHFFFAOYSA-N 450.976 5.943 30 20 JKED C=CCc1cc(CNC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc(OC)c1OC 497437605 KJFVSZRYYFDLPY-UHFFFAOYSA-N 469.541 5.388 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)s2)cc1C 497498316 FAUWPWUJHXSABX-UHFFFAOYSA-N 492.630 5.561 30 20 JKED Cc1ccc(NC(=O)c2sccc2C#N)cc1NC(=O)c1ccccc1I 497982840 SQERBEFYODGMGM-UHFFFAOYSA-N 487.322 5.037 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 498106547 PYXFHZXOCHNNDO-HXUWFJFHSA-N 498.612 5.074 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 501157957 CQKHIOFLXOMGHF-UHFFFAOYSA-N 492.963 6.035 30 20 JKED Cc1cccc(-c2nc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cs2)c1 501418304 CPUBQMIPGYVLCG-UHFFFAOYSA-N 453.567 5.945 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501457193 WHTMXDUZOQWVBO-UHFFFAOYSA-N 461.587 5.939 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 506515945 KIPSARJNSWBMAK-UHFFFAOYSA-N 462.509 5.061 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 507876052 WTAGIHHYNWQNJU-UHFFFAOYSA-N 489.578 5.143 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 507886782 INXRXHHPVJWXLR-UHFFFAOYSA-N 487.512 5.543 30 20 JKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 509560991 VEYPCXFORFAPNU-AWEZNQCLSA-N 453.486 5.058 30 20 JKED CCN(C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@H](C)c1ccc(C#N)cc1 509564593 OUPCRVKUQZYDJB-OAHLLOKOSA-N 466.335 5.389 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)c2)cc1 509908719 FDHJAFCJJVNDTF-UHFFFAOYSA-N 472.564 5.257 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1 510650380 ZXFYYQAVHSMNGG-UHFFFAOYSA-N 480.524 5.504 30 20 JKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl)CCCC2 512078451 MKLUWBFAXSMXGW-AWEZNQCLSA-N 498.958 5.216 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(C(F)(F)F)cn1 513175827 LTOUFCSQDZHTSD-MRXNPFEDSA-N 464.369 5.672 30 20 JKED Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n(Cc2ccccc2)n1 513948800 QQZFOEVXHYKXHU-UHFFFAOYSA-N 453.521 5.485 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 514544330 TWVODOXXFNLQQW-IBGZPJMESA-N 465.893 5.563 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nnc1-c1ccccc1OC 514986136 TXQXJGFSVHSBHT-HSZRJFAPSA-N 462.619 5.384 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cc1 515547428 XSDZGOPBPPMXEK-HXUWFJFHSA-N 496.013 5.573 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)n1 516378565 GMIAVTUGTMJUPC-OAHLLOKOSA-N 488.560 6.087 30 20 JKED C=CCN(C(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 517305718 CGMIXOMMEJYBEI-UHFFFAOYSA-N 471.542 5.226 30 20 JKED Cn1c([C@@H]2CCCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 517666777 LAUMQIQSPVZFRL-SANMLTNESA-N 450.542 5.391 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)cc1 518120313 XMJQQVUDKBJTGA-UHFFFAOYSA-N 499.827 5.045 30 20 JKED C=CCN(C(=O)Nc1cc(Cl)ccc1N1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 518752037 GESWVLHJIVPVAK-SFHVURJKSA-N 465.989 5.087 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)cs1 520470838 NVVKSTGQFRFCRC-MRXNPFEDSA-N 486.557 5.295 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Oc5ccc(C#N)cc5)cc4)nc(O)c23)C1 520560462 RSJFQVQCHDFQLJ-MRXNPFEDSA-N 484.581 5.757 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 523948718 QOVVALUESFMLKS-UHFFFAOYSA-N 467.453 5.707 30 20 JKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524377022 QQKGTONMYUVRSA-UHFFFAOYSA-N 473.529 5.007 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)cc2)c1 524412124 LGHAIZLJPMXXBH-UHFFFAOYSA-N 458.905 5.412 30 20 JKED COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524441823 BFLZEDGATAKPHN-QHCPKHFHSA-N 461.949 6.168 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1OCC(=O)N1CCCC1 553310815 MCDOEZWHZLKSNS-AREMUKBSSA-N 498.583 5.625 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccc(Cl)cc2)cs1 588348942 JDJRUAOYXMGKQY-HNNXBMFYSA-N 465.943 5.806 30 20 JKED Cc1c(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1OCC(F)(F)F 590145030 IPTVOTONECXPOQ-GHMZBOCLSA-N 452.317 5.531 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)nnc1-c1ccc(Cl)cc1 590230312 OHAKKSPGSVAHSJ-UHFFFAOYSA-N 495.008 5.689 30 20 JKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590875598 LJPMWDKPUPCNCT-CHWSQXEVSA-N 480.355 5.160 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(F)c(F)c1 590996707 PQMYJDPPHWKWHJ-CYBMUJFWSA-N 464.925 5.094 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccc2OC)cc1 594899560 FSSNKFQFUJNHLP-AREMUKBSSA-N 455.558 5.421 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 603758691 AXHWSLIEATVCCD-QFIPXVFZSA-N 472.928 6.428 30 20 JKED N#C[C@@H](C(=O)c1ccc(I)cc1)c1nc2cc(C(F)(F)F)ccc2s1 603846182 AYJKPMSPDQOGSC-LBPRGKRZSA-N 472.229 5.410 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 603917241 IFWHEMYSGNXVFV-SFTDATJTSA-N 499.615 6.121 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 604006424 GUNZSDQOCMBJBQ-XMMPIXPASA-N 455.389 5.559 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3cccs3)C3CC3)cc2Cl)cc1 604137442 HDSLLJSTNNAFNU-NRFANRHFSA-N 451.935 5.271 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 609153467 LGVRSCFBZKNVNZ-UHFFFAOYSA-N 459.493 6.097 30 20 JKED CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(CCC#N)CC(C)(C)C)c1 609191325 CCJXBOPBTWQCBK-UHFFFAOYSA-N 455.624 5.084 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 609378818 BZYLJTJEVLYMSQ-UHFFFAOYSA-N 470.416 5.411 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 609404578 HXQPYSGZTLALAN-CQSZACIVSA-N 464.418 5.278 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(OCC(F)(F)F)cc1 609438721 UXGYWTKAWNLYJZ-INIZCTEOSA-N 483.446 5.108 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(NC(C)=O)c2)c1 611972324 AMGNXAUIQWQPNO-UHFFFAOYSA-N 498.004 5.240 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OCc1ccccc1 613317982 BPFCZKPAECHMCJ-JOCHJYFZSA-N 484.577 6.205 30 20 JKED CN(C)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 618541766 IOIULXUMOZLQTL-UWVGGRQHSA-N 451.333 5.366 30 20 JKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619710483 FPDPJQFEVYYDDP-OKILXGFUSA-N 494.407 6.530 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2cc(Br)ccc2F)cc1 621794597 APKQVUWEEIRQSS-UHFFFAOYSA-N 460.347 5.066 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 641978658 KHOBWCCFBKACQI-CQSZACIVSA-N 480.943 5.773 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726301242 XDBKRQNDNNAQQU-AREMUKBSSA-N 478.552 5.027 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CC[C@@H](C)OC)C1=O 726397039 GLCHENPJGRQCAL-IERDGZPVSA-N 490.025 5.042 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccc(CCC)cc2)c1 726572980 TXSPYWPOCKKTIH-UHFFFAOYSA-O 498.672 6.028 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2C2CC2)cc1Cl 726892276 SLCIIEMGWRBZMZ-IBGZPJMESA-N 494.400 5.133 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccccc2I)cs1 727780962 XWWBWTYQKOCJHP-XFXZXTDPSA-N 488.350 5.637 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)[C@@H]4CCCOC4)c3C#N)C(C)(C)C2)o1 727906943 DKFZYRWPEVSHFV-PDFOZTTASA-N 480.586 5.208 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(CCN(C)C)cc2)c1 727998708 FJWDPBVBRDEGCW-UHFFFAOYSA-N 498.048 5.078 30 20 JKED CC(C)(C)c1ccc(N2CCC(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)cc1 728022236 NOJGJBXHOCJXNW-UHFFFAOYSA-N 457.574 5.427 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 728185154 HDKPCFMZQVPPPX-UHFFFAOYSA-N 490.625 5.018 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 728412816 XBFDMVHRPGYSMQ-YCRPNKLZSA-N 471.479 5.307 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1Cl 728777884 MPIVOZLNPGOYPR-DBJTXJBZSA-N 489.066 5.794 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1CCCCC#N 728779324 YIXQZKQMYDAPFJ-FQEVSTJZSA-N 499.434 5.412 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)cc1 729144062 AQWNBBANARXJSE-FQEVSTJZSA-N 480.615 5.011 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 729375779 UBWQYPBMTUHESZ-UHFFFAOYSA-N 483.480 5.465 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccc(Cc3ccccc3)cc2)c1 729669666 IXNFHRXDVPEKSW-WMZHIEFXSA-O 491.633 5.052 30 20 JKED CC(=O)Nc1ccc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730435933 HJBJIRWQTIFFPP-NTCAYCPXSA-N 453.361 5.744 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c1 730443841 GZFBJCGXSBYTNQ-HSZRJFAPSA-N 494.592 5.196 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O)Nc1cc(Cl)cc(Cl)c1 730714312 TTWZLXSHLKYIAN-GOSISDBHSA-N 475.357 5.142 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(Cl)cc1 730717645 QJWVEDXRESJVHF-SFTDATJTSA-N 492.004 5.086 30 20 JKED N#Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Br)cc2Cl)c(C(F)(F)F)c1 731217028 WNUVNZKISDQOHT-UHFFFAOYSA-N 475.069 5.414 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c1 731312159 IODOYXCDSMLHOP-OPAMFIHVSA-N 481.549 5.024 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)c(C)c1 731313558 ZLPACTNKRAAKRO-VWLOTQADSA-N 498.608 5.084 30 20 JKED N#Cc1cccc(CNC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)c1 746531916 INZLHBFMKZVCFX-RCCKNPSSSA-N 477.520 5.050 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3)s2)ccc1S(C)(=O)=O 747065948 FQYRITDAHJXOQG-CSKARUKUSA-N 477.401 5.486 30 20 JKED COc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccc(C)cc4)csc3n2)cc1OCCCC#N 747361693 WPENBEJSQSXPBM-MOSHPQCFSA-N 492.000 6.800 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCSCC3)c(C)c2)cc1C 749863219 NHFFOTRXSWTPCC-UHFFFAOYSA-N 459.619 5.195 30 20 JKED COc1ccc(-c2nc(SCC(=O)c3cc(C)n(Cc4ccccc4)c3C)nc(O)c2C#N)cc1 824946586 AEKPPALXHUSJFD-UHFFFAOYSA-N 484.581 5.171 30 20 JKED CCOc1cc(/C=C2\CCOc3ccc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1 861416271 NZSWFSWUOJRJJR-XMHGGMMESA-N 461.489 5.291 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 914541359 QMASRIMRSXXDND-FDDCHVKYSA-N 493.032 5.443 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 915352399 HPRRFEPLAHJRGC-HHHXNRCGSA-N 454.574 5.090 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)c12 915574757 OUWPYAKBNJWNNL-UHFFFAOYSA-N 478.574 5.050 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1-c1ccc(F)cc1 915644741 OAKRMJSYFJXAOM-QHCPKHFHSA-N 457.530 5.319 30 20 JKED CCN1C/C(=C/c2ccc(OC)c(OC(F)F)c2)C(=O)/C(=C\c2ccc(OC)c(OC(F)F)c2)C1 916137818 BGRGDRBJIBHIPQ-XFQWXJFMSA-N 495.469 5.278 30 20 JKED COc1cc(/C=C/C(=O)c2cc(C)sc2C)ccc1OCC(=O)Nc1ccccc1Cl 916155795 BOSVBWBSAKCAFH-CSKARUKUSA-N 455.963 5.941 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccco1 916215009 CKVCWEXYWKGQMR-FQEVSTJZSA-N 498.948 5.310 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 916845772 JEDDPDNLNFJFOK-MRXNPFEDSA-N 481.002 5.472 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 916884009 XWJMSAGEFTWOTG-QFIPXVFZSA-N 495.926 5.354 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 916888788 YWOMHJBOXJXMRJ-KRWDZBQOSA-N 495.536 5.272 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1nccn1-c1cccc(C)c1C 916907139 LDVANKWATYSUDL-OAQYLSRUSA-N 460.603 5.054 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(COc2ccc(F)cc2)n1 916909555 POUPKQPXFGVYPF-FQEVSTJZSA-N 487.512 5.615 30 20 JKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916932474 WFVRODUBKDTOIF-INIZCTEOSA-N 460.342 5.229 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1OCC 916938852 OEXSKCFJWXIJIA-OAHLLOKOSA-N 465.333 5.151 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CSc3ccc(Cl)cc3C2=O)cs1 917560138 RRRXTSODTGHYOM-JYRVWZFOSA-N 461.395 6.507 30 20 JKED CC(=O)Nc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C)c1 917664096 FAJAKFQPMCWKHI-DEOSSOPVSA-N 486.597 5.114 30 20 JKED CC(=O)Nc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)c1 917670062 ZIAOOMKKOMERSV-XMMPIXPASA-N 486.597 5.114 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C(C)C)c1 917713802 QDRRYVKEBNOWQR-NRFANRHFSA-N 475.561 5.085 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918418442 AJMVQZHRPBCUOJ-ZHRRBRCNSA-N 466.368 5.807 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918671078 NBWRVNRSIQGICL-BETUJISGSA-N 471.804 5.235 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12 920021212 KGITXOBXTIEGJV-UHFFFAOYSA-N 483.568 5.339 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C 920804521 SXCRDMRXGVKANB-INIZCTEOSA-N 481.553 5.254 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc2ccccc12 920866403 AZHDYTBQTMCDBN-HOYKHHGWSA-N 491.613 5.091 30 20 JKED Cc1oc2c(CN3CCCN(c4ccccc4C#N)CC3)c(O)ccc2c(=O)c1-c1ccccc1Cl 921029067 BFWFETSQPKYZJL-UHFFFAOYSA-N 499.998 5.711 30 20 JKED CC(=O)Nc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)ccc1C 1786041576 LGROYEBHMBKKMZ-UHFFFAOYSA-N 494.595 5.206 30 20 JKED Cc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)n1 1786213792 YFPRQOAUAHRYSV-IBGZPJMESA-N 452.558 5.008 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2)CCC1 1786632139 VPEYJARYURAYBI-VWLOTQADSA-N 489.660 5.016 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cn4ccc(Cl)cc4n3)cc2)CCC1 1789099873 DQTONUUWCPXZBX-NRFANRHFSA-N 462.981 5.504 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Br)nc3)CCC2)cc1 1789456012 ILTQDCUCGRSOFO-OAQYLSRUSA-N 482.422 5.289 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)c1 1789878051 MPCQPVNJGQUMDQ-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Oc4ccccc4)cc3)[C@H]2C1 1790025812 QYAYFLJRWHZTBM-HRNNMHKYSA-N 476.617 5.065 30 20 JKED CCCOc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)ON=C(C)C)CCC3)cc2)cc1 1790337545 HPWSFJQSISSOGT-IBGZPJMESA-N 451.567 5.024 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cc1 1790707590 MAAJGKSUJOIGFK-OUKQBFOZSA-N 469.566 5.001 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccc(Cl)cc5n4)CCC3)cc2)c1 1790764144 WKEMXPYRUULRIS-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)CCC2)cc1 1791586308 OJNDWHCEIUOKIW-UHFFFAOYSA-N 468.479 5.419 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCSC4)cc3)CCC2)c(Cl)c1 1792288896 UBAYDEHBWGMOLA-KRWDZBQOSA-N 453.995 5.103 30 20 JKED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1793609909 JUTMOOUPWJYVEK-FXKZBUDASA-N 467.660 5.103 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(Cl)cc2)no1 1796488491 GHGRHJLIFNPUQL-ACDBMABISA-N 455.986 5.239 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1798420879 RUXRMHRCYQFGND-ACDBMABISA-N 497.693 5.112 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1OCc1ccccc1)C(F)(F)F 1799339098 HFAZWEKTFOGJDD-REPLKXPHSA-N 492.925 5.289 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCCc4c2[nH]c2ccc(Cl)cc42)C3)c1 1799603452 QIPFOOFLHIIHTQ-ADYITMSISA-N 487.003 5.065 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 1802491038 FLGBLUCYRXPPQN-VLYJIQRVSA-N 463.597 5.023 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)[C@H]1c1cccnc1 1802499839 JSSMTSXRIVQTBN-INEVDKGJSA-N 475.633 5.192 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1802733292 CLORDNVKGLMWNE-KIFXHHALSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1803084184 OYHDEUWRIJVXSU-UGKGYDQZSA-N 475.511 5.090 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1803091782 RENSGRMPMUZDNU-JPYJTQIMSA-N 473.951 5.101 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1 1804176424 PLFKCIOENYZPHA-SHQCIBLASA-N 491.701 5.217 30 20 JKED O=C(C#CC1CC1)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)C1 1805886515 PWGMGMDJIRGGER-UHFFFAOYSA-N 477.608 5.160 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)COc4cccc5ccccc45)C3)CC2)c1 1806668857 NAWZDYFRWIUBFN-QHCPKHFHSA-N 495.623 5.391 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Br)cs2)[C@H]1c1cccnc1 1808472992 UHSLOKVZYKFSCV-FXAWDEMLSA-N 490.467 5.218 30 20 JKED CC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)C1)c1ccccc1 1809014788 WABCQLZGXLEJFH-SANMLTNESA-N 487.644 5.384 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1810175456 RWFBPNPVGYZXSU-SQGPQFPESA-N 478.445 5.538 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1810493882 BBFZNAHBWPMABH-YIXXDRMTSA-N 472.633 5.194 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3cccs3)on2)[C@@H]1c1cccnc1 1810498646 OGEZUJCEGFJIMJ-WMZHIEFXSA-N 478.618 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3cc(C)[nH]c23)[C@@H]1c1cccnc1 1810500263 NVJOQGFBDSVDNQ-WIOPSUGQSA-N 458.606 5.183 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cccc4c3OC(C)(C)C4)C2)CC1 1810722170 XTUJJZUOTRBICS-UHFFFAOYSA-N 450.623 5.013 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1811217314 AJGJNVJBYGOZAJ-LGVFNWMJSA-N 451.998 5.131 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(C)c1 1811785350 XWFWGXYVCQWTSB-RPLLCQBOSA-N 475.709 5.069 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)[C@@H]2c2cccnc2)cc1 1811897258 HGYLWRNMKUUINJ-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812671777 LXJNXMGSAOQFTM-YADARESESA-N 489.522 5.512 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1813057596 GVXGIMDXSRTBRI-IBVKSMDESA-N 470.598 5.187 30 20 JKED CO[C@](C)(C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](S)C(C)C)[nH]n1)c1cccc2ccccc12 1814406525 FTDCOBALAWIXBQ-GYZWWNDVSA-N 494.661 5.071 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1814738430 CTMUHZHXEYDVGA-AREMUKBSSA-N 477.568 5.373 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1815245408 NGBPRNCHWJUFNI-NTKDMRAZSA-N 491.617 5.207 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(F)ccc2Cl)n[nH]1 1815574442 QGYZDYXEPVCLIQ-RXVVDRJESA-N 458.965 5.205 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2scnc2C2CC2)n[nH]1)c1ccccc1 1816254892 JRUFZLDQUOQIEJ-IFMALSPDSA-N 487.629 5.247 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5c(Cl)cccc5s4)sc3C2)C1 1818571991 GOHPWWSUFAQQGG-CYBMUJFWSA-N 458.008 5.203 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cn3ccnc3)cc2)[nH]n1 1819303401 HPBWOCDXSBUJBD-NYUHFOLESA-N 498.631 5.128 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C(C)C)nn3ccccc23)[nH]n1 1819305822 ONBAJLARJVFDOG-FPOVZHCZSA-N 474.609 5.255 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820088450 RWIGZABQKNFMGS-QFIPXVFZSA-N 484.560 5.046 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821107544 BZFREBBHXGTDMN-QGZVFWFLSA-N 497.846 5.051 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccccc3c2Br)n[nH]1 1821534722 LMJPTUOKGVZLQY-LJQANCHMSA-N 494.393 5.181 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(F)c(Br)c2)[nH]n1 1821923411 IRFWSBSOAATHDX-YWZLYKJASA-N 491.405 5.148 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1821984683 XIJLESTUQKLTCZ-LJQANCHMSA-N 480.943 5.126 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)[nH]n1 1822383745 ICNRROAJJRNQNU-KKSFZXQISA-N 499.036 5.266 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)[nH]n2)c1 1823212738 YXGHKRJRVGLBIM-KSSFIOAISA-N 467.982 5.371 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cn(C(C)C)cc3C(F)(F)F)CC2)C1 1823700615 ZEYODTIGFJJQLO-JOCHJYFZSA-N 465.560 5.287 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1823752756 YSCSBUAJLWAVID-OAQYLSRUSA-N 453.652 5.522 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 1823812252 MNXFWEOHVOAWKX-NDEPHWFRSA-N 465.597 5.187 30 20 JKED Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)c1 1823887925 RIHPZKPHVOABLU-HSZRJFAPSA-N 496.652 5.125 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)CC1)c1cccs1 1823937673 ZXBQKCZQYKZHKV-SHBDEGQCSA-N 489.012 5.213 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)c1 1823973697 HIQWVQJRDBXUJL-BCHFMIIMSA-N 494.035 5.257 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1823976200 WTBRZDFGMFXIPI-MHZLTWQESA-N 493.598 5.022 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1824053414 XJJJVHCGOAFIDD-WOWPOYAISA-N 495.623 5.570 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 1824504841 GEBOGFPEBMKACS-SAZLYLDSSA-N 454.655 5.027 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1824862857 HJYOXOTVUBVBLD-NDEPHWFRSA-N 471.645 5.052 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1825951636 VAAJZGYAELMAGN-RUZDIDTESA-N 493.623 5.372 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684757 RHOMNCBKFCBRCU-RGPPVUSESA-N 496.698 5.071 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cnccc34)CC2)c1 1828656252 FEUSAPYUEICDEG-PIKZIKFNSA-N 480.612 5.409 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2Cl)CC1 1828822117 XDVGKEJCLKNOJK-ISKFKSNPSA-N 461.021 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)CC1 1828830547 PPAWYJAEIDDBJN-QHGKVXFQSA-N 491.720 5.504 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1828831679 XJDPHKLBSSEGMJ-LMSSTIIKSA-N 499.655 5.563 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828907395 ANACUANICWCGDP-BTPKJCKWSA-N 479.741 5.156 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cc4ccc(F)cc4)c3)CC2)c1 1830451102 WNDKRXTWIDBUBW-NDEPHWFRSA-N 498.602 5.163 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c1 1830573088 OQBBMEPEKYRHKA-QFIPXVFZSA-N 471.935 5.037 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1830599190 GLKSSOPPAGWJFV-AREMUKBSSA-N 473.617 5.283 30 20 JKED O=C(C1CC(F)(F)C1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601752 OQRSJVCQQOMSOX-HHHXNRCGSA-N 490.594 5.365 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1F 1830627427 WWRMCXQVJOXPOQ-MHZLTWQESA-N 475.608 5.066 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC#N)CC2)cc(C(C)(C)C)c1 1830644028 UJAUWJJVULZCAH-RUZDIDTESA-N 465.682 5.819 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830826822 RQPCNGNJIJSKID-DHIUTWEWSA-N 474.070 5.076 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177862 IXXARTPURKXWGF-IDISGSTGSA-N 473.617 5.007 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1831445925 MWIROVAYTMDTLY-NRFANRHFSA-N 463.956 5.266 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCc3ccccc3O2)CC1 1831810458 JVPRZPHTMFELSV-XNMGPUDCSA-N 494.752 5.051 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1832030169 IDNOAUHHISSPQZ-HSZRJFAPSA-N 478.555 5.141 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 1832634890 QIAPYDNKBIZQGO-IBVKSMDESA-N 478.036 5.443 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2cc3occc3n2-c2ccccc2)C1 1844633836 ITVMOMCYTGDGGU-UHFFFAOYSA-N 487.676 5.092 30 20 JKED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)c2ccccc2CSc2ccccc2)C3)ccc1F 1845203571 AGCRRFJMHZQLBM-UHFFFAOYSA-N 499.611 5.049 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(-c2ccccc2)cn2ccccc12 1847532785 YUBYJWOEDRAFIR-DQEYMECFSA-N 453.586 5.190 30 20 JKED C=CCn1c(SCC(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1ccc(Cl)cc1 9414519 JSVIHSXBHZSWJI-UHFFFAOYSA-N 495.988 5.343 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2CC)cc1 10174208 DJXRYQBOYIVZAB-UHFFFAOYSA-O 473.540 6.048 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 10258888 BMIMHNDFFFFJHM-UHFFFAOYSA-N 491.158 5.198 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 10693864 RQZSCYXGRRFUSY-UHFFFAOYSA-N 455.489 5.155 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 11149520 TXUISSOEEROYFG-UHFFFAOYSA-N 465.381 5.328 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 11153727 WSHZSFIGUPLJDN-UHFFFAOYSA-O 451.681 6.618 30 20 JKED N#CCCN(C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1cccc(Cl)c1 11646811 QIUNCNZGDFNVDI-QFIPXVFZSA-N 481.021 5.421 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc2ccccc21 11650988 LUCXMPHRHYROEW-LBPRGKRZSA-N 450.442 5.269 30 20 JKED C[C@@H](OC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 12256014 XUDYZMLCRBSCQI-CYBMUJFWSA-N 458.301 5.023 30 20 JKED C=CCn1c(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)nnc1-c1ccc(F)cc1 22162692 CDZBBQLBVLGWCD-ZIAGYGMSSA-N 481.622 5.546 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(C(CC)CC)cc1 22796479 KZKWWWFOTKMESD-UHFFFAOYSA-O 450.455 6.289 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23604079 DXRKVBIYADJGAI-UHFFFAOYSA-O 475.037 6.214 30 20 JKED CCOc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 24393869 NOIAUYGRGCTDAW-YADARESESA-N 483.568 5.162 30 20 JKED Cc1ccc(C[C@@H](C#N)Sc2nc3cc(Cl)ccc3c(=O)n2CCCOC(C)C)cc1 24839328 OORDVDMBLWRXQB-FQEVSTJZSA-N 456.011 5.400 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793620 USLZAEKLSSWMQK-UHFFFAOYSA-O 496.628 5.583 30 20 JKED C=CCc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 302937163 JVJKSDIENRTOMC-FQEVSTJZSA-N 477.388 5.373 30 20 JKED CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCc2ccccc2C1 303003764 YXFNFXUZUWRKEA-UHFFFAOYSA-N 455.627 5.417 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2C2CC2)cc1Cl 303336087 XNHNPFFZNSWMOE-OAHLLOKOSA-N 450.995 6.216 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2COCc2ccccc2)cc1 480318906 IZRHEHSBSSGQOC-UHFFFAOYSA-N 478.617 6.497 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(C(=O)NCc4ccco4)c3)cc2F)c1 481623063 JWQXXMQIHZHADL-UHFFFAOYSA-N 498.514 5.121 30 20 JKED N#C[C@@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 481805658 JHHJUMJIKLOEGA-SFHVURJKSA-N 455.461 5.446 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCCc3nnc(-c4ccccc4)o3)s2)c(C(F)(F)F)c1 487392157 UDEACEDJXUFYFI-UHFFFAOYSA-N 497.502 5.636 30 20 JKED N#CCc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)c2ccccc2I)cc1 506155632 LAEZUWGTJVBKKO-OAQYLSRUSA-N 485.300 5.407 30 20 JKED Cc1sc2ncnc(SCCC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c2c1C 508878528 MPIHETGABFHMHT-UHFFFAOYSA-N 466.510 5.242 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 509888724 CWCFQFANJHXZED-SANMLTNESA-N 471.557 5.718 30 20 JKED C[C@H](c1ccccc1)n1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccccc1 510204987 DTMZMLQDXIBMAI-LJQANCHMSA-N 485.638 5.901 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ccsc2)no1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 512099385 NAYGIAGREPXPME-UHFFFAOYSA-N 491.425 6.380 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 512223367 BGMMIHRXYRLHTP-OAQYLSRUSA-N 487.394 5.251 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2cccs2)cc1 512581294 GAAYZIHMAVLOEH-QLXKLKPCSA-N 471.630 5.631 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)CC1 515512873 UNTZHORGXHPBJA-JUTYNXCLSA-N 474.564 5.337 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 517529773 UCKBWUDKBFLEEV-ZDUSSCGKSA-N 467.473 5.241 30 20 JKED CN(Cc1ccccc1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CCCCC1 517834717 RSBYHVKTLFLECL-UHFFFAOYSA-N 496.611 5.370 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(OCC)c1OCC 518870569 DGWNBSVDOFGZMF-HNNXBMFYSA-N 472.513 5.774 30 20 JKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)co2)cc1 519030374 SJZFPRCCPOVRDE-UHFFFAOYSA-N 452.514 5.987 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 520813795 UCRBOVAAFPEVOQ-GOSISDBHSA-N 461.543 5.597 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl 521122069 ZUOJVUSNWOSFGG-UHFFFAOYSA-N 465.893 5.194 30 20 JKED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 522491735 LVFOZLBXENQRRU-QGZVFWFLSA-N 496.394 5.324 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cc1 523197821 BIVXTIAUQAOJQJ-UHFFFAOYSA-N 466.368 6.229 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(I)cc2Cl)cc1 524381937 AHVKWXWYAOOFES-UHFFFAOYSA-N 480.733 5.011 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccc(NC(=O)c2ccccc2)c1 524382514 GHIUROFPHCPLNY-IBGZPJMESA-N 465.509 5.474 30 20 JKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524438170 SQMJPQQMJDDCET-UHFFFAOYSA-N 476.964 5.455 30 20 JKED CSc1nnc(CCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1C1CCCC1 524664717 ZVNKVFPOSOIQCN-UHFFFAOYSA-N 476.606 5.533 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 524707562 XGDGRRCPZXRQHD-RPLLCQBOSA-N 499.014 5.799 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 559849351 OFBPEQXVKKFSTR-UHFFFAOYSA-N 479.458 5.422 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccsc2)oc1C 588349862 FNPLCHCENKFWTE-UHFFFAOYSA-N 458.996 6.014 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)c1 589552966 RUSKMLJZXJBEHB-UHFFFAOYSA-N 466.559 5.012 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 590236865 HCRNPAHBQDIIJD-LJQANCHMSA-N 476.960 5.718 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)cc(OC)c1OC 590257683 FSNUTYYELTUFFC-UHFFFAOYSA-N 484.552 5.820 30 20 JKED Cc1nc(C)c(C#N)c(SCc2nc(O)c3c(-c4ccc(Br)cc4)csc3n2)n1 600818812 DLYJCLBTTQXQEE-UHFFFAOYSA-N 484.404 5.397 30 20 JKED C=CCn1c(SCc2csc(C(=O)OCC)n2)nc2scc(-c3cccs3)c2c1=O 603601124 HGWONTZZNPEBHL-UHFFFAOYSA-N 475.642 5.298 30 20 JKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c12 603671911 INHMQXNKCTYGHC-UHFFFAOYSA-N 496.518 5.344 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OC(F)F 603690505 KONGVRXFWCYHCI-UHFFFAOYSA-N 454.433 5.019 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2cccs2)cc1 604138798 JHIOZTBDQHSXDW-SANMLTNESA-N 496.592 5.775 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 608804016 OUSQKNHANAMWBX-HUUCEWRRSA-N 460.374 5.370 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1nc2ccccc2s1 609079012 WYGJLSVCGSZXOQ-GOSISDBHSA-N 456.571 6.280 30 20 JKED C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(NC(=O)c2ccccc2)c1 609082897 CKVRIXYGCJXIHD-HNNXBMFYSA-N 450.445 5.295 30 20 JKED Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C 609379220 OVMIRFUCLRDPJF-UHFFFAOYSA-N 459.471 5.037 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609438887 ZNWXCJXHZKZJCI-KOSHJBKYSA-N 491.588 5.267 30 20 JKED C[C@H](Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C)C(=O)Nc1ccccc1C#N 612646058 GNUFKRIYVXEXAU-ZDUSSCGKSA-N 481.002 5.306 30 20 JKED Cc1cc(C)n(-c2ccc(NC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2F)n1 613100826 UHQHHPJOPNITGJ-STQMWFEESA-N 466.401 5.659 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc2ccccc2n1C(F)F 613401954 UXFKCMVDGSOJQF-IBGZPJMESA-N 451.860 6.154 30 20 JKED O=C(NCc1ccccc1OCC(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615871995 XMLVRJNCHVLWMT-ITGUQSILSA-N 466.344 5.336 30 20 JKED O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301362 OHLJCKVLMKFOBE-HZPDHXFCSA-N 486.431 6.496 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618552318 OKHZVXYXNKOLHF-ZIAGYGMSSA-N 465.369 5.285 30 20 JKED O=C(CCc1ccc(Br)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 621029772 VCPQWDHIIQFNDR-QWRGUYRKSA-N 464.219 5.547 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281927 RXDVBQIKKYFAHJ-IBGZPJMESA-N 451.960 5.989 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 726319456 IPJAQTKXVWZCBA-GOSISDBHSA-N 496.470 5.613 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 726394247 TYZNGOATMNVCHR-MBSDFSHPSA-N 461.587 5.225 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 726403123 YNECPCDKGBAJID-LIRRHRJNSA-N 480.417 5.379 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3cscn3)C2=O)cc1 726404931 ASQUVWYKAYYCNB-HXUWFJFHSA-N 496.017 5.137 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2ccsc2)C1=O 726419991 GYSHJQTXRFVWCF-QGBHTJAESA-N 485.656 5.408 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(C3CCN(C(C)C)CC3)C2=O)cc1 726422110 UWOZXRWEIDRDFL-PHZPGBNNSA-N 498.718 5.319 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(OC)cc1OC 726571358 VAVSTYBIMPSIRP-UHFFFAOYSA-O 480.997 5.402 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c4c(c3)OCCO4)SC2=S)cc1Cl 726627912 VTVTUDGOKAIWLY-FRKPEAEDSA-N 493.791 5.151 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1 727624343 XBCBWFWIPIEKEW-HSZRJFAPSA-N 477.486 5.147 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 728426217 XXROVGRAROATOP-UHFFFAOYSA-N 479.587 5.004 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1nccn1CC(F)(F)F 728699109 RRNARHBORARWAY-VOTSOKGWSA-N 456.287 5.536 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(C)c2)c1 729668165 FCZJQMWNBGSULK-UHFFFAOYSA-O 464.350 5.020 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1 730710772 ROVDUFQNDNQUJZ-JOCHJYFZSA-N 474.517 5.127 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cocn1 730711037 XJRKKHLPCPFUJG-HXUWFJFHSA-N 482.993 5.414 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cocn1 730713500 SRVZFRQKSYEQGP-IBGZPJMESA-N 489.384 5.450 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3Cl)N(Cc3cocn3)C2=O)cc1 730716768 XKAIIDIMFXNLEZ-LJQANCHMSA-N 489.384 5.450 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@@H](C)c2cccnc2)c1 730943716 JWQWIMQFZPTXSF-HTAPYJJXSA-N 489.557 5.020 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944586 YLOJKAYAUBTGCJ-QMHKHESXSA-N 494.567 5.644 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccccc2SC[C@H](C)C#N)c1 730954905 NYIWFXIHOIJGLC-MRXNPFEDSA-N 476.693 5.086 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 731059506 BZFOARHDCWRKSY-SFHVURJKSA-N 487.606 5.757 30 20 JKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 731059950 AEGBPUXMPUSURU-IBGZPJMESA-N 486.593 5.582 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12 731064185 ULDMUKYIRVDKKC-KRWDZBQOSA-N 458.539 5.562 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 731114345 OQAOEIILALNMHV-INIZCTEOSA-N 478.540 5.115 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 731126351 UBSKFDHFTUPQEI-ULQDDVLXSA-N 479.568 5.467 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731307569 UJWLRRKQKWOVAX-XZOQPEGZSA-N 493.535 5.318 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)cc1F 731308713 MKZUKGJBVJLEOD-ZHRRBRCNSA-N 481.549 5.024 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CCC2)C1=O)Nc1cccc(O)c1 731311244 ZLGAXTRTJWAEMX-SFHVURJKSA-N 464.374 5.212 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cc(C)sc2C)c1 743514230 MMFCIACAMJYWPN-JLTOFOAXSA-N 459.612 5.174 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)cc1 745302985 RPWOKRPTEUGADH-NRFANRHFSA-N 482.367 5.173 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCOC(C)(C)C)C2=O)c1 746695336 FGDNOXPCAAKKIU-NRFANRHFSA-N 471.598 5.218 30 20 JKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 748443235 LNCZXYZFFUYIBR-QFIPXVFZSA-N 462.594 5.599 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 748585304 YPOSXGGZKVNTEC-ZHACJKMWSA-N 456.329 5.399 30 20 JKED COc1ccccc1NS(=O)(=O)c1cc(N=Cc2cc3ccccc3nc2O)ccc1Cl 912773348 LKKQFKWLXRRMTA-UHFFFAOYSA-N 467.934 5.154 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C)c3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 914446019 MRCAAUJAUMKCLX-VPGDJBLGSA-N 497.595 5.246 30 20 JKED CC(C)CN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc(C#N)cc1 914510438 LSFXGVLMWKFVPC-DEDYPNTBSA-N 469.657 5.290 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914694191 DQYHOVLCYKTLAR-IERDGZPVSA-N 467.591 5.479 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)o2)cc1 915087062 ZSJXDVCCLBTVKM-QFIPXVFZSA-N 456.527 5.131 30 20 JKED N#C[C@@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103000 NIIGCQBUCYNIOP-JUZOYQPNSA-N 480.655 5.861 30 20 JKED Cc1ccc(NC(=O)COC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(Br)c1 915512228 PVILGXLBGIDBFL-UHFFFAOYSA-N 479.330 5.004 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 915656229 HPFVFORGGLBEQS-RSXGOPAZSA-N 455.945 5.898 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2ccc(C)c(C)c2)cs1 915919300 QIYBIBKDXWPNEE-UHFFFAOYSA-N 458.012 5.418 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C=Nn1c(S)nnc1-c1ccc(OC(F)F)cc1 916333767 URNSAJLSGPVBDK-UHFFFAOYSA-N 488.951 5.232 30 20 JKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888581 WVHHBTGFQPSJTH-HZMBPMFUSA-N 459.301 5.423 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1-c1ccc(F)cc1F 916911133 VVHKGPOHTONVTN-LJQANCHMSA-N 472.451 5.212 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 916914848 WHQVDGDSVUBSLM-GOSISDBHSA-N 452.605 5.090 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2[N+](=O)[O-])n1 916919751 ZQGKXMRNVAJBNC-GOSISDBHSA-N 488.550 5.625 30 20 JKED N#C[C@@H](C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)c1nc2ccccc2n1C(F)F 917040316 LBXQIMBEUDZTBZ-IZQLPPHKSA-N 487.495 5.021 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n1 917044300 SICMYMLPAIGHJH-INIZCTEOSA-N 489.569 6.862 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1 917505055 JEAVMZKYFUDFEW-SFHVURJKSA-N 481.599 5.071 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cccc(OC2CCCC2)c1 917544436 GDCVZTVOIAWOKH-UHFFFAOYSA-N 463.390 5.656 30 20 JKED N#Cc1cccc(COc2cccc(N/C=C3\C(=O)N(c4ccccn4)C(=O)c4ccccc43)c2)c1 917600711 FVCOCPJCSRHIEK-ITYLOYPMSA-N 472.504 5.172 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2F)s1 917662598 FCKURPPDWMEAKJ-NRFANRHFSA-N 467.591 5.034 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)c1 917674745 PNJRQBGMNJMBRY-HSZRJFAPSA-N 477.561 5.133 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)cc1 917680372 BXIQJOARAYDBSU-ISJGIBHGSA-N 490.673 5.145 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3sccc3C)C2=O)cc1 917703044 KKTPRMJIGIDDGQ-OAQYLSRUSA-N 474.611 5.397 30 20 JKED Cc1oc2cc(OS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2c(=O)c1-c1ccccc1 917854543 FDJPSJIBCRJDTR-UHFFFAOYSA-N 451.887 5.061 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1OC 918095761 IUMNRPBRVLPSRB-YRNVUSSQSA-N 452.894 5.411 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 918169410 FUMGPTLYLSAQOE-RGEXLXHISA-N 460.621 5.083 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nnc(C)n3-c3cc(C)ccc3C)n2)cc1 920142007 JLLHJYYBBNQIHY-FQEVSTJZSA-N 489.626 5.293 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3nc(-c4ccc(F)cc4)no3)n2)cc1 920143173 UPJNVTGNBQRXQQ-IBGZPJMESA-N 457.490 5.070 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 920804598 WSLTYDZIQVOUTI-QGZVFWFLSA-N 466.513 5.209 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C 920892200 JNRIARIFERUGTJ-RBUKOAKNSA-N 478.980 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)C1 1782115274 YUDXREDABKMWMY-INNMJMHTSA-N 499.095 5.434 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C(F)(F)F)c2C)C1 1783043970 WAOXPFAKPXOKJN-PXDATVDWSA-N 480.571 5.134 30 20 JKED COc1ccc(F)cc1CC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785797889 SUASUNIOAPRGFP-UHFFFAOYSA-N 485.559 5.015 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@H]4CCc5ccoc5C4)CCC3)cc2)c1 1786036278 ZMUVBSJUZSYPKE-QHCPKHFHSA-N 467.569 5.023 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCc4ccccc4[C@H]3O)cc2)CCC1 1786173546 IPNGVFWBIIHJHP-DMTNHVFBSA-N 458.602 5.185 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)CCC2)cc1 1786393589 GOBIQBAESVUQHL-NRFANRHFSA-N 457.546 5.148 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCCC4(F)F)cc3)CCC2)cc1 1786462241 RBUQYCCIUNUVSR-QFIPXVFZSA-N 451.517 5.060 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951672 QANQCVOXWSYAQM-GVUKDKGQSA-N 475.658 5.418 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789188898 DLUODHXSKQUOTL-QFIPXVFZSA-N 495.664 5.351 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4Cl)cc3)CCC2)cc1 1789704439 KQADPEWANYDJHF-UHFFFAOYSA-N 465.340 5.322 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790554264 ZEXRSIUEKJDHIO-NRFANRHFSA-N 469.626 5.008 30 20 JKED Cc1ncc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)s1 1790767676 GZVOMQKZAHXCNJ-CSKARUKUSA-N 476.989 5.438 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791252106 HVNDTUMQPQWYCT-UGKGYDQZSA-N 471.642 5.130 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)CCC1 1791399710 YVQPJTFQITZDMF-REWPJTCUSA-N 495.664 5.370 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccccc4O)CCC3)cc2)c1 1792127293 VCCUWYLVAYMHBE-IBGZPJMESA-N 453.542 5.010 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Br)c3)CCCC1)C2 1801642165 PMCOOUXKFFDKES-MVWVFHAYSA-N 473.455 5.111 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1Cl 1802729739 JOKUXMLSZJXMCM-JYFHCDHNSA-N 496.127 5.414 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)C(C)(C)Oc4ccc5ccccc5c4)CC3)C2)C1 1804782159 HUVIXDDVTDCDNS-UHFFFAOYSA-N 460.618 5.195 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)CCCCCCCCCCC(=O)OC)CC3)C2)C1 1804787788 SBINZMBPIOVHAJ-UHFFFAOYSA-N 474.686 5.258 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)CCc4ccc(Cl)cc4Cl)CC3)C2)cc1 1804946529 FOBJKRSMAMFSTJ-UHFFFAOYSA-N 498.454 5.272 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2Cl)[C@H]1c1cccnc1 1806535008 PUGKDXPQJBAYIS-WNCULLNHSA-N 496.127 5.035 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC3(CCCN(C(=O)c4c[nH]c(-c5ccc(F)cc5)c4)C3)CC2)cc1 1807695604 PKCZACGBTXXANI-UHFFFAOYSA-N 498.602 5.170 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 1809253165 PVPXQAURYOJBOW-BRBPODBZSA-N 478.552 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810173103 FEBURRHVZOWIGM-CDNPAEQRSA-N 489.513 5.328 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1810173982 KOVPPDXUGGBPLK-GYZWWNDVSA-N 491.607 5.098 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1811748992 IIZWHJCCTIPHTK-PAGNRNNLSA-N 493.051 5.533 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1C 1811872308 TWTGIMZXKFHEIL-AHKZPQOWSA-N 475.709 5.069 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@@H]1c1cccnc1 1812596409 QIQKOHIRBMISNG-JXHRLWIKSA-N 485.550 5.050 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1812787501 NJBBHAHNXMOQAD-UXCLWCCASA-N 493.051 5.533 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1812903463 IFZRCAXPQRYQRA-BEVVLCPKSA-N 479.024 5.143 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1812903721 MFSPMYMCVKYDMT-VWXAATNXSA-N 479.024 5.143 30 20 JKED C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1cccs1 1813340579 KXZJIIHJXFQZEB-HOKHCIIBSA-N 481.738 5.004 30 20 JKED C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1cccs1 1813340588 KXZJIIHJXFQZEB-NIRIFSCTSA-N 481.738 5.004 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(F)c1F 1813842965 GNLPKPFMKIEHLJ-HFZDXXHNSA-N 497.662 5.039 30 20 JKED Cc1cc(Cl)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1814593366 LFWWMRPAADGNJA-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)[nH]n1 1814830052 NLZLEJVFTNZPSD-FQEVSTJZSA-N 488.991 5.214 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)c2[nH]1 1818115409 AKXPGGDWXSHXSX-CTDFXDFQSA-N 487.585 5.006 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)c1sc2ccccc2c1Cl 1818607499 YIKDAOGMCPIVDK-CMPFEXHJSA-N 499.040 5.055 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1818797524 DKZMAJYSNXXLHZ-DEOSSOPVSA-N 487.629 5.007 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(Br)c3[nH]2)n[nH]1 1819131253 UKPSKGHAFCJAEV-LIRRHRJNSA-N 484.398 5.172 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)cc(OC)cc2C)[nH]n1 1819308937 ITPASPSVSGBFKM-IFMALSPDSA-N 450.583 5.109 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819962972 FAJHBPCZMJXDPZ-SWLSCSKDSA-N 461.440 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(=O)OCC)c2F)n[nH]1 1820175945 OQIJFMGKMBBXNA-FQEVSTJZSA-N 484.572 5.024 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)c[nH]2)n[nH]1)c1ccc(Cl)cc1 1820310166 ROTGFHWYYLGKQP-FYYLOGMGSA-N 478.984 5.009 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1)NC(=O)OC(C)(C)C 1820806971 GBSYQDZNTKRSJG-FPOVZHCZSA-N 487.645 5.008 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2Cl)n[nH]1)c1cccs1 1821124114 LLTUPACDZXBYAX-GFOMBABLSA-N 486.956 5.009 30 20 JKED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4c(ccc5ncccc54)s3)sc2C1 1821182985 YCULWFIQFYQUJN-CQSZACIVSA-N 494.667 5.051 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)n1 1821278673 QOZJNMRZNBTYCQ-IBGZPJMESA-N 482.997 5.134 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)[nH]n2)cc(C(F)(F)F)c1 1821310239 OYSGYCHKJFKSJQ-MHNQQFQPSA-N 485.510 5.352 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821522009 CDBPIZQMYGXUMQ-XMMPIXPASA-N 497.599 6.225 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1821920545 IOOAEZDDQIKEFL-NYHFZMIOSA-N 465.985 5.438 30 20 JKED CC(C)(C)CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)[nH]n1 1822116440 ZFCKWOKMDIQQCZ-QFIPXVFZSA-N 489.624 5.460 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cccc2OC)n[nH]1 1823248710 QNZVOABHRWMLJC-LJQANCHMSA-N 456.974 5.146 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1823925340 RYJSNOAPXADGHK-DFBJGRDBSA-N 477.580 5.008 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1824056013 MHPNJOWADLNNFM-QPTSNOEKSA-N 495.667 5.232 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nn2-c2ccccc2)CC1 1824141269 MEAQANIMXUOPJF-AREMUKBSSA-N 474.649 5.182 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(Br)nc2C)CC1 1824142334 ORTPIEHCBPULAJ-IBGZPJMESA-N 494.499 5.216 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824268535 KDUNUWGOSIIKHQ-HHHXNRCGSA-N 496.692 5.660 30 20 JKED CCOc1c(F)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1Cl 1824542045 RCJIDXDOYAACRW-IRLDBZIGSA-N 485.065 5.066 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1826195407 RPRBRSBTQSKWNZ-DVECYGJZSA-N 479.024 5.218 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CC2)CCC1 1827379824 LFHZRNAZNYFGCV-AREMUKBSSA-N 495.627 5.157 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827997505 SOJRZOCZDPDCAQ-GDLZYMKVSA-N 479.624 5.549 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)CC2)CCC1 1828166294 MCNRCKGKLRPGOY-LJQANCHMSA-N 470.038 5.482 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cncc(C)c2)CC1)c1ccccc1 1829029464 BCEBZJVCAQKQET-FQLXRVMXSA-N 485.672 5.140 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829747988 QUEIDEINRSPVMU-ZEQKJWHPSA-N 460.622 5.078 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)cc1 1830016854 MNFPEYKQSCLPOL-HHHXNRCGSA-N 486.591 5.045 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)CC1 1830274909 PALFETFAXNFKCZ-URXFXBBRSA-N 493.051 5.165 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830535141 LCFXRXWQCPGAMQ-JOCHJYFZSA-N 466.519 5.271 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c(Cl)c1 1830722740 PKKIBGJDNOEYDU-HSZRJFAPSA-N 488.390 5.551 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831306856 KSFHYRVRJRPJIY-MBSDFSHPSA-N 481.464 5.137 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1831373356 CODGWBXHGKVWRG-DFBJGRDBSA-N 456.602 5.060 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1831447564 YOCYOAYBQVGKRG-QHCPKHFHSA-N 495.570 5.873 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1831737455 CWXFPSJKBKTEST-XMMPIXPASA-N 484.681 5.249 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1832629441 QLDJFCDIQBHTRX-DCFHFQCYSA-N 493.598 5.458 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 1832634468 MGAKXRXVTNCXGU-IBVKSMDESA-N 478.036 5.443 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCC2)CC1)NC(=O)OC(C)(C)C 1832755517 YRMZDOAXKONZFX-DHIUTWEWSA-N 489.701 5.046 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccccc4o3)CC2)CC1)c1ccccc1 1838227299 KHOGFPLGYOKQQO-HHHXNRCGSA-N 498.623 5.242 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Oc4ccccc4)cc3)C2)c1 1845313670 FNQZUUKDGHYKPA-NRFANRHFSA-N 465.553 5.237 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(-c4ccccc4)n4ccccc24)C3)c1 1846828126 BZNOTKMZISQYHR-JOCHJYFZSA-N 488.591 5.364 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3 9332257 JDZHSIZJOXXNIQ-UHFFFAOYSA-N 496.614 5.129 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2ccc(C)cc2C)cc1 10169092 SXXIHXXBWQPGHI-UHFFFAOYSA-O 492.665 5.716 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(CO)c2)c(C)n1C 10172381 WUSXJKIYOTXUID-UHFFFAOYSA-O 486.617 5.265 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179046 KUMOTKQOJOBYPH-UHFFFAOYSA-O 475.377 5.802 30 20 JKED N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)c(F)c1 10319142 WSVDJQZDFUQGCR-UHFFFAOYSA-N 466.339 5.395 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1 10399442 CLXGVTMDWAROEE-UHFFFAOYSA-N 451.804 5.266 30 20 JKED N#CCCN(C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1)c1cccc(Cl)c1 12105669 AOMATVSLKDBVPJ-UHFFFAOYSA-N 488.016 5.550 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)[nH]c(=O)c2c1C 14905676 SIAOJNHQVCQYKR-INIZCTEOSA-N 475.595 5.367 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(OCc4ccccc4)cc3)NC2=O)cc1 15231842 UIKFEGJOBFDASE-XMMPIXPASA-N 489.597 5.302 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccc(Cl)cc3)n2)n(Cc2ccco2)c1C 16458213 UKZVWKOPFVUXQH-UHFFFAOYSA-N 494.960 5.190 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1 16823209 PULOSHCXJDWTPI-CYBMUJFWSA-N 466.916 5.923 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 21244961 XZJBDLFXCBDSLP-UHFFFAOYSA-N 486.022 5.192 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 22217377 BVCZNUHVEYVOBP-NSHDSACASA-N 452.342 5.091 30 20 JKED COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)sc2C)cc1 22295842 IKTUGUAZKCXZIC-KRWDZBQOSA-N 478.570 5.233 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 22732531 FKKOCDHAUBCAQZ-UHFFFAOYSA-O 497.221 5.800 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)cc1 29202877 NKBDIHTWWYNONI-UHFFFAOYSA-N 478.599 6.050 30 20 JKED COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1OC(C)C 30492668 JUOCVEHSLDIXKU-IAGOWNOFSA-N 455.624 5.362 30 20 JKED COc1cc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)ccc1OC(F)F 45619476 CAIITALLEBRKCM-UHFFFAOYSA-N 465.481 5.160 30 20 JKED Cc1sc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)nc1-c1ccc(Cl)cc1 108893662 SHUVXFGIYFCKLJ-UHFFFAOYSA-N 463.946 5.746 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 110483206 MFAOCTQTWXOOPG-UHFFFAOYSA-N 491.576 6.475 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(-c4ccccc4F)n3)s2)cc1 303031726 RBUTYLRBRSFVOP-UHFFFAOYSA-N 453.549 5.217 30 20 JKED C=C(C)COc1cccc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)c1 303214372 SLCCJSYBORWMES-UHFFFAOYSA-N 453.340 5.114 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)[C@H]2c2cccs2)cc1 303340843 YMBAHDLGZWTKHQ-ZVOVDXHFSA-N 489.666 6.431 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 501127430 GQABDOAPJAUNPA-AWEZNQCLSA-N 488.400 6.253 30 20 JKED O=C(NCCc1ccccc1C(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1 506260891 AMQNJKGFPCVLJE-UHFFFAOYSA-N 452.370 5.487 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)cc1 508145971 HMIPOPKLXXLYCV-UHFFFAOYSA-N 480.568 5.288 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)cc1 508147112 KLQXATQAYUHOFU-MRXNPFEDSA-N 459.409 5.383 30 20 JKED C[C@H]1CN(C(C)(C)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H](C)O1 510024005 QQOLNPBAPLSMGH-SVMVAKDDSA-N 455.002 5.005 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 510238839 HXZWWDPQTSQTNO-LJQANCHMSA-N 481.603 5.088 30 20 JKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)N(C)Cc2cccc(C#N)c2)ccc1Cl 510864853 ADJJKEOKHCBIMP-UHFFFAOYSA-N 460.965 5.538 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510872476 PTQKSLRHEHGKGA-UHFFFAOYSA-N 484.556 5.550 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)nc2ccccc21 510964655 CVUMNSAKNWDXTK-UHFFFAOYSA-N 488.560 6.675 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 511905199 DWDBQVOFCJETSD-HHHXNRCGSA-N 467.569 5.075 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 512438142 AKYJQPASVQLTKP-UHFFFAOYSA-N 465.553 5.784 30 20 JKED Cc1nc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)ccc1C#N 514323589 FULXSGXDJULOQY-SFHVURJKSA-N 472.492 5.230 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 514558472 RCRITKGGVQCEON-UHFFFAOYSA-N 489.535 5.621 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515849394 KJNNOCMDGKLIBF-UHFFFAOYSA-N 493.520 5.368 30 20 JKED C/C=C/c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(OC)c1 517461891 SFUBJPGPPVSUJH-HWKANZROSA-N 450.482 5.770 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(C)nn(Cc5ccccc5)c4s3)n2)cc1 517800770 GWLPMIRKPSALTA-NRFANRHFSA-N 484.606 6.077 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 518190078 JXVCDNUEOIQWBC-UHFFFAOYSA-N 473.920 5.617 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 518248154 FVRXNHZQSMQDBX-GCJKJVERSA-N 477.561 5.095 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3)n2)nc2sc3c(c2c1=O)CCC3 518658617 LWROCFZHVHPSDZ-UHFFFAOYSA-N 494.667 5.063 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3)Cc3ccco3)cc2)c1 518751124 GJABTJYTAQUBPB-UHFFFAOYSA-N 451.482 5.111 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 518882428 DEIPMYIIJAJYJA-MUUNZHRXSA-N 485.584 5.553 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 519459211 DTXQURNSHVYTFF-UHFFFAOYSA-N 477.586 5.063 30 20 JKED CCc1cccc(Oc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cn2)c1 519942114 RCVIALQUDVAJLT-UHFFFAOYSA-N 482.500 5.374 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)o1 519977881 HCRDHLUDKOKFLU-UHFFFAOYSA-N 457.530 5.179 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3cccc(Cl)c3Cl)s2)cc1 521210009 XOOZDELERDRHML-UHFFFAOYSA-N 450.376 5.331 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 521263493 IIHJJQJRHBMFNS-HNNXBMFYSA-N 469.513 6.073 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC1CCCC1 521805167 XUJDUXWCVFYEKW-MSOLQXFVSA-N 481.618 5.227 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 551109935 UOJKMWHNCYOPAT-UHFFFAOYSA-N 456.590 5.447 30 20 JKED C=C(C)COc1cccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 589385123 YWJNUFVHHFCCJW-UHFFFAOYSA-N 453.892 5.564 30 20 JKED Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nnn1-c1ccc(F)c(Cl)c1 595213795 IPAPVZXGLXWIQO-NXEZZACHSA-N 472.792 5.008 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 603457285 GGXYARYIAMCYLK-OAQYLSRUSA-N 454.555 5.093 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCc3cn4ccccc4n3)cn2)c1 603626867 GXGHOXLRSAIPCQ-UHFFFAOYSA-N 477.549 5.938 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)c2)c1 603995089 RYYZWKANZJBKIJ-UHFFFAOYSA-N 495.560 5.037 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)n2)ccc1F 604113122 SKWNNAYGQWYLOR-NRFANRHFSA-N 474.923 6.064 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1[N+](=O)[O-])c1ccccn1 604302693 OPPPTJXHFPKDIY-QGZVFWFLSA-N 480.484 5.474 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1Cl 608892005 XLFKPXUCSGDMFT-QFIPXVFZSA-N 494.929 5.264 30 20 JKED Cc1nc(-c2ccc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)s2)cs1 609078496 UTUCFDKNHZXUOH-UHFFFAOYSA-N 474.611 6.261 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609103978 LWXRCKNURCYKTL-GOSISDBHSA-N 477.561 5.284 30 20 JKED COC1CCN(C(C)(C)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 609355789 XMCAYGZIZPLENW-QFIPXVFZSA-N 455.002 5.006 30 20 JKED COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1OC1CCCC1 609378212 VOYSMQKFQCRXOT-UHFFFAOYSA-N 464.509 6.293 30 20 JKED CSc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1NC(C)=O 613344314 FJFDFBBTNJCBFT-OAHLLOKOSA-N 476.410 6.287 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300938 HSDNKIXEGSVGEC-ZIAGYGMSSA-N 474.380 5.005 30 20 JKED C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 620001964 IOGKYWDKAUDRBA-CYZMBNFOSA-N 480.371 5.897 30 20 JKED C=CCn1c(S[C@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)nnc1[C@H]1COc2ccccc2O1 639395132 YCTVHBIJGGDIMR-QFWMQHCXSA-N 490.629 5.071 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@H](CNC(=O)CCC)C2)c1=S 726183715 DCPNOPARBKHJES-HXUWFJFHSA-N 469.699 5.150 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc(-c2ccccc2)cs1 726321756 MPCAUYYZZGRKKB-SFHVURJKSA-N 469.513 6.371 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 726396186 QBHOUHJQMLDQRA-NRFANRHFSA-N 499.589 5.065 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1F 726409465 AXNXKSKKRXFLTP-IVZQSRNASA-N 496.539 5.090 30 20 JKED CN(CCC#N)c1ccc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 726626441 CHLDCUQUHXLNLJ-UYRXBGFRSA-N 461.534 5.457 30 20 JKED O=C(/C=C\c1cnc(N2CCOCC2)s1)c1ccc(-c2ccc(Br)cc2)s1 727974039 GCSYNYQUFRMDLT-WAYWQWQTSA-N 461.406 5.367 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)cc2)c1 728032749 MZTBKFFMOULZIO-UHFFFAOYSA-N 455.445 5.374 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)c1=S 728048887 ABHSJKMVQUGWBY-OAQYLSRUSA-N 479.616 5.442 30 20 JKED C#Cc1cccc(N(C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)c1 728247740 OPYQBKNDWPXNJK-UHFFFAOYSA-N 454.614 5.556 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 728511753 CVBIPPVHELFHMX-UHFFFAOYSA-N 491.516 5.109 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)C[C@@H](c2ccccc2)C(F)(F)F)n(C2CCCC2)c1C 728654272 VKLRFHHNGXRCFK-FQEVSTJZSA-N 461.484 5.310 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 729634437 MGWKRECDHBGMMW-SANMLTNESA-N 494.620 5.381 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 729889787 UNPXZMCBAQIAHZ-QFIPXVFZSA-N 484.943 5.091 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1c(C(C)C)cccc1C(C)C 730444425 XWVUTQJCDBGRFX-QHCPKHFHSA-N 496.677 5.381 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 730993559 BAPSLLASNXSVFO-SJORKVTESA-N 492.066 5.265 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 731115023 YYMCNCTVGUCMFQ-RXVVDRJESA-N 472.655 5.582 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccsc1 731309465 UBDPXCOLZOZBQC-NRFANRHFSA-N 465.600 5.177 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 731352404 WUEBNQQEHPBDEO-JTQLQIEISA-N 463.217 6.745 30 20 JKED COc1cc(C(=O)/C=C\c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)ccc1S(C)(=O)=O 747061801 ONYHYNMXNFQMRA-HJWRWDBZSA-N 498.910 5.161 30 20 JKED C=CCc1cc([C@@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2C)cc(OC)c1O 747141212 WDUKNOLZRGVSOP-SANMLTNESA-N 499.636 5.786 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747600981 SCNPLSDOIJSLFM-GOSISDBHSA-N 474.970 5.096 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Br)C3)cn2)c1 750688937 SCSAKIPGXLVZFQ-OAQYLSRUSA-N 479.334 5.113 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2ccc(N3CCCC3)cc2)C1=O 750909821 IRTGEKVOZKACSB-SANMLTNESA-N 498.652 5.222 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 837302030 PLZUVHSAVBWIGZ-CJAUYULYSA-N 498.583 6.095 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 837422750 AIEOVJILQBXUFX-JPYJTQIMSA-N 476.577 5.559 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1ccc2ncccc2c1 840071078 AVUZPIAKWFPABW-AREMUKBSSA-N 495.510 5.339 30 20 JKED CC(C)Cn1cc([C@H]2N(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC23CCOCC3)cn1 849534716 OHESWSYLOGDBOG-AREMUKBSSA-N 469.589 5.148 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 863967108 BUALSJJUBFOJFP-UHFFFAOYSA-N 486.018 5.229 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cs2)cc1 900271698 YTMXOAJVQCLOSH-CQSZACIVSA-N 465.600 5.539 30 20 JKED Cc1cccc(OCc2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)c1 914526238 MWJJPCJOAFHBFI-SFHVURJKSA-N 462.556 5.049 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1csc(Nc2ccccc2)n1 915467510 UUSHAHBLGOMANF-UHFFFAOYSA-N 488.363 5.042 30 20 JKED COC(=O)c1sc2[nH]c(/C(Cl)=C\c3cccc(OCc4cccc(C#N)c4)c3)nc(=O)c2c1C 915984194 BUJJUGVEQZWKLJ-YBFXNURJSA-N 491.956 5.267 30 20 JKED COc1cccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)c1 916137217 MRWDZCYQFMPPQS-BENRWUELSA-N 485.458 5.636 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 916206192 XWQWDWGGQOMLCE-HSZRJFAPSA-N 461.587 5.227 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(OCC)cc1 916213827 GDWRENHLBJYWLW-QFIPXVFZSA-N 467.591 5.048 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccco2)C1=O 916215720 JHRITOCMIVQSHW-QHCPKHFHSA-N 477.586 5.537 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1F 916217506 OLMBGPXMCCVHBK-IFXJQAMLSA-N 496.391 5.272 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916845644 ACFABVGYSBLKMW-QGZVFWFLSA-N 474.611 5.435 30 20 JKED N#C[C@@H](C(=O)CCSc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916906293 SAXGSXGHJKOCPS-FQEVSTJZSA-N 450.947 5.962 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 916934886 JICSXEXHJRLQPL-NRFANRHFSA-N 480.973 5.611 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(Cl)c1 916939566 PMKGVUWYWOIAJZ-YZUOEBHYSA-N 478.751 5.877 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976043 IHGRXEZQDAPQQF-ORAYPTAESA-N 455.992 5.779 30 20 JKED CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc1OC 917645211 VALZTKJQMDHXIB-LICLKQGHSA-N 475.389 5.134 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)cc1 917677359 CNBZAVXYTKZYPL-QFIPXVFZSA-N 486.037 5.067 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 917682487 JFWQZSRAKVKCIQ-YADARESESA-N 487.629 5.178 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ccc(C#N)cc1 917694403 HJBLVPSLSIEKDU-RUZDIDTESA-N 498.608 5.344 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c12 919195568 HFGLXCYLEAWYSH-QGZVFWFLSA-N 491.567 5.003 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)o1 919515603 YVWFPVHLCGULLW-UHFFFAOYSA-N 479.703 5.486 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 920103966 KCIOCKGJZYJNDW-KXBFYZLASA-N 467.485 5.158 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2[N+](=O)[O-])n1 920105815 FOPZOYYFNZZFAF-MRXNPFEDSA-N 476.539 5.506 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)SC2=Nc2ccccc2)no1 920354668 GGFBLSHMMBNDBX-LJQANCHMSA-N 489.384 5.450 30 20 JKED N#CCCN(C(=O)COC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 921224227 MNMCSZWVEMIODX-UHFFFAOYSA-N 460.342 5.221 30 20 JKED CCc1cc(O)nc(-c2cccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)c2)n1 1354533560 NTOHCSRLYHKLNK-UHFFFAOYSA-N 450.498 5.115 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4)cc3)CCC2)c1 1785760094 GCSMEKWZLBJODN-QGZVFWFLSA-N 458.949 5.424 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ncc(C(F)(F)F)cc4Cl)CCC3)cc2)C1 1785808611 SXFBRQGNOWIHQI-UHFFFAOYSA-N 463.887 5.468 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C[C@@H](C)CC)cc2)CCC1)NC(=O)OC(C)(C)C 1786259358 NCZGSFBMUDNDAI-UGKGYDQZSA-N 471.642 5.416 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccc(Cl)c(F)c4)cc3)CCC2)c1 1786327547 QCUOMMXPDBPHNG-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788735078 LTDHLFFXSRLRJX-FQEVSTJZSA-N 455.558 5.087 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789074328 VUQHLOULDHZUSP-STBIYBPSSA-N 477.996 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C(F)(F)F)cn3)CCC2)cc1 1789451323 HPNGWCFZNISOJF-SFHVURJKSA-N 458.484 5.012 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)(F)F)ccn3)cc2)CCC1 1789827712 IBBZHEMRKRLYRB-UHFFFAOYSA-N 453.411 5.060 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)cc1 1790255793 OGSVVFMIBYEPFG-IZZNHLLZSA-N 465.553 5.118 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3)CCC2)c1 1790352929 DXEOLSSGQZPMTH-LJQANCHMSA-N 498.558 5.229 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Br)cc3)cc2)CCC1 1790471747 NDVDNNVZQNDNPB-MRXNPFEDSA-N 491.451 5.061 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CCC1 1791010913 JAOWMOUKAMXHSW-UHFFFAOYSA-N 493.585 5.540 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C)CN3C(=O)OCc3ccccc3)CCC2)cc1 1791587659 BTXXWLNLQZKUDH-SQJMNOBHSA-N 489.616 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C=O)s4)CCC3)cc2)c1 1792122230 HDBMSEBHEMMPSV-QGZVFWFLSA-N 457.555 5.249 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5n4)CCC3)cc2)c1 1792123457 CHGHHEQEBMYDOE-LJQANCHMSA-N 475.552 5.318 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cccnc5n4)CCC3)cc2)c1 1792123882 SQNAPYIPRQTBBI-IBGZPJMESA-N 475.552 5.318 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)nc1C 1792168254 FGZBJDNHLXCPBM-UHFFFAOYSA-N 482.584 5.419 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)CC1 1792387559 GEDWJILXYOMADO-MHZLTWQESA-N 496.652 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Br)cccc3n1)C2 1792573672 PCQUIKXFSQJZQY-BCDXTJNWSA-N 484.438 5.242 30 20 JKED CC[C@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C#N)c1Cl)C2)c1ccccc1 1795575533 OBGJHMAYTAUEQS-JHXDLCHDSA-N 464.009 5.293 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cccc(F)c3s2)c1Cl 1797447259 HPHNDZYHHRUAFR-BJWYYQGGSA-N 467.953 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C2 1798339420 ULANXOMKEYYYFQ-XMTFNYHQSA-N 454.920 5.379 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Br)cccc3n1)C2 1798592283 DQLQOTWRLRSELN-BCDXTJNWSA-N 484.438 5.242 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3occ(-c4cccnc4)c3[nH]1)C2 1798592588 OXKLZMJVSNEXLQ-ACDBMABISA-N 460.578 5.067 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Br)c2)CCCC1)C(F)(F)F 1801594045 GBUFYHXEVWDUPN-REPLKXPHSA-N 499.371 5.018 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1801637515 HYKIDQDNGXXWMP-UVPIGPOJSA-N 454.014 5.092 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cncc2Cl)[C@H]1c1cccnc1 1802491514 GNPSOYLGENZXFW-UTKZUKDTSA-N 475.420 5.095 30 20 JKED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1802685623 ILORYWGIDKLDTI-PYMKTYCGSA-N 493.051 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2F)[C@@H]1c1cccnc1 1802777229 BSUOYTKUVXQFAP-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2cccs2)[C@H]1c1cccnc1 1803088213 INRGGOFRVQNOHV-HARLFGEKSA-N 469.676 5.098 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1803559685 CMJIWVWXODWQPB-OFSOJUDTSA-N 491.676 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4occc4n2-c2ccccc2)C3)c1 1803681243 MRRLDYNXIJZTGJ-UGZNWAIPSA-N 492.579 5.416 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCNc3ccc(C)cc3C)CC2)C1 1805456828 JAOGLTJDGDQMOK-UHFFFAOYSA-N 451.655 5.105 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)C1 1806016025 DMXYGXLQBMXEKM-UHFFFAOYSA-N 454.636 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C(F)(F)F)cn3)C2)CC1 1807067751 DUCLDZLNZDBCHS-UHFFFAOYSA-N 477.571 5.033 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CCC3CCCC3)C2)CC1 1808951318 CVSXDZPXBYWGES-HSZRJFAPSA-N 489.701 5.048 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)cc1 1809625363 WTXYVPKOZDVOOG-KMXKJOOPSA-N 484.644 5.074 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)CCc4c[nH]c5ccccc45)C3)CC2)c(Cl)c1 1810122095 PUBUGYVKDYBMKJ-UHFFFAOYSA-N 489.019 5.171 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)oc3cc(O)ccc23)[C@H]1c1cccnc1 1810500204 MNSRNJJOKVAINF-NLFFAJNJSA-N 475.589 5.154 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)oc2ccccc12 1811418999 DPVHPNYJBLOTIJ-NLFFAJNJSA-N 498.970 5.295 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCSCc2ccc(C)cc2)[C@@H]1c1cccnc1 1812953601 LJMCJGSUZGKUEC-BDYUSTAISA-N 493.717 5.712 30 20 JKED Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c1Cl 1813828020 YGLGJBNZJLXPRS-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)[nH]n1 1814439877 BYPAUXSOGNNVAH-XMMPIXPASA-N 494.636 5.456 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCCCc2ccccc2)[nH]n1 1817124981 XNUUDKHQHLSOGT-DEOSSOPVSA-N 463.626 5.679 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)C(C)(C)C#N)[nH]n3)c2c1 1817711667 ZCQZVKALWZXYQV-FQEVSTJZSA-N 491.592 5.219 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818745333 OHPHHOOKJKBDLT-OAQYLSRUSA-N 451.958 5.044 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3Cl)n[nH]2)c1 1818745414 SJQCYNUGEBDQPV-JOCHJYFZSA-N 490.926 5.175 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2OC(F)F)[nH]n1 1819311452 ZUZBKTOGZLPKST-QFBILLFUSA-N 458.509 5.085 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccncc1-c1ccccc1)CC2 1819601289 FSXVPYMDGQGORK-UXHICEINSA-N 472.614 5.199 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CC1 1821242990 SQAXMODMABTEQU-WHSLLNHNSA-N 498.425 5.176 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1)c1ccc(Cl)cc1 1821270966 MIFAEULBJAIWEP-NYHFZMIOSA-N 479.943 5.183 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1 1821274387 FMRHWERLSLFFDH-QMHKHESXSA-N 491.979 5.053 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cccs3)[nH]n2)cc(C(F)(F)F)c1 1821310119 KOMOTIRJXIYWOX-YJJPMGAVSA-N 499.518 5.381 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)c1 1821325442 HDKDIUGPDRQEBN-OAQYLSRUSA-N 483.906 5.141 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1)c1ccccc1 1822039432 VGISRSQDFCWWQG-NBGIEHNGSA-N 469.589 5.100 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@H](C)c3ccccc3)n[nH]2)cc1C#N 1822044516 LNWORERGQFBSRR-NBGIEHNGSA-N 499.615 5.568 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1)c1ccc(O)cc1 1822469483 WQRGODKOLAHLTH-RLWLMLJZSA-N 495.583 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(OC)c2)n[nH]1 1823258037 UQPNTHBKPBXXQL-NRFANRHFSA-N 456.974 5.146 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@]3(C)CC=CCC3)[nH]n2)cc1C#N 1823294365 MLWSZRYZLSYKTN-WXVAWEFUSA-N 475.593 5.121 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(-c5ccccc5)ccn4n3)CC2)C1 1823700068 JBXVHRJBIICMER-NDEPHWFRSA-N 482.628 5.201 30 20 JKED CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CCCC1 1823847875 NFCNESIMDALSDF-JOCHJYFZSA-N 486.454 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)c1 1823987892 ZYNPXURSLIAPJI-NIYFSFCBSA-N 496.026 5.582 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)c2c1 1824051539 PJJTUUHXMBSQCI-LJAQVGFWSA-N 496.655 5.143 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)[C@H](C2CCOCC2)CN3)CC1 1826777905 HGIUQLBYIZKLIL-PTJQVGQKSA-N 493.692 5.068 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1827356001 MLQPAKJDNXKIPZ-SANMLTNESA-N 493.598 5.454 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 1827681836 SNXLULWTJUCAML-CWLBHXMUSA-N 499.076 5.564 30 20 JKED Cc1ccc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)ccc2n1 1827696816 FTTMRNYPEQIBJK-ZHRRBRCNSA-N 495.608 5.166 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1827728849 WJURSAQTYLPWNA-RSXGOPAZSA-N 491.632 5.352 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N[C@H]3CCc4nc(NC(=O)C5(C#N)CCC5)sc4C3)ccc21 1828014715 QLFOOJNTOJPYGT-SFHVURJKSA-N 497.624 5.191 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2Br)CC1 1828828742 RQXRGJMQPMTMSM-UYAOXDASSA-N 463.416 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(OC)c2)CC1 1828829581 JNOCUHHUONZBAH-DNQXCXABSA-N 459.030 5.350 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1828888692 FUOSUDXQGNDRES-KAYWLYCHSA-N 474.645 5.160 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829582146 KOEWJBLRTSCPBM-HSZRJFAPSA-N 475.658 5.581 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(F)CCCC=C3F)CC2)c1Cl 1829690750 CVKLJLVRQCPWEM-CPJSRVTESA-N 475.967 5.191 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@@H](C)S)CC3)ccc21 1829695867 UAINCWQFGVAOTP-NTKDMRAZSA-N 477.674 5.366 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1830537678 OTXHNGIUHRRICI-QGZVFWFLSA-N 494.451 5.420 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC[C@@H]3CNc4ccccc4C3)CC2)cc1 1830628851 QGKHGILZTIBNSS-OUTSHDOLSA-N 498.671 5.051 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c(Cl)c1 1830722413 HYSPFCXTRFHBMA-QHCPKHFHSA-N 471.935 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830995225 JTKWNQVOGPUYIE-HYBUGGRVSA-N 468.041 5.823 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1831371744 KRPGDPLHOMOTBJ-KBMIEXCESA-N 451.586 5.266 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1831447693 OZSQTTSIIQSDEI-DRBUTMMVSA-N 469.576 5.321 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1831852439 KMBVQHCZYXUOHS-HHHXNRCGSA-N 459.634 5.131 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1832028413 NZNBOHQLJVXQEI-XMMPIXPASA-N 454.014 5.248 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC=CCC1 1832406044 FIFRMQNRVYXLNE-JYFHCDHNSA-N 454.014 5.191 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccco4)no3)CC2)c1 1832630431 HYHSEZVHAIEMQT-YADARESESA-N 486.572 5.109 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2c1 1832632225 MYCXEXXEYLTYHO-KMRXNPHXSA-N 482.628 5.651 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ncc[nH]4)cc3)CC2)c1 1832635808 SVUQYPGDLDEMFS-IDISGSTGSA-N 495.627 5.251 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1C#N 1832703769 SGTPOCJAIVINOA-RUZDIDTESA-N 495.570 5.171 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1837685555 RLMWKQXNTOTRLY-HYBUGGRVSA-N 476.608 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)CC1 1838250925 CXSKJQOPUANKCB-JOCHJYFZSA-N 484.040 5.202 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C)c3Cl)CC2)CC1 1838375418 GVNMJGNNIPWPES-QFIPXVFZSA-N 459.030 5.029 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1838390639 UDPQJWKLJOTVMM-QHCPKHFHSA-N 476.778 5.253 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)CC1 1838743296 QJJSRCBRUMZNJN-SFHVURJKSA-N 481.464 5.137 30 20 JKED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc4occ(Cl)c4c3)C2)cc(C(F)(F)F)c1 1844748571 HBSWLOQWAJKNFP-UHFFFAOYSA-N 487.865 5.107 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(N(C)C)cc2)cc1 11264638 HRXFCIVFAWBIIF-UHFFFAOYSA-O 458.651 5.703 30 20 JKED C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1-c1ccc(OC)cc1 14083243 YNKCNDBBTUCAJF-UHFFFAOYSA-N 464.572 5.284 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc2scc(-c3cccs3)c2c1=O 16986878 PTMGONFDQHJZBI-GFCCVEGCSA-N 489.594 5.770 30 20 JKED COc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2ccc(Cl)cc2)cc1 21608844 JXCQQIWCVUVLDB-UHFFFAOYSA-N 481.990 5.260 30 20 JKED C=CCn1c(SCC(=O)NC2CCC(C(F)(F)F)CC2)nnc1-c1ccc(Cl)cc1Cl 22183502 AHOSMLLOIQOBDW-UHFFFAOYSA-N 493.382 5.767 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccccc1 22244808 OCPBEZPZDVEAIA-HXUWFJFHSA-N 481.691 5.010 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)s1 22695264 ZOWQXEPNGIVUNF-UHFFFAOYSA-O 452.408 5.194 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)s1 22735299 YTURQPBRPDMVBF-UHFFFAOYSA-O 492.089 6.051 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nc2cc(-c3ccccc3)sc2c1=O 24268022 SCMHQKOETFPVKL-INIZCTEOSA-N 479.631 5.208 30 20 JKED COc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 26113711 FFRDDLIUHOGLSL-CQSZACIVSA-N 451.866 5.412 30 20 JKED CCn1c(SCC(=O)N[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 26115097 LLTHPUAUYDBFJE-CYBMUJFWSA-N 460.390 5.113 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)C(c1ccccc1)c1ccccc1 30969475 RDNNXMDAACGOEW-UHFFFAOYSA-N 468.626 5.395 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 195630571 UZEDJPXAANYGSR-RDNZODCXSA-N 457.412 5.173 30 20 JKED COc1ccc2c(C)cc3nnc(SCC(=O)Nc4sc5c(c4C#N)CCCCC5)n3c2c1 255927683 HWWQNENFUKKSRO-UHFFFAOYSA-N 477.615 5.132 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2-c2ccc(Cl)cc2)cc1 255935140 VPBNTOFSZKPPDH-MRXNPFEDSA-N 489.988 5.587 30 20 JKED C=C(Cl)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 301150730 YIPSDGGMCZUUTK-UHFFFAOYSA-N 472.401 5.230 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 302955759 CYCMADQSMHAHGE-UHFFFAOYSA-N 464.949 5.371 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303161529 HEUPVNDGOVVCQF-UHFFFAOYSA-N 472.932 5.705 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 303341098 LOHCFDNEMBQBER-MRXNPFEDSA-N 494.414 6.348 30 20 JKED Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 410425892 ZTQFMOZFQHSYJD-GOSISDBHSA-N 461.949 5.223 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2nc(O)c3c(-c4ccccc4Cl)csc3n2)n1 476621952 BYKWOACETHTYDH-UHFFFAOYSA-N 482.974 5.453 30 20 JKED Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 484338538 WGQRKZSMAXFSHK-UHFFFAOYSA-N 457.555 5.100 30 20 JKED O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 499331328 UVNSLKNQGGSFSD-UHFFFAOYSA-N 497.168 5.459 30 20 JKED COc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)n2)cc1 500744898 PLPHNMXYRGBMIX-UHFFFAOYSA-N 454.486 5.289 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 500750233 AZLUUEYNKIDHLO-LJQANCHMSA-N 459.571 5.666 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCO)Cc1cc(Br)ccc1F 502646024 DNNAIZKABIWLDC-UHFFFAOYSA-N 498.352 5.587 30 20 JKED Cn1c([C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc2)nc2ccccc21 508079331 JIZMYIUFQUOULG-GDLZYMKVSA-N 458.565 5.903 30 20 JKED C=CCn1c(SCC(=O)NCc2cnc3ccccc3c2)nnc1-c1ccc(Cl)cc1Cl 508950293 LUMAEHGQLDFIMW-UHFFFAOYSA-N 484.412 5.395 30 20 JKED CCN(C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)[C@@H](C)c1ccc(C#N)cc1 509577003 ZNZFWPIRGDMXNH-KRWDZBQOSA-N 476.374 5.796 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)Nc4cc(C#N)ccc4OC(C)C)c(=O)c23)cc1 509601642 HKFPMMAALDIQML-UHFFFAOYSA-N 472.570 5.121 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 510024399 SAFXIDOMNGLRLP-LADGPHEKSA-N 475.976 6.382 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 511413886 IVJHBUWHXFDJGU-UHFFFAOYSA-N 469.463 5.594 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513205419 CRBDABOIJWAPDT-INIZCTEOSA-N 463.257 5.156 30 20 JKED Cc1sc2nc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)n(C(C)C)c(=O)c2c1C 514955445 BAAVPOAIOHBWHJ-MRXNPFEDSA-N 472.611 5.222 30 20 JKED CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515723421 ZJZBHJSEQJZPJL-UHFFFAOYSA-N 454.935 5.440 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2OCC(F)(F)F)cc1 515796642 ZOTCGMKXRCFIPP-UHFFFAOYSA-N 469.463 5.594 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCc3ccccc32)cc1Cl 515881797 KZPOZJLTWANRKD-RDPSFJRHSA-N 457.961 5.170 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 517465041 SKOKWLBWXMWRND-UGKGYDQZSA-N 482.609 5.306 30 20 JKED C=CCN(C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 518231628 ATJZHRAPKQWQLL-SFHVURJKSA-N 498.616 5.106 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 519139261 BBLSCAYMDVDWPO-QGZVFWFLSA-N 482.005 5.558 30 20 JKED Cc1nc(-c2ccccc2)c(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 522194641 APYUAVIAJUIXNX-UHFFFAOYSA-N 459.531 5.093 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 576998332 GGJXPGYNMWWGGY-UHFFFAOYSA-N 469.328 5.760 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC(F)F 603691558 INITYFDQUQFITO-UHFFFAOYSA-N 454.433 5.019 30 20 JKED CC1=NN(c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc2)CC1 603897055 NVJGSDNBSPAFOU-UHFFFAOYSA-N 469.492 5.463 30 20 JKED Cc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)N2CCOCC2)o1 604088137 FATCEMUBTIQDKH-QFIPXVFZSA-N 480.952 5.100 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)n2)ccc1F 604113123 SKWNNAYGQWYLOR-OAQYLSRUSA-N 474.923 6.064 30 20 JKED CC(C)N(C)Cc1ccccc1CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604137177 OGJSWTCXKYKWCP-RUZDIDTESA-N 489.019 5.091 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)cc1 604254780 JAUKSRAUWJRXAT-UHFFFAOYSA-N 467.403 5.450 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604287372 JJGXWVNTTRYCHB-CALCHBBNSA-N 472.454 6.053 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CSCC(=O)c3ccccc3)s2)c(C(F)(F)F)c1 604527373 YLJYKMFKJLYCOQ-UHFFFAOYSA-N 475.517 5.179 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)C)cc2)o1 608929905 AZFXDXIWBHONDI-QGZVFWFLSA-N 450.564 5.296 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cn2)c1 608994724 RIIJPAIGTSSZIB-DEOSSOPVSA-N 487.947 5.379 30 20 JKED COc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1OCc1ccc2ccccc2n1 609080880 OQNWPNWGLAZTKX-UHFFFAOYSA-N 452.514 5.358 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc2ccccc2c1Br 609369938 TVMDIZPLOLFWCZ-HNNXBMFYSA-N 455.377 5.872 30 20 JKED COc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 609405494 PLMKXGSZEXJJAL-MHZLTWQESA-N 477.520 5.203 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 609430361 SAVCOLCCRXWTMG-QGZVFWFLSA-N 451.573 5.134 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OCc1ccncc1 609434438 JYDOBSLBWUSFHZ-FQEVSTJZSA-N 494.551 6.216 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)nnc1-c1ccc(Cl)cc1 611856251 OZMQLVUMHSQZDQ-AWEZNQCLSA-N 478.952 5.355 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SCc4csc(C)n4)cc3)n2)cc1 613318206 PGFAMPGWBPFCES-OAQYLSRUSA-N 461.637 6.666 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc2cc(Cl)ccc2s1 613407029 DJCITIJUBICDFI-AWEZNQCLSA-N 454.889 5.392 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@@H](C)OC)cc1 726395156 XZMBVERXXAJPQL-AUSIDOKSSA-N 483.634 5.087 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)c(F)c1 726411345 LGAOONBRAOIJPT-KRWDZBQOSA-N 482.364 5.287 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccs2)cc1F 726413263 WWFZVWCZTFIACN-QFIPXVFZSA-N 497.617 5.673 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC=C)c1 726413396 SVRABIMPMHNIHY-SFHVURJKSA-N 458.370 5.121 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CC(C)C)cc1F 726415881 LEKLMMXXKBATNC-HXUWFJFHSA-N 493.988 5.113 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N\[C@H](C)c2cccs2)c(C)s1 726416573 QOZLMSKCUHIVGM-WHTFKYIOSA-N 461.678 5.217 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 726435051 XLXFCKKYXGMHJD-UHFFFAOYSA-N 476.410 5.584 30 20 JKED CN(Cc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1)C(=O)OC(C)(C)C 726526187 NHEINXKTJQTTDG-UHFFFAOYSA-N 461.518 5.349 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SCC#N)sc1-c1cccc(Cl)c1 726654726 BKDUPXLFUAUKEH-UHFFFAOYSA-N 456.976 5.788 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)cc1 726940321 DLYIWETVWJHMGR-UHFFFAOYSA-N 457.603 6.226 30 20 JKED FC(F)(F)c1cc(C=Nn2c(S)nnc2-c2ccccc2Br)ccc1Cl 727256935 QQJZNNFZPZMAHZ-UHFFFAOYSA-N 461.694 5.551 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1Cl 729887894 FFMOLDFMTNUJBK-IBGZPJMESA-N 487.947 5.302 30 20 JKED Cc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c(C)n1-c1nccs1 730585190 RGDKYSDXWHEHMH-UHFFFAOYSA-N 479.418 5.199 30 20 JKED N#CCCN(C(=O)COC(=O)c1ccccc1OCc1cccs1)c1cccc(Cl)c1 730617164 DVBVURATAOMNTL-UHFFFAOYSA-N 454.935 5.084 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@H](C)C2 730685813 ITYXCMPNGPSRRA-ISHJAKKSSA-N 486.540 5.174 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1 730714733 GQIKASCOTFGVKZ-XMMPIXPASA-N 484.581 5.605 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2CC)N(Cc2cocn2)C1=O 730718341 ISQMHTUAFLXPJJ-HSZRJFAPSA-N 492.601 5.186 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 730953759 SCGTUYOPDHMIQD-INIZCTEOSA-N 490.576 6.237 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(F)cc1 731071851 WGFSFIJXWHSURV-KRWDZBQOSA-N 480.565 5.182 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc(F)ccc2F)cc1 731306155 SGCMWNZBUICUCF-JOCHJYFZSA-N 481.524 5.139 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1cc(C)ccc1F 743523736 CDIZJKGDMVGHRX-NRFANRHFSA-N 455.555 5.069 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccc(C)n2)c1 743525514 QSFDXMNEZXDQDD-JOCHJYFZSA-N 480.540 5.137 30 20 JKED O=C(/C=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 748584262 NMFJZVYGVHKXQS-WZUFQYTHSA-N 464.861 5.893 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 749360924 MCPICNXAGMRIGF-UHFFFAOYSA-N 467.916 5.535 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3c(C)cc(Cl)cc3C2=O)cs1 750907977 BWJFPRTUEMMSOT-ZSOIEALJSA-N 459.354 6.102 30 20 JKED Fc1cccc(COc2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)cc2)c1 767199665 UVIFUMQGLCTFNB-UHFFFAOYSA-N 452.942 5.824 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccs2)C1=O)Nc1ccccc1F 837786436 BQQCBBWWSDDVRQ-LJQANCHMSA-N 473.982 5.701 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@H](C)c1ccccn1 838226930 PPWBYEGECXCHQT-CJFMBICVSA-N 486.641 5.982 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 841323644 MRTKYSSOZUDRNN-UHFFFAOYSA-N 462.531 5.293 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@H]2C[C@H]3CC[C@H]2C3)[n+]2ccc(C(C)(C)C)cc2)C=C1 912842470 IWUBDHGVUWXVQE-PTLVVNQVSA-O 492.709 5.667 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C 914541551 WLEJFXJJUBKYRU-DEOSSOPVSA-N 473.598 5.302 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 915085951 DCZNWIGZKOYKOD-QHCPKHFHSA-N 464.491 5.611 30 20 JKED COc1ccc([C@@H](CC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)NC(C)=O)cc1 915102897 KIRLMGCPAPJVPQ-HFGKEZCYSA-N 477.630 5.063 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 915353758 QLCQTNCJUFWKPS-AOYPEHQESA-N 474.992 5.190 30 20 JKED COc1cc(/C=C/C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OCc1c(C)noc1C 916074656 USRCLTJLIIBJSV-KPKJPENVSA-N 496.523 5.590 30 20 JKED CCSc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnc3ccccc3c2=O)cc1 916369560 GQRZHDNOENOKSE-UHFFFAOYSA-N 451.555 5.243 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916845643 ACFABVGYSBLKMW-KRWDZBQOSA-N 474.611 5.435 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc(-c3ccccc3)nc21 916888662 ZAUGSCFRUVBUMD-IBGZPJMESA-N 491.523 5.394 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 916906321 HBYKRKVDMAWMGZ-HSZRJFAPSA-N 477.008 5.466 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccc(Br)c1 916913827 ZAGQJLMRCXZDEC-GOSISDBHSA-N 470.754 5.471 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 916915475 KAXIZLKDFPSWLD-QFIPXVFZSA-N 471.605 5.676 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1Cl 916939401 GRKMXDCJKIYMTI-GOSISDBHSA-N 471.991 5.367 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 916954502 IMYRCMMEIIKUNK-AOMKIAJQSA-N 481.474 6.367 30 20 JKED Cc1cc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)on1 916975169 ALIQXAXHLXDZOF-LJQANCHMSA-N 465.987 6.542 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995036 ARAXCJZBFXLFHJ-SWLSCSKDSA-N 474.344 5.485 30 20 JKED N#C[C@@H](C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997523 VMKQKRWNGAWSQK-KRWDZBQOSA-N 475.357 6.094 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnc1-c1ccco1 917043891 QCIOBEULLJCDNN-LBPRGKRZSA-N 477.493 5.155 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccc(Cl)s1 917699578 KTAVTZNEOIMICH-FQEVSTJZSA-N 495.029 5.111 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccccc2COC(C)C)C1=O 917709482 OBWHRWXEVAJJAI-QHCPKHFHSA-N 467.635 5.003 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 917711544 AXUVPEMFIIWSFK-NTKDMRAZSA-N 472.614 5.927 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)CC1=O 920141885 NBIWTPHTKZLPEF-UCNVEGJOSA-N 468.582 5.425 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1 920806299 JSIHGXYEMKIVDJ-QGZVFWFLSA-N 481.549 5.851 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 920869077 MYYMUQBWJJOJRD-AUUYWEPGSA-N 480.417 5.236 30 20 JKED Cc1ccc(N=Cc2cccc(O)c2O)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 920943687 CWBLFXWDOJTWMW-UHFFFAOYSA-N 464.515 5.272 30 20 JKED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C5CCCCC5)c(C(F)(F)F)c4)C3)C2)C1 1780171118 QVVGFVFMCOFTIS-SANMLTNESA-N 490.566 5.163 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1781740885 JOPYJGNRZVAROF-VFTYGKKMSA-N 496.598 5.224 30 20 JKED COc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1785978315 UDCWNKHDFXGTNZ-FQEVSTJZSA-N 483.568 5.149 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCOc4ccc(F)cc4)cc3)CCC2)c1 1785988148 RZGKXNBGGOQOKD-FQEVSTJZSA-N 485.559 5.670 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787949862 OKDAIZJPNVGFHL-QTYVQNMISA-N 488.632 5.299 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1789449063 KQXGOHIZNBGASG-TUACAJSNSA-N 495.664 5.582 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CCCCn4cccc4)cc3)CCC2)c1 1789603796 GYAKXMSDKQLBFU-UHFFFAOYSA-N 458.537 5.117 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CCC1 1789740488 AEWWECUNFGUDPK-UHFFFAOYSA-N 495.366 5.087 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789880935 RQKIPVHIPLIYJS-UHFFFAOYSA-N 475.614 5.541 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C5CC5)on4)CCC3)cc2)c1Cl 1790082608 AQCMRGLUYKLICY-UHFFFAOYSA-N 460.921 5.139 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3sc(Br)nc3C)CCC2)cc1 1791248357 ZRYBVFQFZOIFQN-CYBMUJFWSA-N 462.413 5.174 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)c1 1792124216 PLOMFSNLULUNPY-HXUWFJFHSA-N 478.552 5.012 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)ccnc3c1)C2)c1ccccc1 1798556886 NRGJIESNBBZSFV-KIHHCIJBSA-N 486.015 5.337 30 20 JKED Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(CC#N)cc2)c2ccccc12 1800546596 WWKAGTMJGMIILV-OOSCYNTBSA-N 465.597 5.099 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1802995717 UPWCRDKETLYARO-GJKKTMQMSA-N 491.701 5.453 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ncc(C(F)(F)F)cc3Cl)CC2)C1 1805456437 YNABZOHWSIDDOK-UHFFFAOYSA-N 483.962 5.367 30 20 JKED Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)C2)cc1F 1805953804 BRNXTZKRRZZIKZ-QFIPXVFZSA-N 475.608 5.239 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1806449129 CKHZUPJNDSTPOQ-MONFHXSQSA-N 494.639 5.411 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1807732386 HGPDGOKZTZYICF-XLNZFTOWSA-N 495.048 5.433 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1808852763 OMEKEGYSOIHCDH-UQNRQAKVSA-N 499.036 5.070 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)C2)CC1)C(F)(F)F 1810246673 YDJFXSISGOCKOZ-UHFFFAOYSA-N 494.945 5.002 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(ccc4ncccc43)s2)[C@H]1c1cccnc1 1811288083 XXLPODIBSQNOMY-STTRJGPESA-N 484.625 5.376 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811417910 KQIHDNLCCBFPHE-NTKDMRAZSA-N 493.394 5.202 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1)c1ccccc1 1811673606 BBLXUFXAFAZVLZ-IHLOFXLRSA-N 485.587 5.115 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2CCCC3)[C@H]1c1cccnc1 1813879813 YMBHAVWFLLDRKI-FKCDAAJZSA-N 457.618 5.048 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813975900 HKVSBUFCMZYYRL-WJPUGNRLSA-N 479.930 5.286 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(Cl)cc2Cl)n[nH]1 1814366310 XUXZMUGISJAXRE-GOSISDBHSA-N 462.381 5.186 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(F)c(F)c3)n[nH]2)c1Cl 1814663871 XBOPQZSGGQWEPP-NRFANRHFSA-N 497.933 5.152 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[nH]n1 1815204817 JJDUXQDEFDWSCS-CHZKFRDHSA-N 466.626 5.215 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)[nH]n1 1815571965 CCAFGFJXBFTCKR-INIZCTEOSA-N 494.411 5.606 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[nH]n1 1817123634 MMTVHTYAUHZJSL-WIOPSUGQSA-N 477.515 5.217 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817764590 AKHNFYHJEPWORN-QPPBQGQZSA-N 487.579 5.685 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)[nH]n1 1819301613 MKOCCQSYTVMIKE-LPHOPBHVSA-N 487.000 5.155 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)[nH]n1 1819302939 OWTFJRQIBOOZGO-ZZVGESKWSA-N 466.548 5.539 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)[nH]n1 1819305455 JQYUSLBGFUBJNE-OPAMFIHVSA-N 467.520 5.244 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)[nH]n1 1819306103 WXEQMCHZXUMDBN-XUZZJYLKSA-N 457.578 5.341 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCCC)cc2)[nH]n1 1819307209 CMMPLNIPADBFIG-JTHBVZDNSA-N 450.583 5.273 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)[nH]n1 1819552616 RURVWZOFZMWEPY-GOSISDBHSA-N 489.016 5.379 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)[nH]n1 1819554751 NIOZYOFYWIGZTA-VGOFRKELSA-N 454.537 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2O)[nH]n1 1819555917 JQQFZFGGKANPMW-IBGZPJMESA-N 450.539 5.160 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)nc2)n[nH]1 1820036392 WWDSTPBPSKMCPO-DHLKQENFSA-N 469.589 5.546 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(OC)c3)n[nH]2)CC1 1820208965 NPYQOVLCURYJDY-DRMXPCRNSA-N 477.609 5.202 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3Cl)[nH]n2)c1Cl 1820220286 RQWWIDWPJDKSDJ-LJQANCHMSA-N 468.344 5.208 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)ccc2OC)n[nH]1 1820654363 IYGQGADEKDMDMP-PXNSSMCTSA-N 456.974 5.146 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(C)cc2Br)[nH]n1 1821987718 PGHZBKLNDSVMPR-QGZVFWFLSA-N 499.331 5.137 30 20 JKED CSc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1822596067 LUKHAPSCIMUAHU-UUOWRZLLSA-N 487.629 5.307 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3c1oc1ccccc13)CC2 1823089070 IZCDBQLXGWMTDU-HZPDHXFCSA-N 490.585 5.069 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)[nH]n2)c1 1823216767 BARYVPPXAKBKDT-UPCLLVRISA-N 484.535 5.277 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)cc(Br)c3)n[nH]2)C1 1823312567 PTRCVUWYZWRDFS-SFHVURJKSA-N 477.790 5.098 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)C1 1823702814 XROHDAKMJMYQTJ-MHZLTWQESA-N 481.640 5.806 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 1823750398 ISKQOBXHLVGQPM-HXUWFJFHSA-N 465.560 5.326 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1823927883 DDLLYDNTEOYPFR-OAQYLSRUSA-N 491.072 5.583 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823971813 JWYBHKHTRLTIHM-BULFRSBZSA-N 451.076 5.018 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1 1824760117 CGEDZAHGNOVFHN-JWQCQUIFSA-N 497.680 5.006 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2F)CC1 1824842638 QMFLLOQRRSYUTG-XDQZKXAQSA-N 489.429 5.025 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1824861974 PYJVGXSMYVUBPC-NLFWHDTNSA-N 490.619 5.220 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)CC2)c1 1824922422 IHUMMUNZZCOTSZ-KDYSTLNUSA-N 487.619 5.418 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)CC2 1825253032 CPAGHVCBGKLFKT-OAHLLOKOSA-N 496.539 5.322 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1)c1cccs1 1827683520 ANELATJOSNYUGJ-CZQLGGELSA-N 476.598 5.167 30 20 JKED C=CCCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c(O)n1 1828186851 RTRKLXBAELUVBB-DEOSSOPVSA-N 487.600 5.199 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCCO4)CC2)c1 1828448238 QAKOFLFTIBXBJL-RBISFHTESA-N 499.655 5.115 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)ccc1F 1828460236 RDZWFHOXTGQLTQ-HSWHJCFASA-N 493.667 5.466 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828526898 RDABEJVIUFNUBD-KCWPFWIISA-N 475.633 5.251 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828675574 KBPMWHOXODCBOH-XMMPIXPASA-N 495.765 5.581 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1828885726 PUEHDYSVMVOXCL-AHKZPQOWSA-N 490.644 5.285 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc3cnccc23)CC1)c1ccccc1 1829032686 QSXPQNIVDUYDRC-LMSSTIIKSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(O)ccc3n2)CC1 1829066873 YNOTVYGJYHBBPN-VWLOTQADSA-N 463.622 5.166 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)cc1 1830014818 IUWAPARAYKWSFL-VWLOTQADSA-N 474.992 5.240 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(OC)cc3C#N)CC2)CC1 1830288247 DBBRKIONTFSEIY-MBEZDYHHSA-N 493.692 5.336 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1830421902 PHSRIAAJYPJSNB-YCRPNKLZSA-N 486.415 5.167 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1830446809 ZPCVJRWCCUAPMF-LJAQVGFWSA-N 492.623 5.096 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1 1830606549 PFNUOCPKRUZKGY-UIOOFZCWSA-N 481.706 5.282 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC(F)(F)F)CC2)c(Cl)c1 1830720733 GIVAAVCSZFDOSJ-HXUWFJFHSA-N 469.935 5.178 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cn1 1830721104 XOMPMVHCWKXCCT-DEOSSOPVSA-N 493.051 5.451 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830723089 DMHRKWAOQCJQDM-RUZDIDTESA-N 481.999 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c(C)cc2OC)CC1 1830784838 CNSNSAKNYYQPQY-NOZRDPDXSA-N 452.639 5.314 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)c1 1831221726 ALXOQEUWSIPSAR-NOZRDPDXSA-N 476.020 5.175 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831748670 CYTOQGITWNHDCF-FDDCHVKYSA-N 493.475 5.236 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831751678 NLQILQCRPORQFX-NOZRDPDXSA-N 460.659 5.104 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1832028696 WHWYEVDBUMXCPO-DEOSSOPVSA-N 466.025 5.315 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832635489 HSWWRRFXUHROJN-BVZFJXPGSA-N 481.999 5.653 30 20 JKED COc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1832635790 SEJSHNCJTZYLKZ-FNZWTVRRSA-N 473.617 5.178 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3Br)CC2)CCC1 1832721061 JTKPULUKPDECLN-LJQANCHMSA-N 492.845 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)CC1 1838424371 BLEDPXDPOKGYOG-JOCHJYFZSA-N 454.655 5.171 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CC4(CCCN4C(=O)CCCC#C[Si](C)(C)C)C3)cc2n1 1844252890 VNSZWVNYLSDJCN-UHFFFAOYSA-N 482.100 5.065 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1cccc(Cl)c1 10170982 DFGHSWUUHKTWHP-UHFFFAOYSA-O 475.977 6.176 30 20 JKED COc1ccc(/C=C2\N=C(SCc3cc(C#N)ccc3F)N(c3cccc(OC)c3)C2=O)cc1 10621914 VOXXDIXAEZLRFB-CFRMEGHHSA-N 473.529 5.392 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 10763677 CWNUZNDDDHAURE-UHFFFAOYSA-O 472.005 6.124 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2cccc(OC)c2)cc1 11259351 WKRXQQMQHJYXBM-UHFFFAOYSA-O 467.614 6.263 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1 14872147 JXEVTCJOTAWKSO-UHFFFAOYSA-O 450.027 6.120 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nc2ccccc2c1=O 15231021 LERPNMFFNSEJDF-UHFFFAOYSA-N 476.627 5.578 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nc2sc(-c3ccccc3)cc2c1=O 16715729 CJIIKIFATQKYPB-AWEZNQCLSA-N 483.565 5.709 30 20 JKED C=CCN(C(=O)CSc1cccc[n+]1[O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18223737 FECFRPJKGBDZHN-UHFFFAOYSA-N 452.388 5.062 30 20 JKED Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)c(Br)c1 18535861 TXCRBCVWJXNLNE-LLVKDONJSA-N 458.303 5.471 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)NCCc1ccccc1 22735530 WFZYZCPAHCBICW-UHFFFAOYSA-O 468.440 5.070 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22799746 BPBWMVCSSSZZII-UHFFFAOYSA-O 456.006 6.423 30 20 JKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22938945 BSHNSQFEYLUZDL-LLVKDONJSA-N 492.425 5.589 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(OC)cc1 23998121 RMEBFJZZLLAYLQ-QGZVFWFLSA-N 450.608 5.384 30 20 JKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 24368087 JYSUKLUJKGIASS-OAQYLSRUSA-N 486.641 5.719 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)CCCOc2ccccc2)c1 31365452 FKVGPFQBAKUUOW-UHFFFAOYSA-N 499.032 5.262 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3NC(=O)c3ccsc3)c2)c1 106302295 VVLOLPGCCSWMOD-UHFFFAOYSA-N 453.523 5.703 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2ccc(Br)o2)c1=S 109215528 LZGOBBITXXEBGJ-UHFFFAOYSA-N 453.793 5.365 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1C 255830593 FUTPYBBOGPKIGP-OAQYLSRUSA-N 469.513 5.335 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)nnc1-c1ccncc1 255930197 ZUJKIVZDHYLHPP-UHFFFAOYSA-N 457.603 5.162 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 255930447 ITVBNEVDYSCXLT-SJORKVTESA-N 469.010 5.155 30 20 JKED CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1Cl 302539631 QNTUPJRSDODDNI-UHFFFAOYSA-N 467.978 5.161 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1ccc(C(F)(F)F)cn1 303178566 KKXZGZOVXLKCJO-UHFFFAOYSA-N 457.477 5.590 30 20 JKED C=CCOc1ccccc1CN(C(=O)Cc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCCO2 500515674 GOZICBWEGTVCBG-UHFFFAOYSA-N 499.592 5.317 30 20 JKED N#C[C@@H](NC(=O)CCc1cc(Br)cs1)c1ccc(OCc2ccccc2)cc1 500647712 IDWZODNRGLHKFV-OAQYLSRUSA-N 455.377 5.403 30 20 JKED Cc1ccc(OCc2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)cc1 504210693 LOZDTKUNJXLQNI-LJQANCHMSA-N 450.564 5.001 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cs2)cc1 507940058 SCTORAYEXOGQHR-UHFFFAOYSA-N 455.539 5.876 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1 511420072 BVGLMNIUZZIWLF-UHFFFAOYSA-N 468.557 5.392 30 20 JKED CCn1c(SCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)nnc1-c1ccccc1C 518207586 NFSSMIJOZDSPCR-QGZVFWFLSA-N 460.390 5.053 30 20 JKED Cc1ccc(CN2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)cc1 518668850 PUSUFGKOYWXSFV-KRWDZBQOSA-N 461.509 5.007 30 20 JKED C=CCN(C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518753687 YEWMWKNIGTUTHX-CYBMUJFWSA-N 495.303 5.225 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 519440600 NJYXUQDFUKPEAW-UHFFFAOYSA-N 481.927 5.494 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 519500243 WVILIBIBQKYXJX-UHFFFAOYSA-N 469.372 5.519 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520194401 SDSCRKPASDMNBL-VWLOTQADSA-N 457.530 5.572 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1C 520457092 UBXDXAZOHKDDFU-UHFFFAOYSA-N 469.589 5.349 30 20 JKED N#Cc1c(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)sc2c1-c1ccccc1CC2 520488497 TUIJZQDXYGALIF-UHFFFAOYSA-N 459.571 5.753 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1 521283064 AFKQWHRPVRFIIV-UHFFFAOYSA-N 498.560 5.585 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 521811729 RZMSHUADROZVDW-FOIQADDNSA-N 463.525 5.552 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)cc2Cl)cc1 523961713 ZGYDRMGYJFEFKM-GHTZIAJQSA-N 499.876 5.634 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 524427435 SKHVIJGITLWRED-XMMPIXPASA-N 496.592 5.358 30 20 JKED CC(=O)N1CCc2c(sc3nc(-c4ccc(OC(F)F)cc4)c(C#N)c(-c4ccc(C)cc4)c23)C1 544403467 VWDKQBSYTHVYAY-UHFFFAOYSA-N 489.547 6.316 30 20 JKED CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1C(F)(F)F 590336565 GELGPUCOMDNGHZ-UHFFFAOYSA-N 451.386 5.459 30 20 JKED Cc1ccc(-c2cc(-c3nnc(S[C@@H](C)C(=O)Nc4ccccc4C#N)o3)c3ccccc3n2)cc1 603597739 VBJCQCATXDUABT-SFHVURJKSA-N 491.576 6.251 30 20 JKED COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cn(CCC#N)nc2-c2ccccc2)c(OC)c1 603804070 FORLQJMMOCNQHI-MHZLTWQESA-N 479.540 5.252 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3sc(-c4ccccc4)cc3C#N)nc(O)c2c1C 603969166 JHJRKISGLWWFJO-AWEZNQCLSA-N 480.640 5.874 30 20 JKED N#CCCCOc1cccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 603972379 YNDWONXXSCZQGL-UHFFFAOYSA-N 492.373 5.565 30 20 JKED CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl)C1CCCCC1 603982133 BUDUIANDLLMSDC-UHFFFAOYSA-N 466.390 5.071 30 20 JKED N#Cc1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])sc2c1-c1ccccc1CC2 603992237 LIQGGRFLKRDJCC-UHFFFAOYSA-N 473.432 5.487 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(Oc5cccc(C#N)c5)nc4)CC3)c2c1 604362139 MEYHPCNPUWBFNA-UHFFFAOYSA-N 467.529 5.647 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nc2ccccc21 608784904 DKHSUOLBYGASIT-HSZRJFAPSA-N 452.518 5.484 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3c4c(nc5ccccc35)/C(=C\c3ccccc3)CC4)CC2)nc1 608951918 YLVJFJJYDWJDSG-NKFKGCMQSA-N 485.591 5.387 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)s2)cc1 608983635 LYAPGJNDZUNQKO-HXUWFJFHSA-N 456.930 5.003 30 20 JKED COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609061144 OIWKKBPMBGTAAX-OAQYLSRUSA-N 473.312 5.023 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 609062013 RDZKIVUIERKJSL-UHFFFAOYSA-N 473.985 6.404 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 609079056 HIVATDRBKUSCGD-HSZRJFAPSA-N 474.630 5.541 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(OCc4cscn4)c3)cc2F)c1 609103830 CVUUOYLINCZJBD-UHFFFAOYSA-N 459.502 5.564 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)CC2)c1 609212538 XFRUGECGWGKLSO-SANMLTNESA-N 483.547 5.041 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 609381711 NPBVDRVYTIJPLC-UHFFFAOYSA-N 495.324 5.912 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 612941736 RTFIMMZGEIEIHI-HSZRJFAPSA-N 477.545 5.405 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc(-c3ccccc3)nc21 613404449 NNPMTNARANAXIS-KRWDZBQOSA-N 491.498 6.237 30 20 JKED O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616159196 NTYDVEGLBTYJCJ-ZIAGYGMSSA-N 487.435 5.138 30 20 JKED O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540590 UYNYOVSSLRBZSL-RKDXNWHRSA-N 472.735 5.876 30 20 JKED O=C(CCc1cccc(F)c1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517851 PXUDXXBDHKBUII-QGZVFWFLSA-N 467.356 5.535 30 20 JKED COc1cc(OC)c(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1OC 642281468 JCXXOHFUHRAHOJ-GONJIIODSA-N 452.576 5.127 30 20 JKED C[C@H](OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 725995737 KKFWEDJYNPWROT-AWEZNQCLSA-N 491.466 5.460 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 726411171 LHQVILZGSSJLCH-WAIKUNEKSA-N 490.535 5.063 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726421356 MRJMDNMWDAHGFF-LAVORGIMSA-N 485.553 5.099 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccnc(C)n3)C2=O)c1 726422350 VMNUTAIYCVAUBV-ICAVPRFASA-N 493.658 5.053 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(C)n(C)c2C)cc1 726570217 YCQGGQNZAPLNLF-UHFFFAOYSA-O 477.654 5.340 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(CO)c2)cc1Cl 726572161 VIXNRYBOBGAWCA-UHFFFAOYSA-O 499.015 5.982 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Br)c2)[n+]2ccc(C(C)(C)C)cc2)c1 726573995 WQTMRZMCANRMIB-UHFFFAOYSA-O 492.462 6.339 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)n(Cc2ccco2)c1C 727927400 GTSAMJKJAQJRIP-MSOLQXFVSA-N 486.355 5.210 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 728423329 RGIRNBIHHQVNAE-ZHRRBRCNSA-N 489.988 5.328 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCCCC#N)cc1 728779816 LVUYKAPKUARVLN-QFIPXVFZSA-N 464.591 5.048 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 728974033 INYQNNKHBRSMHF-QFIPXVFZSA-N 478.392 5.424 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)cc1 729146720 WXPAQNTYYMKGJM-HXUWFJFHSA-N 498.605 5.150 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 729669226 RGRDBHDQQRVJTR-UHFFFAOYSA-O 492.404 5.664 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3ccc(C#N)cc3)cs1)O[C@@H](C)C2 730690648 BFNNDWKFZVXCMN-KXYFNNKZSA-N 469.566 5.384 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)n(Cc2ccco2)c1C 730878620 SJSMNSAEXNUFFQ-BJKOFHAPSA-N 467.525 5.057 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccc(Br)cc2)CCC1 731068935 BSJCVEBKBLSYTQ-INIZCTEOSA-N 487.419 5.447 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744935719 FWHOPZMXRZFUJV-CQSZACIVSA-N 454.338 6.112 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C)c1 746696027 KEGPWYJYUNJHBD-QFIPXVFZSA-N 453.608 5.080 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(CC(C)C)C1=O 746971525 CWOOLHGRCYYZAD-LJQANCHMSA-N 495.523 5.210 30 20 JKED CCOCCCn1c(NN=C2CCCc3nc(-c4ccccc4)sc32)nc2ccccc2c1=O 747040536 CQWFQOZVIYGQFJ-UHFFFAOYSA-N 473.602 5.099 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cscn3)C2=O)cc1 747598829 FGAPYRROQUPQCW-QFIPXVFZSA-N 492.626 5.123 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cccs2)cc1 748171244 CNUHJOGKXRMMEK-RUZDIDTESA-N 480.655 5.543 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)cc1 749339111 ZDKADTITYOTCMF-YWZLYKJASA-N 454.452 5.366 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 750690586 MYINNWLKYGUAAE-RXFWQSSRSA-N 467.573 5.091 30 20 JKED CC(C)COC[C@@H](c1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 750915305 DLLCGJCYLCLOON-UPVQGACJSA-N 491.613 5.654 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@@H](C)c2ccccn2)C1=O 837300275 BSVGHZSXVOZLQO-KSFYIVLOSA-N 496.995 5.904 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3cccnc3)C2=O)c1 838239409 WMJJQRGWKBOCSF-HXOBKFHXSA-N 492.576 5.259 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3OC)N(Cc3ccc(F)cc3)C2=O)c1 838493238 XEMASUHMGFZXCL-HSZRJFAPSA-N 493.560 5.003 30 20 JKED C[C@H](OC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)C(=O)Nc1ccccc1C#N 899912964 UZEJNFWDPVGFSF-INIZCTEOSA-N 478.533 5.567 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)c(C)c2c1 912584565 JOFNCMTXEQMSQD-OAQYLSRUSA-N 474.557 5.372 30 20 JKED N#CC(CCOC(=O)[C@@H](NC(=O)c1ccco1)c1ccccc1)(c1ccccc1)c1ccccc1 914890703 DIFTUUKTLMLPRT-SANMLTNESA-N 464.521 5.194 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccc(Cl)cc2)cs1 915101808 LIPFAHJGDIEOMY-QGZVFWFLSA-N 469.353 5.976 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccc(OCc2ccncc2)cc1 915958686 QSSUCBPOKYDPPI-UHFFFAOYSA-N 486.384 5.309 30 20 JKED COc1c(Br)cc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)cc1Br 915983559 MKCJKOJWBFVHKZ-DHDCSXOGSA-N 496.224 5.729 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)cc(Br)c1OC 916126900 PZNXIZSFEUUPDL-ALCCZGGFSA-N 457.267 5.363 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O)Nc1cccc2ccccc12 916206428 QRDMJVPXSCYRFC-XMMPIXPASA-N 484.556 5.534 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1 916210793 JFJIONZCQPDMHI-LJQANCHMSA-N 471.485 5.042 30 20 JKED COc1ccc(C(C)=NNc2ncnc3sc(C)c(C)c23)cc1CSc1ncccn1 916588465 NWMCHNBIGFLOOJ-UHFFFAOYSA-N 450.593 5.235 30 20 JKED CC(=NNc1ccc(Cl)c(C(=O)O)c1)c1ccc(OCC(=O)Nc2ccccc2C)cc1 916593900 AJWJYCZEHLHSLB-UHFFFAOYSA-N 451.910 5.200 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 916893799 HTKRPBSEOFSNBF-QFIPXVFZSA-N 450.947 5.602 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 916909298 SXSDWGHOYIIEMI-VWLOTQADSA-N 481.571 6.379 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 916939046 MWJBBEOYJGPTNH-MRXNPFEDSA-N 475.551 5.163 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)n2)cc1 916974616 NXDXJCOGRGYXRN-UYAOXDASSA-N 481.524 5.201 30 20 JKED N#C[C@@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 916976877 VRQIDSJRCHNCSJ-KRWDZBQOSA-N 469.950 6.128 30 20 JKED CSc1nc(C)c(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1 916995172 BQUBUKGTUBCRGM-INIZCTEOSA-N 477.442 6.055 30 20 JKED Cc1ccc(C(=O)N[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C(C)C)cc1 916995254 CWBMLFDWWOIYNB-WIYYLYMNSA-N 486.424 6.056 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)cc1 917043576 MGHWEJVIMPZSIB-KRWDZBQOSA-N 487.528 6.256 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1nc2cc(Cl)ccc2s1 917046097 FHRBIVOLCITRNC-CZUORRHYSA-N 489.931 5.280 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2Cl)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 917375070 NEPCPNUYFAJMMT-XMMPIXPASA-N 473.001 5.869 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)ccc1OC(F)F 917563304 OZBVSYSLNHLYQC-TWGQIWQCSA-N 478.904 5.987 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)NC1=O)Nc1ccc(Oc2ccccc2)cc1 917634886 FSEKFZSHGYWJOJ-QHCPKHFHSA-N 457.555 5.216 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cs1 917645173 SUTMHKHXJMOTDA-VXLYETTFSA-N 497.026 5.759 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)c(C)c1 917672371 MJZNOHQXFJKTGX-XMMPIXPASA-N 487.629 5.179 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C)s1 917694805 NESJPOHYAOESHL-NRFANRHFSA-N 465.600 5.226 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O)NCc1ccccc1 917701290 NSDGLWMFMPFUMH-RUZDIDTESA-N 480.593 5.073 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 917804265 OWXPEWAPFHRGJS-UHFFFAOYSA-N 486.549 5.151 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920109821 JMUXKBFOSCRITF-CYBMUJFWSA-N 468.127 5.447 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3c(C)noc3C)C2=O)cc1 920354636 FXEMSRWWYPSCQI-NRFANRHFSA-N 482.993 5.414 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920358028 XMQPRTUXQFWRCH-NRFANRHFSA-N 482.993 5.359 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 920912498 LPOIMQMVYRVYEY-UHFFFAOYSA-N 476.703 5.501 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(Cc2ccccc2COC(C)C)C1=O 920926944 AHKTZDDIQLDZKI-NRFANRHFSA-N 488.053 5.150 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)cc(C)c1 920983334 KJWDXDCDZHFGCG-QHCPKHFHSA-N 495.645 5.224 30 20 JKED COc1ccc(-c2nc(SCc3cc(-c4ccc(Cl)cc4)no3)nc(O)c2C#N)cc1 1317748223 ZAGYNAYAVMMPIK-UHFFFAOYSA-N 450.907 5.330 30 20 JKED COc1cc(Cl)cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)c1 1785885537 ZCNLCUIMTOKDJS-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)/C=N/N3CCCCC3)CCC2)cc1)c1ccc(Cl)cc1 1785987657 DVWYDLWIEFOMDB-AZFHEMCLSA-N 467.013 5.049 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CCC2)cc1 1786365798 QWBRCQJXRZYYGD-BJKOFHAPSA-N 450.554 5.046 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3F)CCC2)cc1 1786367457 QCRGINKNPMOMBK-UHFFFAOYSA-N 480.580 5.345 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccccn3)cc2)CCC1)c1ccc(O)cc1 1786963214 FRBQBZHNSVYIRT-QHCPKHFHSA-N 481.596 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](N)c4cccc(Cl)c4)cc3)CCC2)c1 1788051618 DBHLAGBFFGCUPJ-AVRWGWEMSA-N 487.003 5.415 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312651 NUEPSEPRAHRGEJ-OAHLLOKOSA-N 469.994 5.289 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1789023928 KUUVORHNNPXOPB-UHFFFAOYSA-N 483.499 5.519 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)cc1 1789366711 IPDLCDOZBUKGNY-UHFFFAOYSA-N 454.555 5.091 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cc2)CCC1 1790137709 LRTBTNAVDBUSQE-UHFFFAOYSA-N 493.007 5.461 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)c(Cl)c1 1790255844 UVBVKCLTLUNWGB-UHFFFAOYSA-N 473.960 5.211 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4n[nH]c5cc(Cl)ccc45)cc3)CCC2)cc1 1790373178 CAAAILYPQUIZAD-UHFFFAOYSA-N 483.959 5.078 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790592741 ULHJSWVOQYUXQE-DEOSSOPVSA-N 459.615 5.451 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccco3)CCC2)cc1 1791252546 VEQMFFWADBDPDJ-UGKGYDQZSA-N 495.620 5.582 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)/C(C)=C/CC)cc2)CCC1)NC(=O)OC(C)(C)C 1792065486 BEVLMFMTZPDBRL-QRYXZWMLSA-N 469.626 5.336 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(F)cc45)CCC3)cc2)c1 1792123963 VRDIXWFSGSDSLW-QGZVFWFLSA-N 481.531 5.391 30 20 JKED CCN(CC)C[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792169158 XJGCCTRDIJTUAU-NRFANRHFSA-N 490.648 5.071 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1)C2 1798337872 JUZIMDCSTSXZFN-YFXPIYGVSA-N 485.672 5.266 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc2ccoc2c1 1800503391 SNQZAJPMEBXNBV-OUOZDZGXSA-N 474.560 5.398 30 20 JKED O=C(CCCCn1cccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800504780 OTRJDCDWXORYRG-PKQPGRETSA-N 479.624 5.010 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2)C(F)(F)F 1801702222 SCBFCMQKNXTABZ-BJWYYQGGSA-N 478.511 5.010 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1802733753 GNTYAISUVDLSJK-YADARESESA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1803090752 IQAWFQBSRGOORL-FXSPECFOSA-N 478.036 5.239 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)c1 1803684811 ONKGCUVDLNNPEV-LZQXYRQZSA-N 492.579 5.621 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C#N)CCC1)c1ccc(OCc2ccccc2)cc1 1804117208 SSZHWLQIXUFMEP-RVUATISTSA-N 499.655 5.337 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)s2)[C@@H]1c1cccnc1 1804466547 GNHWVFLVEJFZBG-URXFXBBRSA-N 453.652 5.083 30 20 JKED C=CCSCC(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1 1805935010 RSMHPLCCCKYKCF-UHFFFAOYSA-N 482.612 5.179 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)C1 1806062575 APBABMXPKBQRQA-HSZRJFAPSA-N 481.687 5.249 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2C)[C@@H]1c1cccnc1 1807848228 XZYOLXWOMAICFI-IRPSRAIASA-N 494.639 5.540 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cc3cccnc3cc2F)[C@@H]1c1cccnc1 1808192931 SUQZBIGMGYIDCI-AMGIVPHBSA-N 488.607 5.010 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@@H]1c1cccnc1 1810492536 OUJFZTLNMHUFBX-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1811252708 ASVOHRJSUDYCTL-LFAGZIFBSA-N 482.024 5.222 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811434603 RSBIWYCOLMUEML-QUZZAMIASA-N 451.954 5.013 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811442915 UVWLLNFKIZTZFV-UFHPHHKVSA-N 469.560 5.011 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1812147233 AOCZCUKVYQUJNM-IGKIAQTJSA-N 487.676 5.199 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1812370330 JYNZZPLIBVECCB-RQTOMXEWSA-N 480.678 5.359 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1812795296 JSZXGWOQJTZOFG-XEDGMNADSA-N 486.660 5.491 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1813827517 LNRGFVVFRJJEPE-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)[nH]n1 1814441825 SPZICTQKEBXMLH-SFHVURJKSA-N 467.595 5.425 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(OC)c2Cl)n[nH]1 1814610071 GVMMQNDZURQHAW-IBGZPJMESA-N 487.000 5.155 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)n[nH]1 1814687333 CTVWCOZDLZOESJ-MRXNPFEDSA-N 471.772 5.017 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccc(F)cc2F)n[nH]1 1815145920 DKLRLPQYIPZNLJ-FQEVSTJZSA-N 474.577 5.241 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1F 1815160945 TUQCRXQCJPNSCU-UQBPGWFLSA-N 487.579 5.423 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(Br)ccc2F)n[nH]1 1815186713 HGLDNAZDOIPNKP-MGPUTAFESA-N 491.405 5.148 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815209333 CYEVLEVEIJPNKH-QHCPKHFHSA-N 486.572 5.598 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1815241742 JFSXNUXDJZPAKQ-VXUXFXFSSA-N 480.556 5.088 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)n[nH]2)c1 1816203011 PQFDFEIEWRGYAA-DEOSSOPVSA-N 482.519 5.035 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679415 TYFBXECURYHEJB-SUMWQHHRSA-N 457.987 5.191 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[nH]n1 1818116133 XUFKONSOKGLDNC-KBLPMPKMSA-N 494.661 5.509 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818812750 MTDBRBBMEONOKV-GTCGAKFVSA-N 495.539 5.055 30 20 JKED C=CC[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)sc2C1 1818931581 JWADMFQZFGVKDD-WFASDCNBSA-N 476.524 5.081 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1819258563 GZFQGOXNQPIUBJ-WWMYMODYSA-N 493.658 5.585 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)[nH]n1 1819300688 HEGAGMIDWQXXJB-MAUKXSAKSA-N 462.381 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)[nH]n1 1819303953 URFMSURANUEMCB-IRLDBZIGSA-N 473.577 5.447 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[nH]n1 1819307088 NXAAQMVOHYSJHO-OULNLLIASA-N 487.604 5.374 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)[nH]n1)c1ccccc1 1819517177 VENVYTUZJAJIHK-RXVVDRJESA-N 493.970 5.100 30 20 JKED Cc1cc(F)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1821063069 IECQNUCXFPMLIL-NRFANRHFSA-N 465.916 5.002 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821108483 SJAGGVFOMNVGMZ-SJLPKXTDSA-N 499.862 5.086 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c1 1821123264 SULOEQVUVSOJIO-JOCHJYFZSA-N 479.943 5.013 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccccc3Cl)[nH]n2)c(Cl)c1 1821276135 FXSASIJLKJNHJJ-OAQYLSRUSA-N 482.371 5.137 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1821922440 KABMBWVISNVQBI-UTKZUKDTSA-N 471.561 5.669 30 20 JKED Cc1ccc([C@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1822063144 MPMVUDDAHZCWHP-CBXIQKPASA-N 476.602 5.015 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1)c1ccc(O)cc1 1822979820 COZBQSCBOPNLSA-NZRVCZAQSA-N 474.605 5.051 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1Cl 1823185449 CAQYLFQUDKCBJA-HTAPYJJXSA-N 475.980 5.618 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823309055 IYKYSEJGMUJBLB-SJCJKPOMSA-N 485.799 5.267 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823807329 MLBBNHDIQKUKOP-FQRUVTKNSA-N 478.036 5.178 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1823811932 GQMYNMWGVUHJLX-AREMUKBSSA-N 489.019 5.169 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1823812328 QPOYOUITANYTLI-XMMPIXPASA-N 484.427 5.341 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(OCC(C)C)c2)CC1 1824141657 ZBERZSITZZXGBD-VWLOTQADSA-N 467.654 5.118 30 20 JKED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824490337 BRSOVZFBLBMARO-WHRAWCJQSA-N 499.095 5.272 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1824508284 UPJVYDULBWABGQ-YIXXDRMTSA-N 499.655 5.431 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)CC1)c1cccs1 1825032344 DCWOBLNSZQGALM-QRBZPYHOSA-N 491.078 5.064 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)CC1 1826401295 ZPUVCGQDFPWCET-DEOSSOPVSA-N 454.561 5.213 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c1Cl 1827777878 MPZYPCMQRMHFET-LJQANCHMSA-N 493.913 5.371 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827792618 DOHQGAMKNQNKND-HSZRJFAPSA-N 467.560 5.193 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827996716 GQDPPGQJNBACII-MUUNZHRXSA-N 467.613 5.711 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c1 1828010003 TTZKOUBJXYOFGD-HHHXNRCGSA-N 451.570 5.259 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ncccc4c3)CC2)c1 1828034997 QGEHOWKDQZGEPC-RBTNQOKQSA-N 480.612 5.409 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2cnn3C)CC1)c1ccccc1 1828313472 SNQLPHXWADRWCO-NAKRPHOHSA-N 496.655 5.004 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)CC2)CCC1 1828321953 ZHUPGHAQAVBMOG-HXUWFJFHSA-N 470.038 5.482 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cc(C)ccc2C)CC1 1828821919 UTIKZKUQZSRDLD-LOSJGSFVSA-N 452.639 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1828827214 JVEMGBKXTHOQDI-BWKNWUBXSA-N 483.056 5.147 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(Cl)cc2Cl)CC1 1829064356 ASGVHDOFRLBUMY-HXUWFJFHSA-N 466.453 5.614 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccn(-c4ccccc4)n3)CC2)c1 1829783204 YHQRVVUGKMRMLX-DFHRPNOPSA-N 495.627 5.046 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829955383 PKVPFNKWFWJINS-DEOSSOPVSA-N 461.606 5.304 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1830158915 CUISOHDRNFTAKZ-LITSAYRRSA-N 494.701 5.240 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1830422248 UBECNCNPKZCUHS-GCJKJVERSA-N 481.559 5.048 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830601143 VOMOLUJMRGMTTO-VWLOTQADSA-N 452.639 5.291 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)c1 1830715771 OEKCERUOFVBCHC-MUUNZHRXSA-N 496.586 5.306 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1830771332 SSNPYBVFQYKEKA-HHHXNRCGSA-N 498.627 5.073 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1830777775 GPMJOHIHEABNCW-RUZDIDTESA-N 495.664 5.259 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c1 1830973729 YDWYBDDTXUFKMV-RUZDIDTESA-N 472.614 5.024 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060932 WSHRFMLCTZHWFY-CPJSRVTESA-N 489.616 5.620 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1831370404 KIGHOMMGGYKGGM-RLWLMLJZSA-N 475.633 5.203 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1831526113 DXGYSAINJBVCPC-QZTYOQMJSA-N 478.658 5.219 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1832029524 FTXNIWDJLKINQH-SANMLTNESA-N 475.608 5.315 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc4c3CCCO4)CC2)c1 1832630866 OUZXBPVQWONBEC-UQBPGWFLSA-N 491.657 5.247 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CCC1 1832786372 UYNGHMNGUQSXSL-SANMLTNESA-N 494.639 5.533 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832798427 WABOHLUXULVDKI-YPAWHYETSA-N 454.577 5.168 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)CC1 1838153845 OUDMLKRUWWBLAR-SANMLTNESA-N 487.644 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CN(Cc3ccccc3)C[C@H]1c1ccccc1)C2 1844357382 FTMUGLVCIMOXFF-WUFINQPMSA-N 499.699 5.098 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 9072750 XLGMODOZVKRLAM-UHFFFAOYSA-N 481.917 5.208 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 10831161 ZTTZSQMXTVBUGS-UHFFFAOYSA-O 464.054 6.681 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Br)c2)c1 11085118 PPXUQIAQOJEYHY-UHFFFAOYSA-O 466.424 5.585 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nc2cc(-c3ccccc3)sc2c1=O 18519625 SYUNMGCMIJMKCT-SFHVURJKSA-N 475.639 6.047 30 20 JKED Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 18587093 HHEOKNRYKRALCN-OAHLLOKOSA-N 452.605 5.675 30 20 JKED COc1ccc(CCn2c(SCCCC#N)nc3scc(-c4cccs4)c3c2=O)cc1OC 22840064 IDTWYDJACCIDRL-UHFFFAOYSA-N 497.667 5.842 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 23603949 OKZFTSNJPVQMAP-UHFFFAOYSA-O 486.608 6.475 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2sc(-c3ccccc3)cc2c1=O 28381571 HKFVCLFPAOMYPA-UHFFFAOYSA-N 461.612 5.659 30 20 JKED O/C(=N\c1nnc(C(F)(F)F)s1)c1sc2cccc(F)c2c1COc1ccccc1 29284609 NYQCPVJIYUNHME-UHFFFAOYSA-N 453.442 6.126 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc12 32785760 FJUVLWWINVUYFO-UXHICEINSA-N 456.615 5.566 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CC)c1cccc(Cl)c1 46774093 RGBHNCSNZXGKHO-KRWDZBQOSA-N 451.748 5.019 30 20 JKED CC(C)CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2ccccc2c1=O 104522802 FAHIHTIBFXXPRE-UHFFFAOYSA-N 458.587 5.286 30 20 JKED C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1[C@H]1COc2ccccc2O1 116679435 XUYSLWQLVSZHPT-LJQANCHMSA-N 452.561 5.294 30 20 JKED CC1(C)OB(c2ccc3c4ccc(B5OC(C)(C)C(C)(C)O5)cc4c4ccccc4c3c2)OC1(C)C 200297962 PGKQJNOISHJIBI-UHFFFAOYSA-N 480.222 5.745 30 20 JKED C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 253593428 DDLMLVDEGJDJAF-CYBMUJFWSA-N 490.610 5.456 30 20 JKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c2ccc(Br)cc2n1 303019127 ZCAXMWGTFPXNPE-UHFFFAOYSA-N 462.269 5.382 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)nc2C)n[nH]c1=S 303343407 MBBAPTAYSMUIIW-UHFFFAOYSA-N 483.598 5.259 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc(OC)c1OC 481683957 IVTIKZDTWYYDSZ-INIZCTEOSA-N 479.508 5.185 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 491132685 JEUPVAKDGQGSQZ-DEOSSOPVSA-N 498.489 5.062 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)cc1 499775450 APBDVTAXZGLRGA-GOTSBHOMSA-N 461.359 5.836 30 20 JKED C[C@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(F)cc1 502024065 PHYKUKIBTZXUNW-GFCCVEGCSA-N 459.365 5.583 30 20 JKED CCCN(CC(F)F)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503314671 SYHDGRXBFPYRDV-UHFFFAOYSA-N 464.744 5.076 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)nnc1-c1cccnc1 503715501 ZURKDZDCPUPYPN-ZIAGYGMSSA-N 464.620 5.215 30 20 JKED CC(C)n1ncc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc21 504811896 MTDMLKHEDHBZII-UHFFFAOYSA-N 469.570 5.472 30 20 JKED Cc1nn(-c2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)c(C)c1Br 509603719 LTKDJWKJIKYPCM-UHFFFAOYSA-N 453.340 5.163 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 510245675 VRBGCOUJAUNHGK-UHFFFAOYSA-N 457.574 5.042 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 511392138 UDQHORRWYCLMDQ-UHFFFAOYSA-N 464.569 6.224 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 511420109 IBOOWXQFDWLWJC-LJAQVGFWSA-N 473.576 6.511 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCNc2ncc(Cl)cc2Cl)cc1 511439018 NLKNJUGVNXTNRW-UHFFFAOYSA-N 470.360 5.267 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 514297490 OXSNKQUZAAKSHK-QGZVFWFLSA-N 473.989 5.638 30 20 JKED C=CCN(C(=O)Cc1nc(-c2cccs2)oc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514339201 IUNKXHXVBYRFMK-UHFFFAOYSA-N 466.544 5.505 30 20 JKED Cn1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(C(C)(C)C)cc1 514897892 CFLKUFKRLDRFHR-UHFFFAOYSA-N 465.648 5.322 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516014738 ZODOUAFTGXECHQ-VGOFRKELSA-N 471.944 5.900 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)sc2C)cc1 516270193 PEASBAUVUALMMD-NRFANRHFSA-N 455.564 6.217 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 518756013 VKHPTBDGEZWJCR-NYHFZMIOSA-N 469.010 5.714 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1Cl 519058555 IICXYPGIJOYYJH-UPVQGACJSA-N 458.949 5.091 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)CC2)c1 519139586 XAWVQYUSUBEDHY-UHFFFAOYSA-N 480.490 5.324 30 20 JKED CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 520411572 QZMSAKXJSBAVHR-FQEVSTJZSA-N 452.533 5.702 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)s2)cs1 520653408 LZUGXNPTPRZDGX-UHFFFAOYSA-N 488.594 5.141 30 20 JKED COc1ccc(COCc2cccc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)c2)cc1 520693247 BGGIPWIMLNPEKY-UHFFFAOYSA-N 459.571 5.530 30 20 JKED COc1ccccc1CC1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 524199625 NLLRMPFKDLMDJL-UHFFFAOYSA-N 469.585 5.827 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 553320302 ZASKDCZLQANKBY-KRWDZBQOSA-N 488.451 5.713 30 20 JKED Cc1cccc(Nc2nnc(SCCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)s2)c1 590615102 IMLSCGNAXLLXAJ-UHFFFAOYSA-N 492.630 5.642 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(Nc2ccc(C)cc2)s1 597180753 UOFFFTBJHOFFJQ-INIZCTEOSA-N 453.593 5.026 30 20 JKED CCOc1ccc(Oc2ccccc2NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 603649457 JRNJVNLYHPPVPA-UHFFFAOYSA-N 470.573 5.489 30 20 JKED C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1=O 603672808 SLSRHPXFSZZNMG-HNAYVOBHSA-N 498.530 5.173 30 20 JKED CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603766192 MSRMPMFHIMCQTG-OAQYLSRUSA-N 452.963 5.430 30 20 JKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003181 IQSKNZYETKDZGD-INIZCTEOSA-N 455.341 6.044 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(F)c1 604088134 DTZBKFBXXBQDIL-QHCPKHFHSA-N 475.911 5.788 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)cc1C 604482529 MQFVTBLZIPUNSM-JOCHJYFZSA-N 467.617 5.136 30 20 JKED C=CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 604514209 OIVCTVBWLDMQCK-UHFFFAOYSA-N 478.313 5.587 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3c[nH]cc3-c3ccccc3)s2)c(C(F)(F)F)c1 608890009 UCDLBNLERWHFHY-UHFFFAOYSA-N 452.461 5.872 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)cn2)cc1 608938308 ZCCVBMYZHQQMRB-UHFFFAOYSA-N 455.543 5.210 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12 609020120 DBBHSYWTMCTDLZ-UHFFFAOYSA-N 479.496 6.226 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 609061410 NXEMHLDXFNZPPP-SZPZYZBQSA-N 469.585 5.307 30 20 JKED N#Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)ccc1F 609103094 LWFRYFDASMVBNM-UHFFFAOYSA-N 454.244 5.057 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 609126216 CHNGAMJDUBXASU-HZPDHXFCSA-N 456.386 5.990 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)CC2)c1 609199682 SWKGZFKQYROCPO-UHFFFAOYSA-N 472.492 5.776 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2F)c1 609208619 ZEPVBZJNYHJLIU-UHFFFAOYSA-N 470.504 5.223 30 20 JKED COC(=O)c1cn(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2ccccc12 609378291 ALPZNSSLLHDISB-UHFFFAOYSA-N 461.465 5.091 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609437853 NKXZVYJPQRZLJS-UHFFFAOYSA-N 454.313 5.254 30 20 JKED N#C[C@H](C(=O)c1cccn1Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346763 QBAYINAYBDFPRE-GOSISDBHSA-N 452.366 6.457 30 20 JKED O=C(NCCc1ccccc1C(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618922179 XQDCLFDOUPEIOT-VXGBXAGGSA-N 450.345 5.457 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642175442 ZNYFIFWOODMONQ-CHWSQXEVSA-N 451.386 5.268 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)c2nc3ccccc3o2)c1 645090867 NYWNYEOTGVSQLI-UHFFFAOYSA-N 481.961 5.139 30 20 JKED CCOc1cccc2cc(C(C)=NNc3nc4ccccc4c(=O)n3CCCOC(C)C)oc12 725843423 SOZGHTCPVQFLHO-UHFFFAOYSA-N 462.550 5.193 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CC1)c1cccs1 726421777 PNCWQTNRPUXVNR-OFZVJMGQSA-N 478.437 5.063 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3c(C)noc3C)C2=O)c1 726422442 WCRRXGFACVULEO-PKWGXKOHSA-N 496.658 5.560 30 20 JKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1NC(C)=O 726426956 AMJXRYRECAEZQC-YFHOEESVSA-N 469.950 5.344 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2ccc3c(c2)CCCC3)C=C1 726569531 CQORGHHLODPBFP-UHFFFAOYSA-O 470.574 5.106 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCC3)cc1 726571621 ZJDHVMJEJMFYDY-UHFFFAOYSA-O 489.064 6.609 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 726892582 VMLPAGRBABPXPA-HRAATJIYSA-N 494.642 5.490 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)[C@H]4CCCOC4)c3C#N)C(C)(C)C2)o1 727906942 DKFZYRWPEVSHFV-KOEDOTQGSA-N 480.586 5.208 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)ccc2Cl)c1 728007840 QHYLUKTXAHYIOE-UHFFFAOYSA-N 479.360 5.766 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 728297480 GRGNVGVPBOEVHH-IBGZPJMESA-N 488.563 5.197 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cccc(C(=O)N(C)C)c1 728459752 CCBMGWQAYMXMDN-HSZRJFAPSA-N 488.569 5.223 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCc3c(C)cccc32)cn1 729631862 MBPYUSYPUHAWMN-PKTZIBPZSA-N 486.597 5.046 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 729668108 BJSMJTHZANUXCD-UHFFFAOYSA-O 485.585 5.304 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 730690299 SDDAGQJRAPWXJR-KSFYIVLOSA-N 453.395 5.706 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2ccccc2c1 730726299 ZATMSGMTEZVVBI-JPYJTQIMSA-N 499.596 5.204 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CSc1ccc2ccccc2c1 731063803 RZPKVXQACRYNIX-KRWDZBQOSA-N 450.585 5.508 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12 731064194 UMDCTKCEJUTMON-QGZVFWFLSA-N 458.539 5.705 30 20 JKED Cc1nc2cc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2n1-c1ccccc1 731065068 YSOXEOSLYJEVFV-SFHVURJKSA-N 484.581 5.524 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCCC1 731076184 YSKVLXOLFQYCLF-GOSISDBHSA-N 454.567 5.461 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2)cc1 731305140 HPCGBHCHJISLIT-XMMPIXPASA-N 489.597 5.008 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 743526754 WSMFGUZMVDJSNF-JOCHJYFZSA-N 465.550 5.504 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c(C)nn(-c3ccccc3)c2C)c1 744761333 GJKUHSNGHILQGS-UHFFFAOYSA-N 460.607 5.262 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2oc(C(C)C)nc2C#N)cs1 745613754 NNUXLVDJFNVCIS-UHFFFAOYSA-N 462.457 5.276 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(C3CC3)C2=O)c1 745989262 OHFSLSFEUQWJSG-LJQANCHMSA-N 494.400 5.133 30 20 JKED CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 750782045 IZTHTVKHXUVXGN-UHFFFAOYSA-N 451.592 5.086 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Cl 751086893 MENFMIYFKQWLAQ-GOSISDBHSA-N 470.710 5.918 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CC(F)(F)F)C2=O)c1 799219038 KEPCBHFAZGQPCG-QGZVFWFLSA-N 469.916 5.479 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)nc(O)c2C#N)cc1 824963342 AETIVPTZIBJUQN-ZGWJWYQGSA-N 486.597 5.091 30 20 JKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(OC)cc4)c23)cc1 914773193 NAPLWXNDEDNYIA-UHFFFAOYSA-N 488.617 6.077 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccco2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101640 JIERVMJFYYMVHG-HNNXBMFYSA-N 468.947 5.184 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2SCc2ccccc2)CC1 915140487 IPQXQIJJIMIWKW-UHFFFAOYSA-N 484.581 5.954 30 20 JKED CCOC(=O)CCc1c(C)c(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c2ccccn12 915944731 UKWSPOGZUIGFIV-UHFFFAOYSA-N 498.608 5.372 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(OC)c2)N(Cc2ccco2)C1=O 916206863 TXMJKEYPQUSRGL-HSZRJFAPSA-N 493.585 5.238 30 20 JKED CCOC(=O)c1ccc(-c2ccc(C=Nn3c(S)nnc3SCc3ccccc3)o2)cc1 916368948 XDAHTWRRLQBUBR-UHFFFAOYSA-N 464.572 5.178 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)cc2OCC)c1 916473525 LITVTJFHHARYDN-UHFFFAOYSA-N 488.968 5.511 30 20 JKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 916877320 COWVAZBGKOPKCO-UHFFFAOYSA-N 484.552 5.332 30 20 JKED N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1ccc(SC(F)F)cc1 916888233 UFKDPIIUNGXOIO-GOSISDBHSA-N 455.486 5.327 30 20 JKED COc1ccc2cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)ccc2c1 916905311 MPZKOQVLLCQFEH-LHXPAFFWSA-N 462.505 6.001 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916911938 YMVXPXOOOMZLOW-QFIPXVFZSA-N 498.564 5.113 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc(-c3ccco3)nc21 916944650 KCVJZIXBEGTIGI-KRWDZBQOSA-N 482.327 5.540 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)n2)cc1 916975341 XWICKNMVNDUNRV-XUVXKRRUSA-N 455.608 6.655 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2cccc(O)c2)C=C1 917614441 VTRUYGOYUSWCCK-UHFFFAOYSA-O 476.622 5.533 30 20 JKED CC(C)Oc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 917673947 JTZJRSFLBSPTFT-JOCHJYFZSA-N 492.576 5.168 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccc(Cl)c1 917700410 FSFXIBHZTMNQBI-JOCHJYFZSA-N 492.963 5.511 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)cc12 919666742 MTCUEOCKTDHZLY-INIZCTEOSA-N 483.380 5.723 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 919915311 DNSVFOFXBTUGOT-UHFFFAOYSA-N 454.574 6.313 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 920106122 KXPIHKBQXCTAAD-SFHVURJKSA-N 469.501 5.130 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3c(C)noc3C)C2=O)cc1 920354616 FSCPXWUXJFJFQB-HSZRJFAPSA-N 476.602 5.377 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2c(C)noc2C)cc1 920354886 IDZJOSFNRXLTTE-RUZDIDTESA-N 498.608 5.914 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC1CCC1 920927718 UAAWMPCGQTYIRS-FQEVSTJZSA-N 475.536 5.774 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 1357542588 HYFLQHRNDWHFSW-INIZCTEOSA-N 482.443 5.158 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccs4)on3)CCC2)cc1 1786366867 ATUNQMQHHDZONE-UHFFFAOYSA-N 465.575 5.134 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1 1786914752 DDTWUTCNVPFOTO-TVXVBNPNSA-N 493.604 5.286 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)c4ccco4)CCC3)cc2)c(O)n1 1787172910 MVRWZXXXWDHZNC-UHFFFAOYSA-N 481.499 5.039 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cncn3-c3ccc(Cl)cc3F)cc2)CCC1 1788690556 WWGKYVQLHAUWKY-QGZVFWFLSA-N 496.970 5.004 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)cn1C 1788796493 IDJREGWHWTWSMM-UHFFFAOYSA-N 491.389 5.029 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccnn3-c3ccccc3)cc2)CCC1 1788868279 PFKAYJJDUCMMLW-BUHFOSPRSA-N 496.592 5.121 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789394183 UQMJFTGKTJQNAX-UHFFFAOYSA-N 498.970 5.520 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)cc3)CCC2)cc1 1789532470 JPJJRCQBYORRHT-UODIDJSMSA-N 479.605 5.388 30 20 JKED CC(C)(C)OC(=O)C(C)(C)CC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790289906 YLIABTOWCYIRJB-UHFFFAOYSA-N 475.589 5.064 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4oc4ccccc45)cc3)CCC2)c1 1791008321 FZHVIKCAFCYCSP-UHFFFAOYSA-N 474.520 5.847 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(Cl)cc3OC)cc2)CCC1 1791148832 BIJDGEUKIZBHLT-UHFFFAOYSA-N 470.997 5.008 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1791560689 CJOXFKSWAZJMDO-NFBKMPQASA-N 481.637 5.008 30 20 JKED COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)c1 1791577704 RCFZFIAAORLGFL-MRXNPFEDSA-N 499.633 5.108 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)COc3ccc(Cl)c(F)c3)CCC2)cc1 1791726208 HDGKVDZBQUVEMN-UHFFFAOYSA-N 456.945 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792337571 LZEJTARJVFEJBZ-CDIGIKMISA-N 493.648 5.287 30 20 JKED N#Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](F)c4cccc(F)c4)c2)C3)cc1 1792638135 DREIRGMIFFEVPV-UMNYJUJISA-N 499.561 5.251 30 20 JKED C=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1801833072 JAYBNJWNLLSLRB-BJESRGMDSA-N 489.701 5.187 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1803084635 UOHUVWODQYPKHE-RCZVLFRGSA-N 474.630 5.088 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(O)c3cc2OC)[C@@H]1c1cccnc1 1803089660 CKMWADFGPLMEOG-QDPGVEIFSA-N 499.611 5.037 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1)c1ccccc1 1807964545 DHSCQSMWSCMZJA-KYPHJKQUSA-N 497.620 5.406 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H]1c1cccnc1 1808951466 GCEKHGBVEMFNMD-MUAVYFROSA-N 476.580 5.193 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@H]1c1cccnc1 1810173041 OERHTTLJRJFKKW-LSNQXMIESA-N 473.661 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(C)s2)[C@H]1c1cccnc1 1810502270 GPRKPRAHHINLIN-DSQTUEOOSA-N 451.636 5.163 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccccc3)CCC2)[C@@H]1c1cccnc1 1810503486 RPEPLPPFYFEBAF-UKILVPOCSA-N 459.634 5.202 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccccc4)CCC3)[C@@H]2c2cccnc2)c1Cl 1811423629 BMFOCNOOWBCEMN-BKMJKUGQSA-N 499.014 5.048 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccccc4c(Cl)c3OC)[C@@H]2c2cccnc2)C1 1811438143 GVRAKUHPZPQLFG-CPJSRVTESA-N 490.003 5.183 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811719267 WSVYBIGHWHEUJV-CUNXSJBXSA-N 487.625 5.113 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813057905 JOFCDGKXSPXXHW-BKMJKUGQSA-N 499.577 6.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1813829902 GJNMAYCARPKXGY-YZUZCNPQSA-N 451.998 5.131 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1814303141 LXYARGXPFJLSIM-OMRWSRCMSA-N 469.629 5.394 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)[nH]n2)C1 1814393256 BBVYGKQGOKJBTG-OAQYLSRUSA-N 498.509 5.091 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)[nH]n2)C1 1814396971 NJZKBVFVEFHOIW-XMMPIXPASA-N 480.572 5.225 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)[nH]n1 1814440462 SAADYTVPDCUDJE-GOTSBHOMSA-N 464.610 5.098 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)c(OC)cc(OC)c2F)[nH]n1 1814441790 GGFJDDFBPTXSJP-MRXNPFEDSA-N 490.551 5.003 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)[nH]n1 1814445165 BHMIJCPQIQZSIW-HXUWFJFHSA-N 489.661 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2cccc(Cl)c2)n[nH]1 1814665459 XRGJQVPRYURGCB-FQEVSTJZSA-N 458.990 5.127 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)n[nH]2)c1Cl 1814719503 ORGZCRJUQZKNLR-TUNNFDKTSA-N 491.954 5.183 30 20 JKED O=C(/C=C\c1c[nH]c2ccccc12)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1815788007 VQBBZOYOWHWLAR-JETIAOTOSA-N 499.596 5.097 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818208938 PAGSFDSGCDVTSQ-INIZCTEOSA-N 452.477 5.320 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)[nH]n1 1819306647 BPKCGSCOOGFKKN-JFYQVNSESA-N 467.013 5.627 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1819308953 JATBFLIYEALKTM-FDDCHVKYSA-N 477.996 5.686 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384668 VMHVYHBNLNAYKS-LJQANCHMSA-N 486.714 5.227 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2ccncc2)[nH]n1)c1ccccc1 1819516686 KXKRRNVOJAZNAZ-AOYPEHQESA-N 483.616 5.017 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1820639944 XFDFOTZKFSEQCZ-RUZDIDTESA-N 485.588 5.009 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1)c1ccccc1 1821178777 GPWXITVVSOMXGO-AOYPEHQESA-N 469.589 5.221 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821385050 NYZWKTSEFCFUFZ-VFNWGFHPSA-N 451.958 5.129 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 1822281658 IVPHGGAACDBCLN-YWZLYKJASA-N 491.419 5.032 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)S)n[nH]2)cc1Cl 1822384996 KWGABMSKRZWEQK-SJKOYZFVSA-N 485.437 5.128 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)cc1 1823685539 BATWBRKRHBHINN-RUZDIDTESA-N 481.999 5.217 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1823751269 PBPRZEHHFOVXKS-MHZLTWQESA-N 496.692 5.660 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)CC3)c[nH]2)cc1 1823809982 BYAHCHYWBVIUNF-GDLZYMKVSA-N 494.639 5.338 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)CC1 1824126270 MATVYMJCMVOJGB-NDEPHWFRSA-N 477.693 5.291 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824246540 QYNBKMJMUICVHS-NHQWAZTISA-N 477.114 5.552 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1824513301 YRHBVGUXTQCXEN-KKSFZXQISA-N 486.962 5.183 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1824542240 UBXXDVKPOOUNLF-GOTSBHOMSA-N 474.070 5.076 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825094395 VWJUDFFPYBQHRX-RRVSEZQMSA-N 459.634 5.569 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@H](S)C(C)C)CC3)c[nH]2)cc1 1825422493 JFDVAJHDVYQVDU-LOSJGSFVSA-N 467.679 5.178 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1826311033 SNIHNVOAERCCLT-VSGBNLITSA-N 471.645 5.304 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)c(Cl)c1 1826504394 NJRALZQUMDBKPE-DEOSSOPVSA-N 484.427 5.341 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC#N)CC1)c1cccc(NC(=O)OC(C)(C)C)c1 1826691370 QPGDXOZEUJWIEQ-GBXCKJPGSA-N 496.652 5.061 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826781454 OUXOVQNGMDLKAO-URQJIXFOSA-N 489.704 5.753 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(OCC(C)C)c2)CC1 1827695195 AUAOCPPAKADHCT-RUZDIDTESA-N 467.654 5.118 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2cc4ccccc4o2)CC3)c1 1827696430 BHHSALYLNRVHKF-GNJIXXJRSA-N 496.592 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828139704 QIOCSQDHVVZJKF-BVAGGSTKSA-N 463.622 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1828824722 PDSQGRDPQCAGBB-SHQCIBLASA-N 477.649 5.107 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1828847264 OFLLCARRFVIIFR-ZEQKJWHPSA-N 481.757 5.158 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)CC1 1828936856 SXPPBTRTUWDXHW-BELIEFIBSA-N 466.691 5.486 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1)c1ccccc1 1829030962 VRVCZUWTIFZRNZ-BDYUSTAISA-N 460.618 5.327 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(Cl)c2)CC1)c1ccccc1 1829031347 ZPGXRZBNPDWAEX-DQEYMECFSA-N 478.036 5.166 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1829564824 QNAXHCSTAOVQMT-MUUNZHRXSA-N 496.655 5.657 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829673346 OCBSYPNRSJJSAA-BWKNWUBXSA-N 451.586 5.309 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1Cl 1829689812 QYUOIQQHGCEOEE-JOCHJYFZSA-N 471.935 5.037 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1829707705 LWMDWEXOQJMYDI-JOCHJYFZSA-N 454.998 5.311 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)CC2)c1 1830191548 IQIHPCQJBIYGMX-KMRXNPHXSA-N 482.628 5.271 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830450186 UXGGGTPHBSPJLZ-XCZPVHLTSA-N 478.583 5.531 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F 1830542290 WCSQZVOQIZODIA-GOSISDBHSA-N 496.879 5.711 30 20 JKED O=C(c1ccncc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602141 RYGLAVQYGRLHLU-GDLZYMKVSA-N 477.608 5.029 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)oc2ccccc12 1830718809 MDPWBGUPZHXUNM-DEOSSOPVSA-N 473.548 5.299 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831018690 YFMDPRZBUZFDFU-XZOQPEGZSA-N 474.070 5.076 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(Cl)cc3Cl)CC2)c1 1831306980 QKEQDAQITRSMTP-HSZRJFAPSA-N 487.431 5.059 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1ccc(Cl)cc1 1831307906 VTKOCQGERDNXSJ-BJKOFHAPSA-N 470.057 5.393 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1831371742 KRPGDPLHOMOTBJ-CLOONOSVSA-N 451.586 5.266 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1)C(F)(F)F 1831448918 OIUMQHSTTQGTIW-YWZLYKJASA-N 456.936 5.182 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1832028269 NZQRXZSUWABQRU-HHHXNRCGSA-N 471.645 5.484 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CC1 1832370963 LFVIKVQOZFQCAN-JLMWRMLUSA-N 490.570 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnn3-c3ccccc3)CC2)c1 1832632507 SCYKDEWDHVMSJF-CUNXSJBXSA-N 495.627 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)CCc3ccccc3Cl)CC2)CC1 1836696174 MAFIQIQHWGADNQ-UHFFFAOYSA-N 473.057 5.040 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CCCC34CN(C(=O)[C@H](C)ON=C(C)C)C4)cc2)cc1 1845298494 KWFSOPXXVQDUJU-QFIPXVFZSA-N 475.633 5.314 30 20 JKED C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2)C(=O)Nc1ccccc1C#N 8629221 BTPSEIHTUNQGCV-CSRGTXSUSA-N 489.531 5.483 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(Cc2ccccc2)cc1 10118186 FJVHHKQLLWFZFT-UHFFFAOYSA-O 498.584 5.533 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Oc2ccccc2)cc1)[n+]1ccccc1)c1ccc(F)c(F)c1 10171028 DJIFVDQYCUXLJO-UHFFFAOYSA-O 461.513 6.096 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2ccccc2CC)cc1 10173459 ZXOQTYQGBVGPCP-UHFFFAOYSA-O 468.440 5.912 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1 10173770 XVERPMIBYSOBCH-UHFFFAOYSA-O 462.378 5.436 30 20 JKED O=C(/C(=C(\S)Nc1ccc2c(c1)OCCO2)[n+]1cccc(O)c1)c1ccc(-c2ccccc2)cc1 10179530 WJUFABKRYANOFT-UHFFFAOYSA-O 483.569 5.169 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1C#N 10711280 ADNBZBHVURZZKV-SNVBAGLBSA-N 450.347 5.043 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)cc2F)cc1 11248151 WDLHCFOOHFGZAF-UHFFFAOYSA-O 475.531 6.485 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 14682346 MQKWHAIIJGSWJN-UHFFFAOYSA-N 459.600 5.094 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2OC)c1 15614713 AGPJJOXRZZPYRI-UHFFFAOYSA-N 470.978 5.291 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccccc1OC 16863543 QFUSVHGNTBXBCO-HNNXBMFYSA-N 472.998 5.229 30 20 JKED C=CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 17652992 CEJTYSJABKZNEL-OAQYLSRUSA-N 461.612 5.233 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 18947618 GGKNAFQARFWNOH-UHFFFAOYSA-N 489.347 5.079 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)n2C2CCCCC2)cc1 21682466 POMQKQRGVBILRM-HXUWFJFHSA-N 489.645 5.886 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22728153 BCHKUVPZQJDNEJ-UHFFFAOYSA-O 486.060 6.886 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2cnn(Cc3cccs3)c2n1 26217669 BRHQWXHNTVYPAT-UHFFFAOYSA-N 470.583 5.021 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 46667789 KPHHPLVORRPXKZ-UHFFFAOYSA-N 482.500 5.076 30 20 JKED C[C@H](COc1ccc(F)cc1F)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 108868137 VOBVTVANVRJHPE-LLVKDONJSA-N 493.354 5.385 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 303219668 UOVVNVKQGRNZOE-UHFFFAOYSA-N 489.019 5.885 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 303327584 VRNKJCONDWJMGA-CQSZACIVSA-N 458.012 5.118 30 20 JKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc([N+](=O)[O-])c2)CCC3)CC1 490028167 GEQOEBGIBCGHJU-HMMYKYKNSA-N 452.514 5.396 30 20 JKED CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 498370460 BFBNUVJEXSQQKL-SANMLTNESA-N 496.579 5.836 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4cccc(Cl)c4)no3)s2)cc1 499310431 GAWPCQFIMXPDSR-UHFFFAOYSA-N 453.936 5.263 30 20 JKED O=C(C[S@](=O)Cc1ccc(F)cc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 501196141 QPDBUPMFHNBUCA-GDLZYMKVSA-N 461.786 5.404 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(I)c2)cc1 503379359 VWTQTABXFHTGTQ-UHFFFAOYSA-N 474.323 5.250 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](c3ccccc3)c3ccc4c(c3)CCCO4)CC2)c1 504475369 MRDUYPGJGUHSTC-MUUNZHRXSA-N 494.595 5.033 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 504789206 DDHKHYDZXTXAOC-UHFFFAOYSA-N 468.560 6.067 30 20 JKED CCOc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 505324944 KSYOPGXDAYHDCC-CYFREDJKSA-N 482.584 5.639 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1Cl 506273842 RWCKLPVLTLHYST-HXUWFJFHSA-N 453.329 5.409 30 20 JKED CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 506505803 RTFYVAQTFGWGBC-UHFFFAOYSA-N 486.315 5.058 30 20 JKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)o1 509901687 MHXFTOMJPGUMDE-SIBVEZHUSA-N 455.558 6.245 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 510257987 QVEKZLLIPGHAHY-UHFFFAOYSA-N 452.514 5.655 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCN(CCCc4ccccc4)CC3)c2)cc1 513985754 SFYWBURGVDHOGB-UHFFFAOYSA-N 482.628 5.504 30 20 JKED Cc1csc(Sc2ccc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)cc2[N+](=O)[O-])n1 514535585 ULYUZJMRDVGFSO-UHFFFAOYSA-N 452.561 5.685 30 20 JKED COc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 516034082 OBFALPRSWKBBHF-ZCYQVOJMSA-N 473.960 5.306 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1 516738702 FAJWBFCIOUAWGZ-HSZRJFAPSA-N 494.016 5.060 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)cc2)c1 517527616 IHTIGZZMZZLHKS-UHFFFAOYSA-N 479.458 5.499 30 20 JKED Cc1ccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 517532482 INZQUHCZWUOUQH-LJQANCHMSA-N 459.571 5.437 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-])c1ccccn1 517801163 YSDDLYXRAMPUQO-QFBILLFUSA-N 469.526 5.776 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)cc1 520174268 BAPOYJUJHIIPQW-UHFFFAOYSA-N 470.573 5.899 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N 520856492 HNZCLIHKQHZPRJ-AWEZNQCLSA-N 475.412 5.160 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 520911614 BPPYVYOINPYECE-UHFFFAOYSA-N 497.624 5.286 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4ccccc4c3CSc3ncccn3)n2)cc1 522489185 MOVMCVFPJPMQRQ-IBGZPJMESA-N 493.573 6.000 30 20 JKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(C(F)(F)F)cn1 522529259 JHHSQLFKWACAER-HNNXBMFYSA-N 454.433 5.419 30 20 JKED CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 524697144 GTJAYGRSYONOOU-UHFFFAOYSA-N 482.540 5.431 30 20 JKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nc2sc3c(c2c1=O)CCC3 549098745 LBPSSPKLTLIDLE-UHFFFAOYSA-N 491.425 5.782 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1csc(Cc2ccc(F)cc2)n1 588787317 OMFVUGGGFJOGLH-RYUDHWBXSA-N 454.411 5.512 30 20 JKED CCN(CCC#N)C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1 603900682 RMMUSIHLKSRHEW-UHFFFAOYSA-N 480.640 5.030 30 20 JKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604088149 HEJGXGGVUWTFJI-KRWDZBQOSA-N 472.936 5.810 30 20 JKED COc1ccc(OC2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 604099113 UZICXXGBUBPNHZ-UHFFFAOYSA-N 458.583 5.543 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCSc4c(F)cccc43)cc2Cl)cc1 604140866 PWIRHXJBCYRYOR-FQEVSTJZSA-N 481.936 5.435 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl 604288832 XHPBVHDWVKKACF-RVKKMQEKSA-N 489.847 6.590 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 608792879 MNMXVLOLJBNREL-QHCPKHFHSA-N 476.983 5.589 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 608918621 OKFRJLJTOQISNX-UHFFFAOYSA-N 481.644 5.001 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1cc(I)ccc1Br 609048943 KUCQYYQSYGJWSQ-UHFFFAOYSA-N 477.165 5.335 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 609072376 KBFDCJYMBWLOPS-HSZRJFAPSA-N 477.973 5.541 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 609077577 FTBSSOHCJSVCKX-UHFFFAOYSA-N 468.340 5.121 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1OC 609080155 VDKHWUPSIDOMOS-UHFFFAOYSA-N 495.963 5.181 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C#N 609110931 ZVYVOSLVIVVDSR-UHFFFAOYSA-N 458.518 5.395 30 20 JKED CN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1ccc(C#N)cc1F 609217938 YIXDXDXMIPDENN-UHFFFAOYSA-N 461.500 5.434 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c12 613392042 CAIWEAYXQHNJMG-KRWDZBQOSA-N 455.568 5.619 30 20 JKED COc1cc2cc(C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)[nH]c2c(OC)c1OC 613394318 RVSMXAZNCNLNGJ-HFUDCSMTSA-N 491.613 5.608 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)C(C)C)c1 642037407 VZCPPTUWBDGBDK-UHFFFAOYSA-N 472.994 5.365 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642380198 DGIDTYOZOPTRDO-GUBZILKMSA-N 480.218 5.381 30 20 JKED C=CCn1c(SCc2csc(C3CCCCC3)n2)nnc1[C@H]1COc2ccccc2O1 643092423 LGGXIHUCEIDDGM-HXUWFJFHSA-N 454.621 5.773 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CNc1cc2c(cc1Sc1ccccc1)OCCO2 725795638 KICUOSWNKZSHFK-UHFFFAOYSA-N 451.935 5.185 30 20 JKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(OCC(=O)N2CCCC2)cc1 725837217 IVHNSJFFMLKRKB-UHFFFAOYSA-N 489.576 5.335 30 20 JKED CCn1c([C@H]2CCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc2ccccc21 726307141 MCABSJPHXFGYBH-JYFHCDHNSA-N 477.568 5.014 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 726319889 PGLBCCFFWVCSHB-GOSISDBHSA-N 478.480 5.474 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2C)cc1F 726410531 HKTHZTIJMCHBDV-QHCPKHFHSA-N 495.551 5.442 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccn1)c1cccs1 726422617 XPBZYTXDIBIFEK-YFTNHADJSA-N 486.569 5.011 30 20 JKED CC(C)Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(CO)c2)cc1 726570866 MRCIICMNKHLVDB-UHFFFAOYSA-O 479.025 5.513 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@@H](C)c2cccs2)cc1 726579283 SJSXYPZQCPUTIE-SFHVURJKSA-O 480.679 5.566 30 20 JKED NC(=NOCc1nnc(-c2c(Cl)cccc2Cl)o1)c1cccnc1Oc1ccccc1 726596873 HVIXACSUYGAQAR-UHFFFAOYSA-N 456.289 5.068 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)OCc1nnc(-c2c(Cl)cccc2Cl)o1 726636554 PUAHCPKLRFJHSQ-UHFFFAOYSA-N 450.281 5.939 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2ccccc2C(C)C)cs1 727061529 LBSQXESQPJGXNM-UHFFFAOYSA-N 472.039 5.925 30 20 JKED COc1cc([C@H](C#N)NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc(OC)c1OC 727646877 IADJDFAPKPWIJM-JARZOMNASA-N 468.962 5.489 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3scnc3C)C2=O)c1 729144082 AVIOHKRDJKPXEC-HXUWFJFHSA-N 499.061 5.882 30 20 JKED CC(C)N(C(=O)c1ccccc1SCC#N)C1CCN(C(=O)c2ccccc2SCC#N)CC1 729356224 DQFHHLRNXFTCLY-UHFFFAOYSA-N 492.670 5.073 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)c1 729630796 AGTKCKOMFCLHPJ-XUQWWMNUSA-N 492.670 5.658 30 20 JKED O=C1/C(=C\c2ccc3ncccc3c2)CN(CC(F)(F)F)C/C1=C\c1ccc2ncccc2c1 730432974 AGOHUVRZZXNEOW-BQGZOASHSA-N 459.471 5.697 30 20 JKED Cc1ccc2c(c1)[C@@H](N1C(=O)[C@H](CC(=O)Nc3cnccn3)SC1=Nc1cccc(Cl)c1)CC2 730720691 TYCIAZSGVNEHRL-SFTDATJTSA-N 492.004 5.086 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3-c3ccccc3)N(Cc3cocn3)C2=O)cc1 730727741 UUAUKMWWISWMNB-VWLOTQADSA-N 496.592 5.811 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N([C@@H](C)c2cccnc2)C1=O 730943699 JNBXXMYQWADVIJ-YADARESESA-N 488.613 5.429 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 731066441 NERVEQTYVCXCHW-QGZVFWFLSA-N 474.542 5.997 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731307497 SXBDLCJIEAOXRU-LJQANCHMSA-N 471.991 5.268 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1cccc(C)c1 808049703 ASZOSHOVOQRDJB-LJQANCHMSA-N 459.600 5.366 30 20 JKED COc1ccc(-c2nc(SCc3csc(-c4cccc(OC)c4OC)n3)nc(O)c2C#N)cc1 824954786 SHCXQIUELOAWOZ-UHFFFAOYSA-N 492.582 5.162 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 838277541 AJUQDUNFPVJFOD-HXOBKFHXSA-N 476.577 5.505 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccccc1F 838480833 DOKBSXZDRJFBCG-HSZRJFAPSA-N 493.560 5.003 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCCC1 838504148 KQKMDXSYMWCWLG-HXUWFJFHSA-N 491.535 5.617 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 838571642 OZWJRZWAAIMSGB-KRWDZBQOSA-N 469.435 5.106 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 912536841 UGBMOHYZWGXSBA-IBGZPJMESA-N 461.587 5.156 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 915086139 HAFJGECMEBXFDM-DEOSSOPVSA-N 456.523 5.161 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2ccccn2)C1=O 916205947 MRJDPWUWTXDSOW-JOCHJYFZSA-N 495.004 5.213 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccccn3)C2=O)c1 916206406 YLJYGGWVWUUWHM-JOCHJYFZSA-N 496.995 5.651 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O 916217404 MJXJQHUNNMKIIU-VWLOTQADSA-N 496.592 5.404 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2)c(C)c1Cl 916887545 PKWXVVRMTFMAFI-GOSISDBHSA-N 474.920 5.418 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccc(Br)c1 916913828 ZAGQJLMRCXZDEC-SFHVURJKSA-N 470.754 5.471 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916919541 YSCRJBZJRTYODP-QHCPKHFHSA-N 461.496 5.943 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)cc1Cl 916938885 ORSOIDXOVDZLSF-HSVJCBRXSA-N 457.235 5.382 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916946501 WSXHOYVIIKUKAT-QGZVFWFLSA-N 460.342 5.477 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1 916954634 VDXHGBBASCZMGQ-QGZVFWFLSA-N 464.934 5.019 30 20 JKED N#C[C@H](C(=O)Cc1cc(F)cc2c1OCOC2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031129 PLRRGRFGPHTJCM-XMUJVURDSA-N 452.551 5.035 30 20 JKED Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)c1 917044757 UUWJDBCQYAOYRO-MRXNPFEDSA-N 457.502 6.166 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917703791 PGBMRLFILLRIEW-HTAPYJJXSA-N 474.611 5.211 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 917806230 XFKPCGXYNVYNCT-NTCAYCPXSA-N 479.580 5.222 30 20 JKED CCCCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918301697 GWLJSPSQZFCXPK-AREMUKBSSA-N 457.549 5.639 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CCc1nccs1 919987603 KHWTTWUQFXFOSC-LJQANCHMSA-N 452.561 5.297 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\COc3c(C)cccc3C2=O)cc1OC 920066627 GUUVUVRZXSLWJC-WOJGMQOQSA-N 493.943 5.342 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(-c2c(F)cccc2F)cs1 920804797 ZOQPMCYTKWHDSA-OAHLLOKOSA-N 492.473 5.595 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2c(F)cccc2F)cs1 920805332 CDBGOXLJDJBZPI-HNNXBMFYSA-N 484.915 5.991 30 20 JKED N#Cc1ccc(CN(Cn2[nH]c(-c3ccccc3Br)nc2=S)CC(F)(F)F)cc1 921188622 ASEBXSYSKOORPH-UHFFFAOYSA-N 482.329 5.264 30 20 JKED C=CCC[C@H](NC(=O)N1CCc2c(ncn2-c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 929079902 CIWLCEPMDXCQLM-NRFANRHFSA-N 454.496 5.666 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4cc(Br)ccc4[N+](=O)[O-])cc3)CCC2)C1 1786072402 SIJNSZDMBXXMBH-UHFFFAOYSA-N 498.377 5.000 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1786371341 KFHJUQOWVWUZDI-FQEVSTJZSA-N 455.558 5.087 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1 1787657503 RLAKSPAWIUHEPV-HXUWFJFHSA-N 457.615 5.026 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)cc(C#N)c4)CCC3)cc2)cc(C)n1 1788839883 RDIFJSXVTCXCGG-UHFFFAOYSA-N 452.558 5.194 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)cc2)CCC1 1789529384 GTVLMZCZJGEVRU-HKBOAZHASA-N 454.542 5.220 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CCC1 1789905380 VEUMSZGUPHAJHL-ZDUSSCGKSA-N 468.406 5.604 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)c4ccccc4n3)CCC2)cc1 1790567446 JGQVVEMOBHWYNP-IBGZPJMESA-N 458.562 5.092 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)cc2)CCC1 1790651918 ZDXHMWZLZCLBOT-HNNXBMFYSA-N 478.898 5.145 30 20 JKED Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)n1 1790745377 MVOVBZKRUFVHMD-UHFFFAOYSA-N 489.373 5.086 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnn5cccc(F)c45)cc3)CCC2)c1 1790994169 CFBTZHUIYXCDNF-SFHVURJKSA-N 481.531 5.162 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cnc5[nH]ccc5c4)cc3)CCC2)c1 1791490633 AXMGHIARTMSDGA-FQEVSTJZSA-N 491.595 5.570 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)cc2)CCC1 1791520339 MXRFZEDPPPTMOH-HSZRJFAPSA-N 481.637 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)[nH]4)CCC3)cc2)c1 1792124833 LBHORASWXUJYBV-MRXNPFEDSA-N 480.490 5.722 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(F)cc2)c1)c1ccccc1 1794763265 BSALLSVOWHOXCO-XUJYPJAKSA-N 483.587 5.270 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(F)c(C(F)(F)F)c2)C3)c1 1803682861 RAYWXIWVMHMNPE-PPRPKMEESA-N 473.470 5.037 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC2(CCCN(C(=O)c3cccnc3Cl)C2)CC1 1804659741 KAOPCAKFGMXSMG-UHFFFAOYSA-N 498.026 5.293 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1805048619 ROVQHNXRUWMJNC-FQEVSTJZSA-N 481.040 5.022 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)cc4F)C3)CC2)c1 1805069278 VJCXHUMIHFGFRA-SFHVURJKSA-N 467.972 5.265 30 20 JKED O=C(CCCC(F)(F)F)N1CCCC2(CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)C1 1806543039 CIIHKBFHZFMHGK-UHFFFAOYSA-N 482.440 5.422 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1808464510 XERHKELSEIGAIC-UKILVPOCSA-N 486.616 5.357 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1810175907 PLOZFCDBDXSLQF-AKFKNWHVSA-N 451.998 5.131 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)[C@@H]2c2cccnc2)c1 1811938941 BRPKHVAXEYWVCI-RPLLCQBOSA-N 496.611 5.072 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)N(CC)CC)[C@@H]1c1cccnc1 1812426936 VHKVMSZRXXQSAQ-KWXIBIRDSA-N 490.692 5.163 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812596142 IOUQVWNPUUDEGT-BTCOZLQPSA-N 493.957 5.215 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1813062501 YJCVDCAQBCPLKK-BWKNWUBXSA-N 466.025 5.219 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1813768581 OUGMPWMPZOFOBW-QXATTWAWSA-N 460.405 5.229 30 20 JKED Cc1cc(C)c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c(C)c1 1813785716 DARXQPSOYDKHNQ-ATIYNZHBSA-N 487.003 5.165 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c1 1813864488 VTJPOONDLNICMT-IUBQTAPSSA-N 490.966 5.135 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cn(-c4ccccc4)c4ncccc34)[nH]n2)C1 1814394227 KGEODBYTKSFFCO-DEOSSOPVSA-N 480.572 5.021 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)cc2Cl)[nH]n1 1814830171 QXUPJJUNQZYACV-SDNYCIMKSA-N 468.985 5.243 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(C(F)(F)F)CC2)n[nH]1 1815523909 BGEPEUQYKJHHKO-BZWMRVRASA-N 466.548 5.539 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593517 VFQUEJOZHJWVCD-SFHVURJKSA-N 461.900 5.062 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2F)n[nH]1 1820187151 AZZBEQQSNVACCY-OXJNMPFZSA-N 476.499 5.225 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1)c1ccc(O)cc1 1820807499 KUDLOBYEMHTMQO-ZJSXRUAMSA-N 462.594 5.051 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2)n[nH]1 1821129026 NGIQAVLGTORZLJ-FQEVSTJZSA-N 458.509 5.085 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)c1 1821275868 TYDNCOODYKOQHU-HXUWFJFHSA-N 491.523 5.394 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1821929701 YKKZHSADGMXVAA-SCLBCKFNSA-N 479.806 5.344 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1)C(F)(F)F 1821994027 PRDCQHBCSYMBMR-CQSZACIVSA-N 479.261 5.280 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)n[nH]2)C1 1822281757 LNKGPBHHKKBTTH-HXUWFJFHSA-N 473.404 5.407 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1822393361 VGWSNKNLCOFDFS-DEOSSOPVSA-N 476.527 5.464 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216833 OTONSFVCZRRQPQ-LJNLZICSSA-N 483.572 5.065 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823308956 HUKLTBZOEXVJSC-HNNXBMFYSA-N 468.772 5.226 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)cc1 1823684063 YDRFPJTZRTWHII-JYFHCDHNSA-N 489.582 5.028 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)C1 1823703173 QUYLMDUINIOOLG-QHCPKHFHSA-N 475.460 5.611 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)cc1 1823986973 KMWKKPGLVFXOLF-VWLOTQADSA-N 481.999 5.021 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1824141627 YGGGSUOJANHOKP-OAQYLSRUSA-N 451.533 5.035 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1824508573 WPXXOJIZFQRJIE-HYBUGGRVSA-N 489.616 5.252 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1824826028 YUEUVUXRSULSDV-MZWYABKVSA-N 491.582 5.539 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1824850855 RJXRXWSUDLFXLV-HTAPYJJXSA-N 468.535 5.219 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1)C(F)(F)F 1825574825 HIZKTOVRWBIIMQ-JOCHJYFZSA-N 477.502 5.173 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cncc(F)c2)CC1 1826059090 DEDKJGJHINZQOC-GDLZYMKVSA-N 495.598 5.168 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3ccccc3)n2)CC1)C(F)(F)F 1827763241 JMZHPMAWNGEJNP-HSZRJFAPSA-N 471.523 5.100 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828012387 RFGNQNIDJWHDJX-MHZLTWQESA-N 481.596 5.024 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(CC)CCC2)CC1 1828476121 WCTMZOGJKLYIHW-DHIUTWEWSA-N 489.701 5.046 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828553057 OUNJMYBBQHHRRX-HXUWFJFHSA-N 493.654 5.147 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1828886321 NCYOSGVSWHBZKC-TZIWHRDSSA-N 489.081 5.361 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 1828903293 FABUXQZFBOZGBA-FGZHOGPDSA-N 466.689 5.093 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCCC2)CC1 1828903824 HFYDQWLZMGWRSJ-RUZDIDTESA-N 458.763 5.628 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COC2CCCCC2)CC1)c1ccccc1 1829029657 DXFOSOYMRALZKF-VSGBNLITSA-N 478.677 5.153 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2onc3ccccc23)CC1)c1ccccc1 1829034613 APJWGCJYNHZZAK-IGKIAQTJSA-N 483.612 5.258 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)c1Cl 1829685947 SKCZSIVWXBWNPI-RTWAWAEBSA-N 477.983 5.270 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1830013308 XDPWKLJOAVXHFQ-XMMPIXPASA-N 483.534 5.053 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1830014865 LYSNARQYLRXEFL-HHHXNRCGSA-N 478.596 5.167 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1830159533 FDGFISRZTKHSEA-QCENPCRXSA-N 488.672 5.515 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1830348088 PJRUTFAINJBGSJ-NRFANRHFSA-N 495.447 5.045 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1830632612 SOLHPMNLFXQIRB-RUZDIDTESA-N 489.019 5.434 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1 1830718043 UFCDIODYWAZHKG-SANMLTNESA-N 459.565 5.122 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770198 OQHUPBLOKJWRBJ-SANMLTNESA-N 473.617 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)nc3ccc(F)cn23)CC1 1830895080 QDJNOIUGMWUDPV-QFIPXVFZSA-N 468.617 5.008 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)sc2c1 1830981039 ZXPNTIBKPGAPIV-RUZDIDTESA-N 485.653 5.823 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c1Cl 1830990839 LWUPBFUVYQWRIV-QHCPKHFHSA-N 475.976 5.505 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1831443617 CABMFVLCVWPGNW-GLCJEOIMSA-N 484.509 5.550 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1)C(F)(F)F 1831453305 YPOAJEDOSUODHN-IBGZPJMESA-N 467.919 5.173 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831790982 LEZCWWIQIHEBRX-XQVPNCLKSA-N 498.667 5.313 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1832028720 YHOBMUDHFXCJHW-JOCHJYFZSA-N 454.611 5.467 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c1 1832632916 YQIDAELSQKMXNW-DVECYGJZSA-N 486.641 5.470 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(C)cs2)nc2scc(-c3ccc(C)cc3)c2c1=O 8649384 IPEOOVMUIPFVHG-UHFFFAOYSA-N 468.629 5.115 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccccc1 9448112 CPGXAKISDXQCDV-CYBMUJFWSA-N 477.468 5.177 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccc(Br)c3)o2)cc1C 10347639 ONWHAOYUDZWFBE-UHFFFAOYSA-N 471.380 5.155 30 20 JKED COc1ccc(NC(=O)C2=C(C)N(c3cccc(C)c3)C(=S)N[C@H]2c2cccc(C#N)c2)cc1 10355303 ZUUVNQJRVPIFRS-VWLOTQADSA-N 468.582 5.224 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(N(C)C)cc2)cc1 11263031 CKRYLYCVRVINLC-UHFFFAOYSA-O 454.566 5.493 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1C 21603127 HNTHTRMVKWXPPW-HNNXBMFYSA-N 460.962 5.263 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(F)cc1 22033622 VCACGNLVCYFOPP-ZDUSSCGKSA-N 450.461 5.408 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)c3sc4cc(Cl)ccc4c3Cl)n2)C[C@H](C)O1 22300618 AYBFJSHBJITMBI-QWRGUYRKSA-N 456.420 5.910 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(F)c(Cl)c2)c1 22799657 TXUPYUDJJPCEQQ-UHFFFAOYSA-O 478.794 5.888 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1 23592209 VKRIOVBRPXGGJB-VGSWGCGISA-N 478.618 5.393 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)N(CCC#N)c1ccc(F)cc1 23998675 PDPXWOOOOKUKPO-QGZVFWFLSA-N 465.598 5.346 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nnc1-c1ccccc1 39221768 HFARZGGYRNCTCB-UHFFFAOYSA-N 450.589 5.564 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1 195630609 FAQVBVJMVDDHBE-UHFFFAOYSA-N 451.979 5.838 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 302945297 KZTNINPFPXPIEG-SANMLTNESA-N 496.032 5.404 30 20 JKED Cc1cc(Br)cc(Cl)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 303048025 XMOVODCYDOTOGD-UHFFFAOYSA-N 489.757 5.386 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 303341095 LOHCFDNEMBQBER-INIZCTEOSA-N 494.414 6.348 30 20 JKED C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccccc2)c1 410304356 VCGMWWVHZXRJOK-SFHVURJKSA-N 465.475 5.370 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1coc(-c2ccc(F)c(F)c2)n1 483243855 HYDJHYFOIHHBJM-UHFFFAOYSA-N 458.465 5.408 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cc1 485717752 CBTHYYBIJPJHCL-UHFFFAOYSA-N 456.926 5.476 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1C(F)(F)F 487256926 CYQFGDRNLXLEQV-UHFFFAOYSA-N 455.374 5.326 30 20 JKED CSc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1[N+](=O)[O-] 487391404 SQVMGUJAWXXSGH-UHFFFAOYSA-N 478.477 5.507 30 20 JKED C=CCN(C(=O)c1cc(Br)c2c(c1)OCCO2)c1nc(-c2ccccc2)cs1 499305650 HJZFDUAKEJVHIJ-UHFFFAOYSA-N 457.349 5.177 30 20 JKED C=CCn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1[C@@H]1COc2ccccc2O1 499348809 IUWQGZOOZMVPOW-DEOSSOPVSA-N 472.570 5.243 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC(F)F 500170215 GTKSHIDGTJROGX-LJQANCHMSA-N 471.891 5.927 30 20 JKED COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 500768485 OOALDHWKYVCJSN-UHFFFAOYSA-N 485.569 5.288 30 20 JKED CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c([N+](=O)[O-])cc1OC 502958486 TVUCVXVSQPWCDE-CYBMUJFWSA-N 457.552 5.339 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1 503031725 SHCAEGXCAHBBLB-UHFFFAOYSA-N 468.022 5.538 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1ccoc1C 503247263 KTHWKWCFVLTFKK-MRXNPFEDSA-N 493.614 5.466 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 504331394 YAUFUKAZZRFMPN-UHFFFAOYSA-N 489.626 5.100 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1 506569561 CLVZHMRNGIBBPZ-DEOSSOPVSA-N 461.587 5.375 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1C 509672240 UNADBFLASULXIB-UHFFFAOYSA-N 455.543 5.279 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 513911581 RDJHSUPSONNZIV-UHFFFAOYSA-N 488.613 5.076 30 20 JKED Cc1ccccc1-n1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1c[nH]c2ccccc12 514768688 IALULSGHEBHXTR-UHFFFAOYSA-N 478.581 5.717 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 514800446 RNACEZCPNUHVQE-SANMLTNESA-N 489.044 5.706 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)nnc1-c1ccc(Cl)cc1 514955186 IKRSWFBYZGWQNE-INIZCTEOSA-N 482.009 5.031 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)c2)c1 517114358 JWXLYVGSICBPRO-UHFFFAOYSA-N 491.555 5.007 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1cc(Br)ccc1OC(F)F 517177887 KVCISENAZIBUCX-UHFFFAOYSA-N 461.715 5.447 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 517461872 RVERZUNHNYKHGU-UHFFFAOYSA-N 472.414 5.718 30 20 JKED Cc1ccc2nc(COc3ccc(C(=O)Nc4ccccc4S[C@H](C)CC#N)cc3)cn2c1 518243640 ZEZRJVVZHZMCAI-LJQANCHMSA-N 456.571 5.868 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1 518476364 KYQPTCDOJBENCM-UHFFFAOYSA-N 472.770 5.650 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 519509192 GXNHXYGMTJMVFM-UHFFFAOYSA-N 457.452 5.813 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 520197658 KUNWDFOLDGXPFZ-OAHLLOKOSA-N 457.987 5.012 30 20 JKED COc1ccccc1C1(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CCCC1 520366891 PNXXVGJRHSAOGT-UHFFFAOYSA-N 499.636 5.539 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)c2)cc1 521497471 KOVRQPUQURIVSS-UHFFFAOYSA-N 458.495 5.170 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1 522232897 ANJQZONTZSYGPD-QHCPKHFHSA-N 467.529 5.913 30 20 JKED C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 522429291 SBVRKDXPEXKJGP-JIPXPUAJSA-N 456.565 5.245 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC(=O)N4CCCCCC4)cc3)o2)cc1 524134013 GPVYHOJTMGQYFV-UHFFFAOYSA-N 458.518 5.390 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1Cl 591137548 YLTALOMRFGVART-QFIPXVFZSA-N 474.944 5.758 30 20 JKED Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)c1 603775818 ZTJHJKPQXBFSNR-UHFFFAOYSA-N 463.563 5.620 30 20 JKED CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 604140815 AUJPKCIXWVCXTI-INIZCTEOSA-N 493.947 5.227 30 20 JKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OCc1ccc2ccccc2n1 609080764 LVJDSMUMFUIMCJ-UHFFFAOYSA-N 494.595 6.384 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)c2)cc1 609176922 AHZPXUJFQDZFTE-HHHXNRCGSA-N 475.504 5.545 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc12 609185148 PAIUXADDXXZNOQ-UHFFFAOYSA-N 474.561 5.149 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2nc3ccccc3s2)CC1 609438004 VHDIGORSYCTEKH-INIZCTEOSA-N 464.616 5.035 30 20 JKED O=C(CCCc1nc(-c2ccc(F)cc2)no1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642380289 KSYRNDROWSPXML-CHWSQXEVSA-N 467.385 5.224 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1[C@H]1COc2ccccc2O1 643092512 VOSNZGVXSMTNEF-FOIQADDNSA-N 479.537 5.327 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 670021160 OMXPYZQCZSMRCW-INIZCTEOSA-N 474.989 5.147 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)cc1 725757504 QHPRTGGYQXHJDE-UHFFFAOYSA-N 471.582 5.197 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(F)c(C)c2)cn1 726116784 KVRFDZMEGLQNCZ-HSZRJFAPSA-N 493.608 5.128 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)cc(C)c1 726399223 MXPWCGKLOGGFJC-NFBKMPQASA-N 467.635 5.306 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 726400388 ZVUFRYORMRJOSB-HSZRJFAPSA-N 493.585 5.074 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/[C@H](C)c1cccs1 726421187 LVAJXHKFUVLPAZ-XANSMEGUSA-N 473.664 5.181 30 20 JKED CCOc1ccccc1CN(CCCn1ccnc1)C(=S)Nc1ccc(C#N)c(Cl)c1 726446248 VZDICTRLJPJAHC-UHFFFAOYSA-N 453.999 5.096 30 20 JKED COc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1Cl 726571632 ZSSUEDMEORGVOQ-UHFFFAOYSA-O 457.362 5.484 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)c4c(c3)OCCCO4)SC2=S)cc1Cl 726626191 APDSOGQQQYTSTP-IUXPMGMMSA-N 463.367 5.432 30 20 JKED Cn1cc(CCCN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc3ccccc23)cn1 726735661 NIDHSAQBALULCE-RUZDIDTESA-N 497.624 5.166 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(CN(C)Cc3ccccc3)CC2)c1=S 727422967 GOVKCFFQYNEXOZ-UHFFFAOYSA-N 465.642 5.208 30 20 JKED CC(=O)N(c1nc(/C=C2/Oc3c(cccc3C(C)(C)C)C2=O)cs1)c1ccc(F)cc1F 727974321 JHXDFSKCONGABH-RGVLZGJSSA-N 454.498 6.020 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c1OC 729430014 QAVONBLFQAFHLF-HSZRJFAPSA-N 457.505 5.305 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 729887865 DNLLPCFPAKPKSU-CLOONOSVSA-N 453.542 5.438 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c1C 730444861 QGOJFQVPSWCCRI-HSZRJFAPSA-N 494.592 5.250 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 730460809 GDCHDRFZMNDZQS-SFHVURJKSA-N 493.372 5.414 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CCC2)cc1F 730461468 CQGDTSBIVCFASK-FQEVSTJZSA-N 491.972 5.009 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3ccc(C)cc3)cs1)O[C@H](C)C2 730685609 AOBHIRJTWHJNOW-JJJJLYANSA-N 458.583 5.821 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2cocn2)C1=O 730709523 UONHCURWNLNCIC-OAQYLSRUSA-N 498.992 5.114 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 730922635 WSYDSAYGCPJPPE-SFHVURJKSA-N 482.483 6.149 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2Cl)C1=O)Nc1cccc(O)c1 731308101 WWJCEXDQEUFMHO-OAQYLSRUSA-N 483.952 5.345 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cccc(C)n3)C2=O)c1 743526451 SOPQLYQLIXZTSV-HSZRJFAPSA-N 492.576 5.007 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCC(F)(F)F 750396689 DZAZBLJRGGXBBZ-AWEZNQCLSA-N 468.884 5.708 30 20 JKED COc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(C#Cc3ccccc3)cc2)cs1 792671297 VMLROLWRYHTBPC-UHFFFAOYSA-N 482.561 5.090 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)c(Cl)c1 799212247 HDKWSAOYZMHIJP-INIZCTEOSA-N 458.317 5.252 30 20 JKED C=CCc1ccc(OCC(=O)O[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1 820579398 WWCOOXULDZMNIB-GOSISDBHSA-N 475.566 5.564 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CC(F)(F)F)cc1 838068535 RNVNTRHCHNJADL-MRXNPFEDSA-N 489.878 5.010 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 855252946 UFOMHDJZOHFILP-ZCFIWIBFSA-N 481.349 5.153 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)cc1 914773147 ZSIGZEBOMJIVFK-HSZRJFAPSA-N 495.551 5.272 30 20 JKED C=CCOc1ccccc1CN(C(=S)N[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 915997531 MLPLUSRNICKIKX-FQEVSTJZSA-N 460.599 5.665 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O 916208929 AMNPDDGMZHUWGR-FQEVSTJZSA-N 469.950 5.102 30 20 JKED CCCOc1c(Br)cc(C=Nn2c(S)nnc2-c2ccccc2)cc1OCC 916544467 JYMGRPMZWZSESJ-UHFFFAOYSA-N 461.385 5.066 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 916902129 CLPUKNYSRMVXEU-QFIPXVFZSA-N 487.581 6.140 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1OC 916934904 JNBUAOXCIMHSFA-LNENJAERSA-N 466.946 5.446 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 916941330 SJTDKQJGUUFAKN-OMDKTOEGSA-N 490.787 5.747 30 20 JKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)[C@H](C#N)c1nc2ccccc2s1 917020623 JMECDMOOOIMFLU-HNNXBMFYSA-N 475.401 5.130 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc2cc(C(F)(F)F)ccc2s1 917043733 OBHJCJXPJJUXDC-PZJWPPBQSA-N 492.478 6.259 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(OC)cc2OC)cc1 917612272 NERVOZPFFITQGV-UHFFFAOYSA-O 488.633 6.090 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)S1 917623471 QKKDQSXWLAJVLZ-ZHZULCJRSA-N 474.627 5.887 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2cccc(C)n2)C1=O 917674496 TXIZKKQBCXEDIG-DEOSSOPVSA-N 488.613 5.176 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 917706979 FKZGEQQPEYDADT-ZHRRBRCNSA-N 489.988 5.328 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1cccc(C(C)C)c1 917709254 MWQWMKKLQSLRCT-HSZRJFAPSA-N 467.635 5.004 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)n2)cc1 920141028 LNLPQRPIJCSYSK-UKILVPOCSA-N 475.529 5.626 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)c1 920174881 XCTKSVQMCAYWGR-QFIPXVFZSA-N 491.569 5.064 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2cc(C)on2)C1=O 920353689 POCUOWXQXGAXCZ-QHCPKHFHSA-N 492.601 5.241 30 20 JKED C[C@H](OC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C#N)c1 920674528 ZBGHOOGHYKONSH-LSDHHAIUSA-N 469.950 5.059 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920806667 NDUUAKOKMZGCPS-INIZCTEOSA-N 482.537 5.251 30 20 JKED N#C[C@H](C(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc(-c2c(F)cccc2F)cs1 920806737 OZNPVTFIIFAQDF-GFCCVEGCSA-N 471.876 5.227 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 920868089 IFLJHHNGHQBXSY-VBKZILBWSA-N 477.989 5.030 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3(F)CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1785862518 TXOVZUNYVKPSQJ-LJQANCHMSA-N 487.616 5.072 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2)CCC1 1786056425 SXRTUOXTCRHZLD-ZRBLBEILSA-N 481.637 5.026 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)CCC2)cc1 1786102905 CGBFLWNLDOYEBZ-GGAORHGYSA-N 499.627 5.236 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1786369221 VCCNNMXCFSDQJC-MRXNPFEDSA-N 451.954 5.160 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4CCCCC4(F)F)cc3)CCC2)c(C#N)c1 1786465961 ZAYOVEWOLLMPTP-HSZRJFAPSA-N 481.543 5.069 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4CCC(CO)CC4)cc3)CCC2)cc(C(F)(F)F)c1 1786700925 SBRWMDGDWSRKMH-UHFFFAOYSA-N 499.533 5.123 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3Cl)cc2)CCC1)C(F)(F)F 1787129991 NGNSEYSGRNXMJJ-UHFFFAOYSA-N 468.907 5.158 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ncc(C)s3)cc2)CCC1)NC(=O)OC(C)(C)C 1787216301 HEMCESXVBGNYLF-HXUWFJFHSA-N 498.649 5.059 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc4c3OC(C)(C)C4)cc2)CCC1 1788497077 DRGCJYSBAYYRGB-UHFFFAOYSA-N 450.604 5.067 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C)nn3-c3ccccc3)cc2)CCC1 1788670852 XGZDTEFBXHAARU-UHFFFAOYSA-N 454.574 5.122 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)CCC1 1789108573 GDZLJYYLVUVNSY-LJQANCHMSA-N 453.608 5.022 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1789166248 RMNNUUWAUZDGFL-FQEVSTJZSA-N 495.664 5.370 30 20 JKED Cc1nc[nH]c1CSCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1789467527 YMKAEHAPGLLRPO-GOSISDBHSA-N 487.629 5.026 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC=CO4)cc3)CCC2)cc(C(F)(F)F)c1 1789504497 NCTDRRMUWBKZQO-OAQYLSRUSA-N 469.463 5.017 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1789559706 YLHJYUJNBPVHIB-SWOYFSSUSA-N 494.979 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1789625772 ZLXDDALWGJIUML-UHFFFAOYSA-N 457.574 6.082 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)COC5)CCC3)cc2)c1Cl 1790083866 OEYDFOZPIURIEB-UHFFFAOYSA-N 471.944 5.303 30 20 JKED COc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1C 1790708806 YHFSTUFEDQSSBO-UHFFFAOYSA-N 467.569 5.060 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)Cc3cc(Cl)ccc3Br)cc2)CCC1 1791199104 CXNBIMURKXNSJP-ZDUSSCGKSA-N 481.843 5.097 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791730246 URTLYEORMGXMIJ-ZJSXRUAMSA-N 495.664 5.398 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H](O)c4ccccc4Cl)cc3)CCC2)c1 1791748712 WHOXCSNFKFQRGB-XMMPIXPASA-N 473.960 5.001 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c2ccccc12 1797984420 YUKCAMYOGOSMRV-ZJPYXAASSA-N 455.396 5.066 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3nc(-c4ccccc4)ccc13)C2 1798333883 IRFYKYWDJDERME-KAOXLYBCSA-N 468.601 5.250 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Sc1cccs1)C2)c1ccccc1 1798554750 WZPOOFCBODIVHM-DODNOZFWSA-N 466.672 5.064 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1OCc1ccccc1 1799340077 VLHDCTHWOVMDAZ-PSWRPDDJSA-N 467.009 5.383 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1802500549 AKXMYORABMIVLV-AMGIVPHBSA-N 490.623 5.333 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1F 1804138564 BQFSYGOCWMLFRI-JMGPTOKJSA-N 494.451 5.465 30 20 JKED C[C@H](C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1)c1ccc(Cl)cc1 1804752960 NLMPVRKKCDYLRW-NRFANRHFSA-N 478.036 5.179 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1808162188 WTPHPJHCJIXLAC-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1808743225 NEMFAKWRGZWCCM-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cc4cc(-c5ccccc5)ccn4n3)C2)CC1 1810451649 HPAYQLHHCSCRCN-UHFFFAOYSA-N 482.628 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1810758358 CPFCAKPBNBNBAZ-IFMALSPDSA-N 489.538 5.292 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2OCc2ccccc2)[C@H]1c1cccnc1 1811439325 WKHFBQFEBGXQJH-ATIYNZHBSA-N 490.003 5.210 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2Cl)N(C)C)[C@H]1c1cccnc1 1812429493 OOUBFPCKICLAEK-SDUSCBPUSA-N 497.083 5.036 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1812697253 PEKPFTUCLVJRTI-VNZMSGEBSA-N 467.013 5.143 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3sccc3Cl)[C@@H]2c2cccnc2)c1 1813866427 RFSAJPGDTRGFQC-BSLALVQMSA-N 479.005 5.057 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccnc1 1813896519 CJJPKZLKPKWVDX-OFNKIYASSA-N 470.013 5.056 30 20 JKED Cc1ccc(F)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814579029 GNWJSDHKAHXBTD-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C(F)(F)F)cn2)n[nH]1 1815906578 TUUBRKDEIKNOAF-CTNGQTDRSA-N 489.542 5.217 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)oc2C(F)(F)F)n[nH]1 1816469080 LWPKRMUYALLSHZ-YJBOKZPZSA-N 464.488 5.404 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cc(F)cc(F)c2)n[nH]1 1817766200 QGVXLBKAFPYANA-HSZRJFAPSA-N 491.542 5.249 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818214259 CHLLKDJMFSGZGS-KRWDZBQOSA-N 487.473 5.328 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)cc1 1821039295 ZVFKWGIMEWNKBK-JOCHJYFZSA-N 479.943 5.013 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821087708 IFZFBRYBMLSDFA-FUHWJXTLSA-N 488.963 5.342 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)c(F)c(OC)c2F)n[nH]1 1821266859 OPXVIZYROXPTBO-QGZVFWFLSA-N 490.551 5.003 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1)c1ccccc1 1821310719 MHSDRMOJFCELET-OPAMFIHVSA-N 495.505 5.410 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc4ccc(Cl)cc4c3)n[nH]2)cc1 1821426158 YDDYAEKTKVUABZ-DEOSSOPVSA-N 498.974 5.032 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(Br)ccc2F)[nH]n1 1821918270 IKZMRJCIJCLTQO-FOIQADDNSA-N 491.405 5.148 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCc3ccnc(-c4cc(C)ccn4)c3)n[nH]2)C1 1822639887 UDTPEGWAQRXMQI-SANMLTNESA-N 498.631 5.156 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)[nH]n2)c1 1823214741 JSHIXXKLKVQQNV-BYOINPFDSA-N 497.624 5.231 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216355 SIIFVYFMKQKUFE-WAIKUNEKSA-N 491.979 5.318 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cnc2C)CC1 1823750404 IVIBOFZRNGFRRG-JOCHJYFZSA-N 490.486 5.378 30 20 JKED CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCCC1 1823847223 BQDCMSRQBLWDSW-QFIPXVFZSA-N 475.555 5.391 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCC2)CC1)NC(=O)OC(C)(C)C 1823848384 GZZLPIYYVCXDSD-DHIUTWEWSA-N 489.701 5.046 30 20 JKED Cc1ccccc1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824055181 UKZAUWNKQWUSBJ-MUUNZHRXSA-N 471.645 5.052 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1824145218 DCXKUJANTJQUGG-RUZDIDTESA-N 486.056 5.300 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 1824145455 HZQMVVBEUIPLTI-MHZLTWQESA-N 464.650 5.477 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Sc2ccccc2)CC1 1824389357 LTPOZSBXXKMCFC-FTBPSBKWSA-N 454.680 5.555 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 1826325283 WIKUNVBVEGOANX-QHCPKHFHSA-N 456.030 5.075 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3cc(F)cc(F)c3)CC2)C1 1827353337 SICKUGIVNJOXIV-RUZDIDTESA-N 479.571 5.226 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1)c1cccs1 1827681001 BJSLVDPBORXHOB-DJJNJRNKSA-N 494.632 5.050 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c1 1827775999 HCSFAQOBWASYDB-QFIPXVFZSA-N 487.522 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)CC1 1827908741 AUGBGPXOOPGJKB-DENIHFKCSA-N 465.560 5.046 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828508277 CQLDQHCINDCPRQ-YADHBBJMSA-N 495.611 5.374 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1828519451 USSPCGSRQRWBBX-SANMLTNESA-N 472.564 5.034 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1828903449 BKKFXWMFFZYNKO-JOCHJYFZSA-N 485.770 5.305 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccco2)CC1)c1ccccc1 1829031296 XREUKGSLHHUASF-RRPNLBNLSA-N 460.618 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)nc2F)CC1 1829065765 AQHDWLPVMRYDTD-LJQANCHMSA-N 494.449 5.209 30 20 JKED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2CSc2ccccc2)CC1 1829709039 ROKJIQVHALLYSH-DEOSSOPVSA-N 482.596 5.124 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c(C#N)c1 1830288491 LFHGKFXDJJBFNV-NDEPHWFRSA-N 487.644 5.166 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Br)c(Cl)cc3F)CC2)C1 1830686159 IQDKRWFYKPKURI-NRFANRHFSA-N 497.836 5.441 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1831375718 DBQINCMHNCKCPX-HOYKHHGWSA-N 454.014 5.334 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1)C(F)(F)F 1831451057 LTJXWUOUOYDCAR-LJQANCHMSA-N 477.552 5.162 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1)C(F)(F)F 1831452780 BVOWBFHXVFKRSN-GOSISDBHSA-N 480.424 5.196 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2F)CC1)c1ccc(O)cc1 1831925723 JILYSRPJLXATKT-GJZUVCINSA-N 494.582 5.101 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1832028755 ZZWIOOFPJALMOZ-QHCPKHFHSA-N 451.636 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1832629415 PNVXWCYYDLQXAW-SIBVEZHUSA-N 496.026 5.582 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CC1 1835817094 RPFZCPVIVMHPQN-UHFFFAOYSA-N 498.470 5.310 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccoc4s3)CC2)CC1 1838026562 ROKLTBFIHZJRCV-UHFFFAOYSA-N 458.624 5.099 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3OC(C)(C)CC4)CC2)CC1 1838055195 CWVRJLSBAZPJOJ-VWLOTQADSA-N 494.676 5.171 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(OCC(F)(F)F)cc1Cl 1847264327 LNTUFZHQJSKYBN-OALUTQOASA-N 472.935 5.089 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc(Cc2ccccc2)cc1 10118355 FBMCEXQISQFTTC-UHFFFAOYSA-O 487.670 6.303 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 10172595 YUDSHSUZDDUKLY-UHFFFAOYSA-O 487.595 6.511 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172775 OQGPVSGEALVTFO-UHFFFAOYSA-O 463.476 5.467 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)ccc1Cl 10601051 RYTLRBLKUCUMKA-UHFFFAOYSA-N 460.390 5.230 30 20 JKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nc2sc(C)c(C)c2c1=O 10658457 XSJXYNIQRGNWET-CYBMUJFWSA-N 457.650 5.318 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1cccc2ccccc12 11127275 HAOFTUZUDVPQJL-UHFFFAOYSA-O 453.631 6.864 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2F)c1 14494491 FQJVJHWMXJBACD-UHFFFAOYSA-N 479.360 5.766 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc2c(c1)CCCC2 14871730 USPMETCVSIUFNM-UHFFFAOYSA-O 484.472 6.773 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)cc1OC 20882651 LNHKCXDJJTUFFE-QGZVFWFLSA-N 491.617 5.458 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 22003209 GBSLTWYZQKQAAQ-UHFFFAOYSA-N 481.647 5.516 30 20 JKED Cc1ccc(-c2cc(/C(O)=N/c3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)c3ccccc3n2)o1 22297219 PJEOZSKYZHSHBL-IRXDYDNUSA-N 462.575 5.505 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccc3c(c2)CCCC3)s1 22730166 JQKURCWWZZTFSN-UHFFFAOYSA-O 499.681 7.066 30 20 JKED C[C@@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2 23197066 GVEYEZQJQLVCBM-CRRKTRLDSA-N 466.559 5.420 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccc(F)cc1 24015003 DXJUEMOBSFADSM-GOSISDBHSA-N 490.604 5.571 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28649266 DIFCNZAANAPFBT-UHFFFAOYSA-O 475.634 5.674 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3cccs3)n2C2CC2)sc2c1CCCC2 45699033 RFGGHDQVAWEZFL-UHFFFAOYSA-N 455.634 5.274 30 20 JKED COc1ccc(CN2C(=O)/C(=C/c3cccc(OCCCC#N)c3)c3ccccc3C2=O)cc1 110419864 AUTLVRDQAOOHHA-NLRVBDNBSA-N 452.510 5.101 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)cc12 195556714 MYKDIZHUPJFEGS-QGZVFWFLSA-N 499.427 5.569 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccccc2Br)cc1 195634209 IILTYLDBALWJOO-UHFFFAOYSA-N 479.374 5.189 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 215787512 XKWXOMOQOAFBDC-UHFFFAOYSA-N 465.381 5.328 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cs1 302966058 RCZOYSDQLZFFDN-UHFFFAOYSA-N 472.595 6.364 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 477065132 BEWRZYMDAKDVCG-UHFFFAOYSA-N 450.395 5.077 30 20 JKED CCC(=O)c1ccc(OCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487355979 PPJCKLDTRZALLV-UHFFFAOYSA-N 473.476 5.235 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 490695469 RCASNKODAFPHKQ-UHFFFAOYSA-N 474.630 5.427 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)CC1 502492359 CBFINUYQRLZRQK-UHFFFAOYSA-N 496.502 5.344 30 20 JKED CCOc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)c(OCC)cc1NC(=O)c1ccccc1 502765755 FLKDLHYCLGQRIL-SFHVURJKSA-N 473.529 5.014 30 20 JKED Cc1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1ccccc1C(C)C 506872679 MYFMLAMVRSHQNJ-INIZCTEOSA-N 463.513 5.591 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 508130273 GDMZDNRGRAPQIJ-UHFFFAOYSA-N 470.356 6.023 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 508284535 FPUQDZCVYVHBTJ-UHFFFAOYSA-N 498.583 5.058 30 20 JKED COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c1 510236956 BSARRIVPGFGLCG-UHFFFAOYSA-N 499.567 5.167 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccnc(OCc4ccccc4)c3)c2)c1 511479904 VUUYCSMXTBEOOZ-UHFFFAOYSA-N 477.524 5.106 30 20 JKED CC(=O)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C(F)(F)F)c1 512300174 PWAAWRYWWCNDDI-UHFFFAOYSA-N 453.420 5.367 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)c1nc2ccccc2s1 513672714 UEFPNABWIIGCMT-QGZVFWFLSA-N 477.471 5.782 30 20 JKED Cc1nc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)sc1SCC#N 514577758 TZBMOHRCWYKCLW-UHFFFAOYSA-N 461.366 5.269 30 20 JKED Cc1sc2nc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)n(C(C)C)c(=O)c2c1C 514955442 BAAVPOAIOHBWHJ-INIZCTEOSA-N 472.611 5.222 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)N1CCCc2ccccc21)C(C)C 514985934 OQUWEARPASJONQ-DEOSSOPVSA-N 480.609 5.278 30 20 JKED CCCc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)[nH]c(C)c1C(C)=O 515699810 QKGSCLKJOJCSIW-UHFFFAOYSA-N 474.508 5.668 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 517429996 HSZXHMLPKGLEFW-UHFFFAOYSA-N 484.987 6.099 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 517520384 BRCJQHCJTYBXDA-INIZCTEOSA-N 486.018 5.787 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 517832950 JNEUPDRVZFQILS-UHFFFAOYSA-N 472.303 5.394 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1nc(-c2ccncc2)cs1 517891273 RXGNJVQUQCGJRS-GOSISDBHSA-N 471.929 5.794 30 20 JKED Cc1nc2ccccc2n1CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 517906375 NVXNXBXNOHCZJL-UHFFFAOYSA-N 459.937 5.271 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c2ccc(F)cc2Cl)cc1 518152190 ZMBYDVXJNPGBED-DEOSSOPVSA-N 479.939 5.314 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)cc1 520654391 JZJLMILMKNFXDT-UHFFFAOYSA-N 460.530 6.032 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1SC[C@@H](C)C#N 521746557 KUFIWVFUEVEHSW-AWEZNQCLSA-N 450.377 5.894 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)cc1 523841548 JTCMIRYLEQZSKJ-FDJWOJMMSA-N 496.611 5.559 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCC3(c4cccc(C(F)(F)F)c4)CCOCC3)o2)cc1 524379787 YOOVJBGJHWJCAD-UHFFFAOYSA-N 484.474 5.227 30 20 JKED N#CCCn1cc(C(=O)CN2C(=O)[C@H](c3cccs3)N(Cc3ccccc3)C2=O)c2ccccc21 590414478 QLFGMVUVPQLYBW-VWLOTQADSA-N 482.565 5.005 30 20 JKED C=CCN(C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 596344630 BJNUHFGGRBIIDS-AWEZNQCLSA-N 480.878 5.038 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 603601131 QWHNHYKICGPABQ-AWEZNQCLSA-N 486.753 5.876 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)cn2)c1 603626886 IJGGTSDJIHJUJT-UHFFFAOYSA-N 474.929 5.965 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c1 604175708 ZOTMXSVYBGXWKG-UHFFFAOYSA-N 475.979 5.137 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(OCC(F)(F)F)cc1 604430403 PYVBZQDLXNVUIG-HNNXBMFYSA-N 456.424 5.569 30 20 JKED C[C@H]1CCc2c(sc3nc(SC[C@@H](C#N)CCC#N)n(-c4ccccc4F)c(=O)c23)C1 608854581 OBRRVADOPVXZEH-LSDHHAIUSA-N 452.580 5.247 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1cccc(C(F)(F)F)c1 608865418 MGMYQJVYECOQNM-KRWDZBQOSA-N 487.400 5.114 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc(Cl)s3)s2)c(C(F)(F)F)c1 608928431 RKSNBXLYGIXURS-UHFFFAOYSA-N 463.915 5.140 30 20 JKED N#C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1ccc(OCc2ccccc2)cc1 609028516 ATSWVWBWVDIZSW-NRFANRHFSA-N 455.739 5.676 30 20 JKED CCc1c(C)sc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1C#N 609032618 VIXOABDTHVTTFL-UHFFFAOYSA-N 472.414 5.966 30 20 JKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609060401 CUGGRHOEZFWBCY-SFHVURJKSA-N 460.555 5.352 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 609079532 CBURBAHHUBPNDE-DEOSSOPVSA-N 471.948 5.435 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)n2)cc1 611957613 IDUHEBVZLLHGKM-UHFFFAOYSA-N 466.975 5.552 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)cc1OC 613404604 OWLYMOWKLQIRFM-ZDUSSCGKSA-N 489.500 5.946 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(CC)cc2)c2cccs2)nnc1-c1ccncc1 613905221 GXSTYTOJCGFKLS-HSZRJFAPSA-N 475.643 5.148 30 20 JKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 616409348 JYWSPWOVNKSGEH-STQMWFEESA-N 492.391 5.582 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nc2cc(Cl)ccc2c1=O 637777153 MCLGOCPYBABWPU-OAQYLSRUSA-N 469.994 5.194 30 20 JKED C=CCn1c(S[C@@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccc(F)cc1 639430449 JNMYBLZMRAQPGK-RBBKRZOGSA-N 466.582 5.027 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1nc(-c2ccc(Cl)cc2)cs1 642281960 XACLBYIMCOCFFY-IBGZPJMESA-N 474.973 5.390 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(OC)ccc1OC 726397523 OTXOKLNGFVABEK-QFIPXVFZSA-N 469.607 5.081 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414667 DDCVPNQGUHASGF-RDPSFJRHSA-N 497.661 5.476 30 20 JKED COc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)cc1Cl 726571353 UVWBXODKHUEMRP-UHFFFAOYSA-O 471.389 5.793 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)c(Cl)c1 726891367 NQEVUHIMRZOSQJ-JOCHJYFZSA-N 477.973 5.095 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)c(Cl)c1 726892957 XHPOEXGKMIIGTD-JOCHJYFZSA-N 498.004 5.109 30 20 JKED Cc1ccccc1-c1nc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 727560784 GCGUYCXGAAFOHI-HNNXBMFYSA-N 465.600 5.505 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727626647 DZKXCFFTPHMMEU-FQEVSTJZSA-N 454.555 5.013 30 20 JKED N#CCOc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1 727844961 WYIYLSNRIGWNLA-QFIPXVFZSA-N 468.326 5.079 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1 728412231 SGWLBLMSNUGFCZ-CJFMBICVSA-N 454.570 5.517 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N 728778598 DJZXJEFAIWZXRN-FQEVSTJZSA-N 470.982 5.003 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CCCCC#N 728780673 WOWSIGXBMPBCGE-HSZRJFAPSA-N 462.619 5.520 30 20 JKED C#Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1 728801368 SZHBASWNLUCEEW-MRXNPFEDSA-N 458.370 5.319 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)nn1-c1c(Cl)cccc1Cl 729069445 KNCMRFZVWDWBBF-LBPRGKRZSA-N 476.751 5.312 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3scnc3C)C2=O)c1 729142307 KAPUDIWVEVJRQP-NRFANRHFSA-N 494.642 5.237 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ncccc3C)C2=O)c1 729634242 JTTLTWLNLKGDMU-XMMPIXPASA-N 488.613 5.176 30 20 JKED O=[N+]([O-])c1cc(C=Nn2c(S)nnc2-c2ccc(F)cc2)ccc1Oc1ccc(F)cc1 730549537 MXHXGMFIUCLSDZ-UHFFFAOYSA-N 453.430 5.095 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C2SCCS2)cc1 731061282 RCNYMWBKSFLHPW-HNNXBMFYSA-N 458.630 5.355 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(C)C)c1 731313564 ZODFBZOXTJNSOQ-QHCPKHFHSA-N 492.601 5.281 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)CCC4)C2=O)cc1OCCCC#N 747473161 VUSCZJPQSJNWRR-HYARGMPZSA-N 450.585 5.272 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2cscn2)C1=O 747604209 ZFAKJPBPUFMKDI-QFIPXVFZSA-N 494.642 5.436 30 20 JKED N#Cc1cccc(C(=O)OCC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)c1 748576976 JSJKYNVDIVYTRW-UHFFFAOYSA-N 471.513 5.211 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)Cc1ccc(C#N)cc1 750392054 KLOQIHCYTYMFPE-UHFFFAOYSA-N 450.494 5.429 30 20 JKED CCOc1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1OC(F)F 750895407 GNSQRCZPGKQWNV-VOTSOKGWSA-N 487.293 5.371 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1OC 759414373 XQDJAFWWBSBXPY-ZRDIBKRKSA-N 463.361 5.067 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)s1 828487713 JRPIWADYTJSYSZ-INIZCTEOSA-N 473.558 5.105 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N([C@H](C)CCc2ccco2)C1=O 837381498 LCKPPNJOLMSDSB-DVECYGJZSA-N 491.613 5.578 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 838310105 BRTTZOCYHVWUMZ-NLFFAJNJSA-N 486.641 5.982 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 914516431 OEQSJBCFHMGBKM-UHFFFAOYSA-N 481.552 5.079 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2cccc(F)c2)C1=O 914772990 UORDZHWNGAXMCY-QHCPKHFHSA-N 477.561 5.303 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)CC1 914957416 VBXXDDSQEQMYGS-UHFFFAOYSA-N 496.523 5.018 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 915085505 MWPPJRWXXWDFKB-BIAHXVBSSA-N 472.508 5.225 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 915087018 ZHOBQNDNGMAQEW-URXFXBBRSA-N 489.522 5.434 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 915823708 LBZXVDWPTUWMDZ-UHFFFAOYSA-N 470.323 5.476 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c1C 916207510 FRPOEOCLWDIECQ-NRFANRHFSA-N 451.523 5.196 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)c1 916209575 NWVFDIGNONFHRY-FQEVSTJZSA-N 469.950 5.102 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)cc1 916847077 KYXXPVNLVNLBTK-QGZVFWFLSA-N 458.543 5.048 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1 916913770 RRTBAJNKUFXNLT-HXUWFJFHSA-N 458.905 5.309 30 20 JKED CC(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2cnn(C(C)C)c2n1 916926992 BWDLCMNJMFOGQH-HNNXBMFYSA-N 458.349 5.404 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cn2c(SC(F)F)nc3ccccc32)cc1 916953317 BLWFSQIKAVCIFC-WMLDXEAASA-N 456.518 5.212 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nncn3-c3ccc(C(C)C)cc3)n2)cc1 916972222 LALNTANSZHXFSO-NRFANRHFSA-N 473.627 5.791 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)n2)cc1 916974822 RTEPJSQYBPMGOA-DLBZAZTESA-N 480.387 5.110 30 20 JKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996423 MFEZIDAVAIHGRL-BDJLRTHQSA-N 478.382 6.382 30 20 JKED N#C[C@H](C(=O)Cc1csc(Cc2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996589 MYPJBWYZYGWMJD-GOSISDBHSA-N 484.433 6.583 30 20 JKED N#C[C@@H](C(=O)C[C@H]1Oc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996652 NGPLPENAWMAOTL-ORAYPTAESA-N 458.326 5.083 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)c1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997886 ZQMPUHGOEDKMKV-OAHLLOKOSA-N 464.399 5.565 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 917042234 DVFBBAVTNTXNDR-AVRDEDQJSA-N 496.311 6.190 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047263 VAGXWWCAHXIZGW-YGRLFVJLSA-N 451.798 6.069 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cnn(-c3ccc(Br)cc3)c2)cc1 917144696 CSVPSYIQQJGBDF-KGVSQERTSA-N 453.340 5.061 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cs1 917562720 IVGDSDWDMCKSQG-VKAVYKQESA-N 468.578 6.611 30 20 JKED CCOc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)cc1 917612076 FONBOKOXUKSWHH-UHFFFAOYSA-O 492.624 6.159 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2Cl)n1 917680113 CMGBPRWKGITZSH-NRFANRHFSA-N 464.978 5.204 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2ccccc2C#N)c1 920109038 MVPIOJYMQDOUSR-OAQYLSRUSA-N 473.916 5.069 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 920139825 YYWCIKFPEGNGCQ-MJGOQNOKSA-N 478.549 5.078 30 20 JKED N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 920805189 ATUNZQGQVYUEIJ-CYBMUJFWSA-N 454.445 6.076 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(N2CCOC2=O)cc1 920977875 PZBVFDJPBDCDNH-IBGZPJMESA-N 470.529 5.171 30 20 JKED CSc1nc(O)c(C(=O)Nc2nc(-c3ccc4c(c3)Cc3ccccc3-4)cs2)cc1C#N 1516534833 SCFNNLCLPMNDFB-UHFFFAOYSA-N 456.552 5.328 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc(Br)c4F)CCC3)cc2)C1 1785808162 VDCRYWJCLSEDCJ-UHFFFAOYSA-N 457.343 5.302 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4S)cc3)CCC2)c1 1785845691 GXKNFBGMKVJGJP-KRWDZBQOSA-N 456.571 5.059 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1786104439 SYWSOVRLZJKFDM-KPURRNSFSA-N 493.648 5.288 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)s1 1787057254 BNTGYLNONVTSJD-UHFFFAOYSA-N 459.571 5.009 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5n[nH]cc5c4)cc3)CCC2)c1Cl 1788436935 QSTBGEXNMLGNJS-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)cc2)CCC1 1788724368 DKPNMSPMMSLICF-UHFFFAOYSA-N 491.554 5.818 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3csc4c3CCCC4)cc2)CCC1 1789267314 BQZNVDVKIPEJGG-KRWDZBQOSA-N 453.608 5.176 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ncsc45)cc3)CCC2)cc1 1789342511 VKUNDROWXJYQSI-UHFFFAOYSA-N 466.566 5.158 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)cc(Cl)c4n3)cc2)CCC1 1789370625 DVYQNWKGGPAAJV-UHFFFAOYSA-N 489.885 5.058 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CCCCn3cccc3)cc2)CCC1 1789604237 JFDFRUWHUYCCIY-BUHFOSPRSA-N 475.614 5.293 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)ccc4F)CCC3)cc2)c1Cl 1790082544 FSZMRVQZGWIVPX-UHFFFAOYSA-N 463.896 5.118 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)OCc4ccccc4)[C@@H]3C)cc2)CCC1 1790482813 UWIYRUOWSZSRJJ-PXDATVDWSA-N 489.616 5.134 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)CCC2)cc1 1790568525 TYZILNUGTVCVOT-QGZVFWFLSA-N 492.542 5.636 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)[C@@]5(F)CCCCC5(F)F)CCC4)cc3)c2c1 1790835232 YXUDPZUCDBSNRN-VWLOTQADSA-N 495.505 5.100 30 20 JKED COc1cc2c(O)cccc2cc1C(=O)Nc1ccc(C2(NC(=O)[C@H](C)ON=C(C)C)CCC2)cc1 1790930063 RDHMFIBZDBKDGB-SFHVURJKSA-N 489.572 5.103 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Br)ccc4c3)CCC2)cc1 1791578651 JMFMRRQZEXFPJW-AWEZNQCLSA-N 484.419 5.063 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3=CCC=CC3)CCC2)cc1 1791583464 BYBJEKUGAXOJRF-RUZDIDTESA-N 491.632 5.094 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc2)CCC1 1792326047 FWDJKJCWSCYMTM-UHFFFAOYSA-N 469.626 5.194 30 20 JKED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1-c1ccc2ccccc2c1 1796047638 MOEMTNNGUYQVJY-UFOJEMMLSA-N 497.639 5.097 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C)C2 1798590839 QQBLQXFWJKUHPV-JTOYRKQZSA-N 497.680 5.191 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(C#N)c3)c2c1 1799601342 JQVWUHIXGVXXLL-KOUNCHBCSA-N 485.584 5.077 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1F)c1ccc(C(F)(F)F)cc1 1800412911 KYQKDHXCZYZGCN-MUJYYYPQSA-N 488.403 5.429 30 20 JKED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3cccc(Br)c3)cc2)CCC1 1800837323 RNANABUGOFFKJB-NUNAXRQHSA-N 492.417 5.062 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)s2)[C@@H]1c1cccnc1 1802492277 PRRHYJPNOBOSAB-XUZZJYLKSA-N 453.652 5.083 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(C)c3[nH]2)[C@@H]1c1cccnc1 1802496486 IYPYQNXBVMIWGJ-RCZVLFRGSA-N 458.606 5.183 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1803089333 OCKFACXVMULSOU-AZGAKELHSA-N 453.671 5.852 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(Cl)cccc2Cl)C3)cc1C#N 1803842560 HLCIKMRKXKUORG-REPLKXPHSA-N 486.399 5.218 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1804176776 YRCSUZIZMNEDOP-CUNXSJBXSA-N 487.625 5.113 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(Cl)ccc4F)C3)CC2)c1 1805139933 NZPKIKHBRWYPTM-SFHVURJKSA-N 467.972 5.265 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)C1 1805456191 FQEACVXWBZHGIL-UHFFFAOYSA-N 450.410 5.002 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3sc4ccccc4c3Cl)CC2)C1 1806065987 GRBVZUFIQBZKNC-LJQANCHMSA-N 465.084 5.354 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)C2)CC1 1807659462 CDANWCMEKXAIMX-GOSISDBHSA-N 485.550 5.223 30 20 JKED CC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1)c1ccccc1 1809015886 GZNZZIMORYNAQT-XMMPIXPASA-N 497.561 5.616 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)[C@@H]1c1cccnc1 1809694274 LNMFMTOXAFOCEU-CYFREDJKSA-N 462.569 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1810173199 GLONCIQSQDWHII-TXTKFYIRSA-N 471.523 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1810173861 BSTUFPUSKPUICK-INWJIATQSA-N 463.647 5.037 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)C2)CC1 1810303848 SERNAUDOZCHFFC-NRFANRHFSA-N 496.648 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)[C@H]1c1cccnc1 1810503232 OXJPCFAAHZCCSU-NLFFAJNJSA-N 492.570 5.220 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)cn3ccccc23)[C@H]1c1cccnc1 1811341965 FQMYFHAMTVOAIX-NKQQYQHASA-N 492.623 5.533 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1811705144 RSSSZICBTDOZGE-BWKNWUBXSA-N 482.100 5.106 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811732889 GSXKEQBSTJRWFP-CYFREDJKSA-N 493.394 5.202 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1C 1811872317 TWTGIMZXKFHEIL-XNMGPUDCSA-N 475.709 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cncc2Cl)n[nH]1 1814365581 YSUOUQSYMNSLSS-QGZVFWFLSA-N 464.397 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814371781 DLHRIIFRBPYYNW-XMSQKQJNSA-N 465.985 5.619 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)n[nH]1 1814719573 DRSKTKBRQFKNLA-BESBDSHLSA-N 450.558 5.113 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)ccc2s1 1814738413 BXLVYNJEKYZYEV-QHCPKHFHSA-N 498.612 5.138 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)[nH]c12 1814738432 CUBZHAQBSUDYBK-DEOSSOPVSA-N 480.572 5.010 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)[nH]n1 1814828852 KONVALIXIKKDRQ-QFIPXVFZSA-N 467.520 5.244 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)[nH]n1 1814829911 ZBQNRMWXHJXDRK-JOCHJYFZSA-N 462.594 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3cc(OC)ccc23)n[nH]1 1814917697 YPCIRHOYANMSTJ-HSZRJFAPSA-N 477.609 5.127 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)[nH]n3)c[nH]2)cc1 1816102542 YIHYSNJDFWEPOQ-VWLOTQADSA-N 478.556 5.205 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(OC)cc3[nH]2)n[nH]1 1818581648 QOKGSJOSZLFNTP-QFIPXVFZSA-N 463.582 5.198 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1c[nH]c3cc(OC)ccc13)CC2 1819599307 CQQUTLPVDUWAGA-HSBQTJJHSA-N 490.629 5.027 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cnc2OCC)n[nH]1 1819877962 WJIRPWQQTGGKEQ-IBGZPJMESA-N 474.005 5.155 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)c2[nH]1 1820219305 NYJHWRFIRVYEEL-OAQYLSRUSA-N 486.963 5.344 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)[nH]n1 1821921666 WFBFLLXFMIYPCZ-ZHRRBRCNSA-N 479.531 5.268 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1821987398 SUNOOOXNKIBDQA-LJQANCHMSA-N 493.514 5.668 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1821987510 APKIQXDPEWVBTA-QFIPXVFZSA-N 481.547 5.335 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1 1822279507 XGYUNOWNNWKIEL-QHCPKHFHSA-N 484.666 5.017 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1)c1ccc(O)cc1 1822710431 ZXWIYNRCWBHBHG-JXHRLWIKSA-N 490.629 5.170 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1)c1ccc(O)cc1 1822710436 ZXWIYNRCWBHBHG-RFWXGWTQSA-N 490.629 5.170 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C)c2Cl)n[nH]1 1823142127 YCWMULDRDQCLAD-RDTXWAMCSA-N 480.396 5.132 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)nc3)[nH]n2)c1 1823210629 DZOXNFYKDMQPCX-YWZLYKJASA-N 496.493 5.070 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216609 XKZSHZYQJRNICU-UZUQRXQVSA-N 475.980 5.618 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)C1 1823703037 LNMNOQAROFYRPG-DEOSSOPVSA-N 455.042 5.348 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1823755425 WXGWDEIAQQBEOX-QHCPKHFHSA-N 491.717 5.246 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1824143276 KKFBICLWWYDYFE-HSZRJFAPSA-N 483.056 5.298 30 20 JKED C=CC[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824226083 LXERZDUZSMSMAL-WBVHZDCISA-N 474.586 5.322 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)cc2n1 1827277645 GMUUZCDVOUKGLT-JOCHJYFZSA-N 490.991 5.208 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn3c(Cl)cccc3n2)CC1 1828083952 XWUMECGSENBYQK-NRFANRHFSA-N 471.045 5.213 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1828829612 KKAOUVKDPBQUDD-IARZGTGTSA-N 477.693 5.039 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)[nH]c12 1828906252 BVBSKQFQXZPWPS-SANMLTNESA-N 491.752 5.761 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829409218 JQVBTIUAJZIDKG-TZIWHRDSSA-N 497.989 5.756 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cncc(C(F)(F)F)c3)CC2)c1 1829418867 DFSWQRRBUGCUSF-HOYKHHGWSA-N 498.549 5.275 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3oc4ccccc4c3C)CC2)c1 1829679234 MHUMSXKAIJQVJX-RUZDIDTESA-N 485.584 5.169 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc4c3CCCC4)CC2)c1 1829679688 YIPGSWZSRFHRRK-RUZDIDTESA-N 491.657 5.054 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830055288 SEDBSGLDWQQBSF-UQBPGWFLSA-N 497.561 5.880 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c1 1830169215 IGPCAXSKQFLAHU-MHZLTWQESA-N 474.649 5.095 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1830413459 BFGPSMGQMSRPMA-PGRDOPGGSA-N 498.590 5.122 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(F)(F)F)cc2)CC1 1830500152 XBHAGJNOFNJXLI-QFIPXVFZSA-N 464.528 5.012 30 20 JKED COc1cc(C)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723442 IXSFWJAOEHSUAN-DEOSSOPVSA-N 480.008 5.076 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c(F)c1 1830773251 KQNYLEZRHWZTDC-SANMLTNESA-N 477.580 5.032 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@H](C)c3ccccc3)CC2)c1 1831509241 KQKJXOQDCCNASI-CUNXSJBXSA-N 457.618 5.294 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831926864 BLRDYJPTZNLLLS-ZJRZZCDQSA-N 498.667 5.313 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832629591 UQMAJALNEYIJNE-FQRUVTKNSA-N 461.581 5.308 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)c1 1832631627 GGWFYKKJKRTBRG-CCLHPLFOSA-N 496.611 5.115 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832635519 IFELPEFGNKKKFG-MZNJEOGPSA-N 499.989 5.792 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)CC1 1832666129 SXKSZWFVUZBPCG-UNMCSNQZSA-N 459.030 5.350 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)cc1 1832986396 VVYKCKSQJRTDSR-NMOPKGMDSA-N 495.667 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)CC1 1837634407 GRTLFRSERNMFPA-RUZDIDTESA-N 454.655 5.171 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)CC1 1837711698 KZLZXNILEWWVRE-HSZRJFAPSA-N 492.582 5.015 30 20 JKED CC(C)[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(C#N)c2Cl)C1)c1ccc(Cl)cc1 1844736155 VHWNZZLPHQMTIZ-OAQYLSRUSA-N 470.400 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(Br)ccc2Br)C1 1845326006 KOUOTQWSVPESPG-UHFFFAOYSA-N 498.259 5.021 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174145 DBWUTSRMLUMHTK-UHFFFAOYSA-O 490.571 5.831 30 20 JKED C[C@@H](Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1)C(=O)Nc1ccccc1C#N 10539610 XVPGKFABMUHTER-QGZVFWFLSA-N 489.988 5.491 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)nnc1-c1ccccc1OC 11810740 HNYPGQVIANUBAY-UHFFFAOYSA-N 498.612 5.150 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(Br)cc1 21927207 TVKPIFWQNRLRPW-UHFFFAOYSA-N 485.451 6.056 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 22716608 IJEVEFZRSAUZEV-GJZGRUSLSA-N 489.414 5.391 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 22731726 DLRCUYLLTWNDGT-UHFFFAOYSA-O 496.481 5.268 30 20 JKED C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 23412890 ZVGRQDRSPMARGJ-AWEZNQCLSA-N 461.572 5.068 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)c1 23499857 XFRZDKXPMTXGFT-QGZVFWFLSA-N 454.646 5.708 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 26498199 USEJCXRASRMXDR-MRXNPFEDSA-N 452.555 5.601 30 20 JKED C[C@H](OC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 26848085 PAIZNWNSFVPFHY-NSHDSACASA-N 457.964 5.069 30 20 JKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2/C(O)=N/c2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1 30558457 JRDJZZKELSUOAQ-HOTGVXAUSA-N 498.561 5.098 30 20 JKED N#Cc1ccc(-n2c(SCc3noc(-c4ccc(Cl)cc4)n3)nc3ccccc3c2=O)cc1 31789852 JDZMZBRUXNZLIG-UHFFFAOYSA-N 471.929 5.253 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)c2)c1 32291618 OVXWVGBBKNOBHA-UHFFFAOYSA-N 471.582 5.104 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1[C@@H]1COc2ccccc2O1 32557077 XXBPNIAUGKJFHE-NQIIRXRSSA-N 464.591 5.021 30 20 JKED Cc1nc(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)sc1SCC#N 71927530 UWJNDQBTRKGTQD-UHFFFAOYSA-N 488.436 5.147 30 20 JKED Cc1nc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)sc1SCC#N 107915547 DVYLLDOWOAHBDR-UHFFFAOYSA-N 450.564 5.926 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc12 195662369 CGYUJQBNIWVZPW-SFHVURJKSA-N 475.986 6.057 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 303009927 OMBSLTOCDIWURC-CQSZACIVSA-N 454.313 5.414 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 303123377 IXNYXMYWAYFRTR-UHFFFAOYSA-N 470.504 5.490 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 409882498 BQIDNNLPUJHGOJ-SFHVURJKSA-N 480.611 5.654 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3n[nH]c(-c4ccccc4O)n3)c2C#N)C1 436851736 MBTMYZUXRNADTR-AWEZNQCLSA-N 481.647 5.382 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(SC)cc1 481681396 CIMQGWWYFYSYRW-QHCPKHFHSA-N 493.560 5.424 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(CC)CC(F)(F)F)c1 484337758 UPMJTVKLWNOGDF-UHFFFAOYSA-N 494.457 5.111 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N2CCC(C#N)CC2)nnc1-c1ccc(Cl)cc1Cl 490057345 HBRZJDGGKBKCEX-UHFFFAOYSA-N 486.428 5.404 30 20 JKED N#Cc1c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)sc2c1-c1ccccc1CC2 496612636 QOKBWGJAEFCRQS-UHFFFAOYSA-N 458.524 5.669 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2ccccn2)nnc1-c1ccc(Cl)cc1 498336145 PWJOBPWXPGJKEF-QHCPKHFHSA-N 476.005 5.177 30 20 JKED C=CCn1c(SCc2nnc(-c3ccco3)o2)nc2sc(-c3ccccc3)c(C)c2c1=O 498578734 SGITVAARYRIPMW-UHFFFAOYSA-N 462.556 5.555 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)s2)cc1 499314652 UONFCZRKLSCTJS-IAGOWNOFSA-N 471.405 5.207 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(NC(=O)c2ccco2)n1 501161673 OCDLTPRYIBPBHL-UHFFFAOYSA-N 474.517 5.084 30 20 JKED CCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1c(Cl)cccc1Cl 501309155 JIBRNKPOJOVMIJ-OAHLLOKOSA-N 493.379 5.622 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 505120463 OUXJOMDHSNTEFG-HXUWFJFHSA-N 462.619 5.310 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 505678729 SONBVTCMLDHEEJ-HXUWFJFHSA-N 461.543 5.054 30 20 JKED CCC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nnc2ccccn12 506315720 KWBQDMQOJFXVIX-HSZRJFAPSA-N 454.534 5.037 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 509907518 FYDPOAPKJIZPLF-UHFFFAOYSA-N 480.490 6.273 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1Cl 510004070 CWEYMZZTWFXGQP-HSZRJFAPSA-N 475.936 5.258 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1Cl 510005799 PHBCKWNOQDPQMR-XMMPIXPASA-N 490.966 5.561 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 511954806 MALISIIXXQHJQW-UHFFFAOYSA-N 457.530 5.484 30 20 JKED C=CCN(C(=O)c1csc(Cc2ccccc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512169289 GJCXYQGNAVGHGL-UHFFFAOYSA-N 462.556 5.598 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccccc1-c1ccccc1C#N 513418716 MYIIYZCHTZRMIR-UHFFFAOYSA-N 462.347 5.055 30 20 JKED CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1 513875490 BAEIRVOLUORPHF-HXUWFJFHSA-N 472.564 5.768 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514490662 OKMJEXPBYNBDGS-UHFFFAOYSA-N 497.536 6.063 30 20 JKED COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)c1 514597790 TZEKGSMNVJJRSA-UHFFFAOYSA-N 477.611 5.490 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 515923309 FKGQAMFLAZUFNA-VIFPVBQESA-N 494.342 5.285 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(Cc4ccc(F)cc4)nc3C)n2)cc1 516269841 AAHVLKOASMHGGV-IBGZPJMESA-N 463.559 5.804 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cc(Br)cn4)cc3)n2)cc1 516270396 WMKVTSNDIYMIPR-IBGZPJMESA-N 479.359 5.257 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc(-c2ccccc2)cs1 516466171 SHWBBFLCTFAYOB-CYBMUJFWSA-N 472.414 6.248 30 20 JKED N#C[C@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1ccc(OCc2ccccc2)cc1 519127682 MDQPHWVXGHTGDB-VWLOTQADSA-N 466.541 5.431 30 20 JKED Cc1cccn2cc(-c3ccc(NC(=O)c4cn(CCC#N)nc4-c4ccc([N+](=O)[O-])cc4)cc3)nc12 519942196 FQXMWQSJSKXGKS-UHFFFAOYSA-N 491.511 5.247 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Nc2cnccc2C)c1 520546650 QVSIPTFHUUSSHB-UHFFFAOYSA-N 475.492 5.042 30 20 JKED COC[C@@H](C)n1c(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnc1-c1ccccc1 520917276 VMJREJVXFAIWQS-LJQANCHMSA-N 499.596 5.547 30 20 JKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 522951500 PHVAVRDWWFODNR-UHFFFAOYSA-N 476.964 5.444 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 522951593 UOUNMYFQQKXQBT-ZJSXRUAMSA-N 465.475 6.028 30 20 JKED COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 524382438 BGWSUBJSXHNQHR-UHFFFAOYSA-N 497.507 5.009 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(c2nc(-c3ccccn3)no2)CC1 591486500 FLRSUIAUARQOJD-UHFFFAOYSA-N 455.543 5.004 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2c(C)c(C)sc2n1 603738469 HGKJRIUSMIVQEY-UHFFFAOYSA-N 475.599 5.715 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 603739060 OCQUJTWYPMDDOZ-UHFFFAOYSA-N 474.973 5.936 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccccc1-c1ccccc1C#N 603976565 GPBMOTXUKADEIE-PMACEKPBSA-N 451.570 5.904 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3OCC(F)(F)F)c2)c1 604086117 ZXCZCUYZOHHKSR-UHFFFAOYSA-N 468.435 5.073 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)cn2)c1 604086537 LAHXDJMARHYJRX-UHFFFAOYSA-N 496.354 5.042 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 604108885 VWTFPKGGVUEIIZ-HXUWFJFHSA-N 491.016 5.390 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1F 604364733 UZUNRWZIAHRTKV-UHFFFAOYSA-N 491.523 5.026 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(C(=O)OCC)cs1 604534069 OLFYWYFSPPTEKL-UHFFFAOYSA-N 458.543 5.005 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 608785049 REUUNHDZPZUZHJ-UHFFFAOYSA-N 471.492 5.636 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 608796804 NUUABDDQMBKFRC-INIZCTEOSA-N 482.367 5.130 30 20 JKED Cc1nc(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)ccc1C#N 608904600 HTTGWFCLEZFHSH-UHFFFAOYSA-N 465.384 5.116 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(Cc3c(F)cccc3Cl)o2)ccc1Cl 608929771 QVOWQOXEQZJNBY-UHFFFAOYSA-N 479.364 5.454 30 20 JKED N#Cc1cc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1F 609103222 ZTWJCBRMSYVHEZ-UHFFFAOYSA-N 463.578 5.127 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(S(=O)(=O)Nc4ccccc4F)c3)c2)cc1 609175876 LJBGQZNUNAVKOF-UHFFFAOYSA-N 487.512 5.543 30 20 JKED COc1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)n2)cc1 609378429 LPOVBZFLYZQWSY-UHFFFAOYSA-N 476.480 5.341 30 20 JKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(Cl)c1Cl 609416408 SJWWFRKQSADTPY-INIZCTEOSA-N 470.303 6.059 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc2ccccc2n1C(F)F 613402000 XIRJVURJANTZFT-CYBMUJFWSA-N 456.250 5.074 30 20 JKED Cc1nc(-c2ncccn2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 614386680 QRXKYPRTUXAYHN-CYBMUJFWSA-N 472.382 5.829 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cccnc2SCc2cccc(Br)c2)cc1 615001694 AISKTHLHGGTEOE-UHFFFAOYSA-N 482.403 5.305 30 20 JKED O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 622584806 KNCDJXQZYFGAEC-OAQYLSRUSA-N 489.435 5.433 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2ccccc2)cs1 641902370 WXDCOBVVMIDJOD-FQEVSTJZSA-N 466.006 5.535 30 20 JKED C=CCc1ccc(OCC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)c(OC)c1 643414746 XLWJDUQRNOUEHR-UHFFFAOYSA-N 466.969 5.080 30 20 JKED CCN1CCN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)CC1 726071707 NNPXIRNFWUUCJI-UHFFFAOYSA-N 471.580 5.074 30 20 JKED C[C@@H](Sc1ncccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)N1CCCC1 726142067 LQRCFCPCPGLISG-NTKDMRAZSA-N 470.598 5.092 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726407242 PZJDWWCZQTWALB-AOMKIAJQSA-N 492.988 5.396 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)cc1 726414867 FKFPKWXAVKLLDY-QHCPKHFHSA-N 474.586 5.029 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC)c(F)c3)N(Cc3ccsc3)C2=O)c1 726415967 MGQMADOPWPFEBX-OAQYLSRUSA-N 499.589 5.065 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@H](C)c1cccs1 726419806 JRKRDOODPLZVJH-WWUPYOLOSA-N 480.055 5.136 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1NC(C)=O 726428257 ITFLYEPQHBKHFR-VMPITWQZSA-N 485.290 5.480 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)C=C1 726570241 YUUWIVWZVJMDEG-UHFFFAOYSA-O 468.558 5.273 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(N3CCCC3=O)cc2)cc1 726571511 WMCNNICKLWLXDA-UHFFFAOYSA-O 490.008 5.258 30 20 JKED COc1ccc(-c2nc(COC(=O)c3occc3COc3cccc(C#N)c3)cs2)cc1OC 726689557 ONUBGCWBPGIOKZ-UHFFFAOYSA-N 476.510 5.228 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3cc(C)c(Cl)c(C)c3C2=O)cs1 727780341 LSWZBGGFWSQRAX-YVLHZVERSA-N 452.963 6.065 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)COC)c1 728248093 FDXVFJBDBBUQHL-JOCHJYFZSA-N 496.636 5.459 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 728766574 CIYWQSFLMVHGLC-FQEVSTJZSA-N 460.361 5.217 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2CCCCC#N)cc1 728777517 LAGQYGJTYNOCGC-HSZRJFAPSA-N 473.602 5.336 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCCCC#N)c1 728780814 ZZMPGIVCCCGUCD-HXUWFJFHSA-N 499.423 5.629 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 729375586 MBUMGWQJUXNLFH-IERDGZPVSA-N 471.513 5.215 30 20 JKED Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1NC(=O)c1ccccc1F 729375664 PYBDYCSZCROPDZ-UHFFFAOYSA-N 465.484 6.303 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 729564206 XNMAXTVKQIHRTD-HXUWFJFHSA-N 464.566 5.428 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 729632557 ROHKUVMOXMLDQJ-DEOSSOPVSA-N 488.588 5.178 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 731060829 LPCUOJNYPNESJC-KRWDZBQOSA-N 456.995 5.585 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 731063765 MOKDXJWNEFINOR-INIZCTEOSA-N 479.583 5.048 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(F)(F)F)c1 731303918 DXHPOLXDCTUOCI-IBGZPJMESA-N 490.507 5.065 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cscn2)C1=O)Nc1cccc(O)c1 731304150 KHMCSJIWSSIZDO-JOCHJYFZSA-N 488.594 5.162 30 20 JKED Cc1nnc(SCc2c(C(=O)OCc3cn4ccccc4c3C#N)oc3ccccc23)s1 742955785 NLPTZHPKFHCKJH-UHFFFAOYSA-N 460.540 5.366 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(CCc2cccs2)C1=O 743524605 LFTNTHXMCYMRAB-QFIPXVFZSA-N 497.617 5.407 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2s1 744936166 NCFWNFDQIIOLTE-KRWDZBQOSA-N 490.610 5.957 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)c(C)c2)n1 748037009 VMUISHQAJVAYAK-QFIPXVFZSA-N 492.576 5.007 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 749360701 COHHYEJPRGYQQM-UHFFFAOYSA-N 476.330 5.370 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CCN(C3CC3)CC2)C1=O)Nc1ccccc1 837285787 QJZSBVOXSXUEQY-SANMLTNESA-N 498.652 5.427 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 838277753 PEKRNUQOSWLEQY-WZONZLPQSA-N 458.587 5.366 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1 914450038 UPYUPJLDVLOHCQ-XTEPFMGCSA-N 467.569 5.018 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccccc2COC(C)C)C1=O 914553926 MDODDASCPUEBCZ-FQEVSTJZSA-N 494.444 5.186 30 20 JKED Cc1c(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)sc2nc(C(F)(F)F)ccc12 914603019 AYTYUXNVDDNSRF-UHFFFAOYSA-N 495.395 5.281 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)oc2cc(NC(=O)OCC)ccc12 915118808 PGKFCFYPEVWUGH-UHFFFAOYSA-N 476.558 5.022 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1Cl 916057291 NBOOQGSNBMQWRP-LJQANCHMSA-N 460.889 5.244 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccccc3)C2=O)cc1 916205160 HWYHLICPBNIWMF-QHCPKHFHSA-N 475.545 5.189 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCc2ccccn2)C1=O)Nc1ccc2ccccc2c1 916208508 IQCFWIYGNDWRBK-VWLOTQADSA-N 498.583 5.577 30 20 JKED COc1cc(Br)c(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1OC 916277194 XRKIWWYVBDBPNK-UHFFFAOYSA-N 488.194 5.203 30 20 JKED N#C[C@H](C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 916628115 MCWQQBMVGTXVHK-OAQYLSRUSA-N 499.979 5.869 30 20 JKED N#C[C@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916654045 UXMFWFZFHAXHGW-OAQYLSRUSA-N 485.565 5.110 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c1 916889542 ASLLKVHHOWFILP-KRWDZBQOSA-N 464.934 5.019 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 916929503 MTCHYVDXZCSKJP-GOSISDBHSA-N 478.961 5.078 30 20 JKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916976404 NPZMRUFCCWXRIX-QFIPXVFZSA-N 458.970 6.446 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 917043905 PCRQLCVODSASKN-HNNXBMFYSA-N 475.879 6.433 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)c1 917044959 WGLAAYAEQXDASL-APWZRJJASA-N 485.531 5.661 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccc(C)s2)C1=O 917670072 ZLEGPBOEPBFTHR-JOCHJYFZSA-N 479.627 5.534 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(F)cc2F)cc1 917696727 OVQUBNPAWQHBNO-JOCHJYFZSA-N 494.498 5.136 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)nnc1-c1ccc(Cl)cc1 917770693 KWHVVANDSHNIPZ-UHFFFAOYSA-N 489.979 5.394 30 20 JKED C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918546507 BKOSDPDIBLCRHU-IFMSOTMUSA-N 477.030 5.158 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 919665549 BTYIPORIIHJTOD-MRXNPFEDSA-N 495.875 5.019 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 920108690 IUQAKXMEVXWUQC-LBPRGKRZSA-N 480.398 5.386 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccc(C)s2)cc1 920171605 VTRIPFNHEJQECB-OPAMFIHVSA-N 497.617 5.926 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@@H]2c2ccccc2)c1C 920353159 BYCWTBRQIOZXFK-BBVWWWHTSA-N 491.657 5.072 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cc(O)ccc2C)N=C1C 920484694 VHDQQLIYERYYSN-UHFFFAOYSA-O 491.420 5.613 30 20 JKED COc1ccc(OCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1 1785981027 KENIXLQSHXEVHC-HXUWFJFHSA-N 483.568 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)cc2)CCC1 1786141186 ISSXFIKIAFKNMG-DENIHFKCSA-N 469.626 5.050 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)CCC(F)(F)F)cc2)CCC1)NC(=O)OC(C)(C)C 1787872536 OFQOILKMXLVOCR-LJQANCHMSA-N 497.558 5.323 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cn5ccc(Cl)cc5n4)cc3)CCC2)c1 1789098898 BDWIUIMYWIWDPZ-UHFFFAOYSA-N 497.986 5.240 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)CCC2)cc1 1789508933 CPBLLNAJGMBOHQ-MDNUFGMLSA-N 452.696 5.047 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790090302 VILOGQVDVRYDEF-UHFFFAOYSA-N 478.980 5.116 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCC1 1790312150 IFPZULYHNLIAJB-INIZCTEOSA-N 461.484 5.254 30 20 JKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)c1 1790342745 YSHNBNAXRQSKHF-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1 1790468575 ACYZNSCSBOAQIL-URXFXBBRSA-N 493.648 5.174 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1 1790468637 IABWYBYROYRQSH-NZQKXSOJSA-N 481.637 5.336 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccc(F)cc4)CCC3)cc2)cc1 1790705234 MBPPOIRXWLLITD-FTJBHMTQSA-N 467.544 5.443 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)CCC2)cc1 1791587667 CHGLKUBYUKSMAG-JTHBVZDNSA-N 489.616 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)c1 1792123683 BHAZVPCQUXNXNY-CLYVBNDRSA-N 463.528 5.807 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c(C)n1 1792125248 TZEMLGSMGJZJJC-GOSISDBHSA-N 452.558 5.387 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)COC5)CCC3)cc2)cc1C#N 1792168487 HCNBTKGDZVEGHG-UHFFFAOYSA-N 495.579 5.437 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)cc2)CCC1 1792391945 DEPVTOUELDWSMG-GBXCKJPGSA-N 495.664 5.534 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(C#N)cc3)C4)ccc21 1799315995 UXNQMCDBRNESTH-BKFWDETESA-N 476.580 5.252 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(Cl)c2OCc2ccccc2)C1 1799336869 DPJRPNZPCXCLAP-KOUNCHBCSA-N 464.993 5.137 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12)C(F)(F)F 1800812825 ZBOGMQMBKTVFGG-WKCHPHFGSA-N 494.513 6.002 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)[C@@H]2c2cccnc2)C1 1802416046 MLMZRGXRIIUKKN-DYESRHJHSA-N 477.914 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1802491985 JDXTZGJJOWKUMT-NAKRPHOHSA-N 484.644 5.261 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1802629121 PDUBVJJDNQTZNT-WKCHPHFGSA-N 459.615 5.342 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)[C@H]1c1cccnc1 1803081406 JOHDXWHGCMVVLX-BDYUSTAISA-N 471.645 5.368 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1803093681 WDWFVOJZEUCTPA-XXBNENTESA-N 489.513 5.328 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1804380645 SUQVZOYJGZDOCU-CMYGGTMGSA-N 468.601 5.051 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1806029575 MPDQPTOMEVYCFH-FQEVSTJZSA-N 460.574 5.022 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccnc3ccccc23)[C@H]1c1cccnc1 1808961382 GGMUQNDWQQUXMV-NEKDWFFYSA-N 498.703 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@@H]1c1cccnc1 1809494640 AZLSPHQKEBUCPB-WAFQHWAMSA-N 498.627 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@@H]1c1cccnc1 1809625262 MFNOEOMIYYPTBF-FYHLHOPESA-N 465.682 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)[C@H]1c1cccnc1 1810490228 SGHYTEUQUCBXCR-UWJYYQICSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1810501742 CUCALFLRLONNBL-GRYUFTJMSA-N 465.613 5.098 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811748853 DMOZFSIXFAWULK-GAJHUEQPSA-N 497.357 5.033 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@H]1c1cccnc1 1812219179 NVEIHKLXXFNMKS-RNWIMVQKSA-N 494.595 5.336 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1812592174 QPIJHWGPWXGIMI-QUZZAMIASA-N 451.954 5.013 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@H]1c1cccnc1 1812787773 TVRASPMWFVUGPN-PMKNUOBQSA-N 451.655 5.462 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)cc2Cl)[C@@H]1c1cccnc1 1812980779 KFUDGAPJZNCGRE-UTRDGYRGSA-N 482.024 5.152 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2SCC)[nH]n1 1814439855 GDJOCSZTSOPACT-IBGZPJMESA-N 455.628 5.215 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)Sc2ccccc2)[nH]n1 1814823716 FDCABVTVCORSFJ-XMSQKQJNSA-N 452.624 5.351 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1 1815656384 REISQSPCMQGPET-IBGZPJMESA-N 481.449 5.261 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)[nH]n1 1815656744 BNGBLQWAMIEMPH-QHCPKHFHSA-N 492.645 5.332 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccccc23)[nH]n1 1818115651 HRETZEYIKUOVQY-TWLJRWAQSA-N 484.581 5.369 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(-c3cccnc3)n2)n[nH]1 1818149647 JJTQMFQLHJHCEE-FQEVSTJZSA-N 478.622 5.227 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)cc2c1 1818562626 FGRFIMPBQFZVJW-RUZDIDTESA-N 480.572 5.010 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)[nH]n1 1819305456 JQYUSLBGFUBJNE-ZHRRBRCNSA-N 467.520 5.244 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1c[nH]c3ccc(OC)cc13)CC2 1819603558 WHHYTAFTPIWERN-LCCNYURCSA-N 490.629 5.027 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)c1 1819965635 GCRNITXTAWNCAV-INIZCTEOSA-N 474.373 5.269 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821049149 YJJNEZUXJKKFJC-DNQXCXABSA-N 488.588 5.081 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c1 1821325610 KIIXNGQXLNKWQK-XMMPIXPASA-N 453.546 5.087 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4c(Cl)ccnc4c3)n[nH]2)c1 1821385424 PWCGSVIKGLMNIL-DEOSSOPVSA-N 498.974 5.411 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1821921394 PQCRKFKNAKOAGY-JLTOFOAXSA-N 473.499 5.428 30 20 JKED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1cccs1 1822707651 OTPWTWVNBROEPD-RDTXWAMCSA-N 467.982 5.106 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)c3cccs3)[nH]n2)cc1C#N 1823295010 WYBNCGJCNXQHMS-DYESRHJHSA-N 491.617 5.240 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)n[nH]2)c1 1823300486 MNRBNTXHIZOWLT-HXUWFJFHSA-N 485.441 5.059 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)cc1 1823685250 OUSBWQPOGOTXMV-AREMUKBSSA-N 486.641 5.034 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 1824051608 VHSJYDIBEHTQQH-VWLOTQADSA-N 481.999 5.217 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 1824052813 TUDSGUSPXQZHJZ-AREMUKBSSA-N 478.036 5.007 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccc(C)cc2)CC1 1824142474 RVJROGZZXUTWCM-RUZDIDTESA-N 454.680 5.475 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1824143083 GOCZGNBWKTVJKL-HSZRJFAPSA-N 474.686 5.133 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1)c1cccs1 1826269680 QJMXJNCPZCXPHC-UFSNDUKISA-N 456.652 5.077 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1826691200 PILGFDHFDDHIES-QHCPKHFHSA-N 474.630 5.433 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc4ccoc4c2)CC3)c1 1827700263 IZSILUPGYHZAPF-MGPUTAFESA-N 470.554 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3c(c2)CCCO3)CC1 1828448459 GBIGTXWBGFHAJR-VWLOTQADSA-N 466.666 5.166 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1828822514 ILRQXTQKEZCZCP-OZXSUGGESA-N 496.602 5.357 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1830393114 MTKVXSQYGDGELK-DNQXCXABSA-N 489.701 5.068 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1830416119 GHJRUCLNKXLISE-KDYSTLNUSA-N 493.623 5.527 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578846 IZAKYSNSBZUQAS-FQEVSTJZSA-N 454.920 5.006 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)ccc2[nH]1 1830632755 YHMUEUFIFQMSCM-MHZLTWQESA-N 468.601 5.090 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c1Cl 1830632932 AANWTQUQLOGKTF-DEOSSOPVSA-N 464.009 5.262 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)c(Cl)c1 1830721980 WZGMUXPFXYQADX-XUZZJYLKSA-N 495.973 5.363 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1830770534 ATWNKRANUVZKME-XWGVYQGASA-N 489.582 5.469 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(C)snc3s2)CC1)C(F)(F)F 1831450703 GDTMRJRSVBNHFX-INIZCTEOSA-N 471.570 5.018 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1832632358 NUJCXZILDXWUCX-RBFPLYSUSA-N 495.623 6.007 30 20 JKED Cc1cc(F)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634231 RUQKIRIZFUIQJP-FNZWTVRRSA-N 461.581 5.308 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699578 HJCFQFNXZVLMOF-ONWFOFBKSA-N 483.612 5.299 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707847 MWHMMSSVOKYKLZ-IBGZPJMESA-N 476.461 5.289 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)CC1 1838222891 PUJOFNDCCIKVEP-UHFFFAOYSA-N 487.591 5.051 30 20 JKED CCCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)cc1 1838608722 VUGFDAMYNJZUHE-QFIPXVFZSA-N 487.644 5.192 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCC(=O)OC)C1 1847097746 LZEOVRQKRJTHPF-UHFFFAOYSA-N 460.659 5.032 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)cc1 10165403 CSMHTADJBAKLQR-UHFFFAOYSA-N 480.490 5.112 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179229 UNNRZSOWCVWLHN-UHFFFAOYSA-O 461.438 5.850 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179232 HUODRGWRLYAXRG-UHFFFAOYSA-O 494.414 6.908 30 20 JKED C=CCn1c(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)nnc1-c1cccnc1 10196542 JMMRKWCXEOAMAG-UHFFFAOYSA-N 484.629 5.803 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2Br)nnc1-c1ccc(Cl)cc1 10240333 RYTMGXCQVVDCTD-UHFFFAOYSA-N 491.842 5.298 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccc(OC)cc1 11076834 MZBSJLRKDOBQLQ-UHFFFAOYSA-N 473.480 5.501 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(CC)cc2)cc1 11252985 OUVZAGUNODOONN-UHFFFAOYSA-O 473.618 5.253 30 20 JKED Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccc(C)o2)CC3(C)C)cn1 11480912 XGUHVSSSBPGUHZ-SOFGYWHQSA-N 488.569 5.193 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)n(-c2cccc(F)c2)c1C 16679814 IJBXSBMSRNABQL-UHFFFAOYSA-N 481.940 5.539 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)c1 22729684 CHBIMRKVJBCGJH-UHFFFAOYSA-O 451.562 5.799 30 20 JKED Cc1sc2[nH]c(CS[C@H](C)C(=O)OCc3ccc(-c4ccccc4C#N)cc3)nc(=O)c2c1C 23436998 SPSPNICEZKVXFF-QGZVFWFLSA-N 489.622 5.505 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 25662337 VSYXNSKIMSMHJM-UHFFFAOYSA-N 491.516 5.169 30 20 JKED C=CCn1c(SCc2nc3ccccc3c(=O)n2C)nc2scc(-c3ccc(C)cc3)c2c1=O 26891225 IWOPERQKTQOMSR-UHFFFAOYSA-N 486.622 5.159 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1 27418466 KZJHMQHGZSOQAP-GOSISDBHSA-N 467.525 5.218 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1OC 36802363 DJLGGDOVLGCQMY-CYBMUJFWSA-N 463.390 5.566 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2scc(-c3ccccc3)c2c1=O 104582935 SRZNDWMZYSFEIU-UHFFFAOYSA-N 475.595 5.244 30 20 JKED N#C[C@H](COC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Cc1ccc(F)cc1 195697001 ZYSMVQJFRMNJJV-OAHLLOKOSA-N 469.866 5.035 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1 303143608 MPQBBIWMCZBTRP-UHFFFAOYSA-N 480.307 6.477 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H](C)c1cc2ccccc2o1 481283375 LXGSZBPAWMQDCU-SFHVURJKSA-N 485.515 5.571 30 20 JKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481622512 HVUYHUOVFXGVSD-UHFFFAOYSA-N 458.537 5.540 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)n1 488833365 AAKDFBPIISKHEQ-UHFFFAOYSA-N 450.542 5.446 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 501182036 MKAWSKXUESCQEZ-UHFFFAOYSA-N 481.531 5.179 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)nnc1-c1ccccc1 504278350 BWDGBGBJWJXILZ-IBGZPJMESA-N 498.656 5.985 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)c2)cc1 504914769 OQCZOAYEJXUADU-AREMUKBSSA-N 454.574 5.118 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1 505624897 ISXASJUQQIJLPO-UHFFFAOYSA-N 483.568 5.169 30 20 JKED COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 506315777 RDUQXZOCWWRDEB-OAQYLSRUSA-N 456.546 5.316 30 20 JKED CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 507750546 XAXNCEALAYWFQC-OAHLLOKOSA-N 453.593 5.372 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 508119629 IDJASHZQTGAZRG-UHFFFAOYSA-N 484.512 5.750 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1 508276511 UHNZIZACXYQPFN-UHFFFAOYSA-N 499.546 5.985 30 20 JKED COc1ccc(CN2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1F 510025175 ZMKCVYHYBYRJEA-HSZRJFAPSA-N 492.982 5.493 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 510430531 STTLHDHGVTTYJH-UHFFFAOYSA-N 493.423 5.477 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(OC(F)F)c1 511473539 IPFQAYORKVZQET-OAHLLOKOSA-N 450.445 5.295 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccccc1Br)c1nc2ccccc2s1 513660200 KLTHZVOMVMLLLU-INIZCTEOSA-N 476.355 5.801 30 20 JKED CCn1c(SCC(=O)Nc2cccc(OCCCC#N)c2)nnc1-c1ccc(Cl)cc1Cl 515618337 NEXGLVRPJKNZLN-UHFFFAOYSA-N 490.416 5.685 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1 516270387 VVGRKMDDECJRDA-LJQANCHMSA-N 455.495 5.352 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1cccc(C(F)(F)F)c1 517800961 SHECRYPWJQRNTG-LJQANCHMSA-N 477.471 5.685 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 518668941 VOWVDTHVYVNHMZ-UHFFFAOYSA-N 469.916 5.513 30 20 JKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[nH]c2c1 519934927 GDRLKPZFMARWKN-SANMLTNESA-N 465.557 5.885 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OC1CCCC1 520671416 KIEMTJVTHPBJQE-LJQANCHMSA-N 499.567 5.496 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c1 520923520 QBRTVPOEIZKXOH-GOSISDBHSA-N 475.570 5.359 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccc2ncccc2c1 521797377 PANUBSOQKAGGIZ-HSZRJFAPSA-N 478.943 5.685 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCC(=O)Nc3cccc4cccnc34)cc2Cl)cc1 522233670 KFGDLLSONYLPCZ-UHFFFAOYSA-N 471.904 5.312 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2cccc3ccccc23)cc1 523924767 XKFVRSADNWCPHM-UHFFFAOYSA-N 465.509 5.109 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 551742424 STJHDJZNKKMFMB-XMMPIXPASA-N 475.976 5.633 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3 557545662 IOBWPFPDORATRL-CYBMUJFWSA-N 470.645 5.009 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 591557833 WGSHZLCFIMZJMD-HSZRJFAPSA-N 493.489 5.009 30 20 JKED COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1 598583479 IEORTNIKHLTIGD-HOTGVXAUSA-N 477.586 5.077 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1 603458576 VNINHNMBGVKRKO-UHFFFAOYSA-N 482.634 6.122 30 20 JKED C=CCN(C(=O)COc1ccc(/C=C\C)cc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459290 KNVWBVNRIYEGMA-XQRVVYSFSA-N 465.531 5.358 30 20 JKED CCOc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 603501155 YYGLWCXMJXXYRP-JOCHJYFZSA-N 454.530 5.400 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)CC1 604129327 JRCAQBHQOTXOTQ-QHCPKHFHSA-N 481.556 5.012 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 604135651 QFAMWDTUKHCERV-ILBGXUMGSA-N 459.977 5.838 30 20 JKED CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604135693 CKIYTJNWMAZONJ-QHCPKHFHSA-N 461.949 5.038 30 20 JKED CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604163105 CITDLSGKSDIGDK-UHFFFAOYSA-N 482.540 5.431 30 20 JKED N#Cc1c(NC(=O)CCN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2c1CCCCC2 604276292 IEUHBGIDMQARNA-BETUJISGSA-N 467.479 5.280 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1C 604449311 OYLPGUWOZQXXCP-UHFFFAOYSA-N 495.549 5.057 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2)o1 608872008 JVIXDOQVIFUEEF-RUZDIDTESA-N 477.520 5.331 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 608876172 FMDCTGQJOKWKHL-SFHVURJKSA-N 456.546 5.109 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C 609073137 QRCZPCMDFBXFLT-HHHXNRCGSA-N 469.585 5.537 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)nnc2N2CCCC2)cc1 609370732 SCLQQJKZGIUWAD-LJQANCHMSA-N 492.674 5.301 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(Cc2ccccc2)n1 609378626 UNDQFCFNXSHNME-UHFFFAOYSA-N 461.534 5.940 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 609404201 JASDLVSNOKAYFD-UYAOXDASSA-N 489.563 5.567 30 20 JKED O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619386848 XUIXPCIUWFEZAD-GASCZTMLSA-N 466.372 5.827 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccccc1F 645077387 UDGQZFZANWJUJC-UHFFFAOYSA-N 481.578 5.133 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 725969382 LDNILSVZLLMTPR-UHFFFAOYSA-N 491.516 5.169 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 726396977 GHAWBGITAAUGSS-GAJHUEQPSA-N 479.577 5.364 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3nc(C)c4ccccc4n3)C2=O)cc1 726401244 SHBLUVWKOZIMTH-DEOSSOPVSA-N 495.608 5.407 30 20 JKED CCOc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc(Br)c1O 726626213 BBYWIKOAWDBLMG-FRKPEAEDSA-N 495.807 5.484 30 20 JKED Cc1ccc(OCc2nc(/C=C3\SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)cs2)cc1 726627546 RLNXSXBMYYZHHA-UWVJOHFNSA-N 484.027 5.961 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 726942315 VBHXLMYDRDQFRI-UHFFFAOYSA-N 460.374 5.438 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1 727655631 ZCWZSVNCEMRLDB-RAXLEYEMSA-N 494.041 7.118 30 20 JKED CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccccc1 728033310 YDVDPOXADQMNQK-DEOSSOPVSA-N 457.530 5.342 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 728121777 PLAAGCDZPLVWMW-LJQANCHMSA-N 484.984 5.169 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 728777774 OFTARJYYVXAUPO-HSZRJFAPSA-N 474.561 5.633 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CCCCC#N)C2=O)c1 728778212 RUVAYZCKFIZHQE-NRFANRHFSA-N 487.000 5.750 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)cc1 728778872 VCVHEMGGOFJSEX-DEOSSOPVSA-N 491.661 5.530 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 729070457 VTWLWXORLZDUMT-HXUWFJFHSA-N 469.324 5.542 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C(C)C)cc1 729142788 LJFBXWKDEWCYPM-OAQYLSRUSA-N 478.643 5.735 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1 729654527 BNIWNNRHSWOCHS-UHFFFAOYSA-N 466.353 6.463 30 20 JKED N#CCCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 729726582 JFQSVAHMEKTEAL-UHFFFAOYSA-N 481.335 5.328 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCC1 730460363 ZANQYCICIMJNKU-LJQANCHMSA-N 472.954 5.069 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)c1 730460379 ZIYWVYQFQMJZPU-FQEVSTJZSA-N 457.983 5.170 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1C 730942809 XMNHWJDWOHKAGT-FDDCHVKYSA-N 476.577 5.559 30 20 JKED Cc1ccc(Cl)c(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1Cl 730955296 XQESDARHJCFUHI-UHFFFAOYSA-N 464.365 7.135 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2Cl)C1=O)Nc1cccc(O)c1 731305408 BUJGRMASXJRTRH-OAQYLSRUSA-N 465.962 5.206 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCC2=CCCCC2)cc1 731306195 SZUWOGHPFNYTGF-HSZRJFAPSA-N 479.602 5.252 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 731316281 VDCSIZPFKFOMIM-VWLOTQADSA-N 494.576 5.015 30 20 JKED CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731399823 GBMALYFNCHZXPE-SFHVURJKSA-N 450.539 5.119 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@@H]2CCCO2)c1 743525199 OTAMZURZZDVWGC-HRAATJIYSA-N 490.000 5.235 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCOC(C)(C)C 746695352 FKJRNBCAAVOKDL-FQEVSTJZSA-N 475.561 5.049 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CCCOC2CCCC2)C1=O 747042713 HSKIGMYVEXJRPI-XMMPIXPASA-N 495.645 5.313 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2I)cc1 751083080 HFBKXSZGWVRKFF-IBGZPJMESA-N 456.258 5.338 30 20 JKED FC(F)(F)Oc1ccccc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 767304342 ZMSSAYIVUVXSIL-UHFFFAOYSA-N 463.268 5.233 30 20 JKED Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4ccc([C@@H](C#N)c5ccccc5)cc4)c3)cc21 771823265 JWHQZXDBNXBMQX-DEOSSOPVSA-N 459.509 5.249 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 788295952 GZHSZJYMLUBJCT-HNNXBMFYSA-N 464.930 5.352 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3C)n2Cc2ccco2)cc1C 802663445 JZVDOTLIOCFCGJ-UHFFFAOYSA-N 485.613 5.551 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2cc(C#N)ccc2F)cc1Cl 808380428 IYSZDZTZFIYRLQ-JAIQZWGSSA-N 483.977 6.098 30 20 JKED COc1cccc(O)c1C=Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 812390494 YHIRHYYGFZLJIW-UHFFFAOYSA-N 464.515 5.267 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1 837300265 AJYMYXPDYRSBOA-LJQANCHMSA-N 457.527 5.187 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1[C@H](C)c1cccnc1 837301943 QERAWOGDBADHRU-JPYJTQIMSA-N 493.032 6.073 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3sccc3C)C2=O)c1 914546335 NPDRNGZLPRYISS-NRFANRHFSA-N 495.626 5.234 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCCCCC#N)ccc1Cl 914616993 DMTPHENCWLTXHD-UHFFFAOYSA-N 467.374 5.225 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(OC(F)F)c2)c1 916065122 JOOGQWDUTFJKNZ-UHFFFAOYSA-N 492.931 5.575 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1C 916207996 QQXDUGMGNHNVOF-FQEVSTJZSA-N 493.551 5.319 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)cc1OC 916209646 POAAQZVXMSTJCQ-NRFANRHFSA-N 499.976 5.111 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)cc(C)c1 916210785 IVUPDERHFGIBFG-HXUWFJFHSA-N 493.551 5.319 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 916722548 ORFVKLAILHEVDZ-SZWCJKGDSA-N 489.041 5.302 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 916901428 HQSMWFCWJBNCJO-QGZVFWFLSA-N 467.978 5.287 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 916904748 ILDBACQMNGAQOJ-HSZRJFAPSA-N 489.019 5.881 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4cccc5ccccc45)cc3)o2)c1 916915733 IGAPCYYLUYRODU-DEOSSOPVSA-N 472.504 5.826 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 916922186 CUKMLDSRDLZZDN-IBGZPJMESA-N 478.932 5.287 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 916955077 METABIVRNBYAPF-UZUQRXQVSA-N 499.533 5.419 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(SCc2ccccc2)cc1 917508430 RODPFKBCBYWYAN-OAQYLSRUSA-N 460.555 5.306 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(-c3cccs3)cc2)cs1 917560857 ZQVNCPOCCHTUGI-RAXLEYEMSA-N 464.999 7.106 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 917657538 ZUYOODHBFOWCFQ-SFHVURJKSA-N 484.380 5.129 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917658243 CHSSMHRZNQAQAB-HJOGWXRNSA-N 490.673 5.199 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)cc1 917682417 UUPQKZNDTJIHOF-XMMPIXPASA-N 487.629 5.125 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917703516 NIZDAKBIHADUDR-FQEVSTJZSA-N 460.584 5.089 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2c1C 920110692 GHSTTXGCWSGZMI-OAHLLOKOSA-N 479.414 5.445 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)s4)n3)n2)cc1 920111872 ZVKPYCBGZFFZSD-OAHLLOKOSA-N 456.017 6.376 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(F)cc3Br)n2)cc1 920138846 KXLWIFAMLZBRON-WBMJQRKESA-N 475.339 5.364 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@@H](C)c2ccc(F)cc2)C1=O 920168791 BRXNVOIELSGXLD-FZKQIMNGSA-N 481.565 5.012 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc(-c2ccncc2)cs1 920268223 NBUKIEJIMRJGKP-NRFANRHFSA-N 478.533 5.623 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)n1 920326972 GUPRSBKRWUATHH-SWLSCSKDSA-N 475.979 5.126 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2cc(C)on2)C1=O 920354089 YSDAEHOQSREEPT-NRFANRHFSA-N 498.992 5.114 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)C1 1780838940 YKCACZUSCFBGPE-VFTYGKKMSA-N 496.598 5.224 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cn5cc(C(F)(F)F)ccc5n4)CCC3)cc2)C1 1785807519 GNMFOENOYOQVMI-UHFFFAOYSA-N 468.479 5.067 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)C[S@](=O)C(c3ccccc3)c3ccccc3)cc2)CCC1 1786155539 BGYUDXOFHMDSGR-BHVANESWSA-N 498.648 5.072 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCC2)cc1 1786373798 NEIKZOQCKQBFPX-MRXNPFEDSA-N 479.558 5.148 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1786679088 BMZCECNBUYMPKK-UHFFFAOYSA-N 453.995 5.488 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788311917 BYRSLPOJBOTYQQ-NRFANRHFSA-N 484.021 5.271 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cc(C)n1 1788649388 GAFSLINVVPOIFV-VAWYXSNFSA-N 473.598 5.201 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCCC4(F)F)cc3)CCC2)c1 1789165884 BJTOYANNIVGWQQ-XMMPIXPASA-N 473.470 5.363 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393214 YKJXGPFVLAYCDL-INIZCTEOSA-N 451.954 5.160 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1789513283 WHKIAHGGNXGVOL-WRRYFKGYSA-N 479.024 5.049 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1789515512 XPNHIFHIXUJDRA-LQKURTRISA-N 478.980 5.306 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)cc3-n3nccn3)CCC2)cc1 1789626173 COKLNSPLOQXHNX-UHFFFAOYSA-N 471.605 5.316 30 20 JKED COc1ccc(C2(C(=O)Nc3ccc(C4(NC(=O)[C@@H](C)ON=C(C)C)CCC4)cc3)CCC2)cc1 1790484435 LLECTVBALQHKEW-HXUWFJFHSA-N 477.605 5.052 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1790566005 KUABSANCMHOVEN-MRXNPFEDSA-N 467.953 5.635 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5cn4)cc3)CCC2)cc1C#N 1790833963 ZGDXOZVVZGWHHG-UHFFFAOYSA-N 494.551 5.548 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cc4ncccc4[nH]3)cc2)CCC1)c1ccc(O)cc1 1790843054 XHAVNJWHVAHTOZ-OAQYLSRUSA-N 492.579 5.213 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)CCC4CCCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681973 FFFMDUWXYDXBQK-DEOSSOPVSA-N 495.664 5.657 30 20 JKED CC/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1792064792 UEWDRIXAGPKUJQ-DNTJNYDQSA-N 494.636 5.018 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCc3cccc(Cl)c31)C2 1798422637 FDAJUYQRNBJCGW-CIAFKFPVSA-N 471.117 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(Br)cc1Cl 1800406218 ZBYJXYCIKGRYTC-QKPAOTATSA-N 483.809 5.262 30 20 JKED Cc1ccc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc([C@@H](C)C#N)c3)C4)sc2c1 1801085578 ASTUOZOCVACKPQ-QMZRJTEUSA-N 457.599 5.402 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1802493116 UVCYLPUBVBOJSH-JYFHCDHNSA-N 486.616 5.357 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1802499085 FRFFEYALMVUUIJ-XXBNENTESA-N 499.011 5.264 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)C1 1804865629 ZKINDIOFQYVRIR-UHFFFAOYSA-N 487.644 6.265 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1805067010 YJFOZQFOINDHIG-AVPJRLCVSA-N 486.591 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1810173534 WCPXGSVEQQYDOC-BFLUCZKCSA-N 484.600 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1810498934 QZIAEMPRLFGOOV-DVECYGJZSA-N 479.621 5.747 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1810504258 XKNKMJRJWNAJAV-CYFREDJKSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(Cl)c2)[C@@H]1c1cccnc1 1813862863 UGCVDAJANVBAGR-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1 1815207712 IRIKZXHWSDKYKD-QHCPKHFHSA-N 484.666 5.017 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)sc2c1 1816628257 NXLGWUJAKMDWGN-VGOFRKELSA-N 498.612 5.575 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccccc3)n[nH]2)c1 1816963808 WPQMJTINGCSTNK-YBFNVKKMSA-N 453.546 5.056 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3cccc(C)c3)n[nH]2)C1 1817744242 PVTKFYXODAERNN-QHCPKHFHSA-N 455.562 5.052 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccccc4o3)n[nH]2)c1 1818633131 UZSBCKCWASZBSD-HTAPYJJXSA-N 467.529 5.403 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)c21 1820218948 HXWUNXSQXOEVLE-OAQYLSRUSA-N 486.963 5.046 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)n[nH]2)c1 1821048386 BMHIQUHUTIOMLD-DEOSSOPVSA-N 480.528 5.021 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821181350 JFAQTWSBLKTHRV-JOCHJYFZSA-N 491.979 5.148 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4cnccc4c3)[nH]n2)c(Cl)c1 1821277826 KRDQZMVNPAWHEQ-QHCPKHFHSA-N 484.947 5.103 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc3ccccc3o2)n[nH]1)c1ccccc1 1821404949 KRAJJIWSCXFBGX-NFBKMPQASA-N 481.556 5.054 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1821928785 PNRRITMLSCVKFY-KZULUSFZSA-N 453.345 5.374 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)[nH]n1 1822392821 GRLPPPZMIKRDMO-QFIPXVFZSA-N 493.608 5.175 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823215870 IKBIALOGNNIUMM-KOSHJBKYSA-N 487.629 5.307 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823216408 TXWVZFYDMXZJRQ-VGOFRKELSA-N 459.525 5.104 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823217542 MHXRWXOHZXHWNW-CLOONOSVSA-N 485.588 5.445 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)[nH]n2)CCC1 1823378908 RFHYXNVDGJOKIL-HSZRJFAPSA-N 471.536 5.216 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[nH]n1 1823420892 JYIOBCOIODGOLW-LJQANCHMSA-N 477.392 5.223 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1824048063 WUTIAPAQGWCKOS-LPPUWEFUSA-N 452.639 5.187 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4ccccc4o2)CC3)c1 1827698066 XWAXUYFOEXFDNX-DNVCBOLYSA-N 470.554 5.056 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)cc12 1828577495 KYHXBJLTVMRPBJ-SANMLTNESA-N 489.019 5.549 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c(C)cc2OC)CC1 1828826975 GFJNJFYEATXEOS-NOZRDPDXSA-N 452.639 5.314 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 1828903597 JKSPIVBRGCVJOR-GOTSBHOMSA-N 480.716 5.483 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1828906569 UVKFKCUPFFQQFF-DEOSSOPVSA-N 495.765 5.581 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnccc2C)CC1)c1ccccc1 1829030096 JWYYVTKPBXBANC-VMPREFPWSA-N 485.672 5.140 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573466 CPGYCFUOPGIIAA-VWLOTQADSA-N 485.628 5.855 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1 1829945389 KQWHZLCHWCSNOG-RPBOFIJWSA-N 497.680 5.006 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c(C(F)(F)F)o1 1830012923 ZCOABIGSOUUDRZ-NRFANRHFSA-N 473.495 5.026 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c(C#N)c1 1830288635 SLFYHENAPKOTEK-LJAQVGFWSA-N 495.623 5.196 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830631092 XHIKQXVWEVHELK-AREMUKBSSA-N 496.611 5.263 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830722542 MTHSSHHBFMWJEA-AREMUKBSSA-N 494.035 5.548 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830804969 OEERPDOCACKRTR-HXUWFJFHSA-N 488.497 5.159 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cc(C)ccn23)CC1)c1ccccc1 1831014039 ZVPQJTJFFWKFIU-RRPNLBNLSA-N 496.655 5.073 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1)C(F)(F)F 1831140993 GGYWAZDNPMLHKO-SFHVURJKSA-N 471.589 5.228 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1831287710 PPDVFGPECWJKAG-VWLOTQADSA-N 476.020 5.177 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1831445880 WZIDGJCGFNDOPY-CAVPUYEOSA-N 462.606 5.432 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831484075 ULWMZOXHGMFJSJ-QYBBCTCVSA-N 490.688 5.335 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)CC1 1831719236 HNBMVKZPEYLFFQ-GSPOCWLCSA-N 468.613 5.236 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831752404 HGIFBMKUMUOKSP-PKTZIBPZSA-N 464.572 5.396 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1)c1ccc(O)cc1 1831925718 JEKIHLFQNZCDLD-LBNVMWSVSA-N 498.623 5.569 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1 1832031281 HLLYYCNRQXWTSJ-KONDSOJQSA-N 491.495 5.337 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3)CC2)cc1C#N 1832703775 TYGFROGAGZGEJY-RUZDIDTESA-N 477.580 5.032 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc4ccoc4c3)CC2)CC1)c1ccccc1 1838416593 BRTVWQXOXCOESM-MUUNZHRXSA-N 498.623 5.242 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Br)ccc3s2)C1 1844060491 SOABNBSDODKVMI-SFHVURJKSA-N 473.436 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[C@@]12CN(Cc1ccccc1)C[C@H]2C 1847981381 FIJRJTYEVCLUFB-DWOZXFSFSA-N 491.720 5.119 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 10167409 DRAASCYXLZUMIO-UHFFFAOYSA-O 465.642 6.541 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179419 HBIZWICJRXYIBN-UHFFFAOYSA-O 464.463 6.573 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(SC(F)F)cc2)c1 11114099 HWKNEWPDGLAIKT-UHFFFAOYSA-O 469.602 6.137 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2cccc(Br)c2)o1)c1cccc(Cl)c1 21324108 OQGFDSPKKVGYBX-UHFFFAOYSA-N 477.771 5.191 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)n1 21480465 IREHJLNEDHVNJZ-ZDUSSCGKSA-N 454.543 5.584 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 23604216 LTBDQSDGBBJGIS-UHFFFAOYSA-O 462.426 5.343 30 20 JKED CC(C)n1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl 25763496 KKUSSMCOQTZJHE-RNODOKPDSA-N 454.427 5.368 30 20 JKED COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C(C)(C)C#N)cc3)[C@H]2c2ccccc2OC)cc1 25841157 UFTWBVFEVLABNN-LEAFIULHSA-N 497.595 5.628 30 20 JKED C=CCn1c(SCc2nnc(C)o2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 29810889 XREGICVPCYQNKU-UHFFFAOYSA-N 454.559 5.638 30 20 JKED CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC 106116205 MXSBAFWKHLEYFM-UHFFFAOYSA-N 451.910 5.757 30 20 JKED Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 108691119 CUZUHXJAPMLVAM-UHFFFAOYSA-N 468.582 5.557 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1OC 109072486 LCDRQYFRYYCJQC-MHWRWJLKSA-N 492.597 5.330 30 20 JKED CCn1c(SCC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)nnc1-c1ccc(Cl)cc1 117102145 SLLZAYXIAZPFGC-UHFFFAOYSA-N 495.914 5.162 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCOc2ccc(Br)cc2)cc1 195723952 OXWXGBCTIUWHHZ-UHFFFAOYSA-N 467.388 5.422 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCN(CCCc4ccccc4)CC3)cc2F)c1 481598954 RZVCITVPGRDJCH-UHFFFAOYSA-N 486.591 5.449 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)cc1 487326137 SFNYTFBYHAYABM-UHFFFAOYSA-N 492.608 5.739 30 20 JKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)cc1 493979536 CGSXBPKAYHDGBV-IBGZPJMESA-N 479.403 5.884 30 20 JKED C[C@H]1[C@H](C)CCC[C@H]1n1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2ccccc2c1=O 499325666 VXMXLSJTODBIAU-IEGUWTFLSA-N 460.603 5.191 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1 499775458 APBDVTAXZGLRGA-XZOQPEGZSA-N 461.359 5.836 30 20 JKED N#C[C@@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc(-c2ccc(Cl)cc2)cs1 501285057 ISNMKBUMGAUOKC-INIZCTEOSA-N 480.380 6.065 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cn3c(-c4cscn4)nc4ccccc43)c2)cc1 501482123 SMIZZEIQXZECDP-UHFFFAOYSA-N 479.565 5.444 30 20 JKED C[C@H](Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 501967531 HDGIBWFUXZIKJJ-HNNXBMFYSA-N 464.616 5.642 30 20 JKED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 503721380 BFYJYBWOWCMWIL-KRWDZBQOSA-N 476.608 5.050 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 512797071 ITMCOQBESQASMK-UHFFFAOYSA-N 463.497 5.262 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)n1 514343699 RKGCWDGXTLNLKH-UHFFFAOYSA-N 466.588 5.180 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c12 515540169 MBMKASVKRFDXHB-QGZVFWFLSA-N 456.456 5.179 30 20 JKED C=CCN(C(=O)CCS(=O)(=O)CC(C)C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 516072445 NCRSBLSTRFUOGL-UHFFFAOYSA-N 468.644 5.457 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2cc(C)no2)nnc1-c1ccc(Cl)cc1Cl 516108535 SJWTYMXPKMRNKV-KRWDZBQOSA-N 478.405 5.190 30 20 JKED C=CCN(C(=O)CCc1ccc(OC)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516464497 JHWXQSPXFRLXCW-UHFFFAOYSA-N 457.939 5.532 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ncc(Cc4ccc(C(F)(F)F)cc4)s3)CC2)c1 517117683 PTQDBMJSMMTAQK-UHFFFAOYSA-N 486.519 5.700 30 20 JKED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)Nc1ccccc1 517149658 ZCUCJCMTVYJBTN-UKILVPOCSA-N 474.992 5.187 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(F)c(Br)c1 517451769 UUEUKKQQGOTNBI-ZDUSSCGKSA-N 453.402 5.854 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 519474439 IHNVDUUMOZEGGG-QGZVFWFLSA-N 461.509 5.202 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(CN4CCC(O)CC4)cc3)cc2Cl)cc1 520586305 RBYWVKQMOQQYSN-UHFFFAOYSA-N 490.991 5.282 30 20 JKED CC(C)OCCOCc1cccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 521036884 LRMZIHWRFXETJD-GOSISDBHSA-N 455.624 5.269 30 20 JKED Cc1ccc(-c2noc(CCC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)n2)cc1F 521500368 KAOQRQUGKQWIFN-DEOSSOPVSA-N 470.504 5.077 30 20 JKED CC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 522206050 ZHLFORBOZPHILX-RUZDIDTESA-N 482.005 5.158 30 20 JKED CC(C)Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)n2)cc1 523310652 LNEWBDWXWAFGSF-UHFFFAOYSA-N 467.616 5.338 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 524279064 RJCCCJVPAVWDGJ-GFCCVEGCSA-N 453.354 5.528 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3C#N)n2CCc2ccccc2)cc1 589879111 FNKFYPLUYFWDPN-UHFFFAOYSA-N 483.597 5.189 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1nc(-c2c(F)cccc2F)cs1 591862544 UZLVHRDQVCETTC-SFHVURJKSA-N 475.476 5.470 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)c1nc(-c2ccccc2)cs1 593577826 ZSMWGAIQHWHDNC-KRWDZBQOSA-N 457.580 5.087 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 603511283 LINUGCDEHJTKQN-UHFFFAOYSA-N 473.642 5.008 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)c(OC)c1 603690798 XIEUBHHRBCQSOZ-UHFFFAOYSA-N 488.544 5.183 30 20 JKED Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c2cnn(Cc3cccs3)c2n1 603995985 XDSVLYTTXLIVSR-UHFFFAOYSA-N 492.564 5.226 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 604100752 PBZBBXBZSSDTTF-QZTJIDSGSA-N 485.544 5.697 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 604126748 UYCBLCJRYHYJBC-XMMPIXPASA-N 490.604 5.286 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 608995609 TYMIKNXVQQBRQV-QHCPKHFHSA-N 451.885 5.748 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(I)cc3Cl)cn2)cc1 609056496 ALIZWTAZJGSQHM-UHFFFAOYSA-N 475.673 5.256 30 20 JKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609061385 PUNQHQNCHLBDNU-MHZLTWQESA-N 491.547 5.639 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 609084067 PXQYYBWOMAECLG-QGZVFWFLSA-N 492.373 5.024 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Oc4cccc(F)c4)c4ccncc34)cc2)c1N 609111547 MGPVVOGOWQIUIU-UHFFFAOYSA-N 464.460 5.058 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 609222055 PXFWAKNYVLWAGG-LJQANCHMSA-N 456.546 5.272 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)nnc1-c1ccccc1F 613906575 NVKHHCAMHPATEE-UHFFFAOYSA-N 495.605 5.442 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1-c1cccc(C)c1 614508116 NHNBZPXPPODRDS-UHFFFAOYSA-N 475.643 6.181 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618543161 OHOVFJFWSVHVEJ-OCAPTIKFSA-N 472.279 5.484 30 20 JKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 620304456 AEKRZXPANHYDQO-OAHLLOKOSA-N 489.532 5.888 30 20 JKED C=CCN(C(=O)c1cc(-c2cccnc2)on1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 643111134 XXMBBFXRNXVTEM-UHFFFAOYSA-N 464.550 6.360 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 726075030 ZGWKXKNOYNLGTP-MUUNZHRXSA-N 452.602 5.514 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 726399249 MZKXUZADCBUGAU-VLIAUNLRSA-N 477.989 5.173 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cscn1)c1cccs1 726418811 BEFSBOCXCOLHES-XNHVBAIZSA-N 491.063 5.448 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S/C1=N\[C@@H](C)c1cccs1 726422244 UTKHOFGXYMTEQE-PGJBSSEZSA-N 480.999 5.110 30 20 JKED COc1ccccc1NS(=O)(=O)c1cc(NC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1C 726435370 RBXPGZVTSGVWPL-UHFFFAOYSA-N 487.006 5.138 30 20 JKED N#Cc1ccc(-c2csc(NS(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)n2)cc1 727242114 QVGBHIALZFQGRS-UHFFFAOYSA-N 459.499 5.012 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2)c1C 727252913 UAITVZCQJNSLDG-JOCHJYFZSA-N 496.036 5.334 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 727589119 JMSCNZGJTQJRJU-AREMUKBSSA-N 452.558 5.077 30 20 JKED CCOc1cc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C 727685157 BUYKKOXAZZDOLJ-UYPHOHSBSA-N 494.588 5.416 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cs1 727685542 REZNBJWJOSFEDG-GDNBJRDFSA-N 490.531 6.581 30 20 JKED CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728121536 IVVMQIAVFVVFPS-QFIPXVFZSA-N 451.958 5.224 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3csc(-c4ccc5c(c4)OCO5)n3)SC2=S)cc1Cl 728609960 BXYFCCWEMDPAGC-FXBPXSCXSA-N 483.983 5.470 30 20 JKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1Br 728668583 ZDOIGXLFCYFIJM-HNNXBMFYSA-N 465.303 5.297 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)c1 728776371 QAPYAWKOHVHMKF-QHCPKHFHSA-N 462.619 5.574 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3scnc3C)C2=O)cc1 729144637 WNFLTLSLHYABTM-OAQYLSRUSA-N 492.626 5.123 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc3n[nH]cc3cc2C)ccc1Cl 729369002 SFWDLEFUCJMWNX-UHFFFAOYSA-N 480.977 5.158 30 20 JKED CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 729558901 DWGQQHBKMADGDT-QHCPKHFHSA-N 478.593 5.195 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccc(C#N)cc3F)C2=O)cc1 729819020 SIFAPCKVUJSGLA-QHCPKHFHSA-N 490.535 5.305 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(C3CCC3)C2=O)cc1Cl 730463102 SDEUDXXHIDBSMH-HXUWFJFHSA-N 452.967 5.033 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 730690298 SDDAGQJRAPWXJR-AOMKIAJQSA-N 453.395 5.706 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730943254 ALYVPOSBUJEARW-YADARESESA-N 472.614 5.043 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCOCC2CC2)C1=O 730943522 FBLFIOOONPOKEJ-OAQYLSRUSA-N 490.000 5.174 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccn2)cc1 731304955 CVXMLRFNXFWULI-DEOSSOPVSA-N 488.613 5.290 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731311366 ALERRSIPKQQGFH-AZGAKELHSA-N 498.608 5.621 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 731312702 OIQQPCBMNLSRFD-MHECFPHRSA-N 488.613 5.632 30 20 JKED CC(=O)Nc1cccc(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)c1 745867849 OEUWHJCNGBBQGP-QHCPKHFHSA-N 474.542 5.480 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc3ccccc3[nH]2)C1=O)NCc1ccccc1 746698006 RNBSEQAHSCLPOT-DEOSSOPVSA-N 486.572 5.145 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1ccc(F)c(Cl)c1 747601997 XODQFOSIBNWZIO-GOSISDBHSA-N 474.970 5.096 30 20 JKED C=CCN(C(=O)COC(=O)c1ccc2nccnc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747920243 VFOWMZUZWLCHFY-UHFFFAOYSA-N 499.379 5.436 30 20 JKED Cc1nc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nn1-c1ccccc1C(C)C 750208869 UHUNUJINXMIJKO-MRXNPFEDSA-N 491.617 5.085 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2ccsc2)C1=O)NC1CC1 750908506 APPOFPVWEUMQOP-QFIPXVFZSA-N 461.612 5.216 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(CC(F)(F)F)C2=O)cc1 799215589 NMLBKNLQNZAYKR-LJQANCHMSA-N 477.508 5.029 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c1 799216681 FSSJOADZLZAGBC-LJQANCHMSA-N 463.525 5.443 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 837713588 YAMWDCFIMAQDNW-QVKFZJNVSA-N 482.968 5.596 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C2CCOCC2)n1 856614172 NNXAUSRHRSYSPC-JOCHJYFZSA-N 462.981 5.919 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cccnc1 857706162 RZWHDQDJPLBYEU-QGZVFWFLSA-N 471.611 5.836 30 20 JKED CC(C)(C#N)c1ccc(-c2nc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nc3)no2)cc1 904643285 WDUGPIVESLVFNE-UHFFFAOYSA-N 468.536 5.065 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)Cc1ccco1 914690178 MCICLKDELKHLJW-AOMKIAJQSA-N 481.549 5.019 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916206114 OFWJRGWNXXKLMB-LJQANCHMSA-N 490.944 5.290 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(C[C@H]3CCCO3)C2=O)c1 916208118 UJLSDELKNWNKOW-OFNKIYASSA-N 465.619 5.060 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)cc1OC 916208455 GDPJLONMVUJHEJ-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccccn3)C2=O)cc1 916209270 IGTQHWOIFGOFIL-QFIPXVFZSA-N 495.004 5.294 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC2)C1=O 916211484 OFFGZTQVCNUNHS-HXUWFJFHSA-N 457.983 5.252 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC2)C1=O)Nc1ccc(F)cc1F 916213472 DQVVKYYOYNLKAO-KRWDZBQOSA-N 470.328 5.394 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2ccco2)C1=O 916217109 FNTMOJHDPRIUIM-JOCHJYFZSA-N 463.559 5.066 30 20 JKED COc1cc(C=NNc2ncc(C(F)(F)F)cc2Cl)ccc1OCc1c(C)noc1C 916541518 ZNDJDICBDLGISO-UHFFFAOYSA-N 454.836 5.392 30 20 JKED N#C[C@@H](C(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1)c1ccc2ccccc2n1 916849547 XUYPVSLMKIVUFF-ATIYNZHBSA-N 498.380 5.274 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OCC)c1OCC 916943317 VZSBBTRHYDITNS-QGZVFWFLSA-N 465.333 5.151 30 20 JKED COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1c(C)noc1C 916972180 KOUZBWLVXLLALM-ICKBMGCOSA-N 499.592 6.201 30 20 JKED C=CCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1 916997208 TVJJNEUTZSNWKK-KRWDZBQOSA-N 473.381 6.109 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3c(Cl)cc(Cl)cc3C2=O)cs1 917560295 KZXKXSRMTFISBE-SDQBBNPISA-N 463.317 5.932 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc(C#N)cc1 917664678 LHXFAZGRHAOUHT-QHCPKHFHSA-N 490.535 5.305 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cn1c(C)c(Br)c2ccccc21 918487526 OFEIMHSEFCUNBE-OAHLLOKOSA-N 488.769 5.030 30 20 JKED N#Cc1c(COC(=O)Cc2csc(-c3cc(Br)cs3)n2)cn2ccccc12 919557754 JEOXBRXTKKVWIH-UHFFFAOYSA-N 458.362 5.044 30 20 JKED COc1ccc(OCc2nc(/C=C3\CCOc4cc(Br)ccc4C3=O)cs2)cc1 920065612 ANKDSNMLGZDCIH-GXDHUFHOSA-N 472.360 5.542 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2c1C 920267387 HDUOOPQQIWICGI-OAHLLOKOSA-N 451.602 5.185 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920323285 HTOQBODDRDHPKK-NQIIRXRSSA-N 484.408 5.527 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cs1 920510040 SEJGNZYLRKJPEX-CQSZACIVSA-N 489.475 5.229 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 920975684 UXXWTHCUKPPGJQ-SFHVURJKSA-N 456.502 5.498 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 920983569 LRSHGIATEDVJGA-IBGZPJMESA-N 490.398 5.311 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccccn2)cc1 935540537 JRTHSOTWNCPTOX-DEOSSOPVSA-N 472.614 5.043 30 20 JKED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)C1 1781457072 QAJZBTQFINDPHM-GGXMVOPNSA-N 494.582 5.097 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)cc4F)CCC3)cc2)C1 1785803827 YKTQEHRRNKTKRF-UHFFFAOYSA-N 457.343 5.302 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(C(F)(F)F)o1 1787398613 WZFRTZLGNCQTFQ-UHFFFAOYSA-N 481.474 5.734 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)CC[C@@H]4CNc5ccccc5C4)cc3)CCC2)cc1 1788066239 CTRRZAQLOMFHEP-DEOSSOPVSA-N 492.623 5.299 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4c(Cl)cccc4s3)[C@H]2C1 1788073037 UWZVOAJQIVHXFE-QRFRQXIXSA-N 475.054 5.140 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4occc4Br)cc3)CCC2)cc1 1788719402 ZZGRHHXUJWZZSC-UHFFFAOYSA-N 478.346 5.170 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccccn34)cc2)CCC1)c1ccccc1 1788927406 QZHLOCWTEMEGGG-AREMUKBSSA-N 490.607 5.588 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789154827 SQUFGJXSACRFEB-WRRYFKGYSA-N 479.024 5.049 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn(C)c5ncccc45)cc3)CCC2)c1 1789400256 VPXJVXPVHAIKOC-IBGZPJMESA-N 477.568 5.262 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1789448515 BFLYJHBFYQNRQB-BJKOFHAPSA-N 495.664 5.582 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-n4cncn4)c3)CCC2)cc1 1789625518 HQOPZRXIWLMYJE-UHFFFAOYSA-N 457.578 5.007 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(C)=O)c(O)c3)CCC2)cc1 1789625595 JZYXNUPSXZYQDS-UHFFFAOYSA-N 463.578 5.091 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)Cc4c[nH]c5ccccc45)CCC3)cc2)c1 1790074420 VZDXWDRBPXPUHF-UHFFFAOYSA-N 478.552 5.039 30 20 JKED Cc1nc(CC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c(C)s1 1790081993 XYVMZYNNAOUCEY-UHFFFAOYSA-N 479.005 5.275 30 20 JKED COc1cccc(OC)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1790239600 TYCXNPFQSQDFBE-LJQANCHMSA-N 483.568 5.392 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5cc[nH]n5)cc4)CCC3)cc2)c1 1790258846 QIXFIRNRIVZINU-UHFFFAOYSA-N 461.525 5.010 30 20 JKED COc1cc(F)cc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790708665 MBCFYMVXTUBZHH-LFYBBSHMSA-N 483.543 5.361 30 20 JKED C/C(=C\c1cccnc1)C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(C#N)c3)cc2)CCC1 1790795552 OBRDDOHJJFMQEX-HMMYKYKNSA-N 450.542 5.113 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(OCc5ccccc5)ccc4O)cc3)CCC2)CC1 1790807879 QMMXYCSDRFHNRG-UHFFFAOYSA-N 481.552 5.023 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)CCC2)cc1 1791253681 FJHSWPJLBHJBFC-NFBKMPQASA-N 495.664 5.370 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1)C(F)(F)F 1791303584 XFBQABXWDLCLKU-IBGZPJMESA-N 495.542 5.029 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)c1 1792150397 HDQJPQHLGWKWMJ-UHFFFAOYSA-N 489.959 5.047 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3c(F)ccc(Cl)c3F)cc2)CCC1 1792160403 ZYIMIVXAOCXMLC-XODNFHPESA-N 471.891 5.078 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1792204434 VKNSCIZWSOHEIG-XYWHTSSQSA-N 469.626 5.170 30 20 JKED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1793609454 FVVGGINHSIFBJK-LMMUWCHVSA-N 473.642 5.108 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2Cl)N(C)C)[C@@H]1c1cccnc1 1802500135 KSFHWFVPYJVCOA-GPUOULLFSA-N 497.083 5.036 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1803079350 MCFASCMKKXLSTG-ABYGYWHVSA-N 483.612 5.088 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1803086915 PBUKOXRRKFQZSF-UPVQGACJSA-N 496.449 5.241 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](c2ccccc2)C(C)C)C3)cc1C#N 1803839794 CWRFJFRTAZSDJU-SFIUMABJSA-N 473.617 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(C)cccc3[nH]2)[C@@H]1c1cccnc1 1809805147 NPUSMDYJYMVQPZ-BWKNWUBXSA-N 458.606 5.183 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4cc(F)ccc4s3)[C@H]2c2cccnc2)cc1 1809848015 MATZJLKNUPBIFB-HFZDXXHNSA-N 498.583 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1810175131 SPBXKEXICVHMLB-KJYTXNCISA-N 486.660 5.160 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc4c(C)snc4s3)C2)CC1 1810524453 JKCKPZLCFGKSAB-SFHVURJKSA-N 457.665 5.279 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)CC1 1811364662 FGTNGMYGPFGTCT-BDYUSTAISA-N 472.633 5.074 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cc(OC)cc2C)[C@H]1c1cccnc1 1811633198 OAVPDMDUDFLUFF-WIOPSUGQSA-N 463.622 5.019 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1811850805 UUZQRMIRCFVVEG-XTEPFMGCSA-N 487.720 5.330 30 20 JKED Cc1cc(C)cc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1811881881 SEFMOAODZCQYRG-SHQCIBLASA-N 475.709 5.069 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1812113383 BTHFEZBOFQTARF-NLFFAJNJSA-N 491.035 5.595 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@@H]1c1cccnc1)C(F)(F)F 1812676665 BPBIASFUIPWDRR-KEIZBESESA-N 473.539 5.036 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)[C@H]1c1cccnc1 1813055909 BBJYVOFYQCQBAH-SVEHJYQDSA-N 476.580 5.193 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1813228627 DETCTSQYGBDYNX-RLWLMLJZSA-N 486.443 5.221 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3cc(F)cc(F)c3)[nH]n2)C1 1814393870 NCDMLTJCRZCABC-QFIPXVFZSA-N 477.515 5.022 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCC(F)(F)CC3)n[nH]2)c(Cl)c1 1815021870 VQVBMGDBGSKBOC-IBGZPJMESA-N 475.927 5.066 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cccc4ncccc34)n[nH]2)c1 1815181743 XTKWMYYUNSHOSM-BCHFMIIMSA-N 492.583 5.134 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)s2)n[nH]1 1815731324 SDRZSMKQIKUPKY-LJQANCHMSA-N 491.133 5.411 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(Cn3ccnc3)cc2)n[nH]1 1815799932 OGAUPPUAPYTMIS-ZUSJUXBOSA-N 498.631 5.128 30 20 JKED CC[C@H](C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2ccccc2C#N)[nH]n1)c1ccccc1 1816848709 IBXZTHPIDUSWKM-VGKYISKLSA-N 499.615 5.182 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213452 RHMMRHDLYRNQFO-FQEVSTJZSA-N 495.546 5.100 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(-c3ccccc3)n2)n[nH]1 1818363268 ZZLRCFRCOCXLIA-OAQYLSRUSA-N 461.591 5.033 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3sc(C)nc3c2)n[nH]1 1818701885 YATVRRNLJKFQAJ-GHTZIAJQSA-N 463.607 5.402 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CC(c4ccccc4)(C2)C3)[nH]n1 1819311062 JUUJUXZBIAXTTC-MYVBKLJSSA-N 458.606 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)[nH]n1 1819555894 IKQDRLBXSBEPOW-RJWMVNQGSA-N 491.680 5.524 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)cc1 1819964339 WPJNULVISWFHQD-KRWDZBQOSA-N 488.400 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(SC)c2O)n[nH]1 1820195644 XQRUVKJGWWNTLR-SFHVURJKSA-N 456.612 5.136 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)n[nH]1 1821238976 IXMVPSPYDAPARY-DEOSSOPVSA-N 480.572 5.062 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccoc3Cl)[nH]n2)cc(C(F)(F)F)c1 1821310408 UGCPHJCEAKGMOB-KRWDZBQOSA-N 491.857 5.166 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)n[nH]1 1821338840 AUFHXXPPJRKDKX-GOSISDBHSA-N 465.381 5.386 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](C)Oc2ccccc2)n[nH]1 1821783877 FWEMRTCORYRUGI-LSWJPFSZSA-N 450.583 5.028 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1821986039 ONSHCPYRFIWBTE-NRFANRHFSA-N 479.531 5.297 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2OC)n[nH]1 1823253994 ZSHLDCVHCKEZDT-HXUWFJFHSA-N 456.974 5.146 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2Cl)CC1)c1ccccc1 1823621575 TYGLSFOUITWSCP-NOZRDPDXSA-N 478.036 5.166 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)C1 1823701562 NFFILKWIUYTAEP-DEOSSOPVSA-N 451.998 5.088 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1827356248 SDVUQXUFNYKEIA-QHCPKHFHSA-N 498.549 5.304 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc4c3CCCO4)CC2)c(Cl)c1 1827387147 DHVSLJRKBGIGMN-QHCPKHFHSA-N 498.048 5.145 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)CC1 1827650493 CUSRPKSTGGHEDN-OALUTQOASA-N 467.532 5.004 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2Br)CC1 1827769904 AXDRHYNIKWFYHV-UYAOXDASSA-N 463.416 5.044 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)c1 1828155941 MJGCQEJPYUMISB-QHCPKHFHSA-N 493.579 5.598 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1828741248 INKRBEQWIOTBAL-VWLOTQADSA-N 489.019 5.169 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cnc3Cl)CC2)c1 1829200820 SYBDFJNHLUBEDY-SBUREZEXSA-N 482.987 5.048 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)cc1 1829455138 IBRMIPRXPJYYMS-JOCHJYFZSA-N 485.415 5.002 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829569882 DLSKHMJBGLJNLU-GJZUVCINSA-N 493.673 5.411 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1 1830361221 INRYCFKQHIBKDD-MHZLTWQESA-N 475.608 5.297 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830805858 JPLISMGOGROTLV-VWLOTQADSA-N 479.571 5.415 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2onc3ccccc23)CC1 1830924609 RHFCCFSHAQHVHN-XMMPIXPASA-N 479.697 5.112 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1831447458 UQROCMORTWHCNI-LJQANCHMSA-N 476.461 5.289 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=N/N3CCCCC3)CC2)cc1 1831750444 GAEGADZGCCPMCO-LLJYRHCUSA-N 494.724 5.053 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc1 1831750569 HKPYGMXGZKUBAI-MHZLTWQESA-N 474.649 5.095 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1832548866 WZXGYIJUDYOXFX-JOCHJYFZSA-N 467.972 5.206 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1 1832632791 VNQCASJGVZERJW-RBTNQOKQSA-N 480.612 5.409 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)c3ccccc3)CC2)cc1C#N 1832900372 NBBKOBZKVXYBPZ-CUNXSJBXSA-N 487.644 5.382 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CC1 1838799605 BATVHSRCIFXTKF-UHFFFAOYSA-N 499.866 5.453 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2ccc(CC)cc2)c1C 10173636 LWTMJUMUUYLAJA-UHFFFAOYSA-O 478.638 5.271 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccccc2CC)c1C 10174406 NDXTZLZNIKKDJK-UHFFFAOYSA-O 478.638 5.271 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc(Br)c2)cc1 11084665 QKNYNFAKEVZJMH-UHFFFAOYSA-O 480.860 6.065 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c1C 11159967 MZSOPJORUITXNQ-UHFFFAOYSA-O 491.420 5.453 30 20 JKED CC(=O)N(c1nc(COC(=O)c2ccc(C#Cc3ccccc3)cc2)cs1)c1ccccc1F 11257403 MIMOHMVGRLLLQU-UHFFFAOYSA-N 470.525 5.724 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(COc3ccc(F)cc3)o2)n(C2CCCC2)c1C 11668432 DONPDVRAZBPLQH-UHFFFAOYSA-N 479.508 5.198 30 20 JKED O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 14866676 YNJYQCVWDHOHIW-VWLOTQADSA-N 493.654 5.410 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 15029413 AXTHXDVNPFZWOU-UHFFFAOYSA-N 465.962 5.040 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 16628355 CAALMMGDFBOLPS-UHFFFAOYSA-N 491.642 5.416 30 20 JKED C=CCOc1c(Br)cc(CNCc2c(C)nn(-c3ccccc3)c2C)cc1OCC 17318787 GAWIKUQRSKBWDU-UHFFFAOYSA-N 470.411 5.505 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 22082698 AKZNHJCMXHFTEY-LJQANCHMSA-N 495.624 5.292 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccc(Cl)cc2)cc1 22129163 ZSKIEMZHZPCMAA-FYSMJZIKSA-N 484.025 5.131 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1 23603232 JIYIBOZCCXXEDB-NRFANRHFSA-N 499.615 5.868 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2scc(-c3ccccc3)c2c1=O 23631975 IWPNYDXTFRIPPP-HNNXBMFYSA-N 472.595 5.401 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)n1 24284382 SXRGIQLLNJYJMD-INIZCTEOSA-N 455.505 5.667 30 20 JKED C=CCn1c(SCC(=O)NCc2cc(C)ccc2OC)nnc1-c1ccc(Cl)cc1Cl 25926485 KUBZBMQMPBQWTO-UHFFFAOYSA-N 477.417 5.163 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 28793556 XALOTRLRGJKSTG-UHFFFAOYSA-O 490.693 6.693 30 20 JKED C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 60036176 ZUDMLLYZWMTUME-AWEZNQCLSA-N 459.855 6.462 30 20 JKED CO/N=C1\CCc2cc(-c3nc(-c4ccc(OCCN(C)C)cc4)[nH]c3-c3ccncc3)ccc21 91302000 KYSZSACCZCQBOT-WGPBWIAQSA-N 467.573 5.043 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 106116112 VCZCSTFULNIEFP-UHFFFAOYSA-N 490.519 5.222 30 20 JKED COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1NC(=O)c1cccc(F)c1 107640165 QEONLCYKTMJSRZ-UHFFFAOYSA-N 465.484 5.878 30 20 JKED C=CCOc1cccc(NC(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)c1 108870055 PRVLBXKANCDSQR-IBGZPJMESA-N 453.391 5.048 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)nnc1-c1ccccc1F 218660752 DCNHWQPEWKYYST-OAHLLOKOSA-N 467.595 5.019 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(-c3nccs3)cc2)c1 255951039 DTGYGMGNFFIJBP-UHFFFAOYSA-N 470.579 5.665 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1occc1COc1cccc(C#N)c1 303098333 BGABHKDVXGGTAS-UHFFFAOYSA-N 491.853 5.113 30 20 JKED CCn1c(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)nc2c(F)cccc21 303125164 ABNVCUMBDKUTLX-UHFFFAOYSA-N 455.518 5.058 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(Br)ccc2I)cc1 303238249 ZUAKUVSEHMGOSP-UHFFFAOYSA-N 499.146 5.013 30 20 JKED Cc1ccc(Oc2ccccc2NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 480217402 USMLBYMCWGHQDU-UHFFFAOYSA-N 454.530 5.542 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)cc2F)c1 481713446 NWHMMHCUFZQSMM-DEOSSOPVSA-N 459.521 5.489 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Br)ccc3F)s2)c(C(F)(F)F)c1 487414736 BINDNDVQZZOOMP-UHFFFAOYSA-N 484.272 5.778 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 488025932 VXLJLUBSTPEZKP-UHFFFAOYSA-N 453.473 5.385 30 20 JKED CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1Cl 489541527 SXIDMDQEFNSCSI-UHFFFAOYSA-N 476.341 5.281 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCN(C(=O)CCCc4ccccc4)CC3)c2)cc1 501128003 DJARUVISCHAFEY-UHFFFAOYSA-N 496.611 5.031 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 501751844 MULAJVRVQYJCDJ-UHFFFAOYSA-N 457.533 5.609 30 20 JKED C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1 503795513 KXRAYTWRPHCWOK-NRFANRHFSA-N 474.580 5.111 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 504796054 JWBFXBZAQKWMBT-NDEPHWFRSA-N 464.569 5.190 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSCc2cc(-c3cccs3)on2)cc1 505709014 JVBZQGBFUFHJAG-UHFFFAOYSA-N 477.567 5.948 30 20 JKED O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1nnn(-c2ccccc2F)c1C(F)(F)F 508777610 JADWJPDVEYLQBE-UHFFFAOYSA-N 475.349 5.306 30 20 JKED CCN(CC)[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccsc1 511504935 LJICYIPSPFVKCE-HSZRJFAPSA-N 461.591 5.077 30 20 JKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccc(C(F)(F)F)cn1 513203067 XJDGBFGUEOYJNZ-KRWDZBQOSA-N 452.461 5.564 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1 516114154 PJMGRGVOIHIZPN-UHFFFAOYSA-N 469.541 6.107 30 20 JKED CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517321378 GMYLJRYGOOLYSN-QFIPXVFZSA-N 461.949 5.038 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccccc2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 518174577 IAJKNPHSFLTAEH-UHFFFAOYSA-N 456.527 5.922 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 518906537 WNGVCEQKIOEYPJ-UHFFFAOYSA-N 464.569 5.399 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 519492865 HUANDWFHHLTIGF-UHFFFAOYSA-N 493.567 5.150 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCSc2ccc(F)cc21 520429821 WOEXERWUJDFLEH-QFIPXVFZSA-N 461.518 5.090 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)s2)c(C(F)(F)F)c1 521312196 UYFACOZRTNRGMI-JOCHJYFZSA-N 498.530 5.317 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 521809771 ISYOTHJQYZMQFR-KNQAVFIVSA-N 454.599 6.516 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 524413624 MGLRQHYPHSWWKQ-UHFFFAOYSA-N 468.557 5.328 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cc(Br)ccc2F)c1 551825299 DBOQMCYMTLMOQE-UHFFFAOYSA-N 498.377 5.121 30 20 JKED C=CCn1c(SC[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)nnc1-c1ccncc1 588635092 MSMYDHKYFHMYJU-GOSISDBHSA-N 459.015 5.143 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)cc1 589831135 VXKYYYKRZZGIML-AREMUKBSSA-N 480.589 6.401 30 20 JKED C=CCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1ccc(Br)cc1 603562712 LYGJUEWFAPYSGV-UHFFFAOYSA-N 499.350 5.144 30 20 JKED Cc1ccc(CSCCNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604135545 QNXFDEKHLWXRTJ-HSZRJFAPSA-N 478.017 5.292 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)c(OC)c1 604326469 BEFLSRKBGLDWAL-UHFFFAOYSA-N 486.568 5.183 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)c1C 604445267 QAGVXLATCCDKND-QGZVFWFLSA-N 492.507 5.249 30 20 JKED CCn1c([C@H]2CCCN2C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nc2ccccc21 608797627 KBNFKECOBZLWMJ-RUZDIDTESA-N 479.540 5.022 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609073200 ZPZHIFMWHWSQAQ-UHFFFAOYSA-N 484.581 5.371 30 20 JKED N#CCn1c(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)cc2ccccc21 609216166 CTQCECZQUVAVLE-UHFFFAOYSA-N 494.370 5.012 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCSCc1cccc2ccccc12 609403218 DRVPGZAPFDHYJQ-SFHVURJKSA-N 463.628 5.080 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 615757047 CLIKBDNOXHGFJY-UHFFFAOYSA-N 461.375 5.034 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC(c1ccc(F)cc1)c1ccc(F)cc1 619386724 HHYAEOXSACQWFE-HUUCEWRRSA-N 480.399 6.263 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 622332655 URPQDHHZMJXYSS-UHFFFAOYSA-N 462.409 5.600 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)N(C)C1CCCCC1)C(C)C 639394212 HHHNFPRIPWDFEN-QFIPXVFZSA-N 460.619 5.090 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(-c2ccc(C(F)(F)F)cc2)n1 644985028 GEBGTQSBLMJMCR-UHFFFAOYSA-N 493.624 5.927 30 20 JKED CC[C@H](C)C(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)C1 726322744 XBBDZVMRRVVMFW-ZBFVOMTISA-N 453.652 5.072 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC[C@@H](C)OC)cc1 726393640 QCVIXVSOLVROHL-HOYKHHGWSA-N 491.613 5.234 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(OC(C)(C)C)cc1)c1cccs1 726414910 DGGYKHKXMYVZSE-XEUQCIHBSA-N 485.675 5.155 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(CC2CC2)CC1)c1cccs1 726421875 QFXUZQYQKTWDQB-HOSTVDGGSA-N 496.702 5.012 30 20 JKED N#Cc1ccc(NC(=S)NCC2(c3ccc(Br)cc3)CCOCC2)cc1Cl 726488724 AUBRMDDMPLBFRI-UHFFFAOYSA-N 464.816 5.009 30 20 JKED Brc1ccc(NN=Cc2cc(Br)ccc2OCc2ccccn2)nc1 727265870 ASVVGQXSPJKYSV-UHFFFAOYSA-N 462.145 5.027 30 20 JKED C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 727984894 VTODUIUIJIJTBI-IBGZPJMESA-N 465.509 5.474 30 20 JKED Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 727999224 KYHIPGSGSUHTOU-UHFFFAOYSA-N 461.880 6.146 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 728029101 WTFOYCFGUMOHKO-UHFFFAOYSA-N 469.472 5.682 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 728427945 LUSWPZSSIOZQSN-UHFFFAOYSA-N 493.614 5.178 30 20 JKED CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1 728667767 AQFIDJZPMWWCOB-UHFFFAOYSA-N 497.429 5.123 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cnn2ccccc12 729661329 COGXYAGSZYWFJJ-QFIPXVFZSA-N 462.962 5.316 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C)c(F)c1 730535117 HHTUWAKGJFUUDM-GOSISDBHSA-N 497.564 5.056 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccc(Cl)cc1 730686640 OGCANMSTDXCROO-CQSZACIVSA-N 451.857 5.249 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2cocn2)C1=O 730711492 CVKLZOPNFVGDCP-HSZRJFAPSA-N 492.601 5.241 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730943881 MANTUHCXWAOTNJ-FDDCHVKYSA-N 476.577 5.559 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 731060624 ZOHFJZQESNIRHW-LBPRGKRZSA-N 462.955 5.741 30 20 JKED CC(C)c1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c12 731070321 KVNQMEGKAWCCNU-OAHLLOKOSA-N 478.574 5.271 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C 731287684 HPYCOXHBIDIEHA-RUZDIDTESA-N 477.568 5.329 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O)Nc1cccc(O)c1 731304525 STZNEDWQXHXDMN-SFHVURJKSA-N 477.558 5.220 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1oc2ccccc2c1CSc1cccs1 742979771 AYAAJSDOJKICIF-UHFFFAOYSA-N 454.554 5.515 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3ccccn3)C2=O)cc1 743523856 DTIRMVCBLOVGFW-HSZRJFAPSA-N 492.576 5.088 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cscn1 747602202 JWNCZJFGURKDHM-FQEVSTJZSA-N 468.579 5.005 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCCCCn1c(S)nc2ccccc2c1=O 785450516 AIMOQOLSIGLTQI-UHFFFAOYSA-N 462.040 5.175 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1c(C)cccc1C 799211215 OLMJXZJUUQDWJC-QGZVFWFLSA-N 460.397 5.046 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CC(F)(F)F 799213286 RYBXODIFCSVQGK-INIZCTEOSA-N 491.869 5.449 30 20 JKED COc1cccc(C2CC(=O)C(=CNNc3ncnc4scc(-c5ccc(F)cc5)c34)C(=O)C2)c1 814318281 ICPLNVYZDQIHGO-UHFFFAOYSA-N 488.544 5.022 30 20 JKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 824940875 DFIRLYYBCQYAEJ-JKSUJKDBSA-N 462.575 5.362 30 20 JKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2nc(O)[nH]c2c1 834826084 ASWMTIXYEZWYBD-RUDMXATFSA-N 452.297 5.724 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837775794 MQMLPXARCDPWQQ-HXOBKFHXSA-N 492.576 5.341 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2cccs2)C1=O 838227854 NUUAJAJXXCSMJJ-NRFANRHFSA-N 483.590 5.365 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2OC)cc1 838484516 HCLODEHAXVWPIM-QHCPKHFHSA-N 493.560 5.003 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccc2F)C1=O)Nc1ccccc1F 838545878 KLKLETFQEFSHCH-NRFANRHFSA-N 487.478 5.404 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)o2)cc1 855252990 VPPNDBZCGDGMTB-OAHLLOKOSA-N 458.490 5.074 30 20 JKED CCN(C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)[C@H](C)c1ccc(C#N)cc1 914509563 QEALLRGQAUOSAV-HXUWFJFHSA-N 466.537 5.775 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 914537937 GQLDYKYJXTWLHQ-FQRUVTKNSA-N 494.620 5.634 30 20 JKED COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 915103193 QSRPLHCQGUAGTQ-MRXNPFEDSA-N 489.380 5.973 30 20 JKED CC(C)(C)NC(=O)c1cccc(N=Cc2cc(Br)cc(Br)c2O)c1 915981175 NHQYIOZHCGAFDE-UHFFFAOYSA-N 454.162 5.196 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(C2CCCC2)C1=O 916204946 GACLKEDEQUOCIS-FQEVSTJZSA-N 475.973 5.391 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)cc1 916212131 UKDWQFDTEUNPHP-JOCHJYFZSA-N 481.524 5.134 30 20 JKED Cn1c([C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)nc2ccccc21 916844096 VRRAJZWAMMWMFC-NRFANRHFSA-N 454.480 5.809 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc2ccccc2s1 916846053 FWDZCHADRVVNJI-OAHLLOKOSA-N 454.374 5.601 30 20 JKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)CCc1ccc(C#N)cc1 916879077 JFWZCHWRGWCPMF-UHFFFAOYSA-N 450.494 5.511 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(SC(F)F)cc1 916885719 AXLCTEWSEJGOEV-KRWDZBQOSA-N 477.945 5.668 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916885782 BMAJAIJSFYFIRD-INIZCTEOSA-N 486.521 5.462 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 916888828 ZUUCAXZSFJYEBG-GOSISDBHSA-N 499.587 5.894 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 916906572 DUWKMAYSSRNVII-QFIPXVFZSA-N 462.509 5.114 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccccc4Cl)cc3)o2)cc1 916911186 UTYLGNHLYSFQOG-IBGZPJMESA-N 456.889 5.327 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928341 YQHLFUKHTQWIPH-DFICIIQISA-N 461.654 6.026 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916933646 HHJPRJCSLGDGKP-LJQANCHMSA-N 482.323 5.215 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1Cl 916938894 OSWWULWDZFZJDU-OAQYLSRUSA-N 474.900 5.635 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1 916943441 WZJAAUDBZDSZOP-CQSZACIVSA-N 450.372 5.377 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc(C3CC3)nc21 916944852 OMCPXAXNQXLUAH-KRWDZBQOSA-N 456.333 5.158 30 20 JKED N#C[C@@H](C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995972 JBBHPCBXQFXYDM-AWEZNQCLSA-N 479.772 5.960 30 20 JKED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 917034669 MLNSCBSNOPNULA-XMMPIXPASA-N 479.001 5.322 30 20 JKED CCOc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(F)c3)=C2C)cc1 917379209 ZKCHBMXUHPWGJX-VWLOTQADSA-N 486.572 5.445 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cc3ccccc3o2)C1=O 917657598 FQQVTAWEWRIXHY-GOSISDBHSA-N 462.358 5.007 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc2ccccc2c1 917698889 LJGMEDMQLJWLAL-HSZRJFAPSA-N 475.570 5.003 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 918322696 JQYLACLJYBVMPK-OAQYLSRUSA-N 463.990 5.548 30 20 JKED O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918735260 GMDILXHTMYNPHN-YUMQZZPRSA-N 455.233 5.089 30 20 JKED COc1cc(/C=C(\C(=O)OCC(=O)N(CCC#N)c2ccc(C)c(C)c2)c2ccccc2)ccc1O 919168534 FLFWLIJWJUTCDO-UQQQWYQISA-N 484.552 5.048 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)c(F)c2)c1 920353425 JHHBPWHQOXZOIM-QFIPXVFZSA-N 499.514 5.273 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(C(C)C)cc2)no1 920353750 RKHXMVOCZMIARM-JOCHJYFZSA-N 498.555 5.545 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(C[C@@H]2CCCO[C@@H]2c2ccccc2)C1=O 920360367 XNBLFQCDUPFYCN-UMXIMWEHSA-N 479.646 5.046 30 20 JKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc(-c2c(F)cccc2F)cs1 920805383 CVYNEKDBZXFNSB-CQSZACIVSA-N 459.315 5.759 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c1C 921253864 QFUOYAKTUJDVQM-OXJNMPFZSA-N 493.551 5.231 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 921276466 WLHUYDNZMODZOX-UHFFFAOYSA-N 477.698 5.077 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCc1ccco1)C(=O)N(CCC#N)c1ccc(F)cc1 927649998 RMNPDBRCIRCWMK-QGZVFWFLSA-N 452.507 5.203 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3)cc2)CCC1 1785860849 BJHNBIXLCBONCB-HSZRJFAPSA-N 495.595 5.492 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1786366171 OSZOZESHLOOFMZ-UHFFFAOYSA-N 465.981 5.552 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1 1786376087 JYKATCTYLCGFNG-ZHALLVOQSA-N 452.517 5.080 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)cc2n1 1788322078 DAVRIEQXJWDSOY-UHFFFAOYSA-N 468.488 5.209 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C[C@@H]21 1788529170 YOHUNQLAPWWBBV-FORWCCJISA-N 485.839 5.009 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cncn4-c4ccc(Cl)cc4F)cc3)CCC2)C1 1788690201 JIORXHOOJJWWDC-UHFFFAOYSA-N 478.955 5.379 30 20 JKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)/C=C/C(=O)c5cccs5)CCC4)cc3)ccc2n1 1789033240 PDFBBXWTPUSDHW-BUHFOSPRSA-N 495.604 5.792 30 20 JKED CCc1nc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)co1 1789851718 OPOLPOVYXIBDHB-UHFFFAOYSA-N 451.643 5.036 30 20 JKED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-c4ccc(CCCC)cc4)cc3)[C@H]2C1 1790009154 CHEQGRBJPDGSPE-AWCRTANDSA-N 486.656 5.093 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCc5cccc(Cl)c54)CCC3)cc2)c1 1790148952 PFOWXEWTTLOHRJ-FQEVSTJZSA-N 458.949 5.017 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)nc4)CCC3)cc2)cc1 1790288649 XNENDSANRLWBGS-UHFFFAOYSA-N 464.447 5.034 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccs4)CCC3)cc2)c(C#N)c1 1790472677 UYQJKHHPBOUFTJ-VAWYXSNFSA-N 471.582 5.018 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1 1790520034 UFTFGMWLRDKLRO-NRFANRHFSA-N 483.634 5.355 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3csc(-c4ccccc4)n3)CCC2)cc1 1790567530 JPRZNDDHOMUCPM-SFHVURJKSA-N 476.602 5.359 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)c(F)c4)cc3)CCC2)CCC1 1790650294 WVJXDRINICDOOO-UHFFFAOYSA-N 459.443 5.286 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)CCC1)C(F)(F)F 1790814931 DYOMTWMQWJZNKS-UHFFFAOYSA-N 497.473 5.398 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)CCC2)cc1 1791298864 YJPMKWYEJFEADR-UHFFFAOYSA-N 489.526 5.289 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)CCC2)cc1 1791301047 LPMNDXSVNNRKDN-HXUWFJFHSA-N 491.579 5.025 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)C[C@@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206643 LOZLSUNWTXLADS-COKJOHSESA-N 469.626 5.026 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ncccc34)cc2)CCC1 1792292068 KSMGETWMNHLOJP-QHCPKHFHSA-N 456.590 5.398 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1 1792336946 YBEBTXFAVIRBJP-DNOBIOAJSA-N 469.626 5.026 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3sccc3s2)cc(C(F)(F)F)c1 1798032618 DRRLXJOJWMQWRI-BJWYYQGGSA-N 489.544 5.419 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2CSc2ccccc2)c1 1800665071 LUJWXCRAXJBSCV-NUNAXRQHSA-N 499.611 5.555 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1802500169 LGGDRJYZVQQJMS-GJZUVCINSA-N 493.623 5.322 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c1Cl 1802709706 CCIVSQHAHPDHLF-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1804172757 OXZAUSGZPKPJQU-YIXXDRMTSA-N 489.616 5.127 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC4(CCCN(C(=O)CCc5cccc(C#N)c5)C4)CC3)c[nH]c2c1 1805334092 SOKZRKYQVMKVOS-DHZHZOJOSA-N 494.639 5.225 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC4(CCN(C(=O)Cc5ccc(F)c(C#N)c5)CC4)C3)c[nH]2)cc1 1807424559 KPFVVXORQLAZSM-UHFFFAOYSA-N 498.602 5.088 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)oc2ccccc12 1809159854 WGSRGNLKQORZHD-AMGIVPHBSA-N 497.982 5.161 30 20 JKED CC(C)c1csc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)n1 1810275582 YYHOJIAXVIKRHG-ZJSXRUAMSA-N 496.753 5.032 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(C)cc3)C2)CC1 1810349732 FMERDGWZRJXUMC-VWLOTQADSA-N 471.645 5.670 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1810499688 HFWVGWLWWLNZCN-URXFXBBRSA-N 459.590 5.448 30 20 JKED Cc1snc2sc(C(=O)N3CCCC4(CCN(C(=O)c5ccc(C#N)cc5Cl)CC4)C3)cc12 1810522055 TYSMVVINJPIGAI-UHFFFAOYSA-N 499.061 5.350 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(OC(C)(C)C)cc3)[C@@H]2c2cccnc2)c1 1811235535 DPDNEVUDCRNMOR-IGKIAQTJSA-N 496.611 5.072 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811430297 RPLDXSFZIBCNIF-OFVILXPXSA-N 477.992 5.569 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1811865544 KISBWSLCTCHSLL-SHQCIBLASA-N 488.676 5.384 30 20 JKED C[C@H](CC(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1)c1ccccc1 1812734919 SJRXZYZNJXGKBH-AUZMWRNASA-N 487.003 5.120 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)[nH]n1 1814441526 MIDKOWYUYLDVQM-SFHVURJKSA-N 463.504 5.122 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)cc1 1814500198 KBRWSRAYBMUKLR-KRWDZBQOSA-N 488.400 5.198 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3c(F)ccc(F)c3F)n[nH]2)c1 1815496145 KSSXIBDTMUGXFW-QRQCRPRQSA-N 495.505 5.003 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1817099750 QKZLKCPFVVQDLJ-HNNXBMFYSA-N 480.384 5.216 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)c1 1817590414 GTMCGEBKIRXNFE-VWLOTQADSA-N 480.572 5.010 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C)cc2C(F)(F)F)n[nH]1 1818345016 DEWMQJBKUNYAPI-SFHVURJKSA-N 465.520 5.065 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc(OC)ccc3n2)n[nH]1 1818664059 DVUYRDXFHGSLJV-XMMPIXPASA-N 473.577 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(Br)nc2C)[nH]n1 1819305528 LFOBEUORWFBIIZ-ZBFHGGJFSA-N 492.443 5.011 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1 1819386194 BKGYYFBFUUQTQL-NTKDMRAZSA-N 476.644 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)[nH]n1 1819555891 IJFDYOWDAZEWRK-JOCHJYFZSA-N 494.636 5.505 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1)C(F)(F)F 1820091399 HKXYHSAGMBAGFL-GOSISDBHSA-N 497.477 5.575 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217141 FHXSRLQIANOGPQ-LJQANCHMSA-N 495.008 5.061 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1C 1820541456 VVLMGHDMQRFERJ-YADARESESA-N 455.562 5.273 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)CC1 1821181858 ROQPEHJYHHYLFM-APTRMMRNSA-N 461.610 5.388 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cccc(Br)c3n2)n[nH]1 1821417365 DSNBLXYMHKQDLF-YWZLYKJASA-N 496.409 5.239 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c1 1823135903 RYSDTKJHYNAGDM-IQGLISFBSA-N 467.573 5.534 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823309347 OAFUTNWILYXHLH-GOSISDBHSA-N 499.826 5.659 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1823664450 JLRGRUXDPDMQSX-HHHXNRCGSA-N 496.611 5.079 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1 1823755314 SUIXSCKAAZJSKW-VWLOTQADSA-N 453.671 5.243 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)c3ccccc3o2)CC1 1823995569 AADLJQYMKJLZJG-QFIPXVFZSA-N 464.606 5.019 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1824143397 LFOCQJCQAVSUCO-OAQYLSRUSA-N 497.989 5.756 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1824322780 FDKCVGBBRIEYPJ-AMGIVPHBSA-N 487.644 5.188 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1)c1ccccc1 1824329276 IUMINWIQEWGECE-FTJBHMTQSA-N 484.631 5.629 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1824850405 NIUHWKYKECRFEO-HXUWFJFHSA-N 490.488 5.218 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccco2)CC1 1825771811 MQEZWKPJJVNACM-MHZLTWQESA-N 466.581 5.227 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)c(OC)cc(OC)c2F)CC1 1826772404 IKLWLJZBBUIHTA-LJQANCHMSA-N 492.607 5.208 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)CC1 1827650936 PYLHUKOAQSLDCJ-GOSISDBHSA-N 469.548 5.228 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732571 DYRCGRQLZVMRIM-QFIPXVFZSA-N 487.065 5.753 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(F)(F)c2ccco2)CC1 1828907148 VPOSNHYTEQMSMA-OAQYLSRUSA-N 478.656 5.042 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cc(C)ccn23)CC1)c1ccccc1 1829035217 MQBQDTOMIDCOJY-SXOMAYOGSA-N 496.655 5.073 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 1829064949 QKLGBVRQSIYQHU-XMMPIXPASA-N 463.622 5.567 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829577162 UBSZOGBRLPNGIL-NTKDMRAZSA-N 475.658 5.895 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492938 CCEBEHGUTJNSSI-MHZLTWQESA-N 458.602 5.516 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1830585002 KPDDSDIDGMDFNY-XMMPIXPASA-N 481.543 5.015 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c1 1830718225 CWPCHKJGQFZYLK-JCYRPKCISA-N 494.010 5.388 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1832033750 BKJIQYZZFWGCDI-JOCHJYFZSA-N 488.554 5.009 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCCCCCC(=O)OC)CC1 1832830244 PRTHEZOIHSKPTH-VWLOTQADSA-N 474.686 5.094 30 20 JKED CC(C)n1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 9826502 QXEINCIAFYCDER-ZDUSSCGKSA-N 460.390 5.824 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 10174373 FJTGBBWQMNAUSG-UHFFFAOYSA-O 455.647 5.955 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 11450186 AICORLARXQSUOQ-UHFFFAOYSA-N 482.972 5.149 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1C 12009426 KHJJKFWJVIDJNS-UHFFFAOYSA-N 475.064 5.973 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(Nc3ccccc3F)s2)n(C2CCCC2)c1C 12263928 FORDHBHGHXAKOT-UHFFFAOYSA-N 470.599 5.557 30 20 JKED Cc1ccc(C(C)(C)C)cc1SCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 16551001 MRQMETMJLGSDEP-UHFFFAOYSA-N 487.691 5.274 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2ccc3ccccc3n2)n(C2CCCCC2)c1C 16679158 YDWWUWJTDGSKQY-UHFFFAOYSA-N 458.562 5.145 30 20 JKED CCCn1c(SCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 21669627 GCGIOOVOXVXEEK-UHFFFAOYSA-N 492.954 5.287 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccoc1C 21925330 YBIRQTSLPVKTLX-AWEZNQCLSA-N 496.574 5.184 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)nnc1-c1ccc(Br)cc1 22040987 SRCRXFOHQMEGFV-HNNXBMFYSA-N 489.414 5.172 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccc(C#Cc2ccccc2)cc1 22320892 SFFVMSAWEOKJME-UHFFFAOYSA-N 474.438 6.203 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cc(C)cc(C)c2)cc1 22730242 WLUASNWUAHGAOI-UHFFFAOYSA-O 451.681 6.915 30 20 JKED C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1-c1ccc(Br)cc1 25548762 IYTDWRNONBVLAJ-UHFFFAOYSA-N 476.350 5.931 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc(N(C)C)cc1 28811007 PFDUAFBPODJKGJ-UHFFFAOYSA-O 483.455 5.416 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1 29351902 BNYJQFTXYCQGFV-UHFFFAOYSA-N 499.017 5.425 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 32821704 FMKAWZGQIPNDIZ-HSZRJFAPSA-N 474.561 5.175 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 68797321 WUOGSMLAPYXFSV-UHFFFAOYSA-N 485.547 5.315 30 20 JKED C=CCOc1c(Br)cc(/C=C(/Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OC 98002279 BYPLWEOAWRZYNM-OVCLIPMQSA-N 482.161 5.649 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)c2ccccc21 104933850 GSSHMOSAOABQNB-UHFFFAOYSA-N 483.622 5.763 30 20 JKED C=CCn1c(Sc2ncnc3scc(-c4ccccc4)c23)nnc1-c1ccccc1OC 105331988 CGCMYMADTDIMBC-UHFFFAOYSA-N 457.584 5.963 30 20 JKED Cc1cc(C)c(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c(C)c1 195556883 LYRCLBJVYSXPMK-QUCCMNQESA-N 463.990 5.618 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccccc1F 195569675 PBNVPFWOZDJLCO-UHFFFAOYSA-N 460.534 5.793 30 20 JKED COc1ccc(-n2nnc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2C)cc1 195622698 YFELMMKRCXOFJX-QFIPXVFZSA-N 457.921 5.146 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 303117860 LPPBCRLLXJWVSX-UHFFFAOYSA-N 458.949 5.259 30 20 JKED COc1cc(C(=O)Nc2cccc(OCCCC#N)c2)ccc1OCc1ccccc1Cl 488450699 MGKYYIWWTIHGLV-UHFFFAOYSA-N 450.922 5.862 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)c3oc4ccccc4c3CSc3cccs3)CC2)cc1 498583549 LUMHDLXCBLNEEI-UHFFFAOYSA-N 473.623 5.616 30 20 JKED COCc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)sc2cccc(F)c12 501419392 GDHGSSDYMDTESC-UHFFFAOYSA-N 460.530 6.084 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1)c1ccccc1 502047404 FTVZSFDBJJMYCE-DEOSSOPVSA-N 451.570 5.140 30 20 JKED Cn1c([C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)nc2ccccc21 502701299 GSGJMVMOCLVDSQ-HSZRJFAPSA-N 482.547 5.523 30 20 JKED Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2=O)c1 503358352 YFRDNFRZIDVKHD-JOCHJYFZSA-N 488.931 5.156 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc(Oc4ccccc4)nc3)s2)cc1 506665729 XKHGVIDYGXIWBM-UHFFFAOYSA-N 474.571 5.211 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2SCc2c(C)noc2C)cc1 508460041 XFJROMHWOARTLC-UHFFFAOYSA-N 485.565 6.509 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)c2)c1 512321688 VCOPTDREMBJRNO-UHFFFAOYSA-N 459.933 5.151 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c3c(C)noc3n2)c(C)o1 514423658 DYXYDRGMCHFMNS-UHFFFAOYSA-N 479.496 6.028 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 517465609 NMUWTSGNTLZILS-VFNWGFHPSA-N 486.435 5.297 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CSCC(=O)Nc3cccc(Br)c3)c2)cc1 517880289 XQQPKZGFYDIYRK-UHFFFAOYSA-N 496.386 5.423 30 20 JKED COc1cccc(C2(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CCCC2)c1 518174438 YPZKXVKXOHFXSE-UHFFFAOYSA-N 450.589 5.161 30 20 JKED COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OCc1ccncc1 518803756 YTLWOZQVZXKMSB-UHFFFAOYSA-N 481.577 6.085 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 518833116 YUKRIDPDUCAWMM-OAHLLOKOSA-N 451.866 5.105 30 20 JKED O=C(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)c1ccc(C(F)(F)F)cn1 520317044 OSUHDKOBBTYEOL-UHFFFAOYSA-N 481.349 5.679 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c3cn[nH]c23)c1 521143225 QCGHSZJDFILCGG-UHFFFAOYSA-N 480.977 5.158 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCc1ccc(Br)cc1 553338913 RFJRRELXAHDIJH-QGZVFWFLSA-N 497.483 7.245 30 20 JKED Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 560727611 HAXXBGKCCJWJSE-UHFFFAOYSA-N 479.334 5.182 30 20 JKED C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4ncccc4C#N)CC3)c2C1 560919938 ORYOTQXCOVKLLJ-WDWWVRLLSA-N 489.579 5.180 30 20 JKED CCCCSc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 589943307 XSGDZRIPICTDQG-GFCCVEGCSA-N 452.696 5.609 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c([N+](=O)[O-])cc1OC(F)F 603613593 DRSOSCKFFKKDOB-CQSZACIVSA-N 459.430 5.127 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1Cl 603766675 SPQPNPWUWVDFMA-QHCPKHFHSA-N 470.960 5.351 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)CC1 603963887 CKQHYETYJSETRD-UHFFFAOYSA-N 487.947 5.304 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cc1Cl 604024184 OLPFMSLXAIZDBQ-UHFFFAOYSA-N 457.886 5.079 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1Cl 604135489 OXUHMGVPHNNGLU-ZEQKJWHPSA-N 480.955 5.235 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2)cc1 604460747 ZSMWHQPZHUZZHY-GJZGRUSLSA-N 457.374 5.945 30 20 JKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 604554733 SVGDUZJINSWNHC-JOCHJYFZSA-N 480.612 5.779 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 608782445 CWURTQYPDPLVHR-UHFFFAOYSA-N 475.549 5.496 30 20 JKED CC(C)[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 608842987 AXHAHPQQRWERPD-HSZRJFAPSA-N 458.528 5.192 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CCCCCC3)CC1 608939736 JVQQCVIEXQVJTD-UHFFFAOYSA-N 464.635 5.181 30 20 JKED CCOc1c(Br)cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1OC 609027901 HVIOBMNNJTUKHD-JOCHJYFZSA-N 495.373 5.430 30 20 JKED COc1ccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1OCc1ccc2ccccc2n1 609100565 VQYSUTUYEKWUEV-AREMUKBSSA-N 478.552 5.302 30 20 JKED N#CCn1c(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc2ccccc21 609171158 BVTPKADAMAMYGJ-UHFFFAOYSA-N 463.419 5.427 30 20 JKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 609379235 ZGBOVWGNZWFASB-NSHDSACASA-N 479.343 5.520 30 20 JKED N#C[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cccc(Cl)c1Cl 609414662 BPMLKMCNASSYNG-MRXNPFEDSA-N 464.761 5.955 30 20 JKED O=C(NCCOc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804775 VZWFEXAOAQZRQY-VXGBXAGGSA-N 466.344 5.293 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 613405110 UZWNFWRKAKTCQF-ZDUSSCGKSA-N 480.393 6.010 30 20 JKED O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301363 OHLJCKVLMKFOBE-IYBDPMFKSA-N 486.431 6.496 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)cc1 619210265 SNRBLRZRNZXXIL-UHFFFAOYSA-N 493.405 5.318 30 20 JKED CC(C)NC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 642281360 COHAYFVBCAXLOM-GOSISDBHSA-N 487.412 5.815 30 20 JKED COc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OCC(F)(F)F 642499730 UFCYSSUGPNWJJN-UWVGGRQHSA-N 482.343 5.667 30 20 JKED Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1N1CCSCC1 726076215 PRALWUNNNZCXDY-UHFFFAOYSA-N 474.605 5.793 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N([C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726394572 VUFDJHCQAVCKEE-FPOVZHCZSA-N 493.551 5.179 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CC(F)(F)F)c1cccs1 726421858 QFEKFYCXPCWPDM-QEGKZWJHSA-N 475.945 5.354 30 20 JKED Cc1ccc(C)c(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)c1 726570092 RLNNRXVWOZLBSD-UHFFFAOYSA-O 460.623 5.395 30 20 JKED CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)N[C@H](C)c2cccs2)cc1 726579448 KPDUJAZINYMNQE-MRXNPFEDSA-O 468.668 5.544 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3csc(-c4ccc(F)cc4)n3)SC2=S)cc1Cl 726626885 MGULLKBWTNCONH-REZTVBANSA-N 457.964 5.880 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2ccc(C)s2)cc1Cl 726890066 HGKVLQLDVWHXSH-BFUOFWGJSA-N 478.039 5.080 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(Cc2ccc(F)cc2)n1 727038569 LQQSEWHGPCITMU-INIZCTEOSA-N 461.490 5.149 30 20 JKED N#CCOc1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 727939401 LPBLOZFIITVUTN-QFIPXVFZSA-N 458.949 5.355 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSC(=S)N1CCC(C)CC1 727997018 PWBHMODNPPHGIE-UHFFFAOYSA-N 453.633 5.134 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(N2CCOC2=O)cc1 728392683 MVQQBUPFCQRCOC-KRWDZBQOSA-N 474.492 5.116 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccc(F)cc1 728776959 HLLVKFPZCDFBQE-IBGZPJMESA-N 493.391 5.787 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CC#N)ccc1Cl 728874026 JJOGFDWARJAFHJ-OAHLLOKOSA-N 499.942 5.114 30 20 JKED Cc1occc1-c1nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c(=S)n1-c1ccccc1 728902837 BDJMYLDTMOBZOJ-UHFFFAOYSA-N 471.586 5.344 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1 729145672 NDZRZYPTXUFVTQ-IBGZPJMESA-N 486.569 5.199 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCC3)C2=O)cc1 730461303 BFIVAMZKNMPWRQ-FQEVSTJZSA-N 452.967 5.033 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2C2CCC2)cc1 730463472 XXCNXBWRLSXDJZ-HSZRJFAPSA-N 480.634 5.053 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1cocn1 730709361 RDYWVUGGIKRBRE-LJQANCHMSA-N 488.491 5.162 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(Cl)c1 730720304 PUFAQASJRMMQLH-NHCUHLMSSA-N 492.004 5.086 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730726111 BEKGPYWWBILOCG-IBGZPJMESA-N 490.919 5.075 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N([C@@H](C)c2cccnc2)C1=O 730944997 JZXXXAAUIMCVOD-GAJHUEQPSA-N 492.576 5.259 30 20 JKED C=CCc1cc(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc(OC)c1OC 731023019 QFJDIXDQNTYRBU-UHFFFAOYSA-N 466.578 5.050 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)cc1 731304828 BOONWBQZDJFSPY-XMMPIXPASA-N 495.645 5.264 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(F)c2)c1 731309195 UMICEHSPSWONLU-QFIPXVFZSA-N 481.524 5.139 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310405 HQLSOIXOEVLWGE-BTYIYWSLSA-N 483.590 5.184 30 20 JKED COc1cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 746345495 FYYJLVKWNVBEJM-LCYFTJDESA-N 468.575 5.062 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)ccc1SC(F)F 746347231 YFOSESXFZPFQIA-YFHOEESVSA-N 474.554 6.356 30 20 JKED O=C1/C(=C\c2ccc(C(=O)O)cc2)CN(Cc2ccccc2Cl)C/C1=C\c1ccc(C(=O)O)cc1 747316840 DVRXZNRUVSJZJA-NQGGHMMCSA-N 487.939 5.288 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1ccccc1C(F)(F)F 747598304 ARWLMUDGKGPMJJ-GOSISDBHSA-N 490.532 5.322 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 750395920 UIRWWMRDVSLYHC-GOSISDBHSA-N 482.352 5.264 30 20 JKED C=CCc1cc(C(=O)OCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc(OC)c1OC 761178602 QPNDKPFFWDQEIS-UHFFFAOYSA-N 480.586 5.547 30 20 JKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)N(CCC#N)c1ccccc1 779184834 XOYNPTVGCXFOKR-FQEVSTJZSA-N 469.566 5.343 30 20 JKED N#CCSc1ccccc1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 825472245 LJXHPGCKGVHQJW-UHFFFAOYSA-N 464.387 5.437 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 837443271 ARSYBTINXBKWDL-PXDATVDWSA-N 486.641 6.037 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)N[C@H](C)c3cccc4ccccc34)nc(O)c2C#N)cc1 857991391 JGCVQBUADIYBGX-SJORKVTESA-N 484.581 5.241 30 20 JKED C=CCOc1c(Br)cc(CNc2cccc(N(C)C(=O)NCC)c2)cc1OCC 864036139 SWEPJMFPEUKLOD-UHFFFAOYSA-N 462.388 5.190 30 20 JKED CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 912609450 XMBHANHWZPYQAV-VOTSOKGWSA-N 480.355 5.503 30 20 JKED Sc1nnc([C@H]2COc3ccccc3O2)n1N=Cc1ccc(-c2cccc(Cl)c2)s1 914691389 CKTBLRIQOYLZKG-GOSISDBHSA-N 454.964 5.343 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3OC)N(Cc3cccc(F)c3)C2=O)c1 914772588 FUSVYHXRKNJBTO-QHCPKHFHSA-N 493.560 5.003 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 915086127 HMBVNPYAJAADKA-VSGBNLITSA-N 459.549 5.322 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 915103877 HKIGKJBNYZSCAS-RHSMWYFYSA-N 475.467 5.183 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 915104707 JHAJJYMUFNPOBC-HNNXBMFYSA-N 478.517 5.874 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)c2nc(C)cs2)ccc1Cl 915874264 RPVPZOTYCBMBSS-UHFFFAOYSA-N 496.441 5.416 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CC(C)C)C1=O 916217418 MVQQHNILFOGCPX-IBGZPJMESA-N 479.524 5.330 30 20 JKED O=[N+]([O-])c1cc(C=Nn2c(S)nnc2-c2ccccc2F)ccc1Oc1ccc(F)cc1 916319762 LBVHZLUJLUHNEJ-UHFFFAOYSA-N 453.430 5.095 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916903520 SYUJPWBZUNJYQD-OFNKIYASSA-N 488.927 5.072 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1Cl 916907896 CNSAASKCHALPOX-GXMNPTEKSA-N 460.761 5.738 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(OCc2cccs2)c1 916909740 QUJHAKPCBDOSST-HSZRJFAPSA-N 468.534 6.081 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)O[C@H](C)C2 916911273 WXBZXDGGITURNF-AIGIHJFUSA-N 482.536 5.562 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c2c(C)c(C)sc2n1 916918698 RGSASCQGEKBCEN-GOSISDBHSA-N 460.584 5.209 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(Cl)cc4Cl)cc3)o2)cc1 916928687 QVJWJSZUCJQKRK-LJQANCHMSA-N 491.334 5.980 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 916955340 PLHOCUGPGMSYJN-BXKMTCNYSA-N 459.546 5.274 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nc(C)nc4sc(C)c(C)c34)n2)cc1 916974161 FMCFYRMZNGDCIB-QGZVFWFLSA-N 464.641 6.017 30 20 JKED CC[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)n1nnc(-c2ccc(Cl)cc2)n1 917045871 BWFPBQCAJBHPDC-GDBMZVCRSA-N 457.346 5.084 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2cc(Cl)ccc2s1 917047450 XOFSHYDDWGHOMJ-GUYCJALGSA-N 478.788 5.738 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 917504990 IXSLEYWOSNBWCS-QFIPXVFZSA-N 495.535 5.644 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(F)c(F)c2)cc1 917612774 HMTGWJRUZGISLV-UHFFFAOYSA-O 464.561 6.351 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cccc(C)n3)C2=O)cc1 917668803 HAWWAALSIZRTEZ-XMMPIXPASA-N 486.597 5.062 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)c1 917702291 DMKCXEHLTUUTNL-QHCPKHFHSA-N 472.545 5.166 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 917804059 JZMRBMJYJTVDQQ-UHFFFAOYSA-N 471.557 5.860 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc([C@@H](C#N)c5ccccc5)cc4)CC3)c2c1 919904356 IMLRDHCHLSKZIV-SANMLTNESA-N 464.569 6.243 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)c(OC)c1 920105826 FYGSTCOAFOIAQH-DEOSSOPVSA-N 475.548 6.209 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C 920140218 CSIXURIXPSLNNJ-NRFANRHFSA-N 469.595 5.453 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@@H]2CCc3c(Cl)cccc32)C1=O 920171806 YWWFECTXALBNRT-MSOLQXFVSA-N 481.927 5.114 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(F)c(F)c3)C2=O)cc1 920356335 SJYXEDXMIIQKEQ-HSZRJFAPSA-N 493.535 5.328 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cc(C)on3)C2=O)cc1 920359009 FVMAGVFVADGQKU-DEOSSOPVSA-N 484.581 5.605 30 20 JKED O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(SC(F)(F)F)cc1 920836160 VMEQPZVVHGPLFY-IUCAKERBSA-N 475.398 5.486 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 920870361 SMYVFCZDAUHNLJ-XOBRGWDASA-N 477.989 5.030 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@@H](c3nc(C)no3)C2)c1=S 921051143 LZUJLZFDMSRIQQ-LJQANCHMSA-N 452.628 5.093 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)cc(C)n1 1785796859 VOAPLNVTIIHMDN-UHFFFAOYSA-N 466.585 5.205 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)c1 1786244861 QBHBCYNTRWDORZ-UHFFFAOYSA-N 467.516 5.140 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)cc2)CCC1)C(F)(F)F 1786574562 WCTNISRFYAHQCY-QHCPKHFHSA-N 495.542 5.029 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cc(F)cc(F)c5)[nH]n4)cc3)CCC2)C1 1787155750 XYHGCXINKCWYLA-UHFFFAOYSA-N 462.500 5.069 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CNc4ccccc4C3)cc2)CCC1 1788067752 OPBMGNOMPGYLMM-IBGZPJMESA-N 467.560 5.397 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cn1C 1788799267 AOAMPDHOKVEKJV-UHFFFAOYSA-N 470.573 5.054 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cnccc5[nH]4)cc3)CCC2)c1 1789360891 RVNQVUHAXMEXJG-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(OC)c34)CCC2)cc1 1789457927 GQRJRHWVGWKDAP-NRFANRHFSA-N 457.574 5.693 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4Cl)cc3)CCC2)cc1C#N 1789682011 XSNCMZDTZMDTGZ-UHFFFAOYSA-N 488.975 5.455 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)no1 1789846499 RWIZYAMJDOOMKU-UHFFFAOYSA-N 451.643 5.036 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789880001 CVNUGYVPIMXBGR-GOSISDBHSA-N 476.602 5.359 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(CNC(=O)OC(C)(C)C)c(C)c3)cc2)CCC1 1790066166 ZONYDOSYTUEABZ-UHFFFAOYSA-N 489.616 5.181 30 20 JKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c1 1790342767 ZILCNOBLPXYKDG-UHFFFAOYSA-N 457.505 5.158 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3)CCC2)c1 1790352928 DXEOLSSGQZPMTH-IBGZPJMESA-N 498.558 5.229 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)c(C#N)c1 1790472996 GWMOPOWOPIPAST-UHFFFAOYSA-N 490.563 5.105 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4snnc4C4CC4)CCC3)cc2)c(Cl)c1 1790767295 VUTOMICGLWMAEW-UHFFFAOYSA-N 477.977 5.002 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CCC2)cc1 1791577663 RKSUWHWUBRALNB-KRWDZBQOSA-N 470.598 5.296 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](Cc3cccs3)NC(=O)OC(C)(C)C)CCC2)cc1 1791588999 SARWAEPIBCFOKQ-OAQYLSRUSA-N 497.661 5.284 30 20 JKED Cc1nc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cs1 1792123097 IHAVQYHSSFHVHK-QGZVFWFLSA-N 458.587 5.069 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)cc3)CCC2)cc1 1792154623 FPILNTIZXJQPNP-UHFFFAOYSA-N 461.525 5.010 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(C(F)(F)F)cc3)[nH]n1)C2 1792571328 RCONBUIKAKUWJR-ACDBMABISA-N 488.554 5.340 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)C2 1792572608 JHVHWCPIIZCQKT-OUJCMCIWSA-N 497.680 5.517 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(C#N)cc3)c2c1 1799665405 LWSCRWAITPPAFN-KOUNCHBCSA-N 485.584 5.077 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1)c1cc(F)cc(C(F)(F)F)c1 1799706524 IBOUYMGAVSXSJW-REPLKXPHSA-N 488.403 5.429 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1802499081 FRFFEYALMVUUIJ-WMZHIEFXSA-N 499.011 5.264 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1802957491 AGVRSXXGQZVDQF-JVGXHWGJSA-N 486.660 5.054 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1802958988 ZAGMSPCCOICZDP-GGXMVOPNSA-N 486.660 5.198 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1802958990 ZAGMSPCCOICZDP-UHSQPCAPSA-N 486.660 5.198 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1803092476 VUPIIIHOYHBIDL-VSGBNLITSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CSc2ccc(F)cc2F)[C@@H]1c1cccnc1 1803484714 ATQLGXDQBQVQGG-CYFREDJKSA-N 487.616 5.150 30 20 JKED Cc1sc(-c2ccccc2)nc1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1 1803678191 VCOSFRUZDRXNOB-TZAMREQXSA-N 498.652 5.240 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1804167817 GVTYBIOVUPDKHF-ZODMCCGTSA-N 486.081 5.100 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@H](c4ccccc4)N(CC(C)C)CC(C)C)CC3)C2)C1 1804785366 AFOAYCIAPYAFOZ-NDEPHWFRSA-N 493.736 5.539 30 20 JKED C=CCC(=O)N1CCC2(CCCN(C(=O)CCCCCCCCNC(=O)OC(C)(C)C)C2)CC1 1805405442 DVYMYMBVEUJQFR-UHFFFAOYSA-N 477.690 5.049 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)C1 1805456355 MZKQWQOBVHXLGI-UHFFFAOYSA-N 481.040 5.343 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(F)c2)[C@@H]1c1cccnc1 1807878107 PNRVEPHIEZLTBT-CKOJHNACSA-N 498.602 5.371 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2F)[C@H]1c1cccnc1)c1ccccc1 1810446648 FTLKQQDVLWGHFI-VWYPKUQYSA-N 497.614 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1810489361 LJCDSUYMCFMVQN-YKSBVNFPSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1810498708 PEDDWTAJGQVYCS-UPVQGACJSA-N 488.657 5.517 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810603207 DZVRBZTVQSHSGD-HTAPYJJXSA-N 475.967 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810946272 GSYJWOSOOOUTOH-KNQAVFIVSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1811230982 NULKUFKZAKHPCY-ILBGXUMGSA-N 477.649 5.571 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Br)c(Cl)c3)[nH]n2)C1 1814397387 HJZMNXYXWVVLKS-GOSISDBHSA-N 477.790 5.098 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CCC3)[nH]n2)C1 1814397455 OPTHFNKQXPUTKV-NRFANRHFSA-N 452.986 5.143 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)[nH]n1 1814445224 FNUQHPQLVDBCLZ-QUCCMNQESA-N 489.661 5.088 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[nH]n1 1815249103 SMSFWHPWDFKUOZ-ICSRJNTNSA-N 494.583 5.107 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C(F)(F)F)coc2C)n[nH]1 1818287847 BKNAPDFVOXWJSY-GOSISDBHSA-N 464.488 5.404 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Br)cc3s2)n[nH]1 1819076223 ARLKGTNNHIYVNU-NHYWBVRUSA-N 493.452 5.011 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2ccncc2)[nH]n1)c1ccccc1 1819516688 KXKRRNVOJAZNAZ-RSXGOPAZSA-N 483.616 5.017 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cccc(O)c3cc1OC)CC2 1819604552 MQWDWSIEEFUIDR-ZWKOTPCHSA-N 491.613 5.005 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)cc1 1820525846 IOHLHVXSQKCQLS-JOCHJYFZSA-N 495.505 5.239 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820962411 FQBSHZPPHBKZCB-FPOVZHCZSA-N 474.646 5.296 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)[nH]n2)c1 1821275367 HQRLIAIUWXJVEB-YDHSSHFGSA-N 491.954 5.183 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)[nH]n2)c1 1821322802 TVJIZGUTFQCRAK-JOCHJYFZSA-N 495.505 5.157 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821756855 QRXXEKZITBAXJU-UPVQGACJSA-N 484.044 5.127 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1821985486 SDWDLGYIWUNJOJ-FQEVSTJZSA-N 471.483 5.061 30 20 JKED Cc1ccc(CSCCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1822281762 ATHHHDJVZWZSIK-XMMPIXPASA-N 487.629 5.219 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)[nH]n2)c1 1823216222 DWFFMODEYNOAEI-BTYIYWSLSA-N 472.574 5.199 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1C 1823216742 NLKNEGZXHUVVRB-DVECYGJZSA-N 485.588 5.282 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1824047024 PFSVZBMXEXQRHE-UQBPGWFLSA-N 494.035 5.257 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1824053159 HQDDBKVLWBFDJU-HHHXNRCGSA-N 486.591 5.045 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc5ccoc5c4)sc3C2)c1 1824069641 HSKQPRXHBVXVFK-FOIQADDNSA-N 470.554 5.056 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1824144753 DXEUWNDFPNXSRY-RUZDIDTESA-N 482.665 5.025 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824208124 ANYZYJHEWQXUJW-QHCPKHFHSA-N 489.701 5.068 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1824545047 RTVYOMOJNYMURV-VQTJNVASSA-N 475.457 5.320 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)CC1 1826204397 WREWWSBNVPAISA-MSOLQXFVSA-N 469.573 5.164 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1)c1ccc(O)cc1 1826262181 CEMGERGODPWRQM-AHKZPQOWSA-N 464.650 5.089 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CC1 1826688864 SUSKMYYRPYSUES-GOSISDBHSA-N 468.812 5.184 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2nccc3occc23)CC1 1827301895 FFISKZFDOHXSTJ-HSZRJFAPSA-N 479.697 5.112 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1827727010 QFANNOUPSDCSNZ-HHHXNRCGSA-N 490.648 5.087 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)oc2ccccc12 1828127509 IMOJBFILDYPYIP-RUZDIDTESA-N 487.575 5.228 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cnccc4c3)CC2)c(Cl)c1 1828205739 ZICVGCXWUWMJIY-SANMLTNESA-N 487.003 5.307 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1 1828673104 YSZHNXURDYTCEV-DEOSSOPVSA-N 495.765 5.581 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(C)oc2C(F)(F)F)CC1 1828824666 NXHXLFBMSARIGC-RBUKOAKNSA-N 467.532 5.004 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C4(C#N)CC4)CC3)ccc21 1829694539 DLADUOJUJCYTFZ-VWLOTQADSA-N 482.628 5.351 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830558042 WAIWFRDCKIKBNO-FNZWTVRRSA-N 461.581 5.308 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1831367376 JDPYZOPWYTUXLE-OEMFJLHTSA-N 491.717 5.148 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccccc2Br)CC1 1831375817 DRLVTSDBRHLPHT-DENIHFKCSA-N 491.470 5.050 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1831376093 JWASQAMRHAEEOK-KKSFZXQISA-N 454.508 5.290 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2noc3ccc(Br)cc23)CC1 1831376449 NQTAUIOCMOXLOM-OXJNMPFZSA-N 488.426 5.036 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 1831948146 ZRGLVCDJJHNIGJ-DEOSSOPVSA-N 499.493 5.294 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1832029592 JAWZERLOOBSJKG-HHHXNRCGSA-N 457.618 5.176 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c1 1832390333 FSXMQCPPEVUZCV-ZFPXVQSOSA-N 461.650 5.517 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832704185 IYXVMRMDWMKWRD-XMSQKQJNSA-N 481.559 5.048 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1832984480 ZKXUXSVOXHKYIJ-ZLZBJJAKSA-N 498.614 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4[nH]c(C)cc4c3)CC2)CC1 1838424722 VILJELMECJMFRP-UHFFFAOYSA-N 465.638 5.081 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)Cc3cccc(CCCCC)c3)CC2)CC1 1838616285 NYGGQLYFBMJARI-UHFFFAOYSA-N 480.693 5.154 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1838718919 YTYOEOXXJLPHIL-UHFFFAOYSA-N 496.554 5.410 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1847265076 MIXNTEPTSDTWCJ-OIBXWCBGSA-N 483.653 5.331 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2Cl)cc1 8752764 GUEJARVUDGPIMF-KRWDZBQOSA-N 496.036 5.420 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1Cl 9023584 ILVLYJAIMRAMPF-GYCJOSAFSA-N 484.025 5.131 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(C)c(F)c1 11082888 QAZDOEUUKBSMMY-UHFFFAOYSA-O 462.397 6.342 30 20 JKED COc1cccc(Nc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)s2)c1 14055788 LSUIWRNREZBJMI-UHFFFAOYSA-N 482.635 5.426 30 20 JKED C=CCn1c(SCCCc2nc(-c3ccncc3)no2)nc2sc(-c3ccccc3)cc2c1=O 14729423 NUIGTOBVEWEOCP-UHFFFAOYSA-N 487.610 5.481 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccc(OC)cc1 17710142 PRWMYGOXINNWGC-XMMPIXPASA-N 490.654 5.508 30 20 JKED C=CCN(C(=O)CCn1cnc2sccc2c1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 21467787 GOYFBGWCCVXLMW-UHFFFAOYSA-N 491.425 5.498 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 22078526 UNPLPWDQNZLKSO-SFHVURJKSA-N 496.036 5.581 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccc(CC)cc2)cc1 22731352 NBVLPJKCARGEMW-UHFFFAOYSA-O 484.439 5.749 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 23326749 JQLPWMBRSPXJDF-MRXNPFEDSA-N 472.661 5.195 30 20 JKED CC(C)n1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nc2cc(Cl)ccc2c1=O 24966649 DKNVQKHSXVLTJZ-UHFFFAOYSA-N 475.401 5.323 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 26550875 HEXVUAFIBFSQOR-UHFFFAOYSA-N 455.583 5.266 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 26870923 KZRISMSMSBAMHU-SFHVURJKSA-N 486.996 5.694 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 28793397 QVVWHGKAGKVXGV-UHFFFAOYSA-O 476.666 6.248 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2cccc(C)c2C)cc1 28793452 DDAPGRRKOUHQDL-UHFFFAOYSA-O 492.665 5.716 30 20 JKED N#Cc1ccc(Sc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)c([N+](=O)[O-])c1 28976792 CBKLMYOECVVNDL-UHFFFAOYSA-N 487.932 5.250 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 32177026 IUAOLOSOZMAUEQ-QZTJIDSGSA-N 470.413 5.777 30 20 JKED Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Br)c1 60127439 CETWBJYIHBSYQG-MRXNPFEDSA-N 450.336 5.861 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1 72032262 CPBZIWGREABGSL-HXUWFJFHSA-N 470.579 6.018 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 195595249 TZVATOJBJXKNDT-VWLOTQADSA-N 485.971 6.361 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4SC[C@H](C)C#N)c(=O)c23)cc1 303339304 YDYBUMTXXMWLRG-GOSISDBHSA-N 488.638 5.714 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)c2)cc1 482844927 XNYIKVUSUCFBGU-UHFFFAOYSA-N 480.351 5.256 30 20 JKED Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 490105182 WEPQXHRSYOYRKP-UHFFFAOYSA-N 457.599 5.247 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1oc2ccccc2c1CSc1ncccn1 499621000 ZCVMICHJBXHPDV-UHFFFAOYSA-N 460.515 5.252 30 20 JKED CCOc1c(Br)cc(Cl)cc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 503243406 HIMLPZOCOCJXLA-UHFFFAOYSA-N 477.790 5.117 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 504505713 DUBOGYPPKGYNJI-YWZLYKJASA-N 460.921 5.209 30 20 JKED C=CCNc1nnc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)s1 510868716 MMUOKZGISALZRI-UHFFFAOYSA-N 497.646 5.724 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cccnc3Oc3cccc(F)c3)c2)c1 511500784 ZSCOZKLGKWZTAX-UHFFFAOYSA-N 481.487 5.459 30 20 JKED C[C@H](c1ccccc1Cl)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 512067565 MAQFUOUUZSOSCG-MRXNPFEDSA-N 464.953 5.428 30 20 JKED CC(C)c1c(C(=O)Nc2sc3c(c2C#N)CCCC3)cnn1-c1ccc(C(F)(F)F)cn1 512147044 MSBYDORVVZXOJL-UHFFFAOYSA-N 459.497 5.474 30 20 JKED Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 514575305 TVEBMJGFMZRZFQ-UHFFFAOYSA-N 484.507 5.511 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(CCCC)s2)nnc1-c1ccc(Cl)cc1Cl 515325344 KOYQIBPEDUGWKA-UHFFFAOYSA-N 483.450 5.363 30 20 JKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(COc2ccccc2C#N)o1 515431599 MSJFTDYVYXTOJQ-UHFFFAOYSA-N 476.920 5.484 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)Cc2ccsc2)nnc1-c1ccc(Cl)cc1Cl 517437142 CGJFXTZRJBTULD-ZDUSSCGKSA-N 467.447 5.339 30 20 JKED N#C[C@@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1ccc(OCc2ccccc2)cc1 517848112 IUZVKERGGOWVRN-JOCHJYFZSA-N 475.595 5.596 30 20 JKED COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2SC[C@H](C)C#N)cc1 518140511 VSGUQAOAPJMKLD-IBVKSMDESA-N 484.625 5.737 30 20 JKED Cc1cc(C)n(-c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2F)n1 518894918 YNDCDSCHUSXRMP-UHFFFAOYSA-N 456.525 5.275 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl 519433754 CACDOBGJRYPQQY-INIZCTEOSA-N 453.011 6.463 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(F)c(C(F)(F)F)c1 520035926 QCPGAKUXHBSIGP-UHFFFAOYSA-N 460.353 5.242 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 520840243 GAPZGUNSORWRLH-YBXDBCKMSA-N 485.609 5.971 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2Cl)cc1 520947105 DTUUCIUWFXTNBP-DNQXCXABSA-N 493.922 5.118 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)ccc3I)cc2)c1 524390950 MBIYAXQPZHLTNZ-UHFFFAOYSA-N 488.712 5.648 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3CS(=O)(=O)c3ccccc3)n2)cc1 595869755 OMEWNRWQBQPMDA-QHCPKHFHSA-N 472.591 5.583 30 20 JKED Cn1cnnc1Sc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 602288654 AZUTVICPCYGVMY-AWEZNQCLSA-N 496.618 5.211 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)s2)cc1 603449585 LZPSQGXCCAQAGP-UHFFFAOYSA-N 491.648 6.293 30 20 JKED CCc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cnn1-c1cccc(Cl)c1 603514515 WZFLDQFEAXCOMJ-UHFFFAOYSA-N 481.006 5.356 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)sc2nc(C(F)(F)F)ccc12 603623398 UUDSXHDEGNVNLY-UHFFFAOYSA-N 454.433 5.935 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603759100 UJECKNNIVHFGAS-FQEVSTJZSA-N 462.336 6.865 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1 603838605 ZCXRBHHEVHRLSH-CYBMUJFWSA-N 452.706 6.169 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 603968986 SKVJSVFOTPODDD-UHFFFAOYSA-N 465.987 6.157 30 20 JKED Cc1cccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1I 603992310 OXGKXZWXLAUSRN-UHFFFAOYSA-N 470.335 5.551 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCc3ccc(Cl)s3)cc2Cl)cc1 604143468 YMKOWQMJSSARJO-UHFFFAOYSA-N 460.342 5.016 30 20 JKED N#Cc1ccc(N2CCC(NCc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CC2)nc1 608983136 JSGXGCCDMLTOAU-UHFFFAOYSA-N 467.400 5.598 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609065029 RPAQATYYHRXKQH-UHFFFAOYSA-N 470.554 5.682 30 20 JKED Cc1sc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)nc1-c1ccc(Cl)cc1 609071581 JBFRBZLHTQVQJV-UHFFFAOYSA-N 463.946 5.746 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 609104058 MSNIQAHBQYRXAD-UHFFFAOYSA-N 463.559 5.951 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 609377420 VAYIJPOYIZDTOY-GOSISDBHSA-N 450.585 5.165 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2cccc(Cl)c2)no1 609388898 KNDQVQQRPWEYAH-AWEZNQCLSA-N 458.996 5.656 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nn(-c2ccccc2)c2c1CCC2 609389268 ISXMNKHGYVIHTJ-SFHVURJKSA-N 462.644 5.485 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(C)C)cc2C)nnc1-c1ccc(Cl)cc1 614950016 NITJKTTZZUIWHC-UHFFFAOYSA-N 456.999 5.611 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 615080416 FLULDBWMJMECRQ-UHFFFAOYSA-N 472.969 5.938 30 20 JKED C[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 615326918 WFGUZWGXWTVQME-LLVKDONJSA-N 486.815 6.215 30 20 JKED CN(C)[C@@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(F)cc1 617125099 WYELWQWNABHCQL-SFHVURJKSA-N 488.407 5.082 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2C(F)(F)F)c1 619673784 TXYQCWLZNSWTSY-UHFFFAOYSA-N 453.449 5.447 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1cnn(CC)c1 726110617 GVXSBBVCKJSGTH-INIZCTEOSA-N 486.812 5.010 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C#N)c(Cl)c1 726408004 WMNCVBJJHKLEKN-KRWDZBQOSA-N 493.803 5.665 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1Cc1ccsc1)c1cccs1 726416139 NHXTXQUXXVCPPT-KAVHPSCTSA-N 498.699 5.466 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)COCC(F)(F)F)c1cccs1 726421820 PWEKKZGHJVOXJA-NNHHDNHOSA-N 499.580 5.105 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccc(OCCCC#N)c3)cc2)cc1 726742915 ZKFMHCUIGGFZAU-CXUHLZMHSA-N 460.555 5.375 30 20 JKED N#Cc1ccc(CN2C/C(=C/c3cccnc3Cl)C(=O)/C(=C\c3cccnc3Cl)C2)cc1 728696707 AWJZTPJPZZTPRY-IINORCHSSA-N 461.352 5.207 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 728778490 SBUWRCIOHXYCNV-SFHVURJKSA-N 475.401 5.648 30 20 JKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 729036616 XTHYTTVRTCCHJG-YYADALCUSA-N 497.448 5.249 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)nc4cc(F)ccc34)CC2)c1 729417516 NCRBWIHJFUUAIE-UHFFFAOYSA-N 451.501 5.596 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 729555089 FJIHSBHJODYNMH-OFNKIYASSA-N 491.592 5.389 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 729630928 GJWJRJBDCDBYFP-NRFANRHFSA-N 482.968 5.343 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 730444999 RUXZWVYVUOOYBN-QFIPXVFZSA-N 497.020 5.456 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CCC2)cc1 730460912 IOHVXBGLBKLCFM-NRFANRHFSA-N 488.009 5.260 30 20 JKED C[C@H](OC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)N(CCC#N)c1ccccc1 730608106 FDLHOLCUORACKX-HNNXBMFYSA-N 475.492 5.126 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730720137 HARHLDRPCSFBIU-QFIPXVFZSA-N 492.507 5.267 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730727718 UGKDTMIGDUTUAF-RUZDIDTESA-N 496.592 5.477 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)[C@@H](O)C3CC3)c2C#N)C(C)(C)C1 730882470 FTNAVUVIBMPMGN-PAKAJVGYSA-N 482.627 5.020 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c3c2CCC3)cc1 730921238 WVNFQYIAMYWIIL-FQEVSTJZSA-N 467.356 5.191 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2SCCC#N)c1 730981975 FZLXTPHYPISVLO-UHFFFAOYSA-N 486.018 5.423 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 731070693 JZAYODOYJGXUEZ-SFHVURJKSA-N 486.553 5.322 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1 731307222 GAPNRSDOEMPZBQ-DEOSSOPVSA-N 495.645 5.319 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)c(C)c1 731313497 YDZVEWGSONTIGB-DEOSSOPVSA-N 484.581 5.041 30 20 JKED C[C@@H]1CN(c2ccc(CNCc3cccc(OCc4ccccc4C#N)c3)cc2F)C[C@@H](C)O1 731360413 BDIQYNZSPNKELL-NHCUHLMSSA-N 459.565 5.180 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 745313845 YJCJKDZWXPNIIW-CRAIPNDOSA-N 454.498 5.254 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 746055938 LHBJXDFKHVGBGW-UHFFFAOYSA-N 458.512 5.329 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2cc3ccccc3[nH]2)C1=O 746696775 UKOUYESBJHMELJ-VWLOTQADSA-N 498.608 5.645 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCc2nccs2)C1=O)Nc1cccc(Cl)c1 747603830 YKTWOSHXNOXESD-SFHVURJKSA-N 488.997 5.139 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 751149514 IKQCVNUJHGDBKT-UHFFFAOYSA-N 467.348 5.313 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cnn(Cc3ccccc3Cl)c2)c1 767227364 CUDHAPLFAFFHSI-UHFFFAOYSA-N 481.025 5.358 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NOCc2ccccc2)c(Br)s1 839421804 NLDRBWQZFNFNFL-UHFFFAOYSA-N 498.324 6.160 30 20 JKED C[C@@H](SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 849191305 ANVHONJWDJTEEA-HAFIMRKLSA-N 470.529 5.201 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1 904634474 PHQMNWHAQODJSJ-MRXNPFEDSA-N 464.950 5.792 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 914915540 CODMTXKZGKQFQS-LJQANCHMSA-N 463.603 5.098 30 20 JKED COc1ccc(-c2noc(CCCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 915104539 HIHZKORMSNQYRN-INIZCTEOSA-N 486.475 5.573 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)cs1 915776958 CYRDUXXEWBKPKZ-CJAUYULYSA-N 480.593 5.590 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=Nn1c(S)nnc1C(C)(C)C 916308454 JKEYKUXYHRXVBU-UHFFFAOYSA-N 457.818 5.260 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2c(S)nnc2-c2ccccc2)cc1OC 916544542 LBZODXLXQKWEAR-UHFFFAOYSA-N 496.596 5.045 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(Cl)cc4)cc3)o2)cc1 916882470 FVVCNFVNLGXYGU-OAQYLSRUSA-N 456.889 5.327 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928811 UWNQUGIVVWDBPX-OAHLLOKOSA-N 494.787 5.952 30 20 JKED COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916994976 AFKOLUPTYZZXIT-GOSISDBHSA-N 461.370 6.161 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 917043748 NLCRHNBKEAJTEN-DZGCQCFKSA-N 463.506 5.248 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccccc2Br)cc1 917612771 HHXUHDZBGSYYQF-UHFFFAOYSA-O 479.423 5.884 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2F)n1 917664172 KCLJIKLNJDRUBZ-NRFANRHFSA-N 497.983 5.046 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N([C@H](c2ccccc2)C2CCCCC2)C1=O 917696006 IWQWVOLLVIEEQE-ILBGXUMGSA-N 492.645 5.034 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1F 917697360 YTFMLBHFQJHTDM-IBGZPJMESA-N 493.507 5.465 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1Cl 918015564 RYTCOVHNTCLMTR-OAQYLSRUSA-N 494.407 5.609 30 20 JKED C[C@@H]1CN(c2ccc(CNC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 918209789 IGXJMDBDGKQGDE-RRCSTGOVSA-N 499.471 5.148 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 918291005 QSKBRHAKQNSIHE-AREMUKBSSA-N 453.517 5.126 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2cc(Br)cs2)n1 918486971 NSRJZDLIIPRBNO-OAHLLOKOSA-N 482.384 5.748 30 20 JKED O=c1c2ccccc2c(-c2ccc(F)cc2)nn1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918733162 NYLDMMUSNSPIJR-GJZGRUSLSA-N 473.392 5.223 30 20 JKED COc1cc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 920066342 YDURVJVJZCCEKU-WJDWOHSUSA-N 495.915 5.178 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920105574 HRRCZTXWOPTXRR-SFHVURJKSA-N 459.502 5.443 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)cc1F 920356300 PEPKPWWPHIYUME-NRFANRHFSA-N 484.528 5.039 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1 920805988 HPSQAPBBSMUBKY-QGZVFWFLSA-N 481.549 6.029 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)COCC(F)(F)F)C2=O)c1 921254187 OCKJXRNFOMBARO-XLIONFOSSA-N 493.551 5.231 30 20 JKED CSc1nc(O)c(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)cc1C#N 1584069195 VLTPNYUGBMTLNG-UHFFFAOYSA-N 452.948 5.309 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)ccc4F)CCC3)cc2)C1 1785803628 PZGLEGFUIXPOPG-UHFFFAOYSA-N 457.343 5.302 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc([N+](=O)[O-])c4Br)CCC3)cc2)C1 1785810468 UMOAYMJRDMHFJS-UHFFFAOYSA-N 484.350 5.071 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)cc2)CCC1 1786308753 RGORDRREYUWCBF-XMMPIXPASA-N 477.605 5.271 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4cc(F)cc(F)c4)cc3)CCC2)c1 1788376207 YDWIDDMNMGLNRG-UHFFFAOYSA-N 497.505 5.288 30 20 JKED COc1ccc(F)cc1CC(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788648359 CXGKUEKRHZMTCT-ZRDIBKRKSA-N 492.572 5.012 30 20 JKED COc1cscc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1788826815 HXJZCXRIMYLWDD-UHFFFAOYSA-N 468.695 5.556 30 20 JKED Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)s1 1788866027 CFPXSLKZYFFUEO-UHFFFAOYSA-N 453.684 5.250 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5[nH]ccc5s4)cc3)CCC2)c(C#N)c1 1789103254 VXKONMVKERIKRE-UHFFFAOYSA-N 484.581 5.100 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)c(Cl)c4)cc3)CCC2)c1 1789739334 HDPHECHRTHWVBZ-UHFFFAOYSA-N 483.330 5.461 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)COC4CCCCC4)CCC3)cc2)c1Cl 1790083196 WGIATKUQSOMHCM-UHFFFAOYSA-N 465.981 5.309 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccn4c(C)cc(C)nc34)cc2)CCC1 1791003288 KQUIAYHJWDOSCX-QHCPKHFHSA-N 456.590 5.467 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCc5cccc(Cl)c54)cc3)CCC2)c1 1791141494 MZLDZAINQPBWDE-FQEVSTJZSA-N 458.949 5.017 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccc(F)cc34)cc2)CCC1 1791486979 AQFHGAZPRAAHSI-SFHVURJKSA-N 478.568 5.175 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CCC2)cc1 1792264399 RGPXVTQMAZBAGN-UHFFFAOYSA-N 462.553 5.391 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1 1796503401 KOQYPUOROPTXMI-RZXSNQJFSA-N 471.523 5.231 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)F)C2 1800175822 QXYUUZZQBDWEDM-WOZUAGRISA-N 483.669 5.017 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)cc1 1801080809 OPHTZJNXYJILRE-NUNAXRQHSA-N 478.552 5.060 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c1Cl 1802778643 VYGBWKXMMAPTDO-GAJHUEQPSA-N 497.357 5.033 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(F)CCCCC1(F)F)C2 1803858932 CQCYYWDOOCKIIP-YYQBIWNASA-N 480.424 5.014 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4sc(C)nc4c3)CC2)C1 1804858404 CJFXGJWBECXJPI-UHFFFAOYSA-N 453.652 5.442 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@@H](CNC(=O)CC#N)[C@H]3c3cccnc3)cc2)cc1 1806284380 KTIZRCMYLTUXQS-LMSSTIIKSA-N 480.612 5.324 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1809338546 ZVVARYNANMYRKV-QPPBQGQZSA-N 476.646 5.312 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3cnccc23)[C@H]1c1cccnc1 1810274092 ZUDQBVGXQTWDGR-YWEHKCAJSA-N 498.703 5.001 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1810443394 HMWKTORJSJMGSO-NLJOTIRTSA-N 486.015 5.252 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1811206767 KOJCXSLXHDPZKW-OROMBRFGSA-N 480.612 5.232 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1811427960 UBUUFOBOIJGLLO-RBISFHTESA-N 466.585 5.105 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c(C)c1 1811753844 WSYLHNSMLZHKTI-GJZUVCINSA-N 487.003 5.165 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1812986582 OAEFKRQWJXOANY-NIRIFSCTSA-N 480.052 5.465 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1813838318 DELBAMRRFGQQOB-FPDDQMOCSA-N 487.003 5.304 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1813863295 IJRCDYLKJWJYRN-BYPCIHSKSA-N 487.003 5.304 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c(Cl)c1 1813881241 SLCHYZFNPWDIKA-WXVAWEFUSA-N 499.014 5.119 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813968153 NTPFJKLZOOWBRM-NFBKMPQASA-N 489.513 5.328 30 20 JKED CCOc1ccsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814343502 COAWOHHCVWMLTJ-QGZVFWFLSA-N 483.981 5.015 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)[nH]n2)cc1 1814499015 LMFBWWSRCXPXTQ-DEOSSOPVSA-N 498.974 5.032 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(OC)cc2)n[nH]1 1817772431 SHVJFMKDDFQLIW-WIOPSUGQSA-N 499.615 5.555 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)n2C)n[nH]1 1818381109 LHDSMRCFSAJRAC-INIZCTEOSA-N 465.520 5.065 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)[nH]n1 1819309548 WIHFBXZHRNUTRL-XXBNENTESA-N 468.573 5.410 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)[nH]n1 1819311245 RVCOZJZUCASRJU-QFBILLFUSA-N 456.974 5.146 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237540 NDFKIAYMHYVPMX-MHECFPHRSA-N 476.552 5.113 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 1820506691 KPSWJLMKZGYPNS-HXUWFJFHSA-N 468.344 5.208 30 20 JKED CC(C)n1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)c(C(F)(F)F)c1 1820547085 BEWMCFZCEZKJIH-OAQYLSRUSA-N 498.509 5.302 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4cccnc4)cc3)n[nH]2)c1 1821009180 RJHWRTDWXTYOHO-VWLOTQADSA-N 494.530 5.102 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)cc2O)n[nH]1 1821040538 STVNPZFTNFHPNY-GOSISDBHSA-N 489.414 5.176 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821177964 GCKRBYMMWNZJOM-JOCHJYFZSA-N 473.577 5.294 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821364134 HOOIAETVIFMIOA-DEOSSOPVSA-N 476.527 5.464 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)n[nH]1 1821868580 DBKKDMNPUNNIKS-PGRDOPGGSA-N 485.028 5.016 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)c2c1 1823210451 DIYOKUMSFKMWEQ-BCHFMIIMSA-N 494.599 5.375 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)c(C)c(OC)c2)n[nH]1 1823280896 PIGPNBLWUKIEKT-HXUWFJFHSA-N 468.598 5.034 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1823886761 OGHVIMFOACNEGM-XUZZJYLKSA-N 495.067 5.411 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1823980376 SPKXBXYGWZEKRG-NFQMXDRXSA-N 493.598 5.458 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)c1 1823984376 WGIPLSWJPIHUNI-AREMUKBSSA-N 496.026 5.146 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1824532683 GEMODRNMSRVULS-FGZHOGPDSA-N 462.059 5.009 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cccc1C(F)(F)F 1824544740 OKPBKTKGUSADFO-RTWAWAEBSA-N 470.601 5.202 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2nc(-c3ccccc3)sc2C)CC1 1825102209 NQCPFVCFTZEKIX-XMMPIXPASA-N 497.730 5.200 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991927 MYMGLCKMZFACDR-RUZDIDTESA-N 492.019 5.174 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828254628 IKQVSSPYUNOEJS-QHCPKHFHSA-N 451.636 5.032 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828320995 CZLKNVGBSKKZPV-NRFANRHFSA-N 457.039 5.592 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1828350195 FGUWADXFNSJENE-IDRNJTBQSA-N 495.623 5.570 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828828182 DSTACKSNAWUOFO-HOFKKMOUSA-N 475.633 5.251 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1828879085 CVLNEROMGVEILT-HHTJIARGSA-N 491.632 5.545 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)c1 1828996715 RAWFDSMCOHICPD-FCFFNXBQSA-N 498.627 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1829066277 ZNMJXCIORQBYIZ-QHCPKHFHSA-N 493.614 5.645 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 1829068483 YUXTXZRFGNMAMZ-FTJBHMTQSA-N 466.666 5.303 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)cc3F)CC2)c1 1830093564 DLNPIGXLYPSTKD-BVZFJXPGSA-N 465.544 5.139 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2F)CC1 1830544641 DJEAZWQHNHYYEC-QFIPXVFZSA-N 495.408 5.154 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830723366 GDCWDCQQEXLJSE-NIYFSFCBSA-N 489.019 5.386 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCC3)CC2)cc(C(F)(F)F)c1 1830755200 GVLYXTLTEHPCHP-QFIPXVFZSA-N 461.528 5.001 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccn3)nc3ncccc23)CC1 1831373355 CNCNCAQCLXYXJT-JIPXPUAJSA-N 497.643 5.137 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1832043254 NCRCZHIBTZSWGY-RUZDIDTESA-N 496.076 5.410 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(Br)s3)CC2)C1 1832170161 GJGBHFDKJVTBNM-CPSHHHPTSA-N 477.468 5.110 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3F)CC2)c1 1832397578 SAAZBPBIRZKDKH-JIPXPUAJSA-N 475.608 5.319 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1832629442 QLDJFCDIQBHTRX-HRFSGMKKSA-N 493.598 5.458 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CC2(CCCN2C(=O)C2CCC(C(F)(F)F)CC2)C1 1841799206 YRBZOEAZOUFJAK-UHFFFAOYSA-N 480.424 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)C1 1843611891 REHPSQUGCFZDRP-JOCHJYFZSA-N 465.981 5.113 30 20 JKED N#CCCC(=O)N1CC2(CCCN2C(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3Cl)c2)C1 1845542787 KZOSPCXOPNRBNK-UHFFFAOYSA-N 491.897 5.272 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 11159155 YXRUARVRWKYFSN-UHFFFAOYSA-O 489.492 6.585 30 20 JKED CCOc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3C)=C2C)cc1 11207052 MUWUPTGUIMDGBB-SANMLTNESA-N 482.609 5.614 30 20 JKED Cc1ccccc1-c1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c2cnn(C(C)C)c2n1 14362357 WKKVPWKFCVWOOZ-GOSISDBHSA-N 467.529 5.043 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1F 14872437 YSBIYAGVSQVTGA-UHFFFAOYSA-O 453.990 6.005 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 14872548 BBCWUOHPMPKRIM-UHFFFAOYSA-O 459.513 5.849 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC 15644142 YMJVDWOMUJQOLD-WNCULLNHSA-N 469.541 5.007 30 20 JKED C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nc2sc(C)c(C)c2c1=O 21253646 APAIHTKSRVNKPK-UHFFFAOYSA-N 491.598 5.567 30 20 JKED C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 21643062 OULWQCYHHCEPBC-OAHLLOKOSA-N 491.667 5.596 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(Cl)cc1 21673324 JHUBOXSFADMXRP-GFCCVEGCSA-N 451.354 5.696 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccccc1OC 21752234 JBQPKYXDEJAZCM-UHFFFAOYSA-N 464.635 6.117 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 23501139 PLOMQOWTLOGMDJ-CYBMUJFWSA-N 468.094 6.074 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1ccc(C(C)(C)C)cc1 23998911 WYRSTMCCJLODSA-KRWDZBQOSA-N 477.634 5.506 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2c(C)cccc2C)cc1 28695821 AMNVYKGGKFISBS-UHFFFAOYSA-O 490.693 6.693 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1/C(O)=N/c1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 30571085 BHALRMFWWRYTRQ-RYUDHWBXSA-N 481.405 5.659 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32291803 XUUIEVCRRIQKCB-DEOSSOPVSA-N 461.949 5.184 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1)c1ccc(F)cc1 69611189 DAXHJQYGMBYNNT-UHFFFAOYSA-N 486.343 6.248 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 69643764 YURWWYXESUWBRC-CQSZACIVSA-N 471.410 5.374 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(N4CCCCCC4)nc3)c2)cc1 71928443 QDDZQDHGKDPBSR-UHFFFAOYSA-N 469.589 5.429 30 20 JKED C=CCOc1c(Br)cc(CNC2CCN(c3ccccc3OC)CC2)cc1OCC 215595763 WVSWZPZYSGTUOI-UHFFFAOYSA-N 475.427 5.180 30 20 JKED CCOc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4)n3)oc12 303017736 YRYFLGNPRCWZKC-FMIVXFBMSA-N 450.491 6.008 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2O)c1 436679190 JMJPQRMLDLIECA-UHFFFAOYSA-N 494.345 5.342 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)ccc1Oc1ccc(Cl)cc1Cl 481310982 OOLYNFBPFSSXOW-UHFFFAOYSA-N 472.303 5.360 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2F)c1 481566336 FFEUNAQAUHODCY-UHFFFAOYSA-N 487.453 5.677 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1F 481593829 FHNZBNUSQZFKID-DEOSSOPVSA-N 473.483 5.060 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 481632049 YOMWWKLYWVIYGE-UHFFFAOYSA-N 470.504 5.718 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1 487840693 UIFOCHSQENWBOR-UHFFFAOYSA-N 490.279 5.713 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(Cc4ccc(C#N)cc4)CC(F)(F)F)cc3C2=O)c1 489035213 LFVLWTLWHMNUMH-UHFFFAOYSA-N 491.469 5.180 30 20 JKED COc1cccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)c1OC 489479518 JZJGTXMOIXQCOS-ACXJOVJBSA-N 481.596 5.751 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 491060048 MEWSVNKMVOVZTH-UHFFFAOYSA-N 497.620 6.142 30 20 JKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1 501579881 KTEZCGGUUYZUIG-QGZVFWFLSA-N 469.010 5.278 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 502713685 BIHDSWWYVNEOHQ-OAHLLOKOSA-N 491.809 5.953 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cc1 509095599 TUTOXZSMDRJGCO-INIZCTEOSA-N 458.543 5.668 30 20 JKED COC(=O)c1cc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)oc1C 510009426 ISHXATOKWFNQDP-NRFANRHFSA-N 451.910 5.347 30 20 JKED CC(C)COc1cccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 510611878 BFUFIMVEESFIJW-UHFFFAOYSA-N 453.593 5.059 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)o1 511423845 ZRWZNRGIFYNKIK-CLOONOSVSA-N 455.558 6.245 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 514174300 LKXADSWOGJFQOC-UHFFFAOYSA-N 465.756 5.632 30 20 JKED Cc1nc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)sc1SCC#N 514578082 HURMQJNDMHMXEQ-UHFFFAOYSA-N 490.473 6.374 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCC(=O)c3ccc(F)cc3)s2)c(C(F)(F)F)c1 515429684 ZUNJZZFEIDHBCZ-UHFFFAOYSA-N 461.440 5.365 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 515459325 GNONNCXIXADLII-UHFFFAOYSA-N 478.545 5.114 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccnc3SCc3ccc(F)cc3)c2)c1 515674626 VGCFOEJVIDUVIY-UHFFFAOYSA-N 482.540 5.889 30 20 JKED C=CCN(C(=O)c1cnc(-c2ccccc2F)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516335404 DODXFMRQIIWTIO-UHFFFAOYSA-N 466.519 5.814 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-])c1ccccn1 517891446 MENBOQLVNGXXSB-YJBOKZPZSA-N 470.514 5.171 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)cc1 518100078 UILSDOYCEOCPPB-UPVQGACJSA-N 476.374 5.772 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 518167570 LZCNEQYOLPQILF-UHFFFAOYSA-N 468.932 5.375 30 20 JKED Cc1cccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)c1 519127819 QRMAYXRYTQHZST-VWLOTQADSA-N 453.567 5.621 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 522451877 KQBDHEGMDBRBGV-UHFFFAOYSA-N 457.530 5.080 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 522569183 GGURMVAMEKIHRF-KNQAVFIVSA-N 464.953 5.071 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1 522950922 TUVFLOZJKYXGBD-UHFFFAOYSA-N 472.423 5.017 30 20 JKED Cn1ccnc1Sc1ncc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Cl 523443013 GJECHMOYKYTNRI-UHFFFAOYSA-N 489.988 5.517 30 20 JKED CC1(C)CN(CC2CN(C(=O)CCCCOc3cccc(C#N)c3)C2)c2cc(C3CC3)ccc21 581559929 PQFFNFYOVZDTIS-UHFFFAOYSA-N 457.618 5.241 30 20 JKED C=CCc1cc(CNC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc(OC)c1OC 588291603 DDJHJSWJUJHZSO-FQEVSTJZSA-N 496.995 5.225 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1nc2c(s1)CCCC2 601635867 LQBLELUIFOFKOX-FQEVSTJZSA-N 459.615 5.247 30 20 JKED N#Cc1cc(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)ccc1Cl 603733014 OCCSOOLWKFHTCO-UHFFFAOYSA-N 465.296 5.007 30 20 JKED COc1cccc(NC(=O)[C@@H](Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc2)c1 604045618 BCKSPWFLGWDVIH-LJAQVGFWSA-N 477.564 6.132 30 20 JKED COc1ccc2cc(CNC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc2c1 604136341 AVAQYJXXBXFGRP-RUZDIDTESA-N 483.955 5.412 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 604468238 NSCBYOFTNVPFKP-OAQYLSRUSA-N 474.992 5.633 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)CC2)cc1 609001855 QHBAKORGPQFBTH-UHFFFAOYSA-N 484.575 5.022 30 20 JKED N#CCn1c(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cc2ccccc21 609159549 NLIXNADFGCISRZ-UHFFFAOYSA-N 498.486 5.237 30 20 JKED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1nc(-c2ccccc2)cs1 613392113 HFSGTRAZQOKNQA-DEOSSOPVSA-N 499.617 5.047 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCSc2c(F)cccc21 616407360 TUSOAZXEAFDTNQ-CQSZACIVSA-N 466.378 5.155 30 20 JKED Cc1cccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1NC(=O)c1ccccc1F 618521427 LFMKGLJKINJLAS-KBPBESRZSA-N 476.392 5.589 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 619365788 QSWQTDRWFRNXEV-UHFFFAOYSA-N 455.514 5.491 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 637308455 AFMSIJDHDKYNDS-UHFFFAOYSA-N 493.426 5.401 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2cccc(F)c2)c2nccn2C)cc1OCC 642339769 OZDQYMFKPITKHF-NRFANRHFSA-N 474.374 5.164 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)C2CCCCCC2)c1 669757544 IKNYGOABELOPHT-UHFFFAOYSA-N 461.027 5.516 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726229065 DLFXMMLYIFDTKT-KDYSTLNUSA-N 481.600 5.481 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccsc1)c1cccs1 726420981 NIQFHKLMUNCAEW-LFBRLHLCSA-N 473.620 5.539 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@@H](C)c1cccs1 726421645 RHPWDJIGTBQZOI-HYXVFRCXSA-N 496.427 5.186 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2OC)[n+]2ccc(C(CC)CC)cc2)c1 726572950 ROSSLVBOIRVTGD-UHFFFAOYSA-O 457.619 6.191 30 20 JKED CC(=O)N(c1nc(/C=C2\COc3cc(C)c(Cl)c(C)c3C2=O)cs1)c1ccc(F)cc1F 727780862 VKCPNOHPSGTMBP-VGOFMYFVSA-N 474.916 6.035 30 20 JKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cs1 728372241 LEROMULHWILJQU-UHFFFAOYSA-N 470.554 5.464 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccccn1 728423887 REGWLZKQCDPFFS-JOCHJYFZSA-N 489.988 5.076 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1 728424326 YYPLWFQQRWPEEH-HXUWFJFHSA-N 460.584 5.089 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2C2CCCC2)cc1Cl 728429060 FJNKCVFKFGOIIF-OAQYLSRUSA-N 482.993 5.123 30 20 JKED C[C@H](C#N)Oc1ccc(C=C(C(=O)N[C@H](C)c2ccccc2)C(=O)N[C@H](C)c2ccccc2)cc1 728694972 OJBZLPPQZHPCBD-YPAWHYETSA-N 467.569 5.116 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 728778122 QFEIBCQRQXVKGQ-IBGZPJMESA-N 458.946 5.133 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H](O)c3ccc(OC(F)(F)F)cc3)c2)cc1 729570407 IIIMDXVOGYHSRI-OAQYLSRUSA-N 457.408 5.104 30 20 JKED COc1cc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)ccc1OCC#N 730437142 ZJEYHRWRQPARCA-NTCAYCPXSA-N 481.371 5.696 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 730444878 QMABPYMPJPTQEI-NRFANRHFSA-N 482.993 5.148 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc3ccccc3n1C(F)F)O[C@H](C)C2 730690434 SZLCUAFAHFFRQE-KCMWZYNZSA-N 451.473 5.133 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc(I)o1 730994262 IAEVCXJZAVMCDI-QPJJXVBHSA-N 492.260 5.561 30 20 JKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 731078459 OBVDLMAZMNNDJQ-CNYBTUBUSA-N 462.493 5.542 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2F)C[C@@H](C)O1 731400875 WRKSQSAGLSSHNC-KSZLIROESA-N 456.587 5.155 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1[C@H]1COc2ccccc2O1 745956875 MLNYYBRASCAYOU-OXQOHEQNSA-N 461.547 5.188 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 746696660 TUDHAGBIGPVINR-FQEVSTJZSA-N 477.989 5.256 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(C(=O)N(CC)CC)CC2)c1=S 746711554 JPYYYIOTFFNFOW-UHFFFAOYSA-N 469.699 5.102 30 20 JKED Cc1nsc(N(C)C(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)c1C#N 748234040 BRNKJIMVRKBFSP-UHFFFAOYSA-N 476.414 5.675 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)cs2)cc1 749313458 SABCMVJCNCMGTJ-GOSISDBHSA-N 463.559 5.089 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 750706221 SNVVWLWXJIWKTK-HSZRJFAPSA-N 473.529 5.278 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)CCc2ccco2)c1 837349381 WSEZEDJMJIGQAO-UZUQRXQVSA-N 495.576 5.409 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2cccs2)C1=O 837401504 ACPGYGJSNRSSIO-JOCHJYFZSA-N 479.627 5.534 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1ccccc1 838488735 LSBAVEZFNBOLPL-DEOSSOPVSA-N 487.581 5.058 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(O)cc2)c1 880930793 FIQHAHGTXUUWSG-UHFFFAOYSA-N 491.396 5.010 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl)[C@@H](C)c1ccc(C#N)cc1 914509376 IJEDMIAZJFCXMQ-KRWDZBQOSA-N 499.995 5.399 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=S)Nc2ccccc2F)cs1 915921443 VZVXDMVTPPHYBG-UHFFFAOYSA-N 481.500 5.306 30 20 JKED CC(Cc1ccc(-c2ccccc2)cc1)=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O 915927590 SWBQBIAVDFCYHM-UHFFFAOYSA-N 469.614 5.056 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(C)c1 916216165 QQUGOTQAOIXSEK-SFHVURJKSA-N 480.417 5.217 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccccc2Cl)c1)c1ccccc1Cl 916276638 DYRFBBQMKISTBS-UHFFFAOYSA-N 468.369 5.675 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl 916277539 KOVVBRZDBILAHN-UHFFFAOYSA-N 492.914 5.291 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OCc1ccccc1 916883361 JXYKNALOEAIIMF-FQEVSTJZSA-N 482.508 5.550 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COc1ccc(Oc2ccc(C)cc2)cc1 916902604 GBDGZGXYWSRRGV-VWLOTQADSA-N 456.542 5.639 30 20 JKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916909170 OYHJJNPOVPXCRV-YHYVQYDKSA-N 453.498 5.035 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 916954018 PJXZFXSDENNFOJ-LJQANCHMSA-N 465.849 5.010 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 916974358 IXLFRLBIXDNEGC-FQEVSTJZSA-N 460.584 5.281 30 20 JKED CC(C)[C@@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995009 ALLPBLIQOYFESF-RDTXWAMCSA-N 478.426 5.809 30 20 JKED COc1ccc2c(ccn2CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916996112 GIIWFUJGRLIAHS-KRWDZBQOSA-N 456.354 5.957 30 20 JKED C=CCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1 916997210 TVJJNEUTZSNWKK-QGZVFWFLSA-N 473.381 6.109 30 20 JKED COCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)sc2cccc(F)c12 917045210 YMQUWAICKWAMRG-LLVKDONJSA-N 464.465 6.305 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)n1 917047516 ZDLBWXQNDSLOMX-INIZCTEOSA-N 456.017 6.497 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)SC1=S 917645012 QPYDIPHUTOHXJU-CIAFOILYSA-N 487.518 5.091 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccc(C)s2)c1 917666716 KADZJXYHVHUXDF-QFIPXVFZSA-N 495.626 5.234 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C)s2)cc1 917685192 VKYDRFJRPCPGAP-JOCHJYFZSA-N 495.626 5.234 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 917701066 QTYAPDPWGBEMTN-CLOONOSVSA-N 480.593 5.956 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 917701068 QTYAPDPWGBEMTN-KBMIEXCESA-N 480.593 5.956 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2OC)c(OC)c1 920109957 LDOQMOCVMNJFCY-JOCHJYFZSA-N 497.551 5.141 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C4SCCCS4)cc3)n2)cc1 920139861 ZVPKAYYVLFIHHK-IBGZPJMESA-N 452.626 6.177 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc(-c4ccc(F)cc4)s3)n2)cc1 920140393 FUAUCHSXPBCMFK-FYJQUHEMSA-N 455.539 6.439 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2nnn(-c3cccc(Cl)c3)c2C)cs1 920388642 GZXVVSMZLFOLIF-FLIBITNWSA-N 498.395 5.920 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc(-c2c(F)cccc2F)cs1 920803771 BXEZNVLSUOUOEL-MRXNPFEDSA-N 488.606 6.212 30 20 JKED Cc1csc([C@@H](C#N)C(=O)CSc2nc3scc(-c4ccccc4Cl)c3c(=O)n2C)n1 921275364 CNXCTCUPOVAZKU-ZDUSSCGKSA-N 487.031 5.049 30 20 JKED C=C(Cn1c(C2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1722541631 OBXVEXXDMVWGIG-FQEVSTJZSA-N 451.615 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1780988154 OCPQSONEENITBS-PDDLMNHVSA-N 491.676 5.214 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3Cl)cc2)CCC1 1785955696 WPPRWFUQXMPXPP-UHFFFAOYSA-N 486.996 5.088 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC=CCC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1786076377 MYBACORPNKIYIF-OFNKIYASSA-N 479.621 5.042 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ncccc34)CCC2)cc1 1786104459 UWMFKVDFABMEPI-UHFFFAOYSA-N 456.590 5.398 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1786367141 BIZSNMJXNMPSBF-UHFFFAOYSA-N 477.992 5.619 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3OC(C)(C)CC4)cc2)CCC1 1788496364 DLZBLZNUWZVCRI-UHFFFAOYSA-N 490.600 5.047 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc4c3OCO4)cc2)CCC1 1788989288 ORLJYCKGCFHWHC-UHFFFAOYSA-N 452.938 5.010 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(OC)ccc4o3)cc2)CCC1 1789238633 SPFHSGMQTBRKJQ-QHCPKHFHSA-N 458.558 5.958 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc(O)c4ccn(C)c34)cc2)CCC1 1789995347 INOLCFIKOCPYHI-UHFFFAOYSA-N 460.578 5.019 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3C3CC3)CCC2)cc1 1790519525 DUTJERFEIOHGPZ-VABKMULXSA-N 481.637 5.026 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc(I)c4)cc3)CCC2)C1 1790617595 UGPSFADHTFBKLL-UHFFFAOYSA-N 486.353 5.005 30 20 JKED COc1ccc(Cl)c(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)c1 1792240532 FYPOIDSAZLORKS-UHFFFAOYSA-N 489.959 5.047 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@]3(F)CCCC=C3F)cc2)CCC1 1792376412 FMPBRWXMRASIEW-CJZRDCOESA-N 470.541 5.367 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Cl)cc(C(F)(F)F)c1)C2 1793053832 VWURHLPPBUARHL-WKCHPHFGSA-N 468.947 5.308 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCCC1(F)F)c1ccc(C#Cc2ccccc2)cc1 1793720770 IJTPNXMZZYUGIV-QYOOZWMWSA-N 476.567 5.164 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 1797019747 GOYUUMFGVWRACD-CLLJXQQHSA-N 478.364 5.022 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Br)c1 1800439204 DMQPGRLANQSYCT-BJWYYQGGSA-N 467.835 5.347 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccc(Cl)cc4[nH]3)[C@@H]2c2cccnc2)c1 1802378653 MAARBZRXDOOJSC-LVXARBLLSA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1802503092 KWUWYCAZSQOZGW-DVECYGJZSA-N 479.024 5.528 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1803078870 DZHXQCNFUJBHGR-GMQQYTKMSA-N 459.634 5.296 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1803083544 FVYAFZVFHAUCEG-HFZDXXHNSA-N 491.035 5.613 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1803084182 OYHDEUWRIJVXSU-SIKLNZKXSA-N 475.511 5.090 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1803087027 QEZMFDGKUYXVAL-CVDCTZTESA-N 472.416 5.476 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@@H]2c2cccnc2)C1 1803223573 WHJSYBCJSWINIG-UZWGSGPUSA-N 492.063 5.681 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnc4cccc(Cl)c4c2)C3)c1 1803685004 TXDBEMFTOPTHEU-ZIPUMODLSA-N 472.976 5.081 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc3ccccc3c2)[C@H]1c1cccnc1 1807893161 UDSKNQGIYXQFPD-PDDLMNHVSA-N 488.591 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1810168386 INGZNHXNRPTCAX-DKRHUIDYSA-N 482.628 5.473 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810268309 STVDIUGMUXXIIL-BKMJKUGQSA-N 496.127 5.414 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC3(CCN(C(=O)c4ccc(CC#N)cc4)CC3)C2)c1 1810341397 HHXFOVLIMGWZFW-UHFFFAOYSA-N 492.623 5.282 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[C@H]1c1cccnc1 1810470400 ZCMMQMYKMQWIIQ-FQLPYIGMSA-N 487.550 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1810500473 QTOJEFQPQFOGBK-NQIIRXRSSA-N 482.675 5.373 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)no2)[C@@H]1c1cccnc1 1810863974 NTQIHTYYRLMGQC-RDGATRHJSA-N 472.589 5.049 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc4occ(Cl)c4c3)[C@@H]2c2cccnc2)c1 1811436733 XBURJIUNGPGZCX-RLWLMLJZSA-N 498.970 5.295 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CCC3)[C@@H]2c2cccnc2)c1 1812514056 CROCXEBRQUSUBZ-BVAGGSTKSA-N 499.014 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1812787771 TVRASPMWFVUGPN-FUZIDMDMSA-N 451.655 5.462 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccccc3C3CC3)[C@H]2c2cccnc2)c1Cl 1813756129 DMHCIRXHBGYWGZ-QFQXNSOFSA-N 484.987 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1813990247 GHNOTPRYWAQWSW-FKCDAAJZSA-N 491.607 5.098 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[C@H]1c1cccnc1 1814108338 UAJPGRKBDHYRJU-VCTRFXNDSA-N 487.550 5.013 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)[C@@H]2c2cccnc2)c2ccccc12 1814300229 PSMAPKNSUTZRCU-LBNPDIFZSA-N 489.685 5.136 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)sc2c1 1814378763 UHSOIJYHQWASJM-JOCHJYFZSA-N 498.612 5.138 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)[nH]n2)C1 1814398539 LSIPXPRBQMVAON-SFHVURJKSA-N 466.891 5.354 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)[nH]n2)c1 1814740012 QUIZRGFYIYYLIR-WDEPAJCISA-N 493.611 5.028 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(F)cc3F)n[nH]2)c1 1815522324 NNIZHCMZDRCFSS-HHKSNPGESA-N 489.526 5.334 30 20 JKED Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1815563096 DTCVVJXLYBVUCQ-NBGIEHNGSA-N 469.589 5.284 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c(O)n1 1816240848 SHSFWSIEWCESJW-OAQYLSRUSA-N 497.958 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3nn2)n[nH]1 1817934431 RZKROKLQLFEBMC-XMSQKQJNSA-N 478.984 5.081 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)cc2s1 1818117123 BAZBXRHHVRPMAB-DVBCCOPCSA-N 493.614 5.067 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ncccc3-c3ccccc3)n[nH]2)c1 1818311341 ZPLQICBQLJEDAS-RUZDIDTESA-N 490.567 5.272 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4[nH]3)n[nH]2)c(Cl)c1 1819190891 ORZWZNDKOGKLDZ-LJQANCHMSA-N 478.965 5.097 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)[nH]n2)c1Cl 1820224012 VRWKUVVPUUYMAJ-NRFANRHFSA-N 491.954 5.112 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)cc1 1821179856 OBLFGZFJBPCLRG-NRFANRHFSA-N 483.906 5.027 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(Br)ccc2F)[nH]n1 1821918273 IKZMRJCIJCLTQO-QRWLVFNGSA-N 491.405 5.148 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1821920071 GUVKJKZJLBCXFO-LIRRHRJNSA-N 453.974 5.371 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC#N)[nH]n1)c1ccc(OCc2ccccc2)cc1 1822253381 HGIBZMKVPFDYAE-LBNVMWSVSA-N 499.615 5.334 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n[nH]2)c1 1822575717 YKFLHRCFAMBZHA-KWQRXZIBSA-N 467.573 5.146 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)ccc2c1 1823215653 ZEBOTUYUXJCCOI-AFMDSPMNSA-N 492.583 5.513 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 1823682532 ILBYQLHBMOTUKF-RUZDIDTESA-N 464.009 5.078 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 1823753871 LTZOVJJVANHVQQ-NRFANRHFSA-N 465.560 5.326 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 1823753955 RNLUKBRYZXWYBD-AREMUKBSSA-N 476.665 5.157 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1824051304 HWINCZXVNSPCQL-UKPNKINUSA-N 494.639 5.305 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1824539293 VFPLTGXEALVPAF-KNQAVFIVSA-N 462.656 5.228 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824827544 CHHXHCRELOITFW-ACBHZAAOSA-N 464.519 5.186 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F 1824850966 VTNFIGIFJFGMTO-LJQANCHMSA-N 494.451 5.125 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1824952460 PFQRDHUJZXPPMU-WNCULLNHSA-N 487.644 5.243 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)c1 1827334586 OVHRCCCAYRWIOK-AOYPEHQESA-N 479.690 5.245 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)CC1 1827936954 OQBBTQIIDWXZMB-HXUWFJFHSA-N 465.560 5.046 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828351534 UDTHUDATKRXCHN-HOYWAMICSA-N 454.636 5.020 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)cc1 1828550365 SRFCHBGFOPLFEZ-FQEVSTJZSA-N 463.628 5.382 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3cc(C)c(C)cc3[nH]2)CC1 1828827590 YFZOEVGRJRBRSU-RCZVLFRGSA-N 462.638 5.181 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccsc2)CC1)c1ccccc1 1829032165 FKCBCQLLJHOPAF-CLJLJLNGSA-N 462.659 5.108 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1830630056 GEBBUYBWMVCZMN-NDEPHWFRSA-N 498.602 5.434 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)c(C)c1 1830696766 NPTYQIRDSMPUPT-AREMUKBSSA-N 473.617 5.039 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)c1 1830716828 CZHWINKGDITHBY-SXBBHYFQSA-N 499.508 5.061 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)CC1 1830754077 QAXRAPYBEIQEET-QHCPKHFHSA-N 473.608 5.122 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1830784748 TUQCKRKKWJIJLD-YJGSSNSBSA-N 490.431 5.247 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)Cc4ccc(F)c(C#N)c4)CC3)cc2s1 1830889473 AIKHOSINRKPULX-DEOSSOPVSA-N 492.620 5.025 30 20 JKED CC(C)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1831383890 DJYNXHOOMMIKBR-XMMPIXPASA-N 453.627 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)CC1 1832560623 WJJHHQXAFKKVFC-VWLOTQADSA-N 450.623 5.013 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c(Cl)c1 1832605175 DBTKEXOCJIPODP-DGSRBQDKSA-N 485.049 5.382 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)c1 1832635191 WSNUJTOAOHSWNK-KOSHJBKYSA-N 498.549 5.275 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)cc1Cl 1832785059 FBMPVFLBPXHSEU-JOCHJYFZSA-N 472.029 5.054 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2scc(-c3cccs3)c2c1=O 11382821 XQLJCFVNCKEWGP-UHFFFAOYSA-N 467.641 5.720 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 11451637 PGLAHQWJZCEPPA-UHFFFAOYSA-N 470.598 5.465 30 20 JKED C[C@H](OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12271156 ZUGUDPDFUNIXAE-AWEZNQCLSA-N 499.539 5.325 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)cc2F)c1 15314184 QVTRTQPKADIYHM-UHFFFAOYSA-N 488.968 5.430 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2sccc2c1=O 16726969 KBQCALSYUSHPIZ-SNVBAGLBSA-N 473.929 5.436 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2cc(-c3ccccc3)sc2c1=O 17163060 RTHSAFVJGAXLIL-UHFFFAOYSA-N 472.595 5.108 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c2c1=O)CCCC3 17652916 LFJOEZUSLCHNFT-CYBMUJFWSA-N 495.586 5.334 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Br)cc1 24015597 WEDHHLXRUBIKRB-INIZCTEOSA-N 471.424 5.630 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(Br)s2)nnc1-c1ccc(Cl)cc1 26043385 RVBRBSIDYUZKMP-UHFFFAOYSA-N 483.844 5.017 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(COC)c2)nnc1-c1ccc(Cl)cc1Cl 29144974 UGOJCMYBFYXUQZ-UHFFFAOYSA-N 463.390 5.315 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29955943 SAZRTGLPQBXMOU-DEOSSOPVSA-N 494.521 5.147 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 31777067 RCKOAIYELVHMAE-UHFFFAOYSA-N 497.576 5.215 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)c2)c1 32290092 PUSOZIPDYCJVMW-UHFFFAOYSA-N 457.917 6.017 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 32786108 IADMHPGKMJOCFW-HNNXBMFYSA-N 471.508 5.977 30 20 JKED N#C[C@H](C(=O)CSc1nnc(NCc2ccc(F)cc2)s1)c1nc(-c2ccccc2)cs1 69497592 ZBNXSPDCCNHKCH-QGZVFWFLSA-N 481.603 5.381 30 20 JKED Cc1nc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)sc1SCC#N 71927532 GKGQBFWLUHKNSR-UHFFFAOYSA-N 479.356 5.408 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1Cl 107647899 CWTCXKCYYLRTRN-OAQYLSRUSA-N 487.968 5.296 30 20 JKED CCCCCCCCc1ccsc1-c1ccc(-c2sccc2CCCCCCCC)s1 137794429 KTCQQLXSHIGYTB-UHFFFAOYSA-N 472.829 11.011 30 20 JKED C=CCn1c(SCc2c(-c3ccccc3)nc3ccccn23)nnc1-c1ccccc1OC 301634069 IVZSZIOUPDYQPX-UHFFFAOYSA-N 453.571 5.747 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1cccnc1 302764872 BVPRUBOAFDAIGY-GOSISDBHSA-N 473.627 5.797 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 302978235 PIKIDVWBZHEMOE-XNMGPUDCSA-N 451.570 5.606 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 479121653 XTVBHCUJZKDMGN-UHFFFAOYSA-N 453.523 5.278 30 20 JKED COc1ccc(Sc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2Cl)cc1 481047235 LAXGVXDIDJNDQJ-OAHLLOKOSA-N 465.962 5.187 30 20 JKED CC(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 487177872 QYPZROGIWVUYNH-DEOSSOPVSA-N 459.977 5.619 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)s2)cc1 487417161 KPKFLKACERQZBV-UHFFFAOYSA-N 450.470 5.110 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2Cl)cc1 491053742 UVMINDQNIDRSQL-SFHVURJKSA-N 492.938 6.026 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501449507 JUXFZUDUHMXYRU-RUZDIDTESA-N 475.976 5.378 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](CO)Cc2ccc(F)cc2)cc1Cl 502738076 CLHQOYHBVTVCNU-FDDCHVKYSA-N 451.929 5.107 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)n2)cc1 502763125 NAWQALVUMFUNMS-GOSISDBHSA-N 463.444 5.376 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 503175586 DROUHLFBHKIYAN-UHFFFAOYSA-N 483.549 5.280 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)cc1 505643736 FSGGLOJTQBKBTH-RUZDIDTESA-N 459.571 5.088 30 20 JKED C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 506293797 HGNAIELIVIQOCX-SQJMNOBHSA-N 454.574 5.289 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 508161922 LZWXHZWQDDNTBB-JOCHJYFZSA-N 486.399 5.051 30 20 JKED Cc1nc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)sc1SCC#N 508978534 JPEKHRXPQKAWDZ-JQHSSLGASA-N 475.039 5.133 30 20 JKED CN(Cc1ccccc1N1CCCC1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 511309067 QXNXNTUKPUKLSL-XMMPIXPASA-N 487.003 5.193 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 511391330 OMPCBHMPDQBPOV-LJQANCHMSA-N 459.546 5.622 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 511861214 SCXNVHZVSAZWNB-AREMUKBSSA-N 485.559 5.214 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cc1 512489429 PYCMXQXOZQLSSZ-XLIONFOSSA-N 483.553 6.085 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1OC 515306443 BXZRVLCNCIFURS-CQSZACIVSA-N 493.416 5.478 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5n4C(F)F)cc3)o2)c1 515539093 JPDJHACDZWZIPA-LJQANCHMSA-N 469.451 5.947 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)cc1Cl 519107125 SKIBFUPVLBQPMI-AHKZPQOWSA-N 494.982 5.370 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 519424100 SKCZWIWMFVTDEA-AWEZNQCLSA-N 455.992 6.158 30 20 JKED N#C[C@H](NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1cccc(Cl)c1Cl 519485306 RZVVURRRIDBNBM-SFHVURJKSA-N 484.305 5.245 30 20 JKED N#C[C@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc(-c2c(F)cccc2F)cs1 520432079 LMRVPBLGZPXFKP-OAHLLOKOSA-N 457.465 5.288 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 520990456 SHCMDYUGSNBEMP-UHFFFAOYSA-N 472.969 5.151 30 20 JKED COc1ccc2c(-c3ccccc3)c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)oc2c1 521286660 DNEOVGMNARINQI-SFHVURJKSA-N 457.436 6.343 30 20 JKED COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OCC(F)(F)F 521326272 YRGZMYGQOYNNCF-UHFFFAOYSA-N 472.467 5.283 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 521727466 UJINYMCPCJNHBY-DLBZAZTESA-N 461.547 5.667 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccc(Oc2ccccc2)cc1 522497066 WCURVJYIOGEMCH-LJQANCHMSA-N 478.508 5.354 30 20 JKED C[C@@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1c(Cl)cccc1Cl 523577951 NASKMOHSASGMAN-AWEZNQCLSA-N 473.360 5.249 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccc1OC(F)F 523641186 RFEGCLHWJHKTMV-HXUWFJFHSA-N 495.482 5.167 30 20 JKED O=C(NC[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)Nc1cccc(F)c1 524274137 ZEKKWYJTKBFPDC-CYBMUJFWSA-N 491.407 5.537 30 20 JKED Cc1sc(NC(=O)c2occc2COc2cccc(C#N)c2)nc1-c1cccc([N+](=O)[O-])c1 555143898 PURPVDJWTYVPRE-UHFFFAOYSA-N 460.471 5.323 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)c(C#N)c1C 590783507 RXXQQGSNPVBHQV-UHFFFAOYSA-N 460.515 5.177 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 603527417 OKAXKOIXVVECJE-UHFFFAOYSA-N 457.917 5.063 30 20 JKED CC(C)c1sc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc1-c1ccccc1 603891725 PUJFYOHMSXGQJG-UHFFFAOYSA-N 487.585 5.908 30 20 JKED COCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](C)c1cccc(C(F)(F)F)c1 603956642 XXPKMHQGFZOYKR-KRWDZBQOSA-N 472.463 5.599 30 20 JKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)cn2)cc1 603987273 KAKYEIKCRPHNNF-UHFFFAOYSA-N 454.722 5.507 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccccc32)cc1Cl 604131523 FCAQEIRBDMSTDS-RBBKRZOGSA-N 461.974 5.287 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)c1 604288814 UWWAJVPVVPWEFJ-HOTGVXAUSA-N 484.400 5.405 30 20 JKED COc1cccc(CN(CC(C)C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604500721 ZXFTYJCZMRTSQG-UHFFFAOYSA-N 457.574 6.030 30 20 JKED CCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604506944 CXNSHBMDCKTSBD-JOCHJYFZSA-N 463.940 5.512 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3oc4ccccc4c3CSc3ncccn3)cn2)cc1 604528271 LVZXGGXUUNVYRK-UHFFFAOYSA-N 479.521 5.826 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1I 604562529 AXELWHAOFUPMPK-HTQZYQBOSA-N 483.165 5.070 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)cn2)cc1 608865252 JEQFVSGYOUOFGS-QFIPXVFZSA-N 494.473 5.457 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 609143576 ZWJOLGYFEQGTGO-UHFFFAOYSA-N 480.593 5.920 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)c2)c1 609206415 NNIRIIZJZMZZTP-UHFFFAOYSA-N 492.539 5.272 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)s2)cc1 609355301 WZWPYXNWWPRZFL-IBGZPJMESA-N 487.629 5.420 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2cc(Cl)ccc2c1=O 609369904 SDLKGUYBRYNAND-OAHLLOKOSA-N 487.050 5.442 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609376791 JRWNYADDJKSRDI-OAHLLOKOSA-N 472.545 6.410 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 613623814 ALFHZQNUVBIHLY-STQMWFEESA-N 496.448 6.087 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 620890538 WWIQBLKBQGRBPR-BZUAXINKSA-N 454.430 5.063 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2ccccc2n1C(F)F 642282396 NNFZKGNNYQHVPA-CYBMUJFWSA-N 463.341 5.265 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nc2cc(Cl)ccc2c1=O 677645040 UUXIAIVZTXRNSG-UHFFFAOYSA-N 465.962 5.154 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 726114765 YWSXXNNJOBDLRI-JTSKRJEESA-N 495.674 5.611 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc2ccccc21 726307142 MCABSJPHXFGYBH-OZXSUGGESA-N 477.568 5.014 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CC[C@H](C)OC)C1=O 726397037 GLCHENPJGRQCAL-HRAATJIYSA-N 490.025 5.042 30 20 JKED Cc1nnc(Sc2ccc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)c(C)c2)s1 728273172 HUFBHIHLNIDJCP-UHFFFAOYSA-N 459.600 5.838 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 728778109 QDZTVHBIKCFNGC-IBGZPJMESA-N 458.946 5.133 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 729404858 XSEHQWJUGDOXQE-UHFFFAOYSA-N 490.354 5.084 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 729634130 INJBGYKGKOZPGJ-NRFANRHFSA-N 498.530 5.569 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cc(F)ccc3F)C2=O)cc1 729634934 XLPVSLRNYJLFII-QHCPKHFHSA-N 493.535 5.328 30 20 JKED N#CCCn1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c2ccccc21 730583580 JCJCSABGSZFIIA-UHFFFAOYSA-N 471.373 5.203 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cocn3)C2=O)cc1 730712527 NBZBIQCQFRBKJX-OAQYLSRUSA-N 498.992 5.196 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](c2ccccc2)C2CC2)c1 730727754 UXCMXKVIGHCYDJ-XUZZJYLKSA-N 489.576 5.036 30 20 JKED N#Cc1ccc(OC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)cc1 730735015 BZQMLYSPJWLDOM-UHFFFAOYSA-N 460.721 5.049 30 20 JKED C[C@H](OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 730857421 GTGUKVJEJAKQKD-ZETCQYMHSA-N 494.294 5.240 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 730919326 BVOKFTAIXSHUQX-KBMIEXCESA-N 474.582 5.135 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)c([N+](=O)[O-])c1 730944714 ZFUPZSYWWARULX-HTAPYJJXSA-N 489.557 5.020 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)s1 731069862 MUSQQKACTXIRBO-OAHLLOKOSA-N 454.548 5.744 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 731077278 JCNXCTVDGLXOSL-CQSZACIVSA-N 489.475 5.550 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 731192834 PRHOGXFDJMVHHI-UHFFFAOYSA-N 482.536 5.640 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)c(Cl)c2)C1=O)Nc1cccc(O)c1 731308608 OCNMJMGHJCXJBK-OAQYLSRUSA-N 483.952 5.345 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)c1 731371857 PLNTUQKCCGJEEG-RGVLZGJSSA-N 463.971 5.591 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)cc2F)c1 745583867 KGCFMWJRJNEUFI-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O 746033478 VBAVDSATNSNCKN-UHFFFAOYSA-N 487.401 5.566 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccc(C)cc2C)s1 747112028 LPRUDVNPLLKZSG-MRXNPFEDSA-N 453.951 5.359 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)nc3Cl)s2)c(C(F)(F)F)c1 747639736 PKVAZJUOWFKMGB-UHFFFAOYSA-N 457.264 5.578 30 20 JKED Cc1csc(SCc2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2)n1 875067669 ZPZADOYQASVKMB-UHFFFAOYSA-N 462.625 5.915 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N(O)Cc3cc(Cl)cc(Cl)c3)nc(O)c2c1C 901379658 MWQNTJPWCOZNEZ-LLVKDONJSA-N 472.419 5.360 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)c1 913117756 GYYFUWXCEDVHIC-OAQYLSRUSA-N 496.976 5.052 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914546808 IEMZRRYIOAHZKO-IFMALSPDSA-N 453.995 5.092 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@@H](C)Cc2ccco2)C1=O 914690252 OOMPEWNEBURNSJ-OYHNWAKOSA-N 499.539 5.158 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)Cc2cccs2)cc1 914694966 ZLVCQHIGWRGWGW-VGSWGCGISA-N 479.627 5.348 30 20 JKED Cc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(F)cc2)o1 915110708 ALHFGAGUBSZLCZ-OAQYLSRUSA-N 487.503 5.208 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3c(Cl)n2)n(C2CCCCC2)c1C 915448643 GFIDUUJICIVCPV-UHFFFAOYSA-N 464.953 5.479 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 915740633 BPESSYACLHUPEK-JOCHJYFZSA-N 451.979 5.316 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(Cl)c1 916211331 COHOXZZMCHUSCC-OAQYLSRUSA-N 467.978 5.100 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916211880 GHFSNRBAELQTFA-MOPGFXCFSA-N 478.401 5.133 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1F 916546410 PKEJAHNLEMLFTF-UHFFFAOYSA-N 496.951 5.473 30 20 JKED N#C[C@H](C(=O)COc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 916887010 LMSJJAHTCGGOKT-OAQYLSRUSA-N 466.509 5.318 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)COc1ccc2oc3c(c2c1)CCCC3 916901698 AFMHWGIOQMZPPC-GOSISDBHSA-N 466.921 5.008 30 20 JKED C=CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 916924063 QLUOIORHNGHXIV-UHFFFAOYSA-N 466.519 5.757 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1OCC 916936294 GOAWPBHPOGCGLL-CQSZACIVSA-N 453.297 5.281 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 916948037 RDRWOTUYCGQYQK-DNVCBOLYSA-N 479.989 6.128 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2Br)cc1)C(=O)Nc1ccccc1C#N 917300664 FQHFHSYVBSUARC-MRXNPFEDSA-N 479.330 5.084 30 20 JKED C#CCN(Cn1nc(-c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1=S)[C@H]1CCc2ccccc21 917456508 JUDMFMZRBLAYHI-LVXARBLLSA-N 483.641 5.322 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2cccc(Br)c2)c1=S 917482654 LKCNYAXKQOCAKZ-HXUWFJFHSA-N 485.451 5.833 30 20 JKED COc1ccc(/C=C2/CC3(C/C(=C\c4ccc(OC)c(F)c4)C2=O)C(=O)Nc2ccccc23)cc1F 917517570 IQKQDHIKLMIKFO-UHWBUFEVSA-N 487.502 5.702 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cc(Cl)cc(Cl)c2)s1 917695423 NCJLXOUYEIMUGQ-KRWDZBQOSA-N 468.431 5.164 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 917701236 LNKHWGGVIXVEPC-QHCPKHFHSA-N 489.000 5.050 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3F)C2=O)c1 917703732 QJRYCDPFPFZUCN-XMMPIXPASA-N 486.572 5.475 30 20 JKED N#Cc1cccc(OCC(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 918563345 LGGYHNGNSIUEJY-HXUWFJFHSA-N 487.503 5.292 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3c(C)noc3C)C2=O)c1 920353440 JPSKWTFSHYKARU-DEOSSOPVSA-N 490.629 5.686 30 20 JKED COc1cc(C(=O)/C=C/c2cc(Br)c3c(c2)OCCCO3)ccc1OC(F)F 921261570 MEMIWXBASUFEKI-HWKANZROSA-N 455.251 5.117 30 20 JKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1Cl 929077158 JLQLAHKFVYVVLX-UHFFFAOYSA-N 454.917 5.388 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)C1 1781672916 GERHTPWGUHBDLT-SHQCIBLASA-N 485.068 5.044 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)ncc4Cl)CCC3)cc2)C1 1785806782 FWSCFEMZXIZZEP-UHFFFAOYSA-N 474.786 5.211 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788735079 LTDHLFFXSRLRJX-HXUWFJFHSA-N 455.558 5.087 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5cccnc45)cc3)CCC2)ccc1F 1788913522 NCDIGCAJTJUPMP-UHFFFAOYSA-N 478.527 5.236 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCC2)cc1 1789625709 QTIKVGPKRWKMOX-JKHIJQBDSA-N 495.664 5.226 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cs1 1790764015 KZQWBRAUIHXWPO-UHFFFAOYSA-N 450.951 5.038 30 20 JKED C#CC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)CCC2)cc1 1791212097 ZLWLHGYSEPQJLO-JOCHJYFZSA-N 496.007 5.063 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1791299791 GJOQQRZQAIVQCI-XWGVYQGASA-N 479.571 5.710 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)CCC2)cc1 1791588833 ZYIORDYUXGFEFO-DEOSSOPVSA-N 477.605 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4OCCc5ccccc54)CCC3)cc2)c1 1792123133 JZDFZEQBZOONDL-RBTNQOKQSA-N 493.607 5.765 30 20 JKED COC(=O)[C@@H]1CCC[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)C1 1792126597 GOPGWLHHYTWPKL-UEVCKROQSA-N 487.600 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3cccc(C(F)(F)F)c3)[nH]n1)C2 1792571352 RNALOBNPBCMVNJ-ACDBMABISA-N 488.554 5.340 30 20 JKED CC[C@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)nc1C(F)(F)F)c1ccccc1 1796458596 LOEKPNNSHXCOCS-QRDGOAKLSA-N 498.549 5.054 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1 1796504971 PKWGZTZIHLYUDJ-NUNAXRQHSA-N 497.561 5.788 30 20 JKED O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800502938 CGICGPCABMHDLA-IKEGPZBQSA-N 466.625 5.165 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([C@@H](C)C(F)(F)F)cc1 1801457803 NJUXBMGDMQHCBS-LDBVRRDLSA-N 462.556 5.302 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@@H]2c2cccnc2)C1 1802406533 DFRRTQXMMVGHGO-NBGIEHNGSA-N 475.976 5.281 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1803559675 CMJIWVWXODWQPB-BHBYDHKZSA-N 491.676 5.046 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1 1805855102 KGMJAXDVOBYZMG-IBGZPJMESA-N 482.049 5.237 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1807963564 VGFCCRFQVYFRLW-XUZZJYLKSA-N 493.705 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1809212729 YGOCMTMDYBVVNI-CPJSRVTESA-N 491.035 5.595 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)c1 1809755573 AFKHVPCBNWEYOH-UZUQRXQVSA-N 490.585 5.002 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1810277112 MJNMNFLRGHDKIY-VGOKHGGXSA-N 479.741 5.109 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4cccc5c4OC(C)(C)CC5)C3)CC2)c1 1810717792 TWGWWKZESWZAKZ-UHFFFAOYSA-N 485.628 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(F)c2Cl)[C@@H]1c1cccnc1 1811111891 HDEFWIDWQSEOIG-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3[nH]c4ccoc4c3-c3ccccc3)[C@H]2c2cccnc2)C1 1811278104 UKUOAEBRWOZJDQ-HFZDXXHNSA-N 480.568 5.109 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811749557 YTGNIUNWPHJSAZ-YADARESESA-N 493.394 5.202 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)c1Cl 1811799560 AKEIDORLQBJLJR-GBXCKJPGSA-N 493.394 5.202 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCC(F)(F)C2)n[nH]1)c1ccccc1 1814388219 BWEREURINSGPTF-ONTIZHBOSA-N 468.548 5.034 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2OCCc3ccccc32)n[nH]1 1815127105 ZAINIEKVFKYJPP-DHIUTWEWSA-N 464.610 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(Cn3ccnc3)cc2)n[nH]1 1815798440 JOQFAAUEDQAZIM-XOPPCCJWSA-N 498.631 5.128 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)cc1 1816824811 ZOUUKBMGNMUIQL-HHHXNRCGSA-N 491.595 5.302 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccccc3Cl)n[nH]2)c(Cl)c1 1816903751 KLEZIIFPBQLBQD-NRFANRHFSA-N 482.371 5.137 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CSc3ccccc3)n[nH]2)c1 1816952992 GFRNFOMDKQBGDH-FDDCHVKYSA-N 473.602 5.135 30 20 JKED CC1=CC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CC1 1818807561 FOLOHGYEKOBMTB-IIBYNOLFSA-N 496.409 5.096 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818868076 MUCNRYNIFRJDMR-DNVFCKCGSA-N 491.954 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1819307338 FVCURHIWKHKPAI-XMSQKQJNSA-N 487.629 5.951 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821280616 WFLXATCRIWOFJL-IBGZPJMESA-N 498.370 5.216 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821856912 MQHRYFUUBQNDJV-FRGLQRNOSA-N 488.032 5.296 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cccc(Br)c3n2)[nH]n1 1821925187 NJUBYRLBZVEBAC-YWZLYKJASA-N 496.409 5.239 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(OC)cc2F)n[nH]1 1822250343 YWFFKZIUTBFSEF-KHMHUBCMSA-N 466.557 5.031 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1822393315 RTOVEHOWDYOKSS-QHCPKHFHSA-N 456.546 5.311 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1822393416 YBPSWWLZCOHZHF-GOSISDBHSA-N 466.891 5.191 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cn3ccc4c(F)cccc43)[nH]n2)c1 1823210845 IZYYVPHOENGIQD-BVZFJXPGSA-N 498.562 5.137 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)cc1 1823683254 MQAQHEJYBGHDTK-SANMLTNESA-N 469.585 5.171 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 1823684108 MOTMAEAPPUCWQH-AREMUKBSSA-N 478.036 5.007 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)ccc3c2OCO3)CC1 1823752055 KBIHOPFHYIYKAF-FQEVSTJZSA-N 475.029 5.294 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CC=CCC3)CC2)cc(C(F)(F)F)c1 1824105214 JAJYUVFXMRYDGD-NFBKMPQASA-N 473.539 5.167 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)c1 1824235292 GQPDHQXRMZHERH-SWYRRKHMSA-N 495.545 5.013 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2F)CC1)c1ccc(O)cc1 1824730036 YEHVIVRHYBJYFH-URXFXBBRSA-N 482.621 5.023 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(Br)cc2C)CC1 1826188427 ISMCAYUPNGXSTM-FCHUYYIVSA-N 488.470 5.154 30 20 JKED Cc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1826492984 PCBRIKDSRDBZNH-RUZDIDTESA-N 497.561 5.362 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1826691050 KSUDNWDCNJNIQP-QHCPKHFHSA-N 482.422 5.139 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734404 DFBDLYDXOSVFNJ-DHLKQENFSA-N 499.051 5.406 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1827806732 VBGMPHIFLADQLC-JOCHJYFZSA-N 489.563 5.494 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828527235 ZLKSHAAQWOHFSI-AREMUKBSSA-N 477.649 5.475 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828677448 NJCOBNDJCGXGTM-JOCHJYFZSA-N 453.652 5.522 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1828778137 OJOJBCJSMYCWAR-VGSWGCGISA-N 485.650 5.173 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)cc2Cl)CC1 1828829953 OHBIWQPMGMMMMX-XUZZJYLKSA-N 459.030 5.350 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](C#CC)c2ccc(O)cc2)CC1 1828831611 WFUWGOXIELJSEF-BIYCFNCWSA-N 476.661 5.277 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)C1 1829621712 URIKTEPXRSNXBN-HHHXNRCGSA-N 481.640 5.806 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)CC1 1830291380 IMPPFRPEADUNAT-IGKIAQTJSA-N 477.624 5.305 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1830590495 JFPRBLBJNXZAOU-GDLZYMKVSA-N 498.671 5.290 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCc3cccc(OC)c3C2)CC1 1831299399 HWIRVMXGGQLVOM-RGSZASNESA-N 478.677 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1831371745 KRPGDPLHOMOTBJ-UQBPGWFLSA-N 451.586 5.266 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3F)CC2)c1 1831570008 QTBFVNRMWSMAQX-AFMDSPMNSA-N 479.571 5.068 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1832029567 HXHZEHNNEUKFEF-NDEPHWFRSA-N 495.667 6.033 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1Cl 1832602622 ZEIYNBQCZHUSDT-ZJVMWOEPSA-N 485.049 5.382 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4c(c3)CCCO4)CC2)c1 1832631724 HHIFLURWRZGYFB-DFHRPNOPSA-N 499.655 5.115 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c(Cl)cc2C)CC1 1832826852 DXJJRGZDRDKEFF-NRFANRHFSA-N 479.846 5.058 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)c1 1846896531 DCJJUSSOKIECGV-HNNXBMFYSA-N 475.898 5.117 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2ccccc2c(Cl)c1OC 1847263884 DQNBFBYAIDURFW-SFTDATJTSA-N 454.998 5.310 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccccc2CC)c1C 10168270 WYMUBDWJFDLRSH-UHFFFAOYSA-O 478.638 5.326 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1ccc(Cl)s1 10171007 BLHVELBPZXQYGU-UHFFFAOYSA-O 482.006 6.238 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 10827287 VQKLXPKIHHZFEB-UHFFFAOYSA-O 462.038 6.046 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Br)c2)c1 11084975 MQEGXAIUEXSUBE-UHFFFAOYSA-O 462.339 5.374 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(CO)c2)cc1 11128967 MRRDZQLDOZCUDA-UHFFFAOYSA-O 473.540 5.660 30 20 JKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(Cc2ccccc2)cc1 11168518 MDEHKCGWVUIGKV-UHFFFAOYSA-O 477.653 6.413 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1ccc(OC)cc1 11452454 XJGTVLXCFBURGE-UHFFFAOYSA-N 482.009 5.141 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1nc(-c2ccccc2)cs1 14723959 DXFBAVDBSDYGLC-UHFFFAOYSA-N 489.622 5.468 30 20 JKED Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)S1 18063438 SDCKQQSPRGNXTC-PXLXIMEGSA-N 451.555 5.443 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 20039196 YUQTUWQTDIEXDG-HUUCEWRRSA-N 464.616 5.672 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccoc1C 21465208 ZOQRBXCQMASPNO-CYBMUJFWSA-N 487.557 5.554 30 20 JKED CC(C)c1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cs2)cc1 22390446 OSKHIAQYGYEIDF-OAHLLOKOSA-N 479.627 5.468 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NCc2ccc(OC)cc2)cc1 22692614 RNHWGOKRPPNNOX-UHFFFAOYSA-O 474.433 5.581 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccc(OC)cc1 23554290 GXWSWVMHIBJXNG-AWEZNQCLSA-N 458.381 5.266 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccc(F)cc1 24014987 KYYAFGDSFMGTES-CQSZACIVSA-N 462.953 5.202 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(C)c(C)c2)c1 28778604 ZMCHWDYXFRTZJS-UHFFFAOYSA-O 454.413 5.713 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(C3CC3)n2Cc2ccccc2)sc2c1CCCC2 45699277 DFAPSDCHYLXCIF-UHFFFAOYSA-N 463.632 5.137 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1 195682995 XUPRSKWCJLDEEY-UHFFFAOYSA-N 469.610 6.165 30 20 JKED CN(CC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(C#N)cc1 410037410 GZLTZPPRBLKBFA-UHFFFAOYSA-N 481.577 5.151 30 20 JKED CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 410412893 FXQDUTSRXRUCSN-HXUWFJFHSA-N 470.331 5.385 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1 484276070 BHIWPZHIOKCNOH-RUZDIDTESA-N 468.619 5.156 30 20 JKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1NS(=O)(=O)c1ccccc1 484650645 GIXGJVGPZWPNCZ-UHFFFAOYSA-N 483.549 5.712 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2Cl)cc1 491053741 UVMINDQNIDRSQL-GOSISDBHSA-N 492.938 6.026 30 20 JKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c2)C1 499177168 QJRDDHATCRGAIB-CVDCTZTESA-N 454.592 5.112 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(C)c3C)n2Cc2ccco2)c1 501391272 WQMRWQIYRNBTAM-UHFFFAOYSA-N 485.613 5.551 30 20 JKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2)C1 502638500 WFGRVTFWYKFZNE-FNZWTVRRSA-N 474.605 5.536 30 20 JKED Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510232027 QZAPFHVMCIPKRS-HXUWFJFHSA-N 495.630 5.215 30 20 JKED COc1cc(OC)cc([C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2nccn2C)c1 510506570 SDAOQYNJJDDBQO-VWLOTQADSA-N 483.528 5.012 30 20 JKED C[C@@H](COc1ccc(F)cc1F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 510620476 VKJCBMQFCUPGHW-KRWDZBQOSA-N 451.473 5.199 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 514568015 WOAJXGYVGMLBSD-UHFFFAOYSA-N 476.536 6.342 30 20 JKED C[C@@H]1CN(C(=O)c2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 517769327 GWDIHDCDBKMXIO-NHCUHLMSSA-N 499.636 5.030 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)nc2ccccc21 518175771 HBZCWKJMEFCBAS-LJQANCHMSA-N 473.330 5.078 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 520358936 XGAOMLQEUNUCDG-UHFFFAOYSA-N 493.588 6.120 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 524387648 OWLTTWMVDFKOAY-UHFFFAOYSA-N 472.932 5.720 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 553282226 VEINSWICBNYMLF-WZONZLPQSA-N 474.586 5.611 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C[C@@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)cn2)c1 603622154 MITJZTJAHKEDJA-RUZDIDTESA-N 493.523 5.276 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603623363 UHCYTYDFHMHGPI-UHFFFAOYSA-N 465.296 6.268 30 20 JKED COc1ccc(-c2noc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1 603759190 XGMFNRAFUBVQNN-QFIPXVFZSA-N 472.932 5.625 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OCc1ccncc1 603828971 HONIMZKIAHGDMR-LJQANCHMSA-N 495.539 5.611 30 20 JKED COc1ccccc1C(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089608 HVJHFTSGMZVGBO-UHFFFAOYSA-N 490.947 5.002 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 604499883 WRPASHXPWAUNJR-UHFFFAOYSA-N 494.389 5.580 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609111302 FOJPPMBFDQZLGS-NIYFSFCBSA-N 485.559 5.214 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 613407028 DHCCCKKCMNKTMA-OAHLLOKOSA-N 469.950 6.201 30 20 JKED C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)nnc1-c1ccccc1F 613907170 AXHDGEUYWFJBHY-UHFFFAOYSA-N 483.569 5.187 30 20 JKED O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539159 VSZGXGHUFLSOPG-TXEJJXNPSA-N 455.399 5.468 30 20 JKED N#CCCn1cc(C(=O)CSc2nc(O)c3cnn(-c4cccc(Cl)c4)c3n2)c2ccccc21 645088412 QFRXWUVHKINNNH-UHFFFAOYSA-N 488.960 5.018 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 684255297 SHICZIXDKMOGJB-NRFANRHFSA-N 475.662 5.279 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 726403107 YLKPEYXGAHNWQW-JPYJTQIMSA-N 461.587 5.225 30 20 JKED N#Cc1ccc(NC(=S)N(Cc2cccs2)c2ccc(Br)cc2)cc1Cl 726468931 IFZPMQILTDSJOC-UHFFFAOYSA-N 462.825 6.439 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 726754423 HCXJFWSBLRDRPF-UHFFFAOYSA-N 474.973 5.711 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3nc(-c4ccc(C)cc4)sc3C2=O)cs1 727653967 DEJIGLBUPWPLMO-XSFVSMFZSA-N 485.634 6.781 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccccc1Oc1ccccc1 727953861 PXGAZXYOZBRINM-PASUOXSHSA-N 466.537 6.161 30 20 JKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 728108765 IYTJUQYILPRATR-MHZLTWQESA-N 496.519 5.584 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C4SCCCS4)cc3)cc2F)c1 728184994 CTQXMJIYAGQJKH-UHFFFAOYSA-N 464.587 6.397 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 728248064 DOPRPZGSILWNEH-UHFFFAOYSA-N 476.536 5.237 30 20 JKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)N1CCOC1=O)c1nc2cc(C(F)(F)F)ccc2s1 728411746 KTWIEURPHMQKAT-DOTOQJQBSA-N 459.449 5.075 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cs2)cc1 728669434 QAHNHNWBEYYYLJ-UHFFFAOYSA-N 497.576 6.411 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)cc1C 728776154 KQEWFIGGZVMYLI-NRFANRHFSA-N 452.555 5.097 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(NC(C)=O)c1 729634998 YZUABYPDQCKWMJ-QFIPXVFZSA-N 466.607 5.042 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c3c2CCC3)cc1 730921031 UDZSUKOUCZLBOV-HXUWFJFHSA-N 480.540 5.199 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 730945018 KJMJCBMWPOZTTF-QKKBWIMNSA-N 484.503 5.220 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1F 730945574 URWKXWKORFEGMB-QKKBWIMNSA-N 484.503 5.220 30 20 JKED C[C@H](NC(=O)c1ccccc1NC(=O)CNc1ccccc1SC[C@H](C)C#N)c1ccccc1 731029162 XRQQXHNFUNXEHR-UXHICEINSA-N 472.614 5.480 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 731077794 KKDXDQCRCWTWIB-IBGZPJMESA-N 487.581 5.010 30 20 JKED CC(C)Oc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)c1 731306051 JWOHPGXDXNSWHJ-DEOSSOPVSA-N 489.597 5.340 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccsc1)c1cccs1 731313359 YNRLOXDQOJCLOP-RCDCTDEFSA-N 471.629 5.105 30 20 JKED Cc1cccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)c1 749098643 DHDYSCRODWOGDU-DEOSSOPVSA-N 486.572 5.209 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N(CC)C(C)C)cc2)nnc1-c1ccc(F)cc1 801235612 ZMJWYRFJYAASJW-UHFFFAOYSA-N 453.587 5.236 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1ccccn1 837301895 PGAGDXGRWFYXPB-OPAMFIHVSA-N 480.540 5.390 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2cccs2)C1=O 837638551 BUTWOAKJLDOWCI-QFIPXVFZSA-N 479.627 5.534 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1OC 838485901 KCMAWJIYDQGNRA-QFIPXVFZSA-N 467.591 5.048 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccccc1 838486422 OBTJAQFZDCFNLD-QHCPKHFHSA-N 477.561 5.037 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2CSC2=NCCS2)c1 913083399 AJAZFSQGZSMPST-LJQANCHMSA-N 481.643 5.132 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3sccc3C)C2=O)cc1OC 914546480 PUFJUWZIMHGZBN-OAQYLSRUSA-N 495.626 5.234 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3cccc(NC(=O)c4ccccc4Cl)c3)cc2c1C 914773326 FSNFRJCWFQPGKW-ZHACJKMWSA-N 490.968 6.193 30 20 JKED N#C[C@@H](C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102817 ICZGMQGUWCHRQJ-YOEHRIQHSA-N 470.381 5.884 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 916206591 PPQMBVLHUPSGSX-JOCHJYFZSA-N 471.598 5.336 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2ccco2)c1 916207240 DIHXCABFXLUVGK-HXUWFJFHSA-N 487.503 5.767 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C[C@@H]2CCCO2)c1 916208129 UMBUHLKXDFUJFW-PXNSSMCTSA-N 491.535 5.153 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@H]2CCCO2)c1 916210116 ARIVOYKRCNZGKO-GGAORHGYSA-N 465.619 5.060 30 20 JKED COc1ccc(-c2ccc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)o2)c([N+](=O)[O-])c1 916283841 WOPCWQZLILBPCE-UHFFFAOYSA-N 486.509 5.492 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)c1 916897250 LJUMLVHYOBWILQ-HSZRJFAPSA-N 457.480 5.702 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1sc2cccc(Cl)c2c1Cl 916932456 VWIHIVJMBRMFAA-VIFPVBQESA-N 458.153 6.476 30 20 JKED COc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 916997068 PTWKCQGMOIJFEE-QTONRWBISA-N 459.354 6.024 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045639 ZETBXWLCFGHDOO-DZGCQCFKSA-N 477.895 5.193 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 917047042 PEBSYMGSUKCXNM-QGZVFWFLSA-N 488.396 5.340 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)cc1 917119650 RCOQZNMBYCPXQT-QHCPKHFHSA-N 473.579 5.457 30 20 JKED C[C@@H](N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1cccc(O)c1)c1ccccc1 917609119 GEEFRHAYESHPJR-GOSISDBHSA-O 476.622 5.038 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C\c2cccc(NC(=O)c3ccccc3Cl)c2)SC1=S 917644981 PRAYGOQKJQGRNO-FYJGNVAPSA-N 475.982 5.870 30 20 JKED COc1ccc(N(C(C)=O)c2nc(/C=C3/SC(=S)N(c4ccccc4C#N)C3=O)cs2)cc1 917645040 RUFTUQCWTPAJTH-RGVLZGJSSA-N 492.607 5.114 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2csc3ccccc23)C1=O 917657265 ZBKAZADOQTZMQC-GOSISDBHSA-N 477.533 5.188 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 917664614 RELZZGILHFZOBS-QGZVFWFLSA-N 484.380 5.129 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C2CCN(CC3CC3)CC2)C1=O)Nc1ccccc1 917680595 JDUXRHMZFMQIMQ-HSZRJFAPSA-N 497.064 5.175 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 917696092 HIMVZVGGNYVJOO-OAQYLSRUSA-N 496.495 5.034 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2OC)ccc1Cl 917776808 HWMDXJSILTVJNA-UHFFFAOYSA-N 488.968 5.146 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cc2Cl)cc1 917876795 RBLLBPXWRWXYBC-UHFFFAOYSA-N 492.940 5.823 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2OC)on1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 918144891 ACILAMITZWNUGP-UHFFFAOYSA-N 462.487 5.215 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cccc(C)c2NC(=O)c2ccoc2C)ccc1Cl 919638070 SEJAEYHVUGNOHG-UHFFFAOYSA-N 493.947 5.214 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccccn1 920110258 NKHZOYUNMKIINI-CZUORRHYSA-N 498.326 5.431 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 920113018 OJUZPYKRBJFSON-WBMJQRKESA-N 488.421 6.756 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)n2)cc1 920145015 YVKMOWRXDOXFKM-GOSISDBHSA-N 462.506 5.125 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)SC2=Nc2ccccc2F)no1 920353218 DOFKVVSYAPWJEJ-LJQANCHMSA-N 490.919 5.075 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 920353890 VYGSRMQDUBJCRQ-NRFANRHFSA-N 482.993 5.414 30 20 JKED Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)Nc1ccc(Cl)cc1 920484057 DJWDXNWAYLEDNM-UHFFFAOYSA-O 497.040 5.761 30 20 JKED CSc1cccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)c1 920805345 CFXJFNGXVGSSCK-BBRMVZONSA-N 469.538 5.040 30 20 JKED N#Cc1cccc(SCc2nc(O)c3cc(Br)cc(Br)c3n2)c1 1307309423 OEHKDHJFDQBUEY-UHFFFAOYSA-N 451.143 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2ccc(F)cc2)C1 1780189374 LLNBWWFLEWLUPO-FUFSCUOVSA-N 493.623 5.008 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)c(Cl)c1OC 1785957010 MKNCWOVILSAJRB-UHFFFAOYSA-N 489.959 5.290 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1 1786376086 JYKATCTYLCGFNG-LNLFQRSKSA-N 452.517 5.080 30 20 JKED O=C(Cc1ccc(F)cc1C(F)(F)F)Nc1ccc(C2(NC(=O)CC(F)(F)F)CCC2)cc1 1786607247 SZULUFTWGMDNMY-UHFFFAOYSA-N 476.392 5.474 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(OC)cc3)cc2)CCC1 1788377900 DZAXBLJTRCETEB-UHFFFAOYSA-N 487.625 5.424 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(OC)nc34)CCC2)cc1 1789456238 NDBOWAQISDEEEP-HXUWFJFHSA-N 458.562 5.088 30 20 JKED Cn1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c2cccnc21 1789508163 RRBGTHPHKVLNCI-UHFFFAOYSA-N 486.692 5.372 30 20 JKED Cc1nc2cc(C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)ccc2s1 1789577805 JTQGRRXOQSNHSB-JFLMPSFJSA-N 472.570 5.065 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cc4ncsc4[nH]3)cc2)CCC1)c1ccc(O)cc1 1789669929 RSURUZMYGODLRF-LJQANCHMSA-N 498.608 5.275 30 20 JKED CSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1789924275 RZBNVUQCIOTAGT-UHFFFAOYSA-N 470.598 5.056 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CCC2)cc1 1790511591 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C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c(Cl)cc1F)C2 1793052667 IXDPLHKWSIBGQL-MUJYYYPQSA-N 483.809 5.262 30 20 JKED Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C(F)(F)F)c2F)C3)c(C(F)(F)F)o1 1795141087 RQCOPYIUUWJXNF-CLLJXQQHSA-N 492.391 5.330 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1Cl)C2 1796472017 HTUGRFGGAFERTE-WKCHPHFGSA-N 484.987 5.148 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2[nH]c3ccoc3c2-c2ccccc2)c1 1799117540 UDVNEBLLCHIZBV-NUNAXRQHSA-N 478.552 5.174 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799147814 RMAIJCNRHDCOMD-OIMFZILRSA-N 467.660 5.103 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(F)c(Cl)c2)C3)c(Cl)c1 1800691680 QFSGZIGBSSOHPD-QDMKHBRRSA-N 480.754 5.223 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Br)ccc1Cl 1801592952 OZEVURIIUOAVSY-REPLKXPHSA-N 481.862 5.276 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Br)cc3)CCCC1)C2 1801695081 CYEHORCKTVLVJM-ACDBMABISA-N 495.408 5.111 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2F)[C@H]1c1cccnc1 1802491115 GCIKSOSSGXHREA-WYTIYTFZSA-N 467.560 5.071 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CC2)C1 1806025015 FDMIXLQVIAQHLD-QFIPXVFZSA-N 487.644 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3cc(F)ccc3Br)C2)CC1 1806569998 OTZVPJYVPVZDCB-UHFFFAOYSA-N 493.461 5.354 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1810183183 SXXCADIVMQAYMI-PLXFJCCSSA-N 473.642 5.693 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)[C@H]1c1cccnc1 1810490226 SGHYTEUQUCBXCR-UTKZUKDTSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1810500612 AGQLYFIWPKESRG-VGOFRKELSA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810944741 YAIXABGROMXKLV-NZQKXSOJSA-N 489.513 5.328 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1811058165 MCQKASMNUKKLRQ-ISKFKSNPSA-N 488.657 5.517 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811419609 IFUKPOQBPHUVAQ-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811873791 RSLQIZCVXZBZNZ-HUVFLSCGSA-N 496.533 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1812235809 YOQWVTNTNJZJHK-FHAGJXEFSA-N 477.008 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[C@@H]1c1cccnc1 1812428573 OSRZSUYCRCVDHC-PZUNEJSGSA-N 497.083 5.036 30 20 JKED CO[C@](C)(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](S)C(C)C)[nH]n1)c1cccc2ccccc12 1814406527 FTDCOBALAWIXBQ-LLGBQNBKSA-N 494.661 5.071 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3c(F)cccc3Cl)n[nH]2)c1 1814673111 YUUQZERAISETFI-HJPURHCSSA-N 493.970 5.378 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCCC2(F)F)n[nH]1)c1ccc(O)cc1 1815353128 OOHVCYAXDULOBY-UNWVZKJWSA-N 498.574 5.130 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)n[nH]2)C1 1816178517 HIFMTSYEWOSLCL-NRFANRHFSA-N 498.509 5.091 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nccc3occc23)n[nH]1)c1ccccc1 1817716141 SLDHGJKWVSBMNQ-OFNKIYASSA-N 481.556 5.054 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)[nH]n1 1819308162 XDKUJAXAOSDGLQ-OFVILXPXSA-N 469.589 5.546 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4scnc4c3)[nH]n2)c1Cl 1820218809 DGADWKMZVLMHCH-IBGZPJMESA-N 490.976 5.164 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)[nH]n2)c1 1821324586 ANVDYJJQIONENQ-GPXNEJASSA-N 487.991 5.353 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)n[nH]2)CCC1 1821364680 PIQBNINAEAVCTA-HSZRJFAPSA-N 489.526 5.355 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1821923019 RWHOXCQIKKMFTR-NQIIRXRSSA-N 471.561 5.465 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1821986542 HWSSEICYJWZJCC-GOSISDBHSA-N 488.922 5.840 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1 1822283100 SWLSVFDYJFESLA-KNQAVFIVSA-N 454.640 5.246 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1822393557 ZOLUCSZDMZNUKF-XMMPIXPASA-N 458.537 5.325 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212513 VEIOTOJZMDMENR-IMWIBFENSA-N 487.629 5.523 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)[nH]n2)c1 1823218297 QOOJVCDAFDVZKH-DVECYGJZSA-N 475.637 5.949 30 20 JKED COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1Cl 1823242955 LZZWNENDZXQIRM-FQEVSTJZSA-N 498.370 5.216 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4F)CC3)n[nH]2)c1Cl 1823446990 JQMBWKDIPLTUND-OAQYLSRUSA-N 491.954 5.112 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3N=C(C)CC3=O)cc2)CC1 1823753860 KOANUHKPUHISPU-VWLOTQADSA-N 492.664 5.025 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)CC2)c1 1823999056 GLLPOTNXMGKJAZ-NDEPHWFRSA-N 499.655 5.312 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1826692653 YQIVTITUNJWXDD-VWLOTQADSA-N 494.035 5.456 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1828608212 GNUYKKWOJUWRAO-HRAATJIYSA-N 476.543 5.027 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2coc([Si](C)(C)C)c2)CC1 1829069034 GUAUUZVJCYLPAL-QFIPXVFZSA-N 458.719 5.051 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1830108889 UUINLWHCQFZACT-AREMUKBSSA-N 482.741 5.370 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC=C(C)C)CC1)c1ccc(O)cc1 1830258896 LLOWQJRVASFHNY-VPUSJEBWSA-N 464.650 5.255 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)cc1 1830632707 WRTYCVSOEPNMNO-QHCPKHFHSA-N 467.972 5.092 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(F)c(OC)c2F)CC1 1830712685 LDDIYUAJBDQCAV-HXUWFJFHSA-N 492.607 5.208 30 20 JKED Cc1nc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)ccc2s1 1830718361 FHSOSUDFLRFZJA-XMMPIXPASA-N 490.604 5.163 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1830769928 DJWPUHVQEBGUNH-LJAQVGFWSA-N 492.623 5.476 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830878245 IPKINDBDWVNJMM-MHECFPHRSA-N 454.014 5.334 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)[nH]c2ccc(Br)cc12 1831059895 LKORHPAYXOTHGN-NRFANRHFSA-N 499.453 5.022 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c(F)c1F 1832611869 MNOMHWMFPMWEQF-DEOSSOPVSA-N 479.571 5.011 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4n3C)CC2)c1 1832631375 DFVMDMQEODFOHG-IDISGSTGSA-N 482.628 5.352 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1832633613 LSPWSDAVYSMWBH-KDYSTLNUSA-N 496.611 5.516 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 1832633802 NRDQCKAFFANAJR-CLOONOSVSA-N 464.009 5.514 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1 1832701569 MLDTWYKOKPVNAS-MHZLTWQESA-N 487.644 5.130 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705363 UTGLDYJSLBHREN-LJQANCHMSA-N 496.467 5.810 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832708907 XYPNCCACFXVANG-QFIPXVFZSA-N 466.519 5.271 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC=C(C)C)CC1)NC(=O)OC(C)(C)C 1832754035 RGWAPZIRRFEPIC-ZEQRLZLVSA-N 489.701 5.212 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC34CN(C(=O)c3cccc([C@@H](C)C#N)c3)C4)ccc21 1844743254 YDCVMTLTVXBOFV-NRFANRHFSA-N 490.607 5.572 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1 1845451736 YDFOZEVZTBSRLJ-UHFFFAOYSA-N 498.703 5.098 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c1C 10170921 DGHDWEOYFXANPI-UHFFFAOYSA-O 478.638 5.444 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 10172528 JUXFTQRDCHKVGK-UHFFFAOYSA-O 492.089 6.948 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1cccc2ccccc12 11126034 JDBBCQRMEZJTAG-UHFFFAOYSA-O 469.586 5.512 30 20 JKED COc1cc(OC)cc(-c2nnc(S[C@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)c1 11236111 OOOMIRYBZRNUHR-QQHUYRGFSA-N 465.575 5.115 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(Cl)c2C)cc1 11258653 RPXIIMAFUKBAIG-UHFFFAOYSA-O 452.043 6.673 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 11300693 ABGNNKJAPGKJEV-UHFFFAOYSA-N 458.971 5.052 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1ccc(Br)cc1 21742156 DMTRZUAMZOINEZ-CQSZACIVSA-N 476.371 5.308 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccc(F)cc1 22100736 GAHOWXVFIMIJHV-GFCCVEGCSA-N 495.458 5.317 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22731165 LPVGJKWNCXZHCN-UHFFFAOYSA-O 455.550 5.609 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc(OC)cc1 23998305 PNLVIAMLKHQVHW-LPHOPBHVSA-N 454.621 5.046 30 20 JKED CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 26115127 BKDDGIZHGMOBIA-OAHLLOKOSA-N 488.444 5.749 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)NCC#Cc4cccc(C(F)(F)F)c4)cc3)o2)c1 30929443 YTEHWHQANAXOGP-UHFFFAOYSA-N 461.443 5.512 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 31639175 XYOHIJZVEXWRAL-ZDUSSCGKSA-N 475.343 5.066 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102044620 IEVKIYCHBZONOX-SSEQUYIASA-N 499.656 5.140 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)o1 108347365 KKMXENPVTFQMEV-UHFFFAOYSA-N 469.472 5.052 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)cc2)cc1 195704316 SOOLVAGLDBPZDN-UHFFFAOYSA-N 466.394 5.946 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)[C@@H]2c2cccs2)cc1 303340841 YMBAHDLGZWTKHQ-HEKZAOSPSA-N 489.666 6.431 30 20 JKED Cn1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(-c2ccccc2Cl)n1 303414251 VTMGJUKSOVJNKM-UHFFFAOYSA-N 466.979 5.008 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 476141927 HJBBXIFBSMSJFH-JOCHJYFZSA-N 481.017 5.351 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 499992478 ZKUWGOSHGJPTPR-UHFFFAOYSA-N 481.474 5.245 30 20 JKED C=CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502954852 DWZFXZTWSPIGAD-UHFFFAOYSA-N 464.330 5.867 30 20 JKED CCOc1cc(F)ccc1NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503214932 HYYDXQZURRIZMF-UHFFFAOYSA-N 496.770 5.748 30 20 JKED Cc1nc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)sc1SCC#N 504692226 NJHWALZAYBOOGY-UHFFFAOYSA-N 450.408 5.811 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)n2)cc1 506845829 WDQGWXWIIQYCIO-FQEVSTJZSA-N 478.562 5.481 30 20 JKED CC(C)c1ccc(CSc2nnc(SC[C@H](O)COc3ccc(C#N)cc3)s2)cc1 508503090 GSKNRYXHHDIZEN-LJQANCHMSA-N 457.646 5.357 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ncnc4sccc34)CC2)cc1Cl 510027087 RXZDGDZNYBXEPD-NRFANRHFSA-N 489.004 5.354 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 510376336 MZZADLPPPPNNPM-UHFFFAOYSA-N 466.497 5.826 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1 512374247 DVMMPSAOUAUELA-HSZRJFAPSA-N 469.566 5.573 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 513027082 JAGXJLSJVJIOOK-OAHLLOKOSA-N 470.982 5.563 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 513093096 WCGVTLJWTCOVPQ-GOSISDBHSA-N 460.375 5.244 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)o3)c3ccccc3n2)cc1 514319748 CXXVDFSUEYBNAG-SANMLTNESA-N 471.586 5.407 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1cc2ccccc2o1 516722434 NLFHKKLBFMQOOE-WZONZLPQSA-N 485.971 6.290 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 516733183 GIIQDLKPYIQAJX-UHFFFAOYSA-N 462.509 5.086 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCOc3ccccc3Br)c2)cc1 517380461 SSCGYGKDRMKUDK-UHFFFAOYSA-N 465.347 5.502 30 20 JKED Cc1ccc(-c2noc(CN3CCN(C(=O)Nc4cccc(Oc5ccc(C#N)cc5)c4)CC3)n2)cc1 517906198 UUTKMEAEJYHCMU-UHFFFAOYSA-N 494.555 5.059 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2sc3c(c2c1=O)CCC3 518127509 CHDFHCMYZSBXMG-OAHLLOKOSA-N 498.699 5.482 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccccc4S[C@H](C)CC#N)nc(O)c23)C1 518743151 OOPXCWLANZYAME-LSDHHAIUSA-N 466.632 5.487 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 518755869 PSSXQTXYSYFSCB-BEFAXECRSA-N 460.397 5.449 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(COC3CCCCC3)c2)CC1 519094359 FVSYBRMMVYTLBW-UHFFFAOYSA-N 474.561 5.511 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 519432815 AYKLHEVJZQXSKQ-UHFFFAOYSA-N 479.911 6.591 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 519457791 JFVDMMZDEDRFBJ-VWLOTQADSA-N 475.976 5.547 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C(=O)N(CC=C)Cc2cccc(C#N)c2)c1 520141128 CKLKBBUHDALIHH-UHFFFAOYSA-N 474.564 5.087 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1 520195832 NQLFJZKLEGIAIS-LJQANCHMSA-N 458.587 5.963 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 520546715 VXSFUANWEGQHGC-UHFFFAOYSA-N 492.579 5.162 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 520858185 RGXZOEGKIMTOSS-RTBURBONSA-N 458.587 6.073 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 521811080 RJIGKKLVIOZJFU-MRXNPFEDSA-N 478.445 6.258 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 521840085 ZDZFAJVXIAULHZ-UHFFFAOYSA-N 465.550 5.220 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc(-c4ccc(F)cc4)no3)cc2)c1 524390880 IBEIFZAQPGXEIA-UHFFFAOYSA-N 456.477 5.288 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 588713118 OLZFVJQPMQHIOR-HSZRJFAPSA-N 471.523 6.279 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)cn2)c1 603622871 JWFOPEBTOTYRKP-GOSISDBHSA-N 495.366 5.543 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1Cl 603673347 HQZYSDVTLZSINB-FQEVSTJZSA-N 464.352 6.028 30 20 JKED CSc1cccc(N2C[C@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2=O)c1 604004099 VBJIVCDBFAZFPO-OAQYLSRUSA-N 471.582 5.045 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604133474 MDDNJYGANSOPES-UHFFFAOYSA-N 499.958 5.061 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c(C#N)c1C 604231164 BTSBZIUGZJUPEY-UHFFFAOYSA-N 481.599 5.380 30 20 JKED N#C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(OCc2ccccc2)cc1 609028878 YWWPKINQBQXTRS-XMMPIXPASA-N 467.550 5.574 30 20 JKED COc1ccccc1[C@H]1CCCN1C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609054178 WXUIFJJCAJVYKB-ISKFKSNPSA-N 473.960 5.306 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609110448 KBZPLNLUIOPYRZ-UHFFFAOYSA-N 487.560 5.150 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C 609192272 KFHSNRRIMWDKTL-JLCFBVMHSA-N 475.408 5.088 30 20 JKED CSCC[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nnc2ccccn12 609209166 TVMMMKWFKYYRMT-OAQYLSRUSA-N 458.547 5.009 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)c1C 609370940 KVDKQOYHSSCHTR-HNNXBMFYSA-N 469.661 6.024 30 20 JKED COc1cc(CN(C)C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OC(F)F 612804508 NQOWKCJZFVJCCG-RYUDHWBXSA-N 478.380 5.348 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1 613344323 GLBMOAQHIZXPMT-SFHVURJKSA-N 494.359 6.651 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403045 BCMCXIWLXNUNTH-MRXNPFEDSA-N 487.528 6.702 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OCC)c1OCC 613404977 YLBPMDXDFAFWAM-HNNXBMFYSA-N 478.492 6.001 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)c(OC)c1 614888620 HCQJLMMNVNOXLP-QGZVFWFLSA-N 456.970 5.109 30 20 JKED C=CCn1c(SCCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccccc1F 644448868 VYYHTXVTOTUIPF-HSZRJFAPSA-N 478.618 5.720 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nc2sccc2c1=O 645080277 XBFTUSHKFHMOBW-INIZCTEOSA-N 453.589 5.067 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CC[C@H](C)OC 726394597 WCIVFOMGJDGGCN-BTYIYWSLSA-N 490.025 5.042 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCOC2CCCC2)cc1F 726409601 BVKBYROLEAHCEZ-HSZRJFAPSA-N 499.608 5.144 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CCC)C1=O 726418772 AZKOMEAOGNWMKB-JEWPTACZSA-N 459.637 5.337 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/[C@@H](C)c1cccs1 726421186 LVAJXHKFUVLPAZ-RMPKJARYSA-N 473.664 5.181 30 20 JKED CC(C)Oc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)cc1 726570519 CTOWNMGLEYSDEE-UHFFFAOYSA-O 466.970 5.315 30 20 JKED CC(C)Oc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(CO)c2)cc1 726570590 GZNSDMZJXPJSHQ-UHFFFAOYSA-O 480.997 5.102 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC2CCC2)cn1 726891171 NJCFKFZWSWKOAK-QGZVFWFLSA-N 493.416 5.157 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cs1 727267095 NODIMXZSKKFHPU-YFHOEESVSA-N 480.502 5.465 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)ccc1S(=O)(=O)C(F)F 727267115 NSPNOASMCODGNC-ZZXKWVIFSA-N 454.800 5.260 30 20 JKED N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 727952797 QLGRCUALAXKQFA-GHYICZDASA-N 459.571 5.487 30 20 JKED CC(C)[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccccc1C(F)(F)F 728108501 AEULOSRQDHNEIM-JOCHJYFZSA-N 486.446 5.569 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)cc1 728780345 RCCFIWZTSJVPMP-OAQYLSRUSA-N 486.544 5.018 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(F)cc2)c(F)c1 729818752 GKKSNONVYCQGIZ-JOCHJYFZSA-N 494.498 5.136 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)c1 730445216 VDEHOKFOMXTWSK-HSZRJFAPSA-N 476.602 5.111 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C2CCC2)C1=O 730458955 DCNXZLHYOHUWOS-JOCHJYFZSA-N 451.592 5.297 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cocn3)C2=O)cc1 730721022 YECFFTNRZUJFOS-OAQYLSRUSA-N 498.992 5.277 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 730953466 HEDUEMRHZLJEEY-TZIWHRDSSA-N 492.670 5.712 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)cc1 731060789 QEZMHEDVXCWWME-INIZCTEOSA-N 462.527 5.196 30 20 JKED N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1 731287465 CJIWOGZECXMTAX-INIZCTEOSA-N 467.722 5.138 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731312752 OSTHRKNCMXPSBH-DEOSSOPVSA-N 491.613 5.322 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCc2ccccc2F)C1=O)Nc1cccc(O)c1 731313499 YHCZVNIZHPSEJY-JOCHJYFZSA-N 499.514 5.013 30 20 JKED C#CCN1CCC(C(=O)N(Cc2ccc(Oc3ccc(Br)cc3)cc2)C2CC2)CC1 731333680 MOPITXKWXOCORI-UHFFFAOYSA-N 467.407 5.078 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)COC3)cc1 746025709 LSBRVYVTEYSPDX-UHFFFAOYSA-O 470.618 6.103 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3cccc(F)c3)s2)ccc1S(=O)(=O)C(F)F 750909801 NUOHCCPMECJIQJ-VURMDHGXSA-N 452.475 5.455 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(Cl)cc1 761725654 KDEPRWPQXQBANT-OAHLLOKOSA-N 481.965 5.231 30 20 JKED CCc1nc2ccccc2n1N=Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 767373675 MPBQKWLBKFQULM-UHFFFAOYSA-N 480.927 5.300 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2cc(Cl)ccc2c1=O 777515769 MFIYEHVNXSMZOS-UHFFFAOYSA-N 492.025 6.158 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 837301287 SXMPWVCSRYYQNK-AOMKIAJQSA-N 483.540 5.539 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccccc2F)C1=O 837382481 XLAFMDFKWSQURI-HSZRJFAPSA-N 477.561 5.303 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccccc1F 838485229 FMEWVPJEPRGVAV-QHCPKHFHSA-N 495.551 5.176 30 20 JKED COc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(C)cc3C)=C2C)cc1 839944927 GILHXSBHFHVCSV-AREMUKBSSA-N 482.609 5.532 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913119125 JKPNMUHRELGSMB-IBGZPJMESA-N 493.416 5.322 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC2CCC2)c1 915111107 IYFLKHIXTRYLGX-QFIPXVFZSA-N 499.036 5.367 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cnc(-c3ccccc3)s2)n(C2CCCCC2)c1C 915549305 HJGIJHOPCSHQLI-UHFFFAOYSA-N 462.575 5.401 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1C 916207759 KOIKLSJQNJIRQZ-SFHVURJKSA-N 480.417 5.217 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1Cl 916209549 NCOKPMQCELVAOJ-INIZCTEOSA-N 486.808 5.254 30 20 JKED CCOc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1OC 916273033 PFWLBLZKFHPOIZ-UHFFFAOYSA-N 453.951 5.376 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1OC 916326257 JFWAMGWTSANXKI-UHFFFAOYSA-N 493.976 5.039 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)o2)cc1 916883736 OEBDBHMDHZAGJR-SFHVURJKSA-N 454.454 5.425 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1Cl 916938364 LGHGYMCOFLUHSH-AWEZNQCLSA-N 488.352 5.277 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)NC(=O)c3cccc(Cl)c3Cl)n2)cc1 916974794 QWOAKXUZBKYZMF-CJNGLKHVSA-N 458.370 5.420 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)cc1 917044352 STTBYFMDACZGPV-CVEARBPZSA-N 465.884 5.412 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)C2)c1 917046321 JCYBADADTHKNRQ-LPHOPBHVSA-N 451.979 5.295 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(C)c1 917660362 CSHHJNZWKDKXOR-HXUWFJFHSA-N 493.551 5.319 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccnc(C)n2)c1 917669063 MVGMQLIQEBNXHV-VWLOTQADSA-N 495.608 5.407 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)cc(C)c1 917674836 ULQJWJVLFBSKNZ-FQEVSTJZSA-N 493.551 5.319 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 918608404 JFZHABCBVYUPFK-LFVJCYFKSA-N 482.414 5.273 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 920138827 KQYVFKBXDNHSRS-GOSISDBHSA-N 464.934 5.331 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 920197959 LFFDXZFLJFCRQX-DNQXCXABSA-N 457.961 5.168 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc3ccccc23)no1 920352857 VLYWRWRWLYYQIB-HSZRJFAPSA-N 470.554 5.297 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)c(F)c2)C1=O)Nc1ccc(F)cc1F 920354692 GPKQWJPVFSEMHA-OAQYLSRUSA-N 487.478 5.404 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cc(C)on3)C2=O)cc1 920355600 OFDROXWEEUGFGU-NRFANRHFSA-N 498.992 5.196 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3-c3ccc(OC(F)F)cc3)cs2)cc1 920367323 ANKNQFRTVXOIBM-UHFFFAOYSA-N 473.530 5.061 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 920805551 DGIKCNWVYPKEMJ-AWEZNQCLSA-N 484.509 5.118 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)cc1 920970799 PQRKZZPLCHBTOP-UHFFFAOYSA-N 467.978 5.034 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CCc1c(C)nc(O)c(C#N)c1C 1126034049 UTXQZQXFMQNNCG-CQSZACIVSA-N 454.983 5.171 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(F)c(Cl)c1)C2 1779512226 QBOKOKJLODGKHB-NTKDMRAZSA-N 485.427 5.252 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1 1786592496 JOGZSYANEJIAMP-LRYGQEGESA-N 452.517 5.080 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)c1 1786620398 OXMNZCMXWXIFQY-UHFFFAOYSA-N 457.496 5.358 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)CCC1 1786713041 GTYXLEVOZAMACZ-FQEVSTJZSA-N 495.570 5.002 30 20 JKED Cc1cncc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1786857708 LOOBLPJEBNILLZ-NRFANRHFSA-N 466.585 5.398 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cc6ccoc6s5)cc4)CCC3)c2c1 1788415772 SQBBSIVFJMJLIB-UHFFFAOYSA-N 481.537 5.304 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5ncccc5c4)CCC3)cc2)cc1 1790285709 PVCZNHQARULHDP-UHFFFAOYSA-N 460.537 5.097 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5c(F)cccc5n4)cc3)CCC2)c1Cl 1790918248 GSXRSVLJDZGQSY-UHFFFAOYSA-N 487.922 5.060 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c(C)n1 1791773105 IHWJENTYFHNTQW-FQEVSTJZSA-N 480.612 5.706 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COC4CCCCC4)CCC3)cc2)c1 1792123323 UMPUQKIQUVGPTR-HXUWFJFHSA-N 459.590 5.411 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)cc3)CCC2)c1 1792154893 ZAFFSZDQKWJPKQ-UHFFFAOYSA-N 461.525 5.010 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCC(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792205954 BRLBLNDMYFFLPH-JOCHJYFZSA-N 471.642 5.416 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@](C)(OC)c3cccc4ccccc34)CCC2)cc1 1792265277 JIPPQJUJEUXTDB-MUUNZHRXSA-N 454.570 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2cccc(C(F)(F)F)c2)[nH]n1 1794715744 JNLRFXAAUUFVQX-PLACYPQZSA-N 486.538 5.116 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1798592265 CBYLFYNJMPHVPD-LSUHJGNXSA-N 497.680 5.768 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccoc2c1)c1ccc(C#Cc2ccccc2)cc1 1800991333 YCOVWAYTNFVOJJ-OUOZDZGXSA-N 474.560 5.398 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1802498423 VPNUNTIHMDOTLI-XUZZJYLKSA-N 487.566 5.341 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c(F)c2)[C@H]1c1cccnc1 1803499672 BAPIPCBDAWBJRV-ZEQKJWHPSA-N 465.613 5.160 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)sc2Cl)C3)c1 1803681003 KGWBCLMDWQWBCG-VDNDLQMASA-N 462.402 5.248 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)Cc3cccc4ncccc34)C2)CC1)c1ccccc1 1805978054 BBQOTJCCEFLNOU-NDEPHWFRSA-N 493.651 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@H]1c1cccnc1 1806998494 ONIRCUQOCIQJDZ-MHCUWBFOSA-N 498.671 5.234 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CC)C2)CC1 1809059606 JGSQTKIUIFBLBN-QFIPXVFZSA-N 479.706 5.272 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1809346726 UBPZZYUIRRVTHV-SQHAQQRYSA-N 487.676 5.199 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809440531 GAMKSSZUWWEACD-QSAZIKIQSA-N 499.036 5.070 30 20 JKED Cc1cccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)[nH]c12 1809746599 CJVQWYDWJQRBDQ-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ncsc23)[C@@H]1c1cccnc1 1809955347 GVGBOVDKVPJKND-UGKGYDQZSA-N 462.619 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810240862 RTLMJMNFIYGNBQ-QJUKJETASA-N 475.658 5.470 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccccc3C)C2)CC1 1810351738 GGAVRHXCMABHPN-DEOSSOPVSA-N 471.645 5.670 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[C@@H]1c1cccnc1 1810470404 ZCMMQMYKMQWIIQ-KGPYPHOUSA-N 487.550 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1 1810495304 MUCQJRXTLRXBBT-NFBKMPQASA-N 450.627 5.019 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc4occ(Cl)c4c3)[C@H]2c2cccnc2)cc1 1811435922 PXHXULMUPLNXRX-ATIYNZHBSA-N 498.970 5.181 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)[C@H]2c2cccnc2)c1 1811793115 NLBQDXRWXRWXIW-MBSDFSHPSA-N 497.357 5.033 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811793519 RYIZPJZIVASVHO-WZONZLPQSA-N 497.357 5.033 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1811998550 QTHSQKSQKJDKQO-YADARESESA-N 472.416 5.210 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1812958245 KRDYSBNDNPNRNQ-AZGAKELHSA-N 483.603 5.274 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1813229614 VNZILQCRRCJSFR-ATIYNZHBSA-N 478.036 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(Cl)cc2Cl)n[nH]1 1814367152 XWTAFEFXIKOXHQ-KRWDZBQOSA-N 464.397 5.410 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n[nH]2)c1 1814372385 MPKPLHDRKRSUMK-JOCHJYFZSA-N 472.936 5.036 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c(Cl)c1 1817826813 JXJMVVXODMFOMC-SFHVURJKSA-N 479.949 5.362 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)ccc2c1 1818115809 KKBJCPBOBHSHGG-VDZCTEQFSA-N 499.596 5.073 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)n2C)n[nH]1 1818379768 NXMFRCQQJAKWFD-INIZCTEOSA-N 465.520 5.065 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCCC[C@@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818939625 JFLIIZKFAHVHGD-OAHLLOKOSA-N 492.395 5.216 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819221495 IIIVWZFHVBZOEK-NRFANRHFSA-N 465.985 5.619 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc4ncsc34)sc2C1 1819255351 STGSJOIIGMPFTQ-INIZCTEOSA-N 496.734 5.030 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CC=C)C(=C)C)n[nH]1 1819308816 DHKRACUPZXRMMN-URVUXULASA-N 499.656 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)[nH]n1 1819309945 LQEAEWVTVSCDKS-OXQOHEQNSA-N 488.991 5.214 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1819385084 JAXRVSFGSXQLPW-XMMPIXPASA-N 487.680 5.315 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819385109 INKOXFFKFCKQAQ-FQEVSTJZSA-N 456.688 5.137 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)[nH]n1 1819556934 QQHCWQBVVFWDGZ-FQEVSTJZSA-N 468.598 5.034 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(F)cc3)n[nH]2)cc(C(F)(F)F)c1 1820556369 WNNHFSLAWAULLA-FQEVSTJZSA-N 485.441 5.059 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)cc1 1821180673 JMGOLDAXEFJYHC-HSZRJFAPSA-N 475.980 5.068 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1821920038 GLDLRSXGJVJZFT-OXJNMPFZSA-N 466.969 5.841 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1)c1ccc(O)cc1 1822466462 DWJGHOVTWZJMMI-OFVILXPXSA-N 496.567 5.365 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)Cc2ccco2)n[nH]1)c1ccccc1 1822844036 GNMKGYAUQPHORA-PBXXJUDPSA-N 472.589 5.071 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1)C(F)(F)F 1823289630 IAPOITHUYXNYIK-MRXNPFEDSA-N 474.405 5.161 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1 1824054547 ZHQBBUPFCVZYJL-NDEPHWFRSA-N 487.644 5.213 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824248157 PIJIVQKRUSDAIA-BDYUSTAISA-N 489.100 5.682 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1824326482 PVBFLYIQGXWWKV-NHTMILBNSA-N 491.717 5.148 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1824538560 RJOUTNWJQQUDDT-GPJHCHHRSA-N 463.087 5.018 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1)c1ccc(O)cc1 1825301956 AYBBMYWSOHNRGV-PWLQFARKSA-N 490.669 5.284 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1826686564 KXUHDMNTFZUJTG-BNVTUTKDSA-N 470.057 5.537 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c1 1827780044 UNTXTTAQSQQZAY-VGSWGCGISA-N 487.522 5.473 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828507784 BSVCVNDGOITIMG-HSZRJFAPSA-N 469.423 5.412 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)nc2)CC1 1828825323 VKSNUZCYEHQXBM-BJKOFHAPSA-N 451.655 5.381 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(O)nc3ccccc23)CC1 1829066829 VRXIXOQYQSFYDO-XMMPIXPASA-N 463.622 5.166 30 20 JKED Cc1cc(Cl)c(Br)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C#N)CC1 1829648221 DWXPUMPOVYZYNJ-FQEVSTJZSA-N 494.861 5.194 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274001 FCIAPUQGQWGPBR-XUZZJYLKSA-N 495.067 5.411 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1830418324 UGJCANPPYVYEDO-DENIHFKCSA-N 469.651 5.244 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2C)CC1)C(F)(F)F 1830503135 NURCQQSVUSIXJL-IBGZPJMESA-N 487.360 5.109 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 1830545915 VYBHGXGHCHINFS-HXUWFJFHSA-N 499.371 5.115 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(OC(F)(F)F)c3)CC2)CCC1 1830803955 MWGKDJOJMIYOAA-FQEVSTJZSA-N 497.945 5.166 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830987950 OVCLWQNHKFNVTK-HSZRJFAPSA-N 481.434 5.249 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1)C(F)(F)F 1831452784 BXHGTNXTLMYLCU-QHCPKHFHSA-N 477.571 5.029 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1831510492 ULUPJMHRDBEXRM-IBVKSMDESA-N 461.581 5.124 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1832056103 JHQYIRDEYBZIIT-SXOMAYOGSA-N 479.709 5.263 30 20 JKED Cc1c(F)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832630033 XODWUYURCCYDKY-NIYFSFCBSA-N 461.581 5.308 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1832671420 MABPSSHZAKURAZ-XMMPIXPASA-N 480.008 5.076 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)N(c3ccc(Nc4ccccc4)cc3)C(C)C)cnc21 12515000 QKYNJGOGNOJYDX-UHFFFAOYSA-N 491.642 5.360 30 20 JKED N#CCC[C@@H](C#N)CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 15234425 VSDVNHBUDWNERJ-INIZCTEOSA-N 462.629 5.705 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Nc2cccc(Br)c2)s1 16543098 SYSFTYJAKSNMRX-UHFFFAOYSA-N 480.800 5.300 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccncc1 16762292 VPYGCICWZMFZBZ-MRXNPFEDSA-N 474.977 5.282 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1Cl 21802112 OWGWXFDBWOTBSB-UHFFFAOYSA-N 478.719 5.288 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 22152028 JRZIYQMOGINKQF-UHFFFAOYSA-N 496.017 5.586 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)s1)[n+]1ccc(Cc2ccccc2)cc1 22686150 MXOSXTPJFKHIDP-UHFFFAOYSA-O 473.643 5.994 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccccc2C)cc1 22695704 DTCPPCCRKDJXTL-UHFFFAOYSA-O 454.413 5.658 30 20 JKED C=CCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2cc(-c3ccccc3)sc2c1=O 24268052 IRZCUQIHIIQMDO-UHFFFAOYSA-N 482.656 5.433 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2cccs2)c1 24538473 BDTIBYWHQXIJFZ-KRWDZBQOSA-N 475.035 5.616 30 20 JKED CCOc1ccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 27155427 GWFDZIPHXVXWBR-XMMPIXPASA-N 467.569 5.328 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1OC 28925336 KSSZKZJIMTYACJ-HNNXBMFYSA-N 459.384 5.222 30 20 JKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OC[C@H](O)COc1ccc(CC#N)cc1 30533306 GDYQMFLEDLDSLL-XMMPIXPASA-N 466.537 5.285 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC(c3nc4ccccc4s3)CC2)CC1 32688090 FOCPNGFCJFQYCY-UHFFFAOYSA-N 487.585 5.039 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 32786839 GEKGWUMYMQEBPL-MRXNPFEDSA-N 479.606 5.437 30 20 JKED C[C@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 32875840 JGADIGNUFYWQPJ-YADHBBJMSA-N 488.661 5.242 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1cccs1 45697379 FLLGAJQZNLYAIO-ZDUSSCGKSA-N 457.650 5.205 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3nc(C4CC4)cc(C(F)(F)F)c3=O)c2C#N)C1 108278309 ZKNAKADDHVILLL-CQSZACIVSA-N 492.567 5.252 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)C2)cc1 108740070 PCUNAXAIPKCNNM-SANMLTNESA-N 469.560 5.087 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 109621577 DSJQWFFQQXPOBN-UHFFFAOYSA-N 482.783 5.115 30 20 JKED COc1cccc([C@@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c2c[nH]c3ccccc23)c1OC 110524661 IZCVOFHSRCEUCQ-UFHPHHKVSA-N 497.595 5.408 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc(-c2ccncc2)cs1 195662593 SGGJUGKGQICZRM-SJORKVTESA-N 485.396 5.241 30 20 JKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)c(Cl)c2)CC3)CC1 195745643 KUOAELSREWIONA-AQTBWJFISA-N 462.380 6.404 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(N2CCCCCC2)nc1 409495951 QHQMTHDPXKKNEU-UHFFFAOYSA-N 475.406 5.261 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(NC(=O)c4ccccc4F)n3)c2)c1 480156403 QCDAQENFPLPDQA-UHFFFAOYSA-N 486.528 5.166 30 20 JKED CCOC(=O)c1c(NC(=O)CSc2ccc(C#N)cc2)sc(C(=O)Nc2ccccc2)c1C 482269593 RZQOQAQOSYJVMN-UHFFFAOYSA-N 479.583 5.088 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cn1 483025758 MEUHLBLNLHTSMH-UHFFFAOYSA-N 481.508 5.485 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3coc(Br)c3)s2)c(C(F)(F)F)c1 487348709 CQUUFSZUUDCNEN-UHFFFAOYSA-N 456.243 5.232 30 20 JKED C=CCn1c(SCC(=O)N2CCCSc3ccccc32)nnc1-c1ccc(Cl)cc1 498333337 DWPIZGKRRKEMFT-UHFFFAOYSA-N 457.024 5.406 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 499985189 BVSPYUHFKKLCAH-UHFFFAOYSA-N 452.558 5.292 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CC1 503392294 XTVSEQWNUWNMIL-UHFFFAOYSA-N 492.377 5.252 30 20 JKED COCCCn1c(SC[C@H](C#N)CCC#N)nc2scc(-c3ccccc3Cl)c2c1=O 508451994 AZKDNCIPHZDRQW-HNNXBMFYSA-N 473.023 5.351 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 508585417 BRCWNVZIKMOMJM-COPCDDAFSA-N 451.954 5.022 30 20 JKED CN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCSc2ccc(Br)cc21 509276665 LPOMIPYXVULHKJ-GOSISDBHSA-N 483.353 5.698 30 20 JKED C=CCn1c(SCC(=O)N(C2CC2)[C@@H](C)c2ccco2)nnc1-c1ccc(Cl)cc1Cl 509846523 OQRTUMHEGOHAMC-AWEZNQCLSA-N 477.417 5.875 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 510266044 ASNVHKMHWZQBDX-UHFFFAOYSA-N 481.512 5.681 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 510608218 KIDWNGKMVVIHMY-KRWDZBQOSA-N 455.518 5.517 30 20 JKED COc1ccc([C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N2CCCCC2)cc1 514638191 ARIJMFIKHHKLGC-MHZLTWQESA-N 485.653 5.816 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 514702356 ICEGZZUAFGFLPD-ZDUSSCGKSA-N 462.040 5.384 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(F)cc3C(F)(F)F)cc2Cl)cc1 515878914 CXQCBGWUHATHGK-UHFFFAOYSA-N 491.828 5.417 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1Cl 517142483 RKDFDDMSHGMWEW-XMMPIXPASA-N 496.998 5.821 30 20 JKED N#C[C@@H](C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1nc(-c2c(F)cccc2F)cs1 518871023 QPWJDMZAOITXGL-INIZCTEOSA-N 479.533 5.570 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 519434363 VQFKPDZNEXXOLF-UHFFFAOYSA-N 474.508 5.707 30 20 JKED CCCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@@H](C)c1ccccc1OC 519914238 OMUYAIXGRUGIBI-IBGZPJMESA-N 456.546 5.824 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1)c1ccccc1 521208393 RCMKJHZSLAYZBX-UHFFFAOYSA-N 468.601 5.844 30 20 JKED COc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)c3ccccc3n2)cc(OC)c1OC 521550544 BBGLGYZPXYIZAS-IBGZPJMESA-N 479.492 5.559 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(NC(=O)NC2CC2)cc1 522344649 JJVKBAQGUIUVBB-IBGZPJMESA-N 485.563 5.454 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)o1 522627968 IGKQHZLUWBJKAJ-IBGZPJMESA-N 488.931 5.453 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 523696599 LZVODWFRPBHTPV-FQEVSTJZSA-N 483.572 5.408 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 524412953 IAIHEMKSKQBCNI-LJAQVGFWSA-N 489.575 5.426 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 524438100 OPVZJKUBQKMCTN-UHFFFAOYSA-N 477.511 5.799 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 561408372 NHWYWLTZUVICIA-MRXNPFEDSA-N 477.461 6.174 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(C)nc21 587989038 RBOUAMSCUDKDQW-DZGCQCFKSA-N 451.502 5.603 30 20 JKED N#C[C@@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc2cc(C(F)(F)F)ccc2s1 589244771 CKNKQNKBWCASRN-AWEZNQCLSA-N 461.465 5.992 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1Br 589887155 YZUSYJFPDIGFGI-AWEZNQCLSA-N 477.767 5.733 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)n2)cc1 594362872 CLFHMLVIDJQKRV-HSZRJFAPSA-N 488.590 5.283 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)C(=O)NCCSCc4ccccc4C#N)cc3)sc2c1 603702752 WNUBBLGHSBJPNV-UHFFFAOYSA-N 486.622 5.132 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 603758357 VCPSKJHHLQYBGN-UHFFFAOYSA-N 472.517 5.368 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CN3CCCCCC3)CC2)cc1Cl 603829074 UDPFALAXQMKBMH-VWLOTQADSA-N 465.041 6.115 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnn4c(-c5ccccc5)ccnc34)c2)cc1 603920793 ANKXRMLIINMQHT-UHFFFAOYSA-N 459.509 5.294 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 603962389 SVOZKQNADPLADR-MWTRTKDXSA-N 463.990 6.073 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 604495260 JNKDAOFYAFQINI-UHFFFAOYSA-N 486.450 5.103 30 20 JKED COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCc1ccccc1 608918685 UWYXZTNQSQHNJG-NRFANRHFSA-N 457.574 5.827 30 20 JKED CCCCc1ccc([C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 608991507 GVCHJULKENNBEG-AREMUKBSSA-N 473.646 5.415 30 20 JKED COc1cc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OCc1ccccc1 609054683 HWUWHIZTTIKZOV-UHFFFAOYSA-N 468.509 5.248 30 20 JKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc(OC)c1Br 609104281 UGEPPWSVEHJQFH-UHFFFAOYSA-N 485.309 5.308 30 20 JKED C=CCN(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609148803 IBGXMMYXWUSBFY-UHFFFAOYSA-N 496.442 5.225 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 609434635 DTLMOSKEJFICHF-HOCLYGCPSA-N 471.051 7.049 30 20 JKED O=C(NCCc1ccc(OC(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612662947 OAJBUQQBCJHKKC-RYUDHWBXSA-N 466.344 5.336 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCN(Cc2ccc(F)cc2Cl)CC1 612804605 SDVWKAOQGNZHLK-ZIAGYGMSSA-N 489.863 5.216 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344275 CSPCTAHRAJZPGU-QGZVFWFLSA-N 482.348 6.452 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)cc1 642281080 IBQLGOZOVMRESY-FQEVSTJZSA-N 459.958 5.472 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2C2CCCC2)cn1 726113456 ORKDAMMTIXCQMK-GOSISDBHSA-N 480.421 5.113 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCc3c(Cl)cccc32)cn1 726116743 JTYIDUVFBDIXJP-YADHBBJMSA-N 494.020 5.204 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 726271064 RHZCFJXLTQZTQJ-RDPSFJRHSA-N 494.611 5.445 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(OC)ccc1OC 726396443 JNZFYNINJQFAAZ-SFHVURJKSA-N 496.416 5.381 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@H](C)c1ccc(Cl)cc1Cl 726400010 YIQMNUMBNSTGMV-GOCUSFHVSA-N 498.407 5.169 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726405058 BNILLOODFDVSCJ-VGSWGCGISA-N 499.036 5.214 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)cc1Cl 726405447 FHZYTZJLYQYJAE-FQEVSTJZSA-N 481.002 5.434 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)cc1Cl 726406480 KLUISMSXDNWAQP-HXUWFJFHSA-N 499.379 5.619 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccs2)cc1F 726410084 FQPUNQXTFMAZKD-OAQYLSRUSA-N 499.589 5.065 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)c1 726692499 ZQVCLJBUZAQCNA-UHFFFAOYSA-N 468.465 5.318 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)c(Cl)c1 726890730 LNCZTWKOFMWQAC-MRXNPFEDSA-N 486.808 5.636 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1 726941733 JPWDIPCZDZDLOF-UHFFFAOYSA-N 471.941 5.149 30 20 JKED O=C1/C(=C\c2cnc(-c3ccccc3)nc2)CN(CC2CC2)C/C1=C\c1cnc(-c2ccccc2)nc1 727266772 FMNKYLBZVDTJCU-DYCUMYEBSA-N 485.591 5.362 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccccc3SC[C@@H]3CC3(Cl)Cl)CC2)nc1 727590222 XGMQXIMVBWNNEN-INIZCTEOSA-N 476.433 5.030 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(-c2ccccc2Br)nn1 727996800 NQAKVWICRGFYRF-UHFFFAOYSA-N 488.345 5.041 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 728062420 NLRDEOVFVVGRSB-HXUWFJFHSA-N 470.573 5.058 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1cc(Cl)ccc1Cl 728109538 TVHILZFFAUVIRO-ZDUSSCGKSA-N 459.285 5.221 30 20 JKED COc1cc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(OC)cc1NC(=O)c1ccccc1 728264285 FDCSIFFFLZDUAM-UHFFFAOYSA-N 494.551 5.488 30 20 JKED CS(=O)(=O)c1ccc(-c2nc(COC(=O)c3ccccc3-c3ccccc3C#N)cs2)cc1 728318132 IIFBVZSZMGOMGJ-UHFFFAOYSA-N 474.563 5.109 30 20 JKED O=C1/C(=C\c2cccnc2Cl)CN(C(=O)c2ccccc2Cl)C/C1=C/c1cccnc1Cl 728698388 IWHMIBHYYFHRRK-WHYMJUELSA-N 484.770 5.629 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(CCCCC#N)C2=O)c1 728778532 SMNJDNRXXHHCFE-DEOSSOPVSA-N 476.646 6.081 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3scnc3C)C2=O)cc1 729146307 QXUFDOSDMDEFTQ-IBGZPJMESA-N 485.034 5.574 30 20 JKED CC(=O)N(c1nc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)cs1)c1ccc(F)cc1F 729150027 HXOVWZJVRIFDBL-WDZFZDKYSA-N 465.308 6.235 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 729569869 UUHFXCUJUAZCIO-JOCHJYFZSA-N 478.593 5.166 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1Cl 730944202 SOSFWWUZDFIOGH-JTSKRJEESA-N 479.005 5.134 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1C#N 731062631 GAIHWGUKXHUCNU-SFHVURJKSA-N 455.539 5.273 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731304233 MUAIVDOOKLPVHD-IBGZPJMESA-N 473.476 5.068 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCOC(C)(C)C)c1 731313003 RZPZPLDFPFYNOZ-QFIPXVFZSA-N 483.634 5.291 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 742506315 GZXBOWVYAHWZNO-VWLOTQADSA-N 459.590 5.477 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2c(S)nnc2-c2ccccc2OC)cc1 744729295 RHZCGOMTZVZPOU-UHFFFAOYSA-N 496.596 5.045 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 745918955 VVTGBGUWNYGACY-MSUUIHNZSA-N 459.571 5.022 30 20 JKED CC(=O)Nc1cccc(-n2c(C3CC3)nn(CN(Cc3ccc(C#N)cc3)CC(C)C)c2=S)c1 746056119 UKSYTPBNNIQGCG-UHFFFAOYSA-N 474.634 5.226 30 20 JKED COc1ccc(CN2C(=O)/C(=C/c3ccc(OC)c(OCCCC#N)c3)c3ccccc3C2=O)cc1 747361825 YCLSZVJEXYHWDT-KOEQRZSOSA-N 482.536 5.110 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 748725182 ZJOUCQGUXFRDAS-UHFFFAOYSA-N 471.358 5.615 30 20 JKED CC[C@@H](C)n1c(SCC(=O)N2CCSC2=Nc2ccccc2OC)nnc1-c1ccccc1 749786832 XZRMFWINPQAGSP-QGZVFWFLSA-N 481.647 5.280 30 20 JKED CC(C)COC[C@@H](c1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 750915304 DLLCGJCYLCLOON-LADGPHEKSA-N 491.613 5.654 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 751085473 WOAJLZXZIHWRNK-IBGZPJMESA-N 483.265 5.107 30 20 JKED C[C@H]1C[C@H](C=Nn2cnnc2SCc2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C 807957844 ADJWDJRGBMGMQI-DOTOQJQBSA-N 450.008 5.093 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1F 808307326 OOYGGKQXEYPECG-SFHVURJKSA-N 475.574 5.362 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccs2)c1 837359934 KZPOJXXUOXHKQG-HXUWFJFHSA-N 487.553 5.195 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3cccnc3)C2=O)cc1 837387326 GQKRFFGAQWZGGZ-HOYKHHGWSA-N 486.597 5.314 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C3CC3)CC2)c1 837452747 CMKTWIGZKTVOOC-XMMPIXPASA-N 494.636 5.030 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1 837742232 ROFWEYFYOHFHJH-VFNWGFHPSA-N 466.513 5.081 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cnc3ccccc3c2C(F)(F)F)ccc1Cl 875252161 UUWRUKAOFJDEAX-UHFFFAOYSA-N 475.854 5.319 30 20 JKED N#Cc1ccc(N2C[C@H](c3nc(-c4ccc(OCc5ccccc5)cc4)no3)CC2=O)cc1Cl 904423751 PWTFDDRILOSEPI-HXUWFJFHSA-N 470.916 5.361 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 914604141 CUFPRQKMKLPXKU-HNNXBMFYSA-N 451.866 5.105 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccccc1OCc1ccncc1 914692230 MESYMIDCMQXSNC-UHFFFAOYSA-N 456.358 5.397 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 914694248 FXJJYFFKOIHWIU-QVKFZJNVSA-N 469.513 5.149 30 20 JKED Cc1cc(=O)oc2cc(OCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc12 915102798 HRJZJZKHMACSCK-KRWDZBQOSA-N 485.348 5.787 30 20 JKED CCOc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915784653 YTAMSPZKXCPWHL-VMPREFPWSA-N 489.575 5.585 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1Cl 916212023 SYEYJHWKBNXJRA-HXUWFJFHSA-N 487.940 5.241 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916906174 CGOIGDDQWKCPRS-HXUWFJFHSA-N 495.398 5.822 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OC 916916191 PTSAIAXWUBMVCA-SFHVURJKSA-N 481.346 5.361 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1 916925866 PWPQZHMBGFIJHT-IBGZPJMESA-N 451.573 5.104 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)cc1OC 916935830 WTUFGHIRNXGTAR-QFIPXVFZSA-N 474.582 5.574 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(OCc3ccc(C)cc3)cc2)c(OC)c1 917030668 MOMXQUCOJIVKOS-UHFFFAOYSA-N 460.559 5.021 30 20 JKED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 917034668 MLNSCBSNOPNULA-DEOSSOPVSA-N 479.001 5.322 30 20 JKED C=CCOc1ccc(/C=C\C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 917045280 XICSWHZHKWEEHH-OUOZUETKSA-N 458.461 5.778 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl 917506650 DLBAWRHAPXTTPC-ZDUSSCGKSA-N 463.342 5.535 30 20 JKED CCCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1OC 917560505 OTHCNVDQZZENLM-JLHYYAGUSA-N 464.587 6.220 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc3ccccc23)n1 917653636 MTPDXEMTRGQDDN-DEOSSOPVSA-N 481.581 5.099 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)c1 917714923 USEMQTPLWMLWCY-DEOSSOPVSA-N 490.604 5.547 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc(COc2ccccc2)n1 918709348 FMVZAHVGZTTZFW-UHFFFAOYSA-N 458.568 5.351 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)N1c2ccccc2Sc2ccccc21 919514996 ZKYSCXAZDNGLSW-GOSISDBHSA-N 496.544 6.105 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 920101438 AEXUDBCDIDLCBX-LJQANCHMSA-N 473.872 6.036 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ncnc4sc(C)c(C)c34)n2)cc1 920144464 RQGRTNYSCIYUPK-KRWDZBQOSA-N 480.640 5.799 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccsc2)c1 920172182 GKZTYZPOOIHZTM-NRFANRHFSA-N 493.610 5.224 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc(-c2ccncc2)cs1 920264994 HEJUZXIUZFTZEH-JOCHJYFZSA-N 466.541 6.302 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3ccccc3c2)no1 920359146 HRXYLCNLMSXAPL-QHCPKHFHSA-N 470.554 5.297 30 20 JKED Cc1sc2nc([C@@H](C)OC(=O)c3cccc(OCc4ccccc4C#N)c3)nc(O)c2c1C 920636020 QGEAHSYWFPQWGS-OAHLLOKOSA-N 459.527 5.382 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12 928975356 NKCQRJXNOWHDHD-LJQANCHMSA-N 498.539 5.007 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3Oc3cccc4ccccc34)CCO2)C1 1783113884 JSJAMDIEWWMBEN-SMSORMJASA-N 484.596 5.288 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1786372739 VSAXSPANWDSBEG-MRXNPFEDSA-N 451.954 5.160 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3N3CCCCC3)CCC2)cc1 1786374456 YBAXTAUTSPHGCL-NRFANRHFSA-N 461.606 5.016 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccco5)no4)cc3)CCC2)c(Cl)c1 1788420526 UCQSUINLCQQUES-UHFFFAOYSA-N 486.915 5.521 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c[nH]c5nccc-5c4n3C)CCC2)cc1 1789626389 LOLQCPRFMVCQJB-UHFFFAOYSA-N 483.616 5.746 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1789627940 JQYLUXIRGOSYOC-XYWHTSSQSA-N 483.653 5.416 30 20 JKED CCOc1ncc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1789840506 UHPJQUDUMZEGFV-UHFFFAOYSA-N 474.948 5.067 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2)CCC1 1789855726 IVTPDIVUGKDHEM-UHFFFAOYSA-N 453.411 5.060 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789994896 XFZVNJLYFNVVNH-IBGZPJMESA-N 481.552 5.214 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sc(C)cc5[nH]4)CCC3)cc2)c1 1790076016 YCZGIOONMQTUCV-UHFFFAOYSA-N 484.581 5.480 30 20 JKED COc1cc(OC)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c1 1790279266 GFBMEPNVLIKJET-UHFFFAOYSA-N 489.959 5.290 30 20 JKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)c2s1 1790287698 MWVUJLRXBGXEIP-UHFFFAOYSA-N 466.566 5.538 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(OC)c34)cc2)CCC1)C(F)(F)F 1790920663 XABNDOLAJLMARQ-UHFFFAOYSA-N 457.452 5.043 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2C1 1792076156 FSGXLIVPBDLIGI-KNBMTAEXSA-N 485.839 5.009 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4Cc5ccccc5O4)CCC3)cc2)c1 1792123687 PEXUMQKXYMGHAS-AFMDSPMNSA-N 465.553 5.065 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1792146369 WVALORIHNJHPFW-UHFFFAOYSA-N 473.960 5.476 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C/C(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792205198 QKYUWHKCUHPMQK-NCSHYYEOSA-N 469.626 5.192 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(Br)c3)CCC2)cc1 1792266380 SFHAHMXTTJRNKS-UHFFFAOYSA-N 459.771 5.264 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1792495745 PDCPKBPRLYFDGS-UFOJEMMLSA-N 497.639 5.097 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2ccccc2Cl)c1C(F)(F)F 1796473820 YXYOHJBYHPUVOD-WCXIOVBPSA-N 494.945 5.009 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccccc1)c1ccccc1 1797034810 ZCLAAGCTYPBDKP-XUJYPJAKSA-N 477.608 5.198 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1)C2 1797102138 IMEIBLWLIDDYHR-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1801637516 HYKIDQDNGXXWMP-YLCUBWEDSA-N 454.014 5.092 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1802502317 AXVWOQPDXZGPPQ-LADGPHEKSA-N 488.657 5.517 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(C#N)cc4)C3)CC2)c1 1804942890 HXCYSVOAAQYPAB-UHFFFAOYSA-N 492.623 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1805458278 FLJXDLXTLNCUBO-UHFFFAOYSA-N 470.613 6.199 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCCC(=O)Nc3ccccc3)C2)CC1 1805472172 BYTGZWBTGHJIKM-UHFFFAOYSA-N 467.654 5.019 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808974660 JFHIVSXZBBZNNX-ZEQKJWHPSA-N 455.602 5.547 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1810500070 LFXYMEPYQRPBIV-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1810503084 NZTNCAICSPKNCV-NFBKMPQASA-N 498.465 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1810504071 VXYUJRVSBDPMTB-CPJSRVTESA-N 491.035 5.595 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1811159418 HDPYIUIAOHNCDG-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c1 1813869099 XHXDDEZSYBXXMT-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1813869637 LNRHZHPKXMJSET-VKGMGNCJSA-N 486.660 5.635 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814373643 XXQQAHPFBDCPNV-OAQYLSRUSA-N 451.958 5.044 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1815208859 PBXGCVSNGFWORP-OAQYLSRUSA-N 489.016 5.139 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1815655651 UUVHQNNNIYRHNL-XMMPIXPASA-N 499.640 5.555 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817739390 RQEDVZKIZRHUDV-GJZUVCINSA-N 483.616 5.854 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccc(C)cc2)[nH]n1 1819306623 ABTWGPMBFWHXQE-RBBKRZOGSA-N 452.624 5.271 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386249 FDTLTHVHTZKTBI-QFIPXVFZSA-N 480.685 5.084 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1819481555 UMCBILDIDGVIAA-HGFFDCOOSA-N 481.556 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)[nH]n1 1819552448 LUXOGBFDCRVRDG-XMMPIXPASA-N 494.636 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)[nH]n1 1819557084 WXTIVXASFCNIIE-ZEQRLZLVSA-N 477.653 5.059 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCCCC(C)(C)C)[nH]n2)c1 1820209124 YNENKJUNPMLLNI-HSZRJFAPSA-N 479.625 5.592 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)[nH]n2)cc1 1820547312 ILKNLYJWDLLZRU-JOCHJYFZSA-N 482.569 5.025 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821107012 GBVHNJMDEBCDNS-LJQANCHMSA-N 491.817 5.325 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(-c5ccccc5)n5ccccc45)sc3C2)C1 1821157001 QIHCIWWPLGHTLY-HXUWFJFHSA-N 482.609 5.255 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1821157304 GEHLMTFTJJLPLI-SANMLTNESA-N 492.583 5.309 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)c(Cl)c1 1821280443 SHDHVPFQNYDDJY-MHVXWQKQSA-N 465.985 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cccc(OC)c23)n[nH]1 1821490939 PXHATMTXDDPECF-HXUWFJFHSA-N 463.582 5.198 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1 1822283099 SWLSVFDYJFESLA-DENIHFKCSA-N 454.640 5.246 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1822399818 BRCYQEYWCYHDPO-JOCHJYFZSA-N 453.546 5.211 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1)c1ccc(O)cc1 1822465105 LHGAHBPDXVEMDH-RCSBWOJUSA-N 488.563 5.015 30 20 JKED COc1cc(C)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1823161739 UZQTVKBZUXEBSA-QFIPXVFZSA-N 480.685 5.084 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)[nH]n2)c1 1823211713 GVNYLEVEYYRELX-IFXJQAMLSA-N 485.466 5.268 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)[nH]n2)c1 1823217410 RYQGLCHTCNTGAF-HOYKHHGWSA-N 494.555 5.311 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1823889598 FQMCXCNMHOFZFY-GOSISDBHSA-N 470.828 5.430 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2SCC)CC1 1824143883 SDSMVQGXOKGOBP-QFIPXVFZSA-N 455.668 5.195 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1824959342 WXXYNYQFLDVMPI-HXUWFJFHSA-N 460.640 5.193 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)CC1 1826481163 CUNJBZHQDUWRIG-VWLOTQADSA-N 470.705 5.039 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1826693194 ATBXLZUAWGQZBZ-URXFXBBRSA-N 481.040 5.165 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1 1827923997 DZFVOZNIMTXOPS-XXBNENTESA-N 451.636 5.256 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828512434 CYJPRMVUGKWTIS-DEOSSOPVSA-N 471.592 5.672 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828602027 OLMPDIXATBUCSB-JOCHJYFZSA-N 472.626 5.257 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 1828823345 FJKFOABBGJQIAC-ILBGXUMGSA-N 461.606 5.343 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)ccc2[nH]1 1828906767 GPNSOWGSWYIELR-HHHXNRCGSA-N 491.752 5.761 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1829181190 CENCWQLGXJSQPC-OAQYLSRUSA-N 485.415 5.116 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)c1 1829778780 TZZQVURUUZFPIE-HSZRJFAPSA-N 499.442 5.158 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829900366 HWXAOTWPURAYRJ-AZUAARDMSA-N 457.467 5.181 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830102220 BEVSWTLUZHTCOJ-AREMUKBSSA-N 477.580 5.033 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(OC)cc3C#N)CC2)CC1 1830288246 DBBRKIONTFSEIY-HPJWIMSGSA-N 493.692 5.336 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 1830416421 PYMFXHLGBLWRHT-UYAOXDASSA-N 461.672 5.080 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c2O1 1830628292 HXBCMNASPNHNON-HHHXNRCGSA-N 499.655 5.403 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)[nH]c12 1830718440 HHDMXSWHJQBVLH-VWLOTQADSA-N 472.564 5.034 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC1 1830756110 RUFWDURYUGBSGP-QPPBQGQZSA-N 487.566 5.557 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3ccc(Br)cc23)CC1 1830826984 NGLRSMLLRCINMO-DEOSSOPVSA-N 496.449 5.034 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)CCCCC)CC1 1831771782 UIPGZFQLYXNCGT-GMKZXUHWSA-N 491.717 5.292 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSC3CCCC3)CC2)c1 1832628832 CRPIXVLKWCRGJC-CJFMBICVSA-N 467.679 5.223 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832631347 CWMWXJZGTZBCKT-WXVAWEFUSA-N 489.685 5.648 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2c1 1832632227 MYCXEXXEYLTYHO-PIKZIKFNSA-N 482.628 5.651 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1832633927 HILJKHZMSOEFRR-HFZDXXHNSA-N 486.660 5.553 30 20 JKED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccccc3)cc2)C1)c1ccc(O)cc1 1845313624 ZCCHAGVQAYETHO-VWLOTQADSA-N 494.591 5.199 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179084 HHPDABRGJBTFEJ-UHFFFAOYSA-O 489.448 6.042 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179233 BIRNXWJDDDUVAA-UHFFFAOYSA-O 481.375 5.676 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccc(OC)cc1 10776318 FGTHFZSHYHABGH-CQSZACIVSA-N 487.507 6.062 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Cl)c2C)cc1 11257782 OANTYIRYVJNDJJ-UHFFFAOYSA-O 459.969 6.218 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2sc3c(c2c1=O)CCCCC3 20883094 QJEUHYGUDJGJQE-HNNXBMFYSA-N 469.632 5.041 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccccc1 21754841 SLIXRPMNKFGMIL-IBGZPJMESA-N 456.571 6.043 30 20 JKED Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1-c1ccccc1 22100409 NIICSPHTSNNBJC-IBGZPJMESA-N 457.559 5.263 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2cc(C)ccc2C)cc1 22729588 DVKQGZLCVUBBDR-UHFFFAOYSA-O 468.440 5.967 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1cccnc1 23283331 CQMLDVITCJWGFC-RXJRQCNISA-N 474.634 5.049 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 24345189 FSVYZGOLMDHFGN-UHFFFAOYSA-N 487.629 5.765 30 20 JKED CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 24507761 GQUGRYYHUAUJHW-UHFFFAOYSA-N 476.650 5.415 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccc(CSc4nc5ccccc5s4)cc3)CC2)cc1 29985945 QPESUGRPRSETLW-UHFFFAOYSA-N 498.677 5.808 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2COCC)c1 30179350 FLUDYBVQGGBYIG-UHFFFAOYSA-N 499.032 5.188 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nnc1-c1ccccc1OC 31843669 WRLBPYLBVASJIP-UHFFFAOYSA-N 480.615 5.573 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 32787223 NVYIGXANHHRIGP-HNNXBMFYSA-N 461.418 5.331 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)COC(c2ccccc2)c2ccccc2)cc1 59799249 CXAKOXIWUSHBJV-UHFFFAOYSA-N 462.549 6.076 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)c2ccccc21 69891512 QWESZNRUZHQHAQ-UHFFFAOYSA-N 491.020 5.364 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 107834265 KJGKGWLSKLCCNU-UHFFFAOYSA-N 483.437 5.834 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 117223545 JETBTXFSEMBKKY-NSHDSACASA-N 481.368 5.158 30 20 JKED O=C(NCC(F)(F)F)c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 138117089 JCTNQYXGXVYSNW-UHFFFAOYSA-N 458.280 5.269 30 20 JKED Cc1cc(C)nc(Sc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)n1 303201935 XQMZEHZRJIUKSH-UHFFFAOYSA-N 456.527 5.541 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 303262613 FNALWZZMIZZOQN-INIZCTEOSA-N 460.584 6.019 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1 410131234 QFSMEDMRGNQJID-UHFFFAOYSA-N 491.551 5.301 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCC3(c4ccccc4)CCOCC3)cc2F)c1 481633715 YVJPZPLUOQWJOU-UHFFFAOYSA-N 459.521 5.146 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2c(C)cc(C)cc2C)o1 483298189 REHAYIMFSXCABC-SFHVURJKSA-N 450.564 5.098 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)nnc1-c1ccc(Cl)cc1 485380496 MABMTYRMBYIPEH-IBGZPJMESA-N 480.943 5.639 30 20 JKED Cc1ccc(C(=O)CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1 487417171 KRTVQBRLHOLHBE-UHFFFAOYSA-N 463.506 5.596 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)cc1 489908413 ULGWUKQZSIXTDA-UHFFFAOYSA-N 457.515 5.022 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 490654469 YBIPTKOWAZVHRW-UHFFFAOYSA-N 477.446 5.183 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c1 498834596 GLDHDHDREWWWHL-KRWDZBQOSA-N 465.579 5.359 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc(Br)ccc3F)c2)cc1 504178882 RMZXFAGSCSHUGS-UHFFFAOYSA-N 468.326 5.555 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 505213334 KYZVJMXWFCPCBN-UHFFFAOYSA-N 468.388 5.399 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1 505625191 YWLFFNLTFPSDMU-UHFFFAOYSA-N 459.449 5.504 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 506990820 WWXBFXVQEUXCNO-UHFFFAOYSA-N 470.932 5.254 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 508141422 HBWBJKQGTFUJCM-UHFFFAOYSA-N 466.541 5.507 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1Cl 510012328 YGMXZXQQECWPJW-RSXGOPAZSA-N 492.982 5.330 30 20 JKED Cc1cccc(-n2c(SCC(=O)NCc3ccc(C#N)cc3)nnc2-c2c[nH]c3ccccc23)c1 510235068 DZNDXDHENZTHQO-UHFFFAOYSA-N 478.581 5.004 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 510460900 LPHFHJIBXRDISB-UHFFFAOYSA-N 478.408 6.319 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)cc1 511028777 LNOHBBLTVJBHTH-FQEVSTJZSA-N 455.961 5.532 30 20 JKED Cc1ccc(OCc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)cc1 511906672 QFIDLJBSWQDLQM-OAHLLOKOSA-N 468.604 5.136 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 512858016 UNLGSPZGIMPPFI-RUZDIDTESA-N 469.541 5.301 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 512957852 WWOSMSSVYZVTGQ-AWEZNQCLSA-N 496.942 5.835 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccc(F)cc1 513255739 IRWPUJHACYSIEN-UHFFFAOYSA-N 462.337 5.919 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 513666383 MAZXGUXWYHADIW-OAHLLOKOSA-N 455.564 5.946 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F 515306609 IAVFJYPIYHCIBF-ZDUSSCGKSA-N 450.461 5.408 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 515956409 BFGTUOHSTUTRHE-UHFFFAOYSA-N 487.503 5.173 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SCc4ccccc4)cc3)n2)cc1 516713960 MOFGEZYHIVAMRA-QHCPKHFHSA-N 451.576 6.464 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4cc(Cl)ccc4c3Cl)n2)cc1 517800875 MSAGEZIXHNVAPV-OAHLLOKOSA-N 454.363 6.693 30 20 JKED COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3S[C@H](C)CC#N)no2)cc1 518133781 RZFWIPUWRUZEJJ-OAHLLOKOSA-N 454.577 5.011 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 518660143 MNHZXXCFPFWJNB-INIZCTEOSA-N 469.563 5.131 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 518739179 RUDZLFZXPZDIIR-HNNXBMFYSA-N 468.376 6.283 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 519870635 QELNSVLPSMNGOK-UHFFFAOYSA-N 492.501 6.358 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)N[C@H](C#N)c4ccc(C(C)(C)C)cc4)nc(O)c23)C1 521292395 NJSCZDVDSUHXCA-DNVCBOLYSA-N 462.619 5.133 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CC)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1Cl 521487169 BDXQBKCHPFRXRY-INIZCTEOSA-N 482.462 5.562 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 524438200 UWSUHNKCWKLCJU-UHFFFAOYSA-N 496.611 5.145 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 524438521 INQUBDOQERSJKR-UHFFFAOYSA-N 467.569 5.881 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2F)c1 524460969 BJGPUUQFYNMISK-UHFFFAOYSA-N 477.442 5.781 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)n(-c2ccc(F)cc2)c1C 589516564 IBTINIATKRDBPP-UHFFFAOYSA-N 465.485 5.025 30 20 JKED CCn1c(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)nnc1-c1cccs1 590612806 MUJSYEBXIKQHJZ-UHFFFAOYSA-N 480.619 5.079 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OC(C)C 603649052 ROHUHHLWTUKPDJ-MRXNPFEDSA-N 450.564 5.284 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 603660044 WDLHZVZAIHSXBB-UHFFFAOYSA-N 478.577 6.914 30 20 JKED CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603828996 KAJFHBOZRDVCFQ-DEOSSOPVSA-N 472.976 5.552 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4[nH]c5c(Br)cccc5c4C3)cn2)cc1 604362180 RBXZSXPGQYUCJJ-UHFFFAOYSA-N 488.345 5.580 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc(Br)c4c(c3)OCO4)c2)cc1 604443943 DKTVUTRUSHLSBW-UHFFFAOYSA-N 494.345 5.145 30 20 JKED C=C(C)COc1cccc(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 608947238 SMDMNXOKNKWONB-UHFFFAOYSA-N 477.611 5.891 30 20 JKED N#C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(OCc2ccccc2)cc1 609028327 VDSACJOWGPVTQX-VWLOTQADSA-N 466.516 5.074 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2c(Br)cccc2C1 609080183 ROXIOKDMPVJCJX-UHFFFAOYSA-N 476.374 5.798 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCCc1cccc(Cl)c1Cl 609085961 QNPHDYBKKVNJDM-UHFFFAOYSA-N 482.367 5.050 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 609087309 GTGFEBFXXAGDTH-UHFFFAOYSA-N 495.501 5.533 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1[C@@H]1COc2ccccc2O1 613907267 CQXROARZRZIVDX-SBUREZEXSA-N 490.585 5.035 30 20 JKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 622277428 CFEJDCIGANIDIN-UHFFFAOYSA-N 473.751 5.013 30 20 JKED Cn1ccnc1[C@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1cccc(F)c1 642339811 ZVBOXXVERCNDFA-MJGOQNOKSA-N 461.381 5.310 30 20 JKED O=C(Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1)c1ccc(F)cc1 642517612 CJDTYUAJIBLOQA-UHFFFAOYSA-N 470.344 6.368 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCC(C)C)cn1 726110398 GVRYZBRAOLISIW-JOCHJYFZSA-N 463.607 5.063 30 20 JKED CC(C)c1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)n2ccc(=[N+](C)C)cc2)cc1 726571361 VEFXSTANHSFRKZ-UHFFFAOYSA-O 478.041 5.492 30 20 JKED CC(C)c1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1 727268818 UOSPTAXSZNZFSG-IBGZPJMESA-N 460.584 5.952 30 20 JKED Cc1c(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cccc1[N+](=O)[O-] 728062578 PAXXPNPPDSDKGN-INIZCTEOSA-N 464.909 5.446 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2CCCCC#N)c1 728778830 GAWLJEGBCHZBRP-JOCHJYFZSA-N 499.036 5.565 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729144762 FIIYNSYMEOOIDU-ISKFKSNPSA-N 483.609 5.222 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3scnc3C)C2=O)cc1 729145556 LYDOUBCIRYUUIE-NRFANRHFSA-N 494.642 5.401 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ncccc3C)C2=O)c1 729631499 ONCVXZSPTNJUTR-QHCPKHFHSA-N 476.577 5.306 30 20 JKED COc1ccc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c(Cl)c1OC 730434040 LOZZKIQFFXJDHL-UVTDQMKNSA-N 451.906 5.271 30 20 JKED O=C1/C(=C/c2csc(-c3ccccn3)n2)CCc2nc(-c3ccccc3Br)sc21 730436543 RMHSODTXNOZDHB-ACCUITESSA-N 480.412 6.304 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3cocn3)C2=O)cc1Cl 730728563 AKKYUWVPLSZOTE-USBHSWCUSA-N 489.022 5.288 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(CCOCC2CC2)C1=O)Nc1ccccc1F 730942011 AHEFQOLAYLDCPB-XMMPIXPASA-N 491.588 5.366 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCSc2ccccc2)C1=O)Nc1cccc(O)c1 731310860 ROXMUIQRRCGMCC-QFIPXVFZSA-N 495.601 5.284 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 746698078 UAYUWQLHXZZHIS-FQEVSTJZSA-N 477.989 5.256 30 20 JKED COc1ccccc1-c1nc(C(=O)O[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cs1 746916810 OLCXAKBFFLXNDV-YQCVNYCESA-N 462.571 5.245 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3cc(-c4cccs4)on3)n2)cc1 747114717 LTKXIDPFVNKXHM-QGZVFWFLSA-N 462.581 5.508 30 20 JKED CCOc1c(Br)cc(Br)cc1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 748584283 ONRXPIBQTRAXNN-YVMONPNESA-N 495.167 5.463 30 20 JKED Cc1cc(NC(=O)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1Br 748988850 NBAIZWKPZAQECF-OAQYLSRUSA-N 477.362 5.173 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1 749184523 APHKNHPVVBLQKG-VWLOTQADSA-N 452.489 5.990 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(C)c1 799213370 RAFCQOOHHBEFIW-GOSISDBHSA-N 460.386 5.204 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O 799219707 WXBYYOLJHLXLBG-INIZCTEOSA-N 473.879 5.310 30 20 JKED COc1cccc(O)c1C=Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 812389390 HPPLIHCPNGJEAZ-UHFFFAOYSA-N 451.331 5.259 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cccs3)C2=O)c1 837301915 PYHPDMRDMKWCAU-OAQYLSRUSA-N 465.600 5.226 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1F 837302059 QVZJIEYNDIYFOG-IBGZPJMESA-N 475.517 5.326 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1C 837403108 ATPHCYAKWDARPM-FDDCHVKYSA-N 476.577 5.559 30 20 JKED N#Cc1ccc(N2CCC(c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)CC2)c(F)c1 904489013 BMOWHILHXHSDON-UHFFFAOYSA-N 478.531 5.529 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915104080 JTSDEZMLIPYNDN-OAHLLOKOSA-N 486.500 5.443 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2Cl)cc1 915107344 QVMPQUOWLSQYAP-INIZCTEOSA-N 453.880 5.437 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1C 916206998 WJICZCMJCALKPW-OAQYLSRUSA-N 474.026 5.262 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2C(F)(F)F)NC1=O)Nc1ccc(Cl)c(Cl)c1 916232960 WTMLCWSCYQBUEJ-AWEZNQCLSA-N 462.280 5.260 30 20 JKED O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NN=Cc1c(Cl)cccc1Cl 916256391 VANLNOLDPCOBFQ-UHFFFAOYSA-N 465.318 5.148 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1 916720335 IVLTVJCSINKZNW-VWLOTQADSA-N 481.600 5.103 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(SC(F)F)cc1 916885667 ACKMQTNLIDPEFH-JQYPEGPJSA-N 472.513 6.230 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(SC(F)F)cc1 916885669 ACKMQTNLIDPEFH-ZMOVQZPESA-N 472.513 6.230 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1 916900157 NBKKWJRPJUSXRX-AWEZNQCLSA-N 453.753 5.634 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 916910658 YALREDUJDBFZNY-QFIPXVFZSA-N 471.532 5.472 30 20 JKED N#C[C@H](C(=O)CCCOc1cccc(Br)c1)C(=O)Nc1cccc2ccccc12 916916872 BCTSNIKBIINTHV-HXUWFJFHSA-N 451.320 5.109 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 916948040 RDRWOTUYCGQYQK-HNAYVOBHSA-N 479.989 6.128 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)cc1 916949961 QVVDXFRZFPZFEK-UTKZUKDTSA-N 469.570 5.470 30 20 JKED N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917043901 QTKPPTUIWLARFN-AWEZNQCLSA-N 459.518 6.514 30 20 JKED C#CCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 917503791 YTGNEAXLMRVTJS-FQEVSTJZSA-N 470.476 5.046 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cs1 917560126 HKZMFKHTYHDFEG-DHZHZOJOSA-N 450.869 6.396 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2ccc(C)cc2)C=C1 917606887 HXJTVXFBUZFMEE-UHFFFAOYSA-O 475.634 6.065 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917671101 LBYSOPCDWSANTH-CUYJMHBOSA-N 490.673 5.199 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC)cc3)N(Cc3ccsc3)C2=O)cc1 917685073 SKWIVFUWUXDKNU-QFIPXVFZSA-N 495.626 5.316 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C#N 917701681 AJCUQVBSUAYKNV-GOSISDBHSA-N 475.401 5.481 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(COc3ccccc3)n2)cc1 918710721 AFJISVUDWXVQQA-UHFFFAOYSA-N 465.604 5.187 30 20 JKED COc1ccccc1OCc1ccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 919342777 BASRPYZHXVHDEO-MRXNPFEDSA-N 494.569 5.253 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)n(C2CCCCC2)c1C 919372922 IGFCKKYEZFJAKX-UHFFFAOYSA-N 465.598 5.106 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)c1 919667584 ZAZHRFSVFDRERJ-VWLOTQADSA-N 485.547 5.416 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccc(F)c(F)c2)C1=O 920353081 AIIMMAYEQHHZBX-HSZRJFAPSA-N 495.551 5.442 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1c(C)noc1C 920354725 FNFXCPFAEIBRRH-HSZRJFAPSA-N 492.601 5.077 30 20 JKED CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnc3ccccc3c2=O)cc1 920751946 SUXWEKBQNSNHPL-UHFFFAOYSA-N 463.541 5.166 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c3c(C)noc3n2)c(C)o1 928672804 UWOOISSOYBDJCR-KRWDZBQOSA-N 490.491 5.039 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C5CC5)on4)cc3)CCC2)cc(C(F)(F)F)c1 1785967698 AUXQJJPACMBOCE-UHFFFAOYSA-N 494.473 5.504 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)Cc4cccc5ncccc45)cc3)CCC2)c1 1786345794 OIEJWNCSXFZSGE-UHFFFAOYSA-N 478.527 5.236 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1 1786374956 FIMIWMYJWOGGAN-HNNXBMFYSA-N 464.459 5.183 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)CCC2)cc1 1787888517 UPLZZXRMPDZFPS-UHFFFAOYSA-N 499.468 5.082 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)c(C(F)(F)F)o1 1788612939 CVPXSZSNGPPOQQ-UHFFFAOYSA-N 496.489 5.254 30 20 JKED Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](S)C(C)C)CCC2)cc1 1788684136 CYYWBFWDRLCORE-FQEVSTJZSA-N 480.659 5.216 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCn3c(O)nc4ccccc43)CCC2)cc1 1789456084 KHACNVUKCXMBFY-QHCPKHFHSA-N 486.616 5.425 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CS[C@@H]4CCCCO4)cc3)CCC2)c1 1789549249 FQMDVZOEIGPPHA-UQBPGWFLSA-N 477.630 5.321 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c3CCc3ncccc3-4)CCC2)cc1 1789626410 MNTDWSXFHRTXJB-UHFFFAOYSA-N 483.616 5.310 30 20 JKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c1 1790340213 NBQDIHMAXDOWMO-BUHFOSPRSA-N 474.582 5.334 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5s4)CCC3)cc2)cc1 1790707645 NZEFXCKPZQRHBM-UHFFFAOYSA-N 466.566 5.424 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790947043 VWBLMACLYLUKTG-AREMUKBSSA-N 497.595 5.749 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CCC2)cc1 1791579597 YMWLQBFANIXFGW-KRWDZBQOSA-N 470.598 5.296 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4cccc(Br)c34)CCC2)cc1 1791588785 WZJMHGRPMBEBHY-UHFFFAOYSA-N 466.379 5.183 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3cnc(C)s3)CCC2)cc1)c1ccc(O)cc1 1791645486 HFOQQGQJYQUWCQ-NRFANRHFSA-N 487.625 5.031 30 20 JKED Cc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)n1 1792122853 YZKCHKIDYUCNKA-DAMWEWLOSA-N 464.569 5.478 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4C(F)(F)F)CCC3)cc2)c1 1792125356 WKOOVEHSWNHQMY-KRWDZBQOSA-N 492.501 5.789 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1 1800793307 GWTLYIUSEPUDRJ-OWLYRPNTSA-N 453.410 5.245 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 1801534564 QWHGRKAXTIWWCS-ZFFYZDHPSA-N 482.546 5.083 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OCc3ccccc3)c(OC)cc1C)C2 1801696682 UYFZNYUGIAOLPQ-KOUNCHBCSA-N 498.570 5.046 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)[C@H]1c1cccnc1 1802492421 PXDQDCCYKWWNCG-AMGIVPHBSA-N 472.633 5.112 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1802503403 TXQYSCZWARBDOW-BVAGGSTKSA-N 488.632 5.052 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Br)cccc1-c1ccccc1)C2 1802629865 VMIOFFHANLWMEK-KOUNCHBCSA-N 493.445 5.562 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1803081875 IYINLSDOFOAOQO-RCZVLFRGSA-N 485.550 5.117 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C1)c1ccccc1 1809154742 QNCRZUQBFXZUIW-NEKDWFFYSA-N 471.645 5.162 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1810168170 FQSZTHWAKCEMOT-CEDXOUEASA-N 468.601 5.051 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810271285 FNEJKDSBILTJSY-FBILRYNDSA-N 469.746 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1810489808 OFCRUNCPSQASFG-SIKLNZKXSA-N 489.538 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Br)cs2)[C@H]1c1cccnc1 1810500525 RPOTYPZXUBENAR-XLIONFOSSA-N 490.467 5.218 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)c(Cl)c2)[C@@H]1c1cccnc1 1810854977 ZYFFKGPTBKNPPL-KLHJMIIUSA-N 490.829 5.029 30 20 JKED Cc1cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)ccc2[nH]1 1812277235 IOYNEUGLXYFBHL-LVXARBLLSA-N 497.986 5.030 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812514783 LCESZBUGGATHLY-XSBVVTFOSA-N 498.067 5.163 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1812803636 DFYFFKBGJXAJAV-GGXMVOPNSA-N 488.676 5.588 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813226866 VKEOPKCRYCYPBS-WMZHIEFXSA-N 491.941 5.267 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c1 1813869095 XHXDDEZSYBXXMT-IUBQTAPSSA-N 490.966 5.135 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)[nH]n1 1814441871 TZWRSMMPUJEOTB-FQEVSTJZSA-N 483.016 5.167 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)c1 1814569865 KORJNAGJVUYMPA-LJQANCHMSA-N 486.414 5.151 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc3ccccc3n2C)n[nH]1 1814725570 IKZATDZNURBVMK-QHCPKHFHSA-N 461.610 5.129 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817745186 WKGAKERLLNNHFJ-XMMPIXPASA-N 487.604 5.069 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606716 BKVZSKDIYJYHTR-FUHWJXTLSA-N 487.025 5.157 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)n[nH]1 1818869032 PZUMCVJLHAUGRF-TUNNFDKTSA-N 452.986 5.053 30 20 JKED CCC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)n1cccc1 1820219422 RVPMNYAAZKTECA-RTWAWAEBSA-N 478.984 5.084 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[nH]n2)c1 1820307262 WYBOTVHPBOTQNE-HXUWFJFHSA-N 488.935 5.143 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)c1 1820506635 JHBYLHPJOCZNPQ-NRFANRHFSA-N 498.370 5.216 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)cc1 1820527197 XFZKWQBLMLZDLB-NRFANRHFSA-N 481.478 5.114 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)[nH]n2)cc1 1821177270 XLPWLFXHPZFMFO-QHCPKHFHSA-N 486.963 5.230 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)cc2c1 1821278194 OWWIJBIHLMJYJL-QHCPKHFHSA-N 486.963 5.344 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821417418 YOVJEFOCLPOSNX-DEOSSOPVSA-N 487.680 5.315 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)cc2c1 1823215599 XMWNXKNDWQOLDG-CJAUYULYSA-N 480.572 5.446 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cccc1C(F)(F)F 1823290550 WGWSHPOBWPQROR-NRFANRHFSA-N 481.478 5.228 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C)c4ccccc34)n[nH]2)C1 1823602832 MBJUDBCUYCFILY-RUZDIDTESA-N 456.590 5.462 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1 1823683224 JBBKMECSDZIQSZ-VWLOTQADSA-N 481.999 5.217 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC(F)(F)F)cc3Cl)CC2)C1 1823701811 DOTQQJMRYQAYFZ-QFIPXVFZSA-N 498.973 5.481 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1824142007 CIOBIMCCAQNURX-VWLOTQADSA-N 469.576 5.448 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1824453015 KKDUGQVHEGUBJO-POBVQFHHSA-N 499.655 5.359 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825422431 IBCVGOWDTXDMJY-RUZDIDTESA-N 465.663 5.143 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSc3ccccc3)CC2)c(Cl)c1 1826520555 CIXWNOBDKBMJFN-DEOSSOPVSA-N 482.049 5.237 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1826693648 LYKCYTTWHQAUML-VPUSJEBWSA-N 479.571 5.422 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(N(C)C)c4ccccc34)CC2)C1 1828167493 FQQKCTRKDKVWGS-AREMUKBSSA-N 459.634 5.105 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)CC1 1828230752 IHVVJMGEEUVNFP-HHHXNRCGSA-N 459.634 5.545 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828607097 YZJSJQFIRVFVPC-JOCHJYFZSA-N 454.611 5.467 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828745587 SEADJOYDNGHTJE-GBXCKJPGSA-N 468.041 5.823 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1828827677 RFYLWUKMWIWTIW-UIOOFZCWSA-N 493.648 5.035 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1828830430 VKQQSNJLOJCWGZ-RSXGOPAZSA-N 482.640 5.616 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)CC1 1828984285 MSZRFOHIEKKPBN-AHKZPQOWSA-N 465.682 5.494 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)F)no2)CC1)c1ccccc1 1829032867 OCMHOICWAYWQRV-JTHBVZDNSA-N 483.559 5.043 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccn2)CC1)c1ccccc1 1829203858 JVUWQIFGSANSEG-AOYPEHQESA-N 478.036 5.166 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2Cl)CC1)c1ccccc1 1829217174 XDMZJBSHHCGJKA-ZEQKJWHPSA-N 478.036 5.166 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)cc3)CC2)cc(C(F)(F)F)c1 1830021917 VQAJXVZJEYPXGM-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1830151771 ARUPHKPRSXVFSC-SQJMNOBHSA-N 483.056 5.147 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2)CC1 1830358300 KZBMICAHVZBOOJ-RPBOFIJWSA-N 497.680 5.088 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830441258 QNIMQRPFDXTQOB-KBMIEXCESA-N 456.602 5.060 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1F 1830570714 YAAAVHXFWBKHLL-FNZWTVRRSA-N 461.581 5.308 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830708288 RCGVWDVGFCQXLJ-VWLOTQADSA-N 461.631 5.126 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1830770694 GIASTXQDPFXWCG-AREMUKBSSA-N 482.584 5.069 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830805093 VRYKKWPWYFOSQX-VGOFRKELSA-N 466.544 5.160 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C(Cl)(Cl)Cl)CC1 1831493491 ISNOYGQHHKDKAK-GOSISDBHSA-N 479.952 5.027 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1832092825 XWBJNWPFCTZUFL-QHCPKHFHSA-N 493.614 5.645 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564041 GFLJDUQGWZEDIS-SFTDATJTSA-N 481.464 5.108 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)ccc(F)c1F 1832615796 DGFDPNJPXMYFJS-RUZDIDTESA-N 479.571 5.011 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3O)CC2)c1 1832634168 PBBXNRUJWFRHOZ-DFBJGRDBSA-N 485.584 5.313 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 1832634464 MGAKXRXVTNCXGU-FNZWTVRRSA-N 478.036 5.443 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCC2)CC1)NC(=O)OC(C)(C)C 1832752977 OTCYOQVTDRMKCH-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1835683203 RDTKRUAMSDYKPF-XMMPIXPASA-N 499.655 5.540 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)/C=C/C3CCCCC3)CC2)CC1)c1ccccc1 1838416955 ZFLCDAIGTGNENH-WYJAOCDSSA-N 490.688 5.319 30 20 JKED CCCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)CC2)cc1 1838535582 PVNFXFIAKCUIIH-UHFFFAOYSA-N 494.035 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1844202772 ZTNDMPPRJFETSP-NFBKMPQASA-N 481.637 5.109 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C2 1844203946 VIOZNBZBHNTEAH-INIZCTEOSA-N 485.344 5.053 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)c1 1846828363 HGBSVRJWTWETOW-IBGZPJMESA-N 478.552 5.186 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836199 QDVGQYHOAQVILL-UHFFFAOYSA-O 464.825 6.548 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(F)cc1F 11247705 VONARDZHJPXDLK-UHFFFAOYSA-O 466.360 6.172 30 20 JKED CCc1cccc(CC)c1NC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cccc(C#N)c1 11549830 MAWKGURYLHKHCR-AREMUKBSSA-N 466.610 5.252 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)sc2c1CCCCC2 14062070 DIALHUKOQNFYHK-OAHLLOKOSA-N 499.687 5.118 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1F 14872311 PKNBRWJIFXAKEC-UHFFFAOYSA-O 456.006 6.423 30 20 JKED O=C(C[C@H]1S/C(=N\c2cccc(Br)c2)NC1=O)Nc1ccc(SC(F)F)cc1 16938683 CPZJGXZSQVGUQU-CQSZACIVSA-N 486.363 5.012 30 20 JKED COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(CC#N)cc2)CCC(=O)N1c1ccc(C)cc1 17368432 GQRNLQSASARKRC-SQHAQQRYSA-N 453.542 5.193 30 20 JKED C=CCNC(=S)N(Cc1cccs1)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 18162337 OGQKNSOEZLCZAD-UHFFFAOYSA-N 462.688 5.137 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n1 18802207 ICQNHPKIVGKYTD-GOSISDBHSA-N 459.552 5.275 30 20 JKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 21458723 KFWDGYRAKPSDPI-HCMPGTLISA-N 495.579 5.086 30 20 JKED C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 23284839 MMQXPUYWXYEKIW-QGZVFWFLSA-N 477.590 5.562 30 20 JKED C=CCn1c(C)nnc1SCC(=O)c1cc(C)n(C(c2ccccc2)c2ccccc2)c1C 23534098 YKLKNTZROZTLLL-UHFFFAOYSA-N 456.615 5.804 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)N(C)Cc4cccc(C#N)c4)sc3[nH]2)c1 32461171 KRZNWWDWBSBEBX-UHFFFAOYSA-N 488.638 5.346 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 32614720 XKIIAPNYYUWRGD-UHFFFAOYSA-N 461.447 5.097 30 20 JKED CCOc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])cc1OC 107659149 MWQAZSUFORELFX-IBGZPJMESA-N 465.893 5.563 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1nc(-c2ccccc2)cs1 115381969 MRDFACXXQIBBMX-HXUWFJFHSA-N 498.593 5.073 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1cccnc1 302705896 YOPUCXBDZSEMRO-CYBMUJFWSA-N 484.557 5.047 30 20 JKED C[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@@H](c2ccccc2)O1 303204490 PBWAIHKOJDDHTL-BVZFJXPGSA-N 461.949 5.785 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(COc4ccc(Br)cc4)o3)CC2)c1 303293216 XIZLLIMWWGAZKJ-UHFFFAOYSA-N 481.346 5.176 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCN(Cc4ccccc4)CC3)cc2F)c1 481599796 UAOGOAFBYGEVJP-UHFFFAOYSA-N 458.537 5.016 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cn2)c1 481630575 TZZWJEPKSFLDAJ-UHFFFAOYSA-N 498.514 5.794 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCCc3nc4ccccc4[nH]3)s2)c(C(F)(F)F)c1 487384390 HHLDSMAJXMZISX-UHFFFAOYSA-N 469.492 5.462 30 20 JKED C[C@@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)C(=O)N(C)CCC#N 501583970 ZSXACCLZYJANPI-OAHLLOKOSA-N 480.640 5.028 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)s2)cc1 503092368 XLXUZTAIBZOYET-UHFFFAOYSA-N 470.892 5.030 30 20 JKED O=C(N[C@H]1CCc2cc(F)ccc21)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503363446 BICMUBQBFOFLIJ-HNNXBMFYSA-N 492.782 5.515 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(Br)s3)c2)cc1 504836215 BSPQVLXEVJMFNE-UHFFFAOYSA-N 456.365 5.477 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 509261143 ALRWYWRBANNTLF-OAQYLSRUSA-N 494.378 5.630 30 20 JKED CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)[C@@H](C)c1ccc(C#N)cc1 509583043 JKQPJZHYQNIFTE-INIZCTEOSA-N 455.389 5.820 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCCC3)nc2)cc1Cl 510044876 MTEBYTVXSHDEJP-HSZRJFAPSA-N 459.981 5.702 30 20 JKED CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N1CCc2ccccc2C1 511374141 VXZCMOAVPORERG-UHFFFAOYSA-N 468.601 5.290 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)c2)c1 511467757 YYUIQHOIPOAFKA-UHFFFAOYSA-N 487.991 5.204 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cn1 513173522 ZMYOOJWJRSANMN-MRXNPFEDSA-N 461.783 5.944 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 515962538 PRWJTKACQBCDIM-VWLOTQADSA-N 484.556 5.145 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516014736 ZODOUAFTGXECHQ-HTAPYJJXSA-N 471.944 5.900 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 516695141 ZNTPITJPFWJTPE-HSZRJFAPSA-N 453.011 5.136 30 20 JKED C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F)c1ccc(C#N)cc1 516836988 MKEHJSWJCXZWRJ-QRQCRPRQSA-N 452.327 5.610 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 517131524 MUWWDHQRBGBQDE-UHFFFAOYSA-N 489.620 5.074 30 20 JKED CCN1C/C(=C\c2cccc(OCc3ccccc3C#N)c2)c2nc3ccccc3c(C(=O)O)c2C1 518245792 IHHNWMUJFFEPIQ-OEAKJJBVSA-N 475.548 5.760 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1 518259895 RUMJMWFDJRIDOI-YJBOKZPZSA-N 463.525 5.696 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 518809663 CABZIKRSDTXWCQ-UHFFFAOYSA-N 460.574 5.468 30 20 JKED N#Cc1ccc(-n2c(SCc3csc(-c4ccsc4)n3)nc3ccccc3c2=O)cc1 520014667 MJINCZZQCRKFLR-UHFFFAOYSA-N 458.593 5.735 30 20 JKED CN(CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1)Cc1ccc(C#N)cc1 549944247 ZSAFJYIZYHTJFA-UHFFFAOYSA-N 470.573 5.486 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 588712431 OIEJEVZOOVLWLN-SANMLTNESA-N 489.019 5.195 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2C)c1 589553116 VEPDVRHJKZNADR-UHFFFAOYSA-N 466.559 5.012 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccccc3Cl)n2C2CCCC2)sc2c1CCC2 589896826 QXGWSJJRJXPLQE-UHFFFAOYSA-N 498.077 6.256 30 20 JKED C=CCN(C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 596361413 WDNZLKQRCAXNNG-ISJBWFOZSA-N 474.609 5.539 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 603738437 CATUBIXDNHFCFF-UHFFFAOYSA-N 484.585 5.291 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 603801419 XQYIKVLPAFYOAL-VWNXMTODSA-N 477.948 5.430 30 20 JKED CC(C)c1ccc([C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2cccs2)cc1 603801635 DHWVJLAAXHNUBM-QHCPKHFHSA-N 475.618 5.230 30 20 JKED Cc1nn(-c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)c(C)c1Br 603972284 FXCKSZJRCKFOMX-UHFFFAOYSA-N 453.340 5.187 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604084700 DAPFCXAEMKQMCM-UHFFFAOYSA-N 489.630 5.189 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(CN3CCCCCC3)CC2)cc1Cl 604212931 BILOXVOLYZSIFE-VWLOTQADSA-N 493.051 5.049 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1sc(C)nc1-c1ccccc1 604538748 NSSYANNKZFGJDM-UHFFFAOYSA-N 472.364 5.169 30 20 JKED CC(C)N(CCC#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 608814018 RTTKSHCXIYTUFK-UHFFFAOYSA-N 496.032 5.500 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cc(C#N)ccc1OC(F)F 609067015 QXZOBVIYFZUQEU-UHFFFAOYSA-N 461.877 5.688 30 20 JKED CCOC(=O)C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(F)cc1 609078781 NPBGCXJWIISQSI-VWLOTQADSA-N 475.520 5.401 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)oc12 609084688 BAZPHPDPIVIIRJ-IBGZPJMESA-N 497.551 5.407 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3cccs3)cc2Cl)c1 609086266 AMVFAQQOLMDOHT-HXUWFJFHSA-N 465.962 5.154 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccccc4S[C@H](C)CC#N)c23)cc1 609370559 DHLVWCGOXITHTN-QGZVFWFLSA-N 490.679 6.792 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccccc1 609371537 NHTUJYHLTLURHY-ROUUACIJSA-N 465.648 6.041 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 609401546 VTSRJXSAOZLKCF-YCRPNKLZSA-N 470.019 5.498 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 609403487 AABBOCGRYAXAQQ-VFNWGFHPSA-N 470.019 5.498 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 609434623 CWTIUQBOAZIUHG-GOSISDBHSA-N 495.649 5.693 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 613407063 GZOGLGIFPNKRNL-ZDUSSCGKSA-N 464.831 5.783 30 20 JKED O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620347419 MIVFDFUODWHYDO-CHWSQXEVSA-N 488.354 5.163 30 20 JKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642157800 KVVGJBYGUWHXPQ-QWRGUYRKSA-N 470.360 5.578 30 20 JKED O=c1c2ccccc2nc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 725859887 RTCJFRCVOIJYGR-UHFFFAOYSA-N 457.946 5.074 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 726397226 HGRAROZWZPXDGT-NZQKXSOJSA-N 467.635 5.306 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cc(C)c(C)cc1C 726570953 ASVUKPYKJJKNSF-UHFFFAOYSA-O 463.026 6.310 30 20 JKED CCc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccc(OCCCC#N)c3)s2)cc1 726744215 XHYKOPHNUFKVHS-HKWRFOASSA-N 452.967 5.772 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c12 727918623 MPAGWJJBNFSETN-UHFFFAOYSA-N 476.514 5.017 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)cc2Cl)c1 728000360 ZVVFDSDVEPBXAZ-UHFFFAOYSA-N 494.338 5.691 30 20 JKED N#CC(CCOC(=O)C[C@H](c1ccccc1)N1CCOC1=O)(c1ccccc1)c1ccccc1 728380486 OFOBJVMEOGVQLG-RUZDIDTESA-N 454.526 5.013 30 20 JKED C=CCN(C(=O)COC(=O)c1cc(N)nc(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 728627749 BACBYFBSMGIEES-UHFFFAOYSA-N 497.791 5.124 30 20 JKED CCCC1C/C(=C/c2nccn2CC(F)(F)F)C(=O)/C(=C\c2nccn2CC(F)(F)F)C1 728694960 NYPUWJSCOVQGPT-XCMCHEKJSA-N 460.422 5.450 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1C 728777101 YUYMYRAYEXMNDN-QFIPXVFZSA-N 483.037 5.919 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728780370 RWGAWEYCMXGGDK-NRFANRHFSA-N 497.552 5.005 30 20 JKED C#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 728800864 GRDFERUNKAYCQV-KRWDZBQOSA-N 458.370 5.319 30 20 JKED N#Cc1ccc(OC2CCN(Cn3nc(-c4ccco4)n(C4CCCCC4)c3=S)CC2)cc1 728902865 BZTCUWXWBOHANV-UHFFFAOYSA-N 463.607 5.552 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)cc1Cl 730463492 YETDFNQXSUOCIB-IBGZPJMESA-N 479.936 5.140 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 730474287 LHIZXMDMXGGGIH-AUSIDOKSSA-N 478.639 5.645 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1 730491622 GXJMGBBINYMYNQ-UHFFFAOYSA-N 477.492 6.098 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1C 730711588 FNOSQBMKFYCMSN-DEOSSOPVSA-N 484.581 5.605 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(F)c2)c(C)s1 730719031 VHFWYCGFFBIBDE-YWZLYKJASA-N 497.621 5.324 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)cc1 730719878 KKWYZMSKTMARJW-DEOSSOPVSA-N 484.581 5.551 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cocn2)C1=O)Nc1ccc(F)c(Cl)c1 730728246 ZTULNYQOCCFIJH-OAQYLSRUSA-N 498.967 5.116 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)cc1Cl 730944161 RPHFWMCSDDEEGR-AOMKIAJQSA-N 495.004 5.465 30 20 JKED N#CCCSc1ccccc1N/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 730996116 NMDTXGHPXPHYHS-MNDPQUGUSA-N 459.958 5.986 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cccc(C)n3)C2=O)cc1 743525365 PTNJGFIUIRCNTG-QHCPKHFHSA-N 476.577 5.306 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 744780589 OVPIRHPSEQATAN-UHFFFAOYSA-N 464.569 6.224 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746661080 XNSJISRVQLTSSS-HFZDXXHNSA-N 451.595 7.199 30 20 JKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CCC3)cn1 747434281 ASDJVMNZGHAVIF-NBVRZTHBSA-N 453.933 5.737 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cscn3)C2=O)c1 747600552 BQTVAJKMGHOOOM-QFIPXVFZSA-N 494.642 5.436 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c1 747601485 VINOESOTRCGDLM-NRFANRHFSA-N 478.643 5.271 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 749361400 ZPDNFAKUJCVOHU-XMMPIXPASA-N 482.971 5.337 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@H](COCC(C)C)c2ccco2)C1=O 750911751 REGVDBXGAXLJDA-MJGOQNOKSA-N 498.432 5.068 30 20 JKED CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1c(F)c(F)c(F)c(F)c1F 765846398 XKSGOPBTDKFXDE-SNVBAGLBSA-N 454.361 5.640 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1C 837299424 HWIUFCHSYYOTDN-SBUREZEXSA-N 494.567 5.698 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@H](C)c2ccccn2)C1=O 837300277 BSVGHZSXVOZLQO-ZHRRBRCNSA-N 496.995 5.904 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccc(F)cc2)cn1 837779678 KDNHAGLERDFTPD-QFIPXVFZSA-N 492.576 5.007 30 20 JKED COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1 857503443 HLZLTXMUQOBEOD-LJQANCHMSA-N 463.349 5.079 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 904706644 VFYUUVWCAULAQD-IBGZPJMESA-N 471.989 5.225 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@H](C)C(C)C)ccc1Cl 914777926 KRZXSHZTNQTASM-GOSISDBHSA-N 461.027 5.370 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccco2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102673 CNHBUIBXEYCCEQ-WSFXZPRGSA-N 492.626 5.332 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)[C@H]1c1ccccc1OC 915104164 MIOSSNBWWLRHJA-XLNZFTOWSA-N 494.542 5.396 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)c2)c1 915284090 XDTGVLQJDMSMSM-UHFFFAOYSA-N 492.560 5.214 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 915424005 MSVUGVQUNNTPTM-HHHXNRCGSA-N 465.553 5.133 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 916205773 LMOJZSFUFIZLRZ-QGZVFWFLSA-N 453.461 5.215 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O 916211688 OJFWEJMEUHGFKZ-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)cc1 916212991 VWOSIJRQVIYFHP-GOSISDBHSA-N 460.397 5.128 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 916309849 NOXDYVVFIGGDAA-UHFFFAOYSA-N 462.987 6.093 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(C4SCCCS4)cc3)c2)cc1 916449742 KSNKYRSBGBKOMY-UHFFFAOYSA-N 460.624 6.453 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)cc1 916679269 MEASDCBSFJWIOF-LJAQVGFWSA-N 481.644 5.062 30 20 JKED N#C[C@@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1ccc(Cl)cc1 916884309 AKWLKOPLQZQFJC-KRWDZBQOSA-N 478.986 5.451 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 916902809 JZHUCKXRMHSHPS-GOSISDBHSA-N 493.922 5.318 30 20 JKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1 916909696 OKBZQIDZISNERO-SFHVURJKSA-N 452.967 5.089 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(F)c(Cl)c1 916939539 PLAQPPFEJRTLRY-CQSZACIVSA-N 480.710 5.721 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 916956108 XUMYMAAEMCJRNK-FTRWYGJKSA-N 490.629 5.315 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SC[C@@H](O)c1cccc(C(F)(F)F)c1 916981056 MSPXEUUXKNYKAT-QGZVFWFLSA-N 453.461 5.027 30 20 JKED CCSc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(C)nc3sccc3c2=O)cc1 917580469 JUSHPYDRSCUJBQ-UHFFFAOYSA-N 471.611 5.613 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCN3CCC[C@H]3C2)C1=O)Nc1ccc2ccccc2c1 917673641 DXNRZUGLGXIEOC-NXCFDTQHSA-N 498.652 5.427 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3Cl)SC2=Nc2ccccc2)n1 917675484 KWLPRGYNANDRMW-FQEVSTJZSA-N 499.423 5.857 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 917704639 WDSPSMVLTSHOJV-JOCHJYFZSA-N 474.973 5.372 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 918554001 HVPJPDRAYGMTDW-HNNXBMFYSA-N 486.391 5.151 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CCCC)CC(F)(F)F)ccc1Cl 918608102 CKAMRLLDQVSKPF-UHFFFAOYSA-N 488.959 5.526 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 919681367 GRMOWBAMAPONFH-CQSZACIVSA-N 466.881 5.306 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1 919904320 GRLBBQCJVZXGLZ-OAQYLSRUSA-N 485.385 6.176 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 920102442 SPYJNDKZGYNOSN-HOCLYGCPSA-N 478.599 5.017 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c1C 920353859 UXXSKLQSDNPVBU-JOCHJYFZSA-N 480.565 5.208 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)cc1 921249326 ZIOLDVAJAMDEAW-PYCFMQQDSA-N 473.532 5.583 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CSC4CCCC4)CCC3)cc2)cc1 1785794892 HIHFAQXLGUWZIV-UHFFFAOYSA-N 461.631 5.301 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(F)c3)CCC2)cc1 1786371116 HADIGPGPRRIFDY-IBGZPJMESA-N 473.548 5.227 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CN3CCc4sccc4C3)cc2)CCC1 1786729060 FSVMWWFLRLYNPJ-HSZRJFAPSA-N 463.647 5.009 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(N)c(Br)cc3C)cc2)CCC1 1787950024 XIBVLALGUXNEHX-UHFFFAOYSA-N 488.451 5.007 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)cc3)CCC2)cc1 1787950262 UIUJQBSKABTSBW-RZDMPUFOSA-N 490.607 5.684 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1788789549 FKFNFFALTYMSPP-UHFFFAOYSA-N 481.474 5.734 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccnn4-c4ccccc4)cc3)CCC2)c1 1788869297 LQXSCIMVLQAEAK-UHFFFAOYSA-N 489.579 5.124 30 20 JKED CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1790178825 LALXVGZSJZBEGO-UHFFFAOYSA-N 487.579 5.028 30 20 JKED CCSc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1 1790210128 DDAANTVNBHFHDQ-UHFFFAOYSA-N 496.596 5.003 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@H](c3ccccc3)C(C)C)CCC2)cc1 1790510391 OIIFORZKRBBGOV-VWLOTQADSA-N 462.590 5.070 30 20 JKED COC(=O)Nc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)c1 1790586726 FWSJBSRALIITBD-UHFFFAOYSA-N 496.567 5.117 30 20 JKED Cc1cc(Br)ccc1C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1790630100 SQESKWDACFDEQL-JFLMPSFJSA-N 494.389 5.217 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CCC2)cc1 1791251329 CGUYIZJGLHDQOK-WIYYLYMNSA-N 457.615 5.026 30 20 JKED Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)c1Cl 1800744192 LGBZWVATASAZSE-REPLKXPHSA-N 475.898 5.105 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[C@@H]1c1cccnc1 1802358594 QGYIMVNCKHTIHP-DHLKQENFSA-N 472.589 5.049 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1802495388 LAHAEJVGHBZHLR-UNMCSNQZSA-N 473.539 5.412 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1803084488 QSGXWCIBVXEANX-GBXCKJPGSA-N 494.060 6.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1803217862 HLBUIIMOFHULHD-CYXNTTPDSA-N 461.650 5.520 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1803561424 HFSKQXUQOFSLMI-ABYGYWHVSA-N 499.611 5.176 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3nc4ccc(C)cc4s3)C2)CC1 1808826495 JMSZRYHFMNHVRM-FQEVSTJZSA-N 451.636 5.218 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C1)c1ccccc1 1809154728 QNCRZUQBFXZUIW-FIPFOOKPSA-N 471.645 5.162 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3cnccc3c2)[C@@H]1c1cccnc1 1809261951 DJKGMQYGUCBITG-XCZPVHLTSA-N 498.703 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1809551698 FROGNCOXGRMQCG-WUEDSLEZSA-N 480.052 5.537 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1810176238 VPDMPGBNQOPKKL-XUJYPJAKSA-N 459.634 5.296 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1810177879 IHDSQIGHLBAEHS-REHUZNOOSA-N 486.443 5.785 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1810178205 MYUIOBMHALKWHH-IXFSTUDKSA-N 473.951 5.101 30 20 JKED Cc1ccc(S/C=C/C(=O)NC[C@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)cc1 1810247516 UYVJMBLJOUNRDO-DFTGOERRSA-N 496.636 5.082 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)C2)CC1 1810440438 NRZRCQUPEASFAZ-NRFANRHFSA-N 470.617 5.287 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)[C@H]1c1cccnc1 1810503100 OCSCVJWQELVYRC-DHLKQENFSA-N 458.606 5.183 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)CC1 1811734409 XSOAUVUXRRDCFS-PAGNRNNLSA-N 476.596 5.018 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812508286 YDYFADZHEWZYBM-RCZVLFRGSA-N 485.550 5.117 30 20 JKED C[C@H](CC(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1ccccc1 1812732286 GIPJLGDMJKDQST-ZSOKXDGFSA-N 489.736 5.332 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)COc2ccccc2C#N)[C@@H]1c1cccnc1 1812806721 DTIOICIFYATJRC-RBJSKKJNSA-N 490.648 5.035 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)[nH]n1 1814444218 YNEFBYSUCLXFAJ-JOCHJYFZSA-N 482.625 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cnc3ccccc3c2)n[nH]1 1814728300 OQSFDONHPHNTMV-RCZVLFRGSA-N 471.605 5.351 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c1 1814739458 VQLKWSMHMGLPRQ-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1814826902 KBIXMRZRZZMAEK-IBGZPJMESA-N 484.025 5.747 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(-c3cccnc3)n2)n[nH]1 1818149591 GULYOQYWFPOUOL-RXVVDRJESA-N 476.606 5.003 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4cccc(Cl)c34)n[nH]2)cc1 1819224764 OENNNMAFAABSMP-OAQYLSRUSA-N 472.936 5.036 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)CC1 1819385365 SSIQMTQYQCQFJO-RBBKRZOGSA-N 454.691 5.199 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)ccc(Cl)c3F)n[nH]2)c1 1823273746 BDJRYMYQPHQYTB-IBGZPJMESA-N 483.906 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)CC1 1823667004 TXYKZCIYZPIFEJ-XMMPIXPASA-N 463.622 5.567 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)CC1 1823751936 DYAMNUWSURCBPM-DDKRZIBASA-N 466.691 5.486 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1824504247 NRXFRNAHWFXWHO-XXBNENTESA-N 485.024 5.424 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1824514626 SRXGMSQOLCPGRH-FIPFOOKPSA-N 476.661 5.292 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(Cl)ccc2F)CC1 1825363049 XHAYATKMKPCPHE-OAQYLSRUSA-N 492.111 5.159 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1826383505 YDEKHLGFNZHXHY-UIOOFZCWSA-N 480.649 5.046 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1 1828903613 CFZMDTIGGPPVCT-HXUWFJFHSA-N 479.162 5.686 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906655 ZHKGITOZXYBFFM-RFJJORBGSA-N 482.741 5.662 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2ccncc2)CC1)c1ccccc1 1829034831 FJBKBTOGAVSVPE-MHZHKKNFSA-N 485.672 5.077 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)cc1 1829180689 MDZPOTUXUWVNSO-JOCHJYFZSA-N 499.442 5.126 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C)CC1)NC(=O)OC(C)(C)C 1829946774 IIKCXRKARYMYHO-ILBGXUMGSA-N 497.680 5.088 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC=C(C)C)CC1)NC(=O)OC(C)(C)C 1830258858 KLLSMKOQTOUVNL-BJKOFHAPSA-N 489.701 5.212 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1830418325 UGJCANPPYVYEDO-KNQAVFIVSA-N 469.651 5.244 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3O)CC2)c1 1830955079 QXYPPGPHMKQXMS-DFBJGRDBSA-N 485.584 5.313 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1)C(F)(F)F 1830980611 URUUVPPEBRPBMA-LJQANCHMSA-N 464.553 5.562 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059376 LRWXYNWZWPZQOW-NLFFAJNJSA-N 474.601 5.410 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1 1832091194 LOXFZMVWQCIUPG-RUZDIDTESA-N 453.671 5.243 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c1 1832633833 OCLSWFHHTIWJCP-IQGLISFBSA-N 465.544 5.139 30 20 JKED COc1ccc(F)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635885 XTFFSUQOIJDBCT-DFBJGRDBSA-N 477.580 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832687651 DXUPLDASLOUCKN-GAJHUEQPSA-N 499.989 5.792 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1838055335 CYXQVBKCDXIAGJ-QFIPXVFZSA-N 498.067 5.510 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccccc2CC)c1C 10167627 KFQNZUYNINHPHH-UHFFFAOYSA-O 464.611 5.017 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1nc2ccccc2s1 10611223 AEUGNPLDGNSJBQ-UHFFFAOYSA-N 473.579 5.298 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccccc1Cl 10826148 NVIOOEGXXAPRNG-UHFFFAOYSA-O 464.825 6.548 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1F 11083144 MAXAKTZCZWPNQT-UHFFFAOYSA-O 461.626 6.475 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(Br)c2)cc1 11085040 ZGXHBDKJNKCKHH-UHFFFAOYSA-O 468.440 5.967 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(CO)c2)c(C)s1 11158134 KFOYPATZQYQLFQ-UHFFFAOYSA-O 465.542 5.214 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 15223259 XOEJBVLJEKXVGM-UHFFFAOYSA-N 451.555 5.245 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(OC)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22728437 CHILTZFYTCRRMH-UHFFFAOYSA-O 497.640 6.023 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1cccc(CO)c1)c1ccc(Cl)c(Cl)c1 24033715 QPLPGRNOWLZDRO-UHFFFAOYSA-O 466.797 5.478 30 20 JKED C=CCn1c(SC[C@H](O)Cn2c3ccccc3c3ccccc32)nnc1-c1ccccc1OC 26193297 SCLYVFHZOIHNRF-LJQANCHMSA-N 470.598 5.401 30 20 JKED CCOc1ccccc1NC(=O)[C@H](OC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccccc1 26196022 WDOXWXAMNRWOQO-XMMPIXPASA-N 469.497 5.186 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2cccc(C)c2)cc1 28793431 FTSPXNRNJJFXMI-UHFFFAOYSA-O 478.638 5.408 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)ccc2c1=O 29701754 QHSRZZMEZLSGNZ-QHCPKHFHSA-N 453.567 5.033 30 20 JKED C=CCn1c(SCc2cc(-c3ccc(F)cc3)no2)nnc1[C@@H]1COc2ccccc2O1 32324849 HCWIJSQUJVTDOV-NRFANRHFSA-N 450.495 5.063 30 20 JKED COCc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)sc2cccc(F)c12 108373315 FUHQMXOCCLCSRR-UHFFFAOYSA-N 460.530 6.084 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nnc1-c1ccccc1F 195568965 BGGBYLWCKGIDQX-UHFFFAOYSA-N 493.633 6.266 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(C)cc2OC)ccc1OCC(=O)Nc1ccccc1Cl 209439907 IJGTZTLGUZJCPI-XFXZXTDPSA-N 465.933 5.579 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N[C@@H](C)c1ccc2ccccc2c1 255931372 YVCNLGPGMHQSCL-SFHVURJKSA-N 493.032 5.819 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)ccc1OCc1ccccc1 302947930 JMUMCAFJSZOWDY-RIYZIHGNSA-N 454.526 5.483 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)cc2Cl)c1 303156214 GULAQUFDSYECQM-FQEVSTJZSA-N 459.933 5.320 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCNC(=O)c1ccc(Br)cc1 501149652 PONQIBLCIXGKEU-UHFFFAOYSA-N 494.364 5.122 30 20 JKED Cc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1NC(=O)c1ccccc1F 501461620 LQAZMSTZYDLQMC-UHFFFAOYSA-N 493.538 6.284 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c1C 501590795 CNHGFTGCNYRXGE-UHFFFAOYSA-N 473.627 5.652 30 20 JKED C=CCN(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 501912774 JHLCTUIKBJWRKW-UHFFFAOYSA-N 499.474 5.756 30 20 JKED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(CSc3ccccc3)cc2)cc1 503769099 ZQKKWNWLILLKGE-HSZRJFAPSA-N 459.596 5.004 30 20 JKED CC[C@@H](C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1 504313818 KDYCRBJMFLELHB-RTWAWAEBSA-N 461.635 5.960 30 20 JKED C=CCN(C(=O)C[C@H](CC)c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 504475156 ZCCJFEPUGASCLA-SFHVURJKSA-N 454.617 5.317 30 20 JKED CC(C)CCN(CCC#N)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 505182391 RLNDBYFVEQFDLA-CAPFRKAQSA-N 462.575 5.924 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccn(-c3cc(C)ccc3OC)n2)cc1 505625238 KBANJIWYKSWPNT-UHFFFAOYSA-N 454.486 5.114 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)cc1 508150021 VPEKSQMSVPWFJU-UHFFFAOYSA-N 492.579 5.614 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 508280907 QYGATESHYMDELH-SFHVURJKSA-N 470.529 5.369 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 509672209 UHNAOUSKGRXRHC-UHFFFAOYSA-N 457.555 5.317 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 511308738 VMWMJDKNAQGHNV-DEOSSOPVSA-N 460.603 5.352 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 512545274 MVWWHGWDEDNUHZ-UHFFFAOYSA-N 469.522 5.925 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1oc2ccccc2c1C 513010480 HLNGFGIWTIPLEE-GOSISDBHSA-N 453.498 5.530 30 20 JKED COCCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F 513871967 AJNHGKUVARDLKK-UHFFFAOYSA-N 451.473 5.096 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1)C(=O)Nc1cccc(C#N)c1 515486782 CCGJENJAZZLJCF-OALUTQOASA-N 453.571 5.545 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 515649805 ZTDUPGHCHWBHFQ-VXKWHMMOSA-N 469.585 5.193 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(Cn4ccnc4)c3)cc2Cl)cc1 515797964 RHOGBAKNHNYZEE-UHFFFAOYSA-N 457.921 5.570 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1nc(-c2ccccc2)cs1 516462256 QRNWXEQHGQBJSP-SFHVURJKSA-N 472.536 5.660 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Br)cc1 517522780 XVKSOTJKLSWJPX-LIRRHRJNSA-N 460.397 5.049 30 20 JKED CC(C)Oc1ccc(NS(=O)(=O)CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 517820037 ASDNRVFTUUQPSY-QHCPKHFHSA-N 498.004 5.163 30 20 JKED C=CCN(C(=O)c1ccc(C)c(S(C)(=O)=O)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 518173534 ZHRKYXNXWHTIPP-UHFFFAOYSA-N 488.634 6.022 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 518484869 IBTWCXAMQPHIDJ-XMMPIXPASA-N 480.008 5.140 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 519263082 SWAUASSBBGFBTR-UHFFFAOYSA-N 489.591 5.621 30 20 JKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(NC(=O)NC2CC2)cc1 520603379 FJHHWWYSWDWZML-QGZVFWFLSA-N 455.518 5.517 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)sc2nc(C(F)(F)F)ccc12 521258615 BKDUACPGFWTFKS-NSHDSACASA-N 479.455 6.515 30 20 JKED COc1ccc(CC[C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 521502239 YVHHLGPDZCYQJI-IBGZPJMESA-N 473.598 5.049 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2cccc(Br)c2)c1 521734479 PHVHANAIMYZJGF-UHFFFAOYSA-N 495.324 5.912 30 20 JKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1cccs1 522449752 MMADEZUCYHKYDY-XMMPIXPASA-N 477.586 5.653 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 523230502 DGXIEVZOFYBNEL-HXUWFJFHSA-N 461.506 5.683 30 20 JKED COc1ccc(-n2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)n2)cc1 524392788 FDUQIDUXHWFKQM-UHFFFAOYSA-N 458.905 5.237 30 20 JKED Cc1nc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)nn1-c1c(Cl)cccc1Cl 524512017 RLZTVFODRMRSBY-UHFFFAOYSA-N 455.330 5.130 30 20 JKED COc1ccc2cc(CNC(=O)C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccc2c1 561215689 SSJWZCHHMGZNOA-UHFFFAOYSA-N 487.503 5.128 30 20 JKED O=C(c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 589532142 BKRJUCHXWBPOFB-GOSISDBHSA-N 499.354 5.061 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccccc1OC 589941780 XGAQVZBRSSPHNK-OAHLLOKOSA-N 481.647 5.152 30 20 JKED C=CCn1c(SCc2nc(-c3ccoc3)no2)nc2scc(-c3cccs3)c2c1=O 591772263 AKVLYCOARZUAPO-UHFFFAOYSA-N 454.558 5.308 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 603601140 RJGBPFOFYXNNKB-UHFFFAOYSA-N 474.524 5.563 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NCCSCc1ccccc1C#N 603748010 UDMVXLZHONVPHQ-UHFFFAOYSA-N 469.998 5.117 30 20 JKED N#Cc1ccc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1Cl 603750762 GXMNIQGYHFBSPU-UHFFFAOYSA-N 468.738 5.408 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2)c1 603765750 XSMXRDYPUWRZTD-UHFFFAOYSA-N 494.507 5.024 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2C(F)(F)F)c1 603766752 WRTZGOXUQLGQEO-OAQYLSRUSA-N 494.904 6.761 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 603927071 OILIDXGOBGIZML-UHFFFAOYSA-N 497.393 5.105 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603960424 QZLIEGBFQGPQKP-UHFFFAOYSA-N 472.501 5.759 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cc2ccccc2o1 604133511 MSLBQGQXEQXCHF-IIBYNOLFSA-N 457.917 5.558 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1 609067208 XQJBOVSOGPRCCA-UHFFFAOYSA-N 452.442 5.240 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)s1 609079415 BMJPTFIXKOFOLM-UHFFFAOYSA-N 488.613 5.242 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)c2)cc1 609208525 PRRLWYWYJDAZME-HSZRJFAPSA-N 478.346 5.718 30 20 JKED CN(C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)c1ccc(C#N)cc1F 609216878 QITLWYDTHDZLTE-UHFFFAOYSA-N 496.386 5.686 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC1CCCC1 609404743 PWKJHZBOAYVRAP-QZTJIDSGSA-N 481.618 5.084 30 20 JKED C[C@@H](Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C)C(=O)Nc1ccccc1C#N 612646057 GNUFKRIYVXEXAU-CYBMUJFWSA-N 481.002 5.306 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1 613344343 IATNUQDMJLXCNU-QGZVFWFLSA-N 499.375 6.788 30 20 JKED COc1ccc([C@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2)cc1 619670505 WVGUVFLFIVOAGY-JTDSTZFVSA-N 478.408 5.696 30 20 JKED CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCCCC#N)n2C2CCCCCC2)c1 619864824 YHCXPPBCRBUMSB-UHFFFAOYSA-N 489.711 5.657 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccc(F)cc1)C1CCOCC1 622556142 UQTDOWSJLGMSOO-UHFFFAOYSA-N 479.392 5.450 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726402150 VVKSGIIIFNBZJR-UYAOXDASSA-N 463.525 5.170 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](c2ccccc2)C2CC2)cc1 726409462 BDVIQZPTGHTCHK-ILBGXUMGSA-N 477.630 5.225 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC(C)C)cc1 726415995 QFWGXYKJFAZCBN-XXBNENTESA-N 483.634 5.168 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1 726638008 SOABLYHTEPZJNP-UHFFFAOYSA-N 480.307 5.851 30 20 JKED CCCN1CCN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2Cl)CC1 727224027 DDSKOJNRTXMPKR-UHFFFAOYSA-N 454.018 5.186 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)NC(C)=O 728411632 KRIRTVGWSBERFG-GPUNBKOYSA-N 491.657 5.453 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2CCCCC#N)c1 728777943 ANVJPQMONGLEPR-OAQYLSRUSA-N 499.423 5.629 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)nn1-c1c(Cl)cccc1Cl 729069444 KNCMRFZVWDWBBF-GFCCVEGCSA-N 476.751 5.312 30 20 JKED N#CCOc1cccc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)c1 730436437 PEQXFZRFAULBDB-QINSGFPZSA-N 451.345 5.687 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCc3c(C)noc3C)C2=O)c1 730443361 DFTSYMJWAGJSTI-HSZRJFAPSA-N 494.592 5.250 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)c([N+](=O)[O-])c1 730461299 BESBKZRFRKKRAU-JOCHJYFZSA-N 496.589 5.203 30 20 JKED N#CCOc1cccc(NC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)c1 730477297 FHZIICLUVRKPNO-NRFANRHFSA-N 455.283 5.249 30 20 JKED N#CC(CCOC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)(c1ccccc1)c1ccccc1 730886733 SEAMSZGCYMRTPA-UHFFFAOYSA-N 492.913 5.915 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCOCC2CC2)C1=O 730943877 LYIVGPXWZXYQMA-NRFANRHFSA-N 472.010 5.035 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731312634 NQOKEBBCOAXUBO-JWQCQUIFSA-N 496.592 5.220 30 20 JKED C[C@H](CC#N)Sc1ccccc1N/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 731338484 AGSSDGRTQOSCSY-XUMLYMLNSA-N 473.985 6.374 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N([C@@H](C)c3ccccn3)C2=O)cc1 743526310 VIJGYFSGCSWYKE-FDDCHVKYSA-N 476.577 5.559 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1F 743526838 XEBCQSKUHZYRMM-KRWDZBQOSA-N 484.380 5.048 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C 746696374 MZOXFCMOZVTDMB-JOCHJYFZSA-N 453.608 5.080 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cc3ccccc3[nH]2)cc1 746698056 STAXWYVXIABKNM-RUZDIDTESA-N 498.608 5.015 30 20 JKED COc1cc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc(OC)c1OC 747154581 HWHCVHQLCDTDPA-MOSHPQCFSA-N 479.960 5.888 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 747562849 ZWUCQBMPIUBQNQ-MHZLTWQESA-N 450.582 6.053 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)c1 747601220 UNLUPPLQTRTZFJ-FQEVSTJZSA-N 468.579 5.060 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cscn1 747601337 GIJYPRWXGUPFQP-LJQANCHMSA-N 468.579 5.060 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccs4)nc4ccccc34)CC2)c1 749147147 CKUSBISGBXHWOQ-UHFFFAOYSA-N 466.566 5.326 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)cc1 749337340 CZJVVPAQLIWYIX-HXUWFJFHSA-N 454.452 5.195 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 800374545 LRGBHCIJIKDCIO-JOCHJYFZSA-N 477.564 5.631 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccccc1OCc1ccccn1 819841658 BWVIDYZZHFRMRP-UHFFFAOYSA-N 486.984 5.943 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccccc1F 825103677 XXSAOVXTMXNAJL-SFHVURJKSA-N 465.598 5.380 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N([C@@H](C)CCc2ccco2)C1=O 837299126 BYBYUQGGUIGNKT-YADARESESA-N 491.613 5.578 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cccs3)C2=O)c1 837301085 FUOKWRNQHKVOJK-QFIPXVFZSA-N 495.626 5.234 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2C)c1 837344848 IUMJNIULODGHFY-XMMPIXPASA-N 489.597 5.173 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccs2)C1=O 837782533 ISQVQQIDYLPWPD-HXUWFJFHSA-N 486.018 5.571 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCN(C3CC3)CC2)cc1 837874943 IFGDUQIOKZUEFX-RUZDIDTESA-N 490.673 5.199 30 20 JKED COc1ccccc1[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)CCC(=O)N1c1ccc(C)cc1 914445755 DFJNTTDHVAMGHX-IKKNDMBGSA-N 467.569 5.237 30 20 JKED O=C(NC1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 914504014 IXRZJDIGUWIZFO-LZCJLJQNSA-N 488.403 5.298 30 20 JKED COc1ccc([C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC(C)=O)cc1 915103623 ZMQZOBWSXLDTIF-QUCCMNQESA-N 488.396 5.569 30 20 JKED COCCOc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1OC 915993339 NUZKBKQTBMSFTB-WUXMJOGZSA-N 465.933 5.522 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(OC)c1 916207346 WNSHDWNZHCYDTA-KRWDZBQOSA-N 464.374 5.148 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(Cc2ccco2)C1=O 916207638 HSBGPLJLJMJKBK-JOCHJYFZSA-N 463.559 5.066 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)c(OC)c1 916211755 PKIZXTGYAKJESF-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1cc(C=NNc2cc(C)cc(C)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916346580 JKMRWPBFFLPIAP-UHFFFAOYSA-N 471.479 5.794 30 20 JKED COc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C 916367624 IXVFLSUPYBUGCV-QHCPKHFHSA-N 494.661 5.802 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)c1ccc2ccccc2n1 916849408 QGXXIYSQQZUMDB-SQJMNOBHSA-N 457.327 5.994 30 20 JKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888588 WVHHBTGFQPSJTH-YGRLFVJLSA-N 459.301 5.423 30 20 JKED COc1ccc2cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)ccc2c1 916905313 MPZKOQVLLCQFEH-ZTBKZUISSA-N 462.505 6.001 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916905353 NVTDRFSEUYTYTB-HXUWFJFHSA-N 450.947 5.713 30 20 JKED N#C[C@@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 916908238 GELAPNYESHWETM-WMZHIEFXSA-N 469.393 6.164 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 916911099 VLKXERITXGGRAB-XMMPIXPASA-N 487.519 5.233 30 20 JKED Cc1ccc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 916926974 AWTPMQCSYRXSJW-HJHHMULASA-N 452.135 5.425 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1C 916944528 GYUQFQVENYEUIM-GOSISDBHSA-N 488.400 5.020 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3ccc(Br)cc3C2=O)cs1 917560591 SAZKEJCLQHHULO-GXDHUFHOSA-N 487.350 5.778 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc2ccccc2c1 917698757 CTXMWLMEMQCNQN-FQEVSTJZSA-N 482.949 5.382 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2C#N)cc1 917704450 VNBRJSWEUZZOCS-RUZDIDTESA-N 498.608 5.174 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(S(C)(=O)=O)cc1 918168624 XIRJEFXHOHIOAC-HSZRJFAPSA-N 497.041 5.180 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)cc1 919509541 BHRFWIGTSSDJDT-FQEVSTJZSA-N 458.583 5.569 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)o1 919515312 POUAMCLNZRVAPJ-UHFFFAOYSA-N 479.703 5.486 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cs1)c1c(C)cc(C)cc1C 919638073 YALZJWHKMLIRIQ-VWLOTQADSA-N 491.613 5.771 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(COc2ccccc2Br)cc1 920105355 CPYAHBLCWRFLOH-HXUWFJFHSA-N 487.353 6.023 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)n1 920327662 JFCVWEMDHJSTOO-WAGPWIPHSA-N 454.910 5.529 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 920867893 WVSVIYBCGXOZTF-IFXJQAMLSA-N 497.514 5.087 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)cc1 920911240 VAKJGSVJRHDBIU-UHFFFAOYSA-N 456.285 5.042 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3nc(C)oc3C(F)(F)F)CCC2)cc1 1785841977 JMEBPENTOOKHEY-UHFFFAOYSA-N 463.500 5.742 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)CCc3nnc(C)s3)cc2)CCC1)c1ccccc1 1786883409 YFYRTTACJMOPGE-DEOSSOPVSA-N 486.641 5.110 30 20 JKED CC(C)(C)OC(=O)N1CCc2sc(C(=O)NC3(c4ccc(NC(=O)CCC#N)cc4)CCC3)cc21 1787887524 IJCBSOBLTOXWKH-UHFFFAOYSA-N 494.617 5.097 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cccc4ncccc34)CCC2)cc1 1788649734 UOXYDXPOKGGURI-BUHFOSPRSA-N 481.577 5.483 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1 1789516357 RLYHZHFSLMVLNI-OKCVXOCRSA-N 490.501 5.064 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccnc4)[nH]n3)cc2)CCC1 1789802947 MFTCNJXMTWQDHL-UHFFFAOYSA-N 499.691 5.271 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccccc45)CCC3)cc2)c1Cl 1790083763 KZOFWYXELHMRES-UHFFFAOYSA-N 469.932 5.149 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccc(F)cc4)CCC3)cc2)c(C#N)c1 1790472152 RCVFXIXAPCWVOG-SVBPBHIXSA-N 497.570 5.186 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCCC4(F)F)CCC3)cc2)c1 1790761806 CSKWEEJIXFCMMX-HXUWFJFHSA-N 455.480 5.271 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)nc4)CCC3)cc2)cc(C(F)(F)F)c1 1790784929 CFOQGRHBDUSHIT-UHFFFAOYSA-N 482.437 5.173 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1 1791106768 NSCFXWXDBANGDP-UHFFFAOYSA-N 479.580 5.502 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)CCC2)cc1 1791254655 WCPXAKJASKDBRA-KZTDQWPFSA-N 495.664 5.226 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1793572755 LHVFSWUFMDSDAV-IAVMFFSMSA-N 473.057 5.235 30 20 JKED CC(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)c(C(F)(F)F)c1 1797021833 UNLZNVGIJHVANH-BJWYYQGGSA-N 492.929 5.178 30 20 JKED N#Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1 1802388156 MICXFYCDDKJJBE-FREGXXQWSA-N 488.591 5.059 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@H]1c1cccnc1 1803081793 IEWNUMVTVYENAE-MISPCEAFSA-N 498.671 5.234 30 20 JKED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803223923 XNVWBLTYMNXZMQ-CRAZFUPSSA-N 486.081 5.033 30 20 JKED CCCC[C@H](CC)COC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(C#N)CCC2)cc1 1804115187 FDQQNZKNNNFYBC-OXCBMLQPSA-N 493.648 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1805698601 QDFFKOLEOXZQNI-FPOVZHCZSA-N 475.511 5.090 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CC1 1810273363 VYOHOSMNAQCBSU-LBNVMWSVSA-N 495.784 5.745 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1810502289 GTBGNSPOHDYQOJ-VPUSJEBWSA-N 461.650 5.446 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@@H]2c2cccnc2)c1Cl 1811420085 LAYBPQJPJAFDAU-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811720459 CUELGCAMWVWIQM-GIGWZHCTSA-N 481.596 5.387 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811725764 LAJSQNJEXPOHCR-FDDCHVKYSA-N 497.357 5.033 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c1 1811752654 RNQUEBSQXMSRAS-CYFREDJKSA-N 493.394 5.202 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1812791852 JBUQBRNFENVIPG-LEQUEVMJSA-N 493.051 5.389 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CCCC3)n[nH]2)c1 1814684109 GTYKNFRGLWXQBU-VWLOTQADSA-N 497.599 5.108 30 20 JKED O=C(CC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1817104447 FTVLRGFLXCTWMM-QFIPXVFZSA-N 480.490 5.068 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818214925 YGDUJVFKDFBAOL-HNAYVOBHSA-N 465.520 5.329 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818992556 MSORMFRRKZLMNM-HSZRJFAPSA-N 493.659 5.387 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819149056 LJBNYWTVYFFEBW-NRFANRHFSA-N 493.709 5.376 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1819491862 CQFCFVWCUUKHDJ-NKSQBSFPSA-N 477.952 5.246 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)[nH]n2)c1Cl 1820218294 SATPCLQISUMTDY-DJGBTNNQSA-N 495.917 5.232 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)C#CC4CC4)[nH]n3)ccc21 1820225819 OKNLOJKGVIXLTO-SANMLTNESA-N 479.584 5.257 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3cccc(F)c3)[nH]n2)c1 1820484258 SPIHPOUWUUBLSA-XMMPIXPASA-N 494.530 5.102 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821276066 ZMWUTXPWOKZOCN-QFIPXVFZSA-N 491.592 5.136 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccoc34)n[nH]2)c(Cl)c1 1821536971 KNMIWJPXLAQSGI-OAQYLSRUSA-N 473.920 5.301 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)[nH]n1 1821922106 YTQWWCZSEJPCPV-LIRRHRJNSA-N 484.398 5.172 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3c(F)ccc(F)c3F)[nH]n2)c1 1823210467 FDHIVBTXPADKIT-NYHFZMIOSA-N 495.505 5.003 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)[nH]n2)c1 1823211678 OZCLYJGBPTUVMN-YXYLUEIESA-N 453.546 5.056 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823213229 RRGWZXYSQZRSIT-OXJNMPFZSA-N 477.590 5.117 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)c1 1823218258 QHNNCNMGPXJOGM-KSFYIVLOSA-N 495.505 5.675 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1823716849 ZEFIEWILRQJXRY-FHNXWNBASA-N 475.658 5.276 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1824143279 KKFBICLWWYDYFE-QHCPKHFHSA-N 483.056 5.298 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824447390 QQFPCVBYSDGDCL-JOCHJYFZSA-N 477.571 5.198 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1)c1ccccc1 1825404460 KFHSJVMALCSPNG-RSXGOPAZSA-N 493.598 5.450 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)CC2)c1 1826763614 BDDMXYKSDZXLFX-AVRDEDQJSA-N 475.555 5.280 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826779822 ZALSHDUEQYIBBC-ANHREMPLSA-N 489.704 5.753 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)ccc2c1 1828087597 RFKDCQDOIJXKSI-NDEPHWFRSA-N 480.612 5.156 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)COC3)CC1)c1ccccc1 1828236909 MEUAZDGDJGQGCA-URLMMPGGSA-N 484.640 5.147 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1828349982 VJCKEZKEWHZNKP-NFBKMPQASA-N 454.014 5.191 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nscc23)CC1 1828830068 KDPIZYGEZQDHPB-GBXCKJPGSA-N 451.636 5.298 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829582201 MJXOGRUEJBSCEK-HXUWFJFHSA-N 485.600 5.599 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830534408 BTNLBFXNHDYBMT-IBGZPJMESA-N 476.461 5.289 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCCn3cccc3)CC2)c(Cl)c1 1830721824 QPLDOYFXZVDYOL-VWLOTQADSA-N 481.040 5.117 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4[nH]ccc4s3)CC2)c(Cl)c1 1830721976 WRDZVFIGRBPZGY-NRFANRHFSA-N 481.021 5.302 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c(C)n1 1830755578 HWWCXINYLQCYFB-DEOSSOPVSA-N 498.549 5.136 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832042229 NYMXCRVZAOJXRX-KDYSTLNUSA-N 489.685 5.512 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1833079001 FCYJGDXPYHAVTJ-UHFFFAOYSA-N 481.706 5.387 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC23CN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)CC1 1845258363 CHZPXWFRPWVVBV-UHFFFAOYSA-N 461.528 5.001 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 11259216 NIMPQXYZMFPLNM-UHFFFAOYSA-O 488.032 6.278 30 20 JKED C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2scc(-c3cccs3)c2c1=O 11383092 WGPGQBMCTPOTSZ-CYBMUJFWSA-N 478.624 5.462 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2Cl)c1 15010538 PGJRGMRTHVCPOS-UHFFFAOYSA-N 479.360 5.766 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 21121680 ZDKZYQOXGZHNEP-MRXNPFEDSA-N 495.605 5.425 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731249 ZIFIVKWYUJNRPQ-UHFFFAOYSA-O 497.640 6.023 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 27418460 KZJHMQHGZSOQAP-SFHVURJKSA-N 467.525 5.218 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28649068 VLNVAQHPYMIWEM-UHFFFAOYSA-O 492.577 5.002 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)c2)c1 32288202 KKJKUUTXXNRTCX-UHFFFAOYSA-N 476.945 5.571 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)n(Cc2ccc(F)cc2)c1C 32391317 ARZXWHFHUIDPIR-UHFFFAOYSA-N 494.983 5.333 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)c1C#N 46790234 XRTZGHOBCDUZIA-UHFFFAOYSA-N 450.495 5.098 30 20 JKED C=CCn1c(SCc2cccc(OCC(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 59832585 XSCLFPDZNGFWGN-IBGZPJMESA-N 463.481 5.210 30 20 JKED COc1ccccc1-n1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1cccs1 104566103 DPZFHFVIFWCCNH-UHFFFAOYSA-N 499.621 5.848 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cs1)c1ccc(F)cc1F 212761650 RPEPTWYTEGRHLO-DAXSKMNVSA-N 453.297 6.309 30 20 JKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1occc1COc1cccc(C#N)c1 303207618 ZJZRCNGGFAWFED-UHFFFAOYSA-N 472.328 5.138 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccc3)CC2)c1 409537843 WQVOYZPPCNGWNN-AREMUKBSSA-N 487.003 5.556 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)c2)cc1 409934159 XEOGZUMUWLIMGY-UHFFFAOYSA-N 483.837 5.856 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 487974736 MVKGCOJYFUVCSI-UHFFFAOYSA-N 470.548 5.170 30 20 JKED C[C@H](c1ccccc1)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 498096421 AICCIRVOSIBPMO-HXUWFJFHSA-N 466.541 5.817 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 500074288 PFMDBDIIGABEOW-UHFFFAOYSA-N 472.552 5.098 30 20 JKED Cn1ccnc1SCc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 501874656 UHBWRGYEHPNLQF-UHFFFAOYSA-N 467.554 5.089 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3-c3nc4ccccc4s3)CC2)c1 502660017 HGVHWKOYSBXTNU-UHFFFAOYSA-N 481.581 5.718 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1nc(C)c(SCC#N)s1 504830837 JMPQAMCYGYXPOM-UHFFFAOYSA-N 463.009 5.595 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)cc1 505626496 SWZUBBFLTRCUDC-JOCHJYFZSA-N 469.541 5.159 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1 506588279 YMXMSCOEBWDMTM-GOSISDBHSA-N 469.054 5.721 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(-c2ccccc2F)c1C(F)(F)F 508866785 RXNXWJPDJNJEAC-UHFFFAOYSA-N 486.269 5.715 30 20 JKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 509560994 VEYPCXFORFAPNU-CQSZACIVSA-N 453.486 5.058 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)nnc1-c1ccc(OC)cc1 510348585 NXPMZOKCEPINPX-UHFFFAOYSA-N 468.598 5.198 30 20 JKED CC(=O)Nc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C(F)(F)F)c1 513949758 GGGBQUFAFOGGCZ-UHFFFAOYSA-N 484.453 5.909 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1 514054737 VDNFQXHDPRIKIG-UHFFFAOYSA-N 486.956 5.661 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 514559012 PARYPKCCJDOSEK-UHFFFAOYSA-N 459.502 5.063 30 20 JKED COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3sc(C)c(C)c3C#N)[C@H]2c2ccccc2OC)cc1 514612640 QYIJTMIUIDMMCU-SQJMNOBHSA-N 489.597 5.377 30 20 JKED C=CCn1c(S[C@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccc(Cl)cc1 514985839 LUEXTPKOUWGNLH-UNMCSNQZSA-N 483.037 5.541 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 517467246 RCGRLQQAONNKHL-HXUWFJFHSA-N 457.599 5.215 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(-c3ccco3)nc21 518516607 NLJRHWCCUITVJF-LJQANCHMSA-N 478.537 5.757 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 518660130 LCQUNGYJKQAARN-CQSZACIVSA-N 484.672 5.399 30 20 JKED Cc1ccc(OCCCCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 519003976 XAXQPXKBTDFBAX-UHFFFAOYSA-N 477.948 5.226 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1ccc(C(F)(F)F)cn1 519250821 VZWGPXINEXSHON-IBGZPJMESA-N 475.426 5.577 30 20 JKED Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CCCC2)c1 519434308 UPJSAMCJLCZJJP-SFHVURJKSA-N 456.633 5.280 30 20 JKED N#C[C@H](C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 520076398 JBAYGZNXIYCGLO-MRXNPFEDSA-N 484.324 5.701 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 520128126 WIEIAPITCJMJJP-IBGZPJMESA-N 465.985 5.573 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl 520198049 YRGQFRAJUHAMEK-CVEARBPZSA-N 459.974 5.046 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 521366913 UOUQJYORPFEHDJ-UHFFFAOYSA-N 451.530 5.534 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1OCc1c(C)noc1C 524141709 VGQONOPQMRTBAM-UHFFFAOYSA-N 467.525 5.882 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc1 524304569 CDVSRTAOZNDNSI-SANMLTNESA-N 493.529 7.110 30 20 JKED C=CCN(C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1)[C@H](C)c1cccc(-n2cnnn2)c1 553300239 YUBKVZPJBLXQLI-MRXNPFEDSA-N 494.024 5.206 30 20 JKED Cn1ccnc1[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1 558733344 DHABWFYCIUSRAH-VWLOTQADSA-N 471.511 5.071 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 589728738 HVJWFODJZSEYQJ-UHFFFAOYSA-N 473.548 5.186 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)c3cnn(C(C)C)c3n2)cc1 590938553 JPKJXQCYIZBAFP-HHHXNRCGSA-N 496.590 5.149 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1ccco1 594527044 BIFVMPMYWPSKSE-XWUOBKMESA-N 475.618 5.574 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1ccc(OC(F)F)cc1 595869277 IVEBDEOCGQCBOC-CQSZACIVSA-N 493.417 5.296 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)cn2)c1 603622719 CWXCKDMLPGIQDH-OAQYLSRUSA-N 481.339 5.296 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 603774088 VZIDTAZVYIYPNB-UHFFFAOYSA-N 498.995 5.940 30 20 JKED N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c(-c2ccccc2)n1 603804114 JKJJCITUNAYZLU-HHHXNRCGSA-N 477.524 5.006 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(NC(=O)c4ccncc4)c3)c2)cc1 604084786 KOIVPBBJOGYZET-UHFFFAOYSA-N 491.551 5.301 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 609061051 IIXZHRGGDYQFTJ-QHCPKHFHSA-N 459.571 5.141 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 609080078 PMYGKFIRSDSDDC-LSYYVWMOSA-N 469.585 6.077 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2F)c1 609110892 YKGLAFOIJZWXIZ-UHFFFAOYSA-N 472.520 5.159 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)O[C@H](C)C2 609326823 IMBUAZNILQBVLN-XORNHQRDSA-N 455.514 5.210 30 20 JKED COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)NC2CCN(CC#N)CC2)cc1 609330157 KPAZEFSAPHFVSN-VZFXBBDVSA-N 480.612 5.084 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 609376822 KCRUDGAXVIIVOS-OAHLLOKOSA-N 463.563 5.639 30 20 JKED Cc1nc(COc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)no1 609382805 FCEULKMMVJBOGR-UHFFFAOYSA-N 456.527 5.373 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)N2CCCCC2)cc1 609398806 SXVVMUMLRQLQBU-CVDCTZTESA-N 452.624 5.296 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 609415045 NLDYMUBHOIBQEZ-QFIPXVFZSA-N 471.523 5.236 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2sc(C)c(C)c2c1=O 612545916 NUFBCOYEIIDNIT-SFHVURJKSA-N 493.658 5.183 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c12 613403501 PWXGKUQMSGJBHD-CQSZACIVSA-N 463.975 5.758 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nnc1-c1ccco1 614512102 LDTUPCJJFAUPGO-UHFFFAOYSA-N 455.540 5.297 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)cc1 620574593 BQRDCQUVUFWUDI-UHFFFAOYSA-N 460.530 6.032 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 622453877 WDVULPSTKGBRAV-SECBINFHSA-N 476.364 6.219 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc(-c2c(F)cccc2F)cs1 726328231 HIHVXSIVZWCPHJ-CQSZACIVSA-N 476.464 5.694 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CC[C@@H](C)OC)C2=O)cc1 726396566 FPKABGIPGLDIHV-IERDGZPVSA-N 490.025 5.124 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/[C@H](C)c1cccs1 726419416 FDXWLPMZAKDDDG-CBECUCKHSA-N 493.654 5.485 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 726497491 ZWDGDXIOXZMUMZ-UHFFFAOYSA-N 483.436 5.110 30 20 JKED Cc1ccc(C)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 726570597 GZXUDMPMUIGESI-UHFFFAOYSA-O 477.053 6.737 30 20 JKED N#CCSc1ccccc1C(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 728192142 DJYLRQXRTPJBAM-UHFFFAOYSA-N 452.963 5.343 30 20 JKED CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 728392363 IBCLUJCTIHYEDD-UHFFFAOYSA-N 482.556 5.045 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2c[nH]c3cccc(C)c23)C1=O 728421236 RPSQJAYJVQIZCK-IBGZPJMESA-N 489.428 5.093 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c(C)c1 728777559 LIZNABKLYBXMEX-NRFANRHFSA-N 470.545 5.236 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(CCCCC#N)C2=O)cc1 728778724 UWGIGDXMYXYGLI-QFIPXVFZSA-N 464.591 5.048 30 20 JKED Cc1ccccc1-c1nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c(=S)n1Cc1ccco1 728902850 BHWPQEDWRNVBLE-UHFFFAOYSA-N 485.613 5.403 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](c2ccccc2)C2CCC2)cc1Cl 729145150 IYDOUEZZZQSBJC-ISKFKSNPSA-N 493.032 5.353 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ncccc3C)C2=O)cc1 729634516 NJBGXZZGMYXHHN-QFIPXVFZSA-N 480.540 5.137 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ncccc1C 729634743 SCICOEDTQAAODC-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc3ccccc3n1C(F)F)O[C@@H](C)C2 730690433 SZLCUAFAHFFRQE-IKICRFKJSA-N 451.473 5.133 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1Cl 730715374 MUJPXUPEHWAKKY-NHCUHLMSSA-N 492.004 5.086 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944644 YXCIIKDVZGBWSU-YADARESESA-N 488.613 5.510 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2c(F)cccc2F)n1 731077950 QDNBHESMHYHLFT-CYBMUJFWSA-N 473.526 5.278 30 20 JKED N#CCSc1ccccc1C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 742424136 GKCKURXJFCOYSE-UHFFFAOYSA-N 473.001 5.781 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCOC(C)(C)C)C2=O)c1 746697736 KUNJSYOSAQZCQP-FQEVSTJZSA-N 490.025 5.124 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747002540 RCWOMLPZSBATKE-HXOBKFHXSA-N 465.475 5.519 30 20 JKED O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1=Cc2ccc(OC(F)F)cc2CC1 747840819 ZWKHRTXNIGCCGX-CHWSQXEVSA-N 493.416 5.404 30 20 JKED CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 748481593 FFGJETWTSLHFNK-QAPCUYQASA-N 464.418 5.720 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 749046934 CGVJCAHWWMQDRE-BEFAXECRSA-N 461.953 5.273 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCC(F)(F)F 750397564 ODSJFCMDWYHTAE-CQSZACIVSA-N 467.394 5.190 30 20 JKED COc1ccc(-c2nc(C=Nn3c(S)nnc3-c3cccc(Br)c3)cs2)cc1 767216521 PSTYBXUAANIJAW-UHFFFAOYSA-N 472.393 5.011 30 20 JKED COc1ccc(-c2nc(C=Nn3c(S)nnc3COc3ccc(C(C)C)cc3)cs2)cc1 767218003 DJQOXJMLFGKCGM-UHFFFAOYSA-N 465.604 5.284 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O 799219272 OIRXYZIXYQEHQI-SFHVURJKSA-N 483.487 5.137 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(Cl)cc1Cl 799220204 IAVBCIVRYIZDRQ-SFHVURJKSA-N 496.803 5.249 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CC(F)(F)F)c1 837357783 YTHWGMJMTUHRBG-INIZCTEOSA-N 489.878 5.010 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cccs1 838484883 GFWKAYOUCYVOSF-FQEVSTJZSA-N 469.563 5.056 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc(N4CCCCC4)cc3)no2)CC1 904614152 AGWWWMLGYIJJBF-UHFFFAOYSA-N 470.533 5.231 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC2CC2)C(C)C)ccc1Cl 915055375 JAFIWMPFANJQPF-UHFFFAOYSA-N 481.445 5.635 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915084994 CREBBNJSPUEZPF-AHKZPQOWSA-N 464.569 5.145 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nn1-c1cccc(C(F)(F)F)c1 915085972 DREILLLISSCMKR-HSZRJFAPSA-N 488.469 5.468 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(OC)c1 916207390 WXIGEWJSPVZTNO-LJQANCHMSA-N 490.423 5.218 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OC(=O)c1cccs1 916546550 XORBDROMSLPWRO-UHFFFAOYSA-N 484.990 5.395 30 20 JKED N#C[C@@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916845947 ZQGGEVXFDKEDNH-HNNXBMFYSA-N 453.614 5.244 30 20 JKED COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)ccc2c1 916846861 GTJTTYCNXXMMPJ-WUTDNEBXSA-N 455.539 5.327 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916886795 JZDKOGGWBJXHEB-OAQYLSRUSA-N 486.927 6.195 30 20 JKED C[C@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(SC(F)F)cc4)cc3c2C1 916887443 OMXVJBGZCVZGLN-DJJJIMSYSA-N 453.514 5.569 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916888740 XYCNCZNUPYXYGH-IBGZPJMESA-N 487.553 5.414 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916898313 BCUZYIOGGRLTRS-NRFANRHFSA-N 491.931 6.126 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1C 916975346 XZLMEACVJMJTHZ-HXUWFJFHSA-N 473.627 5.674 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995678 CEZIWXOKTKDLJH-WMLDXEAASA-N 477.417 5.221 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc3c(ccc4ccccc43)o2)cs1 917559532 LHVMYRMLQSGRIX-JLHYYAGUSA-N 452.535 6.932 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2)c1 917675520 MFVRALGOAFCRJZ-RUZDIDTESA-N 487.625 5.610 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccsc3)C2=O)c1 917702278 DXSCFSBBBSLCOK-QFIPXVFZSA-N 474.611 5.397 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)c2)cc1 918609695 SKZIHFOWLSWUER-UHFFFAOYSA-N 456.502 5.092 30 20 JKED N#Cc1ccc(CSCC(=O)OCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 919206959 HLDWIUQBOMTUGC-FQEVSTJZSA-N 463.386 5.005 30 20 JKED Cc1cccc(C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c1NC(=O)c1ccccc1F 919644023 FQIRJJSUKZMLSQ-UHFFFAOYSA-N 468.488 5.109 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(OC)c3)CCC2)cc1 1786366427 IPGOQNMVIIKHFL-UHFFFAOYSA-N 499.611 5.488 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)c3ccccc3)CCC2)cc1 1786545187 UMHRNRULSLGMFA-DHIUTWEWSA-N 495.595 5.301 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CCc3cc(Br)c(OC)cc3F)cc2)CCC1 1786581845 LUJVUDZMNQKKJY-UHFFFAOYSA-N 489.385 5.240 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)c(Cl)c1 1786705002 DREFCBKRCYIZHT-UHFFFAOYSA-N 487.987 5.140 30 20 JKED Cc1cccnc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1786797814 GRWVPYXVCTZVOC-UHFFFAOYSA-N 472.976 5.296 30 20 JKED Cc1noc(C)c1CCC(=O)Nc1ccc(C2(NC(=O)C#Cc3ccc(Cl)cc3)CCC2)cc1 1786907933 ARAWEDMIEBHQMS-UHFFFAOYSA-N 475.976 5.063 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)CSc4ccccc4)cc3)CCC2)ccc1F 1787774934 WANGRJMTXJNNHA-UHFFFAOYSA-N 473.573 5.166 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CCC1)c1ccc(O)cc1 1788435286 QOPKCBBZPBIMBX-OAQYLSRUSA-N 492.579 5.213 30 20 JKED Cc1cnc(Cl)c(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c1 1788649506 OLEUAKCALXRQKG-MDZDMXLPSA-N 479.989 5.292 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cccc4cnccc34)cc2)CCC1 1789326723 XRCXNSJUKRHZEE-VAWYXSNFSA-N 481.577 5.483 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCc5ccccc54)CCC3)cc2)c1 1790076439 NFBWYZBEDNBCRN-SANMLTNESA-N 465.553 5.045 30 20 JKED CO[C@@](C)(C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1)c1cccc2ccccc12 1790147091 FPZHOZGPCJRTLL-GDLZYMKVSA-N 492.579 5.349 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)cc1 1790299863 UOMVWLDRCARILL-UHFFFAOYSA-N 494.473 5.042 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCSCc3ccc(C)cc3)CCC2)cc1 1790569869 LZIRPCPKPNCLOR-NRFANRHFSA-N 481.662 5.553 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)ccc5F)cc4)CCC3)c2c1 1790763982 PYSAFRKMFDANMU-UHFFFAOYSA-N 482.515 5.249 30 20 JKED C[C@@H](Cc1ccncc1)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767784 LLQFTBMMYFGRAM-SFHVURJKSA-N 472.976 5.233 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)cc2)CCC1 1790817209 OARJMRGBASWLJT-MRXNPFEDSA-N 476.495 5.053 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790959044 HSLYEFHVAPAGFI-STBIYBPSSA-N 477.996 5.041 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnccn4)c3)CCC2)cc1)C(F)(F)F 1791302833 YWKMHDLIKCZHSB-UHFFFAOYSA-N 466.463 5.010 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](O)c4ccccc4Cl)CCC3)cc2)c1 1792127287 VBVJZQFDGJARPN-IQGLISFBSA-N 487.987 5.448 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1NC(=O)OC(C)(C)C)C2 1793052751 PSPWKVYPBRVLHF-WKCHPHFGSA-N 467.610 5.054 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)COc2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1802492828 QQLZYDFVLBHGSH-AOYPEHQESA-N 477.649 5.084 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(F)c2C)[C@@H]1c1cccnc1)c1ccccc1 1802763034 QCYVQDJRAOQUPD-MPYJOUPCSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H]1c1cccnc1 1802937628 VIDLGHOBNVUPMZ-RVFVQDDPSA-N 463.597 5.023 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1)[C@@H]1CC=CCC1 1803042122 BUFLTYSYWWVZEX-KXTWMDTESA-N 489.619 5.157 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@H](C)c4ccc(Cl)cc4)C3)CC2)c1 1805194934 LSWNACGODRTXCS-LEWJYISDSA-N 478.036 5.616 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809445225 LRUFTXSTXRHSLC-HRAATJIYSA-N 489.975 5.481 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)cc12 1809809888 WOVOIURSFDUNPW-FNZWTVRRSA-N 497.986 5.030 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc3occc3c2)[C@H]1c1cccnc1)c1ccccc1 1810443198 DUMBASCLXPCWQV-XQFUHLNNSA-N 491.591 5.345 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811220596 NXEGUMIGPXCRDE-YADARESESA-N 493.394 5.202 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1811634070 WIXBZHDZXBINSR-ZRKWFTTGSA-N 494.639 5.541 30 20 JKED Cc1cc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)ccc2[nH]1 1812277237 IOYNEUGLXYFBHL-RLWLMLJZSA-N 497.986 5.030 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1812795098 JSZXGWOQJTZOFG-RBLMETTKSA-N 486.660 5.491 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1812962564 WIZKNCFSWUQWRV-ZRIRBKMQSA-N 477.624 5.435 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1813226199 LIZRDYCXZYSYJN-GAJHUEQPSA-N 476.379 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(Cl)cc2Cl)n[nH]1 1814369609 HEZYELGMRCOTDX-MAUKXSAKSA-N 462.381 5.186 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)cc1 1814377678 RHCDWNVLXWATHV-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1814441537 MMTUEFGKMYGCHV-OAQYLSRUSA-N 451.546 5.328 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3c(F)ccc(F)c3F)n[nH]2)c1 1815496140 KSSXIBDTMUGXFW-NYHFZMIOSA-N 495.505 5.003 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)cc1 1815785679 AKGQDXGZZDOZQE-SLIGWNDSSA-N 492.583 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)n[nH]1 1816224124 ZNVLVYZYRJFADO-JOCHJYFZSA-N 496.562 5.376 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccccc4n3C)n[nH]2)c1 1818441512 VKHVOYVEPPERPJ-HOYKHHGWSA-N 480.572 5.148 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cnccc34)n[nH]2)c(Cl)c1 1819129408 UMOODHDYAQRZPA-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(C)oc3cc(O)ccc13)CC2 1820098502 WCNTYORNLPNQIH-HNNXBMFYSA-N 467.591 5.122 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[nH]n1 1821989615 CFHSGKCJXXTGQU-DJGBTNNQSA-N 467.520 5.116 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1)C(F)(F)F 1821992136 SNOXCXDNLOXBGG-FQEVSTJZSA-N 483.494 5.205 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(Br)cc2)n[nH]1 1822218031 HUVOSJREMLZCIJ-FFXXTYGZSA-N 483.410 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(OCC)c(OC)c2)n[nH]1 1822274261 ZZNSZHQXSFXALZ-NRFANRHFSA-N 482.625 5.044 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2C)[nH]n1 1822581219 GXLGELZATOGSBC-HXUWFJFHSA-N 489.389 5.119 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[nH]n1 1822585274 PIVCBJRZYAURDC-SWDTZWKESA-N 457.578 5.099 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823211460 MLABZTTXFQRJBB-RDPSFJRHSA-N 485.588 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)CC1 1824040454 LLQNYSOKIPKIHX-AREMUKBSSA-N 463.666 5.333 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnc3ccccc3c2)CC1 1824137424 JLLBOZXIAWZWEW-NDEPHWFRSA-N 473.661 5.556 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccccc2F)CC1)c1cccs1 1824165831 ZRWVOYFKFPROFW-XIQMRYHBSA-N 496.648 5.269 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1824500684 GJFXNXIOMFBKBQ-QHCPKHFHSA-N 480.571 5.230 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCCC2)CC1 1824761056 HFNVOFAKQANCTB-RPWUZVMVSA-N 489.701 5.046 30 20 JKED Cc1scc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1C 1826181274 PSWHHFUETWDCQI-RUZDIDTESA-N 463.647 5.103 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828138553 WULNAFIAUXMVDI-SANMLTNESA-N 463.622 5.178 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)CC2)C1 1828162450 KSGQEYPDBSAWEC-HSZRJFAPSA-N 451.998 5.088 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c4ccccc34)CC2)CC1 1828508129 OQJCUPAWBNSRQP-HSZRJFAPSA-N 494.433 5.139 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1828821982 AZWFWMXUQUEIJJ-FPOVZHCZSA-N 495.998 5.338 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C)n2)CC1)c1ccccc1 1829030505 PMROFUOJWCKGAD-WDYNHAJCSA-N 485.672 5.140 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1829562852 KLKYLKNWOMZPQG-VWLOTQADSA-N 483.616 5.013 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830531190 AMJPAUWYPRJNST-JOCHJYFZSA-N 466.519 5.271 30 20 JKED Cn1ccc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)c21 1830721830 QSDAXPFNFNAMHM-RUZDIDTESA-N 489.019 5.250 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830830683 ZEAJXUSAUCDKIO-UUOWRZLLSA-N 454.014 5.334 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1831226364 VAPUQEJYWVKHFD-ISKFKSNPSA-N 455.042 5.183 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccccc2Br)CC1 1831375818 DRLVTSDBRHLPHT-KNQAVFIVSA-N 491.470 5.050 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1831924092 CJYSYMIANNBBEC-UNCTUWKVSA-N 476.661 5.255 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1832029226 YPZBQQHCLOKORK-SANMLTNESA-N 463.597 5.248 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832628638 ZITVDNVWCFDAGX-QEQSFVKJSA-N 475.658 5.712 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)c1 1832634449 RPHWYJKGMSQMON-KPGYKUMBSA-N 469.629 5.277 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)c1 1832634451 RPHWYJKGMSQMON-MHWRTBLVSA-N 469.629 5.277 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C(C)(F)F)CC2)cc1C#N 1832702542 KHACKEQIEKQYLK-QFIPXVFZSA-N 489.607 5.260 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)c1Cl 1832787058 QEVAPULTCHENQU-HXUWFJFHSA-N 462.421 5.229 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(Cl)cn3)cc1)C2 1841319244 KOQCUSBWSKGZTF-UHFFFAOYSA-N 465.981 5.113 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1846883545 GFBWJQGQLZXQPG-UHFFFAOYSA-N 492.366 5.133 30 20 JKED N#CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)c1ccccc1 8620682 BKLYHZSCIGGFDC-HTXNQAPBSA-N 463.493 5.028 30 20 JKED C=C(Cl)CSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 9501663 RHMQRGJKEOWZJY-WQRHYEAKSA-N 450.894 5.526 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCc2ccc(C#N)cc2F)cc1 10618333 PAKKBDUJBRLCEU-SSDVNMTOSA-N 471.513 5.412 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)cc1C 11163547 FKFVHLLVFIIYMV-UHFFFAOYSA-O 455.647 6.009 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2Cc2ccccc2Cl)nnc1-c1cccc(C)c1 11450749 QCYFCCHOTYUWHP-UHFFFAOYSA-N 479.009 5.069 30 20 JKED Cc1nc(-c2cccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)c2)cs1 12782278 MZBSPKCJPBZKOH-UHFFFAOYSA-N 484.606 5.973 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2cccc3ccccc23)nnc1[C@H]1COc2ccccc2O1 21088850 YEGTVTRJCZEWDS-XMMPIXPASA-N 486.597 5.275 30 20 JKED CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 23379087 JJWQKSMVXRAXLS-QGZVFWFLSA-N 467.620 5.416 30 20 JKED COc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC(F)F 23923230 SVSZEPMCFHTGAP-UHFFFAOYSA-N 454.498 5.391 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(C(=O)O)s2)ccc1OCC(=O)Nc1ccccc1Cl 27123261 WNRUFHJOBNPLSN-SOFGYWHQSA-N 471.918 5.022 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc3c(c2)CCCC3)c1C 28793587 NKUQXFMBOVXJMO-UHFFFAOYSA-O 481.041 5.705 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1/C(O)=N/c1nc(-c2ccccc2Br)n[nH]1 28903810 UXYXXRWYWSZNSH-UHFFFAOYSA-N 474.771 5.956 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)n1 29589869 MGDMWUBQKKUPFV-JTQLQIEISA-N 462.478 5.692 30 20 JKED COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Br 30510467 YQTVLBNCQWRROD-UONOGXRCSA-N 476.440 5.338 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccccc4Cl)n3)n2)cc1 72032245 AFODDUDCXOBZDV-GOSISDBHSA-N 465.987 6.015 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 107806372 ZCWMYBXHJBTWGN-UHFFFAOYSA-N 475.555 5.006 30 20 JKED CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 107877121 BUUZGYLWFNFJPJ-GAJHUEQPSA-N 482.005 5.325 30 20 JKED CN(Cc1ccccc1)c1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 109145136 YLDCDZSVAWIURO-UHFFFAOYSA-N 481.556 5.298 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nc2scc(-c3ccccc3)c2c1=O 248022900 VEBXYFMVMAUIQP-MRXNPFEDSA-N 479.631 5.208 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2cccc3cnccc23)c1C 303305051 DKVXQWOIBIVBSQ-UHFFFAOYSA-N 460.497 5.349 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)s2)cc1 491512506 CIBOLYULWGCSER-UHFFFAOYSA-N 475.477 5.334 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 501152633 RUQYBTYECCRZCK-HSZRJFAPSA-N 489.978 5.745 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 501157602 CHZHCEMUYXWTHL-HSZRJFAPSA-N 473.523 5.231 30 20 JKED COC[C@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 508878060 ZOQFOVXCJHEOHX-INIZCTEOSA-N 481.647 5.085 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)N(C)C 510022169 BVMLPBFPTVUEEI-UPVQGACJSA-N 462.981 5.428 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1Cl 510024493 TXAFJBJOCDPRHR-REWPJTCUSA-N 466.006 6.270 30 20 JKED COc1cc(C)c(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 511345039 YJUGTFPSQAMSFO-UHFFFAOYSA-N 459.546 5.321 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 511754363 JELLSCGWOZBVSO-FQEVSTJZSA-N 451.979 5.826 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)n2)cc1 512493146 DFPFTCFXISZCPF-QFIPXVFZSA-N 472.533 5.420 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513677221 SNDDSQUUFADNOY-OAHLLOKOSA-N 464.547 5.337 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(F)cc1 515423965 JHSCFIAZBOYFRU-CQSZACIVSA-N 480.487 5.138 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 515598914 LYOZQAPJRXOBAH-GFCCVEGCSA-N 453.564 5.758 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)n2)cc1F 515852583 GZFSKSLXOPCQMM-UHFFFAOYSA-N 457.465 5.123 30 20 JKED COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518117262 GVOBHWOWCHWYRK-UHFFFAOYSA-N 495.342 5.283 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 518145932 WPFSGYHWVHCGKQ-UHFFFAOYSA-N 454.555 5.212 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 518151648 PXRSSPMLLVTFRZ-RUZDIDTESA-N 479.540 5.228 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCc3cn4ccccc4n3)cc2)c1 518241588 BJXBOMIOHKOSJX-UHFFFAOYSA-N 476.561 6.543 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(C)cc2)cc1 520842157 PNOYPXMNFHXGRN-CLOONOSVSA-N 473.598 5.100 30 20 JKED CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520919381 HQCUGOPUMOWJEE-AREMUKBSSA-N 496.592 5.389 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 521613852 QZPLRJWMZGZHOQ-KBMIEXCESA-N 460.961 5.923 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)CC2)c1 522818337 LXEXBHMRKLZVKP-UHFFFAOYSA-N 493.489 5.207 30 20 JKED C=CCc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)cc(OC)c1OC 522923086 QFZZHKFENGXIMP-UHFFFAOYSA-N 496.361 5.094 30 20 JKED Cc1nn(-c2ccccc2)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 523284110 SZSWGCODOQHMEU-UHFFFAOYSA-N 467.476 5.371 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1 524183207 IWHMMDAODDLRTR-OAQYLSRUSA-N 455.558 5.221 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 589385015 VKFOZTDBXKFKKQ-UHFFFAOYSA-N 476.554 5.353 30 20 JKED FC(F)(F)c1ccn(-c2ccc(CN[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)n1 589838259 JKBSJJNUQCQOOL-WDNDVIMCSA-N 459.356 5.890 30 20 JKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 591661995 BFBDYHALCQHDQS-AWEZNQCLSA-N 453.514 5.292 30 20 JKED Cc1nc(NC(=O)CCc2c(C)nn(CCC#N)c2C)sc1-c1nc2ccccc2n1C(F)F 603435032 PFGQEBOYWUIXNW-UHFFFAOYSA-N 483.548 5.162 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1Cl 603766668 SKTYKXMHGNVGNH-QHCPKHFHSA-N 490.968 5.815 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1-c1ccc(F)cc1F 603815496 CCCONGYSAZJHPV-UHFFFAOYSA-N 458.468 5.356 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)o1 603992242 LTTHJBVCLDUMBO-UHFFFAOYSA-N 451.507 5.681 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cs1 603992805 ZYFUJWQULHZVDX-UHFFFAOYSA-N 474.567 5.177 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4cccc(Br)c4)C3)cn2)c1 604400265 FKHFSBHEEFCLIZ-SFHVURJKSA-N 492.377 5.156 30 20 JKED Cc1cnc2c(S(=O)(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cccc2c1 608928588 URJUFQHRHRSFRX-UHFFFAOYSA-N 488.516 5.282 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2)c1 609073795 YDOOHBZPVZHFNP-NRFANRHFSA-N 472.520 5.159 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2)n1 609103999 AQWHSXRXWANBOJ-UHFFFAOYSA-N 454.505 5.390 30 20 JKED COc1cc(CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)ccc1OC(F)F 609208662 DAJIZYURTDOTTK-UHFFFAOYSA-N 479.483 6.157 30 20 JKED COc1ccc(C[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2ccc(OC)cc2)cc1 609211556 YODGQJLOQBSSBE-MUUNZHRXSA-N 485.584 5.112 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC(Cc2ccccc2)CC1 609401398 LEQSHZOCBQVQMY-UHFFFAOYSA-N 475.536 5.131 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 609435134 RGLDKQFOENOLJU-QGZVFWFLSA-N 475.456 5.439 30 20 JKED N#C[C@H](C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1nc2cc(Cl)ccc2s1 613407446 SXFDMEYYAJFOQH-MRXNPFEDSA-N 451.960 5.431 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)c2)cc1 614183240 YSQYHKSVGFSUAO-UHFFFAOYSA-N 470.525 5.095 30 20 JKED Cc1ccc(-c2noc(CCC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)cc1F 615939920 LMEFGUABYHMTKZ-WDNDVIMCSA-N 467.385 5.142 30 20 JKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 622604149 XUWGFVWXAUPBDB-HNNXBMFYSA-N 455.301 5.096 30 20 JKED O=C(NCc1ccc(OC(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642343717 YRQNKFFWCPNAAU-QWRGUYRKSA-N 452.317 5.294 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)C(C)(C)O)c2C#N)C(C)(C)C1 725934963 LRYHNDIMHSDGDJ-SREVYHEPSA-N 470.616 5.020 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(C2CCCC2)C1=O 726417123 YKIQSZABEAFHBU-DGWWXRSNSA-N 485.631 5.087 30 20 JKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C/c4ccc(O[C@H](C)C#N)cc4)nc(=O)c3s2)cc1 728698144 DYQQSPFFHXQIEE-AXLWCPOOSA-N 463.946 5.688 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1F 728777352 KJKAFGULEFOQAH-IBGZPJMESA-N 492.498 5.499 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CCCCC#N)C1=O 728777987 NLPVQLVCTMMKBE-MPLGVTFNSA-N 489.066 5.794 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1scnc1C 729145173 JIPXAIIVCUMJEV-NRFANRHFSA-N 494.642 5.183 30 20 JKED CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729552818 MBNGOMQJAPDESR-FGZHOGPDSA-N 483.490 5.264 30 20 JKED CCN(C(C)=O)c1nc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cs1 730436451 PRAZWLVWYVUPNR-RAXLEYEMSA-N 488.432 5.614 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730458570 ANPJXABVYLKMIT-SFHVURJKSA-N 465.472 5.357 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 730460839 GXHOAPQLKYWERQ-SFHVURJKSA-N 494.907 5.039 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CCC2)C1=O)Nc1ccccc1Br 730461383 NLGMBUGCFKNPEH-SFHVURJKSA-N 492.826 5.615 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730719477 FSKOVXOSGYMFDW-FQEVSTJZSA-N 486.956 5.190 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 731060562 YFOXPCQUPNUHHC-GOSISDBHSA-N 487.606 5.899 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N([C@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731306030 JBXFUCQMZIVLNP-XZOQPEGZSA-N 475.545 5.179 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(Cl)s2)C1=O)Nc1cccc(O)c1 731310530 JVRONKHZQVXTAX-SFHVURJKSA-N 489.981 5.407 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 731345275 KJOFZCBICVSHBB-UHFFFAOYSA-N 453.523 5.941 30 20 JKED C=CCOc1cccc([C@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c1 731360437 CVMZIEBVIQXNQL-HXUWFJFHSA-N 461.509 5.044 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 731377612 SYRXTRDRHDJJBM-LJQANCHMSA-N 497.576 6.198 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3ccccn3)C2=O)cc1 743523858 DTIRMVCBLOVGFW-QHCPKHFHSA-N 492.576 5.088 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(SCc2ccc(F)cc2)sc1=S 746050376 DFCNFOGIUOVQHK-UHFFFAOYSA-N 460.625 5.083 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)cc1 747599233 IESOKVYUJLJFNQ-NRFANRHFSA-N 464.616 5.229 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(SC(F)F)cc1 799210597 VAZUDDYDGHFEMY-SFHVURJKSA-N 477.558 5.184 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 818264162 MLJVKVSJTAGCMN-UHFFFAOYSA-N 451.533 5.151 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccc3C)C2=O)c(OC)c1 837542189 XIBRQCXNRVYBCD-DEOSSOPVSA-N 489.597 5.173 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C2CCCC2)C2CC2)ccc1Cl 913203976 TZWZKCDJJWKCKG-UHFFFAOYSA-N 493.456 5.922 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 914956566 JUIXRNCLZMWEFQ-SFHVURJKSA-N 490.560 5.025 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 915056979 BMNIJJHCOKSEFP-HXUWFJFHSA-N 461.635 5.165 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 915085772 BSXMHQUOCFRXOC-DEOSSOPVSA-N 467.598 5.579 30 20 JKED N#C[C@@H](C(=O)c1cnc(S)n1-c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 915101119 DBHKUWFCLXVTCA-INIZCTEOSA-N 454.939 5.567 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3nc(O)c4c5c(sc4n3)CCC5)n2)cc1 915102475 ZPJOTCRPABHAHN-MRXNPFEDSA-N 492.651 5.427 30 20 JKED O=C1CCc2cc(C(=O)/C=C/c3cccc(/C=C/C(=O)c4ccc5c(c4)CCC(=O)N5)c3)ccc2N1 915993146 KNUQAOROHBODBZ-QGVJZHQLSA-N 476.532 5.248 30 20 JKED O=C1/C(=C\c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CS(=O)(=O)c2ccccc21 916154288 HGLRMIMWIHTZRO-PTNGSMBKSA-N 455.875 5.094 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(CCOC)C1=O 916207075 XRVCYGRNCVKAOI-NRFANRHFSA-N 490.025 5.044 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(CC)cc1 916214624 PXMVEVXYOLUJNE-IBGZPJMESA-N 463.525 5.638 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(NN=Cc3ccc4ncccc4c3)c([N+](=O)[O-])c2)c(C)c1 916262881 UNERVPVPQPMAHA-UHFFFAOYSA-N 475.530 5.007 30 20 JKED N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916652504 ANQMBHYMDSPHSL-SNVBAGLBSA-N 482.776 5.491 30 20 JKED Cc1cc2occ(CC(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2cc1C(C)C 916654259 WMXVYWRZJKDIDN-LJQANCHMSA-N 459.571 5.873 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887153 LGECQMSONFJDKS-KRWDZBQOSA-N 475.517 5.457 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Cl)c(I)c1 916906303 GVIXHNMLKKOYSA-OAHLLOKOSA-N 480.733 5.031 30 20 JKED N#C[C@H](C(=O)CCSc1nc2ccccc2s1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944282 ASQGXUWZBPAWHQ-CQSZACIVSA-N 450.372 5.433 30 20 JKED Cc1cc(C)n(-c2ccc(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n1 917043784 NRJVKOKDAVSFSU-GOSISDBHSA-N 454.477 5.537 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 917404231 QEXCSMRBUUDYNE-UHFFFAOYSA-N 494.956 5.080 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cs1 917561868 AYSMUSRPQCEDIH-RGVLZGJSSA-N 466.563 5.475 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)cc1C 917614030 XGZFDHMWAGIDLD-UHFFFAOYSA-O 476.625 6.377 30 20 JKED CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cccc(OCc4cccc(C#N)c4)c3)SC2=S)c1 917644100 SSKSULYUROGHAB-CFRMEGHHSA-N 485.590 5.501 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2F)n1 917662953 HRDOPTRNEITPGE-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CC(F)(F)F 917698065 YNFUMZWIFHIZRQ-KRWDZBQOSA-N 455.546 5.096 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 917703009 YHWSLXLQIDMOBM-QHCPKHFHSA-N 479.577 5.366 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2C#N)cc1 917707262 VJVLHQCGDKJQNX-QHCPKHFHSA-N 499.983 5.244 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)cc2Cl)cc1 917876877 TXAVGJRSWRKJHM-UHFFFAOYSA-N 477.929 5.452 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 920355091 JXXVXCANFMHQTG-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 920355164 LOYCIBZGLTWBSO-BBVWWWHTSA-N 491.657 5.072 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 920357745 ZOSRBBGLXLNUII-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1nc(-c2cccc(NC(=O)COC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)cs1 920894977 ZNBXVAGYUNWFEE-UHFFFAOYSA-N 499.596 5.308 30 20 JKED COc1cc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)c([N+](=O)[O-])cc1OCC(F)(F)F 921259149 JETIXWPVNAWWRW-IUXPMGMMSA-N 481.452 5.053 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccnc(C)c3)cc2)CCC1)c1ccc(O)cc1 1786741785 KIXOTLBGLVKHGG-VWLOTQADSA-N 495.623 5.360 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cccc4cc[nH]c34)CCC2)cc1 1788650558 GBKAAEYIQHTMTH-VAWYXSNFSA-N 469.566 5.416 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)c(Cl)c4)CCC3)cc2)c1 1790074145 DZJLQAHYBOPODA-UHFFFAOYSA-N 495.366 5.330 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC1)NC(=O)OC(C)(C)C 1790294451 ATHKHOXERXWHCN-QHCPKHFHSA-N 495.595 5.433 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCC5CC5)c(F)c4)cc3)CCC2)CCC1 1792186817 NBBFGLZMFIWCNU-UHFFFAOYSA-N 461.537 5.056 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4cc(C)ccc34)cc2)CCC1 1792364597 ZSABVDCJXJNTMU-LOULHMMLSA-N 472.589 5.425 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4c3oc3ccccc34)[C@@H]2c2cccnc2)C1 1802412773 MQPBALXRFYSYNM-RXFWQSSRSA-N 465.553 5.267 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2)c1ccc(O)cc1 1802424158 MUGOGAAJLHTEBH-TWHAJKEOSA-N 490.600 5.195 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1802491976 JDDXACQKGMACDN-RDPSFJRHSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2F)[C@H]1c1cccnc1 1802777231 BSUOYTKUVXQFAP-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ncc(Cl)cc4Cl)C3)CC2)c1 1804742677 HIHQNRVAFXGYDV-QGZVFWFLSA-N 485.415 5.174 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)C1 1806014870 GXKPCZSPYWRCCM-UHFFFAOYSA-N 475.054 5.382 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1807210132 IMEJDTSGHNXOOX-ZDXQCDESSA-N 496.449 5.241 30 20 JKED N#CCC(=O)N1CCCC2(CCN(C(=O)CCCCCCCCCc3ccccc3)CC2)C1 1809026267 UZNZHNPMLNYRFV-UHFFFAOYSA-N 451.655 5.495 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(C)c3[nH]2)[C@@H]1c1cccnc1 1809750793 NLICSHHPCZTGCO-RDGATRHJSA-N 458.606 5.183 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)s1 1811748962 HOCCQXPDTSPPSN-LELLYZCJSA-N 491.016 5.010 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H]1c1cccnc1 1813059451 MCKKFDNRNATLAK-IADCTJSHSA-N 476.580 5.193 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1813869422 GLKJDBPUQLQPJI-KPIAOELHSA-N 498.602 5.046 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1)c1ccccc1 1814381256 NHMPBCMRFAMKCV-CPJSRVTESA-N 469.589 5.100 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)[nH]n1 1814828814 JSJPGHJVAQDALY-XMSQKQJNSA-N 452.521 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1819308950 JAEDQOMYLCMEGJ-HYBUGGRVSA-N 497.599 6.225 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)[nH]n1 1819310306 YEMPTRYGVVPBGN-FPOVZHCZSA-N 471.001 5.075 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3sc(C)nc3c1)CC2 1819600362 ZPCCWPYDBLUXCW-SJORKVTESA-N 466.632 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820099621 VUKIBCYSLGJJAL-XMSQKQJNSA-N 487.629 5.951 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccccc3F)[nH]n2)c1Cl 1820222671 DJIMIVCRBYNXKL-OAQYLSRUSA-N 479.943 5.013 30 20 JKED COc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC(C)C)cc3)[nH]n2)c(C#N)c1 1820838073 ZHOQOWGMNNAMQU-AREMUKBSSA-N 499.615 5.037 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)[nH]n2)cc1Cl 1821027029 QLQXZDDSYHZIKW-WIYYLYMNSA-N 479.046 5.111 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccc(Cl)c(F)c1 1821040395 YGDTZCSHBGEANX-GFOMBABLSA-N 486.956 5.009 30 20 JKED COc1c(C)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1C 1821229305 QPAUDXQRCOOQBO-JOCHJYFZSA-N 491.979 5.180 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)[nH]n2)c(Cl)c1 1821278843 YNJHUJWSQOIDNM-JOCHJYFZSA-N 472.936 5.036 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cc4ccccc4n3C)[nH]n2)c1 1823212411 SZPGGQNQLMWJQK-SIBVEZHUSA-N 494.599 5.077 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1 1824143030 GCFLAWDZWIEYTB-HXUWFJFHSA-N 464.437 5.390 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)CC1 1825553821 GVEZVLBQKYJKAY-DEOSSOPVSA-N 497.561 5.203 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)CC1 1826685780 XWNCZIWBSAXOMU-QHCPKHFHSA-N 468.041 5.075 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)CC1 1827263685 SBVDQZLLIOQQLC-AREMUKBSSA-N 495.067 5.465 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827519139 CYMOSTOWHQKHGQ-AVRDEDQJSA-N 487.044 5.164 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1828295779 WWLSIWSNJGRPKI-AREMUKBSSA-N 489.019 5.549 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1828351466 HPGYWIRQOGDLRS-XUZZJYLKSA-N 454.014 5.191 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828466238 XSFVMAHCFQUTOP-SFHVURJKSA-N 494.451 5.420 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1828830172 MDEVYHZVIGZYGU-ZEQRLZLVSA-N 492.582 5.716 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(O)c3cc2OC)CC1 1828831475 UZPVBGYPMCNFJN-JYFHCDHNSA-N 490.644 5.556 30 20 JKED C[C@@H](Oc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906790 HYROKJYAFIJEEQ-ZEQKJWHPSA-N 482.741 5.125 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccccc3o2)CC1)c1ccccc1 1829034627 AWQZCVGKFGJKBC-AZGAKELHSA-N 483.612 5.258 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829038836 SFTPHXNKISSTIT-SANMLTNESA-N 483.773 5.329 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 1830016680 LUOOHJPBTICVSK-QHCPKHFHSA-N 487.497 5.263 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c1Cl 1830028021 UBTVOUPKBJRSSX-QFIPXVFZSA-N 470.400 5.412 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830531324 BCQAVPGFXNHMAS-SFHVURJKSA-N 482.440 5.420 30 20 JKED O=C([C@H]1CCC=CO1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601796 IWPOFGHZXZBZNS-URLMMPGGSA-N 482.624 5.012 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830627549 ZPKDKKTUOAGCHJ-WUFINQPMSA-N 471.645 5.426 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)CC2)cc1 1830653878 GHLVKUIYUPKRKL-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C[C@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC=CCC1 1830755230 HJKURFCUGIGVCH-BVAGGSTKSA-N 487.566 5.557 30 20 JKED CC(C)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755948 QAMUYAKGIOMBGP-JOCHJYFZSA-N 463.544 5.247 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)c1 1830770604 CXXPUXFPEXSIMH-HSZRJFAPSA-N 488.613 5.130 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CC1 1830807441 YMMAJMQYTANWCF-RUZDIDTESA-N 477.555 5.169 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1831226488 XNADQKCFLJMDTE-AHWVRZQESA-N 490.047 5.369 30 20 JKED COc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)S)CC2)cc2ccccc2c1Cl 1831844338 RQZPVXXTGWNPBH-KKSFZXQISA-N 475.054 5.053 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1832628784 AYVNJNYYXQMGSL-FNZWTVRRSA-N 477.674 5.550 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4c(c3)CCCO4)CC2)c1 1832631726 HHIFLURWRZGYFB-DWACAAAGSA-N 499.655 5.115 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3onc4ccccc34)CC2)c1 1832633207 GRQPHNXZMLHOOZ-CLOONOSVSA-N 470.573 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 1832634889 QIAPYDNKBIZQGO-FQRUVTKNSA-N 478.036 5.443 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(Cl)c3C)CC2)CC1 1836583114 VTFPEFXCPMAVRU-QFIPXVFZSA-N 459.030 5.029 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3c(Cl)ccc(Cl)c3O)CC2)CC1 1836697343 IDLKZCGWANIQRX-UHFFFAOYSA-N 495.447 5.080 30 20 JKED C=CCn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10123580 ZGQYFJOPOVVATP-HXUWFJFHSA-N 483.565 5.216 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(CO)c1)c1ccc2c(c1)CCC2 10179318 IFUODHBLOKPPCV-UHFFFAOYSA-O 472.417 5.313 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(N(C)C)cc2)c(C)s1 10179403 WLIYHQZBOVFRHS-UHFFFAOYSA-O 479.478 6.076 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2sc(-c3ccccc3)c(C)c2c1=O 17131761 HODKMEJWXJUMRA-QGZVFWFLSA-N 486.622 5.610 30 20 JKED C=CCN(C(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18085198 ZEJCGYQUHKJVEW-UHFFFAOYSA-N 499.423 6.241 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 19165170 OXGVOPBVNXVTFJ-UHFFFAOYSA-N 469.522 5.420 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)s1 22695267 BGDWPFVDVVTOAR-UHFFFAOYSA-O 478.490 6.999 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22731254 CKPXPQDYLSEQCL-UHFFFAOYSA-O 461.651 6.455 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NCCc2ccccc2)cc1 22735254 FXVIJEKBMBHMQY-UHFFFAOYSA-O 472.461 6.005 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1-c1ccccc1 24014491 LYYXYDJQEZYPSZ-GOSISDBHSA-N 464.616 5.593 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 31272661 SRUUGTZFDIEHQU-UHFFFAOYSA-N 487.350 5.169 30 20 JKED CC(C)c1c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cnn1-c1ccc(C(F)(F)F)cn1 32963677 CMNYXSRFKLTVOS-UHFFFAOYSA-N 475.474 5.457 30 20 JKED CCc1cc(C#N)c(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)s1 108399541 WSAYEJYOTQZTMG-UHFFFAOYSA-N 477.970 5.052 30 20 JKED N#CCCN(C(=O)CCC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1 110939819 ZIAWXIOHKWJFLU-VWLOTQADSA-N 464.569 5.143 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)sc2nc(C(F)(F)F)ccc12 195557347 AEWHJTJZGMZBME-LLVKDONJSA-N 450.392 5.858 30 20 JKED C=CCOc1c(Br)cc(CNCc2cc3c(cc2OC)C[C@H](C)O3)cc1OCC 195569410 ATPGSIRUCZPHCR-HNNXBMFYSA-N 462.384 5.034 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2scnc2C)c1 252505374 LZNUJKGLURKJGA-FQEVSTJZSA-N 495.029 5.247 30 20 JKED Cc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1cccc(Br)c1 303416031 WMIMXPCQYXADBW-KRWDZBQOSA-N 464.150 5.245 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1)c1ccc(C#N)cc1 480943508 XSQLYTKYZGWIOF-GOSISDBHSA-N 482.565 5.077 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(S(=O)(=O)CCCC#N)cc4)cc3)sc2c1 498300704 GZCRTEMBRNMOPJ-UHFFFAOYSA-N 475.595 5.602 30 20 JKED C=CCN(C(=O)c1cccc(CSc2ccc(C)cc2C)c1)c1nc(C(=O)OCC)cs1 501938705 BCWDVILIQUABRS-UHFFFAOYSA-N 466.628 6.062 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 508360780 QQPYJIXTRUIOTE-VWLOTQADSA-N 484.987 6.747 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2-n2nc(C)cc2C)nnc1-c1ccc(Cl)cc1 512328920 NKLDLLFSQLBLDB-UHFFFAOYSA-N 479.009 5.318 30 20 JKED N#C[C@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 513668139 YQTAWUNFDKLPQJ-GFCCVEGCSA-N 474.394 6.287 30 20 JKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3Oc3ncccc3C#N)[C@@H](c3ccco3)C2)cc1 515446354 GRDCMAKQTJSUDP-XMMPIXPASA-N 477.524 5.437 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1Cl 516711143 NXABJCAOSLBDBC-GGAORHGYSA-N 477.923 5.103 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 517447189 CFWQQDOJMAINTO-SFHVURJKSA-N 486.626 5.312 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 517465373 CBMMAVLUDRBWBV-NZQKXSOJSA-N 457.599 5.367 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 518652803 DTNOPEYODYFBJC-MRXNPFEDSA-N 460.584 6.015 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1ccncc1 518682987 CSNYLOBAGMXKAH-OALUTQOASA-N 476.602 5.804 30 20 JKED COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1N1CCCC1=O 518762069 QHVYIUMMCPBFKC-UHFFFAOYSA-N 457.555 5.238 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 518870028 NYEDHBZXYOYBRX-HNNXBMFYSA-N 451.523 5.934 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1Cl 520933700 HCRVOKAPDMQYPU-VJTSUQJLSA-N 491.950 5.110 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1C 521306220 RACXCUBYQROLRX-UHFFFAOYSA-N 467.529 5.487 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(NC(=O)NC2CC2)cc1 521367094 ZSXXDMXYFSYXBZ-KRWDZBQOSA-N 455.518 5.517 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccccc3NS(=O)(=O)c3ccccc3)cc2)c1 521811282 ASUYPYNOXXMTEA-UHFFFAOYSA-N 498.564 5.473 30 20 JKED CCOc1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OCC 524382767 UHHQOPXZVMFTTA-UHFFFAOYSA-N 466.559 5.044 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C#N)c4cccc(Cl)c4Cl)CC3)c2c1C 524572890 ZZCSXPUMTXOFSD-QGZVFWFLSA-N 474.417 5.212 30 20 JKED CCN(C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)[C@H](C)c1ccc(C#N)cc1 603568119 RGQIQXWBACLEHT-LJQANCHMSA-N 476.540 5.230 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4cccs4)no3)cc2Cl)cc1 604027298 UWSOLUBQAGJUTK-UHFFFAOYSA-N 450.907 5.687 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc2Cl)cc1 604088074 ALTPZDOTUAUZKQ-UHFFFAOYSA-N 474.948 5.430 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 604099070 QMUGXNBNHUCGFR-UHFFFAOYSA-N 458.528 5.163 30 20 JKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 604526246 WJKYJCWIDQFJHK-UHFFFAOYSA-N 465.623 5.511 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)NC[C@H](c3ccccc3Cl)c3c[nH]c4ccccc34)cc2)c1N 608924304 JKHOUQKIFMMENR-JOCHJYFZSA-N 480.959 5.023 30 20 JKED N#Cc1ccc(N2CCC(NCc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)CC2)nc1 608983286 UFIWWWDPSAQEOF-UHFFFAOYSA-N 480.399 5.271 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(Oc2cccnc2)c(F)c1 609079029 GPEJGMIILVDBSM-UHFFFAOYSA-N 482.515 6.094 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 612877857 GPSLXOHCQRAPHM-LBPRGKRZSA-N 498.823 5.518 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403884 HUBNQHSXYSMPDL-CYBMUJFWSA-N 461.852 6.422 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5cc(Cl)ccc5s4)cc3)o2)c1 613404176 ZZISLOQPRGUOFJ-IBGZPJMESA-N 470.941 6.465 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613404403 LRHGBYBYQUGMEY-GOSISDBHSA-N 465.456 6.057 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618304771 ZCBFHEKDCADFRH-STQMWFEESA-N 482.421 5.651 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1nc(-c2ccccc2)cs1 641902391 YWVLBXDLRXAEQX-LJQANCHMSA-N 481.643 5.064 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1[C@@H]1COc2ccccc2O1 644448793 DRSOFQWBLDAETD-SFHVURJKSA-N 491.400 5.404 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 726392450 GVYWJAYMJVZPQM-LIRRHRJNSA-N 497.514 5.230 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCC(C)C)C2=O)c(OC)c1 726422260 UXYUXCAJZUVBGG-KAVHPSCTSA-N 489.663 5.201 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2sc3ccccc3c2C)c1 726570731 JLBBVUMITYSNTL-UHFFFAOYSA-O 477.034 6.654 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2Br)cc1 726571370 FPGYRBNKJMWSNZ-UHFFFAOYSA-O 485.814 5.893 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2cccc(O)c2)cc1Cl 726572353 ZPFXMNHEKGOTJD-UHFFFAOYSA-O 477.780 5.835 30 20 JKED N#C[C@@H](C(=O)CCCCCc1ccc(I)cc1)C(=O)Nc1ccccc1Cl 726857880 BCAPNRMAJOPLGI-KRWDZBQOSA-N 494.760 5.395 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1 727655576 YLZMGCXNMDLNAG-JLHYYAGUSA-N 477.586 6.603 30 20 JKED Cc1ccc(N=Nc2cc(C)ccc2NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 728159430 ZYKDGJQGSZGXOW-UHFFFAOYSA-N 461.547 5.163 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)nc2)c1 729173651 QMLFJQCPHMRWDM-UHFFFAOYSA-N 492.384 5.031 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2cc3n[nH]cc3cc2C)ccc1Cl 729368688 MSCMNMITAXQLJT-UHFFFAOYSA-N 498.967 5.297 30 20 JKED CC(C)Sc1ccc(Cl)cc1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 729410748 JHRORUQSPDSWST-UHFFFAOYSA-N 480.055 5.078 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O 729462679 MYNKQUHFCRNNCT-UHFFFAOYSA-N 464.356 5.139 30 20 JKED Cc1ccc(-n2c(-c3ccccn3)nn(CN3CCC(Oc4cccc(C#N)c4)CC3)c2=S)c(C)c1 729466843 BPNWHXZREGHSTP-UHFFFAOYSA-N 496.640 5.455 30 20 JKED N#CCOc1cccc(NC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)c1 730477298 FHZIICLUVRKPNO-OAQYLSRUSA-N 455.283 5.249 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944214 SXAMAXXBRPNUFD-SBUREZEXSA-N 492.576 5.341 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)c1 730944259 UYUVRAFQCHLSNY-CVDCTZTESA-N 458.587 5.420 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 731065997 JGEOGLWYJYHGQS-NBGIEHNGSA-N 498.608 5.428 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2ccccc2F)n1 731075804 KSGBOXHVEJFYIR-AWEZNQCLSA-N 455.536 5.139 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)CCc2ccco2)c1 731308792 PPJMVQSULZSESN-FDDCHVKYSA-N 477.586 5.275 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731312517 MGUXWQUNFNCAIE-QHCPKHFHSA-N 487.606 5.767 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S 745161822 GSDZBIARBMMLQU-UHFFFAOYSA-N 472.574 5.078 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)cc2F)C1=O 745584670 QDSPDDGGUMYYJJ-JOCHJYFZSA-N 499.514 5.273 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C)c1 746696024 KEGPWYJYUNJHBD-JOCHJYFZSA-N 453.608 5.080 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(CCOC(C)(C)C)C2=O)cc1 746697658 JCLDJTOEKNQLNE-FQEVSTJZSA-N 475.561 5.049 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccc(F)cc2)n1 748036614 PXFJBJTVBAXFKM-QFIPXVFZSA-N 492.576 5.007 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 750394921 JHMAUHCWXZRAQM-INIZCTEOSA-N 457.914 5.353 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(CC(F)(F)F)C2=O)cc1 799214587 DAACWWLGWBYTSU-LJQANCHMSA-N 479.524 5.306 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 837839960 XNPLINGYRHWTLI-VGOFRKELSA-N 462.550 5.251 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1CC(C)C 838507890 OOBVNVMDIUQOBA-IBGZPJMESA-N 490.423 5.074 30 20 JKED N#C[C@@]1(c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)CCCOC1 904670753 QNEIMZKDXYHXFW-IBGZPJMESA-N 450.804 5.168 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 915086350 UGSNALDAKYGUSN-MHZLTWQESA-N 497.664 6.383 30 20 JKED N#C[C@H](C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 915104932 XLYGBJIIDUSLKM-QGZVFWFLSA-N 477.467 5.660 30 20 JKED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(-c2ccccc2Cl)s1 915114027 ZQJNMKBYJFMZBG-LMVHVUTASA-N 481.426 5.483 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)c3cnn(-c4ccc(Cl)nn4)c3C(F)(F)F)cc2)cc1 915673925 HKUWYVAQGLBITK-UHFFFAOYSA-N 469.810 5.092 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(OC)cc1 916215635 WEWBGOXONFQZGM-HXUWFJFHSA-N 475.998 5.036 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccccn3)C2=O)cc1 916216581 WZMMFANGSWWUFY-XMMPIXPASA-N 488.613 5.258 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2CC)ccc1OCc1c(Cl)cccc1Cl 916301198 XKSWTVYCGXFXIH-UHFFFAOYSA-N 451.379 5.296 30 20 JKED COCc1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc2cccc(F)c12 916847690 TZSBSMITAQPJIB-GFCCVEGCSA-N 467.547 5.266 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1OCC 916849219 UAPQGQUDWSHXPX-QGZVFWFLSA-N 453.336 5.214 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 916901609 MFXAESASCWLORT-IBGZPJMESA-N 452.938 5.725 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1 916914814 VLRCTTXORRJFQF-OXQOHEQNSA-N 490.629 5.144 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccc(OC)c(Br)c2)cc1 916915220 HKBPWNZXZRPBIN-IBGZPJMESA-N 457.368 5.080 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 916926121 ZVTMFROGNAVMRL-HXUWFJFHSA-N 476.964 5.154 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916928242 XBDUJCUBIJPCLX-FQEVSTJZSA-N 479.319 6.280 30 20 JKED CN(CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)c1ccc(Br)s1 916975939 GRXKCVWDPJFMQV-CYBMUJFWSA-N 494.823 5.236 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045050 XPPVAWNJNPTPJN-HKUYNNGSSA-N 457.477 5.027 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNc3nc(C(F)(F)F)nc4ccccc34)cs2)cc1 917215137 ICJSRNDRLUUNJZ-UHFFFAOYSA-N 486.479 5.244 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C(F)(F)F)c1 917655484 LKYRQRLFPFGVLS-LJQANCHMSA-N 479.524 5.011 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1F 917664974 XPIADJQXNKLBCG-SFHVURJKSA-N 497.564 5.137 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 917680098 BZJGCPOURDEBCI-HXOBKFHXSA-N 491.592 5.008 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1C#N 917704110 FLZARQKRKQGAKM-HXUWFJFHSA-N 499.980 5.270 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccn2)c1 917712889 IRAHTZPPDBTPPJ-HSZRJFAPSA-N 476.577 5.505 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 918487491 UXPUTTFCHASYAZ-BEFAXECRSA-N 472.010 5.115 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCSC1=Nc1cccc(Cl)c1C 918552776 VIAQIWNWJPZAPH-UHFFFAOYSA-N 456.015 5.051 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 918709401 ICMKSJGTJBIURV-UHFFFAOYSA-N 461.494 5.267 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)c(C)c1Br 920106450 ZJTNGMZDZAMBHI-IBGZPJMESA-N 475.346 5.247 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 920352718 RERQSBONUZJKEY-RUZDIDTESA-N 498.608 5.283 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2c(C)noc2C)C1=O 920354922 INDKNDYJXYLUKZ-NRFANRHFSA-N 498.992 5.114 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(F)c(F)c1 920358980 FKWSDZBQHIDRBO-QFIPXVFZSA-N 494.498 5.136 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(-c3ccccc3)cc2)n(Cc2ccco2)c1C 920772068 KTSNYRLYWHTDKA-UHFFFAOYSA-N 453.498 5.080 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 920866816 KEGIUKXOHYENGZ-BEFAXECRSA-N 493.601 5.244 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(N2CCOCC2)cc1 920872472 UGFBDQHLJAGMDT-OAQYLSRUSA-N 470.573 5.051 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1C 920893782 HCPVMVMUKUNHFM-MRXNPFEDSA-N 468.916 5.057 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c(F)c1 921117951 HDQIPNGEDPDBSJ-UHFFFAOYSA-N 458.493 5.046 30 20 JKED COc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 921264272 PTIOHGIHJDJEMD-WJDWOHSUSA-N 451.881 5.328 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)c[nH]4)CCC3)cc2)cc1 1785796775 MZPQWEVEOYPFJZ-UHFFFAOYSA-N 480.490 5.286 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)COc4cccc(Cl)c4)cc3)CCC2)c1 1785991772 KNZXUDRWOWBIBZ-UHFFFAOYSA-N 459.933 5.038 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3F)CCC2)cc1 1786546727 XAEYXFMXODZBOD-QFIPXVFZSA-N 499.558 5.182 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cncc(C)c3)cc2)CCC1)c1ccc(O)cc1 1787433278 MRRWSBCFDOBRFC-JOCHJYFZSA-N 467.569 5.041 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787950215 SIRIJOKRBOZCIA-MNPUUQGPSA-N 487.644 5.072 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(F)c(C#N)c5)CCC4)cc3)[nH]c2c1 1788975773 HSRGUVUNCDYPKW-UHFFFAOYSA-N 496.542 5.178 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789170046 CVTAIVYNXJPTGW-NRFANRHFSA-N 481.637 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c[nH]c5nccc-5c4n3C)CCC2)cc1 1789455752 BZSOVFOFINWBQM-JOCHJYFZSA-N 481.600 5.522 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4c[nH]c5nccc-5c4n3C)cc2)CCC1 1790021318 CCGUZZTUNHBCJY-JOCHJYFZSA-N 481.600 5.522 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1790564291 WIBSYUPUHWSEOR-MRXNPFEDSA-N 466.969 5.370 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CCC2)cc1 1790565253 WXEXJERUHIWOTB-HXUWFJFHSA-N 472.589 5.539 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2)CCC1)C(F)(F)F 1792142968 VKWXGAFFQLUMOJ-UHFFFAOYSA-N 452.860 5.215 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(ccc5ncccc54)s2)C3)c1 1792940701 VZLSQDRONSJSOH-KOUNCHBCSA-N 494.620 5.206 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1C#N 1797879317 PKCFGJVANKFQAT-CSLWSCTPSA-N 477.649 5.204 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(F)cc1C(F)(F)F)C2 1798590816 OAIRCAWQMGNMSK-REPLKXPHSA-N 454.508 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc3ncc(Br)cc3c1)C2 1798590847 RXRIISUNODQIGT-KOUNCHBCSA-N 498.465 5.170 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)c(F)cc2nc1Cl 1799205497 ARKMSIQVWSTSQI-MHORFTMASA-N 473.951 5.187 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#Cc3ccccc3)C4)ccc21 1799316238 VDAZMHLOWMSDDE-QEIWAGNOSA-N 475.592 5.118 30 20 JKED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)cc1 1800278524 QWXZUKZCZNDKHW-UMNYJUJISA-N 499.561 5.251 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2ccc(C)cc2)[C@H]1c1cccnc1 1802495818 FMJOAQOXOUWMNN-RDGATRHJSA-N 465.663 5.181 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1802501413 XIJYHIDDPAGINU-SHQCIBLASA-N 488.676 5.384 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1802944581 ZKAZHQSUKNFKJF-LSYYVWMOSA-N 484.644 5.261 30 20 JKED C[C@@H](C(=O)N1CCC2(CCCN(C(=O)CCc3cccc(C#N)c3)C2)CC1)c1ccc(Cl)cc1 1805323550 GLNTXEZWWWBRAQ-OAQYLSRUSA-N 478.036 5.179 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1807467878 PSUVKLGUGKFKQW-OFSOJUDTSA-N 491.676 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c1 1807965783 PPSVBTNPZRUYGL-UWSIMGETSA-N 484.581 5.150 30 20 JKED Cc1cc(C(=O)N2CCCC3(CCN(C(=O)C#Cc4ccc(Cl)cc4)CC3)C2)c(C(F)(F)F)o1 1808400440 IFLDLBFHJZDSIB-UHFFFAOYSA-N 492.925 5.157 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c(Cl)c1 1808530525 PPCKNTQYNNXTDK-HUZGLQGISA-N 477.008 5.063 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809442587 WGNOZMFTACFXHW-UZUQRXQVSA-N 486.062 5.189 30 20 JKED O=C(CCC(F)(F)F)N1CCCC2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)C1 1809487201 RVJQETFRWZRNET-UHFFFAOYSA-N 468.413 5.032 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811252816 YNNKELVNJHRUEE-SXOMAYOGSA-N 499.561 5.012 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811272049 IJDYQYKJSYQBRM-NOZRDPDXSA-N 492.570 5.020 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1811997578 IMYLVVZAHYYSPU-REDKUUPNSA-N 460.405 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1812128637 GKMHOOZVGNKIHH-AUSIDOKSSA-N 464.635 5.245 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812303097 QSNMGNQSGBUXBM-ZVOVDXHFSA-N 467.569 5.513 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)[C@@H]1c1cccnc1 1812591033 YFYQPAKSUXVPIK-GMCSOHGKSA-N 485.628 5.015 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[C@@H]1c1cccnc1 1812592160 QHIBKIUHBMNPME-HRRBBWQUSA-N 493.611 5.157 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1813225785 ATMAIUSSUSUPEI-POURPWNDSA-N 473.661 5.256 30 20 JKED Cc1cc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)cc2s1 1813868465 OBQWINCFODSCND-ZYYUNJBMSA-N 497.624 5.193 30 20 JKED Cc1ccc(OCCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1814632063 ZPRZBWDUAPGRCQ-HSZRJFAPSA-N 491.979 5.018 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CCCCC3)[nH]n2)CC1 1817112865 DYIMXIGZWPPDER-NRFANRHFSA-N 480.012 5.261 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)[nH]n1 1819306851 HDWMOJXKPSSXDC-QAPCUYQASA-N 462.381 5.186 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC(F)(F)F)c(F)c2)n[nH]1 1820998179 FCQOQFWTTIFJMK-RDTXWAMCSA-N 482.478 5.008 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)n[nH]1 1821088114 SDFSQTOAWAYGHJ-CXAGYDPISA-N 452.452 5.086 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1)C(F)(F)F 1821989504 YICKFYGAZWZKDF-KBOKABMXSA-N 486.416 5.253 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1822404023 MZZFJDWGXUIFAX-QFIPXVFZSA-N 450.489 5.237 30 20 JKED Cc1cc(F)cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1822497491 GVRZFAOJWFIZHS-HOYKHHGWSA-N 473.552 5.033 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(F)c1F 1823195489 NLBCUIRVFRXGJP-HRAATJIYSA-N 477.515 5.243 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823213605 YMFZYNMHLNVYQX-LYQODANLSA-N 473.602 5.508 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c1 1823216658 YPGBXVQEMLBMJK-QRQCRPRQSA-N 479.943 5.449 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823683458 VATHLPUYAXDNOB-DYCVSJHOSA-N 473.617 5.116 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)C1 1823701343 HWZWQXOXIAVOHF-OAQYLSRUSA-N 468.947 5.558 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1823890565 ZEZVKGMNNLTRQH-LJQANCHMSA-N 469.935 5.142 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)CC1 1824156715 YVIICRNCKPTUEI-RUZDIDTESA-N 481.681 5.408 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1824393241 ZUCDPWDNHNBNTP-IBVKSMDESA-N 493.648 5.040 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824534806 ZYFXBYCLMGYPRS-GJXZLSSDSA-N 482.612 5.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825094393 VWJUDFFPYBQHRX-ADAXEVCTSA-N 459.634 5.569 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827343943 ILSACILGRLPXCI-OAQYLSRUSA-N 491.966 5.440 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1827385127 HJYYDNGRXXTSHI-CUNXSJBXSA-N 484.644 5.471 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)cc12 1828574838 CIHZNAFTVKMRHW-NDEPHWFRSA-N 482.628 5.214 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1828903844 NDMXLIQYTSDCTH-BURHJUHKSA-N 496.690 5.390 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1828906531 RSGNTHASUBPTCQ-DEOSSOPVSA-N 478.709 5.717 30 20 JKED O=C(c1c(F)cc(Cl)cc1Cl)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828999562 XDNXJRHSRRQKJH-PXGAOIJESA-N 494.394 5.078 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1)c1ccccc1 1829029310 AWJZNNHFOTUDLS-DSNGMDLFSA-N 470.604 5.239 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829570484 LIDWAFGCVFBIOR-JOCHJYFZSA-N 496.558 5.268 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1830016287 HXAXUUWLPHTXCR-PMVMPFDFSA-N 475.555 5.160 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1830016469 GEHRTQNYGQGROM-ILBGXUMGSA-N 476.020 5.175 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830102296 FZJKNPKWRJMTHG-SANMLTNESA-N 494.035 5.548 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1Cl 1830661573 FFVNNKPOLTUBBX-IFMALSPDSA-N 485.065 5.066 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCN(c4ccccc4)CC3)CC2)c1 1830766507 HQNJTECZZGFSDO-GDLZYMKVSA-N 498.671 5.017 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1830767023 ZXXYHCQKOGGFKW-OYUWMTPXSA-N 473.592 5.043 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)cc1 1830905328 RGEJCGQGDKOLNE-AREMUKBSSA-N 469.585 5.171 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1)C(F)(F)F 1831450825 GLVHTQYAQCYPNH-KRWDZBQOSA-N 485.959 5.302 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)cc3)CC2)c(Cl)c1 1831690001 CCALTGSEDRSVAU-VWLOTQADSA-N 481.999 5.217 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1831858569 XLDFRQUYTZGKLZ-RUZDIDTESA-N 456.590 5.039 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c1 1832390332 FSXMQCPPEVUZCV-RXFRCJIMSA-N 461.650 5.517 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cc(O)ccc4n3)CC2)c1 1832631231 BGEXZGNLAZZLFR-NGOKVRLYSA-N 496.611 5.115 30 20 JKED Cc1ccccc1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634360 QMSNRRLPCUTFGW-NEKDWFFYSA-N 471.645 5.488 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)CC1 1838373350 JWTXKDXZEAPDTP-QHCPKHFHSA-N 496.051 5.269 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(OC(C)C)cc3F)CC2)CC1 1838423911 PMVYQXNZGOPFAL-UHFFFAOYSA-N 488.644 5.218 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)c(Cl)c1 1844756855 LZKWDJNKNNXBFM-UHFFFAOYSA-N 473.935 5.149 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2)c1ccc(Cl)cc1 1845933181 WTHIWTWQEFKZLU-YADARESESA-N 464.009 5.224 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 10179315 LCPNZOIZPWJLSQ-UHFFFAOYSA-O 456.418 6.129 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836610 DMUSBSGHNCASMK-UHFFFAOYSA-O 480.387 6.563 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)n(C2CCCC2)c1C 10905354 ILYLDGCCVKNDMS-UHFFFAOYSA-N 480.565 5.234 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)nnc1-c1cccnc1 11188164 SZBOJQHZCSGRQV-UHFFFAOYSA-N 485.617 5.100 30 20 JKED C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 11209602 TYOVZCUFFUDRPD-GOSISDBHSA-N 459.600 5.423 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 11325486 TXFOGPCNWDMOEH-CQSZACIVSA-N 490.368 5.072 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(C(C)(C)C)cc2)c1 14872116 SOQZUYOCJPPDHK-UHFFFAOYSA-O 462.595 5.793 30 20 JKED COc1ccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2CCc2ccccc2)cc1 18282127 QHBXVHUGCWPPAS-UHFFFAOYSA-N 454.555 5.043 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 21668308 MWBODRSNAJLMGW-AWEZNQCLSA-N 480.487 5.320 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(C(C)(C)C)cc1 22693868 WUHDXJSQFYJLIR-UHFFFAOYSA-O 453.578 6.218 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccc(F)cc1F 22727316 YXABBMLIPKZYMQ-UHFFFAOYSA-O 456.494 5.082 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(CO)c2)s1 22730161 KBXKZSYAQDFXCB-UHFFFAOYSA-O 475.615 5.680 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 24378961 TZOBSCBVELNSIR-LJQANCHMSA-N 462.575 5.187 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccco1 25633229 YNWSESZRLFWHLR-NRFANRHFSA-N 450.589 5.092 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)nnc1-c1ccc(Cl)cc1 26037183 PKKIFHRWKOLBEU-UHFFFAOYSA-N 451.983 5.316 30 20 JKED CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21 196161531 CNKABJMPACFCMH-UHFFFAOYSA-N 460.511 8.193 30 20 JKED CCc1c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)oc2ccccc12 206338805 JPWUEKVYKHPIMT-LUAWRHEFSA-N 452.482 6.311 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(CC)cc1 255930395 HIRLONQGXBIZEX-INIZCTEOSA-N 456.999 5.378 30 20 JKED N#C[C@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(Cl)c1Cl 303393628 PGCALQRIKZBBPF-INIZCTEOSA-N 491.728 5.658 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCCc4cc(OC(F)F)ccc43)s2)cc1 476465370 VZVZRCCLZNSMKD-SFHVURJKSA-N 487.557 5.503 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Br)o3)s2)c(C(F)(F)F)c1 487358132 WUQNXKOGDWZIES-UHFFFAOYSA-N 456.243 5.232 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 490647875 JJTIAWCANKFJNE-UHFFFAOYSA-N 492.535 6.104 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1cc(Br)ccc1F)C(C)C 499241345 FPSPQOVOFWYSAW-UHFFFAOYSA-N 463.347 5.065 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 500765090 FILZPMOBTHJCCE-UHFFFAOYSA-N 478.570 5.250 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 501451626 JFBSODYEVGBYRF-UHFFFAOYSA-N 495.373 5.754 30 20 JKED N#Cc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)cc1Cl 503087466 RYFUCQOKLXOMIM-UHFFFAOYSA-N 494.182 5.736 30 20 JKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 505304020 LSXKNRXAJNLIPF-UHFFFAOYSA-N 479.584 5.580 30 20 JKED COc1ccccc1SC[C@@H](C)CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 505521331 VRENGOZPRQDVSK-SFHVURJKSA-N 462.619 5.247 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCC3(c4ccc(F)cc4)CCC3)s2)cc1 506660345 JRGNEPVMGKLIAE-UHFFFAOYSA-N 453.568 5.085 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCSc2ccccc2Br)cc1 508144217 CGBXQFVFABBELZ-UHFFFAOYSA-N 459.409 5.384 30 20 JKED COc1ccc(CCC2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CC2)cc1 510237462 DHQFEDMFQZHXGE-UHFFFAOYSA-N 493.658 5.587 30 20 JKED C=CCn1c(SCC(=O)N2CCC(Oc3cc(C)ccc3C)CC2)nnc1-c1ccc(Cl)cc1 511345093 QTMGWTALSJLGSR-UHFFFAOYSA-N 497.064 5.563 30 20 JKED C[C@@H]1CN(Cc2ccccc2CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H](C)O1 511423531 ZTILHURNNBMNIH-DHIUTWEWSA-N 498.627 5.263 30 20 JKED Cc1sc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)nc1-c1ccc(Cl)cc1 511856743 ZDWBYWOUKZNRSA-UHFFFAOYSA-N 471.913 5.141 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1ccc(C(F)(F)F)cn1 513187214 WHMNMFNRKKROHV-CQSZACIVSA-N 451.267 6.081 30 20 JKED C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nnc1-c1ccc(Cl)cc1 515098229 VLPQKTYUJZLNIV-UHFFFAOYSA-N 495.895 5.025 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(NC(=O)c4cccc(F)c4)cc3C)n2)cc1 516270340 SWXQRTOGGXKYMP-LJQANCHMSA-N 491.569 6.070 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 517309790 KTRAUNXRTHONKF-UHFFFAOYSA-N 487.987 6.112 30 20 JKED C[C@H](Oc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1)c1ccccc1 517475960 KEKDECFQMHIIEM-NRFANRHFSA-N 463.537 6.119 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cccc2cnccc12 518222688 ARROHTBTVRWXAM-LJQANCHMSA-N 470.945 5.391 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccccc2COCc2ccccc2)cc1C 518912548 XSQJZVTYCCJWQW-UHFFFAOYSA-N 478.596 5.727 30 20 JKED N#C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc(Cl)c1Cl 519485100 FIQNLXIILKZTHZ-IBGZPJMESA-N 496.322 5.067 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1noc(-c2ccc(Cl)cc2)n1 520817830 MRMFNFWPRVIZHU-CQSZACIVSA-N 458.996 5.514 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1occc1COc1cccc(C#N)c1 522572717 JYKDREUFGPVENT-OALUTQOASA-N 471.557 5.409 30 20 JKED CCc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523966755 IGHRDQBWDNOOIA-VWNXMTODSA-N 473.960 5.136 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1 559801695 ATZWNELTJXEAKP-UHFFFAOYSA-N 465.475 6.161 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)nc2sccc2c1=O 588636149 DOVGFUIUSBHEPJ-FYYLOGMGSA-N 478.639 5.212 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)N(CCC#N)c1ccc(F)cc1 597563445 QVAWSJJIZCTGPQ-SFHVURJKSA-N 475.549 5.153 30 20 JKED C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 598747120 XLLYHSZAYKWYDN-IBGZPJMESA-N 473.529 5.174 30 20 JKED CSc1ccc(-c2csc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 603560707 RXUOPKZKORESTG-UHFFFAOYSA-N 491.598 5.507 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 603739080 OYLDSOPFXSXKOY-UHFFFAOYSA-N 460.493 5.757 30 20 JKED COc1cccc(-c2cc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)n(-c3ccc(C)cc3)n2)c1 603760696 QSQWIIKODZPUHR-UHFFFAOYSA-N 481.556 5.017 30 20 JKED COc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)n2)cc1 604027413 YFABPZWOLDVXAM-UHFFFAOYSA-N 474.904 5.634 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1Cl 604084947 MROMIOQPHZUHLV-DEOSSOPVSA-N 495.970 5.964 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604139399 KFTAUJXFBKSYNU-BCHFMIIMSA-N 470.573 5.711 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1Cl 604141142 UMTLJGUADDZOQQ-SIKLNZKXSA-N 479.964 5.426 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccnc(Oc2ccccc2)c1 604361590 CEVYWNLYNRTTQJ-UHFFFAOYSA-N 450.498 6.168 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 608812018 COQABSHNVJSGHL-AREMUKBSSA-N 486.568 5.319 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(I)cc1Cl 608915673 TWTGDYZAVRMQTP-UHFFFAOYSA-N 453.711 5.259 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 608991601 JMTFAJTZLXLHBN-NIYFSFCBSA-N 473.646 5.586 30 20 JKED COc1ccc(NC(=O)CSCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609062923 KQYNAAYXSHUWIQ-UHFFFAOYSA-N 495.988 5.110 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)cc2F)c1 609123828 MSBTVOPHNJYTAT-UHFFFAOYSA-N 498.558 5.365 30 20 JKED N#CCn1c(C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc2ccccc21 609160139 LHBHCODMNGWDQT-UHFFFAOYSA-N 499.379 5.525 30 20 JKED N#Cc1ccccc1COc1cccc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 609432631 BUBASEMFQSJRNJ-OALUTQOASA-N 456.430 6.136 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)cc2)c1 609434140 XLGZSVISSFXOAT-QHCPKHFHSA-N 451.885 5.748 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(C)cc2)cc1 609438286 AZJKDVWUTCHSHS-KBMIEXCESA-N 473.598 5.242 30 20 JKED O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 612805779 QBDXPWDCLHFYPZ-STQMWFEESA-N 498.443 5.031 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 613401933 SONHNHBLNGZZFF-FQEVSTJZSA-N 483.478 5.783 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 613403185 BYIKDVDVWZMXNB-AWEZNQCLSA-N 471.485 6.119 30 20 JKED CCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccc(F)cc1 613405088 UULJAZREUCLHFQ-OAHLLOKOSA-N 458.440 5.692 30 20 JKED Cc1ccccc1-n1ncc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1C(F)(F)F 618303002 HSHUFXCKZYZPPD-RYUDHWBXSA-N 473.339 5.402 30 20 JKED O=C(Nc1cccc(OCc2cccc(F)c2)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618542524 RTAOZNXRULDOGQ-GJZGRUSLSA-N 464.381 5.999 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 726320428 XSVNHMZWEBKYNW-HXUWFJFHSA-N 456.502 5.106 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(OC(C)C)cc2)no1 726414927 GJHXBUGVIHYUAK-JOCHJYFZSA-N 496.564 5.070 30 20 JKED COc1ccc(C(C)=NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1NC(C)=O 726417630 OORCPUXQRCHEEQ-UHFFFAOYSA-N 458.893 5.036 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)c1 726573326 XMTCYSWMJPTYPA-UHFFFAOYSA-O 451.615 5.646 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3csc(-c4ccc(F)cc4)n3)SC2=S)cc1Cl 726626884 MGULLKBWTNCONH-IDUWFGFVSA-N 457.964 5.880 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1occc1COc1cccc(C#N)c1 726692476 YSRVZQVXNZRWBC-UHFFFAOYSA-N 460.530 5.773 30 20 JKED CCOc1ccc(OCC)c(N/C(S)=C(C(/O)=C2/N=C(C)C(C(C)=O)=C2C)\[n+]2ccc(C)cc2)c1 726964470 YFGCTXNTNKBPSM-UHFFFAOYSA-O 494.637 5.398 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@@H](C)c2cccs2)c1C 727252019 NRJMJZFYFVVXHO-SHZNUGFISA-N 495.674 5.171 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccccc3Br)cc2Cl)c1 728052377 CFCIYOYSAUUBAO-UHFFFAOYSA-N 470.754 5.604 30 20 JKED Cc1sc2nc([C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)nc(O)c2c1C 728062215 JXUKDMZIPZOKFM-CQSZACIVSA-N 464.978 6.291 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1NC(=O)c1ccccc1 728147085 PSNCBQWPOSWRRC-LJQANCHMSA-N 466.493 5.901 30 20 JKED N#C[C@H](C(=O)C[C@H](c1ccccc1)N1CCOC1=O)c1nc(-c2ccc(Cl)cc2)cs1 728412951 XUAXGFGDDPHSHR-UYAOXDASSA-N 451.935 5.223 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 728776671 SJIIPSVCDGCHAS-IBGZPJMESA-N 488.585 5.655 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 729632915 BLAYEJQKXFJEKS-JOCHJYFZSA-N 489.988 5.076 30 20 JKED O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 729878630 RKEKENWPLALOQO-CQSZACIVSA-N 458.305 5.094 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3ccc(OC)cc3)cs1)O[C@H](C)C2 730691312 IWDXIDYLRZAWSQ-QTLGSODGSA-N 474.582 5.521 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3cocn3)C2=O)c1 730711096 YJNFGOIMSDXDLI-DEOSSOPVSA-N 484.581 5.605 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cccs2)C1=O)Nc1cnccn1 730720217 HZEDJWYQMLKUFZ-INIZCTEOSA-N 492.413 5.005 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(Br)cc2n1 731075048 UOFXLNXUJDILQC-CQSZACIVSA-N 498.402 5.353 30 20 JKED Cc1ccc(-c2ncc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)c(C)c1 731077127 GHBWNPCXNCRIAJ-INIZCTEOSA-N 465.600 5.474 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cccc2c1=O 731332571 OPUNJIUOXVKAOK-KRWDZBQOSA-N 454.551 6.415 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc3ccccc3[nH]2)C1=O)NCc1ccccc1 746698007 RNBSEQAHSCLPOT-XMMPIXPASA-N 486.572 5.145 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 746698081 UBDOMRWMYFDQMC-LJQANCHMSA-N 495.979 5.394 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747002543 RCWOMLPZSBATKE-SBUREZEXSA-N 465.475 5.519 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C(C)=O)c2ccccc2)c1 762550241 WEQNTAKBIUTXQP-XMMPIXPASA-N 483.973 5.208 30 20 JKED CN(C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc2ccccc2c1 864094781 CGMUXBLABZQUJG-UHFFFAOYSA-N 451.551 5.719 30 20 JKED COc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1OCc1ccccc1 902041441 ZZEWXOUBSZGLEU-UHFFFAOYSA-N 488.594 5.542 30 20 JKED Cc1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)o1 914964258 PXORVPHWDAUGCX-CQSZACIVSA-N 469.588 5.027 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CC)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 915164868 VJKHQUJUFLDJTC-LJQANCHMSA-N 456.999 5.153 30 20 JKED CCOc1cc(CNCc2ccc(C#N)cc2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 915681738 HMIPVGPMTWGBAM-GIGWZHCTSA-N 475.633 5.053 30 20 JKED C=CCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1OCC 915852215 MUXOCHDTMGKQBP-GZTJUZNOSA-N 477.405 5.213 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2Cc2ccco2)c1 916207727 JOWPPDGMUGFNLI-HXUWFJFHSA-N 498.948 5.310 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O 916208930 AMNPDDGMZHUWGR-HXUWFJFHSA-N 469.950 5.102 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2ccccn2)C1=O)Nc1ccccc1F 916211575 PRSJATNSUKLSHL-NRFANRHFSA-N 482.968 5.077 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 916217246 IWWICHDHBIYRGA-GOSISDBHSA-N 484.380 5.129 30 20 JKED COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(OCC#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1 916411169 RUBGVWPEIHSPDD-BDYUSTAISA-N 469.541 5.029 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c1 916697117 YFDAZLBYXLKJDZ-OSQOMCJFSA-N 482.650 5.166 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2cccc(Cl)c2)n1 916887435 OLHKZURYBHQOCK-HNNXBMFYSA-N 463.918 5.739 30 20 JKED Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)n1 916904355 AYKZRQDVQHDXIQ-HSZRJFAPSA-N 450.498 5.243 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc1ccc(Br)cc1 916906904 KUZQXOQRVIFMKM-LIRRHRJNSA-N 459.409 5.402 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916915181 GEUODFOSBZAVHU-IBGZPJMESA-N 484.968 6.163 30 20 JKED N#C[C@@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc2ccccc2n1C(F)F 917041871 ZGPOVVNBTDUJRW-INIZCTEOSA-N 472.904 5.539 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S 917458059 QOTVJVFRGICNAU-UHFFFAOYSA-N 454.603 5.266 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NN(Cc2ccccc2)Cc2ccccc2)cs1 917544068 WHKVNGXRAPWFCA-UHFFFAOYSA-N 454.599 6.172 30 20 JKED CCOc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(Cl)cc4)n3)oc12 917560112 QYWNBCVCOQLXTC-FMIVXFBMSA-N 466.946 6.522 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc2ccccc12 917653758 REAICQROFIUUAA-XMMPIXPASA-N 475.614 5.453 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2C#N)s1 917700776 SXTQIVUOLBXZBM-HSZRJFAPSA-N 488.638 5.020 30 20 JKED CN(C)C(=O)COc1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 918713350 RBWUDJYSVPGEJZ-FMIVXFBMSA-N 460.477 5.192 30 20 JKED C[C@@H](c1ccc2ccccc2c1)N(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 919880895 YMBGKLQZWACQFG-FQEVSTJZSA-N 489.641 5.191 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F 920018834 XBSALSMQSQOQLG-UHFFFAOYSA-N 481.549 5.079 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Sc3ccc(NC(C)=O)cc3)n2)cc1 920138685 HPBDFKGMEQBMEA-JLTOFOAXSA-N 451.573 5.134 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2sccc2C)C1=O 920174554 UHEPPVQXLRQZNT-HXUWFJFHSA-N 493.610 5.224 30 20 JKED N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1 920323730 FYSGIBRVURIVSB-GLHMMKOYSA-N 477.608 5.355 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CCCO[C@H]2c2ccccc2)C1=O)NC1CC1 920354757 HTWYLLMTJKXIQX-OUOWLKGYSA-N 498.048 5.108 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cc(C)on3)C2=O)c1 920356071 NQWKOYKLZWZBHZ-NRFANRHFSA-N 484.528 5.039 30 20 JKED C#CCCOc1ccc([C@@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 920388637 ASTVFQMNOKIXAI-DEOSSOPVSA-N 497.517 5.497 30 20 JKED N#CCCn1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920907464 DXTCCRLDNGBAJO-AREMUKBSSA-N 480.480 5.153 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)C2)c1 1778867789 FESPIJNUORTUGE-MMTXMGLBSA-N 491.676 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)C1 1780015664 GNIHPUJNNIRINA-PIKZIKFNSA-N 489.641 5.108 30 20 JKED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2Oc2cccc3ccccc23)C1 1781176728 WOSZHLFBFUFLND-POURPWNDSA-N 484.596 5.336 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCCn3c(O)nc4ccccc43)CCC2)cc1 1786103273 OMKPYLHYYDMAKC-UHFFFAOYSA-N 486.616 5.425 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccnc4)cc3)CCC2)cc1C#N 1786928115 HVATWDAJMGEGSP-AWNIVKPZSA-N 480.568 5.202 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4csc5c4CCCO5)cc3)CCC2)ccc1F 1788397473 DJYPWXQRTPVIJU-UHFFFAOYSA-N 489.572 5.074 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1789456463 UQUOZGPPKANRBV-HSZRJFAPSA-N 494.595 6.339 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)n(C(F)F)n1 1789508166 SBBYOXVDALLABC-UHFFFAOYSA-N 486.639 5.385 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCn3nc(C)cc3C)CCC2)cc1)c1ccccc1 1789601101 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C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc(C(F)(F)F)c2)c1 1800399875 PESVBMYZZXFPKE-ZTVIYSTHSA-N 473.470 5.037 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2cccc(Cl)c2c1)c1ccccc1 1801140815 DVCDIXMEHNJGLC-KIHHCIJBSA-N 486.015 5.337 30 20 JKED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1802685627 ILORYWGIDKLDTI-QFLVKRMUSA-N 493.051 5.265 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802830410 MHHPDQXUOXIXQG-ZFJSRUIDSA-N 468.041 5.537 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccccc3)CCCC2)[C@H]1c1cccnc1 1802874996 MUNISBJUCYUZFT-WYMJOSIYSA-N 471.645 5.368 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1 1804813912 ZYDGUHCZBIXBGK-OBGWFSINSA-N 468.022 5.221 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)CC1)c1ccccc1 1806194101 VPEGERQSIDZPEX-CFSFKAJLSA-N 486.578 5.147 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)/C=C\c4c[nH]c5ccccc45)C3)CC2)c1 1806881120 BPYBLIKCTIQFCO-GMAFFVFYSA-N 480.612 5.353 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1807210129 IMEJDTSGHNXOOX-AKFKNWHVSA-N 496.449 5.241 30 20 JKED CC(C)c1csc(C(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)C2)n1 1807357860 OYXWNCKSIGBQCH-LJQANCHMSA-N 464.635 5.052 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@@H]1c1cccnc1 1809687275 DBAYAMBIECGYKB-CLOONOSVSA-N 496.533 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1810174037 LBXWTVYPODVRCI-LFAGZIFBSA-N 482.024 5.222 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1810179020 VXLGYNCUHNSCSG-XQFWAAQXSA-N 489.513 5.328 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccoc23)[C@H]1c1cccnc1)c1ccccc1 1810448920 ZXWISENAJDCHLG-NSVAZKTRSA-N 491.591 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1810489692 NFVLVXAWKPXRRH-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1810498678 OXAPBXBZMRBHQU-OYUWMTPXSA-N 471.645 5.277 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)C3)[C@@H]1c1cccnc1 1810500559 STPHYQXNROZIJM-ISKFKSNPSA-N 475.633 5.107 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@H]1c1cccnc1 1810503694 UGSLMEYMCOBSGN-ZEBZWOGCSA-N 485.550 5.211 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)s1 1811424048 FWLPTVCWDITFQV-UZXLYKSHSA-N 491.016 5.010 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@H]1c1cccnc1 1812955817 DVKWDFZUDPBAIY-CJFMBICVSA-N 498.454 5.320 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1813826610 SZFFXPPKJGVRJS-LGVFNWMJSA-N 451.998 5.131 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1815248843 KVXFAQDZPZMMAT-RDPSFJRHSA-N 491.617 5.411 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC(F)(F)F)n[nH]2)cc1C#N 1815572234 IBGCSUABLPRISB-LJQANCHMSA-N 491.514 5.107 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc[nH]c3c2)n[nH]1)c1ccc(O)cc1 1818488569 ABSFIKMSYWQRRF-RLWLMLJZSA-N 495.583 5.100 30 20 JKED C#CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)sc2C1 1818932113 YBJXLWHIGCOFAL-INIZCTEOSA-N 488.535 5.063 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccc(Br)cc3n2)n[nH]1 1819181778 DERFOTPVDDXSIW-VFNWGFHPSA-N 496.409 5.239 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sc(C)cc3[nH]2)n[nH]1 1821438048 PEFSLOKPNLFZGT-HXUWFJFHSA-N 451.596 5.335 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sc(C)cc3[nH]2)n[nH]1 1821440286 DKUAZMOIRCRETB-OXJNMPFZSA-N 451.596 5.335 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[nH]n1 1821923055 SUEOVXWJWOCQCY-KOSHJBKYSA-N 482.588 5.471 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)[nH]n1 1822392920 IDWDTSQXKCLRIV-OAQYLSRUSA-N 490.526 5.240 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1822581959 DONKGSOVKBPPEI-SFHVURJKSA-N 464.463 5.067 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)[nH]n1 1822583256 KXNGGBOSOIPPQI-ONTIZHBOSA-N 497.437 5.162 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823217782 XIBRZKXCOWNWRC-UZUQRXQVSA-N 459.525 5.104 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 1823681856 BMBNTJQQUOMNCF-NRFANRHFSA-N 470.038 5.139 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1823753934 PSKMMCTYFJLAQB-QHCPKHFHSA-N 489.664 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 1824035829 YMONWIPASMQJIW-POTDNYQPSA-N 452.614 5.317 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)ccn1 1824051499 MPSOLHIURQWFCQ-SANMLTNESA-N 486.660 5.117 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1824509731 FUDFJNUXANCHSX-IERDGZPVSA-N 486.962 5.183 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F 1826440175 CFKORAGAWRBDDF-LJQANCHMSA-N 493.353 5.110 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)c1 1826500244 PGAAIHBVAIYBDF-AREMUKBSSA-N 478.036 5.007 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccnc(C(C)(C)C)c2)CC3)c1 1827693845 MIFHDPWAUVXPMH-OXQOHEQNSA-N 487.629 5.002 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1828464129 YSIYGRAHFYAAQG-FDBFMKMFSA-N 491.676 5.163 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828686580 YVXYVOZPUPKVHM-NZQKXSOJSA-N 469.029 5.218 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnccc2C(F)(F)F)CC1 1828821741 RXSVXUJMMCWZKB-ISKFKSNPSA-N 491.598 5.421 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1828824575 LSCSXLJZXKMPEY-DANFDKMISA-N 477.693 5.439 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1828828915 AECAFAPLLMRSKO-NQIIRXRSSA-N 464.984 5.620 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1828829159 YVKIJPWTGUDFID-ZZXVIJKLSA-N 460.618 5.834 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1828890099 ZYVYSVCAXSZBKI-GOTSBHOMSA-N 495.491 5.119 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nccnc3c2)CC1)c1ccccc1 1829032148 JTINQFOVNVOLHG-LITSAYRRSA-N 494.639 5.060 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1829673356 OWXPXXIKTATFKW-WINIVTDRSA-N 486.591 5.481 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829838731 URDZNCOKHSPARU-LJQANCHMSA-N 495.567 5.071 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccs3)CC2)cc(C(F)(F)F)c1 1830755672 LDEROGFXHSUPEN-JOCHJYFZSA-N 489.563 5.115 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1830775413 XPEKXQOAGRFRHR-VWLOTQADSA-N 479.571 5.011 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831377251 WUDAAVZNEYIRRI-KKSFZXQISA-N 476.543 5.027 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 1836697112 QANJXIPAKVWOTC-UHFFFAOYSA-N 479.448 5.374 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3c[nH]c4cc(C)ccc34)CC2)CC1 1836698009 AEAWJEDCHXONLO-PKNBQFBNSA-N 489.660 5.257 30 20 JKED C=CCSCC(=O)N1CC2(CCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)C1 1845048722 OFTKQVCWIJKEAW-UHFFFAOYSA-N 495.664 5.160 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc([C@@H](C)C#N)c1)c1ccc(Cl)cc1 1847627258 CHSGHOCAARYUAM-MGKKLRQFSA-N 464.009 5.222 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc2c(c1)OCCO2 10179874 QMQPOPAIMIFDCI-UHFFFAOYSA-O 461.607 5.482 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc3c(c2)CCCC3)cc1 11127196 ZZCNTUZRDLMFKU-UHFFFAOYSA-O 479.669 7.180 30 20 JKED C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nc2scc(-c3cccs3)c2c1=O 11382800 TXVUAWLUXSWGTH-UHFFFAOYSA-N 479.652 5.050 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(Nc3cccc(F)c3)s2)n(C2CCCC2)c1C 12480078 ICIGWURFZISYIU-UHFFFAOYSA-N 470.599 5.557 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nc2ccccc2c1=O 15230980 UIEYKVXJNIDCNQ-HSZRJFAPSA-N 457.555 5.063 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C)c2C)c1 16031290 SBVFFCTYLALXDW-UHFFFAOYSA-N 485.005 5.599 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nc2cc(Cl)ccc2c1=O 18259777 HRRZEYIHKAIWCH-GFCCVEGCSA-N 497.001 5.647 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22695827 PNTFNRYIELPAIJ-UHFFFAOYSA-O 481.641 6.323 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22732342 HYBZVFXTXJELEA-UHFFFAOYSA-O 461.651 6.284 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1 23592212 VKRIOVBRPXGGJB-JTSKRJEESA-N 478.618 5.393 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCc1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2 26599563 QSOCSRRZGSHUBS-CQSZACIVSA-N 468.625 5.646 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccccc1 28786240 QAODVHBYWUZENG-OAQYLSRUSA-N 497.624 5.294 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2SCC(F)(F)F)CC1 32969539 BCFUABITBYTPPW-UHFFFAOYSA-N 476.480 5.316 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1 49757645 WWGQSIVGHNAJHD-JOCHJYFZSA-N 487.046 5.760 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1ccc(Cl)cc1 105331778 ZLYAHBJJIZTDCX-UHFFFAOYSA-N 474.417 5.619 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nc2ccccc21 303110119 KDNLKUMEMLJRDZ-RUZDIDTESA-N 451.530 6.089 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 303190322 FLBQMUCURUNUIZ-OAHLLOKOSA-N 453.539 5.174 30 20 JKED C=CCN(C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc(C(=O)OCC)cs1 409821144 LORGOHPLLBUZIC-UHFFFAOYSA-N 491.363 5.087 30 20 JKED Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n1 481087561 SVEQKPMCJPWAAR-UHFFFAOYSA-N 452.583 5.485 30 20 JKED C[C@@H]1CN(Cc2ccccc2CNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](C)O1 483058469 KHDITGMOLKZHOK-NHCUHLMSSA-N 471.626 5.249 30 20 JKED COc1cccc(NCc2nnc(SCc3ccc(F)cc3C#N)n2C2CCCCC2)c1 483121863 OYZNIAUIDWPTLR-UHFFFAOYSA-N 451.571 5.707 30 20 JKED C[C@@H](Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 501967532 HDGIBWFUXZIKJJ-OAHLLOKOSA-N 464.616 5.642 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccsc2)c2ccccc2)CC1 508512608 ZNXUPJWPMVDPTK-UHFFFAOYSA-N 458.543 5.318 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 509588431 OUGQHVXPSIVUGA-UHFFFAOYSA-N 492.373 5.541 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCN(Cc4cccc(Cl)c4)CC3)c2)cc1 509910259 IVHWJGXCDASRIK-UHFFFAOYSA-N 474.992 5.335 30 20 JKED C=CCOc1cccc(NC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 510037942 ASBIWJMQRZDFRJ-INIZCTEOSA-N 477.611 5.889 30 20 JKED Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)nc1 510041488 DVLTWTLDNLRHJI-NFBKMPQASA-N 487.991 5.582 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nc2sccc2c1=O 510310166 YJRDHQANSXFXPC-INIZCTEOSA-N 467.538 5.418 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511340410 XWMJXADDOCVKCX-GOSISDBHSA-N 456.571 6.166 30 20 JKED N#C[C@@H](C(=O)c1ccc(I)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 511747879 CRRITYKHLOHVBD-JTQLQIEISA-N 484.240 5.322 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)c2)cc1 511774357 DRRZHLFMALQCJI-XMMPIXPASA-N 492.000 5.139 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)c2ccccc2-c2ccccc2C#N)CCOCC1 513627335 PNJHDWKUKAOXMB-UHFFFAOYSA-N 460.961 5.365 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)c(C)c2)n1 517506875 WSNCZTKPGCRDOY-UHFFFAOYSA-N 467.595 5.276 30 20 JKED N#Cc1cc(NC(=O)C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)ccc1Cl 517829241 ZGPKOURYUMEMSF-UHFFFAOYSA-N 487.865 5.620 30 20 JKED CC(C)Oc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C(F)(F)F)c1 518168175 DLMRRNYKZNMPLE-OAHLLOKOSA-N 451.514 6.066 30 20 JKED CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 518658675 QLKHIJZQHQQZJJ-QHCPKHFHSA-N 482.005 5.278 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OCC(=O)N1CCCCC1 518731693 FYMVXLVDVAYABL-UHFFFAOYSA-N 499.567 5.393 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 518870029 NYEDHBZXYOYBRX-OAHLLOKOSA-N 451.523 5.934 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1ccccc1 519503499 ICCABQVNLKCBFT-UHFFFAOYSA-N 455.493 5.035 30 20 JKED C=CCN(C(=O)c1ccc(CSc2ccccc2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 519505915 BDZBAVHDEFLXEH-FQEVSTJZSA-N 455.587 5.344 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1 523920470 BAVQEZXNFHDKIV-DEOSSOPVSA-N 457.530 5.201 30 20 JKED O=C(CSCC(=O)Nc1cc(C(F)(F)F)ccc1F)Nc1cc(C(F)(F)F)ccc1F 536015288 HGXLLMIKPOFDIJ-UHFFFAOYSA-N 472.357 5.313 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCc2cc3ccccc3[nH]2)c1 558369579 ASAOAIPUFOGHCP-UHFFFAOYSA-N 479.989 5.133 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(CCc1ccccn1)Cc1ccc(F)cc1 588969621 ANVGNGDAIBRJHX-YRWFTTLQSA-N 491.451 5.885 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 603475154 DZRGPWXPCGGFKN-UHFFFAOYSA-N 464.352 5.130 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3occc3COc3cccc(C#N)c3)c2)c1 608805047 STTXDTMAZYNHEQ-UHFFFAOYSA-N 480.524 5.613 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2C(F)(F)F)cc1 609065050 TWGDUWFAUNUZRB-UHFFFAOYSA-N 476.458 5.903 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609073688 RLRJTQDJEZZMAN-UHFFFAOYSA-N 469.566 6.287 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 609085804 XRHAWVTVCWIVJW-IVZQSRNASA-N 483.540 5.579 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 609087246 DCPUMEKBVBCZDU-UHFFFAOYSA-N 488.906 5.288 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)c3ccc(Cl)cc3)CC2)c1 609186089 WYQNMJCIRKZSQS-BYXVTNLJSA-N 492.019 5.055 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1c(Cl)cccc1Cl 609387513 JQLYWDRDOJBTAP-CQSZACIVSA-N 455.432 5.996 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2nc(O)c3c(-c4ccccc4Cl)csc3n2)CC1 610566197 LGAVRGNQVQVHEL-OAQYLSRUSA-N 493.995 5.239 30 20 JKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1ccc2ccccc2n1 613292723 RXLLDIKQEKSISJ-OAQYLSRUSA-N 455.311 5.718 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)nc2sccc2c1=O 613438793 NNOPFRPRBMOJMA-JOCHJYFZSA-N 479.602 5.123 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H](C(F)(F)F)C2)nc2cc(-c3ccccc3)sc2c1=O 613960654 PANWMELNQHWSRS-INIZCTEOSA-N 493.576 5.204 30 20 JKED C=CCn1c(S[C@H](C(=O)N2c3ccccc3C[C@@H]2C)C(C)C)nnc1-c1ccccc1OC 639430009 VYGHYLJJHUQJQV-MBSDFSHPSA-N 462.619 5.234 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1nc(-c2ccccc2)cs1 641902368 WTMKONSIKQPRGU-UHFFFAOYSA-N 481.643 5.064 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 642282426 QJNIAFSYTGSVBW-HNNXBMFYSA-N 472.904 5.919 30 20 JKED O=C(Nc1ccc(F)cc1Br)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642690820 ITDIHBCRNOLNER-HTQZYQBOSA-N 451.180 5.619 30 20 JKED CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=S)Nc1ccc(C#N)c(Cl)c1 726481738 VMAGBAHVQLWIOD-UHFFFAOYSA-N 469.869 6.059 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O)Nc1cc(Cl)cc(Cl)c1 726716950 VIZVFRVDHCNVCN-AWEZNQCLSA-N 462.280 5.260 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 727999108 LSHLWMBLLIQWIB-UHFFFAOYSA-N 491.378 6.250 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc2c(c1)OCCCO2 728062263 LUGUIZRSKWGHAF-KRWDZBQOSA-N 477.948 5.391 30 20 JKED C[C@H](OC(=O)c1ccccc1Oc1cccnc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 728099414 RHBVZEMODIMMHI-INIZCTEOSA-N 461.543 5.260 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 728129929 MAACZPQEOZBFCJ-HOTGVXAUSA-N 453.530 5.601 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CCCCC#N)C2=O)c1 728778504 CVSBKVPIULTHEM-VWLOTQADSA-N 484.625 6.111 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3Cl)N(CCCCC#N)C2=O)cc1 728780401 SGTJASWIVFPJQN-HXUWFJFHSA-N 489.428 5.956 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 729146854 ZKNIBHHVMAIGHR-JOCHJYFZSA-N 486.622 5.765 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729888928 KLUDFIODLHBGND-NSHDSACASA-N 467.761 6.221 30 20 JKED O=C(O)COc1ccc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730436483 QBLHYFIVZSYZPE-KAMYIIQDSA-N 470.344 5.249 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(C3CCC3)C2=O)cc1 730460254 VXEBAJAUJWASRH-XMMPIXPASA-N 471.582 5.555 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCC1)c1cccs1 730461473 CSBOBUCHAJSCBS-WUXONCKRSA-N 493.010 5.252 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2cc(F)ccc2s1 730696608 YZWOOQKECKHZPE-AOMKIAJQSA-N 454.885 6.224 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)cc1F 730717734 AKRFWOHHHCUSHY-FQEVSTJZSA-N 486.956 5.244 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12 730919903 GDMHHRHFRNUKOG-QHCPKHFHSA-N 450.494 5.145 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N([C@@H](C)c2cccnc2)C1=O 730944515 XKGXABODBHJDOP-MBSDFSHPSA-N 474.586 5.120 30 20 JKED Cc1cccc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1NC(=O)c1ccoc1C 731073901 MSRBCXHYQUIYKK-MRXNPFEDSA-N 491.569 5.196 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731304035 FWCVIUPIHQJTJM-QHCPKHFHSA-N 471.538 5.299 30 20 JKED CN(CCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C(=O)OC(C)(C)C 742341191 AXGIUHZEQKUUPY-UHFFFAOYSA-N 482.528 5.210 30 20 JKED CCCCOc1ccc(C=NOCC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1OC 744036993 IUEKSCICZHXWDL-UHFFFAOYSA-N 463.578 5.112 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 745990823 JKHRZBKSPLOTHE-RTBURBONSA-N 478.401 5.133 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747000393 PIJRQBBXDXOUNZ-GAJHUEQPSA-N 465.475 5.519 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1nccs1 747603800 YBXRLYZGGGUZKH-LJQANCHMSA-N 485.034 5.308 30 20 JKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1sc(-c2cccnc2)nc1C 747610652 DNFWNIYYPOHDBU-UHFFFAOYSA-N 456.600 6.330 30 20 JKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nn(CN(CC#N)C2CC2)c1=S 747789223 GIOPALZVIIKEBC-UHFFFAOYSA-N 497.624 5.603 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3Br)C2)cc1 750688564 FHZNOBIPKDQYJQ-UPVQGACJSA-N 476.374 5.710 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C)n(CC(F)(F)F)c2C)n(C2CCCCC2)c1C 762742641 NNPKEGMLIGNUJA-UHFFFAOYSA-N 478.515 5.258 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)nc(O)c2C#N)cc1 802831837 UHSQKNBHUIZOKJ-LLVKDONJSA-N 475.357 5.156 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(C(F)(F)F)cn3)c2C#N)C1 844424629 JLYOMYIGCLCHET-CYBMUJFWSA-N 479.524 5.370 30 20 JKED CC(C)n1ncc2cc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)c(Cl)nc21 874060044 COVPKJHBZBZYII-UHFFFAOYSA-N 461.982 5.172 30 20 JKED Cc1cc(-c2nc(C)c(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)ccc1F 883977405 GREPBOPWMFKGCJ-CHWSQXEVSA-N 468.438 6.205 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccccc1COC(C)C 914538511 RAXIPOMPTMGTQR-HSZRJFAPSA-N 479.646 5.029 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(CC2CCC2)C1=O 915116516 IUTNIZRQLOURGL-JOCHJYFZSA-N 451.592 5.072 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915293953 VBQXLXHSRPLPNG-YWZLYKJASA-N 453.311 5.650 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(C3CC3)C2=O)cc1Cl 916210259 YWGBHMHFXLPCAY-SFHVURJKSA-N 464.374 5.125 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cs1 916266846 IYJDZVNPJTVHSJ-UHFFFAOYSA-N 452.539 5.534 30 20 JKED CCOc1cccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c1OC(F)F 916333149 FGKUNUDAYDYDKS-UHFFFAOYSA-N 459.305 5.423 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(F)c2)ccc1Cl 916401092 ACQCAADFMRXQRJ-UHFFFAOYSA-N 474.941 5.121 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)[C@@H]1c1ccc(OC)cc1 916848966 QMDDOWFBCLAODP-WCYRKSIYSA-N 455.558 5.200 30 20 JKED N#C[C@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995470 FOSZZBBCUBCGRU-MRXNPFEDSA-N 477.463 7.086 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3ccc(Br)cc3C2=O)cs1 917560224 JPNYANQTDVLKCM-LFIBNONCSA-N 483.387 5.947 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccnc(C)n3)C2=O)c1 917670235 MXQBAWRYSOSFKG-XMMPIXPASA-N 487.629 5.179 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)c1 917713025 KGYIQTNLYDPYNK-SIKLNZKXSA-N 487.572 5.228 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c1 917714297 RRKFIRIDINSVDG-SFHVURJKSA-N 485.478 5.611 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1 918631241 PRXSFVSHLKGNQL-UHFFFAOYSA-N 485.559 5.275 30 20 JKED C[C@H](OC(=O)c1ccc(COc2cccc(Br)c2)o1)C(=O)N(CCC#N)c1ccccc1 919395810 CCQNHBKFOHKORB-KRWDZBQOSA-N 497.345 5.113 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920108280 DSUGUWUAIVFVLY-GOSISDBHSA-N 453.267 5.342 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Sc3ccc(NC(C)=O)cc3)n2)cc1 920138687 HPBDFKGMEQBMEA-VBKZILBWSA-N 451.573 5.134 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)O)cc2C)SC1=Nc1ccc(Cl)c(Cl)c1 920171804 YTFPRHSLPLTWAM-SFHVURJKSA-N 492.384 5.146 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cc(C)on3)C2=O)cc1 920357355 XVMPVVLYBSCBRF-HXUWFJFHSA-N 468.966 5.105 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806425 LBDQHDDZYHZIPW-IUODEOHRSA-N 475.517 5.164 30 20 JKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)o2)cc1 920893155 PJNFWVGILJXPEZ-LJQANCHMSA-N 455.518 5.357 30 20 JKED CC(=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O)c1cnn(-c2ccc(F)cc2)c1C 920985623 TVENIDDCMJPCRU-UHFFFAOYSA-N 457.534 5.339 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC(F)(F)C4)cc3)CCC2)c(C(F)(F)F)n1 1785801845 ZWURHLFZPMJHMC-AWEZNQCLSA-N 492.448 5.155 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCC2)cc1 1785843029 PDDKTDABNFKUFA-JKHIJQBDSA-N 495.664 5.226 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)CCC1 1785943572 STANTQHZIQDNOD-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)CCC1 1786001629 DSWDBTFDMNHVRT-OAQYLSRUSA-N 456.542 5.309 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CCC2)cc1 1786365840 XHAOJVQOWPTYHA-INIZCTEOSA-N 492.925 5.074 30 20 JKED Cc1ccc(S/C=C/C(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)cc1 1788028866 PFELNJAULXTWLS-XMHGGMMESA-N 476.646 5.017 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982196 GYPWTLDDVWTFLL-UHFFFAOYSA-N 498.970 5.520 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccn4ccnc34)cc2)CCC1)c1ccccc1 1789311114 LVPWNUIJJFPNTA-RUZDIDTESA-N 476.580 5.279 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ncn(C)c3C(F)(F)F)CCC2)cc1 1789625862 BVGZMQMGRCZQEV-UHFFFAOYSA-N 462.516 5.179 30 20 JKED Cc1cc(Br)ccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1 1790148514 ZECJTYRUXCHTRS-UHFFFAOYSA-N 477.362 5.019 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc2)CCC1 1790772649 XENCBCORVXWMCJ-MSOLQXFVSA-N 497.661 5.338 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4noc5ccc(Br)cc45)cc3)CCC2)C1 1790990369 RLQPDYKCIKWNHE-UHFFFAOYSA-N 480.362 5.304 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1)C(F)(F)F 1791302902 FXNHDICGZASVNZ-PMVMPFDFSA-N 483.534 5.617 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)[nH]4)CCC3)cc2)c1 1792124832 LBHORASWXUJYBV-INIZCTEOSA-N 480.490 5.722 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)COc2ccccc2C#N)C3)cc1 1792974541 ARYRNIZTOCCLHQ-AORQLJSESA-N 485.628 5.021 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C\c2c[nH]c3ccccc23)cc(C(F)(F)F)c1 1794230470 GKHAJBZFFRZGHI-OBDVZOJMSA-N 492.501 5.024 30 20 JKED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ccccc3c2Cl)ccc1F 1797462907 KGZFHEZCKKPVPC-BCDXTJNWSA-N 481.980 5.060 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1802496275 HRZSRYIYDZNDSA-PXNSSMCTSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1802499850 JUALEYQTKWYSPC-AMGIVPHBSA-N 495.623 6.293 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1803087028 QEZMFDGKUYXVAL-WMZHIEFXSA-N 472.416 5.476 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1803608379 SFJAXGLOJUPJPF-LNXUECGXSA-N 487.625 5.255 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](c3ccccc3Cl)N(C)C)CC2)C1 1804866893 SVAUSVJRASADNL-QHCPKHFHSA-N 474.089 5.166 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1806594737 VOAKUOFTZUZNHA-QPPBQGQZSA-N 487.566 5.341 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1809473031 MBAZYPPCSTVYSZ-NQHRYMMQSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810171536 GKRRYGBOCQTEBF-BKCLZSIZSA-N 478.036 5.313 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5ccoc5s4)C3)CC2)c1 1810512402 KOHNJJLVNFUETK-GOSISDBHSA-N 461.587 5.280 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3c(F)c(F)ccc3c2)[C@@H]1c1cccnc1 1812241577 STJMFOUJAHBXCX-CPJSRVTESA-N 492.570 5.220 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@@H]1c1cccnc1 1812588030 YIWZAAJLAYOONQ-LQBOVUBWSA-N 476.543 5.015 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@H]1c1cccnc1 1812589357 BRMIPDFZDVERKB-NOOLENRPSA-N 485.628 5.310 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1814733104 GZAHONOZXOEGJO-QMHKHESXSA-N 491.979 5.053 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815218727 RRUXXHQARFINRN-HTAPYJJXSA-N 472.545 5.206 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C(C)=C/c3cccs3)[nH]n2)c(O)n1 1816239488 HQWTVKXETQFELN-XEPMYJLFSA-N 491.617 5.100 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1817097493 FVXUUNJNFDTCHE-HNNXBMFYSA-N 480.384 5.216 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818453964 GGZDICZNGGSNAG-DEOSSOPVSA-N 467.504 5.193 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1cc2c(Cl)cccc2s1 1818775222 RTDWZLRNBYOLOE-JMJNUIHMSA-N 495.992 5.296 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)cc1 1818813347 VCAUAHMBSYADAV-OTOIZHKDSA-N 465.513 5.047 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(F)CCCCC2(F)F)n[nH]1 1818889093 AMJMWRYXVREFLI-VGSWGCGISA-N 454.537 5.312 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)nc3)n[nH]2)cc1 1820037086 WHPFHFBMMBNGAY-AREMUKBSSA-N 490.567 5.157 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3Cl)n[nH]2)c1 1820188920 RENCDNCVUZDJRH-FQEVSTJZSA-N 499.905 5.156 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820217712 LRWBFWYNNSSGLO-AOMKIAJQSA-N 491.979 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)ccc2OC)n[nH]1 1820653978 HCCINGPOKRUMJD-LJQANCHMSA-N 458.990 5.370 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ncsc34)[nH]n2)c(Cl)c1 1821278148 NFVHPEANUVLENF-HXUWFJFHSA-N 490.976 5.164 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2O)n[nH]1 1821502757 SENVYXQKEZWRFI-LJQANCHMSA-N 450.539 5.160 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)CC1 1823669850 GWKYCOMIZYMRBX-RXVVDRJESA-N 464.437 5.390 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1824053396 WEWRZOMBDLBQCO-ZEQKJWHPSA-N 489.582 5.028 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1824393193 YTGSDOXDGVJROW-CLOONOSVSA-N 479.621 5.111 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCOc3ccc(Cl)cc3)CC2)c1 1824989501 SSBYAMJCLBYRJY-AREMUKBSSA-N 494.035 5.304 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1825095975 TWAHVWPUAIGOLZ-VTDLMFMNSA-N 494.639 5.742 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826677007 MSPWXUIUEPYSOW-KRWDZBQOSA-N 468.413 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc4ccccc34)CC2)c1 1828002514 LETAJYALTLQLEB-LYZGTLIUSA-N 480.612 5.409 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)ccc1F 1828009468 AXRCFOKUDOXFOD-MUUNZHRXSA-N 483.587 5.327 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c1 1828399671 BBYPZSYADJCGBY-FXSPECFOSA-N 494.010 5.388 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccn3)nc3ncccc23)CC1 1829600065 XOHQNWGOAGNSFJ-ZBLYBZFDSA-N 497.643 5.137 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CCC1 1830579006 QLJRZICWYDYAKB-HXUWFJFHSA-N 481.946 5.286 30 20 JKED COc1cc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1830586961 PKODVLIAUBHXQJ-IQGLISFBSA-N 495.570 5.148 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1830741121 VTSRPWQHEWWIDQ-JOCHJYFZSA-N 492.582 5.504 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)CC1 1831241131 DZSJLTVBDZIYCQ-ZEQRLZLVSA-N 473.057 5.279 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1831376030 ILTBGDVJQZREIE-HRAATJIYSA-N 454.508 5.290 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F 1831450409 UHYZPRVSOIZVHY-IBGZPJMESA-N 494.451 5.125 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)S)CC2)c1 1831845030 IDHRINWKTFDMHV-KKSFZXQISA-N 481.500 5.124 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832554994 LXQZTECXOJVGTO-NIYFSFCBSA-N 494.035 5.523 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)CC1)c1cccs1 1832557193 UTAMRKDLRKXTOW-BYUVYSIJSA-N 476.642 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)CC1 1832668974 LQQMFYWGEMGYMC-NFBKMPQASA-N 459.030 5.350 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(C)C)no3)CC2)cc1C#N 1832703359 KAHHEERQCGYPAL-DEOSSOPVSA-N 492.620 5.004 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1832932459 JYMQDSPFBICVFT-QTJGBDASSA-N 491.717 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1835682041 FGVYBWQGOJRJJY-QFIPXVFZSA-N 484.040 5.040 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)CC1 1836882664 GJPZNKPPDFBKBU-SANMLTNESA-N 496.673 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)CC1 1838289701 WYPQYSVMBOSQLL-DNRSQYFGSA-N 472.714 5.584 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)C34CCC(CC3)CC4)CC2)CC1)c1ccccc1 1838417423 BVPKNBXZKPALIL-QZLZOZNSSA-N 490.688 5.153 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)CC1 1838750787 TVZMJNGWYOWFOL-NRFANRHFSA-N 487.084 5.363 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(Br)c(Cl)cc2F)C1 1845455007 IIWOWHGJFQNJIR-UHFFFAOYSA-N 471.798 5.051 30 20 JKED COc1c(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](C)C#N)c3)C2)cc2ccccc2c1Cl 1846828507 KYYIGOKRFXUSFY-SFHVURJKSA-N 487.987 5.260 30 20 JKED Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C 2332240966 JIAZWHLCMNVDNY-UHFFFAOYSA-N 473.425 7.367 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2cccc(C)c2)c1C 10174416 WYAQLNIWXOTSII-UHFFFAOYSA-O 464.611 5.017 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCCCC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10438377 ALEJHTPGPHOWFP-MRXNPFEDSA-N 471.623 5.252 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 10826048 SDDPNMKNNQMJBO-UHFFFAOYSA-O 458.006 6.269 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)cc2)cc1 10832453 LTUBONYRPBCZCL-UHFFFAOYSA-O 473.996 6.860 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(SC(F)F)cc2)[n+]2ccc(N(C)C)cc2)c(C)s1 11114364 DYDKENUVAMYOHI-UHFFFAOYSA-O 492.662 6.084 30 20 JKED CC(C)Cn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2ccc(Cl)cc2c1=O 22054760 MXKHTJWXGBEMOL-ZDUSSCGKSA-N 487.050 5.247 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 22149587 DRWZYNMETXPIIU-UHFFFAOYSA-N 465.050 5.663 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 22730322 KUKNYSCRRIOJAW-UHFFFAOYSA-O 486.520 5.405 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nc2sc(C)c(C)c2c1=O 23405199 LLCVYKNQJLXGDP-HOTGVXAUSA-N 459.662 5.167 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nc2sc3c(c2c1=O)CCC3 23405433 QCWHJGMRHOSPGA-LSDHHAIUSA-N 479.627 5.237 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3scc(-c4cccs4)c3c(=O)n2C)cc1 23539467 NOFDUWOAWPZFSZ-MRXNPFEDSA-N 494.667 5.459 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1 23874575 QWCVXAXUBKMLGS-WXTAPIANSA-N 477.586 5.131 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccoc1C 26433782 GDGVGLBQMLPPPO-JOCHJYFZSA-N 464.616 5.400 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 68814899 VSABHPDWTFAGEN-UHFFFAOYSA-N 479.349 5.271 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 195551197 CNGAEJBLVZSKFB-LBPRGKRZSA-N 471.804 5.394 30 20 JKED CC(C)[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)n1nnc(-c2ccccc2)n1 195652835 YJNDXNAIGNFOGS-UYAOXDASSA-N 462.966 5.191 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)s2)cc1OC 195662728 YGGDXEIJDMXJDJ-MRXNPFEDSA-N 462.556 5.144 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 195722020 DOAQJGFWVARKEO-KRWDZBQOSA-N 459.933 5.097 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)Cn4cc([N+](=O)[O-])ccc4=O)c3C#N)C(C)(C)C2)o1 216317376 WXMZJXJSHQVAAD-YVMONPNESA-N 490.541 5.008 30 20 JKED Cc1csc(Sc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2Cl)n1 303114120 CMQQUOQGJRYQDI-UHFFFAOYSA-N 460.028 5.554 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1Cl 303241074 JSAMUOILYFEFHI-JOCHJYFZSA-N 462.336 6.485 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1 409792440 LKUVJDWTLWHZLZ-UHFFFAOYSA-N 482.515 5.980 30 20 JKED N#C[C@@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1 481833480 ZHIIKBYCRLKLRV-SFHVURJKSA-N 489.906 6.099 30 20 JKED CC(=O)Nc1ccc(Br)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483614283 MCJJALACOQPPSI-UHFFFAOYSA-N 450.292 5.324 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)s2)cc1 486668717 BKKODQMZTJKJHH-UHFFFAOYSA-N 471.439 5.201 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(F)c4)c(F)c3)CC2)c1 491334608 VGWILONKXAPIPQ-UHFFFAOYSA-N 490.510 5.298 30 20 JKED N#C[C@@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc(-c2c(F)cccc2F)cs1 501366424 WDKKCVLWBDRIMF-ZDUSSCGKSA-N 481.915 5.690 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1CN1CCSCC1 502589561 SSCWDKYXOGXTAT-UHFFFAOYSA-N 478.431 5.357 30 20 JKED CC(C)n1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccc(Cl)cc1Cl 502604019 YLGLOPSJGCXTEJ-UHFFFAOYSA-N 492.457 6.179 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c2nccn2C)cc1 510520130 XJUYNHMZELTCPT-RUZDIDTESA-N 467.529 5.312 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3COCc3ccccc3)c2)c1 511497144 KAYFGHUKDAYERD-UHFFFAOYSA-N 490.563 5.849 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)cc1 514060386 KDTMAUSXAAACMM-UHFFFAOYSA-N 472.376 5.285 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 518259340 JANZJYGZSOKEFD-JPYJTQIMSA-N 473.577 6.133 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cccc(OCc2ccccc2C#N)c1 518782391 WKAFKEOQUPFNKO-QFIPXVFZSA-N 468.601 5.244 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 518898450 DFNZXZPEZCMXMK-UHFFFAOYSA-N 483.494 5.027 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Cc3csc(-c4cc(Br)cs4)n3)CC2)c1 519137844 SWQIHPJFAJSJHL-UHFFFAOYSA-N 488.432 5.118 30 20 JKED Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4SC[C@H](C)C#N)c(=O)c23)cc1C 519413425 VFSCOUGYCREJER-MRXNPFEDSA-N 488.638 5.632 30 20 JKED CCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)c1ccccc1OC 519913340 TZQMHAKJLMAWTC-OAQYLSRUSA-N 457.574 6.345 30 20 JKED COc1cc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)ccc1O 521307920 KVHNBJZBLNBVLF-QFIPXVFZSA-N 461.949 5.906 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N(C[C@H]3CCCO3)c3ccc(Br)cc3)o2)cc1 524380350 ANAONVIPZXUCLR-OAQYLSRUSA-N 481.346 5.319 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(C)cc1 524431302 DDOFFOKEVXQCSK-QHCPKHFHSA-N 461.949 5.305 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccc(F)cc1 553300392 IYKHSAGQFACTHW-INIZCTEOSA-N 467.595 5.253 30 20 JKED COc1cc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)ccc1OCc1ccccc1 557224194 DTRGVDRLTPIHRU-UHFFFAOYSA-N 475.614 5.157 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)c1C 558749297 NYQGFSAITFYCFS-HSZRJFAPSA-N 484.581 5.208 30 20 JKED CC(C)[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 588309360 GXXZVCBBYAQKQN-QLFBSQMISA-N 464.372 6.175 30 20 JKED COCCN(C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 590376152 CFIXGDJZFMFIHF-LBPRGKRZSA-N 480.380 5.038 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 596363310 QUVUBTGTPZOQSX-GOSISDBHSA-N 488.523 5.383 30 20 JKED CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 603475173 MXSDGOBVYJIEQK-UHFFFAOYSA-N 455.583 5.015 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1Cl 603673327 FHMQLNIIYZZVOV-FQEVSTJZSA-N 468.900 5.090 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)cn2)cc1 604335899 DRGFMVWNNFHDLO-SFHVURJKSA-N 467.312 5.044 30 20 JKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 604519954 ULKWZVMPJFSQFB-IGKIAQTJSA-N 456.611 6.090 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)s2)cc1 608983365 AQOAYDGFLCBUJC-FQEVSTJZSA-N 473.385 5.518 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 608995935 MTXBPXQTTBRQRV-DEOSSOPVSA-N 465.456 5.243 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)NC[C@H](c3ccccc3Cl)c3c[nH]c4ccccc34)CC2)nc1 608997635 ROZGVLIAYAKXDO-HSZRJFAPSA-N 499.018 5.188 30 20 JKED N#C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 609028552 CRNSGLHWAYMYGJ-MHZLTWQESA-N 497.576 5.061 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCC(=O)Nc3cccc4cccnc34)cc2Cl)c1 609079691 ITFQICSYEDDUKE-UHFFFAOYSA-N 485.931 5.099 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)cc2F)c1 609105931 FTZDHEAQMJTVFT-UHFFFAOYSA-N 491.478 5.329 30 20 JKED N#Cc1ccc(CNC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)c(F)c1 609327281 FYZFFOAYBZHQJY-OAQYLSRUSA-N 457.274 5.035 30 20 JKED CC(C)(C)n1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2Cl)n1 609379307 XKQPYXFSAQOKKH-UHFFFAOYSA-N 476.024 5.178 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCc2[nH]c3ccc(Br)cc3c2C1 609385510 VFXKSEBQNIGBNH-OAHLLOKOSA-N 483.435 5.179 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(=O)N2CCc3sccc3C2)cc1 609431698 CBFRRACETPGOCW-SFHVURJKSA-N 491.638 5.358 30 20 JKED N#C[C@@H](C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 613404159 KBLNXZDYQYKRFY-HNNXBMFYSA-N 460.868 5.703 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1cccc(C(F)(F)F)c1 613407315 QJQOKKGBGFAILR-OAHLLOKOSA-N 460.868 5.953 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1SCc1nnnn1-c1ccccc1 624582364 IMBRJMDWBRUHQX-UHFFFAOYSA-N 482.034 5.498 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726321407 JMEBBBNGINAOOP-CYBMUJFWSA-N 467.831 5.583 30 20 JKED O=C(C[C@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 726398091 AJSCSNFHLHLNES-WLLYCRNASA-N 489.441 5.097 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCOC2CCCC2)c1 726410617 DLDZSFSQNHVQGF-DEOSSOPVSA-N 493.604 5.117 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)c1 726473587 MVUUHVDKANOZKC-UHFFFAOYSA-N 453.926 5.530 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2ccc(C(CC)CC)cc2)c1 726573095 ZOZODOZQWHBMEX-UHFFFAOYSA-O 467.614 6.929 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 726754629 OPLNHFNOMKCYGR-UHFFFAOYSA-N 467.369 5.238 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccccc2Cl)n1 727626453 CEASHNZYDPIARM-GFCCVEGCSA-N 450.734 5.731 30 20 JKED CC(C)c1ccc(Sc2ccc(NC(=O)C(=O)NCc3ccc(OCC#N)cc3)cc2)cc1 727947462 LYJRVCKTFVFQHC-UHFFFAOYSA-N 459.571 5.118 30 20 JKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c(C)n1-c1ccc(C#N)cc1 728272732 FWEGFDWUYVMVDL-UHFFFAOYSA-N 485.565 5.414 30 20 JKED C=C(C)COc1cc(/C=C(/C(=O)OCC)c2nc(O)c3c(C)c(C)sc3n2)ccc1OC 728696140 NRYAOLAOVTWNQY-LICLKQGHSA-N 454.548 5.081 30 20 JKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccccc1 729769097 NGESZIIJBLMSNX-RUZDIDTESA-N 453.498 5.019 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CCC2)cc1F 730461469 CQGDTSBIVCFASK-HXUWFJFHSA-N 491.972 5.009 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(C)c1C 730513913 QRDFDAPTFPMVGK-IBGZPJMESA-N 493.601 5.225 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1 730522798 RDRNYRUDCOXRLL-OAQYLSRUSA-N 451.523 5.142 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 730685621 AVOMOSMYJAMCDX-ZDUSSCGKSA-N 495.910 5.566 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 731060747 PKCNBLCUUWMBKL-SECBINFHSA-N 493.199 5.885 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1Cl 731106593 XYKDCKQKRVJWSK-AZGAKELHSA-N 477.967 6.112 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cc2ccccc2o1 731312852 QLSWGURMEMYBHO-XMMPIXPASA-N 496.548 5.171 30 20 JKED CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731399821 GBMALYFNCHZXPE-GOSISDBHSA-N 450.539 5.119 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)c1 744279903 NZWPTYAHEBJPIW-UHFFFAOYSA-N 492.988 5.364 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747000413 PIJRQBBXDXOUNZ-UZUQRXQVSA-N 465.475 5.519 30 20 JKED Cc1nsc(N(C)C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3-c2ccccc2)c1C#N 748235722 MZOWSFMTMUNRFD-UHFFFAOYSA-N 470.583 5.371 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 750396598 BSIRKPNEGVAISH-NVXWUHKLSA-N 488.794 5.193 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)cs1 750916202 KKTNOVHWYXSRCA-GZTJUZNOSA-N 470.566 6.663 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cn3cccn3)cc2)C1=O)Nc1ccccc1 766896230 MTFWGKRFXPAZFA-RUZDIDTESA-N 495.608 5.092 30 20 JKED Cc1cn2c(C=Nn3c(C)nc4scc(-c5ccc(Cl)cc5)c4c3=O)c(C)nc2s1 767035072 WMOVLOZVPQEOJX-UHFFFAOYSA-N 453.980 5.295 30 20 JKED C=CCOc1c(Br)cc(/C=C(/Cl)c2nc(O)c3cc(Cl)ccc3n2)cc1OC 810238437 PTIJYSBEOJKQLY-OVCLIPMQSA-N 482.161 6.062 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1 813338929 VMXBKTWTUATBPC-UHFFFAOYSA-N 486.503 5.058 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N([C@H](C)c3cccnc3)C2=O)c1 837299259 FKSCPTCFRUYUKS-NTKDMRAZSA-N 488.613 5.429 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N([C@H](C)c2cccnc2)C1=O 837404132 YZULZGJLXGMWGM-DVECYGJZSA-N 488.613 5.429 30 20 JKED CC(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2)CC1 837524009 NQRJYMAAYVLSEN-JOCHJYFZSA-N 485.053 5.173 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)c1 837642018 RFVZFOWPFCJONB-DEOSSOPVSA-N 478.662 5.137 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1Cl 887937126 LXZKYGIUCFBXNX-DEOSSOPVSA-N 473.001 5.869 30 20 JKED C=CCn1c(SCC(=O)OCc2nc3ccccc3[nH]2)nnc1-c1ccc(Cl)cc1Cl 901860666 OGSCGALHEJTIHX-UHFFFAOYSA-N 474.373 5.150 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc(Cl)cc2)cc1 912823710 WSBPYZFPFPAMRK-UHFFFAOYSA-O 452.987 5.284 30 20 JKED COc1cc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c3ccccc3n2)cc(OC)c1OC 914502489 VLESJHIWZYUNRO-UHFFFAOYSA-N 495.579 5.850 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2sccc2C)c1 914544149 VBNRIEZUYWBIEX-NRFANRHFSA-N 495.626 5.234 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(N/C=C2\C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1 915186014 AXCXJMDBIKLMJO-KOKXLYMNSA-N 456.505 5.377 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 915353604 PHBWALOLVKRYSV-NDEPHWFRSA-N 474.564 5.485 30 20 JKED COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1OC 916137731 PLOLKNKKZRAIPB-POHAHGRESA-N 456.325 6.159 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1ccccc1F 916205288 OFIIJEHZVUHSPA-NRFANRHFSA-N 451.498 5.125 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)cc1 916205679 JBPHUTKIFKRZSI-UGKGYDQZSA-N 487.572 5.228 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(OC)c2)cc1 916213251 CIVOXWWIAJPTNR-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@H]2CCCO2)cc1 916213477 DTEDBDXPZWPJSH-FYYLOGMGSA-N 465.619 5.005 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 916708108 JVZKEWFKUDWGDK-URLMMPGGSA-N 495.623 6.323 30 20 JKED Cc1ccc(Oc2ccc(OCC(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)cc1 916846826 GSIBVFQRTUBOBL-OAQYLSRUSA-N 485.565 5.632 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1C 916888279 VKRXPRDKJXSDKW-LJQANCHMSA-N 486.569 5.244 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)c1 916896281 DPCKUSPLFCVFMO-QHCPKHFHSA-N 475.508 5.009 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1OC2 916901519 JWTDYYFFKJFYLQ-HNNXBMFYSA-N 452.919 5.239 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 916935423 QEZOUJMPTWSUSP-LLCTXKFZSA-N 486.368 5.102 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C2SCCCS2)cc1 916944666 KOOQRVQOVDZIAV-KRWDZBQOSA-N 451.400 5.823 30 20 JKED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1 917035206 OOJRRAYDPIQGMF-ACUNGTFPSA-N 464.974 5.158 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 917119427 DXVFMENHEKVENG-NSOVKSMOSA-N 458.517 6.049 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917875711 ADJMGKWPTUFVEP-XMMPIXPASA-N 457.917 5.907 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H]2c2cccc3ccccc23)c1=S 919950030 DQVUSUPCBURVCG-VWLOTQADSA-N 461.679 5.576 30 20 JKED COc1cc(/C=C\C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1c(C)noc1C 920101773 IERAJKWEHGRJHV-FYJQUHEMSA-N 483.524 5.274 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)n2)cc1 920141071 LXYLUSCWESBXOY-GOSISDBHSA-N 460.465 5.424 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cc(C)on3)C2=O)cc1 920354049 YLNCBMBANBVSPV-HSZRJFAPSA-N 476.602 5.575 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C(C)C)c2)no1 920359051 GRGJAZPQHZNZQE-JOCHJYFZSA-N 480.565 5.406 30 20 JKED C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(OC(F)(F)F)cc1 920523586 LGRCZVZLHBWWBI-CQSZACIVSA-N 475.423 5.226 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)CCC2)cc1 1786367165 CQJYHTOLABTAAR-UHFFFAOYSA-N 485.968 5.287 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)CCC1 1787110553 SORANNKJHSXXCE-UHFFFAOYSA-N 498.649 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)C[C@@H]21 1788738051 MSIBIUBLOJFKDJ-TWDDROGUSA-N 475.073 5.052 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)CCC1 1788834804 LLJNHNXKVWLKGI-LQKURTRISA-N 484.581 5.270 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789153355 BTVPHOSVRYIBFL-NLSFWIRASA-N 467.997 5.379 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789167498 GSZLYAFLNWDJQT-OAQYLSRUSA-N 495.664 5.207 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cc2)CCC1 1789224154 JKOCXLCPTXPCRY-UHFFFAOYSA-N 479.378 5.228 30 20 JKED C[C@@H](Sc1cccs1)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1789417214 DHKZAISFPIWAEV-GOSISDBHSA-N 491.638 5.313 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCN3CCCCC3)CCC2)cc1 1789508757 HFGVSSMXIDFXAK-UHFFFAOYSA-N 467.730 5.048 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C3=Cc4ccccc4NC(=O)C3)cc2)CCC1 1790000700 XHELKQGWAGOSDG-UHFFFAOYSA-N 469.585 5.315 30 20 JKED CC(C)c1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)co1 1790082004 ZBJFIXZYLGVKGK-UHFFFAOYSA-N 462.937 5.385 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)[nH]n4)CCC3)cc2)cc1 1790289894 XTVQNWFXMZFGSK-UHFFFAOYSA-N 461.525 5.010 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)ccc1F 1790520177 IFIKGQDNCBVMMH-UHFFFAOYSA-N 472.545 5.231 30 20 JKED CCSc1cccnc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790521113 LZCJWTYFRKETQM-UHFFFAOYSA-N 488.588 5.195 30 20 JKED COc1ccc(/C=C(\C)C(=O)NC2(c3ccc(NC(=O)[C@H](C)ON=C(C)C)cc3)CCC2)cc1 1790568128 SHZZPRBCYSTABK-XJZVHDHVSA-N 463.578 5.034 30 20 JKED Cn1cc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5Cl)CCC4)cc3)ccc2n1 1790855722 MBDJNGXBOCQXCW-UHFFFAOYSA-N 483.959 5.160 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)CC4)cc2)CCC1 1790980813 PTZDCXOATAREKT-HSZRJFAPSA-N 457.574 5.087 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)cc2)CCC1 1790989466 WJIYTKHVQKQKRY-UHFFFAOYSA-N 496.533 5.869 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(OC)cc34)CCC2)cc1)C(F)(F)F 1791302642 DWMKGLAVGBZDKT-UHFFFAOYSA-N 457.452 5.043 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791731678 FTLFPCYUNSIVHP-FCHUYYIVSA-N 495.664 5.350 30 20 JKED Cc1occc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168223 ACOKXLJFCDKSLY-UHFFFAOYSA-N 457.530 5.308 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccccc3F)CCC2)cc1)NC(=O)OC(C)(C)C 1792206793 UHLXADAEOPQPMM-OAQYLSRUSA-N 495.595 5.433 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)c1 1802139031 KVZUSUMZNWNSDI-KOUNCHBCSA-N 496.438 5.168 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1803079886 QJGSTZKUFUKUAU-GGXMVOPNSA-N 482.628 5.037 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1803090502 HXKUNSQELHANRP-LMSSTIIKSA-N 496.655 5.577 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4occc4n2-c2ccccc2)C3)c1 1803681241 MRRLDYNXIJZTGJ-FHTJMNSISA-N 492.579 5.416 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(C)c3ccccc23)c1 1804621536 SYUPZXPXLZIINS-OOSCYNTBSA-N 465.597 5.213 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809442645 ANXOFQLFDFWPEA-DFBJGRDBSA-N 480.033 5.463 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1810173422 OPRRMJAOXXWIBZ-FTBPSBKWSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810175905 PKRKXVXKKHLBBY-UGZNWAIPSA-N 466.025 5.313 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810178042 LPSIUKSDHJPHDN-TXTKFYIRSA-N 489.513 5.328 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1810275472 XYFHXRFORBAMEO-WMZHIEFXSA-N 488.129 5.167 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1811058211 MTRNTEVGDAIXCF-NOZRDPDXSA-N 486.641 5.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1811185935 HYBPLDZOFNJGKQ-KZQOYIJHSA-N 486.660 5.160 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@H]2c2cccnc2)c1 1811800435 IAIXEAQLGROHIV-WDYNHAJCSA-N 486.575 5.254 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[C@H]1c1cccnc1 1813058235 MNDJXIFDTSCJJK-DCFHFQCYSA-N 489.019 5.058 30 20 JKED N#CCC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814162895 XYQBMRPJLXQRDO-WNJJXGMVSA-N 474.649 5.365 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OCCCC(F)(F)F)cc3)[nH]n2)C1 1814397848 WVUSUWFMAROZEP-NRFANRHFSA-N 490.526 5.403 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)[nH]n1 1814569081 DEOVSFOVECMAOG-HXUWFJFHSA-N 494.393 5.181 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cnccc2C(F)(F)F)n[nH]1 1815793859 PGOPIZYBDCKVNQ-GHTZIAJQSA-N 489.542 5.217 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)cc2c1 1818567819 ZTZDPZDAODAZEO-CJAUYULYSA-N 480.572 5.446 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4[nH]ccc4s3)n[nH]2)c1 1818791558 NFBXPRYOOXFPET-YWZLYKJASA-N 472.574 5.199 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1)c1ccc(O)cc1 1818809892 JMCFFCLHBIFMHR-FBLLAGFSSA-N 474.605 5.051 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1819385314 QVIAOQUOGJELKN-XMMPIXPASA-N 487.680 5.315 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)[nH]n1 1819552328 KFWCOWBVCMOHHV-DEOSSOPVSA-N 477.653 5.311 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(Cl)n2)n[nH]1 1819967263 FDENTABQVZDKKG-GOSISDBHSA-N 462.381 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)n[nH]1 1820841205 QQFYKHXXXRCTQO-GGAORHGYSA-N 491.592 5.200 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)ccc1F 1821118679 HGPYIGDPJUJHGV-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3c(Cl)cccc23)n[nH]1 1821392854 KEPUPVZASAROBM-SFHVURJKSA-N 468.989 5.238 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)sc2c1 1821527197 AUQRILHEBQIFRR-JOCHJYFZSA-N 483.597 5.619 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1 1821858108 IKIHRAQQKOAODR-NRFANRHFSA-N 493.435 5.324 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccccc4Oc4ccccc4)sc3C2)C1 1821907884 HPNXULZCZPUYRG-GOSISDBHSA-N 459.571 5.127 30 20 JKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)CC1 1822222992 YGYXCUFSGYAGBV-APTRMMRNSA-N 461.610 5.123 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)[nH]n1 1822383135 XGMOCVHZSHGAIH-ABAIWWIYSA-N 493.452 5.011 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3F)n[nH]2)c1 1822969248 ZFFHDANUCCXCDT-KOSHJBKYSA-N 473.552 5.115 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)c1 1823211489 NMMHUGUVEJTDNP-CCLHPLFOSA-N 491.595 5.739 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)[nH]n2)c1 1823215045 MBWCAOFFPWXZMX-VGOFRKELSA-N 467.529 5.403 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)CC2)c(Cl)c1 1824650051 REKXQUQELNSSLX-IRLDBZIGSA-N 477.983 5.270 30 20 JKED Cc1scc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1826183911 IPELNUVFKKCCKB-BVZFJXPGSA-N 463.647 5.539 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ncccc34)CC2)c1Cl 1828028678 OTLGWXJSUJHWGR-RUZDIDTESA-N 487.003 5.307 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)CC2)c1Cl 1828319399 XHTUIMMUAJBXBB-HSZRJFAPSA-N 474.992 5.240 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1828827652 QMCCEMOFQSCZTL-RDPSFJRHSA-N 483.056 5.147 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1)c1ccccc1 1829032072 IXFRFDWIAUNCJK-XZOQPEGZSA-N 467.009 5.364 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829350058 BNVGSOUIZQVPFR-JOCHJYFZSA-N 463.544 5.102 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)c1 1829675937 MEQOSOGISDIPKZ-IZLXSDGUSA-N 487.644 5.240 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829954518 GPILCNLZZLZELX-OAQYLSRUSA-N 473.495 5.026 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1830153798 FWUZJKKSYWDEGU-GBXCKJPGSA-N 483.056 5.147 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1 1830627537 YTZCNAYYYVHWPP-NDEPHWFRSA-N 495.623 5.218 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)cc1 1830629163 RNQREPIIXPDKJS-SANMLTNESA-N 489.019 5.434 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1830712738 LPRONSBYMIZBMZ-IBGZPJMESA-N 498.496 5.312 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)c(Cl)c1 1830721732 NIJUHRSVZSTEIX-QFIPXVFZSA-N 459.993 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccn3c(C)cc(C)nc23)CC1 1831051892 KIHVIMVHCIZRCL-XMMPIXPASA-N 464.654 5.177 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307127 NGZVCCJCHGXSPJ-JOCHJYFZSA-N 483.505 5.465 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1)C(F)(F)F 1831452013 RFEWHOILYOGBII-QHCPKHFHSA-N 458.524 5.121 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1832634121 HXIHDWLZBWPRGU-CPJSRVTESA-N 474.649 5.486 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CCC1 1832787312 UQAOIQVTTNIEGO-IBGZPJMESA-N 482.839 5.574 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)CC1 1838375079 WGFCLJORKXGECQ-RUZDIDTESA-N 485.068 5.139 30 20 JKED Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)c(Cl)c1 1838821459 BZRZQUBZXBYMMC-HXUWFJFHSA-N 494.035 5.202 30 20 JKED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)c1 1844653918 NJZRCJJQPXTJEZ-UHFFFAOYSA-N 494.620 5.218 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC12CN(C(=O)CCCC#C[Si](C)(C)C)C2 1845534720 YOKJGDZIXRUFNX-UHFFFAOYSA-N 465.497 5.170 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc4c2oc2ccccc24)C3)cc1C#N 1846879736 XWLIXVFXEOFXDU-UHFFFAOYSA-N 493.563 5.376 30 20 JKED CC1=C(/C=C/[C@@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O 2048531855 JLLGIYCYBIMFNP-JFINYQTFSA-N 466.706 8.128 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)cccc2c1=O 9459584 NQMFOOLPXMYKSB-HXUWFJFHSA-N 480.520 5.261 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2C)nnc1-c1ccc(Cl)cc1Cl 9825658 WSXHGJKOIXNENP-HNNXBMFYSA-N 461.418 5.716 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173448 KOKWUQCYBNHFTD-UHFFFAOYSA-O 486.060 6.832 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1 10323277 XIKXTUBMMBTNPQ-UHFFFAOYSA-N 481.647 5.516 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n1 14326779 XXFJGPQRJHBCHO-SFHVURJKSA-N 493.614 5.156 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nc2scc(-c3cccs3)c2c1=O 14676102 CCXWFXQQNKOVAF-UHFFFAOYSA-N 475.020 5.152 30 20 JKED N#CCC[C@@H](C#N)CSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 15234189 AXVQAGJWEDMXBR-SFHVURJKSA-N 466.408 5.486 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 16659269 WGPZSNAHYQROHV-UHFFFAOYSA-N 496.637 5.101 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OCC)nc2scc(-c3cccs3)c2c1=O 16986884 JZFAXRSYQRGLGG-HNNXBMFYSA-N 497.667 5.891 30 20 JKED C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(Br)cc1 17703820 FNQNCSSJHMOMBZ-LJQANCHMSA-N 469.408 5.006 30 20 JKED C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 21643283 CQCIUJJNLKEBCO-GOSISDBHSA-N 491.617 5.621 30 20 JKED Cc1cccc(-n2c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2c[nH]c3ccccc23)c1 22117254 WHTPLRZUKPNISJ-DWXRJYCRSA-N 472.618 5.259 30 20 JKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c2c1 22154387 FQZTXDGJHFBPOT-UHFFFAOYSA-N 467.550 5.621 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nnc1-c1ccc(OC)cc1 22160723 ZVSJCYINYIHREP-UHFFFAOYSA-N 491.642 5.378 30 20 JKED C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 22879603 UIJWZJPTVQYVJF-SECBINFHSA-N 476.398 5.330 30 20 JKED COc1cccc(NC(=O)CSc2ccccc2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 24449289 DEWVOHATKFNFAR-UHFFFAOYSA-N 498.526 5.226 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc(OC)c1OC 36650648 JIBZYJHGRAVYHD-UHFFFAOYSA-N 474.435 5.549 30 20 JKED N#C[C@H](C(=O)c1ccc(I)cc1)c1nc2cc(C(F)(F)F)ccc2s1 39776260 AYJKPMSPDQOGSC-GFCCVEGCSA-N 472.229 5.410 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 46667745 DGKXUJZSFOZERW-NRFANRHFSA-N 462.509 5.199 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 97544596 BQGHRILQUOAPKY-UHFFFAOYSA-N 468.947 5.639 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 107877279 RULKJUQHWPBUED-OAQYLSRUSA-N 457.877 5.342 30 20 JKED COc1cc([C@H](C#N)NC(=O)COc2ccc(Cl)cc2C2CCCCC2)cc(OC)c1OC 110573697 XNQSOIFVBJEHQQ-FQEVSTJZSA-N 472.969 5.173 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)n1 115498057 OZCDYSIHIWUHSP-UHFFFAOYSA-N 474.586 5.407 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1nc(-c2ccncc2)cs1 195662689 MATMVNGULZYWPU-INIZCTEOSA-N 466.385 6.186 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2cc(Cl)ccc2s1 195664275 MOLFWARJOAUCGR-UKRRQHHQSA-N 492.815 5.985 30 20 JKED Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1NC(=O)c1ccncc1 302944061 BGTWQVYMBMIYCY-UHFFFAOYSA-N 464.550 5.918 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 303195551 NEAIFPHUYKVCMD-UHFFFAOYSA-N 481.346 5.559 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 303295676 XVQMFGGOFDHOGY-UHFFFAOYSA-N 482.700 6.358 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)O[C@H](C)C2 409803515 CAGSJYPMIDTGGC-LAMXGVLKSA-N 481.552 5.275 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)c1ccc(C#N)cc1 481134904 KHOPRFQYOZKCBX-CQSZACIVSA-N 471.410 5.324 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnn(-c2ccccc2F)c1C(F)(F)F 485981699 IOZYXWASZWSXQR-UHFFFAOYSA-N 451.729 5.955 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)c2)cc1 485990185 MTSNJHCMOXJQCN-MUUNZHRXSA-N 475.548 5.441 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 487034215 TUHMLASPSQOFEM-FQEVSTJZSA-N 496.592 5.844 30 20 JKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC3)CC1 489474988 BXGWWGOGZSSDAE-CAPFRKAQSA-N 452.514 5.396 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)c2ccc(F)cc2)c1 498798286 WERVDCXDJFAQHM-UHFFFAOYSA-N 472.969 5.527 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)cc1 502717042 VPMWXESHAUJSQC-RUZDIDTESA-N 495.604 5.476 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1 505130705 OTAZPDBZXXMGTF-HSZRJFAPSA-N 492.000 5.156 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnc1-c1ccccc1C 507888799 NBCNGQNLFPWSKE-UHFFFAOYSA-N 469.570 5.668 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1F 510913406 DSACYAYPJXLEGX-UHFFFAOYSA-N 472.520 5.096 30 20 JKED C[C@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 512869334 QOIBXRYUKUSMNJ-JTQLQIEISA-N 483.764 5.600 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(Cc1ccco1)c1ccccc1C#N 512951675 URYVHYSFOOSQOW-KRWDZBQOSA-N 477.973 6.315 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC2 514514590 GLBGGEXWALMZCP-DEOSSOPVSA-N 461.587 5.746 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 514961337 YCUAATSUODQFFO-CYBMUJFWSA-N 452.605 5.575 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)CC2)cc1 516695535 KVHJZCIPPKMFHT-XMMPIXPASA-N 465.022 5.280 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 518683176 KZCBRRPNEXLNRK-OAHLLOKOSA-N 463.529 5.143 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1 518755223 AMZHKZNLAUPSHH-HXUWFJFHSA-N 456.546 5.270 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 518889521 SQRCCODUJQLVFT-INIZCTEOSA-N 467.447 5.544 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)s1 519442651 SZTZSKPIUQELTA-LJQANCHMSA-N 491.682 6.351 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCC(F)(F)F 519451572 GZDITKWKDLJESS-AWEZNQCLSA-N 453.486 5.210 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)n2)cc1 519481298 SOQBYAAUHKAJJP-HNNXBMFYSA-N 481.389 6.602 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 519516701 ZERSEKVUZFXMCN-SFHVURJKSA-N 459.637 5.144 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 520676126 OBFILVXKHXVKRA-OAQYLSRUSA-N 467.569 5.713 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nnn1-c1cccc2cnccc12 520877749 VRDAIYQZLBOVKI-UHFFFAOYSA-N 482.491 5.401 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 521670084 AJXJFASMTGYGDE-UHFFFAOYSA-N 453.373 5.425 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)NC2CCCCC2)CC1 521692563 UZLHYHFZPYGVFQ-UHFFFAOYSA-N 460.578 5.352 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1 521739862 JLOULHOVCDHLNL-MRXNPFEDSA-N 463.525 5.486 30 20 JKED COc1ccc(-c2csc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)n2)cc1 550315433 IPQIVMJXTDSMAU-UHFFFAOYSA-N 457.580 6.235 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 551600185 FEYNDFZWHPJNOI-UHFFFAOYSA-N 478.552 5.768 30 20 JKED COCCN(C(=O)Nc1ccc(F)cc1C(F)(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 590335130 PAOYRVBMHZEZDG-GFCCVEGCSA-N 452.370 6.105 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 597492045 TXIFOQRZHFZEJL-HNNXBMFYSA-N 487.969 5.032 30 20 JKED COc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)ccc1OCc1ccc(Br)s1 603640358 ADLREPFVMVFHED-KRWDZBQOSA-N 475.339 5.232 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cn2)cc1 603690733 PFOWXRVBMZFVFK-KBPBESRZSA-N 472.389 5.777 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(NC(=O)c2ccccc2)c1 603691658 LHASNOMPFRLTQB-LJQANCHMSA-N 477.524 5.881 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](OCC(F)(F)F)C2)cc1Cl 603829009 MPJIWGAZWXMDDJ-IEBWSBKVSA-N 451.876 5.571 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)c1C 603836631 PXHPGOTUSMCMHH-XMMPIXPASA-N 498.608 5.517 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(c4nc5ccccc5s4)C3)cn2)cc1 604241653 FFMJDZLEMZXDFB-SFHVURJKSA-N 455.543 5.210 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 604241888 UVMULEWQMWRCMD-UHFFFAOYSA-N 484.537 5.107 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 604330939 XHQURQRTNPDVBP-UHFFFAOYSA-N 471.520 5.910 30 20 JKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 604441678 SBWGAXOUKONQQZ-UHFFFAOYSA-N 477.589 6.664 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC=C(c4cccc5ccccc45)CC3)cn2)cc1 604507283 NNZSCCRDUKVBCU-UHFFFAOYSA-N 474.520 5.153 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 608804553 ACSKNGOROXYPGF-UHFFFAOYSA-N 469.472 5.303 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 608875407 XIIXGFPCQWRDND-UHFFFAOYSA-N 452.901 5.778 30 20 JKED CCc1c(C)sc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C#N 609033237 ZTZPQZWFTKFVBF-OAQYLSRUSA-N 451.979 5.644 30 20 JKED CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1Cl 609058455 UCXPKKTZBTXWRR-UHFFFAOYSA-N 451.910 5.022 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2Cl)c1 609063247 SNQHNIRIFXMFLD-UHFFFAOYSA-N 497.864 5.642 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1[N+](=O)[O-])c1ccccn1 609427550 JCMYFFUYIFHOQT-SJORKVTESA-N 461.547 5.809 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2CN2CCCCC2)cc1 609547556 SCFJJGZXJHJFLW-UHFFFAOYSA-N 455.627 5.766 30 20 JKED N#C[C@H](C(=O)c1nc(N2CCCC2)ncc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347351 ZGJNLDGWQYQCLX-CYBMUJFWSA-N 478.792 5.651 30 20 JKED N#C[C@@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc2cc(C(F)(F)F)ccc2s1 613403859 HEHLGOCKLVGBTA-HNNXBMFYSA-N 463.444 5.515 30 20 JKED N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc2cc(C(F)(F)F)ccc2s1 613404057 NDYOFXLXOMSWAB-CQSZACIVSA-N 456.470 6.426 30 20 JKED O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618558718 HFVMYYYYIIWIKJ-QWQRMKEZSA-N 482.827 6.341 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 642209593 AGVKHZNPKCOOPU-KRWDZBQOSA-N 483.317 5.032 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 642282267 YZYVKKARXAVHLG-QGZVFWFLSA-N 495.548 5.144 30 20 JKED CC(=O)Nc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 642473555 AHGPYJSDNSWTSR-UWVGGRQHSA-N 479.343 5.695 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 726321003 BANJYDUGNJNBHK-GGOOSFECSA-N 451.611 5.103 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(C#N)c(Cl)c1 726408243 YCVQFOCFSYDYGG-OAQYLSRUSA-N 462.962 5.345 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N\[C@@H](C)c2cccs2)cc1 726420969 NGMCFKDTUJAVEX-QGPWZHNMSA-N 497.617 5.486 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1Cl 726891746 QJIXSZSYNGRRAK-FQEVSTJZSA-N 475.973 5.391 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cn3c(S)nnc3-c3cccs3)cc2Cl)c1 728028931 FSBZOIQNZSLIOX-UHFFFAOYSA-N 481.990 5.038 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 728036708 WARWURDSJTWZNL-UHFFFAOYSA-N 463.921 6.688 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(C(C)C)cc1 729144682 XPRDZWJFCUUTMV-QFIPXVFZSA-N 492.670 5.413 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1 729889235 LYRMXYLUXXUYMZ-PMACEKPBSA-N 455.942 5.034 30 20 JKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2c(F)cccc2F)cs1 729894716 QGORDUKTBSUUFT-INIZCTEOSA-N 468.485 5.477 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1c(C)noc1C 730444599 OADGJZJAUADYQQ-QHCPKHFHSA-N 476.602 5.057 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(Cl)c1 730720306 PUFAQASJRMMQLH-RTWAWAEBSA-N 492.004 5.086 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1=S 731027825 PZMOQIPYXYMFSH-XMMPIXPASA-N 464.683 5.294 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 731061149 QARMOXJQXJWXFM-IZQLPPHKSA-N 480.586 5.861 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304656 ZCPQAZOMWFTIEU-QHCPKHFHSA-N 472.570 5.200 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1 731306436 MKHNPISMWKAWEL-DEOSSOPVSA-N 495.645 5.319 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2ccccn2)c1 731311704 DPOQWNTVQYBBAE-DEOSSOPVSA-N 488.613 5.114 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 743526238 PHGRFUVITWBTMC-NRFANRHFSA-N 497.983 5.046 30 20 JKED N#C[C@H](C(=O)CCc1ccc(Br)cc1F)C(=O)Nc1ccccc1Oc1ccccc1 745311970 DHFHTOWRTPENCP-LJQANCHMSA-N 481.321 5.661 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)cs1 745626264 LPIWRQCUDAUSJI-KAMYIIQDSA-N 476.989 6.180 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(C)c(F)c1 746697534 FVRSXGORLIQPPT-NRFANRHFSA-N 475.561 5.050 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCCOC1CCCC1 747043291 JFOWCPXHROABRM-QHCPKHFHSA-N 481.618 5.005 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cscn2)C1=O)Nc1ccccc1 747601074 DKRIBOJQQDENDZ-JOCHJYFZSA-N 472.595 5.457 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccccc1-c1ccccc1 750909323 GFZCVJRQLAJLCO-XMMPIXPASA-N 489.597 5.351 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 837445764 ZAKXQHKCHHXYAN-SQJMNOBHSA-N 486.641 6.037 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3cccnc3)C2=O)c1 837714390 NSAHHABQNGRWOD-OPAMFIHVSA-N 495.004 5.465 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)cc1F 838258683 QEYVSVFQHFJAIO-IVZQSRNASA-N 498.530 5.529 30 20 JKED CCOC(=O)c1sc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c(C#N)c1C 879440308 BPQOJJVDWGJHAP-UHFFFAOYSA-N 472.526 5.383 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 914555398 FWBGFDRNPAYSAC-HSZRJFAPSA-N 495.551 5.272 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)Cc2ccco2)c1 914690713 CNGUVHBCOJDZED-AOMKIAJQSA-N 481.549 5.019 30 20 JKED N#CC(CCOC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)(c1ccccc1)c1ccccc1 914894679 PLHKYGQZKXEBPL-UHFFFAOYSA-N 467.569 5.374 30 20 JKED N#Cc1cccc(/C=C2\CN(C(=O)c3ccccc3Cl)C/C(=C\c3cccc(C#N)c3)C2=O)c1 915990803 YBTFLOYUOIKXRN-RNIAWFEPSA-N 463.924 5.275 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1F 916214531 OHMDVCJAHMPSFU-AUUYWEPGSA-N 496.391 5.272 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ncc(C(F)(F)F)cc2Cl)cs1 916286792 VVYAHLRYWCRJEI-UHFFFAOYSA-N 467.904 5.958 30 20 JKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2cccc(OCC#N)c2)c1OC 916411462 WWVFTQSGPOSKBB-ZPHPHTNESA-N 491.547 5.893 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 916710611 MASROXGXAUZTNY-LCQNATCMSA-N 482.650 5.166 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC 916883189 HGSUCRAHJKLBSJ-AWEZNQCLSA-N 499.333 5.132 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccccc4Cl)cc3)o2)cc1 916911190 UTYLGNHLYSFQOG-LJQANCHMSA-N 456.889 5.327 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)nn2-c2ccccc2)cc1 916913205 VFLGOZVWYCRPOS-HXUWFJFHSA-N 470.916 5.162 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCC(C)C 916919715 ZLBMWXYQZTURIE-IBGZPJMESA-N 450.922 5.498 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccccc2Br)cc1 916924361 CBMDXNIZRCNBAL-LJQANCHMSA-N 493.357 5.388 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 916930868 LMURZPXNNAMVPJ-QGZVFWFLSA-N 464.934 5.019 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2=Cc3cc(Br)ccc3OC2)cc1 916948443 GSJZGSPRANOWIN-VLIAUNLRSA-N 453.336 5.086 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916974163 FNQNCGLBTBRJSI-QGZVFWFLSA-N 496.386 5.407 30 20 JKED COc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 916996533 KHDYPUSWXAQERQ-SCLBCKFNSA-N 486.380 5.355 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n1 917044303 SICMYMLPAIGHJH-MRXNPFEDSA-N 489.569 6.862 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 917507272 SYRWINKTNYNNBR-ZMOVQZPESA-N 464.518 5.281 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N([C@H]2CCN3CCC[C@@H]3C2)C1=O)Nc1ccccc1 917653900 YBKPURQNNKIWDD-UMFSSWHCSA-N 498.652 5.427 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C1=O 917675622 SAORLIZXKZDAPA-PWAGRJGVSA-N 489.597 5.572 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 917682485 JFWQZSRAKVKCIQ-DVECYGJZSA-N 487.629 5.178 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](c1ccccc1)C1CC1 917702584 GFWWKNTZUOBPAZ-AHWVRZQESA-N 480.593 5.670 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3)C(=O)N2CC(F)(F)F)c1 917708194 GLKWRWXQAYWNRQ-GOSISDBHSA-N 493.507 5.031 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccccc4)nc4cc(F)ccc34)CC2)cc1 919697473 VPQRZRPCCFXGFG-UHFFFAOYSA-N 464.544 5.261 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2ccc(F)c(F)c2)c1 919862392 ZCJQWLXDDGEUDJ-UHFFFAOYSA-N 476.932 5.276 30 20 JKED COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)sc2cccc(F)c12 920141654 GLBPEBSARSHFCI-OAHLLOKOSA-N 452.532 5.809 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cc(C)on3)C2=O)cc1 920353539 MDEMHPWLSIUADL-HSZRJFAPSA-N 492.601 5.159 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1=S 921050788 BTUYYOKQZWYMAU-UHFFFAOYSA-N 496.036 5.907 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(Oc3cc(F)cc(F)c3)cc2)c(OC)c1 921255983 IENPUEHZYCAJPS-UHFFFAOYSA-N 468.485 5.204 30 20 JKED CC(C)c1csc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)n1 1787005437 JCASRUZLFMVCKT-UHFFFAOYSA-N 458.587 5.394 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnn(C(C)(C)C)c4)cc3)CCC2)cc1C#N 1787072100 CUZBCCDQQUEWJF-UHFFFAOYSA-N 499.615 5.358 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)CCC1 1788913674 FUZAQCNADIKULY-ZHACJKMWSA-N 469.566 5.416 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4cc[nH]c34)cc2)CCC1 1788992094 USCANOWZCYDDPT-UHFFFAOYSA-N 464.363 5.092 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1789577435 ZHOBCCYAABWNPJ-HTNSFKOASA-N 496.611 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](NC(C)=O)c3ccc(F)cc3)CCC2)cc1 1789625764 YQSBJRNHNHEKMF-XMMPIXPASA-N 479.596 5.129 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ncccc4C(F)(F)F)cc3)CCC2)cc1 1789856154 VDDLIXWRPRZPAL-UHFFFAOYSA-N 478.474 5.228 30 20 JKED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)c(F)c3)cc2)CCC1 1790094659 PROFYLRYPIZTLW-NXVVXOECSA-N 497.570 5.099 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)c(F)c1 1790257374 XBGRYSYAUVMTQT-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)cc2)CCC1 1790353064 UMFFOMDZVDDDEH-MHZLTWQESA-N 489.660 5.158 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)sc3Cl)CCC2)cc1 1790512622 MZFQXNKMNUSQAC-UHFFFAOYSA-N 481.401 5.312 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3sc(-c4ccccn4)nc3C)CCC2)cc1 1790568527 UBCVDGXYIWYLPQ-GOSISDBHSA-N 491.617 5.062 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1 1790647522 CHLWMDQMCZTQQD-OAHLLOKOSA-N 479.474 5.393 30 20 JKED Cc1cncc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)c1 1790745026 AQWCEMANQHCTHM-UHFFFAOYSA-N 489.373 5.086 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5ncccc45)cc3)CCC2)c1 1790903564 FAPLMFPPMSFHDM-LJQANCHMSA-N 475.552 5.318 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)CCC2)cc1)C(F)(F)F 1791302886 BMMDVOVKQBTBBD-QHCPKHFHSA-N 495.542 5.029 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](C)CN(CC)CC)CCC2)cc1)c1ccc(O)cc1 1791646147 FPFVJLWILYMPCD-VWNXMTODSA-N 489.660 5.001 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3C)CCC2)cc1)c1ccc(O)cc1 1791646473 UPLNJIAIWWAJHS-RUZDIDTESA-N 495.623 5.360 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C1CC1 1793156903 XISHIPNPMUTBSV-HWCSRRPISA-N 489.701 5.235 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccc(-c4ccccc4)cc13)C2 1798334126 MJFGMEKWYQAVPO-UEQSERJNSA-N 468.601 5.250 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1)C(F)(F)F 1799145825 GEFHHQCZDUBGFF-BJWYYQGGSA-N 473.520 5.267 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)cc(Cl)c2[nH]1 1801010259 XVBGPRVLXKLQFN-BCDXTJNWSA-N 490.829 5.029 30 20 JKED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1802995512 SPXMRANALPUNQV-LEUNHAGWSA-N 489.660 5.125 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)c(Cl)c1 1803895288 SMBJLONHJAXJNI-ISFILERXSA-N 497.831 5.399 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803988550 HNQHRBGFWZSPKW-PLAFWNHUSA-N 479.587 5.449 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(F)CCCC=C1F)c1ccc(C#Cc2ccccc2)cc1 1804569576 QPCZAQBYTFAGJY-MNGFJMBLSA-N 474.551 5.084 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc5cc(Br)ccc5cc4O)CC3)C2)C1 1804785789 UUSBRQFCQQWQQU-UHFFFAOYSA-N 497.433 5.119 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1 1805088003 AMFWJELLDRQNJC-HXUWFJFHSA-N 464.009 5.434 30 20 JKED Cc1sc(-c2ccccc2)nc1CC(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 1806899132 RBAMJFCUFHLHHF-UHFFFAOYSA-N 498.652 5.078 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1810178690 SHMJFAUJTSRGKO-ZRRKCSAHSA-N 459.634 5.105 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1810181381 HTNZMNJQTDEGPO-KHMOSXFSSA-N 489.019 5.371 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c(Cl)c1 1810278236 WZZNTBHHHGXISP-BKMJKUGQSA-N 496.127 5.414 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cc(F)cc(F)c3)C2)CC1 1810385396 VTSQCYGTIVPRSB-XMMPIXPASA-N 493.598 5.640 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1810504069 VXYUJRVSBDPMTB-CJFMBICVSA-N 491.035 5.595 30 20 JKED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1811411383 ZGEYDTOPCQLULF-WNCULLNHSA-N 490.648 5.278 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1811420441 OSWUSHZVXCIMBP-ZEQKJWHPSA-N 487.003 5.363 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc4c(c3)c3ccccc3n4CC)[C@H]2c2cccnc2)C1 1811427759 HPDGJAZQVTXCHQ-RNWIMVQKSA-N 492.623 5.495 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(Cl)cn3c2C)[C@H]1c1cccnc1 1812257757 YXEFVTSDUAYDBC-HYBUGGRVSA-N 494.039 5.003 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1812792310 AUACGCBZEXNWSB-YWDMUFDYSA-N 493.051 5.389 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)Cc3ccc(CCCCC)cc3)[C@H]2c2cccnc2)C1 1812957631 XYGZQIGSDPHZBB-LEAFIULHSA-N 459.634 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)cc2Cl)[C@H]1c1cccnc1 1812983499 IFDZISMGHGPVFP-KZJNQIRTSA-N 482.024 5.152 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1813051355 XCBQZQPRBRFSAE-ATIYNZHBSA-N 478.036 5.056 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1814257633 KPHQSDZQXPXUCN-RQHWJSIBSA-N 482.628 5.359 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)cc1 1814377676 RHCDWNVLXWATHV-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#Cc3ccc(Cl)cc3)n[nH]2)c1 1814743151 AXVOGOQBNYZOTF-UUOWRZLLSA-N 485.975 5.048 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815244836 AHKAEOPAKMPHMA-XUZZJYLKSA-N 478.618 5.462 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(OC)ccc2OC)n[nH]1 1817066702 RUNQNUQOOJPTQI-QFIPXVFZSA-N 482.625 5.044 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)c(F)c2)n[nH]1 1817766695 QBNBUODOFKKUAI-AOMKIAJQSA-N 479.531 5.268 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819077032 UYKHCEIFNDRQRL-JXFKEZNVSA-N 460.600 5.024 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)[nH]n1 1819306098 WRAYTHDSKYIWOI-URXFXBBRSA-N 469.589 5.546 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)[nH]n1)c1ccccc1 1819518021 DOQWXVNRJVJOKL-NFBKMPQASA-N 497.555 5.161 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c[nH]c4nccc-4c3n2C)n[nH]1 1820131469 UIBOKFDXEWIBGK-FQEVSTJZSA-N 487.608 5.028 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821272692 NDLVOJPVXFJPPR-NRFANRHFSA-N 495.942 5.092 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2N2CCCCC2)n[nH]1 1821307097 SGUMTAXURKBKLK-PXDATVDWSA-N 475.637 5.474 30 20 JKED C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1)Oc1ccccc1 1821785753 MHWRQVFUHKPXAO-WZOHSFFVSA-N 485.588 5.200 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1)C(F)(F)F 1821993770 MDMCOMLTLWAPAN-QGZVFWFLSA-N 489.325 5.460 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(C)c1 1823214320 BKHWHIROLSSMTA-LVXARBLLSA-N 498.631 5.462 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2ccccc2C#N)n[nH]1)c1ccccc1 1823386256 AVHLKJULAMNROL-IDOVBLGQSA-N 499.615 5.182 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603341 ZINWKHMOMWDZRK-DEOSSOPVSA-N 476.646 5.415 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)cc3F)CC2)cc1 1823930837 RMJWKJDLTLKIIF-HSZRJFAPSA-N 498.396 5.007 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1824002676 BRGLMEAVLSPILX-OAQYLSRUSA-N 497.850 5.059 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1824056702 ZIEFBUTXCXRQDU-XMMPIXPASA-N 499.989 5.356 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1824961011 CURNCFMZNOVXKG-HSZRJFAPSA-N 472.054 5.041 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1824961696 YJDAIIIUUHENTD-HSZRJFAPSA-N 472.054 5.041 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330627 WGCVIORRPTZKIC-AMGIVPHBSA-N 459.634 5.503 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)c2O1 1827513262 UHNUWCCMANJXMU-MHZLTWQESA-N 499.655 5.138 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1828397183 KIOAMPACRNFAPW-BJESRGMDSA-N 463.087 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828514683 JGSUGGKNVQKVBI-DEOSSOPVSA-N 453.602 5.533 30 20 JKED C=CCCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cnccc34)CC2)c(O)n1 1828653722 AIDFDMLFQPHEPC-HHHXNRCGSA-N 498.627 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828677741 ZYJKTINAQVAOAN-QHCPKHFHSA-N 451.636 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cs2)CC1 1828825658 ZRTGLOAQEWMMAG-UXHICEINSA-N 479.484 5.512 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC)nc2)CC1)c1ccccc1 1829030376 NTMBUHXXQVEMIX-NSOVKSMOSA-N 471.645 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc3cccnc3cc2F)CC1 1829068775 PQHITTJXLNWDDD-SANMLTNESA-N 479.640 5.529 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(OC)c2C)CC1 1829069917 CKPWSZMXFWUHRD-DEOSSOPVSA-N 454.655 5.158 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)c(OC(F)F)c3)CC2)C1 1829635388 WLOWNHGYJRKRGI-IBGZPJMESA-N 498.517 5.089 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1Cl 1829685405 DUWMNUNMFUNARG-DEOSSOPVSA-N 476.020 5.177 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3F)CC2)c1Cl 1829689903 VITKMYGYAUVHQO-JOCHJYFZSA-N 471.935 5.037 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829943712 YDJGEPGFZUVMMY-KBMIEXCESA-N 497.561 5.880 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830447743 PGUUMKTZEKXYSB-IZLXSDGUSA-N 471.645 5.750 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c1 1830768403 SLIZDXQHQWRWJH-JOCHJYFZSA-N 461.587 5.222 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1830770043 IHZNQBVEUHDFQM-DEOSSOPVSA-N 481.543 5.015 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)c1 1830778458 ZIMFLSDXOFFLIL-QFIPXVFZSA-N 488.470 5.356 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830879157 YOXTWDOTJIKOBJ-AOYPEHQESA-N 480.052 5.890 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830977311 CNHYNOSXXDHQGQ-KNQAVFIVSA-N 454.636 5.034 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2noc3ccc(Br)cc23)CC1 1831038278 HJKGFXAMBRFVON-UZLBHIALSA-N 488.426 5.036 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCN(c3ccc(F)cn3)CC2)CC1 1831196656 DAOSDIFPDMUHPS-RUZDIDTESA-N 498.687 5.049 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)CC1)c1cccs1 1832625148 ACXXRDZBNGZKPN-BXKJMJEDSA-N 489.012 5.213 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc4c(O)cccc34)CC2)c1 1832633169 FMBWJMRHZBZMFJ-RXFWQSSRSA-N 496.611 5.115 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CC1 1835682818 BHVLWXSDLYNHQQ-AREMUKBSSA-N 498.111 5.102 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)C2(c4cccc(Cl)c4)CCCC2)C3)c1 1846829315 ZKCCUPWYXHSZQI-HXUWFJFHSA-N 476.020 5.296 30 20 JKED C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2)C(=O)NC1(C#N)CCCCC1 8629243 TUAFYFNDFKTPAX-MXTRNAPSSA-N 495.579 5.315 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@H]1c1cccc(C#N)c1 10360273 PKNJKQVLHSGSPO-SANMLTNESA-N 482.609 5.532 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 11260497 GMAGIKQNWCDYLY-UHFFFAOYSA-O 450.628 5.286 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)c(C)c2c1 12260898 RTCCXYJJBKKNNH-UHFFFAOYSA-N 489.572 5.463 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(C)c2)cc1 15247736 DDUKYWFYQKLJNX-UHFFFAOYSA-O 456.385 5.105 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccc(Cl)cc1 16862790 YARPYFBRHXYXQB-CQSZACIVSA-N 491.842 5.975 30 20 JKED Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2C)cc1 17099817 JUGVLBJLFLXQBZ-OAHLLOKOSA-N 451.621 5.112 30 20 JKED CCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17126235 BQWLKEODUGKUDM-MRXNPFEDSA-N 498.649 5.416 30 20 JKED COc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 17699225 SBTQCDWFASPEID-QRVIBDJDSA-N 489.553 5.691 30 20 JKED COc1cc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc([N+](=O)[O-])c1O 18065115 YTCNKOBMGSLZEL-WOJGMQOQSA-N 480.904 5.484 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2CC)cc1 22731740 FCTDSFKUSSQSPG-UHFFFAOYSA-O 489.539 5.885 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1 22732161 CZHGELKIJTVMQI-UHFFFAOYSA-O 463.598 5.750 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1)c1nc2c(s1)CCCC2 23660052 HJLCQAABSYLNPB-UHFFFAOYSA-N 481.643 5.070 30 20 JKED CC[C@@]1(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)CCC(=O)NC1=O 60017143 JCHMROUGKAGYCZ-MHZLTWQESA-N 469.566 5.046 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 116990586 QLCIDGCLLWAXIZ-HXUWFJFHSA-N 463.759 5.019 30 20 JKED CCc1cc(C#N)c(NC(=O)CSCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)s1 195535743 FQNBJKXUVSISJT-UHFFFAOYSA-N 466.613 5.019 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 303148614 MERCNFVEVRXXCW-RUZDIDTESA-N 492.044 5.307 30 20 JKED Cc1ccc([C@@H](NCC(=O)Nc2ccccc2SCC#N)c2ccc(F)cc2Cl)cc1 303419612 XXQJJVAZDICMEF-XMMPIXPASA-N 453.970 5.721 30 20 JKED O=C(c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CC[C@@H](c2ccccc2F)C1 410298345 VHAZSDJQVMZZGG-CYBMUJFWSA-N 465.365 5.338 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCCN(c4ccccc4C#N)CC3)c3cnn(C(C)C)c3n2)c(C)s1 481079452 IYHTTXDEDOQZGL-UHFFFAOYSA-N 498.656 5.582 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@H]1CCCc2ccccc21 486263509 UOVHENDPXJDXSW-QFIPXVFZSA-N 483.037 5.325 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 499999334 VDJOFUQNCDADTQ-UHFFFAOYSA-N 465.475 5.162 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nnc(-c2cccs2)o1 501131520 XWYNPNBBWGVCIR-CYBMUJFWSA-N 459.984 5.661 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1OCCCOC 502630516 ALVVBJGQCXLGQU-UHFFFAOYSA-N 451.336 5.224 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1 503173273 YNMYUEDGJQBNSU-UHFFFAOYSA-N 469.570 5.062 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc(OCc4ccc(Cl)cc4)c3)CC2)c1 504658167 PBZXDSDXODWFDA-UHFFFAOYSA-N 473.960 5.282 30 20 JKED CC(C)CCN(CCC#N)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 505182587 UKRZXGMOTFJYAI-UHFFFAOYSA-N 468.406 5.196 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1 508272006 FTFWHDXEMMTNEZ-UHFFFAOYSA-N 493.523 5.328 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)s2)cc1 510087341 RXBLKKCVDXWAIX-FQEVSTJZSA-N 458.572 5.008 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(COCc4ccccc4)cc3)c2)c1 511496769 JBEXCEMTZGTJPZ-UHFFFAOYSA-N 490.563 5.849 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 511741810 ODWUEUPBZNOMRX-DEOSSOPVSA-N 481.596 5.145 30 20 JKED Cn1c([C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)nc2ccccc21 513677242 SWAQAZOKCLEVSA-OAQYLSRUSA-N 472.508 5.116 30 20 JKED Cc1nc(SCC(=O)Nc2ccccc2SCC#N)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 514343664 NHVKIQJYGBHZGX-FUMNGEBKSA-N 454.665 5.844 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12 514363257 RBQWLLWODQSYOT-SFTDATJTSA-N 477.678 5.004 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1 515577314 QEAMRYRIFFMMOH-UHFFFAOYSA-N 458.543 5.203 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](CCc3ccccc3)c3ccccc3)c2)c1 516439362 LZQMHLDZNCPMQV-GDLZYMKVSA-N 489.575 5.566 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 517790813 MOHRLGKEBSECCS-UHFFFAOYSA-N 458.949 6.105 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1Cl 518548337 YUHJOIMNZIYBAF-KNQAVFIVSA-N 480.351 5.227 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1nnc(-c2c(Cl)cccc2Cl)o1 519749069 XJFMOORIINEEFC-UHFFFAOYSA-N 479.437 5.142 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 520127528 MHNOGWLGZQSOES-LJQANCHMSA-N 496.011 5.582 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 520190549 YOIOXTFABYXGBO-HJPURHCSSA-N 481.980 5.718 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1[N+](=O)[O-])c1ccccn1 521727469 UJINYMCPCJNHBY-SJORKVTESA-N 461.547 5.667 30 20 JKED C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 552389216 QNOHJNOVUFEKMO-CQSZACIVSA-N 459.855 6.462 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc(C3CC3)n2-c2ccccc2)n(Cc2ccco2)c1C 590612245 CCBVZKGGQSFOCZ-UHFFFAOYSA-N 486.601 5.197 30 20 JKED N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c(-c2ccncc2)n1 602755488 DDSSNMFTPMOJHV-XMMPIXPASA-N 472.911 5.422 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)c2C#N)C1 602755535 HXXLRPJAEIQUTR-INIZCTEOSA-N 486.626 5.118 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603758957 QEBJAFAXXIXYMT-JOCHJYFZSA-N 459.933 5.673 30 20 JKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1NC(=O)c1ccccc1F 603764104 FNIGZBKDQHANLL-UHFFFAOYSA-N 466.472 5.698 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 603838858 OZQJFHWUDLKHAG-CQSZACIVSA-N 492.340 5.922 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(OCc2cccnc2)cc1 603889907 DPDHCVDFUNYAQT-IBGZPJMESA-N 453.498 5.195 30 20 JKED CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 603976087 ZBDUZZZPPHZFKK-UHFFFAOYSA-N 488.363 5.016 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)cn2)c1 604302661 IAZPROWQJXBOEO-GOSISDBHSA-N 467.312 5.044 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccnc(Sc3ccccn3)c2)cc1C 608853609 MUBHPTCOEVCUTI-UHFFFAOYSA-N 454.559 5.274 30 20 JKED CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 608926115 DCHXTQZEWHUCNL-UHFFFAOYSA-N 459.550 5.245 30 20 JKED COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c2ccccc2)cc1 609073773 ZHNBLFALXYPLOA-NDEPHWFRSA-N 491.547 5.256 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cc2F)c1 609123880 OFYPBJJWXZYSPB-HXUWFJFHSA-N 486.572 6.298 30 20 JKED N#CCn1c(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc2ccccc21 609159418 KFVYWBKLNPRFBL-UHFFFAOYSA-N 499.379 5.525 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C(F)(F)F)c1 609208343 UIDPDNXZQZIFHO-INIZCTEOSA-N 477.552 6.543 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209970 YRMBOVSGFLZWHA-UHFFFAOYSA-N 452.514 6.102 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 609371707 TVIIIMHSYHIBOF-LBPRGKRZSA-N 450.511 5.564 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 609435267 BQYHBPZGFQKHDS-KRWDZBQOSA-N 457.669 5.185 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613319228 ACNVKTLPQQAJHJ-HNNXBMFYSA-N 458.008 6.308 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12 613319982 QWPLTVIRJISOMG-CQSZACIVSA-N 486.778 6.206 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c2ccc(Br)cc2n1 614388306 VKDMYXSJTHZEGS-HNNXBMFYSA-N 455.262 5.541 30 20 JKED C[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 615325742 ILEIBZJLVLVLJJ-GFCCVEGCSA-N 452.370 5.562 30 20 JKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618607944 FMJDPWXMHCAKPY-RYUDHWBXSA-N 494.354 5.022 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2cc(C(F)(F)F)ccc2s1 624443679 WGHZXZUADSOBLY-INIZCTEOSA-N 495.511 6.114 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cccc(C(F)(F)F)c1 645079343 GMOYJOMANXFFFF-UHFFFAOYSA-N 451.445 5.176 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 726074994 YSBLDKFZJFWNPK-GDLZYMKVSA-N 474.539 6.587 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(Br)cc4)CCOCC3)n2)cc1 726321081 ABKAYWZXGLCUSV-FQEVSTJZSA-N 481.415 5.806 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)n2)cc1 726324790 GVIAMSARCQVUKX-VNXZQDSDSA-N 474.630 5.503 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 726393741 RCNDIAVTRIYAQW-RNODOKPDSA-N 495.979 5.312 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 726399791 OOYMJBFDNHHKCW-DNVCBOLYSA-N 479.524 5.091 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 726412281 NEAMOYKJKXXOGL-QHCPKHFHSA-N 457.555 5.038 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCCC1)c1cccs1 726420833 JNBLAZMOLJWMAU-CGZRUWKSSA-N 495.592 6.099 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n1 726877542 OLMJRBCZUOLTOG-HOTGVXAUSA-N 494.671 5.098 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(I)s2)cc1 727026570 DMZCUGYYXHUTKG-IBGZPJMESA-N 487.366 5.372 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 728780270 PFMWHNYYQNWJAR-HSZRJFAPSA-N 474.561 5.633 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)cc1F 729144752 FCLJCPDFBQMICG-IBGZPJMESA-N 486.569 5.199 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1=S 729464427 VNMLNMNXVOCBRV-KRWDZBQOSA-N 478.062 5.067 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 729630661 CYKARQLBIJZMCP-RUZDIDTESA-N 480.593 5.704 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 729889065 PJQPZZMMPLFHPC-DEOSSOPVSA-N 484.943 5.091 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C1CCC1 730462190 XKHIYJFRLPCAKT-LJQANCHMSA-N 473.385 5.378 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)c1 730462628 OWZZDJNVYPJZOX-QHCPKHFHSA-N 497.617 5.004 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(C)c(F)c1 730537531 VLWXUYNHWLNKBO-SFHVURJKSA-N 478.933 5.066 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 730646620 WJZAFECOLKYGQG-OXQOHEQNSA-N 475.353 5.298 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730713483 SOJNBMUZEYYOFW-HXUWFJFHSA-N 468.966 5.105 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 731062281 CXWOALFQWCUOLE-LLVKDONJSA-N 457.766 5.694 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c3c2CCCC3)cc1 731135561 CTBWSGPARCGFJL-FQEVSTJZSA-N 480.540 5.335 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 731304766 AREZKQARYQZPKA-RUZDIDTESA-N 498.608 5.385 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c1 731306437 BHNJKRATWZGDCT-MBSDFSHPSA-N 477.586 5.194 30 20 JKED C[C@@H]1CCCC[C@@H]1OCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731307829 VPKTYCJWNWDXRW-VSDWSMLSSA-N 499.608 5.087 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(F)cc3F)C2=O)cc1 745584678 QJCJECZPEIMNAW-QHCPKHFHSA-N 493.535 5.328 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cc2ccccc2[nH]1 746697643 ISOIHZWCLCMOOA-XMMPIXPASA-N 484.581 5.337 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1cscn1 747604132 YKDZJQQXYYZSGC-QFIPXVFZSA-N 478.643 5.483 30 20 JKED C#Cc1cccc(N(CC(=O)NC)C(=O)c2oc3ccccc3c2CSc2cccs2)c1 749507285 MVQRHAJNDVOAIN-UHFFFAOYSA-N 460.580 5.161 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc1 750842440 QLHNAIKPIIURSO-UHFFFAOYSA-N 469.522 5.925 30 20 JKED CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 779182798 AAGJDXCMFJFMDU-SFHVURJKSA-N 458.539 5.237 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(Nc2ccc(OC(F)(F)F)cc2)sc1=S 813024207 HWYSJMIPNSFWNC-UHFFFAOYSA-N 466.514 5.085 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837284292 KZOLKVOOPVCQIO-URXFXBBRSA-N 486.641 6.037 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCc2cccs2)C1=O)Nc1ccccc1F 837301356 XJPCUFLWWHDFOK-HXUWFJFHSA-N 471.554 5.229 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@H](C)c2cccnc2)c1 838278863 GLPSPDHUBVRBRE-KOSHJBKYSA-N 488.613 5.374 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)cc1 899919700 VJNUZYNNTVYZLT-UHFFFAOYSA-N 478.533 5.373 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccccc2Br)s1 912788988 VLCYPQVPPVQJJQ-UHFFFAOYSA-N 471.405 5.616 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)c1ccc(SC2CCCC2)cc1 914699691 KBJIXSFHPMLIMV-UHFFFAOYSA-N 467.620 5.148 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)[C@@H](C#N)c4nc5ccccc5n4C(F)F)CC3)c2c1C 915107375 RSQQNPIZTJQPCD-MRXNPFEDSA-N 480.544 5.146 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCCC3)C2=O)cc1OC 916210909 IHLIYMIBKMHEAD-NRFANRHFSA-N 488.009 5.260 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 917343739 DWPJRSVDTCPBTA-UHFFFAOYSA-N 475.548 5.367 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)c1ccc(OCc2nccn2C)cc1 917517768 KLNSAMIWUAFFIB-SEYXRHQNSA-N 460.965 5.410 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3Cl)s2)cs1 917560557 QUUSAIQMFRXUDL-FLIBITNWSA-N 499.444 7.759 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccsc2)c1 917666828 MLXWTZICEVWPAF-HXUWFJFHSA-N 487.553 5.195 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c(C)c1 917675317 WRARAOITEWKUQM-JXALWOEJSA-N 494.636 5.030 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccc(C#N)cc1 917686804 BJDSEDVVKLNVGO-VWLOTQADSA-N 498.608 5.290 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)c1 917690375 VHXWAPPXRANGDI-QHCPKHFHSA-N 476.577 5.252 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1c[nH]c2ccccc12 917702230 DAFBTVIODDBZNX-VWLOTQADSA-N 493.592 5.243 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccco3)C2=O)cc1Cl 917703677 AJCRMNHOUMQVNF-OAQYLSRUSA-N 478.961 5.274 30 20 JKED N#Cc1c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)sc2c1-c1ccccc1CC2 917773810 CTDAPSYYZBUBME-UHFFFAOYSA-N 454.305 5.308 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OCCOc1ccccc1C#N 919157893 QVXHVQPCXKQTDH-UHFFFAOYSA-N 458.898 5.209 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 920105304 AWFMNFBXAZSHBQ-WMZOPIPTSA-N 482.367 5.227 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2nc(C)cs2)n1 920328070 NSPXLONRXRVMEL-CQSZACIVSA-N 483.596 5.613 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cc(C)on3)C2=O)c1 920354164 ZRBBRKIHCIKINO-QFIPXVFZSA-N 497.020 5.722 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1Cc1cc(C)on1 920356483 PMGAHQUYHKIZSQ-OAQYLSRUSA-N 498.992 5.114 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2c(C)cccc2C)cs1 920362181 OUIUFXZITWQLHT-UHFFFAOYSA-N 491.564 5.784 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 920478702 PUAZUVHKQNTFNB-WZONZLPQSA-N 499.567 5.196 30 20 JKED COc1ccc2c(-c3ccccc3)c(C(=O)OCC(=O)Nc3ccccc3SCC#N)oc2c1 920643516 BHZTUIVMKJKVID-UHFFFAOYSA-N 472.522 5.520 30 20 JKED Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1 920806224 IWQBEAMKNKCYEF-MRXNPFEDSA-N 483.590 6.636 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 920869920 QAMUPXBGECIHAM-XCLFUZPHSA-N 495.979 5.169 30 20 JKED N#C[C@H](COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Cc1ccc(F)cc1 920877748 NPNXZTLFLMLYKX-HXUWFJFHSA-N 456.473 5.292 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)COCC(F)(F)F)C2=O)c1 921254189 OCKJXRNFOMBARO-YLJYHZDGSA-N 493.551 5.231 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(CC)nc5ccc(Cl)cn45)CCC3)cc2)C1 1785806695 NIZMEBNXIWXTLX-UHFFFAOYSA-N 462.981 5.264 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1786240983 OCBKMZPMNIZSEN-ZTCOLXNVSA-N 495.664 5.582 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1 1786367439 PBTTUSXXUTVFAE-UHFFFAOYSA-N 496.405 5.051 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)CCC2)cc1 1786394843 IHNAAKVPTWJDDY-FQEVSTJZSA-N 490.551 5.055 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)cn1 1787303047 FBKUEYQVSUAYSN-UHFFFAOYSA-N 478.474 5.342 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789199804 YYFHGAMRROTXDU-WXVAWEFUSA-N 499.627 5.238 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3ccc(C4(NC(=O)[C@H](C)S)CCC4)cc3)cc2n1 1789220167 HPELJDQMHQDCEM-HNNXBMFYSA-N 453.995 5.263 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5[nH]ncc45)CCC3)cc2)c1Cl 1790081615 FZKFXZCZLMKXPW-UHFFFAOYSA-N 469.932 5.149 30 20 JKED COc1ccc2c(/C=C/C(=O)NC3(c4ccc(NC(=O)[C@@H](C)ON=C(C)C)cc4)CCC3)c[nH]c2c1 1790568273 QATBBQMZUHWFKI-CQTFCRGUSA-N 488.588 5.125 30 20 JKED CCCCCc1ncc(C(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)s1 1791078459 RPXYFJKGIHFKFM-TURZUDJPSA-N 481.666 5.095 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)CCC2)cc1 1791300198 HVYIZKCVSUODCL-UHFFFAOYSA-N 492.448 5.312 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)CCC2)cc1 1791578990 OQPBKTSSXDLAFC-HNNXBMFYSA-N 487.597 5.239 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C3=CC(C)(C)N(C(=O)c4ccccc4)C3)CCC2)cc1 1791730157 KYCLYMAWEIXWRS-UHFFFAOYSA-N 497.639 5.175 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCN4Cc4ccccc4)cc3)CCC2)cc1 1791743754 CUNGKUUULWSSNZ-NDEPHWFRSA-N 492.623 5.165 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccoc4)cc3)CCC2)cc(C(F)(F)F)c1 1791955955 WCBXJVRJBZMWPR-UHFFFAOYSA-N 481.474 5.551 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)/C(C)=C/CC)cc2)CCC1)NC(=O)OC(C)(C)C 1792065485 BEVLMFMTZPDBRL-DAMVKRJQSA-N 469.626 5.336 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(F)nc4)CCC3)cc2)c1 1792123248 PSBKNTRLNOUEBQ-IBGZPJMESA-N 470.548 5.228 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)NC(=O)CC5)CCC3)cc2)c1 1792126972 PGLQEGGHGZTXDF-IBGZPJMESA-N 492.579 5.260 30 20 JKED COc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1F 1792205486 NRNNRVDRSFZIOR-GOSISDBHSA-N 471.532 5.523 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(F)c(Cl)c1 1800705214 JXYCTXZNTKXBKP-BCDXTJNWSA-N 483.487 5.435 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(F)c(F)c3)CC2)[C@H]1c1cccnc1 1802494957 HZFAHHGGOLUDEB-YKSBVNFPSA-N 481.587 5.090 30 20 JKED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803223925 XNVWBLTYMNXZMQ-DIHQIUPISA-N 486.081 5.033 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803224642 LCESZBUGGATHLY-DURWQBQJSA-N 498.067 5.163 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)CCOc3ccc(F)cc3)C2)CC1)c1ccccc1 1805186859 RKMMJQCRBFBBKX-MHZLTWQESA-N 490.619 5.023 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1806679047 WPIITWJSZYICKN-UHFFFAOYSA-N 487.669 5.370 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(F)c2)[C@@H]1c1cccnc1 1807878116 PNRVEPHIEZLTBT-LOLUNWTRSA-N 498.602 5.371 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(F)c2)[C@@H]1c1cccnc1 1807878793 CYOOHLUEBGAEFH-YWEHKCAJSA-N 498.602 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)s2)[C@H]1c1cccnc1 1808795624 HQADSUALJZHMKB-PQNGQFLHSA-N 465.663 5.529 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)CC1 1808875370 COTHWMQZHUFWIE-CUBQBAPOSA-N 492.063 5.399 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809441963 RDKSMWPXKOHBRP-DFBJGRDBSA-N 498.048 5.252 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810173108 FEBURRHVZOWIGM-NMNUPHIUSA-N 489.513 5.328 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1810180870 ACNSXHKONCLMQV-BFLUCZKCSA-N 453.671 5.852 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1810273365 VYOHOSMNAQCBSU-LSYYVWMOSA-N 495.784 5.745 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccccc3C)C2)CC1)C(F)(F)F 1810355153 GFCADXNHOKXVRH-UHFFFAOYSA-N 471.523 5.020 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1810491262 BJYDURIZHVZYDF-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)[C@H]1c1cccnc1 1810503073 NWSDAFDNGGKWTM-ZCYQVOJMSA-N 472.589 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c(C)cc2OC)[C@@H]1c1cccnc1 1810503258 OZMROERIGMQOAK-WIOPSUGQSA-N 463.622 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc4c(C)snc4s3)C2)CC1 1810524185 AJQXMOBJCZLGMB-UHFFFAOYSA-N 459.681 5.503 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811430300 RPLDXSFZIBCNIF-PXDATVDWSA-N 477.992 5.569 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812301956 MKDFWAVSNINNJQ-FNZWTVRRSA-N 485.609 5.220 30 20 JKED C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CC=CCC1 1813587951 UCNPHXCQFVBSDA-CLLDFNAGSA-N 496.533 5.038 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1814108333 TZRKBEIOMNIGAR-QDPGVEIFSA-N 483.637 5.107 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Cn3ccnc3)cc2)[nH]n1 1814826808 BGAHBLYTKJCKOS-ZUSJUXBOSA-N 498.631 5.128 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)[nH]n1 1814830182 RANMZXQOUNBZOF-XMMPIXPASA-N 475.568 5.100 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccccc3C(F)(F)F)n[nH]2)c1 1816908451 CZASMTKQJKTWNR-JOCHJYFZSA-N 495.505 5.157 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)ccc3c2OCO3)n[nH]1 1818600001 LKYYHFMAURDPPS-KRWDZBQOSA-N 472.973 5.090 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)nc4ccccc34)n[nH]2)cc1 1818604755 FGARSZYNDJOQSV-HSZRJFAPSA-N 498.974 5.297 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)nc4ccccc34)n[nH]2)cc1 1818605163 SNIKVKFHZUKAJA-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606811 IRFPCTSTRTWHRO-KRWDZBQOSA-N 454.983 5.387 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)cc1 1819026284 BGDNHAGAIVMLFD-SFHVURJKSA-N 475.599 5.106 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820148773 FPIMCJRNLGBTGU-HYBUGGRVSA-N 497.599 5.226 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277867 ABRPLXLMGSTSKB-NRFANRHFSA-N 493.995 5.753 30 20 JKED CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821309073 VQPLHSUSDUXFKN-GOSISDBHSA-N 461.488 5.042 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCc2ccc(F)c(Br)c2)n[nH]1 1821780408 OBRBVRRXLBXFEI-HXUWFJFHSA-N 491.405 5.293 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)[nH]n1 1821926426 QUBYFOHQQHJLTC-KGHCKTCOSA-N 471.399 5.090 30 20 JKED Cc1ccc(COCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1C 1823213177 VROGGOSXSKKFJP-RLWLMLJZSA-N 499.615 5.176 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cnccc34)[nH]n2)c1 1823215277 PRKXSUDCEXDOJQ-AVRWGWEMSA-N 478.556 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccncc34)[nH]n2)c1 1823216827 OTOGEUXRWKRZEM-BVZFJXPGSA-N 478.556 5.205 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)c1Cl 1823381876 KVVWOQOCRHYRIA-QGZVFWFLSA-N 460.365 5.025 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1824538618 MWEJIMLTGMSVTP-GOTSBHOMSA-N 460.684 5.052 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)s1 1824542475 XOMUQMSLJDREDI-UGKGYDQZSA-N 465.729 5.064 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)o1 1824684605 FPSWRDVOVRPAAW-OAQYLSRUSA-N 473.495 5.026 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1824808186 AVDCLWXSGCMBOD-CUNXSJBXSA-N 487.644 5.107 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 1827336378 GGHQGQFKABTITB-NDEPHWFRSA-N 492.623 5.476 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c1 1827780039 UNTXTTAQSQQZAY-VGOFRKELSA-N 487.522 5.473 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1 1827923989 DZFVOZNIMTXOPS-AUSIDOKSSA-N 451.636 5.256 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)cc2c1 1828124046 GJXVAOOFGNIQRJ-GTCGAKFVSA-N 489.641 5.210 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)CC1 1828232301 LYAAZEJBQCTPPP-XNMGPUDCSA-N 459.634 5.545 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1828421911 LWIKIEXZNQOLRQ-BCQCSXDESA-N 466.666 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828827997 BFWHWTFXXMXCAE-BVAGGSTKSA-N 463.622 5.178 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1828906649 ZCKHJUBLCYVFRF-JOCHJYFZSA-N 483.754 5.514 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)cc2c1 1829690380 ZGUQIVDOHLXOEW-RUZDIDTESA-N 489.019 5.549 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1830415805 CZHPRKYWIFMVTF-NVQXNPDNSA-N 491.632 5.513 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Br)c2F)CC1 1830503233 JGTGCZOHZSTYRM-JXFKEZNVSA-N 465.407 5.034 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)C1 1830531054 DHCRKPGSRYKNFW-NRFANRHFSA-N 452.492 5.044 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830633309 JTUBEEQSBMYFLS-AMGIVPHBSA-N 457.618 5.098 30 20 JKED CNc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830755404 FEMVJZSSZBTHAW-DEOSSOPVSA-N 498.549 5.166 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806505 GQAKOLITUUENPG-SANMLTNESA-N 464.556 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@@H](C)Oc3ccccc3)CC2)c1 1831235303 OLGZAVKAKZGESV-MVOZIGHISA-N 487.644 5.405 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1831446793 HTFCGOTWIYIBFF-FQEVSTJZSA-N 468.972 5.183 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1831449433 ZMOWSWOORYBDKL-TZIWHRDSSA-N 464.984 5.201 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1831511564 ZWECWCZFIIOFHP-WXVAWEFUSA-N 457.618 5.180 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1832028275 OBQZCHNTVLDSSC-AREMUKBSSA-N 475.608 5.315 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832562638 WLSSIGZXDIAVRK-UTKZUKDTSA-N 467.437 5.126 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)cc1 1832682877 HSZRMCAUABVUIR-NDEPHWFRSA-N 485.628 5.089 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832996377 WGRFFABEHKDIIZ-GDLZYMKVSA-N 490.688 5.683 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1835682040 FGVYBWQGOJRJJY-JOCHJYFZSA-N 484.040 5.040 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)CC1)c1ccccc1 1838416774 MUVHETGGTPOPEH-PMERELPUSA-N 498.667 5.373 30 20 JKED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)C1)c1ccccc1 1844635598 CYTMJFHZURUZTH-DEOSSOPVSA-N 491.591 5.442 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2CCc2cccs2)n(C2CCCCC2)c1C 11107512 YOISCBVNNRACCW-UHFFFAOYSA-N 468.652 5.108 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159932 BTJWEIGDBKSIFF-UHFFFAOYSA-O 460.406 5.903 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccc(C)cc2)nnc1-c1ccoc1C 12056268 FEZJRIJPYAKSGR-UHFFFAOYSA-N 460.559 5.864 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccccc2F)ccc1Cl 14494507 CFQGXKZAYSKNCX-UHFFFAOYSA-N 479.360 5.766 30 20 JKED C=CCN(C(=O)CSc1nnc(C)n1-c1ccc(OC)cc1)c1nc(-c2ccccc2)cs1 14723482 ZTYBFQXXTAPIEI-UHFFFAOYSA-N 477.615 5.019 30 20 JKED COc1ccccc1-n1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1cccs1 15228541 CDHRVNBPACTMSQ-UHFFFAOYSA-N 481.990 5.260 30 20 JKED C=CCn1c(SCC(=O)c2ccc(CNC(C)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 21337305 MSOXGGHUGMDVMX-UHFFFAOYSA-N 462.619 5.040 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 21644698 ZFEYYFCLVUWMOA-IBGZPJMESA-N 487.585 5.022 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cccc3ccccc23)cc1 22693428 BZLQZCNRPOBYRP-UHFFFAOYSA-O 470.574 5.957 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 22730212 UXWOZTDAAZGUTG-UHFFFAOYSA-O 487.595 6.511 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)NCCc2ccc(OC)cc2)cc1 22802052 FACFMAWOVBBJJH-UHFFFAOYSA-O 475.678 5.632 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(Cl)c2)cc1 23604073 MVNPQZACOZGYFY-UHFFFAOYSA-O 455.047 6.527 30 20 JKED C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2scc(-c3ccccc3)c2c1=O 23631973 IWPNYDXTFRIPPP-OAHLLOKOSA-N 472.595 5.401 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 26966925 GJCBIMVEDLQHNH-UHFFFAOYSA-N 498.612 5.075 30 20 JKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1[C@@H]1COc2ccccc2O1 30547342 FINFTNVNFIPDNN-NRFANRHFSA-N 478.599 5.401 30 20 JKED COc1ccc([C@H](CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)NC(C)=O)cc1 46861596 HHRBHFFBMLCRFA-ZCYQVOJMSA-N 461.949 5.210 30 20 JKED C=CCn1c(SCC(=O)NCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 59794900 MZLNCHOAQVVIFP-UHFFFAOYSA-N 466.916 5.212 30 20 JKED Cc1nc(C)c(C#N)c(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 105633571 YJQHGJBVQUAEDF-XOBRGWDASA-N 465.966 5.070 30 20 JKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 109634207 OTYYCAIXEGUOBZ-UHFFFAOYSA-N 452.717 5.350 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)ccc2c1=O 218294696 XKOWAQRRJFPZHM-UHFFFAOYSA-N 453.527 5.041 30 20 JKED N#CCCSc1ccccc1NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 303295309 NJVRJRWMYLVHMU-UHFFFAOYSA-N 480.434 5.379 30 20 JKED N#C[C@@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(Cl)c1Cl 303393629 PGCALQRIKZBBPF-MRXNPFEDSA-N 491.728 5.658 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1(c2ccccc2)CCOCC1 409521083 LGARGYPWRHNNMW-UHFFFAOYSA-N 461.375 5.034 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)oc12 495360761 NQFFRJYHTDNUHU-MRXNPFEDSA-N 473.489 5.008 30 20 JKED C=CCn1c(SCC(=O)NCc2cc(Br)cs2)nnc1-c1ccc(Cl)cc1 501172338 QYNGCEKNGHCRGZ-UHFFFAOYSA-N 483.844 5.017 30 20 JKED CCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@H](C)c1ccc(Cl)c(Cl)c1 502833756 UUMJBZVDOVYDGF-OAHLLOKOSA-N 458.393 5.457 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)ccc1OC(F)F 503267470 CDRWTJIHGMCDRV-UHFFFAOYSA-N 493.510 6.466 30 20 JKED CC1CCN(Cc2ccc(CNC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2)CC1 510243672 LRSLUUVSTNJRDS-UHFFFAOYSA-N 492.674 5.256 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(OC)c1 511538809 KRBFQFLOTJUCTA-DEOSSOPVSA-N 470.529 5.197 30 20 JKED CCCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(Cl)cc1 514892144 NLFLASJYJGAHKH-UHFFFAOYSA-N 472.039 5.551 30 20 JKED Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)n1 515649386 IXKNJVZWUUNXIG-UHFFFAOYSA-N 450.542 5.315 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2C#N)C1 516069718 DMNKCQQBNLQVRQ-GFCCVEGCSA-N 481.496 5.872 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)cs1 516270038 LCJKYKBCEOQNQZ-NRFANRHFSA-N 472.620 6.229 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516458450 ARUWAJKUGGTLCW-XMMPIXPASA-N 473.960 5.157 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4nc(C(F)(F)F)ccc4c3C)n2)cc1 516714092 PBEWRPJVCSEGCZ-HNNXBMFYSA-N 473.501 6.246 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccco2)cc1 516744821 ADSGRCSVVSNFLH-UHFFFAOYSA-N 451.482 5.111 30 20 JKED C=CCCO[C@H](C)C(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 519999761 SWMRUXIZGYRTHW-CRAIPNDOSA-N 465.413 5.066 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c1C 520928319 RTMWASFFPSBQGT-SFHVURJKSA-N 479.627 5.751 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1Cl 520945212 PHNDMTAEUKZCIB-IFMALSPDSA-N 496.419 5.941 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(OC2CCCCC2)cc1 521813228 AARCVKFYHKCRJJ-SFHVURJKSA-N 451.592 5.047 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 524436494 ZESYZWACVAUWEP-FQEVSTJZSA-N 465.435 5.211 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 524439550 ZLYNIVFDOXEKEJ-VWLOTQADSA-N 463.484 5.329 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1 559851683 ZNFPJSIONMHXFI-HSZRJFAPSA-N 487.506 6.022 30 20 JKED Cc1cc(C)cc(N(C(=O)CN(C)CC#N)c2nc(-c3ccc(Br)cc3)cs2)c1 576297147 REFJHZPAYJCNRC-UHFFFAOYSA-N 469.408 5.310 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CC[C@@H](c2ccccc2F)C1 593447346 DLFHTJRSVULESS-CYBMUJFWSA-N 480.380 5.729 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)s2)cc1 602228320 CEWRXNKFEWLRCT-UHFFFAOYSA-N 455.568 5.163 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1cccnc1 603900984 SYBDMSRJXCFERW-UHFFFAOYSA-N 482.613 5.294 30 20 JKED COc1cccc(Oc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)c1 604016324 PYWHNSCEBBJXRI-UHFFFAOYSA-N 484.512 5.462 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCCC2)cc1Cl 604139307 RSRWFKLUFNRBAE-DEOSSOPVSA-N 471.988 5.562 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)c2)cc1 604461478 NZFKXLGKDYCGEP-OAQYLSRUSA-N 476.527 5.258 30 20 JKED N#Cc1ccc(NCC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1 608879966 JTJYGRWPSNZFQI-UHFFFAOYSA-N 458.905 5.496 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 609086880 GHRODZZLDQAEHQ-AVRWGWEMSA-N 483.568 5.292 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1 609111331 IAKJQWGVCLJZOS-UHFFFAOYSA-N 495.054 6.759 30 20 JKED Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1NC(=O)c1ccc(Br)cc1 609192012 XPOZGLFLRBJAMA-UHFFFAOYSA-N 456.384 5.412 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1 609206862 JFQKAQFQMXSQPX-UHFFFAOYSA-N 464.529 5.547 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609378115 RZXUAQKNFXGMQO-UHFFFAOYSA-N 475.561 6.633 30 20 JKED N#C[C@H](C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613320258 VOGKIJUYMMTOMF-OAQYLSRUSA-N 469.957 5.747 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1F 613387122 MAQQXUJQROUADZ-JKSUJKDBSA-N 450.539 5.374 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 613403807 JFQXVVVQRGOYND-HXUWFJFHSA-N 467.479 6.083 30 20 JKED C=CCn1c(SCc2csc(-c3cnn(C)c3)n2)nc2cc(-c3ccccc3)sc2c1=O 613960183 LBDJGKMVLOSDPJ-UHFFFAOYSA-N 477.640 5.460 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2ccco2)nnc1-c1ccc(Cl)cc1Cl 620677427 GWKBEROSAVHZPD-QFIPXVFZSA-N 499.423 6.029 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 620914629 KYABARDWLZDIKN-UHFFFAOYSA-N 461.008 5.073 30 20 JKED C=CCn1c(S[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccc(F)cc1 639430448 JNMYBLZMRAQPGK-IRLDBZIGSA-N 466.582 5.027 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 726111522 KMTJHBREFLNORZ-YCRPNKLZSA-N 499.637 5.442 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 726321965 QKMAIFZOFAQEAH-OPAMFIHVSA-N 452.514 5.673 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1Cc1cccs1)c1cccs1 726415170 FLAFCCHZZMJTEH-BKJSLCDGSA-N 499.639 5.098 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(OC(C)C)cc1 726415847 PPZPTDLWOCARQD-QFIPXVFZSA-N 467.591 5.047 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1)c1cccs1 726422373 WMVSPRWIPYDSCL-CIKHDRDXSA-N 467.591 5.477 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2nc(-c3ccccc3)no2)cs1 726739296 KECGJEYZJOLEAZ-UHFFFAOYSA-N 472.452 5.343 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 726840372 FLBJTZBUIHLLAH-UHFFFAOYSA-N 451.548 5.108 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)cc1 726940864 WVDXJDOSNVZYEZ-UHFFFAOYSA-N 475.474 5.822 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1ccccc1OC(F)F 728062368 KECRPYCJSFZPFU-KRWDZBQOSA-N 451.473 5.486 30 20 JKED Cc1cccc(-c2nnc(S)n2CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 728081449 CVBWRBZMJXASEL-UHFFFAOYSA-N 483.597 5.330 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCCCC#N)C1=O 728778177 CLWLXVDHPCWZSS-HSZRJFAPSA-N 495.048 5.791 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3scnc3C)C2=O)c1 729142209 HMOYQFRMSOBOKE-OAQYLSRUSA-N 494.642 5.237 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cocn2)C1=O 730714943 ZUIFOOPTXJPHIZ-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O 730716799 ANLHRQITZICMSD-IBGZPJMESA-N 489.384 5.450 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(Cl)cc1 730717642 QJWVEDXRESJVHF-LEWJYISDSA-N 492.004 5.086 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1Cc1cocn1 730719090 WUEPSMFITQKCBT-NRFANRHFSA-N 482.993 5.359 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(=O)n(Cc5ccco5)c(S)nc4c3)cc2)c1 731345505 ZIBWRFLZNSZRLE-UHFFFAOYSA-N 494.532 5.243 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746998943 GRBULUWAJBCAMF-LVXARBLLSA-N 479.605 6.132 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCc2nccs2)C1=O)Nc1ccc(F)cc1 747598283 AODRRMAXBSGDGF-GOSISDBHSA-N 488.997 5.139 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cscn3)C2=O)cc1Cl 747600320 PNWBONZLJVOVHN-IBGZPJMESA-N 488.997 5.405 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1Cl 749337926 JEPJMTWWNLHZBX-KRWDZBQOSA-N 469.950 5.220 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc21 761097655 WVIAQFOXWNASAM-UHFFFAOYSA-N 493.441 5.801 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CC(F)(F)F)C2=O)cc1 799209731 CEVVWSVIJMHRFF-FQEVSTJZSA-N 471.504 5.671 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(CC(F)(F)F)C2=O)cc1 799215239 SIOIKJXTSGAJLX-IBGZPJMESA-N 479.524 5.225 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@H](C)c1cccnc1 838491628 LFSVJPKCNVZMLP-OPAMFIHVSA-N 495.004 5.465 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 839841333 LSSVQMAMKRCQON-AREMUKBSSA-N 466.610 5.832 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](C)Cc2ccco2)C1=O 914694994 ZZQOCHXHFOOMSH-ZHRRBRCNSA-N 498.004 5.533 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OC)c(F)c2)c1 915116506 IOJQSIIOEFBKLQ-HSZRJFAPSA-N 493.560 5.003 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(N/C=C2\C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1 915186015 AXCXJMDBIKLMJO-YPJZEPPUSA-N 456.505 5.377 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccco3)C2=O)c(OC)c1 916204451 GFUCKOYALHGYJA-HSZRJFAPSA-N 493.585 5.074 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc2ccccc2c1 916209390 KNOXTMGYLFANBP-PKTZIBPZSA-N 477.561 5.118 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2ccc(Br)s2)c1=S 916567687 MQPKTEQXBOUYMM-UHFFFAOYSA-N 453.406 5.320 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)s2)cc1 916691683 BHKQRBFCLLJGGM-UHFFFAOYSA-N 477.571 5.235 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 916692388 CWXFJBJJIWHYKN-JIQALNGASA-N 497.020 5.064 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 916910212 SAQRZQBINFFRJZ-DHLKQENFSA-N 495.579 5.296 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 916950886 WIBUIUCUAQCFMT-UZUQRXQVSA-N 471.532 5.861 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 917488039 BIBQJANKCGCXGY-UHFFFAOYSA-N 450.583 5.267 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1 919714246 XOKDROSWRCYPIL-RTWAWAEBSA-N 464.352 5.640 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 919984970 XKHCNTBJRFLIGT-UHFFFAOYSA-N 460.873 5.367 30 20 JKED CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 920112666 GIOGBIIPLVKPQW-HYBUGGRVSA-N 474.511 5.144 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCc1ccccc1 920143509 XAYDFJAMCDLHCM-JOCHJYFZSA-N 465.534 5.759 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cc(C)on3)C2=O)c1 920353893 VYJXHUSOXGCZPI-QHCPKHFHSA-N 476.602 5.377 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cc(Cl)cc(Cl)c2)no1 920355028 HBJVEWKAQWMLTG-IBGZPJMESA-N 489.384 5.450 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)cc1 1540963248 PJMQYFOIHBLYAZ-LJQANCHMSA-N 450.420 5.212 30 20 JKED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3CSc3ccccc3)C2)C1 1781940485 KSCNNRAYXUUBFS-GDLZYMKVSA-N 490.669 5.191 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)c(Br)cc4Cl)CCC3)cc2)CC1 1787880779 IMCBITLNFRZMJD-UHFFFAOYSA-N 490.760 5.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C(F)(F)F)cn3)cc2)CCC1 1788389419 SLZYMYXYAMDMRF-GOSISDBHSA-N 458.484 5.012 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4Cl)cc3)CCC2)c1 1788480927 HLOURAVQUCQTJF-UHFFFAOYSA-N 487.922 5.240 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3c(F)cccc3F)CCC2)cc1 1788650031 QXKIKWOAVSNMAO-VAWYXSNFSA-N 466.509 5.213 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1789576793 FIEGNTDINFCGAD-MUFRIFMGSA-N 486.959 5.348 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)cc2)CCC1 1790127320 UMWFYGKKZSQFJX-UHFFFAOYSA-N 450.489 5.036 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CCC1 1790226890 TUYGQXNEJHBJMW-MZJWZYIUSA-N 470.356 5.453 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)C1 1790744413 DOELISIDQBAZSC-UHFFFAOYSA-N 464.363 5.035 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ncccc5[nH]4)CCC3)cc2)c(Cl)c1 1790767724 JLWARSVQQZEGJV-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)CCC1 1791399705 YUKFWWLMZXHXAL-NRFANRHFSA-N 495.664 5.514 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@@H](C)CN3C(=O)OCc3ccccc3)CCC2)cc1 1791587658 BTXXWLNLQZKUDH-PXDATVDWSA-N 489.616 5.134 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3c(CC)noc3C)CCC2)cc1)c1ccc(O)cc1 1791646363 PLOMWKYYPGIXFK-OAQYLSRUSA-N 485.584 5.196 30 20 JKED COc1cc(F)ccc1CC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124240 RJOJSXXOXBKNGM-LJQANCHMSA-N 485.559 5.452 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)ccn4)CCC3)cc2)c1 1792125030 QKQHEYKPLGHMDY-QGZVFWFLSA-N 492.501 5.789 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205300 VIRUSXQZCBZRHP-QHCPKHFHSA-N 495.664 5.560 30 20 JKED C[C@H](Sc1ccccc1)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792236818 ZTPOEGRAZZOAGF-FQEVSTJZSA-N 485.609 5.252 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1792496265 JJCKXHVIWYASGC-AYEHBTSNSA-N 496.598 5.080 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCc2ccc(C(F)(F)F)cc2)c1 1793515386 GMRJRKNLORHZPU-FUJBWUKOSA-N 497.561 5.607 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)oc1C(F)(F)F)c1ccccc1 1795140144 KTRAQFJAXFCGFA-PLACYPQZSA-N 472.507 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(F)(F)F)nc2ccccc12 1798204331 HQFOCEOKHNFPGJ-BCDXTJNWSA-N 473.539 5.498 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2c(F)cccc2Cl)[C@H]1c1cccnc1 1802492866 RECJRSZBRLSFIT-CYFREDJKSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccnc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1802493375 XOASLNAVBPPYCW-ISKFKSNPSA-N 462.638 5.086 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1Br 1803907600 HVJDBHOWVBEGNR-YVSFHVDLSA-N 465.819 5.123 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1)c1ccc(O)cc1 1808214894 GFMNZPZMNNAHCR-HXUWFJFHSA-N 485.049 5.149 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4cccc(F)c4s3)[C@H]2c2cccnc2)cc1 1809205697 RFCFMHVRIWRCHY-WIOPSUGQSA-N 498.583 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@H]1c1cccnc1 1810498977 RHCILGCIHDLTML-BJVABOMWSA-N 465.682 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1810504418 ZNTPTFWGEXNORR-GCJKJVERSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810929537 AZHNYOGMWLYGQX-GCJKJVERSA-N 491.529 5.552 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#Cc4ccccc4)cc3)[C@H]2c2cccnc2)o1 1811252797 XVUVWMJLCLFNEJ-LMSSTIIKSA-N 489.575 5.016 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)cn3ccccc23)[C@@H]1c1cccnc1 1811342479 LTRNQULIJUVALD-RNAHPLFWSA-N 490.607 5.124 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811419534 IBKAVBPQRBFPLV-SNYIIPAISA-N 467.013 5.143 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3c(Cl)c2OC)[C@H]1c1cccnc1 1811438549 NRKSCRACSNNPKA-CTIGNXTNSA-N 492.019 5.429 30 20 JKED Cc1ccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4)[C@@H]3c3cccnc3)sc2c1 1812221757 VMYJGZAPIMETMW-JYFHCDHNSA-N 480.593 5.110 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)[nH]n1 1814828849 KONVALIXIKKDRQ-JOCHJYFZSA-N 467.520 5.244 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165140 DSRYLIXJITWCPY-FQEVSTJZSA-N 464.953 5.433 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213219 CZPCICKYPSLHTF-SFHVURJKSA-N 483.560 5.036 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)cc2c1 1818567820 ZTZDPZDAODAZEO-IQGLISFBSA-N 480.572 5.446 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c3ccccc23)n[nH]1 1818984161 USDVMTBGJYMKEL-QFIPXVFZSA-N 493.405 5.435 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)[nH]n1 1819304879 LOSIDUWCYTYRCT-UYAOXDASSA-N 476.606 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)[nH]n1 1819311258 SIXWRRFQVNNDLJ-PXNSSMCTSA-N 456.974 5.146 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2OC(F)F)[nH]n1 1819311451 ZUZBKTOGZLPKST-LPHOPBHVSA-N 458.509 5.085 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)cc1 1820426596 HTQIMUCTKHHTES-OAQYLSRUSA-N 479.943 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4cc[nH]n4)cc3)n[nH]2)c1 1821233718 SHNFQJOSJHFVHZ-IQGLISFBSA-N 493.571 5.047 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)[nH]n2)c1 1823216236 REKYLTWDOIWXKQ-ZJNJKDKRSA-N 467.573 5.146 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)[nH]n2)CCC1 1823377201 AIOLOFLSENBUTA-QGZVFWFLSA-N 467.982 5.278 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1823715297 ZINCJPWUCCQWHZ-FIBWVYCGSA-N 474.645 5.125 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1824053923 LSJZFAASTZLIPP-MHZLTWQESA-N 496.611 5.079 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1824145191 VWHAHXXBSJFYSO-GIPLCNRYSA-N 468.613 5.236 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1824539423 WKMZZAHFYVQVFH-JTHBVZDNSA-N 474.070 5.076 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1824960914 AKYTZZRCFMBVOA-JOCHJYFZSA-N 479.086 5.280 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)CC1 1825890671 MQDMEHCWPKRJNB-NRFANRHFSA-N 465.560 5.326 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991109 HTWIVSMLUYLOGR-JTSKRJEESA-N 488.053 5.079 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828508255 SLDZXRGMAIVDFG-HSZRJFAPSA-N 496.449 5.385 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sc(N)nc3c2)CC1 1829067029 AJMMPSLZVNHXCQ-NRFANRHFSA-N 468.667 5.104 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc3cnccc23)CC1)c1ccccc1 1829593730 UGDRRTICDUBWMH-XRKRLSELSA-N 494.639 5.060 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829927541 VSSJOUHWKXHOID-LVXARBLLSA-N 473.617 5.259 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829959242 QAKAWNZINJINFS-QHCPKHFHSA-N 469.507 5.124 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830418263 RYGMORDFFTUGHB-YIXXDRMTSA-N 492.664 5.128 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)CC1 1830557880 ZANOYUBCPYUBFE-NRFANRHFSA-N 479.846 5.139 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c1Cl 1830718211 VLQMVGOEEHONPC-HSZRJFAPSA-N 467.972 5.206 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830731036 OJAURKNMTDQCEH-ICSRJNTNSA-N 475.457 5.320 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1830787557 GYBDXQVQAGOEKU-CUNXSJBXSA-N 487.644 5.486 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1)C(F)(F)F 1830829620 CHPFPWWJSJROPX-NRFANRHFSA-N 479.930 5.240 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1831845009 NNSGWGZCZZMKSM-KKSFZXQISA-N 489.479 5.154 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)c(F)c3C)CC2)c1 1832619498 LKFWLUCAPJIDQO-XMMPIXPASA-N 465.544 5.000 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cccnc34)CC2)c1 1832632387 ONEDFMCSCIFVDO-KDYSTLNUSA-N 480.612 5.409 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)CC1 1832666839 WYCHKNQMPOCCGP-QHCPKHFHSA-N 459.030 5.350 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)CCC1 1832781315 XMQUXRUXRNCTLA-HSZRJFAPSA-N 489.582 5.342 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1833076391 BVHWFRUQAKOLQK-DQEYMECFSA-N 486.100 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](CC#CC)c3ccccc3)CC2)CC1 1838416770 MJTUECDCCFFBGN-HHHXNRCGSA-N 478.677 5.175 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1838759570 XYDHGSACEKATAH-YADHBBJMSA-N 467.654 5.142 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)CCc3cccc(C#N)c3)ccc21 1847472537 VTNVMADEHCYGPZ-VMPREFPWSA-N 490.607 5.134 30 20 JKED CN(C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)C1(C#N)CCCCC1 8989081 DIKLIUUDRLNDNY-UHFFFAOYSA-N 458.031 5.491 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)n1C 10179222 VLVRZVIVFTWMGZ-UHFFFAOYSA-O 487.476 6.166 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc3ccccc23)cc1 11127340 ULXLXJXAMAWTJX-UHFFFAOYSA-O 465.642 6.619 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc(Cl)c2C)cc1 11257475 AWYSUPKYLIPUQV-UHFFFAOYSA-O 450.436 6.264 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC)cc2)nnc1-c1ccc(Br)cc1 12101156 LLCNEINEVVGQKZ-UHFFFAOYSA-N 475.437 5.346 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(Cl)cc1Cl 14070312 MOHRLWAJMLUPPE-UHFFFAOYSA-N 461.374 5.371 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1cccc(CO)c1)c1ccc(Cl)s1 14872557 VANWSFPJTWTJFX-UHFFFAOYSA-O 487.932 5.131 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)nc2sc(C)c(C)c2c1=O 16715557 QQFIGNITZLCVOB-AWEZNQCLSA-N 492.464 5.451 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(OC)cc3OC)no2)nnc1-c1ccc(Cl)cc1 17708540 UDYPRJGJJBIDBU-UHFFFAOYSA-N 469.954 5.144 30 20 JKED O=C(Nc1cccnc1)/C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)c1ccccc1 18064588 FBNMVDYMJQBEJW-JJIBRWJFSA-N 481.939 5.892 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1C 20053995 GYDGMVRMMXANLO-UHFFFAOYSA-N 473.627 5.647 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)nnc1[C@@H]1COc2ccccc2O1 21243891 LBNYVJLDLFWGGA-DEOSSOPVSA-N 489.597 5.807 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1CC=C 23405229 BXVMQZSYFUCVGC-INIZCTEOSA-N 459.662 5.018 30 20 JKED CCN(CC)C(=O)COc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 27440102 QCGYTRWDCFCXFJ-UHFFFAOYSA-N 459.571 5.209 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 28793554 AOCFFFQAAGKMDE-UHFFFAOYSA-O 462.639 5.742 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29955675 YYIZZCVLZOMBDH-IVZQSRNASA-N 464.447 5.126 30 20 JKED CCn1c(SCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)nnc1-c1cccs1 32288550 RZQDHWUNIAOTEP-UHFFFAOYSA-N 475.599 5.208 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)sc2nc3n(c(=O)c12)CCCCC3 68734822 NNLIHDFNNNMOPQ-UHFFFAOYSA-N 498.608 5.390 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)cc1 71941215 WROLAQLFZOXGHM-UHFFFAOYSA-N 460.965 5.339 30 20 JKED COc1ccc(-c2cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)sc2C)cc1 104522836 OSINXBDUULPJBJ-UHFFFAOYSA-N 458.539 5.640 30 20 JKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(NC(=O)Nc2ccccc2)cc1 108602172 KVQOFANGFCPBIU-FQEVSTJZSA-N 460.537 6.360 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 195579729 HPFYOOQWSUHYNP-UHFFFAOYSA-N 472.307 5.340 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 195723979 PJXZFJMPFWHGME-UHFFFAOYSA-N 453.336 5.165 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 302957646 FXGIMLVIKKOXMP-UHFFFAOYSA-N 464.312 5.799 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2ccc(OC3CCCCC3)cc2)CC1 303105689 MPCYXAYAFDHHRU-UHFFFAOYSA-N 474.561 5.051 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1 409469251 ISVKDDQOLMXOJG-UHFFFAOYSA-N 453.473 5.394 30 20 JKED CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 410390921 SSQQLOBASYNZRD-UHFFFAOYSA-N 456.745 5.114 30 20 JKED C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 480185868 SZRKQGGQSVZAFD-XMMPIXPASA-N 498.627 5.086 30 20 JKED CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nnc1-c1cccs1 487991181 DWROUPNIFVOUTD-UHFFFAOYSA-N 491.617 5.358 30 20 JKED C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2C1 492094114 IRUZFBUPQVVSGN-RWVGPTSPSA-N 489.579 5.180 30 20 JKED COC(=O)[C@H](C)SCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 498123635 FFYZNLIZQKKNSJ-VIHMKRCTSA-N 470.616 5.533 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c(C)c1 498841896 YCSFOTZKZYTDOY-KRWDZBQOSA-N 480.613 5.419 30 20 JKED Cc1ccc(-c2csc3nc(CSc4nc5c(c(C)c4C#N)CCC5)nc(O)c23)s1 499436545 BKIKEGHQLLZISH-UHFFFAOYSA-N 450.614 5.790 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 501132318 ALMGKLKWVFXQDI-UHFFFAOYSA-N 483.543 5.966 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 501159312 HUIOASPQULLNMB-UHFFFAOYSA-N 471.561 5.220 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 501705994 KQPBGRBUWZLKDF-UHFFFAOYSA-N 464.550 5.287 30 20 JKED COc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc(Cl)c1OCCC(C)C 501749686 WYINKYQHVRJIBU-UHFFFAOYSA-N 483.996 5.136 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1C 501764506 JCPBVIREWGUMKI-UHFFFAOYSA-N 476.527 5.094 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)CC2)c1 502667053 JOGDRIMZTJLMHW-UHFFFAOYSA-N 458.493 5.372 30 20 JKED N#CCCCCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 505047449 FSBFNVUPJREOTC-UHFFFAOYSA-N 482.005 5.159 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 506569286 BMJDKPDVTXIGOM-HXUWFJFHSA-N 482.609 6.646 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4cccc(OCc5ccccc5C#N)c4)CC3)c2c1 508468664 AEEIZJIFOKHQRD-UHFFFAOYSA-N 463.537 5.557 30 20 JKED N#CCc1ccc(NC(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)cc1 509715723 XBLAFIHEMSPJJR-UHFFFAOYSA-N 450.498 6.054 30 20 JKED CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 510213599 QYNGXUVCAYNZCG-OAHLLOKOSA-N 453.593 5.372 30 20 JKED CCCOc1ccc([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC 510235411 JJVQIEDSPKNMMW-OAHLLOKOSA-N 483.619 5.382 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc(O)c2c3c(sc2n1)CCCC3 513659767 HKSCQFVHIVYLIX-HNNXBMFYSA-N 489.578 5.265 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 513863830 MOQUFJSQUMDHNX-AREMUKBSSA-N 459.521 5.489 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cc1 516269892 CDUZIVDBALDZFA-UZLBHIALSA-N 499.552 5.785 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)o2)cc1 517461234 FXXOPESPXWBKON-UHFFFAOYSA-N 458.461 6.426 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 517474029 KXOZSXGXGOWAER-CBGDNZLLSA-N 491.032 5.314 30 20 JKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(OCc2ccccc2)cc1 519130397 MZKCBPAVHSBVCM-HSZRJFAPSA-N 483.549 5.041 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519508410 IZFBAKPJNIDHCG-UHFFFAOYSA-N 450.489 5.224 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 521055704 WIMKTUIZYYDPBB-RUZDIDTESA-N 457.961 5.288 30 20 JKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(OC)cc1NC(=O)c1ccccc1 521193001 YOVVTDHABULVPZ-UHFFFAOYSA-N 486.572 5.518 30 20 JKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3C(F)(F)F)CC2)nc1 521449364 IZQTWIIVPPBSBU-UHFFFAOYSA-N 467.451 5.118 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1 521561900 SWIPKUIFJZLVHB-HNNXBMFYSA-N 453.539 5.028 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)cc1OC 521581083 WFOMTAVUXGHDRT-KRWDZBQOSA-N 482.968 5.179 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 523285729 GDZJBYQOMMMBTR-UHFFFAOYSA-N 488.975 5.171 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(OC(F)F)c1 523533700 CKLSMKRQRZDALO-KRWDZBQOSA-N 453.464 5.772 30 20 JKED Cc1cc(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(C)c1OCC(F)(F)F 553665282 RWOHDTBQMAWVEI-KRWDZBQOSA-N 465.541 6.303 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 589907467 PMFZTDRFCBKGFZ-UHFFFAOYSA-N 498.970 6.124 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)cn2)cc1 603764347 MJOYGFDTHMLOGE-NRFANRHFSA-N 481.339 5.296 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC2)cc1 603831595 MXWJWGFDEKEDLI-UHFFFAOYSA-N 482.584 6.009 30 20 JKED N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 603997994 LRBGKOARBGMMAL-GOSISDBHSA-N 465.376 5.576 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2Cl)cc1 604089575 FQAJXPRRFSVTNQ-UHFFFAOYSA-N 488.935 5.095 30 20 JKED CCC[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 608864261 CXGQXJNPJKNSFR-HSZRJFAPSA-N 458.528 5.336 30 20 JKED COc1ccc(C[C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c2ccccc2)cc1OC 608949125 UCNJJAREXVHOFO-HSZRJFAPSA-N 475.614 5.088 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 609060514 GLXVTOGLMOXKPZ-AREMUKBSSA-N 489.984 5.667 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208715 CARVSBJLLMHGEV-RUZDIDTESA-N 457.530 5.572 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)s2)cc1 609357147 RTGFVCALPYQHIB-QGZVFWFLSA-N 497.580 5.302 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1SC[C@H](C)C#N 609378048 VKOQRDNDXUNRGD-FOIQADDNSA-N 474.424 5.094 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccccc2)cs1 613392671 YGYIGCXWXVBCNZ-HSZRJFAPSA-N 477.545 5.139 30 20 JKED C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 615326921 WFGUZWGXWTVQME-NSHDSACASA-N 486.815 6.215 30 20 JKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 622485074 CZUZTIKAVWHVRI-QGZVFWFLSA-N 499.377 5.755 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 622493635 ADJCSXZSIWQGCU-UHFFFAOYSA-N 459.312 5.417 30 20 JKED O=C(c1ncccc1C(F)(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518187 YAFWCYDLCPMLKP-CQSZACIVSA-N 472.307 5.352 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SC(c1ccc(F)cc1)c1ccc(F)cc1 684255057 GUHNLBWDFIYSKF-UHFFFAOYSA-N 454.590 5.652 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2n1C(F)F 726322929 RJNSBWIOCMRCEQ-HNNXBMFYSA-N 476.430 5.993 30 20 JKED CCc1cccc[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1sc2ccccc2c1C 726569697 HRQHIKFOXKJDFS-UHFFFAOYSA-O 474.631 5.566 30 20 JKED Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2occc2COc2cccc(C#N)c2)cs1 726692040 RQNRYMYTFHBLLT-UHFFFAOYSA-N 487.537 5.033 30 20 JKED N#Cc1ccccc1/C=C/C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 726764918 ZLFQLACCTQHABK-OUKQBFOZSA-N 455.901 6.098 30 20 JKED C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 729430865 CSRAJHVVPLCXMD-VIFPVBQESA-N 473.291 5.927 30 20 JKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)c1cc2ccccc2n1CC#N 729768456 GZINSURESDITFX-UHFFFAOYSA-N 451.954 5.519 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1=S 731027848 QYTJAKGIGSSQHN-RDGATRHJSA-N 487.629 5.779 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 731308324 NGPOECPXBMELAO-JPYJTQIMSA-N 474.586 5.126 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 731311964 JGSFPPBSMXXZNR-SBUREZEXSA-N 489.622 5.465 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccc(F)cc1)c1cccs1 731312477 OHROHHAFRBSAAE-PEIXWMAYSA-N 497.617 5.225 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1=S 732485179 AISUAPMLLICPOI-NRFANRHFSA-N 454.571 5.218 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1=S 742558269 LOSSHWLVXNNFCX-HSZRJFAPSA-N 497.709 5.260 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)ccc1S(=O)(=O)C(F)F 747065974 GPVNWIRKRZMXIH-VQHVLOKHSA-N 452.475 5.455 30 20 JKED COc1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2C)ccc1S(C)(=O)=O 747067527 XOJOOLXRIFALGM-SQFISAMPSA-N 472.566 5.156 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cscn3)C2=O)cc1 747602939 QKJFLCWJOGNHCE-OAQYLSRUSA-N 498.605 5.232 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 748618153 GEHXITTYXMPOEL-HSZRJFAPSA-N 476.561 6.423 30 20 JKED CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 751114566 HUGQPLILYIGYAM-UHFFFAOYSA-N 488.487 5.097 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3ccc(Oc4cccc(C)c4)cc3)nc(O)c2C#N)cc1 824952740 DPLACQMHHYMQOK-UHFFFAOYSA-N 498.564 5.561 30 20 JKED C[C@@H](OC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)C(=O)NC1(C#N)CCCCC1 899999092 JUNJHLOEAWPDQZ-QGZVFWFLSA-N 461.493 5.036 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1 914546646 QTCBXTMMBVVVMU-HSZRJFAPSA-N 477.561 5.133 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](C)Cc2ccco2)C1=O 914694992 ZZQOCHXHFOOMSH-KSFYIVLOSA-N 498.004 5.533 30 20 JKED Cc1ccc(-c2nnc(COC(=O)[C@H](C)Sc3cc(C)c(C#N)c4nc5ccccc5n34)o2)cc1 914892795 GROVJJKRERFLHX-KRWDZBQOSA-N 483.553 5.250 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)nc(O)c2c1C 915088689 UXWRYOYMQXOCBG-UWJYYQICSA-N 488.638 5.930 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103906 HNHQCINKELNYMQ-IEBWSBKVSA-N 455.461 5.456 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(C2CCCC2)C1=O 916208018 RFVMNOVGWKRKCB-JOCHJYFZSA-N 451.592 5.215 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1 916210767 ILTKXOXWXQEXFW-LJQANCHMSA-N 459.518 5.191 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccccn2)C1=O 916213055 XEVFSDDSNOSQFH-DEOSSOPVSA-N 488.613 5.339 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCCC2)C1=O 916217171 GYZUQPGRIXRPLF-HXUWFJFHSA-N 491.535 5.617 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(F)(F)F)c1 916217513 OMCSDSBDEOAFBA-IBGZPJMESA-N 479.524 5.474 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 916881803 YOGFLHPDDAZHAY-IBGZPJMESA-N 469.324 5.542 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 916906464 UATMCAHYVITPBN-OFNKIYASSA-N 482.540 5.070 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(Cc2ccccc2)n1 916907219 VWYJRJCTEZLEKT-FQEVSTJZSA-N 453.523 5.487 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1Cl 916941160 PVMASGVEIFUJNZ-OAQYLSRUSA-N 489.934 5.916 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976977 YULFMVSQMTUWQH-ACJLOTCBSA-N 473.982 5.539 30 20 JKED Cc1ccc([C@H](NC(=O)COC(=O)c2ccc(COc3ccccc3C#N)o2)c2cccs2)cc1 917329104 ZJHDIENWQAUIAJ-SANMLTNESA-N 486.549 5.163 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cs1 917560761 YREBTLGOUFEQDG-JAFZKPNWSA-N 479.945 6.219 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)S1 917622821 FFMIRSHAWLGPPV-ZHZULCJRSA-N 491.082 6.402 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3ccnc(C)n3)C2=O)cc1 917652438 AVDRCJFAIKYOGR-RUZDIDTESA-N 495.608 5.407 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)c1 917674904 XRLYYZINRXWMMS-DEOSSOPVSA-N 487.629 5.179 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1cccc(C)n1 917694282 FDCGTSLNDDFLCQ-XMMPIXPASA-N 488.613 5.176 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1ccccc1 917703175 MWSKUFKUTMCPEF-HSZRJFAPSA-N 490.535 5.039 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)c1 917713019 KGYIQTNLYDPYNK-DENIHFKCSA-N 487.572 5.228 30 20 JKED C=CCN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 918714702 PXSCVMSTQFBWDJ-UHFFFAOYSA-N 490.199 5.200 30 20 JKED Cc1ccc(-n2nnc(C(=O)/C=C/c3cccc(NC(=O)c4ccccc4Cl)c3)c2C)cc1 918752787 BKEJLNWGIOLRIE-NTCAYCPXSA-N 456.933 5.686 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cs1 919637772 SCIOEMODUMWKNA-DEOSSOPVSA-N 477.586 5.463 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)cc12 919666208 ISSZWDJEDJRRPF-SFHVURJKSA-N 483.380 5.723 30 20 JKED CCOc1cc(Br)c(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1OCC 920013425 TYXJXZUZODERGL-UHFFFAOYSA-N 458.312 5.063 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 920804230 MOMPVCZDVNODLR-OAHLLOKOSA-N 471.941 6.284 30 20 JKED CC(=O)Nc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)ccc1C 1785797533 OXLHKAGJHNDAHG-UHFFFAOYSA-N 494.595 5.206 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)cc1 1785880817 OUJSBGBORVVLSG-SXOMAYOGSA-N 479.580 5.047 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3=CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786284120 IZCRSWKLDZMOQG-HSZRJFAPSA-N 479.621 5.066 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccnn4C)c(Cl)s3)CCC2)cc1 1786370544 ABHAJIBAEVOSHA-INIZCTEOSA-N 499.036 5.141 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C(F)(F)F)cc2)CCC1 1786781330 PMXMQWVNZFVWFL-NRFANRHFSA-N 479.568 5.122 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)CCC3)cc2)CC1 1787878377 JCQNRCZSJSRYAU-UHFFFAOYSA-N 460.921 5.046 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC(F)(F)F)cc3Cl)CCC2)cc1 1787888291 AFDADJAXAFOCNG-UHFFFAOYSA-N 479.886 5.333 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5[nH]ccc5s4)cc3)CCC2)cc1 1789101062 MSEACJGMWBONQL-UHFFFAOYSA-N 454.555 5.091 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)CCC2)cc1 1789455205 NVYMZJHLNKCUDE-OYDLWJJNSA-N 495.664 5.534 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)CCCn3ccnc3C)CCC2)cc1)c1ccccc1 1789600442 LTKNJMWWNSUXGG-MHZLTWQESA-N 482.628 5.303 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789932464 OKGWFIHKPBPDNF-HXUWFJFHSA-N 455.558 5.087 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)cc2)CCC1 1790015334 DUSAKNBFAXYLMT-UHFFFAOYSA-N 462.553 5.621 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3O)cc2)CCC1)c1ccccc1 1790117897 RMRHILRZWIDWJL-DEOSSOPVSA-N 467.569 5.041 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4OCCc5ccccc54)CCC3)cc2)cc1 1790705313 RWSYXGFDJXPIRV-MHZLTWQESA-N 479.580 5.204 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OCC4CC4)c3)cc2)CCC1 1790740175 PLJAANWPLZNWPW-UHFFFAOYSA-N 484.543 5.443 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c(F)c4)CCC3)cc2)c(Cl)c1 1790767767 JVLWJWPRIUTQAY-UHFFFAOYSA-N 463.896 5.118 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)cnc4s3)cc2)CCC1 1790987464 PIAFFIZKJNHAMG-UHFFFAOYSA-N 497.418 5.356 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791007430 QBYPBMWNTOEMNN-LJQANCHMSA-N 466.537 5.372 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccc(F)cc34)cc2)CCC1 1791486978 AQFHGAZPRAAHSI-GOSISDBHSA-N 478.568 5.175 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792393959 WIVMWOVYCWURQO-SFTDATJTSA-N 483.653 5.370 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCc2ccc(C(F)(F)F)cc2)C3)cc1 1792478138 XWBHUTDSUJXFQJ-QEIWAGNOSA-N 497.561 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3nc(-c4ccccc4)ccc13)C2 1793051583 RJZWFQVQXFISOE-NUNAXRQHSA-N 468.601 5.250 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)c(Br)cc1Cl)C2 1793052650 GGNAXLMSNSUQFL-MUJYYYPQSA-N 483.809 5.262 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1Cl)C2 1798334166 NVTBTNCMNZRDEZ-ZMMAXQRCSA-N 484.946 5.301 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccccc2Br)CC1 1800178523 PANQOEQFNUQMPC-REPLKXPHSA-N 473.455 5.111 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 1802061593 DYNJNFGTPKUEGG-LILSUDLASA-N 473.455 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(F)c(F)c3)CC2)[C@@H]1c1cccnc1 1802494938 HZFAHHGGOLUDEB-HYBUGGRVSA-N 481.587 5.090 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1802503808 UJMDATJVXSSABP-NFBKMPQASA-N 476.646 5.312 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@H](C)c3ccc(OC)cc3)C2)CC1)c1ccccc1 1805321937 JGMBIBXXBBOOKF-YWEHKCAJSA-N 486.656 5.227 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)C1 1805334086 SDUVKAUQTBGMDP-XZOQPEGZSA-N 496.985 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)C1 1805456223 JNVKBBYFPFYMGA-UHFFFAOYSA-N 450.410 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1810176131 ZVITVWZCVQBJHH-OARDWFSCSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)[C@@H]1c1cccnc1 1810503997 VATIAPVXXUZNRK-DUPVDZBCSA-N 475.633 5.192 30 20 JKED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1811412161 FPUIQLKRUXAVGW-WXVUKLJWSA-N 481.706 5.315 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c(OC)c(C)c2)[C@@H]1c1cccnc1 1811550233 YRJRYVUPPHOYCI-VWNXMTODSA-N 463.622 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1811714434 CRYSLCPSKORDMB-YCRNBWNJSA-N 472.416 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1813825623 GDVGBWAKYULVIA-NZQKXSOJSA-N 454.014 5.355 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1813869602 LBTKCJLICOAQKF-ALMWLNPSSA-N 472.633 5.245 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[nH]n1 1814827536 RKQBQCZFDOJJHM-VWLOTQADSA-N 487.604 5.488 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)n[nH]2)C1 1814936758 IEDVWCXZAYKJFI-GGAORHGYSA-N 455.002 5.461 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3oc4ccccc4c3C)[nH]n2)c(O)n1 1816241399 HOJPSTACEWPIED-QFIPXVFZSA-N 499.571 5.303 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)s2)n[nH]1 1816399888 XNSUDGBZFSKKLC-QGZVFWFLSA-N 477.106 5.482 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)n[nH]1 1817766611 MPFVPQIXVCNUMB-FQEVSTJZSA-N 496.493 5.100 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)cc1 1818810911 OZOANSVGBYJUQO-AKNQKSQZSA-N 493.567 5.366 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)[nH]n2)cc1 1820548605 IULSRFIIRMGICB-LJQANCHMSA-N 485.441 5.059 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1820969803 DGBNDLSBMIDVPK-KSSFIOAISA-N 488.013 5.385 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)[nH]n1 1820973589 LYIRZXRLINFQOD-IFXJQAMLSA-N 480.396 5.132 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821125972 CFYMGMGUDAWKBA-KRWDZBQOSA-N 486.947 5.307 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OCC4CC4)cc3)n[nH]2)c1 1823268901 SWPUFWOERIRDLK-SANMLTNESA-N 497.599 5.009 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC(F)(F)F)[nH]n2)cc1C#N 1823291042 GZRHYHKYYQRVHW-LJQANCHMSA-N 491.514 5.107 30 20 JKED Cc1cc(F)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1823316213 CMUXPXSXFJZJLB-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)C1 1823697019 FWCFCOWICQEIEE-DEOSSOPVSA-N 459.030 5.085 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cc(F)ccc3Br)CC2)C1 1824370219 SZLXIADPCGJJFY-QHCPKHFHSA-N 491.445 5.107 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1824879618 FQXGHHYVEUTQKO-AREMUKBSSA-N 496.026 5.146 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1824963016 WWRGVPYQVOOEQV-FQEVSTJZSA-N 489.003 5.511 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1)c1ccc(O)cc1 1825881722 ZFEBGPUGFKKEQI-RPLLCQBOSA-N 476.617 5.033 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccc(C)cc3s2)CC1 1826201897 BITAIWWQUKLRDV-LJQANCHMSA-N 461.578 5.049 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1827531041 SMTFRBWGCLLEFH-ISKFKSNPSA-N 497.083 5.552 30 20 JKED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683575 DPTODTUIUSFZPQ-SJUVIOCWSA-N 496.648 5.125 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(C)(C)C)c2)CC1 1828821895 UHSIOUDVTNYDMC-RPWUZVMVSA-N 451.655 5.381 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1828824577 LSCSXLJZXKMPEY-RJRADHEHSA-N 477.693 5.439 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1828906785 HXGKWHZKBRLDDR-AREMUKBSSA-N 492.736 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1829066204 UYYUDXMEGVEXGE-NRFANRHFSA-N 479.587 5.255 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829571870 HKMNYWAIPAQRSN-BKMJKUGQSA-N 493.673 5.616 30 20 JKED C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)Oc1ccccc1 1829693326 ZDVNOFYRNDKOLJ-NLFFAJNJSA-N 494.035 5.303 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc4c3CCCC4)CC2)cc1 1830629204 RVOVBXAPHLWIAT-RUZDIDTESA-N 475.658 5.240 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C(F)(F)c2ccco2)CC1)c1ccccc1 1831143608 KVXOVIGSRHHUKL-BJKOFHAPSA-N 482.571 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)CC1 1831204672 VPZULZIYLGTSLV-FCEKVYKBSA-N 479.709 5.458 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1831444891 YQPHZBGHJKUXPI-QHCPKHFHSA-N 473.539 5.266 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1)C(F)(F)F 1831453363 RBHHZRSMRLERST-DEOSSOPVSA-N 486.534 5.831 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1832030010 AJFISTBCIZNSDX-VWLOTQADSA-N 495.067 5.167 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Cc2ccccn2)CC1)c1ccccc1 1832084638 BWNNEEJJALCCII-MHZHKKNFSA-N 485.672 5.077 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564915 QUULRMVMLKCYTD-UWJYYQICSA-N 482.452 5.336 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(C)cc(C)cc3C)CC2)c1 1832576833 SYZDZYKDPYTKRK-AREMUKBSSA-N 473.617 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)CC1 1838122929 YKSDWJSJZVBNBR-UHFFFAOYSA-N 489.660 5.353 30 20 JKED CC(C)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)CC2)cc1 1838390873 RNQDIGCPJNXPRN-UHFFFAOYSA-N 496.768 5.473 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)C(=O)Nc1ccccc1C#N 8759713 SQRJRGBQEBMQKK-AWEZNQCLSA-N 478.936 5.169 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)c1 10172652 RQCBZANVROJIIC-UHFFFAOYSA-O 455.647 6.009 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174060 HDRMWGADBOXVMW-UHFFFAOYSA-O 479.931 6.139 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179114 KTVIEZKKZBSEAC-UHFFFAOYSA-O 488.416 5.665 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1 10693851 MFUIGTQXWXHUID-FQEVSTJZSA-N 461.518 5.091 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1cccc2ccccc12 11125494 NGDVANRZWALSBL-UHFFFAOYSA-O 487.648 7.408 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(CO)c1)c1ccc(F)c(F)c1 11158928 SLJXOSWWVBROFB-UHFFFAOYSA-O 468.332 5.102 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nc2scc(-c3cccs3)c2c1=O 11381863 JMXGFTRSPFEHFP-UHFFFAOYSA-N 481.624 5.306 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc3c(c2)CCCC3)cc1F 14872468 OZUSIPFCERVSML-UHFFFAOYSA-O 460.019 6.066 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc2sc(-c3ccccc3)cc2c1=O 16715728 CJIIKIFATQKYPB-CQSZACIVSA-N 483.565 5.709 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)nnc1-c1ccoc1C 23519608 BRYCJOMVJCCPNV-SJLPKXTDSA-N 450.608 5.269 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C(C)C)CC1 23585835 ZNNQGQVUFYDHPI-IOXSGPKDSA-N 461.031 5.042 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 23604957 PEJNUWQXTDXCPH-UHFFFAOYSA-O 473.037 6.666 30 20 JKED COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 23778909 DOSCZJLFFHMOCD-MRXNPFEDSA-N 469.998 5.178 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccc(F)cc1 24014696 GGFYAWWAADFKTK-RUZDIDTESA-N 490.579 5.749 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)O[C@H](C)C(=O)Nc4ccccc4C#N)c23)cc1 26083574 VJDRWGFHKLSKCT-MRXNPFEDSA-N 488.594 5.201 30 20 JKED C[C@@H]1CN(Cc2csc(/N=C(\O)c3sc(-c4ccco4)nc3-c3ccccc3)n2)C[C@@H](C)O1 29609402 QJIYWWDGQXLLHH-HZPDHXFCSA-N 480.615 5.772 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 78665393 VPWNPAIZAIDAKW-QGZVFWFLSA-N 483.622 6.161 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 105708418 UWAXEAMTAZYGSP-RBUKOAKNSA-N 497.068 5.279 30 20 JKED Cc1nc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)sc1SCC#N 303126429 OJAJVESBPOGDFI-UHFFFAOYSA-N 454.524 5.391 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)cc2F)c1 481385789 QDTPAQFVEKGTMM-NOZRDPDXSA-N 471.532 5.057 30 20 JKED C=CCN(C(=O)c1cccc(C(=O)N(C)C)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 482263488 CBLRNTJPZUBBJE-UHFFFAOYSA-N 467.594 6.012 30 20 JKED C=CCN(C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1 484216915 FNANTSQVTYUMHQ-KRWDZBQOSA-N 461.612 5.905 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)cc1 486046333 PNAKOYLLZYXVOA-QHCPKHFHSA-N 468.557 5.214 30 20 JKED N#CCCN(Cc1ccco1)C(=O)c1cc2cc(Br)cc(Br)c2o1 490625776 GGQNNVHJBIDBMB-UHFFFAOYSA-N 452.102 5.107 30 20 JKED COc1cc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OC1CCCC1 498346971 ZQNVREUJKSUKCN-OAQYLSRUSA-N 486.616 5.902 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(C)cc2)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 500509937 IZKDXWXBYBGODM-UHFFFAOYSA-N 495.651 5.478 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(COc4cccc(F)c4)c3)CC2)c1 502605175 XFZBHDOUXGROLL-UHFFFAOYSA-N 472.520 5.159 30 20 JKED N#Cc1cn(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c2ccc(Cl)cc2c1=O 502819624 JUDJMNCYGDDBKU-IBGZPJMESA-N 478.986 5.027 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 507829863 ZWPAWJIUVSIRJT-GOSISDBHSA-N 458.518 5.125 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)oc12 511351217 AQHVONSCSCNYIA-IBGZPJMESA-N 469.541 6.359 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3Sc3ccccc3C#N)s2)cc1 514518851 JWLBBAMISVNFSG-UHFFFAOYSA-N 452.564 5.881 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1)c1ccccc1 517533641 YJLQKCOEXKIKSS-SIKLNZKXSA-N 464.635 5.387 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)n2)cc1 517800748 GGXKUIWGVDBJLV-NRFANRHFSA-N 471.494 6.009 30 20 JKED C=CCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 518168058 WPOKOXIGIXKPKI-UHFFFAOYSA-N 463.437 5.492 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 518685024 VTRIZMHNSVBBEU-HNNXBMFYSA-N 477.417 5.235 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2)cc1 519032887 DZCLSQUEKYTTRL-IBGZPJMESA-N 458.493 5.372 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 521811618 NSORJHWVTAFOTD-HOTGVXAUSA-N 467.513 5.003 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 522424964 GIVZJVZPDVGXTB-OFNKIYASSA-N 458.953 5.557 30 20 JKED Cc1ccc(-c2ccncc2)cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 523179127 BLPXIZCTTOQZPP-UHFFFAOYSA-N 453.502 5.032 30 20 JKED COc1cc(CN(C(=O)c2occc2COc2cccc(C#N)c2)C2CC2)ccc1OC(F)F 523272996 OLCPJBLYWNRFRS-UHFFFAOYSA-N 468.456 5.145 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 524406158 JUQAWXHANANSIA-UHFFFAOYSA-N 497.576 5.499 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2F)c1 524496594 RTUUSYLXVGWAFD-FQEVSTJZSA-N 490.510 5.298 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)cc3)n2)cc1 556583339 HEMRFQZQTXQOLL-JXALWOEJSA-N 487.625 5.777 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccccc4Cl)n3C)c2C#N)C1 561198163 XTRGDKZWQXEXCH-ZDUSSCGKSA-N 472.039 5.314 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)s2)o1 569097812 YTALDZLEQKCCAQ-UHFFFAOYSA-N 451.495 6.297 30 20 JKED C=C[C@@H](CC(=O)N1CC(CN2CC(C)(C)c3cc(-c4cnn(C)c4)ccc32)C1)c1ccccc1 584303268 MEEKRCOFIIIKFX-QFIPXVFZSA-N 454.618 5.003 30 20 JKED Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603833894 KPZABPVVAYGFRH-UHFFFAOYSA-N 474.605 5.296 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(Cl)c1 608928391 OCTFVGUTMBWRGW-UHFFFAOYSA-N 471.913 5.387 30 20 JKED CCCc1ccc([C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 608992168 XSRMJDKKCGPUHM-VWLOTQADSA-N 459.619 5.025 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 608995695 HZOPHZYRZSCHFO-UHFFFAOYSA-N 482.584 5.143 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cn1 609057115 AERYISRLLHWTKP-UHFFFAOYSA-N 455.470 5.487 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](c4cccc(Br)c4)C3)c2)cc1 609208526 PRRLWYWYJDAZME-QHCPKHFHSA-N 478.346 5.718 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nc2sc(C)c(C)c2c1=O 613899879 ABRZTOYBCVJHHL-OAHLLOKOSA-N 467.616 5.319 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1 726073520 HLDWDUNQCMMVMA-UHFFFAOYSA-N 464.491 5.810 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N([C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726393417 OLPPFGXIUQUJMG-TZIWHRDSSA-N 493.551 5.179 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 726414796 FAWRFBKJPXLGSN-DVECYGJZSA-N 488.613 5.590 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)c1 726419297 DNXIQCPFRUDRFO-YUGFFRFOSA-N 494.642 5.050 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(CCC#N)C(C)C)ccc1Cl 726533133 QHGHVFLHVJJOCQ-UHFFFAOYSA-N 480.417 5.139 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/CCc3sccc3C2=O)cc1OC 726892607 NRKZDTZZYZJVSJ-WJDWOHSUSA-N 483.973 5.649 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)N1CCc2sccc2C1 728062464 OPNCJXUMLLFKKT-INIZCTEOSA-N 451.979 5.237 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)n2)c(F)c1 728307262 QYXNJSRJVZKRPS-UHFFFAOYSA-N 473.533 5.439 30 20 JKED N#Cc1ccc(SCC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 728456581 LOVQSAOQYKRPLB-UHFFFAOYSA-N 467.890 5.070 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2CCCCC#N)cc1 728779031 WRWXNEUHIUXOSQ-HXUWFJFHSA-N 499.980 5.211 30 20 JKED CN(CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1)C(=O)OC(C)(C)C 729035904 JXJVUTDWHKGEMM-XMMPIXPASA-N 462.594 5.453 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)c1 729142781 LCQYDOGTXQRCKN-NRFANRHFSA-N 489.626 5.101 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 729888057 BRQPEHBCNXFWJW-IEBWSBKVSA-N 490.387 5.687 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(C[C@H]2CCCO2)C1=O 730537417 QULYDQNWNJBJHI-AUSIDOKSSA-N 499.608 5.062 30 20 JKED Cc1ccc2c(c1)[C@H](N1C(=O)[C@@H](CC(=O)Nc3cnccn3)SC1=Nc1ccc(Cl)cc1)CC2 730717475 NFNJSMKRSSEJPA-NHCUHLMSSA-N 492.004 5.086 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2nc(C(C)(C)C)cs2)CC1 731029680 BZAGDTNRUFFGCX-QGZVFWFLSA-N 456.681 5.653 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 731031040 PDLMRAGGYBELJU-BAGYTPMASA-N 486.682 5.273 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 731081042 UJDCJGQQFJZQGY-HNNXBMFYSA-N 464.509 5.417 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cc(Cl)cc(Cl)c1 731308699 MEINQRNQGBAKCQ-YJYMSZOUSA-N 496.416 5.084 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2cccs2)cc1F 731308935 OMHYBPCVKXUKHK-OAQYLSRUSA-N 483.590 5.104 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccsc1 731310393 HGLIHEBZAAKNJD-FQEVSTJZSA-N 465.600 5.231 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O)Nc1cccc(O)c1 731311985 GVEHWWABUHPXFA-DEOSSOPVSA-N 482.565 5.101 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H](O)c3ccc(OC(F)(F)F)cc3)cc2)c1 731399464 CTIKEELFHOAAFX-NRFANRHFSA-N 457.408 5.104 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 744806984 FPKCDRRGNUXSJH-UHFFFAOYSA-N 480.594 5.050 30 20 JKED COC(=O)COc1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)cc1 745020792 QTEGHKOFDHREMC-JXMROGBWSA-N 458.333 5.021 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 746693804 COBQLAWUJLAWEE-HSZRJFAPSA-N 460.603 5.092 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cc3ccccc3[nH]2)cc1 746695691 HCFRMDGGHYUMQW-HSZRJFAPSA-N 460.603 5.092 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1Cl 750303447 LVJOLEHRNFNXHN-RBBKRZOGSA-N 489.881 5.749 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2 755852728 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917665428 AQGRFVHRYZLXQD-HSZRJFAPSA-N 491.592 5.208 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)c1 917678551 XHSHIECBSHLZOG-QHCPKHFHSA-N 477.561 5.133 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 917699594 DBUQEAWZXJALAY-KRWDZBQOSA-N 499.976 5.121 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)c1 917712072 CPPSTWPQMVAURY-HSZRJFAPSA-N 458.587 5.366 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c1 918331143 LOTQPMRQXNVVRR-OBGWFSINSA-N 461.543 5.034 30 20 JKED CCCCOc1ccc(C=NOCC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1OC 918608472 WROXYILKZPXKLP-UHFFFAOYSA-N 499.995 5.425 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)c1C 918944193 HSCPFVSKHYMAPE-MHZLTWQESA-N 480.568 5.101 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2OC)c(OC)c1 920109960 LDOQMOCVMNJFCY-QFIPXVFZSA-N 497.551 5.141 30 20 JKED CCc1c(C(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)[nH]c(C)c1C(C)=O 920490785 VSNBOCLLNCKOLV-UHFFFAOYSA-N 460.555 5.292 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 920873148 NTPWCPORMKNTKI-HXUWFJFHSA-N 456.546 5.378 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 920962195 RLEZVLCFYQTGBE-GOSISDBHSA-N 457.555 5.298 30 20 JKED Cc1cc(C)n2ccc(C(=O)NC3(c4ccc(NC(=O)CCc5ccc(C#N)cc5)cc4)CCC3)c2n1 1785797457 LLZXAILSLUCYPY-UHFFFAOYSA-N 491.595 5.203 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccc(F)cc4)cc3)CCC2)cc1 1786032755 ZYJVDXWJAKFMFY-UIOOFZCWSA-N 467.544 5.443 30 20 JKED CC(C)C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1786242484 IKWAHRZBRQSCCA-QFIPXVFZSA-N 496.652 5.144 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CCC2)cc1 1786360384 CQSNUMPYTVIBHE-FQEVSTJZSA-N 492.579 5.016 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C3CCN(c4ccccc4)CC3)CCC2)cc1 1786365310 DTVPMTBUPGDHKR-UHFFFAOYSA-N 475.633 5.020 30 20 JKED Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)c1 1787433021 SIXMRSDEEFHJRH-UHFFFAOYSA-N 478.474 5.342 30 20 JKED CC1(C)CCc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)c[nH]5)CCC4)cc3)c2O1 1788496678 QYSYGDMREHTLMP-UHFFFAOYSA-N 468.557 5.051 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1 1788952183 PRKWXLSRAXFKRY-UHFFFAOYSA-N 472.665 5.362 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CNc4ccccc4O3)CCC2)cc1 1789453766 FITBSEGTAVLZOR-DHIUTWEWSA-N 459.590 5.152 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nc(C)oc3C(F)(F)F)CCC2)cc1 1789454114 QOGLVSQVEVZQSV-GOSISDBHSA-N 461.484 5.518 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)N4CSCSC4)cc3)CCC2)c1 1789580837 BESVBQCRYXRTBK-RBUKOAKNSA-N 494.686 5.104 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)n(C(F)F)n1 1790082748 LZTUBHDXVYFVIN-UHFFFAOYSA-N 483.906 5.173 30 20 JKED 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XKDHMXBJZJALEQ-SIBVEZHUSA-N 479.571 5.068 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830451828 HJMSIWVXJLEFQG-AOYPEHQESA-N 465.544 5.032 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)ccc2[nH]1 1830717137 QACBKSOQZWYGSI-AREMUKBSSA-N 472.564 5.034 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831376547 PUXAPEIMAMGUKJ-ZBLYBZFDSA-N 473.617 5.007 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1831849501 YIFWGIPJEJGHNR-VWLOTQADSA-N 495.461 5.639 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1832030283 KRAKISIZFYSHON-JOCHJYFZSA-N 466.519 5.271 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c(Cl)c1 1832607309 FSKDIALCADFYKI-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1832826451 YYGGOPGCEDKNAI-DEOSSOPVSA-N 497.561 5.414 30 20 JKED C=C(C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1)C(F)(F)F 1845546893 MKMJZBNNTARTCU-UHFFFAOYSA-N 480.486 5.568 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NC1(C#N)CCCCC1 8988939 OXBPSKPYBTTWNK-INIZCTEOSA-N 458.031 5.537 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(CC)cc2)c1C 10173411 ZEFFJPVNSQZPAW-UHFFFAOYSA-O 464.611 5.017 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccc(F)cc1 10498680 SACSTWHHHLYXNE-JOCHJYFZSA-N 464.591 5.330 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1C(F)(F)F)[n+]1cccc(O)c1)c1ccc(Cl)cc1 11156733 MNLHCZCEASJFBT-UHFFFAOYSA-O 451.877 5.403 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccccc1C 11165570 JLCGKABCUBFJTQ-UHFFFAOYSA-O 451.615 6.563 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)n1 11208214 RJPSJGMYWRQCBD-UHFFFAOYSA-N 461.513 5.416 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc(Cl)cc1 16862799 STSVDXPFYYCMFR-ZDUSSCGKSA-N 464.925 5.505 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(C3SCCCS3)cc2)n(Cc2ccco2)c1C 17181555 GKJRWULJHSDDJZ-UHFFFAOYSA-N 495.626 5.282 30 20 JKED C=CCOc1c(Br)cc(/C=C(\C(N)=S)c2nc3ccccc3[nH]2)cc1OCC 17476178 SNMMEMQPLBOPOQ-GXDHUFHOSA-N 458.381 5.116 30 20 JKED Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 18530012 HTVFEXJILUTGCZ-HNNXBMFYSA-N 465.600 5.505 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(Br)cc1 20291136 GXQVKFDJMMDZFX-UHFFFAOYSA-N 485.407 5.217 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1C(F)(F)F)[n+]1cccc(O)c1)c1cc(F)ccc1F 22695044 CEUVTCLKDHRWLY-UHFFFAOYSA-O 453.412 5.028 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1C 23518468 UTXBUSCMEUMFLV-HNNXBMFYSA-N 460.962 5.263 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COc4ccccc4C(N)=O)c3C#N)C(C)(C)C2)o1 31637995 QVUFLIQKAFUCRP-PKNBQFBNSA-N 487.581 5.416 30 20 JKED C[C@@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 31696845 RCYMWSAAINCWFP-CYBMUJFWSA-N 492.651 5.203 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1NC(=O)c1ccco1 113144923 ITYJIWMSPOAZDH-HNNXBMFYSA-N 456.285 5.108 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1F 216106286 CIMPNDYGERWMCL-AWEZNQCLSA-N 475.387 5.460 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)s2)cc1 302979597 JJTZSNPLJJAAMC-ROUUACIJSA-N 489.651 6.000 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 303135565 CVISIUVUKKJFET-KRWDZBQOSA-N 451.473 5.930 30 20 JKED Cc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)cc1 303292391 XFSZGBGJBHSZHZ-VWLOTQADSA-N 453.567 5.621 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 409509050 VDONGKXQSVBASG-CQSZACIVSA-N 481.362 5.073 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 410350957 GBZLLWUHDDSXMO-SANMLTNESA-N 490.519 5.249 30 20 JKED CC(=O)Nc1cccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)s2)c1 497340420 PLHOJGDNYKMHHT-QGZVFWFLSA-N 494.646 5.284 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2)n1 499780977 MKFNMEUAMIZLBO-UHFFFAOYSA-N 450.542 5.446 30 20 JKED Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 500919108 PLQQKZPORGBQFE-NRFANRHFSA-N 470.573 5.225 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)o2)cc1 501147227 HVMWMKAGDMYDEJ-UHFFFAOYSA-N 453.517 6.135 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)c2)cc1 501470172 WYNFSBPFSPIXNM-UHFFFAOYSA-N 451.526 5.948 30 20 JKED C[C@@H]1[C@@H](n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)CCC[C@H]1C 502127053 SYOWQVQVHDHAKD-FGSXEWAUSA-N 492.670 5.740 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 506559049 BXWIRYZUPMDSKT-XMMPIXPASA-N 455.558 5.164 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 510006594 QDUFEGPUUAUZLN-NRFANRHFSA-N 475.936 5.258 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)nn1-c1c(Cl)cccc1Cl 510363020 JYGADCGSCVYUGS-GFCCVEGCSA-N 456.358 5.797 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)cc2Cl)cc1 511609097 INBCBCYSLNJZMI-UHFFFAOYSA-N 465.981 5.808 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccs2)C(C)C)nnc1-c1ccc(Cl)cc1Cl 512683565 UQMXXPLWUULXGU-UHFFFAOYSA-N 481.474 6.029 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 512857711 SJZRJNKGEVWASE-UHFFFAOYSA-N 451.592 5.092 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nc2ccccc21 513982611 GFXKNFWTVFPLBT-BKMJKUGQSA-N 484.003 6.734 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)NCc1ccccc1)c1ccccc1 514400435 MJDWSGSXBVVRAL-RUZDIDTESA-N 454.599 5.205 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)c2C#N)C1 514704117 MTVQIELKTUHMEG-JXFKEZNVSA-N 451.592 5.141 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 516466975 OYLLHKRWYDBBBN-UHFFFAOYSA-N 475.446 5.125 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)sc2c1CCCC2 516481374 VZIBQVPFEWRIGF-UHFFFAOYSA-N 456.493 5.833 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 517461994 XUZWCNFIZONIII-IFXJQAMLSA-N 462.402 5.488 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 517532868 PXIGHYSWWKAHAE-KOSHJBKYSA-N 455.587 5.879 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 518170265 ZHIHUACQVOJENO-OAQYLSRUSA-N 481.625 6.172 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 518256244 ROYVMGIQDCDYJH-INIZCTEOSA-N 476.524 5.090 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nnc(-c5cccc(C)c5)o4)cc3)n2)cc1 518516558 KKQVBEIJODRJJG-QHCPKHFHSA-N 492.560 6.334 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nc(-c2ccncc2)cs1 518642150 XGJBPQORMHATNE-HXUWFJFHSA-N 473.989 5.803 30 20 JKED COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1 520835924 ZRXWGGDCQMUJOV-INIZCTEOSA-N 469.657 5.942 30 20 JKED C=CCN(C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 520925951 HCMMGNPHAGJEGW-IBGZPJMESA-N 495.612 5.220 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 521107805 IEANSFYVTAZUAG-OAQYLSRUSA-N 458.533 5.215 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 521738741 AFZGVQKVQQVYBO-BFYDXBDKSA-N 453.530 5.125 30 20 JKED CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 521740296 WEDBXDDWJFLAGC-SFHVURJKSA-N 463.603 5.624 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 521807766 AHQAEFQEBWVURK-UHFFFAOYSA-N 458.274 5.227 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 522424485 ZVLFJEFMDOEBMS-HXUWFJFHSA-N 483.572 5.490 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(N2CCCC2=O)c1 523190916 JZYYJVKEPZSERJ-HXUWFJFHSA-N 470.548 5.297 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ncccc3OCCCC#N)cc12 524234432 PDWPMZRYUBQPJW-UHFFFAOYSA-N 465.966 5.438 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 524437544 QWASGDKUNPRMPV-UHFFFAOYSA-N 488.975 5.089 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](C)c1cccc2ccccc12 576964190 QUUNZIOKOIOIFI-HXUWFJFHSA-N 463.537 5.415 30 20 JKED CCCCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(OC)cc1 589901797 NGZCJGZCYOTODH-UHFFFAOYSA-N 481.647 5.297 30 20 JKED CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cc1 594690011 MYTMJBNYTHVSTH-QGZVFWFLSA-N 493.610 5.194 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2oc3ccccc3c2CSCc2ccccc2)CC1 603590272 FIUMSUYFKPXDCV-UHFFFAOYSA-N 498.608 5.566 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 603601145 RMZQHZKBKBLHCI-UHFFFAOYSA-N 485.569 5.113 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603690853 YWRULVNURFRSID-UHFFFAOYSA-N 470.316 5.155 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cc(F)c(Cl)cc1Cl 603701494 NHGOSVSBMYNJBX-GFCCVEGCSA-N 473.291 5.007 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@H]2CCCC[C@@H]21 603764884 PSCZJZFDJJTKHX-YNJKOYDBSA-N 496.567 5.166 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(I)c1)c1nc2ccccc2n1C(F)F 603846325 OZOFHKXWVUHHEZ-JTQLQIEISA-N 471.632 5.179 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)c2)cc1 603920886 FNWSXSDNGCZEIN-QHCPKHFHSA-N 477.973 5.427 30 20 JKED CCc1ccc(OCc2nnc(S[C@@H](C#N)Cc3ccccc3)n2Cc2ccccc2)cc1 603990117 JOEOQEANFHFGIJ-RUZDIDTESA-N 454.599 5.695 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)s1 604464146 ARBXGYSDVZTBFH-UHFFFAOYSA-N 471.538 5.481 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 604562126 UYDXZSVZBSNHMV-INIZCTEOSA-N 456.502 5.127 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)cc1 604562169 BSXPIENXJIWPPX-FQEVSTJZSA-N 482.584 5.807 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCc3ccccn3)Cc3ccc(F)cc3)cn2)c1 608891627 AUZIZBMDDJWDCK-UHFFFAOYSA-N 467.504 5.556 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)s2)cc1 608983263 IJZUONMKFAWZSW-QFIPXVFZSA-N 492.004 5.239 30 20 JKED COc1ccc(Br)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609063259 UBQSEUPSKOXMSV-UHFFFAOYSA-N 471.738 5.814 30 20 JKED Cc1cccc(NC(=O)CSCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1 609151760 FXWZLHZCPZIGJF-UHFFFAOYSA-N 463.990 5.425 30 20 JKED Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)sc2nc3n(c(=O)c12)CCCCC3 609176688 SKHJXZAXTUUCIS-UHFFFAOYSA-N 470.554 5.409 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(COc4ccccc4Br)cc3)CC2)c1 609184990 NBDDZNUYUZLJQS-UHFFFAOYSA-N 491.385 5.583 30 20 JKED CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N 609377843 PRECAALAAIHUBZ-WZONZLPQSA-N 451.636 5.629 30 20 JKED Cc1[nH]c2ccc(CNC(=O)C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2c1C 609403589 INPMKCWWXQYFIV-UHFFFAOYSA-N 474.508 5.064 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nnc(-c5cccc(C)c5)o4)cc3)n2)cc1 613314364 MCXYKEDBZDHANM-HSZRJFAPSA-N 476.561 6.634 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)NCC#Cc3cccc(C(F)(F)F)c3)c2)cc1 615761360 YZAPCSBAEZTBPB-UHFFFAOYSA-N 465.475 5.117 30 20 JKED O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 622584805 KNCDJXQZYFGAEC-NRFANRHFSA-N 489.435 5.433 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)s2)cc1OC 642282509 YNLUWRVGDXHYKG-CQSZACIVSA-N 468.485 5.371 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 726399793 OOYMJBFDNHHKCW-KXBFYZLASA-N 479.524 5.091 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C#N)c(Cl)c1 726407199 PHQCAGCMCVSOPC-QGZVFWFLSA-N 480.899 5.211 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC(C)C)cc1 726415993 QFWGXYKJFAZCBN-CVDCTZTESA-N 483.634 5.168 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)cc1 726433938 BLFYDIVUPSSBRX-UHFFFAOYSA-N 456.980 5.130 30 20 JKED COc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1NC(=O)OC(C)(C)C 726501491 BWLVYAITSOOUBR-UHFFFAOYSA-N 463.490 5.338 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2ccc3c(c2)CCCC3)c1 726572789 OOFBTFQBUGTFIO-UHFFFAOYSA-O 451.571 5.904 30 20 JKED CCOc1cc(/C=C\c2nc(C)c(C(=O)/C=C/c3ccc(O)c(OCC)c3)s2)ccc1O 726847489 BHPRWWRBBPIMEL-UQXQTEIVSA-N 451.544 5.727 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(F)c2)cn1 726888329 BKLUHZXTVQLIMF-JOCHJYFZSA-N 492.576 5.007 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)cc2C)cn1 726890945 YRRNFUNHHVJCFS-QFIPXVFZSA-N 492.576 5.007 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2)c1C 727253078 ZKCXQPSZPDCWKQ-HSZRJFAPSA-N 493.608 5.128 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2Cl)ccc1Cl 728007867 RDSUEEPEAXKIAU-UHFFFAOYSA-N 479.360 5.766 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(N2CCCC2)nc1Cl 728081647 KBVVJPPRFDNAIR-UHFFFAOYSA-N 452.967 5.408 30 20 JKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 728119485 NDJKUDURWAJTCO-XMMPIXPASA-N 476.621 5.386 30 20 JKED Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCCSCc1ccccc1C#N 728169967 DJOCIPNHJARYPL-UHFFFAOYSA-N 453.951 5.029 30 20 JKED COc1cc(/C=C2\CCc3nc(-c4ccc(Br)cc4)sc3C2=O)ccc1OCC#N 728438430 FJSANFZRUWYZDB-FOWTUZBSSA-N 481.371 5.696 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)cc1 728767092 UYIPVMKLAUHZNY-NRFANRHFSA-N 463.465 5.626 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCCCC#N)C1=O 728776469 CAEZIFPZSHTJFT-FQEVSTJZSA-N 489.428 5.956 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728777606 LNDACOXWNVUMHK-HXUWFJFHSA-N 472.973 5.442 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)c1 728778008 NYSQYFLRZLCBBH-RUZDIDTESA-N 480.593 5.475 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)c1 728780697 XCLLQADIDPFQGS-JOCHJYFZSA-N 493.589 5.120 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C1CCC1 730461161 LSIAXNYOTHIJOB-HXUWFJFHSA-N 457.983 5.170 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1 730711009 WXBRDHGHSGUZPX-SFHVURJKSA-N 493.347 5.281 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)sc2nc(C(F)(F)F)ccc12 731071076 ORWPRZPLQUCLHF-GFCCVEGCSA-N 493.532 5.671 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1Cl 731309255 QYXVBSKSICIIJN-JOCHJYFZSA-N 495.988 5.215 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 731411313 WFHCGTQOOUKAOB-KXBFYZLASA-N 461.543 5.056 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)c1 743523773 CXYCZJMSKLWITM-QFIPXVFZSA-N 496.995 5.651 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)cc2F)C1=O)Nc1ccccc1F 745584131 MPGWVADZLPAAQD-NRFANRHFSA-N 487.478 5.404 30 20 JKED C=CCc1cc([C@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)Nc2ccccc2)cc(OC)c1O 747138490 DVYURXZZJSZLEX-XMMPIXPASA-N 489.597 5.370 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCc3nccs3)C2=O)cc1 747601802 HLJVXOJSBNUTCT-QFIPXVFZSA-N 490.654 5.143 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cscn1 747603756 UXVKQFURWCNSDM-NRFANRHFSA-N 499.061 5.828 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cnc(-c3ccccc3Cl)s2)n(Cc2ccco2)c1C 747952345 MNBUEQWBRPPSGD-UHFFFAOYSA-N 494.960 5.190 30 20 JKED CCCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccccc1Cl 749049438 RSOUKLTWRDGJRV-CYBMUJFWSA-N 476.751 5.141 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC(OC3CCCC3)CC2)c1=S 749668099 DGPXESIIWVUVAF-UHFFFAOYSA-N 463.047 5.214 30 20 JKED CC[C@@H](C)n1c(SCC(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 750254330 AMKWNTUJWGVXGJ-CVEARBPZSA-N 498.008 5.104 30 20 JKED CCOC(=O)/C=C/c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 759305717 IAEGVYPPURGHTR-NTCAYCPXSA-N 485.565 5.118 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 837531234 DULDEWLXOQKLRV-IERDGZPVSA-N 498.530 5.822 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccc2OC(F)F)C1=O)NC1CC1 914537780 FBFREYNENCLYEK-JOCHJYFZSA-N 495.551 5.242 30 20 JKED Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 915353745 QKEISSBCXZJYCV-LJAQVGFWSA-N 481.644 5.374 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)c(NC(C)=O)c2)c1 916086436 WSFFFAKYKBTKKD-UHFFFAOYSA-N 498.004 5.240 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CC2)C1=O 916205881 UCJQSMOFMMZBBF-HXUWFJFHSA-N 475.973 5.391 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccco2)C1=O 916209891 UNZRFPOBADAZOQ-HXUWFJFHSA-N 471.941 5.541 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cs2)cc1 916285888 NOLAGPLQSPHJOB-UHFFFAOYSA-N 479.440 5.209 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 916930574 JGDXKXBGSHRIEB-YKSBVNFPSA-N 464.974 5.519 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916954170 XFOCINWHMGMLCU-OIYOBHNRSA-N 456.342 5.094 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996119 KHHNDPZBDJKNHA-QGZVFWFLSA-N 488.396 6.798 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(Br)s2)cs1 917558470 SSSRYKYPJOWUEV-DAXSKMNVSA-N 451.342 5.687 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)N[C@H](C)c1ccccc1 917609963 MOEDVWCNFZMTDS-HXUWFJFHSA-O 488.677 5.895 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1C#N 917702932 WXRCMKHPJXNQFH-GOSISDBHSA-N 472.542 5.019 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(C)cc2C)C1=O 917703837 RGYYRDGBWDUXPG-VWLOTQADSA-N 498.608 5.344 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2OC)ccc1Cl 917776601 AAWOSIFYXBIEDK-UHFFFAOYSA-N 470.978 5.007 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC)C(C)C)ccc1Cl 917826102 TUAYEAVRKNTZRO-UHFFFAOYSA-N 455.407 5.245 30 20 JKED CCCCCCC[C@H](C)CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 917871950 AWPQTKZUESRYLX-SFHVURJKSA-N 451.449 5.414 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 919773988 CLQVDEBADCFSRR-UHFFFAOYSA-N 468.557 5.170 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)cc1 919911418 KJVINEANBXXIOL-QFIPXVFZSA-N 453.970 5.230 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1OC 920751057 PMRCSBWNDJBARO-UZMNLOIXSA-N 453.542 5.066 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3ccccc3n2)c1 920767038 HQQFBTFGLURQEI-UHFFFAOYSA-N 477.973 5.522 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 920998476 XRPYCRQTTPCMAU-UHFFFAOYSA-N 494.642 5.498 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c3c(C)noc3n2)c(C)o1 928672829 UWOOISSOYBDJCR-QGZVFWFLSA-N 490.491 5.039 30 20 JKED N#C[C@@H](C(=O)CSc1ccc(Br)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 1341867474 FVHNANUDJCAEFS-AWEZNQCLSA-N 474.405 5.007 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OC(C)(C)C4)CCC2)cc1 1786366678 SZGOPTGCBDBISS-UHFFFAOYSA-N 462.590 5.131 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(Cl)c(Cl)c3)CCC2)cc1 1787890346 CBRZUWIBNHEAPS-UHFFFAOYSA-N 450.753 5.698 30 20 JKED CC[C@@H](C)[C@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)NCCC#N)cc2)CCC1)c1ccccc1 1788029433 VDCQBJIOVCBJFX-BWKNWUBXSA-N 474.649 5.232 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788803702 LNKHDIHHIWJAFV-NDZAJKAJSA-N 478.552 5.208 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(F)cn34)CCC2)cc1 1789509880 QVKNEBSHGAZXKA-UHFFFAOYSA-N 490.655 5.272 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1789515290 BMCOLRIXHAOBMO-VUTHCHCSSA-N 499.640 5.373 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccc(F)cc4)CCC3)cc2)c(C#N)c1 1790472153 RCVFXIXAPCWVOG-SXOMAYOGSA-N 497.570 5.186 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1790568246 VFSOYQZLOBBASQ-MRXNPFEDSA-N 466.969 5.370 30 20 JKED Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)ccc2[nH]1 1790989719 WXLRYOGZWPLOBH-UHFFFAOYSA-N 478.552 5.175 30 20 JKED C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1)Oc1ccccc1 1791145891 OGIBCNULZZRAPB-FQEVSTJZSA-N 485.559 5.232 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3occc3NC(=O)OC(C)(C)C)CCC2)cc1)C(F)(F)F 1791302377 AKLBJCSMUJZHLE-UHFFFAOYSA-N 493.482 5.493 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1)c1ccc(O)cc1 1791646579 AFAQLYRJUALPFD-LJQANCHMSA-N 466.528 5.069 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CC[C@H]4CCOC4)cc3)CCC2)cc(C(F)(F)F)c1 1792025442 AKORZVLLPLPTJC-KRWDZBQOSA-N 485.506 5.141 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](C)CC=C)CCC2)cc1)NC(=O)OC(C)(C)C 1792205149 PJMYKVJKDMLKBB-KNQAVFIVSA-N 469.626 5.192 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3occc3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792205359 XEVNAZAAUZCSKD-NRFANRHFSA-N 481.593 5.195 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3C3CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205777 WBGFMRGZMVURQV-ZRBLBEILSA-N 481.637 5.026 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)CCC2)cc1 1792268690 YZVZMQNWLOVBBO-UHFFFAOYSA-N 465.553 5.100 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C#N)c1Cl)C2)c1ccccc1 1795575534 OBGJHMAYTAUEQS-JZWLZXDTSA-N 464.009 5.293 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Br)cc2s1 1798085879 VRABPQJGQQJNQQ-NKGKWGDASA-N 461.425 5.128 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1798335812 TWUXAALIXFTDPO-AIDNLNPPSA-N 480.052 5.648 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/Sc1ccc(C)cc1)c1ccc(O)cc1 1798391233 YLWCHESNHIBGIZ-KVEDXCIUSA-N 488.653 5.142 30 20 JKED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4cccc(Cl)c4)CCCC2)C3)ccc1F 1800136596 HZZJGBMZMFSLGM-BKFWDETESA-N 494.010 5.043 30 20 JKED CC1(C)CCC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1800741067 XLKJTXKYIMEMDG-KOUNCHBCSA-N 475.555 5.435 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1802501409 XIJYHIDDPAGINU-IGKIAQTJSA-N 488.676 5.384 30 20 JKED C[C@H](Sc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1803424636 XCRRXWYHPMLKNR-WTWFXHECSA-N 498.652 5.209 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1807727490 AXMINFWEGFJCFJ-NTKDMRAZSA-N 495.048 5.433 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1810171881 HWWGFXNQEDRVLW-RQTOMXEWSA-N 474.630 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810175903 PKRKXVXKKHLBBY-CLLDRWBHSA-N 466.025 5.313 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3cnccc23)[C@@H]1c1cccnc1 1810274090 ZUDQBVGXQTWDGR-UFHPHHKVSA-N 498.703 5.001 30 20 JKED Cc1cc(F)c(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1F 1810276059 CCJROPBOKSBCCQ-QFQXNSOFSA-N 497.662 5.039 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1Cl 1811418248 SOCUEMVQPJIEHG-YKSBVNFPSA-N 493.394 5.202 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c1Cl 1811709483 DHCNURNQJMVTDB-GAJHUEQPSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)[C@H]1c1cccnc1 1812591035 YFYQPAKSUXVPIK-HXJFHLOQSA-N 485.628 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1812958725 AGSSVQZUDHOLPC-FXVJXKIMSA-N 477.624 5.435 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccnc(C(C)(C)C)c3)[C@H]2c2cccnc2)c1 1813864804 DVTYAKPDFDJUDI-RAHIQWLESA-N 495.627 5.035 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(NC(C)=O)ccc2Cl)[C@@H]1c1cccnc1 1813997376 UVPYFDPYRQQCPA-RDPSFJRHSA-N 497.039 5.005 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@]2(F)CCCC=C2F)[C@H]1c1cccnc1)c1ccccc1 1814284077 GOAMOOKUBPZHJT-AHSXFXRJSA-N 491.582 5.030 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)cc1 1814379259 LUNZJXVXCLIBHZ-NRFANRHFSA-N 479.943 5.013 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)[nH]n1 1814443289 RFULKIWAYYNYCD-GOSISDBHSA-N 463.504 5.122 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)[nH]n1 1814828154 AYUMOZGBZPYDOO-DEOSSOPVSA-N 480.584 5.412 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)CCCC3=O)n[nH]1 1818689331 CKGAUIQJVXQPBL-HSZRJFAPSA-N 460.578 5.003 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1)c1ccc(O)cc1 1818809898 JMCFFCLHBIFMHR-TZBSWOFLSA-N 474.605 5.051 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3c2)n[nH]1 1819130065 TYYFSDUBZKKAMB-JOCHJYFZSA-N 493.405 5.435 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)[nH]n1)c1ccccc1 1819518466 RDZRSWSIDPPQMW-URXFXBBRSA-N 495.583 5.362 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820202210 DJUVUIUDHAUKDV-HSZRJFAPSA-N 493.659 5.387 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)c[nH]2)n[nH]1)c1ccc(Cl)cc1 1820310168 ROTGFHWYYLGKQP-JTHBVZDNSA-N 478.984 5.009 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)c2coc(Cl)n2)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821150818 ODLBOYRNKVGEFY-HSZRJFAPSA-N 499.958 5.071 30 20 JKED C#CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821175628 MCTHSOKFBJGXQL-GOSISDBHSA-N 486.597 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)cc(C(F)(F)F)c2)n[nH]1 1821360311 JPXUAJFCQLHSAV-OAQYLSRUSA-N 490.526 5.511 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CCc4ccccc43)n[nH]2)c1 1822525428 FULYROPDUAKVIL-FMNCTDSISA-N 467.573 5.073 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3occc3Br)[nH]n2)c1 1823213457 XSRGVCILTMJGTH-LIRRHRJNSA-N 496.365 5.012 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)COc3ccccc3C#N)n[nH]2)s1 1823386724 WZTLWKHVWSQMIX-IBGZPJMESA-N 491.617 5.025 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c(F)c1F 1823686371 ZFUOSOJWRYXGPT-DEOSSOPVSA-N 479.571 5.011 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CC2)C1 1823702159 HWVSPUITRDNHCA-MHZLTWQESA-N 482.628 5.429 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1823928608 TYJAPUJGYJKGDJ-IFMALSPDSA-N 489.056 5.359 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(Cl)cc1 1823978047 SWHDPQLLORPWJC-RXFWQSSRSA-N 478.036 5.443 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1824053081 COYPWUAWQRUMSV-HSZRJFAPSA-N 499.442 5.126 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1824539515 CPCRXQGHYVQPFO-BKMJKUGQSA-N 493.673 5.616 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)CC1 1824779166 JEEGCSWVEDDNFW-XNMGPUDCSA-N 459.634 5.165 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1824960916 AKYTZZRCFMBVOA-QFIPXVFZSA-N 479.086 5.280 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(C)c(C)c2)CC1)c1ccccc1 1825392966 ZVWHXIBKACEZDT-IZLXSDGUSA-N 471.645 5.129 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1826371758 UXQGFJISTMQLCG-MHZLTWQESA-N 496.768 5.299 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681653 NZNJHBOBTJZOER-DGSRBQDKSA-N 485.049 5.382 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1)c1ccccc1 1827986965 PWVGWRPECAMTGH-XZOQPEGZSA-N 467.009 5.364 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)CC2)C1 1828319512 GEBNGMWRXYODNI-NRFANRHFSA-N 457.039 5.754 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1828399875 CAEYQNQXOHXTNR-GVAUOCQISA-N 455.042 5.257 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)c1 1828607051 YACXPYGUBMCOBX-HSZRJFAPSA-N 475.589 5.459 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1828823338 RLOYBQLBYYNVQH-PZJWPPBQSA-N 466.544 5.609 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828996745 SILDAWONBHWIFF-FCFFNXBQSA-N 498.627 5.002 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(F)(F)F)CC1)c1ccccc1 1829033276 TZSPPMYNJXRPCO-PKTZIBPZSA-N 462.556 5.146 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1F 1829689664 LONVLTBUDBHRHN-HSZRJFAPSA-N 467.972 5.206 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1F 1829966892 FIRPJRDALRODLM-DEOSSOPVSA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1 1830011734 DXGLUJBOBNOYOB-HHHXNRCGSA-N 481.596 5.024 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)CC2)c(Cl)c1 1830191337 VOYACAANNKHWGB-SANMLTNESA-N 489.019 5.169 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830494411 XQYANJRROYTSDF-SXOMAYOGSA-N 490.644 5.285 30 20 JKED Cc1snc2sc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)cc12 1830715573 FXFGZTJVVKNSKZ-OAQYLSRUSA-N 496.633 5.224 30 20 JKED COc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830721553 PNJXOJCIPGVUMJ-SANMLTNESA-N 494.035 5.086 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1)C(F)(F)F 1831451597 XWRNABIFVICFNN-HSZRJFAPSA-N 485.550 5.409 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1 1831790393 IWCDDCYDNIGZGA-XZOQPEGZSA-N 489.701 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)c1 1831790611 JUKSYGOPRBEVFX-IRCKYJPBSA-N 469.629 5.351 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc(C)c1O 1832635421 DNBPHQKNOSFZGS-LVXARBLLSA-N 473.617 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1832679516 WFMGEWUPNSGQJP-XMMPIXPASA-N 462.638 5.302 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1 1832703026 ACWYFQIHGPDYKU-AREMUKBSSA-N 473.617 5.201 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCCc3ccccc3)CC2)CC1 1838791187 ICIGDYJMFGEESA-UHFFFAOYSA-N 482.709 5.925 30 20 JKED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)sc2Cl)C3)cc(C(F)(F)F)c1 1845513679 MRRJBTFZSSNCQC-UHFFFAOYSA-N 488.318 5.076 30 20 JKED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1)c1ccc(O)cc1 1845736831 OAXDSJMSAWASOB-JOCHJYFZSA-N 492.575 5.306 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)nnc1-c1ccoc1C 10101133 KXHLJPSHBVVXSH-UHFFFAOYSA-N 472.574 5.043 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cccc3ccccc23)cc1 11125252 WIZSXQLMHPFZIT-UHFFFAOYSA-O 480.440 7.047 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1)c1ccc2c(c1)CCC2 11129004 FTVWPAHXBWECPR-UHFFFAOYSA-O 457.497 5.238 30 20 JKED Cc1oc(NC(=O)COC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)c(C#N)c1C 11431504 SOJIUPWLFQHRHL-RGVLZGJSSA-N 452.869 5.283 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cccs2)n1CCc1ccccc1 12744293 YDYGDWSLDLHGTO-UHFFFAOYSA-N 494.045 5.429 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccc(Cl)cc1Cl 15029833 UCBPDBPQSKUNOZ-UHFFFAOYSA-N 458.374 5.235 30 20 JKED C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16820714 MULXHOBBRULGHG-LBPRGKRZSA-N 490.557 5.659 30 20 JKED C[C@@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16833260 FOVJLQUWMSTRAT-CQSZACIVSA-N 472.657 5.551 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccc(F)cc1 18773093 DHFHOBZBSDHMRX-UHFFFAOYSA-N 452.555 5.230 30 20 JKED C=CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 21838291 ARNDYWQFFZHRCQ-UHFFFAOYSA-N 497.425 5.118 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nnc1-c1ccc(Br)cc1 21927653 QJHOPRPXHIAUNJ-AWEZNQCLSA-N 473.396 5.022 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)N(CC#N)c1ccccc1 23104987 WBPBEMXGMMMKCA-UHFFFAOYSA-N 479.536 5.345 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccoc1C 23222811 SEKWADMRWCDNSQ-UHFFFAOYSA-N 473.530 5.165 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCc3sccc3C2)nc2scc(-c3ccccc3)c2c1=O 23404439 SCPWZOVRWOJNTG-MRXNPFEDSA-N 493.679 5.438 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccc(C)c3)n2Cc2ccco2)cc1 26489757 QYTFFEPTIWJAIJ-NRFANRHFSA-N 485.613 5.631 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C 36775524 MQDORJPPQPGSNV-QRVIBDJDSA-N 477.586 5.016 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 72011940 VAYIXLCNWDVJSA-UHFFFAOYSA-N 484.669 5.037 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2cccs2)cc1 72089895 PHSLQQKPIJIXLC-XDHUDOTRSA-N 455.587 5.421 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 105118308 SJESTPMLEYKPPI-UHFFFAOYSA-N 462.933 5.221 30 20 JKED C[C@H](COc1cccc(F)c1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 117703585 FOARESOHSDNDHT-GFCCVEGCSA-N 475.364 5.246 30 20 JKED N#Cc1ccc(SCC(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1 482079761 TWBYJQINCMOVOM-UHFFFAOYSA-N 456.449 5.299 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cs2)cc1 487358103 UJIFAUHYHJHTFN-UHFFFAOYSA-N 460.584 5.131 30 20 JKED CC(=O)N[C@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(Cl)cc1 487998457 XCSQTYANNNWCIS-RUZDIDTESA-N 463.940 5.147 30 20 JKED COc1ccc(CN2CCCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 496518896 GTIHXDKAKLCWPG-UHFFFAOYSA-N 457.599 5.066 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cn2)n1 500678673 LUVKLOKIKDGAHS-QHCPKHFHSA-N 470.964 5.515 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501685182 CHMQWBGWJAUDBB-UHFFFAOYSA-N 488.591 5.502 30 20 JKED Cc1cc([C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)nc(C)n1 502674987 GOOKDZAMJSENKJ-HSZRJFAPSA-N 458.525 5.044 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cn3cc(Cl)ccc3n2)cc1Cl 510023962 OWUNMYAUNAGPLL-FQEVSTJZSA-N 450.329 5.618 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 510221403 HSABWZYHJIKDEK-UHFFFAOYSA-N 465.351 5.036 30 20 JKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511316877 WAJIKNDWMPWFOI-FQEVSTJZSA-N 470.573 5.182 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 511338272 QQYYIGRROIASNJ-HHHXNRCGSA-N 471.557 5.622 30 20 JKED CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511435133 AMNQLADFOUELMA-UHFFFAOYSA-N 471.561 5.183 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1 517404005 ITPLRKJALQVLAT-FGZHOGPDSA-N 463.400 5.899 30 20 JKED CSc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1NC(C)=O 517461239 GLWYFCZXYIPJPT-UHFFFAOYSA-N 453.511 5.644 30 20 JKED CC(=O)Nc1cccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518148013 MRUBDWOHMJHTPY-ZDUSSCGKSA-N 450.486 5.109 30 20 JKED Cc1cc(COc2ccc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc2Br)no1 518207274 DMNYENCPBCELDQ-NRFANRHFSA-N 482.378 5.617 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 518738910 DSHZEWNETVTPAS-QGZVFWFLSA-N 497.667 5.142 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 519434055 LYVAIALEFUEJIN-UHFFFAOYSA-N 471.460 6.007 30 20 JKED Cc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)CN1CCCCC1 520851425 SSYQYQBLTKVNDK-LJQANCHMSA-N 493.677 5.061 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 521293363 NUNPJWGSURGJMP-FQEVSTJZSA-N 483.996 6.394 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 552167451 YSQUKRVKPAGGBN-SANMLTNESA-N 455.558 5.132 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)c1 552461117 GOALIJMYJKCMDF-NRFANRHFSA-N 454.530 5.542 30 20 JKED CCOC(=O)c1sc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)c(C#N)c1C 603948100 YRKSETDENKMJMW-UHFFFAOYSA-N 471.535 5.119 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3sc(-c4ccccc4)cc3C#N)nc(O)c2c1C 603969167 JHJRKISGLWWFJO-CQSZACIVSA-N 480.640 5.874 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604365125 WAQWAGFJOBWNDN-HZPDHXFCSA-N 471.401 6.254 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1 604450830 IURFONVDAUUOAQ-UHFFFAOYSA-N 496.567 5.421 30 20 JKED C=CCN(C(=O)c1csc(-c2ccccc2OC)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604503062 SWINHNSFNSVNQH-UHFFFAOYSA-N 478.555 5.683 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1C 608962233 BOXNVOBILYEYJW-QHCPKHFHSA-N 466.944 5.087 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccccc3Nc3cccc(C(F)(F)F)c3)CC2)nc1 608969482 AVGDIZXFBUGVMQ-UHFFFAOYSA-N 465.479 5.114 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 608995196 BPKZEHMQPHWZEY-UHFFFAOYSA-N 481.600 5.186 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(OCC(F)(F)F)nc1 609079102 ISEFGQFDYXXNLJ-UHFFFAOYSA-N 470.451 5.104 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 609079567 GJIYSFYMQDRIEQ-UHFFFAOYSA-N 482.515 6.094 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 609153385 CRGMGIOHFYGMEC-UHFFFAOYSA-N 452.514 5.671 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 609208172 FJDRPGBTCQCWRJ-UHFFFAOYSA-N 469.497 5.892 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)N4CCc5ccccc54)CC3)c2)cc1 609208759 DIWKOGZOABXEPT-UHFFFAOYSA-N 466.541 5.184 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 609371068 XIJBZVWNLKQSBR-OAHLLOKOSA-N 495.029 5.669 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccccc2)cc1 609435686 GDTWHZYTKIHTRK-HHHXNRCGSA-N 477.520 5.203 30 20 JKED COc1cc(CN(C)S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OC(F)F 612020508 RVYDXVRVVFNMOM-UHFFFAOYSA-N 493.372 5.155 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347007 VBHQGTSZZZMMMA-INIZCTEOSA-N 481.364 5.263 30 20 JKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613403840 GPRICZRUBKXYTE-GOSISDBHSA-N 468.431 6.175 30 20 JKED Cc1nc(-c2ncccn2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 614386688 QRXKYPRTUXAYHN-ZDUSSCGKSA-N 472.382 5.829 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(OCc3ccccc3)CC2)c1 619450237 YZPZSZUYMMZXRD-UHFFFAOYSA-N 485.609 5.110 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2cccnc2)nnc1-c1ccc(Cl)cc1Cl 680013108 DBCGSJJYXLYXMM-IBGZPJMESA-N 474.417 5.289 30 20 JKED COc1ccc(C(C)=NNc2nc3ccccc3c(=O)n2CCCOC(C)C)c2ccccc12 725843799 WYZKRYQVZDIQJY-UHFFFAOYSA-N 458.562 5.210 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726404192 SWGPYWCNBGUMHY-GOSISDBHSA-N 491.787 5.112 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(C)C)C2=O)cc1 726410111 XSVXGEJVJDCMQV-NRFANRHFSA-N 482.993 5.031 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CC(F)(F)F)c1cccs1 726414261 AJNACNKFQJHNFG-LUIHSDOESA-N 493.935 5.493 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1cccnc1)c1cccs1 726421414 QJGOJBHKRNIQFB-CXYDIROXSA-N 482.606 5.433 30 20 JKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 726981464 USLZABMAAXCDCE-CQSZACIVSA-N 482.487 5.078 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 727591363 XEVHDNQXZNLWCZ-AOKXBXCXSA-N 482.650 5.081 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1 729146521 SFDUSVIOTSNERG-IBGZPJMESA-N 486.569 5.199 30 20 JKED Cc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)sc2c1 729729193 KSSFKKCTRUIMBO-UHFFFAOYSA-N 481.961 5.590 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CCC2)c1 730458549 AKRIAAVYSDATFX-QHCPKHFHSA-N 459.571 5.361 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CCC2)C1=O)Nc1ccccc1Br 730461018 JZNSPGLIANCPDO-GOSISDBHSA-N 492.826 5.615 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)c1 730461709 GVBAJSWKSCYHDR-OAQYLSRUSA-N 451.979 5.143 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2C2CCC2)cn1 730461766 HNDJYUFJLORYFI-QHCPKHFHSA-N 489.601 5.208 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730583834 MEJZQRNKBPETQC-UHFFFAOYSA-N 473.389 5.137 30 20 JKED N#C[C@H](C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 731136370 PVPXJDZIQAFUGX-GOSISDBHSA-N 489.416 5.003 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2Cl)c1 731308843 QSUAXYHTZISHPH-QFIPXVFZSA-N 495.988 5.215 30 20 JKED COC(=O)c1ccc2c(O)nc(/C(Cl)=C\c3cccc(OCc4ccccc4C#N)c3)nc2c1 731319315 OKMFSHWEMSVQAK-WSDLNYQXSA-N 471.900 5.310 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743449605 SOPRCAHEPYIQLG-KRWDZBQOSA-N 472.397 6.203 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2OC(F)F)cs1)c1ccc(F)cc1F 745998312 JDJJHDRPJCKXQN-VQHVLOKHSA-N 450.413 5.603 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 746696520 ONCZCYNSXDSXAA-OAQYLSRUSA-N 492.016 5.565 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cscn3)C2=O)cc1 747599147 GNDJQWVADOPWQK-NRFANRHFSA-N 498.605 5.232 30 20 JKED Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)sc2n1 749148275 WBJKRLKQIOUWCC-UHFFFAOYSA-N 483.597 5.066 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccccc1 750399276 ZZNKGTGVTONLHN-RHSMWYFYSA-N 482.034 6.148 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(O)cc2)nc2sc(-c3ccccc3)c(C)c2c1=O 760432614 MHKDXUVBWCCOHJ-UHFFFAOYSA-N 463.584 5.056 30 20 JKED CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(Cl)cc1Cl 824147727 OCYZEQDDZKWDPB-LLVKDONJSA-N 474.797 5.238 30 20 JKED CC(=NOCc1nnc(-c2ccc(Br)s2)o1)c1nc2ccccc2n1C(F)F 836979447 ZFJQTWKJJLGMQA-UHFFFAOYSA-N 468.283 5.246 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N([C@H](C)c3cccnc3)C2=O)c1 837403742 BAPSDONSMUPMKP-NTKDMRAZSA-N 488.613 5.429 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccs3)C2=O)cc1 837519506 XGUPEDJNIXEUPN-NRFANRHFSA-N 463.584 5.111 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 837668960 YKBXKTDJPITXEE-BWKNWUBXSA-N 486.641 6.037 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 837780378 NRSNBYFLKZKCFU-CJAUYULYSA-N 498.583 6.095 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1F 838235639 KREGIDJONWJRAJ-OPAMFIHVSA-N 480.540 5.390 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1cccs1 838483581 UJQKSXWFAIQBKI-NRFANRHFSA-N 465.600 5.226 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccc(F)cc2)C1=O 838534417 SGXKZYJEJUMXRP-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)c1 856140614 AENTWHKNUDGRIF-NRFANRHFSA-N 497.624 5.133 30 20 JKED Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(C)o2)CC3(C)C)n1 905901876 YGZUFWOJQOWSCI-LUAWRHEFSA-N 487.581 5.798 30 20 JKED CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)[C@H](C)c1ccc(C#N)cc1 914509669 WKOGCFOURCZYKC-GOSISDBHSA-N 494.016 5.186 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)cc1OC 914559928 YKRBPUBSRVZECS-UHFFFAOYSA-N 482.997 5.096 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N([C@@H](C)Cc2ccco2)C1=O 914694447 KEPWLRMKZOQJKZ-FDDCHVKYSA-N 477.586 5.188 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 914694755 UHVOMQONFDFQAY-LHSJRXKWSA-N 487.503 5.288 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)n2)cc1 915100549 USBVIARFKYYYLN-SFHVURJKSA-N 474.611 5.035 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(Cc3ccccc3)n2)n(C2CCCCC2)c1C 915452389 ZPWCMMFENWKAMH-UHFFFAOYSA-N 490.629 5.254 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/COc3ccccc3C2=O)cc1OC 916138834 HYXXXLRXIRHATL-BOPFTXTBSA-N 479.916 5.033 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccccc2)C1=O)Nc1ccccc1F 916212837 ZQCQXRBDVUFJBC-OAQYLSRUSA-N 499.514 5.588 30 20 JKED Cc1ccc(C(C)C)c(Oc2ccc(C=Nn3c(S)nnc3[C@@H]3CCCO3)cc2[N+](=O)[O-])c1 916367829 QHZYYTMBUSZHOZ-FQEVSTJZSA-N 467.551 5.433 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1ccc(Cl)cc1 916884310 AKWLKOPLQZQFJC-QGZVFWFLSA-N 478.986 5.451 30 20 JKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906659 UNZSIGLJPBAAIG-JXFKEZNVSA-N 461.499 5.215 30 20 JKED N#C[C@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)C(=O)Nc1cccc2ccccc12 916916210 PYSXBSFNALMALO-HSZRJFAPSA-N 474.520 5.116 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1 916932211 SFRKSRLKTUWWJO-HNNXBMFYSA-N 459.285 5.135 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 916953884 WNMKWUHFLOKKAG-HXUWFJFHSA-N 461.499 5.024 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)OCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977024 ZZGMRPBQUCMMFS-IBGZPJMESA-N 453.951 5.346 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 916977576 UZBKVWZTBUSNRH-INIZCTEOSA-N 487.393 6.135 30 20 JKED COC(=O)c1c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)[nH]c(C(C)=O)c1C 916995186 BZZWHBONYBWHEW-AWEZNQCLSA-N 490.368 5.162 30 20 JKED N#C[C@H](C(=O)Cc1cc2ccccc2nc1O)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997475 YNPFQDIJEPSQKT-MRXNPFEDSA-N 454.338 5.790 30 20 JKED C=C(Cl)COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917560681 VSNCPUWZSMTYNU-GHXNOFRVSA-N 473.381 6.509 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)cc1 917612663 BSEBKTBLWUMFJY-UHFFFAOYSA-O 462.598 6.068 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCNC(=O)OCc1ccccc1 917653382 JYLICSGNSVRVQS-UHFFFAOYSA-N 459.521 5.246 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)c1 917664277 MKBWEVUCYWJHRR-HSZRJFAPSA-N 477.561 5.133 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccc2)C1=O 917702663 HTYPDPUATUQCCH-QHCPKHFHSA-N 489.000 5.681 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)c2nc(C3CC3)no2)nnc1-c1ccc(Cl)cc1Cl 918799116 MERFXUMPYTUSOQ-LLVKDONJSA-N 480.377 5.095 30 20 JKED C[C@H](OC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919386475 OFXIHUSFZNNMBB-INIZCTEOSA-N 461.543 5.260 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)[C@H](C)c1ccc(C#N)cc1 919863293 XKXMXYZRKRBPSV-ZGAGMJPPSA-N 459.571 5.194 30 20 JKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 920107768 GGPJLUGOLKQKQI-LJQANCHMSA-N 481.383 5.087 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2C)cc1Cl 920141347 NTOTVMNWBMLVCU-JOCHJYFZSA-N 486.000 5.865 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c(C)nc4c5ccccc5nn4c3C)n2)cc1 920142566 LGABDEGTAOROSW-QFIPXVFZSA-N 481.581 5.441 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cs1 920374206 ZRQZOBJNIVRJIQ-MRXNPFEDSA-N 474.552 6.655 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1C 920852070 QTJMJMJCCLREPO-BGYRXZFFSA-N 475.568 5.086 30 20 JKED C[C@@H](OC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C(=O)N(CCC#N)c1ccccc1 920911115 AVHUMYCCTGVZGK-MRXNPFEDSA-N 484.339 5.673 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 921249059 FDXZEFZNHXTFOP-UHFFFAOYSA-N 466.173 5.769 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5ccc(Br)cc45)CCC3)cc2)C1 1785807698 MMMNYXMSPNPEEN-UHFFFAOYSA-N 478.390 5.644 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)CCC2)cc1 1786102784 AFZMZULCVQCYTD-LJQANCHMSA-N 469.626 5.144 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c4CC[C@H]5C)cc3)CCC2)c1 1789010181 FPSRARTTWZXBEG-MSOLQXFVSA-N 467.573 5.148 30 20 JKED CC(C)O[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1789597088 PCQCXCGZACDLBX-MRXNPFEDSA-N 473.495 5.138 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cnn(C)c3Cl)cc2)CCC1)c1ccccc1 1789939033 QLTFLZPLGTWHRU-QFIPXVFZSA-N 474.992 5.018 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)sc1C 1790082752 MIQIBCWASJIXFN-UHFFFAOYSA-N 464.978 5.347 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4nc(C(C)C)cs4)CCC3)cc2)c(C#N)c1 1790472637 SYEALUJPSKDLJJ-UHFFFAOYSA-N 488.613 5.137 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CSc3c(C)cccc3C)CCC2)cc1 1790567781 PPQWXSMYFAYWPN-HXUWFJFHSA-N 467.635 5.331 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)c(Cl)c1 1790710819 SGPPCFPYOZBHHQ-UHFFFAOYSA-N 496.954 5.928 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4CCCCO4)CCC3)cc2)ccc1Br 1790744529 KNSBEPBSRGUBAT-OAQYLSRUSA-N 496.405 5.028 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cc1 1790767282 UHFFZONSWFSYAO-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)CCC2)cc1 1791253804 HQKZWCOUFNPNEA-FUKQBSRTSA-N 481.637 5.121 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cscc3C)CCC2)cc1 1792337480 SJGASBJZRUIFQR-DNOBIOAJSA-N 495.645 5.274 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1ccc(Cl)cc1 1794105047 IOPJDWYNHUWDFB-NUNAXRQHSA-N 489.132 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCC1)C2 1798593329 DLGSTYRBVFYQIX-KAOXLYBCSA-N 489.701 5.091 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)nc1)c1ccccc1 1799049526 NRAYKTCCRHBGMH-JUDWXZBOSA-N 477.608 5.198 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccccc4)nc4ccccc24)C3)c1 1799601845 OMSHEXOTDXCIKM-QEIWAGNOSA-N 486.575 5.339 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccccc4)CCCC2)C3)cc(C(F)(F)F)c1 1800739750 BNCNCFGLFOYDSC-BKFWDETESA-N 495.545 5.341 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)[C@H]2c2cccnc2)C1 1802405228 HTLNYCKYKQBLDE-BWKNWUBXSA-N 485.550 5.095 30 20 JKED N#Cc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)c1 1802957653 CUYUBEVTYPCUBZ-VVCPMHSZSA-N 498.671 5.198 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803999364 DKPNMJCPDNXHFG-WGGKQFCHSA-N 497.561 5.588 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)CCc4ccccc4Cl)CC3)C2)c1 1805323015 JBQODSHWHWFIBJ-UHFFFAOYSA-N 478.036 5.008 30 20 JKED O=C(CC1CCCC1)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1806195511 ABBUCUYBGNUSEK-VEEOACQBSA-N 491.635 5.381 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3cccnc23)[C@@H]1c1cccnc1 1809026188 IZABLDPDEPUQPH-YWEHKCAJSA-N 498.703 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1810183457 VQIZUAFLVRGVPX-REUBFRLUSA-N 491.701 5.488 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1810498705 PEDDWTAJGQVYCS-LADGPHEKSA-N 488.657 5.517 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)[C@H]1c1cccnc1 1810504003 VATIAPVXXUZNRK-XGMBZNLNSA-N 475.633 5.192 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc(F)cc2)[C@@H]1c1cccnc1 1811550503 HAUMRKJGJDDDCE-LOLUNWTRSA-N 498.602 5.371 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)[C@@H]1c1cccnc1 1812588143 BJIGAHPSVWUBFN-WVMBUTMQSA-N 496.533 5.180 30 20 JKED CC(C)/C=C/C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1813696791 ZSYILNXFERJOGY-ZFHWXBASSA-N 477.608 5.013 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccccc3C3CC3)[C@H]2c2cccnc2)c(Cl)c1 1813757784 YYLHMXLFGLMCRH-QFQXNSOFSA-N 484.987 5.117 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)ccc2n1 1814379584 GVFFQXBZZOPKJB-SANMLTNESA-N 492.583 5.077 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)cc1 1814380892 BJXYUBXUWIIMGY-OAQYLSRUSA-N 497.933 5.152 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)[nH]n1 1814441836 GSKFCQVVVLPBIO-RDPSFJRHSA-N 477.653 5.459 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCC(c4ccc(Cl)cc4)CC3)n[nH]2)CC1 1814935725 PBKPWTGYBIDVRK-FQVRHNBASA-N 480.012 5.333 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ncccc34)n[nH]2)c1Cl 1818473262 VKKFMWSNAPNXSG-QFIPXVFZSA-N 484.947 5.103 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cnccc34)n[nH]2)c(Cl)c1 1819129407 UMOODHDYAQRZPA-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1819492682 KZMPUQUCOBGWEB-DAXPHYLKSA-N 477.952 5.246 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)ncc2F)[nH]n1 1819554138 HLDXVEKRQSPYOC-KRWDZBQOSA-N 492.393 5.005 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821202012 MNGHEAVIKVQSGQ-QAPCUYQASA-N 473.401 5.116 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1 1821277186 LXTZTONYUZXOGL-QHCPKHFHSA-N 491.979 5.343 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)n[nH]1 1821480895 XQHALVWVHDERQX-KRWDZBQOSA-N 490.789 5.189 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1821924627 FHTKQWLFXULQCK-SUMWQHHRSA-N 452.452 5.086 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccc(Br)cc3c2)[nH]n1 1821924838 IZVCMXUDSPWNGL-QVKFZJNVSA-N 496.409 5.239 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)[nH]n1 1822393748 DWXFXLQWTFAUMB-FQEVSTJZSA-N 496.409 5.071 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C)[nH]n1 1822396120 NALWMDUUIPSGGX-NRFANRHFSA-N 489.661 5.233 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OCc3ccccc3)c(OC)cc2C)[nH]n1 1822401541 USKSCUVBCBXWDG-QHCPKHFHSA-N 488.588 5.188 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1823218475 RYHPUCYWXNVAOE-AOMKIAJQSA-N 486.963 5.182 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)[nH]n2)c1 1823218710 UWAWICNQTOYUSA-CJAUYULYSA-N 480.572 5.067 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)cc1 1823277222 QYZZSXJLIOCORR-HXUWFJFHSA-N 483.906 5.027 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823679064 WVGJMNMWOQDFRW-XMMPIXPASA-N 454.014 5.248 30 20 JKED CO[C@](C)(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](S)C(C)C)CC1)c1cccc2ccccc12 1823711602 GCEYDGRKRZGWPC-ZEZDXWPOSA-N 496.717 5.276 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccc(Cl)cc1 1823978253 YADCZABIUIYWRG-AVRWGWEMSA-N 481.999 5.388 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1824140948 BRXQMIKRXKSTJN-JOCHJYFZSA-N 486.081 5.951 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1824326487 PVBFLYIQGXWWKV-YFNKSVMNSA-N 491.717 5.148 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(Br)cc2C)CC1 1824501061 OQOSRYDIWNYZJC-LJQANCHMSA-N 497.499 5.035 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1824539492 XMTGPVOPGIRFPT-RSXGOPAZSA-N 481.706 5.094 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2C(C)(C)C)CC1 1827296828 LLAZBSMKWAUZRL-UPVQGACJSA-N 451.655 5.381 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn3c(Cl)cccc3n2)CC1 1828084617 NSBPLRXFHXXBIA-NRFANRHFSA-N 471.045 5.213 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1828351468 HPGYWIRQOGDLRS-ZJSXRUAMSA-N 454.014 5.191 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1)C(F)(F)F 1828459243 KWHOUESKTHRXKV-NMIHRBCNSA-N 454.577 5.331 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc12 1828581699 QLGXYQCOALPNEJ-LYZGTLIUSA-N 482.628 5.651 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1828746276 ZUJRRKAJUDUIDY-DEOSSOPVSA-N 474.992 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1 1828821907 UKPYDAKEIUHNHJ-ZGIBFIJWSA-N 491.720 5.287 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1828827799 VGLLQAFFMFESAO-JTHBVZDNSA-N 499.652 5.628 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1828905155 KFMMJHIJYZZNGE-HHHXNRCGSA-N 489.736 5.519 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1828907222 ZFKWKGJLFNTDLH-QHCPKHFHSA-N 483.754 5.514 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nn2-c2ccccc2)CC1 1829066534 IIRRTLPBSXRVRH-RUZDIDTESA-N 476.665 5.406 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)CC2)C1 1829581237 VRIZONLVFXKADM-QFIPXVFZSA-N 461.631 5.354 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829703486 BRTMOJLLYYXAQO-HSZRJFAPSA-N 454.998 5.513 30 20 JKED C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2CSc2ccccc2)CC1 1829709041 ROKJIQVHALLYSH-XMMPIXPASA-N 482.596 5.124 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1830441171 VHWXTCITUKOXGI-UWJYYQICSA-N 484.534 5.212 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1830721056 VLJHDDQBJHDWJS-NRFANRHFSA-N 489.925 5.176 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830804351 GBOQILCHIGOEHH-QHCPKHFHSA-N 478.555 5.141 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sc(C)cc4[nH]3)CC2)c1 1830890291 UGUVXDQGZVRILU-DEOSSOPVSA-N 474.630 5.265 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830977116 AKWHXGPPZOBVNN-OAQYLSRUSA-N 456.677 5.362 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)ccc2[nH]1 1831036268 UTSDARXMMWBQGN-SANMLTNESA-N 489.019 5.549 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(F)(F)c2ccco2)CC1)c1ccccc1 1831143613 KVXOVIGSRHHUKL-ZEQRLZLVSA-N 482.571 5.188 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1832027771 AQOAGDPJODUGIJ-VWLOTQADSA-N 464.650 5.217 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccoc2)CC1)c1ccccc1 1832348245 RIGJVBLABABWSI-SXOMAYOGSA-N 460.618 5.029 30 20 JKED COc1cc(F)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832533829 DEKZCFHSVRMLPN-DFBJGRDBSA-N 477.580 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4c(c3)CCCO4)CC2)c1 1832631729 HHIFLURWRZGYFB-SKCUWOTOSA-N 499.655 5.115 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633131 CMIQMVHJQWCMSG-DFBJGRDBSA-N 494.035 5.523 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1832822637 MHJSVDSDAQFKLI-HXUWFJFHSA-N 485.839 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)C1 1843202123 FVYYOMXIGIAJGS-RUZDIDTESA-N 465.597 5.487 30 20 JKED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)C1)c1ccccc1 1843993698 HEWKYTOIQDZWHS-QHCPKHFHSA-N 486.015 5.211 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Br)cc(Cl)c3[nH]1)C2 1844203648 AXLWJPWQDRKWNT-KRWDZBQOSA-N 490.829 5.169 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)C3)c1 1846829269 YBLJJLRIDGASQG-INIZCTEOSA-N 489.925 5.046 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc3c(c2)CCCC3)c1C 10168060 YIBNHJQPVABWHI-UHFFFAOYSA-O 490.649 5.252 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179161 NNNJXFORQBWYHP-UHFFFAOYSA-O 494.414 6.908 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)nnc1-c1cccc(C)c1 10241257 DRAVYUYPMANDKJ-RUZDIDTESA-N 492.645 5.206 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccc(F)cc1F 11247327 IRQOMRCWDDSPDH-UHFFFAOYSA-O 476.366 5.628 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3F)[nH]2)n(C2CCCCC2)c1C 16683395 MNMUASBMBADJNJ-UHFFFAOYSA-N 452.559 5.137 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccccc1OC 16814698 LCOBDDBOSBIASQ-DEOSSOPVSA-N 486.597 5.620 30 20 JKED C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nnc1-c1ccccc1 21280682 KLVXYCWYTVDZAH-UHFFFAOYSA-N 456.531 5.437 30 20 JKED Cc1csc(SCc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 22163661 BJNOOVASZILZRM-AWEZNQCLSA-N 483.640 5.350 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(N(C)C)cc1 22728209 WUZORRBAGARDMA-UHFFFAOYSA-O 460.957 5.331 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(Br)cc1 24015643 UCRRVDLYMCGYDA-CQSZACIVSA-N 491.842 5.975 30 20 JKED C=CCOc1ccc(C(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)cc1 24441777 LBDBNYJEWKPFQB-XMMPIXPASA-N 456.542 5.312 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(CC)cc3)s2)nc2cc(Cl)ccc2c1=O 32316773 OCHGDHXYHIPAES-UHFFFAOYSA-N 498.033 5.194 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2scc(-c3ccccc3)c2c1=O 45256089 QDDGGCRTAZCIHE-HNNXBMFYSA-N 492.582 5.339 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 46879810 GUZJELQKTDOEBZ-UHFFFAOYSA-N 493.350 6.587 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 72025238 NTVRLAKNEPAOOV-UHFFFAOYSA-N 476.945 6.093 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2cccs2)cc1 72089894 PHSLQQKPIJIXLC-OSPHWJPCSA-N 455.587 5.421 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)cc1Cl 107646424 PLXGEMWTGPXDNU-QHCPKHFHSA-N 459.933 5.140 30 20 JKED C=CCN(C(=O)CSc1nnc(C(C)C)n1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 110239251 NIFRFUCIHFMIAL-UHFFFAOYSA-N 482.462 5.680 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 302952863 AWLBVVNUSYDMFA-UHFFFAOYSA-N 459.402 5.193 30 20 JKED N#C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(OCc2ccccc2)cc1 303274697 SDABRTICOVKSAN-XMMPIXPASA-N 457.530 5.452 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1cc(OC)ccc1OC 409471834 ZXAQIIIQYGBRKI-CQSZACIVSA-N 451.336 5.064 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NC(c3ccccc3)c3ccccc3)cc2F)c1 481002368 OTKALHHKLLUUNQ-UHFFFAOYSA-N 479.511 5.121 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 483351800 MCELYRDFEAHQKY-HYBUGGRVSA-N 455.533 5.149 30 20 JKED CN([C@H](c1ccccc1)C(F)(F)F)S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 488793199 PBLWNLGFPQEGMU-MRXNPFEDSA-N 473.410 5.028 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490628035 PORAORJUQNIQLP-UHFFFAOYSA-N 487.556 6.067 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1 498310570 LZEHOGHKMQEPAQ-RUZDIDTESA-N 458.539 5.030 30 20 JKED C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 502540719 IMUYAZBAISHEGD-SFHVURJKSA-N 497.492 5.438 30 20 JKED N#Cc1cn(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c2ccc(Cl)cc2c1=O 502841808 LYWVGYGKLCWDAK-UHFFFAOYSA-N 464.308 5.611 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)ccc2Br)nnc1-c1ccc(Cl)cc1 503490549 PHMWBJRWFNFDOL-UHFFFAOYSA-N 493.814 5.286 30 20 JKED N#C[C@@H](C(=O)c1occc1CN1C(=O)Cc2ccccc21)c1nc(-c2c(F)cccc2F)cs1 503530829 NEYPKELYWZBKST-INIZCTEOSA-N 475.476 5.261 30 20 JKED N#Cc1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 504387870 KCGXIMDDMBKEMD-GOSISDBHSA-N 472.397 5.743 30 20 JKED Cc1ccc(-n2c(SCC(=O)c3cn(CCC#N)c4ccccc34)nnc2N2CCCCC2)cc1 505791766 XFVGXWGKFLPIEN-UHFFFAOYSA-N 484.629 5.409 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)cc1 508464176 DPMYJSKAADHZCA-UHFFFAOYSA-N 486.553 5.904 30 20 JKED COc1ccc2c(-c3ccccc3)c(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)oc2c1 508639544 WDCCHYFYOIQLSE-UHFFFAOYSA-N 465.553 5.328 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccnc2OCC(F)(F)F)cc1Cl 510043910 KMMIZUSGAMVZKT-LJQANCHMSA-N 474.870 5.653 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc(COCC(F)(F)F)cc3)s2)cc1 510081318 JTRKPEHPTUSFEI-UHFFFAOYSA-N 493.536 5.103 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 511484915 UJHOPMYSGSCCGB-VWNXMTODSA-N 459.977 5.838 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 511755532 LOTNXTDQZGWULY-IBGZPJMESA-N 486.424 6.479 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 514434396 TXJMURRPQLHTOT-HNNXBMFYSA-N 469.517 5.533 30 20 JKED C=CCn1c(SCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)nnc1-c1cccnc1 515425905 UNYFRDBSQWFHSF-QHCPKHFHSA-N 494.624 5.048 30 20 JKED Cc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1I 515649223 VBTYSNPWQNWXQH-UHFFFAOYSA-N 482.321 5.497 30 20 JKED CCCc1ccc(C(=O)CCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 516538180 NITJXBWVNNDLOL-UHFFFAOYSA-N 450.589 5.256 30 20 JKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517121716 ACXVKEDCKBOMBO-AWEZNQCLSA-N 469.875 5.440 30 20 JKED C=CCOc1c(Br)cc(CNCC2CCN(Cc3cccs3)CC2)cc1OC 517552195 ALAUJMCJZIREMO-UHFFFAOYSA-N 465.457 5.086 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(C3CC3)nc21 518516597 MTJLCOOTEVPERC-IBGZPJMESA-N 452.543 5.375 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1ccccc1 518751399 RJPFZHYYXTZSMV-HXUWFJFHSA-N 475.614 6.332 30 20 JKED CC[C@]1(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)CCC(=O)NC1=O 518811108 RQMYNWUKAKCCIL-MUUNZHRXSA-N 483.593 5.187 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 519407044 QFSDPZMGCVUWDY-UHFFFAOYSA-N 466.950 6.118 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cc4)CC3)c2c1C 519991578 SOKIDQNMPNTMJJ-UHFFFAOYSA-N 483.597 5.827 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 520848017 CNHZMZXCSIYNFX-HXUWFJFHSA-N 495.954 5.961 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c2c(C(C)C)noc2n1 521304535 CJDRSFHEQZQZOZ-UHFFFAOYSA-N 485.491 5.845 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1 522222529 NJEJZKSOPBGAGZ-JOCHJYFZSA-N 493.361 5.010 30 20 JKED C=CCc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc(OC)c1OC 523239573 PXYNJUGLHQOYNR-GOSISDBHSA-N 467.953 5.156 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)cc1 553499793 LIMFGKFCSQPSIC-UHFFFAOYSA-N 484.350 5.284 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586792077 FJWVOKABLYXCOS-HUUCEWRRSA-N 495.439 5.964 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 603738875 FGOQNQNXGKXNQC-JOCHJYFZSA-N 495.366 5.604 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 603755359 PHIOWQQGFUELKD-UHFFFAOYSA-N 490.401 5.553 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604084970 PNLIAFCJGSJESD-RUZDIDTESA-N 484.003 6.482 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1Cl 604164351 MGUYJOHTIUZAKU-XMMPIXPASA-N 473.935 5.389 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)cc1 608855578 RDDMJMYUOQTRJH-FQEVSTJZSA-N 484.021 5.153 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCCC[C@@H]3c3ccc(C(F)(F)F)cc3)cn2)c1 608864778 ATTBYUPGRBCUFG-JOCHJYFZSA-N 494.473 5.457 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3ncccc3OCCCC#N)cc12 608868816 QDPHJJIPJXZKTL-UHFFFAOYSA-N 465.966 5.438 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 608991599 JMTFAJTZLXLHBN-AFMDSPMNSA-N 473.646 5.586 30 20 JKED N#C[C@H](C(=O)c1ccc(I)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 609150328 YMZKZRBAPYJDRW-SNVBAGLBSA-N 490.219 5.549 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 609384691 HWFNQOTXVCUEGO-QFBILLFUSA-N 450.589 5.383 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 609402705 LCXMTIVPNHXZJI-CQSZACIVSA-N 450.391 5.232 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccncc1 609402719 MWIVPSHGEQEFCT-IBGZPJMESA-N 476.524 5.189 30 20 JKED CCn1c(CNc2ccccc2S[C@@H](C)CC#N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 609431786 REDSPBWPEWRQFC-IBGZPJMESA-N 497.690 5.237 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 614011939 FQPCPDIKUVVVFP-KRWDZBQOSA-N 463.390 5.487 30 20 JKED COc1ccc([C@H](NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2)cc1 619670491 VCALNWDMIGYUDN-NDUPCHFUSA-N 492.435 6.132 30 20 JKED COC[C@@H](C)n1c(SCC(=O)Nc2cccc(C#Cc3cccs3)c2)nnc1-c1ccccc1 624832131 BYHSCSMDTNSOCE-LJQANCHMSA-N 488.638 5.345 30 20 JKED CS(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 642281892 XXRNWRCFRDMTLM-HNNXBMFYSA-N 451.356 5.010 30 20 JKED Cn1ccnc1[C@@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccc(F)cc1 642339792 STUVFCKABRLWGF-PKOBYXMFSA-N 461.381 5.310 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726301243 XDBKRQNDNNAQQU-SANMLTNESA-N 478.552 5.027 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 726397743 IUKNVIWKTJZTRW-JXFKEZNVSA-N 493.551 5.399 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccccn2)c1 726410478 HGDONAUIUHHZIS-HSZRJFAPSA-N 489.000 5.185 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@@H](C)c2cccs2)c1 726420620 IYSNARLBWVRHAL-SHZNUGFISA-N 479.627 5.347 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)cn2)cc1 728150405 QGABJLOQPNBOFL-NRFANRHFSA-N 480.446 5.067 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1OC 728186444 QITGFSWLDOIUTF-UITAMQMPSA-N 459.980 5.568 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccc(C)n2)c1 728422647 DNAQOPQIASSYJT-XMMPIXPASA-N 483.597 5.039 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 728424860 BGQGEWVPZSBAEA-UZUQRXQVSA-N 487.560 5.122 30 20 JKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nn(CN(C)[C@H](C)CC#N)c1=S 728902533 RGDMPHHKTGGUSK-OAQYLSRUSA-N 499.640 5.849 30 20 JKED O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(SC(F)F)cc1 728976407 WCTGZCLQWQATHS-INIZCTEOSA-N 459.358 5.200 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H]2CCc3c(C)cccc32)C1=O 729630872 FFGYPIRIIYATAR-OALUTQOASA-N 462.402 5.057 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1F 729819293 YPEAUQRXLYRFLT-HSZRJFAPSA-N 472.545 5.166 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 730446231 MZTNDLUVIMSAMH-GOSISDBHSA-N 465.596 5.495 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(F)cc2)c(C)s1 730717839 SJVDOVAWLUCHRU-LIRRHRJNSA-N 483.594 5.016 30 20 JKED COC(C)(C)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 730884441 DDVXZAZMYWFKMZ-CSKARUKUSA-N 468.575 5.206 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2Cl)cc1 731061936 ZRTQSPYDOJFRHF-QGZVFWFLSA-N 497.020 5.391 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c1C 731307210 FZCZOTBAUWTCHV-NRFANRHFSA-N 465.600 5.231 30 20 JKED COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3cccc(OCc4ccccc4C#N)c3)nc2c1 731319314 OKMFSHWEMSVQAK-UUYOSTAYSA-N 471.900 5.310 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2Br)C1 731400755 TUWMGIWTAMMQMV-BEFAXECRSA-N 460.397 5.449 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Br)cc2Cl)cc1 743410654 FWZCJDFLGYDQCV-FQEVSTJZSA-N 482.765 5.013 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)SC1=Nc1ccccc1C#N 746694061 MWTKJCMJRHBJRO-QFIPXVFZSA-N 499.036 5.297 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cscn3)C2=O)c1 747600005 MKLHLZGXVCTMCR-HXUWFJFHSA-N 485.034 5.574 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cscn3)C2=O)cc1 747602533 NONBBXAXNURCET-QFIPXVFZSA-N 494.642 5.319 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748621190 IUVMWMOBTXJJKQ-IBGZPJMESA-N 464.865 5.681 30 20 JKED CC(C)Oc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)cc1 749653542 BCMXHMQVVQSOEJ-UHFFFAOYSA-O 470.618 5.835 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 750686121 DTCRUEVVUPUJOP-UTKZUKDTSA-N 468.985 5.374 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 750703532 ABFNUPFQNHHMQC-LJQANCHMSA-N 480.565 5.128 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccs2)cc1 838085498 ASZJDVLNWOYGDU-QFIPXVFZSA-N 495.626 5.316 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccccc2)C=C1 912825353 UVTRQTUXEKOHKK-UHFFFAOYSA-O 452.987 5.357 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694077 CJPULZJGYHBXBF-HXOBKFHXSA-N 495.576 5.409 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 915085134 GZOGLFRHNXRQAX-RPWUZVMVSA-N 478.379 5.892 30 20 JKED COc1cc(/C=C\C(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 915271451 VSGGZRVBNOZXCU-BENRWUELSA-N 494.469 6.109 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 915751246 CTZLEOSUHLBKGW-FGZHOGPDSA-N 461.974 5.287 30 20 JKED O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1ccc(N2CCOCC2)c(F)c1 916128612 QGNJEDCZSZQVTI-ALCCZGGFSA-N 473.367 5.444 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccc(F)cc2)cc1 916214925 RKEDPIZDGGYNTL-HSZRJFAPSA-N 495.551 5.176 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2nc3ccccc3s2)o1 916310007 QVQADDKAQFVALV-UHFFFAOYSA-N 468.563 6.185 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc(-c3ccco3)nc21 916887167 MURLCUMPTCOBOT-KRWDZBQOSA-N 495.511 5.548 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 916906605 FSOCAMJWPJEVJP-NRFANRHFSA-N 482.492 5.621 30 20 JKED CCN(CCC#N)C(=O)CSC1=N/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1cccc(OC)c1 917155786 AKDDHJIIXULRKU-JLPGSUDCSA-N 490.629 5.058 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 917507148 PKHQJGFEDNIYFX-INIZCTEOSA-N 499.386 5.505 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cs1 917560188 IUYWLDDDEWSPKH-GHXNOFRVSA-N 476.533 5.175 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(C3CC3)C2=O)cc1 917700938 MNBMXGCKKRJAJF-HSZRJFAPSA-N 457.555 5.165 30 20 JKED Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917876230 JXBPIYYAUSUOBR-UUYOSTAYSA-N 474.883 5.075 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 918491497 ASQZGNGTJOFADJ-KRWDZBQOSA-N 450.361 5.712 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920140339 FBZZPIOHGGJFGS-FQEVSTJZSA-N 469.595 5.453 30 20 JKED CCCOC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 928990919 XUNCXXJXXVYARH-UHFFFAOYSA-N 473.554 5.108 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CNc4ccccc4O3)CCC2)cc1 1785842586 GVBJCIQCFNNUHW-JOCHJYFZSA-N 461.606 5.376 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)CCCc4ccncc4)CCC3)cc2)c1 1786036263 XODOACLCFXLTQT-UHFFFAOYSA-N 466.585 5.043 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1 1786546731 XINMHBUOJXZGGK-WHLIWEHUSA-N 495.664 5.416 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C3CCN(Cc4ccccn4)CC3)cc2)CCC1 1786929227 BEOCFNNRVHYHFW-UHFFFAOYSA-N 486.660 5.196 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3scnc3C)cc2)CCC1)c1ccc(O)cc1 1787424579 FKVXFLFHBOZGEQ-HXUWFJFHSA-N 473.598 5.102 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)c1 1788359057 RSZPUSSMAZBFCS-UHFFFAOYSA-N 452.558 5.355 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CN(C(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1789448590 CWKPPAAWBOPDRD-HSZRJFAPSA-N 481.637 5.288 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)ccn4)cc3)CCC2)c1Cl 1789721463 LJYNORAERHXQPF-UHFFFAOYSA-N 465.340 5.322 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790089787 CRIPCPMJRJONKL-GCFUEJLLSA-N 495.963 5.363 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)c(O)c1 1790244451 UASLFFJLKQFQRT-UHFFFAOYSA-N 499.567 5.121 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccccc3)cc2)CCC1 1790471754 OMDQFJISPOSXTO-HSZRJFAPSA-N 477.605 5.005 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCCCCCC(=O)OC(C)(C)C)cc2)CCC1 1790561552 FHQZWUXZRZGCKX-OAQYLSRUSA-N 486.653 5.394 30 20 JKED Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)ccc2[nH]1 1790708746 RHAHRYGQFJFKIK-UHFFFAOYSA-N 462.553 5.604 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790838473 OTKGKENGUODMKK-MUFRIFMGSA-N 486.959 5.348 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791253720 GIDUBJQULLQWGS-RBBNJCGNSA-N 495.664 5.272 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C3(C)CCC(NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1791478587 JLDCHRUHHGZYQH-UHFFFAOYSA-N 495.664 5.398 30 20 JKED COc1cc(C)ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1792100484 KFUCVQFNYAOFQL-UHFFFAOYSA-N 453.542 5.131 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccnc4)CCC3)cc2)c1 1792123390 YLCXMLSUXQMJGI-BNCSFYMNSA-N 450.542 5.170 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc(C)n1 1792123784 QOGDLMOYTIIAKX-IBGZPJMESA-N 466.585 5.641 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C(=O)N(C)C)c4)CCC3)cc2)c1 1792123848 DDNJRZPAPQXXOH-HXUWFJFHSA-N 494.595 5.077 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3Br)CCC2)cc1 1792266362 QLCDBHYWFZOVDI-UHFFFAOYSA-N 459.771 5.264 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)C2 1798590827 PDLOLRPVUOPNBB-UEQSERJNSA-N 497.680 5.191 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(F)(F)F)c1cc(F)ccc1C(F)(F)F 1799588787 XTJUUIVNSUBWKA-QDMKHBRRSA-N 488.403 5.429 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC#N)cc3)CC2)C1)c1ccc(Cl)cc1 1805635692 KPARGEQIOTZVBO-SANMLTNESA-N 492.063 5.691 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)C2)CC1 1807695887 RRGZZTKTYKCTKQ-UHFFFAOYSA-N 465.613 5.658 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1)C(F)(F)F 1809213563 UBNVYCNSCPIJMQ-HNAYVOBHSA-N 493.938 5.388 30 20 JKED Cc1ccc(SCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1809476262 FXJMFYWBPVUCTE-AHCMPFEKSA-N 498.652 5.129 30 20 JKED Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810273632 FEVCTRJMMGXKFA-GGXMVOPNSA-N 489.736 5.080 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1ccccc1 1810445103 YCIAREJHARUOAR-STXQHDJLSA-N 486.015 5.252 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cncc2Cl)[C@@H]1c1cccnc1 1810489370 LLDHLEXJVQPRRH-DYESRHJHSA-N 475.420 5.095 30 20 JKED CC(C)/C=C/C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811252133 SLSGQAXQGCUYRD-ZFHWXBASSA-N 477.608 5.013 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1811304791 PVJXRJQVCBSQIN-NLFFAJNJSA-N 497.624 5.161 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc4occ(Cl)c4c3)[C@@H]2c2cccnc2)cc1 1811435924 PXHXULMUPLNXRX-GJZUVCINSA-N 498.970 5.181 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@H]2c2cccnc2)c1 1811800430 IAIXEAQLGROHIV-VMPREFPWSA-N 486.575 5.254 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(C(C)(C)C)oc3C)[C@@H]2c2cccnc2)c1 1811928266 YUGFQYFDWOHNGP-ATIYNZHBSA-N 484.600 5.094 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@@H]1c1cccnc1 1812806485 ZFGZDWVQROZTNL-YZNSXSMUSA-N 495.689 5.585 30 20 JKED CC(C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1)c1ccc(F)cc1 1812959366 FDUPUCFDBRIWIC-MYKRZTLLSA-N 498.602 5.046 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813230351 HZLKHGRBPFZKAL-HXOBKFHXSA-N 492.834 5.555 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1813976634 RUCBRPZZSGLICA-WZONZLPQSA-N 491.941 5.267 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CCCCCCCCCCC(=O)OC)[C@H]2c2cccnc2)C1 1814220353 CXIWDKGIGSUGKJ-RBJSKKJNSA-N 497.680 5.128 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)cc1 1814379113 BVHQZAMTKRREAV-FTXPHJNYSA-N 459.594 5.043 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)[nH]n1 1814443937 JWCBETMMJSQWSB-SFHVURJKSA-N 468.989 5.238 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1815090428 RESQXVUAXVYGEU-NTKDMRAZSA-N 487.629 5.087 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(F)cc2F)n[nH]1 1815522047 YTZRTRMIFCRFFO-UFSNDUKISA-N 454.521 5.162 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cccs3)on2)n[nH]1 1819788769 ZBKGKZLPGSIRGL-SFHVURJKSA-N 467.595 5.425 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c(Cl)c1 1820223845 UZSMRVLPZQOSGR-FQEVSTJZSA-N 498.370 5.216 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)C4(C#N)CC4)[nH]n3)ccc21 1820226002 VEYAIWGCYGULHT-DEOSSOPVSA-N 480.572 5.147 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1)c1ccccc1 1820482025 RPSSLESVQCFMPP-ILBGXUMGSA-N 455.562 5.027 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)n[nH]1 1820950283 LRANDBBZDHPJTA-UYAOXDASSA-N 489.661 5.088 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C#N)CC3)[nH]n2)cc1Cl 1821339394 IMWDULMGPHYGFP-GOSISDBHSA-N 490.391 5.113 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822313661 ANILCJFFGGMIRS-GOSISDBHSA-N 485.610 5.095 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)[nH]n1 1822397805 UOTKUBBJTDUDDM-FQEVSTJZSA-N 464.566 5.245 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n[nH]2)c(Cl)c1 1822573823 ZOKIUSVMVLXJSJ-MZKRTTBSSA-N 473.964 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)ccc2Cl)n[nH]1 1823129512 PWLDHMBXEAGIFQ-FQEVSTJZSA-N 458.990 5.370 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)[nH]n2)c1 1823211478 MLYYAZBUJFTGGK-MGPUTAFESA-N 482.009 5.300 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)[nH]n2)cc1C#N 1823294685 RAFNMEMFMQDWOT-ZCYQVOJMSA-N 497.599 5.104 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823676284 MJPIWYLEVSENKK-RDGATRHJSA-N 468.041 5.823 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1F 1823905784 QEHGZIKAVMHGQO-CJFMBICVSA-N 461.581 5.308 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 1824137742 NZQLTMMGRGEGPT-SXOMAYOGSA-N 464.650 5.079 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1824496999 SILCBICXQDCLDG-DEOSSOPVSA-N 472.029 5.037 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1824500313 BFYFSGVZHHKLPW-QFIPXVFZSA-N 481.464 5.518 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1824961085 TZXOGXXWNFQLON-HXUWFJFHSA-N 455.451 5.146 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1825784422 VCBSCVIMVAUJJA-FQEVSTJZSA-N 456.011 5.129 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cc(Br)ccc4c3)CC2)CC1 1826682623 CJPZNQXKRJXFOM-QHCPKHFHSA-N 494.433 5.139 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cccs3)CC2)c(Cl)c1 1827079098 QIXSUWSFSKHXGN-WCYCAPIHSA-N 468.022 5.220 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827263371 COGGNRRVAFQADM-QFIPXVFZSA-N 486.081 5.951 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)c1 1828155201 ZENMMSSWPIDLMO-QHCPKHFHSA-N 475.589 5.459 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1828823791 BDBDKEYMWYMYEE-UGKGYDQZSA-N 469.029 5.170 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 1828903290 FABUXQZFBOZGBA-FCHUYYIVSA-N 466.689 5.093 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829837576 IABZQIRIVMEPMK-HSZRJFAPSA-N 499.652 5.628 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 1830014746 DNTCHFKMXUYNJA-MHZLTWQESA-N 451.570 5.259 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC=C(C)C)CC1 1830257296 MJZBJVUPZCEEBJ-DNQXCXABSA-N 489.701 5.212 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830534705 ZFCLEGBSRFTIIF-KKSFZXQISA-N 454.508 5.290 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830676843 ZACFHOBSXLRZFA-QDPGVEIFSA-N 489.660 5.696 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723754 OHSCARKBCNNKPR-DEOSSOPVSA-N 467.972 5.206 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1 1831598797 HLFIKURNZNVUHU-NDEPHWFRSA-N 489.635 5.226 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831842597 PIDPWYYYHWUTGW-KKSFZXQISA-N 467.660 5.001 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c1 1832631998 ZGADNBYKXPGDIA-WZONZLPQSA-N 475.614 5.668 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2c1 1832632228 MYCXEXXEYLTYHO-RBTNQOKQSA-N 482.628 5.651 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc4ccccc34)CC2)c1 1832632575 TYHYGMIHPMQPLX-LYZGTLIUSA-N 480.612 5.409 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699068 RCVMGTGIKONVAE-AJTFRIOCSA-N 460.618 5.178 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)cc1C#N 1832704694 OZMPMYUOIPTWOI-ITMPFJHPSA-N 477.649 5.325 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707264 PHPNREZVRKBQRO-WOJBJXKFSA-N 474.564 5.032 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832709514 YJMYRUXJAWJFOD-QGZVFWFLSA-N 468.413 5.030 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1832711810 RESCMRPNCDSIIS-GOSISDBHSA-N 494.451 5.420 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)sc3Cl)CC2)CC1 1836019792 LUUYWHMHDOWDLX-UHFFFAOYSA-N 486.509 5.233 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)C2 1841058237 SQLOBRVWLLYSCF-HXUWFJFHSA-N 483.653 5.082 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1847620101 QYTRRDKEGUWPPG-FOPLLJASSA-N 455.042 5.584 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nnc1-c1ccccc1 9447518 LLBQLYFUWDEAIC-UHFFFAOYSA-N 457.584 5.388 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 14872546 KGNTXQMKABULEM-UHFFFAOYSA-O 493.958 6.530 30 20 JKED N#CCC[C@H](C#N)CSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 15234190 AXVQAGJWEDMXBR-GOSISDBHSA-N 466.408 5.486 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(Cl)cc1 15276157 JJZZDUCIAJYYSM-GFCCVEGCSA-N 467.809 6.211 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)cc12 21459569 DVPWJQAEAJLHIG-AWEZNQCLSA-N 464.934 5.105 30 20 JKED C[C@H](OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 28178354 KYORKUZDTXGVMR-SFHVURJKSA-N 484.943 5.177 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 31282866 DHGFTTOGVZQNKV-OAQYLSRUSA-N 489.366 5.205 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 32789075 FDWQOTZRPVRDCT-HNNXBMFYSA-N 497.596 5.576 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)c1C#N 104973714 HQAVRJIMYHWGJK-FQEVSTJZSA-N 495.612 5.264 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc2ccccc2c1Br 107806836 LXKHBTDZTHEEMC-UHFFFAOYSA-N 488.341 5.987 30 20 JKED Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nc(C)c(SCC#N)s3)[C@@H]2c2cccs2)cc1 107899207 HPNAZUHMWFNGEB-VQIMIIECSA-N 468.629 5.170 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2)cc1 482868451 MBFVAGGJTSPDGU-UHFFFAOYSA-N 466.463 5.163 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3occc3CN3C(=O)Cc4ccccc43)cc2Cl)c1 486499125 QZQFZDUIWNXJMC-UHFFFAOYSA-N 497.938 5.725 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3cnco3)cc2)c1 487530002 PYQVCLKTNWOPSY-UHFFFAOYSA-N 493.972 5.629 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)CSc3cccc4cccc(Cl)c34)CC2)c1 501710261 AYILEYNBYILEOJ-UHFFFAOYSA-N 463.990 5.334 30 20 JKED CSc1nn(-c2ccccc2)c(NC(=O)c2oc3ccc(Br)cc3c2C)c1C#N 501721200 MPRBKUZMNPRUHN-UHFFFAOYSA-N 467.348 5.535 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1 502985962 WPRYKDKRGPCQIA-HXUWFJFHSA-N 450.926 5.040 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 509275757 GWGHMPIQAKHWSX-UHFFFAOYSA-N 481.474 5.245 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CC2)c1 509951912 APYQOAGROJZCFY-FQEVSTJZSA-N 486.572 5.278 30 20 JKED C[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 511554078 LKIRBFXKUZPGHR-AOMKIAJQSA-N 470.953 5.326 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 511754366 JELLSCGWOZBVSO-HXUWFJFHSA-N 451.979 5.826 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)cc2F)c1 511858651 IPMLIWFIZCHEQB-JOCHJYFZSA-N 495.963 5.084 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(C(F)(F)F)cn1 513213157 DKPXKTNCTLQDHN-SFHVURJKSA-N 488.263 5.605 30 20 JKED Cc1nc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)sc1SCC#N 514577870 YHGOHROSMQYIPT-UHFFFAOYSA-N 474.677 5.203 30 20 JKED COc1ccc(CCCN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 516094822 BVJVEBHHCILZNH-XMMPIXPASA-N 475.976 5.034 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4cccs4)n(-c4ccc(F)cc4)n3)n2)cc1 516270459 ZLHCPLAFXVUJAV-LJQANCHMSA-N 496.552 5.620 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 517465118 WXZBVMWBVONJKQ-GJZGRUSLSA-N 482.606 5.325 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 518260631 PGMCFYUCSITVEO-HZPDHXFCSA-N 450.589 5.020 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(F)cc2Cl)cc1 518671966 MZKDCZVDOSHLOD-MZNJEOGPSA-N 496.007 5.884 30 20 JKED Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nnn1-c1ccc(OC(F)F)cc1 518700350 GGJMZTFHFNAQSY-UHFFFAOYSA-N 477.496 5.128 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 518750457 PRVBLIYRGKZEOL-FQEVSTJZSA-N 495.608 5.188 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1C 519941903 HGMJYLZKVUNMQU-UHFFFAOYSA-N 483.616 5.738 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCc3ccncc3)cc2)cc1C 520532281 LVXBCHGGRWDIIZ-UHFFFAOYSA-N 451.530 5.307 30 20 JKED Cc1cc(COc2ccc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)cc2Br)no1 520667310 DUSHQQWYTBYVBO-UHFFFAOYSA-N 468.351 5.499 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 521194796 ZERFGWKRFPQOQC-XMMPIXPASA-N 461.949 5.061 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccccc1S[C@H](C)CC#N 521800678 QPRUUJLWCIKPDJ-CQSZACIVSA-N 473.429 6.371 30 20 JKED C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 522246053 HZVTYHPNGFIATA-ZCOMDJCQSA-N 451.570 5.362 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc(Br)c1OC 522861892 DGKWKJXOTURDMO-UHFFFAOYSA-N 482.334 5.452 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccccc4Cl)n3)n2)cc1 524242975 NNUFAMKJOWFKIC-INIZCTEOSA-N 451.960 6.086 30 20 JKED COc1cc(CCC(=O)N(Cc2ccccc2)c2ccccc2C#N)ccc1OCC(F)(F)F 554596996 QPYJPVBDZRRPGB-UHFFFAOYSA-N 468.475 5.674 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc2cc(C(F)(F)F)ccc2s1 588348974 LBDGKCUVXNPRLQ-LBPRGKRZSA-N 473.457 5.657 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)c(F)cc3Cl)s2)c(C(F)(F)F)c1 603757562 PTTWJCWVODBJCJ-UHFFFAOYSA-N 457.811 5.808 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2)cc1 603764938 PMSNYMRLGFXCPO-UHFFFAOYSA-N 498.564 5.131 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cn2)cc1 603765197 RYGHREOQDVUANN-UHFFFAOYSA-N 458.481 5.246 30 20 JKED CCC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 603897072 QMNZOYFRDKRKTR-UHFFFAOYSA-N 458.465 5.225 30 20 JKED N#Cc1c(SCC(=O)N2CCC(OCc3ccccc3)CC2)nc2c(c1-c1ccco1)CCC2 603904315 ALTKJFORLVKKJS-UHFFFAOYSA-N 473.598 5.002 30 20 JKED Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2)nc1 604089553 DFBZXSYGYPZIJB-LJQANCHMSA-N 489.963 5.590 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(C(F)(F)F)c1 604463831 NBKFFYFFRAYDFH-OAHLLOKOSA-N 453.420 5.185 30 20 JKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604522815 BDIALZRNIAVYJG-JYFHCDHNSA-N 468.557 5.442 30 20 JKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604522820 BKNNQTUWJIGZNO-LSYYVWMOSA-N 469.585 5.963 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC 609007738 SYFSVCHVOIXJFF-OAHLLOKOSA-N 478.357 5.137 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 609052674 ZNSGSJKBQQIWCY-UHFFFAOYSA-N 484.031 6.040 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3)cc2Cl)c1 609062861 IGPCYUGRSUBCNT-HSZRJFAPSA-N 459.933 5.034 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)C2)c1 609063583 DYQFMYJSIWAOLO-HSZRJFAPSA-N 468.557 5.328 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 609079269 SVIHLWDCRYLADS-QFIPXVFZSA-N 492.579 6.302 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nn(-c2ccc(F)cc2)c2c1CCC2 609389530 QZDULJJECYSBQC-KRWDZBQOSA-N 480.634 5.624 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 609435389 LQEUKBODXHYTIZ-AGIUHOORSA-N 453.452 6.112 30 20 JKED Cc1cccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 609439847 PDKXTDACEDRYMP-LJQANCHMSA-N 459.571 5.437 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nc2ccccc2n1C(F)F 613404373 PHYHBIDRSJUYIA-GOSISDBHSA-N 499.304 6.481 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)cc1 614999827 MHGZZRQUODPNKU-UHFFFAOYSA-N 459.575 5.217 30 20 JKED CC(C)c1ccc(Nc2nnc(SCC(=O)Nc3ccccc3SCC#N)s2)cc1 618900566 VGZLKWBHJLXZDG-UHFFFAOYSA-N 455.634 5.752 30 20 JKED C=CCOc1c(Br)cc(CNC[C@H]2CCCN(Cc3cccs3)C2)cc1OC 622603368 YNLBGQCJEXLBKR-QGZVFWFLSA-N 465.457 5.086 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1OC 642282527 ZZEZPTZCUOXTOL-ZDUSSCGKSA-N 454.458 5.062 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cnc(N2CCCCC2)s1 677134267 IYKNZVPNGVLWSY-UHFFFAOYSA-N 490.054 5.118 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccsc1)c1cccs1 726420984 NIQFHKLMUNCAEW-UNJCWQMKSA-N 473.620 5.539 30 20 JKED Cc1ccc(N(CCC#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 726942013 OCVCSKYERPBYIL-UHFFFAOYSA-N 465.513 5.245 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727626434 BXEVRSVYTCXYCO-OAHLLOKOSA-N 473.385 5.167 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccsc3)C2=O)cc1 728425304 MTNHMYWWEXPLFU-HXUWFJFHSA-N 482.537 5.058 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ncccc1C 729634617 PAYYALGKJZDDDU-HSZRJFAPSA-N 494.567 5.391 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1F)c1cccs1 729818436 SRGKOJPFUPOIHS-OVZBCHHNSA-N 492.601 5.349 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCCC3)C2=O)cc1 730534055 PZKHUEGJKAOEKB-JOCHJYFZSA-N 467.566 5.240 30 20 JKED N#CCCn1cc(C(=O)COC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)c2ccccc21 730625106 NPIBNFNYELDAHI-SANMLTNESA-N 474.463 5.379 30 20 JKED Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cs1 731080778 PZZUMXYWIPMYBV-INIZCTEOSA-N 451.573 5.308 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731304057 GUWIPKLMBXADSH-LJQANCHMSA-N 477.508 5.314 30 20 JKED Cc1ccc2c(c1)[C@H](N1C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC1=Nc1ccccc1)CC2 731307301 QXXUYOCKAVIZLR-DNQXCXABSA-N 471.582 5.348 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c1C 731308595 OAMRTVGWONTFDS-WZONZLPQSA-N 474.586 5.126 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C#N)c(Cl)c1 731315668 KHIUXOIZXPDXMC-FQEVSTJZSA-N 470.982 5.068 30 20 JKED CN(C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1)C(=O)OC(C)(C)C 731399864 HFXGZEORBCZXAQ-HXUWFJFHSA-N 464.566 5.461 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3CC)N(Cc3cscn3)C2=O)cc1 747600431 BBPRWPJILIUYPU-JOCHJYFZSA-N 494.642 5.265 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cscn2)C1=O)Nc1ccccc1 747603336 SZEXJFWEJGHBID-GOSISDBHSA-N 490.532 5.322 30 20 JKED O=[N+]([O-])c1ccc(NN=Cc2cccc3cccnc23)c(S(=O)(=O)Nc2ccccc2Cl)c1 818201496 DRADYCNSEIKNSM-UHFFFAOYSA-N 481.921 5.043 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1C1CCN(C2CC2)CC1 837284342 FZEBOLQJUVTJGE-QHCPKHFHSA-N 494.636 5.030 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1Cc1ccccn1 838536163 RHWFFCYCOVCZFE-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CC(C)Cn1cc([C@H]2N(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC23CCOCC3)cn1 849533284 URQWOQOJIQQWIT-AREMUKBSSA-N 470.573 5.197 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 854508255 INUBYASDBJERJA-JOCHJYFZSA-N 493.567 5.043 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cccc(CO)c2)ccc1Cl 900347880 GHXSFAPVMBIUNJ-UHFFFAOYSA-N 491.396 5.119 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N(O)Cc3cccc4ccccc34)nc(O)c2c1C 901368008 PEESZINZMIUDPU-HNNXBMFYSA-N 453.589 5.207 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 914520971 RVGMYFZXWIKLKE-UHFFFAOYSA-N 488.540 5.420 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 914547688 ZQZQINLFSXSGAY-QHCPKHFHSA-N 495.551 5.272 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@@H](C)Cc1ccco1 914689962 FNXXGQVCNFMQDV-CYFREDJKSA-N 491.613 5.497 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694315 HGQKOPGEHZPVIW-QRQCRPRQSA-N 499.539 5.158 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 915085877 GDYKYNHDZCRTNX-XMMPIXPASA-N 476.561 5.419 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC 915106914 IVDQSMRVLMCIGB-CQSZACIVSA-N 492.320 5.410 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c(F)c1 915352295 JNWVEDBDVOFVOU-DEOSSOPVSA-N 456.521 5.038 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 915567567 RBGKKUDMWXCPNQ-QFIPXVFZSA-N 457.505 5.352 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccc(F)cc2)c1 916206337 QGNPGWPNXCYXIP-HSZRJFAPSA-N 495.551 5.176 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2ccccn2)c1 916207623 HNJJJZUIXJYOBI-FQEVSTJZSA-N 499.423 5.857 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1ccc(F)cc1F 916211692 OKHSNQQHRLITMM-OAQYLSRUSA-N 469.488 5.264 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccccc2)C1=O 916215006 CIWPVKGQNASIMB-QHCPKHFHSA-N 459.571 5.164 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1cccs1 916277286 BYQZUVMBTWBRPC-UHFFFAOYSA-N 458.572 5.039 30 20 JKED Cc1cc(Br)ccc1SCC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847263 NYVCCOPBINQWLI-CQSZACIVSA-N 488.432 5.315 30 20 JKED Cc1ccc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(Br)c1 916888359 WIBDWCONMHEQTH-VCELZJIISA-N 465.319 5.433 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 916888831 ZWBRZFIXMMCDFI-SFHVURJKSA-N 497.571 5.648 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 916899292 JCMDQBQFWUVUOL-YPMHNXCESA-N 455.725 5.079 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916907508 INVUEEDZAQAFIJ-XMMPIXPASA-N 493.494 5.831 30 20 JKED CC(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c2cnn(C(C)C)c2n1 916944504 GMKQOIOSQALGFR-KRWDZBQOSA-N 458.349 5.404 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975952 GWYKRCBXFLNJHZ-GOSISDBHSA-N 451.935 5.379 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2ccc(C)cc2)N=C1C 917611924 OZPSAMXVKIWZFW-UHFFFAOYSA-O 490.693 6.847 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 917673352 BPYOFFNBJKDASQ-QFIPXVFZSA-N 474.542 5.064 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(C)c(F)c2)n1 917689270 LJXHJBBUPXCFPQ-OAQYLSRUSA-N 497.983 5.046 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1 917713064 KVNXNDLTGQSDLO-HSZRJFAPSA-N 494.567 5.644 30 20 JKED COc1cc(-c2noc(CCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)n2)cc(Cl)c1OC 918141279 MREDKXPBIZXZIR-UHFFFAOYSA-N 489.915 5.484 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 918627408 QYDHFXLWZPVRTK-HSZRJFAPSA-N 464.443 5.217 30 20 JKED CCCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H](C)c1cc2ccccc2o1 919775128 XEELCQNOFMLODX-XQJGLGPESA-N 482.606 5.251 30 20 JKED N#CCOc1ccccc1C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 919873344 OVXOPGNHOCHCAB-UHFFFAOYSA-N 454.408 5.504 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-])c1ccccn1 920111321 MAVPOJHFTRRCIL-ACJLOTCBSA-N 498.326 5.431 30 20 JKED COc1ccc(Nc2nc(Cl)c(C=NNc3ccccc3S(=O)(=O)NC(C)(C)C)s2)cc1 920376640 MPIDBABYTLNRBR-UHFFFAOYSA-N 494.042 5.072 30 20 JKED N#C[C@@H](C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1nc(-c2c(F)cccc2F)cs1 920804242 MUNSZCQFHOOCJJ-AWEZNQCLSA-N 496.564 5.005 30 20 JKED COc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CCOCC2)cc1 920805419 IFDNWHCONJHFOQ-KRWDZBQOSA-N 454.498 5.022 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc(-c2c(F)cccc2F)cs1 920806912 SODCQDKKLBDWEI-AUSIDOKSSA-N 486.499 6.033 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 920871759 XRSMBMPGTRCVOD-HXOBKFHXSA-N 467.635 5.163 30 20 JKED CCOC(=O)c1c(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)sc(C)c1-c1ccc(C)cc1 921240138 WQQPTUBGVSWESI-UHFFFAOYSA-N 477.586 5.369 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)cc1 1785796211 ULGFYBMOSMANSK-UHFFFAOYSA-N 492.501 5.353 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CCC2)cc1 1785935046 KDRMDDXROMTYAE-UHFFFAOYSA-N 468.479 5.484 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC(C)C)cc2)CCC1 1787663414 CVEFXWCWVSMHQA-OAQYLSRUSA-N 457.615 5.026 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)COc4ccc(Cl)c(Cl)c4)cc3)CCC2)c1 1787725732 AFBZMUZCQXTOOO-UHFFFAOYSA-N 483.355 5.020 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-n4cnnc4)cc3)cc2)CCC1 1787947113 CUGHNUKBRKWUTE-UHFFFAOYSA-N 499.691 5.066 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](S)C(C)C)CCC4)cc3)no2)cc1 1788681720 CETJQMFSCDVSTH-QHCPKHFHSA-N 479.602 5.052 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982573 WLRKPLHJWGIISC-STBIYBPSSA-N 477.996 5.041 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)c(F)c1 1789187209 TZQVUDKMABSZQQ-UHFFFAOYSA-N 485.559 5.015 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cc[nH]c5c4)CCC3)cc2)c1 1790073233 TYPAVDAPOSBEKP-UHFFFAOYSA-N 464.525 5.110 30 20 JKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)c2s1 1790257175 LNRZJOHQCPKUCR-UHFFFAOYSA-N 466.566 5.538 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)cc2c1 1790257266 QCWOIUUIQQCIED-UHFFFAOYSA-N 465.509 5.375 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C)c3)cc2)CCC1 1790346880 BFRVHINEELFDSM-KRWDZBQOSA-N 486.410 5.306 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)CCC2)cc1 1790563181 AZLJHHUNMRTHCW-INMULRNOSA-N 487.522 5.654 30 20 JKED CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(C2(NC(=O)C(C)(C)C#N)CCC2)cc1)C1CCCC1 1791033800 WVQQXJVFOQBNRD-JOCHJYFZSA-N 496.652 5.144 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(Cl)cc3)CCC2)cc1 1791585824 NHKJOBDTKUDEDM-HSZRJFAPSA-N 498.023 5.616 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccnc3C)CCC2)cc1)c1ccc(O)cc1 1791646265 HVXITEKFBXZABQ-JOCHJYFZSA-N 467.569 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CN(Cc3ccco3)C(=O)OCC)cc2)CCC1 1791773406 QSVBNCCPMJYSCU-UHFFFAOYSA-N 495.620 5.365 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C2 1792573281 HSOMYMIFDAXMOH-BXXSPATCSA-N 489.701 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1793052186 AOWQJPBDUBINRD-KOUNCHBCSA-N 452.982 5.620 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1)C2 1793052721 OHSXYRIAJCIFOK-QEIWAGNOSA-N 495.664 5.074 30 20 JKED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1-c1ccc2ccccc2c1 1796048082 HSXHUOLRKFVWEQ-UFOJEMMLSA-N 497.639 5.097 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2 1798593364 ISJWWEPZVJGQDM-WKCHPHFGSA-N 459.590 5.672 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)cc1 1799145797 GPSJTHIHVGACJA-KOUNCHBCSA-N 480.593 5.334 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)c(F)c4)C3)CC2)c1 1805221930 MAVLEQIIJIPFII-LJQANCHMSA-N 481.999 5.194 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CC2)C1 1806065233 CRPZFHXDOYUHHK-GCJKJVERSA-N 484.628 5.081 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1806454158 OLFVDZNYLLMGSL-ALMBTRMVSA-N 494.639 5.297 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(s2)CCC3)[C@H]1c1cccnc1 1810273470 DNNMDPMQBSIKRA-GJZUVCINSA-N 493.749 5.003 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Oc4ccccc4)cc3)[C@H]2c2cccnc2)C1 1810717826 UDDNAYSIKYBSMO-WNCULLNHSA-N 467.569 5.160 30 20 JKED Cc1ccc(-c2ccccc2C(=O)NC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)[C@H]2c2cccnc2)cc1 1811530748 IGXXUKANXXHZRF-YGPDHOBYSA-N 487.669 5.331 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1812669801 BFMDYOLGSCYYIN-AZGAKELHSA-N 483.603 5.274 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)COc3c(Cl)cc(Cl)cc3Cl)[nH]n2)C1 1814391948 KOYNFZCLHJBTFV-GOSISDBHSA-N 497.810 5.407 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cnc3ccccc3c2)n[nH]1 1814728302 OQSFDONHPHNTMV-WIOPSUGQSA-N 471.605 5.351 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1815095837 JUIZRTJRWKABKQ-IIBYNOLFSA-N 494.020 5.421 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CSC3CCCC3)n[nH]2)cc1C#N 1815186923 RWADLHHXUWKYMC-QFIPXVFZSA-N 495.649 5.050 30 20 JKED CO[C@@](C)(C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](S)C(C)C)n[nH]1)c1cccc2ccccc12 1815246008 FFRIDZPGKCDUSN-WFIHMLKPSA-N 494.661 5.071 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c(O)n1 1816241333 CYKUAMQHGOVWFM-DEOSSOPVSA-N 485.588 5.126 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CSc3ccccc3)n[nH]2)c1Cl 1816951739 SWMUXPAICGLCQQ-FQEVSTJZSA-N 479.993 5.033 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)[nH]n1 1819305693 NSNNQPPHADRJAF-GHTZIAJQSA-N 476.606 5.003 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)[nH]n2)c(Cl)c1 1821277744 HOCOXEROGKNNDY-NRFANRHFSA-N 472.936 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)c(C(=O)O)c(C)c2)n[nH]1 1821370563 FBDPODZSAXESNQ-FQEVSTJZSA-N 466.582 5.023 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1821987644 KFYCLLVKSBWFJF-MRXNPFEDSA-N 474.405 5.085 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)[nH]n1 1822400358 HJCPTSVSTSPBKS-UWJYYQICSA-N 481.597 5.129 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)[nH]n1)c1ccc(O)cc1 1822468460 SZZVTFGCQFQKMX-KJXAQDMKSA-N 498.574 5.130 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)nc3)[nH]n2)c1 1823210625 DZOXNFYKDMQPCX-MGPUTAFESA-N 496.493 5.070 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823213112 RFKCIFVJUMYOQW-GAJHUEQPSA-N 459.525 5.104 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823313319 ZATNILVLABSUDF-SUMWQHHRSA-N 479.806 5.344 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 1823684445 XJVPCJSJWXIYSN-UPRLRBBYSA-N 487.619 5.053 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(Br)c(F)c3)CC2)C1 1823703386 XGBCDQAWUAALIA-HSZRJFAPSA-N 491.445 5.107 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2Br)CC1 1823929864 LMSRKDRFORCEBV-JOCHJYFZSA-N 477.418 5.015 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccc(Cl)cc1 1823978256 YADCZABIUIYWRG-IQGLISFBSA-N 481.999 5.388 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1824002866 NOOHKSROPOBWCB-HXUWFJFHSA-N 485.839 5.059 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826438465 AYCQLJMLSYZEMB-HTAPYJJXSA-N 467.437 5.204 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CC1 1826683847 NSKOWBPUJOAPCN-VWLOTQADSA-N 459.565 5.030 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827332762 BONVIDDMCHIJSG-DEOSSOPVSA-N 481.587 5.502 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1827357342 YYKPIKXWIFTYCX-DEOSSOPVSA-N 499.627 5.179 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2Br)CC1 1827767147 IGGHPPVRQZZEND-IBGZPJMESA-N 465.432 5.268 30 20 JKED CC(C)(C)c1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cn1 1827988805 CMBOHILLCKMMEI-XMMPIXPASA-N 496.772 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1 1828826744 LFVSXXTYVUWBIB-UNMCSNQZSA-N 463.544 5.102 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 1829068519 AUXIZXSQSXLRHF-QHCPKHFHSA-N 470.654 5.238 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829573719 SSFJNQAIWLPINX-JOCHJYFZSA-N 495.570 5.668 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1 1830099164 WCQQIXSOJXFBKI-NDEPHWFRSA-N 487.644 5.213 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)oc2ccccc12 1830360959 VALZLJUZHQLLSU-RUZDIDTESA-N 487.575 5.228 30 20 JKED O=C(C1=CCCS1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601889 LCRBRSOUKDKJKW-MHZLTWQESA-N 484.665 5.341 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)cc1 1830632160 BDKKTPBHPGCZMW-XMMPIXPASA-N 467.972 5.092 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4sccc4c3O)CC2)cc1 1830632200 DICRAUKBWLARQP-XMMPIXPASA-N 487.625 5.220 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830995222 JTKWNQVOGPUYIE-GBXCKJPGSA-N 468.041 5.823 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cnccc4c3)CC2)c1 1832631879 IPOYMEDCZWGBTG-LYZGTLIUSA-N 480.612 5.409 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1832632416 PLRICFCGTVDAPK-XHCCPWGMSA-N 486.591 5.481 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1832632457 REGJRXXHVLVPLU-HOFKKMOUSA-N 491.752 5.598 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c1 1832635641 NFHHFLLVXZPYQD-GKUMTSALSA-N 461.650 5.517 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(CCCCC)cc3)CC2)CC1 1836664074 PYELSSIYVPAGAB-WUKNDPDISA-N 492.704 5.625 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)CC1 1836742885 PZEZQNFTEBGENE-PKTZIBPZSA-N 488.619 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3C)CC2)CC1 1838375930 XBNHKSFONYRYIT-QFIPXVFZSA-N 492.582 5.394 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)nc2cc(Cl)ccc2c1=O 9085541 KAFTWYLGCPBZSZ-GFCCVEGCSA-N 464.374 5.017 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10170951 JDPCYKBILJESQS-UHFFFAOYSA-O 488.032 7.033 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C 10779994 NTRWAJNKFUHITP-SFHVURJKSA-N 463.559 5.135 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)cc12 21458336 CRUYTHRWSYVAIB-AWEZNQCLSA-N 464.934 5.105 30 20 JKED CCCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nc2sc(C)c(C)c2c1=O 21658226 ANGPAECWAPZZDO-SFHVURJKSA-N 498.674 5.311 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nc2cc(Cl)ccc2c1=O 21831869 KRCBBGYILNYNQQ-CABCVRRESA-N 467.978 5.340 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)nnc1-c1ccc(Cl)cc1Cl 22183476 JSVYKILKBXRELE-TZMCWYRMSA-N 493.382 5.767 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)NCCc1ccc(OC)cc1 22802015 WZDXUYLQEKRITF-UHFFFAOYSA-O 475.678 5.614 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(Nc2cccc(C)c2)s1 23356623 UTAKDCACHDNGOY-INIZCTEOSA-N 453.593 5.026 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1[C@H]1COc2ccccc2O1 23517664 SIJWCVLPAOGWTQ-OXJNMPFZSA-N 485.009 5.366 30 20 JKED CC(C)c1ccc(CSc2nnc(SCCC(=O)Nc3cccc(C#N)c3)s2)cc1 26407487 WNUGIKFBSPPNEZ-UHFFFAOYSA-N 454.646 5.946 30 20 JKED C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccccc1 33474963 KUIVJUXUIOSVKO-IBGZPJMESA-N 457.559 5.014 30 20 JKED COc1cc(/C=C\C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)ccc1OCc1c(C)noc1C 209937705 RMILXIHEFIWGHC-CIGMURNLSA-N 486.355 5.580 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccccc1F 216817066 WKXYNOJIRGSUTJ-QHCPKHFHSA-N 474.561 5.751 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 302955236 FJKDCQKRWGAXGT-UHFFFAOYSA-N 450.517 5.307 30 20 JKED CCN(Cc1c(F)cccc1F)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 409750844 KJQGXKRNTFYKLD-UHFFFAOYSA-N 494.798 5.818 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 409796699 SRRFEMKXRFOJFB-UHFFFAOYSA-N 466.744 5.027 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 482261953 WNWFICRKAIJBPJ-HXUWFJFHSA-N 472.564 5.878 30 20 JKED CC(C)C(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487354652 NNHIPXYPLFGPLY-UHFFFAOYSA-N 472.492 5.471 30 20 JKED CC(C)(C)c1noc(CCCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)n1 487386511 IAOWTLAZLBBFRO-UHFFFAOYSA-N 477.512 5.266 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1C#N 489623649 QSEKWBGITZCMIK-UHFFFAOYSA-N 456.571 5.010 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1 493138440 MOKGTSUPFSEJRR-UHFFFAOYSA-N 452.601 5.316 30 20 JKED C=CCN(C(=O)c1sc2cccc(F)c2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 499243507 NZOPOUGASYSHFG-UHFFFAOYSA-N 486.615 5.709 30 20 JKED CCN(C[C@H](C)C#N)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 505021872 YFJXLYNBSOKHKM-QRQCRPRQSA-N 486.403 5.216 30 20 JKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1OC 505499700 FAHYKMYOGUWTMX-LVZFUZTISA-N 455.558 5.553 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(=O)NCCCCC#N)c1 510049109 KMOPPFYNTWDDST-UHFFFAOYSA-N 495.070 5.337 30 20 JKED C[C@H]1CCCCN1Cc1ccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510251364 FBPAKAPNKJISPD-SFHVURJKSA-N 492.674 5.398 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCSCc2ccccc2C#N)cc1 511344052 WALCOKVUDLUAMY-UHFFFAOYSA-N 456.571 5.258 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N2CCCC2)cc1 511421277 KJORXIKNGSKIIL-NDEPHWFRSA-N 484.600 5.299 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 512563381 DIODUMJXGLSRMU-KRWDZBQOSA-N 460.361 5.143 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 516522751 ANFRJMAROVPJKP-UHFFFAOYSA-N 455.389 5.559 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSCc2ccccc2)n1 516795666 SVHNETJTGJQADB-GOSISDBHSA-N 476.579 5.989 30 20 JKED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)Nc1ccccc1 517149656 ZCUCJCMTVYJBTN-ILBGXUMGSA-N 474.992 5.187 30 20 JKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3SC[C@H](C)C#N)[C@H](c3ccco3)C2)cc1 517455637 WUCDZJNVQWPNGF-XXBNENTESA-N 458.587 5.630 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc(-c3ccccc3)nc21 518143222 FBEKUJBOULCNMM-GOSISDBHSA-N 455.587 6.183 30 20 JKED CC(C)(C)c1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n(-c2ncccn2)n1 518195187 HZUSJQGIKYRRTB-UHFFFAOYSA-N 456.481 5.015 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)Nc4ccccc4F)c3)cc2)c1 518234951 JGXHFVGTCGEOKY-UHFFFAOYSA-N 487.512 5.543 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1Oc1ccc(F)cc1 518259934 UGFIZXPZDGVMSS-GOSISDBHSA-N 477.561 5.576 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1 518697162 HHUHWYDATWMZNF-UHFFFAOYSA-N 454.574 5.612 30 20 JKED N#C[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1cccc(Cl)c1Cl 519485077 CPZQEMBNRBHJFP-LEWJYISDSA-N 486.786 5.889 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 520429298 JQXUIJIGLZBPKG-INIZCTEOSA-N 491.567 6.264 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 520944117 UDBFMMYVXCJVJR-GHTZIAJQSA-N 451.592 5.018 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c1 521200357 FQLQWTSORJTWPH-OAQYLSRUSA-N 477.973 5.196 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccccc4C)c4c3CCC4)n2)cc1 521325669 XVDUUZIKFXAQLV-FQEVSTJZSA-N 454.555 5.292 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2sc3c(c2c1=O)CCC3 521720912 XUUNWHNCYMLOKV-HNNXBMFYSA-N 496.683 5.115 30 20 JKED C=CCN(C(=O)Nc1ccc(Br)cc1C(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 521810676 YUAZZCKJRQEHGW-ZDUSSCGKSA-N 495.303 5.225 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 521812375 RLCXWBOUEDROFF-HOCLYGCPSA-N 454.596 6.535 30 20 JKED COc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1OCc1cn2ccccc2n1 524383284 XDWLPZPQZNDNNQ-UHFFFAOYSA-N 494.507 5.218 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(I)cc3Cl)o2)cc1 524384143 OGMZPYQFXIDDNX-UHFFFAOYSA-N 478.673 5.241 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 524422716 BGUNMUHBBHKVGB-UHFFFAOYSA-N 499.542 5.115 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CC(=O)Nc1cccc(C)c1C 524438833 XBDJZHHKHSSCNO-UHFFFAOYSA-N 456.546 5.165 30 20 JKED COC(=O)CSCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1sccc1C)CC2(C)C 555430431 AEJHQNXKAGSGST-WAYWQWQTSA-N 472.657 5.613 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccccc1OC 589941777 XGAQVZBRSSPHNK-HNNXBMFYSA-N 481.647 5.152 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)o2)cc1 590388696 OBAMRWKJYHTIKE-KRWDZBQOSA-N 467.428 5.849 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)n1 603502150 LVKIUNYGSWABDF-NRFANRHFSA-N 467.516 5.547 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 603520562 AJXCEYUHNFSXRX-UHFFFAOYSA-N 464.949 5.088 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 603587609 HCCWSJWGRXVZDM-UHFFFAOYSA-N 495.461 5.436 30 20 JKED COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604047322 OKEYCYGONOMABI-HNNXBMFYSA-N 478.936 5.410 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)c2)c1 604468230 JPOLAAXAUSDEDW-IBGZPJMESA-N 473.964 5.112 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 608918805 XMLYJUULHGMJOG-VWLOTQADSA-N 455.537 5.409 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609020843 TWHXGMBFLVCPHT-UHFFFAOYSA-N 452.489 5.606 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 609060706 BIQYEXYICBTEOZ-UHFFFAOYSA-N 481.596 5.256 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 609080523 ZXJJQRQKASCYLK-VWLOTQADSA-N 496.394 6.358 30 20 JKED Cc1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nn1-c1c(Cl)cccc1Cl 609116229 IQAWTLFLYGFEHF-UHFFFAOYSA-N 465.300 5.194 30 20 JKED CC(C)(CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 609403511 BJKMGHGIXWTAHZ-UHFFFAOYSA-N 463.525 5.134 30 20 JKED CCC(CC)(CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 609406480 QGTZBWLVAYLKBK-KRWDZBQOSA-N 458.027 5.404 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nc2cc(Cl)ccc2c1=O 637777152 MCLGOCPYBABWPU-NRFANRHFSA-N 469.994 5.194 30 20 JKED C=CCn1c(Sc2nc(C)nc3sc(C)c(C)c23)nnc1[C@@H]1COc2ccccc2O1 669672290 IGNJJJVTDSWFQK-KRWDZBQOSA-N 451.577 5.058 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C#N)cc2)c1 726413860 VFCCMMSKSCJVDP-AREMUKBSSA-N 492.604 5.317 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1Cc1ccsc1)c1cccs1 726416141 NHXTXQUXXVCPPT-TZTREGAWSA-N 498.699 5.466 30 20 JKED CC(C)Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)n2ccc(=[N+](C)C)cc2)cc1 726570622 HJLIENXWFQNISZ-UHFFFAOYSA-O 492.068 5.567 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCc2csc(COc3ccc(F)cc3)n2)c1 726691338 CCPQXKHNSSYBNL-UHFFFAOYSA-N 464.474 5.262 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2cccc([N+](=O)[O-])c2C)cs1 727973557 QRWXHWKIYOPMGM-UHFFFAOYSA-N 463.441 5.509 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 728081416 AYDGVYNCRUJYIZ-UHFFFAOYSA-N 475.548 5.481 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1 728424137 UZCWXYNKENGIIQ-RUZDIDTESA-N 498.608 5.255 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CCCCC#N 728775885 DXTWROXSKGZDRM-HXUWFJFHSA-N 472.973 5.442 30 20 JKED COc1ccc(-n2c(-c3ccccc3)nn(CN(CCC#N)CC3CC3)c2=S)cc1Cl 728904685 SPRJAWHHBUVMMH-UHFFFAOYSA-N 453.999 5.315 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2sc3cc(C)ccc3c2Cl)n1 729517993 DWNXMOCIDFTFEF-UHFFFAOYSA-N 462.025 5.229 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2ncccc2C)C1=O 729634994 YYMPMEKKWBNEAZ-QHCPKHFHSA-N 492.576 5.007 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)N[C@@H]2CCCC[C@H]2C)cc1 729670304 NVIAJPGKPIYXFD-DYESRHJHSA-O 471.643 5.364 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1F 730456137 PMEARQCQWBBRAH-UHFFFAOYSA-N 452.511 5.344 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C2CCC2)C1=O 730458959 DCNXZLHYOHUWOS-QFIPXVFZSA-N 451.592 5.297 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1)c1cccs1 730463399 WXLUWEVMDWZTSO-CSPBAXASSA-N 481.565 5.709 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c1 730531041 NYENJAYXCHNZMY-HSZRJFAPSA-N 494.567 5.125 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730993527 ANQKXAMBXKNGJS-UHFFFAOYSA-N 479.524 5.988 30 20 JKED CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)cc1 730993878 FEXQZLBXKIDNNZ-HNNXBMFYSA-N 477.508 5.101 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 730996704 YSHJFKWCRIUPJO-RHTHQAGFSA-N 472.599 5.290 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 731067584 ASTQBEMGPPWEKE-OAHLLOKOSA-N 464.568 5.355 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2c(F)cccc2F)C1=O)Nc1cccc(O)c1 731306046 JRZAZZITISZVLS-QFIPXVFZSA-N 499.514 5.013 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731306610 WJYIJMOTXBXDHC-NRFANRHFSA-N 465.962 5.206 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cc(Cl)cc(Cl)c1 731308696 MEINQRNQGBAKCQ-BFUOFWGJSA-N 496.416 5.084 30 20 JKED COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N 731340418 NUHFZNZMKHYLJO-NSHDSACASA-N 475.817 5.306 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 744812667 PYEWKMRRDZDPRH-VWLOTQADSA-N 485.559 5.301 30 20 JKED COc1ccc(CN2CCC(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 745268146 QAIOHULHUSZZDN-MUUNZHRXSA-N 468.601 5.384 30 20 JKED C=CCN(C(=O)COC(=O)c1csc(C2CC2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747506719 JHVFTULWABPUQL-UHFFFAOYSA-N 494.425 5.827 30 20 JKED CN(Cc1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 749332314 JNVQIWPOTQWIQN-UHFFFAOYSA-N 467.573 5.077 30 20 JKED O=C(COC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 756282443 QKTRFXMCNHTOLG-FPLPWBNLSA-N 494.775 5.211 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CC(F)(F)F)C2=O)cc1Cl 799211168 JEZYBWIFQVIDIH-INIZCTEOSA-N 489.878 5.010 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837455140 IKJKDVQHKAHLSK-CYFREDJKSA-N 488.613 5.429 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@H](C)c2cccnc2)C1=O 837881017 ATAZRGXUEXETAW-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1F 838228804 AEFIKDPJTGTGKK-HTAPYJJXSA-N 462.550 5.251 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)nnc1-c1ccco1 904487441 HNNHYVVLCLKNOS-UHFFFAOYSA-N 496.556 5.190 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)Cc2ccco2)c1 914690607 AGXHYRINGXVQDD-QRQCRPRQSA-N 499.539 5.158 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)c1C 915086084 RENSVLONZXQVBT-RUZDIDTESA-N 464.525 5.265 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@@H](C#N)c1nc(C)cs1)c(C)n2C(=O)c1ccc(Cl)cc1 915100076 CSKUHQKQKRBCPR-OAQYLSRUSA-N 477.973 5.484 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccccc2SCc2ccccc2)CC1 915330135 PBSMMKVBEPCEHP-UHFFFAOYSA-N 485.569 5.453 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccc(Cl)c2)ccc1OCCn1c([N+](=O)[O-])cnc1C 916137617 XNFPHLOKUXAOFK-CLFYSBASSA-N 455.898 5.127 30 20 JKED CCOc1c(Br)cc(Br)cc1/C=C\C(=O)c1ccc(OCC#N)cc1 916151874 GGMTXKWQRFBEOB-YVMONPNESA-N 465.141 5.409 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1cccc(OC)c1 916207130 VMMLIYAQLKHIHB-FQEVSTJZSA-N 475.998 5.036 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1F 916209863 STDAVMGYSLBFLA-HXUWFJFHSA-N 486.931 5.174 30 20 JKED Sc1nnc(-c2ccccc2Br)n1N=Cc1ccc(-c2nc3ccccc3s2)o1 916346340 WLKUNLJTJIWHJX-UHFFFAOYSA-N 482.388 5.748 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 916883546 MBVHIVMBGFMIQP-LJQANCHMSA-N 497.780 5.128 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)c1 916918847 SKUNRVWXYQOQPM-XMMPIXPASA-N 498.560 5.186 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C)n(C3CCCCC3)c2C)cc1Cl 916938480 MSISJPKDAHOKAH-FKVRIVCVSA-N 453.970 5.633 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nnc(C)n3-c3cc(C)ccc3C)n2)cc1 916974765 PLXLAEGHMKBDSW-FQEVSTJZSA-N 473.627 5.593 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O[C@@H](C)C2 917042367 FASNWDSJXPJHGE-UNLYUMJVSA-N 472.488 5.927 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)cc1C 917660959 SJADMFJRZFIACQ-TZRRMPRUSA-N 494.636 5.030 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 917668956 NIMVASXHHAVIBZ-DVECYGJZSA-N 487.629 5.178 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccsc3)C2=O)cc1 917697238 VDGRMUMFKZXKRA-NRFANRHFSA-N 499.564 5.389 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(F)cc2C(F)(F)F)C1=O 917701896 QYYROIHTDKTXGZ-FQEVSTJZSA-N 489.494 5.266 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)cc1 918711793 AMBAVAHNYQEDKI-FMIVXFBMSA-N 455.967 5.802 30 20 JKED CCOc1cc(/C=C2/COc3c(F)cc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1 920067001 ZTHXAEADEUQYQB-YVLHZVERSA-N 465.452 5.040 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 920109434 FZGHOAODPXJJHB-IIBYNOLFSA-N 489.984 6.117 30 20 JKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1 920109982 LRKVOIFFLYUUJG-AWEZNQCLSA-N 455.736 5.071 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1F 920173384 RAAXEITYYPZYRP-QHCPKHFHSA-N 492.551 5.009 30 20 JKED COc1ccc(-c2csc3ncnc(NN=Cc4cn(C)nc4-c4ccc([N+](=O)[O-])cc4)c23)cc1 920367139 GXZKHZWBGUXMFH-UHFFFAOYSA-N 485.529 5.122 30 20 JKED C=CCOc1ccccc1/C=C1/SC(=S)N(C2CCN(Cc3ccccc3)CC2)C1=O 920472359 LTJANZRGTHQPSF-HAVVHWLPSA-N 450.629 5.117 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(Cc4ccc(F)cc4)n3)n2)cc1 920878218 WDVGQLYLPXDXOE-FQEVSTJZSA-N 463.559 5.424 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Br)c3c(c2)OCCO3)cc1 921114059 QDHNEGMEBDGMIY-HXUWFJFHSA-N 478.346 5.197 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c1 921254555 QBGQHGCNFKSQEZ-PXNSSMCTSA-N 493.551 5.231 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2ccc(Br)cc2)c1 1459958079 KRVALUSRSXDEEY-UHFFFAOYSA-N 450.336 5.277 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)[C@H]4CCC(F)(F)C4)cc3)CCC2)c1 1785799713 GDUNXNJQVJOAFU-FQEVSTJZSA-N 451.517 5.060 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCC2)cc1 1786374173 IURKOUJWTWQZIP-OAHLLOKOSA-N 464.459 5.183 30 20 JKED CN(Cc1ccccc1)[C@H](C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1ccccc1 1787888825 DAOHRDIZFRZRBA-NDEPHWFRSA-N 480.612 5.298 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cc2)CCC1 1788394704 NIPWBCDOMOQPKW-KRWDZBQOSA-N 470.598 5.296 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)c[nH]4)cc3)CCC2)cc1 1788718990 NGUXXFAXQPHSLF-UHFFFAOYSA-N 480.490 5.286 30 20 JKED COc1cscc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1788828898 JFQYDHAXMKVFCZ-UHFFFAOYSA-N 489.597 5.477 30 20 JKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)ccc2s1 1789048064 JTNNDXSTFMCHLZ-JFLMPSFJSA-N 472.570 5.065 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1 1789315345 QKEWSKRPLRHHKV-UHFFFAOYSA-N 468.944 5.016 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)cc2)CCC1 1789990926 ZIWTUAJQCMVNFU-FQEVSTJZSA-N 492.579 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[C@H]2C1 1790456905 WAGQXIGDVWCEHW-WOVHNISZSA-N 489.616 5.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c(O)cc4O)cc3)CCC2)c1 1790597620 LKRMQXJIFBEQOK-MRXNPFEDSA-N 489.959 5.440 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)COCc4ccccc4)CCC3)cc2)c(Cl)c1 1790767266 SARWWZFEHDLZGR-UHFFFAOYSA-N 473.960 5.176 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Br)c3OC)CCC2)cc1 1791584036 KWVHAFMJGIMOEN-UHFFFAOYSA-N 469.379 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791712364 SRXIFGFSKMETHX-QPPBQGQZSA-N 495.664 5.536 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(=O)c5ccccc5o4)CCC3)cc2)c1 1792123393 YOGNHFQUHCYJAU-LJQANCHMSA-N 491.547 5.482 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3)cc2)CCC1 1792156116 PRVLMUYTGNUKPP-UHFFFAOYSA-N 495.579 5.174 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nc[nH]c45)CCC3)cc2)cc1C#N 1792168575 PNAUCDLELHFVRV-UHFFFAOYSA-N 493.567 5.283 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(Br)CC4)CCC3)cc2)cc1C#N 1792169105 SOUHZRPODFJVTF-UHFFFAOYSA-N 496.405 5.021 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2sccc2s1)c1ccc(O)cc1 1798034018 UNCANNVOGLLVNA-YSTOQKLRSA-N 478.639 5.117 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 1799397584 MDCOSUNZRAHZAP-NRSFXHEJSA-N 494.945 5.009 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCC(=O)OCc1ccccc1)C2 1801642515 ZIKHJKIJYBSSRI-MNPUUQGPSA-N 482.665 5.311 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)[C@@H]1c1cccnc1 1802503270 NCXYGCIPGMOZLI-PXDATVDWSA-N 458.606 5.183 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1802995716 UPWCRDKETLYARO-AZQAYAFVSA-N 491.701 5.453 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1803092007 IANXOVWMJIONAI-SQHAQQRYSA-N 491.607 5.098 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1803524145 QOEFWSFIQGWGRY-NUNAXRQHSA-N 498.545 5.943 30 20 JKED Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc(C#N)c2)C3)c2ccccc12 1804609258 VIKKHYUNELONRQ-LGKQTMLJSA-N 479.624 5.224 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cccc(Cc4ccc(F)cc4)c3)CC2)C1 1806016331 YGWOLVUPGXXTMK-UHFFFAOYSA-N 492.635 5.244 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(N)c(Br)cc3C)C2)CC1 1809629922 KFRSKHUTNGWEFS-UHFFFAOYSA-N 490.486 5.177 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1810177880 IHDSQIGHLBAEHS-ROKPMTFOSA-N 486.443 5.785 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1810501843 DALAKTLYCSRELA-TWVZQSRDSA-N 453.671 5.542 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1810505499 WLQTUTQYCFNNQL-SIKLNZKXSA-N 474.432 5.700 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1811106302 ZFMPGHQCAZVKSA-QKLQHJQFSA-N 478.445 5.538 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CC[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)cc1 1811361774 NGFMWHBTFTYFFY-NDJTWEQLSA-N 496.636 5.082 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811419541 IBKAVBPQRBFPLV-XZOYJPPVSA-N 467.013 5.143 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811539874 UVBCBRKLZSMWGY-ATILKMQGSA-N 498.627 5.178 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1813960148 CUUFRYLEFCQZLX-JYFHCDHNSA-N 488.632 5.052 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1813968523 UBVALJBHRMUIHV-XXBNENTESA-N 489.513 5.328 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814738512 KBIIXJXZNNCVMI-FQEVSTJZSA-N 499.493 5.140 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1815157596 WGJOXZCXTRNGSX-IUGKGNRASA-N 497.599 5.155 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1)c1ccc(O)cc1 1815558107 LZPKEHKHNANZMW-DBTWGZIYSA-N 488.563 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4c(s3)CCC4)n[nH]2)c1 1816617939 BMPPBJCPZBVUAC-IERDGZPVSA-N 473.602 5.207 30 20 JKED Cc1ccc2oc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)cc2n1 1817690154 JUJNPLSAGJVUNM-OAQYLSRUSA-N 491.668 5.216 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3ccccc3)n[nH]2)c1 1818228727 SPQKBNIPSXEBIN-DEOSSOPVSA-N 494.530 5.102 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)c1 1818595494 FVCUXROXDXXQST-FQEVSTJZSA-N 491.523 5.394 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)c2[nH]1 1818653312 IQMXYIFIASYUOF-XDHUDOTRSA-N 480.572 5.446 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn3c(Cl)cccc3n2)[nH]n1 1819554495 CTKFIJTXCWIOHI-SFHVURJKSA-N 468.989 5.009 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820080667 UDBHUTOWNWYFPV-DEOSSOPVSA-N 499.640 5.555 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820081158 WVFTYTNSFQLRGH-QHCPKHFHSA-N 480.572 5.185 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ncccc23)n[nH]1 1820121244 PWUUKMKPLIIUNU-CLOONOSVSA-N 494.599 5.538 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)c1 1820434530 GVBZFJXCDKNGAS-IBGZPJMESA-N 468.344 5.208 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3cccc(F)c3)[nH]n2)c1 1820484255 SPIHPOUWUUBLSA-DEOSSOPVSA-N 494.530 5.102 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4)n[nH]3)c[nH]c2c1 1820553353 FICVYCXVJGQOTM-DWOOMVRVSA-N 478.556 5.090 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c4ccccc4n4ccsc34)sc2C1 1821191150 KYJYBKGECNFLOX-CYBMUJFWSA-N 486.569 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)c(C(=O)O)c(C)c2)n[nH]1 1821370564 FBDPODZSAXESNQ-HXUWFJFHSA-N 466.582 5.023 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)[nH]n1 1821922072 YPTARUVDTPUAHM-VBKZILBWSA-N 484.398 5.172 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)CC1 1822103743 AKSWBVJOIYKMOC-YDHSSHFGSA-N 465.573 5.189 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)[nH]n1 1822394244 OFVQEKYYEJKCGT-OAQYLSRUSA-N 493.405 5.435 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1822584602 WZOVBBVUSUPSNZ-OAQYLSRUSA-N 485.510 5.409 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1823668566 AJNSGOMLVMXXCT-ZBLYBZFDSA-N 496.611 5.516 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](c3ccccc3)C(C)C)CC2)c1 1824242532 VPDJZFTYONIZID-WUFINQPMSA-N 487.644 5.240 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cc(Br)ccc3F)CC2)C1 1824480098 PPNSBECGOIVPHN-QHCPKHFHSA-N 491.445 5.107 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)cc1 1824879561 UMVOXEMMOUDNGQ-RUZDIDTESA-N 481.999 5.021 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1824952459 PFQRDHUJZXPPMU-KCWPFWIISA-N 487.644 5.243 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1824963064 XXQQQBXQCDMLKI-NRFANRHFSA-N 468.585 5.166 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3)CC2)cc1C#N 1826370769 USPXQIWUKPXNME-HHHXNRCGSA-N 487.644 5.212 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)CC1 1827339696 OWHVYGKKGRVAPD-XMMPIXPASA-N 462.638 5.058 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)oc2ccccc12 1828124527 DXZZRJGNASRBEV-AREMUKBSSA-N 483.612 5.479 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828553449 QVENOHCCLIGTGZ-PGRDOPGGSA-N 491.682 6.137 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc2c[nH]nc12 1828907158 WBWIWGLNADXRSF-VWLOTQADSA-N 492.740 5.156 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 1829068482 YUXTXZRFGNMAMZ-CLJLJLNGSA-N 466.666 5.303 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419055 LMPBPYHYOZLWEO-SIKLNZKXSA-N 451.636 5.256 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1829708013 QXKASVQCJBXBML-QHCPKHFHSA-N 467.009 5.149 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)CC2)CCC1 1829907170 KRSBFKVVIFMBLX-VWLOTQADSA-N 471.601 5.406 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274664 GNXAFWQCPXMVGB-BVAGGSTKSA-N 494.079 5.664 30 20 JKED COc1cc(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830462027 PWLGRCWICINHSY-VWLOTQADSA-N 480.008 5.076 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)c1 1830765606 ULBVZZUUCFIJAL-NLJOTIRTSA-N 491.582 5.182 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1830769822 WWUYYNKBXKOLKX-RCZVLFRGSA-N 475.555 5.018 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770894 KWFWDRDSKFJZAT-YNZBZNKJSA-N 459.590 5.105 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1)C(F)(F)F 1831453364 RBHHZRSMRLERST-XMMPIXPASA-N 486.534 5.831 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1832028364 RIDWBEBIMQKWMR-DEOSSOPVSA-N 482.024 5.422 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)CC1 1832564234 XOZAQBQUGCOFRG-SANMLTNESA-N 494.752 5.296 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Br)c3ccccc23)C1 1844007442 OWRYCWMWVZVEFL-GOSISDBHSA-N 467.407 5.188 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1844238684 RGADBMLNEGBFIZ-SANMLTNESA-N 484.596 5.022 30 20 JKED O=C(/C=C/C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(c2ccc(Cl)cc2)CC1)c1cccs1 1847621809 KEJRSKIDJQMHNT-KEMYDSBPSA-N 497.060 5.316 30 20 JKED C[C@@H](C#N)Sc1nnc(-c2ccccc2Br)n1-c1cccc(C(F)(F)F)c1 9250635 QXDOSVQLGNCTQU-NSHDSACASA-N 453.287 5.720 30 20 JKED Cc1ccccc1OCc1nnc(S[C@@H](C)C(=O)Nc2ccccc2C#N)n1-c1ccccc1 10349310 DYXCNKIBEJNOJX-IBGZPJMESA-N 469.570 5.146 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)nnc1-c1ccncc1 12055638 JAOVXEUUSLQTNV-UHFFFAOYSA-N 498.328 5.038 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 14088297 HKUHWWMWGZDZCX-UHFFFAOYSA-N 483.808 5.734 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)n2C)cc1 16668873 LHGUXYLMQPZRTK-UHFFFAOYSA-N 462.623 5.317 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 18494015 XILQBONCPXPGKL-UYRXBGFRSA-N 498.520 5.189 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)s3)o2)nc2cc(Cl)ccc2c1=O 18956576 IZNBQWRHZVKTCH-UHFFFAOYSA-N 495.811 5.402 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccccc1 21754746 JSOZIGQBKQSART-INIZCTEOSA-N 477.615 5.383 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 22123244 KTHJOYSPYBXZHO-IVCQMTBJSA-N 498.649 5.294 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(OC)cc1 22213471 AZSXTKSEMRYXSX-ZDUSSCGKSA-N 463.390 5.566 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(CO)c2)cc1 22693301 FMDPXVYGRPNSGN-UHFFFAOYSA-O 457.575 5.069 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccc(CC)cc2)cc1 22730154 SVZHSICZIRZKIX-UHFFFAOYSA-O 497.640 6.778 30 20 JKED C[C@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 23270841 HQLAHVQZUFNXSB-ZDUSSCGKSA-N 488.038 5.358 30 20 JKED Cc1nc(SCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C#N)c(C)c1C 23274575 YNRWBUCPJQDMCD-CYBMUJFWSA-N 485.915 5.213 30 20 JKED C[C@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 23510645 XAXWTIPFOQRDCB-SFHVURJKSA-N 489.551 5.640 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccc(OC)cc1 23554301 OQIUBLHFFDFYAY-IBGZPJMESA-N 477.634 5.249 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 23604263 YBVKCUUREROUQB-LJQANCHMSA-N 475.643 5.145 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 25049130 DZOLQLGGSPDROZ-QHCPKHFHSA-N 497.002 5.233 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 25841369 WISKNQLGRFGLFI-UHFFFAOYSA-N 492.004 5.772 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 27080044 BHNOBMCJYSCQQD-QGZVFWFLSA-N 485.009 5.064 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCOc3ccccc32)nc2scc(-c3ccccc3)c2c1=O 27117030 ROBPUORTYYUKSW-HXUWFJFHSA-N 489.622 5.043 30 20 JKED O=C(Nc1cccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1)c1ccc(F)cc1 31133744 IYMDMVLPEWQSPN-GJZGRUSLSA-N 476.392 5.717 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc(OC)c1OC 35132436 NWALRZNPOLTXJE-YVMONPNESA-N 488.290 5.539 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 107647283 DEYBPXSUFPATDA-XUZZJYLKSA-N 480.395 6.042 30 20 JKED N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 195687261 ANIAIAFJRNSNAK-IAPPQJPRSA-N 483.637 5.088 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 195720732 JHAPKKRYGYCNQF-LBPRGKRZSA-N 485.179 6.385 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 247972217 BCFULJSTCLXSAQ-QGDZQMKYSA-N 480.568 5.466 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OC(F)F)c1 255944695 RQQRXSIXIMXNHL-UHFFFAOYSA-N 492.931 5.575 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 302990576 GSOYIPKXQKCMRO-UHFFFAOYSA-N 471.557 5.699 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 303019515 QSYGXZJHQFSMRI-UHFFFAOYSA-N 460.555 5.253 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 303030654 XEIMYPQQZLFWRX-UHFFFAOYSA-N 453.546 5.589 30 20 JKED CC(C)(C)c1nc(CN2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)cs1 484683161 QVXQGAANGWUQEO-UHFFFAOYSA-N 460.603 5.063 30 20 JKED C=CCN(C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491073351 DEAHDTIOTBJZDB-SFHVURJKSA-N 498.670 5.498 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccc(Br)c2)nnc1-c1ccc(Cl)cc1 499308891 QKUBVBXMXWATHG-UHFFFAOYSA-N 491.842 5.298 30 20 JKED N#Cc1cn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c2ccc(Cl)cc2c1=O 502845485 VPHIJMZMUSHMBM-JOCHJYFZSA-N 491.334 5.151 30 20 JKED C=CCn1c(SCc2noc(C3CC3)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 505847874 IGTWJKXDKJNYNR-UHFFFAOYSA-N 454.552 5.311 30 20 JKED CCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)c1cc2ccccc2o1 507758294 MGRXYSGJPAIXEY-OAQYLSRUSA-N 467.569 7.083 30 20 JKED N#Cc1ccc(NC(=O)CCN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1Cl 507953688 ZXMDTVKBELQEBO-KRWDZBQOSA-N 470.360 5.123 30 20 JKED CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 509637400 GKKGHLXPHVGVRC-UHFFFAOYSA-N 499.596 5.903 30 20 JKED CCc1nc(CN2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cs1 510874942 RUCJEEWOVTVHDM-UHFFFAOYSA-N 461.591 5.028 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 511335665 VPRLASXUBSFZLV-UKILVPOCSA-N 473.960 5.306 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 513652918 CIECGGZYNQSSKV-NRFANRHFSA-N 495.560 6.091 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)c1nc2ccccc2s1 513672713 UEFPNABWIIGCMT-KRWDZBQOSA-N 477.471 5.782 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3c(s2)CCC3)nnc1-c1ccc(Cl)cc1Cl 515336936 SEMNUAQBHYIAPZ-UHFFFAOYSA-N 466.419 5.114 30 20 JKED CCOc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc(OCC)c1OCC 515676737 XXWDCAQFJKEWNY-UHFFFAOYSA-N 473.529 5.259 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)c1 516045194 UZCFHISLWOUPSF-HSZRJFAPSA-N 465.912 5.006 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3cccc(F)c3)C3CC3)cc2Cl)cc1 516430109 DIYOBJDVGGKQIS-UHFFFAOYSA-N 463.896 5.273 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)o1 516735676 RNVSEVPVIRSANF-UZUQRXQVSA-N 455.514 5.197 30 20 JKED COc1cc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)ccc1O 518227214 QESXZZIAMQCPNX-UHFFFAOYSA-N 457.530 5.242 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)c1ccccc1Br 518673278 WUAOGCGTIBDICV-SJORKVTESA-N 488.451 5.639 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3csc(Br)c3)cc2Cl)cc1 520144495 KELKRYCOQOLVSJ-UHFFFAOYSA-N 490.766 5.083 30 20 JKED C=CCN(C(=O)Nc1ccc(S[C@H](C)CC)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 520194834 HFGDIKYJERWQLD-RTBURBONSA-N 450.612 5.642 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 521122914 HNNBEZJESHTNQX-XMMPIXPASA-N 454.530 5.606 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 521719649 IWBJZOMHNDAHPH-LJQANCHMSA-N 497.649 6.188 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nc2scc(-c3cccs3)c2c1=O 521731711 APTGQWHSJUXJHA-HXUWFJFHSA-N 496.683 5.201 30 20 JKED Cc1csc(Sc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2[N+](=O)[O-])n1 521799616 CEPRJCCIHDGSKZ-AWEZNQCLSA-N 470.601 6.158 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1 523997348 SPWSEMSYLXPMCB-UHFFFAOYSA-N 491.547 5.504 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3cc(C#N)ccc3OC(F)F)oc3ccccc23)s1 524382262 TXGJANOFAMRPOM-UHFFFAOYSA-N 472.498 5.610 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(Cn2cccn2)c1 524442480 MVKURUKDPHLJLE-UHFFFAOYSA-N 451.530 5.012 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 524565128 IMAPZISDFUDHMN-ZWKOTPCHSA-N 476.577 6.212 30 20 JKED O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F 590792068 CLJUKTSOKPKLIL-MYJAWHEDSA-N 461.321 5.032 30 20 JKED C=CCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459275 ISZRDMMHDLHWAE-UHFFFAOYSA-N 459.531 5.354 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1Cl 603759146 VCEHNFDXIGKRGV-IBGZPJMESA-N 476.945 5.478 30 20 JKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1NC(=O)c1ccccc1 603992734 XDXKESDTZWGVRB-UHFFFAOYSA-N 463.562 6.198 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cc2ccccc2o1 604133505 MSLBQGQXEQXCHF-HRAATJIYSA-N 457.917 5.558 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1OC(F)F 604138368 LRQOCQISTXSWPY-CQSZACIVSA-N 485.874 5.421 30 20 JKED COc1ccc(CCCN(C)C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 604439695 HLKGPZUWCSCFQG-UHFFFAOYSA-N 473.598 5.002 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1)c1ccccc1 604534780 RJFTZCSAIVYPGS-RUZDIDTESA-N 483.572 5.052 30 20 JKED COc1ccc(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(C(F)(F)F)c1 608819191 OPNKVLAPXTZCRH-UHFFFAOYSA-N 456.468 5.038 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 608883365 PFDULGPSJXKMTK-UHFFFAOYSA-N 452.854 5.370 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cc1 608914956 ADQSPVCVXUAXCF-UHFFFAOYSA-N 456.546 5.652 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ncc(Cc4cccc(Cl)c4Cl)s3)CC2)nc1 608983405 OOCSOTXLZFCDOH-UHFFFAOYSA-N 487.416 5.098 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(N4CCCCC4)nc3)cc2Cl)c1 609079866 MLUSCFOBEHQUFY-UHFFFAOYSA-N 475.980 5.498 30 20 JKED CCn1c(SCC(=O)Nc2ccc(F)c(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 609103406 WNZOFAMDIOTIAG-UHFFFAOYSA-N 450.326 5.013 30 20 JKED COc1cc(C(=O)N(C)c2ccc(C#N)cc2F)ccc1OCc1ccc(Cl)cc1Cl 609216880 XBIGUUFYZVHPFH-UHFFFAOYSA-N 459.304 5.868 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(-c2cccc(Cl)c2)no1 609389044 WSFJTALWEORWJS-AWEZNQCLSA-N 458.996 5.514 30 20 JKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)CC3 609402710 LQCQMFDWBGGUQO-UHFFFAOYSA-N 486.519 5.024 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 609435372 KRGUOZQLAPLTPV-LJQANCHMSA-N 494.642 5.546 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1F 613390817 YHTVHKVFYPRAHX-ZWKOTPCHSA-N 460.578 5.781 30 20 JKED O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618537964 COCOETHOPWLINN-QWRGUYRKSA-N 473.389 5.607 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(SC)c2)nnc1-c1ccc(Br)cc1 619149412 YDUYELNTCFYHHS-CQSZACIVSA-N 489.464 5.735 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 619566551 RYRZNSIISNLFJH-UHFFFAOYSA-N 499.592 5.973 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1NC(=O)c1ccccc1F 620304555 MPNAIHDAOAJSPH-QGZVFWFLSA-N 491.494 6.278 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc3ncccc23)C(C)C)nnc1-c1ccccc1OC 639429446 MVNZFNKVIZKSDC-QHCPKHFHSA-N 473.602 5.443 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccoc1C 645079652 IPZMJJUIEBRQNI-SFHVURJKSA-N 450.564 5.456 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2cccc(NC(C)=O)c2)c1 725913474 IVDNUWXUNOTTOG-UHFFFAOYSA-N 498.988 5.037 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCc2ccc(Cl)cc2)cn1 726117060 QLJNXHKRNVCXDD-JOCHJYFZSA-N 496.036 5.150 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@@H](C)OC)cc1 726395164 XZMBVERXXAJPQL-XXBNENTESA-N 483.634 5.087 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2csc3ccccc23)cc1Cl 726404061 RCHJJUJDYDPVLI-OAQYLSRUSA-N 495.029 5.227 30 20 JKED CCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Cl)cc2Cl)cc1 726571580 JBQXLNKUHRUMHN-UHFFFAOYSA-O 473.405 5.350 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)NC)SC2=Nc2c(C(C)C)cccc2C(C)C)c1C 727251620 AFLFIANZJFHPNH-QFIPXVFZSA-N 483.682 5.034 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2Cl)cs1 727649476 KJNPOIZRYFXYRQ-UHFFFAOYSA-N 450.307 5.489 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2cccc3ccccc23)no1 728420977 LWBLGCIYPNBNIZ-DEOSSOPVSA-N 495.564 5.168 30 20 JKED CCOC(=O)C1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C\c2ccc(O[C@H](C)C#N)cc2)C1 728696886 HBDXJVRUWROOFC-YZRLNIIASA-N 484.552 5.278 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)c1 728780341 RATPWBNIFVUGCX-XMMPIXPASA-N 488.588 5.942 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2F)c(F)c1 729818392 RHTUGIMSELZOSQ-QFIPXVFZSA-N 494.498 5.136 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc3ccccc3n1C(F)F)O[C@@H](C)C2 730690435 SZLCUAFAHFFRQE-QXRTWZOPSA-N 451.473 5.133 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(CCCc2c[nH]c3ccccc23)C1=O)NC1CC1 730714980 ITPDZEINFKDWGF-JOCHJYFZSA-N 481.021 5.054 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 730943564 GGURCHKQSCHKIH-KKSFZXQISA-N 498.530 5.822 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 730953461 HEDUEMRHZLJEEY-CTNGQTDRSA-N 492.670 5.712 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1c(C)nn(-c2ccccc2)c1C 746485740 NUWOXMOSZYQIDB-UHFFFAOYSA-N 458.587 5.466 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3cc(Br)cc(Br)c3o2)cc1 747560458 DHWWQOGKTMFXEI-HNNXBMFYSA-N 490.151 5.481 30 20 JKED COc1c(C)cnc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)c1C 747600072 NFGONCOMENVYIF-JOCHJYFZSA-N 492.576 5.007 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 748617684 BMTCIFQPWRLFJX-QHCPKHFHSA-N 487.485 6.071 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(NC(C)=O)c(F)cc1F 749332636 BBVXXCSALPZHFI-UHFFFAOYSA-N 456.262 5.045 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 749361310 YJWMUGRVZIAQOO-UHFFFAOYSA-N 466.570 5.490 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 751143514 XPZKBIBCUNKHSP-UHFFFAOYSA-N 475.892 5.260 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)cc1 751329689 VIKIDXVLMYVWNT-OAQYLSRUSA-N 493.635 5.196 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(Cl)cc1 799219502 SLGKMRLPCCWEOD-INIZCTEOSA-N 466.777 5.240 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)cc1F 799223266 OSDZFZVNZLXWNB-KRWDZBQOSA-N 487.906 5.619 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C2CCOCC2)n1 856621686 AYPRMMVITKNWFG-UHFFFAOYSA-N 462.525 5.200 30 20 JKED CSc1nc(C2CC2)cc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c1C#N 904490433 SENSDMFORXKEPM-UHFFFAOYSA-N 464.554 5.668 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1Cl 912706498 LEFUHEBXAHMBFB-UHFFFAOYSA-N 480.895 5.391 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1 914545422 IUTBOKRYCLTFGE-DEOSSOPVSA-N 491.588 5.441 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCCC(C)C)cc1 914549490 DEVYNSHSNCTGAQ-JOCHJYFZSA-N 469.607 5.100 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)Cc3ccco3)C2=O)c([N+](=O)[O-])c1 914692116 VFHYAUWHXRDYQL-JTSKRJEESA-N 492.557 5.088 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1nc(-c2ccccc2)cs1 915101405 ATSFZJKHJZABPY-MJGOQNOKSA-N 481.524 5.140 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1C 915103767 DSXBISMPUQKKQM-LBPRGKRZSA-N 478.546 5.905 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1 915350293 PZULQQUQIWQEGG-JOCHJYFZSA-N 485.385 6.176 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC 915600336 OLMXPFLLPNKYHM-VISDOYDDSA-N 456.542 5.403 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)NC2CC2)cc1 915683788 HLMZARBKWBUHNR-AVRWGWEMSA-N 453.546 5.509 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccco2)C1=O 916209890 UNZRFPOBADAZOQ-FQEVSTJZSA-N 471.941 5.541 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1 916210757 IEKVZHVMHLSHEA-QGZVFWFLSA-N 465.909 5.064 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)cc1C 916215794 KIRNRDWAUIVHQU-IBGZPJMESA-N 472.408 5.189 30 20 JKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 916692021 TYRAXPSFDDSBHX-UHFFFAOYSA-N 478.647 5.356 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 916904212 YKLUZFQNIGDWKI-QHCPKHFHSA-N 492.417 5.943 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2c1C 916904405 CGLLCQYEOCCUJB-GOSISDBHSA-N 488.594 5.540 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916909548 PNMFERTVNNTDAW-DEOSSOPVSA-N 495.535 5.553 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 916929647 BZPCSJOSUDKUIB-GOSISDBHSA-N 461.499 5.024 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916931063 JAFKIAUAZSRGCT-MRXNPFEDSA-N 499.741 6.054 30 20 JKED CC[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1nnc(-c2ccc(Cl)cc2)n1 917042489 CLXCXCVXDKYGRY-GOEBONIOSA-N 490.898 5.450 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044283 SFWUHOFLLZMBNK-IRXDYDNUSA-N 491.560 5.352 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-n2cnc3ccccc32)cc1 917568663 JHIMSEAWHIWWKJ-UHFFFAOYSA-N 461.550 5.655 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2)n1 917673623 PDNQCATURWXUIK-OAQYLSRUSA-N 464.978 5.204 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2Cl)cc1 917676805 ZCIALZJMBJNQSI-HSZRJFAPSA-N 489.000 5.050 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(C[C@H]3CCCO3)C2=O)c1 917701080 RCECDHSRIHNAJC-NOZRDPDXSA-N 487.625 5.596 30 20 JKED C=CCOc1ccc(/C=C2\SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1OC 920473945 ZLSKLXUCRGXWQD-ULJHMMPZSA-N 480.655 5.126 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(-c2c(F)cccc2F)cs1 920804795 ZOQPMCYTKWHDSA-HNNXBMFYSA-N 492.473 5.595 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2nc(O)c3c(C)c(C)sc3n2)cc1C 920893623 XYXSBZOZFHCXBY-INIZCTEOSA-N 475.574 5.326 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC=C3C(=O)CC(c4cccc(OC)c4)CC3=O)cc2)cc1 920975875 AXYKCVRKDVWGGP-UHFFFAOYSA-N 484.552 5.358 30 20 JKED CO[C@H](C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1)c1ccccc1 1786041323 NKKISBTUNUUIDE-MHZLTWQESA-N 467.569 5.013 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1786370860 FEWZYEQZTJGLOJ-FQEVSTJZSA-N 455.558 5.087 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1786370994 HVBDDUDBTKKMFL-MQNAVGNWSA-N 452.982 5.169 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4scnc4C(F)(F)F)cc3)CCC2)cc1 1787572626 SDAUEAGDPBTXAT-UHFFFAOYSA-N 484.503 5.024 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CCOc4ccccc4)cc3)CCC2)cc1 1787673694 PIFVDHJSXAKACP-UHFFFAOYSA-N 467.569 5.094 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CCC2)cc1 1787886771 UKQYBUDFVZKJRE-UHFFFAOYSA-N 463.541 5.281 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cnc5cc(Cl)ccn45)cc3)CCC2)c1 1788385025 VFJFLIBHSYEREM-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCC1 1788508212 VUZZSZAFIWGPIV-UHFFFAOYSA-N 477.008 5.491 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc2)CCC1)C(F)(F)F 1788527920 QBVYSBQZUCKXRZ-GOSISDBHSA-N 497.558 5.178 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(-c5nccs5)noc4c3)cc2)CCC1 1789224034 FMKUAXYNVHVHRN-UHFFFAOYSA-N 484.581 5.503 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Br)cccc4n3)cc2)CCC1 1789367330 FWUMCHRNEPTCME-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c3CCc3ncccc3-4)cc2)CCC1 1790019386 HACLWPSDXZROOA-UHFFFAOYSA-N 481.600 5.086 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1 1790189080 YZLBGQHUTBRZBC-UHFFFAOYSA-N 485.606 5.294 30 20 JKED COc1ccc([C@@H](C)C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1 1790705359 VGGYFCDPCMREBG-HXUWFJFHSA-N 467.569 5.313 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1791589811 IAZLPJSLLYABSW-UEVCKROQSA-N 481.637 5.265 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791730090 GECADHVBAMDUAJ-QHCPKHFHSA-N 483.653 5.254 30 20 JKED CC(C)n1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)n1 1792124940 PKYFIVWHHNZVOG-IBGZPJMESA-N 455.562 5.153 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)c(F)cc4F)cc3)CCC2)CCC1 1792180350 NSTQQKVLQYARJA-UHFFFAOYSA-N 488.332 5.169 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCC(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204502 BRLBLNDMYFFLPH-QFIPXVFZSA-N 471.642 5.416 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(OC(C)C)c(Br)c1 1799878792 JKBCHQABQISULJ-MLDAHLIKSA-N 489.454 5.100 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc5ccccc45)CC3)C2)cc1 1804759156 UJQKTGBEWQBLSS-UHFFFAOYSA-N 465.597 5.189 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4sc(C)nc4c3)CC2)C1 1805456830 JGGHDEKACDPATH-UHFFFAOYSA-N 451.636 5.218 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CC2)C1 1806061093 QEYVBRANGKAAJO-VWLOTQADSA-N 490.673 5.029 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1806577227 MXOXUSZOBQBSJC-KCWPFWIISA-N 496.127 5.035 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1810171498 FZPYJNDIWSBPKZ-PWHSHALESA-N 465.644 5.446 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2OC)[C@@H]1c1cccnc1 1810503101 NJOXHQCPDDZOMT-DENIHFKCSA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)[C@@H]1c1cccnc1 1810503474 RETJUIYIJKZJFJ-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccnc1 1810504141 XNHZMIQLAJLCIU-CVDCTZTESA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3cccs3)on2)[C@H]1c1cccnc1 1810844387 AJEKGCBRIXDUPD-WMZHIEFXSA-N 478.618 5.110 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811142336 YBRRKPRVAZBXSL-KLHJMIIUSA-N 479.930 5.286 30 20 JKED CC(C)/C=C/C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811252129 SLSGQAXQGCUYRD-QDICLZROSA-N 477.608 5.013 30 20 JKED CCCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1811420140 LTWGYVAFMXGTRE-JYFHCDHNSA-N 487.003 5.193 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1)c1ccccc1 1812230679 VITKJYHEVLRBPF-PBWSGDRGSA-N 491.591 5.345 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[C@H]1c1cccnc1 1812428032 VZDLKWGSCBVBTC-QLBJFCOMSA-N 497.083 5.036 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1812590433 JTIFGZWBUJJSNI-WDUKFBBWSA-N 464.368 5.059 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)[C@@H]2c2cccnc2)CC1 1812790898 YPBKGTUHPWABQM-NTYBTQPHSA-N 472.633 5.188 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1)C(F)(F)F 1813768153 KOWAWXJWWVZLMS-KXBFYZLASA-N 486.321 5.135 30 20 JKED N#CCC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814149118 RBAGVNAYUFNINA-BHBYDHKZSA-N 488.676 5.755 30 20 JKED CCSc1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814355433 LUWGBPUTOHLDNE-FQEVSTJZSA-N 495.008 5.061 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)[nH]n2)C1 1814393865 ZLTNUWQIVJJENE-OAQYLSRUSA-N 495.505 5.161 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)n[nH]1 1815157024 OZAADHVYBUIVKB-QNWVGRARSA-N 464.610 5.207 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1 1816693758 QFZGYCGSKOKHEF-JOCHJYFZSA-N 456.707 5.423 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)[C@H](C)CC)n[nH]1)C(F)(F)F 1816849128 LVRTWZMMVJDFLK-VMRPVKRXSA-N 462.516 5.350 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1 1818919764 HSEFFOPMKNJBBN-OXJNMPFZSA-N 485.426 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)[nH]n1 1819556156 WQNVXFNKKMADBR-LJQANCHMSA-N 453.612 5.559 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cnc2OCC)n[nH]1 1819878747 PMIYEFSKXLMIJW-IBGZPJMESA-N 474.005 5.155 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)c1 1820231088 AKEPSJJQGDXTSR-QFIPXVFZSA-N 487.947 5.609 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(F)c(C#N)c3)n[nH]2)cc1 1820913939 HGFXSJAKVXKABK-XMMPIXPASA-N 473.552 5.092 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cccc1C(F)(F)F 1821182516 ASZSJXZQAPBACX-JOCHJYFZSA-N 495.505 5.423 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)[nH]n2)c1 1821325888 SXDNNPMXNXBHLH-AREMUKBSSA-N 496.615 5.200 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3n2)[nH]n1 1821920380 HATGRRZWFCBPEZ-QVKFZJNVSA-N 496.409 5.239 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1)c1ccc(O)cc1 1822710437 ZXWIYNRCWBHBHG-XQFWAAQXSA-N 490.629 5.170 30 20 JKED C[C@@H](Cc1ccco1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1822846546 DWJRXPGOUIAXQR-BTYIYWSLSA-N 499.493 5.078 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)cc1 1823206769 QHBAUACCHOLXCA-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccnc4ccccc34)[nH]n2)c1 1823215631 YPCNVUYBQSQBNT-CJAUYULYSA-N 478.556 5.205 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823215871 IKBIALOGNNIUMM-MHECFPHRSA-N 487.629 5.307 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(Cl)c2)n[nH]1 1823243699 BLHNHASIMRISBC-YLJYHZDGSA-N 456.974 5.146 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)[nH]n2)cc1C#N 1823290435 AZGYUICSBUBCJW-DEOSSOPVSA-N 496.571 5.170 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(ccc5ncccc54)s3)[nH]n2)CCC1 1823378248 HBQQWWOZXYNTIL-HXUWFJFHSA-N 484.585 5.172 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Sc2cccs2)CC1 1824142350 PNIBRTUJSJRKJJ-DENIHFKCSA-N 460.709 5.617 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c3ccccc3n3ccsc13)CC2 1826425207 NJYRGVRFIXUIRP-INIZCTEOSA-N 476.627 5.030 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1826948195 UAUFPTSEXWICMU-LXFBAYGMSA-N 477.693 5.439 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1826950727 HVJCEQLZQGWPMA-YIXXDRMTSA-N 479.709 5.663 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccnn4C)c(Cl)s3)CC2)C1 1827362782 JLGSDVBOWPBBTA-HXUWFJFHSA-N 487.069 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2Cl)N(C)C)CC1 1828830110 LAHWNYSXTBVGCH-RZFJZAQRSA-N 486.100 5.331 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(OC)cc2F)CC1 1828830510 ODHJORIIUSSGEJ-TUJRXNQHSA-N 468.613 5.236 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)n1 1828907171 WYIGEZMMEHYKNE-HHHXNRCGSA-N 495.784 5.302 30 20 JKED CCCCCc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)cc1 1828998527 JXDZSPHYKZDAKX-QOKVKHORSA-N 491.676 5.294 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829998333 AQXVOHQDRIHJQC-HSZRJFAPSA-N 487.497 5.263 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1830360069 DOQCXHXDZQWYOY-CHZKFRDHSA-N 467.629 5.076 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1830441168 VHWXTCITUKOXGI-DYESRHJHSA-N 484.534 5.212 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1830721331 BWXFCZKTBTYNID-XUZZJYLKSA-N 454.014 5.191 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830735413 HMOHGBOLGJGKBB-SFHVURJKSA-N 477.354 5.577 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830737501 UOSGHPHCTGTZHW-YWZLYKJASA-N 486.415 5.167 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)c1 1830765604 ULBVZZUUCFIJAL-FKCDAAJZSA-N 491.582 5.182 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)s1 1831139633 INTDANIDUAFEDK-UGKGYDQZSA-N 465.729 5.064 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(=O)c3ccc(Cl)cc3)CC2)c1 1832629512 SHMOKFKKSKVCRX-KBMIEXCESA-N 492.019 5.083 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1 1832629895 DRQICGFIGOTAQA-SBUREZEXSA-N 486.538 5.208 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3OC(F)F)CC2)cc1 1832673964 SVWRWJSGLIFYFJ-DEOSSOPVSA-N 495.570 5.026 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832731049 CIXFMAPRBAFSNG-QFIPXVFZSA-N 478.555 5.059 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC34CN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C4)c[nH]2)cc1 1842171629 SGENNHXJVOUWQM-UHFFFAOYSA-N 492.501 5.011 30 20 JKED Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3ccc(C#N)cc3Cl)C2)c2ccccc12 1845489411 QAKCPHNMBHBGSH-UHFFFAOYSA-N 471.988 5.123 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174163 LQPKDEQENDWIHV-UHFFFAOYSA-O 487.567 6.493 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(Cl)cc1 10754073 FWFLCQITSWKPGD-UHFFFAOYSA-O 474.408 6.350 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)CCC2 10827334 DEWDEALTUZKLPU-UHFFFAOYSA-O 498.071 6.758 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(Br)c2)cc1 11084959 YAAAWKGUCAYYNO-UHFFFAOYSA-O 471.444 5.305 30 20 JKED C=CCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccccc2)cs1 14723819 XPUBPEVKKTWOEK-UHFFFAOYSA-N 465.534 5.444 30 20 JKED C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 16791802 ALMAFSJLGWEFKX-JTQLQIEISA-N 463.744 5.143 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccccc1 21755464 YHBOANYSBWYRSY-LJQANCHMSA-N 472.614 5.432 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccc(Br)cc1 22101110 VAYTXALLHXJDSG-AWEZNQCLSA-N 489.464 5.735 30 20 JKED Cc1cc(Br)c(NC(=O)CSc2nc3c(c(C)c2C#N)CCC3)c(Br)c1 22121051 BQNWUJXJPYMUES-UHFFFAOYSA-N 495.240 5.315 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 22175384 QAFJMELTFLAWBD-FQEVSTJZSA-N 489.670 5.703 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccc(OC)cc1 23998261 VCUPKDYATNNIRI-SJORKVTESA-N 462.575 5.244 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(OC)cc2)cc1 28793728 CSPKTPYLZKZAEX-UHFFFAOYSA-O 492.665 6.085 30 20 JKED CCOC(=O)CSc1nnc(/N=C(\O)c2ccc(-c3ccc(Br)cc3)s2)s1 31283566 NEMWNDDFOMKRSA-UHFFFAOYSA-N 484.422 5.321 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(Br)cc2)cc1 71981827 ZWJRBMCZPUEMAA-UHFFFAOYSA-N 451.320 5.112 30 20 JKED COc1ccc(/C=C2/N=C(SCc3ccc(C#N)cc3)N(c3cccc(OC)c3)C2=O)cc1 107609345 KJALTYGYYVWIMV-ZVHZXABRSA-N 455.539 5.253 30 20 JKED CCc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)cc1 107805565 FNYKCDAKFIGFBG-UHFFFAOYSA-N 454.555 5.921 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2cc(Cl)ccc2s1 195664276 MOLFWARJOAUCGR-ZFWWWQNUSA-N 492.815 5.985 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 481833278 XQAHRGCGDOWBCC-UHFFFAOYSA-N 495.457 6.089 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)CSc1ccc(C#N)cc1 483414728 ONKIEUJCCJKKOU-UHFFFAOYSA-N 469.488 5.869 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc(OC)c1OC 497814032 VWKXKUKOOVLPLT-UHFFFAOYSA-N 469.925 5.253 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(CN3CCCC3=O)c2)cc1Cl 500529351 AFGNYKPAVVYUFB-XMMPIXPASA-N 472.976 5.440 30 20 JKED COc1ccc(-c2noc(CCC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)n2)cc1 501162183 PEMZEYYUGHUIEY-UHFFFAOYSA-N 470.504 5.230 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccccc3F)CC2)c1 501716717 SJWGHJPYFZRVSF-UHFFFAOYSA-N 480.543 5.191 30 20 JKED C=CCN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502944505 IKZBSWYRVSHDII-HZPDHXFCSA-N 492.428 5.201 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)s2)cc1 508364601 ZFDHGVZPIZMCQK-DOTOQJQBSA-N 475.521 5.398 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Sc2nccn2C)nnc1-c1ccc(Cl)cc1 509123579 NBXWLWKLJJTVQG-UHFFFAOYSA-N 497.049 5.400 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1 509214530 XSNYPXASGBMRRY-VWLOTQADSA-N 461.949 5.590 30 20 JKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)CSCc2ccc(C#N)cc2)c1 510027645 IRDICKGFDZTUCR-HXUWFJFHSA-N 457.599 5.540 30 20 JKED Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n(-c2ccc(C(F)(F)F)cn2)n1 510077610 DPAHXZRDTNMMCK-UHFFFAOYSA-N 481.409 5.650 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 510200943 RYROOAGESLONSA-FQEVSTJZSA-N 487.625 5.648 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 510681168 LQFYEVNRUWLMFW-UHFFFAOYSA-N 475.936 5.282 30 20 JKED Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1[N+](=O)[O-] 511152050 ALPHYPVDTJSRPV-UHFFFAOYSA-N 471.922 5.003 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1 511571616 BWBZOVNZQYPINQ-UHFFFAOYSA-N 456.527 5.895 30 20 JKED N#C[C@@H](C(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)c1nc2ccccc2s1 513692952 XKQGYKADBDLCIA-KRWDZBQOSA-N 494.345 5.940 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 513845680 YTKVWDVRMNWKAC-UHFFFAOYSA-N 488.931 6.107 30 20 JKED CC[C@H](C)CCCCn1c(SCC(=O)Nc2sccc2C#N)nc2ccccc2c1=O 513896407 XPGGQQMOURLJJS-INIZCTEOSA-N 454.621 5.277 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c1 516045196 UZCFHISLWOUPSF-QHCPKHFHSA-N 465.912 5.006 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(OC)c(OC)c4)n3)n2)cc1 516270461 ZLQCLNQHLFCUHY-QGZVFWFLSA-N 477.567 5.449 30 20 JKED N#C[C@H](C(=O)c1cccn1Cc1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 517306762 VLPGKDYNTZYCDD-MRXNPFEDSA-N 458.395 6.518 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3S[C@H](C)CC#N)[C@@H](c3ccco3)C2)cc1 517534929 KQVPYKYHKUWWIH-WZONZLPQSA-N 474.586 5.472 30 20 JKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 517536160 WLGITBLURDSAOG-QFIPXVFZSA-N 461.565 6.240 30 20 JKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 518101908 WYODLYHEIZWSIL-FOIQADDNSA-N 467.903 5.432 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1OC(F)F 518591997 HWCHAWIEMZOPFA-OAQYLSRUSA-N 479.483 5.466 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 519414472 KMMKLXKQJLIBBD-CQSZACIVSA-N 473.624 5.272 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc(OCC)c2)nnc1-c1ccc(Cl)cc1Cl 519876727 LTPCDEPSQYCURF-HNNXBMFYSA-N 491.444 5.806 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1 520561155 AKZSFKZPIVJPOW-UHFFFAOYSA-N 469.522 5.404 30 20 JKED Cc1cc(NC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)n(CCC#N)n1 522742900 CJLXCPJTUREHGD-UHFFFAOYSA-N 450.951 6.049 30 20 JKED CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc2c(c1)OCCO2 523902723 QAQIWIJAGVILRY-XMMPIXPASA-N 459.521 5.332 30 20 JKED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 524701932 CZNFEJXQEFAEEE-XMMPIXPASA-N 485.385 5.173 30 20 JKED Cc1ccc(-c2nnc(SCCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)o2)cc1C 590613236 SAHOJCJBZXZPSQ-UHFFFAOYSA-N 475.574 5.406 30 20 JKED C=CCN(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 591593458 IJMCZLBFQUUUPS-UHFFFAOYSA-N 496.552 5.344 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccco2)c1 597560939 BZWLANKEQTWJJC-OAQYLSRUSA-N 485.613 5.631 30 20 JKED CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 603758659 ZSCAOQQMHWLOSR-UHFFFAOYSA-N 493.532 5.059 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)c2cccs2)cc1 603802031 YJMSOCAXATXYOX-CYFREDJKSA-N 459.619 5.149 30 20 JKED N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cn2)c1 603978826 AVWQMAWQQXYKJF-UHFFFAOYSA-N 453.829 5.219 30 20 JKED Cc1cc(C)cc(Oc2ccc(NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2)c1 604087751 PZAOWOYGGPDIND-UHFFFAOYSA-N 457.534 5.187 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)c2)cc1 604242937 XPVWNKYXNNLKSX-UHFFFAOYSA-N 467.403 5.450 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1oc2ccccc2c1CS(C)(=O)=O 608805993 ZXZVDAXQTJPJPD-UHFFFAOYSA-N 460.511 5.202 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 609079220 PJBCXJVKIGBKCH-ROUUACIJSA-N 485.428 6.040 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1Cl 609164854 YMRVNEPWIHGTGX-AZGAKELHSA-N 495.966 5.794 30 20 JKED Cc1sc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)nc1-c1ccc(Cl)cc1 609438967 PPBUSKCWBRXZJY-CQSZACIVSA-N 457.024 6.488 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)cc1 613289933 YUYHNRRRRXNPRR-INIZCTEOSA-N 476.583 5.206 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613319863 NPDAGOXBIGQONJ-GOSISDBHSA-N 483.977 6.437 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1nc2ccccc2n1C(F)F 613401624 HBSMBKVYWMPAFD-IBGZPJMESA-N 496.583 5.710 30 20 JKED C=CCn1c(SCC(=O)NC[C@@H](c2cccs2)N(C)C)nnc1-c1ccc(Cl)cc1Cl 630024893 XLFMZIRLLCFLSW-KRWDZBQOSA-N 496.489 5.011 30 20 JKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1C(F)(F)F 642282406 OXOFKBHFKHTVSF-CYBMUJFWSA-N 459.378 5.434 30 20 JKED C=CCN(C(=O)c1cc(C)nc2c1c(C)nn2C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 644513370 XOQUKXZXMYKITJ-UHFFFAOYSA-N 472.401 5.848 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2C2CCCC2)cn1 726113457 ORKDAMMTIXCQMK-SFHVURJKSA-N 480.421 5.113 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccc2C)cn1 726114862 ZZJSKCXAAQKNGF-QFIPXVFZSA-N 496.036 5.334 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(CC[C@@H](C)OC)C2=O)c1 726401675 UTBRPBFOKMLEFH-QVKFZJNVSA-N 490.025 5.042 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CC2)cc1F 726412345 REVRQRISAUMHCY-SFHVURJKSA-N 495.548 5.272 30 20 JKED CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(OC)c(NC(C)=O)c1 726428471 MKUWYKGGTGXDAK-FNORWQNLSA-N 497.183 5.473 30 20 JKED C#Cc1cccc(NC(=S)NCc2ccc(NC(=O)CCCOc3ccccc3C)cc2)c1 726463894 BAINGMCSDXNOPX-UHFFFAOYSA-N 457.599 5.261 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726572665 IBCQMEFUTNEYLC-UHFFFAOYSA-O 455.647 6.700 30 20 JKED N#Cc1ccc(C2=N/C(=C\c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)C(=O)O2)cc1 726910024 ZMTRPEQGJJMCEX-NHDPSOOVSA-N 462.292 5.462 30 20 JKED C=C(C)COc1cc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)ccc1OC 728158209 XFQHUGHWSUWRKK-PCLIKHOPSA-N 460.555 5.498 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2CCCCC#N)c1 728778615 TWBFTBRDHXCEHM-FQEVSTJZSA-N 499.434 5.412 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1 729035852 JCBZDAPNPHZYKX-ZBLYBZFDSA-N 454.574 5.261 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 729631015 DCOALYBVEBUOGR-FTJBHMTQSA-N 494.620 5.192 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 729633565 FCTXPRIKOIVSEI-JOCHJYFZSA-N 479.005 5.512 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)c1 729669429 XEADGGUONIZJQR-UHFFFAOYSA-O 473.530 5.197 30 20 JKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 729889515 RTOOBEGVPRHNNV-LJQANCHMSA-N 466.950 5.852 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cocn1 730713501 SRVZFRQKSYEQGP-LJQANCHMSA-N 489.384 5.450 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1C 730943325 CFTCQQLRPSLXKK-CVDCTZTESA-N 458.587 5.420 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cc(Cl)ccc2Cl)n1N 730952905 YSEPMUJPKNPHOE-GFCCVEGCSA-N 493.445 5.091 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 730990106 SJKHYNSGFQFMGN-IYSPOMMRSA-N 487.697 5.620 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 731069568 ISTBZTAXGDJUJA-OFAQMXQXSA-N 465.962 5.478 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 731075005 UPLNFZDITGIMSQ-LJQANCHMSA-N 488.613 5.324 30 20 JKED Cc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(Cl)cc2)o1 731306214 LFNLIPZFLUAVIN-OAQYLSRUSA-N 483.977 5.150 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@H]2c2ccc(OCC)cc2)c1=S 732526375 BBGPMMPBKBLQDL-XUZZJYLKSA-N 478.618 5.306 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)cc2F)C1=O)Nc1ccccc1F 745583519 HZKJRGJNRPAXPJ-NRFANRHFSA-N 469.488 5.264 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 749360862 IYHVQBWSMXVASX-UHFFFAOYSA-N 450.502 5.021 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 837669001 ZIIIGXGNUBUSDK-BWKNWUBXSA-N 486.641 6.037 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(F)cc1 838487141 XNVNDLZCAHEYTB-JOCHJYFZSA-N 481.524 5.134 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1C1CCCC1 838527060 JRHLHQSZGVYRPS-QFIPXVFZSA-N 451.592 5.215 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 838553727 GVSKMYJTZXDAKN-FQEVSTJZSA-N 486.931 5.174 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)n2)c1 904635967 LWPZYCZYAOEHST-ZDPBTNRZSA-N 495.580 5.338 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 913098441 CTCMMABBSGOVTF-CQSZACIVSA-N 463.173 5.548 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC(C)C)c1 913119436 NITKGCHUJJUUOF-OAQYLSRUSA-N 487.025 5.223 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)Cc1cccs1 914689908 CVVSKJSTBCCQFN-OPAMFIHVSA-N 497.617 5.487 30 20 JKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2nc(C)nc3sc4c(c23)CCCC4)cc1 914772353 YQKTZOJUUFRFFL-UHFFFAOYSA-N 450.612 5.588 30 20 JKED COc1cc(C#N)ccc1OC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 915281112 OHRCJQGLJRGAIZ-UHFFFAOYSA-N 465.303 5.109 30 20 JKED CSCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nnc2ccccn12 915353513 UYPAHMWRKXPTOC-YADHBBJMSA-N 456.575 5.001 30 20 JKED Cc1sc(=O)n(CC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1-c1ccc(F)cc1 915619491 MAGLOCSJWXMJAT-CHWSQXEVSA-N 484.437 5.050 30 20 JKED COc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(CCC#N)Cc3cccnc3)c2=S)cc1 915795566 BSAOYFSGFZGQSQ-UHFFFAOYSA-N 491.020 5.501 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)cc1 916213008 WHCJMYBUVDUNSC-HXUWFJFHSA-N 498.402 5.511 30 20 JKED CCOc1ccc(Oc2c(C=Nn3c(S)nnc3C(F)(F)F)c(C)nn2-c2ccccc2)cc1 916303798 NYEVJBBLVBTSTI-UHFFFAOYSA-N 488.495 5.153 30 20 JKED N#C[C@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Nc1cccc2ccccc12 916917675 ILCIZDNWGLOUCN-OAQYLSRUSA-N 475.957 5.419 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946370 SHKTYXANOAJYMK-KRWDZBQOSA-N 498.313 6.026 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 916955697 SYOIOAQJBCOBDH-MGPUTAFESA-N 451.979 5.867 30 20 JKED CS(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1Cl 916977212 MYUFMWAXKQDSAE-CQSZACIVSA-N 451.356 5.010 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2n1C(F)F 917430229 HTLQRVZKHGLDQK-GFCCVEGCSA-N 493.358 5.798 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCN3CCC[C@@H]3C2)C1=O)Nc1ccc2ccccc2c1 917673644 DXNRZUGLGXIEOC-ZNZIZOMTSA-N 498.652 5.427 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 919894043 YODNDZOOHPTQFE-UHFFFAOYSA-N 488.594 5.539 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 920105970 OSKBJJRXNCMDCA-SFHVURJKSA-N 450.420 5.195 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3ccccn3)C2=O)c1 920172725 JBPILXRLYREMLT-RUZDIDTESA-N 484.625 5.348 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(-c2ccc(F)cc2)s1 924766938 NNQPEZBFJMQWOY-MRXNPFEDSA-N 452.507 5.055 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785791359 QLUJEBDYTFEMRS-MRXNPFEDSA-N 451.954 5.160 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)CCCN(C(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785809164 WPPYPGSBUCVAJX-NDEPHWFRSA-N 495.664 5.514 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)CCC2)cc1 1786106145 MJFVSQYCVRIDSR-YKSBVNFPSA-N 495.664 5.534 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)cc2)CCC1 1786308103 DEHIYUHTXDBCMU-XMMPIXPASA-N 477.605 5.271 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)cc3Cl)CCC2)cc1 1786369990 IPVOUCYHSCAOFL-NTUHNPAUSA-N 468.981 5.176 30 20 JKED Cn1ccc2cccc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(F)c(C#N)c5)CCC4)cc3)c21 1789060641 IVHYZWOWXFWRTI-UHFFFAOYSA-N 480.543 5.179 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)cc2)CCC1 1789293298 HTLHRVOFHYWQIW-HXUWFJFHSA-N 490.551 5.055 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)CCC1 1790089013 LRNMVLABEDBNIZ-UHFFFAOYSA-N 477.605 5.394 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)CCCCCCC(=O)OC(C)(C)C)cc2)CCC1 1790560823 YKYJRXMQXMMSAC-GOSISDBHSA-N 462.656 5.121 30 20 JKED C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1)Oc1ccccc1 1791145939 SAAVNPONIARZOX-FQEVSTJZSA-N 453.542 5.164 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CCC1 1791404950 IXVQOYDODCYIAY-XQUALCHDSA-N 493.648 5.002 30 20 JKED Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)cc1 1791570495 LYURHZBTZPWKGA-AVRDEDQJSA-N 497.661 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792289895 NLUMGAPPSDHVTB-UHFFFAOYSA-N 483.653 5.370 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccccc3)n3ccccc23)c1 1799099217 XCJMEDNSNVWUOJ-NUNAXRQHSA-N 492.554 5.183 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3sc4ccccc4c3Cl)[C@H]2c2cccnc2)C1 1802407184 LNSMYMAXIUJRQO-VGSWGCGISA-N 466.006 5.236 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cc(F)ccc2Cl)[C@H]1c1cccnc1 1802489878 AXWKDBZXDWUYRX-DVECYGJZSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccnc1 1802495722 MRFCBOSTJYYUNO-UKILVPOCSA-N 463.622 5.182 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1)c1ccc(Cl)cc1 1803677014 XLQWTRNXNTYHLV-BEGWYFQMSA-N 478.036 5.659 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1805366014 YCIJRJNFKBUIBL-SQHAQQRYSA-N 484.600 5.133 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CCC4(CCCN(C(=O)CC#N)C4)CC3)cc2)cc1 1809023434 KRCAYJOUFGITDT-UHFFFAOYSA-N 457.618 5.455 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810175369 QJAKZUMXEOZPNU-NFYPFPQSSA-N 475.658 5.470 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(OC)cc3)C2)CC1 1810400460 HTLAIUAIXGYRHA-VWLOTQADSA-N 487.644 5.370 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1810503075 NXSBWRQKNUTJEG-HTAPYJJXSA-N 492.422 5.840 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810588148 FVHATMNCRASYOZ-JYFHCDHNSA-N 496.051 5.610 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1812759941 SZJQCLFUNWGSGL-BYXJMBFLSA-N 480.612 5.140 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)[C@@H]1c1cccnc1 1813060775 JSRUOVWOLWUABO-MKYKQAKUSA-N 490.692 5.019 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c1 1813836688 FHIJFSUIYZUCTD-YADARESESA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccnc(C(C)(C)C)c3)[C@@H]2c2cccnc2)c1 1813864803 DVTYAKPDFDJUDI-CMTYHFORSA-N 495.627 5.035 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1813869603 LBTKCJLICOAQKF-GZFILCKSSA-N 472.633 5.245 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813955904 YOSBJROHKCXWSO-DQEYMECFSA-N 475.539 5.280 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@H](CNC(=O)C3(C#N)CCC3)[C@H]2c2cccnc2)cc1 1814054056 QJDZUKQXWVVVDU-SHQCIBLASA-N 478.596 5.071 30 20 JKED Cc1ccc(F)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1814579192 YWPUKSBBTVCDLK-HSZRJFAPSA-N 489.551 5.136 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(Br)c2F)n[nH]1 1814811926 HJYLPUQEYUFTRX-KXBFYZLASA-N 491.405 5.148 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(CC=C)CC=C)n[nH]1 1814830210 RRJZUQBHCCXZCO-IFMALSPDSA-N 499.656 5.030 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(F)(F)F)nc3ccccc23)n[nH]1 1819193099 OATZFZJTFPKNQN-OAQYLSRUSA-N 497.521 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c[nH]c4nccc-4c3n2C)n[nH]1 1820130038 AYADVWSTBIJONB-HXUWFJFHSA-N 487.608 5.028 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821026753 IBIQCQGUNBAVRR-OXQOHEQNSA-N 458.990 5.368 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)ccc1F 1821117596 NFQPVQRNSITKOX-NRFANRHFSA-N 465.916 5.002 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)[nH]n2)cc1 1821180582 YWFHYDRUXFQRIT-AKFKNWHVSA-N 487.991 5.239 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)[nH]n2)cc1 1821180742 LULLKXBYTWXZDW-JOCHJYFZSA-N 495.505 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc3ccc(Cl)cn3c2C)n[nH]1 1821563606 AESQANKNOKCXCY-LJQANCHMSA-N 483.016 5.318 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1821924728 GVWOTLPKLYNIEU-BTYIYWSLSA-N 451.958 5.129 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823210246 ALLIZVQIHWUNPL-HJPURHCSSA-N 459.525 5.104 30 20 JKED COc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)[nH]c2c1 1823215515 TZGCHHDXQZQYKS-NSYGIPOTSA-N 496.571 5.146 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(Oc5ccccc5)cc4)sc3C2)C1 1823230133 FAQXWGHBQLIEHM-LJQANCHMSA-N 459.571 5.127 30 20 JKED CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1823684364 WFNNUCJOQJNOKQ-IZLXSDGUSA-N 471.645 5.304 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1 1823684622 AWKWFGZKHJRGRB-HHHXNRCGSA-N 496.611 5.079 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1824499777 MYGSKXVHXHTUSN-MHZLTWQESA-N 489.660 5.273 30 20 JKED Cc1cc(C)nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1827319342 BSZITTJYJAFMFA-XMMPIXPASA-N 498.549 5.136 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)c2O1 1827515559 GRXGVQTVJKQZPW-AREMUKBSSA-N 485.628 5.209 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)cc1 1828254682 KNWVJMCQXQHKNS-AREMUKBSSA-N 469.585 5.171 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1)C(F)(F)F 1828400380 INHHJFLPPLMHGP-NJYVYQBISA-N 468.947 5.182 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 1829068082 CXAFULOVOIKDNY-JOCHJYFZSA-N 464.606 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc(OC)c2OC)CC1 1829068532 BRKACXQQPFPPKF-NRFANRHFSA-N 474.617 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1829071687 WGDRXMPDHMRKKT-DEOSSOPVSA-N 484.681 5.249 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1Cl 1829685614 KIQAZXLFTAJOQJ-QFIPXVFZSA-N 488.390 5.551 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1 1829779939 MFIBHTBCXHLVFY-QFIPXVFZSA-N 473.404 5.049 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492999 DWFLETHOKCFKRY-CYFREDJKSA-N 452.620 5.031 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830628921 OWTVJCFFCDFXNG-XXBNENTESA-N 481.687 5.228 30 20 JKED CCCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830632492 OYEAHCDOFHTCCY-HHHXNRCGSA-N 457.618 5.252 30 20 JKED C[C@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC=CCC1 1830755234 HJKURFCUGIGVCH-OZXSUGGESA-N 487.566 5.557 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1831370496 LEOLQNFKMDCNAK-IZDQGOMCSA-N 463.666 5.196 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1831375078 YRAXQMKIBMXCMU-PMVMPFDFSA-N 491.717 5.148 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831377452 ZSLTULOIRGXABL-MHECFPHRSA-N 454.014 5.334 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)CC2)C1 1831804072 AIJYEHRGTMWIOL-QHCPKHFHSA-N 474.567 5.323 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1 1832631903 JFJRYZGZFXFRGV-DCFHFQCYSA-N 468.601 5.342 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)CC1 1836697792 GZAFVYFGBGXGIQ-UHFFFAOYSA-N 496.545 5.225 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(C)cc2C)cc1 10168358 KOKHPDNYJKJPOX-UHFFFAOYSA-O 458.434 6.511 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1cccc(C#N)c1 10355306 LDTRPRINTVTNPR-RUZDIDTESA-N 468.582 5.224 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10759081 DJOTUDSDHPXAOS-UHFFFAOYSA-O 477.959 6.393 30 20 JKED Cc1ccc(/C=C/c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)[nH]2)o1 12844452 AFOWJUSIQCEMAQ-ZHACJKMWSA-N 450.568 5.012 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@@H](C)C(=O)Nc4ccc(C#N)c(Cl)c4)cc3)o2)cc1 16288416 MMOMMDMOFCDZLL-INIZCTEOSA-N 486.915 5.421 30 20 JKED Cc1cccc(OCc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)o2)c1 16628944 OLXLQTSRWHRTRA-UHFFFAOYSA-N 487.585 5.026 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)C(=O)Nc1ccccc1Cl 16792734 QQYJBSZAYARCHW-MRXNPFEDSA-N 493.972 5.126 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 16821673 SJTOZQKMTDPWNM-SNVBAGLBSA-N 463.744 5.143 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1CC(C)C 21583254 CBCXQTDPXNQYSJ-GOSISDBHSA-N 481.597 5.176 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 22735226 TYTCKBJVEFGJFQ-UHFFFAOYSA-O 479.669 5.953 30 20 JKED CCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nc2sc3c(c2c1=O)CCC3 23393616 BFAFVKGECNCEDN-QGZVFWFLSA-N 480.659 5.093 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)cs1)c1ccc(F)cc1F 23610039 GFTCQXZTUIOKIY-PKNBQFBNSA-N 464.497 5.496 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 28614824 KJCBJUJDOLKLEL-UHFFFAOYSA-N 492.651 5.049 30 20 JKED C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 28786051 PWSUWVGJLZQTRN-KRWDZBQOSA-N 485.638 5.399 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nc2sccc2c1=O 36855153 UYYCUAPBQJLYLB-LLVKDONJSA-N 490.582 5.165 30 20 JKED Cc1sc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c(C#N)c1C 104588526 JXCCHVDZXCTTLQ-UHFFFAOYSA-N 463.563 5.354 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 116525322 DEGJECCDPVQAAP-UHFFFAOYSA-N 492.944 5.793 30 20 JKED COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCCCC#N)cc(OC)c1OC 208988417 XTJINDFGYJCDDD-JXAWBTAJSA-N 458.514 5.208 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)c2)c1 303015074 PPPBVECGUXSEEP-HXUWFJFHSA-N 493.350 5.109 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCSCc3cccc4ccccc34)CC2)c1 409540130 YOLMPPOUFCIQQI-UHFFFAOYSA-N 472.614 5.005 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)sc2c1CCCCCC2 409801973 AYYGRMMOAFFDSR-UHFFFAOYSA-N 479.915 5.784 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3OCc3cccs3)c2)c1 409807928 SKZCTRBQNQNCSM-UHFFFAOYSA-N 453.523 5.703 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 409829797 IDGPZVAIQACIEA-UHFFFAOYSA-N 495.526 6.531 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)c2c[nH]c3ccccc23)c1OC 481663130 VSVGKFXDFYVWKE-OAQYLSRUSA-N 458.493 5.149 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1 483498275 WUTXDLZLMLWERN-XMMPIXPASA-N 470.591 5.070 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)cc1 501706379 YJVBHVHJSIOJNH-UHFFFAOYSA-N 454.574 5.124 30 20 JKED Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)cc1 502637655 VUWCQGYREIITDR-UHFFFAOYSA-N 454.530 5.542 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)c2)cc1 504914771 OQCZOAYEJXUADU-SANMLTNESA-N 454.574 5.118 30 20 JKED N#CCCCn1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c2ccccc21 508006605 HJAZDOGAWIWSRU-UHFFFAOYSA-N 455.543 5.206 30 20 JKED N#Cc1ccc(CCC(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 510131019 DJQCAVALJNHCDH-OAQYLSRUSA-N 485.531 5.845 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1 510731238 GFQMJIFMBSTNAV-UHFFFAOYSA-N 460.509 5.149 30 20 JKED C[C@@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511412643 FMHXWQFMJAVXOU-SFHVURJKSA-N 478.390 5.847 30 20 JKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513861062 FUEINVZOUIBDBJ-UHFFFAOYSA-N 472.564 5.626 30 20 JKED CCN(CC)C(=O)COc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513951470 IQBVNDSPLJJEPP-UHFFFAOYSA-N 488.563 5.179 30 20 JKED C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nnc1-c1ccc(OC)cc1 514236414 SFJRTLYHVXUAEJ-UHFFFAOYSA-N 465.604 5.021 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 515935049 OWBYJYVJHQVFQN-HXUWFJFHSA-N 495.377 5.149 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4csc(C)n4)c3)n2)cc1 516270378 VPSLAIYZBVPGPZ-NRFANRHFSA-N 461.568 5.653 30 20 JKED C[C@H](NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(OCC(F)(F)F)cc1 516322936 JTYDPJWIXOSLJP-JTQLQIEISA-N 470.341 5.713 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1 520008635 HCAXTNQVOXJCFZ-UHFFFAOYSA-N 486.553 5.184 30 20 JKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1ccc(C(F)(F)F)cn1 520076302 CHOOJGIWYYLZIS-OAHLLOKOSA-N 458.486 6.690 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2c[nH]c3ccccc23)cc1 520937886 KSIVSPCEMBESBB-WMZHIEFXSA-N 484.625 6.524 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4Br)o3)cc2)c1 521315323 HCRYELPRVAYLLZ-UHFFFAOYSA-N 488.341 6.339 30 20 JKED O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 521534006 RWPUOTOJIPVHEO-UHFFFAOYSA-N 484.371 6.297 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 521809772 ISYOTHJQYZMQFR-SIKLNZKXSA-N 454.599 6.516 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CN3CCCCCC3)cc2)cc1C 553483306 PIVHHUOBNVYDNJ-UHFFFAOYSA-N 455.606 5.709 30 20 JKED COc1ccc([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1Br 562838224 NTDCXTSXQHGUSG-KRWDZBQOSA-N 451.364 5.759 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1Cl 589930489 LAOYPDLLJITFIF-UHFFFAOYSA-N 488.400 5.491 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)cc1C 594668405 UHNIOSNMBILHJR-GKWDUZDBSA-N 493.655 5.063 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccc(Cl)cc1 598022282 XPBVICPSCKAACC-AWEZNQCLSA-N 457.943 5.120 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1Cl 603673367 LWGRUPAVFKKIHS-FQEVSTJZSA-N 461.974 5.463 30 20 JKED C[C@@H](SCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 603758697 BHCBDEZAWORUHD-UZLBHIALSA-N 460.990 6.305 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 604004668 IFTVAYHGFKWANT-UHFFFAOYSA-N 463.493 5.628 30 20 JKED C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 604044286 CQIDHKMZCAOTEN-UUOWRZLLSA-N 476.964 5.794 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 604107489 COWDPMICDNGWIK-UHFFFAOYSA-N 491.016 5.390 30 20 JKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604147239 SNOQEVAEYBJRLK-UHFFFAOYSA-N 469.566 5.143 30 20 JKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 604554615 PDASMOXBDLRDEO-QGZVFWFLSA-N 490.658 5.150 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 609062090 WUCSZWCUVNDPLU-UHFFFAOYSA-N 489.522 5.215 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)N2CCCC2)c1 609078662 GIYUUUMFAFCXGX-NDEPHWFRSA-N 484.600 5.413 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(Cn4ccccc4=O)cc3)cc2Cl)c1 609080717 SXRWSCYDAQBUQA-UHFFFAOYSA-N 498.970 5.322 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 609141737 IAGISQCXRWPJLI-UHFFFAOYSA-N 466.566 5.779 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCCc1nc(O)c2ccccc2n1 609151748 DBZWOUXGMZZLBJ-UHFFFAOYSA-N 456.933 5.417 30 20 JKED N#C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccc(OCc2ccccc2)cc1 609171855 GTVYAEGITYTVRS-HSZRJFAPSA-N 459.933 5.040 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 609206743 BNDBRLHJMPWGCH-HXUWFJFHSA-N 499.489 5.581 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OCc1ccncc1 609209527 ATAOMAGLCPBLSC-FQEVSTJZSA-N 494.551 6.216 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(C#N)cc2F)c1 609215976 BTRONEPCISXMMA-UHFFFAOYSA-N 483.952 5.009 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2ccc(Cl)cc2)no1 609388963 NTCIXBQMNQIRRR-OAHLLOKOSA-N 458.008 6.261 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc5cc(Cl)ccc5s4)cc3)o2)cc1 613403251 MYPOTDOQDXFIME-LJQANCHMSA-N 470.941 6.465 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)nnc1-c1cccc(C)c1 639426640 GUFNKYZLMAMVHR-OAQYLSRUSA-N 452.649 5.203 30 20 JKED O=C(Nc1cccc(COc2cccc(F)c2)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642511866 JTSXNRPXDHUERA-HUUCEWRRSA-N 478.408 6.436 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 726397250 HHLYJJBSZMCCOR-KKSFZXQISA-N 474.026 5.342 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(C#N)c(Cl)c1 726406054 HSVWDACCBPUQEE-JOCHJYFZSA-N 474.973 5.511 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(C3CCCC3)C2=O)cc1OC 726421385 MTWBMCQSUMLXFQ-PUHHMSNFSA-N 487.647 5.098 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccccn3)C2=O)cc1 726421448 QNUMSFPJQYINPM-ZMAMKNHISA-N 464.616 5.042 30 20 JKED C[N+](C)=c1ccn(/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)s2)cc1 726572138 UCJBRKZDKHYDOJ-UHFFFAOYSA-O 476.434 5.083 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cs1 727685543 REZNBJWJOSFEDG-XNTDXEJSSA-N 490.531 6.581 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728268023 UNXHCXOHWKEKOK-UHFFFAOYSA-N 463.541 6.171 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1c(Cl)ccc(C)c1Cl 728429382 HEWADLVUBKRTNR-SFHVURJKSA-N 494.444 5.106 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)cc1 728777423 HRRCSQOUYKTMPI-JOCHJYFZSA-N 482.581 5.267 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3scnc3C)C2=O)cc1 729145055 HMJMAVAGWRAFHJ-FQEVSTJZSA-N 482.606 5.368 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1 729552780 KVZIKIYEYAJZHD-RUZDIDTESA-N 462.557 5.539 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/[C@@H](C)c1cccs1 729633578 YMSTYVSOHRCKSL-AIZZMXMBSA-N 464.616 5.042 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCc1c(C)noc1C 730441517 GMWNYGJZIZNQFH-QFIPXVFZSA-N 494.592 5.250 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCCc2c[nH]c3ccccc23)C1=O)NC1CC1 730717076 DQAPNJDIYNHMOS-JOCHJYFZSA-N 481.021 5.054 30 20 JKED N#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)c1cccc(Cl)c1Cl 731195598 LVBLBPVTLJPJJF-QZMUEMGWSA-N 486.380 5.401 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cc(Cl)cc(Cl)c1 731308111 JJNXQRFZPQGFMI-KRWDZBQOSA-N 452.363 5.069 30 20 JKED C[C@H](OC(=O)c1oc2ccccc2c1CSc1ncccn1)C(=O)N(CCC#N)c1ccccc1 742948866 BCDSNYFUZQJHOR-SFHVURJKSA-N 486.553 5.007 30 20 JKED COc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccc(C)s4)csc3n2)ccc1OCC#N 747168073 KHHZHXFGXGQQPC-OQLLNIDSSA-N 469.975 6.082 30 20 JKED O=C1/C(=C/c2ccc(-n3cccn3)cc2)CN(Cc2ccccn2)C/C1=C\c1ccc(-n2cccn2)cc1 747316748 BIQRVSAXVISSJY-VCNVVWDHSA-N 498.590 5.005 30 20 JKED N#CCCn1cc(C(=O)COC(=O)COc2ccc3oc4ccccc4c3c2)c2ccccc21 769560621 YTRARZLLXSTJTQ-UHFFFAOYSA-N 452.466 5.259 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2C)cn1 837426154 DFAFWJBMYVJYCL-JOCHJYFZSA-N 492.576 5.007 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1cccnc1 838191756 HDCGXZANNZNVFK-UZUQRXQVSA-N 476.577 5.505 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 839415526 YNYZTVWZUGNOSD-UHFFFAOYSA-N 471.995 5.204 30 20 JKED C=CCC[C@H](NC(=O)[C@H]1CCN(C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 849568730 PVAOXHLPROTOFA-ZRBLBEILSA-N 462.560 5.077 30 20 JKED COc1cc([C@@H]2CC(c3cccs3)=NN2C(=O)CON=Cc2cccs2)ccc1OC(F)F 852108035 ZTTGWCYFMKTWNV-KRWDZBQOSA-N 491.541 5.148 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C2CCOCC2)n1 856614177 NNXAUSRHRSYSPC-QFIPXVFZSA-N 462.981 5.919 30 20 JKED COc1ccc2c(C)c(CCC(=O)N(Cc3ccccc3)c3ccccc3C#N)c(=O)oc2c1 914515180 MRGBTRSOLFMURK-UHFFFAOYSA-N 452.510 5.148 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Cl 915180357 NTNIBEVFLVAUNN-JOCHJYFZSA-N 473.989 5.615 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N2CCCC2)cc1 915353661 VYDUESDNHGSUAA-RRPNLBNLSA-N 454.574 5.309 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2cccs2)cc1 915741314 RPPFNHXGFRJBJK-XCZPVHLTSA-N 493.632 6.200 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 915860134 KMOATPNYQLWEJP-JCMHNJIXSA-N 455.514 6.434 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(C3CCCC3)C2=O)cc1OC 916209143 FRGQAIHZSULVFJ-OAQYLSRUSA-N 488.009 5.260 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1 916212363 VBFOIGNKJOGQPB-GOSISDBHSA-N 460.943 5.009 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(C3CCCC3)C2=O)c(OC)c1 916215537 IFZLRPUPOSBGNA-HSZRJFAPSA-N 481.618 5.224 30 20 JKED Cc1cc2occ(CC(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2cc1C(C)C 916654258 WMXVYWRZJKDIDN-IBGZPJMESA-N 459.571 5.873 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 916710711 FPGXJUJPZKQKHM-RUPJRZHISA-N 483.421 5.031 30 20 JKED N#C[C@@H](C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3)c1ccc2ccccc2n1 916848600 FKSIXGSKCUWEMG-QGZVFWFLSA-N 474.611 5.324 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916885752 BAWRFLOFZABSEZ-RILLQZAHSA-N 474.838 6.034 30 20 JKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)N[C@H](C)c2ccccc2)cc1 917611812 DZEOUHOUYFECAI-LJQANCHMSA-O 490.693 6.434 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)cc1 917681031 LFLPUURZPSZCSZ-NRFANRHFSA-N 482.606 5.114 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2C#N)s1 917702332 GHYAYQRYAVYBDW-NRFANRHFSA-N 496.564 5.367 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CN2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(C(C)C)c2)c1 917710796 XLGMGHKNCYFOIX-WZONZLPQSA-N 494.661 5.062 30 20 JKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2oc3ccccc3c2CSc2nc(C)cs2)c1 918329223 PHFZZSKDXKZFCM-UHFFFAOYSA-N 475.595 5.182 30 20 JKED N#Cc1c(NC(=O)COC(=O)c2csc(-c3ccc(Cl)s3)n2)sc2c1CCCCC2 920676024 IYECXTTULPMNQW-UHFFFAOYSA-N 478.020 5.523 30 20 JKED N#C[C@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920804425 QKPNTAUSMXFKBB-KNQAVFIVSA-N 487.531 5.306 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807069 XFWCNCNWYBLMEK-OAHLLOKOSA-N 486.341 6.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CCO2)C1 1779244322 LVAKXZPRYKNFQX-NDEPHWFRSA-N 482.571 5.068 30 20 JKED CCSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1785780242 POGQRPIBDURQCM-UHFFFAOYSA-N 474.561 5.266 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1786374196 KGDGTODCKRWAAF-FQEVSTJZSA-N 455.558 5.087 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)cc2)CCC1)C(F)(F)F 1786788360 BDGKFDIXCPCMTR-KPKJPENVSA-N 494.517 5.197 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccc(C(F)(F)F)c5)[nH]n4)cc3)CCC2)CC1 1787110160 IPIRPGBZTYUKED-UHFFFAOYSA-N 493.489 5.147 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)/C=C/c3cccc(O)c3)CCC2)cc1 1788650028 QVCZIJSIMJHEDR-FELDBCONSA-N 472.566 5.040 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn(C)nc4C(F)F)cc3)CCC2)c1 1788842281 GFQCBJOFQSIPGY-INIZCTEOSA-N 477.515 5.046 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)[nH]c2c(Cl)cccc12 1789577693 YHFLOUKAUBEWDT-WKULSOCRSA-N 488.975 5.590 30 20 JKED CCC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1790472101 MHBSJDTZYIZLRM-UHFFFAOYSA-N 496.652 5.098 30 20 JKED Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1 1790745706 TWCJXDRNEWCENN-UHFFFAOYSA-N 477.362 5.019 30 20 JKED CCOc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790761820 DUNRWKDTEKYHHO-UHFFFAOYSA-N 463.534 5.219 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)cc2)CCC1 1790772676 ZXSKLAKGAVRZMD-HNNXBMFYSA-N 487.597 5.239 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccncc4)CCC3)cc2)c1 1792122969 FZTAHMUYQZAVJJ-IBGZPJMESA-N 470.598 5.249 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)cc4F)CCC3)cc2)c1 1792127195 SOHMLQFGUCGYBI-QGZVFWFLSA-N 457.505 5.220 30 20 JKED Cc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792169692 UUONGSBRIMWLHL-UHFFFAOYSA-N 468.557 5.110 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccc(Cl)cc5c4)CCC3)cc2)CCC1 1792233545 PANHJEUHRMSYNP-UHFFFAOYSA-N 458.949 5.330 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3ccc(Cl)cc3[nH]2)cc1C#N 1792470778 GQQSEYVFYYPZEX-KOUNCHBCSA-N 490.991 5.046 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSC1CCCC1)c1ccc(C#Cc2ccccc2)cc1 1793553011 FKSAUFZEVDWVTN-OOSCYNTBSA-N 472.654 5.014 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Cl)cc3[nH]1)C2)c1ccccc1 1798554881 DAIMXFPOIDGBJR-KIHHCIJBSA-N 474.004 5.270 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2CSc2ccccc2)C3)cc1 1800543451 UKLFUERULNFPLY-OOSCYNTBSA-N 495.648 5.611 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)c(Cl)c1 1800690519 OQQJWBCUUAARES-ACDBMABISA-N 498.970 5.519 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(OC)ccc3o2)[C@@H]1c1cccnc1 1802495877 GLLJQRHRDAKAOM-CJFMBICVSA-N 475.589 5.148 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802498937 PMNFFSWASIZWQR-VLYJIQRVSA-N 480.052 5.537 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1803084001 LUFVZDSJDAXCJA-CPJSRVTESA-N 494.060 6.038 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1803084501 QTYZVFNLLLZIKO-IGKIAQTJSA-N 453.586 5.323 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1803116650 HOILFIOFRJEZLQ-JYFHCDHNSA-N 465.613 5.242 30 20 JKED CC[C@H](C)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1803369153 XEKGBBRCQAMJFI-KNHXXRFOSA-N 479.624 5.237 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1804842476 BCLFOEOUHNEWPK-IGKIAQTJSA-N 484.644 5.697 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1)C(F)(F)F 1807477791 SUZVFYCMEZHGMU-NOZRDPDXSA-N 487.566 5.181 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1808464511 XERHKELSEIGAIC-ZCYQVOJMSA-N 486.616 5.357 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1809095346 GQQXQZIOQYNSRL-OZXSUGGESA-N 470.617 5.250 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810923217 HIQRFXRGGXICNI-AVRDEDQJSA-N 491.529 5.552 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)[nH]c12 1811420718 WFYUYRZXIAZVCP-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1812233928 DDICTZDPYNWTRF-CJFMBICVSA-N 477.008 5.304 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1812673122 OTBRCMHSCZEFRT-IFXJQAMLSA-N 486.321 5.059 30 20 JKED C[C@H](CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1)c1ccccc1 1812732508 GAOGRUOKUIZYFO-HEXNQTKTSA-N 487.003 5.120 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c1 1813867314 CYXUYKZCKQSHNZ-CUHUQNRHSA-N 484.581 5.150 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813954043 TVXWZJGTZIXNPW-PXJZQJOASA-N 483.612 5.051 30 20 JKED C#CC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814162365 ROKQOEIUNYUAME-LITSAYRRSA-N 459.634 5.084 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814935885 VMXFQFLFTPXBPB-FQVRHNBASA-N 455.002 5.605 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1815652603 RSKNJWXLTDEUSO-YXBWYFRISA-N 478.540 5.053 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816462727 WGEKBJKQDPJOLF-GHTZIAJQSA-N 452.599 5.683 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)c1 1817590178 OTALOSRDIURCJK-SIBVEZHUSA-N 494.599 5.457 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818472209 OEKQRBFKUWNOBU-XMMPIXPASA-N 487.680 5.315 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)n[nH]1 1818868323 SAJGMFKYAPCFSX-CUDBPUKSSA-N 467.013 5.627 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)n[nH]1 1818919052 KFQILNUUHJDSJF-OAQYLSRUSA-N 497.437 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)[nH]n1 1819302563 IFZZERYRNZAYDI-XLIONFOSSA-N 474.577 5.241 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820232517 QQUSLRVLHNQEMZ-FQEVSTJZSA-N 452.942 5.309 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3Cl)n[nH]2)c(Cl)c1 1820428654 YEYDESCOCJQEGA-HXUWFJFHSA-N 468.344 5.208 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)cc1 1820548405 AQGVSFPAWHLEQR-NRFANRHFSA-N 473.920 5.301 30 20 JKED COc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCCCC(C)(C)C)[nH]n2)c(C#N)c1 1820837734 SSOOXJPKJLRHBU-XMMPIXPASA-N 493.652 5.521 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821566692 MWMDPPFFWDRVRV-WZONZLPQSA-N 477.996 5.686 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)[nH]n1 1821924419 BOVUYIQMPCNJKS-XOBRGWDASA-N 498.425 5.480 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3F)n[nH]2)c1 1822969250 ZFFHDANUCCXCDT-UUOWRZLLSA-N 473.552 5.115 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1C 1823210808 IQTLHZIGHUHHHB-CPJSRVTESA-N 469.589 5.202 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1823215588 XCKUZEMPQLZZIZ-KXBFYZLASA-N 489.626 5.933 30 20 JKED COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c(Cl)c1 1823247102 HABMFEKZOKPCRM-NRFANRHFSA-N 498.370 5.216 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1)NC(=O)OC(C)(C)C 1823347823 GTVHENMSNOOWQM-PZJWPPBQSA-N 487.645 5.008 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)[nH]n2)CCC1 1823377734 WCDRFKZQWVVCNL-INIZCTEOSA-N 467.982 5.278 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(Cl)c3)CC2)C1 1823701900 RXZJPJQHOMAUEN-HSZRJFAPSA-N 459.030 5.327 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)C1 1823704259 CWLFDBKTVHLEES-NRFANRHFSA-N 452.492 5.044 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1824051969 ZULZEBWYDVHSSC-HSZRJFAPSA-N 499.442 5.126 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824139979 UVOUKWXBHVMBSV-RUZDIDTESA-N 482.665 5.025 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 1824144075 YCUXEXBRZSLMSM-OAQYLSRUSA-N 464.437 5.390 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824953685 UZAANPAVVBUUNR-XNMGPUDCSA-N 474.645 5.607 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)CC1 1825687078 IKFZWBPPWSVZAQ-LEWJYISDSA-N 463.544 5.102 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1826195409 RPRBRSBTQSKWNZ-YADARESESA-N 479.024 5.218 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827365483 VXWCKHXPYMGWKJ-MHZLTWQESA-N 494.639 5.685 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1827494718 PGNSRTVZSGDBDI-QFIPXVFZSA-N 469.029 5.170 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533118 ALVBKFGXZVSUFS-RUZDIDTESA-N 495.461 5.639 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c1 1827780033 UNTXTTAQSQQZAY-HTAPYJJXSA-N 487.522 5.473 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)cc1 1828129914 KUUZLCWHPDZVPC-XMMPIXPASA-N 486.641 5.034 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828168706 TYCJVJSRLOQOPS-YLJYHZDGSA-N 475.054 5.379 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1830014884 BGZLCUIYQPTHHW-XMMPIXPASA-N 475.976 5.505 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)cc3F)CC2)c1Cl 1830094187 GMWFQTPAQYXKKB-QFIPXVFZSA-N 471.935 5.037 30 20 JKED CCCCCc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)ON=C(C)C)CC2)c1 1830417468 ZLBNAYAJNWYTEK-WNCULLNHSA-N 483.697 5.382 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)cc1 1830533947 KCLKSRIZIUBMBY-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830627728 LSBSQDDCFBRADJ-LEMPSFLLSA-N 461.631 5.151 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1830769458 PWWGOVZTDDAHRB-AREMUKBSSA-N 489.019 5.549 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(Br)c3)CCCC2)CC1 1831317524 JPTLEOGLMYEYHZ-XMMPIXPASA-N 499.493 5.294 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1831374627 RHYACZWLAGIVPN-YKSBVNFPSA-N 483.653 5.479 30 20 JKED COc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2c1 1832632804 VWJFJJJOXVTGDN-FQRUVTKNSA-N 499.611 5.616 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1832634308 UPNLTMYHKJIOFW-DFBJGRDBSA-N 497.561 5.880 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)c3ccccc3)CC2)c1 1832635732 QDWSOGAXWXOLPY-LOYIFYEOSA-N 457.618 5.351 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832713154 LHAOFXONCSLHCC-UXHICEINSA-N 475.457 5.320 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(Cl)ccc(Cl)c3O)CC2)CC1 1838373546 VUMSQEDMQJKWEZ-LJQANCHMSA-N 495.447 5.080 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1838536134 XQDSVEIUPKNZTC-IBGZPJMESA-N 474.045 5.040 30 20 JKED CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccc(Cl)cc1 9071190 ZKASPVXMJGZPPA-CYBMUJFWSA-N 472.039 5.407 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 9071346 KKLAJOZLSVAHBP-UHFFFAOYSA-N 469.998 5.056 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(N(C)C)cc2)c(Cl)c1 11089549 LPDXDHZNXOFIJY-UHFFFAOYSA-O 474.984 5.639 30 20 JKED COc1cccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2-c2ccc(Cl)cc2)c1 11461693 JLULTXWFYAACNS-UHFFFAOYSA-N 481.990 5.260 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 15848672 QTCONFKIRDBTIN-YOEHRIQHSA-N 467.660 5.505 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2cnn(-c3ccccc3)c2)c1=S 16877989 CCFFAVUUALMLFL-UHFFFAOYSA-N 450.999 5.196 30 20 JKED C=CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2cc(-c3ccccc3)sc2c1=O 17889851 XEEIGBFYWPYJNR-OAQYLSRUSA-N 461.612 5.233 30 20 JKED C=CCN(C(=O)CSc1nnc(C)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18974680 QLCVQUCMSLNEHO-UHFFFAOYSA-N 457.433 5.588 30 20 JKED Cc1cccc(COc2cccc(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCCCN4)c3)c2)c1 21030700 IFFCDDJKRAZLAY-UHFFFAOYSA-N 491.613 5.077 30 20 JKED C=CCN(C(=O)c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 21838331 GTYVTHSJRGNPOO-UHFFFAOYSA-N 490.606 5.839 30 20 JKED N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 22061394 CFOGZKDZCOROGR-UHFFFAOYSA-N 472.313 5.824 30 20 JKED Cc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(Cc2ccccc2)cc1 22695772 WUNGTKHPAGRAEA-UHFFFAOYSA-O 473.568 6.202 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1[N+](=O)[O-] 23244896 MVGSJANXVCRCTJ-UHFFFAOYSA-N 453.549 5.160 30 20 JKED C=CCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nc2sc3c(c2c1=O)CCCC3 23559438 YCMGEYIZELTXNI-CYBMUJFWSA-N 484.672 5.291 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23603860 UPXNPRPFJAXJQF-UHFFFAOYSA-O 496.656 6.641 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC(c3nc4ccccc4s3)CC2)c1=S 23842791 NWDWFSVXAWUKFR-UHFFFAOYSA-N 482.723 5.075 30 20 JKED Cn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1Cl 26009848 WEORGIUUCDHFOL-INIZCTEOSA-N 465.991 5.228 30 20 JKED C=CCOc1c(Br)cc(CNCc2cc3c(cc2OCC)C[C@@H](C)O3)cc1OC 26313943 BATOLKGJBTUXJT-OAHLLOKOSA-N 462.384 5.034 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)nnc1-c1ccco1 29991144 GFBOCQUYWASUCP-LJQANCHMSA-N 499.552 5.533 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)cc1 46893623 ILFZKPWZNBSOPX-RDGATRHJSA-N 471.988 5.795 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 69643954 DDDPFWHNSQKQQZ-AWEZNQCLSA-N 471.410 5.374 30 20 JKED Cc1ccc(-c2noc([C@H](C)Sc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)n2)cc1F 71858209 HJAZADVYMXXBEZ-AWEZNQCLSA-N 474.521 5.139 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccc(Cl)cc1 108966736 JEUCYYISRYFIIC-UHFFFAOYSA-N 478.792 6.434 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 220093464 HCTQJWYBSYPSSL-UHFFFAOYSA-N 467.573 5.148 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 302980691 PUTFSWREKCDFCM-XNMGPUDCSA-N 490.525 5.353 30 20 JKED C=CCN(C(=O)Cc1cc(F)cc2c1OCOC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476137439 FMQLRWTZLIYPOY-UHFFFAOYSA-N 479.360 5.884 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N[C@@H](C#N)c2ccc(F)cc2)s1 486541881 UTXXTSBLLKACJX-NRFANRHFSA-N 472.545 5.625 30 20 JKED CCCc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cccs2)cc1 497415959 IJRQQZXIIJSLGZ-XMMPIXPASA-N 466.628 5.297 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1 501588197 HXKFCKMRUHODJO-DEOSSOPVSA-N 466.990 5.131 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NC3(c4ccc(Br)cc4)CC3)s2)cc1 503245349 MFMGHTAOQNVGBE-UHFFFAOYSA-N 486.420 5.275 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1C 505454195 USLNPNUOEDKYBY-UHFFFAOYSA-N 467.573 5.440 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 506569285 BMJDKPDVTXIGOM-FQEVSTJZSA-N 482.609 6.646 30 20 JKED C[C@@H](Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)Nc1cccc(C#N)c1 507555159 YROXGIOJVZCNTR-OAHLLOKOSA-N 452.436 5.268 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c(OC)c1 508246502 ABMSZBJMZUPRAZ-QHCPKHFHSA-N 473.529 5.745 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1 509951874 AIVJSUUZTMLZLS-XMMPIXPASA-N 463.921 5.618 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 511390312 HYRFOGHFIBOJKF-UHFFFAOYSA-N 498.583 5.223 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC1CCCC1 511419627 DPVKJMFBHWUJAY-OAQYLSRUSA-N 499.611 6.544 30 20 JKED COc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1Br 511461710 LNDVIRFQCAHWDL-HNNXBMFYSA-N 493.361 5.464 30 20 JKED CC(C)[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc2ccccc2[nH]1 511496296 DLCOJAMGCPIJTA-HSZRJFAPSA-N 452.518 5.206 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc(-c5ccc(Cl)cc5)no4)C3)cc2)c1 517530274 NPODXCKKTFSWBM-HXUWFJFHSA-N 499.958 6.465 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](c3ccccc3)c3cc4ccccc4o3)CC2)c1 517912303 YODHFXYTPWKOBQ-HHHXNRCGSA-N 451.526 5.647 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 518069308 DVZZLNVLTSUOQZ-GOSISDBHSA-N 453.498 5.042 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)n1 518664025 DXRVAXKAKPVNKJ-INIZCTEOSA-N 491.421 6.409 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 518668649 JNBVDKSFSDIFOO-UHFFFAOYSA-N 467.538 5.330 30 20 JKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1SC[C@H](C)C#N 519448749 KREFNRJWRYFQJD-OAHLLOKOSA-N 464.404 6.282 30 20 JKED N#CCc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 520138024 JTENHQFJLCERGB-UHFFFAOYSA-N 452.436 5.074 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 520143006 BWPDAMSUFHVUII-UHFFFAOYSA-N 481.339 5.206 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 520431283 CXJCCUPYSQWMRE-LJQANCHMSA-N 466.349 6.794 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1 520855382 KYEXFOKEJPDNCF-LJQANCHMSA-N 458.587 5.821 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)cc1 522485537 NVYOUWFSYMALKF-UHFFFAOYSA-N 481.508 5.634 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 524392342 CIGUFECSBCJOPA-LJAQVGFWSA-N 489.575 5.946 30 20 JKED CCOc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OC(F)F 524438610 MYUNGCCWSPRMBB-UHFFFAOYSA-N 481.499 5.768 30 20 JKED Cc1nc(-c2cccnc2)nc(O)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 524707575 XZCFWZCGAIYDNZ-JOCHJYFZSA-N 469.932 5.043 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 556185198 BIZKXBXDKBHTHU-UHFFFAOYSA-N 484.318 5.487 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(-c2c(F)cccc2F)n1 586801670 FKFWBXFYOZDLBZ-RKDXNWHRSA-N 458.374 5.728 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc([C@H](C)OC)c2)nnc1-c1ccc(Cl)cc1Cl 588826737 OKJMIPZWMYYZBO-AWEZNQCLSA-N 477.417 5.876 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)n2)cc1 594363574 ZGJMHRFYDOHXCI-QHCPKHFHSA-N 483.574 5.146 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2ccccc2Br)n(Cc2ccco2)c1C 603454046 BWQYZGLBUAFPCA-UHFFFAOYSA-N 458.381 5.501 30 20 JKED CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603829024 PGITUWHRIPJDAV-QFIPXVFZSA-N 452.986 5.250 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)s2)cc1 603829920 KPZPRDSVERJLNL-IBGZPJMESA-N 474.615 5.595 30 20 JKED N#C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(OCc2ccccc2)cc1 609027639 AHBOTHYAQZGOAG-SANMLTNESA-N 473.532 5.115 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cc(F)ccc3Oc3ccccc3)CC2)c1 609049381 JVWIPEQJDCXQFH-UHFFFAOYSA-N 458.493 5.372 30 20 JKED Cc1ccc(-c2csc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1[N+](=O)[O-] 609055678 OSYMGSDBWBGMTM-UHFFFAOYSA-N 460.471 5.323 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609110342 HPCBMCWJWFHAKY-AREMUKBSSA-N 498.558 5.080 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 609427767 JLQSWRUKELPLLX-INIZCTEOSA-N 472.010 5.234 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc12 613392611 VYHUUXRXTCVZFC-FQEVSTJZSA-N 454.580 6.068 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1nc2c(s1)CCCC2 648027303 VJSXSHAPICPCFR-UHFFFAOYSA-N 471.630 6.156 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 725995476 DXAWGHREWMCACQ-AWEZNQCLSA-N 480.533 5.651 30 20 JKED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N(CCC2=CCCCC2)C1=O)Nc1ccc(F)cc1F 726111413 KBCWHYCLMYWGQW-SQVRLAAPSA-N 498.599 5.122 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCc2ccc(Cl)cc2)cn1 726117061 QLJNXHKRNVCXDD-QFIPXVFZSA-N 496.036 5.150 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 726322507 WVDJSRFMMMAEHR-OXJNMPFZSA-N 456.502 5.276 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(OC(C)C)cc2)[n+]2ccc(C)cc2)N=C1C 726574811 SIYQOARBTROWOJ-UHFFFAOYSA-O 464.611 5.387 30 20 JKED N#C[C@H](C(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1)c1nc(-c2ccccc2)cs1 727265365 CUANJHNAQQAJEQ-OAHLLOKOSA-N 484.965 5.545 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c1 728185561 LJDZIGDIFHVGPY-UHFFFAOYSA-N 458.539 5.178 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(F)cc1F 728424634 FPHTYDSUHWQYJQ-QRQCRPRQSA-N 494.523 5.021 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1 728679898 KHKSIIQAKIRDBL-UHFFFAOYSA-N 451.573 5.097 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc(O[C@H](C)C#N)cc2)C(=O)c2ccccc2)c(Cl)c1 728698373 IGJIHAMCUPFLLA-IQJJTXKVSA-N 458.945 6.153 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)cc1 728776612 COACBQVSFZBIOW-HSZRJFAPSA-N 476.602 5.160 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](CCC)c2ccccn2)ccc1Cl 729390140 TVWPKLGENIEDDJ-HSZRJFAPSA-N 484.021 5.388 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(C)c(C)c2)cc1 729668090 AIRJSIQAUKWPBN-UHFFFAOYSA-O 479.622 5.925 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 729668734 OFUKLHZRTXYDBZ-UHFFFAOYSA-O 479.622 5.826 30 20 JKED N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 729887233 TWPUQHZALHEPGU-NRFANRHFSA-N 451.917 5.488 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 730690223 QLPMEKZVPAZITP-LBPRGKRZSA-N 465.909 6.387 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccsc2)C1=O)Nc1cnccn1 730711011 WXQLWMHVQCNJDC-MRXNPFEDSA-N 492.413 5.005 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 731129653 ZIJQRRODOAXJOJ-HNAYVOBHSA-N 461.509 5.259 30 20 JKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 746664568 PGLUOFPORSVWCC-UHFFFAOYSA-N 466.397 6.176 30 20 JKED Cc1ccc(-c2ncc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)c(C)c1 747264360 SNSOCDSVXMJAIT-KRWDZBQOSA-N 451.523 5.058 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)c1C 747599142 GLDPBSWNBIFQNO-FQEVSTJZSA-N 486.569 5.199 30 20 JKED CC[C@H](C)n1c(SCC(=O)N2CCSC2=Nc2ccccc2OC)nnc1-c1ccccc1 749786828 XZRMFWINPQAGSP-KRWDZBQOSA-N 481.647 5.280 30 20 JKED COc1ccc(-c2nc(/C=C/C(=O)c3ccc(OCC(=O)Nc4ccccc4)cc3)cs2)cc1 797125447 QZEONZAHNRLCSB-LFIBNONCSA-N 470.550 5.732 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 837781450 ZWUACKVXYOTSAX-CJAUYULYSA-N 498.583 6.095 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837839279 UGHAHMZAOWUKMM-HTAPYJJXSA-N 489.557 5.020 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 914691556 QJXYWNSBVYODJS-SPLOXXLWSA-N 487.503 5.288 30 20 JKED CCOc1cc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)ccc1OCCn1c([N+](=O)[O-])cnc1C 915114215 GZFGOBVNCDLCDT-LUAWRHEFSA-N 474.517 5.263 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)cc1F 915115946 AUMIGPYTRIWDRW-JOCHJYFZSA-N 481.524 5.134 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 915293547 QVGKDNAHVHSFJV-IBGZPJMESA-N 483.265 5.107 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccccc1Br 916272553 BHPDZBBSCJEJPG-UHFFFAOYSA-N 458.768 5.732 30 20 JKED CCOc1c(Cl)cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1OC 916277043 QSFIREALBTVBDZ-UHFFFAOYSA-N 457.770 5.484 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 916284132 NBPISEVFXGKGNA-UHFFFAOYSA-N 453.571 5.177 30 20 JKED CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ccc(OCC(=O)N2CCCCC2)cc1 916318645 WBIVMZWRDCSBDN-UHFFFAOYSA-N 455.773 5.269 30 20 JKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1csc(-c2cccc(Br)c2)n1 916345101 VCWQJIUJJOIANJ-UHFFFAOYSA-N 476.812 5.655 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 916906807 UIHRPTBYBAKXEF-OAQYLSRUSA-N 473.492 5.150 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916911701 WKRXRLNGTHFUIW-SFHVURJKSA-N 458.823 6.112 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916913340 PSOCYBWBLSJOGY-KRZKXXONSA-N 454.370 5.647 30 20 JKED CCN(Cc1ccccc1)c1ccc(C=Nn2c(S)nnc2-c2ccc(OC)cc2OC)cc1 917029873 MWNYLDNFPBTBRU-UHFFFAOYSA-N 473.602 5.160 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042569 GCIFCIFKVMCHTM-XHDPSFHLSA-N 481.496 5.391 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(-c2ccc(OCC)cc2)c1=S 917457306 GAJOUBPCCJGDCF-UHFFFAOYSA-N 484.629 5.605 30 20 JKED COc1ccc(N2C(=O)/C(=C/Nc3cccc(OCCCC#N)c3)c3ccccc3C2=O)cc1OC 917603337 RHGZBXKCTPUDMW-HKOYGPOVSA-N 483.524 5.026 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2cccc(C(C)C)c2)cc1 917616324 XCWAZPCIGIVVKI-UHFFFAOYSA-O 474.650 6.144 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)SC2=Nc2ccccc2C)n1 917661258 ABPXFJMIKAZGNY-OAQYLSRUSA-N 497.983 5.046 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)c1OC 917675109 UVJLAMDTDRUVMA-QFIPXVFZSA-N 493.560 5.003 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)cc1 917876622 OKAXNJVNHOXNOA-UHFFFAOYSA-N 478.892 5.001 30 20 JKED CCc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3cccnc3Cl)=C2C)cc1 918031949 BFGSAOVFJIKQFH-HSZRJFAPSA-N 488.016 5.518 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1 918034685 VGLXMFQAOSTXFN-SANMLTNESA-N 452.558 5.792 30 20 JKED C[C@H](Cc1ccccc1Cl)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 918580020 BNQGQLVOFVLCDA-QGZVFWFLSA-N 463.990 5.303 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccccc1OCC#N 919987444 GRYMOHQSCZCSAF-HSZRJFAPSA-N 472.526 5.424 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920110135 LPDUJXAGUBROAP-QGZVFWFLSA-N 476.360 5.642 30 20 JKED COc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)ccc1C 920168360 LJNMRFCEMQSIFZ-XMMPIXPASA-N 484.581 5.036 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H](C)c2ccc(C)s2)C1=O 920170891 QHIDYRFSSGRCTQ-LRDDRELGSA-N 469.604 5.200 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CCC2)cc1 1786366611 IUJKVYWZYBEOAT-UHFFFAOYSA-N 493.007 5.461 30 20 JKED Cc1cncc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c1 1786856950 GFDZZPRHJNFSST-UHFFFAOYSA-N 472.976 5.296 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)COCc4ccccc4)cc3)CCC2)cc1C#N 1787894208 QMRMMTKPNREUOR-UHFFFAOYSA-N 497.595 5.310 30 20 JKED Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)/C=C/C(=O)c5cccs5)cc4)CCC3)c2[nH]1 1788649709 RYWLXLYBLBIRSK-OUKQBFOZSA-N 483.593 5.725 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@@H](C)N(C(=O)OCc4ccccc4)C3)cc2)CCC1 1789215913 HPQQOPRGZFKWHT-FYYLOGMGSA-N 489.616 5.134 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cn5cc(F)ccc5n4)cc3)CCC2)c(Cl)c1 1789292094 PLXSNLARXKAKPM-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3occc3Br)CCC2)cc1 1789454285 UVWQUURRMPYSQF-SFHVURJKSA-N 457.368 5.558 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1789495370 CVKQFCSEPYWOKZ-QHCPKHFHSA-N 477.992 5.209 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3[nH]cnc3-c3cccnc3)CCC2)cc1 1789508015 ASZXIDWIEFFCRN-UHFFFAOYSA-N 499.691 5.271 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4F)CCC3)cc2)c(C#N)c1 1790474671 UCIWCSAMENPYLI-UHFFFAOYSA-N 496.542 5.178 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4cc(C)ccc34)CCC2)cc1 1790513856 WPRHSLWJQBYRRD-NTUHNPAUSA-N 485.584 5.133 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C)CCC2)cc1 1790519957 PAKHDKOKVYCIMS-HXUWFJFHSA-N 498.649 5.059 30 20 JKED CCOc1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)c1 1790521117 MDVPCPNPCOOEFQ-UHFFFAOYSA-N 471.532 5.086 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C45CC(C4)C5)CCC3)cc2)cc(C(F)(F)F)c1 1790787310 DDQVDPJLAPHAEA-UHFFFAOYSA-N 453.464 5.125 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5ccoc5c4)cc3)CCC2)c(C#N)c1 1790892299 FKLBRJZFPWIWNW-UHFFFAOYSA-N 479.536 5.303 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@](C)(OC)c1cccc3ccccc13)C2 1792573398 RUAFPLZFJIGACT-CPVANYHMSA-N 462.634 5.332 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1c(Cl)cc(Cl)cc1Cl 1792868140 MORYFUCAWKKVDW-XMTFNYHQSA-N 485.839 5.432 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3occc3n1-c1ccccc1)C2 1798592644 UBUBZIUPMNYWGG-QQFNCUIESA-N 459.590 5.468 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1)c1ccc(O)cc1 1799328244 AOLXATMJSMFROR-PSWRPDDJSA-N 490.987 5.241 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(OC)ccc1NC(=O)OC(C)(C)C 1800509198 FEXRBTOFZYOFNK-WKCHPHFGSA-N 497.636 5.062 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)CC1 1801816624 RLXPPPKTGRUEFD-ALNZIZNGSA-N 475.555 5.435 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1802493934 ZTKDZUJKRGINBF-BLQJKXSGSA-N 451.636 5.245 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)[C@@H]1c1cccnc1 1802501333 XFPZUUHCNITZGQ-ILBGXUMGSA-N 472.589 5.049 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1803086955 PVCHAHZJQNYDNT-BWKNWUBXSA-N 477.992 5.569 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1803092061 UEXYREOWULPNDX-LITSAYRRSA-N 495.623 5.962 30 20 JKED Cc1c(Br)cc(F)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1 1803680468 FRXKTYOYEVODBF-MSPZUWAUSA-N 498.396 5.089 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 1804617370 GRLFCQCHWGHIAU-BUUPBASBSA-N 489.701 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-n4cccn4)cc3Cl)CC2)C1 1804866714 KSIKXFOOGIVSKO-UHFFFAOYSA-N 483.056 5.363 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCCN(Cc4ccccc4)C3)C2)CC1 1806571859 NOZJOYRMMIUTTQ-AREMUKBSSA-N 479.709 5.122 30 20 JKED Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)cc(C(F)(F)F)c4)CC3)C2)s1 1808097257 WZMYFVCUIAKRKO-UHFFFAOYSA-N 475.536 5.106 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1 1810297948 XEJFZZNQMNGJQQ-UHFFFAOYSA-N 479.024 5.063 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2C)[C@H]1c1cccnc1)c1ccccc1 1810446281 BABNIAQHGNGIQZ-WIRXVTQYSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810499187 VBSYEBJPJUBQNY-UKILVPOCSA-N 479.690 5.489 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810955843 NGJGMECXFJOTGV-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccnc1 1812024587 MYRKZSUHYRLUOU-ZCYQVOJMSA-N 463.622 5.182 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302580 ZVCPNXWRFPPKMR-LUPFDQBXSA-N 487.625 5.255 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1812498714 HZIWQXYHQVQOAU-WIOPSUGQSA-N 478.036 5.241 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1812671159 YHDOZPNSUAUGKE-RDGATRHJSA-N 493.529 5.419 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[C@@H]1c1cccnc1 1813060411 IGMACLFNTLAUGN-MSLLRLGPSA-N 475.539 5.175 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1813226386 ODILZJBOPRRBMM-GJZUVCINSA-N 482.024 5.035 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(Cl)cncc3Cl)n[nH]2)c1 1814366989 PAPZKUHTVMZRTE-XOBRGWDASA-N 497.386 5.358 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814413879 MGPVUCISDCGCCO-XSZPLVAYSA-N 473.602 5.508 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)[nH]n1 1814828982 IEGXSZNXYMWUKA-QHCPKHFHSA-N 460.578 5.003 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815536094 MRXJQPKEJCGOAM-XUBBYMEQSA-N 460.500 5.346 30 20 JKED Cc1csc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1815896101 ZSHYNHVKPWRHBP-OAQYLSRUSA-N 482.009 5.243 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)n[nH]1 1816279409 AFBCSUGSFDKAAS-KRWDZBQOSA-N 463.504 5.122 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)nn2-c2ccccc2)n[nH]1 1818139826 VTCZPANLKGORSE-JOCHJYFZSA-N 474.609 5.202 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc[nH]c23)n[nH]1)c1ccc(O)cc1 1818772759 KBRUKWAVOODWKU-OFVILXPXSA-N 495.583 5.100 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985207 SGBLSUVSYCHIIV-QUCCMNQESA-N 493.555 5.170 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccoc3c2)[nH]n1)c1ccccc1 1819517891 AQPJXQQGDFXZBT-XUZZJYLKSA-N 481.556 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1819555564 MFLVDHKJQLTDRV-LJQANCHMSA-N 453.974 5.233 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)nc3)n[nH]2)c1 1820036224 AFTYYMOPRHZGCT-AREMUKBSSA-N 490.567 5.272 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4cnccc4c3)[nH]n2)c1Cl 1820219141 KTABEJWNAMNPDR-QFIPXVFZSA-N 484.947 5.103 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)(C)C)cc3)n[nH]2)c1 1821149624 YYLBKEVAQMFGOW-KBMIEXCESA-N 499.615 5.834 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)[nH]n2)cc1 1821180587 YWFHYDRUXFQRIT-GPXNEJASSA-N 487.991 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)CC1 1824047669 WJKWJDMUOIZUHL-IXCJQBJRSA-N 473.661 5.556 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1824139325 LBHMCXPWXAZQDD-HHHXNRCGSA-N 474.645 5.607 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)sc2C1 1824825290 BLRUQHGVUMZTCK-XZOYJPPVSA-N 494.705 5.177 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)c1 1826401004 MDAHUHAHBIXZPT-NDEPHWFRSA-N 483.587 5.327 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)CC1 1826685778 XWNCZIWBSAXOMU-HSZRJFAPSA-N 468.041 5.075 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1826692294 KYDQTYHUIZTHBY-RUZDIDTESA-N 493.051 5.304 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccsc3)CC2)cc(C(F)(F)F)c1 1827167152 XYSBUYKDPUNROB-QFIPXVFZSA-N 489.563 5.115 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827520683 WURSVWWXZPIWFZ-QFIPXVFZSA-N 454.014 5.167 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4ccccc4o2)CC3)c1 1827698068 XWAXUYFOEXFDNX-HNAYVOBHSA-N 470.554 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828676417 ULFYUWMCJJXMGB-NFBKMPQASA-N 451.636 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1 1828820856 GMODWLZWXMLNEB-UPVQGACJSA-N 461.021 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 1828824197 FPYRCLMEBNXQMG-ISKFKSNPSA-N 492.689 5.515 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1828827577 XXNWIIRHVBEVKC-UYAOXDASSA-N 451.533 5.035 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc3cnccc23)CC1)c1ccccc1 1829032693 QSXPQNIVDUYDRC-YTMVLYRLSA-N 494.639 5.060 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976030 SXCMENBJUJJMLL-IERDGZPVSA-N 468.425 5.028 30 20 JKED COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1C 1830072244 RVOMXVZTJCTQSV-RLWLMLJZSA-N 473.617 5.178 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830532015 NKEIGIFOQBZMGI-QFIPXVFZSA-N 484.534 5.061 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536228 CTOAQMMQKPVIJT-NRFANRHFSA-N 466.519 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1 1830577939 DDGLPARNHWNXEC-BVZFJXPGSA-N 481.999 5.653 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(OC)cc2F)CC1 1830582472 AFXGNZHGZFHKJX-QFIPXVFZSA-N 462.581 5.199 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)S)CC2)c1 1830778500 XEAOWJVHNLUTQX-KKSFZXQISA-N 481.500 5.124 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830784272 HOTJOBZQFAMDCP-FGZHOGPDSA-N 481.464 5.108 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(F)(F)c2ccco2)CC1)c1ccccc1 1831143612 KVXOVIGSRHHUKL-RPWUZVMVSA-N 482.571 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831374533 FNZRPEAPQZIDDA-WNCULLNHSA-N 483.656 6.052 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 1831377428 GIAKZLLXPOWNID-ISKFKSNPSA-N 491.717 5.294 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1831849810 HPWZSNJMSGNZHQ-HSZRJFAPSA-N 473.539 5.224 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1831860553 DXGSPXODQCZWAE-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832627219 ADEOTPBDWNDLDZ-AVRWGWEMSA-N 481.999 5.653 30 20 JKED Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832629147 KPUSWTVZDAUJFW-QDPGVEIFSA-N 471.645 5.488 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3F)CC2)c1 1832633338 GSUPVSYYTGFYGU-HOYKHHGWSA-N 465.544 5.139 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1832666570 YKTPWSRSVKAPOB-QHCPKHFHSA-N 480.008 5.076 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3OC(F)F)CC2)c1 1832675555 LPTOUEAPCJDWCK-XMMPIXPASA-N 495.570 5.026 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705234 PAUXIWVFFIFEER-VQTJNVASSA-N 474.564 5.032 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CCC1 1832714460 DGMWCQVVLVRSCL-HXUWFJFHSA-N 466.384 5.060 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832995894 BQQKFCRNTZDNMJ-LXFBAYGMSA-N 476.661 5.292 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1838373588 XXVSTUQXODUAKF-XMMPIXPASA-N 480.674 5.590 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CC2)CC1 1838678508 NXMYBORJVSOZKC-UHFFFAOYSA-N 494.720 5.697 30 20 JKED C=CCSCC(=O)N1CCCC12CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1841884788 UQLVMOUZGWKKGT-UHFFFAOYSA-N 480.596 5.489 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Oc4ccccc4)cc2)C3)c1 1846830746 ZENXFRLTKCJCEP-OAQYLSRUSA-N 465.553 5.237 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(OC(F)F)cc1 10172792 KDUWGWJAIVWYMP-UHFFFAOYSA-O 469.577 6.114 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)nc2ccccc21 10237920 OJSHDCUZLNJBAY-GOSISDBHSA-N 486.597 5.603 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)cc1C 11113414 GOXAIHPILWCKGT-UHFFFAOYSA-O 473.590 5.971 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(C)c2)c1C 11157421 MKJTYGBPTVKJOS-UHFFFAOYSA-O 490.527 5.084 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccc(C)c1 22212607 NYKIWQQIQMDBJX-FQEVSTJZSA-N 454.599 6.226 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c1 22729731 LAXUAHHAZIIULY-UHFFFAOYSA-O 451.562 5.799 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730465 SCQOSVDCZQHHAB-UHFFFAOYSA-O 455.578 6.063 30 20 JKED O=C(/C(=C(\S)NCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)CCC2 22730800 AWGJQBMNRCTICG-UHFFFAOYSA-O 477.653 5.782 30 20 JKED CC(C)(C)c1nc2cc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccc2o1 25302326 RYHNWKICFOIXOU-UHFFFAOYSA-N 459.506 5.100 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 32503707 YURCKINFZGHBLE-UHFFFAOYSA-N 464.971 5.170 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(CCC)CC(F)F)c1 68804171 RESPGIZNXNSCRC-UHFFFAOYSA-N 490.494 5.204 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)n2C2CCCCC2)cc1OC 71798017 RTKRFEOAMKXRML-JOCHJYFZSA-N 462.619 6.003 30 20 JKED N#Cc1cn(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)c2ccccc2c1=O 110653204 HFMKCGJXKUEDLX-HLWWKESBSA-N 498.586 5.696 30 20 JKED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 208021823 YAEODLGQMQEPNG-TWGQIWQCSA-N 455.264 5.472 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 302949410 CNQSMEGJLLDEPO-UHFFFAOYSA-N 454.979 5.012 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 302982681 JUDZTKWULSZWOW-UHFFFAOYSA-N 468.344 5.406 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 481200130 OUYHFFKONRNNBN-UHFFFAOYSA-N 466.516 5.372 30 20 JKED CC(C)[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)S(=O)(=O)C1CCCCC1 482812996 OMNHASDGNSOGMA-VWNXMTODSA-N 473.038 5.706 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1Cl 483188767 GRKLJEMJDCUYCE-HNNXBMFYSA-N 491.444 5.758 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C(F)(F)F 486048415 XSQAWFBQFQWFGV-UHFFFAOYSA-N 456.468 5.554 30 20 JKED CCOC(=O)c1sc2ccsc2c1CNC(=O)c1ccc(COc2ccccc2C#N)o1 500106291 ZRWNSTYSFUNZKM-UHFFFAOYSA-N 466.540 5.113 30 20 JKED C=CCN(C(=O)c1cc(C(C)C)nc2ccccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 500509874 HXUZBIWALVZJCN-UHFFFAOYSA-N 491.638 5.718 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)CCc2ccccc2)c1 500909174 RRRCFLIXASZUKY-UHFFFAOYSA-N 483.033 5.426 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccnc(Oc4ccc(F)cc4)c3)c2)c1 502927854 ZMTHZNFKCXUNHT-UHFFFAOYSA-N 481.487 5.459 30 20 JKED N#C[C@H](C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nc(-c2ccc(Cl)cc2)cs1 503584232 CQKGQKBIWPGFQF-OAHLLOKOSA-N 465.943 5.806 30 20 JKED C[C@H]1CCc2c(sc3nc(SC[C@H](C#N)CCC#N)n(CCc4ccccc4)c(=O)c23)C1 508372112 WYHBHFVJCNLPRY-HKUYNNGSSA-N 462.644 5.361 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)ccc2C)cc1 509563998 KEUKGVZKWKQVJJ-UHFFFAOYSA-N 463.559 5.015 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 511781265 LVMNLBBBQCEFNX-VWLOTQADSA-N 453.542 5.289 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2csc(Br)c2)nnc1-c1ccc(Cl)cc1 512744027 LBRONXFMFPEXLJ-UHFFFAOYSA-N 497.871 5.359 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 513655669 SXCKRLJIBQDJPU-HXUWFJFHSA-N 453.523 6.123 30 20 JKED C=CCn1c(SC[C@H](O)Cn2cccn2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 513956733 ILLOVTNBNSAAGH-OAQYLSRUSA-N 482.613 5.004 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1Cl 515131449 WJQBWUQVUUOFGF-FQEVSTJZSA-N 490.903 5.230 30 20 JKED Cc1cnn(-c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc2)c1 515426860 YPVWLXLUALTYQU-UHFFFAOYSA-N 467.476 5.371 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)c1C 516402063 MTQTZUYCAZGQNW-UHFFFAOYSA-N 463.559 5.039 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 519451154 RNEAIMRTUPNXTC-CTNGQTDRSA-N 467.635 5.975 30 20 JKED C=CCN(CC(F)(F)F)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 519902555 OFNQSSFBJRWRNO-FOWTUZBSSA-N 461.465 5.712 30 20 JKED Cc1cc(Sc2nnc(-c3ccncc3)n2CC(F)(F)F)n2c(nc3ccccc32)c1C#N 520103086 JKWLZTZFAGELHF-UHFFFAOYSA-N 465.464 5.035 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2C#N)C(C)(C)C1 520165763 ILASGFRYJFOETL-PLNGDYQASA-N 479.587 5.511 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)cc2Cl)c1 520911789 IXKCKOSYXOQTTG-SANMLTNESA-N 473.960 5.483 30 20 JKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 521328062 GHCZNRJMJZMUKX-MRXNPFEDSA-N 469.563 5.273 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)cc1 523841550 JTCMIRYLEQZSKJ-XCRWMPKNSA-N 496.611 5.559 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)n(-c2ccccc2)c1C 590616078 PRAVTYRGYNCRDJ-UHFFFAOYSA-N 493.976 5.312 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)CC2)cc1 591845958 WXUJHJKGLPARBL-UHFFFAOYSA-N 485.975 5.005 30 20 JKED Cn1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 602754828 BKDWJCPYSVDZBT-XMMPIXPASA-N 473.458 5.749 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1Cl 603758902 OAUWKJDLGISDOC-NOZRDPDXSA-N 483.955 5.568 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(OCc2cccnc2)cc1 603815984 JVFKASOQDDPZJH-QFIPXVFZSA-N 492.579 6.188 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12 603897410 FLKFBWLVKZHTMJ-UHFFFAOYSA-N 471.483 5.437 30 20 JKED CCCOc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cl 603993788 QTWFSOARTPKGQQ-UHFFFAOYSA-N 454.914 5.104 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1cc2cc(Br)cc(Br)c2o1 608882129 FBDJXPKVZZWDQS-UHFFFAOYSA-N 479.128 5.288 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)cc2)c1 609077224 GQBUKRUTAROZAE-UHFFFAOYSA-N 475.957 5.374 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 609078502 UZLYRQIONVQSBV-VWLOTQADSA-N 485.975 5.744 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 609085229 LDPMNCKSQPSTLQ-SANMLTNESA-N 499.567 5.491 30 20 JKED C[C@@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087040 POWDHFAJQNYPNC-INIZCTEOSA-N 465.912 5.088 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2C(F)(F)F)cc1 609177467 WWARUUJVAAZLLX-UHFFFAOYSA-N 462.431 6.116 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609438593 QCENUPVCJJKUOE-INIZCTEOSA-N 467.447 5.527 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 614381755 XWQIWRMRELMXLC-CQSZACIVSA-N 481.858 6.005 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622092951 OWFPXLHVRZWQFP-RYUDHWBXSA-N 462.837 6.310 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 644486197 ULPPVOIMKZMPAO-UHFFFAOYSA-N 498.935 5.003 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2ccc(-c3cccc(Br)c3)o2)c1 725847815 RLYVIDYENGCONJ-UHFFFAOYSA-N 485.363 5.059 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CC(F)(F)F)c1cccs1 726414254 AJNACNKFQJHNFG-GFXGYFCFSA-N 493.935 5.493 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(OC(C)C)cc1 726416183 SDWZPBAUVUZTAY-QFIPXVFZSA-N 469.607 5.243 30 20 JKED N#Cc1ccc(NCCNC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)nc1 726848312 GVYWROSKSHBLHS-UHFFFAOYSA-N 488.935 5.074 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cc3ccccc3[nH]2)cn1 726890448 WIBMCHXOLJQYLV-HSZRJFAPSA-N 499.596 5.040 30 20 JKED C[C@H](OC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 727887803 UZPACLJBFBECRP-AHKFDXCISA-N 450.560 5.013 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 728427895 UVHUVPXGEKIWGZ-HXOBKFHXSA-N 487.560 5.122 30 20 JKED C#Cc1cccc(N(C)C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)c1 728536682 XEQWGUOMOVDACV-UHFFFAOYSA-N 451.295 5.098 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1Cl 728777733 NILYIPIEXDQALW-HSZRJFAPSA-N 491.016 6.147 30 20 JKED C=CCN(C(=O)c1cc(F)c(Cl)nc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 728801583 AQKWAHGMKHPSMU-UHFFFAOYSA-N 453.282 5.392 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1F 730533631 AVMZDWOFORBTNA-QGZVFWFLSA-N 466.365 5.564 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccccn3)C2=O)c1 730536781 ORLNTLBNGRGBBB-QHCPKHFHSA-N 476.577 5.306 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730713480 SOJNBMUZEYYOFW-FQEVSTJZSA-N 468.966 5.105 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3cccnc3)C2=O)cc1 730942322 MPVIGOKXQPGSBX-CVDCTZTESA-N 458.587 5.420 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N2CCC(=C)CC2)ccc1Cl 731052499 UBYVRAAINMJULV-UHFFFAOYSA-N 465.402 5.167 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731061428 CGCRAVDYFDNEBV-CQSZACIVSA-N 486.018 5.819 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Br)cc1Cl 731074830 SAUHYOWDICJHTL-GFCCVEGCSA-N 467.772 5.150 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 731114316 NNUZPAYFENLEID-HYBUGGRVSA-N 497.668 6.439 30 20 JKED Cc1ccc(F)c(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cccc(C)c2)c1 744114490 GEBSSTCUQTYLMD-UHFFFAOYSA-O 478.613 5.850 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744935911 IYTCTZHJCBTKDX-MRXNPFEDSA-N 472.397 6.203 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(C[C@H]2CCCO2)c1=S 746056296 YLYFOYLOCVKAID-OAQYLSRUSA-N 467.664 5.309 30 20 JKED COc1ccc(-c2nn(CN(C)C[C@H](C)C#N)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 746705882 CWMFYYJRIOYVNL-OAHLLOKOSA-N 461.513 5.147 30 20 JKED COc1ccc2c(c1)OC[C@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)C2 747560717 FSKPTPWGPOPCTP-CXAGYDPISA-N 459.354 5.553 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2nccs2)cc1 747601066 DGCPWHTVEJTLGU-NRFANRHFSA-N 494.642 5.053 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(N5CCOC5=O)cc4)c23)cc1 748582691 IQKVPQLTLBZHSD-UHFFFAOYSA-N 459.531 5.160 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(-c2ccoc2C)n(C)c1=S 749246631 UDGPYWYGERNAAB-UHFFFAOYSA-N 451.365 5.067 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(CCc2ccc3ccccc3n2)C1=O 750912825 XVXGQRNJUKAKLP-SANMLTNESA-N 494.620 5.212 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(-c3cccs3)n2)n(C2CCCCC2)c1C 762233713 JOHXPVAUIDZIDB-UHFFFAOYSA-N 482.631 5.391 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CC(F)(F)F 799210459 AFDOVEZQZHTFSA-MRXNPFEDSA-N 455.889 5.171 30 20 JKED Cc1nc(NN=C2C(=O)Nc3cc(Br)ccc32)c2cc(-c3ccccc3)sc2n1 812394012 VWLWYQYGFKSZNG-UHFFFAOYSA-N 464.348 5.198 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 837532044 KATHEZLBYNECHE-FOIQADDNSA-N 499.423 6.110 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccc3F)C2=O)c(OC)c1 837540807 OCDZHJZUYPBDEJ-QHCPKHFHSA-N 493.560 5.003 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC)CC(C)C)ccc1Cl 914509896 HGZIDQWUUOFPND-UHFFFAOYSA-N 469.434 5.493 30 20 JKED N#CC(CCOC(=O)[C@H]1CCCCN1C(=O)c1cccs1)(c1ccccc1)c1ccccc1 914900883 NNXRPFGNGFAPFA-HSZRJFAPSA-N 458.583 5.186 30 20 JKED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102762 GQWGNGLMLBLHBN-AWEZNQCLSA-N 487.336 5.603 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2Cl)cc1 915107345 QVMPQUOWLSQYAP-MRXNPFEDSA-N 453.880 5.437 30 20 JKED CC1(C)C[C@@H](NC(=S)Nc2ccccc2C#N)C[C@](C)(CNC(=S)Nc2ccccc2C#N)C1 915995800 YNJQTPACZBEHAS-IBVKSMDESA-N 490.702 5.288 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C3/CSc4ccc(F)cc4C3=O)cc2OC)o1 916128626 RKSMNLKCPJYQLV-DHDCSXOGSA-N 454.475 5.165 30 20 JKED COc1cc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc(OC)c1OC 916137836 FJWYUGLGGMRMHS-YFHOEESVSA-N 486.351 6.168 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(F)c(Cl)c1 916205468 ONVRTUKOBFUCIJ-FQEVSTJZSA-N 493.988 5.257 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CCCC2)C1=O 916212439 MYMOPAJPMQUQQE-HXUWFJFHSA-N 457.983 5.252 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2C2CCCC2)cc1 916213714 FVBYRLDMZKNPLB-QHCPKHFHSA-N 497.617 5.005 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 916310789 JYRZUYNKWNIXJL-UHFFFAOYSA-N 498.995 6.221 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3cccs3)o2)c(Br)c1 916314074 NPGGOTGNPAWZDX-UHFFFAOYSA-N 476.337 5.108 30 20 JKED O=C(OCc1nc(O)c2ccc(C(F)(F)F)cc2n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916597932 YXDWWVFBMBBWSG-UHFFFAOYSA-N 484.274 5.749 30 20 JKED Cc1csc(SCc2c(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)oc3ccccc23)n1 916848284 JAWACTUNPBQVCX-SFHVURJKSA-N 455.564 6.528 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1 916900159 NBKKWJRPJUSXRX-CQSZACIVSA-N 453.753 5.634 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916903518 SYUJPWBZUNJYQD-NFBKMPQASA-N 488.927 5.072 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 916924389 CLPJSDCQIUMUGB-MRXNPFEDSA-N 459.354 6.082 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cc1Cl 916938731 CLNDZEXEVVWERA-MRXNPFEDSA-N 475.954 5.356 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@H](C#N)c4nc(-c5ccccc5)cs4)cc3)ccc12 917026320 YVDXRTWAQFXVIE-DEOSSOPVSA-N 492.556 6.294 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043802 OTSJXDKXLXRJFB-SFHVURJKSA-N 454.477 5.537 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cn2)c1 917371912 LDLHIVTUQSGJMM-UHFFFAOYSA-N 492.384 5.031 30 20 JKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OCc1cccs1 917598754 XHGRHRKRXAWBEV-FYJGNVAPSA-N 450.585 5.844 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(Cl)s1)[n+]1ccc(Cc2ccccc2)cc1 917613049 KARITYHSOKSDPQ-UHFFFAOYSA-O 489.045 6.475 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)cc1OC 917663000 JXJRZULAURANSV-NRFANRHFSA-N 499.589 5.065 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(CC2CC2)CC1 917686903 GJKGVZFFOQTMEG-RUZDIDTESA-N 490.673 5.084 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3OC)N(Cc3ccsc3)C2=O)cc1 917694414 HOCDMBWLSFZIND-JOCHJYFZSA-N 495.626 5.316 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1OC 918095760 IUMNRPBRVLPSRB-XFFZJAGNSA-N 452.894 5.411 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)c1ccco1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 918492431 RXWUXEXLNNAKHX-XDAHFPJKSA-N 463.603 5.075 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Cl)c3cccnc23)n(C2CCCC2)c1C 919260302 HWEBYUBINBFPBU-UHFFFAOYSA-N 450.926 5.089 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)c1 919907319 NFXFPJOSPVTXDI-ZUSYLBMNSA-N 476.602 5.022 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)cc1F 920355048 HKDJJLPERZDHNM-NRFANRHFSA-N 484.528 5.039 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920356566 QGBHPVXRESVEPQ-NRFANRHFSA-N 482.993 5.359 30 20 JKED CCCN1C(=O)C(=NN=Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)c2ccccc21 920364739 ZQUQKHWROUQXHU-UHFFFAOYSA-N 499.518 5.426 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc(-c2c(F)cccc2F)cs1 920804256 NCXBDVHAMBYKLA-AWEZNQCLSA-N 471.941 6.284 30 20 JKED CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCC(F)(F)CC1 1287605332 ISSAFVYHSYBHMX-UHFFFAOYSA-N 483.567 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3-c3ccc(C)cc3)CCO2)C1 1779244697 UQYAUWGKSFFGJH-LJAQVGFWSA-N 460.618 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)C2 1779511554 NHAVIGHVTDBTEB-ZTCQUFLUSA-N 458.687 5.099 30 20 JKED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)C2)C1 1780170962 OWRBVKICKRWNHE-BCHFMIIMSA-N 492.582 5.409 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)cc1 1785795745 AHHKDNPJOJMHFA-UHFFFAOYSA-N 474.564 5.487 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c(F)ccnc4Cl)cc3)CCC2)c(Cl)c1 1786990980 ZWAAHYRAPSGSIM-UHFFFAOYSA-N 483.330 5.461 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)c(O)n1 1787173403 QPYHJYPJIXKNPW-UHFFFAOYSA-N 486.597 5.282 30 20 JKED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1(c2ccc(NC(=O)C3=CCCC3)cc2)CCC1 1787623280 OGYAHFYEQKYCTL-RUZDIDTESA-N 487.600 5.102 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(Br)nn(C)c5c4)cc3)CCC2)C1 1788496249 UPMNYHAELNSPGA-UHFFFAOYSA-N 493.405 5.050 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnn5c(-c6cccs6)ccnc45)cc3)CCC2)C1 1788499829 KHEMZCPVFHQYJJ-UHFFFAOYSA-N 483.597 5.172 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc4ccsc4[nH]3)CCC2)cc1 1788650015 PRGGYCSSNRYVAR-CMDGGOBGSA-N 475.595 5.478 30 20 JKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)ccc2n1 1789577817 LFCAQWGRBHGILX-STBIYBPSSA-N 466.541 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3-c3ccc(C)cc3)[C@H]2C1 1790182092 BFJVOWYFZOPOMN-JZTSUELASA-N 472.629 5.024 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCSCc3ccc(C)cc3)CCC2)cc1 1790569872 LZIRPCPKPNCLOR-OAQYLSRUSA-N 481.662 5.553 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccnn45)cc3)CCC2)c1 1790848510 GHHOMHUGRKLNIM-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nc4ccc(O)cc34)CCC2)cc1)C(F)(F)F 1791303147 NFECOUZBHSJEMS-UHFFFAOYSA-N 469.463 5.115 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Br)cc3)cc2)CCC1 1791459098 HROXPCIYQTUQKK-XPUDNMOSSA-N 498.421 5.397 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)CCC2)cc1 1791573203 AFHDGHNGKXNDFL-AWEZNQCLSA-N 488.535 5.162 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CCc3cncc(C(F)(F)F)c3)cc2)CCC1)C(F)(F)F 1791772847 ZVPLOBWBOIKIQX-UHFFFAOYSA-N 485.428 5.286 30 20 JKED Cc1cc(C)n2ncc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@H](C)C#N)c5)cc4)CCC3)c2n1 1792123476 CZOWIAQHABRAOC-GOSISDBHSA-N 492.583 5.035 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)cc1C#N 1792168933 PJWVJNPDBCDYBP-UHFFFAOYSA-N 477.948 5.653 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1 1792171136 BWJAFVAOTYVHBB-OAHLLOKOSA-N 479.474 5.393 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)cnc3s1)C2 1798338020 NNTGWJMBYXCTOH-FCGDIQPGSA-N 488.451 5.079 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)c1 1801459327 KYVBZDIQANZFOR-PKWKGPSUSA-N 497.561 5.474 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1802381058 GLBZBFCQYAWZCJ-CCNCKIRNSA-N 494.639 5.032 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)sc1Cl)C2)c1ccc(O)cc1 1802419927 VHBZXXGXYZKTIR-FJIDUMEYSA-N 491.440 5.210 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1803090562 VDVHMQXLLKRDQW-XCZPVHLTSA-N 491.701 5.488 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1808594183 GMBAINQNKYXNEW-LEAFIULHSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808828577 NKDDZYZMOMUCCK-VWNXMTODSA-N 488.657 5.517 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808828767 WECGPEGLKILPRN-ZCYQVOJMSA-N 486.641 5.293 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1809783621 YJEJCVGVCJMTRR-PXDATVDWSA-N 463.647 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@@H]1c1cccnc1 1810171996 MKIFZYBNKGUMGF-BOCWGRARSA-N 494.639 5.540 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)CCC2CCCC2)[C@H]1c1cccnc1 1810275197 SEURYIOCKXWYTM-IGKIAQTJSA-N 467.730 5.109 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1c1cccnc1 1810497902 JCGXRRPXLNBHSR-CYFREDJKSA-N 462.569 5.014 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811538094 HZCRINVLCZYQMN-JYFHCDHNSA-N 489.566 5.588 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1812671158 YHDOZPNSUAUGKE-RCZVLFRGSA-N 493.529 5.419 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1812697254 PEKPFTUCLVJRTI-XZOYJPPVSA-N 467.013 5.143 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813051873 XLSBARZCGVWQRY-AOMKIAJQSA-N 478.807 5.165 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1814744415 YJNUYIJAPQFHOI-OAQYLSRUSA-N 472.932 5.167 30 20 JKED Cc1cccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)c1 1816923645 XOUNBHDGCFVVQM-QFIPXVFZSA-N 495.505 5.157 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccccc2)n[nH]1 1816953392 LTHCDSYBQMIQSC-JOCHJYFZSA-N 482.726 5.245 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1818800313 HTFXKINJKYSXCK-YADARESESA-N 487.629 5.443 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)Sc2cccs2)n[nH]1 1819254342 PJZMRIGVRVLTTG-VQIMIIECSA-N 458.653 5.413 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)[nH]n1 1819386806 JRBKUJZIYWGGOI-DEOSSOPVSA-N 489.696 5.177 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)[nH]n1 1819552843 FRISEPGCQXGDLG-SFHVURJKSA-N 475.037 5.313 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c(F)c1 1820220943 JOMRXRLPYQHTHY-HXUWFJFHSA-N 465.916 5.002 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)[nH]n2)c1 1820308613 UUFYQMIYLRKYGU-DEOSSOPVSA-N 480.528 5.021 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)(C)C)cc3)n[nH]2)c1 1821149623 YYLBKEVAQMFGOW-DFBJGRDBSA-N 499.615 5.834 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277871 MBSSRIYZNOHKPU-LAUBAEHRSA-N 451.958 5.009 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)[nH]n2)c(Cl)c1 1821278823 XVBUILVMIPVZCL-JOCHJYFZSA-N 490.926 5.175 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)n[nH]1 1821338842 AUFHXXPPJRKDKX-SFHVURJKSA-N 465.381 5.386 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[nH]n1 1821986887 RDIKDYZCVXKVQD-LMMKCTJWSA-N 462.928 5.070 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1)C(F)(F)F 1821992362 ONIPGQXPCFWQKX-OAHLLOKOSA-N 466.460 5.188 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)[nH]n2)c1 1823210746 HRQFUBMTOATOJL-KKSFZXQISA-N 469.536 5.168 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(C)c1 1823216079 ABBLPNYRBDEJOV-NTKDMRAZSA-N 485.588 5.282 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216218 DVDKTNNODONSRW-MHECFPHRSA-N 473.552 5.033 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OCC4CC4)cc3)n[nH]2)cc1 1823268904 SZFZOTUKSAEALU-AREMUKBSSA-N 497.599 5.009 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)[nH]n1 1823420117 PIKSBVOLSVKYKA-NRFANRHFSA-N 479.378 5.045 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1824143347 KUHCUCZBODZEOR-XMMPIXPASA-N 487.648 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1 1824642050 LDQNQNGBBYBOKD-PSZRBTJDSA-N 487.566 5.280 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1824808187 AVDCLWXSGCMBOD-WXVAWEFUSA-N 487.644 5.107 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC(F)(F)F)CC2)c1Cl 1824875486 NUWOZYHWBHCPPV-IBGZPJMESA-N 469.935 5.178 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)CC1 1827416251 IPYRSMHLSDDOEP-OAQYLSRUSA-N 453.583 5.160 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c2O1 1827516308 RNIJWCCUBSSSBI-AREMUKBSSA-N 485.628 5.209 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c(Cl)c1 1827773904 NFAGXZMNRWZHBT-NRFANRHFSA-N 492.929 5.106 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(c3)CCCC4=O)CC2)c1 1828246190 SKCSMDSCRGXQLR-RBTNQOKQSA-N 497.639 5.380 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1828397284 MOCWRYNQGQCIPS-GVAUOCQISA-N 473.057 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828414767 IQFYVDXIJXFKES-RDPSFJRHSA-N 456.593 5.516 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2noc(-c3ccccc3)n2)CC1 1828826871 DOKDRVUUIMXZKD-LOSJGSFVSA-N 490.648 5.057 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2cnn3C)CC1)c1ccccc1 1829033417 WSSYLDFXTRCIOC-LSYYVWMOSA-N 496.655 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2Br)CC1 1829345945 MRMBETAGKOTDAO-FQEVSTJZSA-N 476.459 5.070 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)cc1 1830016023 AKSRUJZCXPVVHL-HSZRJFAPSA-N 488.390 5.551 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1830102802 JEWPXCWRIMMXRW-DFHRPNOPSA-N 487.644 5.650 30 20 JKED C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830360151 GVOGPTSQINBTHM-JIPXPUAJSA-N 475.608 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1830399085 WYEOQCATLAUHEY-DHIUTWEWSA-N 491.717 5.292 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3F)CC2)c(Cl)c1 1830722209 FCGBSBIKIOSNDX-QFIPXVFZSA-N 471.935 5.037 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831297781 PTAYTVSZNFGRKQ-QHCPKHFHSA-N 462.556 5.061 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1)C(F)(F)F 1831745189 NAZTYEQYDNFXQA-JOCHJYFZSA-N 482.612 5.357 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1832623557 MKLGJCYNFRBLOT-NIYFSFCBSA-N 479.571 5.447 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1832627315 BEQXRDFACZKIFC-SKCUWOTOSA-N 482.628 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3F)CC2)c1 1832628755 AACQVEUAOIMXSX-VGSWGCGISA-N 453.583 5.061 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C#N 1832703166 FWXOKPQOSJCRRR-VWLOTQADSA-N 477.580 5.032 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1834460171 ZLJGQKPPOYIZTG-FIPFOOKPSA-N 479.709 5.156 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C(C)(C)C)s3)CC2)CC1 1835816088 SYMCTTUIGVOWEA-UHFFFAOYSA-N 473.727 5.223 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccc3c(Br)cccc3c1)C2 1841319229 KLCKIUZDJKJOFV-UHFFFAOYSA-N 467.407 5.188 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 8936679 MRHVEVKWMNJVTA-PUAOIOHZSA-N 492.626 5.242 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccc(C)cc1C 10168413 KODZWWKFEJIVLM-UHFFFAOYSA-O 465.642 6.871 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2ccccc2CC)cc1 10173438 GMWZFPJVBVEAHH-UHFFFAOYSA-O 465.642 6.817 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccncc4)n3C)c2C#N)C1 10678334 VHJPCEMFMCVTPW-MRXNPFEDSA-N 480.663 5.082 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(CC)cc2)cc1 11250325 DDOAYNRLTUNVGZ-UHFFFAOYSA-O 467.998 5.418 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 12240985 XBHNJRBNRUCPGG-UHFFFAOYSA-N 490.629 5.556 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC=C 20047564 QKGCXDXIHJZIOU-UHFFFAOYSA-N 457.646 5.270 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCc3csc(-c4ccc(CC)cc4)n3)nnc12 21235484 JTZVFZZAUHPYEV-UHFFFAOYSA-N 459.600 5.208 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C 22054878 TWAMPJAEYPKNFR-QGZVFWFLSA-N 499.036 5.142 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730958 HQAZFMAPPHBMPB-UHFFFAOYSA-O 496.612 6.141 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CC1 23610460 HJNRPZVAEXWYEA-JXHCQPQMSA-N 498.052 5.651 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccc(F)cc1 24014771 OZOOSFAUOSLFEX-LJQANCHMSA-N 472.589 5.980 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCC(=O)Nc1ccccc1Cc1ccccc1 24345157 CYBBNJLHRKEDMD-UHFFFAOYSA-N 493.592 5.109 30 20 JKED C=CCn1c(=S)sc2c(=O)n(Cc3cn(-c4ccccc4)nc3-c3ccccc3)cnc21 25822102 MWVQUQLTWQBRHD-UHFFFAOYSA-N 457.584 5.076 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)c2)cc1 71941222 BKXVZUKLQPVZRT-UHFFFAOYSA-N 451.526 6.159 30 20 JKED O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 195694864 HJGGJGPTGTWTSU-ZBEGNZNMSA-N 464.337 5.032 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(C(=O)N4CCCC4)cn3)c2C#N)C1 248152723 CDKGWCNTAIGEIL-GOSISDBHSA-N 496.702 5.523 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c2ccccc21 255937712 WFMMFICJKNOXMM-QGZVFWFLSA-N 477.615 5.029 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)c1 302971302 OBJBZUVHDGKEJA-IXCJQBJRSA-N 467.569 5.488 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 303374672 KYYFTXXYYMAPSN-GOSISDBHSA-N 474.388 5.191 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)c1ccc(C#N)cc1 481132554 XIFMPXQWIHDZMQ-OAHLLOKOSA-N 480.387 5.288 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 483369916 DRKFQYNHRYASQP-RUZDIDTESA-N 469.560 5.020 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 485450534 IYADKBJGPKPASZ-JTQLQIEISA-N 486.334 5.901 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(CC#N)c2ccccc2)c1 497894412 BXOSCZHUNQKTIQ-UHFFFAOYSA-N 499.514 5.257 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)c2)cc1 501467883 QEIPAQMWYOQVKT-UHFFFAOYSA-N 474.517 5.252 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)nnc1-c1ccccc1 504319747 ASSFXQXUETWOCU-KRWDZBQOSA-N 488.617 5.578 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 508247461 HLUIHZOLHPAOOC-NRFANRHFSA-N 463.559 5.634 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c2nccn2C)cc1 508262854 CFXJIWSFRPGOLP-VWLOTQADSA-N 483.528 5.012 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 508448037 GJXDZEUXRGCATH-UHFFFAOYSA-N 476.949 5.239 30 20 JKED COc1cc(I)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1OC 508959145 MBLBVDVROOTESB-UHFFFAOYSA-N 496.370 5.153 30 20 JKED CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510005040 IWZAOWZUWMJNTP-XMMPIXPASA-N 455.949 5.845 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 510540941 XGYWUJNYJNPKTC-XMMPIXPASA-N 455.493 5.443 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 510913858 FDFKVJPGVXXUGE-XMMPIXPASA-N 455.514 5.799 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCSc2ccc(Cl)cc2)cc1 511337242 GSVJXYXPJZUBBC-UHFFFAOYSA-N 451.979 5.899 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1cccc(OCCCC#N)c1 512704308 NMXCEYBULATJPJ-UHFFFAOYSA-N 453.340 5.187 30 20 JKED C=CCn1c(S[C@@H](C)c2ccccc2Br)nnc1[C@@H]1COc2ccccc2O1 513241875 MBNVYVBYDIBIQO-LIRRHRJNSA-N 458.381 5.592 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 513666754 OMQQTVQACDZSAT-OAQYLSRUSA-N 464.550 5.707 30 20 JKED N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1Cl 515263022 MNPISFYVFDVPPZ-LJQANCHMSA-N 477.351 5.233 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1nc(-c2ccccc2)cs1 515436611 YOHWOZWHKIUJIZ-UHFFFAOYSA-N 475.614 5.037 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(Cl)c1OCC(C)C 516270001 JGIAUGAZOYGBJL-SFHVURJKSA-N 465.962 5.869 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)cc2)cc1 519088774 PENKXWOOLOUNJK-UHFFFAOYSA-N 496.567 5.124 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nnn1-c1cccc2ncccc12 521324681 DQSFRRQLGZYWFE-UHFFFAOYSA-N 480.915 5.694 30 20 JKED CCOCCOc1c(Cl)cccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 521740948 LEMIABVKJCCLOH-UHFFFAOYSA-N 450.922 5.458 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2C(F)(F)F)c1 524390426 KAXMHSXUPVYWQJ-UHFFFAOYSA-N 476.458 5.903 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 524406190 MBCKCRIJDFGTSS-UHFFFAOYSA-N 455.558 5.112 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 524572837 XIKILOXYHBLIKR-OAQYLSRUSA-N 469.511 5.124 30 20 JKED C=CCn1c(SCC(=O)NCc2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1Cl 524586734 WWIBGRZWSXGYSL-UHFFFAOYSA-N 469.344 5.125 30 20 JKED Cc1ccc(-c2cc(-c3nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)o3)c3ccccc3n2)cc1 603597654 MUAWGMZFVRUVMG-DNOBIOAJSA-N 485.613 5.795 30 20 JKED Cc1ccc(-c2cc(-c3nnc(S[C@H](C)C(=O)Nc4ccccc4C#N)o3)c3ccccc3n2)cc1 603597738 VBJCQCATXDUABT-GOSISDBHSA-N 491.576 6.251 30 20 JKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603962127 FEXYXMHXLUWTHJ-IERDGZPVSA-N 464.974 5.901 30 20 JKED CN(C(=O)c1ccccc1Sc1ccccc1C#N)C1CCN(C(=O)c2ccccc2)CC1 608952950 PBUFOPSRQUTMHA-UHFFFAOYSA-N 455.583 5.086 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(Cl)cc1 609060673 AHECMYGXMJZPIQ-RUZDIDTESA-N 461.949 5.305 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 609061258 MWYDMZZJEFNSHN-UHFFFAOYSA-N 479.511 6.089 30 20 JKED CSc1ccc(N2C[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2=O)cc1 609061453 OBKTVMVTAQLUQE-OAQYLSRUSA-N 471.582 5.159 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)cc2F)c1 609103801 BGNOYNKAARNDFK-UHFFFAOYSA-N 476.895 5.551 30 20 JKED N#CCn1c(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cc2ccccc21 609215625 PYDVONNSEOKWPL-UHFFFAOYSA-N 451.555 5.901 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 609387292 WGWOZJIGYGCSRW-DLBZAZTESA-N 464.616 5.691 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)N1CCCCC1 609398777 PWVIEJYGBAAFDP-SIKLNZKXSA-N 452.624 5.296 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Oc5cccc(C#N)c5)cc4)nc(O)c23)C1 609430128 RIXICLGKRGCWNY-INIZCTEOSA-N 484.581 5.757 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 609434864 VQXZOCMQGVCSOT-OAHLLOKOSA-N 477.417 5.378 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1[nH]c2ccc(F)cc2c1Cl 615432319 DXQSOMMVPHVOTL-UHFFFAOYSA-N 484.755 6.095 30 20 JKED O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618538361 JIOJPUFWRMZCRA-TXEJJXNPSA-N 491.379 6.424 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 642282435 RJBZQMPPJUWBGK-NSHDSACASA-N 461.255 6.192 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 726319522 JQYCCDAVQIDLPL-RVMZIBIISA-N 465.638 5.322 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC[C@@H](C)OC)cc1 726392128 FECNRVSCKLFTAI-HOYKHHGWSA-N 491.613 5.234 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 726399754 OBYVARBTRHVFDR-HNAYVOBHSA-N 493.601 5.387 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(C)C)cc1 726410884 JFPNWCKTDHPDEG-RPWUZVMVSA-N 477.630 5.070 30 20 JKED CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 726427786 XISNJKMMAXDWDL-LFYBBSHMSA-N 489.380 5.513 30 20 JKED COc1cc(/C=C/C(=O)c2sc(-c3ccc(Br)cc3)nc2C)ccc1OCC(=O)O 727780154 IGYRQHMXSRTRBT-YCRREMRBSA-N 488.359 5.249 30 20 JKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nccn1C 728120216 WUHXCJOHXDMKDU-AREMUKBSSA-N 481.556 5.099 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1cccnc1 728424689 GRZRJXHKCUEJSC-HOYKHHGWSA-N 483.597 5.237 30 20 JKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N(C)Cc1nc2ccccc2s1 728669372 OXYZWCYVKFGJRE-KRWDZBQOSA-N 471.538 5.164 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ncccc3C)C2=O)cc1 729634619 PBBOGHXAFORNFC-DEOSSOPVSA-N 488.613 5.258 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2sc3cc(Br)ccc3c2Cl)cc(OC)c1OC 729842871 POTBFGHMWBLONF-CYBMUJFWSA-N 495.782 5.338 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c3c2CCC3)c(F)c1 730686988 KSJWARMUTPGKAG-KRWDZBQOSA-N 471.319 5.077 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)Cl)n2)cc1 730956617 MUBVHMBUYXMBJO-UHFFFAOYSA-N 491.310 5.456 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nnn1-c1ccc(OC(C)C)cc1 731410488 JNRXDKURCJEQQI-HSZRJFAPSA-N 495.539 5.116 30 20 JKED CCOc1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)ccc1OCC(=O)Nc1ccccc1 746345984 CURXDMZMRWTMBZ-FYWRMAATSA-N 467.525 5.185 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 746698087 UFRTVVBVZQXHOC-LJQANCHMSA-N 477.989 5.255 30 20 JKED Cc1csc([C@](O)(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 746819090 MPOLXWGZAXMPHS-CYBMUJFWSA-N 466.325 5.268 30 20 JKED Cc1csc([C@](O)(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(F)(F)F)n1 746838010 WSIPOIWAWRJWPY-HXUWFJFHSA-N 481.883 5.548 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cscn3)C2=O)cc1 747601914 WWLSNDNSVDBMCQ-OAQYLSRUSA-N 480.615 5.011 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)c1 750193212 AUXPEIGASQJHDR-FQEVSTJZSA-N 499.596 5.105 30 20 JKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1nc2ccccc2n1C(F)F 812443175 JOOYKIGLBVMRSH-UHFFFAOYSA-N 452.465 6.078 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 912832091 MQBHHUYOKUIWED-UHFFFAOYSA-N 498.612 5.198 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3sccc3C)C2=O)cc1 914545405 BQJTVCRPGAAJDZ-OAQYLSRUSA-N 477.611 5.420 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)Cc2cccs2)cc1 914693939 AHGKXWHMFANBNY-WZONZLPQSA-N 493.654 5.026 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C[C@H]2CCCO2)C1=O)Nc1ccc2ccccc2c1 916208360 AEHAUACDSSTSHN-OFNKIYASSA-N 477.561 5.118 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccco2)C1=O 916209707 QRLZYDNGSILZAJ-FQEVSTJZSA-N 487.940 5.241 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(Cl)cc4)cc3)o2)cc1 916882469 FVVCNFVNLGXYGU-NRFANRHFSA-N 456.889 5.327 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 916956237 YXIMRCSRJSUYHR-LAUBAEHRSA-N 469.545 5.747 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cs1 917531255 FIWNYFVZKJDQTN-UHFFFAOYSA-N 470.529 5.673 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)cs1 917562229 WQNZMLUHLJWYSF-YHYXMXQVSA-N 465.789 6.992 30 20 JKED COc1cc(C=NN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)ccc1OCc1cccs1 917567038 DGAQLXHVFRXJEU-UHFFFAOYSA-N 487.493 5.027 30 20 JKED C[N+](C)=c1ccn(/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Oc3ccccc3)cc2)cc1 917612296 ONVBGAHEMVWNCV-UHFFFAOYSA-O 493.612 5.507 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c1 917670921 DOYPCOMETGPLJZ-AOHZBQACSA-N 494.636 5.030 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(Cc2ccsc2)C1=O 917674279 PVEUXQANRPJGEM-JOCHJYFZSA-N 479.627 5.534 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(C)c(F)c2)n1 917687034 LMJZINSWPNSONN-JOCHJYFZSA-N 480.540 5.137 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 917700535 JDXXCGIYKLSFCC-FQRUVTKNSA-N 494.620 5.634 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(F)cc3)C2=O)c1 917704204 VGSQGIBPQQZYMD-DEOSSOPVSA-N 486.572 5.475 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccccn2)c1 917707763 AKRNBHYYSJXMRN-DEOSSOPVSA-N 472.614 5.043 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2Cl)cc1 918052846 WENOSPKPFGVYKG-UHFFFAOYSA-N 480.927 5.301 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 918630822 ZYXIVGULLUUUER-HHHXNRCGSA-N 453.517 5.190 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(F)c(F)c1 920358979 FKWSDZBQHIDRBO-JOCHJYFZSA-N 494.498 5.136 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)Nc1ccc2c(c1)CCC2 920395000 CLJPDJMIXHFOFG-UHFFFAOYSA-O 460.623 5.343 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3cc(F)ccc3s2)C1 1779023760 UGFIRWKLROYWGZ-ATIYNZHBSA-N 472.626 5.160 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)C2)C1 1780067101 VMRFFWVAUJCZGI-SSEXGKCCSA-N 485.628 5.042 30 20 JKED COc1cscc1C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785796867 WOFOHTVJEGNHKU-UHFFFAOYSA-N 459.571 5.009 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccc(Br)cc4)CCC3)cc2)C1 1785803682 UHWGCJPYDUPFSA-UHFFFAOYSA-N 483.406 5.318 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCC[C@@H]4NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785809197 YEQSWQBXIBRDPL-GOTSBHOMSA-N 481.637 5.170 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)CCC1 1785993316 OVAFLFCPBNOSCI-VAWYXSNFSA-N 495.000 5.354 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)cc2)CCC1 1787037943 NTRNIOKOBWUEIQ-LJQANCHMSA-N 473.573 5.029 30 20 JKED CC(C)[C@@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)NCCC#N)cc2)CCC1)c1ccc(Cl)cc1 1788030628 MXWJCJSRZOHUHF-XMMPIXPASA-N 495.067 5.496 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc4ccccc4c3)cc2)CCC1 1788380636 RJVIAYVTBIDZGR-UHFFFAOYSA-N 474.564 5.953 30 20 JKED COc1ccc2c(c1)CC[C@H](CC(=O)Nc1ccc(C3(NC(=O)[C@H](C)ON=C(C)C)CCC3)cc1)C2 1789165433 AEUKUELHSJUHSQ-SFTDATJTSA-N 491.632 5.125 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1789491316 FHBUBGCYVUBPJC-QFIPXVFZSA-N 465.981 5.142 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1789561168 UCJLMWZFJRPRHQ-FCFFNXBQSA-N 498.583 5.025 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cnc4Cl)cc3)CCC2)c1Cl 1789716567 RXZQDGKNQGHTQU-UHFFFAOYSA-N 483.330 5.461 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccnc5)[nH]n4)cc3)CCC2)c(Cl)c1 1789804070 WUPDCOWGQVJZJX-UHFFFAOYSA-N 496.958 5.058 30 20 JKED Cc1cc(C)nc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c1 1790081874 XENXRSDEECRHPA-UHFFFAOYSA-N 458.949 5.285 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3n[nH]c4cc(Cl)ccc34)cc2)CCC1)C(F)(F)F 1790373363 PSGNKUKDYDKRHK-UHFFFAOYSA-N 476.886 5.011 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)n3cccc3)CCC2)cc1 1790519657 RPSNFGRXMZGFJZ-NFBKMPQASA-N 494.636 5.043 30 20 JKED Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(F)c(C#N)c5)cc4)CCC3)c2[nH]1 1790520370 RCLYOMWEMRZFBW-UHFFFAOYSA-N 480.543 5.478 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790552919 LATWDXIWABKMCA-GOSISDBHSA-N 479.568 5.025 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccoc3C)CCC2)cc1)c1ccc(O)cc1 1791641977 NSBKYEIFKDVBAM-NRFANRHFSA-N 456.542 5.239 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3)CCC2)cc1)c1ccc(O)cc1 1791646277 INDWRPCYVDJSOX-XMMPIXPASA-N 481.596 5.051 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C3CCC(NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1792211682 LNACIJWSORWNKT-UHFFFAOYSA-N 495.664 5.398 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCCOc3cccc(Br)c3)CCC2)cc1 1792262593 IZHGDOQTPWOYSN-UHFFFAOYSA-N 483.406 5.156 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sc4ccccc4c2Cl)C3)cc1 1792480941 BHMRTELOVXMGHJ-ACDBMABISA-N 478.017 5.311 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](F)c4cccc(F)c4)c2)C3)C1 1792503044 DNPKZLGYQVALMH-ZFFYZDHPSA-N 450.529 5.103 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)cc(Cl)c3[nH]1)C2 1801643300 HDAZXASNHAEJMU-VDNDLQMASA-N 478.818 5.048 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1 1802495463 FOWAJISPTKCVIV-HOFKKMOUSA-N 472.633 5.194 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1804377586 ARMYHYKKABSNPT-NFACAIDUSA-N 470.617 5.275 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(OCC(F)(F)F)cc4Cl)CC3)C2)C1 1804782246 LQUIXSFQRMIZNN-UHFFFAOYSA-N 484.946 5.092 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1806089219 QYYYBEKERJIIFI-OFNKIYASSA-N 476.646 5.312 30 20 JKED O=C(CC1CCCC1)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1806195508 ABBUCUYBGNUSEK-IGYGKHONSA-N 491.635 5.381 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1806448735 OTKFRYNYEUUSPM-HVNBRUQDSA-N 494.639 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808975801 KNCXTPRVPPZVAP-OZXSUGGESA-N 455.602 5.547 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)no3)C2)CC1 1810373001 TUBIHVCTPKROGJ-UHFFFAOYSA-N 467.997 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3cccs3)on2)[C@H]1c1cccnc1 1810849132 WSSHBNOBCAJUDG-AUSIDOKSSA-N 478.618 5.110 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1810961280 XQTJZXPVKLZXDT-YSGRDPCXSA-N 499.986 5.028 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1811138815 GKNVAJSTRPVMPD-DBVUQKKJSA-N 499.986 5.028 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812514511 UXEWBVKFBOTGKC-BKMJKUGQSA-N 478.036 5.056 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@@H]1c1cccnc1 1813226126 KVUWAOQRQWJINT-POURPWNDSA-N 497.614 5.325 30 20 JKED Cc1c(Cl)ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)c1Cl 1813768345 MPHNJTFAOOFNRO-HYBUGGRVSA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)c3ccc(Cl)cc3)n[nH]2)c1 1814661431 WXMUBAAERIEGBM-NXMSCROESA-N 490.007 5.800 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1815206430 CGJKOKBUXJMVET-RUZDIDTESA-N 490.579 5.505 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1)C(F)(F)F 1817740071 LLABMISKJUOSER-OAQYLSRUSA-N 483.494 5.205 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccoc3C(F)(F)F)n[nH]2)c(Cl)c1 1818212005 SISHNXDCNGODKW-QGZVFWFLSA-N 491.857 5.166 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4nc(C)sc34)n[nH]2)c1 1818537380 YTICMWVGNTYYRU-QFIPXVFZSA-N 484.585 5.128 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc3c2CCCO3)[nH]n1 1819385027 HDHMQNJKPBIDQD-OAQYLSRUSA-N 498.725 5.153 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1820822860 CIYLOFQRGYPBQM-WMZHIEFXSA-N 490.007 5.070 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)[nH]n2)cc1 1821179342 AXLLWMBQFXSGCW-SANMLTNESA-N 490.567 5.157 30 20 JKED COc1cc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c(C)c1 1821252756 NCZATZMAJUFUBP-OAQYLSRUSA-N 491.979 5.180 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)n[nH]1 1821267864 QVCWCYDLJVIUEM-RDTXWAMCSA-N 474.487 5.109 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(OCc4ccccc4)cc23)[nH]n1 1822402241 IEKSHFHENRBASR-SANMLTNESA-N 497.599 5.281 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)n[nH]1 1822610054 GAYNLPZUYRLEAA-ZEQRLZLVSA-N 477.653 5.059 30 20 JKED Cc1cccc(C)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823217726 WZAKZVJHQVCYMC-AUSIDOKSSA-N 455.562 5.273 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)[nH]n2)cc1C#N 1823290521 GANUCWSGUYCXOO-JOCHJYFZSA-N 497.555 5.434 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccsc3)[nH]n2)cc1C#N 1823291098 UPVLULPDWOSLNQ-QFIPXVFZSA-N 491.617 5.069 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(F)CCCCC3)[nH]n2)cc1C#N 1823292866 VNGGTRKXIZSZAH-NRFANRHFSA-N 481.572 5.047 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 1825234479 MQIJAYLNGLXXPD-CVDCTZTESA-N 499.055 5.155 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1825468413 HUSKZVVQMWOYGX-UNMCSNQZSA-N 493.570 5.024 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827681336 IKVWMLLDWUCRHU-PYHNJFEDSA-N 492.685 5.547 30 20 JKED Cc1cc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)ccc2[nH]1 1827700459 MLFOJUPOFDKYDX-QVKFZJNVSA-N 483.597 5.100 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)CC1 1827904649 RZSPXRKJWIGCBI-AZUAARDMSA-N 461.672 5.080 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)c21 1828278208 OHANQFWNMFCTES-AREMUKBSSA-N 491.752 5.463 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2OC)CC1 1828825755 YWMIAHBMDZKBOE-DQEYMECFSA-N 452.639 5.016 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3F)CC2)c(Cl)c1 1829890858 HDDWWUGLYKBXTB-JOCHJYFZSA-N 471.935 5.037 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)CC1 1830684298 WQZNYMHQAOWETJ-HSZRJFAPSA-N 470.654 5.238 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc(C(F)F)c3)CC2)c(Cl)c1 1830720261 GGSSTYDKBXKXGT-QFIPXVFZSA-N 486.950 5.091 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1831221983 JTTDFOVYJOLJDT-UKILVPOCSA-N 476.020 5.175 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1C 1831715163 WWTCBSFVWCILLY-SANMLTNESA-N 496.768 5.217 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831852000 KCRUZVWRVVXONR-AZGAKELHSA-N 457.058 5.503 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1832026115 LMWITMWXVCGBOK-HHHXNRCGSA-N 459.634 5.417 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CC1 1832720125 ZSDIPOSAQUENFM-GOSISDBHSA-N 468.812 5.184 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1835816128 VJRMEERFZJRCPW-RPBOFIJWSA-N 486.100 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)CC1 1837634409 GRTLFRSERNMFPA-VWLOTQADSA-N 454.655 5.171 30 20 JKED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCc3ccccc3)CC2)CC1 1838785739 LDJRFPBEUBLWSU-QHCPKHFHSA-N 488.738 5.277 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10172464 RRUMFBKURGVJAF-UHFFFAOYSA-O 483.613 6.388 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(CC)cc2)c1C 10827677 VCYPKDAXQLJECI-UHFFFAOYSA-O 485.029 5.362 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 11083304 WKZIHRHZBYRBOG-UHFFFAOYSA-O 489.661 6.742 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nc2sc3c(c2c1=O)CCC3 11149806 KKPPJLYUJANOFZ-UHFFFAOYSA-N 456.980 5.128 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1cccc(Br)c1 11158670 QOYPHUIWWDWTIT-UHFFFAOYSA-O 497.221 5.800 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)cc2F)cc1 11248029 HBZYJNRDGQRYRB-UHFFFAOYSA-O 461.504 5.879 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1cccc(OC)c1 11259361 VWFJVVXAMCANNC-UHFFFAOYSA-O 467.614 6.263 30 20 JKED Cc1cccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2c[nH]c3ccccc23)c1 15275277 RNRLRYTVQYLOSX-UHFFFAOYSA-N 470.583 5.388 30 20 JKED C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16716211 VYYUDAWWCXEKQS-HNNXBMFYSA-N 480.018 5.699 30 20 JKED O=C(C[C@@H]1S/C(=N\c2cccc(Br)c2)NC1=O)Nc1ccc(SC(F)F)cc1 16938680 CPZJGXZSQVGUQU-AWEZNQCLSA-N 486.363 5.012 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 17042960 LUMQEDQIGVBXCR-CQSZACIVSA-N 483.590 5.264 30 20 JKED COc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc32)cc1 22144930 IBLDGCIIBIGTKZ-UHFFFAOYSA-N 460.584 5.381 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 22217397 MCVOSHHYGFBIJG-LLVKDONJSA-N 485.799 6.350 30 20 JKED COc1ccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)s2)cc1 23362145 JNKYQARYTBSSGN-KRWDZBQOSA-N 467.620 5.335 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc(C(CC)CC)cc2)c1 28793819 MPFQIWNMRXCJGQ-UHFFFAOYSA-O 490.693 6.639 30 20 JKED O/C(=N\c1nc(CN2CCOCC2)cs1)c1ccc(-c2ccc(Br)cc2)s1 31263738 SOFDAATXCMACRA-UHFFFAOYSA-N 464.410 5.103 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2F)C[C@@H](C)O1 71931331 JHTWCTLHVHGJIN-QZTJIDSGSA-N 461.562 5.714 30 20 JKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(OCc2ccccc2C#N)c1 108844071 WTIIFONVASRQGI-UHFFFAOYSA-N 482.367 5.545 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)nnc1-c1ccccc1F 195568811 JOJQDZNXENOXNO-UHFFFAOYSA-N 476.581 5.112 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 302944687 MDXJHDLIFSPKEH-JPYJTQIMSA-N 478.017 6.003 30 20 JKED COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccc(Cl)cc3)c2C)ccc1S(=O)(=O)C(F)F 303038668 ZGNLLKDLVITYIK-MDZDMXLPSA-N 480.920 5.044 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 303143408 DGPZZDHBKNWIDY-LJQANCHMSA-N 487.650 5.850 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1Sc1ccc(Br)cn1 303253669 CSGHFAFIYVUGQT-OAHLLOKOSA-N 484.444 6.499 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 409840074 QRCFEAJEXRKTSL-MRXNPFEDSA-N 496.679 5.688 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 483210649 DVENCNFITUKOLY-LJQANCHMSA-N 459.402 5.334 30 20 JKED COc1ccc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1OC 487386946 INGIEUHPPABNDI-UHFFFAOYSA-N 475.492 5.213 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490654869 ZDTAQSPKTANUGB-UHFFFAOYSA-N 457.530 6.155 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)nc21 495454069 HKMHOVUWGWPSHW-UHFFFAOYSA-N 499.600 5.052 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccccc1SCc1nc(C)no1 501765847 FNWGSXUPEMOBPF-UHFFFAOYSA-N 476.371 5.400 30 20 JKED N#CCCn1cc(C(=O)NCC2(c3cccc(F)c3)CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 502160729 UWOUSWUYDCBOGZ-UHFFFAOYSA-N 475.524 5.143 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3Oc3ccc(Cl)cc3)CC2)c1 502624358 XKROWHPMBJYWHE-UHFFFAOYSA-N 474.948 5.887 30 20 JKED C=CCn1c(SCc2c(C(=O)OCC)oc3ccc(Br)cc23)nnc1-c1cccnc1 503715254 YXMQAOITSWKIKN-UHFFFAOYSA-N 499.390 5.504 30 20 JKED Cc1csc(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 510046453 UEOOBZJDWSASPS-HXUWFJFHSA-N 451.983 5.115 30 20 JKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510274656 WSGCCHPBHAJLQN-GAJHUEQPSA-N 478.017 5.923 30 20 JKED Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2C(F)(F)F)c1 515540194 JKRWLNFOOGYCER-AWEZNQCLSA-N 459.378 5.434 30 20 JKED Cn1c([C@H]2CCCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)nc2ccccc21 516628943 CQBUYKQQJNCSNS-AREMUKBSSA-N 450.542 5.391 30 20 JKED COc1cc(C(=O)Nc2ccccc2SCCC#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 517443831 HTPBUKPXQSBBNI-UHFFFAOYSA-N 483.933 6.307 30 20 JKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517467403 YFAOVTFTXDBDCB-KRWDZBQOSA-N 479.524 5.381 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 517851334 ZXSBSIGHAGZNTD-IBGZPJMESA-N 457.530 5.262 30 20 JKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 518642081 QETHFHSRKARGCJ-GOSISDBHSA-N 489.944 5.869 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)cc2Cl)cc1 519972453 UQIWSIWAXJLVPK-UHFFFAOYSA-N 488.975 5.952 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 520141145 FBWJJNQJASHCEC-UHFFFAOYSA-N 479.533 5.293 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 520837278 PZOHBJFDZOWJNX-UHFFFAOYSA-N 450.873 5.803 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(F)c(Cl)c2)cc1Cl 522496705 HKLQOOHCPWELGS-GOSISDBHSA-N 456.304 5.043 30 20 JKED CN(C(=O)Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1)c1ccccc1 523286918 XCJLZPPTKJJPEF-UHFFFAOYSA-N 465.509 5.188 30 20 JKED O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590534554 BRRJIQAWKVXPTN-STQMWFEESA-N 476.339 5.035 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3)ns2)nnc1-c1ccc(Cl)cc1 590681936 RLGXKKVWFJOCMW-UHFFFAOYSA-N 499.021 5.042 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 592544894 JJYFOWGOBAZHCL-DEOSSOPVSA-N 486.572 5.282 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCN(C(=O)c4cccc5ccccc45)C3)s2)cc1 602228913 JFZWRLKBOWUGDZ-QFIPXVFZSA-N 480.593 5.250 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1Cl 603766672 SPQPNPWUWVDFMA-HSZRJFAPSA-N 470.960 5.351 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 603831516 AAQANCFUEHFIAZ-ROUUACIJSA-N 499.455 6.363 30 20 JKED CN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604155598 ADJMBJPDWPLTBB-UHFFFAOYSA-N 454.313 5.254 30 20 JKED CCN(C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)[C@@H](C)c1ccc(C#N)cc1 604343298 ALXWTNPDXXYSOJ-KRWDZBQOSA-N 499.995 5.053 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 608851264 XULNKFOLMNBBBM-UHFFFAOYSA-N 459.889 5.463 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 608971301 KRERMUZPEYINDG-VWLOTQADSA-N 488.012 5.951 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 609086032 JNXWISIGAXTQFY-FQEVSTJZSA-N 471.557 5.049 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCc1cccc(COC(C)(C)C)c1 609089061 JUEUMMBSWGHHPQ-UHFFFAOYSA-N 485.584 5.016 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(I)c3)n2)cc1 609089904 MNFOTGGYEKWKCG-MRXNPFEDSA-N 458.324 5.522 30 20 JKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1Br 609110105 FPQBCWUTDKZCMJ-UHFFFAOYSA-N 455.283 5.300 30 20 JKED N#C[C@@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccc(OCc2ccccc2)cc1 609174778 WFZIXOFEPZHTJY-HSZRJFAPSA-N 478.508 5.375 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 609176766 XXUDFLPNORJCGX-UHFFFAOYSA-N 468.557 5.253 30 20 JKED CCOc1ccc(Oc2ccccc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 609204749 IAHLPTNPDIDYHI-UHFFFAOYSA-N 457.530 5.825 30 20 JKED COc1ccc(-c2csc(NC(=O)[C@@H](C)Nc3ccccc3SC[C@H](C)C#N)n2)cc1 609387277 WFKCQPNEKZLTEH-HZPDHXFCSA-N 452.605 5.510 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609404011 QMCXNZPVCDJDHJ-UHFFFAOYSA-N 490.334 5.615 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 609434091 UFWHVIGHRBUTHJ-SFHVURJKSA-N 499.962 5.761 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 609438472 ILRFBROOQXXDQE-QGZVFWFLSA-N 460.603 5.215 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccc(Cl)cc1 613405032 TZPYXDAYYFLEAI-OAHLLOKOSA-N 460.868 5.953 30 20 JKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2C(F)(F)F)cc1 613407502 VQRHKCAQHPMVQV-AWEZNQCLSA-N 460.868 5.953 30 20 JKED C=CCn1c(SCC(=O)NCc2cccc(OCC)c2)nc2scc(-c3cccs3)c2c1=O 613827635 NWFDXHQZXXCWFL-UHFFFAOYSA-N 497.667 5.180 30 20 JKED Cc1ccc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1NC(=O)c1ccccc1F 642366954 BIFLNAPETDNZKS-ZSHCYNCHSA-N 490.419 6.026 30 20 JKED Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 726080773 CIAQJBMTPDRUNH-UHFFFAOYSA-N 459.619 5.660 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 726401297 SSUSADKSMCOLPW-ORAYPTAESA-N 481.952 5.004 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccccn2)c1 726407394 NIRQLMACCGCSAZ-QFIPXVFZSA-N 492.963 5.016 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2Br)[n+]2ccc(C(C)(C)C)cc2)c1 726573500 HDZPHQMCEBIYDU-UHFFFAOYSA-O 492.462 6.339 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3cnn(Cc4ccccc4Cl)c3)SC2=S)cc1Cl 726626548 IEGDWWJSYJPHAK-GXHLCREISA-N 471.394 5.516 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OCCCC#N)c3)SC2=S)cc1Cl 726986158 XLAGIBDKXYJTQC-NDENLUEZSA-N 474.991 5.446 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OC)cc2C)c1 727093535 OFYAGFYLWYXSPG-UHFFFAOYSA-N 470.978 5.291 30 20 JKED CC(C)c1nc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)nn1-c1c(Cl)cccc1Cl 729091227 YVKLZYXWTUZNBR-HNNXBMFYSA-N 461.324 5.376 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O 730460733 DCXSRYXHDHEPMJ-OAQYLSRUSA-N 473.545 5.266 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 730666843 GWTKELUCBNCBJE-UHFFFAOYSA-N 478.593 5.309 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 730687283 MVHKKJYENNJQCK-LBPRGKRZSA-N 452.750 5.537 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cccs2)C1=O)Nc1cnccn1 730727833 WQNHYPNYQBKGKA-JOCHJYFZSA-N 499.621 5.366 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(Br)cc2F)cc1 731012177 IUPJMICAXANJOV-UHFFFAOYSA-N 469.379 5.725 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 731029163 XRQQXHNFUNXEHR-VQTJNVASSA-N 472.614 5.480 30 20 JKED COc1ccc(NC(=O)c2ccccc2NC(=O)CNc2ccccc2SC[C@@H](C)C#N)cc1 731029203 ZPZJXXBAVAHIBQ-SFHVURJKSA-N 474.586 5.250 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccccc2Cl)n1 731068872 FUEABIIKZKZYHC-HNNXBMFYSA-N 486.018 5.440 30 20 JKED CC(C)c1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c12 731070319 KVNQMEGKAWCCNU-HNNXBMFYSA-N 478.574 5.271 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 731077774 KBVRFTBZYHJPTH-IBGZPJMESA-N 487.581 5.153 30 20 JKED CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 748481592 FFGJETWTSLHFNK-MAUKXSAKSA-N 464.418 5.720 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(Cl)cc1 799218697 DNZYTFVHBREMOZ-KRWDZBQOSA-N 479.961 5.248 30 20 JKED N#Cc1cccc([C@@H]2NC(=O)N(Cc3cccs3)C(c3ccccc3)=C2C(=O)Nc2cccnc2)c1 840198187 ACNUYYGEKBCJJA-VWLOTQADSA-N 491.576 5.331 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1F 914541425 SNWZHZSGCUYAOU-HSZRJFAPSA-N 477.561 5.133 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2sccc2C)cc1 914549820 IUVOAHBOWKLELR-FQEVSTJZSA-N 465.600 5.226 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915353798 XIMPPGMOXKVVDT-HXUWFJFHSA-N 467.356 5.751 30 20 JKED C=CCn1c(SCC[S@](=O)c2ccccc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 915993952 VOBDQNWUTGAYQP-YTTGMZPUSA-N 484.643 5.658 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)c1 916207210 CPHBAHWKROYQHO-FQEVSTJZSA-N 475.536 5.917 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(C3CCCC3)C2=O)c1 916212473 WEWBACKJQCKXMK-QHCPKHFHSA-N 481.618 5.224 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC2)C1=O)Nc1ccccc1F 916215926 ZNYRRRHNWFUIOT-QGZVFWFLSA-N 465.522 5.263 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2cccc(Cl)c2)n1 916887438 OLHKZURYBHQOCK-OAHLLOKOSA-N 463.918 5.739 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 916911985 OMLXAKYUILFFQE-SFHVURJKSA-N 467.356 5.409 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916927975 GAPVSLLNQYVFKH-GFCCVEGCSA-N 469.168 5.992 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916945197 RZUQROAFXLPZKJ-HXUWFJFHSA-N 472.328 5.067 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 917506397 YSUDMRQEMXFGHT-FQEVSTJZSA-N 499.498 5.475 30 20 JKED CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)CC2 917560769 YVFFYWNPFCBSGO-PTNGSMBKSA-N 484.961 5.772 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccsc2)C1=O 917678873 QSBZZNASVVSPRO-HXUWFJFHSA-N 486.018 5.571 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccsc2)C1=O 917695600 AKBFBFOBHTVPPR-FQEVSTJZSA-N 487.553 5.195 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](c1ccccc1)C1CC1 917700753 SQEPTUPQTFHIQQ-VPUSJEBWSA-N 494.620 5.348 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)c1C#N 918108789 PONILJSGRXXYOU-UHFFFAOYSA-N 452.580 5.172 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)C(C)(C)C#N)c2C#N)C(C)(C)C1 919350544 DYZVWAHQMZVDFD-SREVYHEPSA-N 479.627 5.799 30 20 JKED N#CCOc1ccccc1C(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 919812444 FBUYSKROGQGVLQ-UHFFFAOYSA-N 496.430 5.038 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 920102443 SPYJNDKZGYNOSN-ZBFHGGJFSA-N 478.599 5.017 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 920176010 OWXMMDDVQFNUBR-HXUWFJFHSA-N 473.520 5.317 30 20 JKED Cc1c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nnn1-c1ccccc1 920324615 QZDQFAGQCRYJMH-QGZVFWFLSA-N 468.369 5.425 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cc(C)on3)C2=O)c1 920355779 MRNKQYACSZWODQ-QFIPXVFZSA-N 480.565 5.208 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(C(C)C)c2)no1 920359552 OFTFJQTWPADGNP-QFIPXVFZSA-N 480.565 5.406 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2nnn(-c3cccc(Cl)c3)c2C)cs1 920389825 USPJPWWJCRLQGK-XFXZXTDPSA-N 477.977 5.575 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)n(Cc2ccco2)c1C 921248943 AHJSRQOTGSTQSW-UHFFFAOYSA-N 481.552 5.322 30 20 JKED CS[C@@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC#N)CCC(C)C)C(C)(C)C 1770448924 ZIENMIUIJLVGBZ-FQEVSTJZSA-N 481.670 5.138 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccc(C)cc3s1)C2 1779512036 AYIVAYLXZJRGOP-YIXXDRMTSA-N 468.663 5.330 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC2CCC(C)(C)CC2)C3)c1 1782972902 KCNHFQPMITZDAP-PRNYMFJNSA-N 479.665 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCc4ccccc4[C@H]3O)cc2)CCC1 1786173547 IPNGVFWBIIHJHP-LGPLSSKUSA-N 458.602 5.185 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cnc5c(Cl)cccn45)cc3)CCC2)c1 1788385808 AWOADQPNYMQUBC-UHFFFAOYSA-N 497.986 5.240 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cnc4ccoc4c3)cc2)CCC1)c1ccc(O)cc1 1788484619 NCTXSVFGYSPPFD-OAQYLSRUSA-N 493.563 5.478 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)c1 1788788480 YPICMRNDZHWSDV-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C(F)(F)F)[nH]c34)cc2)CCC1 1789056357 KDMOQUKYSSTQNA-UHFFFAOYSA-N 468.479 5.133 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)c2c1 1789274060 URUYCWUHLIJFQK-UHFFFAOYSA-N 482.515 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COc3cccc(N(C)C)c3)CCC2)cc1 1789453346 XBGZMCRYMCTKNW-RUZDIDTESA-N 461.606 5.034 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1 1789497970 BTQXCDBUORZANU-QRFRQXIXSA-N 466.544 5.062 30 20 JKED Cc1nc2sccn2c1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508080 JPZUSUSDMCSLJI-UHFFFAOYSA-N 492.721 5.503 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3snnc3C3CC3)CCC2)cc1 1789508143 QARFTGBUSSBDED-UHFFFAOYSA-N 480.710 5.214 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1789625524 HUTDEMCPAMAOGA-KCWXNJEJSA-N 495.664 5.512 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789934475 BDPITQORUSDOJI-FQEVSTJZSA-N 470.573 5.297 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)cc3)cc2)CCC1 1790151641 PRRYMDFKXMPOIA-UHFFFAOYSA-N 487.575 5.618 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(F)c(C#N)c5)cc4)CCC3)c2c1 1790520317 LGMGRANWZIJTEC-UHFFFAOYSA-N 496.542 5.178 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790711239 SGNITKXMWIZSKU-UHFFFAOYSA-N 451.473 5.301 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)cc(C)n1 1790764169 ZNZRFTPVIOTTKW-UHFFFAOYSA-N 456.521 5.025 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4Cl)CCC3)cc2)c(Cl)c1 1790766469 YHPMQCXIYPKVCQ-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)Cc3cc(Br)ccc3Cl)cc2)CCC1 1791198773 XPFGRKRSAGLTCM-UHFFFAOYSA-N 474.786 5.083 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(Br)ccc3OC)cc2)CCC1 1791524337 RURCEMRKDMNQHG-AWNIVKPZSA-N 469.379 5.181 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccccc1C(F)(F)F)c1ccccc1 1795633543 LCJYTZYDIFRZKA-UEQSERJNSA-N 482.546 5.083 30 20 JKED Cc1ccc2oc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(C#Cc5ccccc5)cc3)C4)cc2n1 1796400022 ZXTMDFPZAKAHCP-OOSCYNTBSA-N 489.575 5.102 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)N(CC(C)C)CC(C)C 1801400511 PEOWNAKKINNKHZ-NDBXHCKUSA-N 489.651 5.191 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[C@H]2c2cccnc2)C1 1802415295 ABBRHVIWZAXVHE-VFNWGFHPSA-N 495.904 5.179 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803605083 OZZKVQLDFGBIGT-KAMZKSLDSA-N 488.097 5.135 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)CC1)c1ccccc1 1804731956 IBLRMLWTSKEAOE-AREMUKBSSA-N 495.623 5.384 30 20 JKED CC1(C)CCC(CC(=O)N2CCC3(CCCN(C(=O)CCc4cccc(C#N)c4)C3)CC2)CC1 1805328890 UVQPPWTWAPDDFE-UHFFFAOYSA-N 463.666 5.329 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1809107712 MWFPKXVBKPUSBE-NFBKMPQASA-N 476.646 5.312 30 20 JKED Cc1cccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)[nH]c12 1809754618 SOPXELMNCSBLBQ-ATZAZFCXSA-N 491.595 5.132 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810502785 LODLAUUTZFENLK-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810602132 NWNZHBQWMJCPRG-JTSKRJEESA-N 475.967 5.325 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1811427878 RAUNUVATBKQSEO-ZJVHSOCCSA-N 494.639 5.741 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CC3CCC(C)(C)CC3)[C@H]2c2cccnc2)c1 1811939127 FFIZNBONKAPTLN-SQHAQQRYSA-N 472.633 5.188 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1812674840 DISRQBGXWARULD-KUHUBIRLSA-N 486.321 5.059 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)[nH]n1 1814827504 QUOXJMUXHONCMU-LJQANCHMSA-N 473.021 5.089 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1815119027 YGIXWTMHAANJAC-JOCHJYFZSA-N 483.597 5.339 30 20 JKED CC(C)(C)c1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1817710331 AXXVHKJJEJYIMV-HXUWFJFHSA-N 490.995 5.247 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818210961 UUHFETRZZJSXEU-YOEHRIQHSA-N 450.461 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)sc2C1 1818647517 OUUZNNPRLYSPNP-HSBQTJJHSA-N 490.629 5.027 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4c(Cl)cccc4s3)n[nH]2)CCC1 1818774990 GGRWMLLCAUKNMT-KRWDZBQOSA-N 467.982 5.278 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3c2)n[nH]1 1819130052 SXEPJCDWHBOEKT-FQEVSTJZSA-N 467.367 5.207 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)c(F)c(OC)c2F)n[nH]1 1821267306 VEGYCUHCSHBHSD-QGZVFWFLSA-N 490.551 5.003 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277366 XRSHTOSVAXLVNK-LJQANCHMSA-N 495.008 5.061 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4scnc4c3)[nH]n2)c(Cl)c1 1821278553 SAYODDDXXXGASF-FQEVSTJZSA-N 490.976 5.164 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1821987327 OPFWEFIDVXJCBP-NRFANRHFSA-N 480.515 5.719 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)[nH]n2)c1 1823211665 OZCLYJGBPTUVMN-DHTANIISSA-N 453.546 5.056 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccccc3Cl)[nH]n2)c1 1823212313 SYEHVECYMGPXFL-HXOBKFHXSA-N 475.980 5.239 30 20 JKED Cc1ccc(COCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1C 1823213175 VROGGOSXSKKFJP-LVXARBLLSA-N 499.615 5.176 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1824046125 GANLPKLWBMDBAZ-PXDATVDWSA-N 454.655 5.411 30 20 JKED C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1824054613 MBBPWERBQLYIBS-LXFBAYGMSA-N 471.645 5.304 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1825091554 DEPOBKYLYKIZDH-LQVOSPDESA-N 494.639 5.305 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1826691626 YYXCJLVFMJEIOU-LJQANCHMSA-N 488.451 5.201 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)oc2ccccc12 1828123834 PFKYNDKYXNUTDZ-SANMLTNESA-N 483.612 5.479 30 20 JKED CN(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c2ccccc12 1828169420 XNFOORGZROMFHX-MUUNZHRXSA-N 494.639 5.325 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(Br)cccc4c3)CC2)CC1 1828657121 XPVVCPMEAZDRGP-QHCPKHFHSA-N 494.433 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 1828827550 XLNNZHQRMFCLBX-XNMGPUDCSA-N 472.633 5.145 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1828829230 FZQQRCZIDWKRON-IZZNHLLZSA-N 477.649 5.347 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1828830134 LRZBPFFRHIWTQA-RPWUZVMVSA-N 476.583 5.636 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829069289 UTRSPCHGUKFPOY-IBGZPJMESA-N 453.549 5.259 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)CC1 1829420474 CKYCNJVPSPKVFS-LJQANCHMSA-N 469.573 5.164 30 20 JKED COc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829486668 DDBUFIRXLYGFMZ-OAQYLSRUSA-N 474.743 5.041 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1829491486 QFNOBZPSXDKTGK-MUUNZHRXSA-N 478.596 5.167 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccncc34)CC2)c1Cl 1829689994 XVJCJIQZKWDUKZ-RUZDIDTESA-N 487.003 5.307 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1829999269 SGGGLWOJFMJHDA-XMMPIXPASA-N 483.534 5.319 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830055279 SEDBSGLDWQQBSF-CLOONOSVSA-N 497.561 5.880 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)CC1 1830683277 DGBQHSCONRXYET-ISKFKSNPSA-N 468.638 5.014 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCc3ccccc3F)CC2)c1 1830713902 OVMIRXBZZGOKDF-AREMUKBSSA-N 479.571 5.093 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)c1 1830716798 CGKXHNFILWMYIG-AREMUKBSSA-N 473.592 5.053 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831310672 VESITGBVDVFKKC-VGSWGCGISA-N 468.535 5.219 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1831447093 WVTKIPHRTBZTOL-OAHLLOKOSA-N 465.393 5.500 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)CC1 1832169674 BWFDCTPZAXTLIR-XDJBQHOISA-N 499.540 5.098 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c1 1832386055 NOTCAERGGLBHIT-GDWJQBMWSA-N 461.650 5.081 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832554992 LXQZTECXOJVGTO-BCHFMIIMSA-N 494.035 5.523 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c1 1832632729 BLERMGBWXXSQFU-BCHFMIIMSA-N 486.641 5.470 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3c[nH]c4ncccc34)CC2)c1 1832635923 YZFFBWTXFAWSPX-JIPXPUAJSA-N 497.643 5.056 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C)CC1)NC(=O)OC(C)(C)C 1832753965 NFLBXXQJHGTWPX-ZCYQVOJMSA-N 497.680 5.088 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)CC1 1836747612 BHRFIJUSAUJLSI-NLFFAJNJSA-N 475.073 5.290 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)CC1 1838422862 PTOOJCMEEFVSTD-UHFFFAOYSA-N 495.689 5.415 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3CSc3ccccc3)CC2)CC1 1838685386 ZPYDJQLCBOJBSG-UHFFFAOYSA-N 478.658 5.167 30 20 JKED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(-c4ccccc4)nc4ccccc34)C2)cc1 1843616825 HOQDIDRBDVOXMC-UHFFFAOYSA-N 486.575 5.099 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)CCC2 10832806 AMDHJFKQSKKCKH-UHFFFAOYSA-O 498.071 6.758 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc3c(c2)CCCC3)c(C)s1 11127680 MHKQXNYTVLOWHN-UHFFFAOYSA-O 471.671 6.735 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1cccc(C(F)(F)F)c1 11128392 PMVYQXMPNBFLHD-UHFFFAOYSA-O 488.555 5.754 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 11145607 BAKDEZVVQOZHHG-UHFFFAOYSA-N 467.550 5.626 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)cc1 11252538 QDVNNUWFKGZBJR-UHFFFAOYSA-O 461.607 5.634 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1cccc(C)c1 11268531 USOUQQRVCUMBIJ-UHFFFAOYSA-O 451.615 6.563 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 18774394 OJQDGBNGHAWHLW-UHFFFAOYSA-N 482.034 5.351 30 20 JKED CC(C)Cn1c(SCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F 21581790 NCVPHPIFIZXKAG-UHFFFAOYSA-N 490.526 5.019 30 20 JKED N#CCn1c(CSc2ncnc3scc(-c4ccc(F)cc4)c23)nc2ccccc2c1=O 22679358 QJFURPVFZQANLR-UHFFFAOYSA-N 459.531 5.023 30 20 JKED C=CCn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1[C@@H]1COc2ccccc2O1 23592025 NHIVECQNAIFUCL-DEOSSOPVSA-N 490.629 5.435 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1[C@H]1COc2ccccc2O1 27128817 VGRRRIAZXKFTDH-MHECFPHRSA-N 486.597 5.099 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(Br)ccc1OC 27128976 LYMDIYKWRSMCCR-UHFFFAOYSA-N 464.360 5.246 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1 28503584 VRIUOZJZJIPIQJ-MRXNPFEDSA-N 460.584 6.034 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)(C)C)cc2)c1 28780343 YLNDZGAPAZELGJ-UHFFFAOYSA-O 462.595 5.848 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1[C@H]1COc2ccccc2O1 32324846 APRKIJZDCORQCU-RTWAWAEBSA-N 485.009 5.385 30 20 JKED C=CCn1c(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nnc1-c1ccccc1OC 33475029 DOUTVQCFSOAHRA-KQWNVCNZSA-N 460.603 5.112 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(NC(=O)NC(C)C)cc3)c2)cc1 36832191 LEPHJZPGQHZMGS-FRKPEAEDSA-N 457.530 5.374 30 20 JKED N#CCOc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)c1 107965832 VVCDVXBZMJWHCC-UHFFFAOYSA-N 477.499 5.440 30 20 JKED COc1cccc([C@@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c2c[nH]c3ccccc23)c1OC 110524657 IZCVOFHSRCEUCQ-YWEHKCAJSA-N 497.595 5.408 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 302979661 KDPFHWFWVAPTQY-UHFFFAOYSA-N 453.373 5.425 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 303288506 LXSWOWNSENNMDK-KRWDZBQOSA-N 475.599 5.510 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1nc(-c2ccccc2)cs1 410149261 VHOGEWGAIHRYLP-RUZDIDTESA-N 481.577 5.585 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)cc2)c1 484312923 BFDGCXIEQVCGBN-UHFFFAOYSA-N 487.610 5.523 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1C#N 485468122 JTFOKMZJLOUJLT-UHFFFAOYSA-N 452.967 5.367 30 20 JKED CCOc1ccccc1C(=O)NCCCC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 501142070 KRVLUTVVLVCIHV-UHFFFAOYSA-N 473.548 5.148 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)c2)cc1 501463543 VEHVRHAGZZYRCA-UHFFFAOYSA-N 487.515 5.385 30 20 JKED Cc1ccc(C)c(-n2c(S[C@@H](C)C(=O)N(C)CCC#N)nnc2-c2ccccc2Cl)c1 501584137 WWBYFHKRSYCKDN-KRWDZBQOSA-N 453.999 5.057 30 20 JKED C=CCN(Cc1nnc(-c2ccccc2Br)o1)Cc1cc(Br)ccc1F 502176814 VGNVVBTZLUJTIO-UHFFFAOYSA-N 481.163 5.589 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C 502663037 VUCZFUONAWAMSE-UHFFFAOYSA-N 496.380 6.369 30 20 JKED CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccc(OC)cc1 503579398 MQMFQOPRRSJEKP-XMMPIXPASA-N 472.545 5.049 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 508294404 XORCZWBPKBTIBC-UHFFFAOYSA-N 484.581 6.380 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1F 510012722 ZIIWKLGJCNJEDH-ZJSXRUAMSA-N 473.939 5.779 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 512521833 KRBBECOKIZTBBC-KRWDZBQOSA-N 464.566 5.443 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 512964466 QJLLXXFNZWQTQA-UHFFFAOYSA-N 464.957 5.282 30 20 JKED N#C[C@H](C(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccc(C(F)(F)F)cn1 513170984 OEAUQHWTNFHRBU-SFHVURJKSA-N 475.264 5.932 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)N[C@](C)(C#N)C(C)C)o3)c3ccccc3n2)cc1 514319747 CXXVDFSUEYBNAG-AREMUKBSSA-N 471.586 5.407 30 20 JKED Cc1nc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)ccc1C#N 514323586 FULXSGXDJULOQY-GOSISDBHSA-N 472.492 5.230 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(Br)s3)cc2Cl)cc1 516005169 YUAILUHEJDALPO-UHFFFAOYSA-N 490.766 5.196 30 20 JKED Cc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1NC(=O)c1ccccc1F 516075020 PZHURIRIESNJDH-QGZVFWFLSA-N 462.431 5.621 30 20 JKED CCOc1ccc(C2(CNCc3cccc(OCc4cccc(C#N)c4)c3)CCOCC2)cc1 517550017 LIAASJKKTCMHFV-UHFFFAOYSA-N 456.586 5.374 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 517811692 IVJQSMGDOZCGEI-UHFFFAOYSA-N 463.493 5.803 30 20 JKED COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 518012783 BWYOPCWEBHEUGQ-KRWDZBQOSA-N 458.518 5.065 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 519880346 QYGXOFXKQFPRBQ-LJQANCHMSA-N 458.518 5.306 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 521101446 KANNUAGNIYMWLN-UHFFFAOYSA-N 486.622 5.384 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)c1 521119969 BQOSPVLBGJXUOZ-DEOSSOPVSA-N 461.949 5.061 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 521201354 GQLXZGYEQYAXIR-GFCCVEGCSA-N 462.415 5.510 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 521293575 ZWDJQRFHFLEIKB-INIZCTEOSA-N 478.788 6.264 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 521726776 OSONNYNNHLEXHL-VGSWGCGISA-N 479.005 5.975 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 524388685 SRBMLMVGBCFFIJ-INIZCTEOSA-N 465.893 5.413 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c2cccs2)cc1 524442876 IVEJSQNVCHDOIH-HHHXNRCGSA-N 459.615 5.804 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)cc2F)c1 524497661 TYDCIPVJZOOUSZ-UHFFFAOYSA-N 455.489 5.893 30 20 JKED COc1cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 585813504 VQKQEUSIHWKIKL-RYUDHWBXSA-N 453.345 5.635 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 588348860 AWPPBEJPMZIBSZ-LJQANCHMSA-N 494.359 6.651 30 20 JKED Cc1cccc(OCc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)c1 589878638 HMNBZEURNCOIQY-OAHLLOKOSA-N 468.604 5.136 30 20 JKED C=CCN(C(=O)Cc1nnc(-c2ccccc2)n1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 590417733 BRSXRFYJZKXAAG-UHFFFAOYSA-N 484.412 5.674 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)n2)cc1 603463965 XXLYFNVKAASWKB-UHFFFAOYSA-N 457.412 5.278 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 603872764 JWYHNSQIIUVYCJ-UHFFFAOYSA-N 467.978 5.123 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)o1 603952094 ZAOSBIYQEHZSES-UHFFFAOYSA-N 466.419 5.246 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cs1 603995321 BTZZVBIWCPMJHH-UHFFFAOYSA-N 468.538 5.407 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 604140818 AUJPKCIXWVCXTI-MRXNPFEDSA-N 493.947 5.227 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)cn2)c1 604302662 IAZPROWQJXBOEO-SFHVURJKSA-N 467.312 5.044 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(COCc3ccco3)c2)cc1 604361603 NSXGGUYTWBWCJU-UHFFFAOYSA-N 453.498 5.982 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604362482 LMZPWYRMBPJFDO-HOTGVXAUSA-N 485.428 6.690 30 20 JKED CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 604440625 LGGWJLITXNOBPA-UHFFFAOYSA-N 471.626 6.365 30 20 JKED C=CCN(C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604453211 MQDPFZKYYZSDMD-UHFFFAOYSA-N 494.573 5.666 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 608963553 SXPKYUIRWLWKOF-QHCPKHFHSA-N 466.965 5.857 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 608964590 UUXIOAKKHWENTG-UHFFFAOYSA-N 453.586 5.121 30 20 JKED N#Cc1c(NC(=O)CCN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)sc2c1CCCCC2 608977111 JEKFGDCOCJXOMW-XMMPIXPASA-N 497.064 5.319 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)c2)c1 608993794 AGXGPSMGOZOUQB-HSZRJFAPSA-N 495.366 5.723 30 20 JKED CN(Cc1ccccc1)c1ccccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 609047288 XJPMDIOFPFIDSN-UHFFFAOYSA-N 467.573 5.077 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609080594 IMCGBTSIJJDKLN-UHFFFAOYSA-N 480.340 5.126 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1Cl 609164855 YMRVNEPWIHGTGX-RSXGOPAZSA-N 495.966 5.794 30 20 JKED N#CCn1c(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc2ccccc21 609175456 FZHZUXWYOJKUQA-HXUWFJFHSA-N 455.345 5.105 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)cc1 609415268 IYWOZMXWDZYELO-SFHVURJKSA-N 480.659 5.187 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cc2)c1 609435972 SPQPOCWAPFCRSK-XMMPIXPASA-N 471.513 5.395 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2)c1 609437440 WVJLNBLMRBZUBK-GJZGRUSLSA-N 499.411 5.315 30 20 JKED COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1OC(F)F 613346457 KDDUZIJAROFVIC-CYBMUJFWSA-N 469.296 6.217 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc12 613407257 NGOKAYPFQDPMED-LLVKDONJSA-N 460.740 5.692 30 20 JKED C=CCN(C(=O)CSc1nnc(C(C)(C)C)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 614086892 JQKRNYSWTHDDJR-UHFFFAOYSA-N 483.446 6.109 30 20 JKED CC(C)Cn1cc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(C(F)F)n1 622517179 BPLRLOQGQCMZEI-MRXNPFEDSA-N 499.402 5.728 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CCCC2)c1 726413483 YAPIUIZWANRTRY-OAQYLSRUSA-N 496.430 5.333 30 20 JKED N#Cc1ccc(NC(=S)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1Cl 726434565 MLYYGLDQTKTSDU-UHFFFAOYSA-N 474.895 6.292 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(OC(C)C)cc1 726571479 VNDMBASNGUKLSN-UHFFFAOYSA-O 479.025 6.172 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)nc1 726888541 CBNZBSNCALLJDI-GOSISDBHSA-N 494.539 5.260 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C)cc2)cn1 726892871 WIFQPTFAYGAIDS-HSZRJFAPSA-N 488.613 5.176 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1cccnc1 728420945 KWLBMTATYLVCHV-CVDCTZTESA-N 483.597 5.292 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)cc1Cl 728777662 KFEPWVMWEOLASA-FQEVSTJZSA-N 488.972 5.142 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2CCCCC#N)c1 728777796 OVVCADAAZHOWLE-FQEVSTJZSA-N 499.980 5.211 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)c(Cl)c1 728778527 CVWYUHKCNNEXCS-FQEVSTJZSA-N 469.010 5.611 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)c1 728779095 GUTSPIRIXRUCIQ-XMMPIXPASA-N 491.661 5.530 30 20 JKED CC(=O)N(c1nc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cs1)c1ccc(F)cc1F 729150026 HXOVWZJVRIFDBL-IZZDOVSWSA-N 465.308 6.235 30 20 JKED Cc1ccc(Nc2nn(CN3CCC(Oc4cccc(C#N)c4)CC3)c(=S)s2)cc1C 729470833 BZSAQRMJGUENPD-UHFFFAOYSA-N 451.621 5.407 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)cc1 730717081 DRFCBNNTHLWEBH-QHCPKHFHSA-N 470.554 5.297 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)cc1 730719686 HWCBTRFUZSZMDL-OXQOHEQNSA-N 479.631 5.130 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1CCCCC#N 730722976 CPYDLYAQGHVGMP-OAQYLSRUSA-N 492.649 5.378 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944063 QOWINQZGTLRDBR-RDPSFJRHSA-N 472.614 5.098 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1F 730944629 DQYDXIQQGDUERT-AOMKIAJQSA-N 480.540 5.390 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N([C@@H](C)c2cccnc2)C1=O 730944998 JZXXXAAUIMCVOD-SBUREZEXSA-N 492.576 5.259 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)o2)cc1 731059838 BPQRJWGSCUVQAR-INIZCTEOSA-N 462.527 5.339 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1 731071189 MMQMGRRTUKUFJZ-INIZCTEOSA-N 479.583 5.190 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731075483 CCMUQYQRQZTDOU-GFCCVEGCSA-N 492.047 5.881 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 731309432 SHUXKEONFIVLNN-SBUREZEXSA-N 474.586 5.071 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731311007 UZBPFNRGZLLEAQ-IBGZPJMESA-N 491.400 5.353 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(Cl)s1 731312686 OFDUPJFFCFHFJO-IBGZPJMESA-N 497.001 5.139 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N([C@H](C)Cc2ccco2)C1=O 743523743 CEKPJUAJHLKZEF-UZUQRXQVSA-N 495.576 5.327 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccc(F)c(Cl)c1 747112415 UMQKWVQJSIGWEV-AWEZNQCLSA-N 482.751 5.799 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc([N+](=O)[O-])c(O)c2)C(=O)c2ccccc2)c(Cl)c1 748149153 ZRBIXUVVBUQIQW-LDADJPATSA-N 450.878 5.476 30 20 JKED CCc1nc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)nn1-c1c(Cl)cccc1Cl 749049376 QKOUTUCHJQUFBJ-INIZCTEOSA-N 478.339 5.251 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 749360762 FTDVPEGYXSTSOR-UHFFFAOYSA-N 478.556 5.638 30 20 JKED Cc1csc(SCc2ccccc2C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)n1 769455318 NTXXXLKANLWOPQ-UHFFFAOYSA-N 475.595 5.652 30 20 JKED COc1ccc(-c2nc(S[C@@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)nc(O)c2C#N)cc1 802831261 NHJJRVSKZOVUAU-XMMPIXPASA-N 498.564 5.210 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1[C@H]1COc2ccccc2O1 803124395 ADTAPSVWAGMINS-QGZVFWFLSA-N 490.557 5.022 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 837780381 NRSNBYFLKZKCFU-IQGLISFBSA-N 498.583 6.095 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1ccccn1 838219907 VDBKEMGNANQOSU-WAIKUNEKSA-N 494.567 5.644 30 20 JKED N#Cc1cccc([C@H]2NC(=O)N(Cc3cccs3)C(c3ccccc3)=C2C(=O)Nc2cccnc2)c1 840198180 ACNUYYGEKBCJJA-RUZDIDTESA-N 491.576 5.331 30 20 JKED O=C(COC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(F)ccc1F 843414509 HAQUYOFXZBTGDT-DAFODLJHSA-N 453.285 5.198 30 20 JKED N#Cc1ccccc1COc1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1 856580823 YBNWZZUTXQIYHI-QFIPXVFZSA-N 456.546 5.083 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CCc2ccc(C)o2)C1=O 915116632 LLBSIUMQDQWTOO-HSZRJFAPSA-N 477.586 5.108 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(CN2CCCCC2=O)cc1 915150865 ONLPAOVJJFFETI-UHFFFAOYSA-N 455.533 5.365 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 916204628 HQBDJJCLTHCXRM-LJQANCHMSA-N 481.952 5.005 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916210337 BSKCWUKNFMDQHV-QAPCUYQASA-N 496.391 5.272 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2ccco2)C1=O 916217365 LPWNTCXWOXTMEL-NRFANRHFSA-N 463.559 5.066 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=Nn1c(S)nnc1SCc1ccccc1 916368427 FPAZGVUHQKWRDO-UHFFFAOYSA-N 458.975 5.028 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)cc1 916546098 DZKOMTLPYRQZNI-UHFFFAOYSA-N 496.951 5.473 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)COC(c1ccccc1)c1ccccc1 916550870 UVOBQGMHDZCAJB-UHFFFAOYSA-N 466.331 5.431 30 20 JKED CCOc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CN[C@@H](CC)CO)c3C#N)C(C)(C)C2)cc1 916572164 WGTOAYVGIUFMPL-DUIUGDAFSA-N 479.646 5.096 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 916901790 QNJIUNHDKASVJP-KRWDZBQOSA-N 450.878 5.081 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916903112 LFHMJHKUCARWCR-NRFANRHFSA-N 481.474 5.979 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 916909554 KZMDIBOOHLDGDU-QFIPXVFZSA-N 462.933 5.451 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C 916911101 VLTUWJVQJKGCCV-JOCHJYFZSA-N 497.580 5.116 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 916922940 KLVWNBBOCPCTJF-HXUWFJFHSA-N 478.932 5.287 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 916925961 WDHUPDZPYBXEKT-MRXNPFEDSA-N 481.961 5.322 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916938913 MZKPFTYZZOZTED-GFCCVEGCSA-N 452.713 5.478 30 20 JKED C=CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 917045284 XICSWHZHKWEEHH-RRGWEWPQSA-N 458.461 5.778 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cccc(C)n3)C2=O)c1 917663658 VXMQPXXMNUXHKC-QHCPKHFHSA-N 476.577 5.306 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccsc2)cc1 917684855 OOBDMRYYOZYGSA-QFIPXVFZSA-N 493.610 5.120 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 917774004 FYWRIWBPNOLBHO-UHFFFAOYSA-N 459.571 5.914 30 20 JKED COc1cc(/C=C(/C(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)c2ccccc2)ccc1O 919168750 AABILVXDVWCPGL-JJIBRWJFSA-N 484.552 5.048 30 20 JKED CN1C/C(=C/c2csc(-c3ccsc3)n2)C(=O)/C(=C\c2csc(-c3ccsc3)n2)C1 920063031 SLFLWFXJRRIXRZ-DQCYIKBWSA-N 467.666 6.038 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)n2C)n1 921253720 VJPNKRITOZLGNY-HZPDHXFCSA-N 485.704 5.428 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CCO2)C1 1778890927 SYKZBXUFJGRUNC-UWPQIUOOSA-N 494.582 5.097 30 20 JKED COc1cc(F)ccc1C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785797926 WIVKRIPSQDIGFF-UHFFFAOYSA-N 471.532 5.086 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4C4CC4)cc3)CCC2)cc(C(F)(F)F)c1 1786055999 JPRWMFXEIGVQJL-FGZHOGPDSA-N 467.491 5.371 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)CCCOc4ccc(Br)cc4)CCC3)cc2)CC1 1787882483 ROPBWXBCQFJPGL-UHFFFAOYSA-N 496.405 5.046 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)cc(Br)c4)CCC3)cc2)CC1 1787883773 AXYFLXLCDJEJBI-UHFFFAOYSA-N 472.770 5.154 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C(F)(F)F)CCC4)cc3)CCC2)cc1 1787936965 KVISQJJZQVRSBQ-UHFFFAOYSA-N 455.480 5.233 30 20 JKED CSCC(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649266 HIDNHLIUDAMAQK-VAWYXSNFSA-N 456.633 5.010 30 20 JKED Cc1nc2ccccn2c1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1788927426 RWLMSESJFMHQSC-UHFFFAOYSA-N 486.692 5.442 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)cc2c1 1788964119 MZLUDJONKFVXOU-UHFFFAOYSA-N 462.553 5.604 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)cc2)CCC1 1789119346 PWJUEZIIINFGBL-OVCLIPMQSA-N 455.558 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1789456908 YUQBTUSDRNPGSL-JTHBVZDNSA-N 483.653 5.582 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4)CCC3)cc2)c1Cl 1790081675 KKLIZEJAZAMWIZ-UHFFFAOYSA-N 459.933 5.038 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)ccc1F 1790519138 JCCSRAAWJGUPES-UHFFFAOYSA-N 496.464 5.102 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)ccc1F 1790520588 COWSGYHGHUEDHU-UHFFFAOYSA-N 472.545 5.002 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)ccc1F 1790524758 UQYASXKBKGRERX-SANMLTNESA-N 467.491 5.120 30 20 JKED CCOc1c(F)cc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)ON=C(C)C)cc3)CCC2)cc1Cl 1790566413 AHUYYFNQROVDDY-INIZCTEOSA-N 489.975 5.426 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5cccnc5)cc4)CCC3)cc2)cc1 1790707095 CFANWAQCDAQXNC-UHFFFAOYSA-N 486.575 5.876 30 20 JKED Cc1cccc2cc(C(=O)NC3(c4ccc(NC(=O)c5n[nH]c6ccc(C#N)cc56)cc4)CCC3)[nH]c12 1790836269 ZHUSTNJJGWGMCO-UHFFFAOYSA-N 488.551 5.286 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5o4)cc3)CCC2)c1 1790852916 WXNHCMMYJNVYAB-SFHVURJKSA-N 464.525 5.516 30 20 JKED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791007380 NEYAZZUWNHYODF-NXVVXOECSA-N 493.563 5.192 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791244397 RFHNBSGBEDMGAT-SIBVEZHUSA-N 469.626 5.122 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791295905 AZZACQMOKLNSKX-FXAWDEMLSA-N 491.579 5.025 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(O)cc3Cl)cc2)CCC1 1791521441 IQEKZQHMTCDMTQ-VZUCSPMQSA-N 456.995 5.112 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nnsc4C4CC4)CCC3)cc2)c1 1792123544 HWCFBNKEZCJKDO-INIZCTEOSA-N 471.586 5.104 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1F 1792123878 DYVMXXZFLKWUGI-LJQANCHMSA-N 485.559 5.452 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)c1 1792123953 VHPAFMPAARDEJV-MRXNPFEDSA-N 481.474 5.987 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1792240918 ZZAUQDZBYFMXOV-UHFFFAOYSA-N 498.970 5.520 30 20 JKED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1OCc1ccccc1)C2 1793613065 YTPHRFPFFUATFV-ZBNTXBBCSA-N 487.065 5.125 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ccc(O)cc1 1797878178 JEDFHIOIWRABNK-NINFPKFFSA-N 476.661 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1)C2 1798337869 JUZIMDCSTSXZFN-FOECPVOOSA-N 485.672 5.266 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)[nH]c2c(Cl)cccc12 1799302725 MSQVTYPEMWMJDE-BJWYYQGGSA-N 481.383 5.220 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)ccc(Cl)c2F)C3)cc(C(F)(F)F)c1 1800744138 HIPKGGRKVRXZDF-MUJYYYPQSA-N 497.851 5.074 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cc(Cl)ccc2Cl)cc1 1801466396 GWDVQLXDEOXSBX-NUNAXRQHSA-N 484.427 5.069 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(Br)cc1 1802012600 BBUXICHPZRDBSE-QKQYJNTNSA-N 459.428 5.093 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(C)s2)[C@@H]1c1cccnc1 1802502182 XRKDHIPCOJFNCQ-DTNGHQKISA-N 451.636 5.163 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1803084794 WBMMBUGFAKIOFR-YIXXDRMTSA-N 468.601 5.026 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1803088816 HIJUBWSGIYHVJY-XCZPVHLTSA-N 459.634 5.222 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnc(-c4ccccc4)s2)C3)c1 1803680368 CMGTXPCKWVXOJV-OCYFJXFZSA-N 470.598 5.003 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 1806066491 CQDCWERAESYOLJ-XMMPIXPASA-N 450.648 5.153 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)[C@@H]2c2cccnc2)c1 1807468728 XDLBLVNHMAMVPN-WYMJOSIYSA-N 481.706 5.017 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc4c(Cl)cccc4s3)[C@H]2c2cccnc2)C1 1809443234 YWZORQMKUAGVNB-UZUQRXQVSA-N 466.006 5.236 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810175310 VHEPHTMQFUNKRX-PWHSHALESA-N 489.513 5.328 30 20 JKED C[C@H](CC(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1ccccc1 1810271616 IEHVUSSIAUTMDC-YRKKDBSBSA-N 489.736 5.332 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)CCC2CCCC2)[C@H]1c1cccnc1 1810275202 SEURYIOCKXWYTM-SQHAQQRYSA-N 467.730 5.109 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(OC)c3)C2)CC1 1810345259 SVESDWFROUHSFH-UHFFFAOYSA-N 489.660 5.594 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810501210 AMWHQKMIUAASFL-REWPJTCUSA-N 498.549 5.284 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(CC(C)C)cc2)[C@H]1c1cccnc1 1811629192 WDCCMBNCRJRDAL-ZONZVBGPSA-N 459.634 5.368 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811749555 YTGNIUNWPHJSAZ-NTKDMRAZSA-N 493.394 5.202 30 20 JKED CCCOc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1812026213 BKWXEVWYJVOSNH-LARUCZGFSA-N 496.611 5.131 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1812522997 WYIBTGWCTINWRV-KCWPFWIISA-N 492.063 5.446 30 20 JKED Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1Cl 1813827223 XBNQUWRYVWKYDX-BKMJKUGQSA-N 496.127 5.414 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c1 1813869469 HLKJELGDDMBDEO-IUBQTAPSSA-N 490.966 5.135 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)cc(OC(F)(F)F)c3)[nH]n2)C1 1814397492 LJFTXJXETNYDHC-GOSISDBHSA-N 482.890 5.234 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)[nH]n1 1814443203 PJSQYXSZXAIHOW-HXUWFJFHSA-N 465.623 5.626 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1814828475 BMBHMNDQXWQDKI-WOOPDLCSSA-N 458.562 5.630 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1815215132 FXAIOWXURILBJF-HRAATJIYSA-N 496.995 5.122 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1815247698 OSBMIHAMBXVVBB-AEFFLSMTSA-N 473.401 5.116 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1815247701 OSBMIHAMBXVVBB-WMZOPIPTSA-N 473.401 5.116 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[nH]n1 1815249107 SMSFWHPWDFKUOZ-UYAOXDASSA-N 494.583 5.107 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc3ccccc3c2)n[nH]1 1816827922 XJXVMZPDCJTJPR-OAQYLSRUSA-N 452.505 5.009 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccn3c2)n[nH]1 1817820610 WHGHDXWBXUWOKC-FQEVSTJZSA-N 481.698 5.081 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)ccc2n1 1818676869 RMJBPLGLDXSXHP-DWXRJYCRSA-N 492.583 5.513 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(F)CCCCC2(F)F)n[nH]1 1818889090 AMJMWRYXVREFLI-HTAPYJJXSA-N 454.537 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)[nH]n1 1819306097 WRAYTHDSKYIWOI-QPPBQGQZSA-N 469.589 5.546 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)[nH]n1 1819307219 QAHJAUFFVZOGSW-LPHOPBHVSA-N 465.579 5.201 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCCn3cccc3)n[nH]2)c1 1819526378 DHLHFVQOAKRNGE-YKSBVNFPSA-N 472.593 5.015 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)n3)n[nH]2)c1 1819751254 NOHRPPYPYDPNBY-YWZLYKJASA-N 496.493 5.070 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820219314 OHAHMTYYKMJATC-OAQYLSRUSA-N 494.020 5.341 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n[nH]2)C1 1821087406 AZKJNKCJYGAZJN-SFHVURJKSA-N 466.891 5.354 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC3CCC3)[nH]n2)cc(C(F)(F)F)c1 1821308751 DZJQQPBIXMHUGS-FQEVSTJZSA-N 473.499 5.186 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccsc4[nH]3)n[nH]2)c(Cl)c1 1821437086 FLAGECBAFKHNGI-LJQANCHMSA-N 478.965 5.097 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)[nH]n1 1821923543 YYZWENSJJLZUDW-DFBJGRDBSA-N 494.599 5.538 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1821925273 PDEYALUNCZVXCC-FZKQIMNGSA-N 452.452 5.086 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ncccc34)[nH]n2)c1 1823215053 MCHSJKJVQBVSFI-BVZFJXPGSA-N 478.556 5.205 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1824139303 JYXWVHUYLZHEGC-HHHXNRCGSA-N 461.650 5.407 30 20 JKED C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1 1824421040 COCBFHRZIZUZAJ-MRXNPFEDSA-N 457.555 5.072 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1824507969 GVJNTJAVMSTISO-CUNXSJBXSA-N 492.660 5.208 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1)c1cccs1 1827682846 OZNZWCNINIRKCC-BMOUEYTDSA-N 493.604 5.041 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2F)CC1 1827992192 MEASKMLADQAHJQ-JOCHJYFZSA-N 491.445 5.324 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828168328 PFZBDCOJBGPBHN-NRFANRHFSA-N 489.081 5.771 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828294073 PJVBYQYBMQXOLO-SQJMNOBHSA-N 468.041 5.823 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1828399876 CAEYQNQXOHXTNR-SDHOMARFSA-N 455.042 5.257 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1828713553 JNEJTEFYILWHSH-QHCPKHFHSA-N 485.550 5.290 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2C(C)(C)C)CC1 1828825230 UWMIIWYDYSYPLO-UPVQGACJSA-N 451.655 5.381 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1 1828826740 LFVSXXTYVUWBIB-IRLDBZIGSA-N 463.544 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1828830312 SSVVZZLXZOKAPM-ZEQRLZLVSA-N 468.638 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)CC1 1828832042 YHSFLPYWJDCAHK-QIXDEVMZSA-N 471.041 5.447 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1)c1ccccc1 1829030401 NWNJSUINURZYGD-LOSJGSFVSA-N 489.685 5.451 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1829068424 VMLMYUKFRNKXKR-HHHXNRCGSA-N 496.692 5.660 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1)C(F)(F)F 1829659086 WYNSDGHALCYQFF-SFHVURJKSA-N 494.888 5.293 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4F)CC3)CC2)c1Cl 1829692065 WKYGUTMTKAYLMY-XMMPIXPASA-N 494.010 5.316 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829867928 LNCWRIYZSXMNNY-NRFANRHFSA-N 497.064 5.266 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830536655 NTIZUQWYCXNEFQ-IBGZPJMESA-N 469.935 5.142 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830607700 HAIWKGRZGFXOCW-RUZDIDTESA-N 483.603 5.539 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c(Cl)c1 1830721551 IKJSDZFISPEJIP-QHCPKHFHSA-N 475.976 5.505 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)CC2)c(Cl)c1 1830889592 BXSCEWVATYNNEL-QFIPXVFZSA-N 481.021 5.302 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831017789 LPKWUOBHGAQGEX-HSZRJFAPSA-N 472.054 5.041 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831031563 GUIBHRWYXRNKQA-IBGZPJMESA-N 498.496 5.026 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831239911 NATHMWYVWVHNTH-QHCPKHFHSA-N 463.449 5.349 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831448054 FSYLVWOZYXFXQH-GOTSBHOMSA-N 464.572 5.396 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 1831859569 DCKIZXPIFOHKKU-GOSISDBHSA-N 458.908 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1831949326 UASRUSQPSJNNJR-NZQKXSOJSA-N 491.047 5.418 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@@H]3OCCc4ccccc43)CC2)c1 1832629095 ITMZHDLGJGNZGE-YDTRGFDASA-N 499.655 5.251 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1832634291 UDNQLICTXFBVRW-IDISGSTGSA-N 496.611 5.516 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc(F)c3F)CC2)c1 1832634714 UGKZHSYFUILQGF-KBMIEXCESA-N 479.571 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSc3ccccc3)CC2)c1 1832635209 WWJSIDCTFWXQKN-RLWLMLJZSA-N 475.658 5.339 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)C1 1845638493 WNEGXDMKJPQWOA-KRWDZBQOSA-N 490.829 5.169 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC2CCC2)C1 1847002924 VVWBPLCACKCWBS-QFIPXVFZSA-N 477.690 5.024 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2ccc(-c3ccccc3)cc12 1847264281 JUCJWCXPAZOAHC-ZEQRLZLVSA-N 456.590 5.038 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(SC(F)F)cc1 11114156 MFNIOMRCVZTANZ-UHFFFAOYSA-O 483.629 6.391 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)c2ccc(Cl)s2)c1 11684731 DCCWWLUJESOXMV-UHFFFAOYSA-N 470.959 5.044 30 20 JKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)o2)c1 17219011 KATAGCRGUMRKAT-UHFFFAOYSA-N 461.547 5.016 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccccc1OC 21673634 IQEIAVZIRWXYGT-GFCCVEGCSA-N 497.835 6.219 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1 22217412 LUTYWIJDNQXLJL-LBPRGKRZSA-N 451.354 5.696 30 20 JKED O=C(/C(=C(/S)Nc1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1cc(F)ccc1F 22799972 WQAGJMGWRAIENW-UHFFFAOYSA-O 475.943 5.975 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccc(F)cc1 24014775 WAQWUWULLIPEBT-QZTJIDSGSA-N 460.578 5.781 30 20 JKED COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OCc1ccncc1 25852455 BNFOEOCTVMCOAQ-UHFFFAOYSA-N 467.550 5.944 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 31639172 XYOHIJZVEXWRAL-CYBMUJFWSA-N 475.343 5.066 30 20 JKED CCN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 105907343 ITDTUGCXZOUVIF-IBGZPJMESA-N 471.586 5.160 30 20 JKED COc1cc(-c2cc(C(=O)N(C)c3cccc(C#N)c3)c3ccccc3n2)cc(OC)c1OC 109079764 QPXWNISGHAIIPE-UHFFFAOYSA-N 453.498 5.076 30 20 JKED N#C[C@@H](C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc(-c2ccncc2)cs1 195662431 RVTDQBGQTVBJBJ-FQEVSTJZSA-N 465.456 6.506 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cs1 303219713 UPFOBFCOGBKOSE-UHFFFAOYSA-N 485.634 6.755 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccccc1 303378066 VEDBBVFDWWXAMZ-FQEVSTJZSA-N 458.587 5.081 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1ccccc1)c1ccccn1 409471839 PYEVZWCIZNGPIG-JOCHJYFZSA-N 454.343 5.470 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 409852925 BEKGTXFDFQSIIR-SFHVURJKSA-N 480.611 5.654 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)c2)c1 410327854 WXTTZNPNWHKHIR-MUUNZHRXSA-N 489.531 5.332 30 20 JKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2Cl)n1 480378465 ODAOYOAGPUREDO-SJORKVTESA-N 464.957 5.107 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cc2F)c1 481655172 IGJZJWMBFMLXBR-NRFANRHFSA-N 465.550 5.551 30 20 JKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481664062 XJGCQIVFYUXAEW-GOSISDBHSA-N 474.536 5.126 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 482736140 VZIVUNHHEWCKQE-UHFFFAOYSA-N 486.622 5.549 30 20 JKED CCOc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCC(=O)OC 482813356 PLBQKOSIMRGPRJ-OAQYLSRUSA-N 478.932 5.198 30 20 JKED C=CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 488388553 WQVKICSQIOVFLJ-UHFFFAOYSA-N 473.558 5.500 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 490626892 BLJPRORZEBPXEQ-UHFFFAOYSA-N 460.331 5.828 30 20 JKED Cc1cccc(Cc2cnc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)s2)c1Cl 498312854 XMMVWKCWRSCZHQ-UHFFFAOYSA-N 474.007 5.026 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3sc4c(c3C#N)CCCCC4)oc3ccccc23)s1 499325140 AICILLLKJOJWHA-UHFFFAOYSA-N 480.640 6.339 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1 501132564 MPIOILYLRXGOMP-HSZRJFAPSA-N 478.346 5.718 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c1C 501561895 PGHMKNMGYFPMKI-UHFFFAOYSA-N 482.609 5.101 30 20 JKED CCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(OC)cc1 503561142 HNEGMSGIYZTLNA-DEOSSOPVSA-N 457.530 5.345 30 20 JKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 505864515 MRYLGCYPYJTPJW-UHFFFAOYSA-N 477.464 6.062 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1CC 510249068 JAKGINUQVWRBOQ-UHFFFAOYSA-N 470.602 5.034 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513205420 CRBDABOIJWAPDT-MRXNPFEDSA-N 463.257 5.156 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c3c(C)noc3n2)c(C)o1 515427677 DCQZAPNXSGZDHC-UHFFFAOYSA-N 470.407 5.473 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cc1 518100079 UILSDOYCEOCPPB-VWNXMTODSA-N 476.374 5.772 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)s2)cc1 518104072 TVDFYXRGVXFOCG-SFHVURJKSA-N 496.592 5.907 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 518141366 QRXNFCMSDHVHKZ-QGZVFWFLSA-N 465.600 5.300 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1c(F)cccc1Cl 518578087 PRYOJJAJKIWNDX-UHFFFAOYSA-N 451.885 5.049 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)sc2nc3n(c(=O)c12)CCCCC3 519030095 AJFXQHXPUGMORT-UHFFFAOYSA-N 470.554 5.409 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Br)s1 519401063 FLCBGANOUNDZJN-UHFFFAOYSA-N 471.345 5.336 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OC(F)F 519989562 ZIQLIGXJAXJNKK-UHFFFAOYSA-N 453.445 5.624 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OCc3cccnc3)c2)cc1 520394787 KDZLWAVKIGUHRU-UHFFFAOYSA-N 451.551 6.077 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)s2)cc1 520606451 WURJRHWXWLWZNO-UHFFFAOYSA-N 473.602 5.446 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 521692009 IBLQIVFMSIYPMG-UHFFFAOYSA-N 478.543 5.206 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cc1 522312938 YJALORDKVDXZEP-UHFFFAOYSA-N 486.553 5.129 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 522448904 ZPZZVOUBQFZNEO-SANMLTNESA-N 491.547 5.398 30 20 JKED CCCOc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 523129722 QHHFMRJVXPDYSG-UHFFFAOYSA-N 461.537 5.407 30 20 JKED COc1cc(CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C2CC2)ccc1OC(F)F 524290055 VQZKMMSXGABSMC-UHFFFAOYSA-N 484.528 5.412 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 524383759 UMTXLGCTBIRLHV-HXUWFJFHSA-N 496.567 6.110 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 524388433 CWFOBWCZKSNDMW-UHFFFAOYSA-N 466.516 5.512 30 20 JKED CN(CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1)Cc1cccc(C#N)c1 549560139 YOBHWCHTZOAXDN-UHFFFAOYSA-N 470.573 5.486 30 20 JKED Cc1ccc(-c2cc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)n(-c3ccccc3)n2)cc1 585719956 XAMCMDRXODHQSK-UHFFFAOYSA-N 451.530 5.008 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 603803134 IVNRYHHFHYIZHY-ISKFKSNPSA-N 455.949 5.640 30 20 JKED N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 603976368 MCIYOSGEDAOFAW-UHFFFAOYSA-N 453.829 5.219 30 20 JKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 604084760 IBLJTODZOOJYHR-VWLOTQADSA-N 455.558 5.579 30 20 JKED C[C@@H](OCCCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 604139445 LIOKVGLRNYXMLY-DVECYGJZSA-N 475.976 5.218 30 20 JKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 608796171 HXRZEYUHIWFLOS-QHCPKHFHSA-N 457.530 5.297 30 20 JKED Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 608845208 LHERXEKIQDDMFT-UHFFFAOYSA-N 459.933 5.099 30 20 JKED CC[C@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 609019394 SXWCITLUKQOJCF-IEBWSBKVSA-N 450.564 5.048 30 20 JKED CCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609088864 LIVJLANHTBIJJG-UHFFFAOYSA-N 479.939 5.307 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ncc(Cc4ccc(Br)cc4)s3)CC2)c1 609199438 HOGVFYFMEGTCNO-UHFFFAOYSA-N 497.418 5.443 30 20 JKED O=C(C[S@](=O)Cc1cccc(OC(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609251184 CAYMABIOHQXSSZ-WJOKGBTCSA-N 475.357 5.213 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 609404093 TUYVLEKKBRPGAF-UHFFFAOYSA-N 494.926 5.143 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319277 BLOIDMNVUQPOPL-JOCHJYFZSA-N 484.968 6.180 30 20 JKED N#C[C@@H](C(=O)c1cnn(Cc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347386 ZLOHINJXTJBYNY-SFHVURJKSA-N 453.354 5.852 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 613407079 HNVMZNLXUQVNPV-HNNXBMFYSA-N 451.960 5.778 30 20 JKED CC(C)c1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 618304757 ZAIICYWQVQQPGV-STQMWFEESA-N 451.386 5.338 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc2ccccc2n1C(F)F 642282424 QCJJQFITVSTLJU-LLVKDONJSA-N 463.341 5.265 30 20 JKED O=C(NCc1ccc(OCc2cccc(F)c2)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642767433 JPZRQZWTYHGZRD-DZFIZOCASA-N 492.435 6.113 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccccc2)nc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 680462218 IJWYNTJBEJQEBI-UHFFFAOYSA-N 489.622 5.417 30 20 JKED C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nnc1-c1ccc(OC)cc1 685007426 RWCFRQKYLYLJTH-UHFFFAOYSA-N 473.480 5.100 30 20 JKED CCOc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\[C@H](C)c1cccs1 726420522 INGDOANLNXKJOY-LBFQSERASA-N 494.642 5.132 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S/C1=N/[C@H](C)c1cccs1 726420799 JDVSMKFVLURROE-PKWGXKOHSA-N 481.643 5.328 30 20 JKED COc1cc(/C=C\C(=O)c2sc(-c3ccc(Br)cc3)nc2C)cc(OC)c1O 727779991 DNWSKVSVUQOFHB-WTKPLQERSA-N 460.349 5.500 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CCCCC#N)C2=O)c1 728780382 SAGYDTIQBLLNHT-JOCHJYFZSA-N 494.020 5.483 30 20 JKED Cc1csc(Nc2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)n1 729337824 ZXOWCKGIGBDEOI-UHFFFAOYSA-N 456.575 5.841 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ncccc2C)C1=O 729634857 VNFHAZVVBFWATD-JOCHJYFZSA-N 495.004 5.213 30 20 JKED N#CCN1CCC(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc23)CC1 730502424 QZOGNLZKIPCTQL-UHFFFAOYSA-N 473.791 5.580 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2OCc2cccs2)n(Cc2ccco2)c1C 730614298 PDXPTYXNCMDRCO-UHFFFAOYSA-N 489.553 5.054 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)O[C@H](C)C2 730685638 AZCZKXAHRUEJGS-BLEKSLEDSA-N 479.001 6.166 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1)O[C@@H](C)C2 730685704 BIIDYEHCZJETQZ-SMYALWGKSA-N 460.574 5.373 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1cccc3ccccc13)O[C@@H](C)C2 730688353 VBKILRVRQYJHQI-CISPJPAASA-N 454.526 5.013 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730720839 WPNUVMHXAOEXHZ-NFBKMPQASA-N 492.004 5.242 30 20 JKED O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(-c2ccc(C(=O)O)o2)cc1 730949069 QZMYDIKKAVPJML-KMKOMSMNSA-N 458.422 5.411 30 20 JKED COc1ccc2cc(/C=C\C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2c1 731070835 UGUXSJHGGVDFBJ-QCSXQHJISA-N 460.555 5.438 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(Cl)cc2)cc1 731305298 BQDSGELKGPKKFD-QFIPXVFZSA-N 490.972 5.078 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)s2)cc1 731305949 QNQOKKVLHLNTFN-NRFANRHFSA-N 465.600 5.231 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 731352209 SIKPHCNJFOEVKU-IBGZPJMESA-N 458.587 5.061 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c1=S 732527364 HNCLHZSTZIFSJR-VWLOTQADSA-N 491.661 5.192 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 743525003 OFAXCGIWLFELMX-HFMPRLQTSA-N 494.636 5.030 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cc2ccccc2[nH]1 746693850 FONLJXVVAKOGAG-DEOSSOPVSA-N 497.555 5.339 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O)Nc1ccc(F)c(Cl)c1 747600405 QOUGKKXNJWYWLW-GOSISDBHSA-N 488.997 5.139 30 20 JKED C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)N(CCC#N)c1ccccc1 782024136 AYJQHCPFMCFFSY-SNVBAGLBSA-N 461.132 5.187 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1ccc2ccccc2c1 799212276 SMGHBOLZYXXBTO-IBGZPJMESA-N 475.467 5.502 30 20 JKED Cn1c(COc2ccccc2Cl)nnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 803291265 KYAVSJPSEIDREX-MRXNPFEDSA-N 496.017 5.140 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 818135644 SFBFVKBSFCGEEQ-HXUWFJFHSA-N 496.932 5.164 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 837703876 HDQVDNHALDCQHZ-IIBYNOLFSA-N 464.978 5.457 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2C)C1=O 837739112 ALHMMGRRVCKEGL-HSZRJFAPSA-N 477.561 5.303 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837783530 GZFZGUYUVCFIOY-VGOFRKELSA-N 479.005 5.765 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1OC 838533493 JIORDTBPERUOER-HXUWFJFHSA-N 475.998 5.118 30 20 JKED C[C@H](OC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)C(=O)Nc1ccccc1C#N 899997683 DHYOZVODCOFFKJ-INIZCTEOSA-N 455.445 5.203 30 20 JKED Sc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1 912801267 HCGUCOOSSVMFPS-DEOSSOPVSA-N 486.597 5.459 30 20 JKED CC(C)n1ncc2cc(/C=C/C(=O)c3ccc(OCC(=O)Nc4ccccc4)cc3)c(Cl)nc21 913617480 DCNWMTCVKYVZHK-JLHYYAGUSA-N 474.948 5.579 30 20 JKED COc1cc(/C=C\C(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCc1c(C)noc1C 914502602 WDSINPIDGVLNLW-QBFSEMIESA-N 459.546 5.201 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 914951177 FBUNUIWLWMCCTF-LJQANCHMSA-N 493.412 5.058 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2C(F)(F)F)c1 915086411 UZIWSMLLSREHJP-JOCHJYFZSA-N 460.459 6.107 30 20 JKED Cc1sc2ncn(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c(=O)c2c1C 915102734 FWUABVXNIFCJSD-AWEZNQCLSA-N 489.409 5.382 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cnn(-c2ccc(Cl)cc2)c1 915958390 BJDOZLSIYSSEHC-UHFFFAOYSA-N 479.780 5.174 30 20 JKED CCCC1C/C(=C\c2ccc(OCC#N)c(OC)c2)C(=O)/C(=C/c2ccc(OCC#N)c(OC)c2)C1 916137895 MBIHRRJNRMGGJE-WPHIWBHXSA-N 486.568 5.755 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O 916204322 CDRJDWHDIXGBJJ-FQEVSTJZSA-N 469.950 5.102 30 20 JKED COc1cc(C=Nn2c(S)nnc2C(C)(C)C)ccc1OCc1cccc(C(F)(F)F)c1 916308658 QIHAIQXPXHZBNN-UHFFFAOYSA-N 464.513 5.353 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)nn2C(C)(C)C)c1 916387536 FHAYSEBNYNRULT-UHFFFAOYSA-N 487.025 5.234 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(NS(C)(=O)=O)c1 916708727 IBPMEUOWZFGUPR-OPAMFIHVSA-N 482.993 5.250 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccc(F)cc1 916886541 HTOOAIJRXWDKIK-HXUWFJFHSA-N 457.477 5.509 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 916897880 UYNLKZJKNBQNOT-OAQYLSRUSA-N 466.324 5.515 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916902977 JLGJYKYGMSVFRD-JOCHJYFZSA-N 470.529 5.293 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916908624 QOPNQUNWFIUPBL-XMMPIXPASA-N 462.553 5.625 30 20 JKED CC(C)(C)C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995798 HYVRJCMUBMBVMX-YOEHRIQHSA-N 450.391 5.330 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1cc(F)ccc1F)[n+]1ccc(Cc2ccccc2)cc1 917612126 IIIUKHUXTPXGOF-UHFFFAOYSA-O 484.551 6.038 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)cc1 917667482 VLTZPDUIFNXCPQ-ISJGIBHGSA-N 490.673 5.397 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c1 917669101 NTRMNUIBJWYIMP-HSZRJFAPSA-N 472.545 5.166 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917703459 MOLWHLICHXGTKL-UZUQRXQVSA-N 490.560 5.272 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2C#N)s1 917704447 VJNZGLZBSUMPPS-OAQYLSRUSA-N 478.574 5.228 30 20 JKED CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(Cl)cc1Cl 917728220 PQSVUAPJTBDJHD-HNNXBMFYSA-N 498.432 5.395 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(OCc2ccccn2)c1 918425968 KVWQWTDCPKDNTG-LYZGTLIUSA-N 490.563 5.132 30 20 JKED COc1cc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)n2)cc(Cl)c1OC 918492903 XJKKEGGTPGYXER-MRXNPFEDSA-N 494.960 5.340 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1F 920016774 HEMFVIVVJRMMGV-UHFFFAOYSA-N 481.549 5.081 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c(-c4ccc(F)cc4)c(C)sc3=O)n2)cc1 920138775 JEOFSRURVYGTSK-IBGZPJMESA-N 479.558 5.033 30 20 JKED COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 920457807 CZMSZSXWKUEDRN-UHFFFAOYSA-N 494.507 5.267 30 20 JKED Cc1ccc(OCc2ccc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)o2)c(C)c1 920586285 JKUWHLHDRNEDEC-INIZCTEOSA-N 464.543 5.081 30 20 JKED N#C[C@H](C(=O)C1c2ccccc2Oc2ccccc21)c1nc(O)c2c3c(sc2n1)CCCC3 1515042270 MWRZPUGTTDNIQM-QGZVFWFLSA-N 453.523 5.390 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cnc5ccoc5c4)CCC3)cc2)c1 1786041028 ZEAWZSITXDXLPI-UHFFFAOYSA-N 464.525 5.080 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cn4ccc5c(F)cccc54)cc3)CCC2)cc1 1786107987 ZOIQUXRDFAJOIB-UHFFFAOYSA-N 466.516 5.100 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC(c5ccccc5)=NO4)cc3)CCC2)c1 1786319056 KEDMGLNYWMCJMI-DCFHFQCYSA-N 492.579 5.255 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(C)snc4s3)CCC2)cc1 1786372610 ZYUHDQUSQUUGBY-CQSZACIVSA-N 455.605 5.005 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3C(F)(F)F)CCC2)cc1 1786375046 KDUCHPKXGSPYBG-HNNXBMFYSA-N 464.459 5.183 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)coc3C)CCC2)cc1 1786679044 WZEJZZKRWWNFHE-UHFFFAOYSA-N 452.498 5.274 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5nc(C)ccc5o4)CCC3)cc2)c(O)n1 1787173302 FXQHNCDDPPFBIQ-UHFFFAOYSA-N 496.567 5.417 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)c(C(F)(F)F)o1 1787398227 CQIALZLVOASRJU-XODNFHPESA-N 473.451 5.067 30 20 JKED Cc1ccc2nc(C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)sc2c1 1787573364 OHUDIHFRYKSCHW-JFLMPSFJSA-N 472.570 5.065 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)CCc4ccsc4)cc3)CCC2)ccc1F 1788186819 HPPNSRZUTTUJFM-UHFFFAOYSA-N 461.562 5.068 30 20 JKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)ccc2s1 1789047845 QZZXEVIGYIATGT-UHFFFAOYSA-N 496.592 5.303 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(Br)c3)CCC2)cc1 1789455758 CCSBFCCWSWDLBC-FQEVSTJZSA-N 468.395 5.360 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)CC3CCC(C)(C)CC3)cc2)CCC1 1790571145 VTKAEAFXHIDMJI-UHFFFAOYSA-N 454.611 5.236 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC(=O)Nc4ccccc4)CCC3)cc2)cc1 1790705405 WFPVYRIFCFGDPA-UHFFFAOYSA-N 494.595 5.309 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707866 UIKNYWCUEIMIFZ-UHFFFAOYSA-N 481.474 5.734 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)c1 1790763720 KGURZYUGDMZCNM-UHFFFAOYSA-N 464.500 5.307 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5[nH]4)CCC3)cc2)c(Cl)c1 1790767309 XINJHJUICRGTLG-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C(F)(F)F)CCC2)cc1)C(F)(F)F 1791302965 FVYBIAKOCPSQEK-UHFFFAOYSA-N 485.428 5.286 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CSC4CCCC4)CCC3)cc2)c1 1792123389 YHHOYEKGOJEPKJ-LJQANCHMSA-N 461.631 5.737 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](CCC)CC1)C2 1800131545 FQWHTVSFVURGKB-WMGXJHCHSA-N 489.701 5.091 30 20 JKED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800812529 PBEBNTZRRXCWHI-WJMWBRGCSA-N 460.599 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2cc(Br)ccc2c1 1801013951 DGDVCGGTFCHEFR-WKCHPHFGSA-N 484.438 5.242 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)cc3)CCC2)c(Cl)c1 1801549299 HFVZWBOPDCEHSD-WKCHPHFGSA-N 482.411 5.239 30 20 JKED CC(C)c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)cc1 1801858457 WMTGNMUKOPDMHV-BKFWDETESA-N 483.534 5.195 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C2 1802626419 PELTVYCPKRHWSK-KOUNCHBCSA-N 483.534 5.213 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)CCCc3ccccc3F)[C@H]2c2cccnc2)c1 1803120698 GLXQSAJECCKXKU-BHAWFMJASA-N 498.602 5.190 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803223316 APOJOGIPDOEQFA-ONTLXTELSA-N 488.097 5.135 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)C1 1806014610 VCOTVGKYJBKVFL-UHFFFAOYSA-N 491.657 5.277 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1806410379 NNNVKMAPDPSGLT-XCZPVHLTSA-N 469.629 5.476 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1809107717 MWFPKXVBKPUSBE-NZQKXSOJSA-N 476.646 5.312 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc4occc4c3)[C@@H]2c2cccnc2)c1 1809349857 SBCLDFBYQRTPFF-JRLVAEJTSA-N 478.552 5.088 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C)c3)C2)CC1)C(F)(F)F 1810360767 NDVBNGNFVMXVQT-UHFFFAOYSA-N 471.523 5.020 30 20 JKED N#CC1(C(=O)N2CCC3(CCCN(C(=O)c4cccnc4-c4ccc5ccccc5c4)C3)CC2)CCC1 1810401573 YFQZVJZUGXQNNV-UHFFFAOYSA-N 492.623 5.440 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810491661 GEOMOHVOZOPBLY-YHPQFSOISA-N 499.577 5.812 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c1Cl 1811423635 BMFOCNOOWBCEMN-NVQXNPDNSA-N 499.014 5.048 30 20 JKED CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1811743996 URTRWXKHFBOTMS-ZEQKJWHPSA-N 487.003 5.193 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc4occ(Cl)c4c3)[C@@H]2c2cccnc2)c1 1811939928 RMQPCELOTNCLAD-HFZDXXHNSA-N 498.970 5.295 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1812592314 RZOPSPTUXMMNQO-QNXIHNPRSA-N 498.652 5.823 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1812790931 YXJHQICHMVEIQT-MDJJAXGLSA-N 493.051 5.533 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1812984530 DDDWUDWGNSPABZ-WNCULLNHSA-N 492.063 5.446 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)[nH]n1 1814440127 KYAILHCXWLKZHQ-XDGVHFHYSA-N 452.521 5.127 30 20 JKED CC[C@H](C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)ON=C(C)C)[nH]n1)c1ccccc1 1816847564 GCDXAHILOKBXML-ZFMISHDWSA-N 467.614 5.033 30 20 JKED O=C(CCc1ccccc1Cl)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1817001311 UUEUAHGWDBUFMC-RPAADVPWSA-N 497.020 5.189 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nccc3occc23)n[nH]1)c1ccccc1 1817716142 SLDHGJKWVSBMNQ-REWPJTCUSA-N 481.556 5.054 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)cc2c1 1818567818 ZTZDPZDAODAZEO-BVZFJXPGSA-N 480.572 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818812810 PWGLAIBFFOMYDN-DOZDWOLESA-N 458.562 5.630 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COCc2ccc(C)c(C)c2)[nH]n1 1819306030 VDFKVHWFAILPBQ-LADGPHEKSA-N 464.610 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[nH]n1 1819307824 OMMLKWDOJQETNI-GAJHUEQPSA-N 493.011 5.528 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)[nH]n1)c1ccccc1 1819518787 FKAVZOLWUNWMLN-RXVVDRJESA-N 497.521 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)[nH]n1 1819552713 YBGNQSXMCSFWCL-XMMPIXPASA-N 473.621 5.575 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)[nH]n1 1819552772 ALJVMXROBJXVLT-NRFANRHFSA-N 473.017 5.299 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3nc2Cl)n[nH]1 1820159579 NQOXCAHFEXWUFY-RBZFPXEDSA-N 487.938 5.408 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1C 1820541454 VVLMGHDMQRFERJ-NTKDMRAZSA-N 455.562 5.273 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1820656236 SCCRALZLVSNERN-KSFYIVLOSA-N 491.979 5.318 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccc(F)cc34)[nH]n2)cc1 1821182813 IFKJMBVKNDIMHR-RUZDIDTESA-N 498.562 5.035 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccc(Br)cc3c2)n[nH]1 1821425790 HCTXQQUSWZCMPA-VFNWGFHPSA-N 496.409 5.239 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](c3ccccc3)N(C)Cc3ccccc3)n[nH]2)C1 1821755534 CYEKUXITVQHHAD-IAPPQJPRSA-N 497.643 5.241 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)CCCCC)[nH]n1 1822307195 VJJFGSSMBRCQMW-ZVDOUQERSA-N 489.661 5.088 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823218160 YUUBUZLUQNBGIO-CPJSRVTESA-N 469.589 5.284 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@H](C)c3ccccc3)[nH]n2)cc1C#N 1823294482 ONABDRXZNMGOLG-CPJSRVTESA-N 499.615 5.568 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1823885345 QRBIIGQEYKFYSI-JOCHJYFZSA-N 472.589 5.211 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824986699 DDPVKQORCXVFQK-IZZNHLLZSA-N 487.084 5.887 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCCC3)CC2)ccc1Br 1826263950 GGAABOVGMYUPNQ-HSZRJFAPSA-N 486.454 5.134 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2noc3ccccc23)CC1)c1ccccc1 1827087362 GIQWTIICWIJPDT-LBNVMWSVSA-N 497.639 5.187 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 1828882253 LHTVHJCVHVBFBN-ATPOPXNDSA-N 468.682 5.009 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1828891100 SXYIAGUPEJQMGB-GBXCKJPGSA-N 483.653 5.333 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c(Cl)c1 1829140751 GPNIQUXPHWYNNO-HXUWFJFHSA-N 492.929 5.106 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1829633302 VHSZWGVILAUJHJ-QHCPKHFHSA-N 487.978 5.203 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)c1 1829677184 JNRRCUOFXYFLKI-LSCGWGKXSA-N 479.665 5.263 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Br)c2F)CC1 1830502648 DNCCBBCESNZJSR-SFHVURJKSA-N 487.360 5.033 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578290 LMOYDKGSYMYKSG-KKSFZXQISA-N 486.962 5.183 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1 1830717552 XBOSTJIVKZWAJX-QHCPKHFHSA-N 471.935 5.037 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(C(F)(F)F)coc3C)CC2)c1 1830767925 DSRPYFVYMLHDIB-JOCHJYFZSA-N 487.522 5.334 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1831373343 CMKOLGKIMAGLBO-HOYKHHGWSA-N 469.029 5.176 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1831522982 FRYIEKLLVKNMSU-NEKDWFFYSA-N 471.645 5.488 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1831565381 FRZGTLHARAIPJJ-KJOQGJGQSA-N 489.664 5.130 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1832028234 JIZGLGVDZDIUEF-XMMPIXPASA-N 455.042 5.185 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c(Cl)c1 1832607953 SYYHCBLUBCLIIH-RUZDIDTESA-N 464.009 5.262 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc(C)c1O 1832635422 DNBPHQKNOSFZGS-QFQXNSOFSA-N 473.617 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@H](CCC)CC3)CC2)CC1 1833079013 FNLKCCRHQVDVOI-YHBQERECSA-N 459.719 5.157 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)CC1 1836695071 WLTOVTUDIPZDEA-MHZLTWQESA-N 466.666 5.193 30 20 JKED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)cc1 1845278995 WJZIGNYDUADQEY-NDEPHWFRSA-N 499.561 5.206 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)C3)cc1C#N 1846879461 RVPHIHMQURLVGC-RUZDIDTESA-N 494.035 5.256 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10170975 WJYSBAGMFSGPLA-UHFFFAOYSA-O 498.584 6.288 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 10173396 AOKJBLSMZYZSNR-UHFFFAOYSA-O 492.665 5.753 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(O)c2)c1 10174167 XCSKFUZQTSUDBJ-UHFFFAOYSA-O 461.485 5.246 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1cccc(Br)c1 11084565 UYOLVVRCWUYERZ-UHFFFAOYSA-O 474.831 6.003 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccs1 11182394 WMAOOGPKQGPZJQ-LMKMVOKYSA-N 495.626 5.329 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(CO)c1 14871811 BRCTWJAUZHWIIG-UHFFFAOYSA-O 467.614 5.747 30 20 JKED CC(C)CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 16976765 FSVWVOKKUCRTJU-QGZVFWFLSA-N 484.025 5.548 30 20 JKED C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 21643069 OULWQCYHHCEPBC-HNNXBMFYSA-N 491.667 5.596 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NCc2ccccc2)cc1 22730690 ICXMNOXXRGDCGH-UHFFFAOYSA-O 453.578 5.885 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731203 ZWAJURINYJOHGV-UHFFFAOYSA-O 484.645 5.580 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22732169 LOZUMVVFZSTWAF-UHFFFAOYSA-O 499.631 6.462 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1 23501039 XRIHUUOKOWIBQJ-INIZCTEOSA-N 489.091 6.361 30 20 JKED COCCCn1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nnc1-c1ccccc1Cl 24908512 HPGKKDSRBYUULK-UHFFFAOYSA-N 479.009 5.293 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc3c(c2)CCCC3)c1C 28793534 SSFRCPVLWUZVHK-UHFFFAOYSA-O 476.622 5.025 30 20 JKED Cc1ccccc1-c1csc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 31787097 KEHXDWUWRBRQJP-UHFFFAOYSA-N 459.531 5.093 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 45930975 GLLXGGKQFKPQPH-UHFFFAOYSA-N 487.566 5.107 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 108846944 GZAXSQOUCXFLMX-UHFFFAOYSA-N 458.568 5.533 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3)n2)nc2cc(Cl)ccc2c1=O 109069654 KKBGHCMJJSKGEW-UHFFFAOYSA-N 483.018 5.166 30 20 JKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2Cl)n1 109338275 WHZZVLKSVZOURZ-IBGZPJMESA-N 497.986 6.144 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 195616988 QBVMVTWEAUTIOI-VWLOTQADSA-N 463.585 5.093 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 303004865 PCGLEOWENAXZSX-UHFFFAOYSA-N 478.393 5.300 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)cc2Cl)c1 303229448 XJPUMEMSNUXRKE-DEOSSOPVSA-N 499.954 5.363 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)cc2)c1 303333257 KDCOBJDQLFFUBI-UHFFFAOYSA-N 473.941 6.570 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cc2)c1 303349744 NGPGDOVOTOECCD-QHCPKHFHSA-N 478.346 5.718 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481080041 QADHMDJUTHJNCA-MRXNPFEDSA-N 488.544 5.044 30 20 JKED C=CCN(C(=O)Cc1ccc(Cl)cc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491028276 OGAWEKUHCPQEAY-UHFFFAOYSA-N 481.426 5.282 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 499531833 QNBJANCYFBXNOV-UHFFFAOYSA-N 464.594 5.361 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)COc1ccc(Oc2ccccn2)cc1 501145558 CGUZWHIFQXBPGW-UHFFFAOYSA-N 467.500 5.805 30 20 JKED C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 503254393 MAAIXWWHXUWKGM-HNNXBMFYSA-N 462.600 5.265 30 20 JKED Cc1nc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)sc1SCC#N 504724818 IYFXDZPLEUUTJB-UHFFFAOYSA-N 454.606 5.374 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2nccs2)nnc1-c1ccc(Cl)cc1 505042626 VEHCLNYUMPGFSR-FQEVSTJZSA-N 482.034 5.239 30 20 JKED COCCSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 507451827 RQEDCEYVSDKMSV-SJORKVTESA-N 457.665 5.305 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 508129449 ANFRHHARGSNRFU-UHFFFAOYSA-N 470.504 5.404 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 508142585 LOGMKIXPDHRTPG-UHFFFAOYSA-N 483.593 6.187 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 510004807 HRDIYBGZXRIJJW-VWNXMTODSA-N 490.394 6.293 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 510007615 ZBUJLVDZGIDBMC-RUZDIDTESA-N 487.003 5.684 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)Nc4nnc(SCc5ccc(C#N)cc5)s4)CC3)c[nH]c2c1 510214780 UPXNOJLBKABZQK-UHFFFAOYSA-N 486.626 5.813 30 20 JKED CC(C)c1ccc(CSc2nnc(SCC(=O)NCc3cccc(C#N)c3)s2)cc1 510622778 NWFLNFPBKNCDBW-UHFFFAOYSA-N 454.646 5.234 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1Cl 510642067 YDECOIDTSCJSHS-XMMPIXPASA-N 477.967 6.004 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 511551939 FRNGASDDQQMALU-UHFFFAOYSA-N 495.510 6.068 30 20 JKED CCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 512316271 UQNDXCBFTBFPJF-NHCUHLMSSA-N 496.567 5.046 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1Cl 514466558 UBDBBFPTZWQMFK-RDPSFJRHSA-N 494.016 5.035 30 20 JKED CC(C)CN(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)c1ccc(C#N)cc1 514535554 RAWICRIEMLEHLK-UHFFFAOYSA-N 495.583 5.625 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1coc(-c2ccc(Br)cc2)n1 516398588 RGXIRHSIHQRQFK-UHFFFAOYSA-N 488.455 5.202 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)s2)cc1 516467099 YDGGHIITSFXDHW-UHFFFAOYSA-N 498.033 5.482 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1Cl 517118022 LJZLIYHAEAPCSW-QFIPXVFZSA-N 498.974 5.852 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 517447289 GCYQZXRPPFFYQJ-SFHVURJKSA-N 461.543 5.455 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2cccs2)cc1 517466489 QDWRNQUJZRACQU-MHECFPHRSA-N 477.655 6.112 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 517473134 JQQHIMGOTPIJBF-WMZOPIPTSA-N 465.554 5.539 30 20 JKED CC1CCC(OC2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)CC1 518166783 WYPZVGNZYXUKBC-UHFFFAOYSA-N 461.606 5.923 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1 520600888 SOJXBYYQRIIMEQ-QHCPKHFHSA-N 457.921 5.649 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 520848148 IZNMSEWELMBQPU-UHFFFAOYSA-N 497.542 5.975 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 521208889 HDEJISZYABKPIW-MRXNPFEDSA-N 466.463 6.054 30 20 JKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1occc1COc1cccc(C#N)c1 522582449 XYTXERMTSBAYJU-UHFFFAOYSA-N 473.529 5.007 30 20 JKED COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)c1 524158580 CBUUDOJHIJAWCS-NRFANRHFSA-N 456.546 5.316 30 20 JKED C=CCSc1ccccc1NC(=O)CN1C(=O)[C@@H](c2cccs2)N(Cc2ccccc2)C1=O 524468955 XNNBHLOUTQTZAT-HSZRJFAPSA-N 477.611 5.170 30 20 JKED CC(C)(NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 550888084 NZOYXBIIEZICGH-UHFFFAOYSA-N 472.467 5.093 30 20 JKED N#CCN(C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)c1ccccc1 559652089 VTDDQOBNHWIFMS-UHFFFAOYSA-N 478.396 5.569 30 20 JKED C=CCn1c(SCc2ccc(C(=O)NC)cc2)nc2scc(-c3cccs3)c2c1=O 573870631 IQTUBGQKIXWMLT-UHFFFAOYSA-N 453.614 5.024 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(Br)c1OC 580884860 STIXKYSUAMZPQQ-UHFFFAOYSA-N 496.361 5.760 30 20 JKED COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Cl)c(C#N)c2)c1 585709551 VFNOMWGGZSAURS-UHFFFAOYSA-N 451.935 5.203 30 20 JKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593021630 MJRUFILXOOOAOE-GDNZZTSVSA-N 492.407 6.273 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)cc1 594666754 RUIIGYCVSMRAKJ-RXIOLPMVSA-N 493.676 5.833 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 603533308 KYOSQXVGNNKQEV-UHFFFAOYSA-N 481.474 5.256 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 603695257 AUIOTOOSGCGWAT-UHFFFAOYSA-N 453.458 5.060 30 20 JKED C[C@@H](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)Nc1sc2c(c1C#N)CCCC2 603727865 RYWHPOQGMVRDLP-HNNXBMFYSA-N 480.659 5.694 30 20 JKED Cn1cnnc1Sc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 603824438 AZQSWMKJUAAAHJ-HNNXBMFYSA-N 496.961 5.141 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)c2)c1 603893675 ZQFVKHSTXKUNDP-UHFFFAOYSA-N 452.489 5.203 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995783 YERHTUXRBNOWTJ-UHFFFAOYSA-N 474.879 5.819 30 20 JKED COc1ccccc1OCC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 608916402 ZZELPDSDGZPDLQ-UHFFFAOYSA-N 472.545 5.027 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 609060864 GFFMITYEXKOOTB-UHFFFAOYSA-N 498.608 5.125 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 609060911 GYMNVLDLSVGWSB-UHFFFAOYSA-N 477.446 5.298 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSCC(=O)c3ccccc3)cc2Cl)c1 609073112 YWKQQVFSWOIKQV-UHFFFAOYSA-N 450.947 5.345 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 609078319 IWMPIYBIWXNGCG-QFIPXVFZSA-N 466.541 5.998 30 20 JKED CN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609086698 VADPHIRSEIQLFH-UHFFFAOYSA-N 468.340 5.041 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)cc2F)c1 609104939 QVJUAJQEXQZWHX-UHFFFAOYSA-N 477.580 5.470 30 20 JKED N#C[C@@H](NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 609173699 WKXDKTYJXFHFBM-HHHXNRCGSA-N 473.536 5.053 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(NS(=O)(=O)c4cccs4)c3)c2)cc1 609177223 MPCLPSBZVSXLTD-UHFFFAOYSA-N 475.551 5.465 30 20 JKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 609377288 UCFYSKJIEPPZSE-MRXNPFEDSA-N 463.515 5.900 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 609399284 PMOYAHACPDZTJB-VWLOTQADSA-N 466.541 6.600 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)cs1 613404412 MLCXOSGPNIHLJW-KRWDZBQOSA-N 489.569 6.862 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 617896285 PAKCHPCGORNDFR-INIZCTEOSA-N 466.010 5.105 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccccn2)c1 619205574 ABYDXPHPTMHJQU-XMMPIXPASA-N 482.005 5.094 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC 642281886 XMLDKPUJVACPAA-HNNXBMFYSA-N 457.349 5.470 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)nnc1-c1ccncc1 645072782 CILQJVJLVNCFOW-KGLIPLIRSA-N 464.620 5.215 30 20 JKED C=CCn1c(S[C@@H](C(N)=O)c2ccccc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 648086945 ZFQZXVGWZSIHRO-HXUWFJFHSA-N 465.575 5.077 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 726391901 CSGZKYIFAXXGLF-BFUOFWGJSA-N 481.952 5.004 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C#N)c(Cl)c1 726407643 UHKJXUXOSCXLGV-OAQYLSRUSA-N 485.009 5.371 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2)cc1F 726412958 UYOWPRFFDVVPMG-JOCHJYFZSA-N 481.524 5.134 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S/C1=N\[C@@H](C)c1cccs1 726420611 IWSQKRBUCNXCMM-SHZNUGFISA-N 481.643 5.328 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCC(C)C)C2=O)c1 726421563 RADNBAVVJSXBQN-NDKFBNENSA-N 489.663 5.201 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1OC 726427620 QZZNPWQNRZIMDA-WOJGMQOQSA-N 493.943 5.293 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)cc1 726435966 JBILFORBEFTIFA-UHFFFAOYSA-N 450.951 5.672 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cc4c(s3)CCOC4)c2C#N)C1 728645142 DVYIKNFVFIIERX-HNNXBMFYSA-N 472.632 5.091 30 20 JKED N#Cc1ccc(CN2C/C(=C/c3cccnc3Cl)C(=O)/C(=C/c3cccnc3Cl)C2)cc1 728696709 AWJZTPJPZZTPRY-ZCJKAFFOSA-N 461.352 5.207 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2ccc(C)cc2)c1 729670727 WVFSVRUJIMJIEB-UHFFFAOYSA-O 479.622 5.960 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1sccc1SC(F)F 730470800 OFRIUALANDOSGS-UHFFFAOYSA-N 481.386 6.197 30 20 JKED CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C#N)C3CC3)c(Cl)cc2Cl)cc1 731203803 XQSHRCLADZZLRE-HXUWFJFHSA-N 480.417 5.169 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCOC(C)(C)C)cc1 731307263 GQQUWVVJMAYSGH-JOCHJYFZSA-N 483.634 5.291 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 744766366 OWQMPEFEXOYIMN-IZZNHLLZSA-N 474.992 5.190 30 20 JKED COc1cc(/C=C/C(=O)c2sccc2Br)cc(I)c1OC 745022265 ZSAIYCYCJJEALL-ONEGZZNKSA-N 479.133 5.029 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccco2)c1=S 746050370 DAHDDPATLOBMMM-UHFFFAOYSA-N 494.020 5.354 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O 746696203 KPLRSRFLXPJGDR-XMMPIXPASA-N 484.581 5.337 30 20 JKED COc1ccccc1-c1nc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)cs1 746914753 IWBKGZXLVAWMBV-UHFFFAOYSA-N 454.551 5.875 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)cc1 747600346 AOJIIDFWSVEHGS-QFIPXVFZSA-N 496.633 5.785 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)c3cnn(C)c3)c2C#N)C(C)(C)C1 791686181 ZMYQIVJOZHIPFC-WAYWQWQTSA-N 492.626 5.297 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)nc(O)c2C#N)cc1 824953480 KJMPRLVXJNMNRB-GFCCVEGCSA-N 489.384 5.006 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2cccc(F)c2)c1 837349009 UVFWDBCKAYFCMQ-HSZRJFAPSA-N 495.551 5.176 30 20 JKED N#CC1(Cc2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)CCOCC1 904669519 AMBACABHMOPXTH-UHFFFAOYSA-N 464.831 5.459 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 915085953 DCZUUEYAGYRGPF-SANMLTNESA-N 456.549 5.921 30 20 JKED N#C[C@@H](C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 915103890 HMOCJMMPFHJMBL-LBPRGKRZSA-N 452.841 5.159 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2cc(C(F)(F)F)ccc2s1 915104376 PHQUSWSPYTZTHB-AWEZNQCLSA-N 477.414 6.057 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC 915600333 OLMXPFLLPNKYHM-FZWACIFYSA-N 456.542 5.403 30 20 JKED O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NN=Cc1cc2ccccc2nc1Cl 916255652 CXEVNEPFADJYCD-UHFFFAOYSA-N 481.921 5.043 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 916888012 SHQQYVAUMJDUDJ-LJQANCHMSA-N 480.540 5.552 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 916910337 WWEWNZWLIDYOOI-IBGZPJMESA-N 481.415 6.264 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(Br)ccc1F)C(=O)Nc1ccc(Cl)cc1Cl 916927014 CJNGEXAPJUZIRL-WVCAGCIPSA-N 456.098 5.256 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 916928260 IOXDPNPIPOYSNJ-KHZFFFCDSA-N 495.206 6.392 30 20 JKED N#C[C@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946032 ISVBHCBKPRSSCT-GOSISDBHSA-N 494.787 5.572 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)[C@@H]1c1ccc(OC)cc1 917046482 KIFAEHVPFLFSOM-SKPFHBQLSA-N 496.032 5.915 30 20 JKED COc1ccc(Br)cc1-c1nc(COC(=O)CSCc2ccc(C#N)cc2)cs1 917262335 SRNQLAVBHZPWRD-UHFFFAOYSA-N 489.416 5.429 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)c2)cc1 917344633 SBEPUNPVWNFPEZ-UHFFFAOYSA-N 469.472 5.568 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)n3)C2=O)c1 917675733 ZSMIJHDDLFEKAJ-HSZRJFAPSA-N 458.587 5.167 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 917699863 ZRCYSHHKPREWIH-LJQANCHMSA-N 493.457 5.641 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(C)s2)C1=O 917703512 NPQXTKIQQDJWNS-JOCHJYFZSA-N 490.610 5.097 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2C[C@H]2CCCO2)c1 917710086 QTMPSCYPEQGKAP-RPWUZVMVSA-N 494.661 5.015 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2cscn2)ccc1Cl 920280471 JMVYXYCQEVYTCG-UHFFFAOYSA-N 496.441 5.103 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c1 920353126 BFCQMTUDAVOBOL-OAQYLSRUSA-N 484.528 5.039 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc3ncccc23)cs1 920374173 SIXJNYPBRROWMG-UHFFFAOYSA-N 455.465 5.841 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 920868577 KWMINDIBQMZUBA-AUUYWEPGSA-N 494.444 5.545 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3\Cc4c(F)cccc4C3=O)cc2OC)cc1 921265899 GCJXCXUYZIHQSM-QGOAFFKASA-N 461.489 5.073 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2Oc2ccccc2)C1 1780300407 MFZHEGDPBBACEP-FHFHAPQWSA-N 488.628 5.375 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1 1786042714 WMNWRBCWGHXANE-UHFFFAOYSA-N 468.944 5.016 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCCN(C)C(=O)OC(C)(C)C)CCC2)cc1 1786106568 YNILKSOFWSLPCC-UHFFFAOYSA-N 483.653 5.536 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1786163996 PTTUNEPYPUJWQW-UHFFFAOYSA-N 496.007 5.471 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1786372722 UFOFTCSCABKZCV-INIZCTEOSA-N 451.954 5.160 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787133104 JOMRHXMPCCADEK-UHFFFAOYSA-N 475.564 5.551 30 20 JKED Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)n1 1787324879 PYBJELUSNDWYNL-UHFFFAOYSA-N 489.373 5.086 30 20 JKED Cc1cnc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c1 1787569364 USVDYUODIVOYKG-MDZDMXLPSA-N 479.989 5.292 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4Cl)cc3)CCC2)cc1 1788479201 OQIGFKZLXBTZDI-UHFFFAOYSA-N 483.959 5.030 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cc5ccccc5o4)cc3)CCC2)c1 1789116128 IRQMELOXIUCGQN-VAWYXSNFSA-N 491.547 5.774 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)CCC1 1789869201 KMXULSVYNXROOF-UHFFFAOYSA-N 495.929 5.484 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)NC1(c2ccc(NC(=O)[C@@H](C)ON=C(C)C)cc2)CCC1 1790564977 WNXJWCOARFJRLD-QGZVFWFLSA-N 496.011 5.099 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnccn5)c4)CCC3)cc2)c1 1790796174 AXFUUXNRRJFFTP-UHFFFAOYSA-N 487.563 5.385 30 20 JKED Cc1ccn2c(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5Cl)CCC4)cc3)cnc2c1 1790974006 PZEKCCVGHXMTFO-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C[C@@H](Cc1ccncc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1791038789 BYOKQHFXOQZPJE-SFHVURJKSA-N 472.976 5.233 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5cccc(F)c45)CCC3)cc2)c1 1792127291 VCAHFFZASIQLOU-QGZVFWFLSA-N 481.531 5.391 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3ccc(Br)cc3c1C)C2 1798338062 QDPGFRYQBGJFKQ-IYWMVGAKSA-N 484.438 5.259 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1798401211 DHNPLUDBDUAQFD-BNFFBFCJSA-N 495.664 5.544 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[C@@H]2c2cccnc2)C1 1802415299 ABBRHVIWZAXVHE-YCRPNKLZSA-N 495.904 5.179 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cccc2Cl)[C@@H]1c1cccnc1 1802495580 LETFFNVVGCSQNI-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2F)C3)c1 1803682486 DHHSCKYUEJRUAR-GAZPGATBSA-N 473.470 5.037 30 20 JKED O=C(/C=C/c1cccnc1)N1CCCC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)C1 1807160830 ALPOZPPBTVTUPJ-DTQAZKPQSA-N 489.619 5.040 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@@H]1c1cccnc1 1808824420 GKPOHKVNMCSRGN-WAFQHWAMSA-N 498.627 5.059 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)C2)CC1)C(F)(F)F 1809160851 BDWUORQQJRWGJI-GHTZIAJQSA-N 450.545 5.166 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1809340336 FWFLKVUVOAMZGN-TZBSWOFLSA-N 474.630 5.088 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)CC1 1810120748 VNHIPXATWXBQCQ-UHFFFAOYSA-N 491.752 5.383 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1810758359 CPFCAKPBNBNBAZ-IRLDBZIGSA-N 489.538 5.292 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1812587865 SSRHOXCPMNFGPG-HCYUJWNOSA-N 477.992 5.527 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1813048765 IFBOHASHNDAYGR-DWACAAAGSA-N 496.636 5.415 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)[nH]n1 1814829990 LRVPDONWTSZPGC-OAQYLSRUSA-N 456.974 5.146 30 20 JKED CC[C@H](C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccccc2C#N)[nH]n1)c1ccccc1 1816848704 IBXZTHPIDUSWKM-IDOVBLGQSA-N 499.615 5.182 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1)C(F)(F)F 1817740070 LLABMISKJUOSER-NRFANRHFSA-N 483.494 5.205 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)[nH]n1 1819552906 JRXQRLPJHZFYIX-NYYVNYEXSA-N 452.521 5.127 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3c(Cl)c2OC)n[nH]1 1820237614 PQFKRVIZHAJAPU-JOCHJYFZSA-N 493.007 5.724 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)[nH]n2)ccc1F 1820914762 FIFCXGFKDANYMZ-IIOACPQZSA-N 491.611 5.262 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2cc(OC)ccc2OC)n[nH]1 1820930183 UYUDMXWRUUVKNH-XMMPIXPASA-N 494.636 5.210 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CC4(CCC4)C3)[nH]n2)cc(C(F)(F)F)c1 1821311152 RYHOFDUTTMVBSP-FQEVSTJZSA-N 485.510 5.186 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4c3oc3ccccc34)n[nH]2)c1 1821612132 YJGQJNIQZRBGGR-JOCHJYFZSA-N 478.512 5.129 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1821746108 GACWWOVPHGKZOR-YNZBZNKJSA-N 497.599 5.018 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1821921389 UKBAZJQJAYPRSW-AUSIDOKSSA-N 457.578 5.298 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1)C(F)(F)F 1821989502 YICKFYGAZWZKDF-IJDCCNJMSA-N 486.416 5.253 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1)C(F)(F)F 1821992779 JBENWYMRDQKORE-HNNXBMFYSA-N 461.271 5.141 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccnc(C(F)(F)F)c3)[nH]n2)c1 1823210817 GKGRRYLYFMGGCX-FOIQADDNSA-N 496.493 5.070 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1823700131 MGSIGUZZTMAYBR-QHCPKHFHSA-N 467.009 5.800 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2OC)CC1 1823753431 OTSYSLMLUYDXIC-OAQYLSRUSA-N 462.581 5.199 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824143581 NULYNBGVPGHKNH-DEOSSOPVSA-N 454.014 5.213 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)CC1 1824441614 NJAPRVCEWGEIDR-QHCPKHFHSA-N 476.633 5.445 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1824499781 NBDGIBLTHLEWOC-MHZLTWQESA-N 489.660 5.273 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1 1824760596 RKEPSWLJIYTRRJ-DQEYMECFSA-N 497.680 5.006 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1 1824930579 NHJBGQSIYKJZKL-JIPXPUAJSA-N 487.619 5.418 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)CC1 1825099906 DNQYOBLLQXIOOZ-VWNXMTODSA-N 491.598 5.421 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(C)c(C)c2)CC1)c1ccccc1 1825392974 ZVWHXIBKACEZDT-VSGBNLITSA-N 471.645 5.129 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827332176 KVCTXODTDIRHQB-MHZLTWQESA-N 489.660 5.273 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1 1827332393 PZDPGNUNBKITGX-AOYPEHQESA-N 479.690 5.245 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1827332955 MKKBVGUZWFMEKT-QRGYCXFASA-N 498.627 5.002 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1827356531 XCGVZDKXKPVAHJ-DEOSSOPVSA-N 497.561 5.414 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)c2[nH]1 1828209011 HVXORAZHXJAPJV-YSESTWPTSA-N 489.641 5.210 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1828823789 BDBDKEYMWYMYEE-SIKLNZKXSA-N 469.029 5.170 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cnc3Cl)CC2)c1 1829200821 SYBDFJNHLUBEDY-UZUQRXQVSA-N 482.987 5.048 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829784024 KEZYRRRBHAWYHA-DEOSSOPVSA-N 481.637 5.040 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1829902954 ZFILOYHWQWMORO-HSZRJFAPSA-N 484.427 5.607 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c1Cl 1829975050 FIKPPGLTHDFIFA-QFIPXVFZSA-N 470.400 5.412 30 20 JKED O=C(c1ccncc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602143 RYGLAVQYGRLHLU-LJAQVGFWSA-N 477.608 5.029 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c(C(F)(F)F)o1 1830718229 XBMAYZOWNOYGHC-OAQYLSRUSA-N 491.485 5.165 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1831471759 NVEMHBVDOTUFRP-GRYYTAOJSA-N 458.668 5.323 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831476417 WPYGIPLBNAXFDN-BPEMXEAKSA-N 467.053 5.138 30 20 JKED COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1C 1832538743 HRIYQWVIPRPDAY-DEOSSOPVSA-N 480.008 5.076 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCC[C@@H]3C)CC2)cc1C#N 1832703076 AVPAQOJAXGBCBM-KSNOWIBYSA-N 465.638 5.015 30 20 JKED CO[C@@](C)(C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1cccc2ccccc12 1832786712 ZNXRLWDBVRYXQI-GGXMVOPNSA-N 487.644 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(Br)ccc1Br)C2 1844356952 JFMKHZALDCVPIN-UHFFFAOYSA-N 498.259 5.021 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(F)c(F)c2CSc2ccccc2)C1 1847223581 NROCJTSJHWWGPK-GOTSBHOMSA-N 468.569 5.039 30 20 JKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)c1 10172676 ZGWGUXWRXROKJD-UHFFFAOYSA-O 451.681 6.618 30 20 JKED CCOc1ccc(-n2c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccc(Cl)cc2)cc1 10263668 TVRVWBAYBRSLHS-XMMPIXPASA-N 484.025 5.133 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Cl)c2)cc1 10831230 AKXZASVVTBJPIB-UHFFFAOYSA-O 450.027 6.120 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11114135 MNMRMDDRYTUOSS-UHFFFAOYSA-O 497.656 6.781 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(CO)c1)c1ccc2c(c1)CCC2 11127290 UZTRCYJSRCQSHD-UHFFFAOYSA-O 453.587 5.159 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccccc32)ccc1Cl 14909114 NTHSCUCTZICMRW-UHFFFAOYSA-N 470.953 5.063 30 20 JKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)S1 15231735 FFBIZFSCZAZLQS-QGZVFWFLSA-N 463.575 5.374 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 15410821 WPCSWDISINBXTH-UHFFFAOYSA-N 485.949 5.190 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2ccccc2F)cc1 20042626 USWRFMHRTOLNEV-UHFFFAOYSA-N 457.534 5.179 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 21849051 UKCILZOWRZFSEY-QGZVFWFLSA-N 453.999 5.354 30 20 JKED CC(=O)N(c1nc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1F 22093871 QUEWQDPPDXCVKL-UHFFFAOYSA-N 478.389 6.583 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 22122286 XPVNGGVUCVZGCQ-XDHUDOTRSA-N 468.026 5.182 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)CC1 71936206 VIJBSYBUIDFYOY-DEOSSOPVSA-N 480.568 5.513 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1Cl 108510645 FTYJEPQROJWDTN-GMAHTHKFSA-N 461.974 5.149 30 20 JKED COc1cc(OC)cc(-c2nnc(S[C@@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)c1 207504450 OOOMIRYBZRNUHR-HSMAQGNYSA-N 465.575 5.115 30 20 JKED CC(C)c1ccc(CSc2nnc(SCCC(=O)Nc3ccccc3C#N)s2)cc1 252370227 XFDFNRGNCJTXAL-UHFFFAOYSA-N 454.646 5.946 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 302935293 ITDRBSFOEBQODO-UHFFFAOYSA-N 455.992 5.912 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 303314631 RVJZKBYLIURGQX-MRXNPFEDSA-N 488.642 5.744 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1Cl 409765296 CGXXQGVXGOWDFW-NZJKTDFXSA-N 459.977 6.285 30 20 JKED N#Cc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)ccc1OCC(F)(F)F 481946459 OYRUQMHDUDWACY-UHFFFAOYSA-N 484.261 6.032 30 20 JKED CCN(C(=O)CSc1ccc(C#N)cc1)c1cccc(NC(=O)CSc2ccc(C#N)cc2)c1 482844954 XSPHHTWHQFCEOG-UHFFFAOYSA-N 486.622 5.306 30 20 JKED COc1ccc(N(C[C@@H](C#N)CCC#N)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 494009584 APTDGVZREKFZQT-CQSZACIVSA-N 471.888 5.006 30 20 JKED CCOc1ccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc2)cc1 498282508 TUUFGICBBBLZPY-UHFFFAOYSA-N 464.543 5.207 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(COCc2ccco2)c1 502679654 MJXMEMOPQISFES-UHFFFAOYSA-N 473.342 6.118 30 20 JKED Cc1nc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)sc1SCC#N 504746749 WAMWYAOFWZRMHM-UHFFFAOYSA-N 450.467 5.526 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCOc2ccccc2Cl)cc1 508261159 XLMODWPTAWZQTL-UHFFFAOYSA-N 451.910 5.555 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 510259840 RSWZBZJRTQSRIZ-UHFFFAOYSA-N 489.597 5.007 30 20 JKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cc2c(cc1Br)OCCO2 511264277 CPEJPPOKWTXQFA-ZDUSSCGKSA-N 499.390 5.022 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCCCC(=O)Nc3ccc(Cl)cc3)c2)cc1 511578717 ILTJLMDJXBHDLS-UHFFFAOYSA-N 476.964 5.525 30 20 JKED CCc1ccc(-c2csc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)s1 512158333 KVKVHCDVVLZPBK-UHFFFAOYSA-N 479.587 5.409 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)cc1OC 515158604 QFHBFYUKFFELEL-UHFFFAOYSA-N 486.553 5.376 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C 517132113 WYCYZEQKDUGPDB-DEOSSOPVSA-N 482.544 5.410 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nn(-c2ccccc2)c2c1CCC2 517451457 GZUNLAFVKAHMTQ-SFHVURJKSA-N 462.644 5.627 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 518254965 DBEGRXPGVGDLOU-LJQANCHMSA-N 495.543 5.116 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1Br 519869224 BKPZPTDHLOCAQF-UHFFFAOYSA-N 469.133 5.340 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1cccc(Cl)c1 520813601 MXKWFVSAGOTYLR-OAHLLOKOSA-N 472.039 5.743 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 521309475 OKWRBKDTPFCQKV-VWLOTQADSA-N 459.977 5.467 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 521712210 IZDMCOLOCYJSRF-UHFFFAOYSA-N 454.417 5.531 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 521736155 CWHFJNDDRAXHSA-UHFFFAOYSA-N 497.448 5.662 30 20 JKED N#C[C@H](C(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 521780906 QYNLBESBZILNCL-LJQANCHMSA-N 494.544 5.552 30 20 JKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524392419 HYUQCIGFRJEJTA-UHFFFAOYSA-N 466.994 5.987 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)cc2F)c1 524566128 NJPWCEGLDBGCHB-AREMUKBSSA-N 468.532 6.517 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603627249 YAIXCSXKJXZQAA-UHFFFAOYSA-N 487.519 5.859 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cn3c(-c4cscn4)nc4ccccc43)c2)c1 603638974 VCKDCVVMVMFYTG-UHFFFAOYSA-N 465.538 5.249 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 603846237 GVDPOZMPSHNQGS-GFCCVEGCSA-N 465.409 5.121 30 20 JKED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1cc(Cl)ccc1C#N 604009988 JHPVTAUXRHNQPZ-GJZGRUSLSA-N 459.377 5.319 30 20 JKED CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604160472 LXLHULCNKUFJHY-GOSISDBHSA-N 458.370 5.307 30 20 JKED Cc1csc(Sc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c(C)c2)n1 608848325 NMGFCJNGILZYDV-UHFFFAOYSA-N 461.568 6.207 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)c2)cc1 608938741 JXNUIMDYZLZWHU-UHFFFAOYSA-N 482.609 5.796 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c1 609067002 QTYBRUSJPCZATH-UHFFFAOYSA-N 476.233 5.020 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 609103933 JILFRTXTYQJHTP-UHFFFAOYSA-N 474.517 5.512 30 20 JKED COc1cc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c(OC)c1OC 609163981 DUHGBNMIJQRQKZ-LJQANCHMSA-N 475.932 5.755 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609175984 TTZUJQPHIGTZRZ-DEOSSOPVSA-N 459.571 5.149 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(C(F)(F)F)c1 609436201 IXXGVPKXOOXOGF-OAHLLOKOSA-N 453.420 5.185 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 609437079 ONVTYEHULBFYBX-LIRRHRJNSA-N 477.417 6.023 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCSCc1ccccc1C#N 611982909 ZZHFCIBLOPTPPO-UHFFFAOYSA-N 458.008 5.219 30 20 JKED O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619386725 HHYAEOXSACQWFE-HWWDLCQESA-N 480.399 6.263 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nc(O)c3c4c(sc3n2)CCCC4)ccc1Cl 619668881 SNIHVPFDGMBGKV-UHFFFAOYSA-N 473.023 5.277 30 20 JKED COc1cc(CCC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 624074313 UUFLPWIBRLRCML-WDNDVIMCSA-N 495.382 5.595 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)Nc1ccccc1F)C(C)C 639394980 SJCBIBBYXZVAMC-NRFANRHFSA-N 474.989 5.591 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc(F)c2)c1 641929281 YAOUFQGZMSWLKM-UHFFFAOYSA-N 472.969 5.133 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2C)c1 726412406 NXEOGKYEEWXMBB-VWLOTQADSA-N 483.593 5.145 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)c(Cl)c2)cc1 726571389 GGRIVPNSBISWGH-UHFFFAOYSA-O 489.835 6.692 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccc(OC)nc1 726891170 ZBIPYGATWULUPJ-MRXNPFEDSA-N 499.807 5.197 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 726941843 LMVWOHKTZJAVOW-UHFFFAOYSA-N 487.503 5.375 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)s2)cc1 728117202 BDOIEHUZBFVQHT-GOSISDBHSA-N 489.548 6.090 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1F 728426406 UAHIIQSDNUJASC-HXOBKFHXSA-N 487.560 5.122 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CCCCC#N 728780426 SWUWGYLPFVIDFK-FQEVSTJZSA-N 488.972 5.142 30 20 JKED CN(CC1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1)C(=O)OC(C)(C)C 729035731 BMJNYJKWPJWPDH-UHFFFAOYSA-N 492.620 5.442 30 20 JKED CN(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3n2CC#N)c2c[nH]c3ccccc23)cc1 729300668 XPOQTHFHNREWEN-DEOSSOPVSA-N 461.569 5.274 30 20 JKED CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 729819204 GGOQCAHSJBCMMQ-MDZDMXLPSA-N 452.479 5.097 30 20 JKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 729889533 PEPXYXLLYGZTMH-PRQRFHANSA-N 454.526 6.017 30 20 JKED CC(C)n1c2ccccc2n2c(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)nnc12 731029410 AZEJIQVTPMFOIO-MRXNPFEDSA-N 464.620 5.390 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 731064658 XFXBUGLLMXSNSB-LBPRGKRZSA-N 490.425 5.914 30 20 JKED Cc1ccc(C)n1-c1sccc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731065125 WLLUGNUOKCJLIW-OAHLLOKOSA-N 453.589 5.203 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731307921 WEBVKNBDOJCRNV-BTYIYWSLSA-N 483.977 5.230 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)cc1F 731308710 MKZUKGJBVJLEOD-AOMKIAJQSA-N 481.549 5.024 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3sccc3-c3ccc(F)cc3)s2)cc1 743870623 QWBGJSGPINJVOX-UHFFFAOYSA-N 452.561 5.822 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1oc(CC(C)C)nc1C#N 745613783 PGSBGSVOCIIPOU-UHFFFAOYSA-N 450.852 5.357 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 749360801 GKEXHOFLTWDLIS-UHFFFAOYSA-N 469.545 5.343 30 20 JKED COc1ccc(CCC(=O)N2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 750691151 QNOWAPKDFUKYPH-MUUNZHRXSA-N 496.611 5.050 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2sc(-c3cccs3)nc2C)ccc1Cl 752886095 VDOVWISMWWBZAY-UHFFFAOYSA-N 459.980 5.246 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN(CCC#N)Cc2cccnc2)c1=S 798150881 NBARHSUIPUUDHG-BLKABHOGSA-N 462.623 5.440 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837659794 IXKCDZRKBDOFJX-HXOBKFHXSA-N 494.567 5.698 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](C)c2ccccn2)C1=O 837882064 ZUNGDTUOKMKMHE-KSFYIVLOSA-N 495.004 5.465 30 20 JKED Cc1ccc(C(=O)N[C@H](C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C(C)C)cc1 915103819 GHFCWKLCVDSOKU-LPHOPBHVSA-N 459.493 5.254 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)c2)c1 915867807 DUDAEXVQYGNFGU-UHFFFAOYSA-N 459.893 5.038 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(F)cc1 916209535 MOWGGSCKHZQAEW-GOSISDBHSA-N 478.387 5.205 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 916211157 AXKZPIAYKDRULO-FQEVSTJZSA-N 455.486 5.027 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNc3ccnc4cc(Cl)ccc34)cs2)cc1 916269284 CZMUOQVPFWHLOE-UHFFFAOYSA-N 451.939 5.484 30 20 JKED Cn1c([C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)nc2ccccc21 916844097 VRRAJZWAMMWMFC-OAQYLSRUSA-N 454.480 5.809 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1 916907776 NKSYIPWMJDJEGQ-JOCHJYFZSA-N 463.628 5.830 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 916909659 QFYXXTFXVILFKM-QFIPXVFZSA-N 480.499 5.254 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 916913053 CTGJRXSAQNCGOY-HSZRJFAPSA-N 499.533 5.248 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1Cl 916936859 BFFQNBCVLHBOEZ-GOSISDBHSA-N 469.324 5.395 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2c1C 916977177 MACKJHKUHXVGEK-HNNXBMFYSA-N 471.032 6.054 30 20 JKED COc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3-c3ccc(C)cc3)s2)cc1 917026651 PZVBYNWVGWHNOD-UHFFFAOYSA-N 456.984 5.287 30 20 JKED Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043322 KMGRYHOPJKQZGZ-IEBWSBKVSA-N 473.520 5.645 30 20 JKED N#C[C@H](C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)c1nc2cc(Cl)ccc2s1 917047467 XZTNZIGXKNDNFL-UEXNTNOUSA-N 488.985 5.539 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c(C)c1 917675320 WRARAOITEWKUQM-YOSAUDMPSA-N 494.636 5.030 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 918611360 CJIREJYXBARAMV-SOYKGTTHSA-N 479.627 5.044 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 919512698 KBGUCQMNTQQBJP-QGZVFWFLSA-N 474.513 5.143 30 20 JKED N#Cc1cccc(COc2cccc(NC(=S)NC3CCN(Cc4ccccc4)CC3)c2)c1 920310819 ZAWFZDBRQPVSPX-UHFFFAOYSA-N 456.615 5.088 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 920360645 ZNCGKZIRHJORSY-QHCPKHFHSA-N 492.576 5.080 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1cccc(OCc2ccccc2C#N)c1 920415978 GDHGWWBPTRAYGF-LJQANCHMSA-N 456.542 5.446 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OC(F)F 920825564 ITNRCNFTHWAPJW-UHFFFAOYSA-N 490.875 5.479 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)C(=O)CC5)CCC3)cc2)cc1 1785797566 SVIOZRAMDQIWPV-UHFFFAOYSA-N 477.564 5.068 30 20 JKED COc1c(Cl)cccc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785884220 CAUKGARXGONVES-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(F)cc3F)CCC2)cc1 1786364818 RJIJVIMJYXTFMZ-NTUHNPAUSA-N 454.517 5.095 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)s1 1787337267 YODRXBFBVFOJJY-UHFFFAOYSA-N 464.978 5.347 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)CCC2)cc1 1788029168 XELVGLBVPPHBDJ-MDWZMJQESA-N 498.549 5.135 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)cc2)CCC1 1788682053 QREZMAZGCYGFHS-UHFFFAOYSA-N 489.572 5.081 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCC2)cc1 1789448633 FHTQQKZHBLQLAD-UGKGYDQZSA-N 469.626 5.050 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C3\C(=O)Nc4ccccc43)cc2)CCC1 1789462733 VJZYDRQITYWXDF-JWGURIENSA-N 457.574 5.149 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)o1 1789508056 HPJDACCVHRTOJB-UHFFFAOYSA-N 451.643 5.090 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ccc4OC)CCC3)cc2)c1 1790074410 VELPGZQNVZAMSC-UHFFFAOYSA-N 489.959 5.290 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)cc3)cc2)CCC1 1790151560 SERNUQWVMLLDTB-FDAWAROLSA-N 496.542 5.348 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5ncccc5c4)CCC3)cc2)ccc1F 1790520475 XRWXJNBFZYXKHO-UHFFFAOYSA-N 478.527 5.236 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)ccc1F 1790521527 QCVACKNDKZSKER-UHFFFAOYSA-N 461.459 5.107 30 20 JKED CCOc1c(F)cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)cc1Cl 1790725395 RSGIUKXROLMYBJ-UHFFFAOYSA-N 457.933 5.175 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5c(O)cccc45)cc3)CCC2)cc1 1790981402 LFWWPZINAOQQSX-UHFFFAOYSA-N 476.536 5.068 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)cc2)CCC1 1791146089 BHEDVHXYBDHRHF-RBUKOAKNSA-N 486.534 5.067 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4=COCCC4)cc3)CCC2)cc(C(F)(F)F)c1 1791639148 CVHUPHGHRUNHRK-UHFFFAOYSA-N 469.463 5.019 30 20 JKED Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)n1 1792168358 QNRCCAZHIMYUJK-UHFFFAOYSA-N 468.557 5.110 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1792496267 JJCKXHVIWYASGC-PZXVYJQKSA-N 496.598 5.080 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OC)ccc1NC(=O)OC(C)(C)C)C2 1793052699 LVFBSNOGPRXMBL-WKCHPHFGSA-N 497.636 5.062 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c(Cl)cc1C)C2 1798334176 OLAWZLDPPPZPGE-MHORFTMASA-N 479.846 5.431 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc2ncccc2c1 1800504293 VBSZCCVNPOYWCH-PKQPGRETSA-N 485.587 5.200 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1802493816 YCTJSEIZOOTHTP-REWPJTCUSA-N 454.014 5.355 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1F)c1ccoc1C(F)(F)F 1803849220 OXXGDCHUFRIMMN-CLLJXQQHSA-N 478.364 5.022 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C1 1808373951 VKKISRIFFSKDHS-UHFFFAOYSA-N 475.633 5.235 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1810499700 HGOHAKPLIMWREO-WIYYLYMNSA-N 477.527 5.314 30 20 JKED N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/C3CCCC3)[C@@H]2c2cccnc2)cc(C(F)(F)F)c1 1811872351 CSKHKEMSCUDQQC-OSUDOFKYSA-N 496.533 5.038 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1812984528 DDDWUDWGNSPABZ-KCWPFWIISA-N 492.063 5.446 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@H]1c1cccnc1 1813225964 HKOCXKSZLSZTMW-UHSQPCAPSA-N 497.639 5.292 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1813864105 UVRILLKYKMECCQ-UMLWDEEUSA-N 498.652 5.209 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1813870091 XMBIYHPHGTWKGE-DUFKRMHYSA-N 488.676 6.025 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813955792 WYWWHHNMWSFKNU-XRKRLSELSA-N 465.597 5.262 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c(F)cccc2Cl)n[nH]1 1814670520 LSCBVXFCRICYED-KKSFZXQISA-N 458.965 5.205 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1)c1ccc(O)cc1 1815558110 LZPKEHKHNANZMW-QURRFSBHSA-N 488.563 5.015 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)n[nH]1 1816108956 SFZQFXVGZPRPFA-RDGATRHJSA-N 487.604 5.488 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(Cl)cc3)n[nH]2)c1Cl 1816933622 VGHUYQPBNOHNTD-FQEVSTJZSA-N 482.371 5.137 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc(-c3ccccc3)ns2)n[nH]1 1817676639 ZWJJTTUBYAOXCI-ICSRJNTNSA-N 476.606 5.003 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCC(F)(F)C2)[nH]n1)c1ccccc1 1819515910 HFSLVRLDSXXQCS-ONTIZHBOSA-N 468.548 5.034 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)[nH]n1 1819556134 VBDQIUNCALHEAF-HXUWFJFHSA-N 481.547 5.534 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCCCC(C)(C)C)[nH]n2)c1 1820209129 YNENKJUNPMLLNI-QHCPKHFHSA-N 479.625 5.592 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434634 GQQXXZYMDKMYFY-CVDCTZTESA-N 474.561 5.099 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823658 MIZGWVWJIYMXGH-CVDCTZTESA-N 492.023 5.460 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(OC)cc3)CCC2)n[nH]1 1820848566 BSXQOSSHSAPQNJ-UPVQGACJSA-N 476.621 5.301 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1 1820910177 CXAJXSJZFLHYCM-TZIWHRDSSA-N 487.645 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3cccn3)cc2Cl)n[nH]1 1821020132 ICBOTESCKDGREN-QHCPKHFHSA-N 493.011 5.323 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(C(F)(F)F)c(F)c1 1821084882 CHIZMXSNCTUPDZ-INIZCTEOSA-N 494.411 5.606 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c1 1821326144 LXUMZTQRLXXOMO-NRFANRHFSA-N 465.916 5.002 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821363947 JGHBOUQWPFEZAG-JOCHJYFZSA-N 477.515 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821755982 GYQCEUBZBIXGBR-GGAORHGYSA-N 486.060 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)n[nH]1 1821788574 ZNFCGELZMBKUGT-RJWMVNQGSA-N 491.680 5.524 30 20 JKED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2c4ccccc4n4ccsc24)CC3)c1 1822031846 DRWFMHKYUKKUMH-QGZVFWFLSA-N 497.605 5.022 30 20 JKED CCCCCc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)ON=C(C)C)[nH]n2)cc1 1822284808 DPWHTBCRLZZLFB-HYBUGGRVSA-N 481.641 5.178 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1822384949 SJNXRBJVRJFKHL-KUHUBIRLSA-N 479.631 5.244 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823214487 FTYLURASHQOWIC-YADARESESA-N 487.629 5.443 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)oc2ccccc12 1823215581 XARSFZLKGLRYTE-GAJHUEQPSA-N 481.556 5.711 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c1 1823218691 UMYGDALGXCTKAA-YXYLUEIESA-N 459.594 5.479 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1823258985 CRXZTNYPYWRWAP-OAQYLSRUSA-N 498.370 5.216 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)cc(Br)c3)n[nH]2)C1 1823312566 PTRCVUWYZWRDFS-GOSISDBHSA-N 477.790 5.098 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)cc1 1823379823 OPUHXLCBYSSJNT-DEOSSOPVSA-N 467.573 5.385 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(C)ccc23)n[nH]1)C(F)(F)F 1823566075 PVXBJUKEACPABY-FHVRUZERSA-N 471.483 5.023 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1823750185 AXMBUVPIMBUVOW-NRFANRHFSA-N 477.093 5.517 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823972268 VKAUCAVSGHQEOD-RXFWQSSRSA-N 478.036 5.178 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1824145752 LLMQLTYKVKOCFF-VWLOTQADSA-N 460.622 5.078 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1824146471 YOUANWRDHZCUHQ-DNQXCXABSA-N 489.701 5.068 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1cccs1 1827680204 MDPARMKOSJPVJX-NEQMZLFVSA-N 485.049 5.003 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2CCC)CC1)c1ccccc1 1827844570 JNBULTKPFHNKNC-FTJBHMTQSA-N 489.660 5.366 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c1 1828190142 DILRDYMIQIMBMZ-CJFMBICVSA-N 469.585 5.607 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccncc2)CC1 1828903685 CSYVSTZWRQXITE-AREMUKBSSA-N 481.757 5.075 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F 1829997314 ASTZUOFMUFQKDV-SFHVURJKSA-N 462.434 5.057 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1831374316 NPGISMGVJPGISS-WMZHIEFXSA-N 461.046 5.573 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F 1831453344 QNFOSMCYHRTYTC-GOSISDBHSA-N 462.434 5.057 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1 1831747842 WYYKBZMUAVGQEH-ZCYQVOJMSA-N 476.752 5.192 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 1831853321 QQLSHUAWCQSCQL-OAQYLSRUSA-N 479.846 5.139 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832712886 GEPBYDPCQXAHAY-QFIPXVFZSA-N 485.427 5.349 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/Sc3ccc(C)cc3)CC2)CC1 1836696580 HOZUARKUPNTHMP-LTGZKZEYSA-N 482.690 5.368 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1841057635 JJBSQFBEWMLTPA-UHFFFAOYSA-N 455.602 5.416 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1cccc3c1oc1ccccc13)C2 1844253526 QEQMWCWMJLAWMB-UHFFFAOYSA-N 472.661 5.454 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)CCc3ccc(C#N)cc3)ccc21 1847213295 PUWMXFIIKRDQQB-VMPREFPWSA-N 490.607 5.134 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2cc(Cl)ccc2c1=O 9085383 JYKRALOJFJZOJE-LLVKDONJSA-N 468.793 5.662 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2CC)cc1 10172461 MNAOKBQIBWWAJH-UHFFFAOYSA-O 481.641 6.942 30 20 JKED Cc1ccccc1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 11165919 FYKJEPARATVDQI-UHFFFAOYSA-O 472.033 6.578 30 20 JKED C=CCNc1nnc(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 11392958 YXCVZQLYNYMWCK-INIZCTEOSA-N 461.956 5.170 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1OC 14497073 TWLQYSFGUNNDFU-UHFFFAOYSA-N 458.337 5.104 30 20 JKED C=CCc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc(OC)c1OC 16200714 HIRMBLHEKLILNV-UHFFFAOYSA-N 486.977 5.139 30 20 JKED C=CCN(C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 16707451 CWTIKLUSAMSNMU-UHFFFAOYSA-N 478.555 5.587 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2cc(-c3ccccc3)sc2c1=O 21494319 QWDMNNBJZYAUEK-UHFFFAOYSA-N 493.610 5.059 30 20 JKED C[C@@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)N(CCC#N)c1ccccc1 21689722 OYKHJZRGAMNXLV-TTWQBBKJSA-N 498.583 5.638 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22695375 BCWSUIZBEQJIRP-UHFFFAOYSA-O 465.642 6.541 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@@H]1COc2ccccc2O1 23517628 PKSPYCGMVYBANR-DJJJIMSYSA-N 491.400 5.403 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)s2)cc1 24049606 ZIHJBJWCJUKYBE-UHFFFAOYSA-N 484.031 5.660 30 20 JKED COc1ccc(CSc2nnc(SCC(=O)Nc3ccccc3SCC#N)s2)cc1 24670355 ROYBCFAHIKLIHJ-UHFFFAOYSA-N 474.658 5.185 30 20 JKED C=CCOc1ccc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1OC 25454925 QGAOGPLNVMNAJU-UHFFFAOYSA-N 482.876 5.293 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1C#N 27253079 RNSQYXGGKOOXMU-UHFFFAOYSA-N 452.543 5.245 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)c(C#N)c1C 105512792 PNSKXMCGGROWMG-UHFFFAOYSA-N 464.503 5.079 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1 107830440 HYNNDDVEMDIXKT-UHFFFAOYSA-N 485.466 5.211 30 20 JKED O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 195694867 HJGGJGPTGTWTSU-MEDUHNTESA-N 464.337 5.032 30 20 JKED CC(=O)Nc1cccc(C(=O)/C=C\c2cccc(/C=C\C(=O)c3cccc(NC(C)=O)c3)c2)c1 208021372 NENZPIBMJKFDCU-DZDAAMPGSA-N 452.510 5.396 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(OC)cc1 255934051 PMFHYMLYXOHBOH-SFHVURJKSA-N 450.608 5.691 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(Cc2ccncc2)C2CC2)ccc1Cl 302755192 NNSJAPOZBJDYCB-UHFFFAOYSA-N 499.995 5.060 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1cccc2cnccc12 303417159 WWIXEBQAGHXXJI-QHCPKHFHSA-N 478.943 5.685 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 409818117 BBRRVGYZTIXNTK-UHFFFAOYSA-N 471.426 5.710 30 20 JKED N#Cc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)ccc1OCC(F)(F)F 481933515 VHFWZDGYZQKIIU-UHFFFAOYSA-N 494.395 5.834 30 20 JKED Cc1ccc(CCC2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 495222995 YLXRGUPQMNSMJA-UHFFFAOYSA-N 471.561 5.165 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(C)c1 501181427 JMTQWAPAYGDXJT-IBGZPJMESA-N 459.619 5.660 30 20 JKED CNc1nnc(SCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(C)o2)CC3(C)C)s1 501592716 MTPUGPQNDGIROA-VURMDHGXSA-N 497.671 5.923 30 20 JKED CCn1c2ccccc2c2cc(NC(=O)Cn3cc(C#N)c(=O)c4cc(Br)ccc43)ccc21 502868208 RLSCDKFIMDEZSJ-UHFFFAOYSA-N 499.368 5.402 30 20 JKED N#Cc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)cc1 503104804 RQPCJFXNDURUTH-UHFFFAOYSA-N 459.737 5.082 30 20 JKED COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)NCCCCC#N)c1OC 505081910 NZIQYTPRUDXWIL-PMIVHWTLSA-N 469.585 5.799 30 20 JKED CSc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)N2CCc3sccc3C2)cc1 505173681 TVPLULBJLYNQHS-DEOSSOPVSA-N 476.671 5.283 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 505295709 LVZZJVSSKULNMC-VWLOTQADSA-N 464.525 5.555 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)c2C#N)C1 506604119 SHMVKIZNVPTAIW-LJQANCHMSA-N 479.646 5.027 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(OCC(F)(F)F)c(C#N)c4)CC3)c2c1 510766492 QGGRRENMEQOEFT-UHFFFAOYSA-N 472.467 5.401 30 20 JKED CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511419844 AQZBPYGQAZYVAV-UHFFFAOYSA-N 451.473 5.597 30 20 JKED C=CCN(C(=O)c1ccc(Oc2cccnc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 513183265 HXFLHKUGAUWBOD-UHFFFAOYSA-N 458.499 5.738 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1 513210058 IZWSZEAEGMFKFF-OAQYLSRUSA-N 476.458 5.511 30 20 JKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1nc2ccccc2s1 513655229 PDASMZUBSMGWSO-SFHVURJKSA-N 461.340 5.780 30 20 JKED C=CCn1c(SCC(=O)N2CCC(OCc3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 515191438 QJRWCILJBDFYPD-UHFFFAOYSA-N 483.037 5.084 30 20 JKED Cc1c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)sc2ncc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc12 515553011 NFUOLIYSIMLJGX-MSOLQXFVSA-N 493.592 5.330 30 20 JKED Cc1ccc([C@@H](NC(=O)CNc2ccccc2Oc2ncccc2C#N)c2cccs2)cc1 515670251 QTAWPPZKABJRON-RUZDIDTESA-N 454.555 5.433 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(OCC(F)(F)F)nc1 516227600 OAVHWDRTNLOAMI-UHFFFAOYSA-N 456.424 5.317 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 516364046 WFYABSKPPFXHCL-MRXNPFEDSA-N 480.461 5.921 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 517464709 CAEQEGXWTWHZKN-CQSZACIVSA-N 481.565 5.639 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)cc1C 517479040 TUWWXKXGPNUOBH-UHFFFAOYSA-N 477.540 5.658 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 518137697 NVCYJGLPSUXDGL-MRXNPFEDSA-N 469.563 5.131 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)cc2)c1 518731646 CILCVFPBGJIPJH-UHFFFAOYSA-N 481.483 5.759 30 20 JKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1nc2ccccc2s1 518871915 VHBHDGSKLGOBRF-CQSZACIVSA-N 474.382 5.669 30 20 JKED Cc1ccc(-c2nc(CCNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)co2)cc1 519030312 KKUYNDXZNKPVMN-UHFFFAOYSA-N 466.541 5.659 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 519879903 QJTOSJULKCSIKG-LJQANCHMSA-N 490.535 5.374 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 520126495 LLWMOFUJUNYGAJ-UHFFFAOYSA-N 488.385 5.330 30 20 JKED COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Br 520801132 YNQRCPACRBILBC-UHFFFAOYSA-N 495.342 5.283 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)c2)cc1 521431786 UBOBNPSOAICJGL-FTJBHMTQSA-N 459.521 5.513 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1cccc(C)c1 521720823 YJORJMJUEGEGLU-QGZVFWFLSA-N 451.621 5.256 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nnc1-c1ccc(C(C)(C)C)cc1 521731892 CYZMRBVNHPRARI-JOCHJYFZSA-N 463.651 5.257 30 20 JKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 521767413 HXDOAKMLEQXJPY-UHFFFAOYSA-N 461.946 5.039 30 20 JKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 522957903 JOTYRTXAMYZTFB-FQEVSTJZSA-N 481.383 6.108 30 20 JKED Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 524012007 AJXMNWVJZVLBQR-QFIPXVFZSA-N 457.961 5.090 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSc3nncn3-c3cccc(Cl)c3)cc2F)c1 524496277 LJFBFINTGPNTFY-UHFFFAOYSA-N 493.951 5.241 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 551889358 OYWPGYYRLQXYQD-OAQYLSRUSA-N 464.491 5.422 30 20 JKED N#Cc1c(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc2c1CCC2 602754427 DIEMBJZVFOHFQZ-UHFFFAOYSA-N 454.905 5.031 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)c2)cc1 603921440 ZFISRDZUDNUYLU-UHFFFAOYSA-N 484.581 5.102 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccccn3)cc2Cl)cc1 604135139 HOVXMQVTOFMLLA-RUZDIDTESA-N 482.927 5.243 30 20 JKED CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604142567 QZKUNADUCIZFGY-QGZVFWFLSA-N 477.948 5.607 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1SCC(=O)N1CCCC1 609062043 SWAHPKQFUZQDAP-UHFFFAOYSA-N 485.609 5.413 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 609079359 YYVPKOQTFXEXQP-OAQYLSRUSA-N 499.489 5.026 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2Cl)c1 609079695 IVQLRXGSXAXIHM-DEOSSOPVSA-N 483.902 5.674 30 20 JKED CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1Cl 609218883 VDZVNRVOMXTEDC-UHFFFAOYSA-N 473.913 5.211 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 609377215 RFYFNOKDXOYOJI-CTNGQTDRSA-N 457.599 5.582 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 609428693 UPGOOIMRLBIDQZ-JKSUJKDBSA-N 472.035 6.650 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609435391 LQEUKBODXHYTIZ-JHJVBQTASA-N 453.452 6.112 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 613345990 AZCWZKRMDUZHGM-KRWDZBQOSA-N 482.348 5.389 30 20 JKED C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1ccc(Cl)cc1 614507631 JMGVTEVPNCNIEL-UHFFFAOYSA-N 464.978 5.600 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 616326093 IBUPBJRNKLQZHJ-UHFFFAOYSA-N 491.407 5.109 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)cc1 626582979 RFKCYOQTMPIQPN-UHFFFAOYSA-N 451.530 5.408 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1[C@H]1COc2ccccc2O1 639394434 MUVUFTJYGIPZGF-DHIUTWEWSA-N 478.618 5.349 30 20 JKED C=CCn1c(SCCN2CCCC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 642282771 OYDYCWXFAAFYJC-UHFFFAOYSA-N 469.614 5.369 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2cccnc2)nnc1-c1ccc(Cl)cc1Cl 680013114 DBCGSJJYXLYXMM-LJQANCHMSA-N 474.417 5.289 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)cc1 726073782 KNNIZVMAKVTVFG-UHFFFAOYSA-N 494.452 5.531 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](c2ccccc2)C2CC2)cn1 726116719 JISUIYRBIQLAGD-LADGPHEKSA-N 473.602 5.015 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cc(OC)ccc1OC 726398943 VZHIFXIQBFTGNG-QHCPKHFHSA-N 475.570 5.003 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)c1 726404881 HFUKMHDBERTRQW-SANMLTNESA-N 490.588 5.377 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccsc3)C2=O)cc1 726418560 DYFDBGJSMDIUQM-OVRHBKGWSA-N 497.667 5.602 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1cccs1)c1cccs1 726421213 ONJSHGVONSOKHU-CYCDVZIASA-N 487.647 5.581 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)n(Cc2ccco2)c1C 727927407 GTSAMJKJAQJRIP-ROUUACIJSA-N 486.355 5.210 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 728127614 ZMHQNDGORHFBTR-ROUUACIJSA-N 472.511 5.411 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1cccs1 728420236 BHCVMTPRRWLOPT-OAQYLSRUSA-N 460.584 5.089 30 20 JKED COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1 728668859 CBJAGLWYGSBZPO-UHFFFAOYSA-N 499.548 5.857 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)cc1 728700330 OTBCJNCEHNHHQZ-XTBHVRTMSA-N 468.365 6.745 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(C)[C@H]2CCSc3ccc(Br)cc32)c1=S 728909277 MGVZXWSXMOHCPY-SFHVURJKSA-N 488.480 5.551 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@@H](C)c1cccs1 729631420 ITHLMIHSLOENQE-IPTCSCHISA-N 482.606 5.181 30 20 JKED CCS(=O)(=O)Nc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 729636459 JIMZTVVGXXBUNJ-UHFFFAOYSA-N 469.567 5.095 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1c(C(C)C)cccc1C(C)C 729670331 OXJGMBJUOQHXFC-UHFFFAOYSA-O 493.649 6.214 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(Cc3cocn3)C2=O)cc1 730710958 VXHZSIPEOYKKOG-IBGZPJMESA-N 488.491 5.162 30 20 JKED COc1cccc(NC(=O)/C(=C\c2ccc(OCc3occc3C(=O)O)cc2)C(=O)c2ccccc2)c1 730951801 RIEDWUOEKVAGDV-XYGWBWBKSA-N 497.503 5.470 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)o2)cc1 731059840 BPQRJWGSCUVQAR-MRXNPFEDSA-N 462.527 5.339 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(F)cc(Br)cc2[nH]1 731072984 GWJRYDFJUIFMHP-GFCCVEGCSA-N 490.354 5.259 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731305575 MTFAGTXGEYXXIT-IBGZPJMESA-N 471.991 5.268 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)CCc1ccco1)c1cccs1 731311974 JHXMQLZVCJEMTQ-UUCIGQSESA-N 497.642 5.458 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)(F)F)cc3)N(C3CC3)C2=O)c1 746971378 AXNJRIBLYTWTTD-IBGZPJMESA-N 477.508 5.325 30 20 JKED C=C(C)COc1cc(/C=C(/Cl)c2nnc(C(=O)NCc3ccccc3)s2)ccc1OC 747063433 KFDUGVMXVFYOON-WOJGMQOQSA-N 455.967 5.169 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)c1 747601307 UWNSNBFHRIAYMA-HXUWFJFHSA-N 482.606 5.102 30 20 JKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2N/C=C\C(=O)C(F)(F)F)c(Cl)c1 829816867 NWSMBJKFFRLFOA-QIAWRQBBSA-N 468.859 5.198 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C2SCCCS2)cc1 914520005 GEGYUMPLYADSRD-UHFFFAOYSA-N 492.641 6.487 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)c(Cl)c1 914539415 AYUDLCFDLNUVBI-MRXNPFEDSA-N 468.431 5.164 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 915087025 ZHOBQNDNGMAQEW-ZJSXRUAMSA-N 489.522 5.434 30 20 JKED N#C[C@H](C(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)c1nc(-c2ccccc2)cs1 915101793 IXYFLAUXTXHOOC-OAHLLOKOSA-N 478.624 5.119 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2n1C(F)F 915104235 NQZDYOUUMCJMTF-UGSOOPFHSA-N 477.298 5.219 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916210338 BSKCWUKNFMDQHV-YJBOKZPZSA-N 496.391 5.272 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)cc(C)c1 916210732 HTSVMRNYXMLTJW-IBGZPJMESA-N 461.509 5.469 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=Nn1cnc2sc3c(c2c1=O)CCCC3 916288658 SLTHMTMLLSPUGZ-UHFFFAOYSA-N 472.401 5.079 30 20 JKED CSCC[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 916628512 WAWZMEOUYPKGMV-ICSRJNTNSA-N 496.013 5.058 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCc1ccncc1 916678789 AJGFOHAKNAINCG-JIPXPUAJSA-N 492.579 6.207 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)cc1 916720503 MIWJEZHAAYQALE-QHCPKHFHSA-N 475.976 6.060 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Br 916910282 SMCSTSSHAUOIDK-IBGZPJMESA-N 493.357 5.530 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916918180 NPQGWXPFUQQNIM-IBGZPJMESA-N 487.968 6.077 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1Cl 916941120 PDWLVWBRUXROTI-QGZVFWFLSA-N 499.379 5.672 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944415 DBHFPACEPPGYEY-MRXNPFEDSA-N 464.255 5.207 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042046 AYVFJKAVHQFUFL-OAHLLOKOSA-N 473.505 5.173 30 20 JKED O=C(Nc1cccc(C/N=C\c2cc(Br)cc(Br)c2O)c1)c1ccncc1 917558463 SJJFKPINNDBTSD-MSXFZWOLSA-N 489.167 5.184 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2cccc(C)c2)N=C1C 917609846 GQFUDDFKEXCDQK-UHFFFAOYSA-O 456.591 5.753 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 917664613 RELZZGILHFZOBS-KRWDZBQOSA-N 484.380 5.129 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2)n1 917679829 UUQHCVHFEUMKPQ-NRFANRHFSA-N 482.968 5.343 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2sccc2C)C1=O 917702302 FNMPEYQBIGRXOP-NRFANRHFSA-N 490.610 5.097 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2cc(Br)cs2)n1 918487564 PUVITWWDDDAZJA-GFCCVEGCSA-N 466.769 5.249 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 918542111 ZXXXCPJVZZFWIO-UHFFFAOYSA-N 466.501 6.077 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 919864324 LXLYHWIDJVRLRZ-UHFFFAOYSA-N 495.988 5.003 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 920113016 OJUZPYKRBJFSON-MLGOLLRUSA-N 488.421 6.756 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3sc(C)nc3-c3cccs3)n2)cc1 920138864 LJMKVDNWWRGUKV-MRXNPFEDSA-N 451.598 5.731 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 920140661 IYOVOOMONQFRRC-MGPUTAFESA-N 464.959 5.015 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1ccccc1C 920142280 UOYHOQLUDMZHOR-HXUWFJFHSA-N 484.610 5.237 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccccc4Cl)o3)n2)cc1 920142547 LAONKPJWEICVHC-GOSISDBHSA-N 463.946 5.936 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)cc1C 920353416 JDRMHTZNGGSLIS-JOCHJYFZSA-N 498.555 5.347 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1c(C)noc1C 920354786 FZLWXCOZFKPEEX-QFIPXVFZSA-N 462.575 5.014 30 20 JKED CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805702 FRUHALDUTXZNHH-RXAGXOGYSA-N 497.611 5.622 30 20 JKED CC(C)(C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Br)cc1 920806321 JUTSVRIZPRVFBV-AWEZNQCLSA-N 461.331 6.005 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3CSc3ccccc3)C2)C1 1781943406 OGIUUYSPGMFQMT-SVEHJYQDSA-N 490.669 5.191 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccco5)no4)CCC3)cc2)c1 1786040625 AQNNBBKVQYTNPI-UHFFFAOYSA-N 480.524 5.187 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)Cn4ccc5c(F)cccc54)cc3)CCC2)c1 1786107667 LCGFKJAVOCCZRU-UHFFFAOYSA-N 496.542 5.109 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccccc4Cl)cc3)CCC2)c1 1787749085 LYGYIXRJYDIIFS-UHFFFAOYSA-N 473.960 5.211 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)CC3CCN(C)CC3)CCC2)cc1)c1ccccc1 1789601772 BCXQEKBUYUITLQ-MHZLTWQESA-N 471.645 5.050 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790046691 QEIMNASCQWWPOI-JOCHJYFZSA-N 475.545 5.046 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nccnc5c4)CCC3)cc2)c1Cl 1790084108 YWSXYBPZOCUVCI-UHFFFAOYSA-N 481.943 5.216 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(Cl)cncc5s4)CCC3)cc2)cc1 1790287746 QYSHFTZIMKALHC-UHFFFAOYSA-N 486.984 5.883 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1 1790647518 CHLWMDQMCZTQQD-HNNXBMFYSA-N 479.474 5.393 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)cc4F)cc3)CCC2)c1 1790663967 OJDYBHACIFKEQY-QGZVFWFLSA-N 457.505 5.220 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccccc34)CCC2)cc1)C(F)(F)F 1791302953 GQMXCHVDWJLQJU-UHFFFAOYSA-N 455.480 5.353 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1)C(F)(F)F 1791304892 SQCJEBOFYUXVTG-UHFFFAOYSA-N 492.295 5.187 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(ccc5ncccc54)s3)CCC2)cc1 1791578215 ZVXAMLJSKUAQBR-HNNXBMFYSA-N 461.612 5.516 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC=CCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681958 DKUNNNRYEWOAJL-OFNKIYASSA-N 479.621 5.042 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)nc4F)CCC3)cc2)c1 1792121990 GFCRMDNGDBLGOS-MRXNPFEDSA-N 460.484 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)c1 1792123455 BYLUFFLFINAOPD-HXUWFJFHSA-N 474.564 5.923 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nc[nH]c5c4)CCC3)cc2)c1 1792124009 YBRTWTNPRCPQJI-SFHVURJKSA-N 463.541 5.251 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Cl)c(F)c3)CCC2)cc1 1792236640 NKHYZXTYAFSQGD-UHFFFAOYSA-N 491.950 5.106 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)cc2C(F)(F)F)C3)cc1 1792483287 AFPFATNAXDSBJW-ACDBMABISA-N 489.925 5.115 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1cccc(Br)c1)C2 1792567652 QYVLOPNSFYEPBA-WKCHPHFGSA-N 491.470 5.239 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1c[nH]c2cc(OC)ccc12)c1ccccc1 1797709040 PMTVWEZGCFCUPE-JLNUAJCKSA-N 495.623 5.025 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cncc3s1)C2)c1ccccc1 1798553083 HGNOWDJJTPRWNW-PLACYPQZSA-N 492.044 5.399 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C)C2 1798591248 XLJKQGQWDFHWRP-BJESRGMDSA-N 489.701 5.091 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)[C@H]2c2cccnc2)C1 1802414880 ARSMEJLXWRALQW-SQHAQQRYSA-N 483.612 5.064 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1802496549 JODNSTRWILJRHO-URXFXBBRSA-N 480.052 5.465 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1803086699 LKGGARBIFZKWBV-NAKRPHOHSA-N 480.612 5.232 30 20 JKED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1803524096 ONOQYDAMLPONHN-ACDBMABISA-N 485.506 5.299 30 20 JKED Cc1c(Cl)ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)c1Cl 1803539395 TWSNJXIWDZPINX-PPRPKMEESA-N 470.400 5.495 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4nc(C(F)(F)F)[nH]c34)CC2)C1 1804858444 DFBJOMJFOANULB-UHFFFAOYSA-N 490.570 5.419 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCC4(CCCN(C(=O)CCc5cccc(C#N)c5)C4)CC3)c2O1 1805327281 GCFJFIOVKCTMGR-UHFFFAOYSA-N 499.655 5.139 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[C@H]1c1cccnc1 1807914563 FKKCKWMEPUFZSX-MUXSNRJPSA-N 493.611 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccoc2C(F)(F)F)[C@H]1c1cccnc1 1808575523 RIFBMOPZEGDESP-PKOBYXMFSA-N 463.500 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1810681523 FMDUUHKBGZVWBQ-KNQAVFIVSA-N 457.977 5.186 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1811304789 PVJXRJQVCBSQIN-NBGIEHNGSA-N 497.624 5.161 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1811794440 MYENDUXOSVIQEO-WMZHIEFXSA-N 499.011 5.264 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1811893750 MRCJCWHBVLZWCY-MFMCTBQISA-N 494.639 5.248 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c1 1813759886 PVIXWAHVIMERKZ-PRRYLYCMSA-N 478.596 5.219 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1814101602 OMBCFUCEDFOCMG-ANQYBJAXSA-N 478.036 5.128 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)[nH]n1 1814443122 NDYPTJXDZQKTTK-HSZRJFAPSA-N 459.594 5.565 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCOc2ccc(C)cc2)n[nH]1 1814630560 KEXKRWSJMFYWIT-JOCHJYFZSA-N 452.599 5.172 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)[nH]n1 1814828648 CARPPLLDMJKDIQ-OAQYLSRUSA-N 490.633 5.311 30 20 JKED CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1)c1ccccc1 1816736853 ONXZAWWCIYYHQG-UKILVPOCSA-N 469.589 5.100 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818454804 SWWGFLVOLREQDU-BCHFMIIMSA-N 477.568 5.810 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](C#CC)c2ccc(O)cc2)[nH]n1 1819309665 FOODKBSNYXAUBW-GZGNHOFSSA-N 474.605 5.073 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1821923018 RWHOXCQIKKMFTR-GHTZIAJQSA-N 471.561 5.465 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1821986102 PRJZSCLHGZXAFI-HNNXBMFYSA-N 479.940 5.190 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@@H](C)c3ccccc3)n[nH]2)c1 1822046145 USINLVHDUVOAOA-DVECYGJZSA-N 455.562 5.090 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)cc1 1823671524 GCSZDIPCCISEKQ-QFIPXVFZSA-N 485.415 5.002 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823928980 CCYLQMDXDZVGIG-NIYFSFCBSA-N 461.581 5.308 30 20 JKED O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826524705 IJDLINYFTGXKTK-SANMLTNESA-N 474.004 5.106 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1827173387 NJWCTMVKAPQZIN-NDEPHWFRSA-N 482.628 5.214 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc4ccoc4c2)CC3)c1 1827700259 IZSILUPGYHZAPF-FOIQADDNSA-N 470.554 5.056 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827733037 YXQWNUFBIVIDJP-XXBNENTESA-N 485.024 5.424 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1828415188 MLXNVCTUEYXTKN-JYFHCDHNSA-N 489.582 5.028 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828495275 HHOIFRYKKVNMLB-DEOSSOPVSA-N 486.081 5.349 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 1828907616 DWMJPRVIHPYIMW-AREMUKBSSA-N 494.752 5.296 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)oc3cc(O)ccc23)CC1 1829066837 VZRBZWFDDAECBJ-QHCPKHFHSA-N 466.622 5.673 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)c1 1829491027 HRMPNUQCYFWERY-MUUNZHRXSA-N 478.596 5.167 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576546 CVCHIYGZGPQDML-KKSFZXQISA-N 467.660 5.001 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(F)(F)F)cc2)CC1 1830499698 HRLVZVDXVBXSNL-LJQANCHMSA-N 474.470 5.030 30 20 JKED COc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830755729 LUMKZENUBOZGIS-XMMPIXPASA-N 499.533 5.133 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1831447403 MCAGLTISTXSFKO-IBGZPJMESA-N 476.461 5.289 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1)C(F)(F)F 1831450620 DWGLJRNMAHGZRV-QFIPXVFZSA-N 471.523 5.100 30 20 JKED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CCCCCCCCc3ccccc3)CC2)CC1 1833149749 BZHFVCWBZQAJEC-UHFFFAOYSA-N 494.724 5.081 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1834458316 AEIZYPGDAXGTNL-WNCULLNHSA-N 481.725 5.380 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C(C)C)no2)nnc1-c1ccc(Cl)cc1Cl 9826243 MFMDCTLSDQYYLR-UHFFFAOYSA-N 452.367 5.280 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)Nc1ccccc1C#N 10144240 PKEBCJDVCRNULF-HNNXBMFYSA-N 463.950 5.231 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)cc1C 11160233 KSDBHFROCVNQMQ-UHFFFAOYSA-O 453.587 6.014 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(CC)cc2)cc1 11253424 RKHIXSPDHBTGOZ-UHFFFAOYSA-O 467.636 5.442 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1C 12208591 JCYQSUDKCGTJHZ-UHFFFAOYSA-N 482.613 5.044 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccoc1C 21140643 CTSUSQUKJVQCLY-LJQANCHMSA-N 458.587 5.419 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)cc1 25438462 BCMOMTPWTDBELS-VWLOTQADSA-N 484.987 5.602 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)c1C 28695986 ISVOGYYDOGEJJX-UHFFFAOYSA-O 496.628 5.583 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29956852 QBPXSCUYSSNWOF-NYHFZMIOSA-N 464.447 5.126 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC(=O)N3)nnc1-c1ccc(Cl)cc1Cl 33066070 RICWGNOOFIRXSN-UHFFFAOYSA-N 488.400 5.053 30 20 JKED N#CCCn1cc(C(=O)COc2c(Br)cccc2Br)c2ccccc21 72042639 QGFCLRGJVAAQDE-UHFFFAOYSA-N 462.141 5.342 30 20 JKED Cc1ccc(Sc2ncccc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1C 104687671 GZSGGNHDUFPXAK-UHFFFAOYSA-N 489.651 6.117 30 20 JKED O=C(Nc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1)c1ccc(F)cc1 107868109 YUPRHYYUYHLDBL-ZIAGYGMSSA-N 476.392 6.404 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)cc12 216737728 OTBHMGFVRLDZGK-HNNXBMFYSA-N 499.427 5.569 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3C)n2Cc2ccco2)c1 301908464 SOEHHHNMVQEESK-UHFFFAOYSA-N 485.613 5.551 30 20 JKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)n2)n1 303197708 NOXJFPAKGAGTLH-UHFFFAOYSA-N 457.921 5.241 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nnn1-c1cccc2cnccc12 303414735 VXUWNUWNQCQFDV-UHFFFAOYSA-N 494.942 5.480 30 20 JKED CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc(-c3ccco3)nc21 303418468 XMAUTZYOBVJVLU-GOSISDBHSA-N 454.317 5.574 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(c1nc2ccccc2s1)c1ccccc1C(C)C 499115106 CYGLQUJTRAWBRG-UHFFFAOYSA-N 470.598 6.306 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 501003596 WDPMTIRBECOIMX-UHFFFAOYSA-N 450.907 5.180 30 20 JKED N#C[C@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2ccccc2n1C(F)F 501317971 YHHIDFYRBBSQSP-CYBMUJFWSA-N 452.852 5.033 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 501872293 HVSNWOXTISJMHB-UHFFFAOYSA-N 474.582 5.410 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)CC2)c1 502660301 JPQRILVQVGDRLQ-UHFFFAOYSA-N 485.510 5.060 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)oc12 503209889 VTMBCBNNRIXBKF-SFHVURJKSA-N 499.592 5.925 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cnn(Cc3ccccc3)c2)cc1Cl 504434695 FEJCOTNTKLBRCK-DEOSSOPVSA-N 455.949 5.562 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc1 505787359 ALQQTBDHMTUEKR-UHFFFAOYSA-N 498.652 5.917 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)Cc1cccs1 505894419 DFGPPWGKAXJUCE-KRWDZBQOSA-N 492.048 5.525 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)cc1 508144005 QDBXMCPZORGVAI-UHFFFAOYSA-N 480.568 5.288 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 508542756 RKJBITKOOBHPQA-UHFFFAOYSA-N 453.523 5.703 30 20 JKED Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1cccc(OCc2ccccc2C#N)c1 509183764 LQBGNFKANIDRMS-UHFFFAOYSA-N 452.514 5.871 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(CC)cc3)s2)nnc1-c1ccccc1F 510313088 MQEGAZAIULSTMF-UHFFFAOYSA-N 480.594 5.229 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 510889560 XNLNJWIEMIWZGU-UHFFFAOYSA-N 474.948 5.302 30 20 JKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc(O)c2c3c(sc2n1)CCCC3 513681495 DEQHMLBWBMSJMD-SFHVURJKSA-N 499.552 5.286 30 20 JKED COc1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 515510337 LYLGAXCYKICCDU-HXUWFJFHSA-N 469.310 5.170 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(-c3ccccc3)nc21 516270210 PNEJTFKLRQDIEN-NRFANRHFSA-N 474.549 5.603 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 516451130 BBHITRSJTCPDMF-UHFFFAOYSA-N 499.464 5.250 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 518121199 VQYDQJMKAIPFEG-UHFFFAOYSA-N 487.025 5.017 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CCCS(=O)(=O)c3ccc(Br)cc3)c2)cc1 518652173 BNELDCDLAMAXTE-UHFFFAOYSA-N 499.386 5.306 30 20 JKED Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1NC(=O)c1ccccc1I 518905474 BGIZFHDQKJJGBG-UHFFFAOYSA-N 487.341 5.265 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCCO5)n3)n2)cc1 520942377 AQNBTOCGYZECHA-KRWDZBQOSA-N 459.552 5.503 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 521494908 DNGYEEPFGOLYFP-BCHFMIIMSA-N 453.542 5.289 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(I)cc1Cl 521725986 ITBWFIZARQMBCP-LLVKDONJSA-N 456.736 5.449 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 523635057 JCHLQRJSTCMFPC-UHFFFAOYSA-N 492.535 5.095 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)cc2Cl)c1 524248893 NNGRBIRAWVZXCS-UHFFFAOYSA-N 482.927 5.690 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 524616890 FWUUQBIWCHAPIN-INIZCTEOSA-N 496.570 5.042 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCC(=O)Nc1cccc(Br)c1 553660123 LVWLGEUURWCKCW-AWEZNQCLSA-N 478.437 5.154 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 558903688 MYLSSAOCAZNHKN-JOCHJYFZSA-N 498.583 6.059 30 20 JKED C=CCOc1ccc(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1Cl 589641589 PKENKFATUWJMQG-HXUWFJFHSA-N 452.904 5.377 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@H]3CN(Cc5ccccc5)C[C@@H]43)c2)cc1 594669680 WDZDMISEDGARFK-KHUDPXOFSA-N 463.581 5.333 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 603468034 JTYYMHKDEGTCMH-UHFFFAOYSA-N 471.460 5.440 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([N+](=O)[O-])cc1OC 603613823 YBYOXHRAOCIKAT-MMRXCNNESA-N 467.547 5.026 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603622232 OWXUEFPEPVTBMT-BGYRXZFFSA-N 484.556 5.166 30 20 JKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)[nH]c2c1 604510372 WQIKXUYVNTWMGJ-LJQANCHMSA-N 475.603 5.256 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)s3)CC2)nc1 608950625 KHRYSWLEDVGLDG-UHFFFAOYSA-N 457.386 5.387 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]2CCCC[C@@H]21 609377051 OUJQRACEXXGGAI-VKGYTVAMSA-N 477.630 5.359 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 609439650 KHQMEMYCUDZETC-KBMIEXCESA-N 455.583 5.194 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)nnc1-c1ccc(F)cc1 613938372 XCEUUOFUBTUZNW-XMMPIXPASA-N 490.629 5.598 30 20 JKED O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300972 IARSTJAINKLYOD-BETUJISGSA-N 490.391 5.961 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)n2Cc2ccco2)cc1 619624934 MOHDFWSADZNBNT-LJQANCHMSA-N 487.585 5.022 30 20 JKED N#C[C@H](C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1nc2cc(C(F)(F)F)ccc2s1 642282007 BNCXVRSFUHGTCY-MRXNPFEDSA-N 482.487 5.241 30 20 JKED COc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CCC2)cc1 726322264 SBCMXYPWNVZLTB-SFHVURJKSA-N 457.382 6.424 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 726393004 LTNZZYIWNVHXIB-GAJHUEQPSA-N 479.577 5.364 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 726399750 OBYVARBTRHVFDR-BEFAXECRSA-N 493.601 5.387 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CC(F)(F)F)c1cccs1 726414259 AJNACNKFQJHNFG-HYEROLQFSA-N 493.935 5.493 30 20 JKED CC(C)Oc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)n2ccc(=[N+](C)C)cc2)cc1 726570555 FVAJKHSXXRVKOJ-UHFFFAOYSA-O 494.040 5.155 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2ccccc2)cc1Cl 726572155 VDVCNYBDBFRRLF-UHFFFAOYSA-O 468.989 6.489 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccc(CCC)cc2)c1 726572885 QTLIVAFVISNKRB-UHFFFAOYSA-O 484.645 5.638 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3nc(-c4ccc(C)cc4)sc3C2=O)cs1 727653818 APCZGYWYHVMHRJ-AQTBWJFISA-N 489.597 6.611 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cn3)o2)cc1 728025183 ZIAQDNVCFFKPHP-UHFFFAOYSA-N 472.888 5.283 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ncccc3C)C2=O)cc1Cl 729633809 GIHJDHDPVOXROC-QFIPXVFZSA-N 495.004 5.213 30 20 JKED Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1C=NNc1cnnc(O)c1Cl 730568432 XDMNYYHCCJNSPS-UHFFFAOYSA-N 499.756 5.331 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCCc2c[nH]c3ccccc23)C1=O)NC1CC1 730713078 LNSOPPDYKDYFNH-QFIPXVFZSA-N 499.011 5.193 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 730919322 BVOKFTAIXSHUQX-CLOONOSVSA-N 474.582 5.135 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCC2 731061264 RBMIKBKSFULJAR-HNNXBMFYSA-N 499.658 5.411 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 731070426 MMGZEXUZWZYANL-LBPRGKRZSA-N 462.358 5.664 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 731198533 LJXHCBLERMWHAC-HZQOKBKYSA-N 483.684 5.408 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(OC)c2)s1 731307607 ILQCJBWYVQZPJL-JOCHJYFZSA-N 495.626 5.185 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C(C)C)c2)n1 731311870 FZUUACWUWJZGMM-DEOSSOPVSA-N 488.613 5.380 30 20 JKED COC(=O)c1sc2[nH]c(/C(Cl)=C/c3cccc(OCc4ccccc4C#N)c3)nc(=O)c2c1C 731318730 KEMYGCMZMGJEFG-ODLFYWEKSA-N 491.956 5.267 30 20 JKED C[C@H]1CN(c2ccc(CNCc3cccc(OCc4ccccc4C#N)c3)cc2F)C[C@H](C)O1 731360415 BDIQYNZSPNKELL-SFTDATJTSA-N 459.565 5.180 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)cc2)cc1 732622759 VAKZAIXMHFCDQM-UHFFFAOYSA-N 460.533 5.836 30 20 JKED N#Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC2(CCCCC2)CC3=O)c(C(F)(F)F)c1 742634946 WGOCCEQMQXYMSB-UHFFFAOYSA-N 465.449 5.013 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3cccc(Cl)c3Cl)n2)cc1 743457762 KUGIZWSAQCTVHI-INIZCTEOSA-N 461.370 6.161 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2cc(C)ccc2F)cc1 744114427 BBLQDMZQPLADMU-UHFFFAOYSA-O 492.640 6.419 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(NC(=O)C3CCCCC3)CC2)c1=S 744157734 VFBGNEHXHLTCIJ-UHFFFAOYSA-N 474.074 5.039 30 20 JKED COc1cc(C=NOCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(Cl)c1OC 744179743 DZVMLLOJHUDDCI-UHFFFAOYSA-N 456.873 6.050 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1cccc(OCc2ccccc2Cl)c1 744797004 VIAGWYLPPOBIPG-UHFFFAOYSA-N 482.949 5.138 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1 745626358 NMSSGYNAUZCUTJ-QINSGFPZSA-N 479.536 5.460 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 746664662 PQVUGOHIOYYBDL-GOSISDBHSA-N 464.418 5.525 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)c2cc(F)ccc2F)ccc1Cl 750554132 XVDQKPFAQOIQKY-UHFFFAOYSA-N 494.922 5.415 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 750686115 DTCRUEVVUPUJOP-DYESRHJHSA-N 468.985 5.374 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2cccc(Br)c2)cc1 751014732 RLUHRFZNFXZYIX-UHFFFAOYSA-N 454.349 5.931 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799211393 AAULHEVDDKMOMC-HNNXBMFYSA-N 494.297 5.655 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(F)(F)F)c1 799214413 FXPHVTXSBATFMO-HXUWFJFHSA-N 487.503 5.371 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@H](C)c3ccccn3)C2=O)cc1 837301980 NQFYEJJZVXZTCW-UZUQRXQVSA-N 492.576 5.341 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](C)CCc2ccco2)C1=O 837514241 HUKYWWFELBCHST-WZONZLPQSA-N 477.586 5.270 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 837639985 UHCSIZSPHZSRKB-AUSIDOKSSA-N 458.587 5.420 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)c2ccccn2)C1=O 837744663 SUEGDNKJHOJBLE-AOMKIAJQSA-N 496.995 5.904 30 20 JKED C[C@H](OC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 875260517 XGBUBYXLWGPGBX-HNNXBMFYSA-N 493.610 5.386 30 20 JKED C#CCN1CCC(c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)CC1 904667601 BZYIFPQUQRYGAK-UHFFFAOYSA-N 462.859 5.409 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)c2ccccc2OC)ccc1Cl 914511004 BNXLYZQAEARYRC-UHFFFAOYSA-N 485.005 5.397 30 20 JKED C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)ccc1F 915871431 ULAYRHJDMAAHGI-UHFFFAOYSA-N 496.347 5.036 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCC(C)C)c1 916206056 LVZJWGMGSWBWQZ-HXUWFJFHSA-N 493.551 5.720 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)c1 916207896 OGKULUFZVRMYEK-DEOSSOPVSA-N 472.614 5.210 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916217873 XUSZIXMEENKULD-GOSISDBHSA-N 466.390 5.372 30 20 JKED Cc1ccccc1-c1nnc(S)n1N=Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl 916342227 ZBQWKZHEZVCKRB-UHFFFAOYSA-N 457.390 5.284 30 20 JKED COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cc1CC(=O)O 916546872 LVWATOVMTQDDPW-HJWRWDBZSA-N 459.329 5.078 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 916844917 JVSHUIZZXTVBNI-OAHLLOKOSA-N 455.564 5.946 30 20 JKED N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(SC(F)F)cc1 916887173 MUTDLVYRFAOTFV-HNNXBMFYSA-N 460.449 5.460 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916887912 OYJHKSBTMRPMGS-HXUWFJFHSA-N 471.529 5.481 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916928511 MWCYTWKGLPGIGT-MRXNPFEDSA-N 499.741 6.054 30 20 JKED CC[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1)n1nnc(-c2ccc(Cl)cc2)n1 916975316 XQLREOFKYFARDU-AZUAARDMSA-N 462.966 5.253 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1=S 917436269 APVAPUIZRLYYHE-NRFANRHFSA-N 495.737 5.493 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cs1 917561374 DOTMRXGSIGJIKM-JXMROGBWSA-N 450.869 6.396 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 917673806 FSLUKAIGXRKUHO-QFIPXVFZSA-N 494.020 5.216 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)CC1 917673952 KGFHBEZVAYLIIT-QFIPXVFZSA-N 482.625 5.049 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C)cc1 917682892 LSCMKRZDJBEOPI-LJQANCHMSA-N 493.601 5.307 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1 918547314 OBAZPXSOLOSEIF-GNVQSUKOSA-N 498.624 5.130 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2c(C)oc(-n3cccc3)c2C#N)cs1 919006920 BVRQXMPPNNRSPO-UHFFFAOYSA-N 460.515 5.057 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc2ccccc2s1 920106288 MMVUGKMISNMWFC-IBGZPJMESA-N 451.507 5.714 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1 920204037 IHZUKHYFVKXHPO-NDEPHWFRSA-N 459.549 5.625 30 20 JKED COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 920744583 QDFGQIPLRCDSKO-UHFFFAOYSA-N 493.519 5.872 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920805778 FWXDSRZZGSNMDG-SFHVURJKSA-N 479.508 5.691 30 20 JKED CC[C@@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)n1nnc(-c2ccc(Cl)cc2)n1 920807122 YNKIQNOSUVNQAF-KDOFPFPSSA-N 484.919 5.223 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1C 920984383 OQPMELCFMCKVKH-HSZRJFAPSA-N 495.645 5.224 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 929066899 FUOIDBDRYKFSQF-UHFFFAOYSA-N 464.594 5.347 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3Cl)cc2)CCC1 1785955317 KRHQQMFDFVPBRS-UHFFFAOYSA-N 475.010 5.024 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)cc1 1786333395 RUDADEIXYLPAEU-RPWUZVMVSA-N 483.543 5.257 30 20 JKED Cc1ccccc1NCC(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649465 JRUQBRDXTBTMRL-BUHFOSPRSA-N 473.598 5.042 30 20 JKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)c2s1 1788944486 JQBBPVXDEYUWLC-UHFFFAOYSA-N 496.592 5.303 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)cc2)CCC1 1789229645 UBMNADLBTTUDKF-UHFFFAOYSA-N 467.491 5.738 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4s3)CCC2)cc1 1789577931 XDAWLMBUCAUZEF-RWPZCVJISA-N 475.545 5.500 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(C)=O)o3)CCC2)cc1)c1ccccc1 1789600174 FFWRBVRJRQUJHT-DEOSSOPVSA-N 483.568 5.183 30 20 JKED COc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)c1 1790290089 FCOLDJNIGYRXQF-OVCLIPMQSA-N 451.526 5.028 30 20 JKED CC(C)(C)OC(=O)C(C)(C)CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1790355187 MKHMIEQOZMBNHT-UHFFFAOYSA-N 475.589 5.064 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4sccc4c3O)CCC2)cc1 1790567190 IMXHCJFAGIPIFQ-INIZCTEOSA-N 465.575 5.156 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)cc(Cl)c4[nH]3)cc2)CCC1 1790908801 MNQIUNBWCLDBEQ-UHFFFAOYSA-N 485.769 5.245 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cnc4[nH]ccc4c3)cc2)CCC1 1791487278 HHODSHIFPJHKRF-XMMPIXPASA-N 456.590 5.398 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)c1 1792123053 HWKSAWYFYOSEFW-SFHVURJKSA-N 465.544 5.887 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccn5ccnc5c4)CCC3)cc2)c1 1792123961 VPOCPICHENBCDK-LJQANCHMSA-N 463.541 5.023 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn5cccc(F)c45)CCC3)cc2)c1 1792126791 LZAWYUSPGSYBPE-SFHVURJKSA-N 481.531 5.162 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1Cl)C2)c1ccc(Cl)cc1 1793223626 ATMLPDMJYSLCTQ-XARGGIHNSA-N 484.427 5.557 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)cnc3s1)C2 1798593304 AVGNBVGFNQNXBR-BCDXTJNWSA-N 490.467 5.303 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccccc3)n3ccccc23)cc1 1799098602 HABJZCUGNLCSBI-QEIWAGNOSA-N 474.564 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(-c3ccccc3)cc12 1799136681 SABAZZGFCXSLHX-UEQSERJNSA-N 468.601 5.250 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1802441237 MPLIBVVREYMISJ-PMCSJYAJSA-N 484.625 5.193 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1802494687 GODXRTSGMAFZER-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3cc(C)[nH]c23)[C@@H]1c1cccnc1 1802496516 JDTOHAKCSGQWHE-RCZVLFRGSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCc1ccnc(-c2cc(C)ccn2)c1 1802726257 OMASATJNPJQOCS-XDZVQPMWSA-N 486.660 5.181 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1Cl 1802733225 WYVABPASDLYVKJ-RDPSFJRHSA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802830397 MHHPDQXUOXIXQG-BPUDTRNYSA-N 468.041 5.537 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1803081906 OTJHMNMQOARDAN-ZJSXRUAMSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803092558 WEKCHWWAYMHNEI-RCZVLFRGSA-N 485.550 5.117 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(-c5cccnc5)cc4)CC3)C2)cc1 1804762958 SJZZWVRPMAFEKA-UHFFFAOYSA-N 492.623 5.098 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808487796 IBRPVRGKYRTMTL-AJTFRIOCSA-N 490.003 5.508 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCC4(CCCN(C(=O)C#Cc5ccccc5)C4)CC3)cc2n1 1809296418 ZJPPQEPCVZZWLC-UHFFFAOYSA-N 486.015 5.093 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC2(CCCN(C(=O)C3(C(F)(F)F)CCC3)C2)CC1 1809604513 GGWJESHHORLISW-UHFFFAOYSA-N 494.451 5.422 30 20 JKED Cc1scc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1C 1810275302 UAEAQOHQKSZLKA-RCZVLFRGSA-N 481.738 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1810504400 YRNDFYVFLCFRGJ-NOZRDPDXSA-N 477.649 5.571 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3occc3n2-c2ccccc2)[C@H]1c1cccnc1 1811277338 ORORAARJPKOEQM-ZVUIFXONSA-N 482.584 5.150 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3occc3n2-c2ccccc2)[C@H]1c1cccnc1 1812592364 UEIPZIWDIGSKSB-CLHVYKLBSA-N 482.584 5.150 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)C#N)n[nH]1)c1ccc(Cl)cc1 1814566145 WRZIEHKMTJTOIL-FPOVZHCZSA-N 455.990 5.045 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C(C)=C/c3cccs3)[nH]n2)c(O)n1 1816239487 HQWTVKXETQFELN-DKXPKDADSA-N 491.617 5.100 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2csc3c2CCCC3)[nH]n1 1818115427 BMPUIGWUJUOHOH-VYENPZKTSA-N 494.642 5.157 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818742417 ACYQGTSJDLVNKD-QFIPXVFZSA-N 465.985 5.619 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4cccc(Cl)c4)CC3)n[nH]2)c1 1818793904 MGTUGRAUCJWANG-JOCHJYFZSA-N 491.954 5.112 30 20 JKED CC1=CC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)CC1 1818809687 GSHWKRJLNQWPIN-XXBNENTESA-N 475.593 5.121 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)n[nH]2)c1 1818930940 FFYIFFXGZLIEBR-IEEQIXEPSA-N 459.594 5.194 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCCC[C@@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818940865 AZFJMOVJVOFKIZ-OAHLLOKOSA-N 492.395 5.216 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)ccc1F 1819029583 WDGPMTOASXZQGV-SFHVURJKSA-N 493.589 5.245 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)[nH]n1 1819302210 AGFAHEKYCNRKOC-FBPBVXOASA-N 450.558 5.113 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1)c1ccccc1 1819518693 CGLUNGMGCFSQKO-VPUSJEBWSA-N 491.595 5.461 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)[nH]n1 1819554260 OMJWPZOYLRRIHZ-FQEVSTJZSA-N 497.043 5.572 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091471 UGJKMPBOYJWABK-NRFANRHFSA-N 469.545 5.260 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)[nH]n2)c1 1820308697 YMOAUDQXWWGMTG-HSZRJFAPSA-N 480.528 5.021 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)[nH]n2)cc1 1820549707 ZRPSCAZJJINJJI-OAQYLSRUSA-N 482.569 5.025 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)c(Cl)c1 1821278236 IUGAKZBVTZFQQI-CYXJOQHWSA-N 465.966 5.016 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1821924436 BUCJAIHNSBHMDD-ACJLOTCBSA-N 479.806 5.344 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)CCCCC)n[nH]1 1822002619 TUNOWBKFFRTWKW-IRFCIJBXSA-N 489.661 5.088 30 20 JKED Cc1ccccc1CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1822058608 DPEXKYVMUCYFQR-CJFMBICVSA-N 469.589 5.284 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccncc3C(F)(F)F)[nH]n2)c1 1823212268 NHDBFOFVRSUPCX-BTYIYWSLSA-N 496.493 5.070 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)c12 1823216843 OYVAADWJNAQKCH-HXOBKFHXSA-N 496.571 5.146 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2Cl)CC1 1823621638 VGTQAASZNHSFSY-JOCHJYFZSA-N 474.121 5.019 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)cc1 1823984396 XDMWILAQVAHTSN-SANMLTNESA-N 496.026 5.146 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCC3)CC2)cc(C(F)(F)F)c1 1824352597 JIYFTLZWCQUHTC-QHCPKHFHSA-N 475.555 5.391 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1824502541 NHBANDKZWDGRHW-NRFANRHFSA-N 485.427 5.349 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825959029 JGYPVSZZSJOIGD-HXUWFJFHSA-N 468.560 5.833 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cccs3)CC2)c1 1827080297 TYZIGXNXEPYYMO-CLHBGRGCSA-N 461.631 5.322 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827519142 CYMOSTOWHQKHGQ-GCJKJVERSA-N 487.044 5.164 30 20 JKED C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1828485232 CPRJRJNFXKBDAN-MQNAVGNWSA-N 475.555 5.247 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccc(C)cc2)CC1 1828827995 BFVBRBMVHSSENL-LOSJGSFVSA-N 454.680 5.475 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)CC1 1828933176 PWCMHJHIUFIQRP-GKXKVECMSA-N 464.675 5.262 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2Br)CC1 1829066552 IWHQOAVEWYXJNG-IBGZPJMESA-N 465.432 5.268 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccc(C)cc3s2)CC1 1831444871 YGPQMRHBXIKVAJ-IBGZPJMESA-N 461.578 5.049 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1831925605 CJYSYMIANNBBEC-REUBFRLUSA-N 476.661 5.255 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2F)CC1)c1ccc(O)cc1 1831925722 JILYSRPJLXATKT-ATIYNZHBSA-N 494.582 5.101 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832629129 JXFRDCKHBSSDMX-LIIDCPKUSA-N 499.655 5.359 30 20 JKED COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1F 1832750557 DVILTIFEDXZNHB-HSZRJFAPSA-N 486.704 5.119 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CC2(CCCN2C(=O)c2cc(F)ccc2C(F)(F)F)C1 1846890078 GKWHLLJOAWRXBO-UHFFFAOYSA-N 492.366 5.133 30 20 JKED COc1ccc(-n2c(SCC(=O)Nc3ccc(C#N)cc3)nnc2-c2ccccc2Cl)cc1 8752949 FWZOTZNPCGUUMQ-UHFFFAOYSA-N 475.961 5.199 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(Cl)cc1 9414224 PCCRKVKRNIAWMD-UHFFFAOYSA-N 491.400 5.020 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172707 OJODUUGOCVXSOS-UHFFFAOYSA-O 492.665 5.716 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc2c(c1)OCCO2 10180005 RECQCOCTFIZVRG-UHFFFAOYSA-O 453.609 5.037 30 20 JKED COc1cccc(-c2nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)c1 11462299 VCCHYKOATFTVDJ-VOIUYBSRSA-N 484.025 5.131 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)n(C2CCCC2)c1C 12470545 YDSMDXXASRZVSD-UHFFFAOYSA-N 460.563 5.354 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cc1 14621495 AXLXPCSLSDQVFU-UHFFFAOYSA-N 488.438 5.992 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1[C@@H]1COc2ccccc2O1 21089225 RQDHYEFUBLMLGZ-KRWDZBQOSA-N 477.373 5.014 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1C 24770961 HHMARRYACBCXCK-UHFFFAOYSA-N 487.654 5.711 30 20 JKED COc1cc(/C=C2/CC(C)C/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC 96601971 MJDXFEMLLSXKAL-DIEJBQTFSA-N 468.546 5.204 30 20 JKED CN(C)C1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2F)CC1 97545723 WKPGTEMUODIKLV-UHFFFAOYSA-N 472.564 5.059 30 20 JKED Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)nc2c1 104894998 OQMLFFANJJCIFJ-UHFFFAOYSA-N 470.598 5.256 30 20 JKED CCCOc1c(Br)cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC 106116351 YXWAZBPEACMHQF-UHFFFAOYSA-N 496.361 5.866 30 20 JKED CC(=O)Nc1ccc(/C=C2/CC(c3ccccc3)C/C(=C/c3ccc(NC(C)=O)cc3)C2=O)cc1 208021237 KBBWWJXYQGTQRS-OTMNIUQESA-N 464.565 6.217 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 480376399 IIWMVQXMGXMXGP-INIZCTEOSA-N 466.463 6.021 30 20 JKED COc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C(=O)N2CCCCC2)cc1OC 482996333 RGFDQVDGVHKOCF-UHFFFAOYSA-N 485.540 5.246 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)N(Cc4ccc(C#N)cc4)CC(F)(F)F)c3)cn2c1 487836951 GFAZGWFZIWMQNZ-UHFFFAOYSA-N 478.474 5.298 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3-c3ccccc3C#N)s2)cc1 491481554 XVNARPPESOWONW-UHFFFAOYSA-N 453.552 5.493 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C 498072139 XSIGFUWHIAQNAU-KRWDZBQOSA-N 451.368 5.334 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 499837778 ADTZZUMTNGGDEG-QFIPXVFZSA-N 453.311 5.239 30 20 JKED Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C(C)C)cc1 501461283 KBPAVSYMWCNXMD-AREMUKBSSA-N 455.558 5.033 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc(C(=O)OCC)cs1 501948094 RWWNERZLHNGBOB-UHFFFAOYSA-N 498.449 5.029 30 20 JKED N#Cc1ccccc1CSCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 502869727 PBXJOQOOINRAQJ-UHFFFAOYSA-N 460.386 5.502 30 20 JKED COc1ccccc1NC(=O)c1cc(SC[C@@H](O)COc2ccc(CC#N)cc2)nc2ccccc12 508504154 MGJQJGUAURPVLB-FQEVSTJZSA-N 499.592 5.094 30 20 JKED CCN(Cc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(C)=O 513985929 UTIVKYBEEDULLR-UHFFFAOYSA-N 458.537 5.300 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1 514081484 BOISFXSJXDKRIM-UHFFFAOYSA-N 485.485 5.325 30 20 JKED C=CCn1c(SCc2nccn2C(F)F)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 514530893 PIVIRJGUKSEANX-UHFFFAOYSA-N 488.567 6.539 30 20 JKED C=CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516073505 WEVRQIONRBELQN-UHFFFAOYSA-N 463.437 5.379 30 20 JKED C=CCN(C(=O)CCSc1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516074239 OEBKGMLSSPZIHN-UHFFFAOYSA-N 455.561 5.428 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc12 517891793 ZTSQVPHCJLKKRK-INIZCTEOSA-N 475.986 6.057 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 518130739 XSAOWAOPJWRXJX-OAHLLOKOSA-N 494.642 6.480 30 20 JKED COc1cccc(/C=C(/CC(=O)Nc2ccccc2S[C@H](C)CC#N)c2nc3ccccc3s2)c1 518241075 UNVMSLJCZZKJJG-DSPRMBBKSA-N 499.661 7.269 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)cc2)c1 518257043 YFPDWYZVJOQWBB-UHFFFAOYSA-N 468.344 5.406 30 20 JKED COC1CCN(C2(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)CCCC2)CC1 518612919 LYMPCFFMPNSLIL-UHFFFAOYSA-N 463.647 5.004 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 518674114 XQXLHDWUUDFNGN-DEOSSOPVSA-N 455.539 5.283 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c(C)c2)n1 518722667 OEEAZVNQUDFLCS-UHFFFAOYSA-N 477.659 5.523 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 519422690 FXGQQXAWTJEKPZ-HNNXBMFYSA-N 498.699 5.789 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)nc(O)c2c1C 519485171 ILLSQVJNYJWUDJ-QAPCUYQASA-N 468.648 5.314 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NCc4cccs4)cc3)cc2)cc1 520107384 NCDFSIJGMQFEAK-UHFFFAOYSA-N 489.578 5.143 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccoc1C 520813644 OFYBQOZXJHQAGW-OAHLLOKOSA-N 453.593 5.158 30 20 JKED COc1ccc(Cn2ncc3cc(C(=O)Nc4ccccc4S[C@H](C)CC#N)cnc32)c(OC)c1 521327013 MAXMAKDGQRCDJS-QGZVFWFLSA-N 487.585 5.143 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C 521480159 TUEDMLQAJLPOFW-CKNLXJGOSA-N 476.465 6.305 30 20 JKED CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)C1(C#N)CCC1 557570007 UTBMLQCCBWDKBH-UHFFFAOYSA-N 472.401 5.238 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(-c3ccccc3)nc21 591862326 PPKQCIIZKCGBHM-GOSISDBHSA-N 499.546 6.571 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)cc1C 594668406 UHNIOSNMBILHJR-LEZVCQOQSA-N 493.655 5.063 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(Oc5cccc(C#N)c5)nc4)cc3C2=O)c1 603622144 LZRLERCFCFSCDR-UHFFFAOYSA-N 488.503 5.415 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1cccnc1SCc1ccc(Br)cc1 603737293 LXGCWSHOIVMMBH-UHFFFAOYSA-N 452.377 5.280 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2[N+](=O)[O-])n1 603844065 NQCJMHSZGZIFMC-INIZCTEOSA-N 478.580 6.125 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1 603977947 YFRKEMNBXAPOFE-UHFFFAOYSA-N 477.520 5.407 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 604003530 LPRFTPDYRFSSEW-UHFFFAOYSA-N 481.577 5.575 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)s1 604084767 IKKRBLCKJHMCAL-OAQYLSRUSA-N 479.005 5.355 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3nnc4ccc(C(F)(F)F)cn34)cc2Cl)cc1 604088410 RTJXYWZWJVMCIK-UHFFFAOYSA-N 486.841 5.387 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3cccc4ccccc34)cn2)c1 604426748 PXOMVXQHHJBZCJ-VWLOTQADSA-N 462.509 5.201 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)cn2)c1 604566995 RQSQJVXTUMMYGO-UHFFFAOYSA-N 460.578 5.329 30 20 JKED COc1ccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2c[nH]c3ccccc23)cc1 608917648 ODZVNLPXFBGTFA-AREMUKBSSA-N 466.585 5.800 30 20 JKED CC(C)(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 608919914 NLAQZACLLSIPIK-QLFBSQMISA-N 478.399 6.565 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccccc3OCc3ccc(Cl)cc3Cl)CC2)nc1 608970163 UGFBJOKPICRBAW-UHFFFAOYSA-N 481.383 5.238 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(CC(=O)NC4CCCC4)CC3)cc2Cl)c1 609080072 RXIUFPQIEHEKKE-UHFFFAOYSA-N 495.023 5.483 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1C 609176282 FWXZCLZFNGGFKZ-UHFFFAOYSA-N 461.525 5.997 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)c2)cc1 609208412 JFDMMDGTXJUJMO-UHFFFAOYSA-N 465.513 5.812 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 609427584 MEDNDBQIFMXKCZ-RTBURBONSA-N 471.648 5.205 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 668816783 NLHJKBRSPSYZCN-QGZVFWFLSA-N 496.061 5.740 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccccc3-c3ccccc3)C2=O)ccc1OCC#N 725904933 ROBPRLOROWSLFS-KQWNVCNZSA-N 458.564 5.670 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 726074841 VUOGSSRJWIRDPQ-HSZRJFAPSA-N 470.960 6.548 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N\[C@H](C)c1cccs1 726418848 FTZJVFGMOLSYAN-NSJWOJMJSA-N 481.643 5.328 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/[C@H](C)c1cccs1 726421730 PCDOKLHTTLTSAN-CKDLXSCCSA-N 466.415 5.078 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)c(F)c2)cc1 726570937 NXJQRQFGNGOPPJ-UHFFFAOYSA-O 484.979 6.398 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3nc(-c4ccc(C)cc4)sc3C2=O)cs1 727653838 APCZGYWYHVMHRJ-QGOAFFKASA-N 489.597 6.611 30 20 JKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 728669170 LLIBZEJURPFMCW-OAHLLOKOSA-N 456.414 5.227 30 20 JKED CCn1nc(C)c(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c1C 728697364 OKQZKLRYSHHPCW-PFONDFGASA-N 464.525 5.375 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cn(-c2ccccc2)nn1)C(=O)c1ccccc1 728698399 JEPFHZBPDGDFIH-BWAHOGKJSA-N 450.542 5.297 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 728705541 YDRCICRWVLNPGY-UHFFFAOYSA-N 465.431 5.062 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@H](C)c1ccc(OC)c(Cl)c1 728775578 KEJIXQHKEQUQAB-GFCCVEGCSA-N 468.731 5.065 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728780439 TVMFKILFEQBVQK-OAQYLSRUSA-N 487.000 5.750 30 20 JKED CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCSc2ccc(Br)cc21 728797489 RECDHUPUUVBCRI-INIZCTEOSA-N 452.830 5.840 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc1 729113282 YQBGZVMZKRKYOA-HSZRJFAPSA-N 483.549 5.971 30 20 JKED N#CCn1c(C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cc2ccccc21 729305625 UKIOHHMKNVWCCY-UHFFFAOYSA-N 474.314 5.399 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cc(F)ccc2F)cc1 729634902 WHABTDWRAYJVIO-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2C2CCCC2)c1 730528119 WMMUFUXBOAXYBH-QFIPXVFZSA-N 451.592 5.161 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730943670 IZSKDRXHBGTZKG-MBSDFSHPSA-N 493.032 6.073 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 731065649 JWDQLAADUCSJJR-AWEZNQCLSA-N 471.629 5.156 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 731081207 ZXUKGNZXGQPJIK-UONOGXRCSA-N 467.374 5.337 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731307563 UJWLRRKQKWOVAX-GOTSBHOMSA-N 493.535 5.318 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(CC2CCC2)C1=O)Nc1cccc(O)c1 731309387 RYZJTKLTXDRFCP-LJQANCHMSA-N 493.507 5.051 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCOC(C)(C)C)c1 731313001 RZPZPLDFPFYNOZ-JOCHJYFZSA-N 483.634 5.291 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 731399877 HYWNODPAEVZMFG-UHFFFAOYSA-N 450.539 5.119 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 747398659 AAVPOYQEXFZCRQ-RBISFHTESA-N 499.567 5.016 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2ccc(Br)cc2)o1 767315484 XDKGJPZUJSUPCO-UHFFFAOYSA-N 473.124 5.064 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccc(Cl)cc1 855475857 YWFBLKGWEVYUHF-SECBINFHSA-N 488.869 5.599 30 20 JKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)c1 856556413 MZFAPTQZAQCLIQ-SFHVURJKSA-N 462.937 5.560 30 20 JKED N#CCc1ccccc1Cc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904667514 AWMVBXIYSABSNY-UHFFFAOYSA-N 470.838 6.253 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 914694664 QUHZBIBXSJKMAW-IIBYNOLFSA-N 499.539 5.473 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C4SCCCS4)cc3)n2)cc1 915101449 HHEJJIYTKYSUFD-FQEVSTJZSA-N 466.653 6.243 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102714 FGYILSRHYOEDMP-INIZCTEOSA-N 489.340 5.021 30 20 JKED C=CCn1c(SCC[S@@](=O)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 915652702 KXIUSHRBWVTMSB-SSEXGKCCSA-N 452.626 5.211 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)SC2=Nc2ccccc2)c1 916204859 JFFQCAHOEGLQCG-XMMPIXPASA-N 487.581 5.058 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)c1 916205867 SVMYXLFBRGMUBI-VWLOTQADSA-N 486.641 5.518 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC2)C1=O)Nc1ccccc1Br 916210342 BURLECWHBZAATO-QGZVFWFLSA-N 478.799 5.225 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccccn2)cc1 916215351 UAMRRPIOHKJOKR-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1c(C)cccc1C 916217169 GXXQNKKIPXZXJK-SFHVURJKSA-N 463.525 5.693 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3ccccn3)C2=O)cc1 916217607 RGUBKLWYVAXXLO-RUZDIDTESA-N 480.593 5.704 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1cn(Cc2ccccc2)nc1-c1ccccc1 916277382 FXOMGSMSXQOHGF-UHFFFAOYSA-N 466.570 5.036 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Sc1ccc(Br)cc1 916906899 KUZQXOQRVIFMKM-IFXJQAMLSA-N 459.409 5.402 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1-c1ccc(F)cc1 916906972 GDRJLRMQJTVHHD-NRFANRHFSA-N 454.461 5.073 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1 916936116 AAEXRCSJPCCASB-SFHVURJKSA-N 452.869 5.028 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)nc1C 916961565 UXZYAUABQZKVDV-LLVKDONJSA-N 496.481 5.067 30 20 JKED Cc1nc2ccccc2c(=O)n1N=Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 917025034 PDLWGCSDDFGUOR-UHFFFAOYSA-N 453.933 5.152 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 917427604 ZMEFMJJGXJZHCO-KRWDZBQOSA-N 459.493 5.927 30 20 JKED Cc1nc2ccnn2c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 917431665 UOZNNLPAGKIXSK-KRWDZBQOSA-N 470.385 5.586 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)ccc1OC(F)F 917563640 QRBGVIJUJDQMDH-TWGQIWQCSA-N 462.449 5.473 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cs1 917564198 ZEYUOXRCEIJKLW-NTEUORMPSA-N 466.006 6.368 30 20 JKED CCOc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(CC)CC)cc2)cc1 917612094 GJHCYAGQUQCTJC-UHFFFAOYSA-O 472.634 6.471 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccc(C#N)cc3)C2=O)c1 917664264 WDJCUNXFZJMKMW-DEOSSOPVSA-N 484.581 5.036 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)c1 917666526 GTLVKOQRKIQUTJ-DEOSSOPVSA-N 488.613 5.176 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 917680649 JVHQGMDVSHTBSF-GAJHUEQPSA-N 494.592 5.076 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1 918034503 RKDJGXNCWBOEDI-AREMUKBSSA-N 461.525 5.311 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1=S 919950902 WOQITXXMNDKRRI-UHFFFAOYSA-N 453.568 5.052 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 920112077 VOOUDYDCOBSDSY-JXFKEZNVSA-N 494.389 5.898 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc2c(c1)CCC2 920175906 MQIXWBAUHAZQPP-LJQANCHMSA-N 472.397 5.076 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)c(F)c2)C1=O)Nc1ccccc1F 920353429 JJWLEYOZAREFRU-OAQYLSRUSA-N 487.478 5.404 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(C)c(C)c2)no1 920353562 MTPKKXXNSLARBB-OAQYLSRUSA-N 484.528 5.039 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 920868706 LIGOVGAEVXJMFX-LIRRHRJNSA-N 497.514 5.087 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1C 920892203 JNRIARIFERUGTJ-RTBURBONSA-N 478.980 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CCO2)C1 1779245459 HIIPTDXHGNRVPF-JOCHJYFZSA-N 473.828 5.083 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1785939621 WCWLSZJCMIVKPJ-QHCPKHFHSA-N 481.637 5.288 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4OCCc5ccccc54)cc3)CCC2)c1 1786313972 KBDHEXQZMZJYNH-SANMLTNESA-N 465.553 5.010 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)n5ccccc45)CCC3)cc2)CC1 1787881422 MIUPTQXCRVMXSJ-UHFFFAOYSA-N 474.564 5.658 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)CCC2)cc1 1787888943 RDDUXGLAWVNLAY-UHFFFAOYSA-N 459.496 5.683 30 20 JKED Cn1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c(C(F)F)n1 1788840666 JYUAXMYWPVJCMF-UHFFFAOYSA-N 486.639 5.157 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnn4-c4ccccc4)cc3)CCC2)c1 1788870286 CIJURHFUECENTK-NRFANRHFSA-N 489.579 5.561 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789116604 HHBBNMUVFIQMBM-DKUDOZJNSA-N 458.558 5.153 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCCn4cccc4)cc3)CCC2)cc1 1789603882 LRWWWKFFIIDNSE-UHFFFAOYSA-N 454.574 5.172 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5[nH]c(C)cc5c4)CCC3)cc2)c(C#N)c1 1790474501 IUKFINXQETWPOE-UHFFFAOYSA-N 492.579 5.347 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCCc3cc(OC)ccc3OC)cc2)CCC1 1790533087 GOGOWTGONFSKTG-UHFFFAOYSA-N 482.646 5.080 30 20 JKED Cc1c[nH]cc1C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1 1790745110 CWNFDVNUSYCVPW-UHFFFAOYSA-N 477.362 5.019 30 20 JKED Cn1ncc2c(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5Cl)cc4)CCC3)cccc21 1790767744 KCVKCVFAVQFIMT-UHFFFAOYSA-N 483.959 5.160 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3=CCCS3)CCC2)cc1)c1ccc(O)cc1 1791644851 RRYVHARSLFOWDD-FQEVSTJZSA-N 460.599 5.044 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)ccc2c1OCCO2 1792123847 RGJUZYUNJZGLJB-LJQANCHMSA-N 495.579 5.455 30 20 JKED Cc1ncc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)s1 1792126284 DKSRKOSILJSEMV-QGZVFWFLSA-N 458.587 5.069 30 20 JKED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)c1ccc(Cl)cc1 1792821195 OUAKZBCFJBETRY-XKRTTZHXSA-N 489.925 5.286 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3ccc(Br)cc3c1C)C2 1798338063 QDPGFRYQBGJFKQ-YRPNKDGESA-N 484.438 5.259 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccccc3)cc2)c1 1800349201 UGPJGFHDQDGIPH-YEHREXKJSA-N 479.580 5.672 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1 1800629800 WWBJVSPBKKBGJJ-QEIWAGNOSA-N 495.664 5.074 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2ccc(F)cc2F)[C@@H]1c1cccnc1 1802493340 VYZQBIWINBXFMF-YADARESESA-N 487.616 5.150 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1802495394 COUWCBMLTOHGJD-NEKDWFFYSA-N 498.671 5.613 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1802502675 LEOJOCLPZNRVTB-JTSKRJEESA-N 475.967 5.325 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1802944578 ZKAZHQSUKNFKJF-LEAFIULHSA-N 484.644 5.261 30 20 JKED CCCCCc1cccc(CC(=O)N2CC[C@H](CNC(=O)[C@H](S)C(C)C)[C@@H]2c2cccnc2)c1 1803604998 ZSSDPLGPQCBKQG-FXVJXKIMSA-N 481.706 5.017 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(Br)s2)C3)c1 1803682926 SUTMYOSYHFYBLV-DRRINJHYSA-N 498.446 5.103 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1805371283 JLHBBYREFMYXIP-CLCZQPDDSA-N 484.600 5.133 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1806016569 WHYSTEGHUNGECL-UHFFFAOYSA-N 474.601 5.414 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3c(s2)CCC3)[C@H]1c1cccnc1 1806061600 ZOVABLKHZICKHA-ATIYNZHBSA-N 493.749 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(C)c3[nH]2)[C@@H]1c1cccnc1 1809747116 IDPBQAXYACKEGH-RDGATRHJSA-N 458.606 5.183 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810272763 RANZPWPWIWVLGJ-HFZDXXHNSA-N 497.662 5.039 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(F)c3)C2)CC1 1810383015 GRDQWLKZCLAEQT-XMMPIXPASA-N 475.608 5.501 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1cccc([C@H](F)c2cccc(F)c2)c1 1810469171 QBKFDLGBLUVZLP-FMYROPPKSA-N 499.561 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cncc2Cl)[C@@H]1c1cccnc1 1810489373 LLDHLEXJVQPRRH-LAUBAEHRSA-N 475.420 5.095 30 20 JKED CCC[C@@H](C(=O)N1CCCC2(CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)C1)n1cccc1 1810939092 NIURYENTDBXNIH-DEOSSOPVSA-N 469.746 5.112 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1810962359 JYJJGGOSLRWBNH-HZUJVAHNSA-N 479.930 5.286 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c1Cl 1811420077 LAYBPQJPJAFDAU-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cc(OC)cc2C)[C@H]1c1cccnc1 1811633196 OAVPDMDUDFLUFF-RCZVLFRGSA-N 463.622 5.019 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812584153 HAHRTRKMSLDYEB-JGMHOPBPSA-N 471.523 5.032 30 20 JKED CC#C[C@@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1)c1ccc(O)cc1 1812700901 RJHLAZJVEIYDPG-NXNHFINNSA-N 489.660 5.207 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814371076 DRBOKCCNOQTLMP-JOCHJYFZSA-N 465.985 5.619 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1)c1ccc(O)cc1 1815558109 LZPKEHKHNANZMW-GNMGOMLTSA-N 488.563 5.015 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815587648 LIJMTPKAYMVNDY-ILBGXUMGSA-N 491.680 5.306 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)c3ccccc3c2)n[nH]1 1817963859 BEONLLDLJWSHEY-FQEVSTJZSA-N 467.367 5.207 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccnc4ccccc34)n[nH]2)c1Cl 1818443832 DZGPZKSRTWOGLH-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccc(C)cc2)n[nH]1 1818798846 BZPOVSDUGSMSGN-IFMALSPDSA-N 452.624 5.271 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(OC)ccc3o2)n[nH]1 1819002957 XTJPAKKXGWTLOY-PZJWPPBQSA-N 462.550 5.239 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)[nH]n1 1819305550 VVDFRNXXWIOYTL-GHTZIAJQSA-N 474.527 5.432 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3Cl)n[nH]2)cc1C#N 1820427676 VKTSJRYROAORSX-JOCHJYFZSA-N 491.979 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)n[nH]1 1820841203 QQFYKHXXXRCTQO-FYYLOGMGSA-N 491.592 5.200 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2F)n[nH]1 1820997120 AZLMUUROAGJYQD-GBXCKJPGSA-N 480.584 5.412 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccc(Br)cc3c2C)n[nH]1 1821610620 GKJVJPYVKZUIGI-FQEVSTJZSA-N 496.409 5.071 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4nscc34)[nH]n2)c1 1823216248 FEQSSUJNLWNXNA-HJPURHCSSA-N 484.585 5.266 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c1 1823217067 PRSAVNDBHNYAAH-BZWIZDRHSA-N 459.594 5.169 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(Br)c(F)c3)CC2)C1 1823703387 XGBCDQAWUAALIA-QHCPKHFHSA-N 491.445 5.107 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1823812200 LTCNMQKKADSVPU-SANMLTNESA-N 498.652 5.158 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1825785331 VVYUWCCWJQUOHE-NRFANRHFSA-N 489.563 5.494 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c(Cl)c1 1826269241 BSVVRWZSXGHBOI-DEOSSOPVSA-N 456.030 5.415 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC#N)CC2)cc(C(C)(C)C)c1 1826320586 DCNCTIOTPQCINC-XMMPIXPASA-N 451.655 5.429 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1[nH]c3c(Cl)cccc3c1C)CC2 1826423034 NGKGJYMHCILVJJ-HNNXBMFYSA-N 469.010 5.006 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1)c1ccccc1 1827406512 WTNWEMHLBKPKPE-UIOOFZCWSA-N 487.669 5.431 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1828656623 XUQSDKPUQBTMMD-VGOFRKELSA-N 486.454 5.376 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1828827256 TYRHUYWAECDXQO-RTWAWAEBSA-N 493.570 5.111 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc3cccnc3cc2F)CC1 1828827484 OBQQHJLKEOCOMI-RPLLCQBOSA-N 477.624 5.305 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1828830554 PUWBTOWNFATQKA-SHQCIBLASA-N 479.640 5.628 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc3ccccc23)CC1 1829066828 VRXIXOQYQSFYDO-DEOSSOPVSA-N 463.622 5.166 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829580957 IJRVOVGLPJCAAK-NRFANRHFSA-N 481.687 5.307 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829581683 DDGRMMSVZFCPRR-VWNXMTODSA-N 489.685 6.156 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829937657 LSYMCGFKMNLVAC-XMMPIXPASA-N 499.533 5.133 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c1 1830013071 PQYGXIIQFKSKPT-MUUNZHRXSA-N 492.623 5.476 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)ccc1F 1830361170 ZDLQQSGRRBGQPE-WXFGDYGBSA-N 493.667 5.466 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)cc1 1830629160 RNQREPIIXPDKJS-AREMUKBSSA-N 489.019 5.434 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)cc1 1830633768 UDTMXUJQPWHYOT-MHZLTWQESA-N 469.629 5.108 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)s1 1831141862 XNSPBAWJFKHJIM-HSZRJFAPSA-N 496.652 5.434 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)c1 1831226707 ZEHSVWKSYWFODL-OFVILXPXSA-N 494.010 5.314 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 1831378448 YQSOVODDEOJWHM-YCRPNKLZSA-N 483.397 5.173 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1)C(F)(F)F 1831453457 XLAOYGJWQGDYTI-QHCPKHFHSA-N 471.523 5.100 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1831840752 PJEUPEMSSVGHEM-RHSMWYFYSA-N 451.057 5.106 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1831848257 GLYREAKSAQGUAV-HSZRJFAPSA-N 467.997 5.032 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CSC2CCCC2)CC1)c1ccc(O)cc1 1831924942 OKZRPTFREZVNEV-SQHAQQRYSA-N 496.717 5.185 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1832632429 QELFXIXMKIDZPE-BLFHIAQRSA-N 489.582 5.465 30 20 JKED CCOc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633055 BPRFGPNNKWYRDR-JIPXPUAJSA-N 473.617 5.259 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1832633253 DZLWGXQBFZZNSV-BVZFJXPGSA-N 481.999 5.653 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC(F)(F)C3)CC2)cc1C#N 1832702911 OXGVLVFYBDIRGF-FYYLOGMGSA-N 487.591 5.014 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3Br)CC2)CCC1 1832721060 JTKPULUKPDECLN-IBGZPJMESA-N 492.845 5.030 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1833290495 CABKYRIJDLMDRO-UHFFFAOYSA-N 479.690 5.163 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)CC1 1838373764 JKYIZYIVUQCTHN-SANMLTNESA-N 452.639 5.191 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3cc(-c4ccccc4)ccc13)C2 1841056701 CHAKVFRYDYSBOW-UHFFFAOYSA-N 456.590 5.039 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(Br)cc(C(C)C)c1)C2 1844203722 GMDRRNAYQVXLRK-NRFANRHFSA-N 459.428 5.158 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Br)c2ccccc12 1847531263 CZAXNZMGXOVNGK-GOTSBHOMSA-N 467.407 5.186 30 20 JKED CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2sc(C)c(C)c2c1=O 9357682 SGAKDCSMWPFCEV-UHFFFAOYSA-N 472.661 5.028 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccc(OC)cc1 10406064 MHUOQVTWZBYINW-QHCPKHFHSA-N 476.627 5.199 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159320 QCNNDTQRWIJLAR-UHFFFAOYSA-O 466.360 6.172 30 20 JKED CC[C@H](C)n1c(SCc2ccccc2C#N)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 11416498 OBTMDMKXWMIGRL-SFHVURJKSA-N 483.663 5.111 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc(N(C)C)cc2)cc1 14872562 GHXNWMDUFPSIPE-UHFFFAOYSA-O 488.555 5.552 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O 15231780 WDCPBJPWOVNWQH-JOCHJYFZSA-N 495.988 5.176 30 20 JKED O=C(C[C@H]1S/C(=N\c2cccc(Br)c2)NC1=O)Nc1cc(Cl)cc(Cl)c1 16938638 KCJHQMWDUJXLCR-CQSZACIVSA-N 473.179 5.004 30 20 JKED C=CCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nnc1-c1ccc(C(C)(C)C)cc1 19309192 WKUXHIOYQHEQQO-UHFFFAOYSA-N 466.010 5.382 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCCC3 20047539 GDKBNURLBISLBD-CQSZACIVSA-N 450.589 5.426 30 20 JKED CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 21881333 CZVUDCQRAQLFLX-SFHVURJKSA-N 487.581 5.035 30 20 JKED COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3OC)sc2C)cc1 22295844 IKTUGUAZKCXZIC-QGZVFWFLSA-N 478.570 5.233 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 22733057 BDQFCYAQWKZPFP-UHFFFAOYSA-O 480.387 6.563 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@H]1COc2ccccc2O1 23592309 DWICFFHZEXGQMS-IFXJQAMLSA-N 490.507 5.115 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)c(C)[nH]1 23603869 YWCVVDQFADQOPC-UHFFFAOYSA-O 458.563 5.468 30 20 JKED Cc1c(C#N)c(SCc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)nc2c1CCC2 25618878 JPCDYDGICBINGT-UHFFFAOYSA-N 465.003 5.661 30 20 JKED CC(=O)N(c1nc(COC(=O)c2c(C)oc(-n3cccc3)c2C#N)cs1)c1ccc(C)cc1C 26196774 AVZCSLAEWGKLIZ-UHFFFAOYSA-N 474.542 5.365 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 27391092 ZEGPMWYLIVNPIE-UHFFFAOYSA-N 460.584 5.005 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc12 32785759 FJUVLWWINVUYFO-WOJBJXKFSA-N 456.615 5.566 30 20 JKED CCN(CC)C(=O)COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl 69584687 OKLGHUGJHYNPGK-UHFFFAOYSA-N 494.016 5.862 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)NC3CCCCC3)cc12 195600183 MGBGOSUFAXLGCJ-MRXNPFEDSA-N 489.428 5.533 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc3ncsc3c2)c1 479244789 LQCSTZJFPBWBIT-UHFFFAOYSA-N 484.002 5.583 30 20 JKED COc1ccc([C@@H](NCC(=O)Nc2ccccc2SCC#N)c2ccccc2)cc1Br 488086691 VOBQOHFWCLMWFD-DEOSSOPVSA-N 496.430 5.391 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)n2)cc1 497942761 BOMRHDVPLIVMAG-OAQYLSRUSA-N 450.585 5.325 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1 498310576 LZEHOGHKMQEPAQ-VWLOTQADSA-N 458.539 5.030 30 20 JKED C=CCn1c(SCc2ccc(OCc3cccnc3)cc2)nnc1[C@H]1COc2ccccc2O1 499348813 IUWQGZOOZMVPOW-XMMPIXPASA-N 472.570 5.243 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccnc(OC3CCCCC3)c2)cc1C 500031099 RPRZGUSLFPMMCW-UHFFFAOYSA-N 457.578 5.117 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1[N+](=O)[O-] 500105636 ABKIHMXGVPXZOF-UHFFFAOYSA-N 488.529 5.120 30 20 JKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 501521526 NONASPCVJUBHOJ-OAHLLOKOSA-N 477.417 5.574 30 20 JKED C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1 502208711 KSDSQHDUZCTVRV-GFCCVEGCSA-N 475.364 5.462 30 20 JKED N#Cc1cn(Cc2ccc(Br)cc2Cl)c2ccc(Br)cc2c1=O 502843767 QXVMSPYXWRQUGN-UHFFFAOYSA-N 452.533 5.100 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)n(Cc3ccccn3)c2C)cc1 505649269 XRILYTWESFRREV-UHFFFAOYSA-N 452.514 5.473 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 506454398 KMTKJKAPAVFQFB-UHFFFAOYSA-N 496.498 5.240 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1Cl 510060094 WZXGJUGTQQUHCI-OAQYLSRUSA-N 494.929 5.264 30 20 JKED C[C@H]1CCCN(Cc2ccc(CNC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2)C1 510251369 FBSFMYLBOTUSMD-SFHVURJKSA-N 492.674 5.256 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2ccccc2)c2nccs2)cc1 510598997 OXFDAKYREWPGEF-DEOSSOPVSA-N 456.546 5.655 30 20 JKED CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 512191914 BKOYJPBTTCDVPK-JOCHJYFZSA-N 452.986 5.108 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1ccc(C(F)(F)F)cn1 513138997 YAQQCUCYUCGTJE-KRWDZBQOSA-N 489.295 5.417 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)c2)c1 513987030 HJJXRZOCGLTAMX-UHFFFAOYSA-N 499.958 6.017 30 20 JKED C=CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(-c2ccccc2)cs1 514486999 DTJSPFHYWMQJTI-UHFFFAOYSA-N 472.536 5.660 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1ccccc1F 514586821 YRKPGHWVXNJBDD-HNNXBMFYSA-N 489.601 6.501 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1Cl 515897674 SHNDILORPRUPDK-XTEPFMGCSA-N 493.994 6.034 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)n1 516352721 ZKDNZPFGYFRAKP-LJQANCHMSA-N 475.526 5.147 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 516790817 XLOXVZHQIDRQAC-UHFFFAOYSA-N 496.498 5.240 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C2CC2)o1 517465678 BGMRXWVXEPSZOS-KDOFPFPSSA-N 491.535 5.557 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1C 517472891 DVAHRKVQLSIACP-GOSISDBHSA-N 481.666 5.087 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)n2)cc1 517800803 JRVHKKUKGPNANC-HNNXBMFYSA-N 484.364 6.579 30 20 JKED Cc1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1NC(=O)c1ccccc1F 518175138 SMOJSFYCGIHBIB-KRWDZBQOSA-N 463.921 6.140 30 20 JKED COc1ccc(CN[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1OCCCC#N 518275202 JQEOWSXKQIICMP-RUZDIDTESA-N 455.385 6.564 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 520406118 BVIRUVZAKRQIEW-HSZRJFAPSA-N 493.426 5.827 30 20 JKED COc1ccc(Sc2ccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)cc2Cl)cc1 521366214 IVVBFYRBEXIFPN-UHFFFAOYSA-N 479.993 5.121 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)cc1 521715948 CRALHLHRLXMWSV-UHFFFAOYSA-N 482.561 5.363 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 521746144 BNRQQDWNLZFOQH-SFHVURJKSA-N 450.608 5.779 30 20 JKED Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 524115005 QWFNLWWBGMAWFV-UHFFFAOYSA-N 459.571 5.065 30 20 JKED COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)cc1 556504779 QVCKAJXMKCBYRI-OAQYLSRUSA-N 461.949 5.821 30 20 JKED O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593039764 PSDFTNYSPASBOB-RKDXNWHRSA-N 494.745 5.142 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)n2)cc1 594363572 ZGJMHRFYDOHXCI-HSZRJFAPSA-N 483.574 5.146 30 20 JKED N#Cc1cccc(OCc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@H]3CN(Cc5ccccc5)C[C@@H]43)c2)c1 594660152 JGKXMYQLOCBDNA-ZRJFKUPHSA-N 477.608 5.120 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)cc1 595471189 FBOGNDOTRYLBLQ-XMMPIXPASA-N 481.379 6.089 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccccc2OC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 596346800 YKLUSIOPKFDUEZ-LJQANCHMSA-N 470.533 5.244 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nnn(-c4cccc5ncccc45)c3C)n2)cc1 596533611 URBMQIANLVVOPE-LJQANCHMSA-N 450.527 5.046 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 603564429 JAICVLOKVPOFDA-IBGZPJMESA-N 471.369 5.232 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 603669455 NBLSIQFCKOHMGC-UHFFFAOYSA-N 474.995 5.162 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 603991773 QQCDQLCDZVQRKT-UHFFFAOYSA-N 459.512 5.099 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCc3cscn3)cc2Cl)cc1 604027154 JYJPJOXXZBRURE-UHFFFAOYSA-N 477.998 7.005 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 604162460 PWAFXBBHOSQDFE-MHZLTWQESA-N 483.568 5.033 30 20 JKED N#CC1(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)CCCC1 604505865 OYXQIBKSMRASAA-UHFFFAOYSA-N 494.016 5.302 30 20 JKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604522922 XPVBDLYAFLNTBK-LNBJVWSJSA-N 474.004 6.627 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H](c4nc(-c5ccc(Cl)cc5)no4)C3)o2)cc1 609072473 SWHSJOINEIUYKU-IBGZPJMESA-N 488.931 5.453 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609080707 SUWFEPNOBWAPQN-DEOSSOPVSA-N 491.975 6.177 30 20 JKED COc1cc(C(=O)N(C)c2ccc(C#N)cc2F)ccc1OCc1ccc(Br)cc1 609217744 QUXBHPHTISVRKP-UHFFFAOYSA-N 469.310 5.324 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(C)cc2)cc1 609438284 AZJKDVWUTCHSHS-DFBJGRDBSA-N 473.598 5.242 30 20 JKED C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1[C@H]1COc2ccccc2O1 613907637 JUFNFEBYRZAJFJ-UQBPGWFLSA-N 498.608 6.082 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 614072954 LPGDTNQAIRANDH-AREMUKBSSA-N 480.637 5.321 30 20 JKED O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618538036 IPYYDWNKXGXFKE-QWRGUYRKSA-N 473.389 5.607 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccccc2-c2ccccc2)cc1 725763295 JCCPVVDXETUVOI-UHFFFAOYSA-O 494.640 6.297 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 725970024 QHVASNDYHSERNM-UHFFFAOYSA-N 479.867 5.078 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCC(C)C)cn1 726116724 JRYRQYMSPLDMRR-KRWDZBQOSA-N 482.437 5.216 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726407245 PZJDWWCZQTWALB-ZHRRBRCNSA-N 492.988 5.396 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(F)(F)F)c1 726412071 MGCCOACUTOXRGG-QGZVFWFLSA-N 499.436 5.209 30 20 JKED Cc1ccc([C@H](NC(=O)COC(=O)c2occc2COc2cccc(C#N)c2)c2cccs2)cc1 726691531 GKBWDHPXEOYDBG-VWLOTQADSA-N 486.549 5.163 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)cs1 727267836 SQAIDDMHPVGERH-RAXLEYEMSA-N 477.586 6.603 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cs1 727655301 VGAKBNKNCZIKRX-RAXLEYEMSA-N 494.041 7.118 30 20 JKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(Cl)c1 728109655 BXVANGNGMGYAST-INIZCTEOSA-N 452.894 5.185 30 20 JKED COc1cc(-c2noc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)ccc1OC(F)F 728200395 BKJJFISKYAWBOP-UHFFFAOYSA-N 496.445 5.548 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c1C 728422636 DMCZSACNLXGXJJ-NTKDMRAZSA-N 483.597 5.292 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 728424684 GOTSZVDZNLHPRT-KOSHJBKYSA-N 483.597 5.237 30 20 JKED N#Cc1ccc(SCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)cc1 728459589 ASRYPVSUCGMKTD-UHFFFAOYSA-N 453.907 5.430 30 20 JKED N#CCCN(CC1CC1)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 728870688 XWWYJGQWHYRBEJ-UHFFFAOYSA-N 486.808 5.213 30 20 JKED N#CCn1c(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc2ccccc21 729304719 HSQSCZRDHWKENT-UHFFFAOYSA-N 474.860 5.198 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ncccc3C)C2=O)c1 729632122 YBBXRXQSGJUBPY-VWLOTQADSA-N 486.641 5.784 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2CC)N(C[C@H]2CCCO2)C1=O 730525445 QREFBEQGGINPTG-HYBUGGRVSA-N 495.645 5.177 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1 730716731 XCLVWZPIFSVPBN-GOSISDBHSA-N 493.347 5.281 30 20 JKED C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2Cl)C1 730993555 BAPSLLASNXSVFO-DLBZAZTESA-N 492.066 5.265 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731065432 GSKUHYPJKCINID-INIZCTEOSA-N 497.020 5.391 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 731067582 ASTQBEMGPPWEKE-HNNXBMFYSA-N 464.568 5.355 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731305495 DOGHNGVRGQRBJI-BJKOFHAPSA-N 471.582 5.348 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)c1 731312008 HJGDBJWWDLPWOE-HXUWFJFHSA-N 483.590 5.370 30 20 JKED COc1cc([C@@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)cc(OC)c1OC 732037859 FCRNOUOIIPFTGR-QHCPKHFHSA-N 496.560 5.180 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(-c3ccccc3)c2)cs1 746347177 YCTOBECKIRBXNY-QINSGFPZSA-N 458.970 7.044 30 20 JKED N#CC1CCN(Cn2nc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)oc2=S)CC1 747080379 UIIRBNQPQYPPCR-UHFFFAOYSA-N 461.978 5.934 30 20 JKED COc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cc1OCCCC#N 747361478 PIOOHLSJFOCKFF-RGEXLXHISA-N 492.000 6.800 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1cscn1 747602690 MBHWKHZOYDFGER-QFIPXVFZSA-N 492.626 5.069 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(-c2ccccc2OC)n(C)c1=S 749246879 WEUCCMKRODPIDU-UHFFFAOYSA-N 477.403 5.174 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O 799217107 IWJJOKAWBYFDNS-KRWDZBQOSA-N 485.915 5.180 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(Cl)c1 799220591 FGNZEAHAQJTTNC-INIZCTEOSA-N 466.788 5.083 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837367150 GNYGWBUFOKLNJC-DVECYGJZSA-N 472.614 5.927 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2cccc(C)c2)cn1 837398024 FQAMQWLPVTZUEJ-HSZRJFAPSA-N 488.613 5.176 30 20 JKED COc1ccc(Cl)cc1NC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1cccc(C#N)c1 840198268 CGMBAPMKHPIJHL-QHCPKHFHSA-N 492.988 5.461 30 20 JKED C=CCOc1c(Br)cc(CNc2ccc([C@@H](O)C(F)(F)F)cc2)cc1OCC 864043067 GCMKFIXYTLJHRK-LJQANCHMSA-N 460.290 5.620 30 20 JKED COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)NCc2cccc(C#N)c2)cc1OC 914485543 RQEDXEBZETUHRD-CIAFOILYSA-N 494.494 5.042 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 914521198 WTZIJGFSEYOUMP-HHHXNRCGSA-N 453.517 5.503 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 915085553 CLAASHTVGFMWHX-JOCHJYFZSA-N 498.936 6.264 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)SCc3nc(O)c4c(C)c(C)sc4n3)n2)cc1 915101117 DAPBVBSENTXNFC-RDJZCZTQSA-N 494.667 5.944 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915101660 JYNGBILGKZOIOI-LJQANCHMSA-N 485.943 5.470 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2ccccc2n1C(F)F 915104388 PMZPVKGPRFTSBN-HNNXBMFYSA-N 476.430 5.993 30 20 JKED C[C@H](OC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)C(=O)N(CCC#N)c1ccccc1 915578899 VGGNYBONFRSZFY-KRWDZBQOSA-N 474.561 5.181 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)c1C 916208332 ZKHRWNOWADZWKJ-HSZRJFAPSA-N 476.577 5.041 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccc3)C2=O)c1 916209361 KFFJAIRIVMHZLE-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1csc(-c2cccc(Br)c2)n1 916276572 BWULUCPSJQPVRG-UHFFFAOYSA-N 476.812 5.655 30 20 JKED COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)ccc2c1 916846860 GTJTTYCNXXMMPJ-RVPHRTOXSA-N 455.539 5.327 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 916901961 AFNXLJZFUWGVMB-XMMPIXPASA-N 478.552 5.798 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C 916904207 YHJNDFMFPWABOR-IBGZPJMESA-N 451.979 5.858 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1 916911121 ZFVXXSMRDKCSCF-OAQYLSRUSA-N 463.628 5.830 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1Cl 916936819 ACOBXXBAFWMNGQ-KRWDZBQOSA-N 499.379 5.672 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nc(C)nc4sc(C)c(C)c34)n2)cc1 916974160 FMCFYRMZNGDCIB-KRWDZBQOSA-N 464.641 6.017 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)cc1 917045119 VWVKASJZYCNOHL-INIZCTEOSA-N 457.502 6.166 30 20 JKED O=C(Nc1cc(F)ccc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccoc1 917100207 CDSMUHAXLNCVAU-IMRBUKKESA-N 466.353 5.310 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 917506968 LGEFVJDFVFTROB-NRFANRHFSA-N 495.000 5.959 30 20 JKED C=C(Cl)COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917560374 MNHBHWUAGDDITG-JYRVWZFOSA-N 452.963 6.164 30 20 JKED COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4C#N)C3=O)o2)c([N+](=O)[O-])c1 917644983 PRMKUYCSPSPXOT-JAIQZWGSSA-N 463.496 5.141 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cc3ccccc3o2)C1=O 917679525 NNXJPUBGLMJWKP-SFHVURJKSA-N 462.358 5.007 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C)s1 917695210 WUQZIOOQKZEOBN-NRFANRHFSA-N 483.590 5.365 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1ccc(C2SCCCS2)cc1 917714246 ZCKSHXLJIHTFRX-UHFFFAOYSA-N 452.626 6.173 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 918487492 UXPUTTFCHASYAZ-DNVCBOLYSA-N 472.010 5.115 30 20 JKED C=CCOc1ccc(/C=C\C(=O)OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1OC 918820656 FDWZTGKBVPDNDB-KUKSINHOSA-N 489.593 5.052 30 20 JKED C[C@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 919207432 BSFLUCRYJNODIW-NSHDSACASA-N 457.766 5.322 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)n2)cc1 920143297 VLEMYMIOVOVYMP-MRXNPFEDSA-N 499.602 5.058 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 920341634 CFHQDIVZIXDRTR-PMACEKPBSA-N 470.356 5.210 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2Cl)no1 920355070 HWQBFLUIHPNRAD-IBGZPJMESA-N 489.384 5.450 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1csc(-c2ccsc2)n1 920369874 BEOGIPJQWWWJNB-UHFFFAOYSA-N 468.416 5.520 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1=S 920486846 QPOOUZUNHGZTRX-QGZVFWFLSA-N 478.062 5.115 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2sc3ccccc3c2Cl)C1 1778577217 FHEJXOUBSYVGLT-QFQXNSOFSA-N 487.065 5.451 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)CCC3)cc2)C1 1785807592 XUFJRPISBSDDCW-AYRHNUGRSA-N 455.602 5.465 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c([N+](=O)[O-])c4)CCC3)cc2)C1 1785810456 TWXCHCPZDBBUTF-UHFFFAOYSA-N 484.350 5.071 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)c1 1786040895 VCWZRAHJLMFMIQ-UHFFFAOYSA-N 474.564 5.487 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccs4)on3)CCC2)cc1 1786678252 MQBDVDKVVGQDLQ-UHFFFAOYSA-N 453.589 5.070 30 20 JKED O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1 1787877262 WXOGRJATXXVBKV-UHFFFAOYSA-N 462.365 5.545 30 20 JKED CCSc1cccnc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650051 SLWVTOLVKUMWBB-OUKQBFOZSA-N 491.638 5.442 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4[nH]ncc34)cc2)CCC1 1789342557 WPJANTQDLLUAQG-UHFFFAOYSA-N 493.405 5.267 30 20 JKED Cc1ccc(OCCC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)cc1 1790256431 KTEOVVPBSMTCEL-UHFFFAOYSA-N 453.542 5.084 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)cc1 1790290569 ZVCPZZFYLGXVHW-UHFFFAOYSA-N 462.509 5.275 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccc(C)cc4s3)CCC2)cc1 1790564707 ABDFLIMZXMTQAR-QGZVFWFLSA-N 464.591 5.153 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cnc5c(Cl)cccn45)CCC3)cc2)c1 1790762515 GFTSELAMEXGEFQ-UHFFFAOYSA-N 487.922 5.060 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5c(O)cccc45)CCC3)cc2)c1 1790766627 AHASYPIMFXXZOZ-UHFFFAOYSA-N 480.499 5.013 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5Cl)cc4)CCC3)c2n1 1790767998 WHDBGQABAHAIQD-UHFFFAOYSA-N 499.958 5.158 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)c(OCC)c3F)cc2)CCC1 1790778293 VOWSSHVBVZYNEP-UHFFFAOYSA-N 478.536 5.170 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4C4CC4)CCC3)cc2)cc(C(F)(F)F)c1 1790785352 JAMQEWNYIBAHRB-FGZHOGPDSA-N 467.491 5.371 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)C(=O)CC5)CCC3)cc2)c1 1790796598 WHUGUXAQLBOFJS-UHFFFAOYSA-N 463.537 5.057 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc4cc(Br)cnc34)cc2)CCC1 1790964293 RZQVJEQITKSSHT-UHFFFAOYSA-N 477.362 5.049 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C(F)(F)F)c3)CCC2)cc1 1791252285 MAVPZGQCHXNSLU-QGZVFWFLSA-N 459.512 5.379 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)cc2)CCC1 1791480548 HTGQAUBKUWIHGN-GKCIPKSASA-N 473.436 5.005 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1)c1ccc(O)cc1 1791645492 HHUVXRVNNZWTFI-JOCHJYFZSA-N 470.569 5.167 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)nc5ccccc45)CCC3)cc2)CCC1 1792230501 VKIMGKOHCNHCJQ-UHFFFAOYSA-N 458.949 5.330 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3)CCC2)cc1 1792337499 ULGBYIINLGLPLL-WHLCRQNOSA-N 493.579 5.043 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c(Cl)c1 1800690371 DCXOAZXQIDTCKU-ACDBMABISA-N 494.378 5.691 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2)c1ccc(O)cc1 1802416827 HDOCZOFXXVITPQ-UVUJQTEASA-N 490.987 5.241 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)COc2ccccc2C#N)cc1 1804125371 ATBZQRXZDZZQEZ-AORQLJSESA-N 485.628 5.021 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1804163959 NKBKWFJFQCTEEG-VAVYLYDRSA-N 483.612 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1805679518 ZUOFOJLXHLUKNI-XUZZJYLKSA-N 465.638 5.593 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CC2)C1 1806064065 YXZJZOCIQJLVMN-XMMPIXPASA-N 490.673 5.029 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)C1 1806678586 FSACXEGACDZXJT-UHFFFAOYSA-N 479.671 5.214 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807842982 GWJHAQUDLWNYME-WWPJHQMMSA-N 494.639 5.540 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1809213721 BOGAMHWTKSQJDD-NEKDWFFYSA-N 498.671 5.613 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1810181948 MWMZYRNYXCXADP-LNEBKTTKSA-N 478.036 5.239 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1810495061 NPHYNVMVRKVMHZ-LSYYVWMOSA-N 496.655 5.764 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810925361 RTVUHSFPABRILM-XXBNENTESA-N 489.513 5.328 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302954 MHTUDXCLKLKGFU-JWZKTCGFSA-N 493.607 6.069 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1 1813220588 LVXLIKRQMCNILO-RPLLCQBOSA-N 491.701 5.217 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(Cc3cccc(F)c3)c2)[C@H]1c1cccnc1 1814008764 JEPQJXVBGLHBPV-POURPWNDSA-N 497.614 5.325 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cccc(Cc4cccc(F)c4)c3)[C@@H]2c2cccnc2)C1 1814010405 MPBKJQPUOJZUBQ-NAKRPHOHSA-N 483.587 5.097 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1814101605 OMBCFUCEDFOCMG-ZZKVGJHZSA-N 478.036 5.128 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1)c1ccccc1 1814739026 LOLBVCMLZLVUDK-UKILVPOCSA-N 469.589 5.100 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[nH]n1 1814826912 KKCJMHNCVKGADF-JZEPBHRJSA-N 487.648 5.548 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1815118698 RHUBXBXAGMGCFP-XMMPIXPASA-N 477.568 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)[nH]n1 1819555892 IJFDYOWDAZEWRK-QFIPXVFZSA-N 494.636 5.505 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(Cl)cncc1Cl)CC2 1820094962 ZSRYGYBLVHOSBI-LBPRGKRZSA-N 467.422 5.063 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Br)c2F)n[nH]1 1821057374 XSLFYGMZHUYGTP-DNVCBOLYSA-N 489.389 5.386 30 20 JKED CCOc1ccc(Cl)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1821154058 KNXPMQDOLFHGSM-JOCHJYFZSA-N 491.979 5.148 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1821271999 UHOCBFAQGXGGBJ-XMMPIXPASA-N 467.504 5.193 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)c(C(F)(F)F)c2)n[nH]1 1821861301 OKTKKFHUQKDCMN-IFXJQAMLSA-N 466.479 5.015 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[nH]n1 1821919700 BNMNNOSPYWELQJ-UUOWRZLLSA-N 482.588 5.471 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)n[nH]2)c(Cl)c1 1822330944 ZOKIUSVMVLXJSJ-ZRCGQRJVSA-N 473.964 5.044 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1822400503 NVTIEBFWVSMRFR-DYESRHJHSA-N 465.985 5.233 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1822580838 BTINKSHTDWGHEE-HSZRJFAPSA-N 473.552 5.110 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccoc34)[nH]n2)c1 1823216349 HNOCLOHAVOHGNQ-GAJHUEQPSA-N 467.529 5.403 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)[nH]n2)c1 1823218701 UTFURQOEKWGINR-KSFYIVLOSA-N 461.953 5.310 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OCC4CC4)cc3)n[nH]2)c1 1823272792 GINRBCVYUFOMCU-SIBVEZHUSA-N 497.599 5.445 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)CC3)c[nH]2)cc1 1823809983 BYAHCHYWBVIUNF-LJAQVGFWSA-N 494.639 5.338 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2F)CC1 1824142263 KGYDWALMTMZMLD-SANMLTNESA-N 470.629 5.155 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1824541520 DKAGMXBSFZGBHR-GOTSBHOMSA-N 474.070 5.076 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1824960553 GNOHYZQSATXVFZ-AREMUKBSSA-N 494.701 5.536 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)CC1 1826371142 NWAGRWNSJIEQNQ-IZZNHLLZSA-N 452.639 5.016 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1)C(F)(F)F 1827779668 WHWRZZLOFILWHU-IBGZPJMESA-N 493.492 5.440 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828167193 ZQGGFNLRLKOFKZ-FDDCHVKYSA-N 454.014 5.334 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1828889289 LBMVATKSSSVZLI-SFTDATJTSA-N 481.464 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(Br)n2)CC1 1829066607 MCPCOWOSSJEWTL-SFHVURJKSA-N 482.488 5.131 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3SCc3ccccc3)CC2)C1 1829490859 ABIGMDXQLILSGH-AREMUKBSSA-N 489.685 5.573 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829580959 IJRVOVGLPJCAAK-OAQYLSRUSA-N 481.687 5.307 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c1Cl 1829693210 XFMSTTMHZGCCDE-AHKKLNPASA-N 468.041 5.415 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1 1830003558 JXYPWBQMEVNHIF-RPBOFIJWSA-N 497.680 5.006 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830015995 ZKSJMTPHTMCNFM-XMSQKQJNSA-N 467.660 5.034 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(C)=O)CC1 1830391555 KNGTWPGHTJTJTE-ZEQRLZLVSA-N 479.706 5.270 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)cc1 1830628883 OHJMVFIRJSPPNB-AREMUKBSSA-N 490.554 5.059 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCCC3)CC2)cc(C(F)(F)F)c1 1830754998 LBOVPNUJYVAFFX-JOCHJYFZSA-N 461.528 5.001 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1831374612 RHEDHCCEPKRVMK-DBVZYWDVSA-N 463.622 5.022 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1831589782 JRYNMYFJZKNFFO-ZEWVGQQJSA-N 492.019 5.167 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1832043256 NCRCZHIBTZSWGY-VWLOTQADSA-N 496.076 5.410 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc(C)c1O 1832582817 KPPFBFFGSNARDZ-HFZDXXHNSA-N 473.617 5.183 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1ccc(Cl)cc1 1832781035 PYGQTVLDPXLGBY-ZEQRLZLVSA-N 470.057 5.393 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CC2)CC1 1838678682 SHNMXCUUUUJUTA-UHFFFAOYSA-N 468.682 5.470 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1Cl)N1CCCC12CN(C(=O)C1(C(F)(F)F)CCC1)C2 1844696650 JSFTYCCSWXGQIZ-UHFFFAOYSA-N 486.815 5.048 30 20 JKED CC(C)Cn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl 9847559 VMXLNKOMUNAAKB-HXUWFJFHSA-N 454.427 5.054 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(OCC)cc2)cc1 10173836 MXGMBALTRVUWTB-UHFFFAOYSA-O 455.550 5.654 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)n(-c2ccccc2)c1C 10376883 OABHTVJQTCPCNJ-UHFFFAOYSA-N 488.642 5.275 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1C 12207859 SAMOQUBLENLKSH-UHFFFAOYSA-N 460.603 5.167 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C(C)C)c1 14909762 KXFBUIRCSSPERC-UHFFFAOYSA-N 499.032 6.106 30 20 JKED C=CCN(C(=O)c1ccc(CS(C)(=O)=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18085201 MUXJAKWDIMOTPB-UHFFFAOYSA-N 481.426 5.494 30 20 JKED C[C@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 18438070 PEURJZMROBAKMN-MSOLQXFVSA-N 495.052 5.459 30 20 JKED C=CCn1c(SCC(=O)N(CC)Cc2ccccc2)nnc1-c1ccc(Br)cc1 22034033 GXVUBIYNZMMVMR-UHFFFAOYSA-N 471.424 5.034 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(OC)cc1 23998122 RMEBFJZZLLAYLQ-KRWDZBQOSA-N 450.608 5.384 30 20 JKED C[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 26979384 CUIIEUROKGFPCN-HNNXBMFYSA-N 491.667 5.461 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)c1C 28695797 WIHJDWDXXSVOGZ-UHFFFAOYSA-O 490.527 5.165 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)cc1 29205307 UGZNEOMKEIEEAK-UHFFFAOYSA-N 498.992 5.009 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccnc2)ccc1Cl 29297587 CWVPQDFOGASYNX-HSZRJFAPSA-N 482.005 5.094 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3ccccc3COc3ccccc3)n2)n[nH]c1=S 30689315 DLVYSKWQNISGCH-UHFFFAOYSA-N 463.588 5.005 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 33098180 CNYYIQGCORHLKH-QUCCMNQESA-N 461.027 5.372 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2F)c1 36832502 KXUQEIJDRGBWCS-UHFFFAOYSA-N 479.360 5.766 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 72074632 UKDOVHVYBSRZFI-INIZCTEOSA-N 480.362 5.869 30 20 JKED Cc1csc(Sc2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc2[N+](=O)[O-])n1 108732058 HVIBQGZTJULPJZ-UHFFFAOYSA-N 492.504 5.587 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 109633799 OMDCEHSVZIDIBW-UHFFFAOYSA-N 486.269 5.715 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCc1ccc(Cl)cc1 195662502 ONKVICIGBFPIBN-HXUWFJFHSA-N 475.957 5.936 30 20 JKED COc1cc([C@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OCCC(C)C 409523337 SZAWHDQSBRTJQQ-FQEVSTJZSA-N 492.620 5.113 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)cc2Cl)cc1 409801059 XFZSUSFIVLDSOW-DEOSSOPVSA-N 490.947 5.443 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)c2)cc1 485989675 LMZVEVCSQXJRKP-UHFFFAOYSA-N 468.557 5.214 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3nc(NC(C)=O)sc3c2)nnc1-c1ccc(Cl)cc1 488558275 XBFHKZUWUXAFGE-UHFFFAOYSA-N 499.021 5.083 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)c2C#N)C1 500367758 CGQWYEBGGDZFEP-AWEZNQCLSA-N 470.595 5.691 30 20 JKED COc1ccc(Br)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 501451219 ODGSPUUZUBIBPJ-UHFFFAOYSA-N 451.320 5.355 30 20 JKED COc1ccc2c(c1)c(C(=O)N1CCC(C(=O)Nc3cccc(C#N)c3)CC1)c(C)n2C1CCCCC1 501748408 QVDOBSPYJJCKEW-UHFFFAOYSA-N 498.627 5.826 30 20 JKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 504003619 FTNRJKJKROSZNL-GOSISDBHSA-N 482.565 6.103 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)cc1 505624026 XTDTWADBJACFCZ-UHFFFAOYSA-N 475.570 5.228 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)cc1 505675244 GLJFBELQGIHFJH-INIZCTEOSA-N 461.543 5.437 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 506268442 JTPJLOXENHYISD-GOSISDBHSA-N 459.981 6.219 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(-c3cc(Cl)cc(Cl)c3)[nH]n2)CC1 508072613 SFUPLGWIIHDBJI-UHFFFAOYSA-N 497.342 5.358 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1 508247295 BVPVOLICIXQKSQ-DEOSSOPVSA-N 487.947 5.657 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 508253918 UOJNYBYSGRJCAJ-UHFFFAOYSA-N 480.568 6.083 30 20 JKED COc1cc(I)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1OC 508939727 BIODQUJHEIQEFJ-UHFFFAOYSA-N 490.322 5.161 30 20 JKED CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 509260606 SKTBSQXPJLGJRG-UHFFFAOYSA-N 451.621 5.782 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1Cl 510003687 ADDYWVKPHJSYEL-AOYPEHQESA-N 474.992 5.190 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511498067 HZYGQAJEMJDKGE-UHFFFAOYSA-N 496.354 5.220 30 20 JKED C[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 511554084 LKIRBFXKUZPGHR-KSFYIVLOSA-N 470.953 5.326 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OC1CCCC1 516305394 KTAJWGRDXZVUIS-LJQANCHMSA-N 499.567 5.496 30 20 JKED N#Cc1cccc(NC(=O)CNc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)c1 516819005 FQRHKEAFQAEJFC-UHFFFAOYSA-N 456.399 5.019 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 517430001 KSCNJLFHNWWUDR-UHFFFAOYSA-N 499.567 6.345 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 518676874 UYHJBKDUDWPPAP-XXBNENTESA-N 455.583 5.051 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1Cl 518881868 WERDMRSXHWEPOT-VWLOTQADSA-N 499.014 5.829 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 519885419 SSTSNCLALLTLAR-UHFFFAOYSA-N 494.389 5.393 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 520453411 UUNOMZBTYPOGAP-UHFFFAOYSA-N 478.468 5.288 30 20 JKED CCCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@@H]1CCc2ccccc21 520847106 WRBCVDDKWFIJRG-HXUWFJFHSA-N 475.536 5.576 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1C 521304957 SSIZCYVAYCHMQF-UHFFFAOYSA-N 495.558 5.402 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1cccc(Cl)c1Cl 522937452 BDEDMSCQRHHBCV-UHFFFAOYSA-N 460.130 5.048 30 20 JKED COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 523256146 VPPWLRPRDRTDHX-OAQYLSRUSA-N 478.017 5.521 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 523372530 XQOAPAGNYXOFSS-NRFANRHFSA-N 497.599 5.081 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1 523803241 CDNVBDHQEOPHOP-UHFFFAOYSA-N 459.418 5.767 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 524286001 BEVFDOPYZNOEML-UHFFFAOYSA-N 473.623 5.628 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCc4ccncc4)cc3)cc2F)c1 551827625 UDVBRTAPMZBSPM-UHFFFAOYSA-N 453.473 5.503 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)C2)c1 603783858 MZPNXROQZRVQQX-JOCHJYFZSA-N 468.557 5.162 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 603956144 HLVBJKNKBIYRPJ-UHFFFAOYSA-N 451.979 6.137 30 20 JKED Cc1cc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1Br 603983520 DIOBCAFERMPSNX-UHFFFAOYSA-N 471.376 5.203 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 604141648 VKTCKOIBKGOYGR-VGOFRKELSA-N 491.975 5.219 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1nc(C)cc1C 604500171 JNZUCBGPUJERDY-UHFFFAOYSA-N 471.483 5.060 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1 608803629 CQMXMKWKOCQPGD-UHFFFAOYSA-N 451.454 5.308 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 608851222 VTTIJECJHKCRBC-KRWDZBQOSA-N 473.916 5.852 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)c2)c1 608940127 WXZHKPNVPVCCJJ-CAVYSCNFSA-N 492.579 5.223 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)c2)cc1 609176963 XZMKFTINLKOTJO-JYFHCDHNSA-N 473.529 5.019 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc1 609413527 OFMRZSKHTFQISO-UHFFFAOYSA-N 460.559 5.836 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 609434636 DTLMOSKEJFICHF-ZBFHGGJFSA-N 471.051 7.049 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(OC)c1 610899214 JNXHXVPUCCNTGG-QFIPXVFZSA-N 489.597 5.175 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 613403213 BYIKDVDVWZMXNB-CQSZACIVSA-N 471.485 6.119 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCC2)nnc1[C@@H]1COc2ccccc2O1 613907146 AOISMXVGYOAJHU-UKILVPOCSA-N 490.629 5.116 30 20 JKED O=C(NCc1ccc(COCC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618499972 SGUVSHCTAGYGHZ-OKILXGFUSA-N 466.344 5.038 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622092887 KFGBILVGDUMOII-LERXQTSPSA-N 464.372 6.317 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 726322564 XQRJLVCSHMLQRO-GOSISDBHSA-N 483.286 5.605 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1F 726410154 GAMSTMKZPZGCNG-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccccn3)C2=O)cc1 726420533 IPJXAVBARMCTNF-DYGTUWESSA-N 494.642 5.132 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccnc(C)n3)C2=O)c1 726422347 VMNUTAIYCVAUBV-DYGTUWESSA-N 493.658 5.053 30 20 JKED C#Cc1cccc(NC(=S)NCc2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)c1 726464198 IHIIIGKGIIBPAG-UHFFFAOYSA-N 457.599 5.261 30 20 JKED COc1cc(Br)c(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726628135 YRXZDIVNLVIHDY-FMQZQXMHSA-N 495.807 5.397 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 727564472 ZDKFJXQIISAMKV-CYBMUJFWSA-N 486.018 5.850 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 727987199 GOQVQDIRWSSJKK-UHFFFAOYSA-N 451.454 5.469 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(C)=O 728411474 IBYYSGLBGHPFFM-WOJBJXKFSA-N 467.978 5.306 30 20 JKED Cc1nc(/C=C\c2ccc(O[C@H](C)C#N)cc2)sc1C(=O)/C=C/c1ccc(O[C@H](C)C#N)cc1 728698138 DVEHIZJWKSEKCN-IBBVAZLSSA-N 469.566 6.100 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N 728776185 MGFAFLHRXLTAPU-FQEVSTJZSA-N 469.010 5.611 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1C 728779348 YQTNTKCQFDYFRH-QFIPXVFZSA-N 483.037 5.919 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1scnc1C 729141946 GCRMTSXROJKPKS-LJQANCHMSA-N 482.606 5.368 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)cc1C 730441865 NICROYATSQZVBG-QHCPKHFHSA-N 494.592 5.250 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CCC1 730459405 ITVPXPCKMJZLGQ-LJQANCHMSA-N 472.408 5.270 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 731130883 VEVXYBODZTZGAK-IGKIAQTJSA-N 462.553 5.516 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731308319 YZRBFVAWBQFKIH-IIBYNOLFSA-N 465.600 5.045 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c1 731312156 IODOYXCDSMLHOP-AOMKIAJQSA-N 481.549 5.024 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 742302786 QLQPOVLMJPEMGU-UHFFFAOYSA-N 450.539 5.030 30 20 JKED C[C@H](OC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 743054721 LFNLVNKOQLHNHJ-QMMMGPOBSA-N 457.729 5.701 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744935845 GYIQNXRXJNEDJW-ZDUSSCGKSA-N 450.734 5.731 30 20 JKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)cc1OC 747434382 KFBSEBLHGQOAPA-RGEXLXHISA-N 479.540 5.101 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cscn3)C2=O)cc1 747602546 NUDXPZGUVGHRIS-OAQYLSRUSA-N 464.616 5.229 30 20 JKED C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)C(=O)Nc1ccccc1C#N 791761850 HXDRHWPSXQHQEH-KCGBVJQISA-N 479.561 5.839 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc1C 800935001 HRBHPOVJFRJOFI-UHFFFAOYSA-N 488.638 5.162 30 20 JKED C[C@@H](OC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)c1nnc(-c2cccc(Cl)c2)o1 809684465 CYBFZTSXNMYRGL-BZYZDCJZSA-N 465.815 5.365 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H]1CN=C(c2ccc(OC)cc2)S1 825131176 ULDZQNIXHVGLJH-FQEVSTJZSA-N 487.050 5.359 30 20 JKED COc1ccccc1/C=C(\C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 827607882 DWLBHNFSJGXONO-TTWQBBKJSA-N 472.516 5.253 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](C)c2ccccn2)C1=O 837551718 KHHCPPZLZJZXQD-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccc1F 838518607 CPFNRNYTDQFZLM-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)Cc3ccco3)C2=O)cc1 914694591 PBPHIXGLUHNZJC-HXOBKFHXSA-N 475.570 5.074 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CCC#N)Cc2cccnc2)c1=S 915796033 QPZFMMOYDQJVNY-BLKABHOGSA-N 478.691 5.908 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1cccc(OC)c1 916207131 VMMLIYAQLKHIHB-HXUWFJFHSA-N 475.998 5.036 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1 916214846 PRPJPLWVIXKQHJ-QGZVFWFLSA-N 464.374 5.125 30 20 JKED N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 916977466 RUBGJUNOWKQDMB-QGZVFWFLSA-N 452.004 6.662 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)[C@H]1c1ccc(OC)cc1 917039748 CPBRTXUUZNEQCN-MZLICYQSSA-N 494.542 5.396 30 20 JKED CC(=NOCc1nnc(-c2ccc(Br)o2)o1)c1ccc(-c2ccc(F)cc2)s1 917402832 GLGLUHAZBFXVGX-UHFFFAOYSA-N 462.300 5.901 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 917431084 YRSLMNUJXXGJAP-GOSISDBHSA-N 496.036 5.811 30 20 JKED COc1ccc(/C=C2\CC3(C/C(=C\c4ccc(OC)cc4)C2=O)C(=O)Nc2ccccc23)cc1 917518237 WNTSVQTXSCCRBM-YHARCJFQSA-N 451.522 5.424 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 917751972 PWBJVTFCVQRITL-AWEZNQCLSA-N 450.391 5.133 30 20 JKED Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 918257343 OZVHBUNXDRYQLX-UHFFFAOYSA-N 492.347 5.924 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)C2Cc3ccccc3C2)ccc1Cl 919830189 HLSPVQDVAOHSPY-UHFFFAOYSA-N 499.007 5.100 30 20 JKED CCOc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)cc1 920357153 VZRGDNHUDYNUJQ-DEOSSOPVSA-N 489.597 5.254 30 20 JKED COc1cc(C)cc2c1OC/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 920388704 CSMKEZOMJDZWPP-XNTDXEJSSA-N 454.935 5.457 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC(=O)CCc1c(C)nc(O)c(C#N)c1C 920841238 KMZLFWITQYCUHH-UHFFFAOYSA-N 497.473 5.393 30 20 JKED N#C[C@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 920877338 CTHIGOABLLKWRI-MRXNPFEDSA-N 469.513 5.694 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cnn(-c3ccc(F)cc3)c2C)cs1 920992002 XMAISTYALIVQAK-KPKJPENVSA-N 480.952 6.010 30 20 JKED N#Cc1ccc(CN(Cn2nc(-c3ccccc3)n(Cc3ccco3)c2=S)CC(F)(F)F)cc1 921188875 PWVLFNYAGCEPKG-UHFFFAOYSA-N 483.519 5.616 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nc3ccccc3c(=O)n2[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 921252125 MWHSFVQMHJWPDJ-IHMNZUQTSA-N 466.632 5.127 30 20 JKED CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(O)c2sccc2n1)SC 1496529161 VWICGFVZRLCSSA-UHFFFAOYSA-N 493.662 5.085 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4Cc5ccccc5CN4C)cc3)CCC2)c1 1786682509 JUOVJANDPSDGLZ-KMRXNPHXSA-N 492.623 5.118 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4)cc3)CCC2)c1 1789049275 JSOCKYKOCRWLGJ-UHFFFAOYSA-N 453.473 5.505 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1 1789508824 OEDTWPBQXDPEPO-UHFFFAOYSA-N 473.649 5.627 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccccc4F)CCC3)cc2)c1 1790076894 TVCLJHSPESHPNA-UHFFFAOYSA-N 471.532 5.086 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cc(C)ccc4n3)CCC2)cc1 1790568191 OGNRTLHHISYISK-IBGZPJMESA-N 458.562 5.092 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-n4cccn4)cc3Cl)cc2)CCC1 1790603342 MKGUWDDXRZINTB-UHFFFAOYSA-N 460.965 5.077 30 20 JKED COc1ccc(Cl)cc1CC(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790708702 OKSWFJVYLUXKMX-UHFFFAOYSA-N 487.987 5.405 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCc5cccc(Cl)c54)cc3)CCC2)c1 1791141495 MZLDZAINQPBWDE-HXUWFJFHSA-N 458.949 5.017 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CNc5ccccc54)CCC3)cc2)c1 1792122178 DVBHXGBONKIKEJ-DFBJGRDBSA-N 464.569 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c[nH]nc5c4)CCC3)cc2)c1 1792123657 NZLYTOMNVNERSQ-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204285 VTPNAFQNZVWUJU-JOCHJYFZSA-N 495.620 5.504 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cc(Br)ccc3c1)C2 1793053071 QYRATJZNGGKWNN-BKFWDETESA-N 481.434 5.623 30 20 JKED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1OCc1ccccc1)C2 1793613064 YTPHRFPFFUATFV-VKDGWMQASA-N 487.065 5.125 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(Cl)cc2)no1 1796488864 LUAURUIUDYOXFQ-WOZUAGRISA-N 453.970 5.015 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c2ccccc12 1797984388 VYBLPWPFKBZNTH-REPLKXPHSA-N 467.407 5.048 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)c(C(F)(F)F)c1 1799707194 HPKNBKCZUAFPDY-BJWYYQGGSA-N 488.403 5.429 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccccc3)cc2)c1 1800348116 UOTXMJHSORWYQD-KOUNCHBCSA-N 469.516 5.055 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1802996094 UQWDZIADJCMBSW-MKWBEGTNSA-N 471.645 5.337 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1803561430 HFSKQXUQOFSLMI-SVEHJYQDSA-N 499.611 5.176 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c[nH]c4cccc(Cl)c24)C3)c1 1803681350 UBPQPEJVLWKAFS-QLIIJSOBSA-N 460.965 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)c(Cl)c1 1803900463 ACWZWJZQIJSVQI-YYIAUSFCSA-N 455.813 5.667 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)C1 1804858677 YGKGUDGPLLRBJK-UHFFFAOYSA-N 465.613 5.658 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3NC(=O)OC(C)(C)C)CC2)C1 1805457695 LMUSKGDDXQSGFY-UHFFFAOYSA-N 495.664 5.647 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1809211576 DBSOBAGBPWKHEX-GIGWZHCTSA-N 496.655 5.389 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1810503531 PZDRXZWRNSTZLO-NLFFAJNJSA-N 491.035 5.595 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1811714184 ZEKHQMNUJWZNGF-XXBNENTESA-N 472.416 5.476 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1812260106 XBPHSBHKGXAUMS-HXAGEGRHSA-N 489.019 5.371 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1812932879 ATHKCJBAPKGZBW-AMGIVPHBSA-N 490.623 5.333 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1813757867 NAOPIWAPYMBRSK-CUBQBAPOSA-N 487.720 5.330 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3C3CC3)[C@H]2c2cccnc2)c1 1813869942 VCUSTIMTSPSBLK-PRRYLYCMSA-N 478.596 5.219 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813972029 AWVFRPLSDYJXGD-PXARDIRTSA-N 464.368 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1814066973 PPDKUWPENMPKCN-NMIHRBCNSA-N 479.587 5.449 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814935034 DNGDGIJWYQJGSW-WZAOVNSNSA-N 475.058 5.348 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)n[nH]2)cc1 1815536387 YUCOHSNFNZVOKS-RUCTVCJSSA-N 493.489 5.319 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)CC2 1819503239 RZVFVTZWFJRYJZ-RLFYNMQTSA-N 496.683 5.238 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)[nH]n1 1819553037 PMGHCQAYRTZVEN-SFHVURJKSA-N 477.531 5.051 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2c(C)cccc2C)n[nH]1 1819590437 RVFVHYFPNVBGCS-SFHVURJKSA-N 462.566 5.022 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1cc(F)cc(C(F)(F)F)c1 1821082058 PNOXBZFINHQELG-OAHLLOKOSA-N 492.395 5.216 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)[nH]n2)c1 1821324698 BEBQVAKYRYWDIX-AREMUKBSSA-N 490.567 5.272 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)[nH]n1 1821926702 VFRIWYJIGRJPKI-GMPUNJPXSA-N 471.399 5.090 30 20 JKED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(OCc3ccccc3)cc2)C(C)C)n[nH]1 1822254624 VJNHVDZYGQYBBO-NAKRPHOHSA-N 484.600 5.054 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)cc2Cl)n[nH]1 1822310218 VKSOFWNOTINNIE-CIRHMYPESA-N 468.985 5.243 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216404 TXWVZFYDMXZJRQ-HTAPYJJXSA-N 459.525 5.104 30 20 JKED CO[C@](C)(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1)c1cccc2ccccc12 1824532451 DGZUHMOSXSFKNZ-HFASVGIHSA-N 496.717 5.276 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824641381 NXSLWHODEZFJNF-LMHXZZLNSA-N 452.561 5.107 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)cn2)CC1)c1ccccc1 1825212951 PMFGQXOFLIFVAO-FQLXRVMXSA-N 485.672 5.140 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827353070 FITUXIBTEHNTHX-SANMLTNESA-N 475.608 5.315 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1828778869 JITJXJUVJTYABS-NMMYMHLASA-N 495.714 5.789 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1828822557 ZHUWSTQBEJHSQP-XNMGPUDCSA-N 474.645 5.607 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2OC)CC1 1828829499 IMIMEERPJHVFCW-NFBKMPQASA-N 459.030 5.350 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 1828829910 JYDXUEOHQBISMT-UODIDJSMSA-N 486.100 5.331 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1829673353 OWXPXXIKTATFKW-UZTOHYMASA-N 486.591 5.481 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)c(Br)c3)CC2)C1 1830142424 RQZQKBLDQKUPDL-HSZRJFAPSA-N 491.445 5.107 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)ON=C(C)C)CC1)c1ccccc1 1830412873 YBKOJEDOWVVJIA-RLBRRGQKSA-N 469.670 5.237 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)CC2)c1 1830537943 TXEONEYXPCALOM-JOCHJYFZSA-N 487.497 5.263 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-n4cccn4)cc3)CC2)c1 1830593471 DWJVDZGGKBYJIU-DFHRPNOPSA-N 495.627 5.046 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3NC(=O)OC(C)(C)C)CC2)C1 1830604909 AAUWNAVCNPREHZ-XMMPIXPASA-N 481.637 5.233 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)CC2)cc1 1830633074 FZUYZRGBQBLHJL-MHZLTWQESA-N 496.611 5.079 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c(Cl)c1 1830720498 PIUPHAKKOCODQK-NRFANRHFSA-N 490.456 5.403 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(O)nn3)cc2)CC1 1830796085 SZTQIHUEYJANFA-VWLOTQADSA-N 490.648 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 1832633596 LHOQKDJRIYALGP-BVZFJXPGSA-N 465.544 5.139 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)CC2)cc1 1832714884 SOHDFCIYLQYIFP-QHCPKHFHSA-N 488.390 5.551 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(CCCCC)s3)CC2)CC1 1835816487 IAXNPRNUPHZAPB-UHFFFAOYSA-N 488.742 5.053 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1 1845444096 DQZBJYNETULYDH-QFIPXVFZSA-N 463.581 5.420 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1C#N 10711544 IBKOOJUEUUINNL-VIFPVBQESA-N 484.792 5.697 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(CC)cc2)c1C 11083398 SACIDHDOQLMRHB-UHFFFAOYSA-O 482.601 5.157 30 20 JKED N#CCCN(C(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1cccc(Cl)c1 11495687 PIOQLUJGHPAICZ-UHFFFAOYSA-N 460.342 5.221 30 20 JKED COc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2cc(Cl)ccc2OC)cc1Cl 15240034 FQTRASRWFIGDDB-AWEZNQCLSA-N 488.400 5.794 30 20 JKED C=CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18085158 NMSYPRQXHJWBIV-UHFFFAOYSA-N 479.301 5.766 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 21849036 FMZKGXRDBVQROS-MRXNPFEDSA-N 469.998 5.054 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)o2)cc1 23617692 KFBNWIRRFFNWJN-MRXNPFEDSA-N 456.955 5.038 30 20 JKED C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28854207 PFFNHVPEWJFAMK-UHFFFAOYSA-N 482.558 5.145 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 107607830 QBDKLFUJASUZMA-WZDNOMKRSA-N 452.554 5.139 30 20 JKED COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1 109527506 ZQTOZEHGTDCDJY-WXNAFCGMSA-N 451.570 5.742 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2[C@@H](C)c2ccccc2)n(-c2ccc(F)cc2)c1C 117465034 XQFKCQWFOJMRIF-SFHVURJKSA-N 474.565 5.037 30 20 JKED Cc1cc(C)c(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c(C)c1 195556875 LYRCLBJVYSXPMK-AZUAARDMSA-N 463.990 5.618 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccccc1F 215715814 GLWUYZTZYHHYPZ-ZDUSSCGKSA-N 452.471 5.082 30 20 JKED N#CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)c1ccccc1 215739504 SULMFDLYBWEDNL-UHFFFAOYSA-N 461.500 5.456 30 20 JKED Cc1ccc(-c2nc(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)co2)cc1 303200548 XKFXVOLHXHSGCT-UHFFFAOYSA-N 453.567 5.787 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 480918163 SJBDIAAUWNYRMB-UHFFFAOYSA-N 459.571 5.095 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 485454774 WZZLZORUIRSTLE-GOSISDBHSA-N 495.501 5.509 30 20 JKED C=CCN(C(=O)c1sc(-c2ccccc2)nc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 500512355 WMFSZOJVEKQNES-UHFFFAOYSA-N 495.651 5.478 30 20 JKED Cc1nc(C(=O)Nc2ccccc2Oc2ccccc2NC(=O)c2ccc(C#N)c(C)n2)ccc1C#N 503420593 TZHMPEDWFQJVKK-UHFFFAOYSA-N 488.507 5.134 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2c(s1)CCCC2 508767066 BJPWOTOXEYNUMY-UHFFFAOYSA-N 463.550 5.926 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2n1C(F)F 510022162 BUPWHDUCDVWJQO-HNAYVOBHSA-N 479.918 6.623 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1Cl 510025413 DFUNFHULFYFXRA-HSZRJFAPSA-N 493.394 5.639 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 510211257 NOKSLNYEOITKQR-OAHLLOKOSA-N 480.619 5.008 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCc3cn4cccc(C)c4n3)n2)cc1 512498233 GONRTKBWOMGEIQ-HSZRJFAPSA-N 494.576 5.844 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1ccc(Br)cc1)c1ccc(C(F)(F)F)cn1 513142851 IOGFLQLHZGZXTG-GOSISDBHSA-N 475.264 5.932 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c1 513202226 UGKAAYDVLQNXDG-LJQANCHMSA-N 456.546 5.272 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)s2)cc1 514767213 PNURMIZUTMAMNR-JKSUJKDBSA-N 460.506 5.463 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2nc3ccccc3[nH]2)[C@H](C)CC)nnc1-c1ccc(Cl)cc1 515680053 AELLTXHWXRDVKL-ZHRRBRCNSA-N 495.052 5.657 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 517473587 QSJFTEJTBKSOLN-LJQANCHMSA-N 457.603 5.218 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1 518031642 QVOTWNOIEYVRTK-UHFFFAOYSA-N 461.631 5.105 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 518260588 NSOFVUUIKANSMM-OALUTQOASA-N 463.628 5.871 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 518752654 YCZSOWJQVWTEBL-HXUWFJFHSA-N 458.631 6.131 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1 518764229 BAPMZLKGOOLUTI-UHFFFAOYSA-N 471.557 5.358 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCC(=O)Nc1cccc(C#N)c1 518908599 CLZVTWWNHZLXMA-UHFFFAOYSA-N 452.436 5.188 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2)cc1 519051985 CTEUGIMJLAMBIT-UHFFFAOYSA-N 455.436 5.751 30 20 JKED CC(C)(C)c1nc(CN2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cs1 519958433 HMAVPLUXPVVIBZ-UHFFFAOYSA-N 490.698 5.563 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 520927991 DPZGQSQBIYLTQY-KRWDZBQOSA-N 483.590 5.582 30 20 JKED C=CCN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 523868280 YUUCXKRVRRIDOI-UHFFFAOYSA-N 484.509 5.953 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 524311529 TZGYJZJMDMIEMB-UHFFFAOYSA-N 456.477 5.817 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524386355 XWFQEXRAOJZQHB-XMMPIXPASA-N 489.959 5.043 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2C2CCC2)nnc1-c1ccc(Cl)cc1Cl 524497671 USLQOVUNQJYTSH-SFHVURJKSA-N 451.423 5.321 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)N1CCCCC1 554865843 SCWLYWAINLGXPZ-NRFANRHFSA-N 489.597 5.090 30 20 JKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 577013649 IRSLPGAYUVISIJ-QGZVFWFLSA-N 458.949 5.130 30 20 JKED CC1(C)CC(=O)c2sc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)nc2C1 588845403 OCYBLMCLZLDCJV-UHFFFAOYSA-N 490.610 5.153 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1cccc2cnccc12 595869165 CKMXUHXUSUUTMQ-MRXNPFEDSA-N 478.459 5.243 30 20 JKED CCN1C[C@@H](CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)Oc2ccccc21 603831126 UZZLTWKXEBRPAA-XMMPIXPASA-N 470.573 5.083 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1cc(Cl)ccc1C#N 604009989 JHPVTAUXRHNQPZ-HUUCEWRRSA-N 459.377 5.319 30 20 JKED COc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(OC)c1 604046381 CSHQCFPPDWKQIF-HNNXBMFYSA-N 451.910 5.460 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CC(C)C)c1cccs1 604119198 HIRWTUBELWHVKT-MRXNPFEDSA-N 451.386 5.063 30 20 JKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604160115 VVIWZCCZMJRSSG-UHFFFAOYSA-N 463.537 5.082 30 20 JKED Cc1cccc(C2(CNC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCCCC2)c1 604220784 HNVFWBMJBZGQBP-UHFFFAOYSA-N 468.557 5.011 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 604547945 GEYPHSZYUAYFBF-UHFFFAOYSA-N 490.566 5.169 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](C)c2oc3ccccc3c2C)cc1 608795846 YVKCEKNXMNQRGS-QGZVFWFLSA-N 469.497 5.230 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608841244 MCRMDVKYFQOZRK-SFHVURJKSA-N 465.941 5.460 30 20 JKED CC[C@H](c1ccccc1)c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)o1 609018912 SGNJORZEOSBSCE-NVXWUHKLSA-N 466.632 5.790 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 609061021 HPLBHXOQTANCEO-OAQYLSRUSA-N 494.517 5.715 30 20 JKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062602 CYSYRLGAVFZNFP-UHFFFAOYSA-N 463.946 5.997 30 20 JKED COc1cc(OC)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 609063103 XHZLYHYNIQBYQJ-UHFFFAOYSA-N 452.894 5.069 30 20 JKED COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609068923 ZIUWKOXYQOEZDE-UHFFFAOYSA-N 463.342 5.253 30 20 JKED CCOC(=O)c1cc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1Cl 609166106 FQMNHRWDBXYXMV-UHFFFAOYSA-N 450.926 5.163 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)cc1 609175041 VOPHRKAHJHORTL-UHFFFAOYSA-N 493.592 5.820 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CC2)c1 609204525 CMTRMCSQHPWSTD-UHFFFAOYSA-N 455.518 5.278 30 20 JKED CC(C)Cn1c(SCC(=O)NCc2ccc(C#N)cc2F)nnc1-c1ccc(Cl)cc1Cl 609229607 DSEOVVIXVAYOAY-UHFFFAOYSA-N 492.407 5.327 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609339427 QJSLBEVMSWFYGV-UHFFFAOYSA-N 454.889 5.219 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2C)cc1 609382435 FGPWCDFEEBRLCU-KRWDZBQOSA-N 495.626 5.309 30 20 JKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1OC 609435482 QNSFRWJHSYYWCX-CVDCTZTESA-N 475.614 6.204 30 20 JKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1nc(-c2ccccc2)cs1 613392037 BTFMWJAURURAET-GOSISDBHSA-N 471.542 5.748 30 20 JKED C=CCN(CC=C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CC2 641889698 CCZUKYUBTFUSOP-CAPFRKAQSA-N 470.569 5.562 30 20 JKED CC(C)COC(=O)N1CCC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 726142082 CJCBGPICJLOYFL-JOCHJYFZSA-N 453.970 5.439 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726321792 PYVSDDVVWLNULC-VFIGECHUSA-N 478.420 5.286 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)Cc1ccco1)c1cccs1 726422527 XBFDDWXSDDPCRO-KQLWRXFYSA-N 467.616 5.362 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccccc3)cc2Cl)c1 727999188 IRNXURXUFYETON-DEOSSOPVSA-N 473.960 5.424 30 20 JKED COc1ccccc1[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nccn1C 728120217 WUHXCJOHXDMKDU-SANMLTNESA-N 481.556 5.099 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)cs1 728441358 IDGZQDQIYYGXHZ-JLHYYAGUSA-N 477.586 6.603 30 20 JKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 728764686 DKRBHKFMBRZZKA-HOTGVXAUSA-N 469.315 7.029 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728903671 SOAOXCFECNBTOO-UHFFFAOYSA-N 496.036 5.205 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)cc1 729144100 BHIMIDGXMOWBCW-LJQANCHMSA-N 468.579 5.060 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CCc2nc(C(C)(C)C)cs2)C1=O 729634366 LOBOVJZKIMQDOB-HNNXBMFYSA-N 499.489 5.058 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ncccc3C)C2=O)cc1 729635043 ZPCXCIRTHIVMPZ-JOCHJYFZSA-N 479.005 5.512 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 729888762 OAMIOMLRRKCFSQ-FXAWDEMLSA-N 473.932 5.173 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cc2ccccc2)ccc1O 731077035 JLUWTDCRBXUOST-GOSISDBHSA-N 460.555 5.173 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731310975 UHIIGAQMWAADDY-PKTZIBPZSA-N 493.535 5.318 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1)c1cccs1 731312690 QVDJRRBTJZYEAQ-KAVHPSCTSA-N 465.600 5.044 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2)c1 731400473 OZNBTKHKUQNAEA-UHFFFAOYSA-N 478.499 5.742 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 731400524 QJNGNSCZOYBSLZ-YKSBVNFPSA-N 497.668 6.582 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c1 743524118 HFGDJCGJATUBCB-HSZRJFAPSA-N 490.535 5.305 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2s1 744936211 OWALLWLVFGPJJZ-LLVKDONJSA-N 467.403 5.472 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCOC(C)(C)C)cc1 746697797 MIKARIUGWVZKKN-HXUWFJFHSA-N 490.025 5.124 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 749339077 YNBQVPNYTIGXSE-OAQYLSRUSA-N 461.587 5.683 30 20 JKED CN(C(=O)COC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1)C(C)(C)C#N 749736116 ZEZLBPZRAJRXDX-KQWNVCNZSA-N 474.582 5.171 30 20 JKED CC[C@H](C)n1c(SCC(=O)Oc2c(Cl)cc(C#N)cc2OC)nnc1-c1ccccc1 749785680 MMPYELHAOOSONE-AWEZNQCLSA-N 456.955 5.147 30 20 JKED C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)C(=O)Nc1ccccc1C#N 791761851 HXDRHWPSXQHQEH-LXMVLSBBSA-N 479.561 5.839 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 837532046 KATHEZLBYNECHE-QRWLVFNGSA-N 499.423 6.110 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)cc1Cl 914549407 DUFGZUUTFPCYJO-MRXNPFEDSA-N 468.431 5.164 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)CSCC#N)c3C#N)C(C)(C)C2)o1 915388835 ZGNANYHOKTYTBG-ALCCZGGFSA-N 481.599 5.038 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1cc2ccccc2nc1Cl 915467446 QYNYLVKOZMFKFG-UHFFFAOYSA-N 475.726 5.043 30 20 JKED O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)CS(=O)(=O)c2ccccc21 916154197 ARNMOENNXZIQNM-LDADJPATSA-N 469.356 5.082 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)cc1 916205677 JBPHUTKIFKRZSI-SIKLNZKXSA-N 487.572 5.228 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 916206341 QHBDZBCBSQSVGV-FQEVSTJZSA-N 459.999 5.035 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1OC 916210597 FNHWUEIUQQUOFA-OAQYLSRUSA-N 499.976 5.111 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 916212236 UNNVDTYAZFAIDY-IBGZPJMESA-N 481.952 5.005 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1cccc2ccccc12 916217016 BFTWRZCXQIUUAM-HSZRJFAPSA-N 475.570 5.003 30 20 JKED O=[N+]([O-])c1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)ccc1N1CCCCC1 916278434 KSZUEZGQJNHFIK-UHFFFAOYSA-N 472.574 5.092 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C=Nn1c(S)nnc1SCc1ccccc1 916368266 ACTIPQBYXAMYAO-UHFFFAOYSA-N 469.039 5.256 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc(N3CCCCC3)cc2)cc1 916721060 UUYGCUZFJJIRIZ-UHFFFAOYSA-N 468.601 5.686 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916887101 MFPPNIRFQVPGDS-FCHUYYIVSA-N 492.503 5.417 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)COc1ccc(Cl)c2ccccc12 916903629 VBNHSZIAIFFCAB-MRXNPFEDSA-N 457.313 5.190 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 916912727 KEDSPALBXVEROR-HSZRJFAPSA-N 450.498 5.236 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1OC 916948360 UJQHAYVHRLYWJE-KXBFYZLASA-N 487.394 5.721 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1C 917043679 MGWNIYRDVZHOJZ-MRXNPFEDSA-N 453.980 5.116 30 20 JKED N#Cc1cccc(COc2cccc(/C=C3\NC(=S)N(c4ccccc4C(F)(F)F)C3=O)c2)c1 917357940 AYDVOABPNMTZDC-BKUYFWCQSA-N 479.483 5.418 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1 917426547 NVYXETZMMMASFN-SFHVURJKSA-N 483.952 5.625 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1C 917671078 KIEHPGUQWKGNTM-FQEVSTJZSA-N 493.551 5.319 30 20 JKED N#Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)cc3Br)n2)cc1 917845103 POFSUONHXFILNZ-UHFFFAOYSA-N 499.209 5.008 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1 918547315 OBAZPXSOLOSEIF-XLVZBRSZSA-N 498.624 5.130 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 920016545 FDCISGKSOGQWSF-CPJSRVTESA-N 459.571 5.450 30 20 JKED Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3cccc(OCc4ccccc4C#N)c3)c2C)cc1 920636458 YLHHRIIVARSIJE-UHFFFAOYSA-N 494.551 5.044 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 920868580 KWMINDIBQMZUBA-LIRRHRJNSA-N 494.444 5.545 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC2CCC2)cc1 920926956 ALWJJBFOUOCZPN-FQEVSTJZSA-N 491.535 5.474 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCCC(F)(F)F)ccc1Cl 921870307 OTULWCMZDBYOOS-UHFFFAOYSA-N 482.307 5.484 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@H]4CCc5ccoc5C4)cc3)CCC2)cc1 1786213710 RGQLIOZTDUBSNP-QHCPKHFHSA-N 467.569 5.023 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccc(C(F)(F)F)c4)CCC3)cc2)CC1 1787878710 GNWRUGRSNDMJOK-BJMVGYQFSA-N 453.464 5.156 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CCC2)cc1 1787889359 DNXZJMOBBSEFEU-UHFFFAOYSA-N 456.373 5.463 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4Cc5ccccc5O4)cc3)CCC2)c1 1789175737 XADOMHAGBQBPIV-AFMDSPMNSA-N 465.553 5.065 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790002720 SCRWQRHXAFDWRL-GOSISDBHSA-N 488.613 5.703 30 20 JKED CNc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cc1 1790081644 IHMBFEXKEUFLSD-UHFFFAOYSA-N 458.949 5.315 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)nc2ccccn12 1790083860 OAZLKHXLLSRYNO-UHFFFAOYSA-N 483.959 5.229 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c(OC)c1 1790235364 RXHGXZPRERVMON-IBGZPJMESA-N 483.568 5.392 30 20 JKED CC1(C)CCC(CC(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)CC1 1790569331 QKYVRQOLEYVFJM-VFCFBJKWSA-N 452.643 5.199 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccs5)on4)CCC3)cc2)c1 1790765099 RAZLMTVQXLSXHV-UHFFFAOYSA-N 486.528 5.475 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791405358 VGLCQEYAERWJNU-AFMDSPMNSA-N 487.616 5.072 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H](C)c4cccs4)cc3)CCC2)c(C#N)c1 1791814975 CUFQYXLFGHVDBC-GOSISDBHSA-N 473.598 5.109 30 20 JKED COc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124937 PGMJCUPENHAGHK-LJQANCHMSA-N 453.542 5.384 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCCN(C)C(=O)OC(C)(C)C)cc2)CCC1 1792333966 KLZNFEYSNVRFNJ-UHFFFAOYSA-N 483.653 5.536 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1798331627 SODDLJSDJGCQEI-XUJYPJAKSA-N 479.624 5.922 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1)c1ccccc1 1800740416 SRCANXIDQRBYRP-UEQSERJNSA-N 483.534 5.269 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1802626899 PENQNNCAVWYPKV-IAVMFFSMSA-N 455.042 5.446 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(C)c2Cl)c1 1803536849 GDBUTFDIAFZFSZ-REPLKXPHSA-N 456.373 5.048 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 1803861675 IAAYKNHGQFMBSN-BJWYYQGGSA-N 488.403 5.429 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)CSC3CCCC3)C2)CC1)c1ccccc1 1805986470 XZAWOEOHZWDFEP-RUZDIDTESA-N 466.691 5.091 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)C1 1806679184 AHSWLTORMFKJHH-UHFFFAOYSA-N 489.003 5.052 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)C2)CC1 1806757438 SCQMMGJEEWYVRP-PKTZIBPZSA-N 489.701 5.070 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c(Cl)c1 1808973519 FUBGXKMZJWXCMO-AJTFRIOCSA-N 494.982 5.393 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1810179106 XOXOPTUYQNXRMZ-KKLQWCBXSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1810500002 KILDSOKJVZLVJG-ZNIUSCDDSA-N 471.601 5.539 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)CC2CCCC2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811251527 LOPROPJBDPPLBT-SMCANUKXSA-N 491.635 5.381 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(Cl)cccc3Cl)[C@@H]2c2cccnc2)cc1 1811361571 LGSDHCAKNQPYHA-GBXCKJPGSA-N 493.394 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302955 MHTUDXCLKLKGFU-MRJKTFCFSA-N 493.607 6.069 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1)C(F)(F)F 1812303032 ODTOWYVRSQHUPD-MBSDFSHPSA-N 493.485 5.419 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1813826611 SZFFXPPKJGVRJS-PQNGQFLHSA-N 451.998 5.131 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)cc2s1 1814379140 DHVVMNXSBFAIHH-QFIPXVFZSA-N 486.601 5.071 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c1 1814735550 WCBCRKNMMDXKPY-JOCHJYFZSA-N 479.943 5.013 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c1 1814738825 HYMYMUKBTQBIGG-HXUWFJFHSA-N 473.558 5.028 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)ccc2n1 1818115993 RAOWJHLHCYRABJ-LEQVUBRHSA-N 499.596 5.073 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818454805 SWWGFLVOLREQDU-NIYFSFCBSA-N 477.568 5.810 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818775027 IOKVBIANMVUXJJ-KDOFPFPSSA-N 488.013 5.385 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818812811 PWGLAIBFFOMYDN-MSGLPKEPSA-N 458.562 5.630 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)Sc2cccs2)n[nH]1 1819257006 XHJCGWSHNWITGI-ZHALLVOQSA-N 458.653 5.413 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)[nH]n1 1819303436 IQMVAXVVCBCTEN-GBXCKJPGSA-N 459.594 5.203 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)Nc2ccccc2)n[nH]1)c1ccccc1 1819327224 JWLHUISEIGQDQN-LJGDZFJRSA-N 483.616 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)[nH]n1 1819552873 HTJSWCPNBOBGLZ-GIWBLDEGSA-N 464.610 5.207 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820218204 OIGAREVVZGONKC-HXUWFJFHSA-N 482.009 5.243 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)ccc2OCC)n[nH]1 1821156049 XVCYQCOSLGDKRZ-NRFANRHFSA-N 471.001 5.536 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CC1 1821309745 AEGXAIIMSSPBLD-DYESRHJHSA-N 485.510 5.352 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)s1 1821692698 LLHRDVLLSTXCIM-HXUWFJFHSA-N 476.606 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821759329 WKQKOPLLLMCBOK-BKULYWANSA-N 484.044 5.127 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823685354 VSJFFMZNPBPNTE-HHHXNRCGSA-N 487.644 5.050 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1823915782 IKHYBDOCYSZSAP-RUZDIDTESA-N 464.009 5.262 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)cc1 1823935925 SLDADPNYZNVOLD-RUZDIDTESA-N 481.999 5.217 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4sccc4c3O)sc2C1 1824180128 XIOZQHDTMHBFMH-CABCVRRESA-N 467.616 5.058 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)CC2)c1 1824649732 NVIJWNFJHZFVNF-YGOYIFOWSA-N 471.592 5.372 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1 1824762650 QCCBOPKEGAQSTM-DHIUTWEWSA-N 489.701 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1825441792 OCLUSINKEKVDAN-NBGIEHNGSA-N 474.649 5.486 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825947432 OCQFRPJWOZRHFH-HSZRJFAPSA-N 458.643 5.102 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1826312987 WDONUDGAPBODOD-XNMGPUDCSA-N 475.608 5.053 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681723 QODWDMQMTMYMMR-XBRXYFHMSA-N 482.671 5.272 30 20 JKED Cc1ccoc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1827742313 QFRUDRKOJKGWOJ-OAQYLSRUSA-N 473.495 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(Br)nc2C)CC1 1827972658 PITDGHUHRWVACI-GOSISDBHSA-N 496.515 5.440 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccc(C)cc2)CC1 1828340766 HNYBECALVOKYAK-VWLOTQADSA-N 454.680 5.475 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1828830954 QBWLOAYNFRPTQC-ISKFKSNPSA-N 481.587 5.515 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829577160 UBSZOGBRLPNGIL-CYFREDJKSA-N 475.658 5.895 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2F)CC1 1829884896 QCHUNYWIFYYMFN-XMMPIXPASA-N 474.668 5.249 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1830766813 OYUVPBHSWDEVLA-AREMUKBSSA-N 479.571 5.011 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)CC1 1830942924 ZJBVOGMKGQOPPL-URXFXBBRSA-N 463.622 5.178 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831297840 SJEJSLRNZFJZIU-HXUWFJFHSA-N 472.498 5.079 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1831370505 SRIQRIRVEARDAM-YKSBVNFPSA-N 461.046 5.331 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1831376355 MRSDDRQLQHOCMD-SQJMNOBHSA-N 487.084 5.220 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831448787 RXUPVNHAWAIRBD-IBGZPJMESA-N 491.560 5.254 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1831840078 AOPWIAAVICVCLG-KSFYIVLOSA-N 489.479 5.154 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1831843486 KPQUAROEYQDSRL-WMZHIEFXSA-N 452.620 5.031 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1844201492 DBGFYLUAMQPPIW-OAQYLSRUSA-N 464.606 5.225 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](S)C(C)C)c1ccc(OCc2ccccc2)cc1 1847829028 VWVBGXMUKFXXBE-YIPNQBBMSA-N 494.701 5.161 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1Cl)N1CC[C@H]2[C@@H]1CCN2C(=O)C12CC(C(F)(F)F)(C1)C2 1847884161 VFXWEAHNJODDAK-IJKBLAIYSA-N 498.826 5.046 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179107 IHRCJQGRMOMUOX-UHFFFAOYSA-O 470.854 6.609 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 10415771 IZBUUNXENZLSDZ-UHFFFAOYSA-N 480.870 5.087 30 20 JKED COc1cc(OC)c(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl 10551256 DJFVMMHXFWJAIO-UHFFFAOYSA-N 482.945 5.176 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)=C(/S)Nc1ccc(F)c(Cl)c1 10760700 SZKXAZFHUFWDTB-UHFFFAOYSA-O 488.992 5.111 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(Cl)c2)cc1 10831166 XGOMANOTEWBPCJ-UHFFFAOYSA-O 452.043 6.754 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)nnc1-c1ccccc1 11329954 MHECUBQFAKFRBW-UHFFFAOYSA-N 468.586 5.141 30 20 JKED C=CCOc1c(Br)cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OCC 15503285 IVAHJVKMXBLBED-GAJHUEQPSA-N 487.394 5.158 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)Nc1ccccc1SCC#N 17956149 NJMSVLHSEKUQFV-UHFFFAOYSA-N 457.964 5.183 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2scc(-c3ccccc3)c2c1=O 20790902 HOOWJGINBBBVIL-UHFFFAOYSA-N 499.564 5.643 30 20 JKED C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 22283572 JTNHXWHWGVBPQE-KRWDZBQOSA-N 467.570 5.610 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731132 CXPRNRATRAPDEV-UHFFFAOYSA-O 498.584 5.533 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(F)cc2F)cc1 23603405 USDTUHWATXFDAW-UHFFFAOYSA-O 456.582 6.152 30 20 JKED C=C(C)CN(CC)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CC2 24458882 GGUWSOPHFBPGAS-XSFVSMFZSA-N 472.585 5.786 30 20 JKED C=CCn1c(SCc2csc(NC(C)=O)n2)nc2scc(-c3cccs3)c2c1=O 24796923 UPKYABIMFGJKRK-UHFFFAOYSA-N 460.631 5.080 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl 27395117 VSITYRYEKQMGSK-UHFFFAOYSA-N 463.990 6.097 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(SC(F)F)cc2)c1 28781509 SHJFHHXGVJXEJD-UHFFFAOYSA-O 457.591 6.265 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@@H]1COc2ccccc2O1 32557093 XFXBUCMLEZMQFW-YJYMSZOUSA-N 491.400 5.403 30 20 JKED C=CCOc1ccc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1 43742221 YQCWFKWZARKUGY-UHFFFAOYSA-N 462.571 5.013 30 20 JKED Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c(Br)c1 60036183 BHADVFGJDZPQHT-MRXNPFEDSA-N 450.336 5.861 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccccc1F 215716297 OZBMWGZZSPWCHW-HSZRJFAPSA-N 478.618 5.638 30 20 JKED N#C[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc(OCc2ccccc2)cc1 303244308 LEYOYYOKRDPNJO-URLMMPGGSA-N 488.543 5.714 30 20 JKED COc1cc(OC)c(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1Cl 482219448 YMDYXNBJGAMTDI-UHFFFAOYSA-N 469.950 5.103 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 485345745 KWYCRHJKRNXQKM-INIZCTEOSA-N 467.447 5.527 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)s2)c(C(F)(F)F)c1 487288120 AMGMFQBBKCRACS-QGZVFWFLSA-N 484.503 5.154 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 501144106 QFQNRNOFHNGSTL-HSZRJFAPSA-N 473.523 5.231 30 20 JKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c12 501460364 FVXXLTPQADRLMF-UHFFFAOYSA-N 451.530 5.052 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 502760664 DJMFXHKVHFACIO-FQEVSTJZSA-N 470.579 6.083 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1cccnc1 503711744 ASYMDWBWJZMPOO-NSHDSACASA-N 468.797 5.606 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 505678529 RKTJXLLPKYIVQD-NRFANRHFSA-N 484.556 5.550 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)CCN2CCCCC2)cc1 505825671 PZMITXDIVFDJAS-UHFFFAOYSA-N 452.558 5.292 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 509722435 RZPKKZQAKCGPFW-KRWDZBQOSA-N 455.624 5.024 30 20 JKED N#Cc1cc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)ccc1OCC(F)(F)F 510790291 NJGNJEZONVMWSY-UHFFFAOYSA-N 465.516 5.083 30 20 JKED C[C@H]1Oc2c(cccc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC1=O 511766036 ZTZDWFGMNZIMKD-QMTHXVAHSA-N 458.326 5.326 30 20 JKED C=CCN(C(=O)c1sc2nccc(C)c2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 514902020 IZCWJVIXSFARIL-UHFFFAOYSA-N 483.640 5.273 30 20 JKED Cc1ccc(CN(C(=O)CSCc2ccc(C#N)cc2)c2ccc3c(c2)OCCO3)s1 515172323 ZEDLWASXGITSAB-UHFFFAOYSA-N 450.585 5.166 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 515689654 DYBJVTFPMAYHSR-UHFFFAOYSA-N 462.534 5.547 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3cccs3)n2)cc1 516714119 QIKPXDRDIXINHZ-FQEVSTJZSA-N 462.621 6.663 30 20 JKED COc1cc(C)ccc1Oc1ccc(F)cc1NCC(=O)Nc1ccccc1SCC#N 516819330 VAHPQCPLNVHYCI-UHFFFAOYSA-N 451.523 5.601 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 517473840 VKUCLPRGTSTJQD-SFHVURJKSA-N 495.649 5.551 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 518682173 UTOUOJCYZFSGIB-NRFANRHFSA-N 481.625 6.172 30 20 JKED N#C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1cccc(Cl)c1Cl 519485080 CPZQEMBNRBHJFP-SFTDATJTSA-N 486.786 5.889 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(-c3nccs3)c2)c1 520372857 SYOLVWSTNFWXAJ-UHFFFAOYSA-N 470.579 5.665 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 520814399 AISBYSNDZUBEQQ-GFCCVEGCSA-N 462.415 6.136 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)cc2)c1 521811914 YPYCUIRSWBOYBE-UHFFFAOYSA-N 458.493 5.372 30 20 JKED Cc1ccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)N2CCCC2)o1 523220351 LDWJSAPKKQRXEO-RUZDIDTESA-N 460.553 5.148 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(OCc2ccccn2)c1 523522519 PKUSOSVDPOOWQB-JOCHJYFZSA-N 494.570 6.144 30 20 JKED Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1NS(=O)(=O)c1ccccc1 524129000 YPTCGUPCEVGFOB-UHFFFAOYSA-N 487.537 5.092 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cnccn2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 589294956 WAIVFHFJSCPLBZ-UHFFFAOYSA-N 488.425 5.792 30 20 JKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)Cc2cccc(C#N)c2)c1OC 603521302 XEMPPPROXZJVIC-XLNRJJMWSA-N 489.575 5.883 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 603726012 WTSMRWBHAHHWHR-UHFFFAOYSA-N 458.543 5.327 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1OCC(=O)NC(C)C 604026446 IPFAPCKUGSXRBX-UHFFFAOYSA-N 493.947 5.168 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604085410 FRHDXGHGPMQRNJ-UHFFFAOYSA-N 478.556 5.297 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)cc1 604288567 AMNYUKXRUOSSKI-ZIAGYGMSSA-N 462.419 5.200 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(Oc4cccc(F)c4)nc3)cn2)c1 604534754 DRGNGTVHUZRCDH-UHFFFAOYSA-N 455.449 5.394 30 20 JKED CC1CCN(c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cn2)CC1 608903560 UIRWHJIVVJVEDW-UHFFFAOYSA-N 485.535 5.508 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(CN(C)Cc3ccccc3)CC2)cc1C 608964144 KBVCNPFYFFEVSB-UHFFFAOYSA-N 469.633 5.065 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)NC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)nc1 608993547 DLVFKHRNIBPJBJ-UHFFFAOYSA-N 480.399 5.318 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2OCC(F)(F)F)cc1Cl 609011110 ASLGYMKUPFMKRX-LJQANCHMSA-N 474.866 5.954 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)Cc3ccco3)o2)cc1 609056154 JNXFOWGGPUORAA-UHFFFAOYSA-N 495.535 5.058 30 20 JKED COc1cc(CN(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1OCc1ccccc1 609081433 OJQUPBOBFAOPDK-UHFFFAOYSA-N 467.472 5.411 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)c4ccncc34)CC2)c1 609208359 GAPAXHSHYZVXOT-UHFFFAOYSA-N 482.515 6.113 30 20 JKED C=CCN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 609433727 DLRVMAIGJVVDOE-IBGZPJMESA-N 465.517 5.107 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 609437058 NIJQWEJAOLRDAA-IBGZPJMESA-N 458.587 5.224 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)C1CCCCC1 613407546 YQTOCTYNOSTBJG-IBGZPJMESA-N 498.073 6.323 30 20 JKED O=C(c1cccnc1SCc1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618303140 JUUKPKQBRIPITB-ZIAGYGMSSA-N 466.422 5.716 30 20 JKED O=C(c1cc2ccccc2n1Cc1ccccc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618304312 VFHTUWCXYYWBFA-CALCHBBNSA-N 472.404 6.032 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 619365685 HYASBJIGUZVNII-KBPBESRZSA-N 494.407 6.530 30 20 JKED C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619385911 SLBABEWRXTYIBH-WUHRBBMRSA-N 480.371 5.681 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(-c2ccc(OC)cc2)no1 676461977 RIKJFNANGCJRRV-UHFFFAOYSA-N 468.966 5.652 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2cc(Br)ccc2OC)c1=S 725779280 WYDUIXRLVZUVCZ-IBGZPJMESA-N 486.439 5.228 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cnn(CC)c1 726116894 NHQBCPIAMJLONI-KRWDZBQOSA-N 482.437 5.360 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\[C@@H](C)c1cccs1 726415029 DWCHMIREAYVTEH-DXXPLOAOSA-N 455.649 5.175 30 20 JKED CCOc1ccc(OCC)c(N/C(S)=C(/C(O)=C2C=CC(=NC(C)=O)C=C2)[n+]2ccc(C)cc2)c1 726962908 IJXUTIMDUIWWQH-UHFFFAOYSA-O 492.621 5.174 30 20 JKED CCOc1cc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 727685154 BUYKKOXAZZDOLJ-BAACNHRGSA-N 494.588 5.416 30 20 JKED COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 728062424 NPJBWTNPDRENPF-QGZVFWFLSA-N 477.948 5.325 30 20 JKED C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 728390956 PHZPKTGOCCEFFN-QDPGVEIFSA-N 468.601 5.097 30 20 JKED Cc1nc(/C=C/c2c(Cl)nc(Cl)n2C)sc1C(=O)/C=C/c1c(Cl)nc(Cl)n1C 728440145 JYKJYRBWEWFKEQ-YDFGWWAZSA-N 477.204 5.599 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)cc1 728776884 FZKJKDYYBONWGC-NRFANRHFSA-N 484.025 5.060 30 20 JKED Cc1csc(Nc2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)n1 729334209 LYBMSBMJIKGFHD-UHFFFAOYSA-N 456.596 6.611 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 729564204 XNMAXTVKQIHRTD-FQEVSTJZSA-N 464.566 5.428 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H]2CCc3c(C)cccc32)cn1 729630821 ATJHBOLTKFHCHC-ZEQRLZLVSA-N 487.629 5.168 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)cc1 730491159 PCPAGBCZAIBSKX-KRWDZBQOSA-N 465.522 5.287 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2cocn2)C1=O 730710428 KXESRSZQRRRTLB-FQEVSTJZSA-N 498.992 5.114 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2cocn2)C1=O 730716365 WEHXOMBDWHWEDX-OAQYLSRUSA-N 498.992 5.114 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cocn2)C1=O)NCc1ccccc1 730726535 HJJKDAHHMMSZRN-RUZDIDTESA-N 496.592 5.180 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)cc2C)cc1 731305184 IWBGFGPYVAHBSR-XMMPIXPASA-N 489.597 5.178 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC 747406099 SKFKDUAUUFZBJS-WXVAWEFUSA-N 469.541 5.007 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cscn3)C2=O)c1 747600000 MKLHLZGXVCTMCR-FQEVSTJZSA-N 485.034 5.574 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cscn2)cc1F 747602982 NSCPKTNXAIGUSM-LJQANCHMSA-N 488.997 5.405 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)[C@H](C)c3c(C)noc3C)c2C#N)C1 750270113 NJDHNBHIXIZSRE-CJNGLKHVSA-N 457.596 5.051 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)CC1 750695958 NEAOKBFHOWRFHW-KRWDZBQOSA-N 461.418 5.198 30 20 JKED C=CCOc1ccccc1CN(C(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(C)c(C)c1 750777453 VOQUVFNKHDYQGH-UHFFFAOYSA-N 467.569 6.084 30 20 JKED COc1ccc(-c2nc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)cs2)cc1 767301612 GXYVRPQDTGXJTN-UHFFFAOYSA-N 492.413 5.467 30 20 JKED C=CCOc1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 769673739 JFBSAJPVELZHJE-LBIZBFCRSA-N 450.318 5.150 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 837302032 PLZUVHSAVBWIGZ-IQGLISFBSA-N 498.583 6.095 30 20 JKED Cc1sc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)c(C#N)c1C 893329739 WRGGLODYSVGGKV-UHFFFAOYSA-N 487.553 5.821 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 914543280 HTFHWRGITUWKDT-OPAMFIHVSA-N 496.995 5.273 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1 915085677 AGEDEQPAUXOABM-HHHXNRCGSA-N 481.577 5.073 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnc1-c1ccc(Cl)cc1 915087012 PESGHGYCNBYMLM-HSZRJFAPSA-N 488.016 6.005 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)Cc3cc4ccccc4nc3O)c2C#N)C1 915571579 RQZUVGBEPIHRTP-GOSISDBHSA-N 491.613 5.139 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 916912949 COOGZBYBOHETCR-NRFANRHFSA-N 472.511 5.007 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 916914133 WGIYACMSSNHOJJ-HSZRJFAPSA-N 450.498 5.236 30 20 JKED C#CCN(Cn1nc(-c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1=S)[C@@H]1CCc2ccccc21 917456510 JUDMFMZRBLAYHI-QFQXNSOFSA-N 483.641 5.322 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@H](C)c2ccccc2)cc1 917611039 XTSYZLNNDHWTRV-HXUWFJFHSA-O 474.650 5.505 30 20 JKED N#Cc1ccc(CSCC(=O)OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 919206960 HLDWIUQBOMTUGC-HXUWFJFHSA-N 463.386 5.005 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)c1 919692438 LFQDLWQUVRCCSN-LKAWRWRFSA-N 451.954 5.056 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 919999682 IAPVVGPKHZJOIN-UHFFFAOYSA-N 461.493 5.876 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ccc(Br)cc3C)n2)cc1 920142829 MNYYZSOOMPNJGO-KRWDZBQOSA-N 473.417 5.858 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@@H]2c2ccccc2)cc1C 920351911 FJAVDULERZOBLU-YMVVMYQSSA-N 491.657 5.072 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CCCO[C@@H]2c2ccccc2)C1=O)NC1CC1 920357480 UUGDYWQEOBWRDV-JKFKMHIGSA-N 498.048 5.108 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1C 920892549 OFNMTMOESGYNHQ-UHFFFAOYSA-N 496.354 5.794 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 920975197 GYEJYCAPFXKDPI-HOYKHHGWSA-N 472.976 6.005 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 927534044 UYAODSWLGBBPNF-QGZVFWFLSA-N 467.978 5.573 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3c1oc1ccccc13)C2 1779273716 BYNOXFIZHQKSOV-OGSSDNIRSA-N 486.612 5.482 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)cc1 1785796053 QRGFQBPEKIETBM-UHFFFAOYSA-N 474.564 5.487 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C3(C)CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1785814573 KHDZNOJGYVJBGS-OAQYLSRUSA-N 469.626 5.170 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3C(F)(F)F)CCC2)cc1 1786375047 KDUCHPKXGSPYBG-OAHLLOKOSA-N 464.459 5.183 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789151248 IPFJGMZQXLLUKW-RPWUZVMVSA-N 467.009 5.560 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)cc2)CCC1 1789220432 RQTQGGUNOHEMPR-GOSISDBHSA-N 493.007 5.745 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccncc4)[nH]n3)CCC2)cc1 1789508147 QMZTUTQBSPXYDN-UHFFFAOYSA-N 499.691 5.271 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)cc3)CCC2)cc1 1789532471 JPJJRCQBYORRHT-ZNZIZOMTSA-N 479.605 5.388 30 20 JKED CN(C)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c1 1790268542 AIHMZZJUCHKRTL-BUHFOSPRSA-N 473.598 5.001 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)CCC3)cc2)ccc1F 1790520269 KYSANYVUVMVDHI-PVHODMMVSA-N 497.595 5.262 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc(Cl)c3O)cc2)CCC1 1790757387 OYANGAJWZVTAQH-CQSZACIVSA-N 463.361 5.038 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790838401 GWPFGTQVFXPSNV-UHFFFAOYSA-N 491.975 5.145 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ncc[nH]5)cc4)CCC3)cc2)c1 1792124174 OGAURVVRJKQVBB-HXUWFJFHSA-N 489.579 5.765 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccc(F)cn45)CCC3)cc2)c1 1792127379 XDNARLQHBWEDCP-SFHVURJKSA-N 481.531 5.162 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)no3)CCC2)cc1 1792239910 FROQXFWVONTXHO-UHFFFAOYSA-N 492.535 5.040 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(NC(=O)OC(C)(C)C)sc4c2CCCC4)C3)C1 1792504630 DIGUUXZVQXUYJM-REPLKXPHSA-N 499.677 5.192 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(Br)c(F)c1)C2 1792572828 XFARIYKGAFCZHC-REPLKXPHSA-N 479.434 5.151 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(OC)c1 1796463370 ILOBDDKDROXTMG-KOUNCHBCSA-N 461.606 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1798339488 XGLGQVOKALRLQJ-YYIAUSFCSA-N 455.813 5.667 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Sc1ccccc1)C2)c1ccccc1 1798555498 QPUDUMQMQVSSLZ-UDODTCMPSA-N 460.643 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)Oc1ccc2ccccc2c1 1799880790 DXWVZMQOIOGURB-OUJSJNLKSA-N 460.618 5.404 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 1800673129 DKDTTWPDWOKOCK-REPLKXPHSA-N 462.516 5.112 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1802495743 DUGNCLDBYIPBQS-ATIYNZHBSA-N 470.617 5.250 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1802500810 PPVFJRBFHJECPF-SQJMNOBHSA-N 491.035 5.595 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1803088212 INRGGOFRVQNOHV-AVCGJXAMSA-N 469.676 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2F)[C@H]1c1cccnc1 1803983438 URWGMQDNEJSYHT-SKDKGQFXSA-N 467.560 5.071 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc5occ(Cl)c5c4)CC3)C2)c1 1805328914 COJBOVZPVGFIAK-UHFFFAOYSA-N 490.003 5.435 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C=C/Sc3ccc(C)cc3)CC2)C1 1805456961 OQKBCRWKWWNLJX-DEDYPNTBSA-N 452.664 5.600 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OCC4CC4)c(F)c3)CC2)C1 1805461036 POGKYOGNHUGHAO-UHFFFAOYSA-N 468.613 5.228 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)C1 1806067868 YUMFTTLWKFCNDH-SFHVURJKSA-N 476.992 5.158 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)CCC2CCCC2)[C@@H]1c1cccnc1)c1ccccc1 1806203960 NASMAQQPUCICFN-XQFUHLNNSA-N 471.645 5.255 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(F)cc4Cl)C3)CC2)c1 1806558997 MRBHLTZTGREXGZ-LJQANCHMSA-N 481.999 5.194 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC2CCCC2)[C@@H]1c1cccnc1)c1ccccc1 1810447046 RMIHLDOZJCOLNO-IUAQSZDVSA-N 471.645 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1c1cccnc1 1810497903 JCGXRRPXLNBHSR-DVECYGJZSA-N 462.569 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1c1cccnc1 1810501426 JCXFLSLXGDKZTF-FUZURDOLSA-N 471.645 5.202 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[C@H]2c2cccnc2)C1 1811305857 XBSHLOIFJWZLNV-KDYSTLNUSA-N 496.636 5.577 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)s1 1811722304 LXAVTGKEPUTGBA-DVECYGJZSA-N 490.604 5.085 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c(Cl)c1 1811745890 OTJIGMRIZRDYSB-AMGIVPHBSA-N 494.982 5.393 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1812596050 DXBICWIWTPHAPN-HOKHCIIBSA-N 480.052 5.465 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1812958309 NJBAPROOPUZEGF-MFMCTBQISA-N 494.639 5.248 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[C@H]1c1cccnc1 1813058237 MNDJXIFDTSCJJK-HRFSGMKKSA-N 489.019 5.058 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[C@H]1c1cccnc1 1813060417 IGMACLFNTLAUGN-YGPDHOBYSA-N 475.539 5.175 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1 1813220590 LVXLIKRQMCNILO-SQHAQQRYSA-N 491.701 5.217 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1813229584 UTDBYIRLENWSTP-GJZUVCINSA-N 459.615 5.118 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1814182086 GUWUHOSNRXASQI-XXWKMLLLSA-N 479.624 5.088 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)[nH]n2)C1 1814397467 KCEUVYFVKGTBAR-XMMPIXPASA-N 456.546 5.474 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1815247694 OMZPSGOXAOLLBB-AEFFLSMTSA-N 499.862 5.086 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)cc1 1818813346 VCAUAHMBSYADAV-MDRMPYQZSA-N 465.513 5.047 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(Br)nc2C)[nH]n1 1819305527 LFOBEUORWFBIIZ-HOCLYGCPSA-N 492.443 5.011 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)[nH]n1 1819309091 MEDLBLWLOVCXTR-QUCCMNQESA-N 481.000 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)[nH]n1 1819552847 FWLBETDLJVSZRW-QGZVFWFLSA-N 495.958 5.358 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)[nH]n1 1819554752 NIOZYOFYWIGZTA-VGSWGCGISA-N 454.537 5.312 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437956 QSLIARQOEZTUJV-DEOSSOPVSA-N 470.573 5.702 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3cccnc3)cc2)n[nH]1 1821003873 QAPDCRQRAYWALZ-NOZRDPDXSA-N 469.589 5.546 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)cc1 1821273888 SZSAIGKVXWIHPH-HSZRJFAPSA-N 459.525 5.164 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)[nH]n2)c1 1821323909 FJTYYJZBPDDZON-VWLOTQADSA-N 480.572 5.010 30 20 JKED C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccccc1 1822041981 TVDXMMPURORFLI-XQKMKWSOSA-N 476.602 5.096 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1)c1ccc(O)cc1 1822469057 DWJGHOVTWZJMMI-PXDATVDWSA-N 496.567 5.365 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1)[C@@H]1C[C@]1(F)Cl 1822507254 ZHIFGTZYJCIEEX-JEYPMZLKSA-N 490.966 5.040 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1822584250 DMDQDTBMPFWBFU-NRFANRHFSA-N 451.958 5.044 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1Cl 1823909560 BKGKFAXSADNKLB-RUZDIDTESA-N 464.009 5.262 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)CC1 1824146745 KYRRASIXFAHQQF-WIOPSUGQSA-N 465.613 5.169 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 1826422452 IAKSCDHVVQJKKQ-LJGDZFJRSA-N 456.696 5.355 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccsc3)CC2)c1 1827105230 RCRQGXVGYBXZKB-CJFMBICVSA-N 463.647 5.241 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)F)no2)CC1)c1ccccc1 1827260625 PUMBALWNAYJYCN-GGAORHGYSA-N 483.559 5.043 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827263858 XVSIBGDNVWXENB-RXVVDRJESA-N 480.099 5.137 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)c1 1828400265 HDWVPZUKRAZYDQ-CYXNTTPDSA-N 476.020 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1828827075 HGPPATHIAVRCON-FDDCHVKYSA-N 464.984 5.620 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2ccc3ccc([N+](=O)[O-])cc32)CC1 1829068213 KSADAYLBRVGYNF-XMMPIXPASA-N 494.636 5.162 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829491014 RLTXRDNAOKHVSQ-LJAQVGFWSA-N 477.608 5.034 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)CCC1 1829648674 ZONTVJQINBLDOI-GOSISDBHSA-N 499.936 5.425 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)ccc2c1 1830629497 ZCDDZMAOLZQTMS-NDEPHWFRSA-N 480.612 5.156 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)CC1 1830633945 ZPSQNGIDTGDPIX-RMDSEJHCSA-N 463.666 5.448 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)CC1 1831059501 HQPJRQLTWGZDEI-QHCPKHFHSA-N 498.465 5.276 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831233745 CWWNXQYZJZXFLL-AUSIDOKSSA-N 496.639 5.434 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)C1 1831303560 YCDFRJCAAJYPBH-DEOSSOPVSA-N 455.042 5.348 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(-c4nccs4)noc3c2)CC1 1831374278 ZFDDFCLTHNEDMA-XMSQKQJNSA-N 492.645 5.397 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1)C(F)(F)F 1831453800 LESOCSUCOKVNEY-IBGZPJMESA-N 492.460 5.066 30 20 JKED CC(C)/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1832512971 WIGDTHIYDOPTLD-XYXUZSOXSA-N 461.528 5.023 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832629187 LLUILLQNLSTONY-VHSZZVNMSA-N 489.685 5.728 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633521 JJVPRSOHLVARQT-CUNXSJBXSA-N 487.644 5.486 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cc4cccc(F)c4)cc3)CC2)CC1 1838749617 DLBSOMLOCWFNCH-JOCHJYFZSA-N 492.635 5.241 30 20 JKED O=C(c1cc(-c2ccccc2)n2ccccc12)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841262848 ZOLBZNXFRMMJFS-UHFFFAOYSA-N 493.994 5.128 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 8632685 OZNBINYLXXYTLX-LKDMUDCMSA-N 471.557 5.304 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179993 IYVURYUPIPXBGA-UHFFFAOYSA-O 467.636 5.427 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)c3cnn(C(C)C)c3n2)cc1 10278384 BHQJJMYEKDVDFH-MHZLTWQESA-N 478.600 5.010 30 20 JKED Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)s1 11761455 QJVWQZGFMORDIP-UHFFFAOYSA-N 462.575 5.319 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 15237054 WBDZCLJSABAJPD-NRFANRHFSA-N 491.016 5.245 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n2CC(C)C)cc1 15852530 WRLBHVJTFPOJEU-HNNXBMFYSA-N 469.998 5.254 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)s3)o2)nnc1-c1cccc(C)c1 18972703 IZKZLRJPAFAZHS-UHFFFAOYSA-N 474.409 5.606 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)cc1 20042684 CWXXPRPJWGTBMT-UHFFFAOYSA-N 495.395 5.433 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccccc1OC 20328703 SBEOREMOBHOYJY-UHFFFAOYSA-N 462.575 5.174 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 21695741 HYHIECQFJOYCCP-KRWDZBQOSA-N 485.371 5.039 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nnc1-c1ccccc1 21754827 GJLVKCSVHLBAHL-MRXNPFEDSA-N 471.424 5.033 30 20 JKED C[C@@H]1CN(Cc2csc(/N=C(\O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)C[C@@H](C)O1 22301730 SFBLGQIFCMAOBD-HZPDHXFCSA-N 467.551 5.040 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccc(OC)cc1 23998000 JMWWYULJIPGXEH-CYBMUJFWSA-N 469.567 5.008 30 20 JKED CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccccc1 26983584 DIYXGGYDEHWPFI-XMMPIXPASA-N 487.581 5.488 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc2sc3c(c2c1=O)CCC3 28422180 SJZSTRNQODEUJB-UHFFFAOYSA-N 473.623 5.531 30 20 JKED C=CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1-c1ccccc1OC 30924136 SSBJNUOZWNSACS-UHFFFAOYSA-N 469.035 6.133 30 20 JKED COc1ccc([C@@H](CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)NC(C)=O)cc1 46861599 HHRBHFFBMLCRFA-UKILVPOCSA-N 461.949 5.210 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1Cl 107876910 XFOZDWFIVYFWCZ-RDPSFJRHSA-N 499.954 5.023 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nc2scc(-c3ccccc3)c2c1=O 255941283 LASQNSSYNVQYNJ-UHFFFAOYSA-N 493.013 5.567 30 20 JKED C[C@H](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 409610807 BXHVZWCPFXLWKO-SNVBAGLBSA-N 457.367 5.054 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 409799463 WQZPGFNROLSMEQ-UHFFFAOYSA-N 465.391 5.375 30 20 JKED N#Cc1ccc(SCC(=O)N[C@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)cc1 483585406 PQQLPXZHQPHXMC-QFIPXVFZSA-N 498.377 5.048 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3Cc3ccccc3)c2)cc1 484146529 YYDBGBUNZCUPKO-LEAFIULHSA-N 481.596 5.188 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 487831153 DXDKVTPYHOKFIK-UHFFFAOYSA-N 495.332 5.801 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c(C#N)c(C)c1C 492218998 CKSXXIQCCIXLMT-UHFFFAOYSA-N 450.608 5.014 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2)cc1 501423088 LFSKVTKZAQUDPB-UHFFFAOYSA-N 485.418 5.433 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1Cl 506095749 AOQQCMMDXHHBQZ-HSZRJFAPSA-N 458.949 5.209 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccnc(Oc4ccc(F)cc4)c3)s2)cc1 506665323 VMCPXROGXGYNCU-UHFFFAOYSA-N 492.561 5.350 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1[N+](=O)[O-])c1ccccn1 507919153 GHPYSXKXGAIZBE-GOSISDBHSA-N 479.496 6.079 30 20 JKED CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)[C@H](C)c1ccc(C#N)cc1 509589532 WYJAUQWXDOPACN-MRXNPFEDSA-N 453.999 5.192 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 510251179 GZHZXKLPSOYNCP-UHFFFAOYSA-N 478.346 5.153 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3nccs3)cc2Cl)cc1 510306719 USYWROMMCPDBEK-JOCHJYFZSA-N 488.956 5.305 30 20 JKED C[C@@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)C1 511401101 XHQIQUVUUGZWCL-HSZRJFAPSA-N 482.628 5.885 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 512530340 HLPYDMANPDSBBB-UHFFFAOYSA-N 477.520 6.172 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)cc2Cl)cc1 516006382 HEVNJDWNCDFDGD-UHFFFAOYSA-N 495.988 5.016 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 516817133 OAYHOXIVPSTFPY-NHCUHLMSSA-N 498.583 5.230 30 20 JKED N#Cc1ccc(CCC(=O)N(c2ccc(Cl)c(Cl)c2)c2nc3ccccc3s2)cc1 517303137 JQPPEJYGUYNQMS-UHFFFAOYSA-N 452.366 6.772 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 517479812 VBWKCNYDRBGPQT-UHFFFAOYSA-N 477.586 5.063 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ncc(Cc2cccc(Br)c2)s1)c1ccccc1 517506893 UIDSKRXQRGUREL-UHFFFAOYSA-N 497.418 5.162 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2Br)no1 518660958 MOOFKTUPYZQECV-AWEZNQCLSA-N 486.391 5.829 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 518798881 BTYDQHQNYAJEJF-UHFFFAOYSA-N 495.579 6.172 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2)cc1 519032888 DZCLSQUEKYTTRL-LJQANCHMSA-N 458.493 5.372 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CC1 520001637 KQLPQZUGZWDQAF-IBGZPJMESA-N 499.596 5.390 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 520940121 FNBMXZRNVNTCHY-FUHWJXTLSA-N 482.009 6.196 30 20 JKED N#CC1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CCCCC1 523354741 BSTXOLLBCCLRDE-UHFFFAOYSA-N 463.379 5.187 30 20 JKED COc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1 524680703 RFGYRZCFGUVFMV-QGZVFWFLSA-N 451.364 5.759 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(Cl)cc1 571311270 ZOGTZPZYYUVCEP-ZDUSSCGKSA-N 470.023 5.326 30 20 JKED COc1cc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 585813500 VQKQEUSIHWKIKL-ITGUQSILSA-N 453.345 5.635 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc(C)nc21 587988807 RLFHTYPDNTVWNG-SWLSCSKDSA-N 457.481 5.829 30 20 JKED C=CCN(C(=O)N[C@H](C)c1ccc(SC(C)C)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596293473 BWZOKONNUAGQIL-MOPGFXCFSA-N 450.612 5.183 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 603511294 BNOSZFCSYIISJC-UHFFFAOYSA-N 461.447 5.097 30 20 JKED Cc1ccc(-c2cc(-c3nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)o3)c3ccccc3n2)cc1 603597657 MUAWGMZFVRUVMG-XRHLQHRESA-N 485.613 5.795 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)cn2)c1 603622730 XKIQBZBJXNQZMJ-VWLOTQADSA-N 496.954 5.899 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](c1ccccc1)N1CCSCC1 609072422 LUPCBVLDWXZWPD-AREMUKBSSA-N 457.599 5.174 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 609078179 FQEKAAYXBLCKAY-QGZVFWFLSA-N 475.499 6.073 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(OC(F)F)cc1 609085986 ITBYPHAGBHJFBA-OAHLLOKOSA-N 499.901 5.208 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@@H](C)c1ccc(F)cc1 609088079 RNDZJISEFRTBEP-KRWDZBQOSA-N 479.939 5.478 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2F)c1 609104385 WKSZOKVPHQYASH-UHFFFAOYSA-N 463.896 5.309 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)c2)cc1 609165744 QQBDJJLDZOLOEF-UHFFFAOYSA-N 457.917 5.821 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3SC[C@@H](C)C#N)[C@H](c3ccco3)C2)cc1 609384675 GPAIJVYGDZSRJS-MBSDFSHPSA-N 474.586 5.330 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 609399183 DSPNDCWHWJLDRB-OAHLLOKOSA-N 477.417 5.235 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)ccc1I 609428617 XPUFWYSWQQEXKE-LLVKDONJSA-N 456.736 5.591 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccn2)cc1 609437213 WEWIKDAKFVLDGR-SFHVURJKSA-N 462.575 5.989 30 20 JKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613344945 YHGAZZNZNPBODJ-NXOUGTEYSA-N 470.381 6.201 30 20 JKED O=C(NCCc1ccc(F)c(Br)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615814577 OPCQHMRHZKTZKU-GDNZZTSVSA-N 479.234 5.339 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCC(C)C)cn1 726117059 QKRBEVFNSWZSOP-LJQANCHMSA-N 495.571 5.318 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC[C@H](C)OC)cc1 726393643 QCVIXVSOLVROHL-MHECFPHRSA-N 491.613 5.234 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 726396664 FYFFYKKMWCNACJ-RDTXWAMCSA-N 480.417 5.379 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 726410514 HSANSSQNQBBMPW-KBMIEXCESA-N 498.608 5.183 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2)cc1F 726413692 ZSVYUJOUUAALKQ-JOCHJYFZSA-N 499.514 5.273 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1)c1cccs1 726420531 IOGDXMQYJIOCET-UIXHRTKYSA-N 467.538 5.319 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3cscn3)C2=O)c1 726421720 OZNFZIUSLIUBKV-QVAVMFBNSA-N 484.672 5.411 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 726526712 XYXAGUOEIXIAQM-AREMUKBSSA-N 479.511 5.994 30 20 JKED CCOc1cc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)ccc1O[C@H](C)C(=O)N(C)C 727267358 HYNNTRJZHZEIAY-KYTCBBFDSA-N 482.577 5.408 30 20 JKED CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(OCc2cccc(C)c2)cc1 727648944 XPJBJBXBJULXRE-UHFFFAOYSA-N 499.640 5.082 30 20 JKED CCOC(=O)Nc1nc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2s1 727993191 JWRZXPLORGZAOS-UHFFFAOYSA-N 462.487 5.161 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 728117670 MTRSRQROYSEZDH-QFIPXVFZSA-N 457.496 5.889 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC(c3ccccc3)C2)C1=O 728426987 ZJJTYNKWTCIMAO-FPCQFERPSA-N 462.402 5.007 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cccnc2)c1Cl 728429922 LSUQVOUMNGYGNF-GUYCJALGSA-N 477.417 5.058 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 728430156 OGNDNFORRLMTMM-OUTUCMPNSA-N 489.626 5.166 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCCCC#N 728780715 XOOZIBIRZKOWAH-JOCHJYFZSA-N 483.037 5.865 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(NC(C)=O)c1 729634678 QUENFMBXUXCGCE-XMMPIXPASA-N 494.661 5.658 30 20 JKED C#CC[C@H](OC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C)c1ccccn1 729797572 AGPDMGBAHBLYLT-IBGZPJMESA-N 489.622 5.519 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)cc1OC 729887718 AZARBQUBGJGKMG-ZDUSSCGKSA-N 493.766 5.296 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 730444880 QMABPYMPJPTQEI-OAQYLSRUSA-N 482.993 5.148 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)c1 730460380 ZIYWVYQFQMJZPU-HXUWFJFHSA-N 457.983 5.170 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1)c1nc2ccccc2o1 730690261 QYBTVPLJGFWGKJ-AOMKIAJQSA-N 465.278 5.726 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCCc2c[nH]c3ccccc23)C1=O 730709841 CSWHLHFHVSOZGN-HXUWFJFHSA-N 489.428 5.175 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cocn2)cc1 730713448 SIWHRVSBKBAHEV-NRFANRHFSA-N 466.538 5.098 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 730921206 VVQPXIIBTKKRFV-FQEVSTJZSA-N 469.324 5.299 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 731067353 QJLDBWDJXQSXRU-MRXNPFEDSA-N 494.594 5.234 30 20 JKED N#CCOc1ccc(CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)cc1 731155976 CXNJKZABTWNEBX-UHFFFAOYSA-N 462.962 5.694 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1ccc(C)s1 731308474 LFSIIHDHHPYKLL-ZHRRBRCNSA-N 495.626 5.492 30 20 JKED CCOc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)c1 731310600 LICOCAJWQPNXFA-QHCPKHFHSA-N 493.560 5.091 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731312636 NQOKEBBCOAXUBO-RPBOFIJWSA-N 496.592 5.220 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 731317349 DMWVBWGSNCMHPX-UHFFFAOYSA-N 494.642 5.498 30 20 JKED Cc1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1NC(=O)c1ccncc1 743862356 MBUHEZDJFSDWRV-UHFFFAOYSA-N 462.509 5.345 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cnc(-c3ccccc3Cl)s2)n(C2CCCC2)c1C 747953523 UNDDRARQSKGPFV-UHFFFAOYSA-N 482.993 5.664 30 20 JKED C[C@@H](OC(=O)c1ccccc1OCc1cscn1)C(=O)Nc1sc2c(c1C#N)CCCCC2 811857765 CKJQFYFIDFSTJH-OAHLLOKOSA-N 481.599 5.108 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)cc1 837877645 WJTHVTRYKISXDV-GBXCKJPGSA-N 472.614 5.728 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(Cc3ccc(Br)cc3C#N)n2)c1 904633624 FRPJLZGJWPPBTL-UHFFFAOYSA-N 455.312 5.309 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@@H](C)Cc3ccco3)C2=O)cc1 914692181 WWZXYYVVAZJGBS-QMHKHESXSA-N 493.560 5.213 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C(F)(F)F 915084914 AMXXWSDZZMWXAD-NRFANRHFSA-N 460.459 6.107 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 915086118 HLANMDCLLMKVNT-HHHXNRCGSA-N 487.625 5.088 30 20 JKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103535 WUWAATALUJXWHC-XYSGEEOLSA-N 457.599 5.302 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC1CCCC1 915772297 NPDNPYHZGHQNKY-IBVKSMDESA-N 497.595 5.488 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)cc1 916205630 IJCDWQPRAAWWHT-QHCPKHFHSA-N 458.587 5.366 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=Nn2c(S)nnc2-c2ccccc2F)cs1 916319862 QEMCCVMKWCYLDW-UHFFFAOYSA-N 472.958 5.050 30 20 JKED CN(CCC#N)c1ccc(-c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[nH]2)cc1 916856195 HZBUNMBVMYZHCC-UHFFFAOYSA-N 465.966 5.034 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916945263 UIPAZFVTGJMWFZ-FGZHOGPDSA-N 479.319 5.409 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1cccc(C(F)(F)F)c1 916946189 MYCDSEWESCQHJM-QGZVFWFLSA-N 481.261 5.468 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)nc(O)c2c1C 917043358 HRLJKXCIXJOTJK-YPMHNXCESA-N 489.047 5.775 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 917506969 LGEFVJDFVFTROB-OAQYLSRUSA-N 495.000 5.959 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc(OC)c1OCc1ccccc1 917645186 ULCIFMGUVJKVRR-UCQKPKSFSA-N 488.590 5.560 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2csc3ccccc23)C1=O 917701275 NJMRMFRKHLNALE-QFIPXVFZSA-N 459.596 5.322 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918306437 XAMWTDORWLVBME-LAUBAEHRSA-N 454.555 5.110 30 20 JKED O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918734542 XRLZZOYNKKATTQ-OKILXGFUSA-N 491.382 5.362 30 20 JKED C=CCn1c(SCC(=O)OCc2nc3cc(Cl)ccc3n2C)nnc1-c1ccc(Cl)cc1 918809619 YYVPZRKERBNCDZ-UHFFFAOYSA-N 488.400 5.160 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 920108618 UQACBJFTQSUUES-OAHLLOKOSA-N 475.369 5.889 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 920143893 UJGKQJICEWAUOY-GHTZIAJQSA-N 479.989 5.201 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1C 920804544 UUVQCIWQWPPZNP-GFCCVEGCSA-N 472.567 5.678 30 20 JKED N#Cc1ccccc1Sc1ccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)cc1 929070475 PWOFIQVZINCJGK-UHFFFAOYSA-N 464.594 5.347 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C[C@@H]21 1783544030 ZZOXPJYSMRIOKV-QOKNQOGYSA-N 487.855 5.233 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CCC1 1785787178 RVEQTFFYGVBVOL-SFHVURJKSA-N 452.407 5.091 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cncc(-c5ccccc5C=O)c4)CCC3)cc2)C1 1785810240 GFOYKMNZUGCAQN-UHFFFAOYSA-N 465.553 5.275 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4C4CC4)cc3)CCC2)ccc1Br 1786056508 KOIZSEWYELXVED-NHCUHLMSSA-N 478.390 5.115 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1786102680 UKKAJKNGYCORPM-XMMPIXPASA-N 495.664 5.679 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc5ncccc45)cc3)CCC2)cc1 1786346565 WXWHGHPURIDBRJ-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)ncc3Cl)cc2)CCC1 1786980802 IVDKHUXUWBDGGL-UHFFFAOYSA-N 498.755 5.457 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(-c6nccs6)noc5c4)cc3)CCC2)CCC1 1789225168 VSTFBAFWGZUUFD-UHFFFAOYSA-N 497.580 5.393 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393576 WBBZHDGLBLQWAJ-NRFANRHFSA-N 465.981 5.142 30 20 JKED Cn1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c2cccnc21 1789398155 RMPNPIFFWOLUGJ-UHFFFAOYSA-N 483.959 5.160 30 20 JKED Cc1cc(CCC(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)ccn1 1789507726 PVANKFFXWVUXBL-UHFFFAOYSA-N 475.709 5.508 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCC2)cc1 1789625710 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C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCNC(=O)OC(C)(C)C)C2 1798594023 YGZDVHARXDKKGR-KOUNCHBCSA-N 477.690 5.092 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1 1800278799 ZYNJXLFTPMVMKN-KEJFTWOCSA-N 472.601 5.091 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)cc4)CCCCC2)C3)cc1 1800543789 LJNYYXIZBPAEOD-OOSCYNTBSA-N 490.047 5.560 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1804377585 ARMYHYKKABSNPT-AWVPAEOTSA-N 470.617 5.275 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C2)CC1 1804745045 CTOJAXSXEHBXNS-OAQYLSRUSA-N 454.014 5.435 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C2)CC1 1804745265 HSQSMUFLONKFOC-UHFFFAOYSA-N 456.030 5.659 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(N5CCCCC5)cc4)CC3)C2)cc1 1804762556 BTHKSAHKQZFNAI-UHFFFAOYSA-N 498.671 5.026 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)cc4F)C3)CC2)c1Cl 1805065134 QNHNCBFAMSBVCK-UHFFFAOYSA-N 474.363 5.163 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC2(CCCN(C(=O)CCc3cccc(C#N)c3)C2)CC1 1805323522 UMFBXICAHKYGME-UHFFFAOYSA-N 475.633 5.235 30 20 JKED Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)C2)c(C(F)(F)F)o1 1808404494 DSYIUCHTHILFPQ-KRWDZBQOSA-N 487.522 5.393 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810171860 HRQFKFPGGBBUQQ-DXKRWKNPSA-N 469.676 5.098 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1)c1ccccc1 1810443984 NXUXYFJAOSDVRJ-XNWTYBLDSA-N 495.623 5.290 30 20 JKED C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(CCCC)cc3)cc2)[C@@H]1c1cccnc1 1810600662 DEOVHOUGXXDMHD-PXJZQJOASA-N 465.597 5.044 30 20 JKED C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(CCCC)cc3)cc2)[C@@H]1c1cccnc1 1810600666 DEOVHOUGXXDMHD-YTMVLYRLSA-N 465.597 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Cc2ccc(F)cc2)[C@H]1c1cccnc1 1812469506 ZSQDRKGQJADNIR-QUURXOELSA-N 465.613 5.098 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@@H]1c1cccnc1 1812592486 UVAXXWLPXOGGNM-NDIWIEOSSA-N 482.584 5.355 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(C)cc(C)c2)[C@H]1c1cccnc1 1813240279 CBKJEHVCJDDMHD-XTEPFMGCSA-N 459.634 5.105 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)[nH]n1 1814442917 AQKPWBIMBMAANM-LJQANCHMSA-N 468.989 5.238 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)cc1 1814619735 ZNFKRJGBYMVNGB-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(F)c(F)c2)n[nH]1 1814660916 DCFMZVVSBNBRKR-PGRDOPGGSA-N 456.537 5.081 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2cccc3ccccc23)[nH]n1 1814824552 YHPFPNKDVDFSBB-XMMPIXPASA-N 472.589 5.402 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)[nH]n1)c1ccccc1 1814930774 BVCWNMSXHSRUEV-IGKIAQTJSA-N 487.579 5.095 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815248756 JRJJXNFEOJFAGY-RDPSFJRHSA-N 476.602 5.569 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3nc(-c4ccccc4)sc3C)n[nH]2)C1 1815798897 PWHYUYKOZIZSKR-QFIPXVFZSA-N 475.618 5.043 30 20 JKED CCC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)n1cccc1 1818059653 HFZWUMAJXSCPLB-LEWJYISDSA-N 478.984 5.084 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cn1 1820217460 KRXFSRZJHFZLFG-HXUWFJFHSA-N 490.995 5.247 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)c1 1820485675 VOSHRFFSWDFBHT-FQEVSTJZSA-N 473.533 5.255 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821280458 SRMMYQHIQOZCLJ-QMHKHESXSA-N 486.963 5.182 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1)C(F)(F)F 1821994403 SXVFWTISPHMGEU-QGZVFWFLSA-N 489.325 5.460 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)[nH]n1 1822387190 VJJWBUFSOLKBIK-NRFANRHFSA-N 474.527 5.247 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823217664 WFYBYVJLCFQVTC-RNHFSVANSA-N 469.589 5.455 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)CC1 1824041297 YJLGYBNYASPKEF-XNMGPUDCSA-N 461.650 5.109 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1824137246 CLFUCQKIIITPFY-QFQXNSOFSA-N 452.639 5.187 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1824141626 YGGGSUOJANHOKP-NRFANRHFSA-N 451.533 5.035 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824497996 LZFXQUXTMMYBAV-VPUSJEBWSA-N 489.100 5.682 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)CC2)c1Cl 1824857234 KAZKEAOIBSKRIO-UPVQGACJSA-N 467.972 5.156 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824987118 WPSYTGSVJFWTLS-UPVQGACJSA-N 481.102 5.073 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)cc1 1827405626 CMNOUBIXAUZXRP-QHCPKHFHSA-N 475.614 5.232 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)CC1 1827728332 ZXGGVEMRLWROMO-DEOSSOPVSA-N 492.689 5.515 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606622 LHSNQEHSIDHEJG-UTKZUKDTSA-N 473.614 5.075 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)Sc3cccs3)CC2)c1 1828778025 MLESYSBOVKJTNL-AUSIDOKSSA-N 481.687 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1828822133 FOHNRHYAVQMEMI-QPPBQGQZSA-N 493.475 5.760 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2N)CC1)c1ccccc1 1829032363 IMBRGFHTOPSEKV-VFZNGVSLSA-N 483.656 5.099 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccccc3o2)CC1)c1ccccc1 1829034628 AWQZCVGKFGJKBC-RSXGOPAZSA-N 483.612 5.258 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCn2cccc2)CC1)c1ccccc1 1829036151 ZSCOPSJMZKXKDJ-NSOVKSMOSA-N 473.661 5.085 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1829068367 SBBWNGFHXPRFSY-SANMLTNESA-N 479.665 5.331 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)s1 1830017085 SZPMECNYOHNXLK-QHCPKHFHSA-N 478.662 5.295 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830109201 GUOHMBYQRIXIFE-IDISGSTGSA-N 473.617 5.259 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1830738561 UKMITFWTIJKBGO-IIBYNOLFSA-N 461.990 5.002 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307253 TUVRFDLTCTWGCJ-FDDCHVKYSA-N 496.479 5.347 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1831447319 GKYTWVKZZBDYFZ-JOCHJYFZSA-N 478.555 5.059 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1)C(F)(F)F 1831448916 OIUMQHSTTQGTIW-MGPUTAFESA-N 456.936 5.182 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1831598970 KLABYLUACOKERS-MHZLTWQESA-N 457.618 5.158 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)CC2)c1 1831691492 ZRIZAQJXZRGPDE-KDYSTLNUSA-N 475.608 5.319 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1832028575 XKJJRZIOZBPZOI-QHCPKHFHSA-N 468.041 5.557 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)c1 1832629262 MKGYSPPMFQMJRQ-VANUSSGQSA-N 461.581 5.258 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)CC1 1832668979 LQQMFYWGEMGYMC-REWPJTCUSA-N 459.030 5.350 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1 1832785087 GNUHBBOJVFOKHG-NRFANRHFSA-N 462.421 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 1837435282 AAVHCZSMWQPUDV-UHFFFAOYSA-N 453.048 5.006 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)C1 1845547718 AQFDSIKLNXXHQK-UHFFFAOYSA-N 466.544 5.217 30 20 JKED C=C1N(C(C)(C)C)C(=O)OC12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 2010309 OFRYIDMZALXALS-UHFFFAOYSA-N 468.588 6.476 30 20 JKED CCCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 9139457 DEQQATWLVXYNQN-UHFFFAOYSA-N 474.417 5.701 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173111 WTOVNGUNIRIFQL-UHFFFAOYSA-O 455.578 6.063 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)s2)cc1 11007255 SETBQVJJRAEDOF-UHFFFAOYSA-N 492.601 5.328 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(\C(=O)c1cc(C)n(C)c1C)[n+]1ccc2c(c1)CCCC2 11258131 CMKZPKKGFDEWPD-UHFFFAOYSA-O 467.058 5.821 30 20 JKED C=CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 11322012 PRJJRAMOLLUARE-UHFFFAOYSA-N 483.880 5.046 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nc2ccccc2c1=O 15230977 PVWJOXZIBUKYRR-XMMPIXPASA-N 455.583 5.671 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)ccc1Cl 15568390 BLWJNPITQBMSTN-UHFFFAOYSA-N 486.380 5.499 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3F)n2C)n(C2CCCCC2)c1C 16254464 ORELKIGZOHEFPK-UHFFFAOYSA-N 466.586 5.147 30 20 JKED C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16763964 YWLJSWVGIPFNMB-CYBMUJFWSA-N 472.686 5.985 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nnc1-c1ccc(C(C)(C)C)cc1 16866212 IZDHHBICBIKSKF-OAHLLOKOSA-N 456.562 5.826 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 17882266 JKLLATMFMSDVOW-UHFFFAOYSA-N 470.602 5.417 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1)c1cc(F)ccc1F 22727177 XNPJTPXHATYKCF-UHFFFAOYSA-O 495.521 6.172 30 20 JKED Cc1sc2nc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n(C3CCCC3)c(=O)c2c1C 23565541 JTQQHJWSXXKHQK-OAHLLOKOSA-N 452.605 5.181 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 23603863 QWEIZRDDZDZKQL-UHFFFAOYSA-O 484.645 6.715 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)n1 24284626 CGDDBIZRCCNOBI-GFCCVEGCSA-N 472.517 6.099 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2CC)cc1 24891051 ZVCKPYMAXNYOKV-UHFFFAOYSA-N 486.597 5.007 30 20 JKED CC(C)CCC[C@H](C)n1c(SCC(=O)Nc2sccc2C#N)nc2ccccc2c1=O 25199069 KVMANDZUNSIXRW-INIZCTEOSA-N 454.621 5.448 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C(C)(C)C#N)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 25841083 SIWKSVRYCQLBNB-XTEPFMGCSA-N 497.595 5.628 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)cc1OC 25992223 IGAIRSAPDLNWEY-UHFFFAOYSA-N 466.559 5.375 30 20 JKED COc1ccccc1-c1nnc(SCCC(=O)Nc2cccc(C#N)c2)n1CCc1ccccc1 26155222 RGAOCAJYTNIWLJ-UHFFFAOYSA-N 483.597 5.189 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1[C@@H]1COc2ccccc2O1 26433698 GJQMAFJUQLGPRR-JXFKEZNVSA-N 461.547 5.188 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3SCCC#N)cc12 78668561 XJDSTAAVDPLOQS-UHFFFAOYSA-N 450.564 5.852 30 20 JKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 109759787 YNHVIDFLJVTFQW-UHFFFAOYSA-N 484.600 5.407 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 116525280 DONKDKJBWQQRRE-RIYZIHGNSA-N 481.552 5.250 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1F 195569190 FHUFXYHUJPZGII-ZDUSSCGKSA-N 461.360 5.152 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)cc1 254739543 LQVYVAYPXNLTIY-DEOSSOPVSA-N 491.613 5.235 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 255941519 PLZIWQNCTNTWQD-AWEZNQCLSA-N 491.842 5.517 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Cl 302931447 GRXUOTBBAWXGSD-JOCHJYFZSA-N 457.877 5.342 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCOc2cccc(C(F)(F)F)c2)c1 486301564 UBOIDBWHEQPKFU-UHFFFAOYSA-N 499.514 5.117 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c(-c2ccc([N+](=O)[O-])cc2)n1 494414581 VDIBSOOQJLIUHO-UHFFFAOYSA-N 473.489 5.056 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 498372802 ATPRENRJFWFEMM-HSZRJFAPSA-N 470.953 5.076 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)cc1 500032928 WTWNJDFPTANLIL-UHFFFAOYSA-N 477.630 5.397 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c12 501025612 ZKEQMZZKYMIUFE-UHFFFAOYSA-N 453.527 5.317 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1SC 503531011 QHAKGYZACJEEGK-NSHDSACASA-N 461.471 5.217 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 505857175 OOUQTQYLURKIJZ-UHFFFAOYSA-N 471.373 5.219 30 20 JKED COc1ccccc1NC(=O)Nc1cc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)ccc1OC 509417761 QVOHLGFXNSKSSS-RUZDIDTESA-N 488.544 5.262 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)cc1 510557649 FYCHGPQISZKPPT-INIZCTEOSA-N 472.383 5.155 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)c2C#N)C1 512569152 MHBGUZUDFGIQIQ-SFHVURJKSA-N 475.618 5.248 30 20 JKED Cc1ccc(OCCCCNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 515898160 KPLYGMASXAFTCJ-XMMPIXPASA-N 475.976 5.218 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)c2)c1 515939548 SGBPCGYUFOTBFO-NRFANRHFSA-N 496.592 5.092 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)o3)n2)cc1 516713527 HZCWHNDDNWSQSO-MRXNPFEDSA-N 452.520 6.042 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1 516713641 DRSMSJRQGJDBMU-JOCHJYFZSA-N 471.513 5.700 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 516845560 FNDKPSBQUVJTNV-UHFFFAOYSA-N 452.583 5.747 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 517438162 VFXZXQXDJXOUMB-UHFFFAOYSA-N 465.862 5.074 30 20 JKED CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@H](C)c1cc2ccccc2o1 517466833 WQWWLPNIVDHEBX-OAHLLOKOSA-N 489.519 6.006 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 518259343 JANZJYGZSOKEFD-WZONZLPQSA-N 473.577 6.133 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1Oc1ccccc1 518260240 CROBXSSAPRGQKF-MOPGFXCFSA-N 459.571 5.689 30 20 JKED C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1)c1ccccc1 518743298 WCBDIPJOMCNOHH-MOPGFXCFSA-N 479.627 5.373 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 520141514 UKLXRFNQMZVLAV-IAPPQJPRSA-N 483.568 5.290 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 520831156 SGVBFRMDFNMOCJ-XMMPIXPASA-N 473.573 5.034 30 20 JKED Cn1c([C@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccccc2)nc2ccccc21 520960768 OFUXVUKTTZLXMW-GDLZYMKVSA-N 458.565 5.903 30 20 JKED CCN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(F)c(F)c1 521249454 XXWARAXHRABYJK-UHFFFAOYSA-N 457.317 5.514 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)c2)c1 523152643 SKEARIUMJUVECK-UHFFFAOYSA-N 477.480 5.178 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc1 524255520 ZBZWDVIHCPJGAU-UHFFFAOYSA-N 492.604 6.425 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2F)c1 524496595 RTUUSYLXVGWAFD-HXUWFJFHSA-N 490.510 5.298 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 524565556 YTGWLVKLUSALNI-DYESRHJHSA-N 492.567 5.152 30 20 JKED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1nc(O)c2c(-c3cccs3)csc2n1 585688278 BLFJFTNKOUFOLA-GFCCVEGCSA-N 450.614 6.124 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(N3CCCCC3)n2-c2ccccc2)sc2c1CCCC2 590647766 RCVWWURVGAZNNL-UHFFFAOYSA-N 492.674 5.190 30 20 JKED N#Cc1cc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1Cl 603752086 IGEQFBMGMHTZHA-UHFFFAOYSA-N 468.738 5.408 30 20 JKED Cc1nc(-c2ccc(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)s2)cs1 603801872 TZWZYNYDOXPVEQ-UHFFFAOYSA-N 474.611 6.147 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccc(C#N)c(Cl)c3)nnc2-c2ccccn2)c(C)c1 603917890 KLYWRTKGROREJO-UHFFFAOYSA-N 474.977 5.202 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)CCOc4ccccc4)CC3)c2C#N)C1 603948800 LYCASWUKDWOZMX-HXUWFJFHSA-N 493.673 5.417 30 20 JKED C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1Cl 603982693 QBTVKOWKLBWOJM-ZDUSSCGKSA-N 485.915 5.046 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1Cl 603988003 VNAFQQVYWJCPTK-UHFFFAOYSA-N 475.976 5.961 30 20 JKED CCC(CC)[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccs1 604025769 YNRKBQOCIUNVDP-OAQYLSRUSA-N 452.580 5.378 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 604329458 ORNYUHNABSSVJA-ROUUACIJSA-N 456.386 5.340 30 20 JKED O=C(CSCc1ccc(Br)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604520046 YOBMRJAHJXMTSZ-QWRGUYRKSA-N 482.259 5.411 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 608883056 SLBCFNGRSBYHTE-UHFFFAOYSA-N 466.497 5.996 30 20 JKED N#Cc1ccc(N2CCC(NCc3ccc(OCc4ccccc4)c(Br)c3)CC2)nc1 608983048 XSVSTDXNDNNXCX-UHFFFAOYSA-N 477.406 5.053 30 20 JKED COc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1Br 609028598 HVRIEVCQLREYKJ-OAQYLSRUSA-N 451.320 5.031 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 609078600 BUNZZTHFLMBJHX-XMMPIXPASA-N 468.582 6.424 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nnc(-c4ccccc4)o3)cc2F)c1 609104983 RRFXAJCZFCESBJ-UHFFFAOYSA-N 456.477 5.288 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1 609370596 HNMFPQLEBHSXSX-GOSISDBHSA-N 496.662 5.035 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 609378194 TVORIPFVKSEDOG-SFHVURJKSA-N 469.566 5.029 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCCCN(C(=O)C3CCC3)C3CC3)cc2Cl)c1 609433893 JSSUFASLRXLXAV-UHFFFAOYSA-N 480.996 5.093 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 609438531 KZQIUFXMXARXQU-VFNWGFHPSA-N 470.019 5.640 30 20 JKED O=C(NCCCNc1ccc(C(F)(F)F)cn1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612723321 CYRQXTGIUWTCKJ-RYUDHWBXSA-N 480.375 5.111 30 20 JKED C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 613005315 AUVNWFYPHIEAHG-LBPRGKRZSA-N 468.369 5.933 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 615925771 DJMXFRFVSSSJPN-UHFFFAOYSA-N 482.389 5.270 30 20 JKED O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300811 FXKZKJCXLCLNHC-NXEZZACHSA-N 477.302 5.233 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 619365686 HYASBJIGUZVNII-OKILXGFUSA-N 494.407 6.530 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2Br)on1 620847321 UVCJEZVKVHNHIT-GOSISDBHSA-N 494.370 5.938 30 20 JKED O=C(c1cncc(C(F)(F)F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517544 LKPNUMSFQWEBLY-OAHLLOKOSA-N 472.307 5.352 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCc1cscn1)c1nc(-c2ccc(Cl)cc2)cs1 642281684 ACRHBLHUZYPPKO-GOSISDBHSA-N 468.028 6.702 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccccc3-c3ccccc3)C2=O)ccc1OCC#N 725904937 ROBPRLOROWSLFS-XQNSMLJCSA-N 458.564 5.670 30 20 JKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCOCC1)c1nc2cc(Cl)ccc2s1 726323025 WHBJPCWOQLVOTK-INIZCTEOSA-N 475.795 5.637 30 20 JKED N#Cc1ccc(N=c2scc(-c3ccc4nc(O)oc4c3)n2C2CCOCC2)cc1Cl 726392068 ZATQQLWKDXDHTR-UHFFFAOYSA-N 452.923 5.172 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)cc2)cc1 726570491 BDNVWXNCTBIZBZ-UHFFFAOYSA-O 469.417 6.428 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cc(F)ccc1F 729634220 JPIJACVLRMIEIA-QFIPXVFZSA-N 499.514 5.273 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(OC(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 729668919 ALYMNSGYMITBGS-UHFFFAOYSA-O 493.605 5.071 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730460022 SAMMYVTUMFJMSS-SFHVURJKSA-N 481.471 5.079 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730718921 SIZWEAMXMRYTMG-HXUWFJFHSA-N 486.956 5.190 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3cccnc3)C2=O)cc1 730942546 RMZIYFWVHQVVGU-QMHKHESXSA-N 490.560 5.145 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943978 OUMBBPRBSIVBBV-QMHKHESXSA-N 490.560 5.145 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 731078169 MMCATFOYHJZOAD-OAHLLOKOSA-N 469.950 5.114 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)c(C)c1 731078787 QSRVNIBDZUZIAT-MRXNPFEDSA-N 479.627 5.783 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 731400965 ZJJVOCBYIOTNKI-KRWDZBQOSA-N 478.540 5.329 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)Cc2ccc(Br)o2)c1=S 746705384 FEBNZCRSHJHRIH-UHFFFAOYSA-N 483.819 5.277 30 20 JKED C=C(C)COc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)ccc1OC 747064074 SYHZYVLGGQZGJM-YVLHZVERSA-N 459.930 5.630 30 20 JKED COc1cc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)ccc1S(=O)(=O)C(F)F 747067377 VQLONDBNCNABJM-YVMONPNESA-N 499.944 5.277 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3cscn3)C2=O)cc1 747598728 DEDIGQHFXSVUMS-IBGZPJMESA-N 488.997 5.405 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cscn3)C2=O)cc1 747603965 YAWJWZKCGFXICE-NRFANRHFSA-N 498.605 5.150 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)cc1 748481588 FESVRWRHCWLURH-LPHOPBHVSA-N 463.969 5.519 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(Cl)ccc(Cl)c3C2=O)cs1 748583197 DTVWHPZLPVESLS-NTEUORMPSA-N 459.354 6.102 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(OC(F)(F)F)cc1 749101582 DDXKOPBSDFZJON-UHFFFAOYSA-N 463.294 5.872 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccsc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 749104410 KAIILTGINRMKEM-HWKANZROSA-N 467.499 5.397 30 20 JKED COc1ccc(N2C/C(=C\c3csc([N+](=O)[O-])c3)C(=O)/C(=C/c3csc([N+](=O)[O-])c3)C2)cc1 750916229 KSCUCWRXTJPNNE-KGMKFKQSSA-N 483.527 5.191 30 20 JKED Cc1sc2ncn(N=Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)c(=O)c2c1-c1ccccc1 812403558 PNCIQNVWPOKJPR-UHFFFAOYSA-N 472.551 5.952 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(C3CCN(C(C)C)CC3)C2=O)c1 837301599 ACJONNPNDCHHNO-DEOSSOPVSA-N 496.652 5.276 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 837785220 UOPPKDZVNXOJAL-BTYIYWSLSA-N 482.968 5.596 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837835457 RVFJDPKPNUGEIE-UUOWRZLLSA-N 486.597 5.314 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2ccccn2)cc1 838038392 ZURYUWJNULCURX-OPAMFIHVSA-N 495.004 5.465 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(N3CCCC3)n2-c2ccccc2Cl)cc1 857639281 NRGLQVFVQWBRSK-LJQANCHMSA-N 495.052 5.257 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)COc3ccc(C4SCCCS4)cc3)s2)cc1 875069492 YKOPMAMHQHAFFO-UHFFFAOYSA-N 467.641 5.492 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 913118098 MMXZPJDYVRTMLY-OAQYLSRUSA-N 496.589 5.006 30 20 JKED COc1ccc(-c2cc(C(=O)OCCCCC#N)c3sc(N4CCCCC4)nc3n2)cc1OC 914624022 ZVHGNRWCQGVMGB-UHFFFAOYSA-N 480.590 5.216 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C)cc1 914772529 CADOTIANAOAEJE-DEOSSOPVSA-N 491.588 5.441 30 20 JKED CCOC(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 915102511 VHSUXAWMQISUTQ-WFASDCNBSA-N 452.363 5.162 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2cc(C(F)(F)F)ccc2s1 915104635 UTOONGGLDHIUOB-XYUGOERHSA-N 475.536 5.214 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc2ccccc2n1C(F)F 915104641 VAENWUDGCCIENG-SFHVURJKSA-N 457.440 5.148 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2n1C(F)F 915107401 SNCAYNMCNOCKGK-WIYYLYMNSA-N 492.913 5.822 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCC(C)C 915785643 RWQQQQUPKCNUPX-NBGIEHNGSA-N 485.584 5.201 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1nc(-c2ccccc2)cs1 915797731 ODWQHMYQPUVUBW-FQEVSTJZSA-N 468.563 5.982 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(OC)c1 916205075 FBRPWGFEKNTMQW-DEOSSOPVSA-N 491.613 5.235 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 916205200 MJILPOBAVOMEKH-HXUWFJFHSA-N 468.941 5.035 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCc2ccccn2)C1=O)Nc1ccccc1F 916213126 ZIONFSAATBIMQD-OAQYLSRUSA-N 482.968 5.077 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(C(=O)OCc4ccccc4)CC3)c2)cc1 916452125 UWHHJIVVGOKMKU-UHFFFAOYSA-N 483.568 5.319 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 916908731 DMYDMAWERQWWHB-HXUWFJFHSA-N 463.877 5.564 30 20 JKED Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2C)c1 916911016 UOYODTKHNNWVBV-JOCHJYFZSA-N 450.498 5.243 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc12 916946503 WTQDEAPYAGOOGM-ZDUSSCGKSA-N 481.133 5.207 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)NC1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996752 POEPCSBYRAMQCK-KRWDZBQOSA-N 479.433 5.705 30 20 JKED CC1(C)CC(/C=C/c2ccccn2)=Cc2c1sc(NC(=O)CN1CCC[C@@H](c3cc[nH]n3)C1)c2C#N 917173489 BKASSLXDQHCKHY-NDDJGDGRSA-N 498.656 5.334 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cc(Br)c1OC(F)F 917540412 NYQATGOISITYBF-UHFFFAOYSA-N 489.729 5.142 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cs1 917564062 VSYFLKHVFYPXHD-UDWIEESQSA-N 462.600 5.645 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@H](C)c2ccccc2)cc1 917608809 BWACYHPMQQTLOQ-OAQYLSRUSA-O 488.677 5.895 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC)cc2)c1 917685228 WRXQMBRJMCPHHJ-XMMPIXPASA-N 489.597 5.002 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1C#N 917704230 HKBOBBDSIUJMOC-NRFANRHFSA-N 485.009 5.371 30 20 JKED C[C@H](Cc1ccccc1Cl)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 918268561 FHDAMXYOOTWFPA-IIBYNOLFSA-N 466.368 5.335 30 20 JKED Cc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1NC(=O)c1ccccc1F 918321641 XAOSPIJVKSULLX-UHFFFAOYSA-N 470.529 5.558 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)c4c(C)[nH]c5ccccc45)cc3)o2)cc1 920102324 SBQJLNYZROJRKE-JOCHJYFZSA-N 460.493 5.707 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2c1C 920108625 UXUXJMHCRUIPRQ-OAHLLOKOSA-N 492.598 5.453 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(Br)cc4)CC3)n2)cc1 920142905 NIRCNZABYTXEBM-GOSISDBHSA-N 453.361 5.489 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cc(C)on2)c(C)c1 920353151 BUEMBKZMLPCSQC-NRFANRHFSA-N 484.528 5.039 30 20 JKED COCc1nc(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)cs1 920843089 VDNCNWSTYLAJQS-LJQANCHMSA-N 468.560 5.124 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 920866825 KEGIUKXOHYENGZ-KXBFYZLASA-N 493.601 5.244 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)COCC(F)(F)F)C2=O)c1 921254184 OCKJXRNFOMBARO-FXAWDEMLSA-N 493.551 5.231 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)cc2)CCC1)C(F)(F)F 1786632931 ARWZXEWSHSFEHB-OAQYLSRUSA-N 485.550 5.151 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc(C(F)(F)F)n4)cc3)CCC2)cc1 1786854243 FOFSSSSZYFTHSZ-UHFFFAOYSA-N 492.501 5.157 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1 1787287433 YOQAZWYURJUOIC-QFIPXVFZSA-N 495.645 5.193 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)c1 1787354003 WDFGAURGEDPJIG-UHFFFAOYSA-N 482.437 5.173 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3csc(C)n3)cc2)CCC1)NC(=O)OC(C)(C)C 1787528665 DOJNVYAGEKQJDA-HXUWFJFHSA-N 498.649 5.059 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccc(F)cc4)cc3)CCC2)c1 1787728482 WMVFATLZHNXXCE-LJQANCHMSA-N 471.532 5.279 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)C[C@@H]21 1788734884 KIVDVYIFFXCNBD-DPZBCOQUSA-N 499.655 5.192 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Sc3cccs3)cc2)CCC1 1789416918 XZDYMCUZNFMBKB-IRXDYDNUSA-N 459.637 5.164 30 20 JKED Cc1ccc2c(/C=C/C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)c[nH]c2c1 1789579350 GBGIIKCXFYKXJB-YMRVVSSESA-N 480.568 5.336 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)C[C@@H]4OCCc5ccccc54)CCC3)cc2)ccc1F 1790521477 LUWBXNHISQEBBG-MHZLTWQESA-N 497.570 5.078 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5c(Cl)cccn45)CCC3)cc2)cc1 1790706088 BEXJFPVDCBMKLA-UHFFFAOYSA-N 483.959 5.115 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1 1791106838 QVGQFSBOBKXWBD-HXUWFJFHSA-N 498.583 5.110 30 20 JKED Cc1nc2ccccn2c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123620 NDZFWUXAXJYSOS-IBGZPJMESA-N 477.568 5.331 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cs1 1792168239 CIPLGJPVUHAPNP-UHFFFAOYSA-N 474.586 5.172 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205313 WBGFMRGZMVURQV-XPWALMASSA-N 481.637 5.026 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3CSc3ccccc3)[C@@H]2c2cccnc2)C1 1802414191 YRYHWHBWHPFUJF-QDPGVEIFSA-N 497.664 5.660 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)[C@H]1c1cccnc1 1803081412 JOHDXWHGCMVVLX-VPUSJEBWSA-N 471.645 5.368 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1804211848 IYEHSNSLGLAQHY-BKMJKUGQSA-N 498.067 5.592 30 20 JKED CC(C)CN(CC(C)C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)C(C)(C)C#N)C2)CC1)c1ccccc1 1805050675 PRRFYRVXAPMTKL-AREMUKBSSA-N 494.724 5.123 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CSc3ccc(F)cc3F)C2)CC1 1805928470 FJPOHMDFTTWXCF-HXUWFJFHSA-N 462.606 5.057 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1807838002 FLRLHZBJUPNAAD-UHSQPCAPSA-N 494.639 5.540 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)CCC4CCCC4)C3)CC2)ccc1Br 1808954253 QAFPNTIRHMMVEB-UHFFFAOYSA-N 486.454 5.136 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC#N)cc3)CC2)C1)c1ccccc1 1809162844 OMHJOINRJYCERS-HOFKKMOUSA-N 471.645 5.427 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810491655 GEOMOHVOZOPBLY-HOYWAMICSA-N 499.577 5.812 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1810681524 FMDUUHKBGZVWBQ-SIKLNZKXSA-N 457.977 5.186 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810718562 KPNXJBDLGFCDEY-KCWPFWIISA-N 487.625 5.113 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)cc2c1 1811420734 WMJHXUXWVSHWTH-FNZWTVRRSA-N 497.986 5.030 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811868436 JCRXYXXJQUMRKW-ZJSXRUAMSA-N 496.533 5.060 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1812592172 QPIJHWGPWXGIMI-BTCOZLQPSA-N 451.954 5.013 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(SC)cc2)[C@@H]1c1cccnc1 1813237799 ZEGLOFJYXSDNMN-DHLKQENFSA-N 465.663 5.044 30 20 JKED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1)c1ccc(Cl)cc1 1814660422 LWPVCRFPPXUCIS-KSFYIVLOSA-N 461.953 5.044 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1)c1ccccc1 1815020115 JQRUVVNNDAOVFI-JTHBVZDNSA-N 482.575 5.425 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)n[nH]2)cc1 1816202974 MSFFEXAVGRWNCR-VWLOTQADSA-N 496.546 5.230 30 20 JKED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)[nH]n1 1816746376 DITWXIHAEGVKPZ-QHCPKHFHSA-N 479.540 5.575 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817744158 MFUYTFXDLPHEJC-XXBNENTESA-N 457.578 5.298 30 20 JKED CCC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)n1cccc1 1818059655 HFZWUMAJXSCPLB-RTWAWAEBSA-N 478.984 5.084 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818117312 ISNRDFMFTOGDFU-ZGKFYVQTSA-N 482.993 5.178 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818605556 NEJDAPLBYXRDTI-OAQYLSRUSA-N 463.969 5.111 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1)c1ccc(O)cc1 1818632980 RLADEPGGLQUFKV-HYBUGGRVSA-N 496.567 5.365 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384662 VMHVYHBNLNAYKS-IBGZPJMESA-N 486.714 5.227 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)[nH]n1 1819554266 PBEBORNZQKHYNK-INIZCTEOSA-N 465.520 5.065 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1 1821149195 OREGUIJZYPOCFJ-XMMPIXPASA-N 485.588 5.273 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cncc(-c3ccccc3C=O)c2)n[nH]1 1821727342 ICUPBHZWUFCAIS-VWLOTQADSA-N 499.615 5.583 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)[nH]n1 1821922099 YTQWWCZSEJPCPV-IFXJQAMLSA-N 484.398 5.172 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1 1821926103 IQXGTQSSJTYKIW-DENIHFKCSA-N 454.640 5.246 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)[nH]n2)c1 1823210788 IMAVWKHVIVHOFW-KFPIWXPPSA-N 485.563 5.285 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)[nH]n2)c1 1823212050 KZOVNLHXOWYCBX-HNAYVOBHSA-N 473.499 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3OC(F)F)[nH]n2)c1 1823216392 TWYWWUDSXINTQL-HRAATJIYSA-N 493.514 5.258 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1823676427 YZAAIABVCDPWDE-UZUQRXQVSA-N 499.442 5.563 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(OC(F)(F)F)cc3)CC2)C1 1823703000 JHXPPHJNPDIORN-QHCPKHFHSA-N 478.555 5.104 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1824140944 BMRSVGOIKUTFHN-AREMUKBSSA-N 491.632 5.352 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1824509532 BELRSFLPJGMHGS-CPJSRVTESA-N 489.616 5.252 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1 1824762833 RKEPSWLJIYTRRJ-JWQCQUIFSA-N 497.680 5.006 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1824959420 ZCJBFHPCIMACNG-IBGZPJMESA-N 477.095 5.707 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2coc(C(C)C)n2)CC1)c1ccccc1 1825419121 MYOPRXGFOBXSBN-AHWVRZQESA-N 475.633 5.229 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cn1 1825751055 WOSWMHGXVSDGRS-DEOSSOPVSA-N 498.549 5.082 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1)c1ccc(O)cc1 1826262186 CEMGERGODPWRQM-VPUSJEBWSA-N 464.650 5.089 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)CC1 1827169187 PMQMLWIIUIUEIL-SQHAQQRYSA-N 461.650 5.489 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828199674 KGWGSLDZGKPGCO-MHZLTWQESA-N 486.015 5.173 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc12 1828581700 QLGXYQCOALPNEJ-PIKZIKFNSA-N 482.628 5.651 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1828827086 HGPPATHIAVRCON-MBSDFSHPSA-N 464.984 5.620 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1829005226 WRSOZMQJOZMWIF-AVKMWPRFSA-N 473.617 5.116 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cncc(C)c2)CC1)c1ccccc1 1829029467 BCEBZJVCAQKQET-VMPREFPWSA-N 485.672 5.140 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cc(C)ccn23)CC1)c1ccccc1 1829035214 MQBQDTOMIDCOJY-KAYWLYCHSA-N 496.655 5.073 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccn3c(C)cc(C)nc23)CC1 1829070546 JNXXDAMEDRWTLI-XMMPIXPASA-N 464.654 5.177 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)CC1 1829279539 IDMFHJYHIDBTRN-JOCHJYFZSA-N 467.635 5.405 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Br)c(Cl)cc3C)CC2)C1 1829648879 UJZLNSCARIDZJW-QFIPXVFZSA-N 493.873 5.610 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1829691779 RBDGHZRZVMZJMA-DVECYGJZSA-N 464.009 5.249 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=N/N3CCCCC3)CC2)c1 1830169187 HVTCQDMBTHOTQF-NOJQWQQXSA-N 494.724 5.053 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)cc1 1830628601 TWUHOWRCJILVHC-MUUNZHRXSA-N 483.656 5.498 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1830720939 NWMOVSXEYZNSND-MHZLTWQESA-N 489.591 5.033 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)cc3F)CC2)c1 1830773766 PIJIWLRELUJBDS-MHZLTWQESA-N 491.607 5.340 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1)C(F)(F)F 1831452859 DWAVYKIHRRPIHW-IBGZPJMESA-N 472.935 5.091 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)Cc3cccc(Br)c3)CC2)C1 1831715349 FDIXZZHHJCUFAN-CYFREDJKSA-N 487.482 5.214 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 1831740680 JCXRRFKBBUDANT-GDLZYMKVSA-N 499.655 5.485 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1832633089 CBUONAHGARYFBF-CLOONOSVSA-N 495.570 5.462 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832714309 JECKHVWCEBLEPQ-JHDYRUHQSA-N 494.394 5.078 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(CC)CCC2)CC1)NC(=O)OC(C)(C)C 1832754176 UJZNFMSTXCHLMU-GOTSBHOMSA-N 489.701 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ncccc34)CC2)c1 1832866077 JBWPAJUHBSJVRD-IDISGSTGSA-N 497.643 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4nc(C)sc34)CC2)CC1 1838210627 QDOJGYVEFRXZKH-UHFFFAOYSA-N 483.678 5.209 30 20 JKED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845546975 URRLHKWHARVXHW-FDAWAROLSA-N 493.563 5.161 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc3C2)nc2scc(-c3cccs3)c2c1=O 11382127 QEHKMXWDJHBGJQ-INIZCTEOSA-N 493.679 5.438 30 20 JKED COc1ccc(/C=C2\N=C(SCc3ccccc3C#N)N(c3cccc(OC)c3)C2=O)cc1 14639863 MTLHEKVAMMDZMM-OYKKKHCWSA-N 455.539 5.253 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 15247858 LHCVRJUKPVJYIS-UHFFFAOYSA-O 465.614 6.385 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2cc(Cl)ccc2c1=O 17674031 GVARECDZUDOMGI-LBPRGKRZSA-N 469.910 5.047 30 20 JKED Cc1oc(NC(=O)COC(=O)c2cc(-c3ccccc3C(F)(F)F)nc3onc(C)c23)c(C#N)c1C 21596983 SQLNQHLFROJPAG-UHFFFAOYSA-N 498.417 5.094 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22693138 NQHBDQRSCSFUSA-UHFFFAOYSA-O 497.640 5.311 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 22726144 HZLAXNUIWOVCJL-UHFFFAOYSA-N 470.023 5.539 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)COc3ccc(Br)cc3Cl)s2)cc1 23121751 NSUHXEWTHZORFB-UHFFFAOYSA-N 495.811 5.135 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(Nc2ccc(C)c(C)c2)s1 23208873 PKJLGGUVMOTYLI-QGZVFWFLSA-N 467.620 5.335 30 20 JKED CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 24569534 YUDMONQTFRVNQN-UHFFFAOYSA-N 496.640 5.161 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(CN(C)C)cc2)c1 29953608 VIACDULBQSZLNG-UHFFFAOYSA-N 484.021 5.035 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)c1 36791414 JYKSBAMSIRXLQL-UHFFFAOYSA-N 460.603 5.167 30 20 JKED CC(C)c1ccc(-c2noc(CCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)n2)cc1 108023798 YTPSCCXODSCJDL-UHFFFAOYSA-N 482.559 6.032 30 20 JKED CN1CCN(c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c(C(F)(F)F)c2)CC1 482812653 MSLOHZSLPALCOP-UHFFFAOYSA-N 480.490 5.373 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2C)nnc1-c1ccc(Cl)cc1Cl 486070622 PUPFVUMSWFQFJH-UHFFFAOYSA-N 490.416 5.436 30 20 JKED CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)cs1 500022623 DEVLPZACMXWFTK-UHFFFAOYSA-N 478.593 5.202 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)o2)cc1 501446684 CFYNTVJLJQZLJL-UHFFFAOYSA-N 450.494 6.047 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 502355582 QOOSHHMJNMXMHL-HRAATJIYSA-N 479.964 5.904 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 504711155 HBAMVSKZYFVHJQ-MRXNPFEDSA-N 450.564 5.012 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(-c2ccc(C(N)=O)cc2)n1 505895524 XXNYWOLTNSDVTO-UHFFFAOYSA-N 498.033 5.211 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)c12 508198704 XZHLFUNLWMYNBH-GOSISDBHSA-N 458.543 5.675 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 508271777 DYDTUQRRSUDAEY-SANMLTNESA-N 471.513 5.403 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)N2CCCC2)cc1 508290033 QUBLPMYZYJCVGO-VWLOTQADSA-N 486.572 5.326 30 20 JKED N#Cc1c(NC(=O)c2cc(F)ccc2I)sc2c1-c1ccccc1CC2 508977452 KNFGQEHHYAKMIK-UHFFFAOYSA-N 474.298 5.381 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)c1 509209186 GPOACKKJTHSANG-QFIPXVFZSA-N 484.600 5.251 30 20 JKED CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC)[C@@H](C)c1ccc(C#N)cc1 509571401 LPXBNWKLMJQKJH-HNNXBMFYSA-N 488.444 5.845 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 510665259 KGJAIQCANAVPAZ-UHFFFAOYSA-N 470.529 5.242 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)s1 510859068 ZCZQQXXEVVPACE-UHFFFAOYSA-N 460.559 5.019 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)c2)c1 511463254 QEDWAYCTRGTDAF-UHFFFAOYSA-N 463.541 5.703 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)cc1 513655863 VHEHZSBUXOPWPC-KRWDZBQOSA-N 457.511 5.228 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 515746596 QJKXJELNHTXFOX-XMMPIXPASA-N 468.582 5.143 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 516456653 LTMSQOFHCFWCSJ-UHFFFAOYSA-N 486.355 5.343 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)n1 517917929 BCEPTQBTXVEDNY-QGZVFWFLSA-N 470.934 5.051 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 518078703 IZISTMHSLFWCEK-UHFFFAOYSA-N 480.387 5.069 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cc(Cl)ccc1Cl 518667059 PUGCBZYRHMAEEK-NSHDSACASA-N 462.324 6.457 30 20 JKED CCCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)c1ccccc1OC 521221673 RFQZTIQQCMZZCK-OAQYLSRUSA-N 457.574 6.345 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(-c2nc(C)cs2)c1 522552734 CSPDZGQFPZPVCN-UHFFFAOYSA-N 472.364 5.169 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 524389688 WUZXJBAXBWEAFH-UHFFFAOYSA-N 470.504 5.596 30 20 JKED CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 524578933 DHZBUZQKOOCWRI-HXUWFJFHSA-N 473.404 5.246 30 20 JKED CCc1c(C)sc(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c1C#N 556339278 AZIXACYIOMHKBG-UHFFFAOYSA-N 454.602 5.941 30 20 JKED Cc1c(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cnn1-c1cccc(C(F)(F)F)c1 568426314 XYUHQEVYXPKNDG-GOSISDBHSA-N 468.357 5.093 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)c1 589384738 JWZYTFJFIIFPNK-UHFFFAOYSA-N 480.586 5.036 30 20 JKED N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c(C(F)(F)F)c1 602759534 MDFZEAIMJVULBK-QFIPXVFZSA-N 451.404 5.072 30 20 JKED CCn1c(SCC(=O)N(CC(C)C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 603528954 BRYFSYUSIYNKQK-UHFFFAOYSA-N 453.999 5.271 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)nc(O)c2c1C 603621935 DRPXGTAAMMELAO-HNNXBMFYSA-N 491.598 5.333 30 20 JKED Cn1cnnc1Sc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 603824439 AZQSWMKJUAAAHJ-OAHLLOKOSA-N 496.961 5.141 30 20 JKED N#Cc1cc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)ccc1Cl 604023537 ZWDSALSYHBOTKT-UHFFFAOYSA-N 452.388 5.043 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 604452648 HWQMDLQQOBLPCS-UHFFFAOYSA-N 494.517 6.582 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604507226 CPOFOMOUIBFGDF-LJQANCHMSA-N 482.565 5.536 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1F 609207013 NCJWBPREJOWDDN-UHFFFAOYSA-N 461.493 5.574 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)sc2n1 613320246 VGMFYBUHFKFFAY-CQSZACIVSA-N 484.990 5.422 30 20 JKED CSc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1NC(C)=O 613344313 FJFDFBBTNJCBFT-HNNXBMFYSA-N 476.410 6.287 30 20 JKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F 613403589 HDKIPAQNKUYYSW-OAHLLOKOSA-N 460.469 5.231 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 615080574 IUBHVHPLWLVHJL-UHFFFAOYSA-N 454.979 5.799 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CC[C@H](C)OC)C2=O)cc1Cl 726397265 HILKOUOOMGOMKS-KKSFZXQISA-N 490.025 5.042 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc(OC(C)C)cc3)C2=O)cc1OCCCC#N 726630999 ZMECYHITXOJBHE-JCMHNJIXSA-N 468.600 5.571 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccccn2)cc1Cl 726892927 XEYAKTSYAKPIOO-QFIPXVFZSA-N 495.004 5.213 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3Cl)n2)n(C2CCCC2)c1C 727562874 HXHFFJVWWLHKOR-UHFFFAOYSA-N 482.993 5.664 30 20 JKED CC(=NNc1ncnc2c1c(Br)nn2C)c1sc(-c2ccc(Cl)cc2)nc1C 727651402 WVSMUHVXFFRJFC-UHFFFAOYSA-N 476.791 5.047 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 728075124 XQFJAMMSMHAEBR-MNDPQUGUSA-N 498.564 5.690 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cs1 728346080 BGYXKXYDCKNPOO-JOCHJYFZSA-N 480.977 5.065 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 728393004 PYBKDZBIFLDDJG-INIZCTEOSA-N 474.948 5.192 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C2CCC2)c1 730461933 UUQWWONMKZFPKJ-DEOSSOPVSA-N 486.597 5.311 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(C(C)C)c1 730728122 YSCFJXWEPIEXHQ-IBGZPJMESA-N 479.631 5.130 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1cccs1)c1cccs1 731312761 RSIDCAACNBABTL-FURLQJKTSA-N 499.683 5.536 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 746698168 WIZGIIYQXVQXFM-NRFANRHFSA-N 492.016 5.565 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(OC(F)(F)F)cc1 746971513 CNTWFAXSEWPNMV-KRWDZBQOSA-N 485.434 5.010 30 20 JKED C=C(C)COc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)ccc1OC 747041909 KYFSVCMQHJHWPH-UHFFFAOYSA-N 452.580 5.115 30 20 JKED C=CCc1cc(/C=C(\Cl)c2nc3cc(-c4ccc(OC)cc4)sc3c(=O)[nH]2)cc(OC)c1O 747063121 BJGAEVDAIDEQLF-WQRHYEAKSA-N 480.973 5.840 30 20 JKED C=CCOc1ccccc1CN(C(=O)Cc1csc(N2CCCC2=O)n1)c1ccc(C)c(C)c1 747574537 WNIBDIVZJUYBDV-UHFFFAOYSA-N 475.614 5.227 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1nccs1 747602258 KAWKUUQKJCBPPY-LJQANCHMSA-N 482.606 5.102 30 20 JKED N#Cc1ccsc1C(=O)OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 748100206 YTVMEJVKECXXMV-UHFFFAOYSA-N 477.542 5.273 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1=S 749670581 BBGKQTNHEMPUQU-GOTSBHOMSA-N 497.709 5.260 30 20 JKED C[C@H](NC(=O)CC1CCCCC1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 750398923 WOLSXTDEFDRFLX-GUYCJALGSA-N 464.418 5.768 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 751083114 HJEHSZVVIIVPAM-QFIPXVFZSA-N 453.523 5.375 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2occc2-c2ccccc2)n(Cc2ccccc2)c1C 763179502 DLWYQFYMLSJQDG-UHFFFAOYSA-N 453.498 5.080 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 812404421 CUQIGWIMYOKTFZ-UHFFFAOYSA-N 472.438 5.015 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N([C@@H](C)c2ccccn2)C1=O 837404306 ZPDGMAXZWGBTFT-YADARESESA-N 488.613 5.429 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3ccccn3)C2=O)c1 837826523 LNTAJAYQWANHCQ-JPYJTQIMSA-N 493.032 6.073 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccs1 838486662 QVHYCXXHROLWHP-FQEVSTJZSA-N 469.563 5.056 30 20 JKED C=CCOc1c(Br)cc(CNc2cccc([S@@](C)(=O)=NC)c2)cc1OCC 864014261 JKQQYFPQKWECMK-HHHXNRCGSA-N 453.402 5.111 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3cccc(Br)c3)no2)nnc1-c1ccco1 904294304 KKNDDDHAEGKPEK-UHFFFAOYSA-N 458.341 5.219 30 20 JKED C=CCn1c(SCc2nc(-c3nccc4ccccc34)no2)nnc1-c1ccc(Cl)cc1Cl 904594759 SNBNOMJFRCFMSL-UHFFFAOYSA-N 495.395 6.328 30 20 JKED C=CCN(Cc1ccccc1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1=S 914570429 KJAAPFGWBGISEO-OAQYLSRUSA-N 459.619 5.387 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2cccs2)c1 914691062 LCFAQDZBVFSFHG-KSFYIVLOSA-N 497.617 5.487 30 20 JKED CS(=O)(=O)c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccc(Br)c2)cc1 914835535 IZFWWRSTVLSTOF-UHFFFAOYSA-N 495.402 5.151 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 915085221 IVNOHDGNNSEREV-QHCPKHFHSA-N 456.933 6.007 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@@H]2CCCC[C@@H]21 915187779 ZVKHKSQQUYUTDH-OSPRVTPDSA-N 493.607 5.763 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 915353312 MUOUHOPEECEBPC-HSZRJFAPSA-N 492.501 5.351 30 20 JKED CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915353753 QKXMZVXYYQMEDH-QFIPXVFZSA-N 497.555 5.062 30 20 JKED CCOc1cc(C#N)ccc1OC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 916038901 MNFXVTWRKKYLHK-UHFFFAOYSA-N 479.330 5.120 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1F 916211240 LQICVVMCEFJLCT-OAQYLSRUSA-N 451.498 5.125 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccc2)C1=O 916212531 OKZISOFAUVPZEG-QFIPXVFZSA-N 479.989 5.509 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cccc2ccccc12 916217886 XZFWTGLWEOIEBD-QHCPKHFHSA-N 475.570 5.003 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=C/C=C\c1ccccc1[N+](=O)[O-] 916272607 DSVFXDDMLGWJAO-JHQMEBMOSA-N 450.907 5.542 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC(F)F 916905355 NVZGWXFQERZXAI-QGZVFWFLSA-N 452.413 5.050 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916907318 LWZJFUXKXJWTRF-JOCHJYFZSA-N 499.661 6.675 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996077 JXDCCRLCSZAFEB-GJZGRUSLSA-N 460.317 5.558 30 20 JKED CC1(C)CC(/C=C/c2ccccn2)=Cc2c1sc(NC(=O)CN1CCC[C@H](c3cc[nH]n3)C1)c2C#N 917173488 BKASSLXDQHCKHY-IBDYFIJFSA-N 498.656 5.334 30 20 JKED CSc1nc(O)c(C(=O)N[C@@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)cc1C#N 917338772 KTVLFKMPHRFFNA-LJQANCHMSA-N 486.519 5.306 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 917506797 HTPARKXVBFXOBW-HXUWFJFHSA-N 498.457 5.825 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1cc2ccccc2o1)[n+]1ccc(Cc2ccccc2)cc1 917611966 ALIQEFXUOIZYPF-UHFFFAOYSA-O 488.592 6.506 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(Cc2ccc(C#N)cc2)C1=O 917674135 NHMHJKIOWCCTRF-VWLOTQADSA-N 498.608 5.344 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC 918262684 BHUAQSXALDUJOI-GMAHTHKFSA-N 461.949 5.210 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2ccc(-c3ccccc3)[nH]2)n(C2CCCC2)c1C 919602161 YKSTWECXVFPOOR-UHFFFAOYSA-N 458.562 5.201 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccccc2Br)o1 920104444 SEAYEAJMJKAHMP-QGZVFWFLSA-N 476.330 5.418 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2ccccc2s1 920105653 CCAQYWGTESQWEO-CJNGLKHVSA-N 453.976 6.103 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920355127 KZLMINWXWXQJHL-FQEVSTJZSA-N 468.966 5.105 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C(C)C)c2)no1 920359053 GRGJAZPQHZNZQE-QFIPXVFZSA-N 480.565 5.406 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)COc3ccc(C4SCCCS4)cc3)n2)cc1 921233699 LWNQNJIDYKDHHL-UHFFFAOYSA-N 453.614 5.568 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC(C)(C)C3)CCC2)cc1 1786546698 UTFPLMWUVCUEBK-NRFANRHFSA-N 469.626 5.026 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cnoc4C4CC4)cc3)CCC2)cc(C(F)(F)F)c1 1787597788 HMRXQTPOHOSHJF-UHFFFAOYSA-N 494.473 5.504 30 20 JKED CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649306 DBVKUDZTSOXZIF-OUKQBFOZSA-N 477.586 5.184 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CCC1 1789776011 KAADYGZGKGMLEF-UHFFFAOYSA-N 457.502 5.362 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1 1790650798 DMABQDWCGOPFTA-OAHLLOKOSA-N 464.459 5.183 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4csc(Br)n4)CCC3)cc2)cc1 1790707626 NGKCHLUBCQPDGJ-UHFFFAOYSA-N 495.402 5.033 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)CCC3)cc2)c1 1790764175 ZULZPHDXWZLJPH-CCDWMCETSA-N 483.568 5.333 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1 1791730473 LPRKLAIMQRAANC-UHFFFAOYSA-N 479.580 5.502 30 20 JKED C[C@@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1791909296 LXCXHKGOKKSSQJ-FQEVSTJZSA-N 455.558 5.097 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5n[nH]cc5c4)CCC3)cc2)cc1C#N 1792168463 DPBPRHQWXJWEQD-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C/C(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206741 QKYUWHKCUHPMQK-RCJYHZQCSA-N 469.626 5.192 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C 1793475066 AUYGJIORXIBRLE-JTOYRKQZSA-N 497.680 5.191 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1Cl)C2)c1ccccc1 1795572913 IXLZZECNBSFXEC-KNGJJONBSA-N 464.009 5.293 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(F)c3s1)C2 1798419764 ICUJEHNGHLHNCR-ACDBMABISA-N 470.686 5.343 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)cc1 1800279929 LOSNXFOWMALOHN-XUJYPJAKSA-N 485.534 5.322 30 20 JKED Cc1cc(Br)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C2 1800361055 KBLMPYVQRNUSJC-WKCHPHFGSA-N 489.530 5.060 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)Cc3ccccc3Cc3ccc(F)cc3)[C@H]2c2cccnc2)C1 1802414290 QIEVFLHPYKJIQG-VIZCGCQYSA-N 497.614 5.026 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1803081778 HWPHTEKCDNVXDG-OZXSUGGESA-N 466.025 5.142 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 1803870549 GLRATNCRBUMEGV-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(F)cc3C(F)(F)F)C2)CC1 1806503651 RZSRYUHBCMOZRH-UHFFFAOYSA-N 480.546 5.387 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1807202155 ZGUQVKAPBWBBIG-ISKFKSNPSA-N 496.449 5.241 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1810502865 MKTVZCGBRDWKKA-YKSBVNFPSA-N 484.040 5.446 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccnc1 1810505452 UXYBDIFKPSQUKC-ZCYQVOJMSA-N 463.622 5.182 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810923218 HIQRFXRGGXICNI-GCJKJVERSA-N 491.529 5.552 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811538754 NWYWGYNVKXHPTJ-ABYGYWHVSA-N 465.597 5.180 30 20 JKED Cc1cc(F)c(F)c(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1811971368 AXHRSDZWOGZVBL-QFQXNSOFSA-N 497.662 5.039 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1812671467 CEFXYFOMLDJEAS-RRPNLBNLSA-N 499.561 5.012 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1812957794 GBULTHXIVPFNLC-PQHLKRTFSA-N 494.639 5.248 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)Sc3ccccc3)n[nH]2)c1 1815096491 PKVTYCJBIOHLTF-WZONZLPQSA-N 473.602 5.077 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1815248078 ZNAWQDNQTVQIAJ-CRAIPNDOSA-N 499.862 5.086 30 20 JKED CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC#N)n[nH]2)cc1 1816746482 HHICOAOCWPAPHJ-AUSIDOKSSA-N 493.608 5.002 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(-c3ccccc3)c3ncccc23)n[nH]1 1817797107 YROIAWNAMYTSTM-RUZDIDTESA-N 494.599 5.248 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)[nH]n1 1819310149 SLBPZDOUNWPZSM-FBMBZYNCSA-N 489.664 5.300 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)[nH]n1 1819553554 LOVWHPRTGRIHGO-QFIPXVFZSA-N 452.599 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)[nH]n1 1819555408 FTYBORZOASIMPE-GOSISDBHSA-N 463.504 5.122 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)[nH]n2)cc1 1820547729 YOTVVACULFNGQH-QFIPXVFZSA-N 472.936 5.036 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)c(F)cc3F)n[nH]2)c1 1821067146 ALNBIQFUQNJUFF-JLCFBVMHSA-N 481.478 5.074 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821127185 HPFIGDDJMKJRBN-LJQANCHMSA-N 480.918 5.581 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 1821182017 WYSMGXYBCVXOGH-AREMUKBSSA-N 496.615 5.086 30 20 JKED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4c(ccc5ncccc54)s3)sc2C1 1821182984 YCULWFIQFYQUJN-AWEZNQCLSA-N 494.667 5.051 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3sccc3c2O)n[nH]1 1821506276 OAHZUAIHAAURPZ-IBGZPJMESA-N 466.607 5.628 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821522613 KIPJMTXHWGDMIY-NRFANRHFSA-N 489.601 5.376 30 20 JKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(OC)c3)[nH]n2)CC1 1822101779 XGAOARGNAKYDLD-WXVUKLJWSA-N 477.609 5.202 30 20 JKED C[C@]1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CC=CCC1 1822981927 XAZVOVPCJYFIKX-YKSBVNFPSA-N 496.409 5.096 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ncc[nH]4)cc3)n[nH]2)c1 1823271173 PQXKHBWLSBXBGU-HOYKHHGWSA-N 493.571 5.047 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CCCC3)[nH]n2)CCC1 1823380946 VABMZBSJLCYIKB-NRFANRHFSA-N 480.012 5.261 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 1823681857 BMBNTJQQUOMNCF-OAQYLSRUSA-N 470.038 5.139 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)cc1 1823685428 XBSPQYASYWZWAI-SANMLTNESA-N 469.585 5.171 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823978165 WDVUSBGLYSNQLC-CLOONOSVSA-N 464.009 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(F)c(F)c2)CC1 1823978871 OLSRNJVKAMJTAN-RDGATRHJSA-N 458.593 5.286 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc(Cl)c2)CC1 1824137157 BQLPTPUARTYGGW-DEOSSOPVSA-N 459.030 5.107 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)CC1 1824154211 ZHBMFTNCHZNCCF-AREMUKBSSA-N 479.665 5.184 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1824504237 NRXFRNAHWFXWHO-AUSIDOKSSA-N 485.024 5.424 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1 1826002899 ZSIUJKNRGNGRKP-FDDCHVKYSA-N 498.549 5.275 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827264585 IPXHPGMQFMFRQZ-HSZRJFAPSA-N 492.044 5.235 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccco4)no3)CC2)c1 1827420258 HWOWPZMBRWHIEF-CYFREDJKSA-N 486.572 5.109 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828159370 FZMORZCKWXBQFF-NRFANRHFSA-N 473.013 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CCC(C(=O)OC)(CC2)CC3)CC1 1828459825 HMAGOGISHSVKAY-XPCYEKABSA-N 486.697 5.112 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnccc2C(F)(F)F)CC1 1828821743 RXSVXUJMMCWZKB-UPVQGACJSA-N 491.598 5.421 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1828826704 AOYYLQJGCRAFTF-REWPJTCUSA-N 462.556 5.707 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1828827824 VWXRTHOCKBGXOA-QPPBQGQZSA-N 473.608 5.033 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC#N)CC1)c1cccc(NC(=O)OC(C)(C)C)c1 1828889835 DREFIYDJXSAFAW-RDPSFJRHSA-N 496.652 5.061 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685449 GYKYKYRAUQFAAB-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829692910 PSDQUBWZDNBZDO-CLOONOSVSA-N 489.019 5.386 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829973620 IPDGQGHQHQYNGX-VQTJNVASSA-N 457.467 5.181 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1830017488 ZNOGWXIMIFNOHO-RUZDIDTESA-N 476.020 5.177 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)CC1 1830465358 LVJYRVRFKZCKSR-JYFHCDHNSA-N 495.067 5.527 30 20 JKED Cc1cc(Br)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1830501626 CCMNBHIWXFNMBC-DEOSSOPVSA-N 494.433 5.176 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c(Cl)c1 1830724569 UPMLXXVHOIWZDO-NZQYTBKXSA-N 468.041 5.415 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)c1 1831226704 ZEHSVWKSYWFODL-BWKNWUBXSA-N 494.010 5.314 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1831373059 MQEHAINPOKYTCJ-BVZFJXPGSA-N 468.041 5.642 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1831843010 TYBBKACCWAWTPA-RDPSFJRHSA-N 475.658 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](C#CC)c2ccc(O)cc2)CC1 1831926563 VDZLYJFKPZOHAT-BIYCFNCWSA-N 476.661 5.277 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1832030157 DUWGVOXHGNIGMO-FQEVSTJZSA-N 483.962 5.181 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832666949 QKHRSAYMWTUPSW-NTKDMRAZSA-N 494.035 5.523 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)CC2)CCC1 1832699877 HHOGTVXZVWEBBU-SANMLTNESA-N 455.602 5.281 30 20 JKED COc1c(C(=O)N2CCCC23CN(C(=O)CCCC#C[Si](C)(C)C)C3)cc2ccccc2c1Cl 1844753087 CTMCTBIAKUCMGA-UHFFFAOYSA-N 497.111 5.370 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccccc4)cc2)C3)cc1C#N 1846880734 NQOWURSPWNMDFA-UHFFFAOYSA-N 479.580 5.143 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccccc2)c1C 10178814 VVTRQYUMVIEUIA-UHFFFAOYSA-O 471.002 5.027 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccccc1Cl 10825551 WTXQGSMTBLZHSP-UHFFFAOYSA-O 474.831 6.003 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2cccc3ccccc23)[n+]2ccc(N(C)C)cc2)c1 11126898 NOYQTIRJVUGQPS-UHFFFAOYSA-O 454.619 5.861 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccccc2C(F)(F)F)cc1 11156803 VDKMCJMGDVKNRM-UHFFFAOYSA-O 474.484 5.514 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3OCc3ccc(F)cc3)s2)cc1 14621516 OUCWUQFXAPOESH-UHFFFAOYSA-N 476.558 5.672 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1[C@H]1COc2ccccc2O1 16726510 WZADGJADTRXZBH-FOIQADDNSA-N 470.982 5.058 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4ccccc4Cl)o3)s2)cc1 19622395 HRMOCMAWXFGLGE-UHFFFAOYSA-N 452.948 5.868 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)OCC(=O)Nc3ccccc3SCC#N)cc12 22149308 OPHZXIBIKGJVPV-UHFFFAOYSA-N 497.001 5.460 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 22158007 MMGHKSVMEXNPOV-UHFFFAOYSA-N 497.916 5.452 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(C(C)C)cc2)cc1 22728604 XQIDZBVWANVHOI-UHFFFAOYSA-O 482.467 6.473 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23604691 UIJPHJPSICELFB-UHFFFAOYSA-O 475.465 6.574 30 20 JKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccc(F)cc3)o2)c1 24876538 GCRICQKCXQPCSD-UHFFFAOYSA-N 475.549 5.503 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 25638607 NWZPASVABZRTCL-KRWDZBQOSA-N 493.658 5.516 30 20 JKED O=C(CCc1ncc(-c2ccccc2F)o1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 33196662 NJEZXONHPRXDMG-RYUDHWBXSA-N 452.370 5.439 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)n1 58558504 BBJUSOJPPOBXKN-OAQYLSRUSA-N 465.962 5.564 30 20 JKED N#CCCSc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 78669138 FQPFVYHOPGQJOS-JOCHJYFZSA-N 463.990 5.846 30 20 JKED C=CCN(C(=O)COc1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 105827570 POLFPGLBIIIPFT-UHFFFAOYSA-N 488.396 5.600 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)nc2C)n[nH]c1=S 108932100 FRWNTPYJWRWYNE-UHFFFAOYSA-N 491.524 5.015 30 20 JKED C=CCOc1c(Br)cc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)cc1OC 209657743 MLUGTZYZKCOMFC-ZROIWOOFSA-N 473.754 5.330 30 20 JKED Cc1nc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)sc1SCC#N 436614212 ZUZNXYPHAXFFIB-UHFFFAOYSA-N 493.397 5.584 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)o2)cc1 488006922 BBHUECHUUCFIST-UHFFFAOYSA-N 452.485 6.003 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 499601626 YKMATNVSMCVTHH-HNNXBMFYSA-N 474.851 6.022 30 20 JKED CCc1cc(O)nc(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1 500379458 VGBVXNVXGXNSJV-UHFFFAOYSA-N 452.539 5.687 30 20 JKED CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cc1 502857045 PGIHOPWXQYKBIO-JOCHJYFZSA-N 492.417 5.297 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)c2)c1 503161428 XSUJFQDCBMFTAT-UHFFFAOYSA-N 482.561 5.363 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCc3ccccc3-c3ccc(Cn4ccnc4)cc3)o2)cc1 504790253 PXFPRWYFHYDECW-UHFFFAOYSA-N 488.547 5.572 30 20 JKED COc1cccc(/C=C/c2cc(C(=O)NCCCCC#N)c3cc(Br)ccc3n2)c1 505074428 KDODKRBISDDTFT-CSKARUKUSA-N 464.363 5.600 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nc(N)c2c(C)c(C)sc2n1 505107562 ASFZIMRHZHDFDI-AWEZNQCLSA-N 487.054 5.754 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1 505671620 HOTLPNNTPBAFSO-UHFFFAOYSA-N 467.481 5.564 30 20 JKED C=CCN(C(=O)CCc1nnc(-c2cc(F)ccc2Br)o1)c1nc2c(s1)CCCC2 508768531 IMODYYHRNOLXAA-UHFFFAOYSA-N 491.386 5.125 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)N(C)Cc1ccc(C#N)cc1)(C3)C2 509971901 PHUBJQXRLWEZEB-ZHKRYAAZSA-N 494.639 5.024 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCSc4ccc(F)cc43)s2)cc1 510230872 MPAPWCQWQIOXTQ-MRXNPFEDSA-N 457.581 5.200 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCc3c(Cl)cccc32)nnc1-c1ccc(Cl)cc1 511303979 XQYPSQNRLJURIL-IBGZPJMESA-N 459.402 5.334 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511351301 BHSGMTLYAYWVEQ-HHHXNRCGSA-N 455.558 6.099 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511443255 ZNLLSMIHBFNEFU-KRWDZBQOSA-N 468.384 6.863 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccccc2)cs1 512081523 CBLSKTWSRAHPED-UHFFFAOYSA-N 450.951 5.665 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccco1 514357871 DZRWQTIWUKZCIS-GOSISDBHSA-N 464.616 5.343 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1C 514424379 STHBCTAOMFCPSA-UHFFFAOYSA-N 488.345 5.563 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccc(OC(F)F)cc4)o3)c2C#N)C1 514768802 XKCFWKZZESPYGK-LBPRGKRZSA-N 490.557 5.517 30 20 JKED CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2C[C@H]1C 515695242 CHJVIQOVEPQRLQ-OAHLLOKOSA-N 481.961 5.102 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 515878832 AGPGHKVKCAZUTP-ZCYQVOJMSA-N 457.961 5.510 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CNC(=O)c4cccs4)cc3)n2)cc1 516713878 LWPOJEDWAWNDRT-FQEVSTJZSA-N 468.563 5.163 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 516838574 NBVMXVPRBMMEPU-HNNXBMFYSA-N 484.434 6.025 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 520544351 AMDFJMJKELMZRZ-QHCPKHFHSA-N 478.980 5.724 30 20 JKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1cccc(Cl)c1Cl 521769439 CIUQCHUHSZMJNO-HNNXBMFYSA-N 493.144 5.596 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c12 522486901 ZLTMNGUYECSCBI-INIZCTEOSA-N 462.893 6.091 30 20 JKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc2ccccc2n1C(F)F 522489196 NGINXLALPRKVND-OAHLLOKOSA-N 475.480 5.750 30 20 JKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1occc1COc1cccc(C#N)c1 522571479 YBMXVHVQAIRWJO-UHFFFAOYSA-N 451.482 5.543 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1nnc(-c2cccs2)n1C 524010711 ZUCBBHOCOXYAHO-UHFFFAOYSA-N 461.572 5.247 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1cccc(C(F)(F)F)c1 524675187 VTIGSNRMOPDQEV-LJQANCHMSA-N 463.525 5.553 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 588349127 XNNGYSYQHNMRCN-QGZVFWFLSA-N 467.428 5.849 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSCCN4CCOCC4)c3C#N)C(C)(C)C2)o1 590098514 XQWUYNOQLDLJIT-ALCCZGGFSA-N 497.686 5.303 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cncn3-c3ccccc3)s2)c(C(F)(F)F)c1 603758550 NAXULKKLKIRPRV-UHFFFAOYSA-N 453.449 5.062 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 603898023 VARXCNIPQPCLQY-UHFFFAOYSA-N 451.404 5.202 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCSc2ccc(Cl)cc2)cc1Cl 604134083 QVODDMQFOCLKCZ-OAQYLSRUSA-N 484.408 5.496 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 604249185 MCENSRMGYPJSSD-UHFFFAOYSA-N 452.480 5.353 30 20 JKED Cn1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 604417410 TWWZRAPUQUWGLD-AWEZNQCLSA-N 471.420 5.114 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(OCc3ccccn3)c2)cc1 608785627 VTVHYSUUIGOKBX-UHFFFAOYSA-N 480.543 5.583 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)cc2)cc1 608841495 SBOZYKMCCPXBFX-FQEVSTJZSA-N 483.503 5.951 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1Cl 608891729 HOOZRCRGBCYATR-LJQANCHMSA-N 478.902 5.060 30 20 JKED CC(C)(C)[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 608919919 NLAQZACLLSIPIK-ZNMIVQPWSA-N 478.399 6.565 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1Cl 608994350 KPGHZSVQQDRWPZ-UPVQGACJSA-N 473.960 6.136 30 20 JKED Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 609123896 QBNYMEXDPIOKDU-UHFFFAOYSA-N 472.564 5.325 30 20 JKED CC(C)n1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2cc(Cl)ccc2c1=O 609370925 JPIGKBMXVKACTI-OAHLLOKOSA-N 487.050 5.756 30 20 JKED COc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1S(=O)(=O)Nc1ccc(C)cc1 609382872 VKBOCKXYOCESAX-GOSISDBHSA-N 495.626 5.309 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Br)ccc1OC(F)F 609398667 IFNMOJXWOAATEU-LBPRGKRZSA-N 470.339 5.624 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccccc1 609421459 UVRFRRMTIFWPOH-UHFFFAOYSA-N 493.361 5.302 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1-c1ccccc1 613344890 SUJRTFQYKWAQCI-KRWDZBQOSA-N 453.354 6.101 30 20 JKED COc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1OC(F)F 613346458 KDDUZIJAROFVIC-ZDUSSCGKSA-N 469.296 6.217 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nnc1-c1ccccc1F 614508146 RNGHXJZENVRQPV-UHFFFAOYSA-N 483.569 5.843 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 619286842 ZYGNPVRZQJQCBP-SANMLTNESA-N 455.558 5.421 30 20 JKED CN(C)c1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 642299777 CVRIOKXEDSSUSM-UHFFFAOYSA-N 474.323 5.827 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 642322379 GQXSQOGNLFCYLW-UHFFFAOYSA-N 480.318 5.118 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CC2)c1 726406377 WNSODBBCTVIBNX-IBGZPJMESA-N 471.554 5.105 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\[C@@H](C)c1cccs1 726420763 MXTVIOFSJCEZOM-XTZQWVRSSA-N 486.594 5.082 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCOC(C)(C)C)C2=O)c1 726421162 LITMMHVRHBOUEI-MMOPGJHNSA-N 487.691 5.570 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 726571385 GDGRRUALEVMVEE-UHFFFAOYSA-O 465.942 5.293 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CC1 727631530 HQMBJZJZSXYLPN-LJQANCHMSA-N 494.567 5.229 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cs1 727685159 BVIQQXQIZVJKDL-QGOAFFKASA-N 489.597 6.611 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 728121902 PXGJKMRLSUCVQT-QGZVFWFLSA-N 490.947 5.630 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2c(c1)CCC2 728426590 WQFWIFQLXBOEJM-IQGLISFBSA-N 495.608 5.163 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccsc1)c1cccs1 728428735 BAHFPRPGXJYYBY-GAVKIAHZSA-N 480.640 5.271 30 20 JKED COc1ccc(-c2nn(CN3CCC(Oc4cccc(C#N)c4)CC3)c(=S)n2CC(C)C)cc1 729472750 VSVICBKVQHUIKE-UHFFFAOYSA-N 477.634 5.118 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 729779224 FSOOJUTVPIUZIM-UHFFFAOYSA-N 460.555 5.037 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O 730460731 DCXSRYXHDHEPMJ-NRFANRHFSA-N 473.545 5.266 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](c2ccccc2)C2CC2)c1 730727755 UXCMXKVIGHCYDJ-ZJSXRUAMSA-N 489.576 5.036 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)sc2nc(C(F)(F)F)ccc12 731071957 XMYXOQZPGQZXMG-GFCCVEGCSA-N 493.532 5.813 30 20 JKED Cc1cccc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1NC(=O)c1ccoc1C 731072968 DFXTVRFKETUNFV-QGZVFWFLSA-N 491.569 5.339 30 20 JKED COc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nc3ccccc3c2=O)cc1Cl 731158489 BAPYKCACFVZYEB-UHFFFAOYSA-N 463.946 5.242 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCCc2ccccc2)C1=O)Nc1cccc(O)c1 731310256 DDBUKDACQUQEMC-QHCPKHFHSA-N 477.561 5.124 30 20 JKED Cc1oc(NC(=O)COC(=O)c2oc3ccccc3c2CSc2cccs2)c(C#N)c1C 742980489 UWVAJRZDNJSWIJ-UHFFFAOYSA-N 466.540 5.664 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2cccc(OCCC(=O)O)c2)C(=O)c2ccccc2)c(Cl)c1 746684480 QWPSAQBKIWRGLV-CJLVFECKSA-N 477.944 5.715 30 20 JKED CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 750697469 MLWCLYPBHFXAPD-UHFFFAOYSA-N 450.539 5.119 30 20 JKED Cc1nc2ccccc2c(C)c1CC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 752665565 WBRMQFHBCXXEQL-UHFFFAOYSA-N 498.558 5.053 30 20 JKED N#CC1(NC(=O)c2cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)ccc2Cl)CCCC1 786745753 BGRNBNZLYWAWJI-UHFFFAOYSA-N 494.016 5.302 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(CC(F)(F)F)C1=O 799214460 MCVPAGGQWTVTAQ-SFHVURJKSA-N 499.942 5.488 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2cccs2)c1 837348903 STGXWRVIQRKFRA-QFIPXVFZSA-N 493.610 5.120 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837918118 YFOIPVGOWMZTPM-UZUQRXQVSA-N 476.577 5.505 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@@H](C)c2ccccn2)c1 838277210 KXRCTNUVSNMNLB-UUOWRZLLSA-N 488.613 5.374 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1OC 838503291 LHZCFLLIKUGYJF-IBGZPJMESA-N 479.524 5.474 30 20 JKED C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)ccc1Cl 849207728 JSUFPXUIRJBCNA-INIZCTEOSA-N 489.380 5.458 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NCc2c(Cl)ccc3cccnc23)cc1 864001173 RCZSMELKEMHBHD-QYQHSDTDSA-N 456.999 5.093 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)Cc2cccs2)c1 914690811 FVYJIPXVOLBVAN-MBSDFSHPSA-N 493.654 5.026 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)c1cc2c(ccc3ccccc32)o1 914700009 YGBWTKDVSZYPNM-UHFFFAOYSA-N 457.515 5.013 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc(-c2ccccc2)cs1 915101447 BRBDNBYUTVQHGA-QZTJIDSGSA-N 484.408 5.846 30 20 JKED CCOC(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 915102508 VHSUXAWMQISUTQ-DOMZBBRYSA-N 452.363 5.162 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2ccccc2n1C(F)F 915104575 SCQBGBPXTIACSR-YJBOKZPZSA-N 477.298 5.219 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 915107485 TVIQZZKICUZJFI-KRWDZBQOSA-N 452.486 5.194 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2c(C)cccc2C)cs1 915912005 MQXKWGLZAWIYEO-UHFFFAOYSA-N 458.012 5.418 30 20 JKED CCSc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(C)nc3ccccc3c2=O)cc1 916293433 OQEXJDIXKBDVHU-UHFFFAOYSA-N 465.582 5.552 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546199 FQPXXMFPDOMXLU-UHFFFAOYSA-N 471.417 5.621 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916928493 MICKLMWIWWWKDL-ZDUSSCGKSA-N 450.734 5.731 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 916930488 YVCCPVFPKWNCKA-GOSISDBHSA-N 485.392 6.255 30 20 JKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946063 JGVSLUOUFMKMFG-SFHVURJKSA-N 460.342 5.229 30 20 JKED CC(C)[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 916996012 JHISYWJGCLDECU-FXAWDEMLSA-N 498.391 5.614 30 20 JKED N#C[C@H](C(=O)CCc1ccc(OC(F)F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997025 QYPZHDOHUBOISB-MRXNPFEDSA-N 467.324 6.527 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 917047041 PEBSYMGSUKCXNM-KRWDZBQOSA-N 488.396 5.340 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)C2)c1 917431110 ZAGQFUFEEWTWCL-QAPCUYQASA-N 452.967 5.379 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cs1 917563655 RDLIOKNXAXOJIF-RGVLZGJSSA-N 483.018 5.990 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cccc(C)n3)C2=O)cc1 917662740 HHYDVIKFEAAGHP-XMMPIXPASA-N 488.613 5.258 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c(C)c1 917674130 NEOFFADYOWEKED-XMMPIXPASA-N 486.572 5.475 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)s1 917675693 WISBDAHTDOZTSE-HXUWFJFHSA-N 471.554 5.495 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccsc3)C2=O)cc1 917701863 AQCPVJVMZJJJNL-NRFANRHFSA-N 460.584 5.089 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2ccccc2OC)c1 917777108 SOBXLRUEKMZQKX-UHFFFAOYSA-N 470.978 5.007 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 918287459 ALIUUYDHGZAPFR-UKILVPOCSA-N 462.553 5.168 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 918476599 UTFKBYVOQZKIKY-VWLOTQADSA-N 485.971 5.055 30 20 JKED C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918546511 BKOSDPDIBLCRHU-KQMYFLNBSA-N 477.030 5.158 30 20 JKED CCCOc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)CO2 920068914 FRWJQFPJIHBSLO-LFIBNONCSA-N 468.962 5.929 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(C2CC2)C1=O)Nc1ccccc1Br 920173092 OTNLHEYSXPWHGG-FQEVSTJZSA-N 484.419 5.061 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c1 920358137 YPVOOXAPNXWWIP-QFIPXVFZSA-N 462.575 5.014 30 20 JKED CON=Cc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1 920855304 HFANCUYAKNZWDS-UHFFFAOYSA-N 455.436 5.499 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 921188984 XFDPUUVROULECC-UHFFFAOYSA-N 457.525 5.085 30 20 JKED COc1cc(/C=C2\COc3c(F)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 921265816 CHOIXJQGHYBDIR-LFIBNONCSA-N 467.880 5.164 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 1778868511 LIRLRCVYDDVWCK-OOIXFGODSA-N 458.687 5.099 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1-c1ccc(C)cc1)C2 1781741205 MOBBDKWJRFMMNR-GZWANVBQSA-N 460.618 5.002 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C[C@@H]21 1783539572 DAGZVFOJJDTWGU-BIHRQFPBSA-N 475.073 5.052 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CCC1 1785787946 AJPQAIOALWTIGQ-UHFFFAOYSA-N 454.304 5.348 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](c4ccc(Cl)cc4)N(C)C)CCC3)cc2)C1 1785810562 ZXQXFURTSQOSSY-HSZRJFAPSA-N 451.998 5.043 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)cc2)CCC1 1786120704 SCODDWDSYMEHDV-OAQYLSRUSA-N 457.615 5.026 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc5ncccc45)cc3)CCC2)cc1 1786345890 YOPXDJZESJKUHE-UHFFFAOYSA-N 474.564 5.291 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ncc(OC(F)F)cc3Cl)CCC2)cc1 1786364173 JOTFYGDDZIWEBQ-UHFFFAOYSA-N 493.938 5.067 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccnc4)cc3)CCC2)c1 1786928191 PZYJBUYLTRGFMN-BNCSFYMNSA-N 450.542 5.170 30 20 JKED Cc1nscc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1787193606 HGTUGENAOJTWOI-UHFFFAOYSA-N 450.951 5.038 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccsc4)CCC3)cc2)c(C(F)(F)F)n1 1788356317 FNOMMTFZEPAHHH-UHFFFAOYSA-N 470.476 5.095 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)cc2)CCC1 1788375815 RMFZJEYNTOYHTI-UHFFFAOYSA-N 478.474 5.429 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4nn3)cc2)CCC1 1788494807 PNOPLVYEQHWMNT-UHFFFAOYSA-N 470.907 5.242 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)nc3)CCC2)cc1 1788649661 WFUSALOGYSSECT-PKNBQFBNSA-N 499.514 5.349 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)n(-c2ccccc2)n1 1788669534 ACPLTCCMAFEKEC-UHFFFAOYSA-N 489.579 5.308 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccnc5ccccc45)cc3)CCC2)cc1 1788888471 QGELTSQPKNBWHS-UHFFFAOYSA-N 460.537 5.097 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cn5c(Cl)cccc5n4)cc3)CCC2)c1 1788939953 QLLFRDWAJVTKKM-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4cc[nH]c34)cc2)CCC1 1788991791 FABJZUOHNIFMDI-UHFFFAOYSA-N 478.390 5.482 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)CCC1 1789026146 OAMIDPCAWODZTJ-INIZCTEOSA-N 496.405 5.269 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(Br)ccc5[nH]4)cc3)CCC2)CCC1 1789225185 ZACSZHXWTNBPCA-UHFFFAOYSA-N 491.389 5.372 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)CCC2)cc1 1789455613 YLFRRRALYXBEMS-LZVPSXTNSA-N 493.648 5.358 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3F)CCC2)cc1 1789577069 RFZALNSETNLWLR-OKCVXOCRSA-N 489.547 5.074 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc(Cl)n1 1789903294 VQWRDKBRWVNQNG-QGZVFWFLSA-N 488.975 5.432 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)cc1 1790255792 OGSVVFMIBYEPFG-FTJBHMTQSA-N 465.553 5.118 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OCc3ccccc3)C(C)C)cc2)CCC1 1790481863 NDIBABYHQHCLEX-XMMPIXPASA-N 477.605 5.038 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)cnc4s3)cc2)CCC1 1790987606 VHHSSBZFPUCMNA-GFCCVEGCSA-N 490.448 5.125 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CCC2)cc1 1791588315 GZXUPDLWNOIQFF-NRFANRHFSA-N 457.615 5.026 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccnc(C)c3)CCC2)cc1)c1ccc(O)cc1 1791642441 JVZLACHOWVDOLO-QFIPXVFZSA-N 467.569 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(OC)cc1)C2 1798592992 BPHULQOKMPLXGF-KOUNCHBCSA-N 461.606 5.001 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(ccc5ncccc54)s2)C3)c1 1800765274 LKSUNXKUUYATKY-WKCHPHFGSA-N 480.593 5.195 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1802392516 MJIBGZXWRNNPLA-UHSQPCAPSA-N 488.676 5.588 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)[C@H]2c2cccnc2)C1 1802416726 JZRRPSQDULDKFF-BCHFMIIMSA-N 482.609 5.130 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccccc3)CCC2)[C@H]1c1cccnc1 1802501132 HPAXLDLIZIGEJU-NOZRDPDXSA-N 459.634 5.202 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)cc2C(F)(F)F)c(Cl)c1 1803893473 DVWYNAHVYGEAAA-MUJYYYPQSA-N 496.316 5.449 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc3[nH]ccc3s2)[C@@H]1c1cccnc1)c1ccccc1 1809464726 LIWIYRZDQJFSPU-WCYRKSIYSA-N 496.636 5.141 30 20 JKED C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810277099 MFNHOKLBVIVGHV-RJRADHEHSA-N 489.736 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1810500309 OCRKUZVDCHLZGC-ZCYQVOJMSA-N 489.660 5.497 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1810505498 WLQTUTQYCFNNQL-KNQAVFIVSA-N 474.432 5.700 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccnc1 1812039643 QPGYZYYKBLKXBO-XXBNENTESA-N 470.013 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1812439924 QBUCXLKRVKEFHE-ONJIFJTESA-N 478.036 5.239 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@H]1c1cccnc1 1812667406 DDPIBEVTMQLHIW-HCUBDLJJSA-N 469.576 5.129 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@H]1c1cccnc1 1812667984 OQBBWVDWWYITEE-XLIONFOSSA-N 498.496 5.014 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H]1c1cccnc1 1814106343 BGUUKRPVUZYRHP-AYWVHJORSA-N 488.591 5.030 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CCC3)[nH]n2)C1 1814397464 OPTHFNKQXPUTKV-OAQYLSRUSA-N 452.986 5.143 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1814569073 GRBXCHNURMDEFE-HSZRJFAPSA-N 480.572 5.185 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)C3)n[nH]1 1817943361 ICORQARAFSTPMV-SIKLNZKXSA-N 462.594 5.198 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818163974 OZHJYNODGZYIHM-NRFANRHFSA-N 496.995 5.612 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)cc12 1819055491 WGCHSWWPIYPZFR-JOCHJYFZSA-N 486.963 5.344 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(Cl)n2)n[nH]1 1819969743 YZFCIOGRLHWFOL-CRAIPNDOSA-N 462.381 5.186 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)[nH]n2)c1Cl 1820220019 FYRWKZNCRJTVID-OAQYLSRUSA-N 490.926 5.175 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)c2ccccc2n3CC)n[nH]1 1820225983 UMNDANGYLYNAON-SANMLTNESA-N 481.600 5.647 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc(F)c2)n[nH]1 1820625862 YILZMYZOOZWWPI-OAQYLSRUSA-N 472.612 5.045 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820962354 DJSYLXTYPBNMJA-LJQANCHMSA-N 496.599 5.296 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821087709 IFZFBRYBMLSDFA-SJLPKXTDSA-N 488.963 5.342 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821278044 LQWSVXSHQMNJBM-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2F)[nH]n1 1822580268 YBRZIBQTLVPIOU-LJQANCHMSA-N 489.389 5.119 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2c(C)cccc2C)[nH]n1 1822580959 FCLPYRCVPYRBGW-NRFANRHFSA-N 452.624 5.005 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1822581937 VFGOGBHJCONRJM-JOCHJYFZSA-N 483.572 5.651 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1 1822981287 ZNYDSUVSEIJTCG-LPOPLRKUSA-N 499.656 5.008 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)CCCO3)n[nH]1 1823137585 AURAJVFVPJJSQB-HSZRJFAPSA-N 492.696 5.092 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)n[nH]1 1823347684 FPQZAXHSYXGDIC-RZUBCFFCSA-N 499.656 5.030 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccccc4c3Br)CC2)C1 1823702246 XUBISUSUBQWLDQ-XMMPIXPASA-N 495.461 5.802 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1823753130 FSDRUMUKZJEFQP-DEOSSOPVSA-N 450.623 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1823928609 TYJAPUJGYJKGDJ-IRLDBZIGSA-N 489.056 5.359 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1824048884 NWJPSSUATHPMMS-LVXARBLLSA-N 452.639 5.187 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1824500072 FPWMVVUTNQFBQB-DEOSSOPVSA-N 495.491 5.529 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1824540634 MKVDIAWBYQDJII-RCZVLFRGSA-N 495.714 5.637 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1824827622 GNRWMCSLHXKHMZ-KXTRFFEISA-N 489.582 5.355 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cnccc3n2)CC1)c1ccccc1 1828119075 ZPBPTLWFBUYQLQ-LITSAYRRSA-N 494.639 5.060 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)cc12 1828577087 DUZZDXDPHZSPKR-MHZLTWQESA-N 491.752 5.761 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1)C(F)(F)F 1828603885 AYALACKOOGVCBU-GOSISDBHSA-N 468.516 5.392 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1828826754 LLRPNLISDSYJSG-HFZDXXHNSA-N 495.067 5.732 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(O)cc3)CC2)CC1 1829068500 ZITJWZFMZMRMAS-XMMPIXPASA-N 452.639 5.036 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)CC1 1829279541 IDMFHJYHIDBTRN-QFIPXVFZSA-N 467.635 5.405 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576783 FXQXUHSZIAFWNN-XMMPIXPASA-N 473.642 5.486 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622426 GOPKKZRPFGUVQA-RDPSFJRHSA-N 475.658 5.158 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1830416657 SDLPWYSHDHSZHC-KBMIEXCESA-N 499.055 5.231 30 20 JKED O=C(C[C@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601607 GHUJTADQUZYSQD-IHLOFXLRSA-N 498.667 5.279 30 20 JKED CCc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc(C)n1 1830721283 BAFKCVVIQYQLEA-VWLOTQADSA-N 479.024 5.025 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSC3CCCC3)CC2)c1 1832628833 CRPIXVLKWCRGJC-CPJSRVTESA-N 467.679 5.223 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633738 LTSFOVOROICZGM-PUHFUULOSA-N 470.617 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@H](CCC)CC3)CC2)CC1 1835816481 HXGSVDRECKFYNV-YHBQERECSA-N 459.719 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)CC1 1835820031 LOBGECDCNXNWHM-UHFFFAOYSA-N 497.577 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)CC1 1836697077 NIBJDIMKEQYODA-UHFFFAOYSA-N 458.687 5.360 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)CC1 1838767226 YIKZPCIDOFALND-HJOGWXRNSA-N 493.692 5.532 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)C1 1844241862 NOFSBGOVAYMMSB-HXUWFJFHSA-N 481.637 5.109 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2scc(-c3ccccc3)c2c1=O 9041552 VHCLPPPYMXUCGG-UHFFFAOYSA-N 475.639 5.967 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)n(-c2ccccc2)c1C 10100136 NIASLTPSANUCDZ-UHFFFAOYSA-N 477.640 5.673 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1ccc(Br)cc1 10754499 BPVWCDLHYAUUSO-UHFFFAOYSA-O 464.767 5.580 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cccc(OC)c2)cc1 11259597 SDLXVLDMTNWYSZ-UHFFFAOYSA-O 460.406 5.903 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11264186 VKQRSQBHHUDPAV-UHFFFAOYSA-O 478.638 5.442 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2scc(-c3cccs3)c2c1=O 11382755 XJBAHDJODWJCLO-UHFFFAOYSA-N 469.613 5.112 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl 14070309 HHCLGSKNNSIULU-UHFFFAOYSA-N 464.334 5.077 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccccc2)cs1 14723636 BLIOFAUTUDIGKQ-UHFFFAOYSA-N 469.522 5.032 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2sc3c(c2c1=O)CC[C@H](C)C3 20794848 BPYJYJFZPRSZCI-ZDUSSCGKSA-N 491.585 5.101 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1cccc(C)c1 22010746 GPPVHKGTZBBHTQ-UHFFFAOYSA-N 477.468 5.097 30 20 JKED C=CCn1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nnc1-c1ccc(F)cc1 22033590 MCHOSGUMOAWPPY-UHFFFAOYSA-N 471.867 5.068 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(Cl)c(Cl)c1 22695284 DTGDGKKKTJEKPF-UHFFFAOYSA-O 450.436 6.264 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(C)c2)cc1 22730150 DAUMXVYTIYSASH-UHFFFAOYSA-O 483.613 6.524 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nnc1-c1ccco1 23202030 SEYXBXTUQCWIOW-UHFFFAOYSA-N 465.604 5.720 30 20 JKED COc1cc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)cc(OC)c1OC 23450554 NVJLAKHBNXAXBU-UHFFFAOYSA-N 459.527 5.593 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnco3)c2)c1 24743121 WUROPXUBAWEFBU-UHFFFAOYSA-N 494.960 5.024 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)n2)n[nH]c1=S 26092236 ITAFBABSUOEHIG-UHFFFAOYSA-N 491.602 5.070 30 20 JKED C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nc2sc3c(c2c1=O)CCCC3 28380791 HOZDEMIWMUGVPB-UHFFFAOYSA-N 467.660 5.378 30 20 JKED Cc1sc2ncn(CC(=O)N(CCC#N)c3cccc(Cl)c3)c(=O)c2c1-c1ccccc1 31699294 RNWQDKSVZQOSNR-UHFFFAOYSA-N 462.962 5.034 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nc2sccc2c1=O 36800059 XEDLWNSWVYPGNA-UHFFFAOYSA-N 477.567 5.283 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 45795187 RDKRIPONQIIYRN-UHFFFAOYSA-N 461.534 5.293 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 302982789 JXLGINUICHMKCI-UHFFFAOYSA-N 495.505 5.863 30 20 JKED Cc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)cc1 303292389 XFSZGBGJBHSZHZ-RUZDIDTESA-N 453.567 5.621 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(OC)c(OC(F)F)c1 409497340 BVZVHGIKDXWTDI-UHFFFAOYSA-N 473.289 5.096 30 20 JKED C[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Oc2ccccc2)c(F)c1 409525479 NAPYTSQTTALLRF-IBGZPJMESA-N 486.547 5.611 30 20 JKED N#Cc1cc(NC(=O)C(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)ccc1F 481353226 JJEJVCLMKSFLLJ-UHFFFAOYSA-N 493.363 5.042 30 20 JKED CCOc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 498072715 VXGMKWYOZWNEHS-UHFFFAOYSA-N 461.465 5.696 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)Cn4cc([N+](=O)[O-])cn4)c3C#N)C(C)(C)C2)o1 498156936 QOCCGZQXIWCJCZ-ALCCZGGFSA-N 463.519 5.043 30 20 JKED Cn1c([C@H](C#N)C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)nc2ccccc21 499160101 XFLQEKZGAKSHFF-OAHLLOKOSA-N 483.881 5.410 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc(OC)c1OC 506519204 WYWKBCIZHAGYRV-UHFFFAOYSA-N 499.611 5.276 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(CN3CCOCC3)c2)cc1Cl 510005993 NMZQSOPZNXCMKL-VWLOTQADSA-N 474.992 5.149 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nc2sc(C)c(C)c2c1=O 510643832 GLYXZKPXRVGESK-UHFFFAOYSA-N 496.683 6.003 30 20 JKED Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 511145498 NJWFAOWKOPXTOZ-UHFFFAOYSA-N 469.610 6.333 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 511384507 QPUHJLVGVGMPKU-UHFFFAOYSA-N 477.568 5.328 30 20 JKED CCOc1c(Cl)cc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 511454746 DQNHCWPXKIGZOX-UHFFFAOYSA-N 478.936 5.193 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4cscn4)c(OC)c3)n2)cc1 512487893 AYEDUTMALLXXGN-IBGZPJMESA-N 477.567 5.353 30 20 JKED C[C@H]1CN(Cc2ccccc2CNCc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1 513589570 XNWVXQYNEVNNHH-GOTSBHOMSA-N 455.602 5.036 30 20 JKED Cc1occc1-c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)n1-c1ccccc1 514892172 NSNVFRKNEYJRBH-UHFFFAOYSA-N 475.599 5.379 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)cs1 515283606 FDUXMXYOHQTFGX-UHFFFAOYSA-N 456.527 5.650 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)cc3)o2)c1 518516670 RSKMNQDOUCSOOU-HSZRJFAPSA-N 487.544 6.197 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 518756014 VKHPTBDGEZWJCR-OYHNWAKOSA-N 469.010 5.714 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1C 518911626 IYGXFBZRVSRTAY-UHFFFAOYSA-N 460.541 5.648 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1C 520453950 ZYHNDSWSQDAMJJ-UHFFFAOYSA-N 469.520 5.337 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1)c1ccccc1 520630198 MIDVXEJJAFJDCY-UHFFFAOYSA-N 463.562 5.914 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 521102382 APUDSRRDADTBLI-UHFFFAOYSA-N 487.940 5.838 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccccc1Oc1ccccc1 522523642 DMLBYYQPXYLOJV-LJQANCHMSA-N 478.508 5.354 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)c1occc1COc1cccc(C#N)c1 522581771 FGAVEODJIJQWPX-UHFFFAOYSA-N 457.299 5.294 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1Cl 524331360 GTSDYZWDXHZJBS-RUZDIDTESA-N 471.988 6.054 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3Br)cc2Cl)c1 524393217 UXEQSZDSVSBYGP-UHFFFAOYSA-N 459.702 5.945 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)c2)c1 524676038 CTKMEKAEBDHHQN-HHHXNRCGSA-N 478.552 5.311 30 20 JKED N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c(-c2ccncc2)n1 602755477 DDSSNMFTPMOJHV-DEOSSOPVSA-N 472.911 5.422 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1c1ccccc1Cl 603998279 VEGRAFPBSJXBAJ-SFHVURJKSA-N 463.759 5.115 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)cc1 604130311 XOVXSNGOGQPPAD-XMMPIXPASA-N 460.578 5.660 30 20 JKED COc1ccc(-c2cnc(CCC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)o2)cc1 604497395 ZYXKUTRMKDPOAE-UHFFFAOYSA-N 469.516 5.835 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(C(F)(F)F)c1 608865437 NJGZXOHBDKVIMX-OAQYLSRUSA-N 482.462 5.360 30 20 JKED C=C(C)COc1cccc(NC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 608946920 GCRMBVWOFUSMAE-KRWDZBQOSA-N 491.638 6.279 30 20 JKED CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)C(C)C 609062125 YYWMYNSKHOUYGU-HHHXNRCGSA-N 485.584 5.238 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 609079346 XQQLUNWAHKZJRH-UHFFFAOYSA-N 478.596 6.647 30 20 JKED Cc1nc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nc2ccccc12 609080111 TUUJTFGXLVIVDU-UHFFFAOYSA-N 457.921 5.364 30 20 JKED N#Cc1ccc(CNC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c(F)c1 609254558 WZVBWNLSSXREAR-UHFFFAOYSA-N 476.895 5.906 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 609378356 GKEYYAMBVVTFJR-UHFFFAOYSA-N 469.872 5.301 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 609399591 BESRMJDNFKQIIF-UHFFFAOYSA-N 489.441 5.027 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 609435183 WOEYZVKBUZRBDB-IBGZPJMESA-N 458.562 6.326 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 609439013 RSGHEGVDTIVRFZ-QGZVFWFLSA-N 462.541 5.449 30 20 JKED N#C[C@H](C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 612894727 LSMGTZLESAHHMM-HXUWFJFHSA-N 486.018 5.128 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 613908700 YKAPLQAQOLDAND-IBGZPJMESA-N 488.588 6.288 30 20 JKED C[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 615325325 CDYBYUMYQPWSOH-GFCCVEGCSA-N 452.370 5.562 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2Br)on1 620847322 UVCJEZVKVHNHIT-SFHVURJKSA-N 494.370 5.938 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 726393743 RCNDIAVTRIYAQW-ZUOKHONESA-N 495.979 5.312 30 20 JKED COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1NC(C)=O 726428473 MOOCKPQHVBDMRP-POHAHGRESA-N 483.351 6.109 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2cccc(CO)c2)cc1Cl 726572312 YCQYALXENHDDAA-UHFFFAOYSA-O 463.391 5.030 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(Br)cn3)c2C#N)C1 727556254 RNBNTQUWQDFKHZ-CYBMUJFWSA-N 490.423 5.114 30 20 JKED C[C@@H](OC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 727887804 UZPACLJBFBECRP-BFFYNSAMSA-N 450.560 5.013 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 728062375 MDVLBUJRNBOPCR-IBGZPJMESA-N 496.592 5.890 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(I)c2)cc1 728147560 IXEQKNHOJYGFMD-ACJLOTCBSA-N 460.315 5.074 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 728147999 RMIWLSBYXHLEPE-PXNSSMCTSA-N 482.556 5.120 30 20 JKED COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1 728267965 FLJWEOVWWLNLFY-UHFFFAOYSA-N 494.551 5.244 30 20 JKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 728346948 CKUDFAIFLCOAQD-HSZRJFAPSA-N 467.997 5.267 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776228 AKEIQGDDXMOZRF-QFIPXVFZSA-N 493.589 5.174 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 728780381 RXTVPRKWURMFIB-QHCPKHFHSA-N 492.551 5.772 30 20 JKED N#CCCCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl 728981661 HRDCXOVKHNBCSE-UHFFFAOYSA-N 494.322 5.237 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3scnc3C)C2=O)cc1 729141495 AJCNHEXPWHPBNT-OAQYLSRUSA-N 494.642 5.319 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1sc2cc(Br)ccc2c1Cl 729872579 RQAQBQWAKHVQNU-UHFFFAOYSA-N 455.742 5.046 30 20 JKED N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 730684766 DAFNXGABNHMHLL-RRFJBIMHSA-N 458.370 5.562 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1F 730691061 DZQJCVGYNYSZHB-KRWDZBQOSA-N 462.506 5.658 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cocn2)cc1 730713451 SIWHRVSBKBAHEV-OAQYLSRUSA-N 466.538 5.098 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 730943892 MNTNMIHLXBIZLW-KKSFZXQISA-N 464.978 5.457 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1F 730944632 DQYDXIQQGDUERT-KSFYIVLOSA-N 480.540 5.390 30 20 JKED Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(F)c2)cc1 731078223 NKFOJYQHOKIFEK-SFHVURJKSA-N 462.546 5.991 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2C)cc1F 731311504 DCQXEVDZYRKTNI-HSZRJFAPSA-N 493.560 5.009 30 20 JKED COc1ccc(O)c(C=Nc2cc(NC(=O)c3ccccc3I)ccc2F)c1 746681304 FVYGKCJVDFBWQL-UHFFFAOYSA-N 490.272 5.147 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSCc1cc(-c2cccs2)on1 747112424 UVZKLVUTVNLAHC-SFHVURJKSA-N 453.589 5.109 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 749047709 GVFYBIXCTLLAOC-CYBMUJFWSA-N 474.735 5.066 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 778970980 FTCHZTBDIMVSLW-UHFFFAOYSA-N 479.539 5.157 30 20 JKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 779187328 MZHJTHSBGLCOTN-HNNXBMFYSA-N 479.489 5.082 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccccn1 837301624 MLZJARBMEIXTEB-VGOFRKELSA-N 462.550 5.251 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 837476203 OLQYXPKEZSSRFO-PXDATVDWSA-N 486.641 6.037 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2)cn1 837888211 QKTWVLKNEWGHNI-FQEVSTJZSA-N 498.967 5.043 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1F 838228805 AEFIKDPJTGTGKK-JTSKRJEESA-N 462.550 5.251 30 20 JKED C[C@H](OC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1sc2c(c1C#N)CCC2 857827601 DATAADBMKBMLLC-AWEZNQCLSA-N 452.507 5.011 30 20 JKED N#Cc1c(Br)cccc1OCc1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1 904480541 VGTLPQCQHYXNGP-UHFFFAOYSA-N 486.329 5.348 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 914521687 ZKJAGUSGZUYIOQ-SDNWHVSQSA-N 481.571 5.491 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(Cl)ccc1OCc1cccnc1 914692241 MVTDDGWPOQGGSK-UHFFFAOYSA-N 486.000 5.820 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2[nH]c3ccccc3c2Br)c1 915510743 VUYXMWMZNJAACM-INIZCTEOSA-N 468.351 5.039 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)cc1 916156297 ROOWSCRNJLYDNK-NHCUHLMSSA-N 474.358 5.096 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CC1 916206551 SKDZXKUMKNOEBS-GOSISDBHSA-N 492.826 5.534 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccc(F)cc2)cc1 916210284 ZLQJHHTXDRXIQP-HSZRJFAPSA-N 493.560 5.003 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccccc1C(F)(F)F 916210716 HFWACAKCDLIXAO-NRFANRHFSA-N 483.515 5.866 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCc3ccccn3)C2=O)c1 916212563 YCKJONAJAUUREH-QHCPKHFHSA-N 493.032 5.555 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C[C@@H]1CCCO1 916214752 ADKMGNITMOZKEV-KXBFYZLASA-N 492.428 5.441 30 20 JKED CCOc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCC(C)C 916283999 GHBWQLBEVYCMGN-UHFFFAOYSA-N 461.587 5.749 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Cl 917045359 YKLLUQZRNFWWAK-CQSZACIVSA-N 474.398 5.461 30 20 JKED C=CCN(C(=O)/C=C/c1ccccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 917370007 LLKBQGWACPWVJY-JLHYYAGUSA-N 458.992 5.099 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 917589182 AVTBMCBJAMZBHA-UHFFFAOYSA-N 477.977 5.420 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)c1 917668507 ACJNOYXGCNONRA-QHCPKHFHSA-N 454.555 5.027 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCC(C)C)C1=O 917703906 DEZSKIAKPRIJSI-NRFANRHFSA-N 485.009 5.227 30 20 JKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=Nn3c(C)nc4ccccc4c3=O)ccc2c1 920827190 VHVMEGPVOOOQSX-UHFFFAOYSA-N 485.547 5.602 30 20 JKED C=CCN(C(=O)COC(=O)c1csc(COC)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 920905889 UYRJSSQSNULGRU-UHFFFAOYSA-N 498.413 5.096 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)n1 921249218 LMRRRJKTFZIVIX-TUOAVLBBSA-N 485.590 5.581 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(C2SCCCS2)cc1 925497517 WVZMVMWGZKDPMM-QGZVFWFLSA-N 470.616 5.056 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1CSc1ccccc1)C2 1781741496 XXHMZQVXAXQQTA-GZWANVBQSA-N 492.685 5.319 30 20 JKED C/C(=C\c1cccnc1)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785797695 FRVAQQVCDUZMFP-DYTRJAOYSA-N 464.569 5.123 30 20 JKED CC(C)N[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1)C(C)C 1788126819 KAITXPKEJBKWJK-NLFFAJNJSA-N 460.622 5.084 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4c3OCCO4)cc2)CCC1 1789002644 BGDMQHLUHPMFQW-UHFFFAOYSA-N 490.676 5.257 30 20 JKED CCCC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)cc1C 1790052421 NNOXYTDOHHEHPK-UHFFFAOYSA-N 460.578 5.031 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCCC4(F)F)CCC3)cc2)c1 1790073193 QIEPMLXTISQGJS-VWLOTQADSA-N 485.506 5.232 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CCC1 1790221290 MUEIOIAOHKBFQA-VAWYXSNFSA-N 466.509 5.213 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C3CCN(c4cccc(Br)c4)CC3)cc2)CCC1 1790573913 OFMIEBZXEYUMHF-UHFFFAOYSA-N 496.449 5.376 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)cc1 1790705061 FCPZVJOBEDSVLS-UHFFFAOYSA-N 462.553 5.005 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3-n3nccn3)cc2)CCC1 1790723388 KHBPCKIEXKTUBH-UHFFFAOYSA-N 499.691 5.066 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)cc(C(F)(F)F)c1 1790785263 YYKIYVYAPTULOS-UHFFFAOYSA-N 487.865 5.885 30 20 JKED COC(=O)Nc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)cc(C#N)c4)cc3)CCC2)c1 1790796482 QTFIMHHPZKPCMR-UHFFFAOYSA-N 482.540 5.107 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1791583252 WQYIOUXMABIOCZ-UHFFFAOYSA-N 451.979 5.501 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1791730915 ZURBGJCWMMVKNF-UHFFFAOYSA-N 451.570 5.690 30 20 JKED C[C@H](Cc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1791767564 NLNQGFGVOFYNTB-GOSISDBHSA-N 472.976 5.233 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c(O)c1OC 1792126965 OZNIYPUZSGOWBU-SFHVURJKSA-N 499.567 5.098 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204216 RAXZJLXTVSKMKQ-JOCHJYFZSA-N 495.620 5.206 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(Br)sc4c3)CCC2)cc1 1792264814 IRDWAKRLSATWQG-UHFFFAOYSA-N 482.403 5.220 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C 1793472570 CXXSKCQAXHVRLU-KHUIQGCPSA-N 497.680 5.191 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(F)CCCCC1(F)F)c1ccc(C(F)(F)F)c(F)c1 1797804466 IATZYKVSZLGAQP-YYQBIWNASA-N 480.424 5.014 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc(Br)ccc3s2)c1 1798080583 LPSXNQUTGJYOTB-ACDBMABISA-N 494.414 5.101 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800010922 OIMLPDZFLZGOHR-PEVLUNPASA-N 454.014 5.092 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1802946896 QOSBZAHNZDLTSH-HFASVGIHSA-N 482.628 5.037 30 20 JKED Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)o1 1803861233 STPMIFDYEUCWQE-BTTYYORXSA-N 492.391 5.330 30 20 JKED CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1806274390 JXIMYQAJSNMHHL-MVERNJQCSA-N 487.003 5.120 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(F)cc3C(F)(F)F)C2)CC1 1806506375 BHUGJRSOJXPLAM-UHFFFAOYSA-N 482.562 5.611 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1809188381 DOVFJEIBYSEBBQ-CJFMBICVSA-N 477.008 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1810500578 SVLRRVWLXUNTPZ-ZEQKJWHPSA-N 455.602 5.547 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c(Cl)c1 1811748771 AYZPSHOOGUBKNF-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1813057592 GVXGIMDXSRTBRI-FNZWTVRRSA-N 470.598 5.187 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1813943339 JLCVYJDECZDYKL-JTSKRJEESA-N 475.967 5.325 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1813964565 ZKFLVIIGFJDUHA-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1)c1ccc(Cl)cc1 1814661576 XBJLECJDGUKUJR-KSFYIVLOSA-N 461.953 5.044 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)[nH]n1 1814827690 VGSYMFQRBDYZFO-NRFANRHFSA-N 489.542 5.217 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818605276 AAVSAWMABQBAFE-SFHVURJKSA-N 487.025 5.567 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1cccs1 1820223621 NEGPYQVJWOBECV-KBXCAEBGSA-N 467.982 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2)n[nH]1 1821131007 MVTBJYMEONZESG-QUCCMNQESA-N 458.509 5.085 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)cc(Cl)cc3Cl)n[nH]2)c1 1821204374 YRIRAWGDMADTML-LJQANCHMSA-N 486.334 5.347 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cc(Br)ccc3c2)n[nH]1 1821479300 CPCDWPNKUJNTCS-VFNWGFHPSA-N 496.409 5.239 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)n[nH]1 1821760060 WLDBLVAIPFVJIN-WNJJXGMVSA-N 497.643 5.079 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)[nH]n1 1821926424 QUBYFOHQQHJLTC-BTVXGKIHSA-N 471.399 5.090 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)Cc3cccc(Br)c3)n[nH]2)C1 1822247674 KJDXSLKFDSSFNN-IIBYNOLFSA-N 485.426 5.009 30 20 JKED CC(C)C1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CCC1 1823066935 LUIYBXKCUDSTGG-HXUWFJFHSA-N 498.425 5.176 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)cc(Br)c3)CC2)C1 1823704789 TYCSDMJABSTQDO-NRFANRHFSA-N 479.846 5.302 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1823752729 XHDXZNXNZQMUFE-QFIPXVFZSA-N 453.652 5.522 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1824140034 VOHGMKLJUVHOSH-OAQYLSRUSA-N 495.998 5.338 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824839602 LOEZPZRQDITLBS-DGSRBQDKSA-N 480.596 5.258 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)CC1 1825097754 AWYRHYVUDWGSPN-QHCPKHFHSA-N 493.614 5.645 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccsc3)CC2)cc1C#N 1825303961 IFBTUOQAINEWOX-UPXASZCJSA-N 491.657 5.354 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1)c1ccccc1 1827986961 PWVGWRPECAMTGH-DHIUTWEWSA-N 467.009 5.364 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828155945 MOODSFRYQKMNKK-LJQANCHMSA-N 464.553 5.485 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1828295780 WWLSIWSNJGRPKI-SANMLTNESA-N 489.019 5.549 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2Cl)CC1 1828904614 YZSGGEZDBCOJID-QFIPXVFZSA-N 474.121 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1829069026 FRMPFYBONZXLEG-QFIPXVFZSA-N 471.045 5.442 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 1829976146 XOSWOEUAHURGGP-HSZRJFAPSA-N 488.390 5.551 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830103364 XIXGUXNIKROFHP-MHZLTWQESA-N 473.617 5.089 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830595897 OAECRBNIAGCVLA-XMMPIXPASA-N 481.999 5.135 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1 1830633164 GGNWVFABBYSEPE-RUZDIDTESA-N 497.561 5.247 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830717614 YETWSDGFQPRFRU-AREMUKBSSA-N 459.565 5.122 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c(Cl)c1 1830720949 OUBBASGCJKQELY-QHCPKHFHSA-N 488.390 5.551 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1830769615 SYZIPKKIUJDLES-SANMLTNESA-N 475.658 5.201 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2noc3ccc(Br)cc23)CC1 1831038263 HJKGFXAMBRFVON-JXFKEZNVSA-N 488.426 5.036 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1831851572 KVSZKZGJXWYXKJ-LJQANCHMSA-N 486.937 5.535 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)cc1 1832386492 UAQBDYNQKAZDOC-JOMKWTIYSA-N 461.650 5.081 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)c1 1832633259 FEQLOSYICAUOGV-ZBLYBZFDSA-N 473.617 5.178 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)ccc2[nH]1 1832634044 NOEWDEWNPDJFRN-WTYVLRPYSA-N 482.628 5.651 30 20 JKED Cc1cc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1832635804 SPNFOTVCAAGJHT-NIYFSFCBSA-N 479.571 5.447 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C)cccc3Cl)CC2)CC1 1838373320 IULSIULMNHIYBN-QFIPXVFZSA-N 459.030 5.029 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C)c(C)c3)CC2)CC1)c1ccccc1 1838416616 DGNBPIGGPJESHK-LJAQVGFWSA-N 486.656 5.113 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C3)c(Cl)c1 1845488700 RAIHPELFMRICSU-UHFFFAOYSA-N 482.289 5.015 30 20 JKED C#CCCCCC(=O)N1CCCC12CN(C(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1846489322 JLGLSPUCLIKWRF-UHFFFAOYSA-N 489.635 5.435 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)nc3ccccc23)n(C2CCCC2)c1C 10408054 ZZCOFOTZRAGYHS-UHFFFAOYSA-N 450.926 5.089 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(C(C)(C)C)cc2)c1 11085022 OHXZSVUFNFYVHQ-UHFFFAOYSA-O 496.494 6.702 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 17733613 KOTZYRYQJPXFQW-GOSISDBHSA-N 460.433 5.296 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 21918905 UIUYGMNZNZQCRL-OAHLLOKOSA-N 481.599 5.190 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)nnc1[C@H]1COc2ccccc2O1 23592350 FVPPHPVTBHIFHO-NTKDMRAZSA-N 492.645 5.145 30 20 JKED N#Cc1c(NC(=O)COC(=O)Cc2csc(-c3ccccc3Cl)n2)sc2c1CCCCC2 26674426 LJSSUPIYPADMFV-UHFFFAOYSA-N 486.018 5.390 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793408 YRJDNCUUIMQGNA-UHFFFAOYSA-O 462.639 5.778 30 20 JKED C[C@@H](Nc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1)c1ccccc1 109151917 OVMJPMZMVFXPKR-LJQANCHMSA-N 481.556 5.834 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 195652851 NFCLSPITPBKLBB-XJKSGUPXSA-N 486.931 6.238 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 195664188 LCUUIJAICQTPIF-OAHLLOKOSA-N 477.933 5.162 30 20 JKED N#CC1CCN(C(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)CC1 195745650 LBUXWPIGWAYIFK-UHFFFAOYSA-N 452.630 5.331 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccccc1F 216868066 DEWCGRXAJGFPPF-CYBMUJFWSA-N 479.562 5.682 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O 255732116 HIBRJIFCAPJKQM-HXUWFJFHSA-N 453.951 5.402 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 255949282 JMFILBBGXAPBAY-UHFFFAOYSA-N 467.963 5.571 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCCOc2cccc(Br)c2)cc1 302926877 DJOZEXFFZOGQAR-UHFFFAOYSA-N 455.274 5.071 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 303181917 YLSAAYZUYSLTBF-OAQYLSRUSA-N 470.554 6.338 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(NC(=O)c2ccco2)cc1C 303193154 MSBUPYSXZOAASP-UHFFFAOYSA-N 471.538 5.913 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)cc1 303226268 WWWNAJKZWNLVGX-HXUWFJFHSA-N 455.558 5.297 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1 498372159 JACRVVXGUWSQSJ-UHFFFAOYSA-N 490.368 5.510 30 20 JKED O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 499286689 BUDLQBGODPTPIH-UHFFFAOYSA-N 475.349 5.306 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)cc1 500757518 IDEPTZCDBJJXPV-UHFFFAOYSA-N 496.588 6.194 30 20 JKED C=CCN(C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502961812 POCQLASUNVYJKV-JXFKEZNVSA-N 468.431 5.090 30 20 JKED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 504861860 CSMUQTLFIOOYML-CQSZACIVSA-N 473.360 5.077 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 505182756 VRVGAXVJMNLRSU-SILNSSARSA-N 483.553 5.473 30 20 JKED CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@@H](C)c1ccccc1Br 506478703 UXQXBQMRKYZBKD-INIZCTEOSA-N 472.383 5.046 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 507887033 JDDOFERMQKOVLX-UHFFFAOYSA-N 493.485 5.860 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)cc1 508131974 MOFDLBHTWAKELI-UHFFFAOYSA-N 482.609 5.922 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(Oc5ccc(C#N)cc5OC)cc4)CC3)c2c1 508251793 LTQGQQNOIDXPII-UHFFFAOYSA-N 494.551 6.170 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 508271416 ZXXDYCMHBPUKQG-JOCHJYFZSA-N 473.529 5.745 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1 508283160 WOTIHKXBAOJZJO-UHFFFAOYSA-N 454.530 5.921 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4ccc(Br)cc4)CCOCC3)cc2)cc1 508585473 CYHMSYZXMJRXFG-UHFFFAOYSA-N 477.358 5.800 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 509228231 UVHYBYDVPYDIIV-IBGZPJMESA-N 461.587 6.280 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 511381468 IRXUUEGKQQFKBG-QFIPXVFZSA-N 468.557 5.214 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)Cc2ccc(C#N)cc2)c(OC)c1 512977846 SWXZURAMUVYCQB-UHFFFAOYSA-N 453.542 5.315 30 20 JKED C[C@@H](Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 513208968 CULJZGYKMDXELZ-CQSZACIVSA-N 453.329 5.556 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)s2)cc1 514815298 FJGWLQRZMCHCKV-UHFFFAOYSA-N 489.557 5.346 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c12 514923449 RFSBHDCJMREECQ-UHFFFAOYSA-N 456.556 5.253 30 20 JKED COc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 516034081 OBFALPRSWKBBHF-UKILVPOCSA-N 473.960 5.306 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 517925141 CVCYOBITGGHAQW-MRXNPFEDSA-N 487.946 5.523 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)s2)cc1 518633318 RDJKVBIWWVFBOW-FQEVSTJZSA-N 461.635 5.133 30 20 JKED CC(C)c1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(C(F)(F)F)cn1 519433196 WQAQYQGTCQSDJT-HNNXBMFYSA-N 473.524 5.914 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519979260 ZMDPWFHFJXDCLF-AWEZNQCLSA-N 454.313 5.414 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 520183505 BQNUGQGATFNTBT-GOSISDBHSA-N 467.491 6.575 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc12 520431536 RIOVKPOPBSNVHO-NSHDSACASA-N 488.313 5.831 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccccc3Oc3ncccc3C#N)s2)cc1 520790760 CUBIZWYEGYSOJP-QGZVFWFLSA-N 497.580 5.302 30 20 JKED COc1ccc(-c2nc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)sc2C)cc1 524228050 FAEPHDLULOWHDJ-UHFFFAOYSA-N 488.529 5.065 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2C(F)(F)F)c1 524391079 UNOIRQFGNIGSSH-UHFFFAOYSA-N 490.485 6.211 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c2c(nc3ccccc13)CCN(C)C2 551330582 JFVIHXRXMIPCLT-UHFFFAOYSA-N 462.553 5.234 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(Br)cc1 553356766 BARVYWHLCWQPTB-OXJNMPFZSA-N 458.425 5.476 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1Br 589923461 IGFVIXKACQIQJC-HNNXBMFYSA-N 457.349 5.388 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H]1c1ccccc1OC 603623862 OKFKJFWMDDDTCB-UFHPHHKVSA-N 498.583 5.473 30 20 JKED Cc1nc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)sc1SCC#N 603774978 NSXGSEGCDZZUAI-UHFFFAOYSA-N 465.625 6.499 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 608817527 XVLYBGIHMXVYTA-QFIPXVFZSA-N 482.515 5.346 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 608855480 NUTVJROKTLQGBG-UHFFFAOYSA-N 494.580 5.204 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 609080817 NXVJYXBTFXZWEW-JOCHJYFZSA-N 491.595 5.909 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)cc2F)c1 609103843 DQFQHUNBZFMLIR-UHFFFAOYSA-N 465.406 6.096 30 20 JKED CN(C(=O)c1cc2cc(Br)cc(Br)c2o1)c1ccc(C#N)cc1F 609217213 ZRSRQGTZCFNYMJ-UHFFFAOYSA-N 452.077 5.245 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(C)cc2)cc1 609438283 AZJKDVWUTCHSHS-CLOONOSVSA-N 473.598 5.242 30 20 JKED Cc1ccnn1-c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613346722 OTAVOQSZMMTZMU-GOSISDBHSA-N 453.354 6.101 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 613407484 UXYXQIYJFWJRSJ-BEFAXECRSA-N 488.034 5.311 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613407490 VDEGJEIPSBCGOH-IBGZPJMESA-N 492.025 6.479 30 20 JKED O=C(NCCCc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620148068 XJGXCFCOJMBXQO-FICVDOATSA-N 464.372 5.847 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)o1 620304603 RYBSGHHTABWDSV-ZDUSSCGKSA-N 456.499 5.197 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 642282693 WCXWSPKBVLFONT-LJQANCHMSA-N 483.478 5.783 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 643097884 BXSRUZICHURVTD-OAHLLOKOSA-N 462.648 5.059 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)c(OC)c1 643189151 HTNMQWPGOAQKAU-UHFFFAOYSA-N 484.474 5.712 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nc2sc3c(c2c1=O)CCC3 648067067 QESROMUHEFOCOF-LBPRGKRZSA-N 458.559 5.731 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1F 726393181 MZEIRZDKMPKFPP-ORAYPTAESA-N 481.952 5.004 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 726399188 MVXQCZWQDHEEGK-JLTOFOAXSA-N 477.989 5.173 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1c(C)nn(-c2ccccc2)c1C 727061791 OERBFXUMQGWMTD-UHFFFAOYSA-N 459.575 5.126 30 20 JKED N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(SC(F)F)cc1 727954061 UJTHBMGDSIRZAM-OAQYLSRUSA-N 458.530 5.603 30 20 JKED CCS(=O)(=O)c1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 728413086 ZCIHCQBIMMINKR-KRWDZBQOSA-N 479.410 5.329 30 20 JKED Brc1ccc(-c2nc3c(s2)C(=NNc2nc(-c4ccncc4)no2)CCC3)cc1 728429662 LOSUYJWYQLQDEA-UHFFFAOYSA-N 467.352 5.170 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1Cl 728737327 LNKGGFYWUFAUOK-KNQAVFIVSA-N 473.882 5.869 30 20 JKED Cc1ccc2c(c1)[C@@H](N1C(=O)[C@H](CC(=O)Nc3cnccn3)SC1=Nc1ccccc1Cl)CC2 730713805 BACKNJPLNATEBP-SFTDATJTSA-N 492.004 5.086 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 731078832 RGDWQWSOGNHCKW-JLSDUUJJSA-N 473.392 5.129 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)cc2Cl)c1 731108455 RNMAZPIXFLBAMY-AREMUKBSSA-N 493.966 5.907 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1cccs1)c1cccs1 731312125 LCLHQOPZQUCHGM-QGBHTJAESA-N 485.656 5.148 30 20 JKED CC(C)(C)c1nc(C#N)c(NN=Cc2cc(Br)ccc2OCc2ccccn2)o1 746498133 JUKSAEQIMKPFSP-UHFFFAOYSA-N 454.328 5.026 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1F 746697723 KQXSEXXLNMGSLH-LJQANCHMSA-N 497.514 5.018 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(CCOC(C)(C)C)C2=O)c1 746697728 KSRLPJAPHKOTIW-NRFANRHFSA-N 489.588 5.357 30 20 JKED COc1ccc(/C=C2/SC(=S)N(CCSc3ccccc3)C2=O)cc1OCCCC#N 747472941 KUEVEOAPRHAUHP-LTGZKZEYSA-N 470.641 5.371 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cscn3)C2=O)cc1 747600993 SHHHJYXDRQOOBI-QFIPXVFZSA-N 494.642 5.319 30 20 JKED CS(=O)(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1Br 749344085 QRNVJCWHOLRCMC-AWEZNQCLSA-N 495.807 5.120 30 20 JKED N#Cc1ccccc1/C=C\C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 775063909 MAZWMMNMCQMULS-OCUNKTDNSA-N 461.861 5.056 30 20 JKED COC(=O)C(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)=C1Nc2ccccc2N1 779458832 LBXJEOUKBJDAEB-UHFFFAOYSA-N 486.528 5.019 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@H](C)c3ccccn3)C2=O)cc1 837302429 WTJDGQCHKAXCTJ-AUSIDOKSSA-N 458.587 5.420 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1ccccn1 838519712 OBWVQMZXCJNHHX-QRQCRPRQSA-N 496.539 5.090 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(C2CCCC2)C1=O 838523493 XQKVNUMWWDJUHL-QHCPKHFHSA-N 481.618 5.387 30 20 JKED N#CCCN(CCC#N)Cn1c(=S)n(-c2cccc(C(F)(F)F)c2)c2ccc([N+](=O)[O-])cc21 915794575 XJEOUUZNXQBAJB-UHFFFAOYSA-N 474.468 5.175 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3OC)c(OC)c2)c(F)c1 916141574 MCZQELQJZILPOB-WMZJFQQLSA-N 499.922 5.419 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(OC)c1 916205076 FBRPWGFEKNTMQW-XMMPIXPASA-N 491.613 5.235 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)c(C)c1 916207935 PILDIVDOGQDULX-QHCPKHFHSA-N 476.577 5.041 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O 916211681 FJEWNEQSAKGPCW-FQEVSTJZSA-N 469.950 5.102 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1 916902066 CTNRJGGRZOZVLF-KRWDZBQOSA-N 486.018 5.675 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1-c1cccc(Cl)c1 916906124 BVJCWVZHXWPBTA-OAQYLSRUSA-N 470.916 5.588 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1ccc(F)c(Cl)c1 916937168 CGPANBHEUCRYPR-OAHLLOKOSA-N 496.976 5.590 30 20 JKED CCCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043529 MRBKFFKSZAIBQC-QGZVFWFLSA-N 460.477 5.943 30 20 JKED CCCCCCn1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc2c1=O 917047252 UYWBHUUTJNMFTH-SFHVURJKSA-N 464.978 5.730 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cn(Cc2ccccc2)c2ccccc12 917507110 OIQVNEMZGSOZKN-NRFANRHFSA-N 467.525 5.017 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2ccccc2)C=C1 917606946 KCCXGCWLLRAJOQ-UHFFFAOYSA-O 461.607 5.757 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc3ccccc3c2)cc1 917609952 ITIGDYMDJNDKOU-UHFFFAOYSA-O 470.618 6.007 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2c(C)noc2C)C1=O 920358239 ZLHSSWIPBSQZED-NRFANRHFSA-N 498.992 5.114 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2csc(-c3ccc(Cl)s3)n2)c2ccccc21 920675644 APCFHILCNMEYDE-UHFFFAOYSA-N 455.948 5.433 30 20 JKED O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(SC(F)(F)F)cc1 920836163 VMEQPZVVHGPLFY-RKDXNWHRSA-N 475.398 5.486 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 920867892 WVSVIYBCGXOZTF-AUUYWEPGSA-N 497.514 5.087 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(Br)c2c(c1)OCCCO2 921255166 KLLBWRXBAMTEEM-UHFFFAOYSA-N 496.386 5.239 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@](C)(CC(C)C)c1cccc(Br)c1 1543825409 OVRBYKPCAZLYJM-HSZRJFAPSA-N 458.400 5.049 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Br)cccc4c3)CCC2)cc1 1787647608 MQYMWUBSPKTVIU-UHFFFAOYSA-N 462.347 5.264 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(OC)c3)cc2)CCC1 1788359193 ZFIASHAJCXBJRI-FQEVSTJZSA-N 485.584 5.096 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4)cc3)CCC2)cc1C#N 1788462890 KNFIKDASSIIUGM-UHFFFAOYSA-N 493.567 5.235 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1788671701 ROBNNNZEWVLEHZ-UHFFFAOYSA-N 454.530 5.092 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cn5cc(Cl)ccc5n4)cc3)CCC2)c1 1788936583 CGEBRPOSJIOQHS-UHFFFAOYSA-N 497.986 5.240 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc2)CCC1 1788988770 LRSAFPQZDDCOII-QGZVFWFLSA-N 463.965 5.227 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)/C(C)=C/c4ccc(C)o4)cc3)CCC2)c(C#N)c1 1789585515 IPNVWRHZJOOLIK-XDJHFCHBSA-N 483.568 5.248 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCC=C(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1790453409 GTODVAHNLLFWAI-QHCPKHFHSA-N 483.653 5.726 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC(C)(C)C3)CCC2)cc1 1790471781 SAGIBDVDFMDAGN-HSZRJFAPSA-N 495.664 5.254 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])CCC3)cc2)cc1 1790707969 LJWXBWVSMKKSES-XNTDXEJSSA-N 480.524 5.122 30 20 JKED COC(=O)CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767618 CJUREEAEDUWCOE-UHFFFAOYSA-N 481.980 5.083 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cccc4ccncc34)cc2)CCC1 1790858760 FQHPIIXKWKFNFU-VAWYXSNFSA-N 481.577 5.483 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790867462 DFXYWJMRPWWVIS-QGZVFWFLSA-N 463.965 5.227 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Br)ccc4c3)cc2)CCC1 1790912561 NMELVOPHXGDZDV-UHFFFAOYSA-N 476.374 5.158 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccc(Cl)cn4c3C)cc2)CCC1 1790976845 ZCUKDLDSVRMOEA-INIZCTEOSA-N 450.970 5.256 30 20 JKED CC(C)CN(CC(C)C)[C@@H](C(=O)Nc1ccc(C2(NC(=O)CC#N)CCC2)cc1)c1ccccc1 1791129852 GTCREDOBSAJRSQ-HHHXNRCGSA-N 474.649 5.389 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C(F)(F)F)CCC2)cc1 1791243562 ULEPWFRFELKEGA-QGZVFWFLSA-N 459.512 5.379 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc4nc[nH]c4c3)CCC2)cc1)c1ccc(O)cc1 1791646392 SLVYYPWAXQCZSD-OAQYLSRUSA-N 492.579 5.213 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791712366 SRXIFGFSKMETHX-URXFXBBRSA-N 495.664 5.536 30 20 JKED CO[C@](C)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2)c1cccc2ccccc12 1792524265 GZFQARJHTPXBHK-WOCSQUIESA-N 495.623 5.280 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)cccc1C(F)(F)F 1799307243 PTCFXNWIYOEMSG-BJWYYQGGSA-N 475.898 5.105 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)C1 1800278316 KGICMNYBSJAARS-ZFFYZDHPSA-N 450.529 5.103 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)C3)c1 1803679495 NMSURIDBWSWEBX-UBANXMIISA-N 461.993 5.023 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)CC1)c1ccccc1 1804731962 IBLRMLWTSKEAOE-SANMLTNESA-N 495.623 5.384 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)s3)[C@H]2c2cccnc2)c1 1805530046 JNSWMTGLNYFBKC-NIJIEXERSA-N 479.005 5.057 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1810178211 MYUIOBMHALKWHH-YZZKKUAISA-N 473.951 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@@H]1c1cccnc1 1810494357 HICNNHLQAZBMHF-RBJSKKJNSA-N 496.655 5.764 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1811164068 VQEGKBLKQQRARK-RPLLCQBOSA-N 482.628 5.456 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811539881 UVBCBRKLZSMWGY-OKEQGEBHSA-N 498.627 5.178 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3c(Cl)cccc3Cl)[C@@H]2c2cccnc2)cc1 1811716245 OVXZYMWBNWWVGM-YKSBVNFPSA-N 493.394 5.088 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccoc23)[C@H]1c1cccnc1)c1ccccc1 1812230681 VITKJYHEVLRBPF-UNCTUWKVSA-N 491.591 5.345 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1812935053 LAUZQERVYNZPNX-ZQIDGUAPSA-N 488.607 5.109 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1813768582 OUGMPWMPZOFOBW-REDKUUPNSA-N 460.405 5.229 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)[nH]n1 1814441541 MVQCHORDUAEOAC-QGZVFWFLSA-N 464.397 5.410 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)[nH]n1 1814442678 WOTXZDXVAZJXHB-HXUWFJFHSA-N 478.622 5.227 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1814742418 DCBLUELLFHSMJU-QFIPXVFZSA-N 472.932 5.167 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)[nH]n1 1814829438 QWUSOUSAKWVFSN-HCUBDLJJSA-N 462.619 5.058 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCC(F)(F)CC3)n[nH]2)cc1C#N 1815023933 XEZYWOSFXDGEPJ-OAQYLSRUSA-N 499.562 5.200 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CCCCC3(F)F)n[nH]2)c1 1815354269 UQLSNGAFSVEPJM-BSIFCXSSSA-N 469.536 5.168 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)n[nH]2)c1 1818931149 IUUBTMFZZGPFRZ-UECWXEIQSA-N 477.584 5.333 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)[nH]n1 1819308113 VQOZUQAWAQDLBK-FXAWDEMLSA-N 456.974 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)[nH]n1 1819310844 BYPOPJVBAVKUOO-XMSQKQJNSA-N 484.000 5.096 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1819384954 GGHDBNVRGMPJKY-QHCPKHFHSA-N 487.680 5.315 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)[nH]n1 1819554047 AZWRPFYSGTXQLZ-QGZVFWFLSA-N 466.504 5.628 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)n[nH]2)C1 1820822744 AGMVAVKZGOJQOB-XXBNENTESA-N 492.023 5.623 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821290158 PAVYNYAMDCAJTG-YVEFUNNKSA-N 453.345 5.374 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)cc(C(C)C)c2)n[nH]1 1821333994 WTGUIAVEESDPIA-FQEVSTJZSA-N 471.399 5.015 30 20 JKED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3cccc(Br)c3)cc2)n[nH]1 1821361172 SBYQEQPOAXEOJL-NRFANRHFSA-N 492.377 5.059 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1821986722 WDYIHGPOWWWKMY-MRXNPFEDSA-N 462.497 5.281 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1 1823379688 LPSNCSDQUVNPBF-GOSISDBHSA-N 460.365 5.025 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(OC(F)(F)F)cc3)CC2)C1 1823700903 MUXFLSNFCLWSAC-KXOMFBTKSA-N 476.539 5.184 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)C1 1823701131 APPPPWMUEJFRJX-FQEVSTJZSA-N 453.385 5.332 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccc(F)cc2)CC1 1823751422 STPSKGPJNHODEB-XMMPIXPASA-N 458.618 5.207 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nn(CC)c3ccccc23)CC1 1824140992 CZSCYDCVHXJVGJ-DEOSSOPVSA-N 462.638 5.058 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)C3)CC1 1824141255 LRGWTPXGIJJMSV-VWLOTQADSA-N 464.650 5.402 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824876860 YQOHMWHERPBFHC-IBGZPJMESA-N 496.467 5.810 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c1Cl 1825036103 NDMWDTQGJMNQFA-FQEVSTJZSA-N 490.456 5.403 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1825097422 WYIWJVUCKGVBRW-SHQCIBLASA-N 461.650 5.407 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)c1 1827334578 OVHRCCCAYRWIOK-AHWVRZQESA-N 479.690 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828132801 CNGPEZAZSSOSKG-OAQYLSRUSA-N 453.652 5.522 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)CC1 1828232546 SCHYDIWSLWMTKA-SANMLTNESA-N 461.650 5.769 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)c1 1828414206 SQIAVHIOVNVGCB-GBXCKJPGSA-N 453.602 5.219 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1 1828906475 OCLCWQRNWHBTQX-HSZRJFAPSA-N 462.726 5.330 30 20 JKED CSc1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906630 XZMUOSRHVBNEPA-QHCPKHFHSA-N 485.770 5.088 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1829005227 WRSOZMQJOZMWIF-BAMUOBTLSA-N 473.617 5.116 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1)c1ccccc1 1829029696 FFCQKPHROXEPHB-FTJBHMTQSA-N 484.631 5.629 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562565 DRILUIKHLHLQRT-HYBUGGRVSA-N 475.658 5.158 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc3cnccc23)CC1)c1ccccc1 1829593729 UGDRRTICDUBWMH-PXJZQJOASA-N 494.639 5.060 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829673349 OCBSYPNRSJJSAA-OFVILXPXSA-N 451.586 5.309 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)CC1 1830292612 XACCEBOWQRQYOP-AREMUKBSSA-N 479.640 5.529 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830493008 DWFLETHOKCFKRY-YADARESESA-N 452.620 5.031 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)c1 1830718146 UCNDAOQIBGVWLS-MUUNZHRXSA-N 483.587 5.327 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)s1 1830720801 YORVMPXAEPSANN-NRFANRHFSA-N 456.011 5.129 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)cc1)C(F)(F)F 1831235615 RNUNLUOTBITRHJ-PGRDOPGGSA-N 477.571 5.064 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccn3)nc3ncccc23)CC1 1831373358 CNCNCAQCLXYXJT-ZBLYBZFDSA-N 497.643 5.137 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1831374331 OANIQWNSOQMJOH-CUNXSJBXSA-N 487.644 5.384 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1831446674 DQHLQRNFPPXJCB-LJQANCHMSA-N 460.899 5.063 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1)C(F)(F)F 1831451304 QNSFTFVKWXWYKX-XMMPIXPASA-N 485.550 5.409 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1)C(F)(F)F 1831452792 CGFCZFWPQGFYFL-QHCPKHFHSA-N 486.534 5.831 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)c1 1832552461 NXMNQYHORYBCMM-VWLOTQADSA-N 480.008 5.076 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccs3)CC2)c1 1832635125 VARJHVDMHCQEMK-NLFFAJNJSA-N 463.647 5.241 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832635748 QTZJRZVOXPRGQR-KPURRNSFSA-N 499.655 5.650 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc3ccccc3c1Br)C2 1844203655 BAKPSEGVFJVDPR-LJQANCHMSA-N 467.407 5.188 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C2)c(Cl)c1 1846898436 BZYRFJNEAFTKLN-UHFFFAOYSA-N 483.182 5.303 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1ccc(Br)c2ccccc12 1847265035 XOUVGHIXJPXMOU-VXKWHMMOSA-N 499.449 5.175 30 20 JKED C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(Cl)cc1Cl 9826160 XYTSKEMGSAATIH-UHFFFAOYSA-N 475.445 6.294 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccc(OC(F)F)cc1 10172736 VJINLFQODUBHGO-UHFFFAOYSA-O 472.493 5.097 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc(N(C)C)cc2)c1 10174160 IPZHETCHUQPKJL-UHFFFAOYSA-O 488.555 5.606 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc2c(c1)CCCC2 10174293 NJNZSPWZFDQPTI-UHFFFAOYSA-O 451.562 5.744 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccccc1OC 11810735 UITVSLRPGMZNPO-KRWDZBQOSA-N 483.663 5.443 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)c1 14872237 ULBWWHXLGNKRAR-UHFFFAOYSA-O 475.634 5.656 30 20 JKED CC(=O)Nc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16414220 JFJCFWREWGWDIR-HNNXBMFYSA-N 475.570 5.184 30 20 JKED C=CCn1c(SCc2cc(=O)n3c(C)csc3n2)nc2sc(-c3ccccc3)c(C)c2c1=O 17131786 CQPAGBAKNFZSJH-UHFFFAOYSA-N 492.651 5.290 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2C2CCCCC2)cc1OC 21170284 RUFQYYDKVRIMHX-GKVSMKOHSA-N 485.654 5.003 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1 21456026 FIUOIMYMWNBOHK-LBPRGKRZSA-N 478.361 5.465 30 20 JKED COc1cccc(NC(=O)[C@@H](Sc2nc(C)cc(C(F)(F)F)c2C#N)c2ccccc2)c1 21514647 VPEVTTKWUPXDCA-FQEVSTJZSA-N 457.477 5.761 30 20 JKED CCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(Cl)cc1 21669970 MNVKKLDFFSQDIH-CYBMUJFWSA-N 472.039 5.550 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730516 YEEHPEPNVKRYAM-UHFFFAOYSA-O 485.604 6.154 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(Cl)c(OCCC)c(OCC)c2)nc1C 22972775 HOSUZRRXVZOKPU-UHFFFAOYSA-N 494.042 5.278 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 23518324 HJNFDLYRYJINRL-ZDUSSCGKSA-N 487.557 5.050 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccc(OC)cc1 23997993 SPBRCGGIWZWRLW-AWEZNQCLSA-N 473.396 5.022 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1ccccc1OC 25352759 GHVTULAXAGCOPR-UHFFFAOYSA-N 473.480 5.501 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(F)ccc2Br)n(C2CCCCC2)c1C 25805227 XDYUGSHOOSIDQI-UHFFFAOYSA-N 476.346 5.179 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 33196946 YDUCYZZCVXVKCC-HUUCEWRRSA-N 472.454 6.349 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)c2)c1 71944217 UBWDQPBAPKYDGI-UHFFFAOYSA-N 450.498 5.638 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 71965932 UNPCXSMOZMEPKI-UHFFFAOYSA-N 456.571 5.267 30 20 JKED COc1cccc(/C=C\C(=O)c2sc(/C=C\c3cccc(OC)c3OC)nc2C)c1OC 96316146 HSMISUICERBSGM-DZDAAMPGSA-N 451.544 5.552 30 20 JKED CC1C/C(=C/c2csc(-c3ccccn3)n2)C(=O)/C(=C\c2csc(-c3ccccn3)n2)C1 206943882 YORFGMUGJYILCX-MZGHLJKDSA-N 456.596 6.190 30 20 JKED CCOc1cc(Br)c(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OCC 303332432 JWRUSHBTGBTVTB-HNNXBMFYSA-N 477.424 5.822 30 20 JKED CCCC[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(OC)cc1 483782444 FRKMOHGSNCHBTL-NRFANRHFSA-N 462.550 5.079 30 20 JKED Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1S(=O)(=O)Nc1ccccc1Cl 485074914 DEUYZKWVUBCTON-UHFFFAOYSA-N 471.991 5.052 30 20 JKED O=C(C[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 495828439 CYKLVLXIOHCRRU-XIFFEERXSA-N 494.388 5.406 30 20 JKED CN1CCc2nc3ccccc3c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2C1 501447941 GLWUREBQBFQQSN-UHFFFAOYSA-N 462.553 5.120 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(c3nc(-c4cccnc4)nc4sc5c(c34)CCCC5)CC2)c1 502283824 BMSAQDUALAIUGP-UHFFFAOYSA-N 494.624 5.359 30 20 JKED C=CCN(C(=O)CSCC(=O)N(CC)CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502959846 DOBPVTVCQBETIY-UHFFFAOYSA-N 472.463 5.238 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 505780089 WGWKIKYCWJLJAD-UHFFFAOYSA-N 452.558 5.292 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2cc(Cl)ccc2s1 507031714 MXZBZKIMHMARBN-MRXNPFEDSA-N 461.959 5.749 30 20 JKED C=CCn1c(SC[C@@H](O)COCc2ccccc2F)nc2scc(-c3cccs3)c2c1=O 508503671 KEXOFRMNWRKRHL-INIZCTEOSA-N 488.631 5.181 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 509559603 MEHKPLHPWWLVGS-UHFFFAOYSA-N 487.940 5.191 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)c2)cc1 509921409 ZMQZCZYFSYMIPT-UHFFFAOYSA-N 490.554 5.396 30 20 JKED CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccccc4SCC#N)o3)cc2C1 509948985 NKURYXOBEOXROP-MRXNPFEDSA-N 498.699 6.296 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)c1nccs1 509990982 DWTHABCKKJHLRK-DEOSSOPVSA-N 454.555 5.813 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 509991390 FXIFQKRKTBGQOU-HXUWFJFHSA-N 490.554 5.635 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 510004806 HRDIYBGZXRIJJW-UPVQGACJSA-N 490.394 6.293 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1OC(F)F 512917181 HPKLFJLFIDQQCR-MRXNPFEDSA-N 481.524 5.381 30 20 JKED C=CCn1c(SCC(=O)NC[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 512920969 GCOWUSXQFDLGMV-AWEZNQCLSA-N 479.408 5.589 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc(O)c2c3c(sc2n1)CCCC3 513677176 RQQDLDNHMUKWPN-CYBMUJFWSA-N 488.619 6.104 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 513978952 VPZZQVXGDLUKAN-UHFFFAOYSA-N 476.939 5.477 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)nnc1-c1cccs1 514424738 LMJNGNBUHWAZHG-UHFFFAOYSA-N 476.587 5.125 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)nnc1-c1cccnc1 515562843 SQPSRTGWVMDZLQ-JOCHJYFZSA-N 461.635 5.279 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515654972 JCRCMUWYUDKKDU-UHFFFAOYSA-N 484.987 5.969 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4cnco4)cc3)s2)c(C(F)(F)F)c1 515799421 QCXOOKQHLADYST-UHFFFAOYSA-N 454.433 5.532 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)o1 516398885 NIEAONOHQVDAOZ-UHFFFAOYSA-N 464.934 5.875 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 516463801 ZFDHANVFWAFXSD-GFCCVEGCSA-N 473.524 5.142 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cs1 517525243 IGTHCEVCZZDAIQ-HOTGVXAUSA-N 464.616 5.329 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 517893508 PGXYJSXHUVLBCE-UHFFFAOYSA-N 461.565 6.566 30 20 JKED N#CCCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 518120919 VHVAECKNNGPVPL-UHFFFAOYSA-N 498.457 5.039 30 20 JKED N#C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cccc(Cl)c1Cl 519485207 KHXKWOCSUGXZTJ-AWEZNQCLSA-N 464.403 5.121 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 520603604 RCGLMBCRMWSHLR-UHFFFAOYSA-N 454.574 5.726 30 20 JKED Cc1ccc(C)c(-c2nn(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(=O)c3ccccc23)c1 520825056 TYDDBZMTMRHQOL-FQEVSTJZSA-N 482.609 5.713 30 20 JKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 520932512 FFNYVLKSPNSIMF-KRWDZBQOSA-N 458.587 5.125 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccsc2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 522392959 JPHZPOPYYOCIBO-UHFFFAOYSA-N 462.556 5.983 30 20 JKED Cc1ccccc1CN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 523526531 ZNIJSZCXIYHCAQ-UHFFFAOYSA-N 470.592 5.382 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCc2nc3c(s2)CCCC3)cc1 524043308 GODOFYJEFSYTSA-UHFFFAOYSA-N 462.575 5.449 30 20 JKED COCCc1ccc(Oc2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2)cc1 524565081 GRCNXLKKSKNOFV-UHFFFAOYSA-N 470.573 5.284 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)cc2)cc1 551114711 HFRLIMKOYAHHQX-HSZRJFAPSA-N 451.885 5.748 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1Br 589923463 IGFVIXKACQIQJC-OAHLLOKOSA-N 457.349 5.388 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCC(c2nc(-c3ccccc3)no2)CC1 591486969 YJSOZYVBPYCXEU-UHFFFAOYSA-N 454.555 5.609 30 20 JKED C=CCn1c(SCc2ccc(C(=O)NC)cc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 595891804 MAHKBNIFYPFMKI-UHFFFAOYSA-N 479.602 5.410 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)s2)cc1 603637252 TVJIGKHCBGIKTF-UHFFFAOYSA-N 483.578 5.405 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 603974693 ICVHICFUEXHJTO-UHFFFAOYSA-N 455.495 5.754 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 604103489 VBCRDSIDDHRVAV-IBGZPJMESA-N 473.508 5.076 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1Oc1ccccc1 608797615 IMEHNQYMLZNZHR-LJQANCHMSA-N 478.508 5.354 30 20 JKED CCc1c(C)sc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(OC)c(OC)c2)c1C#N 609033151 MKBAMPQUQSAQRZ-UHFFFAOYSA-N 495.626 5.491 30 20 JKED CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)cc1 609060959 KYGAQOPSNLZSJT-UHFFFAOYSA-N 488.521 5.178 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccccc3Cn3cccn3)cc2Cl)c1 609079738 HOJRUMHFUUKFRH-UHFFFAOYSA-N 471.948 5.357 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)o2)cc1 609174598 OKPWKMFBHQBVSK-SANMLTNESA-N 463.493 5.304 30 20 JKED COc1ccc(Sc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cc1 609208577 VMQWJZMYBFVCLY-UHFFFAOYSA-N 459.571 5.793 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)c(C)c2)n1 609424524 YDWQJRBPLXFQEE-UHFFFAOYSA-N 467.595 5.276 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)n2)cc1 612941778 XCVALLWQMLKVCM-QHCPKHFHSA-N 493.654 5.562 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccc(F)cc1F 613320047 QWDMIQAIPOSCOE-MRXNPFEDSA-N 454.889 5.726 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1Cc1ccccc1 613344790 QSRPBASNRWEELM-GOSISDBHSA-N 467.381 6.160 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1cccc(C)c1 613930279 IWDRSKDBJJOZSO-INIZCTEOSA-N 476.524 5.308 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-c2cc(O)nc(C)n2)cc1 623734658 PNABYURCXOGGGY-UHFFFAOYSA-N 471.330 5.279 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 726396063 CSAOSLHXKDRAGI-OXQOHEQNSA-N 493.551 5.399 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(C[C@@H](C)c2c(Cl)cccc2Cl)C1=O 726414045 YRCWWPPHQLOXKS-XIKOKIGWSA-N 498.407 5.012 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CC(F)(F)F)C1=O 726416215 SUMSYZXHCWRPHG-LJQANCHMSA-N 495.523 5.005 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2ccc(F)cc2)C1=O 726419449 FKTYKHDEJWPIGS-QGPWZHNMSA-N 497.617 5.486 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCc3nccs3)C2=O)cc1 726420444 LSBMVYYLKYAUBH-SZNUYGOPSA-N 484.672 5.146 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccccn3)C2=O)c1 726422374 VRWMFTRZVOMJPA-IAYWTGDDSA-N 478.643 5.350 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(N3CCCC3=O)c2)[n+]2ccc3c(c2)CCCC3)c1 726573039 XCBXJELBCQPCRT-UHFFFAOYSA-O 494.640 5.284 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cccc(C)c2)cc1F 726574415 ADPKARGWCFSBOE-UHFFFAOYSA-O 494.612 5.550 30 20 JKED Cc1c(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727266798 GCIGHOFDXMTJLR-HJWRWDBZSA-N 469.457 5.264 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1OC 728136373 OFUCJKXKHCHMOX-QFIPXVFZSA-N 477.948 5.005 30 20 JKED Cc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1c(Cl)cccc1Cl 728412173 QMKFBIJTQYJFQS-NSHDSACASA-N 483.142 5.151 30 20 JKED COc1ccc(NC(=O)[C@H](OC(=O)CSc2ccc(C#N)cc2)c2ccccc2)cc1Cl 728675517 JWFNOMUUJXKSBM-HSZRJFAPSA-N 466.946 5.236 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C(C)C)C2CCCC2)ccc1Cl 728807949 CVRUTZAJADKKPG-UHFFFAOYSA-N 461.027 5.515 30 20 JKED N#Cc1ccc(OC2CCN(Cn3nc(-c4ccco4)n(-c4ccccc4)c3=S)CC2)cc1 728903041 HUOPWOVLJUITJZ-UHFFFAOYSA-N 457.559 5.036 30 20 JKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C\c1ccc(N2CCOCC2)cc1 730436854 MRGNPBMWTVRNRZ-FLIBITNWSA-N 469.404 5.614 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730459025 FFILQTQKYOLHLT-SFHVURJKSA-N 497.539 5.792 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730459428 JFCULYZJGQGIEV-HXUWFJFHSA-N 475.536 5.835 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944601 YMTGZKSMPSTNGG-MBSDFSHPSA-N 476.577 5.559 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731071069 VDYSJBBZFBNUHL-ZDUSSCGKSA-N 457.602 5.370 30 20 JKED N#C[C@@H](NC(=O)CCCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl 731195476 HSJKPASKLMSAIT-IAGOWNOFSA-N 498.197 5.532 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)c(C)s1 731305871 HKTWIUUAGNZZDS-AOMKIAJQSA-N 479.627 5.792 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)cc1C 731311042 VIRAAUBZDWUEIY-JPYJTQIMSA-N 474.586 5.126 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cccs2)c1 743514612 QAIZYMPJORBJDZ-NRFANRHFSA-N 467.591 5.034 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747601161 DIXGBHAITWQMHU-GOSISDBHSA-N 474.970 5.096 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2)n1 748036090 KDUKVOGKJZERJI-OAQYLSRUSA-N 495.004 5.213 30 20 JKED CCOc1cc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)cc(Br)c1OC(F)F 750905004 KVVLOKSTYOSPRK-WDZFZDKYSA-N 471.250 5.261 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837470274 HRKJTWSHLAOSKQ-UZUQRXQVSA-N 494.567 5.698 30 20 JKED CCOc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1 861416270 NZSWFSWUOJRJJR-RGEXLXHISA-N 461.489 5.291 30 20 JKED COc1ccc(-c2nc(Cc3noc(-c4cccc(COc5ccc(C#N)cc5)c4)n3)co2)cc1 904331045 DCPVUWCSXDNUIW-UHFFFAOYSA-N 464.481 5.442 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2ccc(-c3csc(C)n3)cc2)C1=O 914548305 FBXROGXAOSROQO-OAQYLSRUSA-N 499.061 5.082 30 20 JKED N#C[C@@H](C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1nnc2n1CCCCC2 915101171 QIHSPXLKYHIWOL-SFHVURJKSA-N 459.600 5.397 30 20 JKED C[C@H](OC(=O)c1csc(Cc2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 915453528 CZLCFODGGGBIPJ-HNNXBMFYSA-N 465.600 5.120 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 916063018 YQANKWBMCMAGLM-UHFFFAOYSA-N 477.907 5.932 30 20 JKED COc1cccc(NC(=O)/C(=C\c2ccc(O)c(Br)c2)C(=O)c2ccccc2)c1 916156293 RLWYZHLTWNAEEW-UNOMPAQXSA-N 452.304 5.068 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 916205786 LPHNZWDQCJVYHG-FQEVSTJZSA-N 477.989 5.174 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(F)cc1 916209296 IYKACUURXVFNEW-SFHVURJKSA-N 478.387 5.349 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cs1 916246407 UMOFSCLMROXBDT-UHFFFAOYSA-N 494.411 5.109 30 20 JKED COc1cc(C=Nn2c(S)nnc2C(C)(C)C)cc(Br)c1OCc1ccccc1 916308898 YIGDPPCEEUYMIX-UHFFFAOYSA-N 475.412 5.097 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2-c2ccccc2C)c1 916342022 RZIKCKPCZBZHAL-UHFFFAOYSA-N 496.596 5.294 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2Cl)cc1 916449772 LSMAWYQBWPSHJF-UHFFFAOYSA-N 484.987 6.099 30 20 JKED N#Cc1c(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)sc2c1CCCC2 916828582 KZFGXXDMAPIVQN-UHFFFAOYSA-N 489.981 5.344 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccccc1Oc1ccccc1 916905376 OHARSFJIBZVLLE-FQEVSTJZSA-N 487.968 6.146 30 20 JKED COc1cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1c(C)noc1C 916936225 DSFXXZWGWMEPMK-PYJQOMOHSA-N 497.910 5.032 30 20 JKED CC(C)(C)c1noc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916997178 SXXFKVOZDMSRPF-CQSZACIVSA-N 463.390 5.997 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc2ccccc2n1C(F)F 917039825 DOZKOPGTIRLVBV-OAHLLOKOSA-N 487.329 5.736 30 20 JKED Cc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(Br)c1 917043732 NDILJZZGUGGSMK-WCQYABFASA-N 483.309 6.030 30 20 JKED C#CCN(Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S)[C@H]1CCc2ccccc21 917456902 NHSWDUNYIZYXLP-VWLOTQADSA-N 451.599 5.105 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 917691555 HGUASDHUMTVKHE-ULJHMMPZSA-N 482.414 5.273 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C)s3)C2=O)c1 917705237 XQZOUKUOMVWZQP-QFIPXVFZSA-N 490.610 5.097 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(CC(F)(F)F)C2=O)c1 917715240 WIVLBEDBSZPEPG-LJQANCHMSA-N 479.524 5.341 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1 917801691 NCVYZGRSONLYJK-XHPQRKPJSA-N 485.553 5.144 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1csc(COc2ccc(Cl)cc2)n1 918709385 HJQZREQDEQQSRD-UHFFFAOYSA-N 492.900 5.067 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nccn3-c3cccc(C)c3C)n2)cc1 920143956 VKJANHGNPJPVNN-FQEVSTJZSA-N 474.611 5.590 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920807015 VQQFMWZLVLAFST-MLGOLLRUSA-N 457.527 5.404 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC1CCC1 920926997 CFVZATJXMZKQGE-HXUWFJFHSA-N 491.535 5.474 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(Br)s2)c([N+](=O)[O-])cc1OCC(F)(F)F 921260941 IQMKMRRTESWUHO-IHWYPQMZSA-N 466.231 5.265 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC(F)(F)C4)cc3)CCC2)c1Cl 1785802517 ICEMCEHGFJBQCR-OAHLLOKOSA-N 457.908 5.395 30 20 JKED COc1cc(F)ccc1CC(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786040897 IBLWDPXJBWFMCA-UHFFFAOYSA-N 485.559 5.015 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1786373928 SLVNUAQMLAXJDI-KRWDZBQOSA-N 463.965 5.227 30 20 JKED O=C(CCc1cnccc1C(F)(F)F)NC1(c2ccc(NC(=O)C(F)(F)C(F)F)cc2)CCC1 1786602138 LEARSZIHIXOPSW-UHFFFAOYSA-N 491.407 5.068 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ccccc45)cc3)CCC2)c1 1788244625 VYNUPYBWJRFNQQ-UHFFFAOYSA-N 492.579 5.429 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)/C=N/O[C@H]4CCCCO4)CCC3)cc2)oc2ccccc12 1788969437 WGQCCZNSCOFYHE-QQNPRBCQSA-N 475.545 5.018 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc4nccn4c3)cc2)CCC1)c1ccccc1 1789081472 KFEGXHXHEXLHTR-SANMLTNESA-N 476.580 5.279 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccn4ccnc4c3)cc2)CCC1)c1ccccc1 1789305521 SLUCJBNMJKZDFT-AREMUKBSSA-N 476.580 5.279 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnccn4)c3)cc2)CCC1 1790078003 NIVUWKGTCHRDTH-RUZDIDTESA-N 466.585 5.660 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(F)cn34)cc2)CCC1)c1ccccc1 1790959309 MIKHLNKUNVKLOA-RUZDIDTESA-N 494.570 5.418 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1791194313 MKIQKLDPYUATFA-MRXNPFEDSA-N 478.486 5.112 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC45CCN(C(=O)OC(C)(C)C)CC5)cc3)CCC2)C1 1791398791 SMFGDYWSGUYPGJ-QHCPKHFHSA-N 493.648 5.124 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CC3CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204895 KZBKKYBUAAPOKM-QFIPXVFZSA-N 469.626 5.170 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 1796965249 XLXADOCCGWGHFS-ACDBMABISA-N 477.923 5.176 30 20 JKED CC(C)(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800740554 WQXFWFNLCNYVHC-NUNAXRQHSA-N 483.534 5.098 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1803082736 XGTUSIBVORERBI-VPHKFGTKSA-N 466.025 5.313 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(F)F)cc2Cl)C3)c1 1803681417 PQCHDWATHIBXCK-FZDIXFNVSA-N 487.934 5.134 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3F)C2)CC1)c1ccc(O)cc1 1805071678 VHQKCQRXAALUKZ-OAQYLSRUSA-N 497.010 5.227 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1807881597 QHDVDDMGCFQVLH-NBGIEHNGSA-N 494.517 5.058 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c1 1808544229 RJYPMQOLFAXWBS-CZKBBTNMSA-N 470.617 5.165 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1810178953 VEANCRWPWSKIKU-OASJLCFRSA-N 491.607 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1 1810274012 ZPRGNIJHRIHVJR-RPLLCQBOSA-N 487.676 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1810503646 UJWQVJZSHVEVQL-JYFHCDHNSA-N 493.623 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccc(Cl)cc4nn3)C2)CC1 1810700028 QZYAVHGCKDKVKH-UHFFFAOYSA-N 469.029 5.120 30 20 JKED N#CC1(C(=O)N2CCC3(CCCN(C(=O)c4cc(Br)c5ccccc5c4)C3)CC2)CCC1 1810761811 QTCMWOCSQQIJAW-UHFFFAOYSA-N 494.433 5.141 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3occc3n2-c2ccccc2)[C@H]1c1cccnc1 1811277332 ORORAARJPKOEQM-DVBNTOJCSA-N 482.584 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCSCc2ccc(C)cc2)[C@@H]1c1cccnc1 1812953603 LJMCJGSUZGKUEC-VPUSJEBWSA-N 493.717 5.712 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814379310 OOASPJLRBVZBOA-VWLOTQADSA-N 485.588 5.009 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)[nH]n1 1815207668 GWHMESMMYGQZPB-QHCPKHFHSA-N 499.055 5.550 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1815214384 AHMXNMKUVFLRQF-UTKZUKDTSA-N 487.560 5.048 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4scnc4c3)sc2C1 1819241128 XJGMWJHUVHHVIG-KRWDZBQOSA-N 496.734 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(OCC(C)C)c2)[nH]n1 1819554413 YDWQHAZURBPVCK-OAQYLSRUSA-N 467.614 5.138 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)C)nn2CC)n[nH]1 1820351349 DWJCGXVTFYWQRF-FQEVSTJZSA-N 454.619 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821147760 MPKAXIMJJUESBD-GMAHTHKFSA-N 464.610 5.661 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)[nH]n2)c1 1821271225 SYEWQJFKQUQOMV-QFIPXVFZSA-N 490.926 5.175 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)n[nH]2)C1 1821363550 CPZBHUGRUVQRPH-XMMPIXPASA-N 476.527 5.627 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1)C(F)(F)F 1821991745 CZTVOFMWXBWXMT-FQEVSTJZSA-N 483.494 5.205 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCCC(=O)OCc2ccccc2)n[nH]1 1822253672 LHXOJCDKPYARJX-XMMPIXPASA-N 494.636 5.452 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823210294 BUXAYJGOMCWNMB-IUGKGNRASA-N 497.599 5.155 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c1 1823216011 MZNHKQYXJPDBAA-CJAUYULYSA-N 467.573 5.534 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823311595 GKVJWOMQNNXNGE-MRXNPFEDSA-N 497.846 5.051 30 20 JKED Cc1ccc(-c2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5ccc(CC#N)cc5)sc4C3)c[nH]2)cc1 1823488999 FQHJZEZWSXORDB-QFIPXVFZSA-N 495.608 5.052 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)CC2)C1 1823704488 IJPNHIANOMLAAP-QHCPKHFHSA-N 474.567 5.323 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCC2)CC1 1823847272 DZMKYYZOHIIFJF-PKTZIBPZSA-N 489.701 5.046 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1824051933 YOJLCXNBRWKCQI-AREMUKBSSA-N 496.026 5.146 30 20 JKED O=C(Cc1c[nH]c2ccccc12)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824057740 UXXZPFCAFPEIGD-HHHXNRCGSA-N 488.031 5.035 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(Cl)cc2Cl)CC1 1824137924 SAEIVUYTXNGNMP-OAQYLSRUSA-N 464.437 5.390 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1824143344 KUHCUCZBODZEOR-DEOSSOPVSA-N 487.648 5.008 30 20 JKED C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1 1824421037 COCBFHRZIZUZAJ-INIZCTEOSA-N 457.555 5.072 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1824538333 OYGLUTMYPSVAKI-FCHUYYIVSA-N 462.059 5.009 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)cn2)CC1)c1ccccc1 1825212955 PMFGQXOFLIFVAO-VMPREFPWSA-N 485.672 5.140 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826512051 YWBJDTFVRFSUSA-AVRDEDQJSA-N 450.545 5.080 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1828827225 JYKHWGHIADHWNK-ZEQRLZLVSA-N 487.566 5.579 30 20 JKED Cc1cccc2c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)n[nH]c12 1828907161 WIHZJQFYZTUDMO-DEOSSOPVSA-N 492.740 5.156 30 20 JKED COc1cc(C)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828908991 XPZAZSGWVVNBJJ-VWLOTQADSA-N 482.741 5.288 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CS[C@@H]2CCCCO2)CC1)c1ccccc1 1828959358 BZYVSPTZTOSQBV-UNCTUWKVSA-N 496.717 5.063 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cscc2OC)CC1)c1ccccc1 1829033265 TYFFTKWWKDFKOC-NOZRDPDXSA-N 478.658 5.187 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1829647253 GDHIMTRIGSJRET-CJFMBICVSA-N 467.654 5.179 30 20 JKED Cc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1829946727 IDYQXSRUBNGSCO-SANMLTNESA-N 473.617 5.201 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830534700 ZFCLEGBSRFTIIF-IIBYNOLFSA-N 454.508 5.290 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c(F)c1 1830632424 LKSYMABKZZVVJB-MHZLTWQESA-N 491.607 5.226 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(F)cc1 1830633713 QWXRQSCZJUKFIW-NSOVKSMOSA-N 489.635 5.565 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1830684132 SDRNOQCLVFUAEH-HHHXNRCGSA-N 482.628 5.267 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060748 SAVVBHLHLXWSMH-VGSWGCGISA-N 450.604 5.138 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1831373910 IZPFKKUDTIHCJW-UWJYYQICSA-N 484.534 5.212 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831718576 KELDEPWTGSWCBP-LDLZHSJESA-N 487.482 5.385 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl 1831787278 FMGNPHAHFMVHSG-DSITVLBTSA-N 476.020 5.249 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1831842605 PKGLRKJSKVIOKI-WBMJQRKESA-N 480.955 5.050 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1831852521 QDNBSQOPQCQXGP-DEOSSOPVSA-N 481.637 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1832634126 HXIHDWLZBWPRGU-NLFFAJNJSA-N 474.649 5.486 30 20 JKED CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CCC1 1832703843 VTTJVNMBYCXUHI-XMMPIXPASA-N 465.638 5.159 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)CCC1 1832785471 ZWPIYWZIVVHTAW-DEOSSOPVSA-N 484.600 5.355 30 20 JKED O=C(C#CC1CC1)N1CCC(OC2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)CC1 1836746885 MGRKYRWHBIHHDS-UHFFFAOYSA-N 497.079 5.026 30 20 JKED C#CCCCCC(=O)N1CC2(CCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)C1 1845048630 FFBNTATZWKEHTK-UHFFFAOYSA-N 489.635 5.435 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 10352570 ICWLFAQMWOOLLB-SANMLTNESA-N 466.610 6.030 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 11083330 CYIGHOQMWNGSOR-UHFFFAOYSA-O 483.632 6.626 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2ccc(C(CC)CC)cc2)c1 14872245 HNIONXSMKVJGHY-UHFFFAOYSA-O 489.661 6.262 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc3c(c2)CCCC3)cc1 14872565 VKCBJWQCPUAODR-UHFFFAOYSA-O 499.578 6.365 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccoc1C 18328347 QQBGWNGDBARLBO-CYBMUJFWSA-N 465.560 5.444 30 20 JKED C[C@H](Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 18438072 PEURJZMROBAKMN-ROUUACIJSA-N 495.052 5.459 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccc(Cl)cc1 18972589 MURMCFMDOMWMTJ-OAHLLOKOSA-N 452.967 5.500 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)n1 21515180 UVRUTEVTNQARKZ-UHFFFAOYSA-N 457.437 5.586 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccccc2CC)c1C 22729843 VSJUWMBUVCHPTQ-UHFFFAOYSA-O 478.638 5.326 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc3c(c2)CCCC3)cc1C 28649155 DMXYSJPEPMTEQP-UHFFFAOYSA-O 473.618 5.292 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)n2)cc1 32290947 HWDUHQCZFLDWCN-UHFFFAOYSA-N 468.513 5.157 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccc(OC)cc1 32326477 BVJHEZUDVDSUJP-HXUWFJFHSA-N 456.999 5.549 30 20 JKED C=C(C)CN1C(=O)/C(=C/c2csc(N(C(C)=O)c3cccc(Cl)c3)n2)SC1=S 98002434 LWMFMSWUBFFKNO-PXNMLYILSA-N 450.010 5.258 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ncc(-c2ccccc2F)o1 303236335 ZNPRHKBWYYYPFF-UHFFFAOYSA-N 455.489 5.811 30 20 JKED COc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1OCc1ccccc1Cl 478958181 ULZPWDJCTUKYLR-UHFFFAOYSA-N 475.976 5.152 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)CSc1ccc(C#N)cc1 483404519 CYYGIMKTWZGJKX-UHFFFAOYSA-N 469.488 5.869 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C(C)C)s1 499160116 XHZKNZYBQYKTTH-UHFFFAOYSA-N 475.614 5.782 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nnc(-c2ccccc2)o1 499297330 XPURWPDWQLHXAO-HNNXBMFYSA-N 453.955 5.600 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1cccs1 499301526 PUWXTXWEWWQEDW-MCNSAMFCSA-N 477.659 5.801 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 500747966 SNSWEOHIKBSYSX-UHFFFAOYSA-N 453.498 6.095 30 20 JKED COc1cccc(Cc2nnc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)s2)c1 500984240 MWVHQOAPNFMJLI-UHFFFAOYSA-N 472.595 5.554 30 20 JKED Cc1ccc(C)c(OC2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)c1 501747910 IZGQMUURQRNIRX-UHFFFAOYSA-N 456.590 5.381 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)cc1 508162971 XGIBBQYLFPSPBA-UHFFFAOYSA-N 480.568 5.288 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1 512540160 KQHZUNFEPUJYFK-UHFFFAOYSA-N 461.481 5.321 30 20 JKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 515696892 HVAQITHWEHDEBC-FQEVSTJZSA-N 453.542 5.404 30 20 JKED CSc1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c2ccccn12 516317690 KQJKYEMVFVDJLK-UHFFFAOYSA-N 473.505 5.246 30 20 JKED C[C@@H]1CN(c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cn2)C[C@@H](C)O1 516461405 YYOZLUWEQIRQLB-JFIYKMOQSA-N 452.624 5.032 30 20 JKED Cc1cc2nc(C)c(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c(C)n2n1 517461798 PANWFKRFABQUEK-UHFFFAOYSA-N 461.513 5.250 30 20 JKED Cc1cccc(S(=O)(=O)N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)c1 519428597 XKDNAVXVGBLZGL-FQEVSTJZSA-N 479.627 5.223 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 519432811 AVBRFYIUUQKTTE-STQMWFEESA-N 453.789 5.760 30 20 JKED COc1ccc(-c2csc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)n2)cc1Cl 520912378 ATRRSJKIQYSGJQ-UHFFFAOYSA-N 468.966 5.138 30 20 JKED C=CCn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1[C@H]1COc2ccccc2O1 521535910 UVRZQEMMHGSBOO-XMMPIXPASA-N 472.570 5.243 30 20 JKED N#C[C@@H](C(=O)c1cnnn1-c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 591862678 YJIDOHZKXZHXSH-ZDUSSCGKSA-N 474.760 5.841 30 20 JKED Cc1sc2nc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n(C(C)C)c(=O)c2c1C 597521242 AFZAGTNNTZJMCK-CYBMUJFWSA-N 472.661 5.197 30 20 JKED CC(C)c1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cnn1-c1ccc(F)cc1 603514505 UZGYZRWWEKRYSG-UHFFFAOYSA-N 478.578 5.403 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc(-c3ccco3)nc21 603623067 DCHAYORBCFZPAF-UHFFFAOYSA-N 464.485 5.583 30 20 JKED Cc1nc(-c2ccc(CNC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)s2)cs1 603831489 RFYJCANJVSBPHW-UHFFFAOYSA-N 473.583 5.626 30 20 JKED Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2)n1 604089578 FRDUMKOBGGSVIO-LJQANCHMSA-N 489.963 5.590 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ncnc5sccc45)CC3)cc2Cl)cc1 604090420 YILPZWJBUQMZMH-UHFFFAOYSA-N 490.976 5.363 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1OCCO 604104483 SUFQIGNZHGGOOV-INIZCTEOSA-N 481.936 5.266 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 604147279 VAGRFYUXXUBFAU-JOCHJYFZSA-N 460.509 5.035 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2C#N)C1 604276961 ZKIXZAMINXOVFL-JHJVBQTASA-N 467.479 5.136 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c2ccccc2)cc1 604419883 GSPCDFMKJKVXOH-NDEPHWFRSA-N 491.547 5.512 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](C)c1cc2ccccc2o1 604422786 PDSGSMFCKQVATA-SFHVURJKSA-N 468.513 5.430 30 20 JKED CCCC(=O)Nc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 604441477 DVNYDWFZHMYKKO-UHFFFAOYSA-N 472.570 5.280 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604502420 DAQPIZNNIQCKKL-UHFFFAOYSA-N 460.921 5.556 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4ccccn4)n3)cc2Cl)c1 609062827 HJRPQGJXQXCADH-UHFFFAOYSA-N 460.946 5.490 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1 609068429 RTDMNUXRANMXPY-UHFFFAOYSA-N 495.486 5.277 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)n2)cc1 609151635 JGHYGCBATPMJNR-UHFFFAOYSA-N 486.959 5.826 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 609377991 NIGWRRFIRFAMHW-HOTGVXAUSA-N 472.035 6.507 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(Br)c1OC 609434720 LIFDYCBVHXTFCS-ZDUSSCGKSA-N 464.385 5.182 30 20 JKED O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cnn(-c2ncccc2Cl)c1C(F)F 622601192 SSOJELMRUBDGGO-UHFFFAOYSA-N 466.744 5.085 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccc(Cl)cc1 641972689 LBMRVTLJICHHBX-UHFFFAOYSA-N 469.998 5.110 30 20 JKED C=CCn1c(SCc2nc(O)c3c(-c4ccccc4Cl)csc3n2)nnc1-c1ccncc1 645072815 RZGFZPWGKCVETB-UHFFFAOYSA-N 493.017 5.849 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Br)cc2)n1C 726318879 SGIDTETZBNJNCA-SFHVURJKSA-N 460.331 5.450 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CC[C@H](C)OC 726394600 WCIVFOMGJDGGCN-YCRPNKLZSA-N 490.025 5.042 30 20 JKED COc1ccc(OC)c(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccc(C)cc2)c1 726567746 IHHFXJPETKYVQN-UHFFFAOYSA-O 492.621 5.029 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1Cl 726891669 PMYZEIZWFFXDEY-AOMKIAJQSA-N 495.004 5.465 30 20 JKED CCCCCCC[C@@H](C)CNC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 727475415 JSJZUXGZCJCDGA-RTBURBONSA-N 457.615 5.007 30 20 JKED Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)cs1 727561117 GPNXYCODOCIYQD-UHFFFAOYSA-N 488.544 5.332 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ncccc3C)C2=O)cc1 729635034 ZKKBZSUISGBISP-XMMPIXPASA-N 488.613 5.339 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 729887869 DNLLPCFPAKPKSU-UQBPGWFLSA-N 453.542 5.438 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 730444886 QNESEULBOBODBR-NRFANRHFSA-N 482.993 5.148 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(SC(F)F)cc1 730487917 CXMCWBJKHBUEMN-MJGOQNOKSA-N 491.585 5.141 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)ccc1OC(F)F 730585535 XEJGPKJWSUUAFZ-UHFFFAOYSA-N 489.331 5.335 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730943745 KEJAANARGUVYLM-FDDCHVKYSA-N 458.587 5.366 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 731064831 YJVWPUHYNCPRNM-KRWDZBQOSA-N 487.606 6.011 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 731305677 GBPJKAIPYRWMJH-FDDCHVKYSA-N 474.586 5.126 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c1 731305834 GVMWTBIMYYJWLG-JPYJTQIMSA-N 474.586 5.126 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 731400881 WUKMNZUHMVOEPB-LJQANCHMSA-N 459.571 5.760 30 20 JKED N#CCCN(C(=O)COC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1cccc(Cl)c1 744605314 SEMJIMYNMUUVAT-UHFFFAOYSA-N 494.787 5.874 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(CCOC(C)(C)C)C1=O 746695455 GOLKEQHHGDQCCN-JOCHJYFZSA-N 483.634 5.087 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 746697428 FMCLDLCNLYJXNM-LJQANCHMSA-N 495.979 5.394 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(CCc3nccs3)C2=O)cc1 747600794 QYVORYLMBLKXPZ-OAQYLSRUSA-N 494.642 5.053 30 20 JKED O=C(/C=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccc(N2CCOC2=O)cc1 748584645 SZONJTZIGRTJQV-IZHJOOQXSA-N 459.342 5.411 30 20 JKED CCOc1c(OC)cc(/C=C\C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC 750894571 WVHOWAMPEGKOJV-NVNXTCNLSA-N 481.570 5.108 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(CC(F)(F)F)C1=O 799215002 HDVFPOOPUSMMAK-FQEVSTJZSA-N 493.551 5.615 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 837344422 CPYGKUNRPGXBHW-WZONZLPQSA-N 474.586 5.120 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 838546231 GTPJUALIDKLIQB-FQEVSTJZSA-N 495.979 5.314 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)CC(C)C)ccc1Cl 914500569 BQLVJQKWTIVKEG-UHFFFAOYSA-N 455.407 5.103 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2sccc2C)C1=O 914547713 ZKXFKTRSOUUGLG-NRFANRHFSA-N 479.627 5.534 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 914548326 FOCAQSPSRYCYOI-IBGZPJMESA-N 453.564 5.356 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1 915022731 CFAWUTNWMYPPFF-UHFFFAOYSA-N 452.554 5.140 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)N1CCCC1 915352851 OAYQZKSHBQQYMC-UIOOFZCWSA-N 454.574 5.309 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc1 915598585 VAFQRCZRCHLDIN-QFIPXVFZSA-N 470.529 5.371 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)cc1OC 916204302 BTDUCHJZBBPOLD-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)cc1 916214204 KTPNERYWIINRMD-XMMPIXPASA-N 491.613 5.235 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916217736 WDDVVMISAOUABN-OAQYLSRUSA-N 494.960 5.524 30 20 JKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916653046 HTIYZMCHLMPYGU-CQSZACIVSA-N 476.385 5.618 30 20 JKED CC(=O)C1=C(c2ccc(Br)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1csnn1 916726485 VNRBECDAZTUYBK-IBGZPJMESA-N 487.354 5.019 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 916904354 AYAZXDSBHGTJDA-QFIPXVFZSA-N 464.477 5.903 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 916905327 NIJBSSGOBDWGNZ-SFHVURJKSA-N 457.467 5.563 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nncn3-c3cccc(Cl)c3)n2)cc1 916973531 ZTDHFGUESGHPNX-SFHVURJKSA-N 465.991 5.321 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 917043750 NLCRHNBKEAJTEN-UKRRQHHQSA-N 463.506 5.248 30 20 JKED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(Oc2ccccc2)c(F)c1 917144876 QDEHUNKUZAVLJO-XZVRFQMRSA-N 474.941 5.032 30 20 JKED COc1cccc(-c2nc(COC(=O)c3ccc(COc4ccccc4C#N)o3)cs2)c1OC 917327256 FLRPRSZKGYHMCE-UHFFFAOYSA-N 476.510 5.228 30 20 JKED N#C[C@H](C(=O)Cc1ccc(F)c(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 917430400 JXKOVUHKMQJPPE-LLVKDONJSA-N 457.246 5.636 30 20 JKED CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918052409 ITBXCEXGEQAXFK-UHFFFAOYSA-N 476.964 5.504 30 20 JKED CC(C)Sc1ccccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918163237 LNZPLOQZRRIKOP-YYDJUVGSSA-N 459.637 5.032 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccc(Cn2cncn2)cc1 918556338 OPJOQERQAZEGCM-XMMPIXPASA-N 498.568 5.161 30 20 JKED N#CCCn1cc(C(=O)COC(=O)C2(c3ccc(Br)cc3)CCC2)c2ccccc21 919250798 ZMBAAMWZLIXHNF-UHFFFAOYSA-N 465.347 5.165 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 920111297 LKAPQZCURYJBKY-DFBJGRDBSA-N 493.563 6.089 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 920871271 WIZYPQAGVAGWPJ-JPYJTQIMSA-N 461.587 5.083 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1C 920893166 TYUXLTDTTUDJEQ-SFHVURJKSA-N 464.953 5.226 30 20 JKED CN(C(=O)COC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C1(C#N)CCCCC1 920912445 KBPJBDGVURNYGV-UHFFFAOYSA-N 462.333 5.022 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4nc(-c5cccc(Cl)c5)no4)CCC3)cc2)C1 1785806736 COHTWLFNXGKMNC-UHFFFAOYSA-N 490.991 5.423 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCCN(C(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785808679 AYWRHTSAZHKASQ-FQEVSTJZSA-N 481.637 5.124 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccc(F)cc4)cc3)CCC2)cc1 1786032750 ZYJVDXWJAKFMFY-FTJBHMTQSA-N 467.544 5.443 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4C4CC4)cc3)CCC2)cc1C#N 1786060573 VPDPFQDUSUXDNS-DNQXCXABSA-N 457.574 5.139 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)cn4)CCC3)cc2)c(O)n1 1787173201 RBMCXZDVSPSNQX-UHFFFAOYSA-N 476.964 5.016 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(OC)c3)cc2)CCC1 1788359194 ZFIASHAJCXBJRI-HXUWFJFHSA-N 485.584 5.096 30 20 JKED Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1788685468 JOFNMEASXAASTJ-UHFFFAOYSA-N 493.592 5.447 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1 1790187807 AUGZFISODDGZTE-QGZVFWFLSA-N 467.566 5.587 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)c(F)c1 1790290286 QSPGDYOQIHNDDU-UHFFFAOYSA-N 471.532 5.086 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCCC4(F)F)CCC3)cc2)ccc1F 1790520223 JJAWZOIRBNISSA-VWLOTQADSA-N 487.497 5.292 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cn4ccc5c(F)cccc54)CCC3)cc2)cc1 1790705088 IJOAVLWOLMQYTN-UHFFFAOYSA-N 480.543 5.294 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c[nH]nc5c4)CCC3)cc2)c(Cl)c1 1790767281 UHDMRKCXHCQDMO-UHFFFAOYSA-N 469.932 5.149 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)F)c4)CCC3)cc2)c1 1790796778 IIWJCNDMDBNKBM-UHFFFAOYSA-N 460.484 5.261 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791252356 OYINGGZTGAKXOB-SXWKCWPCSA-N 483.653 5.416 30 20 JKED CC(C)N1CCC[C@H]1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1792018577 OJVRQVDDARIAQM-QHCPKHFHSA-N 498.549 5.198 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1 1792125396 YKOQHFDBZXVEHS-IBGZPJMESA-N 453.542 5.384 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CC3(F)F)cc2)CCC1)c1ccc(O)cc1 1792247331 AARWZEJHEOHYKA-KBMIEXCESA-N 466.528 5.069 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)oc1C)c1ccc(O)cc1 1795131082 LCDVKMXPNQRMNV-BXXSPATCSA-N 476.617 5.040 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)ccc1Br 1797875924 VPSUFIFWVCQPQF-HFJIGHFISA-N 498.465 5.179 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccc(Br)cc2n1 1798191853 OKGQWOFFXOWEED-ACDBMABISA-N 484.438 5.242 30 20 JKED Cc1cc(Br)sc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2 1799430680 NRSTZPIJPGVXJP-FZDIXFNVSA-N 486.435 5.012 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1803091162 XTTZCQQTXNYDBP-ZJSXRUAMSA-N 451.998 5.131 30 20 JKED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1803563212 JAZVILMSURVMFK-VPFBHQOVSA-N 489.660 5.125 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1804175605 GVTYBIOVUPDKHF-GPUOULLFSA-N 486.081 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C)oc3C(F)(F)F)CC2)C1 1805450338 FYOQPCCPDZTHAM-UHFFFAOYSA-N 452.517 5.220 30 20 JKED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1809295210 KBKLDMMEHJOCKE-UHFFFAOYSA-N 476.576 5.483 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1810493377 ZHZBWSTZXAGTOY-YKSBVNFPSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1810494280 CZLYVMHYCWGHBW-ZEQKJWHPSA-N 486.616 5.357 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1810494354 HICNNHLQAZBMHF-CUBQBAPOSA-N 496.655 5.764 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810726454 LYKCCNONBHEIAL-RCZVLFRGSA-N 491.538 5.405 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1811181969 PXWDDNFGWXECHL-IAPPQJPRSA-N 486.660 5.160 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811434599 RSBIWYCOLMUEML-BTCOZLQPSA-N 451.954 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3[nH]c(C)cc3c2)[C@H]1c1cccnc1 1812277293 KKNNLGINXGVTMN-WIOPSUGQSA-N 458.606 5.183 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)[nH]n2)cc1 1814379507 BRHHEOPMUJTIEN-AREMUKBSSA-N 494.599 5.020 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)n[nH]1 1814926300 UYJYRCOUYPLLHQ-GKAYAJSDSA-N 468.548 5.252 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)cc1Cl 1815247105 WKULNJOFPCBKPY-WIYYLYMNSA-N 479.046 5.111 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4[nH]3)n[nH]2)c1 1819192306 MWZZOLKNOQNOHV-VFNWGFHPSA-N 472.574 5.199 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 1819309202 OLPHJJGCSHKSSV-GGAORHGYSA-N 491.592 5.200 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(C(F)(F)F)coc1C)CC2 1819599721 KYCZFIHPWPXIMO-KBPBESRZSA-N 467.513 5.058 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1)c1ccc(O)cc1 1820901939 JYBIPYCCDDCMGR-ICUFOFBBSA-N 474.605 5.051 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821173020 DVXIPLOQHWSISQ-OYHNWAKOSA-N 494.642 5.065 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cc(Cl)ccc3Cl)n[nH]2)C1 1821789670 CCDGYFNGSRLNCA-FQEVSTJZSA-N 461.393 5.308 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1)C(F)(F)F 1821994232 BYDMFNDXTLGOTG-HNNXBMFYSA-N 479.261 5.280 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)CC1 1823669852 GWKYCOMIZYMRBX-WIYYLYMNSA-N 464.437 5.390 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1823703008 JWWLTGUEIQWXEZ-LOSJGSFVSA-N 457.058 5.666 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(F)c(OC)c2F)CC1 1823753711 YOPADJCWLQUHAL-HXUWFJFHSA-N 492.607 5.208 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2O)CC1 1824143284 KKSZUWLUYDZPGR-QHCPKHFHSA-N 450.579 5.140 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(O)c3cc2OC)CC1 1824143653 PRRXOHUVKCMGSV-AREMUKBSSA-N 490.644 5.556 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)CC2)c1 1824634409 VZGYROGKLLFONE-XMSQKQJNSA-N 459.581 5.228 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c1 1825853511 KBBYZXYPROSAKW-NRFANRHFSA-N 470.038 5.139 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3cccc(F)c3)CC2)c1 1827353224 MMOPGUNUMBSNAI-MHZLTWQESA-N 496.586 5.306 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827778348 IBFDNQHNDLLXIE-SFTDATJTSA-N 487.632 5.276 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1827855456 YDZRFOSKRVFDOC-OAQYLSRUSA-N 491.485 5.165 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2Cl)CC1 1828906530 RPYDNLHUHJMVTQ-QHCPKHFHSA-N 474.121 5.019 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1828906570 UVKFKCUPFFQQFF-XMMPIXPASA-N 495.765 5.581 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3cn2)CC1)c1ccccc1 1829035262 NZRCKXZXZUMHML-VPUSJEBWSA-N 483.612 5.258 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnc3[nH]ccc3c2)CC1 1829070909 NKMRLRPHAZLCSP-DEOSSOPVSA-N 464.654 5.108 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)cc1 1830633816 YXHRECXNCZSDIG-OCHSWLLGSA-N 481.640 5.108 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCC3)CC2)ccc1Br 1830685237 DIQKRCFWOSBGHB-HSZRJFAPSA-N 486.454 5.134 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)cc1C#N 1830992315 MNKFRUYQGJSWCA-SANMLTNESA-N 499.611 5.639 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Br)cc4)CCC3)CC2)C1 1831948087 WXYSHCXXQWPWPJ-DEOSSOPVSA-N 499.493 5.457 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)cc3F)CC2)c1 1832633589 KQEGJLVIJHILQQ-AFMDSPMNSA-N 479.571 5.068 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832689458 OEHODXVZJINQDN-XDHUDOTRSA-N 499.989 5.792 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)C3)c1 1846830686 VPBVXPFAOIJZNS-RBUKOAKNSA-N 483.534 5.039 30 20 JKED Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 10167497 SYZYSYLSXXKJAC-UHFFFAOYSA-O 479.669 7.048 30 20 JKED Cc1ccc(-c2nc(C(=O)OCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)cs2)cc1 11017471 OAGQJWBOYPRQBR-UHFFFAOYSA-N 453.951 5.184 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(C)c2)c1C 11126973 QOCCYJYDDDCEDI-UHFFFAOYSA-O 472.590 5.218 30 20 JKED N#Cc1ccc(F)c(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)c1 11511834 UOGVLIDFZALXFC-UHFFFAOYSA-N 469.339 5.652 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(Cl)cc2Cl)c1 15617780 LXGOPHCWMSQETA-UHFFFAOYSA-N 470.381 5.526 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(OCC#N)c(OC)c1)C(=O)c1ccccc1 18064917 BRMFTLKEMSMRFX-HKOYGPOVSA-N 468.553 5.627 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)nnc1-c1cccc(C)c1 18972713 FWKQKWPVMGNSAI-UHFFFAOYSA-N 497.624 5.100 30 20 JKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 23352019 ISXYMDIKANLZJR-OAHLLOKOSA-N 474.417 5.317 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCc3sccc3C2)nc2sc(-c3ccccc3)cc2c1=O 23405497 NTLFTLXHOFAVHD-INIZCTEOSA-N 493.679 5.438 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)N(CC#N)c3ccccc3)n2Cc2ccco2)cc1 23427367 HYZHSASBNYUAPX-UHFFFAOYSA-N 485.613 5.533 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 25664333 IXZXWLWRDOCGAB-CQSZACIVSA-N 465.497 5.025 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)n1 26224178 NGZXBKVAXLPMJS-FQEVSTJZSA-N 490.972 5.050 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(OC)c2)cc1 28793375 OCNLAQNKDMMJCZ-UHFFFAOYSA-O 492.665 6.085 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)nnc1C1CC1 36800356 YVYGRMJSKMSKFD-UHFFFAOYSA-N 466.419 5.503 30 20 JKED COc1ccc(-c2nc(S[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)nc(O)c2C#N)cc1 71822019 AZSVIBCVYFLNQD-SANMLTNESA-N 492.560 5.927 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4SCCC#N)c(=O)c23)cc1 78668388 UTKAHKGGGHGMAY-UHFFFAOYSA-N 474.611 5.468 30 20 JKED CSCc1nc2ccccc2n1CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 108737754 XRCHUHQGCULGSM-UHFFFAOYSA-N 458.562 5.139 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)nnc1-c1ccccc1F 195569304 ASZDOMCPWWTVLU-UHFFFAOYSA-N 487.560 5.253 30 20 JKED C=CCN(C(=O)c1ccc(CNC(C)=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 247962861 WDTVLWUSFKHSDC-UHFFFAOYSA-N 460.386 5.586 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1cccs1 251530967 KENUBIVEZUWHAD-JKQORVJESA-N 469.661 5.668 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1 409656499 IWBKRNVGFUNEJA-IBGZPJMESA-N 460.603 5.815 30 20 JKED Cc1nc(NC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)sc1SCC#N 409818861 KIPWXWFYIWOLKY-QGZVFWFLSA-N 492.395 5.728 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1 409987328 QPAVNJSLWFRYFS-SFHVURJKSA-N 455.489 6.037 30 20 JKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)o1 480895830 LUYXWVFHOZYOOD-GAJHUEQPSA-N 487.531 5.122 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCc1nnc(-c2ccccc2)o1 483371551 HDZJJYPSCHHHHE-UHFFFAOYSA-N 454.505 5.612 30 20 JKED O=S(=O)(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(C(F)(F)F)ccc1F 485122483 OXTJNQBMLZQJPG-UHFFFAOYSA-N 463.346 5.062 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3occc32)c1 493307078 VFZPMZVGLWWLHM-OAQYLSRUSA-N 470.978 5.122 30 20 JKED O=C(C[S@](=O)Cc1coc(-c2ccc(F)cc2)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 495828438 CYKLVLXIOHCRRU-MGBGTMOVSA-N 494.388 5.406 30 20 JKED Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 503631809 ZNNHGMLBUODJIV-HSZRJFAPSA-N 459.977 5.336 30 20 JKED C=CCn1c(SCc2nc(O)c3c(-c4ccc(C)s4)csc3n2)nnc1-c1cccnc1 503711097 FESTWUDSGVHVDT-UHFFFAOYSA-N 478.628 5.566 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccccc1Cl 504341476 RTYQLXIUOFNXBS-IBGZPJMESA-N 462.340 5.790 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCc3cccc(F)c32)c1 505293812 MZFTVVTXKRATNU-UHFFFAOYSA-N 484.980 5.453 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 510024398 SAFXIDOMNGLRLP-ISKFKSNPSA-N 475.976 6.382 30 20 JKED CCCCCNC(=O)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510045000 NFFFAZANWHWMAT-QHCPKHFHSA-N 467.013 5.546 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC(F)F 510046870 ZMKGWVXYLQKDCV-FQEVSTJZSA-N 485.918 6.269 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC 510253381 JFLODJIOTPEDKQ-GOSISDBHSA-N 481.603 5.088 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cs2)cc1 512493721 JXDRPUAYXHVOBW-IBGZPJMESA-N 461.568 5.831 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)c1 518128097 RISBUKURQNYHTB-OAHLLOKOSA-N 455.634 5.715 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 518140913 IHJCOOPQKNRGDU-GOSISDBHSA-N 450.585 5.165 30 20 JKED N#Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCC(F)(F)F 518286001 QREDELHBIJPEFE-UHFFFAOYSA-N 479.358 5.157 30 20 JKED Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 518554128 OGEQRQVOXZBZBJ-WMZHIEFXSA-N 475.976 5.135 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 518673771 GAWIOYYDKXWAAX-QFIPXVFZSA-N 463.990 5.384 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1Cl 519508375 FGRFWACAVMYPTQ-XMMPIXPASA-N 479.024 5.688 30 20 JKED CCCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@@H](CC)c1ccccc1 520183445 ZJJNXFDCZDMBBZ-FQEVSTJZSA-N 451.621 6.097 30 20 JKED COc1ccccc1[C@H]1CCCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 524363924 ZLWYEYOEWBDPIG-GOSISDBHSA-N 451.577 5.080 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)CC1 603460809 QNZIWJIWTAVOSL-ZPHPHTNESA-N 477.593 5.012 30 20 JKED C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 603758709 BVODIJUPLOGRCY-UTKZUKDTSA-N 459.933 5.138 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cs2)cc1OC 603995545 KXVWVOUMXOXNJN-UHFFFAOYSA-N 498.564 5.132 30 20 JKED C[C@H](NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cc1 604006928 ANULTAIBWYHABZ-KRWDZBQOSA-N 464.363 5.189 30 20 JKED COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)C2)c1 608840622 BPMFXOXIFYJKIV-HXUWFJFHSA-N 472.545 5.016 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)n2)cc1 608931223 OTNUNHCXPFHBJX-PUHATCMVSA-N 456.571 5.094 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ncc(Cc4ccc(F)cc4F)s3)o2)cc1 609058719 MYTCUTGUVNKBPL-UHFFFAOYSA-N 451.454 5.308 30 20 JKED Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)oc2ccccc12 609088050 PTJMCQGNQIQFCF-KRWDZBQOSA-N 487.943 5.661 30 20 JKED Cc1csc(Sc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2)n1 609156712 JNOBBNWEYFPREU-UHFFFAOYSA-N 450.589 5.268 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cccnc3Oc3ccc(Br)cc3)CC2)c1 609185001 NNHYOXOZUBVCPZ-UHFFFAOYSA-N 478.346 5.192 30 20 JKED Cc1sc(NC(=O)CC2(CC(=O)Nc3sc(C)c(C)c3C#N)CCCC2)c(C#N)c1C 609227881 VGWJSTJNGBOGON-UHFFFAOYSA-N 454.621 5.704 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 609437893 WCRIAGKOWRLVMD-NZQKXSOJSA-N 457.599 5.510 30 20 JKED CN(Cc1ccccc1OC(F)(F)F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612804568 QPECNSSNSNMIGK-RYUDHWBXSA-N 466.344 5.636 30 20 JKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 622489410 DTPWRWLJYQZQKO-UHFFFAOYSA-N 483.355 5.092 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OCc1ccccc1 642281873 VWXJTHSKRSXMAJ-NRFANRHFSA-N 470.550 5.896 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642380201 DGIDTYOZOPTRDO-IVZWLZJFSA-N 480.218 5.381 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)nc2sccc2c1=O 645080321 UJIMHPDUWAWBPR-RYUDHWBXSA-N 470.645 5.332 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cscn1)c1cccs1 726418808 BEFSBOCXCOLHES-WYAUKPPCSA-N 491.063 5.448 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cc(C)ccc1OC 726571537 WYAGTTFOWWEWNS-UHFFFAOYSA-O 464.998 5.702 30 20 JKED CCNC(=O)COc1ccc(/C=C\C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1OC 727654587 NWTAOWPUQIGIOT-WZUFQYTHSA-N 470.978 5.192 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)NCCc2cccs2)[n+]2ccc(C(C)(C)C)cc2)C=C1 727813355 HQSHRKGMHIPKHU-UHFFFAOYSA-O 480.679 5.147 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 728166848 OICGBDDQNJJTLJ-UHFFFAOYSA-N 451.866 5.349 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cs1 728372797 UDSNKWAWGWQNIL-UHFFFAOYSA-N 498.608 6.026 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCCCC#N)C1=O 728776354 BJSGMNVSNBLEKY-NRFANRHFSA-N 485.009 5.311 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 728779057 XBGZJTZHGYKKFE-SFHVURJKSA-N 493.391 5.787 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729411378 QEQJLBLNMSFOCY-UHFFFAOYSA-N 465.550 5.052 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)nc1C 730588499 ZRFBZHPRLBHFOZ-UHFFFAOYSA-N 499.568 5.391 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730709978 GLEKZFIDCHLDGM-JOCHJYFZSA-N 490.972 5.642 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(C(C)C)c2)s1 730726586 ICZGRCZYUWCQQG-HXUWFJFHSA-N 479.631 5.130 30 20 JKED CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N 730951579 JDOUOTFKKIWQQE-KRWDZBQOSA-N 494.642 5.466 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2F)c1 731312199 JHJGZVHDQRDAQA-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c1 743526834 XAQQCLCJPNKKRR-OAQYLSRUSA-N 484.528 5.039 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2c(S)nnc2-c2cccs2)cc1 744739370 XYZQJAMGBHCUHX-UHFFFAOYSA-N 472.599 5.098 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 745268271 YWCUFGYDTCBBJA-MRXNPFEDSA-N 466.390 6.101 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1F 746695876 JBCZXQTVGYLOCJ-QFIPXVFZSA-N 471.598 5.220 30 20 JKED C=C(C)COc1cc(/C=C(\Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)ccc1OC 747063608 OCRWWAASSQJNMV-PXNMLYILSA-N 450.844 5.642 30 20 JKED C=CCc1cc([C@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)N(C)C(=O)N2C)cc(OC)c1O 747141944 ZZQXEUKUBWRDDW-NRFANRHFSA-N 489.494 5.099 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)cc1 747602279 ZIWYEXOIFBVHKC-FQEVSTJZSA-N 468.579 5.005 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1Cl 750303446 LVJOLEHRNFNXHN-IRLDBZIGSA-N 489.881 5.749 30 20 JKED CCOc1c(OC)cc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC 750894582 WVHOWAMPEGKOJV-OVCLIPMQSA-N 481.570 5.108 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cc(Br)c1OC(F)F 750919379 IFPYOWVWKMQFHG-UHFFFAOYSA-N 483.338 5.187 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)C2CCCC2)ccc1Cl 758773095 HNGMWKUCTINBBT-UHFFFAOYSA-N 467.418 5.389 30 20 JKED CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1c(F)c(F)c(F)c(F)c1F 765846258 XKSGOPBTDKFXDE-JTQLQIEISA-N 454.361 5.640 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1ccccc1C(F)(F)F 799211213 JXOKICJWTABVTP-HNNXBMFYSA-N 493.404 5.367 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(Cl)c(Cl)c1 799212583 JGTQGBDLSXKBNU-HXUWFJFHSA-N 490.412 5.376 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)c(Cl)c1 799216051 ZSITYITWRQRHBG-MRXNPFEDSA-N 484.767 5.379 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(CC(F)(F)F)C2=O)cc1Cl 799219006 JLQCGXFLCZVGAV-QGZVFWFLSA-N 485.915 5.180 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3ccccn3)C2=O)cc1 837386824 CDJGBAJUIZRJKP-KOSHJBKYSA-N 486.597 5.314 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccs3)C2=O)cc1OC 837855514 GVWVRAFYUDELPS-QFIPXVFZSA-N 495.626 5.234 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 873724446 YORBLSFJLQOJTC-XAJWNILRSA-N 493.585 5.164 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(C)C)c1 913119417 NDNMJWIFDWXHGX-DEOSSOPVSA-N 488.613 5.415 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@H](C)Cc1ccco1 914689964 FNXXGQVCNFMQDV-NTKDMRAZSA-N 491.613 5.497 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915103966 IPRLKLITBCVVJP-HNNXBMFYSA-N 498.452 5.822 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)s2)o1 915467791 OMJCERNLZXSXKY-UHFFFAOYSA-N 455.561 5.018 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(C3CCCC3)C2=O)c(OC)c1 916212119 UAXDIPKMJAGNIF-HSZRJFAPSA-N 481.618 5.224 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(SC(F)F)cc1 916214975 ROYLAOPTGBNWAF-LJQANCHMSA-N 489.569 5.350 30 20 JKED O=[N+]([O-])c1ccc(NN=Cc2ccc3ncccc3c2)c(S(=O)(=O)Nc2ccccc2Cl)c1 916258487 XYRZSLMGBWKPFT-UHFFFAOYSA-N 481.921 5.043 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(SC(F)F)cc1 916885695 AKBYJLCGORROGJ-INIZCTEOSA-N 477.945 5.668 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccc(SC(F)F)cc1 916887367 NLRJFCCWCPMWAR-HXUWFJFHSA-N 456.514 5.191 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916900684 VAUTYSROZICKHG-FQEVSTJZSA-N 452.297 5.207 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 916902793 JVWZUTZOIPPRPI-IBGZPJMESA-N 499.398 5.311 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 916904510 FJMPHCBPBMPXSF-HSZRJFAPSA-N 482.540 5.070 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916924258 AOSVEIUWUWESEP-HXUWFJFHSA-N 455.489 5.189 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1OC 916935293 OEACESGHQPVPNS-HSZRJFAPSA-N 459.546 5.196 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045063 XVKQEIAHFNQDKL-IAQYHMDHSA-N 463.868 5.198 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1nc2cc(Cl)ccc2s1 917046195 HHHGOJINNCJNTG-SFHVURJKSA-N 453.951 5.175 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@@H](c3ccccc3)C3CCCCC3)nc(O)c2C#N)cc1 917201771 PIVHTHDKESOCFW-DEOSSOPVSA-N 488.613 5.259 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=S)Nc2cccc(Cl)c2C)cs1 917534514 ZXANJAQYSOJZLK-UHFFFAOYSA-N 458.012 5.418 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OC(F)(F)F)cc2)cs1 917560639 UEOHVJNUWJWWLF-WDZFZDKYSA-N 450.413 5.762 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c(C)c1 917672525 PRAYUVJWXYQVQF-QFIPXVFZSA-N 494.020 5.216 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)s1 917702562 UNAMTCNUFFSGFC-OAQYLSRUSA-N 478.574 5.228 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917704426 UWRPVAWXKHQQIM-MBSDFSHPSA-N 472.570 5.133 30 20 JKED COc1ccccc1-n1c(-c2ccccc2)cnc1SCc1nc2ccccc2c(=O)n1CC#N 918022906 BHNVLJZHBACCEI-UHFFFAOYSA-N 479.565 5.074 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 920107840 HBTTWSMEJDSQLZ-SCLBCKFNSA-N 474.369 5.618 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1 920143296 OTBULTSYGRQQMJ-LJQANCHMSA-N 499.539 6.380 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@@H]2CCCC[C@@H]2c2ccccc2)C1=O 920169770 IGYBMEGZXGSEIR-NJYVYQBISA-N 487.572 5.082 30 20 JKED N#C[C@@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1 920323738 FYSGIBRVURIVSB-XBKPFLSXSA-N 477.608 5.355 30 20 JKED CCCCCCn1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccccc2c1=O 920806259 JJBZIBNUNCADCG-GOSISDBHSA-N 492.551 5.869 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC2CCC2)c1 920927771 YGDIAIHNXVYIRM-FQEVSTJZSA-N 491.535 5.474 30 20 JKED Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(C#N)cc5)cc4)CCC3)c2[nH]1 1785881513 BMHMBIOCBATTGE-UHFFFAOYSA-N 462.553 5.338 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3nc4ccc(Cl)cn4c3C)CCC2)cc1 1786367625 YJQHJHGDLIWQKE-UHFFFAOYSA-N 480.996 5.027 30 20 JKED CC(=O)c1ccc(OCCCC(=O)NC2(c3ccc(NC(=O)C#Cc4ccccc4)cc3)CCC2)cc1 1787776751 GYFHYQAYNUAEHE-UHFFFAOYSA-N 494.591 5.234 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)CC(F)(F)F)cc3)CCC2)cc1C#N 1787876810 APZGPEWOYSBNEZ-UHFFFAOYSA-N 459.468 5.046 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5cc(C)[nH]c45)cc3)CCC2)c(C#N)c1 1789019113 OATZTNBETBWTHX-UHFFFAOYSA-N 492.579 5.347 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CCC1)c1ccc(O)cc1 1789077621 GMLLPTFAXBTXOE-NRFANRHFSA-N 493.563 5.478 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1)c1ccccc1 1789600876 SRPKSNFPGHRGAC-VWLOTQADSA-N 476.580 5.508 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(Cl)c3)CCC2)cc1 1790567797 PQSPIMYZSCGRJA-GOSISDBHSA-N 486.012 5.676 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccn5nccc45)cc3)CCC2)c1 1790899512 LZNPLKPLAJRVGC-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)/C(C)=C/CC)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1792065661 ULFKYBLZTJHIAO-PHKVRQNRSA-N 467.610 5.042 30 20 JKED CC(C)n1nccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792125391 YFSFZEBPVZDTPM-IBGZPJMESA-N 455.562 5.153 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C)CCC2)cc1 1792336639 CWFZXHSOZUQLME-WHLCRQNOSA-N 493.604 5.114 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2)c1ccccc1 1798556135 HVPRYYDKYBGXTN-NDBXHCKUSA-N 482.546 5.083 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1802389793 POOVESKIPFWVAR-CUBQBAPOSA-N 498.627 5.105 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1802432279 QKBNLUGTAFBRPP-BLQJKXSGSA-N 451.636 5.245 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1 1802489954 CLJYEWBSVSYXJW-NFBKMPQASA-N 450.627 5.019 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1802494655 FPZPYONYSAMSRF-GBXCKJPGSA-N 480.008 5.793 30 20 JKED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1803524214 UXHARJCMQLNHMP-ACDBMABISA-N 471.479 5.053 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1803849979 RFTRADNMPUIYHP-JMGPTOKJSA-N 494.451 5.465 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4C[C@@H]4c4ccc(F)c(F)c4)C3)CC2)c1Cl 1805610309 OJHGFNVMJRDDIE-RTWAWAEBSA-N 497.973 5.138 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)C2)CC1 1805894549 RADKSUOPHOMBLI-UPVQGACJSA-N 497.680 5.004 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)CC2)C1 1806025551 LVJHQHSVDQJZLW-NRFANRHFSA-N 496.648 5.076 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1807479108 YWWSPFFLTFLKAV-AZGAKELHSA-N 483.603 5.274 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)CC2)C1 1809512080 ICLZEJKGSMQGGI-UHFFFAOYSA-N 481.596 5.781 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 1809552787 DSXDLNUICSTBJG-CYRJMILMSA-N 499.014 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810498425 MCXKZXPGCXPIBN-CYFREDJKSA-N 479.024 5.528 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 1811935846 GHXVXYCXVBRYLJ-CUBQBAPOSA-N 474.564 5.048 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[C@@H]1c1cccnc1 1812448930 QJUBJWKOPNQDIA-VLUSQRCCSA-N 499.577 5.190 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[C@@H]1c1cccnc1 1813058240 MNDJXIFDTSCJJK-NFQMXDRXSA-N 489.019 5.058 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1c1cccnc1)c1ccccc1 1813547703 LLBOWWYYYZITOE-DBHPEBNYSA-N 471.645 5.111 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)cc3C(F)(F)F)[C@H]2c2cccnc2)C1 1813976058 NZLBPSFJROSOJQ-IIBYNOLFSA-N 477.914 5.040 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)[nH]n2)C1 1814397048 QEOMSSRJRFVISA-DEOSSOPVSA-N 480.572 5.225 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2Br)n[nH]1 1814613997 ZQLGILSRWXEJJL-UZLBHIALSA-N 489.389 5.386 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818117311 ISNRDFMFTOGDFU-DOJUMQAQSA-N 482.993 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)[nH]n1 1819303092 CPUBOOWQCCHUHB-PZJWPPBQSA-N 489.542 5.217 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(C(C)(C)C)cn2)[nH]n1)c1ccccc1 1819519546 VGWCQTSOMSGEKI-URXFXBBRSA-N 498.631 5.000 30 20 JKED Cc1cc(Br)sc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1 1820315625 JGSVSDCJSBNGAL-QGZVFWFLSA-N 498.406 5.034 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)[nH]n2)c1 1820486119 VBYFVBNVIVADNC-XMMPIXPASA-N 489.535 5.800 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(F)cc2F)n[nH]1 1821029789 KGKIOLGYPIDDEH-JLTOFOAXSA-N 462.928 5.416 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)c1 1821033193 UOERRVDYBUWRGE-RCDICMHDSA-N 497.933 5.588 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC(C)C)cc3)n[nH]2)c(C#N)c1 1821249981 BAWHVBONAFLBMB-SANMLTNESA-N 499.615 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sc(C)cc3[nH]2)n[nH]1 1821440467 JQTWSUCKZQFLDP-LJQANCHMSA-N 453.612 5.559 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821759333 WKQKOPLLLMCBOK-SFLYRZDNSA-N 484.044 5.127 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@@H](C)c3ccccc3)n[nH]2)cc1C#N 1822044518 LNWORERGQFBSRR-NLFFAJNJSA-N 499.615 5.568 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1822580065 LWOAIRDJAGWAML-NRFANRHFSA-N 451.958 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2OC(F)F)n[nH]1 1823262222 YZSOALCYPYCMRD-LJQANCHMSA-N 458.509 5.085 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824392109 LHPZXKMVRSFKPE-CLOONOSVSA-N 496.076 5.626 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1824393198 YTGSDOXDGVJROW-KBMIEXCESA-N 479.621 5.111 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 1824497916 IXBPJXZJRSGJMP-SANMLTNESA-N 466.666 5.101 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825962484 NUMGWQSRBWKLGZ-QGZVFWFLSA-N 462.459 5.052 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1827167725 CPWDWSNBKNZCSK-GDLZYMKVSA-N 496.655 5.225 30 20 JKED CCC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)n1cccc1 1827629217 HWYVLVWYPOIFFY-ZEQRLZLVSA-N 481.040 5.288 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360815 PXFXPSIMSSKHBQ-DXMHNEBDSA-N 463.622 5.022 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1828906838 KHPLOYLFMTWGHO-VWLOTQADSA-N 498.143 5.496 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccccc3o2)CC1 1828907170 WVSJBMFGUUHHBL-QHCPKHFHSA-N 479.697 5.112 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)CC1 1828936860 SXPPBTRTUWDXHW-LFBFJMOVSA-N 466.691 5.486 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829232813 LBCRFVJSUVYVAX-HXUWFJFHSA-N 466.453 5.614 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)CC1 1830114694 IMCITLBTRUHJJW-QFIPXVFZSA-N 461.046 5.574 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C)CC1 1830359685 ZFWRWVQYPCHKQC-RPBOFIJWSA-N 497.680 5.088 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)ccn1 1830602349 XDRMAZLVKVDQDH-SSEXGKCCSA-N 491.635 5.337 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)c1 1830718120 AJOQVVCWRHVQHA-RUZDIDTESA-N 494.517 5.004 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1831369485 AKCZJCUYKCDUHS-XMSQKQJNSA-N 450.545 5.080 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832714744 KJZNVHDIAVUWOX-VFNWGFHPSA-N 486.415 5.167 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)CC1 1838424606 ONBBMXZAOPHPPA-UHFFFAOYSA-N 497.655 5.231 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)CC1 1838736763 QYZURNABSOXHQF-SFHVURJKSA-N 481.464 5.137 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 10015033 SWJGAFLATVYLSR-UHFFFAOYSA-N 479.606 5.481 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(C)c2)c1 10172401 HJGMBLYECKAPKC-UHFFFAOYSA-O 467.614 6.743 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)cc2)cc1 10173228 WHPJLIYBTLAYGQ-UHFFFAOYSA-O 453.578 6.515 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1C#N 10711260 IYCOWKKRGCMPNG-DEOSSOPVSA-N 471.582 5.706 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1 10830201 SFUHQHZVACTVEE-UHFFFAOYSA-O 492.451 6.923 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(Cl)cc2)cc1 10832179 APYZYNSSSPQBQM-UHFFFAOYSA-O 452.043 6.538 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1 11251431 HEJLZBGQPCCYJN-UHFFFAOYSA-O 495.571 5.359 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 11262408 MXIWVXLBKLLKCR-UHFFFAOYSA-O 483.632 6.878 30 20 JKED C=CCN(C(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)c1nc(-c2ccccc2)cs1 14723477 MJVIKXSGFBNZTE-MRXNPFEDSA-N 496.683 5.566 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872319 KYSKXVVYJCMMGD-UHFFFAOYSA-O 470.033 7.030 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)o2)cc1 18753921 OEPCBQLHAHXZLE-FQEVSTJZSA-N 457.511 5.115 30 20 JKED N#Cc1cccc(C(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccco2)c1 21353311 FSFRGEIQNUDIEY-UHFFFAOYSA-N 461.827 5.105 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1-c1cccs1 33163220 MNEVLVKTUYDKPV-UHFFFAOYSA-N 457.349 5.465 30 20 JKED N#C[C@@H](C(=O)CSc1nc(-c2ccco2)nc2ccccc12)c1nc(-c2ccccc2)cs1 46582174 NVUBOZRRJNSLRM-SFHVURJKSA-N 468.563 5.982 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2cccc(COCc3ccccc3)c2)CC1 46758177 DIKWMPOXHZLEJO-UHFFFAOYSA-N 496.567 5.056 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 72024769 DHZXJGLHTDLUBQ-UHFFFAOYSA-N 455.583 5.517 30 20 JKED COc1cc([C@H](C#N)NC(=O)/C=C/c2cc(C)n(C3CCCCC3)c2C)cc(OC)c1OC 110569717 YIHLULSCSUIAQB-LEQVUBRHSA-N 451.567 5.030 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)cc12 195741162 BDHMMYGORHMNMF-MRXNPFEDSA-N 484.368 5.118 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1C(F)(F)F 481945228 MPXSJPZCULWZJY-UHFFFAOYSA-N 468.357 5.265 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(C)=O)c2C)c1 484258834 CCTUKKGVGDBUBB-UHFFFAOYSA-N 498.004 5.240 30 20 JKED Cc1cccc(CN(CCN(C)C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 491550877 MJCQXVAZSFLHCW-UHFFFAOYSA-N 456.590 5.236 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 495090599 QLWWMJLZILPKGP-QFIPXVFZSA-N 474.630 5.427 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1C 498004810 SAJSIGZBLJSDJX-DEOSSOPVSA-N 475.662 5.345 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1C 501551713 NYKGTDBDLKBPEJ-UHFFFAOYSA-N 463.607 5.699 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)c1nc(C(=O)OCC)cs1 501949073 NDQVPZPXFWFIHO-UHFFFAOYSA-N 467.399 6.188 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nc2ccccc2c1=O 503205370 CNAKJJVCLDLICH-INIZCTEOSA-N 490.610 5.016 30 20 JKED C=CCn1c(SC[C@H](O)COc2cccc(C(C)=O)c2)nc2scc(-c3cccs3)c2c1=O 508507200 ZNPPTLQOKZYSJV-QGZVFWFLSA-N 498.651 5.107 30 20 JKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 509265234 UTUIVYCUKRNOLG-UHFFFAOYSA-N 467.569 5.570 30 20 JKED COc1cccc(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 510004232 DTMMFUCNZNTCAW-DEOSSOPVSA-N 460.965 5.358 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3csc(-c4ccc(Cl)s4)n3)s2)cc1 512795962 CDWGGQWVZQZPQD-UHFFFAOYSA-N 490.060 5.722 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 515665944 SQBGGMSWCYZNSK-UHFFFAOYSA-N 457.393 5.339 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc4c(cnn4Cc4ccccc4)c3)n2)cc1 516270034 KWQBEWVMCJBVDJ-JOCHJYFZSA-N 465.538 5.102 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)n1 516347132 ZGJAQZQMDKBNSA-ZDUSSCGKSA-N 491.953 5.225 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1Cl 517286732 ZZDQSBUMXGTRLN-XMMPIXPASA-N 485.971 5.055 30 20 JKED C=CCN(C(=O)Nc1ccccc1COc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 517527375 FFGMAFIIFBYAOI-HXUWFJFHSA-N 454.534 5.022 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1cccc(C(F)(F)F)c1 518158484 OMVIYXYXKJQJLR-LJQANCHMSA-N 463.525 5.553 30 20 JKED CCC[C@H](NCc1cccc(OCc2ccccc2C#N)c1)C(=O)N1CCc2sccc2C1 518279481 YQYDVYIQNGYNQG-VWLOTQADSA-N 459.615 5.042 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 518675920 WUVMOXLHPULZRG-IBGZPJMESA-N 465.619 5.070 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cc1[N+](=O)[O-] 519941941 OCRSTXBVJHEEOH-UHFFFAOYSA-N 498.499 5.129 30 20 JKED C=CCCO[C@@H](C)C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 519999764 SWMRUXIZGYRTHW-YJBOKZPZSA-N 465.413 5.066 30 20 JKED C=CCCO[C@H](C)C(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 520685310 DTKHBMHJVUZVGB-QAPCUYQASA-N 454.514 5.322 30 20 JKED C=CCN(C(=O)c1csc(-c2ccccc2F)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 521266669 OWBVCSLEZIGBBI-UHFFFAOYSA-N 466.519 5.814 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 521453303 PWQOPNVAVFVQSO-UIOOFZCWSA-N 459.521 5.513 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 521785568 VAFSXRWMLPXVBZ-UHFFFAOYSA-N 461.949 5.585 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 522164458 KZAKQEDZASIHAM-LJQANCHMSA-N 482.613 5.131 30 20 JKED C=CCn1c(SCC(=O)N2CCN(C)c3ccccc3C2)nnc1-c1ccc(Cl)cc1Cl 524333718 OVVRVVLOBBHWCL-UHFFFAOYSA-N 488.444 5.009 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 524463329 XSZHRMLQVGKZIM-UHFFFAOYSA-N 463.971 6.506 30 20 JKED C=CCn1c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nc2scc(-c3cccs3)c2c1=O 589698910 IJNCGKLQVGLPQM-LJQANCHMSA-N 490.635 5.142 30 20 JKED C=CCn1c(SCc2nccn2CC(F)(F)F)nc2scc(-c3cccs3)c2c1=O 589971767 UACVHZJIGDUFSP-UHFFFAOYSA-N 468.551 5.424 30 20 JKED C[C@@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(Br)c1 594838764 SXLJSFZCJBFZSL-FBIMIBRVSA-N 465.207 5.422 30 20 JKED CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603622946 AAICAANUAUMVQZ-PPXQLYMYSA-N 472.589 5.041 30 20 JKED COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603673265 VAEICVOEBWUKDR-QFIPXVFZSA-N 494.016 5.102 30 20 JKED Cc1nc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)sc1SCC#N 603775558 RSFCUBOHMDQKPS-UHFFFAOYSA-N 491.442 5.543 30 20 JKED CCCCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 604507356 VEJVVNNETGVCEM-UHFFFAOYSA-N 459.521 5.044 30 20 JKED N#Cc1cc(NC(=O)CC23C[C@@H]4C[C@H](C2)CC(C(=O)Nc2ccc(F)c(C#N)c2)(C4)C3)ccc1F 609102596 JZBUMXWTHSPLQM-NXYAMENCSA-N 474.511 5.262 30 20 JKED C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 609109915 VLFZOCZNNSYHBZ-CLOONOSVSA-N 453.546 5.048 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)O[C@@H](C)C2 609356090 VXZGYNCPPMCDRR-YROCYRMSSA-N 470.529 5.145 30 20 JKED Cc1c(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cccc1[N+](=O)[O-] 609387036 GZZDCTWPRCKBFO-CYBMUJFWSA-N 452.458 5.367 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)CCOCC2)cc1 609399238 JKULUYAEJDSOJN-LJQANCHMSA-N 453.608 5.207 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(CCc1ccccc1)Cc1ccccc1 609437144 AVBLUKIWIOLFSX-OAQYLSRUSA-N 457.599 5.291 30 20 JKED N#C[C@@H](C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347371 ZHDWTDYUNNYZOP-SFHVURJKSA-N 470.381 5.729 30 20 JKED O=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623654946 ZWCPIRLABDYDMF-OKILXGFUSA-N 465.369 5.285 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 642158347 QURQURSMKSUNFB-ZIAGYGMSSA-N 491.398 5.343 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(C(F)(F)F)c1 642282493 WRIYAQQGYMWNCF-OAHLLOKOSA-N 459.378 5.434 30 20 JKED O=C(Cc1csc(NC(=O)c2ccccc2F)n1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642545729 GWXCLBJTLRWAJQ-QWRGUYRKSA-N 497.436 5.103 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 726392287 GASUNWCSFHJGLH-MWTRTKDXSA-N 497.567 5.503 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726407549 SLVXUZIFVYKSGD-HXUWFJFHSA-N 495.029 5.742 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H]1CCc2c(Cl)cccc21)c1cccs1 726415726 KSTHRSNDGUQVMP-HPLSLQLKSA-N 474.051 5.119 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N/[C@H](C)c2cccs2)cc1 726420966 NGMCFKDTUJAVEX-IMPGVWCTSA-N 497.617 5.486 30 20 JKED Cc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Oc3ccccc3)cc2)cc1 726569485 ALOFRHAATITXML-UHFFFAOYSA-O 482.585 5.581 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)c(C)c2)cc1 726570928 AEIWJHZIROWGRQ-UHFFFAOYSA-O 463.026 6.392 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(Br)c2)cc1 726571145 FKFKEEJNLBCQJQ-UHFFFAOYSA-O 485.814 5.893 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 726755321 HYTAZVDYRQIYCO-UHFFFAOYSA-N 486.531 5.422 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cs1 727781350 KGALCYYJGKZJSG-SDNWHVSQSA-N 459.596 6.464 30 20 JKED COc1ccc(Cl)cc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728052352 APZWIAVCYOQKKS-UHFFFAOYSA-N 456.329 5.503 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCc3nnc(-c4c(Cl)cccc4Cl)o3)o2)cc1 728109366 NYWOYBZZEHHGGB-UHFFFAOYSA-N 470.268 5.444 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 728119179 JRWDKWUXPVKWKC-OFNKIYASSA-N 492.620 5.603 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cc(F)ccc2F)C1=O)Nc1ccccc1F 729631458 NKYFNPNVVMYFLQ-NRFANRHFSA-N 487.478 5.404 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ncccc3C)C2=O)c1 729634337 KNYIIVMPMUJFLO-QFIPXVFZSA-N 495.004 5.213 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3cocn3)C2=O)cc1 730710706 QCUWJBJMHXKCFH-HSZRJFAPSA-N 470.554 5.297 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 731024601 ASYLTDHERHUBHM-CLHDZIPGSA-N 477.611 5.603 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccc(Br)cc2)CC1 731063814 MXSKMFGMZRATNR-HNNXBMFYSA-N 473.392 5.057 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2 731137067 YVACENGQNQMCFK-HSZRJFAPSA-N 454.574 5.146 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)c(Cl)c1 731308649 OVPMZXVRSZKUBD-SZNDQCEHSA-N 498.967 5.301 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1ccco1 731308756 NJZXHBWHDLXJIB-SBUREZEXSA-N 477.586 5.139 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 731407475 WDLNXLJUEHUZRG-DNVCBOLYSA-N 461.509 5.402 30 20 JKED CCOCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccccc2C#N)C1=O 742834453 UXYWEFAEQACZEZ-UNOMPAQXSA-N 489.416 5.142 30 20 JKED Cc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 824076453 RXCRPFZUZYQCMI-QZTJIDSGSA-N 472.570 5.027 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1 838094395 PNMWTWVQTMMZQI-OAQYLSRUSA-N 483.590 5.446 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccc(F)cc2)C1=O)Nc1ccccc1F 838545041 OJLNQXJUMMEPAH-NRFANRHFSA-N 487.478 5.404 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1F 838576015 UCFMYLBKJOONBV-JOCHJYFZSA-N 483.540 5.115 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(-c2nc(CC3CC3)no2)ccc1Cl 904611389 UCTRQFJEEQFOOM-UHFFFAOYSA-N 464.374 5.377 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N(Cc4ccc(C#N)cc4)C(C)C)cc3)ccc12 914502080 QVIRRBUTNJETOZ-UHFFFAOYSA-N 466.537 5.603 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(F)c2)c1 914772558 DNFPLWXZYURWOV-JOCHJYFZSA-N 499.514 5.273 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(F)c2)cc1 914773039 VZMLDBZSELBTEC-HSZRJFAPSA-N 493.560 5.003 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 915086270 JAHSBRQLKURYEZ-WIOPSUGQSA-N 457.961 5.486 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2cccc(F)c2)cc1OC 916134143 DAPHCNJMBPMLAP-POHAHGRESA-N 469.896 5.410 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)c(F)c1 916141381 GZDQMXYRCYKVLI-YRNVUSSQSA-N 469.896 5.410 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C[C@@H]3CCCO3)C2=O)c1 916204312 BWAPHBLMNJGFBL-UWJYYQICSA-N 490.000 5.235 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1cccc(C)c1 916206665 RGYLZEQTMAOHNV-OAQYLSRUSA-N 490.025 5.044 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c1 916208109 UDTXTDHAHAVAEK-LJQANCHMSA-N 472.408 5.189 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccco3)C2=O)cc1 916216836 ZVMMYLAJKJAPIZ-HSZRJFAPSA-N 475.570 5.260 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1 916910006 MYKNYXXFKWSJIJ-GOSISDBHSA-N 462.962 5.572 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 916955833 VDPQZHZXFQMZDC-IFCGJNOESA-N 455.967 5.004 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc2cc(Cl)ccc2s1 917046940 XHWOCBVLJFLLKG-OAHLLOKOSA-N 457.342 5.852 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)n1-c1ccccn1 917164570 OYCZSLIDQBWJSB-UHFFFAOYSA-N 481.503 5.679 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cccc(C)n3)C2=O)cc1 917663195 MJURNEQCZIORHJ-HSZRJFAPSA-N 492.576 5.088 30 20 JKED CCc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3cccnc3Cl)=C2C)cc1 918031952 BFGSAOVFJIKQFH-QHCPKHFHSA-N 488.016 5.518 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(Cc2cccc(F)c2)C(C)C)c1=S 919951324 RGCWYTUJBHEZKB-JOCHJYFZSA-N 454.571 5.120 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3/COc4c(F)cc(F)cc4C3=O)cc2OC)cc1 920066222 MFKOTMKZWFUGBV-YVLHZVERSA-N 495.478 5.048 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 920869018 MKMDCSXMJXQDER-UGSOOPFHSA-N 498.407 5.375 30 20 JKED CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C#N)cc1 1728253658 VEBBTAFRGHRAFM-GOSISDBHSA-N 478.597 5.000 30 20 JKED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CCCCCCCCCCCc3ccccc3)C2)C1 1785515292 RHOPLNRLSDKKIU-LJAQVGFWSA-N 481.681 5.264 30 20 JKED CC(C)n1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)c(C(F)(F)F)c1 1785934826 DGNXGPKBSJGYSF-UHFFFAOYSA-N 460.500 5.385 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCOc4ccc(F)cc4)cc3)CCC2)c1 1785988149 RZGKXNBGGOQOKD-HXUWFJFHSA-N 485.559 5.670 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCCOc4ccc(C(C)=O)cc4)cc3)CCC2)C1 1786200875 KGAWFWDBLYCFEM-UHFFFAOYSA-N 460.574 5.149 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)Cc4c[nH]c5ccc(C)cc45)cc3)CCC2)c1 1786781193 WYINPIYUCHLCNF-UHFFFAOYSA-N 492.579 5.347 30 20 JKED COc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)n1 1786813060 CHVTYFNRPJIHHQ-FQEVSTJZSA-N 482.584 5.098 30 20 JKED CCc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1787095897 RFJOPFSVWNSRKN-LJQANCHMSA-N 452.558 5.333 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3CCCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1787613120 RMSPWOLDEANQEK-QFIPXVFZSA-N 469.626 5.170 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787952174 YJBIMTAJCVAHKL-MPYJOUPCSA-N 487.644 5.481 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C(F)(F)F)cn3)cc2)CCC1 1788388073 RKIALMAOCFYUFP-UHFFFAOYSA-N 460.500 5.236 30 20 JKED Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)s1 1788867981 UOVXBHBYGKFYJU-UHFFFAOYSA-N 484.503 5.404 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)c(C(F)(F)F)n1 1788877197 HFLDSQBCOQTANY-UHFFFAOYSA-N 488.853 5.280 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)cc3)CCC2)c1 1789153519 FDUFVEZVFWFKHL-FGZHOGPDSA-N 458.949 5.091 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789457951 IDAGIBFETITHPF-QPPBQGQZSA-N 495.664 5.536 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1 1789508044 FRJDKYICFXOTDC-UHFFFAOYSA-N 472.665 5.362 30 20 JKED CC(=O)Nc1cccc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c1 1789510010 VBXBIOINEUDOAN-UHFFFAOYSA-N 489.692 5.444 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc4cncn4c3)CCC2)cc1)c1ccccc1 1789600586 OHUKVBCADPGSHB-MHZLTWQESA-N 476.580 5.279 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cnc(-c5ccccc5)s4)cc3)CCC2)CCC1 1789880492 LDNOOHJRIZOCHX-UHFFFAOYSA-N 456.571 5.252 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789995843 SNSVQMIDEKYAPM-UHFFFAOYSA-N 452.514 5.479 30 20 JKED Cc1noc(C)c1CCC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790081972 VAFNWZYJZKDLHK-UHFFFAOYSA-N 476.964 5.197 30 20 JKED CC(C)(C)n1ncc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1Cl 1790703538 QZWHTWHJVDUDCX-UHFFFAOYSA-N 490.007 5.419 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)cc2)CCC1 1790814789 GBVKKSJQAUQLSS-OAQYLSRUSA-N 493.560 5.128 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cc6ccsc6[nH]5)cc4)CCC3)c2c1 1790877286 VTORXEJIYCDBBP-UHFFFAOYSA-N 480.553 5.039 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1)C(F)(F)F 1791305441 LLXNQXWNDOZXQQ-UHFFFAOYSA-N 493.485 5.427 30 20 JKED COc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1C 1792077121 PFWWVDJIQHWMFY-UHFFFAOYSA-N 453.542 5.131 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CC(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204159 OJYIIRXXWWQVAW-NRFANRHFSA-N 457.615 5.026 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4occc4n3-c3ccccc3)CCC2)cc1 1792265184 AVMQWCHLACCSIZ-UHFFFAOYSA-N 451.526 5.385 30 20 JKED Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C3)c(C(F)(F)F)o1 1795140797 BYLLGEIYZPEKNA-MUJYYYPQSA-N 492.391 5.330 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)[C@@H]2c2cccnc2)C1 1802418085 QCUUKDJMGIIMEX-PWUYWRBVSA-N 490.607 5.287 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)[C@H]1c1cccnc1 1802499238 REYPSFSYUFKPPM-XLIONFOSSA-N 475.420 5.095 30 20 JKED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1802692449 OAUQRVVRCIJKOI-NVQXNPDNSA-N 498.652 5.243 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C2CCC(F)(F)CC2)[C@H]1c1cccnc1)c1ccccc1 1803327344 MCMRGPIFTXNJOZ-KKUQBAQOSA-N 493.598 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1804000273 OAGLRPPNXIGAMS-YHPQFSOISA-N 499.577 5.812 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C3CCN(c4ccccc4)CC3)CC2)C1 1804859857 QCMGXZNRDVNINL-UHFFFAOYSA-N 465.682 5.127 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)ccc3Br)CC2)C1 1805451477 JJTNMFFCNSEGCH-UHFFFAOYSA-N 477.418 5.201 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCC2(CCCN(C(=O)[C@@H](S)C(C)C)C2)CC1 1806067643 ZCMATNIRURPGJR-VWLOTQADSA-N 496.758 5.246 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)CC1 1809274531 NIRLUDDVBXKHFV-UHFFFAOYSA-N 462.556 5.248 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1809787649 NMPWVMUGMRTTAT-BPYKYCOYSA-N 463.647 5.110 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811753140 UNNNKQLUVRUMCE-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1812682323 OAAXDFUPLHPZTK-ILBGXUMGSA-N 487.566 5.181 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1812905161 NGTFQVUDWLWGCA-VJGLKGPISA-N 472.633 5.245 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1813226940 WOAVDAPTPFCVPT-BHBYDHKZSA-N 497.614 5.325 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1813227170 PMVNRTCGVZDTKM-UQBPGWFLSA-N 480.033 5.463 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1814257632 KPHQSDZQXPXUCN-MEGDVHFJSA-N 482.628 5.359 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)Cc4ccc(C#N)cc4)n[nH]3)c[nH]2)cc1 1814495599 YZDNDBLWOGCTOA-SANMLTNESA-N 492.583 5.134 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2ccc(C(F)(F)F)cc2)n[nH]1 1815150027 BSPBLUCPLUUPDU-HXUWFJFHSA-N 494.583 5.363 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cnccc2C(F)(F)F)n[nH]1 1815792835 YYLREQGHCCEBCH-OAQYLSRUSA-N 489.542 5.217 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224979 ZHTILPBTUHGIBD-FQEVSTJZSA-N 451.958 5.044 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)[nH]n1)c1ccccc1 1819519649 WWXRUNADVFCAGH-UYAOXDASSA-N 464.953 5.159 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)nc(C(F)(F)F)c2)n[nH]1 1820161520 LDRIHDZLIKIASY-QGZVFWFLSA-N 493.530 5.130 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820217714 LRWBFWYNNSSGLO-OPAMFIHVSA-N 491.979 5.053 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 1820504943 BNNKGQKZRFVLJZ-MRXNPFEDSA-N 457.308 5.234 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3Cl)[nH]n2)cc1 1820549590 WOQCDLVRCXQCFV-HXUWFJFHSA-N 499.905 5.156 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccc(F)cc34)[nH]n2)c1 1821326494 XSKRFCLXTNKIAB-VWLOTQADSA-N 498.562 5.149 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2Cl)N(C)C)n[nH]1 1821764952 ZZGFQXLOPRETKV-JTHBVZDNSA-N 486.060 5.351 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)n[nH]2)CC1 1821869843 UYZLELMRTOZLPN-NRFANRHFSA-N 480.012 5.261 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1821987779 RRNRZSGAZBSDQM-FQEVSTJZSA-N 493.514 5.668 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[nH]n1 1822584301 IBYLODGBIIUWBH-SJBKTWHCSA-N 452.986 5.053 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)[nH]n2)c1 1823211673 OZCLYJGBPTUVMN-YBFNVKKMSA-N 453.546 5.056 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216310 GWXCPZHHZWNZPZ-JTSKRJEESA-N 475.980 5.618 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1823423836 PHDGIGYULWZYPJ-DEOSSOPVSA-N 465.557 5.049 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)c2c1 1823681885 CWYWHOWFCFUYRW-LJAQVGFWSA-N 496.655 5.143 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CC2)C1 1823702327 KSWYQVJZUMIWNJ-MHZLTWQESA-N 482.628 5.429 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1823752304 PECUCHLCZSTVFE-DEOSSOPVSA-N 453.602 5.533 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824497905 IKDZOVMGPKVDAI-VPUSJEBWSA-N 454.655 5.029 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1Cl 1824537593 DKKDTBFNLQCLAU-JTHBVZDNSA-N 481.102 5.315 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)CC1 1825000979 WDXPBFZHHXEDSB-UKILVPOCSA-N 473.057 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C[C@@H](C)c4ccccc4)sc3C2)c1 1825369368 OGXZMEIQEHSXLG-JBYIUTFZSA-N 472.614 5.190 30 20 JKED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)CC2 1826051803 JIIGKMJNBFFTPI-MRXNPFEDSA-N 486.519 5.026 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)cc1 1826569512 JBLNDOQVIPCELS-AREMUKBSSA-N 478.036 5.272 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 1826693155 KBUPGMKLYMEASN-XMMPIXPASA-N 470.057 5.465 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(cnn3C)c2)CC1)c1ccccc1 1828308250 YIUDTBZHWXODKD-XRKRLSELSA-N 496.655 5.004 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)c1 1828414214 SQIAVHIOVNVGCB-HYBUGGRVSA-N 453.602 5.219 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1 1828672867 KWYHWYXMYUCXIZ-GGAORHGYSA-N 451.636 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1828828564 LWWSMMRRTNGPCP-ZJSXRUAMSA-N 465.663 5.606 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829574104 ZAWAWUWRLAICFX-QFIPXVFZSA-N 495.570 5.873 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)CC2)c1 1829908487 ZSTXXNHUWICNFU-SANMLTNESA-N 482.584 5.226 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1 1830359464 XEWABEFIIGXPQG-RPBOFIJWSA-N 497.680 5.088 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830708041 KITGGELQPLXFHJ-CJFMBICVSA-N 482.715 5.531 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCN(c3ccc(F)cn3)CC2)CC1 1831198071 DNESPDLIHBQJGY-RUZDIDTESA-N 498.687 5.049 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1831371481 VWNRAHGJKFPANF-GCJKJVERSA-N 467.576 5.533 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831779658 GKINWRQXCAHYDY-AVRDEDQJSA-N 463.087 5.090 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1831844141 ZTIGQQGGDLOKDE-VGOFRKELSA-N 488.053 5.079 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1831858032 BPGJVCMNEQCKES-VWLOTQADSA-N 457.618 5.624 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c(C)n1 1832091279 CXDUQUDUOJYNDG-SANMLTNESA-N 493.051 5.090 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)c3cccs3)CC2)cc1C#N 1832146950 FYQCIBSITXNEOW-GBXCKJPGSA-N 493.673 5.444 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832585603 UDYHVQOIXMQBBI-RLWLMLJZSA-N 473.617 5.178 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832712772 HSNQNTONCGBYOA-IERDGZPVSA-N 454.508 5.290 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)C1 1844626784 KJLFDDCWRXMQAC-UHFFFAOYSA-N 497.715 5.474 30 20 JKED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2ccc(F)c(F)c2CSc2ccccc2)C1 1844759077 FFMMOQHUQXDJLY-JOCHJYFZSA-N 490.641 5.029 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 11164123 ONSVVPMNBFCPCI-UHFFFAOYSA-O 465.708 7.224 30 20 JKED N#CCc1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 15499112 NGHLREFLTKDHIT-OAQYLSRUSA-N 465.307 5.215 30 20 JKED Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 16792736 FFGNUKIQBUAFAH-LJQANCHMSA-N 487.581 5.090 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18616400 ANVDGNXSAMWRES-CQSZACIVSA-N 464.616 5.053 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 21419305 BMQFRLYDYLXJHM-UHFFFAOYSA-N 451.693 5.720 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 21644946 NIYXKKROEDNCJV-GOSISDBHSA-N 464.616 5.343 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccc(C)c3)n2Cc2ccco2)cc1 26489752 QYTFFEPTIWJAIJ-OAQYLSRUSA-N 485.613 5.631 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O 26858008 BTSFNGGSROGLQO-UHFFFAOYSA-N 493.972 5.353 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)c2)c1 32289470 BIPNLGFYKCDMLU-UHFFFAOYSA-N 474.567 5.089 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1-c1ccco1 32330525 QNJFZEDJEXKLBJ-KRWDZBQOSA-N 451.379 5.786 30 20 JKED N#CCN(C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)c1ccccc1 215740441 XXSLEEXURCWHRL-UHFFFAOYSA-N 474.636 6.126 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 218649188 XXUGCRVDFVLTAS-KRWDZBQOSA-N 490.535 5.091 30 20 JKED Cc1cc(C)nc(-n2nc(C)c(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2C)n1 302990999 XKJYVLPWUSRNQK-FQEVSTJZSA-N 476.993 5.092 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)cs1)c1ccc(F)cc1F 303127737 HKTIJOCWCDRFIW-CSKARUKUSA-N 499.539 6.573 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12)c1ccccc1 303346300 MPGYRSQBYGMBFL-UHFFFAOYSA-N 482.515 5.832 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cccc4ccccc34)cc2Cl)cc1 410385119 ANXOCWMIZSODSW-UHFFFAOYSA-N 455.901 5.412 30 20 JKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 485976264 LCUGHCQHBGUAQE-UKILVPOCSA-N 459.977 5.934 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)s2)c1C 497501017 RGBAHTRXECUIBJ-UHFFFAOYSA-N 492.630 5.561 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2c(C#N)cnc3ccccc23)CC1 500601607 LQRROGVGMHJCPV-UHFFFAOYSA-N 455.606 5.114 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)sc2c1CCCCCC2 503343127 HAWNGFCOYNOOQV-UHFFFAOYSA-N 461.925 5.703 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 508164101 STELNQHKFQIACN-UHFFFAOYSA-N 492.579 5.614 30 20 JKED N#CCCn1cc(C2=Nn3c(nc4scc(-c5ccccc5)c4c3=O)SC2)c2ccccc21 508744605 YRXQAIDUBIMWNU-UHFFFAOYSA-N 467.579 5.351 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510243743 MAGCTSRRDIXIKT-FQEVSTJZSA-N 465.604 5.470 30 20 JKED CCN(Cc1ccc2ccccc2c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510616379 NJNJOGUQVKZSCS-UHFFFAOYSA-N 459.600 5.909 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 511438565 MNXROVZVYZSIIN-RUZDIDTESA-N 458.562 5.273 30 20 JKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513207384 YDVUQGMASOHUHT-OAQYLSRUSA-N 460.459 5.811 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2CC(C)C)cc1 513915229 PGBPNWPWXLGAGE-IBGZPJMESA-N 463.607 5.037 30 20 JKED C[C@H]1CN(c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@H](C)O1 513985280 MROREECMNJIVRM-SFTDATJTSA-N 472.564 5.545 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc(Cl)cc1 514357433 MUQKDOXURMIIQM-MAUKXSAKSA-N 459.040 5.690 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1ccccc1Br 516837825 LVYRMSNEQYMZIZ-MRXNPFEDSA-N 450.336 5.861 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(OCc2ccccc2C#N)c1 517758509 CWPVFNILTCNPOA-UHFFFAOYSA-N 486.959 5.893 30 20 JKED Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1NC(=O)c1ccccc1F 519027476 LHTPZRWZDFUFMH-UHFFFAOYSA-N 465.484 6.303 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 519913539 DHDPLVRLKBCVBF-UHFFFAOYSA-N 454.357 6.302 30 20 JKED C[C@H](c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1)N1CCOCC1 521503781 KGMDDILSCCKFOE-HXUWFJFHSA-N 457.599 5.496 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H]3CCSc4ccc(Cl)cc43)c2)cc1 521524344 JVGDUCYOFBHSCT-QHCPKHFHSA-N 492.000 5.277 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 521735004 JRPRNNJUOBEVOK-INIZCTEOSA-N 453.589 5.069 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc(C)nc21 522489032 HIHQSMVGWJHASQ-GUYCJALGSA-N 484.412 6.631 30 20 JKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 524138298 JHIFENULGNERRM-NRFANRHFSA-N 493.563 6.092 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 524572554 GDFNJFSBFJNHKH-QFIPXVFZSA-N 485.613 5.357 30 20 JKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588951767 GDQYLFMZWQIOOD-IAZYJMLFSA-N 490.326 5.786 30 20 JKED C[C@@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCC2 598881521 BARDQPLXJOARGK-SNVBAGLBSA-N 495.413 5.497 30 20 JKED C[C@H](c1ccccc1)n1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccccc1 603840741 OIAVLXMBPRTVNL-YKSBVNFPSA-N 470.598 5.152 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1Cl 604207320 BXAXBYOVLKIKCL-DENIHFKCSA-N 498.970 5.481 30 20 JKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 604519240 VXNRIMDXXZBXMJ-NEKDWFFYSA-N 499.636 5.529 30 20 JKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(OC)cc1NC(=O)c1ccccc1 608915360 KNQRZPNLFMILFW-UHFFFAOYSA-N 472.545 5.270 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 609079649 FHXNFZCAMAQVFJ-LJQANCHMSA-N 469.950 5.278 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 609091362 GIXPIXMXJWCWQF-UHFFFAOYSA-N 457.374 5.390 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 609208718 HEEDKFYJAHXDJE-HUUCEWRRSA-N 471.401 6.382 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2sc3c(c2c1=O)CCC3 609370906 IALDOFZLPPPGSV-OAHLLOKOSA-N 498.699 5.339 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 609413787 GBJIZGGZWZTSMV-UHFFFAOYSA-N 470.504 5.865 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cc(Br)cn4)cc3)n2)cc1 613318250 SKPLCGRWZFLSBO-IBGZPJMESA-N 463.360 5.557 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)sc2n1 613404388 LKDDYHZDQZQCQO-LLVKDONJSA-N 492.504 5.273 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 619562282 MALMREOXHKKZRT-UHFFFAOYSA-N 484.606 5.266 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3cc(Cl)ccc3n2C)nnc1-c1ccc(Cl)cc1 621606037 MQTWUYFJUOVXQD-UHFFFAOYSA-N 473.389 5.055 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)nc2sc(C)c(C)c2c1=O 639385786 GGXKQIAIQZTSNL-LJQANCHMSA-N 473.689 5.024 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cn2cncn2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281331 ABXLXDZRNKKEMG-KRWDZBQOSA-N 454.342 5.247 30 20 JKED O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1cccc(C#Cc2ccccc2)c1 642544178 UNDXLVTVGVGPJW-UHFFFAOYSA-N 455.514 5.116 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)nnc1-c1ccncc1 645072783 CILQJVJLVNCFOW-UONOGXRCSA-N 464.620 5.215 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(SC)cc1 670020943 QDZAYFGQPVUDAD-UHFFFAOYSA-N 461.012 5.149 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(C)C)cc1 726410887 JFPNWCKTDHPDEG-ZEQRLZLVSA-N 477.630 5.070 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)Cc2ccco2)c1 726411841 PAERAFSUEOSIBG-HJPURHCSSA-N 493.535 5.131 30 20 JKED COc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1Cl 726569876 NHEGMVWAJMQEMI-UHFFFAOYSA-O 497.040 5.440 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@@H](c1ccccc1)N1CCOC1=O 728235611 VLWVBACEWNBLJU-VWLOTQADSA-N 457.505 5.123 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(Cl)ccc(C)c2Cl)N(Cc2cc3ccccc3[nH]2)C1=O 728430098 NNGFJHZGBQMNKW-KRWDZBQOSA-N 475.401 5.051 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 728766725 HSJNPMKMNFKIOV-FQEVSTJZSA-N 458.345 5.173 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CCCCC#N)C2=O)cc1 728778701 FKWYSIBVLCWVHS-VWLOTQADSA-N 499.640 5.560 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1 729144584 DSWYDTNIZNRCLI-HXUWFJFHSA-N 482.606 5.314 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3scnc3C)C2=O)c1 729145372 KQVRHLFJFKLWDI-FQEVSTJZSA-N 498.605 5.068 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 729370865 YPNDMNHZJWCWRH-RUZDIDTESA-N 471.557 5.536 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729571820 MMCAUXAVJZQIEA-PXDATVDWSA-N 490.604 5.994 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2nc(C(C)(C)C)cs2)C1=O 729631165 KBMMKWIWABWCQJ-OAHLLOKOSA-N 499.489 5.058 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ncccc3C)C2=O)c1 729633299 CUKHXFKXWUEWBS-XMMPIXPASA-N 483.597 5.039 30 20 JKED CCN(C(C)=O)c1nc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cs1 730436449 PRAZWLVWYVUPNR-JLHYYAGUSA-N 488.432 5.614 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCC3)C2=O)cc1 730463467 XUHHLSSPBSZIFX-OAQYLSRUSA-N 482.993 5.123 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccco1 730520802 PSZWOVWHAZKWGZ-JOCHJYFZSA-N 463.559 5.011 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1csc2ccccc12 730708780 IRPZHUNBSFKBAJ-OAQYLSRUSA-N 487.610 5.160 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2Cl)o1 730716717 YVPYLZVPMJQBAG-PTSWNOGYSA-N 495.992 5.007 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1 730726450 FROCCUAESUKNIB-QHCPKHFHSA-N 488.544 5.436 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OCc3occc3C(=O)O)cc2)cc1Br 730948539 GXHUAFAKEJEBFU-YWEYNIOJSA-N 457.276 5.224 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)C2CCCCC2)c1 731069154 LLVPFKHNZOLRSL-SFHVURJKSA-N 479.602 5.253 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cc3ccccc3[nH]2)cc1 746698057 STAXWYVXIABKNM-VWLOTQADSA-N 498.608 5.015 30 20 JKED O=C1/C(=C\c2ccc3ncccc3c2)CN(Cc2ccccn2)C/C1=C/c1ccc2ncccc2c1 747317465 VYMPLUYUCMYASZ-HXNKFHKOSA-N 468.560 5.730 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2cccc(C)c2)C=C1 749657851 HEWBPFPAEZBKPD-UHFFFAOYSA-O 477.606 5.654 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O 799212916 ZHRVTHQXIURPED-SFHVURJKSA-N 483.487 5.137 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC(F)F)cc1 799219618 VCCUCESIYMSLGQ-OAHLLOKOSA-N 488.343 5.575 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 812394766 XSFBJWUBUXANPF-UHFFFAOYSA-N 472.551 5.952 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cccs3)C2=O)c1 837399713 IGOKLPUVMBPNLF-QFIPXVFZSA-N 495.626 5.234 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(Cl)cc2)cn1 837788587 LBAWCOFJRFLPLY-FQEVSTJZSA-N 498.967 5.043 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@@H](C)c2ccccn2)cc1 837835377 GJVNPEHQIGKLGB-MBSDFSHPSA-N 493.032 6.073 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CCc2ccc(C)o2)C1=O 915116786 PEBRHRAAVRNPRI-JOCHJYFZSA-N 498.004 5.453 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CC2CCC2)C1=O)Nc1ccccc1F 915117038 VYXLEJWMYJGOJG-IBGZPJMESA-N 477.508 5.188 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 915180720 RJKSZNCURHBPII-AREMUKBSSA-N 457.489 5.395 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 915351584 FKJVEJGTFBZULN-AREMUKBSSA-N 458.993 5.782 30 20 JKED Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)o1 915468009 AJMJGDJHJSNOKN-ZDUSSCGKSA-N 455.561 5.098 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(/Cl)c3nnc(C(=O)Nc4ccc(F)cc4)s3)c2)c1 915986872 HKFSJXZNKCTEJO-LPYMAVHISA-N 490.947 6.117 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1Cl 916209285 IPAKZWVSUGULAW-KRWDZBQOSA-N 469.916 5.729 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 916211241 MTSUMPFJTYAXHR-NRFANRHFSA-N 474.026 5.344 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916907703 WSSZCGKOBIAXGN-QHCPKHFHSA-N 497.576 5.891 30 20 JKED N#C[C@@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)Nc1ccc(Cl)cc1Cl 916927664 APORXITULDUFLU-KRWDZBQOSA-N 457.313 5.345 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 916942301 JFCMFPWTZBCPIE-FQEVSTJZSA-N 497.429 5.031 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)nc(O)c2C#N)cc1 917200576 GDKORGZWSSOGRQ-KRWDZBQOSA-N 482.565 5.835 30 20 JKED CC(C)CN(CCC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 917364377 ZQLLCEVJJQHQKB-UHFFFAOYSA-N 488.824 5.459 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 917430462 KUJWESNMYVFQIO-JPYJTQIMSA-N 489.601 5.091 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H]1CCN2CCC[C@H]2C1 917658510 IYBVZYOLEJLPQE-RJGXRXQPSA-N 494.636 5.030 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C)c(C)c1 917659459 ASHLYBCMBBIZQV-DEOSSOPVSA-N 479.646 5.030 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)c1 917664279 MKBWEVUCYWJHRR-QHCPKHFHSA-N 477.561 5.133 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c(C)c1 917674125 NEOFFADYOWEKED-DEOSSOPVSA-N 486.572 5.475 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2ccccc2c1 917699777 CUTJYILYXVYITI-HSZRJFAPSA-N 461.587 5.063 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccccc1C#N 917703871 CQMZRLWKXKOWAZ-QFIPXVFZSA-N 464.591 5.107 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 917712718 GXMFKTZOLWZMTE-UUOWRZLLSA-N 490.604 6.066 30 20 JKED C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 919191144 CTSGKYALLPDEJM-QGZVFWFLSA-N 477.448 5.018 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c(F)c1 919910422 UGDINFVLTLDAKH-UHFFFAOYSA-N 458.493 5.046 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 920111316 LYUWQPVQEMAPEF-AFMDSPMNSA-N 451.526 5.612 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)c(Cl)c2)s1 920171912 DDHKXSIDPNUQLB-XIKOKIGWSA-N 466.003 5.210 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)C4CCN(C(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785807775 PRQVXTLZOOJTCF-FQEVSTJZSA-N 495.664 5.370 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1786373820 OKNAIMVZPCBABL-INIZCTEOSA-N 478.486 5.112 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1786395841 KXRKPBFCTVOQKE-IRLDBZIGSA-N 491.698 5.014 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=C(C)CC3)CCC2)cc1 1786546268 NGWDUGLHSOBSGO-OFNKIYASSA-N 481.637 5.336 30 20 JKED C=CCCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4sc(C)nc4C)cc3)CCC2)c(O)n1 1787333840 NJOAFTAEHZMRNS-UHFFFAOYSA-N 476.602 5.041 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4noc5ccccc45)cc3)CCC2)c1Cl 1788171429 MQULJWQCGLLUOD-UHFFFAOYSA-N 484.943 5.343 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)c1 1789370236 ZXMHUTKDGYTIIE-KRWDZBQOSA-N 468.582 5.918 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CNc4ccccc4O3)cc2)CCC1 1789470178 PRGUXBDTFYVPIT-QHCPKHFHSA-N 459.590 5.152 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)ccn4)cc3)CCC2)c1 1789827824 JYCWGWUXLUUQGQ-UHFFFAOYSA-N 464.447 5.034 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(Cl)n3)cc2)CCC1 1789908838 UTUFNNKSMYDRKH-UHFFFAOYSA-N 495.366 5.087 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)CCC3)cc2)c1 1790256308 YVQFFURTVLGBLZ-RZDMPUFOSA-N 490.607 5.684 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1790512562 GYCHALFXTHTASZ-UHFFFAOYSA-N 489.597 5.067 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(F)c(C#N)c5)cc4)CCC3)cc2n1 1790520710 HQRVHACVNNKJSW-UHFFFAOYSA-N 482.515 5.137 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CCC2)cc1 1790564265 UTZQJXANLJBQES-TYCQWZJGSA-N 469.532 5.003 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791252479 RAGOUODFUJDWCO-DENIHFKCSA-N 469.626 5.122 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791422840 NCDWGULGNKPEJJ-AJTFRIOCSA-N 481.637 5.124 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1 1791948087 UOMNLPRIZQLLPN-QHCPKHFHSA-N 495.620 5.124 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c(O)c1OC 1792126964 OZNIYPUZSGOWBU-GOSISDBHSA-N 499.567 5.098 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2ccccc2)c1 1799548537 SIXGLJXTELLEGD-QEIWAGNOSA-N 479.580 5.235 30 20 JKED CCc1c(Br)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2 1800636623 IUBZRMBZXHTKLT-DVWBAYGPSA-N 494.433 5.204 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)ccc1F)C2)c1ccc(Cl)cc1 1801552089 KLUAZSMCKPQICW-OOICKAIWSA-N 467.972 5.042 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(F)c3s1)C2)c1ccc(O)cc1 1802415500 GXRBAHZIUJESMT-UVUJQTEASA-N 490.600 5.195 30 20 JKED C[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1)c1ccc(Cl)cc1 1805195013 SJLNTVCIXRRPMH-SFHVURJKSA-N 484.427 5.514 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)C1 1806014594 UGCRDIMPNGZTHD-UHFFFAOYSA-N 489.616 5.256 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1806060879 KJAVQGITJNJHLD-JOCHJYFZSA-N 475.054 5.399 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(Br)cc3F)C2)CC1 1806495695 YZHJTSKHBCAVNW-FNORWQNLSA-N 499.371 5.044 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)C1 1806676675 CLMFFUKDVJQFDJ-UHFFFAOYSA-N 469.478 5.076 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1809340334 FWFLKVUVOAMZGN-RQTOMXEWSA-N 474.630 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1809549658 RXYJCXGOSBZVDI-RVFVQDDPSA-N 480.052 5.537 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1809787653 NMPWVMUGMRTTAT-OTPAQWSUSA-N 463.647 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1810177288 DMRNSRVMBXFLFC-IMSXRSKXSA-N 451.998 5.131 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1 1810299639 JKHQYBMEFWOBKZ-UHFFFAOYSA-N 479.024 5.063 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC2CCCC2)[C@@H]1c1cccnc1)c1ccccc1 1810447044 RMIHLDOZJCOLNO-HPUNYJORSA-N 471.645 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1810503948 SYGVXODKTSZVEH-SQJMNOBHSA-N 491.035 5.595 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1810962780 PYRSBHVFCVRZMR-WZONZLPQSA-N 491.941 5.267 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c1Cl 1811421415 PZQOFGIMQUZIIL-PGRDOPGGSA-N 490.972 5.048 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c(Cl)c1 1811752600 QLRMVZWIMUKHMX-AJTFRIOCSA-N 499.014 5.119 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2CCCC3)[C@@H]1c1cccnc1 1813876750 QVFSPCWWRNBSRE-SQHAQQRYSA-N 457.618 5.048 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1813937717 JBUKRNIIDUAZTN-HTAPYJJXSA-N 475.967 5.325 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3SCc3ccccc3)[nH]n2)C1 1814397329 XKDVQBSUEASNDQ-HSZRJFAPSA-N 487.629 5.369 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)cc1Cl 1814570187 SOWJWWRLWMPLSL-GOSISDBHSA-N 492.407 5.359 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccccc2OC)n[nH]1 1815009585 HMBQJXXFKGGFBW-OAQYLSRUSA-N 452.599 5.036 30 20 JKED CC1(C)CCc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)c2O1 1817940945 ATGSDZQZVYIKGV-DEOSSOPVSA-N 497.599 5.199 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1819303962 UTMDDPAJBNZJPP-XUZZJYLKSA-N 475.568 5.618 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1819556009 OEDDUGGCVBKFJY-FYYLOGMGSA-N 486.060 5.351 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(Br)cc2C)n[nH]1 1820315574 HPAFEYKNXQQWCO-CYBMUJFWSA-N 487.370 5.059 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)n[nH]2)CCC1 1821048926 UNSBVTRKPXBQQO-HSZRJFAPSA-N 469.545 5.202 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821148824 JMIUXZQDOSGMAC-QFIPXVFZSA-N 450.583 5.087 30 20 JKED C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1)Oc1ccccc1 1821785750 MHWRQVFUHKPXAO-DFIYOIEZSA-N 485.588 5.200 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1)C(F)(F)F 1821993555 GWLIXPFWZBKBGR-SFHVURJKSA-N 477.874 5.036 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1823215643 YUFRVDJWHKDSLU-QLPRGREVSA-N 493.567 5.802 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccccc3F)CC2)n[nH]1 1823446784 AQJGHSRODYWUDA-GCJKJVERSA-N 450.558 5.041 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603410 DMYGZGWIMBRZDO-CJFMBICVSA-N 489.620 5.297 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1823812734 PGMWQQVEGABMTE-MUUNZHRXSA-N 492.623 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1824048062 WUTIAPAQGWCKOS-BYXVTNLJSA-N 452.639 5.187 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824226039 HDDDEHAGXFUYND-SANMLTNESA-N 479.665 5.331 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1824499789 NGAOOXCVTGOJEA-MHZLTWQESA-N 491.676 5.122 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@H](S)C(C)C)CC3)cc2n1 1824538687 RUIBIIPSGPYVKT-DNQXCXABSA-N 488.097 5.384 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1C 1824803790 WIHIPLPNGWXTFR-SANMLTNESA-N 496.768 5.217 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)CC1 1826679279 YTSGGJPLVGHVHF-QNAFOZIXSA-N 482.068 5.537 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)c(F)c3)CC2)C1 1827357314 YRAHEDOFHXUZMK-VWLOTQADSA-N 479.571 5.226 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1 1827407571 MQLUQYXNHRDZCD-QHCPKHFHSA-N 475.614 5.232 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 1828827026 QMTONTWJRPLNAY-PZJWPPBQSA-N 464.437 5.390 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1828830960 QBWLOAYNFRPTQC-VWNXMTODSA-N 481.587 5.515 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1829452086 SQPVUZYTPKRLSZ-FQEVSTJZSA-N 490.456 5.403 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1829957187 CEKSTNGLVZHWNS-YMPZKCBVSA-N 475.555 5.160 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cccc1C(F)(F)F 1829957206 DMOSFHCVLFKCNG-DEOSSOPVSA-N 483.534 5.433 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)CC1 1830557576 RGYARIBVAJHNQZ-FQEVSTJZSA-N 499.902 5.255 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)cc1 1830572888 HJOGDNIVBBNHDF-HSZRJFAPSA-N 467.972 5.092 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1831370648 NWEMIMUHTVKYOK-HTAPYJJXSA-N 486.454 5.376 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccc(O)cc1 1831925565 AVFKBUVEEVQLSL-SQHAQQRYSA-N 498.623 5.569 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc12 1832632834 WQPZSWRACBBNGP-KMRXNPHXSA-N 482.628 5.651 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)CC1 1832669844 BSQINKNUDUDLLR-DEOSSOPVSA-N 459.030 5.350 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832704013 BZEIBJDHXNWISF-SANMLTNESA-N 491.607 5.340 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1838277209 QDWKSGGHHOYRAW-DQEYMECFSA-N 487.084 5.435 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1838374012 ZHOFHYWENOMQBY-QFIPXVFZSA-N 485.024 5.467 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)N(CC)CC)CC2)CC1 1838424643 SIAFQLCWYKCGLI-MHZLTWQESA-N 497.724 5.061 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2ccc(CC)cc2)c1C 10173618 ZPDPEQNYMNKOJQ-UHFFFAOYSA-O 478.638 5.271 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(CO)c2)c1 10179242 XTVURJBAAXROGG-UHFFFAOYSA-O 460.406 5.441 30 20 JKED CCOc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2)cc1 10240123 NMGIGGJFOWOETJ-GOSISDBHSA-N 469.570 5.324 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1cccc(Cl)c1C 11257567 VUVXQWYMNAHZLW-UHFFFAOYSA-O 467.998 5.320 30 20 JKED CC[C@@H](C)n1c(SCc2ccccc2C#N)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 11416497 OBTMDMKXWMIGRL-GOSISDBHSA-N 483.663 5.111 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccc(C(C)(C)C)cc1 14871769 WVQPLEYEHSRVBU-UHFFFAOYSA-O 496.494 6.647 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccc(N(C)C)cc2)cc1 15248415 WHNQBTXWFIGHIX-UHFFFAOYSA-O 467.058 5.924 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)nnc1-c1ccccc1 16696708 GKFXRUJTRQFOBW-UHFFFAOYSA-N 470.602 5.034 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nc2sc3c(c2c1=O)CCCC3 17652923 OCSVTXPXKSUWKY-HNNXBMFYSA-N 464.616 5.735 30 20 JKED N#CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)c1ccccc1 23422403 CEJQTXCCAMPMGH-UHFFFAOYSA-N 478.643 5.101 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc2c(c1)CCCC2 28811020 WZFPDETWBCDMCZ-UHFFFAOYSA-O 474.606 5.683 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32289341 XZLXCDBCKBPBPN-UHFFFAOYSA-N 470.960 5.905 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(Cl)s2)c1 32502690 XWGSYPNGMNEGIS-UHFFFAOYSA-N 495.453 5.708 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nc2scc(-c3cccs3)c2c1=O 43765740 FEHCKZDDYASJHM-UHFFFAOYSA-N 478.624 6.023 30 20 JKED O=c1c(Cl)c(NCc2ccc(F)cc2C(F)(F)F)cnn1-c1ccc(C(F)(F)F)cn1 71954312 MSBQIODHWWDVIU-UHFFFAOYSA-N 466.744 5.070 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1-c1ccccc1F 195569579 OFGIJZCWLVURAD-ZDUSSCGKSA-N 495.630 6.150 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 303201108 OHAHUODVPDIZBB-UHFFFAOYSA-N 493.485 5.844 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)c2C#N)C1 487392177 ZKSYISQUKIJQER-INIZCTEOSA-N 478.643 5.661 30 20 JKED C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1c(F)cccc1F 496804395 UBHYQTICQOOILC-SNVBAGLBSA-N 463.328 5.679 30 20 JKED CC(C)Oc1ccc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c(F)c1 499590591 MGUKRJLBTNBPSF-UHFFFAOYSA-N 469.353 5.747 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCN(c2nc3ccccc3o2)CC1 501783203 XUTCYYPUSUXSCX-UHFFFAOYSA-N 472.358 5.161 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C 502637389 TWXPTMYUJNZEJF-UHFFFAOYSA-N 474.374 5.353 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2CN2CCOCC2)cc1Cl 510024019 PFVUXSLEUQIKAD-VWLOTQADSA-N 474.992 5.149 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)s2)cc1 510235242 IMOCHJWFJIGUQE-QGZVFWFLSA-N 478.628 5.681 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1-c1ccncc1 510307696 NRJJDYBADMBUAV-SFHVURJKSA-N 462.406 5.588 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC(C)C 511319528 LFUQOJLJQNZMNJ-HXUWFJFHSA-N 473.573 6.010 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 512521834 KRBBECOKIZTBBC-QGZVFWFLSA-N 464.566 5.443 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2Cl)cc1 512608887 AHBSCCBVUPNYPK-UHFFFAOYSA-N 450.897 5.830 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)nc2sc3c(c2c1=O)CCC3 514291172 RHZILEBCMPCVAK-UHFFFAOYSA-N 481.565 5.088 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1nc2c(s1)CCCC2 515609031 SJNNMEZONYAXHG-UHFFFAOYSA-N 462.600 5.536 30 20 JKED CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2s1 515852888 JZBBHNIPGHSFRV-UHFFFAOYSA-N 460.515 5.331 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCSc2ccccc2)cc1Cl 515898404 OKBICNNPPLAFCO-QFIPXVFZSA-N 463.990 5.233 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3cscn3)n2)cc1 516270430 YSPMKAVSJFXYJI-IBGZPJMESA-N 463.609 6.058 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 516289791 NVCXJKUBMQHOGG-UHFFFAOYSA-N 498.489 5.177 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(OCC(F)(F)F)cc1 516345595 YKGBBTTYCMADAM-INIZCTEOSA-N 483.446 5.108 30 20 JKED CC(C)Cn1c(SCC(=O)N(C)c2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 516821042 IFFWSPXBDNMKTL-UHFFFAOYSA-N 474.417 5.535 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)cc1Cl 517163600 MDXRQMZGUMNELV-ZCYQVOJMSA-N 472.976 5.473 30 20 JKED Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 517821557 RXMUNJOQZGNNGB-OAQYLSRUSA-N 471.904 5.556 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(c2ccccc2C)C(C)C)c1 517933759 GSAPQBQUCRDDQY-UHFFFAOYSA-N 483.033 6.085 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Oc4cccnc4)cc3)s2)c(C(F)(F)F)c1 517971081 KJFQSBVKXFSCCG-UHFFFAOYSA-N 480.471 6.064 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)cc1 518169101 GDWJJGOXPQTEDD-UHFFFAOYSA-N 473.598 5.008 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(OCc2cccnc2)cc1 518256589 HHRWBDGBDVPRBE-FQEVSTJZSA-N 464.525 6.207 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)c1 518703609 UMXUIDMHKOBXLD-UHFFFAOYSA-N 452.495 5.654 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4ccccc4)cc3C(F)(F)F)CC2)cc1 520048372 IZQVXUQWFDAUIN-UHFFFAOYSA-N 494.517 6.109 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 520514468 JTZIAFKWUDNQTM-XMMPIXPASA-N 454.961 6.109 30 20 JKED CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cc1 520827498 HMUOBTMMBOABBI-SFHVURJKSA-N 495.626 5.390 30 20 JKED CC(C)COC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1 523244799 GZHLYAYGXLZOCQ-JTHBVZDNSA-N 479.964 5.057 30 20 JKED CCC[C@@H](C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 523280431 VZLPOBGISMOGHS-HNNXBMFYSA-N 460.390 5.142 30 20 JKED C=CCN(C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)c1nc(-c2ccccc2)cs1 524345428 XPZVJBNHHCGDJC-UHFFFAOYSA-N 495.651 5.099 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)no1 524392330 CADIFOLFCHNCSI-UHFFFAOYSA-N 470.554 5.682 30 20 JKED COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OCCOc1cccc(Br)c1 524680646 MMLDDEVUIHDEOE-GOSISDBHSA-N 481.390 5.638 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1 559852430 QRJDWJGKWXLXOW-VWLOTQADSA-N 483.568 5.018 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 561179070 YMDFEQGOOQQXJF-ZDUSSCGKSA-N 471.932 6.121 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 567073030 XJYWFEOQBHPFNW-UHFFFAOYSA-N 460.946 5.587 30 20 JKED CS(=O)(=O)Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccccc12 588348890 FGLWEUGHGZZLFN-ZDUSSCGKSA-N 478.473 5.096 30 20 JKED N#C[C@@H](C(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 595869788 UOAQAPJCJCCZRO-IBGZPJMESA-N 466.971 5.414 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC2 603658152 PRYVUNJWYPLPAS-SANMLTNESA-N 455.558 5.685 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(SCc4cn5ccccc5n4)cc3)cn2)cc1 603764925 QZBSWKATAPUDFM-UHFFFAOYSA-N 477.549 5.938 30 20 JKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 603774396 VXGRODQYOFORPY-UHFFFAOYSA-N 461.521 5.950 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 603831551 WBSFZIALRIUNAL-NRFANRHFSA-N 466.541 5.884 30 20 JKED Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1NC(=O)c1ccc(Br)cc1 603972269 ASEBOHYALCROAA-UHFFFAOYSA-N 492.373 5.945 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(-c2n[nH]c3c2CCCC3)c1 604240630 FSCJTZORGFGQPF-UHFFFAOYSA-N 495.377 5.006 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 604504409 RLVJKWHWZPZBCA-AREMUKBSSA-N 482.584 5.038 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 604562210 PIAACYCSDZBQPU-AJTFRIOCSA-N 471.557 5.991 30 20 JKED O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 608871233 WESHRHPTKMIRNH-UHFFFAOYSA-N 462.281 5.210 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1C 608882292 FLAFBXSRJPVSPK-UHFFFAOYSA-N 480.450 5.402 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 608883146 ZDIWUGXIIKUWCF-UHFFFAOYSA-N 479.334 5.031 30 20 JKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 609058855 QSZINYAYEOWVOF-UHFFFAOYSA-N 485.927 5.913 30 20 JKED CCC(CC)(NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)c(Cl)c1 609150475 PRFGESZCDFIRTE-UHFFFAOYSA-N 460.409 5.244 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)cc2Cl)cc1 609207251 LZDMSSNSSSHYNM-UHFFFAOYSA-N 489.963 5.822 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 609376485 AWGPAIUYQVDJLS-KRWDZBQOSA-N 457.530 6.652 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 609427807 NJRMYISKHZQNDH-AWEZNQCLSA-N 466.613 5.219 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)n(-c2cccc(F)c2)c1C 611169080 DTQLYGBHWXGFHF-MRXNPFEDSA-N 489.576 5.565 30 20 JKED CCCCN1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 612894861 SNIZPGQSPGFYKA-IBGZPJMESA-N 463.946 5.350 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)s2)cc1OC 613319547 GPIKTDFVRUYOSE-KRWDZBQOSA-N 496.013 6.403 30 20 JKED N#C[C@@H](C(=O)c1occc1COc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347250 XVYMYHHVXQZSKR-SFHVURJKSA-N 469.349 6.779 30 20 JKED COc1cc(CCC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 624083161 WARKWZCYRMBJAE-STQMWFEESA-N 481.355 5.158 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(OC)ccc1OC 726396442 JNZFYNINJQFAAZ-GOSISDBHSA-N 496.416 5.381 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)C2=C(C)/C(=C(/O)OCC)N=C2C)[n+]2ccccc2CC)c1 726572960 SDUFZVRHTXVTJY-UHFFFAOYSA-O 474.606 5.239 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(CCCCC#N)C2=O)cc1 728778723 UWGIGDXMYXYGLI-JOCHJYFZSA-N 464.591 5.048 30 20 JKED COc1ccc2oc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4)n3)c(C)c2c1 729149264 CRQWZIROAUWFHI-UXBLZVDNSA-N 450.491 5.926 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 729561599 CXENVFPUIZEOAI-SFHVURJKSA-N 450.539 5.119 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 730666841 GWHFIQCOQQGBNV-UHFFFAOYSA-N 499.011 5.654 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3cccnc3)C2=O)cc1 730942174 HFUANBGKTBVTKQ-MHECFPHRSA-N 486.597 5.314 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944184 SDFQNOZPEZPMGN-YADARESESA-N 488.613 5.429 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1 730944205 SQJQEPQRASUTCA-BTYIYWSLSA-N 466.513 5.081 30 20 JKED C#CCOc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 730983066 SZYYFFNDQCNCHS-UHFFFAOYSA-N 482.508 5.283 30 20 JKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 731059964 ATZFYCWYTJEMJS-FQEVSTJZSA-N 486.593 5.724 30 20 JKED Cc1cc(Br)ccc1SCC(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731063850 SJVYJYHIUHWBQD-OAHLLOKOSA-N 493.448 5.426 30 20 JKED Cc1ccc(C)n1-c1sccc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731064869 SBFDXKGBZBCMPW-KRWDZBQOSA-N 453.589 5.345 30 20 JKED COc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2cccc(OC)c2)cc1 731156316 OMPRGWKSOXSDKX-UHFFFAOYSA-N 458.543 5.146 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)cc1F 731310133 BAYIWSSOFXDPGD-JOCHJYFZSA-N 481.524 5.139 30 20 JKED C=CCN(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747544170 GWXSFIXSVBUQEW-IBGZPJMESA-N 459.354 5.938 30 20 JKED COc1cc2c(cc1NC(=O)N1CCC(C(=O)Nc3cccc(C#N)c3)CC1)oc1ccccc12 749261832 KGCIGHGMTGXICA-UHFFFAOYSA-N 468.513 5.349 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccccc2F)c1 837349644 OSASPDDGFRPCCJ-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@@H](C)c2ccccn2)c1 837381253 FRCZMIORKCKWOD-JTSKRJEESA-N 489.557 5.020 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837659669 GCDPXBVQVBKKRU-HXOBKFHXSA-N 494.567 5.698 30 20 JKED CC[C@@H](C)N1C(=O)N[C@@H](c2cccc(C#N)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839946750 BEVLZOQXXWNLPI-SZNDQCEHSA-N 456.468 5.355 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 914546946 UAALGDGZDOCBTB-GBXCKJPGSA-N 472.614 5.098 30 20 JKED Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 914955553 LGYJSOPRVQXMIY-UHFFFAOYSA-N 489.915 5.402 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CCC)ccc1Cl 915097555 PFHIEUMOJRTFJJ-INIZCTEOSA-N 452.979 5.121 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 915100245 NICMHBKUPJDNDI-QRWLVFNGSA-N 453.976 5.451 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(SC)cc2)ccc1OCC(=O)Nc1ccccc1Cl 916133387 KRZIWVCMHVOSIA-QPEQYQDCSA-N 467.974 5.984 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CCc3ccccn3)C2=O)c1 916217041 CJUJBMOZGULSEM-XMMPIXPASA-N 486.641 5.518 30 20 JKED CCCC(=O)Nc1ccc(O)c(C(C)=NNc2ncnc3scc(-c4ccc(OC)cc4)c23)c1 916357174 CTDYLSKILUZSIJ-UHFFFAOYSA-N 475.574 5.647 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1 916708311 SYKNTOPBVFDGAF-ZEQRLZLVSA-N 460.375 6.474 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)nc2ccccc21 916843301 BEYFETQSUBPTLR-GOSISDBHSA-N 454.580 5.965 30 20 JKED N#C[C@H](C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3)c1ccc2ccccc2n1 916848597 FKSIXGSKCUWEMG-KRWDZBQOSA-N 474.611 5.324 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccccc2Br)cc1 916883756 OMTAHLIRHDBBCB-IBGZPJMESA-N 483.749 5.643 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(OCc2ccccc2)cc1 916888043 TXAXWBWPKFOXPN-NRFANRHFSA-N 452.482 5.541 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 916900996 WEANCKSTVWOZDG-OAQYLSRUSA-N 456.571 5.481 30 20 JKED CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)C2=O 916977469 RXSOGEDPMSOYGM-AUDXORNHSA-N 499.036 5.167 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 917506494 ZQGJBCGYGSFDMJ-QFIPXVFZSA-N 499.542 5.620 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)N[C@H](C)c1ccccc1 917610301 PYSPHMBMSMKWOA-HXUWFJFHSA-O 474.650 5.505 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccsc1 917665325 WCLPZSNMDUZBNF-HXUWFJFHSA-N 471.554 5.495 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2C)n1 917670510 YXCFASZITKRKML-HSZRJFAPSA-N 458.587 5.167 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(Cc2ccc(Br)cc2)C(C)C)c1=S 919953972 QZASYEDUKQNZRE-UHFFFAOYSA-N 458.429 5.293 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2cccc(Cl)c2)c1 920109269 NMKTXPLRCSENIT-DEOSSOPVSA-N 460.961 6.005 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 920869081 MYYMUQBWJJOJRD-KUHUBIRLSA-N 480.417 5.236 30 20 JKED Cn1c(COc2ccc(Cl)cc2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 921189015 YRDVVDUWUOQMFI-UHFFFAOYSA-N 481.931 5.077 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)COCC(F)(F)F)C2=O)cc1 921255029 WLCKEYCBFWWXGU-HNAYVOBHSA-N 497.514 5.062 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1F 929080994 MRNRQSYIBTWGBI-UHFFFAOYSA-N 453.477 5.266 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC(F)(F)C4)cc3)CCC2)cc(C(F)(F)F)c1 1785805415 YCSFLHNMDBTLRR-MRXNPFEDSA-N 491.460 5.760 30 20 JKED CO[C@@H](C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1)c1ccccc1 1786041321 NKKISBTUNUUIDE-HHHXNRCGSA-N 467.569 5.013 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)CCC2)cc1 1786366253 WCEDKBYTDXINOO-VGOFMYFVSA-N 487.600 5.307 30 20 JKED Cn1c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)ccc1C(F)(F)F 1788846941 LWIFDRFVCLUCNG-UHFFFAOYSA-N 484.453 5.116 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4nccs4)CCC3)cc2)cc(C(F)(F)F)c1 1790785374 LGFVCAIIZSKSFI-UHFFFAOYSA-N 470.476 5.095 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4onc5ccccc45)cc3)CCC2)cc1 1790903506 CCVGLLUXYTYNCY-UHFFFAOYSA-N 464.525 5.080 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4onc5ccccc45)cc3)CCC2)c1 1790906861 BTUTYAPXLMONQJ-UHFFFAOYSA-N 450.498 5.069 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc4nccn34)cc2)CCC1)c1ccccc1 1790914289 YQAYNDWMVQBDIJ-VWLOTQADSA-N 476.580 5.279 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnn5c4)cc3)CCC2)cc1C#N 1790925950 NWCQKUVAKNNLJI-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)cnc4s3)cc2)CCC1 1790987500 QSZNMWNQEJIZQA-UHFFFAOYSA-N 470.392 5.383 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)CCC2)cc1 1791730618 NSISECCQYUJFEN-UHFFFAOYSA-N 482.506 5.294 30 20 JKED Cc1cc(C)cc(CCC(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)c1 1791735916 VSLYBAKYXGZRHR-RDRPBHBLSA-N 457.574 5.082 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=C(C)CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204478 AVAJYYZIOHEJMR-QPPBQGQZSA-N 495.664 5.726 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C)c4ccccc34)[C@H]2C1 1792345708 ABYPNAQVDNSURG-YGPDHOBYSA-N 476.661 5.053 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc(CC)cc1 1796871880 ZTSXVTAWIADCQI-BNFFBFCJSA-N 497.680 5.055 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1C#N 1797879312 PKCFGJVANKFQAT-AKINCWLHSA-N 477.649 5.204 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Br)ccc1Cl)C2 1798593486 ONDWEVMVMZLHBG-REPLKXPHSA-N 481.862 5.276 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cccc(Br)c2n1 1800916420 YOXLAQIZNPRYLX-REPLKXPHSA-N 484.438 5.242 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](CCC)CC1)c1ccc(O)cc1 1801813770 XNAMYELYJKLBHX-JUZNDPKTSA-N 464.650 5.134 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)[C@@H]2c2cccnc2)C1 1802417653 NQFWHEPDNAHLQE-YIXXDRMTSA-N 469.560 5.174 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1803082193 OUXSNOSMPAFICT-LMSSTIIKSA-N 467.613 5.252 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](c2ccc(F)cc2)C(C)C)C3)cc1C#N 1803846096 ZGGBXKZXPSHNBR-SFIUMABJSA-N 491.607 5.176 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)C4CCC(C(F)(F)F)CC4)C3)CC2)c(Cl)c1 1806471798 NGHNNYRNWDZDOC-UHFFFAOYSA-N 495.973 5.425 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1809205076 CAGYCSUAAGUJJH-NBGIEHNGSA-N 491.035 5.595 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC=C(C)C)[C@@H]1c1cccnc1)c1ccccc1 1810444484 PWSKSYBTHMHTKW-UNCTUWKVSA-N 457.618 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1811207620 RDNWKBMICXYEEK-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1811411775 ALWYCASQLVDPAS-AMGIVPHBSA-N 473.661 5.410 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)oc2ccccc12 1811747029 YNEKHSPMFJIWOM-NLFFAJNJSA-N 498.970 5.295 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1811953682 XHRKYCDOPNHRHQ-WHSBFGAESA-N 479.596 5.096 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1812233929 DDICTZDPYNWTRF-CPJSRVTESA-N 477.008 5.304 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1)C(F)(F)F 1812683345 NGOCFQKUVNVDKP-RDGATRHJSA-N 493.529 5.495 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c1 1813836860 BEIOSZSEAGPLIV-YADARESESA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c1 1813863121 FYFYJWFKBJAFIU-SAQVGAHLSA-N 490.966 5.135 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)[nH]n1 1814443331 SNTKNYOWXKNZCI-QHCPKHFHSA-N 499.619 5.351 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cc4ccccc4n3C)n[nH]2)c1 1814726399 NYPBCFTWMSJAPH-SIBVEZHUSA-N 494.599 5.077 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)c1 1814739819 HYCMULYJUOKPOR-NRFANRHFSA-N 497.933 5.152 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1814824119 LHIKOHUWXZCHPQ-AHWVRZQESA-N 489.664 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)cnc2C)n[nH]1 1816118223 KVBYVLPKFOLNOQ-IBGZPJMESA-N 488.430 5.174 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c1 1817828163 KGOBFMDOSLJTGO-QRWLVFNGSA-N 473.558 5.464 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)[nH]n1 1819311047 JIOZNPCSNUWVIO-UPVQGACJSA-N 462.594 5.273 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)n[nH]1 1819412172 CDLIAYZUWHWNLQ-KHTATMCVSA-N 462.619 5.058 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1F 1820224084 ZSNONFGZLRFEJC-FQEVSTJZSA-N 483.906 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](C)Oc2ccccc2)n[nH]1 1821783725 DGBRXKNFIFCIRJ-KNQAVFIVSA-N 452.599 5.252 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)[nH]n1 1821984427 WJSYKOAIJRGQQV-KBXCAEBGSA-N 450.917 5.070 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccsc3)[nH]n2)c1 1823213450 XREDPBRBZRWQQJ-HTAPYJJXSA-N 461.591 5.037 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1ccc(F)c(C(F)(F)F)c1 1823298385 KJAYXWWUFRWGIS-OAHLLOKOSA-N 480.384 5.216 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)cc1 1823683110 JRKFSOLSGYPZLE-HSZRJFAPSA-N 475.614 5.232 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)cc1 1823683657 QOLCTNSMBKDWQX-RUZDIDTESA-N 486.641 5.034 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1823812239 PUUUPPXEOXLHDL-VWLOTQADSA-N 490.003 5.434 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c1 1824053280 NWQAZUHPNNLLTF-VWLOTQADSA-N 486.641 5.034 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCNc2ccc(C)cc2C)CC1 1824142181 HHZCCCGWNUNFBZ-MHZLTWQESA-N 465.682 5.494 30 20 JKED O=C(c1ccc(Oc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824413638 SDPPMFQVYGCZBZ-MHZLTWQESA-N 456.586 5.126 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827733036 YXQWNUFBIVIDJP-WMZHIEFXSA-N 485.024 5.424 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827779260 PHKURXUZJSNUHY-AVRDEDQJSA-N 467.576 5.533 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828168516 CCMDQYOZSFKHFT-QFQXNSOFSA-N 461.650 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 1828823389 FXIOEESMJCUFAE-RXVVDRJESA-N 464.437 5.390 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1828825091 TTYVLYMYUBRIQO-WIOPSUGQSA-N 468.041 5.823 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(Cl)n2)CC1 1828826855 NTFZOWVPLVRLQJ-PZJWPPBQSA-N 464.437 5.390 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1828903780 GBKLTQWLWCCMFO-QHCPKHFHSA-N 489.683 5.304 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F 1829410125 GSBZTYQHPUKJLR-INIZCTEOSA-N 497.867 5.106 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)c1 1829573999 RZVMVAOHCHGCRO-DEOSSOPVSA-N 495.583 5.175 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccsc3)CC2)c1Cl 1829689014 XXINXWQPISFTOD-JOCHJYFZSA-N 470.038 5.139 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829706663 UNDWUYKRKNMBHR-MHECFPHRSA-N 454.611 5.044 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)c[nH]2)cc1 1830012624 QBAAUIVNPAUZLT-NDEPHWFRSA-N 480.612 5.409 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)cc1 1830016089 ANEKBDYZZMAKRY-AREMUKBSSA-N 487.003 5.307 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1830413455 BFGPSMGQMSRPMA-AVRDEDQJSA-N 498.590 5.122 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1830533931 JROYIZFUAKIWOI-GOSISDBHSA-N 494.451 5.420 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830663590 PYMVZBOVXXVUSE-JTSKRJEESA-N 465.009 5.323 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1830770117 JSRWKEXVHHAAPE-MXOIOMGLSA-N 485.628 5.212 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c1 1830770616 DEINWDRGIOIRAR-NRFANRHFSA-N 456.011 5.129 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c(F)c1 1830773958 VLKZJNUUVWEELV-SANMLTNESA-N 477.580 5.032 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1831369531 CNBWPESMWUHAGC-YKSBVNFPSA-N 452.639 5.236 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1831852478 MOPBVERQIXGHLE-MHZLTWQESA-N 458.602 5.516 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1)c1ccc(O)cc1 1831926013 SCEMWVAVQRIDNT-IRPSRAIASA-N 497.639 5.304 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)Cc3ccco3)CC2)cc1C#N 1832283522 GBJKCOWEZSMSFB-HFZDXXHNSA-N 491.632 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccsc3)CC2)c1 1832633284 APSJLIMSWNMMFE-DMGXODIQSA-N 461.631 5.322 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1 1838112996 SFLLERNEIQXMNW-IBGZPJMESA-N 485.024 5.424 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)CC1 1838423878 LEJDRUMWRRBUPW-UHFFFAOYSA-N 484.681 5.469 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2 1844253398 BFIMZJCZZNSYNS-UHFFFAOYSA-N 487.676 5.296 30 20 JKED N#CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2)c1ccccc1 8629094 ITGNTKJBECBPKD-DYTRJAOYSA-N 489.531 5.141 30 20 JKED C=CCn1c(C)cc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1C 9413473 KVRHDQIVGSYSKJ-UHFFFAOYSA-N 456.999 5.425 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10753768 QMWJLZCKNFYOIZ-UHFFFAOYSA-O 496.842 7.077 30 20 JKED COc1ccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4F)n3)ccc2c1 15188050 PTOSYTGELBWQDT-JXMROGBWSA-N 464.493 6.164 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccc(OC)cc1 16864977 GMGOGAYKFDYCEC-CQSZACIVSA-N 473.396 5.022 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccsc2)nnc1-c1ccc(Cl)cc1Cl 19014615 LQSWWRBDYPJDHD-UHFFFAOYSA-N 453.420 5.250 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)n(C2CCCC2)c1C 21487700 MKNXGAMMUXPATC-UHFFFAOYSA-N 485.613 5.223 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 21668371 DKCPUATUIRYXPT-HNNXBMFYSA-N 460.962 5.263 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)s1 22800296 QFLVVPZGDDPDRP-UHFFFAOYSA-O 462.035 6.485 30 20 JKED C=CCNc1nnc(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)s1 23485901 PHDRZZYSMOVFHI-DYVFJYSZSA-N 474.011 5.241 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccc(Br)cc1 24639452 VBLNGJXFBRCRDU-AWEZNQCLSA-N 485.407 5.216 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2cc(-c3ccccc3)sc2c1=O 26620481 LUGVPRHJZQQGFB-CQSZACIVSA-N 478.624 6.276 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C)ccc1Cl 28494394 FHNVQPLBERQHRI-INIZCTEOSA-N 467.418 5.389 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 32785796 OVNYHLZHWFWSCN-KRWDZBQOSA-N 491.642 5.306 30 20 JKED N#Cc1c(NC(=O)CCN2CCC(c3nc4ccccc4s3)CC2)sc2c1CCCC2 36321335 NEFLKWIFFIMFOY-UHFFFAOYSA-N 450.633 5.316 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(C)no2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 68728989 QXBMSHWILHRPHY-UHFFFAOYSA-N 497.584 5.077 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 116553124 SIZSGVPPROPRBS-UHFFFAOYSA-N 467.481 5.765 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2cc(Cl)ccc2s1 195664268 MOLFWARJOAUCGR-HIFRSBDPSA-N 492.815 5.985 30 20 JKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cs2)c(C)c1 195735392 LUTRORASXDTMCA-MRXNPFEDSA-N 460.584 5.094 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCN(c2ccccc2C#N)CC1 302970849 GHNRSLJGDNDQGN-GOSISDBHSA-N 481.021 5.227 30 20 JKED N#C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1cccc(Cl)c1Cl 303425193 ZKKCXMSOZHGSNL-GOSISDBHSA-N 498.395 5.366 30 20 JKED COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)cc1OCCCC#N 493913153 UOILCGBKCQMDKN-DEOSSOPVSA-N 465.912 5.941 30 20 JKED C=CCn1c(SCC(=O)NCCc2cc(F)cc(F)c2)nnc1-c1ccc(Cl)cc1Cl 500314861 JOQSZEUWHIOAFR-UHFFFAOYSA-N 483.371 5.167 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 500751905 DJPOXXFPQKJXGQ-QFIPXVFZSA-N 471.532 5.218 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(F)cc3I)c2)cc1 501469224 VEDLLIMMVBSFCN-UHFFFAOYSA-N 486.284 5.328 30 20 JKED C=CCn1c(SC[C@@H](O)COc2ccccc2Cl)nnc1-c1ccc(Br)cc1 508374375 DMMLRRIHPNZCEY-INIZCTEOSA-N 480.815 5.079 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 508933420 MQEZCZWDSAYOTB-UHFFFAOYSA-N 480.612 5.238 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCOCC2)cc1 510842347 OZJKPWYVYNNBJV-UHFFFAOYSA-N 471.557 5.538 30 20 JKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 511602790 CNBUTXVGGWHRLU-UHFFFAOYSA-N 485.927 5.913 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 514425579 ZXZBWRRLDKOGIS-UHFFFAOYSA-N 480.572 5.992 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nc2sccc2c1=O 514955600 VTLIRZUBWWAUER-KRWDZBQOSA-N 461.612 5.354 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc12 515542193 ICFVBSBETNYEHO-KRWDZBQOSA-N 479.487 5.829 30 20 JKED Cc1cc(NC(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)n(CCC#N)n1 520112326 YTAVTZLEWZVLAW-UHFFFAOYSA-N 471.373 5.579 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c(C)c2c1 520537703 HJYLZQZBYCBRSM-AREMUKBSSA-N 466.537 5.837 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 521266053 SMDNYAMPIPVYIG-UHFFFAOYSA-N 482.334 5.254 30 20 JKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521739692 ZDGHMGWMRREUAG-ZDUSSCGKSA-N 469.916 5.523 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccccc1S[C@H](C)CC#N 521811949 ZYUWNRFHWKQYJD-RBUKOAKNSA-N 465.623 5.220 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 522380337 ROGDVHDZDGJGKU-UHFFFAOYSA-N 459.546 5.339 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccco2)nc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 522393980 LUKBCPWMLXAZFV-UHFFFAOYSA-N 479.583 5.010 30 20 JKED C[C@H](Sc1ncccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)N1CCCC1 522474157 HLZHZJOPURKZBA-GOEBONIOSA-N 498.580 5.076 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 524382590 KXBCOKITVMOLSA-UHFFFAOYSA-N 474.817 5.082 30 20 JKED COc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1OCCC(C)C 603449238 FZIFJHJXMUAIPQ-UHFFFAOYSA-N 468.604 5.388 30 20 JKED Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1NC(=O)c1ccco1 603449554 IPUWCARUMWISMJ-UHFFFAOYSA-N 475.555 5.108 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)nc(O)c2c1C 603765091 SYVNZUITZPMXDP-OAHLLOKOSA-N 491.598 5.333 30 20 JKED CCN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)[C@H](C)c1ccc(C#N)cc1 603782668 FIQAJGUWCRRFOA-MRXNPFEDSA-N 450.336 5.731 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)cc1 603822172 LOYJMQDMGVEGAI-ROUUACIJSA-N 499.455 6.363 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 604003668 RJGTWKOLCPHBLI-NRFANRHFSA-N 482.609 5.796 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604456682 AHWMKCQFVLVUBK-HSZRJFAPSA-N 475.932 5.256 30 20 JKED CCC[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 604506003 YXYHJVHHRYZKIB-GOSISDBHSA-N 462.381 5.103 30 20 JKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 608805503 ZQAFKGRUGXYBRP-IBGZPJMESA-N 497.526 5.542 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(Cc3c(F)cccc3Cl)o2)c1 608929741 OENQDRQSOAWCAD-UHFFFAOYSA-N 458.946 5.109 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)o2)cc1 609061203 VMRPUBWCLGYUBT-UHFFFAOYSA-N 467.525 5.681 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 609068322 GVMFLCWMYZDEEA-UHFFFAOYSA-N 477.586 5.231 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 609209105 YAONSGBBAQDBIF-QHCPKHFHSA-N 457.921 5.649 30 20 JKED N#Cc1ccc(CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c(F)c1 609229664 HXXUOHPXKUVGCY-ODLFYWEKSA-N 472.501 5.462 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3SC[C@H](C)C#N)[C@H](c3ccco3)C2)cc1 609384674 GPAIJVYGDZSRJS-JPYJTQIMSA-N 474.586 5.330 30 20 JKED CC(=O)N(c1nc(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cs1)c1ccccc1F 618498281 YBDNXDJKEOIAHB-BETUJISGSA-N 469.426 5.530 30 20 JKED CSc1ncc(Cl)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 642281680 OTZDGACNEPHTEA-SNVBAGLBSA-N 455.779 5.772 30 20 JKED C[C@@H](OC(=O)c1csc(-c2c(F)cccc2F)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 726217693 ASNAAIKESMNVSW-GFCCVEGCSA-N 487.553 5.474 30 20 JKED CC(C)(C)OC(=O)N1CCC(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 726264171 SDIYWNSFRXCSFA-UHFFFAOYSA-N 480.584 5.056 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)cc2)c1 726396829 LRNUGPHHNWPSQU-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(F)c(Cl)c1 726402681 XBBZKYBPSXUROO-MGPUTAFESA-N 477.989 5.173 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CCOC(C)(C)C)C2=O)cc1 726407678 UYAIMNXNNIGREP-NRFANRHFSA-N 499.036 5.296 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)cc1 727650660 PTXKJXBNCUJHPA-RUZDIDTESA-N 498.608 5.312 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728271351 ZKHBTGWEWCAQFW-LJQANCHMSA-N 454.574 5.541 30 20 JKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 728668399 UTZIKJWKUIJQON-LLVKDONJSA-N 476.357 5.230 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(F)cc1 728776409 BNRBRCFWJTUMTG-LJQANCHMSA-N 493.391 5.787 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)c1 728778897 VMUADNOEAYWUQN-OAQYLSRUSA-N 469.010 5.611 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 728779351 YSNRAIZQGZZYJH-LJQANCHMSA-N 476.936 5.272 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)n2)cc1 729186303 IGFFRGCTUNFPRP-QUCCMNQESA-N 468.003 5.164 30 20 JKED C=C1CCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(Cl)cc2Cl)CC1 731052378 NHZKKNPFRVENIU-UHFFFAOYSA-N 459.782 5.240 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 731081208 ZXUKGNZXGQPJIK-ZIAGYGMSSA-N 467.374 5.337 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 743524291 IYDKINXQJAXZEY-AOMKIAJQSA-N 480.540 5.390 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(Br)cc2F)c1 744762028 UUEOXZFQIUXUFD-UHFFFAOYSA-N 463.376 5.361 30 20 JKED CCOc1c(Br)cc(Br)cc1C=NNc1oc(C(C)C)nc1C#N 745612059 MGKXKFDRNGBYFO-UHFFFAOYSA-N 456.138 5.039 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cc3ccccc3[nH]2)C1=O)NC1CC1 746697632 IJARTMOETUXHFI-FQEVSTJZSA-N 487.412 5.275 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 747398861 HLZLRWNQFSKLGY-UHFFFAOYSA-N 483.496 5.151 30 20 JKED COc1ccc(-c2nc(CSc3nc(O)c(C#N)c(-c4ccc(OC)cc4)n3)cs2)cc1 824952829 FCLJXOXZAUHYBZ-UHFFFAOYSA-N 462.556 5.154 30 20 JKED Sc1nnc([C@H]2COc3ccccc3O2)n1N=Cc1ccc(-c2ccccc2Cl)s1 874065876 BRTBHVCJUQCCDI-GOSISDBHSA-N 454.964 5.343 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCC2=CCCCC2)c1 913118561 XPOSVHIWYWPBAG-DEOSSOPVSA-N 490.629 5.496 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1cc(Cl)ccc1OCc1cccnc1 914692321 PHCBTIAYGFRYJZ-UHFFFAOYSA-N 486.871 5.006 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)cc1C 914955188 BSDBUQSTGGZQFV-UHFFFAOYSA-N 493.947 5.214 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNC(=S)Nc2ccc(Cl)c(Cl)c2)cs1 915925931 DNMSHGJANRANOD-UHFFFAOYSA-N 464.403 5.455 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(OC)c1 916205305 FLVWMSOJNKISJK-FQEVSTJZSA-N 475.998 5.118 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccn3)C2=O)cc1Cl 916211598 DOJLJWUEPSCLPR-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccccn3)C2=O)cc1 916214411 NOPNKZWLCPZJAG-QFIPXVFZSA-N 495.004 5.294 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(C[C@@H]3CCCO3)C2=O)c1 916217164 GUMZGDWXBJVPCO-UNMCSNQZSA-N 465.619 5.060 30 20 JKED COc1ccc(C(=O)Nc2cccc(C=Nn3c(S)nnc3-c3ccccc3Cl)c2)cc1 916277162 VLIYTGGHXOIBRD-UHFFFAOYSA-N 463.950 5.030 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C=Nn1c(S)nnc1Cc1cccc2ccccc12 916278727 RYWLLJOFPPTKJI-UHFFFAOYSA-N 473.005 5.400 30 20 JKED CCOc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)ccc1OCCOc1ccc(C)cc1 916310652 BPTCPRJAOVJHKB-UHFFFAOYSA-N 477.586 5.122 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cn(Cc3ccccc3)c3ccccc23)cc1OC 916326591 ZTJZAKCOQNQQMK-UHFFFAOYSA-N 469.570 5.136 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)cc1 916847076 KYXXPVNLVNLBTK-KRWDZBQOSA-N 458.543 5.048 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(Br)ccc1F)C(=O)Nc1ccccc1Oc1ccccc1 916905065 LRZKXLCQPZOTTO-QTJNJRLBSA-N 479.305 5.741 30 20 JKED CC(C)(C)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 916905068 LSCCINCMSOCFNA-IBGZPJMESA-N 457.486 5.646 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 916955959 WCJVOXKTCSIEDR-YWZLYKJASA-N 477.586 5.610 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)c(OC)c1 917030666 MGNIVKKEWMGIIH-UHFFFAOYSA-N 496.596 5.045 30 20 JKED N#C[C@@H](C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1nc2ccccc2n1C(F)F 917039777 DAHGITKKJAZCOO-CVDCTZTESA-N 455.468 5.615 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 917041158 QGPQNWXPNXGGLY-KRWDZBQOSA-N 466.517 5.104 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Br 917042405 BSJCYBCTTBEHTJ-CYBMUJFWSA-N 483.309 5.895 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Br)cc1Cl)c1nc2cc(Cl)ccc2s1 917043624 LCNASVMOCRRNHT-NSHDSACASA-N 456.148 5.621 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNc1nc2ccccc2c(=O)n1CCCOC(C)C 917541465 GLXOSVHEQRKKMK-UHFFFAOYSA-N 493.011 5.114 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(Oc3ccccc3)cc2)cs1 917562875 LNMBIYQQDVEFQK-WJDWOHSUSA-N 458.514 6.655 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2cccc(O)c2)C=C1 917611912 NZMOJYNHLMDVPL-UHFFFAOYSA-O 490.649 6.020 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)c1 917675214 HJSMFXPVFGVKFE-DEOSSOPVSA-N 489.597 5.002 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 917716727 WSKDTBNWZBHPFW-UHFFFAOYSA-N 464.597 5.167 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)CSCc2ccc(C#N)cc2)cs1 919207184 OHPOABWVYREUSL-UHFFFAOYSA-N 471.991 5.329 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CSc3ccc(Br)cc3C2=O)cs1 920069393 PJAMDKJERMUWQU-MDWZMJQESA-N 489.391 6.101 30 20 JKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 920113124 PYXJKMFNXVLDPG-CQSZACIVSA-N 450.308 5.553 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c1 920356747 USTQITUJYOMIDT-JOCHJYFZSA-N 480.565 5.208 30 20 JKED COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 920456711 CLSWQXJIRWTFDU-RUZDIDTESA-N 491.547 5.864 30 20 JKED Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)Nc1ccccc1Cl 920484117 GGUNHZFUWLIBOJ-UHFFFAOYSA-O 497.040 5.761 30 20 JKED Cc1ccccc1-n1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2c1CCC2 920875242 SQQIVEWPVQFIET-QFIPXVFZSA-N 476.536 5.423 30 20 JKED O=C(C/N=C\c1cc(Br)cc(Br)c1O)Nc1cc(Cl)ccc1Cl 920944586 PKWBIDBLQWBPLF-IOXNKQMXSA-N 480.971 5.282 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(Cl)cc1C)C2 1779274226 OOWKDEHPLLUQFX-YBGOQADZSA-N 479.448 5.198 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Br)nc3)CCC2)cc1 1786103315 PYDWTCSNJHLOMN-UHFFFAOYSA-N 482.422 5.289 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)c(C(F)(F)F)o1 1787398627 YVUUTKSIBMNHOH-UHFFFAOYSA-N 467.447 5.540 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cncn3-c3ccc(Cl)cc3F)cc2)CCC1 1788690151 DXUNPPOQHBSGGC-UHFFFAOYSA-N 499.011 5.332 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5s4)cc3)CCC2)cc1 1788971472 UHQUGVDAXTVWDP-UHFFFAOYSA-N 452.539 5.229 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)c(Cl)c4)cc3)CCC2)c1 1789739314 FENNOCDCWNEPDK-UHFFFAOYSA-N 465.340 5.322 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4F)cc3)CCC2)c(C#N)c1 1790071114 HWWWQUGKYPTKOT-UHFFFAOYSA-N 496.542 5.178 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1790509684 NTBGCWAREXGKSM-UHFFFAOYSA-N 489.547 5.078 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3C(F)(F)F)CCC2)cc1 1790566539 WIQASLDXFZOHLS-MRXNPFEDSA-N 461.484 5.254 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c(C)n1 1791770624 AMNCZHPQOLCCSQ-FYWRMAATSA-N 487.625 5.266 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)CC[C@H]3CCOC3)cc2)CCC1)c1ccccc1 1792021978 CMRPWJYLZCXPIU-NVQXNPDNSA-N 458.602 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1792123215 NTUOBEYBOIBZQI-NCUBBLFSSA-N 484.512 5.276 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@]3(C)CC3(F)F)cc2)CCC1)c1ccc(O)cc1 1792247324 AARWZEJHEOHYKA-DFBJGRDBSA-N 466.528 5.069 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cn(-c4ccccc4)c4ncccc34)CCC2)cc1 1792264466 XPVVCMXKSQNJHI-UHFFFAOYSA-N 462.553 5.187 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(Br)cc1F 1793945570 STOPRHMDXYLVDL-LGMYYNHISA-N 475.402 5.008 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cccc(F)c3s2)c(Cl)c1 1797447491 VWPRJKBTXMEQAC-BJWYYQGGSA-N 467.953 5.131 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ccccc3c2Cl)cc1 1797462865 IAPHACMIRHWTOL-REPLKXPHSA-N 463.990 5.186 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1c[nH]c2ccc(F)cc12)c1ccccc1 1802090815 MTCCPHCTAYPNLH-XDZVQPMWSA-N 485.603 5.075 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(F)F)cc2F)[C@@H]1c1cccnc1 1802495878 NQAQJUDSJOMUIF-PGRDOPGGSA-N 489.538 5.134 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1803091958 HEPRRTVOBWIYMU-JPYJTQIMSA-N 490.406 5.616 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ncc(Cl)cc4Cl)C3)CC2)c1Cl 1804743808 VIWIPLCUYZCWFP-UHFFFAOYSA-N 491.806 5.072 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)cnc3Cl)CC2)C1 1804862098 HHEQNFCAAJEKBO-UHFFFAOYSA-N 496.877 5.335 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1)c1ccccc1 1804865747 ADNNJCXAECROBZ-MPYJOUPCSA-N 496.655 5.224 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808160557 VZOKPVICMGOKJR-RXFWQSSRSA-N 477.008 5.038 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)cc2c1 1809150047 GGFJRDUYRYYKPN-RXFWQSSRSA-N 497.986 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)c1 1809625103 NPLKHOSJSZSPFU-IMDOCFNESA-N 498.671 5.635 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4cc(F)ccc4s3)[C@H]2c2cccnc2)c1 1809848974 QJJHUPGGNYVCSD-FQRUVTKNSA-N 498.583 5.249 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c[nH]1 1810274564 KNMNOHFNUGSCKN-NVQXNPDNSA-N 492.740 5.078 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C)c2F)[C@H]1c1cccnc1)c1ccccc1 1810441713 WIXCJYPZDOSQJU-VBOOUTDYSA-N 483.587 5.046 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5ccoc5s4)C3)CC2)c1Cl 1810508470 LPXDJENDYFXTNU-UHFFFAOYSA-N 467.978 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811273280 ONIAONNJUMLELK-MKYKQAKUSA-N 496.655 5.577 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3[nH]c(C)cc3c2)[C@@H]1c1cccnc1 1812277290 KKNNLGINXGVTMN-DHLKQENFSA-N 458.606 5.183 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1)C(F)(F)F 1812515029 SQTQJCSDDNAESM-FCEUIQTBSA-N 493.957 5.299 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2cccc(Cl)c2)n[nH]1 1814665867 DMUNHEACMHFWGW-HXUWFJFHSA-N 458.990 5.127 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1815206680 RCOBHICLPMGPGT-HNNXBMFYSA-N 471.410 5.067 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)[nH]n1 1815206744 CPBRSYULUJLGNM-SFHVURJKSA-N 458.628 5.057 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[nH]n1 1815656171 JRLIRUZAEQOGEZ-OXQOHEQNSA-N 494.583 5.230 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1815657053 WIEDXWCCWHKUEP-HSZRJFAPSA-N 477.634 5.042 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnn(C(C)(C)C)c2Cl)n[nH]1 1816196875 FEHRSOUOOPIVNW-LJQANCHMSA-N 473.021 5.089 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(OC)ccc2OC)n[nH]1 1817065980 RORGIVSYYMQXAB-QFIPXVFZSA-N 482.625 5.044 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cc(F)cc(F)c2)n[nH]1 1817765083 AMOPQTMNPRGXGJ-ZHRRBRCNSA-N 479.531 5.268 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606759 DXXDTTBMRBXGOJ-WMLDXEAASA-N 488.013 5.385 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N(C)C)c3ccccc23)n[nH]1 1818609347 KZNZZPACUYJKAN-JOCHJYFZSA-N 481.547 5.146 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224663 IVAOQRSBNUDFEP-KRWDZBQOSA-N 461.900 5.062 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)[nH]n1 1819300687 HEGAGMIDWQXXJB-CRAIPNDOSA-N 462.381 5.186 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)n1 1819384467 NAABKDQMEBFEDQ-HXUWFJFHSA-N 485.730 5.347 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)[nH]c12 1819385336 RLTFFEDHVCFEPF-QHCPKHFHSA-N 489.696 5.556 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cccc3ncccc23)[nH]n1 1819552956 LEEJFATWGRIHFJ-HSZRJFAPSA-N 459.594 5.185 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3ccc(F)cc3)n[nH]2)cc1 1820315865 BEBTVIDABZPWKI-DEOSSOPVSA-N 494.530 5.102 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)S)[nH]n2)cc1Cl 1821338809 AFHHPFDHUQUNLV-YVEFUNNKSA-N 485.437 5.128 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2ccc(OC)cc2)n[nH]1 1821746079 FGJFJGDQGTZXDV-VSRFVYNTSA-N 462.594 5.282 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1)C(F)(F)F 1821989042 QOTSEPRGHSYRKZ-HXUWFJFHSA-N 471.483 5.138 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1822581199 GEMCPGRNOLLVKM-JOCHJYFZSA-N 485.613 5.672 30 20 JKED CC(C)C1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)CCC1 1823066507 DGEDJICGWUSCJX-HXUWFJFHSA-N 453.974 5.067 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3C(C)(C)C)[nH]n2)c1 1823212239 MVKSEUMIJJPHFM-FDDCHVKYSA-N 484.604 5.349 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3OC(F)F)[nH]n2)c1 1823216394 TWYWWUDSXINTQL-IERDGZPVSA-N 493.514 5.258 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823312151 FPXNBFIRQVGZPU-WMZOPIPTSA-N 499.862 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1824140032 VOHGMKLJUVHOSH-NRFANRHFSA-N 495.998 5.338 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1824141615 XTPGUWXZTSMCNT-VWLOTQADSA-N 475.633 5.652 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1824143884 UHFYUCBZOAYCDS-JOCHJYFZSA-N 469.029 5.218 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)c1 1824236520 OKIGDVPRLLJRQQ-OASJLCFRSA-N 491.582 5.182 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1)c1ccccc1 1824329274 IUMINWIQEWGECE-CLJLJLNGSA-N 484.631 5.629 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824989171 ANIKIICSASVDKO-JOCHJYFZSA-N 482.999 5.330 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1)C(F)(F)F 1825424162 HUUMFCFUFXJIDY-HSZRJFAPSA-N 473.539 5.342 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3)CC2)cc(C(F)(F)F)c1 1826369524 PTGVGGIMIBMHLV-RUZDIDTESA-N 497.561 5.443 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)n1cccc1 1827632705 NKBINDZYJCAHSL-LOSJGSFVSA-N 481.040 5.288 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(OCC(C)C)c2)CC1 1827701409 PRSHESKNJZHHQV-DEOSSOPVSA-N 469.670 5.342 30 20 JKED O=C(CCCC(F)(F)F)N[C@H]1CCc2nc(NC(=O)c3cc(F)ccc3C(F)(F)F)sc2C1 1827864900 XJAVZRIPJAHVMF-NSHDSACASA-N 497.436 5.259 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828294072 PJVBYQYBMQXOLO-PXDATVDWSA-N 468.041 5.823 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)CC1 1828779884 XAAXIDRXXNIKCF-SJLPKXTDSA-N 456.624 5.060 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C(F)(F)F)CC1 1828823274 QQBCNHRFPUAJDZ-ROUUACIJSA-N 469.573 5.164 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4occc4n3-c3ccccc3)CC2)CCC1 1829572799 GWKDQUFEGAMEPO-HSZRJFAPSA-N 484.600 5.151 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1829670866 BMIGNRLBAKOYNU-MHZLTWQESA-N 486.591 5.045 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1 1830064205 KYAIGTPBHIYCJN-SANMLTNESA-N 473.617 5.201 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1830100156 XWQILXOTFMESRE-NDEPHWFRSA-N 487.644 5.213 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471915 QHADFHJCBGCBBH-AUSIDOKSSA-N 492.060 5.161 30 20 JKED O=C(c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601923 MITPZHSDOBUTLW-HHHXNRCGSA-N 466.581 5.227 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)cc1 1830633824 ZPJWJYVHUALPCB-NDEPHWFRSA-N 485.628 5.089 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)c[nH]c2c1 1830720982 QXQGGFYUDSJXPC-NRTJEHLZSA-N 498.602 5.434 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831239599 ILMDLKPEROIHND-DHIUTWEWSA-N 495.491 5.119 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 1831374931 VUWFEGWSEKIJDJ-OXQOHEQNSA-N 465.407 5.034 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 1831442503 VBMNJUYEXRASDU-IBGZPJMESA-N 487.360 5.033 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1)C(F)(F)F 1831451231 OZNJPURBFLSLTC-HXUWFJFHSA-N 494.941 5.952 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1C#N 1831481691 FUIRUNMYSJWQJN-WFHOOFKDSA-N 491.676 5.405 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCc3ccccc3O2)CC1 1831810447 JVPRZPHTMFELSV-AHKZPQOWSA-N 494.752 5.051 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1832355170 DEBOLIQGCWATDY-NPZBNXROSA-N 476.646 5.025 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)c1Cl 1832563647 DZJXSWVKWHBYHL-FEGPCZTRSA-N 490.431 5.247 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1832830044 XAGAXXGYJQCJIB-AREMUKBSSA-N 460.618 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)C1 1843152421 SZKWMKPUEJZXAL-UHFFFAOYSA-N 466.622 5.449 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174079 YQSZJQXWEUPXQI-UHFFFAOYSA-O 490.483 5.394 30 20 JKED CCCc1ccc(-c2nc(/N=C(\O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])sc2C)cc1 10963868 KYVSJHONOGIJHH-UHFFFAOYSA-N 477.489 6.226 30 20 JKED CCOc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccc(Br)cc2)cc1 15233008 UXGYNELZMAKOEU-INIZCTEOSA-N 482.407 5.631 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nc2sc(C)c(C)c2c1=O 18330919 OBOFGGPPRPFXBJ-CYBMUJFWSA-N 496.639 5.672 30 20 JKED CC(C)c1ccc(CSc2nnc(SCC(=O)Nc3ccccc3SCC#N)s2)cc1 22532744 YACNFPMMUBPPCB-UHFFFAOYSA-N 486.713 6.300 30 20 JKED N#Cc1cccc(NC(=O)CCSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c1 26231913 JEYWUZBVNBRMGA-UHFFFAOYSA-N 457.534 5.125 30 20 JKED C=CCN(C(=O)Cn1cnc2sccc2c1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769965 HIAUQESWWVCHPU-UHFFFAOYSA-N 477.398 5.108 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)CC1 31808094 PPGRSUYVYWSJBX-UHFFFAOYSA-N 481.484 5.063 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12 32785758 FJUVLWWINVUYFO-PMACEKPBSA-N 456.615 5.566 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)n(-c2ccc(F)cc2)c1C 45668512 ULNOFKLAKQNQGZ-UHFFFAOYSA-N 494.983 5.285 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CCc1ccccc1)c1nc2ccccc2s1 106035499 IQDPVGINFVDGJN-UHFFFAOYSA-N 480.597 5.036 30 20 JKED Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cnn1-c1ccc(F)cc1 214109707 ZCGBWAJSRRSAJP-ZROIWOOFSA-N 459.908 6.122 30 20 JKED Cc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)sc2nc3n(c(=O)c12)CCCCC3 303122117 AJQZTOWSWNWXRV-QFIPXVFZSA-N 498.608 5.067 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1Cn1cccn1 303200231 OBRQVRJRFUKIJS-UHFFFAOYSA-N 451.530 5.012 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C)c1nc2c(s1)CCCC2 498346345 QYPLJJMNVJNMFP-UHFFFAOYSA-N 486.066 5.431 30 20 JKED O=C(CS(=O)(=O)Cc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 498606647 OZYIVVBZYKFFAN-UHFFFAOYSA-N 477.785 5.070 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)o1 499043737 VNMWBOULRNFECO-UHFFFAOYSA-N 494.334 5.499 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1c(C)nn(CC(C)C)c1C 500123055 QJJIMXLJGFXPEE-UHFFFAOYSA-N 450.396 5.205 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 502675795 AXIOOQNLAPNRJK-UHFFFAOYSA-N 462.363 5.194 30 20 JKED CC(C)(C)OC(=O)c1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccccc1 503572321 NMBRPDIOSMJMOS-MRXNPFEDSA-N 478.961 5.581 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)cc1 503577859 BOFTYXDTNRGLGG-HXUWFJFHSA-N 466.522 5.430 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(Oc3ccccc3)nc2)c1 503797195 WFBCUTOCRDNGNK-UHFFFAOYSA-N 494.576 5.406 30 20 JKED CC[C@H](C)n1c(SCC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)nnc1-c1ccccc1 504279213 GCDQAKSHMOSHHU-FQEVSTJZSA-N 461.635 5.565 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 505207239 MOLSBLCBZSKQHK-UHFFFAOYSA-N 490.542 5.237 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 505522790 FJECCJGUDUCUQX-FQEVSTJZSA-N 484.625 5.208 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)cc1 505618083 GZQNLDFYEOFDMJ-UHFFFAOYSA-N 473.920 5.462 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 506189552 LIDJRDUCRMOAEY-HSZRJFAPSA-N 487.947 5.081 30 20 JKED C=CCn1c(SC[C@H](O)COC(C)C)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 508362053 WORLYNRSJIOMSC-OAQYLSRUSA-N 474.630 5.533 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 509587262 VEEMMOFZMXYTRG-UHFFFAOYSA-N 483.977 5.076 30 20 JKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509855553 QVVYMYNUMMATJL-UHFFFAOYSA-N 456.546 5.051 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510021991 AKTGJUSBLDZATF-OXQOHEQNSA-N 460.990 6.830 30 20 JKED Cc1ccc(NC(=O)c2ccc(N3CCC(Oc4cccc(C#N)c4)CC3)c([N+](=O)[O-])c2)cc1 511401364 YTFKYWAGJDGBSX-UHFFFAOYSA-N 456.502 5.075 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 512993876 RPRKAUXPCRQAPR-INIZCTEOSA-N 467.447 5.494 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COc2c(F)c(F)cc(F)c2F)cs1 514530868 RPUZIBACEIUQJJ-UHFFFAOYSA-N 464.362 5.982 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C 515353795 HQYHQYAJECNSDC-MRXNPFEDSA-N 461.678 5.413 30 20 JKED CC(C)[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(C2CCCCC2)cc1 515763931 DOXTWTAHJWRBNK-SANMLTNESA-N 452.620 5.034 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 516417296 JZSROZANQZMWKZ-QFIPXVFZSA-N 460.921 5.010 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cc(Br)cs2)cc1Cl 517164438 FJEWXVFEUZKXME-GOSISDBHSA-N 488.794 5.074 30 20 JKED C[C@@H]1CCCN(Cc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2)C1 518041789 KIUBTDPTVYGWTL-OAQYLSRUSA-N 498.652 5.773 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)cc1 518516698 SQWIHNVSYNFQFP-DEOSSOPVSA-N 497.601 5.454 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nnn1-c1ccc2ncccc2c1 518732742 OMLRSTKBFPVXIO-UHFFFAOYSA-N 494.942 5.480 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)cc1 519030636 XGNJKSQAEQUMSV-UHFFFAOYSA-N 457.555 5.317 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 520187539 RUZCNADZBHMJKN-KRWDZBQOSA-N 451.573 5.134 30 20 JKED C=CCN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 520937880 KMEIXSKIIWRVFE-ZDUSSCGKSA-N 450.852 5.116 30 20 JKED N#Cc1ccccc1COc1cccc(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 520958895 TVZMXMOCRZDRAF-UHFFFAOYSA-N 471.870 5.142 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCc3ccccc3)nc2)cc1C 521300606 FIDUVJASAODBKD-UHFFFAOYSA-N 451.530 5.307 30 20 JKED Cc1[nH]c2ccc(CNC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2c1C 521335067 HHEVZHFSRXYVBE-UHFFFAOYSA-N 472.932 5.357 30 20 JKED CN(Cc1ccccc1CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CCCCC1 521807636 VHAYJIJBDORKJV-UHFFFAOYSA-N 496.611 5.370 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 521809029 SYUIDKNOCQEPPJ-RTBURBONSA-N 477.630 6.273 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 521811123 UBMLXRBVUOSPTE-YJYMSZOUSA-N 468.381 6.132 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3cc(C)nn3CCC#N)c3c(C)nn(-c4ccccc4)c3n2)cc1 523661229 VMINNQJODPGQCS-UHFFFAOYSA-N 491.555 5.075 30 20 JKED O=C(Nc1cccc(F)c1)C1CCN(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 586792232 WHQVETPDFVBHNC-KBPBESRZSA-N 483.428 5.095 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc1 589810303 MZNNRTIZXJOBTC-QHCPKHFHSA-N 499.533 5.212 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccc(F)cc1 589940963 FXCJSDQSZFSBPL-OAHLLOKOSA-N 481.622 5.449 30 20 JKED O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(COCC(F)(F)C(F)F)c1 590027965 FXLXXCHBHUXXKP-UHFFFAOYSA-N 463.346 5.062 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 603660001 OUPRFMMMDNCRDZ-AWEZNQCLSA-N 471.410 5.374 30 20 JKED N#Cc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)cc1Cl 603728727 WKBMDUQOWYQZTP-UHFFFAOYSA-N 465.296 5.007 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603766000 IJHVXVPRTMUICM-JOCHJYFZSA-N 457.965 5.384 30 20 JKED COc1cccc(/C=C(\CC(=O)Nc2nc(C)c(SCC#N)s2)c2nc3ccccc3s2)c1 603775779 PQXLHFVRUHJXKZ-SFQUDFHCSA-N 492.651 6.255 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 604003615 OUVXYAPPHYWSDS-UHFFFAOYSA-N 479.511 5.975 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1 604098240 PXVRMFZHHLLRNZ-UHFFFAOYSA-N 471.900 5.888 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl 604288829 XHPBVHDWVKKACF-DAYGRLMNSA-N 489.847 6.590 30 20 JKED Cc1sc2ncnc(SCCC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2c1C 604302679 MEAALFDTWGFYNV-UHFFFAOYSA-N 461.572 5.488 30 20 JKED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)cc1 609093600 GSQZOXQBVVEHNI-UHFFFAOYSA-N 490.368 5.230 30 20 JKED Cn1cc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cs2)cn1 613344229 BVPQVJKWYMCPFU-CYBMUJFWSA-N 460.371 5.464 30 20 JKED C=CCn1c(SCc2nc(-c3ccccn3)no2)nc2scc(-c3cccs3)c2c1=O 641975175 NLAXOTJSWIJHON-UHFFFAOYSA-N 465.585 5.110 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCC2CCCC2)cn1 726117963 IAOJINMNQUHBHN-OAQYLSRUSA-N 489.592 5.112 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCCC3)C2=O)c1 726404923 AJRUKYOYCMPQOE-QFIPXVFZSA-N 481.021 5.731 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(C2CCCC2)C1=O 726407796 VPGMCWUZUBVMJN-NRFANRHFSA-N 482.993 5.123 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 727589478 VGSBVJQWSFKUEA-XUZZJYLKSA-N 466.368 6.254 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1F 728426407 UAHIIQSDNUJASC-SBUREZEXSA-N 487.560 5.122 30 20 JKED CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C(C)C)c1 728669618 QOYVRZCQLGVCIC-VWLOTQADSA-N 471.513 5.129 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)ccc21 728767183 WYFFLQPMAJMPNE-DEOSSOPVSA-N 481.552 5.658 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C2CCC2)C1=O 730461958 JDHXNLOSGDPQIU-NRFANRHFSA-N 482.993 5.042 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1 730525450 BVYSALOIJAASPX-LJQANCHMSA-N 461.509 5.391 30 20 JKED CN(CCCNC(=S)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 730954612 FOXNKHNUAQZYBE-UHFFFAOYSA-N 452.571 5.524 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 731074217 LOHPTWRBHGGUGM-CYBMUJFWSA-N 477.464 5.114 30 20 JKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CCC3)cn1 747434761 QMFHTNJIIAZGHN-NBVRZTHBSA-N 453.933 5.737 30 20 JKED C/C(=C\C(=O)O[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(F)(F)F)cc1 748383746 ANVMBLWRMKVHRA-FCZSHJHJSA-N 467.312 5.375 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1nnc2ccc(C(F)(F)F)cn12 762300700 BQOJLEJIVGJGEM-RJRFIUFISA-N 482.306 5.115 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1cn(Cc2ccccc2)nc1-c1cccs1 767312807 BUFLVTRXQNQRIY-UHFFFAOYSA-N 490.386 5.015 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(Cl)c1Cl)[n+]1ccc(C(CC)CC)cc1 802710611 YITOEONYYKFBDU-UHFFFAOYSA-O 450.455 6.561 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N([C@@H](C)c2ccccn2)C1=O 837424280 REJZVYYEBZBKRH-CYFREDJKSA-N 488.613 5.429 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 838090899 KFPXFVBTQBNSMJ-HXOBKFHXSA-N 492.576 5.341 30 20 JKED O=C(c1ccnc(C(F)(F)F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 857487545 HFLQJSNHSFLJPT-CQSZACIVSA-N 472.307 5.352 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)Cc1ccco1 914690236 OBLQHYPZQQZRDW-KSFYIVLOSA-N 481.549 5.019 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914795896 JNMMJKATJAKPOF-VXGBXAGGSA-N 457.821 5.972 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915085394 LKMSAQXSUNANBH-BJKOFHAPSA-N 473.960 5.247 30 20 JKED N#C[C@@H](C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2ccccc2n1C(F)F 915106540 CWVFWZWMTZFPKW-YPDJSWMCSA-N 462.338 5.732 30 20 JKED C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 915763380 BJCAPHDJLDDFCF-VDWGHMIBSA-N 494.639 5.075 30 20 JKED CC(=O)Nc1ccc(O)c(C(C)=NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c1 915947498 WVCIDURSVVIKGP-UHFFFAOYSA-N 465.575 5.143 30 20 JKED C=CCN1C(=S)N[C@@H](c2cccc(OC)c2OC)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916168410 ZYTMGTDPORTQSW-FQEVSTJZSA-N 491.535 5.053 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CC2)C1=O 916209061 DIEZNLOJISBPOF-FQEVSTJZSA-N 457.983 5.252 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccccc2)C1=O 916215004 CIWPVKGQNASIMB-HSZRJFAPSA-N 459.571 5.164 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 916240961 YNZIXAOKQZPMEA-UHFFFAOYSA-N 482.806 5.174 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1Cl 916683968 OOFVPENERUUUDV-DEOSSOPVSA-N 477.033 5.870 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847979 XQRQBUMJSPVCOZ-XHDPSFHLSA-N 488.432 5.395 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 916884815 HOBTZXHPMFORLJ-FQEVSTJZSA-N 496.748 5.316 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1 916897212 VULHWDVNYYKYQZ-FQEVSTJZSA-N 457.580 5.858 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 916911983 OMLXAKYUILFFQE-GOSISDBHSA-N 467.356 5.409 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 916914004 UAVSVFGWSDOZTN-FQEVSTJZSA-N 453.420 5.416 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1OCC 916937800 GOSVUEFESCDIBY-HNNXBMFYSA-N 467.324 5.671 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976044 IHGRXEZQDAPQQF-YJYMSZOUSA-N 455.992 5.779 30 20 JKED COCCOc1ccc(C(=O)/C=C\c2c(C)nn(-c3ccc(Br)cc3)c2C)cc1OC 917146561 QWEWVMBQWJERBA-KHPPLWFESA-N 485.378 5.182 30 20 JKED CC1(C)CC(/C=C\c2ccccn2)=Cc2c1sc(NC(=O)CN1CCC[C@H](c3cc[nH]n3)C1)c2C#N 917173480 BKASSLXDQHCKHY-GWQNQTGSSA-N 498.656 5.334 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(Oc3ccccc3)c(F)c2)cs1 917560651 UIWRSISMAPWJTD-KAMYIIQDSA-N 472.541 6.964 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCN3CCC[C@@H]3C2)C1=O)Nc1cccc2ccccc12 917672118 CCEALBIFHKNKJJ-UMFSSWHCSA-N 498.652 5.427 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)cc1 917679924 XONKEIDDQBDHGU-JOCHJYFZSA-N 494.020 5.161 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccc(C)s2)cc1 917683874 FAZVIAKUSSRWGG-QFIPXVFZSA-N 495.626 5.234 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3ccnc(C)n3)C2=O)cc1 917699698 AREAPVDEVCYYBN-RUZDIDTESA-N 495.608 5.407 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2csc3ccccc23)C1=O 917701274 NJMRMFRKHLNALE-JOCHJYFZSA-N 459.596 5.322 30 20 JKED C=CCc1cc(C(=O)OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc(OC)c1OC 918922086 MLBHQIUAJVUELT-UHFFFAOYSA-N 470.522 5.070 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)n2)cc1 920144238 YYIFFJXQTSNMHG-SFTDATJTSA-N 477.586 5.131 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 920590065 UWSJEHKQQNZPCF-UHFFFAOYSA-N 486.528 5.090 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cnn(-c3ccc(F)cc3)c2C)cs1 920991147 ATCKTGDISASFFQ-KPKJPENVSA-N 464.497 5.496 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)COCC(F)(F)F 921252282 GJTQJJYBTGVXIC-KXBFYZLASA-N 497.514 5.062 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2 1779512738 BMCHYKLRTYAVNK-PDDLMNHVSA-N 474.645 5.474 30 20 JKED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(CCCCC)cc1)C2)C(F)(F)F 1781803784 SWVJYQWZYHRURS-NDTKEOHJSA-N 492.582 5.065 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3Oc3cccc4ccccc34)CCO2)C1 1783113878 JSJAMDIEWWMBEN-CHJDUVSTSA-N 484.596 5.288 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)C[C@@H]21 1784038802 QOZBORAOCCTRPX-WIRXVTQYSA-N 472.629 5.024 30 20 JKED COc1cccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(C#N)cc5)cc4)CCC3)c12 1785882858 WEBKJLKOVDGOFH-UHFFFAOYSA-N 478.552 5.039 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)CCC2)cc1 1786391303 LSQJXLPPZPBNMC-PVBLUSGHSA-N 488.657 5.033 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)CCC#N)CCC4)cc3)n[nH]2)ccc1Cl 1788312492 JRCNEKREUGFNHZ-UHFFFAOYSA-N 461.953 5.090 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4)cc3)CCC2)c1 1788463480 PEZGDDNXNOSJIL-SFHVURJKSA-N 463.541 5.203 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccccc45)cc3)CCC2)c1 1789284017 NJKHJMBMKVCSTA-GOSISDBHSA-N 463.541 5.251 30 20 JKED Cc1nc2sccn2c1C(=O)Nc1ccc(C2(NC(=O)C#Cc3ccc(Cl)cc3)CCC2)cc1 1789374885 DAEZKFXWCGRWEM-UHFFFAOYSA-N 489.000 5.157 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c4nncn4c3)cc2)CCC1 1789480691 OJLFIBFUTVMYSG-UHFFFAOYSA-N 465.985 5.123 30 20 JKED COc1c(Cl)ccnc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790082854 SBVRGKCSGJAVSR-UHFFFAOYSA-N 495.366 5.330 30 20 JKED COc1cc(OC)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c1 1790082891 USEMOUYQZRJPAY-UHFFFAOYSA-N 489.959 5.290 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3csnc3C)CCC2)cc1 1790519849 HORHXGNTPNQXKI-NRFANRHFSA-N 498.649 5.059 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(NC(=O)C5CC5)cc4)cc3)CCC2)c1 1790594341 HZQGEJAOBQGMNE-UHFFFAOYSA-N 496.542 5.107 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(Br)c(F)c3)cc2)CCC1 1791196647 KAKDGHHRTHWRCE-UHFFFAOYSA-N 471.370 5.068 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)Cc4cc(Br)ccc4Cl)cc3)CCC2)CC1 1791198379 HDHLFFWFPZVWHV-UHFFFAOYSA-N 486.797 5.083 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)CCCC4=O)CCC2)cc1 1791298561 BJKHOIUORGDCRL-UHFFFAOYSA-N 452.501 5.165 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)CCC2)cc1)C(F)(F)F 1791302989 GLLDQWYGMMIEKR-RTWAWAEBSA-N 458.480 5.051 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(C)C)CC3)cc2)CCC1 1791375302 ADARAVMRLOYYOA-MEMLXQNLSA-N 454.611 5.092 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cnc5[nH]ccc5c4)cc3)CCC2)c1Cl 1791490503 KCZZUZHHGMLZAU-UHFFFAOYSA-N 497.986 5.468 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3nn(C(=O)OC(C)(C)C)c4ccc(F)cc34)CCC2)cc1 1791589255 PTHDYWRLUQGXFS-UHFFFAOYSA-N 492.551 5.282 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)CCC2)cc1 1791593023 BGTQPHBUTBJZMH-UHFFFAOYSA-N 477.605 5.377 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3occc3n1-c1ccccc1)C2 1793051691 YSVFEEFHSNYDEM-UADZTWIMSA-N 457.574 5.244 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1800494298 JIJXVCXTKNFEGI-NONBHWBCSA-N 484.596 5.048 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@H](F)c1ccccc1 1800505322 ZJMNNFFCIGFCAC-JUDWXZBOSA-N 466.556 5.049 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C3)cc(C(F)(F)F)c1 1800740954 RZYPUIJLZQBVDU-BCDXTJNWSA-N 496.316 5.449 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCC(C)(C)C 1801830799 XMUFPGDXEYFQJB-KAOXLYBCSA-N 491.717 5.481 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1803084616 UEUZDMLAAQBMRA-PXDATVDWSA-N 477.008 5.304 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2cc4ccccc4o2)C3)c1 1803679756 QQXKYDVQLNYTIX-JMXGKTQKSA-N 453.542 5.025 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)CC2)C1 1804858358 CRZQZOFTAMSSQX-UHFFFAOYSA-N 496.627 5.032 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)C2)c1 1805329210 UBVKFCUPQPXHDO-UHFFFAOYSA-N 483.534 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)C2)CC1 1805946016 IJQOXNFCCLANNJ-DNQXCXABSA-N 452.639 5.022 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@H](CNC(=O)CC#N)[C@H]3c3cccnc3)cc2)cc1 1806284384 KTIZRCMYLTUXQS-XRKRLSELSA-N 480.612 5.324 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccnc3s2)[C@H]1c1cccnc1 1809170272 TURNWJYJDIGPFP-RBBKRZOGSA-N 462.619 5.003 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)CCc4ccccc4Cl)C3)CC2)c(Cl)c1 1809359506 HXXGVQOQHKILSB-UHFFFAOYSA-N 484.427 5.343 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1)c1ccccc1 1810443316 GVMYPGIRUBUBFT-XQFUHLNNSA-N 491.591 5.345 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810459499 XZEMADNTBILASB-UPRLRBBYSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(OC)c2)[C@H]1c1cccnc1 1810504119 XGUYWWUDPGPKCV-XXBNENTESA-N 470.013 5.056 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3occc3n2-c2ccccc2)[C@@H]1c1cccnc1 1811277328 ORORAARJPKOEQM-CLHVYKLBSA-N 482.584 5.150 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1811858034 IQEDUNSYBLDDGS-RPLLCQBOSA-N 488.676 5.384 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1)C(F)(F)F 1812681409 WCRPXHWWBGNKQS-MGPUTAFESA-N 493.938 5.388 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1)c1ccccc1 1813565943 UCWRIGMUCGGDAJ-REPIGRLZSA-N 483.656 5.255 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)cc1 1814380403 LPILGJUPKNPTQQ-IBGZPJMESA-N 489.626 5.496 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)cs2)[nH]n1 1814828636 BJGIAAPMJWQYIX-QGZVFWFLSA-N 477.428 5.308 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)[nH]n1 1814830332 XHYUAXQIRUIGFK-HJSOSKBTSA-N 466.557 5.031 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815656360 QMVSDIIFOVTDGE-NRFANRHFSA-N 474.586 5.534 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)n[nH]1 1816942840 PFACCOVOOFYKMT-TZIWHRDSSA-N 474.527 5.432 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(CC(C)C)oc3ccc(OC)cc23)n[nH]1 1817711613 VOUVUWMPGOCRCM-JOCHJYFZSA-N 490.604 5.472 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1817742791 YOACGLQQAQVXDO-VWLOTQADSA-N 490.567 5.272 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1)C(F)(F)F 1818165201 HFCIFGXAYGJCAD-QGZVFWFLSA-N 492.885 5.748 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occc4c3)n[nH]2)c(Cl)c1 1818707853 WPMBWKLPFRUCPN-NRFANRHFSA-N 473.920 5.301 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818867435 CAICDCUHPHTFGZ-FUPPJEDESA-N 473.964 5.044 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818970181 GJKYFYZHNZTGRI-HSZRJFAPSA-N 496.011 5.208 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)cc12 1819055780 KKCWZNIWYLMANK-LPHOPBHVSA-N 483.597 5.100 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1819364224 SASPEZGUKWXBQD-YLJYHZDGSA-N 487.025 5.157 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)n[nH]2)c1 1819415832 RDDCDDQKNXVRIE-GGICOMRCSA-N 497.624 5.231 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccncc3-c3ccccc3)n[nH]2)c1 1820006460 GWCKXJLKTPILTB-SANMLTNESA-N 490.567 5.272 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821089558 LBIGIBZHEQRUCR-SCLBCKFNSA-N 499.921 5.189 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)[nH]n1 1821922096 YTQWWCZSEJPCPV-AUUYWEPGSA-N 484.398 5.172 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1821925237 ONXSMGVJSUHZGF-KUHUBIRLSA-N 462.953 5.119 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)c(Cl)c1 1823186992 ULRWAEKTUYZCKN-OAQYLSRUSA-N 465.916 5.002 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823214483 FTYLURASHQOWIC-DVECYGJZSA-N 487.629 5.443 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1823217724 WXZVCLHBJPJLAB-WAIKUNEKSA-N 486.963 5.182 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(Cl)c2)n[nH]1 1823245178 SLJREBTZSFBOOU-IBGZPJMESA-N 458.990 5.370 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)cc1C#N 1823293750 FFUVHLGFXXOIHR-QESBPKNKSA-N 489.620 5.345 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823309351 OAFUTNWILYXHLH-SFHVURJKSA-N 499.826 5.659 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824503490 CLHHGQNLJXJYNC-OPXMRZJTSA-N 475.073 5.290 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1824544455 OPPGCQKUIXQQPP-HJOGWXRNSA-N 462.675 5.139 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 1824961055 FPHMPVCYMDGVSQ-HXUWFJFHSA-N 499.902 5.255 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(Br)c2C)CC1 1824961131 UUZZFNVHTSETLM-OAQYLSRUSA-N 497.474 5.049 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1)c1ccccc1 1825877440 DJJFBDZSPOGBPM-XNMGPUDCSA-N 460.618 5.327 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1826319178 JHVWQEHHKYSLAV-AREMUKBSSA-N 466.585 5.049 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)c1Cl 1826475812 MZRWCGZSFPDYHD-QHCPKHFHSA-N 484.427 5.341 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826478153 AKXVJEDKUVIVDB-AVRDEDQJSA-N 450.545 5.080 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc4ccoc24)CC3)c1 1827701098 RYNZNZKWIKOHDB-DNVCBOLYSA-N 470.554 5.056 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)CC2)c1 1828047335 DEPCKPAGRKOWED-CCLHPLFOSA-N 468.601 5.342 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1)c1ccc(O)cc1 1828412449 CBRYOXYNZMXGPA-RSXGOPAZSA-N 482.640 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnccc2C(F)(F)F)CC1 1828821744 RXSVXUJMMCWZKB-VWNXMTODSA-N 491.598 5.421 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1828826368 CJYXQHYCTIELBA-LADGPHEKSA-N 489.685 6.156 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1828828223 FRLXSZTUNZPBIR-VPUSJEBWSA-N 471.645 5.750 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(=O)c2ccc(Cl)cc2)CC1 1829068340 QNERYDPWCCKHGX-JOCHJYFZSA-N 459.030 5.135 30 20 JKED CCCCCc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)CC2)cc1 1829778739 RWTLRZHFEDEIMJ-MHZLTWQESA-N 474.649 5.095 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829907953 VFLDHCFIBUHRNE-AREMUKBSSA-N 458.602 5.516 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c1 1829954656 IZDNEQDRUMZARU-KKUQBAQOSA-N 476.020 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830409936 ZREZPFIXBZQMAJ-QIQWJQGCSA-N 489.660 5.578 30 20 JKED CCSc1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720980 QTGZKRMIQTYWDW-HSZRJFAPSA-N 497.064 5.266 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c1Cl 1830970985 HVSGDTFVMLRDJB-QHCPKHFHSA-N 493.032 5.368 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978742 VTRBHLYFWBEXTR-QHCPKHFHSA-N 495.570 5.873 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1831578069 WHOLSOPPJPDENU-FTGODIDHSA-N 457.659 5.315 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1832690951 TWQVRYFMLULBRD-JOCHJYFZSA-N 471.935 5.037 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1832692727 BNVWHWJWXZYOQW-ZEQRLZLVSA-N 468.638 5.014 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)CC1 1838373252 FEVPOMBFPFWCQA-SANMLTNESA-N 482.665 5.245 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(OCCCC(F)(F)F)cc3)C2)c1 1845548273 JZMAWYZOXNGMGP-IBGZPJMESA-N 499.533 5.166 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccccc2CC)c1C 10167682 XQIDNHAMSKUUFW-UHFFFAOYSA-O 464.611 5.017 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1c(C)cccc1C 11153246 OWVDSQYOSMUMQC-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2c(C)cccc2C)cc1 11153827 UOGXEESTSDSGMG-UHFFFAOYSA-O 492.665 5.716 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccoc1C 12056270 XVWBYWZMOCVWHQ-UHFFFAOYSA-N 467.776 5.179 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1)c1ccc(F)cc1F 15187930 JZHJFAJGHCPACK-VQHVLOKHSA-N 452.404 6.021 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O 15231839 OKPTYQGADFWSOM-DEOSSOPVSA-N 489.597 5.302 30 20 JKED COc1ccc(-c2nnc(SC[C@@H](O)COc3ccc(CC#N)cc3)n2C2CCCCC2)cc1 15233769 CMDLFTGDTVXOCH-QFIPXVFZSA-N 478.618 5.057 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OCC)nnc1-c1ccc(Br)cc1 16832705 GFIJYTXANHHLAD-HNNXBMFYSA-N 487.423 5.412 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nc2scc(-c3ccccc3)c2c1=O 20789913 IIDMFVITGZSVHY-KRWDZBQOSA-N 489.622 5.633 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1ccccc1OC 20992289 UDMSVRJEGNXSNZ-UHFFFAOYSA-N 478.643 5.643 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)nnc1-c1ccoc1C 21177318 OLYXACSJPSHPTC-JSGCOSHPSA-N 467.620 5.309 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccccc2)nnc1-c1ccc(Br)cc1 22217607 JIJBIKWHDZJZQS-INIZCTEOSA-N 471.424 5.033 30 20 JKED Cc1ccccc1OCc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1-c1ccccc1 22619907 VVPRSHKSDLVZDL-QFIPXVFZSA-N 497.624 5.582 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2scc(-c3cccs3)c2c(=O)n1C 23539559 RPCBBXMVASIMSY-AWEZNQCLSA-N 487.697 5.480 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C2/C(O)=Nc3ccc(Cl)cc32)c(C)c1 24036122 WONPWWDQHTYFQV-UHFFFAOYSA-N 499.936 5.084 30 20 JKED CC(C)c1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3SCC#N)cs2)cc1 24156962 TZISUMLRHKGPHV-UHFFFAOYSA-N 465.600 5.274 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)NCc2ccccc2)cc1 28778644 LNTAXJSRLNXYTA-UHFFFAOYSA-O 476.666 5.754 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccccc2OC)n1 30547419 FLDHGNNFCRJJMC-UHFFFAOYSA-N 468.579 5.607 30 20 JKED COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 108324959 PIRSWWLOXPRBHJ-UHFFFAOYSA-N 497.507 5.009 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccccc1F 216106426 RLIAAQOAFUNXJQ-CQSZACIVSA-N 460.962 5.360 30 20 JKED N#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(OCc2ccccc2)cc1 303219643 UOPPURQNPKCIMO-ZEQKJWHPSA-N 487.987 5.152 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(F)c1 481626600 NMUJJDOYDFLBRV-XMMPIXPASA-N 473.483 5.060 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2Br)cc1Cl 484145316 RJSMMKCFNVXUBL-LJQANCHMSA-N 482.765 5.013 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2)cc1 486501999 HMYZBHVWPPOTBI-VWLOTQADSA-N 471.944 5.592 30 20 JKED Cc1ccc(-c2nc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)sc2C)cc1 487649436 PDWCJAUQVFGFNN-UHFFFAOYSA-N 473.558 5.402 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccnc2)C(C)C)nnc1-c1ccc(Cl)cc1Cl 488618054 NMTVXAGPKHBDBR-UHFFFAOYSA-N 476.433 5.362 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cc(F)cc(Br)c2)c1 490882987 JGNKDIPLCNAZPV-UHFFFAOYSA-N 498.377 5.121 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1 491557915 PISYUIPRMVDFFI-QFIPXVFZSA-N 462.594 5.479 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)nnc1-c1ccccc1 504319748 ASSFXQXUETWOCU-QGZVFWFLSA-N 488.617 5.578 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)c2)cc1 509905787 RZCLHZVBKHZTKS-UHFFFAOYSA-N 470.960 6.057 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 511308096 UBNXSVHVTQDAKF-HHHXNRCGSA-N 454.574 5.290 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 511345194 ZEAMDKKOPXYGIA-UHFFFAOYSA-N 469.463 5.551 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 511381467 IRXUUEGKQQFKBG-JOCHJYFZSA-N 468.557 5.214 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)no1 511548669 ZLPGWAUDNPRPJL-UHFFFAOYSA-N 456.527 5.895 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511777427 MXRKYMYIVHMJQL-RBTNQOKQSA-N 481.596 5.270 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)n2)cc1 512488957 MQVKQFCNDYRFCQ-KRWDZBQOSA-N 488.981 6.139 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1 513871009 JPEKVYJUDDDWFZ-UHFFFAOYSA-N 484.575 5.994 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2OCC(F)(F)F)cc1 513950185 NAWMPKIIYVCOTG-UHFFFAOYSA-N 457.427 5.873 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC2 514514591 GLBGGEXWALMZCP-XMMPIXPASA-N 461.587 5.746 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 516270209 PLDFBSRLQYHVPV-QGZVFWFLSA-N 451.935 5.623 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SCc4cn5ccccc5n4)cc3)n2)cc1 518516658 RAMACWHNPVWZMU-HSZRJFAPSA-N 491.601 6.112 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 520198073 ZZAWIXQFTBPGHU-CTNGQTDRSA-N 467.635 6.117 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cc1 520915673 MUEQNYALZVOLHY-UHFFFAOYSA-N 451.570 5.316 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)N[C@@H](C#N)c4ccc(C(C)(C)C)cc4)nc(O)c23)C1 521292397 NJSCZDVDSUHXCA-KXBFYZLASA-N 462.619 5.133 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 521427128 UFDPYWLZWIJXNH-UHFFFAOYSA-N 452.558 5.133 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(Cl)c1Cl 521712680 OJLIOHVEWKDUAE-UHFFFAOYSA-N 455.310 5.819 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)N(Cc3ccccc3)c3ccccc3C#N)cc2)cc1 560324683 YWFTYAVLGGKEGW-UHFFFAOYSA-N 489.575 5.273 30 20 JKED CCc1c(C)sc(NC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)c1C#N 561286924 UBAIAGATQKACBH-UHFFFAOYSA-N 484.301 5.105 30 20 JKED C=C(C)COc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 589741705 QLULENKEAMUAEI-SFHVURJKSA-N 452.942 5.756 30 20 JKED O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 591610246 NQCVUTVLAJRNCV-HEHGZKQESA-N 495.464 6.099 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cn2)cc1 604452952 YKMSAPYXWWICSP-UHFFFAOYSA-N 478.434 5.272 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)cc2)cc1 604461408 VOFNKEDALNOKED-UHFFFAOYSA-N 494.473 5.359 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nnc(SCc4cccs4)s3)o2)cc1 609076986 OUCNMTSXDNOJIT-UHFFFAOYSA-N 454.558 5.188 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc2Cl)c1 609079775 IFLAWFCMYJTXIX-UHFFFAOYSA-N 488.975 5.217 30 20 JKED CCCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609089350 VEJWMSYIMZFTRV-UHFFFAOYSA-N 491.975 5.177 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cs1 609151604 HJIINIBNLFTNCL-UHFFFAOYSA-N 490.972 5.598 30 20 JKED N#C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(OCc2ccccc2)cc1 609171986 LEAFTOOTCMOOPW-XMMPIXPASA-N 494.517 5.277 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3Nc3ccc(OC(F)F)cc3)CC2)c1 609185382 WPJLLCQXIPDCHN-UHFFFAOYSA-N 463.484 5.587 30 20 JKED COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1 609427872 YZSOOPMFGKQBDQ-SFHVURJKSA-N 495.626 5.167 30 20 JKED N#C[C@H](C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 613320202 WQEUJBPTUVHKQA-LJQANCHMSA-N 477.998 5.945 30 20 JKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1nc2ccccc2n1C(F)F 613403174 DHXOXWRQTFIGQT-QGZVFWFLSA-N 473.508 5.895 30 20 JKED C=CCN(C(=O)[C@H](C)Sc1ccccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614533350 CBYYQLKHZXSQOZ-HNNXBMFYSA-N 493.075 5.567 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2OCCC)nnc1-c1ccc(Cl)cc1 614831099 GWVCEGDGGNLRQU-UHFFFAOYSA-N 456.999 5.613 30 20 JKED C=CCN(C(=O)Cn1cc(C(N)=O)c2ccccc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 619566681 TUAUBABEBNVCRB-UHFFFAOYSA-N 485.396 5.390 30 20 JKED O=C(Cc1ccccc1OC(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518141 XDUDEDCEGQQZJL-QGZVFWFLSA-N 483.355 5.468 30 20 JKED C=CCn1c(SCC(=O)NC[C@H](c2cccs2)N(C)C)nnc1-c1ccc(Cl)cc1Cl 630024894 XLFMZIRLLCFLSW-QGZVFWFLSA-N 496.489 5.011 30 20 JKED CS(=O)(=O)Cc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 642281879 WHXVZGVWDZLOES-MRXNPFEDSA-N 465.383 5.152 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1nc2cc(C(F)(F)F)ccc2s1 642282006 BNCXVRSFUHGTCY-INIZCTEOSA-N 482.487 5.241 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC(C)C)CC(F)(F)F)c1 642517579 VHSBTBPXIGCPCA-UHFFFAOYSA-N 488.959 5.382 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2cc(Br)ccc2OC)c1=S 725779282 WYDUIXRLVZUVCZ-LJQANCHMSA-N 486.439 5.228 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@@H](C)c2cccs2)cc1 726420942 KFOMWWUVYUDHTC-HOSTVDGGSA-N 493.654 5.485 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2C)c1C 727252625 JCPYAIBWFOYHGY-DEOSSOPVSA-N 489.645 5.297 30 20 JKED FC(F)(F)COc1ccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1 727262188 NGOFGWQTAXHVKX-UHFFFAOYSA-N 462.497 5.034 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)nn2)c1 727745512 FONSDWCSPBKGAX-UHFFFAOYSA-N 497.791 5.070 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)o2)cc1 727984997 WGNSNDYHJLMGEB-UHFFFAOYSA-N 483.436 5.110 30 20 JKED COc1cc(OC)c(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1Cl 728051921 SIYTZEIYSFUNAR-UHFFFAOYSA-N 486.355 5.512 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)o2)cc1 728108660 CQHRNQVNDAPHOW-UHFFFAOYSA-N 479.703 5.486 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)c1 728777041 IGXKZOVSENFGTF-FQEVSTJZSA-N 472.973 5.442 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CCCCC#N)C2=O)c1 728777516 IGLHGRRPBQWCAK-XMMPIXPASA-N 492.645 5.745 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCCCC#N)C1=O 728777981 NLPVQLVCTMMKBE-DBJTXJBZSA-N 489.066 5.794 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 729142360 KNOVDHRAAJUOAZ-GOSISDBHSA-N 488.997 5.405 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2cnccc2C)ccc1Cl 729404087 QVCAWOHKZXWOOR-UHFFFAOYSA-N 476.385 5.330 30 20 JKED CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729572045 RSBSEJPCWZLMQM-HXUWFJFHSA-N 450.539 5.214 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 729634962 XXYZMKHMHPIVDY-OAQYLSRUSA-N 464.978 5.204 30 20 JKED O=C1/C(=C/c2cnc(N3CCCC3)nc2)CCc2nc(-c3ccccc3Br)sc21 730435560 CPUMPRRFAIUUNR-RVDMUPIBSA-N 467.392 5.175 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1Cl 730493961 OJRLLZWVAMCKNB-KRWDZBQOSA-N 499.992 5.261 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)nc2ccccc21 730684670 BEFBUXRIBOXOCS-HXOBKFHXSA-N 478.321 5.471 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cocn3)C2=O)cc1 730713955 VXWYCOPHTMPWAV-QHCPKHFHSA-N 492.601 5.357 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1 730942398 OQIIIONJTJYYLT-PGRDOPGGSA-N 476.577 5.559 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 730945142 OGNDNFORRLMTMM-WDYCJKGCSA-N 489.626 5.166 30 20 JKED COc1cc(/C=C/C(=O)Nc2ccccc2SCCC#N)ccc1OCc1c(C)noc1C 730982386 OUUNLVQRWRIGNC-ZRDIBKRKSA-N 463.559 5.537 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 731060024 PSAOQNHUVKLMKX-QGZVFWFLSA-N 458.539 5.500 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731305273 BJEULKJIFSLMHH-VFNWGFHPSA-N 480.977 5.162 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2CSc2cccs2)n1 742974810 MAWKSXIOFBGBKX-HNNXBMFYSA-N 468.581 5.585 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)nnc1-c1ccco1 745950228 ZOFXRAZOSOAMNI-NGALLESISA-N 493.658 5.451 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OCCCC#N 747473204 ZBDDIFZMJPPCQN-JCMHNJIXSA-N 452.601 5.907 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 748583363 BCQMSKMUHACSNX-XFXZXTDPSA-N 474.469 5.035 30 20 JKED COc1cc(/C=C/C(=O)N[C@H](C#N)c2cccc(Br)c2)ccc1OCc1c(C)noc1C 749373975 QJUJNRLKGUTVON-ZQAUEJBPSA-N 496.361 5.036 30 20 JKED CCn1c(SCC(=O)OCc2cc(C#N)ccc2F)nnc1-c1ccc(Cl)cc1Cl 794266900 WOKAMUUXDAEHHU-UHFFFAOYSA-N 465.337 5.118 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 799213982 CAWSPVHJWLHZNZ-HNNXBMFYSA-N 495.832 5.280 30 20 JKED COc1cc(-c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)cc(OC)c1OC 904670360 JLYDWODMFIKMSA-UHFFFAOYSA-N 480.336 5.719 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 912832167 UNFSIRZRSSSFCI-UHFFFAOYSA-N 472.618 5.009 30 20 JKED O=C(C[S@](=O)Cc1c(F)c(F)c(F)c(F)c1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 914520810 IQKPWPPSBHVJIT-JGCGQSQUSA-N 499.301 5.307 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 915100241 NICMHBKUPJDNDI-FOIQADDNSA-N 453.976 5.451 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101662 JZMBRCGQGIVOAQ-IRLDBZIGSA-N 491.016 5.505 30 20 JKED Clc1ccc(CSc2nncn2N=CC2=Cc3cc(Br)ccc3OC2)cc1 915270658 MWFPIYNMABFKOL-UHFFFAOYSA-N 461.772 5.296 30 20 JKED Cc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc(C)c1OCc1ccccn1 915955127 BCASEEZVEQGIDM-UHFFFAOYSA-N 463.994 5.697 30 20 JKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(O)c(CN2CCOCC2)c1 916130039 FLTJMQHBVLEIKF-NTMALXAHSA-N 476.960 5.026 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CC3)C2=O)cc1 916204373 DFPSYMDNWORDCO-IBGZPJMESA-N 461.946 5.001 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916211882 GHFSNRBAELQTFA-OALUTQOASA-N 478.401 5.133 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cs1 916278672 OLCCUQQVGNIXJK-UHFFFAOYSA-N 484.610 5.334 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F 916621799 ITQXNCLUZVHADW-DBTPVHCXSA-N 462.468 5.359 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl 916900183 NGQHTYPWAINRPN-JTQLQIEISA-N 467.761 6.140 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc(-c2ccccc2)cs1 916913279 VZVLTKGXMBIRNN-VWLOTQADSA-N 466.562 6.097 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916928465 LVBAUORAPGZCNQ-LJQANCHMSA-N 462.336 5.958 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 916955576 RTVBRDUEDUXEKN-HOYKHHGWSA-N 454.530 5.805 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 917032832 VSBZTXMKSLBTEB-AARHHUFSSA-N 479.671 5.926 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 917504835 GZSJHEGLUSQDMY-GTBONMDNSA-N 466.843 5.085 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)CSc1cccc2cccc(Cl)c12 917507390 WAVRSFKMBFVFQA-INIZCTEOSA-N 468.962 5.299 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 917700616 MCIDRAPKHJNBBZ-IBGZPJMESA-N 457.477 5.362 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C#N 917701728 BCGYPXMUBQUBMG-SFHVURJKSA-N 475.401 5.625 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 917707756 AIKJEBKFZQIYEH-NBGIEHNGSA-N 486.641 5.604 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@H]2CCCO2)c1 917714225 QIWDVMRGFXNHMF-DENIHFKCSA-N 469.582 5.088 30 20 JKED COc1ccc(OCc2nc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)cs2)cc1 920064442 AVGKWYONTFVFPC-YBFXNURJSA-N 451.573 5.239 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2c(C)noc2C)c1 920354594 DCVDDBZXPQBETG-QHCPKHFHSA-N 476.602 5.323 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 920471492 XXYPSRFMPWNNJJ-OAQYLSRUSA-N 465.619 5.227 30 20 JKED COc1cccc(NC(=O)/C(=C/c2cc(OC)c(O)cc2Br)C(=O)c2ccccc2)c1 921261486 KTUBXDIXVBCCLJ-YBFXNURJSA-N 482.330 5.077 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCOCC(F)(F)F)C2=O)c1 932747022 WGSHCEGUAXHNRX-FQEVSTJZSA-N 493.551 5.151 30 20 JKED C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1524141738 IYQVOQIDUWPXBX-MRXNPFEDSA-N 456.527 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C(C)(C)C)s2)C1 1778329139 CQUMRBZQDYOYMG-FQRUVTKNSA-N 460.684 5.166 30 20 JKED COc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)c1F 1785797802 NLTBYPRPTUTULS-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C)CCC3)cc2)C1 1785807992 BNKQRMJBWJJABJ-CVDCTZTESA-N 481.637 5.122 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1785938115 IYHQEFAXRZEEBZ-UHFFFAOYSA-N 481.637 5.288 30 20 JKED Cc1ccc(OCCC(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)cc1 1785968134 HBJKQGYSTLYBMY-UHFFFAOYSA-N 467.569 5.012 30 20 JKED COc1ccc([C@@H](C)C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(OC)c4)CCC3)cc2)cc1 1786037384 QMOMQTXWVJOSIF-LJQANCHMSA-N 483.568 5.127 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1 1786546557 YMZOQBXBIUBRNT-QFIPXVFZSA-N 469.626 5.170 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4c(F)ccc(F)c4F)cc3)CCC2)cc1 1786571296 GFKCWKTUXYVXCO-UHFFFAOYSA-N 477.486 5.160 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4sc(C)nc4C)CCC3)cc2)c(O)n1 1787171950 RBVZURAONKPOSO-UHFFFAOYSA-N 476.602 5.041 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccccc4Cl)cc3)CCC2)cc1 1787749606 OHUWFXOKRLKSCC-UHFFFAOYSA-N 457.961 5.396 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cc1 1787768984 VHXUWMIYQDZHOS-UHFFFAOYSA-N 497.595 5.344 30 20 JKED Cc1cccc2c(C(=O)NC3(c4ccc(NC(=O)/C=C/C(=O)c5cccs5)cc4)CCC3)n[nH]c12 1788649913 ITHUDQVZAPDILZ-OUKQBFOZSA-N 484.581 5.120 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2)CCC1 1788786214 MEAAXZGUJZMFAM-CMDGGOBGSA-N 499.514 5.349 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)cc2)CCC1 1788883794 KPGRMFOAUIHWRH-UHFFFAOYSA-N 474.948 5.579 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)nc2ccccn12 1788935068 BSCIWEIJLIEXDO-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(Cl)cccc4n3)CCC2)cc1 1789454445 YPAAQDXLESJXJF-HXUWFJFHSA-N 462.981 5.504 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c(C)n1 1789966621 FMZYIXZZMXURJE-UHFFFAOYSA-N 458.949 5.285 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1790512746 ZUKPCCMKRMCIHC-UHFFFAOYSA-N 483.568 5.006 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)cnc1C 1790785469 OJOHNIGMIPJSBA-UHFFFAOYSA-N 492.501 5.650 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)CCC2)cc1 1791243286 JMHKKUDZWPKFFT-YADHBBJMSA-N 473.617 5.003 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc4ncsc4[nH]3)CCC2)cc1)c1ccc(O)cc1 1791646500 VGOMDVCIPJNPMA-LJQANCHMSA-N 498.608 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5[nH]4)CCC3)cc2)c1 1792123426 AADAELPWSTUTER-GOSISDBHSA-N 463.541 5.251 30 20 JKED C[C@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126399 GDYHQJUSBDHKBX-UXHICEINSA-N 455.558 5.533 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)COCc4ccccc4)CCC3)cc2)cc1C#N 1792168249 DYKQZJIDCZRWLA-UHFFFAOYSA-N 497.595 5.310 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3occc3n2-c2ccccc2)c(Cl)c1 1799112343 CIYQEBUXCMRVIV-NUZGMZIFSA-N 498.970 5.314 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)c(C(F)(F)F)c1 1799648172 PGIALAUZGUTXGA-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1803082195 OUXSNOSMPAFICT-PXJZQJOASA-N 467.613 5.252 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803092916 NDMAAECTTOCOQI-NFBKMPQASA-N 489.513 5.328 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803228201 NQSFZNYJEQSYLK-UOYQKJQJSA-N 468.041 5.393 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1803560018 JMUXSKJXZPAZMM-DFBJGRDBSA-N 498.048 5.252 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)C1 1806027922 NEGWIDNPLIAIPS-HSZRJFAPSA-N 460.618 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1806544181 YODPQHOPJYHDQP-RQTOMXEWSA-N 485.550 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1806594902 XLUTWDTWCDPMNY-QQKQFIJSSA-N 485.550 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1807732310 GUUXDCJPGJDHCK-JPYJTQIMSA-N 497.064 5.657 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1807732316 GUUXDCJPGJDHCK-WZONZLPQSA-N 497.064 5.657 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1807958711 CMYKJEPPNLRUEC-PZJWPPBQSA-N 451.592 5.201 30 20 JKED O=C(CCC(F)(F)F)N1CCCC2(CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)C1 1809487002 NFWFVZICJBGSRU-UHFFFAOYSA-N 468.413 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810173971 KJURAOPEUAHOID-PPJWLVRDSA-N 496.051 5.610 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1810178956 VEANCRWPWSKIKU-XFAFFCHDSA-N 491.607 5.098 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4)CC3)C2)c1 1810342129 WLVSGKGKQYYCMQ-UHFFFAOYSA-N 478.596 5.087 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2C)[C@@H]1c1cccnc1)c1ccccc1 1810446278 BABNIAQHGNGIQZ-SAAIGDAKSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1810495498 SMVQKSAMNRHCON-URXFXBBRSA-N 487.566 5.341 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(F)c2Cl)[C@@H]1c1cccnc1 1811094983 LNTMSRBWAFDYCX-GCJKJVERSA-N 457.977 5.186 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1811418971 DGQHMOORAURLKV-GJZUVCINSA-N 493.051 5.533 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812516552 TUUWUWIZXCGFKW-GCJKJVERSA-N 496.385 5.238 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@H]1c1cccnc1 1812591214 UWEIRMBFQXAGSV-XPIZARPCSA-N 495.929 5.165 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812673428 UIYPUVSXHLZVTQ-DENIHFKCSA-N 469.557 5.136 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c(Cl)c1 1813833360 MOBSRFWWEBQKFW-FPDDQMOCSA-N 487.003 5.304 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)[nH]n2)C1 1814397743 XMCPYBKOQJUHTL-JTHBVZDNSA-N 455.002 5.461 30 20 JKED Cc1c(F)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1814610247 OUGPDYACYFVYOS-QHCPKHFHSA-N 489.551 5.136 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)n[nH]1 1814926298 UYJYRCOUYPLLHQ-CROMWVBPSA-N 468.548 5.252 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1)c1ccc(O)cc1 1815022429 DMRHKFNPLFOORH-OFNKIYASSA-N 498.574 5.130 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)[nH]n1 1815209866 ZFRRFECKJUDDLO-JOCHJYFZSA-N 485.028 5.160 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cc[nH]n3)n3ccccc23)n[nH]1 1818972690 OZJWNCGAOPODTC-DEOSSOPVSA-N 497.603 5.127 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)n[nH]2)c(Cl)c1 1818993954 JDJRSWZDSXOBSW-JOCHJYFZSA-N 490.926 5.175 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cnccc34)n[nH]2)c1Cl 1819129015 CIVYKEUISJBMOL-QFIPXVFZSA-N 484.947 5.103 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1819307647 KDUUZPYFKVICHI-LAUBAEHRSA-N 466.969 5.884 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sccc2Cl)n[nH]1 1819957097 HYHFMLBYJBHHNZ-SFHVURJKSA-N 477.106 5.482 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2SCc2ccccc2)n[nH]1 1820004122 ULYHPRRGKPOEOQ-HSZRJFAPSA-N 487.629 5.206 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820238241 IYPIDSOLGWJSRJ-MHECFPHRSA-N 491.567 5.323 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821046658 CZWDXOMTJDTKBQ-UPVQGACJSA-N 478.618 5.462 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157740 SIUZDACCYRUNFY-JOCHJYFZSA-N 481.547 5.335 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2CSc2ccccc2)n[nH]1 1821262685 CXKOKBOSYIFSKW-VGSWGCGISA-N 480.659 5.326 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1821986842 PAICMXAUVKVJCP-INIZCTEOSA-N 462.497 5.281 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(Cl)c1 1823216032 NGZDQDJURZLSSU-HXOBKFHXSA-N 475.980 5.618 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1)NC(=O)OC(C)(C)C 1823347821 GTVHENMSNOOWQM-FPOVZHCZSA-N 487.645 5.008 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823683327 SFGMBWJPAXRJQF-HHHXNRCGSA-N 491.752 5.162 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1823812230 PUUUPPXEOXLHDL-RUZDIDTESA-N 490.003 5.434 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1)c1ccc(O)cc1 1825881723 ZFEBGPUGFKKEQI-SHQCIBLASA-N 476.617 5.033 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(F)c3)CC2)c1 1826555836 NOZCMSGQOZMCCH-AFMDSPMNSA-N 479.571 5.068 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)[C@@H](C2CCOCC2)CN3)CC1 1826777904 HGIUQLBYIZKLIL-OEQAEZTDSA-N 493.692 5.068 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1828344306 OMBAWULIZVURHG-CUNXSJBXSA-N 489.685 5.648 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1828400945 PZJRHIRKUIBPOA-CYXNTTPDSA-N 476.020 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1828824817 OPCIPNAZQWFDQS-KEYUVNQYSA-N 489.704 5.753 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828998406 CMGLDFBTGUFRLF-FTGODIDHSA-N 457.659 5.315 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2CC)CC1)c1ccccc1 1829029537 BXCDDQBBFYWZFF-LSYYVWMOSA-N 471.645 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1829182249 KDOAJZFLHOWROT-HTAPYJJXSA-N 499.442 5.563 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1)C(F)(F)F 1829519963 BXJUGEJCSWAHHZ-QHCPKHFHSA-N 471.523 5.100 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)CC2)CCC1 1829582014 IAQBXLCRCHMXCR-NRFANRHFSA-N 474.630 5.081 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2CSc2ccccc2)CC1 1829709068 RXKASVBKWIPHPQ-DEOSSOPVSA-N 497.611 5.404 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)cc1C#N 1829864812 HZUFMAIEMVWECX-QFIPXVFZSA-N 483.996 5.139 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C)CC1)NC(=O)OC(C)(C)C 1829946783 IIKCXRKARYMYHO-ZCYQVOJMSA-N 497.680 5.088 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1830274364 MCELNGYPDNRHOH-BVAGGSTKSA-N 494.079 5.827 30 20 JKED Cc1ncsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601847 JWCDHKLRHZEQAH-HHHXNRCGSA-N 497.664 5.398 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2OC)CC1 1830715456 YCHXELLKNIYUGL-IIBYNOLFSA-N 495.433 5.042 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830977319 CNHYNOSXXDHQGQ-UGKGYDQZSA-N 454.636 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830995229 JTKWNQVOGPUYIE-YKSBVNFPSA-N 468.041 5.823 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831305814 BEVCQUGBRHVQAM-ILBGXUMGSA-N 477.114 5.619 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 1831859123 CARLPQWPXKTHNI-LJQANCHMSA-N 471.798 5.051 30 20 JKED COc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1832594276 DYBAOTKWBSVFLE-VWLOTQADSA-N 486.704 5.119 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc4c(Cl)cccc4s3)C2)cc1C#N 1843805425 OAIKGOKNRQXASR-UHFFFAOYSA-N 494.016 5.344 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)c1cn(C(C)C)cc1C(F)(F)F)C2)c1ccccc1 1844335507 MRORCGTUKMCHLS-OAQYLSRUSA-N 485.550 5.102 30 20 JKED C#CCCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(F)c(F)c2CSc2ccccc2)C1 1844759418 QOQSHSNNXSJQKB-UHFFFAOYSA-N 482.596 5.268 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CCc2ccc(Cl)cc2Cl)C3)c1 1846830809 ZFKHVLGINJUCNP-QGZVFWFLSA-N 470.400 5.070 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC2(CCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)C1 1846981475 GWEPSEZHMCWURX-CTYIDZIISA-N 480.424 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Br)c(C(F)(F)F)c1 1847263619 FWFZTXHCXFDPPS-ROUUACIJSA-N 487.360 5.276 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nc2scc(-c3ccccc3)c2c1=O 9041769 PUWQCQFWLSXVEG-KRWDZBQOSA-N 461.612 5.739 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2cccc(O)c2)c1 10172483 YUSMXAGVQYYGQD-UHFFFAOYSA-O 456.385 5.110 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1 14872555 SXLZTZNNGWLRFR-UHFFFAOYSA-O 486.322 6.230 30 20 JKED N#Cc1ccc(NC(=O)CSCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1Cl 15581188 CDYUAJJDOXLMIO-UHFFFAOYSA-N 466.975 5.049 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nc2sccc2c1=O 16768780 WZNKSKCRTGDBEB-HXUWFJFHSA-N 463.584 5.125 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1 18064913 TUPYHSXANUTJJK-SZXQPVLSSA-N 468.597 5.553 30 20 JKED CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 23379082 JYUWCVUQPBSNNB-HNNXBMFYSA-N 471.583 5.247 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1 23608131 MJEPKKANDQJXST-OAQYLSRUSA-N 485.613 5.631 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2c(C)c(C)sc2n1 27445100 ATJNNWMYQBZUMQ-INIZCTEOSA-N 450.614 5.709 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(C)c2)c1C 28793538 SJZMRIFVAXLTHD-UHFFFAOYSA-O 498.628 6.273 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)c2cnn(C(C)C)c2)cc1OC 214912808 RAYZTSNDBGLBKN-BENRWUELSA-N 456.546 5.289 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)nc2ccccc21 303192880 ZOFNLDILJPTFFJ-FQEVSTJZSA-N 489.630 5.441 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Br)s3)s2)c(C(F)(F)F)c1 487384140 GFNCPVSVLYSRCB-UHFFFAOYSA-N 472.311 5.701 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 490104902 KDGRHADLYRBJPF-UHFFFAOYSA-N 462.409 5.600 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2cccc(F)c2)nnc1-c1ccc(Cl)cc1Cl 490549289 YKSMVIRRUYXZHX-HXUWFJFHSA-N 491.419 6.033 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2cccnc2)C(C)C)nc2scc(-c3ccccc3)c2c1=O 496538321 UOOCHCHJIFKXOB-QFIPXVFZSA-N 490.654 5.139 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)Cc2cccnc2)c(OC)c1 500077087 XLMPFTYIIZBLQT-UHFFFAOYSA-N 468.557 5.122 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C)n1CCc1cccs1 502855431 IXCUHDWHIBZGTE-UHFFFAOYSA-N 494.414 5.241 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 506572494 ZKAXDYGVBXGOPW-SFHVURJKSA-N 481.581 6.125 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 506844647 QYVQKECWQCQJHH-HXUWFJFHSA-N 470.579 6.084 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 507074194 XYPWYDUPSSCMST-IBGZPJMESA-N 475.957 6.211 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2n1C(F)F 510022159 BUPWHDUCDVWJQO-DNVCBOLYSA-N 479.918 6.623 30 20 JKED Cc1ccc(I)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 510848253 HCVCPUDZLLSNRR-UHFFFAOYSA-N 468.294 5.303 30 20 JKED N#Cc1cccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 511737849 MOWMSMICZGTRHH-UHFFFAOYSA-N 460.437 5.022 30 20 JKED N#Cc1cccc(COc2cccc(CNCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2)c1 513642565 IOJHSCQODMJFHB-UHFFFAOYSA-N 465.528 5.818 30 20 JKED CC[C@@H](C)CCCCn1c(SCC(=O)Nc2sccc2C#N)nc2ccccc2c1=O 513896408 XPGGQQMOURLJJS-MRXNPFEDSA-N 454.621 5.277 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(F)cc3Br)s2)c(C(F)(F)F)c1 514578643 XCCPOMBSUKCWTQ-UHFFFAOYSA-N 484.272 5.778 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NCC(=O)Nc2ccccc2SCC#N)cc1 515445079 GDFLQQCEPNXUFL-UHFFFAOYSA-N 472.614 5.903 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccsc2)nnc1-c1ccc(Cl)cc1Cl 516071214 ABOSCPAVISAOJC-SFHVURJKSA-N 479.458 5.955 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)n2)cc1 516270425 XYWHAKYBWKJCNV-SFHVURJKSA-N 471.492 5.124 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)n2)cc1 516714237 WPFSREHHCSOUPO-NRFANRHFSA-N 479.565 5.566 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1S[C@@H](C)CC#N 517528400 XAPFNLFADVRKJT-HNNXBMFYSA-N 462.388 6.203 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 517808715 RSBJQVVHYMNEAD-UHFFFAOYSA-N 476.960 5.815 30 20 JKED N#CC1CCN(C(=O)NC[C@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)CC1 517917800 PCUIUKZRGMVXIC-HXUWFJFHSA-N 463.434 5.099 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)n1 517924133 MFJBHNYQDBHYAC-FQEVSTJZSA-N 470.554 5.279 30 20 JKED N#C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(Cl)c1Cl 518207412 JGFFZDHTGUMOEZ-INIZCTEOSA-N 457.283 5.005 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 518743021 ITRKXBHMUNAYGJ-AWEZNQCLSA-N 484.672 5.542 30 20 JKED Cc1cc(COc2ccc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)cc2Br)on1 519214639 YRCPKABLIFSILD-UHFFFAOYSA-N 493.279 5.125 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)cc2)cc1 520610503 AIUWMEUXTONHDT-UHFFFAOYSA-N 450.498 5.039 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 520835354 KVWFIUGUWJPIOG-UHFFFAOYSA-N 482.549 5.680 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 521725491 FZNHXCCTJCMRPY-CQSZACIVSA-N 484.375 5.798 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 521738112 CKISTKMFMBYMHA-RBUKOAKNSA-N 486.597 5.007 30 20 JKED CCC[C@H](C#N)NC(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 522589873 RRNPHIANRAIEFQ-GOSISDBHSA-N 476.046 5.225 30 20 JKED Cc1cc(NC(=O)c2cc(/C=C\c3ccc(C)o3)nc3ccc(Br)cc23)n(CCC#N)n1 522742943 POKKNMIMSWHPAH-VURMDHGXSA-N 490.361 5.740 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)cc2Cl)c1 524422921 NQCDXPQUHAEYRK-UHFFFAOYSA-N 476.916 5.163 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 603533370 WPEHLATZAIUNGU-UHFFFAOYSA-N 454.452 5.015 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(CN3CCCCCC3)CC2)cc1 603831624 ILQQVZGFWOJWHE-UHFFFAOYSA-N 460.622 5.452 30 20 JKED COc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 604365109 PXKIPVZROOZZIN-UHFFFAOYSA-N 457.530 5.743 30 20 JKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 604554778 WQZNAKVLHSXERE-HXUWFJFHSA-N 479.584 5.258 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NC3CCN(C(=O)CCc4ccccc4)CC3)c2)cc1 609209882 RSPIBIGFQVAHML-UHFFFAOYSA-N 468.557 5.096 30 20 JKED Cc1ccc(Oc2ccc(NC(=O)NC3CCN(CC#N)CC3)cc2Cl)c(Br)c1 609339969 INPBRLKOCLLFNV-UHFFFAOYSA-N 477.790 5.313 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 609377346 UIEKHALCNUSEIX-IBGZPJMESA-N 453.571 5.497 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nnn(-c2cccc3cnccc23)c1C 609407692 DYLYRVSLTRKEIO-UHFFFAOYSA-N 474.524 5.135 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)cc2)c1 609434464 MGTVIPFPBZQHNX-HXUWFJFHSA-N 483.503 5.951 30 20 JKED C=CCn1c(SCc2nc(O)c3cnn(-c4ccccc4)c3n2)nnc1-c1ccc(C(C)(C)C)cc1 613170374 UTLZLGAHMIETRS-UHFFFAOYSA-N 497.628 5.555 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NCc2cc(Br)cc(Br)c2N)cc1 630067452 GUFNRFDMQWOLGG-UHFFFAOYSA-N 479.216 5.220 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccs2)cc1F 726411441 LYKRYHHEVMXDSZ-OAQYLSRUSA-N 483.590 5.365 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC2CCC2)cc1F 726413703 ZZCPELISNGHRMV-QFIPXVFZSA-N 469.582 5.212 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)Cc1ccco1)c1cccs1 726415214 FXZAVWXKNOKWOO-SCZHLRSJSA-N 481.643 5.040 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N/[C@@H](C)c1cccs1 726422230 VXWHCPNNFTVPQK-LRPJYJENSA-N 469.604 5.473 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1)c1cccs1 726422379 WMVSPRWIPYDSCL-XEUQCIHBSA-N 467.591 5.477 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 726892604 VMLPAGRBABPXPA-IIBYNOLFSA-N 494.642 5.490 30 20 JKED N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 727629167 SLRNYWOCXJBCGE-CQSZACIVSA-N 454.395 6.242 30 20 JKED COc1cc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)ccc1NC(=O)OC(C)(C)C 728268178 LMVADUPSJIIYRM-UHFFFAOYSA-N 460.534 5.574 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC(c3ccccc3)C2)C1=O 728422719 LBXXQFAULAVIPZ-GSQSYGFSSA-N 462.402 5.007 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2ccccn2)c1Cl 728429951 MCLJEEYKBCDUHP-DYVFJYSZSA-N 477.417 5.058 30 20 JKED COc1cccc([C@H](C#N)NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1OC 729427534 MAQMSOOAWASREF-SQJMNOBHSA-N 466.990 5.561 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 729633569 FCTXPRIKOIVSEI-QFIPXVFZSA-N 479.005 5.512 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2n1C(F)F 730689215 BLFDBAACFUAXJO-KSFYIVLOSA-N 469.850 6.220 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cocn3)C2=O)cc1Cl 730712684 HWAKZXSDCVYJJT-NRFANRHFSA-N 498.992 5.114 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cocn3)C2=O)cc1 730718655 NCDOAISGROHBNG-QFIPXVFZSA-N 496.564 5.071 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3CC)N(Cc3cocn3)C2=O)cc1 730718862 RASBNQSBDBWEKV-HSZRJFAPSA-N 492.601 5.186 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730932728 OATBEYGJHMMMLD-UHFFFAOYSA-N 455.027 5.482 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)c1 730944260 UYUVRAFQCHLSNY-WMZHIEFXSA-N 458.587 5.420 30 20 JKED CC(C)c1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cnn(C(C)C)c2n1 731067176 NXDITMMFRGMCHL-KRWDZBQOSA-N 479.606 5.183 30 20 JKED Cc1cccc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1NC(=O)c1ccoc1C 731073900 MSRBCXHYQUIYKK-INIZCTEOSA-N 491.569 5.196 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 731114680 UQJYQJNDEPPBIB-MRXNPFEDSA-N 460.550 5.330 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1-c1ccccc1 731313241 UXFWWQYIRNWRCQ-VWLOTQADSA-N 498.608 5.713 30 20 JKED CCCc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1-c1ccccc1Cl 749048720 NGHCNULEKMGZDM-HNNXBMFYSA-N 489.935 5.149 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 750706222 SNVVWLWXJIWKTK-QHCPKHFHSA-N 473.529 5.278 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)n(Cc2ccc(F)cc2)c1C 761747416 XNUYBWQVJCJGLY-UHFFFAOYSA-N 496.542 5.385 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 818231374 UUDAYFXNSZGESJ-UHFFFAOYSA-N 472.438 5.015 30 20 JKED Cc1cc(Br)c(NC(=O)CON=Cc2cccc(Cl)c2Cl)c(Br)c1 821464060 AVAFIBGOZGRAMV-UHFFFAOYSA-N 494.998 5.816 30 20 JKED O=C(OCc1c(F)c(F)c(F)c(F)c1F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 844164734 OYUADWMAHMRRMY-UHFFFAOYSA-N 488.762 5.409 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccc(C)c2)C1=O 912771407 AVZMSSVVBLIANG-QHCPKHFHSA-N 477.561 5.303 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1cccc(C)c1 912771798 NLCBULWIPCILEI-XMMPIXPASA-N 489.597 5.173 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CC(C)C)c1 913119013 GUIKMHNHOCTPMZ-FQEVSTJZSA-N 490.988 5.054 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914516763 DICRNJRIFVJCSS-BKUYFWCQSA-N 483.684 5.286 30 20 JKED N#CC(CCOC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)(c1ccccc1)c1ccccc1 914886307 HDXYLKCMIXMBAF-UHFFFAOYSA-N 488.534 5.260 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CC2CCC2)C1=O)Nc1ccc(F)cc1F 915116919 SFZBQNRQKAYPEO-LJQANCHMSA-N 495.498 5.327 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 915180712 RGGVPYGMKFFLSX-VSGBNLITSA-N 490.563 5.873 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)ccc1O 916158124 YGMYURMAHITVCR-FPYGCLRLSA-N 485.895 5.116 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(Cc3ccco3)C2=O)c1 916209300 JABCSZPLFFJWKS-OAQYLSRUSA-N 499.539 5.658 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C(F)(F)F)c1 916217240 IRLIZMLTEPTSDT-KRWDZBQOSA-N 471.451 5.354 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916880586 COFYOVQYSAZZEL-SFHVURJKSA-N 452.898 5.149 30 20 JKED N#C[C@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)Nc1ccccc1Oc1ccccc1 916908580 NABMQJMNDQHKCO-UZUQRXQVSA-N 491.956 5.283 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 916937360 AQNUDUIEMHUXGW-DEOSSOPVSA-N 482.492 5.150 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 916971852 FIKUAFRNZACNIB-HSZRJFAPSA-N 493.654 5.013 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc(-c2ccccc2)cs1 917026521 GCMSJMWENYOGKG-GOSISDBHSA-N 469.513 6.371 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)[C@@H]2c2cccs2)cc1 917040088 ICWWIAVVWBXONP-YZZKKUAISA-N 490.535 5.772 30 20 JKED N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc2ccccc2n1C(F)F 917040305 KRIGMTLDRYBDBW-QGZVFWFLSA-N 451.860 6.007 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2ccc(F)cc2)n(C[C@H]2CCCO2)c1=S 917485810 YMVCGDDQYSSDOY-HSZRJFAPSA-N 468.598 5.053 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 917504837 GZSJHEGLUSQDMY-KKTNHOPESA-N 466.843 5.085 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(-c2cc(Br)cs2)n1 917601141 KCKIZGVOGVTHNO-UHFFFAOYSA-N 469.769 5.316 30 20 JKED C[N+](C)=c1ccn(/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)Cc2ccccc2-3)cc1 917612529 WUXHVXGPEVJFLB-UHFFFAOYSA-O 489.624 5.286 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1C#N 917702708 IHXQOQBOWNFJEJ-GOSISDBHSA-N 491.787 5.112 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1 920050123 XZLGAILOYFOGBP-KBMIEXCESA-N 489.417 5.753 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3cccc4cccc(Cl)c34)n2)cc1 920141744 QCFWVNUKJSKPCC-SFHVURJKSA-N 459.983 6.457 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@H](C)c2ccc(C)s2)C1=O 920168053 HXJUHEWDTCLAFI-BDJLRTHQSA-N 456.420 5.192 30 20 JKED COc1ccc(-c2cc(COC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)on2)cc1 920891841 FKVQGOAFLDSSMT-UHFFFAOYSA-N 456.502 5.101 30 20 JKED Cc1c(Cl)c(COC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 920908216 WQIGEJXQFJKTTG-UHFFFAOYSA-N 475.892 5.239 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(Br)c2c(c1)OCCCO2 921254764 CGYXXROYMUNNME-UHFFFAOYSA-N 495.402 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CCO2)C1 1778882118 FGXRDNPRKGELGZ-MXBOTTGLSA-N 495.623 5.114 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c(F)cc(Cl)cc1Cl)C2 1779274486 WEELUFWKDMQVBP-WSCWJOSJSA-N 483.411 5.028 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cccc([C@@H](C)C#N)c3)C2)CC1 1782972898 JYMBRXSISOAIAJ-YRKWBHCPSA-N 479.665 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1785939225 MUISLRGVZKYZHE-UHFFFAOYSA-N 483.653 5.512 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CCC2)cc1 1786676340 IHUZFACGHJBGIL-WOJBJXKFSA-N 456.558 5.122 30 20 JKED CO[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1)c1ccccc1 1787711742 DMTNIDSXGDNZBA-HHHXNRCGSA-N 467.569 5.013 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4nn3)cc2)CCC1 1788494145 GEAJTORVBIHXEK-UHFFFAOYSA-N 460.965 5.225 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc(-n4cccn4)cc3)CCC2)cc1 1788649936 KPIMYSHWABXDLP-BUHFOSPRSA-N 496.592 5.121 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(C(C)(C)C)cn4)cc3)CCC2)c1 1788884158 VCQMISMEVZWVMY-LJQANCHMSA-N 481.600 5.463 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc4cnccc4c3)cc2)CCC1 1789013199 PPYXOFJJFDHWQY-ZHACJKMWSA-N 481.577 5.483 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)[C@]5(F)CCCCC5(F)F)cc4)CCC3)c2c1 1789166188 KDOQUFMVQZGVAC-RUZDIDTESA-N 495.505 5.100 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4-c4ccccc4)CCC3)cc2)c1 1790147118 ISKNQWRUKIHUBI-UHFFFAOYSA-N 461.525 5.010 30 20 JKED CC(C)(C)OC(=O)N[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccccc3)cc2)CCC1)C(C)(C)S 1790213039 SGXJAIOMOWVIQH-OAQYLSRUSA-N 497.661 5.036 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)CCC1 1790226524 IHQAAOUBIATCIV-UHFFFAOYSA-N 477.923 5.177 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)CCCC5=O)CCC3)cc2)cc1 1790290406 WRFBCSVXKVFCQZ-UHFFFAOYSA-N 463.537 5.139 30 20 JKED Cn1cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)c(C(F)(F)F)c1 1790520499 YGABMIUYUJQRJP-UHFFFAOYSA-N 498.480 5.045 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4coc(C(C)C)n4)CCC3)cc2)cc1C#N 1792168241 CVOYOAGTSAJBQI-UHFFFAOYSA-N 486.572 5.518 30 20 JKED Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)COc5ccccc5C#N)cc4)CCC3)c2[nH]1 1792240757 RHPHYGDJFMYYRR-UHFFFAOYSA-N 478.552 5.175 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(CC(C)C)oc2ccc(OC)cc12 1796430390 XGWGWRSERBMIOJ-YSTOQKLRSA-N 452.595 5.104 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ccc(Br)cc3c1)C2 1798340204 PXFRUBYHXQQFTO-LRSLUSHPSA-N 482.422 5.018 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)c(F)cc2nc1Cl 1799204144 GTIDFGAWICRDCO-BCDXTJNWSA-N 473.951 5.187 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)[C@@H]2c2cccnc2)C1 1802405235 HTLNYCKYKQBLDE-PXDATVDWSA-N 485.550 5.095 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1803081721 FOVSBRGPPPTSQL-RCZVLFRGSA-N 485.550 5.117 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1803091451 NJDQCHUUVWHNKD-XCZPVHLTSA-N 486.660 5.160 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C(C)(C)C)s3)[C@H]2c2cccnc2)c1 1808802382 LKNDCCUAHMCHLB-PXDATVDWSA-N 486.641 5.254 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@H]1c1cccnc1 1809625268 MFNOEOMIYYPTBF-YVSOFHLNSA-N 465.682 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1810183116 RXANYHFBEHVPBE-POGFHVCPSA-N 479.596 5.096 30 20 JKED Cc1cc(C)cc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810272883 SZPMAGPLLVBMQL-SHQCIBLASA-N 475.709 5.069 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)ccc(F)c1F 1810277733 TUKLBHOAPDGPBE-HFZDXXHNSA-N 497.662 5.039 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCC2)[C@H]1c1cccnc1)c1ccccc1 1810443913 NJNJCTNJRTWENK-GIRNKXDNSA-N 469.629 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1810505442 UUUCAKBOVNLCSI-NOZRDPDXSA-N 453.671 5.686 30 20 JKED CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1811420137 LTWGYVAFMXGTRE-BVAGGSTKSA-N 487.003 5.193 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1811889669 FYRONYOGQFIEQO-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1812259652 YBURDYCVBJLNBG-QFQXNSOFSA-N 489.019 5.371 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1812438597 MVHJXOKUTSWBAZ-JQYIIUTOSA-N 478.036 5.239 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1812590432 JTIFGZWBUJJSNI-PXARDIRTSA-N 464.368 5.059 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1813868340 LVBRCGLZCAYUGD-RQADYFSKSA-N 487.003 5.304 30 20 JKED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2c2cccnc2)CCC1 1813977634 NKIRCLHXNSPTFS-YWZLYKJASA-N 491.806 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1814261662 RWPFTRDEQIOSSE-RKCJLZEESA-N 482.628 5.359 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(Cl)cc3)n[nH]2)c1 1816934695 FYTWDHINAODBBI-UZUQRXQVSA-N 475.980 5.239 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccccc3)n[nH]2)cc(C(F)(F)F)c1 1816964389 GPLHSDHLADIMLR-CZQLGGELSA-N 493.489 5.319 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)n[nH]1 1817678176 KDTMMSGVJBYHJF-QHCPKHFHSA-N 493.011 5.261 30 20 JKED CCC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1)n1cccc1 1818062551 GTSGISNQBBFSTA-VEXUSMLFSA-N 472.593 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)[nH]n1 1819306619 ABKCBMGETODQQD-OPAMFIHVSA-N 467.520 5.244 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)[nH]n1 1819556015 OSZCFUHSRPSOSH-FQEVSTJZSA-N 463.582 5.198 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)[nH]n2)c1 1820207126 AZDUUXJEOQXTRT-SRPRTCBCSA-N 489.620 5.202 30 20 JKED Cn1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc2ccccc21 1820219149 LHMGAHVOOAXPOC-OAQYLSRUSA-N 486.963 5.046 30 20 JKED CCSc1cccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1820399958 NTVZDSHWGPIRHZ-UTKZUKDTSA-N 488.617 5.163 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)cc1Cl 1821270727 CINFWPKKKJVDKB-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)[nH]n1 1821925494 UWZHLJUXTWDQQJ-HRAATJIYSA-N 499.587 5.414 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1)C(F)(F)F 1821992207 KNSRFGYYXVROAB-IBGZPJMESA-N 491.901 5.344 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)c2c1 1823215426 RGZYUIXZMJMVJI-GKVSMKOHSA-N 496.571 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cccc2OC)n[nH]1 1823251941 RSWTZQQPUKFPRK-APWZRJJASA-N 456.974 5.146 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 1823299020 BBRLDXQULYQHRK-UGSOOPFHSA-N 452.452 5.086 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(Cl)cc3Cl)[nH]n2)CCC1 1823380885 RFGCTEOSPYSFLR-LJQANCHMSA-N 474.392 5.035 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1 1823752610 IMSPAHWILSJVST-RUZDIDTESA-N 484.681 5.249 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1823754182 ZRBLQNRZIBVWBP-IBGZPJMESA-N 453.549 5.259 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1824032061 ULMWGBPZDNNWRC-FCEKVYKBSA-N 487.619 5.053 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)CC1 1827996526 BMLSPQNEQGCPAX-NDEPHWFRSA-N 492.623 5.439 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828320602 VSTYVGXMSRMUTD-FQEVSTJZSA-N 477.095 5.707 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c(Cl)c1 1828517204 FONMDHYBMIWNCN-VWLOTQADSA-N 492.982 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1828826741 BGJJFPGGDQHULE-FTJBHMTQSA-N 494.676 5.486 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 1828903778 GBKLTQWLWCCMFO-HSZRJFAPSA-N 489.683 5.304 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1 1828904989 GXYQCSSTRPSXJF-FQEVSTJZSA-N 463.094 5.217 30 20 JKED C[C@H](Cc1ccco1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828908758 VEZRWJQIEJWVKX-RCZVLFRGSA-N 470.730 5.129 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1)c1ccccc1 1829031320 YJIOSENPGKEWIG-AOYPEHQESA-N 493.598 5.450 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829408906 TVKJLDZVDPEYJW-NRFANRHFSA-N 497.989 5.756 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830596386 BXXOERWLPIGLLA-GOTSBHOMSA-N 460.684 5.052 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)CC1 1831303131 FUKISCYHGCMTRT-CLJLJLNGSA-N 482.665 5.025 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1831376364 PSUXQWUAJBJLMS-HRAATJIYSA-N 454.508 5.290 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Sc2cccs2)CC1 1831445394 IDKLMHHKRUNOEL-AEFFLSMTSA-N 456.624 5.060 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686350 DYPYPVFZTDVGCZ-NJTIBFSMSA-N 491.495 5.001 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 1832024674 BWUREWUFVGZTKD-JOCHJYFZSA-N 477.418 5.015 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1832030804 WKXUPFXBAQZXEI-QHCPKHFHSA-N 454.014 5.248 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1832034770 VJCJJWHCQIWMDG-AREMUKBSSA-N 499.095 5.202 30 20 JKED Cc1ccc(OCCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832630057 XWFJAUCCJFIVPE-LXFBAYGMSA-N 487.644 5.325 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1837685347 NPGMIZHZDGPMPR-NEKDWFFYSA-N 466.666 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 1838373693 FXARRKCVKFPOJZ-NRFANRHFSA-N 479.448 5.374 30 20 JKED C=CCn1c(SCC(=O)Nc2cccnc2Cl)nc2scc(-c3ccc(C)cc3)c2c1=O 8649225 JOGWAVAXTBVVKX-UHFFFAOYSA-N 483.018 5.399 30 20 JKED Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 9863060 UXDJNKMTQCHNRL-OAHLLOKOSA-N 468.604 5.278 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172897 QKGUROCRWAJPTH-UHFFFAOYSA-O 461.579 5.867 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(O)c2)c(Cl)c1 10178883 WTSHBZRZYSLMLB-UHFFFAOYSA-O 451.999 5.490 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179644 NILSWCCJNBUFAW-UHFFFAOYSA-O 483.560 5.372 30 20 JKED N#CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)c(Cl)c1 15222839 RWIHTTVQSUMPDB-UHFFFAOYSA-N 484.771 5.156 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(Cl)cc1 15276211 BWVAQXKREIKWCY-UHFFFAOYSA-N 479.009 5.318 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 17830865 FXUNGQTYPGXMSS-UHFFFAOYSA-N 457.602 5.178 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(OC)cc1 22095032 PKDJGOVWAUTSFM-CQSZACIVSA-N 462.497 5.278 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)c(C)c2)cc1 22695442 FFNWFLBCAHLFRI-UHFFFAOYSA-O 467.605 6.824 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23604222 ASICBZDDMOTRIW-UHFFFAOYSA-O 473.449 6.156 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccc(F)cc2)c2nccn2C)cc1OCC 30644568 CURXKZBKKMHDLM-OAQYLSRUSA-N 474.374 5.164 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32291345 PFJFMBHJRABBDA-XMMPIXPASA-N 489.959 5.043 30 20 JKED CC(C)Cn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1F 105406622 HIDUBEICENNJTN-IBGZPJMESA-N 491.617 5.832 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)cc2)c1 303173709 JRRPOMNAUHOVHO-UHFFFAOYSA-N 474.567 5.089 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 303357325 PADXRACSUJUUKY-CQSZACIVSA-N 455.992 6.300 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)cc2F)c1 481711865 KEIJGOIJNWKIGP-DEOSSOPVSA-N 483.902 5.674 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482024063 FXLBZWQCFPVPRB-UHFFFAOYSA-N 454.313 5.368 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1-c1cccc(C(F)(F)F)c1 487288994 JPXVGGVYIAWLIR-UHFFFAOYSA-N 467.476 5.371 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCc2nc(-c3cccs3)no2)cc1 488030231 YAEYYRIOCKAHPX-UHFFFAOYSA-N 460.534 5.361 30 20 JKED CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 498005318 AZTPVRYORLZUBE-LEDOBFOHSA-N 467.013 5.544 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 503193120 XJQDPPVMPIRQIP-UHFFFAOYSA-N 458.564 5.513 30 20 JKED CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(OCc2ccccc2C#N)c1 505260279 NXEPRVGYQXBATQ-UHFFFAOYSA-N 495.501 5.645 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 510266634 CMWYYBIGZUECKA-HSZRJFAPSA-N 483.568 5.305 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 511355364 NTJUYDSQTQSZLY-VWLOTQADSA-N 480.395 7.007 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511777417 MXRKYMYIVHMJQL-KMRXNPHXSA-N 481.596 5.270 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n1 512959185 VSELXUMERUWXFR-KRWDZBQOSA-N 459.552 5.600 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 514487412 LEPKPEUGCHKVBZ-UHFFFAOYSA-N 476.540 5.057 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1 515656078 FUJOTCUAFVBGBL-UHFFFAOYSA-N 457.534 5.057 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 516364045 WFYABSKPPFXHCL-INIZCTEOSA-N 480.461 5.921 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 518739217 TXLRTPATIOJSEQ-SFHVURJKSA-N 471.648 5.286 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 519457790 JFVDMMZDEDRFBJ-RUZDIDTESA-N 475.976 5.547 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc1C 519494121 JUXDQNRIQFHBAB-UHFFFAOYSA-N 497.578 5.457 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nnn1-c1ccc(OC(C)C)cc1 520924109 JFCXPXCWUVLJCR-UHFFFAOYSA-N 481.556 5.260 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 521260986 LLDNEJYAYJWJOW-DOTOQJQBSA-N 459.413 5.101 30 20 JKED C=CCN(Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 557053118 RPRODQJCOLEGOK-KRWDZBQOSA-N 484.021 5.678 30 20 JKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nnc(-c3ccc(C)c(C)c3)o2)cc1 589519850 DTYZLQZIXSLIME-UHFFFAOYSA-N 487.585 5.372 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 590186744 MVKYFHHCRKUARD-UHFFFAOYSA-N 473.479 5.459 30 20 JKED N#Cc1cc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)ccc1OCC(F)(F)F 603660514 YWZBXWUEEZXHGJ-CQSZACIVSA-N 460.481 5.521 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 603701213 AGSKAFOSNVTORH-ZDUSSCGKSA-N 487.318 5.316 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 603836620 OPEXMVRBITXLMZ-HNNXBMFYSA-N 457.895 5.269 30 20 JKED N#C[C@@H](Cc1ccccc1)Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 604040759 SKZFDJIGXUKOCU-OAQYLSRUSA-N 469.561 5.082 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(Oc5ncccc5C#N)cc4C)cc3)o2)cc1 604103588 ZIFJWPHHCUZXJQ-UHFFFAOYSA-N 487.519 6.332 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-n4nccc4-c4ccc(F)cc4)cc3)CC2)c1 604534478 JYRWUSYLYASAAW-UHFFFAOYSA-N 493.542 5.041 30 20 JKED Cc1cccc(-c2cccc(CNC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2)c1 608861116 ZXBKVDPLILRHNH-UHFFFAOYSA-N 452.558 5.094 30 20 JKED CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2F)c1C#N 609031711 UJWSEDDEORBKFO-DLPLYFIVSA-N 457.546 5.181 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc(Oc2ccccn2)cc1 609060730 CQEGTAWOHCRQME-UHFFFAOYSA-N 465.509 5.651 30 20 JKED CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609107938 CUKIWMRGGUHELP-UHFFFAOYSA-N 481.549 5.062 30 20 JKED N#C[C@@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc(OCc2ccccc2)cc1 609174034 FDQGSVBNCSXQAT-RUZDIDTESA-N 471.557 5.376 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CC2)c1 609184917 KKTGCZSQUZMXSM-UHFFFAOYSA-N 494.378 5.801 30 20 JKED COc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1NC(=O)c1ccc(Cl)cc1F 609252490 OQRJJWLZJIRJMS-UHFFFAOYSA-N 470.863 5.072 30 20 JKED C=CCOc1ccc(C(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1OC 613939187 LAQMSLTZPHXQCP-GOSISDBHSA-N 462.521 5.071 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2Cl)cc1 615574523 YPNDDUCZICCNTJ-UHFFFAOYSA-N 459.933 6.131 30 20 JKED COc1ccc([C@H](C)NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1F 616019204 QHLSHGMPDWHELR-NSHDSACASA-N 484.368 5.599 30 20 JKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618607788 BTDCGYNQOGDGPM-STQMWFEESA-N 478.364 5.146 30 20 JKED Cc1nc(SCC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c(C#N)c(C)c1C 619464153 PUTWQBIXSBKUOO-UHFFFAOYSA-N 471.051 5.640 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)ccc2Cl)nnc1-c1ccc(Cl)cc1Cl 620334455 OFSIJVHWXVKEIQ-UHFFFAOYSA-N 483.808 5.831 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622093008 SGQPLHFRXXMJOD-RYUDHWBXSA-N 493.261 6.029 30 20 JKED O=C(N1CCC(C(F)(F)F)(C(F)(F)F)C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 622379479 VZOVBWQSSVGKTE-UHFFFAOYSA-N 453.732 5.734 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 640536760 CPFBTRUDQQOIES-UHFFFAOYSA-N 477.589 5.773 30 20 JKED O=C(NCc1cccnc1Oc1cccc(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642792137 PSLUPBCZOUZLJM-FOLVSLTJSA-N 479.396 5.722 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)cc1 726414660 DBPBBPUBDSKPMN-VWLOTQADSA-N 498.608 5.506 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1C 726565643 IXCYELAWBDTIJA-UHFFFAOYSA-N 493.558 5.081 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 728147993 RFAKTBVMIJVRIF-VWLOTQADSA-N 485.971 5.632 30 20 JKED Cc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1NC(=O)c1ccccc1F 728193237 PMBUOZZGQFDQAY-UHFFFAOYSA-N 497.501 6.229 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H](c1ccccc1)N1CCOC1=O 728235868 XRUZLTNJTCPUIW-RUZDIDTESA-N 457.505 5.123 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OCc2cccnc2)cc1 728692081 JULVNFKVNBCSEZ-UHFFFAOYSA-N 470.342 5.782 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OCc3cccnc3)cc2)cc1 728693324 VJYLXHWMLUUEIS-UHFFFAOYSA-N 466.516 5.906 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c(C)c1 729144639 WOJABPIQOUBXLU-FQEVSTJZSA-N 482.606 5.368 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)cc1 729327267 AKMRHQJIMIFBHI-UHFFFAOYSA-N 459.571 5.047 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 729570747 ZXKVMPINSLXIKS-HXUWFJFHSA-N 499.011 5.559 30 20 JKED CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccccc1 729769469 QZXMDTBPAOSGDW-RUZDIDTESA-N 453.498 5.100 30 20 JKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c(Cl)c1OC 730430586 HWWKTFVCIJSINO-UHFFFAOYSA-N 474.369 5.640 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCC1 730461312 BIXQFWAIQLGULF-SFHVURJKSA-N 473.385 5.378 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cocn3)C2=O)cc1Cl 730711721 FSABJELDDGBBBN-NRFANRHFSA-N 482.993 5.414 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Br)cc2ccccc12 731077111 FVOCTXUUSPDITH-HNNXBMFYSA-N 483.387 5.650 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCCOc1ccc(Br)cc1 731288167 QHBVTJPPJSSVOD-IBGZPJMESA-N 453.336 5.380 30 20 JKED COc1ccc(/C=C\C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OCCCC#N 747361617 RWMZXAAPNJROCW-CHHVJCJISA-N 490.581 5.383 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c(C)c1 747601930 WYHDGTFGYAAUNS-HXUWFJFHSA-N 468.579 5.060 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cscn3)C2=O)cc1 747602543 NUDXPZGUVGHRIS-NRFANRHFSA-N 464.616 5.229 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc(Br)c1OC(F)F 750899865 HRMVUHDJBITILF-FPYGCLRLSA-N 452.251 5.248 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC(F)(F)F 799210866 DRYIOEGMECVETQ-OAHLLOKOSA-N 490.334 5.824 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)c1 837641030 UGNGQYWUHRSXDI-DEOSSOPVSA-N 496.652 5.276 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NCc2cccs2)[n+]2ccc(C(C)(C)C)cc2)N=C1C 839412455 CTKVYZGVZUONFD-UHFFFAOYSA-O 468.668 5.328 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2CSC2=NCCS2)c1 913083380 AJAZFSQGZSMPST-IBGZPJMESA-N 481.643 5.132 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)nc21 914531145 UXZFEHIOGQDAKY-SFHVURJKSA-N 484.610 5.482 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccccc2COC(C)C)c1 914546342 NTELDZTYKHQXRW-XMMPIXPASA-N 479.646 5.029 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cs2)cc1OC 915087269 RGYLNKCNZVNMNM-QHCPKHFHSA-N 469.566 5.664 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccnn2CCCC)ccc1Cl 915182084 CMZUNHQZHANUKR-UHFFFAOYSA-N 490.988 5.109 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)S1 915848981 GQMMJFZEQASPCF-MTJSOVHGSA-N 496.419 6.754 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2ccc(C(F)(F)F)cc2)nc1 915950760 CCPPYJZYAXORJH-UHFFFAOYSA-N 462.497 5.152 30 20 JKED CCOc1c(Br)cc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC 916127004 UIQIBIBWWJLXTL-ALCCZGGFSA-N 457.267 5.363 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@H]2CCCO2)c1 916204712 ADOIYLUNRLONCY-WIYYLYMNSA-N 472.010 5.096 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccccn1 916206002 NLXCZRNJODONTM-NRFANRHFSA-N 482.968 5.343 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)c(C)c1 916208016 RDQVYQFWRCRWIW-RUZDIDTESA-N 486.641 5.518 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccccn3)C2=O)cc1 916212675 PNDJIKHOUXIVJO-JOCHJYFZSA-N 492.988 5.098 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(C2CC2)C1=O 916216213 RRTBNNRQLWOYGK-HXUWFJFHSA-N 457.983 5.088 30 20 JKED CCN(CCO)c1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c(C)c1 916273129 SYMHQOZTODDZCT-UHFFFAOYSA-N 481.021 5.096 30 20 JKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2sc(Nc3ccccc3)nc2Cl)cc1 916333324 IZYFYOZGLGNIAH-UHFFFAOYSA-N 478.937 5.571 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1ncnc2sccc12 916368348 MRWNSXLIQAWVID-UHFFFAOYSA-N 464.510 5.096 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 916628051 JWJVRKRPEGWGIS-QHCPKHFHSA-N 452.535 5.605 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916906161 GMFPIWRZSXAKLJ-HSZRJFAPSA-N 454.530 5.417 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cc1Cl 916928582 OFKVBYGFGACGHC-NADMHLTPSA-N 459.329 6.222 30 20 JKED N#C[C@@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 916944888 PJOJJOAUCXQVLT-FQEVSTJZSA-N 493.350 5.270 30 20 JKED Cc1ccc(C(=O)N[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C(C)C)cc1 916977203 MRLDQAHDEKHNAU-FPOVZHCZSA-N 451.979 5.403 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(OC)cc2)n(C[C@@H]2CCCO2)c1=S 917457677 NWBPNSMOXROPAC-DEOSSOPVSA-N 477.634 5.010 30 20 JKED COc1ccc(-c2ccc(/C=C/C(=O)c3ccc(OCc4nccn4C)cc3)o2)c([N+](=O)[O-])c1 917517911 OKAUHIFNEVGBOO-DHZHZOJOSA-N 459.458 5.072 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1[N+](=O)[O-] 917665028 QNKBCRCGIDHHIM-QFIPXVFZSA-N 492.532 5.203 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)cc1F 917687919 XHVYGNYWUYGRQJ-QHCPKHFHSA-N 472.545 5.166 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2C#N)o1 917700027 MULREWVJJCXXFB-WSUBETFTSA-N 498.608 5.113 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1ccco1 917707057 JVJWJFODCFVUBH-XMMPIXPASA-N 480.549 5.465 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)n2)cc1 920141813 RXQZMASXCIOJKE-GOSISDBHSA-N 493.375 6.453 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)n1 920326973 GUPRSBKRWUATHH-WFASDCNBSA-N 475.979 5.126 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3c(C)noc3C)C2=O)c1 920353441 JPSKWTFSHYKARU-XMMPIXPASA-N 490.629 5.686 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c1C 920354024 YCYVLLBCQWMUPD-QFIPXVFZSA-N 462.575 5.069 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc(-c2c(F)cccc2F)cs1 920803770 BXEZNVLSUOUOEL-INIZCTEOSA-N 488.606 6.212 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1C 920893656 YKAUALPZIZOXQL-FQEVSTJZSA-N 484.556 5.203 30 20 JKED N#CCCn1cc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 920905711 VISLQQFIADIWQS-UHFFFAOYSA-N 477.864 5.037 30 20 JKED N#CCc1ccc(NC(=O)CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 921250586 XUMLLCVCRVZPLY-KQWNVCNZSA-N 470.529 5.007 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)CCc5ccc(C#N)cc5)cc4)CCC3)c2c1 1785795762 BHUKIQVUASDELF-UHFFFAOYSA-N 492.579 5.429 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(=O)c5ccccc5o4)cc3)CCC2)c(Cl)c1 1786002762 YXNXLMPUINDJRP-UHFFFAOYSA-N 497.938 5.380 30 20 JKED Cn1c(CC(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)cc2ccccc21 1786032123 IOZLRHSMLUWGQJ-UHFFFAOYSA-N 494.570 5.108 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)cc1 1786036466 CXLFZLSYGBYBSA-IBGZPJMESA-N 453.542 5.118 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1786104420 SKHWZQZRHXTRDV-HSZRJFAPSA-N 481.637 5.288 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)cc3)CCC2)cc1 1786366761 QAXIMFXYJWLGTQ-UHFFFAOYSA-N 487.575 5.618 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)nc(CC)c4)CCC3)cc2)c(O)n1 1787173488 ZHFFEYGCQKKMSJ-UHFFFAOYSA-N 484.600 5.233 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CCOc3ccccc3)cc2)CCC1 1787676324 DRZFIEJNRVQLIE-BUHFOSPRSA-N 474.582 5.090 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(F)c3)cc2)CCC1 1788374097 NDTFFMBUEMTIME-IBGZPJMESA-N 473.548 5.227 30 20 JKED COc1ccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)cc1 1788379768 ZVNBRTLSTRVOIE-UHFFFAOYSA-N 480.568 5.199 30 20 JKED Cn1ncc2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5Cl)CCC4)cc3)ccc21 1789085285 LYEZIPZVUSNXDI-UHFFFAOYSA-N 483.959 5.160 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cnccc5[nH]4)cc3)CCC2)c1 1789360890 RVNQVUHAXMEXJG-GOSISDBHSA-N 463.541 5.251 30 20 JKED Cc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790081613 FOWQEWQAPOGXRW-UHFFFAOYSA-N 450.951 5.038 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790091921 FJTSVFDSQSMKDF-MRXNPFEDSA-N 467.953 5.635 30 20 JKED Cc1cc(C)n2ccc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)c2n1 1790708654 LRDYRERXKUXKEK-UHFFFAOYSA-N 477.568 5.079 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C5CC5)on4)CCC3)cc2)cc(C(F)(F)F)c1 1790785616 WJMCYOZFAMCWIM-UHFFFAOYSA-N 494.473 5.504 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3[N+](=O)[O-])CCC2)cc1 1791252255 KXNDVQLNMVXZHI-QGZVFWFLSA-N 453.564 5.033 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3Cl)CCC2)cc1 1791298958 JIWYKIRFPYRUMC-UHFFFAOYSA-N 462.924 5.237 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CCC2)cc1 1791579902 QBOJRTAOYFQVLJ-PNHOKKKMSA-N 473.436 5.005 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cn4ccsc4n3)CCC2)cc1)c1ccc(O)cc1 1791642805 WBGCICCHDAGHLC-FQEVSTJZSA-N 498.608 5.046 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)c(F)c3)cc2)CCC1 1792186061 ZLCCQPQPYSHZOE-OKCVXOCRSA-N 489.547 5.074 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(N(C)C)c3ccccc23)c1 1797467810 HAKKCUJINLUIJG-OUJCMCIWSA-N 480.612 5.098 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)ccc2s1 1798080186 FJFCRXMTDRVZPH-NKGKWGDASA-N 461.425 5.128 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=CCCC1)C2 1800175507 JRYUZPQKBPOBIX-KIHHCIJBSA-N 489.701 5.379 30 20 JKED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCCCCCCCCCc1ccccc1 1802084626 RKPQFJDCRHFOLM-JYLDTYKTSA-N 481.681 5.023 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cccc4s2)C3)c1 1803678768 IAOBJLOPTBQROU-GEALJGNFSA-N 478.017 5.747 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)ccc3OCC)CC2)C1 1805457525 BOARHJSMQCQCMJ-UHFFFAOYSA-N 459.030 5.352 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)C2)CC1 1805607049 UBNKXBZSHXPZTJ-SFTDATJTSA-N 458.593 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)oc3cc(O)ccc23)[C@@H]1c1cccnc1 1809282732 GKOPVNCNQOBKOZ-NLFFAJNJSA-N 475.589 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1810171379 CNGHEOGLNDTPJN-FBLLAGFSSA-N 485.550 5.117 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c1Cl 1811423632 BMFOCNOOWBCEMN-GJZUVCINSA-N 499.014 5.048 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1813050364 NVCRSLJDLMCSNN-SVEHJYQDSA-N 465.597 5.180 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1813229615 VNZILQCRRCJSFR-BKMJKUGQSA-N 478.036 5.056 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c1 1813869391 FURRABGIOKUQTR-LVWCUCSXSA-N 492.623 5.221 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[C@@H]1c1cccnc1 1814108335 UAJPGRKBDHYRJU-HNPKZYAISA-N 487.550 5.013 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)[nH]n2)C1 1814396356 AKNHEIQJRJWYMA-XMMPIXPASA-N 479.584 5.602 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCOc2ccc(F)cc2)[nH]n1 1814440246 QPURWWKTNRHYQO-NRFANRHFSA-N 456.562 5.002 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)[nH]n1 1814570084 SPUUGEOLXSBRKQ-HXUWFJFHSA-N 494.393 5.181 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCCC2(F)F)n[nH]1)c1ccc(O)cc1 1815353126 OOHVCYAXDULOBY-NWSQWKLXSA-N 498.574 5.130 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)cc2c1 1818115673 IUKBGTNCYXINFY-LCCNJJIFSA-N 487.585 5.006 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1819307643 KDUUZPYFKVICHI-DYESRHJHSA-N 466.969 5.884 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)[nH]n1 1819555378 DDBYHPOVYGXSSP-JOCHJYFZSA-N 460.582 5.098 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)[nH]n2)c1Cl 1820221157 OXCUWRXYFBSXPA-SFHVURJKSA-N 478.965 5.097 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccncc34)[nH]n2)c1Cl 1820221601 YIVOMYSFLGONNA-JOCHJYFZSA-N 484.947 5.103 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)[nH]n2)cc1 1820548342 BCFBKMVSINMNDI-HSZRJFAPSA-N 484.947 5.103 30 20 JKED CC(C)=CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1820809246 XIDDLTSGTZPOPS-JOCHJYFZSA-N 463.582 5.121 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1820971154 ZZHUTRSDLNEXFD-PBHICJAKSA-N 488.013 5.385 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)ccc2OCC)n[nH]1 1821156052 XVCYQCOSLGDKRZ-OAQYLSRUSA-N 471.001 5.536 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2NC(=O)OC(C)(C)C)n[nH]1 1821156507 VYCPDUVBNOAFHJ-LAUBAEHRSA-N 481.597 5.275 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1 1821180816 DPMJRXIMIQCXTB-RUZDIDTESA-N 469.589 5.148 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)[nH]n2)c(Cl)c1 1821274841 PSZATETZMZREIB-GOSISDBHSA-N 488.400 5.198 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)[nH]n2)c(Cl)c1 1821278405 OZBSOERBWLFJDJ-QFIPXVFZSA-N 491.954 5.112 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821279774 IDSWPOVMVRGRRY-OAQYLSRUSA-N 498.370 5.216 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821610384 AXFWLLCWPMDTSH-JTSKRJEESA-N 456.546 5.827 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1822397327 PCAIEFLCSBQDET-KRWDZBQOSA-N 467.784 5.479 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c1 1823130349 PXBINHSOJCWWAI-RUZDIDTESA-N 467.573 5.097 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1823215777 DACLJAAWJBTTBR-RRQZXNHTSA-N 480.572 5.284 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4cccc(F)c4s2)CC3)cc1 1823490668 GWDJVUFWHNMUSZ-QGZVFWFLSA-N 490.585 5.103 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)cc1 1823684294 VQOXTBLXADLGCS-HHHXNRCGSA-N 493.598 5.022 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1823718660 LGMGAXKNIGSSCE-DQJRMYJUSA-N 479.621 5.025 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc(OC)c2OC)CC1 1823753337 JACQGNNSPHURHH-OAQYLSRUSA-N 474.617 5.069 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(Cl)cc1 1823978045 SWHDPQLLORPWJC-IBVKSMDESA-N 478.036 5.443 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1 1824139573 NLNNKNZZLZOITG-VMPREFPWSA-N 491.720 5.287 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCc3ccccc3F)CC2)cc1 1824167279 UFBVDANFMXDCHV-HHHXNRCGSA-N 475.608 5.148 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824247655 ZENUEOAKNOOSDZ-QVKCHMKDSA-N 469.069 5.647 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824829785 JAXTVKAKCFQRHG-BBITVKMKSA-N 468.604 5.743 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1824954597 KEQWGYVCOSBLHB-UHSQPCAPSA-N 494.701 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)CC1 1826000989 SMNSUXNTNCSJRQ-NHCUHLMSSA-N 463.544 5.102 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(C)=O)CC1 1826590758 RPVPWPABYWKKLS-BJKOFHAPSA-N 479.706 5.270 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)ncc2F)CC1 1827851787 GMUOYPGJVJUVTA-FQEVSTJZSA-N 494.449 5.209 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828318601 PWTREJFWMIVXKS-RUZDIDTESA-N 477.725 5.452 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1828906640 YMEVTMSXTDCWMJ-MHZLTWQESA-N 489.736 5.519 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccco3)no2)CC1)c1ccccc1 1829032327 HOYAGHUAKMSUIL-AOYPEHQESA-N 499.611 5.365 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829233225 TZFRWMASGDOITL-TZIWHRDSSA-N 464.437 5.390 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829572913 LEKNZVHLVZAGFG-RUZDIDTESA-N 485.628 5.650 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)ccn1 1829687913 LGCKVIZUZFYNRL-HSZRJFAPSA-N 493.051 5.451 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2Cl)CC1)c1ccccc1 1829862403 IBZDCTIJNUMQFJ-ISKFKSNPSA-N 467.009 5.364 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829958273 DVBKTHHUIRWULT-GDLZYMKVSA-N 494.639 5.513 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c1 1830028544 GSGHTULQIDWVNW-CLOONOSVSA-N 464.009 5.514 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1830102055 XAIVDOPXZVKWSQ-BYUVYSIJSA-N 494.657 5.209 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830275167 UTQBGEYYYIAKIF-RDGATRHJSA-N 480.052 5.274 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1)c1cccs1 1830353734 BKNSGACFPQZUIN-ZGJCWSDFSA-N 468.663 5.243 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)c1 1830356896 SPEORKBADRXIQM-FPYVQNFMSA-N 461.650 5.683 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)CC1 1831293669 NEOCSBJBVIMNSJ-BJKOFHAPSA-N 473.057 5.279 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)CC1 1831303150 FUKISCYHGCMTRT-UIOOFZCWSA-N 482.665 5.025 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1831373346 CMKOLGKIMAGLBO-MHECFPHRSA-N 469.029 5.176 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1)c1ccc(F)cc1 1831751483 IIYVHRRLEDFLAV-TZRRMPRUSA-N 462.675 5.139 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCCCCCC(=O)OC)CC1 1831862138 OOKRAVBQDGHOKW-XMMPIXPASA-N 462.675 5.256 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1)c1ccc(O)cc1 1831926355 RGQVMJNOYCZQIZ-LBNVMWSVSA-N 498.623 5.569 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 1832030497 RBFVQEHCWSEBAD-QFIPXVFZSA-N 464.528 5.012 30 20 JKED C[C@@H](Cc1ccco1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832280113 PWNHIQFFZCADAE-WIOPSUGQSA-N 470.730 5.129 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832632409 PJWQRNYYWCHFHU-AFMDSPMNSA-N 499.611 5.621 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c1 1832634648 SWAGDIMKSGDKDF-FQRUVTKNSA-N 469.585 5.607 30 20 JKED Cc1cc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1832635802 SPNFOTVCAAGJHT-AFMDSPMNSA-N 479.571 5.447 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1832830094 YIYSEMLOWUOOHR-RDGATRHJSA-N 480.052 5.274 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccccc4o3)CC2)CC1)c1ccccc1 1838227300 KHOGFPLGYOKQQO-MHZLTWQESA-N 498.623 5.242 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C3)c1 1846828925 UYLIUOUIJZIABT-CQSZACIVSA-N 493.888 5.256 30 20 JKED O=C(CCCC(F)(F)F)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C(F)(F)F)c(F)c1Cl 1848014929 CTORAINJVYDFTR-STQMWFEESA-N 474.804 5.046 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Br)c2)cc1 11085133 OZNNEMQVOJQCRD-UHFFFAOYSA-O 494.478 6.229 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)n(-c2ccccc2)c1C 11117838 IWUBEFHYNIWRAE-UHFFFAOYSA-N 474.517 5.024 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2cccc3ccccc23)[n+]2ccc(N(C)C)cc2)c(C)s1 11127626 JXQMTDPTCCAKPM-UHFFFAOYSA-O 460.648 5.923 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc2c(c1)CCCC2 14871914 QLHWGSBWEKQLEJ-UHFFFAOYSA-O 456.056 6.181 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1ccccc1)c1cccc(Br)c1 15247673 KIGFWXRBBJTVKE-UHFFFAOYSA-O 491.228 5.550 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccccc1 21754616 UPJOYLVQPBABEP-RUZDIDTESA-N 472.589 5.610 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 23939783 VOIJOGDSSYPTNS-GOSISDBHSA-N 499.036 5.372 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 32457459 ZXNZCGHIQJGVSU-LJQANCHMSA-N 473.335 5.119 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F 32789410 DUKURNYSJRBEQJ-UHFFFAOYSA-N 466.916 5.458 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 32819645 CJQHJWSVBKLBOL-QFIPXVFZSA-N 464.610 5.193 30 20 JKED N#Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)ccc1OCC(F)(F)F 107878425 VGYSIDLRRZCGAV-KRWDZBQOSA-N 486.277 5.049 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1nc2cc(Cl)ccc2s1 195664153 LHAUJTBIHRLQQV-OAHLLOKOSA-N 494.425 5.268 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)cc1 216174142 GZUVMWFRAPKLCS-UHFFFAOYSA-N 488.897 5.201 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)nnc1-c1ccccc1F 218660682 DCNHWQPEWKYYST-HNNXBMFYSA-N 467.595 5.019 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccs3)CC2)c1 303196305 GMOPCEBWPRVPLG-UHFFFAOYSA-N 454.555 5.156 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc3ccccc23)cc1Cl 410397363 HPYKJDQALHBHND-DEOSSOPVSA-N 453.929 5.404 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl 487062019 ORWWYRBUJKSFKF-OAQYLSRUSA-N 460.921 5.756 30 20 JKED O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 498320061 SCKWEBWBDDMWHR-UHFFFAOYSA-N 491.348 5.186 30 20 JKED CCc1nc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)nn1-c1c(Cl)cccc1Cl 499451763 BCOFIZBHDANNEJ-UHFFFAOYSA-N 482.293 5.213 30 20 JKED C=CCc1cc(CNC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)cc(OC)c1OC 499610424 CNLTYBJATLAXDW-UHFFFAOYSA-N 495.626 5.561 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2F)o1 501165025 UWYAXQHBBSKIQU-UHFFFAOYSA-N 457.480 5.966 30 20 JKED Cc1cccc(Oc2ccc(NC(=O)Cn3cc(C#N)c(=O)c4cc(Br)ccc43)cc2)c1 502818567 RSIHZEAWHPEBAL-UHFFFAOYSA-N 488.341 5.375 30 20 JKED C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 503704717 YZOFJWDHNAGOJT-RUZDIDTESA-N 469.585 5.715 30 20 JKED CC(C)CCN(CCC#N)C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 505193498 MECXJVRMYLMSQB-UHFFFAOYSA-N 468.406 5.196 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)cs1 506529362 HWRCFNSTSFFKEA-INIZCTEOSA-N 487.585 5.332 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)cc1 508141784 HMTFERCMWJIVFW-UHFFFAOYSA-N 468.479 5.266 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1 508289561 PEUBDHZNKKOOEQ-UHFFFAOYSA-N 493.523 5.328 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1Cl 510004071 CWEYMZZTWFXGQP-QHCPKHFHSA-N 475.936 5.258 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 510237040 DARHXAAQJAALMS-UHFFFAOYSA-N 486.528 5.688 30 20 JKED CN(C(=O)c1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1Cl)C1CCCCC1 511037902 LDWDSFSHICJNEW-UHFFFAOYSA-N 494.039 5.361 30 20 JKED C[C@H]1CCCCN1Cc1ccccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511416637 UOKFWXAMWWMQSA-QHCPKHFHSA-N 482.628 6.028 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511529054 OMEQCLOVRDLVNM-UHFFFAOYSA-N 453.329 5.781 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513202283 QBQWAUGRYMAPLB-AWEZNQCLSA-N 460.868 5.953 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 513388147 KGLUXKAFWRVCOX-UHFFFAOYSA-N 477.530 5.981 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC(F)F 513877150 WALBNTRJMOPCGL-UHFFFAOYSA-N 453.445 5.325 30 20 JKED C[C@@H]1CCCN(Cc2csc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)n2)C1 513948652 OSLJRHMDNFELCX-LJQANCHMSA-N 477.609 5.620 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 513990409 VUFYBBZWBBWLQZ-UHFFFAOYSA-N 470.407 5.441 30 20 JKED C[C@H](c1ccccc1)n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccccc1 515573024 DNEMAWZFTQQRFF-LJQANCHMSA-N 453.571 5.351 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(Cn4ccnc4)cc3)cc2Cl)cc1 515800298 TURKMKRPUVXVDT-UHFFFAOYSA-N 457.921 5.570 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3c(C)noc3C)n2)cc1 516713830 KLVZAKNPLKAVAU-FQEVSTJZSA-N 475.595 6.206 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nn(-c2ccccc2)c2c1CCC2 517451456 GZUNLAFVKAHMTQ-GOSISDBHSA-N 462.644 5.627 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)C4CCCCC4)c3)n2)cc1 517801054 WNAKDCBTPAEOEB-QFIPXVFZSA-N 454.555 5.691 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)o1 518870935 MXASEZRAVXXIGE-HNNXBMFYSA-N 466.465 5.759 30 20 JKED CCCOc1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c([N+](=O)[O-])cc1OCCC 519186647 KWTQLZUTUGBGDX-UHFFFAOYSA-N 482.537 5.119 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 519433130 STBBGAJWYVVNKV-UHFFFAOYSA-N 450.442 5.446 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 520011703 FFFYTVKZEHFCPW-UHFFFAOYSA-N 494.588 5.192 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 520200728 QNCWEOQXYRTZBS-LPHOPBHVSA-N 450.589 5.525 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)cc1 523634302 PIXMDEYRSUFHTM-IBGZPJMESA-N 457.530 5.134 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(=O)Nc1cccc(N2CCCC2)c1 523699872 RQTVBFMOSBQOPX-NRFANRHFSA-N 497.599 5.081 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c3c(C)noc3n2)c(C)s1 524554364 FQAUTYJNCQDOEH-UHFFFAOYSA-N 472.570 5.432 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)cc3)n2)cc1 556583345 HEMRFQZQTXQOLL-ROKPMTFOSA-N 487.625 5.777 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C)n(Cc2ccccn2)c1C 560143861 AYKWYKPRSPAJCB-UHFFFAOYSA-N 450.542 5.560 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586792078 FJWVOKABLYXCOS-QLPKVWCKSA-N 495.439 5.964 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(Cc4ccc(C#N)cc4)CC(C)C)cc3C2=O)c1 603530301 KCPCONIXMCJZBV-UHFFFAOYSA-N 465.553 5.274 30 20 JKED N#CCCCOc1cccc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 604044557 VRQDJLGNYMDNQB-HSZRJFAPSA-N 453.464 6.180 30 20 JKED C[C@@H](Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 604126515 DHGUKTYURUEIHE-CQSZACIVSA-N 482.993 5.826 30 20 JKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(NC(=O)Nc2ccccc2)cc1 608811888 UMERGJHIYXDTHC-IBGZPJMESA-N 480.524 5.865 30 20 JKED CC(C)(C)[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 608920345 SRJQDOLDMXNUPB-QFIPXVFZSA-N 486.538 5.725 30 20 JKED CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)c1C#N 609031720 UJWSEDDEORBKFO-OREJSRFESA-N 457.546 5.181 30 20 JKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC(F)F 609062243 IBCVJKBONRTVEJ-UHFFFAOYSA-N 458.848 5.653 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)c1 609078534 XAMOBROPCPEJQO-UHFFFAOYSA-N 482.584 5.134 30 20 JKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609079106 IXFAXCAKCNTULO-XMMPIXPASA-N 455.558 5.693 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)s1 609173083 LHNJZXQGGDZIPW-NRFANRHFSA-N 459.596 5.683 30 20 JKED CC1CCN(C(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)CC1 609207988 RGDJXVBMKLQMDB-UHFFFAOYSA-N 495.023 5.293 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OCc2ccc(F)cc2)cc1 609439978 XUEPQEANSGSTSJ-MOPGFXCFSA-N 491.588 5.615 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1 619342985 SCECHJWIFHHBQK-UHFFFAOYSA-N 493.405 5.335 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 621799390 SAQCFYGCKIWYNO-GASCZTMLSA-N 494.407 6.008 30 20 JKED CCN(C[C@@H]1CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1)CC(F)(F)F 622410996 YCDFKPBEQIBPBR-HNNXBMFYSA-N 476.436 5.858 30 20 JKED C=CCN(C(=O)c1csc2ccccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 670839422 FXUAYPMWEZZOIO-UHFFFAOYSA-N 454.598 5.261 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cccs2)cn1 726113045 PYSGFJNJNHVQBN-LJQANCHMSA-N 488.038 5.087 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 726321055 CUTMPEVZIFIZNI-KRWDZBQOSA-N 473.476 5.118 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 726322392 SUSRJCKGBALIQY-RTVSZFGFSA-N 498.608 6.216 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@H](C)OC)c1 726393725 QWYOMYZQCPVTME-CVDCTZTESA-N 467.635 5.251 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC(C)C)cc1 726414573 CCCCOKBTTOSKQJ-XMMPIXPASA-N 491.613 5.234 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@@H](C)c3ccccn3)C2=O)cc1 726421643 RGXRWLOAMIJLGT-XLJKYJRHSA-N 478.643 5.603 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@@H](C)c1cccs1 726421703 OTGXODURJVLQKG-OJMJRNKJSA-N 499.580 5.193 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccc(C(CC)CC)cc2)c1 726573660 OVOUHSADPCPXEU-UHFFFAOYSA-O 496.483 7.489 30 20 JKED CC(C)(C)Sc1ccc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 726847252 ZZFXOXBBZRDBGT-UHFFFAOYSA-N 451.552 5.051 30 20 JKED Cc1csc(Nc2cccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)c2)n1 729334132 JNVJAHQJXFNQBJ-UHFFFAOYSA-N 499.621 6.050 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cc(F)ccc2F)C1=O)NC1CC1 729630855 DYISHYYZWVOIRS-GOSISDBHSA-N 484.355 5.072 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ncccc1C 729630896 FNAUMKSILXOXFQ-QFIPXVFZSA-N 480.540 5.137 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(C2CCC2)C1=O 730459481 JVCQYCOASCOPJE-JOCHJYFZSA-N 451.592 5.331 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CCC3)C2=O)cc1 730459496 JYHVFJKQJZFEMH-LJQANCHMSA-N 486.569 5.386 30 20 JKED Cc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c3c2CCC3)c(C)c1 731077766 JZLDTJNNUJVSAA-LJQANCHMSA-N 488.613 5.168 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 731307336 HHENXVJEBSSPQV-ZHRRBRCNSA-N 495.626 5.492 30 20 JKED CC(C)CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731308292 YUBBTNMXWDEYST-NRFANRHFSA-N 490.025 5.069 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccco2)cc1 731309159 UDNJKYRZDXDBTE-QFIPXVFZSA-N 463.559 5.269 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(CCc2ccc3ccccc3n2)C1=O)NC1CC1 743513669 YNPZFRMTCFTKJK-SANMLTNESA-N 494.620 5.231 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCc3nccs3)C2=O)c1 747599604 KUOIVZVUZJHQKW-QFIPXVFZSA-N 492.670 5.580 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4sc(-c5cccnc5)nc4C)c23)cc1 747611831 PSURTAALGRJOJP-UHFFFAOYSA-N 472.599 6.030 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4cccc(N5CCOCC5)c4)c23)cc1 812437271 ULTWYGDTMOSXDE-UHFFFAOYSA-N 459.575 5.040 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1C 837300037 QQMMBQUVRXUMBX-XXBNENTESA-N 458.587 5.420 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 837747595 XHHPVRIMPJJAKK-YCRPNKLZSA-N 482.968 5.596 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccccn2)cc1 838061373 NIHUEIPGIHECJE-OAQYLSRUSA-N 498.967 5.043 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(C)C)cc1 914600545 ASJVMNXPYSAZLP-XMMPIXPASA-N 479.646 5.147 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(F)cc2)o1 915110707 ALHFGAGUBSZLCZ-NRFANRHFSA-N 487.503 5.208 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cnc(-c3ccccc3)s2)n(Cc2ccc(F)cc2)c1C 915550421 UIRMJXKQAPDGSY-UHFFFAOYSA-N 488.544 5.083 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(OCc2ccncc2)cc1 915945130 XYVCPDOJIWFYCI-UHFFFAOYSA-N 486.984 5.943 30 20 JKED O=c1c(C=NNc2cccc3ncccc23)c(Sc2nc3ccccc3s2)nc2ccccn12 915964935 WCZIXXJDTNZGAW-UHFFFAOYSA-N 480.578 5.450 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccc(C#N)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 915991894 JWBKLUFRKPITCP-VURMDHGXSA-N 486.480 5.207 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(F)F)cc1 916209542 MRKRTPQEHSHITJ-LJQANCHMSA-N 461.534 5.275 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 916216825 ZPFMCKATWSGSPC-OAQYLSRUSA-N 474.026 5.344 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 916679287 MUGFHCJDLPTNNL-NDEPHWFRSA-N 453.586 6.541 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916905517 KYUXNCZIXBBHIS-MRXNPFEDSA-N 452.898 5.149 30 20 JKED N#C[C@@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)C(=O)Nc1cccc2ccccc12 916916211 PYSXBSFNALMALO-QHCPKHFHSA-N 474.520 5.116 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946371 SHKTYXANOAJYMK-QGZVFWFLSA-N 498.313 6.026 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)n2)cc1 916974613 NXDXJCOGRGYXRN-AZUAARDMSA-N 481.524 5.201 30 20 JKED N#C[C@@H](C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 917026436 ZCXQBNBCCQKQPK-HNNXBMFYSA-N 460.437 5.416 30 20 JKED N#C[C@H](C(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)c1nc2cc(Cl)ccc2s1 917043772 NFEYFXWWEAJHHM-GFCCVEGCSA-N 487.031 5.258 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1=S 917458078 RRZXENRDHGXHHN-QFIPXVFZSA-N 486.645 5.483 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cs1 917559074 DPOSCLHSWLNVBM-POHAHGRESA-N 465.550 5.008 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cs1 917559714 MWTYRHWYEHXBEV-WEVVVXLNSA-N 485.968 5.353 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3ccnc(C)n3)C2=O)cc1 917666343 QTOYBPDBCSGRBD-JOCHJYFZSA-N 494.020 5.216 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccsc3)C2=O)c(OC)c1 917669799 WHKXWLQTXYLWLS-QFIPXVFZSA-N 495.626 5.234 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1OC 918174107 RDOATORULHSLHN-XFFZJAGNSA-N 452.894 5.411 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)n1 919745727 ITUDGMVZXJQQJO-UHFFFAOYSA-N 486.626 5.055 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 920106539 RLDSUHAVSNPMOI-LBPRGKRZSA-N 487.031 5.533 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2c(F)c(F)nc(F)c2F)cs1 920364649 BNNLPFFQYBMCBQ-UHFFFAOYSA-N 477.365 5.244 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 920676538 YNQQGSTYXDQYRJ-DAIAYTDJSA-N 452.001 5.001 30 20 JKED C#CCNC(=O)c1ccccc1NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 921162804 RYMLCNSIADUYGS-KNTRCKAVSA-N 496.548 5.137 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4c(Cl)cccc4s3)C[C@@H]21 1783540532 DICNQPDEOUHMLT-QRFRQXIXSA-N 475.054 5.140 30 20 JKED Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)S)CCC2)cc1 1786308977 YCSOFEUQBGRBTC-GCJKJVERSA-N 497.661 5.013 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1786362700 TVVBBUSLCIWSNO-IBGZPJMESA-N 481.552 5.214 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ncc(F)cc3F)cc2)CCC1 1786533643 YPUPZCATRBSTGV-UHFFFAOYSA-N 469.608 5.159 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc(Cn5ccnc5)cc4)cc3)CCC2)C1 1786786108 KTPKTVRMOGGEAQ-KPKJPENVSA-N 466.585 5.045 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1 1788339977 AGGBNYFSZIBDHZ-CMDGGOBGSA-N 471.538 5.076 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4nccc5occc45)cc3)CCC2)c(Cl)c1 1788341242 BXPDQQBLDHNKJP-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(F)c3)cc2)CCC1 1788374098 NDTFFMBUEMTIME-LJQANCHMSA-N 473.548 5.227 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)cc1 1789371130 MQMDFEXUZQJCTQ-UHFFFAOYSA-N 454.555 5.357 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3C(F)(F)F)CCC2)cc1 1790566537 WIQASLDXFZOHLS-INIZCTEOSA-N 461.484 5.254 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)c1 1790766259 QWEHIFNYYLHSCO-VWLOTQADSA-N 453.464 5.191 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5oc(-c6ccccc6)cc5[nH]4)cc3)CCC2)CCC1 1790946444 FGLXDOCKYQHHET-UHFFFAOYSA-N 478.552 5.869 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccnc4c(O)cccc34)cc2)CCC1 1790977441 NXBUNYHMWHMKOF-OAQYLSRUSA-N 455.558 5.457 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)cc2)CCC1 1790994657 RPWXTQYSSXHIDJ-UHFFFAOYSA-N 496.592 5.455 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791250383 QRTKNSFGSHEDOB-LEWJYISDSA-N 497.680 5.616 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cn(C)cc3C(F)(F)F)CCC2)cc1 1791299399 HHYLRRVXDWVCMQ-UHFFFAOYSA-N 455.427 5.003 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCCn4cccc4)cc3)CCC2)c1Cl 1791901934 NRDYATDNIODSAV-UHFFFAOYSA-N 460.965 5.241 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4OCCO5)CCC3)cc2)c1 1792123617 MSXYDRCCVBRMDG-LJQANCHMSA-N 481.552 5.146 30 20 JKED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc2ccccc2c1 1796513619 VUCQYMWGTGINCU-LNEBKTTKSA-N 473.642 5.108 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 1797779252 NRTILOOCGJURKF-ZVPUFOINSA-N 461.993 5.023 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3cccc(Cl)c13)C2 1798420360 JYBIBATUSLOUMB-REPLKXPHSA-N 470.089 5.124 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCC(=O)OC(C)(C)C)C2 1798591867 MOWFSCNOJXYZIQ-KOUNCHBCSA-N 462.675 5.299 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2nc(-c3ccccc3)ccc12 1799101691 TWMXSPZHQSUZBY-KOUNCHBCSA-N 470.617 5.474 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CC#N)cc1)c1ccc(Cl)cc1 1800543938 ZZMRMXHXLSPFHJ-ZFFYZDHPSA-N 464.009 5.098 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3CSc3ccccc3)[C@H]2c2cccnc2)C1 1802414187 YRYHWHBWHPFUJF-LXFBAYGMSA-N 497.664 5.660 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@@H]1c1cccnc1 1803084170 OSYXUCAMIILPTG-JROWUHHQSA-N 498.627 5.059 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1803091409 NIRCLLRGLHBGKR-BVAGGSTKSA-N 473.642 5.693 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1803091447 NJDQCHUUVWHNKD-IXCJQBJRSA-N 486.660 5.160 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2CCCC3)cc(C(F)(F)F)c1 1803701608 LZWMJJPKKJKSAP-KOUNCHBCSA-N 481.518 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1804000270 OAGLRPPNXIGAMS-HOYWAMICSA-N 499.577 5.812 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc(C)cc23)[C@@H]1c1cccnc1 1804374495 HQZDJBODRYUNPX-CUNXSJBXSA-N 472.633 5.112 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(C(C)(C)C)c3)C2)CC1)c1ccc(O)cc1 1807457035 HLRVSVOBMKAKFG-QHCPKHFHSA-N 489.660 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@H]1c1cccnc1 1809499272 CTLLKUSNHRTJCT-WWUPIGTESA-N 498.627 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1810175210 XMLZVQKISRFDQF-BPYKYCOYSA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810184041 ZYTDYYACJXDFMX-GZGNHOFSSA-N 485.550 5.117 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)C2)CC1 1810245553 IGBJXGSMJITEEX-SFHVURJKSA-N 469.029 5.096 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1810500071 LFXYMEPYQRPBIV-RPLLCQBOSA-N 482.628 5.456 30 20 JKED Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c1Cl 1811426374 VFRGIVNMAISULC-YADARESESA-N 493.394 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1812259585 ISXKOAYGKPRZGG-NLFFAJNJSA-N 491.035 5.595 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)[C@H]1c1cccnc1 1812591039 YFYQPAKSUXVPIK-ZKFXMYHUSA-N 485.628 5.015 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1812683169 KVMZFFFAPNSVHL-BJKOFHAPSA-N 479.502 5.187 30 20 JKED Cc1c(F)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814608654 XOVWECZNFNPPAT-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)[nH]n1 1814829837 XNGFVNLZBUSNET-GOSISDBHSA-N 462.381 5.186 30 20 JKED Cc1cnc(Cl)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1816622315 CCKHVEFPIYNNEA-KKSFZXQISA-N 476.968 5.013 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1Cl 1818114405 YLUROGGVXUCSJB-YXBWYFRISA-N 482.993 5.178 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4cnccc4c3)n[nH]2)c1 1818646409 DQSRTIVQSCXMDL-CJAUYULYSA-N 478.556 5.205 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)cc(OC)cc2C)[nH]n1 1819308939 ITPASPSVSGBFKM-RBBKRZOGSA-N 450.583 5.109 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccsc2)[nH]n1 1819385319 NAMCLEWHOYLOMU-NRFANRHFSA-N 470.715 5.147 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820962364 DWNONABCZYPNOA-JOCHJYFZSA-N 486.657 5.278 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1821985857 KBHHUHREUXBLLZ-QFIPXVFZSA-N 479.531 5.297 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1)c1ccc(O)cc1 1822021180 LJOFSRMEQXAXHR-AIFWEEIASA-N 488.632 5.131 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)[nH]n1)c1ccc(O)cc1 1822465464 SZZVTFGCQFQKMX-IEIRFRATSA-N 498.574 5.130 30 20 JKED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1cccs1 1822707649 OTPWTWVNBROEPD-KDOFPFPSSA-N 467.982 5.106 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4scnc4c3)[nH]n2)c1 1823214119 AIBKFTRQTWERML-OPAMFIHVSA-N 484.585 5.266 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cnc2C)CC1 1823750406 IVIBOFZRNGFRRG-QFIPXVFZSA-N 490.486 5.378 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)CC1 1823750623 CLNGEGBKJFVKIJ-GOTSBHOMSA-N 489.701 5.068 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 1824050674 GVOBUXCAWMTSDH-RUZDIDTESA-N 481.999 5.217 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824267715 IOSOPSDMUVMSPQ-HHHXNRCGSA-N 496.692 5.660 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1824961950 AXMHNIPYZWHXRU-FQEVSTJZSA-N 473.441 5.285 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825572729 MDSMLJRNUXSHPB-SANMLTNESA-N 481.612 5.037 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)CC1)c1ccccc1 1826442831 JVJCHPJLRXTOJW-WUFINQPMSA-N 490.619 5.021 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1 1827732900 QCCDHINQOCKHCC-NRFANRHFSA-N 465.981 5.137 30 20 JKED COc1cc(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828906932 QFYRKRLLABLDAC-SANMLTNESA-N 482.741 5.288 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCCn3cccc3)CC2)c1 1829039082 VFCQRAKIBQSYHV-WNCULLNHSA-N 474.649 5.219 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830536702 PJZRKBQPKXEGAF-KKSFZXQISA-N 486.962 5.183 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCCC3)CC2)ccc1Br 1830685460 LSDNMZDFWJEALO-QHCPKHFHSA-N 486.454 5.134 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccccc3o2)CC1)c1ccccc1 1830851920 UBICCWLTYXSVEH-AZGAKELHSA-N 483.612 5.258 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1831373344 CMKOLGKIMAGLBO-KOSHJBKYSA-N 469.029 5.176 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1831447404 MCAGLTISTXSFKO-LJQANCHMSA-N 476.461 5.289 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1831589767 IXVXEASJWDCRIQ-WOKXFPNESA-N 492.019 5.167 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)c1Cl 1832561922 KOJUSDYHCQDEAR-LJQANCHMSA-N 450.410 5.085 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 1832633881 OPGCEAUSBJGRSN-CJAUYULYSA-N 465.544 5.139 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cc3cccc(F)c3)cc2)CC1 1832829781 JGNVWQIRKCPEOS-HHHXNRCGSA-N 460.593 5.063 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 9838752 XCAZJTBPEFBXFJ-OAQYLSRUSA-N 456.976 5.278 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(Cl)cc1Cl 11078044 HELVVONRYLGDQH-UHFFFAOYSA-O 460.406 5.903 30 20 JKED C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccc(OC)cc1 11390198 PQJUONUJYYZZSP-UHFFFAOYSA-N 456.571 5.684 30 20 JKED Cc1cc(C)c(Nc2nnc(SCC(=O)[C@@H](C#N)c3nc(C)cs3)s2)c(Cl)c1 16328524 LFYFVHVDTNGRIC-GFCCVEGCSA-N 450.014 5.285 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NCc3ccccc3)s2)n(C2CCCCC2)c1C 16615862 LKDDVYQKTLQZCN-UHFFFAOYSA-N 480.663 5.676 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)n1 16743531 AWUWDDNMBBVPOE-QGZVFWFLSA-N 473.526 5.543 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 20052911 MOXLTHVBKTUSBP-UHFFFAOYSA-N 451.983 5.510 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)NCCc2ccc(OC)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22803197 QAAQLNCFVXVYGA-UHFFFAOYSA-O 473.662 5.195 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2cccc(OC)c2)nc2scc(-c3ccccc3)c2c1=O 23404456 WIMMSNWFESSOSJ-KRWDZBQOSA-N 491.638 5.117 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 24034553 VJGIVAHTYLMMTF-VWLOTQADSA-N 477.948 5.119 30 20 JKED C=CCn1c(SCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)nnc1C1CC1 45417281 LBCUWLURMAHDBA-NRFANRHFSA-N 489.066 5.197 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 72025282 VUSOEGYXSLZURE-UHFFFAOYSA-N 498.589 5.798 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1 255067029 GMZDVOWUVWZYEG-NRFANRHFSA-N 469.513 5.335 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)cc1 255325960 PESMOPFMUPZSJW-QHCPKHFHSA-N 494.567 5.644 30 20 JKED C=CCn1c(S[C@H](C(N)=O)C(C)C)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 303117102 MFDANDJKITWBBW-QHCPKHFHSA-N 457.603 5.257 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1cccc(C)c1 303175514 ZHQDYLMKAGEGGK-UHFFFAOYSA-N 489.626 5.484 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1cccc(C)c1 303283310 KSIQAGSLODXLTQ-SFHVURJKSA-N 463.632 5.422 30 20 JKED Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 486016225 LVYVCIRNFJWSBP-UHFFFAOYSA-N 453.542 5.318 30 20 JKED Cc1cc(C)n(-c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cn2)n1 487391990 YLWCMTBIBGUNLK-UHFFFAOYSA-N 482.491 5.074 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)n2)cc1 499600115 KIXQYMKUWCFJNQ-MRXNPFEDSA-N 454.433 5.677 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500026990 HGHPPWOKBOVHCB-UHFFFAOYSA-N 480.018 5.216 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CS[C@H](C)c1nc2ccccc2[nH]1 501148071 LKVZLKJNBNQPRX-GOSISDBHSA-N 458.562 5.910 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)c2)cc1 501477894 KBBBLSISPMDMHU-UHFFFAOYSA-N 482.565 5.222 30 20 JKED N#Cc1ccc(OC2CCN(C(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)CC2)cc1 504742913 STBRILQIJIXLRX-UHFFFAOYSA-N 480.490 5.324 30 20 JKED CC[C@@H](C)n1c(SCC(=O)N(Cc2ccco2)c2ccccc2C#N)nnc1-c1ccccc1 505025158 QRPOULPVMKAEEH-LJQANCHMSA-N 471.586 5.706 30 20 JKED C=CCN(CC=C)C(=O)Nc1ccc(NC(=O)c2ccccc2I)c(C)c1 507761509 XAPSCTCDTGVGPR-UHFFFAOYSA-N 475.330 5.058 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)c2C#N)C1 508776238 ACOKMRXEDCMSEX-JLAWEPINSA-N 455.668 5.574 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c2)cc1 509890208 JTCKREVKUZVCIK-DEOSSOPVSA-N 461.587 5.606 30 20 JKED CC(C)(C(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1)c1ccccc1 510694703 ZVEUVESVNUZFRE-UHFFFAOYSA-N 468.557 5.004 30 20 JKED C[C@H]1CN(Cc2ccccc2CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H](C)O1 511423533 ZTILHURNNBMNIH-ZRZAMGCNSA-N 498.627 5.263 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccccc2OCc2ccc(Br)cc2)nc2ccccc21 513647362 HDYCXSDFRZRPOZ-LJQANCHMSA-N 460.331 5.405 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1nc2ccccc2s1 514434853 GZPITDRGVQDNAN-AWEZNQCLSA-N 486.022 5.426 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 515043494 JKIDQKOTJXHGIK-UHFFFAOYSA-N 459.893 5.329 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)s2)cc1 515797118 FZZZXFQOHXBFAJ-LJQANCHMSA-N 453.568 5.080 30 20 JKED Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)c1 515826760 XYOWUGVTHUGFDL-UHFFFAOYSA-N 498.564 5.416 30 20 JKED CN(C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2)c1cccc(C#N)c1 516369339 RZUWSXIQSJTTAG-MOSHPQCFSA-N 459.505 5.599 30 20 JKED N#CC1(C(=O)Nc2ccc(F)c(NC(=O)c3ccccc3I)c2)CCCCC1 516393692 RSQJZOANSKBJOX-UHFFFAOYSA-N 491.304 5.095 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccnc1Sc1ccc(Br)cc1 518148027 NDCIVUXXTRRMNE-OAHLLOKOSA-N 484.444 6.499 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 519874624 NCRRQHNCYLQIFO-XQNSMLJCSA-N 494.576 6.222 30 20 JKED C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 520553537 GLYDMVDWFNGYBY-SBUREZEXSA-N 499.478 5.021 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 521333522 KPBKWOSUBFXCFI-SIKLNZKXSA-N 482.609 5.449 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Cc3ccc(NC(=O)c4cc5ccccc5o4)cc3)CC2)c1 521514965 GBPRQJAZBZUVPD-UHFFFAOYSA-N 479.536 5.169 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCNC(=O)c1ccc(F)cc1F 521734449 OUBXCMMVWGPXJE-UHFFFAOYSA-N 471.451 5.138 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCc3ccc(Cn4cnc5ccccc54)cc3)o2)cc1 524133968 DFPDWTSWLBNOKA-UHFFFAOYSA-N 462.509 5.058 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccsc3)CC2)cc1Cl 533808911 VDCWUFPKZYQMON-JOCHJYFZSA-N 450.995 5.407 30 20 JKED CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1SC[C@@H](C)C#N 553319632 UTFIGGHUKVPHCM-LJVXEDPOSA-N 453.652 5.234 30 20 JKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 589679776 PZFFGLHBRPAJAK-KBPBESRZSA-N 462.356 5.509 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)cc1 603764867 PNYKSKVKZVDBLO-UHFFFAOYSA-N 474.420 5.403 30 20 JKED COc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1NC(=O)c1cccc(F)c1 603897328 NMSIUJHKUDJYTH-UHFFFAOYSA-N 485.471 5.383 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nnc1-c1ccco1 604027034 XUABVMAJBPAPPV-UHFFFAOYSA-N 479.949 5.606 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c2nccn2C)cc1 604088398 QRBWSLREKAUZBW-XMMPIXPASA-N 487.947 5.657 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2cccs2)cc1 604138796 JHIOZTBDQHSXDW-AREMUKBSSA-N 496.592 5.775 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604138862 PUTILUSXXFGMHD-UZUQRXQVSA-N 461.949 5.210 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 608876419 LPDFGPSDHBLSAD-QHCPKHFHSA-N 476.964 5.491 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)nc1 608994682 PVNAJYLOLQRPIK-QHCPKHFHSA-N 470.964 5.053 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)c2)cc1 609202772 VDWBBCZQOUEZFC-UHFFFAOYSA-N 456.527 5.121 30 20 JKED O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F)c1ccc(C#Cc2ccccc2)cc1 611897384 NZUYJHRAHLBSAW-XMMPIXPASA-N 478.470 5.475 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 613154337 UQHGDTZQRZOGQN-UHFFFAOYSA-N 469.541 5.164 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(C)C 613346372 HSEQIFMIJRHFJW-MRXNPFEDSA-N 461.370 6.403 30 20 JKED C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613402596 DFZGLUTXMGYYRU-RDTXWAMCSA-N 474.007 5.003 30 20 JKED Cc1c(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cnn1-c1ccc(F)cc1 616335917 REARJGWVUUQUFO-UHFFFAOYSA-N 491.363 5.454 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(F)cc1 619097197 MUEUFRSYKCUAAD-ROUUACIJSA-N 460.578 5.781 30 20 JKED C=CCN(C(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1nc(-c2ccccc2)cs1 641902385 YKUJUQKKMQJMED-SQJMNOBHSA-N 479.602 5.059 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(O)c2)c1 641949991 CPXZKUNDNFBACG-UHFFFAOYSA-N 476.476 5.045 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 642299837 YUGMGTNMZYVEEL-UHFFFAOYSA-N 495.958 5.600 30 20 JKED COc1ccc(C(C)=NNc2ncnc3c2oc2ccccc23)cc1CSc1ncccn1 725845359 ZOPJTCDSPYKEGQ-UHFFFAOYSA-N 456.531 5.303 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2[C@@H](C)c2cccnc2)cn1 726118398 MNWGOPUKQRKMJG-UUOWRZLLSA-N 498.612 5.173 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccsc2)c1 726411741 OFYSXDSBTORALW-NRFANRHFSA-N 481.549 5.168 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726415605 MHRJKJIQSIEDIE-QHCPKHFHSA-N 483.634 5.087 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC(C)C)cc1 726416538 WZTNUTKKGMBAMQ-HXUWFJFHSA-N 491.535 5.639 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@H](C)c3ccccn3)C2=O)c1 726421597 OFDODMRZOQLYRJ-KUMKXBAFSA-N 492.670 5.911 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)c2)cn1 726891621 PDRGLKFBINNIDQ-HSZRJFAPSA-N 488.613 5.176 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1=S 727430872 FUCPWLCIMKNHIH-QHCPKHFHSA-N 494.064 5.634 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 727593437 RKIVZSQVYZDTOS-UHFFFAOYSA-N 479.581 5.020 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2Cl)cs1 727649835 NUINBJHGYNWWHH-UHFFFAOYSA-N 483.859 5.854 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1OC(F)F 728062045 HGCLVZAVTMKJIO-OAHLLOKOSA-N 471.891 5.831 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 728110362 ZIRMQQNYEIFYLB-RUZDIDTESA-N 488.540 5.040 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 728119839 TZTRGNYSYDNEDO-VWLOTQADSA-N 479.502 6.834 30 20 JKED Cc1cc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c(C)n1-c1ccc(C#N)cc1 728267488 MNFMHENPVSSOCT-UHFFFAOYSA-N 458.905 5.717 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCCCC#N)C1=O 728778160 CILNKXCMPBSZJB-DEOSSOPVSA-N 486.597 5.503 30 20 JKED C#Cc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)cn1 729029731 GFRQCOGOPDDSQN-UHFFFAOYSA-N 487.968 5.230 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 729668337 HRDKVFKBNXYDMT-UHFFFAOYSA-O 451.568 5.090 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(C2CCC2)C1=O 730461314 BJMUZQCSFRKCNR-QHCPKHFHSA-N 497.617 5.005 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O)Nc1ccccc1Br 730462034 VECUEPZCPGQLPJ-GOSISDBHSA-N 476.371 5.101 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2sccc2SC(F)F)n(Cc2ccc(F)cc2)c1C 730660887 NSVUBQPCUDCSHN-UHFFFAOYSA-N 493.532 5.336 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1F 730687935 QQGXNMFKVHXCAT-MRXNPFEDSA-N 471.941 6.440 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)cc1 730719684 HWCBTRFUZSZMDL-JXFKEZNVSA-N 479.631 5.130 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944441 AXUVPEMFIIWSFK-YADARESESA-N 472.614 5.927 30 20 JKED Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)c1 731071334 XUCSRCZFYYXXIX-KRWDZBQOSA-N 465.600 5.237 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCCSc1ccc(Br)cc1 731135325 DJOZBCAPSNYISS-SFHVURJKSA-N 455.377 5.703 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3c2CCCC3)cc1 731135659 GAGCFDXMJKVNSS-GOSISDBHSA-N 467.356 5.328 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(OCc3ccccc3C#N)c2)NC(=S)N1 731339080 NQSQTWGXPBXPLJ-SANMLTNESA-N 482.609 5.186 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(Cl)cc(Cl)c1 745988852 AZIKKFYIVNFLDP-LJQANCHMSA-N 480.417 5.217 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OCCCC#N 747473109 QXXQIOJJKDFKDX-UNOMPAQXSA-N 489.416 5.546 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)ccc1OCC#N 799203588 NOFNUNPDRPGCEJ-GZTJUZNOSA-N 450.463 5.022 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccs1 838486664 QVHYCXXHROLWHP-HXUWFJFHSA-N 469.563 5.056 30 20 JKED COc1cc(/C=C/C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)ccc1OCc1c(C)noc1C 877703702 QDHVJVOSJIRDFF-YRNVUSSQSA-N 486.553 5.526 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3cccc(CN4CCCCC4)c3)no2)nnc1-c1ccco1 904434055 WYHAASFRUWRZCF-UHFFFAOYSA-N 476.606 5.442 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)c2ccccc2F)ccc1Cl 914474823 HDWFEEAWJUXCNX-UHFFFAOYSA-N 472.969 5.527 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@@H](C)C2CC2)ccc1Cl 914688025 MYMVPQPLFQDYCK-INIZCTEOSA-N 477.001 5.264 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915085989 QQTTXWPPXPHQDZ-MHZLTWQESA-N 459.574 6.758 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2Cl)cc1 915175244 RJPVSLRSZDJCDK-UHFFFAOYSA-N 457.921 5.513 30 20 JKED O=S(=O)(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Cc1c(F)c(F)c(F)c(F)c1F 915718097 KGRWHAMCQWLVRD-UHFFFAOYSA-N 487.393 5.639 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 915891536 OGPUXJGUTFFHLM-VWLOTQADSA-N 451.574 5.079 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 916209993 XQGZURXAWSOAPQ-OAQYLSRUSA-N 474.026 5.344 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 916211504 OUTPTSXWTUHXRV-OAQYLSRUSA-N 481.961 5.296 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2C(F)(F)F)NC1=O)Nc1cc(Cl)cc(Cl)c1 916232986 ZVIDQFLFKULDQA-CQSZACIVSA-N 462.280 5.260 30 20 JKED N#CCCCOC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1 916619982 JCWINBSBASANKV-UHFFFAOYSA-N 475.595 5.112 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cc2c(cc1Br)OCCO2 916708262 QMIOLWVAQQJFQS-HRAATJIYSA-N 492.373 5.758 30 20 JKED Cc1cc2occ(CC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2cc1C(C)C 916884253 UYQDLJFQIUAXOL-FQEVSTJZSA-N 456.514 6.069 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 916906249 PEJDBOKUCJSTQE-JOCHJYFZSA-N 477.476 5.484 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1Cl 916940429 MHUILIIAOKRJEU-MRXNPFEDSA-N 493.894 5.381 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3ccccc3)cc2)cc1Cl 916941210 QMJIYHOVVXAHBS-FQEVSTJZSA-N 450.947 5.602 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975680 DKAOGMYBSMHEAJ-KRWDZBQOSA-N 453.354 6.101 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 916977008 ZTPQACNTZLKUBF-AEFFLSMTSA-N 455.992 5.396 30 20 JKED C[C@H]1Oc2ccccc2N(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O 916996420 MDTVTZOVVXVGOR-CZUORRHYSA-N 486.380 5.497 30 20 JKED CN(C(=O)CSCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)C1CCCCC1 917043302 KMGQPCVTJVREIC-HNNXBMFYSA-N 469.554 5.016 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3c(Cl)nc4ccccn34)s2)c(C(F)(F)F)c1 917164665 PMADNAHQIPDISL-UHFFFAOYSA-N 461.856 5.178 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OCCCC(=O)O)cc2)cs1 917564054 VPODNIAZUFBKBH-NTEUORMPSA-N 464.543 5.276 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c1 917671402 XVQBJXCSAIRFHE-HSZRJFAPSA-N 494.567 5.446 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)cc1 917679930 XONKEIDDQBDHGU-QFIPXVFZSA-N 494.020 5.161 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(C(C)(C)C)s2)c1 917857539 QJBCNEZTTLGOLM-UHFFFAOYSA-N 491.038 5.123 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCCCOc2cccc3ccccc23)CC1 919088802 UMCJFCTVGFDMGT-UHFFFAOYSA-N 471.513 5.188 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 919649343 SIMSHCSZUIRLBP-UHFFFAOYSA-N 481.961 5.030 30 20 JKED CN(c1ccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F)C1CCCCC1 919662416 JGWNITAKJQIRHM-ZIAGYGMSSA-N 497.455 5.122 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2-c2ccccc2)cc1 920069264 XCRRBJSEJZHAJE-QXMHVHEDSA-N 453.329 5.388 30 20 JKED CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 920113470 XVKUZVHPJJAEOD-GBXCKJPGSA-N 476.001 5.663 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)cc1 920355925 QUKVPTSSRMIMAA-JOCHJYFZSA-N 462.575 5.069 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 920359630 PJCDXYLGFCFYFS-RUZDIDTESA-N 498.608 5.283 30 20 JKED N#Cc1c(NC(=O)COC(=O)Cc2csc(-c3ccc(Cl)s3)n2)sc2c1CCCCC2 920677051 ZUSIBAYRBDZFSO-UHFFFAOYSA-N 492.047 5.451 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 920807097 XRSYTQJMFJYKRH-XEHSLEBBSA-N 450.388 5.877 30 20 JKED COc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)ccc1OCCOc1cccc(Br)c1 920832741 VZIPBPHCCIJYTK-NTMALXAHSA-N 485.378 5.162 30 20 JKED COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3ccccc3-c3ccccc3C#N)n2)c1 921182689 QGFYJZMTYCBICS-UHFFFAOYSA-N 499.548 5.161 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5o4)CCC3)cc2)cc1 1785797467 MCFMTLPXEAUOGS-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1786143077 WXDZZNNTIMRCGR-AGILITTLSA-N 493.648 5.287 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786263213 LUWMYSZMKJFPMZ-HSZRJFAPSA-N 483.653 5.560 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1786373932 SOYKREKQRVYZCH-INIZCTEOSA-N 451.954 5.160 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C3=CCCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1787624568 ILDCYAJEKUAXMJ-JOCHJYFZSA-N 467.610 5.090 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)ccc4cc3O)CCC2)cc1 1787888826 DEJSKJHXKCSREX-UHFFFAOYSA-N 492.373 5.359 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1)c1ccc(O)cc1 1789731543 OWWKVFKLVOVRAT-FQEVSTJZSA-N 487.987 5.386 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)CCC2)cc1 1790564678 LCEQSOFNGJPVME-QGZVFWFLSA-N 494.979 5.544 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Sc3cccs3)CCC2)cc1 1790567488 MOZOOSYCTABOQH-IRXDYDNUSA-N 459.637 5.164 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncc(C(F)(F)F)cc3Cl)CCC2)cc1 1790568092 TXLLRESSBNLFIJ-AWEZNQCLSA-N 496.917 5.302 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc(OC)c1C 1790707961 LCJJAXAWGYGSQL-UHFFFAOYSA-N 483.568 5.140 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4C4CC4)CCC3)cc2)ccc1Br 1790744691 PDDOMASVENFQRW-LEWJYISDSA-N 478.390 5.115 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)cc2)CCC1 1790772147 BEDANPFXOQKHBK-HXUWFJFHSA-N 489.616 5.433 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)CCC2)cc1)C(F)(F)F 1791302646 RRVPFILGYZXOMV-AABGKKOBSA-N 458.505 5.127 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)cc2)CCC1 1791481967 SQMABIVYBFQYOY-RTWAWAEBSA-N 453.380 5.263 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4)CCC3)cc2)c1 1792122851 SQXBSNIUXSHZMD-FQEVSTJZSA-N 453.542 5.140 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CS[C@H]4CCCCO4)CCC3)cc2)c1 1792124901 OPYAWMUWTNIFIM-DFBJGRDBSA-N 477.630 5.321 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)cc3Cl)cc2)CCC1)C(F)(F)F 1792144625 PWHBNJGWRUBNFE-UHFFFAOYSA-N 452.860 5.215 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CC#N)cc1)C2)c1ccc(Cl)cc1 1793223984 MNSSGGHFYXYNPZ-NDBXHCKUSA-N 464.009 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2ccc(Br)cc12 1797523498 ROMNBDZIIYPNCN-BCDXTJNWSA-N 472.427 5.175 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1798398148 YTUWSGAQXMIMDH-KYALDGGBSA-N 498.623 5.457 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1798531936 LMFSTBWQZQMOMB-YMMWUDQKSA-N 478.592 5.343 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ccc(Br)cc3c1)C2 1798593382 JUSJKSYFTIBLBF-WKCHPHFGSA-N 484.438 5.242 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)c(F)c2)c1 1800407561 AGFWISIJNFDTQI-GAZPGATBSA-N 473.470 5.037 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1802440736 CAJUYXZXYWZIAX-CRHWOTLGSA-N 491.016 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1802492980 SVJKJVLBKHFMBL-IGKIAQTJSA-N 484.644 5.697 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1802492984 SVJKJVLBKHFMBL-RPLLCQBOSA-N 484.644 5.697 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803079876 QERIRBDQKFFIEM-WGGKQFCHSA-N 497.561 5.588 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)C3)c1 1803685259 ZBWRTBHXJPOQLY-LTFXSFKNSA-N 484.427 5.505 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(-c5cccnc5)cc4)CC3)C2)c1 1805328801 NBPQKYFSACZAMN-UHFFFAOYSA-N 492.623 5.098 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)nc4ccccc34)CC2)C1 1806678200 RDDAYVSJCFVBRH-UHFFFAOYSA-N 491.579 5.018 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1808490877 ZRWYXYIIHTZRLV-YGOYIFOWSA-N 498.048 5.269 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)Cc3ccccc3Cl)C2)CC1 1809226506 OQZVEZCUDINJCP-UHFFFAOYSA-N 473.133 5.165 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H]2CC=C(C)CC2)[C@H]1c1cccnc1)c1ccccc1 1809483594 HBSWLZGDXOYDCV-BRKVKBHOSA-N 469.629 5.031 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1810173815 XHIVDYXCZCZVOD-DGWZTRNLSA-N 487.644 5.273 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1810175172 STDZNUFLAXFPQH-OARDWFSCSA-N 486.660 5.160 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2ccc(F)cc2F)[C@@H]1c1cccnc1 1810492097 IZLJFSIXMSGGLU-YADARESESA-N 487.616 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1810502447 JDKCQALVFYVPBQ-XMSQKQJNSA-N 457.977 5.186 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1811219600 AIFOELUPSTVFLB-ATIYNZHBSA-N 496.127 5.414 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3occc3n2-c2ccccc2)[C@@H]1c1cccnc1 1812592367 UEIPZIWDIGSKSB-ZVUIFXONSA-N 482.584 5.150 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)[nH]n2)C1 1814397874 YAADHNYKABDGTA-XMMPIXPASA-N 457.578 5.089 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)[nH]n1 1814829783 WIVQULZPIFGMSD-LPHOPBHVSA-N 458.653 5.413 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(OC)ccc2OC)n[nH]1 1817065979 RORGIVSYYMQXAB-JOCHJYFZSA-N 482.625 5.044 30 20 JKED Cc1ccc2oc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)cc2n1 1817690961 NUJOPZCSMRDEBS-LJQANCHMSA-N 488.935 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)[nH]n1 1819306012 UUDVKNGPBZPYNZ-UNMCSNQZSA-N 473.577 5.447 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cc(Cl)ccn23)[nH]n1 1819554194 JZSKSSQWMAQEMR-GOSISDBHSA-N 468.989 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)no2)n[nH]1 1819795736 FXIUPMLJEGNBTA-NRFANRHFSA-N 461.566 5.363 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3F)n[nH]2)cc(C(F)(F)F)c1 1820414210 WZSAJWQTDWRGTK-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3ccccc23)n[nH]1 1820733512 UTZYCLNVKPTCSE-XMMPIXPASA-N 489.696 5.177 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c1 1821042710 AKOGQVREHKYXPD-NRFANRHFSA-N 465.916 5.002 30 20 JKED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821175658 MQVYWZYRVSPCCB-HNNXBMFYSA-N 496.539 5.322 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821178182 MMOKRKDFIJRDPY-HSZRJFAPSA-N 494.555 5.059 30 20 JKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)cc1 1821226043 WCYCKFUGGRHLRE-DEOSSOPVSA-N 467.573 5.385 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)ccc1F 1821277021 BANLCEBJSZFMIG-NRFANRHFSA-N 465.916 5.002 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)cc1 1821310396 SSADOXHYXJJEGU-NRFANRHFSA-N 481.478 5.228 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c1 1823130350 PXBINHSOJCWWAI-VWLOTQADSA-N 467.573 5.097 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)cc1C#N 1823292638 RHXGQECOXNSWRY-VWLOTQADSA-N 497.599 5.566 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1)NC(=O)OC(C)(C)C 1823347796 GEVUELRECHCFDH-RZUBCFFCSA-N 499.656 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)n[nH]1 1823390932 BGEPEUQYKJHHKO-JPLJXNOCSA-N 466.548 5.539 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@]3(F)CCCC=C3F)n[nH]2)c1 1823588176 ICDUHHLOOMAUDJ-UHUZZHMISA-N 467.520 5.088 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)C1 1823699820 DMXANKSRQDUVPR-JOCHJYFZSA-N 454.014 5.329 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1823753789 IHMSVKSNXRKOIW-DEOSSOPVSA-N 453.602 5.533 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 1823754038 WFWHHIWYFZDIJT-FQEVSTJZSA-N 465.560 5.326 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1823755424 WXGWDEIAQQBEOX-HSZRJFAPSA-N 491.717 5.246 30 20 JKED Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)c1 1823887929 RIHPZKPHVOABLU-QHCPKHFHSA-N 496.652 5.125 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1824144797 GZZSFOBWIIUYBU-GDLZYMKVSA-N 499.655 5.563 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCc3ccoc3C2)CC1 1824291501 VQMSKBHTEAUXSV-RPBOFIJWSA-N 482.741 5.055 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2nc(-c3ccccc3)sc2C)CC1 1825102581 PAVDJQYCUMYKNG-VWLOTQADSA-N 477.674 5.084 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1)c1ccccc1 1825877437 DJJFBDZSPOGBPM-AHKZPQOWSA-N 460.618 5.327 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1826510978 VDUITDMVVWSBMN-DEOSSOPVSA-N 483.534 5.053 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 1827330051 QXJHRTPKMROANZ-LJAQVGFWSA-N 492.623 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2F)CC1 1828453274 FICYAAAMQJTDSK-RUZDIDTESA-N 472.645 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1828824576 LSCSXLJZXKMPEY-KODFZCBSSA-N 477.693 5.439 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nccc3occc23)CC1)c1ccccc1 1829033442 UNWOZXWLIXOJBF-AOYPEHQESA-N 483.612 5.258 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)oc3cc(O)ccc23)CC1 1829066836 VZRBZWFDDAECBJ-HSZRJFAPSA-N 466.622 5.673 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)nc3ccc(F)cn23)CC1 1829068734 NOHLSWNABSQJLB-JOCHJYFZSA-N 468.617 5.008 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576873 VMXNJUGXPSDPRU-DHLKQENFSA-N 495.714 5.637 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)CC1 1829688162 SJDVARGASAGBMC-VPUSJEBWSA-N 472.633 5.145 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1830417595 DZVWFAHQNBMLPU-HYBUGGRVSA-N 488.072 5.182 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830633539 NIRVDWTZVIOKHH-FRMLODSESA-N 485.628 5.098 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)cc2s1 1830888247 OYWGJJGDQYFZIC-VWLOTQADSA-N 488.657 5.276 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1831372704 HQEGRBWPSCALIC-VGSWGCGISA-N 486.454 5.376 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831448935 SGIWIKCIHMOULX-IBGZPJMESA-N 498.496 5.026 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1)C(F)(F)F 1831745190 NAZTYEQYDNFXQA-QFIPXVFZSA-N 482.612 5.357 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1831848174 RRWWOALTBSWFNN-SJKOYZFVSA-N 463.858 5.198 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1)c1ccc(O)cc1 1831921486 VORJQWVPHASMEB-RPLLCQBOSA-N 476.617 5.033 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc2c[nH]nc12 1832634113 NXUNQPAAJHKWDI-IBVKSMDESA-N 483.616 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)CC1 1832681318 BUBBJNOAJUSIRM-KAYWLYCHSA-N 464.650 5.477 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719038 FITWLCLGQSDRCB-GOSISDBHSA-N 456.801 5.184 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1832923610 YUOAFMXBTRTKOD-QHCPKHFHSA-N 491.717 5.246 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)CC1 1833078985 DAVCGNVJGZGCLV-UHFFFAOYSA-N 497.083 5.066 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1834464435 ZPEZOXDIODSNTB-QPVYNBJUSA-N 479.709 5.156 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)CC1 1838223379 CBHWUZHYDZLTJA-QFIPXVFZSA-N 496.051 5.269 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)CC1 1838373890 ROHSPCPQSUKKEP-SANMLTNESA-N 487.644 5.129 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)CC2)CC1 1838616306 OJBBTYYWJUBUMA-JOCHJYFZSA-N 492.660 5.208 30 20 JKED C(#Cc1cc(C#Cc2ccncc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1)c1ccncc1 1848350043 GHEQNOKZSVGJJX-UHFFFAOYSA-N 480.570 7.841 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172683 SKNJIIZTOBKLDD-UHFFFAOYSA-O 465.708 7.224 30 20 JKED O=C(/C(=C(\S)Nc1ccc2c(c1)OCCO2)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 10179573 WIXBOWVMTKIYHM-UHFFFAOYSA-O 481.597 5.387 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccccc1OC 21141522 UBPCHTMOKIVRLE-IBGZPJMESA-N 477.634 5.249 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1c[nH]c2ccccc12 21459006 STUMNTPDLBZVNW-SFHVURJKSA-N 478.581 5.715 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 22695217 MYKMWBXHHFBNSB-UHFFFAOYSA-O 489.448 5.797 30 20 JKED CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 25438363 APXDJCNTBXOXMU-UHFFFAOYSA-N 467.978 5.219 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1 27000159 DRGFKWRJVBTQNS-KRWDZBQOSA-N 451.523 5.058 30 20 JKED CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2[C@H](C)c2ccccc2)cc1 28609322 JOAHSPUFHHRZGW-HXUWFJFHSA-N 497.624 5.631 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 60367473 BOFRXFOOIVNGBT-OAQYLSRUSA-N 457.500 5.073 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2)c2ccccc21 255928401 RLECOJANKTYWIE-UHFFFAOYSA-N 484.629 5.097 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)CCN2C(C)=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 302857048 NFAJDCPVTMTOIU-UHFFFAOYSA-N 472.397 5.859 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 303037301 YTYUCXPDPJWJSA-UHFFFAOYSA-N 472.364 5.238 30 20 JKED Cc1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1c(Cl)cccc1Cl 481853409 CMMZBWRUDWXCDT-NSHDSACASA-N 461.259 5.117 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 482877153 KAPIHWFBRFEOKQ-UHFFFAOYSA-N 452.514 5.168 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 495484930 QHKDKBXMTCZJIT-UHFFFAOYSA-N 472.501 5.572 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 501134598 NGUGLUPWPKOBEA-XMMPIXPASA-N 492.373 6.027 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)c(C)c1[N+](=O)[O-] 501419938 HLXBXDHWYUKLFV-UHFFFAOYSA-N 495.539 5.354 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OCCOC)cc1C 502639023 XMFJXPKZXCFUIN-UHFFFAOYSA-N 451.336 5.142 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(COCCOc4ccccc4)c3)CC2)c1 502682290 VQJDYJYXUFPSRT-UHFFFAOYSA-N 498.583 5.036 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 507965664 CJOPGFMBVCPLBR-UHFFFAOYSA-N 463.541 5.374 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 508585415 BRCWNVZIKMOMJM-BWAGFHJFSA-N 451.954 5.022 30 20 JKED CCc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(Br)cc1 513176399 QLSBLHUFPHSPQG-OAHLLOKOSA-N 463.257 5.101 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccc(F)cc1 514290620 DEFKKEDYMRCMCK-SFHVURJKSA-N 464.566 5.693 30 20 JKED O=C(Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(C(F)(F)F)c1)c1ccccc1F 514567960 PTPJVRGPGWCMKD-UHFFFAOYSA-N 474.307 5.906 30 20 JKED Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 515586563 ZENDILFHFHRTHU-UHFFFAOYSA-N 454.511 5.511 30 20 JKED CC(C)COc1ccccc1CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517335520 CHWANWIPSKRTBS-HSZRJFAPSA-N 475.976 5.285 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OC3CCCC3)cc2)c1 518761131 UEGBWDFWBUIJMW-UHFFFAOYSA-N 471.582 5.863 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 519876421 FWIUFHIZWSTAGQ-PXJZQJOASA-N 463.581 5.253 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)[C@H](C)Oc1ccccc1C#N 520447705 DXSGBLAGPOPTRM-INIZCTEOSA-N 467.447 5.544 30 20 JKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(NC(=O)NC2CC2)cc1 520603378 FJHHWWYSWDWZML-KRWDZBQOSA-N 455.518 5.517 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 524284155 PYJRNBLVWBIJCE-UHFFFAOYSA-N 493.991 5.241 30 20 JKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590979327 MSWXWWKKSFFPBI-GJZGRUSLSA-N 478.399 6.535 30 20 JKED O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591610251 NQCVUTVLAJRNCV-ZENOOKHLSA-N 495.464 6.099 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 597217893 JKIGXABPHJZQPQ-FQEVSTJZSA-N 483.597 5.370 30 20 JKED CCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccc(C)c1 597872720 FRRHWSLDHBTNNK-OAHLLOKOSA-N 451.621 5.205 30 20 JKED N#C[C@@H](C(=O)c1ccc(I)c(Br)c1)c1ccc2ccccc2n1 603835679 HKEOKFSLEIIILP-CYBMUJFWSA-N 477.099 5.092 30 20 JKED C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1 603969418 SAUVSZNWLWMWLY-KRWDZBQOSA-N 465.600 5.102 30 20 JKED Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)Nc3ncccc3OCCCC#N)ccc2C)c(C)c1 608883415 WMVKTSDNKMLYLY-UHFFFAOYSA-N 492.601 5.051 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(C(F)(F)F)c1 608924135 XMCRNWPUCRSQPX-JOCHJYFZSA-N 496.489 5.606 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)o2)cc1 609055517 KMAMVGUGJZOYOF-UHFFFAOYSA-N 477.973 6.013 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(Br)cc1 609078580 AUYUNZWLPDWJKK-UHFFFAOYSA-N 464.363 5.872 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 609080158 RFWXUVJDAOCBRK-QGZVFWFLSA-N 488.975 6.022 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609384653 DQWWNYDZBNIFSX-LBPRGKRZSA-N 461.431 6.027 30 20 JKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 642678586 WSQWKVHQXOKADR-UHFFFAOYSA-N 456.314 5.452 30 20 JKED C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(OCc2cccnc2)cc1 642689165 FQKMIIYZNDQTGT-GOSISDBHSA-N 453.464 5.091 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ccncc2)no1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 648351624 ZARKYEDMGNJVSW-UHFFFAOYSA-N 486.384 5.714 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc(Cl)cc2)cn1 726114086 VBXGPNXNUQVGDK-OAQYLSRUSA-N 482.009 5.025 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726319235 DAHDUOPEPZBZMC-AWEZNQCLSA-N 493.894 5.761 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CC[C@H](C)OC)C2=O)c1 726392557 HRLWVIGTMPEFHV-UUOWRZLLSA-N 491.613 5.234 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 726401254 SJFUHYGSAICTOT-BEFAXECRSA-N 494.444 5.687 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 726411699 NYGIIFLGHQXIJO-GAJHUEQPSA-N 489.000 5.438 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)c1 726423511 ZVMJWVXSRBHGAL-JKAOCBFXSA-N 492.670 5.658 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C#N)CCC)c1 726532360 HCJHJFYUODISRQ-MRXNPFEDSA-N 499.942 5.162 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2ccc(C(CC)CC)cc2)c1 726573615 MWWSKANSPASIHK-UHFFFAOYSA-O 496.483 7.489 30 20 JKED COc1ccccc1/C=C\C=C1\CN(c2cnccn2)C/C(=C\C=C\c2ccccc2OC)C1=O 726744244 YMQUTXMTYBJKJZ-FFQDFDQPSA-N 465.553 5.163 30 20 JKED CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726854882 UDRAFIMAHYJHFH-DEOSSOPVSA-N 459.977 5.763 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)cc1 726940148 KVUKYDBXTOIPTP-UHFFFAOYSA-N 454.324 5.193 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1ccccc1Oc1ccccc1 727953862 PXGAZXYOZBRINM-ZAGXWJKOSA-N 466.537 6.161 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 728777775 OFTARJYYVXAUPO-QHCPKHFHSA-N 474.561 5.633 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CCCCC#N)c1cccs1 728778624 UEHZQTVBUQDRKU-CWHVSTADSA-N 490.654 5.985 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 729187327 ZXWRDKBDRQTUDA-HOCLYGCPSA-N 495.935 5.360 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3cocn3)C2=O)cc1Cl 730728560 AKKYUWVPLSZOTE-IMRFYMDBSA-N 489.022 5.288 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730943525 FDAFCJYRSWHOKV-FDDCHVKYSA-N 476.577 5.559 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1 731063964 SYOQQJVMPIJIDE-LJQANCHMSA-N 493.629 5.139 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1cc(Br)cs1 731077550 LPMZACQXMRKABP-ZDUSSCGKSA-N 467.410 5.019 30 20 JKED COc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)ccc1C 731307202 QIHGEKKDZLZIPJ-QHCPKHFHSA-N 493.560 5.009 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731307923 WEBVKNBDOJCRNV-QVKFZJNVSA-N 483.977 5.230 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 731307956 JZPGEJNPIANLFK-DEOSSOPVSA-N 484.581 5.342 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1 732765633 NGZIGIDYZCRXMM-UHFFFAOYSA-N 495.004 5.702 30 20 JKED CN(CCC#N)c1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1 742724914 XFNGPVFVQSKRDQ-XMMPIXPASA-N 452.371 5.817 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(CC)Cc2cc(Br)ccc2F)c1=S 746034238 LYAADHLTCZMZJH-UHFFFAOYSA-N 462.392 5.043 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCCOC2CCCC2)C1=O 747041902 CVTFSCLKAYXCBH-HSZRJFAPSA-N 499.608 5.144 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c1 747599889 LKZHUUBCGDFVHL-HXUWFJFHSA-N 468.579 5.060 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)c(C)c1 799212334 HFNONQYFNJCGMH-GOSISDBHSA-N 460.397 5.046 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 838310101 BRTTZOCYHVWUMZ-NBGIEHNGSA-N 486.641 5.982 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 914538966 ZOBGYJOMEWYJIG-FQRUVTKNSA-N 494.620 5.634 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914552103 SXOXCLSLBKBFJH-IRLDBZIGSA-N 453.995 5.092 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)Cc1ccco1 914690181 MCICLKDELKHLJW-ZHRRBRCNSA-N 481.549 5.019 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H](C)Cc3ccco3)C2=O)cc1 914692179 WWZXYYVVAZJGBS-MWTRTKDXSA-N 493.560 5.213 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2ccccc2)cs1 915102573 YFSHLIVGPUMNBX-XZOQPEGZSA-N 451.551 5.548 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102992 NDELJTPVMQGHRZ-KRWDZBQOSA-N 458.370 5.042 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1 915181086 WYOQOSOTRJYRBA-RMMRYSJTSA-N 488.576 5.694 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 915720084 ZAGFEAUDLVZQBM-NSOVKSMOSA-N 498.586 5.710 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1F 916204540 AEYOJPZONAODNB-GOSISDBHSA-N 478.387 5.205 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccco3)C2=O)cc1 916207847 NAQRUYVEXWPKLY-QHCPKHFHSA-N 475.570 5.260 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc2ccccc12 916217288 JVROSIAIIHUCNV-NRFANRHFSA-N 483.515 6.005 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)c2cc(F)ccc2Br)cc1 916383959 XOWQQAFEFLDCQM-NRFANRHFSA-N 480.337 5.002 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916628300 QNRXCMYARGASQQ-FXAWDEMLSA-N 484.408 5.846 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)nc2ccccc21 916844752 AOXZCLVBFRFRTQ-WMZHIEFXSA-N 460.331 5.332 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 916887701 OMGWRRGSNBJCSB-LJQANCHMSA-N 453.514 5.713 30 20 JKED COCc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)sc2cccc(F)c12 916902781 JQDOIFFLEQMXHO-GFCCVEGCSA-N 460.914 5.118 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 916947777 BAJGTEIGUNTCPZ-KSFYIVLOSA-N 471.605 5.847 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)Cc2ccn(-c3ccccc3)n2)c1=S 917480427 DAQIZARJFSJJRD-UHFFFAOYSA-N 481.025 5.108 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccccc2C#N)cc1 917612139 JIBFYWRIENRKER-UHFFFAOYSA-O 485.633 5.528 30 20 JKED CCc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)cc1 917613761 UDEFBFTVKRZFJY-UHFFFAOYSA-O 476.625 6.322 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(C)=O)C=C1)=C(/S)Nc1cccc(C(C)C)c1 917616329 XIPYNBXEURLABF-UHFFFAOYSA-O 460.623 5.754 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1cccc(C)n1 917686896 FZHBADWLPLRJEI-XMMPIXPASA-N 488.613 5.122 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccsc1 917707285 WTPRVPLMHFEKLR-FQEVSTJZSA-N 481.002 5.434 30 20 JKED C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918546513 BKOSDPDIBLCRHU-LYYOGKFUSA-N 477.030 5.158 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Oc3ccccc3)nc2)n(C2CCCC2)c1C 919385972 CSDFVKYWDSPQGH-UHFFFAOYSA-N 458.518 5.075 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 919667528 XTYGYPTWTHZQRC-SIKLNZKXSA-N 494.016 5.347 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2F)no1 920353466 KHLDDTVWTWBNQR-FQEVSTJZSA-N 486.956 5.244 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 920743441 DCHUDMCNDBVXJJ-JXFKEZNVSA-N 471.513 5.215 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 920866493 DRRYTCHGCXOLOC-MBSDFSHPSA-N 461.587 5.083 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 920868192 JHKFNUKGMFFPOO-KSSFIOAISA-N 480.417 5.236 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)c1 1785936018 HJYGXQVMWURVPU-UHFFFAOYSA-N 494.567 5.470 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(Cl)cc3F)CCC2)cc1 1788030938 MKOSOYBZTPUSCC-UHFFFAOYSA-N 491.394 5.162 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)c1 1788358822 VFBQNUTYHIGIIQ-KCSSXMTESA-N 492.579 5.517 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCC1 1788508906 HARMXOVDCXHXAA-QGZVFWFLSA-N 464.997 5.510 30 20 JKED Cc1nc2ccccn2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1788930058 MFIKOYCVLIKAAJ-LJQANCHMSA-N 477.568 5.331 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)CCC1 1789107181 NBXNUOOEUSKZMH-UHFFFAOYSA-N 452.620 5.204 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccc(Br)cc34)cc2)CCC1 1789194369 LFOCJHSHUGCBLM-UHFFFAOYSA-N 478.390 5.020 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CN(C(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1789622276 HRCNZOVJLREIEL-UHFFFAOYSA-N 483.653 5.512 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CCC1 1790464512 AOISPIATWUJKQX-OAQYLSRUSA-N 474.992 5.679 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5s4)CCC3)cc2)c(C#N)c1 1790472425 MNTYEFLWACCGQP-UHFFFAOYSA-N 485.565 5.365 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)c(F)c3)CCC2)cc1 1790569099 AEAWSGHGVOZSFG-SFHVURJKSA-N 481.568 5.163 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc([N+](=O)[O-])c4)CCC3)cc2)cc1 1790705124 KCKPUELDURFLOM-UHFFFAOYSA-N 482.540 5.041 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1 1790705246 NDTZTAIMTNXTLR-KAYWLYCHSA-N 479.580 5.313 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H](c3ccc(Cl)cc3)N(C)C)CCC2)cc1)C(F)(F)F 1791305664 XPNDWVCCOQOKGH-HXUWFJFHSA-N 479.930 5.195 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Br)cccc4n3)CCC2)cc1 1791575495 MLSXJSZAFNULBB-CQSZACIVSA-N 484.419 5.063 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CNc4ccccc43)CCC2)cc1)c1ccc(O)cc1 1791646292 JUUFOGSCQRNDTO-AMGIVPHBSA-N 493.607 5.233 30 20 JKED Cc1cnn([C@@H](C)C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)c1 1791845499 ICWNNWHKIUORDH-KRWDZBQOSA-N 495.505 5.091 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)ccc1F 1792102930 ANHQSEUMHGYYGR-SFHVURJKSA-N 471.532 5.523 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3cc(-c4ccccc4)ccc13)C2 1793049024 MCHHXLJESRXYRC-BKFWDETESA-N 468.601 5.250 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2cc3ccccc3o2)cc1C#N 1797702893 CEMHHPYCHLTBBS-FLJPJLAVSA-N 483.568 5.057 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cccc(Br)c3n1)C2 1798339992 JPOCXWNTCWWQID-YRPNKDGESA-N 482.422 5.018 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CNC(=O)OC(C)(C)C)c(C)c1 1799262568 SXPYFOQNYOWUGC-NDBXHCKUSA-N 495.664 5.040 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(N(C)Cc2ccccc2)c(F)c1 1800811413 ZSYBRCPLVAJUFW-IITNATTFSA-N 481.587 5.065 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cccc(Cc5cccc(F)c5)c4)CC3)C2)C1 1804789151 CQGREJVACNDOLT-UHFFFAOYSA-N 460.593 5.228 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1806542243 KSEFUQCZLNYXKU-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1808702560 CJLZRVDLFCPARU-WIYYLYMNSA-N 477.527 5.314 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)ccc3F)CC2)C1)c1ccccc1 1809160913 BNLVPEXIUGATOH-QFQXNSOFSA-N 475.608 5.372 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1809161173 OJBDJPGRUAPXLT-SGIRGMQISA-N 457.574 5.224 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CC(C)C)cc2)[C@@H]1c1cccnc1 1810174645 OMMGXHZHEBNHCQ-OYUWMTPXSA-N 459.634 5.368 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc4c(Cl)cncc4s3)C2)CC1 1810249715 DOHCWFHJLJXFDF-UHFFFAOYSA-N 474.070 5.787 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)[C@@H]2c2cccnc2)C1 1811139621 PNGQBHVRLYFKGB-UTKZUKDTSA-N 477.914 5.040 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)c2[nH]1 1811420641 VPWWUMISXAMLRT-LVXARBLLSA-N 497.986 5.030 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1811695916 VJMNXNVPWYPCHC-GIGWZHCTSA-N 497.664 5.497 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1Cl 1811735400 ZUYGWBKFXGOMEJ-HYBUGGRVSA-N 493.394 5.202 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(C)c1 1811785351 XWFWGXYVCQWTSB-SHQCIBLASA-N 475.709 5.069 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1812676225 NCNBUVHROUYYCD-JXFKEZNVSA-N 482.358 5.228 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813145714 YAGNSCDWLSVQPJ-NVVBAYIOSA-N 493.957 5.215 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818214923 YGDUJVFKDFBAOL-BEFAXECRSA-N 465.520 5.329 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)n[nH]1)c1cccs1 1818930329 IGQMOHNAXNIOLV-POQKMJIBSA-N 494.661 5.509 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]n2)c1Cl 1820220094 KIDUJOIOXCQBKE-IBGZPJMESA-N 468.344 5.208 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1821275983 WOAKVFKAHPICBY-BDTMADQZSA-N 483.503 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)c(C)cc2OC)n[nH]1 1821341875 WYLACIYZHXGBTM-DENIHFKCSA-N 450.583 5.109 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1821922428 JVXQKYBGQUUXRK-RDPSFJRHSA-N 481.600 5.848 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccc(Br)cc3c2)[nH]n1 1821924841 IZVCMXUDSPWNGL-YCRPNKLZSA-N 496.409 5.239 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1822055216 PQZKWVAPYMYYFE-CPJSRVTESA-N 469.589 5.284 30 20 JKED Cc1ccc([C@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1822067331 JSVMLVLAQGOPRN-RLSLOFABSA-N 469.589 5.455 30 20 JKED Cc1cc(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c1 1823192484 ZGFZPWZOSXQKJY-JOCHJYFZSA-N 461.953 5.057 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823211499 MSBDDESJLKPEQN-JPYJTQIMSA-N 475.618 5.345 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(C)c1 1823218187 PTDFAJMUYTXENY-DVECYGJZSA-N 455.562 5.273 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)ccc3NC(=O)OC(C)(C)C)CC2)C1 1823701225 DCBKXJJGSYOTMY-RUZDIDTESA-N 495.664 5.542 30 20 JKED CO[C@](C)(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](S)C(C)C)CC1)c1cccc2ccccc12 1823711593 GCEYDGRKRZGWPC-ALTZYDRJSA-N 496.717 5.276 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1F 1823905844 RGWHGCWZWCLQQD-RUZDIDTESA-N 491.607 5.340 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1823926232 SORHFYVHZXGCQQ-HSZRJFAPSA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c(Cl)c1 1824039173 SZPJNPZWOXJDHE-MZKUHISZSA-N 494.010 5.388 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1 1824544625 QKLNWPNHPTXQKE-XDJBQHOISA-N 499.540 5.098 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccsc3)CC2)c1 1825304537 VDPFXFCDYCWZPU-DMGXODIQSA-N 461.631 5.322 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)CC2)c1 1826763618 BDDMXYKSDZXLFX-XMSQKQJNSA-N 475.555 5.280 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccc(C)cc2)CC1 1828340765 HNYBECALVOKYAK-RUZDIDTESA-N 454.680 5.475 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)CC1 1828935857 VBMNPJWMRMABEW-ZDOFJRLWSA-N 464.675 5.262 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1830171823 AFKQZTTVGYTKHU-WWNPGLIZSA-N 491.717 5.148 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CCC1 1830579005 QLJRZICWYDYAKB-FQEVSTJZSA-N 481.946 5.286 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1830767024 ZXXYHCQKOGGFKW-ZONZVBGPSA-N 473.592 5.043 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830979294 GQLVHTAQMZXQCH-CJFMBICVSA-N 473.617 5.873 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Sc2cccs2)CC1 1831445395 IDKLMHHKRUNOEL-FUHWJXTLSA-N 456.624 5.060 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831446391 JWMTYPSBTQEZSI-QFIPXVFZSA-N 497.611 5.894 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1831856977 QFQJPYFIZJNRAK-QHCPKHFHSA-N 466.622 5.449 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1)c1ccc(O)cc1 1832480097 OFVGUKVNIYSYGX-SHQCIBLASA-N 476.661 5.089 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)CC1 1832563178 NEJHKOOQMZBFQL-DQEYMECFSA-N 450.623 5.013 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc2c[nH]nc12 1832634110 NXUNQPAAJHKWDI-FQRUVTKNSA-N 483.616 5.046 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(Br)c3)CC2)CCC1 1832785120 IKXJETQMGLMAHZ-HXUWFJFHSA-N 492.845 5.030 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1832896554 YYOOZQJSHFDFLF-CYFREDJKSA-N 464.009 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1835034739 GEDZNWADPHXJFW-UHFFFAOYSA-N 499.099 5.307 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)C1 1844627218 HIVGYMQDBAPVBA-UHFFFAOYSA-N 456.590 5.039 30 20 JKED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1)c1ccc(O)cc1 1845736832 OAXDSJMSAWASOB-QFIPXVFZSA-N 492.575 5.306 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NC1(C#N)CCCCC1 8641564 AXRGCPCOUXUNHW-QGZVFWFLSA-N 466.010 5.411 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nc2cc(Cl)ccc2c1=O 9353850 MUQFDAHJXFRDGC-UHFFFAOYSA-N 486.018 5.669 30 20 JKED COc1ccc(OC)c(-c2csc(/N=C(\O)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)c1 9729542 USAZBAWFWWPOMP-UHFFFAOYSA-N 462.531 5.101 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)cc1 10173965 YCAXVIYXAZEDRL-UHFFFAOYSA-O 471.646 5.791 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 10841509 DFJDSYQMZHRBLC-UHFFFAOYSA-N 468.604 5.381 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(C(C)(C)C)cc1 14871726 VFQCJVFSRFRYIG-UHFFFAOYSA-O 486.488 7.192 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NCc3ccccc3)s2)n(Cc2ccccc2)c1C 16615851 QMVMBQBOXQLBCB-UHFFFAOYSA-N 488.642 5.219 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 20990580 UHHNEYFUBQGFEB-AWEZNQCLSA-N 480.487 5.320 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)nnc1-c1ccoc1C 21177313 OLYXACSJPSHPTC-OCCSQVGLSA-N 467.620 5.309 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 22521047 UBDOJMRRFXBFTA-GJZGRUSLSA-N 491.444 5.805 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(C)c2C)cc1 22729428 UJZGRVBDPIWXME-UHFFFAOYSA-O 451.681 6.915 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2cccc(Br)c2)cc1 22732536 ZPXRFRRBISDMKE-UHFFFAOYSA-O 454.413 5.658 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 22733150 RKKKBCJRRMCXMN-UHFFFAOYSA-O 450.436 6.264 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 32503722 UYXGROBONVZMTD-UHFFFAOYSA-N 461.008 5.055 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1[C@@H]1COc2ccccc2O1 32557087 MFSZQEISXNWGEQ-LIRRHRJNSA-N 490.507 5.115 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(c1ccccc1)c1nc(C)cs1 33150773 SJHKJNPTGPYUHW-UHFFFAOYSA-N 472.364 5.228 30 20 JKED COc1ccccc1[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)N1CCCC1 36755305 QZFSRUSOHVOLKF-QHCPKHFHSA-N 457.599 5.285 30 20 JKED CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 107647890 MTVWUJCIZIWQPM-DVECYGJZSA-N 481.930 5.667 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)o1 108089430 GMYLTVJQGMUDPH-UHFFFAOYSA-N 451.320 5.298 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 109622386 JZHSXSXCQFAVKB-UHFFFAOYSA-N 462.522 5.459 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1 255942300 HTZWYIUIZVQJGD-UHFFFAOYSA-N 455.461 5.560 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 255952681 WAMDRWOUKACKKY-MRXNPFEDSA-N 483.515 5.799 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1Cl 302976871 UHXBGTCAUSTQCQ-RDGATRHJSA-N 471.988 5.415 30 20 JKED Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 478238863 XMKXCKRBODZLOZ-UHFFFAOYSA-N 450.523 5.513 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1 480245715 CCHVVOUDZHCASX-QHCPKHFHSA-N 484.600 5.414 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cc1 485541627 ZJZOKGIHRFHEOR-UHFFFAOYSA-N 459.933 5.279 30 20 JKED COc1cc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1SC 487311617 DIWTVFULWRDHPT-UHFFFAOYSA-N 495.988 5.332 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1 487829538 BYVZYTKUGNSPIP-UHFFFAOYSA-N 485.531 5.786 30 20 JKED C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cc(C(F)(F)F)ccc2S1 498377143 UJPYOXOJRXHTJA-OAHLLOKOSA-N 482.549 5.314 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 498631240 RIKNJMARPBVZFE-UHFFFAOYSA-N 479.511 5.710 30 20 JKED O=C(Nc1cc(F)cc(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503145454 WTUCDZRLQPFFII-UHFFFAOYSA-N 470.707 5.489 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCSCc2cccc3ccccc23)CC1 507570387 SYSAKPKLLVCURH-UHFFFAOYSA-N 486.597 5.225 30 20 JKED C=CCOc1cccc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 509114648 XKQSRVFUVHNEKS-UHFFFAOYSA-N 476.642 5.681 30 20 JKED CCN(CC#N)C(=O)c1cc(/C=C/c2cccc(OC)c2)nc2ccc(Br)cc12 509218521 OIHXRHVWIBDWTN-VQHVLOKHSA-N 450.336 5.162 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1Cl 509594432 VULRVDNQGFMXEB-QPPBQGQZSA-N 466.368 6.254 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 509670143 ZBIMZYHGCVZVCP-UHFFFAOYSA-N 475.551 5.465 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 510490514 MCXVMYXYAMPFBR-UHFFFAOYSA-N 454.530 5.298 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 512411577 OTNVIZUNBYDHDN-KBXCAEBGSA-N 473.367 5.006 30 20 JKED C=CCn1c(SC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc2c1=O 515322691 WPOLKYKJJWTWFW-JOCHJYFZSA-N 494.563 5.120 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 515624943 JFBKQZMKROKLJD-UHFFFAOYSA-N 487.581 6.399 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1-c1ccc(F)cc1F 515651543 WACFPNTZMRCFKC-UHFFFAOYSA-N 458.468 5.356 30 20 JKED C=CCN(C(=O)CCS(=O)(=O)C1CCCC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 517303549 CAXCUHHGVLOKND-UHFFFAOYSA-N 480.655 5.744 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1NC(=O)c1ccccc1F 517800933 QPBKIIUJEHCPHZ-OAQYLSRUSA-N 480.524 5.872 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1OC(F)F 518675744 NVSZNOJDRKOQPD-GFCCVEGCSA-N 487.450 5.128 30 20 JKED Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 518854120 XZGBSTXFHFWTNT-HXUWFJFHSA-N 473.598 5.103 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)NCc1cccc(C#N)c1 518951545 UWUJVHHJYSCAJA-UHFFFAOYSA-N 452.436 5.460 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4F)n3)cc2)cc1 519032952 HJJBBUYHLQIEIJ-UHFFFAOYSA-N 472.501 5.380 30 20 JKED Cc1sc(CNC(=O)C(=O)Nc2ccccc2SCCC#N)nc1-c1ccc(Cl)cc1 520844387 UIYOGKQVAFBBFT-UHFFFAOYSA-N 471.007 5.033 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1C 521800998 WMZDGRMZLNESMQ-IBGZPJMESA-N 479.627 5.751 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nc2ccccc21 521813019 QWBFMELGDMRSJB-VWLOTQADSA-N 479.540 5.022 30 20 JKED C=CCc1cc(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc(OC)c1OC 522105328 XGVYEYGZPGCDBP-UHFFFAOYSA-N 470.978 5.330 30 20 JKED COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 522261004 ASFATZIAQHJIAQ-NRFANRHFSA-N 473.312 5.023 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 522538625 OFJRSIWGNMKJEZ-UHFFFAOYSA-N 456.483 5.159 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 588250174 SFAQLJOXVQGWNH-OAQYLSRUSA-N 489.551 5.101 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(Br)c2C)nnc1-c1ccc(Cl)cc1 588799979 NBQJOFYUJQJGDY-UHFFFAOYSA-N 477.815 5.586 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 591533592 WNQOEKXESXEWKI-UHFFFAOYSA-N 496.808 5.942 30 20 JKED CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#Cc2ccccn2)c1 603263790 MUXAFMKYUUXEJV-QHCPKHFHSA-N 498.435 5.278 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(Cc4csc(-c5ccccc5)n4)CC3)cn2)cc1 603689937 FIPQMXVZEXBJTH-UHFFFAOYSA-N 496.596 5.219 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1Cl 603765953 FXDDHMWBSKSONQ-QFIPXVFZSA-N 476.026 6.997 30 20 JKED N#C[C@@H](C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838868 PRTBFEBFMVNNEW-INIZCTEOSA-N 484.324 5.701 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCCOc3ccc(F)cc3)cc2Cl)cc1 604135974 APQMPHQUPZLLQG-UHFFFAOYSA-N 481.911 5.057 30 20 JKED CCC[C@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 608864741 QFZJRIBMCPZPMF-SFHVURJKSA-N 487.482 5.198 30 20 JKED COc1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1Br 609068601 ORQLXSAOLJQIES-UHFFFAOYSA-N 487.375 5.018 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609072812 IIKRNTBSAFOWLQ-HSZRJFAPSA-N 494.016 5.281 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(F)cc1 609079548 CEBJEEPCEVUWPB-XMMPIXPASA-N 489.938 5.574 30 20 JKED COC[C@@H](C)n1c(SCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnc1-c1ccccc1 609176357 IDSARROCCKRKNU-LJQANCHMSA-N 499.596 5.547 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 609378891 HOMCDPRHZKDICX-UHFFFAOYSA-N 470.416 5.411 30 20 JKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c12 609381719 PLYOTHAJRQKJFC-UHFFFAOYSA-N 459.497 5.431 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 609436124 GWERESGXTYTZRV-OALUTQOASA-N 458.587 6.216 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Oc2ccccc2)cc1 609439668 VGAIVQKBLKCRBX-MOPGFXCFSA-N 459.571 5.689 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)nnc1-c1ccc(F)cc1 613938356 XCEUUOFUBTUZNW-DEOSSOPVSA-N 490.629 5.598 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nnc1-c1ccoc1C 614507597 KFVABKPLXDCSHQ-UHFFFAOYSA-N 486.022 6.119 30 20 JKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618542447 QWMSLVVASOWXSS-STQMWFEESA-N 450.354 6.213 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC(C)C)cc1 726416005 QPZGCYGZPYJMOV-HXUWFJFHSA-N 475.998 5.116 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 726573044 XKTSNBRPFHGLLG-UHFFFAOYSA-O 489.664 6.993 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1=S 726593053 XJUZQMRPFFMQIK-IBGZPJMESA-N 494.571 5.432 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(Cl)nc2)cc1 727160551 UXPHHUXJMDSABM-UHFFFAOYSA-O 496.056 5.705 30 20 JKED COc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 728062661 RZOINZIIGOAUKG-INIZCTEOSA-N 465.937 5.247 30 20 JKED N#Cc1ccc(-c2ccn(CC(=O)N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccco3)n2)cc1 728152415 KFYIQHLWWHJFRO-QHCPKHFHSA-N 455.905 5.046 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 728229857 BMRURYQOJCQXFT-UHFFFAOYSA-N 451.697 5.026 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2c(Cl)ccc(C)c2Cl)[n+]2ccc(C)cc2)C=C1 728559133 ZWCJEEQUTDEYAQ-UHFFFAOYSA-O 487.432 5.991 30 20 JKED CCCC1C/C(=C\c2nccn2CC(F)(F)F)C(=O)/C(=C/c2nccn2CC(F)(F)F)C1 728694959 NYPUWJSCOVQGPT-RWPWKDLBSA-N 460.422 5.450 30 20 JKED CN(C[C@@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1)C(=O)OC(C)(C)C 728736456 FWDJLJZHKRJELF-QFIPXVFZSA-N 492.620 5.442 30 20 JKED CC(C)n1ncc2cc(/C=C\C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c(=O)[nH]c21 729319404 JZIOBJZBEQWFTR-GIVJRHHMSA-N 471.948 5.266 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cccc2c1=O 729416706 XEJNRACTYXCKSG-UHFFFAOYSA-N 464.521 5.324 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2cocn2)C1=O 730712407 LQVMINAJGQXQGE-JOCHJYFZSA-N 497.020 5.920 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730942612 SNLCHTDICAJJPQ-WMZHIEFXSA-N 488.613 5.429 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc12 731064172 UHOGJWIWBIHACH-MRXNPFEDSA-N 490.610 5.585 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2)cc1 731305139 HPCGBHCHJISLIT-DEOSSOPVSA-N 489.597 5.008 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731305663 FUMIDCORDPDZTA-BTYIYWSLSA-N 480.977 5.162 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731310853 RNHDKBPJBQYEFX-HNNXBMFYSA-N 492.306 5.222 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 731312760 OTPYLAOIDWKYMN-MHECFPHRSA-N 488.613 5.632 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 743294476 KMZIGJNMXDFBNZ-UIOOFZCWSA-N 488.632 5.985 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)cc(C)c1 746698323 ZVLQBJSSTMKLCR-QFIPXVFZSA-N 471.598 5.220 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CSCc2ccc(Br)cc2F)c2ccccc21 747940665 GIPFQSNPHPURGU-UHFFFAOYSA-N 489.366 5.116 30 20 JKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccccc1COc1ccc(CC#N)cc1 751271928 JGVVCYTWKWUDSU-UHFFFAOYSA-N 493.972 5.343 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 818265585 QGVHGTSIAWWLHK-UHFFFAOYSA-N 451.533 5.151 30 20 JKED N#Cc1cccc(/C=C(/Cl)c2nc(O)c3cc(Br)cc(Br)c3n2)c1 834756372 OIQZDYJPWIZLPX-LHHJGKSTSA-N 465.532 5.469 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C3CC3)CC2)cc1C 837298922 AMXYBPAEVDLXBE-DEOSSOPVSA-N 494.636 5.030 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1F 837300258 AAASUBFHFLWCAM-YCRPNKLZSA-N 466.513 5.081 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2C)cn1 837426156 DFAFWJBMYVJYCL-QFIPXVFZSA-N 492.576 5.007 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3ccccn3)C2=O)cc1 837707540 LPWORBRQVWTFKH-JTSKRJEESA-N 479.005 5.765 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 837883362 FNVKOGWSIXZVES-BTYIYWSLSA-N 482.968 5.596 30 20 JKED COc1cc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3ccccc3n2)cc(OC)c1OC 893288840 SMLQHCJLHGWFAH-UHFFFAOYSA-N 473.554 5.730 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccccc2CC)cc1 912832131 QJUBNBNKEAZVOL-UHFFFAOYSA-O 488.677 6.219 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)Cc2ccc(F)c(F)c2)c1=S 913066896 WMFJKYZEHTUBBL-UHFFFAOYSA-N 450.942 5.200 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914537794 FJTUDQCYLIVXPV-MRXNPFEDSA-N 481.615 5.172 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(F)c2)cc1 914772589 FYGTZTFYFJKWHX-JOCHJYFZSA-N 481.524 5.134 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)CCC(=O)c3ccc(C)s3)n2)cc1 915099904 GCAODPXMVQCFSY-LJQANCHMSA-N 450.585 5.677 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=S)Nc2c(C)cccc2C)cs1 915911467 AQDVNQHYHXUJPG-UHFFFAOYSA-N 491.564 5.784 30 20 JKED COc1cc(C(=O)/C=C\c2cc(Br)c(O)c(Br)c2)ccc1OC(F)F 916127001 UEWMJJZRJJOWMV-RQOWECAXSA-N 478.083 5.423 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 916210762 IKTBPLFRNRZISI-IBGZPJMESA-N 461.509 5.445 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1ccc(Cl)c(Cl)c1 916217892 XZSRKEOGQSPGDP-IBGZPJMESA-N 494.400 5.157 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1C 916846977 ISZLQCQJCYMTKT-SFHVURJKSA-N 489.626 5.047 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccccc1Oc1ccccc1 916907411 YNXKSAQIYBXUND-FQEVSTJZSA-N 486.915 5.462 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1-c1ccc(Cl)cc1 916908431 MLHAXGWOXJGRDA-NRFANRHFSA-N 470.916 5.588 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916911083 VKMKGHWOEXMRPQ-GOSISDBHSA-N 459.552 5.554 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 916914813 VLRCTTXORRJFQF-OXJNMPFZSA-N 490.629 5.144 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc(-c3ccco3)nc21 916944651 KCVJZIXBEGTIGI-QGZVFWFLSA-N 482.327 5.540 30 20 JKED Cc1cc(C)c(N2C[C@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c(C)c1 917043920 PDXIGQJZUZBHHO-WBVHZDCISA-N 471.504 5.470 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917674249 PSAINBRKYKZVID-ARNLJNQMSA-N 490.673 5.199 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C(C)C)c1 917712831 IQBGIYZBNPBAAJ-FQEVSTJZSA-N 473.520 5.422 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 918220016 GLGXXHVCFHKGOE-IYBDPMFKSA-N 451.995 5.052 30 20 JKED CC(=O)N(c1nc(COC(=O)c2cccc(CC#N)c2)cs1)c1c(C)cc(C)cc1Cl 919314402 ZTJRXWQSZNQPEM-UHFFFAOYSA-N 453.951 5.521 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)n1 919419561 CWZPPVCBCQKBEB-JOCHJYFZSA-N 485.521 5.464 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc2cc(Cl)ccc2s1 920113352 VURHOQOXVXBNMH-LJQANCHMSA-N 485.952 6.367 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805898 HALBXFITXWINQL-FZMZJTMJSA-N 479.371 6.208 30 20 JKED N#C[C@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 920875838 PEQBWMPFAFSNGK-MRXNPFEDSA-N 475.492 5.920 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)N(C)C2CCCCC2)c1 922574557 NNOJAGNTLFSMJI-QFIPXVFZSA-N 489.616 5.200 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1 1318434298 SHBQFVATZSRQKO-UHFFFAOYSA-N 478.508 5.051 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(Cl)cc1C)C2 1779274225 OOWKDEHPLLUQFX-QRJOEMBSSA-N 479.448 5.198 30 20 JKED COC(=O)Nc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)c1 1785797627 YWTNPVSMMZHETR-UHFFFAOYSA-N 496.567 5.117 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5ccc(Cl)cc5nn4)CCC3)cc2)cc1 1785880246 AAAPNDSXNDMYAW-UHFFFAOYSA-N 495.970 5.145 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1)C(F)(F)F 1786115771 IUUNPAFEAISVJD-UHFFFAOYSA-N 481.858 5.043 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3C(F)(F)F)CCC2)cc1 1786366641 QCFKOWOVGPIOBQ-UHFFFAOYSA-N 474.523 5.365 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CCc3c(C)noc3C)cc2)CCC1)c1ccc(O)cc1 1786911468 FDZOXWHQHZCRSH-HSZRJFAPSA-N 499.611 5.261 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CCC1 1789077990 ONVILWUMPQZCNN-UHFFFAOYSA-N 473.649 5.627 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1789211672 IQRASIVHVKJEHQ-OIBXWCBGSA-N 483.653 5.416 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5[nH]ccc5n4)cc3)CCC2)c1 1789270510 OKHPUTBLYWQENI-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CSCc3[nH]cnc3C)cc2)CCC1 1789462292 YPOKTRUWJKIAGH-UHFFFAOYSA-N 454.640 5.078 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c(C)n1 1790082877 TZJNBXUBXMFHMJ-UHFFFAOYSA-N 487.003 5.604 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)cn4)CCC3)cc2)c1Cl 1790084047 WKDKQWIYFZVLEE-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4cc(F)cc(F)c4)CCC3)cc2)c1 1790144339 DOWSVKCZZIJDFF-UHFFFAOYSA-N 497.505 5.288 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4Br)cc3)CCC2)C1 1790636513 JSPKHDOBTBVRMK-UHFFFAOYSA-N 484.350 5.071 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1 1791106945 WUUZJAZQKRAUHX-HXUWFJFHSA-N 467.569 5.521 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1791578920 MTSJSGYEVHAEQD-MRXNPFEDSA-N 459.571 5.494 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnn4c(-c5cccs5)ccnc34)CCC2)cc1 1791583268 XBZNMWNULXDPNI-UHFFFAOYSA-N 483.597 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC(F)(F)C4)CCC3)cc2)c1 1792122374 PCGWECHQGCAKEI-XLIONFOSSA-N 451.517 5.497 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ncc[nH]5)cc4)CCC3)cc2)c1 1792124169 OGAURVVRJKQVBB-FQEVSTJZSA-N 489.579 5.765 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC)cc4Cl)cc3)CCC2)c1 1792141860 XSVUSMXAFOOFPD-UHFFFAOYSA-N 489.959 5.290 30 20 JKED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2 1793616175 HKPVNIJOVABNTJ-XARGGIHNSA-N 468.688 5.185 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnc3ccc(Cl)cc3c2)c1 1800937400 LUPLEJZBXMICDE-UZPHGZDFSA-N 472.976 5.081 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(C)C)nn3ccccc23)[C@H]1c1cccnc1 1802503034 KHIWDLYRTDQOKH-GJZUVCINSA-N 487.648 5.165 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803090057 FNBQYHSGDRHPPH-WMZHIEFXSA-N 489.513 5.328 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1803091507 NQCCCJPMMAPSNN-RDPSFJRHSA-N 496.995 5.040 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1803092068 UEXYREOWULPNDX-WNJJXGMVSA-N 495.623 5.962 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1804163952 NKBKWFJFQCTEEG-IRPSRAIASA-N 483.612 5.088 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC2(CCCN(C(=O)c3ccc(Cl)nc3)C2)CC1 1804668319 DDCRIJNVYHNDAW-UHFFFAOYSA-N 498.026 5.293 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4CCC[C@@H]5CCCC[C@H]54)CC3)C2)c1 1805328455 XAURFKQJZRSYNK-OYUWMTPXSA-N 475.677 5.329 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)CC1 1808900792 DLICAKGGJXPBPO-BKMJKUGQSA-N 476.596 5.018 30 20 JKED N#CC1(C(=O)N2CCCC3(CCN(C(=O)c4cc(-c5ccccc5)nc5ccccc45)CC3)C2)CC1 1809498184 WJYCIMVZBLQSCO-UHFFFAOYSA-N 478.596 5.050 30 20 JKED Cc1cccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)[nH]c12 1809746604 CJVQWYDWJQRBDQ-LVXARBLLSA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1 1810493875 BBFZNAHBWPMABH-HOFKKMOUSA-N 472.633 5.194 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1810503523 PSXMMNYEIRAEPP-ZJSXRUAMSA-N 482.694 5.583 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810942748 BNWSJSGPCCDHKA-KNQAVFIVSA-N 491.529 5.552 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@H](CNC(=O)c4ccc(CC#N)cc4)[C@@H]3c3cccnc3)sc2c1 1811365588 XJUKQYQEMOIVNI-SQHAQQRYSA-N 494.620 5.304 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811734833 UJZULZGGDIIOEB-CYFREDJKSA-N 493.394 5.202 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1811749252 PSNLSMPAWMFQFE-RQADYFSKSA-N 487.003 5.038 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1812114112 ZPTGOPNYHGZARS-HFZDXXHNSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1812499881 DXAISEGSFZKSRR-NQHRYMMQSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@H]1c1cccnc1 1812588513 NOXYQLUKUPSLIL-XAEMIUIASA-N 484.522 5.114 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1812592793 UHARVLATGFTHDZ-PUUVEUEGSA-N 453.586 5.280 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1812669563 FHKRPPCGMHMXOY-AUSIDOKSSA-N 498.961 5.123 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4ccoc34)[C@H]2c2cccnc2)c1 1813868567 OJEJDRKSCWNNPD-OXTYCOSGSA-N 478.552 5.088 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)c1 1813956050 NZDSUFGNWNIPLY-VMPREFPWSA-N 486.575 5.254 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(C)(C)C)nc3)n[nH]2)c1 1814352021 GFHUQVWEPOGNDO-FDDCHVKYSA-N 484.604 5.349 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814377949 XBHAZQQFFRGZOU-NTKDMRAZSA-N 487.629 5.087 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(Br)nc2C)[nH]n1 1814443530 YZMAZKHWNYCIFK-OAHLLOKOSA-N 494.459 5.235 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccccc3)CCCC2)n[nH]1)C(F)(F)F 1814684904 LZXPFOCPWNMXOJ-IBGZPJMESA-N 460.500 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)cc2C(F)(F)F)n[nH]1 1815547559 ZLDODXPYBVBZIJ-WIYYLYMNSA-N 492.517 5.571 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c[nH]1 1816112185 TYCKDQLDKJQITE-FQEVSTJZSA-N 478.984 5.180 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3occc3Br)n[nH]2)c1 1818205230 UCYRPQBJTDKZKR-IFXJQAMLSA-N 496.365 5.012 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)c1cc2c(Cl)cccc2s1 1818775033 IPVRFDQSCUGJIC-UAHQCSBISA-N 499.040 5.055 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3csc4c3CCCC4)n[nH]2)cc1 1819046843 ZGZXVAJCCZDVKT-JOCHJYFZSA-N 473.602 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1819304964 AQOGFBWQPCDQGG-VGOFRKELSA-N 465.985 5.619 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1819304966 AQOGFBWQPCDQGG-VGSWGCGISA-N 465.985 5.619 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1819305489 UVDXIXKSYJFAKP-ZCYQVOJMSA-N 456.590 5.566 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1819367181 OJMFGYAXNYNORP-ZEQRLZLVSA-N 488.588 5.081 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)[nH]n2)c1 1820209525 IGXWKHZAEQOUDK-HSZRJFAPSA-N 477.609 5.202 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)c1 1820466946 KQSLDXQLLAZZMB-QFIPXVFZSA-N 495.505 5.239 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1 1820805191 XAJIHJZQYITWNC-CTNGQTDRSA-N 487.645 5.008 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821159527 YVBPNTFZMDAWET-QHCPKHFHSA-N 477.634 5.042 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)c2s1 1821182536 SKLOTITUVOTHEV-QFIPXVFZSA-N 484.585 5.014 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)s1 1821272330 BONCEBCPBRKATP-FQEVSTJZSA-N 494.596 5.229 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccncc34)n[nH]2)c1Cl 1821415123 IKPUQAIARYBEJP-QFIPXVFZSA-N 484.947 5.103 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n[nH]1 1821856062 QCTFYRNPAMGJPG-JOCHJYFZSA-N 485.028 5.160 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1)c1ccc(O)cc1 1822468889 DXFALWIXSXZKBO-RASJMTDNSA-N 474.605 5.051 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(Br)s2)n[nH]1 1822728043 NSDHNQDCIVKSBB-CIWSBSAOSA-N 477.428 5.151 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)c1 1823671362 BYUFMXJCCARCAC-QFIPXVFZSA-N 485.415 5.116 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823679063 WVGJMNMWOQDFRW-DEOSSOPVSA-N 454.014 5.248 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3NC(=O)OC(C)(C)C)CC2)C1 1823701319 HIIMNLFBQAJZHN-XMMPIXPASA-N 481.637 5.233 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1823811212 AACVYOAODDHEQJ-AREMUKBSSA-N 490.047 5.106 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824234941 DIGLGQWCCYEBCS-XNMGPUDCSA-N 454.655 5.029 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1825467789 ONVOJXDHEAFNEC-JOCHJYFZSA-N 493.570 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)CC1 1826204415 XFMALQQXTCMFDY-QGZVFWFLSA-N 471.589 5.388 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc4ccoc4c3)CC2)c1 1827503687 NQMAWYKMMHWVAA-KBMIEXCESA-N 470.573 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cnccc4c3)CC2)c1 1828205489 HVICJYIYUVUEDY-LYZGTLIUSA-N 480.612 5.409 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828320604 VSTYVGXMSRMUTD-HXUWFJFHSA-N 477.095 5.707 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1 1828823367 FTDZBHUQNFDFBU-NSOVKSMOSA-N 477.693 5.291 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(OC)c23)CC1 1828831494 VFEUECGSDZABQH-ZJSXRUAMSA-N 463.622 5.178 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906753 FWKDXIHNGUGDFD-HSZRJFAPSA-N 499.797 5.478 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1829071718 XQECXRKZFSVVKZ-HSZRJFAPSA-N 493.614 5.645 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830109202 GUOHMBYQRIXIFE-JIPXPUAJSA-N 473.617 5.259 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830417809 IJCDYSQSVLRMTJ-OUTSHDOLSA-N 499.655 5.121 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830718934 OZCAMCLNVZFZPO-HHTJIARGSA-N 491.632 5.545 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058995 BQUZMMCMISESBL-AOYPEHQESA-N 488.628 5.392 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831304550 AWZSFUQUCHPCDX-NEDSSLFVSA-N 496.051 5.094 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cc(Br)ccc3c2)CC1 1831376076 ITOHDFFIBWTBPV-HOYKHHGWSA-N 498.465 5.443 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccc(C)cc3s2)CC1 1832029239 ZJLTYQUIQYHJTG-JOCHJYFZSA-N 451.636 5.032 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1832623558 MKLGJCYNFRBLOT-SIBVEZHUSA-N 479.571 5.447 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc3c(c2)CCCC3)c1C 10167668 RQESIGRBWPMGTG-UHFFFAOYSA-O 490.649 5.334 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1c(C)cc(C)cc1Cl 10178922 RZENECNCVKOVGZ-UHFFFAOYSA-O 458.072 6.536 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760960 NQWZBNOMLUYROB-UHFFFAOYSA-O 469.005 5.372 30 20 JKED COc1ccc(/C=C2\N=C(SCc3ccc(C#N)cc3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 11058342 CWZPSOUPAQDCRV-QRVIBDJDSA-N 489.984 5.906 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccccc2CC)cc1 11089361 FNICIYBKMVYAQF-UHFFFAOYSA-O 468.440 5.912 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(C)c1 14871809 GMNKTKYJHMHQAM-UHFFFAOYSA-O 451.615 6.563 30 20 JKED COc1cc(-c2nnc(SC[C@H](C#N)CCC#N)n2C2CCCCC2)cc(OC)c1OC 15235425 UGIVRTLCFGKQQM-INIZCTEOSA-N 455.584 5.012 30 20 JKED C[C@H](OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)C(=O)Nc1ccccc1Cl 16792735 QQYJBSZAYARCHW-INIZCTEOSA-N 493.972 5.126 30 20 JKED COc1ccccc1N(C(C)=O)c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1 22122540 ZZXAJCIVTKVCKV-UHFFFAOYSA-N 450.589 5.192 30 20 JKED CC(C)c1ccc(CSc2nnc(SCC(=O)N(CC#N)c3ccccc3)s2)cc1 22532472 IJTTVABGJIYFJX-UHFFFAOYSA-N 454.646 5.603 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 22731087 WYLYSQHOQWWRRA-UHFFFAOYSA-O 488.460 6.683 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccc(OC)c2)nc2scc(-c3cccs3)c2c1=O 23510708 KQBACJLUXFNMHS-UHFFFAOYSA-N 497.667 5.132 30 20 JKED C=CCN(Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1)Cc1ccc(Cl)s1 24716803 WPWKMMVCPYGGAA-UHFFFAOYSA-N 458.008 5.563 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 26982753 DVWASLZHXWXZMT-INIZCTEOSA-N 463.632 5.518 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cs2)cc1 32289803 DJLZVFDZAYVPTF-UHFFFAOYSA-N 469.566 5.662 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cc(NC(=O)c4ccccc4)ccc3C)ccc2c1=O 71961479 HPYJZQIIZUOWOF-UHFFFAOYSA-N 470.554 5.058 30 20 JKED CC(C)n1ncc2c(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc(-c3ccccc3)nc21 107831978 OKOCSFFZTXDIGH-UHFFFAOYSA-N 477.490 5.756 30 20 JKED CCC[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1cccc(N2CCCC2)c1 116567584 FTXFVIUZBYIRSX-VWLOTQADSA-N 498.652 5.847 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 409531484 WWRFGKYAUVLIID-UHFFFAOYSA-N 497.368 5.133 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCOCC1 483328991 YKGNZVAIKRANPF-UHFFFAOYSA-N 476.960 5.491 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)CC(F)(F)F)nnc1-c1ccc(Cl)cc1 486528061 AYGBIUBEXKSHKK-UHFFFAOYSA-N 470.904 5.061 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 487266896 WFLWWWNAGYVLBI-RTBURBONSA-N 488.613 5.026 30 20 JKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c12 487831236 FCQIWBVANIWTST-UHFFFAOYSA-N 470.495 5.765 30 20 JKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 498301013 ISOPMVDXAGSNQR-UHFFFAOYSA-N 498.988 5.861 30 20 JKED CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccc(CC#N)cc4)o3)cc2C1 499367797 GNDUZTSSCRVQQF-KRWDZBQOSA-N 466.632 5.746 30 20 JKED CCOc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c(OCC)cc1NC(=O)c1ccccc1 502765754 FLKDLHYCLGQRIL-GOSISDBHSA-N 473.529 5.014 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 504544483 DMUFPTYARYCPBZ-UHFFFAOYSA-N 493.514 5.211 30 20 JKED CCCc1ccc([C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2cccs2)cc1 505895378 ILXGHDIDGQBMTE-VWLOTQADSA-N 457.603 5.070 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc(-c2ccccc2)cs1 507023158 JOXNKNRDRMIEKJ-IBGZPJMESA-N 453.552 5.609 30 20 JKED CC(C)n1c(SCC(=O)NCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 509984382 UVUPHROAPRFLEZ-UHFFFAOYSA-N 460.390 5.113 30 20 JKED COc1ccc(CN2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1F 510025176 ZMKCVYHYBYRJEA-QHCPKHFHSA-N 492.982 5.493 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 511403435 AIRVDBGUXSAKLS-RUZDIDTESA-N 471.557 5.718 30 20 JKED C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 511423292 WAKDVJBQRFKQIL-DHIUTWEWSA-N 498.627 5.263 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(OCc2ccccn2)c1 511540004 NQPWEFFDMHHDPG-FQEVSTJZSA-N 491.551 5.667 30 20 JKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1nc2ccccc2s1 513655228 PDASMZUBSMGWSO-GOSISDBHSA-N 461.340 5.780 30 20 JKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OCc1ccncc1 513953000 IENDFKLOGUOQLI-UHFFFAOYSA-N 496.542 5.914 30 20 JKED N#Cc1c(NC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)sc2c1CCCC2 514337554 AOGORALHQXDRFK-UHFFFAOYSA-N 480.553 5.199 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F 515540931 JWFOJZIXOMTFPZ-INIZCTEOSA-N 482.830 6.275 30 20 JKED Cc1ccccc1N(C(=O)CSc1nc(C)c(C)c(C)c1C#N)c1nc2ccccc2s1 517326532 YXQBVHVSURADNZ-UHFFFAOYSA-N 458.612 6.254 30 20 JKED N#Cc1ccc(Oc2cccc(NCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)c2)cc1 517923313 FOHLGCOIFXGTNE-VWLOTQADSA-N 469.541 5.287 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 518137920 VLIYVMNPUMUXPG-FQEVSTJZSA-N 482.609 5.981 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 518248156 FVRXNHZQSMQDBX-XMSQKQJNSA-N 477.561 5.095 30 20 JKED Cc1ccc(-n2nnc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c2C)cc1 524393036 KKIFKPWAOFWLNA-UHFFFAOYSA-N 457.921 5.241 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1SCc1cscn1 551996583 PDIALGDOQPMNNA-UHFFFAOYSA-N 457.580 6.660 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1 558795857 QFKZOSHUNDUVIB-VPUSJEBWSA-N 457.549 5.577 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H]3CCc4c(Cl)cccc43)cc2Cl)c1 574777605 WSGYOCUDLHPSPD-JOCHJYFZSA-N 480.351 5.186 30 20 JKED Cn1ncc(C(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)c1C(F)F 589332678 PNFBAUWJHJKZMA-UHFFFAOYSA-N 461.337 5.377 30 20 JKED COc1ccc(CN(C)C(=O)[C@H](Sc2nc(C)cc(C(F)(F)F)c2C#N)C(C)C)cc1 602756504 SUZDMZLLEOBEIQ-LJQANCHMSA-N 451.514 5.064 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 603600839 DJBFTVPQBUZJBT-UHFFFAOYSA-N 478.487 5.422 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)c(OC)c1 603649668 DRTOZQXXNOYEDR-UHFFFAOYSA-N 492.601 5.043 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1NS(C)(=O)=O 604459653 DBNWEQMKEDUZLT-HRAATJIYSA-N 482.993 5.250 30 20 JKED Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609060163 XHBNJRGMJOSDPK-UHFFFAOYSA-N 464.934 5.521 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 609079013 WYGJLSVCGSZXOQ-SFHVURJKSA-N 456.571 6.280 30 20 JKED CCOCCOc1ccc(Cl)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 609103469 CZZQQQXIAQQDMR-UHFFFAOYSA-N 452.963 6.030 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)CC2)c1 609185049 LXMAFBRFSFSNIR-UHFFFAOYSA-N 467.544 5.848 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N 609377214 RFHOVNBHKUYIHV-SJORKVTESA-N 462.662 5.241 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)ccc1OC(F)F 609387101 LNCCXADSJRJARJ-ZDUSSCGKSA-N 456.967 6.065 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCCOc1ccc(Br)cc1 609410540 NULYICIXFLUWQS-UHFFFAOYSA-N 480.362 6.004 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 613893982 OQVQAXIQPDMYDO-HXUWFJFHSA-N 474.413 5.345 30 20 JKED N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)c([N+](=O)[O-])c1 619701460 JGVQJMGKNFMECP-UHFFFAOYSA-N 472.313 5.824 30 20 JKED O=C(Cc1csc(Cc2ccc(F)cc2)n1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620384402 MVDJOQHSZVCWJF-STQMWFEESA-N 468.438 5.441 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)N1CCc2ccccc2C1)C(C)C 639394738 PUWGZARULCMVJT-DEOSSOPVSA-N 497.064 5.398 30 20 JKED Cc1ccc(-n2ncc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2C(F)(F)F)cc1 642156945 CXRGQYHRGSNDFB-ITGUQSILSA-N 487.366 5.839 30 20 JKED COc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 642710746 KNQFYANBDDODIP-MYJAWHEDSA-N 452.317 5.745 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@H](C)c1cccs1 726421846 QECUTUAMOCQAQQ-NTTOUURBSA-N 499.580 5.193 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC)c(Cl)c2)N(C2CC2)C1=O 726892179 RREPNPVPOBGFSR-OAQYLSRUSA-N 488.009 5.260 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)c1 727330803 VKXIEIHTXQAARU-UHFFFAOYSA-N 474.941 5.487 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1c(Cl)cccc1Cl 728412172 QMKFBIJTQYJFQS-LLVKDONJSA-N 483.142 5.151 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CC(F)(F)F)C2=O)cc1 728424824 ILMKWLACPVLMSK-HXUWFJFHSA-N 482.487 5.234 30 20 JKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 728767050 TZENSCZHPFMEKO-PMACEKPBSA-N 452.432 5.862 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2scnc2C)cc1 729146791 YKDTZAFRRJYZPM-IBGZPJMESA-N 486.569 5.199 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 729631447 NJRKPUBFCFNPIN-JOCHJYFZSA-N 496.995 5.651 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(Cl)cc1 730717643 QJWVEDXRESJVHF-NHCUHLMSSA-N 492.004 5.086 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3cocn3)C2=O)cc1 730729613 NYYMOGPPTNDCQO-OXCJDURQSA-N 498.630 5.115 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1ccco1 731308754 NJZXHBWHDLXJIB-GAJHUEQPSA-N 477.586 5.139 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2ccccn2)C1=O)Nc1cccc(O)c1 731312377 KVYKPAOLHKQVGD-RUZDIDTESA-N 496.592 5.143 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)cc1 745303010 SOFSSRQCHTVHDE-IXCJQBJRSA-N 493.994 6.034 30 20 JKED C=C(C)COc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)ccc1OC 747041762 OMKOBTCZYIOLDA-UHFFFAOYSA-N 479.989 5.933 30 20 JKED Cc1ccc(N=Nc2cc(C)ccc2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 748157150 OEQPCVUHPJWPIT-UHFFFAOYSA-N 460.559 6.049 30 20 JKED CCCCn1c(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)nnc1[C@H](CC)N(C)C 764722985 COAURWWBVCLTTG-OFXNXBLFSA-N 455.672 5.064 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 791768243 CKTGIXVKQKGBCK-PJSNYGCFSA-N 473.598 5.383 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(CC(F)(F)F)C2=O)cc1 799215509 UQXDUNXJKAHBQS-IBGZPJMESA-N 477.508 5.029 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)n2CC(C)C)cc1 828709033 WFURVELLCGPQLY-FQEVSTJZSA-N 477.634 5.346 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837286475 WCOADMZNQJXXPE-WMZHIEFXSA-N 488.613 5.429 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H](C)c3cccnc3)C2=O)cc1 837301266 RMZIYFWVHQVVGU-MWTRTKDXSA-N 490.560 5.145 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(C3CCN(C(C)C)CC3)C2=O)c1 837301600 ACJONNPNDCHHNO-XMMPIXPASA-N 496.652 5.276 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 837477369 XCFKKNIWPIMHAE-PXDATVDWSA-N 486.641 6.037 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(Cc2ccco2)C1=O 838523683 ZLISTVMLBSISJX-HSZRJFAPSA-N 493.585 5.238 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C[C@@H]2CCCO2)C1=O)Nc1ccc2ccccc2c1 838595219 CKDJRWAJINQTHX-REWPJTCUSA-N 495.551 5.257 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=Nn1c(S)nnc1COc1ccc(F)cc1 839416025 XLXPBPZIQCCHFK-UHFFFAOYSA-N 491.379 5.027 30 20 JKED C=CCn1c(SCC(=O)Oc2ccc(C#N)cc2OC)nnc1-c1ccc(Cl)cc1Cl 858420277 LKXKTQCQYNLVQE-UHFFFAOYSA-N 475.357 5.016 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1 900004621 NSVWQOVNRJDFHU-UHFFFAOYSA-N 455.445 5.009 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccc(C)c2)C1=O 912771406 AVZMSSVVBLIANG-HSZRJFAPSA-N 477.561 5.303 30 20 JKED Oc1nncc(NN=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1Cl 912808663 KULHDPXGBFSJOA-UHFFFAOYSA-N 460.921 5.440 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 914481602 BOFBPTBPHPTUPG-VLGSPTGOSA-N 459.571 5.023 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2)cc1 914772742 MYJXAGVPHSHGEZ-XMMPIXPASA-N 491.588 5.441 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086013 QWDNJQWBIWOVGS-HSZRJFAPSA-N 458.359 6.076 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2sc(C(C)(C)C)nc2C)nc1 915112116 UQRYUZNTSGWMQF-UHFFFAOYSA-N 471.652 5.195 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(OC)c1 916204704 AAIUFHAIUQOWJI-QGZVFWFLSA-N 466.390 5.372 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 916205562 PUQHPCRURHNZCT-FQEVSTJZSA-N 477.989 5.093 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CC3)C2=O)cc1 916214201 KPCQTCQZDXRXHS-IBGZPJMESA-N 489.569 5.327 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2C#N)cc1 916899583 JSJZCSZRMJYCBI-OAQYLSRUSA-N 473.916 5.069 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(F)cc2)nc1C 916901324 FEYGXOSFAUAGDH-OAHLLOKOSA-N 457.914 5.189 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916911743 XARWPYAKQUMVLI-MRXNPFEDSA-N 469.353 5.663 30 20 JKED Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976298 AZBHKXPIOMQDKO-LEWJYISDSA-N 466.006 5.793 30 20 JKED Cc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(Br)c1 917043734 NDILJZZGUGGSMK-YPMHNXCESA-N 483.309 6.030 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(Br)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1 917043788 OPGZCPAWTOXAOM-GJSZBTHVSA-N 469.257 6.106 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1=S 917458007 PFGCUOOKZTXACH-UHFFFAOYSA-N 493.652 5.009 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c1 917677881 ZGAKFGKDUURYQT-ZFGGDYGUSA-N 494.636 5.030 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917704425 UWRPVAWXKHQQIM-JPYJTQIMSA-N 472.570 5.133 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(N2CCCS2(=O)=O)ccc1F 917868426 OCWKFYULCZBPKD-DJWKRKHSSA-N 496.404 5.055 30 20 JKED CN(Cc1ccc2ccccc2c1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918545747 SPTXNVOYBZXDID-FVDSYPCUSA-N 478.618 5.097 30 20 JKED CC(C)[C@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F 919207498 XXHINRRVKXEXMC-FQEVSTJZSA-N 450.482 5.017 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1csc(-c2cc(Br)cs2)n1 920104767 ZGAYZFMBFHBFPJ-CYBMUJFWSA-N 470.373 5.629 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cc(C)on2)cc1 920354733 FSQTZBWLSQKOQC-JOCHJYFZSA-N 462.575 5.014 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(Br)c(C)c2)cs1 920479596 PSURGQYSTCJKTP-UHFFFAOYSA-N 497.340 6.363 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 920867189 CGXAFDHMXJSTSS-HRAATJIYSA-N 474.026 5.200 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 920868193 JHKFNUKGMFFPOO-RDTXWAMCSA-N 480.417 5.236 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](c1ccccc1)[C@H](C)CC)C2 1779267445 VCRQOHCVRUAMCS-YDFAFHLXSA-N 466.666 5.099 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccc(F)cc4)cc3)CCC2)c1 1786031508 MVIFJFOOJDNKAK-UIOOFZCWSA-N 483.543 5.257 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC(c5ccccc5)=NO4)cc3)CCC2)c1 1786319052 KEDMGLNYWMCJMI-CCLHPLFOSA-N 492.579 5.255 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)CCC2)cc1 1786393642 IVMHZDHNVTUKER-HXUWFJFHSA-N 490.551 5.055 30 20 JKED Cc1noc(C)c1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1786911794 UOIUHZQONRNGGS-SFHVURJKSA-N 470.573 5.299 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)CCC1 1787110829 ZQIKNBUSJNRQOU-SFHVURJKSA-N 480.609 5.332 30 20 JKED Cc1cc(C)nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c1 1788350524 KYDWSCRFPCIZRM-UHFFFAOYSA-N 458.949 5.285 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)c1 1788362095 CEAKKLHDHVLENN-RUMWWMSVSA-N 495.627 5.276 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(ccc5ncccc54)s3)cc2)CCC1 1789998151 HEZLMMDUUAMSOZ-SFHVURJKSA-N 483.593 5.236 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)c[nH]5)cc4)CCC3)cc2n1 1790146583 XLCFFJPKZHUDFS-UHFFFAOYSA-N 483.959 5.458 30 20 JKED Cc1nc(Br)sc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790257428 YGRHHYBGBOREDB-UHFFFAOYSA-N 495.402 5.147 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ncsc45)CCC3)cc2)ccc1F 1790520424 UQMDVNHYHFMIHE-UHFFFAOYSA-N 484.556 5.297 30 20 JKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)ccc2n1 1790707640 NQMFSPAUHRESQG-UHFFFAOYSA-N 474.564 5.671 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)c1 1790763924 OKQLIUWJDZVDRD-UHFFFAOYSA-N 482.437 5.173 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c(F)c(Cl)c4)cc3)CCC2)c1 1790773779 QDKAOLZRIFZIAR-UHFFFAOYSA-N 471.319 5.394 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cnc(C)s4)CCC3)cc2)c1 1790795519 LUTWREPFEAHRBC-CMDGGOBGSA-N 456.571 5.093 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)cc2)CCC1 1790987634 RMJUILROBZXMPZ-UHFFFAOYSA-N 468.479 5.133 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c(C(F)(F)F)nc5ccc(F)cn45)cc3)CCC2)C1 1790994307 HUMKFPZMOZDGSS-UHFFFAOYSA-N 486.469 5.206 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791298947 HQCRWUNYYLVFRH-HXUWFJFHSA-N 491.579 5.122 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[S@@](=O)C(c3ccccc3)c3ccccc3)CCC2)cc1 1791585866 QPBKHONKSZBDFA-PGUFJCEWSA-N 486.637 5.235 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1)c1ccc(O)cc1 1791642329 FZTNORWGHJPGEM-FQEVSTJZSA-N 487.987 5.386 30 20 JKED Cc1nccn1CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791830868 QXWLXAYCFRMMLX-HXUWFJFHSA-N 469.589 5.047 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)cc1F 1791965421 JOPQIGQTAGAQCM-UHFFFAOYSA-N 485.559 5.015 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204292 WDDUDMXAAZASIA-NRFANRHFSA-N 471.642 5.416 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ccccc3c2Cl)c1 1797463773 BFFKPMXXHMYJGP-GEALJGNFSA-N 478.017 5.747 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)cc1 1799296251 VTPQJVDXASVQKK-KOUNCHBCSA-N 499.014 5.204 30 20 JKED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Oc3ccc(C(F)(F)F)cc3Cl)c1)C2 1801599491 SXNYKOYOYBZYJO-BCDXTJNWSA-N 476.882 5.036 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1802393600 QZTYKCIDLGHVJZ-DWBJNLRHSA-N 486.660 5.198 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@@H]1c1cccnc1 1802490335 AWBIZJDPPBEMDW-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CSc2ccc(F)cc2F)[C@@H]1c1cccnc1 1803487232 UXHJNWUOCUNGHV-CYFREDJKSA-N 487.616 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(C)oc3C(F)(F)F)C2)CC1 1808402455 ADEVUYVWRZJPDD-UHFFFAOYSA-N 454.533 5.444 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809210974 AJAGMBLJGFKCMR-NTKDMRAZSA-N 480.033 5.463 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)CC1 1809628763 PRWMVXAXDBDKGT-DOEKTCAHSA-N 475.677 5.364 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1810500636 UVAKVBVGHFMHNB-QDPGVEIFSA-N 498.671 5.613 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccnc1 1810501722 CKTUEXMOSXOVJK-OFNKIYASSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810602131 NWNZHBQWMJCPRG-HTAPYJJXSA-N 475.967 5.325 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811142345 YBRRKPRVAZBXSL-XERREHJYSA-N 479.930 5.286 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)[C@H]2c2cccnc2)cc1 1811889649 QKJAFHIQYJITHI-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1813053364 UCORGNGGQYDBJO-UFHPHHKVSA-N 469.560 5.011 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(Cl)c2)[C@H]1c1cccnc1 1813862865 UGCVDAJANVBAGR-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C#CC(=O)N1CC[C@H](CNC(=O)CCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814162366 ROKQOEIUNYUAME-UHSQPCAPSA-N 459.634 5.084 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1815247090 WBBKWKWXQPGGPF-CRAIPNDOSA-N 473.401 5.116 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816202640 GOGWHBRAUUCFJJ-FQEVSTJZSA-N 471.483 5.061 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)n[nH]2)c1 1816203012 PQFDFEIEWRGYAA-XMMPIXPASA-N 482.519 5.035 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)C3)n[nH]1 1817941615 GFAKRBJEUBEFGS-QFIPXVFZSA-N 462.594 5.198 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818605586 OSDAISZDCUNBLG-OAHLLOKOSA-N 455.971 5.133 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)[nH]c12 1819026359 JYUJZGXMKAZJND-MHECFPHRSA-N 480.572 5.446 30 20 JKED C[C@@H](Sc1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1819254121 MAIHQORMTFZMID-UTKZUKDTSA-N 493.658 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1819301865 UKZSITDDFSMXQH-XMSQKQJNSA-N 465.985 5.619 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)[nH]n1 1819306000 ULNMKUIKMBVCSW-WIYYLYMNSA-N 462.550 5.244 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(OC)cc3)CCC2)[nH]n1 1819309218 OWUKZOZRNDRXSO-LADGPHEKSA-N 476.621 5.301 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)[nH]n1 1819386823 KYDTYUAIWPAAQJ-OAQYLSRUSA-N 472.612 5.045 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)noc2CCC)[nH]n1)c1ccccc1 1819519305 QTNRREJRDCTJFO-FYYLOGMGSA-N 487.604 5.162 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n[nH]1 1819738505 QCINIJMNIYLCDM-KRWDZBQOSA-N 464.397 5.410 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)n[nH]1 1820212694 LETJMAGJQBNTSQ-QFIPXVFZSA-N 477.996 5.372 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)[nH]n2)c1 1820309915 NUCISESLNGOFEW-JOCHJYFZSA-N 478.512 5.129 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 1820506166 DSSJOWYXWBJUHK-NRFANRHFSA-N 482.371 5.402 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821275196 YHTRXZXTJIDESW-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(C)cc2Br)n[nH]1 1821360937 XGQVLQACRCOFBK-QGZVFWFLSA-N 499.331 5.137 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3c(Cl)cccc23)n[nH]1 1821395145 JEDZTEHQVBULBL-HNAYVOBHSA-N 466.973 5.014 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c1Cl 1823134088 LURUIWHTMDQYJZ-QFIPXVFZSA-N 473.964 5.432 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1823752445 SSTSNKZMMUSUNN-AREMUKBSSA-N 477.649 5.475 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccc(F)cc2)CC1 1823969617 SAFWKFWIDRNVKR-DEOSSOPVSA-N 458.618 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)CC1 1824127086 AYZGEZPWQSUHHI-IZLXSDGUSA-N 477.693 5.291 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CNc2ccccc2C)CC1)c1ccccc1 1827007291 ZYONVYUOHRICQM-XRKRLSELSA-N 485.672 5.224 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)cc12 1827414260 WQCZAQHGVJFVFM-OAQYLSRUSA-N 496.633 5.224 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)CC1 1827711956 MCRTWGRDTVNLJA-IZZNHLLZSA-N 474.649 5.182 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1827729899 HGMPKMZNCQKWKT-AREMUKBSSA-N 491.632 5.352 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827778853 JSBREEDBLPTOMJ-HSZRJFAPSA-N 479.587 5.515 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nccnc3c2)CC1)c1ccccc1 1828279020 PILKWAXBRVZIBX-UHSQPCAPSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cnccc3nc2C)CC1 1828536467 GZFJRMWLDIKZIY-RUZDIDTESA-N 462.638 5.164 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cs2)CC1 1828825656 ZRTGLOAQEWMMAG-PMACEKPBSA-N 479.484 5.512 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccc(C)cc2)CC1 1828827993 BFVBRBMVHSSENL-DQEYMECFSA-N 454.680 5.475 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2OC)CC1 1828830188 MLZCFSPDQBREMW-CLJLJLNGSA-N 482.665 5.025 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)CC1 1828831015 SXSYAEIFGPSARK-OZNIXHKMSA-N 479.709 5.458 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576536 CVCHIYGZGPQDML-HRAATJIYSA-N 467.660 5.001 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 1829950547 JUSBYSOAVWCARL-KBMIEXCESA-N 464.009 5.249 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830049817 PVUJVNRDBXVRTB-RUZDIDTESA-N 497.561 5.443 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830257281 MGQFXKXQADBPQA-HSZRJFAPSA-N 475.555 5.557 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 1830628906 OPKCQPHNYVEIGD-XMMPIXPASA-N 455.558 5.046 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c(Cl)c1 1830720526 AOZORSLJZCCGHQ-VWLOTQADSA-N 476.020 5.177 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)cc1Cl 1830783654 NZENIKCSMVJIAE-NRFANRHFSA-N 492.447 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c1 1831482417 JDFCXPSVEWOATN-FNWGXJQJSA-N 461.650 5.373 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCCCNC(=O)OC(C)(C)C)CC1 1831856023 MGEYAOCSGZBVRT-DEOSSOPVSA-N 491.717 5.438 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1)c1cccs1 1832387758 CLXLVARPNKWJAV-SEXVNKPSSA-N 468.663 5.077 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)CC1 1832549727 AQCVXWWDLSLYJD-XMMPIXPASA-N 459.030 5.350 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1C#N 1832704804 VMFWPXWIQDJBCB-HZFUHODCSA-N 499.655 5.382 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)cc1 1832710098 FYCYRWXEAWMDNR-HSZRJFAPSA-N 487.497 5.263 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)C#Cc4ccc(Cl)cc4)CC3)CC2)CC1 1836649004 UMPRQGQVVCIUMH-HCGLCNNCSA-N 499.095 5.297 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(N(C)C)cc2)c(C)n1C 10836722 XDOSSYJEGMRSIN-UHFFFAOYSA-O 476.453 5.353 30 20 JKED Cc1oc(NC(=O)COC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c(C#N)c1C 11751981 DOVXEABYMGLRCK-UHFFFAOYSA-N 459.477 5.170 30 20 JKED C=CCn1c(SCc2nc(N)c3ccccc3n2)nc2sc(-c3ccccc3)cc2c1=O 18330936 IXFNXSZEXPBKID-UHFFFAOYSA-N 457.584 5.129 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 21176347 XBFHMTZHNDZZCW-UHFFFAOYSA-N 493.013 5.386 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(C)c1 22212575 OLVUKHSNGIRMMV-AWEZNQCLSA-N 457.943 5.120 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(Nc2cccc(C)c2C)s1 23206056 OPVRFTMDOQMNID-QGZVFWFLSA-N 467.620 5.335 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 195677163 LTJKKPGTACIKSL-JOCHJYFZSA-N 461.635 5.279 30 20 JKED O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 198093531 FDHWGOIAVPXDSE-UHFFFAOYSA-N 459.264 5.539 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1Cl 302976869 UHXBGTCAUSTQCQ-DHLKQENFSA-N 471.988 5.415 30 20 JKED COc1cc(I)c(Cl)cc1C(=O)Nc1ccccc1SCCC#N 303265788 GECINRAQEVDINU-UHFFFAOYSA-N 472.735 5.211 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c1 410288818 LLFKGRSNMLTVGX-FQEVSTJZSA-N 499.007 5.490 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccc(Br)cc1 476570046 AUKMRBMALWEPIA-LLVKDONJSA-N 482.325 5.674 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(C(=O)NCc4ccccn4)c(Cl)c3)c2)cc1 482809002 ABCXRGBPLMZKFA-UHFFFAOYSA-N 482.927 5.581 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c3c(C)noc3n2)c(C)o1 487414625 AXLXAGDILQEQFK-UHFFFAOYSA-N 469.526 5.579 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2c(F)cccc2F)nnc1-c1ccc(Cl)cc1Cl 497366588 OIJIMKFMNBVMDO-GFCCVEGCSA-N 483.371 5.686 30 20 JKED CCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)nn1-c1ccccc1Cl 499190341 KUFBUUMVBNIUHQ-MRXNPFEDSA-N 463.950 5.105 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)cc1 500732740 IEPNLYLMBAXLBY-UHFFFAOYSA-N 479.587 5.445 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)C(=O)N(C)CCC#N 501572063 AQZVEOSQMJEVPT-CQSZACIVSA-N 460.390 5.094 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 505626705 WIOORYMZMGJKPW-UHFFFAOYSA-N 458.543 5.282 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OCc1cscn1 507900305 BMXCHYCDERWSHY-UHFFFAOYSA-N 457.511 5.647 30 20 JKED Cc1ccc(I)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 508974562 DOEMRYLZFJMQEH-UHFFFAOYSA-N 482.321 5.497 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NC3CCN(Cc4cccc(C(F)(F)F)c4)CC3)s2)cc1 511264302 CXTXMMVSJRZPFA-UHFFFAOYSA-N 499.562 5.410 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511421339 KZENOFJTUZOIEM-UHFFFAOYSA-N 470.573 5.135 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 511421648 NHBYWHBEPNBERK-UHFFFAOYSA-N 479.502 6.547 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cs1 514431093 JLRQDMUSNJIWND-CQSZACIVSA-N 482.631 5.562 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)o1 515172142 RECKHXWWFSKBDO-UHFFFAOYSA-N 455.470 5.487 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 515426675 MAZPVFHGKOUVFN-IBGZPJMESA-N 472.545 5.247 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 516528422 ZRMNFVGBOXYFCB-UHFFFAOYSA-N 482.565 5.960 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 516714229 VTSBJQUCPLHQQW-NRFANRHFSA-N 479.521 5.692 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 517875804 CNLUOMIBKNSSLK-UHFFFAOYSA-N 461.565 5.694 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccccc4SCCC#N)c23)cc1 518647729 CNLRZAQJRATECN-UHFFFAOYSA-N 476.652 6.403 30 20 JKED C=CCn1c(SCC(=O)N2CCC(OCC(C)C)CC2)nnc1-c1ccc(Cl)cc1Cl 519118535 BISKQGUAYTWJHU-UHFFFAOYSA-N 483.465 5.194 30 20 JKED N#CCCn1cc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 520496766 HXXIUVIEODTXLZ-RUZDIDTESA-N 477.524 5.160 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 521329814 OXKFDYCNCNHCIE-SFHVURJKSA-N 465.600 5.442 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)cc1C 521498366 OJMMPUWSJPTNNU-UHFFFAOYSA-N 478.556 5.289 30 20 JKED CCCOc1c(Br)cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 521725345 ACIOTPMICLPBKK-AWEZNQCLSA-N 463.397 5.751 30 20 JKED CC[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 523670191 DBQXMMAJLRSCIU-OAQYLSRUSA-N 460.390 5.142 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccco1 594518850 PSVGRNVVISGULG-AESZEHBQSA-N 453.593 5.199 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)cc1 594666753 RUIIGYCVSMRAKJ-PXTYPYQWSA-N 493.676 5.833 30 20 JKED N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c(C(F)(F)F)c1 602760432 NOFMSEZOSLYHSP-JOCHJYFZSA-N 451.404 5.119 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1Cl 603763950 DEJYKJNNZHQXOU-UHFFFAOYSA-N 476.949 5.019 30 20 JKED CCOc1c(Cl)cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 603829128 JRUMLYARRUIJNX-UHFFFAOYSA-N 452.898 5.128 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)c1 603972288 GSRBANHIOSCXEU-UHFFFAOYSA-N 455.308 5.556 30 20 JKED CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1Cl)C1CCCCC1 603982149 CWNFVUCUFQDYNM-UHFFFAOYSA-N 499.942 5.436 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 603983550 FXWXSTWPASNVCB-UHFFFAOYSA-N 478.904 5.387 30 20 JKED N#CCCCOc1cccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 604044294 FCXJJZOMRNSVTN-HSZRJFAPSA-N 464.909 5.723 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 604137962 JYNINBWHCLOGNL-UKILVPOCSA-N 473.960 5.210 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)CC2)c1 609206044 AOEFKAOTPZMGJN-UHFFFAOYSA-N 458.493 5.025 30 20 JKED CC(C)(C)OC(=O)C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609207529 CGUUFBNZVVIJIC-UHFFFAOYSA-N 469.969 5.376 30 20 JKED COc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(OC)c1OCc1ccccc1 609377376 VSCBKFUKXQOGAL-SFHVURJKSA-N 462.571 5.787 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 609435317 GCPDKSLAJMXFHI-CRICUBBOSA-N 493.654 6.339 30 20 JKED C=CCn1c(Sc2cc(C(C)C)nc3ncnn23)nc2scc(-c3ccccc3)c2c1=O 613360325 GRVYOGZGPZYALE-UHFFFAOYSA-N 460.588 5.023 30 20 JKED C=CCn1c(SCC(=O)N(C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl 614927648 VEGSITPFRQLWGH-UHFFFAOYSA-N 463.390 5.202 30 20 JKED O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618537963 COCOETHOPWLINN-PHIMTYICSA-N 473.389 5.607 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1 622332435 JPSQVVTXKDUZDI-UHFFFAOYSA-N 462.409 5.600 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccsc2)cn1 726110340 FTVKOJXTDKAVOQ-LJQANCHMSA-N 488.038 5.087 30 20 JKED Cn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1-c1ccccc1Br 726325908 WMQWOICPAJBASM-SFHVURJKSA-N 487.382 5.940 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1Cl 726396590 FTXNKXUCCJZCEK-JXFKEZNVSA-N 459.999 5.034 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)COC3)[n+]2ccc(Cc3ccccc3)cc2)c1 726573323 XJSYZJPLHGJZPH-UHFFFAOYSA-O 489.620 5.900 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sc(N3CCCC3)nc2Cl)cc1Cl 728164938 PWWADNZOWWWWEC-KRWDZBQOSA-N 457.386 5.958 30 20 JKED CN(C[C@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1)C(=O)OC(C)(C)C 728737924 WLCZODFFFYTVFE-HSZRJFAPSA-N 492.620 5.442 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C#N)cc2F)cc1 729818736 FVIOOEJJRPFUKU-XMMPIXPASA-N 497.555 5.038 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CCC2)C1=O)Nc1ccc(SC(F)F)cc1 730460256 VXVKPXGPILPQPK-SFHVURJKSA-N 461.559 5.514 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(C3CCC3)C2=O)cc1Cl 730461881 IWOUDQVAEMOOJQ-NCJDRBFGSA-N 478.039 5.352 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C)cc1 730495211 LBYHNLQONINRCU-LJQANCHMSA-N 493.601 5.307 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 730609822 RVGADUUTMPIQOB-MRXNPFEDSA-N 489.519 5.435 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccc(Cl)s2)C1=O)Nc1cnccn1 730715148 KDYHUMOSOVPQED-HNNXBMFYSA-N 492.413 5.005 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 731061593 XDURFRGPTMLUAA-SFHVURJKSA-N 473.598 5.693 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 731073489 DUDLWUAVCWNUSE-ZIAGYGMSSA-N 483.442 5.908 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cc(N)ccc2C)ccc1Cl 746478943 GKPWSQLHVNEHHF-UHFFFAOYSA-N 490.412 5.518 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCCOC2CCCC2)C1=O 747044422 RUJWHSJOYWEPJX-DEOSSOPVSA-N 495.645 5.313 30 20 JKED COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cc1OCCCC#N 747361152 CMMBJIWMOKIUFD-ULJHMMPZSA-N 452.510 5.414 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 748408864 OPAWLTWKVSRZHJ-UHFFFAOYSA-N 494.516 5.263 30 20 JKED COc1cc(/C=C\C(=O)N[C@@H](C#N)c2cccc(Br)c2)ccc1OCc1c(C)noc1C 749373971 QJUJNRLKGUTVON-FLJMFPIGSA-N 496.361 5.036 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2occc2CSc2ccccc2)n(Cc2ccco2)c1C 792738547 OYYHCTUNCLZIPU-UHFFFAOYSA-N 489.553 5.299 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N 799203012 FNHORBAUZQPRFG-MFOYZWKCSA-N 451.356 5.310 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cc(C)cc(C)c1 799217406 ORXKEAKUWVRACB-GOSISDBHSA-N 460.397 5.046 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S 836478085 ROJYUDMEFJKDJX-UHFFFAOYSA-N 483.037 5.385 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 838277749 PEKRNUQOSWLEQY-JPYJTQIMSA-N 458.587 5.366 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1cccs1 838487955 DIYIOKFELMNWNN-QFIPXVFZSA-N 493.610 5.120 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)Cc2cccs2)cc1 914694963 ZLVCQHIGWRGWGW-HTAPYJJXSA-N 479.627 5.348 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 915097833 BGNUHEJEETUJJY-GDBMZVCRSA-N 485.594 5.438 30 20 JKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OC(=O)c1ccccc1Cl 915849116 ZCTZLPJEYDHMSO-HYARGMPZSA-N 492.984 6.076 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 916211901 GVELHHBXWKYDDT-IBGZPJMESA-N 479.524 5.011 30 20 JKED COc1ccc(C(=O)Nc2cccc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)c2)cc1 916276679 GFQSFNZODUIKKK-UHFFFAOYSA-N 498.395 5.684 30 20 JKED COc1ccccc1[C@@H]1[C@H](C(=O)Nc2cccc(OCC#N)c2)CCC(=O)N1c1ccc(C)cc1 916410990 LOVJWHCKJHLJEZ-SHQCIBLASA-N 469.541 5.029 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)c1cccc(CC#N)c1 916878710 XLEGOZWHQNOKLR-UHFFFAOYSA-N 450.494 5.694 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 916889497 HMKYDTITFLKWHN-LADGPHEKSA-N 464.974 5.519 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1 916898857 IWXWXUXJHCWWGF-MAUKXSAKSA-N 488.594 5.033 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916906456 UAPBSGAFPJVBJX-NRFANRHFSA-N 471.513 5.632 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccc(F)cc2)n1 916906658 ULEHQULCKRXQJW-LJQANCHMSA-N 457.486 5.703 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)s2)cc1 916907854 XXULZTUXWLVUKK-QFIPXVFZSA-N 497.576 6.271 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1NC(=O)c1ccccc1F 916929792 AQTHQNCKRSSOGG-KRWDZBQOSA-N 484.314 5.654 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCOc2ccc(Cl)cc2Cl)cc1Cl 916939494 SHNHFZOUPDXKJZ-CQSZACIVSA-N 455.725 5.162 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946552 YLLCQRGPGDTEEP-MRXNPFEDSA-N 497.165 6.235 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1ccco1 916977708 XAQAYXZTGGSSNA-HNNXBMFYSA-N 469.979 5.303 30 20 JKED Cc1ccc(C(=O)N[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C(C)C)cc1 916995245 CWBMLFDWWOIYNB-GHTZIAJQSA-N 486.424 6.056 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996521 JOOBRBUNJYOGLN-PXNSSMCTSA-N 498.435 5.774 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045064 XVKQEIAHFNQDKL-NHYWBVRUSA-N 463.868 5.198 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1cnc(-c2ccccc2)nc1 917373528 XSLFEXWYFGTWAQ-SANMLTNESA-N 478.527 5.550 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=S)Nc2ccc(C(C)C)cc2)cs1 917533335 HYLKNSJSGVUKJN-UHFFFAOYSA-N 455.584 5.411 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3ccc(Br)cc3C2=O)cs1 917560225 JPNYANQTDVLKCM-WJDWOHSUSA-N 483.387 5.947 30 20 JKED Cc1ccccc1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1ccc(Cc2ccccc2)cc1 917612064 DZIKEJOCYGANCH-UHFFFAOYSA-O 462.598 6.068 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)cc1 917684825 MUFWTTDELLZPLS-QHCPKHFHSA-N 492.576 5.088 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc2ccccc2c1 917698991 PBJMLKSZZFOTIK-QFIPXVFZSA-N 498.004 5.109 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)s1 917702889 JICHSOLEUQQNMS-JOCHJYFZSA-N 474.611 5.343 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@@H]2CCCO2)c1 917714227 QIWDVMRGFXNHMF-SIKLNZKXSA-N 469.582 5.088 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccccc2SC(F)(F)F)c1 918165848 WGXHNYNLXUZFQL-XHPQRKPJSA-N 485.553 5.144 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1 918482766 BQPQLIWCCNRAAU-QHCPKHFHSA-N 493.357 5.582 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 920352357 MQKJQEDFUJTDTC-DEOSSOPVSA-N 484.581 5.605 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 920425534 QKZYAZZJLGOTHQ-HNNXBMFYSA-N 450.882 5.660 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OCC(F)(F)F)cc2)cs1 920481086 VQXHNEXJNUCJET-IZZDOVSWSA-N 464.440 5.804 30 20 JKED CC(=O)N(c1nc(COC(=O)c2ccccc2OCC#N)cs1)c1c(C)cc(C)cc1Cl 920633954 XTUNFUMIOKJTQO-UHFFFAOYSA-N 469.950 5.357 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c12 920679731 FVFRNZDNCWTZCE-INIZCTEOSA-N 490.491 5.067 30 20 JKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2c(F)cccc2F)cs1 920804745 YAZRKMGTAVSTJX-OAHLLOKOSA-N 464.497 5.322 30 20 JKED COc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1S(=O)(=O)Nc1ccccc1Cl 920942375 ALLIEOZYYGROJN-UHFFFAOYSA-N 496.328 5.167 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)cc1F 921253654 LLEAHZZOACATNM-BEFAXECRSA-N 497.514 5.062 30 20 JKED CSc1nc(O)c(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C#N 1127331519 CFUVAMHEFDMVSR-UHFFFAOYSA-N 450.391 5.319 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)c(Cl)c2)C1 1780368531 UKUGDOMCVRKEEK-HYBUGGRVSA-N 467.437 5.113 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)cc2)CCC1)C(F)(F)F 1786180130 HDJDKCHLIRHNOQ-ROUUACIJSA-N 464.434 5.321 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OC)c3Cl)CCC2)cc1 1786365607 MWSDQQKHTNOKKI-UHFFFAOYSA-N 486.996 5.088 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)C45CC(C(F)(F)F)(C4)C5)cc3)CCC2)c1 1786459363 LPURNKDLIMKLHB-UHFFFAOYSA-N 481.518 5.358 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1 1786591267 KLNXFUGVJHRYMA-OUNSHVDWSA-N 466.544 5.062 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CN3CCc4sccc4C3)cc2)CCC1 1786727856 FWVMKFZSHGYWAL-UHFFFAOYSA-N 463.647 5.009 30 20 JKED Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)n1 1786737361 KLGVAYZYIZOVNT-UHFFFAOYSA-N 496.611 5.429 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)CC(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1787664660 GITGKDAXSOYNCU-NRFANRHFSA-N 457.615 5.026 30 20 JKED CO[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1)c1ccccc1 1787711744 DOHODYAVZRYTGC-HHHXNRCGSA-N 467.569 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3oc3ccccc34)C[C@@H]21 1788738074 OTMVJUZOJKUZCU-QXWFJRNPSA-N 474.601 5.172 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)[nH]c2c1 1788975063 PHGUCJSRXNKCIY-UHFFFAOYSA-N 482.515 5.249 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5scnc5c4)cc3)CCC2)c1 1789341214 UXWZHSZMXURDMI-UHFFFAOYSA-N 452.539 5.229 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCC(=O)OC(C)(C)C)CCC2)cc1 1789448790 HOUKCSCLWLRCBU-JOCHJYFZSA-N 454.611 5.401 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccco4)no3)CCC2)cc1 1789508988 ZSRHAMWSVMGQQV-UHFFFAOYSA-N 489.648 5.733 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(F)cn34)CCC2)cc1)c1ccccc1 1789601027 XPPHHWJDDMDVEL-RUZDIDTESA-N 494.570 5.418 30 20 JKED CCOc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083110 OJSPRUREFLHXQH-UHFFFAOYSA-N 474.948 5.067 30 20 JKED CC(C)n1nccc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790084055 XBELQNZLKMEADI-UHFFFAOYSA-N 461.953 5.051 30 20 JKED Cc1nc(-c2ccccn2)sc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790255959 IKBORABXKYUANQ-UHFFFAOYSA-N 493.592 5.447 30 20 JKED COc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1790273451 HYHNGWWKUQADBU-LJQANCHMSA-N 453.542 5.384 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5ccccc5o4)CCC3)cc2)ccc1F 1790520413 UCHCKIGDAWVNNF-UHFFFAOYSA-N 467.500 5.434 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)c(Br)c4)cc3)CCC2)CC1 1790660831 CLQDNFVIRGYYAM-UHFFFAOYSA-N 472.770 5.154 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccc(F)cc4)CCC3)cc2)cc1 1790705236 MBPPOIRXWLLITD-UIOOFZCWSA-N 467.544 5.443 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790708022 NKIQNYQADFLBPP-FQEVSTJZSA-N 462.553 5.441 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccoc5c4)CCC3)cc2)c1 1790795063 SKRCNVHAJUUXGZ-UHFFFAOYSA-N 450.498 5.069 30 20 JKED CCSc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1 1790833965 ZKHJZHONFRBJCC-UHFFFAOYSA-N 496.596 5.003 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791583635 SXNFYOKUZWHIQY-QFIPXVFZSA-N 495.664 5.351 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)c1 1792122721 VQEZBHHVQYHYCX-FQEVSTJZSA-N 462.553 5.176 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)cc4F)CCC3)cc2)CCC1 1792229102 YJGOEDKTRJJEKJ-UHFFFAOYSA-N 470.342 5.030 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccccc3)CCCC2)cc(C(F)(F)F)c1 1792859492 RFDYUIZZDTZYEU-BKFWDETESA-N 495.545 5.341 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cccc(Cl)c12)c1ccccc1 1798244368 JGZXKMCVPTZBCF-LRSLUSHPSA-N 474.004 5.270 30 20 JKED Cc1ccc(S/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cc1 1798420333 GWSJRHRTYWYIHM-HIHMHGIJSA-N 468.739 5.290 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C2)c1ccc(O)cc1 1802420895 OYLWYDMKASACKL-XVKGIFQBSA-N 490.619 5.106 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1802501557 ZPMIKOMDNUYDSL-NZQKXSOJSA-N 454.014 5.355 30 20 JKED CCCCCc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)s1 1803685264 ZQVUYSXHFREDKS-MVWVFHAYSA-N 464.635 5.068 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)c1 1803899905 UDPCIBJIMRJEMV-BCDXTJNWSA-N 476.791 5.393 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)CC2)C1 1804862073 GMSMMYPCBMDGJA-RJGXRXQPSA-N 452.664 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1805067015 YJFOZQFOINDHIG-RWUBSVTLSA-N 486.591 5.304 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1806025739 PTOXVMHDYGCQSA-HXUWFJFHSA-N 491.657 5.332 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC2(CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)C1 1808382937 ROIZOFZWCNGJGB-CMDGGOBGSA-N 482.646 5.231 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)CC3CCC(C)(C)CC3)[C@H]2c2cccnc2)c1 1808901589 LOOHVKQXAUXOME-UADAULAISA-N 486.660 5.635 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1)C(F)(F)F 1809213560 UBNVYCNSCPIJMQ-BEFAXECRSA-N 493.938 5.388 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1810172380 JLNMWFJQBGADSL-YZUZCNPQSA-N 474.630 5.088 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2F)[C@H]1c1cccnc1)c1ccccc1 1810444877 VRAZLLCJPXVFJU-VBOOUTDYSA-N 483.587 5.046 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1812588918 WYLVIIAGUCLJFA-SBJAYZTMSA-N 477.008 5.123 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)[nH]n1 1814442116 GMOJBPSKPGXOBA-GOSISDBHSA-N 463.504 5.122 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)[nH]n1 1814828139 AARLLPBOWVDBBK-HSZRJFAPSA-N 492.620 5.281 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)[nH]n2)c(O)n1 1816242070 XOSAOGFJWQIPGO-DVECYGJZSA-N 487.604 5.129 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3cccc(F)c3)n[nH]2)c1 1817765017 XMBDRSZXWVXMPS-XMMPIXPASA-N 494.530 5.102 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(Br)nc2C)n[nH]1 1818414887 GZOKWMMSKJTXKK-MRXNPFEDSA-N 492.443 5.011 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccccc4n3C)n[nH]2)c1 1818441514 VKHVOYVEPPERPJ-MHECFPHRSA-N 480.572 5.148 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N(C)C)c3ccccc23)n[nH]1 1818609437 QIRPMGPUDZXNPO-RUZDIDTESA-N 471.605 5.128 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3cc4ccccc4o3)sc2C1 1818635440 NIKQOBAYQRRQBM-FLMNEEFCSA-N 461.587 5.283 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(F)c(F)c3)CC2)[nH]n1 1819308002 SFTZTKASCONJRJ-GCJKJVERSA-N 468.548 5.180 30 20 JKED Cc1ccc(NCCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)c(C)c1 1819461822 LBJNVNULPNWDSU-SANMLTNESA-N 498.631 5.025 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)[nH]n2)cc1 1820549890 VFMCAKSKSRBICG-FUDKSRODSA-N 473.964 5.044 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)ccc1F 1821277022 BANLCEBJSZFMIG-OAQYLSRUSA-N 465.916 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(C(F)(F)F)coc3C)[nH]n2)c1 1821324174 MTIUXOZOQKYSMM-IBGZPJMESA-N 485.466 5.130 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)n[nH]1 1821787769 IXYNNHMKDDCZBY-ZEXKXVEZSA-N 489.664 5.300 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1821919395 UOYPAKNQZWEOGS-GUYCJALGSA-N 457.987 5.191 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1)c1ccc(O)cc1 1822466464 DXFALWIXSXZKBO-FFCVWOAGSA-N 474.605 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1823217717 WXZVCLHBJPJLAB-HJPURHCSSA-N 486.963 5.182 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccc(Br)cc2)CC1 1823608295 CRHLCSTWSWDYOI-AUSIDOKSSA-N 491.470 5.050 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)cc1 1823685842 HVVNGLLEPLCRBZ-NOQRGWLFSA-N 461.650 5.081 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3NC(=O)OC(C)(C)C)CC2)C1 1823701318 HIIMNLFBQAJZHN-DEOSSOPVSA-N 481.637 5.233 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Br)cc4)CCC3)CC2)C1 1823704703 PUHSLDPSVIMMDR-DEOSSOPVSA-N 499.493 5.457 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cc(Cl)ccn23)CC1 1823752619 IQRLGZAYYCTJRT-NRFANRHFSA-N 471.045 5.213 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1824051309 HYRUZJZQSINIHX-AREMUKBSSA-N 496.026 5.146 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1824140657 BSCLHZXWUVEZHU-SANMLTNESA-N 496.602 5.357 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1824512137 DMVGVCJRQZJRMM-WXVAWEFUSA-N 460.618 5.178 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1824539248 QNKASVYRVGPWHR-RDGATRHJSA-N 496.758 5.243 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1)c1ccc(O)cc1 1824876341 YEOJLCQEQFCGQJ-UPVQGACJSA-N 492.582 5.242 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1825539914 IRJJAPKCZCWVTL-NRFANRHFSA-N 495.998 5.338 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(Br)cc2C)CC1 1826188706 SEPDMDKBAJDCCD-OAQYLSRUSA-N 490.486 5.378 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1826381790 PCPWBMWVFYRBLX-SANMLTNESA-N 480.649 5.046 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3ccccc3)n2)CC1)C(F)(F)F 1827763245 JMZHPMAWNGEJNP-QHCPKHFHSA-N 471.523 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828828447 KKQSCBQMFQGXGJ-PXDATVDWSA-N 468.041 5.823 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1828828756 RVUAFYOOLHYYHS-YADHBBJMSA-N 451.636 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1828831682 XJDPHKLBSSEGMJ-PXJZQJOASA-N 499.655 5.563 30 20 JKED C[C@@H](Cc1ccco1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828908750 VEZRWJQIEJWVKX-DHLKQENFSA-N 470.730 5.129 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)cn2)CC1)c1ccccc1 1829030478 OXAQFQHUJCRFNG-FQLXRVMXSA-N 485.672 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1829068593 GMXXCQPSDLNVIN-QFIPXVFZSA-N 485.072 5.522 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829568665 ASNFTCJBFOGXFI-WIOPSUGQSA-N 494.661 5.011 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829783675 BSOJBOLHFSEKER-AREMUKBSSA-N 493.623 5.104 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830494294 SSYAIMJFEZXWPX-WXVAWEFUSA-N 491.632 5.513 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1830769350 LYIFTBFLXKNTLC-PCUWGRHASA-N 481.596 5.560 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1831447241 QGKHTHAUIBHLDQ-FQEVSTJZSA-N 488.497 5.159 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831484065 ULWMZOXHGMFJSJ-HUSNPGIHSA-N 490.688 5.335 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1 1832024835 JKOYHAFLXGIXLL-OAQYLSRUSA-N 464.528 5.012 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 1832630703 LOMSQMCMPRIMJT-FPYVQNFMSA-N 455.602 5.260 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSc3ccccc3)CC2)c1 1832635208 WWJSIDCTFWXQKN-QFQXNSOFSA-N 475.658 5.339 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)cc1 1841006224 FDDRBCURDRHCDY-UHFFFAOYSA-N 494.620 5.218 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(OC(F)F)cc1 10172777 FWYXDOZZODOPKC-UHFFFAOYSA-O 463.476 5.467 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2scc(-c3ccc(C)cc3)c2c1=O 11019438 ZZCSAJFYUXAMQO-QGZVFWFLSA-N 486.622 5.610 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)C3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2)cc1 19005507 VQPUSVMZKHYJMZ-UHFFFAOYSA-N 498.963 5.024 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1 21127338 BSWSDQQJGDAABN-GFCCVEGCSA-N 478.361 5.465 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccc(C#N)c(Cl)c3)nnc2-c2ccncc2)cc1C 21464614 MBCWZCGDHHKJDW-UHFFFAOYSA-N 474.977 5.202 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCCCO3)c1 24858647 UBKKVSHGALYJCT-UHFFFAOYSA-N 498.988 5.135 30 20 JKED Cc1c(C#N)c(SCC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nc2c1CCC2 26523699 VYVINZJULSFPFK-LJQANCHMSA-N 484.625 5.314 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccc(C(C)(C)C)cc2)c1 28780906 WFDMCRMUGXIKKL-UHFFFAOYSA-O 496.494 6.702 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)c1 31687841 QTRNJNFVNLEETP-NRFANRHFSA-N 482.613 5.374 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1 105718351 QQUZDHWWJVRDAK-UHFFFAOYSA-N 481.017 5.526 30 20 JKED O=C(Nc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1)c1ccc(F)cc1 107868103 YUPRHYYUYHLDBL-KGLIPLIRSA-N 476.392 6.404 30 20 JKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c12 107875838 MDIATTAVICOWMO-NRFANRHFSA-N 455.949 5.715 30 20 JKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(NC(=O)Nc2ccccc2)cc1 108602175 KVQOFANGFCPBIU-HXUWFJFHSA-N 460.537 6.360 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1nc2ccccc2n1C(F)F 195557460 FXQYOLHJLUDZQC-CQSZACIVSA-N 497.855 5.591 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 216151024 AUGWHSPIIKBYGG-UHFFFAOYSA-N 458.871 5.177 30 20 JKED C=CCn1c(SCc2csc(-c3ccsc3)n2)nnc1[C@@H]1COc2ccccc2O1 247997560 MYHBBDAUYDBBKV-SFHVURJKSA-N 454.602 5.454 30 20 JKED Cc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cnn1-c1cccc(C(F)(F)F)c1 487839220 IYPYHXOVODXJQW-UHFFFAOYSA-N 466.385 5.276 30 20 JKED C=CCN(C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1nc(C(=O)OCC)cs1 501953189 XBXNWWYFAGAXGE-UHFFFAOYSA-N 490.006 5.428 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)n2)cc1 507055192 UIFXTBQLPWNZPF-HXUWFJFHSA-N 467.579 5.918 30 20 JKED N#Cc1ccccc1OCc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 507773238 ROOHPHDSDWDBGX-UHFFFAOYSA-N 480.549 5.398 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1 508156479 HXQXJOMPNCRWJQ-UHFFFAOYSA-N 480.568 5.288 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 508278109 JYJXNCBDRDNTGI-UHFFFAOYSA-N 476.577 5.052 30 20 JKED C=CCn1c(SC[C@@H](O)COc2cccc(C(C)=O)c2)nc2cc(-c3ccccc3)sc2c1=O 508565836 URNVFKCQJDVSFZ-FQEVSTJZSA-N 492.622 5.046 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCOc3c(CC)cccc32)nnc1-c1ccc(Cl)cc1 509812496 USFAXWNGTGVKJB-FQEVSTJZSA-N 469.010 5.079 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)cc2Cl)cc1 511615733 XHTKDFLVAHTZRF-IBGZPJMESA-N 499.958 5.371 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)c1 512311141 WJIKLPXOGFTLOY-UHFFFAOYSA-N 497.986 6.028 30 20 JKED COc1cc(C#N)cc(Cl)c1OCC(=O)Nc1c(Br)cc(C)cc1Br 515313723 RUBZOZCHTAEOQE-UHFFFAOYSA-N 488.563 5.071 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1nc2ccccc2o1 516714098 PKLYTVGBJIBHTO-SFHVURJKSA-N 460.287 5.333 30 20 JKED N#CCCN(C(=O)CCC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1ccccc1 518725705 OKACNSYJNALYAB-UHFFFAOYSA-N 467.569 5.022 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2Br)on1 520783135 KIULULCCBHAWOW-UHFFFAOYSA-N 488.341 5.372 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 520855437 NEBFMWSMQYXIPU-WINIVTDRSA-N 487.625 6.135 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 521726887 MWSZJRJXIAAQNM-GCJKJVERSA-N 484.581 6.067 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1C 524052930 ZWVOEFYQJGFQDO-QHCPKHFHSA-N 483.399 5.601 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)o2)cc1 524432475 HTLJWQRVICBCHK-LJQANCHMSA-N 494.359 6.651 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2nccn2C)cc1 524439019 CIYDHPIVIKDGGY-AREMUKBSSA-N 481.556 5.099 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)s2)cc1 589196004 CFUDMBKJJRZTKT-SJORKVTESA-N 460.506 5.463 30 20 JKED C=CCN(C(=O)COc1cccc(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458947 STMJTVMXJPFBBV-UHFFFAOYSA-N 474.336 5.079 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc(F)c(Br)c2)cc1 604086037 XRHVVMOWMAPOOX-UHFFFAOYSA-N 482.353 5.597 30 20 JKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 604140817 NWPHHPRDZAXHTC-AREMUKBSSA-N 469.585 5.564 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cc(Br)c2c(c1)OCO2 604438247 QFSGDGOXDQSHIG-UHFFFAOYSA-N 467.344 5.131 30 20 JKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604522814 BDIALZRNIAVYJG-BVAGGSTKSA-N 468.557 5.442 30 20 JKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604522923 XPVBDLYAFLNTBK-RIACCQAKSA-N 474.004 6.627 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3sc(-c4ccccc4)nc3-c3ccccc3)CC2)nc1 608951028 NJJNNBUSXGOTRW-UHFFFAOYSA-N 465.582 5.143 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc(OC)c1OC 609007042 CBBBZABKPZGHAU-INIZCTEOSA-N 477.369 5.742 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc(OC)c1OC 609007531 PXKSORALKKRQJA-HNNXBMFYSA-N 478.357 5.137 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]nc3-c3ccc4c(c3)OCCO4)cc2Cl)c1 609077579 FTJARLZEAZTHRA-UHFFFAOYSA-N 486.915 5.204 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079389 BAOGYGKPRFZVDI-UHFFFAOYSA-N 477.008 5.906 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2Cl)c1 609080947 XHMOUSZNDAHNRM-QFIPXVFZSA-N 489.000 6.769 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C2CC2)cc1 609084999 IAAFONXEOKMSRK-VWLOTQADSA-N 489.959 5.005 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609086694 UQHABPWJBCWBBZ-XMMPIXPASA-N 489.959 5.101 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 609375996 SNNDOQXSMAXMCN-UHFFFAOYSA-N 480.387 5.959 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F 609379103 SEHBKKTYWKOJEQ-UHFFFAOYSA-N 472.407 5.670 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 609437034 LPSFWYDRAQLWSN-NZQKXSOJSA-N 479.646 6.062 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)cc1 613314275 HYLGHVWFRWLEBN-JOCHJYFZSA-N 479.627 5.029 30 20 JKED O=C(NCc1ccc(COCC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618499971 SGUVSHCTAGYGHZ-KBPBESRZSA-N 466.344 5.038 30 20 JKED COc1cccc(CCC(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1F 622518055 VDNJXDFMLIVQKU-GOSISDBHSA-N 479.392 5.405 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc2ccccc2c1C(F)(F)F 642158955 YXNRDVAQQUNUDV-NXEZZACHSA-N 458.324 5.893 30 20 JKED C=CCn1c(SCc2csc(Br)c2)nnc1[C@@H]1COc2ccccc2O1 642249996 AEIINFZNTXXAGW-HNNXBMFYSA-N 450.383 5.093 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)CCCC(=O)N2)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281693 OZFWAGHYZYPZMF-MRXNPFEDSA-N 456.354 5.882 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1[C@H]1COc2ccccc2O1 645077567 JVFZTCBWPZYZHJ-FZKQIMNGSA-N 491.400 5.403 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(CC[C@H](C)OC)C1=O 726391605 AWMHUUFULCESQU-FDDCHVKYSA-N 483.634 5.204 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1C 726396697 FZZCHHXIBHJJQA-REWPJTCUSA-N 467.635 5.306 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406953 NISZBFWWMUEBPE-KSFYIVLOSA-N 489.988 5.328 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S/C1=N/[C@@H](C)c1cccs1 726420607 IWSQKRBUCNXCMM-JCPNLMEESA-N 481.643 5.328 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@H](C)c2cccs2)c1 726420616 IYSNARLBWVRHAL-NSJWOJMJSA-N 479.627 5.347 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)s2)cc1 726572327 YTDRCVDTJTUMOC-UHFFFAOYSA-O 489.473 6.835 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)cc2)[n+]2ccc(C(CC)CC)cc2)c1 726573018 VRBVTQMTEGHRRX-UHFFFAOYSA-O 457.619 6.191 30 20 JKED COc1ccc(NC(=O)c2ccccc2SCC#N)cc1OCc1ccc2ccccc2n1 728036517 RSTRBNARLDBFCI-UHFFFAOYSA-N 455.539 5.690 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 728185021 CYRBPUBESLGVBF-UHFFFAOYSA-N 453.464 5.125 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2C2CCC2)c1 728191746 PLQYMADAKMJBJQ-QFIPXVFZSA-N 489.037 5.135 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c1C 728776999 HQLIXKAFELQTKC-OAQYLSRUSA-N 452.555 5.097 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c1 728778555 SOJVSZLEDKYFJQ-NRFANRHFSA-N 452.555 5.097 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1 728780564 UKLJSHDQGQQYIE-JOCHJYFZSA-N 499.036 5.701 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(C3CCC3)C2=O)cc1 730462937 QXJBXEGHDMAERT-PDNRQDKUSA-N 457.621 5.089 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2c(C)cccc2C)s1 730710395 JZHDDRSMTQLBJJ-IEBWSBKVSA-N 479.631 5.185 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)c3cccnc3)C2=O)cc1 730944768 FYKGMZYWLZSCRC-UUOWRZLLSA-N 499.596 5.073 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)cc1F 731307190 DFPXMAKYMDGVFM-QHCPKHFHSA-N 499.608 5.149 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccn2)cc1 731309175 UGKORIOOWLVQSO-QHCPKHFHSA-N 474.586 5.071 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@H](C)c2cccs2)cc1 731312980 UUZITOZIJXHBBK-RDPUQTLISA-N 495.626 5.052 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3c(C)noc3C)C2=O)cc1 743524135 HQLQYFHAWFUXMC-QFIPXVFZSA-N 480.565 5.208 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 743524400 JRLFGGILNGWPTE-YADARESESA-N 490.604 5.867 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 745313917 ZSWQEVGDPZFIKX-KSSFIOAISA-N 460.477 5.480 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 746696854 WDQJFNRUQJSAGT-FQEVSTJZSA-N 477.989 5.256 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(CCc2nccs2)C1=O)Nc1ccccc1 747603695 WBKVLSJIFYPJKN-QFIPXVFZSA-N 486.622 5.499 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1OC 808069691 GDTYEHIPZDBMPT-IBGZPJMESA-N 487.610 5.232 30 20 JKED Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)c12 813388553 MCXAPIBMRVQINY-AWEZNQCLSA-N 494.429 5.273 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCN(C2CC2)CC1 837285525 OTBNLWUUKRWQTP-HSZRJFAPSA-N 494.636 5.030 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N([C@H](C)c2ccccn2)C1=O 837381839 PGVYOPXASZUNJT-WZONZLPQSA-N 474.586 5.120 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C3CC3)CC2)c1C 837402779 VJAONCBBYMUZSF-DEOSSOPVSA-N 494.636 5.030 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 837882221 MFJYWQYCXUMVJY-HRAATJIYSA-N 464.978 5.457 30 20 JKED COc1cc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCc1c(C)noc1C 914502601 WDSINPIDGVLNLW-ACCUITESSA-N 459.546 5.201 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 915085773 BSXMHQUOCFRXOC-XMMPIXPASA-N 467.598 5.579 30 20 JKED CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)CC2)cc1 915102368 QYRRHSUCHWEOKF-QHCPKHFHSA-N 493.654 5.211 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(CCc2ccc(C)o2)C1=O 915111123 JEGBHEXPVHLWBH-HSZRJFAPSA-N 495.576 5.247 30 20 JKED C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(CC)cc3)s2)cc1OC 915112719 IGFCYRQACAOKCJ-AQTBWJFISA-N 455.967 5.663 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(Cc2ccccc2)n(-c2ccc(Cl)cc2)c1=S 915796044 QUSRUKCNHAEAPK-UHFFFAOYSA-N 475.021 5.416 30 20 JKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 916152019 JXCQWWNWQKDJQX-DTQAZKPQSA-N 498.608 5.005 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1F 916204541 AEYOJPZONAODNB-SFHVURJKSA-N 478.387 5.205 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 916204674 CQUHKJGOZPQHLV-SFHVURJKSA-N 467.488 5.605 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccccn3)C2=O)c1 916211511 OXSRFUJTFXLJQW-JOCHJYFZSA-N 479.005 5.512 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1 916215433 VOUNJXBIVCXWSC-LJQANCHMSA-N 461.509 5.391 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1 916891016 RAOZFJWQYHSYPH-QHCPKHFHSA-N 455.489 5.263 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1CC(F)(F)F 916908049 KSZWZPZBNWTCDY-LJQANCHMSA-N 455.436 5.421 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2C)cc1Cl 916919331 WKDJCULMBVIKHC-HSZRJFAPSA-N 470.960 5.494 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2)n1 916940172 SKQZNWVEDNAKNS-INIZCTEOSA-N 459.955 5.498 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977439 QQKCJEXOKJLLQL-SFHVURJKSA-N 465.991 5.321 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997861 ZBMSKKLWNHGGPS-KRWDZBQOSA-N 490.437 5.974 30 20 JKED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042963 IJGZGQHSWNEEMV-WMZOPIPTSA-N 489.519 5.627 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045061 XVKQEIAHFNQDKL-ABAIWWIYSA-N 463.868 5.198 30 20 JKED COc1cccc(C=Nc2cccc(NC(=O)c3ccccc3I)c2C)c1O 917558313 KZCRUEVVBSLLEI-UHFFFAOYSA-N 486.309 5.317 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 917784718 ZWXNPTKLKKAJAH-UHFFFAOYSA-N 456.974 5.877 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 920016521 DAHMBFPLBIWHED-UHFFFAOYSA-N 452.264 5.582 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)cs2)cc1 920365558 WZNVQGUCUAPZED-UHFFFAOYSA-N 476.414 5.767 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc(OC(C)(C)C)cc2)cc1 920480166 ZHLUGOAXGODQDM-HSZRJFAPSA-N 495.645 5.063 30 20 JKED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(-c5ccc(CCCC)cc5)cc4)C3)C2)C1 1781504815 YMWNBPYLTWYATP-SSEXGKCCSA-N 472.629 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(Cl)cc2Cl)C1 1781676591 AZTHVGORJATQDK-ZEQKJWHPSA-N 493.475 5.208 30 20 JKED Cc1ccccc1NCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1788109166 YWOMNVIRNJQKFE-UHFFFAOYSA-N 466.585 5.046 30 20 JKED COc1cc(F)ccc1CC(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788648584 MPSIXNOZPADRGX-VAWYXSNFSA-N 492.572 5.012 30 20 JKED Cc1cc(C)n2ncc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)c2n1 1788977569 HVYVISSQKZEKHZ-SFHVURJKSA-N 492.583 5.035 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)c1 1789327988 VUHDLTXPFHYQRX-HXUWFJFHSA-N 474.564 5.923 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC1(c2ccc(NC(=O)/C=N/N3CCCCC3)cc2)CCC1 1789513735 QTNMFTYDHMZTRS-MTDXEUNCSA-N 464.610 5.105 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4cc(C)ccc34)CCC2)cc1 1790569804 SKMWUSLMHCCKDS-LOULHMMLSA-N 472.589 5.425 30 20 JKED Cc1ncc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)s1 1790785161 QRESGTJNAQYJIT-UHFFFAOYSA-N 484.503 5.404 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CO)c(F)c4)CCC3)cc2)c1 1792123841 CUQLMASCTQQOMY-SFHVURJKSA-N 471.532 5.007 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c4CC[C@H]5C)CCC3)cc2)cc1C#N 1792168510 KMRPNFLZJFHLME-GOSISDBHSA-N 497.599 5.180 30 20 JKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cn1 1792169434 JXSJSNNGQMBXNK-UHFFFAOYSA-N 482.584 5.039 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3occ(Cl)c3c2)c1 1799329419 PBNZFBWVFATGKJ-KQLYMOGASA-N 461.949 5.279 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1802374356 XUVAEZSPZYKLFI-SQJMNOBHSA-N 477.008 5.304 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CCCCCCCCCCC(=O)OC)[C@H]2c2cccnc2)C1 1802418184 OGIQLIWMDVBGFB-YWEHKCAJSA-N 497.680 5.128 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1802495391 LATRCBHTYFRBLT-AVRDEDQJSA-N 474.432 5.700 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1802501074 RTRHUHILUCAFRK-BWKNWUBXSA-N 481.612 5.320 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@@H]1c1cccnc1 1803084168 OSYXUCAMIILPTG-CPKITBKRSA-N 498.627 5.059 30 20 JKED Cc1cc(C)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)c(C)c1 1803567488 RZETVPUNFDDCNM-KOUNCHBCSA-N 469.507 5.068 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc([C@@H](C)C#N)c3)C4)c[nH]c2c1 1804522826 WGBHAKWVHVNYPQ-MLJCPRRESA-N 466.585 5.069 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@H]1c1cccnc1 1804860853 IYSRMZFCWCYUJS-RBJSKKJNSA-N 498.627 5.173 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1805047755 XILPLKMHJCAWAU-UHFFFAOYSA-N 468.601 5.001 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1805524796 VKCOEORIAUJVPC-XXBNENTESA-N 488.129 5.167 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)CC1 1805623778 WPYDWRVHSLAUKH-ZLHNRXBCSA-N 487.084 5.436 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2C(C)(C)C)[C@@H]1c1cccnc1 1807782504 QASBWXGBVUPRPU-GGAORHGYSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1807846715 XJGSDEYUNVOWPW-LBNVMWSVSA-N 496.655 5.764 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(C)C)nn3ccccc23)[C@@H]1c1cccnc1 1807920491 KIECMNXSQLAEOI-NVQXNPDNSA-N 487.648 5.165 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1810177960 JPPIDVYQYIRQME-ZRGHIBABSA-N 477.571 5.225 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cccnc4C(C)(C)C)C3)CC2)c1 1810303232 VGWATRHKVDEQHA-NRFANRHFSA-N 472.633 5.165 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c1 1811119880 VMYSSZKUGBJLNV-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1811164051 VJUBAEUHYMSFNJ-LBNVMWSVSA-N 480.612 5.232 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1812451273 OADHEIXNBFXOET-XMSQKQJNSA-N 496.385 5.238 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)[C@@H]2c2cccnc2)C1 1812514303 MZTMDXVRRYWAAF-SDUSCBPUSA-N 466.025 5.147 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812803969 HPTXKLCNHDZNJZ-AZGAKELHSA-N 453.671 5.852 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccccc3)CCC2)[C@H]1c1cccnc1 1812993866 QFDYBAVFALMQKU-UKILVPOCSA-N 459.634 5.202 30 20 JKED CC(C)C1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CCC1 1813665071 DPBXOKURLDBVQX-NZQKXSOJSA-N 498.549 5.118 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)c3ccc(Cl)cc3)n[nH]2)c1 1814659354 GRDFGYFIXLVGOT-WAIKUNEKSA-N 491.979 5.053 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1814829778 UCEXCBJZDWWLJL-QFIPXVFZSA-N 465.985 5.619 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCC(c4ccc(Cl)cc4)CC3)[nH]n2)CC1 1817106082 LITOOJSYSQRMIA-RKOYOZNISA-N 480.012 5.333 30 20 JKED COc1ccc2oc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)cc2c1 1819004091 PRBZLHCOWPCRCN-GAJHUEQPSA-N 497.555 5.411 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)[nH]n1 1819303091 CPUBOOWQCCHUHB-FPOVZHCZSA-N 489.542 5.217 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCCC)cc2)n[nH]1 1820640374 QJTWFUDMRHJLEQ-FYYLOGMGSA-N 450.583 5.273 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)oc2ccccc12 1821182658 VXOCORTWKQWWFI-QFIPXVFZSA-N 467.529 5.150 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)[nH]n2)c1 1821273194 BPWPRRGDFYDBDH-RUZDIDTESA-N 494.530 5.102 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)n[nH]2)C1 1822489154 JGVYUWYEVPKUOX-IBGZPJMESA-N 480.918 5.283 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c1 1823210278 BGJIFAQVRLTDKW-IVZQSRNASA-N 479.943 5.449 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)C1 1823701593 NKJHIPOZRZMHGY-DEOSSOPVSA-N 451.998 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1823752305 BZYVAGNEAVZPRC-VWLOTQADSA-N 493.648 5.576 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3c(Cl)cccn23)CC1 1823752326 COJQZHVSNMNWOO-NRFANRHFSA-N 471.045 5.213 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1824510091 JJGNCEMCIXGMCE-UQBPGWFLSA-N 484.040 5.021 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1824538968 UTEZFMIYWNWXPG-CTNGQTDRSA-N 462.656 5.228 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824631830 JJVUULVIZFINAO-FQEVSTJZSA-N 465.972 5.126 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1824957704 SUBDQVDTHOEKBC-SANMLTNESA-N 477.674 5.210 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3scnc3C3CC3)CC2)c(Cl)c1 1825651338 QPWRFPYTBSSXKD-OAQYLSRUSA-N 483.037 5.093 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC(C)(C)C)CC2)cc1C#N 1826337579 MSTUSLVVHZGDDL-HSZRJFAPSA-N 453.627 5.015 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(Cl)cncc4s3)CC2)cc1 1827266278 MDPJOMLQCZLEEF-JOCHJYFZSA-N 493.032 5.368 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1)c1cccs1 1828550578 BKBUJUHDQIBAGS-DKFQHHCZSA-N 498.695 5.697 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccs2)CC1 1828903440 ATRLWGSJCNROPM-XMMPIXPASA-N 472.771 5.352 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828906552 SOLGYZYLSVSILR-SANMLTNESA-N 495.715 5.591 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(NC(C)=O)c2)CC1 1829068585 GGUGAFJPNMCGLF-VWLOTQADSA-N 467.654 5.179 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)CC1 1829068968 BAIGJKSUGACLRQ-MJTJJFPGSA-N 466.691 5.486 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 1829069320 WAYYNOYGCRNEDW-NRFANRHFSA-N 465.560 5.326 30 20 JKED C[C@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CC=CCC1 1829692597 KGCPKSZEJZOLDD-NVQXNPDNSA-N 454.014 5.191 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)CC1 1830590725 PDTSOQPAWBBSOA-NVQXNPDNSA-N 451.655 5.122 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1831510491 ULUPJMHRDBEXRM-FQRUVTKNSA-N 461.581 5.124 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1831521047 WSAAHBFTUIEOEK-MUUNZHRXSA-N 471.645 5.052 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)CC1 1831718287 PAQHTPQPGKFALY-FIUWIIBXSA-N 468.613 5.236 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1831841006 ULDXQPCVMZDDLI-KSSFIOAISA-N 495.508 5.215 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1831858031 BPGJVCMNEQCKES-RUZDIDTESA-N 457.618 5.624 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1831922058 VHEUREDIIGTAHN-RWPDHJIBSA-N 490.619 5.220 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1832631747 HMTFXLZGTDDMFD-HXOBKFHXSA-N 499.442 5.563 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)n3)CC2)c1 1832633511 IKFDNWITXJEPHR-WZONZLPQSA-N 498.549 5.275 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1)C(F)(F)F 1832747417 HHXMDEMBDVVBFP-OAQYLSRUSA-N 493.570 5.023 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)CC1 1836696622 LSRMGQDYOFXOCE-WDDWZANVSA-N 470.698 5.360 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 1836882988 MUWFWMFTFASGEB-AREMUKBSSA-N 496.673 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 1838373399 MAIQXDMYQGTAAW-HSZRJFAPSA-N 496.545 5.225 30 20 JKED Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2sccc2C#N)nc2ccccc2c1=O 10367128 FDMFXJDJZDPBBT-UHFFFAOYSA-N 466.975 5.012 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2C2CCCCC2)cc1OC 11382684 WMVKWNRBOAJZID-KRWDZBQOSA-N 491.617 5.458 30 20 JKED Cc1ccccc1-n1c(SC[C@H](O)COc2ccc(CC#N)cc2)nnc1-c1c[nH]c2ccccc12 15234458 ZKFUIXADKZTBLG-OAQYLSRUSA-N 495.608 5.322 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCCCCC2)nc2scc(-c3cccs3)c2c1=O 16986904 PTWBTVILYARMTB-HNNXBMFYSA-N 459.662 5.256 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2cc(-c3ccccc3)sc2c1=O 21494315 IFOLDGBEUNJQHB-UHFFFAOYSA-N 461.612 5.659 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)n2C)c1 22048663 NBYBDOQTDAJCAH-KRWDZBQOSA-N 453.999 5.180 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccccc2CC)c1 22732252 HMIGEJVNZMGUEL-UHFFFAOYSA-O 468.440 5.912 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cccc(Br)c2)cc1 22732648 FXMRLKYZYKZWQC-UHFFFAOYSA-O 499.410 5.567 30 20 JKED Cc1ccc(-c2nnc(SCc3nc4ccccc4c(=O)n3CC#N)n2-c2ccc(Cl)cc2)cc1 23263780 AQLDJRJODHHDGF-UHFFFAOYSA-N 498.999 5.422 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccoc1C 23519369 HSECEUQSHQMPPX-SFHVURJKSA-N 460.559 5.944 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 25838768 OKQPOVYPALWTII-UHFFFAOYSA-N 486.428 5.970 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(NCCc2ccccc2)s1)c1nc(-c2ccccc2)cs1 26113645 IJHFAJJIEHVTPG-SFHVURJKSA-N 477.640 5.285 30 20 JKED O=C(CNc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)Nc1ccccc1C(F)(F)F 72037247 OYAYRPHGQLVYCT-UHFFFAOYSA-N 499.386 6.166 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 195647309 YAAFLSWGQTUKHA-OAHLLOKOSA-N 495.029 6.174 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 195650029 QJPWOYHQTUASBP-HNNXBMFYSA-N 468.848 5.388 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1OC 210545091 LCDRQYFRYYCJQC-YBEGLDIGSA-N 492.597 5.330 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)cs1)c1ccc(F)cc1F 212110353 NCRRUPSUOYKAHU-XFXZXTDPSA-N 460.505 6.254 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(C)c1 252626810 RGAHOSKAQIGRLY-LJQANCHMSA-N 461.509 5.469 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)Nc1ccccc1)c1ccccc1 302898866 MPAFRYOPMLCZSZ-XMMPIXPASA-N 491.016 6.169 30 20 JKED C[C@@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl 494358862 CFVMUIOBJUZBHT-GFCCVEGCSA-N 476.295 5.309 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1 501132565 MPIOILYLRXGOMP-QHCPKHFHSA-N 478.346 5.718 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1SC 503578762 HYWTWSGBJYHOFI-ZDUSSCGKSA-N 494.381 6.246 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1ccccc1F 504280543 JRUXGOQHBQPYCT-UHFFFAOYSA-N 493.589 5.315 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2C#N)o1 504917069 BZZJJMWRKCWVDI-HXUWFJFHSA-N 481.346 5.479 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 508263382 DOQJEWUECGDPSX-HNNXBMFYSA-N 477.471 5.987 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 508287724 LFSDARPUDIAXDL-UHFFFAOYSA-N 488.519 5.381 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1Cl 510003570 CPICTTKGGVOBDO-QFIPXVFZSA-N 470.964 5.450 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(OCC)c(OCC)cc1Br 511029256 LGGYGCLOWIKNKW-UHFFFAOYSA-N 451.336 5.606 30 20 JKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)o1 511532903 OIQZPEOZIQYKSL-SIBVEZHUSA-N 483.568 5.178 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 511846543 UWWIUEXWNKVNBU-SIBVEZHUSA-N 453.542 5.289 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)s1 513653453 FJLIZVOBSPTWED-HNNXBMFYSA-N 482.359 5.465 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 513946084 GRUKCDKYLNXWLY-UHFFFAOYSA-N 465.912 5.746 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)CC2)c2ccccc12 514312722 FLZKIFYNOPUTAP-UHFFFAOYSA-N 496.592 5.334 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1Cl 514575673 IENJPCCGULFDTM-JOCHJYFZSA-N 459.958 6.283 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)CC1 515706043 XSSKJSDKQUCUAP-UHFFFAOYSA-N 486.959 5.909 30 20 JKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 516365865 TZKLJNLEPUIWJI-UHFFFAOYSA-N 476.580 6.443 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 517517694 HMKXIWPFXLQELW-IBGZPJMESA-N 491.638 5.080 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(OC)c1 518739106 NYSDPNVRRRNMMU-LJQANCHMSA-N 499.636 6.818 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 519162257 WYZHSFXLHYIMFE-NRFANRHFSA-N 457.877 5.342 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 519876544 RRYBVDZTGLLDMW-XMMPIXPASA-N 477.948 5.324 30 20 JKED CCc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccc(F)cc1 519941518 FUYNPSITBDUFPW-HNNXBMFYSA-N 452.461 5.466 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1-c1ccccc1 520833443 BJEFKBZCZPVKTQ-KRWDZBQOSA-N 469.532 6.817 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 521191813 ZEOXXYVQKHMBJX-MRXNPFEDSA-N 473.916 5.908 30 20 JKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 521328336 NVDLGTVLNIQRBK-LLVKDONJSA-N 479.343 5.663 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)cc2F)c1 521546998 QGKDVMLYGVWNRM-RUZDIDTESA-N 475.495 5.012 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1C 523276121 CRCGHMLNJRYEFC-QFIPXVFZSA-N 498.562 5.290 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)CC2)c1 523793896 FLOKAVLFXYSYEP-UHFFFAOYSA-N 495.988 5.043 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c12 523961441 NYUGDVYOYAIGKG-MRXNPFEDSA-N 461.403 5.572 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1cccc(OCc2ccccc2Br)c1 524235206 RSVYHBZLFAQQSB-UHFFFAOYSA-N 466.335 5.358 30 20 JKED COc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc(OC)c1Br 524335298 KOSVXSHNICBVSB-FQEVSTJZSA-N 481.346 5.040 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 524565674 CRMWBZBYFAWCKN-OALUTQOASA-N 469.630 5.102 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCNC(=O)CC2CCCCC2)cc1Cl 549319280 MWOUWBIRTZVLRA-QFIPXVFZSA-N 452.986 5.204 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)nc21 552969778 YIJGMODLXDUXAW-INIZCTEOSA-N 476.631 5.372 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc4ccccc4c3)o2)c1 603726520 OEVITENDGZATAH-IBGZPJMESA-N 456.571 5.934 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4cccc(Br)c4)n3)cn2)cc1 603765734 XBBAHZNETIXKMM-UHFFFAOYSA-N 491.370 5.813 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1Cl 603765952 FXDDHMWBSKSONQ-JOCHJYFZSA-N 476.026 6.997 30 20 JKED Cc1ccccc1[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 608796909 KCENDOAXOLVWMU-YKSBVNFPSA-N 457.961 5.259 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 608918443 WOEKUTDVHBZTRR-UHFFFAOYSA-N 459.512 5.245 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC 609006221 FMPZCINXXXUMAG-HXUWFJFHSA-N 486.446 5.518 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)cc2)c1 609064672 KULSHZZQJHTUGD-UHFFFAOYSA-N 453.542 5.196 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 609435157 TYUWNICPVFMQAO-IBGZPJMESA-N 477.659 5.554 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1F 613390816 YHTVHKVFYPRAHX-ROUUACIJSA-N 460.578 5.781 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 642041205 CTABXNFZBSYNPE-UHFFFAOYSA-N 468.479 5.001 30 20 JKED CC(=O)N(c1nc(C=NN=C2c3ccccc3-c3ccccc32)cs1)c1ccc(F)cc1F 725798215 RQISYJLRSMVYHK-UHFFFAOYSA-N 458.493 5.958 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1oc2ccccc2c1CSc1ncccn1 726319939 QIPITBYBXZNILY-KRWDZBQOSA-N 462.918 5.130 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3ccco3)C2=O)cc1 726407261 QHHCSLOKPQLWIE-OAQYLSRUSA-N 478.961 5.274 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C#N)c(Cl)c1 726408743 HUYMNFWJNXQARS-LJQANCHMSA-N 475.401 5.544 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414654 DAXRYBCQNQUDIS-QFIPXVFZSA-N 451.592 5.237 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC(C)C)cc1 726416186 SEHHWVIFNXUACX-WMZHIEFXSA-N 483.634 5.025 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 726696835 WIXKVOHFBSDFOW-RDGATRHJSA-N 481.531 5.943 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCc2cnn(C)c2)cc1 726736165 VNIPGKMQWKJTSV-XMMPIXPASA-N 489.645 5.137 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)cc1 727306003 ZUDLZQIQVYRDEV-OIIADRAWSA-N 463.581 5.754 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 728062910 QUNZGAUPRQEDDX-QGZVFWFLSA-N 453.464 5.904 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728668110 LYAXAEQKANSROL-FQEVSTJZSA-N 480.524 5.337 30 20 JKED Fc1nc(F)c(F)c(NN=C2CCCc3nc(-c4ccccc4Br)sc32)c1F 730431544 RLNUVUVBUFIEFE-UHFFFAOYSA-N 471.277 5.677 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1Cl 730493962 OJRLLZWVAMCKNB-QGZVFWFLSA-N 499.992 5.261 30 20 JKED N#C[C@@H](C(=O)CCc1cc(Br)cs1)c1nc(-c2ccc(Cl)cc2)cs1 730688384 VUUTXQJIISZTRV-HNNXBMFYSA-N 451.798 6.097 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3cocn3)C2=O)cc1Cl 730727979 YIGHKMACZYGVRX-QFIPXVFZSA-N 495.004 5.286 30 20 JKED CC(C)c1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c12 731069240 FASHZBAYSPVJKU-OAHLLOKOSA-N 478.574 5.413 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 731077355 INZWCVNSXDRHHA-XOKHGSTOSA-N 463.386 5.531 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1)c1cccs1 731312694 QVDJRRBTJZYEAQ-TZTREGAWSA-N 465.600 5.044 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(Cc2cccc(C)n2)C1=O 743524527 KJWLRUNRAUAWFN-QHCPKHFHSA-N 492.576 5.007 30 20 JKED C=CCOc1ccccc1CN(C(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(C)c(C)c1 744075742 HQFJTKHUPQXISW-UHFFFAOYSA-N 463.599 5.260 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2s1 744936590 TVSHEKUUSRULDJ-ZDUSSCGKSA-N 480.587 5.480 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2F)cc1 745584668 QDRQPYDRSQAFCB-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(CCc3nccs3)C2=O)cc1 747599243 IOEWVUVRNVPZPP-NRFANRHFSA-N 478.643 5.271 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cscn2)cc1 747600328 POTMNYNPKGXGJA-LJQANCHMSA-N 471.007 5.265 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1F 747602655 LSIDIVGYQLOXBP-NRFANRHFSA-N 498.580 5.071 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1nccs1 747603798 YBXRLYZGGGUZKH-IBGZPJMESA-N 485.034 5.308 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 747803614 KJOVRPRVRDNIOB-QPPBQGQZSA-N 464.635 5.333 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CSCc1ccc(Br)cc1F 748003890 LJMGFWAGNKEYGQ-AWEZNQCLSA-N 499.789 5.139 30 20 JKED C#Cc1cccc(N(CC(=O)NC)C(=O)c2oc3ccccc3c2CSCc2ccccc2)c1 749509763 ZZWJHGNRBCFJOW-UHFFFAOYSA-N 468.578 5.240 30 20 JKED COc1cc(C=Nn2cnc3ccc(Br)cc3c2=O)ccc1OCc1ccc(Cl)cc1 767314447 OLVBXHBKGJKWAJ-UHFFFAOYSA-N 498.764 5.282 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CC(F)(F)F)C1=O 799218639 IINXIJMXFGKAPA-SFHVURJKSA-N 499.942 5.651 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CC(F)(F)F)C2=O)c1 799218901 KXUOOEHKEFCENG-KRWDZBQOSA-N 469.916 5.479 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc3n(C(C)C)c4ccccc4n23)ccc1Cl 801981031 OBFWCSQDPOGDIG-UHFFFAOYSA-N 466.998 5.266 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C 823620138 WVYYFAKJMIYUEB-UHFFFAOYSA-N 459.575 5.217 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837915395 SCWCBNNWBRKOHN-FDDCHVKYSA-N 458.587 5.366 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)cc1 838082506 DGTGBVYPXGMHFE-YADARESESA-N 488.613 5.429 30 20 JKED N#Cc1ccc(Br)c(CNc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 864025735 JEPMDNMTMOIOFR-UHFFFAOYSA-N 458.718 5.978 30 20 JKED N#CCCN(C(=O)COC(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1cccc(Cl)c1 912872559 GNLWNTCEPVZUKD-KTKRTIGZSA-N 454.313 5.045 30 20 JKED CC(C)CN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl)c1ccc(C#N)cc1 914510366 GMNCJWHRCKCRIT-UHFFFAOYSA-N 485.968 5.454 30 20 JKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc23)oc1=S 914783313 UFOZZUGFSPGHNT-UHFFFAOYSA-N 464.554 5.444 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2cccs2)no1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102891 KDGAQFXJMCUYIZ-IEEVTGIFSA-N 464.616 5.531 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102975 MFXVYDBRCPHTSL-XHBUVVKHSA-N 464.616 5.531 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915103707 CKFNWMUXOQVSGN-HNNXBMFYSA-N 457.278 5.403 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 915198410 HBLIITPDMAFQMR-UHFFFAOYSA-N 454.511 5.336 30 20 JKED C=CCN(C(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc(-c2ccccc2)cs1 915814487 SXXQNZOBZDXKAH-UHFFFAOYSA-N 451.939 5.291 30 20 JKED Cc1ncc(CO)c(/C=N\C[C@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)c1O 915980226 ZARJRONBHGLGHK-RNBGMOGSSA-N 476.429 5.175 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1ccc2ccccc2c1 916204290 BOWLICPKRLVMPT-VWLOTQADSA-N 480.593 5.438 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1Cl 916209831 RYMLFWSUSPKTIE-SFHVURJKSA-N 464.374 5.148 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)cc(C)c1 916210799 JHNVCEMJTUKUAE-LJQANCHMSA-N 463.525 5.693 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1c1ccccc1OC 916231733 XBPHOJPSWXJNCC-DEOSSOPVSA-N 489.597 5.486 30 20 JKED Sc1nnc(-c2ccccc2Br)n1N=Cc1c[nH]c2ccc(Br)cc12 916348973 IAVUYHFFJFFKLP-UHFFFAOYSA-N 477.185 5.122 30 20 JKED N#C[C@H](C(=O)CCCSc1ccc(Cl)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916652514 AZJXHYAAQDAIPW-MRXNPFEDSA-N 458.008 5.678 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 916679700 ZSXLWHHIAMPJAS-DEOSSOPVSA-N 471.557 5.435 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)N1CCCCC1 916708360 VUVKJCBNFIQPLC-SVBPBHIXSA-N 468.601 5.699 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc(O)c2c3c(sc2n1)CCCC3 916847136 MJYPUZYOKCHBCJ-CCCPALQASA-N 492.025 6.547 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 916885050 LLVARKRREDDJRC-MRXNPFEDSA-N 472.353 5.577 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)c1 916893981 IRPZEGQNWYEVTL-IBGZPJMESA-N 478.961 5.078 30 20 JKED N#C[C@H](C(=O)COc1ccc(N2CCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997260 UMTVZDHHGXHFJK-GOSISDBHSA-N 486.380 5.499 30 20 JKED N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997818 YJNQVIIBAMBWQC-SFHVURJKSA-N 454.382 6.797 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cs1 917536301 OOSFDGRDFQFARN-UHFFFAOYSA-N 495.605 5.198 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C)s2)c1 917666852 PHLAIRVEWUUARE-JOCHJYFZSA-N 495.626 5.234 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c1 917668601 CXZDVCOKMFCOGQ-VDKIKQQVSA-N 490.673 5.199 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2)n1 917678884 RKFJATBNCHSKLG-OAQYLSRUSA-N 464.978 5.204 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2ccccn2)C1=O)Nc1ccccc1 917700251 JQMPKMOTBNJSRS-VWLOTQADSA-N 480.593 5.438 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1Cl 917722280 HRTMGJZWCXVJBN-IBGZPJMESA-N 493.894 5.297 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2OC)c1 920008703 JEJJEHOYGXQIDS-UHFFFAOYSA-N 491.396 5.636 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 920102072 OTCXDINWKNFMLS-KRWDZBQOSA-N 472.957 6.044 30 20 JKED N#C[C@@H](C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1nc(-c2c(F)cccc2F)cs1 920806699 OEBYPESPUUIINI-INIZCTEOSA-N 484.505 5.145 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCSCc1ccc(C)cc1)C2 1779512938 NDCVHGREXJTEOZ-UFHPHHKVSA-N 486.722 5.125 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CCC1 1785786853 AGOWMWWAZNIWAS-UHFFFAOYSA-N 462.377 5.119 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4CCCN(C(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785807503 FUQBEIUOUNHVBC-OAQYLSRUSA-N 495.664 5.514 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5cccnc45)CCC3)cc2)cc1 1785881470 AUXRZDNUTDBRPZ-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Br)c3F)CCC2)cc1 1786679511 OIYKZNYAOQYXDL-UHFFFAOYSA-N 477.399 5.255 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C)cc2)CCC1 1787341161 MESLSZHLRFQNSX-QFIPXVFZSA-N 481.593 5.114 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(F)c3)CCC2)cc1 1788649742 ZGWAYOHAJXBVDH-ZHACJKMWSA-N 480.536 5.142 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cn(C)cc3C(F)(F)F)cc2)CCC1 1788826943 ZVBGQHJLUAYSTN-UHFFFAOYSA-N 455.427 5.003 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3N(C(=O)OC(C)(C)C)C4)cc2)CCC1 1790419727 VFRPMWZQIBKALD-DVJXIFHOSA-N 495.664 5.368 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cc2c[nH]nc12 1790861669 ZTUBVZJYQKXYPO-MDZDMXLPSA-N 484.581 5.120 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)[nH]c2ccc(Br)cc12 1791008602 MNBZFZTWZZDXMY-AWEZNQCLSA-N 486.435 5.305 30 20 JKED COC(=O)[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)CC1 1792123383 XMURFWXKUITDHQ-NJDAHSKKSA-N 487.600 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792386162 IXLJJXLGXBVAIB-DEOSSOPVSA-N 495.664 5.536 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1Cl 1797876882 SOWBWGHHEGZTFS-MCAKUDAQSA-N 454.014 5.070 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C#N)CCC1)c1ccc(OCc2ccccc2)cc1 1804117202 SSZHWLQIXUFMEP-IYOUEGCASA-N 499.655 5.337 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1804173759 APTUDYDYHLJMPT-SBUREZEXSA-N 486.062 5.189 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3nc4ccc(Cl)cn4c3C)CC2)C1 1804866600 JXSMLZNYFRTMAC-UHFFFAOYSA-N 471.045 5.133 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(F)c(F)c3)CC2)[C@@H]1c1cccnc1 1807334201 QUWZIYMGUHKGOP-RDPSFJRHSA-N 481.587 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1809196392 OUQMKMUVQGQUKM-PIBDYAPNSA-N 477.008 5.304 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc4c(Cl)cccc4s3)[C@@H]2c2cccnc2)C1 1809443228 YWZORQMKUAGVNB-HXOBKFHXSA-N 466.006 5.236 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1810172660 CMPCIJLSSQOYIE-DKRHUIDYSA-N 480.612 5.232 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccccc4)c(F)c3)[C@H]2c2cccnc2)C1 1811438531 NFUCRYVLIKQYKP-YIXXDRMTSA-N 469.560 5.174 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c(Cl)c1 1811748774 BADYAHQWSDRMOK-HUZGLQGISA-N 477.008 5.063 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)[C@H]2c2cccnc2)c1 1811938943 BRPKHVAXEYWVCI-SQHAQQRYSA-N 496.611 5.072 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2Br)[C@H]1c1cccnc1 1813979946 GJARXSRRHXNMSE-HZUJVAHNSA-N 490.829 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1813991066 PCOOFORRMWNOHE-JYFHCDHNSA-N 493.623 5.322 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)[nH]n1 1814441839 GSKFCQVVVLPBIO-YKSBVNFPSA-N 477.653 5.459 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)[nH]n1 1814445570 QIXZVMBUKVSGGF-TWLJRWAQSA-N 450.583 5.116 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1)c1ccc(O)cc1 1815985148 VGUHKBNGIGCEOF-MEPGCTBYSA-N 488.613 5.080 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)[nH]n1 1818114385 WWSWCYKEHHIMCC-GFOMBABLSA-N 486.956 5.009 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818117588 YWTNWYFKTJTSIU-CBXIQKPASA-N 476.602 5.096 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cc[nH]c34)n[nH]2)c1 1818773321 MSRKQGVJBVAGPE-GAJHUEQPSA-N 466.545 5.138 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(C)C)cc3)[nH]n2)c1 1820209694 KYRPQXWPTFUUFY-XMMPIXPASA-N 471.561 5.033 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)[nH]n2)cc1 1820548464 FPFXOMSHUNAGCJ-NRFANRHFSA-N 472.936 5.036 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Br)c2F)n[nH]1 1821057376 XSLFYGMZHUYGTP-HNAYVOBHSA-N 489.389 5.386 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2)n[nH]1 1821131006 MVTBJYMEONZESG-ICSRJNTNSA-N 458.509 5.085 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4[nH]c5ccoc5c4-c4ccccc4)sc3C2)C1 1821171299 HLGCLQFGHYSVPW-QGZVFWFLSA-N 472.570 5.076 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)cc(OC)cc2C)n[nH]1 1821252044 DUFHREAORPJJOC-IFMALSPDSA-N 450.583 5.109 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)c1 1821325607 YVVZCFWZDLWAMP-OAQYLSRUSA-N 481.478 5.228 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc4cccc(Cl)c4c3)n[nH]2)c1 1821570028 WZHJLPFLGRJIEQ-XMMPIXPASA-N 498.974 5.411 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1822582001 WMVATJNCONAQGI-OAHLLOKOSA-N 453.395 5.278 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3F)n[nH]2)c(Cl)c1 1822968163 ZSMLTCYOSVHJOZ-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(-c5ccccc5)ccn4n3)CC2)C1 1827385430 JQTHJYAJMKVYPU-MUUNZHRXSA-N 482.628 5.201 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)c1 1827793446 ODEUFAVYRBSFSI-MUUNZHRXSA-N 492.623 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(Br)nc2C)CC1 1827972659 PITDGHUHRWVACI-SFHVURJKSA-N 496.515 5.440 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc12 1828581698 QLGXYQCOALPNEJ-KMRXNPHXSA-N 482.628 5.651 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828828088 CWEAVELTUBWEBO-SZWZIBTBSA-N 489.660 5.578 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccccc3F)CC2)CC1 1828829976 OOYNUIVYQWQGOJ-RCZVLFRGSA-N 452.614 5.245 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879320 HXABUEFOZLIDLM-JPARSPOBSA-N 471.667 5.021 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829565418 VDZYZCIXSDDSMO-VWLOTQADSA-N 468.601 5.143 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976033 SXCMENBJUJJMLL-KKSFZXQISA-N 468.425 5.028 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)CC1)c1ccc(O)cc1 1830098014 BCXJYRPGNSTZFK-CUNXSJBXSA-N 494.582 5.101 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1830155279 WUMNIUUPXKVTKU-VWLOTQADSA-N 483.056 5.147 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c(F)c1 1830470774 QNZOYBXIJJCXNN-DEOSSOPVSA-N 467.972 5.206 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)cc1Cl 1830471604 KHRRABJLUGYXDM-QFIPXVFZSA-N 472.029 5.054 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 1830492969 CVGLJKJHDLGDIN-VWLOTQADSA-N 457.574 5.016 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1F 1830570717 YAAAVHXFWBKHLL-IBVKSMDESA-N 461.581 5.308 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 1830715039 LSSNDAWLPYXQGY-QHCPKHFHSA-N 471.935 5.037 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3C=CS[C@H]32)CC1 1831164102 QPUBOCUSFRMWMI-VJLHXPKFSA-N 496.676 5.195 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831716887 KELDEPWTGSWCBP-IMNFJDCFSA-N 487.482 5.385 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705936 JCNOKQXDUHMLOE-GOSISDBHSA-N 482.440 5.420 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)CC1 1836696039 COKNXACPKMHYQP-UHFFFAOYSA-N 492.582 5.015 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CC2(CCCN2C(=O)C2CCC(C(F)(F)F)CC2)C1 1841799749 ZLHULNMXHQYLMF-UHFFFAOYSA-N 480.424 5.030 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)C2)c1Cl 1843459400 ZRXSFOTXDDIICO-UHFFFAOYSA-N 480.351 5.256 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)C2)c1 1845883877 GTTJGSNCVGTURZ-RBUKOAKNSA-N 483.534 5.039 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CC2(CCCN2C(=O)c2cc(F)ccc2C(F)(F)F)C1 1846886646 LOYKSFFLEVRONR-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C 1847264480 AFLVXDLDYZIEMW-GOTSBHOMSA-N 491.717 5.436 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 8641565 BCRPABFVVKYVSK-WAIKUNEKSA-N 453.999 5.123 30 20 JKED Cc1c(Cl)cccc1-n1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccncc1 10318195 ONXZJIZKBXMOBM-KRWDZBQOSA-N 481.025 5.114 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccccc1Cl 10826102 NYOYJFOQXLFQEC-UHFFFAOYSA-O 455.003 5.388 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158950 TXCPLSAOMLCYIS-UHFFFAOYSA-O 481.375 5.676 30 20 JKED C=CCn1c(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)nnc1-c1ccoc1C 21177303 OLYXACSJPSHPTC-TZMCWYRMSA-N 467.620 5.309 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)nnc1C1CC1 22150164 WNESIPAZVWZLIC-UHFFFAOYSA-N 455.996 5.252 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)NCCc2ccccc2)cc1 22735590 VNDFLQRVCHIDLZ-UHFFFAOYSA-O 462.683 5.604 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1ccco1 29991163 YXQSYCNLABIBOF-QFIPXVFZSA-N 464.978 5.375 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccnc3SCc3c(C)noc3C)c2)c1 30990169 REBIZYDLLCBZST-UHFFFAOYSA-N 497.576 5.417 30 20 JKED N#Cc1ccc(-n2c(SCc3nc4ccccc4n3C(F)F)nc3ccccc3c2=O)cc1 31789744 QKTTZJPFEVROAA-UHFFFAOYSA-N 459.481 5.294 30 20 JKED Cc1oc2nc(S[C@H](C)C(=O)Nc3ccccc3C#N)nc(NC(=O)c3ccccc3)c2c1C 39559288 YOGCZPTZTNULJH-MRXNPFEDSA-N 471.542 5.083 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1 59253927 FPVLZTXFUHYCJO-UHFFFAOYSA-N 458.411 5.914 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)cs1)c1ccc(F)cc1F 59270039 RMFZMOCNPDVOLZ-VQHVLOKHSA-N 461.559 6.064 30 20 JKED COc1cccc(/C=C\c2nc(C)c(C(=O)/C=C/c3cccc(OC)c3OC)s2)c1OC 96316148 HSMISUICERBSGM-GQJHWZHGSA-N 451.544 5.552 30 20 JKED C=CCn1c(SCc2cc(Br)ccc2F)nnc1[C@@H]1COc2ccccc2O1 116009889 KLIVBJKJAHGCBB-SFHVURJKSA-N 462.344 5.171 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CC1 116928151 XFVRRQFBUXKEBZ-FQEVSTJZSA-N 450.926 5.040 30 20 JKED COc1ccc([C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)N2CCCC2)cc1 255941419 RIAYIRYCNHTHFI-XMMPIXPASA-N 457.599 5.285 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1cccnc1 302767690 PVBSWDBBJNRAJO-LBPRGKRZSA-N 467.904 5.318 30 20 JKED CCN(C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[C@H](C)c1ccc(C#N)cc1 302949952 BVYDJLPVECDOEP-SJORKVTESA-N 453.995 6.098 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1)c1ccccc1 303367445 ROISEKOBLOIEIE-UHFFFAOYSA-N 455.493 5.035 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)O[C@@H](C)C2 409813413 DRAJLHJFNOKDEI-YDOVEJIGSA-N 484.571 5.752 30 20 JKED CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 476489573 NFYUPHKFJNQXOB-UHFFFAOYSA-N 471.557 5.202 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 485345754 KWYCRHJKRNXQKM-MRXNPFEDSA-N 467.447 5.527 30 20 JKED CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 498000473 AASDZUUMORCCHV-GOSISDBHSA-N 454.958 5.164 30 20 JKED CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 498285634 DZTJEVRYKFPXDA-UHFFFAOYSA-N 464.543 5.207 30 20 JKED CCCc1nc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)nn1-c1ccccc1Cl 499311731 JDJCMSZOGBYRFR-UHFFFAOYSA-N 496.021 5.141 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2c(F)cccc2F)nnc1-c1ccc(Cl)cc1 499409565 UXMSBYKOPWEIPY-CQSZACIVSA-N 462.953 5.374 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccc(-c2ccc(F)cc2)s1)C(C)C 500961541 VTERAZKZWZRVGZ-UHFFFAOYSA-N 452.599 5.651 30 20 JKED CSCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nnc2ccccn12 510541043 YCEIVMCHTDGUQB-JOCHJYFZSA-N 472.574 5.318 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NCCSCc1ccccc1C#N 512501012 CBNNIRUIFNAIMX-INIZCTEOSA-N 454.596 5.423 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513191100 DMWVFPIWPAGZMO-IBGZPJMESA-N 462.431 5.452 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2ccco2)C(C)C)nc2scc(-c3cccs3)c2c1=O 514525878 DZDPZPSPZRWMFG-IBGZPJMESA-N 485.656 5.399 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1 516322917 HSRJKSRTESELCM-AJTFRIOCSA-N 485.609 5.187 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 516746894 SSQCCMKFADAATF-SANMLTNESA-N 465.484 5.334 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](COc3ccccc3)c3ccccc3)c2)c1 517423426 XAUCARTWHIQQPT-NDEPHWFRSA-N 491.547 5.012 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1 518252716 BAMOJDSFXIRWRO-UHFFFAOYSA-N 495.366 5.647 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 518253004 OBRZSHNNPAFYGD-YCRPNKLZSA-N 453.564 5.126 30 20 JKED CC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 518755007 DHRWMHPATFQOPK-UHFFFAOYSA-N 472.570 5.136 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 519926893 YRYYDCRBLIEGPT-UHFFFAOYSA-N 458.537 5.317 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 520199642 CWMJWIREDADOSI-IBGZPJMESA-N 485.609 5.328 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)cc1Cl 520432273 WNKSAXSIXAELST-GOSISDBHSA-N 495.391 5.513 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)c1C 520914588 RNWDIKVOMOXYNG-UHFFFAOYSA-N 494.551 5.511 30 20 JKED COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 521113226 OXJQBAPAICELJU-UHFFFAOYSA-N 457.555 5.206 30 20 JKED N#C[C@H](NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1ccc(OCc2ccccc2)cc1 521500166 ASBCVCRAUDRTJS-ONJSCSTBSA-N 473.617 5.202 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1cccc(Cl)c1 521719048 CXNOVRPEVORYPK-HNNXBMFYSA-N 472.039 5.601 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 553300598 SWQAWEXIWPJJFE-GOSISDBHSA-N 492.670 5.884 30 20 JKED CC(C)c1ccccc1-n1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1cccnc1 589939875 LPFBPRHFDKXVKE-UHFFFAOYSA-N 468.586 5.445 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)c1C 590841193 SUUZLOXPAJRKGL-UHFFFAOYSA-N 488.657 5.297 30 20 JKED Cn1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccccc2Cl)n1 595869218 FUSBSTNPJZZZES-ZDUSSCGKSA-N 460.868 5.859 30 20 JKED N#Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)ccc1OCC(F)(F)F 603709242 SGJLFYLIGNAJIS-QHCPKHFHSA-N 493.441 5.090 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 603756213 HZHAFZKKYJOXCX-UHFFFAOYSA-N 482.634 5.977 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)cc1 603774513 YCGAMWLRRSAPIP-UHFFFAOYSA-N 496.954 5.368 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc(-c3ccc4c(c3)OCCO4)nc21 603872857 YKFXDAJVQSEDIU-UHFFFAOYSA-N 481.556 5.504 30 20 JKED N#Cc1ccc(NC(=O)CNc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1 604007827 KFTHTVRONAVYNP-UHFFFAOYSA-N 456.399 5.019 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cn2)cc1 604428918 QSZANVDIVJZBGJ-NRFANRHFSA-N 479.334 5.113 30 20 JKED CSc1cccc(N2C[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2=O)c1 609061858 JBPXRMUTUFTTOM-OAQYLSRUSA-N 471.582 5.159 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)cc2F)c1 609104624 JFMRTHPGFNQIFA-UHFFFAOYSA-N 490.922 5.941 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 609376525 BRISNEMNQYPICF-CQSZACIVSA-N 482.407 5.411 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 609382841 UJSZCLHPODNKTO-OAHLLOKOSA-N 498.402 5.727 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 609402687 JXRNJUJMHFQXAV-FQEVSTJZSA-N 472.408 5.051 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 609436204 JDOQDSNNMBMDPU-HXUWFJFHSA-N 457.599 5.358 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 613404456 ROLQLVXQEHTHRC-MRXNPFEDSA-N 484.304 5.487 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 642281636 NQCGICCIDKKIIR-JOCHJYFZSA-N 473.579 5.125 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)nnc1-c1ccccc1F 645077127 ALPXLBFPFDWWIM-KBPBESRZSA-N 481.622 5.959 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 684255254 PXGJPLMZHOXCPY-XMMPIXPASA-N 479.625 5.104 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C#N)c(Cl)c1 726408169 XQWRKTSBSBYOJV-LJQANCHMSA-N 476.936 5.106 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2c(F)cccc2Cl)cc1 726413155 VZPWAVVKAWMOHJ-NRFANRHFSA-N 490.000 5.067 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 726427906 AQLZJEZHAPHUKZ-RVDMUPIBSA-N 467.525 5.411 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(C)s2)cc1 726570081 QWNUYTPHWSNCQU-UHFFFAOYSA-O 466.652 5.754 30 20 JKED CCCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(-c3ccccc3)cc2)cc1 726572532 ZRSIOJXZEAXWIS-UHFFFAOYSA-O 494.640 6.100 30 20 JKED COc1ccc(/C=C\C(=O)c2sc(/C=C\c3ccc(OC)c(OC)c3)nc2C)cc1OC 726848384 PLAIDPNAOUANOQ-FPXZMEGYSA-N 451.544 5.552 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cnn(C)c1C(F)F 727298775 AVQVWZPTLAUYGG-SFHVURJKSA-N 471.489 5.192 30 20 JKED N#C[C@@H](C(=O)CCCCc1ccc(I)cc1)C(=O)Nc1ccccc1Cl 727953921 RACMSPGIDBXGRZ-INIZCTEOSA-N 480.733 5.005 30 20 JKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(N2CCCC2)cc1 728668578 YWMTZTSYYMZHRV-LJQANCHMSA-N 455.514 5.135 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCCCC#N)C1=O 728778573 SSCDUNWTLUCVBN-HXUWFJFHSA-N 472.973 5.442 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 729889591 QQCVVKACQMDNSV-DEOSSOPVSA-N 453.542 5.049 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCc3c(C)noc3C)C2=O)cc1Cl 730443759 GLYRTVZSWOHYDH-JOCHJYFZSA-N 497.020 5.456 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 730692106 SSUNLUCVEVUFSR-YWZLYKJASA-N 475.353 5.623 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCOCC2CC2)C1=O)Nc1cccc(Cl)c1Cl 730943298 BSHOAOCPACWSBE-LJQANCHMSA-N 492.428 5.380 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731107588 GXRHQVXHOKKSPQ-HHHXNRCGSA-N 473.548 5.562 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 731129651 ZIJQRRODOAXJOJ-DNVCBOLYSA-N 461.509 5.259 30 20 JKED CC(=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O)c1cccc(N2CCOC2=O)c1 745588496 OGCULIJGVAOIAG-UHFFFAOYSA-N 478.961 5.316 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccn2)c(Cl)c1 745989073 JFOLPQQCTGQCES-OAQYLSRUSA-N 496.995 5.651 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1Cl 787820658 TVZDPHIDVPJMQE-SANMLTNESA-N 496.032 5.404 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(F)(F)F)cc1 799215406 NAMRUAIOPLCNHB-GOSISDBHSA-N 467.488 5.472 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3n(C(C)C)c4ccccc4n23)n(C2CCCC2)c1C 822221677 AHXQYCJMYHHBDK-UHFFFAOYSA-N 475.622 5.401 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H](C)c3cccnc3)C2=O)cc1 837301468 KZZKLACWTDLUPF-DVECYGJZSA-N 488.613 5.510 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 837428286 WNHRPMBXXXUIOF-WZONZLPQSA-N 476.577 5.559 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)c(Cl)c1 914539535 DUUBJGBXMXGYME-YJYMSZOUSA-N 480.417 5.208 30 20 JKED Cc1nc(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2c(C)c(C)sc2n1 915086041 QYWBBJVBAIGCMU-OAQYLSRUSA-N 458.612 6.003 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 915105295 ZQGMIECJEMTSOP-INIZCTEOSA-N 486.475 5.573 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(F)F 915353841 QSAHGOWKAHXVSN-QFIPXVFZSA-N 465.500 6.006 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 915592506 NMBGRZFERYYVCO-CYBMUJFWSA-N 497.573 5.054 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(CC(=O)O)cc2)c1 915988324 ULLXZFHKQQMSNB-OWBHPGMISA-N 468.509 5.080 30 20 JKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCOCC2)c(F)c1 916128427 CNVBXEGBTWPXHL-WTKPLQERSA-N 499.369 6.118 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccn2)C1=O 916212904 UCFKJSSCVGPTPU-OAQYLSRUSA-N 499.423 5.857 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCCC1 916215508 HJICMCGEVDYMSF-HXUWFJFHSA-N 475.536 5.917 30 20 JKED CCOc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cc(Br)c1OC 916272599 DJHJVSSYXOYJPB-UHFFFAOYSA-N 490.423 5.087 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 916950892 VJUMNDYSBQJIJV-JOCHJYFZSA-N 450.947 5.602 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 916975288 XCNXSGFVAFJYFY-DYESRHJHSA-N 484.408 5.906 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc(-c2ccccc2)cs1 917026344 FNEVTUWEMIWVRP-ISKFKSNPSA-N 450.519 5.754 30 20 JKED CC(C)n1ncc2cc(/C=C\C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)[nH]c21 917029935 CSEZSOAYVQBPRW-ZEHHBLEJSA-N 487.629 5.119 30 20 JKED C=CCn1c(SCC(=O)OCc2nc3ccccc3o2)nnc1-c1ccc(Cl)cc1Cl 917230243 CDEMAZKHIOCFLT-UHFFFAOYSA-N 475.357 5.415 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2C[C@@H]2CCCO2)c1 917710083 QTMPSCYPEQGKAP-BJKOFHAPSA-N 494.661 5.015 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(C(C)C)c1 917712509 GOJYFTBEZGHHTE-HXUWFJFHSA-N 484.419 5.166 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)c2nc(C3CC3)no2)nnc1-c1ccc(Cl)cc1Cl 918799117 MERFXUMPYTUSOQ-NSHDSACASA-N 480.377 5.095 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 919297309 OJEBERJZFCOXES-UHFFFAOYSA-N 463.264 5.423 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)COc2cccc(C#N)c2)cs1 919415919 NLFCTRMXJZNQQO-UHFFFAOYSA-N 476.341 5.128 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3c(Br)cccc3C2=O)cs1 920066655 IKIVLXZZZLRPBM-LCYFTJDESA-N 473.323 5.388 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCSc1ncnc2sc(C)c(C)c12 920109658 TVUOIUGBGOTITP-CQSZACIVSA-N 489.022 5.108 30 20 JKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)o2)c1 920893342 CCQORLFQEWAEOW-LJQANCHMSA-N 455.518 5.357 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1C 920894895 YTIIDFOKCRDFDD-UHFFFAOYSA-N 486.494 5.101 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(N2CCCC2=O)cc1 920978316 VKVZMMMIWZULEI-HXUWFJFHSA-N 468.557 5.341 30 20 JKED COc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1787756608 AWQPOMMZOBCHJS-HXUWFJFHSA-N 467.569 5.313 30 20 JKED CC(C)N[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1)C(C)C 1788126816 KAITXPKEJBKWJK-CJFMBICVSA-N 460.622 5.084 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CCC1 1788243207 YYIHXKZTAJRIFD-UHFFFAOYSA-N 459.590 5.217 30 20 JKED Cc1nc2ccccn2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1788927538 WNYPHVINSSTDMQ-UHFFFAOYSA-N 483.959 5.229 30 20 JKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)c2s1 1788945045 NTBNNCGXPKUVGX-UHFFFAOYSA-N 466.566 5.538 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)CCC1 1789687139 ZYAOSNDILQGOMX-QGZVFWFLSA-N 496.858 5.200 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccs5)on4)cc3)CCC2)cc1 1789776006 JFYFETPKDLALCT-UHFFFAOYSA-N 468.538 5.336 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)n[nH]1 1790131599 RPZNUBJWBWRJRG-GOSISDBHSA-N 455.562 5.222 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC1 1790292212 PDXYSZFKSSURAU-JOCHJYFZSA-N 481.568 5.043 30 20 JKED CO[C@@](C)(C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1cccc2ccccc12 1790376481 XNTBIRBSFWYZAJ-HHHXNRCGSA-N 455.558 5.139 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4occc4Br)CCC3)cc2)ccc1F 1790520721 JICBYUHTJXFNQF-UHFFFAOYSA-N 496.336 5.043 30 20 JKED CC(C)(C)OC(=O)CCCCCCC(=O)Nc1ccc(C2(NC(=O)C3(C#N)CC3)CCC2)cc1 1790561967 RHMJWFNNEMQDNT-UHFFFAOYSA-N 467.610 5.107 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cn1 1790764271 RWYWEEPCKFZTMC-UHFFFAOYSA-N 472.976 5.296 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4cccc(Br)c4n3)cc2)CCC1 1790860532 BAYPJKBHKVNTJE-UHFFFAOYSA-N 476.374 5.158 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)CCC2)cc1 1791573801 ULFOLYFZHWGWDU-AWEZNQCLSA-N 488.535 5.162 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCCn4cccc4)cc3)CCC2)c1 1791903406 GJDMBYKXVORYFJ-OAQYLSRUSA-N 454.574 5.343 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5occc45)CCC3)cc2)c1 1792123646 NYUBQEAUWOXYIZ-GOSISDBHSA-N 464.525 5.516 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1792236783 VOYJPRSRLXLSOB-UHFFFAOYSA-N 498.970 5.520 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(F)(F)F)nc3ccccc13)C2 1798592329 IEOZCUAEYNLRKR-BCDXTJNWSA-N 473.539 5.498 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)[C@H]2c2cccnc2)C1 1802412343 KREJNSSBLBGXAT-YWEHKCAJSA-N 465.597 5.343 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1803091440 GGZTZAASCIINNB-WZONZLPQSA-N 473.951 5.101 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CCCc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1803491475 CNYSTIXFINDZGE-KCWPFWIISA-N 499.577 5.323 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803999409 KNPFAAFRZHTRCF-IEFMPQHVSA-N 493.476 5.031 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1805680377 ZYYVQGZYRGSJDK-RDGATRHJSA-N 463.622 5.369 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@@H]1c1cccnc1 1806451235 DGNCCMXYGNYLNX-MZRLSVQCSA-N 459.634 5.111 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)C2)CC1 1807427923 NIHDFTYNETWEAS-RUZDIDTESA-N 459.634 5.603 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)c1 1807474803 AOEZPJFMDIMHAX-DGPALRBDSA-N 494.639 5.248 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1809473032 MBAZYPPCSTVYSZ-SDUSCBPUSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1810183394 VDHUDSCVSXZLKB-ROKPMTFOSA-N 475.614 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1810500575 SVLRRVWLXUNTPZ-BVAGGSTKSA-N 455.602 5.547 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)CCC#N)[C@@H]2c2cccnc2)cc(C(C)(C)C)c1 1811412366 JSKRAEDEQZOLJB-HFZDXXHNSA-N 474.649 5.300 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1 1811890144 UUKULLZATBAGFH-GBXCKJPGSA-N 493.394 5.202 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@H]2c2cccnc2)c1 1813956048 NZDSUFGNWNIPLY-FQLXRVMXSA-N 486.575 5.254 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)[nH]n1 1814442950 CNUBWCZDKCOQRJ-JOCHJYFZSA-N 463.582 5.198 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)c1F 1814587323 LENCKUYYJOJFNJ-QFIPXVFZSA-N 489.551 5.136 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)[nH]n1 1814829296 DIQXPPATEWOEGL-RUZDIDTESA-N 469.589 5.546 30 20 JKED O=C(C[C@@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1815607720 HJGYVNLCEXZRPJ-BDYUSTAISA-N 496.611 5.075 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820079239 BMKGCSONDJBDDA-CPJSRVTESA-N 497.599 5.226 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccnc4ccccc34)[nH]n2)c1Cl 1820218881 GFNJEQFZKZMHIM-JOCHJYFZSA-N 484.947 5.103 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)CC1 1821272389 FUPNOPOXWVGKDG-YDHSSHFGSA-N 465.573 5.189 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc(Br)c3)CCCC2)n[nH]1 1821870717 DEFLWUSVXYYUSP-OAQYLSRUSA-N 497.437 5.090 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 1821987385 SJNGLURZNXDJGB-INIZCTEOSA-N 457.308 5.234 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[nH]n1 1822392904 HWMRVEZXADBDDY-FQEVSTJZSA-N 491.419 5.613 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c(Cl)ccc(OC)c2F)n[nH]1 1822492962 LBPWYBBRYMAJOO-LJQANCHMSA-N 491.007 5.438 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)[nH]n2)c1 1823215298 PWGRNRPVFCPFPW-GAJHUEQPSA-N 466.545 5.138 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823303550 RYGDZTGQBOLFBU-AEFFLSMTSA-N 473.401 5.116 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1824140838 NNSJUABUOPZEBS-JOCHJYFZSA-N 475.077 5.293 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)CC1 1824144733 DSAUADZIZHWGEX-NSOVKSMOSA-N 479.709 5.458 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1 1824544623 QKLNWPNHPTXQKE-GYBSMXBJSA-N 499.540 5.098 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824836275 AEPWBPZKIMUPPL-LCCNJJIFSA-N 484.509 5.550 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2Cl)CC1 1824878686 QADXAOSOLUGXNV-LADGPHEKSA-N 461.021 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825765660 VJYCFUSCXDGMFB-JWQCQUIFSA-N 475.633 5.652 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c(C(F)(F)F)o1 1825961433 UIZJCJDGWHSEKA-NRFANRHFSA-N 491.485 5.165 30 20 JKED CC(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)no1 1826156259 UFELNWCEOSTGDD-HSZRJFAPSA-N 471.718 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sc(N)nc3c2)CC1 1826963436 VFPDPMZYHCUKTI-OAQYLSRUSA-N 468.667 5.104 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827334346 MYELFLVIVKLLDN-VWLOTQADSA-N 477.674 5.210 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1827683895 OSPDRMLIBARICH-YVSHKSEASA-N 484.706 5.713 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c(Cl)c1 1828132643 QOGAYZVRIRZACQ-QFIPXVFZSA-N 493.032 5.368 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(O)nc3ccccc23)CC1 1828137323 YEMZIRLAMVGFDW-XMMPIXPASA-N 463.622 5.166 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1828219601 JYGAGHWWKPZEQS-XMMPIXPASA-N 489.547 5.005 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1828338674 CQVCOQMJQSOXDA-HHHXNRCGSA-N 489.685 5.211 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)CC1 1828602048 OZDKCUVIFGEKLK-KBXCAEBGSA-N 495.508 5.215 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cnccc34)CC2)c1Cl 1828656196 WKOPFGNNZBDOSO-VWLOTQADSA-N 487.003 5.307 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1828904665 ZTZWMAIFCIIQJK-OAQYLSRUSA-N 472.668 5.390 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1)NC(=O)OC(C)(C)C 1830063877 GFJRTFPMUNQMHS-RPBOFIJWSA-N 497.680 5.088 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1 1830064204 KYAIGTPBHIYCJN-AREMUKBSSA-N 473.617 5.201 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1830110492 HWNGKNSMJAYVDF-VWLOTQADSA-N 494.035 5.086 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)cc2C)CC1)C(F)(F)F 1830503141 NURCQQSVUSIXJL-LJQANCHMSA-N 487.360 5.109 30 20 JKED Cc1ccc(OCCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830720958 PPDDNDIKTUWPCH-AREMUKBSSA-N 494.035 5.223 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)CC1 1830802146 HWWAEKQJYVCPHB-HSZRJFAPSA-N 483.653 5.460 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1830898820 DEFBPZPWEPAPSE-DEOSSOPVSA-N 450.623 5.041 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cc(C)ccn23)CC1)c1ccccc1 1831014041 ZVPQJTJFFWKFIU-SXOMAYOGSA-N 496.655 5.073 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3ccc(Br)cc23)CC1 1831376766 SJMCVTXIXWTEMQ-HOYKHHGWSA-N 498.465 5.443 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1831840129 BYYGRMHBLZXTSW-KBXCAEBGSA-N 451.057 5.106 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1)c1ccc(O)cc1 1831925812 LNQUJZKYNFCDQR-FYYLOGMGSA-N 483.008 5.069 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1832628879 FQHIADQQHSCGNL-PFVHZJSWSA-N 491.582 5.539 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc4c(O)cccc34)CC2)c1 1832633162 FMBWJMRHZBZMFJ-FNZWTVRRSA-N 496.611 5.115 30 20 JKED CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1)c1ccccc1 1832635176 WGZFNYUFRBIVPV-QLCOJLISSA-N 471.645 5.741 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1832829103 VRCYYQGAHFFZGM-QHCPKHFHSA-N 481.434 5.249 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1832896563 YYOOZQJSHFDFLF-YADARESESA-N 464.009 5.249 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)CC1 1836603581 RMVBOOXYKIDQAU-HXUWFJFHSA-N 473.057 5.211 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CCc3ccccc3Cl)CC2)CC1 1837750578 XXJISWMAEXGYBK-XMMPIXPASA-N 473.057 5.040 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1838799701 ILQNEAIDVCETLM-UHFFFAOYSA-N 472.629 5.159 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)NC(=O)c1ccccc1S3)C2 1841058820 ZRRKMSPKPYZYTC-UHFFFAOYSA-N 489.641 5.213 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)C2)c(Cl)c1 1844626961 GGDXUGSRARQYML-UHFFFAOYSA-N 494.982 5.262 30 20 JKED C=CCn1c(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)nnc1-c1ccccc1 9448431 FTGGPSLHRWKNCM-LSDHHAIUSA-N 463.632 5.407 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172737 LRBNVWNGKNWLKJ-UHFFFAOYSA-O 455.550 5.806 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccc(OC)cc1 10658778 HBPRCPFGGNSDMH-AWEZNQCLSA-N 452.609 5.197 30 20 JKED C[C@@H](OC(=O)c1ccccc1OCc1ccccc1Br)C(=O)Nc1ccccc1C#N 10824885 UEVWSDGNRMBICX-MRXNPFEDSA-N 479.330 5.084 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccc(F)cc1 10828558 LPHZLODUCNOALE-UHFFFAOYSA-O 458.376 5.489 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)n(C2CCCC2)c1C 12473395 MKPXUGVJUHTDGF-UHFFFAOYSA-N 469.661 5.799 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2CC)ccc1Cl 14428121 WFLGFAWBTWQSNL-UHFFFAOYSA-N 469.006 5.844 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17183286 AGEWJBNHQXIVRN-INIZCTEOSA-N 498.630 5.326 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(C4CC4)n3C3CC3)c2C#N)C1 17280349 NBSOFWFBQQBMHM-HNNXBMFYSA-N 469.680 5.695 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(O)c2)cc1 22695059 BZEAPQAUAUYFPR-UHFFFAOYSA-O 461.485 5.148 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1[C@H]1COc2ccccc2O1 23592215 VKRIOVBRPXGGJB-VGOFRKELSA-N 478.618 5.393 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 23998145 IIUSNMVQHLBRSE-HOTGVXAUSA-N 456.999 5.151 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccc(OC)cc1 23998262 VCUPKDYATNNIRI-IAGOWNOFSA-N 462.575 5.244 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1 45698597 WYENURJXHFYINQ-UHFFFAOYSA-N 466.632 5.967 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 71938867 YRWDKGZVMQMRGF-GOSISDBHSA-N 476.989 5.249 30 20 JKED C=CCn1c(SCC(=O)N(C)C2CC2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 72031235 TUJYLWYGVMSGJE-UHFFFAOYSA-N 469.614 5.368 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nnc1-c1cccc(C)c1 108376052 ANHCEYWAUVMAKL-UHFFFAOYSA-N 497.624 5.649 30 20 JKED C[C@@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 109354856 QHACKQQTZMIEND-MRXNPFEDSA-N 481.021 5.955 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c1 109567427 WGGPMHARXNPTTI-UHFFFAOYSA-N 483.549 5.190 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc12 195586300 VPPUEPIBIVABPQ-UHFFFAOYSA-N 468.504 5.531 30 20 JKED Cc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)sc2nc(C(F)(F)F)ccc12 195586336 INGZYJRQPWNMBY-UHFFFAOYSA-N 457.399 5.700 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1)c1ccccc1 303085747 GMEHQRIKOIONOY-MUUNZHRXSA-N 481.596 5.052 30 20 JKED C[C@@H](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 409610804 BXHVZWCPFXLWKO-JTQLQIEISA-N 457.367 5.054 30 20 JKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481739780 JMQQDQNFXKOYJR-UHFFFAOYSA-N 474.536 5.583 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3c(C)cc(C)cc3C)o2)cc1 483233108 BIWXMGOFPNHXLB-UHFFFAOYSA-N 450.564 5.100 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N(C)C)c2)nc2scc(-c3ccccc3)c2c1=O 497661407 RZRGZNAGHCNFHD-UHFFFAOYSA-N 461.612 5.305 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccccc1COCc1ccccc1 500847662 DOIUMDLVFFMCIE-UHFFFAOYSA-N 452.476 5.273 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2cccc(Br)c2)cc1C 501340488 JRCPZJUNIJTZPQ-UHFFFAOYSA-N 451.368 5.115 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)C[C@H](C)O1 501483038 VUODFGPPJWTIJY-VXKWHMMOSA-N 469.585 5.193 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nc2sc3c(c2c1=O)CCCC3 501540703 ZUXZDVIXZLMQCA-UHFFFAOYSA-N 480.659 5.013 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)c(OCC)c2)nnc1-c1ccc(Cl)cc1Cl 502045028 IVEUTOGBPISZGM-UHFFFAOYSA-N 493.416 5.576 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 502355583 QOOSHHMJNMXMHL-IERDGZPVSA-N 479.964 5.904 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1Cl 503151772 LLGUWJMFWHWQNQ-QGZVFWFLSA-N 498.320 6.419 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CSc2nc(C)cc(C)c2C#N)cs1 505877267 QXFCQYZUFZQGMS-UHFFFAOYSA-N 462.522 6.022 30 20 JKED C=CCn1c(SCC(=O)c2ccc3c(c2)COC3)nc2scc(-c3ccccc3)c2c1=O 506609775 DHGMYJBOODTPMI-UHFFFAOYSA-N 460.580 5.316 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507906673 BXPVXAJBBMHJKT-UHFFFAOYSA-N 487.968 6.879 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 508264811 HQRCNHUKJNVGAE-UHFFFAOYSA-N 467.529 5.647 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCCC4)nc(O)c2c1C 511077343 AHIMUXQCDQYNFS-CQSZACIVSA-N 486.688 5.866 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511337337 IFFCHVQYNSTMNV-UHFFFAOYSA-N 465.557 5.456 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1 512539710 FYCUEUMPJLZDGH-UHFFFAOYSA-N 455.539 5.588 30 20 JKED COc1ccc(Oc2cc(CNCc3cccc(OCc4cccc(C#N)c4)c3)ccn2)cc1 513126701 WXAPBFHXJKHVRT-UHFFFAOYSA-N 451.526 5.623 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccc(C(F)(F)F)cn1 513160344 MGNUHLSGROENAU-GOSISDBHSA-N 488.263 5.605 30 20 JKED Cc1ccc(-n2c(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)nnc2N2CCCC2)cc1 514486902 PPZRTNMYTAYRIC-UHFFFAOYSA-N 492.674 5.109 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1 516249059 NLPIBIIECOFQFF-UHFFFAOYSA-N 481.531 5.514 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCOc4c(Cl)cccc43)cc2Cl)cc1 516725469 GFMCPQZHCXMYGY-HXUWFJFHSA-N 482.323 5.236 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)CC1 517476829 KPDBXHYEMYLAAO-DEOSSOPVSA-N 483.959 5.080 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1ccc(F)cc1C(F)(F)F 517854196 RTBLWZCBLHFOOP-UHFFFAOYSA-N 471.410 5.072 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1)c1ccc(C#N)cc1 518868939 CNYVTTFAICBIHK-CYBMUJFWSA-N 472.303 5.612 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)cc2)c1 519509833 WYNBKXAFCKFYRN-UHFFFAOYSA-N 487.512 5.543 30 20 JKED C=CCN(C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C)c1nc(-c2ccccc2)cs1 521285461 VXPYXMNWPUNCNP-UHFFFAOYSA-N 467.501 5.133 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 521720909 XNMUAMXYWCBFPB-AWEZNQCLSA-N 474.011 5.162 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)O[C@H](C)C2 521733301 DUQADXQWDYAQHE-LJHODMEESA-N 490.547 6.175 30 20 JKED N#CC1(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)c2)CCCCC1 522205180 ZNVUGSSZEZJMKY-UHFFFAOYSA-N 489.597 5.023 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1ccccc1 524566416 TZOLBNNKWOACHK-UXHICEINSA-N 475.614 6.409 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2)c1 603638598 KFEOIHHGIZYYSH-UHFFFAOYSA-N 473.488 5.190 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1COc1ccccc1 603673409 RVBTVWSRGQMVKW-UHFFFAOYSA-N 453.542 5.087 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 603754912 IZFRIZSBHRQKCT-UHFFFAOYSA-N 469.511 5.002 30 20 JKED N#C[C@H](C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838869 PRTBFEBFMVNNEW-MRXNPFEDSA-N 484.324 5.701 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1C 603897731 MUKJVOOIUOIQPH-IBGZPJMESA-N 497.068 5.199 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc(C3CC3)nc21 603992302 PYTKNFNDOCXITH-UHFFFAOYSA-N 453.571 5.841 30 20 JKED Cc1nc(CSc2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)cs1 609027715 FJEWZQQTFFNGDT-AREMUKBSSA-N 485.634 6.318 30 20 JKED Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062557 BJJKXAZSWGEADH-UHFFFAOYSA-N 457.917 5.935 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)c1 609067223 YEEATAIPCOWKIH-UHFFFAOYSA-N 487.304 5.239 30 20 JKED COC(=O)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 609081759 AXQUXPIRNWGZEL-GHMZBOCLSA-N 496.326 5.009 30 20 JKED N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc1 609097140 BVRNPVUZEAEEEE-SANMLTNESA-N 484.987 5.299 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)c2)cc1 609175935 PXNIMIKQXPAJTO-UHFFFAOYSA-N 457.555 5.317 30 20 JKED C[C@H](Sc1ncccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N1CCCC1 609176659 UREGCTTZMBDQIB-SFHVURJKSA-N 472.570 5.101 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1cccc(C(F)(F)F)c1 609377345 VMXCWGQLVZETQY-AWEZNQCLSA-N 472.492 5.064 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 609434633 DTLMOSKEJFICHF-GDBMZVCRSA-N 471.051 7.049 30 20 JKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609438884 ZNWXCJXHZKZJCI-HOYKHHGWSA-N 491.588 5.267 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c12 613391835 DEBPFBMBEQWOAK-LJQANCHMSA-N 457.603 6.232 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 615614565 MDMMMVAPXDYSAO-DEOSSOPVSA-N 487.575 5.854 30 20 JKED O=C(NCc1cccnc1Oc1cccc(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642792139 PSLUPBCZOUZLJM-ZIAGYGMSSA-N 479.396 5.722 30 20 JKED O=[N+]([O-])c1cc(C=NOCc2csc(Cc3ccc(Cl)cc3)n2)ccc1N1CCCC1 725790823 FWPWNHSNDQOAFC-UHFFFAOYSA-N 456.955 5.446 30 20 JKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 725827093 LRLKLEWVUASKOV-UHFFFAOYSA-N 495.963 5.299 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726229061 DLFXMMLYIFDTKT-IDISGSTGSA-N 481.600 5.481 30 20 JKED Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 726233645 PPRDNPDQWGOWRQ-UHFFFAOYSA-N 484.581 5.252 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 726391905 CSGZKYIFAXXGLF-ORAYPTAESA-N 481.952 5.004 30 20 JKED CC(C)CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406715 LYBZLOUBIBXQLW-QFIPXVFZSA-N 499.036 5.235 30 20 JKED Cc1c(NC(=S)NN=C(CC(C)C)c2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C 726417637 OVIYGGIJZIEERW-UHFFFAOYSA-N 489.567 5.240 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC(F)F 726626960 MZFFGRMIFJPCIX-APSNUPSMSA-N 452.891 5.227 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC)c1 726885981 KJJSUDINAMBGON-JOCHJYFZSA-N 469.607 5.081 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)cs1 727780183 IWMDRWUROAHJPX-SDQBBNPISA-N 475.314 5.691 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 728423105 PDFPDSVIKCVGEJ-KSFYIVLOSA-N 489.988 5.328 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c(C)c1 728777768 OCLJPLJEVOYAFM-JOCHJYFZSA-N 483.037 5.919 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)cc1F 728778623 DNROGYBVNOVQKP-DEOSSOPVSA-N 488.588 5.942 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)c1 729327000 WIODWHFAYUPHHV-UHFFFAOYSA-N 459.571 5.814 30 20 JKED Cn1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1-c1ccccc1Br 729417081 CWUNQJVFXDUNTI-UHFFFAOYSA-N 464.363 5.010 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ncccc3C)C2=O)c1 729633439 DKPIBYAPAPMUDO-RUZDIDTESA-N 486.641 5.784 30 20 JKED COc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)c(F)c2)c(F)c1 730634472 XNZPEWHCZHSRIW-KRWDZBQOSA-N 464.468 5.133 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730943683 JHEUGJZTLQUMEG-FDDCHVKYSA-N 493.032 6.073 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)COc1ccc(Cl)c2ccccc12 731063573 PJRBZAFIMMVJTJ-MRXNPFEDSA-N 468.962 5.448 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731304556 VKJSOILYUPNJIA-QHCPKHFHSA-N 487.606 5.767 30 20 JKED CC(C)CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731305188 IWQAQRGGSVHGPN-OAQYLSRUSA-N 490.025 5.069 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c1 731309430 SHUXKEONFIVLNN-HXOBKFHXSA-N 474.586 5.071 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2F)C[C@@H](C)O1 731400874 WRKSQSAGLSSHNC-FGTMMUONSA-N 456.587 5.155 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(OCc3cccc(F)c3)cc2)ccc1S(=O)(=O)C(F)F 747066756 NYCUMRZZJPYFOR-YRNVUSSQSA-N 476.472 5.306 30 20 JKED COC[C@@H](C)n1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnc1-c1ccccc1 751082552 BGSDNMZIZIFNLX-CJFMBICVSA-N 497.624 5.539 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2 755825019 QLMTXTYOOISZMN-LGMDPLHJSA-N 481.533 5.156 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CC(F)(F)F)C1=O 799212699 XFCJPYNRBLWWQK-QGZVFWFLSA-N 485.915 5.180 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2F)cn1 837302294 YVQAXRYOTJRAOS-JOCHJYFZSA-N 492.576 5.007 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccs2)C1=O)Nc1ccccc1F 838546086 NCNICGJVJUIPPU-LJQANCHMSA-N 475.517 5.326 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccc(Cl)cc1 855475863 YWFBLKGWEVYUHF-VIFPVBQESA-N 488.869 5.599 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914546810 IEMZRRYIOAHZKO-IRLDBZIGSA-N 453.995 5.092 30 20 JKED CN(C)Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)c1 914691789 SGOORXJZSBRIRI-DEOSSOPVSA-N 490.604 5.048 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1cccc(F)c1 914772522 BQBSLYRZERHNGK-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)c1=S 914783321 VHCMTDAGSPBZPE-UHFFFAOYSA-N 481.412 5.733 30 20 JKED CC[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)n1nnc(-c2ccc(Cl)cc2)n1 915086906 YFJJMXOSOMAHOS-DHIUTWEWSA-N 456.937 5.239 30 20 JKED O=C(Nc1ccc(-c2ccccc2)cc1F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 915780788 GDOWYCAXLNTUGJ-GJZGRUSLSA-N 476.392 5.457 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNCc2cccc3cccnc23)c1 915962392 JHUNQQULTFVBFR-UHFFFAOYSA-N 463.541 5.228 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(CC2CC2)C(C)C)ccc1Cl 916048762 KVWXOCWTOKMJFA-UHFFFAOYSA-N 464.990 5.121 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 916209228 HJCJCQIRFGHKOL-FQEVSTJZSA-N 485.396 5.549 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(C3CCCC3)C2=O)c(OC)c1 916210265 YZOXZITXJFYMTN-OAQYLSRUSA-N 488.009 5.260 30 20 JKED CC(=O)N(c1nc(C=NNc2ncc(C(F)(F)F)cc2Cl)cs1)c1ccc(F)cc1F 916286703 PQJDZEJRRQUHMC-UHFFFAOYSA-N 475.830 5.619 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916902146 VCNQLXQYZGFASQ-KRWDZBQOSA-N 478.892 5.270 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905265 JUKIIIPBTIZYIP-NRFANRHFSA-N 467.550 5.796 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 916909656 QFYXXTFXVILFKM-JOCHJYFZSA-N 480.499 5.254 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 916946475 VTRGZDJMGHYDNW-SFHVURJKSA-N 486.403 5.886 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917045901 CJSALBOYJZZURW-AWEZNQCLSA-N 477.767 5.560 30 20 JKED COCCOc1cccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)c1 917143171 IHSPFMGVQCOGTA-HAVVHWLPSA-N 463.961 5.887 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)c1OC 917663462 CNHAVAUTOFDMBK-QFIPXVFZSA-N 493.560 5.003 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C(C)C)c1 917714822 ZVYGVJZHPIBKFD-IBGZPJMESA-N 463.525 5.809 30 20 JKED COc1ccc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1NC(=O)c1ccc(Cl)cc1F 917938467 MRIQULGGZIBZPO-AWEZNQCLSA-N 466.900 5.051 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)C3CCCCC3)cn2)cc1 918269007 BVQAVOMZMZJOJE-RUZDIDTESA-N 454.530 5.122 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)c1 918331144 LOTQPMRQXNVVRR-SDXDJHTJSA-N 461.543 5.034 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918488020 UDKAWZUDXRYHFW-QGZVFWFLSA-N 471.409 6.808 30 20 JKED C[C@@H](NC(=O)C1CCCCC1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 918490711 VHDDJUBOIBJMFF-WBMJQRKESA-N 450.391 5.378 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)cn2)c1 918566334 PAOCOZPBRMRJTQ-RUZDIDTESA-N 461.477 5.452 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)cc1 918712030 GIRWHKGSDQAJMF-NTEUORMPSA-N 491.034 5.302 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 920019128 ZTJDROWPABZUFR-UHFFFAOYSA-N 495.988 5.349 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920109537 QTMUHBVGFBMDCN-AWEZNQCLSA-N 477.735 5.111 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)cc1 920113991 WJAZXAOPGVRKDI-FQEVSTJZSA-N 497.320 5.028 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)COC(c3ccccc3)c3ccccc3)n2)cc1 920141571 FMVZQMMUVBVKGK-HSZRJFAPSA-N 454.551 5.801 30 20 JKED COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 920457023 LLPFMUONRIFDOY-QFIPXVFZSA-N 471.557 5.596 30 20 JKED CSc1ncccc1C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785795854 GZYWKJWMSBFFPF-UHFFFAOYSA-N 470.598 5.056 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c(-c5cccc(OC)c5)c4)CCC3)cc2)C1 1785806794 HEPFTOQYJDJJNW-UHFFFAOYSA-N 455.558 5.404 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2)CCC1 1786028373 FZLBYFYHTHDWFR-ZEQRLZLVSA-N 450.554 5.046 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)c(C)n1 1786041619 OSQGDLOHFXETNT-UHFFFAOYSA-N 480.612 5.270 30 20 JKED CCc1nn(C)c(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c1Cl 1787124262 KORTYZBADRCQPN-UHFFFAOYSA-N 499.131 5.435 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)CC[C@H]3CNc4ccccc4C3)cc2)CCC1 1788066245 DHBISLMHYMYSAH-KBMIEXCESA-N 465.663 5.140 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)[nH]c2c(Cl)cccc12 1788501805 CVIWBOWMIFCDFO-UHFFFAOYSA-N 492.023 5.159 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5cc[nH]c5c4)cc3)CCC2)c(C#N)c1 1788914084 ZFPZUNNWMLWUEG-UHFFFAOYSA-N 478.552 5.039 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)cc2)CCC1 1789218898 GWOPYDGEWJXDDR-UHFFFAOYSA-N 479.584 5.271 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)cc2)CCC1 1789287699 VYGLTVMEUJGUBR-MRXNPFEDSA-N 470.495 5.313 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CNc5ccccc54)CCC3)cc2)c1Cl 1790081810 QAINWERVCDUJCW-JOCHJYFZSA-N 470.960 5.169 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ncccc45)CCC3)cc2)c1Cl 1790083400 FHSDUZLNTNMUJZ-UHFFFAOYSA-N 497.986 5.468 30 20 JKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)o1 1790787599 PJWZAKLIUQDCPA-UHFFFAOYSA-N 481.474 5.469 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)CCC2)cc1 1791573522 AIRJMCCXUIRSKF-OAHLLOKOSA-N 467.541 5.093 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(OC)cc3)CCC2)cc1 1791582909 KJRPXBOMCXMTFY-UHFFFAOYSA-N 467.569 5.308 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1)c1ccc(O)cc1 1791642806 WJQPOZLKWIATLI-NRFANRHFSA-N 492.579 5.213 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)CCC1 1792173362 WMEFMOHBTWHXHM-HNNXBMFYSA-N 479.474 5.393 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(-c3ccccc3)ccn2n1 1796552806 GJVKIJFODPPTRO-QEIWAGNOSA-N 468.601 5.022 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/C(=O)c2cccs2)cc1 1796896177 QUBYRZZKEYVFFF-AYPWKMIQSA-N 484.621 5.414 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cc(Br)ccc2c1 1797983799 ZPCZQBUOFUWHPY-RWXMBLCBSA-N 455.396 5.066 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)c(Cl)c2)CC1 1802140242 BISSXNFOKSDZSD-IYWMVGAKSA-N 461.433 5.432 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[C@@H]2c2cccnc2)C1 1802414848 ZPCJUHQAPHTDLV-WZONZLPQSA-N 484.427 5.092 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1802738126 HWRXWBGLYNBEKD-NFBKMPQASA-N 487.522 5.068 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1803083371 BTFOKCZJVPMCRE-LSYYVWMOSA-N 480.612 5.232 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1803561627 JCRSAAYNJFJMPI-FIBWVYCGSA-N 491.676 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)c1 1803684809 ONKGCUVDLNNPEV-ABQRKTDGSA-N 492.579 5.621 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1806544182 YODPQHOPJYHDQP-SGIRGMQISA-N 485.550 5.117 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1808488418 YVRVOLZQCSMMOH-HMHJJOSWSA-N 477.992 5.527 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)CC1 1809276189 CHLZNHNPHMBREU-QFIPXVFZSA-N 462.556 5.248 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)/C=C/c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 1809493064 CJDFKKLGQGJYHH-YGWZTVPSSA-N 490.563 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1810173153 FTHVKYWNMDXSKE-BGWNEDDSSA-N 496.449 5.241 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[C@H]1c1cccnc1)c1ccccc1 1810446959 ILMMZXYBTBCAKU-WIHLPAMKSA-N 483.656 5.111 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)cc1 1811358017 FIQRHXZUUSBAOJ-VRCMMSRPSA-N 484.644 5.074 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811538766 NWYWGYNVKXHPTJ-SVEHJYQDSA-N 465.597 5.180 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1811790050 HRYHFYVQWLAUAC-WNQFUHBBSA-N 480.612 5.103 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)[C@H]1c1cccnc1 1812584979 YFYQPAKSUXVPIK-AYGLBXGJSA-N 485.628 5.015 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCCC(=O)OC)[C@H]1c1cccnc1 1812592070 JXUUIPYCWQKEPX-AGJHTDJMSA-N 499.696 5.374 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)s3)[C@H]2c2cccnc2)c1 1813864953 JDJDYSIUXUQOPG-LQNXUBFPSA-N 479.005 5.057 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1813869664 MBQZNYQRSRZGMM-VKGMGNCJSA-N 486.660 5.491 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1)c1ccccc1 1815020113 JQRUVVNNDAOVFI-GMAHTHKFSA-N 482.575 5.425 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2scnc2C2CC2)n[nH]1 1816254791 DMIOAVCNPQGENK-LJQANCHMSA-N 483.714 5.101 30 20 JKED Cc1ccsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1816349596 ATLJILVODKKWRM-SFHVURJKSA-N 498.406 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccccc2C(F)(F)F)n[nH]1 1816908419 BBCWZRBTRHKPNO-WIYYLYMNSA-N 474.527 5.432 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CC3)n[nH]2)cc1Cl 1817113507 NQBFVYJBXWICDI-SFHVURJKSA-N 490.391 5.113 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)c1 1818117763 CILCWEFXIUPFQR-UCFODXPJSA-N 482.993 5.178 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)n[nH]2)C1 1818433621 IGPGVXVTOILZDA-QFIPXVFZSA-N 491.979 5.523 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[nH]n1 1819303956 USEYYXSSSRDMMX-DHLKQENFSA-N 487.604 5.488 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1819307333 FVCURHIWKHKPAI-GCJKJVERSA-N 487.629 5.951 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c(C)c1 1819386770 HHNWOULOFCYHIN-QHCPKHFHSA-N 480.685 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1819556011 OEDDUGGCVBKFJY-GMAHTHKFSA-N 486.060 5.351 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[nH]n2)cc1 1820547556 RWLUWMWIYZKHRL-JOCHJYFZSA-N 499.958 5.814 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(F)c(C#N)c3)n[nH]2)CC1 1820915021 MTZOVLMPWSILJX-YOSAUDMPSA-N 479.600 5.118 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)ccc1F 1820915688 YQIOXFDMRVSKIB-KMEWNKIWSA-N 497.530 5.115 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157519 KXPZJIDKUKMXIV-HOYKHHGWSA-N 459.594 5.335 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)[nH]n2)c1 1821271654 DCTAGSFMITYWCG-DEOSSOPVSA-N 494.530 5.102 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)cc2n1 1821276544 YYNBUHNVVIFWQT-HXUWFJFHSA-N 488.935 5.004 30 20 JKED CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)CCCCC1 1821280493 VQSVHTXAFDDFMK-HXUWFJFHSA-N 453.974 5.211 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)[nH]n2)c1 1821322805 TVJIZGUTFQCRAK-QFIPXVFZSA-N 495.505 5.157 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)[nH]n1 1821925405 SAWHZOKBWGQHLG-LAUBAEHRSA-N 481.597 5.275 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)[nH]n1 1821990832 YCJAHWVXKVZXCN-LOWQCSRCSA-N 499.381 5.151 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823211549 NWIUTNZQFIIEBT-MHPIHPPYSA-N 485.588 5.155 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1F 1823215910 KCFYIKYWIAEIDE-WAIKUNEKSA-N 477.515 5.243 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c1 1823218579 SXXJNDCPJYLVLK-OYHNWAKOSA-N 479.943 5.449 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)CC1 1823887225 CANCJXXMWILPIP-IBGZPJMESA-N 485.934 5.022 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1823916423 QRGGTFHEWYZKDO-VWLOTQADSA-N 481.999 5.135 30 20 JKED O=C(c1cccc2cnccc12)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824057686 STOQYPJYWNJSAN-HHHXNRCGSA-N 486.015 5.173 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CSC2CCCC2)CC1)c1ccc(O)cc1 1824478582 SBKVOUZYBRHNMH-SQHAQQRYSA-N 496.717 5.185 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1824540598 ZWRCAHHTRWVBNY-XUZZJYLKSA-N 489.081 5.788 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825574443 AUZQNKRQBSAENN-HSZRJFAPSA-N 473.539 5.266 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1 1827923068 WQFNZHLYUGMBJI-DEOSSOPVSA-N 481.662 5.026 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C)cc(C#N)c4)CC3)cc2c1 1828524671 AEWZWBBBXBDKQZ-VWLOTQADSA-N 485.584 5.169 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1829065745 AATBYTCFOTVQLN-FQEVSTJZSA-N 468.560 5.833 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829677376 XCIXHFNCEAGYLW-XMMPIXPASA-N 499.533 5.133 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cccs3)CC2)c1Cl 1829688859 KVGFGYWAANMQAR-DGSRBQDKSA-N 468.022 5.220 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701160 LRUCQBINVYLFCY-URXFXBBRSA-N 469.025 6.088 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829903227 BAEVNSYJUWIZSW-BKMJKUGQSA-N 476.617 5.303 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830015993 ZKSJMTPHTMCNFM-GCJKJVERSA-N 467.660 5.034 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)CC2)c1 1830191549 IQIHPCQJBIYGMX-LYZGTLIUSA-N 482.628 5.271 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C)cc3Cl)CC2)c(C#N)c1 1830292429 QMDCXYQMPNMICR-SANMLTNESA-N 494.035 5.005 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471916 QHADFHJCBGCBBH-CVDCTZTESA-N 492.060 5.161 30 20 JKED CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCC1 1830756739 SYDSGSWAEXJNAF-JOCHJYFZSA-N 475.555 5.391 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1)C(F)(F)F 1831453567 FFNDYCFPXMSCHK-OAQYLSRUSA-N 479.930 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)CC1 1831590554 WUAMZTCIQIFAEO-LASATKFFSA-N 450.623 5.097 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)CC1 1832171224 CDNWYZWSSNHMKE-ZOXUKVPXSA-N 491.495 5.337 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1833076786 HETUXCRJPRCUGH-WNCULLNHSA-N 481.725 5.380 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C3(c4ccccc4)CCCC3)CC2)CC1 1833208957 KMJFEDVDKLNSKA-UHFFFAOYSA-N 479.709 5.062 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cccc(CCCCC)c3)CC2)CC1 1838373955 VRDXTTDJUZXMFA-GDLZYMKVSA-N 494.720 5.729 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172865 XZXKVDAGZLMPAQ-UHFFFAOYSA-O 467.561 5.678 30 20 JKED Cc1cccc(C)c1OCc1nnc(S[C@H](C)C(=O)Nc2ccccc2C#N)n1-c1ccccc1 11390875 NWOCDMSPXMOADD-HXUWFJFHSA-N 483.597 5.454 30 20 JKED C=CCn1c(SCc2nc3c(C)cccc3c(=O)[nH]2)nc2sc(-c3ccccc3)cc2c1=O 16220382 PBABEQPXTWXGCS-UHFFFAOYSA-N 472.595 5.148 30 20 JKED Cc1cccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2c[nH]c3ccccc23)c1 21459002 JRXIYXVJPNJGKQ-SFHVURJKSA-N 478.581 5.715 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 22162769 DWKDVMDHYZDBBY-AWEZNQCLSA-N 475.387 5.002 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)c3ccc(-c4nc5ccccc5s4)s3)n2)C[C@@H](C)O1 22300492 HFQHWPYCHLQQKC-OKILXGFUSA-N 470.645 5.727 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2F)c1 23484170 OEANXUAQYSYMDZ-UHFFFAOYSA-N 472.969 5.133 30 20 JKED C=CCn1c(SC[C@H](O)COCc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 24096067 UXBGJNGXZWIXEC-LJQANCHMSA-N 494.842 5.217 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 24449468 WWHDAAWGEASLEI-UHFFFAOYSA-N 453.247 5.757 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(F)c(C)c2)nnc1-c1ccc(Cl)cc1Cl 26054231 QLZJZNHEUQRPCW-UHFFFAOYSA-N 465.381 5.294 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2ccc3ccccc3c2)c1 27645864 GSXZUBYLHOIUKM-UHFFFAOYSA-N 465.578 5.415 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 32833393 NSHSOVIGTZDLIO-UHFFFAOYSA-N 460.647 5.251 30 20 JKED COc1cccc([C@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c2c[nH]c3ccccc23)c1OC 110524650 IZCVOFHSRCEUCQ-CUBQBAPOSA-N 497.595 5.408 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 116553050 AXPHUKBAKGVJNQ-UHFFFAOYSA-N 497.511 5.381 30 20 JKED COc1cc([C@@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC1CCCC1 409509492 WZFBUMCBDKJHNJ-LJQANCHMSA-N 490.604 5.010 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1 493966027 ZOZHZKRAXZSQMK-DHIUTWEWSA-N 461.359 5.836 30 20 JKED CCOc1ccc(CN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)c2ccc(OC)c(Cl)c2)cc1 499165940 FYRWDZJTQVSRIR-UHFFFAOYSA-N 493.991 5.502 30 20 JKED CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2C#N)nnc1-c1cccc(C)c1 501000597 PTXAVOHPJFOHCZ-UHFFFAOYSA-N 457.559 5.064 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)cc2)n1 501132984 NHOXXGTYCYCZKM-UHFFFAOYSA-N 486.626 5.377 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)CC2)c1 501720099 MKGWBLKIJNUHNG-UHFFFAOYSA-N 494.570 5.656 30 20 JKED N#Cc1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)CC2)c(F)c1 504889198 NMZGAPOXCURPTB-UHFFFAOYSA-N 475.376 5.019 30 20 JKED N#CCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 505501591 QWRFBIFZXKYTBV-OAQYLSRUSA-N 472.376 5.018 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCc2cccc(C(F)(F)F)c2)cc1C 507001983 NHUAHIPNPJQEMT-UHFFFAOYSA-N 454.496 5.462 30 20 JKED CSCC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nnc2ccccn12 510540321 UYPQSNTUHOOZSL-HXUWFJFHSA-N 458.547 5.009 30 20 JKED Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2cc(Br)ccc2n1 510963390 ALZJIWMGVMESOH-UHFFFAOYSA-N 496.415 5.574 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)cc1 511182686 JIQFEVBRLOPQDD-UHFFFAOYSA-N 481.577 5.407 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(Br)s2)cc1 511373405 PERHUEZWDSTCDN-UHFFFAOYSA-N 456.365 5.477 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 513237646 CQNUQWGJIWOTEB-MRXNPFEDSA-N 481.549 6.476 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1ccccc1F 515306606 GONCLYGVSDEAAY-UHFFFAOYSA-N 472.343 5.375 30 20 JKED C[C@H](SCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc2ccccc2[nH]1 515655529 RIPQIOOPMDILQP-SFHVURJKSA-N 456.571 5.641 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 515874775 ZNFNYBKBCJFPHC-UHFFFAOYSA-N 498.383 5.699 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCOc4ccc(F)cc43)cc2Cl)cc1 516710753 RCVPLICDWSIIEJ-OAQYLSRUSA-N 479.895 5.112 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)n2)cc1 517801180 ZJSBEIOUDSJBCG-SFHVURJKSA-N 476.508 5.261 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 517840159 RACIMMBEQWJSAA-UHFFFAOYSA-N 468.340 5.108 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 518649013 IARHQQBOBBKSGU-RTBURBONSA-N 451.592 5.113 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c2ccccc12 518653963 QCPIRONGWVWOKV-SFHVURJKSA-N 470.623 6.422 30 20 JKED Cc1cc(NC(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)n(CCC#N)n1 519442173 WJCCOPJEOQSUHL-UHFFFAOYSA-N 498.534 5.253 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(C(=O)c4cccc(Cl)c4)CC3)cc2)cc1 519988651 DOSKOBOZVHIVBT-UHFFFAOYSA-N 474.948 5.384 30 20 JKED CCN(C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1)[C@@H](C)c1ccc(C#N)cc1 520027085 ICJYVPJSIOZWBA-INIZCTEOSA-N 468.351 5.420 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 520141369 XQKGPFRUKDNHDK-UHFFFAOYSA-N 459.546 5.257 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 520145164 XPXOPKNRKZFDLO-JOCHJYFZSA-N 461.949 5.038 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccccc1Sc1ccccc1 520840057 BRLAXLHNMCNFKC-GOSISDBHSA-N 461.612 5.344 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 522323761 BYCQVKFNNMPAMW-UHFFFAOYSA-N 484.506 5.936 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCc3c(Br)cccc32)cc1 524367956 YUTIHOCVLBUJDI-DEOSSOPVSA-N 476.374 5.903 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524440925 IHBBBGNJJFEMDL-UHFFFAOYSA-N 487.947 5.493 30 20 JKED C[C@H](SCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(OC(F)(F)F)cc1 524613892 MXBNAAAYYMHZMB-CABCVRRESA-N 454.539 6.412 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OCc3ccncc3)cc2)cc1Cl 562857202 QTHFCIFXASDOFC-RUZDIDTESA-N 453.929 6.222 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)nc2sccc2c1=O 588636150 DOVGFUIUSBHEPJ-GGAORHGYSA-N 478.639 5.212 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCCC(=O)Nc2ccccc2C#N)n1-c1ccccc1 589942103 IVPHJNFMESNPOQ-UHFFFAOYSA-N 483.597 5.456 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 590532865 NGCLDIWASFBPGX-STQMWFEESA-N 490.366 5.472 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)cc1 603638119 UWKBSPIGWYIKBX-UHFFFAOYSA-N 476.374 5.684 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 603855700 FEFKUPNWQLDFLB-NRFANRHFSA-N 463.409 5.096 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1Cl 603971427 OMZHLNPSVGBTSA-HXUWFJFHSA-N 473.941 5.515 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCCOc2ccc(F)cc2)cc1Cl 604136852 BZURBYGXYQPLSX-HSZRJFAPSA-N 479.939 5.048 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCCN(Cc4ccccc4)C3)c2)cc1 604475111 QYIVJFJEPGWXSE-AREMUKBSSA-N 468.601 5.365 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)cc2)c1 609064983 WBHHJSJXRIOSBE-UHFFFAOYSA-N 481.409 5.128 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 609084066 PXQYYBWOMAECLG-KRWDZBQOSA-N 492.373 5.024 30 20 JKED CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 609206521 NIWZMAGODYFMFW-VWLOTQADSA-N 487.003 5.764 30 20 JKED CCOc1cc(CN(C)C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 612805801 QOKUNAQVMTYZPQ-WDNDVIMCSA-N 492.407 5.738 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)n2)cc1 613318244 SJHRCYAHOINODQ-NRFANRHFSA-N 469.541 6.308 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1NC(=O)c1ccccc1 613319774 KZPDOQKJJGLXRP-NRFANRHFSA-N 471.969 6.514 30 20 JKED Cc1cc(Br)oc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344701 NKBROVUOIMKJRZ-LLVKDONJSA-N 456.148 6.271 30 20 JKED O=C(N[C@H](COc1ccccc1F)c1ccccc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618556409 PZEFZOQRCMCSNC-SOLBZPMBSA-N 478.408 5.718 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccnc2)C2CC2)nnc1-c1ccc(Cl)cc1Cl 620979118 KYSRTJQZBSUPRN-UHFFFAOYSA-N 474.417 5.116 30 20 JKED C[C@@H](c1ccccc1)n1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2ccccc2c1=O 656399570 AVGYFTDCUGTDSI-FQEVSTJZSA-N 492.604 5.849 30 20 JKED Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nn(CN(C)CC#N)c2=S)c1 725772421 PTOBAHYXKWGIJC-UHFFFAOYSA-N 462.406 5.319 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)S/C2=N\CCc2ccccn2)c1 726107385 BWWYNWYOTXWJLR-OJEZVBBGSA-N 486.641 5.078 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCc2ccccc2)cn1 726109849 DMPQHQDVOJSZNR-QHCPKHFHSA-N 493.608 5.025 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c12 726321996 QWYCMAIFKYSVJB-INIZCTEOSA-N 466.831 5.091 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 726324987 ILGSIDWMKAVLLC-LJQANCHMSA-N 494.523 6.243 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCCOC1CCCC1)c1cccs1 726420197 HQGYBZWNOWYJIT-RHWZNEOSSA-N 485.675 5.487 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CC3CCC3)C2=O)cc1 726422024 UFDYHTOBWICXTR-PUHHMSNFSA-N 469.632 5.141 30 20 JKED N#CCCCOc1cccc(/C=C(/C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)c1 726741336 FAUBYRXJEUJXBO-HAVVHWLPSA-N 470.960 5.756 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCc3nnc(-c4ccc(Br)o4)o3)c2)cc1 728667875 DUEOAHALKIGPAY-UHFFFAOYSA-N 466.247 5.113 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1cccc(Cl)c1 728777013 HZWIRAPHHXRCBF-LJQANCHMSA-N 493.391 5.787 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1OC 729435817 ZOLDKFRQOJKISF-KBXCAEBGSA-N 471.966 5.015 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(C2CCCC2)C1=O 730537197 PIAKCYFSEMEZSL-NRFANRHFSA-N 455.555 5.046 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2ccccc2n1C(F)F 730690846 YBFDIEUPSMAJJC-LBPRGKRZSA-N 464.419 5.869 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)cc1C 730710951 VRUVFDZJHTUPFN-HXUWFJFHSA-N 486.956 5.244 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cc3ccccc3o2)C1=O)Nc1cnccn1 730720693 TYXYDYBWMZVFSJ-FQEVSTJZSA-N 491.960 5.037 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730943918 NIJOITJTAMWGAA-SBUREZEXSA-N 494.567 5.698 30 20 JKED COc1cc(/C=C\C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1c(C)noc1C 731335479 QNWVSMBJHBOANH-LUJNMSEFSA-N 477.586 5.925 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 743294473 KMZIGJNMXDFBNZ-CLJLJLNGSA-N 488.632 5.985 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)cc2)n(Cc2ccccc2)c1=S 746050626 VCDUOHGXQIMRPL-UHFFFAOYSA-N 487.604 5.246 30 20 JKED N#CC1CCN(Cn2nc(-c3ccc(Br)cc3)n(CCc3ccccc3)c2=S)CC1 747079011 QJWOHAANEZQWJV-UHFFFAOYSA-N 482.451 5.279 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCc2nccs2)c1 747601786 HNILPVOKJZADGU-FQEVSTJZSA-N 499.061 5.616 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)nnc1-c1ccccc1F 748357339 AHOOPAQDVPYJDW-UHFFFAOYSA-N 465.598 5.381 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c2ccccc21 829538892 HGZXUVDKRRNEEC-UHFFFAOYSA-N 461.905 5.222 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837451222 UFXXPYZPFQQKMD-JPYJTQIMSA-N 476.577 5.559 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2cccs2)C1=O)Nc1ccccc1F 837519235 NJKYLYGBCMRPKD-FQEVSTJZSA-N 453.564 5.090 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 837668961 YKBXKTDJPITXEE-PXDATVDWSA-N 486.641 6.037 30 20 JKED N#Cc1ccc(OCc2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)cc1Br 904508141 POGBSPAZCYTPPF-UHFFFAOYSA-N 467.254 5.276 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 914538852 XLPQXRTVMFJRMZ-NFBKMPQASA-N 472.614 5.098 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)c3cc[nH]n3)c2C#N)C(C)(C)C1 915427271 HGLOYRSSZZZULY-PLNGDYQASA-N 478.599 5.286 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3ncsc3c2)c1 915603253 WKMOJLZQFSAQQN-UHFFFAOYSA-N 484.002 5.583 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2csc(-c3cccc(Br)c3)n2)S1 915848948 APCAGZKQBCMVFJ-YVLHZVERSA-N 470.417 6.081 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(OC(F)F)cc1 916211378 NJJLXXQGAQTDNF-LJQANCHMSA-N 477.533 5.057 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc2ccccc12 916217586 QSXHQEMXOADGQM-QHCPKHFHSA-N 461.587 5.145 30 20 JKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1cn(Cc2ccccc2)nc1-c1cccnc1 916278219 IKOCBIXQADQGAW-UHFFFAOYSA-N 471.977 5.076 30 20 JKED COc1ccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 916546231 HEDZCNWIKWEAPJ-UHFFFAOYSA-N 469.910 5.283 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546586 ZUZFEAIMEDKORT-UHFFFAOYSA-N 461.353 5.393 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 916905133 ALUUROVWBAXPDO-HSZRJFAPSA-N 453.542 5.333 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 916914477 LUWCRZQPEFPMGU-FTJBHMTQSA-N 466.537 5.445 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916943497 YMMWDUBYEVQMOO-SFHVURJKSA-N 458.370 5.624 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1Br 916974608 NTJXBWFRCJBMIV-QGZVFWFLSA-N 455.377 5.699 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nnc(C)n3-c3cc(C)ccc3C)n2)cc1 916974766 PLXLAEGHMKBDSW-HXUWFJFHSA-N 473.627 5.593 30 20 JKED CSc1nc(C)c(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1 917043373 LKRGYZPQLPZYAX-AWEZNQCLSA-N 450.511 5.253 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1nc2cc(Cl)ccc2s1 917047442 XEIZNONVTKLJNH-GFCCVEGCSA-N 458.977 5.139 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 917377117 QUBOTXXWJZHSAT-XMMPIXPASA-N 485.385 6.159 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 917517604 JHOODSBLQSACTO-JXMROGBWSA-N 463.877 5.717 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(C)c(C)c2)n1 917660745 LEWBLSKDQGNIBX-QHCPKHFHSA-N 494.567 5.446 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccnc(C)n3)C2=O)c1 917678728 FATNEUHMPQZDLU-JOCHJYFZSA-N 494.020 5.216 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(CC2CC2)CC1 917686904 GJKGVZFFOQTMEG-VWLOTQADSA-N 490.673 5.084 30 20 JKED Cc1oc2cc(OS(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2c(=O)c1-c1ccccc1 917855394 UWSYQUUGPFXVAC-UHFFFAOYSA-N 451.887 5.061 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c1C 919079268 JNZXLOKIYFHGMH-UHFFFAOYSA-N 475.492 5.344 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)C(=O)Nc1cccc2ccccc12 920109357 DKKLVDRRQCGRNW-LJQANCHMSA-N 488.341 5.537 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccccc4Br)o3)n2)cc1 920111649 XSCCXTCFCNXZON-GOSISDBHSA-N 492.398 6.345 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(-c4ccc(C)c(F)c4)no3)n2)cc1 920144770 XFWBGIRMNZHTAG-GOSISDBHSA-N 462.506 5.125 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc2c(c1)CCC2 920175896 MODPVYZQRWCPMC-LJQANCHMSA-N 461.509 5.174 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 920341640 CFHQDIVZIXDRTR-WOJBJXKFSA-N 470.356 5.210 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1 920443458 ZDRPXKUVWCYKLK-UHFFFAOYSA-N 494.661 5.568 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 921034946 HEMPRYBRDJYXIX-KKSFZXQISA-N 471.513 5.215 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(N(C)C)c3ccccc23)C1 1778578650 ISTLPWVCTIDWPO-PDDLMNHVSA-N 491.676 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)C2)C1 1782091086 LQNXRPIYFGEWLW-RUZDIDTESA-N 497.463 5.217 30 20 JKED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCCCCCCCCc3ccccc3)C2)CC1 1783218480 PGCJJETXACBOQG-PDDLMNHVSA-N 493.692 5.168 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CCC3)cc2)C1 1785808038 IIHMLKCWRSZYJF-QFIPXVFZSA-N 483.653 5.416 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)SCC(=O)N4)CCC2)cc1 1786102985 GZNLLTSIKGYUFF-UHFFFAOYSA-N 475.614 5.247 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(Br)cc34)CCC2)cc1 1786370573 DCUDEILZNDCLHO-MRXNPFEDSA-N 496.405 5.269 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(CNC(=O)OC(C)(C)C)ccn3)cc2)CCC1 1787128229 VBLHVHWRCGFBRI-LJQANCHMSA-N 492.620 5.066 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3Cl)cc2)CCC1 1787130741 YZSUQFPAJPVIFR-HXUWFJFHSA-N 469.029 5.808 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)CCC(F)(F)F)cc3)CCC2)cc1C#N 1787872504 MNVXASWMVZOGAG-UHFFFAOYSA-N 473.495 5.436 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cccc4ncsc34)CCC2)cc1 1788650461 BZJZKDYYZIHDNG-VAWYXSNFSA-N 487.606 5.545 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccn4ccnc34)cc2)CCC1)c1ccccc1 1789311115 LVPWNUIJJFPNTA-VWLOTQADSA-N 476.580 5.279 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1789582039 RLZJKACJMFSIBL-KNTRCKAVSA-N 453.542 5.240 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(Cl)cccc4n3)CCC2)cc1 1789626464 YAVCQZXPPJCPIN-UHFFFAOYSA-N 464.997 5.728 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4cccnc4)CCC3)cc2)c1Cl 1790083434 GUUVZEMHNDQVOG-UHFFFAOYSA-N 472.976 5.377 30 20 JKED CC(C)n1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)c(C(F)(F)F)c1 1790144872 OXIIYZGHVVRPCA-UHFFFAOYSA-N 483.494 5.349 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Br)cc3)cc2)CCC1 1790471746 NDVDNNVZQNDNPB-INIZCTEOSA-N 491.451 5.061 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCCC3)CCC2)cc1 1790519240 ILGICFPJNTUQHL-QFIPXVFZSA-N 469.626 5.170 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc(Cl)c3O)cc2)CCC1 1790757384 OYANGAJWZVTAQH-AWEZNQCLSA-N 463.361 5.038 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)CCC3)cc2)c1 1790764182 ZULZPHDXWZLJPH-DSNGMDLFSA-N 483.568 5.333 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3(NC(=O)OC(C)(C)C)CCCCC3)CCC2)cc1 1791583674 YDEWYBCEYUKMIZ-UHFFFAOYSA-N 481.637 5.152 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1791589813 IAZLPJSLLYABSW-WTIAFYNJSA-N 481.637 5.265 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](c2ccc(OCc4ccccc4)cc2)C(C)C)C3)C1 1792503910 IXRKJMIJDOGPIG-UMNYJUJISA-N 486.656 5.610 30 20 JKED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ccccc12 1797279611 DDYMRQXDPONWLI-LMMUWCHVSA-N 473.642 5.108 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1802504566 ZHVDOEGHYCIKPB-NOZRDPDXSA-N 486.616 5.357 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1803081901 OTJHMNMQOARDAN-QPPBQGQZSA-N 451.998 5.131 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1803605664 GHNOAKLPZLEJBC-YSSFQJQWSA-N 499.986 5.028 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)CCCc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 1805938161 NAWWLQLVEAUPIV-UHFFFAOYSA-N 497.561 5.445 30 20 JKED CC#C[C@H](CC(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1)c1ccc(O)cc1 1808536506 LFYCOXPJEJNOQM-YPQHCJRJSA-N 499.655 5.127 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3cc(C)[nH]c23)[C@@H]1c1cccnc1 1809267783 KBKICFFKUYUIQA-RDGATRHJSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810172481 BOUZODXEYHBVSY-IARZGTGTSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(CC(C)C)cc2)[C@H]1c1cccnc1 1810174654 OMMGXHZHEBNHCQ-PFBJBMPXSA-N 459.634 5.368 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@H]3CCN(C(=O)CC#N)[C@H]3c3cccnc3)cc2)cc1 1810602728 WWIJWUQGURERTM-PXJZQJOASA-N 480.612 5.324 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1811948807 PBXWBRCNEHUAGU-IRLDBZIGSA-N 473.539 5.412 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Br)cc(C(C)C)c2)[C@H]1c1cccnc1 1811983663 ORAIKNOBXACYLJ-NBGIEHNGSA-N 496.449 5.091 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1812669483 AYLQTOGXUCKSFY-HRAATJIYSA-N 489.975 5.481 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)[nH]n1 1814828810 JSJPGHJVAQDALY-GCJKJVERSA-N 452.521 5.088 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1814830843 JCLHYCFZQCUCOB-HSZRJFAPSA-N 475.593 5.143 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)cc2Cl)n[nH]1 1815577915 JWGORVQSOOWNSO-GHTZIAJQSA-N 458.965 5.205 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccsc3)n[nH]2)cc1C#N 1817526796 SSSJYVLTHQUPEG-JOCHJYFZSA-N 491.617 5.069 30 20 JKED CC(C)n1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)c(C(F)(F)F)c1 1818213779 LNLXKHKNSDGRER-OAQYLSRUSA-N 498.509 5.302 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)[nH]c12 1819025244 CNJXWNDTOYYBBJ-QFIPXVFZSA-N 486.963 5.344 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819386337 JJFSXASCMXMRHG-YKSBVNFPSA-N 489.696 5.394 30 20 JKED Cc1ccc(NCCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(C)c1 1819465106 YKZDOJNITCDXLZ-QFQXNSOFSA-N 498.631 5.462 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820078916 BGAINGQSNWHEMT-CJFMBICVSA-N 481.600 5.848 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820099619 VUKIBCYSLGJJAL-GCJKJVERSA-N 487.629 5.951 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820550961 BSFKGBIBPGZWAE-XMMPIXPASA-N 487.629 5.219 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cccs3)[nH]n2)c(Cl)c1 1821276073 CZTBYVPJIFJVGS-JCOOBLOPSA-N 465.966 5.016 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)[nH]n1 1821921780 UUMZOYSAFLFQMT-AUUYWEPGSA-N 484.398 5.172 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1)c1ccc(O)cc1 1822465104 LHGAHBPDXVEMDH-DDZLNHKNSA-N 488.563 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3c(F)ccc(F)c3F)[nH]n2)c1 1823210469 FDHIVBTXPADKIT-QRQCRPRQSA-N 495.505 5.003 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823217662 WFYBYVJLCFQVTC-RLSLOFABSA-N 469.589 5.455 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826672280 JFXLHBPDTSMNFE-GOSISDBHSA-N 482.440 5.420 30 20 JKED C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827684764 RQLLYHFCIAAECN-UTXUYHSBSA-N 478.658 5.301 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2F)CC1 1827992195 MEASKMLADQAHJQ-QFIPXVFZSA-N 491.445 5.324 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]3C)CC2)cc1C#N 1828487729 DESMBTHLKVJZJU-ZPZUNKDASA-N 465.638 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828553447 QVENOHCCLIGTGZ-GCJKJVERSA-N 491.682 6.137 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnc3[nH]ccc3c2)CC1 1829070915 NKMRLRPHAZLCSP-XMMPIXPASA-N 464.654 5.108 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(Br)cc2C)CC1)C(F)(F)F 1829785475 UXGFEZLBMLNZTI-OAHLLOKOSA-N 493.389 5.171 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)Oc3ccccc3)CC2)c1 1830406301 OCPAXJRUAURQPK-LOYIFYEOSA-N 473.617 5.014 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830535909 VVQBZMAVZWALBK-IIBYNOLFSA-N 454.508 5.290 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830632136 ABSFDRRPPTUDDA-XMMPIXPASA-N 464.009 5.262 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCNc3ccc(C)cc3C)CC2)c1 1830769688 VOFKTMBEEVGJSW-NDEPHWFRSA-N 486.660 5.219 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1831201913 BYPQJMUDOUGMIA-KLIIMXHUSA-N 489.591 5.043 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 1831374836 UPQYSOOIYIROEU-ZQRMPTRQSA-N 491.717 5.148 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1832610172 CRNZFOMHZJNVTN-VQKOGROQSA-N 485.049 5.382 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1832627306 BEQXRDFACZKIFC-RBISFHTESA-N 482.628 5.051 30 20 JKED Cc1cccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635797 SJVVTEBXYZGJGF-NLFFAJNJSA-N 461.581 5.308 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CCC1 1832786718 MLTLASSQKZGTAY-FQEVSTJZSA-N 466.384 5.060 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CC1 1838537963 RLJLIYQBQXREJJ-NRFANRHFSA-N 478.608 5.317 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccncc1-c1cccc(C)c1)C2)c1ccccc1 1844335496 MGXQQTICHXTXTB-AREMUKBSSA-N 477.608 5.071 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc4c(Cl)cccc4s2)C3)cc1C#N 1846876537 CWAFDLPUCGNLMJ-UHFFFAOYSA-N 494.016 5.344 30 20 JKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nc2cc(Cl)ccc2c1=O 10657579 JNUWYPHJKGHIRJ-GFCCVEGCSA-N 458.012 5.293 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1C 11272731 QEBVBAFGXHPDJZ-UHFFFAOYSA-N 453.951 5.184 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1ccccc1Br 11461456 QFCQVRWONOXDIB-UHFFFAOYSA-N 467.344 5.267 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)NCc2ccc(OC)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22692897 HDHSKASDMASMSR-UHFFFAOYSA-O 477.650 5.408 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)NCc1ccccc1 22730640 DWDPPIQAOAXXTG-UHFFFAOYSA-O 454.413 5.028 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)NCCc2ccccc2)cc1 22735277 HQTJNTJOQQIYFR-UHFFFAOYSA-O 458.072 5.758 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23603931 KIODPTJEOZJZIA-UHFFFAOYSA-O 472.581 5.869 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(Br)c2)cc1 23604641 YAZLSWILWZPXPJ-UHFFFAOYSA-O 457.417 5.295 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 26338120 KTVCUVACHYKZOE-HNNXBMFYSA-N 471.380 5.235 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)nnc1-c1ccco1 45643469 RZEIPVXYIWVPBC-HSZRJFAPSA-N 499.596 5.203 30 20 JKED CCCCCCCCCCCCCCCC(=O)C[C@@H](O)CCCCCCCCCCCCCCC 85914146 YICMKZPWMNXNFS-YTTGMZPUSA-N 494.889 11.269 30 20 JKED endogenous,in-man C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 109354854 QHACKQQTZMIEND-INIZCTEOSA-N 481.021 5.955 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 109858324 VIBLFERVFWJXEM-QGZVFWFLSA-N 474.374 5.047 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)nnc1-c1ccncc1 255929925 QAELFPRLQBROCA-UHFFFAOYSA-N 457.559 5.358 30 20 JKED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)CSCc1ccc(C#N)cc1 302972484 SMIXAUYHAFWKEO-IRXDYDNUSA-N 456.011 5.487 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 303273845 IDPNBDKSJICYMD-MRXNPFEDSA-N 451.621 5.175 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(C)nc1-c1ccccc1Cl 303372973 KNNKSUZOXGNYKW-UHFFFAOYSA-N 456.933 5.752 30 20 JKED COc1ccc2c(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)coc2c1 487385455 DIMAJOVIPQDVDC-UHFFFAOYSA-N 471.460 5.560 30 20 JKED COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)c2ccccc12 499433618 WZIKVQMGDHLOCO-IBGZPJMESA-N 455.558 5.140 30 20 JKED CCCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1Cl 501302234 BACOWCHUGDCFFH-KRWDZBQOSA-N 472.961 5.358 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cn(Cc4ccccc4)c4ccccc34)CC2)c1 502045116 DMSWQTZVFZLEPP-UHFFFAOYSA-N 462.553 5.052 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 508635358 YQPPVJOMAWVVSU-UHFFFAOYSA-N 469.566 5.149 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4cscn4)c(OC)c3)n2)cc1 512487894 AYEDUTMALLXXGN-LJQANCHMSA-N 477.567 5.353 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])n2)cc1 512499477 OTMNPHAORHSIQX-INIZCTEOSA-N 477.420 5.158 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3NC(=O)c3ccsc3)n2)cc1 512503899 MXFZGBANLHUICI-LJQANCHMSA-N 459.552 5.623 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)c(F)c1 512960459 BQCSYPZGJWSBRN-OAHLLOKOSA-N 460.962 5.263 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 514544170 BVIKUZSKVRNCGU-XMMPIXPASA-N 496.032 5.587 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2)n1 514575334 ZEKCVIAISJYMSX-QFIPXVFZSA-N 474.973 6.232 30 20 JKED CCc1cccc(Oc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cn2)c1 516118536 XSPBDJWYKCFZLZ-UHFFFAOYSA-N 483.528 5.411 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-n4nccc4-c4ccccc4)c3)n2)cc1 516349180 GMPYUQMBOQEMJK-DEOSSOPVSA-N 471.545 6.025 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(OCCCC#N)c3)ccc2C)cc1 516399559 FGEALVMSJCNVTF-UHFFFAOYSA-N 463.559 5.039 30 20 JKED COc1ccc2ccccc2c1CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 517077434 NSWXBUKEQZYFOI-UHFFFAOYSA-N 481.577 5.381 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 517122080 PRRPSLIOHVVYCG-SANMLTNESA-N 457.530 5.572 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O 519415409 MHTVJFIMCKKVRI-IBVKSMDESA-N 498.608 5.225 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)cc1 520019421 JHCVFUWCFVFQKA-UHFFFAOYSA-N 475.545 6.424 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)O[C@@H](C)C2 520787021 QFFUYQIDTUNRFR-BYGVMDBSSA-N 497.595 5.731 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(Cc2ccc(Cl)cc2)n1 520817684 IHJWGMUVWAPLDE-MRXNPFEDSA-N 488.103 6.511 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 521329999 ZIROZGVZUQYLHP-SFHVURJKSA-N 463.628 6.356 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)cc1 522482541 SDMJABHFNYGYHB-UHFFFAOYSA-N 475.932 6.225 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 522517612 IBKASQZXQGRZRC-UHFFFAOYSA-N 488.382 5.173 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1 552064957 KDGRIDPYGGVIAT-UHFFFAOYSA-N 477.589 6.033 30 20 JKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)c2)C1 553625466 KECCLMYQTJSADW-GBXCKJPGSA-N 486.620 5.176 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 589552930 OFUUREOXGGFPHI-UHFFFAOYSA-N 455.308 5.502 30 20 JKED CCOc1ccc(-n2c(SCCC(=O)Nc3ccccc3C#N)nnc2-c2cccc(OC)c2)cc1 589942261 PNTYBZJZEKDEDV-UHFFFAOYSA-N 499.596 5.334 30 20 JKED Cc1c(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1OCC(F)(F)F 590144480 HETCWADHRGGGGG-QWRGUYRKSA-N 466.344 5.967 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1nc2cc(F)ccc2s1 593595401 VQADZOAYGDIRTM-JTQLQIEISA-N 465.819 5.178 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 603836244 LITAPZAUNMRICJ-NRFANRHFSA-N 496.995 5.124 30 20 JKED Cc1c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)sc2nc3n(c(=O)c12)CCCCC3 603996103 JNQJWLHWOAMYCJ-UHFFFAOYSA-N 466.632 5.337 30 20 JKED CC(C)N(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(Br)cn1 603998598 JFSPBFNXNZDSSD-UHFFFAOYSA-N 450.336 5.350 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(Cl)cc1 604139766 XJDNKGHPECNMDQ-DEOSSOPVSA-N 461.949 5.191 30 20 JKED CCC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C(=O)Nc1cccc(N2CCCC2)c1 608785119 WVZUMBPJOAKBEK-RUZDIDTESA-N 498.587 5.275 30 20 JKED CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 608951629 QBKOQXHDBOJMRA-UHFFFAOYSA-N 490.611 5.076 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)CCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 609060421 ARRHUCOQRLCUFW-UHFFFAOYSA-N 498.030 5.327 30 20 JKED CCc1cccc2c(C3CCN(C(=O)c4ccc(COc5ccc(C#N)cc5)o4)CC3)c[nH]c12 609071723 VMSZFLOSALQLTQ-UHFFFAOYSA-N 453.542 5.794 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)cn2)c1 609326851 PPAOGKTUIVYPRU-UHFFFAOYSA-N 451.364 5.067 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)cc1 609413562 ZTSYLGKBGJURNP-UHFFFAOYSA-N 469.372 5.627 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4cc(C)oc4C)nc4onc(C)c34)n2)cc1 613314324 KGEQERNQYFKLBJ-HXUWFJFHSA-N 468.538 6.330 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C 613427628 VFDMQELDOMEMLP-ROUUACIJSA-N 471.026 5.363 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618538856 DNVZFFNTKSOBGM-AOOOYVTPSA-N 476.261 6.319 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc2c1OCCO2 642281840 SXBJADPXADONFO-AWEZNQCLSA-N 461.326 5.387 30 20 JKED Cc1nc(CSc2ccc(C(=O)OCCOc3c(C#N)cnc4ccccc34)cc2)cs1 726363118 SLOFZRKTIRVPQF-UHFFFAOYSA-N 461.568 5.400 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(F)c(Cl)c1 726402684 XBBZKYBPSXUROO-QRWLVFNGSA-N 477.989 5.173 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)cc1Cl 726409419 SBQBZIZHTUBQRU-HXUWFJFHSA-N 498.992 5.573 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 726413513 TZKLREGYLRIPTO-NTKDMRAZSA-N 468.582 5.093 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@H](C)c1cccs1 726421708 OTGXODURJVLQKG-SPXBZFAHSA-N 499.580 5.193 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=S)Nc1ccc(C#N)c(Cl)c1)CC2 726442199 WAYITNHMFSQXQS-QFIPXVFZSA-N 470.019 5.635 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C(C)(C)C)cc2)c1 726571319 SHXJLTIDNIEODV-UHFFFAOYSA-O 463.026 6.428 30 20 JKED N#C[C@H](C(=O)CCCCCc1ccc(I)cc1)c1nc2ccccc2[nH]1 726858950 RJIKSTJRFSONNT-QGZVFWFLSA-N 457.315 5.147 30 20 JKED CCOc1ccc(OCC)c(N/C(S)=C(/C(O)=C2C=CC(=NC(C)=O)C=C2)[n+]2cccc(C)c2)c1 726964026 QZKCQCSTJPNDKO-UHFFFAOYSA-O 492.621 5.174 30 20 JKED Clc1ccc(-c2nnc(CON=Cc3cccc(OCc4ccncc4)c3)o2)c(Cl)c1 727435634 UTQRGTHLFWUXMD-UHFFFAOYSA-N 455.301 5.568 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)Nc1sc2c(c1C#N)CCC2 727563476 MEHITDHWTHLLKX-LLVKDONJSA-N 457.964 5.069 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2sc(-c3ccccc3)nc2C)cs1)c1ccc(F)cc1F 727780887 WAPVTRLEDZMAIR-LUAWRHEFSA-N 481.549 6.434 30 20 JKED CS(=O)(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccc1Cl 727999382 NZLJBDLIASAOOH-UHFFFAOYSA-N 475.353 5.100 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(C)n1-c1ccc(C#N)cc1 728272669 FAOWRGWQPILTLC-RUZDIDTESA-N 472.976 5.207 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccco1 730520803 PSZWOVWHAZKWGZ-QFIPXVFZSA-N 463.559 5.011 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H]2CCc3c(Cl)cccc32)c1 730711956 JQAOOQRRDOPYRH-RTWAWAEBSA-N 492.004 5.086 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cocn2)c(Cl)c1 730719798 DIQSEIYLHMAJCS-IBGZPJMESA-N 486.956 5.244 30 20 JKED CC(=O)c1ccc(OC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)c(F)c1 730752607 JTUTYZFEWHPRJV-UHFFFAOYSA-N 495.738 5.519 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)cc1 747603331 SUVUBNAGPIDYQI-NRFANRHFSA-N 482.606 5.566 30 20 JKED Cc1nsc(N(C)C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1C#N 748234959 JLSKMSLNSQDXDE-UHFFFAOYSA-N 463.360 5.578 30 20 JKED Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)n1[C@@H](C)c1ccccc1 749225995 DLYJMKPMWJBIJU-FQEVSTJZSA-N 454.574 5.077 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)CCc2ccco2)C1=O 837739154 AXZXJPATDCAJLG-SBUREZEXSA-N 495.576 5.409 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CC(F)(F)F 838487444 YUVZVVDAEKHFSY-QGZVFWFLSA-N 485.915 5.180 30 20 JKED Cc1cc(-c2nc(C)c(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)ccc1F 883978790 VLRYGVMUCPHRKJ-CHWSQXEVSA-N 454.411 5.769 30 20 JKED C=CCn1c(Sc2ccc(C(F)(F)F)c(Cl)n2)nnc1[C@H]1COc2ccccc2O1 913409136 VBTAJWBJKMVPAY-CQSZACIVSA-N 454.861 5.195 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1sccc1C 914557605 QXUXREKJKOHSNZ-FQEVSTJZSA-N 483.590 5.365 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)Cc2ccco2)c1 914690606 AGXHYRINGXVQDD-OYHNWAKOSA-N 499.539 5.158 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](C)Cc2ccco2)C1=O 914694637 QBNOCSBDPPCMDL-KSFYIVLOSA-N 498.004 5.533 30 20 JKED CN(Cc1ccc(C#N)cc1)Cc1c(O)ccc2ccc(O)c(CN(C)Cc3ccc(C#N)cc3)c12 914783158 IBBBCSNZGRZJPR-UHFFFAOYSA-N 476.580 5.258 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2nc(C(C)C)no2)ccc1Cl 914899179 YQIJPZDXKUSPIQ-INIZCTEOSA-N 489.981 5.146 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 915101325 HCWYKOZQLBDYLF-HNAYVOBHSA-N 470.019 5.709 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 915351956 DPMZIWRQJNWACS-DEOSSOPVSA-N 464.491 5.715 30 20 JKED CCOc1ccc([C@H](CNC(=O)Nc2cccc(OCC#N)c2)c2c[nH]c3ccccc23)cc1OC 915710606 QOMJCGNNKYEBQX-QHCPKHFHSA-N 484.556 5.431 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 915728902 GALUBHMAZMFJMS-KAYWLYCHSA-N 479.967 5.840 30 20 JKED COc1ccc(/C=C2/CC/C(=C\c3ccc(OC)c(OC(F)F)c3)C2=O)cc1OC(F)F 916135353 UMPUINQBBKMGNK-CKOAPEAFSA-N 452.400 5.737 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1Cl 916211143 KMJGORHJAGZDFW-GOSISDBHSA-N 492.359 5.886 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(s1)-c1ccccc1OC2 916884439 XMUDQYJKFRXIFZ-INIZCTEOSA-N 456.495 5.583 30 20 JKED C/C=C/c1ccc(OCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1 916907621 ZHXAZGHMDWQJAI-IMRRZOKOSA-N 456.498 5.247 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 916915152 FAHYAGLFRVGMSF-QHCPKHFHSA-N 484.939 6.042 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 916923407 OAKLQIDJHLBOAH-QHCPKHFHSA-N 481.552 5.522 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 916952947 PDEBTNJNWSGYGJ-OAQYLSRUSA-N 482.323 5.215 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cc1 916953945 FKSLIMHIEQUJCB-WZONZLPQSA-N 475.618 5.344 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)nc(O)c2c1C 917043354 HRLJKXCIXJOTJK-WCQYABFASA-N 489.047 5.775 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2cc(Cl)ccc2s1 917046216 HVBYVMLGKJZESJ-AZUAARDMSA-N 494.403 6.341 30 20 JKED C=CCNC(=S)/C(=C(/O)c1ccc(NC(C)=O)c(SC)c1)[n+]1ccc(Cc2ccccc2)cc1 917606776 CPCLPJWNJYYAIX-UHFFFAOYSA-O 490.674 5.232 30 20 JKED CCCOc1ccc(CN2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(SC(F)F)cc2)cc1 917653606 WMMIOAQQZPMPFI-IBGZPJMESA-N 493.601 5.058 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2F)n1 917662925 GMXOAQXRYJEAQY-XMMPIXPASA-N 499.571 5.238 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(Cl)c2C)n1 917665290 BIECCRIPABPVFO-NRFANRHFSA-N 497.983 5.046 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 918487493 UXPUTTFCHASYAZ-HNAYVOBHSA-N 472.010 5.115 30 20 JKED CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 918625757 APVLAPHKYXJPPB-UHFFFAOYSA-N 457.490 5.142 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3cnco3)cc2)c1 918627253 HWRYMNHLYASJHB-UHFFFAOYSA-N 493.972 5.629 30 20 JKED C=CCOc1ccc(/C=C/C(=O)OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1OC 918820658 FDWZTGKBVPDNDB-LNMUWQJVSA-N 489.593 5.052 30 20 JKED C[C@H](OC(=O)c1nc(-c2ccccc2)cs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919122943 QAWGXSVUUUYJGA-AWEZNQCLSA-N 451.573 5.196 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 919666795 NRSJXOYWTIBPQZ-SFHVURJKSA-N 499.350 5.551 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 920108191 BWOOOCWQBCDMAO-QRWLVFNGSA-N 467.978 5.527 30 20 JKED COc1cc(C=NOCc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OC(F)F 920257038 PKEJVTCCOPYZPP-UHFFFAOYSA-N 458.408 5.990 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(Br)cc3F)CCC2)cc1 1785936860 ZAOQUMPXKUTBNP-UHFFFAOYSA-N 476.321 5.025 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3nccc(Cl)c3OC)CCC2)cc1 1786103304 PIWJFEXJVJLRKD-UHFFFAOYSA-N 453.970 5.260 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3COc4ccccc4O3)cc2)CCC1 1786308532 IPVSPDJKQRFMJJ-QHCPKHFHSA-N 460.574 5.119 30 20 JKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787889043 CBJJDNWMVUPVPP-UHFFFAOYSA-N 462.550 5.085 30 20 JKED CNc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cc1 1788003204 RKIWTPYLDATSNZ-UHFFFAOYSA-N 482.584 5.449 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCC4CCC4)CCC3)cc2)c(C(F)(F)F)n1 1788356408 JZKTZHIZCUICMM-UHFFFAOYSA-N 470.495 5.300 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(C)c3)cc2)CCC1 1788362798 YOCHOWOYGUZNAN-NRFANRHFSA-N 484.600 5.606 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4n[nH]cc34)cc2)CCC1 1788381409 DWLZPUCJNYRZBO-UHFFFAOYSA-N 463.969 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1788579319 VPJPVQFNQUWPIL-PKTZIBPZSA-N 481.637 5.192 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)cc3)CCC2)c1 1789531441 DWNDEGCDMDRGGH-SDHOMARFSA-N 465.578 5.194 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4nnc(-c5ccccc5)o4)cc3)CCC2)c(Cl)c1 1789566489 BOTBCBFVSOHCBR-UHFFFAOYSA-N 497.942 5.323 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3[nH]nc4c(Cl)cccc34)cc2)CCC1 1790371793 YDNRLYLOYPNYIX-INIZCTEOSA-N 450.970 5.105 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5ccsc5[nH]4)CCC3)cc2)c(C#N)c1 1790474573 LSVVUEHPHPYELT-UHFFFAOYSA-N 484.581 5.100 30 20 JKED COc1cc2c(O)cccc2cc1C(=O)NC1(c2ccc(NC(=O)[C@H](C)ON=C(C)C)cc2)CCC1 1790568065 QXAYXMQDNSWQEM-SFHVURJKSA-N 489.572 5.103 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791253718 GIDUBJQULLQWGS-PJPYIVHJSA-N 495.664 5.272 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)CCC2)cc1 1791573204 AFHDGHNGKXNDFL-CQSZACIVSA-N 488.535 5.162 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CCC2)cc1 1791586030 MWDVTHYSJDBYKH-QFIPXVFZSA-N 483.653 5.254 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CCC2)cc1 1791732060 RQSUQIONLGEFFH-QFIPXVFZSA-N 469.626 5.008 30 20 JKED COc1ccc(F)cc1CC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792126828 MRDCMZADIHNUSE-LJQANCHMSA-N 485.559 5.452 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205298 VBNKECJTQNVKPO-QHCPKHFHSA-N 495.620 5.206 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)C3(C)CCC(NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1792267808 YAWVALRVMDRJKI-UHFFFAOYSA-N 481.637 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)c1 1792378124 LNZXNHYUIYZDMJ-XRHLQHRESA-N 463.528 5.807 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1c(Cl)cc(Cl)cc1Cl 1792867383 CHJIWDSSNXYAFX-BJWYYQGGSA-N 487.855 5.656 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(-c3ccccc3)noc1C)C2)c1ccccc1 1798555290 SGLUKGNQSXXNFB-QYOOZWMWSA-N 481.596 5.099 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CC1)C2 1800175858 SVSHQCYUURJVPR-BJESRGMDSA-N 477.690 5.069 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2C(C)(C)C)[C@H]1c1cccnc1 1802503695 RUPRSSCDYXKHAR-GGAORHGYSA-N 462.638 5.086 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1802503764 UERPNHFKNGWJIQ-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1803091963 HEPRRTVOBWIYMU-WZONZLPQSA-N 490.406 5.616 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)CCc4ccc(C#N)cc4)C3)CC2)CC1 1804762051 ALNHAGPAKLPODT-OJBMAJLDSA-N 463.666 5.329 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810491657 GEOMOHVOZOPBLY-HVFVVBAHSA-N 499.577 5.812 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810493007 SZBJVVYUHUPVIT-APTRMMRNSA-N 468.041 5.537 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(OC)cc3)CCC2)[C@H]1c1cccnc1 1810505098 MQIJXFYRXQXZHQ-BVAGGSTKSA-N 489.660 5.210 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1812259651 YBURDYCVBJLNBG-LVXARBLLSA-N 489.019 5.371 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1812756716 QJSYJMBVZLJHRY-FPDDQMOCSA-N 487.003 5.038 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1813226829 AOWHITVVUCIWMU-LVXARBLLSA-N 484.625 5.062 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c1 1813836686 FHIJFSUIYZUCTD-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccnc1 1813896515 CJJPKZLKPKWVDX-NFBKMPQASA-N 470.013 5.056 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1813963061 KKFDHKRZNHTSDV-CVDCTZTESA-N 489.513 5.328 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)[nH]n1 1814441433 JDFCMEDEPLKWSF-OAHLLOKOSA-N 469.533 5.183 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1815215086 DSJYOQATRDULCO-HYBUGGRVSA-N 497.599 5.226 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(F)cc3F)n[nH]2)c1 1815522322 NNIZHCMZDRCFSS-FMBGBVEOSA-N 489.526 5.334 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)nc4ccccc34)[nH]n2)CC1 1817109869 ROMUESCXLOBICL-VWLOTQADSA-N 490.567 5.235 30 20 JKED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 1817406888 GLUTWCZJCBFWBA-INIZCTEOSA-N 488.034 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5ccccc5o4)sc3C2)c1 1818328638 HJNGGVIPTGLBRG-DNVCBOLYSA-N 470.554 5.056 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(Br)nc2C)n[nH]1 1818414886 GZOKWMMSKJTXKK-INIZCTEOSA-N 492.443 5.011 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4ncccc4c3)n[nH]2)c1 1818480074 TXXVOUYLUZBNNY-AVRWGWEMSA-N 478.556 5.205 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)[nH]n1 1819309547 WIHFBXZHRNUTRL-WMZHIEFXSA-N 468.573 5.410 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2cccnc2)[nH]n1)c1ccccc1 1819521402 PUESPXZFYVEFGJ-AOYPEHQESA-N 483.616 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)[nH]n1 1819557668 RWWGSTAJJQNKFM-ICSRJNTNSA-N 489.661 5.088 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc(-c4ccccc4)s3)n[nH]2)cc1 1819931326 FPQOCTNFLYPKKK-JOCHJYFZSA-N 496.596 5.219 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)[nH]n2)c1 1820482676 BKPQQRFYRNLXEI-XMMPIXPASA-N 482.519 5.035 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)cc1 1821183035 NQLSBQFRZLSTDB-LJQANCHMSA-N 483.906 5.027 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)n[nH]1 1821286775 FNLGWJZFZIRYCC-IERDGZPVSA-N 499.587 5.414 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1821987372 ROXCBPUJWPMJNZ-HXUWFJFHSA-N 483.494 5.128 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)n[nH]1)c1ccc(O)cc1 1822326166 OACFSJMGSLHYJK-CFJXPYFLSA-N 496.611 5.108 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)[nH]n2)c1 1823212897 YQZJKWYUOZSMOS-DSIXUQOLSA-N 485.510 5.075 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823217102 PSCVQXHQNCTZOH-YADARESESA-N 485.588 5.282 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)[nH]n2)cc1C#N 1823294490 ONABDRXZNMGOLG-NLFFAJNJSA-N 499.615 5.568 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n[nH]1 1823295320 GBIOWYGSHZXIBQ-ACJLOTCBSA-N 452.452 5.086 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1cc(F)ccc1C(F)(F)F 1823301936 SGBNVXBTCDAXKX-HNNXBMFYSA-N 480.384 5.216 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(C)ccc23)n[nH]1 1823565399 HYRUPUFJBLEUQS-DJGBTNNQSA-N 467.520 5.116 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1824050922 NNDJYAJQRKGWIT-HHHXNRCGSA-N 493.598 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1824144948 NVYPKUOUZWLPNU-DEOSSOPVSA-N 491.598 5.421 30 20 JKED Cc1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1824677739 ABEXGFGOZCFJJP-NRFANRHFSA-N 456.011 5.129 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)CC2 1825257581 QAEYQZGMNBGXJT-OAHLLOKOSA-N 496.539 5.322 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1)c1cccs1 1827683855 LXTUGDMOUUEXFN-UVIRAJKCSA-N 476.598 5.167 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828216065 AKQUYDGQTCVTEN-QHCPKHFHSA-N 466.622 5.673 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1828823334 RLOYBQLBYYNVQH-CTNGQTDRSA-N 466.544 5.609 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nn(C)cc3c2)CC1)c1ccccc1 1829034617 AVTKRMVQBDNEME-LMSSTIIKSA-N 496.655 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 1829071971 SUQMGMKGARZERR-JOCHJYFZSA-N 461.046 5.574 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)CC1 1829674497 NFXTVWUSGVOMIA-XMMPIXPASA-N 489.582 5.900 30 20 JKED COc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)S)CC2)cc2ccccc2c1Cl 1829707764 MUOHXRMDLOTETR-HRAATJIYSA-N 475.054 5.053 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830529640 NPVXCMKHEDUXLA-WOJBJXKFSA-N 474.564 5.032 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830745428 KXOCPMBJYRTFNI-MUUNZHRXSA-N 469.629 5.302 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)c(Cl)c1 1830764921 ADMQLZPZSFYKBK-SANMLTNESA-N 494.035 5.005 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830829751 GAYLIPVWTCQRLF-VWLOTQADSA-N 466.025 5.315 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 1831442178 ONZQLEJJJYMMDM-LJQANCHMSA-N 487.360 5.033 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F 1831453411 UWICYZSBCYKMPG-SFHVURJKSA-N 463.327 5.345 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1831510488 ULUPJMHRDBEXRM-FNZWTVRRSA-N 461.581 5.124 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1832633092 CBUONAHGARYFBF-KBMIEXCESA-N 495.570 5.462 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c1 1832633167 DLYKERZDRJIYIO-HTAPYJJXSA-N 470.038 5.576 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CC2(CCCN2C(=O)c2cccc3c2oc2ccccc23)C1 1845735282 PRQCQADAXASFNS-UHFFFAOYSA-N 468.940 5.108 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1ccc2c(c1)OCCO2 10171009 NXMVGXJRZAGBJD-UHFFFAOYSA-O 499.568 5.294 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172851 JGHMPTRDPYCSNY-UHFFFAOYSA-O 469.577 6.312 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(C)(C)C)cc1 10174288 BSIJUDUJBUTCIZ-UHFFFAOYSA-O 453.578 6.163 30 20 JKED CCOc1ccc(-n2c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccc(Cl)cc2)cc1 10263667 TVRVWBAYBRSLHS-DEOSSOPVSA-N 484.025 5.133 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10753933 SBHUSMYHPMUHGX-UHFFFAOYSA-O 476.424 6.768 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Br)c2)c1 11084767 ZDTANZJMZKJWON-UHFFFAOYSA-O 462.339 5.374 30 20 JKED N#CCCN(C(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1)c1cccc(Cl)c1 17758674 IAWGOZSVFOPRGD-UHFFFAOYSA-N 494.045 5.612 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C 20044896 AMUDVBBDHWJJEV-UHFFFAOYSA-N 473.627 5.647 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2C2CCCCC2)cc1 21682464 POMQKQRGVBILRM-FQEVSTJZSA-N 489.645 5.886 30 20 JKED C[C@@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)N(CCC#N)c1ccccc1 22079734 LSRMKFNBMJIDAU-MRXNPFEDSA-N 455.381 5.062 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cc(C)cc(C)c2)cc1 22730210 MXWPPFWDNWKIFO-UHFFFAOYSA-O 467.605 6.824 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(C(CC)CC)cc2)cc1 22730393 DUHVTWOKSJDFPK-UHFFFAOYSA-O 482.069 6.981 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23603845 UHQFUSSGTLRPAX-UHFFFAOYSA-O 498.672 7.060 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 24382191 DLKCHQJLQVJICD-VWLOTQADSA-N 466.516 5.170 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)N(CCC#N)c1ccc(F)cc1 31702239 KEEYLUCNBSSODP-CYBMUJFWSA-N 475.343 5.066 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cs1 32289631 KYZRCMUERKYOBP-UHFFFAOYSA-N 455.539 5.734 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 32376634 HOXMNHMQZQMINU-HSZRJFAPSA-N 478.017 5.166 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 104471571 WTOVLHWRTHDSRM-UHFFFAOYSA-N 473.554 5.492 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc12 195662354 QUSKCTFFIOVIEX-GOSISDBHSA-N 490.013 6.117 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 303100252 HHTDYWSHBALFRR-UHFFFAOYSA-N 475.608 5.481 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 303373069 TUYKJVXSJSIVNB-IBGZPJMESA-N 469.610 6.809 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)c2)cc1 409780521 UXAXQPLIOLKUMY-RPLLCQBOSA-N 455.558 5.621 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](CN2CCCCCC2)C1 491512340 BOSSGQHPFZXHHK-RUZDIDTESA-N 460.622 5.566 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)s2)cc1 491558905 WKJAIUSJDMIFHG-UHFFFAOYSA-N 484.606 5.971 30 20 JKED O=C(C[S@@](=O)Cc1ccc(F)cc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 501196143 QPDBUPMFHNBUCA-LJAQVGFWSA-N 461.786 5.404 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2[C@H](C)c2ccccc2)c1C 501547152 SDABAYYBTFMQPW-JOCHJYFZSA-N 496.636 5.662 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1 508271722 DRWLJFYJLGXOFU-UHFFFAOYSA-N 457.465 5.006 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 509721767 NXTCBQYWSNPOSO-SFHVURJKSA-N 453.546 5.026 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1cccc(C)c1 510513273 RIUKBVPZGWVKJJ-HXUWFJFHSA-N 474.552 6.214 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2)cs1 511034794 VDNGDMGIKGOIOI-GFCCVEGCSA-N 451.495 5.049 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 512856269 MEFNFAQWWHPONT-HOFKKMOUSA-N 453.542 5.076 30 20 JKED CN(C(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1)c1ccccc1 513994062 IMDWFBGTANUFAT-UHFFFAOYSA-N 492.554 6.208 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516014737 ZODOUAFTGXECHQ-JTSKRJEESA-N 471.944 5.900 30 20 JKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516411769 DVPJRIFAEBHXID-BTYIYWSLSA-N 467.903 5.432 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 516615322 KDNGKQPSYJMWTA-UHFFFAOYSA-N 473.941 6.570 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc(-c2ccncc2)cs1 517892362 UUXOEDHRHALNLB-JOCHJYFZSA-N 451.507 6.020 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)n1 517916176 IFSDKLGTBOBPNU-NRFANRHFSA-N 484.581 5.339 30 20 JKED COc1ccc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC(F)F 518024795 BTIUTCGUJUQSSO-UHFFFAOYSA-N 468.525 5.733 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 518683512 WRPOBXGEJQYTJW-FUHWJXTLSA-N 482.009 6.053 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(Br)c1 519433109 RHMXZXSXNIYBBU-UHFFFAOYSA-N 459.287 5.491 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 520924499 ZDOLFCDDBXLSJB-SFHVURJKSA-N 450.585 5.307 30 20 JKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 556185771 NEFGDKQHDSUZET-CQSZACIVSA-N 476.297 5.286 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)s2)cc1 589195994 CFUDMBKJJRZTKT-DLBZAZTESA-N 460.506 5.463 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(N3CCCC3)n2-c2ccccc2Cl)sc2c1CCC2 589943777 ACGOYMSBSAUDSY-UHFFFAOYSA-N 499.065 5.064 30 20 JKED C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)Nc1ccc(CC#N)cc1 603650743 KOUQOWVZKLDGFC-VGSWGCGISA-N 454.961 6.628 30 20 JKED CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604485415 BSBSBVWQOFAFIA-UHFFFAOYSA-N 483.494 5.360 30 20 JKED COc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604488544 VFYVFSYSYCWMKE-OAQYLSRUSA-N 475.976 5.037 30 20 JKED COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609061966 NKWSZUUQXYCKSM-UHFFFAOYSA-N 499.596 5.074 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 609068642 QVXAWVRJYFLEHN-UHFFFAOYSA-N 471.460 5.137 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(I)c(F)c1 609149443 UGOLJYUEYCOZQR-RKDXNWHRSA-N 483.165 5.070 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)cn2)c1 609206924 YHWHIUSQZOUOHJ-UHFFFAOYSA-N 466.501 5.207 30 20 JKED N#Cc1c(CCCNC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)nn(-c2ccccc2)c1N 609429394 KTRPRWCQYWRXTH-UHFFFAOYSA-N 488.551 5.011 30 20 JKED Fc1ccc(-c2cn3nc(NC4C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C4)sc3n2)cc1 613437764 JHANXJBNVQJSOG-GHMZBOCLSA-N 452.399 5.918 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccc(OC)cc1 677844394 MSERQSMPLPGFGG-XMMPIXPASA-N 470.598 5.290 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2cccs2)C1=O 726109089 NNHPSEDTOXNSFX-LQUAGZSJSA-N 499.061 5.176 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 726295029 GXULMGQLCVDDSO-UHFFFAOYSA-N 494.551 5.185 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1oc2ccccc2c1CSc1ncccn1 726321708 OGSZNFUOWNBOQA-QGZVFWFLSA-N 497.363 5.783 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cscn2)c1 726407314 MLGKMRBICNZTSL-FQEVSTJZSA-N 498.992 5.077 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCOC(C)(C)C)c1cccs1 726418217 ASLSLFYASSRUJZ-JMDMOJCNSA-N 477.627 5.092 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N([C@H](C)c2cccnc2)C1=O 726421437 NAEDDTXJKYHMCK-RIRGSEAUSA-N 494.642 5.303 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(NS(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1 726427627 RCIFHWNKXCTFHI-ACAGNQJTSA-N 471.962 5.195 30 20 JKED COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1NC(C)=O 726429875 WFWRLKUFIVLLFA-KTKRTIGZSA-N 458.345 5.410 30 20 JKED C#Cc1cccc(N(CC(=O)NC)C(=O)c2oc3ccccc3c2COc2ccccc2Cl)c1 726505301 WXGHEHYOCAYYKT-UHFFFAOYSA-N 472.928 5.039 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)N=C1C 726571640 ZVMDEAVUHSUBNU-UHFFFAOYSA-O 465.986 5.125 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccccc2)c1 726572951 RPSKLZFQPWVFSL-UHFFFAOYSA-O 456.591 5.075 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccncc3)SC2=S)cc1Cl 726626523 HXYIXKRLJAHVPO-NHDPSOOVSA-N 463.971 5.591 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O)Nc1cc(Cl)cc(Cl)c1 726716951 VIZVFRVDHCNVCN-CQSZACIVSA-N 462.280 5.260 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)c(Cl)c2)cn1 726893769 ZTJSGGIDIXAHBW-FQEVSTJZSA-N 498.967 5.043 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3cccc(C)c3)cc2)cs1 727655644 ZFTFKHJCMKEMLP-GDNBJRDFSA-N 486.568 6.750 30 20 JKED O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3nc(-c4ccccc4)cs3)cc2)cc1 727973989 FFZKIGHQDCFDOF-CCEZHUSRSA-N 490.562 5.205 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728775783 CEGSNMWDHYDPAN-JOCHJYFZSA-N 493.589 5.174 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2ccccc2c1 728780747 YCXFXIUVLKLKLE-HSZRJFAPSA-N 474.561 5.633 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1c(C)cccc1C 729630959 IBWZDMDFEADGTO-QFIPXVFZSA-N 458.587 5.167 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 729669277 UZEUJYITXIFPDF-UHFFFAOYSA-O 499.612 5.612 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2F)c1 729818647 BYIVQLXOUINVNV-HSZRJFAPSA-N 490.535 5.305 30 20 JKED O=C1/C(=C/c2ccc3ncccc3c2)CN(c2ccccn2)C/C1=C\c1ccc2ncccc2c1 730433075 BEYZDRSWYBZZSG-RPCRKUJJSA-N 454.533 5.734 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccnn2C(C)(C)C)ccc1Cl 730482452 CRNVAZFGSZSELS-UHFFFAOYSA-N 490.988 5.064 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1F 730534996 NBOQOWRHAFHPPI-FQEVSTJZSA-N 455.486 5.027 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3cccnc3)C2=O)c1 730943933 NSAHHABQNGRWOD-AOMKIAJQSA-N 495.004 5.465 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 730996157 VZAAFHDPYYWOTL-FQEVSTJZSA-N 461.509 5.186 30 20 JKED COCc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)sc2cccc(F)c12 731069272 IQIXFBMWRCMEBZ-CQSZACIVSA-N 472.563 5.234 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cl)cc2)C1=O)Nc1cccc(O)c1 731305416 BYWSHNNRKXNICN-OAQYLSRUSA-N 465.962 5.206 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2Cl)cc1 731307895 VZLCCHKEASNEIL-QFIPXVFZSA-N 490.972 5.078 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N([C@@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731310973 UHIIGAQMWAADDY-DHIUTWEWSA-N 493.535 5.318 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c1 743526818 WXQVKRVMUIYPFA-QFIPXVFZSA-N 498.530 5.010 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2oc(C(C)(C)C)nc2C#N)cs1 746498117 IPPMKLCXTDTEDY-UHFFFAOYSA-N 476.484 5.450 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 747112431 VUKQAUZIIBAYGN-INIZCTEOSA-N 499.206 6.314 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2sccc2C#N)cs1 748100188 VTMNWXVSDYOOOP-UHFFFAOYSA-N 452.344 5.425 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCO[C@@H](c3cccc(Br)c3)C2)c1=S 748795151 BDVMNMKOQSBKPP-HXUWFJFHSA-N 489.414 5.200 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(F)c(C)cc2F)cc1 753974244 MSBUDFXIMVXFEC-UHFFFAOYSA-O 450.534 5.708 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(OC)c2)N(CC(F)(F)F)C1=O 799215340 MHNAOXSWVRTMKA-IBGZPJMESA-N 495.523 5.007 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 809737072 BIQNVOXRAAQFEE-UHFFFAOYSA-N 461.547 5.158 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 837639235 PFNGMZSDGQYNNM-JPYJTQIMSA-N 476.577 5.559 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)c2ccccn2)C1=O 837744674 SUEGDNKJHOJBLE-ZHRRBRCNSA-N 496.995 5.904 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837836909 MQZBHYGEHMZBFJ-AUSIDOKSSA-N 458.587 5.420 30 20 JKED C=CCn1c(SCc2nc(Cc3ccncc3)no2)nnc1-c1ccc(Cl)cc1Cl 904932984 GWKUUNOWJVETAQ-UHFFFAOYSA-N 459.362 5.099 30 20 JKED COc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)ccc1OCc1ccncc1 912788795 NKKMHMFQAAXNGF-UHFFFAOYSA-N 481.581 5.176 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)Cc2cccs2)c1 914690629 ASPADIOGXYHYOJ-VGSWGCGISA-N 479.627 5.348 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ccccc2OCc2ccncc2)cc1 914692279 OVHUGMFODUXKAJ-UHFFFAOYSA-N 473.602 5.300 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cs2)cc1 915085093 GABSVFMZFVRFBS-RUZDIDTESA-N 453.567 6.045 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 915353683 QDRNTHPOBOCOMI-DEOSSOPVSA-N 493.394 5.639 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(F)F 915353840 QSAHGOWKAHXVSN-JOCHJYFZSA-N 465.500 6.006 30 20 JKED C(=NNCc1cccc2cccnc12)c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 915963310 SBHHKYGMJDUANB-UHFFFAOYSA-N 489.579 5.432 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1F 916217499 OKFRBKWVUXIBOU-FDDCHVKYSA-N 477.561 5.118 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2c(F)c(F)nc(F)c2F)cc1OC 916542710 WGCAZSAUGYJRBN-UHFFFAOYSA-N 485.441 5.013 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CSc1cc(Cl)ccc1Cl 916902869 LHMBPEWXYHDPLR-LBPRGKRZSA-N 457.766 5.404 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(Br)ccc1F)C(=O)Nc1ccccc1Oc1ccccc1 916905067 LRZKXLCQPZOTTO-YFPIXMDGSA-N 479.305 5.741 30 20 JKED N#C[C@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)C(=O)Nc1ccccc1Oc1ccccc1 916907754 WZXMSGLKJFEVGO-JOCHJYFZSA-N 495.491 5.051 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(N)=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997104 QXBDGPVDRXQFRG-RDJZCZTQSA-N 459.358 5.093 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)cs1 917560647 UHTBHJCDJHXJHI-GXDHUFHOSA-N 465.937 6.314 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccccc21 919296251 JVXACLOQPQNRAZ-UHFFFAOYSA-N 469.246 5.920 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)c(Cl)c2)no1 920356318 SBRIVYKRSQKWOH-LJQANCHMSA-N 490.919 5.075 30 20 JKED C=CCOc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 920804119 LKKCWCSPTROKMF-DZFYGRHCSA-N 452.482 5.551 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806659 NBBQDXIKRAMTCG-OAHLLOKOSA-N 453.470 5.004 30 20 JKED C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806785 PTDMHSSNRORFRQ-GHMZBOCLSA-N 453.297 6.039 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1478417390 UDSKICJZPXPVDC-GOSISDBHSA-N 451.530 5.167 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@H]2C1 1784172656 XRWCAWBASCMKNI-WLQCWRCUSA-N 499.095 5.362 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)n4ccccc34)CCC2)cc1 1786360773 MFCTTWIJIUDHQI-JOCHJYFZSA-N 491.591 5.392 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)cc3F)CCC2)cc1 1786679132 GZUJRDBACVNWIL-UHFFFAOYSA-N 456.583 5.280 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)cc1 1787880708 HDFCDDASDAYXNY-UHFFFAOYSA-N 452.558 5.146 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)cc2)CCC1 1788376083 PMCRJUVSULXIAW-OAHLLOKOSA-N 467.541 5.093 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4c3OC(C)(C)C4)cc2)CCC1)C(F)(F)F 1788498439 JFOQOBMUDBQNQM-UHFFFAOYSA-N 458.480 5.266 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cc2)CCC1 1789224610 OFCXGSHJNACAHM-INIZCTEOSA-N 496.405 5.269 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(C#N)cc5)CCC4)cc3)cc2c1 1789238077 ALJIHLOBRMJEAB-UHFFFAOYSA-N 479.536 5.303 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)cc2c1 1789239840 FSVROOXXTUFZKV-UHFFFAOYSA-N 495.535 5.140 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)(F)F)nc4ccccc34)cc2)CCC1 1789369979 UQGFLFXXNFJQMZ-QGZVFWFLSA-N 495.501 5.040 30 20 JKED COc1cccnc1CCC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789507557 HYOLKELPGWKLPH-UHFFFAOYSA-N 491.708 5.208 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(ccc6ncccc65)s4)CCC3)cc2)c1 1790147479 YTBLNVPUKBONLX-UHFFFAOYSA-N 491.576 5.711 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)/C=C/c4c[nH]c5ccc(OC)cc45)cc3)CCC2)C1 1790560584 QKGWPMPXLLHMDW-NYYWCZLTSA-N 455.558 5.290 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)CCC1 1790591420 COYZKLFVTQISHG-UHFFFAOYSA-N 469.379 5.009 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CC(F)(F)F)CCC3)cc2)ccc1Br 1790745713 UWQNRJDMLBVGIL-UHFFFAOYSA-N 480.284 5.021 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)c(OC)cc4o3)cc2)CCC1 1790876196 XSTDYIVSFDODBO-UHFFFAOYSA-N 483.362 5.528 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)C[C@@H](C)Oc4ccccc4)cc3)CCC2)c1 1791146062 YXVUWYAPSNYERT-HXUWFJFHSA-N 483.568 5.172 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4Cc5ccccc5N4)CCC3)cc2)c1 1792126244 CIWBUWXZPXMHQV-BCHFMIIMSA-N 464.569 5.098 30 20 JKED COc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)c1 1792168351 PRRGFKOJURVTQN-UHFFFAOYSA-N 497.595 5.344 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4F)cc3)CCC2)c1 1792171729 ZIVJNAYMVDHATG-UHFFFAOYSA-N 470.426 5.106 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792207768 ICFGYENKVUOGLS-OYDLWJJNSA-N 493.648 5.102 30 20 JKED Cc1cccc(-c2cnccc2C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)c1 1792230068 KPJNNYRCVJXTSX-UHFFFAOYSA-N 464.569 5.499 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4ccccc4)CCC3)cc2)CCC1 1792230446 ODFOJNAACNFWRY-UHFFFAOYSA-N 450.542 5.190 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCc1ccc(C(F)(F)F)cc1 1793514780 YJUPEMQIHKECBN-KAOXLYBCSA-N 462.556 5.435 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1 1800854473 NNTUNJGMHJPEPA-QEIWAGNOSA-N 485.534 5.378 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1802498418 VPNUNTIHMDOTLI-QPPBQGQZSA-N 487.566 5.341 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1802501075 RTRHUHILUCAFRK-OFVILXPXSA-N 481.612 5.320 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803222539 PLHFADJFBYCRHM-MAGBQMITSA-N 466.025 5.291 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1804174098 DRLSJTYHGBKUJT-YIXXDRMTSA-N 487.625 5.113 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3c(Cl)ccc(OC)c3F)CC2)C1 1804866350 VMZIWWFVUYCIQM-UHFFFAOYSA-N 479.036 5.254 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc(-c5ccccc5)n4)CC3)C2)c1 1805327519 PMTQLIRBKSFVLF-UHFFFAOYSA-N 492.623 5.098 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1806014698 ZVCBYCXZOHLCAR-UHFFFAOYSA-N 499.655 5.434 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1806594745 VOAKUOFTZUZNHA-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1807732377 HGPDGOKZTZYICF-GLDPYIMESA-N 495.048 5.433 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1809754682 DKHVJYFOIXSAID-DNVFCKCGSA-N 465.644 5.446 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812671773 LXJNXMGSAOQFTM-CYFREDJKSA-N 489.522 5.512 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cccc3ncccc23)n[nH]1 1815179574 NSSBQEHONUCIDQ-QHCPKHFHSA-N 459.594 5.185 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1816335721 IVYWOVUYBXVKRB-QFIPXVFZSA-N 498.518 5.004 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COCc2ccc(C)c(C)c2)n[nH]1 1818138397 TYVKFABVWICEMF-ISKFKSNPSA-N 464.610 5.004 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1)C(F)(F)F 1818606710 BERIQRUTAATCFX-CQSZACIVSA-N 482.915 5.702 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc3c2CCCO3)[nH]n1 1819554099 FVPUIVQIKPBQTM-LJQANCHMSA-N 456.612 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[nH]n1 1819556187 XWSAQFMJERBVNV-LUFJGRFYSA-N 489.620 5.598 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCC3)n[nH]2)cc(C(F)(F)F)c1 1820903857 MNSYFQYBBANAPI-MHNQQFQPSA-N 485.510 5.352 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)ON=C(C)C)n[nH]1)c1ccccc1 1820968484 TXFQQKJELICJAW-MWYJAUPDSA-N 467.614 5.033 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)n[nH]1 1821006284 HJOJXEJQPXWMJZ-ZEQKJWHPSA-N 476.527 5.327 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821182310 MYUOZLNDUQVFHE-IBGZPJMESA-N 485.466 5.016 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1F 1821274807 OFJRRFODUWVTIX-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821856433 AZWUNDGNJIYQRT-ODOSVJCGSA-N 473.017 5.086 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2Cl)[nH]n1 1822393118 MRPVRFDIVUUFOW-GOSISDBHSA-N 495.780 5.074 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1822582003 FQICCUGFSFIBKP-QFIPXVFZSA-N 463.969 5.111 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccnc(C(F)(F)F)c3)[nH]n2)c1 1823210820 GKGRRYLYFMGGCX-QRWLVFNGSA-N 496.493 5.070 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1F 1823215909 KCFYIKYWIAEIDE-QMHKHESXSA-N 477.515 5.243 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(Oc5ccccc5)cc4)sc3C2)C1 1823230132 FAQXWGHBQLIEHM-IBGZPJMESA-N 459.571 5.127 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1823258983 CRXZTNYPYWRWAP-NRFANRHFSA-N 498.370 5.216 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)cc1 1823682905 HAHMUTMWPDGGCE-MHZLTWQESA-N 486.591 5.045 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)ccc2F)CC1 1823932242 NISNLJCREZSQSX-LJQANCHMSA-N 487.360 5.033 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 1824054477 VTTAAXOMZKOKKT-VWLOTQADSA-N 464.009 5.078 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)CC1 1824126268 MATVYMJCMVOJGB-MUUNZHRXSA-N 477.693 5.291 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSc3ccc(F)cc3F)CC2)c1 1824446264 XXUZZISILJGIJD-DEOSSOPVSA-N 497.611 5.171 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1824961015 RZLBJQNZFKZLAW-DEOSSOPVSA-N 481.637 5.040 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2c1 1825098225 QTPPFTQDVFWFNN-ZTOMLWHTSA-N 496.655 5.579 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc(C(F)(F)F)c3)CC2)c1 1825688494 UGSGCFIPGSRNFP-JPYJTQIMSA-N 498.549 5.275 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1)c1ccccc1 1826316649 DGQONTPYBQALGE-WWEDSPNTSA-N 471.645 5.741 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2CSc2ccccc2)CC1 1826321733 KQKLTLQLUJINQK-DEOSSOPVSA-N 497.611 5.404 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)[nH]c2c(Cl)cccc12 1827518178 UECUMLSPEBPROU-REWPJTCUSA-N 476.086 5.317 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827681335 IKVWMLLDWUCRHU-HDXVFLSXSA-N 492.685 5.547 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C[C@@H](C)c2ccccc2)CC3)c1 1827701142 TYQWIYWUYKTOEA-JBYIUTFZSA-N 472.614 5.190 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncsc2Br)CC1 1827724727 AFVNNVGZDGMZMY-KRWDZBQOSA-N 482.488 5.131 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1828829666 KWCPESLYQMRVKK-ZEQRLZLVSA-N 491.598 5.421 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)CC1 1828935854 VBMNPJWMRMABEW-RCXAHDMASA-N 464.675 5.262 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829577161 UBSZOGBRLPNGIL-DVECYGJZSA-N 475.658 5.895 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1829707708 LWMDWEXOQJMYDI-QFIPXVFZSA-N 454.998 5.311 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)c1 1829957453 PQJQMYXKYRVBBX-HSZRJFAPSA-N 488.390 5.551 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)cc1 1830017021 QYEMGKXFSKCRAR-HHHXNRCGSA-N 491.591 6.005 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)cc1 1830486047 AJJAHJGTVMEIGP-XMMPIXPASA-N 467.972 5.092 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)c1 1830533752 BJYYPITXBMGIGZ-HSZRJFAPSA-N 487.497 5.263 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc4ccccc34)CC2)c(Cl)c1 1830721425 FPIKLVVQKHKXIQ-AREMUKBSSA-N 487.003 5.307 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)c1 1830768993 DPTBBVFYVYYZKQ-HHHXNRCGSA-N 468.601 5.204 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c1 1830770793 JWULIAILOLIIMT-AJTFRIOCSA-N 457.618 5.294 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830805091 VRYKKWPWYFOSQX-HTAPYJJXSA-N 466.544 5.160 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831236163 WXQYUUNJQDXOFK-ROKPMTFOSA-N 494.598 5.106 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1831371030 QNLXSQBTHKYLKZ-GAJHUEQPSA-N 486.454 5.376 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)[C@H](C2CCOCC2)CN3)CC1 1831371258 WHQULGLLHBKZCB-PTJQVGQKSA-N 493.692 5.068 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cnc4[nH]ccc4c3)CC2)c1 1831731660 KMAXWCLKFLISRM-IDISGSTGSA-N 497.643 5.056 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 1831859204 HOAAGNFLECBWSE-IBGZPJMESA-N 487.360 5.277 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1831954635 BRUKPORGKJLYTJ-XMMPIXPASA-N 481.999 5.135 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2Br)CC1 1832030409 PEXQWAJLELLKMY-FQEVSTJZSA-N 495.408 5.154 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C)CC3)CC2)cc1C#N 1832372993 BYQGRZRGKDYOCE-WHSBFGAESA-N 479.665 5.405 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)c1 1832632995 AXUUUASGUCQCKX-DTCUCFNRSA-N 461.650 5.683 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c4ccccc4n4ccsc34)CC2)CCC1 1832785962 ODCFDYZYQPOMQH-OAQYLSRUSA-N 474.630 5.081 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CNC(=O)OC(C)(C)C)CC1 1832998298 JHOQREDALYZIOD-JOCHJYFZSA-N 491.717 5.149 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CC1 1838528004 YPTCUXRPSXSDBB-HSZRJFAPSA-N 499.655 5.431 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)NC(=O)c1ccccc1S3)C2 1844357262 TZHJXGGNEIDCOU-UHFFFAOYSA-N 489.641 5.213 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1cc(C)cc(C)c1 10172484 QXBAGIXPNOBKSI-UHFFFAOYSA-O 468.440 5.967 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 22025127 NRTWHNVGIVGMGG-UHFFFAOYSA-N 478.952 5.137 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)o2)cc1 22025390 WYHNISQIRMHKDR-UHFFFAOYSA-N 469.998 5.275 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22692726 ZZCVHBZSDWYNFY-UHFFFAOYSA-O 469.577 5.287 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22735383 ZMXNRGCWJUAVAI-UHFFFAOYSA-O 465.642 5.644 30 20 JKED COc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22791431 JUXJMOQGKBZCSP-UHFFFAOYSA-O 481.641 5.345 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)nnc1-c1ccc(Br)cc1 24015681 MMIOSNPFCVJHKJ-IRXDYDNUSA-N 485.451 5.560 30 20 JKED N#Cc1c(NC(=O)CCN2CCC(c3nc4cc(Cl)ccc4s3)CC2)sc2c1CCC2 25037368 YDOZBTOYMIMXEX-UHFFFAOYSA-N 471.051 5.580 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C(C)(C)C#N)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 25841091 SIWKSVRYCQLBNB-IXCJQBJRSA-N 497.595 5.628 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc3c(c2)CCCC3)c1C 28793438 FATYNTFQLNILOS-UHFFFAOYSA-O 474.650 5.668 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3F)n2)c1 103892355 UJXUXKSYULYBDX-YPKPFQOOSA-N 485.540 5.788 30 20 JKED Cc1sc2ncn(CC(=O)Nc3sc4c(c3C#N)CCCCC4)c(=O)c2c1-c1ccccc1 252002437 MWOGAUJUPVNTSD-UHFFFAOYSA-N 474.611 5.274 30 20 JKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303224768 WKLBLJGUSHDIEF-UHFFFAOYSA-N 456.420 5.647 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cs1 490434764 QZCNQFZDBWGBMR-UHFFFAOYSA-N 484.606 6.120 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OCC 494646970 IXGNKVFYVIEVSG-HXUWFJFHSA-N 460.578 5.369 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 499096600 AFZRFRHTGCENDO-UHFFFAOYSA-N 467.978 5.065 30 20 JKED N#Cc1cn(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c2ccc(Cl)cc2c1=O 502856120 OHGVCHSXHNACHT-UHFFFAOYSA-N 464.308 5.611 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)c12 508198705 XZHLFUNLWMYNBH-SFHVURJKSA-N 458.543 5.675 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)N(C)C 510022164 BVMLPBFPTVUEEI-ISKFKSNPSA-N 462.981 5.428 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2OC2CCCC2)cc1 511355648 RMDFWUNRQXWKJN-UHFFFAOYSA-N 455.558 5.975 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 511403436 AIRVDBGUXSAKLS-VWLOTQADSA-N 471.557 5.718 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCN(CCc3ccccc3)CC2)cc1 511423327 WNPWCEAUUZRLLO-UHFFFAOYSA-N 468.601 5.160 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 511846038 SOUQPHZLCQSHDA-SANMLTNESA-N 453.542 5.289 30 20 JKED C=CCN(C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc2c(s1)CCCC2 512595737 VCONIYLHLLRHOX-UHFFFAOYSA-N 471.582 5.782 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cn(-c4ccc(Cl)cc4)nn3)s2)c(C(F)(F)F)c1 515128346 QNVWKUVNEAFMFG-UHFFFAOYSA-N 488.882 5.111 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1cc2ccccc2o1 516722432 NLFHKKLBFMQOOE-JPYJTQIMSA-N 485.971 6.290 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 516725002 HNAKQLBGSPFQTB-UHFFFAOYSA-N 486.547 5.150 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 517130011 RMNXWWSKRPPCPM-INIZCTEOSA-N 482.367 5.602 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 518254964 DBEGRXPGVGDLOU-IBGZPJMESA-N 495.543 5.116 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)n1 518662588 JPZAJDMDOJUMFM-HNNXBMFYSA-N 470.963 5.172 30 20 JKED Cc1cccc(-c2nc(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cs2)c1 518668395 AEBOGYNJVUEFOY-UHFFFAOYSA-N 461.534 6.324 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 520128240 CCPJYWVUVOSPMD-UHFFFAOYSA-N 472.372 5.432 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 520177555 BSAWGWXGJULCJF-UHFFFAOYSA-N 455.562 6.201 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)c1 520889480 IJEJWYXOXPSYKL-OAQYLSRUSA-N 484.339 5.014 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)s2)c(C(F)(F)F)c1 520970250 WZQUVEZBUBZGFQ-UHFFFAOYSA-N 485.447 5.126 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)c(Cl)c1 521280963 KNQJZHLICYYIFO-INIZCTEOSA-N 472.980 5.616 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)N[C@H](C#N)c4ccc(F)cc4)sc3[nH]2)c1 592539401 OKMFWUFMYACTQO-GOSISDBHSA-N 492.601 5.336 30 20 JKED C=CCOc1ccccc1CN(C(=O)CSCc1c(C)noc1C)c1ccc2c(c1)OCO2 603451207 VAUFWUIFKYCBGW-UHFFFAOYSA-N 466.559 5.052 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1Cl 603759152 VEGNMGSWMJVTRB-RDPSFJRHSA-N 475.951 5.625 30 20 JKED COc1ccc(-c2noc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1 603759189 XGMFNRAFUBVQNN-JOCHJYFZSA-N 472.932 5.625 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cc1C 608882090 AMFRXKNZPITFMP-UHFFFAOYSA-N 498.974 5.634 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 609060718 LDTLUTCMQYXQGS-UHFFFAOYSA-N 473.617 5.640 30 20 JKED Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C(C)C)cc1 609061972 NYVLQXOKYXOMIF-AREMUKBSSA-N 455.558 5.147 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 609151796 YREKKPWQTXZBDB-UHFFFAOYSA-N 474.923 5.957 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 612147078 OKNINGUTFJUPTR-UHFFFAOYSA-N 493.810 5.767 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OC1CCCC1 613405098 UWPNQIGCIAQDGR-MRXNPFEDSA-N 460.477 6.135 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)nc2cc(Cl)ccc2c1=O 613816979 MQKHAYONZDRDHY-QFIPXVFZSA-N 484.021 5.090 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1CCC(F)(F)F 622427198 OXZOXTLUVHIQPG-UHFFFAOYSA-N 459.308 6.237 30 20 JKED O=C(Cc1csc(-c2cccc(F)c2)n1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642157904 OSTKJEPEHLEIQI-RYUDHWBXSA-N 454.411 5.517 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(C)Cc2ccccc2-c2ccccc2)c1=S 725782286 HHQXMOKQJDNBRI-UHFFFAOYSA-N 461.679 5.385 30 20 JKED CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726074047 KIRGIYQJFZINIM-XMMPIXPASA-N 462.391 6.547 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 726117502 ZHWSBHHAYICLRD-KKSFZXQISA-N 481.647 5.303 30 20 JKED COc1cccc2c1OCC(C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)=C2 726321112 AMWZRKDTVNGAGK-INIZCTEOSA-N 457.338 5.778 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CCC(C)C)C1=O 726404999 BEYRXYFGHFKLNR-OAQYLSRUSA-N 485.009 5.227 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1F 726413182 WHDZXHGDBMKWCB-QRQCRPRQSA-N 496.539 5.090 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CC1CCC1)c1cccs1 726419916 GVMVLRYFNAWPKU-RRZAIFFPSA-N 463.575 5.216 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2OC)cc1 726571301 RJNMXCUTXNTUKX-UHFFFAOYSA-O 464.998 5.784 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 728029011 TWTNTHLLNIYFEF-VGOFRKELSA-N 499.567 5.310 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)c3cscn3)c2C#N)C(C)(C)C1 728338522 QIECDCMJXUUGCY-PLNGDYQASA-N 495.651 6.020 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCCCC#N)c1 728777584 IXIAJOMJOQPCEF-NRFANRHFSA-N 498.530 5.341 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)cc1 729145350 KMINPMRYKHDTFF-HXUWFJFHSA-N 464.616 5.174 30 20 JKED Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)sc2n1 729415759 CKHSGUPDUIDYOQ-UHFFFAOYSA-N 456.571 5.259 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 730994679 LRBLGPJYALEDMZ-FQEVSTJZSA-N 459.493 5.614 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(c1ccccc1)c1ccccc1 731078252 NTBUJCGKJBDOJO-HXUWFJFHSA-N 458.583 5.426 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 731288807 XGXQSGXECOQLMS-HDHVGFOJSA-N 473.642 5.340 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)c(Cl)c2)C1=O)Nc1cccc(O)c1 731308606 OCNMJMGHJCXJBK-NRFANRHFSA-N 483.952 5.345 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNc1oc(C(C)C)nc1C#N 745624750 NIIONQKSIIJISJ-UHFFFAOYSA-N 451.745 5.629 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 746697985 RFABBAZBJOVZAB-LJQANCHMSA-N 459.999 5.115 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 746698273 YTHPQPPOFAERBL-VWLOTQADSA-N 496.592 5.531 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 747503667 XCQNXMLUCGBBPL-UHFFFAOYSA-N 456.567 5.378 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CCc3nccs3)C2=O)cc1 747601441 HAQGCTPCZOCNRW-HXUWFJFHSA-N 478.643 5.271 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 747802680 DZVIAJWWRQQSBU-PXDATVDWSA-N 499.080 5.890 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(F)(F)F 750395446 OMWCUQFOMRQUMJ-AWEZNQCLSA-N 489.277 5.223 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)NC(c3ccccc3)c3ccccc3)nc(O)c2C#N)cc1 824940768 BTHFJNGGICFGOF-SFHVURJKSA-N 496.592 5.116 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 837521660 AANGFEWIWGENKE-IERDGZPVSA-N 498.530 5.822 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2F)cc1 838534501 CRLJSONIKNLGEM-JOCHJYFZSA-N 481.524 5.134 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914538364 NVQMQQPSUVBFEO-AUUYWEPGSA-N 493.601 5.216 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(Cl)cc1 916211573 PRGNNIQHAYXTFM-SFHVURJKSA-N 464.374 5.148 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2s1 916847247 AWKHMMKAKISFMJ-LJQANCHMSA-N 490.382 5.730 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)[C@@H](C)Oc1ccccc1C#N 916878877 ZCPFGYZQQWZNPC-LJQANCHMSA-N 480.520 5.654 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1Cl 916938756 NGEUQJMJRYUZLA-SFHVURJKSA-N 473.335 5.134 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(N)=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997105 QXBDGPVDRXQFRG-WBVHZDCISA-N 459.358 5.093 30 20 JKED N#C[C@@H](C(=O)COc1ccc(N2CCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997262 UMTVZDHHGXHFJK-SFHVURJKSA-N 486.380 5.499 30 20 JKED CC[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)n1nnc(-c2ccc(Cl)cc2)n1 917045874 BWFPBQCAJBHPDC-ZBFHGGJFSA-N 457.346 5.084 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(C(CC)CC)cc1 917609366 AXPWZSVVYZQNSA-UHFFFAOYSA-O 469.674 6.826 30 20 JKED N#CCCCOc1cccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 917633033 GSZRONRDXDHATB-XMMPIXPASA-N 453.502 5.529 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 917669444 QCOTVSVFEXVXCG-JOCHJYFZSA-N 494.020 5.216 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccccc1-c1ccccc1 919512678 JSAVQIXGBBXUPE-IBGZPJMESA-N 466.493 5.581 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)n2)cc1 920140785 JQFHRMSOLQZEFK-DEOSSOPVSA-N 490.563 6.778 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)n2)cc1 920141395 NZBLYFFNCFBZEM-XMMPIXPASA-N 490.563 6.778 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCN3c4ccccc4Sc4ccccc43)n2)cc1 920142366 VIJPZVXAOIFBLJ-HXUWFJFHSA-N 478.602 6.551 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccccc3OC)c3ccccc3)n2)cc1 920144250 ZIPSMNLZSWPVFL-HDMRQQGGSA-N 466.562 6.244 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)c1 920805695 FOOGLMHWDCNWPS-IEBWSBKVSA-N 479.552 5.434 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)NCC2CCC2)cc1 1318199317 NROJLSDQTIMVRY-UHFFFAOYSA-O 452.644 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2-c2ccc(C)cc2)C1 1781058966 YUAXSNLCLQXUSF-IWGZPIKUSA-N 486.656 5.558 30 20 JKED CC(C)(C)OC(=O)CCCCCCC(=O)NC1(c2ccc(NC(=O)C(C)(C)C#N)cc2)CCC1 1785936085 KFBZWMVVLUDZLZ-UHFFFAOYSA-N 469.626 5.353 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)COc3cc(Cl)ccn3)CCC2)cc1 1786103422 WNUGSZQJJYOMCR-UHFFFAOYSA-N 453.970 5.016 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(OC)c4)CCC3)cc2)cc1 1786330727 HFQFHQAZDCNFFN-RRPNLBNLSA-N 495.579 5.127 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]3C)CCC2)cc1 1786546272 NLKGLDHXFXCJRQ-BWAGFHJFSA-N 469.626 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(Cl)cccn34)cc2)CCC1 1788386596 GYRFJZIWZLWRRO-UHFFFAOYSA-N 464.997 5.728 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCCC4(F)F)cc3)CCC2)cc1 1789167173 WNJIDKBKLPSRRP-RUZDIDTESA-N 469.507 5.418 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(c4ccccn4)CC3)CCC2)cc1 1789455738 BGIQCSQDHQDTEF-VWLOTQADSA-N 472.633 5.201 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789455996 IDAGIBFETITHPF-URXFXBBRSA-N 495.664 5.536 30 20 JKED CC(C)(C)OC(=O)NCCC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789509895 UBGUKCIPASDXED-UHFFFAOYSA-N 499.728 5.086 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CCC2)cc1 1789514058 CLGMOUDFMCEBBX-RGRAMQFKSA-N 464.654 5.199 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)/C=N/O[C@H]4CCCCO4)cc3)CCC2)oc2ccccc12 1789558409 JPVFENNJHNJWSW-QQNPRBCQSA-N 475.545 5.018 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3[nH]nc4c(Cl)cccc34)cc2)CCC1 1790370878 FSRVLUHCDZVLNN-UHFFFAOYSA-N 462.981 5.087 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5cc[nH]c45)CCC3)cc2)c(C#N)c1 1790473036 LFSMGVIIDGREFY-UHFFFAOYSA-N 478.552 5.039 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4C4CC4)CCC3)cc2)ccc1Br 1790744701 PDDOMASVENFQRW-SFTDATJTSA-N 478.390 5.115 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Br)ccc4c3)cc2)CCC1 1790910628 IVBGBVQGJBCDSV-AWEZNQCLSA-N 484.419 5.063 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)nc2ccc(Cl)cn12 1790976453 MUOQGDNPLBTOTB-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C[C@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1)Oc1ccccc1 1791144142 KMCHYGQKSABLTN-OAQYLSRUSA-N 467.569 5.092 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(O)c3)CCC2)cc1 1791300446 QJSXUURZNSTJSX-UHFFFAOYSA-N 479.321 5.114 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnc(C)s3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205353 WYBMJMDCCKWTJV-FQEVSTJZSA-N 498.649 5.059 30 20 JKED CC(C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)c[nH]1 1792236003 PDKLFEKFQJHERN-UHFFFAOYSA-N 470.573 5.011 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(Cl)c1)C2 1798339903 GWKDYMOKAOTELV-MHORFTMASA-N 465.819 5.123 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(Cl)c1 1800380729 BEFRSQQYRIDNMY-BCDXTJNWSA-N 465.819 5.123 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1802493482 YZCDYZIUNIMTJE-BKMJKUGQSA-N 488.607 5.528 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1804172828 HRHTWNBBRGNPRC-CPJSRVTESA-N 496.032 5.234 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)COc3c(Cl)cc(Cl)cc3Cl)C2)CC1 1805245969 SEHKQXUJZMCYLM-MRXNPFEDSA-N 487.855 5.469 30 20 JKED Cc1ccc(CCC(=O)N2CCC3(CCCN(C(=O)[C@H](S)C(C)C)C3)CC2)c2ccccc12 1806069061 XUFFZKLTMDOJQS-AREMUKBSSA-N 466.691 5.266 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1807881598 QHDVDDMGCFQVLH-NLFFAJNJSA-N 494.517 5.058 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808825971 JLWYCQJCCFVAKX-VWNXMTODSA-N 488.657 5.517 30 20 JKED N#CC1(C(=O)N2CCCC3(CCN(C(=O)c4cc5scc(-c6ccccc6)c5[nH]4)CC3)C2)CC1 1809499471 ANHZULIZFYTUIQ-UHFFFAOYSA-N 472.614 5.045 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(N)c(Br)cc3C)C2)CC1 1809627361 XVJVWLLTRSNOKK-UHFFFAOYSA-N 490.486 5.177 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810430946 MSSRKUVJGGEGGS-GJZUVCINSA-N 493.623 5.322 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(F)c2C)[C@@H]1c1cccnc1)c1ccccc1 1810440574 JSCMMERFCZJFCA-MAARLIENSA-N 483.587 5.046 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@H]1c1cccnc1 1811272881 JFHOKKGFIGBXGY-NEKDWFFYSA-N 494.595 5.336 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1811907292 IEAFZVILDVETOM-DHLKQENFSA-N 482.100 5.106 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1811952119 UTWAWPAFIBSFRO-PXJZQJOASA-N 480.612 5.029 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1812234572 YKEFHOHXFKXSQV-CYFREDJKSA-N 479.024 5.528 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1812259650 YBURDYCVBJLNBG-HFZDXXHNSA-N 489.019 5.371 30 20 JKED Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c1Cl 1813827829 VUQARHIDOJEXKI-YADARESESA-N 493.394 5.202 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)nc4ncccc34)[nH]n2)C1 1814396354 AKGHWEPQUQGBKR-VWLOTQADSA-N 492.583 5.292 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)[nH]n1 1814441776 SDYSJPUFODRGQJ-LJQANCHMSA-N 474.646 5.152 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)cc1 1815245745 AMTVQNVGXHKDRO-UPVQGACJSA-N 479.650 5.078 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)[nH]n1 1819386807 JRBKUJZIYWGGOI-XMMPIXPASA-N 489.696 5.177 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)[nH]n1 1819554132 HFYZYMJDRVBBDK-FQEVSTJZSA-N 492.649 5.535 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)n[nH]1 1820082475 TXAOBZJLDNIBRZ-DEOSSOPVSA-N 480.572 5.062 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820088876 BOPZWPNWULIYOQ-LJQANCHMSA-N 470.533 5.007 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)[nH]n2)c1 1820485933 MJNISELNUWESHN-HSZRJFAPSA-N 484.947 5.103 30 20 JKED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4ccoc4s2)CC3)c(Cl)c1 1823678166 OYKDNCJVKFZZLU-CYBMUJFWSA-N 482.974 5.015 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)C1 1823701340 HWZWQXOXIAVOHF-NRFANRHFSA-N 468.947 5.558 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823850176 ZTYVMZIOFKWNPA-BJKOFHAPSA-N 489.701 5.020 30 20 JKED O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056685 CNQNPHKBXPBAIB-BPEMXEAKSA-N 467.053 5.138 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1826381720 NWIOPMNYQPQPHS-RUZDIDTESA-N 482.665 5.270 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1 1827276424 LCTIRDHIZOGTPC-JOCHJYFZSA-N 451.611 5.362 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827780137 XIHUBBNOQNWDBV-AVRDEDQJSA-N 498.590 5.122 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)cc1 1828257389 IEAPMPZQAPAEKT-RUZDIDTESA-N 455.558 5.046 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)CC2)c1 1828321364 OTYDHGDCTQUJAK-OAQYLSRUSA-N 481.021 5.302 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828422083 JYAKCBQVOYITPS-GBXCKJPGSA-N 456.593 5.516 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1Cl 1828422156 LHWWTANJYFLZSM-YKSBVNFPSA-N 495.973 5.363 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 1829068574 FTAHIAQSCBZZEX-DEOSSOPVSA-N 463.622 5.567 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829574103 ZAWAWUWRLAICFX-JOCHJYFZSA-N 495.570 5.873 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3C)CC2)c1 1829676152 SDXIXAKJQAHORU-VWLOTQADSA-N 480.008 5.076 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1830393111 MTKVXSQYGDGELK-BJKOFHAPSA-N 489.701 5.068 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1830421898 PHSRIAAJYPJSNB-QVKFZJNVSA-N 486.415 5.167 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)CC1 1830516015 YKNPCEJZHWYUAY-NRFANRHFSA-N 479.846 5.139 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2)CC1 1830582398 MYDNJMNOGZFCFQ-GOTSBHOMSA-N 460.565 5.290 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1830784111 VRHQEPSPNCDBGF-JOCHJYFZSA-N 479.448 5.427 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(OC)c2)CC1 1831466175 PUXIMASXYUBDOY-NLFFAJNJSA-N 453.627 5.017 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 1831851832 APHMKCLNMNXBGC-QFIPXVFZSA-N 493.873 5.068 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1831852638 XONKSOKKRRWVPJ-HXUWFJFHSA-N 453.385 5.169 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1832632395 OSWFDLVXPGQJCX-VGOFRKELSA-N 499.442 5.563 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1832633439 HVFPUXGLZOVPLV-BCHFMIIMSA-N 477.580 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1832634293 UDNQLICTXFBVRW-KDYSTLNUSA-N 496.611 5.516 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(F)ccc3F)CC2)c1 1832779258 CEZCPGQOFHMUTF-SIBVEZHUSA-N 479.571 5.068 30 20 JKED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CC2)CC1 1833148886 JWOLZOXOCQGBDF-UHFFFAOYSA-N 494.724 5.017 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C2 1844201494 DJAGCTIVCJGPSX-OAQYLSRUSA-N 483.534 5.353 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCc3cc(=O)oc4cc(C)c(C(C)C)cc34)nnc12 3516448 VLCUHQLQUORIBR-UHFFFAOYSA-N 472.570 5.061 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)c(C)c1 10168412 JXKSYMXLOCOUMF-UHFFFAOYSA-O 453.587 6.014 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(Cc3ccccc3)cc2)cc1 10827719 XHTLCUXYHCMPCO-UHFFFAOYSA-O 486.060 6.832 30 20 JKED COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 10911829 UXTRFVQAMMHWLA-CQSZACIVSA-N 495.875 5.105 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccccc1C(F)(F)F 11158223 SNGUZJIFMZNZSL-UHFFFAOYSA-O 459.513 5.615 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1ccc2c(c1)CCCC2 14871967 PWZVERFHPZDZQX-UHFFFAOYSA-O 457.663 6.391 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nnc1-c1ccc(Br)cc1 16832692 KNEPHHACLXLCNY-GFCCVEGCSA-N 479.350 5.291 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)cc1Cl 19298436 AVANHDWVHKDPCL-UHFFFAOYSA-N 465.991 5.175 30 20 JKED CCCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nc2sc(C)c(C)c2c1=O 21658228 ANGPAECWAPZZDO-GOSISDBHSA-N 498.674 5.311 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C(C)C)CC1 23585832 ZNNQGQVUFYDHPI-PMFMOCITSA-N 461.031 5.042 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 25119886 NCXYZEXTYDFREI-STZFKDTASA-N 468.538 5.665 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32289662 GGOPDFIDTUXMDW-UHFFFAOYSA-N 470.554 5.682 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(C(C)C)cccc1C(C)C 33146249 RDPMSBOJQPUBIO-UHFFFAOYSA-N 459.384 5.984 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc4c(Cl)cc(C(F)(F)F)cn34)c2C#N)C1 45698269 KXWOHKZAZPDAJL-JTQLQIEISA-N 499.971 5.580 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl 107647719 IJNLHIQFVMWOLL-RTUAHOQCSA-N 476.020 5.657 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nnc1-c1ccccc1F 216283269 ZVHCUSSONWFFAB-UHFFFAOYSA-N 465.579 5.433 30 20 JKED C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 303309507 FGSAJTOJXAOAOW-AWEZNQCLSA-N 459.855 6.462 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCCN(c4ccccc4C#N)CC3)c3cnn(C(C)C)c3n2)c(C)o1 481086912 ZDRQFAOKRSJHAZ-UHFFFAOYSA-N 482.588 5.113 30 20 JKED N#Cc1cc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)ccc1OCC(F)(F)F 481831860 QSWCCBUSRPLYDD-OAQYLSRUSA-N 498.461 5.030 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 483435964 GNZJBFHEIDFARX-UHFFFAOYSA-N 459.505 6.248 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 485262263 SGJRENDZZFJFHN-AOMKIAJQSA-N 499.920 6.172 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(OCc4ccncc4)cc3)s2)c(C(F)(F)F)c1 487356148 TXFCSYLQVDCZLM-UHFFFAOYSA-N 494.498 5.851 30 20 JKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)n1Cc1ccccn1 491029768 WWUPHNDRWLWQOY-UHFFFAOYSA-N 456.933 6.118 30 20 JKED CCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(OC)cc1 503551311 PCQGVCIZONQGJN-VWLOTQADSA-N 457.530 5.345 30 20 JKED C=CCOc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1OC 505368878 QDFOMSVEVQNPTL-UHFFFAOYSA-N 453.542 5.102 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1C 505508643 WNXVWVWYQKFAQV-SIKLNZKXSA-N 452.480 5.385 30 20 JKED COc1ccc2nc(N(Cc3ccccc3)C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)sc2c1 505869625 NUDSXDAIUIHFIG-UHFFFAOYSA-N 496.596 5.002 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc2c(s1)CCCC2 506010734 UCYYDZVFSSIMND-UHFFFAOYSA-N 472.408 5.591 30 20 JKED CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)c1cc2ccccc2o1 507948680 JXILTKRXPSDKFV-QGZVFWFLSA-N 458.518 5.379 30 20 JKED CCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H](C)c1cc2ccccc2o1 510601488 NYYOCVFEPGQUAR-OAHLLOKOSA-N 463.588 6.063 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3C(=O)c3ccc(F)cc3)n2)cc1 512498499 ISPRPGIPEYAWPQ-QFIPXVFZSA-N 456.498 5.679 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1 514363137 LBGAFYCRKQUQGQ-AWEZNQCLSA-N 467.620 5.124 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1 515179461 AYOYTSPLOVXYRE-QGZVFWFLSA-N 488.613 5.303 30 20 JKED COc1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c(OC)c1OC 515639173 UHYZNFCOEMVRKI-UHFFFAOYSA-N 462.521 5.198 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)c1 518232676 TURHRNUIJZSRPQ-ZEQKJWHPSA-N 473.529 5.019 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4cc(Br)cn4)cc3)n2)cc1 518516410 ATKHERSFRLNZLW-IBGZPJMESA-N 474.343 5.120 30 20 JKED CCN(C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](C)c1cc2ccccc2o1 518546599 GQKNCFZJUABLGW-IBGZPJMESA-N 467.525 5.432 30 20 JKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)[nH]c2c1 519934724 QGRGDURHKZUHET-DEOSSOPVSA-N 464.529 5.364 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 520197424 DCNRRJMYPKCTOA-HNNXBMFYSA-N 463.529 5.285 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 520834314 YXKFLQZFVXFDHZ-HNNXBMFYSA-N 458.008 6.261 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(C)cc2C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 520923825 NILIXAHVYRAVNX-UHFFFAOYSA-N 476.583 6.291 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 521672323 VQQAPGMLBMGSAF-UHFFFAOYSA-N 458.949 5.355 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3SC[C@@H](C)C#N)nc(O)c2c1C 521727424 XAJXQSMIXYYEGW-WFASDCNBSA-N 472.661 5.526 30 20 JKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1ccc(F)cc1 523226616 SPVGEKJPHUJIKE-UHFFFAOYSA-N 462.337 5.919 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2F)nnc1-c1ccc(Cl)cc1 524391356 IDHNZZWRTANTMP-UHFFFAOYSA-N 470.879 5.673 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1F 524439306 RDJYEVIHYLPJAL-DEOSSOPVSA-N 489.938 5.574 30 20 JKED O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)Nc1cc(C(F)(F)F)ccc1F 524441080 QTXNDGAKXSWGNA-SFHVURJKSA-N 479.396 5.058 30 20 JKED Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 524572672 MAYLDWIWQKIRDT-LJQANCHMSA-N 492.359 5.236 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 566755028 OCVSXSQVFIVMMQ-NSHDSACASA-N 491.304 6.019 30 20 JKED N#Cc1ccc(OCc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@H]3CN(Cc5ccccc5)C[C@@H]43)c2)cc1 594654821 DKETWZJZIJABAQ-ZRJFKUPHSA-N 477.608 5.120 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1Cl 603758918 OWVPHUGRCVZBRC-SANMLTNESA-N 486.015 5.805 30 20 JKED N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)c(-c2ccccc2)n1 603804249 QNDXSSADDCMQLK-VWLOTQADSA-N 453.933 5.888 30 20 JKED CCOc1c(Cl)cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 603829543 YXQDXFJTHIQBPX-UHFFFAOYSA-N 452.898 5.128 30 20 JKED Cc1noc(-c2ccc(C)c(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)c2)n1 604441738 VHXMFMVZAVVAGE-UHFFFAOYSA-N 483.553 5.208 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1C 604450383 CPQPFDVTTHSFHG-NRFANRHFSA-N 498.656 5.209 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)CC1 604502501 BVROOKSSUXRWFT-UHFFFAOYSA-N 468.586 5.299 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(-c4ccccc4Cl)n3)s2)cc1 608931233 PEROCEJZPLLPEH-UHFFFAOYSA-N 470.004 5.731 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1c(F)cccc1F 608940987 NCQDZDVGRMRSFH-OAQYLSRUSA-N 469.875 5.488 30 20 JKED Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)n1 609078911 CVJZXNDDOUWXCF-HSZRJFAPSA-N 483.572 5.032 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609106295 JNXJISAPRVMXNJ-UHFFFAOYSA-N 479.870 6.285 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 609155957 PZPVRTPLWGAGLK-FQEVSTJZSA-N 499.409 5.043 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)c2)cc1 609209987 ZMBBLLQIBPOXCO-UHFFFAOYSA-N 478.911 5.133 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)O[C@@H](C)C2 609356014 SOUIQGAGYCXOTR-YROCYRMSSA-N 470.529 5.145 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c1 609382993 ZGSFSUUXCCCYFE-SFHVURJKSA-N 479.627 5.608 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 609439037 UCRVSOQVVOGZBQ-GCJKJVERSA-N 487.069 5.708 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4nc5n(c(=O)c4c3C)CCCCC5)n2)cc1 642281130 LFDWRXAFDSAZFL-QGZVFWFLSA-N 474.611 5.415 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726112145 MMCYKANVNSSIER-MGPUTAFESA-N 485.610 5.134 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2ccc(Cl)s2)cc1 726409976 FRZCAYIJIAGFIF-LJQANCHMSA-N 492.066 5.032 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(C)c(C)cc2C)cc1 726571590 JKKXBGNXZXMKOQ-UHFFFAOYSA-O 488.677 6.309 30 20 JKED C=CCOc1c(Br)cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 726608153 OYGDJYLVAZTSJD-UHFFFAOYSA-N 497.380 5.383 30 20 JKED O=C(O)C(=O)/C(=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2ccccc2n1 728156535 JPJZNJPKMDSDOJ-GZTJUZNOSA-N 454.429 5.571 30 20 JKED COc1cc(/C=C2/CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cc(OC)c1O 728438557 HFVBYHCPMAVBFR-ZROIWOOFSA-N 472.360 5.508 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC(F)F)cc1 728777617 LRRDLWZJIALIKF-IBGZPJMESA-N 490.507 5.081 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CCCCC#N)c1cccs1 728778630 UEHZQTVBUQDRKU-UEDPMERDSA-N 490.654 5.985 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 729070022 OWVSXZPLRCXHGA-CQSZACIVSA-N 486.359 5.057 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1 729669272 UQUMQBOIYUIAKM-UHFFFAOYSA-O 465.595 5.319 30 20 JKED N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 729887238 TWPUQHZALHEPGU-OAQYLSRUSA-N 451.917 5.488 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C2CCC2)c1 730461935 UUQWWONMKZFPKJ-XMMPIXPASA-N 486.597 5.311 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(C2CCC2)C1=O)Nc1ccccc1F 730462108 WJUZNWTZOYRCMF-SFHVURJKSA-N 481.471 5.237 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730945184 PEKRNUQOSWLEQY-MBSDFSHPSA-N 458.587 5.366 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3 730952112 LFDIIAXXZYCYAX-KRWDZBQOSA-N 462.571 5.331 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 731130884 VEVXYBODZTZGAK-RPLLCQBOSA-N 462.553 5.516 30 20 JKED Oc1c(Br)cc(Br)cc1C=Nc1ccc(-c2nnc3n2CCCC3)cc1 731319428 QBGXCMWFURZRIF-UHFFFAOYSA-N 476.172 5.263 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 746696770 UFYINTTWAZGUMB-DEOSSOPVSA-N 484.581 5.337 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2n1C(F)F 747111394 HSTQJFYZBWIAAP-AWEZNQCLSA-N 477.323 6.281 30 20 JKED N#CC1CCN(C(=O)c2cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)ccc2Cl)CC1 747198056 JBCCRLPPRMXPRZ-UHFFFAOYSA-N 494.016 5.111 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 747692999 ZFCOQCRBKHJVRC-UHFFFAOYSA-N 456.470 5.076 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1 749416858 FNMTXDSOQYVQAY-RUZDIDTESA-N 452.489 5.990 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1ccccn1 837302545 XXIQYJXNGSXWQM-VGOFRKELSA-N 462.550 5.251 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2C)cc1 838031632 MENILLRJCBFVKG-DEOSSOPVSA-N 489.597 5.173 30 20 JKED C[C@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1 849191769 SAADEFBFVSNWKL-PSRBBBRCSA-N 476.577 5.034 30 20 JKED COC(=O)c1sc2cccc(F)c2c1CSc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 864035255 IXLRDENAOBDXOK-UHFFFAOYSA-N 481.530 5.162 30 20 JKED COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)Nc2ccc(CC#N)cc2)cc1OC 876424524 CAHGXPVPKWPKGW-KGENOOAVSA-N 494.494 5.559 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 912497516 IMUFSAIPPVUPGT-RLPAFRLCSA-N 469.607 5.060 30 20 JKED CCc1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)c1 913099893 WNJRYXAXRUQTSR-INIZCTEOSA-N 456.782 5.457 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(C3SCCS3)cc2)c1 913429801 BDUUVEHSRRPVRL-GOSISDBHSA-N 454.617 5.274 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2F)c(C)s1 914689860 BSFLZASLJWGFNC-BUXKBTBVSA-N 463.575 5.005 30 20 JKED COCCOc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1OC 915993338 NUZKBKQTBMSFTB-SDQBBNPISA-N 465.933 5.522 30 20 JKED Cc1csc(SCc2ccccc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 916451605 LCEIQGSRJJPELD-UHFFFAOYSA-N 485.634 6.641 30 20 JKED Cc1ccc(Oc2ccc(OCC(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)cc1 916846825 GSIBVFQRTUBOBL-NRFANRHFSA-N 485.565 5.632 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916886812 KNHMTCXRPWEARK-HNNXBMFYSA-N 473.328 5.815 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916887990 RTFIBQJPECEPED-SFHVURJKSA-N 494.610 5.596 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928810 UWNQUGIVVWDBPX-HNNXBMFYSA-N 494.787 5.952 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916932331 SPXAJCFJMZOIQU-IBGZPJMESA-N 495.391 5.895 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045644 ZETBXWLCFGHDOO-UKRRQHHQSA-N 477.895 5.193 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc2cc(Cl)ccc2s1 917046533 KTFDRHQCZKKODJ-CTNGQTDRSA-N 458.926 5.894 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\c2cc(Cl)n3c(nc4ccccc43)c2C#N)cs1 917560368 WZOUVFATIZQLTK-KTKRTIGZSA-N 483.984 6.633 30 20 JKED CC(C)(C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccc(C(C)(C)C)cc1 917614057 QYNNOXHBPIKAQV-UHFFFAOYSA-O 468.687 5.667 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(=O)OC)c2)c1 917706316 KCDOTTAOTAITCV-UHFFFAOYSA-N 499.976 5.152 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 918709334 DUHLADPRKQKOEI-UHFFFAOYSA-N 496.539 6.458 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918735029 LDQRBYRLVMFWCQ-CHWSQXEVSA-N 468.442 5.426 30 20 JKED Cc1cccc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c1NC(=O)c1ccoc1C 919638606 QUOZRAWMNQTZND-UHFFFAOYSA-N 469.497 5.057 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 920110816 WITRMOLZGWZQHA-QGZVFWFLSA-N 497.382 5.418 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)n2)cc1 920138857 LFXGKVCNLSSMET-IBGZPJMESA-N 465.987 6.015 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)n2)cc1 920144019 WEHBJMCRXROBIS-FGZHOGPDSA-N 461.587 5.148 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 920355820 PMVSHRAQXZCOTO-FQEVSTJZSA-N 486.956 5.244 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCOc3c(ccc(Cl)c3Cl)C2=O)cs1 921138288 CJDANAKDTLMGTP-JLHYYAGUSA-N 493.799 6.837 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)C1 1782156592 BCXFYQVWZFYTPY-NDEPHWFRSA-N 482.571 5.068 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)CCC3)cc2)cc1 1785881457 AUGGDSWTPOAFAW-KWXIBIRDSA-N 479.605 5.123 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCCC(=O)Nc4ccccc4)cc3)CCC2)c1 1786111615 SSMQRNLTVMPWIP-UHFFFAOYSA-N 494.595 5.423 30 20 JKED CC(F)(F)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1786454946 OWEGQRSIAZHABG-UHFFFAOYSA-N 457.496 5.055 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C(F)(F)F)cn3)CCC2)cc1 1786678663 GZYKFPMBYUWREA-UHFFFAOYSA-N 477.552 5.086 30 20 JKED COc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cc1C 1787579037 XRPCUMHREGVFLT-UHFFFAOYSA-N 498.583 5.119 30 20 JKED COc1ccc(OC)c(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1787846788 CNFCWJFVGHVYQD-UHFFFAOYSA-N 497.595 5.150 30 20 JKED Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1788809423 MJUFPASEYSFYLM-UHFFFAOYSA-N 466.463 5.275 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CCOC3)CCC2)cc1)c1ccccc1 1789600518 HTCUFBIAWBMHRI-NVQXNPDNSA-N 458.602 5.134 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4occc4n3-c3ccccc3)cc2)CCC1 1789994905 XXBFZZXHQSYFJR-QGZVFWFLSA-N 459.571 5.290 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)cc2)CCC1 1790006895 GNLYBRUBDSREIE-QGZVFWFLSA-N 470.598 5.296 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3F)cc2)CCC1 1790217133 JAVXPINCZQKNLQ-QFIPXVFZSA-N 499.558 5.182 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(Cl)cncc5s4)CCC3)cc2)c1 1790256012 OQSCYLGCIKPMJW-UHFFFAOYSA-N 486.984 5.883 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccc(F)cc4F)CCC3)cc2)cc1 1790286698 AKJRIWGOIHSJRB-UHFFFAOYSA-N 477.536 5.376 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1790566652 XYGTYBVJEQSYBX-GOSISDBHSA-N 499.571 5.372 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3F)CCC2)cc1 1790566763 DHJMKINGHOMFED-GOSISDBHSA-N 481.568 5.163 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1790566968 GGZXUXWDSWXIAL-INIZCTEOSA-N 466.969 5.370 30 20 JKED CCN(CC)[C@H](C(=O)NC1(c2ccc(NC(=O)[C@@H](C)ON=C(C)C)cc2)CCC1)c1ccccc1 1790567220 JFWHXUHWPXSMRT-BWKNWUBXSA-N 478.637 5.005 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(NC(=O)c5ccccc5)cc4)cc3)CCC2)CCC1 1790589834 LWTSPIKPRGEAKE-UHFFFAOYSA-N 492.579 5.380 30 20 JKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1790692503 LTFRZOWXDHONDX-UHFFFAOYSA-N 462.550 5.085 30 20 JKED CCOc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790705100 JGAVBEVMZWNMAG-UHFFFAOYSA-N 459.571 5.274 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)CCCC5=O)CCC3)cc2)cc1 1790707226 HNHOVNUQPSJREP-UHFFFAOYSA-N 477.564 5.333 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccccc5n4)CCC3)cc2)c(Cl)c1 1790767213 OOILUJFGBIXANM-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)cc2)CCC1 1790824514 AZYBBDUTWJSCRH-INIZCTEOSA-N 470.495 5.313 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(Cl)cc5)CCC4)cc3)c2c1 1790836194 VZCLHIXBIRIPLX-UHFFFAOYSA-N 469.932 5.149 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)cc2)CCC1 1791147760 ZGOJBALBLJCXOW-WOVHNISZSA-N 490.648 5.051 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791252104 HVNDTUMQPQWYCT-KNQAVFIVSA-N 471.642 5.130 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1791254182 LPBHSPGMZLMINY-UYAOXDASSA-N 457.615 5.026 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C(C)(C)c3ncccc3NC(=O)OC(C)(C)C)CCC2)cc1 1791588114 BCUFVWLPPLDYMJ-UHFFFAOYSA-N 492.620 5.416 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 1794715885 PAZNOTPMBGWQND-WOZUAGRISA-N 486.538 5.116 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ccccc2c1 1795540254 MVCHYBPYYVWAKT-OOSCYNTBSA-N 460.694 5.072 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc2ccccc2c1)C(F)(F)F 1796514912 QZZLCHSQCRONCV-KOUNCHBCSA-N 479.502 5.272 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccoc2c1-c1ccccc1 1799112192 JWGQGCSNPYKOSJ-KOUNCHBCSA-N 457.574 5.448 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)C3)c1 1800767062 WDERSKAHSGFAQX-KOUNCHBCSA-N 470.400 5.058 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[C@H]2c2cccnc2)C1 1802416363 JSYYZHMMNOPNJC-ZBLYBZFDSA-N 496.636 5.577 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccccc4)C3)CC2)cc(C(F)(F)F)c1 1809305860 DZTFIZDEUZBXNY-BQYQJAHWSA-N 481.518 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809488857 HNJVNEUDBQXZDU-HEIMIULUSA-N 469.585 5.315 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc4c(s3)CCCC4)[C@H]2c2cccnc2)c1 1809772923 NWHORFRZEGMITH-RMQVNJIYSA-N 498.652 5.282 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1810173419 IVQLZVYUJVVPDE-BPYKYCOYSA-N 477.992 5.569 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1810174137 LSMANPUODXEVMK-MZKRTTBSSA-N 472.416 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1810500251 NRJIQXVHNZJXMA-FPOVZHCZSA-N 451.592 5.201 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1810500476 QTOJEFQPQFOGBK-WIYYLYMNSA-N 482.675 5.373 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1810504425 ZNTPTFWGEXNORR-XMSQKQJNSA-N 491.529 5.552 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1 1811733769 WFBONWRTRMZGLW-NVQXNPDNSA-N 478.612 5.409 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1812127824 QSIBUSOLFXZRSZ-CVDCTZTESA-N 464.635 5.245 30 20 JKED Cc1cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)ccc2[nH]1 1812278451 YCWIEKWKPDKQGH-LVXARBLLSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302956 MHTUDXCLKLKGFU-MVOZIGHISA-N 493.607 6.069 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)[nH]n1 1814443005 GWNSCHXMZKPCLY-QHCPKHFHSA-N 475.593 5.265 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2Br)n[nH]1 1814613995 ZQLGILSRWXEJJL-OXJNMPFZSA-N 489.389 5.386 30 20 JKED CC(C)(C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1816760648 MESDFLPYUKCZHF-SFHVURJKSA-N 461.488 5.042 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)n[nH]1 1816865132 RRPCSXXPWNQGPJ-DYESRHJHSA-N 491.419 5.556 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(Cl)cc3)n[nH]2)c1 1816934693 FYTWDHINAODBBI-HXOBKFHXSA-N 475.980 5.239 30 20 JKED Cn1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)cc2ccccc21 1818438124 PAXZJWAIQFKOFX-QHCPKHFHSA-N 489.696 5.258 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1819308232 YHVUYNZIVJTEGY-ZJSXRUAMSA-N 487.579 5.685 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)[nH]n1 1819552623 SJQOSPAJUQAIEX-LJQANCHMSA-N 489.661 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2ccccc2)n[nH]1 1820005602 XMUDEPMQTBYLIT-DEOSSOPVSA-N 471.605 5.770 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CC1 1821309749 AEGXAIIMSSPBLD-UTKZUKDTSA-N 485.510 5.352 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1822391398 HGPQNHIWEHMKCK-SFHVURJKSA-N 454.983 5.387 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)[nH]n1 1822400357 HJCPTSVSTSPBKS-UTKZUKDTSA-N 481.597 5.129 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1824539891 DLVMCIFNRMYQKK-RBBKRZOGSA-N 463.043 5.274 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824541930 NCRKFBNTDAARRU-ZEQKJWHPSA-N 478.658 5.774 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824636892 CWLSRECCYHFJTQ-XOYNAWAESA-N 452.561 5.107 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(C)c(C)c2)CC1)c1ccccc1 1825392972 ZVWHXIBKACEZDT-NSOVKSMOSA-N 471.645 5.129 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1 1827988205 YSEDADDJQGLBPP-HXUWFJFHSA-N 463.094 5.217 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828040643 KOKOWTAXTJREHV-AREMUKBSSA-N 474.004 5.106 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1828152225 DEMGQQDZODKDIF-AREMUKBSSA-N 489.019 5.434 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828508413 YMLMHCYCGOARLP-OPAMFIHVSA-N 489.479 5.154 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828553841 NXVRQFARZIICME-HXUWFJFHSA-N 481.618 5.521 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 1828827024 QMTONTWJRPLNAY-CTNGQTDRSA-N 464.437 5.390 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1828829701 LQGPEAMOUSTMMB-SGNDLWITSA-N 489.701 5.068 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1828829723 GSFVDMMIEQWAQH-SIKLNZKXSA-N 469.029 5.218 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2Cl)CC1 1829448965 QVVDFUYUHQDVHL-NRFANRHFSA-N 479.162 5.686 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1830153804 FWUZJKKSYWDEGU-RDPSFJRHSA-N 483.056 5.147 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)cc1 1830351360 ILNRHQUWRPRWKV-XNWPQPEVSA-N 461.650 5.247 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830534697 ZFCLEGBSRFTIIF-IERDGZPVSA-N 454.508 5.290 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)cc1 1830736566 QRMZHNOZSKANGP-JOCHJYFZSA-N 488.390 5.551 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(O)nn3)cc2)CC1 1830794480 AEHDAMZEFKKKEB-RUZDIDTESA-N 490.648 5.075 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831301642 DJAAILCYUNORAZ-VWLOTQADSA-N 487.084 5.364 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1831844138 ZTIGQQGGDLOKDE-JTSKRJEESA-N 488.053 5.079 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1831855461 BBRKKIMGAGMFHA-QHCPKHFHSA-N 485.550 5.577 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c(Cl)c1 1832389716 HBQWXAZBXSNKEZ-OLWOTWMISA-N 468.041 5.415 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCC(F)(F)C3)CC2)cc1C#N 1832702914 OXGVLVFYBDIRGF-GMAHTHKFSA-N 487.591 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)Sc3cccs3)CC2)CC1 1838360905 FWPTWXQCZKLERV-LJQANCHMSA-N 478.724 5.220 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)c1 10172501 IZASXXYNBUUPKN-UHFFFAOYSA-O 496.612 6.141 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccccc1F 11169447 AXSVNBAAIJGWBN-UHFFFAOYSA-O 455.578 6.394 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2F)c1 15544232 WJBXSKYEZSDDDP-UHFFFAOYSA-N 458.942 5.421 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C)ccc1Cl 15992401 WMVZRBCWNCICOO-UHFFFAOYSA-N 472.969 5.730 30 20 JKED COc1ccc(-c2nnc(COC(=O)c3ccccc3SCc3ccc(C#N)cc3)o2)cc1 18259970 KXXFNBIHEAWMHG-UHFFFAOYSA-N 457.511 5.266 30 20 JKED CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)s1 21681843 AHWRQEPPSHWMBF-MRXNPFEDSA-N 453.593 5.108 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)NCCc2ccccc2)cc1 22734879 ALAQLMIVBNFDKE-UHFFFAOYSA-O 466.070 6.302 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nnc1-c1ccc(F)cc1 24295030 PNQCQAFJOJZMKO-IBGZPJMESA-N 493.589 5.395 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2cc(Br)ccc2c1 78665580 RITFDOHRTVNMGD-HNNXBMFYSA-N 455.377 6.014 30 20 JKED N#C[C@H](C(=O)c1cc2sc3ccccc3c2s1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 195651674 MSPAMOXGTMBVNS-CYBMUJFWSA-N 461.593 5.783 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)cnc21 255685427 MDWXMEAZJFDJIT-UHFFFAOYSA-N 462.560 5.229 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nc2ccccc21 303375573 UOCVCIJAJWGSDH-RUZDIDTESA-N 451.530 6.089 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)c1 483617260 PSUOFHADRGSSJS-UHFFFAOYSA-N 476.536 5.371 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cn4cccn4)cc3)s2)c(C(F)(F)F)c1 487294444 TZQGFLYQIGXFKZ-UHFFFAOYSA-N 467.476 5.121 30 20 JKED CCCCCn1nc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c2ccccc2c1=O 487975281 OBXTUXHLUIDJRT-UHFFFAOYSA-N 482.559 5.440 30 20 JKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 498819764 WBGRTWZTMHWRMS-HSZRJFAPSA-N 467.013 5.688 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)cc1 499692383 ILZYNQXLGLZXBK-JOCHJYFZSA-N 453.901 5.545 30 20 JKED CCc1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1c(Cl)cccc1Cl 501308651 ITCWPOROEHRWNB-NSHDSACASA-N 475.286 5.371 30 20 JKED C=CCN(C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc(C(=O)OCC)cs1 501953870 SHRDMNGZUHPKBX-UHFFFAOYSA-N 463.534 5.295 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CC2)c1 502669689 NSGGCSHBELSWCI-UHFFFAOYSA-N 474.948 5.887 30 20 JKED N#Cc1cccc(OCc2cccc(C(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)c2)c1 507752679 UETQDDJIHONUJL-UHFFFAOYSA-N 480.549 5.398 30 20 JKED COc1ccc(OC)c(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C2CC2)c1 508283644 XCNNENFDQGUXMX-UHFFFAOYSA-N 473.529 5.573 30 20 JKED C=CCN(C(=O)c1ccc(OCCCOC)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 508785450 RDKBRMOCUDYBAA-UHFFFAOYSA-N 478.401 5.760 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 510509327 VKQMWGIRSQIUQW-DEOSSOPVSA-N 471.948 5.957 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc(OC)c1 510618964 MHRIVSLYZKTLSX-UHFFFAOYSA-N 451.910 5.685 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 512534316 PHMLQMHZUUHRBQ-CYBMUJFWSA-N 458.008 6.067 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 512960458 BQCSYPZGJWSBRN-HNNXBMFYSA-N 460.962 5.263 30 20 JKED CCCc1ccc(-c2nc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)sc2C)cc1 513784559 UHTZOFCLVWTUMP-UHFFFAOYSA-N 458.591 5.174 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN(C(=O)c2cccc(F)c2)CC1 515108074 LPXMRQONYDQAOT-UHFFFAOYSA-N 477.380 5.243 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 515471454 PXTWHVXDHNOZOA-UHFFFAOYSA-N 469.585 5.914 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccc(Br)cc1 515547397 VJWPNGCNWYDSPX-HNNXBMFYSA-N 471.767 5.696 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCn3ccc4ccccc43)cc2Cl)cc1 515916525 ITXLRWDZYHLYEQ-UHFFFAOYSA-N 472.932 5.104 30 20 JKED CN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515966055 WUQLOMJIHXKRSN-UHFFFAOYSA-N 472.303 5.394 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1Br 517460519 ISNWLOKTTOTSHW-CQSZACIVSA-N 499.883 6.105 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 517464807 HNWXWIPVVDTXCG-FDDCHVKYSA-N 478.017 5.630 30 20 JKED CCOC(=O)c1ccn(-c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 517473566 QMZFINUKRYIXMR-UHFFFAOYSA-N 497.530 5.294 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1Cl 518115546 IYYRTTUFRZRJMB-LADGPHEKSA-N 461.924 5.437 30 20 JKED N#C[C@@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1ccc(OCc2ccccc2)cc1 519127681 MDQPHWVXGHTGDB-RUZDIDTESA-N 466.541 5.431 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 519515687 ROQFBSFLHNWKPI-CHWSQXEVSA-N 453.789 5.903 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)nc2C)c1 519963854 WHBMOGZBOYIRTB-UHFFFAOYSA-N 469.994 5.294 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 520686855 WFOQGBMUEJJOHJ-UHFFFAOYSA-N 496.567 5.124 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 520864909 UUAYPVDNDLQZRN-UHFFFAOYSA-N 452.514 5.671 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 521752657 CWQPGRARGXONQM-QGZVFWFLSA-N 469.994 5.962 30 20 JKED CC(C)[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 522613935 IIXCLPKDHMRWAQ-QFIPXVFZSA-N 472.511 5.334 30 20 JKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1 524438828 WRMJIPLIGXFUJV-UHFFFAOYSA-N 456.546 5.131 30 20 JKED C=CCN(C(=O)CS(=O)(=O)CCCCC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 590218280 UNLBZANXWBHVBV-UHFFFAOYSA-N 461.436 5.241 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 594934086 PWRKEANFFBZRPW-HXUWFJFHSA-N 463.647 6.264 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2)cc1 603627255 YAXMFLPNUZONDI-UHFFFAOYSA-N 484.537 5.107 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1OCCO 604104484 SUFQIGNZHGGOOV-MRXNPFEDSA-N 481.936 5.266 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)s2)cc1 604288628 JVJCYDINXJJFGQ-STQMWFEESA-N 495.474 5.297 30 20 JKED CC(C)(C)Oc1ccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 604444131 WYGYMNPRCVFZIJ-UHFFFAOYSA-N 453.593 5.201 30 20 JKED CCCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 604507467 QRERMOVYZHJCSL-UHFFFAOYSA-N 457.530 5.045 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 608916178 MUVVKZAJUKWZGJ-UHFFFAOYSA-N 478.911 5.133 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2)c1 609064045 QYIOVNSFNSECSV-UHFFFAOYSA-N 471.391 5.239 30 20 JKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)oc2ccccc12 609088054 PTJMCQGNQIQFCF-QGZVFWFLSA-N 487.943 5.661 30 20 JKED N#CCn1c(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc2ccccc21 609168742 DRZNCSQLXSYWDN-UHFFFAOYSA-N 451.349 5.227 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 609326827 ISKWIUHLYKCYSJ-QGZVFWFLSA-N 481.599 5.049 30 20 JKED Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Br)c1 609378912 IOFLEMRISPNQCL-UHFFFAOYSA-N 479.343 5.583 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 609382837 UJSZCLHPODNKTO-HNNXBMFYSA-N 498.402 5.727 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1C 612941757 RWHMCLDKIKZVEQ-IBGZPJMESA-N 488.034 5.293 30 20 JKED O=C(c1ccc(OC(F)F)c(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517321 GHHQXYQKJIFGJI-INIZCTEOSA-N 487.318 5.678 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c(C)c2c1 642368571 XKICTQQHWGNLLE-UHFFFAOYSA-N 452.510 5.966 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1F 726397715 IOXFLNPNIYMSOY-DJJJIMSYSA-N 481.952 5.004 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccsc2)cc1F 726412335 RCRJZWSYIUPZPP-NRFANRHFSA-N 499.589 5.065 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c(F)cccc1F 727627549 HDNGCZSFWGFPAG-SMOMHGCISA-N 483.584 5.333 30 20 JKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 728409764 SOXKVUGXLNTXOY-DYESRHJHSA-N 483.593 5.510 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)cc1 728776149 KKZYZAPZJVEYHK-HSZRJFAPSA-N 478.618 5.356 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c1 728779817 LYNJTVSCZRNNEJ-JOCHJYFZSA-N 466.582 5.603 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)cc1 728780672 WNMJSESWJCGDAZ-QHCPKHFHSA-N 478.618 5.356 30 20 JKED C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 729037139 WGMMSRWJEIEZMI-CLOONOSVSA-N 460.528 5.531 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)c1 729634878 VWKDVXAJGHDIKA-QHCPKHFHSA-N 476.577 5.306 30 20 JKED CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 729820713 WOHKTRLSHVSRJX-DHZHZOJOSA-N 489.380 5.513 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O)Nc1ccccc1F 730460302 XEMJWRQEWPXZAO-GOSISDBHSA-N 479.549 5.653 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cocn3)C2=O)c1 730711099 YLDYCGMUDDPVMN-QFIPXVFZSA-N 462.575 5.069 30 20 JKED CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 730993829 CZBCIQRYTKZZMK-SFHVURJKSA-N 496.610 5.357 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCOc3ccccc32)C1=O)Nc1ccccc1F 731152367 QUNLOSKLGRRRNB-UUOWRZLLSA-N 489.572 5.352 30 20 JKED COc1cc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)ccc1S(=O)(=O)C(F)F 747066381 JNEAXJPRXDSQMH-VQHVLOKHSA-N 487.524 5.178 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3cc(Br)cc(Br)c3o2)c1 747562804 YFUWNEYTCVOUAP-CQSZACIVSA-N 476.124 5.227 30 20 JKED CCCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1Cl 749049448 SEVDJNVEPFHZSW-OAHLLOKOSA-N 476.751 5.141 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1cccc2ccccc12 799211785 PLJRLQDVCUMAPU-LJQANCHMSA-N 475.467 5.502 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1ccccc1C(F)(F)F 799216728 FFDOGEHTSCISSB-OAHLLOKOSA-N 475.414 5.228 30 20 JKED C[C@@H](OC(=O)c1cc(-c2ccccn2)nc2ccccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 813389905 QGKWBYAJRYPBKR-OAHLLOKOSA-N 456.889 5.006 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 839415707 JMLXNKHSBDETRZ-UHFFFAOYSA-N 473.327 5.190 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)c1C#N 857844994 WENCLMNLRHTUML-OAHLLOKOSA-N 487.606 5.927 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1=Cc2ccccc2O[C@H]1C(F)(F)F 883977551 MVORNLPRXMPZKV-OXJKWZBOSA-N 461.324 5.419 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@H](c2ccccc2)C2CC2)C1=O 914549204 BSTHSXLPOPBZKF-AZUAARDMSA-N 462.402 5.212 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccccc2COC(C)C)C1=O 914550088 MGCYOHGHJWJLAZ-FQEVSTJZSA-N 494.444 5.186 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 914839106 SNFAQOUUZXCHKI-HNNXBMFYSA-N 481.763 5.375 30 20 JKED O=c1c(C=NNc2ncccc2C(F)(F)F)c(Sc2nc3ccccc3s2)nc2ccccn12 915050058 CUMDXGYNRMWVMY-UHFFFAOYSA-N 498.515 5.315 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 915085231 IZKYJEFQJXCJRJ-FYYLOGMGSA-N 492.406 6.140 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc([C@H](C#N)c5ccccc5)cc4)cc3C2=O)c1 915087818 ANZXGHHBRZCQBI-HHHXNRCGSA-N 485.543 6.012 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1nc(-c2ccccc2)cs1 915101403 ATSFZJKHJZABPY-HKUYNNGSSA-N 481.524 5.140 30 20 JKED CCN1C/C(=C/c2csc(-c3ccccn3)n2)C(=O)/C(=C/c2csc(-c3ccccn3)n2)C1 915982527 HWGOFSROBGSGEN-MJZABRMRSA-N 471.611 5.095 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)c1 916204298 BSNBLEXULPMKSI-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O 916209273 IIZRWJYKECIHLT-NRFANRHFSA-N 498.967 5.043 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(F)F)cc1 916209541 MRKRTPQEHSHITJ-IBGZPJMESA-N 461.534 5.275 30 20 JKED CC(=O)N(c1nc(C=NNc2nc(Cl)c(Cl)cc2Cl)cs1)c1ccc(F)cc1F 916318088 MBYSJWUWHZDXHT-UHFFFAOYSA-N 476.723 5.907 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)nc2ccccc21 916844737 AFPAZUKYBSTHDN-SBUREZEXSA-N 460.331 5.332 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2s1 916847936 WROQTPUBNXNZJN-AOMKIAJQSA-N 463.356 6.055 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccccc2Cl)o1 916904699 IAOIEBWYSLPPBM-IBGZPJMESA-N 456.885 6.353 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908702 NNIOLTYXSFSHBK-GOSISDBHSA-N 475.570 5.795 30 20 JKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 916928174 IGHVQVFTSNWGSC-IBGZPJMESA-N 453.325 5.447 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc12 916942791 OXRIJYXNUHAFHH-GOSISDBHSA-N 469.353 5.663 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2cc(Br)ccc2OC)cc1 916956270 ZEQDXJDBEBJVSF-QRWLVFNGSA-N 485.378 5.282 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)c(F)c2)n1 917687026 LIPFHCNZIWYEKC-JOCHJYFZSA-N 480.540 5.137 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(Cc2csc3ccccc23)C1=O 917690785 KBLMWUDWPBYECN-GOSISDBHSA-N 493.532 5.068 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2C#N)s1 917700781 SXTQIVUOLBXZBM-QHCPKHFHSA-N 488.638 5.020 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 918287454 ALIUUYDHGZAPFR-ILBGXUMGSA-N 462.553 5.168 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 919812069 CGUPSGPFFAREOS-UHFFFAOYSA-N 457.331 5.203 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 920355188 IZNUJZBUWOBEJH-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 920360580 YVMCLWJTVYAGHE-HSZRJFAPSA-N 492.576 5.080 30 20 JKED CSc1cccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)c1 920805347 CFXJFNGXVGSSCK-CJNGLKHVSA-N 469.538 5.040 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@@H](C)S)C3)cc2)cc1 1782184839 HBXFBGXMAZGJDC-KFACBJOOSA-N 494.701 5.142 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccnc5c(O)cccc45)CCC3)cc2)cc1 1785797326 GSLNMVGOUWEWML-UHFFFAOYSA-N 490.563 5.193 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCN(C(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785807757 PJYUIYNGJWZMHT-FQEVSTJZSA-N 481.637 5.124 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(OC)cc4Br)cc3)CCC2)C1 1786161585 XTBNFVKIOYWGBR-UHFFFAOYSA-N 483.406 5.101 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)c(F)c3)cc2)CCC1 1786334352 WRECJOBXDCWDJN-LJQANCHMSA-N 453.558 5.002 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CCC2)cc1 1786358553 UDMOUONLQFAQDC-HXUWFJFHSA-N 492.579 5.016 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4Cl)CCC3)cc2)c(C(F)(F)F)n1 1788356406 JXTDLIVHORHYKL-UHFFFAOYSA-N 499.880 5.082 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CC3)CCC2)cc1 1788361019 VUIKFAOATBRHCM-UHFFFAOYSA-N 450.542 5.109 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(Br)c4[nH]3)cc2)CCC1 1789328805 DJMOJZDFVNPTCV-UHFFFAOYSA-N 479.378 5.228 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790002593 LRZVXCWOMJRKAO-VUTHCHCSSA-N 499.640 5.373 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)cc2)CCC1 1790046694 QEIMNASCQWWPOI-QFIPXVFZSA-N 475.545 5.046 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cncc(C(F)(F)F)c4)CCC3)cc2)cc1 1790291010 KLPHPKHZBDNEDS-UHFFFAOYSA-N 492.501 5.353 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCCC)cc3)cc2)CCC1 1790337778 MECYJWGWOAUMDJ-UHFFFAOYSA-N 450.579 5.206 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N(C)C)c4ccccc34)CCC2)cc1 1790511413 CEKXWSBBLKJSDW-UHFFFAOYSA-N 499.611 5.163 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C\C=C\C)CCC2)cc1 1790519097 FCFKYSKDLYKOQQ-SKALMKJUSA-N 467.610 5.112 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)cc1 1790707222 HBRXMEDSZGRGMP-UHFFFAOYSA-N 467.447 5.426 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCS4)CCC3)cc2)cc(C(F)(F)F)c1 1790787229 BJKYUIGPCQQISP-HXUWFJFHSA-N 473.520 5.220 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)ON=C(C)C)CCC3)cc2)cc(C(F)(F)F)c1 1790817746 VIPVSAADGQCRFR-MRXNPFEDSA-N 491.510 5.263 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)CCC2)cc1 1791582249 AQQDCKVHPXKOJS-UHFFFAOYSA-N 455.558 5.242 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)s4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682031 IXSDNKNEFXNZCN-IBGZPJMESA-N 499.608 5.201 30 20 JKED COc1cc(F)ccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124132 MBCCLXJYUURHPW-GOSISDBHSA-N 471.532 5.523 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccn5nccc5c4)CCC3)cc2)c1 1792124815 JLFFXTMJLSMNJW-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)c(Cl)c3)cc2)CCC1 1792160001 XTCMOOWFJLUFCH-UHFFFAOYSA-N 462.924 5.349 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cc(C)n1 1792168498 IMMXXRAZMMJQJW-UHFFFAOYSA-N 496.611 5.673 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]4CC[C@H]3N4C(=O)OC(C)(C)C)cc2)CCC1 1792342660 FOCDMOOOJQJFBA-FDTGPBLFSA-N 481.637 5.121 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(-c2c(F)cccc2F)n1 1794735087 ZDPXUKIMCNWSIN-RDGPPVDQSA-N 483.534 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1Cl)C2 1798592442 RQGFZGQASVYRSW-BJWYYQGGSA-N 486.962 5.525 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C2 1798593814 MVYGWQDLTIZSDH-BJWYYQGGSA-N 456.936 5.603 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(F)c(Cl)c2)c1Cl 1800707421 QTJPJSBDMNXDQF-QDMKHBRRSA-N 480.754 5.223 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1 1800854559 VFHKAZQMGQLOJU-VOESYKHASA-N 499.561 5.824 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1802496465 IWTIOXPQPZZUIU-YADARESESA-N 479.024 5.528 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)C(C)(C)Cc3ccccc3)[C@@H]2c2cccnc2)c1 1803026924 RQQLGESEKCDICE-OFEZKSIWSA-N 494.639 5.297 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ncccc4-c4ccccc4)CC3)C2)cc1 1804758841 JEOIMSMQNHOVGI-UHFFFAOYSA-N 492.623 5.098 30 20 JKED CC(C)[C@H](C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1)c1ccc(F)cc1 1804762342 OMPHYFBNHCHREO-NDEPHWFRSA-N 489.635 5.301 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)C3CCC(F)(F)CC3)C2)CC1 1805757297 SZPDFBWKLPOAOO-UHFFFAOYSA-N 466.689 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1807210692 QWMPKHRCDUXVMB-GGAORHGYSA-N 498.465 5.465 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)c[nH]1 1807451950 OEQIAFIHOIYRHR-UHFFFAOYSA-N 469.746 5.208 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810531646 MSHBJBQAAHJOIS-AZGAKELHSA-N 477.674 5.265 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1810962360 JYJJGGOSLRWBNH-LUQKVYGDSA-N 479.930 5.286 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1811767477 UKLDFELYFOBPAR-DENIHFKCSA-N 473.539 5.412 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C3(c4cccc(Cl)c4)CCCC3)[C@H]2c2cccnc2)C1 1812988378 YVTWGGXCRHPHRR-PXDATVDWSA-N 478.036 5.219 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c1 1813868359 LYGZOBBAKOHIGG-OGKMONNXSA-N 470.617 5.165 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1814105673 HEBLDXXNEZQDIR-ZBLYBZFDSA-N 482.609 5.024 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)[nH]n1 1814441584 BQPMIJDJQLOVHU-OAHLLOKOSA-N 467.492 5.023 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)[nH]n1 1814570816 VTQFPVLKPGKTLD-HXUWFJFHSA-N 468.001 5.117 30 20 JKED CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1)c1ccccc1 1816740856 UNBDJLDLMKUFLY-HFRGRHLUSA-N 469.589 5.536 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)[nH]n1 1817121956 FMLALRTYJOZPJJ-QFIPXVFZSA-N 491.979 5.252 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1)C(F)(F)F 1817679519 YDIDPMOZVOZIAY-AWEZNQCLSA-N 483.903 5.097 30 20 JKED C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)sc2C1 1817932059 NETJFUCGPMGDKQ-GOSISDBHSA-N 495.004 5.013 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818644684 MWVKHSMTBUINDD-XMMPIXPASA-N 487.680 5.315 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[nH]n1 1819307085 NXAAQMVOHYSJHO-CMSSDFPGSA-N 487.604 5.374 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)[nH]n1 1819557014 TWXSKXBIXLFOBZ-OAQYLSRUSA-N 486.016 5.320 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093202 BAIIDEVLEVMKQW-IIBYNOLFSA-N 489.601 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4sccc4Cl)sc3C2)c1 1820894116 KTTBYFDGZGJQAY-IUODEOHRSA-N 471.007 5.025 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1cc(F)cc(C(F)(F)F)c1 1821081796 KELYUHPWBBDOMG-HNNXBMFYSA-N 480.384 5.216 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2)n[nH]1 1821129029 NGIQAVLGTORZLJ-HXUWFJFHSA-N 458.509 5.085 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)n[nH]2)C1 1821155252 IKKDBJALIBMORD-NRFANRHFSA-N 479.581 5.029 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)n[nH]1 1821226158 XEMJIDGMGSMUQB-CPJSRVTESA-N 487.604 5.492 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2C)n[nH]1 1821338066 GITAHTKKNCYAHQ-LIRRHRJNSA-N 480.396 5.132 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821609870 NUCFXZLNHIJKAX-QUCCMNQESA-N 493.589 5.607 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821611118 HOJJFFZZDBEESE-HSZRJFAPSA-N 468.557 5.809 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)n[nH]1 1821758406 WEVLPQGYOTXMHY-SQHAQQRYSA-N 479.669 5.333 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@H](C)CC)[nH]n1)C(F)(F)F 1821989562 NPGDAHVJXWUAHR-JJXUHFIVSA-N 462.516 5.350 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1)c1ccc(O)cc1 1822468380 QAHJBCDZWHVPLQ-NFBKMPQASA-N 498.574 5.130 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(Cl)c1 1823216171 PKOTZHTYCRIFEN-WAIKUNEKSA-N 491.979 5.318 30 20 JKED C[C@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216187 PVPWPTURQOHORV-OHUGHZGNSA-N 469.589 5.221 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)ccc2[nH]1 1823218070 YGGAXFKJDIMAAN-GKVSMKOHSA-N 480.572 5.446 30 20 JKED COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1Cl 1823243274 TZIARNFTTSSYQA-LJQANCHMSA-N 498.370 5.216 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823291206 XTFVZNWDSAKODT-OAQYLSRUSA-N 477.590 5.058 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823292402 IVXBADDERGAWQJ-QFIPXVFZSA-N 463.582 5.121 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1824141551 ULXPQUQEPFEZFV-MHZLTWQESA-N 461.650 5.489 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)CC2)c1Cl 1824645307 DIUMWBBZAVOSMS-NHCUHLMSSA-N 477.983 5.270 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)CC1 1824648900 ZNSLZOFJIZEWQZ-XZOQPEGZSA-N 480.716 5.483 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3nc(-c4ccccc4)sc3C)CC2)C1 1825102425 QQUNGDNRWXAKIB-VWLOTQADSA-N 477.674 5.247 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(F)cc2F)CC1)c1cccs1 1827680995 BGDUEOIXOUDGCS-LWASQVHOSA-N 498.595 5.098 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1Cl 1827681642 NMDBYAVVAKEYDZ-CZQLGGELSA-N 485.049 5.382 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccccc3n2)CC1)c1ccccc1 1828006292 ANLYUZAZOTWZTQ-ABYGYWHVSA-N 494.639 5.060 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1828216643 OSJVNCXZYDIUKX-SANMLTNESA-N 499.611 5.185 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1828352561 ROHGNOOEXISFQB-ZRRKCSAHSA-N 476.661 5.255 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 1828497155 HLHXXYMMAQODTI-FYYLOGMGSA-N 489.701 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1828823336 RLOYBQLBYYNVQH-FPOVZHCZSA-N 466.544 5.609 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829975783 IIYOOJBLAGIGNX-LJQANCHMSA-N 459.364 5.438 30 20 JKED COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)ccc1C 1830068522 ITAJUXZNMVLQNM-DEOSSOPVSA-N 480.008 5.076 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2)CC1 1830358298 KZBMICAHVZBOOJ-LOSJGSFVSA-N 497.680 5.088 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830409832 UIESNTJRLXUNAU-SHEYNDHISA-N 475.633 5.003 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)cc1 1830632705 WRTYCVSOEPNMNO-HSZRJFAPSA-N 467.972 5.092 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830987996 QZRLMUBQTBNFTQ-QFIPXVFZSA-N 469.423 5.412 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1831373352 CODGWBXHGKVWRG-CLOONOSVSA-N 456.602 5.060 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1831852068 NOVINRRTGYLFJE-XMMPIXPASA-N 495.461 5.639 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1832549832 FZCHGOJOXWNUCX-AREMUKBSSA-N 494.035 5.086 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(c3)CCCO4)CC2)c1 1832562373 GPNSMRGIDJQGAV-KDYSTLNUSA-N 485.628 5.186 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1832633442 HVFPUXGLZOVPLV-NIYFSFCBSA-N 477.580 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c1 1832634497 SWAGDIMKSGDKDF-FNZWTVRRSA-N 469.585 5.607 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)CC1 1832721855 JHVGBVXNNJZHHN-JOCHJYFZSA-N 493.873 5.529 30 20 JKED COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1F 1832751891 CBLRZWVXFAVKTD-DVECYGJZSA-N 477.580 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)CC1 1837475476 KDLVFPOIUFTGOA-UHFFFAOYSA-N 472.670 5.490 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)CC1 1838375422 GVQRDROCCFLENE-XMMPIXPASA-N 459.030 5.029 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)C1 1844635678 MPHXBNIBTRJQQU-UHFFFAOYSA-N 487.676 5.296 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC34CN(C(=O)c3ccc(C#N)cc3Cl)C4)ccc21 1844742986 VBBGSNMBXIFIKV-UHFFFAOYSA-N 496.998 5.470 30 20 JKED N#CCCN(C(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1cccc(Cl)c1 10258893 OENBNAHZEJIEDX-UHFFFAOYSA-N 481.550 5.452 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)nnc1-c1ccc(OC)cc1 10405650 IGRDZQAJLODTFA-UHFFFAOYSA-N 480.924 5.125 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3C2)nc2scc(-c3cccs3)c2c1=O 11072663 GAZCFJPBFCWZNQ-UHFFFAOYSA-N 485.681 5.111 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccccc2CC)cc1 11250432 QCPTUDCJKMBDOJ-UHFFFAOYSA-O 467.998 5.418 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11263797 QUWZQDSXMXNLDR-UHFFFAOYSA-O 481.632 7.330 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(N(C)C)cc1 14871813 MYAAYZIVJXXUJY-UHFFFAOYSA-O 480.657 6.320 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 15248370 KCMZMZZHFHVUCJ-UHFFFAOYSA-O 496.052 6.019 30 20 JKED N#CCOC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 21455358 PUMPPFYUPZAGCM-UHFFFAOYSA-N 475.353 5.069 30 20 JKED CCOc1ccccc1-c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 21480826 MNNFJGZENSOMEH-UHFFFAOYSA-N 454.577 5.068 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(Nc3ccccc3)s2)n(Cc2ccccc2)c1C 21741066 ZKQZNFQJTWZXFA-UHFFFAOYSA-N 474.615 5.351 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccccc2C(F)(F)F)cc1 22695078 ZKUXCHCJDUNIGE-UHFFFAOYSA-O 488.511 5.823 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnc(-c3ccccc3Br)o2)n1 24284148 VALBOMFTKVAEKM-UHFFFAOYSA-N 455.259 5.385 30 20 JKED CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3SCC#N)ccc2C)cc1 24400374 AXKNZQIHMJEPOA-UHFFFAOYSA-N 481.599 5.063 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1SCC(=O)N1CCc2ccccc21 24449377 UAOBPUIQHCEUCC-UHFFFAOYSA-N 494.538 5.168 30 20 JKED CC(=O)Nc1cccc(-n2c(SCc3ccc(-c4ccccc4C#N)cc3)nnc2C2CC2)c1 26140393 GYSTZFROIXUCCO-UHFFFAOYSA-N 465.582 5.934 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCOc3ccccc32)nc2scc(-c3ccccc3)c2c1=O 27117033 ROBPUORTYYUKSW-FQEVSTJZSA-N 489.622 5.043 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cs1)c1ccc(F)cc1F 58304177 DCRLHQBBMGYCLQ-GQCTYLIASA-N 458.873 6.402 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)o1 108198502 CVKGKVNFNNZJCW-UHFFFAOYSA-N 468.465 5.290 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)n2)cc1 108978326 OOWCPLYHMKMXGI-HSZRJFAPSA-N 483.574 5.146 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1-c1ccncc1 301142038 FDRPXXRWOGIFEG-OAQYLSRUSA-N 495.530 6.017 30 20 JKED Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccccc3S[C@H](C)CC#N)c(=O)c12 303344930 ZJVMIAKKJIHONJ-MRXNPFEDSA-N 474.611 5.466 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 478857860 PAQZATDCZXUGPI-UHFFFAOYSA-N 490.331 6.348 30 20 JKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2Cl)n1 480378462 ODAOYOAGPUREDO-IAGOWNOFSA-N 464.957 5.107 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(C(C)C)n2Cc2ccco2)c1 481147287 UQLDKRWWOMJMHO-LJQANCHMSA-N 451.596 5.087 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCc2ccccc21 484876857 DLJFAYCUKSCFQH-AZGAKELHSA-N 471.988 5.860 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1Sc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 489310172 BYSGAQNKXSNONQ-UHFFFAOYSA-N 478.509 5.007 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 498139269 ZVYOTHJVWZGXGV-UHFFFAOYSA-N 492.938 5.441 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)COc3ccc(Br)cc3F)c2)cc1 501468728 SBFRTTZDGWTKEW-UHFFFAOYSA-N 469.310 5.251 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c1C 503262806 YLYBKUITZLDKCX-UHFFFAOYSA-N 499.615 5.499 30 20 JKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)C[C@H](C)C2 509229540 BMFJPVOIJZAPGT-ONZPZFSWSA-N 455.558 5.361 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c2)c1 509571734 MNKFMUHFUQKQSE-UHFFFAOYSA-N 463.559 5.015 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC 510253382 JFLODJIOTPEDKQ-SFHVURJKSA-N 481.603 5.088 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N(CC)[C@H]2CCSc3ccc(Br)cc32)c1 510382942 WGRNSCYTRAJVQD-FQEVSTJZSA-N 489.435 5.428 30 20 JKED CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511498969 LXYWLFKIOTYPKD-UHFFFAOYSA-N 450.445 5.076 30 20 JKED Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1Oc1cccnc1 513878804 UKPHKCQUJOXZSR-UHFFFAOYSA-N 466.516 6.427 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)n2)cc1 517800954 RYWQYLXYKJQNTB-KRWDZBQOSA-N 474.343 5.324 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)c1 518128096 RISBUKURQNYHTB-HNNXBMFYSA-N 455.634 5.715 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1cccc(C(F)(F)F)c1 518158482 OMVIYXYXKJQJLR-IBGZPJMESA-N 463.525 5.553 30 20 JKED Cc1ccc(Oc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 518961644 TWEYEKVLOXUWCB-UHFFFAOYSA-N 467.485 5.725 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1 519872686 DDWBVGCPUCEPTQ-UHFFFAOYSA-N 459.428 5.328 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)n1 519944331 OHWOZEYAGNSDFC-CQSZACIVSA-N 461.326 5.909 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 520485023 HTSKVUJSIPGORW-UHFFFAOYSA-N 452.514 5.012 30 20 JKED Cc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1ccc(Br)cc1 520889533 LEUNMVOQRVKQRT-QGZVFWFLSA-N 464.150 5.245 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(COC(C)C)c2)nnc1-c1ccc(Cl)cc1 521250006 KGIMCDSJZKTKNQ-UHFFFAOYSA-N 456.999 5.440 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 521747810 AGFVPTICPVOQFS-KRWDZBQOSA-N 451.571 5.564 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](CN3CCCC3=O)c3ccccc3)cc2Cl)c1 524438046 LGSQZCQZBOCENA-DEOSSOPVSA-N 488.975 5.276 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 553070781 ACHGEESFKMLJOA-LIRRHRJNSA-N 477.417 5.880 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCC(=O)Nc1cccc(Br)c1 553660124 LVWLGEUURWCKCW-CQSZACIVSA-N 478.437 5.154 30 20 JKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590828191 SVEAQCYCRYOWAE-BETUJISGSA-N 452.345 6.226 30 20 JKED COc1ccc(-c2nc(NC(=O)CSc3nc(C)cc(C(F)(F)F)c3C#N)sc2C)cc1 591237550 AMNHJJFNNZXHDQ-UHFFFAOYSA-N 478.521 5.452 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1Br 603623235 OOOPYUSHNYLSNT-UHFFFAOYSA-N 452.308 5.088 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)cc2Cl)cc1 604027353 WCDOPCFHAPDOKK-QHCPKHFHSA-N 461.905 5.374 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 604119241 HNZXDJHQBKQOPR-UHFFFAOYSA-N 465.447 5.184 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604193472 LVMBECINFUOAAH-JOCHJYFZSA-N 479.989 5.494 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)cn2)cc1 604428440 XLVLYTXNYXBKRS-QHCPKHFHSA-N 488.956 5.305 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1Oc1ccccc1 608797672 PKZZCKJBMWJTTJ-IBGZPJMESA-N 478.508 5.354 30 20 JKED Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)c(C)o1 608995583 SPQNHIYEYYURAN-UHFFFAOYSA-N 492.963 5.640 30 20 JKED COc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1OC 609080649 QVZSSKYMKZRTDJ-UHFFFAOYSA-N 451.910 5.130 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)cc2F)c1 609104642 MKZOOWFKWXRAJF-UHFFFAOYSA-N 487.512 5.310 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C 609164132 HOUDKDODCRIVCP-VWLOTQADSA-N 493.998 6.642 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc(C)nc21 609174637 QYXYAFHSXRSXKN-CLOONOSVSA-N 453.546 5.284 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1sccc1Br 643092381 DWFRGVWNLOPSSX-UHFFFAOYSA-N 484.828 5.496 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 726322332 VJZUCJILTXREJQ-IVZQSRNASA-N 470.504 5.812 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc3ccccc23)N(CC[C@H](C)OC)C1=O 726394712 YKUIHANCBGZZOS-MHECFPHRSA-N 491.613 5.234 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1csc2ccccc12)c1cccs1 726414928 DKARUKYUQWIRLA-NGJUFUNESA-N 469.657 5.193 30 20 JKED Cc1ccc(N(CCC#N)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 726942242 ULLVGJHJPJNTOY-UHFFFAOYSA-N 460.456 5.085 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)c1 727489255 IWONDFUQEVKTRF-UHFFFAOYSA-N 474.941 5.487 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)cc2Cl)c1 727998792 CNOITRQNADWSBV-UHFFFAOYSA-N 473.960 5.555 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)cc1 728700328 OTBCJNCEHNHHQZ-GJUHEBOISA-N 468.365 6.745 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 729146781 YDVHTTMNUZUNNW-GOSISDBHSA-N 488.997 5.405 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cc(F)ccc2F)C1=O 729630960 IDJAFDPZIRQFRV-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944268 VEPRTANUXMTWAR-JTSKRJEESA-N 462.550 5.251 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N([C@@H](C)c2cccnc2)C1=O 730945115 NAEDDTXJKYHMCK-WCDPWEQKSA-N 494.642 5.303 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 731059580 FURUFYHVASWYMF-ZDUSSCGKSA-N 469.415 5.519 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2cc(Br)ccc2o1 731068671 HYEBZWDUNYBEGX-CYBMUJFWSA-N 473.348 5.243 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)nc1C 731224647 FRJBPYANGZZPHI-UHFFFAOYSA-N 494.671 5.600 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2)cc1F 731308874 RNNGTSXXJTXTAB-HSZRJFAPSA-N 493.560 5.009 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2cc(Cl)sc2Cl)nc1 744747723 YBTMYRMNJDWRCF-UHFFFAOYSA-N 469.419 5.501 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)cs1 745625934 GQUSXBVOZQFJHY-QINSGFPZSA-N 456.571 5.835 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(C)c1 746696983 XHYWIXULPLOQBL-QFIPXVFZSA-N 471.598 5.220 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c1 747112078 OIGBTMOIGRHMIY-QGZVFWFLSA-N 460.342 5.016 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@H](C)O1 747434960 UBAVODUFIVWRKY-PMACEKPBSA-N 457.599 5.716 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 750704694 ISNQPPFDOFGZOG-FQEVSTJZSA-N 487.434 5.113 30 20 JKED CCC(C)(C)C1C/C(=C/c2cnc3c(c2)c(C)nn3C)C(=O)/C(=C\c2cnc3c(c2)c(C)nn3C)C1 750899613 JMKLYMDCWOXCNQ-KGIZCEIGSA-N 482.632 5.749 30 20 JKED Fc1cccc(COc2ccc(C=Nn3c(S)nnc3SCc3ccccc3)cc2)c1 767184396 CISKVTGDAYXAJG-UHFFFAOYSA-N 450.564 5.459 30 20 JKED COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 779182027 CMHVNKKAFHOYAZ-KRWDZBQOSA-N 476.554 5.052 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 797185504 GRXUNPLVTOZJRF-NTMALXAHSA-N 459.420 5.529 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)ccc1Cl 800664147 XSQNQBJQKWUVSI-UHFFFAOYSA-N 499.898 5.289 30 20 JKED COc1cc(-c2noc(CON=C(C)c3nc4ccccc4n3C(F)F)n2)ccc1OC(F)F 836976208 AQBUIFVUFXEKDC-UHFFFAOYSA-N 479.390 5.032 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 837422652 MTWWXWFKTUJHQA-AUSIDOKSSA-N 458.587 5.420 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 837440478 XUPAVFFIOOZTNM-HXOBKFHXSA-N 494.567 5.698 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(Cl)c(Cl)c1 837527840 AIJCPXPTPCXHOR-LPHOPBHVSA-N 478.401 5.133 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)cc1Cl 837535379 DKEWXKLZPIGSLV-KSFYIVLOSA-N 495.004 5.465 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 837539884 QNLRLFIOSBVVQK-YCRPNKLZSA-N 482.968 5.596 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1OC 838505952 FEGGXKWZQOUIEC-LJQANCHMSA-N 490.423 5.218 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccc2)C1=O)Nc1ccccc1F 838545387 RFAJOPHSAJXEEZ-NRFANRHFSA-N 469.488 5.264 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(Cl)cc2)c1 912825199 LBKMOAIHGJYIQX-UHFFFAOYSA-O 467.014 5.666 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccccc2CC)cc1 912832027 DWIDAHCJXQTDAZ-UHFFFAOYSA-O 460.623 5.583 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](c2ccccc2)c2ccccn2)nnc1-c1ccc(Cl)cc1 914449858 SJOLVDSFRSGFGA-QHCPKHFHSA-N 476.989 5.604 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O 914537783 FCWIWUPDCVYPKG-ICSRJNTNSA-N 475.586 5.220 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 914680357 SCHNBCDCSYFWAM-AWEZNQCLSA-N 491.491 5.124 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](C)Cc2cccs2)C1=O 914694343 HUEMOJGXWYLIAD-VGOFRKELSA-N 479.627 5.348 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 915086943 OBJZFJQMTPNBQU-HHHXNRCGSA-N 481.577 5.419 30 20 JKED CC(C)(C)OC(=O)N1CCC(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1 915104919 XFRBOXMJINFTOX-CQSZACIVSA-N 453.486 5.138 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N2CCCC2)c1 915353433 UDADWOLJLWRWTQ-RRPNLBNLSA-N 454.574 5.309 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC 915600334 OLMXPFLLPNKYHM-HZMYXVCSSA-N 456.542 5.403 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(COCc3ccccc3)c2)cc1 915763865 KXSXMVLDICVHAM-LJAQVGFWSA-N 489.575 5.314 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CCC#N)Cc2cccnc2)c1=S 915796037 QPZFMMOYDQJVNY-WAGURGNTSA-N 478.691 5.908 30 20 JKED COc1cc(C=NNc2nccc3sccc23)ccc1OCC(=O)Nc1ccccc1Cl 915979877 MTPXZCGSASDNEZ-UHFFFAOYSA-N 466.950 5.422 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccco3)C2=O)c1 916208093 SXTWLTBUYNXNFJ-QHCPKHFHSA-N 493.585 5.074 30 20 JKED CCOc1c(Cl)cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1OC 916333450 LUVZCPIMNZQCBL-UHFFFAOYSA-N 457.770 5.484 30 20 JKED CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 916519777 JWOVXHDXZHZMQH-NRFANRHFSA-N 468.985 5.516 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Cl 916683773 IZDYULDGHJBCSC-DEOSSOPVSA-N 471.944 6.528 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916719634 GCYAQMWGXGGGHA-UMNLNUJHSA-N 499.662 5.114 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 916884758 FXJMDBRLXIDBBF-SFHVURJKSA-N 483.311 5.475 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1Cl 916939913 VEAWBNXJBZHUKR-FQEVSTJZSA-N 486.915 5.335 30 20 JKED N#C[C@@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946033 ISVBHCBKPRSSCT-SFHVURJKSA-N 494.787 5.572 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)cc1 916955521 RFXXKTLSKZRZTR-MGPUTAFESA-N 471.586 5.480 30 20 JKED C=CCn1c(SC[C@H](O)c2cc(OC)ccc2OC)nc2scc(-c3cccs3)c2c1=O 916976631 VMZHSLUOPHEGAM-KRWDZBQOSA-N 486.640 5.215 30 20 JKED COc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996562 LGHHXCLTJCGHRO-SJCJKPOMSA-N 463.411 6.483 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2ccsc2)C1=O 917674427 PZEWFBFHSZFVON-JOCHJYFZSA-N 479.627 5.534 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 917683307 VGUNGCQSAJQNSM-NTKDMRAZSA-N 487.629 5.178 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1cc(Cl)cc(Cl)c1 917695421 NAKXMNJGAGUIES-FQEVSTJZSA-N 494.444 5.188 30 20 JKED CSCc1c(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)oc2ccccc12 917808978 XPTDSLODTQXJGP-ROMGYVFFSA-N 485.631 5.141 30 20 JKED COc1ccccc1[C@@H](C)N(C)C(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 918804505 YJRJRUDNTHWIFQ-LJQANCHMSA-N 474.582 5.236 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1nc(-c2ccccc2)cs1 919514978 KGKNXDAXOUFPFY-INIZCTEOSA-N 473.510 5.038 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 920144174 YLVJOGGJLANYSK-LJQANCHMSA-N 463.946 5.936 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)n1 920327584 WKZGAHCHVJBWAG-KXADJEHUSA-N 462.615 5.651 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C(F)(F)F)c2)no1 920352945 WBWWZFNUKFTWFE-LJQANCHMSA-N 488.491 5.162 30 20 JKED C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)c(Br)c1 920800346 MKGCSBLWVMQPGY-CYBMUJFWSA-N 488.313 5.229 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccncc4-c4ccccc4)CCC3)cc2)cc1 1785882863 JEMHKDSITZXARX-UHFFFAOYSA-N 486.575 5.611 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CCC2)cc1 1786676335 IHUZFACGHJBGIL-PMACEKPBSA-N 456.558 5.122 30 20 JKED Cc1nscc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1787193625 IRPIFKCKEQKZEZ-UHFFFAOYSA-N 484.503 5.404 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)cc2c1 1789241581 DDFVYBQPMIZPRA-UHFFFAOYSA-N 465.509 5.375 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(NC(C)=O)c3)CCC2)cc1 1789457947 HUIHZPIDAZFEPF-DEOSSOPVSA-N 459.590 5.470 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3scnc3C3CC3)CCC2)cc1 1789507810 XAEAJCUYMZAIHI-UHFFFAOYSA-N 479.722 5.819 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CC3(C)CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789628185 NSQGDMJGKWBMJJ-UHFFFAOYSA-N 497.680 5.760 30 20 JKED COc1nc(C)ccc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1789873944 RFBSBKPRSICSIC-UHFFFAOYSA-N 477.681 5.197 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4C(F)(F)F)CCC3)cc2)c1 1790258476 YCCWRFATLNCSCH-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4cc(Br)cnc34)cc2)CCC1 1790964362 UTILUXRLKVZQOE-UHFFFAOYSA-N 490.401 5.549 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cc(Br)ccc1F)C2 1792567556 MOJOLKJXFQZZCD-ACDBMABISA-N 479.434 5.151 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2)c1ccccc1 1795575406 ZSBDWLOQDJSAFE-NMQPQYALSA-N 457.618 5.395 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccccc1)c1ccc(C#Cc2ccccc2)cc1 1795685890 HRLBYJCPEGLFTP-LGKQTMLJSA-N 480.633 5.131 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1802494609 DFOXSXFTMXETPF-SIKLNZKXSA-N 474.432 5.700 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1802503766 UERPNHFKNGWJIQ-RPLLCQBOSA-N 482.628 5.456 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1808900343 DDLWIOKMQDAWNG-NVQXNPDNSA-N 493.051 5.533 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1810177958 JPPIDVYQYIRQME-OKKOYFSCSA-N 477.571 5.225 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cccc(Cc4ccc(F)cc4)c3)[C@H]2c2cccnc2)C1 1810469902 OVSKZBNCWKSIDR-LEAFIULHSA-N 483.587 5.097 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1810489355 LJCDSUYMCFMVQN-GBXCKJPGSA-N 479.024 5.528 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4[nH]c5c(Cl)cccc5c4C)C3)CC2)c1 1810731750 MABMJRRVANUOGW-UHFFFAOYSA-N 489.019 5.468 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811439146 OKXQDPXDWXOQSV-HFASVGIHSA-N 497.614 5.976 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811723456 ZPVJWQWKADCYEN-PXDATVDWSA-N 491.538 5.405 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1812683297 LJJWEORDHIQRQD-XUZZJYLKSA-N 495.501 5.312 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1812958726 AGSSVQZUDHOLPC-STXQHDJLSA-N 477.624 5.435 30 20 JKED Cc1cc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c(C)c1 1813787545 QUXDKSDOMLWDQD-NVQXNPDNSA-N 487.003 5.165 30 20 JKED CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)[nH]n1)c1ccccc1 1816741203 ANVCPSLFHSVTFZ-VWNXMTODSA-N 455.562 5.090 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679078 GCOGTJZAZYUWAF-GOSISDBHSA-N 469.998 5.172 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1818115328 BCSLNKKJRUDGAR-FYCOFBDGSA-N 480.571 5.024 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818813265 QRIUJKDODLMCJC-NMXNWIABSA-N 483.503 5.186 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971731 NEGJQFHPLZWVOO-QHCPKHFHSA-N 477.996 5.419 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)Sc2cccs2)n[nH]1 1819257003 XHJCGWSHNWITGI-LMMKCTJWSA-N 458.653 5.413 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)[nH]n1 1819305943 RRABQDHVWBQLCO-UTKZUKDTSA-N 463.607 5.402 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932123 SMDQSAQNUYJPAC-CTNGQTDRSA-N 475.618 5.608 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(Br)cc2C)n[nH]1 1820316397 XSLYPJCQRWLUNC-MRXNPFEDSA-N 477.428 5.042 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1820653670 FICWFNFXFMAZLA-FQEVSTJZSA-N 498.370 5.216 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)n[nH]1 1820668679 RNZUVHXAQLFYJN-IBGZPJMESA-N 474.646 5.152 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)n[nH]1 1821088116 SDFSQTOAWAYGHJ-GUYCJALGSA-N 452.452 5.086 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)n[nH]1 1821269801 ITZBRDVKQOYROB-MRXNPFEDSA-N 496.440 5.108 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821309188 YMTXTBVRXBTSBB-QGZVFWFLSA-N 497.468 5.287 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1)C(F)(F)F 1822283055 QZMZUUAMMFUOKN-IBGZPJMESA-N 480.556 5.152 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1822381782 UCBBSOCHQHRFQN-UZUQRXQVSA-N 485.613 5.249 30 20 JKED COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)[nH]c2c1 1823215513 TZGCHHDXQZQYKS-CRICUBBOSA-N 496.571 5.146 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823216756 NRSHJXSEFORUGB-CJFMBICVSA-N 469.589 5.284 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 1823286339 YLTGLMOJHUSXPT-RUZDIDTESA-N 472.589 5.365 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823308958 HUKLTBZOEXVJSC-OAHLLOKOSA-N 468.772 5.226 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=Cc3ccccc3NC(=O)C2)CC1 1823754102 YATACJODOJDUFO-RUZDIDTESA-N 477.649 5.024 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1824540633 MKVDIAWBYQDJII-DHLKQENFSA-N 495.714 5.637 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1825565824 AEHLYJLFOYKFGR-IRLDBZIGSA-N 475.077 5.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1826383502 YDEKHLGFNZHXHY-CLJLJLNGSA-N 480.649 5.046 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827682619 HVRYJAPJDQTRMW-UHDKANCKSA-N 480.630 5.112 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1827683894 OSPDRMLIBARICH-UPWIVDSGSA-N 484.706 5.713 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828498218 KEEOQSYXBDNQEO-SANMLTNESA-N 480.052 5.624 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)cc2c1 1828524387 KAQXPOHCTLBGJB-SANMLTNESA-N 499.611 5.179 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1828824409 JTXJNVKIMDUQKR-SHQCIBLASA-N 461.650 5.489 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1828824625 NERBRQYTADHRRK-UGKGYDQZSA-N 486.081 5.951 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828828448 KKQSCBQMFQGXGJ-SQJMNOBHSA-N 468.041 5.823 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)cc2)CC1 1828904107 PBDMSTCEUOCSAM-VWLOTQADSA-N 470.705 5.039 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1828906382 JHFRGYCTPRNCLB-XMMPIXPASA-N 495.765 5.581 30 20 JKED CN(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1828906849 LLKSPABKSUUEFE-AREMUKBSSA-N 481.757 5.037 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)CC2)C1 1829581234 VRIZONLVFXKADM-JOCHJYFZSA-N 461.631 5.354 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829610490 VXPMWTZUYJIBGD-VWNXMTODSA-N 487.648 5.008 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3F)CC2)c1Cl 1829692979 RKYOBFAXQTZBCF-XMMPIXPASA-N 481.999 5.217 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1 1829900747 OVVYKWGODJQYDW-MHECFPHRSA-N 481.999 5.653 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)c1 1829955200 YYVAZCZJWYZKAU-KVVRFYPFSA-N 461.650 5.398 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)CC1 1830465362 LVJYRVRFKZCKSR-ZEQKJWHPSA-N 495.067 5.527 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830493936 PARVRERMYBZXAO-GRDXZWITSA-N 499.611 5.424 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(O)c2)CC1 1830581057 RTZHYMHBHSRJGC-IRLDBZIGSA-N 489.454 5.156 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1 1830770196 NTURAFXAWOPAKI-VWLOTQADSA-N 455.558 5.160 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1)C(F)(F)F 1830977330 CSKKGZZTHSPGJY-JOCHJYFZSA-N 499.533 5.780 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 1831211784 LYSVLCAOEJLONX-ZNZIZOMTSA-N 486.100 5.331 30 20 JKED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1831326143 FWQDDLIXCMDLLH-AREMUKBSSA-N 466.581 5.499 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1831371060 SVGLMJWRVNEZLR-DFBJGRDBSA-N 481.587 5.472 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1)C(F)(F)F 1831455145 GVPMRERSCKGYQW-NRFANRHFSA-N 493.570 5.023 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)CC2)C1 1831719123 PFWWWXRJYOOLBL-SMIHKQSGSA-N 485.466 5.139 30 20 JKED C[C@H](Cc1ccco1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635785 RZEKGBCWSZODQZ-SWYRRKHMSA-N 461.606 5.019 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832635893 XXBYELBEYIBCDY-HXOBKFHXSA-N 499.989 5.792 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832666947 QKHRSAYMWTUPSW-CYFREDJKSA-N 494.035 5.523 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1832677346 DFQKSCCLRFBTCC-DEOSSOPVSA-N 462.638 5.302 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832687922 GASFCIMRQYMZKG-SIKLNZKXSA-N 464.984 5.620 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832713152 LHAOFXONCSLHCC-PMACEKPBSA-N 475.457 5.320 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 1832828172 RQQNBEOBPUKYCD-FQEVSTJZSA-N 499.371 5.115 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(C(F)(F)F)CC1 1847989009 JHPOUUUFJYDXST-YCWMGOOZSA-N 480.424 5.029 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(N(C)C)cc2)cc1 10827153 BBFIIWRKQCXJKM-UHFFFAOYSA-O 453.031 5.868 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(CO)c2)c(C)s1 11114345 PPGOTCUMMYDQML-UHFFFAOYSA-O 479.619 5.510 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccc(Br)cc1 14081415 UNLPLQPKZYNDGO-UHFFFAOYSA-N 498.233 5.931 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 16150324 BSAAOWCFCSHRPY-HSZRJFAPSA-N 476.920 5.063 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2sc3c(c2c1=O)CCCC3 16715426 UMOFFKWUWSQVEG-ZDUSSCGKSA-N 493.576 5.661 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc2ccccc2c1 20990648 BNUKHHSHXURYMU-KRWDZBQOSA-N 462.550 5.455 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22799818 ARMYJGACKXHWKM-UHFFFAOYSA-O 490.023 6.717 30 20 JKED C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(=O)N(CCC#N)c1ccc(F)cc1 26998152 OWENYWMVIZGZFI-KRWDZBQOSA-N 499.015 5.087 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)n1 27431257 ZVSQPXUTQMBLTR-UHFFFAOYSA-N 483.519 5.350 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 29152603 VYGGYVGRCGUYHB-UHFFFAOYSA-N 450.892 5.410 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ncc(-c2ccc(C)cc2)o1 72055941 BWCNIYKJJBMSNB-UHFFFAOYSA-N 457.343 5.699 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1Cl 107648220 NUBSPYOJIJISDK-QFIPXVFZSA-N 471.969 6.562 30 20 JKED Cc1ccccc1-n1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2c1CCC2 109183406 WUCCRSJRULRUEV-UHFFFAOYSA-N 462.553 5.567 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 195722227 YFWRNULVFOCEKR-HXUWFJFHSA-N 457.386 5.140 30 20 JKED C=C(C)COc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 303137945 DEJNQFILJIVLEK-UHFFFAOYSA-N 460.559 5.272 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCc2ccccc21 484876858 DLJFAYCUKSCFQH-RSXGOPAZSA-N 471.988 5.860 30 20 JKED Cc1ccc(Cc2cnc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)s2)cc1F 487357991 TXSPTPUZNQSBER-UHFFFAOYSA-N 491.548 5.156 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccnc2)Cc2ccco2)nnc1-c1ccc(Cl)cc1 498445512 QWXARUFABGOREM-UHFFFAOYSA-N 479.993 5.094 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 499381915 FWKIDLBJDBHDNG-MRXNPFEDSA-N 488.082 5.552 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)ccn2)cc1 500219752 MRQJERNXHOHECT-UHFFFAOYSA-N 494.551 5.849 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 500329103 ZOAZJYYZHCZBFI-UHFFFAOYSA-N 456.373 6.137 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 501018328 LPGCWNBDEAZINA-UHFFFAOYSA-N 498.461 5.528 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCOc1ccc2c(c1)CCC(=O)N2 501162582 PGKOXKCFMOVHBU-UHFFFAOYSA-N 471.532 5.283 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 501969426 HISCIQFPPAVYIO-UHFFFAOYSA-N 470.346 5.013 30 20 JKED CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 506147754 ZZZFTZKSAOMGGX-UHFFFAOYSA-N 464.319 5.110 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 507315999 STRQSXKOARJPLW-SZPZYZBQSA-N 485.653 5.390 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 508419828 RDEDYDDZYPKOIY-FQEVSTJZSA-N 479.652 5.582 30 20 JKED C=CCn1c(S[C@@H](C)c2nnnn2-c2ccccc2)nc2scc(-c3cccs3)c2c1=O 509622012 SDCXTZAEFAKYEA-AWEZNQCLSA-N 478.628 5.202 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccc(F)cc1 510578826 JBKFWWJTBUYZTK-IBGZPJMESA-N 478.515 6.044 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Br)s1 513656108 XWOOGDCUNPZVGC-MRXNPFEDSA-N 496.386 5.475 30 20 JKED Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 515616794 KSJSBLDQWHMCCJ-UHFFFAOYSA-N 457.530 5.354 30 20 JKED CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 515796780 OYCIKJKVFPVYTP-UHFFFAOYSA-N 468.985 5.553 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(Cc4cn5ccccc5n4)CC3)cc2Cl)cc1 515797164 IJYQOKDFPMOJFB-UHFFFAOYSA-N 486.963 5.001 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc(-c3ccco3)nc21 518642830 PEDVBLDMTUKRMX-KRWDZBQOSA-N 454.515 5.281 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cc2Cl)cc1 518668178 VBOXQQXGINTFLI-NLFFAJNJSA-N 489.959 5.227 30 20 JKED COc1ccc(-c2cc(C(=O)N(C)c3cccc(C#N)c3)c3c(C)nn(-c4ccccc4)c3n2)cc1 518706386 LIPJFYQCKVWMOI-UHFFFAOYSA-N 473.536 5.553 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Sc3nncs3)cc2)cc1C 518894124 NDLCQLBMCVFSHJ-UHFFFAOYSA-N 460.588 5.336 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)c1 520097397 CNJDQRIHKODHDM-SYURHXKASA-N 485.049 5.372 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 520141141 DSXZHQLYZAJNJW-JLPGSUDCSA-N 479.605 6.322 30 20 JKED C=CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 520690804 OYVJFXXMIIOMBW-UHFFFAOYSA-N 451.401 5.709 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 521260159 XRRDXEAGZMVNJV-OXQOHEQNSA-N 490.551 5.442 30 20 JKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nc2sc(C)c(C)c2c1=O 522486798 VCDHPSMHTNJBBU-UHFFFAOYSA-N 479.414 5.910 30 20 JKED N#Cc1ccccc1Oc1ccccc1C(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 594669891 XNEKIBIXEQFJTR-BDGPUAICSA-N 463.581 5.333 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)nnc2N2CCCCC2)cc1 598892778 KDIZPRDLUSSZDA-FQEVSTJZSA-N 492.624 5.133 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)cs1 603739201 ZCFHDOVWTOERAZ-UHFFFAOYSA-N 472.595 6.364 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 603739776 CDPNSPAHLUWLGV-UHFFFAOYSA-N 488.503 5.103 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCN(CC3CCCCC3)CC2)cc1 604085764 UKJCHRLYDVZQRA-UHFFFAOYSA-N 460.622 5.452 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604132723 FPZBDIUFSOMPLD-RUZDIDTESA-N 456.546 5.321 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1C 604450758 XZCWMZIJBGCZCS-UHFFFAOYSA-N 467.548 5.631 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604456683 AHWMKCQFVLVUBK-QHCPKHFHSA-N 475.932 5.256 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 608942614 UNDXOGXIWGHCBN-UHFFFAOYSA-N 498.583 5.262 30 20 JKED COc1cc(C#N)ccc1OCC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 609066946 WHPMVEHDBULFNX-UHFFFAOYSA-N 456.420 5.182 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OC(F)F 609123995 LWGJWWMVKKGOSB-UHFFFAOYSA-N 485.462 5.550 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 609175430 DGFKBQKUYIKNHN-UHFFFAOYSA-N 461.484 5.078 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCO[C@H](c4ccccc4)C3)cc2Cl)c1 609254058 HLFDNCJKMBHGMD-VWLOTQADSA-N 461.949 5.786 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 609370744 TWSCRNHASCRWHY-CYBMUJFWSA-N 459.597 5.546 30 20 JKED Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2n1 609370856 CRCAEGVNKANGIK-ZDUSSCGKSA-N 460.386 6.119 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 609436078 GDTMVLSVNPIPTE-KRWDZBQOSA-N 462.550 5.794 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 609439406 NOPZAGJIDTXNKA-UONOGXRCSA-N 450.391 5.246 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1OCCOc1ccccc1 613290742 KYAFPPSSXXVSKP-HSZRJFAPSA-N 452.510 5.581 30 20 JKED C=CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 613347292 YMTFYGHYNDYZEM-INIZCTEOSA-N 459.354 6.180 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1nc2ccccc2n1C(F)F 613404376 QAIJCGKSMUCEBI-AWEZNQCLSA-N 499.271 5.529 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 613908659 XJPZGBNVAQYLGE-QGZVFWFLSA-N 497.020 5.754 30 20 JKED C=CCn1c(SCc2sccc2Br)nnc1[C@@H]1COc2ccccc2O1 620229758 GXIBUFWCNCQYAW-HNNXBMFYSA-N 450.383 5.093 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 642281463 GDCRDLSTEFMEHN-ZLBKBPMGSA-N 475.614 5.218 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2ccc(F)cc2)C1=O 726419447 FKTYKHDEJWPIGS-NXBLHBGRSA-N 497.617 5.486 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CCCC1)c1cccs1 726420908 JVTUJDDJMBBOTL-ZIAPORJASA-N 463.575 5.359 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@@H](C)c1cccs1 726421648 RHPWDJIGTBQZOI-YYSWSUMISA-N 496.427 5.186 30 20 JKED Cc1cc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 726570208 XLNVSIIMPIEBPV-UHFFFAOYSA-O 483.617 5.016 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2C)c1C 727252291 CMRGMQFIAWBXGU-QHCPKHFHSA-N 493.608 5.128 30 20 JKED C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1Cl 727264683 UXQDBDQJVIXAJZ-ATVHPVEESA-N 462.358 5.754 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 728182263 FZLGRJOHQUGFNI-UHFFFAOYSA-N 489.509 5.060 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccs2)cc1 728423083 OSJRCPCUIQXLAH-OAQYLSRUSA-N 460.584 5.089 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCCC#N 728775881 DVLYTIQCKHTAEQ-HXUWFJFHSA-N 452.555 5.097 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCCCC#N 728776301 OTRQZTNBAWVVMQ-FQEVSTJZSA-N 470.545 5.236 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(CCCCC#N)C2=O)cc1 728778673 UIDPZHBMMPPSOU-QHCPKHFHSA-N 478.618 5.356 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)c1C 728778687 UNKNBKVIFSBSQR-HSZRJFAPSA-N 477.634 5.024 30 20 JKED C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 729037146 WGMMSRWJEIEZMI-UQBPGWFLSA-N 460.528 5.531 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)CC34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)c1 729415734 BSTOHVTVNBNRRM-UOYQGRGCSA-N 457.412 5.052 30 20 JKED CCCCCCCCc1nnc(NC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)s1 729547394 JMJVEHCEOMRMGN-UHFFFAOYSA-N 464.680 5.069 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 729631278 GJCOMPCWIHPUOV-XMMPIXPASA-N 470.598 5.039 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730484699 AYJBTFKMICOWBY-UHFFFAOYSA-N 461.493 6.397 30 20 JKED CCc1cccc(C)c1NC(=S)NN=Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 730575796 WBRXBHFDRVYIHP-UHFFFAOYSA-N 465.648 5.636 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3cocn3)C2=O)cc1Cl 730728561 AKKYUWVPLSZOTE-JGUOVXTESA-N 489.022 5.288 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2ccccc2Sc2ccccc2C#N)C1 730985671 SLTVILKVQQKUQY-LJQANCHMSA-N 465.619 5.476 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c1C 731308590 OAMRTVGWONTFDS-FDDCHVKYSA-N 474.586 5.126 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2cccs2)c1 731315564 IIIDTFMPRXPAGP-GAJHUEQPSA-N 489.622 5.027 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccccc2S[C@@H](C)CC#N)c1 731320010 JOMVJRRQCHTXFJ-KRWDZBQOSA-N 476.693 5.229 30 20 JKED CC(=O)Nc1cccc(Nc2nn(CN(Cc3ccc(C#N)cc3)CC(C)C)c(=S)s2)c1 746055901 KIIUUOSGZZXFGA-UHFFFAOYSA-N 466.636 5.363 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 746694354 ZEYWSLYHFATFIL-QFIPXVFZSA-N 483.609 5.090 30 20 JKED C=C(C)COc1cc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)ccc1OC 747063975 SCFRQQFLIODOPE-YBFXNURJSA-N 469.994 5.477 30 20 JKED C[C@@H](OC(=O)c1cnc(-c2ccccc2Cl)s1)C(=O)N(CCC#N)c1ccc(F)cc1 747952369 NAPRQQYGGRYKGP-CQSZACIVSA-N 457.914 5.095 30 20 JKED N#C[C@H](Cc1ccccc1)OC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 750062775 NXIYJALGLAPMCG-SFHVURJKSA-N 475.353 5.086 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 837302027 PLZUVHSAVBWIGZ-BVZFJXPGSA-N 498.583 6.095 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@H](C)c3ccccn3)C2=O)cc1 837302420 WQTIVHQQYQBGCV-VGOFRKELSA-N 462.550 5.251 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCN(C(C)C)CC2)c1 837399230 UZTAPLVQXSKXMS-VWLOTQADSA-N 492.689 5.445 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N([C@H](C)c2ccccn2)C1=O 837641611 OLGJIHOHCZKGKR-NTKDMRAZSA-N 488.613 5.429 30 20 JKED COCO[C@H](C)c1cc(F)c(CNc2ccc(Br)c(C#N)c2)cc1Br 864013478 UAPKUXKCPBKYIJ-LLVKDONJSA-N 472.152 5.516 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1C 914544070 QVOAUGKTYUZWMQ-QFIPXVFZSA-N 492.576 5.007 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCC(C)C)c1 914555727 LEFGSVFDEOCBHK-QFIPXVFZSA-N 466.607 5.042 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@H](C#N)c1cc(C)nc(C)n1)c(C)n2C(=O)c1ccc(Cl)cc1 915103439 UCNWDBXZOUKIHR-HSZRJFAPSA-N 486.959 5.126 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 915782378 ZVSSUSJYYIWKLN-RBISFHTESA-N 473.576 5.617 30 20 JKED COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc(Br)cc1Br 916140416 SPQPXAKYOWZMFI-DAXSKMNVSA-N 456.130 5.134 30 20 JKED CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 916152878 VZNPZFPUYJFTPJ-NTUHNPAUSA-N 486.933 5.187 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O 916211361 MXQJFGWKVXMDCI-DEOSSOPVSA-N 488.613 5.073 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1nc2ccccc2s1 916847591 KPIAFTPJXGPCLH-OAHLLOKOSA-N 480.343 5.323 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1 916885020 KMJZABQNPQYENI-ZHHWYLJYSA-N 460.761 5.738 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906095 BOMPZTWBCWWICS-XMMPIXPASA-N 498.970 5.825 30 20 JKED Cc1nc(-c2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907211 XCWOZWBBWAFFKZ-HXUWFJFHSA-N 453.523 5.872 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cc1Cl 916928583 OFKVBYGFGACGHC-RCMYXZNBSA-N 459.329 6.222 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916944295 BCTKJWQZSRUVRO-KRWDZBQOSA-N 458.326 5.268 30 20 JKED N#C[C@@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 916944681 KVWKEBWQIDDBAJ-ZDUSSCGKSA-N 469.300 5.005 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 916954017 PJXZFXSDENNFOJ-IBGZPJMESA-N 465.849 5.010 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997822 YOAOMDXXBBFJOO-YLJYHZDGSA-N 470.381 5.598 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044823 VIRDIHLWLDBDEN-YOEHRIQHSA-N 472.492 5.435 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(Oc3ccccc3)c(F)c2)cs1 917560197 IYWBDPOORLQFCK-RAXLEYEMSA-N 476.504 6.794 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(SC(F)F)cc1 917653474 OZCWKZCQJLCJJE-GOSISDBHSA-N 478.590 5.048 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2ccc(C#N)cc2)C1=O 917660336 BGIOPHDPJYYSGT-RUZDIDTESA-N 498.608 5.344 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917660752 LLGUGIVPCWMBBG-DSITVLBTSA-N 490.673 5.199 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N([C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917674259 PSAINBRKYKZVID-LSQMVHIFSA-N 490.673 5.199 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCN3CCC[C@H]3C2)C1=O 917674664 PCLOTFRUBAPCTN-MZKRTTBSSA-N 497.064 5.236 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1C 917675278 VTODQPNNMIILOI-HXUWFJFHSA-N 493.551 5.319 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N([C@H](C)c3ccccn3)C2=O)c1 917703012 KPSOLFLGZIPLBZ-NTKDMRAZSA-N 483.597 5.292 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CC2CC2)C(=O)N[C@H]1c1cnc(-c2ccccc2)nc1 918076615 RKMNVVPUISISTH-QHCPKHFHSA-N 458.949 5.274 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-])c1ccccn1 919712382 HSTQZUVTFUTCHK-NTKDMRAZSA-N 477.524 6.071 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-])c1ccccn1 920109831 JSKPQRGUCATGPG-DYESRHJHSA-N 479.496 5.277 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3cc(Br)ccc3OC)n2)cc1 920143392 PPCNHHVEGQXMSB-SFHVURJKSA-N 499.386 5.429 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)n2)cc1 920144236 YYIFFJXQTSNMHG-RTWAWAEBSA-N 477.586 5.131 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@H]2CCc3cc(F)ccc32)C1=O)NC1CC1 920169298 DURJCFOCAIPZLE-VQTJNVASSA-N 491.510 5.132 30 20 JKED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1Oc1ccc(Cl)cc1 920292710 SYNIXFWRTRWADH-UHFFFAOYSA-N 498.004 5.370 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920323784 JTYUVHZJGVMZFD-RUZDIDTESA-N 456.505 5.654 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 920356328 SEACTZJELKPZHE-HXUWFJFHSA-N 468.966 5.105 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1C 920893015 AFBSCEOVMQOTIV-QFIPXVFZSA-N 492.579 5.932 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1-c1cccc(C)c1)C2 1779510519 DMMSOISBULIVHF-PDDLMNHVSA-N 489.660 5.177 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(Cl)ccnc3c1)C2 1779512278 SHZGPCRMRFEKAI-YIXXDRMTSA-N 484.040 5.008 30 20 JKED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C2 1782191930 DLTRHLHBYJVUME-FYBSXPHGSA-N 480.693 5.213 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)cn1 1785777888 IJWKWAASNFHRPH-UHFFFAOYSA-N 492.583 5.189 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](c4ccccc4Cl)N(C)C)CCC3)cc2)C1 1785810223 FCASWNGISLDTNR-QHCPKHFHSA-N 451.998 5.043 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)CCC3)cc2)cc1 1785881464 AUGGDSWTPOAFAW-QKDODKLFSA-N 479.605 5.123 30 20 JKED Cn1ccc2cccc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(C#N)cc5)cc4)CCC3)c21 1785881873 UBCABCAUTNCXQY-UHFFFAOYSA-N 462.553 5.040 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)CCC1 1786000690 SBCRJXWGFLTSIJ-OUKQBFOZSA-N 498.560 5.041 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786175467 WIPKOPYYKSZYMW-FGZHOGPDSA-N 468.544 5.185 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3)cc2)CCC1)c1ccc(O)cc1 1787302690 WZCAPIZTZXQXSZ-QFIPXVFZSA-N 467.569 5.041 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc5sccn5c4)cc3)CCC2)ccc1F 1788412358 SJPQICVLUXXLFA-UHFFFAOYSA-N 472.545 5.002 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cc(Cl)ccc34)cc2)CCC1 1789350946 RSKIYSKOUZWQMW-UHFFFAOYSA-N 458.896 5.175 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3Br)CCC2)cc1 1789456265 PVOUKNAWNVYPFP-IBGZPJMESA-N 468.395 5.360 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)CCC2)cc1 1789496456 WSQBSAKOVMLWCN-NRFANRHFSA-N 490.522 5.035 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c3CCc3ncccc3-4)cc2)CCC1 1790019578 PKLVRVXYASGCNS-OAQYLSRUSA-N 481.600 5.086 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC2)cc1 1790519533 DUTJERFEIOHGPZ-ZRBLBEILSA-N 481.637 5.026 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3sc(-c4ccccn4)nc3C)CCC2)cc1 1790568529 UBCVDGXYIWYLPQ-SFHVURJKSA-N 491.617 5.062 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(OC)c3)cc2)CCC1)C(F)(F)F 1790647227 ZCICIYQKHRDTLU-UHFFFAOYSA-N 497.311 5.324 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)cc2)CCC1 1790692011 FGCMHPMOQLVOGS-UHFFFAOYSA-N 495.645 5.701 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c(Cl)cccc45)cc3)CCC2)cc1 1790846313 JRMHKKNFXNDCSJ-UHFFFAOYSA-N 483.959 5.344 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3csc(-c4cccnc4)n3)CCC2)cc1)C(F)(F)F 1791303478 ZHUZTVJPZXWBPY-UHFFFAOYSA-N 472.492 5.071 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc(Cl)n4)CCC3)cc2)c1 1792123161 KTACYULYGPVFJV-SFHVURJKSA-N 472.976 5.352 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ncn(C)c4C(F)(F)F)CCC3)cc2)c1 1792123460 CNPMYFPJWOXZJK-INIZCTEOSA-N 495.505 5.127 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CS[C@H]4CCCCO4)CCC3)cc2)c1 1792124900 OPYAWMUWTNIFIM-CLOONOSVSA-N 477.630 5.321 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1 1792471306 YNQMFLCBOAPUMC-UEQSERJNSA-N 474.004 5.270 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1ccc(Br)cc1)C2 1798335904 XGYMGGWZFSXRJP-ADYITMSISA-N 489.454 5.015 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Br)c4ccccc24)C3)c1 1799602183 ZLFXKOXUNZWQLS-ACDBMABISA-N 488.385 5.040 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(C#N)c1 1800630279 BXHJGGMVBPPGGV-REPLKXPHSA-N 498.421 5.085 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1802493487 YZCDYZIUNIMTJE-NVQXNPDNSA-N 488.607 5.528 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC)cc2Cl)[C@H]1c1cccnc1 1802501804 CLCBLWKQUNYEOY-XXBNENTESA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)CC2)C1 1804859598 CYESVAGRJFCSSS-DNQXCXABSA-N 452.639 5.022 30 20 JKED N#CCCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1806870264 YALCRNZEODQMGQ-UHSQPCAPSA-N 474.649 5.365 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ncsc23)[C@@H]1c1cccnc1 1809964139 TYGIFWUOIAUMIH-UGKGYDQZSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@H]1c1cccnc1 1810173061 DWLMQWAMAZQJMF-BDBHHUNTSA-N 498.627 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2ccc(C)cc2)[C@H]1c1cccnc1 1810500555 SSSQLIACOBVYBG-DHLKQENFSA-N 465.663 5.181 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1811459828 FEABFBFDDBISQE-FDDCHVKYSA-N 490.406 5.616 30 20 JKED C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CC=CCC1 1811873490 PPYLNSXOXVVENT-SEIBCYHCSA-N 496.533 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1812074552 MGKCPTLBOSXQMO-OFVILXPXSA-N 491.035 5.595 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1812669566 FHKRPPCGMHMXOY-XXBNENTESA-N 498.961 5.123 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1812791871 JDJGRHLMNSTOGW-PMKNUOBQSA-N 451.655 5.318 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1813226952 WPXMHNWBCSHTFJ-PDDLMNHVSA-N 479.624 5.570 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1813942062 VGLVSOFTWWBZFV-PNCHPQGNSA-N 473.951 5.101 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1813963070 KKFDHKRZNHTSDV-XXBNENTESA-N 489.513 5.328 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc(C)cc3)[nH]n2)C1 1814393988 UHSGBSCRUQRANF-QHCPKHFHSA-N 455.562 5.052 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(C#N)cc2)n[nH]1)c1ccc(F)cc1 1814499383 HMKFQCDNFNMDPN-IGKIAQTJSA-N 487.579 5.095 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)[nH]n1 1814828650 CFGGCTSSGIEKPZ-SFHVURJKSA-N 464.488 5.404 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)[nH]n1 1814829494 SDHIGBFYHQYJKZ-QFIPXVFZSA-N 459.550 5.139 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1815249277 RCGRUZLGGGYBMN-YJBOKZPZSA-N 473.401 5.116 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4cccc(Cl)c4)CC3)n[nH]2)cc1 1818794102 YIWVHGDGRHVUQX-HSZRJFAPSA-N 487.991 5.167 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@]3(F)CCCCC3(F)F)n[nH]2)c1Cl 1818889184 CZHRXLXZINTELR-VGOFRKELSA-N 493.917 5.158 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)[nH]n3)cc2n1 1818971922 XDZRHNMRZZCBRV-DEOSSOPVSA-N 498.974 5.411 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)[nH]n1)c1ccccc1 1819517178 VENVYTUZJAJIHK-WIYYLYMNSA-N 493.970 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)[nH]n1 1819554082 DHTJXPLSVDFWAC-FQEVSTJZSA-N 478.622 5.227 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)n3)n[nH]2)c1 1819751253 NOHRPPYPYDPNBY-QRWLVFNGSA-N 496.493 5.070 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)[nH]n2)c1Cl 1820219144 KVOUAQCGWXECON-QGZVFWFLSA-N 478.965 5.097 30 20 JKED CCSc1cccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1820399956 NTVZDSHWGPIRHZ-LAUBAEHRSA-N 488.617 5.163 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1820971126 YOEORTQBMHLXAI-JXFKEZNVSA-N 497.983 5.430 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821026749 IBIQCQGUNBAVRR-OXJNMPFZSA-N 458.990 5.368 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4nscc34)[nH]n2)c(Cl)c1 1821277410 ZKGOXMKMBAPOPI-OAQYLSRUSA-N 490.976 5.164 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821384212 FKKQYLGLOUUGCS-JPYJTQIMSA-N 477.996 5.686 30 20 JKED C=CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4c(c3)c3ccccc3n4CC)sc2C1 1821424626 KWOBLCUDSSYXHU-KRWDZBQOSA-N 458.587 5.073 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n[nH]1)C(F)(F)F 1821857654 OIOBDGZLXWWODS-SFHVURJKSA-N 480.918 5.296 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1821922429 JVXQKYBGQUUXRK-YKSBVNFPSA-N 481.600 5.848 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[nH]n1 1822401155 BNFLCLDZYBDQDT-GOSISDBHSA-N 465.381 5.386 30 20 JKED C[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CC1 1822942904 CDPREDXLSSHJIZ-QYWGDWMGSA-N 498.425 5.176 30 20 JKED Cc1cccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1823126459 HIZLBHQPUBIYCK-IBGZPJMESA-N 465.916 5.002 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n[nH]1 1823301395 UDOXSONEWXKHFP-FZKQIMNGSA-N 452.452 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC3CC3)c(F)c2)n[nH]1 1823321533 FUUYEAKELLICNX-NFBKMPQASA-N 480.584 5.412 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1823886427 DMWSEHSTOGFESK-RUZDIDTESA-N 475.633 5.167 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823978168 WDVUSBGLYSNQLC-UQBPGWFLSA-N 464.009 5.249 30 20 JKED Cc1csc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824051059 FNSSZLWZZUTXRS-SANMLTNESA-N 477.674 5.113 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1824143641 PIRHWLJZEYEJTN-AREMUKBSSA-N 493.648 5.035 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1824145799 NOHQWQAALJMUSW-AREMUKBSSA-N 477.649 5.347 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824249190 PCEURGTZJSSXSN-YNJKOYDBSA-N 490.088 5.500 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cc(C)ccc2C)CC1 1824947653 HAUGJOWVHRIJQX-RUZDIDTESA-N 452.639 5.070 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccccc2F)CC1)c1cccs1 1827681841 SSNSMWOLEREPLG-XXFRDUSWSA-N 496.648 5.269 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1828357497 WIIFXYUDNZAEKP-JYSHFMIGSA-N 467.569 5.251 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828919142 WQVOXTMIZMKVKT-KZEJMIKBSA-N 460.707 5.074 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNc2ccc(F)cc2)CC1)c1ccccc1 1829033485 VXLSCMOKVLAWCQ-IZLXSDGUSA-N 489.635 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)nc2F)CC1 1829065764 AQHDWLPVMRYDTD-IBGZPJMESA-N 494.449 5.209 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829450952 IBJKHHSZXPUCMB-INIZCTEOSA-N 461.480 5.207 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830061982 KQZQIAZQSDNHEC-XMMPIXPASA-N 483.534 5.433 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)cc3F)CC2)c1 1830093566 DLNPIGXLYPSTKD-IQGLISFBSA-N 465.544 5.139 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830103363 XIXGUXNIKROFHP-HHHXNRCGSA-N 473.617 5.089 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)ccc1F 1830570359 VJEKLLZXJRHUDL-AREMUKBSSA-N 491.607 5.340 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1830674181 IDJDRTLPANXHPI-WXVAWEFUSA-N 487.644 5.486 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)CC2)c1Cl 1830886725 IGOXPPKVEMCFCS-OAQYLSRUSA-N 481.021 5.302 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2onc3ccccc23)CC1)c1ccccc1 1830924584 RBQPQXZQWZFBNE-IGKIAQTJSA-N 483.612 5.258 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830993725 NKZQOKQNCPEKAU-IFMALSPDSA-N 462.059 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)CC2)c1 1831510778 QHVNQLMIZZXMMT-MRJKTFCFSA-N 471.645 5.741 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1831844805 WXUUTXCONPRPPQ-MHECFPHRSA-N 454.611 5.044 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)S)CC2)c2ccccc12 1831847399 FRGILRPBVZGVIS-CJFMBICVSA-N 452.664 5.019 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1832028446 OGZCRKQULCYQHQ-MHZLTWQESA-N 473.661 5.333 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1832372784 YQHDCGPHBRXEFU-LEDOBFOHSA-N 456.030 5.271 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)CC1 1832551761 CXGLGISDVZEALF-XUZZJYLKSA-N 459.030 5.350 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3Cc4ccccc4C3)CC2)c1 1832635564 JLALVDBEIPVPRF-KPURRNSFSA-N 483.656 5.352 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832635926 YZWXPFUJPRGLBP-AFMDSPMNSA-N 494.035 5.523 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1832827617 QDZLNJDEKYTTEJ-DEOSSOPVSA-N 480.008 5.174 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C)c(C)c3)CC2)CC1)c1ccccc1 1838416615 DGNBPIGGPJESHK-GDLZYMKVSA-N 486.656 5.113 30 20 JKED Cc1cc(C)c(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)c(C)c1 1838821102 WTIJHGAYVTZIGP-QHCPKHFHSA-N 487.644 5.165 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CC2(CCCN2C(=O)c2cccc([C@@H](C)C#N)c2)C1 1846832883 BOJXBIJKAHMQTR-QHCPKHFHSA-N 495.664 5.205 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cccc(CC)c2)cc1 10174517 ISVABQGJTPGYGW-UHFFFAOYSA-O 458.434 6.457 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1ccccc1SCC#N 10697641 FLIXLRHWXYVTEP-UHFFFAOYSA-N 457.964 5.183 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)c1C#N 10711920 IYTFXCYYQLFRLN-UHFFFAOYSA-N 499.017 5.704 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1cccc(Br)c1 11084618 WOWFZWAFYSEQPQ-UHFFFAOYSA-O 499.454 5.497 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(SC(F)F)cc1 11113422 RGJWJDOJCDXUTO-UHFFFAOYSA-O 485.645 6.827 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2cccc(C(F)(F)F)c2)[n+]2ccc(N(C)C)cc2)c(C)n1C 11128814 PYMLORROAYIKAC-UHFFFAOYSA-O 475.560 5.065 30 20 JKED Cc1ccccc1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 11168396 DUTLBMZDPXCANB-UHFFFAOYSA-O 479.669 7.048 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(OC)c2)cc1 11262040 JIXBXTGPLNVVSR-UHFFFAOYSA-O 467.680 6.616 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)c(OC)cc2OC)nnc1-c1ccc(Cl)cc1 11450067 LALBIIFVAAHSQM-UHFFFAOYSA-N 479.389 5.186 30 20 JKED Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 11684464 HMEWMIHQQIEBGA-UHFFFAOYSA-N 493.972 5.046 30 20 JKED O=c1ccc(/C(O)=N/c2nnc(SCc3ccc(F)cc3)s2)cn1Cc1ccccc1Cl 21950942 YTSYAHMLDCCIRH-UHFFFAOYSA-N 486.981 5.469 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22800442 FBXLIEYFJFQURN-UHFFFAOYSA-O 472.949 5.597 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)nnc1-c1ccc(F)cc1 23591731 PNJUXWSCNWGNPR-UHFFFAOYSA-N 476.581 5.112 30 20 JKED COc1cc(/C=C2\CC/C(=C\c3ccc(OC(F)F)c(OC)c3)C2=O)ccc1OC(F)F 28498018 VEDZOFJAZKIHIR-KAVGSWPWSA-N 452.400 5.737 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1C 29377705 GKPJRBASYLLKGT-UHFFFAOYSA-N 471.380 5.155 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 46879985 FSNKGUPNWWTLHK-UHFFFAOYSA-N 467.529 5.799 30 20 JKED C=CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2sc(C)c(C)c2c1=O 255941860 VJGOZRDVXLOASN-UHFFFAOYSA-N 462.600 5.104 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)s2)cc1 302979544 JJTZSNPLJJAAMC-MSOLQXFVSA-N 489.651 6.000 30 20 JKED Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)cc1 303354063 FUTYPCKYOGQCIX-HXUWFJFHSA-N 474.369 5.097 30 20 JKED C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2C1 476179587 ZAMUFYHCNZGLFO-AFHODHPKSA-N 489.579 5.180 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 486534638 MKBAZYWIIYDHRL-UHFFFAOYSA-N 457.386 5.341 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 487034216 TUHMLASPSQOFEM-HXUWFJFHSA-N 496.592 5.844 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C 488021176 AIVUYWLNJYGXMI-UHFFFAOYSA-N 485.588 5.216 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3cccnc3)cs2)nnc1-c1ccc(Cl)cc1 498277301 RJWSKJZZVHZMMZ-UHFFFAOYSA-N 468.995 5.034 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(COc2ccccc2C#N)o1 504917058 BZZJJMWRKCWVDI-FQEVSTJZSA-N 481.346 5.479 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)cc1 505709984 ZTRYLYBGRZCRGU-IBGZPJMESA-N 458.514 5.287 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1CN1CCCC1=O 510715154 IJKBOQMENZFIAZ-UHFFFAOYSA-N 454.530 5.103 30 20 JKED C[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 511307302 QQLDFTQGDUWMRU-NRFANRHFSA-N 489.019 5.896 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(NC(=O)C2CC2)cc1 511320768 OCWITWJFJFKTOA-LJQANCHMSA-N 468.557 5.563 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1Cl 513148918 SIQBCPZKGNPDHV-QGZVFWFLSA-N 460.839 5.831 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1nc(-c2ccccc2)cs1 514301816 ZEWSYJHVLVACJY-LJQANCHMSA-N 481.643 5.206 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516081840 LLJMOFQGBBUHGA-QFIPXVFZSA-N 461.924 5.288 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C 516375154 KGZDKEWOCPDAKI-UHFFFAOYSA-N 475.593 5.455 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1Cl 516711144 NXABJCAOSLBDBC-GMAHTHKFSA-N 477.923 5.103 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 516767810 GGRXOIVXJNCARR-KRWDZBQOSA-N 462.531 5.457 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)N(Cc2ccco2)c2ccccc2C#N)c2ccccc2)cc1 517935307 RPTNRLAKMQNNLK-AREMUKBSSA-N 463.537 5.554 30 20 JKED Cc1sc2nc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)n(C(C)C)c(=O)c2c1C 518654117 ZFYNFCHAQSMIJQ-CQSZACIVSA-N 486.688 5.781 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)c3oc4ccccc4c3CSc3ccccc3Cl)CC2)c1 519126494 YFLBVBCMQVBHKO-UHFFFAOYSA-N 489.000 5.608 30 20 JKED C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)Nc1ccccc1S[C@H](C)CC#N 520197314 CFRDORRKQQMWET-JZKQVHKSSA-N 476.465 6.448 30 20 JKED Cc1[nH]c2ccc(CNC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2c1C 520487171 KMXHCBSMZDXHSS-QHCPKHFHSA-N 470.960 5.349 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 521726864 MERDXTJMNJLKBX-HNNXBMFYSA-N 458.008 5.808 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCc1ccccc1Oc1ccccc1 521732514 LOHTVLZGBBHIII-UHFFFAOYSA-N 478.508 5.101 30 20 JKED C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1I)c1ccc(C#N)cc1 522216641 LSSSDHVUIIFLNU-QRQCRPRQSA-N 499.327 5.452 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 587988822 UQLOFCFROLLXOF-FQEVSTJZSA-N 479.496 5.823 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(C)nc21 587989040 RBOUAMSCUDKDQW-UKRRQHHQSA-N 451.502 5.603 30 20 JKED C=CCN(C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 595182292 KQELVOPENDLPSQ-RPWUZVMVSA-N 488.634 5.690 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)c2)c1 603685994 KXPLUKFPASLKDJ-UHFFFAOYSA-N 476.536 5.071 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)c2)c1 603702658 GMQNZNDWSRJQHB-HHHXNRCGSA-N 495.966 5.635 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 603738938 KKFJEANBIRMSHB-UHFFFAOYSA-N 469.570 5.587 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1Cl 603766683 TZCZXQISXOGERZ-HSZRJFAPSA-N 455.945 6.612 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2Cl)cc1 604089846 ODKAYXQASYGHBH-QHCPKHFHSA-N 451.885 5.748 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)n2)cc1F 604118457 YXYYTILYJPVHLL-UHFFFAOYSA-N 458.518 5.454 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2CCC(c3ccccc3)CC2)cc1Cl 604137420 OFWAMJSXXOHQJR-YNJPUODISA-N 471.988 5.777 30 20 JKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604522817 BDIALZRNIAVYJG-ZEQKJWHPSA-N 468.557 5.442 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 604554444 CWNKWIHGJPNRHY-OAQYLSRUSA-N 466.585 6.107 30 20 JKED C[C@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)N(CCC#N)c1ccc(F)cc1 608929773 QYDMSAOMMDGIKQ-ZDUSSCGKSA-N 462.909 5.019 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 608996003 OMCCSEITSUNRSE-UHFFFAOYSA-N 484.556 5.094 30 20 JKED COCCOc1ccc(F)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 608996222 VQLIGFCVLOGRAL-UHFFFAOYSA-N 451.473 5.096 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 609001232 TYXAKPZIQZIYDU-RUZDIDTESA-N 455.558 5.257 30 20 JKED Cc1nc(NC(=O)CCCCc2ccc(I)cc2)sc1SCC#N 609020208 NIANJTZWISQQHM-UHFFFAOYSA-N 471.389 5.023 30 20 JKED COc1ccc(Sc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 609111991 YCOQMGRWJNGOGJ-UHFFFAOYSA-N 499.552 5.784 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1Cl 609164344 LSPSCQFEQLMZOC-GBXCKJPGSA-N 472.976 5.878 30 20 JKED CC(C)c1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cnn1-c1ccc(C(F)(F)F)cn1 609177449 VHVYQMYUQJRYNV-UHFFFAOYSA-N 491.473 6.326 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)s2)cc1 609354954 IEOVHVOGLWFYAR-NRFANRHFSA-N 473.646 5.277 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 609358587 JMZDTDDWQWYVEI-UHFFFAOYSA-N 481.339 5.474 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc2cc(Br)ccc2c1 609371041 VLJANHZTBZBHCX-HNNXBMFYSA-N 455.377 5.872 30 20 JKED C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378202 USZFRIRHURZCMF-NSHDSACASA-N 473.860 5.679 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)oc12 609435709 HJIPLIQXPLLCBB-JKSUJKDBSA-N 451.548 5.042 30 20 JKED COc1cc(CN(C)C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 612804509 NQOWKCJZFVJCCG-VXGBXAGGSA-N 478.380 5.348 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(Cc2cccc(F)c2)CC1 612804566 QNSQSRIZRZJTTJ-VQFNDLOPSA-N 454.430 5.699 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)nnc1-c1ccco1 614012835 XFYAPINNOJTZHU-UHFFFAOYSA-N 462.497 5.026 30 20 JKED O=C(Cc1ccc(OC(F)F)cc1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517036 XYQCKVBPEWZPHA-QGZVFWFLSA-N 483.355 5.468 30 20 JKED CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1F 622517982 SWSLLEUVRRIHBO-GOSISDBHSA-N 478.364 5.035 30 20 JKED O=C(Cc1cc(F)ccc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518279 ZQUOXWZQDOSIIA-KRWDZBQOSA-N 453.329 5.145 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccc(OC)cc1 639429266 IAPXVBOENVYGHF-JOCHJYFZSA-N 450.608 5.512 30 20 JKED CS(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 642281904 XXRNWRCFRDMTLM-OAHLLOKOSA-N 451.356 5.010 30 20 JKED C=CCOc1ccccc1CN(C(=O)CSc1nccn1C(C)C)c1ccc2c(c1)OCCO2 649450688 OEFSITWMVJRRBB-UHFFFAOYSA-N 479.602 5.126 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726319475 IRIGXJSIQBLVPX-WIXQSORDSA-N 491.604 5.294 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccc(C)s2)cc1F 726413807 VGKOMDIGBAHMFS-QFIPXVFZSA-N 497.617 5.042 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@H](C)c1cccs1 726422447 WDJAAHVBFPDVLQ-NTTOUURBSA-N 483.581 5.813 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCOC(C)(C)C)c1cccs1 726422775 YSABSSPCEIHZJT-XDIPYHTFSA-N 477.627 5.092 30 20 JKED COc1cc([C@@H](C#N)NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc(OC)c1OC 727646879 IADJDFAPKPWIJM-SINXNMPMSA-N 468.962 5.489 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)cc2)c1 728004761 FUAAJVLFRSEQLM-UHFFFAOYSA-N 492.560 5.214 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 729144123 BURKILDCWSNPJL-GOSISDBHSA-N 471.007 5.265 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c1C 730443626 FXACUTZJZZTYNV-HSZRJFAPSA-N 494.592 5.250 30 20 JKED N#Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)nc1 730891600 ZIVGZNQFHCHWML-IBGZPJMESA-N 459.811 5.162 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1 731061230 QSOHTTLJGIXOPN-OAHLLOKOSA-N 477.567 5.746 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(F)cc1 731071858 WGFSFIJXWHSURV-QGZVFWFLSA-N 480.565 5.182 30 20 JKED C[C@@H](CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1)c1ccc(F)cc1 731306588 NGXQHAVVZAEGOV-GAJHUEQPSA-N 477.561 5.295 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2cccs2)cc1 731306607 WJCIKBKBXVSAAY-VGSWGCGISA-N 479.627 5.354 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1C1CCCC1 731310390 HCSWROXHVKQYCI-HXUWFJFHSA-N 457.983 5.257 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 743526544 VWDTYJYOFAFBGO-OPAMFIHVSA-N 480.540 5.390 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O)Nc1ccc(F)c(Cl)c1 747601202 DQXRSUDJIJEJOF-SFHVURJKSA-N 492.960 5.235 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1nccs1 747602255 KAWKUUQKJCBPPY-IBGZPJMESA-N 482.606 5.102 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)cc1 747603533 SSDRHDZWJMCSHD-JOCHJYFZSA-N 492.670 5.525 30 20 JKED C=CCN(C(=O)COC(=O)c1cn2ccccc2n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 748171951 HJIYZLUPRQIEKK-UHFFFAOYSA-N 487.368 5.141 30 20 JKED Cc1ccccc1OCc1nnc(SCC(=O)OCc2cc(C#N)ccc2F)n1-c1ccccc1 794285984 SCGBTPJCYOFKCE-UHFFFAOYSA-N 488.544 5.001 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CCc2cccs2)C1=O 837832855 QXYOINLAAUCKIJ-JOCHJYFZSA-N 479.627 5.268 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1[C@@H](C)c1ccccn1 838197176 DOMVATPUOWQMQR-MHECFPHRSA-N 488.613 5.374 30 20 JKED C[C@H](OC(=O)c1csc(COc2ccc(F)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 900545628 CJTCVTLFASBDSO-AWEZNQCLSA-N 499.589 5.247 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(Cl)c1C 916206989 WEJXWKONULIMKY-OAQYLSRUSA-N 490.025 5.044 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(SC(F)F)cc1 916214973 ROYLAOPTGBNWAF-IBGZPJMESA-N 489.569 5.350 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916217554 PKVLJUQKUOEYAY-LJQANCHMSA-N 494.400 5.157 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 916217646 SUPKGOKBYOUPEJ-QHCPKHFHSA-N 497.567 5.505 30 20 JKED C#CCOc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1OCC 916272537 AORIKFHMYNMEJX-UHFFFAOYSA-N 477.973 5.380 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2ccccc2Br)c1C 916908454 PZXIZDOVLIHKGY-OAQYLSRUSA-N 492.417 5.943 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 916914610 OUFZEQGEGULXPM-JOCHJYFZSA-N 489.645 5.215 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 916925838 PEVCSKQJMBWGEA-JOCHJYFZSA-N 469.516 5.653 30 20 JKED N#C[C@@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 916928629 POPHZYXHCDRHQH-SFHVURJKSA-N 493.350 5.270 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cc(Br)ccc2o1 916932175 RRTDVSVNHJJDIF-LBPRGKRZSA-N 452.091 5.463 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1OC 916936005 YQBZXJHZXJAUES-XMMPIXPASA-N 486.568 5.541 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCCCC4)CC1 916966615 RENXPUAENUTEIE-UHFFFAOYSA-N 499.523 5.004 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c(COc4ccccc4)nc4ccccc43)n2)cc1 916972374 NPYDTGVJXWFXNN-JOCHJYFZSA-N 478.577 5.924 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1nc2ccccc2n1C(F)F 917040557 MASFBONNNRTLKY-IBGZPJMESA-N 453.452 5.774 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nnc1-c1ccc(Cl)cc1 917041480 TTXFYZQLVNGIGR-HNNXBMFYSA-N 486.935 5.332 30 20 JKED N#C[C@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 917044259 QCUJPEKKVUMDEL-CQSZACIVSA-N 465.294 5.986 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)c2)c1 917138771 WNLHBHCUCYKHDP-UHFFFAOYSA-N 455.445 5.374 30 20 JKED C=CCn1c(SCC[S@@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccccc1OC 917183914 JCCWBISVAVJANC-GDLZYMKVSA-N 468.431 5.346 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc2c(c1)CCCC2 917610156 UMIFUYXDMDSAAL-UHFFFAOYSA-O 453.631 5.801 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(Cl)c2)cc1 917613584 OUWFDQATEQIEKT-UHFFFAOYSA-O 463.026 6.726 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2ccsc2)C1=O 917659116 WTAFFPKZKLOTOT-NRFANRHFSA-N 479.627 5.534 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 917665104 UEPJKLKQLUVNQP-QFIPXVFZSA-N 474.542 5.064 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccsc2)c1 917669513 RLUOYLUZXBBOBC-HXUWFJFHSA-N 471.554 5.495 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 917669802 WJSRTQMDYQERNL-SFHVURJKSA-N 480.417 5.299 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c1 917671041 JASHEBZPPNRNFH-MZLICYQSSA-N 494.636 5.030 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c1 917689619 PMURRHLQHKNTLW-CCDWMCETSA-N 490.673 5.145 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)c(C)c1 918546470 AMNCGZUEXWOLRO-XFMXRJAISA-N 470.639 5.121 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SC[C@H](O)c1ccccc1C(F)(F)F 918747403 BBELDZCQAXUJBT-KRWDZBQOSA-N 453.461 5.027 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)n2)cc1 920145034 ZQTQLTSTQABTHK-IGKIAQTJSA-N 497.620 5.532 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3c(C)noc3C)C2=O)cc1 920353169 CBETYGHGSKITTB-HSZRJFAPSA-N 492.601 5.159 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 920675838 RUMAKBPNZLXQII-SECBINFHSA-N 463.993 5.131 30 20 JKED C[C@H](OC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 923551011 RMPHDFHXAGQXBW-KVFVURRZSA-N 487.730 5.638 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1136175600 MLVKPZRGOSCASU-UHFFFAOYSA-N 455.587 5.389 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/Sc2ccc(C)cc2)C1 1779325680 LQPVRIOBOYWRRV-IQLUVPOLSA-N 470.679 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cnc3OC)cc2)CCC1 1785783576 UNWHOOQYHKHSEC-HXUWFJFHSA-N 453.970 5.260 30 20 JKED Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)cc1 1786308925 VQXICRZTRVHGOM-GCJKJVERSA-N 497.661 5.013 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3Cl)cc2)CCC1 1786623809 NTHWLHYEVLZCBV-UHFFFAOYSA-N 491.950 5.106 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccoc4)cc3)CCC2)ccc1Br 1786749870 BTWLGFSDCNQTPH-XNWCZRBMSA-N 490.357 5.375 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4cscn4)cc3)CCC2)cc(C(F)(F)F)c1 1788204744 BWCKSVOGKUIGHG-UHFFFAOYSA-N 484.503 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)SCC(=O)N4)cc2)CCC1 1788523490 INAQAPHQCXXJCI-UHFFFAOYSA-N 477.630 5.471 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3Cl)CCC2)cc1 1789451314 GZDBSEGADOYZAJ-LJQANCHMSA-N 462.981 5.684 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CNc4ccccc4O3)cc2)CCC1 1789472819 SBRPBZXDGZGYBE-PKTZIBPZSA-N 459.590 5.152 30 20 JKED CCCC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)ON=C(C)C)CCC3)cc2)cc1C 1790054731 GOOVLDYZHPVXMM-FQEVSTJZSA-N 492.620 5.282 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4OCCc5ccccc54)CCC3)cc2)c1 1790255693 HFIVAGZDRBHILS-SANMLTNESA-N 465.553 5.010 30 20 JKED CO[C@@](C)(C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CC3)CCC2)cc1)c1cccc2ccccc12 1790376238 HCNYRUYDCSTGOM-HHHXNRCGSA-N 467.569 5.139 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)C[C@@H]3C)CCC2)cc1 1790518967 BFOUVJIXAQQQEY-JCWFFFCVSA-N 469.626 5.026 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3csc4c3CCCC4)CCC2)cc1 1790568454 ZDNHLOWZGZQNPF-KRWDZBQOSA-N 453.608 5.176 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCC(F)(F)F)CCC3)cc2)ccc1Br 1790745136 DZUNROCPUZYHOK-UHFFFAOYSA-N 494.311 5.411 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)[nH]c2ccc(Br)cc12 1791008943 XQBRBFZDKRWCGL-UHFFFAOYSA-N 491.389 5.290 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC4(CC4)CN3C(=O)OC(C)(C)C)CCC2)cc1 1791243736 CRNAGMPXJKHRJA-UGKGYDQZSA-N 481.637 5.122 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1 1791300361 MQHHWXPXHFNEQS-UHFFFAOYSA-N 493.510 5.491 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ncn4cc(NC(=O)OC(C)(C)C)ccc34)CCC2)cc1 1791587445 UTAUKVFCVKBDHY-UHFFFAOYSA-N 489.576 5.005 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4Cc5ccccc5CN4C)CCC3)cc2)c1 1792122455 AQXLZRRLBQWEHZ-KMRXNPHXSA-N 492.623 5.118 30 20 JKED COc1ccc2c(/C=C/C(=O)NC3(c4ccc(NC(=O)C5(C#N)CCC5)cc4)CCC3)c[nH]c2c1 1792230359 FSBPXWIESOENAT-NYYWCZLTSA-N 468.557 5.018 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4cc(C)ccc34)cc2)CCC1 1792364419 USROOKUATATXLD-NTUHNPAUSA-N 485.584 5.133 30 20 JKED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1793616501 RLWXZCPOXKXLRG-KEJFTWOCSA-N 472.601 5.091 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2cc[nH]c12)c1ccc(C#Cc2ccccc2)cc1 1797645630 NMNGYZYMRNLAJD-LGKQTMLJSA-N 473.576 5.133 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(C#Cc2ccccc2)cc1 1797995933 PYORMYZNBXKVKC-LGKQTMLJSA-N 491.566 5.272 30 20 JKED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)ccc1F 1800135654 IZAAKNNROIZQEN-BJWYYQGGSA-N 494.781 5.152 30 20 JKED Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)ccc2F)c2ccccc12 1800687048 FCIBHVFAFQAGMC-NUNAXRQHSA-N 469.560 5.044 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)[C@@H]2c2cccnc2)C1 1802416892 KNBXHKFVAVCVJI-CJFMBICVSA-N 490.003 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1802496108 KAXZNGBWFXPLHI-IAPPQJPRSA-N 469.629 5.476 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1802496606 KXFIQNYMONMSOP-ICSRJNTNSA-N 477.527 5.314 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1802499774 ITYXLZQSCGNPMD-WMZHIEFXSA-N 464.635 5.245 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c(Cl)c1 1802779268 GGMATJKGZCRYRU-SBUREZEXSA-N 497.357 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)ccc2C(F)(F)F)c1 1803871170 DYAWRMCRVJVDKU-PPRPKMEESA-N 473.470 5.037 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccs2)[C@@H]1c1cccnc1)c1ccccc1 1807398365 CKTBDSDMOBYFCI-QPSXNHGISA-N 483.637 5.060 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1809303324 PWJXYZHJMANBCA-AZGAKELHSA-N 470.617 5.250 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccncc23)[C@@H]1c1cccnc1 1810271696 IZXYPHOSWNIMMV-RBJSKKJNSA-N 498.703 5.001 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2CCC(F)(F)CC2)[C@H]1c1cccnc1)c1ccccc1 1810440014 DYEWEKXTKIWWAL-GSDHBNRESA-N 493.598 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810502772 LODLAUUTZFENLK-QPPBQGQZSA-N 487.566 5.341 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#Cc4ccccc4)cc3)[C@@H]2c2cccnc2)o1 1811252798 XVUVWMJLCLFNEJ-PXJZQJOASA-N 489.575 5.016 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c1Cl 1811419547 ICDULUOTUXLHSF-JYFHCDHNSA-N 484.987 5.117 30 20 JKED Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c1Cl 1811426371 VFRGIVNMAISULC-CYFREDJKSA-N 493.394 5.202 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2OCc2ccccc2)[C@H]1c1cccnc1 1811439328 WKHFBQFEBGXQJH-BKMJKUGQSA-N 490.003 5.210 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(C(C)(C)C)oc3C)[C@@H]2c2cccnc2)c1 1811928269 YUGFQYFDWOHNGP-BKMJKUGQSA-N 484.600 5.094 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)[nH]n1 1814442169 ZJYMNIOTHAXSRA-HXUWFJFHSA-N 454.619 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)ccc2F)n[nH]1 1814614978 DCFVGKORJALLBA-JXFKEZNVSA-N 489.389 5.386 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)[nH]n1 1814829595 UPRPVXJGRSVRHW-DEOSSOPVSA-N 463.626 5.289 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1815157599 WGJOXZCXTRNGSX-UJRCAEAVSA-N 497.599 5.155 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815215632 KZPSUIFSMIVPOX-AUSIDOKSSA-N 474.561 5.099 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815652152 LYGPFHAFHHOBDG-REWPJTCUSA-N 475.058 5.414 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4[nH]ccc4s3)n[nH]2)c(Cl)c1 1818790186 DBYIPKCNQVFFRY-SFHVURJKSA-N 478.965 5.097 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(Br)c3[nH]2)n[nH]1 1819131252 UKPSKGHAFCJAEV-KUHUBIRLSA-N 484.398 5.172 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224664 IVAOQRSBNUDFEP-QGZVFWFLSA-N 461.900 5.062 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)[nH]n1 1819304896 MCWICSSHRLXNNZ-DYESRHJHSA-N 491.419 5.556 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/Sc2ccc(C)cc2)n[nH]1 1819359067 HTXHGMQWVSEJHC-XEPMYJLFSA-N 450.608 5.210 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)[nH]n1 1819556925 QINQQBJEKZQCLJ-IBGZPJMESA-N 491.007 5.438 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)[nH]n2)c1Cl 1820218169 NYYXXMCWOMVQIT-AEFFLSMTSA-N 475.927 5.066 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)[nH]n2)c1Cl 1820221556 XFPCQQOROVGXSE-TUNNFDKTSA-N 473.964 5.044 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)[nH]n2)cc1Cl 1821027025 QLQXZDDSYHZIKW-NQIIRXRSSA-N 479.046 5.111 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821070552 KDRUEEKYIRJEED-UGSOOPFHSA-N 479.806 5.344 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)n[nH]2)cc1 1821087636 YCZHGDATLINYJY-NRFANRHFSA-N 499.468 5.253 30 20 JKED Cc1cccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)c1 1821308784 GCYOOHNYVSMPMQ-QFIPXVFZSA-N 495.505 5.157 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CCc4cccc(Cl)c43)n[nH]2)cc1 1821775596 DRATXYYWDQENCW-NZQKXSOJSA-N 487.991 5.165 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1821987715 OVUOHHLLKCMRQE-KRWDZBQOSA-N 484.906 5.118 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1)c1ccc(O)cc1 1822468815 APNJEBVVDGMDCC-FBLLAGFSSA-N 474.605 5.051 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2F)[nH]n1 1822580267 YBRZIBQTLVPIOU-IBGZPJMESA-N 489.389 5.119 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)cc1C#N 1822962944 WXOQUZHOFSBPRO-VTDHPELSSA-N 489.620 5.345 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)c1 1823216020 NDDISIILRYUILP-UIWFIXDVSA-N 459.594 5.313 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c1 1823218688 UMYGDALGXCTKAA-DHTANIISSA-N 459.594 5.479 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1823259246 JQOQAVBPMCKOHI-FQEVSTJZSA-N 498.370 5.216 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)C1 1823699991 CYYUMSSEGJDNLE-QHCPKHFHSA-N 484.438 5.130 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1823751051 IRQXVXLIKMGWCF-UODIDJSMSA-N 466.666 5.411 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1824002709 DKIFETXMOUDHOO-NRFANRHFSA-N 499.866 5.449 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c1 1824053277 NWFWILZPZGICOY-RUZDIDTESA-N 486.641 5.034 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 1824137706 MRMRVMQPLPUSCB-KKUQBAQOSA-N 452.614 5.317 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824954908 RXHYWXOQCNENHT-HSZRJFAPSA-N 496.639 5.567 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)CC1 1826204399 WREWWSBNVPAISA-ROUUACIJSA-N 469.573 5.164 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 1826510094 KINHILYRYVSOPR-RUZDIDTESA-N 497.561 5.362 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827352752 SZUIBZDMRPBSMA-SANMLTNESA-N 493.623 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1827517795 PSKFAGDZBOXCDD-IDISGSTGSA-N 499.655 5.574 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827520681 WURSVWWXZPIWFZ-JOCHJYFZSA-N 454.014 5.167 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)CC1 1827650492 CUSRPKSTGGHEDN-MOPGFXCFSA-N 467.532 5.004 30 20 JKED Cc1cccc2[nH]c(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)cc12 1827697989 WJILUSDUECPCEU-APWZRJJASA-N 483.597 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)CC1 1827728333 ZXGGVEMRLWROMO-XMMPIXPASA-N 492.689 5.515 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1827873559 DEYBNXGVUIUFQO-NDEPHWFRSA-N 492.623 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1828822906 NOHGXRXMHPKWON-DQEYMECFSA-N 475.633 5.652 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2Cl)CC1)c1ccccc1 1829032065 IUUGQMSESALBSP-BVAGGSTKSA-N 478.036 5.166 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccccc2F)CC1)c1ccccc1 1829035052 KBBLZUDLMILUPG-VPUSJEBWSA-N 490.619 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1829068650 JGTDJAJXVJOFKQ-DEOSSOPVSA-N 450.623 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829230877 HTZHUKPLSPRTDL-FQEVSTJZSA-N 466.453 5.614 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c1Cl 1829671577 HBIDSBNCPDLKDW-XMMPIXPASA-N 492.982 5.379 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1829976232 YYGSCRXJCROVMH-XMMPIXPASA-N 484.427 5.607 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2F)CC1)c1ccc(O)cc1 1830086626 ZZDCZCQIUGAEBZ-NVQXNPDNSA-N 494.582 5.101 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830345032 TXNDJOISUGUMFX-QFIPXVFZSA-N 495.447 5.045 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1830451012 VWBMOFNNXOYQRB-SANMLTNESA-N 477.649 5.037 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)cc2c1 1830628924 PAWMMOTYHJKNOU-HHHXNRCGSA-N 468.601 5.090 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)CC1 1830888299 QSTBYZRYNWYVDG-HSZRJFAPSA-N 453.652 5.540 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831306615 YIKAWOWNKFQGFS-XMMPIXPASA-N 455.042 5.185 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1831598487 FBBBBUOMNDPZBU-MHZLTWQESA-N 475.608 5.297 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832704181 IYXVMRMDWMKWRD-AVRDEDQJSA-N 481.559 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C)c3Cl)CC2)CC1 1838375416 GVNMJGNNIPWPES-JOCHJYFZSA-N 459.030 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(Cl)cn3)cc1)C2 1844201929 FMWUJYPPIHSNOB-JOCHJYFZSA-N 465.981 5.113 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1ccc(F)c(F)c1 10171034 FXFRUDMMKVDRDE-UHFFFAOYSA-O 477.512 5.801 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)c1 10172404 BHMOZWJPNGYRSI-UHFFFAOYSA-O 453.587 6.434 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1ccc(Cl)cc1Cl 10836479 ZAFWYNIGMINYMK-UHFFFAOYSA-O 488.416 5.665 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(SC(F)F)cc1 11113695 RTBJTLXZEADFPB-UHFFFAOYSA-O 479.544 6.180 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2ccc(Cc3ccccc3)cc2)c1 11269006 GTJLUIGGCVCSSA-UHFFFAOYSA-O 495.624 5.695 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)/C=C/c2ccccc2C#N)cs1 11541621 HHYPWXDZBIIVMX-RMKNXTFCSA-N 472.353 5.763 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 21170596 NLMOTEKLBGLWMK-MZNJEOGPSA-N 468.026 5.182 30 20 JKED Cc1nc(CSc2ccc(C(=O)OCC(=O)N(CCC#N)c3ccc(C)c(C)c3)cc2)cs1 23514073 KDLVHTYMORWHSA-UHFFFAOYSA-N 479.627 5.464 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(COc3cc(C)ccc3C)o2)c1 23972427 NCUVNQYHWLNVJZ-FQEVSTJZSA-N 464.591 5.310 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)cs1 108370602 VQEHKAZWZFEDLJ-UHFFFAOYSA-N 485.634 6.641 30 20 JKED CCCCCCCCCCC(CCCCI)CCCCCCCCCC 147188032 CZKXFGQEYYLUEK-UHFFFAOYSA-N 478.587 10.270 30 20 JKED Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)nnn1-c1ccc(-c2ccccc2)cc1 303363419 QMQMUMWPULMQET-GOSISDBHSA-N 453.571 5.889 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 409865598 SUXQNMLLVJYLPZ-UHFFFAOYSA-N 497.864 6.164 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1)c1ccc(C#N)cc1 480990005 XRDIFWWDGIHMNA-CYBMUJFWSA-N 472.303 5.612 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(Cl)c1 481443803 ITKXXXQWFPYDIZ-JOCHJYFZSA-N 465.912 5.136 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 487040015 ZWNCUXUCXHLTFB-NRFANRHFSA-N 495.604 5.927 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3nnc(-c4ccccc4)o3)s2)c(C(F)(F)F)c1 487440461 CDSRLXRHZCSJRF-UHFFFAOYSA-N 483.475 5.246 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1 488436268 STFXRTVARLSDMH-UHFFFAOYSA-N 469.950 5.076 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 494479552 MDWKSMLFHZSCQF-UHFFFAOYSA-N 480.355 5.493 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(S[C@@H](C)CC)cc3C)nnc12 498591057 GTHNXUXMEUZQRI-KRWDZBQOSA-N 493.658 5.160 30 20 JKED CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 500982192 KVHUXFXJLIUKMY-UHFFFAOYSA-N 484.618 5.682 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(Cl)cc1 501451819 JTNLEHGNFRJMNH-RUZDIDTESA-N 461.949 5.191 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C 501747655 FZWBGWCGZMGGJG-UHFFFAOYSA-N 452.599 5.651 30 20 JKED Cc1csc([C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)n1 502688814 ACFBGGOJDNRQDC-OAHLLOKOSA-N 461.399 6.016 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C)n1Cc1cccs1 502816967 GVBICEPQOIMREF-UHFFFAOYSA-N 480.387 5.047 30 20 JKED CCC(CC)(CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 507042067 TXJQVARKIBCANM-UHFFFAOYSA-N 480.996 5.550 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 507891614 SHSPFBPIOYCOCG-LJQANCHMSA-N 491.494 5.443 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OCc1ccncc1 509654862 RIIVTJDUMDCAKK-SFHVURJKSA-N 499.596 5.471 30 20 JKED CN(Cc1ccc(Br)s1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510231641 PWZAABNLPPEEBJ-UHFFFAOYSA-N 480.438 5.190 30 20 JKED C=CCn1c(SCC(=O)N(CC(C)C)CC(F)(F)F)nnc1-c1ccc(Br)cc1 510332302 IUBKKYTVEIMFIJ-UHFFFAOYSA-N 491.377 5.033 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc2ccccc2s1 513677160 RMBALVPKMHPHMO-MRXNPFEDSA-N 453.317 5.721 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 513729156 WRFDISFGYQMITQ-HXUWFJFHSA-N 470.529 5.242 30 20 JKED Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cccc1C(=O)N1CCCC1 513870202 WFWXUDPMYITSRI-UHFFFAOYSA-N 470.548 5.476 30 20 JKED COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2sccc2C#N)cc(OC)c1OC 514903571 BOXLKUJBQXVOTN-SFQUDFHCSA-N 497.576 5.933 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)n2)cc1 515032340 VVOVQZJLYYOKTK-QGZVFWFLSA-N 485.396 5.479 30 20 JKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)c1 515798179 WLJKXZMEXJAVPT-UHFFFAOYSA-N 462.937 5.689 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 516714178 STECGAJRUYYZIC-INIZCTEOSA-N 487.375 5.479 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 517464809 HNWXWIPVVDTXCG-MBSDFSHPSA-N 478.017 5.630 30 20 JKED C[C@H]1CCCN(Cc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2)C1 518041788 KIUBTDPTVYGWTL-NRFANRHFSA-N 498.652 5.773 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nnc(-c5cccc(C)c5)o4)cc3)n2)cc1 518516557 KKQVBEIJODRJJG-HSZRJFAPSA-N 492.560 6.334 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3nc4cc(Cl)ccc4s3)s2)cc1 519928938 RFHVHJLGMMCTAB-UHFFFAOYSA-N 472.020 5.536 30 20 JKED C=CCN(C(=O)c1cc(C)nc2onc(C(C)C)c12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 519947156 ULBMQMUEKYFUAW-UHFFFAOYSA-N 463.519 5.519 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 520137221 WJKCGSKKUILMLC-UHFFFAOYSA-N 452.558 5.374 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1c(F)cccc1F 520513745 PMEJFKYXOAYHAL-CVDCTZTESA-N 467.903 5.480 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 520525883 ACMILQHBZZQVMR-UHFFFAOYSA-N 489.641 5.484 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 520815065 VJLYYBDEKJLQDV-LJQANCHMSA-N 459.571 5.028 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 521071868 CCKZBVYUGFLJBV-UHFFFAOYSA-N 464.516 5.533 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 521811357 DPWHKTHJNLFOQO-CQSZACIVSA-N 450.395 5.137 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)c1 523187956 APWYPDHBGFGYMJ-FOVJLYNBSA-N 465.981 5.435 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c2)cc1 589304430 HPXXPKZQJNXHPR-UHFFFAOYSA-N 454.570 5.962 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(C)s2)nnc1-c1ccc(Cl)cc1Cl 590246699 YAZSLFHGJUKRPE-UHFFFAOYSA-N 467.447 5.559 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 603519080 ROYWCBPYYUGILC-UHFFFAOYSA-N 474.007 5.126 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 603600865 IBOGQEOXTVGPQD-FQEVSTJZSA-N 474.948 5.198 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 603755117 SODVAXIHVPVMKP-UHFFFAOYSA-N 476.374 5.684 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 603968992 SRUQSNMGLHPKHE-INIZCTEOSA-N 466.360 5.041 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 604027347 WBUWNOKPQIDGKC-UHFFFAOYSA-N 474.864 5.054 30 20 JKED CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C(=O)NCc2cccc(C#N)c2)cc1 604140200 UTABSGAJURMIHS-UHFFFAOYSA-N 483.446 5.023 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 604500840 NHXHPGCEUVTMAY-UHFFFAOYSA-N 456.571 5.439 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccc(OC(F)(F)F)cc2)cc1 608939937 QBDCOWYCIYKHDV-UHFFFAOYSA-N 454.448 5.802 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 609028679 NHQALTBMYPKRHS-MUUNZHRXSA-N 489.579 5.392 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C 609061220 MDUUCCATCDSEBF-UHFFFAOYSA-N 468.532 6.146 30 20 JKED CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 609207184 KHSJLUDCVPZMDR-UHFFFAOYSA-N 482.584 5.100 30 20 JKED CCOC(=O)c1c(NC(=O)c2cc3ccccc3n2CC#N)sc(C(=O)Nc2ccccc2)c1C 609215669 RHWPQTJKBSWAJC-UHFFFAOYSA-N 486.553 5.216 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 609427102 PFSYKFAKLFLRDN-UHFFFAOYSA-N 489.959 5.503 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1 613344342 IATNUQDMJLXCNU-KRWDZBQOSA-N 499.375 6.788 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 613407475 UNLPUTRJJWPSOZ-CQSZACIVSA-N 486.405 6.715 30 20 JKED O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622570168 XNPZFYAJDQHEAP-UHFFFAOYSA-N 462.356 5.259 30 20 JKED O=C(Nc1ncc(Cc2cccc(F)c2)s1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642449840 JKEADRBQJDPOGC-VXGBXAGGSA-N 469.426 5.904 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCO[C@@H](c3ccccc3Br)C2)c1=S 725779886 QVMVBJJTMBIHLN-HXUWFJFHSA-N 489.414 5.200 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCCC2)cn1 726116505 FOPMNHZRRCYKGM-KRWDZBQOSA-N 480.421 5.113 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@@H](C)OC)cc1 726394113 SQULSZHPPRWRSO-QVKFZJNVSA-N 490.025 5.042 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(Cl)c1 726395253 YNEJOQIILCQZLR-OXJNMPFZSA-N 459.999 5.034 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCCC3)C2=O)c1 726406332 JGXSWEQMUBJVDA-NRFANRHFSA-N 482.993 5.123 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)cc1 726940354 GGTFYCYAUWOFQB-UHFFFAOYSA-N 466.632 5.154 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2Cl)c1 727999663 NJFGWQFKHZLOMW-UHFFFAOYSA-N 477.145 5.854 30 20 JKED C=CCOc1ccccc1CN(C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1ccc2c(c1)OCO2 728115605 NRPLEWYIDWWUEJ-AREMUKBSSA-N 496.563 5.478 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1ccccn1 728426708 XXMJOQGMAWFDHR-HOYKHHGWSA-N 483.597 5.237 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 728779056 XBGZJTZHGYKKFE-GOSISDBHSA-N 493.391 5.787 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3scnc3C)C2=O)c1 729141957 GLJSYBDCYNGHQS-QFIPXVFZSA-N 492.670 5.846 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729554088 ZOEMLTDSZDEKJH-KOSHJBKYSA-N 470.573 6.796 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ncccc1C 729634123 IJDZGJHARQEYSK-QHCPKHFHSA-N 476.577 5.252 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1cccc2ccccc12 729667559 KPUZPIVXVQJEGW-UHFFFAOYSA-O 459.547 5.120 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c(C(F)(F)F)nc4ccccc43)n2)cc1 729892640 FOSVSAKRTRZENT-HNNXBMFYSA-N 456.449 5.064 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 729894669 PHDWRKLSNOERKH-PXNSSMCTSA-N 497.567 6.311 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730461605 FZNVVSRRWOSVER-IBGZPJMESA-N 479.499 5.666 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 730666760 FSCSDKJMXYSMPO-UHFFFAOYSA-N 482.556 5.140 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)cc1C 730710680 POUDNWDGXFOBRL-DEOSSOPVSA-N 484.581 5.605 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730716336 VODUMKZYMYOEPD-NFBKMPQASA-N 492.004 5.242 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3c2CCC3)cc1 730921042 UMWIOXLBRBSDFL-GOSISDBHSA-N 467.356 5.191 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N([C@@H](C)c2cccnc2)C1=O 730942614 SQUVLSWEVDJILG-MBSDFSHPSA-N 474.586 5.120 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(c2nc(C(C)(C)C)cs2)CC1 731030212 LVRWEGRHDLWCHF-KRWDZBQOSA-N 456.681 5.510 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 731067422 UCBBCRYIDAFPPZ-SFHVURJKSA-N 473.554 5.129 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccccc2Cl)n1 731079644 FUZDMKNCGNSHCZ-CQSZACIVSA-N 471.991 5.511 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310809 QMHRQPYIKYXXIC-AOMKIAJQSA-N 481.549 5.106 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1 731312666 QJSDKYTZUNQEAB-JOCHJYFZSA-N 495.626 5.401 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1C1CC1)c1ccc(Cl)cc1Cl 731316252 UVZXVCBNJLNLNA-DZVUJLMMSA-N 478.401 5.251 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 731399882 ICPTWJPVWNVTTO-RUZDIDTESA-N 490.604 5.994 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 731400966 ZJJVOCBYIOTNKI-QGZVFWFLSA-N 478.540 5.329 30 20 JKED C=CCN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1nc(C(=O)OCC)cs1 749128390 NFHFWBRNHUPPLP-UHFFFAOYSA-N 495.651 6.055 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CC(F)(F)F)C2=O)cc1 799210060 MYOSHPKEXGFGPB-OAQYLSRUSA-N 499.514 5.565 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(F)(F)F)c1 799213625 XSAHLOOZLPMQMI-HXUWFJFHSA-N 487.503 5.371 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)cc1C 799215037 HLVDXNCOZJFPOO-GOSISDBHSA-N 460.397 5.046 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C(C)C)CC1 837286269 UZYNNUUKOFKBRS-QHCPKHFHSA-N 478.662 5.137 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837835419 RVFJDPKPNUGEIE-HOYKHHGWSA-N 486.597 5.314 30 20 JKED N#Cc1ccc(N2CCC(c3nc(-c4ccc(OCc5cccnc5)cc4)no3)CC2)c(F)c1 904467165 UOVOPKTWLILCNI-UHFFFAOYSA-N 455.493 5.105 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1 914542542 GBVVCTPNXAIXIP-HSZRJFAPSA-N 488.613 5.176 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914546812 IEMZRRYIOAHZKO-RBBKRZOGSA-N 453.995 5.092 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3sccc3C)C2=O)cc1 914548594 MFIBCMDEFVMERQ-NRFANRHFSA-N 495.601 5.559 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)cc1 914772752 NFHUHNPFWJHPBW-DEOSSOPVSA-N 489.597 5.002 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cc1 915088132 ZQFVDHSJKLNZSR-HXUWFJFHSA-N 454.555 5.112 30 20 JKED COc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Br 915349981 DKYNYTKEHOBWSD-KKSFZXQISA-N 464.363 5.996 30 20 JKED CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915784651 YTAMSPZKXCPWHL-FQLXRVMXSA-N 489.575 5.585 30 20 JKED COc1cc(/C=C2\CSc3ccc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 916128534 KFZDVZZNJBYVFK-MHWRWJLKSA-N 483.948 5.877 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccco2)C1=O)Nc1ccccc1 916205291 OHIBXCPFWCEKSC-LJQANCHMSA-N 457.914 5.233 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C[C@H]2CCCO2)c1 916207915 OTESOKGSFTUNDM-VQIMIIECSA-N 492.428 5.441 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(C)cc2)C1=O 916209206 GRXJRKDGRSITLQ-HSZRJFAPSA-N 477.561 5.303 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC2)C1=O)Nc1ccccc1F 916214133 KVSHCEXDBNUPTE-QGZVFWFLSA-N 452.338 5.255 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN=C(c2ccccc2)c2ccccc2)cs1 916264035 RGEYXUAQQUSLTG-UHFFFAOYSA-N 458.974 6.353 30 20 JKED O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1 916285774 HFDULJQERFXKCY-UHFFFAOYSA-N 452.396 5.307 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 916882296 ACRYLRCQEJBRMS-QGZVFWFLSA-N 460.342 5.299 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1Cc1ccccc1 916887377 NPCAQRCLCOMPBI-OAQYLSRUSA-N 453.514 5.429 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 916903299 QSCOSWCUTHVCNO-LJQANCHMSA-N 453.901 5.165 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 916943247 UBEOMYBXSBQTBP-VXKWHMMOSA-N 480.351 5.202 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1 916975984 HQQZKRNDRXRARN-RTBURBONSA-N 458.370 5.561 30 20 JKED Cc1cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cc(C)c1OCc1ccccn1 917517404 FENBZGTWASOCQI-GHXNOFRVSA-N 453.542 5.486 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(SC3CCCC3)cc2)cs1 917560176 ILYHPNAWCWIRCR-XNTDXEJSSA-N 483.058 7.412 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2c(C)cccc2C)n1 917658840 SKEXBUPJQKYXQU-JOCHJYFZSA-N 458.587 5.167 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 917803514 FWJLKNDNLKHZFN-WSQGFLFRSA-N 479.418 6.004 30 20 JKED CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 918551039 LBBREFVNAIRTBP-UHFFFAOYSA-N 487.585 5.003 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)n1 920327201 ORLTUQJLWPYOSO-YLJYHZDGSA-N 485.359 5.079 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 920869919 QAMUPXBGECIHAM-RNODOKPDSA-N 495.979 5.169 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(N=Cc3cc(Cl)ccc3O)ccc2N2CCCC2)cc1 920944737 IWHWNUGECSTYDD-UHFFFAOYSA-N 485.993 5.206 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CCO2)C1 1778883466 LBMSYOMWUKESMJ-YUDQIZAISA-N 485.628 5.026 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)cc1F 1785951050 XFWDKIAJXPBPAZ-UHFFFAOYSA-N 471.532 5.086 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)c1 1786040971 XOOZVVHWMAWZAH-UHFFFAOYSA-N 481.474 5.551 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1786102678 UKKAJKNGYCORPM-DEOSSOPVSA-N 495.664 5.679 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccs4)cc3)CCC2)c(C(F)(F)F)n1 1787274215 PVICENPOLIFJMN-UHFFFAOYSA-N 470.476 5.095 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5sc(N)nc5c4)cc3)CCC2)c1 1788075592 KMLVKFRCFIDSLP-KRWDZBQOSA-N 495.608 5.567 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)c2cc(O)ccc2n1 1790257243 NTNHBPXKUOHHNZ-UHFFFAOYSA-N 476.536 5.182 30 20 JKED Cc1onc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)c1C 1790785522 QWYNSVXKRMZSDE-UHFFFAOYSA-N 482.462 5.243 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccccc4)CCC3)cc2)c1 1790796807 KNRJSPJJLSEUKW-UHFFFAOYSA-N 453.542 5.084 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccc(Br)cc34)CCC2)cc1 1791578614 IGKRGTGNYDFRHF-AWEZNQCLSA-N 484.419 5.063 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791731819 KNZDCOSRJPBXKR-NDEPHWFRSA-N 495.664 5.351 30 20 JKED Cc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)n1 1792122855 YZKCHKIDYUCNKA-JWHUVLAVSA-N 464.569 5.478 30 20 JKED COc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123380 XLUNGZFSARUPMG-FQEVSTJZSA-N 483.568 5.149 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)c(C)c1)C2 1792572929 SOBXXUTXTLEDJW-BKFWDETESA-N 497.680 5.264 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C2 1792575217 XZWJMENIGDUSBH-WIYBCGNWSA-N 473.455 5.183 30 20 JKED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1795858485 MDBFILZTULUWFJ-KOUNCHBCSA-N 453.542 5.188 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c(Cl)c1 1797872285 AATJTLLGVJMIOG-OVQJPPBNSA-N 454.014 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccccc3c1Br)C2 1798338004 MPUFAZRQOLRJNM-PLACYPQZSA-N 481.434 5.623 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2c(Cl)c1OC 1799336489 NCRBXDJXAPBWRW-WOZUAGRISA-N 467.009 5.522 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C#N)CCC1)C2)c1ccc(OCc2ccccc2)cc1 1802082288 JXCDZYPLBRQQQH-IYOUEGCASA-N 499.655 5.337 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(C)C)nn3ccccc23)[C@@H]1c1cccnc1 1802503033 KHIWDLYRTDQOKH-BKMJKUGQSA-N 487.648 5.165 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1804172830 HRHTWNBBRGNPRC-NBGIEHNGSA-N 496.032 5.234 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3cc4cccnc4cc3F)CC2)C1 1804865191 FWMJQALPUBHOFX-UHFFFAOYSA-N 465.613 5.140 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3c[nH]c4cc(OC)ccc34)CC2)C1 1805456778 GLEBIHSDUNFRCT-FMIVXFBMSA-N 475.633 5.189 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1)c1ccccc1 1805623305 KAVONHKAUGHANQ-YIXXDRMTSA-N 471.645 5.598 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(OC(F)(F)F)cc3)C2)CC1 1809479837 XMDSFPHRWHXJSL-RMKNXTFCSA-N 486.481 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1810173858 BSTUFPUSKPUICK-HECCSYQRSA-N 463.647 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)oc3cc(O)ccc23)[C@@H]1c1cccnc1 1810500201 MNSRNJJOKVAINF-CJFMBICVSA-N 475.589 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1811949087 QJEIOJJXIQBZKE-WWNPGLIZSA-N 471.523 5.188 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1)C(F)(F)F 1812683901 WTXBYKVFOLZMEX-ATIYNZHBSA-N 495.545 5.300 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)Cc4ccc(C#N)cc4)n[nH]3)c[nH]2)cc1 1814495598 YZDNDBLWOGCTOA-AREMUKBSSA-N 492.583 5.134 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)[nH]n2)cc1 1814499034 LYARLTZAHGNHIG-XMMPIXPASA-N 498.974 5.032 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)Cc4ccc(C#N)cc4)n[nH]3)sc2c1 1814499080 PHQIHUVQLKKYNX-QFIPXVFZSA-N 483.597 5.353 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[nH]n1 1814824494 VRALXHBQEWISTK-XPNTWCBSSA-N 450.558 5.113 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)[nH]n1 1816462857 HAZBLWBEPAAZSV-QFIPXVFZSA-N 491.567 5.168 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)c2c1 1819059788 LAIORCAOHKSFNP-CRICUBBOSA-N 496.571 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 1819309201 OLPHJJGCSHKSSV-FYYLOGMGSA-N 491.592 5.200 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821047555 NSGAIGWFYWBNTB-RUZDIDTESA-N 488.588 5.491 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3)n[nH]2)c1 1821132717 MDVCCAMIQJARDD-OPAMFIHVSA-N 493.514 5.258 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)[nH]n2)c1 1821275269 FMHOXDQSQHKVAZ-FIXDAVPBSA-N 477.584 5.333 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1821924665 GLZZSFQMUWZULK-SJCJKPOMSA-N 453.345 5.374 30 20 JKED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2c4ccccc4n4ccsc24)CC3)c1 1822031845 DRWFMHKYUKKUMH-KRWDZBQOSA-N 497.605 5.022 30 20 JKED Cc1cc(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)c1 1823190692 ZUPWIUUIKQFEJM-UCFODXPJSA-N 482.993 5.178 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 1823286778 JTEOZXTUXLIJHR-NTKDMRAZSA-N 473.577 5.184 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1824053047 APWITVOEQSLUEW-HSZRJFAPSA-N 499.442 5.126 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1824140953 BRXQMIKRXKSTJN-QFIPXVFZSA-N 486.081 5.951 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)CC2)cc1C#N 1824863275 KARICCOSTDVGHL-VPUSJEBWSA-N 491.607 5.290 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1826692295 KYDQTYHUIZTHBY-VWLOTQADSA-N 493.051 5.304 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC#N)CC2)cc(C(C)(C)C)c1 1826693250 DPNQKFMXARRDMN-RUZDIDTESA-N 465.682 5.819 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncccc23)CC1 1828028050 XZUOXQYSDODMRE-HHHXNRCGSA-N 489.736 5.519 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828156935 YIIJDSYWPPKAMV-LAUBAEHRSA-N 473.614 5.075 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)nc2)CC1 1828825327 VKSNUZCYEHQXBM-RPWUZVMVSA-N 451.655 5.381 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1828826852 DHZOTLHFVVEBON-JYFHCDHNSA-N 470.629 5.615 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829453700 RKIWFXXKPXLRGH-YBNTXHARSA-N 482.433 5.000 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2CC)CC1)c1ccccc1 1829852629 NWDVOIJUDGLSLF-ILBGXUMGSA-N 477.674 5.136 30 20 JKED CCCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830105421 INYATWMRMDHBQT-HHHXNRCGSA-N 457.618 5.252 30 20 JKED CCCC[C@H](CC)COC(=O)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC#N)CC2)cc1 1830686594 IOPVJGDCLSHWDR-NVQXNPDNSA-N 495.664 5.207 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3)CC2)cc(C(F)(F)F)c1 1830754755 HGOMCTZHKSDDEB-RUZDIDTESA-N 497.561 5.443 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c1 1830990977 OKZXSJNABXVZJT-RUZDIDTESA-N 455.558 5.160 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)CC1 1831232131 UGNXUEZFQXLEMJ-DFCKQENNSA-N 452.639 5.232 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1831374329 OANIQWNSOQMJOH-AMGIVPHBSA-N 487.644 5.384 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1832023846 LEZCWWIQIHEBRX-RRFVUZEHSA-N 498.667 5.313 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1832030539 SHYVHDJNWMCMEQ-NDEPHWFRSA-N 496.655 5.657 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1832056782 TVRXXGLYVQXDPH-KCHLEUMXSA-N 477.693 5.039 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc4ccccc34)CC2)c1 1832632579 TYHYGMIHPMQPLX-RBTNQOKQSA-N 480.612 5.409 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1832633928 HILJKHZMSOEFRR-LVXARBLLSA-N 486.660 5.553 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832634788 VZKWUUREJJIUEV-FIPFOOKPSA-N 471.645 5.488 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)CC1 1838423849 IPUDVOVACYAJLD-UHFFFAOYSA-N 498.561 5.449 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccccc1CC 10174238 HSRBBEJKTOORKY-UHFFFAOYSA-O 468.440 5.912 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 10779228 GBDWISWSQRRWRE-SECBINFHSA-N 462.116 5.121 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(C(F)(F)F)c2)c1 11128863 VKXADDMYSNSANI-UHFFFAOYSA-O 451.440 5.630 30 20 JKED CC[C@H](C)c1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)S2)cc1 15231630 ZLLKILIDYLHFNK-UGSOOPFHSA-N 463.575 5.763 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)n(-c2cccc(F)c2)c1C 16622864 AWFBRJYZJZCWIP-UHFFFAOYSA-N 494.983 5.285 30 20 JKED Cc1csc([C@@H](C#N)C(=O)CSc2ncc(-c3ccc(Br)cc3)n2CC(C)C)n1 17153242 IJTXARYFIAKQFU-KRWDZBQOSA-N 489.464 5.702 30 20 JKED COc1cc(/C=C(\Cl)c2nc(=O)c3c(-c4ccccc4)c(C)sc3[nH]2)ccc1OCC#N 21190955 FVKWTKUAMUIBMZ-ATVHPVEESA-N 463.946 5.608 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 22729631 OSNCCGOTQVXXBV-UHFFFAOYSA-O 479.669 6.849 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)cc1 22731409 UDCDWEMKWWHYAS-UHFFFAOYSA-O 451.637 5.672 30 20 JKED C=CCOc1ccc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1OC 25989726 FNFXWRWZQLWYNG-UHFFFAOYSA-N 479.143 5.669 30 20 JKED Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 28960820 XDIUTXOLYNMICA-MUUNZHRXSA-N 452.602 5.063 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccco3)n2C2CCCCC2)cc1Cl 45697618 DWQBTPUXTNNOQK-UHFFFAOYSA-N 455.971 5.689 30 20 JKED Cc1c(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cccc1C(=O)Nc1ccccc1 68804372 UASUANNDDZBGKP-UHFFFAOYSA-N 495.539 5.222 30 20 JKED CC(C)n1ncc2c(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc(-c3ccco3)nc21 107833973 YWNFFUSROLATPR-UHFFFAOYSA-N 467.451 5.349 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(OCc2cscn2)c1 109905082 PSPVNZUEORLZQA-UHFFFAOYSA-N 461.356 5.452 30 20 JKED COc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(OC)cc1NC(=O)c1ccccc1 482264265 CZJOSJXWCTYGNC-UHFFFAOYSA-N 493.519 5.872 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl 483438662 NKUMYXZFSGXZMH-UHFFFAOYSA-N 461.949 6.175 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)c2)cc1 486099863 ZLAKBQYTNNJGJZ-HSZRJFAPSA-N 463.331 5.327 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)c4cccc(Oc5ccc(C#N)cc5)c4)CC3)c2c1 486999662 IRLBWPVMDPGNMK-UHFFFAOYSA-N 451.526 5.860 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 489902505 ALHUWHNWCZLMTR-UHFFFAOYSA-N 493.401 5.467 30 20 JKED Cc1ccc(/C=C\c2cc(C(=O)N3CCC(C#N)CC3)c3cc(Br)ccc3n2)o1 490848440 DOKIDHYKRDOYLM-XQRVVYSFSA-N 450.336 5.445 30 20 JKED CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 494665237 MEOPOKOHBFFDIC-OAQYLSRUSA-N 453.951 5.145 30 20 JKED Cc1cc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1NC(=O)c1ccco1 498122772 MERVYRJWHWDTEO-MRXNPFEDSA-N 462.575 5.482 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)nn1-c1ccccc1Cl 499183577 BUFQAXRUYZDFDK-CQSZACIVSA-N 492.992 5.123 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)nc2ccccc21 502701300 GSGJMVMOCLVDSQ-QHCPKHFHSA-N 482.547 5.523 30 20 JKED CC(=O)Nc1cc(F)c(F)cc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 506944341 CCEDWNHDWSHOFS-UHFFFAOYSA-N 455.305 5.011 30 20 JKED CCN(C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)[C@H](C)c1ccc(C#N)cc1 509577007 ZNZFWPIRGDMXNH-QGZVFWFLSA-N 476.374 5.796 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCOCC1 510645184 MEZASHVUSWNPLK-UHFFFAOYSA-N 471.557 5.538 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccn2)cc1 510756241 ZITCWNHBAGPBEO-UHFFFAOYSA-N 480.524 6.177 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)nnc1-c1ccc(Cl)cc1 514357269 CUTJIOQATAFTEE-OAHLLOKOSA-N 474.989 5.071 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 515796032 WYAZJQWRNXGEFY-MRXNPFEDSA-N 498.992 5.137 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1OC(F)F 515895216 CGMBSGQUQVGSTH-AWEZNQCLSA-N 484.343 5.532 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 517784969 HAVCFLHVOTVQAQ-UHFFFAOYSA-N 480.490 6.272 30 20 JKED N#CCCSc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 518649851 VWXJLFMIVOCEAO-UHFFFAOYSA-N 456.546 5.865 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 519439373 LGZNAFPGDCNFKE-LJQANCHMSA-N 481.927 5.571 30 20 JKED Cc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c3c2CCCC3)cc1 520795906 NTGRYHVSTRXSBM-UHFFFAOYSA-N 463.541 5.679 30 20 JKED C=CCN(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 520937285 XOAVSPWCELDXIN-INIZCTEOSA-N 479.997 5.144 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 521811263 AEDWWLZSNJCMIN-KRWDZBQOSA-N 456.999 5.114 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C(=O)Nc4ccc(F)cc4)CC3)c2)cc1 523197798 AIMRNVICTICTNU-UHFFFAOYSA-N 486.547 5.353 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)n1 524404801 SVSZLQTXRDKMBB-UHFFFAOYSA-N 483.547 5.264 30 20 JKED C=CCN(C(=O)Nc1cccc(OCc2ccc(F)cc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 553664717 BFFWFFAJKKTQFE-IBGZPJMESA-N 472.524 5.162 30 20 JKED COCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)c1cccc(C(F)(F)F)c1 553860128 VQVULTLNBMYTCE-HNNXBMFYSA-N 465.541 5.165 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 586792076 FJWVOKABLYXCOS-GJZGRUSLSA-N 495.439 5.964 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OCc2ccncc2)cc1 591515247 NUHYABCLZAVSQU-UHFFFAOYSA-N 470.342 5.782 30 20 JKED N#Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 598540613 QRXRTNUUWVOEHP-UHFFFAOYSA-N 467.550 5.206 30 20 JKED Cc1ccc(Sc2ccc(NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2)cc1C 603650099 YSMVKFNUWCGKRC-UHFFFAOYSA-N 473.602 5.546 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603765503 WLLFQULNVIFPMV-WOJBJXKFSA-N 484.556 5.166 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 604103021 QHTVAMYZQWPWEJ-UHFFFAOYSA-N 484.585 5.489 30 20 JKED CN(Cc1nc2ccccc2s1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604162484 DNTJLUFUTPOXRZ-IBGZPJMESA-N 474.973 5.202 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 608963859 VLFYJOOCCKWQQV-XMMPIXPASA-N 450.897 5.143 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)cc2Cl)c1 609062951 LVGLDCCQJMZVNZ-UHFFFAOYSA-N 498.970 5.479 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)nn2-c2ccccc2)cc1 609066805 MFUYUSOSBNDXRV-UHFFFAOYSA-N 460.440 5.273 30 20 JKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609079228 PUFFPXFDOGFHNB-XMMPIXPASA-N 455.558 5.693 30 20 JKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 609211603 DJYWFOYPLFVCAJ-HHHXNRCGSA-N 473.548 5.243 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 613402680 FQXNQOOVWSFMHI-HNNXBMFYSA-N 474.394 6.437 30 20 JKED N#C[C@@H](C(=O)c1cncc(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281750 PKQLHMLZSGZZFP-ZDUSSCGKSA-N 453.148 5.764 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccc(NC(C)=O)c2)c1 725910632 RTDHQDZEWBTBJX-UHFFFAOYSA-N 498.988 5.037 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccs2)c1 726397469 OMPNHTIWIZIIOJ-JOCHJYFZSA-N 495.626 5.234 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(CC[C@@H](C)OC)C2=O)cc1Cl 726400693 QMAVDCRGGJMKKZ-IIBYNOLFSA-N 490.025 5.042 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C#N)c(Cl)c1 726406465 KLBMGMZWPZCKFU-MRXNPFEDSA-N 481.792 5.499 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)cc1Cl 726410298 YVKQTJAZWPIZIO-HXUWFJFHSA-N 498.992 5.573 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1csc2ccccc12)c1cccs1 726414920 DKARUKYUQWIRLA-HDZCJKIKSA-N 469.657 5.193 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CC(C)C)C1=O 726416211 SRZGPDWFWRFSLY-QFIPXVFZSA-N 469.607 5.099 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCOC(C)(C)C)c1cccs1 726418220 ASLSLFYASSRUJZ-XDIPYHTFSA-N 477.627 5.092 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 726421244 OTNRLCSOBFCTEY-ZFUXXOLZSA-N 496.702 5.073 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@@H](C)c1cccs1 726421825 PXTBTIOPUUENQK-OJMJRNKJSA-N 483.581 5.957 30 20 JKED Cc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1NS(=O)(=O)c1ccccc1 726460793 OBFQRWUSXCLVPP-UHFFFAOYSA-N 456.980 5.130 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c1 727650065 GTTXLPWWJBCPLF-VWLOTQADSA-N 498.608 5.366 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)cc2F)c1 728183392 ULLGRHFYZPXDEG-UHFFFAOYSA-N 477.883 5.177 30 20 JKED C#Cc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)nc1 729009797 CFFAIXDOIKEEHE-UHFFFAOYSA-N 487.968 5.230 30 20 JKED CN(CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1)C(=O)OC(C)(C)C 729038289 MGNKJPVAMLMLQD-UHFFFAOYSA-N 464.566 5.461 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)cc1 729069296 HZNWFEJDQSAEHM-MRXNPFEDSA-N 470.360 5.221 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F)[C@H](C)c1ccc(C#N)cc1 729175385 UKQVWAQQFUVCDM-RBUKOAKNSA-N 491.588 5.061 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)cc1 729632949 BPSNABMTKTXZMY-JOCHJYFZSA-N 480.540 5.137 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(C2CCC2)C1=O 730462526 NVDOPHZYSGJHQD-HOCQLMGASA-N 471.648 5.479 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3cocn3)C2=O)c1 730714554 UHZOPQTXICPQGP-FQEVSTJZSA-N 486.956 5.244 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 730993494 AGSCOELYTDLABM-HXUWFJFHSA-N 495.714 6.512 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1 731067273 XZJGOZNPFXDYCA-MRXNPFEDSA-N 479.583 5.048 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)s2)n1 731075583 FQQYJNIUGGPOCK-ZDUSSCGKSA-N 492.047 5.501 30 20 JKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731079178 YHDFVPDSRYHWRV-INIZCTEOSA-N 483.977 5.329 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccc2F)C1=O)Nc1cccc(O)c1 731305008 DTBUKGDGKWMSGA-OAQYLSRUSA-N 483.952 5.345 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)cc1C 731310375 GRNSTZAPRSCSRX-MBSDFSHPSA-N 474.586 5.126 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2c(c1)CCC2 731312172 IRRVNDRNZRZISH-XDHUDOTRSA-N 489.597 5.065 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 744587931 WJJAVXWLMVLTEL-HSZRJFAPSA-N 466.946 5.258 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744993452 HZCCOSDGHBFCCK-DEOSSOPVSA-N 480.593 5.188 30 20 JKED C=CCc1cc(/C=C(/Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)cc(OC)c1O 747063287 GGNAHIIVPYZRGB-WOJGMQOQSA-N 450.947 6.244 30 20 JKED C=CCc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc(OC)c1O 747063657 PXGPOPJDICNKEH-MHWRWJLKSA-N 462.358 5.623 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O)Nc1cccc2ccccc12 747601255 FDUWUPIUUHDXSM-JOCHJYFZSA-N 490.585 5.596 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cscn1 747603872 ZZXCNVUSTQZJKU-IBGZPJMESA-N 488.997 5.405 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 748989581 TZMSAJLYVYKMMH-SANMLTNESA-N 461.525 5.311 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 749485966 ITFDMXZGHJAYTF-RPWUZVMVSA-N 488.385 5.348 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CSC3=NCCS3)c2C#N)C(C)(C)C1 796890676 OCGJOFFHYGMUKB-SNAWJCMRSA-N 485.725 6.542 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 837296474 OMJGHYHULAEXBP-YCRPNKLZSA-N 499.423 6.110 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837362474 ZLWNNQMIEXFKRX-QRQCRPRQSA-N 496.539 5.090 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CCc2cccs2)C1=O 837381505 LGTNCRBYLJZRLR-QFIPXVFZSA-N 479.627 5.268 30 20 JKED O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)[C@H](F)c1ccc(C(F)(F)F)cc1 857496019 IPTWHGIGGLJFRX-QGZVFWFLSA-N 465.365 5.437 30 20 JKED C=CCn1c(SC[C@H](O)c2cccc(Br)c2)nnc1-c1ccc(Br)cc1 913112630 CFQZDPKONXGJNJ-KRWDZBQOSA-N 495.240 5.482 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2OC)ccc1Cl 914495439 MSJRFAWQZLBIFW-UHFFFAOYSA-N 492.931 5.260 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1C 914547479 YEIIHZXYJDBNKM-HYBUGGRVSA-N 472.614 5.098 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)c(OC)c1 914555260 MEXAPWJLDNUZGJ-UHFFFAOYSA-N 482.997 5.096 30 20 JKED N#CCCCCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 914597698 DUWXAZUVLJKDNZ-UHFFFAOYSA-N 461.374 5.570 30 20 JKED Cc1c(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)sc2nc(C(F)(F)F)ccc12 914679717 IMJITXBLMVDANZ-CYBMUJFWSA-N 479.455 5.255 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 915103333 SSPCXZOTSDNLEE-MJGOQNOKSA-N 458.370 5.561 30 20 JKED N#C[C@@H](C(=O)COc1ccc(F)cc1Br)c1nc2cc(C(F)(F)F)ccc2s1 915104597 TVIBKSLBRGBVOJ-NSHDSACASA-N 473.245 5.472 30 20 JKED CCCN1C/C(=C/c2csc(-c3ccccn3)n2)C(=O)/C(=C/c2csc(-c3ccccn3)n2)C1 915982712 YQTXIJDTWHAGHG-MGYAYREDSA-N 485.638 5.485 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2ccc(SC(F)F)cc2)CC1 916055333 JLRFPZITOFGTCT-UHFFFAOYSA-N 459.474 5.081 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccccn2)C1=O 916207469 YSIDMNAXBNHLGX-XMMPIXPASA-N 488.613 5.374 30 20 JKED N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916652503 ANQMBHYMDSPHSL-JTQLQIEISA-N 482.776 5.491 30 20 JKED N#C[C@@H](C(=O)CCCc1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1Oc1ccccc1 916905599 MJARDVOSPJEZCG-NRFANRHFSA-N 466.497 5.199 30 20 JKED N#C[C@H](C(=O)CSc1ccc2ccccc2c1)C(=O)Nc1ccccc1Oc1ccccc1 916906601 FPQGZPJFGGLOCT-HSZRJFAPSA-N 452.535 6.072 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 916915109 CZUGOYCARFNVSF-DEOSSOPVSA-N 462.981 5.375 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 916924919 GZXNIGKVFLAXEP-SFHVURJKSA-N 485.371 5.085 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927813 OTRDGDFFEMVKPF-CQSZACIVSA-N 464.761 6.040 30 20 JKED COCc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2cccc(F)c12 916945040 QVRRXOAHCQRLDL-CYBMUJFWSA-N 451.306 5.455 30 20 JKED C[C@@H](NC(=O)OCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997075 QCSNEZZIOKEKEV-DYVFJYSZSA-N 474.369 5.608 30 20 JKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044861 VODGLTHGHWYMIK-GXSJLCMTSA-N 459.276 6.266 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)[C@@H]1c1ccc(OC)cc1 917046104 FISZTOBEAKXACX-YYDVJCTNSA-N 482.005 5.524 30 20 JKED C=CCN(C(=O)/C=C\c1ccccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 917370009 LLKBQGWACPWVJY-RAXLEYEMSA-N 458.992 5.099 30 20 JKED C=CCN1C(=O)N[C@H](c2cc(F)ccc2F)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 917375353 BABPDWZTKHYQKG-LJQANCHMSA-N 451.395 5.149 30 20 JKED C#CCN(Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S)[C@@H]1CCc2ccccc21 917456895 NHSWDUNYIZYXLP-RUZDIDTESA-N 451.599 5.105 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC(Oc3ccc(C(C)C)cc3)CC2)c1=S 917468786 XSDCIIAAJXRYDN-UHFFFAOYSA-N 483.726 5.253 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cs1 917562042 UGDTVCAMBSAINK-UITAMQMPSA-N 451.762 6.684 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/SC(=Nc3cc(C)ccc3C)NC2=O)cs1 917564085 WOGJSPNMICZJMM-RGVLZGJSSA-N 466.563 5.475 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)N3CCc4sccc4C3)c2C#N)C1 917599123 HISVDJADBHPCBJ-INIZCTEOSA-N 455.649 5.136 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c1C 917669689 DCCJEDBTEGPOMZ-CQOQZXRMSA-N 494.636 5.030 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccc2)C1=O 917704522 KYALJHYXESSDGX-VWLOTQADSA-N 498.608 5.508 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 920013643 ADJHZTAJBRDLAE-UHFFFAOYSA-N 473.330 5.582 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)COc1ccc(C2SCCCS2)cc1 920102827 ZVPMKRCHPZTRJI-LJQANCHMSA-N 450.585 5.316 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2cc(C)nc(C)n2)c(OC)c1 920108285 SQAUMELHVWKFBB-QFIPXVFZSA-N 454.530 5.068 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c(SC(F)F)nc4ccccc43)n2)cc1 920141643 KWVJBHFLWQFGND-OAHLLOKOSA-N 465.510 5.223 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2ccco2)C1=O 920173148 NLEFLWCLVUTLGA-JOCHJYFZSA-N 491.569 5.064 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(C=NN[C@@H](C)c2ccccc2)cc1OC 920385384 BSVTUBGGTABISF-KRWDZBQOSA-N 467.953 5.059 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(F)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 921295440 UYVMEOVWHHAMFZ-IBGZPJMESA-N 467.850 5.663 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 927533668 NIWKUCQLUPDOFS-AWEZNQCLSA-N 457.914 5.095 30 20 JKED Cc1nc2sccn2c1C(=O)NC1(c2ccc(NC(=O)C#Cc3ccc(Cl)cc3)cc2)CCC1 1786042624 RQABQDCVZPFEOD-UHFFFAOYSA-N 489.000 5.157 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccccc3Cl)CCC2)cc1 1786366590 NVXYJJUSMFYDGY-UHFFFAOYSA-N 454.998 5.390 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(OC)ccc4o3)CCC2)cc1 1786679028 VAQWORRRDUBRSB-UHFFFAOYSA-N 450.560 5.108 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cn3)cc2)CCC1 1786873426 FEUMXOOMJKUJMO-UHFFFAOYSA-N 489.538 5.150 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)on3)cc2)CCC1 1787544741 WOQGEGVRPANESR-HXUWFJFHSA-N 496.608 5.015 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)NC3(c4ccc(NC(=O)CC#N)cc4)CCC3)c2c1 1787646089 DWWQHRKSURUCQU-UHFFFAOYSA-N 459.546 5.301 30 20 JKED C#CC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)cc2)CCC1 1788375741 PPAKJZKUCUPWLT-UHFFFAOYSA-N 463.459 5.148 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)cn1C 1788796379 BFOXTVMRRXNJNE-UHFFFAOYSA-N 480.490 5.286 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CCC1 1789740041 PMJXMUHUBPBFTD-UHFFFAOYSA-N 462.377 5.119 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](N)c4cccc(Cl)c4)CCC3)cc2)c1Cl 1790081797 OAWZIHQEJZRDRY-QHCPKHFHSA-N 493.394 5.313 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Br)cc3)cc2)CCC1 1790471758 PAHFMMAKAYUWIP-UHFFFAOYSA-N 483.406 5.156 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1790568129 NNQOWTPXGNDADN-MQNAVGNWSA-N 467.997 5.379 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)cc2)CCC1 1790817310 KZZRWTWOBLTMHE-NRFANRHFSA-N 490.522 5.035 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(Cl)c5)CCC4)cc3)c2c1 1790836267 ZCMDUCKTHWEBLA-UHFFFAOYSA-N 469.932 5.149 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5ccsc5[nH]4)cc3)CCC2)cc1 1790875849 AXRJEQWMBBZIIY-UHFFFAOYSA-N 454.555 5.091 30 20 JKED Cc1cc(C)n2ccc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@H](C)C#N)c5)CCC4)cc3)c2n1 1791004815 IBOMFRBPLLAEFD-LJQANCHMSA-N 491.595 5.640 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)CCC2)cc1 1791253796 HQKZWCOUFNPNEA-CQIJRDABSA-N 481.637 5.121 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)CCC2)cc1)C(F)(F)F 1791302766 WLOVALQHLUIGMW-IBGZPJMESA-N 495.542 5.029 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(I)cc34)CCC2)cc1 1791587392 RCUGUUWRGHGIFX-UHFFFAOYSA-N 499.352 5.096 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3C)CCC2)cc1)c1ccc(O)cc1 1791642031 UPLNJIAIWWAJHS-VWLOTQADSA-N 495.623 5.360 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)CCC2)cc1 1791730019 CZBGEWZQLFFCFC-GRYUFTJMSA-N 493.648 5.102 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Br)s3)cc2)CCC1 1791833757 IWXGTLJQTKXZEK-ACCUITESSA-N 457.393 5.071 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nccnc5c4)CCC3)cc2)c1 1792123556 IVJZDUIYTDTVBZ-IBGZPJMESA-N 475.552 5.318 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccccc5n4)CCC3)cc2)c1 1792124012 YETVKZXBKIZERX-IBGZPJMESA-N 475.552 5.318 30 20 JKED COc1cccc(OC)c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124680 CZARIUREBXWYON-IBGZPJMESA-N 483.568 5.392 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792207276 CFUZHFYHUCAWQP-LEWJYISDSA-N 483.653 5.370 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4ccccc4c2Br)C3)c1 1799602925 JMUSGGKFSZGNJA-WKCHPHFGSA-N 488.385 5.040 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([C@@H](C)C(F)(F)F)cc1 1801457804 NJUXBMGDMQHCBS-PHNZBSFLSA-N 462.556 5.302 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@H]2c2cccnc2)C1 1802419269 ZMSJALOUFPYXHC-BDYUSTAISA-N 451.570 5.034 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1802443711 RUKHYFJMBAFUSO-GPWXESPCSA-N 491.016 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2ccc(C)cc2)[C@@H]1c1cccnc1 1802495816 FMJOAQOXOUWMNN-RCZVLFRGSA-N 465.663 5.181 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1802497729 ZIRDZNZMGBDRHZ-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)[C@H]1c1cccnc1 1802501941 DHOJDNRUANBGOG-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@@H]1c1cccnc1 1803077300 JGPFNCRGNBGTES-RBJSKKJNSA-N 498.627 5.173 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(-c5ccc(F)cc5)cc4F)CC3)C2)C1 1804785538 JCRDZKHTMYTKGF-UHFFFAOYSA-N 464.556 5.443 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(C#N)cc4)C3)CC2)cc1Cl 1804945714 RIADYUPAUXUEPC-UHFFFAOYSA-N 494.035 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)CC1 1805612302 ZPVFSLBLZMQJCN-YPAWHYETSA-N 456.577 5.068 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC3(CCCN(C(=O)C#CC4CC4)C3)CC2)cc1Cl 1805889840 HMNMHTMFKUXDHW-UHFFFAOYSA-N 477.432 5.039 30 20 JKED O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC2(CCCN(C(=O)C(F)(F)C(F)F)C2)CC1 1806500641 FCXOWTGTYSLNRL-UHFFFAOYSA-N 488.831 5.104 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1808463160 NGTQZSLCCMDDSA-AOYPEHQESA-N 484.600 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1809756354 RISDQLQLJZURJZ-AVRDEDQJSA-N 467.660 5.670 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)CCc4ccsc4)C3)CC2)cc(C(F)(F)F)c1 1810041320 NHAUAIJFPZCGIH-UHFFFAOYSA-N 489.563 5.116 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1810432520 ZYHVUEBHFUBQOF-LSCGWGKXSA-N 491.607 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1810491260 BJYDURIZHVZYDF-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810531638 MSHBJBQAAHJOIS-AHWVRZQESA-N 477.674 5.265 30 20 JKED Cc1cccc(C)c1C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1811403424 OCRIGZSEURTXTH-SQHAQQRYSA-N 475.709 5.069 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302151 PSAYUZASSXVSAY-SKCUWOTOSA-N 497.595 5.283 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813868057 KAUIAIQAYKVPPA-KPGYKUMBSA-N 480.612 5.465 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)s1 1814499145 SRJICYIMJAHLIE-NRFANRHFSA-N 490.633 5.019 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)[nH]n1 1815209270 APFBLMJXUBEFRB-HXUWFJFHSA-N 479.408 5.314 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1815653186 DJNXMMZHRSQMLE-LJQANCHMSA-N 491.539 5.135 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4ncccc4c3)n[nH]2)c(Cl)c1 1818478226 QNSYFOVTSOZAEG-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3nc(C)sc23)n[nH]1 1818534996 SIBAJXCCUZWYDG-OAQYLSRUSA-N 463.607 5.402 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)[nH]n1 1819553366 DLNGIRMUXZQXNK-JOCHJYFZSA-N 482.625 5.044 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)cc1 1820549048 FPOYKOYXCCQNIT-KRWDZBQOSA-N 461.572 5.177 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c1 1821042712 AKOGQVREHKYXPD-OAQYLSRUSA-N 465.916 5.002 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c(Cl)c1 1821044002 QWWXXISJKGBQNM-HXUWFJFHSA-N 486.334 5.347 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126071 HPDBHGOZPHIKCK-WMZOPIPTSA-N 488.963 5.342 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n[nH]1 1821788369 NBTJCUSPMACPDK-DYESRHJHSA-N 474.527 5.114 30 20 JKED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)[nH]n1 1821874795 CTIDVQFPHADHDM-ZPHNUYGRSA-N 487.579 5.086 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1821925382 QXGAAMODVAEPBZ-VGOFRKELSA-N 456.546 5.827 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)c1 1822962059 HMISUPYQDMQUFT-SABCTYFRSA-N 459.594 5.313 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)[nH]n2)c1 1823211757 IFGVHWPUCWNKDI-VBKZILBWSA-N 484.482 5.003 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c(C)c1 1824053746 DMNXLCGHGNKRDA-MHZLTWQESA-N 487.644 5.050 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 1824143246 IXLNBTPOTOOENN-HSZRJFAPSA-N 459.030 5.350 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)CC1 1824422432 SRFBEWIIIMHCGS-SVBPBHIXSA-N 464.650 5.079 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1824501941 XFZRTABVRCDBEW-QFIPXVFZSA-N 484.534 5.061 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1824960435 MMQXFHBUUQNQNA-HSZRJFAPSA-N 475.098 5.301 30 20 JKED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)CC2 1825126027 CMWODWAUTOYPDP-DOMZBBRYSA-N 476.524 5.081 30 20 JKED Cc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)s1 1827967461 FVWAEKKZLXBIDE-MHZLTWQESA-N 497.664 5.398 30 20 JKED Cc1ccccc1NCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828905492 RYRRKELWESUNKN-AREMUKBSSA-N 481.757 5.078 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)nc2C)CC1)c1ccccc1 1829031924 HBBPVSUQWTYASC-WUFINQPMSA-N 471.645 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1829067574 RTHJXFJCLFNBJN-RUZDIDTESA-N 482.665 5.270 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cccnc34)CC2)c1Cl 1829690378 ZFGUAORTAQRSLV-DEOSSOPVSA-N 487.003 5.307 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)ccc1F 1830360313 KDNKAVQKLPOVBE-AREMUKBSSA-N 496.026 5.146 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)s1 1830717353 LJKYBPXENQBMMI-DRBUTMMVSA-N 465.594 5.014 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1831373623 GPRNCIXSFHHJQJ-HRAATJIYSA-N 454.508 5.290 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1831375880 GPQNZZOYBHZFSZ-VHHYPFNNSA-N 473.455 5.294 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F 1831450214 IKLBFNKGFVBPSJ-NDDJGDGRSA-N 488.472 5.457 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1831503730 OPHCDAQBPUCXDB-LXFBAYGMSA-N 471.645 5.304 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831744693 CRIYPYNTIQAOCW-QHCPKHFHSA-N 478.649 5.449 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831751867 AJKKXCZNJOKHOJ-BDYUSTAISA-N 454.630 5.379 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1831842740 OSWXQLNQPIMWEF-FNZWTVRRSA-N 487.669 5.453 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1832028499 QFCAKNBXVNSMPV-DEOSSOPVSA-N 454.014 5.248 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1832030071 FYVWKWBUSVVBTL-OAQYLSRUSA-N 467.412 5.559 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c1 1832631224 BFIZTVGYBOYMEK-RXFWQSSRSA-N 469.585 5.607 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 1832633595 LHOQKDJRIYALGP-AVRWGWEMSA-N 465.544 5.139 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)CC1 1832657895 KUJDOWUVIYUXTG-GMAHTHKFSA-N 459.030 5.350 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(Cl)c1 1832663118 BPWPKYMYOXIXLL-NIYFSFCBSA-N 494.035 5.523 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832673938 RSKJYJCOIUELGW-NIYFSFCBSA-N 494.035 5.523 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832732337 PSWIDMHKBANADY-RUZDIDTESA-N 468.613 5.041 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCC2)CC1)NC(=O)OC(C)(C)C 1832752976 OTCYOQVTDRMKCH-BJKOFHAPSA-N 489.701 5.046 30 20 JKED C=CCSCC(=O)N1CCCC12CN(C(=O)[C@H](c1ccc(OCc3ccccc3)cc1)C(C)C)C2 1841885494 QVMULZPSRMNDQM-MHZLTWQESA-N 492.685 5.128 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1c(F)cc(Cl)cc1Cl)C2 1844253399 BFYCZDOMNFSAIT-UHFFFAOYSA-N 469.460 5.001 30 20 JKED Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2ccc(C#N)cc2Cl)C3)c2ccccc12 1847151859 KAHIEZBJKDEZGR-UHFFFAOYSA-N 471.988 5.123 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 3490612 NCSPWRUANZUILX-HNNXBMFYSA-N 460.946 5.030 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1cccc(C)c1C 10167721 ORAKHJBOLAISHJ-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)cc2C)cc1 10168608 ITAOOTYIQNGIKE-UHFFFAOYSA-O 467.605 6.824 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)c(C)s1 10172451 NHEYZDNAYQWEGH-UHFFFAOYSA-O 459.616 6.496 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)cc1 10172465 MTKQVIRBKIWBNO-UHFFFAOYSA-O 471.558 5.532 30 20 JKED COc1cccc(-c2nnc(SCC(=O)NC3(C#N)CCCCC3)n2-c2ccc(Cl)cc2)c1 11462261 HTVCQWYNTGRSPD-UHFFFAOYSA-N 482.009 5.031 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2scc(-c3ccc(C)cc3)c2c1=O 20794618 SRNCPVOIHOQYHP-UHFFFAOYSA-N 492.582 5.258 30 20 JKED C=CCn1c(C)nnc1SCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 21437729 KKRCJJPUAGSYHD-UHFFFAOYSA-N 487.960 5.223 30 20 JKED C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 22719757 JFBSAJPVELZHJE-OAUONFCTSA-N 450.318 5.150 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccccc2C)nnc1-c1ccc(Br)cc1 24015698 RABRHXZCOOUSPU-KRWDZBQOSA-N 485.451 5.341 30 20 JKED C=CCn1c(SCC(=O)c2ccc(CNC(C)=O)s2)nnc1-c1ccc(C(C)(C)C)cc1 24732356 UTPALXFTLBKMNL-UHFFFAOYSA-N 468.648 5.101 30 20 JKED N#C[C@H](C(=O)CSc1nnc(NCCc2ccccc2)s1)c1nc(-c2ccccc2)cs1 26113635 IJHFAJJIEHVTPG-GOSISDBHSA-N 477.640 5.285 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(SC(F)F)cc2)c1 28781513 CNWJAMSMVHMBHY-UHFFFAOYSA-O 498.427 6.955 30 20 JKED C=CCn1c(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2cc(-c3ccccc3)sc2c1=O 31741467 HHQFDBGQHJCEJQ-UHFFFAOYSA-N 493.013 5.493 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C 32785240 QMLZDTZDHYUJOL-NRFANRHFSA-N 474.552 5.829 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c(C#N)c1C 107766559 PCPWCFBDZOEJJP-UHFFFAOYSA-N 465.579 5.043 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)c2)c1 303051875 VODZNMYVLZVSDM-VXKWHMMOSA-N 460.331 5.315 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cccc(OCc2ccccc2C#N)c1 303101009 HQSRALYULUYYRH-UHFFFAOYSA-N 451.526 5.497 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 303206603 PSXULFXPPAUSMI-UHFFFAOYSA-N 451.530 5.166 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1Sc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 488047368 YQIZKLQVBPVWAU-UHFFFAOYSA-N 494.411 5.618 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)cc1 490007118 CCCJKBIJQKUWPL-UHFFFAOYSA-N 468.582 5.146 30 20 JKED C=CCN(C(=O)c1nc(-c2ccco2)sc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 494017543 ABDQUGWEVBQOQF-UHFFFAOYSA-N 452.517 5.576 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1C 495408418 PBXCCTWSRWUKMQ-UHFFFAOYSA-N 470.495 5.090 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 501159829 JOUFWESUPDAQAP-UHFFFAOYSA-N 475.470 6.105 30 20 JKED N#Cc1c(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2F)sc2c1CCCC2 503228427 FKCVKTJKESFMCF-IFZYUDKTSA-N 469.557 5.189 30 20 JKED C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Oc2ccccc2)cc1 506333307 DJDLUTYTCBXGGE-LJQANCHMSA-N 482.540 5.692 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 509003109 WNVRPNZORRLATN-UHFFFAOYSA-N 489.635 6.184 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 509263286 KSEIGOISSIFWPO-UHFFFAOYSA-N 488.513 5.468 30 20 JKED N#CCCCCNC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 510018492 JPSKZTLMFOEPMU-UHFFFAOYSA-N 450.408 5.587 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1Cl 510044461 LNXSERWRPUGEDL-RUZDIDTESA-N 476.983 5.921 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(CN2CCCC2=O)cc1 510700170 MOEHOFDOASBQND-UHFFFAOYSA-N 454.530 5.103 30 20 JKED C=CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512384487 QTXBNVOHLFFNHV-UHFFFAOYSA-N 496.548 6.002 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513158808 CYBIFIAUVZCSPM-MRXNPFEDSA-N 460.868 5.953 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513211175 VUSMWEHJSZLJHY-MRXNPFEDSA-N 460.868 5.953 30 20 JKED CC(C)CC(=O)Nc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513942179 LNICCWCZCWURRE-UHFFFAOYSA-N 458.537 5.916 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccc(OC)cc1 514584638 WEXFTLMUNNLTES-DEOSSOPVSA-N 486.597 5.620 30 20 JKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)NCCc1c[nH]c2ccccc12 514961887 DJANUFBKZSBOHO-INIZCTEOSA-N 456.571 5.023 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 515470828 QEULKEZKSDQZHY-UHFFFAOYSA-N 473.576 5.797 30 20 JKED Cc1ccccc1-c1cc(C(=O)Nc2cccc(OCCCC#N)c2)c2cnn(C(C)C)c2n1 515619728 KLXFXGHGIUVBOL-UHFFFAOYSA-N 453.546 5.923 30 20 JKED COc1cc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(OC)c1OC 517094654 BIUIWHQJFCGESA-QGZVFWFLSA-N 462.571 5.367 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 518480065 HITNSZYSZNHPQO-QKLQHJQFSA-N 480.515 5.090 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)[C@H](C)c1cc2ccccc2o1 518551157 OLHNWPJKJNJLTO-GOSISDBHSA-N 468.513 5.348 30 20 JKED Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 518935294 XUZDCHPVHFLRIK-UHFFFAOYSA-N 469.439 5.014 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)c1 519993633 DNTFYJXYBOKMSY-UHFFFAOYSA-N 492.988 5.364 30 20 JKED CCS(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 520164770 MQCSTTQAEGNTPM-INIZCTEOSA-N 465.383 5.401 30 20 JKED Cc1ccccc1C1(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CCOCC1 520406223 MMVWIJOBCJVOKG-UHFFFAOYSA-N 499.636 5.076 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 521335286 NWZDTRYLIJMIPV-UHFFFAOYSA-N 471.410 5.106 30 20 JKED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 561557754 PYQHFECQXRBMDT-UHFFFAOYSA-N 450.489 5.224 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(COCC)c2)nnc1-c1ccc(Cl)cc1Cl 588048848 PLQKBZLYLYBESR-UHFFFAOYSA-N 477.417 5.705 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)c1 589382838 NKMCQNCPHVGEEO-UHFFFAOYSA-N 457.324 5.532 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCO[C@@H](c2cccc(F)c2)C1 589709806 HQGULPPATBBDAZ-GOSISDBHSA-N 496.379 5.313 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OC(C)C 603649051 ROHUHHLWTUKPDJ-INIZCTEOSA-N 450.564 5.284 30 20 JKED COc1cc(-c2cc(/C=C/c3csnn3)c(C#N)c3nc4ccccc4n23)cc(OC)c1OC 603748279 LUJVZHXQCFTESN-CMDGGOBGSA-N 469.526 5.074 30 20 JKED N#Cc1c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)nc2c(c1-c1ccco1)CCC2 603818604 SUOHJJPOLDORLO-FQEVSTJZSA-N 484.537 5.358 30 20 JKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 603818634 VUCBFKORQCWIQZ-LBPRGKRZSA-N 468.922 5.383 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 604128024 LILAJRVDXDKWAS-QFIPXVFZSA-N 452.327 5.391 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 609000958 FLYHDLXXSMOZEV-VWLOTQADSA-N 457.574 5.481 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](Cn3cnc4ccccc43)c3ccc(F)cc3)o2)cc1 609058106 UXZOZPJHDIYJCX-RUZDIDTESA-N 480.499 5.390 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C(F)(F)F 609073052 UZWKHSJYDUQBGR-UHFFFAOYSA-N 476.886 6.013 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 609079564 GJHHNTDEIKXJML-UHFFFAOYSA-N 486.547 5.467 30 20 JKED N#C[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccc(OCc2ccccc2)cc1 609171857 GTVYAEGITYTVRS-QHCPKHFHSA-N 459.933 5.040 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1Cl 609206408 IXCFSVBEOJBPFU-XMMPIXPASA-N 497.986 6.457 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 609376913 LQWKGBMQCDDDHS-IBGZPJMESA-N 452.583 6.352 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1noc(-c2ccc(Cl)cc2)n1 609389657 HFUJJQGADTUNDF-AWEZNQCLSA-N 458.996 5.656 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 609404229 LIPMECOQAVXRCH-YWZLYKJASA-N 463.525 5.409 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 609428610 XHYKAEWHXGLBOX-JPYJTQIMSA-N 478.017 6.234 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 615432246 BSFMBSWQYBKNFG-WDEREUQCSA-N 467.328 5.876 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCC[C@@H]1c1cccc(F)c1 615491891 IMHSCNZQHXCYIQ-GOSISDBHSA-N 480.380 6.077 30 20 JKED O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618543519 VKWRNLURQLWFGW-TXEJJXNPSA-N 493.370 5.137 30 20 JKED Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)CC2 622485823 ZMFULLGWXHXETF-NHYWBVRUSA-N 485.350 5.347 30 20 JKED O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623851384 VGNOTBWULXMZKJ-OKILXGFUSA-N 465.369 5.285 30 20 JKED O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1C(F)(F)F 642193688 ZCYJZBXQUMFJFF-YUMQZZPRSA-N 477.776 5.547 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Br)cc2)n1C 726320113 SOJHGCQLPWHLTQ-FQEVSTJZSA-N 478.390 5.541 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC[C@@H](C)OC)cc1 726392130 FECNRVSCKLFTAI-KOSHJBKYSA-N 491.613 5.234 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CC[C@@H](C)OC)C1=O 726396467 FCQRGDKIOZSQTJ-IERDGZPVSA-N 490.025 5.042 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1Cl 726396594 FTXNKXUCCJZCEK-OXJNMPFZSA-N 459.999 5.034 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cc3ccccc3[nH]2)c1 726411965 KYQCEDUFHRKGFC-VWLOTQADSA-N 496.567 5.449 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccsc1)c1cccs1 726419679 GMMIDYKWFUTGFG-CJCAPXLESA-N 455.630 5.400 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S/C1=N\[C@@H](C)c1cccs1 726420802 JDVSMKFVLURROE-SHZNUGFISA-N 481.643 5.328 30 20 JKED CC(=O)N(c1nc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cs1)c1ccc(F)cc1F 726426747 DZPOMGKAEXYTOW-UHFFFAOYSA-N 465.407 5.442 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)[n+]2cccc(C)c2)c1 726573307 WZHVSQWDZKCFNQ-UHFFFAOYSA-O 463.582 6.379 30 20 JKED Cc1ccc(NC(=O)c2cccc(OC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2)cc1 727642181 APOJIUMLRODOPK-UHFFFAOYSA-N 495.495 5.152 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3cccc(C)c3)cc2)cs1 727655323 VOMWQHWPZRZOJO-WJDWOHSUSA-N 482.605 6.920 30 20 JKED CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 728192121 CSDMGERHMLUUQG-DEOSSOPVSA-N 475.520 5.481 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1 728780762 YJJQFAAWYWQGMU-QFIPXVFZSA-N 484.572 5.742 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 729144044 AIDZLKLKZCFQBR-SFHVURJKSA-N 488.997 5.405 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730461673 RBUPHWKUDMZQLK-FQEVSTJZSA-N 475.536 5.781 30 20 JKED COc1ccccc1-c1nc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cs1 731079480 WMWATISVJHFFAV-OAHLLOKOSA-N 467.572 5.008 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c1 731305836 GVMWTBIMYYJWLG-WZONZLPQSA-N 474.586 5.126 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2Cl)o1 731307583 UMMIJTCCTDSRNB-NRFANRHFSA-N 483.977 5.150 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)cc1F 731308712 MKZUKGJBVJLEOD-OPAMFIHVSA-N 481.549 5.024 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCCC#N 731310139 BDLRXWZJEPJOIA-FQEVSTJZSA-N 470.982 5.008 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)c1 731312007 HJGDBJWWDLPWOE-FQEVSTJZSA-N 483.590 5.370 30 20 JKED C[C@@H](Oc1cccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)c1)C(=O)O 745020303 DCFBSMXFXANJKG-LJTDUEICSA-N 458.333 5.321 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccc2C)C1=O 838533260 IPZYTAUEHGEIDC-HSZRJFAPSA-N 495.551 5.442 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCc2ccccc2)C1=O 838536038 YYNSMDYFSAGKMJ-QHCPKHFHSA-N 495.551 5.176 30 20 JKED C[C@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 857838325 LUALFECJNGVDBH-YFKPBYRVSA-N 472.382 6.130 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(C)C)c1 913119420 NDNMJWIFDWXHGX-XMMPIXPASA-N 488.613 5.415 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1OCc1ccncc1 914691259 AGOZALWMXIEFDM-UHFFFAOYSA-N 451.555 5.167 30 20 JKED CCOc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCC(=O)N1CCCCC1 915088730 WQONVFWAUQEIMQ-SANMLTNESA-N 497.595 5.384 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CCc2ccc(C)o2)C1=O 915111330 LLBLQAOLMKCFCR-HSZRJFAPSA-N 477.586 5.108 30 20 JKED CN(Cc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1)C(=O)C(F)(F)F 915113202 QTVOELSLHFUHFI-UHFFFAOYSA-N 494.105 5.189 30 20 JKED CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 915353808 XRNTUAGGMOWYBQ-ZEQRLZLVSA-N 486.528 5.455 30 20 JKED CCOc1cc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3ccc(O)c(OCC)c3)C2=O)ccc1O 916154604 NJFLTWMBVVKFDB-YBOYZMIGSA-N 495.575 6.187 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)c1 916156608 VSFQSUMBCJLNMZ-SHQCIBLASA-N 451.570 5.450 30 20 JKED COc1cc(C=Nn2c(S)nnc2C(C)C)ccc1OCc1cccc(C(F)(F)F)c1 916312560 DPMOUIRFWDWHGF-UHFFFAOYSA-N 450.486 5.179 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916907701 WSSZCGKOBIAXGN-HSZRJFAPSA-N 497.576 5.891 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 916914884 XITGMSRUPJQJAI-NRFANRHFSA-N 479.378 5.247 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 916919746 ZNZNVANLUNQVHB-NRFANRHFSA-N 498.926 5.975 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 916955400 QHDGAJPNISIQDW-HTAPYJJXSA-N 461.949 5.025 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995625 AERZINWACNDEHH-HNNXBMFYSA-N 465.308 6.234 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1 917559892 DRMMKZDISJRDMP-FMIVXFBMSA-N 462.571 6.900 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1 917560646 UGZWTMGHKVESMA-FLIBITNWSA-N 466.534 6.731 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 917589779 PIYIZWABSAQTMO-UHFFFAOYSA-N 466.998 5.030 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 917601097 IIALLLDYXKBPEW-UHFFFAOYSA-N 479.316 5.854 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@@H](C)c2ccccc2)c1 917609638 KHHNVFHMJXVBPX-FQEVSTJZSA-O 460.623 5.251 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)Cc2ccccc2-3)c1 917612478 SODFDVXVRVJYQC-UHFFFAOYSA-O 460.582 6.049 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1 917664133 IQNNSWCWFYBLCV-LJQANCHMSA-N 457.527 5.187 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 917680659 JVHQGMDVSHTBSF-UZUQRXQVSA-N 494.592 5.076 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)cc1 918714481 XYAODRVNJQXBFP-IZZDOVSWSA-N 465.962 5.584 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 919008208 SJVCFTRFTZFWBH-IBGZPJMESA-N 472.328 5.078 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)n2)cc1 920108908 CDBBAWGVXKKRSA-IAGOWNOFSA-N 470.381 5.655 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H]2CCc3c(Cl)cccc32)C1=O 920169900 IWWCGIHKOKYMAP-QZTJIDSGSA-N 496.004 5.410 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 920354925 IOEBUKRWEKMIQO-HXUWFJFHSA-N 486.956 5.244 30 20 JKED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1Oc1cccc3ccccc13)CCO2 1784201845 MSFMIPBCNPZERJ-WJOKGBTCSA-N 496.607 5.269 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cn(-c5cnn(C)c5)c5ccccc45)CCC3)cc2)C1 1785806792 VZUWNTMNPOWTPG-UHFFFAOYSA-N 479.584 5.078 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)CCCOc3cccc(Br)c3)cc2)CCC1 1786309079 ZLTCJFZUFGOBKC-MRXNPFEDSA-N 491.451 5.061 30 20 JKED CC(C)(C)OC(=O)NCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1786563154 BBQKMLNVOMEDAS-UHFFFAOYSA-N 490.604 5.001 30 20 JKED Cc1ccnc(-c2cc(CCCC(=O)NC3(c4ccc(NC(=O)C5(C#N)CC5)cc4)CCC3)ccn2)c1 1787880379 ANCJFFPLPPOXCB-UHFFFAOYSA-N 493.611 5.213 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CC[C@@H]4CNc5ccccc5C4)cc3)CCC2)c1 1788066851 CEPAXJADDBGGMN-NRFANRHFSA-N 496.586 5.510 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(C(F)(F)F)cn4)cc3)CCC2)c(Cl)c1 1788391203 USRDKDJECCZEIB-UHFFFAOYSA-N 499.880 5.082 30 20 JKED Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)s1 1788866373 MPQWMBRSTPBREF-UHFFFAOYSA-N 450.951 5.038 30 20 JKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)ccc2n1 1789032974 LEUVOTSYVWYWPN-STBIYBPSSA-N 466.541 5.003 30 20 JKED C[C@H](C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1)n1cccc1C=O 1789508897 VOOIRDKBYZILOW-OAQYLSRUSA-N 477.681 5.047 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CCC2)cc1 1789514059 CLGMOUDFMCEBBX-TUWCYJGISA-N 464.654 5.199 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)/C=N/O[C@@H]4CCCCO4)cc3)CCC2)oc2ccccc12 1789558408 JPVFENNJHNJWSW-MRAZWZEMSA-N 475.545 5.018 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1789561173 UCJLMWZFJRPRHQ-QRGYCXFASA-N 498.583 5.025 30 20 JKED COc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1789932895 OMNUNZSILYTKIM-UHFFFAOYSA-N 465.962 5.343 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(Cl)cc3F)CCC2)cc1 1790569913 WHZSQJNDIACCIB-CQSZACIVSA-N 480.367 5.681 30 20 JKED Cc1ccncc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790764447 ZLPUSEQRZOLGGI-UHFFFAOYSA-N 472.976 5.296 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CCC2)cc1 1791578489 DHEOJPCVEXJTHD-MSOLQXFVSA-N 497.661 5.338 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COCc4ccccc4)CCC3)cc2)c1 1792122937 VMPUKWMSWPMQOI-NRFANRHFSA-N 467.569 5.278 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCSC4)cc3)CCC2)c1Cl 1792287598 LKRQBNQPXXCWAZ-QGZVFWFLSA-N 453.995 5.103 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2ccccc2c1 1796722129 RCGJSNOQBUBQDR-BCDXTJNWSA-N 477.349 5.066 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4ccccc4c2Br)C3)cc1 1799668742 OHJFLHVAHWXSHW-WKCHPHFGSA-N 488.385 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@H]1c1cccnc1 1802501126 HLIAXSWOBJZVLS-JJHGBTGXSA-N 485.550 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)COc2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1803430408 ZFVTZSRIPUKMND-RSXGOPAZSA-N 477.649 5.084 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCNC(=O)OC(C)(C)C 1804016134 DFIGSZDKQGQEAD-KOUNCHBCSA-N 477.690 5.092 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4c(F)cccc4Cl)C3)CC2)c1Cl 1805214191 GBQRUDJLVTVKJP-UHFFFAOYSA-N 488.390 5.092 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)CC2)C1 1806027981 RAMYEUOJVLZARW-SFHVURJKSA-N 497.463 5.217 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@H]1c1cccnc1)C(F)(F)F 1806449389 CXJUEDCGRNLLAP-OCYFJXFZSA-N 473.539 5.036 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)C1 1806678747 PLRYJZJGPTXFDU-UHFFFAOYSA-N 455.451 5.066 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(OC)cc3)CCC2)[C@H]1c1cccnc1 1808226928 ULWLNFZUKPSTLX-JYFHCDHNSA-N 489.660 5.210 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808418671 GANUGTQOHAUIED-RLGOFNAISA-N 495.604 5.055 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1808424297 YPWXPULIVQHOQC-NXIZIBCUSA-N 493.673 5.050 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3occc3c2)[C@H]1c1cccnc1 1809346720 UBPZZYUIRRVTHV-RPLLCQBOSA-N 487.676 5.199 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1810273313 ULLXUYKPZSGEPX-OZXSUGGESA-N 487.676 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1810499999 KILDSOKJVZLVJG-PWKLLNGASA-N 471.601 5.539 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1810503945 SYGVXODKTSZVEH-PXDATVDWSA-N 491.035 5.595 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810930675 VQGKXMAUBLPVGJ-SXSPYAJSSA-N 489.513 5.328 30 20 JKED Cc1ccc(-c2ccccc2C(=O)NC[C@H]2CCN(C(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)cc1 1811539150 PTUYCZRNHARXCF-SHQCIBLASA-N 478.596 5.071 30 20 JKED Cc1ccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(CC#N)cc4)[C@@H]3c3cccnc3)sc2c1 1812221657 RZXHOZXRRXMJMV-RPLLCQBOSA-N 494.620 5.304 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812804582 PKZARQMAGOYSHW-OZXSUGGESA-N 457.659 5.067 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)ccc2F)n[nH]1 1814614980 DCFVGKORJALLBA-OXQOHEQNSA-N 489.389 5.386 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(F)cc4)CC3)n[nH]2)c(Cl)c1 1815626243 MNZSIJNSMAVBJJ-JOCHJYFZSA-N 491.954 5.112 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817764593 AKHNFYHJEPWORN-ZJSXRUAMSA-N 487.579 5.685 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)nc3ccc(O)cc23)n[nH]1 1819003854 FJPGLHTYNFVUNL-DEOSSOPVSA-N 473.577 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)[nH]n1 1819306004 UTPIZOCEVNUWAI-ZJSXRUAMSA-N 469.589 5.546 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)[nH]n1 1819309092 MEDLBLWLOVCXTR-UYAOXDASSA-N 481.000 5.094 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)[nH]n1 1819383939 AABBEODUXQZNBH-WDGBRCNXSA-N 494.634 5.186 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC(F)(F)F)c(F)c2)n[nH]1 1820998171 FCQOQFWTTIFJMK-KBXCAEBGSA-N 482.478 5.008 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)cc1 1821308895 MCVHYKFJGKSGHP-JOCHJYFZSA-N 495.505 5.157 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(Br)cc2C)[nH]n1 1821922967 DSYKSRSFZHTKFX-WFASDCNBSA-N 465.417 5.060 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1823888266 GXUSGHRMQXVJKE-IBGZPJMESA-N 458.027 5.338 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1)c1ccccc1 1824236376 SDEKSYQOVLIENN-LMSSTIIKSA-N 471.645 5.160 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1)c1ccc(O)cc1 1824354912 RHCKAPLXYKVYEP-XNMGPUDCSA-N 464.650 5.089 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)CC1 1824422433 SRFBEWIIIMHCGS-SXOMAYOGSA-N 464.650 5.079 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CC2)CC1 1824932230 KUJCESPIWLTQQQ-DQEYMECFSA-N 452.614 5.245 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1824960909 AHEXJSZSNWCRAQ-SANMLTNESA-N 478.658 5.631 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1827513928 USHWUALZHHVEQQ-RUZDIDTESA-N 482.665 5.006 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cccnc34)CC2)c1 1828039102 DFKZAELSQNQVEW-IDISGSTGSA-N 480.612 5.409 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(O)ccc3n2)CC1 1828093838 ZWDCWUKKEWSEKW-VWLOTQADSA-N 463.622 5.166 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828578508 QRIMCBUTAKLAPN-AREMUKBSSA-N 463.622 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 1828821906 UKPYDAKEIUHNHJ-NLDZOOGBSA-N 491.720 5.287 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1828824450 LBMPHFJLQXBRPC-RMUDUWAUSA-N 452.639 5.187 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)nc4ncccc34)CC2)C1 1829599385 LNUUKXQVKQCVST-NDEPHWFRSA-N 494.639 5.496 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)c1 1829902963 ZNHJRLQOHVKCBE-QFIPXVFZSA-N 488.390 5.551 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)CC2)c(C#N)c1 1830423259 KCMAYKHMNAVPLI-MHZLTWQESA-N 493.692 5.336 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830633329 KGLNANTXGGUFIB-JIPXPUAJSA-N 475.608 5.004 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830993043 SZQLAJUIPNKOQZ-RUZDIDTESA-N 474.004 5.106 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1)c1ccc(O)cc1 1831928584 OJFPKTVNNBZDHQ-BZXXVKJTSA-N 499.655 5.007 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1832028607 YLYSQDLFTCWUMD-NDEPHWFRSA-N 496.655 5.657 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832031933 LKAPCWPOBCGKSY-HSBSSIIGSA-N 459.634 5.303 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)c1Cl 1832478989 XQOIAULHWXBQPZ-JOCHJYFZSA-N 454.014 5.025 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)n3)CC2)c1 1832633509 IKFDNWITXJEPHR-MBSDFSHPSA-N 498.549 5.275 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633734 LTSFOVOROICZGM-AJCDHNSESA-N 470.617 5.045 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832635078 STPBYYDCUNBLOE-AJTFRIOCSA-N 457.618 5.098 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832635928 YZWXPFUJPRGLBP-NIYFSFCBSA-N 494.035 5.523 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 1832699753 NBCWTXKNAIBCRL-HHHXNRCGSA-N 466.585 5.100 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1833289500 UWCGYAGNABQAFR-LXFBAYGMSA-N 479.709 5.156 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC2(CCCN2C(=O)c2cccc([C@H](C)C#N)c2)C1 1846829948 GFJFRXKKKZFIIZ-MRXNPFEDSA-N 456.373 5.060 30 20 JKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 10172634 XKNCMXCWGVNYFZ-UHFFFAOYSA-O 459.679 7.063 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1Cl 15029225 RNUWVZLVGNFECE-UHFFFAOYSA-N 465.962 5.040 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc1 15238161 ZNBULCPZPKACJB-QHCPKHFHSA-N 491.016 5.245 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(CC)cc3)cs2)nnc1-c1ccoc1C 15278163 HLLNTVQXCKBCIK-UHFFFAOYSA-N 465.604 5.449 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1OC 15850473 ODISTFFBMUXRGG-ZDUSSCGKSA-N 484.603 5.075 30 20 JKED C[C@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16933866 FCNRMNVEKKPZHS-HNNXBMFYSA-N 499.683 5.409 30 20 JKED Cc1nc(COc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 18802994 WWTZVCYAGQGKGM-HNNXBMFYSA-N 495.626 5.417 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc3cnccc23)c1 21217920 UINYTAKJFINDPA-UHFFFAOYSA-N 477.973 5.522 30 20 JKED CC(C)n1ncc2c(/C(O)=N/c3nc(CN4C[C@H](C)O[C@H](C)C4)cs3)cc(-c3cccs3)nc21 22304529 CIRYJDVEYGKSIH-IYBDPMFKSA-N 496.662 5.443 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccco1 23202196 IHENLPUWAGWGPF-AWEZNQCLSA-N 453.593 5.045 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc3scc(-c4cccs4)c3c(=O)n2C)cc1 23539473 NOFDUWOAWPZFSZ-INIZCTEOSA-N 494.667 5.459 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nc2sc(-c3ccccc3)cc2c1=O 23559855 CTQQBAOMQBHGKT-UHFFFAOYSA-N 475.639 5.913 30 20 JKED C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 23998622 NOUMTESBLGABCY-AWEZNQCLSA-N 465.648 5.321 30 20 JKED COc1ccc(OCc2nnc(SC[C@H](C#N)CCC#N)n2-c2ccc(C)c(Cl)c2)cc1 24095787 ZQWHKYDDDULREW-KRWDZBQOSA-N 467.982 5.352 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(C)c(C)sc3[nH]2)nc2cc(-c3ccccc3)sc2c1=O 24267943 XWOBZUKIONWPNY-UHFFFAOYSA-N 492.651 5.518 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nnc1-c1cccc(C)c1 29830692 ANWGOXFOKOXQFD-JOCHJYFZSA-N 490.629 5.057 30 20 JKED CCOC(=O)CSc1nnc(/N=C(\O)c2sc(-c3ccco3)nc2-c2ccccc2)s1 31908516 XSDUAXDHKSHFIE-UHFFFAOYSA-N 472.573 5.213 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 72025278 HYISLJMYCDRLCI-UHFFFAOYSA-N 474.567 5.611 30 20 JKED Cc1cc2nc(C)c(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c(C)n2n1 107876531 OXBFZRVHZBLIMU-HSZRJFAPSA-N 457.965 5.535 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1Cl 108510642 FTYJEPQROJWDTN-GGAORHGYSA-N 461.974 5.149 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1F 195569423 FLJQLELLZCLPIP-LJQANCHMSA-N 472.589 5.657 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCCSCc1ccccc1C#N 195646865 KWCCNAHOYOUQDS-MRXNPFEDSA-N 472.035 5.538 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc2ccccc2n1C(F)F 195652867 FHWJPTJJZQDFJX-AWEZNQCLSA-N 485.288 5.658 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O 255732097 HIBRJIFCAPJKQM-FQEVSTJZSA-N 453.951 5.402 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)c1 485379336 KVNADFAKJBYINS-UHFFFAOYSA-N 476.540 5.026 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 487061083 MWZYKIJVTFKWRP-JOCHJYFZSA-N 474.948 5.759 30 20 JKED Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 491570809 VQWNCYBKKUQHDX-UHFFFAOYSA-N 456.590 5.236 30 20 JKED C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2C1 492094113 IRUZFBUPQVVSGN-OZNYCYRCSA-N 489.579 5.180 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc(OC)c1OC 498000845 INZUJDYLFZPXEQ-UHFFFAOYSA-N 467.953 5.381 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 499286230 YTVSPOLMCCWYSR-UHFFFAOYSA-N 478.668 6.064 30 20 JKED N#Cc1c(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2F)sc2c1CCCC2 503228426 FKCVKTJKESFMCF-DLPLYFIVSA-N 469.557 5.189 30 20 JKED N#Cc1c(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)sc2c1CCCCCC2 508959556 NORSCOKPKSETNB-UHFFFAOYSA-N 451.573 5.312 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Cl 510009185 FNOVJFLQMLJQFO-GBXCKJPGSA-N 472.976 5.878 30 20 JKED Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](Nc5ccc(CC#N)cc5)C4=O)cc3)sc2c1 510653463 VUMOLNUFHVPDRY-JOCHJYFZSA-N 452.539 5.082 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3sc4c(c3C#N)CCCCCC4)cs2)cc1 511072171 CIUXQZMQCDDGQM-UHFFFAOYSA-N 451.617 5.804 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3cccc(Br)c3)C3CC3)c2)c1 511498072 IBOYJZYGIPJSQS-UHFFFAOYSA-N 489.373 5.770 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 513692418 NBXMAGFTYQJISA-AWEZNQCLSA-N 466.975 5.543 30 20 JKED Cn1ccnc1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(Cl)cc1 514010911 HMYMVGQKERYNMX-RUZDIDTESA-N 487.966 5.586 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)nnc1-c1ccc(F)cc1 514290673 LPKSCHFLUJKKNT-UHFFFAOYSA-N 479.484 5.028 30 20 JKED CCN(C(=O)c1cccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c1)[C@@H](C)c1ccc(C#N)cc1 514574847 AXTWMNHDAFNPMI-SZPZYZBQSA-N 478.596 5.877 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)COc3ccc(Cl)c4cccnc34)c2)cc1 515578298 RMYPMXGNBMYOQB-UHFFFAOYSA-N 457.917 5.551 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 515669689 SVFJTEBUJWVSHH-UHFFFAOYSA-N 458.484 5.247 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 515690196 GHLBLJCBBSNJOX-UHFFFAOYSA-N 479.627 5.033 30 20 JKED N#C[C@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1nc2ccccc2n1C(F)F 516795352 GHMWEEBHUMAYLJ-HXUWFJFHSA-N 453.452 5.774 30 20 JKED CCOC(=O)c1c(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)sc(-c2ccccc2)c1C 517302633 BARINJAAOPWIFK-UHFFFAOYSA-N 487.585 5.003 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnn1-c1cccc(Br)c1 517305870 IFKXBNUFPVBRGX-AWEZNQCLSA-N 472.755 5.091 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Br)c2c(c1)OCO2 517461980 WYQJQTJYNXPRRR-UHFFFAOYSA-N 473.270 5.455 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1Cl 517942245 DLZWWZALYHZHDY-ILBGXUMGSA-N 475.951 5.731 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 518602542 COTBWQHGDSCCJL-OAHLLOKOSA-N 462.662 5.192 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(C(=O)CCc4ccccc4)CC3)cc2)c1 520195918 QKJYVZTVZAAGHX-UHFFFAOYSA-N 468.557 5.096 30 20 JKED C=CCOc1c(Br)cc(CNCc2cccc(NC(=O)C3CCCCC3)c2)cc1OC 520214631 OHWFDEKFLBFMMN-UHFFFAOYSA-N 487.438 5.831 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 520427303 CBYCNFCFAGCFEW-HNNXBMFYSA-N 479.533 5.916 30 20 JKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 520431557 SFIUORNUJJPNOB-AWEZNQCLSA-N 486.290 5.473 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1c(F)cccc1F 520513744 PMEJFKYXOAYHAL-AUSIDOKSSA-N 467.903 5.480 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 520836888 CKJATJKARNGUFA-UHFFFAOYSA-N 489.544 5.955 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(C)C[C@@H](C)C#N)nnc1-c1ccc(Cl)cc1Cl 520953309 WZNCUOLCTQUUHW-AWEZNQCLSA-N 474.417 5.260 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 521261551 UAVAPAWSLYANDP-FQEVSTJZSA-N 482.613 5.567 30 20 JKED Cc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)C)n(CCC#N)n1 521597508 GAAUMOOOZNCQEK-UHFFFAOYSA-N 492.436 5.057 30 20 JKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(C(=O)Nc2ccccc2Br)CC1 523829817 CQKDRORYUNPEAC-UHFFFAOYSA-N 487.760 5.517 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 523895302 GWZGMOWRKVOSTM-UHFFFAOYSA-N 458.493 5.372 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc1 589719174 PYAWGVIJTZYCCS-NRFANRHFSA-N 481.540 5.271 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)c1ccccn1 589830704 NKVUAYZAGYGSLI-MRXNPFEDSA-N 464.369 5.284 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccc(Cl)c1 589932543 DSKXRSGOOYZTMF-UHFFFAOYSA-N 458.012 5.161 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cc(Cl)ccc2OC)nnc1-c1ccc(Cl)cc1 601057847 KGROGEGTOWDIHF-UHFFFAOYSA-N 477.417 5.197 30 20 JKED CN(Cc1ccccc1Br)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 603467082 ACRSFLCJGKEFAE-UHFFFAOYSA-N 494.414 5.324 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)cn2)c1 603623117 FAUIFSNTVOWPTG-UHFFFAOYSA-N 476.945 5.616 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)c2)c1 603704902 JIWFSCWQIXSUOX-VWLOTQADSA-N 485.540 5.182 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)c1ccc(Br)cc1 603740269 ZEKDAAITGHUHRJ-UHFFFAOYSA-N 450.336 5.733 30 20 JKED COc1cc(-c2cc(/C=C\c3csnn3)c(C#N)c3nc4ccccc4n23)cc(OC)c1OC 603748280 LUJVZHXQCFTESN-HJWRWDBZSA-N 469.526 5.074 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603921175 OXSPQTZTZHDQOP-MUUNZHRXSA-N 494.595 5.135 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)cc1 604091050 ZSOWXYLEMSPKPU-UHFFFAOYSA-N 494.039 5.014 30 20 JKED COc1cc2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)[nH]c2c(OC)c1OC 613405009 SISRDKZKKINVIS-LBPRGKRZSA-N 475.448 5.312 30 20 JKED C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)C1 613406885 ADLCHNLIAFCDQU-ZRGWGRIASA-N 488.034 5.106 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2o1 614439736 GOJXPPTUZKRSFW-GOSISDBHSA-N 460.287 5.333 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 620304518 IVKDGBPNCZDKCX-LLVKDONJSA-N 492.404 5.922 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 622584937 NUCGHEXNXKFXCP-BUXKBTBVSA-N 465.413 5.282 30 20 JKED C[C@@H]1Sc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2NC1=O 642281628 NLSJCKYYMAFCDW-HZMBPMFUSA-N 474.394 6.040 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccoc1C 644450363 ABFFQYMWYSIKBQ-UHFFFAOYSA-N 452.624 6.400 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)cc1F 726411576 NDMGZQHJDRBEJB-HXUWFJFHSA-N 477.508 5.015 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3ccc(OC[C@H]4CCCO4)cc3)SC2=S)cc1Cl 726626567 IGXQWOIOKZKKOM-SVYXSEEQSA-N 456.976 5.175 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2SC[C@@H](C#N)CCC#N)cc1 726776192 ALYZPBQRKZSKSB-CTPANLQCSA-N 469.397 6.222 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 727224701 RIABOXNXGQWGAT-HHHXNRCGSA-N 479.628 5.858 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)Nc3ccccc3-c3ccccc3)o2)cc1 728108774 JFOFSGXKKKZEMC-UHFFFAOYSA-N 452.466 5.193 30 20 JKED Cc1cc(Br)ccc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1 728200619 LYFOCCPVIPIZRD-UHFFFAOYSA-N 468.326 5.398 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 728438590 ICZSKXGTBLXKQB-ZZXKWVIFSA-N 495.459 5.180 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(C(F)(F)F)c1 728777184 ZYHRVRSCGLSSKL-HXUWFJFHSA-N 499.518 5.231 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)n2)cc1 729186293 IGFFRGCTUNFPRP-AZUAARDMSA-N 468.003 5.164 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(CCc3c(C)noc3C)C2=O)cc1 730445313 XBDWWJIPYGOMAV-XMMPIXPASA-N 490.629 5.420 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1F 730502923 IXPRDZKMQSPZJI-KRWDZBQOSA-N 465.522 5.287 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1)c1nc2ccccc2s1 730684991 DXSZBDWUKAAXCO-ZHRRBRCNSA-N 481.346 6.194 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3cocn3)C2=O)cc1 730710707 QCUWJBJMHXKCFH-QHCPKHFHSA-N 470.554 5.297 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc3c(c2)CCC3)s1 730727744 UVSACTJMGHXMIJ-HRAATJIYSA-N 491.642 5.057 30 20 JKED COc1cc(/C=C2\SC(=NN=C(C)c3cccc4ccccc34)NC2=O)cc(Cl)c1O 733782801 FSNYVAWBEWWGER-BVGKEHTFSA-N 451.935 5.192 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)c1 743526152 NWYLFLZFJLZZKM-MRXNPFEDSA-N 473.879 5.310 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 745313846 YJCJKDZWXPNIIW-MAUKXSAKSA-N 454.498 5.254 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 745626326 MONNFEPBNVHBHT-ZHACJKMWSA-N 466.335 5.104 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)o2)cc1 746416722 QYHUKAXOPPEUMU-INIZCTEOSA-N 471.460 5.788 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O 747601118 DGWFSQKJDWKDOR-IBGZPJMESA-N 488.997 5.405 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)O)c2)cc(Br)c1OC(F)F 750908772 GXVHAELGLNZYGW-QDZRJHCZSA-N 485.277 5.197 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@H]2C[C@H]2c2ccccc2C(F)(F)F)C1=O)NC1CC1 750915680 IDVDQRKCIOCVTJ-YSSFQJQWSA-N 491.510 5.001 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)O[C@H]2CCCCC2=O)ccc1Cl 796529086 ACVBDFKULKIMSS-FQEVSTJZSA-N 482.385 5.043 30 20 JKED COc1cccc(NC(=O)/C(=C\c2cccc(NC(=O)C(F)(F)F)c2)C(=O)c2ccccc2)c1 810225153 VXYFMYLAKHJMGA-STZFKDTASA-N 468.431 5.101 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccccc2F)C1=O 837832118 MRXVOXCZQIHHBZ-QHCPKHFHSA-N 477.561 5.303 30 20 JKED COC1CCN(c2ccc(NC(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)cc2C(F)(F)F)CC1 857446678 HUFNXHWRGFLJFL-LJQANCHMSA-N 478.408 5.989 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c4ccc(C)cc4)cc3)o2)cc1 857835903 YZVVGNKNMXLOHR-NRFANRHFSA-N 494.551 5.513 30 20 JKED CON=Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 913102799 YZWTYSMSBBPJBA-UHFFFAOYSA-N 478.357 5.027 30 20 JKED CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915200049 UCFJCNBSPJNZNR-RPBOFIJWSA-N 458.537 5.088 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 915729187 GALUBHMAZMFJMS-SXOMAYOGSA-N 479.967 5.840 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(/Cl)c3nc(O)c4ccc(C(F)(F)F)cc4n3)c2)c1 915984414 KNOUUMBXANPESA-SRZZPIQSSA-N 481.861 6.542 30 20 JKED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(Cl)c(Cl)c1Cl 916138621 ZWJSSBKSVRDXDE-ATPLWMGHSA-N 468.189 5.061 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)cc(Br)c1O 916140347 NOYCAMZAJXOKKB-DJWKRKHSSA-N 465.193 5.262 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O 916204323 CDRJDWHDIXGBJJ-HXUWFJFHSA-N 469.950 5.102 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(C)C)C1=O 916204985 LRMXHLLJWUBTDS-IBGZPJMESA-N 463.962 5.104 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 916217264 JEEXCXXHIWRUHW-QFBILLFUSA-N 478.401 5.133 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccco2)cc(Br)c1OCc1ccccc1 916318111 BXRWRGPONLSDQA-UHFFFAOYSA-N 485.363 5.059 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cs1 916345292 YVFJDKXFGARJEF-UHFFFAOYSA-N 489.413 5.564 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916887808 RESBQPTZIQLEGG-LJQANCHMSA-N 496.495 5.483 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Br)s1 916899236 AENOGQNAIYTDBE-KRWDZBQOSA-N 485.359 5.059 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1 916903930 YBDQLUUQQCWBRH-SFHVURJKSA-N 486.018 5.675 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 916908727 DMYDMAWERQWWHB-FQEVSTJZSA-N 463.877 5.564 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CSc2cccc3cccc(Cl)c23)cc1Cl 916938543 NEFYNMLRPSGFSY-OAHLLOKOSA-N 459.354 5.595 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916943330 WQVZYORUTMOVHZ-FQEVSTJZSA-N 476.323 5.202 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 916947675 AARTWODAJAAWOW-VFNWGFHPSA-N 477.561 5.923 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 916977707 XAIXOHBHMWOEQD-SFHVURJKSA-N 470.406 6.659 30 20 JKED CCc1cccc(C)c1NC(=S)NN=Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 917544286 AXJPDCYBRAXSRJ-UHFFFAOYSA-N 455.584 5.158 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 917613763 UINTVKUNYBXZRP-UHFFFAOYSA-O 473.578 5.683 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccsc3)C2=O)cc1 917668557 BSKRGEQTQHWHEK-JOCHJYFZSA-N 477.611 5.420 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC2CCC2)C1=O 917704776 NIZLEWAGQKIARV-QFIPXVFZSA-N 497.020 5.289 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918306439 XAMWTDORWLVBME-UWJYYQICSA-N 454.555 5.110 30 20 JKED CSc1cc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)ccc1NC(C)=O 918842535 AEDYHVIAQIAWCW-UHFFFAOYSA-N 476.579 5.429 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1Cl 920110973 HUBNOYZMDVPVCQ-LBPRGKRZSA-N 466.371 5.077 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 920174684 DLGBKBQJBVZPSM-HOYKHHGWSA-N 470.598 5.292 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)C(=O)Nc4ccc([C@@H](C#N)c5ccccc5)cc4)CC3)c2c1 920199722 BFMCCLDKKXHZJK-SANMLTNESA-N 492.579 5.177 30 20 JKED Cc1cc(SCC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)cc1Br 920265499 PLRKNTJSUKBZLU-OAHLLOKOSA-N 458.406 5.553 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1OC 920751048 PMRCSBWNDJBARO-CHUYDZDDSA-N 453.542 5.066 30 20 JKED CO[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C 1299701385 RWYJYOOMOIFHHH-INIZCTEOSA-N 482.444 5.000 30 20 JKED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)C2)C1 1782112534 PLIQPNNSEYQLHE-YKGWIAGDSA-N 484.596 5.288 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)CC3CCN(C)CC3)cc2)CCC1)c1ccccc1 1785914380 FAMXCGVSFOVLGJ-HHHXNRCGSA-N 471.645 5.050 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1 1786076223 ACYZNSCSBOAQIL-ZJSXRUAMSA-N 493.648 5.174 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1786143846 WXDZZNNTIMRCGR-OYDLWJJNSA-N 493.648 5.287 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@H]3CCc4ccoc4C3)cc2)CCC1 1786214602 KBEYIJXAIJKUHY-VYENPZKTSA-N 474.582 5.019 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)cc2)CCC1)C(F)(F)F 1787036980 DQYOGSCTSYQSKC-UHFFFAOYSA-N 483.490 5.557 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC(F)(F)C4)CCC3)cc2)c(O)n1 1787172699 UFQXYNFNPYMTIT-QGZVFWFLSA-N 469.532 5.089 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789455147 LWMAPIRJTQYMSN-QHCPKHFHSA-N 481.637 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCC2)cc1 1789458353 XNYQBSYWYVDECD-LWSSLDFYSA-N 493.648 5.002 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1 1790511482 LXAFKLLZMSIZLH-UHFFFAOYSA-N 468.600 5.220 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1 1790513676 KBTBKLQTERDMAR-UHFFFAOYSA-N 492.469 5.102 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N(C)C)c4ccccc34)CCC2)cc1 1790567335 IFSQYJPYCBIMBX-FQEVSTJZSA-N 486.616 5.454 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CNc5ccccc54)CCC3)cc2)c(Cl)c1 1790767318 YMARGBOMRJMHIL-JOCHJYFZSA-N 470.960 5.169 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)cc2)CCC1 1790817215 ONEAGDHCVALXBP-UHFFFAOYSA-N 478.536 5.381 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3C)CCC2)cc1)C(F)(F)F 1791303182 LVHDLHZXZWYZNV-UHFFFAOYSA-N 482.300 5.019 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3cccc(C)c3)CCC2)cc1 1791587603 VTGQHJVASBWVTD-DEOSSOPVSA-N 491.632 5.661 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](CCNC(=O)OC(C)(C)C)c3ccccc3)CCC2)cc1 1791588961 NWAOWJVLUNBXHQ-XMMPIXPASA-N 491.632 5.395 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1 1792170099 KYOVZZARFWQUSZ-AMVVHIIESA-N 487.453 5.304 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1 1792376413 FMPBRWXMRASIEW-ZEWVGQQJSA-N 470.541 5.367 30 20 JKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(C)(C)C)cc1 1798330126 BGIKGDWLPJUNIZ-UEQSERJNSA-N 497.680 5.154 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(F)F)cc1Cl)C2 1798592184 JUHCJFGLWHIXGK-MUJYYYPQSA-N 454.945 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1Cl 1800417407 XMNFALPLYKNXOX-XMTFNYHQSA-N 454.920 5.379 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1802492952 SLFSXDCYWPRLSJ-YKSBVNFPSA-N 479.024 5.528 30 20 JKED N#Cc1cccc(CCC(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 1802954272 NMMNLQIEGAFCMN-PDDLMNHVSA-N 488.591 5.059 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)Cc2ccccc2)[C@H]1c1cccnc1 1803018242 ACJFGZAFENINEE-CLJLJLNGSA-N 459.634 5.125 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1Br 1803909096 SLSMYDHPHYBKKZ-MUJYYYPQSA-N 467.835 5.347 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4c(CC(C)C)oc5ccc(OC)cc45)CC3)C2)C1 1804778169 WDOQPAFBWZMSMF-UHFFFAOYSA-N 478.633 5.451 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)C1 1804859337 XOQMXQYVHIDGHR-AYRHNUGRSA-N 477.693 5.588 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)C1 1805456681 DGSSUGGXBNEQQR-UHFFFAOYSA-N 454.014 5.435 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2cc3cccnc3cc2F)[C@@H]1c1cccnc1 1808192933 SUQZBIGMGYIDCI-CUNXSJBXSA-N 488.607 5.010 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)/C=C/C(=O)c2cccs2)[C@H]1c1cccnc1 1808422203 NIXYOUPVZTXWBE-LPKBNIHUSA-N 495.689 5.585 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1808597722 QGLOYPKOEKHFAW-BXTSTYNKSA-N 480.612 5.232 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc3sccc3[nH]2)[C@H]1c1cccnc1)c1ccccc1 1810443725 MABDZLIISMDRJE-KHVXQDHOSA-N 496.636 5.141 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1811058212 MTRNTEVGDAIXCF-UKILVPOCSA-N 486.641 5.293 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1811103640 CXDKNTHQHJNPLE-LPHOPBHVSA-N 480.461 5.762 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1811713251 NZKPJEAUUWLPPP-AVRDEDQJSA-N 474.432 5.700 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1811929545 HLFWUCQNSFQNOB-MONFHXSQSA-N 494.639 5.411 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812223034 QPKITVOICGQUTK-ATIYNZHBSA-N 459.615 5.118 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1812674838 DISRQBGXWARULD-AUUYWEPGSA-N 486.321 5.059 30 20 JKED CC#C[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1)c1ccc(O)cc1 1812700904 RJHLAZJVEIYDPG-QEFFQVBRSA-N 489.660 5.207 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1813991068 PCOOFORRMWNOHE-ZEQKJWHPSA-N 493.623 5.322 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)[nH]n2)C1 1814397858 WZMOFXWTKSXWAC-XMMPIXPASA-N 480.572 5.225 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1814827466 QCJZLUBOTDPAKI-DEOSSOPVSA-N 475.568 5.618 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1819306858 HKHSUMDSJPAOCP-IERDGZPVSA-N 465.985 5.619 30 20 JKED Cc1cc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)[nH]c2cc1C 1819332080 GHBOEUBFTBTJTL-UUOWRZLLSA-N 495.587 5.150 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)Nc2ccccc2)[nH]n1)c1ccccc1 1819518778 DOLVFBPOTQNGLY-LJGDZFJRSA-N 483.616 5.100 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)[nH]n2)c1Cl 1820218108 NCEVRHKZIGGLPY-HSZRJFAPSA-N 498.974 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(Cl)c3)n[nH]2)c1 1820502270 FFGFOSIATLGIQA-AOMKIAJQSA-N 461.953 5.310 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1)C(F)(F)F 1821048520 JCAUYYDTMJDJLB-NRFANRHFSA-N 484.478 5.626 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccccc4Oc4ccccc4)sc3C2)C1 1821907886 HPNXULZCZPUYRG-SFHVURJKSA-N 459.571 5.127 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2Br)[nH]n1 1821926386 OTXKCBNGIKEBHK-KUHUBIRLSA-N 493.833 5.273 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 1822287515 NGWSMWDYWGAYQM-FQEVSTJZSA-N 473.404 5.244 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)[nH]n2)c1 1823216234 REKYLTWDOIWXKQ-RJTNSINYSA-N 467.573 5.146 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823217660 WFYBYVJLCFQVTC-OHUGHZGNSA-N 469.589 5.455 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(Cl)c2)n[nH]1 1823243697 BLHNHASIMRISBC-XLIONFOSSA-N 456.974 5.146 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823292401 IVXBADDERGAWQJ-JOCHJYFZSA-N 463.582 5.121 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1823420254 MQJGYHCBEZYVQI-LJQANCHMSA-N 450.926 5.042 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(=O)OC(C)(C)C)CC1 1823750956 GKEBCFLRVPLYCP-QFIPXVFZSA-N 462.675 5.111 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSC3CCCC3)CC2)cc1C#N 1824479983 NAAZUZDHJJSUQB-RUZDIDTESA-N 497.705 5.255 30 20 JKED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824490331 BRSOVZFBLBMARO-GVJADEFVSA-N 499.095 5.272 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@H](S)C(C)C)CC3)c[nH]2)cc1 1825422492 JFDVAJHDVYQVDU-JWQCQUIFSA-N 467.679 5.178 30 20 JKED COc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)c[nH]2)c1 1825434300 AQSVFNYEJGMCJP-MUUNZHRXSA-N 496.611 5.109 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)c1 1826399880 FVPOXOJTVOGHMK-YUDQIZAISA-N 493.651 5.943 30 20 JKED Cc1ccccc1OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1826556767 KASZDJCKMCNRKI-VWLOTQADSA-N 482.741 5.045 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1)C(F)(F)F 1827266624 OENQDQDHJRHKAV-KRWDZBQOSA-N 485.959 5.302 30 20 JKED Cn1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc2ccccc21 1827994681 HQGMZZLPDCUHQK-SANMLTNESA-N 491.752 5.463 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1829181187 CENCWQLGXJSQPC-NRFANRHFSA-N 485.415 5.116 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)CC1 1829674496 NFXTVWUSGVOMIA-DEOSSOPVSA-N 489.582 5.900 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1cccs1 1829692253 HJWGIEKEQXXWKX-DYESRHJHSA-N 470.038 5.310 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)CC2)c1Cl 1829781244 GUQXZHIIAUIMTR-OAQYLSRUSA-N 473.404 5.049 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830111459 LZUSDFCAQZEGLU-XMMPIXPASA-N 480.008 5.157 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C1 1830491972 HVWNHFXNYWIHFX-MHZLTWQESA-N 458.602 5.678 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCCC3)CC2)cc(C(F)(F)F)c1 1830754814 KKFJGPNOIKZJCG-DEOSSOPVSA-N 489.582 5.781 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccco3)CC2)cc(C(F)(F)F)c1 1830755082 OGHQEJPHBRDCIZ-QHCPKHFHSA-N 487.522 5.036 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3)CC2)cc(C(F)(F)F)c1 1830755389 DLKVIRVEMNUKQB-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831233746 CWWNXQYZJZXFLL-CVDCTZTESA-N 496.639 5.434 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831297838 SJEJSLRNZFJZIU-FQEVSTJZSA-N 472.498 5.079 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1831371507 VYTMUWVYUVPZGB-FDDCHVKYSA-N 454.014 5.334 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c1Cl 1832389789 IFXGLETUCLQZQQ-OZGZLMSGSA-N 468.041 5.415 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1832629648 UWGWMGSLCOATLR-AJTFRIOCSA-N 487.644 5.107 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CC1 1838520317 YQDXTZBEGXJHCB-UHFFFAOYSA-N 497.639 5.022 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 9823346 UZSHSNLBRHIWJQ-UHFFFAOYSA-N 486.409 5.905 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173213 YEUCYDIZKKSACK-UHFFFAOYSA-O 468.646 5.880 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174063 VACODWPYTHKDHD-UHFFFAOYSA-O 463.476 5.625 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174165 YBRZKBOVEJQCBV-UHFFFAOYSA-O 473.540 6.103 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(Cc2ccccc2)cc1 10174264 GXHLSQQSXKUBLR-UHFFFAOYSA-O 451.615 6.178 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 10831825 HTJHUVXQJGDFEB-UHFFFAOYSA-O 458.006 6.269 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1c(C)cccc1C 11153260 RARXRCBDLWDIAY-UHFFFAOYSA-O 458.434 6.511 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15247892 AKVGUBZISAYGDF-UHFFFAOYSA-O 495.249 6.403 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C)c1 16029346 VPQMPJNCNIHIEO-UHFFFAOYSA-N 470.978 5.291 30 20 JKED C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16722104 DIJVVCUPQGGRIC-AWEZNQCLSA-N 495.395 5.627 30 20 JKED COc1cc(/C=C(\Cl)c2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)ccc1OCC#N 18064802 LAPXJYGWCBADRQ-YVLHZVERSA-N 484.364 5.953 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 21439547 JZUCRJLCEXAGAU-UHFFFAOYSA-N 465.720 6.110 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)nnc1-c1ccoc1C 22187243 VWJFMTRZSYFJJA-UHFFFAOYSA-N 490.564 5.182 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 22735099 NKGZUVJAOUXSRS-UHFFFAOYSA-O 451.615 5.336 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C(C)C 23585882 MHPPIDZKIUBVRI-OAHLLOKOSA-N 462.040 5.388 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1ccc2c(c1)CCCC2 24566694 ASZMXRBAFUNRHG-UHFFFAOYSA-O 457.619 5.750 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc(Cl)cc1 26371189 DLQBFBHWRBFPDW-UHFFFAOYSA-N 457.943 5.122 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(C)c(F)c2)c1 28811059 BVDCBUPDJGJWOR-UHFFFAOYSA-O 458.376 5.543 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 115176944 RNIYBXONMCPDEM-UHFFFAOYSA-N 450.523 5.486 30 20 JKED N#Cc1ccc(CSCC(=O)N(Cc2ccccn2)c2ccc(Br)cc2)cc1 302974436 OUPHPIHFQGCQJR-UHFFFAOYSA-N 452.377 5.182 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](c3ccc(Br)cc3)C3CCC3)CC2)c1 409529528 UCMLCQSPUPOVES-QHCPKHFHSA-N 495.421 5.222 30 20 JKED C=CCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)c1nc(C(=O)OCC)cs1 409820857 LEXVLJJKOGULCQ-UHFFFAOYSA-N 469.611 5.084 30 20 JKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 476482382 DOQHYYLOCYDIAS-XMMPIXPASA-N 455.558 5.579 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)c2)cc1 482781420 MDIAXJJEOJPKJA-UHFFFAOYSA-N 460.537 5.238 30 20 JKED CC(C)NC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 487386045 HDGQEYHXUJRCOD-UHFFFAOYSA-N 487.507 5.407 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)C2)c1 488022842 IJNQETNKHMPRPR-VWLOTQADSA-N 484.575 5.479 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)c2)c1 491975389 DVSDCXSWMNKICG-FGZHOGPDSA-N 460.331 5.315 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 493617162 ARNDYWSONIEODR-UHFFFAOYSA-N 463.803 5.296 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 501625056 GETWVGZWSAACAT-INIZCTEOSA-N 486.557 5.295 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(C)[C@H](C)CC#N)nnc1-c1ccc(Cl)cc1Cl 505155824 ZONVVKKJKFMLFB-OAHLLOKOSA-N 474.417 5.402 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 508291744 HYHAPUBXBOSDSY-NRFANRHFSA-N 462.575 5.379 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2nccn2C)cc1 510520408 KPUAGUHZYJPVHY-XMMPIXPASA-N 453.502 5.004 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(Cc1ccco1)c1ccccc1C#N 515636834 NCOPPLSJACALLG-UHFFFAOYSA-N 475.957 6.274 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)n1 516790510 QKMGNRLUCSPLCR-MRXNPFEDSA-N 491.421 6.409 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1c(Br)cccc1Br 517449412 RRSZOCBJPRDMSN-LBPRGKRZSA-N 484.213 5.623 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2nc(C(F)(F)F)ccc12 517800902 NZZUZCLENOTMEL-HNNXBMFYSA-N 468.485 6.109 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F 517985370 SMTUUFKQCGPPIT-UHFFFAOYSA-N 469.511 5.501 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1Cl 520589076 LTOYUMHKEAMRFU-AZGAKELHSA-N 487.003 5.351 30 20 JKED C=CCN(C(=O)CC(C)(C)c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 520688805 LKKNNJGCMIOANZ-UHFFFAOYSA-N 454.617 5.101 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 520939292 PZDLZNJILGQDQP-DLBZAZTESA-N 473.440 5.491 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2c(C)c(C)sc2n1 603765105 TWSFBVCAAMZAQA-UHFFFAOYSA-N 461.572 5.406 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 604021182 OUDMFZVCQOGXOW-UHFFFAOYSA-N 496.514 5.250 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nn1-c1ccccc1 604027217 OHMONXXPPXQFDO-UHFFFAOYSA-N 456.889 5.111 30 20 JKED CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)C2 604090627 ZXMJATZGMGSNEU-UHFFFAOYSA-N 460.921 5.553 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3oc4ccccc4c3CSc3ncccn3)n2)cc1 604528113 XSMZBTKBHMWWTH-UHFFFAOYSA-N 469.551 5.763 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 608812962 RPENUMDEGONKCX-UHFFFAOYSA-N 497.517 5.486 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc(OC)c1OC 609006962 YZZIKOCZOWSOQT-JOCHJYFZSA-N 472.497 5.032 30 20 JKED COc1ccc([C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccc(F)cc2)cc1 609058651 JBWGHLUFSWOBSK-AREMUKBSSA-N 456.473 5.397 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCC(Oc3cccc(C#N)c3)CC2)cs1 609195484 FBDYGHQVUWYCAJ-UHFFFAOYSA-N 460.603 5.360 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 609369943 TWBAOSZJGBYYMI-HNNXBMFYSA-N 467.595 5.544 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(Cc2ccccc2)n1 609388686 CIHUANLUCJXHRD-KRWDZBQOSA-N 453.658 5.858 30 20 JKED Cc1nc(SCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c2c(C)c(C)sc2n1 609417012 ADOYEXGNKJRQAG-CQSZACIVSA-N 451.404 5.397 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 609436392 KCPFUYRUPZDDLK-KRWDZBQOSA-N 476.568 5.886 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 613893979 OQVQAXIQPDMYDO-FQEVSTJZSA-N 474.413 5.345 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1F 613906593 PPTMSPAOCPZPHR-CQSZACIVSA-N 480.487 5.138 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cn2)c1 617927548 BNMINIUXDDFSHX-UHFFFAOYSA-N 460.921 5.526 30 20 JKED O=C(NCc1ccc(Oc2cccc(F)c2)nc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623654401 AWEZWXRHWWISIK-ZIAGYGMSSA-N 479.396 5.722 30 20 JKED CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 726074151 MMEMVEMVRFDVKB-SANMLTNESA-N 484.600 5.731 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC[C@@H](C)OC)c1 726402064 VTNAUXGISXSSDZ-KOSHJBKYSA-N 491.613 5.234 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1 726416626 XZMYXYIPYPHOAL-JOCHJYFZSA-N 497.617 5.835 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cs1 726427187 RZGSOFSZFYBBCZ-UHFFFAOYSA-N 463.872 5.818 30 20 JKED C#Cc1cccc(NC(=S)N(Cc2ccccc2OCC=C)c2ccc3c(c2)OCCO3)c1 726445956 SBPDDKXUOLJGJP-UHFFFAOYSA-N 456.567 5.408 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc2c(c1)CCCC2 726571512 WNHZNNGUMISREI-UHFFFAOYSA-O 475.037 6.264 30 20 JKED Cc1ccccc1-c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1 727626944 JIFNPZKHZRLMGI-HXUWFJFHSA-N 453.523 5.872 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)cs1 727685745 YVDZNXNMLOAIQU-FOWTUZBSSA-N 493.560 6.442 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C#N 728424525 CTUDOFFDZITFET-HOYKHHGWSA-N 497.580 5.005 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCCCC#N)C2=O)c1 728776852 BSHLCTBJOQBRMH-JOHAUJDZSA-N 468.648 5.449 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)c1 728776898 GFSFJDOMNKCRCP-OAQYLSRUSA-N 469.010 5.611 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728780371 RWGAWEYCMXGGDK-OAQYLSRUSA-N 497.552 5.005 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c1C 730443633 FXACUTZJZZTYNV-QHCPKHFHSA-N 494.592 5.250 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1F 730685780 IGRFCAHAJMGMJE-OAHLLOKOSA-N 479.480 5.449 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)cc12 731061485 CGRSXGIBWUJPHQ-INIZCTEOSA-N 490.610 5.443 30 20 JKED N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 731287735 JKWIHWAYYGWLHS-NRFANRHFSA-N 465.347 5.499 30 20 JKED N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 731288512 SQPACOOYXJQNDY-MRXNPFEDSA-N 462.294 5.619 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1C 731310704 NUFQQPGHEYZPAG-OAQYLSRUSA-N 465.600 5.231 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(Cl)c2Cl)cc1 731339463 ZAHLHOGPAJQHSF-QGZVFWFLSA-N 461.326 5.148 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(C3CC3)C2=O)cc1 745990273 ALEPJGOQZAIKBG-LJQANCHMSA-N 476.385 5.319 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSCc1ccc(Br)cc1F 748003986 PFEOBQXJLAQPGT-SFHVURJKSA-N 477.399 5.294 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccc(C)cc2)n1 748036128 KWJSSHWXFWCDST-QHCPKHFHSA-N 488.613 5.176 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 750685660 AUFYZBRDRHDVAQ-OFNKIYASSA-N 492.620 5.489 30 20 JKED CCOc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCC(F)(F)F 750922580 RZZAECHWYVCEGB-UHFFFAOYSA-N 487.503 5.655 30 20 JKED Cc1oc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(O)cc2)CC3)c(C#N)c1C 812525645 IPVYZXBNCXGYLB-UYRXBGFRSA-N 493.519 5.304 30 20 JKED CC(C)(C)OC(=O)N[C@H](C=Nn1cnnc1SCc1ccc(Cl)cc1)CC1CCC1 814769477 QLNDJWAVWQFVTM-SFHVURJKSA-N 450.008 5.141 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccc3C)C2=O)c(OC)c1 837542190 XIBRQCXNRVYBCD-XMMPIXPASA-N 489.597 5.173 30 20 JKED CC(C)N(C)Cc1cc(O[C@@H]2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)C2)ccn1 856605554 XSJZBGGNTMHTIH-GDLZYMKVSA-N 468.645 5.275 30 20 JKED C=CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 896588178 NPXAFWDXLUOBCM-UHFFFAOYSA-N 479.518 5.060 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccccc2OCc2ccncc2)cc1 914695079 DHJLLJCIRRBHHX-UHFFFAOYSA-N 459.575 5.125 30 20 JKED CN(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2sccc2C#N)cc1 914712479 VZCRIBUHTFIQRW-SDXDJHTJSA-N 450.567 5.973 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccccc2)cc1 914772806 OYXFYMBAEXNTLF-XMMPIXPASA-N 489.597 5.002 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 915087454 UMKAPHQOFNMMFI-HXUWFJFHSA-N 459.958 5.579 30 20 JKED COc1ccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2C2CCCCC2)cc1OC 915796080 VDWMVFAORKTKFI-UHFFFAOYSA-N 492.649 5.372 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 916209229 HJCJCQIRFGHKOL-HXUWFJFHSA-N 485.396 5.549 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)cc1C 916215795 KIRNRDWAUIVHQU-LJQANCHMSA-N 472.408 5.189 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 916217395 MFZPMSUPIZSXRC-DEOSSOPVSA-N 484.556 5.534 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1-c1ccc(Cl)cc1 916908438 MLHAXGWOXJGRDA-OAQYLSRUSA-N 470.916 5.588 30 20 JKED N#C[C@H](C(=O)COc1ccc(Br)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916927944 QIEGLRJRZNQSKU-LLVKDONJSA-N 476.541 5.136 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 916932202 SALZMZLDUQKREH-MRXNPFEDSA-N 484.387 5.640 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1OC 916933764 STQVVXYGPPFAPP-AWEZNQCLSA-N 463.540 5.003 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997566 WQNHLPWRTTVCIF-MRXNPFEDSA-N 487.364 5.727 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 917029592 HETPAHLOOMUUCU-UHFFFAOYSA-N 477.977 5.420 30 20 JKED CCc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)cc1 917042410 FDTOBJPXMFBDTC-RHSMWYFYSA-N 457.477 5.107 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cs1 917561552 HCDRXXDTKRHLOW-IZZDOVSWSA-N 467.978 5.214 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)cs1 917564190 ZBVPYARMDSAPIA-UKTHLTGXSA-N 498.938 7.132 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N([C@H]2CCN3CCC[C@H]3C2)C1=O)Nc1ccccc1 917653898 YBKPURQNNKIWDD-FXSPECFOSA-N 498.652 5.427 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)cc1 917678269 QTAYQCWNEQPHCU-NRFANRHFSA-N 481.574 5.250 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c2Cl)cc1 917774641 QHFVLJGZYGVDKN-UHFFFAOYSA-N 473.001 6.153 30 20 JKED Fc1ccc(CSc2nn(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(=S)s2)cc1 918732149 HRSDIXZHYFNWKI-RYUDHWBXSA-N 491.523 6.126 30 20 JKED CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 919557521 CKRNIXJGWSPHRW-UHFFFAOYSA-N 468.724 5.053 30 20 JKED CCCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@H](C)c1cc2ccccc2o1 919776141 PRJPIBIMYJUVJB-XQJGLGPESA-N 482.606 5.251 30 20 JKED C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)c1 919873406 RVLINHJGAMTPQU-UHFFFAOYSA-N 460.914 5.097 30 20 JKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3csc(COc4ccc(OC)cc4)n3)c(=O)oc2c1 920064446 SRASPHGFPRGNNS-QPEQYQDCSA-N 490.581 5.579 30 20 JKED O=C(Nc1ccc(NCc2c(F)c(F)c(F)c(F)c2F)c(C(F)(F)F)c1)[C@H]1CCCO1 920402702 WRDPRXSLPGILSH-GFCCVEGCSA-N 454.317 5.131 30 20 JKED CN(C(=O)COC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12)C(C)(C)C#N 920705292 HRJTUTIRXCDZHV-FPLPWBNLSA-N 498.402 5.147 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc(SC(F)(F)F)cc3)s2)cc1 920836170 VUKYQRUHDVRPEU-UHFFFAOYSA-N 455.508 5.018 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 920867460 RXVYDWLTTUJFCQ-UZUQRXQVSA-N 479.577 5.222 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1C 920894600 RWNRGOGINORJDL-SFHVURJKSA-N 464.953 5.226 30 20 JKED CC(=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1cnn(-c2ccc(F)cc2)c1C 920985137 LZMQVAQEEQLUPA-UHFFFAOYSA-N 457.534 5.339 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCOCC(F)(F)F)C2=O)cc1 932780440 GIPAVICMDFQIPY-GOSISDBHSA-N 499.942 5.188 30 20 JKED Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(O)n1 1533144328 SFUXTLXIYSOPEZ-UHFFFAOYSA-N 456.424 5.053 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C(F)(F)F)CCC2)cc1 1786364191 KAICJDKPPUZVTO-UHFFFAOYSA-N 464.484 5.337 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3Cl)cc2)CCC1 1787130379 VYNKQSVHOMWJQP-UHFFFAOYSA-N 455.002 5.233 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4c(ccc5ncccc54)s3)[C@H]2C1 1789154472 XGLAWVLSYHRZNI-HARLFGEKSA-N 491.657 5.035 30 20 JKED Cc1nc(-c2ccccn2)sc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790287715 OZLYHJLUZPQHFS-UHFFFAOYSA-N 493.592 5.447 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4csc5c4CCCO5)CCC3)cc2)ccc1F 1790520889 PLPIMYGHVXWFOI-UHFFFAOYSA-N 489.572 5.074 30 20 JKED O=C(CCc1ncc[nH]1)NC1(c2ccc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)cc2)CCC1 1790692294 XBJSQYNAJDWAHM-UHFFFAOYSA-N 488.591 5.190 30 20 JKED CC(=O)Nc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)ccc1C 1790745911 CHLMDBYETDOEGN-UHFFFAOYSA-N 494.595 5.206 30 20 JKED CCN(CC)[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)ON=C(C)C)CCC2)cc1)c1ccccc1 1791126041 NGQXNHLRTXZUHF-BWKNWUBXSA-N 478.637 5.005 30 20 JKED CC(C)c1ccc(CC(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc1 1791394546 INJLEBWVLCQPMU-RDRPBHBLSA-N 457.574 5.199 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc4ncccc4[nH]3)CCC2)cc1)c1ccc(O)cc1 1791646064 BFSXQHLPDOQJDA-OAQYLSRUSA-N 492.579 5.213 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)CC)CCC2)cc1)NC(=O)OC(C)(C)C 1792204308 XALODHQECKASGC-UGKGYDQZSA-N 471.642 5.416 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC 1795535292 AHWLEBZOTYNLKI-LRSLUSHPSA-N 465.679 5.069 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(F)c1 1796498560 WYOHGYRZXICHHA-BKFWDETESA-N 491.683 5.191 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c[nH]c3cc(Cl)ccc23)cc1C#N 1797444546 KOMSIPRRWHLVIU-WKCHPHFGSA-N 490.991 5.046 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cncc3s1)C2)c1ccccc1 1798553085 HGNOWDJJTPRWNW-WOZUAGRISA-N 492.044 5.399 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(F)c(Cl)c2)C3)c1Cl 1799305465 YOAAGGJQLDBCJK-QDMKHBRRSA-N 480.754 5.223 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)Cc3cccc(CCCCC)c3)[C@@H]2c2cccnc2)C1 1802415283 FLSKPNWIOABDLZ-LEAFIULHSA-N 459.634 5.029 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H]1c1cccnc1 1802491014 FLGBLUCYRXPPQN-CGBRIMPHSA-N 463.597 5.023 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)[C@H]3CCCCC3(F)F)C2)CC1)c1ccccc1 1806204667 NKZNHOKIUYBNHN-DNQXCXABSA-N 470.604 5.240 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(OC)ccc3o2)[C@H]1c1cccnc1 1809718943 IJRAZQIDINDHSG-NBGIEHNGSA-N 475.589 5.148 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810173140 FSGSYAYBHPQEIJ-TXTKFYIRSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ncsc23)[C@H]1c1cccnc1 1810499416 YARDMAVDRPWSTF-KNQAVFIVSA-N 462.619 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810503265 PDLKZNHPNMQEAI-BKMJKUGQSA-N 493.623 5.322 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)[C@H]2c2cccnc2)cc1 1811889370 OUVWPKOMOQDPOT-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1813226956 WPXMHNWBCSHTFJ-YZNIXAGQSA-N 479.624 5.570 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2)[C@@H]1c1cccnc1 1813935883 IZSUQOVVSMRFRA-AHWVRZQESA-N 475.633 5.182 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)[nH]n1 1814439836 FTOMGDMMHDBTMV-QGZVFWFLSA-N 464.397 5.410 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1814743352 KYYOEVAAKWXEQD-HXUWFJFHSA-N 489.988 5.030 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815242796 DOKFLKFFVHQSQK-GCJKJVERSA-N 487.025 5.583 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(C)cc23)n[nH]1 1815792685 CWGYIZSBIXAGFE-QHCPKHFHSA-N 461.610 5.427 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cnccc2C(F)(F)F)n[nH]1 1815793861 PGOPIZYBDCKVNQ-RXVVDRJESA-N 489.542 5.217 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1)C(F)(F)F 1817742751 YFDOEOIKQSBSNN-HXUWFJFHSA-N 483.494 5.205 30 20 JKED Cn1ccc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)c21 1818725089 CQUSKOKEBUEHQQ-OAQYLSRUSA-N 486.963 5.046 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)n[nH]2)cc1 1818927212 PETSZAIWFONEEO-VWBWNGLSSA-N 473.621 5.123 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819029339 WJCJPMWWFVSESA-DOTOQJQBSA-N 454.621 5.760 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1819309676 FTUCPZDELYWCMG-JCTONOIOSA-N 484.044 5.127 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)[nH]n1)c1ccccc1 1819521496 VDUIRDALWFKEHU-LDSODUJTSA-N 487.629 5.077 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821026732 IBIQCQGUNBAVRR-JXFKEZNVSA-N 458.990 5.368 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1 1821180190 ZQWJMILYWCYZRP-DEOSSOPVSA-N 455.562 5.219 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1)c1ccc(Cl)cc1 1821270967 MIFAEULBJAIWEP-OYHNWAKOSA-N 479.943 5.183 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c(Cl)c1 1821278212 PIGSCMQKXUQLBM-QGZVFWFLSA-N 496.017 5.831 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)cc2s1 1821443013 CYRZNZYARYTNHJ-OYHNWAKOSA-N 486.601 5.508 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(-c4nccs4)noc3c2)[nH]n1 1821920484 IJGDNTDQLPFNCS-DNVCBOLYSA-N 490.589 5.193 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2cccnc2)n[nH]1)c1ccccc1 1822760807 YHOXPVRRFHNMLC-MUEFHYHUSA-N 481.600 5.098 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1)c1ccc(O)cc1 1822979826 COZBQSCBOPNLSA-VSPOGIRPSA-N 474.605 5.051 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)COC2CCCCC2)CC1 1824017530 IJIZODRAEJKVQM-RUZDIDTESA-N 474.762 5.007 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1824538931 JFXQWPCRMZIMCR-GMAHTHKFSA-N 490.069 5.183 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cncc(C)c2)CC1)c1ccccc1 1825196448 WWYHKFHBDAJSDU-FQLXRVMXSA-N 485.672 5.140 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)n1 1825385190 FQLDVMCAWUEPMO-NTKDMRAZSA-N 478.662 5.441 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1827760585 OJGDJOLTZVLIAF-GDLZYMKVSA-N 492.623 5.096 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cscc2OC)CC1)c1ccccc1 1827912371 UZDCDYRXNAOYQK-UKILVPOCSA-N 478.658 5.187 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(OC)c2)CC1 1828829585 JNOCUHHUONZBAH-ZEQRLZLVSA-N 459.030 5.350 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CS[C@H]2CCCCO2)CC1)c1ccccc1 1829031566 BEBZRFYTBIZBJG-REUBFRLUSA-N 496.717 5.063 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccccc2F)CC1)c1ccccc1 1829035051 KBBLZUDLMILUPG-BDYUSTAISA-N 490.619 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1829066358 CWWBXQZYAPMFBM-NRFANRHFSA-N 453.652 5.522 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3c(O)cccc23)CC1 1829068644 JEKFTYIEOZTWJR-HSZRJFAPSA-N 463.622 5.166 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829411258 VLSORUGUMRTDFV-HXUWFJFHSA-N 483.962 5.181 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829565417 VDZYZCIXSDDSMO-RUZDIDTESA-N 468.601 5.143 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1829694499 BHZNCVDZQRUFFV-MHZLTWQESA-N 483.656 5.851 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1Cl 1829899600 QANXDZFHDLBGNQ-OAQYLSRUSA-N 488.390 5.551 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)Cc4ccc(F)c(C#N)c4)CC3)cc2s1 1830361467 RPLSGNRSBGAREO-XMMPIXPASA-N 492.620 5.025 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830449236 JBDVKDBXRAWXOI-WDNCENIBSA-N 486.628 5.436 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)CC1)c1cccs1 1830485768 TZAMYWWFOBUHNA-SHBDEGQCSA-N 489.012 5.213 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(Br)cc3Cl)CC2)C1 1830532209 PFWWTCLYAYMSHD-OAQYLSRUSA-N 497.836 5.441 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830722224 FRYKHOJUDPIZOL-DEOSSOPVSA-N 496.055 5.099 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)c(Cl)c1 1830722400 HGYHEAAMXLTECS-LJTKGQTQSA-N 454.014 5.191 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c(C)n1 1830724156 UHTVJFIKIWDDGN-SANMLTNESA-N 493.051 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755158 AIMOVQQANUXQLM-RPWUZVMVSA-N 487.566 5.579 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccn3c(C)cc(C)nc23)CC1 1831048396 IJSCNJVUUDIPDK-DEOSSOPVSA-N 464.654 5.177 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(Cl)cc3Cl)CC2)C1 1831306678 HWFJYAFABCBMHP-HSZRJFAPSA-N 463.449 5.512 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1)C(F)(F)F 1831452781 BVOWBFHXVFKRSN-SFHVURJKSA-N 480.424 5.196 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3ccc(C#N)cc23)CC1 1831577835 RCZDJSFXWDDUJZ-RUZDIDTESA-N 491.680 5.664 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)cc3)CC2)c1 1831691493 ZRIZAQJXZRGPDE-ZBLYBZFDSA-N 475.608 5.319 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1832030323 LQFPLFOFBVNWRP-RUZDIDTESA-N 466.025 5.315 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1833289501 UWCGYAGNABQAFR-NEKDWFFYSA-N 479.709 5.156 30 20 JKED C=CCSCC(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1841884928 LPYHSYBWPTXUEH-UHFFFAOYSA-N 472.610 5.368 30 20 JKED C[C@H](C#N)SC1=N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)F)cc1 9031587 NBTRKMLRWDUBGH-XZDJTBRNSA-N 468.312 5.984 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCCC[C@H]2CC)nnc1-c1ccc(Br)cc1 10610228 QAQLKMHHOAMALG-MAUKXSAKSA-N 463.445 5.165 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(CO)c1)c1ccc(Br)cc1 10754438 MFYQUZRULCWKEC-UHFFFAOYSA-O 494.793 5.072 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10759587 WMRYBCOHDPFAQV-UHFFFAOYSA-O 456.006 6.423 30 20 JKED COc1ccccc1-c1nnc(SCCOc2ccc(C#N)cc2)n1CCc1ccccc1 11068998 HRLDXANQIYMSSQ-UHFFFAOYSA-N 456.571 5.239 30 20 JKED C[C@](C#N)(NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)C1CC1 11149245 VXKCRMBGAZPJJZ-JOCHJYFZSA-N 472.401 5.142 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 14872552 HWUKFAOFXGDFNN-UHFFFAOYSA-O 487.567 6.493 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccoc1C 16726743 IDBRWQKHGPXNSK-AWEZNQCLSA-N 461.385 5.223 30 20 JKED Cc1ccc(NC(=O)[C@@H](OC(=O)c2c(C)oc(-n3cccc3)c2C#N)c2ccccc2)c([N+](=O)[O-])c1 17187135 SFCRGPXHCKLNMV-QHCPKHFHSA-N 484.468 5.004 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 18890512 YGDOHXFIQQEZNQ-UHFFFAOYSA-N 473.447 5.058 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccc(C)s4)csc3[nH]2)nnc1-c1ccccc1 20066173 BWSQXRAKLBGSLK-UHFFFAOYSA-N 477.640 5.758 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 20068095 DKIWRXXBJIVVCL-UHFFFAOYSA-N 454.621 6.052 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 21176190 SINYMPXHRBZTQP-OAHLLOKOSA-N 496.683 5.115 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(-c3ccccc3Cl)o2)nc1C 22890532 ZDRWROJICPPLSO-UHFFFAOYSA-N 457.968 5.350 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccc(C(C)(C)C)cc2)cc1C 28778690 VKMLOXFGGLMUHA-UHFFFAOYSA-O 496.494 6.702 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)cc1 29205322 PITZVKZYNDGBSP-UHFFFAOYSA-N 483.391 5.555 30 20 JKED O=c1ccc(/C(O)=N/c2nc(-c3c(F)cccc3F)cs2)cn1Cc1ccccc1Cl 31809582 PHVXXZQYSBLUHQ-UHFFFAOYSA-N 457.889 5.588 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@@H]1COc2ccccc2O1 32557095 XFXBUCMLEZMQFW-DJJJIMSYSA-N 491.400 5.403 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 36774020 JSYWJGSFRZXFKG-ZDUSSCGKSA-N 468.069 5.153 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1 108733134 IKIGDWZRZKFPQY-UHFFFAOYSA-N 463.912 5.393 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cs1)c1ccc(F)cc1F 208895225 ZPNHDUVBOKINLL-UITAMQMPSA-N 450.413 5.603 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1cccs1 251530999 KENUBIVEZUWHAD-WBTNSWJXSA-N 469.661 5.668 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)nc(O)c2c1C 303382356 MVUVFHKKKTWDTM-SMDDNHRTSA-N 481.430 5.323 30 20 JKED CC1CCN(C(=O)c2ccccc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 499437508 FBKGVVLNGAGJHC-UHFFFAOYSA-N 453.542 5.262 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501448036 KBFBAISUZRYDRD-UHFFFAOYSA-N 475.907 6.340 30 20 JKED C=CCn1c(SCC(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)nnc1-c1ccc(Cl)cc1 501627630 MLOHIAJPQXQUHU-UHFFFAOYSA-N 497.064 5.563 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1)c1ccccc1 502057010 WPVDWOPRLCZHLW-SANMLTNESA-N 497.664 5.765 30 20 JKED CCC[C@@H](CNC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21)c1ccc(Cl)cc1Cl 502843531 UBZONNLTUNQYAR-AWEZNQCLSA-N 476.791 5.533 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 506213019 VRAUPORITHJKCV-SANMLTNESA-N 450.542 5.484 30 20 JKED N#C[C@@H](C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)c1nc2ccccc2[nH]1 507029468 VEMOVPYKHZFVFQ-IBGZPJMESA-N 484.581 5.173 30 20 JKED CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)c1cc2ccccc2o1 507948677 JXILTKRXPSDKFV-KRWDZBQOSA-N 458.518 5.379 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1C 512957148 LPDQMCDOPIAEEJ-QGZVFWFLSA-N 456.999 5.433 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 513659905 HZLXOUBRBFWCTI-LJQANCHMSA-N 474.586 5.285 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccccc1F 514703320 WDCHDUHYCORMSW-HSZRJFAPSA-N 458.562 5.420 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCCOc3ccccc3)n2)cc1 517800970 TXLVSBCTPUEBBP-HSZRJFAPSA-N 470.550 5.767 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 517800978 UHMXBJLRMGULRB-HNNXBMFYSA-N 477.343 5.424 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 518264691 QLXGTWLCQLTQAY-LJQANCHMSA-N 457.599 5.765 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 519442523 OMWHBUMECBSARX-QGZVFWFLSA-N 463.990 5.514 30 20 JKED N#C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cccc(Cl)c1Cl 519485208 KHXKWOCSUGXZTJ-CQSZACIVSA-N 464.403 5.121 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1 520502459 AGUATLACOFTXPN-UHFFFAOYSA-N 473.989 5.426 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(COCc4ccco4)c3)cc2)c1 520941714 XVDAVJZGTDKGMD-UHFFFAOYSA-N 453.498 5.982 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 521257174 CSTSATRFBCUNQA-OAHLLOKOSA-N 493.511 5.219 30 20 JKED CCOc1cc(CN(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OC(F)F 524381651 NEHXCIJORPWKGV-UHFFFAOYSA-N 456.445 5.003 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)no1 524387699 RBLXTCJFCIVBCC-UHFFFAOYSA-N 474.904 5.313 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)cc2)c1 524412609 QOBZCEKLZACMNZ-JOCHJYFZSA-N 463.946 5.232 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 524421695 GSNCRQLVLOLOKQ-INIZCTEOSA-N 482.367 5.510 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 561134068 DHIOLGCWFHVDRZ-LJQANCHMSA-N 497.649 6.331 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 563680417 SNAFPVFJUMZNOS-SANMLTNESA-N 471.557 5.832 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 597725879 CIANVGLABCLXGU-CQSZACIVSA-N 481.931 5.446 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cn2)C[C@@H](C)O1 604090344 VRKZBHDXQRXVIK-HDICACEKSA-N 491.979 5.334 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 604443797 NSEHGMGOVQAQMY-HNNXBMFYSA-N 451.866 5.627 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C 604450537 MGHRMMBCAQEPKT-OAQYLSRUSA-N 453.546 5.242 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)c1 609073387 FLWBQMWAZKDAHX-UHFFFAOYSA-N 483.549 5.190 30 20 JKED CCN1C[C@H](CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)Oc2ccccc21 609078528 WQJQSIJCNOOXJN-DEOSSOPVSA-N 470.573 5.197 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C 609089295 UDDCHAKRFXRNCO-UHFFFAOYSA-N 473.960 5.252 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)cc1 609105111 SZQCGWRRDFAQLA-UHFFFAOYSA-N 486.503 5.296 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3(c4ccc(Br)cc4)CCOCC3)c2)cc1 609176564 QURIBSWFJFGALA-UHFFFAOYSA-N 477.358 5.800 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccc2ccccc2n1 613292219 CPZGYWBEUYCLIU-OAQYLSRUSA-N 460.320 6.284 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccncc1 613364554 LBQHQJCNPHSZPG-GOSISDBHSA-N 457.559 5.438 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 613401935 SONHNHBLNGZZFF-HXUWFJFHSA-N 483.478 5.783 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1OC 613932453 NIGKCHIQIXGDSW-INIZCTEOSA-N 456.999 5.105 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)nnc1-c1ccccc1OC 613933393 TWWGFPJUPFMTCM-HXUWFJFHSA-N 456.637 5.197 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c(C)c2c1 614920526 VREOBDDEEHZATN-UHFFFAOYSA-N 454.551 6.214 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 616261782 HZYAPEUJMNEIKN-KRWDZBQOSA-N 490.400 5.769 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726319473 IRIGXJSIQBLVPX-NGICGMGXSA-N 491.604 5.294 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCOCC(F)(F)F)C2=O)cc1 726422721 YKZLIJOZQPWPRF-SYZALDRXSA-N 499.580 5.025 30 20 JKED CC(C)N(CCC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 726533458 YBFVPONDIJLMSG-UHFFFAOYSA-N 496.032 5.500 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1 726573345 AUWUGEFRDCNIQR-UHFFFAOYSA-O 480.440 6.464 30 20 JKED N#CCCCOc1cccc(/C=C2/SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)c1 726800967 BUHISBKZQNGPJO-QGOAFFKASA-N 462.568 6.090 30 20 JKED CCN(C[C@@H](C)C#N)Cn1nc(-c2cc(OC)c(OC)c(OC)c2)n(C2CCCCC2)c1=S 726963525 FUNLOIUMMLHDTR-KRWDZBQOSA-N 473.643 5.051 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(CCc2ccccc2)Cc2ccncc2)c1=S 726964603 UPWXKSGNPKJVKS-SANMLTNESA-N 499.640 5.210 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2\CN(CC(F)(F)F)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728698224 GQTIXQAFBKZQMW-MKUREBJRSA-N 495.501 5.182 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCCCC#N)C1=O 728776695 DNXQMRVJZRNMSX-JOCHJYFZSA-N 499.036 5.620 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c1 728777763 NWIAAWNUBVXWJO-OAQYLSRUSA-N 452.555 5.097 30 20 JKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 728970744 XTCQJWBXCZPSRQ-RDJZCZTQSA-N 473.335 5.308 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2scnc2C)C1=O 729142849 NIIYETYQRHCHNC-NRFANRHFSA-N 494.642 5.237 30 20 JKED Cc1nc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)sc1-c1nnc(S)n1C1CC1 729325247 RNNPOIAKNPYKKN-UHFFFAOYSA-N 474.571 5.250 30 20 JKED CC(=NOCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc2ccccc2n1C(F)F 731029996 MGPFAKKIJSQBCQ-CQSZACIVSA-N 457.506 5.205 30 20 JKED N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 731136623 RTNIRBVJSMGVKJ-QGZVFWFLSA-N 451.773 5.322 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2C(F)(F)F)C1=O)Nc1cccc(O)c1 731307068 PCBWWQLPYUYNHG-OAQYLSRUSA-N 499.514 5.572 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 731308832 QONDATLCRSLRFH-MBSDFSHPSA-N 474.586 5.126 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@H](C)c2cccs2)cc1 731312119 LAHMTKICVGUZAK-PKWGXKOHSA-N 479.627 5.352 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 743524096 GMYRKAITPHKJQK-IVZQSRNASA-N 498.530 5.529 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1F 746697957 QOYYQTHXZPMUBH-QFIPXVFZSA-N 489.588 5.359 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c1 747603435 RSPCQASVTVFUIG-NRFANRHFSA-N 496.633 5.410 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1 750393135 YIWORJGGKBGIFD-JOCHJYFZSA-N 469.570 5.300 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cccs3)C2=O)cc1 837301164 HFELPYBMMBWOHX-QFIPXVFZSA-N 477.611 5.420 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccs2)c1 837345718 LHOFDFJQIPYUJS-NRFANRHFSA-N 465.600 5.226 30 20 JKED N#CCCN(C(=O)COC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1cccc(Cl)c1 839161274 ZAWRODKPXONKOQ-UHFFFAOYSA-N 474.369 5.149 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2ccccc2SCc2cscn2)cc1C 875245196 DHXMNSVQDKNOGB-UHFFFAOYSA-N 465.600 5.156 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 915085506 MWPPJRWXXWDFKB-RMMRYSJTSA-N 472.508 5.225 30 20 JKED CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(-c2ccccc2Cl)s1 915110413 UWAKCCOTYGHGAH-UHFFFAOYSA-N 496.061 5.577 30 20 JKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F 915512247 QPSDRTNUUHTYHS-INIZCTEOSA-N 468.431 5.340 30 20 JKED Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=S)Nc3ccccc3C#N)cc2)cc1 916012693 UKHXCXUONORSIF-UHFFFAOYSA-N 458.587 5.151 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccn2)C1=O 916210930 IMKJRWDXILTQJR-OAQYLSRUSA-N 499.423 5.857 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O 916211382 NJLOAXLHKAYEAR-HXUWFJFHSA-N 489.544 5.200 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1sc(Nc2ccc(C)cc2)nc1Cl 916277274 BIZPRZNSPGEJNZ-UHFFFAOYSA-N 456.984 5.287 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C=Nn1c(S)nnc1Cc1cccc2ccccc12 916278374 JOZZOEFHQBAOSK-UHFFFAOYSA-N 458.978 5.341 30 20 JKED O=[N+]([O-])c1cc(C=Nn2c(S)nnc2-c2cccs2)ccc1Oc1ccccc1Cl 916313952 ITBUVKBXDJZURJ-UHFFFAOYSA-N 457.924 5.531 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916972364 NMWDDADJTZQZSV-RTWAWAEBSA-N 463.628 5.155 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)n2)cc1 916975332 XQNLSZRARVUARE-TZIWHRDSSA-N 484.408 5.906 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2n1C(F)F 917043867 PREDRPZGMKBRHL-ZHRRBRCNSA-N 496.311 6.190 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)c1 917044966 WGLAAYAEQXDASL-VQIMIIECSA-N 485.531 5.661 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)C(=O)Nc1ccc(F)c(Cl)c1 917426283 HFQYRSWFJXNOOK-GFCCVEGCSA-N 498.786 5.317 30 20 JKED CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc1OC 917644831 MWZCYQHKLOIPIE-WQRHYEAKSA-N 489.416 5.524 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@H]1CCN2CCC[C@H]2C1 917663413 MUEQFROPMQDRRC-QNWVGRARSA-N 497.064 5.236 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N(C2CCN(C(C)(C)C)CC2)C1=O 917697831 QPEDUZZQYQVVJH-QFIPXVFZSA-N 486.726 5.264 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1C 919020648 LYCPGPFMGALAQN-UHFFFAOYSA-N 453.951 5.184 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccccn1 920110261 NKHZOYUNMKIINI-XJKSGUPXSA-N 498.326 5.431 30 20 JKED COc1ccc(Cc2nnc(S)n2N=Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1 920369264 JVDHGTCXCAGBSW-UHFFFAOYSA-N 458.465 5.327 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccco3)n2[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 921249927 MYJFKYMMSHTKHQ-KFGODFMUSA-N 467.620 5.269 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)CCC2)cc1 1786105960 CGBFLWNLDOYEBZ-GMAHTHKFSA-N 499.627 5.236 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)nc1 1786869937 RITFBZZIOUGCHL-UHFFFAOYSA-N 496.611 5.429 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4scnc4C(F)(F)F)cc3)CCC2)c1 1787575983 ARYVKSLHBRHNQD-HNNXBMFYSA-N 498.530 5.850 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCC(=O)c3ccc(OC)cc3)cc2)CCC1 1787687760 YCHDRYQSWINWSW-UHFFFAOYSA-N 474.601 5.561 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1788789871 WBPWCCWMRVKNQE-UHFFFAOYSA-N 467.447 5.540 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4cc(OC)ccc4n3)cc2)CCC1 1789028063 AZOHMXOKIXPOFI-UHFFFAOYSA-N 465.500 5.203 30 20 JKED COc1ccc2c(/C=C/C(=O)Nc3ccc(C4(NC(=O)[C@@H](C)ON=C(C)C)CCC4)cc3)c[nH]c2c1 1789119338 PJBFYZBLWGIMRE-CQTFCRGUSA-N 488.588 5.125 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(C#N)cc5)CCC4)cc3)c2c1 1789275223 WTXAKCPXWKQSNX-UHFFFAOYSA-N 478.552 5.039 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3(Br)CC3)CCC2)cc1 1789508144 QEPIAJSUUITWBD-UHFFFAOYSA-N 475.503 5.099 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4c(Cl)c3OC)cc2)CCC1 1790092337 BJSOWTZPZKAFSF-GOSISDBHSA-N 490.987 5.288 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCC2)cc1 1790567080 GXCQCUSCZHXNGE-MRXNPFEDSA-N 494.573 5.358 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790708407 GTQKRZNARFCZQI-LJQANCHMSA-N 470.598 5.076 30 20 JKED Cc1ccn2c(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)cnc2c1 1790974313 KAVVUMAEYNGBLB-FQEVSTJZSA-N 477.568 5.331 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)/C=C\c3c[nH]c4ccccc34)CCC2)cc1)C(F)(F)F 1791302920 CUYCAOHPMSYEML-GHXNOFRVSA-N 453.464 5.434 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H](C)c4cccs4)cc3)CCC2)c(C#N)c1 1791814977 CUFQYXLFGHVDBC-SFHVURJKSA-N 473.598 5.109 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)C2)c1ccccc1 1798555489 QPUDUMQMQVSSLZ-DNMDETFRSA-N 460.643 5.003 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)c1 1800009950 FQRHXJOIBZBYJO-ADYITMSISA-N 487.003 5.065 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)C#N)C2)c1ccc(OCc2ccccc2)cc1 1802082722 SXHCKHRPZMEKQL-SFIUMABJSA-N 487.644 5.193 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1802375784 HIPKNWARFAPFGY-GBXCKJPGSA-N 479.024 5.528 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)[C@@H]2c2cccnc2)C1 1802417461 MGMOVSBZSWMDDG-QFQXNSOFSA-N 480.568 5.109 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1802501924 UYKJXKTYMNJHET-BDYUSTAISA-N 461.650 5.446 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(F)cc2Cl)[C@@H]1c1cccnc1 1804060050 JGZCARZAHNBKSN-RDPSFJRHSA-N 472.004 5.115 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc(Br)c(Cl)cc3C)CC2)C1 1806678886 RBEJZYVNEODPMO-UHFFFAOYSA-N 499.902 5.175 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c(Cl)c1 1808973523 FUBGXKMZJWXCMO-WXVAWEFUSA-N 494.982 5.393 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)c1 1809625100 NPLKHOSJSZSPFU-BBZHWSBISA-N 498.671 5.635 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1809842868 RSCXTWNCIYKMJW-CJFMBICVSA-N 477.605 5.523 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1810181739 JXPFNHDFLYPABI-MVOZIGHISA-N 493.607 6.069 30 20 JKED CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1ccccc1 1810275335 VBEFVYNMMPJOHU-UNCTUWKVSA-N 489.736 5.332 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC=C(C)C)[C@H]1c1cccnc1)c1ccccc1 1810444474 PWSKSYBTHMHTKW-NSVAZKTRSA-N 457.618 5.031 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1814109180 QHPVFLCVFGCMTR-BKMJKUGQSA-N 478.036 5.056 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1F 1814587063 DJIWSNIULWCKEY-JTSKRJEESA-N 459.525 5.104 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)cc2Cl)[nH]n1 1814830172 QXUPJJUNQZYACV-UFSNDUKISA-N 468.985 5.243 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)[nH]c12 1818116151 YZSIRISHVFCUQG-CTDFXDFQSA-N 487.585 5.006 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)n[nH]1 1818160817 QTZLCBGPOYJEBX-NZQKXSOJSA-N 489.576 5.148 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819029387 OUUXXLCVRYLLCP-SFHVURJKSA-N 475.599 5.486 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2Cl)[nH]n1 1819303463 WKRFRPHOTKUQAB-WIYYLYMNSA-N 458.965 5.205 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)Nc2ccccc2)n[nH]1)c1ccccc1 1819327221 JWLHUISEIGQDQN-DSBYRVASSA-N 483.616 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)[nH]n1 1819552500 OBUGUNVLLTVCHM-ONTIZHBOSA-N 452.574 5.337 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)[nH]n1 1819553346 CINBFPPCURHGAD-GOSISDBHSA-N 463.504 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)[nH]n1 1819554133 HFYZYMJDRVBBDK-HXUWFJFHSA-N 492.649 5.535 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820218946 JIVNYDUYBQHAEK-FQEVSTJZSA-N 493.995 5.753 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)c1 1821033516 VUEFQUGSWYALKJ-NRFANRHFSA-N 483.906 5.141 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c1 1821119221 OBRWAVNXCVQQOH-OAQYLSRUSA-N 479.943 5.013 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821175667 MQVYWZYRVSPCCB-OAHLLOKOSA-N 496.539 5.322 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)n[nH]1 1821239910 RJQOCELRVDMYEF-RUZDIDTESA-N 494.599 5.453 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)[nH]n2)c(Cl)c1 1821278826 XVBUILVMIPVZCL-QFIPXVFZSA-N 490.926 5.175 30 20 JKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)[nH]n2)CC1 1822100298 AYNMRUKLLJWNDL-LTMIRXACSA-N 487.608 5.070 30 20 JKED COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(Cl)c1 1823248498 LFFGHVBLGNHDJD-QMHKHESXSA-N 491.979 5.318 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)[nH]n1)NC(=O)OC(C)(C)C 1823347782 FPQZAXHSYXGDIC-VWPQPMDRSA-N 499.656 5.030 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)[nH]n1 1823418923 VFVFZLICKHPCBA-NRFANRHFSA-N 476.577 5.082 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1823658156 IPSCLNOUMLMSMU-QFQXNSOFSA-N 486.660 5.553 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1823810333 QSXUVDIALSOMSA-LJAQVGFWSA-N 479.624 5.116 30 20 JKED COc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)cc2ccccc2c1Cl 1823885253 LVBCKKPVEHONEH-JOCHJYFZSA-N 482.024 5.285 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1824036132 CMLSYJOZZDIWMO-YGLGWZAOSA-N 487.619 5.490 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2Br)CC1 1824962243 GIXBDIRNYILUAW-LJQANCHMSA-N 499.902 5.255 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1)c1ccccc1 1825645183 DANCJBVTJBQDNM-LOSJGSFVSA-N 489.685 5.451 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3)CC2)cc(C(F)(F)F)c1 1826465077 BINOMSCBYBLBFW-XMMPIXPASA-N 483.534 5.053 30 20 JKED C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827684762 RQLLYHFCIAAECN-AHUNDJPPSA-N 478.658 5.301 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COCc2ccc(C)c(C)c2)CC1 1827708339 YNUCGJUSPHETCO-SXOMAYOGSA-N 466.666 5.208 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)CC2)c1 1827762328 OSULWTQQSOGRJT-NDEPHWFRSA-N 496.586 5.306 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1)C(F)(F)F 1827779669 WHWRZZLOFILWHU-LJQANCHMSA-N 493.492 5.440 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1828606972 VVBQPTGDXZVBNP-DEOSSOPVSA-N 489.616 5.654 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1828744050 AWIDXFFIKROLGD-RUZDIDTESA-N 489.019 5.434 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1828828755 RVUAFYOOLHYYHS-VXKWHMMOSA-N 451.636 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1828830423 VKQQSNJLOJCWGZ-AOYPEHQESA-N 482.640 5.616 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1829419651 WTHUMKVJBCSSML-XMMPIXPASA-N 484.625 5.229 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830013129 SKMAHXLIXSWZLT-MUUNZHRXSA-N 492.623 5.476 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1 1830016151 BCVDWKDLKQBJGK-XMMPIXPASA-N 483.534 5.053 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)c1 1830362583 UZRINSGLFRGWEO-RUZDIDTESA-N 481.999 5.135 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)C1 1830531056 DHCRKPGSRYKNFW-OAQYLSRUSA-N 452.492 5.044 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c[nH]c4ccc(C)cc34)CC2)c1 1830764956 BORIPYUFLJNCPM-MUUNZHRXSA-N 482.628 5.132 30 20 JKED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1830795381 OSNWPGYFMXQSTB-SANMLTNESA-N 466.581 5.499 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830987176 FMWZSLRBMMSOKQ-HRAATJIYSA-N 489.479 5.154 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c1 1830992399 NEYIUZRDEJAPMR-FQRUVTKNSA-N 469.585 5.607 30 20 JKED C[C@H](c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)cc1)C(F)(F)F 1831235617 RNUNLUOTBITRHJ-XMSQKQJNSA-N 477.571 5.064 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1831589292 BRKNDXDNUBIGGU-RBFPLYSUSA-N 485.628 5.269 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1832030118 HHYOOUXOWLITMU-RUZDIDTESA-N 495.664 5.461 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sccc3c2O)CC1 1832034634 QDYITXIMMDSKDS-JOCHJYFZSA-N 452.620 5.034 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832711115 SHAJXQCEMRNULZ-LJQANCHMSA-N 476.461 5.289 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)CC2)cc1 1832714883 SOHDFCIYLQYIFP-HSZRJFAPSA-N 488.390 5.551 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832830637 ZABDTQBLDAPDMO-HXUWFJFHSA-N 454.920 5.006 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)c1 1838190714 POYAYSFAOIVTSE-QFIPXVFZSA-N 495.623 5.393 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)c1 10174799 HCDSKWWSDWKBKB-UHFFFAOYSA-O 491.680 6.667 30 20 JKED C[C@H](OC(=O)c1ccccc1OCc1cccc(Br)c1)C(=O)Nc1ccccc1C#N 10824994 VQCDEGIRMVAVFG-INIZCTEOSA-N 479.330 5.084 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc3ccccc23)cc1 11126839 XISFLBVMUDAFIE-UHFFFAOYSA-O 461.557 6.409 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(CO)c2)cc1 11127146 HODXANBINIGWLP-UHFFFAOYSA-O 455.603 5.794 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)c1C 11127915 JBWZDRVTQPZPQL-UHFFFAOYSA-O 472.590 5.300 30 20 JKED N#Cc1ccccc1/C=C/C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 11184079 MAZWMMNMCQMULS-YYVWFHOOSA-N 461.861 5.056 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3C2)nc2scc(-c3ccc(C)cc3)c2c1=O 14175342 DOMCWBKYUNGUKD-UHFFFAOYSA-N 493.679 5.358 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 15848653 FMQGZXAIVTZUDS-CHWSQXEVSA-N 475.586 5.166 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nnc1-c1ccccc1 16696739 DAOIWOIFEPRXBZ-UHFFFAOYSA-N 462.623 5.491 30 20 JKED C[C@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)Nc1ccccc1C#N 16698845 IZEDGMXRKGUJBM-NSHDSACASA-N 460.382 5.035 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccccc4OC)o3)c2C#N)C1 23648629 GHTNEMFPFPFMNS-OAHLLOKOSA-N 496.658 5.950 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1OC 26312571 XBPGTJJCITVHJV-QFIPXVFZSA-N 462.384 5.281 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)c1C#N 28491491 MZJQHKLKYARCHO-HOTGVXAUSA-N 459.571 5.128 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2C(F)(F)F)cc1 32290667 YJXNVLNSAQYYLW-UHFFFAOYSA-N 476.458 5.903 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)n(C2CCCCC2)c1C 32391356 YCOUDOROFPBZMT-UHFFFAOYSA-N 469.014 5.651 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(OCCCC#N)c3)[C@H]2c2cccs2)cc1 71975074 KXROSZPREDHYRZ-OZXSUGGESA-N 473.598 5.862 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cccc(C(=O)Nc4ccccc4)c3C)ccc2c1=O 72051926 DUONKKHNKHAIFQ-UHFFFAOYSA-N 470.554 5.058 30 20 JKED CCCCCCCCCCCCOC(=O)C[C@H](S)C(=O)OCCCCCCCCCCCC 95876216 CMMCURXIPYQGBX-SANMLTNESA-N 486.803 8.603 30 20 JKED Cc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cccc1C(=O)Nc1ccccc1 109655121 RMPXSBFAZBXCHH-UHFFFAOYSA-N 451.482 5.543 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c(C)c1 254818715 KWDDJNLVOUBTPQ-LJQANCHMSA-N 472.408 5.189 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 409542738 BUTJRXQWADWXLE-MXBUBSDBSA-N 474.634 5.285 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3cc(Br)cs3)c2)cc1 409814841 YWXZUMSNXRJDLW-UHFFFAOYSA-N 455.377 5.727 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(Cl)cc1 481518548 NLWGPHWMXZWMPN-QFIPXVFZSA-N 465.912 5.136 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 481831436 UOJLRNUWTKSAPZ-UHFFFAOYSA-N 460.540 5.198 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-n3ccnc3)c2)c1 485230565 NHABPEFQHPIWAQ-UHFFFAOYSA-N 492.988 5.159 30 20 JKED O=C(Nc1ccccc1OC(F)(F)F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 492486846 YFRKJBIVVSWNBH-UHFFFAOYSA-N 477.279 5.720 30 20 JKED C=CCn1c(Sc2nc(COC)nc3scc(-c4ccccc4)c23)nnc1-c1ccoc1C 498684960 ANQVUBIMFCGXCG-UHFFFAOYSA-N 475.599 6.002 30 20 JKED Cc1ccc(OCc2nc(Cn3cc(C#N)c(=O)c4cc(Br)ccc43)cs2)cc1 502826649 KTZTWBJLIVXOMC-UHFFFAOYSA-N 466.360 5.028 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 508140322 ACHXDOSPHVXOQY-UHFFFAOYSA-N 478.552 5.779 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 509228233 UVHYBYDVPYDIIV-LJQANCHMSA-N 461.587 6.280 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)s2)cc1 510643356 FERDIPSUXQJNNJ-LJQANCHMSA-N 488.548 5.206 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 511028526 JREIZXIWLZNRHH-UHFFFAOYSA-N 495.048 6.175 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 511098888 OWCODVGOXGESII-YTMVLYRLSA-N 468.597 5.390 30 20 JKED CC(C)Oc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 516181103 JNQQOGPHNOEXRD-MHECFPHRSA-N 475.976 5.599 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 518600239 MUMJTDOQTZEODF-UHFFFAOYSA-N 464.525 5.177 30 20 JKED CCOC(=O)C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(OC)c1 518754102 DBPPMZFTYSVBOP-DEOSSOPVSA-N 459.502 5.175 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 519908731 MEGWXQAETXUXMB-UHFFFAOYSA-N 490.629 5.069 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)n2)cc1 520655326 YTLTZPROEJULKQ-HSZRJFAPSA-N 467.550 5.585 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4ccc(Cl)s4)nc3C)n2)cc1 520662883 NLYBVJQRHDTGEE-CQSZACIVSA-N 472.016 6.456 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2)c1 521195311 VYKOVJJNIRFIMC-QHCPKHFHSA-N 482.565 5.049 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 521720910 XNMUAMXYWCBFPB-CQSZACIVSA-N 474.011 5.162 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(Br)cc1 553026233 GYBMQKXCVHZCQQ-JXFKEZNVSA-N 458.425 5.619 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 560139112 LDOAWLUZNCUZLW-UHFFFAOYSA-N 486.272 5.427 30 20 JKED CCCCOc1c(Cl)cc(C(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)cc1OC 603444548 DZGCSKXBRJSLFY-UHFFFAOYSA-N 450.944 5.198 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3sccc3C#N)c3c(C)nn(-c4ccccc4)c3n2)cc1 603451902 HFLBKPOAMSDCFE-UHFFFAOYSA-N 465.538 5.590 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)nnc1-c1ccc(Cl)cc1 603526253 APOJYSJUVXBNPZ-UHFFFAOYSA-N 466.010 5.185 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 603738900 ZKXCERFRMWEDPB-UHFFFAOYSA-N 460.946 6.392 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1Cl 603758917 OWVPHUGRCVZBRC-AREMUKBSSA-N 486.015 5.805 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 604447737 FRAMPTQXUPUMPZ-UHFFFAOYSA-N 468.605 5.170 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 608844924 AVUILZRBSUVXPF-XMMPIXPASA-N 495.501 5.608 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3cccc(CSc4cc(Cl)ccc4Cl)c3)CC2)nc1 608951758 RBGQQDGQEUYPQH-UHFFFAOYSA-N 497.451 5.951 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 609061606 FHIVIOXVMUZTOE-UHFFFAOYSA-N 470.529 5.209 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 609062019 RKGWOAMBUUPDRP-SANMLTNESA-N 479.536 5.019 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)cc2Cl)c1 609083962 ODBDOFPFKWUUOJ-XMMPIXPASA-N 494.378 5.650 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(Cl)c1 609084143 CJOJVMBVNHABQW-QFIPXVFZSA-N 482.367 5.650 30 20 JKED CC(C)[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(-c2cccnc2)no1 609206445 OGZBODXIOMMHFO-DEOSSOPVSA-N 482.544 5.295 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(COc2ccc(F)cc2)o1 609378581 QDSKBZANYABOEE-UHFFFAOYSA-N 464.440 6.275 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)c1 609382579 IPVQHUXTUAPCBB-GOSISDBHSA-N 479.627 5.608 30 20 JKED C=CCN(C(=O)CCc1ccc(C(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 611777825 SEIXTXLMWSYIQQ-UHFFFAOYSA-N 468.644 5.489 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1 613392576 ZKDFIAWYPKTWAJ-SFHVURJKSA-N 471.542 5.748 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1nc2ccccc2n1C(F)F 613404377 QAIJCGKSMUCEBI-CQSZACIVSA-N 499.271 5.529 30 20 JKED O=C(Nc1cccc(COc2cccc(F)c2)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542192 ZECYBKHVHRKDDR-HUUCEWRRSA-N 464.381 5.999 30 20 JKED O=C(CCc1ccc(Br)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 621029770 VCPQWDHIIQFNDR-GHMZBOCLSA-N 464.219 5.547 30 20 JKED COc1ccc(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F 642793515 JJQJPWZJZHUIBX-GHMZBOCLSA-N 464.353 5.005 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1ccc(C(F)(F)F)nc1 643188270 IFVJVVHSJQEHKO-UHFFFAOYSA-N 471.332 5.763 30 20 JKED O=c1c2ccccc2nc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 725859628 SMOWIYGSPBMUQA-UHFFFAOYSA-N 463.522 5.166 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 726266419 HNLRZCXSOHDAHD-QHCPKHFHSA-N 480.584 5.056 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 726307852 KQHLUUUMVRWVIV-RBTNQOKQSA-N 475.548 5.950 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 726396685 FZONALLGPCBFPT-QRWLVFNGSA-N 459.999 5.034 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(C3CC3)C2=O)cc1 726420931 KEYBEVZDHCQCCF-PDNRQDKUSA-N 457.621 5.089 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 726691273 BKEYKXUFUUEVKZ-UHFFFAOYSA-N 469.375 5.156 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 726696833 WIXKVOHFBSDFOW-DHLKQENFSA-N 481.531 5.943 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2CC2CCC2)cc1Cl 726888724 BHSXQXAXPPIACG-OAQYLSRUSA-N 488.009 5.118 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cc(C)on2)cc1Cl 726893414 ZWFDJSFWHADEGY-OAQYLSRUSA-N 498.992 5.114 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCC#N)c2ccc(C)cc2)c1 726941718 JFUYSYAHPQQXBW-UHFFFAOYSA-N 494.016 5.590 30 20 JKED CC(C)n1ncc2cc(/C=C/C(=O)c3ccccc3I)c(Cl)nc21 727780090 GWSDLPRPXJARBX-BQYQJAHWSA-N 451.695 5.166 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)c1 728780599 VBGDXIARGZYLIY-QFIPXVFZSA-N 479.005 5.284 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c(OC)c1 729412232 FTGUSLMAKFIKAR-UHFFFAOYSA-N 452.551 5.129 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ncccc3C)C2=O)cc1 729631255 LNAQCBDGLCWVHN-HSZRJFAPSA-N 458.587 5.167 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ncccc2C)c1 729634603 OWMJJVSAQCXLER-DEOSSOPVSA-N 488.613 5.122 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](C)c2cccnc2)C1=O 730944599 YMJKCZOZSLJYBA-KSFYIVLOSA-N 495.004 5.465 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(Br)ccc2[nH]1 731062749 GJKMIHMWGSSPNA-ZDUSSCGKSA-N 472.364 5.120 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C2SCCCS2)cc1 731064934 TYZLAXDVVOOMLU-MRXNPFEDSA-N 472.657 5.745 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2C)c1 731307262 GPKLYWVQLQSYKU-XMMPIXPASA-N 489.597 5.178 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)c(F)c2)c1 731307384 FSDLDONNIPBNQL-QHCPKHFHSA-N 493.560 5.009 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c1C 731309547 XFRVVZBDPCMHOR-GAJHUEQPSA-N 477.586 5.194 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N/[C@@H](C)c1cccs1 731311268 AGGIWMJFTXEWKD-MICHOEDFSA-N 485.656 5.414 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 745313847 YJCJKDZWXPNIIW-QAPCUYQASA-N 454.498 5.254 30 20 JKED C=CCc1cc([C@@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1O 747139749 NLLPIMRPAMEPMR-VWLOTQADSA-N 475.589 5.135 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1C 747598267 AEHDNTODDVQQLY-NRFANRHFSA-N 499.061 5.882 30 20 JKED N#Cc1ccsc1C(=O)OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 748100177 SUMDJJZWSRWYBE-UHFFFAOYSA-N 493.997 5.787 30 20 JKED COc1cc(/C=C2\Oc3ccc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 749744961 CQPZGIKRQBTZBL-JJFYIABZSA-N 487.405 5.487 30 20 JKED CC(C)c1ccc(CSc2nn(CN(CCC#N)Cc3cccnc3)c(=S)s2)cc1 798150769 HRRZUBJQNCGASX-UHFFFAOYSA-N 455.678 5.858 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2ccccc2SCc2c(C)noc2C)cc1C 800583379 PNBMOHLBRHHNDS-UHFFFAOYSA-N 477.586 5.304 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2OCc2cscn2)n(C2CCCCC2)c1C 811858284 HMIWVHNSAMRDDA-UHFFFAOYSA-N 492.601 5.313 30 20 JKED C=CCOc1c(Br)cc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)cc1OC 814289530 QEOWGTDSIUPZEW-MHWRWJLKSA-N 482.446 5.485 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)Nc1sccc1C#N 818028042 RHSISDTVLYEOMY-GFCCVEGCSA-N 452.586 5.257 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 837361900 BGZUZZZZNQTYID-NTKDMRAZSA-N 488.613 5.429 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccccc2F)C1=O 837382483 XLAFMDFKWSQURI-QHCPKHFHSA-N 477.561 5.303 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C3CC3)CC2)c1 837637879 IZPQNPHZZBZRAA-XMMPIXPASA-N 494.636 5.030 30 20 JKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 857502759 SNSFWDIWKWBCEN-OALUTQOASA-N 463.393 6.019 30 20 JKED N#CCCN(C(=O)CCc1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1)c1ccccc1 904491341 DVSVSWBEQGHKAQ-UHFFFAOYSA-N 476.540 5.014 30 20 JKED Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c(Cl)cc2Cl)c1 914446204 SODXAASESYZPPJ-HNNXBMFYSA-N 488.396 5.465 30 20 JKED C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)C[C@@H](C)O1 915351750 BZAOHYDCQZCCFM-DQCZWYHMSA-N 468.601 5.273 30 20 JKED O=C(COc1ccc(C(=O)/C=C\c2ccccc2OCc2cccnc2)cc1)Nc1ccccc1 915984085 HPZYCNBVFRNHRN-VKAVYKQESA-N 464.521 5.574 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(C)cc1 916211669 FEUYAMHPWIYEKR-NRFANRHFSA-N 490.025 5.044 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C)c1 916214870 BXJZOKDYCGZMMT-HSZRJFAPSA-N 477.561 5.303 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 916217460 NMCXJYVUZVDBSN-LJQANCHMSA-N 498.407 5.519 30 20 JKED N#Cc1ccsc1NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl 916553814 UJUJITDMQZAXFZ-UHFFFAOYSA-N 494.425 5.146 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 916888830 ZWBRZFIXMMCDFI-GOSISDBHSA-N 497.571 5.648 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916908623 QOPNQUNWFIUPBL-DEOSSOPVSA-N 462.553 5.625 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 916910250 SAQRZQBINFFRJZ-RDGATRHJSA-N 495.579 5.296 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 916911713 WNIGLOSQPLQNIU-GOSISDBHSA-N 470.754 5.471 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916915262 BCPUHHZBCNHSIS-NRFANRHFSA-N 475.426 6.007 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 917507277 TUIRBSKLKRHCNX-CYBMUJFWSA-N 488.327 5.284 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3)s2)cs1 917560228 SWJMMKVGQJRISG-XFXZXTDPSA-N 464.999 7.106 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 919667539 XYXCFTVRRYKNQH-HXUWFJFHSA-N 499.350 5.551 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)c(Cl)c2)s1 920171907 DDHKXSIDPNUQLB-KPZWWZAWSA-N 466.003 5.210 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 920265467 OJHGODCTBCIDEP-MRXNPFEDSA-N 465.991 5.321 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)c(Cl)c2)no1 920356317 SBRIVYKRSQKWOH-IBGZPJMESA-N 490.919 5.075 30 20 JKED C=CCn1c(S)nc2cc(C(=O)Nc3ccc(Oc4ccccc4OC)c(F)c3)ccc2c1=O 920462517 LZVOWKCVJWFVPG-UHFFFAOYSA-N 477.517 5.064 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1 920892288 KKZAXIKECAJQNH-HSZRJFAPSA-N 497.599 5.190 30 20 JKED C[C@@H](C#N)CN(C)Cn1nc(CSc2nc3ccccc3s2)n(-c2ccccc2)c1=S 921031192 ZCDNZNYWWOSEOA-INIZCTEOSA-N 466.661 5.354 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CCOCCC(C)C)C2=O)c1 921255153 XNNYCBCGZXIAHG-XMMPIXPASA-N 492.645 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c3ccccc3n3ccsc13)C2 1779513785 VOKYTZHZQAUMPT-SKCUWOTOSA-N 493.673 5.274 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(OC)nc34)CCC2)cc1 1786103371 UBJRJGSDFGMCAT-UHFFFAOYSA-N 458.562 5.088 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4cccc(N(C)C)c4)cc3)CCC2)c1 1786706566 FHYFITDISNIBAV-NRFANRHFSA-N 496.611 5.206 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(C)nn3-c3ccccc3)cc2)CCC1)C(F)(F)F 1788670460 XWCUJRXEBNBMLN-UHFFFAOYSA-N 468.479 5.047 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nccn5c4)cc3)CCC2)c1 1789082590 PQSUGMOBZLUAPD-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4sccn34)cc2)CCC1 1789375002 LMDLXXJOIUDRFV-UHFFFAOYSA-N 450.608 5.444 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)CCC2)cc1 1789449509 TTZLFYVRRHDVQI-OAQYLSRUSA-N 469.626 5.192 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454061 OEKJJBGOKIZXJY-LXFBAYGMSA-N 495.664 5.536 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cn1 1790081939 QFZNTVXZHPTMHN-UHFFFAOYSA-N 472.976 5.296 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(-n5cccn5)cc4Cl)cc3)CCC2)C1 1790604913 WUTAWGZGIFPHHK-UHFFFAOYSA-N 460.965 5.240 30 20 JKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C#N)CCC2)cc1 1790692031 GBNBMQJFTKNHTB-UHFFFAOYSA-N 476.577 5.331 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5o4)cc3)CCC2)c1Cl 1790851292 NSOPMSGJQXAHMK-UHFFFAOYSA-N 470.916 5.414 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)c(C)n1 1791769187 DIUMXNMUEDNVBZ-UHFFFAOYSA-N 480.612 5.270 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1 1792171259 JOXVHELNMRXBLW-OKCVXOCRSA-N 490.501 5.064 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(F)CCCCC1(F)F)c1ccc(F)c(C(F)(F)F)c1 1797806724 HZICJQNIFIHRLM-YYQBIWNASA-N 480.424 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)C2 1798593591 USNDEVDLQZDJAH-REPLKXPHSA-N 481.862 5.276 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)[C@@H]1c1cccnc1 1802492429 PXDQDCCYKWWNCG-WXVAWEFUSA-N 472.633 5.112 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2ccc(F)cc2F)[C@@H]1c1cccnc1 1802493338 VYZQBIWINBXFMF-NTKDMRAZSA-N 487.616 5.150 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccnc1 1802500522 ABJURYOROCZQJC-AUSIDOKSSA-N 470.013 5.056 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2C2CC2)cc(C(F)(F)F)c1 1803519778 SPMSZFSIOJBXBW-WKCHPHFGSA-N 467.491 5.020 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cnc(-c5ccccc5)s4)CC3)C2)c1 1805328998 HQJZYVPWEFXUCC-UHFFFAOYSA-N 498.652 5.159 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1805364381 LMGGCVKUMMGGKH-OZXSUGGESA-N 486.616 5.357 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)CCCc4ccccc4F)C3)CC2)c1Cl 1805498234 DRXYVBYSNWCIGU-UHFFFAOYSA-N 481.999 5.218 30 20 JKED CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1806280737 RNZWDLGVZAJJFT-WNQFUHBBSA-N 480.612 5.222 30 20 JKED O=C(CCc1ccco1)N1CCCC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)C1 1807113573 FBWMASUWWBVBIH-UHFFFAOYSA-N 480.608 5.157 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@H]1c1cccnc1 1807480374 SRXWCMBITUUVAG-LITSAYRRSA-N 497.639 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1807846719 XJGSDEYUNVOWPW-NAKRPHOHSA-N 496.655 5.764 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)C1)c1ccccc1 1809163471 QOTSVEFSNGWXQX-RLWLMLJZSA-N 497.643 5.109 30 20 JKED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)c3cc4occc4n3-c3ccccc3)CC2)C1 1809298211 YYPIKEBIWBNLEB-UHFFFAOYSA-N 491.591 5.120 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)[C@@H]1c1cccnc1 1809694275 LNMFMTOXAFOCEU-DVECYGJZSA-N 462.569 5.014 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1810271049 CISGQYZQLIOGHA-WIOPSUGQSA-N 482.100 5.106 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc4ccccc4c(Cl)c3OC)[C@@H]2c2cccnc2)C1 1811438145 GVRAKUHPZPQLFG-NLFFAJNJSA-N 490.003 5.183 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)s1 1813369801 AVLFIRUNSAYZNW-LELLYZCJSA-N 491.016 5.010 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)C(C)(C)Cc3ccccc3)[C@H]2c2cccnc2)c1 1813863383 JFSKUQIQRRDKLE-WWEDSPNTSA-N 494.639 5.297 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c1Cl 1813879264 OSQFPVRTALMOAZ-AJTFRIOCSA-N 499.014 5.119 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccnc1 1813902403 JKRKKIIQUTYCLP-NFBKMPQASA-N 470.013 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)Sc2ccccc2)n[nH]1 1815093668 YOZAVYJKXUZYNL-DWLFOUALSA-N 452.624 5.351 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1815219554 OQXRVZQQBOBTCR-SJCJKPOMSA-N 485.799 5.267 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(F)(F)F)c[nH]2)n[nH]1)c1ccccc1 1818208207 WPXOLYMAYHTVND-SIKLNZKXSA-N 497.521 5.260 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1 1818919917 OELGKGXJFNJOPV-NRFANRHFSA-N 497.437 5.090 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(F)c(C#N)c3)n[nH]2)oc2ccccc12 1820915063 JMJPTFJFPSZYCG-JOCHJYFZSA-N 485.519 5.024 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)[nH]n2)CC1 1820978670 SCGDVCNWHNYFGE-HSZRJFAPSA-N 479.600 5.262 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3Cl)[nH]n2)c(Cl)c1 1821277310 USKFRNDDMHCIGC-HXUWFJFHSA-N 468.344 5.208 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c1 1821325308 GAUJSQZVCBLWBQ-HXUWFJFHSA-N 465.916 5.002 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc4cccc(Cl)c4c3)n[nH]2)cc1 1821568979 CIOMIEDVNUJCSM-XMMPIXPASA-N 498.974 5.297 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1821925423 SPGNLLXVWOGIFP-YCRPNKLZSA-N 451.958 5.129 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(OCC)c(OC)c2)n[nH]1 1822271409 KYGABOSTSBIALY-OAQYLSRUSA-N 482.625 5.044 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1)c1ccc(O)cc1 1822469339 KYOUILJMBIQYBA-RAKYAITLSA-N 496.558 5.050 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(SC)cc2)n[nH]1 1822596882 PEQZLBXFSMOMBC-UNMCSNQZSA-N 452.624 5.135 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823676176 QKZHGTBDIUBZQF-FGZHOGPDSA-N 462.059 5.009 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(OC)c23)CC1 1824143239 ISTNYHAXSJQRRI-XMMPIXPASA-N 463.622 5.178 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccc3ccc([N+](=O)[O-])cc32)CC1 1824371357 NYWCVROYFRCMMF-XMMPIXPASA-N 494.636 5.162 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1824539513 CPCRXQGHYVQPFO-ATIYNZHBSA-N 493.673 5.616 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824837442 PEKTXYLJYODDMD-JNLHQURASA-N 493.570 5.139 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)CC1 1826496625 FNUGQDPMLRMTIS-RUZDIDTESA-N 470.705 5.039 30 20 JKED COc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC#N)CC2)cc2ccccc2c1Cl 1826692290 KTABFJNKCJUHHM-QFIPXVFZSA-N 467.997 5.039 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828509043 KWRHEIYYZLXROM-NRFANRHFSA-N 497.508 5.631 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)CC1 1828524740 RQAYSLIFENUHAI-HSZRJFAPSA-N 466.622 5.667 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1828822036 DEANEYZIZFVDJI-VWNXMTODSA-N 476.583 5.636 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1828824449 LBMPHFJLQXBRPC-QGDZQMKYSA-N 452.639 5.187 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2Br)CC1 1828828738 RQXRGJMQPMTMSM-ICSRJNTNSA-N 463.416 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1828828899 ULGRHJHLBIWGGP-ISKFKSNPSA-N 465.663 5.606 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1828886014 TYERXOWUYJEHHC-SXOMAYOGSA-N 492.635 5.299 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccs2)CC1 1828903439 ATRLWGSJCNROPM-DEOSSOPVSA-N 472.771 5.352 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(OC)c2)CC1 1829071360 PFVVCBBBYXZNMK-QHCPKHFHSA-N 461.046 5.574 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)CC1 1829390528 WBKFLHGOVJCTTD-CTNGQTDRSA-N 463.544 5.102 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccc(F)cc3)CC2)c1 1829959201 PMLQXJYVCJLVOS-MHZLTWQESA-N 496.586 5.306 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2F)CC1)c1ccc(O)cc1 1830094324 SBZCWYMUMOWYJG-AJTFRIOCSA-N 494.582 5.101 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)c1 1830119986 ALKASWFXWZIVNF-IDISGSTGSA-N 473.617 5.178 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)CC2)c1 1830422797 ACSCKRSOCWSDBN-SANMLTNESA-N 479.665 5.407 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CC2)CC1 1830448829 CSKQRAFYLSLPBD-IZZNHLLZSA-N 491.582 5.422 30 20 JKED CCCC[C@H](CC)COC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC#N)CC2)cc1 1830686589 IOPVJGDCLSHWDR-BKMJKUGQSA-N 495.664 5.207 30 20 JKED CCc1ccnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830756063 RDQVSTFXOQZUEV-XMMPIXPASA-N 498.549 5.082 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831376050 IMTDAQZLHQYVHX-VGSWGCGISA-N 468.535 5.219 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2Cc2ccc(F)cc2)CC1 1831718323 QSPKRNFDIYQQBJ-MHZLTWQESA-N 462.609 5.155 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1)c1ccc(O)cc1 1831926183 ZPSQHBPLORWMMK-LEAFIULHSA-N 497.639 5.304 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C(C)C)CCC3)CC2)cc1C#N 1832493677 UDNKFFDTJJCQDH-RUZDIDTESA-N 479.665 5.405 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)s3)CC2)c1 1832633784 DTCMGICIYOZRED-LAUBAEHRSA-N 453.583 5.061 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705619 CQJQLEZTQDBQKU-QGZVFWFLSA-N 468.413 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)CC1 1838153746 DFQUNAFJLBGGMM-UHFFFAOYSA-N 489.660 5.353 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)CC1 1838743075 BHRFIJUSAUJLSI-CJFMBICVSA-N 475.073 5.290 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](F)c4cccc(F)c4)c2)C3)cc1 1841006500 LZANWWNOEUARHB-MUUNZHRXSA-N 499.561 5.206 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1[nH]c3ccc(Br)cc3c1C)C2 1841058360 AJBVESFFNFPHER-UHFFFAOYSA-N 472.427 5.048 30 20 JKED C=CCOCCCC(=O)N1CCCC12CN(C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C2 1841605875 DHAMUQRLEVEOEN-UHFFFAOYSA-N 454.655 5.081 30 20 JKED COc1c(C(=O)N2CCCC23CN(C(=O)c2ccc(C#N)cc2Cl)C3)cc2ccccc2c1Cl 1844753398 MHLJDWBQASGXOJ-UHFFFAOYSA-N 494.378 5.158 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccc2c(c1)CCCC2 10118307 AQIIQWCSMNJKAZ-UHFFFAOYSA-O 459.635 6.036 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(CO)c2)cc1 10759611 UTAIMECXGSGNSG-UHFFFAOYSA-O 472.005 5.607 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2cccc(C)c2)c(Cl)c1 15248233 FZBAZBRELRLGJS-UHFFFAOYSA-O 454.959 5.512 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 17186970 GQGRLGLNLNIEHI-UHFFFAOYSA-N 452.681 5.006 30 20 JKED C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1 21180167 OZWMVQKBZAEBPU-UHFFFAOYSA-N 456.999 5.113 30 20 JKED CCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2cc(Cl)ccc2c1=O 22062731 JCYOGHIEJRAMMB-GFCCVEGCSA-N 473.023 5.001 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2CC)nnc1-c1ccc(Br)cc1 24015667 MVXJSMDCQWWPMX-OAHLLOKOSA-N 471.424 5.575 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2cccs2)c1 24538470 BDTIBYWHQXIJFZ-QGZVFWFLSA-N 475.035 5.616 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1 26170464 BXCYNVSGSFAYSC-UHFFFAOYSA-N 452.557 5.074 30 20 JKED Cc1nc(Cc2ccccc2)sc1/C(O)=N/c1nnc(SCc2ccc(F)cc2)s1 30560704 XPWIJKGQFBMCLL-UHFFFAOYSA-N 456.593 5.962 30 20 JKED CCOc1ccc(-c2csc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 71930783 LUQMSRHVYSBQRR-UHFFFAOYSA-N 489.557 5.184 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c2C(F)(F)F)cc1 107591448 YUIJJEHOKPGMPY-UHFFFAOYSA-N 468.357 5.265 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1Cl 195622708 XSRRVVJLVLYUOO-HXUWFJFHSA-N 480.877 6.452 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1 255501306 NYGPUEOYRGLPNU-FQEVSTJZSA-N 455.486 5.027 30 20 JKED CCCNC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 302997716 HOYXJDNSSINNTG-UHFFFAOYSA-N 463.990 5.896 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(COCc3ccccc3)cc2)cc1 480210854 DSERDVAZOOGZIF-UHFFFAOYSA-N 478.617 6.497 30 20 JKED CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 481915368 BDVYPTVZSGTLGA-UHFFFAOYSA-N 496.592 5.795 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 499028087 WHEDXLFBCNMGHO-QHCPKHFHSA-N 470.356 5.117 30 20 JKED CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc21 499393704 KYEOZNTZHZHLJY-UHFFFAOYSA-N 469.541 5.161 30 20 JKED CCn1c(SCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)nnc1-c1cccc(C)c1 501160012 KEQUJDQKKWNURL-UHFFFAOYSA-N 499.615 5.918 30 20 JKED C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1)C(=O)N(C)CCC#N 501578484 GWEKNWUTECFHHB-IBGZPJMESA-N 461.635 5.144 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(NC(C)=O)c(SC)c1 501769236 XYHUALMORYMNEP-UHFFFAOYSA-N 451.361 5.097 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1C1CC1 502729707 WGWDLULSAYJXAP-INIZCTEOSA-N 451.621 5.148 30 20 JKED Cc1ccc(C(=O)N(CCC#N)CCC(C)C)cc1NC(=O)c1ccc(Br)cc1 505206691 CMWUIZMUVHBAHM-UHFFFAOYSA-N 456.384 5.412 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)c1 505807046 OGTZIXXRYVFOKJ-UHFFFAOYSA-N 482.584 5.204 30 20 JKED C=CCn1c(SCC(=O)N(CC(F)(F)F)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1 512619654 ZUPRKZXQDCBCRB-UHFFFAOYSA-N 487.960 5.237 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)nc2ccccc21 513681710 IBHJHWGRRNUHQQ-SFHVURJKSA-N 474.446 5.059 30 20 JKED N#Cc1ccc(OCC(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)cc1 514057195 UHKFAOHODNUFBQ-FQEVSTJZSA-N 498.402 5.035 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 514503570 IUXYRAGRDJYOAG-UHFFFAOYSA-N 451.548 5.238 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 515136711 PDBMQGUOCDLVQG-UHFFFAOYSA-N 459.493 6.239 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C(F)(F)F)c1 515623641 UVYKNEKOXPCUIF-SFHVURJKSA-N 475.879 5.687 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)N4CCCCC4)CC3)cc2Cl)cc1 515798795 KSBGZMIOJLGYQY-UHFFFAOYSA-N 466.969 5.260 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1Cl 516346833 UAJMSBQXERRRRD-QQSVUBKYSA-N 487.987 5.218 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)n1 516794436 CSIDDKNAFURLJQ-LJQANCHMSA-N 474.517 5.110 30 20 JKED Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nnn1-c1ccc(F)c(Cl)c1 517486530 ZGMKBVOHOZBIPM-UHFFFAOYSA-N 463.925 5.319 30 20 JKED CCCCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2ccccc2c1=O 518130131 LDOCUTNMADQOMH-KRWDZBQOSA-N 466.632 5.179 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 518682060 PSOIWTKBRTZOFV-QGZVFWFLSA-N 476.568 5.743 30 20 JKED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518752925 DLLJRXXKAHJKAO-UHFFFAOYSA-N 450.489 5.224 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC 520141120 BKZOBOKUSXUXEA-UHFFFAOYSA-N 478.552 5.257 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3I)cc2)c1 521314740 UZUHLSUVNQQJLM-UHFFFAOYSA-N 485.237 5.116 30 20 JKED Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 521733652 YIKVIQMBOJGGBI-QHCPKHFHSA-N 459.977 5.336 30 20 JKED CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521742967 VBMGWCIEEYJJCO-WBVHZDCISA-N 455.546 5.371 30 20 JKED COc1ccccc1CC1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 522548163 JWCSJPFZMKJSMI-UHFFFAOYSA-N 456.590 5.184 30 20 JKED COc1ccc(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC(F)F 523939640 WEXGXKBCZIAJIF-UHFFFAOYSA-N 483.490 5.262 30 20 JKED CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 524392695 YZRPFSIGSKOZBP-IBGZPJMESA-N 453.970 5.014 30 20 JKED COc1ccccc1CN1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 524442148 SLGCZMARQRJQQC-DEOSSOPVSA-N 474.992 5.354 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCc1cn(-c2ccccc2)nc1C 560163904 AFACBZLTXIDKCL-UHFFFAOYSA-N 479.584 5.694 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 567574774 MIQNXDVYBSOCGX-GOSISDBHSA-N 480.615 5.061 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)cc1 589309865 QFXFPILSKCSTSI-UHFFFAOYSA-N 491.547 6.098 30 20 JKED Cc1csc(Sc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2[N+](=O)[O-])n1 603527434 QABDPILWHIYJMD-UHFFFAOYSA-N 452.561 5.433 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 603601162 SKSQCGYQUBHEJU-VWLOTQADSA-N 451.551 6.526 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc3ccccc3c2COc2ccccc2Cl)n1 608846013 PJVJDXGOUKGUNE-OAHLLOKOSA-N 480.929 5.788 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)N1CCCC1 609078815 QBUFUSIEHWPCTL-HHHXNRCGSA-N 484.600 5.413 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 609172527 DSWUPCPNUVHWCF-UHFFFAOYSA-N 457.917 5.935 30 20 JKED C=CCn1c(SCc2csc(-c3ncccn3)n2)nc2sc3c(c2c1=O)CCCCC3 613806069 BFDCLHRGRFWWDA-UHFFFAOYSA-N 467.645 5.119 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 613905191 CVZSQCRHIFVKOQ-IBGZPJMESA-N 474.417 5.289 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)nnc1[C@H]1COc2ccccc2O1 613907601 IWXONGIEJAPIAB-WIYYLYMNSA-N 484.647 5.034 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1NC(=O)c1ccccc1F 618303620 NUVYOALYSZUODH-GJZGRUSLSA-N 476.392 5.589 30 20 JKED FC(F)(F)[C@H]1C[C@@H](C(F)(F)F)CN(C/C=C\CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 618451173 OBMIIDUQOFZYRX-LJODTIAWSA-N 494.364 5.668 30 20 JKED O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 619659057 OTZNZELWBPKVJG-HTQZYQBOSA-N 461.321 5.032 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(OC(C)(C)C)cc2)nnc1-c1ccc(Cl)cc1 620331537 JTBJQRVXKULVKA-UHFFFAOYSA-N 471.026 5.370 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 726321920 CAZIFFIJIJUDJP-VJFUWPCTSA-N 477.552 5.747 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N/[C@H](C)c1cccs1 726422228 VXWHCPNNFTVPQK-CKDLXSCCSA-N 469.604 5.473 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCc3nccs3)C2=O)c1 726423389 ZBSDSVWYXHXFFJ-HYEMBQADSA-N 498.699 5.454 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@@H](C)c2cccs2)cc1 726576870 JEDLWBYPWORSFF-IBGZPJMESA-O 494.706 5.957 30 20 JKED CCOc1c(OC)cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726627963 WBUSIGSCKVNFOR-NVMNQCDNSA-N 460.964 5.033 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(F)c(Cl)nc2Cl)n(C2CCCCC2)c1C 727523073 ZXVKYECZZOUJDH-UHFFFAOYSA-N 467.328 5.118 30 20 JKED CC(=O)N(c1nc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)cs1)c1ccc(F)cc1F 727780054 FUQZCEROJSYPOE-NYYWCZLTSA-N 493.304 5.830 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1cccc(Cl)c1Cl 728299234 OXIHUCOCUDVDPQ-CQSZACIVSA-N 458.320 6.022 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(Cl)cc3)C2=O)cc1 728424803 IEYKAIZXECWNLT-HSZRJFAPSA-N 499.983 5.244 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 728429583 IWVGWPIGVQAWIS-HAJPMWLPSA-N 499.621 5.081 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2scnc2C)c1 729145177 JKFSCKFAFQRYPC-NRFANRHFSA-N 494.642 5.183 30 20 JKED CN(C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1)C(=O)OC(C)(C)C 729564922 LALRAPUCGSUCFI-LJQANCHMSA-N 450.539 5.071 30 20 JKED C=CCc1cc(CNCc2c(C)nn(-c3ccc(Br)cc3)c2C)cc(OC)c1OC 729683492 SCLBWMTWKYOXBL-UHFFFAOYSA-N 470.411 5.287 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)C1 730438266 MEYSLTHCOGCRKL-NRFANRHFSA-N 485.053 5.810 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 730692105 SSUNLUCVEVUFSR-QRWLVFNGSA-N 475.353 5.623 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cocn3)C2=O)cc1 730724506 NGIDTXMNUZGMSU-HSZRJFAPSA-N 470.554 5.297 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(C2CCCC2)C1=O 743523708 BJTDYTWVYFQUOP-NRFANRHFSA-N 455.555 5.046 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CC)CCC)c1 743835715 FBBBSRJLQQSAGO-QGZVFWFLSA-N 465.015 5.038 30 20 JKED COc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 746631930 QUSQLYMFEXAMQZ-MRXNPFEDSA-N 493.585 5.055 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)c2ccccc2)c(Cl)c1 747154706 JLMPMRWELJTDMU-HKOYGPOVSA-N 474.988 5.698 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cscn2)cc1 747601261 URECCHJMKABEQV-HSZRJFAPSA-N 486.622 5.765 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sc(N2CCCC2)nc1Cl 749943337 WXHORFSAPMQYAG-UHFFFAOYSA-N 458.784 5.127 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@H](COCC(C)C)c2ccco2)C1=O 750916674 OEOWFIBMALWQJM-MJGOQNOKSA-N 498.432 5.068 30 20 JKED N#Cc1ccc(Br)c(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)c1 864009915 BMRNKRVOYCGMKZ-UHFFFAOYSA-N 455.400 5.137 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)n(Cc2ccc(F)cc2)c1C 869877096 OJSLNRYYSNSVMO-UHFFFAOYSA-N 469.492 5.049 30 20 JKED N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)sc2c1CCC2 877890421 ZZDCZEPZBZGHGN-UHFFFAOYSA-N 498.029 5.156 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 904491175 RWAMPHPEGDZGAG-NRFANRHFSA-N 472.549 5.394 30 20 JKED CCN(C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 914509220 GQZGDHZELIBCAR-NRJHKNTJSA-N 459.546 5.374 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914548626 NSFKSYILBQCAGZ-IFMALSPDSA-N 453.995 5.092 30 20 JKED C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915087355 SFHKGFYIHXSDLI-RXFWQSSRSA-N 473.598 5.157 30 20 JKED N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccccc2n1C(F)F 915105010 YCCZPJAHHYKKGB-UNMCSNQZSA-N 488.494 5.145 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)N(CC=C)c2cccc(C(F)(F)F)c2)c1)C(C)C 915147564 CTLCWAFAMSJWEY-UHFFFAOYSA-N 466.525 5.123 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915353869 YSPSFFOMLAWXDR-QFIPXVFZSA-N 491.389 5.515 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2cccc(OCc3cccc(C#N)c3)c2)c1 915956946 JCPLJQKXMUUZKF-UHFFFAOYSA-N 469.570 5.096 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 916204626 HQBDJJCLTHCXRM-IBGZPJMESA-N 481.952 5.005 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccc(F)cc2)c1 916210380 CULAHYORNNWFRI-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(OC(F)F)cc1 916211377 NJJLXXQGAQTDNF-IBGZPJMESA-N 477.533 5.057 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccco3)C2=O)cc1 916212037 QYQCIMMYEUPQSJ-QHCPKHFHSA-N 475.570 5.260 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)c(OC)c1 916217079 DRSGTNKVVZGSOK-LJQANCHMSA-N 494.400 5.133 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1 916681151 PRFJQXBCDRAJGF-SANMLTNESA-N 464.525 5.187 30 20 JKED Cc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1F 916976555 SHMQAVXXCJVECL-MAUKXSAKSA-N 453.926 5.140 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C 916977713 XFUFCBHWCBJFQG-IBGZPJMESA-N 480.018 5.630 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S 917457579 MBBRXGIPYVKDQD-FQEVSTJZSA-N 453.637 5.063 30 20 JKED O=C(Nc1cccc(C/N=C/c2cc(Br)cc(Br)c2O)c1)c1ccncc1 917558464 SJJFKPINNDBTSD-WYMPLXKRSA-N 489.167 5.184 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccnc(C)n3)C2=O)c1 917658535 KIHNXCCKSIYONF-HSZRJFAPSA-N 487.629 5.179 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2C[C@H]2CCCO2)cc1 917666253 VVRNRPDSGGCASN-RPWUZVMVSA-N 494.661 5.015 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nccn3-c3cc(C)ccc3C)n2)cc1 920142810 MMDGFGVVSFZCKF-FQEVSTJZSA-N 474.611 5.590 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccnc3SC(F)(F)F)s2)c(C(F)(F)F)c1 920279714 PBXFUQMGOSLSHA-UHFFFAOYSA-N 488.438 5.884 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1c(C)noc1C 920353273 FOYNFDYDBNRPEU-NRFANRHFSA-N 484.528 5.039 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Cl)cc1 920807131 YSMIENVBUKBGEQ-CRAIPNDOSA-N 459.905 5.185 30 20 JKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(C)c1 920892524 NYKFBLMCLNUURC-NRFANRHFSA-N 458.562 5.190 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 920893012 SLMNWINBALBWAS-GOSISDBHSA-N 494.979 5.235 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 921034945 HEMPRYBRDJYXIX-IIBYNOLFSA-N 471.513 5.215 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(C)(C)C)oc1C)C2 1779508803 QXOACZJSFIYBEW-JIPXPUAJSA-N 458.643 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(Cl)cc(C)nc3c1)C2 1779511509 KECBPFQVCMVHKW-UFHPHHKVSA-N 498.067 5.317 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCc3cnc4[nH]ccc4c3)CCC2)cc1 1786104508 WVQHSABUERXXHT-UHFFFAOYSA-N 456.590 5.398 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)CCC2)cc1 1786360865 XKBYFZGGKWCTCQ-HNNXBMFYSA-N 478.898 5.145 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cccnc3C)cc2)CCC1)c1ccc(O)cc1 1787322714 NYAJAUGKYAXKTI-QFIPXVFZSA-N 467.569 5.041 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)CCC2)cc1 1787648952 VHTXOZFWDNSKSY-UHFFFAOYSA-N 460.537 5.563 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cc(Br)cnc45)CCC3)cc2)CC1 1787879918 BVWXDKBDFZRYMM-UHFFFAOYSA-N 489.373 5.049 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4cncn4c3)cc2)CCC1 1789365446 GIUHSUOEVHZKOC-UHFFFAOYSA-N 472.665 5.133 30 20 JKED COc1ccc2nc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)ccc2c1 1790257330 UZNKPPDOOHBGRN-UHFFFAOYSA-N 476.536 5.177 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C(F)(F)F)n4)CCC3)cc2)c1 1790258313 DDKNCNVSDUYSRS-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1 1790648512 UGHXIBPQEGPJBK-UHFFFAOYSA-N 492.469 5.102 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790947993 QRLJVGIPLZRTGV-IBGZPJMESA-N 483.568 5.767 30 20 JKED COC(=O)CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791663250 QXFAJMXTAWQHHT-FQEVSTJZSA-N 475.589 5.185 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccnc4Cl)CCC3)cc2)c1 1792123289 SJRSXZHNAYLWOH-SFHVURJKSA-N 472.976 5.352 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cccc4c3CCCC4)cc2)CCC1 1792129858 GOMUHIFATVPSQM-RDRPBHBLSA-N 455.558 5.025 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)ccc1F 1792168311 MABYIBRWHMFTAY-UHFFFAOYSA-N 486.547 5.250 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)ccc4F)CCC3)cc2)CCC1 1792229014 RJGDIGRRVXAEAY-UHFFFAOYSA-N 470.342 5.030 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)cn4ccccc34)CCC2)cc1 1792265257 GTZLYNLLEBVZJN-UHFFFAOYSA-N 461.565 5.767 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccnn3C)c(Cl)s1)C2 1792571796 LJTQWJCESOZAPV-BJWYYQGGSA-N 475.058 5.046 30 20 JKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C 1800175769 NUDIJEBFMFYDGO-KIHHCIJBSA-N 489.701 5.072 30 20 JKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(OCc2nc(C(C)(C)C)cs2)c1 1800816070 BKOGHTFHMHCCMX-KOUNCHBCSA-N 493.673 5.075 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1803600843 DXMMKMIGDPIYHQ-NDXORKPFSA-N 488.078 5.224 30 20 JKED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1804185517 RPGFUUUZGKQERP-WKCHPHFGSA-N 460.540 5.418 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)C1 1805453505 IQQGDWZAQJKHKV-DOEKTCAHSA-N 475.677 5.364 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1807478185 VZHQHKXQQHNXKL-FIBWVYCGSA-N 473.661 5.256 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808828764 WECGPEGLKILPRN-NOZRDPDXSA-N 486.641 5.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(s2)CCCC3)[C@@H]1c1cccnc1 1809770516 IOUGCZOMYOSQKR-FBLLAGFSSA-N 463.647 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1810175642 NGUIQLPPZLUQPC-LGVFNWMJSA-N 451.998 5.131 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cc4nc(C)ccc4o3)C2)CC1)c1ccccc1 1810272224 NQYMIDMITSMALU-XMMPIXPASA-N 483.612 5.178 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccccc3)CC2)[C@H]1c1cccnc1)c1ccccc1 1810441538 RUUAVLCCHQQFSQ-ZXRKZBAXSA-N 491.635 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1810503278 PIFUCSVOQWHEIP-CVDCTZTESA-N 477.630 5.314 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1810505444 UUUCAKBOVNLCSI-ZCYQVOJMSA-N 453.671 5.686 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4s3)[C@@H]2c2cccnc2)cc1 1811361328 WVXITQLFBAKRPI-HFZDXXHNSA-N 498.583 5.135 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1812671609 JJWGWOFZKXOQEX-AHWVRZQESA-N 483.603 5.274 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1812809292 NLGUQHVRHPQHDU-ATIYNZHBSA-N 495.067 5.923 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1 1813220914 IBMGYNOCJLTJNB-LBNVMWSVSA-N 471.645 5.101 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2F)[C@H]1c1cccnc1)c1ccccc1 1813569480 ABTWAQQIRLSRMZ-HRHHFINDSA-N 497.614 5.057 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)oc2ccccc12 1813866377 QHMJLEBRDXVUIZ-BRBPODBZSA-N 492.579 5.397 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813967049 HRKXXGUZEMQBTJ-DENIHFKCSA-N 491.529 5.552 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1814825045 NTTBUMASNPIESR-JOCHJYFZSA-N 465.985 5.619 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679261 QYRHVEOUOSTIAB-HNNXBMFYSA-N 479.940 5.190 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)o2)n[nH]1)c1ccccc1 1818426803 NKLFEJDZELOJFP-QUCCMNQESA-N 464.953 5.159 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3sc(C)nc3c2)n[nH]1 1818698903 JFWAQTSCZDFNOE-HXUWFJFHSA-N 465.623 5.626 30 20 JKED CSc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1O 1820196699 SUFLITPZOXIBSJ-IIBYNOLFSA-N 489.601 5.084 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cc2cc[nH]c2cc1F 1820200780 RVSZMBKFOQUPPJ-HSZRJFAPSA-N 489.938 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)n[nH]1 1820285434 WJGMXRHUKZZSIU-AUSIDOKSSA-N 493.011 5.528 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)[nH]n2)cc1 1820551165 GXVZWTKIAAKZAC-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)n[nH]2)C1 1821007312 QBYROIPAJHOFOL-RSXGOPAZSA-N 490.554 5.880 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CSc3ccccc3)[nH]n2)c(Cl)c1 1821276451 SNTAFYSSOXFUDN-NRFANRHFSA-N 479.993 5.033 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821365187 UVVCGPGOUKLUTA-HSZRJFAPSA-N 462.500 5.074 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)[nH]n1 1822584581 WGKXRMPDTWFGHJ-NRFANRHFSA-N 496.409 5.153 30 20 JKED Cc1cc(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1823192024 WSZUGEDPISSKNS-UZUQRXQVSA-N 475.980 5.618 30 20 JKED O=C(CCCC(F)(F)F)N[C@H]1CCc2nc(NC(=O)c3cccc(C(F)(F)F)c3F)sc2C1 1823301112 SZKXLSMVOQSCNC-JTQLQIEISA-N 497.436 5.259 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1823752751 YIYGDMMNRXLCJW-HSZRJFAPSA-N 467.679 5.830 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Br)ccc3F)CC2)c1 1823931876 JRYYBNABODLRJX-QHCPKHFHSA-N 498.396 5.007 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053426 XUHZDBLNCPFPAY-MHZLTWQESA-N 491.752 5.162 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1824240271 FSGCOOMBWYDKTC-HDXVFLSXSA-N 492.685 5.547 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826476158 CBMMTDRMACTQEQ-LADGPHEKSA-N 476.583 5.636 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1)n1cccc1 1827632085 SNEDVKBEJXLTJV-GDKKVTFASA-N 474.649 5.390 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccnc(C(C)(C)C)c2)CC3)c1 1827693843 MIFHDPWAUVXPMH-JXFKEZNVSA-N 487.629 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4nc(C)sc34)CC2)c1 1828095909 IXBANPMYWFZOHE-VWLOTQADSA-N 486.641 5.332 30 20 JKED Cc1cc2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c2cc1C 1828853245 ILBBLUMMTKWIDO-IDISGSTGSA-N 497.643 5.354 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1828884019 LKDWYSNHCLORKR-DHLKQENFSA-N 499.051 5.406 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1828890097 ZYVYSVCAXSZBKI-DHIUTWEWSA-N 495.491 5.119 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c(C)c1 1828985117 XLDXEGUDIKDIOW-MHZLTWQESA-N 490.623 5.050 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(NC(=O)OC)c2)CC1 1829068785 QFOVNRYLTXIAHX-QHCPKHFHSA-N 469.626 5.091 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)c1Cl 1829690091 KDCFDBPHOZUCMU-SFHVURJKSA-N 460.361 5.005 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830418205 PXQVLJUKCFUCOX-JTSKRJEESA-N 482.452 5.336 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830441027 LHLYYYHQZFZTQG-QHCPKHFHSA-N 478.555 5.059 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSc3ccc(F)cc3F)CC2)cc1 1830626885 AFXGAWPHCAANDT-XMMPIXPASA-N 497.611 5.056 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccc(Cl)cc1 1830715419 WBVZOPDSJWJFKL-BVZFJXPGSA-N 481.999 5.388 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCCCC3(F)F)CC2)c(Cl)c1 1830720547 AWEHYIUNNISYBU-UNMCSNQZSA-N 477.983 5.270 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(F)c3F)CC2)c1 1830780544 XUJZAIIXWNRIQO-XMMPIXPASA-N 465.544 5.000 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(Cl)ccc3Br)CC2)C1 1831320210 TZOGYLBOVQSKMH-QFIPXVFZSA-N 493.873 5.231 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1831858039 BTSLCEXYEICERA-VWLOTQADSA-N 455.602 5.416 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc2c[nH]nc12 1832634106 NXUNQPAAJHKWDI-FNZWTVRRSA-N 483.616 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1835679398 HXGOQBSONVMJPD-QPVYNBJUSA-N 479.709 5.156 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)CC1 1836696343 FWEGCCDNQLZAIE-UHFFFAOYSA-N 484.040 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)CC1 1838424663 UXVIEKMAPIXWCO-HSZRJFAPSA-N 487.084 5.361 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3ccccc3c(Cl)c1OC)C2 1841057796 ZHEQGLJRJZILLT-UHFFFAOYSA-N 454.998 5.311 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)CCCCCCC(=O)OC(C)(C)C)C2)c1ccccc1 1844336818 NHELBQPYKFYQFW-RUZDIDTESA-N 494.676 5.069 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C3)c1Cl 1844736661 YYZABQWRSQCAEN-UHFFFAOYSA-N 482.289 5.015 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccccc2CC)cc1 10174276 BSSDYVTVAKBFBJ-UHFFFAOYSA-O 458.434 6.457 30 20 JKED O=C(/C(=C(/S)Nc1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F 10760479 CEWPMRROMQOAIC-UHFFFAOYSA-O 475.943 5.975 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(CC)cc2)c1C 10833075 JCTOPYONPLQGNK-UHFFFAOYSA-O 485.029 5.362 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1cccc2ccccc12 11125571 ROLVXPGJGIIPAN-UHFFFAOYSA-O 456.547 5.649 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11170350 PXJDNKGQSUZVQT-UHFFFAOYSA-O 483.632 6.680 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)c1C 11170907 ZQAOIOTUECPVIQ-UHFFFAOYSA-O 482.601 5.193 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)s2)cc1 14621513 WBWZMSDDGUTGSM-OAQYLSRUSA-N 474.636 6.174 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1cccc(C)c1 14871764 LTLORNBNWDHODN-UHFFFAOYSA-O 454.413 5.658 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(c3nnc4ccccn34)CC2)c1=S 16873746 KQDYNNMFBJBVMM-UHFFFAOYSA-N 487.677 5.444 30 20 JKED N#CCSc1ccccc1NC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 21375772 BUPMWKGLESJZFX-UHFFFAOYSA-N 489.167 5.151 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nc2cc(-c3ccccc3)sc2c1=O 21494419 URCZRGOVJTVJEY-UHFFFAOYSA-N 475.639 5.913 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)s1 22730613 RVALUJURGGYMGU-UHFFFAOYSA-O 478.062 6.639 30 20 JKED CC(C)c1ccc(CSc2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)s2)cc1 26093269 QNGDYCJBFRBUAZ-OAHLLOKOSA-N 454.646 5.945 30 20 JKED COc1ccc(CNc2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)s2)cc1 29528836 IQEQZWQVLZLQJI-UHFFFAOYSA-N 488.038 5.160 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)nnc1-c1ccco1 29550702 PRZPGLBBNHUIKK-UHFFFAOYSA-N 487.301 5.236 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)c2)c1 32289842 XPMBFYXOZKDLKM-HHHXNRCGSA-N 461.521 5.247 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2n[nH]c(=S)n2C2CC2)CC1 97551039 GZCCGWYQVCAMPV-UHFFFAOYSA-N 461.616 5.318 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)c(C)n1-c1cc(Cl)cc(Cl)c1 110967050 MNONQMYLFDMNFE-UHFFFAOYSA-N 450.325 5.470 30 20 JKED COc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC(F)F 115379469 HLJJVDIDWPUVFG-UHFFFAOYSA-N 474.260 5.495 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccc(Cl)cc1Br 195715049 MEKNCUPZKAVTPO-UHFFFAOYSA-N 486.753 5.878 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OCC(C)C)cc2)cs1)c1ccc(F)cc1F 206338661 ZWSSADRHIDSJOL-XFFZJAGNSA-N 456.514 6.037 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(Br)ccc3N3CCOCC3)c2)cc1 481997721 KDIHLALNNFYJHF-UHFFFAOYSA-N 478.346 5.202 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 490082879 CQRDWPHAHHZBRF-DEOSSOPVSA-N 473.539 5.103 30 20 JKED N#C[C@@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2ccccc2n1C(F)F 501317981 YHHIDFYRBBSQSP-ZDUSSCGKSA-N 452.852 5.033 30 20 JKED N#Cc1c(CCCNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)nn(-c2ccccc2)c1N 504145654 JXYPGOUFVOKMAY-RUZDIDTESA-N 484.991 5.001 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(CCC#N)Cc1ccccn1 505201356 RDYWSCFRIHXETK-KRWDZBQOSA-N 489.626 5.023 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)N2CCCC2)cc1 509899669 OQMIKGSWOOHLHX-NDEPHWFRSA-N 484.600 5.299 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1Cl 510024130 QCYSXGCSMDHILM-RUZDIDTESA-N 474.992 5.149 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)s2)cc1 510228966 GBMLLNNWFZCUSM-SFHVURJKSA-N 455.996 5.628 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 510253332 HCSAIXPWIIYTQR-UHFFFAOYSA-N 467.550 5.903 30 20 JKED Cc1ccc(-n2nnc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2C)cc1 512197105 RXRMZAZFKLLHIZ-HSZRJFAPSA-N 455.949 5.374 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Cl)ccc1I 515282672 JZFKGNASAHBYNF-UHFFFAOYSA-N 489.700 5.564 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)N3CCc4sccc4C3)cc2Cl)cc1 515708738 CEIMAPMKNJSMLX-UHFFFAOYSA-N 465.962 5.369 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 517524041 ISMQSASHJCUTQY-KBMIEXCESA-N 459.619 5.149 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 518249687 XEFWBYPIJHBDDU-IQGLISFBSA-N 489.666 5.865 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1 518588541 OCVHUUYQGIVJFB-DEOSSOPVSA-N 487.968 5.910 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 518664942 ZMRATGDMCYPCEV-MRXNPFEDSA-N 460.584 5.158 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c1 519182122 FJSBMVXBFQPTGP-UHFFFAOYSA-N 474.948 5.539 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2csc(-c3ccccc3)n2)c1 520693296 HVXQPTZRLCUZBW-UHFFFAOYSA-N 484.606 5.343 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(-c2nc3ccc(OCC)cc3s2)cc1 521119107 LAPLXVGYMUVGMH-UHFFFAOYSA-N 496.592 5.387 30 20 JKED C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 521860723 ILKSZRKRJLRVPB-LJQANCHMSA-N 457.530 5.203 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCc1nc(O)c2ccccc2n1 524389734 ZGLDAWCOJABTDN-UHFFFAOYSA-N 452.514 5.056 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CN3CCCN(C)CC3)c2C#N)C(C)(C)C1 551109679 SALYMEFATJDZMM-SREVYHEPSA-N 480.703 5.344 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCc2ccccc2COc2ccccc2)n1 589490026 AVHMCKKREAQZBJ-UHFFFAOYSA-N 471.504 5.268 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4cccc(Cl)c4)o3)c2C#N)C1 589944704 DAQHKQZEEPOWOR-GFCCVEGCSA-N 458.996 5.569 30 20 JKED CN1CCN([C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2cccs2)CC1 603746852 BXNYTPFZHZKUOQ-LADGPHEKSA-N 494.064 5.167 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 604461479 ODBXXBOJHZEOGN-FQEVSTJZSA-N 476.527 5.258 30 20 JKED CC(C)(C)c1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604508002 CEWGGEDAIDLVIS-HSZRJFAPSA-N 459.977 5.548 30 20 JKED CC(C)(C)OCc1cccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 608798125 WVNCMMWIHYLAKZ-DEOSSOPVSA-N 490.003 5.565 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1Cl 609206700 QUSPJJZHRUZRAA-XMMPIXPASA-N 497.002 6.192 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 609406310 LYYLHISRIYZBMR-LJQANCHMSA-N 463.647 5.412 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(S(=O)(=O)N4CCCC[C@@H]4C)c3)n2)cc1 613317965 AMUZHTYCTARDTM-PGRDOPGGSA-N 479.627 5.172 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 613319870 NTKWXDSJPAXDME-QGZVFWFLSA-N 490.013 6.272 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc2cc(C(F)(F)F)ccc2s1 613403604 FDIDDEYIMQYZSB-OAHLLOKOSA-N 471.485 6.119 30 20 JKED O=C(c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618826015 VUOBCTXRENCUEI-CALCHBBNSA-N 485.403 5.881 30 20 JKED COc1ccc(C)cc1-n1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 620379639 IQVNNXMEUMTVHG-CQSZACIVSA-N 456.449 5.308 30 20 JKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc2c(c1)nc(O)n2CC(F)(F)F 622485684 VHGFVCKNHDTYIU-AWEZNQCLSA-N 485.306 5.356 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCSc3c(F)cccc32)nnc1-c1ccc(Cl)cc1 680815286 SDOWDACJRHMWSA-SFHVURJKSA-N 475.014 5.369 30 20 JKED C=CCN(C(=O)CCc1ccc(Cl)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 684073525 IDUGYWCQCFTYEG-UHFFFAOYSA-N 461.008 5.019 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/CCc1ccccn1 726113592 ZEGGDLFIZGKFKG-VKWSUVGGSA-N 479.433 5.060 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1oc2ccccc2c1CSc1ncccn1 726321707 OGSZNFUOWNBOQA-KRWDZBQOSA-N 497.363 5.783 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)N1C1CC1)c1cccs1 726418797 FRONCVVVWCIPAX-OECXVZBCSA-N 481.615 5.615 30 20 JKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccc(COc4ccccc4C#N)o3)ccc21 726508428 HRWHALMRLOTYJZ-UHFFFAOYSA-N 459.502 5.280 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cc(Cl)ccc1Cl 726572157 VFKXIKCVMOGTSO-UHFFFAOYSA-O 489.835 6.692 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ncon3)cc2)ccc1Cl 726931195 XULWESQPRALGHK-UHFFFAOYSA-N 494.960 5.024 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccsc2)cc1 728422250 FXWGVKCOLYIEPX-NRFANRHFSA-N 460.584 5.089 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCCCC#N)C1=O 728777306 KBPCEZOOUNNEPH-HXUWFJFHSA-N 454.983 5.303 30 20 JKED CCCCCCCCc1nnc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)s1 729548011 RVIQUTBWUVWUSX-UHFFFAOYSA-N 469.615 5.298 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccccc1 729769470 QZXMDTBPAOSGDW-VWLOTQADSA-N 453.498 5.100 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 729888064 BUDNZTJAWZMYGP-DEOSSOPVSA-N 491.503 5.331 30 20 JKED CC(=O)Nc1ccc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730435934 HJBJIRWQTIFFPP-QINSGFPZSA-N 453.361 5.744 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O)Nc1cccc(Cl)c1Cl 730461643 QSMHBOXSSFCUMW-QGZVFWFLSA-N 484.355 5.784 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N([C@@H](c2ccccc2)C2CCC2)C1=O)Nc1cnccn1 730709274 QTLALHXNMZTUOH-QPPBQGQZSA-N 489.576 5.117 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O 730717615 PSSQPBGSCSRIBO-OAQYLSRUSA-N 498.992 5.277 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3cccnc3)C2=O)c1 730943281 BHAPGTQSSKNPPP-AOMKIAJQSA-N 495.004 5.465 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)o1 731069173 LVMIHOZMIIRJAL-ZDUSSCGKSA-N 455.561 5.067 30 20 JKED COc1ccc2cc(/C=C\C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2c1 731070837 UGUXSJHGGVDFBJ-XSZJWBAASA-N 460.555 5.438 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 731114016 CAMKRMRIDRXMOA-SBHAEUEKSA-N 472.655 5.582 30 20 JKED C[C@@H](Cc1ccccc1Cl)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 731125072 WUXBCLVWTQBGPP-ZDUSSCGKSA-N 469.916 5.050 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1)c1cccs1 731312692 QVDJRRBTJZYEAQ-NDKFBNENSA-N 465.600 5.044 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccccc2C(F)(F)F)C1=O 745581922 ZOGWXEAEVIKDKS-INIZCTEOSA-N 490.334 5.280 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 748168365 RSFANXZJAXLIJV-UHFFFAOYSA-N 489.757 5.296 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)cc1 749339108 ZDKADTITYOTCMF-MGPUTAFESA-N 454.452 5.366 30 20 JKED CCCC1C/C(=C/c2cnc3c(c2)c(C)nn3C)C(=O)/C(=C/c2cnc3c(c2)c(C)nn3C)C1 750897115 WSTXCQHVIUBIFH-PANSPLHPSA-N 454.578 5.113 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 837786733 DVWABMHHAKFQSJ-VFNWGFHPSA-N 482.968 5.596 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 838088983 IEVBWICKXHEEMY-MBSDFSHPSA-N 474.586 5.202 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 838277476 NLKCKNBPFHBSMT-WZONZLPQSA-N 458.587 5.366 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 904403644 ZGXRJPVZJFYMKW-UHFFFAOYSA-N 494.729 5.019 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)Cc2ccco2)c1 914690714 CNGUVHBCOJDZED-KSFYIVLOSA-N 481.549 5.019 30 20 JKED N#CC(CCOC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)(c1ccccc1)c1ccccc1 915025357 YQVWLQWQLZAHGB-UHFFFAOYSA-N 480.608 5.301 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 915086103 RMMOOSJFPPTMPG-OAQYLSRUSA-N 460.946 5.776 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc([C@H](C#N)c5ccccc5)cc4)nc(O)c23)C1 915087558 VHIXGSXWBWNTPU-HTAPYJJXSA-N 482.609 5.748 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1 915102662 CKCMXRPMLDHPSA-GDBMZVCRSA-N 464.399 5.622 30 20 JKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102859 JKPJOHVQNAMJTB-UGSOOPFHSA-N 468.365 5.808 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1cccc2ccccc12 916205527 PHYHPIORSSEFMP-XMMPIXPASA-N 466.566 5.395 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(Br)s2)cc1 916320676 GESGZXROCPITEQ-UHFFFAOYSA-N 451.415 5.150 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc(OC)cc1)c1ccc2c(c1)OCCO2 916548015 JEAIDWUALVBXBN-UHFFFAOYSA-N 462.571 5.435 30 20 JKED Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)sc21 916847882 XICKQUNCZLJJDY-OAHLLOKOSA-N 458.568 5.472 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 916888011 SHQQYVAUMJDUDJ-IBGZPJMESA-N 480.540 5.552 30 20 JKED Cc1nc(-c2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907210 XCWOZWBBWAFFKZ-FQEVSTJZSA-N 453.523 5.872 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907812 XRVRIUBQOWXHPE-JTSKRJEESA-N 473.554 5.265 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1Cl 916907893 CNSAASKCHALPOX-GJBLVYBDSA-N 460.761 5.738 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 916908433 PVJSDJNWOBUJIR-AHWVRZQESA-N 464.569 5.466 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2cccc(Cl)c2)n1 916944449 DTKVVQUNGDQXPK-OAHLLOKOSA-N 450.734 5.731 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccc([C@@H](C)CC)cc3)cs2)cc1 916948604 ICOUVRQFKWXVJW-GAJHUEQPSA-N 461.587 5.612 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1)c1ccc(Br)cc1 916974150 FGUKFTTYIFMUPI-PMACEKPBSA-N 482.403 5.325 30 20 JKED COc1ccc(Cl)cc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995305 DRCMQMQJVFRFGD-OAHLLOKOSA-N 451.762 6.198 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995791 HQMMEJGZDOMRKY-INIZCTEOSA-N 463.773 6.610 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2n1C(F)F 917040298 KMTXWKBDPLLSKZ-SOGBHIHOSA-N 453.901 6.703 30 20 JKED N#C[C@@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 917042133 BUZSGYKHWSRXHE-NSHDSACASA-N 482.459 5.856 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cnc(-c2ccccc2)nc1)C(=O)c1ccccc1 917143415 JYLZAJIOSDJQDN-ITYLOYPMSA-N 461.565 6.173 30 20 JKED CCOc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3CC)=C2C)cc1 917377188 AZKMVUDJMNLIRC-HHHXNRCGSA-N 496.636 5.868 30 20 JKED O=C1/C(=C\c2csc([N+](=O)[O-])c2)CC2(C/C1=C/c1csc([N+](=O)[O-])c1)C(=O)Nc1ccccc12 917517799 KXCWJYYUURBYES-KNBRTIFXSA-N 493.522 5.346 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cccc(OCc3ccccc3)c2)cs1 917559828 CYMLLVQKEGDJBH-DTQAZKPQSA-N 468.578 6.611 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cc3ccccc3o2)C1=O)NC1CC1 917656925 QYLNDZZNQXEHIF-FQEVSTJZSA-N 487.503 5.252 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C(C)C)cc1 917667066 CASBDFWVGJUWDR-NRFANRHFSA-N 475.561 5.085 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnn1-c1cccc(Br)c1 917668562 BUWGBLYDXIPWEI-QFIPXVFZSA-N 472.346 5.246 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)SC2=Nc2ccccc2)n1 917673255 WDSMHBRUEMTNQM-NRFANRHFSA-N 482.968 5.343 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2)n1 917673412 DASMIXZOSXFQOS-QFIPXVFZSA-N 479.005 5.512 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2)n1 917673709 FZTVRYMWBZHMAP-RUZDIDTESA-N 480.593 5.704 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 917699337 BHOQHMGJHHLIJI-FNZWTVRRSA-N 494.620 5.634 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C#N 917701764 BLOZUDCYRZVCMG-KRWDZBQOSA-N 461.374 5.235 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(C)cc2C)C1=O 917703832 RGYYRDGBWDUXPG-RUZDIDTESA-N 498.608 5.344 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)cc1 918128028 QMKHENPXZUMCSG-RUZDIDTESA-N 478.577 5.381 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2csc(COc3ccc(Cl)cc3)n2)cc1 918711745 YTXWELYZFVHIKH-UHFFFAOYSA-N 476.414 5.795 30 20 JKED FC(F)(F)c1cc(Cl)c2nn(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(=S)n2c1 918736791 YIJDJYRHOBPYES-OCAPTIKFSA-N 486.791 5.558 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(NC(=O)c4ccccc4F)n3)n2)cc1 920141661 GNSOOPITIHOXGD-SFHVURJKSA-N 492.557 5.086 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N([C@H](C)c2ccc(C)s2)C1=O 920170490 ZXVZTSWBRQNIKS-PBHICJAKSA-N 450.029 5.156 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1 920235319 QZIJOHNCGOHWFA-DEOSSOPVSA-N 452.489 5.990 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806427 LBDQHDDZYHZIPW-WFASDCNBSA-N 475.517 5.164 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(N=Cc3c(O)ccc4ccccc34)ccc2OC)cc1 920943170 RGVOLIXQJGQZGX-UHFFFAOYSA-N 462.527 5.114 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)cc1C 921253924 RMJKOSZGHSUIHS-FXAWDEMLSA-N 493.551 5.231 30 20 JKED COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)c1ccccc1OCC#N 921284686 XVBPERMFPJKRKK-UHFFFAOYSA-N 454.404 5.314 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CC(C)C)cc2)C1 1781084187 TYJYOHQDWVXMCR-UFHPHHKVSA-N 454.655 5.005 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C1 1783063230 HQUCKWXEAPWYHQ-WPSZSDGUSA-N 499.866 5.543 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)cc2)CCC1 1785798100 ITVIPANQQSUAIC-DXIQSLLYSA-N 469.626 5.121 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1 1785909026 FKKWNMYZXPYNER-FQEVSTJZSA-N 491.579 5.025 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1 1786679078 AMZPGXYYMAPXIK-UHFFFAOYSA-N 485.609 5.228 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)ccc1F 1787075570 RKMYELYMIFBVKB-KRWDZBQOSA-N 456.521 5.218 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)cc2)CCC1 1787726140 WREOQLRWBKUYJW-UHFFFAOYSA-N 459.373 5.310 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CC4CCOCC4)cc3)CCC2)cc(C(F)(F)F)c1 1787922546 ISSOQSNACWHFHE-UHFFFAOYSA-N 485.506 5.141 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)CC[C@H]3CNc4ccccc4C3)cc2)CCC1 1788066243 DHBISLMHYMYSAH-CLOONOSVSA-N 465.663 5.140 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CCc3cnc4[nH]ccc4c3)CCC2)cc1 1788650032 QYLKSPPZRJVKBB-PKNBQFBNSA-N 498.608 5.130 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3sc(Br)nc3C)cc2)CCC1 1788871410 JIXIBUOTTBPKQU-UHFFFAOYSA-N 484.366 5.173 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1789577917 WCXBPUNVIZTSIX-RAMKZGJGSA-N 475.976 5.290 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ccccc5)nc4)CCC3)cc2)c1 1790147148 MHDGVSHGFLKJGS-UHFFFAOYSA-N 461.525 5.010 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1790511531 PTBOJZROWAVHFU-DHIUTWEWSA-N 480.992 5.087 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4sc(C)nc4c3)CCC2)cc1 1790568592 VVYLOWUEKFWKLZ-INIZCTEOSA-N 464.591 5.153 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790959020 DZAADJXDLWKVJS-DRQPSCMVSA-N 494.979 5.098 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3c(Cl)cccc13)C2)c1ccccc1 1798557070 UXFBZSVXKGSGNV-LRSLUSHPSA-N 474.004 5.270 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)nc1)c1ccccc1 1799049527 NRAYKTCCRHBGMH-PUHABZHSSA-N 477.608 5.198 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1 1802489960 CLJYEWBSVSYXJW-REWPJTCUSA-N 450.627 5.019 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1802500292 LZBWIEJHNNFJBM-UKILVPOCSA-N 477.649 5.571 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1803088129 HMEJIYZYCYSJCP-MTMIEEBDSA-N 475.658 5.470 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1803091690 QARIQSKMKXIRKC-YIXXDRMTSA-N 491.607 5.098 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1803091920 SPTGGFMWCGXFEN-WIOPSUGQSA-N 480.678 5.359 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCCc4ccccc4F)C3)CC2)c1 1805497105 QOMBYDFIFSNGNH-QFIPXVFZSA-N 475.608 5.320 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809443669 UUMLOCQLCCQNQM-WZOHSFFVSA-N 494.060 6.038 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccs2)[C@@H]1c1cccnc1)c1ccccc1 1810443598 HYGDMSKKJAZYHT-KHIIWQGESA-N 483.637 5.060 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811115673 DISZJABKJDJWOT-GAJHUEQPSA-N 497.357 5.033 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1811689588 LMMLSWLAAVRNHZ-ATIYNZHBSA-N 498.652 5.243 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1811850802 UUZQRMIRCFVVEG-IXCJQBJRSA-N 487.720 5.330 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1811943984 JRSJZTZAQMKINK-IGKIAQTJSA-N 474.649 5.578 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1)C(F)(F)F 1811997873 KOJLBBBYFFQUQD-HNAYVOBHSA-N 486.321 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1812473244 ZRJIJPYJSFCLLX-ZWSUVBHBSA-N 465.613 5.098 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1812674839 DISRQBGXWARULD-IFXJQAMLSA-N 486.321 5.059 30 20 JKED Cc1cc(C)cc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1813869990 WBGULNAQFGFMSF-ZSNHWWIQSA-N 494.639 5.278 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)[nH]n1 1814445187 CGHAMJDTSQOKIG-OAQYLSRUSA-N 460.582 5.098 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)s1 1814499146 SRJICYIMJAHLIE-OAQYLSRUSA-N 490.633 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)cc2F)n[nH]1 1814614758 XNTKZSIQZIJXAG-UZLBHIALSA-N 489.389 5.386 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1815215140 FXAIOWXURILBJF-KKSFZXQISA-N 496.995 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)[nH]n1 1819554189 JTCMSWMXQSLRCF-SFHVURJKSA-N 463.504 5.122 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)cc(Cl)n3)n[nH]2)c1 1819969459 IDKTUSPMBLRSFH-XOBRGWDASA-N 497.386 5.358 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1 1820976964 RRPRWNFNSVWZHK-FOIQADDNSA-N 494.423 5.142 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)CCC1 1821280034 NKHMGBDIYOFHCI-FQEVSTJZSA-N 453.974 5.067 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821925863 AQARXUZKWZBXIL-KUHUBIRLSA-N 466.479 5.015 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1 1821988101 KYBHFKWMUBQCID-FQEVSTJZSA-N 476.593 5.245 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)CC1 1822102800 DPXZCOWJHPRQQW-DKDOCFCCSA-N 482.650 5.365 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCCCC(C)(C)C)n[nH]2)c(C#N)c1 1822116453 ZWNLUHWIHKTTKF-XMMPIXPASA-N 493.652 5.521 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc(F)cc(OC)c2)n[nH]1 1822269656 FMYAKASJKHZRMO-RGPPVUSESA-N 466.557 5.031 30 20 JKED C[C@H](Cc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1822592066 SKQIUCBWCHARKL-OHUGHZGNSA-N 469.589 5.221 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)[nH]n2)c1 1823211187 LIVYLIGHUCXMRY-HJPURHCSSA-N 493.970 5.378 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 1823753996 UXJNUBHVWFQEEP-OAQYLSRUSA-N 469.651 5.629 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c(Cl)c1 1823939201 VHZPCGWGHYDIMF-HSZRJFAPSA-N 488.390 5.551 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1)C(F)(F)F 1824242940 PCZPPHWMHXBWOI-FGZHOGPDSA-N 450.545 5.164 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1824271957 BIZMJYIHJFHBIN-CCLHPLFOSA-N 474.649 5.125 30 20 JKED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824490335 BRSOVZFBLBMARO-VXGAEGAXSA-N 499.095 5.272 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1824514632 SRXGMSQOLCPGRH-QDPGVEIFSA-N 476.661 5.292 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1 1824962970 UFQYYDQPSATNKL-QRBZPYHOSA-N 497.524 5.063 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1825219343 QBDHZULKEVEWAS-RPWUZVMVSA-N 491.598 5.421 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825436818 JIZPBHQTNOXUJR-RXFWQSSRSA-N 463.622 5.136 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1828829155 YVKIJPWTGUDFID-PYTLXRGNSA-N 460.618 5.834 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1828905118 IAKLMSRGWIMGQW-ZVQQDINOSA-N 498.765 5.158 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1)c1ccccc1 1829034772 CJDVNOGEYKNRQW-VMPREFPWSA-N 499.655 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829069113 KTVBYWMWADHQSY-NRFANRHFSA-N 465.560 5.326 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829069148 LZHBKKYUYVDYEG-QFIPXVFZSA-N 456.030 5.437 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cn2)CC1)c1ccccc1 1829223069 LZQJNMKPQCMHAR-AOYPEHQESA-N 478.036 5.166 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2Br)CC1 1829345425 WCURWNIKPNJKHN-HXUWFJFHSA-N 476.459 5.070 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c1Cl 1829447291 UXEHCBPTRKSTHU-IBGZPJMESA-N 476.429 5.474 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830632102 YEDGQPUCGBVYTK-SANMLTNESA-N 489.685 5.395 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2OC)CC1 1830659756 AXKFROXDTLBCII-OAQYLSRUSA-N 462.581 5.199 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 1830719130 XXEYFUQNFYKITM-QFIPXVFZSA-N 471.935 5.037 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806849 OUBZWBURYYORLD-XDHUDOTRSA-N 472.601 5.183 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2s1 1830894492 XEXSMRHJWXLSRW-BVZFJXPGSA-N 488.657 5.712 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1831377747 LDORDNFSZHDAQC-YADARESESA-N 456.602 5.060 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1832030496 NUKUTSUPEOKTMR-DEOSSOPVSA-N 498.465 5.357 30 20 JKED Cc1c(F)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832630029 XODWUYURCCYDKY-AFMDSPMNSA-N 461.581 5.308 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c1 1832632545 SRXMARQGVHJDOW-UQBPGWFLSA-N 486.641 5.470 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccs3)CC2)c1 1832635122 VARJHVDMHCQEMK-CJFMBICVSA-N 463.647 5.241 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832635930 ZBHQZEGINCQRNZ-AFMDSPMNSA-N 494.035 5.523 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)S)CC2)c2ccccc12 1832998342 JTQHHKDTUSSWDS-CPJSRVTESA-N 452.664 5.019 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)CC1 1835485998 JSSQZALEDBWJAN-HDYLNDSGSA-N 471.730 5.157 30 20 JKED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)C2)cc(C(F)(F)F)c1 1843939447 YSCVGJOMQNYFTI-BVYCBKJFSA-N 473.539 5.001 30 20 JKED O=C(CCCCCCCCCc1ccccc1)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315974 WRMCGYSXNUUSRE-MWAVMZGNSA-N 477.649 5.265 30 20 JKED C=CCN(CC=C)C(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 8803923 NQPLNLATRIULPS-UHFFFAOYSA-N 476.989 5.898 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10754654 ZWHJOGVKIKWMKM-UHFFFAOYSA-O 486.976 6.023 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)nnc1-c1ccoc1C 14063813 RGTVODHOFUMNDL-UHFFFAOYSA-N 465.604 5.504 30 20 JKED C=CCn1c(SCC(=O)NC2(C#N)CCCCC2)nc2sc(-c3ccccc3)c(C)c2c1=O 17131789 PYJGDYRMGOKXSX-UHFFFAOYSA-N 478.643 5.054 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nnc1-c1ccc(OC)cc1 22012001 OZBZICKXEFVMOS-UHFFFAOYSA-N 482.915 5.543 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1 26198903 KDDAYOYPRBMELC-UHFFFAOYSA-N 497.399 5.470 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21 26732080 KOADJYUQIKETOB-QGZVFWFLSA-N 469.522 5.625 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1Cl 71907193 JFHPXMMHLRSFRT-QFIPXVFZSA-N 457.917 5.010 30 20 JKED C=CCN(C(=O)/C=C\c1nc2ccccc2s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 96858882 AOTQBQJAMHLRBE-SEYXRHQNSA-N 481.624 5.056 30 20 JKED C[C@H](Cc1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)o1)c1ccccc1 105388698 WDPLDZXUBKZBOT-VQIMIIECSA-N 460.584 5.508 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@](C)(C#N)C(C)C)c1 302222141 MYFDKINKVRWCHM-JOCHJYFZSA-N 480.417 5.043 30 20 JKED N#Cc1ccc(CSCC(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 302924865 BZGDDNDKABLLRR-HXUWFJFHSA-N 462.402 5.118 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cc2Cl)c1 303138488 DEUYHRLWZLMXMK-UHFFFAOYSA-N 475.907 6.156 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc(-c4cccs4)no3)cc2Cl)c1 303218283 UHFIWHSHQNYEND-UHFFFAOYSA-N 464.934 5.473 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)c2)cc1 485946716 XTMPSYVSIQIQHO-UHFFFAOYSA-N 494.016 5.537 30 20 JKED CCOc1ccc([C@H](CNC(=O)NCc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1OC 500216981 GVRCTPKTGLGCCD-QHCPKHFHSA-N 468.557 5.078 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCc2ccc(Cl)cc2)cc1Cl 506402119 AWIFSZUGHAYERF-JOCHJYFZSA-N 466.368 5.336 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)cc1 509208111 DALYQAKUWYQZFH-GOSISDBHSA-N 460.397 5.066 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 509675570 NFPRHVNPVDEFHS-UHFFFAOYSA-N 494.576 6.074 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)c2)cc1 509889052 DGEZXQJJTSVWOM-UHFFFAOYSA-N 496.398 5.388 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1Cl 510055050 KVCQWPXANRAQSH-DEOSSOPVSA-N 467.960 5.771 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 510856904 MEJZOUAFOJZTHJ-UHFFFAOYSA-N 469.541 5.794 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccccc4COc4ccc(CC#N)cc4)CC3)c2c1 511438569 MOARLOBDSAZWRG-UHFFFAOYSA-N 492.579 6.143 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc(O)c2c3c(sc2n1)CCCC3 513659771 HKSCQFVHIVYLIX-OAHLLOKOSA-N 489.578 5.265 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 514503656 PFGUWFWIUJSXDY-UHFFFAOYSA-N 452.436 5.493 30 20 JKED C=CCn1c(SCC(=O)NC2(C#N)CCCCC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 514588324 AXUHWLQFYFSXQB-UHFFFAOYSA-N 496.633 5.193 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1Cl 514897859 BKZYPOJIRLUIBP-UHFFFAOYSA-N 463.950 5.232 30 20 JKED N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1nc2ccccc2n1C(F)F 515539407 RFLYISDHPMFLGD-SFHVURJKSA-N 457.436 6.247 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 515542724 ZWDRTZVJAGJBHC-GOSISDBHSA-N 461.543 6.062 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1Cl 515962558 QWNRVFKDSBFYRZ-OFNKIYASSA-N 494.016 5.203 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(c2cc(Cl)ccc2OC)CCOCC1 516315085 KQDHZDRWPBZNKF-UHFFFAOYSA-N 469.434 5.510 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1 516524689 GCCZBWMFMYERBA-UHFFFAOYSA-N 495.604 6.367 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 516714107 PZIGAWLJGWESGD-FQEVSTJZSA-N 482.613 6.103 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)n1 516789076 HDNWZWBGURNCKV-IBGZPJMESA-N 457.511 5.440 30 20 JKED C=CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c(OC)c1 517359062 MFIJCYXABHESJV-IBGZPJMESA-N 459.546 5.324 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 518660758 AAFUKVJWJLQNKI-LPHOPBHVSA-N 466.657 5.851 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)c2)cc1 519125362 HIWXOCKYDBYJPS-UHFFFAOYSA-N 493.485 5.860 30 20 JKED C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)Nc1ccccc1S[C@H](C)CC#N 520197311 CFRDORRKQQMWET-ARGWCVDVSA-N 476.465 6.448 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)Cc1cccc(C#N)c1 520459435 FKOTZLPOYNRVJO-UHFFFAOYSA-N 466.463 5.802 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 520832442 KAANKNKDVWAXCP-STQMWFEESA-N 452.458 5.304 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 520834320 YXKFLQZFVXFDHZ-OAHLLOKOSA-N 458.008 6.261 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1)c1ccccc1 521475149 SDKYINOKMLARJL-AREMUKBSSA-N 479.967 6.524 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cc1C 521729186 FIBFFEFUARMLRB-KRWDZBQOSA-N 479.627 5.608 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(OCc2cccnc2)cc1 522337330 LLXFJDJTFRIYLD-QFIPXVFZSA-N 494.570 6.144 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 523228244 PMSBETWWFHLGJL-UHFFFAOYSA-N 487.947 5.621 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2)n1 524385977 DJNRRYBEHLIFAC-UHFFFAOYSA-N 456.527 5.373 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)o2)cc1 524388692 TWTQKJZBPGEVQO-UHFFFAOYSA-N 486.553 5.235 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)o2)cc1 603590290 GJUMHHFHFZYJJC-UHFFFAOYSA-N 479.540 5.017 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 603649752 NSZNPWRKIBTGCQ-UHFFFAOYSA-N 470.558 5.054 30 20 JKED CC(C)OCc1ccc(CNC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1 603904827 XBPCUPVNSBYOHH-UHFFFAOYSA-N 461.587 5.035 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 604003671 RRKDNQKXEOLPRT-UHFFFAOYSA-N 473.532 5.438 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc2ccccc2[nH]1 604131657 UFKMXSGFZIYGHV-HSZRJFAPSA-N 487.947 5.332 30 20 JKED Cc1ccc(C(C)C)c(Oc2ccc(CNC3CCN(c4ccc(C#N)cn4)CC3)cc2[N+](=O)[O-])c1 608982981 QTSYDCGSEKLTKG-UHFFFAOYSA-N 485.588 5.844 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1Cl 608994348 KPGHZSVQQDRWPZ-LADGPHEKSA-N 473.960 6.136 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)cn2)cc1 608995031 XRFWXFBJSXKRQV-NRFANRHFSA-N 469.328 5.658 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609086693 UQHABPWJBCWBBZ-DEOSSOPVSA-N 489.959 5.101 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)c3ccco3)cc2F)c1 609110674 OMGSDRHTBBOKMQ-RUZDIDTESA-N 495.510 5.075 30 20 JKED CC(C)Sc1ccc(Cl)cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609183539 XBMSJDNPBKUVQP-UHFFFAOYSA-N 470.982 5.815 30 20 JKED C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609200283 RMPDOQXDLXSOMM-NYHFZMIOSA-N 486.435 5.357 30 20 JKED CC(C)(C)c1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n(Cc2ccccc2)n1 609205675 PSAKYEHMKWXSEV-UHFFFAOYSA-N 457.578 5.176 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C 609214059 OVXOLLFNXWQBDG-YCRPNKLZSA-N 458.425 5.724 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)cc2)c1 609426916 ZJXDZFCOHGFNAT-JOCHJYFZSA-N 477.467 5.195 30 20 JKED C=CCN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 611778007 YQJUDGKESHLIQN-HOTGVXAUSA-N 472.554 5.101 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)n2)cc1 613314268 HTXNNZWXKAYPOV-LJQANCHMSA-N 467.554 6.194 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1 613344322 GLBMOAQHIZXPMT-GOSISDBHSA-N 494.359 6.651 30 20 JKED Cc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1-c1ccc(F)cc1 613346127 DXWGRHZVZSMIAQ-INIZCTEOSA-N 472.332 5.635 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc12 618297883 NJFJPWMGWOKSSC-KBPBESRZSA-N 493.448 5.797 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\CCc3ccccn3)N(Cc3ccc(C)s3)C2=O)c1 726107801 IELSYFAAQQMMGE-WNMDNWPKSA-N 492.670 5.140 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 726572450 FZHDQWCCIBLDRH-UHFFFAOYSA-O 482.028 6.523 30 20 JKED COc1cc(C(=O)N(CCC#N)c2ccc(C)cc2)ccc1OCc1ccc(Br)s1 726940696 PCIGMISNTGYJGV-UHFFFAOYSA-N 485.403 5.967 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3[nH]ccc23)c1 726946411 LGIDOBHKCJBLFI-UHFFFAOYSA-N 495.988 5.464 30 20 JKED Cc1cc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c(C)n1-c1ccc(C#N)cc1 728267788 CNPMVXHGOSZLMM-HXUWFJFHSA-N 450.542 5.431 30 20 JKED N#Cc1ccc(SCC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 728675854 VTVAXHOLYVJTHC-JOCHJYFZSA-N 481.917 5.135 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 728705473 XCZWOOXYTKETNR-UHFFFAOYSA-N 483.877 5.836 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)cc1 729146375 RKLHJIOTNIVNRK-HXUWFJFHSA-N 482.606 5.314 30 20 JKED COc1ccccc1[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nccn1C 729571513 WRUSBXZTHOJGHF-DEOSSOPVSA-N 453.502 5.004 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)c1 729634748 SEAVSPIXIXGTBW-QHCPKHFHSA-N 476.577 5.252 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1Cc1ccco1 730526646 UFFFTWHTKQCFAZ-QHCPKHFHSA-N 493.585 5.020 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2ccccc2)C1=O 730538283 XPUUHSHTRKJFEH-HSZRJFAPSA-N 477.561 5.303 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944253 UUNLSJYBTNPTCU-HTAPYJJXSA-N 479.005 5.765 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCOC(C)(C)C)c1 746695451 GJGIMVOHQWCGML-HXUWFJFHSA-N 475.561 5.049 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 746697793 MEGAUXVAWZVBBE-HXUWFJFHSA-N 459.999 5.117 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCc2nccs2)C1=O)Nc1cccc(Cl)c1 747603829 YKTWOSHXNOXESD-GOSISDBHSA-N 488.997 5.139 30 20 JKED N#CCN(Cn1nc(CSc2nc3ccccc3s2)n(-c2ccccc2)c1=S)C1CC1 747789412 RLASDOUSDQCWBH-UHFFFAOYSA-N 464.645 5.251 30 20 JKED C=CCN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)Cc1cc(Br)ccc1F 749251426 XQWZYNPZOSQLJL-INIZCTEOSA-N 458.356 5.062 30 20 JKED Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1N1CCSCC1 749869369 XMQWSTFWJGKVGM-UHFFFAOYSA-N 459.640 5.965 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 750390763 BMEAGZIMTNJOBV-NRFANRHFSA-N 463.522 5.110 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2cc(F)ccc2F)ccc1Cl 750552892 MAPPCMOZGGUVFJ-UHFFFAOYSA-N 476.932 5.276 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 750705628 YQJWOHCWINLRGT-AREMUKBSSA-N 457.530 5.337 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(CC(F)(F)F)C2=O)cc1 799214586 DAACWWLGWBYTSU-IBGZPJMESA-N 479.524 5.306 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(F)F)cc1 799217776 WAGDCZMKGDHCQZ-KRWDZBQOSA-N 467.925 5.230 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cccs3)C2=O)cc1OC 837392495 WDYNOUIXPXLBIU-JOCHJYFZSA-N 495.626 5.234 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837468520 PTFDVJOURGNHPW-UZUQRXQVSA-N 494.567 5.698 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccc2F)C1=O 837513855 GZNZAIDICSVOHT-QHCPKHFHSA-N 477.561 5.037 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccccc1C 838482279 KUKXVGLSHWJDIZ-DEOSSOPVSA-N 489.597 5.173 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 912842851 HETCKHRKOHMTAX-BFMBIBTESA-O 478.682 5.637 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H](c2ccccc2)C2CC2)C1=O 914537785 FCWIWUPDCVYPKG-UYAOXDASSA-N 475.586 5.220 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 914549265 ALYVPOSBUJEARW-NTKDMRAZSA-N 472.614 5.043 30 20 JKED N#Cc1ccccc1NC(=S)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 915996608 JKDBXYCJRCZEIF-UHFFFAOYSA-N 477.398 5.475 30 20 JKED COc1cc(C2=N/C(=C/c3cccc(OCc4cccc(C#N)c4)c3)C(=O)O2)ccc1OC(F)F 916031225 BNMOIBRSFOEKQA-CIAFOILYSA-N 476.435 5.092 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2OC)cc1 916127704 UZJPZASKGJURSG-UUILKARUSA-N 467.468 5.286 30 20 JKED CCN1C/C(=C/c2ccc(OC)c(OC(F)F)c2)C(=O)/C(=C/c2ccc(OC)c(OC(F)F)c2)C1 916137817 BGRGDRBJIBHIPQ-BUOZRGFLSA-N 495.469 5.278 30 20 JKED COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(Br)cc1Br 916140417 SPQPXAKYOWZMFI-QPJJXVBHSA-N 456.130 5.134 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCc3ccccn3)C2=O)cc1 916209694 QNTUTEGTNJVRLN-JOCHJYFZSA-N 479.005 5.246 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1ccccc1C(F)(F)F 916210846 JRJLEXGALPIWGA-OAQYLSRUSA-N 498.530 5.303 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(Cl)cc1 916210982 JEMBWALNFCBJTF-FQEVSTJZSA-N 475.998 5.118 30 20 JKED CCCOc1c(Cl)cc(C=NN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1OCC 916283765 RSBOHROZDYEUGR-UHFFFAOYSA-N 481.892 5.219 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2ccccc2Br)c1C 916924959 HNAWSVNGXCKEGS-GOSISDBHSA-N 480.362 5.217 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(Br)ccc1F)C(=O)Nc1ccc(Cl)cc1Cl 916927012 CJNGEXAPJUZIRL-DFICIIQISA-N 456.098 5.256 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 916943248 UBEOMYBXSBQTBP-YADHBBJMSA-N 480.351 5.202 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Cl)c1OCC(C)C 916944834 ODEQTRPEGORWEE-INIZCTEOSA-N 469.752 5.651 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)n2)cc1 916971975 HFRCLWHXKOKPSD-FQEVSTJZSA-N 487.654 5.833 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S 917485408 NXVNFIJGKXLREO-UHFFFAOYSA-N 455.609 5.030 30 20 JKED CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc1OC 917644830 MWZCYQHKLOIPIE-WOJGMQOQSA-N 489.416 5.524 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O)Nc1ccccc1C(F)(F)F 917675704 XCKPFLAFJXPADZ-IBGZPJMESA-N 489.544 5.927 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)cc1 917704398 UAHWDYLIESPLMZ-HSZRJFAPSA-N 454.555 5.027 30 20 JKED CC[S@](=O)c1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 918051147 RGDSLJATITZRRI-MIKNWGHHSA-N 486.659 5.084 30 20 JKED CN1CCC(N(C)c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)CC1 918357070 UMBYJNLTHZFYTI-UHFFFAOYSA-N 470.642 5.633 30 20 JKED CC(C)[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccccc1C(F)(F)F 919513181 DEGUXNQOAQHBSN-QFIPXVFZSA-N 486.446 5.569 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(C)cc2C)o1 920109938 WRKWBZLMWHLHBU-GOSISDBHSA-N 466.921 5.407 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1cccc2ccccc12 920111023 XLEASFGXGAKMTA-MRXNPFEDSA-N 451.960 5.568 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2C)cc1 920140123 CAJXYTHTOSMRPH-HSZRJFAPSA-N 452.539 5.588 30 20 JKED COc1ccc(OCc2nc(/C=C\C(=O)c3nnn(-c4cccc(Cl)c4)c3C)cs2)cc1 920389446 PLIZKHLCYIWNTN-WDZFZDKYSA-N 466.950 5.169 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)cc1 920870936 VOZQAVNKAIVCML-KOSHJBKYSA-N 491.613 5.091 30 20 JKED CCCCN1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)CC#N 1514489256 WFEAASVFPVPMRZ-ICSRJNTNSA-N 459.038 5.000 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785880834 UDVBKGHUFSJMBL-UHFFFAOYSA-N 481.474 5.469 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)CCCOc3cccc(Br)c3)CCC2)cc1 1785933091 HXKDIJHVCNBBQM-UHFFFAOYSA-N 498.421 5.292 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(F)c3Br)CCC2)cc1 1785936020 HNNBGQWQIAQAIS-UHFFFAOYSA-N 476.321 5.025 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)ccc1F 1787074931 MXYHSWNIGCPYBJ-UHFFFAOYSA-N 462.912 5.116 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nc[nH]c45)cc3)CCC2)c1 1788431559 QTMWLGDPLLBPDM-GOSISDBHSA-N 463.541 5.251 30 20 JKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)C#CC5(O)CCCCC5)CCC4)cc3)c2s1 1788945198 ZIDWRRUJGVUIHG-UHFFFAOYSA-N 487.625 5.051 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789074807 SWQJYQYNGOBMRO-UHFFFAOYSA-N 453.995 5.488 30 20 JKED Cc1cccc2cc(C(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)[nH]c12 1789255290 IKCFCNMVISSYPC-UHFFFAOYSA-N 478.552 5.175 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)CCC2)cc1 1789457837 BKMGVBCHLBHJMW-BQEUZBSESA-N 493.648 5.336 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)C34CC(c5ccccc5)(C3)C4)cc2)CCC1 1792380285 HAUARYMHYUGFSJ-RHKGEPBNSA-N 459.590 5.043 30 20 JKED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1F 1796965295 ZGPFKHRHGFUOMM-KOUNCHBCSA-N 491.950 5.105 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1803088729 GCQJVUCXKAVBOZ-XUZZJYLKSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1803092924 NDMAAECTTOCOQI-REWPJTCUSA-N 489.513 5.328 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1803562088 TXIAVJAPNIBWEX-VIZCGCQYSA-N 497.639 5.359 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4c(F)cc(Cl)cc4Cl)CC3)C2)cc1 1804945735 RSIISHBDMGKHSL-UHFFFAOYSA-N 488.390 5.092 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1808741238 RLAQZESGRFWGGF-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)CCC3CCCC3)C2)CC1 1808951323 CVSXDZPXBYWGES-QHCPKHFHSA-N 489.701 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1810169211 WHSWUGCWPSJVTR-GEWUYGHSSA-N 486.591 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1810169212 WHSWUGCWPSJVTR-JBBQQGGESA-N 486.591 5.304 30 20 JKED C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810400693 CZMDNYYZAMAWID-UHFFFAOYSA-N 479.624 5.550 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(C)ccc2F)[C@H]1c1cccnc1)c1ccccc1 1810444726 TYYHIGJAWCWSIH-QQNWGBJXSA-N 483.587 5.046 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1)c1ccccc1 1810446512 OEZZBZABNGQLMY-WRALFONMSA-N 492.044 5.313 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1811140312 FZWDDEBPOFSGJV-WMZHIEFXSA-N 491.941 5.267 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1811714428 CRYSLCPSKORDMB-DNVFCKCGSA-N 472.416 5.476 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)[C@@H]2c2cccnc2)c1 1811924763 QBKBXBUIGPAMPE-QFQXNSOFSA-N 497.986 5.030 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)[C@@H]2c2cccnc2)c1 1811943803 GZJHLJJTSCMYMA-JTOATPROSA-N 472.633 5.044 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1812795097 JSZXGWOQJTZOFG-QPUQPBFLSA-N 486.660 5.491 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1813053361 UCORGNGGQYDBJO-RBJSKKJNSA-N 469.560 5.011 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc4ccoc4c3)[C@@H]2c2cccnc2)c1 1813868206 LLRDTXJLDLYWMF-WMTVXVAQSA-N 478.552 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2OC)[C@@H]1c1cccnc1 1813907288 ANNHYMLZYNIQIZ-CVDCTZTESA-N 470.013 5.056 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccc(Cl)cc1 1818114193 MOIBXFMFSZUIRL-XUBBYMEQSA-N 497.020 5.360 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818116884 NKBAZGAZUPEDMI-JNCYCUAHSA-N 492.601 5.005 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C(F)(F)F)coc2C)n[nH]1 1818288438 WSLPEFARUSXPFG-QGZVFWFLSA-N 466.504 5.628 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C(F)(F)F)coc2C)n[nH]1 1818289853 BSUURICKPAGQRB-KRWDZBQOSA-N 466.504 5.628 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)[nH]n1 1819311262 SLSRUYWLXZLUMN-DNVCBOLYSA-N 462.928 5.416 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)[nH]n1)c1ccccc1 1819520437 ICMOSJXETWVEMR-AHKZPQOWSA-N 497.643 5.244 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)ncc2F)[nH]n1 1819554139 HLDXVEKRQSPYOC-QGZVFWFLSA-N 492.393 5.005 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)c1 1820533513 OHZPIMYNMOXZNO-NRFANRHFSA-N 481.478 5.228 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820547585 TVOKXBQRQUIXQR-RUZDIDTESA-N 490.567 5.272 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)n[nH]2)C1 1820822741 AGMVAVKZGOJQOB-WMZHIEFXSA-N 492.023 5.623 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)sc2c1 1821181722 OWBKIHVIZFIQBX-JOCHJYFZSA-N 483.597 5.619 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c(Cl)c1 1821277087 FQLMAGNQWIMFLS-FQEVSTJZSA-N 493.354 5.080 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2C)n[nH]1 1821336820 LJBRAYPFYWJXFH-SFHVURJKSA-N 467.422 5.250 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821527695 LUYIYEVYNRVFNW-APWZRJJASA-N 467.595 5.040 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)[nH]n1 1821917300 SMKNKZYRIRVASY-MWMGYGRKSA-N 474.605 5.329 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1821921396 UKBAZJQJAYPRSW-CVDCTZTESA-N 457.578 5.298 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)[nH]n1 1821987235 KJFRNHRTCGBBQC-ATIYNZHBSA-N 496.558 5.328 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(OC)c2)n[nH]1 1822126253 JQVHJHRASQXIQI-DGXIYAMASA-N 450.583 5.116 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)[nH]n1 1822387192 VJJWBUFSOLKBIK-OAQYLSRUSA-N 474.527 5.247 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)nc3)[nH]n2)c1 1823211991 DTPWKEHNHUIBFU-FDDCHVKYSA-N 484.604 5.349 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(OC)c2)n[nH]1 1823259427 XQHJFBHWVJPCRR-FQEVSTJZSA-N 458.990 5.370 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1823717119 SMCNPZCLOWSZDB-HXZXTKRRSA-N 482.671 5.272 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1 1823751036 HWROLVPJMSUEQR-AREMUKBSSA-N 461.650 5.389 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3cccc(Cl)c3)CC2)c1 1823983495 JLQNINFVBWWYPC-IBVKSMDESA-N 494.035 5.279 30 20 JKED O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056720 CNQNPHKBXPBAIB-KBQHCZQWSA-N 467.053 5.138 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824248358 UWTQWBVLJDMOBE-OPXMRZJTSA-N 475.073 5.290 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cnc2C)CC1 1825450504 AJTIRUFDYUHPOM-QFIPXVFZSA-N 490.486 5.378 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2)CC1 1825824646 YPCGUJSPFUPSNN-GDLZYMKVSA-N 477.608 5.029 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)sc2c1 1826201724 ACSSTFUFIKYZHD-QHCPKHFHSA-N 472.614 5.024 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c3ccccc3n3ccsc13)CC2 1826425209 NJYRGVRFIXUIRP-MRXNPFEDSA-N 476.627 5.030 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826670615 CZYBJIFYGPUWFS-QGZVFWFLSA-N 482.440 5.420 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1C 1827684080 UPWJFGJYSLVLJL-JJNABOQBSA-N 494.657 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827684478 CTGQZNQULKTBSI-IUWUCCHZSA-N 489.641 5.048 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1827793249 IUVXNHQWDXQGGZ-MHZLTWQESA-N 478.596 5.167 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)c1 1828155200 ZENMMSSWPIDLMO-HSZRJFAPSA-N 475.589 5.459 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1828401737 UFSRBWXSOSPLIK-PVHODMMVSA-N 490.047 5.443 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828550378 UAPYFYOOFWTAIM-OAQYLSRUSA-N 493.654 5.390 30 20 JKED Cc1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828903975 QLISZEYOUBKPDV-JOCHJYFZSA-N 458.744 5.341 30 20 JKED Cc1ccccc1OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828904276 UECPHOUDURGAHG-VWLOTQADSA-N 482.741 5.045 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3ncccc23)CC1)c1ccccc1 1829035062 KRTQYCYNXCTKEZ-LBNVMWSVSA-N 494.639 5.060 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1829588759 DATXAVJDSCIWPP-MUUNZHRXSA-N 496.655 5.657 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829673351 OCBSYPNRSJJSAA-PXDATVDWSA-N 451.586 5.309 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830017079 STCJSAYDXOWRKA-DEOSSOPVSA-N 480.008 5.157 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cccc1C(F)(F)F 1830633047 FPHKTTSAAPDRJO-RUZDIDTESA-N 497.561 5.627 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830676836 ZACFHOBSXLRZFA-NEKDWFFYSA-N 489.660 5.696 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)c3ccccc3)CC2)c(Cl)c1 1830720985 QZEPVFACVHYFSD-DNQXCXABSA-N 467.972 5.156 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831749428 VECXMIBOOHKGGO-JOCHJYFZSA-N 495.516 5.564 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 1832024699 CWBQERVABIKVSX-JOCHJYFZSA-N 477.418 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1832630156 GKEQSBWRNYKPTF-IUWUCCHZSA-N 489.641 5.048 30 20 JKED CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1)c1ccccc1 1837632784 YCEYQZAYWXIESZ-XMMPIXPASA-N 494.035 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)CC1 1838423969 YHHJCAVHIYFTCX-UHFFFAOYSA-N 468.682 5.490 30 20 JKED C[C@H](C#N)Sc1nnc(-c2ccccc2Br)n1-c1cccc(C(F)(F)F)c1 9250637 QXDOSVQLGNCTQU-LLVKDONJSA-N 453.287 5.720 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(Cl)cc1 9414728 TUOCGACXFXUPGU-UHFFFAOYSA-N 491.400 5.020 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10761040 KYGRAFZIFBFXRV-UHFFFAOYSA-O 468.017 6.259 30 20 JKED Cc1oc(NC(=O)COC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C#N)c1C 11987428 HPJDJJPCCURXJW-ONEGZZNKSA-N 460.330 5.001 30 20 JKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2n1C[C@H](C#N)CCC#N 14301120 PYOWNHBGUWBVON-JTSKRJEESA-N 482.415 6.304 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccc(Br)cc1 18773220 QSRRNHNFYRQXHH-UHFFFAOYSA-N 499.434 5.607 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCc3sccc3C2)nc2sc3c(c2c1=O)CCCCC3 21731953 BFGUIWKAWWJCTO-OAHLLOKOSA-N 485.700 5.040 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(OC(F)(F)F)cc1 22731731 ZIXBIQUTQADAJY-UHFFFAOYSA-O 481.466 5.764 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(OC)cc1 23998096 RGNPLGCBGMQMAR-MRXNPFEDSA-N 456.999 5.529 30 20 JKED Cn1ccnc1[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 26885267 JTEUWCVNJORZGM-OVKVCFKUSA-N 471.376 5.516 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccnc2)ccc1Cl 29297592 CWVPQDFOGASYNX-QHCPKHFHSA-N 482.005 5.094 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCSc3ccc(F)cc32)nnc1-c1ccc(Cl)cc1 32422716 BHWQBSZROYNQNW-GOSISDBHSA-N 475.014 5.369 30 20 JKED O=C(O)CCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 59105108 ZWXQGPIVWTXARP-UHFFFAOYSA-N 467.647 6.480 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc(OC)c1OC 107639585 AJXREJWKFRUHHX-UHFFFAOYSA-N 464.493 5.085 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccccc2SC(F)(F)F)CC1 216075118 ABFOXNCIJZMAFM-UHFFFAOYSA-N 463.437 5.240 30 20 JKED CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3c(C#N)cnn3-c3ccccc3)nc(O)c12 302977411 JQGYBYIMJKIHQF-CQSZACIVSA-N 492.630 5.082 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(NC(C)=O)ccc2C)c1 486130388 AZWMZTKIRLHCCN-UHFFFAOYSA-N 498.004 5.240 30 20 JKED C=CCN(C(=O)CCCOc1ccccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 496594834 SSVWSJXFVHEGJP-UHFFFAOYSA-N 491.034 5.245 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1C 497487343 AFSPQSXHLPPBDR-UHFFFAOYSA-N 456.468 5.251 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 497882383 IQHPAFYYBBOALJ-QGZVFWFLSA-N 462.512 5.340 30 20 JKED CCOc1c(Cl)cc(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OC 498749650 CZYWHGKWHQMKCH-UHFFFAOYSA-N 466.969 5.071 30 20 JKED C=CCN(Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br 499047522 HECYIELRSKFYSN-LBPRGKRZSA-N 458.219 5.288 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccco1 499319337 LEESCMCGGMQWTF-BOFXEDATSA-N 461.591 5.332 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)cc1 505812831 QBCUUHYXUBWDPW-UHFFFAOYSA-N 482.584 5.204 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1 508260380 RTTMNMPOOXRECQ-UHFFFAOYSA-N 496.523 5.204 30 20 JKED COC[C@@H](C)n1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C#N)nnc1-c1ccccc1 508942899 UCPKDWUDYAJGKL-QGZVFWFLSA-N 489.626 5.483 30 20 JKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 509200057 ZSQUHQDKQZVSKY-UHFFFAOYSA-N 468.564 5.053 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1 509636705 FRLXDSMERDAAQH-UHFFFAOYSA-N 485.569 5.513 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 510236519 DNYBDCNUYSDSPG-UHFFFAOYSA-N 473.488 5.712 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510296543 GLXRHODFIAMWGQ-LJQANCHMSA-N 489.597 5.213 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 511576626 PFWULGRXFLTVJW-UHFFFAOYSA-N 461.880 6.667 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3Cl)o2)CC1 514361393 JLRADSHTGKGYSW-YZGUTLMUSA-N 483.421 5.367 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1Cl 514575974 UFKXWKFTMCCYRX-HSZRJFAPSA-N 490.028 5.962 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2F)C(C)C)nc2sc3c(c2c1=O)CCC3 515182587 DIFQVCHITLDGEG-LJQANCHMSA-N 457.596 5.027 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3c(Cl)cccc32)cc1Cl 516730292 BMXDGLOQEDGKIU-NZQKXSOJSA-N 464.352 5.391 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 517532620 ODKFDNDGPBOYEY-UZTOHYMASA-N 487.625 6.278 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)CC1 517906042 MIKKQZQEXNLZAE-UHFFFAOYSA-N 488.931 6.107 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 521258487 YIOJMFKITPMXTH-SFHVURJKSA-N 457.043 5.625 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)nc(O)c2c1C 521497412 JCJCGEXVGIRKGD-MRXNPFEDSA-N 490.610 5.938 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 603457284 GGXYARYIAMCYLK-NRFANRHFSA-N 454.555 5.093 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)o1 603950411 JHVYHAMNOFWKDE-UHFFFAOYSA-N 455.436 5.602 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)cc2Cl)cc1 604027257 RNECNMYGVKMZSS-UHFFFAOYSA-N 483.837 5.856 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604362505 RTDXQOKDGOXTHO-QLPKVWCKSA-N 471.401 6.382 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1CSc1nc2ccccc2[nH]1 604491356 REANBOKWCXPLAO-UHFFFAOYSA-N 456.571 5.016 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1 604534391 QGEQVZQDBYJUCO-UHFFFAOYSA-N 498.530 5.120 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccccc1 609420474 PCAWIYYVMPGIBE-UHFFFAOYSA-N 470.501 5.077 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)nnc1-c1ccc(Cl)cc1 617896745 ZXOJMXCLTJYDTQ-INIZCTEOSA-N 482.009 5.031 30 20 JKED O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618537962 COCOETHOPWLINN-GHMZBOCLSA-N 473.389 5.607 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 620304582 PNGBKWPAIOURDU-CQSZACIVSA-N 465.506 5.892 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 726277659 CYORWACANMTLGP-JIPXPUAJSA-N 485.607 5.506 30 20 JKED CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 726321343 GDVPAQDDZMBSET-JJRVBVJISA-N 464.418 5.578 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1C 726403273 ZPMRKLBPKUCPCG-REWPJTCUSA-N 467.635 5.306 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1Cl 726409087 MQXNAVKYYRUARK-HXUWFJFHSA-N 482.924 5.104 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2ccccc2)C1=O 726422073 RZURAYVUQHXLFD-NSJWOJMJSA-N 479.627 5.347 30 20 JKED O=S(=O)(c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1)C(F)F 726426453 QGWDJJBBYQEPRY-UHFFFAOYSA-N 458.515 5.043 30 20 JKED CCOC(=O)CCN1C/C(=C\c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1 726428508 NCANHPQYXFAVQB-RPCRKUJJSA-N 477.564 5.088 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(C)cc2)c1C 727252273 CDIMDQRIZXQZCY-HSZRJFAPSA-N 493.608 5.128 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3ccc(O)c(C)c3)cc2OC)cc1 728232512 VNAJUIGBNZUGIM-XGICHPGQSA-N 461.514 5.022 30 20 JKED CCOC(=O)c1ccc(Br)c(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 728505149 FTGRTFXYXRBDAB-HXUWFJFHSA-N 499.386 5.082 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C(/Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)cc1 728698019 BGQTZVSSKDNVBJ-SGPNVBEDSA-N 451.910 5.818 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1 728777045 IHRKEDVUUSZBKF-HXUWFJFHSA-N 454.983 5.303 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728779066 GKVWSNGSXQDGRB-NRFANRHFSA-N 485.009 5.311 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729069191 GRGKCLNLHFPUHO-XMMPIXPASA-N 460.961 6.005 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1Cl 729445919 JMJUMXBKYHFBES-UHFFFAOYSA-N 492.016 5.262 30 20 JKED CN(C[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1)C(=O)OC(C)(C)C 729558373 BIHIBXDNPYARHV-JOCHJYFZSA-N 478.593 5.052 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729571722 NEHWRVPJFDZWDV-UHFFFAOYSA-N 494.470 6.181 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 729667316 BYHDDEZJLOMRMO-UHFFFAOYSA-O 492.404 5.664 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)N[C@H](C)c2ccc(Cl)cc2Cl)[n+]2ccc(C)cc2)c1 729669539 GTJRKRVFYAVUBV-CQSZACIVSA-O 492.404 5.259 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cocn1 730710811 SHIDYTDDKVXZJF-LJQANCHMSA-N 468.966 5.105 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 731061162 QARMOXJQXJWXFM-VJOZSWGJSA-N 480.586 5.861 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731312754 OSTHRKNCMXPSBH-XMMPIXPASA-N 491.613 5.322 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccccc3)s2)c1 731320600 XREBPTPHEWZBJR-OEAKJJBVSA-N 486.984 5.656 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 743315116 OTXGJDCBGTYGQT-RUZDIDTESA-N 490.604 5.994 30 20 JKED FC(F)(F)Cn1c(-c2ccncc2)nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 744146622 HPLXEIHUNLMRGM-VXGBXAGGSA-N 493.399 5.059 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cscn3)C2=O)cc1 747601474 VIFOUQHMZISEPA-JOCHJYFZSA-N 494.642 5.319 30 20 JKED Cc1nn(C)c2ncc(/C=C3/CC(C(C)(C)C)C/C(=C\c4cnc5c(c4)c(C)nn5C)C3=O)cc12 748511351 KCNJSISRISVHPW-FCRXMADNSA-N 468.605 5.359 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 750396210 UUBUKTBLARYFNC-MRXNPFEDSA-N 474.369 5.867 30 20 JKED Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)O[C@H](C)C(=O)Nc3cccc(C#N)c3)c12 813385395 PULXJDBGDPCOIW-CQSZACIVSA-N 494.429 5.273 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)cc1C 837299944 PIKCTWCBQTUDMK-HXOBKFHXSA-N 494.567 5.698 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837641366 MULVEGUPADGQAI-WMZHIEFXSA-N 458.587 5.420 30 20 JKED N#C[C@H](C(=O)CCNC(=O)c1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102971 MELAVMOBIJUCQN-CQSZACIVSA-N 450.372 5.175 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915354223 XQFWGQGODIKJRS-FNZWTVRRSA-N 490.629 5.255 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)oc12 915743314 FORNNBMXGYJBDH-MBSDFSHPSA-N 467.525 5.303 30 20 JKED Cc1ncc(CO)c(/C=N/C[C@@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)c1O 915979711 RULRFYMUAASCRU-GDWXBDPWSA-N 476.429 5.175 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccco2)C1=O)Nc1ccccc1 916205290 OHIBXCPFWCEKSC-IBGZPJMESA-N 457.914 5.233 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccccc2F)cc1 916205542 JZYMWMUSVLVFON-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cccc2ccccc12 916217230 IJTUROIULTXHAK-HSZRJFAPSA-N 477.586 5.227 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccco2)C1=O)Nc1ccccc1F 916217542 PCNZPSWQIPHFKA-IBGZPJMESA-N 491.466 5.598 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3ccccn3)C2=O)cc1 916217608 RGUBKLWYVAXXLO-VWLOTQADSA-N 480.593 5.704 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2-c2ccc(C)cc2)c1 916306240 FSGDFRUNLUMGGM-UHFFFAOYSA-N 496.596 5.294 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1c(F)c(F)nc(F)c1F 916325471 OYMSGOHJQQGCQJ-UHFFFAOYSA-N 479.393 5.043 30 20 JKED Cc1cc(CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1ccc(Cl)cc1 916846785 FEQWGRUMFJRNTO-HXUWFJFHSA-N 491.016 5.756 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc(O)c2c3c(sc2n1)CCCC3 916847438 PDNDHNKIIJTZNH-HBWSCVEGSA-N 459.449 5.064 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@@H](C#N)c3ccc4ccccc4n3)[C@@H]2c2cccs2)cc1 916849022 RJCRYZPLBMMKQB-ISJBWFOZSA-N 451.551 5.575 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1)c1ccccc1 916888569 WPJXDVPSTQWQNP-MGPUTAFESA-N 467.497 5.497 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2cccs2)c1 916900651 RBFIEPFTGQXSOG-GOSISDBHSA-N 454.935 5.259 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSCc1ccc(Br)cc1 916902291 CTXGIFVMIWHTPG-IBGZPJMESA-N 459.409 5.155 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2ccccc2Br)c1C 916908452 PZXIZDOVLIHKGY-NRFANRHFSA-N 492.417 5.943 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916913341 PSOCYBWBLSJOGY-MOTZXUDYSA-N 454.370 5.647 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1Cl 916938755 NGEUQJMJRYUZLA-GOSISDBHSA-N 473.335 5.134 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 917041465 SOFXIDLRZAAWMD-OAQYLSRUSA-N 484.506 6.397 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccc(OC(C)C)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 917375891 GCMQBVKNXLUJGF-QFIPXVFZSA-N 473.495 5.658 30 20 JKED CC(C)(C)OC(=O)N1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 918036961 GNSSKRHENUZUSI-NRFANRHFSA-N 468.985 5.470 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)cc1C 918978109 OZOYSLRYGBDGKS-UHFFFAOYSA-N 468.553 5.255 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2ccoc2C)ccc1Cl 919759370 XVJKOVIYYVJENT-UHFFFAOYSA-N 479.385 5.206 30 20 JKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920140406 GGMZBLJHVJDLTB-QFIPXVFZSA-N 483.622 5.959 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(Cc4ccccc4)c3Cl)n2)cc1 920144048 WUIUICAWVXSPJP-IBGZPJMESA-N 462.962 5.515 30 20 JKED Cc1sc2ncn(N=Cc3cccc(OCc4ccccc4F)c3)c(=O)c2c1-c1ccccc1 920364475 WTZCFEJSLIWNGG-UHFFFAOYSA-N 469.541 6.034 30 20 JKED C=C(Br)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 920983571 LRSHGIATEDVJGA-LJQANCHMSA-N 490.398 5.311 30 20 JKED C[C@H](OC(=O)c1ccccc1SCc1cscn1)C(=O)N(CCC#N)c1ccc(F)cc1 928987137 UPRHUEYOVYBTKA-INIZCTEOSA-N 469.563 5.067 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C(F)(F)F)cn3)CCC2)cc1 1786364074 CDJGKODSRPVNJH-UHFFFAOYSA-N 489.538 5.150 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C)cc2)CCC1 1787364466 AJCXSKJNSVEWBT-JOCHJYFZSA-N 481.593 5.195 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3cc(F)cc(F)c3)cc2)CCC1 1788249821 ZCTQWHRGUMQRFX-CMDGGOBGSA-N 480.536 5.142 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1 1788432174 YNCIDRJTBSEYPJ-UHFFFAOYSA-N 472.665 5.362 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nccnc5c4)cc3)CCC2)c1 1789065492 SWEMEOMEZQPILO-IBGZPJMESA-N 475.552 5.318 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4nccn4c3)cc2)CCC1 1789081946 SCFVUVSPIDZILB-UHFFFAOYSA-N 472.665 5.133 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)cc2)CCC1 1789191515 KXHZCRCZKIDPDZ-OOYKJYISSA-N 461.606 5.439 30 20 JKED CCOc1ccccc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1790239178 UXMXSONSLKABKN-CCEZHUSRSA-N 474.582 5.334 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCCC4(F)F)CCC3)cc2)cc1 1790290426 YCCWKGRCXXLDEX-DEOSSOPVSA-N 455.480 5.224 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4n[nH]c5cc(Cl)ccc45)cc3)CCC2)c1 1790373748 UGRJSRULYXNLRH-UHFFFAOYSA-N 483.959 5.078 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)cc2)CCC1 1790406004 QDWJBCQAFDMQPP-KNQAVFIVSA-N 469.626 5.144 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)C(F)F)CCC3)cc2)cc(C(F)(F)F)c1 1790785628 XTETYTOBIPFSCT-UHFFFAOYSA-N 487.375 5.225 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCCn4ccnc4)CCC3)cc2)cc(C(F)(F)F)c1 1790787410 KQDOWQJMDUFFNF-UHFFFAOYSA-N 495.505 5.002 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)cc(C(F)(F)F)c1 1790787471 MPZPSNHJMRLRPV-UHFFFAOYSA-N 466.463 5.019 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1Cl 1790802436 IMXJKNXOZUIGRI-UHFFFAOYSA-N 474.388 5.832 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C4CCC(CC4)N3C(=O)OC(C)(C)C)cc2)CCC1 1791411302 NEQIZWAZNMIOLX-BNVTUTKDSA-N 493.648 5.102 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1)NC(=O)OC(C)(C)C 1791958262 SBGOSDYQCKGZKD-HSZRJFAPSA-N 495.620 5.206 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ncc(Br)cc4c3)CCC2)cc1 1792262847 ZKOVMTMVJCMMEU-UHFFFAOYSA-N 490.401 5.087 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1)C2 1798337871 JUZIMDCSTSXZFN-UCWKTGAJSA-N 485.672 5.266 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)cc(Cl)cc2Cl)c1Cl 1800576830 DJVONPRJSJQDSD-QDMKHBRRSA-N 480.754 5.223 30 20 JKED CCc1c(Br)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2 1800636624 IUBZRMBZXHTKLT-RZXSNQJFSA-N 494.433 5.204 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(Nc2cccc(OC)c2)CCSCC1 1801432520 NBCIEQNWOQGEEK-NUNAXRQHSA-N 499.721 5.004 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/C(=O)c1cccs1)C2)c1ccc(Cl)cc1 1801551874 XHBIBFBXISQJQD-BOVJLVLLSA-N 485.049 5.218 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)[C@H]1c1cccnc1 1802501772 CAFCLWSUVVZNOD-RSXGOPAZSA-N 475.633 5.182 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(Cl)s2)[C@H]1c1cccnc1 1804280338 SPBVISWMELDYSS-PGRDOPGGSA-N 460.043 5.037 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1)c1ccccc1 1806453614 KETFVLAGJYVFAB-AJMXSWDOSA-N 498.602 5.242 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@H](CNC(=O)CCC#N)[C@H]2c2cccnc2)cc(C(C)(C)C)c1 1806867393 CLIGUEYHAGUCCD-QFQXNSOFSA-N 474.649 5.300 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCC2)[C@H]1c1cccnc1)c1ccccc1 1808494069 XGHGBRDJKNJSMA-HYCPNNLWSA-N 469.629 5.031 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 1809176864 RICYMJOOMYXHQF-UHFFFAOYSA-N 479.448 5.372 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1809753206 ILCTYPDXXVKASM-PGRDOPGGSA-N 467.660 5.670 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1810177281 CUPYSUSRGNHMRY-NHKHRBQYSA-N 479.624 5.837 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810268308 STVDIUGMUXXIIL-ATIYNZHBSA-N 496.127 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1810488139 DDKCMOFTZXRVFY-HHMCTSDTSA-N 451.636 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1810499246 WQZZVAXKAGHKOP-PXNSSMCTSA-N 475.420 5.095 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810590058 DKDRAMICJSFCGO-SIKLNZKXSA-N 491.966 5.053 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1810659058 GHCQSMPPGKQBGO-UGKGYDQZSA-N 457.977 5.186 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1812451801 ZADICLRJVYBNEN-RLWLMLJZSA-N 486.443 5.221 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1812935050 LAUZQERVYNZPNX-SAYMBASOSA-N 488.607 5.109 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2CCCC3)[C@H]1c1cccnc1 1813879812 YMBHAVWFLLDRKI-CLCZQPDDSA-N 457.618 5.048 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)[nH]n1 1814440497 TUVZFQATYYTOQB-QFIPXVFZSA-N 465.573 5.188 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccnc4C(C)(C)C)sc3C2)c1 1815912076 JVABOYBAKYGKSY-QFBILLFUSA-N 487.629 5.002 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(F)s3)n[nH]2)cc(C(F)(F)F)c1 1816029606 VJSFMECSMVDPFB-MRXNPFEDSA-N 491.470 5.120 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114563 IXZRAIGALJPZAO-VYENPZKTSA-N 494.617 5.415 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(F)CCCCC3)n[nH]2)cc1C#N 1818883815 ULSKBZCLZDDDLT-NRFANRHFSA-N 481.572 5.047 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)c1 1819078510 DKOJPUOHGRIXBX-FQEVSTJZSA-N 491.523 5.394 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1819309262 QCWZQXVSXHTXIO-NQIIRXRSSA-N 496.409 5.118 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)[nH]n1 1819552621 SFPNAFUGHSCVMS-QFIPXVFZSA-N 465.573 5.188 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820221145 OHIMCURLGXUUBU-OAQYLSRUSA-N 494.020 5.205 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821180784 BIVPSQODPBJLRL-HSZRJFAPSA-N 463.626 5.778 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4c(-c5ccccc5)cn5ccccc45)sc3C2)C1 1821271856 OBABQDVEQBTVCW-HXUWFJFHSA-N 482.609 5.255 30 20 JKED Cc1cc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1F 1823205730 ABSOTMAIORKFQY-HJPURHCSSA-N 477.515 5.243 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCC4)[nH]n2)c1 1823211928 PLUFTNRHQJTSIY-SIBVEZHUSA-N 481.600 5.074 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cc4ccccc4n3C)[nH]n2)c1 1823212407 SZPGGQNQLMWJQK-NIYFSFCBSA-N 494.599 5.077 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)[nH]n2)c1 1823216391 JAMYPUDKQRIACX-AOMKIAJQSA-N 493.514 5.258 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c(F)c1F 1823686372 ZFUOSOJWRYXGPT-XMMPIXPASA-N 479.571 5.011 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(Br)cc3F)CC2)C1 1823697409 OXQJVHZBRQYQJP-AVAOGFIGSA-N 489.429 5.187 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1823702683 SNAFRDYAABDEAU-MHZLTWQESA-N 481.640 5.806 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1823897208 RUDUMWMEJLHFRU-QHCPKHFHSA-N 467.972 5.206 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1 1823987541 SIXWMCLLYDTABM-AREMUKBSSA-N 496.026 5.146 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1)C(F)(F)F 1824242938 PCZPPHWMHXBWOI-FCHUYYIVSA-N 450.545 5.164 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827779653 VESGHAMJEIAMRP-QFIPXVFZSA-N 465.560 5.125 30 20 JKED C=CCCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c(O)n1 1828186855 RTRKLXBAELUVBB-XMMPIXPASA-N 487.600 5.199 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)Sc3cccs3)CC2)c1 1828778037 MLESYSBOVKJTNL-XXBNENTESA-N 481.687 5.342 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnc3ccccc3c2)CC1 1828823405 GJSWCIFPTYVTTG-XCZPVHLTSA-N 473.661 5.556 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCCn3cccc3)CC2)c1 1829039079 VFCQRAKIBQSYHV-KCWPFWIISA-N 474.649 5.219 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc(OC)c2OC)CC1 1829068533 BRKACXQQPFPPKF-OAQYLSRUSA-N 474.617 5.069 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1829233837 AVPFJBYKHRMYNC-UZUQRXQVSA-N 499.442 5.563 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829580137 SXPLIJMAYYBRHU-VWLOTQADSA-N 487.669 5.876 30 20 JKED C[C@@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CC=CCC1 1829692594 KGCPKSZEJZOLDD-ATIYNZHBSA-N 454.014 5.191 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1)C(F)(F)F 1829938775 COJHYNGRSPYPLF-SFHVURJKSA-N 462.434 5.057 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1830015509 SGZXDNQYXNATLV-QHCPKHFHSA-N 470.400 5.412 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C)c3Cl)CC2)c(C#N)c1 1830292639 WOCJKAQMYBNUEV-RUZDIDTESA-N 494.035 5.005 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830474941 QTOWYJMVKIPBKN-NSYGIPOTSA-N 499.989 5.792 30 20 JKED CCc1oncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601920 MCKAFOBJUNGNAZ-NDEPHWFRSA-N 495.623 5.184 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830717361 UGTLIEWJTOSDDC-HSZRJFAPSA-N 471.935 5.037 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cnc4ccccc4c3)CC2)c1 1830766540 ICWSUVLXGHGXHQ-GDLZYMKVSA-N 494.639 5.281 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1830828738 ZKTVXBGSOUDTKP-ROSOWXQZSA-N 489.664 5.274 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c1 1830967759 LCLBNAJDAKBYDP-AREMUKBSSA-N 486.641 5.034 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1831225793 OUXXWMPAHUDGKC-CTNGQTDRSA-N 464.984 5.201 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c(F)cc2OC)CC1 1831374115 LKZSTFDEEMAXPY-IIBYNOLFSA-N 495.433 5.042 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1832030638 WJCLWVYAWDEGQE-HSZRJFAPSA-N 477.020 5.305 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1832623555 MKLGJCYNFRBLOT-AFMDSPMNSA-N 479.571 5.447 30 20 JKED N#CCCC(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCc3ccccc3)CC2)CC1 1837796537 XMYHRFVZXWOPTI-UHFFFAOYSA-N 481.681 5.262 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)CC1 1838373601 YQFOVZYVXVNXNY-RPWUZVMVSA-N 485.068 5.137 30 20 JKED O=C(C1CCC(C(F)(F)F)CC1)N1CC2(CCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 1845339746 OAYJGZRONKOHJH-UHFFFAOYSA-N 480.424 5.030 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 8641568 BCRPABFVVKYVSK-HJPURHCSSA-N 453.999 5.123 30 20 JKED CCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nc2scc(-c3cccs3)c2c1=O 9751532 ILPNXMSVEGWGTD-CQSZACIVSA-N 472.661 5.030 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(C)c2)c(Cl)c1 10178866 OPZQQCZAPBFTBZ-UHFFFAOYSA-O 450.027 6.092 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)C[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)n2)cc1 14497418 OGTAIAHWCNWONR-JOCHJYFZSA-N 486.984 5.835 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nc2scc(-c3cccs3)c2c1=O 16986890 UBFBVFDNMBLRCC-MRXNPFEDSA-N 481.668 6.109 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(CO)c2)cc1 22731083 BJQYXAGILOFMNX-UHFFFAOYSA-O 476.405 5.223 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2)c1C 28793360 INRDXZRXMLTQPO-UHFFFAOYSA-O 471.002 5.108 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)Nc2c(C)cc(C)cc2Cl)[n+]2ccc(N(C)C)cc2)c1C 28793839 MQLPQGGMILHXMN-UHFFFAOYSA-O 498.072 5.509 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(C)c2)c1C 28793849 ZRSMHIMFBYAREB-UHFFFAOYSA-O 475.421 5.788 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 32288711 PPKUPIDYRLKNAK-LJQANCHMSA-N 459.571 5.145 30 20 JKED CCOc1cc(C#N)ccc1OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 71858150 SGYWQOOSZKXGNR-FQEVSTJZSA-N 455.470 5.053 30 20 JKED C=CCN(C(=O)c1cc(NC(C)=O)ccc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 72018201 WSWPWNBISAEOFV-UHFFFAOYSA-N 464.349 6.047 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 109553697 XCBZSZGAGYUPCY-UHFFFAOYSA-N 490.635 6.088 30 20 JKED N#Cc1ccc(CSCC(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 302924864 BZGDDNDKABLLRR-FQEVSTJZSA-N 462.402 5.118 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)c2)cc1 476143425 HNKFDGDUIYPHBX-UHFFFAOYSA-N 493.485 5.730 30 20 JKED Cc1nc(-c2ccccn2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487477068 TZCAYQSGAFBIAA-UHFFFAOYSA-N 485.516 5.704 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 494141102 OIZINKQAWRVSCK-UHFFFAOYSA-N 490.386 5.364 30 20 JKED Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3-c3ccccc3C#N)s2)c(C)c1 498719369 KVRIYONXRNAELO-UHFFFAOYSA-N 499.621 5.677 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc(Cl)cc1 501549106 IABOBIRMBARNJB-GFCCVEGCSA-N 451.354 5.696 30 20 JKED CN(Cc1ccccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CCCCC1 502672346 VNYHGPBEXJKMEL-UHFFFAOYSA-N 473.621 5.205 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)CC2)c1 504638890 ZKNZZSLUYYDMPU-UHFFFAOYSA-N 498.530 5.120 30 20 JKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 507809023 FBFZHZCAHOFNOB-MSOLQXFVSA-N 475.545 5.054 30 20 JKED CCN(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 509579484 MNSLDRBPPZFVPN-OAHLLOKOSA-N 452.561 5.606 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccco3)Cc3cccs3)c2)cc1 509895545 FBYMECLXGPNLIY-UHFFFAOYSA-N 457.555 6.220 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)cc1 510271720 QHMZCCQKGQWOFT-KRWDZBQOSA-N 460.559 5.062 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccsc3)CC2)cc1Cl 511570894 GHDUKUFRXXRDKL-NRFANRHFSA-N 464.978 5.047 30 20 JKED CC1CCN(C(=O)c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)CC1 513870315 XSSUPPSMJABEKT-UHFFFAOYSA-N 484.575 5.804 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1Cl 514574944 LGNHAXDQTGUWDP-JOCHJYFZSA-N 474.923 6.146 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1ccncc1 515306632 SPHLSYPSZHXVMG-OAHLLOKOSA-N 472.599 5.757 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nnc1-c1ccncc1 515598851 GAHHBPCQAPMJQW-UHFFFAOYSA-N 483.022 5.613 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccccc2F)n1 517453238 QZMMYEKVNFYMCX-HNNXBMFYSA-N 457.621 6.215 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 517465119 WXZBVMWBVONJKQ-HUUCEWRRSA-N 482.606 5.325 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 521259289 LJMBRCONCUTAKZ-NYHFZMIOSA-N 469.010 5.572 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 524141866 YDAZBYYDUCDVRD-UHFFFAOYSA-N 454.505 5.640 30 20 JKED C=CCN(C(=O)N[C@H](C)c1ccc(SC(C)C)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 596293503 BWZOKONNUAGQIL-RTBURBONSA-N 450.612 5.183 30 20 JKED Cc1sc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)c(C#N)c1C 603445065 LDYBADDCCDLFIO-UHFFFAOYSA-N 452.583 5.595 30 20 JKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 603613711 OZNVPEPPFGVUII-KRWDZBQOSA-N 461.428 5.442 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cn1 603829278 PQMIKTWUQAWUDS-UHFFFAOYSA-N 497.511 5.272 30 20 JKED C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)C[C@H](C)O1 604022225 NFDQTZVHPKNGSA-OALUTQOASA-N 471.582 5.211 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3nc(N4CCCC4)ncc3Cl)cc2Cl)cc1 604027216 OFUMEWOAMKINJY-UHFFFAOYSA-N 454.317 5.300 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCCOc2ccc(Cl)cc2)cc1Cl 604140591 UJFOFBJUIAIZJO-QHCPKHFHSA-N 496.394 5.563 30 20 JKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 608805506 ZQAFKGRUGXYBRP-LJQANCHMSA-N 497.526 5.542 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc2Cl)c1 609063241 SHQXVOQEFYEANI-UHFFFAOYSA-N 457.917 6.017 30 20 JKED Cc1sc2nc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n(C(C)C)c(=O)c2c1C 609370955 MQXSYERQFPMBFR-AWEZNQCLSA-N 486.688 5.638 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378652 VWPIAZGGIWGQOI-UHFFFAOYSA-N 497.546 6.095 30 20 JKED CCOC(=O)c1sc(NC(=O)CCCCOc2ccc(Br)cc2)c(C#N)c1C 609407167 OEAFNPCSMMNRLD-UHFFFAOYSA-N 465.369 5.055 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1NC(=O)c1ccccc1F 613319636 ISNKSXLIZREANE-FQEVSTJZSA-N 489.959 6.653 30 20 JKED FC(F)(F)c1ccc(-c2nc(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cs2)cc1 618449333 FQLFJBHHOLBDRT-BETUJISGSA-N 462.381 6.392 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(F)cc1 619097199 MUEUFRSYKCUAAD-ZWKOTPCHSA-N 460.578 5.781 30 20 JKED C[C@@H](NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1 622564880 USBMFLGQFYBAQV-SSDOTTSWSA-N 466.325 5.456 30 20 JKED N#C[C@H](C(=O)c1cccc(N2CCCS2(=O)=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281891 XTDFUFMJUNAING-QGZVFWFLSA-N 492.409 5.147 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 645079440 IIDSIOSWGZERPC-AXVVYFOYSA-N 463.047 5.118 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 726320046 RAXRLDDSHNEJQU-LJQANCHMSA-N 456.527 5.039 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 726320317 WTAFEOLOYBOOIV-IWAAJCSBSA-N 487.600 5.382 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCC)c1 726414265 ZBRDIIZXEQWNPM-IBGZPJMESA-N 459.493 5.057 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1NC(C)=O 726430066 XCNSVIJXTOANEP-IZZDOVSWSA-N 476.485 5.046 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccc(OC)nc1 726889432 RFMKZLFACNZANQ-OAHLLOKOSA-N 487.796 5.031 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)c(Cl)c1 726891371 NQEVUHIMRZOSQJ-QFIPXVFZSA-N 477.973 5.095 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 727235677 QKABBIQWIHEKRC-RYUDHWBXSA-N 452.404 5.751 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C/c2ccccc2Br)cc1 727358371 WFYQCYBTIOTEGA-JQIJEIRASA-N 483.387 5.507 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(Br)cn3)c2C#N)C1 727556387 RNBNTQUWQDFKHZ-ZDUSSCGKSA-N 490.423 5.114 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CCCCC#N)C2=O)c1 728778502 CVSBKVPIULTHEM-RUZDIDTESA-N 484.625 6.111 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 729144775 FRIAXHHGUYTFIJ-SFHVURJKSA-N 471.007 5.265 30 20 JKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccc(N2CCCC2)cc1 730440983 OCTJKSBGNMTGND-QGZVFWFLSA-N 458.587 5.421 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)cc1 730721043 YIXSCXNYYVNYJA-QHCPKHFHSA-N 470.554 5.297 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Br 731071606 UIDLMLHKFGJETL-LBPRGKRZSA-N 467.772 5.292 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12 731074754 VQXVMAVLKPBZAZ-SFHVURJKSA-N 499.567 6.088 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731075441 APVIVPIIYRHFNO-LBPRGKRZSA-N 492.047 6.023 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(C#N)cc1 731304297 NXLYTPYWZCOUFM-QHCPKHFHSA-N 484.581 5.041 30 20 JKED N#CC1(C(=O)Oc2ccc(Sc3ccc(OC(=O)C4(C#N)CCCC4)cc3)cc2)CCCC1 746058350 HYMGXFVOYOAGGY-UHFFFAOYSA-N 460.555 5.817 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C=C\c3ccc(-c4ccc(F)cc4)s3)CC2)c1 749147437 MIEDPYYLVKJXHQ-LUAWRHEFSA-N 459.546 5.316 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 750685651 AUFYZBRDRHDVAQ-NFBKMPQASA-N 492.620 5.489 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(C3CCN(C(C)C)CC3)C2=O)cc1 837300713 BVYYQJGBUHNPIG-DEOSSOPVSA-N 478.662 5.137 30 20 JKED CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840195833 FBSPXMYLNYGMKE-HSZRJFAPSA-N 476.989 5.761 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)s2)c(F)c1 883977360 DXSVXYCQAYEONY-RYUDHWBXSA-N 468.438 6.205 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)COc1ccc(C2SCCCS2)cc1 914515382 RWQOTKYVUYQLQZ-UHFFFAOYSA-N 460.624 6.039 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OC)cc2)c1)C(C)C 914683646 WNWSMRAUNPEKLH-UHFFFAOYSA-N 478.614 5.127 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 915085319 AGGOCBAOHWOGJW-NDEPHWFRSA-N 495.604 5.810 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 915097835 BGNUHEJEETUJJY-HOCLYGCPSA-N 485.594 5.438 30 20 JKED Cc1ccc(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)cc1NC(=O)c1ccccc1F 915514080 CBTVHKJGZVCXEO-UHFFFAOYSA-N 493.922 5.144 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(Cl)s2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916135714 KIJHLLQRJBTFHV-VURMDHGXSA-N 495.906 6.343 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)cc1 916212678 PNKFJJLESPDDKW-QFIPXVFZSA-N 479.005 5.512 30 20 JKED CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2[C@H]2CCCO2)cc1 916366993 PLNIXOZCJGMWOI-JOCHJYFZSA-N 490.658 5.655 30 20 JKED COc1ccccc1Nc1nc(Cl)c(C=Nn2c(S)nnc2-c2ccc(C)cc2)s1 916545036 YUCQBZPCTJGUSK-UHFFFAOYSA-N 456.984 5.287 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc2ccccc2n1 916848621 FTYJNTLIRBRGSN-KRWDZBQOSA-N 458.871 5.395 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cnn1-c1cccc(Cl)c1 916888198 SZBGFBRTYQPOCI-QGZVFWFLSA-N 460.893 5.110 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916888777 YLRMAXWNVTYOLD-HXUWFJFHSA-N 483.471 5.354 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1 916945566 XGIZNRPTRCHVDN-KRWDZBQOSA-N 460.342 5.395 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(COc2ccc(F)cc2)n1 916946353 RTJVZXZGVOPLQW-MRXNPFEDSA-N 464.305 5.129 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(OC)ccc(Br)c3[nH]2)cc1 916949081 LSBRXUNCHLWNKQ-CXAGYDPISA-N 468.351 5.414 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C(=C/c1ccc(F)cc1)c1cccs1 917507265 SWBUOSCNHUDFAG-TVNWYLLRSA-N 464.518 5.141 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1 917683525 YMZDRSXCGDXNCM-HXUWFJFHSA-N 453.564 5.356 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2C#N)c1 917702188 DDJFIDVCIXYCKG-RUZDIDTESA-N 498.608 5.344 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OCCOc1cccc(C#N)c1 919158118 SGZBMGLXTRXTEH-UHFFFAOYSA-N 458.898 5.209 30 20 JKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)C(=O)Nc1ccc(SC(F)F)cc1 920108079 MRTZAAWNQDPCIY-INIZCTEOSA-N 485.375 5.594 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1Cl 920111559 NFEFDNFIMANXOH-GOSISDBHSA-N 452.894 5.099 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)cc1 920113992 WJAZXAOPGVRKDI-HXUWFJFHSA-N 497.320 5.028 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 920140430 HAFBCFVACGFIGC-CTNGQTDRSA-N 474.973 5.064 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2C)C(=O)N1Cc1ccsc1 920172374 HNEYETGKKADVEI-NRFANRHFSA-N 493.610 5.224 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cccs2)C1=O 920176246 QXKKIGZJVGDBIO-HSZRJFAPSA-N 491.638 5.406 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(Cl)s3)n2)cc1C 920676408 UFDFXYFKOUEOKG-UHFFFAOYSA-N 459.980 5.246 30 20 JKED COc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)cc(Br)c1OCc1ccccc1 920832507 MMBQEGGOZQXRTK-ZHACJKMWSA-N 455.352 5.283 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2)C1 1781024089 NXKWLDFEXJDKRK-FYBSXPHGSA-N 480.693 5.375 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)CCC2)cc1 1786360868 XKBYFZGGKWCTCQ-OAHLLOKOSA-N 478.898 5.145 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cccs3)cc2)CCC1 1788230432 ASKPZEMQHVEFDO-QFIPXVFZSA-N 497.661 5.284 30 20 JKED Cn1ncc2c(C(=O)Nc3ccc(C4(NC(=O)CCCC#C[Si](C)(C)C)CCC4)cc3)cccc21 1789087524 GPUVPFIIRBXDOF-UHFFFAOYSA-N 486.692 5.372 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc3)cc2)CCC1 1789438269 HLRDYBJPCSNGAS-DEOSSOPVSA-N 491.632 5.395 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5n4)CCC3)cc2)c1Cl 1790083738 JLQQYMNXHHIMGO-UHFFFAOYSA-N 481.943 5.216 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)Cc4c[nH]c5ccccc45)cc3)CCC2)c1 1790396573 QTCVUIHZKHVDLT-UHFFFAOYSA-N 466.516 5.169 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3c(Cl)ccc(Cl)c3O)cc2)CCC1 1790760812 MFSYCBLAPWINJH-UVHMKAGCSA-N 486.355 5.159 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccnc4ccc(Br)cc34)cc2)CCC1 1790837247 YFBHRBPQRHWUOX-UHFFFAOYSA-N 477.362 5.049 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc4sccc4c3O)cc2)CCC1 1790930684 HOTPXBHQSSCBSV-UHFFFAOYSA-N 452.601 5.274 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5oc(-c6ccccc6)cc5[nH]4)cc3)CCC2)C1 1790947846 HUOYLAVWGBOOAK-UHFFFAOYSA-N 465.553 6.142 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(F)CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791244428 RSPGIGBFIWPJEP-LJQANCHMSA-N 487.616 5.072 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccn5ccnc45)CCC3)cc2)c1 1792123442 AQVBTQSWVUKWBL-IBGZPJMESA-N 463.541 5.023 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)OCO5)CCC3)cc2)c1 1792123555 ISJHXNWGWAXICA-SFHVURJKSA-N 467.525 5.104 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)C[C@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204910 LOZLSUNWTXLADS-JDITYXQVSA-N 469.626 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(Cl)cc2)no1 1796488862 LUAURUIUDYOXFQ-PLACYPQZSA-N 453.970 5.015 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)sc2Cl)C3)c1Cl 1799303367 ZGGMKSFOWZOZEG-CLLJXQQHSA-N 468.793 5.146 30 20 JKED Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(C#N)cc3Cl)sc2c1 1800691686 QQFHHZMYCFRUFQ-REPLKXPHSA-N 463.990 5.300 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1802500295 LZBWIEJHNNFJBM-ZCYQVOJMSA-N 477.649 5.571 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1802500400 NHDTXHQSGMEHQH-HYBUGGRVSA-N 484.040 5.446 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2CCCC3)[C@H]1c1cccnc1 1803091378 GFFJIAQNJOWZLE-IGKIAQTJSA-N 457.618 5.048 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)cc1 1803678498 BZVLRBBTBKSAFO-YEHREXKJSA-N 478.596 5.250 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cncc4s2)C3)c1 1803679076 MDHJTLIBIDDSQM-FZDIXFNVSA-N 479.005 5.142 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1804375559 NQCDWFRBYWHLJI-ZNEAUCHSSA-N 470.617 5.275 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc([C@H](C)C#N)c3)C4)c[nH]c2c1 1804522827 WGBHAKWVHVNYPQ-OCJZHWHWSA-N 466.585 5.069 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)C1 1805457552 FCBQHOHPPLFKMS-UHFFFAOYSA-N 463.666 5.290 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807846160 UQAFCFQYJRRNMF-WNJJXGMVSA-N 494.639 5.540 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809209708 LMZZTLZJNJFLNL-VGOFRKELSA-N 486.062 5.189 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810172185 KUKNKROQQWEWPF-DFIYOIEZSA-N 477.008 5.304 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810454066 VULNURFECGETHA-SVBPBHIXSA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1810503983 UIRSUAYKSOTMRK-XXBNENTESA-N 464.635 5.245 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810531649 MSHBJBQAAHJOIS-RSXGOPAZSA-N 477.674 5.265 30 20 JKED Cc1ccoc1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811250654 AVCRWFQQRYBBHA-IZLXSDGUSA-N 489.575 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1812260108 XBPHSBHKGXAUMS-RQNQAMLKSA-N 489.019 5.371 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1813225588 UNPFYORPHQSDEN-NPAAKHOSSA-N 480.052 5.374 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c1 1813868400 NCBWQFSUUXRGKB-CFRFINDLSA-N 490.966 5.135 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1813870094 XPBULBSOLQXWSB-CNPGNWEMSA-N 487.003 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cnc3ccccc3c2)n[nH]1 1814727597 HFEJQDIZQOBJMK-DEOSSOPVSA-N 473.621 5.575 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)[nH]n1 1814829193 BVIXMBRENCPZIR-XMMPIXPASA-N 477.584 5.423 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1815218655 PLUWQAUGMMLYRD-VGOFRKELSA-N 487.560 5.048 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1815247073 VNUXMNPVDSKLBR-WMZOPIPTSA-N 499.862 5.086 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)[nH]n1 1815655947 BBGSROPEKBYNOG-HXUWFJFHSA-N 473.042 5.096 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn3c(Cl)cccc3n2)n[nH]1 1818526225 JDZKAIRCOUBZMH-SFHVURJKSA-N 468.989 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccc(C)cc2)n[nH]1 1818798849 BZPOVSDUGSMSGN-UNMCSNQZSA-N 452.624 5.271 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c(-c3cccc(OC)c3)c1)CC2 1819595990 GYEFWXXCMCOTAF-PZJWPPBQSA-N 490.629 5.141 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3Oc3ccccc3)n[nH]2)cc1 1820438148 YJAFENIEYLSSGY-RUZDIDTESA-N 491.551 5.693 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)n[nH]2)C1 1820822739 AGMVAVKZGOJQOB-CVDCTZTESA-N 492.023 5.623 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)[nH]n2)cc1 1821179728 LLIOQQDVFPYBKO-HXUWFJFHSA-N 499.468 5.253 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3N3CCCCC3)n[nH]2)c1 1821308657 YXBYDURXSHCPKL-AREMUKBSSA-N 496.615 5.200 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(Cl)cc3Cl)n[nH]2)C1 1821858548 SYNSHBFBLUPMNM-FQEVSTJZSA-N 461.393 5.308 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)n[nH]1 1821869283 OHRISRHIPSSSJQ-NRFANRHFSA-N 468.001 5.261 30 20 JKED CC(C)c1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)cc1 1822138005 IDVRIEMGASGUQX-DEOSSOPVSA-N 473.552 5.092 30 20 JKED Cc1cc(C)cc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c1 1822602833 YGSKFSSFIVPTLJ-VWLOTQADSA-N 469.589 5.031 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)n1 1823212349 UWDAISSFRBGYAP-HRAATJIYSA-N 476.606 5.236 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823214620 GWZOZVSRMVIWTO-RGCVBCPRSA-N 471.561 5.348 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ncc[nH]4)cc3)[nH]n2)c1 1823215764 COIWYCIVRIJHPT-UUOWRZLLSA-N 493.571 5.047 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1823254354 MUEJSZBGNFEVFE-IBGZPJMESA-N 498.370 5.216 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)c1 1823274572 HNBOJWVIRXQAHQ-OAQYLSRUSA-N 497.933 5.152 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)C1 1823704150 BERRWKNNOIFDFF-NRFANRHFSA-N 452.492 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824268254 FEVVTKYOFSPIPS-IZLXSDGUSA-N 494.676 5.436 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c[nH]2)cc1 1825425141 RLCGXQHVXVAFPU-GDLZYMKVSA-N 494.639 5.603 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(F)c2)CC1 1826481162 CUNJBZHQDUWRIG-RUZDIDTESA-N 470.705 5.039 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)CC1 1826637701 CXHSSJDLSCPXRR-UIOOFZCWSA-N 482.665 5.025 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827266112 IBMGYTZLLYDECK-NRFANRHFSA-N 472.054 5.377 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828256940 MYDRYFKKRVJQBG-RUZDIDTESA-N 478.709 5.717 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828295486 MSFAJZVTZBTQGJ-NRFANRHFSA-N 463.956 5.266 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccc(F)cc2F)CC1 1828820970 HQZCBTLAQDBSFV-GGAORHGYSA-N 476.633 5.445 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Sc2cccs2)CC1 1828826228 AANUGZFQQGUDHU-KSEOMHKRSA-N 460.709 5.617 30 20 JKED COc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828908795 VTHFAPDKNAEWSR-VWLOTQADSA-N 486.704 5.119 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn3ccc(Cl)cc3n2)CC1 1829066859 XHFHHDIPNKQNDK-QFIPXVFZSA-N 471.045 5.213 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](C)Oc2ccccc2)CC1 1829071338 UCBRKVSLMRFKTL-RDGATRHJSA-N 454.655 5.456 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419192 NPMIVXAKKCFRMK-HSZRJFAPSA-N 463.647 5.237 30 20 JKED Cc1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829685534 IKZOAPNZVWAZTP-HXUWFJFHSA-N 456.011 5.129 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c1Cl 1829690210 QKYQKOHZIFLEDA-JOCHJYFZSA-N 493.032 5.368 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)c1 1829902962 ZNHJRLQOHVKCBE-JOCHJYFZSA-N 488.390 5.551 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1829974696 YUVVSHBLCWUXQF-XMMPIXPASA-N 484.427 5.341 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1830016473 GEHRTQNYGQGROM-UKILVPOCSA-N 476.020 5.175 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830452154 SGPNSXVQZLDWJK-FTJBHMTQSA-N 493.598 5.668 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492670 XMINHPYQOVCCOJ-AJTFRIOCSA-N 476.617 5.303 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Br)c3F)CC2)cc1 1830503087 GKSFSAISNXBOOI-JOCHJYFZSA-N 498.396 5.007 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c(Cl)c1 1830721222 DCPWLRTUOGTVNN-FQEVSTJZSA-N 493.913 5.371 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c(Cl)c1 1830725036 XPCHTXXKUIRJJX-LALUYCJQSA-N 468.041 5.271 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1830787262 WMVDBTOHJXODNH-AREMUKBSSA-N 473.617 5.039 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nscc23)CC1 1830970626 ATYVAVNYQIYNGN-RDPSFJRHSA-N 451.636 5.298 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1 1831297741 OMQBPQKEWKVLEV-XMMPIXPASA-N 483.534 5.053 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832584036 UJGWAEHKNYSUEV-VWLOTQADSA-N 482.741 5.288 30 20 JKED Cc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703513 MVAYMBLXDHCMMV-AREMUKBSSA-N 473.617 5.201 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CCC3CCCC3)CC2)CC1)c1ccccc1 1837611628 GTFLJLOBHGMSHS-MUUNZHRXSA-N 478.677 5.153 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)CC1 1838373349 JWTXKDXZEAPDTP-HSZRJFAPSA-N 496.051 5.269 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4c(ccc5ncccc54)s3)C2)c1Cl 1844639648 YPGDUBQZQXIWOI-UHFFFAOYSA-N 486.984 5.105 30 20 JKED C[C@H](S)C(=O)N1CCCC12CN(C(=O)c1cccc(Oc3ccc(C(F)(F)F)cc3Cl)c1)C2 1846370317 IZFBCQMWGFXYAD-AWEZNQCLSA-N 498.954 5.286 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2cccc(CC)c2)cc1 10174474 ADQZCLZVSGVOBC-UHFFFAOYSA-O 465.642 6.817 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)c2cc3ccccc3o2)c1 11684644 FENLEXCFPQJPHK-UHFFFAOYSA-N 470.506 5.075 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1 20067911 USMIVFIJNVAPAL-UHFFFAOYSA-N 476.627 5.904 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 21125469 WZTGLQHYJBLUTF-CYBMUJFWSA-N 481.380 5.608 30 20 JKED COc1ccc(CCn2c(S[C@H](C)C#N)nc3scc(-c4cccs4)c3c2=O)cc1OC 23600364 ZDPMPDYINMNKEQ-CQSZACIVSA-N 483.640 5.451 30 20 JKED Cc1csc(Sc2ccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2Cl)n1 72086927 NUDAQQYPJHMCKM-UHFFFAOYSA-N 458.996 5.004 30 20 JKED C=CCOc1ccc(C(=O)N2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)cc1OC 303049769 RHZOYJKPEZGMOF-UHFFFAOYSA-N 462.512 5.015 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c12 303196468 GOTOFZATLWMEHT-UHFFFAOYSA-N 459.594 5.173 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 303298227 OBENGIKVNDGOFS-AWEZNQCLSA-N 461.534 6.262 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 409474906 BWUWRQIKJBFTPA-HHHXNRCGSA-N 475.662 5.437 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1)c1ccccc1 409564006 VCRUBTKBVBQFOJ-SANMLTNESA-N 482.584 5.657 30 20 JKED C=CCN(C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)c1nc(C(=O)OCC)cs1 409814235 FOZMWXKLEBAAAJ-UHFFFAOYSA-N 482.587 5.343 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2c(F)cccc2Cl)cc1Cl 484103591 IVPULVPEORAGMM-QGZVFWFLSA-N 456.304 5.043 30 20 JKED Cc1nn(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc2)c(C)c1Br 487876688 QVTYYHFIPYIWFC-UHFFFAOYSA-N 491.311 5.328 30 20 JKED COc1ccc(CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Br 488008353 HYYBAMWUPSBGMK-UHFFFAOYSA-N 481.365 5.630 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 489881170 GFPOMCVWIQDPFU-UHFFFAOYSA-N 485.547 5.315 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)c2)cc1 495184027 MZOQWWCHDZMYCU-QHCPKHFHSA-N 474.630 5.427 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3oc4ccccc4c3CSc3ncccn3)s2)cc1 499290177 RWETXSAWABLVIH-UHFFFAOYSA-N 483.578 5.686 30 20 JKED N#CCCN(Cc1ccco1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 502570267 OHDUWFCQUAAVKQ-CYVLTUHYSA-N 472.526 5.671 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 505691970 NCDNDTOOJUSRFZ-UQBPGWFLSA-N 483.568 5.297 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(F)c1 509905909 TUKFCSHTOPRUFR-RUZDIDTESA-N 469.520 5.115 30 20 JKED C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1c(Br)cc(C)cc1Br 513648075 OLBRYFIRIGRRMJ-UHFFFAOYSA-N 484.144 5.174 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 516476461 RLDSEKKRLWULGP-QFIPXVFZSA-N 480.395 5.681 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 518253003 OBRZSHNNPAFYGD-VFNWGFHPSA-N 453.564 5.126 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 520431291 DQFNNHDXXSRSKU-KRWDZBQOSA-N 459.477 5.831 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 520827416 AWMZSJBSKZRQHG-IBGZPJMESA-N 456.571 5.506 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccccc2SC[C@H](C)C#N)cc1 520835917 ZBPSJSIRANEZRT-RTBURBONSA-N 488.613 5.638 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 520855436 NEBFMWSMQYXIPU-UZTOHYMASA-N 487.625 6.135 30 20 JKED N#Cc1cccc(COc2cccc(CN[C@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)c2)c1 520949461 CRXMTFIAZLPIGM-AREMUKBSSA-N 493.529 5.609 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1OC 521726914 SRZOATJYNXYYAU-OAHLLOKOSA-N 453.589 5.260 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 521733539 IKZKWFMLMMSNAO-HKUYNNGSSA-N 471.648 5.062 30 20 JKED COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1 521734586 RIRHICHLTDUNDN-MRXNPFEDSA-N 469.657 6.085 30 20 JKED CC(C)(C)OCc1cccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 522427726 PSTQDOSWIWRXBX-UHFFFAOYSA-N 456.546 5.447 30 20 JKED CCn1c([C@H]2CCCN2C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nc2ccccc21 522519324 YJHXMEQTUHZFOC-XMMPIXPASA-N 479.540 5.022 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 523819092 HNMWQAZGMMOVMF-LJQANCHMSA-N 461.537 5.578 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc2ccccc2n1C(F)F 549167684 AXUVBBWNDTVKKE-QGZVFWFLSA-N 477.490 5.915 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2)cc1 589283980 VETUEQJHUPXEQD-UHFFFAOYSA-N 458.583 5.851 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 603591975 WUXROXGAKKKHSH-DEOSSOPVSA-N 493.032 5.248 30 20 JKED N#Cc1c(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)sc2c1CCC2 603776387 VSOMDIQRJARBSL-UHFFFAOYSA-N 466.360 5.376 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)cc1 609060701 BEDMAEYLCUIVPW-VWLOTQADSA-N 467.569 5.245 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 609078373 LPSIPNMAODKAAM-UHFFFAOYSA-N 464.569 6.339 30 20 JKED Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1S(=O)(=O)Nc1ccc(Cl)cc1 609159865 YXLGLHZLYNFESR-UHFFFAOYSA-N 478.961 5.180 30 20 JKED N#Cc1ccc(CNC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)c(F)c1 609327340 WJOXXIURRQTRMF-NRFANRHFSA-N 457.274 5.035 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 609369825 MCSQZMMKSVUEEL-HNNXBMFYSA-N 495.029 5.811 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2C)cc1 609382875 VMGZNGDWJBJURG-SFHVURJKSA-N 479.627 5.608 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427366 IDCKDYDDPSWDEY-UHFFFAOYSA-N 487.968 6.879 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 609434583 ATSHDPCTJQPBMS-GOSISDBHSA-N 451.592 5.486 30 20 JKED C=CCOc1c(Br)cc(CN[C@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1OC 624477369 LQYGXISAQXJUNT-FQEVSTJZSA-N 480.406 5.127 30 20 JKED O=C(Cc1csc(-c2cccc(F)c2)n1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642157902 OSTKJEPEHLEIQI-IMRBUKKESA-N 454.411 5.517 30 20 JKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1cc(Cl)sc1Cl 725841336 AIZTUQSYGZSWBA-UHFFFAOYSA-N 453.395 5.416 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726421354 MRJMDNMWDAHGFF-CITQPITHSA-N 485.553 5.099 30 20 JKED N#Cc1ccc(NC(=S)NCC2(c3cccc(Br)c3)CCOCC2)cc1Cl 726473782 PRVSJNFDNXCVJK-UHFFFAOYSA-N 464.816 5.009 30 20 JKED COc1ccc(C)cc1/C(O)=C(/C(=S)N=C1C=CC(=C(N)O)C=C1)[n+]1ccc(C(C)(C)C)cc1 726569483 ALAFDWKRHNTZSZ-UHFFFAOYSA-O 476.622 5.095 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)cc1 727650661 PTXKJXBNCUJHPA-VWLOTQADSA-N 498.608 5.312 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3ccccc3C)cc2)cs1 727781419 NNCOMBDXFWFAQD-SFQUDFHCSA-N 482.605 6.920 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](O)c3ccccc3C(F)(F)F)cc2F)c1 728737997 CAUADELNIKKLJH-NRFANRHFSA-N 473.426 5.150 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc2ccccc12 728776106 IITFFJTVQKUEST-HSZRJFAPSA-N 474.561 5.633 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)c1 728780598 VBGDXIARGZYLIY-JOCHJYFZSA-N 479.005 5.284 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cn2c(S)nnc2-c2cccs2)cc1Cl 729319709 NTVDGRLRNTVMDP-QGZVFWFLSA-N 465.991 5.243 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 729632777 AIOVJBVJRNFWGE-JOCHJYFZSA-N 479.005 5.512 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)cc1 730443575 FVEQWAPQXOHDPT-HSZRJFAPSA-N 494.592 5.196 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)cc1 730720995 XXUWZHPUFCWDMY-HXUWFJFHSA-N 468.966 5.051 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cocn1)c1cccs1 730730479 VUJDBWNPBLITQB-ZRGIPMBISA-N 490.610 5.479 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2ccccc2Cl)n1 731080540 PATABSBLFXAWFE-AWEZNQCLSA-N 471.991 5.653 30 20 JKED Cc1cc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c(C)n1-c1ccc(C#N)cc1 731188359 LLPMMSNRHCKUQP-UHFFFAOYSA-N 468.536 5.342 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(C#N)cc1 731304295 NXLYTPYWZCOUFM-HSZRJFAPSA-N 484.581 5.041 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)cc1 731304908 BTRAEHDFVVYWQP-UZUQRXQVSA-N 474.586 5.071 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2cc(F)cc(F)c2)C1=O)Nc1cccc(O)c1 731306733 OCFQNLMPFKWJHU-QFIPXVFZSA-N 499.514 5.013 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C)cc1F 731310314 FGGGICBAIIEUHH-QHCPKHFHSA-N 493.560 5.009 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731311758 DRQACEYHBGCTPE-IQGLISFBSA-N 496.592 5.662 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731312493 MFFTWQFJBFWYPC-NRFANRHFSA-N 499.514 5.582 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2)cc1Cl 731312660 QHQFPLYEOBQVLN-QFIPXVFZSA-N 495.988 5.215 30 20 JKED C=CCN(C(=O)COC(=O)[C@@H](C)CSC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 731390317 WBCYTRLURIVJCG-LBPRGKRZSA-N 459.420 5.178 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1OC 744935934 JZKQCEIWAWJHAV-CYBMUJFWSA-N 476.341 5.095 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCOC1CCCC1 747043457 KEMTUEFRMBVNSP-HSZRJFAPSA-N 494.592 5.007 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)n1 747112450 XLPVWXSCYLEYTA-DEOSSOPVSA-N 464.525 5.302 30 20 JKED COc1ccc(/C=C2\SC(=S)N(CCSc3ccccc3)C2=O)cc1OCCCC#N 747472945 KUEVEOAPRHAUHP-PGMHBOJBSA-N 470.641 5.371 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1OCCCC#N 747473101 QBRKCSRTDMNHKH-XQNSMLJCSA-N 460.580 5.937 30 20 JKED CC(C)COC(=O)N1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 750687320 KIPIPCJKJSSPBT-JOCHJYFZSA-N 468.985 5.328 30 20 JKED CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 773313204 YEWPUTDBRVKKIF-KRWDZBQOSA-N 473.554 5.375 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)O[C@H](C(C)=O)c2ccccc2)c1 791143402 VPERALXJMOXJTB-XMMPIXPASA-N 483.973 5.208 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2C)c1 837348049 KETJYSWCUORBET-QHCPKHFHSA-N 477.561 5.303 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1C 837402722 UATWVNPFXZPKPG-JPYJTQIMSA-N 476.577 5.559 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 837958937 KYCGAPNKRFECJG-QVKFZJNVSA-N 499.423 6.110 30 20 JKED C[C@@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 849191812 WQYMZGHGTHSQQY-XMSCMFJESA-N 470.529 5.201 30 20 JKED O=c1c(C=NNc2nccc3sccc23)c(Sc2nc3ccccc3s2)nc2ccccn12 915980367 PLJRRJZPUWQVLC-UHFFFAOYSA-N 486.607 5.511 30 20 JKED CCNC(=O)COc1ccc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)cc1OC 916133765 LNQGZJNQALUMBX-HKWRFOASSA-N 472.566 5.243 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc2ccccc12 916210248 YSCPMOLICMCPRP-REWPJTCUSA-N 477.561 5.118 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(CC)cc1 916214638 PXMVEVXYOLUJNE-LJQANCHMSA-N 463.525 5.638 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CC2)C1=O 916217335 KUJWSSBFCGCJRJ-GOSISDBHSA-N 497.926 5.490 30 20 JKED COc1ccc(C(=O)Oc2ccc(C=Nn3c(S)nnc3-c3ccccc3Cl)cc2OC)cc1 916277046 QYWHNAYPIBYEOP-UHFFFAOYSA-N 494.960 5.006 30 20 JKED CCN1CCN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)CC1 916564715 AFXXHHPWHUBKFG-UHFFFAOYSA-N 456.615 5.245 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2F)C[C@@H](C)O1 916680437 GSJXRSCGNJEJPV-DFIYOIEZSA-N 472.564 5.416 30 20 JKED N#C[C@@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)Nc1ccc(SC(F)F)cc1 916887488 PBEGWFQIGZXZEN-IBGZPJMESA-N 470.497 5.353 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 916900626 QUTOOUOOMFZKEI-LJQANCHMSA-N 491.016 6.135 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 916902643 HVAZRWUUFZBTIR-GOSISDBHSA-N 476.964 5.208 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1OC 916928674 QSUVFHCFCZPCAG-HNNXBMFYSA-N 490.368 5.024 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1)c1ccccc1 916932567 YPNFYQFYDBAHQM-RDTXWAMCSA-N 454.313 5.490 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3ccnc(C)n3)C2=O)cc1 917652439 AVDRCJFAIKYOGR-VWLOTQADSA-N 495.608 5.407 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccsc3)C2=O)c(OC)c1 917665127 UYZUABGFHRWDRE-QFIPXVFZSA-N 495.626 5.234 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c1 917668441 YTQRQILQXOEXNY-RJGXRXQPSA-N 497.064 5.236 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)(C)C)CC2)c1 917669024 LJXNGRQCCYXEJC-QHCPKHFHSA-N 478.662 5.218 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3o2)C1=O 917675654 UITUHVSKUSVBKZ-XMMPIXPASA-N 485.565 5.602 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccc(C)n3)C2=O)cc1 917681803 CUHDZZIKCRBDTF-DEOSSOPVSA-N 488.613 5.258 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2ccsc2)C1=O 917686993 KBUWLMBWPQCOTH-NRFANRHFSA-N 483.590 5.365 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c12 919207848 FDLRHRKWYOSSFD-UHFFFAOYSA-N 485.588 5.526 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 920103210 QDOXBBADDKSELI-RHSMWYFYSA-N 450.951 5.380 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 920107838 HBTTWSMEJDSQLZ-ACJLOTCBSA-N 474.369 5.618 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(OC)c(Br)c3)n2)cc1 920139604 VULKHPPLRRZEOL-QGZVFWFLSA-N 471.376 5.399 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H]1CCc2cc(F)ccc21 920170266 XZGIVNORGJMAKW-RPBOFIJWSA-N 498.583 5.023 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1nc(C(=O)OCC)cs1 920243532 RLKOPIPNHNAOSB-UHFFFAOYSA-N 457.555 5.676 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccccc2F)no1 920353243 FBUOXFJWTXQUOC-FQEVSTJZSA-N 486.956 5.244 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccc(F)c(F)c2)C1=O 920353772 RRBRAOZTSOBGNP-HSZRJFAPSA-N 495.551 5.442 30 20 JKED CCOc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3ccccc3c2)cc1 920358798 BINPCEUJPLPWSR-DEOSSOPVSA-N 473.598 5.039 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)c2ccccc21 920429424 MXDDUVZHTZEJIB-UHFFFAOYSA-N 452.470 5.716 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Cl)cc1 920807134 YSMIENVBUKBGEQ-YJBOKZPZSA-N 459.905 5.185 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 920868106 INMRJDUDIXRVSB-IIBYNOLFSA-N 474.026 5.200 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 920872380 DHWJMECHIUSQKA-GOSISDBHSA-N 476.964 5.723 30 20 JKED N#C[C@@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 920875836 PEQBWMPFAFSNGK-INIZCTEOSA-N 475.492 5.920 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC)c(OCC5CC5)c4)CCC3)cc2)C1 1785810355 OPKFIHZCOLSFPZ-UHFFFAOYSA-N 460.574 5.198 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(Cl)c(F)c3)cc2)CCC1 1785995226 ZTVMVRUUQSPAJB-UHFFFAOYSA-N 458.961 5.139 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)CC(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1787664662 GITGKDAXSOYNCU-OAQYLSRUSA-N 457.615 5.026 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Br)cccc4n3)CCC2)cc1 1787887736 VTWRFIGNILSYSL-UHFFFAOYSA-N 477.362 5.049 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccnc4ncccc34)CCC2)cc1 1789510063 XPIBLOWUEHIGHU-UHFFFAOYSA-N 484.676 5.429 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1789560379 AGYQKRFDLARQAY-MSHUQIKOSA-N 494.979 5.098 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cccc4ccccc34)CCC2)cc1 1790511434 GDIOBDXANFJFRL-UHFFFAOYSA-N 456.542 5.097 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H](c3ccccc3Cl)N(C)C)CCC2)cc1)C(F)(F)F 1791305258 HWIROHDAGKMXGD-FQEVSTJZSA-N 479.930 5.195 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Cc4ccco4)cc3)CCC2)c1 1791913654 OICVZAOCEQQILE-WOJBJXKFSA-N 455.558 5.533 30 20 JKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)o1 1791949737 KUEQYGAJCNQHDC-UHFFFAOYSA-N 471.557 5.237 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204013 GYNRLRIEMHAGPJ-FQEVSTJZSA-N 483.634 5.355 30 20 JKED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1793616385 NTGFFFNACBCQBL-RJESQKRESA-N 488.653 5.838 30 20 JKED Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)ccc2C(F)(F)F)C3)c(C(F)(F)F)o1 1795139780 IHSLYZBFSPAWKT-BTTYYORXSA-N 492.391 5.330 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2)c1ccccc1 1798555698 NBCNLCOXVYEVLL-KAOXLYBCSA-N 474.988 5.535 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1ccc(Br)cc1 1800025594 KDWADLWUDWXLOR-KOUNCHBCSA-N 489.454 5.015 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3scnc3c2)[C@H]1c1cccnc1 1802499885 UGCZAVGLJKRLOG-OFNKIYASSA-N 462.619 5.003 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803219888 HEORFTJQYNSAKK-ZZKVGJHZSA-N 478.036 5.128 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1804380644 SUQVZOYJGZDOCU-CEDXOUEASA-N 468.601 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)C3)CC2)c1 1804749168 TWKGAPCAGQXLPU-IBGZPJMESA-N 489.019 5.607 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC)c(OCC4CC4)c3)CC2)C1 1804866587 JFOXKBXVDHJPEH-UHFFFAOYSA-N 482.665 5.321 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Br)cc3F)C2)CC1 1805126477 AQIXXSJWHHZTFD-LJQANCHMSA-N 477.418 5.201 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)C2)CC1)c1ccccc1 1805947035 NOULZSDZYGBIMY-ZGIBFIJWSA-N 498.667 5.227 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1809212476 LIIPXGIOMHZVAZ-NEKDWFFYSA-N 498.671 5.613 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)[C@@H]1c1cccnc1 1810493020 TXDDNFKUXTVXDX-NTKDMRAZSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)[C@@H]1c1cccnc1 1810494810 HGVXDOQCQSJMTP-AJTFRIOCSA-N 472.633 5.112 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(CC(C)C)cc3)[C@H]2c2cccnc2)c1 1811629966 SDNFVDGQPNVURJ-IXCJQBJRSA-N 480.612 5.094 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(CC(C)C)cc3)[C@@H]2c2cccnc2)c1 1811939367 IJRVSDSFDPGWBL-XTEPFMGCSA-N 480.612 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2OC)[C@@H]1c1cccnc1 1813915666 CRJIDRQSZRQLLK-UGKGYDQZSA-N 470.013 5.056 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813955796 WYWWHHNMWSFKNU-YTMVLYRLSA-N 465.597 5.262 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1813963065 KKFDHKRZNHTSDV-WMZHIEFXSA-N 489.513 5.328 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814739333 ZBWQDRAZAFQFKT-XMMPIXPASA-N 487.629 5.007 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)[C@H](C)CC)n[nH]1 1816847281 LEBGHDFMNOYOSJ-WIOYSNFSSA-N 466.626 5.215 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)oc2ccccc12 1818569052 UEQLKLIYENCCHH-TZZQJPOUSA-N 488.569 5.271 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)[nH]n1 1819302379 DKCCOAMXANQCFV-UWJYYQICSA-N 474.964 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2)[nH]n1 1819309250 PXFCDNDVMLRAAB-ICSRJNTNSA-N 458.509 5.085 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[nH]n1 1819311177 OWTFJRQIBOOZGO-CGBFIWBNSA-N 466.548 5.539 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384637 VBMASHVOOALRNK-NRFANRHFSA-N 497.741 5.274 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccoc3cn2)[nH]n1)c1ccccc1 1819520488 JSYUGSOWXMDDJO-ZJSXRUAMSA-N 481.556 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)[nH]n1 1819555905 IYSKAQJHSRIUNZ-JOCHJYFZSA-N 493.608 5.055 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c1Cl 1820220850 DPFYDMNEQMTVFF-IBGZPJMESA-N 486.334 5.347 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)[nH]n2)cc1 1820548496 CGJAODZDDSYEKH-VWLOTQADSA-N 491.551 5.693 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(F)c(OCC)c2F)n[nH]1 1821295330 OOLWJFLCDJWRSJ-IBGZPJMESA-N 490.526 5.300 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sc(C)cc4[nH]3)[nH]n2)c1 1821326025 ZWCRUDLFJJSADI-OAQYLSRUSA-N 472.574 5.061 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821542219 YRDURFQXCGPMIG-HXUWFJFHSA-N 451.958 5.044 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)n[nH]2)C1 1821856955 IEDVWCXZAYKJFI-FYYLOGMGSA-N 455.002 5.461 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4cc(F)ccc4s2)CC3)cc1 1823498684 QWZFUNFGVJYNQJ-GOSISDBHSA-N 490.585 5.103 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCC(F)(F)C3)CC2)cc1C#N 1823698613 ZWCROKPRCKOWPC-GMAHTHKFSA-N 487.591 5.014 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(OC)ccc3o2)CC1 1823752236 MZCYYLSJGHYCNI-QHCPKHFHSA-N 466.622 5.667 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)CC2)c1 1823782731 QKYHYPZMNXLOGO-AJTFRIOCSA-N 469.629 5.279 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)CC1 1824155475 OSIMLHJGUNZYDT-FTJBHMTQSA-N 479.665 5.184 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1824538672 RSFFTMCHNHKOFR-OXJNMPFZSA-N 450.695 5.151 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824956799 SWJLPNKMVCYPPI-DGSRBQDKSA-N 480.596 5.258 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccnc2C)CC1)c1ccccc1 1825047751 ZCNMBTXOBBRVFM-URLMMPGGSA-N 485.672 5.140 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827332013 MXNVAGAJEYOPRL-SANMLTNESA-N 457.618 5.094 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1827736084 TYYMHCIWBGSJQA-GCJKJVERSA-N 487.019 5.110 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827778121 ALNGQNSQSXAWAT-NRFANRHFSA-N 485.616 5.240 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827997508 SOJRZOCZDPDCAQ-LJAQVGFWSA-N 479.624 5.549 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)c1 1828996716 RAWFDSMCOHICPD-QRGYCXFASA-N 498.627 5.002 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cc3ccc(F)cc3)c2)CC1 1830450714 SAEZOYFVPPVMMI-HHHXNRCGSA-N 460.593 5.063 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1830770891 KPWRPHSAQUFRHA-DEOSSOPVSA-N 483.534 5.433 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)cc1 1830911732 IXYDFPJWSWFWTC-VWLOTQADSA-N 455.558 5.046 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830979693 IETTUKYZHCFKJN-KNQAVFIVSA-N 469.651 5.244 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2N2CCCCC2)CC1 1831373141 BBJPERGHLCTXKA-RDGATRHJSA-N 451.655 5.122 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1832028040 DOROQABSLNFAPM-QHCPKHFHSA-N 499.030 5.092 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1 1832629884 DRQICGFIGOTAQA-GAJHUEQPSA-N 486.538 5.208 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3F)CC2)c1 1832633938 PDKPYOYNJWWROR-IQGLISFBSA-N 465.544 5.139 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707730 IKAGVQNBNOOFMU-IIBYNOLFSA-N 454.508 5.290 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2-c2cccc(Cl)c2)n(C2CCCC2)c1C 12478254 DYDGTTZDPBKJGG-UHFFFAOYSA-N 454.987 5.057 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247958 PXVBZWNKFNJBFH-UHFFFAOYSA-O 479.840 6.051 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2cccc(C)c2)c(Cl)c1 15248362 SPOVNTLDXAKQIR-UHFFFAOYSA-O 467.998 5.375 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2cccs2)nc2scc(-c3ccccc3)c2c1=O 16715377 UORWDLBUFDCIRP-OAHLLOKOSA-N 467.641 5.170 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(Br)cc1 16832656 UDSLGRLLBVCCFD-INIZCTEOSA-N 485.451 6.136 30 20 JKED C=CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 17724533 UHCARURPSJXAQA-LJQANCHMSA-N 467.641 5.294 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nc2sc(C)c(C)c2c1=O 18773987 KBEJHUACERIYAB-UHFFFAOYSA-N 482.656 5.424 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(F)cc1Cl 21121721 RERRMMVKZKDWIO-CYBMUJFWSA-N 464.925 5.094 30 20 JKED N#CCCN(CCC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 22564174 ONLDLCGDCDXELX-UHFFFAOYSA-N 499.427 5.048 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 22731751 HFFAMGNACHKHMN-UHFFFAOYSA-O 465.542 5.856 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 23209193 XJSZKFSKKSBAMX-SFHVURJKSA-N 489.551 5.640 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc(OC)cc1 23998303 PNLVIAMLKHQVHW-QFBILLFUSA-N 454.621 5.046 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccc(OC)cc1 23998334 UJWAGLYVADKOBC-OAHLLOKOSA-N 474.989 5.071 30 20 JKED CCOC(=O)CSc1nnc(/N=C(\O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)s1 24361499 VHRSTQBPZZUYTF-UHFFFAOYSA-N 488.538 5.280 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1C 28793395 FNHXKODRERNKLJ-UHFFFAOYSA-O 488.677 6.175 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2cccc(C)c2)c1C 28793568 IYYMEZRORZKXMD-UHFFFAOYSA-O 472.537 5.082 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 71938876 FJHGGRDURVWRPO-UHFFFAOYSA-N 476.989 5.249 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 108012799 XDQRQDZULMXEIL-UHFFFAOYSA-N 474.923 5.562 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 195652850 NFCLSPITPBKLBB-CZUORRHYSA-N 486.931 6.238 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 250688765 IEVKIYCHBZONOX-QLXWVXHUSA-N 499.656 5.140 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 303184312 LHGXEZUEZLNGSW-NDEPHWFRSA-N 475.548 5.556 30 20 JKED N#C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1Cl 303358138 GRHCABYGDABVIT-AWEZNQCLSA-N 453.738 5.170 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 410238630 OLTJIFAWJPLDDE-UHFFFAOYSA-N 458.937 5.182 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2C)nnc1-c1ccc(Cl)cc1Cl 484264624 OJDNVJQSZMPWQO-UHFFFAOYSA-N 490.416 5.436 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 487919847 UOQPHAJQJWWDFT-UHFFFAOYSA-N 455.411 5.154 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 488028519 NUJCZPBBCQRQPJ-UHFFFAOYSA-N 496.007 5.493 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)c(Cl)c1 497927043 KXNCMNGCJQEVCJ-UHFFFAOYSA-N 483.355 5.085 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OC4CCCCC4)CC3)cc2Cl)cc1 498001996 KJULFKOIILGCKE-UHFFFAOYSA-N 453.970 6.350 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1CSc1ncccn1 499392002 COYYUAPGVYUOHY-UHFFFAOYSA-N 456.571 5.685 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3sc(-c4ccccc4)cc3c(=O)n2C)c1C 501625121 FZFKARLXOIQYQB-UHFFFAOYSA-N 488.638 5.318 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501706701 LZECHVAMISNFGE-UHFFFAOYSA-N 495.004 5.047 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2(c3ccc(Br)cc3)CC2)cc1 503280442 AHTPBAIGUKHPGD-UHFFFAOYSA-N 476.374 5.905 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 507979437 HFDRPCXLZZUGGV-FQEVSTJZSA-N 484.556 5.918 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 508305038 WDIJZBWBHZZMBS-UHFFFAOYSA-N 458.493 5.372 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 508364377 YUJZKWQMGZPSCJ-UHFFFAOYSA-N 472.524 5.004 30 20 JKED C=CCn1c(SC[C@H](O)COc2ccccc2Cl)nnc1-c1ccc(Br)cc1 508374377 DMMLRRIHPNZCEY-MRXNPFEDSA-N 480.815 5.079 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1cccc(C)c1)Cc1ccco1 512276065 CEWAMGFCYKVAFV-UHFFFAOYSA-N 483.362 5.229 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 512485926 JSMNNRCGYJQDRU-IBGZPJMESA-N 477.609 5.108 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Br)s2)nnc1-c1ccc(Cl)cc1 514836095 QAYZPSNPWSIGAO-UHFFFAOYSA-N 497.871 5.359 30 20 JKED COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n[nH]1 517448743 IQFJUZHNCAFUOF-CYBMUJFWSA-N 474.011 5.259 30 20 JKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517461919 SRVPWNIYJHQCCG-GFCCVEGCSA-N 455.483 5.739 30 20 JKED COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 518012784 BWYOPCWEBHEUGQ-QGZVFWFLSA-N 458.518 5.065 30 20 JKED COCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 518683575 YEDZASWHOHAQOS-IAGOWNOFSA-N 465.541 6.199 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H](Cc2ccccc2)C1 519437419 BQFBKUOLMUAIIV-GOSISDBHSA-N 475.536 5.131 30 20 JKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(OC)cc2)cc1 520196116 XTLPLZXNDSCMJL-UQBPGWFLSA-N 475.614 6.204 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 521649924 LIVJMAPLJFAYKR-UHFFFAOYSA-N 476.048 6.428 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 521739591 HPUVEAXIATXIDL-UZLBHIALSA-N 475.536 5.649 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 548892745 FVSGXLWKQDXKFS-UHFFFAOYSA-N 451.313 5.795 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603527050 HJKDXEPTLCCXHA-UHFFFAOYSA-N 474.483 5.139 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NCc3nc(O)c4ccc(C(F)(F)F)cc4n3)c2)c1 603580049 KUMFSAVWNJKYTB-UHFFFAOYSA-N 477.442 5.153 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2C(F)(F)F)c1 603738924 IQDQJLYCQMPUFS-UHFFFAOYSA-N 477.446 5.819 30 20 JKED CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603758567 PGUDFKARRRUKKB-UHFFFAOYSA-N 493.532 5.059 30 20 JKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 603993471 XUJDBVCQRMPWJK-IBGZPJMESA-N 455.583 5.976 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)nn(-c2ccccc2)c1N 604087778 SUWJWPSRIMBYBM-UHFFFAOYSA-N 470.508 5.012 30 20 JKED COc1ccc2cc(CNC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc2c1 604136342 AVAQYJXXBXFGRP-VWLOTQADSA-N 483.955 5.412 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 604317388 ZHTRGMLLVVDJIC-QHCPKHFHSA-N 463.578 5.326 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)c1C 604445265 QAGVXLATCCDKND-KRWDZBQOSA-N 492.507 5.249 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 609060519 GLXVTOGLMOXKPZ-SANMLTNESA-N 489.984 5.667 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 609079297 VCAZLCIMEMPLNJ-UHFFFAOYSA-N 476.580 6.557 30 20 JKED COc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(OC)c1OC 609079970 MOAJCRZKUMNVLJ-UHFFFAOYSA-N 481.936 5.138 30 20 JKED CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 609111958 XABQEXWPZLESPB-AREMUKBSSA-N 459.521 5.118 30 20 JKED COC1CCN(C(C)(C)CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 609355786 XMCAYGZIZPLENW-JOCHJYFZSA-N 455.002 5.006 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(NCc2ccccc2)s1 609371112 ZTGCIOTXMUXDIF-OAHLLOKOSA-N 455.634 5.275 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CCOCC1 609438483 HIKWVZQCJPCLKV-MRXNPFEDSA-N 474.424 5.671 30 20 JKED COc1cc(CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)ccc1OC(F)F 612314692 ZZMMUOJIQAGTSM-UHFFFAOYSA-N 468.422 5.041 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319633 INQPSGSOGQKCBZ-NRFANRHFSA-N 475.932 6.345 30 20 JKED Cc1cnn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)c1 613344358 JAALMUGKKRHQFZ-SFHVURJKSA-N 453.354 6.101 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nc2sccc2c1=O 614507255 BRTXRCYFMKFYBB-UHFFFAOYSA-N 472.592 5.217 30 20 JKED Cc1ccc(-c2noc(CCC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)cc1F 615939918 LMEFGUABYHMTKZ-CHWSQXEVSA-N 467.385 5.142 30 20 JKED O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622379441 UNWBSHOVEOYASX-UHFFFAOYSA-N 469.756 6.530 30 20 JKED COc1ccc(OC(F)F)c(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 642636113 BWKGJMDIHDRTBZ-MYJAWHEDSA-N 450.326 5.328 30 20 JKED Cc1c([C@@H](C)NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 642956245 UIISGFGDEDWOIG-UYHMYPTGSA-N 480.428 5.590 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 726321132 AVKWQGJCUKYWBK-IBGZPJMESA-N 483.540 6.680 30 20 JKED COC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccccc1 726321917 CAYSNPQGOMZLFF-WMLDXEAASA-N 498.033 5.384 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3nc(C)c4ccccc4n3)C2=O)cc1 726401245 SHBLUVWKOZIMTH-XMMPIXPASA-N 495.608 5.407 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726402143 VVKSGIIIFNBZJR-ICSRJNTNSA-N 463.525 5.170 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2Cc2ccco2)c1 726412729 SXDUCVRIJIKHSK-JOCHJYFZSA-N 493.972 5.083 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@@H](C)c1cccs1 726419803 JRKRDOODPLZVJH-WLFAEHHCSA-N 480.055 5.136 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)s1 726571279 QNQBLXILGYJXGU-UHFFFAOYSA-O 469.055 6.490 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Br)cc2)[n+]2ccc(C)cc2)c1 726572437 FFMSUSOGWMETLD-UHFFFAOYSA-O 450.381 5.350 30 20 JKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 726695517 GMLOJJCMSMFSJA-CPJSRVTESA-N 458.993 5.952 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cc(OCC)ccc1OCC 726905862 LPYVCSUBDWKOKO-UHFFFAOYSA-N 467.404 5.771 30 20 JKED Cn1cc(C=NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(-c2cc3ccccc3o2)n1 727058823 XDTQPZQIUMENPG-UHFFFAOYSA-N 471.542 5.080 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cs1 727267396 SODNRRPVLYUTHZ-LGMDPLHJSA-N 475.570 6.303 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3ccccc3C)cc2)cs1 727781145 FTVQMRNJRATMFS-LFIBNONCSA-N 486.568 6.750 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)NCCc2cccs2)cc1 727814889 SBGVGSKVQJKVNT-UHFFFAOYSA-O 494.706 5.438 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nc4ccc(Br)cc4s3)o2)cc1 727983242 AZRJVEHLXRJYAJ-UHFFFAOYSA-N 454.305 5.355 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 728740060 ZQWSPXRJQVOLAD-FQEVSTJZSA-N 494.592 5.470 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CCCCC#N)C2=O)cc1 728776209 MVFPJXAOODUYHD-RUZDIDTESA-N 499.640 5.560 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1-c1ccccc1 728778584 DIYBSGFGDLWLBY-RUZDIDTESA-N 482.609 6.008 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1F 728780593 UWQQGVLNBPSBAH-QHCPKHFHSA-N 492.551 5.772 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(NC(C)=O)c1 729633860 GXRNUYLCGLHUGO-JOCHJYFZSA-N 484.597 5.181 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)cc1OC 730459520 KMOKRZVXCMVIHN-HXUWFJFHSA-N 491.972 5.009 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2cocn2)c1 730711366 DBBZEMYWPXCISM-IBGZPJMESA-N 488.491 5.162 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1[C@@H](C)c1ccc(C)s1 730715070 AYJWTKGYAKVDKW-JXFKEZNVSA-N 479.631 5.130 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)n(Cc2ccco2)c1C 730878632 SJSMNSAEXNUFFQ-ZEQRLZLVSA-N 467.525 5.057 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 731078837 RGDWQWSOGNHCKW-ZTFGCOKTSA-N 473.392 5.129 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1c(Cl)ccc(C)c1Cl 731311625 FDHVGJSOJBROCT-QGZVFWFLSA-N 496.416 5.004 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)c1 742792073 DUYGAJMIEPZSJA-UHFFFAOYSA-N 484.643 5.041 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC2)C1=O)Nc1ccc(F)cc1F 745989268 OQQAGNIMYYDKFI-KRWDZBQOSA-N 470.328 5.394 30 20 JKED COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(SC(F)F)c(OC)c3)cs2)cc1 746347375 ZIVWEPGKWRCWAR-RUDMXATFSA-N 463.527 5.950 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2)n1 748036089 KDUKVOGKJZERJI-NRFANRHFSA-N 495.004 5.213 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1 750393887 AWJHGFMRGURGJG-RHSMWYFYSA-N 485.972 5.148 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)c(Cl)c1 799213959 BIDSOPKZWVOMDC-QGZVFWFLSA-N 497.951 5.387 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 904315575 RJFOEEULQWIWOO-UHFFFAOYSA-N 455.396 5.259 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccc(Cl)cc2)c1 912822839 MKRSSEXXKSFDPD-UHFFFAOYSA-O 481.041 6.056 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2F)c(C)s1 914689859 BSFLZASLJWGFNC-BLVKFPJESA-N 463.575 5.005 30 20 JKED CCn1cc(C(=O)O[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)c(=O)c2cc(Cl)ccc21 914983661 XKTFVDFZFSFDPC-HUSFYUSLSA-N 478.976 5.101 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 915282813 XIJCZUUUSFMEQO-UHFFFAOYSA-N 461.493 5.876 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 915860110 JCFMVZQRKDUUDV-UHFFFAOYSA-N 457.490 5.205 30 20 JKED COc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 915991688 IFULDOUNGCAPDH-WEVVVXLNSA-N 464.880 5.273 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N(C)C)cc2C)c1 916056176 FABROWPJKJBGJE-UHFFFAOYSA-N 484.021 5.348 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)c(Cl)c1 916206133 WOOMIVZDXNCGCR-IBGZPJMESA-N 481.952 5.005 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C(F)(F)F)c1 916217241 IRLIZMLTEPTSDT-QGZVFWFLSA-N 471.451 5.354 30 20 JKED COc1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccnc1 916592583 PNDBGYVTJNIFQZ-UHFFFAOYSA-N 463.493 5.016 30 20 JKED N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 916848824 IMKCLDASZMBOIG-XMMPIXPASA-N 473.492 5.415 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CSc1cccc2cccc(Cl)c12 916902348 FVLSADDFDGQYDH-HNNXBMFYSA-N 473.381 5.903 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 916954572 JGOBSSHYBOLOTN-OPAMFIHVSA-N 489.645 5.386 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1 916975250 AYDNUXJDQKXVEE-HXUWFJFHSA-N 480.014 6.405 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c1 917677874 ZGAKFGKDUURYQT-PQNGQFLHSA-N 494.636 5.030 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C(C)C)c1 917714431 VYSOIUGFNSSWGQ-QFIPXVFZSA-N 453.608 5.034 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc(COc2ccc(Cl)cc2)n1 918709481 MFUBZKNDLZQGDZ-UHFFFAOYSA-N 493.013 6.005 30 20 JKED CCOc1cc(/C=C2\C(=O)c3ccccc3C2(C)C)ccc1OCCn1c([N+](=O)[O-])cnc1C 920070337 OQEWIKYUUHAURA-KGENOOAVSA-N 461.518 5.135 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2c(C)cccc2C)no1 920351586 BVNWPEJZTCEFME-NRFANRHFSA-N 497.020 5.722 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1c(C)noc1C 920352610 QTZIGUAZVOPVHK-NRFANRHFSA-N 480.565 5.208 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 920892783 QALBSIBPJLQBSH-QFIPXVFZSA-N 499.615 5.255 30 20 JKED Cc1nc(SCC(=O)O[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)c(C#N)c(C)c1C 924286887 IZPRTDSQUCROBQ-CQSZACIVSA-N 476.480 5.344 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3cccc(Br)c3F)CCC2)cc1 1786676225 BCSVWGGWSLDDLJ-UHFFFAOYSA-N 491.426 5.184 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4nc(C(C)C)cs4)cc3)CCC2)c(C#N)c1 1787004252 NMNRTBHZTNOOKR-UHFFFAOYSA-N 488.613 5.137 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC(F)(F)C4)CCC3)cc2)c(C(F)(F)F)n1 1788356684 YXJDKSWMIYUFQY-CQSZACIVSA-N 492.448 5.155 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cnc5c(Cl)cccn45)cc3)CCC2)c1 1788386683 GYIGQGOZODCZHL-UHFFFAOYSA-N 483.959 5.229 30 20 JKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)[C@H](S)C(C)C)CCC4)cc3)ccc2s1 1789046573 YLXQKNHXSREXSH-OAQYLSRUSA-N 453.633 5.307 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccn5cncc5c4)cc3)CCC2)cc1C#N 1789349099 ZVZHJKJNSYZYFU-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccn5cncc45)cc3)CCC2)c1 1789361999 OMLZSCDHIDULLF-IBGZPJMESA-N 463.541 5.023 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1 1789516504 ZUGJHOWPLFJKGW-OKCVXOCRSA-N 490.501 5.064 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cccc(OC)c45)CCC3)cc2)c1 1790075584 IIHNDEGHXXWRFL-UHFFFAOYSA-N 494.551 5.118 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1 1790266101 NMIYNMORWRUJOV-JOCHJYFZSA-N 496.007 5.004 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccnc4)CCC3)cc2)cc(C(F)(F)F)c1 1790784932 CJDSSJACNFPOHM-UHFFFAOYSA-N 492.501 5.353 30 20 JKED CC(C)N1CCC[C@H]1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790787740 SXFNJFZJHUNLOF-QHCPKHFHSA-N 498.549 5.198 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3cccc(O)c3)CCC2)cc1 1791587541 PFNGLFZOYIMYMW-HSZRJFAPSA-N 493.604 5.058 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)cc1Cl 1792140230 PVGZVKYRVVRRNK-UHFFFAOYSA-N 473.960 5.211 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)c(C)n1C 1792168468 FCHSSXURZDNANL-UHFFFAOYSA-N 484.600 5.362 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1C(F)(F)F)c1ccc(C#Cc2ccccc2)cc1 1797019436 LAGNBLZZJJVJIM-NUNAXRQHSA-N 492.497 5.264 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1Cl)C2 1798334229 QCMJXZQFIMGZNH-FZKCQIBNSA-N 472.910 5.518 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C2 1798592975 ZRMJBVAOGHWMFJ-BXXSPATCSA-N 489.701 5.044 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccccc3)CCC2)[C@@H]1c1cccnc1 1802501134 HPAXLDLIZIGEJU-UKILVPOCSA-N 459.634 5.202 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1803087847 FKYPHEBDJQGVDI-RSXGOPAZSA-N 477.674 5.265 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)CCC2CCCC2)[C@H]1c1cccnc1 1806205218 ZXECFPUAIHHUSA-SHQCIBLASA-N 467.730 5.109 30 20 JKED CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1ccccc1 1806272480 RVLQDRZFFPWONO-PBWSGDRGSA-N 489.736 5.332 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H](CCC)n2cccc2)[C@H]1c1cccnc1)c1ccccc1 1808341010 CHRGINBIDZMADD-GIFPIDKJSA-N 496.655 5.128 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1810172706 BTJDDSHKGKIYQY-CRXYYGHGSA-N 496.655 5.577 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@H]1c1cccnc1 1810492529 OUJFZTLNMHUFBX-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810944744 YAIXABGROMXKLV-REWPJTCUSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1811767478 UKLDFELYFOBPAR-KNQAVFIVSA-N 473.539 5.412 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1812072455 TZUQUTMYRMBYMG-OFVILXPXSA-N 491.035 5.595 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1812672035 PJMVZCJLAMFPEC-GCJKJVERSA-N 496.385 5.238 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1813960081 BATHMOCBJVSTKK-WBWMCNGVSA-N 490.648 5.276 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1814258423 RZSPWPPRDKJFBQ-KIZDAVOYSA-N 484.644 5.583 30 20 JKED CCOc1ccsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814343907 GRNWVXUTPQOTIN-UZLBHIALSA-N 477.590 5.117 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ncc(Cl)cc3Cl)n[nH]2)c1 1814372164 XJDXVUWRJASDFP-JLTOFOAXSA-N 497.386 5.358 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814379703 NPVPNIJUDFJZLN-FQEVSTJZSA-N 499.493 5.140 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)[nH]n1 1814829259 CCDQVHJBRYKAOJ-RUZDIDTESA-N 469.589 5.546 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)n[nH]1 1814922678 GVBTWUKZHDVAGA-SFYKDHMMSA-N 468.548 5.252 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)[nH]n1 1815204814 JJDUXQDEFDWSCS-AMZDPNTKSA-N 466.626 5.215 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)sc2c1 1816627306 VJIUPDMFMREFGX-JOCHJYFZSA-N 498.612 5.138 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(CC(C)C)oc3ccc(OC)cc23)n[nH]1 1817711469 MLWVVXOZQMYXKX-FQEVSTJZSA-N 464.566 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817755510 RWOIBDUVRRCAIT-SIKLNZKXSA-N 493.995 5.792 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114199 MYBWBURFOXVREC-YXBWYFRISA-N 482.993 5.178 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C)cc2C(F)(F)F)n[nH]1 1818343623 FGLCRCIHQBQIQO-GOSISDBHSA-N 465.520 5.065 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(C)c2F)n[nH]1 1818435699 ZZPQNIWRLNHIAD-INIZCTEOSA-N 499.331 5.137 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)nc2ccccc12 1818653953 QGWLZVITKAMHNV-AREMUKBSSA-N 492.583 5.077 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(OC)ccc3o2)n[nH]1 1819000339 XWLQDOVWHWROLB-OAQYLSRUSA-N 462.550 5.239 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cnccc34)n[nH]2)c1 1819129905 QXDCNKMYOSBRBN-IQGLISFBSA-N 478.556 5.205 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)[nH]n1 1819303954 URFMSURANUEMCB-RBBKRZOGSA-N 473.577 5.447 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)[nH]n1 1819555409 FTYBORZOASIMPE-SFHVURJKSA-N 463.504 5.122 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c1Cl 1821120851 GZCXAGISMITVBV-SFHVURJKSA-N 486.334 5.347 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(Br)c2F)[nH]n1 1821917564 WZVPVBMFLHGBTP-DNVCBOLYSA-N 491.405 5.148 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)cc(C(F)(F)F)c1 1822961605 XKOBPYJSFMGMPW-MHVXWQKQSA-N 499.537 5.576 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)c1 1823218165 PLRYXVVGJOLYJI-KSFYIVLOSA-N 495.505 5.675 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)n[nH]2)CCC1 1823309962 VWUQNZNGJUAGRI-KRWDZBQOSA-N 479.890 5.082 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)C1 1823699990 CYYUMSSEGJDNLE-HSZRJFAPSA-N 484.438 5.130 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1823811213 AACVYOAODDHEQJ-SANMLTNESA-N 490.047 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1824144017 ZAGLWOHGLSBTOB-RPWUZVMVSA-N 489.701 5.068 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCc3ccoc3C2)CC1 1824291495 VQMSKBHTEAUXSV-JWQCQUIFSA-N 482.741 5.055 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824829800 JAXTVKAKCFQRHG-ZSTXGWIISA-N 468.604 5.743 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 1824960241 GAUYBGPNOFXMJC-QFIPXVFZSA-N 498.611 5.057 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnccc3C(F)(F)F)CC2)c1 1825892423 FRNZWUOLLAFQNT-UUOWRZLLSA-N 498.549 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1 1826002906 ZSIUJKNRGNGRKP-WZONZLPQSA-N 498.549 5.275 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1826691599 YDARZDJZQNMFGK-IBGZPJMESA-N 488.451 5.201 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c2O1 1827516309 RNIJWCCUBSSSBI-SANMLTNESA-N 485.628 5.209 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1828268834 TYDZTYHTCJSZTB-OAQYLSRUSA-N 488.554 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ncoc4c3)CC2)c1 1828302772 YLAXFTWNDTZNDA-CLOONOSVSA-N 470.573 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1828827299 KRBVWDPAFBMIJD-WXFUMESZSA-N 489.701 5.068 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1828827545 OXRAPXPOLOSOFX-QIQWJQGCSA-N 489.660 5.578 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1828889280 LBMVATKSSSVZLI-LEWJYISDSA-N 481.464 5.108 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)CC1 1829280093 XVEQRJJVRZZNSC-OAQYLSRUSA-N 469.651 5.629 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829658443 LDFRQASSBJVGLA-IBGZPJMESA-N 490.925 5.386 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829952328 KAXYXCABTJMESC-NDEPHWFRSA-N 492.623 5.476 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1 1830007713 WJPJVCPLQFFAED-LOSJGSFVSA-N 497.680 5.006 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1830015421 OTZYOCHLFSCTAB-NDEPHWFRSA-N 478.596 5.167 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCC2)CC1 1830356553 CKTVTPQXRNDSAE-DHIUTWEWSA-N 489.701 5.046 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)cc1 1830627289 ACSXFPDMDPUDSF-QFIPXVFZSA-N 485.415 5.002 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)nc2ccccc12 1830629466 YUZMEWFFHKFPFR-MUUNZHRXSA-N 480.612 5.156 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1C 1830675434 KGYBLEIWRFLBMS-HHHXNRCGSA-N 487.644 5.050 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c(Cl)c1 1830725031 XMWXKLYPZVTYNZ-KYPHJKQUSA-N 476.020 5.249 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)CC1 1830753908 GULYIJUNYCDYQP-RDGATRHJSA-N 451.655 5.122 30 20 JKED COc1cc(Cl)ccc1CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830769973 GPFHWBGCLRKJPL-RUZDIDTESA-N 494.035 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2Cl)N(C)C)CC1 1831210585 QKMOKBGYZUQQLB-RZFJZAQRSA-N 486.100 5.331 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1831373908 IZPFKKUDTIHCJW-LAUBAEHRSA-N 484.534 5.212 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1)C(F)(F)F 1831452411 DEOFZUREKGJHJX-HXUWFJFHSA-N 477.552 5.162 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1831531559 XVGJDUAXNXSUEJ-FNZWTVRRSA-N 461.581 5.043 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1 1831787703 WAGSGZCXGJWWAJ-MZKUHISZSA-N 476.020 5.249 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1832026646 UMHAWIGISKQHJM-HSZRJFAPSA-N 480.546 5.200 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1832030716 YFBACKFZJTYFSP-HSZRJFAPSA-N 473.539 5.004 30 20 JKED Cc1cccc2c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)n[nH]c12 1832635038 ZKZOFHGPPXGILD-NLFFAJNJSA-N 483.616 5.046 30 20 JKED COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1F 1832635370 BTQVWQRIJZAXKT-KBMIEXCESA-N 477.580 5.008 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C)CCCC3)CC2)cc1C#N 1832702394 ICKAXCYVMIVKQL-XMMPIXPASA-N 465.638 5.159 30 20 JKED C=C(C(=O)N1CC2(CCCN2C(=O)c2ccc(F)c(F)c2CSc2ccccc2)C1)C(F)(F)F 1844759420 QPJRRAZOALCIFQ-UHFFFAOYSA-N 496.501 5.193 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2scc(-c3cccs3)c2c1=O 3472774 CWMKGQIIDNGMHX-CQSZACIVSA-N 478.624 5.363 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c1C 10168010 AERAVOCIPQSZGV-UHFFFAOYSA-O 487.595 6.511 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 10172712 YHNQTEHMFVAWEM-UHFFFAOYSA-O 484.331 5.639 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 11263998 HJLYZCSXWKAQMJ-UHFFFAOYSA-O 457.663 6.644 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccc2c(c1)CCCC2 14871773 RBRFCMKYYKOLCV-UHFFFAOYSA-O 494.478 6.229 30 20 JKED Cc1ccccc1-n1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2cc(Cl)ccc2c1=O 20067181 XVRIWVKPFIWPLL-UHFFFAOYSA-N 474.973 5.144 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22729489 RUYDPGIWRGEMOI-UHFFFAOYSA-O 465.642 6.541 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)cc1 23602029 CIJMZHRSZBBTFH-IBGZPJMESA-N 460.603 5.248 30 20 JKED C[C@@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccc(Cl)cc1Cl 24344979 LUGUNLAVCXALKG-GFCCVEGCSA-N 486.384 5.214 30 20 JKED Cc1ccc(CCCNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)c1 24389041 HEHLZSJWXQVJTQ-UHFFFAOYSA-N 457.599 5.269 30 20 JKED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 24499293 DNBBDLMPDBCEFO-GOSISDBHSA-N 475.639 5.488 30 20 JKED C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc(C#N)cc1 26129195 AZJJLJOYCVGEKE-MRXNPFEDSA-N 477.977 5.081 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 28782928 QQMDZUNMTSUDFU-UHFFFAOYSA-O 498.628 6.692 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCSc3ccccc32)nnc1-c1ccc(Cl)cc1 31792377 DJJJSLRVRKVGOK-SFHVURJKSA-N 457.024 5.230 30 20 JKED CCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCC 59069604 NQYKSVOHDVVDOR-UHFFFAOYSA-N 465.895 11.539 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(C)c2cccc(C#N)c2)c1 68774603 MFDHUUJJMZBWOQ-UHFFFAOYSA-N 499.514 5.235 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(OC)c1Br 72025272 HNMNMZKHBYKLEJ-UHFFFAOYSA-N 467.319 5.691 30 20 JKED Cc1cc(C)c(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c(C)c1 195556878 LYRCLBJVYSXPMK-UYAOXDASSA-N 463.990 5.618 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccccc1F 218659045 PGBWKTXLJFRKHP-VIFPVBQESA-N 472.414 5.085 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 254908875 WOPRCLXWORXIIQ-HSZRJFAPSA-N 475.570 5.205 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 302937186 IRZQUYVOBGFGQT-APWZRJJASA-N 489.066 5.602 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 303208924 QHCWGCZANBQDGB-DHIUTWEWSA-N 498.627 5.377 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 303300207 COSLSNVWMZXJQJ-OAHLLOKOSA-N 457.477 6.539 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)cc1Cl 410318410 OTBRLZYLRVDIFA-XMMPIXPASA-N 459.981 5.177 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 483382935 WZIXFGGPZKXOMN-DEOSSOPVSA-N 487.550 5.159 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCn3cnc4ccccc43)s2)c(C(F)(F)F)c1 487452851 YUUHDDQILHZQSZ-UHFFFAOYSA-N 455.465 5.003 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nc2sc(-c3ccccc3)cc2c1=O 496533666 IAHNSZXULYNHMD-JOCHJYFZSA-N 490.654 5.139 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 500739169 ORCCPSBZDZAHCW-UHFFFAOYSA-N 479.989 5.865 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1C 502240271 FXOAAZMWWJVRQO-UHFFFAOYSA-N 469.520 5.337 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1 503181375 SDKIAVJNIUPZTQ-UHFFFAOYSA-N 467.617 5.132 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 509600498 DQBCUAOXYPILHJ-UHFFFAOYSA-N 452.308 5.548 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 510284326 ZFYIQIMETGUUFQ-GOSISDBHSA-N 459.571 5.667 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 510858528 ZBCWBIZPYPRZTH-UHFFFAOYSA-N 497.599 5.064 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511443263 ZNLLSMIHBFNEFU-QGZVFWFLSA-N 468.384 6.863 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)n1 512964785 VFLBZXWYRWAXFV-OAHLLOKOSA-N 489.322 5.504 30 20 JKED COCCCCN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 513542601 GRMQRJOGYSCLNV-VWLOTQADSA-N 461.993 6.456 30 20 JKED CCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C(F)(F)F)c1 513877909 HAHOLPQKNARCFL-UHFFFAOYSA-N 471.454 6.349 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1cccc(SC)c1 514692933 KYONBEOWJCYGTB-OAHLLOKOSA-N 458.584 5.023 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccccc1OC 514954842 MFQBRTHRACBURG-FUHWJXTLSA-N 454.621 5.046 30 20 JKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 515543183 NJFLRIVICZWPGJ-FQEVSTJZSA-N 454.511 5.820 30 20 JKED Cc1c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)sc2ncc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc12 515553013 NFUOLIYSIMLJGX-ROUUACIJSA-N 493.592 5.330 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 516395235 SQPJAUDYRIMIFK-UHFFFAOYSA-N 469.610 5.194 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(I)c3)n2)cc1 516713846 KTYGAJDTFDZOFI-CQSZACIVSA-N 489.725 5.430 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 518747733 WPBPKQVLCUYCDP-QGZVFWFLSA-N 456.011 5.301 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccccc1S[C@H](C)CC#N 518756029 VSYJYPVCLKMZLP-OAHLLOKOSA-N 475.412 5.302 30 20 JKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC 519259752 CQQAMIMQTKSMPS-DEOSSOPVSA-N 457.574 5.919 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 519440525 KWJBWAJRCCWBRP-KGLIPLIRSA-N 450.391 5.403 30 20 JKED C=CCN(C(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC)c1nc(-c2ccccc2)cs1 520762887 AOXRINVKEHENST-SFHVURJKSA-N 486.684 5.694 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(c3nccs3)CC2)cc1Cl 521279676 OGABFRSFLYSOOX-HXUWFJFHSA-N 451.983 5.196 30 20 JKED CC(C)n1ncc2c(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cc(-c3ccccc3)nc21 521447022 GCUCPATWORVABH-UHFFFAOYSA-N 467.529 5.011 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC(=O)Nc1cccc(Cl)c1C 523696910 PFCCLYZLKRIGEW-UHFFFAOYSA-N 462.937 5.771 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1OC(F)F 524427444 STMQJLKLSRGMMK-QFIPXVFZSA-N 493.510 5.253 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 557728933 ZRHSTTSDMKTQPS-MOPGFXCFSA-N 469.630 5.245 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nnn1-c1ccc(F)c(Cl)c1 595213796 IPAPVZXGLXWIQO-URLYPYJESA-N 472.792 5.008 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 596385082 ARHVLBOTTGJHNI-FQEVSTJZSA-N 463.647 6.406 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C2CC2)ccc1OC(F)F 603690190 YPTKWNXWOJKIHM-UHFFFAOYSA-N 480.471 5.552 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OCc1cscn1 603764437 GEWLWRDHQNDGAJ-UHFFFAOYSA-N 458.499 5.042 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)cn2)c1 603828924 DYSSVZMYSBWDOT-UHFFFAOYSA-N 476.540 5.025 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1cc2c(cc1Br)OCCO2 603968349 MMLQKSPJAPXYPA-UHFFFAOYSA-N 455.333 5.002 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cccc(OCCCC#N)c1 603972298 IHWDYWDYIMLMQL-UHFFFAOYSA-N 471.941 6.036 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCOc2ccccc2Br)cc1 604003659 RAAMZOQVOWORLQ-UHFFFAOYSA-N 479.374 5.892 30 20 JKED C=CCN(C(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1nc(C(=O)OCC)cs1 608805903 RFYGDRRHZJXKKO-UHFFFAOYSA-N 496.972 6.131 30 20 JKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 608840735 AZIKHXMDTJTGKI-SFHVURJKSA-N 499.065 5.312 30 20 JKED N#CCCn1cc(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 608855333 IQUOLBPGTZTKHC-UHFFFAOYSA-N 485.931 5.622 30 20 JKED COc1cc(C)c(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 609080686 SCVBCYNHXBZJKT-UHFFFAOYSA-N 479.964 5.780 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)cc2F)c1 609110884 YBASULOOGTZFFL-QFIPXVFZSA-N 481.936 5.371 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 609437891 WCRIAGKOWRLVMD-NFBKMPQASA-N 457.599 5.510 30 20 JKED CCOc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)o1 611198679 FEMAJIYFSBLWJW-UHFFFAOYSA-N 487.585 5.204 30 20 JKED C=CCn1c(SCC(=O)Nc2cccnc2OCc2ccccc2)nnc1-c1ccc(Cl)cc1 612687313 NIEWBSAOKVPDDO-UHFFFAOYSA-N 492.004 5.489 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)o2)cc1 613346257 GFHGHRDQZJLIGU-SFHVURJKSA-N 481.360 7.070 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c12 613392046 CAIWEAYXQHNJMG-QGZVFWFLSA-N 455.568 5.619 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC 613403504 QEQXVKLBIXQFHX-CYBMUJFWSA-N 479.783 6.000 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)sc2nc(C(F)(F)F)ccc12 614388192 QWZBPSYFLXBBKA-LLVKDONJSA-N 485.434 6.742 30 20 JKED Cc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)s2)c(C)c1 622283172 QLYVZVHFENHJQI-HNNXBMFYSA-N 451.523 6.319 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)C[C@@H]2OCCc3ccccc32)c1=S 725782820 OVAADSXPORUWBP-QFIPXVFZSA-N 471.026 5.036 30 20 JKED O=C1Nc2c(Br)cc(F)cc2C1=NNc1ncnc2scc(-c3ccc(F)cc3)c12 725839145 MNONJZVONMDMDH-UHFFFAOYSA-N 486.301 5.167 30 20 JKED CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 726074883 ZYTUZNNZWSOSJO-UHFFFAOYSA-N 487.560 5.134 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)n2)cc1 726325070 LUGOBPJARQLXLL-YDPRHXJPSA-N 479.646 5.640 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCc3c(Cl)cccc32)cc1Cl 726402938 ICWUHLPYXCJLKQ-NHCUHLMSSA-N 499.423 5.153 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2ccccn2)c1 726411702 NYGIIFLGHQXIJO-HXOBKFHXSA-N 489.000 5.438 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccs2)c1 726412776 UDPQMXDRHYYUHX-OAQYLSRUSA-N 481.549 5.168 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3cccs3)C2=O)c1 726420242 HWRSZBIQTIODPJ-QDKFNBQJSA-N 485.656 5.408 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3c(C)noc3C)C2=O)cc1 726422011 UEGLWNMFLIEOFM-HOCQLMGASA-N 482.631 5.251 30 20 JKED Cc1c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(CO)c2)sc2ccccc12 726570583 GVOXMDBJMPZZJF-UHFFFAOYSA-O 493.033 5.838 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(F)ccc2F)cc1 726571332 SZGHEZIYFBXYIW-UHFFFAOYSA-O 470.952 6.053 30 20 JKED CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 727137180 WWZCXQGJKMLYLR-VWLOTQADSA-N 471.557 5.536 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cnc(Cc3ccc(F)cc3)s2)n(C2CCCC2)c1C 727216764 NVTIFACIBYLCJP-UHFFFAOYSA-N 480.565 5.074 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)cc1 728411893 OIBRRMVYRLGVNK-SUMWQHHRSA-N 470.360 5.357 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1Cl 728776466 BYKLCAAOUYUAKI-LJQANCHMSA-N 493.391 5.787 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)n2)cc1 729186300 IGFFRGCTUNFPRP-ICSRJNTNSA-N 468.003 5.164 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(C)C)cc1 729630842 BGQBFGHNPAADOV-RPWUZVMVSA-N 477.630 5.070 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@@H](C)c2cccnc2)c1 730943718 JWQWIMQFZPTXSF-JTSKRJEESA-N 489.557 5.020 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 731077346 INZWCVNSXDRHHA-COXVUDFISA-N 463.386 5.531 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731308315 YZRBFVAWBQFKIH-HRAATJIYSA-N 465.600 5.045 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747601771 WEJBLHLIRKZJMJ-SFHVURJKSA-N 474.970 5.096 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 747803115 HSCGFZNSMDSDPI-NFBKMPQASA-N 452.599 5.463 30 20 JKED CCOc1cc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)ccc1OCCn1c([N+](=O)[O-])cnc1C 749454459 ZQUMBOKKASNBRA-YWEYNIOJSA-N 478.480 5.094 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc2nc(SC)sc2c1 750363385 WKPWTXMFJGOIPA-UHFFFAOYSA-N 494.411 5.073 30 20 JKED CCOc1c(OC)cc(/C=C(\C(=O)Nc2cccc(OC)c2)C(=O)c2ccccc2)cc1OC 750900034 JIPSVFFREILUJJ-HMAPJEAMSA-N 461.514 5.016 30 20 JKED Cc1ccc(-n2cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c(-c3ccccc3)n2)cc1 765398968 PQAFZLMSQGGVJD-UHFFFAOYSA-N 482.565 5.259 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)c4cncs4)c3C#N)C(C)(C)C2)o1 809230523 ZSVCBHRYUZEWQV-ALCCZGGFSA-N 479.583 5.551 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2cccs2)C1=O 837300114 ROQILYFWELJQLN-JOCHJYFZSA-N 479.627 5.534 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccc3F)C2=O)cc1OC 837532323 ULAOAEXECAHJAY-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(C3CCN(C4CC4)CC3)C2=O)cc1 837637000 BABICERHNXKZBI-RUZDIDTESA-N 490.673 5.199 30 20 JKED CC(C)Cn1cc([C@@H]2N(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC23CCOCC3)cn1 849534717 OHESWSYLOGDBOG-SANMLTNESA-N 469.589 5.148 30 20 JKED O=C(c1ccc(OC(F)F)c(Br)c1)N1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F 883986506 VLEWBRRPXBDZPX-GZMMTYOYSA-N 470.154 5.396 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCC(=O)N(CCC#N)c1ccccc1 913350682 VEJZHVRFLKJNRG-UHFFFAOYSA-N 458.301 5.061 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1C 914546503 QPPHUBFPYGYQNW-YKSBVNFPSA-N 472.614 5.098 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccccc2COC(C)C)C1=O 914553927 MDODDASCPUEBCZ-HXUWFJFHSA-N 494.444 5.186 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 915086405 KAAYDGLGEFUFET-XMMPIXPASA-N 494.016 5.422 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1 915199429 AZQADUGJHDYVPH-XXBNENTESA-N 474.358 5.096 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 915446530 JIMQKXLKVNGTGI-UHFFFAOYSA-N 476.602 5.243 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 915515239 UQVRXEXHJHJRTN-HXUWFJFHSA-N 487.531 5.187 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1nc(NCc2ccco2)ncc1Cl 915811992 FVHWPKWLYGSOTP-UHFFFAOYSA-N 462.362 5.174 30 20 JKED O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 916154492 HXWXDGXNKVRIBG-MOSHPQCFSA-N 457.393 5.531 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(SC(F)F)cc1 916213861 HIPOGZKEDMMFRG-KRWDZBQOSA-N 499.992 5.261 30 20 JKED CCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)cc(Br)c1OCc1ccccc1 916292534 CGPKNGQDFFROIY-UHFFFAOYSA-N 492.373 5.327 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1OC 916326404 RUAZNXYNKQAZHX-UHFFFAOYSA-N 488.598 5.047 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cccc2ccccc12 916915718 OCDZSBGWNATRJU-AZGAKELHSA-N 461.521 5.049 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944414 DBHFPACEPPGYEY-INIZCTEOSA-N 464.255 5.207 30 20 JKED N#C[C@H](C(=O)CCNc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1 916995271 DGAXGBVHYWUBAE-CQSZACIVSA-N 461.330 5.704 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(N)=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997102 QXBDGPVDRXQFRG-DOTOQJQBSA-N 459.358 5.093 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)cc1 917384887 HBJSXWHLQCYCAH-UHFFFAOYSA-N 451.551 5.313 30 20 JKED CC(C)c1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)c1 917637096 XPXJSNBOOQQACN-QGZVFWFLSA-N 470.809 6.018 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(CC)cc1 917681910 RSWQTELEFMLFNJ-HXUWFJFHSA-N 493.551 5.265 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CCc3cccs3)C2=O)c1 917703504 NJYSWDXOGXWRBZ-HSZRJFAPSA-N 488.638 5.440 30 20 JKED CN(C(=O)c1ccccc1NC(=O)NCCSCc1ccccc1C#N)C1CCCCC1 918040935 PXRKKLPDOAQZQQ-UHFFFAOYSA-N 450.608 5.018 30 20 JKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(COc3ccccc3C#N)o2)c(Cl)c1 919515360 RMBHBFPEQVAQBI-INIZCTEOSA-N 452.894 5.185 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1C 920112855 MFKILAQZRJNQLF-CYBMUJFWSA-N 492.573 6.295 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO[C@@H]2c2ccccc2)C1=O)Nc1ccccc1 920356352 SVJRCXSFFZGTQC-RIACCQAKSA-N 499.636 5.815 30 20 JKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)cc1C 920783050 KEZVCULMSSWFAS-HELSZXIZSA-N 482.650 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CCO2)C1 1779242674 GLZVEJIBYGGTHK-PMERELPUSA-N 485.628 5.042 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)CCCCCCCCc3ccccc3)CCO2)C1 1783198089 QBTFBOSGYOVCSQ-SANMLTNESA-N 476.608 5.001 30 20 JKED Cc1ncc(/C=C/C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)s1 1785797753 JOUSQGVZDNKVMV-WYMLVPIESA-N 470.598 5.103 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)c1 1786041662 UIXAFDJRBMRIMS-UHFFFAOYSA-N 474.564 5.487 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccncc4)cc3)CCC2)c1Cl 1786768079 NESOWNMOKCRBKN-UHFFFAOYSA-N 476.989 5.147 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)CCC1 1787110174 JOKMFMATJCSQCX-UHFFFAOYSA-N 480.490 5.257 30 20 JKED Cc1cc(Cl)c(Br)cc1C(=O)NC1(c2ccc(NC(=O)CC#N)cc2)CCC1 1787647819 ZHNHCQWZQAYBAX-UHFFFAOYSA-N 460.759 5.072 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3sc4nccnc4c3N)cc2)CCC1 1788114190 VIBZIGPGJAFVOB-UHFFFAOYSA-N 463.607 5.014 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)c1 1788785727 ALEXMXMPDPEACF-KRWDZBQOSA-N 492.501 5.789 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3=C4c5ccccc5C(=O)N4CC3)CCC2)cc1 1789626142 AGNJHDPARAPVBT-UHFFFAOYSA-N 483.612 5.384 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c(-c5ccc(F)cc5)c4)CCC3)cc2)c1 1790143757 KUPUTXSJRNDBDO-UHFFFAOYSA-N 467.504 5.082 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)c(Cl)c1 1790768768 VJTIPEWSFQSRHS-RUZDIDTESA-N 469.919 5.705 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](C)CN(CC)CC)cc2)CCC1)c1ccc(O)cc1 1791071292 VRRLKLICZMWSEB-ISKFKSNPSA-N 489.660 5.001 30 20 JKED COc1cncc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792123368 WRKPJTSZCCPZMJ-FQEVSTJZSA-N 482.584 5.098 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1 1792336601 AROUDRPYOITKIB-PIIWDFAUSA-N 481.637 5.170 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2)c1ccccc1 1795575410 ZSBDWLOQDJSAFE-ZRPVRZPTSA-N 457.618 5.395 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl 1798982430 IBCRJLDGNMSXGO-MUJYYYPQSA-N 471.526 5.358 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCC(=O)OC(C)(C)C 1800207945 QCPOWDHSOBNUFW-KAOXLYBCSA-N 460.659 5.075 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(F)CCCCC1(F)F)C2 1800405317 AKNFXFKTZCANEV-YYQBIWNASA-N 480.424 5.014 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4sccc4c2O)C3)cc(C(F)(F)F)c1 1800743648 WRNSVNABRUMWEZ-BCDXTJNWSA-N 499.514 5.063 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc(C#N)c1)C2 1800788200 PAXBLKCEGQJAGB-ACDBMABISA-N 470.400 5.058 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c(C)cc2OC)[C@@H]1c1cccnc1 1802500362 MZZDIIJMZBKNKN-RCZVLFRGSA-N 463.622 5.019 30 20 JKED Cc1ccc(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(C#N)cc3)C4)CCCCC2)cc1 1802620388 GALHGVIHAGDSKA-OOSCYNTBSA-N 455.602 5.021 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1803116648 HOILFIOFRJEZLQ-BVAGGSTKSA-N 465.613 5.242 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)C1 1804866535 FPGBVSRKGDEUHC-UHFFFAOYSA-N 468.041 5.725 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1806594740 VOAKUOFTZUZNHA-URXFXBBRSA-N 487.566 5.341 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)Cc3nc(-c4ccccc4)sc3C)C2)CC1)C(F)(F)F 1806898838 NHSGHTUFXKSRCG-UHFFFAOYSA-N 491.579 5.011 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1807727488 AXMINFWEGFJCFJ-CYFREDJKSA-N 495.048 5.433 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1810172747 MLXBWXHHYOJPAZ-FKCDAAJZSA-N 484.600 5.133 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)oc2ccccc12 1811418995 DPVHPNYJBLOTIJ-CPJSRVTESA-N 498.970 5.295 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1812115648 SMHWGLZARCRYQO-CPJSRVTESA-N 491.035 5.595 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812301959 MKDFWAVSNINNJQ-RXFWQSSRSA-N 485.609 5.220 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1812438599 MVHJXOKUTSWBAZ-PLXFJCCSSA-N 478.036 5.239 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1812986269 LOPVVMSMPGQZHI-BKMJKUGQSA-N 478.036 5.056 30 20 JKED Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c1Cl 1813827827 VUQARHIDOJEXKI-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[nH]n1 1815219245 CVYIJDMXNZGDKM-YWZLYKJASA-N 491.419 5.032 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(F)cc4)CC3)n[nH]2)c1Cl 1815626241 MLOCDUODLBJWPP-NRFANRHFSA-N 491.954 5.112 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1815655534 RVPLPLPFBFUEQP-FQEVSTJZSA-N 499.036 5.450 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3nccc-3c2Cl)n[nH]1 1817919388 BJIMZXQTFMEXSV-SFHVURJKSA-N 468.989 5.189 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3ccc(Br)cc23)n[nH]1 1818664479 VATMJEJDJGWFDQ-XOBRGWDASA-N 484.398 5.172 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)[nH]n1 1819310992 HDPQKZCMVASGPZ-UZLBHIALSA-N 456.974 5.146 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2F)[nH]n1 1819387025 UZNMCWAXAWSCTL-OAQYLSRUSA-N 472.612 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)[nH]n1 1819554111 GNLNFOXJDOFFII-QFIPXVFZSA-N 491.592 5.372 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1820973282 DYYLRZNDOCCCRV-NTKDMRAZSA-N 489.576 5.309 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2NC(=O)OC(C)(C)C)n[nH]1 1821156502 VUWVGMASJBKFTP-JOCHJYFZSA-N 493.608 5.256 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1)c1ccccc1 1821271076 PMPPRFRZCDOXJG-ILBGXUMGSA-N 473.552 5.166 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821610716 XPGAMRFSARKIPA-OAQYLSRUSA-N 474.586 5.534 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1821923700 NKFUMFHRIAQHEZ-JTSKRJEESA-N 461.541 5.129 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823215113 MSHWRAPXKITYHN-WWMYMODYSA-N 493.658 5.585 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823216810 BPYZXRPBBAUUMK-UTKZUKDTSA-N 488.617 5.163 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1823810332 QSXUVDIALSOMSA-GDLZYMKVSA-N 479.624 5.116 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2Cl)CC1 1823885414 VJWGUIPWMAJUME-HXUWFJFHSA-N 499.961 5.064 30 20 JKED O=C([C@@H]1[C@@H]2CCC[C@H]1c1ccccc1N2)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826523539 URMKTYLZGVQAJD-RIOMWJCISA-N 495.667 5.036 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166211 KTIKTDGZABECBZ-PBHICJAKSA-N 451.057 5.106 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828744485 HJAGOHHOIYDGGA-QHCPKHFHSA-N 454.014 5.248 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1828827222 JYKHWGHIADHWNK-BJKOFHAPSA-N 487.566 5.579 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccco3)no2)CC1 1828905324 NUNHBJUQCZLRRN-HSZRJFAPSA-N 495.696 5.219 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1829068171 JBVGYGJBGLOKMW-QHCPKHFHSA-N 491.717 5.294 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C4(C#N)CCC4)CC3)ccc21 1829696110 YBVWONXJUPHYEP-SANMLTNESA-N 496.655 5.742 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829707395 IVVKIWUAZLCEJE-KDYSTLNUSA-N 478.608 5.317 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829998078 UTQJVPJCRFFXIR-CLOONOSVSA-N 497.561 5.880 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)CC2)c(Cl)c1 1830088095 LFJKRTRKJNITQC-QHCPKHFHSA-N 471.935 5.037 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830625304 QNBKCXCCUIPRTQ-XMMPIXPASA-N 480.008 5.076 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831310421 PLLCDWNHOLMPBA-HXUWFJFHSA-N 490.488 5.218 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1831561285 GPFQGFXEQPVMRD-GNMGOMLTSA-N 479.665 5.407 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1831848499 ISIWEVINYRQOQS-RUZDIDTESA-N 479.571 5.064 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(Br)ccc2Cl)CC1 1831851845 BCEVZBQVXTZDAF-JOCHJYFZSA-N 493.873 5.068 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2SCc2ccccc2)CC1 1831857595 QESLYLXMQGLKCU-DEOSSOPVSA-N 463.647 5.183 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719039 FITWLCLGQSDRCB-SFHVURJKSA-N 456.801 5.184 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1832918990 LXMGRUPKYJRORN-XZOQPEGZSA-N 491.717 5.292 30 20 JKED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccccc4C4CC4)CC3)CC2)c1Cl 1838535530 ACKADZSJQVWUJN-UHFFFAOYSA-N 492.019 5.015 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cccc(C)c1)C2 1841057073 QTDFWRXFKIILSQ-HSZRJFAPSA-N 497.680 5.147 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)C2)c1 1844627383 ZESGNKCMYKIWKF-QFIPXVFZSA-N 488.591 5.364 30 20 JKED N#CCN(C(=O)COC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccccc1 10693757 SIXTVJNDHWDJIO-UHFFFAOYSA-N 455.489 5.007 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1C 11439278 FARYGFGBJMIYFH-UHFFFAOYSA-N 469.900 5.163 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccccc2)cc1C 15247720 VXDMKRJECKBYSF-UHFFFAOYSA-O 454.413 5.713 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(CO)c1)c1ccc(Cl)s1 15247996 CHBQPAPVEXEZSM-UHFFFAOYSA-O 472.826 5.539 30 20 JKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)Cc1ccc(C#N)cc1 16731872 USAUUWAJFYUVBQ-UHFFFAOYSA-N 456.523 5.181 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(Br)cc1 16832698 ZTXXEURGITURSA-LBPRGKRZSA-N 479.350 5.291 30 20 JKED C=CCn1c(SCc2nc(-c3ccsc3)no2)nc2scc(-c3cccs3)c2c1=O 16986920 XJCBEDICLRGKSY-UHFFFAOYSA-N 470.626 5.776 30 20 JKED COc1cccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2-c2ccc(Cl)cc2)c1 20068869 UXPMPAXBXUJNFT-UHFFFAOYSA-N 489.988 5.393 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 21176575 URHGIWDUXBEHJF-UHFFFAOYSA-N 455.568 5.382 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccc(OC)cc1 21962069 RYSDMOIELXVAEQ-UHFFFAOYSA-N 462.547 5.185 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)cc1 22728636 RWXWCVJPSJAHIS-UHFFFAOYSA-O 465.589 6.305 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(OC)cc1 22731112 LRQTWTHVHUNHJH-UHFFFAOYSA-O 460.406 5.903 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(Br)s2)c1 25903265 FMDOVTYTFAOYLS-UHFFFAOYSA-N 486.416 5.043 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)s2)cc1 33150996 DXVBPYZYAALLQR-UHFFFAOYSA-N 497.005 5.367 30 20 JKED C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(C#N)cc1 33180126 JBZOXOQZNZVESZ-LBPRGKRZSA-N 452.358 5.273 30 20 JKED Cn1c(SCC(=O)Nc2ccccc2SCC#N)nc2scc(-c3cccs3)c2c1=O 36213156 DMHDQILCWZWONR-UHFFFAOYSA-N 484.653 5.070 30 20 JKED COc1ccc(-c2cc3ncn(CC(=O)N(CCC#N)c4ccc(Cl)c(C)c4)c(=O)c3s2)cc1 71875162 CSBLPYGCOUBOLD-UHFFFAOYSA-N 492.988 5.042 30 20 JKED COc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cc1ccccc1 106057096 UNXVQHIYQGXXLJ-UHFFFAOYSA-N 482.540 5.261 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(SC(F)F)c(OC)c2)cc(Br)c1O 214932881 MIOPPLCQRDYRAO-XQRVVYSFSA-N 459.308 5.773 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)cc1 302773263 GNEYXIFTWSUHPX-OAHLLOKOSA-N 493.976 5.239 30 20 JKED Cc1c(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cccc1OCC(F)(F)F 303182325 KWKUSCFDZRDGGM-UHFFFAOYSA-N 456.489 6.352 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccc(Cl)cc1 303288734 LZGGONSBRUJFAR-OAHLLOKOSA-N 472.039 5.601 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 409529022 NBROCIHULLHBJN-UHFFFAOYSA-N 488.401 5.615 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12 481964821 FSOOIGRRIHRUNY-UHFFFAOYSA-N 470.382 5.402 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1COCc1ccccc1 499964157 LTHXADNHDHIGHT-UHFFFAOYSA-N 450.563 6.679 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cccc(-n2nccc2C(F)(F)F)c1 501869855 IDSKQXMTAPTLIK-UHFFFAOYSA-N 475.364 5.560 30 20 JKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2)C1 502638508 WFGRVTFWYKFZNE-RXFWQSSRSA-N 474.605 5.536 30 20 JKED CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 504880827 DTFLIPKAZIFORR-HSZRJFAPSA-N 475.980 5.847 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 511069816 NYTHGOJMMPQMKA-UHFFFAOYSA-N 461.534 5.293 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1SCC(=O)NC(C)C 511567371 PLEPXZFFXGXLDW-UHFFFAOYSA-N 459.571 5.528 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 512541155 RVVVUEVKSNGTDY-UHFFFAOYSA-N 469.522 5.925 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 514074519 POUSELBXIQTOIW-UHFFFAOYSA-N 455.514 5.495 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516038899 HFJZDVIBSVVZDM-JXFKEZNVSA-N 489.000 5.763 30 20 JKED Cc1cccc(COc2ccc([C@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c1 517467244 RBPJVJIMWVQALS-SFTDATJTSA-N 487.625 5.642 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCC3(c4cccc(Cl)c4)CCOCC3)s2)cc1 517645145 NHHRWEHGOFQMDW-UHFFFAOYSA-N 466.994 5.129 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCc3nc(-c4cc(Br)cs4)no3)c2C#N)C1 518415461 BOWGKANUHIMMFA-JTQLQIEISA-N 477.409 5.190 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 518661262 WIMIJPQNKSPDPH-QGZVFWFLSA-N 483.590 5.059 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(Cc3ccccc3F)s2)cc1 518662887 VCIMLNQWKIICBX-UHFFFAOYSA-N 460.559 5.684 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cc2Cl)cc1 518668175 VBOXQQXGINTFLI-CJFMBICVSA-N 489.959 5.227 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3COCc3ccccc3)cc2)cc1 519076893 KGQWDMJIMMPZPD-UHFFFAOYSA-N 491.547 5.322 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)cc1Cl 519107127 SKIBFUPVLBQPMI-VPUSJEBWSA-N 494.982 5.370 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 520837502 XOIRFMGLYGHGTR-WAIKUNEKSA-N 454.567 6.689 30 20 JKED COc1ccc(CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[C@@H](C)C2CC2)cc1 520908230 XBFMLQJBBIZOQN-INIZCTEOSA-N 479.631 5.543 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 521102496 PILVFFLUYYQUCO-UHFFFAOYSA-N 452.942 5.116 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc(-c2c(F)cccc2F)cs1 521260998 LGYMPLWWWQLYJN-GOSISDBHSA-N 477.467 5.970 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 523375727 WNIPCIUIZLZMNU-FQEVSTJZSA-N 452.489 5.434 30 20 JKED C=CCN(C(=O)c1ccnc(Oc2ccccc2)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 523584091 GCUHPJCBCPJCAK-UHFFFAOYSA-N 491.594 5.234 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 524044024 HFFWBMFTZWWPLN-UHFFFAOYSA-N 483.012 5.297 30 20 JKED COc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc(OC)c1OCc1ccccc1 524383002 IDVHKRQUNTWQOF-UHFFFAOYSA-N 454.429 5.008 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1nnc(C)n1Cc1ccccc1 524422870 KQIFKCAPVWBFIT-UHFFFAOYSA-N 483.597 5.125 30 20 JKED COc1ccc(-c2nc(CC(=O)N(Cc3ccccc3)c3ccccc3C#N)cs2)cc1OC 561506917 SJKRQLDJTSEUAD-UHFFFAOYSA-N 469.566 5.475 30 20 JKED Cc1c(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cccc1OCC(F)(F)F 589931813 HZADCSBYZOUKIU-UHFFFAOYSA-N 461.337 5.532 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)n1 591615901 PHKMJPQFYNKDOP-UHFFFAOYSA-N 466.588 5.126 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 603566828 JZNRLAZMECXFDY-HXUWFJFHSA-N 485.396 5.156 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603624222 WVZUXSKVGHMVSN-UHFFFAOYSA-N 473.492 5.005 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 603754881 GTOODKWMAAZZEY-UHFFFAOYSA-N 498.579 5.827 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSCc1coc(-c2ccccc2)n1 603755074 NPNJQWYBPMAMRW-UHFFFAOYSA-N 471.557 6.127 30 20 JKED COc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1OC(F)F 603757407 MFPXNGJTPZEMED-UHFFFAOYSA-N 483.418 5.487 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)cn2)cc1 603764517 JUMMLXBGKMODJZ-UHFFFAOYSA-N 476.945 5.616 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3SCc3ccco3)c2)c1 603995353 GLQVUBPKVJQIFX-UHFFFAOYSA-N 453.523 5.948 30 20 JKED COc1cccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)c1 604087322 FGNNLFGJRWWRTQ-UHFFFAOYSA-N 456.546 5.099 30 20 JKED COc1ccccc1-c1nc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cs1 604502904 MXJGSQUEOOMTFG-UHFFFAOYSA-N 457.530 5.985 30 20 JKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 604554588 LTFXDBAQUGVLMI-QFIPXVFZSA-N 480.612 5.779 30 20 JKED CC(C)(C)OCc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 608798025 DUIQRNRLVRCXOI-UHFFFAOYSA-N 491.975 5.574 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(Br)ccc2Cl)CC1 608945514 FTGRVXJOVYBCMH-UHFFFAOYSA-N 475.730 5.077 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609024064 AAPGPWGMKJTFON-UHFFFAOYSA-N 457.465 5.236 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 609061829 YRWLAYULXMSLOA-UHFFFAOYSA-N 464.447 5.453 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H](OCC(F)(F)F)C3)cc2Cl)c1 609080536 NHQSSYHBRJUXOF-GOSISDBHSA-N 467.875 5.366 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 609087107 USOXRMOLOMUETA-UHFFFAOYSA-N 490.563 5.181 30 20 JKED CC(C)(C)c1csc(CCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 609255889 GITMAVNYXHLJLP-UHFFFAOYSA-N 482.993 5.055 30 20 JKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 609387298 WGWOZJIGYGCSRW-IAGOWNOFSA-N 464.616 5.691 30 20 JKED Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1C 609427477 BQGXGYHJAMRUAO-IBGZPJMESA-N 499.702 5.354 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)c1 609437009 JUSFXRGQSYMXEM-HUUCEWRRSA-N 457.374 5.945 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1 613291056 RLBLHWTVYUFRLZ-JOCHJYFZSA-N 451.551 5.764 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 613405354 ZZJQVXMOROSHMK-LLVKDONJSA-N 498.383 6.149 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CC=C 617895899 CJJSLTRKJXHBEQ-MRXNPFEDSA-N 459.040 5.541 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 617896714 ZBIUIFVTGFICJY-LJQANCHMSA-N 496.080 5.046 30 20 JKED Cc1ccc(-c2ncc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)s2)c(C)c1 622283165 LHGPFACKXRAMPS-HNNXBMFYSA-N 457.502 6.546 30 20 JKED Cc1ccc(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C(F)(F)F 623441575 GZSJTGZCAMHCJM-UWVGGRQHSA-N 457.358 5.202 30 20 JKED O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 624635898 SGEMANXCJDGZOQ-VXGBXAGGSA-N 476.364 6.032 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1nc(-c2ccc(Cl)cc2)cs1 642281687 ACRHBLHUZYPPKO-SFHVURJKSA-N 468.028 6.702 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1cc2c(cc1Sc1ccccc1)OCCO2 725795175 FDSKAJZGVOMZSA-UHFFFAOYSA-N 463.584 5.275 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cccc(C)c2)cn1 726118574 OEBDMNILYFAIBA-NRFANRHFSA-N 482.009 5.025 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCc3c(ccc(Cl)c3Cl)C2)c1=S 726184695 LMMFRKZJWJXWDW-UHFFFAOYSA-N 461.418 5.598 30 20 JKED Cn1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1-c1ccccc1Br 726323203 ZYEUCKOROMZYDA-CQSZACIVSA-N 469.289 5.689 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726407636 UEKXHLXWKAZSGK-GOSISDBHSA-N 459.358 5.011 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2)cc1 726572122 SRICHXUFKKBCLM-UHFFFAOYSA-O 463.026 6.726 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)N[C@H](C)c2cccs2)cc1 726580223 WJXZAZKKQIXBHP-GOSISDBHSA-O 494.706 6.272 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)cs1 727267835 SQAIDDMHPVGERH-JLHYYAGUSA-N 477.586 6.603 30 20 JKED Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)c4ccc(C(N)=O)cn4)cc3)sc2c1 728159981 CUWJXDNMUXEBDA-UHFFFAOYSA-N 487.610 5.032 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 728767245 YPBITERTEBPQRH-HNAYVOBHSA-N 479.631 5.295 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)c1 728776803 FSNRQWZTRLVFDR-QHCPKHFHSA-N 462.619 5.574 30 20 JKED COc1ccc(Cl)cc1-n1c(-c2cccc(Cl)c2)nn(CN(C)[C@H](C)CC#N)c1=S 728902567 SFUDRGRIXIFTPF-CQSZACIVSA-N 462.406 5.577 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)cc1F 729144753 FCLJCPDFBQMICG-LJQANCHMSA-N 486.569 5.199 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(C3CCC3)C2=O)cc1Cl 730461879 IWOUDQVAEMOOJQ-MFGGBOIGSA-N 478.039 5.352 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cocn3)C2=O)cc1 730713162 QODONDKANWBJOP-QHCPKHFHSA-N 490.585 5.161 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)c([N+](=O)[O-])c1 730944715 ZFUPZSYWWARULX-JTSKRJEESA-N 489.557 5.020 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@@H](C)c2cccnc2)c1 730944822 GLPSPDHUBVRBRE-UUOWRZLLSA-N 488.613 5.374 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730945306 PTNHCXXXCFPRGY-YADARESESA-N 490.604 5.867 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731061840 DXKFKCQHPDTSEK-CQSZACIVSA-N 486.018 5.962 30 20 JKED CC(C)c1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cnn(C(C)C)c2n1 731066723 GHDSNTGCKJYBSH-KRWDZBQOSA-N 479.606 5.325 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1 731067284 YIKKHMLNTDYGFE-KRWDZBQOSA-N 479.627 6.123 30 20 JKED COCCn1c(SCc2ccc(OCC#N)cc2)nc2scc(-c3ccccc3Cl)c2c1=O 731159571 TYXXUOUFIMIOQO-UHFFFAOYSA-N 498.029 5.619 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(F)c2)cc1F 731309760 VXRRXVHFWABKMR-JOCHJYFZSA-N 481.524 5.139 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)CCc1ccco1)c1cccs1 731311979 JHXMQLZVCJEMTQ-XPZHKMTISA-N 497.642 5.458 30 20 JKED Cc1cccn2cc(COc3ccc(/C=C4\SC(=S)N(c5ccccc5C#N)C4=O)cc3)nc12 745186526 QZCQAGJKDZOPHU-QRVIBDJDSA-N 482.590 5.499 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OCc3ccccc3)cc2)cs1)c1ccc(F)cc1F 745998569 MTPRBUZFBKMLGQ-UVTDQMKNSA-N 490.531 6.581 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 746664309 MMIWKLINPGFJTI-WGULBIPPSA-N 496.658 5.356 30 20 JKED C=C(C)COc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)ccc1OC 747063922 RJUFEPPGPKOLCR-WQRHYEAKSA-N 471.966 5.499 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 747111216 BKGIQLDICWTSIQ-KRWDZBQOSA-N 460.342 5.016 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cscn3)C2=O)c1 747601838 ICKJBZNSKJASJU-OAQYLSRUSA-N 499.061 5.882 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 747804834 UOHAGLZBNKTMDA-BWKNWUBXSA-N 482.625 5.375 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3ccc(Br)cc3F)n2)cc1 748009225 DARGUHPJAHBVKH-KRWDZBQOSA-N 486.391 5.693 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(OCC(F)(F)F)c(OC)c3)cc2c1C 750907303 WAZOFHWGGNYVTD-GQCTYLIASA-N 465.449 5.237 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1=O)NC1CC1 750917993 ZQBWKBNRDGCJHJ-HOJAQTOUSA-N 491.510 5.001 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1 753853746 ICQRVVCSGYITMW-UHFFFAOYSA-N 482.553 5.372 30 20 JKED CC(=O)N(c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1)c1c(C)cc(C)cc1Cl 775084453 PWDXQUFNDPQUJH-HJWRWDBZSA-N 465.962 5.726 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc2ccccc12 799210800 XGOYTWPMHAISED-JOCHJYFZSA-N 477.973 5.095 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c1 799222552 BFYKRJVKZSOGJN-QGZVFWFLSA-N 471.451 5.050 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 811820808 LSRZMQDFYZFERN-AWEZNQCLSA-N 497.598 5.288 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 837707942 PPWRYUQVCYAAMT-QVKFZJNVSA-N 482.968 5.596 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ccco1 838526929 FMJRUNCWDBIGRO-QFIPXVFZSA-N 463.559 5.066 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccccc3Oc3ccccc3)nc(O)c2C#N)cc1 857991981 QSVGEPAAKGRRNE-KRWDZBQOSA-N 498.564 5.641 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC)CCC)ccc1Cl 914509912 IDLPZNQUOOBFJP-UHFFFAOYSA-N 455.407 5.247 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914692433 XYBSUVZABPWURV-OPAMFIHVSA-N 463.628 5.133 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cc(C)sc2C)cc1 914694828 WGFXMDBGXSKFDI-VFNWGFHPSA-N 471.648 5.125 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(F)c2)C1=O)Nc1ccc(F)cc1F 914772778 OFWOIQDAQBYPKA-OAQYLSRUSA-N 469.488 5.264 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3cnn(Cc4ccccc4Cl)c3)cc2c1C 914773274 AYINCSHUGKFHMZ-FPLPWBNLSA-N 451.935 5.186 30 20 JKED C[C@@H](OC(=O)c1cc2ccccc2c(Cl)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 915449640 SQJWYALRRZCHBR-CYBMUJFWSA-N 453.951 5.274 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 915523901 UKKVGHMUOVBICT-SFHVURJKSA-N 499.398 5.217 30 20 JKED COc1ccccc1Nc1nc2sc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)cc2s1 915524914 VCJHDJUFKLLEIH-CYBMUJFWSA-N 478.555 5.166 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 915730778 OKTNAMIWUPSIFK-ZVJVEANVSA-N 497.598 5.694 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915786029 AJFJOWRMLIVFQE-HSZRJFAPSA-N 490.401 5.137 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc(Br)c1O 915944356 PUWGHOHDUCMPIQ-UHFFFAOYSA-N 474.767 5.437 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)c1 916207483 ZOQBIMFRSAZEQM-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c(C)c1 916207955 PQIZJULBQRAOIP-QHCPKHFHSA-N 494.567 5.180 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2C)cc1 916216317 SNYFHASFOBLMCY-DEOSSOPVSA-N 489.597 5.173 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1cccc2ccccc12 916217409 MNUQWFDZQWSDGB-JOCHJYFZSA-N 498.004 5.109 30 20 JKED Cc1ccc(S(=O)(=O)c2ccc(NN=Cc3cn(CCC#N)nc3-c3ccccc3)cc2)cc1 916313140 BZBFHQWWERADOS-UHFFFAOYSA-N 469.570 5.051 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 916450060 ZTQHUSBYYCWZBY-MHZLTWQESA-N 451.526 5.234 30 20 JKED O=C(Nc1ccccc1SC(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 916698695 BLVYZVMPIZPXIO-IUCAKERBSA-N 454.358 6.330 30 20 JKED COc1cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1c(C)noc1C 916916458 SZYRURGGVYGETE-ABSORMQESA-N 495.535 5.393 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 916919333 WMIWVPANNCZKKE-JOCHJYFZSA-N 455.539 5.074 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 916949088 LUGNWEIJCHOUJZ-XDHUDOTRSA-N 457.505 5.553 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(-c3ccccc3C)n2CC)cc1 916955234 NRRFLPRGDVRUTL-JTSKRJEESA-N 475.618 5.227 30 20 JKED N#C[C@@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 916967758 XSSUYUZDNLJCTK-SQJMNOBHSA-N 492.984 5.281 30 20 JKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1nc2ccccc2n1C(F)F 917041817 XKRMDQTUGRXJSC-INIZCTEOSA-N 458.306 5.882 30 20 JKED C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 917420640 VCAHDDDIFLWSCM-UHFFFAOYSA-N 457.933 5.702 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1F 917696559 MOHLKRRAMSXKCT-QFIPXVFZSA-N 483.540 5.115 30 20 JKED CCc1ccc(-c2nc(CC(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cs2)cc1 918019119 RBXJRYARBKWBDH-UHFFFAOYSA-N 457.555 5.209 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cc1 918450611 UPUSAAWQNUTDDK-VPUSJEBWSA-N 493.538 5.356 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)cc1 918788161 OUQWGELYJNZPGA-UHFFFAOYSA-N 461.587 5.076 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)n2)cc1 920142093 JZLGPBASKLTDHG-HLGIAFBFSA-N 471.420 5.729 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccccc3OC)c3ccccc3)n2)cc1 920144252 ZIPSMNLZSWPVFL-ZBDCHNAPSA-N 466.562 6.244 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccc(F)cc2)cc1 920204182 ALKQDLRPFSEXGW-WUFINQPMSA-N 493.538 5.334 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920356273 OZFDKFUKPYOUGT-OAQYLSRUSA-N 498.992 5.114 30 20 JKED COc1cc(C=NNc2cc(F)cc(F)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 920376208 FDEFKXDOKCZNJE-UHFFFAOYSA-N 479.405 5.456 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 920867751 HAECRXKJKCDPKB-KXBFYZLASA-N 493.601 5.244 30 20 JKED CSc1nc(O)c(C(=O)N(C)Cc2cc(F)ccc2Oc2cccc(Cl)c2)cc1C#N 1533583587 XTVCYABYSDCRKY-UHFFFAOYSA-N 457.914 5.238 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(C)c3C(F)(F)F)CCC2)cc1 1785841003 WXWVTDACYKPPDZ-UHFFFAOYSA-N 462.516 5.179 30 20 JKED Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)S)CCC2)cc1 1786308976 YCSOFEUQBGRBTC-AVRDEDQJSA-N 497.661 5.013 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccnc4ccccc34)CCC2)cc1 1788649206 AXTKSZDCXSOEOJ-OUKQBFOZSA-N 481.577 5.483 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3ccccc3F)CCC2)cc1 1788649290 GYMKNCCBTSQQQR-OUKQBFOZSA-N 462.546 5.003 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc4cccc(F)c4s3)cc2)CCC1 1788984816 YELKVJZYKSLPEX-RWPZCVJISA-N 475.545 5.500 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cnc3OC)CCC2)cc1 1789448621 DUZFXSPEDZSPHS-HXUWFJFHSA-N 453.970 5.260 30 20 JKED C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789507913 YILHPEIJIBWZKR-FQEVSTJZSA-N 499.728 5.085 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4Cl)CCC3)cc2)c1 1790072803 QDFKDZLDDJYYDV-UHFFFAOYSA-N 499.958 5.110 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cc2)CCC1 1790137619 KQRYVCRZPNBHLN-UHFFFAOYSA-N 481.021 5.397 30 20 JKED CCOc1ccsc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790520967 FAKDJIZILXOKJH-UHFFFAOYSA-N 477.561 5.148 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CCC2)cc1 1790565790 CXQLLJIDCCOUBB-QGZVFWFLSA-N 493.995 5.279 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)cc2)CCC1 1790690784 WGZRFFVPKYGVGB-UHFFFAOYSA-N 475.589 5.585 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CC[C@H]4CCOC4)CCC3)cc2)cc(C(F)(F)F)c1 1790787221 BJFXICWONIHWLE-KRWDZBQOSA-N 485.506 5.141 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccccc4O)cc3)CCC2)cc1C#N 1791317840 HALBJOOICFKQLR-UHFFFAOYSA-N 483.568 5.041 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ccc(Br)cc4n3)CCC2)cc1 1791589032 XATCASQQTVJCQC-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)C(C)(C)CC)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681432 TUADKEMUNXOHAV-NRFANRHFSA-N 469.626 5.122 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5ncccc45)CCC3)cc2)c1 1792127423 YGCGUYOXQCFITN-IBGZPJMESA-N 475.552 5.318 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1798401489 JXJURXOEKQHBFZ-OUJCMCIWSA-N 497.680 5.768 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]4CCCC[C@H]42)C3)c(Cl)c1 1800689162 RCYQYHFOQWXOMK-ZOJFBHTKSA-N 454.014 5.070 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Br)cc3s1)C2 1801639203 VLOUJWBENHOMQB-RUGDWHBFSA-N 461.425 5.128 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1802500768 OLBVVRNKEIKQES-XXBNENTESA-N 477.630 5.314 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)[C@@H]1c1cccnc1 1802502616 KQISOKOTSLSDPU-ZBQOPKCVSA-N 471.645 5.202 30 20 JKED Cc1ccc2cc(C(=O)N3CCC4(CCCN(C(=O)Cc5ccc(C#N)cc5)C4)CC3)sc2c1 1804945604 OSSXWMXAOJZAFV-UHFFFAOYSA-N 471.626 5.169 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1806594899 XLUTWDTWCDPMNY-PWWKTKHKSA-N 485.550 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC[C@H]2CNc3ccccc3C2)[C@H]1c1cccnc1 1807212114 KGYPBERQTLVZKF-WSOLHVCVSA-N 488.676 5.144 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1808487797 IBRPVRGKYRTMTL-AMGIVPHBSA-N 490.003 5.508 30 20 JKED CC#C[C@@H](CC(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1)c1ccc(O)cc1 1808536492 LFYCOXPJEJNOQM-CTLJBLDXSA-N 499.655 5.127 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc4occc4c3)[C@H]2c2cccnc2)c1 1809349855 SBCLDFBYQRTPFF-DSSGHVNRSA-N 478.552 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(OC)cc3)C2)CC1 1810401189 YASVZIYJIWYCRX-UHFFFAOYSA-N 489.660 5.594 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1811230854 WWOLNIOMLYBXHL-UKILVPOCSA-N 477.649 5.571 30 20 JKED CC(C)=CCCC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811872300 CIVNQAAUBSTKKW-YKSBVNFPSA-N 484.522 5.038 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3ccncc23)[C@@H]1c1cccnc1 1812103769 ZXRLUMVMNVQSEB-YWEHKCAJSA-N 498.703 5.001 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1812521789 AVMMWWZSZYMETQ-BWKNWUBXSA-N 466.025 5.219 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1812809296 NLGUQHVRHPQHDU-GJZUVCINSA-N 495.067 5.923 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)s1 1813374540 VSFOTDGAXXTZLI-XWEHQTOTSA-N 484.625 5.112 30 20 JKED N#CC1(C(=O)N2CC[C@H](CNC(=O)CCCCCCCCc3ccccc3)[C@@H]2c2cccnc2)CC1 1814149254 SPKPCXORMCTCDY-IAPPQJPRSA-N 486.660 5.365 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)c(F)c2)n[nH]1 1814674908 IXHDKHGZQKGFMQ-LAUBAEHRSA-N 458.965 5.205 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1815157602 WGJOXZCXTRNGSX-ZMSGJQCASA-N 497.599 5.155 30 20 JKED CC[C@H](C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)ON=C(C)C)[nH]n1)c1ccccc1 1816847560 GCDXAHILOKBXML-MWYJAUPDSA-N 467.614 5.033 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)c1ccc(-c2ccc(Cl)cc2)o1 1818163796 GSCMNDSMVUWJQT-FQEVSTJZSA-N 462.937 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1819303961 UTMDDPAJBNZJPP-URXFXBBRSA-N 475.568 5.618 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)n[nH]2)C1 1820116015 YKOIVNNOQLFLOQ-QFIPXVFZSA-N 485.613 5.892 30 20 JKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(OC)cc3C#N)[nH]n2)CC1 1822101591 VRTQYDKACBKZLG-UMEGOILYSA-N 491.636 5.131 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)n[nH]1 1822252254 UBMSBCKLQFIRKN-RZUBCFFCSA-N 497.437 5.162 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[nH]n1 1822384167 PTKPRGKYGZVURQ-VSUDMRMVSA-N 484.572 5.232 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CC3(CCC3)C2)n[nH]1 1823054505 LBYYBKLTGSDRTQ-NRFANRHFSA-N 454.691 5.033 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1)n1cccc1 1823212180 LTHGZKFXIVJXLJ-VEXUSMLFSA-N 472.593 5.186 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1Cl 1823215789 DYKALCQJCOLVLA-HTAPYJJXSA-N 475.980 5.618 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)[nH]n2)c1 1823216569 WRPDWDHKHXLNSV-YNSGVOSJSA-N 467.520 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)Cc3ccc(F)cc3)[nH]n2)c1 1823217754 XEWMNIYPSJXQPN-RRQZXNHTSA-N 487.579 5.361 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823218166 YUUBUZLUQNBGIO-NLFFAJNJSA-N 469.589 5.284 30 20 JKED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2C1 1823230107 BSWUYKMGLXCBEL-SFHVURJKSA-N 479.627 5.080 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1823260992 NBVDNSSIOKCFCQ-WAIKUNEKSA-N 491.979 5.318 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)CC2)C1 1823701193 BXUHBKXSAKRBDZ-HHHXNRCGSA-N 474.645 5.583 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823719027 CRXKGEJXSXUADL-XJBLXWTFSA-N 475.658 5.712 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1823810699 ZMUGNQXVDJPGDA-NDEPHWFRSA-N 498.602 5.168 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)ccc1F 1826570118 YXCPUPOJZQJFLS-AREMUKBSSA-N 496.026 5.146 30 20 JKED Cc1cccc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827684135 WXQZALUEWNVHLR-VDZCTEQFSA-N 464.631 5.037 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc4ccoc24)CC3)c1 1827701099 RYNZNZKWIKOHDB-HNAYVOBHSA-N 470.554 5.056 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c1 1828009932 QVDDJSOQADNKBJ-MUUNZHRXSA-N 481.596 5.267 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c1Cl 1828672610 BMIPAWJCAQGZTD-QFIPXVFZSA-N 493.032 5.368 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)C3)CC1 1828825435 VXYIDRAZXOBXOG-ZCYQVOJMSA-N 464.650 5.402 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1828828561 LWWSMMRRTNGPCP-QPPBQGQZSA-N 465.663 5.606 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828878093 HQLVLAGLAIBYOK-PZSRYKBRSA-N 458.693 5.140 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(Cl)(Cl)Cl)CC1 1828907187 XYIZBKFVWDYRGZ-GOSISDBHSA-N 479.952 5.027 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccnc(C)c2)CC1)c1ccccc1 1829030238 MRRPKTZEINUYDZ-WDYNHAJCSA-N 485.672 5.140 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CNc3ccccc32)CC1)c1ccccc1 1829032206 GFNHHRWFNVVYPZ-BUAQGSAMSA-N 483.656 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccc(F)cc2F)CC1 1829068503 ZKVQIKVBECAUHG-JOCHJYFZSA-N 478.649 5.669 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829646835 CWMWKINHEWBGNL-BLLLJJGKSA-N 480.955 5.050 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)cc3)CC2)c1 1829785067 GEBIKSLUCNEHDU-HHHXNRCGSA-N 496.586 5.306 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829867929 LNCWRIYZSXMNNY-OAQYLSRUSA-N 497.064 5.266 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)cc1 1830011667 BERKXYQUMKPPGB-OPATVPMHSA-N 495.545 5.524 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1830011912 HXAXUUWLPHTXCR-SDVLMSEASA-N 475.555 5.160 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c2O1 1830629149 UPRBDWBRZIGJML-SANMLTNESA-N 485.628 5.013 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c(Cl)c1 1830717258 IYJJGFQNAICNFL-XMMPIXPASA-N 467.972 5.206 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1830720790 GZRIZPUBBUKBGA-TXTKFYIRSA-N 493.545 5.299 30 20 JKED COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)ccc1C 1830722718 ONNDHNXILDXWIT-XMMPIXPASA-N 480.008 5.076 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)c1 1830768150 LHCNKEMDLLLUPP-NDEPHWFRSA-N 492.623 5.476 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831060823 GWOLDTHIYJQWIL-UTKZUKDTSA-N 469.607 5.255 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831369923 IQLHPXAZDMQRAC-AUSIDOKSSA-N 469.025 6.046 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 1831374829 UPQYSOOIYIROEU-NEUULRRLSA-N 491.717 5.148 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1831442269 QHOGYVZXWQUZIY-UTKZUKDTSA-N 452.973 5.275 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)CC1 1831856782 JTLILCUGVCJGHH-RPBOFIJWSA-N 497.680 5.147 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)s1 1832173997 OLQBMNNCKRBYEV-PVOYRIJTSA-N 465.594 5.014 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633516 JJVPRSOHLVARQT-AJTFRIOCSA-N 487.644 5.486 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)CCC1 1832785117 IIVIIXVCTJWXMV-AREMUKBSSA-N 495.627 5.157 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CCC1 1832785205 NGTQHYGKTURSFX-AREMUKBSSA-N 491.582 5.559 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 8649217 SQQRTBPUTANFPY-KRWDZBQOSA-N 493.658 5.516 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)N(CCC#N)c1ccccc1 10317107 YMFCQVJDZSNQMJ-SFHVURJKSA-N 489.551 5.640 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 11259697 KBTKKRARRVIZAJ-UHFFFAOYSA-O 494.061 6.339 30 20 JKED N#Cc1ccc(OCC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1 14582345 HOZORQVOMHAFGC-UHFFFAOYSA-N 451.360 5.026 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1C 24783825 WKPDTTRJUPYFCT-UHFFFAOYSA-N 463.607 5.699 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc(C(C)(C)C)cc1 28780524 IQNWRIQPWBEYPW-UHFFFAOYSA-O 496.494 6.702 30 20 JKED CCn1c([C@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)nc2ccccc21 60352994 VNTNWWOWAMVZNU-AREMUKBSSA-N 450.542 5.484 30 20 JKED CCCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(OC)cc1 218618789 NGZVODGKAUJTNH-OAHLLOKOSA-N 481.647 5.295 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 303250947 CBVJGIUVLHNMDZ-INIZCTEOSA-N 460.584 5.872 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 409806253 SPANHTBLYPTNJN-INIZCTEOSA-N 476.689 5.582 30 20 JKED N#CCc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 500382112 UDYKNCWJFDLKTH-UHFFFAOYSA-N 453.420 5.041 30 20 JKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 501521523 NONASPCVJUBHOJ-HNNXBMFYSA-N 477.417 5.574 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(OCC(=O)N(CC)CC)c1 502679936 OJGCWQVOMDEJRK-UHFFFAOYSA-N 492.389 5.056 30 20 JKED CCOC(=O)c1c(NC(=O)Cc2ccc(C#N)cc2)sc(C(=O)Nc2ccc(C)cc2C)c1C 504395531 IUZSHUHDHYEOMS-UHFFFAOYSA-N 475.570 5.155 30 20 JKED COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 506308130 OTHKFSDOWVDQGF-WMZHIEFXSA-N 474.992 5.652 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)Nc1nnc(C(F)F)s1 506682206 QSLWQPVLDZKIBN-UHFFFAOYSA-N 480.365 5.887 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 508249122 GKUWNGVFYMOCQM-UHFFFAOYSA-N 453.502 5.209 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 510888213 VBAGCEJNEGUFTP-GOSISDBHSA-N 469.545 5.826 30 20 JKED CCOc1cc(Br)c(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OCC 511605085 OTUWMDODIAWZCV-UHFFFAOYSA-N 497.414 6.522 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)cc1 513875123 VZOKRMPUCQOAMI-XMMPIXPASA-N 457.578 5.239 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515446616 FIOUORZDHOTVRH-CQSZACIVSA-N 482.309 5.118 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCCO5)n3)n2)cc1 517532422 HILRIJBRSWLMHC-KRWDZBQOSA-N 475.551 5.203 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3ccc(C#N)cc3)n2)cc1 517800702 CFXAEFLHGSFPRR-QHCPKHFHSA-N 481.602 6.473 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 518484868 IBTWCXAMQPHIDJ-DEOSSOPVSA-N 480.008 5.140 30 20 JKED Cc1cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)ccc1Oc1cccnc1 518853949 OINYATURYOXGHJ-UHFFFAOYSA-N 494.576 6.037 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 520827625 QUAIIDPVPUIILO-LJQANCHMSA-N 497.580 5.880 30 20 JKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 520841705 CZWAIYOXHXVNMT-LJQANCHMSA-N 463.525 5.649 30 20 JKED Cc1ccc(CNC(=O)c2cccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)c2)cc1 520951231 YLRFWYSWCVUXDJ-UHFFFAOYSA-N 475.592 5.666 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 551104518 CHJBMPYYBDBINU-HXOBKFHXSA-N 497.020 5.128 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 561206306 PPQCLMSACRUNHB-HXUWFJFHSA-N 467.598 6.113 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(Cl)c(C#N)c2)cc1OC 585709634 JQQOHCXYJLUHGM-UHFFFAOYSA-N 472.932 5.393 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591037152 DCUSFEOCYDHAHY-FPMFFAJLSA-N 483.453 6.091 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cc2)c1 596386273 KCNRVSOOHUHZOA-UHFFFAOYSA-N 459.933 6.131 30 20 JKED Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1NC(=O)c1ccco1 603758844 KZZANAGWDXWOKG-JOCHJYFZSA-N 469.928 6.402 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1c1ccc(OC)cc1 603765506 WNSZDCUXCLJQGS-LBNVMWSVSA-N 498.583 5.473 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cn2)c1 604428962 XYXIHYWLNKZYCM-NRFANRHFSA-N 479.334 5.113 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC(c4cccc5ccccc45)CC3)cn2)c1 604507627 RWNPAVCFZWAJJB-UHFFFAOYSA-N 476.536 5.243 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1 609082632 SYURAYLNVSQNSN-INIZCTEOSA-N 469.275 5.101 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)C3CCC3)cc2Cl)cc1 609227146 HWMHJNQBJFTWPI-XMMPIXPASA-N 459.933 5.600 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)s2)cc1 609399228 OBQOLFUNMOJYGD-NRFANRHFSA-N 474.615 5.942 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc12 618295581 UHFZYGKLQIOHCC-VXGBXAGGSA-N 479.421 5.737 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2c(C(C)C)noc2n1 620347552 RMIMMIPYDVREQC-HNNXBMFYSA-N 471.369 6.575 30 20 JKED Cc1nn(C(F)F)c(C)c1CC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518178 XXQVOGLFEJMCPD-INIZCTEOSA-N 485.375 5.075 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc(OC)c1OC 642281383 BOYURIOFJKYWLK-WSFXZPRGSA-N 452.576 5.127 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 642281531 HVGGYQCUADPEEG-HSZRJFAPSA-N 487.606 5.515 30 20 JKED O=C(NCc1ccc(COCC(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642682650 RQFYMQCDSVVRNA-ZIAGYGMSSA-N 480.371 5.474 30 20 JKED O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643049267 FDNAIHHGWQNSJX-QZTJIDSGSA-N 482.424 5.051 30 20 JKED C=CCOc1ccc(/C=C\C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc1OC 726371640 LSXMEGAAAYUGNQ-SQFISAMPSA-N 457.530 5.234 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 726393923 RUSBHLZMZLUXBK-ORAYPTAESA-N 498.407 5.518 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC)c(F)c3)N(Cc3cccs3)C2=O)c1 726416812 SYIMGTHWKJQDMV-NRFANRHFSA-N 499.589 5.065 30 20 JKED Cc1ccc(NC(=O)COc2ccc(CCNC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)cc1 726474740 ICEPGSVCKIUQKU-UHFFFAOYSA-N 479.005 5.067 30 20 JKED CCOc1ccc(OCC)c(NC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 726903891 QFZMOGYYDGRBOT-UHFFFAOYSA-N 463.578 5.894 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)cs1 727267021 MQFFXPSRMPLSKS-GHRIWEEISA-N 492.025 6.817 30 20 JKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 728175142 JYQSTHWXKFNWHR-UHFFFAOYSA-N 465.550 5.883 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)c1 728778170 QUIVJAJOXLFHDO-JOCHJYFZSA-N 493.589 5.174 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1-c1ccccc1 728780776 YTJRMYKAEXXTCB-SANMLTNESA-N 496.636 5.685 30 20 JKED C[C@@H](Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1)C(=O)N(C)CCC#N 729033114 NLAAVJDNTLBJHT-MRXNPFEDSA-N 494.671 5.022 30 20 JKED CN(C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1)C(=O)OC(C)(C)C 729557562 UAPDPAFWUHXUAG-PGRDOPGGSA-N 483.012 5.716 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)c(C)c1 729634952 XSNRGAWGECNETK-QHCPKHFHSA-N 476.577 5.306 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)c1 730461795 IDUOMTRPEVDNJK-HSZRJFAPSA-N 465.619 5.603 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1Cc1ccco1 730521763 KQPPOTSDDXGQAJ-HSZRJFAPSA-N 493.585 5.020 30 20 JKED C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1N1CCC(O)CC1 730675602 ONRVWXPKYMLNFH-BFHYXJOUSA-N 499.471 5.057 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3cocn3)C2=O)cc1Cl 730727974 YIGHKMACZYGVRX-JOCHJYFZSA-N 495.004 5.286 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)c(N)c1 731079579 DXCAXXFXYPPNPL-QGZVFWFLSA-N 461.543 5.108 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731305857 HDBVBRRUCBZQBP-IBGZPJMESA-N 469.563 5.062 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CC(F)(F)F)c(Cl)c1 731309750 VRLJIJNMASIAPR-INIZCTEOSA-N 485.915 5.185 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731310974 UHIIGAQMWAADDY-GOTSBHOMSA-N 493.535 5.318 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 731400871 WQABQWSZLUYAKV-DJJJIMSYSA-N 457.905 5.306 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(Cc2ccsc2)C1=O 743525510 QRTQWEGJYHYPHM-NRFANRHFSA-N 483.590 5.365 30 20 JKED COc1cc(/C=C\C(=O)c2sccc2Br)cc(I)c1OC 745022264 ZSAIYCYCJJEALL-ARJAWSKDSA-N 479.133 5.029 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1 745268101 NSMMEOGOXBHPRF-VWLOTQADSA-N 472.614 5.006 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCc1ccc(Cl)cc1 745626269 LQVFEPSNOBHCFZ-XFFZJAGNSA-N 463.917 5.780 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 746693988 HOLZIUGUCDAXPQ-HSZRJFAPSA-N 485.625 5.528 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCOC(C)(C)C)c1 746696616 RJFHEAXKLGSIBK-FQEVSTJZSA-N 490.025 5.124 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)cc1 746697645 ISXLYCZAXYJFFU-OAQYLSRUSA-N 475.561 5.050 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3cscn3)C2=O)cc1 747598823 FFTGXNQRGDPLKR-JOCHJYFZSA-N 494.642 5.401 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2c(C)cccc2C)n1 748034537 CRBRERKBAUHVQS-NRFANRHFSA-N 492.576 5.007 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 750687747 DIUZYQBRPVIXON-BPUDTRNYSA-N 462.594 5.499 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 838190636 OIROGKHFPMSYHM-WZONZLPQSA-N 458.587 5.366 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(-n2cncn2)c(F)c1)C(=O)c1ccccc1 844253670 DLIWRKCAAHUDDQ-HZHRSRAPSA-N 468.532 5.436 30 20 JKED C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 854836375 SHZTZXLLAFLBJY-SCSAIBSYSA-N 490.763 5.216 30 20 JKED N#Cc1ccccc1OCc1cccc(-c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)c1 856576260 QRSKPWQUAQZANO-HSZRJFAPSA-N 456.546 5.083 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccccc2OCc2ccccc2)no1 904464866 IJOBOZJOXFFSHX-IBGZPJMESA-N 455.942 6.024 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(-c2noc(-c3cnn(CCC#N)c3-c3ccccc3)n2)cc1 904719286 RTQUGVCULXGOCB-UHFFFAOYSA-N 470.533 5.205 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(NC(=O)c4cccs4)n3)n2)cc1 915102485 ZULCZZOCCKNRTR-INIZCTEOSA-N 464.597 5.308 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102677 CPSOOTCHQWIKDX-ZVUJHCQASA-N 461.635 5.147 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2F)cc1 916205132 HCAMNYLJHABIPN-QFIPXVFZSA-N 499.514 5.273 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCCC3)C2=O)c1 916210289 ZQFXJFPPISRRTH-HXUWFJFHSA-N 489.544 5.200 30 20 JKED Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=Nn1c(S)nnc1C(C)(C)C 916308500 KAAFGXNFFOLIIR-UHFFFAOYSA-N 450.543 5.172 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 916711484 ULPXWGLJFNZZOY-DFOVGDGWSA-N 495.432 5.175 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC 916883190 HGSUCRAHJKLBSJ-CQSZACIVSA-N 499.333 5.132 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccc(F)cc2)n1 916906651 ULEHQULCKRXQJW-IBGZPJMESA-N 457.486 5.703 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946028 IRSOBVBMECLDNA-KRWDZBQOSA-N 477.735 5.367 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(COc2ccc(F)cc2)n1 916946352 RTJVZXZGVOPLQW-INIZCTEOSA-N 464.305 5.129 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 916955401 QHDGAJPNISIQDW-JTSKRJEESA-N 461.949 5.025 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 916955653 SOKKXPPJCAXYPG-MAUKXSAKSA-N 490.610 5.048 30 20 JKED N#C[C@H](C(=O)/C=C\c1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995083 ASOLAHDLIBZBLG-WBTMPAOCSA-N 456.379 6.616 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 917030027 QPWMMPWHSLCAAY-UHFFFAOYSA-N 495.948 5.869 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917043436 ILYUASCRCQPSDM-QGZVFWFLSA-N 468.007 5.622 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1nc2cc(C(F)(F)F)ccc2s1 917044229 RMPHTKWJEQBOSL-XYUGOERHSA-N 490.551 5.149 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)CSc3nnc(-c4ccc5ccccc5c4)o3)cc2)cc1 917526948 HZONSHMLAQURBU-UHFFFAOYSA-N 463.518 6.126 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccc(C#N)cc3)C2=O)cc1 917664509 JNZFMSAMZGNIJD-VWLOTQADSA-N 496.592 5.230 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(=O)OC)c2)c1 917706229 AUZIJRSCANCCPY-UHFFFAOYSA-N 499.976 5.152 30 20 JKED CS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1Cl 917876150 FXEQORFVSKNQJK-UHFFFAOYSA-N 461.326 5.313 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1 918036838 DVYIWRITCNBIEH-QFIPXVFZSA-N 456.937 5.206 30 20 JKED COc1cc(/C=C/C(=O)N(CC(C)C)c2ccc(C#N)cc2)ccc1OCc1c(C)noc1C 918573533 XCGAMDBRVRXKNG-UKTHLTGXSA-N 459.546 5.453 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)c1C 919644285 UFKPGLQDAYJRRP-UHFFFAOYSA-N 487.531 5.107 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)c4c(C)[nH]c5ccccc45)cc3)o2)c1 920106731 ZEXJJDMPWQBIPW-QFIPXVFZSA-N 460.493 5.707 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 920108192 BWOOOCWQBCDMAO-YWZLYKJASA-N 467.978 5.527 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920109539 QTMUHBVGFBMDCN-CQSZACIVSA-N 477.735 5.111 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3ccccc3c2)s1 920168627 MPMLAMCIRXLTQA-OPAMFIHVSA-N 463.628 5.571 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc1C 920891531 AISFFMAWGHKTBS-SIKLNZKXSA-N 476.602 5.051 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 921248891 YAJGKRUJOKZYBF-KILAXVPQSA-N 464.425 5.180 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@]3(CN(C(=O)c4cccc([C@H](C)C#N)c4)CCO3)C2)cc1 1781872443 NUQMSYMKLAJFSQ-SLGOVJDISA-N 493.607 5.046 30 20 JKED CC(C)(C)OC(=O)NC1CCC(C)(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)CC1 1785937090 YNDANBIVVIGYLE-UHFFFAOYSA-N 496.652 5.144 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)CCC1 1786028904 GNDLHJVNIVNQMY-JWQCQUIFSA-N 483.543 5.014 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1 1786546042 AEQZFPRDBROUQT-SFHVURJKSA-N 487.984 5.150 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccoc4)cc3)CCC2)cc1C#N 1786749621 AELUVGCTBDXXQL-NYYWCZLTSA-N 469.541 5.400 30 20 JKED Cc1occc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1787364502 GDVFJCCOIJVACB-UHFFFAOYSA-N 467.447 5.540 30 20 JKED COc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c1 1787757580 ANSQACJWENVAME-UHFFFAOYSA-N 473.960 5.211 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CCC1 1789288667 OEYBJCCGWCQMSO-OGLMXYFKSA-N 478.593 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4c[nH]c5nccc-5c4n3C)cc2)CCC1 1790021567 SHVWDIRHYIMLJT-UHFFFAOYSA-N 483.616 5.746 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(Br)nc3)cc2)CCC1 1790347470 SWJNRLZHHKVQNL-UHFFFAOYSA-N 482.422 5.289 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3C)cc2)CCC1 1790630227 ZJHBLQJFYZBNQK-KRWDZBQOSA-N 486.410 5.306 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)on3)CCC2)cc1)C(F)(F)F 1791302327 GFTLFOHVRLXEPY-UHFFFAOYSA-N 455.436 5.208 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791728891 DPMFZFOCOPMJAW-QFIPXVFZSA-N 495.664 5.351 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5occc45)CCC3)cc2)cc1C#N 1792168842 YPMPNXAJHAVDSM-UHFFFAOYSA-N 494.551 5.548 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1F)c1ccccc1C(F)(F)F 1800413026 ZAUKQOMDGHPLGE-BTTYYORXSA-N 488.403 5.429 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CCCC1 1801237673 CCAFIELTASSBEN-BJESRGMDSA-N 489.701 5.091 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)c(N(C)Cc3ccccc3)c(F)c1)C2 1801643818 PZPVIMBYSBUTOO-TWHAJKEOSA-N 481.587 5.065 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1802500761 OLBVVRNKEIKQES-AUSIDOKSSA-N 477.630 5.314 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)cc1 1803678493 BZVLRBBTBKSAFO-JTMVAAEOSA-N 478.596 5.250 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4C[C@H]4c4ccc(F)c(F)c4)C3)CC2)c1Cl 1805610311 OJHGFNVMJRDDIE-SFTDATJTSA-N 497.973 5.138 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)C4CCC(F)(F)CC4)C3)CC2)cc1C#N 1805759226 CFYYKCUIOAHZML-UHFFFAOYSA-N 487.591 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2C(C)(C)C)[C@H]1c1cccnc1 1807782513 QASBWXGBVUPRPU-JTHBVZDNSA-N 462.638 5.086 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1Cl 1810267701 NWLLCPIRFDGBJY-ZEQKJWHPSA-N 496.127 5.414 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[C@H]1c1cccnc1 1810470410 ZCMMQMYKMQWIIQ-RYRVMRHHSA-N 487.550 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@H]1c1cccnc1 1810498979 RHCILGCIHDLTML-CVCYMHMSSA-N 465.682 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810499423 YBPUYDWGEZNSPL-KVZCNWPJSA-N 480.052 5.537 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccnc1 1810501713 CKTUEXMOSXOVJK-NFBKMPQASA-N 470.013 5.056 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)s1 1811424044 FWLPTVCWDITFQV-ODESFVKMSA-N 491.016 5.010 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811436872 YMASCGMMKOBVRL-DNRQZRRGSA-N 477.992 5.569 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812514252 LAKMZHREXTUMEX-XZDHIHRUSA-N 466.025 5.075 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[C@H]2c2cccnc2)C1 1812956124 KUMWKRSFNBBVOB-WZONZLPQSA-N 484.427 5.092 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccc(C)cc4)CCCCC3)[C@H]2c2cccnc2)C1 1813221233 VOFQKPGZGYPFQX-RPLLCQBOSA-N 471.645 5.264 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1814066974 PPDKUWPENMPKCN-QESAQDPVSA-N 479.587 5.449 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938413 MQHRYFUUBQNDJV-FHZYATBESA-N 488.032 5.296 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C(F)(F)F)cn2)n[nH]1 1815905179 SBICZELEXXHDHR-OAQYLSRUSA-N 489.542 5.217 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817755246 HKWLPNWHFNGRFY-YWZLYKJASA-N 467.957 5.236 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)C3)n[nH]1 1817943363 ICORQARAFSTPMV-UGKGYDQZSA-N 462.594 5.198 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4cc[nH]c4c3)n[nH]2)c1 1818489146 BZZNONBBRULWQM-XDHUDOTRSA-N 466.545 5.138 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)Sc2cccs2)n[nH]1 1819257004 XHJCGWSHNWITGI-SCTDSRPQSA-N 458.653 5.413 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1819306894 HZOJJJCNFFSTPT-DVECYGJZSA-N 492.023 5.994 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)[nH]n1 1819554797 PFGWBUGVEHDWJB-OAQYLSRUSA-N 469.536 5.468 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)c3ccc(Cl)cc3)[nH]n2)c1 1820206495 WFUGHOUMLVVIJT-HJPURHCSSA-N 491.979 5.053 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)n[nH]1 1820296448 QDCJZWOEKNOZLU-UZUQRXQVSA-N 493.011 5.528 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C)cc(C#N)c3)n[nH]2)s1 1821325085 APPLCZFSEFFCTR-OAQYLSRUSA-N 490.633 5.399 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccncc34)n[nH]2)c(Cl)c1 1821416235 RDSOQWOFOXQYCO-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc(Br)c3)CCCC2)[nH]n1 1822403617 JRJHYIYJZZLGCX-HXUWFJFHSA-N 485.426 5.252 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823309153 KDFTZQJZBHZKES-MRXNPFEDSA-N 490.860 5.599 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3C)CC2)c1 1823911525 ALHYJWHJBMJNKB-RUZDIDTESA-N 480.008 5.076 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1 1824053718 BZBREXJEWSHTMP-SANMLTNESA-N 469.585 5.171 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc4ccccc34)CC2)c1Cl 1827999212 RSGXWDVPBGOBES-RUZDIDTESA-N 487.003 5.307 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1828461367 ZFXXFMMOLCNJRA-SNJCGAMXSA-N 450.614 5.424 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1828825623 ZDJAVDVIDPDOLX-DHLKQENFSA-N 481.040 5.285 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1828827602 QBAUPUOXWJGJIM-PKTZIBPZSA-N 462.556 5.707 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(F)(F)F)CC1)c1ccccc1 1829033273 TZSPPMYNJXRPCO-DHIUTWEWSA-N 462.556 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cnccc3nc2C)CC1 1829066820 VFKPTBIVSVGEJE-RUZDIDTESA-N 462.638 5.164 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1829068693 KXXDRFLBOJDHST-VWLOTQADSA-N 496.692 5.710 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1 1829677339 WTFLQPRUGUWQPX-HHHXNRCGSA-N 473.617 5.237 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c1Cl 1829690211 QKYQKOHZIFLEDA-QFIPXVFZSA-N 493.032 5.368 30 20 JKED O=C([C@@H]1CCC=CO1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601798 IWPOFGHZXZBZNS-VMPREFPWSA-N 482.624 5.012 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3F)CC2)cc(C(F)(F)F)c1 1830756775 VXQQBFGJBMFZKN-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1830790549 CXIPPMQQJWUJOD-DEOSSOPVSA-N 473.608 5.033 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)CC2)cc1 1830829900 HITOIUBWLPNMNV-SANMLTNESA-N 487.003 5.307 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)ccc2[nH]1 1831034800 IQTUZSMDGDFAJX-RUZDIDTESA-N 489.019 5.549 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831448947 SPVXKVWROCRJIU-OAQYLSRUSA-N 464.984 5.203 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1)C(F)(F)F 1831453161 UDVZHQZJIGBNLB-VXSCBNMQSA-N 454.577 5.331 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1)C(F)(F)F 1831454075 WPJZCYRMJPZNHH-OAQYLSRUSA-N 479.930 5.240 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 1831860309 NGTYJIBPOHPCSF-HYBUGGRVSA-N 483.653 5.082 30 20 JKED CCCc1onc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832630479 ITWZGXLFLSINAB-CYFREDJKSA-N 476.621 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C)C1 1841296715 ZVINDNFBLLSRIO-HSZRJFAPSA-N 489.701 5.214 30 20 JKED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 1843187158 LZUCDWGRNJGIHQ-HSZRJFAPSA-N 487.987 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)C2)c1 1843459901 DIGHMAZNZOLMPG-GOSISDBHSA-N 473.960 5.358 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC2(CCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1846883506 AFXQDLKLNVGPNQ-UHFFFAOYSA-N 492.366 5.133 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 10173946 UOBGAJVMISIQNS-UHFFFAOYSA-O 475.678 6.845 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1OC 10230458 UGLTZUJZWQPQAV-UHFFFAOYSA-N 482.915 5.543 30 20 JKED COc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(Cl)cc3)=C2C)cc1 10358074 UEHFTXWBJKEKMC-DEOSSOPVSA-N 489.000 5.569 30 20 JKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nc2sc3c(c2c1=O)CCC3 10658459 NIEWGGWFFIIQQF-GFCCVEGCSA-N 469.661 5.190 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 11259456 ADMQTVSOMFWFTH-UHFFFAOYSA-O 488.032 6.278 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)[C@@H](C#N)c3nc(C)cs3)o2)cc1 18753919 OEPCBQLHAHXZLE-HXUWFJFHSA-N 457.511 5.115 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cccc2c1=O 21844600 AAKYOINUKFAFHL-IBGZPJMESA-N 498.510 5.400 30 20 JKED COc1cccc(NCc2nnc(SCC(=O)N(C)C3(C#N)CCCCC3)n2C2CCCCC2)c1 22719521 XQFDVDGVPPBFLC-UHFFFAOYSA-N 496.681 5.181 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)NCCc2ccccc2)cc1 22735554 UAHBSELSABVOAG-UHFFFAOYSA-O 467.605 5.927 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23452492 ZHSORKDDHCFGRX-DEOSSOPVSA-N 479.001 5.474 30 20 JKED COc1ccc(CSc2nnc(SCC(=O)Nc3ccc(C#N)c(Cl)c3)s2)cc1 24916947 VNBONNISKFXDJG-UHFFFAOYSA-N 463.009 5.095 30 20 JKED C=CCn1c(SCc2c(C)nn(-c3ccccc3)c2Cl)nnc1[C@@H]1COc2ccccc2O1 115215605 BYECGAYSOFALNF-NRFANRHFSA-N 479.993 5.416 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 263590617 CCKTYTPEQBNMIC-VWLOTQADSA-N 480.593 5.704 30 20 JKED aggregator C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)N1CCCC[C@@H]1C)C(C)C 302991334 WHIJOXKQQNTLOK-LAUBAEHRSA-N 463.047 5.214 30 20 JKED Cc1sc2ncn(CC(=O)Nc3ccccc3S[C@H](C)CC#N)c(=O)c2c1-c1ccccc1 303255875 DDHBEBHNBAPEHI-MRXNPFEDSA-N 474.611 5.466 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1cccc(C)c1 303283307 KSIQAGSLODXLTQ-GOSISDBHSA-N 463.632 5.422 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 303390928 OSIMZWDIPLEVQY-BBRMVZONSA-N 471.431 5.039 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 490747702 ULSHNJXEBRTNMA-AVRWGWEMSA-N 459.521 5.230 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C#N)ccc2OC)nnc1-c1ccc(Cl)cc1Cl 493052816 FPEXJNLMJNHBCW-UHFFFAOYSA-N 474.373 5.049 30 20 JKED O=C(NCc1ccc(C(F)(F)F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 497334092 SPGUFEYACPUZHF-UHFFFAOYSA-N 481.318 5.859 30 20 JKED C=CCn1c(SCC(=O)N(CC)[C@@H](C)c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 500145462 KXSFBJJYMIEFTQ-KRWDZBQOSA-N 471.026 5.495 30 20 JKED Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 502294627 MCVKAJDMQNZVBA-LJQANCHMSA-N 468.582 5.541 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 505093349 GHLXMCOZDVHFIJ-UHFFFAOYSA-N 484.581 5.550 30 20 JKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 505670949 FKOQLPUGCKHEFD-MRXNPFEDSA-N 462.527 5.265 30 20 JKED O=C(CCc1ncc(-c2ccccc2Br)o1)Nc1cccc(C#Cc2ccccn2)c1 506140356 AQQKIVIEVGODJY-UHFFFAOYSA-N 472.342 5.470 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)c2)cc1 509920345 REXBYKAWQPCWLN-UHFFFAOYSA-N 463.541 5.529 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccc3c(c2)oc2ccccc23)nn(-c2ccc(F)cc2)c1N 509962250 CLJJSDMOUINNKQ-UHFFFAOYSA-N 468.492 5.119 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)s2)cc1 510235969 LMRNACANSXOQEZ-UHFFFAOYSA-N 451.552 5.162 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510692985 KWJGEZUTYLLIRD-UHFFFAOYSA-N 469.520 5.976 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc2ccccc2n1C(F)F 511389780 FRGWQTXESUFHCU-KRWDZBQOSA-N 475.499 5.959 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(C(F)(F)F)c1 511494118 YFBUKCOAMYONKP-QGZVFWFLSA-N 481.474 5.166 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1OC(F)F 511496400 FADVEPPUGHOZKA-HNNXBMFYSA-N 450.445 5.295 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc(-c3ccco3)nc21 513655694 TZTCEMSYTGHLPB-INIZCTEOSA-N 498.568 5.351 30 20 JKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c1 513676194 APJOUGYOPHVVQW-JOCHJYFZSA-N 461.525 5.233 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 514475451 HKWWVUAIFATOGK-UHFFFAOYSA-N 478.367 5.900 30 20 JKED CC(C)Oc1ccc(C#N)cc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 516367120 QHKGUGYHOBDGRT-IBGZPJMESA-N 450.589 5.258 30 20 JKED CCN(C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)[C@@H](C)c1cc2ccccc2o1 516727496 DJUVACBBPPMGNQ-KRWDZBQOSA-N 454.486 5.040 30 20 JKED COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 517460286 BFSBAHXCZVNGTI-ZDUSSCGKSA-N 480.512 5.117 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCSc2c(F)cccc21 518598523 JNRHJFMJKPBLJK-JOCHJYFZSA-N 461.518 5.090 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 518676645 LBBHQDNHYCPGFW-OXJNMPFZSA-N 475.536 5.649 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)c1 518741807 KXXVLABSSSTFMH-NRFANRHFSA-N 454.530 5.542 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 519129008 KICDCYOAVUORRR-NLFFAJNJSA-N 473.598 5.015 30 20 JKED Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1F 519196985 YUSHXIORZGIJLR-UHFFFAOYSA-N 486.547 5.358 30 20 JKED N#C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1cccc(Cl)c1Cl 519485305 RZVVURRRIDBNBM-GOSISDBHSA-N 484.305 5.245 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c(C)c1 520560303 GJCCNDNZBFARBL-UHFFFAOYSA-N 489.597 5.007 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)cc2Cl)c1 520911786 IXKCKOSYXOQTTG-AREMUKBSSA-N 473.960 5.483 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 521260065 URARNNFOGJDTEM-GOEBONIOSA-N 454.596 6.392 30 20 JKED C=CCn1c(SCC(=O)NCc2nc(C)c3ccccc3n2)nnc1-c1ccc(Cl)cc1Cl 523263264 KZPAZDLOVFXRPG-UHFFFAOYSA-N 499.427 5.098 30 20 JKED O=C(NCc1nccn1C(F)F)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 524002160 DZMBIRZLNASDJF-UHFFFAOYSA-N 499.387 5.685 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1-c1cccc(Cl)c1 524455301 OAZJKULLWIUUEZ-UHFFFAOYSA-N 460.896 5.676 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(Br)cc1 549409838 ZNZHZQOXBQYAHF-HNNXBMFYSA-N 470.277 5.178 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 551602881 PBLCHIARRLZGTJ-HYBUGGRVSA-N 485.975 5.324 30 20 JKED CCOc1ccc(-n2c(SCCC(=O)Nc3ccccc3C#N)nnc2-c2ccccc2)cc1 589942351 NJKUQOXOPRSUKT-UHFFFAOYSA-N 469.570 5.326 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H]1c1ccc(OC)cc1 603765508 WNSZDCUXCLJQGS-LSYYVWMOSA-N 498.583 5.473 30 20 JKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603962473 BCXUUEGSMTXZCD-UHFFFAOYSA-N 463.537 5.352 30 20 JKED Cc1nc(-c2cccc(NC(=O)CNc3cccc(OCc4cccc(C#N)c4)c3)c2)cs1 604007128 OIXOQSWSYXMQTA-UHFFFAOYSA-N 454.555 5.620 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 604457406 LLNWPKJHAQCVOA-HXUWFJFHSA-N 467.569 5.570 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)c(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 609103300 LAWHLOOUYGCBHN-UHFFFAOYSA-N 462.337 5.179 30 20 JKED CSc1nnc(CCCNC(=O)Nc2ccccc2S[C@H](C)CC#N)n1C1CCCC1 609436983 ZPQBGFLCLKCIIU-MRXNPFEDSA-N 458.657 5.264 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613344296 DCWSWZCMCPTFMW-QGZVFWFLSA-N 473.385 6.137 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 613407487 UXYXQIYJFWJRSJ-KXBFYZLASA-N 488.034 5.311 30 20 JKED C=CCn1c(SCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)nnc1-c1ccco1 614011876 DODUUHXYVGZSBJ-NRFANRHFSA-N 483.597 5.246 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)nnc1-c1ccc(Cl)cc1 617896664 XXUGDQMNLUEGFI-QGZVFWFLSA-N 498.052 5.386 30 20 JKED C=CCOc1c(Br)cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC 642196154 JTFOPJZAQSGFIB-CHWSQXEVSA-N 490.282 6.022 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2C2CCCC2)cn1 726109337 FUOJGWISMJNBOB-SFHVURJKSA-N 480.421 5.113 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@H](C)c1cccs1 726420898 JTQKPEZNOHLRBA-LAVORGIMSA-N 469.554 5.567 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)N[C@@H](C)c2cccs2)cc1 726580226 WJXZAZKKQIXBHP-SFHVURJKSA-O 494.706 6.272 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cs1 728346503 IPBNSPPIGWZYEY-QFIPXVFZSA-N 480.977 5.065 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3/CCOc4ccccc4C3=O)cc2OC)cc1 728441229 HLGNYZKUZKWMCW-SILNSSARSA-N 473.525 5.160 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)c1 728778133 QKJLJZLHRMLPFC-FQEVSTJZSA-N 470.982 5.003 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1C 728779347 YQTNTKCQFDYFRH-JOCHJYFZSA-N 483.037 5.919 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)c1 729634948 XRZXBZKTZPUUKD-QHCPKHFHSA-N 458.587 5.167 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(CCc3c(C)noc3C)C2=O)cc1 730442325 HLDYOKNKGFDQDA-QFIPXVFZSA-N 498.555 5.081 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CCC2)c1 730459221 IOXTXXNRLJIUTI-IBGZPJMESA-N 472.408 5.270 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2Cl)o1 730716714 YVPYLZVPMJQBAG-AKCHCHLHSA-N 495.992 5.007 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O 730716802 ANLHRQITZICMSD-LJQANCHMSA-N 489.384 5.450 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cocn2)C1=O)Nc1ccccc1F 730724930 PQMYZZXAQNOVRA-QFIPXVFZSA-N 474.517 5.127 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 731114315 NNUZPAYFENLEID-GBXCKJPGSA-N 497.668 6.439 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccs1)c1cccs1 731313400 YVGGARBKKFBIKB-BHARLODGSA-N 471.629 5.105 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 731332745 RBGISMKHSGCROD-INIZCTEOSA-N 478.039 5.161 30 20 JKED COc1ccc(Br)cc1C=Nn1c(S)nnc1COc1cc(C)ccc1C(C)C 744761680 NGZLIEOJQXYBAM-UHFFFAOYSA-N 475.412 5.231 30 20 JKED C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 744936753 WOTUYJYLXRSZRU-YGRLFVJLSA-N 453.297 6.039 30 20 JKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 746663797 HYVOSCFVOTUFDR-WQTVWLHISA-N 483.421 5.031 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc3ccccc3[nH]2)cc1 746697688 JTBHTQWVDZTDQL-DEOSSOPVSA-N 484.581 5.337 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCCOC3CCCC3)C2=O)c1 747042748 IFOOFLMFDQCFRZ-HSZRJFAPSA-N 499.608 5.144 30 20 JKED CCOCc1cc(/C=C2\CSC/C(=C/c3ccc(OC)c(COCC)c3)C2=O)ccc1OC 747613257 VDWPDPYEUMEKPA-NQGGHMMCSA-N 468.615 5.560 30 20 JKED COc1cc(/C=C/C(=O)c2ccsc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 749105694 WRWNKEWXTKFYDF-SOFGYWHQSA-N 461.461 5.689 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc3c(c2)CCO3)C1=O)Nc1ccccc1F 750915266 CXBYMRAEFIWTNB-QHCPKHFHSA-N 493.535 5.060 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 767313377 GPQVCTNSNFPNJD-UHFFFAOYSA-N 499.708 5.395 30 20 JKED C=CC(=O)Nc1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 857463430 YNKZTANBIOUKLD-UHFFFAOYSA-N 450.310 5.005 30 20 JKED C=C(C)C[C@@H](NC(C)=O)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904670839 TWCGNFIVLXTGBP-QGZVFWFLSA-N 466.847 5.740 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 916038855 KARPVBIZRBTJNX-UHFFFAOYSA-N 475.682 5.047 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)c(Cl)c1 916217580 QJRXXAJRSWKUFA-LJQANCHMSA-N 480.417 5.217 30 20 JKED CSCC[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 916628511 WAWZMEOUYPKGMV-AZUAARDMSA-N 496.013 5.058 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916906135 RIGQQPUYRLERAF-GOSISDBHSA-N 495.585 6.778 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 916912235 ZOPXHQRZIUGTKC-INIZCTEOSA-N 483.311 5.475 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917045882 BXOKOJRBZGHMOC-GOEBONIOSA-N 478.426 5.331 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 917612657 BNPTWPVIFYUHPB-UHFFFAOYSA-O 473.578 5.981 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C#N)cc2)c1 917667156 REDLARIJPORPIY-RUZDIDTESA-N 498.608 5.344 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 920107821 GYBREKIWVZWFHT-QFIPXVFZSA-N 477.492 5.413 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@H]2c2ccccc2)c1 920356460 PKELBKYOAZCYID-QQSVUBKYSA-N 491.657 5.017 30 20 JKED C[C@@H](OC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)N(CCC#N)c1ccccc1 920610414 PDKOTUHONPWNCW-HXUWFJFHSA-N 495.535 5.106 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 920806345 KBNUWDQBNNYHQZ-IBGZPJMESA-N 479.552 5.136 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2ccccc2Br)cc1[N+](=O)[O-] 920905451 QLUHTARUXWVRNJ-AWEZNQCLSA-N 499.321 5.061 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CCOCCC(C)C)C2=O)c1 921255152 XNNYCBCGZXIAHG-DEOSSOPVSA-N 492.645 5.198 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)cc1 921255360 ZTFQUCGSGBKRLC-NRFANRHFSA-N 475.561 5.050 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCOCC(F)(F)F)C2=O)cc1 932780442 GIPAVICMDFQIPY-SFHVURJKSA-N 499.942 5.188 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(F)c(F)c3)cc2)CCC1 1785988919 VGGLSEGXLCOPPT-UHFFFAOYSA-N 456.533 5.014 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CCC2)cc1 1786374334 QRCDZQRYVXUJJF-HNNXBMFYSA-N 464.459 5.183 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)cc3)CCC2)C1 1787948829 WXSIAHYLXDKRGS-AYRHNUGRSA-N 455.602 5.465 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CNc4ccc(F)cc4)cc3)CCC2)c1Cl 1787986871 QNFYQXOBLOCXNC-UHFFFAOYSA-N 476.939 5.211 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4Cl)CCC3)cc2)c(C(F)(F)F)n1 1788357360 IOFABISZXIFNLK-UHFFFAOYSA-N 499.880 5.082 30 20 JKED CCn1nc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c2ccccc21 1788366007 WZGQRVPKROTCGO-CCEZHUSRSA-N 498.608 5.305 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]nc(Br)c4c3)cc2)CCC1 1789379568 IYOOQXUBXWCLHQ-OAHLLOKOSA-N 481.394 5.285 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)NC(=O)CC4)CCC2)cc1 1789458442 ZWMGARDCYWGLNR-QHCPKHFHSA-N 457.574 5.087 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789993661 NJULNQASKTXFCZ-SFHVURJKSA-N 468.557 5.783 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccc(C)c5[nH]4)CCC3)cc2)c1 1790073138 OBCYTCBKOJXYIQ-UHFFFAOYSA-N 478.552 5.418 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc1Cl 1790148347 RVITXAJVVOHDCK-UHFFFAOYSA-N 476.964 5.388 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1 1790302028 FXXYIPFWMFOLPJ-IBGZPJMESA-N 453.542 5.384 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)c(Cl)c1 1790767293 VSCMDTFJCWHIDD-UHFFFAOYSA-N 474.973 5.587 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)cc2)CCC1 1791419428 OHZMJHBBHDCXSU-MNNSJKJDSA-N 471.601 5.023 30 20 JKED CC(C)[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1791516213 YGSZDMOVMHKDMD-RBBKRZOGSA-N 491.698 5.014 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)CCC2)cc1 1791576954 AGNUUQNRIHUVOO-GOSISDBHSA-N 473.598 5.005 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(Br)c(F)c1 1801463309 OPEQULJYILYJNU-REPLKXPHSA-N 479.434 5.151 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(Cc4ccc(F)cc4)c3)[C@@H]2c2cccnc2)C1 1802415047 DLYUJLAPIQGMLK-LBNVMWSVSA-N 483.587 5.097 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)[C@@H]1c1cccnc1 1802495973 HMFODONSZAQTTN-NAYZPBBASA-N 488.676 5.144 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1803088620 MTHVNRZOBWSBCH-CPJSRVTESA-N 477.605 5.523 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4cccc(OC)c4)c3)C2)CC1 1807443240 SWYOVOCWIQVIOH-UHFFFAOYSA-N 477.649 5.528 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1808162192 WTPHPJHCJIXLAC-RLWLMLJZSA-N 497.986 5.030 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)oc2ccccc12 1809162435 WNFAZVZLESTXBG-NLFFAJNJSA-N 498.970 5.295 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)[C@@H]1c1cccnc1 1810175246 JQCLGGSKGBOTEJ-ZRJLEYOISA-N 471.645 5.368 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1)c1ccccc1 1810446806 HYTHFCYFAFSAJD-ZRVVDMLDSA-N 483.656 5.255 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1)C(F)(F)F 1811441303 GRSDZYLOUFBFIN-ZJSXRUAMSA-N 497.492 5.326 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1811466130 HSKIJLSIPMQEKA-WDUKFBBWSA-N 464.368 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812515044 UKKHHYRMFIHYCY-MIRJVGOZSA-N 494.079 5.949 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1812791857 JBUQBRNFENVIPG-UXCLWCCASA-N 493.051 5.389 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n[nH]2)cc1 1814372523 UOIKDDFIRGLRDG-QHCPKHFHSA-N 486.963 5.230 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)cc1 1814380404 LPILGJUPKNPTQQ-LJQANCHMSA-N 489.626 5.496 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)[nH]n1 1814826850 IRFIKWCEPFXRLS-CPJSRVTESA-N 475.637 5.235 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1815119267 TXOZSCMFHVOENO-CVDCTZTESA-N 490.007 5.070 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)C(C)(F)F)n[nH]2)c1 1815338826 QLDIBYCBVKQHGQ-KXBFYZLASA-N 457.525 5.024 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)cc2C(F)(F)F)n[nH]1 1815546349 LHRZSPCPMQIJFE-QGZVFWFLSA-N 488.432 5.014 30 20 JKED O=C(C[C@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1815607722 HJGYVNLCEXZRPJ-XNMGPUDCSA-N 496.611 5.075 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C\c2c[nH]c3ccccc23)n[nH]1 1815787503 HDJIRFCERXFSIT-NRHQITNBSA-N 457.578 5.365 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccs3)n[nH]2)cc1C#N 1815994405 IGPOKAKKTOSICK-QFIPXVFZSA-N 491.617 5.069 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817755239 HKWLPNWHFNGRFY-FOIQADDNSA-N 467.957 5.236 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(-c3cccnc3)n2)n[nH]1 1818149648 JJTQMFQLHJHCEE-HXUWFJFHSA-N 478.622 5.227 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)[nH]n1 1819306620 ABKCBMGETODQQD-ZHRRBRCNSA-N 467.520 5.244 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)n[nH]2)CCC1 1820080175 RPYSHAXTPOJFAP-XMMPIXPASA-N 492.583 5.329 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)[C@H](C)S)[nH]n3)ccc21 1820225597 KULKCEDPFAVNRI-QMHKHESXSA-N 475.618 5.162 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)n[nH]1 1821007405 UDWBZDWWKZLDDC-VWNXMTODSA-N 491.542 5.463 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)cc2s1 1821277085 FPZDEZYSFXCFNQ-FQEVSTJZSA-N 492.992 5.406 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c(Cl)c1 1821277250 QAZQAOAOMNJSPM-YUAYGMJFSA-N 465.985 5.377 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c1 1821321426 HXGFWMAJTSIEBI-JRUKXMRZSA-N 478.556 5.090 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccsc4[nH]3)n[nH]2)c1Cl 1821436517 KVKXAOXLBKFEBG-SFHVURJKSA-N 478.965 5.097 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2ccc(OC)cc2)n[nH]1 1821748894 JHOYAVLIAVIMOD-DMJRHOSBSA-N 462.594 5.282 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)n[nH]1 1821758405 WEVLPQGYOTXMHY-SHQCIBLASA-N 479.669 5.333 30 20 JKED Cc1c(Cl)ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)c1Cl 1823142090 XHXIFFQNYTZQHB-XDWZDTHNSA-N 488.375 5.043 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)cc1C#N 1823293770 FTJJNCILMHXFTH-HGBASVHRSA-N 489.620 5.201 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)[nH]n2)CCC1 1823377735 WCDRFKZQWVVCNL-MRXNPFEDSA-N 467.982 5.278 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)[nH]n1 1823422841 QJHQPEFKFZOHJA-QHCPKHFHSA-N 490.991 5.361 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 1824055745 CUJZDHUZRVOGJF-XMMPIXPASA-N 495.570 5.026 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)CC2)cc1C#N 1824633323 FZYASFZLGQPGFI-JOCHJYFZSA-N 489.607 5.260 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1827297181 SHIPGAUBQCDKDD-LEQVUBRHSA-N 493.673 5.113 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827334634 PRIVNLOYZVEHEO-SANMLTNESA-N 457.618 5.094 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)CC1 1827904208 JVXKJBMXENVAKU-OAQYLSRUSA-N 460.684 5.262 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn3cc(Cl)ccc3n2)CC1 1828082877 RENUCFJZRCJNOI-JOCHJYFZSA-N 471.045 5.213 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)ccc1F 1828356111 BKILFOHGGCVRBC-KFVWQZTJSA-N 499.586 5.319 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1Cl 1828422155 LHWWTANJYFLZSM-RDPSFJRHSA-N 495.973 5.363 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1828827653 QMCCEMOFQSCZTL-YKSBVNFPSA-N 483.056 5.147 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828908717 UHYTXDYVJBZXSG-KCWPFWIISA-N 491.752 5.598 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3ncccc23)CC1)c1ccccc1 1829035064 KRTQYCYNXCTKEZ-LSYYVWMOSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)ccc2Cl)CC1 1829071758 ZMDVDHJOCLGYDK-QHCPKHFHSA-N 461.046 5.574 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1829708050 SFRMSEVBHCYKFN-AREMUKBSSA-N 493.047 5.566 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1829953494 CEKSTNGLVZHWNS-IQWMQGJTSA-N 475.555 5.160 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cccc1C(F)(F)F 1830016666 LPUGXJFNVCCEMQ-XMMPIXPASA-N 483.534 5.433 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)c3ccc(O)cc3)CC2)c1 1830341422 ZIJPBIJCDVKYJJ-LGVUCKNBSA-N 473.617 5.056 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C)CC1 1830359683 ZFWRWVQYPCHKQC-LOSJGSFVSA-N 497.680 5.088 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578847 IZAKYSNSBZUQAS-HXUWFJFHSA-N 454.920 5.006 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-n4cccn4)cc3)CC2)c1 1830593482 DWJVDZGGKBYJIU-SKCUWOTOSA-N 495.627 5.046 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)c1 1830715772 OEKCERUOFVBCHC-NDEPHWFRSA-N 496.586 5.306 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831031670 JYJCMSIXMMKFNC-HRAATJIYSA-N 476.543 5.027 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)CC1)c1ccccc1 1832349391 GYYJZYFFUGZHEP-FDFRSNTISA-N 489.685 5.282 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1 1832554611 OCOWTWVWPRNSGH-NDEPHWFRSA-N 469.629 5.302 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)ccc3OCC)CC2)CC1 1836697805 WGSLAEASIQFDBR-UHFFFAOYSA-N 489.056 5.119 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1838750626 PBIRIGXXMSLPKF-MRXNPFEDSA-N 467.437 5.126 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(Br)c3ccccc3c1)C2 1844201856 ZHQWHVPSLHTVOS-HXUWFJFHSA-N 467.407 5.188 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC23CN(C(=O)CCCC#C[Si](C)(C)C)C3)c1Cl 1846784375 GBSIADOZMBMSOR-UHFFFAOYSA-N 465.497 5.170 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc3cccc(F)c3c2COc2ccccc2)n1 10635968 ASHRWXQKEWEQCI-INIZCTEOSA-N 480.542 5.418 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 10832979 GTFUYUIYNAGDEW-UHFFFAOYSA-O 492.089 6.948 30 20 JKED Cc1cccc(C)c1N/C(S)=C(\C(=O)c1cc(C)n(C)c1C)[n+]1ccc(Cc2ccccc2)cc1 11153456 DHZVTQLIGMVADQ-UHFFFAOYSA-O 482.673 6.188 30 20 JKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 15231705 TUHHBBRWJSBEDP-MRXNPFEDSA-N 450.391 5.366 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 15248106 NEIPRZTZGRPFCQ-UHFFFAOYSA-O 486.444 6.219 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)NCc1ccc(OC)cc1 22692624 HEORBJQOGHDATJ-UHFFFAOYSA-O 474.433 5.581 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C(C)C)cc2)cc1 22728639 UXKYVFNGSGHIOW-UHFFFAOYSA-O 481.632 7.330 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(CO)c2)s1 22733137 LFWNMDNGOAYTMJ-UHFFFAOYSA-O 452.408 5.194 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 22790699 KCFXRUXFGQZZLE-UHFFFAOYSA-O 455.647 5.113 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C 23518857 FRUJGTKQDQDBDH-QZTJIDSGSA-N 466.582 5.031 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 23604175 FQXWWSVZEPAYQX-OAQYLSRUSA-N 482.613 5.124 30 20 JKED Cc1cc(-c2cc(/C(O)=N/c3nc(CN4CCOCC4)cs3)c3cnn(C(C)C)c3n2)c(C)s1 24030395 QXIMKZNOLNGWAE-UHFFFAOYSA-N 496.662 5.283 30 20 JKED C[C@@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccccc1-c1ccccc1 24345937 HZBCKTQCSICGEU-GOSISDBHSA-N 493.592 5.574 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(C)c2)c1C 28695789 MGIFSRXJYBMPPE-UHFFFAOYSA-O 474.528 5.500 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)nnc1-c1ccccc1 29809020 YLCNJVXBFUHSDD-IBGZPJMESA-N 475.599 5.256 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)CC1 46705691 XULUKSMLNOGJKX-QFIPXVFZSA-N 476.533 5.129 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 60367472 BOFRXFOOIVNGBT-NRFANRHFSA-N 457.500 5.073 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 72025331 VFXXMGIOKQTIQD-UHFFFAOYSA-N 459.452 6.164 30 20 JKED CC(C)c1nnc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1Cc1ccco1 96248598 MOEYASVAUVMCIM-CPEHUTGBSA-N 450.608 5.404 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(C)c1NC(=O)c1ccncc1 110480899 VJQBYOKGPJDJSF-UHFFFAOYSA-N 463.497 5.262 30 20 JKED N#C[C@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc2cc(Cl)ccc2s1 195664178 OFZUYPHMEVXGSZ-GOSISDBHSA-N 472.957 5.755 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccccc1F 216106385 RLIAAQOAFUNXJQ-AWEZNQCLSA-N 460.962 5.360 30 20 JKED C=CCN(Cc1cccs1)C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 253610159 XTILAFGPZSFRKF-UHFFFAOYSA-N 459.662 5.175 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 303315641 SCZAKZQCPCJTMU-LJQANCHMSA-N 468.582 6.052 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)c2)cc1 409780523 UXAXQPLIOLKUMY-SHQCIBLASA-N 455.558 5.621 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 490648325 JWVIRVZFMZMESJ-UHFFFAOYSA-N 481.508 5.194 30 20 JKED CCOc1ccccc1Nc1nnc(SCC(=O)N(CCC#N)c2cccc(C)c2C)s1 501535182 VREQALDPCHVCHA-UHFFFAOYSA-N 467.620 5.336 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 502681074 PRZKRMMMKNVQEZ-ROUUACIJSA-N 490.417 5.418 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 507888589 MYPYSXLIAHQFGP-UHFFFAOYSA-N 495.988 5.043 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1ncc(-c2ccccc2Br)o1 509578348 HNRFTQDASSKJEO-UHFFFAOYSA-N 454.324 5.334 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2nccs2)cc1Cl 510302918 HKQLPNCDOYZMGY-GMAHTHKFSA-N 486.984 5.296 30 20 JKED C[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)S(=O)(=O)c1ccc(F)cc1 512005674 HZZMKIJFLOJODG-LSDHHAIUSA-N 462.612 5.101 30 20 JKED Cc1ccc(Sc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2[N+](=O)[O-])cc1 513162348 XLYGHYDYCIEBAP-QGZVFWFLSA-N 457.433 5.958 30 20 JKED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(OC[C@@H]2CCCO2)c1 513879003 XHRLBMMLHOZMPN-VWLOTQADSA-N 473.548 5.798 30 20 JKED Cc1cc(Br)cc(C)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513999480 MUNQVRVRJHRMHG-UHFFFAOYSA-N 466.354 6.311 30 20 JKED C=CCOc1ccccc1CN(C(=O)CCc1nnc(-c2ccsc2)o1)c1ccc2c(c1)OCO2 514772096 JRSSNHBKHGQTEH-UHFFFAOYSA-N 489.553 5.258 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 515421509 JRSMXTOBOFVVSQ-FQEVSTJZSA-N 473.429 5.894 30 20 JKED C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 515649803 ZTDUPGHCHWBHFQ-FGZHOGPDSA-N 469.585 5.193 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(OC)c1OC 515708775 GBCVKICGVSPDJY-UHFFFAOYSA-N 466.921 5.601 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 515796785 PESKOFITPSASBH-UHFFFAOYSA-N 485.918 6.099 30 20 JKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cc2c(cc1Br)OCCO2 517473724 RPPHTQHQAGKTDK-KGLIPLIRSA-N 476.396 5.355 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] 517800790 JBCBRZYORIKOJX-LJQANCHMSA-N 476.583 6.218 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)c2)cc1 517844720 VDAHSWFJZOXCHM-UHFFFAOYSA-N 470.554 5.030 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(CC1CCCCC1)C1CC1 519440537 LKIVPSLEXSNTSC-UHFFFAOYSA-N 453.530 5.221 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 520103495 PXPGFBOIVPYPDN-RUZDIDTESA-N 492.044 5.307 30 20 JKED CCCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H](CC)c1ccccc1 520183446 ZJJNXFDCZDMBBZ-HXUWFJFHSA-N 451.621 6.097 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 520188580 GBLPQCDMAPTMBA-INIZCTEOSA-N 469.563 5.273 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c12 520439094 NUBAUILCNRPYRK-UHFFFAOYSA-N 491.580 5.173 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 521805963 QVSDBSPVZIXSCP-HNNXBMFYSA-N 476.583 5.205 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc1C 552694568 HHXISRSLCRYEJE-UHFFFAOYSA-N 478.478 5.537 30 20 JKED O=C(CCc1ccc(OC(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589306203 OJUFYGKWUYUQLT-ITGUQSILSA-N 451.329 5.544 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)n2)cc1 591861699 BYCRIUDFNYSXJN-QFIPXVFZSA-N 493.592 6.301 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 603496807 CWOFZHYKDHLDNH-UHFFFAOYSA-N 455.326 6.204 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 603742880 JIQAAAVXPSSHKZ-HNNXBMFYSA-N 453.420 5.235 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)C2)c1 604100747 OUMDTKJOZFMEFH-NRFANRHFSA-N 469.545 5.245 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1 608850282 GKHPYFNPLIYZBG-UHFFFAOYSA-N 457.917 6.017 30 20 JKED COc1ccc(OC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 609078810 PRNUCRPWGBQNCC-UHFFFAOYSA-N 471.557 5.530 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609087499 TVBKVWVXADSKHG-SFHVURJKSA-N 461.949 5.257 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1C#N 609111241 CGWWFDWJKNNBMK-UHFFFAOYSA-N 460.009 5.461 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)c2)cc1 609209996 ZZELLKRCHVKBQQ-HXUWFJFHSA-N 483.503 5.951 30 20 JKED N#Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)nc1 609342992 KUDPZEKPCBQAAC-UHFFFAOYSA-N 463.381 5.833 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 609428358 QQHVWFASRPIVAX-UHFFFAOYSA-N 483.572 5.370 30 20 JKED C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 613407066 GZTLBKWGXZPOGO-KSSFIOAISA-N 474.007 5.003 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 613905192 CVZSQCRHIFVKOQ-LJQANCHMSA-N 474.417 5.289 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCC(C)(C)c2ccccc2)cn1 726117389 YJZHHEQTVNNSFH-QHCPKHFHSA-N 489.645 5.231 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C#N)c(Cl)c2)s1 726405109 BUQNZXBXZDHUQZ-OAQYLSRUSA-N 495.029 5.742 30 20 JKED CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=S)Nc1ccc(C#N)c(Cl)c1 726481717 WPLITMUACRFHTK-UHFFFAOYSA-N 455.990 5.782 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)c(C)c2)c1C 727252985 WACILOIEZYTDST-XMMPIXPASA-N 489.645 5.297 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccccc3Cl)n2)cc1C 727562452 CEMSZYFBEWQZIB-UHFFFAOYSA-N 453.951 5.184 30 20 JKED COC1CCN(c2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2C(F)(F)F)CC1 728009886 CHKHPPCUTJRMRN-UHFFFAOYSA-N 499.489 5.617 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccccc3C(F)(F)F)cc2Cl)c1 728052363 BASKSHQNGWWZMQ-UHFFFAOYSA-N 459.855 5.860 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)Nc3ccccc3Cc3ccccc3)o2)cc1 728108404 HIDRAFOLENRYOY-UHFFFAOYSA-N 466.493 5.117 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(CC)Cc2ccc(C(=O)N(C)C)cc2)c1=S 728284735 UUCURDMYURWTCX-UHFFFAOYSA-N 491.705 5.746 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3ccccn3)C2=O)cc1 728420214 AZFBSCMMBYZONK-RUZDIDTESA-N 491.576 5.267 30 20 JKED C[C@H](NC(=O)C(=Cc1ccc(O[C@H](C)C#N)cc1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 728694971 OJBZLPPQZHPCBD-VSKRKVRLSA-N 467.569 5.116 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCCCC#N)C2=O)c1 728776851 BSHLCTBJOQBRMH-HJRKGTFPSA-N 468.648 5.449 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1ccc(N2CCCC2)cc1 728923897 RLQSGKYVGQUYFI-UHFFFAOYSA-N 457.555 5.105 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3scnc3C)C2=O)cc1 729144142 CBZKKKXSZDVJLB-FQEVSTJZSA-N 482.606 5.368 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(C)c2)s1 730710605 OQJZZUQBLRWMKS-PXNSSMCTSA-N 479.631 5.185 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2cocn2)c1 730714383 XLHZQABDTNSQER-SFHVURJKSA-N 489.384 5.450 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(C)c1OC(F)F 730921045 UNNPATSWERBTKO-LJQANCHMSA-N 450.441 5.658 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3c(C)noc3C)C2=O)cc1 743524134 HQLQYFHAWFUXMC-JOCHJYFZSA-N 480.565 5.208 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1C 746696564 PRFYVDCGXGFOOW-JOCHJYFZSA-N 471.598 5.220 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCCOC2CCCC2)C1=O 747041972 CYSNHQXKNHBMNI-QHCPKHFHSA-N 499.608 5.144 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3csc(C4CC4)n3)c2C#N)C1 747506723 JPBVTUCYOIMPEU-CQSZACIVSA-N 457.621 5.290 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(CCc2nccs2)C1=O)Nc1ccccc1F 747598273 ALGGQBZPYDDMKN-GOSISDBHSA-N 488.997 5.139 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c1 747600365 AQZURIGWPFMDNI-NRFANRHFSA-N 496.633 5.609 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCc3cccs3)C2=O)cc1 837301336 WFSTYPUGFBYPHH-QFIPXVFZSA-N 495.601 5.293 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 914543529 JHZFXVYHMPOQTL-NRFANRHFSA-N 495.004 5.213 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1 914545342 AOTCTXMEYQLYAX-DEOSSOPVSA-N 489.597 5.002 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)Cc2ccco2)c1 914690871 ICQPOYIJPJVNPP-YADARESESA-N 491.613 5.497 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](C)Cc2ccco2)C1=O 914694991 ZZQOCHXHFOOMSH-AOMKIAJQSA-N 498.004 5.533 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)CC1 915006709 YRPLIJJMMWPXQK-UHFFFAOYSA-N 488.971 5.483 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnc1-c1ccccc1C 915087341 SLPXZHVHHGBGHY-DEOSSOPVSA-N 467.598 5.660 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CC1CCC1 915111675 OKPYRBMFXKHLTH-QFIPXVFZSA-N 451.592 5.072 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccn3)C2=O)cc1 916210382 CVQLTZKCVCXVJM-HSZRJFAPSA-N 492.576 5.170 30 20 JKED CCn1c2ccccc2c2cc(C=Nn3c(S)nnc3[C@@H]3COc4ccccc4O3)ccc21 916319604 BUSFZYVLSYIBND-QHCPKHFHSA-N 455.543 5.089 30 20 JKED N#Cc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cc1 916600009 APJDPLAGMUMGGX-UHFFFAOYSA-N 471.513 5.211 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 916721117 WLDWZYXMFDECSA-UHFFFAOYSA-N 472.614 5.207 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 916721121 WPRYPKQRJAZAKY-HHHXNRCGSA-N 455.558 5.309 30 20 JKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)[C@@H](C)Oc1ccccc1C#N 916879306 QLRTWKJHLFVPFF-GOSISDBHSA-N 466.493 5.345 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916906458 UAPBSGAFPJVBJX-OAQYLSRUSA-N 471.513 5.632 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1 916928248 XEYNUDVDUJDQHQ-GFCCVEGCSA-N 450.372 5.377 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1OC 916933001 KQQNLIZEQGDULW-FQEVSTJZSA-N 484.430 5.476 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3ccccc3)cc2)cc1 916942575 MJGZOTIXVQNTFH-QHCPKHFHSA-N 458.539 5.117 30 20 JKED N#C[C@@H](C(=O)CSc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997297 VBZULYPYXHBQOR-HNNXBMFYSA-N 477.394 5.857 30 20 JKED N#C[C@@H](C(=O)c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997902 ZXOXUTRGRJRUPE-KRWDZBQOSA-N 456.354 5.734 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(Cl)c2c(c1)OCO2 917026837 PNASYTHUSUPROZ-UHFFFAOYSA-N 458.326 5.351 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl 917029992 RFTUDCCUZLDEGH-UHFFFAOYSA-N 473.389 5.316 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 917032564 KWWHIUOBKJGAHX-UHFFFAOYSA-N 477.329 5.472 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917043554 MYPAXZDPWWQLJG-AWEZNQCLSA-N 485.350 6.187 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 917043710 MVNBIPMLMNNWHP-SFHVURJKSA-N 487.503 5.540 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cccc2c1=O 917046572 LBLGKFYWEQCEJY-IBGZPJMESA-N 470.937 6.522 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cc(C)cc(C)c1 917375087 QSYACIJGSYSUTP-HSZRJFAPSA-N 488.016 5.572 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)n2)cc1 917428447 UIJUQOLJUJSARV-RBBKRZOGSA-N 458.587 5.547 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 917505174 KJIUFDZDURWOKI-SXAWMYDMSA-N 480.973 5.795 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 917663889 PUJITRFIZRZTGD-SBUREZEXSA-N 494.592 5.076 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(C)C)c1 917712111 DVXAORGYVVNPPQ-QHCPKHFHSA-N 481.618 5.009 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 918446771 ANUJIWJNVOPBHY-XNMGPUDCSA-N 497.957 5.979 30 20 JKED C=CCN(C(=O)COC(=O)CCC(C)(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919292058 HLOJGIYIGXIJFM-UHFFFAOYSA-N 463.333 5.615 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cc2Cl)cc1 919774361 LNARVPVSRSEWLR-UHFFFAOYSA-N 462.937 5.162 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 920174685 DLGBKBQJBVZPSM-KOSHJBKYSA-N 470.598 5.292 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(C)c(C)c2)no1 920351572 AYZFKMLRLHCEKW-NRFANRHFSA-N 482.993 5.414 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 920355060 HPDNDKWQIYOIOS-DEOSSOPVSA-N 490.629 5.631 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@H]2CCCO[C@@H]2c2ccccc2)C1=O 920358792 BFXBFIAIQSOAEL-KTIWRFAQSA-N 487.625 5.075 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 921106131 YQTVZILUERLEEP-ZDUSSCGKSA-N 477.970 5.465 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 921215792 BPHYNWMPHQMOGX-UHFFFAOYSA-N 466.515 5.593 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 921249671 MTVGEEWFYJRAHB-KFGODFMUSA-N 483.688 5.737 30 20 JKED CCOc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 921263636 HVBANEXDEISCLW-IUXPMGMMSA-N 491.471 5.401 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)C1 1781685431 IFXDYVMVYHQTDW-SHQCIBLASA-N 485.068 5.022 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5c[nH]nc5cc4Br)CCC3)cc2)C1 1785808590 QNSSBTPLDLSSTI-UHFFFAOYSA-N 479.378 5.039 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1 1786076382 IABWYBYROYRQSH-OFNKIYASSA-N 481.637 5.336 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1 1786591532 ZDZLATYJKPBLAP-MUYFXNHWSA-N 467.532 5.290 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c(C(C)C)nn4ccccc34)CCC2)cc1 1786678539 YWHYDMYPDXQVOM-UHFFFAOYSA-N 462.619 5.125 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CCC1 1787769844 AVMYZCVNCLSNMA-QGZVFWFLSA-N 475.511 5.183 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnn4c(-c5ccsc5)ccnc34)cc2)CCC1 1788394773 QHNVXADGXNRVFA-SFHVURJKSA-N 485.613 5.418 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)c1 1788787671 FIMDNORNTWZYHN-UHFFFAOYSA-N 482.437 5.173 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)cc2)CCC1 1789220375 LXKIFZLLTQWOID-XMMPIXPASA-N 487.629 5.032 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1789558028 BJMLJEPWMYAURX-KSWAXPHNSA-N 494.979 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1789625531 HUTDEMCPAMAOGA-ONOMSOESSA-N 495.664 5.512 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)ccn4)CCC3)cc2)ccc1F 1790520928 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C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@]34CCN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791589654 NNZQXIYXFPDCKY-CUNXSJBXSA-N 481.637 5.124 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cn4cnc5ccccc54)CCC3)cc2)c1 1792126628 HWRHLFHUKLLPOC-FQEVSTJZSA-N 477.568 5.111 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccn5nccc45)CCC3)cc2)cc1C#N 1792168635 CGBXEFSUJPWIOE-UHFFFAOYSA-N 493.567 5.055 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)ccc4Br)CCC3)cc2)CCC1 1792228803 IDTZNNYUXXUYAE-UHFFFAOYSA-N 470.342 5.030 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3)CCC2)cc1 1792331111 JMAFCIJWNBCQLN-JOCHJYFZSA-N 496.007 5.004 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C)C2 1792567393 JPSLFOYJHVTYQX-JTOYRKQZSA-N 497.680 5.191 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1798339705 ACORKEQSNGGEFK-YRPNKDGESA-N 479.448 5.801 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(O)c3cc1OC)C2)c1ccccc1 1798556824 JTUKSJJDHDHHGY-NDBXHCKUSA-N 496.607 5.003 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccoc2c1-c1ccccc1 1799115921 VHBZMTCORIUPMF-PHUPPOLUSA-N 499.592 5.180 30 20 JKED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800812809 YFSMBYNXAHFBDJ-CAUSLRQDSA-N 499.611 5.685 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1802500167 LGGDRJYZVQQJMS-BKMJKUGQSA-N 493.623 5.322 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1Cl 1802732864 WCTKFIHUJKJGSD-RDPSFJRHSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1803079943 STSDSRZCGUYFKQ-SQHAQQRYSA-N 463.597 5.018 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1803091220 YZCAMDGITNVWEL-BJTUFNSYSA-N 451.655 5.318 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1803094011 ZBEZGLHPYFVIFC-ZJSXRUAMSA-N 485.550 5.497 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1803216224 ASURIMODBATKJD-PVHODMMVSA-N 459.634 5.296 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1806591160 HZGIOWRFQNXDKV-DHLKQENFSA-N 485.550 5.117 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C(C)(C)C)s3)[C@H]2c2cccnc2)c1 1808802384 LKNDCCUAHMCHLB-SQJMNOBHSA-N 486.641 5.254 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809211979 HPRIXPGRTMOHSS-SGXKBVARSA-N 468.022 5.482 30 20 JKED Cc1c(C(=O)N2CCC3(CCCN(C(=O)C#Cc4ccccc4)C3)CC2)[nH]c2c(Cl)cccc12 1809292754 CKOQJUVQZBRGKA-UHFFFAOYSA-N 474.004 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1810175771 VQIJCLLVDBIPHA-IWVFXYMLSA-N 497.614 5.976 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCSCc2ccc(C)cc2)[C@@H]1c1cccnc1 1812951542 FTJRCEAQTCSEDD-IAPPQJPRSA-N 491.701 5.488 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc4occc4c3)[C@H]2c2cccnc2)c1 1813865552 GVYGZLMIAIIGGF-JRLVAEJTSA-N 478.552 5.088 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1814109179 QHPVFLCVFGCMTR-ATIYNZHBSA-N 478.036 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1814261296 QANHWUKDBDEKSA-AQWPBTGESA-N 484.644 5.583 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)[nH]n2)C1 1814397466 KCEUVYFVKGTBAR-DEOSSOPVSA-N 456.546 5.474 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)[nH]n1 1815242945 JOERBRCLNMVIGR-OFNKIYASSA-N 499.587 5.010 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818163892 KPMLSKZUCFGQKW-GOSISDBHSA-N 465.941 5.179 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 1818286252 CLZKRANNLHGFEH-QWHCGFSZSA-N 491.038 5.038 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1 1819384837 ANGIGYCIAIVATM-SFHVURJKSA-N 477.106 5.482 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)[nH]n1 1819554524 FHYNYIMUMMSBQF-JOCHJYFZSA-N 462.594 5.227 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)s1 1820551015 DYTFRYVPJOJSQH-FQEVSTJZSA-N 476.606 5.090 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)c(F)c2)n[nH]1 1820636977 MIHNLUCLJYABRL-OAQYLSRUSA-N 472.612 5.045 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]n2)cc1 1821179231 SYPJGVKNLWJCAI-VWLOTQADSA-N 481.600 5.294 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)[nH]n2)c(Cl)c1 1821274868 QPNUZIXDPDKDHT-LJQANCHMSA-N 475.927 5.066 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274897 ROWQPKOIXQFGMJ-GLHYLFFDSA-N 479.993 5.406 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821856997 LLXRXXNCIXHKLP-RCZVLFRGSA-N 487.044 5.478 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)[nH]n1 1821983785 KJFRNHRTCGBBQC-NVQXNPDNSA-N 496.558 5.328 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)[nH]n2)c1 1823214402 DJXQYZYISAOMGC-MGPUTAFESA-N 472.574 5.199 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1 1823753548 AJXPXRWVDWJMAP-NRFANRHFSA-N 465.560 5.326 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 1823753724 YTIQQJJSXWUFFT-XMMPIXPASA-N 463.622 5.567 30 20 JKED CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CCCC1 1823847877 NFCNESIMDALSDF-QFIPXVFZSA-N 486.454 5.134 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccc3ccc([N+](=O)[O-])cc32)CC1 1824371352 NYWCVROYFRCMMF-DEOSSOPVSA-N 494.636 5.162 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1 1824760120 CGEDZAHGNOVFHN-RPBOFIJWSA-N 497.680 5.006 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3nccc4occc34)CC2)c1 1827307079 ZPVQFNZWPYIDND-DVECYGJZSA-N 470.573 5.002 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1)c1ccc(O)cc1 1828045053 BNGXEPOBHULDKI-IRPSRAIASA-N 497.639 5.304 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)nc3ccccn23)CC1)c1ccccc1 1828067336 AAHUFMFLOSHCOO-SVBPBHIXSA-N 496.655 5.073 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1828825109 RDAFMBBVHJACAQ-ISKFKSNPSA-N 497.083 5.552 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1828827053 QRZDWYDFLCCBTQ-XTEPFMGCSA-N 471.645 5.750 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1828828948 VEJNFASIJUPUNF-JYFHCDHNSA-N 499.659 5.331 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2)CC1 1828906925 QCSYKFRHHMRKFQ-DEOSSOPVSA-N 456.678 5.110 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2cccnc2)CC1)c1ccccc1 1829035990 YLAAIIWMFOLXFA-WDYNHAJCSA-N 485.672 5.221 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1829068170 JBVGYGJBGLOKMW-HSZRJFAPSA-N 491.717 5.294 30 20 JKED Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689530 IDOCDYATYHJCHZ-QHCPKHFHSA-N 467.972 5.206 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)c1 1829776191 MUFAKFLIOCOTBD-HXUWFJFHSA-N 481.021 5.302 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1 1830007711 WJPJVCPLQFFAED-JWQCQUIFSA-N 497.680 5.006 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1830416618 KPZFSAQNCLPYQW-IIBYNOLFSA-N 468.425 5.028 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1830421192 JCXQQNJTIKGUFG-SANMLTNESA-N 463.666 5.327 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1830624661 FTRIBCURDVPBIW-SANMLTNESA-N 482.741 5.288 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)ccc2[nH]1 1830632754 YHMUEUFIFQMSCM-HHHXNRCGSA-N 468.601 5.090 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830717962 AQBOFRUGTNSYLB-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 1831367268 GOIGBPMIGRWPEE-KKSFZXQISA-N 465.407 5.034 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1)C(F)(F)F 1831452783 BXHGTNXTLMYLCU-HSZRJFAPSA-N 477.571 5.029 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)CC2)C1 1831719114 PFWWWXRJYOOLBL-HJOGWXRNSA-N 485.466 5.139 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1831851609 NIJSXFUTFMOUCY-MUUNZHRXSA-N 494.639 5.334 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832031617 RVHALUGYBDSKJO-RUZDIDTESA-N 468.613 5.041 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)c1 1832632166 LPJQZGGBFPKRML-LAUBAEHRSA-N 453.970 5.107 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)c3cccs3)CC2)c1 1832633385 HECWELSKEWUEFC-YOSAUDMPSA-N 463.647 5.412 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)CC1 1832681322 BUBBJNOAJUSIRM-RRPNLBNLSA-N 464.650 5.477 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)CCC1 1832781288 VLSAVSPWRFEQKG-UVIRAJKCSA-N 473.539 5.032 30 20 JKED Cc1ccc(CCC(=O)N2CCC(OC3CCN(C(=O)[C@H](S)C(C)C)CC3)CC2)c2ccccc12 1836884382 JPIKUVMCTRALSM-MUUNZHRXSA-N 496.717 5.034 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2 1844253160 ZQMVZTJGDOUMJN-UHFFFAOYSA-N 487.676 5.296 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1ccc(-c3nc4ccccc4[nH]3)cc1)C2 1844253393 AQLDRAJCHRUFEP-UHFFFAOYSA-N 498.703 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCc1ccc(C(F)(F)F)cc1 1847265884 WHTAURLBFATAJS-SFTDATJTSA-N 450.545 5.222 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 11128177 SKJCBTUJADOOFW-UHFFFAOYSA-O 474.484 5.514 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 11167828 CPHOMXJXCCREPK-UHFFFAOYSA-O 465.642 6.541 30 20 JKED C=CCn1c(SCc2csc(-c3ccccn3)n2)nc2sc3c(c2c1=O)CCCC3 12472496 JFNIVCHZFXDYRX-UHFFFAOYSA-N 452.630 5.334 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 14872185 ZUTMNJIVUDUZEU-UHFFFAOYSA-O 486.488 7.192 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccc3c(c2)CCCC3)cc1F 14872303 MRRGCVNCYKZHBY-UHFFFAOYSA-O 488.435 6.658 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 15151949 FSXFUPRMDAZBGN-OAHLLOKOSA-N 467.641 5.342 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2cccs2)nc2sc(-c3ccccc3)cc2c1=O 16715738 NRMRROMNKTVLJX-OAHLLOKOSA-N 467.641 5.170 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 17343406 JDAMMVXPDZVYST-UHFFFAOYSA-N 467.576 5.525 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccc(OC)cc1 23554230 YPOZPMIMCXMXCF-UHFFFAOYSA-N 470.598 5.461 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)n(-c2ccc(F)cc2)c1C 24876468 SBUQWPCJQULBIY-UHFFFAOYSA-N 481.940 5.539 30 20 JKED C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 26982385 USRJHQYYPDZUSU-INIZCTEOSA-N 474.565 5.328 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)c2)c1 32291754 AMJZORIQEDYKKP-UHFFFAOYSA-N 487.968 6.357 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(Cc2ccccc2)n1 109905668 YUYGDXNDWZTFTP-UHFFFAOYSA-N 459.384 5.393 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 195648945 IGIVUZKRKXQDGB-GCJKJVERSA-N 481.021 5.026 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1ccncc1 255929656 JWDMOZFHGIMLBG-QHCPKHFHSA-N 471.586 5.397 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c(C)[nH]c2ccccc12 255930862 PDWQMOHXLJBEPA-UHFFFAOYSA-N 452.967 5.461 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)cc2)cc1 303065036 VLMAPYGPAFTXOI-UHFFFAOYSA-N 475.548 5.995 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 477651524 JCNSIYWNVMZVOT-QHCPKHFHSA-N 463.969 5.239 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3cc(F)c(F)cc3s2)nnc1-c1ccc(Cl)cc1 478493379 ZNEINPOVFLBSLF-UHFFFAOYSA-N 477.949 5.403 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 484334225 NLRJUYUJNSLEPQ-UHFFFAOYSA-N 473.548 5.791 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)s2)cc1 487389104 SXALSRJFVYBCPT-UHFFFAOYSA-N 465.538 5.085 30 20 JKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)CC1 489474994 BXGWWGOGZSSDAE-SILNSSARSA-N 452.514 5.396 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1noc(-c2ccc(Cl)cc2)n1 490987629 INQQGBWGYONUQB-UHFFFAOYSA-N 474.373 5.692 30 20 JKED CCOc1ccc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OCC 494646967 IXGNKVFYVIEVSG-FQEVSTJZSA-N 460.578 5.369 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 498365186 ROAZPRLWVHHMPC-UHFFFAOYSA-N 451.798 5.224 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cc1OC 499014322 PJINKCZEUOSBRT-UHFFFAOYSA-N 459.329 5.029 30 20 JKED COc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC(F)F 500193415 WKAZWOOEPNZMES-UHFFFAOYSA-N 467.472 5.263 30 20 JKED CCCOc1c(Cl)cc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)cc1OCC 501754316 XFZKMWKVFAKTPT-UHFFFAOYSA-N 470.982 5.559 30 20 JKED Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 502615038 KWACVLMMHIRHMK-SFHVURJKSA-N 453.502 5.433 30 20 JKED CCc1ccc(OCc2nnc(SCC(=O)c3ccc(C#N)cc3)n2[C@H](C)c2ccccc2)cc1 503740645 SIALOAKNSFMXHR-HXUWFJFHSA-N 482.609 5.875 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](NC(=O)NCc1ccc(F)cc1)C(C)C 505437492 BZBUNWYBVJZYJJ-SANMLTNESA-N 488.563 5.047 30 20 JKED N#CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 505501590 QWRFBIFZXKYTBV-NRFANRHFSA-N 472.376 5.018 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3sc(N(CC)CC)nc3s2)cc1 508165542 SCFLYTFAEHEQIM-UHFFFAOYSA-N 454.621 5.271 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@@H](c3ccccc3C)C2)nnc1-c1ccc(Cl)cc1 509092392 BPNBWYCZEQVOPS-LJQANCHMSA-N 453.011 5.201 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 509674318 VUTMGWJYWBLFCL-UHFFFAOYSA-N 459.461 5.403 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 509922497 DHCSSUBSOSFFSQ-GOSISDBHSA-N 457.965 5.422 30 20 JKED Cn1c([C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccccc2)nc2ccccc21 510668957 JVJGZFQEFAVQEH-XMMPIXPASA-N 478.581 5.403 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 510683605 QKZQQJVXEMVSPL-SFHVURJKSA-N 475.936 5.282 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513202715 SXXRLTBICQFRTO-INIZCTEOSA-N 460.433 5.262 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)cs1 516270039 LCJKYKBCEOQNQZ-OAQYLSRUSA-N 472.620 6.229 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](c3ccc(F)cc3)C3CCC3)s2)cc1 517115710 YRPRTNJDLDDAGZ-IBGZPJMESA-N 453.568 5.504 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 517130024 RMNXWWSKRPPCPM-MRXNPFEDSA-N 482.367 5.602 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CSc3nnc(-c4ccc5ccccc5c4)o3)c2)cc1 519125557 PSMOLEZCMFIZFD-UHFFFAOYSA-N 478.533 6.285 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1 520197955 VFEGTJBSADMIHN-WMZOPIPTSA-N 450.633 6.704 30 20 JKED COc1ccc(C(NC(=O)CNc2ccccc2Oc2ncccc2C#N)c2ccc(OC)cc2)cc1 521403618 JTAFWXDEEIRRSI-UHFFFAOYSA-N 494.551 5.080 30 20 JKED CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@H](C)c1ccc(F)cc1 521739088 PULNGQYBMMEBLW-CQSZACIVSA-N 467.488 5.398 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)nnc1-c1ccc(Cl)cc1 522374865 RVDBDIHFCGRVRZ-UHFFFAOYSA-N 485.400 5.354 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)cc1OC 523558815 RPFDIFWYKZMMJK-QFIPXVFZSA-N 474.557 5.375 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccsc3)CC2)cc1Cl 533808913 VDCWUFPKZYQMON-QFIPXVFZSA-N 450.995 5.407 30 20 JKED C[C@H]1CN(Cc2ccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)cc2)C[C@H](C)O1 559872007 WNSMQHYLYWTEJU-GOTSBHOMSA-N 455.602 5.036 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(Cc3cccs3)n2-c2ccccc2)sc2c1CCC2 589943846 GZVIRWVZUGOTMI-UHFFFAOYSA-N 491.667 5.462 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 603601133 QWHNHYKICGPABQ-CQSZACIVSA-N 486.753 5.876 30 20 JKED N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 603648100 AZJFEZCRZHNTEU-UHFFFAOYSA-N 471.561 5.252 30 20 JKED CCN1C[C@H](CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)Oc2ccccc21 603831125 UZZLTWKXEBRPAA-DEOSSOPVSA-N 470.573 5.083 30 20 JKED Cc1nn(Cc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)c(C)c1[N+](=O)[O-] 603846323 OPRFDGWMKYVTJD-QGZVFWFLSA-N 499.474 5.575 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003916 MAVHYXXCCUSVNZ-GOSISDBHSA-N 477.561 5.170 30 20 JKED COc1ccc(OCc2nnc(S[C@@H](C#N)Cc3ccccc3)n2-c2ccccc2F)cc1 604012376 JWWNWFWPRSLRIS-OAQYLSRUSA-N 460.534 5.221 30 20 JKED CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604154977 ZIDSQVKHOVNNPU-FQEVSTJZSA-N 496.792 5.355 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccc(Oc4ccc(Oc5ccccc5)cc4)nc3)CC2)nc1 608949923 GFKMKKNWSMZAFP-UHFFFAOYSA-N 491.551 5.332 30 20 JKED COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609068718 PJQREUNVDQMLJR-UHFFFAOYSA-N 491.352 5.031 30 20 JKED COc1cc(C)c(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609078812 PRUHVBORPGRFDU-UHFFFAOYSA-N 459.546 5.435 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)N2CCCC2)cc1 609078888 SQCMGMWGIOAXLW-MUUNZHRXSA-N 484.600 5.413 30 20 JKED CCOc1ccccc1[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)NC(C)=O 609115976 QMQYPRKNLXOGSL-DEOSSOPVSA-N 491.975 5.395 30 20 JKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(OCc2ccccn2)c1 609209822 OWGGOKIDBQCMLZ-HXUWFJFHSA-N 464.525 6.207 30 20 JKED C=CCN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609215360 DBJPUZRBDABREW-UHFFFAOYSA-N 498.564 5.828 30 20 JKED COc1cc(C(=O)NCc2ccc(C#N)cc2F)ccc1OCc1ccc(Br)s1 609229497 VTMHNVAIUFWSRQ-UHFFFAOYSA-N 475.339 5.039 30 20 JKED N#CCCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 609375746 WKJMXCMSGHYCSI-UHFFFAOYSA-N 489.601 5.810 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609378320 CDKVPNFTOJRCIG-CYBMUJFWSA-N 467.538 5.789 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 609427548 JCMYFFUYIFHOQT-IAGOWNOFSA-N 461.547 5.809 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 609434145 XURUOAJYAKEQRK-LJQANCHMSA-N 497.534 5.033 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 609437089 PBVIAADMWBRAGS-UWJYYQICSA-N 492.567 5.295 30 20 JKED C[C@H](Oc1ccccc1F)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 616337457 UANDFVRKBHKIKO-NSHDSACASA-N 455.326 5.114 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1 725898501 ZFRLFUMOKUAZPL-UHFFFAOYSA-N 458.699 5.422 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2CCC(C)C)cn1 726113977 VTEFUBVOTDDJIY-SFHVURJKSA-N 495.621 5.224 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccccc4Br)n3C)n2)cc1 726325380 QTFNOFGFUJOXKW-GOSISDBHSA-N 492.398 6.077 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCCC3)C2=O)cc1 726403845 OBLRFQMJQCTRHQ-QFIPXVFZSA-N 496.036 5.181 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(F)(F)F)cc1 726414726 DXXKDXMLAXVSJX-SFHVURJKSA-N 483.487 5.136 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)S/C2=N/[C@H](C)c2cccs2)c1 726415252 GMMBNXCAWBPZJG-VBOMYQPLSA-N 493.654 5.024 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1cccs1)c1cccs1 726421214 ONJSHGVONSOKHU-DGMJRFSVSA-N 487.647 5.581 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(Br)cn2)cs1 727265176 KRUKROHSNLZICA-UHFFFAOYSA-N 450.749 5.085 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c(F)cccc1F 727626590 DECMYEPMJXQCLT-YJBOKZPZSA-N 459.905 5.185 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)NCCc2cccs2)c1 727813376 IXNPTOMAYXENMB-UHFFFAOYSA-O 480.679 5.184 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 728777113 IPEMAKZRSBXREY-QHCPKHFHSA-N 456.571 5.494 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 729035846 JCBZDAPNPHZYKX-JIPXPUAJSA-N 454.574 5.261 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 729146001 NWFCKVMOXVNQRJ-GOSISDBHSA-N 488.997 5.405 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)[n+]2cc(O)ccc2C)c1 730439911 GTRKZOIQRGUQKK-UHFFFAOYSA-O 493.608 5.872 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCOC)c1 730529091 JWRQILPKUNJKQI-SFHVURJKSA-N 480.417 5.163 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)nc2ccccc21 730685497 JFXYIZNHNADPDU-HXOBKFHXSA-N 450.325 5.877 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 730944704 FKZGEQQPEYDADT-KSFYIVLOSA-N 489.988 5.328 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730945134 NTQIHLQXUTWGIE-QMHKHESXSA-N 494.567 5.644 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 743525010 OIGSPUMVINJDBR-HTAPYJJXSA-N 462.550 5.251 30 20 JKED C[C@H](Oc1cccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)c1)C(=O)O 745020333 DCFBSMXFXANJKG-XEHSLEBBSA-N 458.333 5.321 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 745161786 CEGRZPHDJYTJOT-UHFFFAOYSA-N 458.547 5.019 30 20 JKED COc1ccc(CN2CCC(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 745268147 QAIOHULHUSZZDN-NDEPHWFRSA-N 468.601 5.384 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(C3CC3)C2=O)cc1OC 745989051 HVZPUIIOCYPHSL-FQEVSTJZSA-N 488.009 5.097 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C#N 746694024 KOFFLXRDLFZCTQ-JOCHJYFZSA-N 499.036 5.297 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C)c1C 746696226 KZHXFGFCOIVHQY-JOCHJYFZSA-N 453.608 5.080 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1 750158258 VFVPTGWUMMIRNA-UHFFFAOYSA-N 460.527 5.091 30 20 JKED CCn1nc(C)c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)c1C 750908068 CJXXCRYEHPVYMT-WYMLVPIESA-N 456.546 5.286 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)c2)c1 751088303 DNKJBQLZMWJWPN-UHFFFAOYSA-N 452.264 5.060 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 839415645 OAJXJDOFJHPDSL-UHFFFAOYSA-N 457.534 5.170 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1 904477810 NCGMYDNMVDOBOA-HXUWFJFHSA-N 479.968 5.843 30 20 JKED N#Cc1ccc(N2CCC(c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)CC2)c(F)c1 904507548 ADQLZEITNXXVNO-UHFFFAOYSA-N 459.456 5.458 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1nc(-c2ccccc2)cs1 913202896 DOHSNDQNXGVEDK-IBGZPJMESA-N 496.621 5.853 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2cccs2)no1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102890 KDGAQFXJMCUYIZ-HHUAMSDTSA-N 464.616 5.531 30 20 JKED COc1cc(CNCc2ccc(C#N)cc2)ccc1OCCOc1cccc(Br)c1 915682021 OXRVLOBEOWIOER-UHFFFAOYSA-N 467.363 5.077 30 20 JKED COc1cccc(-c2nc(C=Nn3c(S)nnc3COc3ccc(C(C)(C)C)cc3)cs2)c1 916321009 QYCWPYVDYFYVNX-UHFFFAOYSA-N 479.631 5.458 30 20 JKED CCOc1cc(C=Nn2cnc3ccccc3c2=O)ccc1OCc1c(Cl)cccc1Cl 916370032 QZAZPDCGVUCXRM-UHFFFAOYSA-N 468.340 5.563 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCCOc3ccccc3)nc2)cc1 916680151 FXVFNIASRCCEQP-HHHXNRCGSA-N 478.552 5.517 30 20 JKED COCc1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc2cccc(F)c12 916847691 TZSBSMITAQPJIB-LBPRGKRZSA-N 467.547 5.266 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1OC 916886093 DDXTWBYLUKZCCT-OAHLLOKOSA-N 489.525 5.103 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 916914355 ZARXYVFZVQHALZ-IBGZPJMESA-N 453.951 5.208 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc(Br)cc3)o2)c(OC)c1 917030068 RMXAQUYXUUJAMQ-UHFFFAOYSA-N 485.363 5.156 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 917041446 RTMYXJKAIRAPKG-KRWDZBQOSA-N 451.502 5.203 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)c1C 917205095 CPWCWRMTJANWDA-UHFFFAOYSA-N 470.598 5.847 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCCCC3)c(F)c2)cs1 917560287 VDMWPOYDYFKQHU-UKTHLTGXSA-N 463.578 6.162 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(C3CC3)C2=O)cc1 917652495 GWOLDMNJIJGSAX-QHCPKHFHSA-N 458.587 5.029 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2nc(-c3ccccc3)cs2)n(-c2cccc(F)c2)c1C 919121705 MMRADRMNQBZXRA-UHFFFAOYSA-N 474.517 5.024 30 20 JKED COc1ccc(NC(=S)NN=Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)cc1 920360962 YSNZSOGOOFZHNW-UHFFFAOYSA-N 493.536 5.176 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)C3)C2)cc1 1785081977 MXWKHTGMYGUNHB-GTYOFVGBSA-N 493.607 5.046 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1786372102 UJKFTRPTXPVFGQ-SFHVURJKSA-N 473.598 5.493 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)cc2)CCC1 1788375857 TYDGWRCUIBCTRV-OAHLLOKOSA-N 467.541 5.093 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)c[nH]1 1788817082 UNXJPLDIMCSDRP-UHFFFAOYSA-N 456.546 5.044 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4oc5ccccc5c4C)cc3)CCC2)c1 1788969446 WUGOPNPNUWBYKB-UHFFFAOYSA-N 479.536 5.683 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)CCC2)cc1 1789454818 FCRPBWBOMHIWBN-NRFANRHFSA-N 463.534 5.120 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)CCC1 1790394472 DKXVKATXOCTVBW-OUKQBFOZSA-N 483.593 5.345 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)CCCCCCC(=O)OC(C)(C)C)cc2)CCC1 1790560825 YKYJRXMQXMMSAC-SFHVURJKSA-N 462.656 5.121 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C4CC4)CCC3)cc2)c1 1790765268 XVJJAXWCPAOKHU-UHFFFAOYSA-N 460.534 5.093 30 20 JKED COc1cc2oc(C(=O)Nc3ccc(C4(NC(=O)CCC#N)CCC4)cc3)cc2cc1Br 1790875879 BTWVRZQPQKASEL-UHFFFAOYSA-N 496.361 5.255 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc4ccoc4c3)cc2)CCC1 1790894035 AUVFFIMULHOVSY-UHFFFAOYSA-N 465.509 5.131 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5cc([N+](=O)[O-])ccc5s4)cc3)CCC2)c1 1791009904 CRBHMHOLRGFUQZ-UHFFFAOYSA-N 485.525 5.071 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c(CC)nc4ccc(Cl)cn34)CCC2)cc1 1791583113 MVFGCGSOIPJPJI-UHFFFAOYSA-N 462.981 5.101 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CCC2)cc1 1791590177 SNWLMSQILTYQDY-DEOSSOPVSA-N 491.632 5.223 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccnc5)[nH]n4)CCC3)cc2)c1 1792124706 DXTQIIOHAZANOE-LJQANCHMSA-N 490.567 5.160 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5[nH]ncc45)CCC3)cc2)cc1C#N 1792168593 QIXXPQMTAJAOPX-UHFFFAOYSA-N 493.567 5.283 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)nc1C(F)(F)F)C2)c1ccccc1 1795567455 COMDXXIWHOCGEQ-CKSGFJDPSA-N 498.549 5.054 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1Cl 1799226524 CFQSTFGKJRYTRC-FZKCQIBNSA-N 472.910 5.518 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCc1ccccc1)C2 1800228942 UDMLDUDTAMUTJS-MNPUUQGPSA-N 469.670 5.399 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1803092094 IVGBMMINTUBDMU-AUSIDOKSSA-N 489.513 5.328 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccccc2Cl)[C@H]1c1cccnc1 1806535009 PUGKDXPQJBAYIS-YIXXDRMTSA-N 496.127 5.035 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1810181383 HTNZMNJQTDEGPO-OLLUBJOZSA-N 489.019 5.371 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1810273311 ULLXUYKPZSGEPX-BVAGGSTKSA-N 487.676 5.199 30 20 JKED CC(C)c1nn2ccccc2c1C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1 1810449800 UGRHXELTPQRGQU-JOCHJYFZSA-N 497.643 5.243 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2Cl)[C@H]1c1cccnc1 1811132412 QMWWCOSXYXMELP-PGRDOPGGSA-N 457.977 5.186 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)c1 1811938138 ZZIHOUNOZGOBFB-CYFREDJKSA-N 486.622 5.171 30 20 JKED N#CCC(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2cccc3ccccc23)[C@H]1c1cccnc1 1812043212 KKGFNXYNATVABJ-RNWIMVQKSA-N 490.563 5.260 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1)C(F)(F)F 1812221311 HSIJNAMMHWVBCD-NQIIRXRSSA-N 473.520 5.043 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cccc4c3oc3ccccc34)[C@@H]2c2cccnc2)C1 1812301272 AFZQIXRPSLMWLI-FNZWTVRRSA-N 465.553 5.267 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@H]1c1cccnc1 1812589691 BNBNYZPPBGAJTI-JQXZYWDBSA-N 482.584 5.355 30 20 JKED C[C@H](CC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1812732507 GAOGRUOKUIZYFO-AUZMWRNASA-N 487.003 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCN(c3ccccc3)CC2)n[nH]1 1814815057 IVBTXGZABKDAJT-ILBGXUMGSA-N 475.637 5.087 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1815208943 RMBHOHICVSHYHU-LJQANCHMSA-N 498.933 5.371 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)[nH]n1 1819301942 WLLARYVGXAHMED-HRAATJIYSA-N 458.965 5.205 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)ccc(F)c1F 1820224034 WZLJZEZHHNFJIP-IBGZPJMESA-N 483.906 5.141 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)n[nH]1 1820285436 WJGMXRHUKZZSIU-WMZHIEFXSA-N 493.011 5.528 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820316545 KRAIBKDUUCTDPA-ZJSXRUAMSA-N 487.579 5.685 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434635 GQQXXZYMDKMYFY-WMZHIEFXSA-N 474.561 5.099 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 1821087619 XPKDPXDDVMDOSW-UGSOOPFHSA-N 452.452 5.086 30 20 JKED Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1821104664 KXCLTVVNAUXFRM-HXUWFJFHSA-N 465.916 5.002 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cncc(-c3ccccc3C=O)c2)n[nH]1 1821725359 AZSIKPIWFGDSQU-SANMLTNESA-N 497.599 5.359 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)ccc3C(F)(F)F)n[nH]2)c1 1823302848 QXFIFQWRBLOTJB-FQEVSTJZSA-N 485.441 5.059 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1823683345 SLCHLFUSILTULZ-RUZDIDTESA-N 497.561 5.443 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1823751032 HUTPSNURJPJGSN-AREMUKBSSA-N 479.665 5.331 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(=O)OC(C)(C)C)CC1 1824218313 LXRHBRQXFDCITC-QFIPXVFZSA-N 462.675 5.111 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1824540428 IFEYQSPEMJTBKA-RDJZCZTQSA-N 463.496 5.243 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccccc3)CCC2)CC1)c1cccs1 1827684754 RACDFUVRYHGQMG-BYUVYSIJSA-N 490.669 5.229 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827735433 PXBIOFUYWBBRMI-NRFANRHFSA-N 490.978 6.045 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1)C(F)(F)F 1828156974 ZKSCDUBSOAJNDP-GOSISDBHSA-N 468.516 5.392 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 1828827639 ZYMSZGBOMQARBS-FPOVZHCZSA-N 463.544 5.102 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1828890735 NVCXLAIXRIOIIC-PXDATVDWSA-N 495.664 5.170 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cccnc3n2)CC1)c1ccccc1 1829032252 LDBQLOSNKYQFNO-XTEPFMGCSA-N 494.639 5.060 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc3cnccc23)CC1)c1ccccc1 1829032688 QSXPQNIVDUYDRC-PXJZQJOASA-N 494.639 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829354127 VDJSTGFNSKTLFQ-IFMALSPDSA-N 463.544 5.102 30 20 JKED COc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC3CC3)CC2)cc2ccccc2c1Cl 1829707889 GVFOMEVJAGVXFM-XMMPIXPASA-N 479.020 5.149 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830360253 IOZGVCZCMYYGBC-CPJSRVTESA-N 455.618 5.076 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1830684563 ZGXZGFLHHTTXOZ-VWLOTQADSA-N 456.590 5.039 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 1830770312 TWCPHAZMDUPCLZ-VWLOTQADSA-N 497.561 5.362 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Br)c(OC)cc3o2)CC1 1830882671 IVYPTUSOYRNQQA-LJQANCHMSA-N 489.410 5.013 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1831374407 PRFVAPWCRYTHRZ-VGSWGCGISA-N 466.544 5.160 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3F)CC2)c1 1832628752 AACQVEUAOIMXSX-HTAPYJJXSA-N 453.583 5.061 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 1836697367 KJOCIWIOCVBKAL-UHFFFAOYSA-N 496.545 5.225 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)c3ccc(C)cc3)CC2)CC1 1838424668 UZHGZUGGHFNBRS-QFIPXVFZSA-N 454.655 5.090 30 20 JKED CC#C[C@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)CCCCC)CC2)CC1)c1ccc(O)cc1 1838758024 IZTNYFSSIMZPEH-UKILVPOCSA-N 496.692 5.104 30 20 JKED C=C1CC(C(=O)N2CCCC23CN(C(=O)CC2CCC(c4ccnc5ccc(F)cc45)CC2)C3)C1 1841019287 CBXCAQRZUOZIIU-UHFFFAOYSA-N 475.608 5.207 30 20 JKED CC(C)[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc([C@@H](C)C#N)c1)C2)c1ccc(Cl)cc1 1841417550 WTHIWTWQEFKZLU-CYFREDJKSA-N 464.009 5.224 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)CCCCCCCCNC(=O)OC(C)(C)C)C2 1844199913 PRSGFKAPBRRMHR-HSZRJFAPSA-N 489.701 5.214 30 20 JKED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(-c4ccccc4)nc4ccccc24)C3)cc1 1845411696 ALRWBAFYJAXRFI-UHFFFAOYSA-N 486.575 5.099 30 20 JKED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 1846779837 AFCDRVKCMFCGSD-OAQYLSRUSA-N 492.563 5.269 30 20 JKED CC(C)[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc([C@@H](C)C#N)c2)C1)c1ccc(Cl)cc1 1846829891 DFWOYAKLEFLRBP-YADARESESA-N 464.009 5.224 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(C)cc1C 10168362 PAWHCEQFJUWHHE-UHFFFAOYSA-O 458.434 6.511 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1C(F)(F)F)[n+]1cccc(O)c1)c1ccc2c(c1)CCC2 11157831 PBQGOQVGZLUYDX-UHFFFAOYSA-O 457.497 5.238 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)s1 11159798 ALWBBZKZCSLWHY-UHFFFAOYSA-O 490.501 6.889 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2cccc(C)c2)c1C 11164734 BULQPVOWLFVBLC-UHFFFAOYSA-O 464.611 5.072 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1cccc(C)c1 11268811 VPRGXFGQYMBMSG-UHFFFAOYSA-O 454.413 5.658 30 20 JKED O=C(C[C@@H]1S/C(=N\c2cccc(Br)c2)NC1=O)Nc1ccc(Cl)c(Cl)c1 16938513 YBTVSBKGRJJDRX-AWEZNQCLSA-N 473.179 5.004 30 20 JKED CCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 21670127 PXIWOYFOIOYJBO-MRXNPFEDSA-N 471.989 5.575 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 21750985 ROWWXQVGRXBRBU-NRFANRHFSA-N 499.615 5.868 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2C)cc1 22695767 ROTYSYIBDQNISN-UHFFFAOYSA-O 453.578 6.515 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22730221 AWJKBOGHLBEVKE-UHFFFAOYSA-O 461.651 6.338 30 20 JKED C=CCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc2sc3c(c2c1=O)CCCCC3 23469852 ODNWLSSZLJNCQH-UHFFFAOYSA-N 484.672 5.120 30 20 JKED C=CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1[C@H]1COc2ccccc2O1 30922633 ZAPHGAAVHZVEMO-OAQYLSRUSA-N 497.045 5.970 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 72088843 JLIGSFMQSWJMIF-NRFANRHFSA-N 457.500 5.073 30 20 JKED C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)C(=O)Nc1ccccc1C#N 102050339 HFLGSRIDQNQGQX-ORKPOYISSA-N 477.520 5.760 30 20 JKED CCc1cc(C#N)c(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)s1 195535741 QFCIVLMATUCPBY-UHFFFAOYSA-N 481.553 5.439 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nnc1-c1ccccc1F 195569916 QIBQVUOBMJHQFP-UHFFFAOYSA-N 468.579 5.703 30 20 JKED O=C(O)CCCOc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)cc1 214942263 HJIBQIAMJNKJED-RAXLEYEMSA-N 453.498 5.074 30 20 JKED C=CCN(C(=O)CSCc1cccnc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476183491 ZRDMEPNEMDXKNT-UHFFFAOYSA-N 450.416 5.964 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1SC 476514870 QGEGYFDJQVWRPB-OAQYLSRUSA-N 466.006 6.390 30 20 JKED COc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1NC(=O)c1cccc(F)c1 482440253 XGPHUKJDQBKOGD-UHFFFAOYSA-N 478.549 5.009 30 20 JKED CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)cc1 483645326 SARXRPUQBCLZFQ-UHFFFAOYSA-N 484.533 5.799 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)s2)cc1 487880788 YNNWNMBAWRLPEN-UHFFFAOYSA-N 459.493 5.594 30 20 JKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc(OC)c1Br 487990947 DFVKRFVSSZSSLJ-UHFFFAOYSA-N 483.337 5.320 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c1 488434278 LJPKYDWQSWVBMK-UHFFFAOYSA-N 487.940 5.215 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 501166859 XRZZGUZMQAXPAS-UHFFFAOYSA-N 473.935 6.480 30 20 JKED N#C[C@H](C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nc(-c2c(F)cccc2F)cs1 503531331 XGNZIQSQZMCJEY-GFCCVEGCSA-N 467.478 5.431 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 503540283 NWACQZVACXHULE-HSZRJFAPSA-N 451.507 5.973 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)nnc1-c1cccnc1 503739757 PPFWOHGOGDJSQR-UHFFFAOYSA-N 457.559 5.358 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](c3ccccc3)c3ccc4c(c3)CCCO4)CC2)c1 504475370 MRDUYPGJGUHSTC-NDEPHWFRSA-N 494.595 5.033 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCn2c(C)nc3ccccc32)cc1 508244501 ZEHYPPUOIMSGTO-UHFFFAOYSA-N 455.518 5.229 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 508419829 RDEDYDDZYPKOIY-HXUWFJFHSA-N 479.652 5.582 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(C)C3)cc1 509079388 HZPOZOIGOYMSOC-UHFFFAOYSA-N 464.525 5.148 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1Cl 510005086 JGLGPUDYIUMOEP-QFIPXVFZSA-N 481.930 6.349 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 511159472 ZRFGEDSUYNPWNK-UHFFFAOYSA-N 465.600 5.104 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)ccn2)cc1 511519106 CHUPEUAXXXGWOP-UHFFFAOYSA-N 493.523 5.328 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 512959182 VRNQLQPCZBCIDP-QGZVFWFLSA-N 488.352 5.369 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1ccc(C(F)(F)F)cn1 513187213 WHMNMFNRKKROHV-AWEZNQCLSA-N 451.267 6.081 30 20 JKED CC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccccc1OCC(=O)N1CCCC1 517532928 RYXJNOBRCYWFQO-PZJWPPBQSA-N 480.634 5.355 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OCc2cccnc2)c1 518151397 RJUTWUZAQSFCJF-UHFFFAOYSA-N 457.477 5.937 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 518231391 BNRVFBPIPZAWNP-UHFFFAOYSA-N 491.516 5.858 30 20 JKED Cc1nc(CSc2ccc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cc2)cs1 519086563 AWTCOLPVTRQABU-UHFFFAOYSA-N 451.573 5.076 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(I)cc1Cl 519871180 ZXWJIVKFWWMVRX-UHFFFAOYSA-N 471.682 5.073 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)cc1Cl 520671266 CCKDBYLAMFOABQ-NRFANRHFSA-N 486.786 5.600 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 520840378 JUACEMZJSVXHIH-LSDHHAIUSA-N 499.061 5.840 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 520924459 XGKGAOKZHFYNHO-LJQANCHMSA-N 491.638 5.475 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCSc4ccc(Cl)cc43)cc2)cc1 520948489 ODCZVDWPHYNLDM-NRFANRHFSA-N 463.946 5.296 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)c1 524114010 KZCDUJNKOLRUDG-UHFFFAOYSA-N 480.524 5.613 30 20 JKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1Cl 524380384 CDJLEIPKTRPHMW-KRWDZBQOSA-N 477.948 5.651 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)cc2)c1 524386777 VKYAHCYWCLVAOZ-UHFFFAOYSA-N 469.522 5.171 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 551104510 CHJBMPYYBDBINU-GAJHUEQPSA-N 497.020 5.128 30 20 JKED C=CCN(C(=O)c1cc(C)nc2onc(C(C)C)c12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 552668899 KLIOOJHDAYGKFD-UHFFFAOYSA-N 496.614 5.014 30 20 JKED CC(C)(CNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)c1cccc(C(F)(F)F)c1 589080200 PEUQVEGAQVSUSU-UHFFFAOYSA-N 474.380 5.152 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccco3)n2Cc2ccccc2)sc2c1CCC2 589889717 WQMDCNJUKUQQNW-UHFFFAOYSA-N 475.599 5.129 30 20 JKED Cc1ccc(-n2nc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c3c2CCC3)c(F)c1 593021528 GTAAWNYULDUIDQ-WDNDVIMCSA-N 477.424 5.448 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 603738501 KNMUJTWJOKAMMN-UHFFFAOYSA-N 492.560 6.740 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)nc(O)c2c1C 603765070 SYVNZUITZPMXDP-HNNXBMFYSA-N 491.598 5.333 30 20 JKED Cc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)N2CCOCC2)o1 604088136 FATCEMUBTIQDKH-JOCHJYFZSA-N 480.952 5.100 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccnc(Oc4ccccc4)c3)cc2Cl)cc1 604136626 CZVWAIKSNWKQBD-UHFFFAOYSA-N 498.926 5.446 30 20 JKED Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604460581 CAOPGNYFCWKNPP-UHFFFAOYSA-N 479.334 5.182 30 20 JKED COc1cc(CCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)ccc1OCC(F)(F)F 604547794 PJVYQJCRDUVYHF-UHFFFAOYSA-N 461.465 5.203 30 20 JKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 608840997 HWPGPWOIOCXLKP-JOCHJYFZSA-N 489.019 5.942 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609080878 PCQFTSNQFXNVNL-FQEVSTJZSA-N 455.562 5.192 30 20 JKED COc1ccc(CSCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1[N+](=O)[O-] 609104583 IHERHEWJEDPSTA-UHFFFAOYSA-N 481.505 5.065 30 20 JKED Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)n1Cc1ccccn1 609173109 LMNNCCZNSCHLAE-MHZLTWQESA-N 450.542 5.122 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)cn2)cc1 609326770 ASQHWGKNGAEHDP-UHFFFAOYSA-N 451.364 5.067 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(OC(F)(F)F)cc1 609371778 XCPYPHCBKHIQAV-HUUCEWRRSA-N 454.539 6.270 30 20 JKED CC(C)(C)c1ccc(CCNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609401184 ZGHGXKKFURTUHX-UHFFFAOYSA-N 477.552 5.306 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3SCc3ccco3)s2)cc1 612516858 UUXGRZFYGDKUJE-UHFFFAOYSA-N 464.597 5.840 30 20 JKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1[C@H]1COc2ccccc2O1 612653189 DGVOOVGLUJEORH-QGZVFWFLSA-N 481.603 5.251 30 20 JKED Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 613404547 OKAUDRYBZUFONI-MRXNPFEDSA-N 489.569 6.862 30 20 JKED N#C[C@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc2cc(Cl)ccc2s1 613407092 IJZDIEXICXJRKD-LJQANCHMSA-N 474.998 6.380 30 20 JKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 624635813 DRFYMCZOAJXCJJ-CHWSQXEVSA-N 490.391 5.961 30 20 JKED CN(C)C(=O)COc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281464 GDRUKEJVVYMHTA-INIZCTEOSA-N 474.369 5.074 30 20 JKED COc1cc(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OC(F)F 642662646 CDERAFRQFNTHLT-QWRGUYRKSA-N 464.353 5.005 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC(F)F 726075057 ZSXCIJYXLPAOPT-OAQYLSRUSA-N 451.473 5.316 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 726393157 MVXWTXCZOIMTNF-PGRDOPGGSA-N 471.598 5.136 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N([C@@H](C)c2ccccn2)C1=O 726423403 ZDJNGSHMJBRXKJ-SUNUFWRDSA-N 494.642 5.303 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNC(=S)Nc3ccccc3C(C)C)cs2)cc1 727061530 LGHUKYULIXNUIH-UHFFFAOYSA-N 467.620 5.280 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3cccc(-c4ccc(Cl)c(Cl)c4)c3)CC2)nc1 727590177 GENLTNIBWFDXHT-UHFFFAOYSA-N 466.372 5.718 30 20 JKED CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 727987487 MEURGDYYUVQMOV-GVIQGYOMSA-N 453.995 5.192 30 20 JKED CCOc1ccccc1[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)NC(C)=O 728412785 WLAYNZMBBSGHLZ-SJORKVTESA-N 475.492 5.158 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1C 728776934 VPGGNJZPKQDQHR-OAQYLSRUSA-N 469.010 5.611 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(CCCCC#N)C2=O)cc1 728777156 JDLIWZRHJJRYFF-JOCHJYFZSA-N 499.036 5.701 30 20 JKED C[C@H](OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1sc2c(c1C#N)CCCCC2 730068674 QFRFQMCQDHOMLC-AWEZNQCLSA-N 498.992 5.095 30 20 JKED Cc1ccc(/C=C\C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(Br)c1 731066970 KIKIUUKMBDYEEE-ZBTGYSDGSA-N 473.392 5.204 30 20 JKED COc1cc(C2(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCC2)ccc1C 731078585 UQQVNVQKZCFQSO-SFHVURJKSA-N 452.576 5.002 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cccs2)cc1 731125286 CDNWVZALUNTUDI-CLOONOSVSA-N 491.682 6.043 30 20 JKED N#C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1cccc(Cl)c1Cl 731196080 WRULSZOPVMIOGT-HEUOVEHFSA-N 496.466 5.417 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 747434962 UBAVODUFIVWRKY-WOJBJXKFSA-N 457.599 5.716 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cscn3)C2=O)cc1Cl 747600040 MUCMRYDNKLXPPP-LJQANCHMSA-N 471.007 5.265 30 20 JKED CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 748481591 FFGJETWTSLHFNK-CRAIPNDOSA-N 464.418 5.720 30 20 JKED COC[C@@H](C)n1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnc1-c1ccccc1 751082560 BGSDNMZIZIFNLX-NLFFAJNJSA-N 497.624 5.539 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1cccc2ccccc12 799219213 MZBSTJVSZADNKV-IBGZPJMESA-N 475.467 5.502 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837873644 YXCIIKDVZGBWSU-DVECYGJZSA-N 488.613 5.510 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 914547705 ZJVGOSPZZVJULO-GBXCKJPGSA-N 472.614 5.098 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@H](C)Cc3ccco3)C2=O)c1 914690956 JUKXUJSQDHVNGZ-OPAMFIHVSA-N 481.549 5.019 30 20 JKED Cc1ccc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1NC(=O)c1ccccc1 915018920 KHBBFMQPRDPCLP-UHFFFAOYSA-N 465.509 5.155 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086757 WSEFEPLXVYAXPS-IBGZPJMESA-N 462.336 6.865 30 20 JKED COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1OC 915103357 TWKOSKDYNBKNFZ-KVHHZJNNSA-N 478.614 5.467 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 915134059 DKAYUJJRAGNSHD-UHFFFAOYSA-N 491.063 5.153 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc3ccccc3n2)c1 915285384 VWKWSNFVTVDYTE-UHFFFAOYSA-N 492.000 5.200 30 20 JKED CCOc1ccc(-n2c(-c3ccccc3)nn(CN(CCC#N)Cc3cccnc3)c2=S)cc1 915796074 UZGQMQHIYFZQOC-UHFFFAOYSA-N 470.602 5.237 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCCC2)C1=O 916217170 GYZUQPGRIXRPLF-FQEVSTJZSA-N 491.535 5.617 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=Nn2c(S)nnc2-c2ccccc2Br)cs1 916345989 JTZOHQQXSCRISM-UHFFFAOYSA-N 499.419 5.020 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1 916679434 OPBLIVGIMXRIAI-GOTSBHOMSA-N 497.473 5.667 30 20 JKED COc1ccc(/C=C\C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1OC 916844744 AMMMSBBWLPSPOV-QBFSEMIESA-N 472.591 6.338 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2sc3cccc(F)c3c2COc2ccccc2)nc2ccccc21 916844901 JIHCBNHWDBYMIE-KRWDZBQOSA-N 455.514 5.996 30 20 JKED N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916846773 DYCRKADDZSFFOI-LBPRGKRZSA-N 464.399 5.551 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 916908669 BZMMIWJBLZPGJU-QGZVFWFLSA-N 451.935 5.177 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 916915274 HTJFSFZNANEWGL-HXUWFJFHSA-N 494.016 6.266 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12 916918474 PLRYWGAAMALFDU-SGQUHAKNSA-N 476.376 6.238 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916931684 MKGBJNRIKXGRIR-QGZVFWFLSA-N 474.369 5.406 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nncn3-c3ccc(C)c(Cl)c3)n2)cc1 916972709 PVOMILZOBHLYLY-SFHVURJKSA-N 480.018 5.630 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc2ccccc2n1 917423402 WZWAAQFPZAWDJN-OAHLLOKOSA-N 454.374 5.601 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)C(=O)Nc1ccccc1Cl 917426114 HPKVKFGOXWFANJ-LBPRGKRZSA-N 480.796 5.178 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CCN(CC3CC3)CC2)C1=O)Nc1cccc(Cl)c1 917673522 NTMXRJFNBFLJLN-QHCPKHFHSA-N 497.064 5.175 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2C#N)cc1 917704707 XMXHASAMOAATRO-XMMPIXPASA-N 484.581 5.036 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CCCC1 917706961 DPJFSJFMOBOZTF-FQEVSTJZSA-N 497.418 5.224 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 919666715 LYCDTIYCGWXQRR-XMMPIXPASA-N 471.520 5.108 30 20 JKED Cc1ccc(Oc2ccc(OCC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)cc1 920142475 VNLIRFIPOWDDFM-XMMPIXPASA-N 465.534 6.038 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3c(C)noc3C)C2=O)c1 920356789 VARFRBXGBCVPID-QHCPKHFHSA-N 492.601 5.077 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 920789117 SLRXNRVRNOAEIS-QGZVFWFLSA-N 498.379 5.564 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1785934017 MBBFWDJQTSTQBY-UHFFFAOYSA-N 453.970 5.183 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)CCc5cccc(C#N)c5)cc4)CCC3)cc2c1 1786040950 WSTJHUJRLLOYPS-UHFFFAOYSA-N 493.563 5.694 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4OCCc5ccccc54)cc3)CCC2)cc1 1786314541 UICPLUOQVCTMJQ-MHZLTWQESA-N 479.580 5.204 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cc(Cl)cc3Cl)CCC2)cc1 1788030807 XMQZTNXFDFQFMT-UHFFFAOYSA-N 491.394 5.162 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789995145 ACTBUXALKQPFMU-MRXNPFEDSA-N 459.571 5.494 30 20 JKED COc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)c1 1790271604 RVUQKWQJKYOCBR-UHFFFAOYSA-N 494.473 5.042 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H](C)c4cccs4)CCC3)cc2)c(C#N)c1 1790474949 PRFCJFGDRVOTAS-SFHVURJKSA-N 473.598 5.109 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3Br)CCC2)cc1 1790569544 CPKTYPXUAPMNDQ-MXHVWWQHSA-N 498.421 5.397 30 20 JKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)C(C)(C)NCCC#N)CCC4)cc3)sc2c1 1790946667 LNWOBDGYTLWPJD-UHFFFAOYSA-N 474.630 5.239 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790958999 CFDFLDKAYHJOFA-UHFFFAOYSA-N 479.964 5.078 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@@H](C)N(C(=O)OCc4ccccc4)C3)CCC2)cc1 1791587664 CHGLKUBYUKSMAG-FYYLOGMGSA-N 489.616 5.134 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC4(CC4)CN3C(=O)OC(C)(C)C)CCC2)cc1 1791726176 COAGDCVTLQAYTR-QHCPKHFHSA-N 493.648 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5cc(Cl)ccc5n4)CCC3)cc2)c1 1792123892 SVJPAUSOFUVJSA-GOSISDBHSA-N 497.986 5.676 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(CO)c(F)c3)cc2)CCC1 1792188850 XZMCSZGSXFPBAL-UHFFFAOYSA-N 480.656 5.117 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2nc(C)sc12)c1ccccc1 1797383670 KMQFDWFGTLUACZ-KAOXLYBCSA-N 471.626 5.054 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1 1799705059 IKRYVNYRLRZWES-WKCHPHFGSA-N 464.604 5.008 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2ccccc2)C3)cc1 1800543740 YPWXZOOIVZUNPK-BKFWDETESA-N 465.553 5.111 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 1800618061 LPNPQJOZKJFGCT-BKFWDETESA-N 468.601 5.250 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)on2)[C@@H]1c1cccnc1 1802354880 KTCVIKWDLSLVOT-RDGATRHJSA-N 472.589 5.049 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)[C@H]2c2cccnc2)C1 1802414141 XLERBLSLTLBGSW-AMGIVPHBSA-N 487.550 5.313 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1802501077 RTRHUHILUCAFRK-SQJMNOBHSA-N 481.612 5.320 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1802996095 UQWDZIADJCMBSW-ZKKFIOJUSA-N 471.645 5.337 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1803419464 BIKWNYDPBMSBIA-CLOIUZTFSA-N 463.647 5.037 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1804177050 SSSPLPWOJOJXFU-RBJSKKJNSA-N 485.653 5.296 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)C1 1805044350 GXWNFRABYRXFMH-UHFFFAOYSA-N 480.612 5.296 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1805369914 FDWUERWYGNRTLQ-BVAGGSTKSA-N 486.616 5.357 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1806414023 LUMNSVXPINEZRW-QQJNOOCOSA-N 467.613 5.252 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1807958712 CMYKJEPPNLRUEC-TZIWHRDSSA-N 451.592 5.201 30 20 JKED COc1ccc(F)cc1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)CCC#N)C3)CC2)c(Cl)c1 1809511356 APVNBQPVOPVYKO-UHFFFAOYSA-N 497.998 5.303 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1810501078 GQDQOJIAFOHKQF-NZQKXSOJSA-N 487.566 5.721 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1)C(F)(F)F 1810724824 ABAXNRALKNJPDI-ZJSXRUAMSA-N 495.501 5.312 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)[C@@H]1c1cccnc1 1812429709 WDRUIMSWXVMSSF-FGUUHEIUSA-N 490.692 5.019 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1812791943 JVOAPTVPIGHOOS-LWMBMQORSA-N 495.784 5.601 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1812927609 HJMDNWPKKUXALO-NBTVYNQOSA-N 499.630 5.272 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccccc3)CCC2)[C@H]1c1cccnc1 1812993864 QFDYBAVFALMQKU-ILBGXUMGSA-N 459.634 5.202 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)[C@H]2c2cccnc2)c2ccccc12 1814300235 PSMAPKNSUTZRCU-RNCAPKPVSA-N 489.685 5.136 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3[nH]c4ccc(Br)cc4c3C)[nH]n2)C1 1814397520 PCXOZBQHXICXDB-FQEVSTJZSA-N 496.409 5.234 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818164175 YYDKNJAPKGVKMK-XMSQKQJNSA-N 487.025 5.583 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(C)(C)C)s3)n[nH]2)c1 1818343053 HGXPSHHZRWOZPM-HXUWFJFHSA-N 491.617 5.269 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818812868 RMEVKNKQTVKQOS-CHHLAKQQSA-N 460.578 5.854 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3scnc3c1)CC2 1819759134 VPPVYCDRPVDONQ-KRWDZBQOSA-N 496.734 5.030 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093197 BAIIDEVLEVMKQW-HRAATJIYSA-N 489.601 5.070 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)ccc2[nH]1 1820220978 LBGLWLSCXWFKFE-JOCHJYFZSA-N 486.963 5.344 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820223692 PZNYXOJRLNXHDX-HXUWFJFHSA-N 498.370 5.216 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820964714 UQQSSGZMKSQTKN-AUSIDOKSSA-N 494.702 5.039 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1820974367 YHZLUWNFUMNLJH-FZKQIMNGSA-N 499.921 5.189 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821127489 MSOGOOATUSWQOD-MRXNPFEDSA-N 490.860 5.599 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)[nH]n2)c1 1821271970 RUOXSEGKHZKEJC-DEOSSOPVSA-N 494.530 5.102 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc(O)cc1 1822469498 MMFKZXWSYKCAKI-YRHADEBDSA-N 488.632 5.131 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)CC1 1823216500 KNNCJQZMCRZUES-XHOYROJHSA-N 461.610 5.559 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)[nH]n2)cccc1C(F)(F)F 1823290173 XQWWJLOFBUUHPB-JOCHJYFZSA-N 495.505 5.157 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1823422817 PDYRIMQZAXTUFC-XMSQKQJNSA-N 477.996 5.070 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1 1823684611 AGTRNBVBIJPXOD-VWLOTQADSA-N 481.999 5.217 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1824142507 URHVPMPKQHPZAN-XMMPIXPASA-N 465.663 5.606 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824267976 VFEOADWLHXFQMP-NDEPHWFRSA-N 494.676 5.436 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSC3CCCC3)CC2)c1 1824480560 XTAOYNQBVVZRTO-NBGIEHNGSA-N 467.679 5.223 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C)n2)CC1)c1ccccc1 1825037918 QINALYXCLGLQFB-URLMMPGGSA-N 485.672 5.140 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)c2c1 1825096112 WFXBLFMIKWYAHN-GDLZYMKVSA-N 496.655 5.143 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)CC1 1827649179 WJADOUYFXWECOP-SFHVURJKSA-N 469.548 5.228 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)c2c1 1827694664 ZJZXXQGNDRBQJZ-UWJYYQICSA-N 497.624 5.028 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827779189 OEDMKXSNEVSMQJ-HXUWFJFHSA-N 489.529 5.533 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828167052 CMPKZKOSXRDVAS-IBGZPJMESA-N 477.095 5.707 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828497977 GHOWVNUPACJRMK-VWLOTQADSA-N 466.025 5.233 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cc(OC)cc2C)CC1 1828827023 GUZAPIPYQCIULJ-JWQCQUIFSA-N 452.639 5.314 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562536 DBJGQHDJVHESJY-NDEPHWFRSA-N 495.667 6.033 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSc3ccccc3)CC2)c1Cl 1829688571 BUVNGACOVFVKDT-QHCPKHFHSA-N 482.049 5.237 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c(F)c1 1829956784 RGOALSBAKIRELZ-AREMUKBSSA-N 477.580 5.032 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830631697 MVKJIHLHIWKHHK-BHAFLUAZSA-N 487.669 5.600 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1830710470 VORZBGZEMQDAGY-PMACEKPBSA-N 496.599 5.055 30 20 JKED Cc1c(F)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720619 CLIVSQOTLNDMFH-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1830724065 RMAPBIHNTQZURV-MEKIYTOJSA-N 456.030 5.271 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830995227 JTKWNQVOGPUYIE-RDPSFJRHSA-N 468.041 5.823 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1831446629 CZIVQDHYTMHFTQ-FQEVSTJZSA-N 486.962 5.323 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1)C(F)(F)F 1831451367 SDEONMQCBKQKRL-QHCPKHFHSA-N 471.523 5.100 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3nccc4occc34)CC2)c1 1832631134 REPJVWGSSPYQLE-YADARESESA-N 470.573 5.002 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832632410 PJWQRNYYWCHFHU-BCHFMIIMSA-N 499.611 5.621 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3onc4ccccc34)CC2)c1 1832633210 GRQPHNXZMLHOOZ-UQBPGWFLSA-N 470.573 5.002 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1832792847 BPPNUYAOPCZLKV-MHZLTWQESA-N 481.596 5.024 30 20 JKED Cc1ccc(C)c(-n2c(SCC(=O)N[C@](C)(C#N)C3CC3)nnc2-c2ccccc2Cl)c1 9162399 WFSGWUSGKPTVNE-XMMPIXPASA-N 466.010 5.105 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179237 FVVGENLBBQKXCM-UHFFFAOYSA-O 466.360 6.172 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Cl)cc2)cc1 10832800 UIJRLAOKYUNBND-UHFFFAOYSA-O 450.027 6.120 30 20 JKED C=CCn1c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 11055840 KLBZYZYKAVMSLI-UHFFFAOYSA-N 454.599 5.471 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(Cl)c(Cl)c1 11159831 JAVMXFRZSXEJLW-UHFFFAOYSA-O 464.463 6.573 30 20 JKED C[C@@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)OCc1ccc(C#N)cc1F 11539853 DBEVRUPSPDMAJC-CQSZACIVSA-N 479.558 5.027 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Oc2ccc(C(C)=O)cc2)c1 14464230 XKLVJEKNNGANCF-UHFFFAOYSA-N 469.946 5.143 30 20 JKED C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 16864300 KLGAHUOGIVFREB-AWEZNQCLSA-N 455.971 5.688 30 20 JKED COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COc2ccc(C#N)cc2Cl)cc1OC 18963632 MYKOCVHISXBIFD-IBGZPJMESA-N 481.961 5.047 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c2c(C)c(C)sc2n1 20069550 GYNFQCBLWVVYRB-UHFFFAOYSA-N 465.604 5.279 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(Br)cc1 21128538 KUMSCARZXNZILG-AWEZNQCLSA-N 491.386 5.064 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)Nc3ccccc3SCC#N)cc12 22140853 QQIKQUFTOSKLPL-UHFFFAOYSA-N 497.001 5.460 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)NCc2ccccc2)cc1 22730738 ROZVFNPLBBVHPM-UHFFFAOYSA-O 453.578 5.885 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730903 CHJVJJKPJJEKQG-UHFFFAOYSA-O 473.568 6.202 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)nnc1-c1ccc(F)cc1 23012942 ZRKWTBAZVLESBJ-UHFFFAOYSA-N 472.545 5.498 30 20 JKED N#Cc1c(F)cccc1N1CCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 26022906 SOGKIIBPYFMHNU-UHFFFAOYSA-N 472.545 5.093 30 20 JKED C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 26981870 WXTZTKDOCARRAU-CYBMUJFWSA-N 474.615 5.302 30 20 JKED C[C@H](OC(=O)c1ccccc1SCc1ccco1)C(=O)Nc1sc2c(c1C#N)CCC2 28378095 GFKZRZFAECIBTK-AWEZNQCLSA-N 452.557 5.178 30 20 JKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(NC(=O)c2ccccc2)c1 32255158 IZCGZDJNMZMZRQ-FQEVSTJZSA-N 477.589 6.453 30 20 JKED Cc1c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cccc1C(=O)Nc1ccccc1 60274352 IOYGGGHSDQKIMT-UHFFFAOYSA-N 461.521 5.950 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 107607827 QBDKLFUJASUZMA-TYXQEANJSA-N 452.554 5.139 30 20 JKED COc1ccc(N2CCCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 195547216 YQLNWBZYAZLTPU-UHFFFAOYSA-N 470.573 5.084 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCOc3ccccc3-c3ccccc3)s2)cc1 302992466 WLYGUXHFEZOKNP-UHFFFAOYSA-N 472.595 5.777 30 20 JKED C=CCn1c(-c2sc(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)nc2C)n[nH]c1=S 303001863 HYAPKMSKVYITRK-KBPBESRZSA-N 476.425 5.063 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 303277597 JDLMFOOMEQSLFB-CQSZACIVSA-N 484.375 5.798 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2c(F)cccc2Oc2ccccc2)CC1 410032591 DHYPCBMFTKORRR-UHFFFAOYSA-N 472.476 5.593 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 488704814 ZOHBRUPWFGZGCJ-UHFFFAOYSA-N 466.431 5.246 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 501165042 VDDHWIFOEPGRKI-HXUWFJFHSA-N 475.589 5.608 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)s2)cc1OC 501415189 BZKPRSAAZOPHKX-UHFFFAOYSA-N 499.592 6.033 30 20 JKED N#CCCN(Cc1ccco1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 502560271 JYJCPQDTIYBSLG-UHFFFAOYSA-N 461.525 5.296 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)CC2)cc1 503021719 ZJPWLMOJXSWZKH-UHFFFAOYSA-N 474.992 5.530 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COc2c(F)c(F)cc(F)c2F)cs1 505868389 NKXMMKYDQWRLOH-UHFFFAOYSA-N 464.362 5.982 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)cc2)cc1 508579696 QNXIIDXIRHXHFL-UHFFFAOYSA-N 467.382 5.341 30 20 JKED N#CCc1ccc(NC(=O)CC23C[C@@H]4C[C@H](C2)CC(C(=O)Nc2ccc(CC#N)cc2)(C4)C3)cc1 509868923 ICTRABDMTVEUEZ-RJAVSUSUSA-N 466.585 5.373 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 511423404 YNSSOJUPSHUOKJ-LJQANCHMSA-N 483.572 5.498 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511499188 MCOCHBOSBYCTKN-RUZDIDTESA-N 484.556 5.032 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4cccs4)n(-c4cccc(F)c4)n3)n2)cc1 512490428 XXQMFNJKYCOSMV-IBGZPJMESA-N 496.552 5.620 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nc2ccccc21 514000118 ULZMBBCESNMUEY-MHZLTWQESA-N 479.584 6.070 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccc(Cl)cc1 514955294 PJNPLKXHKIOXOJ-OAHLLOKOSA-N 457.024 5.404 30 20 JKED C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515651391 IMKDDOFEHWMEIQ-KRWDZBQOSA-N 465.347 5.500 30 20 JKED Cc1ccc([C@H](NC(=O)CNc2ccccc2Oc2ncccc2C#N)c2cccs2)cc1 515670252 QTAWPPZKABJRON-VWLOTQADSA-N 454.555 5.433 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 518128547 XRSMPNHRBUMJKU-QGZVFWFLSA-N 463.632 5.186 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cn1 518755850 OUNVGKLGYAXTAJ-UHFFFAOYSA-N 496.523 5.877 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 520844390 UJAHGZMCFCZUMG-CJAUYULYSA-N 469.566 5.529 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(C)C 522233303 YCPOZIRPWIWIQT-IBGZPJMESA-N 458.356 5.486 30 20 JKED COc1cc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)ccc1OCc1ccncc1 522576454 MZPFFNJLGIVDTJ-LJQANCHMSA-N 483.524 5.204 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 523215425 NIIDZXOLEHKGFK-XMMPIXPASA-N 477.948 5.465 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c[nH]nc3c2)nnc1-c1ccc(Cl)cc1Cl 524348795 KJXXLYKQSGFGEX-UHFFFAOYSA-N 459.362 5.045 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)nnc2N2CCCCC2)cc1 554195021 RQFKCAXZCSHDBP-KRWDZBQOSA-N 492.674 5.107 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 587989030 NKRUIPSTOSZHHT-INIZCTEOSA-N 490.466 6.229 30 20 JKED Cc1c(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1OCC(F)(F)F 590144477 HETCWADHRGGGGG-GHMZBOCLSA-N 466.344 5.967 30 20 JKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590828193 SVEAQCYCRYOWAE-STQMWFEESA-N 452.345 6.226 30 20 JKED O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCC#Cc1ccccc1 603460923 RTJVCTKAYATASR-FXBPSFAMSA-N 453.523 5.303 30 20 JKED CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)c1ccc(C#N)cc1 603529621 LXYDUXHQBMEESN-HXUWFJFHSA-N 473.598 5.001 30 20 JKED Cc1nc(NC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)sc1SCC#N 603774910 IGJMRIDBBOFTKS-UHFFFAOYSA-N 483.669 6.092 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1OC(F)F 604138366 LRQOCQISTXSWPY-AWEZNQCLSA-N 485.874 5.421 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3(c4ccc(Br)cc4)CCOCC3)cn2)c1 604566989 PEAXJJUJSNFMMS-UHFFFAOYSA-N 478.346 5.195 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 608851313 MQSIEXVCSWUGNU-OAQYLSRUSA-N 464.509 5.150 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)CC3(Cc4nc5ccccc5s4)CCCCC3)CC2)nc1 608967944 JUSFLLXIYFGQNK-UHFFFAOYSA-N 473.646 5.231 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2Cl)c1 609063292 WWFFCEGPYMDQFV-UHFFFAOYSA-N 473.876 5.137 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1Br 609078386 NCEJPMAJXOSNQR-UHFFFAOYSA-N 450.336 5.530 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 609078621 CZPYAYQNSVNCFU-GOTSBHOMSA-N 498.627 5.377 30 20 JKED N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 609095789 JULRQGZDBLCYAW-IBGZPJMESA-N 487.400 5.048 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(Cl)cc1 609104166 SGOKCMGDWXRMCL-HSZRJFAPSA-N 465.912 5.136 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)c2)cc1 609177153 KKOBWCSQUYLZDJ-FQEVSTJZSA-N 476.330 5.105 30 20 JKED COc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387356 YLFCWSWQEKMMCK-GJZGRUSLSA-N 451.514 5.398 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)o1 613404467 NYBOVKWKJBBWQA-INIZCTEOSA-N 467.428 5.849 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 613405039 TZTPJKKGLAREPX-MRXNPFEDSA-N 497.546 6.491 30 20 JKED C=CCn1c(SCC(=O)NCc2sccc2C)nc2cc(-c3ccccc3)sc2c1=O 613960156 JBLNAHZSFOZXKT-UHFFFAOYSA-N 467.641 5.089 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)Cc2ccsc2)c1 617403650 RYSQTLNGQZWWNT-QGZVFWFLSA-N 475.035 5.144 30 20 JKED Cc1cccc(-n2ncc(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2C(F)(F)F)c1 618301091 JQJZBSOUHIMRAK-VXGBXAGGSA-N 473.339 5.402 30 20 JKED O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618540589 UYNYOVSSLRBZSL-IUCAKERBSA-N 472.735 5.876 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccncc2)c1 637295572 VNHXWDZQQOCGOP-QHCPKHFHSA-N 482.005 5.094 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 726392581 IDJIRYUXEZDJCJ-BEFAXECRSA-N 479.524 5.091 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cc(C)on2)c1 726412796 UGOZBZIPUZFRLW-RUZDIDTESA-N 494.576 5.278 30 20 JKED Cc1ccc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Cl)cc2Cl)c1 726572514 YYFUPMOLFKRJGV-UHFFFAOYSA-O 459.378 5.096 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(Cl)c2)N(CC)C1=O 726891711 QFFRYMQBBUHZOQ-FQEVSTJZSA-N 475.998 5.118 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 727996232 HLGHTVOICCVZLQ-UHFFFAOYSA-N 470.529 5.597 30 20 JKED C=CCn1c(Sc2ncnc3c2c(Br)nn3C)nnc1-c1ccc(C(C)(C)C)cc1 728049714 NFFJSKURNMDHFJ-UHFFFAOYSA-N 484.427 5.019 30 20 JKED Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c2C)cc1 728670044 YHKOAJLALDLCGB-UHFFFAOYSA-N 480.524 5.257 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729177145 SJMKKHLLPTXVTH-SVBPBHIXSA-N 451.570 5.280 30 20 JKED COc1ccc(/C=C2\N=C(SCc3ccc(OCC#N)cc3)N(c3cc(C)cc(C)c3)C2=O)cc1 729241248 RYNZGWDZKUVRBZ-ONUIUJJFSA-N 483.593 5.892 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1C 729412821 IHKISNNLZRIUQY-UHFFFAOYSA-N 499.615 6.021 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCc2ncccc2C)ccc1Cl 729442178 YHAYXTCOOWISRO-UHFFFAOYSA-N 490.412 5.008 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc(F)ccc2F)C1=O)Nc1ccccc1F 729634889 VYVXXUFTFYDYCE-NRFANRHFSA-N 487.478 5.404 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CC(F)(F)F)cc1 731306106 RKOLPAUAAHMTIN-IBGZPJMESA-N 479.524 5.257 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)o1 731307421 RWFXMZDMSHCRDE-XORNHQRDSA-N 475.570 5.269 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C(C)C)cc1 731307549 IDYARVLKJZFALW-DEOSSOPVSA-N 488.613 5.380 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310760 PGMMZDQPICUGMW-LJQANCHMSA-N 469.563 5.062 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 731345435 UYELCPOWAFRYMD-IIBYNOLFSA-N 471.513 5.215 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2C2CCCC2)c1 743512132 MIQJSLKAAJAZMQ-NRFANRHFSA-N 483.565 5.044 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)ccc1Cl 745340165 DMMFLKDXKYPQKN-UHFFFAOYSA-N 489.912 5.021 30 20 JKED CCOc1cc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)ccc1OCC(=O)Nc1ccccc1 746347193 YDZZZEJZEKAIDO-WYMLVPIESA-N 461.562 5.393 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCOC(C)(C)C)C1=O 746693824 DTPMCBCBFGYSOP-NRFANRHFSA-N 499.036 5.296 30 20 JKED COc1cc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2C)ccc1S(=O)(=O)C(F)F 747066046 IUSXSCCLRBKPMJ-KTKRTIGZSA-N 494.947 5.103 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cscn1 747601853 IJBNCEKRFKWYPH-LJQANCHMSA-N 471.007 5.265 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)cc1C 747603796 YBQOTOGOTZBHPR-OAQYLSRUSA-N 499.061 5.882 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccccc1 750399250 ZZNKGTGVTONLHN-PBHICJAKSA-N 482.034 6.148 30 20 JKED C=CCc1cc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc(OC)c1OC 761178488 JJJLRCAXNKVIPV-UHFFFAOYSA-N 461.539 5.419 30 20 JKED Cc1ccc(-c2n[nH]cc2C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 812394016 MYWQLDICQZAZGM-UHFFFAOYSA-N 459.962 5.668 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)nc(O)c2C#N)cc1 824963328 AETIVPTZIBJUQN-BRABVMKYSA-N 486.597 5.091 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@H](C)c3ccccn3)C2=O)c1 837284291 KZOLKVOOPVCQIO-QPPBQGQZSA-N 486.641 6.037 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(C3CCN(C4CC4)CC3)C2=O)cc1 837883088 CMHCGZNCKGCYOK-HSZRJFAPSA-N 497.064 5.236 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 838279210 DMBTVNSSNQTZLL-GAJHUEQPSA-N 476.577 5.505 30 20 JKED CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901379895 RWRJHLHGZLZMOY-QGZVFWFLSA-N 496.243 5.570 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C 914541370 QPFLFFFVULUFLU-XMMPIXPASA-N 491.588 5.441 30 20 JKED CCOc1ccc(CN(C(=S)Nc2ccccc2C#N)c2ccc(OC)c(Cl)c2)cc1 915997007 GGWSSVSKQWVYAB-UHFFFAOYSA-N 451.979 6.023 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccccc3)C2=O)c1 916206213 MIKWOVHMCWAMQJ-XMMPIXPASA-N 489.597 5.173 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c(C)c1 916207954 PQIZJULBQRAOIP-HSZRJFAPSA-N 494.567 5.180 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@@H]2CCCO2)c1 916210118 ARIVOYKRCNZGKO-JTHBVZDNSA-N 465.619 5.060 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccccn2)C1=O)Nc1ccccc1 916214098 KGVROJMDMBBEGK-HXUWFJFHSA-N 485.396 5.549 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccccc2)c1)c1ccc(Cl)cc1Cl 916307796 QIPJTMDEEVOCKR-UHFFFAOYSA-N 468.369 5.675 30 20 JKED Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=Nn2cnc3sc(C)c(C)c3c2=O)cc1 916310851 NMFHVVNRTKSZLN-UHFFFAOYSA-N 457.534 5.257 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 916722546 ORFVKLAILHEVDZ-PCRNYRQLSA-N 489.041 5.302 30 20 JKED COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1OCc1c(C)noc1C 916845961 AHQCULHGYGSFBE-XSFOEPMVSA-N 459.527 5.378 30 20 JKED N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccc(SC(F)F)cc1 916888344 WDRLRJCLOPXPTP-MRXNPFEDSA-N 459.543 5.671 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916933645 HHJPRJCSLGDGKP-IBGZPJMESA-N 482.323 5.215 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916945564 XFONXDAUPSPLMO-FQEVSTJZSA-N 452.297 5.207 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 916955965 WEXPFEXUAMVLIE-QVKFZJNVSA-N 451.979 5.867 30 20 JKED N#C[C@H](C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997141 RQTSXDVLQGPDCC-VLDUQVBPSA-N 495.457 5.019 30 20 JKED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047134 RRZOVZKLXLAXPX-AEFFLSMTSA-N 455.967 5.262 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1O[C@H](C)C(=O)N(C)C 917605404 RPPHEASBVBJYHA-DPCFLFMUSA-N 494.569 5.474 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccsc2)c1 917689962 RPBJVUDXDLDBBU-JOCHJYFZSA-N 479.627 5.480 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2ccccc2c1 917699779 CUTJYILYXVYITI-QHCPKHFHSA-N 461.587 5.063 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)c1 917727840 JDEOKFQJYGGPDA-UHFFFAOYSA-N 479.646 5.943 30 20 JKED CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C(C)C)c1 918136396 RUXQNGFWLWSYSQ-DEOSSOPVSA-N 471.586 5.327 30 20 JKED C[C@H](OC(=O)c1[nH]c2ccc(Br)cc2c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 919338222 YYWYJLVBTOXASR-VIFPVBQESA-N 492.782 5.190 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3cc(C(F)(F)F)ccc3Cl)n2)cc1 920140460 COWUTZCEEGNWFO-AFCDSYGPSA-N 457.864 6.244 30 20 JKED CN(C)C(=O)COc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 920481048 TULXEABRGSDMKB-FMIVXFBMSA-N 497.378 5.609 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4CCCN(C(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785809089 NYFCSMMEFCRGEU-HXUWFJFHSA-N 481.637 5.124 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CC(=O)Nc3ccc(F)cc3)CCC2)cc1 1786103235 LWBWUQATRFHPMC-UHFFFAOYSA-N 463.553 5.057 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786103591 PYUYUQRBLSABIZ-OAQYLSRUSA-N 481.637 5.146 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)cc2)CCC1 1786786209 BNUYAVWUNIDMNG-XNTDXEJSSA-N 498.627 5.062 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)cc2)CCC1 1787110069 BQHSSALREPKIPT-UHFFFAOYSA-N 480.490 5.257 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc[nH]4)cc3)CCC2)cc1C#N 1788193185 NPBADVXJCNYZTG-UHFFFAOYSA-N 470.573 5.054 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccnn4C)c(Cl)s3)cc2)CCC1 1788380649 SGTRMPZXRNKBLG-INIZCTEOSA-N 499.036 5.141 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccccn34)cc2)CCC1)c1ccccc1 1788927409 QZHLOCWTEMEGGG-SANMLTNESA-N 490.607 5.588 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454060 OEKJJBGOKIZXJY-FIPFOOKPSA-N 495.664 5.536 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1790076347 HATNSMLGDNIPLM-IBGZPJMESA-N 478.552 5.255 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5cccnc5)cc4)CCC3)cc2)c1 1790148439 WUEFENQTVANVND-UHFFFAOYSA-N 461.525 5.010 30 20 JKED Cc1ccc2[nH]cc(CC(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)c2c1 1790702971 FRQSHHIHFIQOCG-UHFFFAOYSA-N 476.580 5.533 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791251404 HQCUUYRYRZTQDD-NHCUHLMSSA-N 483.653 5.370 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C5CCC(CC5)N4C(=O)OC(C)(C)C)cc3)CCC2)C1 1791409801 LVKBXDYADRNTIZ-TVNWEXPRSA-N 493.648 5.265 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc(Cl)n1 1792125358 WKWZRSUMDMNRCN-KRWDZBQOSA-N 488.975 5.432 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)c1 1792126286 DMFMSKKYDDEYJZ-GOSISDBHSA-N 488.551 5.123 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5cn4)CCC3)cc2)c1 1792126610 HCEOALDCPOIBHS-GOSISDBHSA-N 464.525 5.516 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)n2ccccc12 1799098515 CUMFVWHXGCRJMU-ZFFYZDHPSA-N 467.613 5.627 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1800743724 ZVJGDDXZTJDMLH-ALNZIZNGSA-N 475.555 5.435 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)c1 1801079245 OXRADHUKVPRHEP-BKFWDETESA-N 492.579 5.184 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1801637536 IRXZYVBESNCRAH-QDHCZXBTSA-N 491.651 5.888 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1802491140 HYTARQLWBOIAPQ-AXBBTRAGSA-N 470.617 5.275 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1802503668 QRGIAFAPZWFIDR-NBGIEHNGSA-N 493.051 5.837 30 20 JKED Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(CC#N)cc2)C3)c2ccccc12 1804621709 VURBKOJMCBRIDX-OOSCYNTBSA-N 465.597 5.099 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)[C@@](C)(OC)c3cccc4ccccc34)C2)CC1 1804801627 YASTVKIFCBMVPE-SANMLTNESA-N 484.587 5.144 30 20 JKED COc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)C2)c(Cl)c1 1806744515 BQESGPQGVBXCIH-FQEVSTJZSA-N 494.035 5.063 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3ncccc3c2)[C@@H]1c1cccnc1 1809015090 NVAOEWDEWZDSAI-LSYYVWMOSA-N 498.703 5.001 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1809154988 MBLJJRSVTACREF-QPPBQGQZSA-N 459.590 5.448 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1809396832 QNITURYJBUMEQM-YKSBVNFPSA-N 479.024 5.528 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)CC1 1809632438 SVRSZEAPVOWQBT-YWRKFBSTSA-N 475.677 5.364 30 20 JKED CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)CC1)c1ccccc1 1810338715 MGNUMMGWBHPSOQ-OAQYLSRUSA-N 498.549 5.011 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3ccncc3-c3cccc(C)c3)C2)CC1 1810345288 VKPSPHLTSNTNCU-UHFFFAOYSA-N 467.560 5.113 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c1Cl 1810681553 GDMPVQZILLVZSZ-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1811057059 RWXDYQXPSIQOQF-ARNLJNQMSA-N 486.641 5.293 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811272053 IJDYQYKJSYQBRM-UKILVPOCSA-N 492.570 5.020 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1811412270 IPOOBWZPDFWUAR-RLWLMLJZSA-N 461.650 5.572 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(Cl)cc3F)[C@@H]2c2cccnc2)cc1 1813973298 SBSQXDPMXMBFML-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(Cl)cc2Cl)n[nH]1 1814366311 XUXZMUGISJAXRE-SFHVURJKSA-N 462.381 5.186 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c(Cl)c1 1814582220 WFDPQJJWRRUYEV-FQEVSTJZSA-N 486.334 5.347 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)c1 1814739637 ZOXFNKAYNRYRIJ-QFIPXVFZSA-N 497.933 5.152 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)nc2ccccc12 1818655487 ZHHPGFUUHQPETJ-VDZCTEQFSA-N 499.596 5.073 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4)n[nH]3)c[nH]c2c1 1820487415 XVWRIKVIOSISPE-VMQHTIDMSA-N 478.556 5.090 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)ccc1F 1820915302 OGLHDUMJJPGXLN-GOSISDBHSA-N 493.589 5.245 30 20 JKED CC[C@H](C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821308968 RAVOILXDBZYJQN-LIRRHRJNSA-N 461.488 5.042 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2O)n[nH]1 1821348310 LAQHVDXCSBGAEU-NTKDMRAZSA-N 488.588 5.212 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4nscc34)n[nH]2)c(Cl)c1 1821521200 MGIKQDWCSZHPSN-NRFANRHFSA-N 490.976 5.164 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)ccc2[nH]1 1821581963 LUIGMAIAZYGXCL-RUZDIDTESA-N 480.572 5.010 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1 1822584788 BNYCWROVHHZDLC-HXUWFJFHSA-N 460.500 5.236 30 20 JKED C[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)CC1 1822943059 KDGVFAPILIPCLA-WJPUGNRLSA-N 453.974 5.067 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)[nH]n2)c1 1823212183 GLRYRVHVNZUCHI-DVECYGJZSA-N 467.573 5.074 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 1823978291 ZNNVWHBNRZAIRT-KBMIEXCESA-N 464.009 5.249 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C)n2)CC1)c1ccccc1 1825037915 QINALYXCLGLQFB-FQLXRVMXSA-N 485.672 5.140 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC#N)CC2)c1 1826693219 BLQCUXPQUALIMM-QFIPXVFZSA-N 474.443 5.110 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cc(Cl)ccn23)CC1 1827367112 OZDNGBXPMKDEAB-NRFANRHFSA-N 471.045 5.213 30 20 JKED Cc1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828903978 QLISZEYOUBKPDV-QFIPXVFZSA-N 458.744 5.341 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3F)CC2)cc1 1829659100 JLVRJRSQFUFOAX-DEOSSOPVSA-N 499.533 5.040 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3Cc4ccccc4C3)CC2)c1Cl 1829691121 KCDMYEUAYVELGI-AREMUKBSSA-N 490.047 5.250 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)c1Cl 1829693312 YSUYGBUXKUTKPE-UBFVSLLYSA-N 476.020 5.249 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)c[nH]2)cc1 1829953755 LQQCCKFXROJVRP-MUUNZHRXSA-N 480.612 5.409 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274700 HWQRLUMCZFSDPC-LERMDLETSA-N 488.097 5.179 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1830416537 UWLGRAFDCAVVOH-WXVAWEFUSA-N 490.648 5.091 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)CC1 1830464178 CLSPKXQCSQGAEV-AREMUKBSSA-N 495.067 5.527 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830474960 CJIKBGHZBHQMBI-HSZRJFAPSA-N 489.925 5.176 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC[C@@H]3CNc4ccccc4C3)CC2)cc1 1830628853 QGKHGILZTIBNSS-PWUYWRBVSA-N 498.671 5.051 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1830632573 RFFULLCPVPTPHQ-DEOSSOPVSA-N 485.962 5.231 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1830770753 JAZOJWBNFLOVKK-MUUNZHRXSA-N 485.628 5.203 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)ccc2[nH]1 1831037091 FTTYXVTWMSGZGP-MMTVBGGISA-N 482.628 5.651 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 1831297754 OVLHFQQBCDEJCK-RUZDIDTESA-N 497.561 5.362 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831308124 QJYFXPZAZYGNST-HSZRJFAPSA-N 463.449 5.349 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1831377764 LOIJWUDQMSWCMR-OEMFJLHTSA-N 491.717 5.100 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OCc3ccccc3)c(OC)cc2C)CC1 1831860396 RKHYRRQXSSTNKM-SANMLTNESA-N 490.644 5.392 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1831928244 HNAQVRVFKWEKAN-OBZNHSRCSA-N 498.614 5.255 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1832028611 RTTAPYYNGDMIJI-UBFVSLLYSA-N 455.042 5.257 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc4c3CCCO4)CC2)c1 1832630864 OUZXBPVQWONBEC-DFBJGRDBSA-N 491.657 5.247 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC(OC3CCN(C(=O)[C@H](S)C(C)C)CC3)CC2)cc1 1836882309 BIJDSKUPEUATTR-HHHXNRCGSA-N 494.701 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)CC1 1837394235 ICAKYZKJJXLHFW-UHFFFAOYSA-N 493.648 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(F)ccc3Cl)CC2)CC1 1838423919 QIJKOUPEEFVCJF-UHFFFAOYSA-N 465.009 5.084 30 20 JKED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)C2)cc(C(F)(F)F)c1 1843939449 YSCVGJOMQNYFTI-VLCRHTCISA-N 473.539 5.001 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F 10172821 WPPQXPQANSGACK-UHFFFAOYSA-O 489.514 5.783 30 20 JKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)c(Cl)c1 10178743 ZOTQBEKDWJIXET-UHFFFAOYSA-O 481.085 6.129 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1nc2c(s1)CCCC2 10429286 HIXDJOANOOLCKQ-UHFFFAOYSA-N 477.552 5.112 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159043 LQSTVYKZRXPWAR-UHFFFAOYSA-O 466.360 6.172 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(OC)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 11262137 RMWWEAZJMHHTCV-UHFFFAOYSA-O 481.641 6.187 30 20 JKED COc1ccc2cc(-c3cc(C(=O)OCC(=O)N[C@@](C)(C#N)C4CC4)c4ccccc4n3)ccc2c1 11397481 WJGJORKIUGYMSU-LJAQVGFWSA-N 479.536 5.029 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3C2)nnc1-c1ccc(Cl)cc1Cl 14182708 WVESJQLZIFQQIR-UHFFFAOYSA-N 465.431 5.176 30 20 JKED CCOc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccc(Br)cc2)cc1 15233009 UXGYNELZMAKOEU-MRXNPFEDSA-N 482.407 5.631 30 20 JKED C[C@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16773973 DBQHYNWPYVFGAB-INIZCTEOSA-N 474.977 5.033 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(OC)cc2)cc1 22731225 GDRVHSQBHKMQBJ-UHFFFAOYSA-O 461.651 6.554 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccc(OC)cc1 23554307 YOFBCIJIPSDUDV-FQEVSTJZSA-N 484.625 5.526 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3cccc(F)c3)o2)cc1 24509957 QYLDACMJGJSYIH-UHFFFAOYSA-N 461.522 5.194 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)c3oc4ccccc4c3CSCc3ccccc3)CC2)c1 30936248 VDJUTJUGWLKOQJ-UHFFFAOYSA-N 468.582 5.095 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 72025242 LJEOECKLCDXHNC-UHFFFAOYSA-N 454.530 5.542 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)cc1 108336860 CFWBEEADTBXZIG-UHFFFAOYSA-N 454.885 5.557 30 20 JKED CCC[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1cccc(N2CCCC2)c1 116567586 FTXFVIUZBYIRSX-RUZDIDTESA-N 498.652 5.847 30 20 JKED O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 195694865 HJGGJGPTGTWTSU-BZNIZROVSA-N 464.337 5.032 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 213692024 YHJNTSDXFPRNBJ-BXVZCJGGSA-N 486.597 5.071 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(-c3ccc4c(c3)OCCO4)nc21 247989592 KCRKIUIYLHORGC-UHFFFAOYSA-N 499.596 5.515 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccco1 303029130 NQGGKTXJOBUORU-UHFFFAOYSA-N 463.588 5.142 30 20 JKED N#C[C@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1cccc(Cl)c1Cl 303297920 CCKVTPPMSWLVHT-SFHVURJKSA-N 469.353 5.670 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1Cl 409636411 CTSSJJACHYJKEZ-RUZDIDTESA-N 495.970 5.964 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 487838024 PIUXMQOOCREFGJ-UHFFFAOYSA-N 493.279 5.697 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(OCc4ccccc4F)cc3)CC2)cc1 495440385 RRUIJZVMIBFRET-UHFFFAOYSA-N 458.537 5.016 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(OCC(F)(F)F)cc3)c2)cc1 509847687 ABMNFBKRDLNSTC-UHFFFAOYSA-N 469.463 5.594 30 20 JKED CCCn1c(=O)nc(O)c2c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc(C3CC3)nc21 510270640 NIECWFDQXQHFPX-UHFFFAOYSA-N 495.539 5.009 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 510748871 GUBGVPRKWQONBL-SFHVURJKSA-N 461.541 5.017 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 514503573 KHFXEMPTPIIZGQ-UHFFFAOYSA-N 474.373 5.015 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 514532660 UDSPNMKXUJUMAB-UHFFFAOYSA-N 464.569 5.401 30 20 JKED C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 515638744 NFSOTNAOXIXKHF-INIZCTEOSA-N 491.034 5.162 30 20 JKED C=CCc1ccc(OCC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(OC)c1 515740878 RWTBMVAAFDKZCF-GOSISDBHSA-N 462.521 5.071 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c2)c1 515939549 SGBPCGYUFOTBFO-OAQYLSRUSA-N 496.592 5.092 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 516417294 JZSROZANQZMWKZ-JOCHJYFZSA-N 460.921 5.010 30 20 JKED Cc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Br)c1 517460557 KNEZRQGIXQGXRA-ZDUSSCGKSA-N 486.357 6.221 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 517776150 PAVHQEMUBMNTSB-DEOSSOPVSA-N 467.013 5.113 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1Cl 517896178 YDMXTVBFBAJJBL-FYYLOGMGSA-N 491.954 5.562 30 20 JKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2ccccc12 518545545 QSKOLJLGLWNDGV-LJQANCHMSA-N 467.525 5.202 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)[C@@H](C)c1cc2ccccc2o1 518551164 OLHNWPJKJNJLTO-SFHVURJKSA-N 468.513 5.348 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2C)cc1Cl 518660310 PZENFEKKHADESH-HNNXBMFYSA-N 453.011 5.884 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 518668671 KZPQGYFZHSQZMF-UHFFFAOYSA-N 474.483 5.777 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2ccncc2)nnc1-c1ccc(Cl)cc1 518977621 ISPNSTXLTHTBJG-QHCPKHFHSA-N 476.005 5.177 30 20 JKED C=CCCO[C@@H](C)C(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 519999762 SWMRUXIZGYRTHW-MAUKXSAKSA-N 465.413 5.066 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 520145022 ONPQWEIWERCNBF-SANMLTNESA-N 494.595 5.586 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCCOc3ccc(S(C)(=O)=O)cc3)c2C#N)C1 520693477 VRWYDPDVPSEEBZ-KRWDZBQOSA-N 488.675 5.362 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 520835350 KNADLHPAGMYXCM-KUHUBIRLSA-N 462.402 5.488 30 20 JKED N#C[C@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1cccc(Cl)c1Cl 520889450 GQXZMMBXEKSPEP-KRWDZBQOSA-N 469.353 5.817 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1F 524439307 RDJYEVIHYLPJAL-XMMPIXPASA-N 489.938 5.574 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 589757803 JRTIHYNQSOJQSN-HSMVNMDESA-N 476.820 5.472 30 20 JKED COc1ccc([C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c2ccccc2)cc1 590613820 XFOYUSHJOXLZQQ-HHHXNRCGSA-N 456.590 5.418 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 597217193 DUCRIQFEHCTVIX-LJQANCHMSA-N 471.561 5.501 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 603596226 XLAKTZJXDQYBMS-PIIMJCKOSA-N 486.481 6.490 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)cn2)cc1 603764038 BGQWGODRFGFIEY-NRFANRHFSA-N 481.339 5.296 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)cc1 604003142 FYBFACVFXRGTPL-UHFFFAOYSA-N 466.516 5.397 30 20 JKED CC(C)C[C@H](C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 608822132 GQBWNPFVQHLSAF-GOSISDBHSA-N 488.444 5.447 30 20 JKED CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1=O 609381747 UTEAUKJLFIKCCO-OAHLLOKOSA-N 477.508 5.101 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2OC(C)C)nnc1-c1ccc(Cl)cc1 611949450 QHIKZSPIFAPPDH-KRWDZBQOSA-N 471.026 5.541 30 20 JKED N#Cc1ccc(-n2c(SCc3nnc(-c4ccccc4Cl)o3)nc3ccccc3c2=O)cc1 619562146 LCQYUEBNJDYJKZ-UHFFFAOYSA-N 471.929 5.253 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2cccc(F)c2)c2nccn2C)cc1OCC 642339770 OZDQYMFKPITKHF-OAQYLSRUSA-N 474.374 5.164 30 20 JKED O=C(Nc1ccc(OCC(F)(F)F)nc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642665971 QKBNATBOQMRVQH-IUCAKERBSA-N 453.305 5.054 30 20 JKED C=CCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nc2sc3c(c2c1=O)CCC3 648067066 QESROMUHEFOCOF-GFCCVEGCSA-N 458.559 5.731 30 20 JKED C=CCN(C(=O)COc1ccccc1[C@@H](C)CC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 648092759 YSWUMDCOBWDVLS-SFHVURJKSA-N 484.643 5.325 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 677560204 JZBLRCMWLBYSGZ-RPBOFIJWSA-N 498.608 5.126 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccc(F)cc1 677646280 KMTXCZWLHMRVTO-QHCPKHFHSA-N 458.562 5.420 30 20 JKED CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 725730166 PIYQHJOFLYFAIL-HSZRJFAPSA-N 496.596 5.408 30 20 JKED CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 726321345 GDVPAQDDZMBSET-VBQJREDUSA-N 464.418 5.578 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCOC(C)(C)C)c1cccs1 726418215 ASLSLFYASSRUJZ-IQDFABKFSA-N 477.627 5.092 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NCc2ccc([S@](=N)(=O)O)cc2)cc1 726571504 HEYOYKFPFFMAOS-UHFFFAOYSA-O 496.678 5.267 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1OC 726733408 XXIBFHOADFYYMA-KRWDZBQOSA-N 454.935 5.355 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)Nc1ccc(OC)c(Cl)c1 726960836 CYXHRSYMBLXTFS-UHFFFAOYSA-O 485.029 5.516 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1 727628992 ZFJIYMWTTHSNGD-RUZDIDTESA-N 474.944 5.402 30 20 JKED C=C(C)COc1cc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)ccc1OC 728158210 XFQHUGHWSUWRKK-XYGWBWBKSA-N 460.555 5.498 30 20 JKED C#Cc1cccc(N(C)C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)c1 728481936 WQXFHCDQTQAHRT-UHFFFAOYSA-N 458.583 5.064 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 728776183 MFSYRRRSYDFCMM-FQEVSTJZSA-N 488.535 5.037 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2CCCCC#N)c1 728780044 MYPOHNXTLRRSHV-QHCPKHFHSA-N 462.619 5.142 30 20 JKED CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCCC#N)c(Cl)cc2Cl)cc1 728892447 LLFNRNCNFXITAU-UHFFFAOYSA-N 482.433 5.560 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729146597 ULWDZNFVHLJWFN-QFIPXVFZSA-N 492.670 5.791 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 729318797 DBDOHTAADOVLIN-QFIPXVFZSA-N 485.996 6.586 30 20 JKED N#C[C@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nc(N)nc(Nc2ccccc2)n1 729888939 OBICLGYMFZWGPZ-CYBMUJFWSA-N 499.781 5.318 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O)Nc1ccc(SC(F)F)cc1 730459054 FRJPNIBHXUTVRZ-SFHVURJKSA-N 479.549 5.653 30 20 JKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2COc2cc(C)cc(C)c2)cc1OC 730565679 SKLKKFMLFNSGMJ-UHFFFAOYSA-N 460.987 5.096 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731303777 AWJUZZOCUBGZOR-IQGLISFBSA-N 496.592 5.662 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccco2)c(Cl)c1 731309290 RIWSNAWHDVAFOG-FQEVSTJZSA-N 483.977 5.416 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1C1CCCC1 731310389 HCSWROXHVKQYCI-FQEVSTJZSA-N 457.983 5.257 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 731400597 QZOGBFRGLURKKC-IBGZPJMESA-N 450.652 6.169 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCOC(C)(C)C)C1=O 746697800 MKYHMIWLQYBGBD-FQEVSTJZSA-N 490.025 5.124 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2cscn2)C1=O 747601322 GFZBYAZEYDEIIH-JOCHJYFZSA-N 494.642 5.436 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 750842378 NXGLYHILRYRJQI-UHFFFAOYSA-N 458.474 5.120 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 837713138 VHZNMKMWLGFGSS-YCRPNKLZSA-N 482.968 5.596 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)ccc1OCc1ccncc1 912797842 KDAMGCNLCUHLBB-UHFFFAOYSA-N 486.384 5.405 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc(-c2ccccc2)cs1 915101868 JHUHRLHDIVMSEU-IBGZPJMESA-N 452.626 5.934 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101895 NZSQLOFSPBRPGR-RBUKOAKNSA-N 470.019 5.191 30 20 JKED C=CCc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1OC 915658305 YROLNBWPYOCFQR-SFHVURJKSA-N 459.546 5.567 30 20 JKED CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 915722852 MXSFKFBJRKVXIK-AZGAKELHSA-N 489.019 5.133 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2COC)ccc1Cl 916057307 NZUBYNNAVJKIHS-UHFFFAOYSA-N 488.968 5.259 30 20 JKED COc1cc([C@@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(C)cc3)=C2C(C)=O)cc(OC)c1OC 916156666 WNHNVMPOJNNKKE-SANMLTNESA-N 486.568 5.288 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C[C@H]2CCCO2)c1 916204755 BAKLIXFQPQQCSV-RPWUZVMVSA-N 473.598 5.288 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1C 916205994 NJHWTPYUHXDZKA-GOSISDBHSA-N 499.942 5.274 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1F 916217507 OLMBGPXMCCVHBK-KUHUBIRLSA-N 496.391 5.272 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@H](C#N)c4ccc5ccccc5n4)cc3)ccc12 916848274 ISDPGIUKQCSDPD-XMMPIXPASA-N 460.489 5.719 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)[C@@H]1c1ccccc1OC 916849603 YFWRVNPJSCFDGO-XXAUWVGASA-N 455.558 5.200 30 20 JKED N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1ccc(SC(F)F)cc1 916888234 UFKDPIIUNGXOIO-SFHVURJKSA-N 455.486 5.327 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 916901796 QUNMPJRZURDGTA-KRWDZBQOSA-N 478.961 5.327 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1 916911264 VDRNUFSOTAZJLU-OAQYLSRUSA-N 471.944 5.777 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)cc1 916913428 QNKICKBRJFBJOF-NRFANRHFSA-N 491.389 5.037 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Br)c(OCC)c(OC)c2)cc1 916914772 USYYIQMWAJZYRA-GOSISDBHSA-N 473.367 5.160 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917045902 CJSALBOYJZZURW-CQSZACIVSA-N 477.767 5.560 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cs1 917560280 VCBMWYJQEAIOFS-FLIBITNWSA-N 493.541 6.500 30 20 JKED CC(C)(C)c1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)cc1 917613092 KIEIPHSDKOVDMO-UHFFFAOYSA-O 470.662 6.764 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2c(C)cccc2C)n1 917657627 HZOUEAMNWUIVNZ-NRFANRHFSA-N 494.020 5.216 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)OCc2ccccc2)cc1Cl 917673243 CNLXZXWXUNMRAC-HSZRJFAPSA-N 461.949 5.641 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccc(F)cc2)n1 917677297 AOYBHAPOACSUKU-DEOSSOPVSA-N 499.571 5.238 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2)c1 917682917 MKSDIKYKIYYLIM-XMMPIXPASA-N 491.588 5.441 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 917689772 ODBVXMLHRJFMAD-JOCHJYFZSA-N 494.020 5.161 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccsc2)cc1 917690757 IWCVEQCGYMLOPQ-JOCHJYFZSA-N 495.626 5.316 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2occc2CSc2ccccc2)c1 918165032 JKTPUVAFRKYCRR-SLEBQGDGSA-N 497.642 5.417 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)CCc1ncc(-c2ccccc2Br)o1 919680921 YRFCPLFCFQJHTD-UHFFFAOYSA-N 461.699 5.176 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 920107839 HBTTWSMEJDSQLZ-FZKQIMNGSA-N 474.369 5.618 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 920109888 VCMQSSKYXPBCPW-RUZDIDTESA-N 480.543 5.764 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)cc1 920170609 MXEGFBTZSULWKL-JOCHJYFZSA-N 491.569 5.009 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cc1 920205569 VRWJWAFPVVHYGO-RUZDIDTESA-N 471.988 5.562 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1 920819493 PZIKVVNEGOUVMI-NLFFAJNJSA-N 459.958 5.563 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 920869017 MKMDCSXMJXQDER-SCLBCKFNSA-N 498.407 5.375 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)n1 920912758 QZJALEFHPGGTJE-HNNXBMFYSA-N 461.326 5.584 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 921010416 IYOBORSXGFRFSK-UHFFFAOYSA-N 483.977 5.287 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3ccc(C(C)(C)C)s3)C2)c1 1778331337 PSPXAEHYYIHCEX-DUAIZULJSA-N 493.673 5.114 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4nccc5occc45)CCC3)cc2)c1 1786040681 HZILTHZAJHCQRH-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789469891 SLIWQWBOPOVCOT-LEWJYISDSA-N 466.585 5.562 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCC1 1790215095 UICZOEPXRPXAFK-JOCHJYFZSA-N 481.568 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3-n3nccn3)cc2)CCC1 1790723054 HJQGSOHFQIJOJM-UHFFFAOYSA-N 457.578 5.007 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)CCC2)cc1 1791243324 LAXWWILHZVNQHI-GOSISDBHSA-N 480.609 5.332 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CCC2)cc1 1791251323 CGUYIZJGLHDQOK-GHTZIAJQSA-N 457.615 5.026 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)ccc1F 1791324293 VDVZFYSZAYENJC-HLAWJBBLSA-N 459.565 5.200 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OCC4CC4)c3)CCC2)cc1 1791730721 SQASZZDNYKURLQ-UHFFFAOYSA-N 474.601 5.425 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)ccc3s1)C2 1798334599 FCTYSPWGXQEYMI-YRPNKDGESA-N 487.463 5.684 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/Sc1ccc(C)cc1)c1ccc(O)cc1 1798391232 YLWCHESNHIBGIZ-BMDGMCHFSA-N 488.653 5.142 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc[nH]c3cc1Cl)C2 1798419773 IWWCHSDXVKSCNQ-ACDBMABISA-N 470.089 5.124 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2occc2n1-c1ccccc1 1799110399 IDERRXORXWQNJX-VILGAWFOSA-N 497.982 5.180 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1802494658 FPZPYONYSAMSRF-YKSBVNFPSA-N 480.008 5.793 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1802503471 PEFCSPWILBBQQG-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1802503771 UERPNHFKNGWJIQ-SQHAQQRYSA-N 482.628 5.456 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1)[C@@H]1CC=CCC1 1803042134 BUFLTYSYWWVZEX-XUEBXJBISA-N 489.619 5.157 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)[C@@H]1c1cccnc1 1803087848 WTMHSNMOCRALPO-RBJSKKJNSA-N 498.602 5.371 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1803604409 SJBAJRYTSIIUPR-HVETUWLQSA-N 488.078 5.224 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1804059373 MWHMCZAUEFSAFF-DVECYGJZSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1804164765 UGHSFOKDDIEIKK-YWEHKCAJSA-N 485.628 5.312 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(Br)cc(C(C)C)c4)CC3)C2)C1 1804785823 VYKJNMVRIYXFIH-UHFFFAOYSA-N 473.455 5.384 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)C1 1805452237 WIDYOKZGQXLBEE-FCHUYYIVSA-N 456.577 5.068 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1805698829 SECXBSHSQSCPIE-QUCCMNQESA-N 477.527 5.314 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811458949 FBBCOTSUZIBBIN-JTSKRJEESA-N 492.422 5.840 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@H]1c1cccnc1)C(F)(F)F 1812676667 BPBIASFUIPWDRR-SZOBAZRNSA-N 473.539 5.036 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1814303345 POSDIMPMZBEWOS-NEEKEDPPSA-N 481.640 5.375 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814380729 XLFQGNZFJBEAPE-DYESRHJHSA-N 493.658 5.149 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1)c1ccccc1 1814381255 NHMPBCMRFAMKCV-CJFMBICVSA-N 469.589 5.100 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)cc1 1814578616 LCCQWZZOIHFWRR-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2ccc(OC)cc2)n[nH]1 1814735074 YAJOIUGURFYCQD-PGRDOPGGSA-N 452.599 5.207 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c1 1814739811 HOMIZDSNADEHCZ-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COCc2ccc(C)c(C)c2)[nH]n1 1814829478 RHDOBHGMEJLABT-DEOSSOPVSA-N 464.610 5.004 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818163775 DXNZDCNMJOWVEZ-OXJNMPFZSA-N 482.968 5.220 30 20 JKED CC1=CC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC3)CC1 1818627447 ARLQRURNXMJRPD-MAUKXSAKSA-N 488.535 5.006 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818775093 LWVHJBRRCHTTSQ-YLJYHZDGSA-N 487.025 5.157 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)[nH]n1 1819385625 YNEVVGMPPHRNOI-AUSIDOKSSA-N 496.650 5.371 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2ccccc2)n[nH]1 1820004647 DSFDVXSZLZTHNS-OFVILXPXSA-N 469.589 5.546 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820102256 QVFHEYBMNVJFLK-LJQANCHMSA-N 479.631 5.102 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)[nH]n2)cc1 1820551052 FELWHYCVZPCZEW-DEOSSOPVSA-N 489.535 5.800 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)ccc2OCC)n[nH]1 1821154541 UHCITSVBJSAIHV-RXVVDRJESA-N 471.001 5.536 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)[nH]n2)cc(C(F)(F)F)c1 1821308795 GMBUHRLZUJKMMU-IFMALSPDSA-N 499.468 5.317 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c1 1821324772 DULPWQPGUOGKHY-FQEVSTJZSA-N 465.916 5.002 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)c12 1821494122 XEJOYYTUCPOXBX-UZUQRXQVSA-N 496.571 5.146 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821856379 CTSUNNGGLWZBEY-QNWVGRARSA-N 487.044 5.068 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)[nH]n1 1821917301 SMKNKZYRIRVASY-QHPDVLMOSA-N 474.605 5.329 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)[nH]n1 1821987802 SUOMHAKYCCTOGA-MRXNPFEDSA-N 496.440 5.108 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1)C(F)(F)F 1821991753 DLFHWJUOBCFSRU-FQEVSTJZSA-N 483.494 5.205 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)[nH]n2)c1 1823215490 SWYHBVZVANOLPM-HXOBKFHXSA-N 467.529 5.403 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(N(C)C)cc3)[nH]n2)c1 1823215886 JGHXITCRZSKYTK-RXFWQSSRSA-N 498.631 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2SCC)CC1 1823658801 QTEUTBUJZIVMHZ-QFIPXVFZSA-N 457.684 5.419 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@](C)(OC)c3cccc4ccccc34)CC2)C1 1823698687 OMLRSBIEFWOSJG-FIBWVYCGSA-N 474.645 5.287 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCc3ccccc3F)CC2)c1 1824166740 OHELQEVWXMMUPG-SANMLTNESA-N 479.571 5.093 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824207951 FLUWGBDSKILNEY-JOCHJYFZSA-N 491.717 5.292 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cc(Br)ccc3F)CC2)C1 1824480094 PPNSBECGOIVPHN-HSZRJFAPSA-N 491.445 5.107 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1)c1ccc(O)cc1 1824633286 FHFBRUCUTORZSY-ISKFKSNPSA-N 488.619 5.190 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1 1824930582 NHJBGQSIYKJZKL-ZBLYBZFDSA-N 487.619 5.418 30 20 JKED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)CC2 1825126035 CMWODWAUTOYPDP-SWLSCSKDSA-N 476.524 5.081 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1827365575 ZMSKNUXMHMLSET-HHHXNRCGSA-N 487.644 5.184 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1)c1cccs1 1827684788 UCWNUBUYPFJDQR-LIPVSWKKSA-N 468.663 5.077 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)CC2)c1Cl 1828334773 WPSOMACSPMWJRL-HXUWFJFHSA-N 481.021 5.302 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)n2C)CC1 1828828508 LFOICGWEVCPZNP-PMACEKPBSA-N 465.560 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828828876 UBNVGWBAKVXKAO-YKSBVNFPSA-N 468.041 5.823 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573682 JMDATPYWBBTTDO-AOYPEHQESA-N 499.655 6.430 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)CC2)cc1 1829582233 OIUANAKKTGLRJN-XMMPIXPASA-N 496.636 5.573 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685667 MRXQWZUWDYAKPJ-LJQANCHMSA-N 465.972 5.126 30 20 JKED COc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)cc2ccccc2c1Cl 1829708939 ZSXKLUAYIOHMPQ-QFIPXVFZSA-N 482.024 5.285 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)c1 1829779504 CBHUJKHPSOZWFT-RUZDIDTESA-N 480.568 5.333 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)oc2ccccc12 1830015229 WNDPEWCHRWALBS-DEOSSOPVSA-N 455.558 5.160 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Br)c3ccccc23)CC1 1830127556 ULKFRZJJLUKCGF-HSZRJFAPSA-N 499.449 5.177 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830661501 CKGOZVIOXKJPAX-OAQYLSRUSA-N 483.049 5.030 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1831375296 SILINWZHOQSLJZ-UGKGYDQZSA-N 463.647 5.600 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1)C(F)(F)F 1831451141 NGFIDLJTXQLLGK-LJQANCHMSA-N 468.903 5.438 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1)C(F)(F)F 1831455242 MQEIFJIWAAEGMO-JRMCHAMMSA-N 499.371 5.201 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 1831855358 WDCLJUKIUZHLEH-DEOSSOPVSA-N 499.493 5.294 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc(F)c1F 1832620427 CGEWQHNBCBEAPG-BVZFJXPGSA-N 479.571 5.447 30 20 JKED CCSc1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832628649 ZWHYXPIOOYXODX-CPJSRVTESA-N 490.673 5.368 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699725 MSXRWOUJMIKREL-AMGIVPHBSA-N 475.633 5.388 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)/C=C/Sc3ccc(C)cc3)CC2)CC1 1835711649 SZHZNXKQNABNFM-XMHGGMMESA-N 483.722 5.165 30 20 JKED CN(CC[C@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccccc1)C(=O)OC(C)(C)C 2048541413 QBGJRIZJYPIJIS-QHCPKHFHSA-N 467.415 5.363 30 20 JKED N#CCSC1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)F)cc1 9031590 MVMBDQIDPASDIW-CXUHLZMHSA-N 454.285 5.595 30 20 JKED Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 9863052 UXDJNKMTQCHNRL-HNNXBMFYSA-N 468.604 5.278 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(Cl)s1 10757741 SNPWIDUFXVGONP-UHFFFAOYSA-O 480.437 6.411 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccccc2C(F)(F)F)cc1 11157240 MGDPADWDINBQJA-UHFFFAOYSA-O 460.545 5.562 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(C(C)C)cc1 11262373 YTUJEONMZRHPNP-UHFFFAOYSA-O 472.461 7.018 30 20 JKED C[C@H](/N=C(\O)CSc1nnc(COc2ccc(Cl)cc2)n1C)c1cccc2ccccc12 13128578 SUOBKKTVLJYJMD-INIZCTEOSA-N 466.994 6.011 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccc(Br)cc1 15351660 OEUDYIAKTNDHTR-OAHLLOKOSA-N 487.423 5.405 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)s3)o2)nnc1-c1ccccc1 18952417 RAUPTGCFXUSFSW-UHFFFAOYSA-N 460.382 5.297 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(Br)cc1 21927176 NRIYRSRJHAYUIO-UHFFFAOYSA-N 477.815 5.586 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2ccccc2F)nc2scc(-c3cccs3)c2c1=O 21953703 YPURIPUXFQHAPA-AWEZNQCLSA-N 485.631 5.309 30 20 JKED C=CCn1c(SCC(=O)NCCCc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 22564341 WJEWSMVRLAHNBZ-UHFFFAOYSA-N 461.418 5.279 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)c2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 22613589 NQXSIRZAHULIIR-UHFFFAOYSA-N 480.348 5.095 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 23605008 SKLHGJDSNCCSTK-UHFFFAOYSA-O 498.672 5.290 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(C)Cc2cccc(C#N)c2)s1 25105028 GDSLJMGAJCKFFU-UHFFFAOYSA-N 468.582 5.635 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)nnc1-c1ccc(Cl)cc1 27291218 SZSMPYRGFKYITP-INIZCTEOSA-N 496.036 5.103 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H](C)Sc2ccc(C(F)(F)F)cc21 108302372 POIUSZDIYJGSDN-ZDUSSCGKSA-N 473.524 5.087 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 108741225 XGCVBXLBOYSMGI-QHCPKHFHSA-N 479.964 5.383 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 108942653 MYIODABICKSPIQ-SFHVURJKSA-N 460.375 5.244 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1csc(Br)c1 409522422 PFPAWNUXJQEHMU-UHFFFAOYSA-N 462.182 5.310 30 20 JKED C=CCN(C(=O)c1ccc(OCCCC)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491063682 VESQKKNIHQCVKV-UHFFFAOYSA-N 470.616 5.225 30 20 JKED C=CCc1cc(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc(OC)c1OC 497321832 GNFYXTSAEIQJEQ-UHFFFAOYSA-N 462.521 5.062 30 20 JKED C=CCn1c(Sc2nc(COC)nc3scc(-c4ccccc4)c23)nnc1-c1ccncc1 498686705 XWRHMMDNTYFECM-UHFFFAOYSA-N 472.599 5.495 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(S[C@H](C)CC)cc1C(F)(F)F 501283405 NEKGCZRHINKWPY-MRXNPFEDSA-N 475.536 5.621 30 20 JKED C[C@@H](c1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1-c1ccc(Cl)cc1)N(C)C 501707777 DUQAHUZOIPDSLK-KRWDZBQOSA-N 493.036 5.387 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1)c1ccccc1 502047421 FTVZSFDBJJMYCE-XMMPIXPASA-N 451.570 5.140 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1CN(CC)C(C)=O 502676338 APTJKKCUDBTWSR-UHFFFAOYSA-N 462.363 5.177 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1Cl 505103136 DBPXFMIHPBCWPJ-XMMPIXPASA-N 459.977 5.865 30 20 JKED C=CCn1c(SC[C@@H](O)COc2c(Cl)cccc2Cl)nnc1-c1cccc(C)c1 508391693 LXPXCEYYQFEXIF-INIZCTEOSA-N 450.391 5.278 30 20 JKED CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)[C@H](C)c1ccc(C#N)cc1 509583044 JKQPJZHYQNIFTE-MRXNPFEDSA-N 455.389 5.820 30 20 JKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)CCc1c(C)nc(O)c(C#N)c1C 513081144 PUSUWYLKQMAFMM-UHFFFAOYSA-N 471.479 5.536 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513692622 QQRBVIGSHAQKOS-HXUWFJFHSA-N 455.539 5.345 30 20 JKED CC(C)n1c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccc(Cl)cc1Cl 515175153 HAPPLELLDZZWHY-IBGZPJMESA-N 472.401 5.602 30 20 JKED C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F)c1ccc(C#N)cc1 516836986 MKEHJSWJCXZWRJ-NYHFZMIOSA-N 452.327 5.610 30 20 JKED Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 518245225 JWEDXFDCDGCNCZ-QGZVFWFLSA-N 483.590 5.582 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 518260337 XZHMWWKFMZEOQZ-SFHVURJKSA-N 457.043 5.768 30 20 JKED O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 518325135 FTUFKIDZNIQNGE-UHFFFAOYSA-N 483.347 5.487 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 518661261 WIMIJPQNKSPDPH-KRWDZBQOSA-N 483.590 5.059 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@H]1c1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 518709160 NTENSHYFPWPFLB-HXUWFJFHSA-N 472.492 5.599 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)cc2)c1 518754515 POOZEQKWZJPKJQ-UHFFFAOYSA-N 472.932 6.557 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cnn1-c1ccc(C(F)(F)F)cn1 519027583 RNIQMRUNKFWNNI-UHFFFAOYSA-N 491.473 6.326 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N(CCO)Cc3cc(Br)ccc3F)c2)cc1 519195550 IBVLEQGRCQDUGE-UHFFFAOYSA-N 484.325 5.279 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)Cc2ccccc2Br)cc1 520178345 FCCOTMHAFQOICR-UHFFFAOYSA-N 470.411 5.707 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc(-c2c(F)cccc2F)cs1 520429356 LVYJNVDTLVOMAN-GOSISDBHSA-N 465.525 6.097 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1C 520470899 XMYQTFOPYZHWNW-QFIPXVFZSA-N 479.584 5.546 30 20 JKED CSCc1nc2ccccc2n1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 524458712 CQYOQXOWDLJYBK-UHFFFAOYSA-N 460.534 5.128 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc(-c2cccnc2)no1 552282610 YAPXOJFUKGEFEM-FYYLOGMGSA-N 486.963 5.959 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 561496650 UKBXIKPPAAMYDU-UHFFFAOYSA-N 467.960 6.116 30 20 JKED CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 584907571 NCVLBLSMTIWLNJ-UHFFFAOYSA-N 458.791 5.102 30 20 JKED COc1ccc(-c2cc3nc(CSc4nc5c(cc4C#N)CCCC5)[nH]c(=O)c3s2)cc1 585688757 BTXMGYLRTJSJPA-UHFFFAOYSA-N 460.584 5.098 30 20 JKED Cc1ccc(-n2nc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c3c2CCC3)c(F)c1 593021527 GTAAWNYULDUIDQ-STQMWFEESA-N 477.424 5.448 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)cc1 594651465 BDZXMDPJYFELOI-NGXSIQFZSA-N 481.571 5.472 30 20 JKED C=CCN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 595182293 KQELVOPENDLPSQ-ZEQRLZLVSA-N 488.634 5.690 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 603449342 NSFPGJKUSSRWAK-UHFFFAOYSA-N 456.571 5.136 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CCCCCC4)cs2)cc1OC 603996019 AXKMSQXRNCSDQT-UHFFFAOYSA-N 467.616 5.601 30 20 JKED CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604084758 IBIUTQBLDAGHBE-UHFFFAOYSA-N 474.011 5.288 30 20 JKED CSc1nnc(CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1C1CCCC1 608839914 ZHLKPDICGGCCTQ-UHFFFAOYSA-N 491.686 5.642 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)o1 608875521 QTYYENKTFNTRCA-UHFFFAOYSA-N 454.364 5.051 30 20 JKED CC[C@@H](c1ccccc1)c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)o1 609018913 SGNJORZEOSBSCE-RDJZCZTQSA-N 466.632 5.790 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 609060775 MVRQLCLQRYZNEZ-UHFFFAOYSA-N 451.482 5.543 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)o2)cc1 609069436 QTSLHPBRMPGDEV-UHFFFAOYSA-N 452.470 5.627 30 20 JKED CCOC(=O)C1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609079978 NDCJLRAUPVZYIR-UHFFFAOYSA-N 455.942 5.034 30 20 JKED N#CCCSc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 609375626 XWGCXRLKABFRBQ-UHFFFAOYSA-N 461.509 5.202 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 609377946 SFAJMCVEKJEUJE-GAJHUEQPSA-N 457.555 5.133 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c(C)c2)n1 609424423 HUJTYKVAOZUGMH-UHFFFAOYSA-N 465.648 5.379 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1 614999797 IXKNCADMSLODPB-UHFFFAOYSA-N 453.546 5.156 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(Cl)cc1 617895875 BMZCZHMXNSUUEE-HNNXBMFYSA-N 461.418 6.174 30 20 JKED COc1ccc([C@H](NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccc(F)cc2)cc1 619670506 WVGUVFLFIVOAGY-TXPKVOOTSA-N 478.408 5.696 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)CC)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 621154366 KJYLHZUHKGHTFB-UHFFFAOYSA-N 488.634 6.104 30 20 JKED C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 642637183 UWRLXUQISCJWQD-QQUHWDOBSA-N 450.345 5.975 30 20 JKED COc1cc(C=Nn2cnc3ccccc32)ccc1OCCOc1cccc(Br)c1 725848786 IIUZLRIFNREJFX-UHFFFAOYSA-N 466.335 5.147 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cccs2)cn1 726118129 JMFWIADJKIBNNE-JOCHJYFZSA-N 489.626 5.278 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 726391891 CQIKCYRQBXGVIP-YWZLYKJASA-N 494.444 5.056 30 20 JKED COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)c1 727984603 QZJIPGGYIOBOAY-UHFFFAOYSA-N 461.499 5.123 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 728777112 IPEMAKZRSBXREY-HSZRJFAPSA-N 456.571 5.494 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 728780679 WPYQOENHUOWRQT-IBGZPJMESA-N 475.401 5.648 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](c1ccccc1)c1cccc(Br)c1 729112662 HWWXHQFSHZLQAO-HSZRJFAPSA-N 465.347 5.304 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1scnc1C 729145398 KTRAFJIVBMAHDY-HXUWFJFHSA-N 482.606 5.314 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@@H](C)c1cccs1 729145665 MZUUFBSOMUANQV-ZMEVCAEBSA-N 488.635 5.242 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc(NC(C)=O)c1 729633857 GWIUEGVOUIWWJY-QHCPKHFHSA-N 496.633 5.050 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)c1 729634721 RQTAHLMTKYGHJS-HSZRJFAPSA-N 476.577 5.306 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)c2cccc(F)c2)nnc1-c1ccc(Cl)cc1Cl 730430715 SSDBDDVJBSXCCK-UHFFFAOYSA-N 480.348 5.095 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCc3c(C)noc3C)C2=O)cc1 730441842 MRCUFBTZXIWYJE-XMMPIXPASA-N 490.629 5.420 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 730687863 QDTMZVZJAFOPKR-PKOBYXMFSA-N 484.668 5.659 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 730943460 DCDOKPAPRWSQGV-BTYIYWSLSA-N 466.513 5.081 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730945850 ZPIOFLSXAPEPSZ-NBGIEHNGSA-N 486.641 5.982 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 730993610 CIMOLBYNCRUKPM-UHFFFAOYSA-N 482.427 5.257 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C 731067374 QZYNQWLJTLAZSQ-HXUWFJFHSA-N 486.593 5.724 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1ccccc1 731068783 CPTIJBZIHKDROU-SFHVURJKSA-N 462.575 5.185 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccc2F)C1=O)Nc1cccc(O)c1 731305045 FUOLCQSQQLBXEE-NRFANRHFSA-N 483.952 5.345 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731308759 NLAHRHUXLYZRDS-OAHLLOKOSA-N 492.306 5.222 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)CCc1ccco1 731311064 VTMRURNILUYARZ-JPYJTQIMSA-N 477.586 5.275 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1ccco1)c1cccs1 731313325 XZHUDBLQTUJRHN-ZGHKWNEASA-N 483.615 5.068 30 20 JKED COc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)cc1OCc1ccccc1 747066504 MGKSLXBISSDYOJ-FLIBITNWSA-N 488.508 5.175 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3nc4ccccc4s3)o2)ccc1S(=O)(=O)C(F)F 747066779 ONRZYRWJQBRECV-CLFYSBASSA-N 475.494 5.457 30 20 JKED O=C1/C(=C\c2csc([N+](=O)[O-])c2)CN(c2ccccc2)C/C1=C\c1csc([N+](=O)[O-])c1 747317365 RXVVWNZRLTWMSQ-JTSIYALXSA-N 453.501 5.182 30 20 JKED COc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1OCCCC#N 747361410 LOTKLPNZDTURKS-LDADJPATSA-N 486.956 5.035 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c(C)c1 747599488 JVCZGWXMESHXJD-QFIPXVFZSA-N 492.670 5.580 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O)Nc1ccc(F)c(Cl)c1 747601200 DQXRSUDJIJEJOF-GOSISDBHSA-N 492.960 5.235 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2C)n1 748036447 NVMGPPJHFJQJRP-QFIPXVFZSA-N 492.576 5.007 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnccc2OC)c1 748204462 KYVGZUOKOLTLTJ-UHFFFAOYSA-N 492.384 5.031 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2ccc(C)cc2)C=C1 748293175 UACDCPCKFPWIGO-UHFFFAOYSA-O 463.579 5.184 30 20 JKED C/C(=C/C(=O)O[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(F)(F)F)cc1 748383752 ANVMBLWRMKVHRA-UFGYOYAJSA-N 467.312 5.375 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CSc3cccc[n+]3[O-])c2C#N)C(C)(C)C1 754802288 RJEJPXIRJSGODK-BQYQJAHWSA-N 493.679 6.132 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CC(F)(F)F)C1=O 799210895 FLLATHWCRMXRLG-GOSISDBHSA-N 499.942 5.488 30 20 JKED Cc1ccc(NC(=O)c2sc3[nH]c(/C(Cl)=C\c4cccc(C#N)c4)nc(=O)c3c2C)c(C)c1 834756048 JILQCQPNBYJCDW-WOJGMQOQSA-N 474.973 5.771 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 837524112 GGURCHKQSCHKIH-IIBYNOLFSA-N 498.530 5.822 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837641365 MULVEGUPADGQAI-CVDCTZTESA-N 458.587 5.420 30 20 JKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 857494970 HJEOJIPQWFHPLO-KRWDZBQOSA-N 465.365 5.125 30 20 JKED Cc1csc(SCc2ccccc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)n1 901939056 QLIQWBMWKOMIOA-UHFFFAOYSA-N 495.680 6.012 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cccs2)cc1F 914552405 APCFWFZYYPRVLF-NRFANRHFSA-N 467.591 5.034 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 915086682 WEPFBCJQADJKAG-HHHXNRCGSA-N 455.517 6.916 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915102168 SRNOCABKHCHASE-QFIPXVFZSA-N 478.017 5.511 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1 915352498 JEBDBQCYVOIFLL-DEOSSOPVSA-N 474.992 5.224 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccco3)C2=O)cc1OC 916212409 VMNACCVREGZGCN-QHCPKHFHSA-N 493.585 5.074 30 20 JKED Fc1ccccc1-c1nnc(S)n1N=Cc1csc(-c2cccc(Br)c2)n1 916319869 QHCBAEYZEIMHCS-UHFFFAOYSA-N 460.357 5.141 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)c1ccccc1 916622946 SMNQXYAQTJRXCK-OAQYLSRUSA-N 495.446 6.181 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 916907287 LSJVKEZMEZSETF-IGKIAQTJSA-N 491.056 6.635 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCC(C)C 916919717 ZLBMWXYQZTURIE-LJQANCHMSA-N 450.922 5.498 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1OC 916947329 HLXOWHFLCWHROP-KDOFPFPSSA-N 473.367 5.331 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)NC(=O)c3cccc(Cl)c3Cl)n2)cc1 916974796 QWOAKXUZBKYZMF-XJKSGUPXSA-N 458.370 5.420 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(-c3ccccc3)cc2)cc1 917612756 GMGZOKKKICRBMY-UHFFFAOYSA-O 490.652 7.134 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cc1 918450609 UPUSAAWQNUTDDK-AHKZPQOWSA-N 493.538 5.356 30 20 JKED Fc1ccccc1Nc1nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(=S)s1 918736680 XGNKYSNUTCBLGP-UWVGGRQHSA-N 460.444 5.577 30 20 JKED CCCOc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CO2 920068879 DSSWLVSQZPACHI-WJDWOHSUSA-N 452.507 5.414 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 920104453 TUFOYAYVTYSQLU-QFIPXVFZSA-N 469.566 5.705 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920356269 OZFDKFUKPYOUGT-NRFANRHFSA-N 498.992 5.114 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4c(ncn4-c4ccccc4)C3)cc2F)c1 929077661 IERXLFFMLYABBX-UHFFFAOYSA-N 467.504 5.052 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4scnc4C4CC4)cc3)CCC2)c1Cl 1787186279 HWLIZUCFTUWIPV-UHFFFAOYSA-N 476.989 5.607 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)s1 1787334825 IREHLIPRKFNRAT-UHFFFAOYSA-N 499.518 5.107 30 20 JKED C[C@H](Nc1cccnc1)C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1788032859 AEIWWSONICIVMT-NRFANRHFSA-N 476.697 5.067 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4csc(-c5cccnc5)n4)cc3)CCC2)cc1 1788676034 MBJVHEUJSCZHCK-UHFFFAOYSA-N 479.565 5.138 30 20 JKED Cn1c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)ccc1C(F)(F)F 1788847247 QYPMEAZMDLGAAP-UHFFFAOYSA-N 480.490 5.171 30 20 JKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)c2s1 1788944948 QSJUKNYZUFVCSB-UHFFFAOYSA-N 480.593 5.732 30 20 JKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)ccc2s1 1789047994 BJWFFDPVFHDFDJ-UHFFFAOYSA-N 480.593 5.732 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)cc2)CCC1 1789219105 SBCLCZOAHSTNRB-IBGZPJMESA-N 467.573 5.289 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H](C)Sc3cccs3)cc2)CCC1 1789413124 ABYDGVKFUKSOQC-SFHVURJKSA-N 458.649 5.346 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1789515036 MVLIZZSLKXWHCI-UXHLAJHPSA-N 490.007 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccnc4)[nH]n3)CCC2)cc1 1789626593 YBKWEDKKQQPFLK-UHFFFAOYSA-N 457.578 5.212 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccn4)nc4ncccc34)cc2)CCC1 1790014854 HSPJBCFQPMYPMN-UHFFFAOYSA-N 463.541 5.016 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccn5)nc5ncccc45)cc3)CCC2)C1 1790015191 RQICZZKKJJZMTO-UHFFFAOYSA-N 489.579 5.406 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4c(F)cc(Cl)cc4Cl)CCC3)cc2)c1 1790148123 HQTMKQYMKOMVKY-UHFFFAOYSA-N 471.319 5.394 30 20 JKED COc1ccc([C@@H](C)C(=O)NC2(c3ccc(NC(=O)Cc4ccc(OC)cc4C#N)cc3)CCC2)cc1 1790472121 NXVCQGBRGKVVRO-HXUWFJFHSA-N 497.595 5.056 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sc(C)cc4[nH]3)CCC2)cc1 1790568507 ZTLTUOJVHRFDRJ-MRXNPFEDSA-N 452.580 5.086 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)c1 1790795842 AOHNIDGHNIVYSE-UHFFFAOYSA-N 454.555 5.471 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4c(C)nc5ccc(F)cn45)cc3)CCC2)c1 1790882276 HFUDJFULNZEHSB-UHFFFAOYSA-N 481.531 5.023 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4nn(C)c5ccc(Br)cc45)cc3)CCC2)C1 1790986874 FAPPRCWLHFAERW-UHFFFAOYSA-N 493.405 5.050 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791244096 LVLCPTUUVHEUJM-PWRODBHTSA-N 483.653 5.368 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(F)c(F)c(F)c3)cc2)CCC1 1791504161 SWVNSYZWQYUSLX-ZWIJEDICSA-N 473.495 5.052 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C)nc4C)cc3)CCC2)c1 1791771634 DEENURZLCNUNIR-UHFFFAOYSA-N 466.585 5.259 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn5ccccc45)CCC3)cc2)cc1C#N 1792168784 WLPQEYSUAWHWLT-UHFFFAOYSA-N 493.567 5.055 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)c(Cl)c1 1792378089 VQCAZRJMQYYOEA-VWLOTQADSA-N 469.919 5.705 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc3ncc(Br)cc3c1)C2 1792567893 WARCVAFTOGFRAV-KOUNCHBCSA-N 498.465 5.170 30 20 JKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cccc2ccccc12 1798425140 YBOXFXDUPPJMCI-WTEVXDJOSA-N 491.632 5.010 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3cccc(Cl)c3c1)C2)c1ccccc1 1798557132 YHGRIBFZPBWQLG-UEQSERJNSA-N 486.015 5.337 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccccc3)cc2)c1Cl 1800348605 QJTIGWZRNRVBIP-KOUNCHBCSA-N 485.971 5.570 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cc(Br)ccc3c1)C2 1801639183 UYIDOQAWRZTWHX-RWXMBLCBSA-N 455.396 5.066 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)[C@@H]1c1cccnc1 1802494020 AKNOGDODTUNEJR-JYFHCDHNSA-N 492.639 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1810170907 ADECBIFVBKSJNS-DZRGJMJISA-N 477.008 5.304 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810531469 LQUISZAOADVKTE-ILBGXUMGSA-N 479.690 5.489 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810953965 UGQRNPODFQFGKV-WMZHIEFXSA-N 489.513 5.328 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@H]1c1cccnc1 1812219178 NVEIHKLXXFNMKS-MUAVYFROSA-N 494.595 5.336 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[C@@H]1c1cccnc1 1812591167 BCKDETKVQAMINK-WQHXYCOISA-N 493.611 5.157 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1813226954 WPXMHNWBCSHTFJ-VIZCGCQYSA-N 479.624 5.570 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)[nH]n1 1814825106 PVTYAKSZFVKLHE-QFIPXVFZSA-N 459.550 5.139 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C)oc3C(F)(F)F)n[nH]2)c1 1816470127 PWYNEHFPFSVPKU-IBGZPJMESA-N 485.466 5.130 30 20 JKED Cc1cnc(Cl)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1816622312 CCKHVEFPIYNNEA-HRAATJIYSA-N 476.968 5.013 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3oc4ccccc4c3C)n[nH]2)c1 1818569617 AOWWKHTXRMGWHG-JOCHJYFZSA-N 467.529 5.264 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)[nH]n1 1819555634 QUFPCSCWYVIBCG-HXUWFJFHSA-N 454.619 5.048 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3F)n[nH]2)c(Cl)c1 1820202650 XUELGUZSWHDLLI-JOCHJYFZSA-N 490.926 5.175 30 20 JKED COc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)cc2ccccc2c1Cl 1820238354 ZTDUXMDCHZOBAE-HXUWFJFHSA-N 491.979 5.225 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)n[nH]1 1821006893 MQWMWBCBFQUAIB-GNOCETLISA-N 484.572 5.232 30 20 JKED CC(C)(Cc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821178552 BWVHJQOUHRBKPL-DEOSSOPVSA-N 469.589 5.051 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1821338707 NDXCZHXBVVGTLX-KSRKCLLLSA-N 488.375 5.043 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc4cccc(Cl)c4c3)n[nH]2)cc1 1821564442 IXOKDQVWPCWMDS-DEOSSOPVSA-N 498.974 5.032 30 20 JKED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1cccs1 1822709996 OKPTUHQRZPIZNJ-LIRRHRJNSA-N 467.982 5.106 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C)CCCCC3)[nH]n2)cc1C#N 1823293983 HPMFXQJIIZJEQS-QFIPXVFZSA-N 477.609 5.345 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)cc(C(C)C)c2)[nH]n1 1823421221 RWKBEKVBLCRXTM-FQEVSTJZSA-N 471.399 5.015 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 1823749847 XGSBSLVYZWLRDU-HXUWFJFHSA-N 466.453 5.614 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1824142527 VRPMEXIFXFXNAR-QFIPXVFZSA-N 451.636 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824208271 LOFMDBSQKROIFR-DHIUTWEWSA-N 489.701 5.068 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824806991 OKOKOZIVXJVIOA-DQEYMECFSA-N 482.665 5.025 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1827357354 ZJCDZYLBVXILNY-CLOONOSVSA-N 481.587 5.472 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1Cl 1827410380 ZKGWUGLQUWIGEY-HXUWFJFHSA-N 482.005 5.566 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827773481 RUVZVRPLMWKZAT-FPOVZHCZSA-N 451.533 5.035 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c1Cl 1828256580 JPSWUJPNYAUCEN-QHCPKHFHSA-N 475.976 5.505 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)CC1 1829291012 ZXJDIKOSYOWTFI-XMMPIXPASA-N 463.622 5.567 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1829631131 AYDSXUZBIHHOBV-QMHKHESXSA-N 489.994 5.612 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3)CC2)c1Cl 1829688941 QBNNJAJKHOGZKJ-XMMPIXPASA-N 464.009 5.078 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)c1 1829955226 ZLZYNQKPGHDNGV-VWLOTQADSA-N 476.020 5.177 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)Oc3ccc4ccccc4c3)CC2)C1 1830170241 TYWXZLWXLAWYRR-HHHXNRCGSA-N 474.645 5.583 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)CC1)c1cccs1 1830353732 BKNSGACFPQZUIN-CTHGKDIYSA-N 468.663 5.243 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1830446175 IEWYAXTXDITCKU-AMGIVPHBSA-N 487.644 5.384 30 20 JKED C[C@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CC=CCC1 1830687258 SAAGZFHHTFHKPV-OZXSUGGESA-N 498.465 5.300 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c(Cl)c1 1830721223 DCPWLRTUOGTVNN-HXUWFJFHSA-N 493.913 5.371 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)c(Cl)c1 1830721493 MUFJNXBSOMIZAZ-XMMPIXPASA-N 484.427 5.341 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1 1830766915 UEJPVRVVGQLYOV-RUZDIDTESA-N 481.999 5.135 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)cc1 1830905329 RGEJCGQGDKOLNE-SANMLTNESA-N 469.585 5.171 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1831374402 DHZZMDJCBJJVRZ-MWTRTKDXSA-N 489.994 5.612 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1831447158 YDJFIWNYXPJNSL-QHCPKHFHSA-N 485.550 5.332 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1)C(F)(F)F 1831452049 SGOCPEDRJBDUKW-HXUWFJFHSA-N 456.936 5.011 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1831526112 DXGYSAINJBVCPC-AHUNDJPPSA-N 478.658 5.219 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1831537631 OCPAXJRUAURQPK-UMTXDNHDSA-N 473.617 5.014 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1831589294 BRKNDXDNUBIGGU-RLGOFNAISA-N 485.628 5.269 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1831598348 RMKUFCATRITKQG-ZOGNMOHXSA-N 492.685 5.473 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1831846874 KCRUZVWRVVXONR-AHWVRZQESA-N 457.058 5.503 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1831928243 HNAQVRVFKWEKAN-JUMFHWHPSA-N 498.614 5.255 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCOc3ccc(F)cc3)CC2)c1 1832629455 RAFFYSSOSJELFF-ZBLYBZFDSA-N 491.607 5.155 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634209 PPOXAVAXYCRLES-FIPFOOKPSA-N 471.645 5.407 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CC(c4ccccc4)(C2)C3)CC1 1832986936 DAARPVYRUUPACK-LGAXSRDJSA-N 460.662 5.496 30 20 JKED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(C)cc4)CCCCC3)CC2)CC1 1837073274 VFKMAHGSDQMTNL-UHFFFAOYSA-N 498.733 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)CC1 1838423926 RVQYUIAVCIOJFE-UHFFFAOYSA-N 495.708 5.282 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CC1 1838665742 HUTIZBHHITUVLH-MRXNPFEDSA-N 486.962 5.183 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccccc2Oc2ccccc2)C3)c1 1846829034 YJUMIGXFPJYBOM-OAQYLSRUSA-N 465.553 5.237 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2cc(Cl)ccc2c1=O 9085479 YMOZAVGDRUCHAZ-UHFFFAOYSA-N 470.038 6.214 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)nnc1-c1ccccc1 9448448 WHBRMAHCGPGXDB-UHFFFAOYSA-N 492.029 6.042 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccc(Cl)cc1Cl 9826251 RDRXDYIIZXGPJN-UHFFFAOYSA-N 498.233 5.931 30 20 JKED C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 10662637 KOCKRZWZESSEEL-SFHVURJKSA-N 460.917 5.063 30 20 JKED O=C(C[C@@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccc(SC(F)F)cc1 15231911 VTYONOGHXXAYNL-AWEZNQCLSA-N 475.464 5.268 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)ccc1OCC(=O)Nc1ccccc1Cl 16391885 NUHBNOHTAKOBKL-RIYZIHGNSA-N 464.949 5.328 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 16773842 KSBWRMDKGSVRDN-AWEZNQCLSA-N 452.967 5.156 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nnc1-c1ccc(Cl)cc1Cl 19014613 KNQRMQUPOGQSIE-UHFFFAOYSA-N 490.460 5.255 30 20 JKED CCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 21670134 TXUWAWXGDXLHRC-QGZVFWFLSA-N 484.025 5.445 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nnc1-c1ccccc1OC 22160516 XGSKUJCHEGDHMG-UHFFFAOYSA-N 464.616 5.954 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 23517652 YJMRVWUMZMQUQG-YWZLYKJASA-N 470.982 5.058 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23603411 DTTOJRKBPIFYPS-UHFFFAOYSA-O 476.572 5.839 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 23604605 SMMMZFWPKQPRAW-UHFFFAOYSA-O 468.646 6.123 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(CC)cc3)s2)nnc1-c1ccccc1OC 32326420 AKAYUCNJPXYNRD-UHFFFAOYSA-N 492.630 5.098 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 32559487 YNKCQRZECZUMAM-RFWXGWTQSA-N 478.618 5.115 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc(OC)c1OCc1ccccc1 46667957 NNNRDZNOMDEAEJ-UHFFFAOYSA-N 495.535 5.903 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1cccc(Br)c1 59251721 XYXHQTQGVWECNV-UHFFFAOYSA-N 452.308 5.224 30 20 JKED Cc1ccccc1-c1cc(C(=O)Nc2ccccc2SCCC#N)c2cnn(C(C)C)c2n1 78668498 HMDNWYVYNJKSQI-UHFFFAOYSA-N 455.587 6.246 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 105608867 FOBGLUXTXXRCPW-OAQYLSRUSA-N 482.609 5.181 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c12 303419180 XTZGDCGQXMHTSP-GOSISDBHSA-N 456.377 5.674 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cn(-c3ccc(F)cc3)nc2C)cc1 480400506 BXXOUCQGZZTKLX-UHFFFAOYSA-N 471.492 5.314 30 20 JKED COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481621902 GLEOKIMTVORZNG-UHFFFAOYSA-N 453.901 5.602 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC3CCN(CCc4ccccc4)CC3)cc2F)c1 481631390 XSHYBZCBHGDBIF-UHFFFAOYSA-N 472.564 5.105 30 20 JKED COc1ccc(Sc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)cc1 481736527 CERVWUJHZUUYMU-UHFFFAOYSA-N 472.614 5.458 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 485450554 IYADKBJGPKPASZ-SNVBAGLBSA-N 486.334 5.901 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 485684989 WDWSWHTWZUBVFR-UHFFFAOYSA-N 496.336 5.239 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 489418165 IPXQYCUZCBDGRX-UHFFFAOYSA-N 461.656 5.554 30 20 JKED Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 490090173 PIBBTJLFSDJCQK-UHFFFAOYSA-N 457.599 5.247 30 20 JKED C=CCN(C(=O)c1ccc(CNC(C)=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 498714900 CEDXVUYKVVTZBN-UHFFFAOYSA-N 467.594 5.946 30 20 JKED Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2=O)c1 503358354 YFRDNFRZIDVKHD-QFIPXVFZSA-N 488.931 5.156 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3c(Br)cccc3[nH]2)cc1 509774662 WHIQHQRRXCXRLO-UHFFFAOYSA-N 460.331 5.828 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 510185652 OJKSFYBJJIRGKX-UHFFFAOYSA-N 481.474 5.111 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nc2sc3c(c2c1=O)CCC3 510647720 OIOIRIVAWLLCRC-UHFFFAOYSA-N 465.644 5.051 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3cccc4ccccc34)c2)c1 510648540 VYKHEUULUNMXIL-HHHXNRCGSA-N 460.537 6.333 30 20 JKED CN(Cc1ccccc1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 511238027 BZRUPXHYJHLIHH-UHFFFAOYSA-N 460.622 5.076 30 20 JKED C[C@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511412642 FMHXWQFMJAVXOU-GOSISDBHSA-N 478.390 5.847 30 20 JKED CC(C)N(C)Cc1ccccc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511420105 CCSMSGBEEGNIOR-UHFFFAOYSA-N 456.590 5.494 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 513243968 MTBUHSSZGTWNKB-ZDUSSCGKSA-N 462.905 6.029 30 20 JKED C[C@H]1CN(Cc2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@@H](C)O1 513982604 GCCPPZNYTBJMOG-SZPZYZBQSA-N 486.591 5.541 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1 515540534 ZMHPZVRZNLOAAV-FQEVSTJZSA-N 496.013 5.573 30 20 JKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516058899 YPOZKJDTJJOWRD-VWLOTQADSA-N 467.956 5.746 30 20 JKED COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1N1CCCCC1=O 516396854 NFZUBKJFYJZGNR-UHFFFAOYSA-N 471.582 5.628 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)c1 517511421 KPBUDWCPGAROKR-UHFFFAOYSA-N 465.962 5.556 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2)cc1 519091298 TWDBPJFADNRPEK-QFIPXVFZSA-N 468.538 5.262 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1Cl 519508374 FGRFWACAVMYPTQ-DEOSSOPVSA-N 479.024 5.688 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1F 520912214 YWDLVXIMEBPORX-UHFFFAOYSA-N 461.493 5.292 30 20 JKED C=CCN(C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 520925952 HCMMGNPHAGJEGW-LJQANCHMSA-N 495.612 5.220 30 20 JKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c([N+](=O)[O-])cc1OC(F)F 524461091 IAZMUSNVWRTOPD-UHFFFAOYSA-N 487.390 5.047 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCN3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2C#N)C1 550991439 JUBRFKQQJCHCSQ-OWJWWREXSA-N 497.064 5.174 30 20 JKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 589678679 BVVSKJZWDFXUQO-KBPBESRZSA-N 476.383 5.946 30 20 JKED CCOc1cc(-c2nnc(SCc3cn4ccccc4c3C#N)o2)cc(OCC)c1OCC 589957893 MVVGUPKHACCJKP-UHFFFAOYSA-N 464.547 5.349 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 591611633 WILLBMPDUSRMQD-JOCHJYFZSA-N 451.567 5.733 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccco1 594527999 IAOQSRSZHPYOMU-YDZRNGNQSA-N 493.658 5.882 30 20 JKED C=CCN(C(=O)Cc1csc(-c2ccc(C)o2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603563409 MYKKRQGHUCDDDV-UHFFFAOYSA-N 466.544 5.505 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(Cc4ccccc4)c3)s2)c(C(F)(F)F)c1 603672500 KTVBXWJCYCJURF-UHFFFAOYSA-N 467.476 5.121 30 20 JKED CCN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[C@H](C)c1ccc(C#N)cc1 604440763 PWRXDYQRXANLAZ-CQSZACIVSA-N 474.401 5.664 30 20 JKED Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062796 GSKFJGCOCQKBOA-UHFFFAOYSA-N 464.997 5.831 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 609078800 OTDNCVFMZXESHO-VWLOTQADSA-N 458.562 5.387 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609254994 PYPYPAOGJNGYEE-NRFANRHFSA-N 483.568 5.015 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nccn1-c1ccc(Br)cc1 609370779 XKHJSAKWUKQHIA-HNNXBMFYSA-N 487.448 5.760 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1c(Cl)cccc1Cl 609387512 JQLYWDRDOJBTAP-AWEZNQCLSA-N 455.432 5.996 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 609404227 LIPMECOQAVXRCH-MGPUTAFESA-N 463.525 5.409 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)o1 609407497 LQVPFLUYWXTKGA-UHFFFAOYSA-N 452.495 5.654 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 609421029 DBDMBAOJXMWOIN-UHFFFAOYSA-N 472.932 5.670 30 20 JKED CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(Cl)c1 613403662 HMGNTACAZPXGIU-INIZCTEOSA-N 453.880 5.884 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 615969682 LAOMXTRCNJJCNM-UHFFFAOYSA-N 459.443 5.045 30 20 JKED O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 622604150 XUWGFVWXAUPBDB-OAHLLOKOSA-N 455.301 5.096 30 20 JKED C=CCN(C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)c1nc2c(s1)CCCC2 640163131 ZDXNCWDOBJEYFR-UHFFFAOYSA-N 456.571 5.880 30 20 JKED C=C(C)CN1C(=O)/C(=C/c2cc(Br)c(OC(F)F)c(OCC)c2)SC1=S 725905179 YARDJYKOSMOVDN-QPEQYQDCSA-N 464.353 5.227 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726229027 CONCXKZYDMTESV-QFIPXVFZSA-N 491.389 5.563 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)c1 726395905 NUMSENUNGCVHSD-NRFANRHFSA-N 499.589 5.065 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 726396658 FYFFYKKMWCNACJ-KDOFPFPSSA-N 480.417 5.379 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 726397246 HHLYJJBSZMCCOR-IIBYNOLFSA-N 474.026 5.342 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 726402587 WUKYXZQZMCACNX-MGPUTAFESA-N 459.999 5.034 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)[n+]2ccc(CCC)cc2)c1 726572961 SEIJJCYWXHJJKR-UHFFFAOYSA-O 469.655 6.754 30 20 JKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 726695520 GMLOJJCMSMFSJA-NBGIEHNGSA-N 458.993 5.952 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 727988474 PMOSRCSPXMLULP-UHFFFAOYSA-N 495.491 5.006 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(C)n1-c1ccc(C#N)cc1 728264686 CXEOVMHOJNQTOG-LJQANCHMSA-N 492.505 5.047 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 728422629 JYUGSANOJPPIFQ-OPAMFIHVSA-N 489.988 5.328 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776974 CXBFGRPAYIMBCX-PICPZKJQSA-N 499.618 5.048 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c1 729144592 DUMSSCATPJAODF-HXUWFJFHSA-N 464.616 5.174 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3scnc3C)C2=O)c1 729145092 HSVHEFBQXNITJI-OAQYLSRUSA-N 494.642 5.237 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2ccc(C)cc2)c1 729670744 XTHQRNOVDIVAHM-UHFFFAOYSA-O 471.558 5.380 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 729891023 VQEVKANFWLCOCM-SFTDATJTSA-N 459.546 5.414 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CCC3)C2=O)cc1 730459913 OYBSJWZQDWYCFQ-HXUWFJFHSA-N 489.519 5.421 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCC2)C1=O 730461571 PWJNCIQMXQTYNR-LJQANCHMSA-N 478.401 5.515 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O 730461976 JPGDQHICZOMTLL-NMKIMWHLSA-N 491.535 5.095 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)cc1 730687233 MKVVTBJPTFANDY-UWJYYQICSA-N 458.537 5.283 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 730689341 FYPZLRUUWPNZHT-GFCCVEGCSA-N 499.461 6.753 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730943552 FQVWWOPHVSDDGG-RDPSFJRHSA-N 472.614 5.098 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944061 QOWINQZGTLRDBR-GBXCKJPGSA-N 472.614 5.098 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 731072523 LAOXWOFONOGBAH-KBPBESRZSA-N 467.374 5.194 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)CCc1ccco1 731311065 VTMRURNILUYARZ-MBSDFSHPSA-N 477.586 5.275 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C(\Cl)c2nc(O)c3ccc(C(=O)O)cc3n2)c1 731320377 WRNMZCCLSGZZBE-NHDPSOOVSA-N 457.873 5.221 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccc(F)cc1F 746696797 VCQQMYONCIQFKT-QHCPKHFHSA-N 490.535 5.607 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(OCC#N)c(OC)c1)C(=O)c1ccccc1 747149401 BRMFTLKEMSMRFX-MOHJPFBDSA-N 468.553 5.627 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 749049442 RVWSBBSHAPPZBY-IBGZPJMESA-N 497.942 5.552 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)nc(O)c2C#N)cc1 824940683 ADILQRZUWZDQJN-LLVKDONJSA-N 475.357 5.156 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3ccccn3)C2=O)c1 837834121 AGNIRMNKSDQCKR-FDDCHVKYSA-N 474.586 5.120 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1C1CCCC1 838527059 JRHLHQSZGVYRPS-JOCHJYFZSA-N 451.592 5.215 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(F)cc1F 838573539 MXVCWCGOIFXYRR-KRWDZBQOSA-N 482.350 5.098 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 857665583 JCJUEAGZGCDXIG-HNNXBMFYSA-N 491.400 5.691 30 20 JKED N#Cc1ccc(OCc2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1Br 904490756 YBJJYUINGIFFSW-UHFFFAOYSA-N 486.329 5.348 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(COc3ccccc3F)no2)c1 904732544 QQGGAYHJNNYXTA-UHFFFAOYSA-N 499.951 5.489 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCO[C@H](c3ccc(F)cc3)C2)c1=S 913063604 GUEKYSHKVIVKPV-NRFANRHFSA-N 474.989 5.003 30 20 JKED CCn1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(=O)c2cc(Cl)ccc21 914980172 RZYCVSGAEPUJHD-CQSZACIVSA-N 498.004 5.061 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)n2)cc1 915099824 CIXXYJMLEPAWOJ-HXUWFJFHSA-N 458.543 5.376 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ncnc3sc(-c4ccccc4)cc23)cs1 916311961 JYIFJFDXWPTURD-UHFFFAOYSA-N 470.583 5.945 30 20 JKED Cc1cccc(C)c1NC(=O)CCCOC(=O)c1ccccc1SCc1ccc(C#N)cc1 916591261 CUKDLUFMISZBBB-UHFFFAOYSA-N 458.583 6.043 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 916898915 GKOANYSYOFNIIO-QFIPXVFZSA-N 470.598 5.541 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 916909216 SCJUFBBBVSJWMU-FQEVSTJZSA-N 485.531 5.844 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1OC 916933753 SKYOQGNIKFVAGR-MRXNPFEDSA-N 494.960 5.027 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 916948852 YJHUBFBWRIFZKV-MHECFPHRSA-N 481.552 5.077 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 916950266 SNMSBVQIWXRFPZ-QVKFZJNVSA-N 485.531 6.232 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 916964565 GHLNQFSMFSVOSY-QFIPXVFZSA-N 483.499 5.025 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c(SC(F)F)nc4ccccc43)n2)cc1 916971660 CYBCSRZLISKDQU-HNNXBMFYSA-N 454.527 5.659 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1 917045036 XDQMZWPPUKPAGY-GOSISDBHSA-N 492.482 6.032 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047153 SBKVBOIKZLCNHX-SKDRFNHKSA-N 453.720 5.495 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc2cc(Cl)ccc2s1 917430338 HVEUVNCGDJWLFZ-ZFWWWQNUSA-N 456.930 5.209 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c1C 917670513 ZDPMTXXSAXXJJC-DCLXLUIPSA-N 494.636 5.030 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c1 917670922 DOYPCOMETGPLJZ-CQOQZXRMSA-N 494.636 5.030 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 918034233 KWWFQIYUKJDJDF-NZQKXSOJSA-N 473.964 5.273 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccc(F)cc2)no1 920354393 CJKYJLDTOIKAAP-QHCPKHFHSA-N 488.544 5.436 30 20 JKED O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)c1 920943820 ACYZARKBZANLBJ-UHFFFAOYSA-N 466.302 5.159 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3/Cc4cc(C)ccc4C3=O)cc2OC)cc1 921263657 IGKFLBRHEHWZAY-STZFKDTASA-N 457.526 5.242 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 924644846 RUCPYGRWZRYCQA-JIPXPUAJSA-N 496.563 5.250 30 20 JKED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCCCCCCCCCc3ccccc3)C2)C1 1785485892 YBNAJZOKAMHXLN-MUUNZHRXSA-N 454.655 5.146 30 20 JKED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)c3ccccc3Oc3ccccc3)CCC2)cc1 1785839978 RBQJFDDKHMKRLW-ZCXUNETKSA-N 495.579 5.085 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)c1 1786041039 CCSRYOOUFFBUFH-UHFFFAOYSA-N 492.501 5.353 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786179717 BLACYBJBYJONHC-TYCQWZJGSA-N 469.532 5.003 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5cc(Cl)ccn45)cc3)CCC2)cc1 1788384728 APPCAHFAVMWNOU-UHFFFAOYSA-N 483.959 5.115 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1)c1ccc(O)cc1 1788459832 QQQGIIPPTHNJDJ-OAQYLSRUSA-N 492.579 5.165 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)CCC1 1788834987 OFWGVNVEEZXKHU-MTDXEUNCSA-N 487.629 5.030 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ncccc4C(F)(F)F)cc3)CCC2)ccc1F 1789853822 HUTWWCBFEHQYKA-UHFFFAOYSA-N 496.464 5.102 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ncccc4C(F)(F)F)cc3)CCC2)c1 1789855589 FGKKAVLEIKANIZ-KRWDZBQOSA-N 492.501 5.789 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5ccc(OC)cc45)CCC3)cc2)c1 1790073107 MFBJHMUJKKNING-UHFFFAOYSA-N 494.551 5.118 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3OCc3ccccc3)cc2)CCC1 1790092342 BWUAUHOLIJBPMA-UHFFFAOYSA-N 473.960 5.580 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)C4(C(F)(F)F)CCC4)CCC3)cc2)ccc1F 1790520602 CTBSMSARSOCDGH-UHFFFAOYSA-N 473.470 5.107 30 20 JKED Cn1ccc2cccc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)c21 1790707049 CHCVUANCUHSKIK-UHFFFAOYSA-N 462.553 5.306 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3nc4ccccc4o3)cc2)CCC1 1790849595 RLEIRTJRHDMYFD-OUKQBFOZSA-N 471.538 5.076 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)cc(C(F)(F)F)c1 1792233546 PFSPGFGEZJTIDC-UHFFFAOYSA-N 471.479 5.156 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1 1796503399 KOQYPUOROPTXMI-DVWBAYGPSA-N 471.523 5.231 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccccc3c(Cl)c1OC)C2 1798335686 QYOXYXICCWMLRM-WOZUAGRISA-N 467.009 5.522 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c(Cl)c1 1802712502 VDIBNOXWQCGVCN-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)[C@H]1c1cccnc1 1803089326 NYQZYSFLGMMPRB-KJMYBWGMSA-N 451.655 5.462 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1803090288 ZPZHCLFKKUEBDK-CPJSRVTESA-N 477.008 5.304 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC2CCC(C)(C)CC2)C3)cc1C#N 1803841555 HAFFPWXFCILUIB-BKFWDETESA-N 465.638 5.204 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)C1 1805457044 RLRUTGPZSKDQBC-UHFFFAOYSA-N 454.611 5.654 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc3ccccc3c2)[C@@H]1c1cccnc1 1807893165 UDSKNQGIYXQFPD-VIZCGCQYSA-N 488.591 5.030 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)C1)c1ccccc1 1809162222 LYMFWALKLLORDN-CUNXSJBXSA-N 487.644 5.242 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1809211579 DBSOBAGBPWKHEX-PWUYWRBVSA-N 496.655 5.389 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc(OC(F)(F)F)cc4)C3)CC2)cc1 1809476885 SJGLQULPVRGRLQ-IZZDOVSWSA-N 497.517 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810070925 PHOJTKQPHNPXPP-NBGIEHNGSA-N 477.008 5.304 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)s1 1810273291 CXGJVDLSMAOZBE-HOFKKMOUSA-N 495.765 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)C3)[C@H]1c1cccnc1 1810500562 STPHYQXNROZIJM-VWNXMTODSA-N 475.633 5.107 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)[C@H]2c2cccnc2)c1 1811945297 YBVHBCQKIHATAP-WIRXVTQYSA-N 498.602 5.160 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c(C)cc2OC)[C@H]1c1cccnc1 1812015831 MSMQRPKTVUYHFC-WIOPSUGQSA-N 463.622 5.019 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1813225734 ZEWUOHFGIOLMEQ-HOFKKMOUSA-N 499.577 5.323 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1c1cccnc1)c1ccccc1 1813547702 LLBOWWYYYZITOE-AVDSVQMKSA-N 471.645 5.111 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1813839259 XDISDQMCBOLVDJ-NVQXNPDNSA-N 496.127 5.414 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 1813865747 ILCZUTWUZQHIRN-WMEMMNBJSA-N 478.552 5.088 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)[nH]n1 1814440542 XDCBXPPOCCDKNG-GOSISDBHSA-N 489.016 5.379 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)[nH]n1 1814441579 BPDUGTXNNWFZTJ-HXUWFJFHSA-N 497.043 5.572 30 20 JKED Cc1ccc(F)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1814579196 YWPUKSBBTVCDLK-QHCPKHFHSA-N 489.551 5.136 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)[nH]n1 1814830189 RRPSBLCOOQZPRF-HXUWFJFHSA-N 456.974 5.146 30 20 JKED CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC#N)n[nH]2)cc1 1816746486 HHICOAOCWPAPHJ-XXBNENTESA-N 493.608 5.002 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)n[nH]1 1817677583 BGASDJFNIVZWSB-IVZQSRNASA-N 481.000 5.280 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cc(F)cc(F)c2)n[nH]1 1817765082 AMOPQTMNPRGXGJ-OPAMFIHVSA-N 479.531 5.268 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818117547 XDKGCYFNSMCAAP-XQKMKWSOSA-N 476.602 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)oc3cc(O)ccc23)n[nH]1 1818658061 SMLIQYIAPBHWLJ-OAQYLSRUSA-N 462.550 5.244 30 20 JKED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)sc2C1 1818932039 VNSMEOBNMHEZMP-ZDUSSCGKSA-N 498.477 5.080 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc(Br)ccc3c2)n[nH]1 1818985053 PZCANUYSBVREIS-FQEVSTJZSA-N 494.393 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)[nH]n1 1819552780 BCCQDHQHFLPBEL-HSZRJFAPSA-N 459.594 5.185 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)[nH]n1 1819555725 XWJHPHNGLJRFLO-IBGZPJMESA-N 474.646 5.152 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3Cl)[nH]n2)c1 1820484203 HXHADNWDGDVNIT-FQEVSTJZSA-N 499.905 5.156 30 20 JKED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2C1 1821909360 ZITBSVVTOYYNAB-IBGZPJMESA-N 491.613 5.144 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(F)ccc2Br)[nH]n1 1821917905 BGDOMNBPZPKFFS-QRWLVFNGSA-N 491.405 5.148 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1)C(F)(F)F 1821993489 BNPHVFZEEHCTIN-LJQANCHMSA-N 482.462 5.734 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CC3(CCC3)C2)n[nH]1 1823054513 LBYYBKLTGSDRTQ-OAQYLSRUSA-N 454.691 5.033 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823304147 NXINGQFWTHEHMX-KZULUSFZSA-N 453.345 5.374 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)[nH]c12 1823682681 ACRRXRLAQWPEGL-HHHXNRCGSA-N 482.628 5.214 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccc(F)cc2)CC1 1823968372 FGJCCNSEHMJKCU-XMMPIXPASA-N 458.618 5.207 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 1824145453 HZQMVVBEUIPLTI-HHHXNRCGSA-N 464.650 5.477 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)CC1 1827342181 GQUZMHAIBJCMHM-QHCPKHFHSA-N 464.654 5.282 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)CC1 1827515370 LOXAATNSNDUZIZ-ILBGXUMGSA-N 464.650 5.402 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Br)c4ccccc4c3)CC2)C1 1827533697 OJPPDWGYDAZLBH-RUZDIDTESA-N 495.461 5.802 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)cc2c1 1827682861 PQKSDLOEQWWHQO-GTCGAKFVSA-N 489.641 5.210 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827713156 ATCGNTFJIBSVAQ-VWLOTQADSA-N 475.633 5.652 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1 1827923996 DZFVOZNIMTXOPS-WMZHIEFXSA-N 451.636 5.256 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166058 HBCXKHVZJWZXJG-FPOVZHCZSA-N 489.081 5.361 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)CC2)c1 1828319559 GNWIAOPHGZVPFZ-FQRUVTKNSA-N 468.601 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 1828829909 JYDXUEOHQBISMT-TWJOJJKGSA-N 486.100 5.331 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2CC)CC1)c1ccccc1 1829032981 TXZQTZOVZPOSRO-ILBGXUMGSA-N 477.674 5.136 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(=O)OCC)c2F)CC1 1829648560 WQUBJCXLSRLASH-DEOSSOPVSA-N 484.612 5.004 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2C)CC1 1829653593 YCUPUHCQPUWLNY-OAQYLSRUSA-N 479.846 5.058 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1829707149 CMOWZEFUNFABEE-VWLOTQADSA-N 481.036 5.728 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)CC2)c1Cl 1830098298 RSMYCVHDXXOIEM-QFIPXVFZSA-N 471.935 5.037 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC=C(C)C)CC1 1830257298 MJZBJVUPZCEEBJ-RPWUZVMVSA-N 489.701 5.212 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1830410029 CUUDSGWRDIUHHP-LVXARBLLSA-N 478.637 5.024 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830474942 QTOWYJMVKIPBKN-SSOJOUAXSA-N 499.989 5.792 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1830994984 KTGQNLAXPHIVCS-VWLOTQADSA-N 489.019 5.549 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1)C(F)(F)F 1831019026 JKBQFQBRWSWPRU-NRFANRHFSA-N 479.930 5.240 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1831369877 CTEQNHAXFICCLU-GCJKJVERSA-N 450.545 5.080 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1832027935 AFGCUDNZNLLKLU-XMMPIXPASA-N 463.647 5.237 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1 1832630118 ZLQBIFNIYKWFSX-NIYFSFCBSA-N 496.026 5.582 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1833079197 PRLGZYMDSFDCKY-UHFFFAOYSA-N 494.507 5.479 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)s1 1838806743 OTLKBQSHEZSGAG-NDDJGDGRSA-N 491.657 5.009 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccccc4)c(F)c2)C3)c(Cl)c1 1845488469 ONJNUWAHIXUQOW-UHFFFAOYSA-N 473.935 5.149 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)CC1 1845514046 DQSBZOLVBLVMJD-UAPYVXQJSA-N 461.528 5.001 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)c(F)c1 11248174 SRDWVXRVFRKYKP-UHFFFAOYSA-O 495.521 6.172 30 20 JKED C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1-c1ccc(F)cc1 14081685 CANUVFKCUBGOFR-UHFFFAOYSA-N 452.536 5.415 30 20 JKED Cc1cc(CSc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)on1 16543043 CNDLXBAUPFERGP-INIZCTEOSA-N 495.626 5.661 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 17710956 KUEWHGRIADJFLU-MRXNPFEDSA-N 490.589 6.240 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccccc1OC 21120587 SYNGXMRDGQDTRJ-CYBMUJFWSA-N 496.942 5.931 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)nnc1C1CC1 21143776 IVNSZNSORSMDTG-UHFFFAOYSA-N 452.194 5.686 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccccc2CC)cc1 22727456 PWBCFSCVEYSVHG-UHFFFAOYSA-O 469.533 5.042 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1[N+](=O)[O-] 22730846 WPGZGWOWCGKHDW-UHFFFAOYSA-O 496.612 5.510 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccco1 23201797 RKHWPAZKWKCPKG-LBPRGKRZSA-N 473.530 5.245 30 20 JKED CC(C)n1ncc2c(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc(-c3ccccc3)nc21 25361346 AMQOJHHOZXYAOW-INIZCTEOSA-N 499.596 5.285 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)c1C#N 27737133 GVOHHBMCEWJWFG-OAQYLSRUSA-N 483.645 5.472 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(NCCc3cccs3)s2)c1 28502503 FANNBRKRGRDRBA-QGZVFWFLSA-N 471.677 5.299 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2c(C)cccc2C)c1 28780449 VFSHLIBYKGLLJI-UHFFFAOYSA-O 454.413 5.713 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 30636429 FTIKOSMRNPWYFT-UHFFFAOYSA-N 454.313 5.095 30 20 JKED COc1cc(/C=C/C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)ccc1OCc1c(C)noc1C 97554175 RMILXIHEFIWGHC-CSNYQSHPSA-N 486.355 5.580 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1ccccc1F 195568999 UBUBENUWDGISCE-INIZCTEOSA-N 454.596 5.280 30 20 JKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4C(F)(F)F)c(F)c3)CC2)nc1 195696473 XMEVGUBZAWYXLC-UHFFFAOYSA-N 485.441 5.258 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)nnc1-c1cccnc1 302703019 UOZXUYSAWIXWMV-UHFFFAOYSA-N 476.631 5.333 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)O[C@H](C)C2 409824803 ASBYVAWTQBVBSJ-LUPFDQBXSA-N 482.580 5.796 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc12 491880665 MSMHHTJKUPYPIW-UHFFFAOYSA-N 490.032 5.269 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(OC4CCCCC4)CC3)s2)cc1 498024566 JSBNOQNLMBXZMX-UHFFFAOYSA-N 457.625 5.048 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)c2)cc1 501428265 UQBGYFOVISBIAZ-UHFFFAOYSA-N 471.944 6.211 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(Cl)ccc3Oc3ccc(F)cc3)CC2)c1 501733988 VDMDPOAWIZSYDU-UHFFFAOYSA-N 477.923 5.634 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 503530105 AETSWTXOSMFDGS-GOSISDBHSA-N 467.541 5.841 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1 503592075 XBGOXYSLUTWQMD-SFHVURJKSA-N 459.521 5.022 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1 508278786 LNWRSDHNPIFNQN-UHFFFAOYSA-N 480.515 5.233 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccccc2OC(F)F)cc1 508279396 NDYQHUJQQXRMNE-HNNXBMFYSA-N 453.445 5.843 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 509595086 ZIJXMOKWBHOFMD-UHFFFAOYSA-N 482.334 5.134 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1Cl 510024798 WEBLFICXSQBUNA-JOCHJYFZSA-N 462.937 5.015 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccccc2SC2CCCC2)nn(-c2ccc(F)cc2)c1N 510606890 SIHLMYQOPCPESC-UHFFFAOYSA-N 478.597 5.254 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)nnc1-c1ccc(Cl)cc1 512748406 HZSUNLBVCWCVDK-UHFFFAOYSA-N 492.004 6.011 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515676792 SQRHPIVYFRBHFS-UHFFFAOYSA-N 470.529 5.558 30 20 JKED N#Cc1c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)sc2c1-c1ccccc1CC2 515701469 NDLXLAIFXJUTBF-UHFFFAOYSA-N 454.555 5.382 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1 516312047 GLBBOTQWYMQMEZ-HSZRJFAPSA-N 494.016 5.060 30 20 JKED COc1ccc(Br)c(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 517422146 ZSBBSPOWHHNJIS-UHFFFAOYSA-N 467.388 5.552 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)cc2)c1 517527919 MCPLOGUEMVOIRP-AREMUKBSSA-N 465.484 5.334 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)o1 518115019 AACGUMKVKMYDEQ-VEYWIMSWSA-N 487.987 5.842 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 518563481 DCELJZKMMLZWJW-JOCHJYFZSA-N 467.447 5.407 30 20 JKED COc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 518662766 PJMYTYPBJVYPPI-HNNXBMFYSA-N 497.960 6.553 30 20 JKED COc1cc(OC)c2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)[nH]c2c1OC 518872877 FIFHJXZCICUPLW-LBPRGKRZSA-N 469.469 5.085 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 519402625 SWPOIVIPENADAU-UHFFFAOYSA-N 461.930 5.399 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccccc1 519415753 VSUXMTRBUKVMCF-MSOLQXFVSA-N 465.648 5.899 30 20 JKED CC(C)n1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2ccccc2c1=O 520813928 WRXYGQARKZYRQB-INIZCTEOSA-N 452.605 5.102 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 520843425 UGPAORMJUSNGGS-UHFFFAOYSA-N 484.408 5.843 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cn1 521300821 ROCPOXKPRYJALR-UHFFFAOYSA-N 495.583 5.597 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1cccc(C)c1 521720817 YJORJMJUEGEGLU-KRWDZBQOSA-N 451.621 5.256 30 20 JKED COc1ccc(CCN(Cc2ccccc2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 521748522 VFRINOJFAFZUKU-NRFANRHFSA-N 459.615 6.224 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)cc1 523216336 FKCISDHGXMBMMZ-NRFANRHFSA-N 473.529 5.029 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1ccccc1 524566417 TZOLBNNKWOACHK-VQTJNVASSA-N 475.614 6.409 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3nc(C)cn3c2)nnc1-c1ccc(Cl)cc1Cl 588859658 HMZUBKHNXJNQRL-UHFFFAOYSA-N 473.389 5.125 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(COc4ccc(Cl)cc4)o3)c2C#N)C1 589939934 DXJTZRJUEJZBSR-ZDUSSCGKSA-N 489.022 5.481 30 20 JKED N#C[C@@H](C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nc2cc(C(F)(F)F)ccc2s1 590880734 MTDPRYZEWDWLGM-LBPRGKRZSA-N 473.457 5.657 30 20 JKED N#CCn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc2ccccc21 591862481 QWLQOWUSLMNFJU-MRXNPFEDSA-N 451.338 6.085 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 603872714 FTCTZMFHPUJZNV-UHFFFAOYSA-N 455.942 6.155 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604139397 KFTAUJXFBKSYNU-AFMDSPMNSA-N 470.573 5.711 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F 604364710 LOFBGEBJJUJBGT-UHFFFAOYSA-N 476.552 5.402 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3NS(=O)(=O)c3ccccc3)cc2)cc1 608841593 VTFZCFLLLSELAF-UHFFFAOYSA-N 498.564 5.473 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609054757 FOHMQEPFEJXMBU-UHFFFAOYSA-N 491.853 5.113 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 609078605 CEUVMTFJPHOSMG-UHFFFAOYSA-N 468.557 5.328 30 20 JKED CN(C(=O)c1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1Cl)C1CCCCC1 609097594 BPFINQCQSGACIY-DEOSSOPVSA-N 464.997 5.224 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)Nc1ccc(F)c(C#N)c1 609103224 ARLBXPSDUAFIEF-CYBMUJFWSA-N 464.547 5.335 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c2ccccc2)cc1 609228318 OUCCTAOVWCGLLH-XMMPIXPASA-N 479.502 5.319 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 609436128 GWERESGXTYTZRV-RBUKOAKNSA-N 458.587 6.216 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 609438263 IWJJDIPWGMYSHU-JPYJTQIMSA-N 478.017 5.773 30 20 JKED N#C[C@H](C(=O)c1ccc(Br)s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346705 NTFTVRXZOCPCAY-SNVBAGLBSA-N 458.189 6.431 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccc(Cl)cc2)cs1 726321223 DEHAJQLPPYXVAB-QGZVFWFLSA-N 479.970 5.735 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 726394883 WQUYMPJCXPVJIE-LAUBAEHRSA-N 474.026 5.342 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 726401571 TVYZODSSFLSUBZ-UTKZUKDTSA-N 474.026 5.342 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 726420056 HBHOPEVUKMKWOX-SEGBFMEDSA-N 464.616 5.294 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726420979 NIGAYVVTQJWIIU-HUFVSIPPSA-N 455.527 5.009 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCc3ccccn3)C2=O)c1 726422477 WEWPBNTYXMLAIU-XUQWWMNUSA-N 492.670 5.392 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CNC2(c3ccc(F)cc3)CCCC2)c1=S 727166361 JYLNKSDPVLUVJE-JOCHJYFZSA-N 466.582 5.268 30 20 JKED CCCCCCC[C@H](C)CNC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 727475414 JSJZUXGZCJCDGA-RBUKOAKNSA-N 457.615 5.007 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2Cl)cs1 727649281 FESKDGUSSHRADP-UHFFFAOYSA-N 483.859 5.854 30 20 JKED N#CCOc1cccc(/C=C2/CN(Cc3ccccc3)C/C(=C\c3cccc(OCC#N)c3)C2=O)c1 727744130 CDWZCMJNPGJKQR-WVZLMVLXSA-N 475.548 5.043 30 20 JKED C[C@H]1CN(c2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2C(F)(F)F)C[C@@H](C)O1 727981901 VNSGFCRBKBQQCG-BETUJISGSA-N 468.932 5.653 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCc3nc(-c4ccc(C(F)(F)F)cc4)no3)o2)cc1 728109072 MWVAUYAOBMJQTC-UHFFFAOYSA-N 469.375 5.156 30 20 JKED COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1 728271338 UCJRVFIECXZAEC-UHFFFAOYSA-N 460.534 5.574 30 20 JKED COc1ccc(N2C/C(=C/c3cccnc3Cl)C(=O)/C(=C\c3cccnc3Cl)C2)cc1 728696851 GQAHRFDSDKMAGP-BKHHGCLFSA-N 452.341 5.348 30 20 JKED C[C@@H](CC#N)N(C)Cn1nc(CSc2nc3ccccc3s2)n(-c2ccccc2)c1=S 728902298 NREXHUAIYGAAMX-INIZCTEOSA-N 466.661 5.497 30 20 JKED CC(C)OCCCn1c(SCc2ccc(OCC#N)cc2)nc2cc(Cl)ccc2c1=O 729242145 QAQMCNGQDJNMLU-UHFFFAOYSA-N 457.983 5.060 30 20 JKED C#CC[C@@H](OC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C)c1ccccn1 729797573 AGPDMGBAHBLYLT-LJQANCHMSA-N 489.622 5.519 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1 729889237 LYRMXYLUXXUYMZ-UXHICEINSA-N 455.942 5.034 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cocn3)C2=O)c1 730712469 MGZFXRSQZXMRLZ-QHCPKHFHSA-N 476.602 5.575 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2Oc2cccc(F)c2)cc1 731132039 YMHBACZEVURALV-AREMUKBSSA-N 479.511 5.528 30 20 JKED N#C[C@@H](C(=O)c1sccc1S(=O)(=O)C(F)F)c1nc(-c2ccc(Cl)cc2)cs1 731136637 SASPGLXPCUPOTE-NSHDSACASA-N 458.920 5.011 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)cc1C 731311041 VIRAAUBZDWUEIY-FDDCHVKYSA-N 474.586 5.126 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 731331625 LYOYPLKZHIXZRC-UHFFFAOYSA-N 483.977 5.287 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)cc1F 746698008 RNPLXGMSGADYNY-FQEVSTJZSA-N 475.561 5.049 30 20 JKED CCCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1-c1ccccc1Cl 749048721 NGHCNULEKMGZDM-OAHLLOKOSA-N 489.935 5.149 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 751014127 NQNWWDYGLUUFMZ-UHFFFAOYSA-N 472.614 5.310 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(CC(F)(F)F)C1=O 799214126 GRPQRNQXCAVULY-GOSISDBHSA-N 499.942 5.488 30 20 JKED N#C[C@H](C(=O)CSc1nnc(NCCc2cccs2)s1)c1nc(-c2ccccc2)cs1 806251281 RYJXHKKYEXZBMY-MRXNPFEDSA-N 483.669 5.346 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3cccnc3)C2=O)cc1 837384077 RWPHSTCJAPFJBI-AUSIDOKSSA-N 458.587 5.420 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccc2F)cc1 838040827 LVZFGFLVZFKCCL-HSZRJFAPSA-N 495.551 5.176 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)cc1 915085495 BVQPQUHEMUFEQP-NDEPHWFRSA-N 495.604 5.728 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc1 915087634 WFIKNEGLYBHNHE-RUZDIDTESA-N 492.560 5.155 30 20 JKED N#C[C@H](C(=O)CCCn1c(=O)oc2ccccc21)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102727 FUWDPPQOFGZVNR-JPGHVHQMSA-N 461.587 5.175 30 20 JKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102856 JKPJOHVQNAMJTB-ACJLOTCBSA-N 468.365 5.808 30 20 JKED COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)OC(C)(C)C 915224580 VHHRKHCNCXWMLA-OAHLLOKOSA-N 484.622 5.683 30 20 JKED FC(F)C(F)(F)COCc1cccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 916027356 KCVKKZDWNUWCGI-UHFFFAOYSA-N 456.383 5.811 30 20 JKED COc1ccc(/C=C2/CC/C(=C/c3ccc(OC)c(OC(F)F)c3)C2=O)cc1OC(F)F 916135354 UMPUINQBBKMGNK-VULZFCBJSA-N 452.400 5.737 30 20 JKED O=C(O)C(=O)/C(=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc2ccccc2n1 916138285 DSFYLJFXZVKQEB-QNGOZBTKSA-N 456.885 5.335 30 20 JKED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(Cl)c(Cl)c1Cl 916138622 ZWJSSBKSVRDXDE-TZGMSPROSA-N 468.189 5.061 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CC2)C1=O 916217336 KUJWSSBFCGCJRJ-SFHVURJKSA-N 497.926 5.490 30 20 JKED COc1ccc(/C=C/C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1OC 916844743 AMMMSBBWLPSPOV-ACCUITESSA-N 472.591 6.338 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 916914543 NGWMCYYFSLDBIF-LJQANCHMSA-N 468.966 5.172 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)[C@@H](C#N)c4nc5ccccc5n4C(F)F)nc(O)c23)C1 917041049 OKFGQCIJYUZKHB-GXTWGEPZSA-N 481.528 5.076 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1cnc(-c2ccccc2)nc1 917373526 XSLFEXWYFGTWAQ-AREMUKBSSA-N 478.527 5.550 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H]1CCN2CCC[C@@H]2C1 917659069 VXYAUUGLPCYBHT-TXTKFYIRSA-N 494.636 5.030 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC(F)(F)F)C(C)C)c1 917671683 AEXIQLYPXLIIML-UHFFFAOYSA-N 474.932 5.134 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c(C)c1 917674204 PJPDYFJOGFDVLI-AOHZBQACSA-N 494.636 5.030 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918672778 UOTNTNUGNJDQMT-QBEVBOACSA-N 453.732 5.961 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)NC3CCCCC3)cc12 919667326 UYINFDSANQITTR-SFHVURJKSA-N 489.428 5.533 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1 919904201 ASUBAJQGQLORRK-VWLOTQADSA-N 459.977 5.865 30 20 JKED C=CCOc1ccc(/C=C/C(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1OC 920492762 OPGYNPMRQTZVKG-WEVVVXLNSA-N 461.301 5.373 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(Br)cc45)CCC3)cc2)C1 1785806682 MJPJMFNIJFYBJC-UHFFFAOYSA-N 479.378 5.039 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nc(C(F)(F)F)[nH]c45)CCC3)cc2)C1 1785807495 FPHBABANASOFMW-UHFFFAOYSA-N 468.479 5.296 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3COc4ccccc4O3)cc2)CCC1 1786309244 IYSFJTDONKYSJZ-DHIUTWEWSA-N 460.574 5.119 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ncc3Cl)CCC2)cc1 1786391189 KBKTVXCDONGCAD-GOSISDBHSA-N 496.858 5.200 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cnc1C 1787009867 FBJPZIXBJXQZHG-LJQANCHMSA-N 452.558 5.387 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccccc5n4)cc3)CCC2)c1 1788891976 IWUSEVWHCHMSHR-LJQANCHMSA-N 475.552 5.318 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)no4)cc3)CCC2)cc1 1789782113 LCWKMTWQLDFXSS-UHFFFAOYSA-N 476.536 5.469 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccn5)[nH]n4)cc3)CCC2)c1 1789812012 KRLZBTQUWMYYKF-IBGZPJMESA-N 490.567 5.160 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1790469321 SYUVWFQFJPCKDO-QFIPXVFZSA-N 495.664 5.536 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cc(Cl)cc3Cl)CCC2)cc1 1790511041 JCKRXUMWYKMGGT-UHFFFAOYSA-N 493.362 5.390 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)ccc5F)cc4)CCC3)cc2n1 1790762755 WPSZLHNNEASAPZ-UHFFFAOYSA-N 468.488 5.209 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785314 FBVDNJJKGLEYIC-UHFFFAOYSA-N 485.506 5.308 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nnc(-c5ccccc5)o4)CCC3)cc2)c1 1792124871 NGHMTGUOPNHNII-LJQANCHMSA-N 491.551 5.425 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nn(C)cc5c4)CCC3)cc2)c1 1792126666 KAYFOLCGXIGXRB-IBGZPJMESA-N 477.568 5.262 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ncccc45)cc3)CCC2)cc1 1792290407 RXNOVNGUJHRNDM-UHFFFAOYSA-N 491.595 5.134 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1797905324 QNSBXVRVOXYTCT-BXXSPATCSA-N 489.701 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cccc(Br)c3n1)C2 1798593476 OFIROYBFJHTVHH-REPLKXPHSA-N 484.438 5.242 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C2 1798594403 FJLPEFUTDCUHIL-PVIWCNJMSA-N 473.455 5.183 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(-c3ccccc3)cc12 1799134421 ZLARHOOVQALTKV-BKFWDETESA-N 468.601 5.250 30 20 JKED O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800502941 CGICGPCABMHDLA-JPHGTZNFSA-N 466.625 5.165 30 20 JKED Cc1ccc(S/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)cc1 1800740763 IYLDHTLWSBQCQM-STZWWLEUSA-N 499.558 5.443 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@@H]1c1cccnc1 1802501124 HLIAXSWOBJZVLS-JBGVHOKCSA-N 485.550 5.211 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1803092099 IVGBMMINTUBDMU-XXBNENTESA-N 489.513 5.328 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(NC(C)=O)ccc3Cl)CC2)C1 1804868785 PMWIHYAJRABKLW-UHFFFAOYSA-N 474.045 5.136 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(OCCCC(F)(F)F)cc3)CC2)C1 1806678507 DWVJZMNJHWFPIT-UHFFFAOYSA-N 498.611 5.172 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807837678 XDYUBPHPLXJWRG-IWVFXYMLSA-N 494.639 5.540 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(C)C)nn3ccccc23)[C@H]1c1cccnc1 1807920478 KIECMNXSQLAEOI-BKMJKUGQSA-N 487.648 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810112156 YQZSUKPYIZZDQH-SYYKKAFVSA-N 471.692 5.322 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2sccc2Cl)[C@H]1c1cccnc1 1810271840 IZRCWDFGYVURDT-UGKGYDQZSA-N 488.129 5.167 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2F)[C@@H]1c1cccnc1 1810492247 LDJAPJYXDDUSIL-KZJNQIRTSA-N 467.560 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1810503650 UJWQVJZSHVEVQL-ZEQKJWHPSA-N 493.623 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810603210 DZVRBZTVQSHSGD-VGSWGCGISA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811853606 INTSJPUQTSSZPD-FYYLOGMGSA-N 471.523 5.188 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1811998547 QTHSQKSQKJDKQO-CYFREDJKSA-N 472.416 5.210 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@@H]1c1cccnc1 1812589687 BNBNYZPPBGAJTI-FBIATWESSA-N 482.584 5.355 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)[nH]n1 1814439999 IYBHMXYBMPOBJW-HXUWFJFHSA-N 489.661 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)n[nH]1 1814533315 MUMVRYFWRHYOML-FQEVSTJZSA-N 489.661 5.040 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1815246464 LSBQSOHWRZRGLC-SJLPKXTDSA-N 488.963 5.342 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1)c1ccc(O)cc1 1815985146 VGUHKBNGIGCEOF-LSTWCFQCSA-N 488.613 5.080 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3sccc3s1)CC2 1817288621 IEOUSIYGTFJNPA-FYJFLYSWSA-N 499.664 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)[nH]n1 1819553691 RTFOVXLEMXNONE-QGZVFWFLSA-N 466.504 5.628 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn3cc(Cl)ccc3n2)[nH]n1 1819554582 JOEWKMDSSVYEOB-IBGZPJMESA-N 468.989 5.009 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)[nH]n2)c1Cl 1820219370 QJUBBNXREPXLIW-VGSWGCGISA-N 493.917 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820231933 ZGRNOBNQJDTOJA-DYESRHJHSA-N 466.969 5.884 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c(Cl)c1 1821277249 QAZQAOAOMNJSPM-RSNBEDGSSA-N 465.985 5.377 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1822580848 AWWKYXJIINOZIZ-HSZRJFAPSA-N 499.640 6.119 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)[nH]n1 1822583841 SKLZGHCFZYEHJM-FFXXTYGZSA-N 483.410 5.071 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)c2c1 1823210453 DIYOKUMSFKMWEQ-SIBVEZHUSA-N 494.599 5.375 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)[nH]n2)c1 1823214744 JSHIXXKLKVQQNV-LKRKWDOBSA-N 497.624 5.231 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)[nH]n3)c[nH]c2c1 1823564966 CUSQHDGLIPRJLO-HJKZNEBBSA-N 496.546 5.230 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3Cl)CC2)C1 1823702353 LVBDIMPXDDULNG-NRFANRHFSA-N 466.956 5.141 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1824539247 MVBIGQIOJPEWOW-NOZRDPDXSA-N 483.653 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)nc3F)CC2)c1 1825376908 QVPNAKACKMGILD-VGSWGCGISA-N 482.987 5.048 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825423894 BQZQHVBTSDLXDE-QFQXNSOFSA-N 478.637 5.024 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)CC1 1826683508 JIWKWXGJFRAXDI-ZJSXRUAMSA-N 493.051 5.165 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1827793248 IUVXNHQWDXQGGZ-HHHXNRCGSA-N 478.596 5.167 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)cc1 1828295032 JELPUCIBWJWTKY-SANMLTNESA-N 489.019 5.434 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c(F)ccc(F)c2F)CC1 1828822093 WPPRKNMWUDLOBN-AUSIDOKSSA-N 462.556 5.035 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828828444 KKQSCBQMFQGXGJ-BWKNWUBXSA-N 468.041 5.823 30 20 JKED COc1cc(F)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828907772 IPRAKNRSRYEBJJ-DEOSSOPVSA-N 486.704 5.119 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1829454078 DFWYBGMYUNBIIG-FQEVSTJZSA-N 490.456 5.668 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)c1 1830116197 GLSDNOMDLZELJI-AREMUKBSSA-N 482.741 5.288 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)CC1 1830375163 XOZUBXUHYYTIIQ-HHHXNRCGSA-N 496.692 5.415 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1830606967 WEFHOGLXJIPOSM-YKSBVNFPSA-N 483.653 5.479 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)c1 1830678931 CYLKHEONCHWCBK-LYZGTLIUSA-N 495.627 5.251 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720914 MXCUPLHFFGRVBL-NRFANRHFSA-N 486.037 5.219 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755736 OGXIXBDVMMKASY-HTAPYJJXSA-N 461.528 5.023 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c(F)cc2OC)CC1 1831374119 LKZSTFDEEMAXPY-KKSFZXQISA-N 495.433 5.042 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1831446024 RRWMTTWLXMPOGB-FQEVSTJZSA-N 477.983 5.574 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1)c1ccc(O)cc1 1831925756 JAOWNGRLCXSIFK-AOYPEHQESA-N 482.640 5.181 30 20 JKED COc1ccc(F)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832597673 LMDFGMNFLBFTRO-DEOSSOPVSA-N 486.704 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)CC2)c1 1832631316 CJJTXKXMKPGQOR-KPGYKUMBSA-N 498.627 5.065 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)c1 1832633431 HRMQXCPZJNJAIM-WWAFRDAFSA-N 469.629 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1832679515 WFMGEWUPNSGQJP-DEOSSOPVSA-N 462.638 5.302 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)CC1 1838422897 SHWQMJYGHUTKQL-UHFFFAOYSA-N 489.660 5.353 30 20 JKED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccccc2CSc2ccccc2)C3)cc1 1845412759 WJEBYJDBMVNYOL-UHFFFAOYSA-N 481.621 5.176 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845547025 ZLGCYIHHWUWEAL-SANMLTNESA-N 484.596 5.022 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\c3ccc(OCc4ccccc4)cc3)NC2=O)c1 15231837 OKLZVOXJVHHAOC-QHCPKHFHSA-N 459.571 5.130 30 20 JKED C[C@@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccccc1C#N 21606149 SYMHUXKGAFTYDQ-CQSZACIVSA-N 465.849 5.096 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccc(C)c1 22010918 NUBGXZWEKGQFCJ-CQSZACIVSA-N 457.943 5.120 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)NCCc2ccccc2)cc1 22790938 YGKXOLLEHFWKEN-UHFFFAOYSA-O 451.681 6.019 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCC2 23210608 PUXFSGSIPWOXRL-CQSZACIVSA-N 490.585 5.066 30 20 JKED CC(C)c1ccccc1-n1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1cccnc1 23516521 RCLKRYJAPYTEFQ-UHFFFAOYSA-N 474.634 5.230 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C(C)C)cc1 23585787 RNBCCRQCVBXQPP-QGZVFWFLSA-N 469.010 5.367 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 23603231 GTEYCGCNLUYKEE-UHFFFAOYSA-O 462.426 5.343 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccc(OC)cc1 23998165 ZKXTWOOAJSSZOX-OALUTQOASA-N 472.614 5.651 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nc2cc(-c3ccccc3)sc2c1=O 24267965 SANCRKPBEGAXHO-UHFFFAOYSA-N 475.595 5.244 30 20 JKED O=[N+]([O-])c1cc(/C(O)=N/c2nnc(C(F)(F)F)s2)ccc1NCc1ccccc1Cl 29283075 HCDMEGSINHFXTM-UHFFFAOYSA-N 457.821 5.367 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nc2ccccc21 59799129 REZJZNMUWHXUKX-UHFFFAOYSA-N 456.571 5.432 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1F 195569736 PSHYGFCZGLJURO-CYBMUJFWSA-N 465.381 5.547 30 20 JKED CC(=O)Nc1ccc(/C=C2\CN(C3CCCCC3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 208956569 RXLWJTILWJQDOD-MUPYBJATSA-N 471.601 5.288 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)CC1 303159165 PCLUBDCHSNPCCP-UHFFFAOYSA-N 486.959 5.659 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 303303425 DCHTVRIKOUKOTE-HXUWFJFHSA-N 474.369 5.097 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(CCc3ccccc3)CC2)cc1Cl 410313520 QUNFWSHAYAGWHO-AREMUKBSSA-N 473.020 5.824 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NCC(F)(F)F)s2)n(C2CCCCC2)c1C 488931299 CPVQUNAJMQOQFW-UHFFFAOYSA-N 472.562 5.038 30 20 JKED N#Cc1c(NC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)sc2c1-c1ccccc1CC2 490745443 MHIACFDSPZMMEI-HXUWFJFHSA-N 485.609 5.032 30 20 JKED CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Cl)c(Cl)c1 498374094 DNQFVVBDKKVUJA-HXUWFJFHSA-N 453.391 5.342 30 20 JKED COc1ccccc1CN(C(=O)CCc1c(C)nc(O)c(C#N)c1C)c1cc(Cl)cc(Cl)c1 499492768 DGPCKIAXLZKQOR-UHFFFAOYSA-N 484.383 5.757 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(C4CC4)n(-c4ccccc4Cl)n3)n2)cc1 501313878 RJPHVENOOVUIQH-KRWDZBQOSA-N 470.945 5.283 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1Cl 501783956 GVCNMSCXMYFSKZ-ZCYQVOJMSA-N 472.976 5.481 30 20 JKED N#Cc1cc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)ccc1Cl 503089623 YOXIGPHNQNVMAC-UHFFFAOYSA-N 460.630 5.370 30 20 JKED COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc(OC)c1OC 505094959 WISHPYMTLAFSLK-CAPFRKAQSA-N 485.584 5.561 30 20 JKED CCC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nnc2ccccn12 506315721 KWBQDMQOJFXVIX-QHCPKHFHSA-N 454.534 5.037 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 508549843 GQWWBLHJVJNAGY-GOSISDBHSA-N 450.608 5.180 30 20 JKED C=CCn1c(SC[C@H](O)COc2cccc(C(C)=O)c2)nc2cc(-c3ccccc3)sc2c1=O 508565837 URNVFKCQJDVSFZ-HXUWFJFHSA-N 492.622 5.046 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2nccs2)cc1Cl 509592598 OZDYZJAMHJSHCN-FYYLOGMGSA-N 458.974 6.363 30 20 JKED COc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 511447559 YHIJHWANDGGFQX-CQSZACIVSA-N 466.900 5.494 30 20 JKED C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc(O)c5c6c(sc5n4)CCCC6)cc3c2C1 513676456 FUAHURMQCTYSLG-ACJLOTCBSA-N 456.571 5.372 30 20 JKED CCN(CC)Cc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 514018679 VUVJTCXKLAUYBE-UHFFFAOYSA-N 458.581 5.451 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3ccccc3)CC2)cc1Cl 516403947 QRRDNYKHMPYEAL-XMMPIXPASA-N 457.961 5.340 30 20 JKED CCOc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccccc2)cc1 516738357 ATYSRVBQBROSLX-NDEPHWFRSA-N 491.547 5.594 30 20 JKED Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)sc2nc3n(c(=O)c12)CCCCC3 519515632 OREXQFYCMFZPIV-CQSZACIVSA-N 452.605 5.139 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 521559157 SVMUVQHUYQKVPE-QHCPKHFHSA-N 474.948 5.385 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c12 522498072 WPDGZRUMDUZOIW-KRWDZBQOSA-N 499.527 5.417 30 20 JKED CC(C)(C)OCc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 549346890 FRUKFFDBWLSVME-UHFFFAOYSA-N 459.565 5.924 30 20 JKED O=C(Nc1c(F)cccc1F)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 589283499 KYSWQBAACSJYGQ-UHFFFAOYSA-N 475.339 5.929 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 590325756 XQGXNABKNZCYEU-UHFFFAOYSA-N 483.568 5.581 30 20 JKED COCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 591862568 WEYYVMMKKNPFTL-LJQANCHMSA-N 478.961 5.164 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603573262 YZDXNSZJPBTSNZ-NXEZZACHSA-N 498.367 5.731 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(F)F 603828981 BHAVHMNBVKKZMF-FQEVSTJZSA-N 485.918 6.269 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CC1 604452910 JCNWAEXIIJOYRA-UHFFFAOYSA-N 483.355 5.485 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 608841651 SJJMFJGKNBBFMY-FQEVSTJZSA-N 483.503 5.951 30 20 JKED Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1OCC(F)F 608855880 WGPSEPWWQZVJPD-UHFFFAOYSA-N 481.524 5.494 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 609061932 LAQRJLSKRURDGF-VWLOTQADSA-N 475.976 5.492 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609064079 IFNAQHMLRGSZBS-XMMPIXPASA-N 461.949 5.184 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(COc2ccccc2)CC1 609078763 MXABDOGFOOHFGH-UHFFFAOYSA-N 455.558 5.769 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 609078897 CEFAVDVZBRMQCA-QFIPXVFZSA-N 458.537 5.233 30 20 JKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)c1 609079973 MVAQFSUVROXPGG-UHFFFAOYSA-N 476.964 5.476 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)C(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)c[nH]c2c1 609437497 BNXVSTNDUSRYEU-GOSISDBHSA-N 458.587 5.125 30 20 JKED O=C(c1cc(F)ccc1F)C1CCN(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 612804238 GIYADHFDDCUKAW-STQMWFEESA-N 486.403 5.479 30 20 JKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 613403512 HBEXAFLZWPXYSD-GOSISDBHSA-N 494.295 5.915 30 20 JKED Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1cccc(C(F)(F)F)c1 618301983 ZTZFDSSFWFJNKV-BETUJISGSA-N 473.339 5.402 30 20 JKED C=CCOc1c(Br)cc(CNC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1OCC 620120430 GDCMBMIKHMWGFT-NZQKXSOJSA-N 460.412 5.670 30 20 JKED O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642507046 UXMKMFFNRIQGKG-GHMZBOCLSA-N 479.343 5.010 30 20 JKED CCOCCCn1c(NN=C(C)c2ccc(N3CCCCCC3)cc2)nc2ccccc2c1=O 725844550 VCVFBJDLTFBMQW-UHFFFAOYSA-N 461.610 5.040 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2cccs2)C1=O 726109094 NNHPSEDTOXNSFX-RTGZZVAKSA-N 499.061 5.176 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726319794 NSZZBEQAVLAFIM-IWAAJCSBSA-N 459.590 5.133 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 726321671 LZKBFTZRBYIZRH-VZVVIUGGSA-N 479.690 5.652 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc2cc(Cl)ccc2s1 726322810 OBBHFXMPUWNHFV-NKELODKYSA-N 458.027 5.771 30 20 JKED Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1-c1ccccc1Br 726322887 ZPIQQXFKXXXQSS-QGZVFWFLSA-N 462.372 6.068 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2ccc(CC)cc2)c1 726573146 NJFOHPVQOUQDKN-UHFFFAOYSA-O 473.621 6.412 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@H](C)c2cccs2)cc1 726576497 FBRKLZUVPZRGCD-GOSISDBHSA-O 466.652 5.312 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 726941599 GIDOSOKGMZSCPR-UHFFFAOYSA-N 455.602 5.388 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c(F)cccc1F 727626589 DECMYEPMJXQCLT-QAPCUYQASA-N 459.905 5.185 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)cc2)c1 728006134 GLJCPXAAXUJJEX-UHFFFAOYSA-N 459.893 5.038 30 20 JKED CC(C)(C)C(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)C1 729069264 DUHVQAMVJWHVRC-KBWYRYLDSA-N 453.652 5.072 30 20 JKED N#C[C@H](C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 730920590 PFOJZPPYZVHRPX-QZTJIDSGSA-N 499.379 5.198 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1F 730942019 ALKBIRJCZPYREW-YCRPNKLZSA-N 466.513 5.081 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730943898 MTWWXWFKTUJHQA-WMZHIEFXSA-N 458.587 5.420 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 731028005 FADDHIBOIHZYKT-SNVBAGLBSA-N 463.217 6.603 30 20 JKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731072524 LAOXWOFONOGBAH-KGLIPLIRSA-N 467.374 5.194 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc3ccccc3c3cccnc23)nc1C 731225202 RLFQMZDSUUFQAK-UHFFFAOYSA-N 458.572 5.138 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2C(F)(F)F)C1=O)Nc1cccc(O)c1 731307067 PCBWWQLPYUYNHG-NRFANRHFSA-N 499.514 5.572 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2CCN(CC3CCCCC3)CC2)cc1Cl 744920359 NVJWJIJBOKYVIX-VWLOTQADSA-N 493.051 5.095 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(CC)Cc2ccccc2Br)c1=S 746028184 GIUYIIYZSMEUAQ-UHFFFAOYSA-N 473.440 5.518 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 746693771 AECYQJVLIYQHDN-DEOSSOPVSA-N 493.604 5.756 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 746697912 PRPDARXTWQDBMC-FQEVSTJZSA-N 477.989 5.256 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cscn3)C2=O)c1 747602884 POHDAHDRWKEVKW-JOCHJYFZSA-N 494.642 5.436 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 749651987 YMLGVZHHFDTYRH-BVAGGSTKSA-N 489.616 5.389 30 20 JKED CC(C)Oc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)cc1 749655089 PQOMISALWRMASM-UHFFFAOYSA-O 472.634 6.254 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1-c1ccccc1 750911429 QIQJUWQTFYKEHY-HOYKHHGWSA-N 470.598 5.110 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(F)c1 799223088 MHXBILMXRNCGGY-INIZCTEOSA-N 454.354 5.421 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 837300928 LWOBGHWBIIMXES-VFNWGFHPSA-N 466.513 5.081 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccc(Cl)cc1 855475577 QGDDBJRVSWEORD-QGZVFWFLSA-N 468.026 5.504 30 20 JKED C=CCn1c(SCc2nc(CCC(F)(F)F)no2)nnc1-c1ccc(Cl)cc1Cl 904868906 QTORQFVHWXSEBH-UHFFFAOYSA-N 464.300 5.608 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OCc1ccncc1 914695148 HCQKWPIKOSRUBC-UHFFFAOYSA-N 486.384 5.309 30 20 JKED COc1ccc(-c2nc(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)cs2)cc1OC 914886888 QOCRRZFGZLQOOV-UHFFFAOYSA-N 484.577 5.884 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1 915199425 AZQADUGJHDYVPH-CVDCTZTESA-N 474.358 5.096 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccc(OCc2ccccc2C#N)cc1 915512210 PAABHSPBFICURO-LJQANCHMSA-N 456.542 5.446 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c2ccccc12 915958369 AJVHRNGEZIKJKL-UHFFFAOYSA-N 459.358 5.497 30 20 JKED CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=S)Nc1ccccc1C#N 915999030 QDTPKXAFIMLMLE-UHFFFAOYSA-N 451.529 5.001 30 20 JKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(O)c(CN2CCOCC2)c1 916130610 YPVOHZYLEXYONH-ONNFQVAWSA-N 476.960 5.026 30 20 JKED COc1ccc(OC)c(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)c1 916137790 XZWWTOSKGIAMEQ-FLIBITNWSA-N 481.932 5.279 30 20 JKED CCOc1ccc(N2C(=S)N[C@H](c3ccc(C#N)cc3)C(C(=O)Nc3ccc(F)cc3)=C2C)cc1 916170739 SVWYPIDFVSZWRW-RUZDIDTESA-N 486.572 5.445 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C(C)C)cc1 916206088 LZJXIVFEHWMRIC-JOCHJYFZSA-N 453.608 5.034 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccc(F)cc2)c1 916209657 PVWIBKVKKZSGAJ-HSZRJFAPSA-N 493.560 5.003 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 916212464 NFUKMWBAVKFGDZ-FQEVSTJZSA-N 468.941 5.035 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)o2)cc1 916883734 OEBDBHMDHZAGJR-GOSISDBHSA-N 454.454 5.425 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1NC(=O)c1ccccc1 916888470 VXBNIACPJJCMGX-HXUWFJFHSA-N 479.508 5.523 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916905749 PFYAALYXAAZWKX-OAQYLSRUSA-N 496.548 5.078 30 20 JKED Cc1nn(CC(C)C)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995022 ANIHEGOSDGQXTR-SFHVURJKSA-N 461.418 6.005 30 20 JKED COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1c(C)noc1C 917024941 DCDGFWIDBORRDR-ZUURVNMSSA-N 485.565 5.892 30 20 JKED C[C@H](c1ccccc1)n1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccccc1 917254666 VLSSKWXZANBXEF-LJQANCHMSA-N 478.581 5.080 30 20 JKED C[C@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 917262095 JABJMTJCILKZAM-LBPRGKRZSA-N 456.873 5.034 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 917680100 BZJGCPOURDEBCI-UZUQRXQVSA-N 491.592 5.008 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)cc1 917683843 CRQCFHIDHVAPRY-FQEVSTJZSA-N 469.563 5.056 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N1C1CC1 917704062 RLFJUENFLDVNEN-SFHVURJKSA-N 493.803 5.641 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(C)nc3cc(Br)ccc23)cc1 919522185 OGHFEQZCRKGUKA-QGZVFWFLSA-N 480.362 5.106 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(CC)cc3)N(Cc3cc(C)on3)C2=O)cc1 920354723 FNESIKMLQPKQLQ-QHCPKHFHSA-N 492.601 5.105 30 20 JKED Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)Nc1ccc2ccccc2c1 920486510 MDPZIOLCKZXERV-UHFFFAOYSA-O 498.628 5.871 30 20 JKED Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)cc1C 920783048 KEZVCULMSSWFAS-CZSVHLHGSA-N 482.650 5.265 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c1 921252980 LMRNALMRPMSTMR-HNAYVOBHSA-N 497.514 5.062 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1786678015 FJRMXAHJQAKULW-UHFFFAOYSA-N 485.609 6.095 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cnc4c(F)c(F)ccc4c3)CCC2)cc1 1786679182 MEGDEJQNAXAORF-UHFFFAOYSA-N 467.541 5.180 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)CCC4CCCC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1787619167 HKBAVHIYCPIITA-DEOSSOPVSA-N 495.664 5.657 30 20 JKED CC1(C)CCc2cccc(C(=O)Nc3ccc(C4(NC(=O)/C=N/N5CCCCC5)CCC4)cc3)c2O1 1788496810 WSBMGQSWSLWZNI-TWKHWXDSSA-N 488.632 5.010 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C4CC4)on3)CCC2)cc1 1789507720 OYYYPTQVXWZXRS-UHFFFAOYSA-N 463.654 5.351 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)N4CSCSC4)cc3)CCC2)c1 1789580840 BESVBQCRYXRTBK-RTBURBONSA-N 494.686 5.104 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ncc(C(F)(F)F)cc4Cl)cc3)CCC2)C1 1789869217 VFUHCSKNIWBOHQ-UHFFFAOYSA-N 463.887 5.468 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)cc2)CCC1 1790034959 SKDMVYDEBWQANF-UHFFFAOYSA-N 461.565 5.767 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3C)CCC2)cc1 1790508897 DFGYZXYWDJRIAA-UHFFFAOYSA-N 497.595 5.314 30 20 JKED CCOc1ccccc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790521363 ZMMDYXVHPQZLEW-UHFFFAOYSA-N 471.532 5.086 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccc(C(F)(F)F)c4F)cc3)CCC2)CCC1 1790651585 NNZUEVHISRPOFF-UHFFFAOYSA-N 459.443 5.286 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)[nH]c2c1 1790707968 ZSUDRBHEWGOWEU-UHFFFAOYSA-N 478.552 5.304 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4C4CC4)CCC3)cc2)cc(C(F)(F)F)c1 1790785351 JAMQEWNYIBAHRB-FCHUYYIVSA-N 467.491 5.371 30 20 JKED Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)ccc2[nH]1 1790988521 HDZKUPUSAORPSU-UHFFFAOYSA-N 462.553 5.604 30 20 JKED C#CC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccc(Cl)cc3)CCC2)cc1 1791211889 NTEZZVJNNNXAKB-JOCHJYFZSA-N 496.007 5.063 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cnc4[nH]ccc4c3)cc2)CCC1 1791487276 HHODSHIFPJHKRF-DEOSSOPVSA-N 456.590 5.398 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccoc5c4)CCC3)cc2)c1 1792123464 CPINUTZKJSGTFC-GOSISDBHSA-N 464.525 5.516 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ncc[nH]4)cc3)cc2)CCC1 1792153694 APRRDMDEXDSXNO-XMMPIXPASA-N 454.574 5.593 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(OC)cc1)C2 1792571888 MXHJUFWYRFUPEA-KOUNCHBCSA-N 461.606 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccc(Br)cc3n1)C2 1793053092 SNSQSAUEXZXOEE-WKCHPHFGSA-N 482.422 5.018 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3(C#N)CC3)cc2)cc1 1795848508 SUPNZIKMDLJSEB-OOSCYNTBSA-N 455.602 5.252 30 20 JKED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800811086 MVQKTUNOLRRTPP-RJESQKRESA-N 488.653 5.838 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccc(Br)cc2c1C 1801205603 HRRDYJCPDCZCIF-IYWMVGAKSA-N 484.438 5.259 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Br)cc2)CCC1 1802465486 WJWSBOJBIJWQTM-BJESRGMDSA-N 485.466 5.277 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1803077488 LZHRYSYFGPSHSJ-URXFXBBRSA-N 474.630 5.088 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803089551 CCJLHDPQKVFVFG-URXFXBBRSA-N 496.533 5.060 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1803562090 TXIAVJAPNIBWEX-YZNIXAGQSA-N 497.639 5.359 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccsc2)[C@@H]1c1cccnc1)c1ccccc1 1804667004 BAGHXKCZAFIXDQ-TYNBYQPNSA-N 483.637 5.060 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](F)c5cccc(F)c5)c4)CC3)C2)C1 1804787236 RRAQRWYWUAALAQ-SANMLTNESA-N 478.583 5.696 30 20 JKED N#CCCC(=O)N1CCC2(CCCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)CC1 1805627160 UVZOAFCBZJWIKK-UHFFFAOYSA-N 456.030 5.149 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1805680375 ZYYVQGZYRGSJDK-RCZVLFRGSA-N 463.622 5.369 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc(C(C)(C)C)oc3C)[C@@H]2c2cccnc2)c1 1805685378 YCYDWKHFQVTUPO-GJZUVCINSA-N 484.600 5.094 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C2(c3ccccc3)CC2)[C@@H]1c1cccnc1)c1ccccc1 1810441537 RUUAVLCCHQQFSQ-XNFLFYSQSA-N 491.635 5.016 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccnc1)c1ccccc1 1810444784 UIDHBQTZTISHBC-UNCTUWKVSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1810492282 MFIZJZNBSAAZRR-LEAFIULHSA-N 484.644 5.261 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1810500889 ZEEZSWXHOSDHEL-ILBGXUMGSA-N 486.616 5.357 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1810502663 KWRQJWOSUSRKQY-PXDATVDWSA-N 481.612 5.320 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1811164067 VQEGKBLKQQRARK-IGKIAQTJSA-N 482.628 5.456 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@@H]1c1cccnc1 1812806482 ZFGZDWVQROZTNL-LPKBNIHUSA-N 495.689 5.585 30 20 JKED CC1(C)CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)[C@H]2c2cccnc2)C1 1813128628 IRASZJLCKBMPBM-YTMVLYRLSA-N 491.635 5.237 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(Br)c2)[C@H]1c1cccnc1 1813980202 JFHCTEVVRNXMAA-LUQKVYGDSA-N 490.829 5.029 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccccc4)on3)n[nH]2)c1 1814364454 OLBUSGNALVKEMB-UUOWRZLLSA-N 494.555 5.311 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)cc1 1814376790 SVNSTQNPAZDOLT-UIEBTNPYSA-N 492.583 5.101 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)[nH]n1 1814828977 IDPOERSUMIUMSP-OAQYLSRUSA-N 476.606 5.003 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)[nH]n1 1815657037 VEBZHCPNHFUPCW-WNCULLNHSA-N 492.645 5.036 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1817097398 AHQYPGOTUIZAPY-OAHLLOKOSA-N 480.384 5.216 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3CSc3ccccc3)[nH]n2)CC1 1817112087 WBWSGUXVSPMJTN-HSZRJFAPSA-N 485.613 5.312 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CCCCC3)[nH]n2)CC1 1817112878 DYIMXIGZWPPDER-OAQYLSRUSA-N 480.012 5.261 30 20 JKED CC(C)=NO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 1818286250 CLZKRANNLHGFEH-CHWSQXEVSA-N 491.038 5.038 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1818291517 QHUCEAVXYSPCQK-VBKZILBWSA-N 499.493 5.577 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)ccc2n1 1818672469 PMCRKKDSOOFLSN-AREMUKBSSA-N 492.583 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)[nH]n1 1819553690 RTFOVXLEMXNONE-KRWDZBQOSA-N 466.504 5.628 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)[nH]n1 1819555976 NCGNIKARZKEQGE-KNQAVFIVSA-N 452.599 5.252 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]n2)cc1 1820547205 NQFFBNHPNHGFBR-XMMPIXPASA-N 467.573 5.099 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1Cl 1820548660 KFTQJEBCQXYSRP-OAQYLSRUSA-N 495.942 5.092 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1)C(F)(F)F 1821993762 LVQVPYJAQNSJTO-SFHVURJKSA-N 477.874 5.036 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823214485 FTYLURASHQOWIC-NTKDMRAZSA-N 487.629 5.443 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)cc2s1 1823685133 LNDHJYQSFPEHDH-RUZDIDTESA-N 488.657 5.276 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1823752377 DQWPEXDYBDICHV-AREMUKBSSA-N 492.664 5.311 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCc3ccccc3F)CC2)cc1 1824167281 UFBVDANFMXDCHV-MHZLTWQESA-N 475.608 5.148 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824248359 UWTQWBVLJDMOBE-YNJKOYDBSA-N 475.073 5.290 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1826310145 JOKLZKNLBIGQCR-VSGBNLITSA-N 471.645 5.304 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1826690970 HAFXLQJDHRPBAS-QHCPKHFHSA-N 482.422 5.139 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)c(OC)cc(OC)c2F)CC1 1826772403 IKLWLJZBBUIHTA-IBGZPJMESA-N 492.607 5.208 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826779821 ZALSHDUEQYIBBC-AMEOFWRWSA-N 489.704 5.753 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(Cl)cncc4s3)CC2)c1 1827266132 JIFHTSFCQMNTPR-JOCHJYFZSA-N 493.032 5.368 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1827293840 BQYGNOVVCBPXBL-AREMUKBSSA-N 486.660 5.117 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1cccs1 1827681356 KHHQTZGREHNSBO-MHNQQFQPSA-N 489.012 5.213 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1828773934 SSCGKFVRHVTLBP-RDPSFJRHSA-N 495.714 5.353 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1828823737 ATBBUBMAZQPVNN-RPBOFIJWSA-N 475.633 5.652 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(C)c(C)c2)CC1)c1ccccc1 1829029573 CNFJIUFDRKSNDF-IZLXSDGUSA-N 471.645 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1829069082 IVXWLBVORPMBCF-QFIPXVFZSA-N 453.652 5.522 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829690031 YVBUJHCQUSVWRQ-VWLOTQADSA-N 494.035 5.548 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830015171 TXUBVXAPPZVQPC-NRFANRHFSA-N 473.495 5.026 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830507321 PJZFNHBDMAXAOI-QHCPKHFHSA-N 467.972 5.206 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1830521696 DVHZACIHYTYRJM-SIBVEZHUSA-N 477.580 5.008 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1Cl 1830577503 ORVPRSCAMRJMGM-JOCHJYFZSA-N 488.390 5.551 30 20 JKED O=C(c1cscn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602104 QJMVWMODWKAUSP-MHZLTWQESA-N 483.637 5.090 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)cc1 1830628886 OHJMVFIRJSPPNB-SANMLTNESA-N 490.554 5.059 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)CC1 1830633545 NPLPPQADZKHCHW-AVPJRLCVSA-N 463.666 5.592 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)CC2)cc1 1830653877 GHLVKUIYUPKRKL-JOCHJYFZSA-N 488.390 5.551 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3ncccc23)CC1)c1ccccc1 1830919579 VFFJFKOYPXFEAZ-NAKRPHOHSA-N 494.639 5.060 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060776 TTYWYFZHVQILSY-QIVTUHOFSA-N 497.595 5.531 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 1831316219 QRXXSFRQSCAEJS-XMMPIXPASA-N 470.057 5.465 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1831845940 SMIINCBPOAQFPX-NLFFAJNJSA-N 482.715 5.531 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1831854778 NWKOCTSWNPGLAQ-VWLOTQADSA-N 454.680 5.042 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1832033767 CAJFTJORFFKGNX-LADGPHEKSA-N 455.042 5.183 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832562854 XXQBVUDLOQYGSH-FQEVSTJZSA-N 469.478 5.454 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1832628591 XKHUDANCYWOPMR-ZBLYBZFDSA-N 496.611 5.516 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)c1 1832635583 KEVKKFOHUSJLPC-JIPXPUAJSA-N 485.628 5.186 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1832677306 UZSBEXOBJWWHIR-VWLOTQADSA-N 460.622 5.078 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)cc1C#N 1832703540 MZSPPNLMNMKKDZ-AREMUKBSSA-N 499.611 5.639 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C(C)C)CCC3)CC2)cc1C#N 1832704864 WZVPQEXVECAKRT-RUZDIDTESA-N 479.665 5.405 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1836583247 KXAOGGJWSPTVJE-IBGZPJMESA-N 494.035 5.202 30 20 JKED N#Cc1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)ccc1F 1847619306 NGMBOPZJEDTZTQ-JQTNAXFZSA-N 494.010 5.069 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172524 NMSQELICDFTGFH-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172858 JXMIXPMPFMMHKE-UHFFFAOYSA-O 482.576 5.181 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179320 UEACOLCHOXQXNA-UHFFFAOYSA-O 485.460 5.887 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159310 LZMXAJCYHYUIRI-UHFFFAOYSA-O 480.387 6.563 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 11250214 NWULBBUOKIKKNJ-UHFFFAOYSA-O 489.567 5.903 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)n(C2CCCC2)c1C 12240368 OUXKCARXHGHMPZ-UHFFFAOYSA-N 478.597 5.555 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc(N(C)C)cc2)cc1C 14872550 VTCSBWGKDMBCLC-UHFFFAOYSA-O 488.555 5.606 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccc(C)c1 22212605 NYKIWQQIQMDBJX-HXUWFJFHSA-N 454.599 6.226 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1-c1ccoc1C 23592452 FKXDKTOYASVXJB-ZDUSSCGKSA-N 481.628 5.912 30 20 JKED N#CCc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 23922896 KGARNSCSFPIQNI-UHFFFAOYSA-N 470.381 6.043 30 20 JKED C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2cc(-c3ccccc3)sc2c1=O 24268030 OSMGSHZKVAVNTM-OAHLLOKOSA-N 472.595 5.401 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc(-c2cccc3ccccc23)cs1 24844292 UXWPJHQCQZBSPG-UHFFFAOYSA-N 452.543 5.066 30 20 JKED Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2c1C 25440002 HZHGFXVCPIKBCV-UHFFFAOYSA-N 458.612 6.513 30 20 JKED COc1cc(CN(C)C(=O)c2cc(C3CC3)nc(SC)c2C#N)ccc1OCc1ccccc1 25621946 YUISVNUVQFOXSQ-UHFFFAOYSA-N 473.598 5.412 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1-c1ccc(Br)cc1 26216529 VKALPGGZUVFLRI-UHFFFAOYSA-N 471.355 5.980 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 30548386 HENPMEQUYAXABF-ZDUSSCGKSA-N 479.458 5.737 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 30969513 REXSBVBEIBNNEV-UHFFFAOYSA-N 461.418 5.112 30 20 JKED Cc1ccc(-c2nc(C)c(/C(O)=N/c3nnc(SCc4ccc(C#N)cc4)s3)s2)o1 33150983 ZRADOXIKOYORJB-UHFFFAOYSA-N 453.574 5.672 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nc2sccc2c1=O 36800027 QQQBUINAPHKXQL-FQEVSTJZSA-N 492.582 5.333 30 20 JKED Cc1cc(C)c(C#N)c(SCc2nc3scc(-c4ccc(Br)cc4)c3c(=O)[nH]2)n1 36833677 QLSJTIROLTZVQQ-UHFFFAOYSA-N 483.416 5.590 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 72025344 ABMVZNRAVPHENY-UHFFFAOYSA-N 459.505 5.766 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 102050409 OZNBINYLXXYTLX-QTIKBIPQSA-N 471.557 5.304 30 20 JKED N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 195651606 YCCVQLVFKYAZQY-HNNXBMFYSA-N 462.600 5.062 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)C2)c1 303215343 SOIXPNCWHSQTMJ-XMMPIXPASA-N 467.569 5.245 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccccc3SCCC#N)c3cnn(C(C)C)c3n2)c(C)s1 303313376 RPUXBRCTJQJPDI-UHFFFAOYSA-N 475.643 6.616 30 20 JKED Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1NC(=O)c1ccccc1 481964042 CRZNWUGKCVPRCQ-UHFFFAOYSA-N 453.420 5.312 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 488022945 JJYLYOHWMDZVBD-GOSISDBHSA-N 461.562 5.365 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 490627029 MYJCFPAKAWHYIF-NRFANRHFSA-N 486.547 5.353 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Oc3ccncc3)cc2)nnc1-c1ccc(Cl)cc1 497347186 LXJGZUBHEZNHMM-UHFFFAOYSA-N 477.977 5.703 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3SCc3cccs3)CC2)c1 501739191 AAVAMPJMDWNXPG-UHFFFAOYSA-N 461.612 5.403 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)c1C 501876405 ZTHVATDRGCUJKD-UHFFFAOYSA-N 495.052 5.177 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nc2sccc2c1=O 502729130 RTURYMKMZKVSGF-MRXNPFEDSA-N 494.667 5.451 30 20 JKED COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 506308132 OTHKFSDOWVDQGF-XXBNENTESA-N 474.992 5.652 30 20 JKED CCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nnc2ccccn12 506317276 SDJJDUKLEJAIME-FQEVSTJZSA-N 460.925 5.710 30 20 JKED CN(Cc1csc(Br)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 513549482 UGSMXQWKFXQRTA-UHFFFAOYSA-N 469.364 5.298 30 20 JKED N#C[C@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc(O)c2c3c(sc2n1)CCCC3 513655648 SQNBNUNRZODILX-CYBMUJFWSA-N 468.332 5.274 30 20 JKED C=CCN(C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1nc(-c2ccccc2)cs1 514560392 LSJKRGYXXXUMKB-UHFFFAOYSA-N 459.596 5.634 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 515826551 PLIKYMITZQAOFB-UHFFFAOYSA-N 494.345 5.427 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCSc2ccc(F)cc2)cc1Cl 515898117 JNFNSFMBCGPLQE-QFIPXVFZSA-N 481.980 5.372 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3SCc3cscn3)c2)c1 516131060 JOELBYWHUUPATB-UHFFFAOYSA-N 470.579 5.812 30 20 JKED CCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 518067030 MHSZAOSIHSHTLQ-OAQYLSRUSA-N 466.368 5.636 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 518240368 XEWYTHRYRLAFFB-HNNXBMFYSA-N 484.408 6.892 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1nc2ccccc2o1 518502265 FCRARJCWFULWKH-INIZCTEOSA-N 451.251 6.012 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)c2)cc1 519122355 BNVYYBTYRPFKBH-QFIPXVFZSA-N 477.467 5.195 30 20 JKED Cc1nc(NC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)sc1SCC#N 519564405 YNCBJIRUEKMCLI-HSZRJFAPSA-N 464.641 5.816 30 20 JKED CC(C)CNC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 520370562 BJZRYBFQAFCWDS-UHFFFAOYSA-N 478.017 6.142 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1cccc2ccccc12 520848196 KYEATVGXNIOXGP-UHFFFAOYSA-N 457.477 5.119 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 520855708 YJRKMSOESMLULK-GFCCVEGCSA-N 457.909 5.239 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 521304522 AKJMAHCITIWCMT-UHFFFAOYSA-N 452.605 5.463 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 521720097 NYGPTJYKIDLZDP-UHFFFAOYSA-N 458.606 5.200 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 521807463 MOYKMTCKATXBIX-IFXJQAMLSA-N 462.402 5.690 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 523200636 IHBIRHSGYARRCY-UHFFFAOYSA-N 486.547 5.353 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(OC(F)F)cc1 523811837 FHNWYJOWLJUDPO-QGZVFWFLSA-N 453.464 5.772 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1[N+](=O)[O-] 524440237 BJRHHWXXAVPSLU-UHFFFAOYSA-N 466.881 5.029 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(COCCc4ccccc4)c3)CC2)c1 524657674 CIXCVLANHWGEIP-UHFFFAOYSA-N 455.558 5.393 30 20 JKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 589405625 WFBVXQDQJRZLHV-UHFFFAOYSA-N 471.376 5.511 30 20 JKED CCOc1ccc(-n2c(SCc3cn4ccccc4c3C#N)nnc2-c2ccncc2)cc1 589958312 QRJJXAANIJXJTM-UHFFFAOYSA-N 452.543 5.145 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)s2)cc1 602230480 WNEZBJJGHAZOFV-UHFFFAOYSA-N 487.894 5.716 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2)cs1 603623296 GUHIRBVMQIKEGF-UHFFFAOYSA-N 458.568 6.055 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603624000 RGXACZRFJDTXLQ-UHFFFAOYSA-N 457.515 5.290 30 20 JKED N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c(-c2ccccc2)n1 603804115 JKJJCITUNAYZLU-MHZLTWQESA-N 477.524 5.006 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1cc(C)ccc1C 603893700 XGAPLRAQEJPPFJ-UHFFFAOYSA-N 453.999 5.059 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)s2)cc1 604003696 LCXMPZYWZQZHAO-UHFFFAOYSA-N 469.566 6.025 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604132726 FPZBDIUFSOMPLD-VWLOTQADSA-N 456.546 5.321 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCc4cccnc4)cc3)cc2Cl)c1 609062146 AGZHMANRBCMDEY-UHFFFAOYSA-N 469.928 6.017 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSCc3cc(-c4cccs4)on3)cc2)c1 609064591 GXEUDMNRUPCYDL-UHFFFAOYSA-N 461.568 5.726 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1 609073025 MEIRAEUPWXZRIT-UHFFFAOYSA-N 482.609 5.799 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1nccn1Cc1ccccc1 609078305 IJTFODPTJQDUER-UHFFFAOYSA-N 465.557 5.055 30 20 JKED Cc1ccc(C)n1-c1nc(CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cs1 609173246 NGHVPKFCTUZFJM-DEOSSOPVSA-N 456.571 5.053 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)c2)cc1 609176038 YAEPDAKHNWYSPX-UHFFFAOYSA-N 473.941 6.570 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cc2ccccc2o1 609400293 WYJICYLVOAZVSH-CYBMUJFWSA-N 461.465 5.273 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC(=Cc2cccc(F)c2)CC1 609401310 JJWRCHXKAOVIJK-UHFFFAOYSA-N 491.510 5.495 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 609431117 SMYMAZJPZWDIBN-VGOFRKELSA-N 479.005 6.117 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc2ccccc2n1C(F)F 613402001 XIRJVURJANTZFT-ZDUSSCGKSA-N 456.250 5.074 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 634545076 JTXXPODZOREHHM-JOCHJYFZSA-N 474.486 5.168 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CC[C@H](C)OC)C1=O 726401623 UGSPMKQOWIKYJG-KKSFZXQISA-N 490.025 5.042 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C#N)c(Cl)c1 726406655 LJOVCNDWMFTNOF-KRWDZBQOSA-N 491.787 5.112 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccccc2OC)cc1 726569878 NHISKMIQDZQFPS-UHFFFAOYSA-O 476.622 5.393 30 20 JKED CCc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 726571855 LAHWHIQQXDJGDB-UHFFFAOYSA-O 477.053 6.682 30 20 JKED C=CCn1c(-c2ccco2)nn(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1=S 726591038 BZZANYCVLWYNFT-QGZVFWFLSA-N 482.997 5.401 30 20 JKED C=CCOc1ccccc1CN(C(=S)NCCc1cccs1)c1ccc2c(c1)OCO2 727693510 HMSGXLJKZHXEDJ-UHFFFAOYSA-N 452.601 5.165 30 20 JKED CN(Cc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1)C(=O)OC(C)(C)C 728021212 DWLHJEZEFQKLPK-UHFFFAOYSA-N 461.518 5.349 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)COc2ccc(C3SCCCS3)cc2)c1 728722844 IKJHLAIHTMNAAU-FQEVSTJZSA-N 498.670 5.430 30 20 JKED CC(C)c1ccc([C@@H](CNC(=O)Nc2cccc(OCC#N)c2)NC(=O)OC(C)(C)C)cc1 729037255 RMHPGKSTLJQJKQ-JOCHJYFZSA-N 452.555 5.100 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)c2)cc1 729375443 FULITLOKZPSPEE-UHFFFAOYSA-N 495.988 5.431 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(-c2cccnc2)no1 729552697 INYCZLKONZRLQB-PKTZIBPZSA-N 452.518 5.306 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ncccc2C)c1 729630798 AGYHXFIWOPCMQZ-QFIPXVFZSA-N 480.540 5.137 30 20 JKED Cc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(OCc3ccccc3)cc2)cc1 730440682 VKTXLBMVKFIVOD-UHFFFAOYSA-O 496.612 5.368 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCc3c(C)noc3C)C2=O)cc1 730443576 PQBFQDCWJPEIOO-SHZNUGFISA-N 496.658 5.294 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccc(Cl)cc1 730686639 OGCANMSTDXCROO-AWEZNQCLSA-N 451.857 5.249 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(Cl)c2)o1 730720404 QJQWMSIFNQHBFG-LXGCGDOSSA-N 495.992 5.007 30 20 JKED N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 730922633 WSYDSAYGCPJPPE-GOSISDBHSA-N 482.483 6.149 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730942656 UJZMMXLGEQVNLP-FDDCHVKYSA-N 493.032 5.443 30 20 JKED O=C(Nc1ccc(SC(F)F)cc1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 730957755 KEYHYSVJSCAYSE-UHFFFAOYSA-N 498.811 6.444 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 731060251 DJSCUQCDWCGUCH-FABDANFUSA-N 480.586 6.004 30 20 JKED N#C[C@H](C(=O)c1sccc1S(=O)(=O)C(F)F)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 731136041 LGBMZVMHKWYZKZ-XRQNQDQWSA-N 482.599 5.159 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)ccc2C)cc1 731306445 BPDKIEFYRCBTEU-DEOSSOPVSA-N 489.597 5.178 30 20 JKED COc1cc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc([N+](=O)[O-])c1O 747155580 YTCNKOBMGSLZEL-WQRHYEAKSA-N 480.904 5.484 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cscn2)c1 747603126 PTTOXTUMQAYPOY-JOCHJYFZSA-N 478.643 5.105 30 20 JKED N#Cc1c(NC(=O)COC(=O)c2cnc(-c3ccccc3Cl)s2)sc2c1CCCCC2 747954264 ZIJJRAMORMBZFX-UHFFFAOYSA-N 471.991 5.461 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@@H](c3ccc(C(C)C)cc3)C(C)C)nc(O)c2C#N)cc1 824960497 XNYFEOWPOFJOIE-XMMPIXPASA-N 490.629 5.458 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C3CC3)CC2)cc1C 837298999 BAEMAYLDIRSVTM-DEOSSOPVSA-N 494.636 5.030 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 837763866 JAVRJLRGIWRJSJ-CJAUYULYSA-N 498.583 6.095 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccc2F)cc1 838073426 CFHPLYDHDNGYLH-JOCHJYFZSA-N 499.514 5.273 30 20 JKED CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)nc21 913235528 ZMWRKYYZEXYADS-GOSISDBHSA-N 458.591 5.125 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)[C@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)cc2)cc1 914870832 KVGIEIYQGYSKRC-NRFANRHFSA-N 476.479 5.284 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1 915101928 OTBHNVZYPAGXCB-FQEVSTJZSA-N 480.014 6.226 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 915737014 HTFIEZSCTSMWBX-ILBGXUMGSA-N 469.541 5.387 30 20 JKED CC(=O)Nc1ccc(O)c(C(C)=NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)c1 915955318 DJGKMHRWAPDQFA-UHFFFAOYSA-N 469.545 5.009 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CC2)C1=O 916204402 DWRYYVFGSJBJCG-SFHVURJKSA-N 482.364 5.264 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)c1 916206858 TVSBVVQBXCLQGV-NRFANRHFSA-N 464.978 5.204 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2ncnc3sccc23)c1 916368494 QYPPYXIWGVGIST-UHFFFAOYSA-N 456.531 5.007 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(Cl)cc4)cc3)ccc12 916885558 ZWYNFRMCOQNTPV-HSZRJFAPSA-N 486.911 5.295 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CSc1nc(C)nc2sc(C)c(C)c12 916902103 DISRVGHBSDQJNH-AWEZNQCLSA-N 489.022 5.027 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2c1C 916904406 CGLLCQYEOCCUJB-SFHVURJKSA-N 488.594 5.540 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 916932087 ZQLHFQZETFIWHR-NRFANRHFSA-N 473.479 5.402 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 916932192 RYSKFOZMESPJNO-HNNXBMFYSA-N 482.352 5.264 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1Cl 916937927 GUPCGDAOYGKYMW-OAHLLOKOSA-N 499.379 5.672 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 916975289 XCNXSGFVAFJYFY-LAUBAEHRSA-N 484.408 5.906 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)C2)cc1 916995720 GKOWGQXGGXLPOV-YLJYHZDGSA-N 498.435 6.154 30 20 JKED N#C[C@H](C(=O)c1ccc(N2CCNC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996495 NCMMIAVDXHFOKX-MRXNPFEDSA-N 457.342 5.137 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl 917030600 XKPHPYFEDOOTKQ-UHFFFAOYSA-N 487.416 5.375 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 917488925 XCQQKCSMQPBUFE-UHFFFAOYSA-N 462.619 5.137 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(SC3CCCC3)cc2)cs1 917560175 ILYHPNAWCWIRCR-GDNBJRDFSA-N 483.058 7.412 30 20 JKED C=C(C)CN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)SC1=S 917644171 VDTLMTVQBSLSRW-LZYBPNLTSA-N 450.010 5.258 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cccc(OC(C)C)c2)C1=O 917657798 RYVSQSOHABVXBI-IBGZPJMESA-N 480.417 5.048 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2F)cc1 917662838 DQGWGBMGNVJSBI-QFIPXVFZSA-N 494.498 5.136 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 917712670 GNXCPNDFXNCFPJ-HOYKHHGWSA-N 490.604 6.066 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)[C@@H](C)c1ccc(C#N)cc1 919863291 XKXMXYZRKRBPSV-IVFAQJDTSA-N 459.571 5.194 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1c(C)noc1C 920354328 BEOABELBILUTNO-QHCPKHFHSA-N 492.601 5.023 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cc(O)ccc2C)c1 920484318 NVYSSWLIOMQUBO-UHFFFAOYSA-O 490.649 5.725 30 20 JKED Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)Nc1cccc(Cl)c1 920485349 WAHSUJMSHYXWNK-UHFFFAOYSA-O 497.040 5.761 30 20 JKED C=CCCO[C@H](C)C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 921164941 BRNYMMZIOFJWKR-GOSISDBHSA-N 492.041 5.051 30 20 JKED CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 921233340 QEGCUOAINHKQMW-UHFFFAOYSA-N 483.977 5.406 30 20 JKED CCC(CC)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@H](CC)C2)on1 1709373664 RMKPLYTVZQAETJ-JOCHJYFZSA-N 480.638 5.000 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3)CCC2)cc1 1785786392 PYBDFSWDMAONQX-UHFFFAOYSA-N 476.536 5.204 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)CCC1 1786200003 PZLLZUGZRBFJNO-UHFFFAOYSA-N 492.616 5.165 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCc3cccs3)cc2)CCC1 1786948591 WZVRRSCGKOVPDH-JOCHJYFZSA-N 497.661 5.284 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cs3)cc2)CCC1 1788675820 ZPRLINFCDTYQQI-UHFFFAOYSA-N 465.438 5.178 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5ccccc5n4)cc3)CCC2)c1 1788922154 FJXNRLNALNAVSY-LJQANCHMSA-N 463.541 5.023 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cc4cccc(F)c4s3)cc2)CCC1 1788983978 AMKAEYHVANOJFL-OGLMXYFKSA-N 478.593 5.260 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)c5c(nc4c3)CCCC5)cc2)CCC1 1790079228 YFEVHNSJEVSAIT-UHFFFAOYSA-N 472.976 5.428 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5occc45)CCC3)cc2)c1 1790794997 MBVFZIWJURPZAK-UHFFFAOYSA-N 450.498 5.069 30 20 JKED CC(C)(C)c1ncccc1C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1 1790835039 IAATYISOSFCXAF-UHFFFAOYSA-N 492.583 5.189 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5sccc5Cl)CCC4)cc3)c2c1 1790835910 GQIWRRRAJKFQGW-UHFFFAOYSA-N 475.961 5.211 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC(C)C)cc2)CCC1 1791253184 OWJJHEUEERAIBQ-NRFANRHFSA-N 457.615 5.026 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1 1791300428 PRFFVRWEVBWCRM-UHFFFAOYSA-N 489.522 5.520 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(Cl)ccc3Br)CCC2)cc1 1791580327 YMPURKWABUPZMX-CYBMUJFWSA-N 481.843 5.097 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1791730623 NZDVJEWNDLUBPP-OAQYLSRUSA-N 469.626 5.008 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c(C(F)(F)F)o1 1792123578 JXGUTLVNJLMDHI-HNNXBMFYSA-N 496.489 5.690 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3OC)cc2)CCC1 1792145561 XDTZNGDPHKAIJN-UHFFFAOYSA-N 456.970 5.079 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1802502534 IKILDQFYOOIRRV-YNJKOYDBSA-N 458.606 5.021 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1802503816 UJMDATJVXSSABP-REWPJTCUSA-N 476.646 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2F)[C@H]1c1cccnc1 1802777234 BSUOYTKUVXQFAP-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1803079885 QIAPMNBHQLDUEN-PBXXJUDPSA-N 463.647 5.037 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1803084153 OFFJJIZFSBHBHZ-RPLLCQBOSA-N 468.601 5.026 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1803089879 SCNVMCZXWAGOMY-URORMMCBSA-N 477.624 5.435 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1803559811 IRWFQORCJYBDKS-YADARESESA-N 498.048 5.252 30 20 JKED C=CC[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](CCC)CC1)C2)NC(=O)OC(C)(C)C 1804009185 JDIJHSMXUNRKDQ-OVUYMFTPSA-N 489.701 5.091 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC4(CCCN(C(=O)C(C)(C)C#N)C4)CC3)c2c1 1805044688 SEGXHOYMMOFDPN-UHFFFAOYSA-N 479.621 5.034 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4cccc(C(F)(F)F)c4)C3)CC2)cc1 1806489674 JZNMEUGRKYYDDQ-JXMROGBWSA-N 481.518 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccnc3C(C)(C)C)[C@@H]2c2cccnc2)c1 1807784635 HJCIEFFRFLMXPS-PSUQPPDWSA-N 495.627 5.035 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)c1 1809617376 IJRJXIJRYFYMLB-HNNGHJNESA-N 498.671 5.198 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccnc3ccccc23)[C@H]1c1cccnc1 1810271341 DIAFFKXVTTWJMI-LXFBAYGMSA-N 498.703 5.001 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c(C)c1 1811425962 NEKVAJQIBYQKGN-NVQXNPDNSA-N 487.003 5.165 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1)C(F)(F)F 1812683515 POAOVVBWGLIVMP-GHTZIAJQSA-N 473.520 5.043 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)c1F 1814587322 LENCKUYYJOJFNJ-JOCHJYFZSA-N 489.551 5.136 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)c3ccc(Cl)cc3)n[nH]2)c1 1814659353 GRDFGYFIXLVGOT-QMHKHESXSA-N 491.979 5.053 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1 1815206047 WZDJANQDINOKKK-DEOSSOPVSA-N 475.593 5.002 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815684893 WMSFESLLYMTMJB-LAUBAEHRSA-N 458.990 5.127 30 20 JKED Cc1ccsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1816350130 OWKXUMRPOVQXPW-SFHVURJKSA-N 487.507 5.290 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818453569 ZBMAYVZWPPQJFE-VWLOTQADSA-N 479.540 5.063 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818596334 DUXUPKSMBOFYCB-IBGZPJMESA-N 452.555 5.263 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)oc3cc(O)ccc23)n[nH]1 1818657681 DQADJHQXDDWVSA-HXUWFJFHSA-N 464.566 5.468 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)CCCC3=O)n[nH]1 1818689735 YJTKVONUSYTCAU-JOCHJYFZSA-N 462.594 5.227 30 20 JKED C=CC[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)sc2C1 1818931574 JWADMFQZFGVKDD-DOMZBBRYSA-N 476.524 5.081 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)[nH]n1 1819306127 XJOISICUYMNMJR-SIKLNZKXSA-N 462.594 5.198 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)[nH]n1 1819311244 RVCOZJZUCASRJU-LPHOPBHVSA-N 456.974 5.146 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ncoc3c2)[nH]n1)c1ccccc1 1819518890 HZKAPDDYHIXIOS-URXFXBBRSA-N 481.556 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1819556604 HFPSAIFZWGECFO-SFHVURJKSA-N 485.610 5.095 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)cc2s1 1821277086 FPZDEZYSFXCFNQ-HXUWFJFHSA-N 492.992 5.406 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccoc34)[nH]n2)c(Cl)c1 1821277372 XWCRGDJRPSMHAX-OAQYLSRUSA-N 473.920 5.301 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821694494 PZYLQGRWRLQCIO-UYAOXDASSA-N 469.655 5.673 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1821919482 YCENUAYEFIABMP-KUHUBIRLSA-N 466.479 5.015 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)[nH]n1 1821922797 POLXAZZYMUOHTG-SCLBCKFNSA-N 466.916 5.183 30 20 JKED Cc1ccc([C@@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1822060474 UEFXFEMYWWVUOP-CJFMBICVSA-N 469.589 5.018 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1 1822981284 ZNYDSUVSEIJTCG-FCDUAZGNSA-N 499.656 5.008 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216040 NIHNPUPKZQYBLK-KSFYIVLOSA-N 491.979 5.318 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3Cl)[nH]n2)cc1C#N 1823292958 WXTLDJDYYHIVAY-QFIPXVFZSA-N 491.979 5.342 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1)C(F)(F)F 1823303863 BMARMUWHUVWDGM-HNNXBMFYSA-N 479.261 5.280 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)cc1 1823671523 GCSZDIPCCISEKQ-JOCHJYFZSA-N 485.415 5.002 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c(Cl)c1 1823685738 FTJPSMOFMVCDKR-SANMLTNESA-N 494.035 5.086 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccc(Br)c4[nH]3)CC2)C1 1823700468 OJCMFZZEIRYKMK-QFIPXVFZSA-N 484.438 5.130 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 1824035831 YMONWIPASMQJIW-XPGKHFPBSA-N 452.614 5.317 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc4ccccc4n3C)CC2)c1 1824042740 VGRXXHPHOBRDET-ZTOMLWHTSA-N 496.655 5.281 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824234937 DIGLGQWCCYEBCS-AHKZPQOWSA-N 454.655 5.029 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1824884450 VHUZHVLYULXDDL-BCHFMIIMSA-N 496.026 5.582 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1824960522 OOGRXXYWILBCCJ-JOCHJYFZSA-N 483.505 5.465 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1826195406 RPRBRSBTQSKWNZ-CYFREDJKSA-N 479.024 5.218 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1827844403 KFPMEDYTAWQOLG-JOCHJYFZSA-N 483.012 5.008 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C)c3F)CC2)C1 1827991158 LOASKOGBFIDYMS-NRFANRHFSA-N 477.418 5.096 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnnc3ccccc23)CC1)c1ccccc1 1828114032 VJZNOSVZVRMKLL-ABYGYWHVSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828422085 JYAKCBQVOYITPS-HYBUGGRVSA-N 456.593 5.516 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Sc2cccs2)CC1 1828826220 AANUGZFQQGUDHU-CEMLEFRQSA-N 460.709 5.617 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1 1828907822 JPXYARDQIFBSRS-DEOSSOPVSA-N 456.747 5.238 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1829066600 LPGZJBPZYNEWMZ-HSZRJFAPSA-N 467.679 5.830 30 20 JKED CSc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1O 1829667136 PTHQQMVOTZVMMP-YADARESESA-N 491.657 5.288 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1829677942 UXZNSARGFANWND-ROSOWXQZSA-N 465.638 5.017 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)c1Cl 1829687781 GZXCIKOURATYPV-XMMPIXPASA-N 494.010 5.316 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689909 CNTKCDCHGJTLSG-GMAHTHKFSA-N 454.014 5.213 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765782 PTRJEWDBTQHITI-UUOWRZLLSA-N 469.029 5.176 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)ccc1F 1830361168 ZDLQQSGRRBGQPE-WKZNCHQYSA-N 493.667 5.466 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)ccc1F 1830361769 UZCMZBRGXSMSHW-HHHXNRCGSA-N 473.592 5.051 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)ccc2Br)CC1 1830509320 KQLPEOSBMONUQD-LJQANCHMSA-N 498.259 5.021 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1830599110 CGNXUVSGXOVQJX-AREMUKBSSA-N 473.617 5.283 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccncc34)CC2)c(Cl)c1 1830722498 KICCLTSUHKODHC-AREMUKBSSA-N 487.003 5.307 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)c(Cl)c1 1830723393 HFCLEWPCMVRWAT-QHCPKHFHSA-N 454.014 5.025 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1830752893 RDVIJTDKOZDZCB-MUUNZHRXSA-N 498.671 5.025 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)c1 1830767619 JVIHDXRMNXPSCR-MUUNZHRXSA-N 498.602 5.548 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1831445018 YPTLDOYCCWUCNG-ACBHZAAOSA-N 464.519 5.186 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1)C(F)(F)F 1831449142 RTFLJVBKDOTYPF-FGZHOGPDSA-N 450.545 5.164 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1)C(F)(F)F 1831450241 JNPUCGWFENEXIO-HSZRJFAPSA-N 489.538 5.042 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719672 OXKXBWYPTCCMDR-PXAZEXFGSA-N 463.858 5.198 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 1836696962 JZAZEZZVECVNHQ-UHFFFAOYSA-N 479.448 5.374 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)CC1 1838289703 WYPQYSVMBOSQLL-UCGXPXSYSA-N 472.714 5.584 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1843459377 YZXUGDFEUXTKAV-UHFFFAOYSA-N 483.084 5.468 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1844203507 VELNMROWZZIQNH-FPOVZHCZSA-N 466.025 5.213 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccc(F)c(Cl)c1 10754626 VINRDRVNWPKWMZ-UHFFFAOYSA-O 492.821 6.142 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1cccc(Br)c1 11084846 FNLDXACNCRFXSL-UHFFFAOYSA-O 482.467 6.275 30 20 JKED C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)Nc1ccc(C#N)c(Cl)c1 15532740 HGMPIIWBMTUQIR-ZDUSSCGKSA-N 481.002 5.437 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)COc1ccccc1-c1ccccc1 16013826 BOGLCUQKPBCMMF-UHFFFAOYSA-N 452.304 5.371 30 20 JKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccccc1 17187149 OAUKDNJPHLNJHH-XMMPIXPASA-N 469.497 5.104 30 20 JKED COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(CC#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 17368427 FUCNDUQHKFKGNI-YWEHKCAJSA-N 483.568 5.201 30 20 JKED C=CCn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1cccnc1 18405292 BMCDQIRSVSZAID-DEOSSOPVSA-N 451.555 5.724 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)c2ccc(C#N)cc2)cc1Cl 18950790 PMPOTIYEGLAMOS-UDWIEESQSA-N 493.997 5.642 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccc(C(C)C)cc1 22728724 NVVLWUSMVFERGC-UHFFFAOYSA-O 462.595 5.927 30 20 JKED C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 23599642 UZNDIBIOCXDSTF-KRWDZBQOSA-N 457.534 5.123 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccc(F)cc1 24014695 GGFYAWWAADFKTK-VWLOTQADSA-N 490.579 5.749 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(C3SCCS3)cc2)n(C2CCCCC2)c1C 25809875 KXEBAIICNQRFOX-UHFFFAOYSA-N 483.659 5.756 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 32786859 DMMADTQVJFOHHI-UHFFFAOYSA-N 479.005 5.377 30 20 JKED Cc1nc(NC(=O)c2ccccc2OCc2ccccc2Br)sc1SCC#N 107899729 NUKSMJCTFANCNU-UHFFFAOYSA-N 474.405 5.661 30 20 JKED Cc1nc(NC(=O)c2oc3ccccc3c2CSc2cccs2)sc1SCC#N 109270153 LZKYJGVWBTXHSL-UHFFFAOYSA-N 457.627 6.420 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccccc1 110897330 VOVGGXBDYREUDB-UHFFFAOYSA-N 464.541 5.010 30 20 JKED COc1ccc(Br)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 116525294 PRTBDFVDJXKHGP-UHFFFAOYSA-N 453.292 5.383 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 169541251 HJKGROWCHWZNNX-ZKLMZBBOSA-N 458.510 5.513 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nnc1-c1ccccc1F 195568976 UIMPARGMHLHLBW-UHFFFAOYSA-N 493.633 6.266 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)nnc1-c1ccccc1F 195569003 MFZODFKAHPFEED-UHFFFAOYSA-N 495.605 5.712 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 195633868 NHCOWYKAJHMJEI-UHFFFAOYSA-N 469.928 5.775 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nncn3CC(F)(F)F)c2C#N)C1 302973285 BRXPPZWDSHHGSY-GFCCVEGCSA-N 471.574 5.045 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 410382635 MKEPCFMVCRUMNM-LJQANCHMSA-N 496.592 5.385 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)n1 488284658 XABZFSPCQKSQGH-INIZCTEOSA-N 476.505 5.405 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cccc(OCCCC#N)c2)c1 488478004 BOEYSIMXAPXQAQ-UHFFFAOYSA-N 466.541 5.542 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 488809001 WICLCMZIDMLVGA-UHFFFAOYSA-N 495.391 6.666 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 498368013 SXLZNNOSNYIERJ-UHFFFAOYSA-N 487.408 5.590 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 500745511 QXWFWCFHOCTVDI-UHFFFAOYSA-N 491.613 5.261 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCn1cnc2sc(C)c(C)c2c1=O 501164512 TXSICFFTOWJJDG-UHFFFAOYSA-N 474.561 5.018 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(N3CCCC3=O)c2)cc1Cl 503297870 QNNROSRDRCLSEY-HSZRJFAPSA-N 458.949 5.444 30 20 JKED N#Cc1ccsc1C(=O)Nc1ccccc1Oc1ccccc1NC(=O)c1sccc1C#N 503419980 QCOFGCADZIFHOZ-UHFFFAOYSA-N 470.535 5.850 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 503539996 HVDLVNQBXZJQGF-HXUWFJFHSA-N 458.543 5.283 30 20 JKED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1 503679199 IQRCXMPFBWJBCS-SFHVURJKSA-N 489.409 5.142 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1 511363966 OBUJMMOELIVGHH-UHFFFAOYSA-N 478.552 5.627 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 512274148 ATTVHSJABADLCO-UHFFFAOYSA-N 481.531 5.078 30 20 JKED CCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 512316273 UQNDXCBFTBFPJF-SFTDATJTSA-N 496.567 5.046 30 20 JKED C=CCn1c(SCc2csc(-c3ncccn3)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 515560547 QLLWSQNFKNSPNN-UHFFFAOYSA-N 489.651 5.825 30 20 JKED CCOc1cc(CN(C)C(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OC(F)F 515644495 PQBHGMMLSRGDBY-UHFFFAOYSA-N 456.445 5.003 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CSCc3coc(-c4ccccc4)n3)c2)c1 515674464 CBTAHZHTXGKXKI-UHFFFAOYSA-N 468.538 5.337 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3c(C)noc3C)n2)cc1 516713832 KLVZAKNPLKAVAU-HXUWFJFHSA-N 475.595 6.206 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)c1 517800846 LOFKBJVYMFTIDZ-FQEVSTJZSA-N 464.481 5.188 30 20 JKED CCC[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)Nc1cccc(N2CCCC2)c1 518682080 QJYJSWLLIYMDAL-WMZHIEFXSA-N 479.650 5.467 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCCS(=O)(=O)c3ccc(Br)cc3)cc2)c1 518731933 RGFCBKPBHQMMBK-UHFFFAOYSA-N 499.386 5.306 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518748012 CJQHPWRQHFIYKM-UHFFFAOYSA-N 454.313 5.254 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)Nc3ccccc3SCCC#N)cc12 520802727 FVXKYUUTRIYJEJ-UHFFFAOYSA-N 452.992 6.307 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 520835751 VJDTVALTEIGDDA-HNNXBMFYSA-N 475.957 5.645 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 521270479 VKTLQAJZDFIXPT-UHFFFAOYSA-N 477.586 5.063 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1c1ccsc1 521740230 QMLRNAYIOQVLKR-INIZCTEOSA-N 453.511 5.075 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl 522493369 ZPDSLYSCBXZSGD-OAHLLOKOSA-N 483.355 5.047 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1 523523151 DTIUEHRIUPWOFP-UHFFFAOYSA-N 484.575 5.738 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 523572726 ZGEWGHPZGRRWGI-UHFFFAOYSA-N 451.555 5.765 30 20 JKED COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Br 552988154 PFAQZDABRFTYGQ-UHFFFAOYSA-N 487.341 6.054 30 20 JKED C=CCn1c(C)nnc1SC[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 579328937 FIVASHUPQDVGDO-FQEVSTJZSA-N 464.418 5.339 30 20 JKED C=C(C)COc1cccc(NC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)c1 589382532 FWFTZPSJVAVSMQ-UHFFFAOYSA-N 481.272 5.256 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1 589944786 SUJYECNMSMXUOV-UHFFFAOYSA-N 467.620 5.126 30 20 JKED CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)nnc1-c1ccc(Cl)cc1 603530363 NYKGPJHFGXBXTF-UHFFFAOYSA-N 468.026 5.267 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)c(OC)c1 603640581 PCHROERANWMTBZ-UHFFFAOYSA-N 486.568 5.183 30 20 JKED Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1NS(=O)(=O)c1ccccc1 603895021 FLGKVZXHAORXOT-UHFFFAOYSA-N 487.537 5.092 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(F)cc3c2OCOC3)cc1Cl 608840877 FHFFKDQOCDNOQA-OAQYLSRUSA-N 451.885 5.323 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609065176 CZCNOBWURKWQBO-UHFFFAOYSA-N 481.552 6.282 30 20 JKED COc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OCC(F)(F)F 609079046 GWQOVUNUOSRPHR-UHFFFAOYSA-N 499.489 5.717 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2)c1 609426903 WQBCBWXFDWMWEM-UHFFFAOYSA-N 457.364 5.452 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1C 609436902 YFKRNIVDCMQRLJ-LJQANCHMSA-N 481.666 5.230 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)cc1 626582655 JQBFZQKJNROYSR-UHFFFAOYSA-N 481.556 5.416 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nnc1[C@@H]1COc2ccccc2O1 639395104 WYJAESLLBJOFOE-ZEQRLZLVSA-N 490.629 5.221 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2nc3n(c(=O)c12)CCCCC3 642281834 NZKUNORHHCQHCC-MRXNPFEDSA-N 495.029 5.760 30 20 JKED CCOc1cc(C=Nn2c(S)nc3ccccc3c2=O)ccc1OCc1c(F)cccc1Cl 725858686 FDKOONOMBHVEPJ-UHFFFAOYSA-N 483.952 5.338 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1oc2ccccc2c1CSc1ncccn1 726319259 DHJAZLYESIYJKG-HNNXBMFYSA-N 462.918 5.130 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3c(C)noc3C)C2=O)cc1 726422018 UEGLWNMFLIEOFM-WSJNKUPNSA-N 482.631 5.251 30 20 JKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc21 726546199 FMYLXALBYJECRG-UHFFFAOYSA-N 485.609 6.400 30 20 JKED CCN(C[C@H](C)C#N)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 726961988 RCCXXAKKMWJTNN-CQSZACIVSA-N 450.395 5.468 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 728028562 MKEMVBQUSSSWTD-RUZDIDTESA-N 471.557 5.650 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)NC(C)=O 728412783 WLAYNZMBBSGHLZ-IAGOWNOFSA-N 475.492 5.158 30 20 JKED CC(=O)N(c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C 728680660 VYIGQYHBDBHQIW-UHFFFAOYSA-N 465.600 5.460 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CCCCC#N)C1=O 728777293 JYTQJFHQXYLJLL-HXUWFJFHSA-N 489.428 5.956 30 20 JKED N#C[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1ccc(OCc2ccccc2)cc1 729369850 NUPABGLCTGRGFI-VWLOTQADSA-N 490.650 5.894 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NCc2ccc(C#N)cc2F)c1=S 729832776 LXSXBRANCMBAGF-UHFFFAOYSA-N 471.989 5.252 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F 730484934 YACXAAVDBMLRRD-TXEJJXNPSA-N 458.374 5.376 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1cccc3ccccc13)O[C@H](C)C2 730688356 VBKILRVRQYJHQI-LNKMKMDRSA-N 454.526 5.013 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 731003044 XUQHYIIUYNXGRH-UHFFFAOYSA-N 465.509 5.454 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1cccs1 731063135 IYMJVPMLWHUEGE-INIZCTEOSA-N 464.568 5.026 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Br)cc1 731071669 VTVCITPVZGSZGQ-HNNXBMFYSA-N 475.408 5.303 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3cccc(Cl)c3Cl)n2)cc1 743463082 TYWMDIPYGAYSAX-INIZCTEOSA-N 456.354 6.024 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)c1 743527145 ZORXKYDVMKBRHF-QFIPXVFZSA-N 480.540 5.137 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2cnc3sc4c(c3c2=O)CCCC4)cc1 744597538 VLOFAFHOEQLXCB-UHFFFAOYSA-N 495.608 5.139 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744997878 XDKDKBNEJXXUNQ-XMMPIXPASA-N 480.593 5.188 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 747804817 UOCSNAOILDIXPX-TUSQITKMSA-N 492.645 5.170 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 750685610 AMQSVBNUKAEEFR-JOCHJYFZSA-N 478.593 5.100 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2-c2ccccc2)cc1 750908448 ANKQJZARFBQAKN-RUZDIDTESA-N 480.593 5.026 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)c1 837450876 PQPKGKQJVAQEOX-XMMPIXPASA-N 496.652 5.276 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)cc1F 838532650 HINVUUFDQGHUPW-FQEVSTJZSA-N 461.534 5.124 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694741 UCRNOBWPOJXKCQ-AOMKIAJQSA-N 481.549 5.019 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)n(Cc2ccco2)c1C 915418908 CINRQXKSLGYNIN-UHFFFAOYSA-N 485.327 5.202 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)C)cc2C)ccc1Cl 915605353 GFLCPRIQXKPECU-UHFFFAOYSA-N 484.021 5.348 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1Cl 916208947 BAGREXPFVMFXAO-KRWDZBQOSA-N 478.799 5.249 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1F 916211561 PPJYQFLAYJVZBS-IBGZPJMESA-N 457.914 5.233 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 916907295 LSJVKEZMEZSETF-RPLLCQBOSA-N 491.056 6.635 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916943788 YPZDRYAESBORMC-QYDWLILUSA-N 498.379 5.262 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1 917038939 WTSGVBIMIOPWRT-QXHGNLAOSA-N 450.947 5.116 30 20 JKED Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)n1 917047253 UYWXMEMMDWRPHR-INIZCTEOSA-N 456.017 6.497 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cs1 917561737 LTLPHNWCEKUTMG-WEVVVXLNSA-N 451.762 6.684 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2C#N)n1 917707027 IVYCLPNHGALODK-QFIPXVFZSA-N 489.988 5.076 30 20 JKED COc1ccccc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccn1C 918052336 CPKLOEYAVNNKIV-DEOSSOPVSA-N 487.947 5.657 30 20 JKED N#CCOc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 919815172 BTSVHDNCIHTUQS-NRFANRHFSA-N 486.424 5.487 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2ccccc2OCC#N)cs1 920633426 NARJJIXXAGQQGL-UHFFFAOYSA-N 476.341 5.394 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806418 KWFJNJJYSLSEFO-CMPLNLGQSA-N 480.323 5.390 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 920867194 CGXAFDHMXJSTSS-IIBYNOLFSA-N 474.026 5.200 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 920981870 CIXFFGOQKJXPKL-QHCPKHFHSA-N 489.597 5.143 30 20 JKED C=CCCO[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 921164943 BRNYMMZIOFJWKR-SFHVURJKSA-N 492.041 5.051 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3ccc(C)cc3s2)C1 1781365450 CPOWOXYYGJAACQ-GNMGOMLTSA-N 466.647 5.106 30 20 JKED CCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccc(C#N)cc3)cc2)CCC1 1785853230 XNNPHJJSZGCJTN-QHCPKHFHSA-N 490.604 5.058 30 20 JKED CCOc1c(F)c(F)cc(C(=O)NC2(c3ccc(NC(=O)C(F)(F)C(F)F)cc3)CCC2)c1F 1786604501 OCUWTKGXSMAREQ-UHFFFAOYSA-N 492.391 5.151 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cc(C)n1 1788839577 IQSHNQGCOAHTBZ-UHFFFAOYSA-N 472.976 5.539 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCCO3)CCC2)cc1 1789507728 PWMOLLZKSOOXPO-QHCPKHFHSA-N 454.687 5.131 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)CCC1 1789870012 DKCZOYOOTSGDDJ-GOSISDBHSA-N 495.929 5.075 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789937828 GETOHPOTJUVNRS-UHFFFAOYSA-N 461.512 5.708 30 20 JKED Cc1ncc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)s1 1790083816 MNCGLFAZYRRNCE-UHFFFAOYSA-N 450.951 5.038 30 20 JKED Cc1ncc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)s1 1790084042 SKXSQGLKEORUTG-ZHACJKMWSA-N 476.989 5.438 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C)cc2)CCC1 1790477719 PYLUDHDYIQRJSU-QTEQDKRBSA-N 483.653 5.368 30 20 JKED CCOc1c(F)cc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc1Cl 1790727559 BJQMPFHNFQETHF-WKULSOCRSA-N 497.954 5.338 30 20 JKED Cc1nc2ccncc2cc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767615 AXJRSCGYCPSMPS-UHFFFAOYSA-N 495.970 5.525 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C5CC5)on4)CCC3)cc2)cc1C#N 1792169747 YDKVIWBHGREAFD-UHFFFAOYSA-N 484.556 5.272 30 20 JKED Cc1ccc(-c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc([C@@H](C)C#N)c3)C4)c[nH]2)cc1 1794591392 YZTXBMYQGVAZFZ-XSGUUIGASA-N 466.585 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1802375786 HIPKNWARFAPFGY-RDPSFJRHSA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c(OC)c(C)c2)[C@H]1c1cccnc1 1802499756 IRHOGWOIRRIEGY-UPVQGACJSA-N 463.622 5.019 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c(C)cc2OC)[C@H]1c1cccnc1 1802500364 MZZDIIJMZBKNKN-RDGATRHJSA-N 463.622 5.019 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1803087333 ROUUCZOOVVMCEO-JTHBVZDNSA-N 471.523 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1Br 1803907601 HVJDBHOWVBEGNR-YYIAUSFCSA-N 465.819 5.123 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(F)CCCC=C1F)c1ccc(C#Cc2ccccc2)cc1 1804569575 QPCZAQBYTFAGJY-JLMYGFKKSA-N 474.551 5.084 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)CC2)C1 1806025555 LVJHQHSVDQJZLW-OAQYLSRUSA-N 496.648 5.076 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@](C)(OC)c2cccc3ccccc23)[C@H]1c1cccnc1 1807427532 WDCKXWLVIFQVQJ-GMCSOHGKSA-N 485.628 5.015 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1)c1ccccc1 1810409202 JOHIDGMNVHLYFM-UYECTIAXSA-N 495.623 5.290 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1810504557 FIKKNRGKFBRXJK-UGKGYDQZSA-N 473.539 5.412 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1810962767 PYRSBHVFCVRZMR-FDDCHVKYSA-N 491.941 5.267 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811539878 UVBCBRKLZSMWGY-MDQGVCTMSA-N 498.627 5.178 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1811947557 VGFSTYIXNPJNMB-BKMJKUGQSA-N 479.596 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1812439921 QBUCXLKRVKEFHE-FCBCXNLDSA-N 478.036 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812807750 RBTHYDYYNAIHGY-MZKUHISZSA-N 453.671 5.852 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1814299454 CUUNEYGMGXVLIN-NEEKEDPPSA-N 499.655 5.165 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3c(Cl)cccn23)[nH]n1 1814442691 WYKNGFNOZIRHAU-GOSISDBHSA-N 468.989 5.009 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(-c3cccnc3)n2)n[nH]1 1818148441 SAKUZHDDERRMAE-OAQYLSRUSA-N 476.606 5.003 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818813523 AZMPSHFOFCYPRX-WULXXNAGSA-N 493.567 5.802 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Br)c4ccccc34)n[nH]2)C1 1818983667 IWSKUEGMKYVKNA-QFIPXVFZSA-N 493.405 5.598 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)Oc1ccccc1 1820221615 ZAHNVUVZQQGPFG-VGOFRKELSA-N 491.979 5.098 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3F)[nH]n2)c1Cl 1820222669 DJIMIVCRBYNXKL-NRFANRHFSA-N 479.943 5.013 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@](C)(OC)c2cccc3ccccc23)n[nH]1 1820705243 XEDZCPKRYOGYSU-MPQSRKKISA-N 474.605 5.329 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1)NC(=O)OC(C)(C)C 1820903449 ULSYNHYLYCZCLM-XYLLXSKMSA-N 499.656 5.008 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)CC1 1820977941 AILRUBWMKJYSGT-HSZRJFAPSA-N 461.610 5.388 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821213136 RRVDIGADQFBAFO-UTKZUKDTSA-N 488.991 5.675 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2OC)n[nH]1 1821792491 NQUBWAOOSUTOJO-HXUWFJFHSA-N 473.017 5.299 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1821923020 RWHOXCQIKKMFTR-RXVVDRJESA-N 471.561 5.465 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cc(Br)ccc3c2)[nH]n1 1821925166 NHXAOOLTZLZCPZ-VFNWGFHPSA-N 496.409 5.239 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1)C(F)(F)F 1821992553 ZZWSXNUDFSVOIT-HNNXBMFYSA-N 466.460 5.188 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1822392441 TUNDKHNKMXDYCJ-OAQYLSRUSA-N 469.545 5.056 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cnc(C)s2)n[nH]1)c1ccccc1 1822928930 OHJALKLSWBJDQG-IRZONMJZSA-N 487.629 5.077 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cn(C)cc3C(F)(F)F)[nH]n2)c1 1823212208 MCSGZXORUGAPRP-QVKFZJNVSA-N 498.509 5.014 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)[nH]n2)c1 1823216852 OZCWSXXTLVEEMT-MHECFPHRSA-N 473.552 5.115 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)C1 1823701209 CFYBQDZMDMGHQB-MHZLTWQESA-N 460.593 5.692 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1823753142 FSDRUMUKZJEFQP-XMMPIXPASA-N 450.623 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824953683 UZAANPAVVBUUNR-VPUSJEBWSA-N 474.645 5.607 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CNc2ccccc2C)CC1)c1ccccc1 1827007288 ZYONVYUOHRICQM-LMSSTIIKSA-N 485.672 5.224 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)CC1 1827908744 AUGBGPXOOPGJKB-UGKGYDQZSA-N 465.560 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnn2-c2ccccc2)CC1 1827973044 ZQELVMALUDNIAM-DEOSSOPVSA-N 462.638 5.098 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1828746284 ZUJRRKAJUDUIDY-XMMPIXPASA-N 474.992 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1828828161 DOENLZOCHQHFGX-QUCCMNQESA-N 452.517 5.300 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1828830075 KHCNYVNTTCAYKX-YADHBBJMSA-N 485.650 5.075 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccoc2)CC1)c1ccccc1 1829035159 KUBWASVKKHBIEI-SXOMAYOGSA-N 460.618 5.029 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 1830299266 ZOVHRNKLGPHFOU-XWVZOOPGSA-N 491.717 5.148 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccc(Cl)cc1 1830358963 LPUNNZXBSKFRQB-BCHFMIIMSA-N 496.026 5.317 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c1 1830574509 FSVDLRQCZKFKNH-UUOWRZLLSA-N 481.999 5.653 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CC1 1830807442 YMMAJMQYTANWCF-VWLOTQADSA-N 477.555 5.169 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1831445842 KUMHKVWEBZTQAL-NRFANRHFSA-N 464.984 5.203 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1831737668 KFZPJTVNUCJWEX-DQEYMECFSA-N 482.665 5.025 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1832029868 TZXCQWJEBLVIGK-VWLOTQADSA-N 481.040 5.157 30 20 JKED CCn1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c2ccccc21 1832631950 YWNOWRVREQMMDM-HFZDXXHNSA-N 497.643 5.230 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3F)CC2)c1 1832635372 BZZASQARIDXQPL-IDISGSTGSA-N 475.608 5.319 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832635830 UQHDIBXPILGVCL-SCEISYLISA-N 495.667 5.669 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ncccc23)CC1 1832865259 GXRKAFKRYVWGPR-DEOSSOPVSA-N 464.654 5.108 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1832922529 RHKGJWQMEWCRKS-TZRRMPRUSA-N 489.701 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CC1 1838423823 GKBJVASIWKJKSY-UHFFFAOYSA-N 499.454 5.737 30 20 JKED C=CCSCC(=O)N1CCCC12CN(C(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1841884494 KSSWUPPWAIGDGP-UHFFFAOYSA-N 495.664 5.160 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172547 YKQQYWRGHKRYKK-UHFFFAOYSA-O 467.605 6.824 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179615 APQCLWHOPWAIEY-UHFFFAOYSA-O 488.416 5.665 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)nnc1-c1ccc(F)cc1 10498298 KYCXBKSGOWVTSD-UHFFFAOYSA-N 468.888 5.256 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c1 11260724 ROSKXKBAGYTFPX-UHFFFAOYSA-O 455.550 5.609 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nc2scc(-c3cccs3)c2c1=O 11380550 SPWKGPRZZJTCAJ-OAHLLOKOSA-N 495.651 5.694 30 20 JKED N#Cc1ccc(F)c(COC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1 11506925 NBZJFNKDJGUHCX-UHFFFAOYSA-N 453.267 5.069 30 20 JKED COc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc(Cl)c1OCC(C)C 14621390 ONINPLROASZIRK-UHFFFAOYSA-N 489.022 5.651 30 20 JKED O=C(C[C@H]1S/C(=N\c2ccc(F)c(Cl)c2)NC1=O)Nc1ccc(SC(F)F)cc1 15231634 LIDDQZPXUSDQBP-CQSZACIVSA-N 459.902 5.042 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)nc2cc(Cl)ccc2c1=O 16827294 YFGFJJXKUOQVAS-CYBMUJFWSA-N 492.826 5.426 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nc2sc(C)c(C)c2c1=O 22072023 HSJKMAVXPQEMEP-GOSISDBHSA-N 468.648 5.139 30 20 JKED Cc1ccc(-c2cc(/C(O)=N/c3nc(CN4C[C@H](C)O[C@H](C)C4)cs3)c3ccccc3n2)o1 22297215 PJEOZSKYZHSHBL-CALCHBBNSA-N 462.575 5.505 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1CC 26581245 AHTAHQCKPUFZME-QGZVFWFLSA-N 463.628 5.327 30 20 JKED Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)sc2c1 69585547 YMDBYQMNOKKKNA-UHFFFAOYSA-N 494.624 5.610 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1ccccc1F 195568934 RHWTYOWUEDQTIR-UHFFFAOYSA-N 488.544 5.909 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccc(Cl)cc2)cs1 216009259 UFRMESZJUNUCNN-MRXNPFEDSA-N 466.931 5.985 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(OCc2ccccn2)cc1 409525571 OHUGLMBAAFHFIH-UHFFFAOYSA-N 484.369 5.460 30 20 JKED COC(=O)Cc1sc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc1-c1ccccc1 483468923 XVXBPPPYZGPYGR-UHFFFAOYSA-N 469.522 5.442 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(C(=O)Nc4cccnc4)c(Cl)c3)c2)cc1 484354390 VUYWBRYCTLGUQS-UHFFFAOYSA-N 468.900 5.904 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSCC(=O)c1ccc(Cl)cc1 499253697 RQJSFVAKCAKUNK-UHFFFAOYSA-N 451.935 5.262 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccco1 499319341 LEESCMCGGMQWTF-WBKMXMRLSA-N 461.591 5.332 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 500765659 HDYCMXLQEYSULV-UHFFFAOYSA-N 469.570 5.533 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)C(=O)N(C)CCC#N 501554232 VATCQOVJODRQJR-HNNXBMFYSA-N 476.444 5.065 30 20 JKED N#C[C@@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2n1C(F)F 502692760 PUAMAFQQDSDMAU-INIZCTEOSA-N 459.481 5.836 30 20 JKED CCCN(Cc1ccccc1Br)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 506986207 LOWMEFKAORXXIW-UHFFFAOYSA-N 497.393 5.224 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1cc(C#N)ccc1OC(C)C)CC2 507787499 GCFVFYOZQBGTTN-RUZDIDTESA-N 477.586 5.604 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc(OC)c1OC 508032619 LJYYWSNFCOJQIK-HSZRJFAPSA-N 499.571 5.008 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)cc1 508143649 BFBPZPMSYPIADL-UHFFFAOYSA-N 455.558 5.344 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl 510024743 WVXAWHBNAVZJCI-VWLOTQADSA-N 458.993 5.782 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(=O)N(C)C[C@H](C)C#N)c1 510050738 SLXBSURTKHXVGK-MRXNPFEDSA-N 495.070 5.145 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 516415502 YMZSQMSPYIZCNQ-OAHLLOKOSA-N 483.355 5.519 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 516542646 NPCTWSGPURFSOD-UHFFFAOYSA-N 495.579 6.172 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)n2)cc1 516714238 WPFSREHHCSOUPO-OAQYLSRUSA-N 479.565 5.566 30 20 JKED CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518155534 HCRCLNHKFXERSN-DJIMGWMZSA-N 455.546 5.227 30 20 JKED C=CCN(C(=O)Nc1cc(Cl)ccc1N1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 518752036 GESWVLHJIVPVAK-GOSISDBHSA-N 465.989 5.087 30 20 JKED Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)n1 518818355 YDIGRYMHFHPUQG-QFIPXVFZSA-N 470.598 5.045 30 20 JKED Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)n1 524388008 BUPHZMZSKFWNKP-UHFFFAOYSA-N 450.542 5.429 30 20 JKED CCOc1ccccc1-c1nnc(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)o1 590643813 FUKFWAYOGMQCRI-UHFFFAOYSA-N 491.573 5.188 30 20 JKED CCOC(=O)c1sc(N(C(=O)CSCc2ccc(C#N)cc2)c2ccccc2)nc1C 603738600 FBHQETAUOJOUCY-UHFFFAOYSA-N 451.573 5.098 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](OCC(F)(F)F)C2)cc1Cl 603829011 MPJIWGAZWXMDDJ-PKOBYXMFSA-N 451.876 5.571 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(OCc2cccnc2)cc1 603889908 DPDHCVDFUNYAQT-LJQANCHMSA-N 453.498 5.195 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)o1 603964410 KJVXGKYOVCACOG-XMMPIXPASA-N 480.499 5.390 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccc(F)cc4)c3)cn2)cc1 604087236 XFSYVUNPXZEJDP-UHFFFAOYSA-N 481.487 5.459 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1 608804698 FZBQPCYMKFELGS-UHFFFAOYSA-N 469.472 5.052 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCc2nc3c(s2)CCCC3)cc1Cl 608922667 OHDPNLWOQIITPW-FQEVSTJZSA-N 493.032 5.018 30 20 JKED COc1ccc(COCc2cccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)cc1 609059117 JTXYERVORCBITA-UHFFFAOYSA-N 468.509 5.708 30 20 JKED COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609068533 MKXSCUYLHKFMJD-UHFFFAOYSA-N 487.375 5.018 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609079171 NOTJBIBYWGGIBJ-AREMUKBSSA-N 485.584 5.667 30 20 JKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609079693 JFLMDBXAOJHQIE-UHFFFAOYSA-N 491.979 5.319 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 609080617 KBJSPRJWMUSOPN-OAQYLSRUSA-N 482.584 5.889 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 609083161 XHSOGQOWKJTDDB-UHFFFAOYSA-N 469.410 5.048 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 609370653 KXONZWWAYQKYKJ-OAHLLOKOSA-N 469.661 5.390 30 20 JKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612806179 WCTUBBRHRFFQIM-VXGBXAGGSA-N 466.344 5.636 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 614072544 AHKAACWONCGBHY-NRFANRHFSA-N 487.456 5.818 30 20 JKED O=C(CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)Nc1cc(C(F)(F)F)ccc1Cl 618449738 WBJMFCBYZUTNOE-UWVGGRQHSA-N 456.736 5.360 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1 658176884 ZNRHJJDCBBXZQV-SFHVURJKSA-N 483.663 5.165 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)S/C2=N/[C@H](C)c2cccs2)cc1 726414242 AHRDTSPURWBTRD-VBOMYQPLSA-N 493.654 5.024 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N/[C@@H](C)c1cccs1 726420471 LTLZLQDGLFRRQB-JCPNLMEESA-N 481.643 5.328 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccco1)c1cccs1 726421538 QYXLZEOOBYBRTN-UNJCWQMKSA-N 457.552 5.070 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccc(C(C)(C)C)cc2)c1 726572863 QDPAVHMCMVTYGO-UHFFFAOYSA-O 498.672 5.983 30 20 JKED CN(CCC#N)c1ccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 726626438 CHLDCUQUHXLNLJ-CPNJWEJPSA-N 461.534 5.457 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(Cc2ccc(F)cc2)n1 726911140 HYGVMOQSEDHRGL-UHFFFAOYSA-N 461.312 5.125 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1 728119827 SUYHWPPFCWTDDH-MHZLTWQESA-N 455.558 5.423 30 20 JKED Cc1ccc2c(c1C)OC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 728424599 FFKJRBWJHJZIIW-BJKOFHAPSA-N 496.592 5.269 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c1 728780097 NQOSPFJGRVNFQY-QFIPXVFZSA-N 466.582 5.405 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1 729553713 RNQCTWBYHUOATN-FYYLOGMGSA-N 473.882 5.567 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cc(F)ccc1F 729632962 BRSNHWJVRSPZLY-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2CC)N(C[C@@H]2CCCO2)C1=O 730525447 QREFBEQGGINPTG-RDPSFJRHSA-N 495.645 5.177 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 730687199 LTDNBKUHVRYAGV-QGZVFWFLSA-N 473.520 5.720 30 20 JKED CCCOc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cn1 730713340 NONXCMQMAIWFKI-JOCHJYFZSA-N 492.576 5.170 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2cocn2)C1=O 730729397 LUGAHAPFIOZXRM-DIUXXVEUSA-N 498.630 5.115 30 20 JKED CCOc1ccc([C@H](CNC=C2C(=O)CC(C)(C)CC2=O)c2c[nH]c3ccccc23)cc1OC 731000793 WIXIOJJQPWDIAO-FQEVSTJZSA-N 460.574 5.139 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)c1 731320393 WWEGRQWMDMWVRV-HMAPJEAMSA-N 472.957 5.978 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(F)cc1F 745584461 PBEZZARTRRFXHW-JOCHJYFZSA-N 499.514 5.273 30 20 JKED N#Cc1cccc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)c1 746750232 JYOLWGVXTYLMLY-NDEPHWFRSA-N 473.532 5.277 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1C 747598268 AEHDNTODDVQQLY-OAQYLSRUSA-N 499.061 5.882 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)cc1 747601003 SHQCGTTUNGOCTR-HXUWFJFHSA-N 468.579 5.005 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 747622640 NFOOCEYHNYLHEJ-UHFFFAOYSA-N 493.526 5.583 30 20 JKED CC(C)(C)C(=O)Nc1sc2c(c1C(=O)OCC(=O)c1cn(CCC#N)c3ccccc13)CCC2 779442318 NEROTOUMLQJEAZ-UHFFFAOYSA-N 477.586 5.129 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CC(F)(F)F)C2=O)cc1 799221365 OSMONCXNYOCAAW-KRWDZBQOSA-N 485.915 5.261 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N([C@H](C)c2cccnc2)C1=O 837299152 CZTBFRUGGYMAGH-JPYJTQIMSA-N 474.586 5.120 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)c(C)c1 837425070 GUIDXICDIAULGI-DEOSSOPVSA-N 496.652 5.276 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N([C@H](C)c2cccnc2)C1=O 837833622 XKGXABODBHJDOP-WZONZLPQSA-N 474.586 5.120 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccccc1F 838485228 FMEWVPJEPRGVAV-HSZRJFAPSA-N 495.551 5.176 30 20 JKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1 844151073 PRQVUFVKLLCZHJ-NRFANRHFSA-N 454.526 5.027 30 20 JKED C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 911525997 DDTOZWQWXFCISC-SECBINFHSA-N 479.122 5.326 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(NC(C)=O)c1 913117727 GAZFWAXPXDZJRS-QFIPXVFZSA-N 466.607 5.104 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 914694250 FXJJYFFKOIHWIU-YCRPNKLZSA-N 469.513 5.149 30 20 JKED N#C[C@@H](C(=O)CCCn1c(=O)oc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103400 VUQFGAAWSHYHGV-HNNXBMFYSA-N 472.353 5.681 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(Oc3ccccc3)c2)cc1 915781658 HSAGYYQTNJRPBI-MHZLTWQESA-N 461.521 5.389 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2Cl)C1=O 916204136 ACPYOWZDFZWWMB-QFIPXVFZSA-N 479.989 5.509 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc(Cl)c1C 916205414 IXOOYCYMXWLZQG-OAQYLSRUSA-N 490.025 5.044 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C[C@H]1CCCO1 916206946 VYPDVKKTMKLVBZ-FOIQADDNSA-N 493.963 5.066 30 20 JKED Cc1cc(OCCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1Cl 916654040 UVMQNEDDPTZBFF-INIZCTEOSA-N 455.967 5.273 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 916904176 XVCWXUOTGHKUGQ-LJQANCHMSA-N 477.586 5.222 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1Cl 916941119 PDWLVWBRUXROTI-KRWDZBQOSA-N 499.379 5.672 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996485 MZSZPGDJFRGUKM-INIZCTEOSA-N 451.375 6.366 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2cc(Cl)ccc2s1 917046701 MJFFDQAQJFWKPG-WMLDXEAASA-N 478.788 5.738 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)cc1 917590091 WFDAWZDWPXUXAK-UHFFFAOYSA-N 499.021 5.309 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2sccc2C)C1=O 917702304 FNMPEYQBIGRXOP-OAQYLSRUSA-N 490.610 5.097 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2cc(Br)cs2)n1 918487895 RLPPBNNWTUVDPW-OAHLLOKOSA-N 488.432 5.720 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)c(C)c1 918546469 AMNCGZUEXWOLRO-VUFATCQFSA-N 470.639 5.121 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920110323 CSJZKPKDHMGLRH-HNNXBMFYSA-N 468.127 5.447 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccc(F)c(F)c2)C1=O 920353773 RRBRAOZTSOBGNP-QHCPKHFHSA-N 495.551 5.442 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCCC(=O)Nc4ccccc4)CCC3)cc2)cc1 1785880863 REEZFCCUPDTXPO-UHFFFAOYSA-N 494.595 5.044 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C)CCC2)cc1 1786545125 SDBSTCITNSDESN-QFIPXVFZSA-N 481.593 5.114 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)C(F)(F)C(F)F)cc2)CCC1 1786603544 HAZNPMMTEMKYFA-UHFFFAOYSA-N 466.353 5.255 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCc4cccs4)cc3)CCC2)c1 1786949311 OVSVHUPBEQVRAL-UHFFFAOYSA-N 459.571 5.009 30 20 JKED Cc1ncc(Br)cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1787047043 KXVGXTRJTYCEMJ-UHFFFAOYSA-N 489.373 5.086 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)ccc1F 1787074672 CKUVHLASOVOOKI-UHFFFAOYSA-N 496.464 5.481 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1788361142 YXASBLJHARQFHL-ZCTHSVRISA-N 492.579 5.517 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4ccc(F)c(F)c4)cc3)CCC2)CC1 1788375595 CEBRGIUJGQJMEK-UHFFFAOYSA-N 472.495 5.078 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(OC)cc4[nH]3)cc2)CCC1 1788974908 DEXNNCICEKYHAS-UHFFFAOYSA-N 453.489 5.136 30 20 JKED COc1ccc2c(c1)CC[C@@H](CC(=O)Nc1ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc1)C2 1789166428 VDWWKMWZFPHNJL-HXUWFJFHSA-N 471.601 5.018 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)c1 1789878078 NNCSSJSESWBNEO-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2)CCC1 1790351111 IRLAMLQRUKSGKC-UHFFFAOYSA-N 463.553 5.057 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC(F)(F)F)CCC2)cc1 1790519098 FNYKFJFTXWQKEE-IBGZPJMESA-N 497.558 5.323 30 20 JKED CCSc1ncccc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790521645 SJJGRZGHEHLNMQ-UHFFFAOYSA-N 488.588 5.195 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)cc4F)cc3)CCC2)c1 1790663965 OJDYBHACIFKEQY-KRWDZBQOSA-N 457.505 5.220 30 20 JKED CN(C)c1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1 1790708452 HRQPRLYLMJBRIL-UHFFFAOYSA-N 480.612 5.199 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4Cl)CCC3)cc2)c(Cl)c1 1790767663 DGMLLRDQRANGHK-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4Cl)CCC3)cc2)c(Cl)c1 1790767996 WFZBMOMAYUGPAX-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)C56CCC(CC5)CC6)cc4)CCC3)c2c1 1791981100 ZGWBBSYLWLFOGS-UHFFFAOYSA-N 467.573 5.153 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Cc4ccncc4)CCC3)cc2)c1 1792126293 DMJZPSRHZFPTEO-NHCUHLMSSA-N 466.585 5.335 30 20 JKED CC(=O)Nc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c1 1792137174 FRCVTUAYKKXKSS-UHFFFAOYSA-N 486.959 5.232 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc[nH]4)CCC3)cc2)cc1C#N 1792168331 NOAYUCGGIRWZRA-UHFFFAOYSA-N 470.573 5.054 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)CCC3)cc2)CCC1 1792229722 WDLQBIFIOIRYQD-HVCNVCAESA-N 468.601 5.192 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)[C@H]1c1cccnc1 1803088835 HQEBOUXNFXZWOP-XCZPVHLTSA-N 459.634 5.105 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1806542235 KSEFUQCZLNYXKU-URXFXBBRSA-N 487.566 5.341 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1807967869 YPRMDMWFJTYSTQ-RXVVDRJESA-N 482.675 5.373 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@@H]2c2cccnc2)C1 1808489386 LBWQLGFWNZGVIH-CPJSRVTESA-N 475.976 5.281 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810112299 TVAHRAJGRNPFHE-NQAVQENRSA-N 469.676 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1810174510 ZWTMDITVHIWVSL-IPVFLDMMSA-N 491.035 5.613 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811734283 PQJNDHGJEOYCJA-HRFVKGKKSA-N 491.016 5.091 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1812807832 CRJBWQVISSSUMF-SQHAQQRYSA-N 474.649 5.578 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)[C@@H]1c1cccnc1 1813058681 RSAOGLNISFIIPD-ATIYNZHBSA-N 490.003 5.210 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@H]1c1cccnc1 1813226124 KVUWAOQRQWJINT-OFSOJUDTSA-N 497.614 5.325 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)c1 1813865595 GYRKTTDYKPROBS-WYGKXPGCSA-N 498.671 5.635 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)[nH]c2c(Cl)cccc12 1815243308 OEMAYUQNDLYTAQ-UTKZUKDTSA-N 474.030 5.113 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)cc1Cl 1815247102 WKULNJOFPCBKPY-GHTZIAJQSA-N 479.046 5.111 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3[nH]2)n[nH]1 1818986184 AVTZPDXHRGFBOI-OAQYLSRUSA-N 469.536 5.468 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820099618 VUKIBCYSLGJJAL-AVRDEDQJSA-N 487.629 5.951 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)cc1 1820466964 LDYWRLIZWMLHBQ-QFIPXVFZSA-N 495.505 5.239 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)[nH]n2)cc1 1820549879 UOSUNELKSCXOCA-YJRNTSOCSA-N 459.594 5.194 30 20 JKED Cc1cccc(Cl)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1821145801 DBSQXPBURBLSMI-VGOFRKELSA-N 475.980 5.618 30 20 JKED COc1cc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c(C)c1 1821254782 GPHKQDSEISUAGL-JOCHJYFZSA-N 491.979 5.180 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)[nH]n2)cc(C(F)(F)F)c1 1821308728 COEQCGCXOVWVAH-DGSRBQDKSA-N 493.489 5.319 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821539732 CBRCUHXIWODIBD-QGZVFWFLSA-N 461.900 5.062 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)S)n[nH]1)c1ccccc1 1822385309 PAMLESWPANUUMF-XRODADMRSA-N 499.725 5.075 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)[nH]n1 1822584340 KQSSMUAPMBYNTE-RUZDIDTESA-N 471.605 5.128 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)[nH]n2)cc1C#N 1823292358 HYMGZPNAVOHCRY-QFIPXVFZSA-N 491.979 5.342 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1823683734 ZZJOBSYWKZNPPZ-VWLOTQADSA-N 497.561 5.443 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1 1824053250 MQDHLYSRMJNWPG-MHZLTWQESA-N 489.685 5.211 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1824144693 CEKWXSRBOCPNGR-IZLXSDGUSA-N 477.693 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1 1824642052 LDQNQNGBBYBOKD-XTPHCPMCSA-N 487.566 5.280 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)c1 1826477311 YEJUGTRJMHFSQD-IBVKSMDESA-N 478.036 5.443 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1827353442 XDXJAFURFXDASP-DEOSSOPVSA-N 499.627 5.179 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3occc3Br)CC2)c1 1827770050 TWBBZYKMXPHFQK-HTAPYJJXSA-N 498.421 5.216 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2Br)CC1 1827770237 LXWWRBGYJYHKDV-LJQANCHMSA-N 465.432 5.268 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CC1 1828351572 KKPWDRYOTJKJIY-BVAGGSTKSA-N 477.649 5.325 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)cc12 1828577086 DUZZDXDPHZSPKR-HHHXNRCGSA-N 491.752 5.761 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1 1828668863 PPVFDJWTBPMLAJ-HSZRJFAPSA-N 451.636 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2noc(-c3ccccc3)n2)CC1 1828826867 DOKDRVUUIMXZKD-DQEYMECFSA-N 490.648 5.057 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2coc(C(C)C)n2)CC1)c1ccccc1 1829030519 QGSXPTKIMGPZDN-AOYPEHQESA-N 475.633 5.229 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829492753 NTTPSGDXPXNMHV-NDEPHWFRSA-N 471.645 5.750 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CCC1 1829622581 MXWHXLXGPVGDFW-AREMUKBSSA-N 494.639 5.533 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3O)CC2)c1Cl 1829689386 CVEQPSZHTQANKY-QFIPXVFZSA-N 491.975 5.211 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)c1 1829955875 VLXPTZYESWEAKE-NDEPHWFRSA-N 478.596 5.167 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccc(Cl)cc1 1830358969 LPUNNZXBSKFRQB-SIBVEZHUSA-N 496.026 5.317 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830734694 BYVCOWPTWPFSIC-OAQYLSRUSA-N 467.412 5.559 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830990596 RMHIJMDMDKJKMY-VWLOTQADSA-N 478.709 5.717 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccnn3C)c(Cl)s2)CC1 1831371010 RZPQIKHHVQVKAV-PXNSSMCTSA-N 489.085 5.248 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1)C(F)(F)F 1831453594 GPBAVWOVTAXRFK-QUCCMNQESA-N 468.947 5.108 30 20 JKED COc1ccccc1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832630025 XDBAUJYEYGLTHI-CUNXSJBXSA-N 487.644 5.188 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1836696075 HWUJNIJBSBAOKZ-LXFBAYGMSA-N 480.693 5.583 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4sccc4s3)CC2)CC1 1838310715 GNIDSCCCHNSWAV-HXUWFJFHSA-N 472.676 5.343 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc2c1=O 9353563 INJYCDHPLNRFJV-UHFFFAOYSA-N 454.766 5.274 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 10173520 WQNWZPBZVOCAQK-UHFFFAOYSA-O 453.578 6.163 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(OC)cc1 10406278 COQGDPMPFXYUES-AWEZNQCLSA-N 478.496 5.158 30 20 JKED C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 10929075 BTGAEADDUBQQPB-IBGZPJMESA-N 487.398 5.145 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NCc3ccc(F)cc3)s2)n(C2CCCC2)c1C 12483667 LPNKGTWWCFFLLO-UHFFFAOYSA-N 484.626 5.425 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(Cl)cc1 15276159 JJZZDUCIAJYYSM-LBPRGKRZSA-N 467.809 6.211 30 20 JKED C=CCn1c(SCc2nnnn2-c2ccccc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17663636 VEWQSJGCGOYRBT-UHFFFAOYSA-N 490.589 5.027 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(-c2ccccc2)cc1 21128520 ZAPHCVRAVCKRNR-UHFFFAOYSA-N 474.561 5.580 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)nnc1-c1ccoc1C 23519610 BRYCJOMVJCCPNV-FUHWJXTLSA-N 450.608 5.269 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc3c(c2)CCCC3)cc1 23603433 DNORCLKGJHUXQK-UHFFFAOYSA-O 476.622 5.025 30 20 JKED C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 26997999 KBUQPMSMUATSDR-AWEZNQCLSA-N 499.065 5.062 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc3ccccc23)cc1 28695781 WVXCOZCFOAPNQQ-UHFFFAOYSA-O 484.645 6.278 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2cccc(C)c2)c1 28780860 WVIHFVZYCQWXQR-UHFFFAOYSA-O 454.413 5.713 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2cccc3ccccc23)c1 28782878 PZBRWHFPRDPTQL-UHFFFAOYSA-O 476.419 6.249 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C)o2)ccc1Cl 29270522 ZZAINKOKPLERMS-UHFFFAOYSA-N 493.412 5.548 30 20 JKED CCOC(=O)CSc1nnc(/N=C(\O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)s1 29392522 WSUSFDBUUDKRAU-UHFFFAOYSA-N 494.023 5.192 30 20 JKED CC[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCc2ccccc2C1 32446111 WCINVJFXUJJRPB-VWLOTQADSA-N 455.627 5.417 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccccc1OC 45697569 MQNYWYHQVMNWRY-MRXNPFEDSA-N 493.658 5.319 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 107877170 UMHGRUQJEVPQFQ-UHFFFAOYSA-N 462.859 5.137 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1 107879386 GJCCISUBTZXAAP-OAQYLSRUSA-N 490.972 5.787 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CC1 195708824 BTZPXURPYDNBHW-UHFFFAOYSA-N 467.451 5.118 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)s2)cc1 195747145 IGACXUNTDPNNDL-DLBZAZTESA-N 471.405 5.207 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 303236093 ZLJRJESVJVRBCI-UHFFFAOYSA-N 483.355 5.513 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C(C)C)n2Cc2ccco2)c1 481147284 UQLDKRWWOMJMHO-IBGZPJMESA-N 451.596 5.087 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)nnc1-c1ccc(Cl)cc1 485380499 MABMTYRMBYIPEH-LJQANCHMSA-N 480.943 5.639 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3nc4ccccc4n3CCCn3ccnc3)c2)cc1 485410136 NILKZNWZCHZJCB-UHFFFAOYSA-N 462.513 5.239 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc(-c2ccccc2)cs1 504480373 NPHJEOQGYIEBPD-LJQANCHMSA-N 470.573 6.294 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1)[C@H](C)c1ccc(C#N)cc1 509603197 KOPGHHDHZCHSSP-GOSISDBHSA-N 465.550 5.030 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 509917576 DOPSVSYLFFGSNF-RUZDIDTESA-N 471.557 5.718 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)cc1 510258423 OETOLVHXHXOJMC-SFHVURJKSA-N 489.597 5.676 30 20 JKED N#Cc1c(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)sc2c1-c1ccccc1CC2 511097657 XOUZNPZHIHTWHS-UHFFFAOYSA-N 465.460 5.237 30 20 JKED CC(C)N(Cc1cccc(Br)c1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 512259964 JNMCWCUBNKXFNX-UHFFFAOYSA-N 497.393 5.222 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)s2)cc1 514031717 WVWXZDUPBLTVQU-UHFFFAOYSA-N 498.530 5.115 30 20 JKED N#Cc1c(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc2c1CCCCC2 514471903 PINBTHQYVQWLDU-UHFFFAOYSA-N 482.959 5.811 30 20 JKED C=CCn1c(SC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc2c1=O 515322692 WPOLKYKJJWTWFW-QFIPXVFZSA-N 494.563 5.120 30 20 JKED C=CCN(C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1nc(-c2ccccc2)cs1 515327660 MFLASUGFFJKEOR-UHFFFAOYSA-N 465.534 5.444 30 20 JKED COc1cc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1OCC(F)(F)F 515570356 FHVMDYVXEYNRBP-UHFFFAOYSA-N 470.447 5.017 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1ccc(C(F)(F)F)cn1 517306338 QKQCXNBMCNWXQB-SNVBAGLBSA-N 458.284 5.538 30 20 JKED CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Cl 517433668 CDXANKXYOUYMTJ-UHFFFAOYSA-N 495.907 5.263 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)s2)cc1 517800852 LULCOIMDLRMMSI-FQEVSTJZSA-N 475.595 6.139 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 519441871 SHDAIPJCPNSZDR-CRAIPNDOSA-N 463.525 5.553 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)cc2)cc1 519978242 MVDKUCHSMDJNGK-UHFFFAOYSA-N 487.512 5.543 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cs1 520845439 HCFSYXBNBJBUTI-CVEARBPZSA-N 464.616 5.186 30 20 JKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 521208707 AZSTWTTVDZPXJE-UHFFFAOYSA-N 459.546 5.403 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@]34CCC(=O)N3c3cc(Cl)ccc3S4)c2)cc1 521278160 KGPJVWLXFULVIZ-SANMLTNESA-N 489.984 5.553 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(CCC#N)CC(C)(C)C 521486510 QDRUOIULFNJSJN-MRXNPFEDSA-N 468.648 5.474 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 521679964 ZIJQNUIPWWVOHU-KRWDZBQOSA-N 472.014 5.635 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 523193500 OOQXIFFUTMZUPS-IZZNHLLZSA-N 461.512 5.469 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2F)c1 524455806 BLMCBBSIKXAZBL-UHFFFAOYSA-N 452.489 5.592 30 20 JKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)c1 551394678 JTFYOKOJXIMWKJ-UHFFFAOYSA-N 490.991 5.818 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(Cc2ccccc2)n1 553364595 UAJKAJVUZQXJTK-QGZVFWFLSA-N 453.658 6.000 30 20 JKED CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCSc2ccc(Br)cc21 556947245 OTTGCRNIHBNDKF-KRWDZBQOSA-N 476.465 5.368 30 20 JKED C=CCN(C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 596276861 GWZPUSJILFLLAS-VQTJNVASSA-N 490.608 5.012 30 20 JKED COc1ccc(CN(C)C(=O)[C@@H](Sc2nc(C)cc(C(F)(F)F)c2C#N)C(C)C)cc1 602756493 SUZDMZLLEOBEIQ-IBGZPJMESA-N 451.514 5.064 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)Cn4cnc5ncccc5c4=O)c3C#N)C(C)(C)C2)o1 603561021 BSUTXRKOSKYFFB-CLFYSBASSA-N 497.580 5.043 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 603738499 KFNZAVGOPXZYQZ-SFHVURJKSA-N 460.559 5.061 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1 603972296 IEJRRCLAHWSSSP-UHFFFAOYSA-N 454.452 5.703 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(OC)cc1 604360924 WBFPOZTYVXIXNK-DEOSSOPVSA-N 459.502 5.094 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3C[C@@H]3c3cccc(Br)c3)c2)c1 608841703 UAGJRYNJZPXGNN-YADHBBJMSA-N 475.346 5.251 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 608876240 GWJXPQQMDNGGTD-JOCHJYFZSA-N 495.004 5.198 30 20 JKED Cc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n(-c2ccc(C(F)(F)F)cn2)n1 608943203 DKZSUTCXCDYGTE-UHFFFAOYSA-N 477.446 5.298 30 20 JKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)n2)n1 609072895 CYTAOKBSPJCLPP-UHFFFAOYSA-N 471.948 5.549 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)cc2)c1 609073363 DNBMTDFSDJIMCK-HHHXNRCGSA-N 461.521 5.247 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 609080519 ZXJJQRQKASCYLK-RUZDIDTESA-N 496.394 6.358 30 20 JKED C[C@@H]1CCCCN1CCOc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 609151974 JAXKYTZALDLOAM-GOSISDBHSA-N 493.658 5.208 30 20 JKED C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609402096 DJVTWSBNNCXHJP-ZDUSSCGKSA-N 453.461 5.008 30 20 JKED CCc1nc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2nc1CC 613403107 CPWHRPQNYNTLGQ-CQSZACIVSA-N 454.477 5.873 30 20 JKED COc1cc([C@H](C)NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccncc1 616056038 KQYFUEAGNHHLGO-SFHVURJKSA-N 483.490 5.100 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(Br)cc1 619153942 HRHPQGFYZQNRCN-CQSZACIVSA-N 475.387 5.460 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)cc1 624939214 YSXDYEUXRDEWSD-UHFFFAOYSA-N 468.509 6.188 30 20 JKED C=CCN(Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)Cc1ccc(Cl)s1 674866519 NDAVODLYFFFHDW-UHFFFAOYSA-N 460.068 6.656 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1C 725994691 JIKNZCKYQOCWLU-UHFFFAOYSA-N 487.503 5.549 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 726394549 VJWDSFFQTRCPMU-YWZLYKJASA-N 494.444 5.056 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(C(N)=O)cc1 726400433 JUSFSCVBLRCUAU-HSZRJFAPSA-N 488.613 5.089 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2ccccn2)C1=O 726423058 ZGOPGLKUFBIQOI-VBUNTTMDSA-N 499.061 5.695 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc2c(c1)COC2 726571468 VJJRRSUBFWVDHA-UHFFFAOYSA-O 462.982 5.415 30 20 JKED CC(C)c1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 726571571 XTOYIXIAKDXXFQ-UHFFFAOYSA-O 489.064 6.825 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)cn1 726890656 KTYORDQWZJGCQW-SFHVURJKSA-N 492.523 5.012 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc(OC)c(Cl)c2)cc1 726961957 NAOXZWXSNVRHHK-UHFFFAOYSA-O 485.029 5.516 30 20 JKED C#Cc1cccc(N(C)C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c1 728482978 VIGZMPZVDLFMQB-UHFFFAOYSA-N 452.510 5.186 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CCCCC#N 728778878 GDXLBEAFSRGRDP-DEOSSOPVSA-N 486.597 5.503 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)cc1 729144071 AQWNBBANARXJSE-HXUWFJFHSA-N 480.615 5.011 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(C3CCC3)C2=O)c(OC)c1 730461676 GRUZGFVNPNWDCV-HSZRJFAPSA-N 481.618 5.340 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)cc1 730461921 UNYIQEKZGSBFRW-HXUWFJFHSA-N 457.983 5.170 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944155 RHCDLXZXINUBOE-NBGIEHNGSA-N 486.641 5.982 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 731029914 JUELSRNRMWHVHX-LJQANCHMSA-N 480.634 5.134 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2ccc(Br)cc2)CCC1 731069892 JJNZZKFBPAIGQY-INIZCTEOSA-N 487.419 5.304 30 20 JKED N#CCOc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)cc1 731155987 DDQRRHKOOHFOEO-UHFFFAOYSA-N 471.369 6.088 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 731307957 JZPGEJNPIANLFK-XMMPIXPASA-N 484.581 5.342 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@@H](C)c2cccs2)s1 731311479 CLVZVRJUYMQKCT-QGBHTJAESA-N 485.656 5.414 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(C3CCCC3)C2=O)c(OC)c1 743524933 MNWFTLZVVMOWTN-QFIPXVFZSA-N 485.581 5.054 30 20 JKED COc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)ccc1SC 746486780 HHNSVUVIQPPNIJ-UHFFFAOYSA-N 455.992 5.700 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CCOC(C)(C)C)C1=O 746698063 SYEQGSDDUSSURX-HXUWFJFHSA-N 490.025 5.124 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 746698177 WORMJCVRAWQGMZ-LJQANCHMSA-N 459.999 5.115 30 20 JKED N#Cc1ccsc1C(=O)OCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 748103984 SHGAOPDFYIKMRN-UHFFFAOYSA-N 477.542 5.273 30 20 JKED N#CC1(c2ccccc2)C/C(=C/c2ccc([N+](=O)[O-])c(O)c2)C(=O)/C(=C/c2ccc([N+](=O)[O-])c(O)c2)C1 748147908 KTRDPBSKMDADBU-DIEJBQTFSA-N 497.463 5.206 30 20 JKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(N2CCOC2=O)cc1 748583833 IRWLZDCOPYYXKT-GDNBJRDFSA-N 453.473 5.531 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 750685664 AUFYZBRDRHDVAQ-REWPJTCUSA-N 492.620 5.489 30 20 JKED C[C@@](C#N)(NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2)C1CC1 791688592 GFGUBWHHCIZARR-GGWDLJNASA-N 471.582 5.138 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C3CC3)CC2)c(C)c1 837423534 HLDXIXHVZACIKV-XMMPIXPASA-N 494.636 5.030 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 837425471 PBFNMZFFVXGVOA-FDDCHVKYSA-N 476.577 5.559 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 837786732 DVWABMHHAKFQSJ-QVKFZJNVSA-N 482.968 5.596 30 20 JKED CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)C2)ccn1 856629741 FKVSEALTBWIPRS-HSZRJFAPSA-N 490.991 5.144 30 20 JKED CC(=O)Nc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2Sc2ccccc2C#N)C(C)C)c1 877353466 RBOYJOOXOVCECZ-VWLOTQADSA-N 487.581 5.488 30 20 JKED Cc1ccc(S(=O)(=O)c2ccc(NN=Cc3ccccc3OCc3ccncc3)cc2)cc1 914691332 BUAUAEZCPFNMMN-UHFFFAOYSA-N 457.555 5.248 30 20 JKED CCOc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)cs2)cc1 914991499 ISEXBZFYNCQSBB-GOSISDBHSA-N 463.559 5.009 30 20 JKED CC[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)n1nnc(-c2ccc(Cl)cc2)n1 915086908 YFJJMXOSOMAHOS-PKTZIBPZSA-N 456.937 5.239 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 915087858 XQPINTPTHGDBMP-JOCHJYFZSA-N 468.582 5.021 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 915101620 JEQKKQFWEBYCAF-LJQANCHMSA-N 487.071 6.587 30 20 JKED N#C[C@H](C(=O)CCCc1nc(O)c2ccccc2n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103617 ZKFMOYRDTKSXRW-FZHKIGMJSA-N 472.614 5.459 30 20 JKED COc1ccc([C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC(C)=O)cc1 915103624 ZMQZOBWSXLDTIF-UYAOXDASSA-N 488.396 5.569 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1cccc(C(F)(F)F)c1 916204927 KMQRLKGYHVDFME-OAQYLSRUSA-N 498.530 5.303 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/SC(=Nc3cccc(C)c3)NC2=O)cs1 917562729 JCYHHLMSDNTRIN-YBFXNURJSA-N 452.536 5.167 30 20 JKED N#Cc1c(CCCNC(=S)Nc2ccccc2Oc2ccccc2)nn(-c2ccc(F)cc2)c1N 917574510 JZRZFOSONZNWTC-UHFFFAOYSA-N 486.576 5.177 30 20 JKED CC(C)(C#N)C(=O)OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 919350516 WRFBSFJIQSUMNS-UHFFFAOYSA-N 453.951 5.090 30 20 JKED Cc1cccc(-c2nnc(S)n2CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 919894039 YHTPFFPIQOXHOY-UHFFFAOYSA-N 455.543 5.153 30 20 JKED Cc1cc(Sc2ccccc2)ccc1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 919895569 IHKNOBZHLJLJIU-UHFFFAOYSA-N 493.654 5.384 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O 920169496 FZKINGVSZVYWFZ-HXUWFJFHSA-N 497.573 5.054 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2c(C)noc2C)c1 920356659 RHZDYSXOSBDYKZ-HSZRJFAPSA-N 492.601 5.023 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc1 920854961 UECGEFPJOGBYHD-FQEVSTJZSA-N 457.331 5.747 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C)cc(C)n2)c1 920963499 BCBUTMAXVFUYNF-UHFFFAOYSA-N 491.400 5.034 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)CCC2)cc1 1786366572 HGRWSNMQZJFDSX-MHZLTWQESA-N 489.660 5.158 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3Cl)CCC2)cc1 1786678141 LRABMLSHSASUPR-UHFFFAOYSA-N 450.391 5.055 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5ccc(Cl)s5)cc4)CCC3)c2c1 1787328556 YFMCMYYMECWHJS-UHFFFAOYSA-N 475.961 5.211 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4)cc3)CCC2)c(Cl)c1 1788461725 RVQUSKWRXSCICY-UHFFFAOYSA-N 469.932 5.101 30 20 JKED Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)s1 1788866207 JPHXQPYCXVZWQC-UHFFFAOYSA-N 495.402 5.147 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)c[nH]5)CCC4)cc3)cc2n1 1789220448 SYMLXJIKZOASFX-UHFFFAOYSA-N 483.959 5.458 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1789491718 MEPKPEKVVUDNCS-DKUDOZJNSA-N 458.558 5.153 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c(C)n1 1789508169 SRVDHOCCZAVXMI-UHFFFAOYSA-N 461.682 5.497 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c(OC)c1 1790234486 QWVDZCYSPPIUKU-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4C(F)(F)F)CCC3)cc2)c1 1790764732 IATXWFUGSLDMSQ-UHFFFAOYSA-N 482.437 5.173 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3occc3Br)CCC2)cc1 1791299607 RBOCDBDUWMGWQP-UHFFFAOYSA-N 453.283 5.001 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)C4CC5(CCC5)C4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681450 VAGZMXPSEPKKFX-QHCPKHFHSA-N 493.648 5.266 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)n4cccc4)cc3)CCC2)cc1C#N 1791791084 IUTPMXPIVSXSRO-FQEVSTJZSA-N 470.573 5.156 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1F 1792123874 DYVMXXZFLKWUGI-IBGZPJMESA-N 485.559 5.452 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3occc3n1-c1ccccc1)C2 1798333642 CWFPQURCRDHDPH-MALNDZBISA-N 457.574 5.244 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CCCC1)C2 1798593328 DLGSTYRBVFYQIX-BJESRGMDSA-N 489.701 5.091 30 20 JKED CC(C)n1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)c(C(F)(F)F)c1 1799302820 QEZVYMLNJRDZKL-BJWYYQGGSA-N 492.929 5.178 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(C)C)c(C#N)c2)C3)cccc1C(F)(F)F 1803839816 DJLRZYBAJXMSEJ-WKCHPHFGSA-N 499.533 5.238 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)CSc2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1806606842 COEMSRXWNPFMNU-WGHVJBFBSA-N 497.664 5.077 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808418666 GANUGTQOHAUIED-RBFPLYSUSA-N 495.604 5.055 30 20 JKED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1809292911 HLLOBUGMLZXGGV-UHFFFAOYSA-N 486.999 5.497 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CSc2ccc(C)cc2)[C@@H]1c1cccnc1 1809469637 GEQBYPJFXXNWEP-DHLKQENFSA-N 465.663 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1810183448 VQIZUAFLVRGVPX-GTNKKZTPSA-N 491.701 5.488 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1813864352 ZUDNVXUVIREYDE-BUUDZMLXSA-N 458.606 5.021 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)[C@H]2c2cccnc2)c2ccccc12 1814300234 PSMAPKNSUTZRCU-MXSCXNJPSA-N 489.685 5.136 30 20 JKED CO[C@](C)(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](S)C(C)C)[nH]n1)c1cccc2ccccc12 1814406522 FTDCOBALAWIXBQ-DPPGTGKWSA-N 494.661 5.071 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCC(C(F)(F)F)CC3)n[nH]2)cc1 1815525098 KAOJDYPVFOTROV-CNBHCMJISA-N 487.526 5.150 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)s1 1816353461 CMKOGIKIYOFHPM-SFHVURJKSA-N 498.406 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1819309602 XSYSLEZETFSAJY-GGAORHGYSA-N 464.610 5.661 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1819386930 PGTHGJLYJCBNNC-JOCHJYFZSA-N 476.653 5.513 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819965296 FRUIPALSXJAHKF-LBPRGKRZSA-N 463.337 5.295 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820229669 VEYJHMGOYROYGX-FXAWDEMLSA-N 460.987 5.070 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)[nH]n2)c1 1820486768 DQIFEJQRBSXTKC-HXUWFJFHSA-N 486.334 5.347 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)[nH]n2)cc1 1821179320 AQZMVYCNANVDOU-AREMUKBSSA-N 490.567 5.157 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821278560 SLNIQYHNKUEWLG-QMUTUGEISA-N 477.952 5.246 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)C(C)(C)C#N)CC4)ccc21 1821425357 ZKLOENKDJDAZFL-KRWDZBQOSA-N 485.613 5.046 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccccc3c2Br)n[nH]1 1821534711 LMJPTUOKGVZLQY-IBGZPJMESA-N 494.393 5.181 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821928957 QDJFPMKGLVZUDQ-UGSOOPFHSA-N 452.452 5.086 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)[nH]n1)c1ccc(O)cc1 1822465465 SZZVTFGCQFQKMX-RRPUWOKSSA-N 498.574 5.130 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cccc2OC)n[nH]1 1823252217 WXJDXQOSEWGEPC-SFHVURJKSA-N 458.990 5.370 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824056097 PCZADLXWIOIACA-SANMLTNESA-N 494.035 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824137780 ONQOJBRBNURDIG-MUUNZHRXSA-N 494.676 5.436 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c(F)ccc(F)c2F)CC1 1824797004 LTXAWSCCIOSQJK-JOCHJYFZSA-N 464.572 5.259 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1 1827331530 ONSPCIWZYCDTHX-AOYPEHQESA-N 479.690 5.245 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2C(C)(C)C)CC1 1828825227 UWMIIWYDYSYPLO-ISKFKSNPSA-N 451.655 5.381 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1)c1ccccc1 1828995436 DKFKPWQBWBXUMG-IWWXAFGGSA-N 477.649 5.148 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sc(N)nc3c2)CC1 1829067031 AJMMPSLZVNHXCQ-OAQYLSRUSA-N 468.667 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1829068497 AHJQABHVIKOQRK-HHHXNRCGSA-N 473.661 5.974 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c1 1829446680 XLFMWWNGKNZOEA-JTSKRJEESA-N 470.038 5.576 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)c1 1829955538 VHUSAODAOHHYNQ-MUUNZHRXSA-N 465.597 5.187 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1830073395 SSZZDKAWUHFHLT-KDYSTLNUSA-N 457.618 5.423 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)c(Cl)c1 1830722427 IHZWFLAFLAXUGZ-HXUWFJFHSA-N 460.361 5.005 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1830765540 RQCRVMMXUNREAN-RUZDIDTESA-N 481.999 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830771636 FRKBXAZHCCOQBJ-ZEQKJWHPSA-N 470.629 5.615 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4sccc4c3O)CC2)c1 1830959572 SDWKJXXRJXYRKG-QHCPKHFHSA-N 491.588 5.165 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978790 WSCGHKQAKWXMCY-AREMUKBSSA-N 485.628 5.855 30 20 JKED Cc1cc(C)n2ccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2n1 1831052765 IPDHGOTVXWOGSC-NFQMXDRXSA-N 497.643 5.125 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1831374314 NPGISMGVJPGISS-CVDCTZTESA-N 461.046 5.573 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831775649 FTACNPNBNZXIDL-NRFANRHFSA-N 487.666 5.299 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1 1832632787 VNQCASJGVZERJW-LYZGTLIUSA-N 480.612 5.409 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1837685071 ZXUGIYQTURLTOF-HOFKKMOUSA-N 482.709 5.807 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(CC#N)cc4)CC3)CC2)s1 1838163179 FWWKZNMZRFGBIY-UHFFFAOYSA-N 493.673 5.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(CC(C)C)oc2ccc(OC)cc12 1847265561 QUPXCJQLNIEBQN-VXKWHMMOSA-N 466.622 5.448 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179794 GNWRJQCRSJCRJX-UHFFFAOYSA-O 489.661 6.317 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(CC)cc2)c1C 10831662 MKECMOKBWAXKGL-UHFFFAOYSA-O 485.029 5.362 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccc(C)c(F)c1 11082863 IOFPXVFTMGYNIC-UHFFFAOYSA-O 472.403 5.797 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(CC#N)cc3)c2)cc1Cl 15028893 ZGBDSIPOMAHVKL-UHFFFAOYSA-N 474.369 5.421 30 20 JKED N#CCCN(C(=O)CSc1nnc(Nc2cccc(Br)c2)s1)c1ccccc1 16543095 XIAAFDYVGSNMLV-UHFFFAOYSA-N 474.409 5.083 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc3c(c2)CCCC3)s1 22728274 IPWPWDFHNJXWCH-UHFFFAOYSA-O 456.056 6.236 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 29204983 DTFUXAUNFJNWOT-UHFFFAOYSA-N 459.333 5.527 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)c1 31702254 SSBVOMFQPRZWAO-INIZCTEOSA-N 485.407 5.543 30 20 JKED N#Cc1c(CCCNC(=O)c2oc3ccccc3c2COc2ccccc2)nn(-c2ccccc2)c1N 33022509 OYBDVESWMXQFPA-UHFFFAOYSA-N 491.551 5.014 30 20 JKED Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Br)c1 97543256 BHMUATIGWOEXGE-QGZVFWFLSA-N 464.363 5.647 30 20 JKED O=C(/C=C\c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1cccc(N2CCOC2=O)c1 208087904 MBJYCMIRRMXLHT-KKMIYCERSA-N 459.342 5.411 30 20 JKED Cc1nc(NC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)sc1SCC#N 303001824 ZSLQPCALHAHIAR-KRWDZBQOSA-N 474.405 5.589 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1[N+](=O)[O-])c1ccccn1 303231013 XUKJLZWLOYUKFB-LJQANCHMSA-N 493.523 5.866 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 303320496 UAZUHCOJEWBDMA-ZDUSSCGKSA-N 450.511 5.406 30 20 JKED COc1cc(C)c(C(=O)/C=C/c2cc(Br)c(OC(F)F)c(OC)c2)cc1OC 303381391 WBMXYPMFBOOEAH-AATRIKPKSA-N 457.267 5.281 30 20 JKED COC(=O)c1occc1CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)c1ccccn1 483561412 YVJAMZCUMMQGFK-LJQANCHMSA-N 481.508 5.529 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483631241 DMIQPDOLCZXADR-HXUWFJFHSA-N 468.557 5.098 30 20 JKED COc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC1CCCC1 491567245 FJROGJCEICLZBG-UHFFFAOYSA-N 485.584 5.983 30 20 JKED COc1ccc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Br 496119520 MUSIEVYUGJUHRD-QGZVFWFLSA-N 481.394 5.343 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)c1C 501547153 SDABAYYBTFMQPW-QFIPXVFZSA-N 496.636 5.662 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(C)c3C)n2CC(C)C)cc1 501610332 ZPEOUSWNXJWZDQ-UHFFFAOYSA-N 477.634 5.266 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccco1 502713069 VBFNBDHAELUWQJ-QGZVFWFLSA-N 477.615 5.531 30 20 JKED CC[C@H](C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1 504315916 YFDLBFGRUKCVND-ZWKOTPCHSA-N 451.571 5.483 30 20 JKED C=CCc1cc(CNC(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)cc(OC)c1OC 509682150 FFTXHLUDZFBMET-IBGZPJMESA-N 491.451 5.573 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc2sccc2c1=O 512515199 SUBMWDBIUGAARO-UHFFFAOYSA-N 451.360 5.293 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1OCCOc1ccccc1 513686541 AYPGALKWFJVACE-HXUWFJFHSA-N 458.539 5.643 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 513938143 OVXMEJVGSBMIEG-VWLOTQADSA-N 472.520 5.049 30 20 JKED C[C@@H](c1ccccc1)n1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccccc1 515488609 FAMIFSJYVRDIFA-VQTJNVASSA-N 459.619 5.378 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccccn2)nnc1-c1ccc(Cl)cc1Cl 516209409 WKMMYYUFYSOACI-IBGZPJMESA-N 474.417 5.289 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)cc1 516270227 QDTPHYNCPGBKGG-FQEVSTJZSA-N 490.466 6.378 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 517795670 KMLREGUCIUZETI-JTQLQIEISA-N 473.004 5.604 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)c1 518741809 KXXVLABSSSTFMH-OAQYLSRUSA-N 454.530 5.542 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 518758600 BVEDUTXGYNBTRI-GFCCVEGCSA-N 452.893 5.341 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1Cl 518857885 IIDMLTMLRSAUPJ-DEOSSOPVSA-N 453.929 5.458 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)cc2)cc1 519080406 AJSYFBZMZQPFNF-XMMPIXPASA-N 487.968 5.910 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1 519170721 YOMBBNIWZOLKBA-HSZRJFAPSA-N 484.516 5.323 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 519485298 RPRJULMZGVHJKQ-WHSLLNHNSA-N 474.388 5.156 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)c4cn(CCC#N)nc4-c4ccc(C)c(C)c4)CC3)c2c1 521304913 RJYWBVIXCXVWNQ-UHFFFAOYSA-N 481.600 5.590 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 521734684 QOGSGUDCLGFJCW-UHFFFAOYSA-N 475.517 6.277 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4)nc4onc(C)c34)n2)cc1 523229762 AFGRLACZRNAOCB-HXUWFJFHSA-N 466.522 5.820 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCc3ccc(COCc4ccccc4)cc3)o2)cc1 524384647 LUNQULGBPMMAPT-UHFFFAOYSA-N 452.510 5.377 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524422300 INPICLJEIBSAJL-WTYVLRPYSA-N 481.596 5.384 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)cc1 524460144 CSGKAMYPAHMEDL-QHCPKHFHSA-N 471.532 5.076 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)n2)cc1 583888505 PEDQYDGUXCSRLY-QFIPXVFZSA-N 465.582 6.003 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CNC(=O)C4CCCC4)cc3)n2)cc1 590209109 VQWGKFYNFWTOTD-QFIPXVFZSA-N 459.571 5.115 30 20 JKED N#Cc1c(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)sc2c1CCCCC2 603750133 GYBMBGRRMTWTAC-UHFFFAOYSA-N 484.375 5.749 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 603803138 IVNRYHHFHYIZHY-VWNXMTODSA-N 455.949 5.640 30 20 JKED Cc1nn(Cc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)c(C)c1[N+](=O)[O-] 603846214 DKAQPHBVSJKVQI-QGZVFWFLSA-N 465.922 5.210 30 20 JKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604026443 IHPXWMPSIXXMSC-OAHLLOKOSA-N 466.946 5.910 30 20 JKED CCCCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604160806 VUNLENAGAHJXOI-UHFFFAOYSA-N 476.964 5.556 30 20 JKED O=C(CSCc1ccc(Br)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604517480 YIPHMPIXQYZGSJ-QWRGUYRKSA-N 496.286 5.847 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(Br)c4)C3)cn2)c1 604533181 LRUGILRIJSLUBW-NRFANRHFSA-N 479.334 5.113 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C(C)C)s1 608925598 PRHSXOXXBHICJJ-UHFFFAOYSA-N 455.587 5.414 30 20 JKED CCC[C@H](Cc1ccccc1)N(CCC)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 608952780 IHNAJYXEKUIMFA-HSZRJFAPSA-N 474.605 5.673 30 20 JKED CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079658 GBSNIFAGRNWABD-UHFFFAOYSA-N 462.962 6.064 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(Cc4cccs4)CC3)cc2Cl)c1 609080634 QJZBQFVMIXTCKC-UHFFFAOYSA-N 466.994 5.202 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H](C)c1cc2ccccc2o1 609089438 QEYWFXSNYADJMM-HXUWFJFHSA-N 481.552 5.740 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)cc2F)c1 609103800 BGBWLUVUWPQTTQ-UHFFFAOYSA-N 492.557 5.228 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 609377897 QSEJSZSOLZYEDK-SFHVURJKSA-N 465.600 5.016 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 609382729 RCAZQEWXUHKLGE-KRWDZBQOSA-N 451.621 5.373 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 609403059 PJINCPRLFBGIJO-AWEZNQCLSA-N 483.947 5.360 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433713 DGQNYJZUHARWFB-UHFFFAOYSA-N 450.489 5.224 30 20 JKED C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)C[C@@H](C)O1 609437117 QBHCMBPKJRQECB-VAMGGRTRSA-N 452.624 5.012 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCC(Oc2ccc(F)cc2F)CC1 612804805 XKGCMJXUUQOMCS-RYUDHWBXSA-N 474.392 5.427 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc2ccccc2n1C(F)F 613401955 UXFKCMVDGSOJQF-LJQANCHMSA-N 451.860 6.154 30 20 JKED CC(C)(C)c1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n(-c2ccc(F)cc2)n1 618541769 ITIPPRNXQBGCAO-STQMWFEESA-N 480.428 5.904 30 20 JKED C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619385821 LFXWWRQCWQGWTL-SDDRHHMPSA-N 466.344 5.245 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c12 642156943 CUYNKWFCJWWYTB-NHAGDIPZSA-N 489.391 5.977 30 20 JKED Cc1nc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)nc2ccccc12 726397126 GXUBEPUWEKGERY-HSZRJFAPSA-N 499.571 5.238 30 20 JKED Cc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C)n1C[C@H]1CCCO1 726626580 IIOKPGCSTKITPM-DZZWEGAPSA-N 458.008 5.215 30 20 JKED N#Cc1cccc(COc2ccc(NCc3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2Cl)c1 728051708 DBITXRRYYIOWOD-UHFFFAOYSA-N 461.865 5.361 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCCCC#N)C2=O)cc1Cl 728778653 UDHZURPWIDXOGJ-FQEVSTJZSA-N 488.972 5.142 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 729634213 JMUBHVXACSOODB-QFIPXVFZSA-N 496.995 5.021 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(C(F)(F)F)c1 729657238 LCRSKCOEKMLRGF-UHFFFAOYSA-N 452.326 5.861 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(CCc3c(C)noc3C)C2=O)cc1 730442979 AZLLSZGNNBCBJL-QHCPKHFHSA-N 476.602 5.111 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2c(C)noc2C)cc1 730444474 MVSVLZPLUXBWKV-HSZRJFAPSA-N 476.602 5.111 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)ccc1F 730543694 PDOYQOQZSGCLNG-DEOSSOPVSA-N 475.520 5.746 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cocn2)cc1 730712778 OEVDWGSVBDSNMJ-NRFANRHFSA-N 484.528 5.237 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(Cl)c2)o1 730720402 QJQWMSIFNQHBFG-HEFCMCLBSA-N 495.992 5.007 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(C2CCCC2)C1=O)Nc1cnccn1 730728141 YZVNAHYVTUOJRT-QFIPXVFZSA-N 471.586 5.047 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 730945067 LROQNRPSFWGILN-MHECFPHRSA-N 470.598 5.292 30 20 JKED O=C(Oc1c(F)cccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 730958445 UMWXDJDKGZAACR-UHFFFAOYSA-N 453.701 5.375 30 20 JKED Cc1nn(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c(C)c1Cl 731065062 YNNXYMMDZSDOCL-OAHLLOKOSA-N 482.993 5.190 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)s2)n1 731075482 CBQAYRIWBOVZDE-ZDUSSCGKSA-N 492.047 5.644 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O)Nc1cccc(O)c1 731303794 BIXVUEHTKLQVNA-DEOSSOPVSA-N 482.565 5.101 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cscn2)C1=O)Nc1cccc(O)c1 731304152 KHMCSJIWSSIZDO-QFIPXVFZSA-N 488.594 5.162 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)s1 731308126 XGLQNHHDBRYNHE-NRFANRHFSA-N 465.600 5.177 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CCC2)c(Cl)c1 731309380 RVRHDDUTCFVYFD-IBGZPJMESA-N 457.983 5.175 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 731400606 RCSSMZQQVGMKDP-SBHAEUEKSA-N 472.655 5.724 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)c1 743526206 OSISBUYIBVKEAF-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S 746056295 YLYFOYLOCVKAID-NRFANRHFSA-N 467.664 5.309 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(CCOC(C)(C)C)C2=O)cc1 746697659 JCLDJTOEKNQLNE-HXUWFJFHSA-N 475.561 5.049 30 20 JKED CCCN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747000666 YXSLMZNUYPYNKZ-HSZRJFAPSA-N 490.401 5.482 30 20 JKED C[C@@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)Nc3cnn(CC#N)c3)c2C1 747434444 MRVIBCNDZZUMBO-DSPRMBBKSA-N 476.584 5.396 30 20 JKED CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747873585 HVTNVSVOWQAZQA-SQHAQQRYSA-N 494.620 5.380 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1 750392796 SYUXJMPOVDZJRU-HNAYVOBHSA-N 467.982 5.009 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1Cl 750395759 REMOHVQHPPJNRF-LJQANCHMSA-N 455.297 5.755 30 20 JKED N#CC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)CCCC1 786751261 CDEDXNJCYOYRCU-UHFFFAOYSA-N 494.016 5.302 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H](C)c3ccccn3)C2=O)cc1 837301975 NQFYEJJZVXZTCW-HXOBKFHXSA-N 492.576 5.341 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 912786243 DNULQIQWZIJSFC-UHFFFAOYSA-N 472.551 5.952 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2sccc2C)cc1 914549734 HRRHFYVCFWKQBA-FQEVSTJZSA-N 483.590 5.365 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915102035 QBQYJXDJSUXJPR-SFHVURJKSA-N 478.986 5.591 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2ccccc2n1C(F)F 915104573 SCQBGBPXTIACSR-MAUKXSAKSA-N 477.298 5.219 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 915179139 ADIHDJBTEPSPDU-QHCPKHFHSA-N 488.410 6.409 30 20 JKED Cc1sc2nc([C@@H](C)OC(=O)c3ccc(OCc4ccccc4C#N)cc3)nc(O)c2c1C 915512293 RNTYZNLTPMMLCB-OAHLLOKOSA-N 459.527 5.382 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC2)C1=O 916214603 POGOAVOKPIUJAZ-GOSISDBHSA-N 464.374 5.125 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(OC)cc2)cc1 916215468 WKJKOFXTFSSOEY-HSZRJFAPSA-N 493.560 5.003 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccco2)C1=O 916216647 YAWFNJSGSWUFMV-NRFANRHFSA-N 483.977 5.411 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cccc(C(F)(F)F)c1 916217141 GHZBJNGRNUGDIW-IBGZPJMESA-N 495.523 5.093 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CC2)C1=O 916217631 SFZVHBAFKRHTAV-GOSISDBHSA-N 464.374 5.125 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(N5CCOCC5)cc4)c23)cc1 916357353 MGGAEHQBCAWVDA-UHFFFAOYSA-N 459.575 5.040 30 20 JKED COc1ccc(/C=C2/N=C(SCC(=O)[C@@H](C#N)c3ccccc3)N(c3cc(C)cc(C)c3)C2=O)cc1 916622816 MYARUDOZNXKXSK-IPACTHBOSA-N 495.604 5.665 30 20 JKED O=C(Nc1ccccc1SC(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 916698697 BLVYZVMPIZPXIO-RKDXNWHRSA-N 454.358 6.330 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 916715440 QTMMDCBDUHUILD-JIQALNGASA-N 497.020 5.064 30 20 JKED Cn1c([C@@H](C#N)C(=O)CSc2ncnc3scc(-c4ccccc4)c23)nc2ccccc21 916843919 SWQHAWWKTYEHBP-INIZCTEOSA-N 455.568 5.214 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)cc1 916914935 ZINSQNRDCKOMFZ-HXUWFJFHSA-N 471.586 5.309 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916915748 IKUGSZZHPBWLJI-NRFANRHFSA-N 450.454 5.453 30 20 JKED N#C[C@H](C(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc2ccccc12 916917417 GVHXXVHWIUAWJN-RUZDIDTESA-N 450.494 5.145 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 916955699 SYOIOAQJBCOBDH-YWZLYKJASA-N 451.979 5.867 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 916972567 NWURKKYDFOYGKG-RPWUZVMVSA-N 465.578 5.856 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995784 HOFFLGSWPOHTDB-KRWDZBQOSA-N 492.815 6.157 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2cccc(CO)c2)C=C1 917613668 MDNNFMYCAJYZHI-UHFFFAOYSA-O 490.649 5.320 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](c1ccccc1)C1CC1 917702585 GFWWKNTZUOBPAZ-AOYPEHQESA-N 480.593 5.670 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1 917805451 RUVMUEHGSZLGOQ-SOYKGTTHSA-N 497.642 5.417 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 918322695 JQYLACLJYBVMPK-NRFANRHFSA-N 463.990 5.548 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCc2cccc(C)n2)ccc1Cl 918344286 NGYRNFYCJQOXRV-UHFFFAOYSA-N 490.412 5.008 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 919863905 APRNAFPALFYOEE-XDHOZWIPSA-N 471.629 5.027 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1 920083065 IVFUINLEHWPMJK-YYADALCUSA-N 491.038 5.242 30 20 JKED N#C[C@@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 920112704 HLSOILOBIRAELE-AWEZNQCLSA-N 480.393 6.010 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1c(C(C)C)cccc1C(C)C 920358782 BFVFAUOZYXUSRB-JOCHJYFZSA-N 482.650 5.339 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920806244 JBAQIQHXTWWFCZ-MRXNPFEDSA-N 469.513 5.854 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(F)(F)F)CCC2)cc1 1786103851 JLHKMYGGNXZPEG-UHFFFAOYSA-N 457.496 5.617 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@H]3OCCc4ccccc43)cc2)CCC1 1786313358 AMUSYCXJFJXHJY-JOCHJYFZSA-N 454.517 5.036 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(F)c3)cc2)CCC1 1786326994 GJPJKBRNQBPKGE-UHFFFAOYSA-N 466.887 5.203 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CCC2)cc1 1786362725 VNFTWOCUTSEHBL-RTBURBONSA-N 486.534 5.067 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccnc(C(F)(F)F)c3)cc2)CCC1 1787211522 HXXDQVUGABZATR-CMDGGOBGSA-N 499.514 5.349 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc(F)cnc3Cl)CCC2)cc1 1788650868 YXTMLXUDJXFTJD-CMDGGOBGSA-N 483.952 5.122 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789154823 SQUFGJXSACRFEB-UEZWSEHTSA-N 479.024 5.049 30 20 JKED COc1ccsc1C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1789928325 LUWCOPHMPBAGKB-UHFFFAOYSA-N 459.571 5.009 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)CCC2)cc1 1791579901 QBOJRTAOYFQVLJ-KPOBHBOGSA-N 473.436 5.005 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(-c5nccs5)noc4c3)CCC2)cc1 1791583675 YGDACZQKGCPFBR-UHFFFAOYSA-N 484.581 5.503 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)CCc3cncc(C(F)(F)F)c3)cc2)CCC1 1791772696 ZUXFVMSDURPHGE-OAQYLSRUSA-N 479.568 5.122 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)c4cccs4)cc3)CCC2)c1 1791816171 NDHXQKODKKTMQH-KRWDZBQOSA-N 459.571 5.180 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5cccc(F)c45)CCC3)cc2)c1 1792127289 VCAHFFZASIQLOU-KRWDZBQOSA-N 481.531 5.391 30 20 JKED CC(C)C[C@@H](C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1)N(C)C(=O)OC(C)(C)C 1792343301 JFPGTLWSNOVESD-QFIPXVFZSA-N 496.652 5.096 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)c(F)cc3nc1Cl)C2 1798592073 CZMUPBCZVQBNNN-BJWYYQGGSA-N 475.967 5.411 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)sc2Cl)c(Cl)c1 1798983668 DNVIQSZFXCFUFH-CLLJXQQHSA-N 468.793 5.146 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)cc1 1800543749 ZRWXZJQBGFJRKY-NUNAXRQHSA-N 494.620 5.528 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1803087840 FKYPHEBDJQGVDI-AOYPEHQESA-N 477.674 5.265 30 20 JKED CC(C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1803217658 JACVAIOBQPAFQO-BKHJTQGXSA-N 494.639 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2ccc(F)cc2F)[C@H]1c1cccnc1 1803484720 ATQLGXDQBQVQGG-NTKDMRAZSA-N 487.616 5.150 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1804175256 IQPRFEALNRYCMH-OFVILXPXSA-N 498.092 5.172 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)C3)[C@@H]1c1cccnc1 1810500560 STPHYQXNROZIJM-LADGPHEKSA-N 475.633 5.107 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1811418963 DGQHMOORAURLKV-ATIYNZHBSA-N 493.051 5.533 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813868056 KAUIAIQAYKVPPA-GJJMEYSYSA-N 480.612 5.465 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1813971422 QIRKSWBRPYMSMP-JXHRLWIKSA-N 489.513 5.328 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813972462 FGZGTIQGYZQHIL-AUUYWEPGSA-N 486.321 5.059 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1814738444 DTHOZINGJKCBDP-IBGZPJMESA-N 489.626 5.496 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)[nH]n1 1814824087 KSJCJSVIZRNFND-RUZDIDTESA-N 492.620 5.232 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCCC2(F)F)n[nH]1)c1ccc(O)cc1 1815353124 OOHVCYAXDULOBY-KJXAQDMKSA-N 498.574 5.130 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)s3)n[nH]2)cc1C#N 1816400213 DRDGUMQOINAVFF-SFHVURJKSA-N 498.008 5.403 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3cc4ccccc4o3)sc2C1 1818635439 NIKQOBAYQRRQBM-FFZDDMFNSA-N 461.587 5.283 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)[nH]n1 1819307216 QAHJAUFFVZOGSW-APWZRJJASA-N 465.579 5.201 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)[nH]n1)c1ccccc1 1819515997 FCKNOQKSUJWMDJ-UNMCSNQZSA-N 487.629 5.247 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNc2ccccc2C)[nH]n1)c1ccccc1 1819518000 DBTAVKXUTLHYCH-ZEQKJWHPSA-N 483.616 5.020 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCC3)n[nH]2)cc(C(F)(F)F)c1 1820903858 MNSYFQYBBANAPI-SHBDEGQCSA-N 485.510 5.352 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126908 BFBZVDYKFZFGRP-UGSOOPFHSA-N 499.921 5.189 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)c(OC)cc2C)n[nH]1 1821239090 YTJDJNURMNHJFI-HXUWFJFHSA-N 468.598 5.034 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c(Cl)c1 1821276102 DTCQNJWFJGAJJM-SFHVURJKSA-N 479.949 5.362 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821277090 FRNOUPNXUSOKCY-OAQYLSRUSA-N 465.916 5.002 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occc4c3O)[nH]n2)c(Cl)c1 1821277256 QJGJQDCAQXUGNU-HXUWFJFHSA-N 489.919 5.006 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c1 1821324032 IYWWJSBEBYNUBF-LJQANCHMSA-N 459.531 5.017 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1821929689 YHOPYBOWVZMGIG-SCLBCKFNSA-N 452.452 5.086 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1821987519 BERPYJOOGOXGCW-INIZCTEOSA-N 490.860 5.599 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(Cl)c1 1823216034 NGZDQDJURZLSSU-UZUQRXQVSA-N 475.980 5.618 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 1823286776 JTEOZXTUXLIJHR-CYFREDJKSA-N 473.577 5.184 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1)NC(=O)OC(C)(C)C 1823347255 XXFJYUANLXPDRQ-FCDUAZGNSA-N 499.656 5.008 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#Cc2ccc(Cl)cc2)CC1 1823644097 LVDRUHULNZEDDL-QFIPXVFZSA-N 485.049 5.085 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cn1 1823656305 YPBZFVQJYQQYCI-XMMPIXPASA-N 493.051 5.451 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1823676272 UCQZCAHGJQYCOT-SANMLTNESA-N 489.019 5.169 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1823811168 GVECEAGHQXJFGJ-MHZLTWQESA-N 487.644 5.212 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 1823975165 ZKKVJOBQLWOLAO-OEZBNPFGSA-N 499.076 5.564 30 20 JKED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1824495057 UQWBLLRLXUQMPD-AJTFRIOCSA-N 499.655 5.086 30 20 JKED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1824495062 UQWBLLRLXUQMPD-CUNXSJBXSA-N 499.655 5.086 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3)CC2)cc1C#N 1826370770 USPXQIWUKPXNME-MHZLTWQESA-N 487.644 5.212 30 20 JKED Cc1ccc(C2(C(=O)N3CCC([C@@H]4CCCCN4C(=O)C4(C#N)CC4)CC3)CCCCC2)cc1 1826685647 SGHHYAKIKHBBKT-VWLOTQADSA-N 461.650 5.120 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1826948197 UAUFPTSEXWICMU-QDPGVEIFSA-N 477.693 5.439 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c[nH]1 1827680288 QPDYSJLHCKEJCE-GLCJEOIMSA-N 481.662 5.046 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828508457 IAOWYXMJSKLMQH-GAJHUEQPSA-N 491.554 5.011 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc4c3CCCO4)CC2)c1Cl 1829688567 BRCPZZWDHWUXOK-QFIPXVFZSA-N 498.048 5.145 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)c1 1829775786 SGAZXLWBHYCRQG-OAQYLSRUSA-N 492.929 5.106 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1830392034 ASFFUMGLCAENMR-XZOQPEGZSA-N 491.717 5.292 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830417811 IJCDYSQSVLRMTJ-PWUYWRBVSA-N 499.655 5.121 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830653812 FOPSMNCSSCDMGJ-MGPUTAFESA-N 486.415 5.167 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1830717677 YLBWQNJIHMEWHA-NDEPHWFRSA-N 496.586 5.306 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1831441682 ADPQVRSQZSGTCM-NRFANRHFSA-N 463.956 5.266 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)CC1 1831590443 SRKNUUCLWQIIHF-SDQWYYNMSA-N 452.639 5.321 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1831851712 SFNYFPGDEZDTHR-MHZLTWQESA-N 481.640 5.643 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832688080 LEBGMXPZNZXPSH-HXUWFJFHSA-N 450.957 5.045 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)cc1C#N 1832703296 JCCQOSQZDHDQFK-QFIPXVFZSA-N 483.996 5.139 30 20 JKED CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832704491 LXDDCSNBXYWTDB-DEOSSOPVSA-N 453.627 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1832737776 PMISIASJDSLBER-XMMPIXPASA-N 488.072 5.524 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1832747491 LTRNPJXESZRRNR-YKSBVNFPSA-N 467.654 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 1835814460 ZMGMVXUAYIGQNF-FQEVSTJZSA-N 474.089 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)CC1 1838264586 GQGGCIOWEMFMKO-BKRCECSGSA-N 476.617 5.213 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1838424239 XFXWPWOQUHZIKF-UHFFFAOYSA-N 495.491 5.906 30 20 JKED COc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3C(C)C)=C2C)cc1 10358282 XYZHPMFMMGIRSC-MHZLTWQESA-N 496.636 6.039 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 11158322 GQZQRNFYTWUZQQ-UHFFFAOYSA-O 487.215 6.344 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)n(C2CCCC2)c1C 12231109 FZIOLIHSPFJNCA-UHFFFAOYSA-N 468.768 5.847 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730850 JOWBCQAAKFZOGI-UHFFFAOYSA-O 465.642 5.856 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NCCc2ccccc2)cc1 22734843 WLWHCHPYRMZHLI-UHFFFAOYSA-O 458.434 5.614 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C#N 28491138 PPQIMXQGKUHHOU-SNVBAGLBSA-N 450.347 5.043 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 28793744 QBRJPRSSNQVVFX-UHFFFAOYSA-O 492.665 5.869 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@H](C)c1ccc2ccccc2c1 29840953 PDMYWHYTKZGLKC-GOSISDBHSA-N 476.577 5.305 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1[C@@H]1COc2ccccc2O1 32557085 MFSZQEISXNWGEQ-KUHUBIRLSA-N 490.507 5.115 30 20 JKED Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1F 78718973 KHPZOMSFSYDOJJ-FQEVSTJZSA-N 456.304 5.688 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1ccccc1F 215696096 HVMHVWFTPCTNEX-UHFFFAOYSA-N 466.563 5.473 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 303145337 FEONTZONWSBDBR-OAHLLOKOSA-N 498.402 5.027 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H]1c1ccc(OC)cc1 481691198 WGGBTXSCNHYBEJ-RDPSFJRHSA-N 465.619 5.226 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)[nH]c2c1C(=O)CC(C)(C)C2 487468724 FYGNMYWVGKWEEM-UHFFFAOYSA-N 486.519 5.668 30 20 JKED COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 495405727 BDGXBJYAKZCRSG-NRFANRHFSA-N 470.529 5.019 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1 497455239 TWMMQCMLPDLJSA-UHFFFAOYSA-N 498.608 5.054 30 20 JKED CC(C)n1c(SCCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 498022721 HPVAZHUNKYGJEU-UHFFFAOYSA-N 460.390 5.825 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(C4CC4)n(-c4ccccc4Cl)n3)n2)cc1 501284424 IASRGAIYQXBWCK-KRWDZBQOSA-N 459.962 5.720 30 20 JKED Cc1ccccc1-n1c(SCC(=O)NC2(C#N)CCC2)nnc1-c1ccc(Cl)cc1Cl 501916934 HJSOGNRJOCPBJQ-UHFFFAOYSA-N 472.401 5.204 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(COC4CCCCC4)c3)CC2)c1 502618732 KXXLXGZQZREHLS-UHFFFAOYSA-N 460.578 5.290 30 20 JKED O=C(NCc1ccc(F)cc1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502876201 HMSNSOSARQFOMZ-UHFFFAOYSA-N 466.744 5.027 30 20 JKED Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N(C)[C@@H](C)CC#N)n1C1CCCCC1 505123676 GZMCGDUOTPRZBZ-KRWDZBQOSA-N 476.046 5.177 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2csc(Br)c2)cc1 508275331 PIMPQSJLUAZPIT-UHFFFAOYSA-N 472.364 5.847 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 510872387 MQNKYAQCFAMXCP-UHFFFAOYSA-N 470.573 5.407 30 20 JKED COc1ccc2ccccc2c1CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511496736 IQIBVMOIUORZQT-UHFFFAOYSA-N 450.498 5.294 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3NC(=O)c3ccsc3)n2)cc1 512503895 MXFZGBANLHUICI-IBGZPJMESA-N 459.552 5.623 30 20 JKED C[C@@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(C(F)(F)F)cc1 512796973 LCOGJVKMOAPUIG-ZDUSSCGKSA-N 462.522 5.853 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 512845986 WPQNUYFUZCRKEI-UHFFFAOYSA-N 465.513 5.137 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccc(C(F)(F)F)cn1 513203172 YQUVHBWDAXVQOZ-GOSISDBHSA-N 478.257 6.150 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3sc(-c4ccccc4)cc3C#N)s2)cc1OC 515690238 IOISNJIFYJTHQW-UHFFFAOYSA-N 461.568 5.988 30 20 JKED C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1 515792869 XTGIVGVMYMNDFU-HXUWFJFHSA-N 460.553 5.324 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3s2)c(OC)c1 516558900 VPHIWSXYFQBPII-FQEVSTJZSA-N 480.549 5.656 30 20 JKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Sc4ccc(Br)cc4)cc3)CC2)nc1 517310530 XJWMBFHPLLAFJJ-UHFFFAOYSA-N 494.418 5.221 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 517800839 LKAAVDFXOQJXPS-QGZVFWFLSA-N 456.951 5.760 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 517877174 SMZWKRXVDYJNBN-UHFFFAOYSA-N 450.951 5.359 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 518168500 JILAVCFAXLRFHY-DLBZAZTESA-N 473.440 5.349 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)cc1 519027083 ADLUUGRDWOXCRC-UHFFFAOYSA-N 466.394 5.946 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H](C)C2CC2)c1 519085601 VSAPRMCQSZMKTH-KRWDZBQOSA-N 459.011 5.124 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 519485357 WAANOIAOLRJWPG-FQEVSTJZSA-N 452.345 5.120 30 20 JKED CC[C@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)Cn3nc(C)c(C)c(C#N)c3=O)sc2c1 520165495 FKZQWRRCYDFVFU-KRWDZBQOSA-N 485.613 5.088 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 520669384 UJCRTSOQWAIGCN-SFHVURJKSA-N 454.530 5.213 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Br)ccc1Cl 520835241 DHDBLIKPPJSDIZ-UHFFFAOYSA-N 463.706 6.379 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC1CCC(c2ccccc2)CC1 520848151 JEWHPCQZQSPIQB-UHFFFAOYSA-N 468.557 5.083 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3S[C@@H](C)CC#N)nc(O)c2c1C 521330584 SXRIXHRNGPUFGP-WFASDCNBSA-N 472.661 5.668 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 521700423 ABQCRBIQEIFLMC-AREMUKBSSA-N 469.585 5.566 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)cc2Cl)c1 524393089 NHZYAXBQEMYZBU-NRFANRHFSA-N 463.921 5.017 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2nccn2C)cc1 524439020 CIYDHPIVIKDGGY-SANMLTNESA-N 481.556 5.099 30 20 JKED Cc1cccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 524563174 DHOMTERFXKBQDL-IBGZPJMESA-N 459.571 5.294 30 20 JKED N#C[C@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 590207980 JHKFBOTYUFXMBC-HXUWFJFHSA-N 498.435 6.413 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 603689037 POBWPGSXMVPFCK-UHFFFAOYSA-N 498.530 5.884 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(Br)cc1C(F)(F)F 604085463 KRBMMUWYZBAOBA-UHFFFAOYSA-N 458.303 5.394 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)c2)c1 604085693 NQHXAUNNDKJGSA-NRFANRHFSA-N 452.436 5.626 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)cn2)c1 604222159 STXUHAQPROMELL-SANMLTNESA-N 476.536 5.174 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)nc4)cc3)o2)cc1 604241758 LVPMHBFLVBQGRL-UHFFFAOYSA-N 473.492 6.023 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1)c1ccccc1 604534758 HCVZUDYMFZMSHH-RUZDIDTESA-N 483.572 5.052 30 20 JKED COc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1OCc1ccc2ccccc2n1 609080586 IGANGZYMCRBIHX-GOSISDBHSA-N 452.514 5.577 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1Cl 609164223 JDRDSHNOROKRBW-OAQYLSRUSA-N 494.407 5.960 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)cn2)cc1 609206624 ZIIXRSDLJYVSFO-UHFFFAOYSA-N 466.501 5.207 30 20 JKED CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433793 GYFVIJSDMSSFKV-LJQANCHMSA-N 485.462 5.273 30 20 JKED CC(C)Cn1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2c1=O 613320209 UZIAQDGBWGAWIN-IBGZPJMESA-N 462.962 5.319 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613407491 VDEGJEIPSBCGOH-LJQANCHMSA-N 492.025 6.479 30 20 JKED O=C(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H](c1ccc(F)cc1)c1cccs1 618450381 MFLRKAFKIXGMOZ-LBTNJELSSA-N 468.438 5.156 30 20 JKED O=C(c1ncccc1C(F)(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518186 YAFWCYDLCPMLKP-AWEZNQCLSA-N 472.307 5.352 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 726321744 PMBUJGDLSRBRIU-QGSPLOBESA-N 465.638 5.493 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC(C)C)cc1 726416708 ZYVLLNYXWDAHMI-FQEVSTJZSA-N 489.519 5.086 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc3ccccc3o2)cc1 726570756 KTUPKJCTXPBAQR-UHFFFAOYSA-O 474.993 6.521 30 20 JKED CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)sc2C)s1 727989081 QJLMEQVBIFZZKV-UHFFFAOYSA-N 492.582 5.112 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCCCC#N)cc1 728779814 LVUYKAPKUARVLN-JOCHJYFZSA-N 464.591 5.048 30 20 JKED CCOc1ccc(OCc2nn(CN(C)[C@H](C)CC#N)c(=S)n2-c2ccc(Cl)cc2)cc1 728902911 XZURWNMURJGOTF-QGZVFWFLSA-N 472.014 5.226 30 20 JKED O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccccc1C(F)(F)F 728941641 GCOIDVOAVYSYSO-HNNXBMFYSA-N 460.296 5.296 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(Cc2scnc2C)C1=O 729146554 STOGNIAYHHDELE-HXUWFJFHSA-N 498.605 5.068 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 729561597 CXENVFPUIZEOAI-GOSISDBHSA-N 450.539 5.119 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1C 729632163 YSMXMCCQIOUOAR-HSZRJFAPSA-N 493.032 5.190 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccc3c(c2)CCCC3)c1 729670371 QATFPWQHSIPHMA-UHFFFAOYSA-O 485.585 5.437 30 20 JKED N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1 731290047 GZKKIDFSWUYAKQ-INIZCTEOSA-N 491.357 6.276 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O)Nc1cccc(O)c1 731303798 BIXVUEHTKLQVNA-XMMPIXPASA-N 482.565 5.101 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCOC1CCCC1 731308166 JQDGBANDISCUDX-DEOSSOPVSA-N 495.645 5.264 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2C)n1 731310731 ONGFDUYGSQRWLL-JOCHJYFZSA-N 495.004 5.218 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1C 731310749 OYKPVQWAZDSBFB-JOCHJYFZSA-N 495.004 5.218 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)s2)c1 731311312 AAADMUPBHFAYBO-OAQYLSRUSA-N 483.590 5.370 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(C)c2)cc1F 731312313 MUWVGVVTIKTFSF-QHCPKHFHSA-N 493.560 5.009 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C#N)c(Cl)c1 731315598 IWHNMXYDIDYMDY-NRFANRHFSA-N 485.009 5.314 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cc3ccccc3[nH]2)cc1 746695696 HCFRMDGGHYUMQW-QHCPKHFHSA-N 460.603 5.092 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3cc(-c4cccs4)on3)n2)cc1 747114109 BULZHQZDQAGFCU-KRWDZBQOSA-N 467.597 5.645 30 20 JKED COc1cc(C=NNc2cccc(C#N)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 767335466 FCELZHCXMNIQSC-UHFFFAOYSA-N 468.435 5.049 30 20 JKED Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4ccc([C@H](C#N)c5ccccc5)cc4)c3)cc21 771823271 JWHQZXDBNXBMQX-XMMPIXPASA-N 459.509 5.249 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc2ccccc12 799209673 ASQYDEAHVZMEIN-NRFANRHFSA-N 492.398 5.196 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O 837741418 XHTKSCKVHNHQMZ-HXUWFJFHSA-N 469.563 5.056 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 838298352 JZHLQVUXXOWGAT-MWTRTKDXSA-N 494.567 5.644 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc(F)c2)C1=O)Nc1ccc(F)cc1F 914772776 OFWOIQDAQBYPKA-NRFANRHFSA-N 469.488 5.264 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2ccccc2s1 915098248 NOQYNYHKPNYJKO-GJZGRUSLSA-N 458.370 5.332 30 20 JKED CN(C)c1ccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 915813632 OGWBRVZGDRNYBI-VWLOTQADSA-N 468.626 5.287 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccco2)C1=O)Nc1ccccc1F 916204223 AQIHYFQYQWRJPG-LJQANCHMSA-N 475.904 5.372 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 916206593 PPQMBVLHUPSGSX-QFIPXVFZSA-N 471.598 5.336 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 916904192 YDNLFQRYVNVEOH-QHCPKHFHSA-N 480.568 5.088 30 20 JKED N#C[C@@H](C(=O)c1ccc(CN2CCCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995738 DUUXWKSCPWTGJQ-IBGZPJMESA-N 484.408 6.119 30 20 JKED CC(C)Oc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 917675203 GZYMEPCTOMMHPP-JOCHJYFZSA-N 474.586 5.029 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc1 919214157 HKOJYCQVWYCYTN-RTWAWAEBSA-N 457.530 5.022 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)c(C)c1Br 920106451 ZJTNGMZDZAMBHI-LJQANCHMSA-N 475.346 5.247 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)n2)cc1 920108910 CDBBAWGVXKKRSA-IRXDYDNUSA-N 470.381 5.655 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(Cc4ccc(F)cc4)c3Cl)n2)cc1 920141963 JGPSUFWHAVIEIN-IBGZPJMESA-N 480.952 5.655 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cc(C)on3)C2=O)cc1 920353548 MKVXTEQXQYBONE-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2c(C)noc2C)cc1 920354887 IDZJOSFNRXLTTE-VWLOTQADSA-N 498.608 5.914 30 20 JKED CC(C)(C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Br)cc1 920806323 JUTSVRIZPRVFBV-CQSZACIVSA-N 461.331 6.005 30 20 JKED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806798 QAFQRYATWGTLNK-APWZRJJASA-N 483.540 5.401 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)C2 1779274237 PODIDWUAQHXMTO-MEKIYTOJSA-N 498.973 5.255 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccc(F)cc4F)cc3)CCC2)cc1 1786325221 ZUJRQUNQDKBADD-UHFFFAOYSA-N 491.563 5.571 30 20 JKED CCc1nn(C)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c1Cl 1787122644 YBKSJRBIYKZLES-UHFFFAOYSA-N 496.398 5.222 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccnc(C(F)(F)F)c3)cc2)CCC1 1787212708 SWCDCGZDDAXCGQ-UHFFFAOYSA-N 453.411 5.060 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnoc4C4CC4)cc3)CCC2)c1 1787598513 YKYAYQXCCWQTRF-QGZVFWFLSA-N 454.530 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(n3C)-c3ncccc3OC4)cc2)CCC1 1788320038 OTRHISRTYYKZTB-HSZRJFAPSA-N 496.611 5.496 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5ccccc45)cc3)CCC2)cc1 1788891261 XUVBFLBVUYXQEQ-UHFFFAOYSA-N 460.537 5.362 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1789561410 YLXALQVIBDVCQP-MSHUQIKOSA-N 494.979 5.098 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)cn4)cc3)CCC2)cc1C#N 1789735354 BWXLFJURKPMXFS-UHFFFAOYSA-N 488.975 5.455 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2)CCC1 1789855144 AEBBNSOQMIVMIF-ZHACJKMWSA-N 499.514 5.349 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789879960 REBMPLNXSZWYQF-LQKURTRISA-N 484.581 5.270 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)CCC3)cc2)c1 1790257269 QIPXRYHZTWPAHH-DSITVLBTSA-N 465.578 5.194 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)noc3C)CCC2)cc1 1790564850 GAWNOYXYQPQQMJ-LJQANCHMSA-N 474.561 5.199 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5cc[nH]n5)cc4)cc3)CCC2)c1 1790739714 UUMVIOYWLPWQDF-UHFFFAOYSA-N 461.525 5.010 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3N3CCCCC3)cc2)CCC1 1790785567 JWBVHMKVZFYCMN-NRFANRHFSA-N 476.621 5.226 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cncs4)CCC3)cc2)cc(C(F)(F)F)c1 1790785630 XZPKGEQUAPBXMA-UHFFFAOYSA-N 470.476 5.095 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4Cl)CCC3)cc2)c1 1790795028 PEDZAJSQUGOIFA-UHFFFAOYSA-N 483.959 5.410 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)cc2)CCC1 1790817766 WXBXHUDXKRSFFB-UHFFFAOYSA-N 458.480 5.265 30 20 JKED C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1)c1ccccc1 1790836597 PMIKQSNPRMLPAH-IBGZPJMESA-N 477.568 5.376 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790979116 WLHFGZVIJQQCBA-QGZVFWFLSA-N 478.980 5.437 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791250191 KJNPBQKHECZJGB-OFNKIYASSA-N 483.653 5.512 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ncc(F)cc4F)CCC3)cc2)c1 1792123340 VAQJMFWIKIPFAH-INIZCTEOSA-N 460.484 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc2ccccc2c1 1796515661 NBDARHKJINGJBI-HVWQDESWSA-N 479.624 5.922 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2ccc(Br)cc12 1797524685 NLWSLWPJRGTSLX-BCDXTJNWSA-N 472.427 5.175 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(Br)c2[nH]1 1798135291 KBMFNDISGHURAE-BCDXTJNWSA-N 472.427 5.175 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@@H](F)c1ccccc1 1800505323 ZJMNNFFCIGFCAC-PUHABZHSSA-N 466.556 5.049 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CCCCCCCCCCC(=O)OC)[C@@H]2c2cccnc2)C1 1802418180 OGIQLIWMDVBGFB-UFHPHHKVSA-N 497.680 5.128 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@@H]1c1cccnc1 1803088111 HHLXYNLQKWEROK-RCZVLFRGSA-N 463.647 5.110 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)CC2)C1 1804859984 ULTAQMQEQMYOPF-SANMLTNESA-N 479.709 5.122 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4Cl)CC3)C2)ccn1 1807445072 JBDAAFUMYXWKBW-UHFFFAOYSA-N 479.024 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1810494894 MZFHXVTXAYQTGE-RDGATRHJSA-N 468.041 5.366 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1811766727 NKLAANCTAFMFFA-TXTKFYIRSA-N 471.523 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1813837665 IQWUCUJLWNMDDW-ZTCOLXNVSA-N 451.998 5.131 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ncc(Cl)cc3Cl)n[nH]2)c1 1814372172 XJDXVUWRJASDFP-XOBRGWDASA-N 497.386 5.358 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815656362 QMVSDIIFOVTDGE-OAQYLSRUSA-N 474.586 5.534 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)oc2C(F)(F)F)n[nH]1 1816469261 LDEJWUATSCETMJ-GOSISDBHSA-N 464.488 5.404 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817740287 YVDKYAFVAGDTKG-VWLOTQADSA-N 469.589 5.280 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc(Br)ccc3c2)n[nH]1 1818985186 RJAGEFWYVCBFMJ-OAQYLSRUSA-N 479.378 5.045 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2Br)[nH]n1 1819301779 RHWQJQSITXVBPY-OXJNMPFZSA-N 489.389 5.386 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)[nH]n2)c1Cl 1820220018 FYRWKZNCRJTVID-NRFANRHFSA-N 490.926 5.175 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3c(Cl)c2OC)n[nH]1 1820235759 RILIFVWXGSIXMY-FQEVSTJZSA-N 499.036 5.450 30 20 JKED CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC#N)[nH]n2)cc1 1821242768 NEGKEBCZLXMOBS-AUSIDOKSSA-N 493.608 5.002 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)[nH]n2)c1 1821272351 CGRPDKTVJWITST-VWLOTQADSA-N 494.530 5.102 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821611166 IGDKNVORBMHCPP-HTAPYJJXSA-N 487.560 5.416 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1822392274 XXAWMBKRDHWNSY-HXUWFJFHSA-N 471.483 5.019 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(Br)s2)n[nH]1 1822728585 WKHQMWWJURVMKP-HEWZJLJBSA-N 499.381 5.151 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823291515 WBMTUYWCUSRMAF-HSZRJFAPSA-N 475.593 5.143 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c[nH]c4ccc(Br)cc34)CC2)C1 1823700039 FQASWCPYBNOGSV-XMMPIXPASA-N 498.465 5.059 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823972266 VKAUCAVSGHQEOD-FQRUVTKNSA-N 478.036 5.178 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 1824145190 CYGUZUYUTMEWKS-HSZRJFAPSA-N 459.030 5.350 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCc3ccccc3F)CC2)ccc1F 1824166256 GFXJHBIKKUYATP-MHZLTWQESA-N 493.598 5.022 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)c2c1 1825095095 JLFWAQSHBUKAGR-LJAQVGFWSA-N 496.655 5.143 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccn4c3)CC2)c1Cl 1827405472 WENKRQPSAKPQRK-OAQYLSRUSA-N 481.021 5.073 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827714535 JYPNRMURWXQGNA-NRFANRHFSA-N 471.548 5.095 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1827727011 QFANNOUPSDCSNZ-MHZLTWQESA-N 490.648 5.087 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1)c1ccc(O)cc1 1828259921 ITYGVFJCVSCWJK-UFHPHHKVSA-N 498.623 5.569 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccc(C)cc2)CC1 1828342267 CQGRPHVONMGVOV-LOSJGSFVSA-N 454.680 5.475 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2F)CC1 1828453502 IWQBTWSTXNWTEK-AHWVRZQESA-N 470.629 5.155 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c(F)c1 1829956785 RGOALSBAKIRELZ-SANMLTNESA-N 477.580 5.032 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F 1830053782 AMSIXHGDCMFYDF-GOSISDBHSA-N 462.434 5.057 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)CC2)c1 1830092483 IRUCZCQGMCICOU-IQGLISFBSA-N 465.544 5.139 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1F 1830713657 HLFDNCTVELZPPV-SANMLTNESA-N 479.571 5.011 30 20 JKED CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1830717734 NDSARVQCOVTTPM-OZXSUGGESA-N 461.581 5.124 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)ccc1F 1830749850 JQITUZHXNLMUSY-MHZLTWQESA-N 473.592 5.051 30 20 JKED C[C@@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC=CCC1 1830755232 HJKURFCUGIGVCH-JYFHCDHNSA-N 487.566 5.557 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307447 XCPVMOGDHWGQSM-PKTZIBPZSA-N 495.491 5.119 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1831373233 AGQRYSOTXAUGGX-SIKLNZKXSA-N 451.636 5.256 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1)C(F)(F)F 1831454074 WPJZCYRMJPZNHH-NRFANRHFSA-N 479.930 5.240 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCCCCCC(=O)OC)CC1 1831853403 RQAKNTLLTPNPTO-SANMLTNESA-N 488.713 5.484 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1832029190 WXNNSCRRECZNJB-QHCPKHFHSA-N 479.448 5.186 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cc(C)cc(C)c3)CC2)c1 1832044119 GRWPJDYHXUXPNE-NDEPHWFRSA-N 487.644 5.050 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC(F)(F)F)CC2)c1 1832629873 WPKHAGWDCXYNTN-AVRDEDQJSA-N 463.544 5.280 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1832632976 ARSLNPHTZRWFRY-NSYGIPOTSA-N 499.989 5.792 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832702040 ASNUQEAASBZYJE-SANMLTNESA-N 477.649 5.347 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 1838671915 RKYMIBJQQRLCIA-UHFFFAOYSA-N 498.973 5.165 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nc2sc(C)c(C)c2c1=O 3470549 YMRKUHLOPAWYFS-NSHDSACASA-N 469.419 5.082 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2cccc3ccccc23)cc1 11125314 MRHHTWARWMRARK-UHFFFAOYSA-O 490.446 6.503 30 20 JKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1 11165240 JLPCHIVQYFJLBD-UHFFFAOYSA-O 472.033 6.578 30 20 JKED C=CCn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nc2sc(-c3ccccc3)cc2c1=O 14674686 PORGLSIFXXJIKV-UHFFFAOYSA-N 493.013 5.493 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2sc3c(c2c1=O)CCC3 16715635 NDFJNFGPCRYBPH-LBPRGKRZSA-N 479.549 5.271 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1ccc(F)cc1 21996191 UCBWCCWFDMCOSP-UHFFFAOYSA-N 488.544 5.909 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)n(-c2ccc(F)cc2)c1C 22187846 OAGKIEAPJKEPAF-UHFFFAOYSA-N 492.605 5.491 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2cccc(C(F)(F)F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1C 35213251 LXKIGZUGUSARNY-UHFFFAOYSA-O 485.595 6.958 30 20 JKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)c1 107899200 GUCRNBUCWIQKFJ-UHFFFAOYSA-N 475.599 5.489 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(N4CCCC4)s3)c2C#N)C1 108756918 GFONWLVZQLYWJM-CQSZACIVSA-N 475.709 5.343 30 20 JKED Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 110636849 YRDYUHBKUBGLMK-UHFFFAOYSA-N 486.532 5.143 30 20 JKED N#C[C@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 195720722 FOJBZXGOVIKNBO-CYBMUJFWSA-N 476.385 5.206 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2)cc1 254510062 UXPZXIAEXATNPP-HSZRJFAPSA-N 477.561 5.385 30 20 JKED O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1 254854740 SZWGVFNAFYLWQE-UHFFFAOYSA-N 497.393 5.216 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(C)c1 255504638 ZLWXMZOJFBTZMT-SFHVURJKSA-N 460.397 5.128 30 20 JKED C=CCN(C(=O)CCc1c(C)nc2ncnn2c1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 483175011 BXHOTDUPPQCZCM-UHFFFAOYSA-N 494.624 5.683 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 493075507 CFSLDNCLDRMGHY-UHFFFAOYSA-N 477.499 5.418 30 20 JKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)cc1 494412347 HSRFYZMLGIDWME-LJQANCHMSA-N 469.397 6.429 30 20 JKED Cc1oc2nc(SCC(=O)N(CCC#N)c3ccccc3)nc(NC(=O)c3ccccc3)c2c1C 498137568 PSSQULHGNCUQHA-UHFFFAOYSA-N 485.569 5.131 30 20 JKED N#CCCn1cc(C(=O)NCc2ccccc2Sc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 501089176 MSAQLTYXTWGMRX-UHFFFAOYSA-N 483.553 5.453 30 20 JKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1 501426249 VBTJDJIMKXBHCF-UHFFFAOYSA-N 456.571 5.377 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)cc1 501875699 WCHYLAJSCCZBTK-UHFFFAOYSA-N 476.458 5.788 30 20 JKED Cc1cccc(Oc2ncccc2NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C 502676267 ABZJRWRBKZKJAM-UHFFFAOYSA-N 469.545 5.245 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2Cl)on1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 506560169 DJDWUQJVIIGUJK-UHFFFAOYSA-N 466.906 5.860 30 20 JKED N#Cc1c(F)cccc1Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 506839252 LOYMTZNIQXNXRI-UHFFFAOYSA-N 452.312 5.254 30 20 JKED C[C@@H](Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)Nc1ccccc1C#N 507554952 SBRVENGVPCOQET-OAHLLOKOSA-N 452.436 5.268 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1 508135445 XHNSHXZQDWVNIB-UHFFFAOYSA-N 493.563 5.171 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 510241444 MOHVORYFUWZQNJ-QFIPXVFZSA-N 463.946 5.754 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccc4ccccc4c3)C3CC3)s2)cc1 510617745 QJXCBUDQVDBYDN-UHFFFAOYSA-N 471.611 6.052 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)c2)cc1 513069234 MWWRFESVPCSEHD-JOCHJYFZSA-N 458.537 5.119 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 515171343 AMMVHCWCLFRRNL-UHFFFAOYSA-N 475.504 6.632 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 515673918 IJUGDGIIWQSSJZ-HXUWFJFHSA-N 485.594 5.658 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1nc(-c2ccncc2)cs1 516331524 ZBPAZWQFYROBKP-MRXNPFEDSA-N 493.342 5.303 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 517473723 RPPHTQHQAGKTDK-KBPBESRZSA-N 476.396 5.355 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4ccccc4n3Cc3ccccc3F)n2)cc1 517800950 ROMRGEPABSWCPI-QFIPXVFZSA-N 476.536 6.314 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 518725081 ZGHZDQNEABNFAS-UHFFFAOYSA-N 454.577 6.039 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 519126667 IGKGFLPMBQJRCH-HSZRJFAPSA-N 479.989 5.494 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cc2)cc1 519988744 JDOZAZVFFXGHCB-LJQANCHMSA-N 454.555 6.372 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 520141516 UKLXRFNQMZVLAV-XCZPVHLTSA-N 483.568 5.290 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 521260995 LLDNEJYAYJWJOW-RDJZCZTQSA-N 459.413 5.101 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C 521302215 OXOCYFZLGXDUQG-UHFFFAOYSA-N 492.601 5.058 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)o2)cc1 524422206 BZRXPSOIBUEAME-UHFFFAOYSA-N 457.467 5.959 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 553267718 GMMCSMASNRKFHA-AWEZNQCLSA-N 476.517 5.299 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cn2)c1 556681516 TURWLPJSUSPDBI-UHFFFAOYSA-N 480.549 5.729 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2I)cc1Cl 603759211 XWDIZXIGXOAOML-SFHVURJKSA-N 472.713 5.852 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 603831116 LHUPZXRXEGALHC-HHHXNRCGSA-N 489.019 5.944 30 20 JKED COc1cc([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OC1CCCC1 603904548 VJDQNFZRPBGWBO-GOSISDBHSA-N 460.530 5.551 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603961921 NQBJGLBWTNFDAO-UHFFFAOYSA-N 485.521 5.670 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cs2)cc1OC 603992017 MTQDCHLTMBRPOI-UHFFFAOYSA-N 473.579 5.778 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604160055 TXXDVZUCDZRCOE-UHFFFAOYSA-N 474.369 5.706 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4C(F)(F)F)c(F)c3)CC2)c1 604452559 BKNSQJDDASBORF-UHFFFAOYSA-N 485.441 5.258 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3C[C@@H]3c3cccc(Br)c3)c2)c1 608841701 UAGJRYNJZPXGNN-FGZHOGPDSA-N 475.346 5.251 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609060994 MFYSMXDAPZQKRJ-UHFFFAOYSA-N 459.477 5.229 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 609080687 LVUOEKJRVBKKLE-HXUWFJFHSA-N 458.537 5.500 30 20 JKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 609206951 CJHDJYVNVWKZAT-UHFFFAOYSA-N 488.975 5.772 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 613403211 DJKMJYQIRSXZQU-MRXNPFEDSA-N 453.880 5.437 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 614381357 GKURTONXAZKSBF-KRWDZBQOSA-N 463.921 6.140 30 20 JKED O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623591117 QQJKCVZGEILVTP-VXGBXAGGSA-N 459.312 5.094 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1cccc(C#Cc2ccccc2)c1 642479624 CSRYRTOMQVQOJJ-UHFFFAOYSA-N 452.341 5.496 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H](C)c1cccnc1)c1ccc(Cl)cc1Cl 726397882 QSEWLXBSMYUOKY-MUFWIFHSSA-N 491.444 5.179 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1)c1cccs1 726420768 MYGFNOMZXYFOTK-ZPGIOUQYSA-N 457.552 5.070 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726423132 ZODYZAPTZVSZEF-HSTXMGBVSA-N 492.601 5.349 30 20 JKED CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 726427839 ZCUCVRBPZRSGEM-KHPPLWFESA-N 452.479 5.097 30 20 JKED O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 726720568 XLOBAUIDINSPCU-STQMWFEESA-N 489.407 5.029 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 726755237 CKBHIVWIWZMVLR-UHFFFAOYSA-N 451.555 5.204 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccc2)cn1 726887233 DKJFKEHVBOZVKE-NRFANRHFSA-N 495.004 5.213 30 20 JKED Cc1oc(-c2ccsc2)nc1CC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 727023737 XJDHSAKZQLGRSJ-CQSZACIVSA-N 469.588 5.027 30 20 JKED N#C[C@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(SC(F)F)cc1 727628250 RQUWKQDXOFUSEL-MRXNPFEDSA-N 458.408 5.180 30 20 JKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ncc(Cl)cc1Cl 728667935 GUJWDJLBCJNKTG-ZDUSSCGKSA-N 456.285 5.236 30 20 JKED N#CCOc1ccc(CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 729608739 CEZGOAMAMGNWIE-UHFFFAOYSA-N 455.345 5.203 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H]2CCc3c(C)cccc32)C1=O 729630839 DVAJGZVKAVMVTB-MOPGFXCFSA-N 475.586 5.065 30 20 JKED O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1ccc(N2CCCC2=O)cc1 730579579 XXZNDGYDGIFPEP-FLIBITNWSA-N 453.361 5.596 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1F 730720409 KAERUIBFKPUKLJ-NFBKMPQASA-N 495.555 5.112 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 730989057 GORKQGILNKGQRZ-OHELVMOZSA-N 468.022 5.625 30 20 JKED CC(C)n1ncc2c(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc(C3CC3)nc21 731066719 GDUAVJBKGNZVQM-INIZCTEOSA-N 477.590 5.079 30 20 JKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(C(F)(F)F)cc1 731076718 CJIYEFSLCNQDOK-KGAUPUERSA-N 462.493 5.685 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 731077850 LBPVSQLAPSMJJI-QGZVFWFLSA-N 489.528 5.679 30 20 JKED Cc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)sc2c1 731078299 OFRPGQGSEJZNAR-CQSZACIVSA-N 458.992 5.910 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC(c3cccc4ccccc34)CC2)c1 746763741 BVADLELEVYUBGK-WCTVFOPTSA-N 490.629 5.064 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccccc3Cl)o2)ccc1S(=O)(=O)C(F)F 747067363 UWHYDIACZGJGDA-CLFYSBASSA-N 452.862 5.501 30 20 JKED N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)Nc1cc(Cl)cc(Cl)c1 747111572 DKBOWVQOQCBNLD-OAHLLOKOSA-N 466.371 5.291 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cs1 747614879 NSETWZPKPUTYTE-MDWZMJQESA-N 477.977 5.575 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2cc(F)cc(F)c2)C1=O 748580812 XZPCEIXHHFUDIY-HSZRJFAPSA-N 495.551 5.176 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)C1 750789822 FEHGVCSQYHWHKG-SFHVURJKSA-N 451.592 5.086 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1 767033637 XJNLWWCRNGUGCG-UHFFFAOYSA-N 495.948 5.265 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(C3CCN(C4CC4)CC3)C2=O)cc1 837285536 OXAJPYXYGQGSQX-DEOSSOPVSA-N 490.673 5.199 30 20 JKED CN(Cc1ccccc1NCc1cc(C#N)ccc1Br)C(=O)c1cc2ccccc2o1 864012347 HGEFPQKBVQIEJA-UHFFFAOYSA-N 474.358 5.951 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3NC(=O)c3ccccc3)s2)cc1 901986835 YJZBWAIPOVNWEO-UHFFFAOYSA-N 471.567 5.207 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(NC(C)=O)c1 913119298 KTKWVTHHSWEPJG-HSZRJFAPSA-N 474.586 5.169 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 914694519 MSTCIXGWXMDGKF-KKSFZXQISA-N 451.523 5.010 30 20 JKED CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915087586 VTWBTARPDOXTIP-WTVIJRJXSA-N 469.629 5.638 30 20 JKED Cc1nn(-c2ccc(F)cc2F)c(C)c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 915944633 JVBMZLUIIFRJTR-UHFFFAOYSA-N 475.524 5.396 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 916074255 IYBNODWGJKBFMB-QGZVFWFLSA-N 470.504 5.062 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916135716 KQYQUOOTXZWWFX-YCRREMRBSA-N 479.460 5.474 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 916204654 IAEKSCNWYIZJIV-IBGZPJMESA-N 461.509 5.445 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916210948 KLQYCTHLQWCIRX-IBGZPJMESA-N 484.921 5.002 30 20 JKED COc1cc(C=NNc2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916248076 JBYQVVBHNOFADY-UHFFFAOYSA-N 479.405 5.456 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CCCC3 916288653 SAXXISRVPKRGNY-UHFFFAOYSA-N 499.346 5.150 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907338 YBCSAMCLHKSWNM-JOCHJYFZSA-N 485.540 5.465 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1Br 916909877 DSERLDXAWDJDDS-INIZCTEOSA-N 470.754 5.471 30 20 JKED COCc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2cccc(F)c12 916928429 KWKDUPHXJMKRFL-NSHDSACASA-N 451.306 5.455 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1NC(=O)c1ccccc1F 916929797 AQTHQNCKRSSOGG-QGZVFWFLSA-N 484.314 5.654 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916931128 JGLQPMNJFJRYKO-CQSZACIVSA-N 498.313 6.405 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916972363 NMWDDADJTZQZSV-NHCUHLMSSA-N 463.628 5.155 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 916976181 MTKFCKIYNZTWJJ-OAQYLSRUSA-N 479.989 5.689 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997552 WJKKAQCVFDSADW-MAUKXSAKSA-N 490.437 6.050 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cc(C)ccc1C 917379690 SLUMNXQGQJAVDE-HSZRJFAPSA-N 488.016 5.572 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2F)n1 917664418 OMEGWKCXYCUNQL-JOCHJYFZSA-N 496.995 5.651 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2ccc(Cl)cc2)cc1 917677736 JWKXWLIMNFUNDW-HSZRJFAPSA-N 489.000 5.050 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 917698891 LJLKAXLLTSYPTO-HSZRJFAPSA-N 497.567 5.505 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)N(CC2CC2)C(=O)N[C@@H]1c1cnc(-c2ccccc2)nc1 918076614 RKMNVVPUISISTH-HSZRJFAPSA-N 458.949 5.274 30 20 JKED CC(C)Oc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 918410990 RZGQBGGCYDQNDI-UHFFFAOYSA-N 463.921 5.046 30 20 JKED Cc1cccc(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c1NC(=O)c1ccccc1F 919644236 QOWZLWIXYWLTGH-UHFFFAOYSA-N 493.922 5.144 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 920168903 PEBPOBLLHBUXBH-LOSJGSFVSA-N 498.583 5.654 30 20 JKED COc1ccc(OCc2nc(/C=C/C(=O)c3nnn(-c4cccc(Cl)c4)c3C)cs2)cc1 920389444 PLIZKHLCYIWNTN-IZZDOVSWSA-N 466.950 5.169 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)c1 920805516 CZKWCJQRKLKXNF-FUHWJXTLSA-N 480.540 5.517 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)c1 920805694 FOOGLMHWDCNWPS-HKUYNNGSSA-N 479.552 5.434 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC2CCC2)c1 920927001 CSMJEUJEUKSWGX-FQEVSTJZSA-N 475.536 5.774 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1F 920983205 JRXJCJUUQMQLKN-IBGZPJMESA-N 490.398 5.311 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4Cl)cc3)CCC2)c(Cl)c1 1785754176 WXCCUJAMFIHKKI-UHFFFAOYSA-N 465.340 5.322 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4ccc(OC)cc4)CCC3)cc2)C1 1785806658 JZCKPFJZXQJWDG-UHFFFAOYSA-N 467.569 5.471 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)c(Cl)c1 1786207760 MXSJJSKARIHYAC-JXMROGBWSA-N 490.903 5.174 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CC[C@H]3CNc4ccccc4C3)cc2)CCC1 1788068164 ZFSHUELYYIZEFN-HXUWFJFHSA-N 463.647 5.104 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5s4)cc3)CCC2)cc1 1788413615 ZGVVCSLGMDNCEF-UHFFFAOYSA-N 455.539 5.356 30 20 JKED COc1cscc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1788830105 PQGSYMGVTSWTKC-UHFFFAOYSA-N 465.962 5.343 30 20 JKED Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5n[nH]c6ccc(C#N)cc56)CCC4)cc3)c2[nH]1 1789019671 LTJNVBALCAQUCW-UHFFFAOYSA-N 488.551 5.286 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(-c5nccs5)noc4c3)cc2)CCC1 1789223871 ARINMZDKQSMDSX-UHFFFAOYSA-N 458.543 5.275 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c3CCc3ncccc3-4)CCC2)cc1 1789456226 MKKXUKWDLVQMBT-OAQYLSRUSA-N 481.600 5.086 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)cc1 1789489744 KIPNMTACWVXZAP-XMHGGMMESA-N 476.646 5.017 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)cc2)CCC1 1789987870 NLJIQWJXGKGQML-JOCHJYFZSA-N 491.591 5.392 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790287820 YZGKXTXLPQFUNB-UHFFFAOYSA-N 476.536 5.583 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccc(Cl)cc5nn4)CCC3)cc2)cc1 1790287823 ZLCMEFLNYMTUDP-UHFFFAOYSA-N 481.943 5.216 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3occc3NC(=O)OC(C)(C)C)CCC2)cc1 1790565799 DIUDDELYFIWEMC-KRWDZBQOSA-N 498.580 5.175 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5scnc5c4)CCC3)cc2)cc1 1790706441 CBBYKGATXYEJBH-UHFFFAOYSA-N 466.566 5.424 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccc(F)cc4)CCC3)cc2)c1 1790761843 HDMPRUKXTMDLLW-UHFFFAOYSA-N 475.495 5.053 30 20 JKED C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1)c1ccccc1 1791340679 ZZICFABWQBKUSO-IBGZPJMESA-N 477.568 5.376 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccc(Br)cc34)CCC2)cc1 1791578615 IGKRGTGNYDFRHF-CQSZACIVSA-N 484.419 5.063 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)CCC2)cc1 1791588820 ZALJJVJOCVKWJG-HSZRJFAPSA-N 483.653 5.560 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CCCc4cccnc4)cc3)CCC2)cc1 1791948753 HGRKGKMAOYZDRV-UHFFFAOYSA-N 466.585 5.043 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1792240530 JXLSSFLLEKNMKF-CCEZHUSRSA-N 491.547 5.531 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCc1ccc(C(F)(F)F)cc1)C2 1793046734 PALHCNKPDMNNAB-NUNAXRQHSA-N 462.556 5.435 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 1797268571 AIEIEXCNIHKPDQ-NUNAXRQHSA-N 480.008 5.548 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@H]1c1cccnc1 1803077307 JGPFNCRGNBGTES-YWEHKCAJSA-N 498.627 5.173 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803089556 CCJLHDPQKVFVFG-XUZZJYLKSA-N 496.533 5.060 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)COc3c(Cl)cc(Cl)cc3Cl)C2)CC1 1805245962 SEHKQXUJZMCYLM-INIZCTEOSA-N 487.855 5.469 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4cc(C(=O)OC)ccc4c3)CC2)C1 1805458738 WHFWQEOJZDJVOO-UHFFFAOYSA-N 488.628 5.240 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cc4occc4n3-c3ccccc3)CC2)C1 1806014370 JAYMGROMMFJOSS-UHFFFAOYSA-N 489.616 5.051 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@H](CNC(=O)CCC#N)[C@H]3c3cccnc3)cc2)cc1 1806868377 OKFLGJONFCPMQN-PQHLKRTFSA-N 494.639 5.715 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1807572756 UOVLXDSOMXOKCN-KCWPFWIISA-N 472.633 5.194 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3sc4ccccc4c3Cl)[C@@H]2c2cccnc2)C1 1809208772 CKHXMWMBGPRDCN-JTSKRJEESA-N 466.006 5.236 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3cccnc23)[C@@H]1c1cccnc1 1810272558 PTZOULAUBSKGFD-RBJSKKJNSA-N 498.703 5.001 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811115679 DISZJABKJDJWOT-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1811253870 JMSBXRQNHGTYSB-RDPSFJRHSA-N 484.040 5.446 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1811540079 ZTNCPAJKAONMOD-RDGATRHJSA-N 493.529 5.495 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1812516553 TUUWUWIZXCGFKW-PGRDOPGGSA-N 496.385 5.238 30 20 JKED C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(CCCC)cc3)cc2)[C@@H]1c1cccnc1 1812529708 DNJFPPRQKTZIMG-XRKRLSELSA-N 465.597 5.044 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2)[C@@H]1c1cccnc1 1812592023 HUUIQMAARNNEND-LUQKVYGDSA-N 490.829 5.029 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1813047030 MDBFUGIYGKKJMC-QFQXNSOFSA-N 475.976 5.118 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1813870097 XPBULBSOLQXWSB-RTGAMMJTSA-N 487.003 5.304 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@]2(F)CCCC=C2F)[C@@H]1c1cccnc1)c1ccccc1 1814284092 GOAMOOKUBPZHJT-SUSFFDNPSA-N 491.582 5.030 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Br)c4ccccc4c3)[nH]n2)C1 1814394256 LLGZVTVNRJZERP-QFIPXVFZSA-N 493.405 5.598 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)n[nH]1 1814687662 GTPQWTUSULBIPF-SFHVURJKSA-N 497.810 5.245 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1815208559 FLHDXTAENAWJKY-LJQANCHMSA-N 498.933 5.371 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1815654930 CDYUNKGZOJHSHI-SFHVURJKSA-N 458.971 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)c1 1817497614 GWAKILWPNDPACM-BVFJVTDLSA-N 459.575 5.118 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3nc(C)ccc3o2)n[nH]1)c1ccccc1 1817689919 BFQVLKWNGUEUCW-QPPBQGQZSA-N 495.583 5.362 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cc(F)cc(F)c2)n[nH]1 1817765080 AMOPQTMNPRGXGJ-AOMKIAJQSA-N 479.531 5.268 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)[nH]n1 1819303372 VBMLCFZFIMIZQP-UKILVPOCSA-N 475.637 5.087 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1819308921 IBHCSIXFIYTYIT-FDDCHVKYSA-N 477.996 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cccs3)on2)n[nH]1 1819788745 YASCOTPWNZVLPX-VQIMIIECSA-N 465.579 5.201 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820102757 ZEHCBJDATXUUBQ-RXVVDRJESA-N 481.647 5.137 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820316577 LPZCWHSCUFCGEM-QHCPKHFHSA-N 473.552 5.110 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821175732 OHBPLOAUJHRKIQ-DOTOQJQBSA-N 474.586 5.322 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)cc2s1 1821440759 ZUQCZMYVPBJAJY-IBGZPJMESA-N 492.992 5.406 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)[nH]n1 1821922079 YPTARUVDTPUAHM-XOBRGWDASA-N 484.398 5.172 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1821922822 PURWFWBPEXVLRS-OXQOHEQNSA-N 461.591 5.395 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1)c1ccc(O)cc1 1822466106 OASQQPWJMWYWAV-DHLKQENFSA-N 476.621 5.275 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1822579846 KQJVNFUZOAOPCN-SFHVURJKSA-N 469.998 5.172 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)[nH]n2)c1 1823212919 ZLNFETLGQVIBLX-HJPURHCSSA-N 493.970 5.378 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3sccc3Cl)[nH]n2)c1 1823217219 JHLPNVUNWXROAL-AUUYWEPGSA-N 467.982 5.371 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)n[nH]1 1823516567 KMDQNIWDUQIIQG-ICSRJNTNSA-N 489.661 5.088 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823648050 CRDODIRKVDFNCY-CVDCTZTESA-N 479.646 5.321 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCCCC(F)(F)F)cc3)CC2)C1 1823701129 ANTXHFZCKNLFBX-DEOSSOPVSA-N 492.582 5.607 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccccc2C#N)CC1)c1ccc(Cl)cc1 1823975160 KBSAZSXHXBCSKE-NLFFAJNJSA-N 494.035 5.014 30 20 JKED CC(C)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CCC1 1827329555 YTBIJQJJKRGLMX-OAQYLSRUSA-N 490.570 5.032 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1828337252 RUFAUSKJZABVKZ-AREMUKBSSA-N 490.047 5.106 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1 1829775919 SRRDPLILHRCRSN-MHZLTWQESA-N 498.627 5.130 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sc(Br)cc3C)CC2)C1 1829782598 IRLDVRNOYXNOTJ-SFHVURJKSA-N 465.457 5.019 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829999399 XKAXSNMJCOANNB-HSZRJFAPSA-N 469.507 5.124 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1830015584 KOGOURXEKKQDRS-JIMJEQGWSA-N 476.020 5.249 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)c1 1830169239 IYMQGZKYGLXRTQ-WNCULLNHSA-N 483.697 5.382 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c(C#N)c1 1830288490 LFHGKFXDJJBFNV-MUUNZHRXSA-N 487.644 5.166 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1830628042 CRGSWELZSYFKQE-DEOSSOPVSA-N 489.616 5.654 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(F)cc1 1830633712 QWXRQSCZJUKFIW-IZLXSDGUSA-N 489.635 5.565 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC1 1830756122 RUFWDURYUGBSGP-ZJSXRUAMSA-N 487.566 5.557 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059044 DFVCKFURWATYFN-HSZRJFAPSA-N 480.555 6.031 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)CC1 1831238195 CLJFNJHOMSIMGQ-QHGKVXFQSA-N 491.720 5.504 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1831317650 OVSCVQAJLQXHJA-OFVILXPXSA-N 487.084 5.220 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1831446969 AGNSXOPTTGTAIC-LJQANCHMSA-N 476.461 5.289 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)CC1 1831719238 HNBMVKZPEYLFFQ-TUJRXNQHSA-N 468.613 5.236 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)cc1 1831748404 GZCRGRXEBYTOCE-UPXASZCJSA-N 495.545 5.117 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccc(O)cc1 1831924071 AVFKBUVEEVQLSL-IGKIAQTJSA-N 498.623 5.569 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1832030268 KIYPFRJUIWWUST-DEOSSOPVSA-N 473.057 5.554 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)Cc3ccccc3)CC2)c1 1832634744 VOKVZSREXIJRTO-MRJKTFCFSA-N 471.645 5.426 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)cc1C#N 1832704887 XUCCSQCLVRYYJN-VSGBNLITSA-N 499.655 5.309 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1832826793 BZCVAMNPKRFGKV-AREMUKBSSA-N 467.613 5.253 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C)c3Cl)CC2)CC1 1838424066 IQAJGZPCZJOSLC-UHFFFAOYSA-N 461.046 5.253 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2sc3ccccc3c2Cl)C1 1843710423 SCKWZMZCVXYVCS-UHFFFAOYSA-N 473.114 5.423 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)C2 1844253413 DGEZDBKCZHFECM-UHFFFAOYSA-N 485.022 5.227 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc(-c3ccc(Cl)cc3)no1)C2)c1ccccc1 1844335428 HUKXRWMHQBBPIT-HSZRJFAPSA-N 487.987 5.009 30 20 JKED C#CCCC(=O)N1CCCC12CN(C(=O)c1cccc(Oc3ccc(C(F)(F)F)cc3Cl)c1)C2 1846998372 GCJJJAZAOVNRSZ-UHFFFAOYSA-N 490.909 5.382 30 20 JKED COc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)c3ccccc3n2)cc(OC)c1OC 9597204 NAZKBGCARFKMQU-FQEVSTJZSA-N 492.535 5.304 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)Nc1ccccc1C#N 10143124 YPQJZMIHMQAKOG-KRWDZBQOSA-N 473.989 5.638 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)cc1 10174177 AEAJPCWCCIPGFF-UHFFFAOYSA-O 459.513 6.047 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10759716 VAKIQBXTTHGZKT-UHFFFAOYSA-O 470.033 6.677 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2ccccc2)nnc1-c1ccc(OC)cc1 11452460 WTFSUZCUSKVWMI-UHFFFAOYSA-N 470.598 5.465 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)n(-c2cccc(F)c2)c1C 16628507 RGVVOFKJPBBCRH-UHFFFAOYSA-N 495.630 5.812 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nc2sc(-c3ccccc3)c(C)c2c1=O 17131776 CDGGCXPQLNGEHP-INIZCTEOSA-N 453.633 5.159 30 20 JKED O=C(O)CCCOc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cc1 18063390 HJIBQIAMJNKJED-JLHYYAGUSA-N 453.498 5.074 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1/C(O)=N/c1nc(CN2CCOCC2)cs1 22702029 ZJKJXJSOHLNGRY-UHFFFAOYSA-N 468.526 5.062 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1cc(C)ccc1C 22729575 AATRLGJCKRLSNB-UHFFFAOYSA-O 458.434 6.511 30 20 JKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 22729836 DEDLOWMMABVLDA-UHFFFAOYSA-O 485.698 6.911 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1cc(Cl)cc(Cl)c1 22733154 ZYXBSTSZMCMRLX-UHFFFAOYSA-O 450.436 6.264 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)NCCc2ccccc2)cc1 22735293 NOKMNDPZZWGSIT-UHFFFAOYSA-O 472.099 6.364 30 20 JKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1ccc(N2CCCC2=O)cc1 22938971 QQWYCDFNHFJWJY-GOSISDBHSA-N 485.565 5.020 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccnc1 23283199 KRMWGCIZXZJIJA-INIZCTEOSA-N 486.626 5.179 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1-c1ccccc1 23284841 PPFXNYHBTRPQQG-GOSISDBHSA-N 489.626 5.432 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)ccc1Cl 29351996 OLSOOFGDODSZBG-UHFFFAOYSA-N 499.017 5.425 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1SCC(F)(F)F 33164240 HTTKZJNWHVNCBQ-UHFFFAOYSA-N 489.313 5.391 30 20 JKED COc1ccc(/C=C2/CC/C(=C/c3ccc(OC)c(Cn4cccn4)c3)C2=O)cc1Cn1cccn1 35678482 WCIHYANSSPDYMO-MPKYGIEOSA-N 480.568 5.023 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1nc(-c2ccccc2)cs1 105387453 VZZWFFMMLZQJIR-SFHVURJKSA-N 477.640 5.357 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(OCc3cccnc3)c2)cc1 108740079 ZYFFRZQUEZRRDO-UHFFFAOYSA-N 451.501 5.514 30 20 JKED O=C(c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CC[C@H](c2ccccc2F)C1 410298532 VHAZSDJQVMZZGG-ZDUSSCGKSA-N 465.365 5.338 30 20 JKED CC(C)COc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cl 477439518 OMXDNTGOPJALHR-UHFFFAOYSA-N 468.941 5.350 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 481739724 JCDBFCYKFROYQF-QHCPKHFHSA-N 475.520 5.663 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)NC3CCN(c4nc5ccccc5s4)CC3)c2)cc1 486753570 PZAVOAIOQLWLOR-UHFFFAOYSA-N 454.555 5.359 30 20 JKED COCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H](C)c1ccccc1 487208554 JQKUXRIRHGJYCQ-SFHVURJKSA-N 477.948 5.179 30 20 JKED CCN(CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 497620266 XYABNZUHGSHEHH-IBGZPJMESA-N 461.587 5.007 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)nc2ccccc21 499160097 XFLQEKZGAKSHFF-HNNXBMFYSA-N 483.881 5.410 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)c1 500996337 JUINMVPFMSAMIV-UHFFFAOYSA-N 485.565 5.213 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c1C 501460360 FUJXNZZXEPLALL-UHFFFAOYSA-N 462.619 5.098 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 502673237 ZGKRMMBQOGWQJS-UHFFFAOYSA-N 488.279 5.786 30 20 JKED N#Cc1cn(CC(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(Br)cc2c1=O 502815776 FFYXHCJMKOQNKH-UHFFFAOYSA-N 459.299 5.311 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)cc2Cl)cc1 508357004 BHVAGMRMRHWJLV-NRFANRHFSA-N 465.962 5.238 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)COc1ccc(Oc2ccccn2)cc1 510270508 NEULZTFTXGBEFW-UHFFFAOYSA-N 451.482 5.864 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510901003 FSCPYYQCXAPVGY-UHFFFAOYSA-N 453.502 5.362 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1C 512961404 JDMOSOONSYKINM-OAHLLOKOSA-N 477.417 5.778 30 20 JKED Cc1nc(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)oc1C 513869981 SNKDFWFCRBVMPD-UHFFFAOYSA-N 454.505 6.204 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 514768728 NSJOUWDSTVHVCC-UHFFFAOYSA-N 459.962 5.580 30 20 JKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)Cc2ccc(C#N)cc2)c1OC 514900695 QFXMGIRSJIQONX-XLNRJJMWSA-N 489.575 5.883 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCc3ccccc32)cc1Cl 515881795 KZPOZJLTWANRKD-GBXCKJPGSA-N 457.961 5.170 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3cscn3)n2)cc1 516270431 YSPMKAVSJFXYJI-LJQANCHMSA-N 463.609 6.058 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 517461995 XUZWCNFIZONIII-KUHUBIRLSA-N 462.402 5.488 30 20 JKED N#C[C@H](C(=O)c1csc(I)c1)c1nc(-c2ccc(Cl)cc2)cs1 518091350 KUADERIWIBAGNT-GFCCVEGCSA-N 470.744 5.620 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N[C@H](C#N)c4cccc(Cl)c4Cl)cc3C2=O)c1 518207936 ZUILIHFRMLSSCE-HXUWFJFHSA-N 478.335 5.406 30 20 JKED Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 518554127 OGEQRQVOXZBZBJ-CVDCTZTESA-N 475.976 5.135 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 518660106 JXUPOAZAJBBLII-SFHVURJKSA-N 471.648 5.144 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1 519516597 SOHUVMOWIBBDHX-IBGZPJMESA-N 473.598 5.201 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 520178096 IFIQVGAYAQVTPN-CQSZACIVSA-N 456.395 5.025 30 20 JKED COc1cc(C#N)ccc1OCC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 520447215 KQJBYTYQMKXAEJ-UHFFFAOYSA-N 483.446 5.164 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2cccc(COC3CCCCC3)c2)CC1 521444923 MJODUMXQWBBXTA-UHFFFAOYSA-N 475.549 5.010 30 20 JKED COc1cc(OC)c(OC)cc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 551705616 FXKFQZXFXUEUFM-UHFFFAOYSA-N 481.936 5.138 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(Cl)c2cccnc12 553338785 MSDUJRUFWRAQJN-UHFFFAOYSA-N 465.884 5.930 30 20 JKED CC(=O)N(c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1)c1c(C)cc(C)cc1C 585688409 MDGAEUVHRGMGEX-UHFFFAOYSA-N 462.644 6.191 30 20 JKED COc1ccc(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 588196116 ALLHZBLHXUNKSF-GDNZZTSVSA-N 466.344 5.423 30 20 JKED N#Cc1c(NC(=O)CCN2CCC[C@H]2c2nc3ccccc3s2)sc2c1CCCCC2 603782529 AXJHNWNBWLJVNE-IBGZPJMESA-N 450.633 5.664 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3ccccc3-c3ccc(Cl)cc3)CC2)c1 608860860 KVBSSLQVVOTHJK-UHFFFAOYSA-N 472.976 5.439 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 608971655 OPTULMWEWKURTR-RUZDIDTESA-N 455.945 5.467 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 609012918 QIARZGBPHPBJPX-OAQYLSRUSA-N 494.473 5.457 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 609028397 YXLHFGVTRKYFCE-OAQYLSRUSA-N 471.538 5.476 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1C 609208883 OXRNJADBABVCHG-UHFFFAOYSA-N 499.615 5.499 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 609435320 GCPDKSLAJMXFHI-SSOJOUAXSA-N 493.654 6.339 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609435392 LQEUKBODXHYTIZ-MQYQWHSLSA-N 453.452 6.112 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 613319172 TUWMYTFVOYSQOQ-SFHVURJKSA-N 463.971 6.267 30 20 JKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1C(F)(F)F 613407540 YMAQOTQAASIFPR-ZDUSSCGKSA-N 460.868 5.953 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)ccc1Cl 619798893 BSDPIKILUULJQQ-UHFFFAOYSA-N 451.983 5.146 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 726398665 LUJQKCQAQIRGTD-KXBFYZLASA-N 494.444 5.687 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@H](C)c1cccs1 726423328 YYNFBFIZDJAMOV-IBLUEHOOSA-N 455.527 5.177 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)cc1Cl 726570967 ORSPZWXBWSQCTR-UHFFFAOYSA-O 481.428 6.355 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)c(F)c2)c1C 727252203 SZOOEQCFGAIVQZ-QHCPKHFHSA-N 493.608 5.128 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c(F)cccc1F 727627420 FWHQEHZYKNFVOW-LRDDRELGSA-N 467.419 5.037 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3cc(C)c(Cl)c(C)c3C2=O)cs1 727781017 ZZESCLBZSXOSMM-DHDCSXOGSA-N 473.381 6.410 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 727952798 QLGRCUALAXKQFA-SJFMBGHLSA-N 459.571 5.487 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccccc1 728061965 CEJOZMIVCPGMDV-LJAQVGFWSA-N 477.564 6.328 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 728424790 IBAMPYYJAKGWAX-UUOWRZLLSA-N 483.597 5.237 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 728778685 ULAUJCKVFQOOSW-SFHVURJKSA-N 493.391 5.787 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3scnc3C)C2=O)c1 729144717 YARSYOGDJFRRRC-NRFANRHFSA-N 492.670 5.846 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@H](C)c1cccs1 729145664 MZUUFBSOMUANQV-QKBOTHQMSA-N 488.635 5.242 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N([C@H](c2ccccc2)C2CCC2)C1=O 729145926 NMMGOIWGSHUWKE-LADGPHEKSA-N 465.619 5.083 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCn2c(S)nc3ccccc3c2=O)cc1Cl 729320512 ZNNFWCSHUOSSIK-HXUWFJFHSA-N 474.973 5.023 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)N[C@H](C)c2cccs2)[n+]2ccc(C(C)(C)C)cc2)c1 729670765 YTBHLROCMREMMZ-OAHLLOKOSA-O 471.624 5.002 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C#N)cc1F 729819054 UIBPCJACESLDPP-HSZRJFAPSA-N 490.535 5.305 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc3cc(Br)ccc3c2Cl)n1 729869770 DAPJBNFBAHJHLR-NSHDSACASA-N 469.769 5.115 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)C1 730438268 MEYSLTHCOGCRKL-OAQYLSRUSA-N 485.053 5.810 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(C2CCC2)C1=O 730458615 BBKFMLVSHOVOKX-FQEVSTJZSA-N 457.983 5.170 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CCC2)cc1 730461047 KODJRBAGBLUKEG-IBGZPJMESA-N 491.585 5.523 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C1CCC1 730463207 UKGIYZVGVLBWTF-QHCPKHFHSA-N 454.555 5.224 30 20 JKED CCCOc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)ccc1OC 730584694 YNCJIDRJIISKPA-UHFFFAOYSA-N 467.378 5.132 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c1 730714307 SZVXAZSVQOJPES-FQEVSTJZSA-N 468.966 5.105 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(C)c2C)s1 730714386 XQCNJVLVQVKBJY-PXNSSMCTSA-N 479.631 5.185 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1ccc(Cl)cc1 731070405 LDBXSLNDYMOYES-KRWDZBQOSA-N 497.020 5.839 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc(Br)cc3)o2)c1 744796366 JGAYVJUMOUPYNW-UHFFFAOYSA-N 485.363 5.059 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c1 747601489 VINOESOTRCGDLM-OAQYLSRUSA-N 478.643 5.271 30 20 JKED CCOCc1cc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)ccc1OC 747610692 FKYJSBAQMGBWEW-UHFFFAOYSA-N 454.596 5.005 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1 750391364 GMONONZTFJKWRW-AVRDEDQJSA-N 483.597 5.509 30 20 JKED C=CCOc1c(Br)cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cc1OC 812432488 AISXJZQXDKDHLU-UHFFFAOYSA-N 479.787 5.105 30 20 JKED C=CCn1c(SCc2nc(COc3ccccc3F)no2)nnc1-c1ccc(Cl)cc1Cl 904729222 DBGXSDHQLVFJSC-UHFFFAOYSA-N 492.363 5.831 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2ccccc2)C=C1 912791111 BXNGFYIHNKUGQI-UHFFFAOYSA-O 458.485 5.087 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccc(C)o2)c1 915116481 HXXYGTVVOJIHJO-QFIPXVFZSA-N 499.539 5.078 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2COC)c1 916057317 PDLXDPAPCLAWGG-UHFFFAOYSA-N 470.978 5.120 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccco2)C1=O 916212602 YZFSOPTXHUVZOO-QFIPXVFZSA-N 481.549 5.368 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1Cl 916212798 YSAXILGZIOXAGW-IBGZPJMESA-N 485.396 5.549 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1ccc(Cl)c(Cl)c1 916217894 XZSRKEOGQSPGDP-LJQANCHMSA-N 494.400 5.157 30 20 JKED CCOc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc(Cl)c1OC 916310060 RLMJSIOGSIXSMX-UHFFFAOYSA-N 453.951 5.376 30 20 JKED CCSc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2[C@H]2CCCO2)cc1 916366255 DMIATTVGJZLUGF-OAQYLSRUSA-N 476.631 5.265 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546254 IHUOEICLCMBJLB-UHFFFAOYSA-N 477.808 5.907 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1 916679436 OPBLIVGIMXRIAI-XZOQPEGZSA-N 497.473 5.667 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 916881425 RJKZKCVQXUDRRO-HXUWFJFHSA-N 469.324 5.542 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 916913345 PVHUZRQTSMHJER-KRWDZBQOSA-N 466.544 5.035 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccccc3Br)cc2)cc1 916913718 RJKSDGOTTFCWSO-NRFANRHFSA-N 477.358 5.552 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1OC 916935574 SIMNKTVBRCOQMK-LJQANCHMSA-N 491.525 5.033 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccccc1F 916946084 JRKDOVUTKBHTSD-IBGZPJMESA-N 484.314 5.654 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1 916950194 SHHVYDKAFPRYGM-YCRPNKLZSA-N 465.351 5.109 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 917035139 BWWNSTSKNODKRP-HSZRJFAPSA-N 464.974 5.280 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)SC1=S 917645252 VSWBEIHPMQARPS-VGOFMYFVSA-N 496.205 5.195 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(C)cc2)C1=O 917703562 OSGQMJRISPQKKD-XMMPIXPASA-N 484.581 5.036 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CN2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(C(C)C)c2)c1 917710789 XLGMGHKNCYFOIX-JPYJTQIMSA-N 494.661 5.062 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O 920174183 RXKFJDDKGQCJSJ-HXUWFJFHSA-N 497.573 5.054 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)N(CCC#N)c3cccc(C)c3C)c12 920680503 IOYOLZNQRBVCMI-UHFFFAOYSA-N 486.528 5.156 30 20 JKED COCc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)sc2cccc(F)c12 920807063 WZNGVCNOFILBDW-NSHDSACASA-N 458.486 6.079 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(OC)ccc2Cl)ccc1Cl 920816297 YCJQWRXYQPJXSV-UHFFFAOYSA-N 491.396 5.636 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 921216089 JWBBPRUMENQWHM-XMMPIXPASA-N 454.523 5.075 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)N(CCC#N)c1ccc(F)cc1 921219856 VMYWCWPEWJLUQO-CYBMUJFWSA-N 492.359 5.748 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)COCC(F)(F)F 921253844 PZZXGUXMRZHTAD-MJGOQNOKSA-N 493.551 5.231 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cccs2)cc1 1318187681 MROSOPCMDFKARS-UHFFFAOYSA-O 452.625 5.446 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)c(C)c2Cl)C1 1782889475 RJCKWFQSMBSOGF-NXQMDHLFSA-N 479.448 5.198 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC=C(C)C)CCC2)cc1 1786547785 FTYSAUNFNQTQBV-JOCHJYFZSA-N 469.626 5.336 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4F)cc3)CCC2)cc1 1786997179 SJSHEHJCLBVAFB-UHFFFAOYSA-N 462.912 5.002 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)cc1Cl 1787881495 RSEIPTYTNVDOSK-UHFFFAOYSA-N 451.954 5.179 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c4ccccc34)cc2)CCC1 1789228446 QLJJPDRPBIWBMS-UHFFFAOYSA-N 462.347 5.264 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Br)cn3)CCC2)cc1 1789453384 YSMXWIFWHNWAAF-JOCHJYFZSA-N 482.422 5.289 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4Cl)cc3)CCC2)cc1 1789705039 JVPVBQKDRJTPSI-UHFFFAOYSA-N 479.367 5.250 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)no3)cc2)CCC1 1790161113 LENRWMGLNPKELU-HXUWFJFHSA-N 496.608 5.015 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)CCC1 1790334826 XVZWQOVWTZVTFK-ZHACJKMWSA-N 466.509 5.213 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCCc4cc(OC)ccc4OC)cc3)CCC2)C1 1790533110 HCPMGNNVXZFIIU-UHFFFAOYSA-N 462.590 5.127 30 20 JKED CC(=O)Nc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)ccc1C 1790747214 OMDHPFMQBLFQNK-HXUWFJFHSA-N 494.595 5.642 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCc4cccc(Cl)c43)cc2)CCC1 1791141728 ZWNONDLDVHMXRE-DYESRHJHSA-N 467.997 5.305 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)s1 1792123374 XAXPBEFDHQCZKK-KRWDZBQOSA-N 459.571 5.445 30 20 JKED CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cn1 1792168324 MUCIUSIGYKOFLA-UHFFFAOYSA-N 482.584 5.364 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4cc(F)ccc4OC)cc2Cl)C3)C1 1792502097 CPROGASGFBRQDX-WKCHPHFGSA-N 482.983 5.373 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#Cc2ccc(Cl)cc2)c1 1792942530 YAFKVMLWHLGZNI-QEIWAGNOSA-N 483.999 5.014 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cc(Cl)ccc2Cl)C3)c(Cl)c1 1800691027 HSDYFLSDACALOR-REPLKXPHSA-N 490.818 5.403 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800812438 DWZDBMLJCWBALF-KYALDGGBSA-N 498.623 5.457 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1803083831 KGIBYGOVINMXOS-QPPBQGQZSA-N 474.630 5.088 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1809752472 DYOAEXGTCPFFMU-CVDCTZTESA-N 465.644 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@@H]1c1cccnc1 1810171124 DAJJSMGXMGKCCJ-VKVVYBDYSA-N 463.666 5.462 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1810273658 GGYSLZPVQNBFKL-XUZZJYLKSA-N 493.705 5.260 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccccc3-c3ccc(C)cc3)[C@@H]2c2cccnc2)C1 1811524404 DOUSYQPXTUHJOZ-YWEHKCAJSA-N 465.597 5.343 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cc(OC)cc2C)[C@@H]1c1cccnc1 1811646475 XPUSXGRKALBOBB-DHLKQENFSA-N 463.622 5.019 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CC3CCC(C)(C)CC3)[C@H]2c2cccnc2)c1 1811939119 FFIZNBONKAPTLN-IGKIAQTJSA-N 472.633 5.188 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@@H]1c1cccnc1)C(F)(F)F 1812676666 BPBIASFUIPWDRR-LMDOGRNLSA-N 473.539 5.036 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)COc2ccccc2C#N)[C@H]1c1cccnc1 1812806720 DTIOICIFYATJRC-CUBQBAPOSA-N 490.648 5.035 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc4occc4c3)[C@@H]2c2cccnc2)c1 1813865554 GVYGZLMIAIIGGF-WMTVXVAQSA-N 478.552 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#Cc3ccc(Cl)cc3)n[nH]2)c1 1814743146 AXVOGOQBNYZOTF-HOYKHHGWSA-N 485.975 5.048 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)[nH]n1 1814829886 YLSODGIVIVEAND-DEOSSOPVSA-N 469.589 5.546 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)[nH]n1 1814830316 UCMMCBHOSJCOJL-FQEVSTJZSA-N 497.596 5.424 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CCCCC3(F)F)n[nH]2)cc1C#N 1815354177 QFCIQCAQPNCTTJ-CTNGQTDRSA-N 499.562 5.200 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@@H]2CNc3ccccc3C2)n[nH]1 1817374049 VJMZDCLCVXKJLD-GBXCKJPGSA-N 477.653 5.459 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)[nH]n2)c1 1817738622 DPSJAXGADKTHMQ-UPVQGACJSA-N 477.634 5.040 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)c1 1817740114 OEXVIPBGWBAKAO-AREMUKBSSA-N 490.567 5.272 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593061 WKMZFAQKHDUGSJ-VGOFRKELSA-N 465.985 5.619 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(CC)nc3ccc(Cl)cn13)CC2 1819597635 GJYJAEAQBXOMFV-DLBZAZTESA-N 498.052 5.001 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820088273 OGAIJYDNMIFQHS-IBGZPJMESA-N 494.502 5.063 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)[nH]n2)c1 1820485622 SPQHGHRCSQMTDP-QFIPXVFZSA-N 472.936 5.036 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)ccc1F 1820915303 OGLHDUMJJPGXLN-SFHVURJKSA-N 493.589 5.245 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2NC(=O)OC(C)(C)C)n[nH]1 1821156506 VYCPDUVBNOAFHJ-DYESRHJHSA-N 481.597 5.275 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4c(Cl)cccc34)n[nH]2)cc1 1821543294 NARFESCTPBWRKB-NRFANRHFSA-N 472.936 5.036 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4c3oc3ccccc34)n[nH]2)C1 1821609429 DQCMCYHMDJGVNB-JOCHJYFZSA-N 454.530 5.581 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)[nH]n1 1822397806 UOTKUBBJTDUDDM-HXUWFJFHSA-N 464.566 5.245 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)[nH]n2)c1 1823212189 GLRYRVHVNZUCHI-YADARESESA-N 467.573 5.074 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)ccc2n1 1823215510 TVKDNIUCVLVOIF-HFJWLAOPSA-N 492.583 5.513 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)c2ccccc12 1823382667 LLAVNOJHJYTHRW-XMMPIXPASA-N 469.589 5.190 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2SCC)CC1 1823659205 BDYARQPJYKDNFK-JOCHJYFZSA-N 457.684 5.419 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](c3ccccc3)N(C)Cc3ccccc3)CC2)C1 1823702949 HIHJPQOJHPIHRF-IHLOFXLRSA-N 499.699 5.446 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1823753749 ZNURFMPWGQZVFK-RUZDIDTESA-N 479.665 5.261 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C(F)(F)F)CC1 1824140860 NTFGBSGZKCXXII-GOSISDBHSA-N 469.573 5.164 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCC3)CC2)ccc1Br 1824352933 UGWXKIMTDUUXQF-HSZRJFAPSA-N 486.454 5.134 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1824501188 RFYLOFYCBMLRRZ-HSZRJFAPSA-N 493.673 5.370 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(F)(F)C(F)F)CC2)cccc1C(F)(F)F 1824847428 LNWCDCCLVGMQFQ-QGZVFWFLSA-N 482.440 5.148 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1)C(F)(F)F 1824989374 MOIICLBKTDRWGK-OAQYLSRUSA-N 486.962 5.237 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825312239 JPPGEJRLWXSSJZ-XMMPIXPASA-N 472.771 5.352 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1826693557 CYNXIDCZOGIPDD-SFHVURJKSA-N 456.801 5.184 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCC#N)CC3)c2c1 1827299300 HICAPBNUQDXSFP-QHCPKHFHSA-N 479.621 5.177 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2F)CC1 1827955676 RVGPGMZASDQWLW-LJAQVGFWSA-N 495.598 5.168 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1828903382 GLLBRWHDMHTHOR-HHHXNRCGSA-N 491.752 5.162 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)cc12 1828906556 UAHWWLBZQFIHTR-MHZLTWQESA-N 491.752 5.761 30 20 JKED COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)ccc1F 1828908626 SXJFZMBWNYIRJF-XMMPIXPASA-N 486.704 5.119 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1829066276 ZNMJXCIORQBYIZ-HSZRJFAPSA-N 493.614 5.645 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829580482 CNTOAEMDIRVSGF-NFBKMPQASA-N 483.703 5.342 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3F)CC2)c1Cl 1829689330 ATJPUSGETPKEAU-OAQYLSRUSA-N 471.935 5.037 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1830130633 PIWGMQNAPZPNTK-GOTSBHOMSA-N 474.686 5.133 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830556086 NNZBUUJDGCPUHM-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1830606421 NGKYENNDRSOKLV-VWLOTQADSA-N 495.664 5.461 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)c(Cl)c1 1830720536 QVPJIMJAFAKAEI-RUZDIDTESA-N 494.010 5.316 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccco3)CC2)cc(C(F)(F)F)c1 1830755480 ZDUCARYJYQXJCA-YQTDCCHMSA-N 485.506 5.117 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830805094 VRYKKWPWYFOSQX-VGSWGCGISA-N 466.544 5.160 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(Br)c(F)c3)CC2)C1 1831238227 DQGAYYUUUFTBLO-QHCPKHFHSA-N 491.445 5.107 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(-c4nccs4)noc3c2)CC1 1831374275 ZFDDFCLTHNEDMA-AVRDEDQJSA-N 492.645 5.397 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1831376510 ROEOMEPMHSHXJZ-HRAATJIYSA-N 454.508 5.290 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831752403 HGIFBMKUMUOKSP-GOTSBHOMSA-N 464.572 5.396 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 1831852481 NDGDPTLXJRORMP-NRFANRHFSA-N 479.846 5.139 30 20 JKED COc1cc(F)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635610 LHWQFDBOLDJTJR-KBMIEXCESA-N 477.580 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4F)CC3)CC2)c1 1832635613 LJVZQAWCICQBSL-JIPXPUAJSA-N 487.619 5.418 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CSc3ccc(F)cc3F)CC2)CC1 1836837141 XVMTZYGGTNKRLL-UHFFFAOYSA-N 494.648 5.048 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)C1 1843201746 QMYPMYDGMXOCAE-UHFFFAOYSA-N 465.597 5.487 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10830063 VGYXKPLTBGHBLG-UHFFFAOYSA-O 469.605 6.317 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(Br)c2)cc1 11085037 IINDNDSUJGWCDX-UHFFFAOYSA-O 482.467 6.357 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113403 KOTLLVJAHIPPCG-UHFFFAOYSA-O 485.645 6.827 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)cc1 11126401 VDZQDNBUCNSRCP-UHFFFAOYSA-O 455.603 6.181 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(-c3cccc(F)c3)n2)n(C2CCCC2)c1C 11167187 WJYIIARKAWKQFD-UHFFFAOYSA-N 480.565 5.079 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cccc(OC)c2)cc1 11259180 WHPLADJTDCLNOE-UHFFFAOYSA-O 460.406 5.903 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11262904 HBHMKZKFMSVTHY-UHFFFAOYSA-O 472.461 7.018 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 14871781 DXUHLMZTQUCQJZ-UHFFFAOYSA-O 462.595 5.793 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 17534974 RNFNOZJEJFXBEC-OLZOCXBDSA-N 470.645 5.734 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccc(CC)cc2)cc1 22732810 UJADHQMPFHTFAX-UHFFFAOYSA-O 468.042 6.256 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)cc1 22802860 JWYRRPRFWDBDQF-UHFFFAOYSA-O 485.673 5.121 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1[C@H]1COc2ccccc2O1 23517648 FJBAANVJQZXDNM-MGPUTAFESA-N 470.982 5.058 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)nnc1-c1ccoc1C 23519612 BRYCJOMVJCCPNV-AEFFLSMTSA-N 450.608 5.269 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nnc1-c1ccc(Cl)cc1 23635007 NTUUQFCDBYGLQP-UHFFFAOYSA-N 482.034 6.218 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)cc1 24224199 UEHLUQHXRSOMFN-UHFFFAOYSA-N 475.961 5.102 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nccn1-c1ccc(Br)cc1 25399566 QCTJBWGFNDHCKS-INIZCTEOSA-N 485.407 5.071 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nnc1-c1ccc(OC)cc1 29833143 CERCFCLGGHQXDI-UHFFFAOYSA-N 495.605 5.712 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 68734833 MCKUPNIVJTXNSS-UHFFFAOYSA-N 497.624 5.568 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 97544688 ZJMHNAKFBFBXSY-UHFFFAOYSA-N 481.027 6.618 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2Oc2cccnc2)n(Cc2ccccc2)c1C 110826963 SSYPFTFEVDRHHF-UHFFFAOYSA-N 480.524 5.008 30 20 JKED C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2sc(-c3ccccc3)cc2c1=O 115023918 YZKRDZSMFURZRJ-UHFFFAOYSA-N 496.545 5.089 30 20 JKED COc1ccccc1[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCCC1 255952424 REWFPJIIZFFWPP-VWLOTQADSA-N 471.626 5.426 30 20 JKED O=C(NCc1ccc(C(F)(F)F)cc1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 409466581 RJVWVXXYZMEXLT-UHFFFAOYSA-N 498.761 5.826 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2cc(Br)cs2)cc1 409820404 ZZSDDBIVGXDYOV-UHFFFAOYSA-N 457.368 5.683 30 20 JKED C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 409831071 LNMDZMACZPTDTB-MRXNPFEDSA-N 458.493 5.265 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 477402435 BQYLWAUBLGRWPH-JOCHJYFZSA-N 455.505 5.301 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)c2C#N)C1 487392594 ZOGIPOPMJPHGJG-CYBMUJFWSA-N 468.604 5.254 30 20 JKED CCCC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 503567181 NOCMWCCOXNBTTR-AOYPEHQESA-N 490.003 5.990 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCC2(c3ccc(F)cc3)CCC2)c1 503896607 XNHALDVZLYSXOD-UHFFFAOYSA-N 473.573 5.280 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2cc(Cl)ccc2s1 507031713 MXZBZKIMHMARBN-INIZCTEOSA-N 461.959 5.749 30 20 JKED COc1ccc2ccccc2c1CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510088999 XPQUIOHCOMUFGX-UHFFFAOYSA-N 461.572 5.186 30 20 JKED COc1ccc(C2(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CCOCC2)cc1 510619250 VHKPSHGDCYUKDT-UHFFFAOYSA-N 485.584 5.210 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1nc2ccccc2o1 510628338 KNIXARAWUYUUNX-KRWDZBQOSA-N 460.287 5.333 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 510870955 ADCMJQFGIQGVPY-UHFFFAOYSA-N 458.537 5.538 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc(C(F)(F)F)cn1 513213964 KHSOTUHRGCDXFE-MRXNPFEDSA-N 465.225 5.525 30 20 JKED N#C[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513672569 SEILDMIZOLHAFT-FQEVSTJZSA-N 455.539 5.345 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513686504 AHNVHMGLTDCYQA-INIZCTEOSA-N 460.584 5.122 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(-n4cc(Br)cn4)cc3)c2)c1 515448910 CQTDTEHBICSRDT-UHFFFAOYSA-N 486.329 5.011 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 515571919 AMLXLKFTERXKCM-QGZVFWFLSA-N 486.410 5.111 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2)cc1 515624390 AAHUUYWKSMQMSK-UHFFFAOYSA-N 498.629 5.920 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 516749135 QDXUFGQJIDNHEU-XMMPIXPASA-N 471.513 5.395 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 518128011 MEQBHHRYGMFZBM-MRXNPFEDSA-N 460.584 5.158 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1nc(-c2ccccc2)cs1 518260629 PGMCFYUCSITVEO-CVEARBPZSA-N 450.589 5.020 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)s2)cc1 518994272 SLXNAAUFEBGIBU-UHFFFAOYSA-N 487.557 5.056 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)cc2)cc1 519978240 MPBYUSDPDFJKJB-UHFFFAOYSA-N 484.562 5.489 30 20 JKED Cc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1NC(=O)c1ccccc1F 521496786 YRNAMJDVQCZWEP-UHFFFAOYSA-N 465.484 6.303 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 521746390 HILWGBXYLURLEN-NSYGIPOTSA-N 493.654 6.197 30 20 JKED C=CCN(C(=O)Nc1ccccc1CN(C)C1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 521809227 YPNKGEXTYYABOH-OAQYLSRUSA-N 473.625 5.208 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 523213901 FXJRXPORDVFALR-QGZVFWFLSA-N 465.038 5.141 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)Cc2cccs2)c1 524185653 SLDSZHZLXQPTNL-QGZVFWFLSA-N 475.035 5.144 30 20 JKED O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 586088915 LVHVJGFUPJAQSV-UHFFFAOYSA-N 477.380 5.290 30 20 JKED O=C(CCc1ccccc1OC(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 589305164 BHBVXRWWGAKHGZ-RYUDHWBXSA-N 451.329 5.544 30 20 JKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(Br)c1 594838765 SXLJSFZCJBFZSL-IEBDPFPHSA-N 465.207 5.422 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1cccc2cnccc12 595869376 LOCXVOWDEPVQIB-MRXNPFEDSA-N 472.480 5.016 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(-c3ccc(Br)cc3)n[nH]2)c1 597858582 NPLRAVOJMQPJKO-MRXNPFEDSA-N 484.423 5.279 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)CC2)cc1 603649641 NEOIKCMGDIFCTE-UHFFFAOYSA-N 485.535 5.440 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCC(c3ccccc3)c3ccccc3)c2)c1 603699977 KAQOUQGNIVOIBI-UHFFFAOYSA-N 475.548 5.024 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2cccs2)cc1 603801634 DHWVJLAAXHNUBM-HSZRJFAPSA-N 475.618 5.230 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)cc2Cl)cc1 604027159 KFYOHDJNHQQRDR-UHFFFAOYSA-N 494.985 5.955 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nnc1-c1ccccc1 604548027 GFFQZPXSBRKNTI-GOSISDBHSA-N 484.585 5.706 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3oc4ccccc4c3CS(C)(=O)=O)c2C#N)C1 608802424 FNLQLMGTHLOWAG-AWEZNQCLSA-N 470.616 5.314 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3c(Cl)cccc3Cl)s2)c(C(F)(F)F)c1 608928695 WSEDICDAYHHLER-UHFFFAOYSA-N 492.331 5.732 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc1C 609024194 GJUKDTFRXIFRAZ-UHFFFAOYSA-N 462.966 5.505 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Nc4ncccn4)c3)cc2Cl)c1 609072841 KVFWVOCYSIDWLH-UHFFFAOYSA-N 455.905 5.577 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 609078599 BUNZZTHFLMBJHX-DEOSSOPVSA-N 468.582 6.424 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cnn(Cc4ccccc4)c3)cc2Cl)c1 609079989 PHPIWRIQBXVNLG-UHFFFAOYSA-N 471.948 5.357 30 20 JKED N#C[C@@H](C(=O)c1cnc(-c2ccccc2)s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344257 CEEVQWDIPJKOIG-HNNXBMFYSA-N 456.379 6.730 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)nnc1-c1ccccc1 613808750 FXPGGSAMTSSQNK-RUZDIDTESA-N 466.610 5.398 30 20 JKED CN(C)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 618541764 IOIULXUMOZLQTL-AOOOYVTPSA-N 451.333 5.366 30 20 JKED C[C@H]1Sc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2NC1=O 642281633 NLSJCKYYMAFCDW-YGRLFVJLSA-N 474.394 6.040 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cccc(C#Cc2cccs2)c1 642480511 XXDOYTRKQPZMFD-UHFFFAOYSA-N 476.989 6.295 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 726320985 AREXBZUZOODNHN-LAUBAEHRSA-N 484.581 5.990 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 726320987 AREXBZUZOODNHN-UWJYYQICSA-N 484.581 5.990 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 726409574 BPIPGKWXPHRNQY-WAIKUNEKSA-N 490.535 5.063 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccsc2)cc1Cl 726410049 XKAOJEYCEWMZDH-NRFANRHFSA-N 495.029 5.111 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C(C)(C)C)CC1)c1cccs1 726421509 NFYIBJYKJAUPLQ-HVJIYZOHSA-N 498.718 5.401 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(F)cc2F)cc1 726569749 JZNFLVKFOXRDAM-UHFFFAOYSA-O 468.549 5.056 30 20 JKED N#CCOc1cccc(NC(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)c1 727305438 LNLLDTPVWMEILS-UHFFFAOYSA-N 494.395 5.553 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](c1ccccc1)c1cccc(Br)c1 729113504 LLNHCVXNTZVPGU-DEOSSOPVSA-N 489.373 5.246 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3scnc3C)C2=O)c1 729141497 AJWJAOHHGPRRRB-OAQYLSRUSA-N 494.642 5.237 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1Cl 730896772 CSIXYIFBJWIFGG-UNMCSNQZSA-N 473.882 5.869 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730945183 PEKRNUQOSWLEQY-FDDCHVKYSA-N 458.587 5.366 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731307817 VPKQSVJYVKNBCX-QVKFZJNVSA-N 483.977 5.230 30 20 JKED N#C[C@@H](NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)c1ccc(F)cc1 733622264 WXXNFERJKFAJHD-OAQYLSRUSA-N 492.626 6.089 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(CCc2ccc(C)o2)C1=O 743524321 JEQNRPUDEIUXCE-HSZRJFAPSA-N 495.576 5.247 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)cs1)c1ccc(F)cc1F 746349359 WOWAVAOGMZTLSD-CSKARUKUSA-N 450.470 5.188 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O)Nc1ccc2ccccc2c1 747599253 IVAFIHIFQQEZOT-JOCHJYFZSA-N 490.585 5.596 30 20 JKED CCn1cnnc1SCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1sccc1C)CC2(C)C 750504216 FVIAXGZZMKCSKV-SREVYHEPSA-N 495.699 6.110 30 20 JKED CCCCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nc2cc(C(F)(F)F)ccc21 750509446 TXHNCZOHLMKPCF-UHFFFAOYSA-N 471.508 5.381 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 750842484 UUFWHGCMRGRXHC-DEOSSOPVSA-N 453.498 5.262 30 20 JKED N#CCCn1cc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c2ccccc21 828589156 FSHHSBQEJDYIPC-OAQYLSRUSA-N 470.598 5.572 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1C 837401842 KSZAHBRSTJXBEO-WMZHIEFXSA-N 458.587 5.420 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)F)cc2)c(C)s1 914694326 HMRQSSJLEBNODU-BFUOFWGJSA-N 493.601 5.328 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 914895767 OOVHGEHHVSNBLI-UHFFFAOYSA-N 483.593 6.036 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1C 915103766 DSXBISMPUQKKQM-GFCCVEGCSA-N 478.546 5.905 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)cc1 915104460 APJUZBZSLOVZRT-WMZOPIPTSA-N 471.504 5.352 30 20 JKED Cc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1I 915293142 BXMRCGLHCRKMCJ-FQEVSTJZSA-N 452.295 5.507 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc4cccc(OC)c4o3)cc2OC)o1 916130027 DZXPUXNBINIRHA-JXMROGBWSA-N 462.454 5.305 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C(C)C)cc1 916205652 IWLFOQPYXCBWTM-HXUWFJFHSA-N 493.551 5.436 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)c1 916206859 TVSBVVQBXCLQGV-OAQYLSRUSA-N 464.978 5.204 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CCCC2)C1=O 916212437 MYMOPAJPMQUQQE-FQEVSTJZSA-N 457.983 5.252 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)cc1 916214894 QEKMFWLVLVTXLU-QGZVFWFLSA-N 464.374 5.148 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1 916217405 MLEWBVUAIOTSED-GOSISDBHSA-N 461.509 5.445 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)c2cc(F)ccc2Br)cc1 916383960 XOWQQAFEFLDCQM-OAQYLSRUSA-N 480.337 5.002 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc(O)c2c3c(sc2n1)CCCC3 916847437 PDNDHNKIIJTZNH-CMUBDUJZSA-N 459.449 5.064 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)nn2-c2ccccc2)cc1 916884020 RJDWZCDYIKHHDI-JOCHJYFZSA-N 470.916 5.162 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)nn2-c2ccccc2)cc1 916884026 RJDWZCDYIKHHDI-QFIPXVFZSA-N 470.916 5.162 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 916914885 XITGMSRUPJQJAI-OAQYLSRUSA-N 479.378 5.247 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916922631 HWDZGKHVQNGYBL-QFIPXVFZSA-N 454.482 5.372 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(SCc2ccccc2)cc1 916930636 FIPLVEQADYJRBT-IBGZPJMESA-N 455.366 6.247 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 916949502 OQSXRVBMRFQXCV-SIBVEZHUSA-N 451.526 5.612 30 20 JKED CC(C)[C@@H](NC(=O)c1cccs1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916994998 ALLPBLIQOYFESF-KBXCAEBGSA-N 478.426 5.809 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc1 917037856 CQMNQIBLJFGUQS-SFHVURJKSA-N 459.354 5.369 30 20 JKED CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)CC2 917602620 NUQZHPILCSPWQJ-GHRIWEEISA-N 462.933 5.618 30 20 JKED CC(=NNC1=NC(=O)/C(=C/c2csc(-c3ccccn3)n2)S1)c1cccc2ccccc12 917622298 AZJLCGQTTJPBMZ-NCKUZSSMSA-N 455.568 5.342 30 20 JKED 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O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccco2)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821151300 IRRYCSODISTRJM-XMMPIXPASA-N 464.525 5.022 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c4ccccc4n4ccsc34)sc2C1 1821191022 IZXZJIKEMRRYFE-HUUCEWRRSA-N 464.616 5.049 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1C 1821277106 GPESBBLLNBPJCF-QFIPXVFZSA-N 491.979 5.180 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)ccc2[nH]1 1821585859 SHFGFGFXZSXFAJ-QHCPKHFHSA-N 486.963 5.344 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1821920457 IHSXFUGDVSQVHH-MGPUTAFESA-N 451.958 5.129 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)[nH]n1 1821921424 PULJPVUBWVTVEJ-JLTOFOAXSA-N 484.398 5.172 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(C)cc2Br)[nH]n1 1821987717 PGHZBKLNDSVMPR-KRWDZBQOSA-N 499.331 5.137 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1)c1ccc(O)cc1 1822466786 BIHQEXNMTHUHHV-SQJMNOBHSA-N 495.583 5.100 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n[nH]2)cc1C#N 1822575496 LXRFWKNIJQYTDJ-ARNLJNQMSA-N 497.599 5.178 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1823215641 YUFRVDJWHKDSLU-LJNLZICSSA-N 493.567 5.802 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1823678220 JXIYOIDBRWFHRM-SANMLTNESA-N 489.019 5.549 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1)C(F)(F)F 1823678257 KOAXTPQDFYBJRB-FQEVSTJZSA-N 467.919 5.173 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1823700130 MGSIGUZZTMAYBR-HSZRJFAPSA-N 467.009 5.800 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c(F)ccc(F)c3F)CC2)c1 1824798904 XERIFXREVSEUAT-AVRWGWEMSA-N 497.561 5.207 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1C 1824805524 YNRXVQMTLJCNMS-VWLOTQADSA-N 494.035 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)CC1 1825689890 UQWCLQHGCFMDPL-NRFANRHFSA-N 463.544 5.102 30 20 JKED Cc1cc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)ccc2[nH]1 1827700463 MLFOJUPOFDKYDX-YCRPNKLZSA-N 483.597 5.100 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1828222009 PJXNICDJTCNVLT-HXOBKFHXSA-N 486.454 5.376 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828318603 PWTREJFWMIVXKS-VWLOTQADSA-N 477.725 5.452 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828979495 WBFIJTRCVVAOEA-LLWWMSDWSA-N 477.690 5.132 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC)nc2)CC1)c1ccccc1 1829030374 NTMBUHXXQVEMIX-IZLXSDGUSA-N 471.645 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1829066563 JKLPHVYVJGQKFV-HXUWFJFHSA-N 468.560 5.833 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1829994345 SFPIYBWNWGEMSL-RUZDIDTESA-N 497.561 5.443 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1830054889 KOEFLQZPDVBRCB-HHHXNRCGSA-N 457.618 5.158 30 20 JKED CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCCC1 1830754619 DBHIOURVVQDSPF-QFIPXVFZSA-N 475.555 5.391 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(CCCCC)cc2)CC1 1831751178 WOCKEVQHMHDZMZ-HHHXNRCGSA-N 496.692 5.091 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1)c1ccc(O)cc1 1831924310 LNQUJZKYNFCDQR-JTHBVZDNSA-N 483.008 5.069 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832585600 UDYHVQOIXMQBBI-HFZDXXHNSA-N 473.617 5.178 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)cc1 1832623247 GHCIUWIZRNPPEG-RUZDIDTESA-N 481.999 5.217 30 20 JKED COc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc(F)c1F 1832634080 NQWJPEYSERRCHR-UUOWRZLLSA-N 495.570 5.148 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1)C(F)(F)F 1832715288 SOAIBZKXNYNIBW-SFHVURJKSA-N 481.317 5.484 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cccc([C@H](F)c4cccc(F)c4)c2)C3)cc1 1841006501 LZANWWNOEUARHB-NDEPHWFRSA-N 499.561 5.206 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CC2(CCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 1845341254 GWIVXYQSBUGNFK-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)C1 1845882880 ZKCODUKBUOUQJI-SFHVURJKSA-N 450.545 5.091 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)C(=O)NC1(C#N)CCCCC1 8750546 JSRHQDCQVYOLMU-INIZCTEOSA-N 484.000 5.550 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(F)cc2F)cc1 11248261 PBFXQYJCZWZEGX-UHFFFAOYSA-O 453.578 6.163 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@H](C)C(=O)Nc4ccc(C#N)c(Cl)c4)cc3)o2)cc1 16288415 MMOMMDMOFCDZLL-MRXNPFEDSA-N 486.915 5.421 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 16772081 MURNWHFEFAWXQM-CQSZACIVSA-N 455.971 5.227 30 20 JKED COc1ccc(CSc2nnc(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)s2)cc1 16836651 UGMYQRAJMLTFHM-LBPRGKRZSA-N 477.036 5.483 30 20 JKED CC(C)Cn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccco1 17000883 NNRMJNKVJAGEGU-OAHLLOKOSA-N 469.636 5.515 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)c1C#N 19020351 LZKRPJUXTWPKIP-UHFFFAOYSA-N 487.608 5.050 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1F 20167351 UBUHAPJZZVSQHA-HNNXBMFYSA-N 465.579 5.513 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nc2sc(-c3ccccc3)c(C)c2c1=O 26176787 RYXWPTBCGUBITJ-KRWDZBQOSA-N 492.651 5.353 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc(Cl)ccc2c1=O 105407715 WOMHSXGHZHHKHJ-GOSISDBHSA-N 493.013 5.328 30 20 JKED Cc1cccc(NC(=O)CSCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 107649242 RFMMINNONKSBNT-QFIPXVFZSA-N 463.990 5.614 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)c3ccc(COc4ccccc4C#N)o3)ccn2)cc1 108323339 ZEQAXEUYZVKHQO-UHFFFAOYSA-N 469.497 5.246 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 255931033 RDAZXUPWIPYDPP-ZDUSSCGKSA-N 497.835 6.123 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](c3ccccc3)c3cc4ccccc4o3)CC2)c1 409477877 YNTGVWWTIVSSBL-HHHXNRCGSA-N 478.552 5.454 30 20 JKED COc1cccc(Cc2nnc(NC(=O)c3ccccc3Sc3ccccc3C#N)s2)c1 410303948 UCIAIKVFQPUPAL-UHFFFAOYSA-N 458.568 5.413 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2F)c1 481598359 QDCJCQVRRSHWBD-SANMLTNESA-N 452.489 5.582 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(Br)c2)cc1Cl 484044364 PNATXRRZQANJPZ-FQEVSTJZSA-N 482.765 5.013 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c12 487470894 ITNMGBQFOOGUEK-UHFFFAOYSA-N 464.554 5.115 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cn2cc(Br)ccc2n1 492196834 WLVLGUMASJTICC-UHFFFAOYSA-N 463.360 5.050 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)c(C(F)(F)F)c1 499526388 DCBCDIBRFGGKLQ-LBPRGKRZSA-N 451.514 5.756 30 20 JKED CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cc1 502857056 PGIHOPWXQYKBIO-QFIPXVFZSA-N 492.417 5.297 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCCCn3cnc4ccccc43)cc2Cl)c1 504071079 TWIPXRKVCBZYJJ-UHFFFAOYSA-N 459.937 5.352 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCC(NC(=O)C2CCCC2)CC1 509022124 KJEOLEIFOQGZGD-UHFFFAOYSA-N 461.581 5.404 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)[C@H](C)c1ccc(C#N)cc1 509605634 PWGDHSOECTXUPI-GOSISDBHSA-N 465.550 5.030 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 510239803 KTWGLHQNAARXCX-UHFFFAOYSA-N 489.475 5.029 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)CC2)cc1 511176027 OIIQTSGXVODALZ-UHFFFAOYSA-N 453.571 5.185 30 20 JKED CCN(CC)C(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 511565230 IUMTYYDIGRHRGE-UHFFFAOYSA-N 486.519 5.359 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)cc1 512544803 JYIHCLVNXMJAFE-QFIPXVFZSA-N 463.921 5.219 30 20 JKED CCCN(CC#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 512787942 MGMFHBYWFUEMNS-UHFFFAOYSA-N 482.005 5.111 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)o1 513839250 GXELHIRXWVCRCS-UHFFFAOYSA-N 482.974 5.780 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 514568454 MZVOMGQNZKNFKS-UHFFFAOYSA-N 450.585 5.033 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(C3CC3)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 515429762 HXAHHFIMSHJTRU-ZDUSSCGKSA-N 468.579 5.872 30 20 JKED N#Cc1c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)sc2c1-c1ccccc1CC2 515628623 IBWIHEDJTUEEBL-UHFFFAOYSA-N 486.622 5.064 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OCC 518516799 ZCIANSVQMYKTMB-LJQANCHMSA-N 479.989 6.403 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1C 518894891 SUPCIJSGIHMHDS-UHFFFAOYSA-N 487.579 5.991 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cc(Br)ccc2F)cc1 518926356 JJJJPKHQOYNJCH-UHFFFAOYSA-N 469.379 5.725 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(I)c1 521730686 TYOOKVNJFXTFHW-LLVKDONJSA-N 456.736 5.449 30 20 JKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524376696 FIHYAPBKACJOOC-SFHVURJKSA-N 457.530 5.163 30 20 JKED N#C[C@H](C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)c1nnc2n1CCCCC2 558236110 IBTJTFDAVOYTMP-GOSISDBHSA-N 471.413 6.094 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)nc2sc(C)c(C)c2c1=O 588380654 QSHLWJVVGRAFFQ-RDTXWAMCSA-N 465.040 5.145 30 20 JKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCc2ccc(F)cc2)cc1 590805808 ADXASDWPRDSEDX-JCGIZDLHSA-N 492.435 6.238 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc(-c3ccccc3)nc21 591862601 XYDNEDBQRYJVAY-GOSISDBHSA-N 471.973 6.432 30 20 JKED C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 604439888 NQDCEKGLPBAQSV-WOJBJXKFSA-N 485.609 5.352 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1C 604449816 JTGWMECTPFFGIV-UHFFFAOYSA-N 497.578 5.457 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 608994855 VMDOYVQGPGTOSP-MHZLTWQESA-N 487.047 6.371 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 609060826 FHRBQRAHKMOMLI-UHFFFAOYSA-N 494.448 6.042 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCSCc1ccccc1C#N 609079007 WITVZXWPDVCKJC-UHFFFAOYSA-N 456.571 5.372 30 20 JKED COc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)cc1OC 609172851 DKMPSUIYIYLRIQ-XMMPIXPASA-N 499.592 5.330 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cn1 609403110 SXPXUOAUVYKPBV-SFHVURJKSA-N 462.575 5.846 30 20 JKED COc1cccc(Oc2ccc(CNCc3cccc(OCc4ccccc4C#N)c3)cn2)c1 609433201 HQSWDYGZBABEGF-UHFFFAOYSA-N 451.526 5.623 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 614072971 PMTXGCUJCBDRRM-AREMUKBSSA-N 486.666 5.383 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 622284236 VBCKHAOZGYYSJF-MRVPVSSYSA-N 461.328 5.842 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 623527638 VLBCKTHIKFZLFK-SDDRHHMPSA-N 496.439 7.191 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)cc1 637324448 YSSWUYULEFEGFA-UHFFFAOYSA-N 489.626 6.019 30 20 JKED C=CCn1c(Sc2ncnc3sc4c(c23)CCCC4)nnc1[C@H]1COc2ccccc2O1 669672258 GWOSWLUJDQPGLR-QGZVFWFLSA-N 463.588 5.011 30 20 JKED C[C@H](OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 725995086 AUSADVLBLRHFGO-NSHDSACASA-N 491.516 5.435 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1Cl 726321195 FLHZNIXWSQDGPQ-INIZCTEOSA-N 492.944 5.138 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 726396131 CWZJUOCAYRZLKJ-HXOBKFHXSA-N 479.577 5.364 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1F 726409925 DVVCNZITWLXDCY-SBUREZEXSA-N 492.576 5.259 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccsc2)cc1F 726411732 NNOARPIJQOZPCY-OAQYLSRUSA-N 483.590 5.365 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(F)cc1C(F)(F)F)c1cccs1 726417186 ZDXMEGHOSMBODZ-SDNHDWIUSA-N 499.555 5.136 30 20 JKED CNC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2ccc(COc3ccccc3)cc2)C1=O 726417195 ZGFMEPXIGBIFBB-VFYDMCDDSA-N 493.654 5.024 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccccn1)c1cccs1 726418460 DATXOFGCCNHVEF-GUPKRBROSA-N 482.606 5.433 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 726420149 HKFMIJJBDBLWIM-PRLFLVJASA-N 498.586 5.148 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 728147998 RMIWLSBYXHLEPE-FXAWDEMLSA-N 482.556 5.120 30 20 JKED C#Cc1cccc(N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)C(C)C)c1 728247583 LPHPVAALXZIBOV-UHFFFAOYSA-N 479.001 5.128 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(OC)ccc3OC)C(=O)N2C2CCCC2)c1 730526619 IETTWOPGCUAFGR-QHCPKHFHSA-N 481.618 5.169 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cocn2)C1=O 730723949 JTEAXRUNUPTRHT-LJQANCHMSA-N 490.919 5.075 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N([C@@H](C)c2cccnc2)C1=O 730944603 YNHXQFQVOWOHBZ-KSFYIVLOSA-N 495.004 5.465 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731307822 VPKQSVJYVKNBCX-YCRPNKLZSA-N 483.977 5.230 30 20 JKED COc1ccccc1-c1nc(C(=O)O[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)cs1 746916808 OLCXAKBFFLXNDV-GMPVXANTSA-N 462.571 5.245 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)N(CCC#N)c1ccccc1 747257448 CQIUKLVABDMIIN-OAHLLOKOSA-N 488.396 5.538 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)cc2)C[C@H](C)O1 747365580 SWKMFHFOAAJMQF-ROUUACIJSA-N 488.613 5.046 30 20 JKED N#Cc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(O)cc2)CC3)c1 755860620 SLAUBKXHEMIYNV-ZHZULCJRSA-N 475.504 5.094 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc21 829521719 XXUBJRRTVCWRQG-UHFFFAOYSA-N 461.905 5.222 30 20 JKED CC(C)Cn1cc([C@H]2N(C(=O)c3ccccc3Sc3ccccc3C#N)CC23CCOCC3)cn1 849529042 CBOITRQKLJARHH-AREMUKBSSA-N 486.641 5.556 30 20 JKED N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)cc2)nc1 904471434 AGMWDBPAOXGOGJ-UHFFFAOYSA-N 470.492 5.861 30 20 JKED CCN1CCC[C@@H]1Cn1c(C)cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c1C 914692725 VKWJAOJNSNTJST-XMMPIXPASA-N 472.662 5.096 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc2ccccc2n1C(F)F 915104640 VAENWUDGCCIENG-GOSISDBHSA-N 457.440 5.148 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 915352234 GHUZSVGOXQJJER-SANMLTNESA-N 492.545 6.101 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1Cl 916056584 FNVUSTNUYJWKKV-NOZRDPDXSA-N 457.961 5.629 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 916155569 KWEPSSQBLRJVTL-UITAMQMPSA-N 455.869 5.107 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 916913916 HTIVDZOUGYTQHY-HSZRJFAPSA-N 465.557 5.422 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1 916925290 IHHIITBUQPLEAX-GOSISDBHSA-N 451.573 5.104 30 20 JKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928670 QRUCSJZBABBXIG-CYBMUJFWSA-N 460.144 5.807 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 916954519 IQFDGPCDJXAAPI-DJJJIMSYSA-N 466.632 5.570 30 20 JKED CCCCc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)CC2=O)cc1 917042893 ISYAERJGENIPAS-PKOBYXMFSA-N 450.489 5.003 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 917043544 MSNGBUPDRBXLBD-SFHVURJKSA-N 453.880 5.306 30 20 JKED COc1cc(-c2cc(C(=O)N(CCC#N)Cc3ccco3)c3ccccc3n2)cc(OC)c1OC 917363077 RIIJJJIPFOFAJE-UHFFFAOYSA-N 471.513 5.077 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cs1 917559935 PGFNIKWGOYPBIN-JYRVWZFOSA-N 465.962 5.504 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cs1 917560247 UDWYLGUXKZKZKS-FLIBITNWSA-N 492.940 6.335 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(C)c(C)c2)n1 917662202 YZPKNVSTBJFNES-QFIPXVFZSA-N 494.020 5.216 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)cc1F 917703429 MIAJFTCHWYFHCI-QHCPKHFHSA-N 472.545 5.166 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(C[C@H]3CCCO3)C2=O)cc1 917712868 IKRWKUMCZDKACW-RPWUZVMVSA-N 493.629 5.152 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(Br)cc(C)cc3C2=O)cs1 920066321 OWNFEOCQKHILKY-MHWRWJLKSA-N 483.387 5.866 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2-c2ccccc2)cc1 920069265 XCRRBJSEJZHAJE-VAWYXSNFSA-N 453.329 5.388 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)[C@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)CC3)c2c1C 920141090 HDKAIHFEXLGNDN-FQEVSTJZSA-N 498.637 5.396 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccc(C)c(C)c2)no1 920353045 ZTZHSJHESLSEJN-JOCHJYFZSA-N 497.020 5.722 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 920355222 MFXQMJYRSDQOOH-FQEVSTJZSA-N 486.956 5.244 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(F)c2F)c1 921291702 WXJJCEVZUVXDIR-UHFFFAOYSA-N 492.931 5.260 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 924644937 RUCPYGRWZRYCQA-KDYSTLNUSA-N 496.563 5.250 30 20 JKED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)C2)C1 1780170958 OWRBVKICKRWNHE-AFMDSPMNSA-N 492.582 5.409 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)C1 1783038651 NCJKWPQCSPILIA-SQHAQQRYSA-N 485.068 5.140 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCC[C@@H]4NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785809200 YEQSWQBXIBRDPL-PKTZIBPZSA-N 481.637 5.170 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@@H](F)c3ccccc3)CCC2)cc1 1788649257 HFJNSJOXNATVAG-XXFRDUSWSA-N 462.546 5.332 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc2)CCC1 1788990683 ZAKXXXCXVRMLNP-QGZVFWFLSA-N 478.980 5.437 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cc2)CCC1 1789107425 SOPULCPNFDNRFT-UHFFFAOYSA-N 480.992 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(OC)cc34)CCC2)cc1 1789454093 PTUPFAKRRKSOPC-QFIPXVFZSA-N 457.574 5.693 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789576582 QMWYNZPIFFEJGN-LQKURTRISA-N 461.562 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCCCO)cc3)CCC2)cc1 1789626219 FOKYZFPZTFFEOM-UHFFFAOYSA-N 464.606 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)CCC2)cc1 1789626341 VOADVQBXBKZTKA-LJQANCHMSA-N 471.642 5.416 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC(C)C)CCC2)cc1 1790519222 HTOCJUPAEJQPPY-OAQYLSRUSA-N 457.615 5.026 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C4CC4)CCC3)cc2)c1 1790796812 KTLOANXOFDQVNE-UHFFFAOYSA-N 456.571 5.262 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)cc2)CCC1)C(F)(F)F 1791451500 RDNZFKKSMLILPA-LJQANCHMSA-N 495.542 5.029 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 1797935743 BMDQGFDPCXDOLH-ZDJFJGILSA-N 499.696 5.011 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc([C@H](C)C(F)(F)F)cc1)C2 1798593619 WJIPWYDOHXFREB-MVWVFHAYSA-N 464.572 5.526 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 1799443461 YLJRVQIDHCQQQH-WQCNXYOZSA-N 494.945 5.009 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ncsc23)[C@H]1c1cccnc1 1802495839 FZJCYGVEYHGJTI-UGKGYDQZSA-N 462.619 5.003 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1802502124 FTDLJVHYGLLHSB-NMIHRBCNSA-N 479.587 5.449 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1803082669 WXDCMYNOULMUFG-DENIHFKCSA-N 480.659 5.149 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803229354 VLJFDVIYTIPNNB-GVXSCFBNSA-N 486.081 5.100 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CSc2ccc(F)cc2F)[C@H]1c1cccnc1 1803487243 UXHJNWUOCUNGHV-YADARESESA-N 487.616 5.150 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc[nH]c4cc2Cl)C3)c1 1803678534 CAWGPDOHZMDMFT-HUJKARHJSA-N 460.965 5.014 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4CCC[C@H]5CCCC[C@H]54)CC3)C2)cc1 1804759507 ZKSUBROHUONURM-ZONZVBGPSA-N 475.677 5.329 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C4(c5ccccc5)CCCC4)C3)CC2)c1 1805239056 FBEROALTOYXUTN-XMMPIXPASA-N 483.656 5.670 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4cccc(OC)c4)c3)C2)CC1 1807442989 NXXYFHJKJZBTMF-UHFFFAOYSA-N 475.633 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(s2)CCCC3)[C@H]1c1cccnc1 1809770519 IOUGCZOMYOSQKR-SGIRGMQISA-N 463.647 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810175316 VHEPHTMQFUNKRX-YYDVJCTNSA-N 489.513 5.328 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[C@@H]1c1cccnc1 1810469051 OLROLDRFHGLBOS-MVNQZMKCSA-N 475.539 5.175 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1810499356 CHSJWZIGFQFTOC-VWNXMTODSA-N 488.657 5.517 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1811695996 AIZGYTCGIDPYIM-UWJYYQICSA-N 490.431 5.406 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811743166 LPISPUGXFPOKMO-UZUQRXQVSA-N 497.357 5.033 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)ccc2[nH]1 1811749457 WUDOFORLYHLXPB-RLWLMLJZSA-N 497.986 5.030 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c(Cl)c1 1811752602 QLRMVZWIMUKHMX-CUNXSJBXSA-N 499.014 5.119 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[C@@H]1c1cccnc1 1812587649 LEHOGPQCZOHKDW-MUXSNRJPSA-N 493.611 5.157 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1812591291 DGLHUXKFYHNJIT-VLUSQRCCSA-N 471.576 5.420 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1812791079 GZNZFHZPUTYAOB-JVGXHWGJSA-N 486.660 5.054 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813231761 XGPYYBKCISASSL-GAJHUEQPSA-N 476.379 5.041 30 20 JKED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1)c1ccc(Cl)cc1 1814661577 XBJLECJDGUKUJR-OPAMFIHVSA-N 461.953 5.044 30 20 JKED CC(C)c1csc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)n1 1816064510 YVPZQKUWNNXLDL-HRAATJIYSA-N 476.606 5.236 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 1818990912 UYTKHWCITWPITK-NRFANRHFSA-N 451.546 5.328 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1819302517 GSZIHPDPHWRMEO-WIYYLYMNSA-N 492.517 5.571 30 20 JKED Cc1c(Cl)ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)c1Cl 1823141168 PJWGGYQPFQAMHC-QGZVFWFLSA-N 460.365 5.025 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)[nH]n2)c1 1823215491 SWYHBVZVANOLPM-SBUREZEXSA-N 467.529 5.403 30 20 JKED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1)c1ccccc1 1823496229 LFPZJWUQPKJLCV-OPAMFIHVSA-N 495.505 5.410 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)cc1 1823683566 NYSPNONUKIYCGW-DEOSSOPVSA-N 486.641 5.034 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 1824954540 HXFRVTVDSBVTFM-XMMPIXPASA-N 454.680 5.037 30 20 JKED Cc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)s1 1827967460 FVWAEKKZLXBIDE-HHHXNRCGSA-N 497.664 5.398 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(Br)nc2C)CC1 1827971184 RFVPCJUDYAPOET-IBGZPJMESA-N 494.499 5.216 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)c1 1828158218 CTOTVBNATQEUHG-SANMLTNESA-N 490.554 5.173 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)cc12 1828577595 WRQRFDAVGVVRJP-VWLOTQADSA-N 489.019 5.549 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2SCC)CC1 1828827849 XKIALLNVVLRBBE-FGZHOGPDSA-N 455.668 5.195 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 1828830374 UUENCJWQZONRJX-JTHBVZDNSA-N 459.030 5.350 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2Cl)CC1)c1ccccc1 1829032059 ISXFCRRGZIKNPX-UPVQGACJSA-N 467.009 5.364 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829233219 TZFRWMASGDOITL-CTNGQTDRSA-N 464.437 5.390 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829747983 QUEIDEINRSPVMU-JYFHCDHNSA-N 460.622 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1830455473 DVDROBAINKHVLV-RUZDIDTESA-N 479.665 5.261 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cc(Cl)ccc3Cl)CC2)CCC1 1831240078 PWGKXDSSRHVMJF-JOCHJYFZSA-N 476.448 5.240 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3ccc(Br)cc23)CC1 1831376770 SJMCVTXIXWTEMQ-KOSHJBKYSA-N 498.465 5.443 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1831446427 LSEOELKDYISRKN-XMMPIXPASA-N 467.560 5.193 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1831508788 GFBWVKOPRGWCHR-FQRUVTKNSA-N 478.036 5.639 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1 1832629221 MCNAEPSCMVQRLG-JSURNVDOSA-N 487.566 5.280 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832631345 CWMWXJZGTZBCKT-CUNXSJBXSA-N 489.685 5.648 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832830348 RKNLRQUGPVWUFC-LJQANCHMSA-N 455.813 5.294 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCCCCCCCCC(=O)OC)CC2)C1 1832933879 YYJWIKDVUGBIFJ-AREMUKBSSA-N 488.713 5.646 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)CC1 1838390860 PZVARGDIFDRWJT-UHFFFAOYSA-N 494.752 5.227 30 20 JKED N#CC1(C(=O)N2CCCC23CN(C(=O)c2ccc(Oc4ccc(C(F)(F)F)cc4)cc2)C3)CCC1 1846975349 NLNKBFJGMLBJGR-UHFFFAOYSA-N 483.490 5.009 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10178981 HRVGMYNZECIPTK-UHFFFAOYSA-O 499.270 7.201 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)c4ccccn4)c3C#N)C(C)(C)C2)o1 11026940 VJCLYPHDYATBTQ-CSKARUKUSA-N 473.554 5.490 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2ccccc2C)cc1 11168006 HZBYUWYNXQWCDZ-UHFFFAOYSA-O 492.665 5.969 30 20 JKED CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 16086109 IVABQHNGJRGEMI-UHFFFAOYSA-N 484.677 5.159 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1cccc(Cl)c1C 22728147 BCNWGVKKGKZKEO-UHFFFAOYSA-O 488.858 6.312 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccoc1C 23519807 ISUSYZQYBIYSNV-SFHVURJKSA-N 476.602 5.334 30 20 JKED COCCCn1cc(C(=O)c2cc(F)ccc2OCc2ccc(Cl)c(Cl)c2)cc(C#N)c1=O 68945180 HZFSDOTWFSNKMM-UHFFFAOYSA-N 489.330 5.012 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)s2)cc1 104689416 KAYXBHVWOLNPJI-UHFFFAOYSA-N 492.607 5.454 30 20 JKED CCc1cc(C#N)c(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)s1 195535786 LZAOSDMWMAWJEI-UHFFFAOYSA-N 454.349 5.449 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 255951557 MTNLJOVCXQEKCT-UHFFFAOYSA-N 460.609 6.106 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 303019187 ZDCXVJSZVQGYHT-UHFFFAOYSA-N 464.352 5.130 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 409816738 ZGCQRQCJQWLZDX-IBGZPJMESA-N 485.462 5.239 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-n3cccn3)c2)nnc1-c1ccc(Cl)cc1Cl 480151487 ACXBKQLABHGHDO-UHFFFAOYSA-N 485.400 5.354 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)cc2F)c1 481012536 KTHDMFOIMDQURY-XMMPIXPASA-N 477.923 5.136 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 494165562 WWJSSDXMAZFKMH-UHFFFAOYSA-N 473.432 5.897 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3nnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)s2)cc1 499285909 GAACHZPKPCJYTR-UHFFFAOYSA-N 494.502 5.335 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2ccco2)nnc1-c1ccc(Cl)cc1 499338433 VHBLUXCEFPEHJA-QFIPXVFZSA-N 464.978 5.375 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1nnc(SCc3ccc(C#N)cc3)s1)O[C@@H](C)C2 500123263 LEHZIRFRUOQPHR-ADLFWFRXSA-N 492.626 5.166 30 20 JKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 501984471 JKQDVROWDGSESI-UHFFFAOYSA-N 453.391 5.122 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(OCc3cscn3)c2)cc1 504050542 GSVZAXNJOSWWLT-UHFFFAOYSA-N 472.545 5.967 30 20 JKED Cc1nc(NC(=O)c2csc(-c3cc(Br)cs3)n2)sc1SCC#N 504717786 VGLJRUPKLQISLK-UHFFFAOYSA-N 457.425 5.267 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 507528126 IBOFNEFKYHQSBZ-SFHVURJKSA-N 469.635 6.774 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 512794229 YIFKKDYKILLVGX-UHFFFAOYSA-N 480.014 6.351 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 517532622 ODKFDNDGPBOYEY-XHCCPWGMSA-N 487.625 6.278 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H]3CCN(c4cccc(Br)c4)C3)s2)cc1 517753097 HQYSUZVEUTVZOI-GOSISDBHSA-N 496.434 5.016 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1Cl 519107137 SUXJZWFHZXCXLM-AVRDEDQJSA-N 482.392 6.090 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)cc2)c1 519509089 YUAHMNWXRDABML-UHFFFAOYSA-N 483.837 5.856 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1 520444974 ISPIHTUCXDXLDX-AREMUKBSSA-N 479.584 5.299 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 521329939 VXASLCMXFFOHQV-MRXNPFEDSA-N 471.629 5.124 30 20 JKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc(-c2ccccc2)cs1 522489081 JFQZXHOPTJFJNR-GOSISDBHSA-N 468.563 6.129 30 20 JKED COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(Br)c1 523378862 GRDLIBOXBKAXGH-IBGZPJMESA-N 455.739 6.019 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 524707466 QWRSURTWVDXJMQ-FQEVSTJZSA-N 459.354 5.061 30 20 JKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590875162 IZYFEBWGSNZKPJ-CHWSQXEVSA-N 494.382 5.596 30 20 JKED CN(C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)c1ccc(F)c(F)c1 594470697 OHENIQXTQIRMMD-UHFFFAOYSA-N 466.744 5.432 30 20 JKED C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 603908426 SVVPKNRZGBYDRT-QGZVFWFLSA-N 489.000 5.222 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 604003454 FRXSVDKCORNKMI-UHFFFAOYSA-N 464.447 5.339 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(Cn3cccn3)c2)cc1Cl 604084750 HTVMKFJZUOXAMD-DEOSSOPVSA-N 455.949 5.562 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)cc2Cl)c1 609062445 QDQLXSJBSTYXIG-QFIPXVFZSA-N 479.989 5.024 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)O[C@H](C)C2 609326880 VLCAJUAEVIUABJ-XORNHQRDSA-N 455.514 5.210 30 20 JKED CSc1cccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)c1 609378579 WIZJVYSBEZRIMP-CQSZACIVSA-N 479.549 5.425 30 20 JKED N#CCCSc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 609385971 VCLMDPUHUPUHNO-SFHVURJKSA-N 452.630 5.605 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3)o2)c1 613320484 ZUQSQDXAODLTPL-JOCHJYFZSA-N 496.979 6.979 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1nc2cc(Cl)ccc2s1 613407300 PLWKNAJXHCGWPB-SFHVURJKSA-N 474.998 6.380 30 20 JKED O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301973 ZOGWNVUGBISUFK-RYUDHWBXSA-N 492.420 5.338 30 20 JKED C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618450651 MCCOTWFIIYNIDA-BBBLOLIVSA-N 470.763 5.749 30 20 JKED N#C[C@@H](C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1nc2ccccc2n1C(F)F 619753782 GNHPDVXJZJETHU-FQEVSTJZSA-N 471.442 5.913 30 20 JKED COc1ccc(C)cc1-n1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 620379638 IQVNNXMEUMTVHG-AWEZNQCLSA-N 456.449 5.308 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc12 642157875 OOERFVJQGBKPNL-IMRBUKKESA-N 493.448 6.174 30 20 JKED C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1c(Cl)cccc1Cl 726315979 RAUNVYGUJJBKLD-OXQOHEQNSA-N 466.368 5.507 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(C2CC2)C1=O 726416409 VOSWUEDKFGNNCO-QHCPKHFHSA-N 481.618 5.385 30 20 JKED COc1ccc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccs2)cc1NC(C)=O 726430387 YOKMATGNYYOWQV-BENRWUELSA-N 457.555 5.523 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@@H](C)c2cccs2)[n+]2ccccc2)C=C1 726580262 WSWVOLAFOMAYFP-KRWDZBQOSA-O 452.625 5.004 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 726754851 UIWBZUKFSRXSMH-UHFFFAOYSA-N 492.963 5.850 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2Oc2cccnc2)n(-c2cccc(F)c2)c1C 728098609 AQMLNMSOFMNMGM-UHFFFAOYSA-N 484.487 5.088 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1nc2ccccc2n1C(F)F 728766092 XLWMMRWFZDZQRT-CYBMUJFWSA-N 470.530 5.055 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccccc1F 728778933 VWZNKIKUJALTMB-LJQANCHMSA-N 493.391 5.787 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 729370866 YPNDMNHZJWCWRH-VWLOTQADSA-N 471.557 5.536 30 20 JKED N#Cc1cccc(OC2CCN(Cn3nc(N4CCCC4)n(-c4ccccc4Cl)c3=S)CC2)c1 729466844 BPTCHZQFXUGWSC-UHFFFAOYSA-N 495.052 5.029 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1C#N 729633576 YJHBEFPBIGZBEM-QHCPKHFHSA-N 476.602 5.157 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(C2CCC2)C1=O 730459997 RMNGNIFVGDFKTR-HXUWFJFHSA-N 485.993 5.168 30 20 JKED COc1ccc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 730579282 GAVAZTJWFYCUFD-NSIKDUERSA-N 472.497 5.205 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2csc3ccccc23)c1 730711868 ITSYFYULPUSSMW-OAQYLSRUSA-N 487.610 5.160 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1 730712468 KSRLAQYOAABEKO-QHCPKHFHSA-N 470.554 5.297 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730942931 ZLWNNQMIEXFKRX-OYHNWAKOSA-N 496.539 5.090 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccsc1 731310156 BKYBEZKKOSJKTB-HXUWFJFHSA-N 486.018 5.576 30 20 JKED CCOc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)cc1 731310908 SIKMPUZSOFZKGJ-QHCPKHFHSA-N 493.560 5.091 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@H](C)c2cccs2)s1 731311476 CLVZVRJUYMQKCT-PDNRQDKUSA-N 485.656 5.414 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CCc1c(C)noc1C 745868150 YHURTBRQFHOHEF-QFIPXVFZSA-N 464.547 5.445 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCCOC2CCCC2)C1=O 747044156 OQIJXQYQVCHHNQ-HSZRJFAPSA-N 481.618 5.005 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O 747600236 OCNMOOZXFKJGIR-NRFANRHFSA-N 494.642 5.135 30 20 JKED CC(=NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1sc(-c2cccnc2)nc1C 747601712 GCBZAPMTEKFCTE-UHFFFAOYSA-N 466.401 5.185 30 20 JKED COc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCCC(C)C 747610965 PXNJNEARWPOODC-UHFFFAOYSA-N 461.587 5.749 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Oc1ccccc1SC(F)(F)F 748051236 PUSHPBVXVBYSPP-UHFFFAOYSA-N 476.270 5.316 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1 748987566 ASUFRVLWOUPDFA-RPWUZVMVSA-N 476.374 5.710 30 20 JKED C=CCN(C(=O)COC(=O)c1c(C)noc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 749045494 VKUVSGDEKYTZSJ-UHFFFAOYSA-N 466.346 5.098 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@H](C)c3ccccn3)C2=O)c1 837908399 WMHDLPYESUSCMZ-WZONZLPQSA-N 493.032 6.073 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 838571650 OZWJRZWAAIMSGB-QGZVFWFLSA-N 469.435 5.106 30 20 JKED C[C@H](OC(=O)c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1C#N 849205865 VVPNTLYEKWZLPU-INIZCTEOSA-N 479.330 5.084 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccccc2Br)s1)CCCC3 912780873 KHNWSTVBNNPUMO-UHFFFAOYSA-N 470.417 5.710 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccs2)c1 913117947 JRDPCMQJMCLLJP-QFIPXVFZSA-N 492.626 5.175 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)cc1 914910271 ZTPAEPRUFZFHNS-CQSZACIVSA-N 481.599 5.123 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(OCc3ccccc3)cc2)cc1 915758740 IKMOLNMYRLUXAJ-NDEPHWFRSA-N 475.548 5.176 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CC(C)C)C2=O)c(OC)c1 916205862 SOIFDRVWWIJYQS-FQEVSTJZSA-N 493.988 5.113 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccco3)C2=O)c(OC)c1 916206980 BNFMMBWYJWUBIX-HSZRJFAPSA-N 493.585 5.074 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 916207055 XEMLSRPXSZAQDG-QGZVFWFLSA-N 484.380 5.129 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)cc1OC 916213002 WCQDKHQBQZTRIB-XMMPIXPASA-N 489.597 5.173 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)cc1 916213871 IDRIFVQPSAPFCO-QHCPKHFHSA-N 494.567 5.125 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc2ccccc2n1 916848904 QESPVHAWALEQRB-SFHVURJKSA-N 474.314 5.262 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc12 916928122 UMBWHKIZBFDMHF-KRWDZBQOSA-N 483.380 5.723 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cc1Cl 916928585 OFKVBYGFGACGHC-UXHZXRBQSA-N 459.329 6.222 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 916955654 SOKKXPPJCAXYPG-QAPCUYQASA-N 490.610 5.048 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)o2)cc1 916971943 GDRFRSLZYHOKIW-SFHVURJKSA-N 462.556 5.146 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995029 ARAXCJZBFXLFHJ-DOMZBBRYSA-N 474.344 5.485 30 20 JKED COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccc(Br)cc3)c2C)cc(OC)c1OC 917143128 CEBDDKFITMBZNM-ZHACJKMWSA-N 471.351 5.174 30 20 JKED COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1NC(=O)OC(C)(C)C 917335604 IEADWWLWMJJIKZ-UHFFFAOYSA-N 489.597 6.458 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)c1ccc(OCc2nccn2C)cc1 917517602 JGJPOXJNGUELLR-QXMHVHEDSA-N 450.901 5.182 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 918491567 DHCMYHHGUMCNTL-CQSZACIVSA-N 457.278 5.334 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)c12 919205586 JFBVQRWTOGIMJI-LJQANCHMSA-N 475.593 5.110 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(NC(=O)c3ccco3)c2)n(C2CCCCC2)c1C 919530368 URTLQLMBWWSINK-UHFFFAOYSA-N 488.544 5.123 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 919713500 FEORYZVNOIPBDX-JOCHJYFZSA-N 486.369 6.331 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccoc2C)ccc1Cl 919827231 KCYDRBZEAYTCRE-UHFFFAOYSA-N 493.412 5.548 30 20 JKED CC(C)CN(CCC#N)Cn1nc(CN2CCCCC2)n(-c2ccccc2C(F)(F)F)c1=S 919945152 XXGQXLDKNBIMRK-UHFFFAOYSA-N 480.604 5.237 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)c1 920106041 JJWOSNLTGMXNGF-QFIPXVFZSA-N 486.549 5.066 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 920144009 VWQWWIKPPKAXMX-WBMJQRKESA-N 491.794 5.878 30 20 JKED CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 920783989 WSQHKXLBBRONMJ-RUZDIDTESA-N 480.534 5.957 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc4c3oc3ccccc34)CCO2)C1 1779242605 COIVUVRRZXYHAG-MUUNZHRXSA-N 460.574 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1Oc1ccccc1)C2 1779270356 DBBGOQTUUQHCFR-UCVANPEUSA-N 488.628 5.375 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3ccc(Cl)cc3c2)C1 1781257531 JVIRZCLCTGUDPL-YIXXDRMTSA-N 484.040 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)c(C)c2Cl)C1 1782888172 MWWLOQSSRXFTHX-PXDATVDWSA-N 479.448 5.198 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc4sccc4s2)C3)c1 1782972670 XZFFDWHUCCORBY-UIIQVKDUSA-N 493.654 5.031 30 20 JKED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCc2ccccc2)C1 1783206989 BLKKTZXILPGCQK-UJCCJREASA-N 498.708 5.065 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@H](O)c4ccccc4Cl)CCC3)cc2)cc1 1785797773 LLCVYSLEMYQLCF-AREMUKBSSA-N 487.987 5.012 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)c(F)c(OCC)c4F)CCC3)cc2)C1 1785810268 IWAKFUPFLQARQC-UHFFFAOYSA-N 458.480 5.217 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1786372723 UFOFTCSCABKZCV-MRXNPFEDSA-N 451.954 5.160 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3csc(-n4ncc5ccccc54)n3)cc2)CCC1 1787135181 UXLQKPFCSSUZIJ-UHFFFAOYSA-N 483.597 5.033 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)s1 1787336085 IBUFGCWJBQPCGI-MRXNPFEDSA-N 458.587 5.449 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5cc(-c6ccccc6)ccc45)cc3)CCC2)CC1 1788394541 DXHOQVYYZGPOKH-UHFFFAOYSA-N 475.552 5.281 30 20 JKED C[C@H](Nc1nccs1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1788621567 HJPWESWNRINVMO-ROUUACIJSA-N 473.602 5.018 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc5ncsc45)cc3)CCC2)c1 1789344309 LMPNJIZJLIHPJA-UHFFFAOYSA-N 470.529 5.369 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)CCC2)cc1 1789457844 BSHXTLPWGAYKJW-LPHOPBHVSA-N 486.538 5.046 30 20 JKED Cc1nc(CC(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)cs1 1789507804 XAAAUXAQOAKIRR-UHFFFAOYSA-N 467.711 5.179 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)s4)cc3)CCC2)c(Cl)c1 1789862674 SEHMHEMFRWEFDT-UHFFFAOYSA-N 471.369 5.383 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)c(F)c4)CCC3)cc2)c1 1790148341 RBGMOGSLLOCSTR-UHFFFAOYSA-N 470.426 5.106 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4C(F)(F)F)CCC3)cc2)cc1 1790289600 DKLFVSXWGHGOBT-UHFFFAOYSA-N 464.447 5.034 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c(C)n1C 1790767659 DFOVCQOFFQAZGH-UHFFFAOYSA-N 460.965 5.229 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCCc4cccnc4)cc3)CCC2)c1Cl 1791950658 GWYIHZOAUVATCI-UHFFFAOYSA-N 472.976 5.377 30 20 JKED C[C@@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126395 GDYHQJUSBDHKBX-PMACEKPBSA-N 455.558 5.533 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)CCCN(C(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1792387517 AYLVUXRGJOSDCU-NDEPHWFRSA-N 495.664 5.514 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1802964147 WKYBOYHYDRYLIA-OUTSHDOLSA-N 493.994 5.260 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1803084458 QFPHKNLTYKBFCZ-AHWVRZQESA-N 484.600 5.133 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1803092098 IVGBMMINTUBDMU-WMZHIEFXSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1803124909 YQTNKUYLSCZTNS-BVAGGSTKSA-N 465.613 5.242 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(C(C)(C)C)nc4)C3)CC2)c1 1804714576 FDYSNGFFUMXYFJ-NRFANRHFSA-N 472.633 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1807970713 JEZQGRQYRKOSGF-WIYYLYMNSA-N 482.675 5.373 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809439824 DYUOVRJKQMYITG-NBGIEHNGSA-N 494.060 6.038 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1810503274 PIFUCSVOQWHEIP-AUSIDOKSSA-N 477.630 5.314 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1811200612 GOMQJYWRIOLJEA-IGKIAQTJSA-N 482.628 5.456 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)cc1 1811361098 VXCWNQCSARONOW-RDPSFJRHSA-N 486.622 5.057 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(F)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811787212 BQGJGFFDWVXLFJ-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[C@H]2c2cccnc2)C1 1812217429 LAKMXJWEDMAADH-JIPXPUAJSA-N 480.568 5.109 30 20 JKED C[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC1 1813550174 UXVHUOHXFZNAJV-ISYUWZRGSA-N 498.549 5.118 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3NC(=O)OC(C)(C)C)[nH]n2)C1 1814397072 BEOQDXOUWWABIN-NRFANRHFSA-N 479.581 5.029 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)ccc2F)n[nH]1 1814614979 DCFVGKORJALLBA-OXJNMPFZSA-N 489.389 5.386 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)[nH]n1 1815207667 GWHMESMMYGQZPB-HSZRJFAPSA-N 499.055 5.550 30 20 JKED CO[C@](C)(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](S)C(C)C)n[nH]1)c1cccc2ccccc12 1815241510 FFRIDZPGKCDUSN-GYZWWNDVSA-N 494.661 5.071 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)c(Cl)c1 1816696576 LTSRTEDCJMKUAE-NRFANRHFSA-N 453.974 5.211 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COCc2ccc(C)c(C)c2)n[nH]1 1818138399 TYVKFABVWICEMF-UPVQGACJSA-N 464.610 5.004 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1)c1ccc(O)cc1 1818632982 RLADEPGGLQUFKV-YKSBVNFPSA-N 496.567 5.365 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1Cl 1819029146 PHXZASSXWLUGJJ-MRXNPFEDSA-N 496.017 5.831 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1819479935 YWPDUAXVNUHWCL-BULNNFJJSA-N 497.555 5.220 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)n[nH]1 1820109336 UCDUGPKUQGYLJS-RUZDIDTESA-N 494.599 5.453 30 20 JKED CCOc1ccccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1820454893 SSDKOYZOBXJIFU-JPYJTQIMSA-N 471.561 5.055 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)[nH]n2)CC1 1820976911 CZWBEASVBCVDOL-QHCPKHFHSA-N 461.610 5.123 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126070 HPDBHGOZPHIKCK-SJLPKXTDSA-N 488.963 5.342 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821279773 IDSWPOVMVRGRRY-NRFANRHFSA-N 498.370 5.216 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3)[nH]n2)cc(C(F)(F)F)c1 1821309123 WSIGCPRXZOJWAJ-QFIPXVFZSA-N 495.505 5.239 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccoc34)n[nH]2)c(Cl)c1 1821536967 KNMIWJPXLAQSGI-NRFANRHFSA-N 473.920 5.301 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2OC)n[nH]1 1821844640 ASDWIRBFVVDKBW-NRFANRHFSA-N 471.001 5.075 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1821924445 BYTSVZRGLFSAJW-QVKFZJNVSA-N 451.958 5.129 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1821987561 DPIFZNBAXCOQAK-HNNXBMFYSA-N 474.405 5.085 30 20 JKED Cc1cc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1F 1823203332 BESHJUKHQNSOLN-NRFANRHFSA-N 483.906 5.141 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)[nH]n2)c1 1823213003 OEQZOAJJKCTLOK-XOBRGWDASA-N 497.386 5.358 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823676180 QKZHGTBDIUBZQF-YADHBBJMSA-N 462.059 5.009 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1)c1ccc(Cl)cc1 1824249599 WKSMCJLLOXJGAF-IJTAEOAESA-N 498.067 5.411 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1824538206 JBCSWDBBDQAOLP-VQTJNVASSA-N 474.564 5.032 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1824959059 PDXSYSKPGRCZSG-JOCHJYFZSA-N 493.595 5.339 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1)c1cccs1 1827681004 BJSLVDPBORXHOB-LKSULFPWSA-N 494.632 5.050 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1828169423 MFRXOOFWXOJVIV-JTSKRJEESA-N 486.454 5.376 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c1 1828188198 MFBGTFMKHNBRHT-RUZDIDTESA-N 469.585 5.171 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1828779478 ZTHUQXMDXGDDOA-CVDCTZTESA-N 481.687 5.228 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2Cl)CC1 1828822119 XDVGKEJCLKNOJK-LADGPHEKSA-N 461.021 5.410 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)C)nn2CC)CC1 1829068779 PUFDAJAVXUVVLO-QHCPKHFHSA-N 456.675 5.252 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829597951 LDXZUCVYDWAUSD-QHCPKHFHSA-N 461.631 5.706 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829598065 QVYFSAYDEWUVIU-JTSKRJEESA-N 481.687 5.448 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)n1 1829688019 OAVFBHIKKBDVTI-OAQYLSRUSA-N 485.053 5.339 30 20 JKED Cc1nc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)c2s1 1830718996 QFFKXGFCXRDNDM-XMMPIXPASA-N 490.604 5.163 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4sc(C)nc4c3)CC2)c1 1830769174 IULBUOZYEDYMCT-RUZDIDTESA-N 486.641 5.332 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c1 1830769562 SPELROGRWYRLIY-XMMPIXPASA-N 472.614 5.024 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)cc(C(F)(F)F)c1 1832477437 XEPMNUACRRXUSL-HSZRJFAPSA-N 487.566 5.391 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1832677413 DFQKSCCLRFBTCC-XMMPIXPASA-N 462.638 5.302 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1836132576 DHLDUBYPUHJYAH-UHFFFAOYSA-N 486.056 5.264 30 20 JKED N#CCC(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCCCc3ccccc3)CC2)CC1 1837638062 QRBYATJTCPAITR-UHFFFAOYSA-N 495.708 5.652 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CCc3ccc(Cl)cc3Cl)C2)c1 1845934640 JMHHQPDFCFJQHX-QGZVFWFLSA-N 470.400 5.070 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174135 MTXQOVFGXSACCF-UHFFFAOYSA-O 487.567 6.411 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccccc2CC)c1C 10833079 ITZNTTYUVLXKQM-UHFFFAOYSA-O 485.029 5.362 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1C1CC1 20969963 NBEXYIDAERYNBE-IBGZPJMESA-N 458.509 5.832 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)nnc1-c1cccc(C)c1 21333974 VEBONLFODQRRNV-UHFFFAOYSA-N 485.516 5.392 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)Nc3ccc(C#N)c(Cl)c3)c3cnn(C(C)C)c3n2)c(C)o1 21597274 BBFOJQKNMVHGRG-UHFFFAOYSA-N 491.935 5.210 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccoc1C 21924784 XKPSWZSEPRKFQW-UHFFFAOYSA-N 457.770 5.724 30 20 JKED C[C@@H](Sc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)C(=O)NC1(C#N)CCCCC1 22119551 ITVNKFUYQGAIAS-MRXNPFEDSA-N 478.643 5.148 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1ccc(Cl)c(Cl)c1 22735251 SUCIZMOIMHFROZ-UHFFFAOYSA-O 484.472 5.931 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)NCCc2ccccc2)cc1 22735332 VJDRMAQQOKJOBJ-UHFFFAOYSA-O 496.494 5.805 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)nnc1-c1ccccc1 26232892 AAGGBNAGRGHRPN-UHFFFAOYSA-N 474.565 5.114 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1 29811385 CLJMACAYZRCZFH-UZUQRXQVSA-N 491.979 5.419 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1Cl 68735107 SZQYZYVVMZCZDD-UHFFFAOYSA-N 468.941 5.398 30 20 JKED O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 303187701 LNPYBXBNVKOKGT-QGZVFWFLSA-N 498.398 6.772 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Br)cc1Br 303276907 JAOOQZUQVKVBKP-GFCCVEGCSA-N 484.213 5.623 30 20 JKED COc1ccc([C@@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)N2CCCCC2)cc1 497710213 FVWDKNLQIAFWBW-HHHXNRCGSA-N 485.632 5.046 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)Cc2cccs2)nnc1-c1ccc(Cl)cc1 498292195 LBONJMQRHLXMPO-UHFFFAOYSA-N 485.034 5.760 30 20 JKED C=CCN(C(=O)CCNC(=O)c1ccsc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502944750 KKTIGOGRMAUFNO-UHFFFAOYSA-N 466.415 5.518 30 20 JKED C=CCN(C(=O)CCNC(=O)c1cccs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502977541 WWMAQSRJGKPJRV-UHFFFAOYSA-N 466.415 5.518 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N[C@H](C)c1cccc2ccccc12 503674575 FPIDZHIHYIZUQI-GOSISDBHSA-N 493.032 5.819 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)CCN2CCCCC2)cc1 505771783 IJYDSYKZBMWNOE-UHFFFAOYSA-N 484.625 5.776 30 20 JKED COc1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c([N+](=O)[O-])cc1OCc1cscn1 509862370 GXGGTZWVVXQIDG-UHFFFAOYSA-N 485.521 5.291 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)s2)cc1 510234838 FQEXNAMTYGJZGH-GOSISDBHSA-N 490.441 6.378 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1 510504669 BFQKWAUOIKFEAQ-UHFFFAOYSA-N 498.630 5.073 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC(F)F 510674125 HNZLQKUUVAGJTP-UHFFFAOYSA-N 453.445 5.624 30 20 JKED C=CCn1c(SCc2csc(C(=O)OCC)n2)nc2scc(-c3ccc(C)cc3)c2c1=O 514562775 WTKURIAQJUJTSM-UHFFFAOYSA-N 483.640 5.545 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc2cc(Cl)ccc2s1 515540026 BLTXHNGVMKDNCT-ZDUSSCGKSA-N 472.378 6.407 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1Cl 515902920 HPCRNQQRNDENRI-IBGZPJMESA-N 472.759 5.557 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c(C)c1 516635603 BACWNWNAOHSBPG-UHFFFAOYSA-N 453.542 6.094 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 516795706 VPXJIWWANWLYFS-INIZCTEOSA-N 467.528 5.178 30 20 JKED CC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1OCC(=O)N1CCCC1 517473444 OEZAQEJQGPAROB-FPOVZHCZSA-N 480.634 5.212 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)cc2)c1 517527920 MCPLOGUEMVOIRP-SANMLTNESA-N 465.484 5.334 30 20 JKED CCCCc1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OCC)c2cccs2)cc1 517834394 GVTJJKWPTYWSGY-DEOSSOPVSA-N 461.587 5.205 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Br)c(C(F)(F)F)c3)CC2)c1 517898412 GWJHCEZSDQDGSV-UHFFFAOYSA-N 468.273 5.415 30 20 JKED C=CCN(C(=O)Nc1ccc(S[C@@H](C)CC)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 520194832 HFGDIKYJERWQLD-OALUTQOASA-N 450.612 5.642 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccc(C(F)(F)F)cc2)no1 520818997 KOISNUGCWOIUFH-AWEZNQCLSA-N 492.548 6.022 30 20 JKED CCCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@H]1CCc2ccccc21 520847105 WRBCVDDKWFIJRG-FQEVSTJZSA-N 475.536 5.576 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2c[nH]c3ccccc23)cc1 520937885 KSIVSPCEMBESBB-CVDCTZTESA-N 484.625 6.524 30 20 JKED COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2nccn2C)c1 520938329 UGJDKBLVCLOCMJ-RUZDIDTESA-N 483.528 5.012 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1OC 521822054 SGNNFZUCLBBQQY-HXUWFJFHSA-N 476.802 5.289 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1C 522553043 UNPQYCFUPUNNFF-NRFANRHFSA-N 476.024 5.299 30 20 JKED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1occc1COc1cccc(C#N)c1 522572718 JYKDREUFGPVENT-RTBURBONSA-N 471.557 5.409 30 20 JKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 522957904 JOTYRTXAMYZTFB-HXUWFJFHSA-N 481.383 6.108 30 20 JKED Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 560015527 IFXJIESCWCKBFS-UHFFFAOYSA-N 484.604 5.233 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)c2)cc1 589830020 CXZMDNACIJCKAS-DEOSSOPVSA-N 451.526 5.164 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC2 603658151 PRYVUNJWYPLPAS-AREMUKBSSA-N 455.558 5.685 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(Nc4ncccn4)c3)s2)c(C(F)(F)F)c1 603671890 GQCYIOXDRUYCQW-UHFFFAOYSA-N 480.475 5.410 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)c2)c1 603756706 DULSDQLKDDIVPZ-UHFFFAOYSA-N 482.561 5.363 30 20 JKED C=CCN(C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 608895727 LOQSDSOOYNJAFT-UHFFFAOYSA-N 480.546 5.738 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)s3)CC2)nc1 608950172 PHRPKUBKAGWMQS-UHFFFAOYSA-N 457.386 5.387 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1 609062018 RKGWOAMBUUPDRP-AREMUKBSSA-N 479.536 5.019 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609072813 IIKRNTBSAFOWLQ-QHCPKHFHSA-N 494.016 5.281 30 20 JKED N#C[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccc(OCc2ccccc2)cc1 609173928 BALUNBVZIACXQJ-XKHVUIRMSA-N 487.644 5.592 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 609402921 URACYVNKFNKVQA-MWTRTKDXSA-N 481.980 5.575 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)c1 609415307 PZXGWPSLAPCHOK-RUZDIDTESA-N 471.557 5.005 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 609435560 XEVNBEWORQJPOF-BCHFMIIMSA-N 457.599 6.317 30 20 JKED CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 609437908 WVYWAMCVYWJOCZ-FXAWDEMLSA-N 458.027 5.966 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc(-c2ccccc2)cs1 613392551 YNNKPSSHDPXDMX-LJQANCHMSA-N 479.355 6.235 30 20 JKED O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 614290898 RIODYJABJNVKRG-UHFFFAOYSA-N 476.392 5.032 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(=O)N1CC2(CCCC2)c2c(F)cccc21 624421981 CFPHQJPGYQYTOM-STQMWFEESA-N 480.424 5.010 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1 668820915 ZJGWKKOOWAWULX-IBGZPJMESA-N 475.639 5.202 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 726245202 HXXGAPNICOWVCU-OAQYLSRUSA-N 472.564 5.007 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726407637 UEKXHLXWKAZSGK-SFHVURJKSA-N 459.358 5.011 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 726415149 INBJIHAOIWDCII-YADARESESA-N 488.613 5.590 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1NC(C)=O 726428223 HTEZERBYSOLMBC-IZZDOVSWSA-N 465.933 5.791 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3cnn(-c4ccc(Cl)cc4)c3)SC2=S)cc1Cl 726627701 SYMJCIYWHYSXMO-WSVATBPTSA-N 457.367 5.457 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)cc1 726696245 NANIIJZJKOWLJN-SANMLTNESA-N 496.592 5.465 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)sc1-c1ccc(F)cc1 726733058 PFOUXAMXMKKNKB-NRFANRHFSA-N 470.525 6.616 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cs1 727266760 FCUSUQDJNMWTPB-RGEXLXHISA-N 471.607 6.472 30 20 JKED CC(C)[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccccc1Cl 728110195 XEXXMFGTDAPCPO-JOCHJYFZSA-N 452.894 5.204 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1 728778180 QYIZXURIKPMXBA-NRFANRHFSA-N 470.545 5.236 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C#N)c(Cl)c1 728779513 JHHUGCGOEAQNLH-FQEVSTJZSA-N 483.956 5.005 30 20 JKED C#Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(C)o2)CC3(C)C)cn1 729030814 HKUYIIXXNLMTCM-XFFZJAGNSA-N 497.576 5.471 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 729070291 SPQMMLWEKXPPID-QGZVFWFLSA-N 498.414 5.783 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(F)cc2)cc1 731067872 KJOQAIVNRGDGFA-QGZVFWFLSA-N 464.518 5.665 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCCOC2CCCC2)C1=O)Nc1ccc(F)cc1F 747042694 HKEGHNXSQVEDIL-JOCHJYFZSA-N 487.572 5.274 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OCc2ccccc2)nc1 750668131 NWTWYJFWLWIONP-QHCPKHFHSA-N 463.493 5.414 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)C(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 771742966 JUNYYQFRPULIFR-CQSZACIVSA-N 476.385 5.345 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 837285252 LZDKDZKKDZFJSS-IERDGZPVSA-N 498.530 5.822 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C3CC3)CC2)cc1C 837298925 AMXYBPAEVDLXBE-XMMPIXPASA-N 494.636 5.030 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 837637760 HRJVQPXVSMVAIE-WZONZLPQSA-N 476.577 5.559 30 20 JKED CC(C)n1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C2CCOCC2)n1 856616642 LDNCQASMJQJAIF-UHFFFAOYSA-N 458.562 5.255 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)nc(O)c2C#N)cc1 857992190 UJMMOIVGJHSSNQ-AWEZNQCLSA-N 468.966 5.119 30 20 JKED COc1cc(C#N)ccc1OC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 858420170 KLRUISHPZDDCPJ-UHFFFAOYSA-N 491.400 5.486 30 20 JKED C[C@H](Cc1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1)N(C)C(=O)OC(C)(C)C 904657626 SZBMYHQHBYXZLN-OAHLLOKOSA-N 452.486 5.338 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 913210992 XOXKPJCRHYQQNK-UHFFFAOYSA-N 481.537 5.045 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 914691554 QJXYWNSBVYODJS-LHSJRXKWSA-N 487.503 5.288 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N([C@H](C)c2cc(C)sc2C)C1=O 914694404 JEXZUZPZWUGJFK-PXAZEXFGSA-N 485.553 5.092 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(Cl)c2)c(C)s1 914694872 WVGCPRSJLLEAKA-ORAYPTAESA-N 462.040 5.380 30 20 JKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OCc1cccnc1 915047982 MHQKIGZEMAXGAH-UHFFFAOYSA-N 482.565 5.298 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915087296 RZBSTMKHGOLNDG-QHCPKHFHSA-N 458.924 5.940 30 20 JKED N#C[C@@H](C(=O)Cc1csc(N2CCCC2=O)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102884 JZOLMNOBHOUCSL-AWEZNQCLSA-N 477.398 5.119 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 915737017 HTFIEZSCTSMWBX-ZCYQVOJMSA-N 469.541 5.387 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(F)c(Cl)c1 916205219 MNYNNZCDYWFCRQ-IBGZPJMESA-N 461.946 5.052 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccc(F)cc2)C1=O 916206292 NCOSUQOBUQFBBY-HSZRJFAPSA-N 477.561 5.303 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(Cl)cc1 916212221 UHFADLCIUPXVMH-QGZVFWFLSA-N 467.900 5.505 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC2)C1=O)Nc1ccc(F)cc1F 916213473 DQVVKYYOYNLKAO-QGZVFWFLSA-N 470.328 5.394 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc(Cl)c1OC 916276896 NNIUDFJRDJFQQT-UHFFFAOYSA-N 457.770 5.484 30 20 JKED O=C(Nc1cccc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)c1)c1ccc(Cl)cc1 916306507 WWRWLOOVKAVOSL-UHFFFAOYSA-N 453.885 5.376 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)cc1 916886786 ITZQHJXSFREFFZ-GOSISDBHSA-N 487.553 5.793 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 916890306 MFAOPUMNSQIGIH-HXUWFJFHSA-N 461.499 5.024 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl 916902855 KXRNFVJMPXNEGN-LBPRGKRZSA-N 467.761 6.140 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 916925901 QLNOZBIJIIQLDU-PXDATVDWSA-N 479.001 5.909 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1OC 916945728 YWEYGZULWKNRRP-HNNXBMFYSA-N 476.341 5.095 30 20 JKED CS(=O)(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1Cl 916977211 MYUFMWAXKQDSAE-AWEZNQCLSA-N 451.356 5.010 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=Nn2c(S)nnc2-c2ccccc2C)cs1 917539984 HDMMHYZELCWREY-UHFFFAOYSA-N 468.995 5.219 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2F)n1 917662952 HRDOPTRNEITPGE-NRFANRHFSA-N 482.968 5.343 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)cc1 917681872 RCDJULRWESVLPZ-NRFANRHFSA-N 482.606 5.114 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cccc(C)n3)C2=O)c1 917682859 ZZOICZBXLGFWCX-QHCPKHFHSA-N 493.032 5.821 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(C3CC3)C2=O)cc1 917698672 YPTAJWXMIXHRGL-QHCPKHFHSA-N 458.587 5.029 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)cc1OC 917762536 RJLQXRARWMWBOK-UKTHLTGXSA-N 456.970 5.484 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3ccc(C(C)C)cc3C2=O)cs1 920068492 PSHCFXAZTNLUEJ-LICLKQGHSA-N 452.963 6.263 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)NC(=O)c3cccc(Cl)c3Cl)n2)cc1 920139666 XBSVBTDOTDQRLS-LRDDRELGSA-N 474.369 5.120 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)C2)c1 920140222 AAYREKOXGRBEBT-RBBKRZOGSA-N 469.570 5.111 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)c(C)c1 920172790 KQTAPZQWXZJWOT-QFIPXVFZSA-N 491.569 5.064 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2nc(C)c(C)o2)c1 920262993 PTVVEAQNQLGJAK-UHFFFAOYSA-N 495.384 5.337 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cc(C)on2)cc1 920354561 DXIVKFNSAOHUBN-XMMPIXPASA-N 484.581 5.605 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(N=Cc3cc(Cl)cc(Cl)c3O)ccc2OC)cc1 920943409 XTEUISRYSOWVDA-UHFFFAOYSA-N 481.357 5.268 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(N2CCCC2=O)cc1 920978265 SZGIRSDDMNTFPT-HXUWFJFHSA-N 468.557 5.341 30 20 JKED N#Cc1ccc(CN(Cc2c(F)cccc2Br)c2ccc3nc(O)[nH]c3c2)cc1 1307544512 DAYUCVXNRTXELW-UHFFFAOYSA-N 451.299 5.249 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4cccc(F)c4)CCC3)cc2)C1 1785806869 ZMCQFNIOAXOJMG-UHFFFAOYSA-N 455.533 5.602 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)NC1(c2ccc(NC(=O)[C@@H](S)C(C)C)cc2)CCC1 1786394116 SPNMTDVXCQBCAU-QFIPXVFZSA-N 452.576 5.149 30 20 JKED CC1(C)CCc2cccc(C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)c2O1 1788496746 SZOPWYUYMQPHBM-UXHLAJHPSA-N 485.584 5.250 30 20 JKED CCn1nc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c2ccccc21 1788649368 FISIRWNCTAJNDU-CCEZHUSRSA-N 498.608 5.305 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)n(-c2ccccc2)n1 1788670336 WENHAVKIWRVIAE-UHFFFAOYSA-N 475.552 5.114 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(-c5nccs5)noc4c3)cc2)CCC1 1789225386 QPXDLWDWCIXLAL-UHFFFAOYSA-N 471.542 5.003 30 20 JKED CC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)o1 1789508137 PSVQPZGZCTYIAT-UHFFFAOYSA-N 479.653 5.037 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1789578246 IYBOFADNXLVFBF-FDAWAROLSA-N 491.547 6.046 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c(F)cncc4F)cc3)CCC2)cc1C#N 1789868990 LEYIMJIXFOGXQR-UHFFFAOYSA-N 490.510 5.080 30 20 JKED Cc1nc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1789920351 UBDHCVZJWGCHFO-UHFFFAOYSA-N 486.547 5.250 30 20 JKED CCOC(=O)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1F 1790052781 VMLPDADRFCKSCR-UHFFFAOYSA-N 499.542 5.130 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC3CCC3)CCC2)cc1 1790471568 GLRZCTJJVJBZIG-HSZRJFAPSA-N 481.637 5.008 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)c4ccccc4n3)CCC2)cc1 1790567455 JGQVVEMOBHWYNP-LJQANCHMSA-N 458.562 5.092 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)[C@H]5CCCCC5(F)F)CCC4)cc3)c2c1 1790834409 GKBQCVJZWVLZPZ-HXUWFJFHSA-N 477.515 5.008 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnn5cccc(F)c45)cc3)CCC2)c(Cl)c1 1790993211 WUPBCSGZSIXNOR-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)CCC2)cc1 1791250309 NWMCTCXOOTVYKJ-INIZCTEOSA-N 470.495 5.313 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@]4(F)Cl)cc3)CCC2)cc1C#N 1791674896 CHYLTJSANGRDKF-CPJSRVTESA-N 469.944 5.018 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)C[C@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206647 LOZLSUNWTXLADS-OFUUFJSKSA-N 469.626 5.026 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1F 1793925292 BQFSYGOCWMLFRI-QUZOXXGXSA-N 494.451 5.465 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c[nH]c3cccc(Cl)c23)c1 1798246077 GAVCQAAUYXUDPG-QLIIJSOBSA-N 460.965 5.014 30 20 JKED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC#C[Si](C)(C)C)c1ccc(Cl)cc1 1798418245 IBTPPCGJYBJFFF-IITNATTFSA-N 459.106 5.133 30 20 JKED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1798573931 FXFFAGMSXHSLTM-JWIQCUOBSA-N 492.582 5.169 30 20 JKED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2CSc2ccccc2)cc1 1800666104 VFSYIIDJQREHRZ-OOSCYNTBSA-N 495.648 5.345 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc(C(F)(F)F)ccc4[nH]2)C3)c1 1803681753 XPQBKHAAVVZEGL-ZHHJKBAOSA-N 494.517 5.379 30 20 JKED Cc1c(Br)ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1 1803684054 GGQTVTZYQYJOKD-PPRPKMEESA-N 498.396 5.089 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)CCc4cccc(C#N)c4)C3)CC2)CC1 1805331318 GPESWWKODQBLMT-DIVCQZSQSA-N 463.666 5.184 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C1)c1ccccc1 1805619318 USTYPYKSGDAMER-MUUNZHRXSA-N 471.645 5.162 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)C1 1806020462 VNRXMXKNHGPUGL-ZLHNRXBCSA-N 487.084 5.436 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@H]1c1cccnc1)c1ccccc1 1809030665 OSKRFOZZBZOVGO-IUAQSZDVSA-N 490.607 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1810488046 BCLUCOHSIIKLQK-FYYLOGMGSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1810502179 MMJFDLFHRZMXRC-VGSWGCGISA-N 475.967 5.325 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cc(OC)cc2C)[C@@H]1c1cccnc1 1811633197 OAVPDMDUDFLUFF-RDGATRHJSA-N 463.622 5.019 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)c3c(Cl)cccc3Cl)[C@@H]2c2cccnc2)c1 1811715939 MZDLFCSUCCOFSD-SBUREZEXSA-N 497.357 5.033 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccccc4)CCC3)[C@@H]2c2cccnc2)c(Cl)c1 1811748902 FLXSCFNOFQIJCT-BKMJKUGQSA-N 499.014 5.048 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c1 1811752655 RNQUEBSQXMSRAS-DVECYGJZSA-N 493.394 5.202 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)[C@@H]2c2cccnc2)c1 1811936924 FIASENWDGRLRFV-RXFWQSSRSA-N 497.986 5.030 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[C@@H]1c1cccnc1 1813058232 MNDJXIFDTSCJJK-CCLHPLFOSA-N 489.019 5.058 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@@H]1c1cccnc1 1813990326 HRLCJMVPMMLQAD-OFSOJUDTSA-N 497.614 5.325 30 20 JKED Cc1c(Cl)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814599727 MEWZUQDEGYVZBK-MWTRTKDXSA-N 475.980 5.618 30 20 JKED COc1ccc([C@@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1814733105 GZAHONOZXOEGJO-WAIKUNEKSA-N 491.979 5.053 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCCCC3(F)F)n[nH]2)c1 1815354270 UQLSNGAFSVEPJM-LKUPVBHCSA-N 469.536 5.168 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817742487 QUKGNDNALQOZRY-CVDCTZTESA-N 457.578 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)[nH]n1 1819309349 SKEMQHJIXVQRGY-GHTZIAJQSA-N 479.531 5.310 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1819393904 DWAAENHHSFGFET-CRXVIZHGSA-N 499.040 5.055 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCNc3ccc(C)cc3C)n[nH]2)c1 1819464276 HGYGODORHUZOAS-VWLOTQADSA-N 484.604 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)n[nH]1 1819920632 PNJYQDHAIAFFHN-MAUKXSAKSA-N 495.933 5.551 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820089293 KEDRKEJGPJUMNU-WIYYLYMNSA-N 471.561 5.465 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)n[nH]2)CCC1 1820173015 USYGWFLEAFYUDG-HNNXBMFYSA-N 497.880 5.221 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1F 1820218178 UMPHEGGLROHBIK-IBGZPJMESA-N 465.916 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2occc2NC(=O)OC(C)(C)C)n[nH]1 1820369921 RSPMDWPYVVFQPX-IBGZPJMESA-N 499.612 5.648 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 1821137057 MLNMYOLKBHIIQB-AREMUKBSSA-N 496.615 5.086 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2CSc2ccccc2)n[nH]1 1821263046 JFMXBZPEJONVQY-QHCPKHFHSA-N 473.602 5.312 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)n[nH]1 1821270567 UMUTVHSSZFMGEB-LJQANCHMSA-N 486.498 5.090 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1821750754 JMPOAZIIQSCKTC-QQNOGGPISA-N 497.599 5.455 30 20 JKED C[C@]1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CC=CCC1 1822981373 PYJNCOOVTHMINK-RDPSFJRHSA-N 485.510 5.352 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)[nH]n2)cc1C#N 1823293552 CKNSOXKXIFSMHM-FNZWTVRRSA-N 497.546 5.120 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1823668560 AJNSGOMLVMXXCT-IDISGSTGSA-N 496.611 5.516 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823685166 LWXJREAFNHCGQC-VWLOTQADSA-N 479.571 5.011 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 1824144074 YCUXEXBRZSLMSM-NRFANRHFSA-N 464.437 5.390 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1824879917 IMIIUOBEFWHDMC-SIBVEZHUSA-N 496.026 5.582 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)CC2)c1 1826763615 BDDMXYKSDZXLFX-GCJKJVERSA-N 475.555 5.280 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1828903706 KQAKKJVHTJTSNI-XMMPIXPASA-N 476.803 5.333 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(C)c(C)c2)CC1)c1ccccc1 1829029576 CNFJIUFDRKSNDF-VSGBNLITSA-N 471.645 5.129 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(F)(F)c2ccco2)CC1)c1ccccc1 1829035040 JPJOWEHZPBKLHX-BJKOFHAPSA-N 482.571 5.188 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1829035318 PCTIMKSOBLLFTL-URLMMPGGSA-N 499.655 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)c(OC)cc(OC)c2F)CC1 1829067198 FMEGULNNWCIFBM-IBGZPJMESA-N 492.607 5.208 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCOc3ccc(F)cc3)CC2)c1Cl 1829686152 WLAWBFCYTWXJOK-XMMPIXPASA-N 497.998 5.053 30 20 JKED COc1ccc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689841 SCJFMDUULCVREG-XMMPIXPASA-N 480.008 5.076 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1 1830061936 IIMWAPRCYCKYNQ-RPBOFIJWSA-N 497.680 5.088 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)ccc(Cl)c2O)CC1)C(F)(F)F 1830710558 KUDBGURFCKIICY-MRXNPFEDSA-N 479.326 5.051 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c(Cl)c1 1830720948 OUBBASGCJKQELY-HSZRJFAPSA-N 488.390 5.551 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 1831316218 QRXXSFRQSCAEJS-DEOSSOPVSA-N 470.057 5.465 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1832030374 NYCULTHYUMRNIW-QHCPKHFHSA-N 459.030 5.166 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1)c1ccccn1 1832330424 WVNUBOYNKRWDEF-KOSHJBKYSA-N 498.549 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c1 1832633224 GUXVLEPGKHNSCS-MRJKTFCFSA-N 471.645 5.741 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832690365 IGGLWXURHNMGOX-QFIPXVFZSA-N 471.935 5.037 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)cc1 1832991940 VPCXURQSSSOCCQ-MRAVXTPNSA-N 481.640 5.108 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H]4CCC[C@@H]5CCCC[C@H]54)CC3)CC2)c1 1838290791 PIMIRKBWZHODEH-MLKSZZLFSA-N 491.676 5.085 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1 1838373641 BSFRGGQXYHYTPH-NRFANRHFSA-N 478.555 5.086 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccoc2C)C1 1842435589 SWZVGDYLIXWIOT-QFIPXVFZSA-N 489.657 5.049 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(Cc3ccccc3)cc2)cc1C 10826108 VVZUBNKUPKMZHC-UHFFFAOYSA-O 486.060 6.886 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2CC)nc2scc(-c3cccs3)c2c1=O 11382806 IKRQOPHBVULZSH-UHFFFAOYSA-N 467.641 5.666 30 20 JKED C=CCn1c(Sc2ccc3nnc(C(F)(F)F)n3n2)nnc1-c1ccc(C(C)(C)C)cc1 14284471 PYRWQKJLCSATEO-UHFFFAOYSA-N 459.501 5.036 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1cccc(C)c1 16862968 PQVMWIURPOVUKI-INIZCTEOSA-N 471.424 5.630 30 20 JKED CCc1cccc(CC)c1-n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1cccnc1 20043796 ULQKVKBOBPFROH-UHFFFAOYSA-N 482.613 5.251 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730951 ZGKSKSDMAKPMSB-UHFFFAOYSA-O 457.644 6.294 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1-n1cccc1 32039353 WWDYRYIRPSVMHL-ZIAGYGMSSA-N 488.407 5.441 30 20 JKED COc1ccc(CSc2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)s2)cc1 69505449 RYBYKJLKNDBTMW-UHFFFAOYSA-N 477.036 5.485 30 20 JKED Cc1cccn2cc(-c3ccc(NC(=O)C4CCN(c5oc(-c6ccco6)nc5C#N)CC4)cc3)nc12 108244547 YWXFRPLRSXNVDM-UHFFFAOYSA-N 492.539 5.285 30 20 JKED N#CCCN(C(=O)CCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccccc1 110942864 VVGJLINWOMFGFK-DEOSSOPVSA-N 499.014 5.796 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)s2)cc1 195560760 CRVKHCSNKQCNBB-UHFFFAOYSA-N 465.003 5.487 30 20 JKED C[C@H](S[C@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 195696183 BYAHWLFILZGPEX-SFYZADRCSA-N 459.358 6.102 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1coc(-c2ccc(Br)cc2)n1 302971795 DHTVPIGEWMUSGI-UHFFFAOYSA-N 467.392 5.765 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccccc1OC 476840628 CDRHEVWHTYWKHL-HNNXBMFYSA-N 451.527 5.491 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 482812447 MSBPGVYCFDHYNI-QFIPXVFZSA-N 456.933 5.832 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(-c4cccc(Cl)c4)n3)s2)cc1 491456730 OVGUNJRWECPBGG-UHFFFAOYSA-N 470.004 5.731 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)s1 498001758 JKOJAODXJOWOJI-UHFFFAOYSA-N 495.004 5.800 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2nc(-c3sccc3Br)cs2)cc1 500706627 BFJXYDDDWCZYBL-UHFFFAOYSA-N 450.408 5.378 30 20 JKED C=CCN(C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1nc(C(=O)OCC)cs1 501941802 KEIOSHZZHKSUBH-UHFFFAOYSA-N 482.949 5.252 30 20 JKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502681079 PSSGCPSGYREGFU-UHFFFAOYSA-N 474.483 5.248 30 20 JKED Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)cc1 502987604 HSNHWBWOEQQEBI-UHFFFAOYSA-N 470.573 5.006 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 505147638 BXEFXZCOQZKTMP-LJQANCHMSA-N 462.640 6.080 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCc3csc(Cc4ccc(Cl)cc4)n3)nnc12 508865741 PPGWVTJSGFUCKH-UHFFFAOYSA-N 480.018 5.223 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 509563429 GMIJDPPVPFZGEP-UHFFFAOYSA-N 481.512 5.288 30 20 JKED Cc1ccc(OC2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC2)cc1C 511523900 WMRXRQPIVXODSO-UHFFFAOYSA-N 468.557 5.503 30 20 JKED COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513950128 MBHZCQSXILQMQW-UHFFFAOYSA-N 486.547 5.318 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)nnc1-c1ccc(Cl)cc1 514357268 CUTJIOQATAFTEE-HNNXBMFYSA-N 474.989 5.071 30 20 JKED O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)NCC#Cc1cccc(C(F)(F)F)c1 515179491 ULRIBAQSSWKVBS-UHFFFAOYSA-N 450.869 5.274 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl 515679554 DBVYGNUXTKDLTB-ZDUSSCGKSA-N 492.388 5.316 30 20 JKED COc1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 515965794 QBXFVECBMLLJSY-DEOSSOPVSA-N 473.960 5.134 30 20 JKED C=CCN(C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516072821 FBZKBTMRUGKQPH-UHFFFAOYSA-N 489.532 5.365 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SCc4nc(C)no4)cc3)n2)cc1 516270180 OSJJAKUJIDEYFZ-LJQANCHMSA-N 462.556 5.293 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 516332244 HDEYGGIPYFYHNA-MRXNPFEDSA-N 478.986 5.971 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 517448780 KKWKLVPTPIHRFI-HNNXBMFYSA-N 495.029 5.669 30 20 JKED COc1ccc([C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2c[nH]c3ccccc23)cc1 517885780 KCRHKMMBRSKDNF-MHZLTWQESA-N 494.595 5.433 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1 518232229 UHTAERBHCGHRHS-UHFFFAOYSA-N 484.625 5.776 30 20 JKED N#C[C@H](C(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 518721061 IRKYUKBQXTVDFJ-JOCHJYFZSA-N 493.009 5.927 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 518752254 LNDYSGATGUIFME-GOSISDBHSA-N 476.568 5.839 30 20 JKED Cc1c([C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)oc2ccccc12 518854130 YWFLVDTUBVHKOO-SFHVURJKSA-N 469.566 5.835 30 20 JKED C=CCN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc(-c2ccccc2)cs1 519362399 TYQAOMTWBDWGDL-UHFFFAOYSA-N 456.449 5.712 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 521326729 DJWQEBDNBWHSFE-RTBURBONSA-N 491.638 5.473 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccccc1Sc1ccccc1C#N 523842781 PKYWEXZTBLNJPJ-FQEVSTJZSA-N 484.625 5.457 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCO3)o2)cc1 524379928 DOXNQVQNSUEBNV-IBGZPJMESA-N 452.894 5.194 30 20 JKED Cc1nnc(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1Cc1ccccc1 524706990 VLSHBDIUVSKJNP-HSZRJFAPSA-N 488.016 5.675 30 20 JKED C=CCn1c(SC[C@H](O)COc2cccc(C(C)=O)c2)nc2scc(-c3ccccc3)c2c1=O 588379941 QLZDNNACCMFNIT-HXUWFJFHSA-N 492.622 5.046 30 20 JKED COc1ccc(-c2nnc(S[C@H]3CCN(c4ccc(C#N)cc4)C3=O)n2C2CCCCC2)cc1 589716591 JKGTUSYWMBPETD-QHCPKHFHSA-N 473.602 5.228 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)n2)cc1 591862275 MZRAWUUHUHZGCQ-QFIPXVFZSA-N 469.522 5.200 30 20 JKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H]3CN(Cc5ccccc5)C[C@H]43)cc2)cc1 594654766 CUBMJBJVVZKEQJ-XDUYTMKBSA-N 477.608 5.528 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 603533182 RSSJYRZSSIHBFZ-UHFFFAOYSA-N 496.508 5.869 30 20 JKED CN(CCOc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603690150 WZOKNJJSANTQMZ-UHFFFAOYSA-N 467.323 5.051 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2)cc1 603828321 HALVDEGFAADOPA-QFIPXVFZSA-N 466.541 5.884 30 20 JKED CCc1cc(C#N)c(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)s1 604029340 QMZLPTMQROBGQH-UHFFFAOYSA-N 470.337 5.542 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cc2ccccc2o1 604133982 MSLBQGQXEQXCHF-KKSFZXQISA-N 457.917 5.558 30 20 JKED O=C(CSCc1ccc(Br)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604520044 YOBMRJAHJXMTSZ-GHMZBOCLSA-N 482.259 5.411 30 20 JKED Cc1cccc(-c2nnc(SCc3c(C#N)c(C)nn3-c3ccccc3)n2Cc2ccco2)c1 604533351 CCVLPGFWVNRBFX-UHFFFAOYSA-N 466.570 5.553 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc(O)c4ccccc4n3)cc2Cl)c1 609062942 LNOAPPYKPCCGNP-UHFFFAOYSA-N 458.905 5.011 30 20 JKED CN(Cc1nccn1CC(F)(F)F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609206573 PKBMQJQWRYCYFM-SFHVURJKSA-N 461.875 5.418 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1SC[C@H](C)C#N 609378050 VKOQRDNDXUNRGD-QRWLVFNGSA-N 474.424 5.094 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 611828906 AIMRZUAMPNUDNU-GDNZZTSVSA-N 481.387 5.279 30 20 JKED CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)o1 612006090 TZMVQHMAIRHJLV-UHFFFAOYSA-N 474.567 5.314 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1ccc2ccccc2n1 613292798 XGHSHLUAXGBDTJ-QFIPXVFZSA-N 484.353 5.669 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nc(-c2ccccc2)cs1 613392100 IZVOULKUKZADES-IBGZPJMESA-N 479.355 6.235 30 20 JKED O=C(CC1CCC(C(F)(F)F)CC1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517507 KIMDGOKWGKXYHI-MKTAYPAQSA-N 491.394 6.383 30 20 JKED COc1cccc(C2(NC(=O)COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCOCC2)c1F 622562515 JDCIOBJONBXEMW-UHFFFAOYSA-N 495.391 5.073 30 20 JKED C=CCn1c(S[C@@H](C(=O)NC2CCCC2)C(C)C)nnc1-c1ccc(Br)cc1 639430425 IHTIKLSCGLMKDP-GOSISDBHSA-N 463.445 5.069 30 20 JKED N#CCCn1cc(C(=O)CSc2n[nH]c(-c3ccccc3Br)n2)c2ccccc21 656399454 SOAZHGUZMRVBRX-UHFFFAOYSA-N 466.364 5.078 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 726392826 KICASKNGSYZECP-PGRDOPGGSA-N 471.598 5.136 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc3cccnc23)c1 726411501 INNMBCSFOLEOLK-VWLOTQADSA-N 490.588 5.377 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414662 DDCVPNQGUHASGF-GBXCKJPGSA-N 497.661 5.476 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC(C)C)cc1 726416187 SEHHWVIFNXUACX-XXBNENTESA-N 483.634 5.025 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1ccccn1)c1cccs1 726421706 RZLDQKQFFDCYDZ-GUPKRBROSA-N 482.606 5.433 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc(Br)c1OC(F)F 726427273 IQMYHZXHJNFBCC-FNORWQNLSA-N 484.293 5.312 30 20 JKED COc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cc1NC(C)=O 726428696 OIIZJGIQQJWBFZ-FPLPWBNLSA-N 457.349 5.436 30 20 JKED Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(C(C)(C)C)cc1 726570496 BLIXKHAOHYYUGB-UHFFFAOYSA-O 479.025 6.134 30 20 JKED C=CCOc1c(Br)cc(/C=C2\SC(=S)N([C@H](C)c3cccs3)C2=O)cc1OC 726630207 UPPFICQANPCRIW-ZSAINHDTSA-N 496.473 6.046 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 726754571 MVPMQIMWQKSVAK-UHFFFAOYSA-N 457.965 5.129 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1Cl 726891104 NGRGYOABMPJWKR-KRWDZBQOSA-N 498.819 5.778 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1 727933883 AOUHJWZJBUOEPI-UHFFFAOYSA-N 468.435 5.182 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 728120202 WCLWOSRJFJNBOH-UHFFFAOYSA-N 464.569 6.339 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1cccc(Cl)c1Cl 728299233 OXIHUCOCUDVDPQ-AWEZNQCLSA-N 458.320 6.022 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728903027 HAASLSGXFBHJSY-UHFFFAOYSA-N 466.010 5.293 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(C)C)cc1 729145409 KVVKTSCOAJYBIW-OAQYLSRUSA-N 494.642 5.399 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)cc1Cl 729318832 DMKWAAYBZZFRRI-JOCHJYFZSA-N 473.891 6.232 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cc(F)ccc1F 729632980 UJUGHUYQGGWGHS-QFIPXVFZSA-N 494.498 5.136 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(C)cc2)c1 729669212 QKLHWCCAURSGRF-UHFFFAOYSA-O 464.350 5.020 30 20 JKED C=CCn1c(SCC(=O)OCc2csc(-c3ccoc3)n2)nnc1-c1ccc(Cl)cc1 731060695 NLUQTSZVKLTIRL-UHFFFAOYSA-N 472.979 5.337 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 731351977 ILSWYBPMEVOFBT-QGZVFWFLSA-N 462.550 5.523 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 731407477 WDLNXLJUEHUZRG-HNAYVOBHSA-N 461.509 5.402 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCc1ccc2ccccc2n1 743511837 JJCWTBZPKKYFDE-HSZRJFAPSA-N 493.032 5.040 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Br)cc3F)n2)cc1 745313897 ZMLROPZLHVHRRZ-QGZVFWFLSA-N 459.340 5.529 30 20 JKED CN(C)c1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)cc1 745397913 DECYBCIXCFYVIW-QHCPKHFHSA-N 494.567 5.191 30 20 JKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)Nc1cc(Cl)cc(Cl)c1 747111571 DKBOWVQOQCBNLD-HNNXBMFYSA-N 466.371 5.291 30 20 JKED C=CCN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1nc(C(=O)OCC)cs1 749127946 KRNNGLUUISTQQJ-UHFFFAOYSA-N 455.150 5.161 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)n(C2CCCC2)c1C 749307799 ZBOCOEBEOOEIGZ-UHFFFAOYSA-N 499.493 5.092 30 20 JKED CC(=O)N(c1nc(COC(=O)Cc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 750243492 XYRMCUTWHZWHFG-UHFFFAOYSA-N 453.951 5.256 30 20 JKED CCn1nc(C)c(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3OC)c(OC)c2)c1C 750911809 AUDNUJKVWMVNPX-XFFZJAGNSA-N 497.979 5.104 30 20 JKED C=CCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 755866164 SHJMXSXUSOABMN-UHFFFAOYSA-N 456.505 5.181 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(CC)cc3)N(CC(F)(F)F)C2=O)cc1 799220286 BWYKGCIWICTYQN-IBGZPJMESA-N 479.524 5.170 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)ccc1Cl 799426991 RFSNWAKLVYOOLR-UHFFFAOYSA-N 495.577 5.761 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 838094949 UURVHZRZZQHCIQ-DVECYGJZSA-N 488.613 5.510 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(C[C@H]2CCCO2)C1=O 838544547 AHDVTUVFEGCNOT-FOIQADDNSA-N 493.963 5.066 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839394775 ZYBLMTGMXBDGOQ-MHZLTWQESA-N 464.569 5.861 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccccn2)c(Cl)c1 914553636 GMERPBGATXKDLH-JOCHJYFZSA-N 493.032 5.190 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1 914760485 PQLWECOZPRLNJL-UHFFFAOYSA-N 456.493 5.106 30 20 JKED CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102930 LJAQEUZHTHEXQI-FTLNNBPESA-N 486.641 5.016 30 20 JKED Cc1nc(-c2ccc(CNC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)s2)cs1 915745354 HNUMGLHFCXGYCK-OAQYLSRUSA-N 472.595 5.090 30 20 JKED CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=S)Nc1ccccc1C#N 915996750 AQJGUEJPPVFHBP-UHFFFAOYSA-N 467.572 5.290 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)cc1 916214892 QEKMFWLVLVTXLU-KRWDZBQOSA-N 464.374 5.148 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(C2CCCC2)C1=O 916217277 JLSZEJZFBXNBTA-QFIPXVFZSA-N 451.592 5.215 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F 916621797 ITQXNCLUZVHADW-BFFYNSAMSA-N 462.468 5.359 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 916927635 MRRSODKJKKLDRQ-KNQAVFIVSA-N 480.351 5.202 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 916955829 VDPQZHZXFQMZDC-GTXQTCRKSA-N 455.967 5.004 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996170 LCKOOEYBLZAJIO-CRAIPNDOSA-N 470.381 5.342 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 917044349 SSXIFEIWLSBXAA-INIZCTEOSA-N 488.325 5.960 30 20 JKED N#C[C@@H](C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)c1nc2cc(Cl)ccc2s1 917047464 XZTNZIGXKNDNFL-DAQNXSASSA-N 488.985 5.539 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cc3ccccc3o2)C1=O)NC1CC1 917671272 RXGFEGLCGNHICW-HXUWFJFHSA-N 471.941 5.026 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(Cc2ccc(Br)cc2)cs1 917711890 IRPUWIWJZVKGJT-UHFFFAOYSA-N 467.348 5.313 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 918291107 SFDTVKVXPLBDAS-IZZNHLLZSA-N 455.533 5.467 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 920143120 TZPJEZVMAVMORJ-ZEQRLZLVSA-N 476.561 5.419 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C/c3ccc(F)cc3)c3cccs3)n2)cc1 920143464 PXOGUTWDWXTKNV-OABJIQBASA-N 460.555 6.436 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)n2)cc1 920143901 LHYHHCQBTASSSA-KRWDZBQOSA-N 486.018 5.262 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)nnc1-c1cccc(C)c1 920143982 VQBSYIKQBBSEPT-FQEVSTJZSA-N 489.626 5.374 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n1 920329066 YFSNTTIVNHJBBD-ZDUSSCGKSA-N 464.330 5.091 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1 920985391 UNBUTELBHHVYCV-SFHVURJKSA-N 476.371 5.003 30 20 JKED Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 921249174 CDBSVGBYSGSUOL-JPFXZVHCSA-N 493.588 5.828 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785809127 SVVHSXYIGCRLJY-JOCHJYFZSA-N 469.626 5.026 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc5ncccc45)cc3)CCC2)c1 1786346541 URPVKJZUWDWQJM-UHFFFAOYSA-N 490.563 5.105 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cncn3-c3ccc(Cl)cc3F)CCC2)cc1 1786370667 BITXPDKKCYSLBG-QGZVFWFLSA-N 496.970 5.004 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(Br)c4[nH]3)CCC2)cc1 1786371601 LXOBBVYHVUJLDI-MRXNPFEDSA-N 496.405 5.269 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1786373822 OKNAIMVZPCBABL-MRXNPFEDSA-N 478.486 5.112 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)s3)cc2)CCC1 1786976729 ABIWXGYWOYJGAJ-GOSISDBHSA-N 487.597 5.104 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)c[nH]5)CCC4)cc3)c[nH]2)cc1 1787030653 NYALHFLTGMZIHE-UHFFFAOYSA-N 463.541 5.251 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3csc(C)n3)cc2)CCC1 1787528661 KLAVGASQWUMJFO-HXUWFJFHSA-N 498.649 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(Cl)ccc4n3)CCC2)cc1 1789454164 ROPZIGUVYYRDPL-NRFANRHFSA-N 462.981 5.504 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc(Cl)cc1[N+](=O)[O-] 1789576767 CFLTZBAHCGQABT-MZJWZYIUSA-N 494.935 5.016 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)n3ccnc3C)CCC2)cc1)c1ccccc1 1789601515 VJBMUOFGPSQRBI-RLWLMLJZSA-N 468.601 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CSCc3[nH]cnc3C)CCC2)cc1 1789626179 DEKQJALPDUTJOA-UHFFFAOYSA-N 454.640 5.078 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5s4)CCC3)cc2)c1 1790073126 NRWABAPZDVBQET-UHFFFAOYSA-N 482.565 5.238 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5oc(-c6ccccc6)cc5[nH]4)CCC3)cc2)c1 1790148307 OCSBMIQHNWVLAD-UHFFFAOYSA-N 489.535 5.689 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1 1790187898 LOJMQKIBDOIROW-KRWDZBQOSA-N 498.580 5.175 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)c(F)c3)CCC2)cc1 1790563380 IMBCHQNADPEZAQ-LJQANCHMSA-N 453.558 5.002 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccc(F)cn45)cc3)CCC2)c(Cl)c1 1790960170 KGQFAKYVXNZGKP-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4CC[C@@H]3N(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791249366 RAFOXKALAVVZOI-KZTDQWPFSA-N 495.664 5.368 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)c1 1792940289 BRQDYYDYSLWIKZ-NUNAXRQHSA-N 477.564 5.342 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F)C2 1793052661 IACRTTJADUZEOI-WKCHPHFGSA-N 485.600 5.193 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)c1ccccc1 1793208435 LKZLTZUPXSEORT-UEQSERJNSA-N 483.534 5.269 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3sc(C)nc3c1)C2)c1ccccc1 1798554624 RDLGKIVMKVQDES-UEQSERJNSA-N 471.626 5.054 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccnc2ccccc12 1800503757 BXQLQFXMMJMSCS-LGKQTMLJSA-N 485.587 5.200 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(F)F)cc2F)[C@H]1c1cccnc1 1802495867 NQAQJUDSJOMUIF-AVRDEDQJSA-N 489.538 5.134 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1803087328 ROUUCZOOVVMCEO-FYYLOGMGSA-N 471.523 5.188 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 1804019917 JSKZBFWURBMFAZ-DTUBNOLGSA-N 489.701 5.091 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(Br)cc3F)CC2)C1 1805458604 QJNLGXUXMUCDIA-UHFFFAOYSA-N 491.445 5.130 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)C3CCC(C(F)(F)F)CC3)C2)CC1 1806472536 XVWBSPRNDZRVSX-XVAXZDLZSA-N 454.577 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1807730128 UJCBREASAXIGHR-WZONZLPQSA-N 497.064 5.657 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(OC)cc3)C2)CC1)c1ccccc1 1809090446 XQVOXOKKDIWNJX-NDEPHWFRSA-N 486.656 5.056 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1809205036 AVMBICJULUBWHR-RLWLMLJZSA-N 489.019 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1809212728 YGOCMTMDYBVVNI-CJFMBICVSA-N 491.035 5.595 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(OC)ccc3o2)[C@H]1c1cccnc1 1809718941 IJRAZQIDINDHSG-CJFMBICVSA-N 475.589 5.148 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812584154 HAHRTRKMSLDYEB-WDSRZNHGSA-N 471.523 5.032 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1813228778 XYYHRBBAMXUPOD-WNCULLNHSA-N 492.063 5.446 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1813963342 PZKMGPMJPZDDQF-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1814067049 HNQHRBGFWZSPKW-NMIHRBCNSA-N 479.587 5.449 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1814106999 BMRURLFQSGGOMB-CUNXSJBXSA-N 473.661 5.410 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c1 1815789312 AIGTUNISQLYPMG-HAAQQRBASA-N 478.556 5.090 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)c1Cl 1816693307 ICNKBHNMOGDARR-HXUWFJFHSA-N 453.974 5.211 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ncccc3-c3ccccc3)n[nH]2)cc1 1818311320 YBPJLYGSQUHWOI-VWLOTQADSA-N 490.567 5.157 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)ccc2c1 1818530750 NIFVIYGMDHYVHV-NIYFSFCBSA-N 492.583 5.513 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)CCCC3=O)n[nH]1 1818691631 KZGZREZQVJRAKV-OFNKIYASSA-N 460.578 5.003 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1819258562 GZFQGOXNQPIUBJ-LLGFUMIMSA-N 493.658 5.585 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)[nH]n1 1819309350 SKEMQHJIXVQRGY-NQIIRXRSSA-N 479.531 5.310 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)[nH]n1 1819554087 DZNQLZFNBBUPCY-YKSBVNFPSA-N 477.653 5.459 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437248 BNUDZYGUCAEZDA-VWNXMTODSA-N 488.588 5.081 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821048822 SDMKNSNZLRKFJL-CYFREDJKSA-N 489.576 5.309 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821071381 BOIMNNWVCRCNDS-AEFFLSMTSA-N 499.862 5.086 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1 1821790111 JJRMZRZNKGULHF-NRFANRHFSA-N 493.435 5.324 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3occc3Br)[nH]n2)c1 1823213456 XSRGVCILTMJGTH-KUHUBIRLSA-N 496.365 5.012 30 20 JKED CC1=CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)sc3C2)CC1 1823746333 INVOTSWJIWCUQE-MAUKXSAKSA-N 488.535 5.006 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c1 1823935517 JHAOWZJQLCKGRP-RUZDIDTESA-N 481.999 5.217 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1824140946 BMRSVGOIKUTFHN-SANMLTNESA-N 491.632 5.352 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccco2)CC1)c1ccccc1 1825265612 YGASDLSMUMYSGL-CWMYVEAQSA-N 458.602 5.110 30 20 JKED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)CC2 1826056312 OJHGRUAHFGQMKB-OAHLLOKOSA-N 462.600 5.155 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1826193481 BDERBEUKQIOTLK-QFIPXVFZSA-N 485.415 5.116 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828095049 XFZZXSCPBPXOHQ-DEOSSOPVSA-N 465.663 5.606 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1828464115 YSIYGRAHFYAAQG-CYRJMILMSA-N 491.676 5.163 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cc(C)ccc2C)CC1 1828821920 UTIKZKUQZSRDLD-RPBOFIJWSA-N 452.639 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1828824407 JTXJNVKIMDUQKR-IGKIAQTJSA-N 461.650 5.489 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1828904849 BKXINBAMJTWGOQ-QHCPKHFHSA-N 483.754 5.285 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccn3)nc3ncccc23)CC1 1829599869 XOHQNWGOAGNSFJ-IDISGSTGSA-N 497.643 5.137 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1Cl 1829689971 WYDBUDDNKUGRPD-VWLOTQADSA-N 476.020 5.636 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765454 BSFCUUILJSLPRA-HFZDXXHNSA-N 495.067 5.732 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1830115860 WFCRWCXJEIROAG-KBMIEXCESA-N 494.035 5.523 30 20 JKED CCCCCc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)ON=C(C)C)CC2)c1 1830417467 ZLBNAYAJNWYTEK-KCWPFWIISA-N 483.697 5.382 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830628175 FOLNBTMNCZQBPV-SANMLTNESA-N 475.658 5.087 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)CC1 1830717185 GWXYCNCITMIVQJ-JTJYXVOQSA-N 453.602 5.147 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830722173 BRFZYHFPPQYMBQ-QFIPXVFZSA-N 497.064 5.266 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c(Cl)c1 1830725094 YSPMZPTYLLBOAI-AREMUKBSSA-N 476.020 5.636 30 20 JKED CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cn1 1830755093 OQJNLMZDJIBROA-DEOSSOPVSA-N 498.549 5.082 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)c1 1830768149 LHCNKEMDLLLUPP-MUUNZHRXSA-N 492.623 5.476 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)c1 1831221725 ALXOQEUWSIPSAR-ILBGXUMGSA-N 476.020 5.175 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1)c1ccc(O)cc1 1831924525 QAVBGUXHGGXLSR-CUNXSJBXSA-N 494.582 5.101 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1 1832633070 BSFHWEYMPCSQFR-IQGLISFBSA-N 481.999 5.653 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CC1 1833290918 SIAINLYBUGHSHA-UHFFFAOYSA-N 498.111 5.102 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(C)cc(C)c3)CC2)CC1)c1ccccc1 1838416880 UXTOUBDLEKEOKF-GDLZYMKVSA-N 486.656 5.113 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)CC1 1838423830 HBNZYUAYDVKFRV-UHFFFAOYSA-N 454.655 5.415 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)s1 1838806742 OTLKBQSHEZSGAG-IBDYFIJFSA-N 491.657 5.009 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1841609968 GOWUODFLGHLCHW-SFHVURJKSA-N 478.555 5.161 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3sc4ccccc4c3Cl)C2)c1 1843710843 FXJLNVAYQKWKKH-MRXNPFEDSA-N 463.990 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Br)c(OC)cc3o2)C1 1845614468 BXKQLAHEVALMPX-UHFFFAOYSA-N 489.410 5.013 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2scc(-c3ccccc3)c2c1=O 9041495 JTGGXGORGRMHPI-UHFFFAOYSA-N 493.610 5.059 30 20 JKED CCOc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2cccc(C)c2)cc1 9163020 KLOBUGDKIVOESN-UHFFFAOYSA-N 475.599 5.305 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1Cl 9826178 ZLMPAOWCFMFJOS-UHFFFAOYSA-N 461.418 5.497 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3nc(-c4ccc(SC)cc4)cs3)ccc2c1=O 10556898 FKJIOKRRZORXMB-UHFFFAOYSA-N 466.613 5.343 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)nc2scc(-c3cccs3)c2c1=O 16986876 YGSUIDAVYKVCJL-LBPRGKRZSA-N 489.594 5.770 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 17183221 LAWUCRNFAYZJPF-UHFFFAOYSA-N 452.557 5.074 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccncc1 21680996 VRMMCMIBYPGMBK-FQEVSTJZSA-N 468.586 5.065 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)nnc1-c1ccc(F)cc1 22162730 UZOUPJIUXMXMGF-ZDUSSCGKSA-N 495.630 6.150 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1cccc(Cl)c1 22354152 YBGWMFVOEHINMU-UHFFFAOYSA-N 489.004 5.081 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1nc2c(s1)CCCC2 23995980 CCZZNHICOADTAO-UHFFFAOYSA-N 491.642 5.233 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 28695898 ZZJCXKBUYFFFOE-UHFFFAOYSA-O 490.693 6.693 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccnc1Oc1cccc(F)c1 32253010 YZABMAWRAMGWSY-UHFFFAOYSA-N 455.514 5.966 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1Cl 32290377 SRUSSDFNOHQEDS-UHFFFAOYSA-N 489.988 5.411 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)nnc1-c1ccccc1F 195569528 CAULTJAVZMYISK-UHFFFAOYSA-N 479.606 5.509 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccnc1OC1CCCC1 303124604 AUBMUYFXUQEKKP-UHFFFAOYSA-N 456.546 5.484 30 20 JKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c3c2CCC3)c(F)c1 409824739 AHTVTHQPINZMBF-UHFFFAOYSA-N 480.543 5.706 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C(C)C)s1 498394189 AZPJIXDKIFIZTA-UHFFFAOYSA-N 480.655 5.852 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)CC1 502366485 AOOSKABIHHGFAS-QGZVFWFLSA-N 482.943 5.049 30 20 JKED CCc1ccc([C@@H](NC(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c2cccs2)cc1 502820052 RIRSUJYHYUYHOE-XMMPIXPASA-N 461.974 5.056 30 20 JKED C=CCn1c(SCCn2c(C)csc2=O)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 503955230 DDTGELVIDRXPIA-UHFFFAOYSA-N 473.620 5.082 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 506268445 JTPJLOXENHYISD-SFHVURJKSA-N 459.981 6.219 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(Cc4ccc(F)cc4)CC3)s2)cc1 508357818 KIYJEWVOLHESBG-UHFFFAOYSA-N 467.595 5.328 30 20 JKED COCCCn1c(SC[C@@H](C#N)CCC#N)nc2scc(-c3ccccc3Cl)c2c1=O 508451996 AZKDNCIPHZDRQW-OAHLLOKOSA-N 473.023 5.351 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)Cc2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 509308915 AGSDMRDCFNBQON-CQSZACIVSA-N 479.408 5.417 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)cc1C 509583089 KAUKPKSAUVQKDZ-UHFFFAOYSA-N 463.559 5.015 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 509998021 PFXAQOXQHLGCQW-JOCHJYFZSA-N 488.956 5.305 30 20 JKED COc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Br 512556844 HMPHJMNXRFCZSF-MRXNPFEDSA-N 481.415 6.113 30 20 JKED COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513877894 GUHRAJJWXNLWCJ-UHFFFAOYSA-N 486.547 5.176 30 20 JKED Cn1ccnc1[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(Cl)cc1 514010912 HMYMVGQKERYNMX-VWLOTQADSA-N 487.966 5.586 30 20 JKED COc1ccc(C)cc1NC(=O)[C@H](Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 515759579 PXPOIKNEDAFEMI-SSEXGKCCSA-N 491.591 6.441 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2cccs2)cc1 516746710 YHUKPKASVYKCEC-UHFFFAOYSA-N 457.511 5.173 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCc1ccc(Cl)cc1 517800786 ILQQKSXWLWFEJE-QFIPXVFZSA-N 499.979 6.413 30 20 JKED CC(C)(C)OC(=O)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 519186502 DJYPSBIBOIATHB-NRFANRHFSA-N 453.970 5.581 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc1 521072357 YHTZFABEEOVYEV-UHFFFAOYSA-N 475.420 5.039 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 521209959 VRPGVYHSNYZEGQ-UHFFFAOYSA-N 460.500 5.104 30 20 JKED N#C[C@H](C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc(-c2c(F)cccc2F)cs1 521262380 KPWRUMLFBTZCCI-OAHLLOKOSA-N 454.889 5.477 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 521809731 HJNQTILYWTVAAD-LJQANCHMSA-N 465.517 5.107 30 20 JKED C[C@H](Sc1ncccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)N1CCCC1 522474158 HLZHZJOPURKZBA-HOCLYGCPSA-N 498.580 5.076 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 523329283 FLCCRSJNIJHPTE-UHFFFAOYSA-N 482.609 5.249 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 523372925 TUFGSUMJDCKGOG-LJQANCHMSA-N 484.581 6.380 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl 524113840 GZYMFPUHGCTLHL-UHFFFAOYSA-N 453.372 5.615 30 20 JKED CCCCN(Cc1ccccc1F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 549801948 ODTXRNALHFKMDM-UHFFFAOYSA-N 455.584 5.675 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(CC(F)(F)F)CC3)cc2Cl)c1 568423326 ONUGNJNFARWGSP-UHFFFAOYSA-N 451.876 5.003 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)c1 589384968 SQSZERCVXDGGQK-UHFFFAOYSA-N 450.535 5.764 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1 590378740 ULVYDUQIORFSNI-INIZCTEOSA-N 450.354 5.315 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)n1 591615869 OOJIXMNVQPDLCB-CYBMUJFWSA-N 462.556 5.361 30 20 JKED Cc1nc(-c2ccc(CNC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)s2)cs1 603649935 JNGURZFDZRLZGH-UHFFFAOYSA-N 451.602 5.421 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)c1ccccc1 603989992 RTWCCGGJMCSVDB-UHFFFAOYSA-N 459.549 6.073 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)cn2)c1 604428374 MNHQRZLOFCTDKQ-HSZRJFAPSA-N 488.956 5.305 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 604466480 MHYLCIPVZWKIFZ-NRFANRHFSA-N 462.018 5.760 30 20 JKED COc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1OC(F)F 609062988 OAZSBKYIWDHPPH-UHFFFAOYSA-N 458.848 5.653 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 609078412 PBYPBGJONXPJFX-UHFFFAOYSA-N 452.558 6.007 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 609079268 SVIHLWDCRYLADS-JOCHJYFZSA-N 492.579 6.302 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccco3)cc2Cl)c1 609086498 ICNXEHFSNXDRDT-UHFFFAOYSA-N 489.915 5.144 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 609398386 XMVWEJJILFRWAF-UUOWRZLLSA-N 455.587 5.736 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 609403603 JYNOUUISOPBEGF-UHFFFAOYSA-N 498.939 5.229 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)nnc1[C@@H]1COc2ccccc2O1 613907889 MNQQXOUHFBECTO-QFIPXVFZSA-N 496.608 5.035 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3ccccc3[nH]2)nnc1-c1ccc(Cl)cc1Cl 630778699 RAGYAHOWLUXTRQ-UHFFFAOYSA-N 459.362 5.045 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccccn3)cs2)nnc1-c1ccc(Cl)cc1 642004553 VFBUGVIUJRQKJS-UHFFFAOYSA-N 468.995 5.034 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc([C@H]3C[C@H]3C)o2)cn1 726114070 USVARTOWOUHAQD-FRGLQRNOSA-N 491.617 5.088 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2nc(C)c3ccccc3n2)c1 726400295 QFFLJPQITQOIIA-XMMPIXPASA-N 495.608 5.407 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CC[C@H](C)OC)C1=O 726401618 UGSPMKQOWIKYJG-HRAATJIYSA-N 490.025 5.042 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726407430 RNEAYTKEKZSLLZ-KRWDZBQOSA-N 480.899 5.211 30 20 JKED COc1cc(/C=C2/SC(=S)N(CCc3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N 726626259 CIAWISJAVMZTLD-YBFXNURJSA-N 479.410 5.348 30 20 JKED CSc1ccc(C(=O)COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1NC(C)=O 728669031 GBZQZZAGORZCKK-UHFFFAOYSA-N 460.511 5.071 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 728778721 UVOGBHYVOLIRMB-QHCPKHFHSA-N 456.571 5.494 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 729146582 UANWBBDQTUVDBP-LJQANCHMSA-N 496.017 5.137 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ncccc3C)C2=O)c1 729631498 ONCVXZSPTNJUTR-HSZRJFAPSA-N 476.577 5.306 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c1 729634514 NHPKVIFNLXFXDT-QHCPKHFHSA-N 494.567 5.446 30 20 JKED COc1ccc(/C=C2/CN(C)C/C(=C/c3ccc(OC)c(OC)c3Cl)C2=O)c(Cl)c1OC 730434434 MMSWIHVXABXVBG-APGQMXJTSA-N 478.372 5.009 30 20 JKED CCOc1cc(C=NNc2cnnc(O)c2Cl)cc(Br)c1OCc1ccccc1 730568238 RNHLRKYYSBAMIE-UHFFFAOYSA-N 477.746 5.022 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)cc1 730685684 BCSSSZFVUMFPPZ-JLEAQPBLSA-N 460.574 5.202 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1Cc1cocn1 730709095 NXSZFLWRIFCWMI-IBGZPJMESA-N 488.491 5.162 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2F)s1 731309938 XYWCTPVAQRXHCK-FQEVSTJZSA-N 487.553 5.201 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 743526242 PHGRFUVITWBTMC-OAQYLSRUSA-N 497.983 5.046 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)ccc1Cl 744280136 XNSGXAYBBLJRQG-UHFFFAOYSA-N 492.988 5.364 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc(Cl)c1OC 744765538 DYNKKEZQXIFEIQ-UHFFFAOYSA-N 460.987 5.130 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 746695441 GJBCCDQIIZTQFN-GOSISDBHSA-N 494.444 5.769 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc3ccccc23)cs1 747060139 JOXFDDYECOMANV-UHFFFAOYSA-N 454.477 6.446 30 20 JKED O=C(Nc1ccc(C/N=C\c2cc(Br)cc(Br)c2O)cc1)c1cccnc1 748586108 PQSOAOBCZGJTND-MSXFZWOLSA-N 489.167 5.184 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12)c1nc(C(=O)OCC)cs1 749127430 FTBAHJZLNZIRGZ-UHFFFAOYSA-N 471.582 5.985 30 20 JKED N#C[C@@]1(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)CCSC1 749613479 WFLLJXLBZYQJBZ-NRFANRHFSA-N 470.670 5.085 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 750391009 DLXJJXSJVIXZRE-SFHVURJKSA-N 495.536 5.272 30 20 JKED Cc1csc(SCc2c(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)oc3ccccc23)n1 751149638 LTIBNKNXOQOHLK-UHFFFAOYSA-N 492.601 5.463 30 20 JKED N#C[C@@H](C(=O)CSc1ncnc2sc3c(c12)CCCC3)c1nc(-c2ccccc2)cs1 808664872 COKFBWKOMVIEFP-INIZCTEOSA-N 462.625 5.662 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1F 838485067 BIPYHSGMQUQICO-JOCHJYFZSA-N 481.524 5.134 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)s2)cc1 875068799 GMDYEABLBTWDKZ-XMMPIXPASA-N 465.534 5.312 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2NC(=O)c2cccs2)n(C2CCCC2)c1C 875260091 CAAUHHWOFMSBEO-UHFFFAOYSA-N 490.585 5.201 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccc(C)cc2)C=C1 912797678 COSOXOQCRGPXEX-UHFFFAOYSA-O 488.416 6.174 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 915085892 PRQLRRFYZQOYBS-DEOSSOPVSA-N 451.482 5.205 30 20 JKED N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccccc2s1 915098518 VAFGCNYWPHRFRQ-UNMCSNQZSA-N 455.539 5.010 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc2cc(C(F)(F)F)ccc2s1 915103732 DFKXUIQRUDIANG-CQSZACIVSA-N 476.867 5.828 30 20 JKED N#C[C@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 915104468 BJHWVKVEJGTMKB-CQSZACIVSA-N 464.490 5.565 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)o1 915111020 HFXUPIRKPAMCJG-NRFANRHFSA-N 469.513 5.069 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccccn2)c1 916207443 YCUJMLWUYSPEOS-QFIPXVFZSA-N 495.004 5.213 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(Cc3ccco3)C2=O)cc1 916211287 LYTZKZAYMQECCU-FQEVSTJZSA-N 485.512 5.350 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCOC)cc1 916213169 ATXBLKXCBQCPCO-GOSISDBHSA-N 480.417 5.163 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1F 916214994 SKBXCOIJVXRRRV-IBGZPJMESA-N 475.904 5.372 30 20 JKED COc1cc(C=NNc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1Cl 916248671 LXAWIEWDWUWPPE-UHFFFAOYSA-N 466.950 5.422 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916628455 SRMOCYNHPTYOHW-SFHVURJKSA-N 483.387 5.729 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887456 MWWHPUQUAAVYKE-FQEVSTJZSA-N 488.947 5.347 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(OCc2cccs2)c1 916887963 QSWHIZWFQSXHHA-IBGZPJMESA-N 458.511 5.603 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)c1 916890594 NSEVATWORQJNQR-QHCPKHFHSA-N 473.479 5.402 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 916902400 FRTFALUAEFCVLD-QFIPXVFZSA-N 465.557 5.030 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928972 ZJMKVWQOWJWNEZ-CQSZACIVSA-N 493.803 5.581 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 916932624 ZYOZBYAKUHHVAT-WMZHIEFXSA-N 477.351 5.648 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916940694 WDKANRXQTGYVES-IBGZPJMESA-N 478.936 5.380 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 916952388 KGWJHCREAAGOFY-HSZRJFAPSA-N 455.489 5.263 30 20 JKED CC(C)[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 916996035 JHISYWJGCLDECU-XLIONFOSSA-N 498.391 5.614 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)c2)c1 917138471 FTKWIOYOKNBQGM-MUUNZHRXSA-N 474.516 5.844 30 20 JKED COCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1OC 917559699 BTEKTGBEHXPVQE-YFHOEESVSA-N 486.977 5.411 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)s3)C2=O)c1 917675716 XZXCIEBVLLHVAN-NRFANRHFSA-N 465.600 5.226 30 20 JKED CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)CCc3c(C)nn(CCC#N)c3C)ccc21 919251217 VGFLQPJAEMDBHC-HXUWFJFHSA-N 485.588 5.044 30 20 JKED COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(NC(=O)NC(C)C)cc3)cs2)cc1 920065721 HQUUPDITRXAQLK-MDWZMJQESA-N 451.548 5.157 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920108794 JNPMOVKOMBNXGR-MRXNPFEDSA-N 487.712 5.995 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)F)cc2)s1 920171358 UUNDTKQIMKJLLI-SCLBCKFNSA-N 479.574 5.019 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 920341638 CFHQDIVZIXDRTR-VQTJNVASSA-N 470.356 5.210 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c(C)c1 920353546 MJNZMDAZZDNZCN-QFIPXVFZSA-N 462.575 5.069 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2cccc(O)c2)C=C1 920395318 YPHUEWSZANGDHM-UHFFFAOYSA-O 488.633 5.288 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804094 LFSAKPTXZKTPTM-MRXNPFEDSA-N 465.550 6.248 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 920805999 HQAIZVFGCRGFHU-OWCLPIDISA-N 477.561 6.624 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1C 920892892 SBQZDLWBRQRUIO-WOJBJXKFSA-N 484.556 5.250 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3ccc(C(C)(C)C)s3)C2)c1 1778331339 PSPXAEHYYIHCEX-RRBBIIPZSA-N 493.673 5.114 30 20 JKED Cc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)n1 1785827349 OOPPIQVNIYQPDD-FYWRMAATSA-N 494.595 5.510 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4sccn34)CCC2)cc1 1785843394 XQGWNNZYQAKVMZ-UHFFFAOYSA-N 450.608 5.444 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1786242265 UEDPNIDMPTXPAD-YUXAGFNASA-N 469.626 5.026 30 20 JKED CCc1oncc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1787555251 UWXRQWUFWPLPIW-UHFFFAOYSA-N 451.643 5.036 30 20 JKED Cc1ccc(S/C=C/C(=O)NC2(c3ccc(NC(=O)/C=N/N4CCCCC4)cc3)CCC2)cc1 1789514051 BVNAAQMDRNZEHB-WLIVSFIBSA-N 476.646 5.207 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCNc3ccc(C)cc3C)cc2)CCC1 1789566549 IKBMWRXLJIKAST-UHFFFAOYSA-N 463.622 5.222 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)cn4)cc3)CCC2)c(Cl)c1 1789733451 FJRGWFYVOQHZHV-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ncc(C(F)(F)F)cc4Cl)cc3)CCC2)c1 1789870033 GFTDSSRNKOWYSL-UHFFFAOYSA-N 487.869 5.015 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)cc2)CCC1 1790052397 GFNVDQPNIDWHFO-UHFFFAOYSA-N 453.823 5.159 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3occc3NC(=O)OC(C)(C)C)CCC2)cc1 1790565801 DIUDDELYFIWEMC-QGZVFWFLSA-N 498.580 5.175 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)CCC1 1790625851 NWNIGTCEMFRZEB-WKULSOCRSA-N 485.462 5.045 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790954181 NXUJFCVHCLVKHB-OAQYLSRUSA-N 465.981 5.142 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccn4c(C)cc(C)nc34)cc2)CCC1 1791003134 DCVMPSZPHCTQQZ-UHFFFAOYSA-N 458.606 5.691 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3c(Cl)ccc(OC)c3F)CCC2)cc1)C(F)(F)F 1791305267 IWGDYQQGBNVPNR-UHFFFAOYSA-N 484.877 5.283 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791583671 XVKKOLGXSJPROY-QHCPKHFHSA-N 481.637 5.104 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)CCC2)cc1 1791730371 FLXVVBVFKYCXGI-UHFFFAOYSA-N 482.506 5.294 30 20 JKED C[C@@H](Nc1nccs1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124001 XLFFAAGRTISFHT-ZWKOTPCHSA-N 473.602 5.018 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(ccc4ncccc43)s1)C2 1792572801 JGCKGRJANWOYAZ-REPLKXPHSA-N 461.631 5.694 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1792738438 VIHWADSYQBODHP-ACDBMABISA-N 475.898 5.105 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3cccc(Cl)c3c1)C2)c1ccccc1 1798557131 YHGRIBFZPBWQLG-KIHHCIJBSA-N 486.015 5.337 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 1799295584 IVJSJYMDVSQEHO-FFGOWVMKSA-N 466.025 5.231 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(C(F)(F)F)c1 1800425467 YFSOIYIECRPWJR-BCDXTJNWSA-N 499.371 5.488 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cc2[nH]ccc2s1 1800504677 FTEHBFXHCPKFNJ-BKFWDETESA-N 479.605 5.195 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]4CCCC[C@@H]42)C3)c(Cl)c1 1800689156 RCYQYHFOQWXOMK-KINXCBNHSA-N 454.014 5.070 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2cc4ccccc4o2)C3)cc(C(F)(F)F)c1 1800740467 AAGQALMTHFGTBF-DLPOCFIOSA-N 493.485 5.288 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc4c(Cl)cccc4s3)[C@H]2c2cccnc2)C1 1802413878 KWJVKAKHLPARQT-HXOBKFHXSA-N 466.006 5.236 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)[C@H]2c2cccnc2)C1 1802416040 MHCWCYSBBYIROC-NAKRPHOHSA-N 483.587 5.097 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1802441239 MPLIBVVREYMISJ-SRQOHOGMSA-N 484.625 5.193 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1802494669 FUZZNVOWWVSCAF-UPVQGACJSA-N 488.657 5.517 30 20 JKED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2cccc4ccccc24)C3)CCC1 1804115063 BRWIYCQWODISBI-NUNAXRQHSA-N 479.580 5.578 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc5ccccc5c(Cl)c4OC)CC3)C2)C1 1804782484 RPMDVGKJLICFIE-UHFFFAOYSA-N 467.009 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)C2)CC1 1806994199 ABCXJCZDBWGJGB-UHFFFAOYSA-N 496.627 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(F)c(F)c3)CC2)[C@H]1c1cccnc1 1807337568 KOSFLIAGAOJHGB-HYBUGGRVSA-N 481.587 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1810172667 CMPCIJLSSQOYIE-INOCPDNRSA-N 480.612 5.232 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1810270834 AAKOZOMDJPWQOQ-WSHBGFIESA-N 489.736 5.251 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2OC)[C@H]1c1cccnc1 1810502010 GAPJKVYJCFUXGA-XXBNENTESA-N 470.013 5.056 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810601630 HVVVVXGUVUYVCM-ATIYNZHBSA-N 482.024 5.035 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1810768702 XTTHAVIRCHWVCN-PXNSSMCTSA-N 475.420 5.095 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)c2[nH]1 1811420644 VPWWUMISXAMLRT-QFQXNSOFSA-N 497.986 5.030 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)cc1 1811532705 APJJOOMKYGFQDC-WHLXQMAOSA-N 495.627 5.047 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811749240 PPLONWRTRCPOCU-NVQXNPDNSA-N 495.067 5.923 30 20 JKED Cc1ccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cc(C#N)ccc4F)[C@@H]3c3cccnc3)sc2c1 1812221350 JSCKIUSHRRZCOR-HFZDXXHNSA-N 498.583 5.249 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1)C(F)(F)F 1812675339 OTFZYERBMUUONR-BAGYTPMASA-N 493.957 5.299 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1813768612 PXTPEKNOHJDFIP-CYFREDJKSA-N 472.416 5.210 30 20 JKED Cc1cc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c(C)c1 1813787542 QUXDKSDOMLWDQD-BKMJKUGQSA-N 487.003 5.165 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)c(C)c1 1814380654 UDHFTZZKYQLPJJ-SANMLTNESA-N 498.631 5.025 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cn(C(C)C)cc3C(F)(F)F)[nH]n2)C1 1814394079 AHPKCDCQRYPZBW-IBGZPJMESA-N 463.504 5.083 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCCCCCCCCC(=O)OC)[nH]n2)C1 1814397996 GMENJZFXSMZISO-QHCPKHFHSA-N 486.657 5.442 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n[nH]1 1814720828 WJMVICAYKOLKCB-RZUBCFFCSA-N 452.574 5.337 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1814744152 YZZICBFWCIFBGP-HSZRJFAPSA-N 489.938 5.041 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)C(C)(F)F)n[nH]2)cc1C#N 1815338457 NEOBFYLEPAHQPG-LJQANCHMSA-N 487.551 5.056 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c(O)n1 1816242055 XKHNLQNLECDLHT-FQEVSTJZSA-N 497.958 5.041 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817678392 VERRMCTXKXFVLU-LJQANCHMSA-N 484.025 5.747 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818454361 STHAVFLTTPCXFT-RUZDIDTESA-N 463.541 5.363 30 20 JKED CN(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)c2ccccc12 1818608620 LGBHVWSMYGAJSH-AREMUKBSSA-N 492.583 5.120 30 20 JKED Cc1nc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)ccc2s1 1818698736 FBEMEKUWNMSSOO-HSZRJFAPSA-N 498.612 5.138 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)[nH]n1)c1ccccc1 1819518022 DOQWXVNRJVJOKL-NZQKXSOJSA-N 497.555 5.161 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)no2)n[nH]1 1819796524 YKERZWORTZLVEH-DENIHFKCSA-N 459.550 5.139 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1820207708 VOHZESADJCCRJR-VWLOTQADSA-N 479.540 5.063 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3c(Cl)c2OC)n[nH]1 1820237850 QQVHEFKNJILQFS-IBGZPJMESA-N 452.942 5.107 30 20 JKED CCSc1cccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1820399025 WUMVPDMSKVXDHN-SFHVURJKSA-N 495.008 5.061 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)c1 1820530290 PRMMKBBKEZVKHH-KSFYIVLOSA-N 495.505 5.675 30 20 JKED Cc1cc(C)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1820545647 LPDXJWTWOXAHKH-DVECYGJZSA-N 455.562 5.273 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)n[nH]1 1821007393 UDWBZDWWKZLDDC-ISKFKSNPSA-N 491.542 5.463 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1ccc(C(F)(F)F)c(F)c1 1821085299 FVNUFSAHWABFTL-OAHLLOKOSA-N 492.395 5.216 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)c1 1821273255 GCBJSPLBZDTXPR-LJQANCHMSA-N 486.334 5.347 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C(C)(C)C#N)CC4)ccc21 1821425359 ZKLOENKDJDAZFL-QGZVFWFLSA-N 485.613 5.046 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821692287 DJJWAOLMHRILOS-MRXNPFEDSA-N 465.570 5.116 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1)c1ccc(O)cc1 1822469845 RFLZILQNAINZMX-NLFFAJNJSA-N 496.567 5.365 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cn3ccc4c(F)cccc43)[nH]n2)c1 1823210840 IZYYVPHOENGIQD-AVRWGWEMSA-N 498.562 5.137 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)[nH]n2)c1 1823211322 LUYCZOYFOGVFBP-MZNJEOGPSA-N 491.542 5.254 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)[nH]n2)c1 1823212483 UQODVVKAGGLTSA-DNVCBOLYSA-N 457.525 5.024 30 20 JKED Cc1cc(F)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1823317056 AOFKSJQLRHRHPF-HXOBKFHXSA-N 459.525 5.104 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1)NC(=O)OC(C)(C)C 1823348326 XXFJYUANLXPDRQ-WXJXEWBDSA-N 499.656 5.008 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)cc(C(C)C)c2)[nH]n1 1823421222 RWKBEKVBLCRXTM-HXUWFJFHSA-N 471.399 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824224540 QQTGUASJXNUJMA-HHHXNRCGSA-N 477.649 5.107 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1824540906 QFUNGRJMORNJHY-BKMJKUGQSA-N 493.673 5.411 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1826950239 AWQFZYGQCMUSNR-RJRADHEHSA-N 477.693 5.439 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827352751 SZUIBZDMRPBSMA-AREMUKBSSA-N 493.623 5.104 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c(C)c1 1827683889 OJIDLNFZLFXNCE-YSESTWPTSA-N 464.631 5.037 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)ncc2F)CC1 1827849678 PMNPPIAVEATDLB-HXUWFJFHSA-N 494.449 5.209 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828513430 DXIFWRWFUAUKFV-XMMPIXPASA-N 453.602 5.533 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(=O)Nc2ccccc2)CC1 1828824484 LXQKALOUMXMFPL-FTJBHMTQSA-N 479.665 5.184 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1828826756 LLRPNLISDSYJSG-LVXARBLLSA-N 495.067 5.732 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2F)CC1 1828829051 WVLMCLAOJHRCFY-AZGAKELHSA-N 470.629 5.155 30 20 JKED Cc1ccc(OCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1828903945 LCBQYDMUHOJSRM-SANMLTNESA-N 482.741 5.045 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCn2cccc2)CC1 1828906493 PCRXPVGWYXCMBF-AREMUKBSSA-N 483.773 5.329 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1830419453 QXUNGGXXNXBXGM-DHLKQENFSA-N 487.710 5.039 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1 1830575678 YWABYCLQPNRZFN-RUZDIDTESA-N 481.999 5.217 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 1830766608 JYMIREPBLLNKDH-XMMPIXPASA-N 467.972 5.206 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)c1 1830769712 VWYKCPYDLHCMSH-NDEPHWFRSA-N 480.612 5.270 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1 1831515333 PTCQCPSVODMJHH-MUUNZHRXSA-N 471.645 5.052 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1831695319 ICHRKBNMCVBTSU-MKKLIPOPSA-N 463.666 5.763 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1832023847 LEZCWWIQIHEBRX-ZYVKACNBSA-N 498.667 5.313 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC(F)(F)F)CC2)c1 1832629881 WPKHAGWDCXYNTN-XMSQKQJNSA-N 463.544 5.280 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)ccc1F 1832704104 GWJSAGBRXVTSDI-AREMUKBSSA-N 491.607 5.340 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832712114 RLDOHCXIIKBARK-QGZVFWFLSA-N 468.413 5.030 30 20 JKED CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1)c1ccccc1 1837634012 AWTLLJKPXYCVTL-MHZLTWQESA-N 496.768 5.230 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1(C)CCC1)C2 1845227024 BTHMIJVJYHTCNO-NRFANRHFSA-N 477.690 5.024 30 20 JKED C=CCn1c(SCC(=O)NC2CC2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 9397833 DGLNALPCIJQRLJ-UHFFFAOYSA-N 455.587 5.025 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1CC 10174278 USGDZUDULPYMCG-UHFFFAOYSA-O 458.434 6.457 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1OC 10242802 HIQCKUDLSOAEIJ-KRWDZBQOSA-N 450.608 5.557 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1cccc(O)c1)c1ccc(-c2ccccc2)cc1 10825727 GNJLMTNTALZOSY-UHFFFAOYSA-O 459.978 6.051 30 20 JKED N#CCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 15029173 PZHPAUXZCQABNR-UHFFFAOYSA-N 460.342 5.113 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3cccs3)n2)n(Cc2ccccc2)c1C 16675156 BNTBZDREFPOAOL-UHFFFAOYSA-N 476.583 5.005 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1OC 16863487 JEEIZWCKGOHHBH-CQSZACIVSA-N 473.396 5.022 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)n(Cc2ccco2)c1C 20043029 ZFDYOBPSOKBUAR-UHFFFAOYSA-N 467.938 5.052 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)cc1[N+](=O)[O-] 20860118 IDANAQBAWSDGAK-UHFFFAOYSA-O 460.457 5.260 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(COc3cc(C)ccc3C)o2)cc1 23972433 DSHYLQDNICQUNS-LJQANCHMSA-N 450.564 5.001 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCc3sccc3C2)nnc1-c1ccc(C(C)(C)C)cc1 23998885 UGBAMIXTTVEYQR-QGZVFWFLSA-N 466.676 5.556 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(CO)c1)c1ccc(Br)cc1 24033666 KBKULPBDQFKUMI-UHFFFAOYSA-O 492.418 5.433 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1-n1cccc1 32039356 WWDYRYIRPSVMHL-KBPBESRZSA-N 488.407 5.441 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2csc3ccccc23)c1 195585272 RRIWGLKKKYBDSU-UHFFFAOYSA-N 471.607 5.476 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1 255937853 DWIKEOPMWQOPGT-UHFFFAOYSA-N 466.990 5.314 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1cccnc1 302702957 UKVGLOMFUORLBR-KGLIPLIRSA-N 462.406 5.191 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 302977403 JQEYEFDIZKGDSL-UHFFFAOYSA-N 488.385 5.330 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1Cl 409636412 CTSSJJACHYJKEZ-VWLOTQADSA-N 495.970 5.964 30 20 JKED COc1ccc(SCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487420514 PPOKGSGHGAYPFM-UHFFFAOYSA-N 463.506 5.364 30 20 JKED COC(=O)CSCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 491289762 QHGSLOOQNSNRQU-UHFFFAOYSA-N 477.561 5.338 30 20 JKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c2)C1 499177173 QJRDDHATCRGAIB-XXBNENTESA-N 454.592 5.112 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cccc(COCC(F)(F)C(F)F)c1 502128967 PLIWYMLOOWLIIF-UHFFFAOYSA-N 456.383 5.248 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)CC2)c1 502605319 XOGIJJMDCAQSJI-UHFFFAOYSA-N 489.963 5.068 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)nnc1-c1cccnc1 503715499 ZURKDZDCPUPYPN-KGLIPLIRSA-N 464.620 5.215 30 20 JKED CN(C)c1nc2sc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2s1 509489486 QMGKKAZYEPVSNY-UHFFFAOYSA-N 450.564 5.277 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 509519520 KBYBMLCWFUCWAU-UHFFFAOYSA-N 461.569 5.368 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1Cl 510024487 TXAFJBJOCDPRHR-NFBKMPQASA-N 466.006 6.270 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 510505703 IXXDMWAZZNXMPV-INIZCTEOSA-N 461.472 6.287 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 510505704 IXXDMWAZZNXMPV-MRXNPFEDSA-N 461.472 6.287 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)n1 511645434 FVPWXGIIFOLNQM-KRWDZBQOSA-N 452.363 5.192 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 511911477 ZMEGAZHNIYDOSU-UHFFFAOYSA-N 473.426 5.372 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 512541845 XXZZDZDBXJSMRW-UHFFFAOYSA-N 491.494 5.128 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(Cl)c1OCCC(C)C 516713622 CFCQSKOYKXGTOT-LJQANCHMSA-N 479.989 6.259 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)n1 516789077 HDNWZWBGURNCKV-LJQANCHMSA-N 457.511 5.440 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2cccc(F)c2)C2CC2)cc1Cl 517151275 FXVDYMNYBLMYQK-HSZRJFAPSA-N 461.924 5.264 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H](C)c1ccccc1Br 517280157 ZITNPSHAGVUALU-KRWDZBQOSA-N 472.383 5.070 30 20 JKED C=CCN(C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 518600711 QJNVXRKIBMCPHQ-UHFFFAOYSA-N 484.990 6.133 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 518785463 ZVQFADPLOJUHKQ-OAQYLSRUSA-N 479.605 6.316 30 20 JKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520179317 ZRNHFFBZAHOUBF-KRWDZBQOSA-N 468.384 6.863 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2nc3cc(Cl)ccc3s2)c1 520408246 YAEXEZFUDXVKIG-UHFFFAOYSA-N 493.013 5.482 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)CCc1ccc(C#N)cc1 520448026 ZJVZABNKQJBWON-UHFFFAOYSA-N 451.448 5.709 30 20 JKED Cc1nnc(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1Cc1ccccc1 520560252 AXDOHLKLXDZMPV-UHFFFAOYSA-N 455.543 5.030 30 20 JKED Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 521260807 JDPFMAOSIPXLQH-MRXNPFEDSA-N 483.590 6.636 30 20 JKED O=C(Nc1cc(F)c(F)cc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 521510236 VCNZAFJICZUSOC-UHFFFAOYSA-N 453.264 5.580 30 20 JKED COc1ccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)N2CCCC2)cc1 523129759 SOWDFMFIKQOFGE-MUUNZHRXSA-N 486.591 5.255 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 524428763 YJASXPFTHMMYJN-OAQYLSRUSA-N 469.513 5.189 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)c2C#N)C1 590613417 PAOVSXFMVDWOJT-CQSZACIVSA-N 475.536 5.254 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 601904717 MZKVFJZKNGDNOY-UHFFFAOYSA-N 458.524 5.993 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)c3c4c(nc5ccccc35)/C(=C\c3cccs3)CC4)CC2)c1 603461355 YGHFQDOUPIHOIS-JZJYNLBNSA-N 477.593 5.012 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 603739794 DHJWHCGEUKVQIT-SFHVURJKSA-N 481.478 5.323 30 20 JKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2n1 603835792 YNUZVWLYEOENLA-IBGZPJMESA-N 456.889 5.899 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)c2)cc1 603921457 ZSEZIAIIMQBTCH-NRFANRHFSA-N 494.517 5.601 30 20 JKED N#C[C@H](Cc1ccccc1)Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 604040758 SKZFDJIGXUKOCU-NRFANRHFSA-N 469.561 5.082 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 604365123 VYVIEPWDCWVETR-HXUWFJFHSA-N 452.514 6.212 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)cn2)c1 608937469 ZPSRRQBZAXGCLT-TUSQITKMSA-N 466.541 5.158 30 20 JKED C=CCN(C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609033393 LVORDUGEWTVUDG-UHFFFAOYSA-N 490.585 5.358 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)cc2)c1 609065073 UMWJAJZXWAOAGE-UHFFFAOYSA-N 452.489 5.203 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(OCc2ccccc2)CC1 609078387 NFDQSYZPPMTCLD-UHFFFAOYSA-N 455.558 5.659 30 20 JKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103876 GQPNUSVRWWPSHN-HNNXBMFYSA-N 451.479 5.304 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609104919 QHTRUMBENZDLRB-INIZCTEOSA-N 463.534 5.354 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609213512 RNDMJEWCJWMSCC-QFIPXVFZSA-N 464.566 5.056 30 20 JKED CN(Cc1ccccc1F)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 613119200 FDTQEDHIMJRTKV-UHFFFAOYSA-N 454.342 5.372 30 20 JKED CC(C)c1c(C(=O)NCc2ccc(F)cc2C(F)(F)F)cnn1-c1ccc(C(F)(F)F)cn1 613806684 XAYJAYKVOCQGQG-UHFFFAOYSA-N 474.380 5.497 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)cc1 615001734 FUJDQHJJORGCGG-JOCHJYFZSA-N 465.347 5.124 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 615706607 DWHWDJICMPFMQM-BYNSBNAKSA-N 483.428 5.095 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 622255339 OSFFZGZCXYOCIU-CYBMUJFWSA-N 459.474 5.937 30 20 JKED FC(F)(F)c1nc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c2ccccc2n1 725831158 NPIJBGQELKVMFE-UHFFFAOYSA-N 459.435 5.342 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCOC(C)(C)C)c1cccs1 726421499 NBXNNSMDQNKBGM-SMTGWPMVSA-N 495.617 5.231 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C(C)(C)C)CC1)c1cccs1 726421507 NFYIBJYKJAUPLQ-BOXWKXTKSA-N 498.718 5.401 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCOCC(F)(F)F)C2=O)cc1 726422720 YKZLIJOZQPWPRF-GYKYHBNRSA-N 499.580 5.025 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 727224703 RIABOXNXGQWGAT-MHZLTWQESA-N 479.628 5.858 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C\c2ccccc2Br)cc1 727354719 JMYGPSSXKXCNFF-DDAIRQTISA-N 453.361 5.517 30 20 JKED COc1ccc(-c2nc3c(s2)C(=NNc2ncnc4c2cnn4-c2ccccc2)CCC3)cc1 727778332 CUYUXQCKEZSZJO-UHFFFAOYSA-N 467.558 5.100 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 728028563 MKEMVBQUSSSWTD-VWLOTQADSA-N 471.557 5.650 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 729041482 JPYWGPARFFATFR-UHFFFAOYSA-N 468.435 5.182 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ncccc1C 729630895 FNAUMKSILXOXFQ-JOCHJYFZSA-N 480.540 5.137 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC)c(Cl)c3)N(C3CCC3)C2=O)cc1 730461296 BBKNMXYRJLHYCN-OAQYLSRUSA-N 488.009 5.260 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(C2CCC2)C1=O 730461354 CDTMHDBCGBGLCS-FQEVSTJZSA-N 475.973 5.309 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2C2CCC2)c1 730463131 SNUFMODFXOOGEN-HSZRJFAPSA-N 497.617 5.005 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 730474289 LHIZXMDMXGGGIH-CVDCTZTESA-N 478.639 5.645 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cocn3)C2=O)cc1 730712184 KBNZGVVOCLGUJI-FQEVSTJZSA-N 468.966 5.105 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1Cl 730715183 LBFSYIQGXYUOKN-QGZVFWFLSA-N 475.357 5.142 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(Cl)cc1 730717644 QJWVEDXRESJVHF-RTWAWAEBSA-N 492.004 5.086 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl 731151388 OBNIWEUCHPHXSM-UHFFFAOYSA-N 498.996 5.177 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2c(C)oc(-n3cccc3)c2C#N)cs1 742593918 BUIMPOAESDUXMV-UHFFFAOYSA-N 474.542 5.311 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)cc2)C[C@@H](C)O1 747365579 SWKMFHFOAAJMQF-QZTJIDSGSA-N 488.613 5.046 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 749485964 ITFDMXZGHJAYTF-DNQXCXABSA-N 488.385 5.348 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(CC(F)(F)F)C1=O 799214556 CHNMHNZTENJMLZ-SFHVURJKSA-N 499.942 5.488 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@H](C)c2ccccn2)C1=O 837882067 ZUNGDTUOKMKMHE-OPAMFIHVSA-N 495.004 5.465 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N([C@H](C)c2ccccn2)C1=O 838232056 KEDLHLNWCRGENF-UZUQRXQVSA-N 492.576 5.259 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccn(-c3ccccc3)n2)c1 899866602 GDJAYSLNRPBAPI-UHFFFAOYSA-N 492.988 5.159 30 20 JKED Cc1cc(C)n(Cc2cccc(-c3noc(C4CCN(c5oc(-c6ccco6)nc5C#N)CC4)n3)c2)n1 904528251 MDPHBYOLGLFTGF-UHFFFAOYSA-N 495.543 5.102 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc(C)c2)C1=O 912771795 NENYZFFIRWDAOU-HSZRJFAPSA-N 477.561 5.303 30 20 JKED CCN(CC)c1ccc(N(Cc2cccs2)C(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1 914529989 WIZKYBMVJIMWBE-UHFFFAOYSA-N 462.619 5.349 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1 914548172 BTVXFWWHGGIRNA-HSZRJFAPSA-N 488.613 5.176 30 20 JKED CCOc1ccc(-c2nc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)cs2)cc1 914992103 KAOMKXIUWBSPIH-UHFFFAOYSA-N 492.601 5.409 30 20 JKED N#C[C@@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 915102031 PWBSDVKVVWNZTA-KRWDZBQOSA-N 456.976 5.714 30 20 JKED COc1cc(/C=C\C(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)Nc1ccccc1Cl 915271310 SSMNDUULEMVSDP-BENRWUELSA-N 460.917 5.744 30 20 JKED CCCCC/C(C=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C\c1ccccc1 915925178 CTZHMSURDGKVES-KILBKRJZSA-N 461.635 5.421 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccccc3)C2=O)cc1OC 916207924 OXLIHOJYIIEUKW-DEOSSOPVSA-N 489.597 5.173 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC(F)F)cc1 916212055 RKAWJHASYLBDRD-SFHVURJKSA-N 497.951 5.320 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccccn3)C2=O)cc1 916212676 PNDJIKHOUXIVJO-QFIPXVFZSA-N 492.988 5.098 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c1 916213029 WTUOKDKYSSBCNR-FQEVSTJZSA-N 469.950 5.102 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1F 916214536 OHMDVCJAHMPSFU-KUHUBIRLSA-N 496.391 5.272 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC)cc3)N(Cc3ccco3)C2=O)cc1 916215381 UTMUOJJTUOGERA-QHCPKHFHSA-N 493.585 5.238 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1Cc1ccccn1 916216040 NVLYBMMDKSYXBS-NRFANRHFSA-N 498.530 5.569 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O)Nc1ccccc1 916217036 CHDAZQMNTPKPPI-DEOSSOPVSA-N 466.566 5.395 30 20 JKED Cc1cc(/C=C/C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1C1CCCCC1 916847372 PCWZSOUMXRERHB-IWGBCORSSA-N 474.630 6.089 30 20 JKED N#C[C@@H](C(=O)CCCSc1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916886999 LMHOHEWNZRYACQ-KRWDZBQOSA-N 454.951 5.875 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916899264 JBNSGMUJKCSMQS-HSZRJFAPSA-N 463.541 5.020 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 916902886 LOYBZDNIBUJXAG-CNRGFGOASA-N 468.937 5.885 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 916903109 LFAZTZNBXXKEBS-LJQANCHMSA-N 451.979 5.478 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 916912907 TXNWZUSMUDKSNP-GOSISDBHSA-N 496.748 5.316 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc(-c2ccccc2)cs1 917429732 WCSPVEAYTRCBRL-OAHLLOKOSA-N 486.441 6.177 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cnn(-c2ccc(Br)cc2)c1 917536326 PALHYJXKABQUKI-UHFFFAOYSA-N 489.402 5.141 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccco1 917703320 XQUAQLMABZFXQT-DEOSSOPVSA-N 480.549 5.465 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)cc1F 917703427 MIAJFTCHWYFHCI-HSZRJFAPSA-N 472.545 5.166 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccsc3)C2=O)cc1 917705332 ZQVVCWXNCMCLKU-JOCHJYFZSA-N 490.610 5.179 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OCC)c(F)c2)c1 917837640 ZBQZFYNOPPKVTD-UHFFFAOYSA-N 488.968 5.511 30 20 JKED COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C 917876813 RLNMACRQTNHHCL-UHFFFAOYSA-N 467.909 5.004 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 920106133 SHENFERKRPYBSV-SFHVURJKSA-N 469.501 5.130 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@H](C)c2ccc(C)s2)C1=O 920170681 NILVJQZFGJBHJQ-BZNIZROVSA-N 456.420 5.192 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nc(-c2ccncc2)cs1 920267893 LKJGARAZWZRKQL-NRFANRHFSA-N 473.941 5.345 30 20 JKED C[C@@H](OC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12)C(=O)N(C)CCC#N 920706825 YDWVXLPCLDELND-MVGZEHJDSA-N 498.402 5.147 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 928988836 VERVOYNMMKOLLR-NRFANRHFSA-N 494.551 5.513 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ccccc4c3Br)C2)C1 1782443808 NSBUMSRKLLSFDB-SANMLTNESA-N 499.449 5.038 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)CCC1 1785958713 CMQSLGALORQRJJ-OAHLLOKOSA-N 490.373 5.137 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4C4CC4)cc3)CCC2)cc1C#N 1786060575 VPDPFQDUSUXDNS-ZEQRLZLVSA-N 457.574 5.139 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3Cl)CCC2)cc1 1786394216 XFTYLPMZZHJYBI-KRWDZBQOSA-N 452.407 5.091 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C45CC(C(F)(F)F)(C4)C5)cc3)CCC2)c1 1786461678 FVMCKXARRGGUFZ-XSHKEIFESA-N 481.518 5.794 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC(C)C)CCC2)cc1 1786548355 UAHRHXMWLNTKMN-OAQYLSRUSA-N 457.615 5.026 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)c(F)c3)CCC2)cc1 1788029536 IKSNQVQQZHLIAB-UHFFFAOYSA-N 498.602 5.522 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5c(c4)CCCO5)cc3)CCC2)cc1 1789183236 KXBWUZJLXGXZSV-UHFFFAOYSA-N 479.580 5.068 30 20 JKED Cc1cccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)[nH]c12 1789254934 MZALYSPUJQMXER-UHFFFAOYSA-N 462.553 5.604 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Br)cc4s3)cc2)CCC1 1789288488 KMYOZGBYFADTIE-UHFFFAOYSA-N 468.376 5.325 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)c(C(F)(F)F)o1 1790255211 JTLJBUWORJVHFV-UHFFFAOYSA-N 467.447 5.540 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(OC)cc4)CCC3)cc2)CCC1 1790481472 FMZIQDVLDBXOIY-UHFFFAOYSA-N 476.617 5.234 30 20 JKED COc1ccc2[nH]cc(/C=C/C(=O)Nc3ccc(C4(NC(=O)[C@@H](C)ON=C(C)C)CCC4)cc3)c2c1 1790563751 QGSJDKWKJJWKFO-CQTFCRGUSA-N 488.588 5.125 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1 1790567297 KQQZPEWGAMNZSK-HXUWFJFHSA-N 498.583 5.110 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(F)c4s3)CCC2)cc1 1790568368 SMIGTXHZVLZDGF-MRXNPFEDSA-N 467.566 5.589 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(F)nc4)CCC3)cc2)c(Cl)c1 1790763839 ANUMZKIRCXXBDN-UHFFFAOYSA-N 476.939 5.126 30 20 JKED COc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790765800 CYSXZSLQMYCKDN-UHFFFAOYSA-N 489.959 5.047 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)ccn1 1790785167 RDIIYRSXLFVQFN-UHFFFAOYSA-N 478.474 5.342 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CC4CCOCC4)CCC3)cc2)cc(C(F)(F)F)c1 1790785189 UQBJJFKCCHCJCX-UHFFFAOYSA-N 485.506 5.141 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccccn5n4)CCC3)cc2)c1 1792123492 DNTQPFKUAJPFKG-IBGZPJMESA-N 463.541 5.023 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4cc(Cl)ccn4)CCC3)cc2)c1 1792125404 YSZPAGTXZBEFPH-GOSISDBHSA-N 488.975 5.189 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@]3(C)CC3(F)F)cc2)CCC1)NC(=O)OC(C)(C)C 1792250502 APHPADZBIIZCFD-DVECYGJZSA-N 491.579 5.025 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C34CC(c5ccccc5)(C3)C4)cc2)CCC1 1792380277 HAUARYMHYUGFSJ-FUNONRDXSA-N 459.590 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C 1793475067 AUYGJIORXIBRLE-KHUIQGCPSA-N 497.680 5.191 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(C#N)c1)C2 1795128089 CNHGEWMYEQBXAA-REPLKXPHSA-N 498.421 5.085 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1 1797985868 PIXKDZLQKRVIPA-WKCHPHFGSA-N 499.920 5.144 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(-c3ccccc3)cn3ccccc23)cc1 1799192889 KYFMNXSIXNVRAF-OOSCYNTBSA-N 488.591 5.238 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Br)c2)CCCC1 1801594614 NEBLQFPVZQDTFY-HLRQEUIKSA-N 473.455 5.111 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Br)cs2)[C@@H]1c1cccnc1 1802504618 ZRXPLLZJLTUUMT-FXAWDEMLSA-N 490.467 5.218 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)CCc2cccc(C#N)c2)[C@H]1c1cccnc1 1802958530 QJJZUPVWLISVCV-LITSAYRRSA-N 488.676 5.588 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1 1805098321 JNZYLPAKADRSSM-IBGZPJMESA-N 464.009 5.434 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)C1 1806669364 AYTGRDVIIFXFER-UHFFFAOYSA-N 482.612 5.179 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1808460911 INPOWIHJLWVOKJ-BFLUCZKCSA-N 484.600 5.133 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@H]1c1cccnc1 1808824418 GKPOHKVNMCSRGN-JROWUHHQSA-N 498.627 5.059 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 1809493059 CJDFKKLGQGJYHH-QXKGQSRSSA-N 490.563 5.041 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)cc1 1809619285 XDSDYGAIBVOPGY-AUZDNXPLSA-N 498.671 5.198 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1810172213 KWGXZXIDRPLNLH-YZUZCNPQSA-N 477.605 5.523 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810173987 KOVPPDXUGGBPLK-LSCGWGKXSA-N 491.607 5.098 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(F)c(F)c3)C2)CC1 1810387842 ZVCOELNFHOJGEI-UHFFFAOYSA-N 479.571 5.065 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1810504488 ZIPFPPFVTNMNEJ-SGIRGMQISA-N 480.052 5.463 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1811200615 GOMQJYWRIOLJEA-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811270552 AFUCCJKJIFKGMM-OICBGKIFSA-N 470.617 5.021 30 20 JKED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1811412159 FPUIQLKRUXAVGW-NRYAXDJKSA-N 481.706 5.315 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC1 1811872796 GXCYSPQXGZQFNZ-JBIZMDSKSA-N 498.549 5.118 30 20 JKED Cc1ccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4)[C@@H]3c3cccnc3)sc2c1 1812221793 WVMLIEWLVQRGPX-JYFHCDHNSA-N 480.593 5.110 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1c1cccnc1)c1ccccc1 1813547705 LLBOWWYYYZITOE-NAFCUQSLSA-N 471.645 5.111 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1 1815207885 NKAIQFMBWNJDHO-FQEVSTJZSA-N 478.515 5.026 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815533826 QQCJRBWIUCWGSV-KPIBZCQDSA-N 480.556 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)noc2C)n[nH]1 1816335682 HOELNKUJBUKEEF-IFMALSPDSA-N 473.577 5.447 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(-c3ccccc3)c3ncccc23)n[nH]1 1817797108 YROIAWNAMYTSTM-VWLOTQADSA-N 494.599 5.248 30 20 JKED CC(C)n1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)c(C(F)(F)F)c1 1818213748 KKXVRTIOEHMOFQ-NRFANRHFSA-N 498.509 5.302 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818478276 FYWCUCPVMNLQGE-XMMPIXPASA-N 487.680 5.315 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)[nH]n1 1819303081 BVUIYKFVBZVQDQ-YJBOKZPZSA-N 493.942 5.134 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)[nH]n1 1819386251 FDUGAADLDPAJPF-QHCPKHFHSA-N 492.696 5.092 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)c1Cl 1820222646 CGZWMOSXGAPVEC-RDEMWXPNSA-N 465.985 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)n[nH]1 1820950279 LRANDBBZDHPJTA-ICSRJNTNSA-N 489.661 5.088 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821108482 SJAGGVFOMNVGMZ-FUHWJXTLSA-N 499.862 5.086 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1821324095 LUVSDRDMNACKIM-RUZDIDTESA-N 463.541 5.363 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821611276 PDPKNHFPRCAFFP-RDTXWAMCSA-N 467.551 5.051 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1)C(F)(F)F 1821994009 PIFQEFOFKURRKD-NRFANRHFSA-N 485.510 5.242 30 20 JKED C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1)c1ccccc1 1822039433 VGISRSQDFCWWQG-NLFFAJNJSA-N 469.589 5.100 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(Br)cc2)n[nH]1 1822218034 HUVOSJREMLZCIJ-NKSQBSFPSA-N 483.410 5.071 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2Br)n[nH]1 1822514176 GABDDBXEUONSRI-GMPUNJPXSA-N 471.399 5.090 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)[nH]n2)cc1C#N 1823293576 CKNSOXKXIFSMHM-RXFWQSSRSA-N 497.546 5.120 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823307513 UJCPXZOFPHCNPQ-FUHWJXTLSA-N 488.963 5.342 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)C1 1823700812 ZFUCVLQQIHNGEK-QHCPKHFHSA-N 473.539 5.386 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cc(OC)cc2F)CC1 1823753434 OZEBTKZKZWKTLW-JOCHJYFZSA-N 462.581 5.199 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 1823814312 VRLAPXMXBQSUHG-YTMVLYRLSA-N 489.635 5.299 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Br)ccc3F)CC2)c1 1823931871 JRYYBNABODLRJX-HSZRJFAPSA-N 498.396 5.007 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824055738 CSQRUAQCBINNJI-SKCUWOTOSA-N 482.628 5.051 30 20 JKED O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056703 CNQNPHKBXPBAIB-DJOPODEESA-N 467.053 5.138 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1825096828 VCFOLSZDJPIBPJ-YTHCHYJSSA-N 480.612 5.295 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3occc3n1-c1ccccc1)CC2 1825253084 GPEMTLIRUDDIOH-OAHLLOKOSA-N 496.539 5.117 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(-c3ccccc3)cn3ccccc13)CC2 1826039989 HCXQGDJYHUJDSI-HXUWFJFHSA-N 482.609 5.092 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330889 GJOVRWFSJQJBGA-NDEPHWFRSA-N 471.645 5.484 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccs1 1827684198 QZWQKQYPIBQJKC-AKNQKSQZSA-N 486.637 5.574 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(C(C)(C)C)nc2)CC3)c1 1827690353 CZOXBIGODQPFMG-JXFKEZNVSA-N 487.629 5.002 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828150381 PZOLVINQNYTTEO-FCHUYYIVSA-N 462.059 5.009 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828652074 BNZOMQKCCUJTRI-HHHXNRCGSA-N 486.015 5.173 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828828930 VBIHIQDGTSFPPK-IGKIAQTJSA-N 475.633 5.245 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](C)Oc2ccccc2)CC1 1828830121 LNZVYFGBVBILKK-DNRSQYFGSA-N 452.639 5.232 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2CCC)CC1)c1ccccc1 1829033480 VVRYKRVERKHOTP-UIOOFZCWSA-N 489.660 5.366 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)CC1 1829424660 XJSKCLCYBFTHIJ-PKOBYXMFSA-N 469.573 5.164 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4[nH]ccc4s3)CC2)c1Cl 1829690284 VCDSBZFBRQKHFH-FQEVSTJZSA-N 481.021 5.302 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829937912 UDFCJQMJSSWSOM-OFNKIYASSA-N 462.556 5.707 30 20 JKED COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1829987835 PHJJAHPCWZQLEV-DEOSSOPVSA-N 499.533 5.133 30 20 JKED COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc(C(F)(F)F)c1 1830017236 VUYJWMSPWBDQTF-DEOSSOPVSA-N 499.533 5.133 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)cn1 1830601616 GSMFRVQESPKDKU-SSEXGKCCSA-N 491.635 5.337 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)c1 1830718930 OYVBYUDUFHVPFT-HSZRJFAPSA-N 493.579 5.598 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)CC2)C1 1830827824 WUIJQUUOEBNXCI-DEOSSOPVSA-N 451.998 5.088 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)c1 1831226709 ZEHSVWKSYWFODL-PXDATVDWSA-N 494.010 5.314 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 1831378445 YQSOVODDEOJWHM-BTYIYWSLSA-N 483.397 5.173 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1831598485 FBBBBUOMNDPZBU-HHHXNRCGSA-N 475.608 5.297 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831727914 POPIMCDAELEZCL-QHCPKHFHSA-N 475.555 5.071 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1 1831747836 WYYKBZMUAVGQEH-UKILVPOCSA-N 476.752 5.192 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)cc2Cl)CC1 1831774107 WELDRVXCXRMSTC-RIGHGNHVSA-N 471.041 5.447 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1832030008 AJFISTBCIZNSDX-RUZDIDTESA-N 495.067 5.167 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1832030134 HTLQFRFKHBLDFQ-OAQYLSRUSA-N 466.519 5.271 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CC=CCC1 1832406507 IZDUQCKEOGRTFZ-ZEQKJWHPSA-N 498.465 5.300 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)c1 1832628898 GOGIPKJKOMPUBA-NTKDMRAZSA-N 471.592 5.372 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1832630052 XVVFDEJMGRECON-AFMDSPMNSA-N 496.026 5.582 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c1 1832630688 KSBCPWDTKCDKSO-VGOFRKELSA-N 487.522 5.473 30 20 JKED COc1cc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1832634108 RTZFULMRFWZVGX-BVZFJXPGSA-N 495.570 5.148 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634810 ZVEAAZNJGBNWFX-YKSBVNFPSA-N 490.673 5.368 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832978851 BFCSKZLJCOEMQJ-NVQXNPDNSA-N 478.700 5.403 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)c3c(C)noc3n2)c(C)s1 10279430 ASFNHXTVCRUMLF-QHCPKHFHSA-N 489.576 5.038 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccccc2CC)cc1 11251123 VAALVXQQGZPISU-UHFFFAOYSA-O 461.607 5.381 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 14872038 WROBPIRXHQQLPY-UHFFFAOYSA-O 496.494 6.647 30 20 JKED CC(=O)Nc1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 16407951 KBBWWJXYQGTQRS-CTVDDJEBSA-N 464.565 6.217 30 20 JKED C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1ccc(C#N)c(Cl)c1 16872557 SUPSFVSMJXSISE-MRVPVSSYSA-N 460.268 5.046 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1cccnc1 18405766 OZIAFNBTYGKHAF-HSZRJFAPSA-N 476.005 5.177 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCc3sccc3C2)nc2scc(-c3cccs3)c2c1=O 21953589 JMHNILLFYJGZDK-AWEZNQCLSA-N 499.708 5.500 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 22551175 PWXNHDPHRPXSCC-HXUWFJFHSA-N 473.429 5.894 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccccc2)cc1 22800609 PBIRWWSSVMOPPL-UHFFFAOYSA-O 460.406 5.061 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3scc(-c4ccccc4)c3c(=O)n2C)cc1 23523318 LEGMLPOPWDRZAQ-GOSISDBHSA-N 488.638 5.398 30 20 JKED CC[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccccc4SCC#N)n3C)cc2C1 23552773 NFARKORZZIEIPZ-HNNXBMFYSA-N 483.688 5.405 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccc(OC)cc1 23998294 SZGXGLTZMDWJCA-HXUWFJFHSA-N 475.618 5.184 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1 25190038 CRXQOZDLECQWJB-UHFFFAOYSA-N 481.990 5.164 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 25846298 IUJNCTKYCPGKFF-UHFFFAOYSA-N 456.015 5.016 30 20 JKED CCCCCCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1c[nH]c2ccccc12 28614798 ZDPNEAOVXHIQET-UHFFFAOYSA-N 464.620 5.671 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OCC)c(OC)c3)n2)nnc1-c1ccco1 29548896 GJQUBANZBZZZGJ-UHFFFAOYSA-N 454.577 5.547 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 45231583 FOGHELFSRJTUSL-UHFFFAOYSA-N 460.559 5.782 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1Cl 69627245 IXRLMYSMZBPSTD-QFIPXVFZSA-N 471.969 6.562 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(N3CCCCC3)n2-c2ccccc2)c2ccccc21 104942607 BAUKAGPFSRXKFT-UHFFFAOYSA-N 470.602 5.101 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 108374965 PQQOHBUEPHLZHG-UHFFFAOYSA-N 470.504 5.482 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(COCC(F)(F)F)cc1 409451139 BWZDLOFGVHUEAK-UHFFFAOYSA-N 489.307 5.565 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 409548209 IJEXEEBJQZZWPF-XMSQKQJNSA-N 461.375 5.454 30 20 JKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 473760141 JFXJKEZFAVKFEC-KRWDZBQOSA-N 450.000 5.408 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc(-n2nccc2C(F)(F)F)c1 501881702 MHGBCZUTVGTNBX-UHFFFAOYSA-N 463.309 5.346 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 502514716 VNGGXNHIAOSOMW-KRWDZBQOSA-N 486.012 6.181 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C#N)C1 503069928 BAWGZGLJKUEXCN-AUUYWEPGSA-N 499.036 5.268 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 503540789 YQMFMHJBRYAFHG-QFIPXVFZSA-N 461.587 5.571 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC)c1nc2c(s1)CCCC2 504410679 HKWGMRLDPXBGFW-KRWDZBQOSA-N 467.664 5.563 30 20 JKED N#Cc1ccc(CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2cccc(F)c2)cc1 505802656 OFHGKNBKUIYMTF-UHFFFAOYSA-N 458.562 5.150 30 20 JKED Cc1csc(-c2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2)n1 506042976 AQHXOMFHCMSCSP-UHFFFAOYSA-N 484.606 5.973 30 20 JKED O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCC#Cc1cccc(C(F)(F)F)c1 508550365 HOVOBLXOJKRLJT-UHFFFAOYSA-N 476.454 5.414 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc(C)nc21 508982936 URAKQQFTWHBCRF-IBGZPJMESA-N 455.537 5.564 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)n2)cc1 512505381 YNYHHRLXDJONJJ-WIOPSUGQSA-N 490.544 5.114 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 513665620 GLJWWIJSIPHVPZ-OAQYLSRUSA-N 480.549 5.216 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(OCc3cccnc3)c2)cc1 513983001 KIILWXYRPGUQRF-UHFFFAOYSA-N 466.516 5.906 30 20 JKED COc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Br 513998360 BFTZKZZJPPTNFV-UHFFFAOYSA-N 480.362 5.424 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 514980739 OSCDTZWNPXZASL-UHFFFAOYSA-N 480.634 5.035 30 20 JKED COc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 516010422 HTMQDNXMGSMSBT-HXOBKFHXSA-N 461.949 5.162 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C 517909497 IMMXRLOUQOROBI-QVKFZJNVSA-N 456.409 5.501 30 20 JKED C=CCN(C(=O)CCCCc1ccc(C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 520079812 MFDKLQIKPPEEKC-UHFFFAOYSA-N 468.644 5.454 30 20 JKED Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)nc1 520373575 IXVQGCNSIZMKBT-QFIPXVFZSA-N 470.598 5.045 30 20 JKED C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(NC(=O)c2ccccc2)c1 520613730 CJNHFUGVCWDKSU-FQEVSTJZSA-N 468.557 5.125 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 523937130 BPPPSAAKIWHYKG-SANMLTNESA-N 451.574 5.402 30 20 JKED COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)c1 524158581 CBUUDOJHIJAWCS-OAQYLSRUSA-N 456.546 5.316 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)c1 524385739 PXCNPCUREMTKRG-UHFFFAOYSA-N 480.490 5.406 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccoc1C 589939346 PZLHMKPNYYMBFH-AWEZNQCLSA-N 467.620 5.211 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 591861818 FJKCLFDNYOEZNR-YRNRMSPPSA-N 482.005 5.608 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 603435058 QPDDHXSBTMGWKC-QHCPKHFHSA-N 474.008 5.429 30 20 JKED C=CCN(C(=O)CCCc1nc2ccccc2s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458849 IIXJEYQETDMTDC-UHFFFAOYSA-N 464.572 5.870 30 20 JKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F 603613712 OZNVPEPPFGVUII-QGZVFWFLSA-N 461.428 5.442 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)cn2)c1 603623321 HPAYHGYYYJJSAN-UHFFFAOYSA-N 476.536 5.390 30 20 JKED Cc1nc(NC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)sc1SCC#N 603775916 ZJYVCDGAADHSDN-KRWDZBQOSA-N 474.405 5.589 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCn2ccc3ccccc32)cc1Cl 604135124 GXGWVOFECVBYLT-HSZRJFAPSA-N 470.960 5.095 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2OC(F)(F)F)cc1Cl 604136952 DTXIYEBQGCUEGZ-LJQANCHMSA-N 487.865 5.149 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604258109 SPRZDYQNSKUBER-NXEZZACHSA-N 484.340 5.295 30 20 JKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 604365116 UGTNAOKCTPMQHT-UHFFFAOYSA-N 459.575 5.237 30 20 JKED CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604461423 YUVWAFQOUPHPLH-UHFFFAOYSA-N 499.527 5.071 30 20 JKED COC(=O)c1occc1CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H](C)c1ccccn1 604568209 NUHFONICIFJVFE-FQEVSTJZSA-N 495.535 5.315 30 20 JKED COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 608841534 RJYQVSGQBURLRR-KBMIEXCESA-N 474.992 5.652 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1 608995224 CZQZPQHNPAZWDE-VWLOTQADSA-N 469.541 5.472 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609062765 YTNLUGUNBNKWJQ-UHFFFAOYSA-N 493.972 5.120 30 20 JKED COc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1OCc1ccc2ccccc2n1 609080588 IGANGZYMCRBIHX-SFHVURJKSA-N 452.514 5.577 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](Cn3cnc4ccccc43)c3ccc(F)cc3)CC2)c1 609212537 XFRUGECGWGKLSO-AREMUKBSSA-N 483.547 5.041 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(Br)cc1F 609381745 UOZBGEZJKXIEBO-UHFFFAOYSA-N 477.277 5.630 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 609400040 FOSZLSSDIQNPJB-VXGBXAGGSA-N 454.354 5.200 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OCC)c1OCC 612894711 JXGZVUOAUMUKRH-SFHVURJKSA-N 470.978 6.150 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 613314176 AFHANXGXMXRVNX-SFHVURJKSA-N 487.537 5.471 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403086 BLCQDJSNGUBNGC-HNNXBMFYSA-N 477.533 5.422 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 619756529 SJTSAKLFOWBSAS-GOSISDBHSA-N 494.523 6.623 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1[C@@H]1COc2ccccc2O1 643092515 VOSNZGVXSMTNEF-YWZLYKJASA-N 479.537 5.327 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nnc1-c1ccncc1 645000843 XQWKCSJPDPLTDL-UHFFFAOYSA-N 459.522 5.961 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 726322671 ZFALKMKTJCXDAM-YCRPNKLZSA-N 485.531 6.232 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1ccccn1)c1cccs1 726418782 AZTOBLIXXFSSIX-YAGFKHCRSA-N 464.616 5.294 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](c2ccccc2)C2CC2)cc1Cl 726890147 HWIIFDKWZMLJMP-JTHBVZDNSA-N 484.021 5.100 30 20 JKED COc1cc([C@H](C#N)NC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc(OC)c1OC 727646878 IADJDFAPKPWIJM-JQYPEGPJSA-N 468.962 5.489 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N(Cc2ccc(OCC#N)cc2)C1=O 727651003 XZQQPLLTBHEZMU-QHCPKHFHSA-N 492.645 5.104 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cs1 727655296 VGAKBNKNCZIKRX-JLHYYAGUSA-N 494.041 7.118 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)c12 727918745 JCNJAQMYMWBRGJ-QGZVFWFLSA-N 472.501 5.098 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 728779350 YSNRAIZQGZZYJH-IBGZPJMESA-N 476.936 5.272 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728780720 XRITVRAKHQRIQH-HXUWFJFHSA-N 488.972 5.142 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3scnc3C)C2=O)c1 729144052 UGUILCYABPYFLT-QFIPXVFZSA-N 492.670 5.846 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(C(C)C)c1 729145367 KPEVPLQFEAKLJM-QFIPXVFZSA-N 492.670 5.413 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 729889066 PJQPZZMMPLFHPC-XMMPIXPASA-N 484.943 5.091 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2ccccc2Br)n1C 730990098 RXVBMQLFWDIFAQ-OAHLLOKOSA-N 454.393 5.959 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C#N)cc2)NC(=O)N1Cc1cccs1 732017831 WIVAMUJWQIVKQQ-QFIPXVFZSA-N 496.514 5.818 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 745313318 LHZXEACOPWVUQQ-YWZLYKJASA-N 487.408 6.282 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(CCOC(C)(C)C)C1=O 746695502 GRNFVIRBHGYCLU-NRFANRHFSA-N 483.634 5.087 30 20 JKED COc1cc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc(OC)c1O 747154547 GWDVTBXMMCNEIM-UNOMPAQXSA-N 465.933 5.585 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cscn3)C2=O)cc1 747601539 VRDKHNBQXXSDHX-FQEVSTJZSA-N 499.017 5.160 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cscn2)c1 747603132 PTTOXTUMQAYPOY-QFIPXVFZSA-N 478.643 5.105 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cscn2)c1 747603630 UXCVDDSYLQTJPB-LJQANCHMSA-N 488.997 5.405 30 20 JKED C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2)C(=O)Nc1ccccc1C#N 755855410 BTPSEIHTUNQGCV-OBKVJGTNSA-N 489.531 5.483 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)C(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 771742965 JUNYYQFRPULIFR-AWEZNQCLSA-N 476.385 5.345 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC(F)(F)F)c1 799214690 IAAKFLLIKPSQHA-QGZVFWFLSA-N 485.915 5.180 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 832010849 RPDQYIFGTZPFAF-GOSISDBHSA-N 498.052 5.416 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c4ccc(C)cc4)cc3)o2)cc1 857835904 YZVVGNKNMXLOHR-OAQYLSRUSA-N 494.551 5.513 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3cnn(Cc4ccccc4Cl)c3)cc2c1C 914773273 AYINCSHUGKFHMZ-BQYQJAHWSA-N 451.935 5.186 30 20 JKED N#C[C@@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nnc2n1CCCCC2 915101187 RBIBEBFYMDQEPY-NZQKXSOJSA-N 450.995 5.357 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1 915283717 FCYYQMYWJGTOKR-UHFFFAOYSA-N 497.986 6.028 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915352427 KTKHQXHGRVHWPS-RPWUZVMVSA-N 455.949 5.640 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916127533 FKMWTAZCOBHHLU-XVNBXDOJSA-N 497.450 5.613 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1C 916206996 WJICZCMJCALKPW-NRFANRHFSA-N 474.026 5.262 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(SC(F)F)cc1 916213262 AHXLAGOGTBCWBL-IBGZPJMESA-N 493.601 5.307 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2C)ccc1OC(=O)c1ccccc1Cl 916341802 LKNLTHVWGKVBTI-UHFFFAOYSA-N 478.961 5.306 30 20 JKED COc1ccc(C(=O)Nc2cccc(C=Nn3c(S)nnc3-c3cccc(Cl)c3)c2)cc1 916344202 FEUZXVFHIVGABY-UHFFFAOYSA-N 463.950 5.030 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1CC(=O)O 916546965 RXFJOPWMHDAYAR-MBXJOHMKSA-N 451.406 5.058 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916903883 XYAVZWDFWWVQNK-AWEZNQCLSA-N 460.342 5.395 30 20 JKED N#C[C@H](C(=O)COc1ccc(F)cc1Br)C(=O)Nc1ccccc1Oc1ccccc1 916904607 HAGLWYQCZXWIIO-QGZVFWFLSA-N 483.293 5.107 30 20 JKED C/C=C\c1ccc(OCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1 916907619 ZHXAZGHMDWQJAI-BMQXQFJCSA-N 456.498 5.247 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916932532 XVGXYSOPHYIQNH-HNNXBMFYSA-N 460.342 5.477 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC 916934892 JITRYDYVEPVIEI-SQJMNOBHSA-N 495.000 5.527 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 916954573 JGOBSSHYBOLOTN-ZHRRBRCNSA-N 489.645 5.386 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1 917038941 WTSGVBIMIOPWRT-ZAHGZRRWSA-N 450.947 5.116 30 20 JKED Cc1cc(C)c(N2C[C@@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c(C)c1 917043907 PDXIGQJZUZBHHO-DOTOQJQBSA-N 471.504 5.470 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cs1 917559915 PDEIJXQTKHWINC-VMPITWQZSA-N 457.338 6.777 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cccc(C)n3)C2=O)c1 917657548 AVOGWMJHALIXEW-QHCPKHFHSA-N 488.613 5.176 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)SC2=Nc2ccccc2C)n1 917661257 ABPXFJMIKAZGNY-NRFANRHFSA-N 497.983 5.046 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)n3)C2=O)cc1Cl 917675488 LEJSKWYNZLNANI-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1Cl 917675977 JZSSHWUTHVSYCB-JOCHJYFZSA-N 486.037 5.067 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917702686 IFSVKRLTCGENCA-KSFYIVLOSA-N 492.601 5.350 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cn(-c2ccccc2)nc1-c1cccs1 917946707 NRROEVXCZBTUQS-UHFFFAOYSA-N 459.575 5.004 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=O)N1c1ccc(C)c(F)c1 918078853 JIVJPXUYPSSTBC-VWLOTQADSA-N 454.505 5.498 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C 919904385 JUICZWUMRMXNGS-SANMLTNESA-N 463.585 6.117 30 20 JKED CCOc1cc(/C=C2/C(=O)c3ccccc3C2(C)C)ccc1OCCn1c([N+](=O)[O-])cnc1C 920070338 OQEWIKYUUHAURA-STZFKDTASA-N 461.518 5.135 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 920103963 KCIOCKGJZYJNDW-BEFAXECRSA-N 467.485 5.158 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 920107845 HBTTWSMEJDSQLZ-UGSOOPFHSA-N 474.369 5.618 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccncc5)cs4)cc3)ccc12 920265020 IUVWIBLHMWCUEG-HSZRJFAPSA-N 493.544 5.689 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cc(C)on3)C2=O)c1 920354284 BXULYHQSABEEQC-NRFANRHFSA-N 482.993 5.414 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc3c(c2)CCC3)no1 920359371 KTHXKXNLZLUCQC-QFIPXVFZSA-N 495.004 5.286 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)C=C1 920394231 IPIMDBRMDWWQAZ-UHFFFAOYSA-O 486.661 5.854 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCc1cccc(C(F)(F)F)c1 920749773 PJFKGJDVSWMMPQ-NTMALXAHSA-N 497.469 6.146 30 20 JKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=Nn3c(C)nc4sccc4c3=O)ccc2c1 920828252 YXQGHDAVXGVCLN-UHFFFAOYSA-N 491.576 5.663 30 20 JKED Cc1c(O)nc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc1-c1ccccc1 1459029502 UNWFVFOEVAACDE-OAHLLOKOSA-N 450.589 5.140 30 20 JKED N#CCOc1ccc(Cl)cc1CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1 1651743460 YXGLVNOITDXESP-UHFFFAOYSA-N 458.330 5.023 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4occc4Br)CCC3)cc2)cc1 1785796794 NTTBPHXJNGXZDL-UHFFFAOYSA-N 492.373 5.294 30 20 JKED COc1cc(F)ccc1CC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785797840 QCQUZQRTUFOVPD-UHFFFAOYSA-N 485.559 5.015 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CC4CC5(C4)CN(C(=O)OC(C)(C)C)C5)CCC3)cc2)C1 1785810179 GKYPKWKDQUSACU-UHFFFAOYSA-N 493.648 5.124 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1786370818 DHFOHSJTNNKDKM-INIZCTEOSA-N 452.938 5.425 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3F)cc2)CCC1 1786994368 CZIKAZUKMAFKHI-PKNBQFBNSA-N 483.952 5.122 30 20 JKED COc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c1 1787758149 PXSMHUMJKDKBOI-UHFFFAOYSA-N 473.960 5.211 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)CCC2)c1 1787764828 HCTKUGZHCSYOSE-UHFFFAOYSA-N 473.960 5.211 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1788029564 LMTOGGMRADJEFG-UHFFFAOYSA-N 499.640 5.184 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)cc1 1788358952 MXXUGPVLCDAMGK-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccn5c4)cc3)CCC2)c1 1788413609 ZBLWYFQIRCUOGM-SFHVURJKSA-N 468.582 5.689 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5ccc(OC)cc45)cc3)CCC2)c1 1789273863 LJDFVMBCSNTGOV-UHFFFAOYSA-N 494.551 5.118 30 20 JKED CCc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1789818888 PMJIFUURCGCDRJ-UHFFFAOYSA-N 486.572 5.266 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)CCC1 1789875039 DORWIEKUNIQOTO-UHFFFAOYSA-N 457.496 5.617 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)cc2)CCC1 1790200549 JJOKPPSVFAEEIB-UHFFFAOYSA-N 498.480 5.191 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)CCC3)cc2)cc1 1790289961 GIIUIAJTXDFLRF-UHFFFAOYSA-N 470.479 5.379 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc(Br)c4F)cc3)CCC2)C1 1790629071 IFWTVYOISNQCDQ-UHFFFAOYSA-N 457.343 5.302 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc(Br)cnc34)cc2)CCC1 1790964113 MLMMAOCGPCVSFX-UHFFFAOYSA-N 491.389 5.295 30 20 JKED CCN(CC)C[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791069870 UJRGKYPHIVBNOQ-RTWAWAEBSA-N 460.622 5.039 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1791248666 BURCUAVDBMNWPP-SFHVURJKSA-N 468.557 5.783 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5c(Cl)cccc5n4)CCC3)cc2)c1 1792123503 FZURTMKDXWIFFM-SFHVURJKSA-N 497.986 5.676 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5c(Cl)cccn45)CCC3)cc2)c1 1792123930 UFWKKIJIQCJTFO-GOSISDBHSA-N 497.986 5.676 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)cc2)CCC1 1792342218 FOCDMOOOJQJFBA-TWHAJKEOSA-N 481.637 5.121 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CC3(C)CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792381532 CWCCYRLWHSMLFC-UHFFFAOYSA-N 497.680 5.760 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCc2ccc(C(F)(F)F)cc2)C3)c1 1792936614 HIZVRJQYNTWBHQ-QEIWAGNOSA-N 497.561 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(C(F)(F)F)cc3)CC1)C2 1793053845 WRRVLOSHRNQQCY-KOUNCHBCSA-N 460.540 5.144 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c1 1793224006 OPZLMAFBQKIPRE-NDBXHCKUSA-N 464.009 5.212 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cc3ccc(F)cc3)cc2)cc1 1800295503 TYRRKUQVXZIRRK-OUOZDZGXSA-N 481.571 5.048 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1803084176 OYHDEUWRIJVXSU-DENIHFKCSA-N 475.511 5.090 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(O)c3cc2OC)[C@@H]1c1cccnc1 1803089656 CKMWADFGPLMEOG-NEKDWFFYSA-N 499.611 5.037 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(Cl)ccnc4c2)C3)c1 1803683935 CIWIWFVONFLGTK-ZINXYGQCSA-N 472.976 5.081 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnc4ccc(Cl)cc4c2)C3)c1 1803684799 OFPUJBIIGSJJBW-UZPHGZDFSA-N 472.976 5.081 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1807840340 CUYNFAASPMCLFF-GEBXHLAXSA-N 494.639 5.540 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1808876928 QHZOWIPSRUXEQO-LITSAYRRSA-N 486.660 5.198 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3ccccc3CSc3ccccc3)CC2)C1 1809512218 VNKUSUGJYDJBQZ-UHFFFAOYSA-N 461.631 5.127 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)cc1 1809625366 WTXYVPKOZDVOOG-SBDHNAMRSA-N 484.644 5.074 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1810177280 CUPYSUSRGNHMRY-MPFGFTFXSA-N 479.624 5.837 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1810178610 RHKSIMCFLWKYCJ-BOCKYXSRSA-N 473.951 5.101 30 20 JKED Cc1ccccc1CCC(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810270901 BRSIUIXHUICBFX-WNJJXGMVSA-N 489.736 5.080 30 20 JKED C=C1CC(C(=O)N2CCC3(CCCN(C(=O)c4n[nH]c5cc(-c6ccccc6)ccc45)C3)CC2)C1 1810442444 MRPCTBVEPTYPPX-UHFFFAOYSA-N 468.601 5.041 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1811303526 JAMSGCHUJJVWLZ-RXFWQSSRSA-N 470.598 5.187 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1Cl 1811418246 SOCUEMVQPJIEHG-RDPSFJRHSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811459836 FEABFBFDDBISQE-MBSDFSHPSA-N 490.406 5.616 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@@H]1c1cccnc1 1812588512 NOXYQLUKUPSLIL-TXBYWVTISA-N 484.522 5.114 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1812697252 PEKPFTUCLVJRTI-SNYIIPAISA-N 467.013 5.143 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1)C(F)(F)F 1812958586 VZIDENMQSLNLTA-UKILVPOCSA-N 487.566 5.181 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813057909 JOFCDGKXSPXXHW-NVQXNPDNSA-N 499.577 6.044 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813230352 HZLKHGRBPFZKAL-SBUREZEXSA-N 492.834 5.555 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)[nH]n1 1814443200 PJSQYXSZXAIHOW-FQEVSTJZSA-N 465.623 5.626 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc(F)c3)CC2)[nH]n1 1814824541 YCXKIDATOSDWJF-JOCHJYFZSA-N 450.558 5.041 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)[nH]n1 1814829401 OZSDHSWUCHYWIG-NRFANRHFSA-N 463.607 5.402 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938108 CTSUNNGGLWZBEY-XPNTWCBSSA-N 487.044 5.068 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)cc1 1815245744 AMTVQNVGXHKDRO-LADGPHEKSA-N 479.650 5.078 30 20 JKED CCCC[C@H](CC)COC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC#N)n[nH]2)cc1 1816746485 HHICOAOCWPAPHJ-WMZHIEFXSA-N 493.608 5.002 30 20 JKED COc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)[nH]c2c1 1818582911 LBJIHASXGYPADB-CRICUBBOSA-N 496.571 5.146 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1cc2c(Cl)cccc2s1 1818775223 RTDWZLRNBYOLOE-KXQYEYADSA-N 495.992 5.296 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)cc12 1819055005 RGAOPTOFNVEBNX-DEOSSOPVSA-N 489.696 5.556 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)[nH]n1 1819305695 NSNNQPPHADRJAF-RXVVDRJESA-N 476.606 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(Cl)n2)n[nH]1 1819969753 YZFCIOGRLHWFOL-YJBOKZPZSA-N 462.381 5.186 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccccc1Oc1ccccc1 1820437242 BJFWJFOZIHRZDZ-FOBKEZNCSA-N 497.555 5.220 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(C)C)cc3)n[nH]2)c1 1820595708 TZTNXHPEMLOBEF-XMMPIXPASA-N 471.561 5.033 30 20 JKED Cc1noc(C)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n[nH]1 1821152008 ZVZVUIGEIAZGLO-RUZDIDTESA-N 493.567 5.034 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1ccccc1 1822043797 ACZZAAGHPRXTFX-HTAPYJJXSA-N 475.980 5.434 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CC(c4ccccc4)(C2)C3)n[nH]1 1823588297 JDWNGUWINPKBSO-YHHYGRTJSA-N 458.606 5.292 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603294 WTTMUJKDJNBAJA-AREMUKBSSA-N 488.632 5.479 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccc(F)c(F)c3)CC2)C1 1823700641 ZVACZAOZWCEOJD-VWLOTQADSA-N 479.571 5.226 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1823810698 ZMUGNQXVDJPGDA-MUUNZHRXSA-N 498.602 5.168 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c1 1824052641 QIOHCABIJDPGEW-HSZRJFAPSA-N 475.614 5.232 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 1824141306 YTLWQBKUFPHCLQ-JOCHJYFZSA-N 463.544 5.102 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccnc2C)CC1)c1ccccc1 1825047753 ZCNMBTXOBBRVFM-WDYNHAJCSA-N 485.672 5.140 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827683798 KQNMEGJVHZLVQQ-QQUYBBDPSA-N 486.584 5.007 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732878 PEOXLFGWJHUJJQ-HSZRJFAPSA-N 464.993 5.247 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)CC1 1829070688 LXKNLWZLNZBGBU-QFIPXVFZSA-N 491.717 5.149 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829580495 DFEPQBQBRPFVND-QHCPKHFHSA-N 493.673 5.370 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829908303 WNUKLFJNQQYTBZ-GJZUVCINSA-N 491.632 5.513 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1829936851 QXSPGDDMYUICAN-DEOSSOPVSA-N 483.534 5.053 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1830012196 AVGBQBOJFCMKQF-MHZLTWQESA-N 484.575 5.240 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2F)CC1)c1ccc(O)cc1 1830086622 ZZDCZCQIUGAEBZ-BKMJKUGQSA-N 494.582 5.101 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=N/N3CCCCC3)CC2)c1 1830169186 HVTCQDMBTHOTQF-LLJYRHCUSA-N 494.724 5.053 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830595895 OAECRBNIAGCVLA-DEOSSOPVSA-N 481.999 5.135 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(C)cc2Br)CC1 1830804583 IEPWNDPSTOLXPN-NRFANRHFSA-N 497.474 5.049 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831748674 CYTOQGITWNHDCF-MBSDFSHPSA-N 493.475 5.236 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2Cl)CC1 1831851556 KFTZBNDHJBOKJK-QFIPXVFZSA-N 498.973 5.318 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)n1 1832092584 LTTNAZRUPBGKOU-RBTNQOKQSA-N 486.660 5.192 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1cccs1 1832144666 BLBIXADWTLVUOP-JTSKRJEESA-N 470.038 5.310 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)c1 1832629388 OXTOGOBKTIIADX-KPURRNSFSA-N 483.656 5.278 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832631275 BWBQIPIWOUFTBA-AQRMJPPUSA-N 473.617 5.552 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccncc34)CC2)c1 1832634414 QZYXYNJFPXWXQL-RBTNQOKQSA-N 480.612 5.409 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)CC2)c1Cl 1832849354 IZPZYCSGTWDMGF-XMMPIXPASA-N 494.010 5.316 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2cc(Cl)ccc2c1=O 9353315 UTFBKEBOVDCCRF-UHFFFAOYSA-N 454.766 5.274 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c1 10174668 GBWKZHJMJUVUBO-UHFFFAOYSA-O 451.562 5.744 30 20 JKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(CO)c2)c(Cl)c1 10178852 ONTMNAQIYUYVRK-UHFFFAOYSA-O 468.042 5.911 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 10240436 WZFGKWGXIHSVQE-AWEZNQCLSA-N 491.842 5.517 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1 11257364 CUNDEKNHMWGLCC-UHFFFAOYSA-O 466.797 5.999 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc1 12177476 LITVZCFOTOAFCH-UHFFFAOYSA-N 498.539 5.009 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)N(CC#N)c3ccccc3)c3cnn(C(C)C)c3n2)c(C)s1 14326517 OBXDVIIZEKFKER-UHFFFAOYSA-N 487.585 5.071 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2cccs2)nc2scc(-c3ccccc3)c2c1=O 16715378 UORWDLBUFDCIRP-HNNXBMFYSA-N 467.641 5.170 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccc(F)cc1 22033680 PYCRDEBRKMDKKX-QHCPKHFHSA-N 474.561 5.751 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2CC(C)C)c1 22172103 QBZIBPAARJBVCJ-IBGZPJMESA-N 451.596 5.238 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 23604674 MWZJDXXTNPCGJI-UHFFFAOYSA-O 455.047 6.193 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 26634265 VQHIMAHOGOSAHU-IBGZPJMESA-N 475.570 5.109 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(C)c2)c1C 28793358 IQKNWUXHDFKGMW-UHFFFAOYSA-O 485.029 5.417 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)c(C)c1 32178875 ZUDWVNCORTYOIG-UHFFFAOYSA-N 452.554 5.489 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 32786944 YLHFDEYVQOIPTK-FQEVSTJZSA-N 489.626 5.179 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 71982542 RBVDSGQLVSRWOM-UHFFFAOYSA-N 490.844 5.672 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nc2sc(-c3ccccc3)cc2c1=O 79408042 HXLCVAOXFTXJDI-INIZCTEOSA-N 479.631 5.208 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)Cc2cccs2)c1 104836999 VXPUAOXRHIDTNT-UHFFFAOYSA-N 475.035 5.445 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c2Cl)cc1 107830751 YHKXAOACNNITDP-UHFFFAOYSA-N 460.887 5.278 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)o1 303018497 YXSGJSZGSOPBFN-OAQYLSRUSA-N 498.366 5.670 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 303224336 SQLNXVDGFNRIBN-UHFFFAOYSA-N 454.549 5.635 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c1 409983954 ZQPRVVTZVWVGDA-HXUWFJFHSA-N 451.526 5.684 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN1c1ncnc2sccc12 483421135 ZYCWZNKOANAPPP-QFIPXVFZSA-N 455.543 5.271 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 498366434 IAJBZWOCCYDJOJ-QHCPKHFHSA-N 487.408 5.590 30 20 JKED COc1cccc(/C=C(/CC(=O)N(C)Cc2cccc(C#N)c2)c2nc3ccccc3s2)c1 499338224 BLXJHIZFYNFQIW-HMAPJEAMSA-N 453.567 5.766 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 503096392 QENTZYHIWLLEHT-UHFFFAOYSA-N 487.669 5.054 30 20 JKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 503945724 METLCVVIWJDPFB-GOSISDBHSA-N 482.565 6.103 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 505989745 BYFKDKNHNWYLCQ-HNNXBMFYSA-N 456.955 5.706 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc(-c2c(F)cccc2F)cs1 506869926 APHBMAOZOANAPG-INIZCTEOSA-N 489.532 5.888 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 507901145 GWEXHXNFOKSQNS-UHFFFAOYSA-N 487.512 5.543 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 510656499 GHBBTUPGUXIWEI-UHFFFAOYSA-N 477.524 5.628 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510856250 DJAADQVWTVMCPO-VWLOTQADSA-N 457.530 6.045 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2n1C(F)F 510978878 BKRGYYWZMHQCOH-IBGZPJMESA-N 451.860 6.154 30 20 JKED Cc1cccc(N2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)c1C 511325892 UUJDCEJDCYDLQZ-UHFFFAOYSA-N 454.574 5.303 30 20 JKED N#Cc1cc2c(nc1SCc1nc(O)c3c(-c4ccccc4Cl)csc3n1)CCCC2 514346570 JTSMYYHXPQGFOX-UHFFFAOYSA-N 465.003 6.155 30 20 JKED CCc1cccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cn2)c1 515136930 XFEAWDYFEVHODW-UHFFFAOYSA-N 455.562 5.048 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)sc2c1CCCCCC2 515448782 GIALHXKPCGJKJC-UHFFFAOYSA-N 462.472 5.875 30 20 JKED N#C[C@H](C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc2cc(Cl)ccc2s1 515539016 CFEUZJCEEAIWHT-LJQANCHMSA-N 466.971 5.414 30 20 JKED CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 515897440 MXMCTPFFNDKENM-WZONZLPQSA-N 475.976 5.599 30 20 JKED COc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC1CCCC1 518230300 GXXKGUHYAGFMJB-UHFFFAOYSA-N 472.610 6.111 30 20 JKED CCC(CC)c1nnc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)s1 518813733 NTGITKSNHIRXDO-UHFFFAOYSA-N 465.604 5.296 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cccs2)cc1 519440609 ODGVFQVQFQOJFC-MHECFPHRSA-N 477.655 5.968 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1)c1ccccc1 519449371 BHXJZANLGVFSKO-SIKLNZKXSA-N 464.635 5.245 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)c4cn(CCC#N)nc4-c4ccc([N+](=O)[O-])cc4)CC3)c[nH]c2c1 519943060 SQWVYXHYCQHVOC-UHFFFAOYSA-N 480.528 5.091 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C 519947541 VKQLYCRUYNKVHT-NRFANRHFSA-N 486.000 6.348 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)CC2 520050571 PNUHIBFNZQNHDB-UHFFFAOYSA-N 457.530 5.738 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)c2)c1 521544543 UXXJRIQGOPIMQT-RUZDIDTESA-N 473.960 5.387 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C 522870203 QNWYQJDUXKCICD-UHFFFAOYSA-N 489.433 5.259 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(OCc2cccnc2)cc1 524381870 YMAFLUQGGABGLU-IBGZPJMESA-N 453.498 5.195 30 20 JKED C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 524385552 DSSZVFJJCGKKAB-RTBURBONSA-N 457.530 5.101 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(OCc2cscn2)c1 524389051 MQOKRFYHOMSGQO-UHFFFAOYSA-N 455.539 5.734 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 524442513 OQFVQQXVLBBIIH-RUZDIDTESA-N 469.520 5.229 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1ccccc1 524566418 TZOLBNNKWOACHK-WOJBJXKFSA-N 475.614 6.409 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 551412907 BQRFGRAWYWUWFH-UHFFFAOYSA-N 470.573 5.249 30 20 JKED COc1cc(OC)cc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2nccn2C)c1 584368084 XJIUNKMCIBDTTD-VWLOTQADSA-N 483.528 5.012 30 20 JKED CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1C(F)(F)F 590335892 WDBJONASJXBQKS-UHFFFAOYSA-N 451.386 5.459 30 20 JKED CC(=O)N(c1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cs1)c1ccc(C)cc1C 590615063 RGVBAYNGBZGULA-UHFFFAOYSA-N 473.646 5.024 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4cccc(OCc5cccc(C#N)c5)c4)CC3)c2c1C 603638905 CEAUVSHEKJLDIJ-UHFFFAOYSA-N 497.624 5.614 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1SCc1c(C)noc1C 603740177 SQHQILKILSRRAU-UHFFFAOYSA-N 470.554 6.203 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 603901783 QMNPUMDEGKXURF-INIZCTEOSA-N 490.471 5.313 30 20 JKED CCCN(Cc1ccc(OC)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604500546 RWTDLHKSFCGLSO-UHFFFAOYSA-N 453.593 5.155 30 20 JKED CCOc1cc(Br)c(NC(=O)c2occc2COc2cccc(C#N)c2)cc1OCC 608806287 FXEMXIZMMNNHPU-UHFFFAOYSA-N 485.334 5.542 30 20 JKED COc1ccc(C)cc1CN1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 609078663 GNPRKSVBECTWOY-UHFFFAOYSA-N 484.600 5.112 30 20 JKED Cc1cccc(COc2ccc(NC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c(C)c2)c1 609253984 FIISIYOWGNGYEE-UHFFFAOYSA-N 497.555 5.356 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 609428609 XHYKAEWHXGLBOX-FDDCHVKYSA-N 478.017 6.234 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)cc1 615370534 PMGSTGWAKHBFHA-QFIPXVFZSA-N 480.362 5.515 30 20 JKED O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542084 QMTFRXGWPSYUJL-TXEJJXNPSA-N 451.342 5.608 30 20 JKED C=CCOc1c(Br)cc(CNC[C@H]2CCCO[C@@H]2c2ccccc2)cc1OCC 620120429 GDCMBMIKHMWGFT-NFBKMPQASA-N 460.412 5.670 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 624581478 DMBZBTRWBKHORD-AWEZNQCLSA-N 470.476 6.171 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)nnc1-c1ccccc1OC 639429669 RHOQCBUVZTVKSK-HSZRJFAPSA-N 462.619 5.236 30 20 JKED O=C(C[C@H]1S/C(=N\CCc2ccccn2)N(CCC2=CCCCC2)C1=O)Nc1ccc(F)cc1F 726111403 KBCWHYCLMYWGQW-PCKLGSBKSA-N 498.599 5.122 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1Cl 726321197 FLHZNIXWSQDGPQ-MRXNPFEDSA-N 492.944 5.138 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nnc(-c4cc5ccccc5o4)o3)n2)cc1 726325289 MNHLUEOUCXSBJY-GOSISDBHSA-N 465.494 5.287 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 726400173 OQPZCEZYKNCBAV-UTKZUKDTSA-N 474.026 5.342 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(CCc2cccs2)C1=O 726421934 QVKJPGBIUZXCMB-HOCQLMGASA-N 499.683 5.451 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@H](C)c1cccs1 726423188 ZROOZUCEIGUHBY-WIFMXCLRSA-N 494.082 5.525 30 20 JKED CC(C)c1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc3c(c2)CCCC3)cc1 726569523 CFFVEGMZWANLFD-UHFFFAOYSA-O 472.634 5.483 30 20 JKED CC(C)Cc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1 726570228 YNMVJAFLKYEYMI-UHFFFAOYSA-O 488.677 5.977 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 726573092 ZMNYCVVJSVRIQW-UHFFFAOYSA-O 478.037 6.238 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 726754389 FHKBKDGZSFAUFB-UHFFFAOYSA-N 478.383 5.474 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 726755388 KLKXZHPKHRDROG-UHFFFAOYSA-N 471.973 5.798 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)cc1Cl 726891411 NXXOEHSJTXLZMS-NRFANRHFSA-N 498.992 5.114 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc(OC)c(Cl)c2)cc1 726961142 CJLROONFYZOVTC-UHFFFAOYSA-O 497.040 5.682 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(C)cn2)c(Br)s1 727259817 KPBJIFKBIXTQAC-UHFFFAOYSA-N 498.328 5.758 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)cs1 727267964 XKGBPQVERCSSPX-XFXZXTDPSA-N 481.549 6.434 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(SC(C)C)cc2)cs1)c1ccc(F)cc1F 728441341 HORBZPVZSPQIJS-YRNVUSSQSA-N 458.555 6.503 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 728776742 TZYVNOYYTIHXGY-IBGZPJMESA-N 493.391 5.787 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O)NC1CC1 729144158 CEEUDVVYGYWSJA-GMAHTHKFSA-N 469.557 5.106 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2scnc2C)C1=O 729144731 YQVIMOVHMYKKMI-OAQYLSRUSA-N 494.642 5.237 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 729668153 DQZJVSMLQXRCID-UHFFFAOYSA-O 499.612 5.612 30 20 JKED N#C[C@@H](C(=O)c1sc2cc(Br)ccc2c1Cl)c1nc(N)nc(Nc2ccccc2)n1 729888941 OBICLGYMFZWGPZ-ZDUSSCGKSA-N 499.781 5.318 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3cocn3)C2=O)c1 730711097 YJNFGOIMSDXDLI-XMMPIXPASA-N 484.581 5.605 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cnccn2)C(=O)N1[C@@H](c1ccccc1)C1CC1)c1cccs1 730729143 JFTZJICKDINYGS-VOYMZOAYSA-N 491.642 5.079 30 20 JKED CCOc1ccc([C@@H](CNC=C2C(=O)CC(CC)CC2=O)c2c[nH]c3ccccc23)cc1OC 730999986 HYPCDQKDSJKXOQ-BDPMCISCSA-N 460.574 5.139 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2Cl)o1 731063219 KKJPPHDVESZIGP-OAHLLOKOSA-N 454.935 5.647 30 20 JKED C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 731399802 FUWVTINSEHOXNC-SFHVURJKSA-N 464.566 5.508 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cccs2)cc1 731405922 RUAMGSBNIQHQHV-UQBPGWFLSA-N 491.682 6.185 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCOC1CCCC1 747044780 ZKAJJBGTMQLVBE-QHCPKHFHSA-N 499.608 5.144 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cscn3)C2=O)c1 747601839 IDRIGJIRDBOLGU-FQEVSTJZSA-N 468.579 5.060 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC)C1=O 799214200 HOQYMVDRLPPXSV-IBGZPJMESA-N 463.962 5.248 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 837285335 LMXJPFFQSFCLJV-CLOONOSVSA-N 480.593 5.956 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)CCc2ccco2)C1=O 837739151 AXZXJPATDCAJLG-HXOBKFHXSA-N 495.576 5.409 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)[C@H]3CCCO3)c2C#N)C(C)(C)C1 848943123 WQKRCXZZSUIRCT-LIXSYLKWSA-N 482.627 5.429 30 20 JKED COc1ccc(-c2nc(Cc3noc(-c4cccc(COc5cccc(C#N)c5)c4)n3)co2)cc1 904331933 KCGFITBFDMBYAW-UHFFFAOYSA-N 464.481 5.442 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)NC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 913099646 RUSALGFMRVYNEL-FQEVSTJZSA-N 498.391 5.472 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1 915181341 YZVKTDPFYVBQGP-AREMUKBSSA-N 495.579 6.464 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)[C@@H](C#N)c2ccccc2)n1CCc1ccccc1 916622918 RHULIYMGIUQCIR-QHCPKHFHSA-N 468.582 5.165 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@H](C#N)c3ccc4ccccc4n3)[C@@H]2c2cccs2)cc1 916849023 RJCRYZPLBMMKQB-LZCXECNNSA-N 451.551 5.575 30 20 JKED N#C[C@H](C(=O)CCc1cccc(Br)c1)C(=O)Nc1ccc(SC(F)F)cc1 916887815 RFUOTMKCKQKSRQ-MRXNPFEDSA-N 453.308 5.044 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916910645 TZQATZLGPGSTGJ-SFHVURJKSA-N 492.375 6.478 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916913316 PSOCYBWBLSJOGY-GNJLHFKMSA-N 454.370 5.647 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928927 YTDIEOZGODNDOW-AWEZNQCLSA-N 498.160 5.075 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)n2)cc1 916974142 DXZRXMHSKVDPDY-GMAHTHKFSA-N 457.599 5.464 30 20 JKED Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1C 917040614 MZGTWMZWRMZLCZ-INIZCTEOSA-N 451.502 5.203 30 20 JKED N#C[C@@H](C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1nc2cc(Cl)ccc2s1 917042726 DKTNJCSHWHXIIG-SFHVURJKSA-N 473.941 5.356 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(Oc3ccccc3)c(F)c2)cs1 917560196 IYWBDPOORLQFCK-JLHYYAGUSA-N 476.504 6.794 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)cs1 917560357 WQTGIOGSFMPYPD-WQLSENKSSA-N 483.996 6.507 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@H]1CCN2CCC[C@@H]2C1 917687835 WPKBAIKKNQUJGA-GIFXNVAJSA-N 490.673 5.145 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 917712704 GXMFKTZOLWZMTE-HOYKHHGWSA-N 490.604 6.066 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)cc1 917798891 YPISDOLDVGLVPT-UHFFFAOYSA-N 497.551 5.096 30 20 JKED CC(C)Oc1cccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 918409182 HMGJNRCXORMYIL-QHCPKHFHSA-N 461.949 5.038 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)ccc1Cl 919859472 HGUGJDDXSFDJIA-SFHVURJKSA-N 485.005 5.680 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cc(C)on2)c1 920353854 UHWVBCLQADHQBS-XMMPIXPASA-N 484.581 5.605 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2c(C)noc2C)C1=O 920355479 MXNLPLOBZQUKNT-HSZRJFAPSA-N 492.601 5.077 30 20 JKED CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805703 FRUHALDUTXZNHH-XMMUSDFNSA-N 497.611 5.622 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1C 920892886 SBQZDLWBRQRUIO-PMACEKPBSA-N 484.556 5.250 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)c1 921251684 AMBDPBMOZOCNIR-YLJYHZDGSA-N 493.551 5.231 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(F)c1 921252473 FLEOZRGABWHZFL-NRFANRHFSA-N 475.561 5.050 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(cnn4C)c3OCC)CCC2)cc1 1785842000 LELQMQCTIDIYSW-UHFFFAOYSA-N 489.620 5.107 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3coc(Cl)n3)cc2)CCC1 1787109580 BVYANZOKKCUQRL-UHFFFAOYSA-N 458.034 5.127 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5cc(Cl)ccc45)cc3)CCC2)c1 1789350678 AXLQSALTCKHAOA-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1789496200 LZWCSARTDOXVOZ-RUZDIDTESA-N 469.585 5.069 30 20 JKED CC(C)[C@H](C(=O)NC1(c2ccc(NC(=O)/C=N/N3CCCCC3)cc2)CCC1)c1ccccc1 1789514172 JYUBWRGWBPWFJG-SUSUTEKGSA-N 460.622 5.032 30 20 JKED C[C@@H]1CCc2c(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5Cl)cc4)CCC3)n[nH]c21 1790083951 QPNZXKXJZMUTIE-OAHLLOKOSA-N 473.964 5.046 30 20 JKED Cc1c(Br)ccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1 1790148315 OZXHZOYZFSUHGS-UHFFFAOYSA-N 495.352 5.158 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@@H](c3ccccc3)C(C)C)CCC2)cc1 1790510390 OIIFORZKRBBGOV-RUZDIDTESA-N 462.590 5.070 30 20 JKED COc1ccc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1790704511 ZPBQIFAWYWDOER-UHFFFAOYSA-N 453.542 5.131 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)ccn4)CCC3)cc2)cc1 1790706768 UHUJLYPGIJQSHK-UHFFFAOYSA-N 478.474 5.228 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1791296572 ZWNNLGMMCCFDQJ-HXUWFJFHSA-N 491.579 5.025 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(Br)sc4c3)CCC2)cc1 1791588852 CAGDNESPEOEZNL-UHFFFAOYSA-N 470.392 5.383 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4OCCc5ccccc54)CCC3)cc2)c1 1792123130 JZDFZEQBZOONDL-PIKZIKFNSA-N 493.607 5.765 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@H](C)C#N)c5)cc4)CCC3)cc2n1 1792123552 IHWOYCMNTVDDEZ-GOSISDBHSA-N 478.552 5.825 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)COC4CCCCC4)CCC3)cc2)cc1C#N 1792169611 SEHSNTHMQCOMRL-UHFFFAOYSA-N 489.616 5.442 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ncccc12 1799156223 PVFPQRHEMHIFIA-NUNAXRQHSA-N 482.628 5.541 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1 1799587406 HJDWSYDBTIDZCB-QDMKHBRRSA-N 488.403 5.429 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)[C@H]2c2cccnc2)C1 1802413231 LIZJJDSNWNVVFB-GPUOULLFSA-N 466.025 5.147 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1803083920 KPCHHOBKJZDBIC-NOZRDPDXSA-N 486.641 5.293 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1803084118 NHZVNDOFHNOPJF-RDGATRHJSA-N 457.574 5.224 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1803090690 IGXPKINIOKATKN-CPJSRVTESA-N 477.008 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1803091062 KYLBEWFNYOBKMT-CVDCTZTESA-N 489.513 5.328 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1803560016 JMUXSKJXZPAZMM-CLOONOSVSA-N 498.048 5.252 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccccc4C(F)(F)F)CC3)C2)cc1 1804762693 HJQFCRXIDIUMGB-UHFFFAOYSA-N 483.534 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C[C@H]3CCc4cc(OC)ccc4C3)CC2)C1 1805456538 AUVGTZDICDYJCW-QHCPKHFHSA-N 478.677 5.190 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1806205219 ZXECFPUAIHHUSA-SQHAQQRYSA-N 467.730 5.109 30 20 JKED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1806621073 MAVFDWCUWWFUDE-AYWVHJORSA-N 499.570 5.352 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1809463464 NSLVDPVCMZTUNG-ZJSXRUAMSA-N 480.052 5.465 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1810181386 HTNZMNJQTDEGPO-ZOSUSCCZSA-N 489.019 5.371 30 20 JKED Cc1cc(C)cc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810272879 SZPMAGPLLVBMQL-RPLLCQBOSA-N 475.709 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1810491387 CPAVEQSEGIDGLA-NXCFDTQHSA-N 461.650 5.520 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3scnc3c2)[C@H]1c1cccnc1 1810498729 PITNBSFIDRMUMG-REWPJTCUSA-N 462.619 5.003 30 20 JKED C[C@H](CC(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811419912 JMHNJVKRXIANAT-PSNDRKBRSA-N 487.003 5.120 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c(Cl)c1 1811850365 PUYNVTPOJULMPM-OZXSUGGESA-N 484.987 5.117 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@@H]1c1cccnc1 1812590552 KUDHYFDJUQWEAV-HLULCQHTSA-N 489.566 5.559 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1813966053 ZQKJBNHKAMEMHO-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)[nH]n1 1814828456 MTMBVFKXZSLAAO-NRFANRHFSA-N 479.531 5.310 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1815246038 FJIGOUNUYNQLLJ-SJLPKXTDSA-N 499.862 5.086 30 20 JKED Cc1ccc(C)c(OCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1815648622 CVSWWRRMHZTVME-HYBUGGRVSA-N 485.588 5.039 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n[nH]2)C1 1818164148 XBPKDCUABUWEED-FQEVSTJZSA-N 464.953 5.595 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccncc3C(F)(F)F)n[nH]2)c1 1818287149 AQWZUOFUYAAJCB-QVKFZJNVSA-N 496.493 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)ccc3c2OCO3)n[nH]1 1818602295 GFAYIEJSFWTRPX-QGZVFWFLSA-N 472.973 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)nc(C(F)(F)F)c2)[nH]n1 1819555617 PZVWOIDMCHJKHR-KRWDZBQOSA-N 493.530 5.130 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cccs3)on2)n[nH]1 1819785114 DTVXZGLHATVTLY-SFHVURJKSA-N 467.595 5.425 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CC(F)(F)F)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821151544 PEQQSENKADHGMC-JOCHJYFZSA-N 480.490 5.068 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)[nH]n2)c(Cl)c1 1821278214 PNCRTRQQHUNXRC-AVRDEDQJSA-N 493.917 5.158 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)cc(C(C)C)c2)n[nH]1 1821333857 IDTAATKPWLCVSG-IBGZPJMESA-N 459.388 5.178 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821427929 BXKPTIBMVBKERY-QFIPXVFZSA-N 463.969 5.111 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n[nH]1)C(F)(F)F 1821857648 OIOBDGZLXWWODS-GOSISDBHSA-N 480.918 5.296 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)ccc(F)c1F 1823203694 QWXWHUWNYXJQFB-HXUWFJFHSA-N 483.906 5.141 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1823751268 PBPRZEHHFOVXKS-HHHXNRCGSA-N 496.692 5.660 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1824145803 NOHQWQAALJMUSW-SANMLTNESA-N 477.649 5.347 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)CC2)c1Cl 1824645310 DIUMWBBZAVOSMS-RTWAWAEBSA-N 477.983 5.270 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1826311032 SNIHNVOAERCCLT-NSOVKSMOSA-N 471.645 5.304 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1827531045 SMTFRBWGCLLEFH-LADGPHEKSA-N 497.083 5.552 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2c1 1828124072 VZEYZVUMBLIXME-RBTNQOKQSA-N 482.628 5.651 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879862 OREVBHVTDQUYAS-MKRMIXIUSA-N 462.606 5.432 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)CC1 1828984288 MSZRFOHIEKKPBN-VPUSJEBWSA-N 465.682 5.494 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(cnn3C)c2)CC1)c1ccccc1 1829032218 KHBPUGSAKYNQRU-PXJZQJOASA-N 496.655 5.004 30 20 JKED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CCCCCC(C)(C)C)CCN2C(=O)OCc1ccccc1 1829317738 FGKDKBDRYFPCNF-GDLZYMKVSA-N 497.680 5.011 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)c1 1829955102 KYLLQFOLLOJLRX-MHZLTWQESA-N 484.575 5.240 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)CC2)c1Cl 1830089059 SHXXHBPADBHLBW-JOCHJYFZSA-N 471.935 5.037 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2F)CC1 1830686182 JSEGPXVVKOGGGV-OAQYLSRUSA-N 497.836 5.278 30 20 JKED CCc1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830754649 DTFJNGUSQLMUMX-XMMPIXPASA-N 498.549 5.082 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831209321 RSGAMQIGGBNUMS-SMCANUKXSA-N 499.699 5.283 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1831225795 OUXXWMPAHUDGKC-PZJWPPBQSA-N 464.984 5.201 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1831226490 XNADQKCFLJMDTE-AZGAKELHSA-N 490.047 5.369 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1831445912 MKFXLGXHNWJWAI-LJQANCHMSA-N 464.553 5.485 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1)C(F)(F)F 1831453880 PLQMTDQZTNAKHT-KRWDZBQOSA-N 481.317 5.484 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686933 JQJREFFUPYZRFZ-HJJLBPTMSA-N 493.511 5.036 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1831860772 ZYCNITORWJSTGV-OAQYLSRUSA-N 467.437 5.590 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CCC1 1832490054 WULGOFMIGHWEOF-OAQYLSRUSA-N 490.570 5.032 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832632767 VEIQMFLJYPPXNB-SKPFHBQLSA-N 495.714 5.789 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705232 PAUXIWVFFIFEER-PMACEKPBSA-N 474.564 5.032 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1832747533 NLTXEYKIFJPPTE-QFIPXVFZSA-N 489.607 5.116 30 20 JKED C=C1CC(C(=O)N2CCCC23CN(C(=O)[C@@H](c2ccc(OCc4ccccc4)cc2)C(C)C)C3)C1 1841020119 QUQFVTKFQPATKS-HHHXNRCGSA-N 472.629 5.175 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Br)cc(Cl)c3[nH]1)C2 1841058177 OAGRIWFJGZBFQW-UHFFFAOYSA-N 492.845 5.393 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(-c4ccccc4)cc13)C2 1844356801 RKDUFAGDSIQMPT-UHFFFAOYSA-N 456.590 5.039 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4c(ccc5ncccc54)s2)C3)c1Cl 1844735714 XUHZJGPONPUBLV-UHFFFAOYSA-N 486.984 5.105 30 20 JKED C=CCn1c(SCC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccc(Cl)cc1 9414491 GSRBWEWYAAOBPG-UHFFFAOYSA-N 495.988 5.343 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1 10172511 VLLXHFZELQCLEV-UHFFFAOYSA-O 451.615 6.233 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl 10230920 MFVHLJFPGVGDDB-UHFFFAOYSA-N 482.324 5.216 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc3c(c2)CCCC3)cc1 10827174 JEELXGVZODSYLF-UHFFFAOYSA-O 464.054 6.681 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccc(C(C)C)cc1 11262848 JMMHEPJOYVSQTQ-UHFFFAOYSA-O 482.467 6.473 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)n2)cc1 12262162 OZROHSCDERAKNL-UHFFFAOYSA-N 484.503 5.191 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 18436857 KTJQIEXYVHXEAV-AWEZNQCLSA-N 491.400 5.100 30 20 JKED Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 18765081 CERPHFZNWQLDDG-UHFFFAOYSA-N 451.573 5.116 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(OC)cc1 21182113 KBUGWKIGMXOHPS-CQSZACIVSA-N 473.396 5.022 30 20 JKED N#CCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1)c1ccccc1 23423425 GNTUDIYNEPQNRY-UHFFFAOYSA-N 466.994 5.204 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1Sc1ccccc1C#N 26319635 VFNFLGPFAGZDOC-UHFFFAOYSA-N 452.583 5.501 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 26982406 GZRMCWWPQZYFKG-LJQANCHMSA-N 484.629 5.806 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28648939 JCEJETSPCQEYLE-UHFFFAOYSA-O 482.025 5.747 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2ccccc2CC)n1 32787118 VUTMFQIPTVAZTI-UHFFFAOYSA-N 489.670 6.051 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 72012143 AZAOSXLGLPKWGU-UHFFFAOYSA-N 463.553 5.382 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 78665390 VPWNPAIZAIDAKW-KRWDZBQOSA-N 483.622 6.161 30 20 JKED CC(C)c1ccc(CSc2nnc(SCC(=O)N(C)C3(C#N)CCCCC3)s2)cc1 104595023 OQGNOTGNTHPZQB-UHFFFAOYSA-N 460.694 5.731 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3)o2)n(Cc2ccco2)c1C 115424388 AIGXPUJDVWGMDI-UHFFFAOYSA-N 481.965 5.442 30 20 JKED CC(C)(CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 195682923 GJCPFNSGKPZMKH-UHFFFAOYSA-N 478.017 5.650 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1F 216103811 WFHOCOJWVOCQMF-ZDUSSCGKSA-N 461.360 5.152 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)N1CCc2sccc2C1 303126389 BDMMNVOZVBTKEF-IBGZPJMESA-N 460.603 5.076 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccco3)cc2Cl)c1 303229449 XJPUMEMSNUXRKE-XMMPIXPASA-N 499.954 5.363 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 409538208 PCOYBAACVQJBBZ-UHFFFAOYSA-N 491.401 5.043 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)c2C#N)C1 487383788 DGWGTHKRWAUHDM-CYBMUJFWSA-N 484.672 5.722 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 494168597 APGJESQXJVXRLK-XSFVSMFZSA-N 491.547 5.871 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 501168012 ZHQDJDTWRSUUFY-MHZLTWQESA-N 455.533 5.075 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)c2)cc1 501421416 JXSJGTOSOLKMGY-UHFFFAOYSA-N 473.985 6.290 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCC(C(=O)Nc5cccc(C#N)c5)CC4)cc3)o2)c1 501710254 AWGLGQTYEHMMIP-UHFFFAOYSA-N 491.551 5.075 30 20 JKED O=C(Nc1ccc(F)cc1Cl)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503087295 KLSIYZBNAIWMBC-UHFFFAOYSA-N 487.162 6.003 30 20 JKED C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 506294834 LIBKNHHUKMSNTH-QFQXNSOFSA-N 454.574 5.289 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 506364597 RSNFGSBEEWZOIO-UHFFFAOYSA-N 483.593 5.542 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 508549847 GQWWBLHJVJNAGY-SFHVURJKSA-N 450.608 5.180 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(F)c1 510010268 PKQAKZMRVARSBP-ISKFKSNPSA-N 473.939 5.779 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(COc4ccccc4)CC3)c2)c1 510635420 ZIARAQMSGKEMSG-UHFFFAOYSA-N 454.530 5.133 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1(c2ccccc2C)CCOCC1 510875146 VOASOPGDLXOKOF-UHFFFAOYSA-N 455.558 5.837 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 512487240 SDNJUZXWJULAQK-SFHVURJKSA-N 450.583 6.058 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSCC(=O)Nc3ccc(F)cc3)cc2Cl)cc1 516006422 KCRWXZXGQNDYKG-UHFFFAOYSA-N 469.925 5.453 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 516528261 LADSGLLKWZYNHT-UHFFFAOYSA-N 483.959 5.578 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 517461686 LNVRJHSSRQQMIW-UHFFFAOYSA-N 493.385 5.813 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1SCCC#N 518120981 XFQNYSDOEMRERE-HNNXBMFYSA-N 458.008 6.261 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1 518476389 KIIRGXLMTXDRAN-UHFFFAOYSA-N 462.981 5.268 30 20 JKED CCCCCn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2ccccc2c1=O 518668827 OKDCHZXHLAYHBL-UHFFFAOYSA-N 488.535 5.864 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2sccc2Br)cs1)c1ccccc1 518725618 JSXXUQIYHQTXBD-UHFFFAOYSA-N 489.420 5.300 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(OC)cc1 519877930 DBTDENVSVAQCKM-UHFFFAOYSA-N 475.932 5.166 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 520814453 BIKIDOHSQMYSGL-IBGZPJMESA-N 492.674 5.383 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cnn1-c1cccc(C(F)(F)F)c1 521734422 NYYLBDPEBXBAKE-UHFFFAOYSA-N 498.452 6.476 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)CCOCC1 521808631 KQZPHOZQJWSPCH-LJQANCHMSA-N 453.608 5.268 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@@H](Cc3cccc(F)c3)c3cccc(F)c3)CC2)cc1 521977576 BEBWALQDACBKLN-MHZLTWQESA-N 474.555 5.038 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1C#N 523275514 AHPVZUVLXZMPHV-MRXNPFEDSA-N 479.993 5.276 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1Cl 523378903 UJPUUROILYUTHU-NRFANRHFSA-N 487.968 6.029 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 524279065 RJCCCJVPAVWDGJ-LBPRGKRZSA-N 453.354 5.528 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 524389423 GDRLUKXBLRVALN-HXUWFJFHSA-N 453.951 5.058 30 20 JKED CC[C@@](C)(C#N)NC(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 563900281 MODYPMXMKXTABP-QHCPKHFHSA-N 476.046 5.225 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)n1 602021311 XSTUZQUMGLZPCE-OAQYLSRUSA-N 473.545 5.608 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 603511319 STKSYERFHAJNGV-UHFFFAOYSA-N 457.537 5.290 30 20 JKED CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)nnc1-c1ccc(Cl)cc1 603527651 TXOZNQZFTQGYIL-UHFFFAOYSA-N 453.999 5.019 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604085005 RZEJRERJSUZRGB-UHFFFAOYSA-N 478.430 6.063 30 20 JKED COc1ccccc1CC1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CC1 608821141 ORXYNFHKSMRSDM-UHFFFAOYSA-N 499.636 5.393 30 20 JKED Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N[C@H](C#N)CC(C)C)n1C1CCCCC1 608822210 BKMFZLKHZBZVLS-IBGZPJMESA-N 490.073 5.471 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 608916191 OCFQEMRPRJPMJK-UHFFFAOYSA-N 492.938 5.441 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)c1 609064059 RSUBJJIGQXICMV-UHFFFAOYSA-N 493.523 5.112 30 20 JKED C[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609086908 HZAKREJJKHLYOM-MRXNPFEDSA-N 465.912 5.088 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609164815 WVQFJNFULNHJRS-ILBGXUMGSA-N 492.044 5.794 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 609255125 IVIBRKGAPISABN-UHFFFAOYSA-N 497.382 5.393 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(Cc2ccccc2)n1 609388687 CIHUANLUCJXHRD-QGZVFWFLSA-N 453.658 5.858 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)c(F)c2)nnc1-c1ccc(Cl)cc1 614727429 BNPSBJQTEUKQFP-UHFFFAOYSA-N 468.888 5.256 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cc3ccccc3o2)cc1 726412912 UZPMXTIWPQHKPO-HSZRJFAPSA-N 477.586 5.020 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(C[C@@H](C)c2c(Cl)cccc2Cl)C1=O 726414043 YRCWWPPHQLOXKS-KZULUSFZSA-N 498.407 5.012 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CC3CCC3)C2=O)cc1 726422026 UFDYHTOBWICXTR-QQDOTYKZSA-N 469.632 5.141 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726756011 SYNZQVJBIACMNJ-UHFFFAOYSA-N 452.461 5.578 30 20 JKED Cc1sc2ncn(N=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)c(=O)c2c1C 727059033 JIDBGSKMHGWPBX-UHFFFAOYSA-N 458.370 5.843 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)c1 727325903 FVWXXZQETGXLRC-UHFFFAOYSA-N 466.493 5.017 30 20 JKED Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Cl)c1 728297243 FOLOXUASDIDLCZ-KRWDZBQOSA-N 451.929 5.986 30 20 JKED CN(C[C@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1)C(=O)OC(C)(C)C 728736455 FWDJLJZHKRJELF-JOCHJYFZSA-N 492.620 5.442 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1Cl 728778082 PYGJCGNCPQNOPU-HSZRJFAPSA-N 491.016 6.147 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CCCCC#N)c1cccs1 728778791 UUORZQNJAVWVNC-XBPHMGBKSA-N 493.029 5.624 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)cc1 729631872 MFKBFWDEJJYZEW-HRQGHCQOSA-N 478.643 5.350 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3c2CCC3)c(F)c1 730688189 TVFWJSOCAGWWKD-OAHLLOKOSA-N 471.319 5.077 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1F 730690858 YKNCFODSOSSJJP-ZDUSSCGKSA-N 479.455 6.291 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCOC1CCCC1 731311123 WXFSWLHTYNWSEE-HSZRJFAPSA-N 481.618 5.010 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)c1 743524063 FVATYNZMCKJBTF-HXUWFJFHSA-N 455.486 5.027 30 20 JKED NC(=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccnc1Oc1ccccc1 749250682 RWSRPGLETHOYRU-UHFFFAOYSA-N 456.289 5.068 30 20 JKED CC[C@@H](C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccc(C(C)(C)C)cc1 749889829 MRSREMULBCHEES-GOSISDBHSA-O 468.687 5.667 30 20 JKED CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCCCC1 750693887 HZNVHXBCMPLREA-UHFFFAOYSA-N 492.620 5.681 30 20 JKED COc1cc(C#N)ccc1OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 751055008 MEACFHBWGNGZOT-XWGVYQGASA-N 454.526 5.099 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)cc1 799220205 BFFWDADXAZGUIU-KRWDZBQOSA-N 471.451 5.050 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2Cl)cn1 837711530 KFPXJYKRZRUCAU-HXUWFJFHSA-N 498.967 5.043 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 877084971 ILIALWJRCHKEEN-WIOPSUGQSA-N 488.613 5.487 30 20 JKED Cn1c(S)nc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc2c1=O 915103387 VAFMMERQTREVOR-CQSZACIVSA-N 487.393 5.143 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 915860112 JHIWSTNLMQVXCY-UHFFFAOYSA-N 474.517 5.030 30 20 JKED N#Cc1cccc(COc2cccc(C=Nn3c(S)nnc3-c3ccc(OC(F)F)cc3)c2)c1 915949815 RMBHKDBXJMXNCJ-UHFFFAOYSA-N 477.496 5.168 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cc(C)c(OCc2ccccn2)c(C)c1 915954539 YQVNOPZEQZCWGX-UHFFFAOYSA-N 459.575 5.106 30 20 JKED O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCOCC2)c(F)c1 916128989 NTPIOUZPSRTNMJ-FLIBITNWSA-N 464.924 5.464 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(CCOC)C1=O 916207077 XRVCYGRNCVKAOI-OAQYLSRUSA-N 490.025 5.044 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 916210892 ICLIVVBRKRRBPF-KRWDZBQOSA-N 484.380 5.129 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCOC)cc1 916214114 KNTGAXZGQSANPW-HXUWFJFHSA-N 493.551 5.265 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1 916217406 MLEWBVUAIOTSED-SFHVURJKSA-N 461.509 5.445 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 916310762 IPRBRIKOMWHHDN-UHFFFAOYSA-N 490.928 6.137 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)c2)cc1 916449349 DRCNVIKJXSKYAX-UHFFFAOYSA-N 453.542 5.096 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916720274 LZCZKRMJRXILKD-PCGXCULLSA-N 482.606 5.251 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916908379 PNAFVNGFOCKQQE-SGQUHAKNSA-N 482.424 6.210 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 916977706 XAIXOHBHMWOEQD-GOSISDBHSA-N 470.406 6.659 30 20 JKED N#C[C@@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042052 AZETZOBOHDAWTJ-PZJWPPBQSA-N 493.510 5.533 30 20 JKED C=CCn1c(SCC[S@@](=O)c2cc(Cl)ccc2Cl)nnc1[C@H]1COc2ccccc2O1 917176525 ZPQQMNGAOPSFTD-WTPASJBYSA-N 496.441 5.183 30 20 JKED CCOc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3CC)=C2C)cc1 917377190 AZKMVUDJMNLIRC-MHZLTWQESA-N 496.636 5.868 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1SCc1csc(C)n1 917505917 RUSWSHRZBQFMEQ-SFHVURJKSA-N 481.599 5.071 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)cc1C 917661109 ZNYCROORSHZNOR-VWLOTQADSA-N 490.673 5.138 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)cc1 917683149 SUXZOTUPXPBALD-DNVJHFABSA-N 497.064 5.236 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1F 917697361 YTFMLBHFQJHTDM-LJQANCHMSA-N 493.507 5.465 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 919667529 XTYGYPTWTHZQRC-UGKGYDQZSA-N 494.016 5.347 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2C)no1 920353651 OTVOHCDFNCEWDV-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1C 920894059 KEHUHMMBNPDWMP-MHZLTWQESA-N 498.608 5.205 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)C1 1780015656 GNIHPUJNNIRINA-KMRXNPHXSA-N 489.641 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)C1 1781457619 DOEXBVWUDZYTDG-VAVYLYDRSA-N 496.598 5.321 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1786102735 XXBVNXCVIQTCTD-AGILITTLSA-N 493.648 5.287 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(F)c3)cc2)CCC1)C(F)(F)F 1786327616 UBLDLSWDHMJSLZ-UHFFFAOYSA-N 470.850 5.111 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(Br)cc34)CCC2)cc1 1786370567 DCUDEILZNDCLHO-INIZCTEOSA-N 496.405 5.269 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4=CCCS4)cc3)CCC2)ccc1Br 1786413618 HHLMATRIYRLVIW-UHFFFAOYSA-N 482.403 5.089 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3=CCCS3)cc2)CCC1)c1ccc(O)cc1 1786415557 QRKQMQFCAHNHCH-FQEVSTJZSA-N 460.599 5.044 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)noc3C)CCC2)cc1 1786677220 KLOFVSPAODHULM-UHFFFAOYSA-N 461.587 5.317 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)s1 1787332924 JQCRPDYCPSVXOQ-UHFFFAOYSA-N 458.587 5.012 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)CCc5cccc(C#N)c5)CCC4)cc3)cc2n1 1788321097 OLACOHCWUDJJIH-UHFFFAOYSA-N 478.552 5.388 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1 1788507913 XSWUYFALZYFQQO-JOCHJYFZSA-N 485.053 5.252 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1788672887 BIUYKPRFDZITLF-UHFFFAOYSA-N 476.536 5.583 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H](C)CCN3C(=O)OCc3ccccc3)cc2)CCC1 1789165439 AIJPUMWCPBBASW-PXDATVDWSA-N 489.616 5.134 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)c1 1790710732 NHCQGEYCMAXOII-UHFFFAOYSA-N 492.535 5.283 30 20 JKED Cc1nc2ccncc2cc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790763751 LYNKQVSODBIHAA-UHFFFAOYSA-N 479.515 5.011 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CC3CC4(C3)CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791254776 XXVZRBVVTHPMEF-HXUWFJFHSA-N 495.664 5.370 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)CCC2)cc1 1791587666 CHGLKUBYUKSMAG-GMAHTHKFSA-N 489.616 5.134 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(C)C)C(C)C)CCC2)cc1)c1ccc(O)cc1 1791641959 LIANGUZBUSOHMY-FIPFOOKPSA-N 489.660 5.046 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1)c1ccc(O)cc1 1791644043 CVQMCMMYESZPEV-SFTDATJTSA-N 480.555 5.459 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)(F)F)c4)CCC3)cc2)c1 1792122912 VAQCYSWSBFEMQL-QGZVFWFLSA-N 492.501 5.789 30 20 JKED C[C@@H](CC(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1)c1ccccc1 1792240245 OLTAEJRUENKACC-NRFANRHFSA-N 467.569 5.265 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c3ccccc13)C2 1798334600 FFZJHZSKKUYBDY-IYWMVGAKSA-N 481.434 5.623 30 20 JKED N#Cc1cccc(CCC(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 1802954276 NMMNLQIEGAFCMN-VIZCGCQYSA-N 488.591 5.059 30 20 JKED Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc([C@@H](C)C#N)c3)c[nH]2)cc1 1803673942 YNJXCTHVQFLBLT-XSGUUIGASA-N 466.585 5.183 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1804176791 VOWUNQVUOPRGQU-JTSKRJEESA-N 486.062 5.189 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807845543 JWQDGTYUHXNRGI-LSYYVWMOSA-N 496.655 5.764 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1808462906 ZZFQKXFYGWHBLA-ZCYQVOJMSA-N 486.616 5.357 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1808900341 DDLWIOKMQDAWNG-BKMJKUGQSA-N 493.051 5.533 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 1808973898 GGUWLPVMTOUWEH-PDDLMNHVSA-N 488.591 5.059 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809209886 PEJVABJLYDFQCG-GBXCKJPGSA-N 494.060 6.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)[C@H]1c1cccnc1 1810175601 MBVPQYZOJZGLER-CYXNTTPDSA-N 459.634 5.125 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1810271770 JXDXCRXEBXYYMI-BWKNWUBXSA-N 482.100 5.106 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)ccc4F)CC3)C2)cc1 1810350622 BCFRXMNTZXQQGR-UHFFFAOYSA-N 496.586 5.226 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)no3)C2)CC1 1810375738 PLCKDSBBCSKKQC-QFIPXVFZSA-N 482.024 5.608 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(F)c(F)c3)C2)CC1 1810386930 QPUJVXVDBSWUDZ-UHFFFAOYSA-N 489.513 5.083 30 20 JKED O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811252784 XOOKJMHRYBSCOA-XLJNKUFUSA-N 499.614 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccnc1 1812019485 CXAXIFHLXURSPE-ZCYQVOJMSA-N 463.622 5.182 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1812589516 GETMBLXZCYCYQQ-TWRBBEJXSA-N 477.608 5.013 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1812673411 TWZJWHGTQKJJFH-UKILVPOCSA-N 492.570 5.020 30 20 JKED Cc1ccc(C)c(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1813773153 NQQSCRPESOAWDP-RPLLCQBOSA-N 475.709 5.069 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1813937271 DEHJDBMUWUEHBM-JPYJTQIMSA-N 473.951 5.101 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@H]1c1cccnc1 1813990327 HRLCJMVPMMLQAD-POURPWNDSA-N 497.614 5.325 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](CC=C)NC(=O)OC(C)(C)C)[nH]n1 1814831216 VFIMWEHYEVYIIP-RBBKRZOGSA-N 499.656 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3cc(OC)ccc23)n[nH]1 1814917699 YPCIRHOYANMSTJ-QHCPKHFHSA-N 477.609 5.127 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(C(C)=O)cc2)n[nH]1 1814959386 BTYHSDZXJQNTEW-ZCYQVOJMSA-N 492.620 5.232 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc3ncccc3c2)n[nH]1 1815475209 ZTYWOCLXSQLWLL-QHCPKHFHSA-N 459.594 5.185 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)CC3)n[nH]1 1817941313 UYSJXJMGLCSZOM-UWJYYQICSA-N 450.583 5.031 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cn(C)cc3C(F)(F)F)n[nH]2)c1 1818346891 KSEMMUFPLKEWFR-BTYIYWSLSA-N 498.509 5.014 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c3ccccc23)n[nH]1 1818984022 OJJJVCIIUFLRJY-FQEVSTJZSA-N 467.367 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cncc(C(F)(F)F)c3)n[nH]2)c1 1819930916 ZFWWXKRBFOSICW-BTYIYWSLSA-N 496.493 5.070 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)ccc1F 1820914653 ASSGTMWHRBGOED-VWLOTQADSA-N 481.531 5.122 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)[nH]n3)sc2c1 1821525448 WRDHKQVMKXRQAC-QFIPXVFZSA-N 483.597 5.353 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(Br)c2F)[nH]n1 1821917566 WZVPVBMFLHGBTP-KXBFYZLASA-N 491.405 5.148 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1C 1823216744 NLKNEGZXHUVVRB-NTKDMRAZSA-N 485.588 5.282 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)[nH]n2)c1 1823218702 UTFURQOEKWGINR-OPAMFIHVSA-N 461.953 5.310 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc4occ(Cl)c4c2)CC3)cc1 1823495784 UKCUPKXEWBSCBZ-QGZVFWFLSA-N 490.972 5.148 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1823647079 ONBSRQJQDMAOAW-QFIPXVFZSA-N 488.770 5.431 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)cc1 1823684614 AOBGSKIEOSMQQH-MUUNZHRXSA-N 469.629 5.302 30 20 JKED O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824414098 ZXSJEKIWMLLDSG-NRFANRHFSA-N 466.931 5.006 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1824499780 NBDGIBLTHLEWOC-HHHXNRCGSA-N 489.660 5.273 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1824538676 RSFFTMCHNHKOFR-UZLBHIALSA-N 450.695 5.151 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1824830561 PDIWORKRCQPFTO-XPPIMPSXSA-N 475.555 5.160 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1824882539 VIDLZRYWQBQZCG-RUZDIDTESA-N 481.999 5.135 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CC2)CC1)c1ccc(Cl)cc1 1826685673 YOQRPEABAPEKHJ-XZOQPEGZSA-N 456.030 5.003 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166062 HCTHXJRFWJBCJY-PXNSSMCTSA-N 490.069 5.589 30 20 JKED CN(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c2ccccc12 1828168655 GPXWUCLJOJTJSU-MUUNZHRXSA-N 494.639 5.325 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Br)cc4cc[nH]c34)CC2)C1 1828168808 AHNQUVLVMYNJRQ-QFIPXVFZSA-N 484.438 5.130 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1828344296 OMBAWULIZVURHG-AMGIVPHBSA-N 489.685 5.648 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829009435 NAUGXCONCZMWDG-XPGGBCAFSA-N 480.008 5.450 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1829521125 SAYWQEIMHLQJNV-LJAQVGFWSA-N 492.623 5.362 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1)c1ccc(Cl)cc1 1829780066 NZMAHAFDEJKSFM-JWQCQUIFSA-N 481.040 5.213 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c4ccccc4n4ccsc34)CC2)c1 1829955941 YTTRIGKRYYNLBA-DEOSSOPVSA-N 496.636 5.573 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ncccc34)CC2)c(Cl)c1 1830721714 MRLMSANYIRDKRM-SANMLTNESA-N 487.003 5.307 30 20 JKED C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)Oc1ccccc1 1830722948 ADAYAHQIJJAIQP-FQRUVTKNSA-N 494.035 5.303 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1831925606 CJYSYMIANNBBEC-STROYTFGSA-N 476.661 5.255 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cscc2C)CC1)c1ccc(O)cc1 1831926060 VEVQOHUQDNSYQQ-BVAGGSTKSA-N 478.658 5.193 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)CC2)c1 1832632206 MOTATKWCMDBPGN-ICCDPGHHSA-N 499.680 5.435 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699932 RLRQETDQUSFCDR-KAYWLYCHSA-N 474.645 5.160 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832715608 ZVPAQFQHPMWTLV-OAQYLSRUSA-N 453.385 5.169 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cc3c[nH]c4ccc(C)cc34)CC2)CC1 1837125464 GYQAJFACSMNWEA-UHFFFAOYSA-N 479.665 5.010 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)c1 1847471935 DULHZXDSNVMMTH-HPUNYJORSA-N 499.561 5.204 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c1C 10170665 MXFKRMRVSFCSLI-UHFFFAOYSA-O 464.611 5.054 30 20 JKED Cc1ccccc1-c1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c2cnn(C(C)C)c2n1 10278426 YQSYHYQHTOSUGN-HHHXNRCGSA-N 478.600 5.010 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 14827594 RSCJIYQRPRYKFQ-UHFFFAOYSA-N 477.611 5.136 30 20 JKED C=CCN(CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1)Cc1ccc(Cl)s1 15292959 FICWZTZUCIONTB-UHFFFAOYSA-N 477.417 5.284 30 20 JKED O=C(C[C@H]1S/C(=N/c2ccccc2C(F)(F)F)NC1=O)Nc1cccc(Cl)c1Cl 21132305 CGCPJHCYGSBEMT-CYBMUJFWSA-N 462.280 5.260 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccc(F)cc1 21338205 JXTMZDAVWFVAAL-UHFFFAOYSA-N 480.565 5.433 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 21695738 HYHIECQFJOYCCP-QGZVFWFLSA-N 485.371 5.039 30 20 JKED CC(C)n1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2cc(Cl)ccc2c1=O 23585625 IFVIDRDVDOVRHH-GFCCVEGCSA-N 473.023 5.172 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CC1 23610463 HJNRPZVAEXWYEA-SGKRCEGKSA-N 498.052 5.651 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(OC)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 24314108 JSPSEZHLTWFURN-CYBMUJFWSA-N 495.407 5.555 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2cccc(C)c2)c1C 28695825 RQXUWWBQJLYDOM-UHFFFAOYSA-O 464.611 5.072 30 20 JKED Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)sc2nc3n(c(=O)c12)CCCCC3 31776950 BAWXXJXCQYMZJW-UHFFFAOYSA-N 484.581 5.196 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)nnc1C1CC1 36858278 TWJVXEQLRYSLHD-UHFFFAOYSA-N 480.653 5.570 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(Cn4cccn4)c3)cc2Cl)c1 303167792 IRWKTBHWQKVIKF-UHFFFAOYSA-N 471.948 5.357 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](c3ccccc3)c3cc4ccccc4o3)CC2)c1 409477879 YNTGVWWTIVSSBL-MHZLTWQESA-N 478.552 5.454 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 409507461 NXCIXJFGJLVQFG-HNNXBMFYSA-N 474.374 5.396 30 20 JKED C[C@H](NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(C(F)(F)F)cc1 410156169 QQGSDAJNMCREHR-LBPRGKRZSA-N 452.370 6.005 30 20 JKED O=C(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)c1cc(F)c(F)c(F)c1 483496145 OKKRWOYIIGCNGX-UHFFFAOYSA-N 466.334 5.683 30 20 JKED COc1ccccc1N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 495125813 CWIBJRCLTCJPIS-HSZRJFAPSA-N 474.992 5.795 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2OC(C)C)c1 499845356 XZHQSYUUQAJNPG-UHFFFAOYSA-N 485.993 5.156 30 20 JKED CSc1ccc(N2C[C@H](C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2=O)cc1 501449026 XTZXBFDKLLJCBZ-OAQYLSRUSA-N 471.582 5.045 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)c(C(F)(F)F)c1 503428911 PJJFSDPHFCKPGO-UHFFFAOYSA-N 498.280 5.328 30 20 JKED Cc1ccccc1C(C)(C)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 505431537 VUQYZKYHTACCOP-UHFFFAOYSA-N 457.599 5.305 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513211174 VUSMWEHJSZLJHY-INIZCTEOSA-N 460.868 5.953 30 20 JKED COC[C@H](C)n1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnc1-c1ccccc1 513737575 FBSLUBBVAPWWTP-IBGZPJMESA-N 499.596 5.547 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1cccnc1 514960448 LGNPEKDAGAWXSC-GOSISDBHSA-N 457.559 5.438 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc2ccccc2n1C(F)F 515540199 JOMDZWZQSCKYIR-MRXNPFEDSA-N 472.373 6.128 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2ccc(Br)s2)cc1 515655140 KQJUQVGLEIPEJQ-UHFFFAOYSA-N 469.404 6.117 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(Br)s3)cc2Cl)cc1 515882451 OSNKZPPLZFNFRV-UHFFFAOYSA-N 490.766 5.083 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 518172021 LHGSGHNUXHUYJC-UHFFFAOYSA-N 452.543 5.066 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN(C(=O)c2ccccc2F)CC1 519002805 BBJHUWBIWMWJEL-UHFFFAOYSA-N 477.380 5.243 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 520138796 BNILNKQEEMLULE-UHFFFAOYSA-N 466.335 5.025 30 20 JKED COc1cc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OCC(C)C 520470787 FGOVCHZEPNUKKE-NRFANRHFSA-N 474.605 5.615 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 521191812 ZEOXXYVQKHMBJX-INIZCTEOSA-N 473.916 5.908 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2c(Br)cccc2C1 522226543 UAIKHUXHWAWTBZ-UHFFFAOYSA-N 462.347 6.012 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 522517939 VGYZALWYYMDBPA-UHFFFAOYSA-N 490.156 5.057 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NC2CCC(c3ccccc3)CC2)cc1 523639936 JSVCQSAXJUOMHW-UHFFFAOYSA-N 469.541 5.140 30 20 JKED Cc1cc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)n(CCC#N)n1 523660883 FEQVWNBFEYVKPO-UHFFFAOYSA-N 452.539 5.201 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 523795556 YIBDPYZPAXBDJX-VWLOTQADSA-N 460.553 5.229 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(OC)cc1 551738822 ONTXYSDSMWDEKW-QHCPKHFHSA-N 477.948 5.005 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCN(C(=O)C2CCC2)C2CC2)cc1Cl 553665213 PHZSGKVGLZWUGO-HSZRJFAPSA-N 464.997 5.298 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c3cnn(C(C)C)c3n2)c(C)o1 590612777 HAGZFSWSJSTJCX-UHFFFAOYSA-N 459.575 5.953 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1Cl 603758698 BNAWBALXRIKKEU-HSZRJFAPSA-N 473.960 5.678 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1-c1ccc(C(F)(F)F)cn1 603764043 BHUFPUOECQSQGG-UHFFFAOYSA-N 492.461 5.721 30 20 JKED C=CCN(C(=O)c1oc2ccccc2c1CSC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 603926806 DYDKCULDBWIMRJ-UHFFFAOYSA-N 498.651 5.656 30 20 JKED Cc1ccc(S(=O)(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Br)c1 603975558 ANILHQZXPDYOAB-UHFFFAOYSA-N 457.349 5.009 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)cc2)cc1 608841065 LJCNNPVKIRKTDO-HXUWFJFHSA-N 483.503 5.951 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCc4c(Br)cccc43)s2)cc1 609047013 OWZKKUAKWDUXIT-QGZVFWFLSA-N 486.420 5.274 30 20 JKED N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)CC2)cc1 609147675 WDYREZFRGNLONV-UHFFFAOYSA-N 472.467 5.001 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 609382824 UHATZHRENSLZEM-INIZCTEOSA-N 469.563 5.131 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CC2)c(C)c1 613086146 UXSYJMMJATULOL-UHFFFAOYSA-N 491.642 5.446 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)n2)cc1 613314687 SPTHKRNCYMVRFZ-FQEVSTJZSA-N 485.540 5.765 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)c(C)c1 642671647 ASQPECUIASSCDM-UHFFFAOYSA-N 454.530 5.489 30 20 JKED COc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3cccc(Br)c3)o2)cc1 725796852 YZLCYQMRSROEJE-UHFFFAOYSA-N 485.363 5.059 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N\[C@@H](C)c1ccc(Cl)cc1Cl 726396069 IDXXFKOVFKWMBY-NSHBJNHMSA-N 490.412 5.025 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)c(F)c1 726409430 AQQHKCNDWZYMFX-KRWDZBQOSA-N 484.380 5.511 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2cccs2)cc1F 726409714 CIOWMAUIGNPEGD-NRFANRHFSA-N 483.590 5.099 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cnc3ccccc3n2)cs1 727257409 LZKCUXWEGQOSIH-UHFFFAOYSA-N 456.453 5.236 30 20 JKED COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)NCc3ccc(OCC#N)cc3)cc2c1 727676028 IZXPRUIJEYDTSJ-UHFFFAOYSA-N 488.547 5.533 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c(=O)oc2c1 727996157 GCVZPPWNANPAMH-UHFFFAOYSA-N 482.536 5.440 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(-c3cccs3)n2)cc1 728428283 UGHXESUSNWQPQS-UHFFFAOYSA-N 455.634 5.511 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CCCCC#N)C1=O 728776878 FURWXESSUQPVIZ-NRFANRHFSA-N 485.009 5.311 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCCCC#N)C1=O 728777303 KBPCEZOOUNNEPH-FQEVSTJZSA-N 454.983 5.303 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)SC1=Nc1ccccc1 728777814 PIQFZCDRVXKNJO-IBGZPJMESA-N 485.407 5.103 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](c2ccccc2)C2CCC2)cn1 729145179 JKGSZNONTYGOGX-ILBGXUMGSA-N 487.629 5.405 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc(Cl)c1OC 730584683 YEFURINVAPNINB-UHFFFAOYSA-N 487.796 5.396 30 20 JKED N#CCOc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c1 730964690 HTKYTBBEERDJIH-UHFFFAOYSA-N 471.773 5.032 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(N2CCCCC2)cc1 731039917 DBMPGWCLAQMMLE-QGZVFWFLSA-N 476.568 6.141 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 731061546 DRSJOIOJSJFAHC-IBGZPJMESA-N 472.566 5.273 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)cc1F 731077228 HDJZEGURDRYJBG-INIZCTEOSA-N 466.509 5.822 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1 731311332 BJIILFAMLGGVOR-QFIPXVFZSA-N 495.626 5.401 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc3cccnc23)c1 744996612 DFKGGTFBPSCWLH-QHCPKHFHSA-N 472.614 5.159 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 746695291 DTOCJRUVFPSBHS-IBGZPJMESA-N 494.444 5.770 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cscn1 747600623 BUKSBSXBWQKIBY-IBGZPJMESA-N 488.997 5.405 30 20 JKED O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1=Cc2ccc(OC(F)F)cc2CC1 747840822 ZWKHRTXNIGCCGX-STQMWFEESA-N 493.416 5.404 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 800374151 KARXWTBRLKSKNJ-HXUWFJFHSA-N 455.558 5.027 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)nc(O)c2C#N)cc1 824942084 VXHLYVCHJCVGJB-QGZVFWFLSA-N 482.565 5.516 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)cc1 837519257 ODEHKUWGYSGZRZ-HXOBKFHXSA-N 472.570 5.006 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1F 838257852 LSBMMVSSVQHJJJ-OYHNWAKOSA-N 498.530 5.529 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)C(C)(C)c2ccccc21 849204787 AUIXHGDSWWLCEM-UNOMPAQXSA-N 457.502 5.311 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(Cl)cc1 914598090 XTXPXKZDJLNDQE-ZDUSSCGKSA-N 487.994 5.293 30 20 JKED Cc1cc(Br)cc2c1NC(=O)C2=NNc1ncnc2sc(-c3ccccc3)cc12 915047790 BAUHNFMSQQHSIT-UHFFFAOYSA-N 464.348 5.198 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)C)n2)cc1 915100290 OPVYRCCJOKBWHV-GMAHTHKFSA-N 470.598 5.160 30 20 JKED N#C[C@@H](C(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1nc(-c2ccc(Cl)cc2)cs1 915101573 IQFJSRWNVFGYDX-HNNXBMFYSA-N 458.326 5.291 30 20 JKED Cc1cc(Br)ccc1SCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915107930 YHCCSSJUZZNCLW-CYBMUJFWSA-N 450.308 5.471 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 915354042 TYKOUCWYLBWZQJ-XMMPIXPASA-N 462.956 5.484 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2Cl)cc1 915656360 SXAOQVHXZDHFMO-HSZRJFAPSA-N 489.406 6.763 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccc(Br)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166735 PXVQTJCWOWYOER-IBGZPJMESA-N 494.311 5.633 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3ccccn3)C2=O)c1 916205463 JLHCHEGVTFJFMI-QHCPKHFHSA-N 493.032 5.821 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccc3)C2=O)c(OC)c1 916211537 PISYVOZZTQPUKS-QHCPKHFHSA-N 493.560 5.003 30 20 JKED C#CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)ccc1Cl 916600862 NYYIXMHCYXMPJW-UHFFFAOYSA-N 474.365 5.179 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 916900995 WEANCKSTVWOZDG-NRFANRHFSA-N 456.571 5.481 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC1CCCC1 916906988 GJIWOKIOWGRHAY-QFIPXVFZSA-N 470.525 5.770 30 20 JKED Cc1cccc(COc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)c1 916928772 TYLNCQHYOYMBOY-FQEVSTJZSA-N 453.325 5.842 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCN(c4ccccc4Br)C3=O)n2)cc1 916974825 RTEPJSQYBPMGOA-SJORKVTESA-N 480.387 5.110 30 20 JKED N#C[C@@H](C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3)c1nc2ccccc2n1C(F)F 917039942 HURDRBPZOQNXMF-ZDUSSCGKSA-N 499.568 5.130 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917043560 MYPAXZDPWWQLJG-CQSZACIVSA-N 485.350 6.187 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)c2ccccc2)n1 917254836 ZYZDFNFWOAUSAC-YLJYHZDGSA-N 459.600 5.288 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C=Nn1c(S)nnc1-c1cccc(Br)c1 917594966 ROFDSDKOQLVABN-UHFFFAOYSA-N 487.814 5.085 30 20 JKED N#Cc1cccnc1Oc1ccccc1N/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 917601160 KQISACQOGYLMOK-FXBPSFAMSA-N 492.922 6.039 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 917663886 PUJITRFIZRZTGD-GAJHUEQPSA-N 494.592 5.076 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cccc(C)n3)C2=O)cc1 917680351 BMLVSEVDTYUJBB-QFIPXVFZSA-N 479.005 5.512 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 917702541 UBWPNINZRSWHIM-RUZDIDTESA-N 491.576 5.267 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2c1C 920112694 HDVXMMSABATXCW-ZDUSSCGKSA-N 459.021 5.930 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@@H](C)c2ccc(C)s2)C1=O 920170686 NILVJQZFGJBHJQ-ZBEGNZNMSA-N 456.420 5.192 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(CC(F)(F)F)C2=O)cc1 920173353 QGIDOQFJYFWWGX-HXUWFJFHSA-N 491.535 5.097 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc2c(c1)CCC2 920175474 IGKGLYQCLFNVBJ-FQEVSTJZSA-N 473.520 5.340 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 924644844 RUCPYGRWZRYCQA-IDISGSTGSA-N 496.563 5.250 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC(F)(F)C4)CCC3)cc2)cc1 1785795075 QQQRXPCBPMSJGR-HXUWFJFHSA-N 451.517 5.060 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCCC4(F)F)CCC3)cc2)cc1 1785880571 DWIAZAYOSZMHMI-JOCHJYFZSA-N 451.517 5.060 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)c1 1786041534 ZDKHJUCXBADRPE-MHZLTWQESA-N 463.528 5.371 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786366481 KPGFIQHSOLYVNF-MPYJOUPCSA-N 487.644 5.481 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CCC2)cc1 1788029071 SSYBXYIHSSLVGD-FGCOXFRFSA-N 464.654 5.009 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(F)c(C#N)c5)CCC4)cc3)cc2n1 1788322783 NKZXDSWJOGJKLE-UHFFFAOYSA-N 482.515 5.137 30 20 JKED C#CC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccccc3Cl)cc2)CCC1 1788613324 VTFLTPOYNWODBV-QFIPXVFZSA-N 496.007 5.063 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCC1)NC(=O)OC(C)(C)C 1790216534 JBXZYXAZIQLTIL-NRFANRHFSA-N 495.595 5.433 30 20 JKED COc1cccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)[C@@H](C)ON=C(C)C)cc4)CCC3)c[nH]2)c1 1790565161 QKGNMSUYKIOMEG-LJQANCHMSA-N 488.588 5.239 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(NC(C)=O)c3)cc2)CCC1 1790746554 ZRVAZYXKSAWGFE-DEOSSOPVSA-N 459.590 5.470 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5cc(Cl)ccn45)CCC3)cc2)c1 1790794853 ACLNQURDPRZNPQ-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)cc2)CCC1 1790990193 DDIKJDQRNADSGT-UHFFFAOYSA-N 492.448 5.312 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)CCC2)cc1 1791589478 DGMZIFWEDMINRH-NHCUHLMSSA-N 453.380 5.263 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CCC2)cc1 1791589736 SNWLMSQILTYQDY-XMMPIXPASA-N 491.632 5.223 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccccc3)CCC2)cc1 1791593408 QCAYYKDQHIBTJF-QHCPKHFHSA-N 477.605 5.005 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ncc(F)cc4F)CCC3)cc2)c1 1792123341 VAQJMFWIKIPFAH-MRXNPFEDSA-N 460.484 5.048 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)c1Cl 1792379920 NRIGMSSQRJKGRT-VWLOTQADSA-N 469.919 5.705 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)oc2ccccc12 1797419104 YLPIOVCMQCSRKB-ACDBMABISA-N 481.474 5.197 30 20 JKED CC1=CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#Cc4ccccc4)cc2)C3)CC1 1797694802 JANJNRWRQJNHLY-ZZXHUEHTSA-N 452.598 5.085 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2F)[C@H]1c1cccnc1 1802712786 YIPSCOXLOALEGN-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1802856067 RQJCZPNUALJJSF-YKSBVNFPSA-N 472.004 5.115 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)[C@H]3CCCCC3(F)F)C2)CC1 1806203818 GORSFYWVYUMOSZ-OAQYLSRUSA-N 466.689 5.094 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c1Cl 1807966358 PVTUBNUBTCELNP-PGRDOPGGSA-N 490.972 5.048 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1 1808047759 OENQGEWGHYNERG-OAQYLSRUSA-N 496.611 5.436 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809441412 NAAMCRVXOHTZGP-SSKFGXFMSA-N 488.078 5.224 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)c1 1809623458 LOXWFLLEFANDRO-ALBKCDHPSA-N 488.607 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)[C@H]1c1cccnc1 1810175243 JQCLGGSKGBOTEJ-IEUSDUHPSA-N 471.645 5.368 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)[C@H]1c1cccnc1 1810274996 PXCHNCOABYMXML-HOFKKMOUSA-N 496.127 5.035 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1811420093 LBPAOMNMASXRLQ-LEQUEVMJSA-N 493.051 5.533 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1)C(F)(F)F 1811441297 GRSDZYLOUFBFIN-QPPBQGQZSA-N 497.492 5.326 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1812523113 XFIGGJNTOBUHQK-BKMJKUGQSA-N 478.036 5.056 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1813230174 GEYPQJLXOWYKGJ-HVNZXBJASA-N 481.640 5.375 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1813864351 ZUDNVXUVIREYDE-AMDXRBSFSA-N 458.606 5.021 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCCCCCCCCCC(=O)OC)[C@H]1c1cccnc1 1814223565 UTWNEKOVTBQEKC-YRLRHBCXSA-N 499.696 5.374 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)[nH]n1 1814441822 SPZICTQKEBXMLH-GOSISDBHSA-N 467.595 5.425 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)n[nH]1 1814899664 MGURMFIDQYHYEX-IBGZPJMESA-N 489.661 5.088 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1815097413 XKILVYWFRNTDLD-AOMKIAJQSA-N 494.020 5.421 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCc3ccc(C(F)(F)F)cc3)n[nH]2)C1 1815150127 HYASEDOIZHNTNK-OAQYLSRUSA-N 474.527 5.410 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1815245905 WJFNRALNIDITJG-AUSIDOKSSA-N 493.658 5.433 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1815655704 WPCJYPFCPCJQEY-FQEVSTJZSA-N 489.601 5.376 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)n[nH]1 1816179700 AGBQBOVIKMQNSN-QAPCUYQASA-N 493.942 5.134 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)n[nH]1 1816179704 AGBQBOVIKMQNSN-YJBOKZPZSA-N 493.942 5.134 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(C)ccc4[nH]3)[nH]n2)c(O)n1 1816241357 GUBVQZICWQCQOE-DEOSSOPVSA-N 498.587 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)noc2-c2ccccc2)n[nH]1 1818144783 IGJXRWRXVLIQMA-NRFANRHFSA-N 475.593 5.671 30 20 JKED CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 1818286251 CLZKRANNLHGFEH-OLZOCXBDSA-N 491.038 5.038 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3csc(-c4ccccc4)n3)n[nH]2)c1 1818362326 XTEODAXABYVHCE-QFIPXVFZSA-N 482.569 5.025 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(F)CCCCC2(F)F)n[nH]1 1818884650 BNVFRYRQFHZHEL-AVRDEDQJSA-N 452.521 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)[nH]n1 1819554434 ZCIQGHOWQYQJHL-NRFANRHFSA-N 481.000 5.305 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820202212 DJUVUIUDHAUKDV-QHCPKHFHSA-N 493.659 5.387 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccccc4)[nH]n3)n[nH]2)c1 1820278873 XBAWUJVGXMRHSS-BVZFJXPGSA-N 493.571 5.047 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)[nH]n2)c1 1820486691 CIINMELNJHGQNY-HXUWFJFHSA-N 485.441 5.059 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[nH]n2)cc1 1820549876 UOSUNELKSCXOCA-BQUSRXHISA-N 459.594 5.194 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c1 1821125732 OUZMKHKZWIZONU-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821516477 CEQINRSWNFUMNM-FQEVSTJZSA-N 451.596 5.318 30 20 JKED CCCCCc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)cc1 1822284836 FECOVVUWRDFRFF-LBYSXPAKSA-N 489.620 5.089 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1823259247 JQOQAVBPMCKOHI-HXUWFJFHSA-N 498.370 5.216 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1823698321 JWWLTGUEIQWXEZ-DQEYMECFSA-N 457.058 5.666 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](c3ccccc3)N(CC)CC)sc2C1 1824758706 KYJSQFGXSDSCJY-NFBKMPQASA-N 482.694 5.131 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1825094749 DWCDWAPANVDYOJ-RUNMITEXSA-N 484.575 5.125 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2)CC1)c1ccccc1 1825170272 VTCKCEALQFUHCW-FQLXRVMXSA-N 485.672 5.140 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827681337 IKVWMLLDWUCRHU-XHYPSFNUSA-N 492.685 5.547 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1827729900 HGMPKMZNCQKWKT-SANMLTNESA-N 491.632 5.352 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1828827181 SUPRDBJPXVUWCK-LEAFIULHSA-N 471.645 5.750 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1828827499 OGTQXOHDDIUHRL-IGKIAQTJSA-N 482.640 5.616 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1828889145 NHTDMMGNWDGSCW-RSXGOPAZSA-N 488.628 5.392 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)COC2CCCCC2)CC1)c1ccccc1 1829029654 DXFOSOYMRALZKF-IZLXSDGUSA-N 478.677 5.153 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1829493064 ZJZDUELIANYPBS-LJAQVGFWSA-N 492.623 5.096 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)cc3F)CC2)cc1C#N 1830093798 MNWHETOQXTUIGK-VWLOTQADSA-N 495.570 5.171 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1830115859 WFCRWCXJEIROAG-DFBJGRDBSA-N 494.035 5.523 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)Cc4ccc(F)c(C#N)c4)CC3)ccc2n1 1830360602 LHWWUKYRXQWZNR-NDEPHWFRSA-N 498.602 5.030 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)c1 1830534618 YIRJILKGASQGKF-QHCPKHFHSA-N 487.497 5.263 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCCCC3)CC2)ccc1Br 1830685808 ZFUIZDRBLPGGEF-QHCPKHFHSA-N 486.454 5.134 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1830780424 LMSVUBWOLJLRMR-IZZNHLLZSA-N 493.648 5.035 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831239908 NATHMWYVWVHNTH-HSZRJFAPSA-N 463.449 5.349 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1831377271 XAUYMPWQDSFVJR-CPJSRVTESA-N 473.617 5.873 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1831589780 JRYNMYFJZKNFFO-CJZRDCOESA-N 492.019 5.167 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)CC1 1831856778 JTLILCUGVCJGHH-DQEYMECFSA-N 497.680 5.147 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831926866 BLRDYJPTZNLLLS-ZYVKACNBSA-N 498.667 5.313 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831970226 LVXJNSMTFSZXMZ-VCZPOSNWSA-N 493.511 5.036 30 20 JKED Cc1ccc(C2(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C4(C#N)CC4)CC3)CCCCC2)cc1 1832025539 LJVQJPXFVVLLHK-RUZDIDTESA-N 461.650 5.120 30 20 JKED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CCCCCCCCc4ccccc4)CC3)CC2)CC1 1837793175 AQOFBOQJBXZTJM-UHFFFAOYSA-N 493.692 5.262 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)c1 1845280629 OQAMRJCPPGIWMS-VWLOTQADSA-N 489.497 5.026 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2 8629251 ATFMYGORCSPKPP-USHAGQMTSA-N 483.568 5.027 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nnc1-c1ccccc1 9447297 RCUDTPOOXQYXKZ-LJQANCHMSA-N 475.599 5.256 30 20 JKED Cc1cccc(C)c1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc2c(c1)CCCC2 11153624 YFSNEQRNZDBHOH-UHFFFAOYSA-O 457.663 6.644 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cc2)cc1 11328879 SCKOUAMNZQVSNL-UHFFFAOYSA-N 478.470 5.702 30 20 JKED C[C@](C#N)(NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)C1CC1 21609734 VNOOKRBWKGSBJO-JOCHJYFZSA-N 472.401 5.142 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccc(Br)cc1 22101176 RSSRHISYPHSVQI-IIDMSEBBSA-N 463.445 5.069 30 20 JKED C=CCn1c(SCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)nnc1-c1ccco1 32330519 GMPNFESFZUJSOP-UHFFFAOYSA-N 451.573 5.158 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 32786111 MFOPPAJXTFGUCX-UHFFFAOYSA-N 482.613 5.065 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 46798563 UERNKYZMNVDJBY-UHFFFAOYSA-N 462.590 5.046 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1nc(-c2ccccc2)cs1 105119066 PWTLGVFKBPCATK-UHFFFAOYSA-N 481.621 6.035 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)sc2nc(C(F)(F)F)ccc12 195557350 AEWHJTJZGMZBME-NSHDSACASA-N 450.392 5.858 30 20 JKED C=CCn1c(SCc2ccc(OC)c(OC)c2Br)nnc1-c1ccccc1F 195691199 CRMYHFDUZQQDIQ-UHFFFAOYSA-N 464.360 5.342 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 255935834 YVQHKJRUHGLGNJ-AWEZNQCLSA-N 477.417 5.416 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(COCC(F)(F)C(F)F)c3)c2)cc1 482982229 HKMHSTWJWINHLP-UHFFFAOYSA-N 458.411 6.020 30 20 JKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(CC#N)c2ccccc2)c1OC 495548744 SDBVNZWMKSQPSW-FMQUCBEESA-N 475.548 5.909 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 497503925 MJNORHCFIHDHDI-UHFFFAOYSA-N 493.075 5.038 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 501022374 YUFUKMKSYORVGW-UHFFFAOYSA-N 478.371 5.813 30 20 JKED N#Cc1cn(Cc2csc(COc3ccc(Cl)cc3)n2)c2ccc(Br)cc2c1=O 502819869 OEYKJDDFODYLCI-UHFFFAOYSA-N 486.778 5.373 30 20 JKED N#Cc1cn(Cc2cc(Br)ccc2OC(F)F)c2ccc(Br)cc2c1=O 502840117 IEZPRFMDJLXVIE-UHFFFAOYSA-N 484.094 5.048 30 20 JKED C[C@H](NC(=O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)N[C@H](C)c1ccc(C#N)cc1)(C3)C2)c1ccc(C#N)cc1 509960158 ZYFTZLUZWBAMFS-PYTJZYOUSA-N 494.639 5.461 30 20 JKED CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510006527 PVOGWZJQAVMHNQ-OAQYLSRUSA-N 455.892 6.261 30 20 JKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510274665 WSGCCHPBHAJLQN-SBUREZEXSA-N 478.017 5.923 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(COCC(F)(F)F)cc1 510506427 QISFYJDWASBHLW-UHFFFAOYSA-N 469.463 6.060 30 20 JKED COc1ccc(OC)c(CN2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c1 510905193 DRBRAHYLRMEWQK-UHFFFAOYSA-N 486.572 5.026 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccccc2F)c2ccccc2)CC1 512277705 HOJAJDMEXKEMOQ-UHFFFAOYSA-N 470.504 5.395 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(COC(C)C)cc2)nnc1-c1ccc(Cl)cc1 512749592 PHEKTJRXAMFLDE-UHFFFAOYSA-N 456.999 5.440 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSC2CCCCC2)n1 512970407 RJKAIMFBBHZMIH-KRWDZBQOSA-N 468.600 6.122 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(F)cc2Br)cc1 513992240 OMQNJJIIUATKBP-UHFFFAOYSA-N 456.290 5.833 30 20 JKED N#C[C@H](C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1nc2cc(Cl)ccc2s1 515538980 AFBDKWKQWNGUFR-LJQANCHMSA-N 493.997 5.191 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc12 515542197 ICFVBSBETNYEHO-QGZVFWFLSA-N 479.487 5.829 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CC2)cc1 515794940 MWMLVKHQZIHCKA-UHFFFAOYSA-N 477.615 5.137 30 20 JKED Cc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1NC(=O)c1ccccc1F 516075019 PZHURIRIESNJDH-KRWDZBQOSA-N 462.431 5.621 30 20 JKED COc1ccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1NC(=O)c1ccc(Cl)cc1F 516534163 UFBLVMQBCHYCAK-UHFFFAOYSA-N 497.958 5.038 30 20 JKED N#C[C@@H](C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc(-c2c(F)cccc2F)cs1 518870512 AYTFXWYNWJCJRJ-NSHDSACASA-N 475.402 5.178 30 20 JKED C=CCOc1ccc(C(=O)Nc2nc(C)c(-c3nc4ccccc4n3C(F)F)s2)cc1OC 519503518 JSKSQTKPBISFBC-UHFFFAOYSA-N 470.501 5.689 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 519947395 YAQUWHKPNLDFMJ-UHFFFAOYSA-N 484.541 5.312 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCCO 519992803 QWAJZFCVMLJMHN-VGSWGCGISA-N 479.964 5.258 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 520127278 TYCSNJGSKFLXMH-UHFFFAOYSA-N 458.949 5.355 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 520141478 NDDCIYTYCCEEQL-UHFFFAOYSA-N 481.618 5.306 30 20 JKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 524496785 XZYVTLBFKUJPCY-UHFFFAOYSA-N 472.545 5.554 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1Cl 553300498 OTWNBIFAVIILEG-AWEZNQCLSA-N 490.079 6.369 30 20 JKED C=C1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)CC1 569371491 XHRZKNKOSRGQCO-UHFFFAOYSA-N 473.429 5.571 30 20 JKED CC[C@H](C)n1c(SCC(=O)N(Cc2ccccc2)c2ccccc2C#N)nnc1-c1ccccc1 574663649 ZWYVRQIARLXVOG-NRFANRHFSA-N 481.625 6.113 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)n2)cc1 583888504 PEDQYDGUXCSRLY-JOCHJYFZSA-N 465.582 6.003 30 20 JKED Cn1c([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)nc2ccccc21 587988755 NLQIVJRRSWCFIZ-LJQANCHMSA-N 455.514 6.241 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)c2C#N)C1 602755799 OFJOTXFOZIKBLS-ZDUSSCGKSA-N 475.957 5.451 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccc(Br)c3)cn2)cc1 603831002 FBKVNEDKASZWOO-NRFANRHFSA-N 463.335 5.877 30 20 JKED COc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc(OC)c1OCc1ccccc1 603897361 BQPVOUATLOGKSV-UHFFFAOYSA-N 486.446 5.348 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)c(C(F)(F)F)c1 604022726 WONHRQQEKJVIES-GOSISDBHSA-N 454.520 5.036 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604026572 BHKUCYNNGIHRQI-UHFFFAOYSA-N 479.989 5.873 30 20 JKED CC(C)N(C)Cc1ccccc1CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604137179 OGJSWTCXKYKWCP-VWLOTQADSA-N 489.019 5.091 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C(c1ccccc1)c1ccccc1 604141923 ZPYJUMNYMXAXNU-FQEVSTJZSA-N 476.536 5.021 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc4ccccc4c3)C3CC3)cn2)cc1 604426698 BVBVHEVGLKZSGG-UHFFFAOYSA-N 462.509 5.028 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604458566 GGRRYNFJQWIVBO-DEOSSOPVSA-N 459.571 5.149 30 20 JKED Cc1ccc(CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H]2CCc3ccccc32)cc1 609001069 KWXVLBILVZZYOR-MHZLTWQESA-N 465.601 5.130 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609057319 HXDQELMOSSPNGW-UHFFFAOYSA-N 466.497 5.935 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cc(C#N)ccc4OC(F)F)c23)cc1 609068016 FHBOKNMPTBCRMY-UHFFFAOYSA-N 482.537 5.871 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609163393 KAFDVWQIDKZPNJ-VWNXMTODSA-N 478.017 5.486 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCCC3)CC2)c1 609213451 LBQSAARYEYUJBH-DEOSSOPVSA-N 464.997 5.503 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 609377334 VMNIDSXPULMRIE-AWEZNQCLSA-N 473.524 5.336 30 20 JKED Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1C 609427478 BQGXGYHJAMRUAO-LJQANCHMSA-N 499.702 5.354 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4cccc5ccccc45)C3)n2)cc1 609562995 BVQNMNJLLGSZQG-NRFANRHFSA-N 466.566 5.326 30 20 JKED N#C[C@@H](C(=O)c1occc1CSc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 613320103 RQXOISRSEXIPML-IBGZPJMESA-N 450.972 6.839 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346395 IEBNIWHCYIWBRR-QGZVFWFLSA-N 498.416 6.921 30 20 JKED O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301116 KBJHCWAPRKTWIV-KBPBESRZSA-N 474.380 5.005 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1OC 618608730 NCGWISVTYPQIRP-JOCHJYFZSA-N 474.520 5.595 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)ccc1Cl 619853320 BJNPLSLNSWRHQX-UHFFFAOYSA-N 464.900 5.649 30 20 JKED Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1-c1ccc(Br)cc1 726324979 IBOPQLNUIWRIRU-LJQANCHMSA-N 487.382 5.940 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 726570576 GRLJGUVYVSABCV-UHFFFAOYSA-O 497.043 6.722 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cnn(C)c1C(F)F 727298772 AVQVWZPTLAUYGG-GOSISDBHSA-N 471.489 5.192 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 728121786 PXGJKMRLSUCVQT-KRWDZBQOSA-N 490.947 5.630 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 728150474 RXQIPJFBTTZDKL-LADGPHEKSA-N 477.486 5.663 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 728412219 RSHCSTJMQQRNHL-KRWDZBQOSA-N 497.445 5.108 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)CSc3ccc(C#N)cc3)cs2)cc1 728676112 GIYPUQRAMRIMNE-UHFFFAOYSA-N 451.573 5.097 30 20 JKED C#Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)nc1 729012957 WJFDOKJGMNIECQ-FQEVSTJZSA-N 458.823 5.272 30 20 JKED C#Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccc(C)o2)CC3(C)C)cn1 729030817 HKUYIIXXNLMTCM-YRNVUSSQSA-N 497.576 5.471 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2scnc2C)C1=O 729144730 YQVIMOVHMYKKMI-NRFANRHFSA-N 494.642 5.237 30 20 JKED CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729552817 MBNGOMQJAPDESR-FCHUYYIVSA-N 483.490 5.264 30 20 JKED COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 729553477 QGBZPISQBXSIHG-GDLZYMKVSA-N 461.565 6.585 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1C 729634454 MLKZRGOSKJHOIH-HSZRJFAPSA-N 476.577 5.306 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ncccc1C 729634613 OZXAIBFQEKHWEY-DEOSSOPVSA-N 488.613 5.176 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(OC)cc1 730499063 OLBRAXGPRMAFMN-GOSISDBHSA-N 477.558 5.156 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1 730716733 XCLVWZPIFSVPBN-SFHVURJKSA-N 493.347 5.281 30 20 JKED COc1ccc(NC(=O)c2ccccc2NC(=O)CNc2ccccc2SC[C@H](C)C#N)cc1 731029202 ZPZJXXBAVAHIBQ-GOSISDBHSA-N 474.586 5.250 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 731062047 XMHQXYCMELKKRK-QGZVFWFLSA-N 456.995 5.728 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731308856 QZIHFSGAVFHMMT-IBGZPJMESA-N 461.946 5.088 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 743294774 ZHBAUMLXPBDVBR-HSZRJFAPSA-N 491.592 5.389 30 20 JKED CCOc1c(Br)cc(Br)cc1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 745626878 SZQKTIREHQIXGF-SREVYHEPSA-N 495.167 5.463 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)nc1C 747338656 NDZNUUPENIHSBW-MRXNPFEDSA-N 478.647 5.465 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c1 747601569 VVEMRIAKOFJAOW-QFIPXVFZSA-N 478.643 5.537 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 748986032 PNOFJCHJZKAUIY-UHFFFAOYSA-N 478.593 5.100 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 749361249 LNYUEDSDEDINSD-UHFFFAOYSA-N 475.555 5.260 30 20 JKED O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1 751415654 ZWFARWDIGXDBTK-UHFFFAOYSA-N 452.396 5.307 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CC(F)(F)F)C2=O)cc1 799218810 GPSDLANFWXCRHZ-QGZVFWFLSA-N 483.899 5.065 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC)cc3)N(CC(F)(F)F)C2=O)cc1 799221046 RTHRWODYHULONP-IBGZPJMESA-N 495.523 5.007 30 20 JKED N#Cc1ccccc1/C=C/C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 799734638 JWEZULLWYGPIHY-MDWZMJQESA-N 472.353 5.318 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1[C@H](C)c1ccccn1 837299020 BCDFQDLQOMLHLI-VGSWGCGISA-N 489.557 5.020 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837299916 OXHGUSTYAWCPII-SQJMNOBHSA-N 486.641 6.037 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(C2CCN(C(C)C)CC2)C1=O 837517023 FPLNSYIRCZJZBV-HSZRJFAPSA-N 499.080 5.482 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 838094973 VFOMFHRJSBIOCJ-JPYJTQIMSA-N 474.586 5.202 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)cc1 857648690 XTPXZZAFRINCNY-LJQANCHMSA-N 495.052 5.257 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OC[C@H]2CCCCO2)ccc1Cl 857828626 DNUZLQZRWLLMHT-QGZVFWFLSA-N 484.401 5.101 30 20 JKED O=C(CCC[S@](=O)c1ccc(Br)cc1)N(O)Cc1cc(Cl)cc(Cl)c1 901378545 LQHXQRBVHTXJKA-VWLOTQADSA-N 465.196 5.062 30 20 JKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OC)c1OCc1ccccc1 915087515 VROYYCLEOFRQCM-AREMUKBSSA-N 478.548 6.191 30 20 JKED COc1ccc(-c2noc(CCCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 915101048 BIFXXEWVZWUXDU-IBGZPJMESA-N 478.961 5.721 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1ccc(C)o1 915110794 CMHGZMYAPMMPAS-QFIPXVFZSA-N 499.539 5.078 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)s2)cs1 915354292 ZEYSGJHQHNAYES-QFIPXVFZSA-N 458.612 6.200 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 915359043 JTKSMKSTUOAMQN-GDLZYMKVSA-N 479.624 6.667 30 20 JKED CN(C)c1ccc([C@H](CNC(=O)Nc2cccc(OCC#N)c2)c2c[nH]c3ccccc23)cc1 915710700 XYTFCBHOTMBPRY-DEOSSOPVSA-N 453.546 5.090 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C)c1 916207089 UPCOLQWRCOZMEN-OAQYLSRUSA-N 474.026 5.344 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O)Nc1cccc([N+](=O)[O-])c1 916211696 FNCYRWKANPPZEK-LJQANCHMSA-N 484.921 5.002 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 916217061 DBNTVZSJFCJJKY-SFHVURJKSA-N 484.380 5.129 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNC(=S)Nc3cccc(Cl)c3C)cs2)cc1 916299055 ZAQVEQBRCTZVTF-UHFFFAOYSA-N 474.011 5.119 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3COc3ccc(Cl)cc3)s2)cc1 916692124 ZUYUXARZJHJQNQ-SFHVURJKSA-N 486.022 5.431 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1 916914472 LSKFVOZDJOUALK-VQIMIIECSA-N 496.658 5.326 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916926148 SWKYKCKFBOTABX-WAVCKPEOSA-N 470.369 5.484 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC 916934891 JITRYDYVEPVIEI-PXDATVDWSA-N 495.000 5.527 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 916954856 KZBYOQJOFINDOZ-IERDGZPVSA-N 496.036 5.572 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1nc(-c2ccc(Cl)cc2)cs1 916975410 CCMYADBFNBJXLS-ZBFHGGJFSA-N 456.354 5.346 30 20 JKED N#C[C@@H](C(=O)CCCOCCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997484 YXVNXXKOQVPUGU-IBGZPJMESA-N 459.398 6.333 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cs1 917542742 OUZDIATWQDPMOU-UHFFFAOYSA-N 483.022 5.556 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)cc2)cc1 917613771 VHOVPHSOIFZURC-UHFFFAOYSA-O 463.026 6.726 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3ccccn3)C2=O)c1 917699492 WGMDZDGIGBJZNB-VWLOTQADSA-N 496.592 5.404 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 918711143 QIMWAOZIKVEMNC-UHFFFAOYSA-N 479.281 5.184 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 920140874 KMDNPXIYBRODSL-XMMPIXPASA-N 461.546 6.188 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(C)C)c1 920358824 BYNONYDJZMIILY-QHCPKHFHSA-N 494.592 5.714 30 20 JKED Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)nnn1-c1ccc(F)cc1 920389708 SEKDELQLSVTSJF-ZROIWOOFSA-N 460.896 5.517 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CCO2)C1 1779244438 QVAFVVCAPXSJPZ-IRPSRAIASA-N 496.598 5.321 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)cc1C(F)(F)F)C2 1779275517 RPGPLIXGHGAODI-MEKIYTOJSA-N 498.973 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)C1 1780919593 OGGRVALUAVTTDM-MEKIYTOJSA-N 498.973 5.255 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc(O)c(O)c(Cl)c4)CCC3)cc2)cc1 1785797456 LJYWRVUYWKMBBY-UHFFFAOYSA-N 489.959 5.003 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3C(F)(F)F)CCC2)cc1 1786365885 ZHCMFXVACLLCIE-OAHLLOKOSA-N 478.898 5.145 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3SCc3ccccc3)CCC2)cc1 1787647311 BJJPWXXRYNHEHU-UHFFFAOYSA-N 456.571 5.035 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(Br)cnc34)CCC2)cc1 1787888866 JVQTUXUEXNLSBY-UHFFFAOYSA-N 477.362 5.049 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)cc2)CCC1 1789215916 HPQQOPRGZFKWHT-JTHBVZDNSA-N 489.616 5.134 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5scnc5c4)cc3)CCC2)c1 1789341228 WPJBSQKSTGCGPI-UHFFFAOYSA-N 482.565 5.238 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Cl)ccn34)CCC2)cc1 1789451209 ANTNVZDGMOSBBA-NRFANRHFSA-N 462.981 5.504 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(Cl)n4)cc3)CCC2)cc(C(F)(F)F)c1 1789747165 ZDHSFPFSRDOCCY-UHFFFAOYSA-N 499.880 5.082 30 20 JKED CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cn1 1790081707 FENMEECHZCIQJM-UHFFFAOYSA-N 458.949 5.231 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CCC1 1790248961 SUZCVNDQMXTFKP-UHFFFAOYSA-N 460.496 5.436 30 20 JKED Cn1ccc2cccc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(F)c(C#N)c5)cc4)CCC3)c21 1790520086 DITWKHOUTCVUJG-UHFFFAOYSA-N 480.543 5.179 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3oc3ccccc34)[C@H]2C1 1790540989 RRRFXWWNTPXLJV-QXWFJRNPSA-N 474.601 5.172 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccccc34)CCC2)cc1 1790564560 GWTOCSCQMCOWGC-IBGZPJMESA-N 460.578 5.036 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cc(C)ccc4n3)CCC2)cc1 1790568194 OGNRTLHHISYISK-LJQANCHMSA-N 458.562 5.092 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)cc1 1790706686 PRZVXXQQHAUZQO-UHFFFAOYSA-N 460.537 5.362 30 20 JKED COc1cc(Cl)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790708464 VOYWLUGSLQDKTR-UHFFFAOYSA-N 473.960 5.476 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1791454227 OWUUPMWSJOBKDQ-PKTZIBPZSA-N 481.637 5.288 30 20 JKED Cc1ncccc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123194 MVWPRWPTTFKXIB-FQEVSTJZSA-N 466.585 5.398 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@H](C)C#N)c5)cc4)CCC3)[nH]c2c1 1792123820 QZYPPHRRUGVZQN-LJQANCHMSA-N 492.579 5.865 30 20 JKED COc1ccc(F)cc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124221 PRJCWCKVOJCRRV-GOSISDBHSA-N 471.532 5.523 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)s4)CCC3)cc2)c1 1792124738 FZMXMCFVKSBKKN-HNNXBMFYSA-N 464.978 5.485 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cc(F)ccc1Br 1793405553 UYCUESSCRVRICE-ACDBMABISA-N 479.434 5.151 30 20 JKED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)c(F)c2CSc2ccccc2)CCC1 1799344899 UWLHRVBWPMEYIK-REPLKXPHSA-N 495.595 5.203 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccnc1 1802501741 AYBCJLNQONKJET-NFBKMPQASA-N 470.013 5.056 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)C[C@H]3OCCc4ccccc43)C2)CC1)c1ccccc1 1805904873 DFCIAFJSXVNLRU-FQLXRVMXSA-N 498.667 5.119 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@H]1c1cccnc1 1806451402 XJAHJDWNMLXDPK-HLNBIENKSA-N 473.661 5.686 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809244443 PMTUCLDBADTXDZ-HOFKKMOUSA-N 487.676 5.199 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cc4c(Cl)cncc4s3)C2)CC1 1810245494 FLWRZKQZAXNFJA-UHFFFAOYSA-N 472.054 5.563 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)s2)[C@H]1c1cccnc1 1810494785 HCDWMBHPRNHYGM-URXFXBBRSA-N 453.652 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1810500475 QTOJEFQPQFOGBK-RXVVDRJESA-N 482.675 5.373 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)[C@@H]2c2cccnc2)cc1 1811897255 HGYLWRNMKUUINJ-FDDCHVKYSA-N 497.357 5.033 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1813048683 QQWRYLXBBWCGHW-UUOWRZLLSA-N 466.006 5.073 30 20 JKED Cc1cc(C)cc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1813244836 NHLXWDBFKGNADS-TVHSXNCYSA-N 494.639 5.278 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)c2[nH]1 1813865934 KDXMIFJEFFJPFV-QABSLLFYSA-N 491.595 5.132 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813954160 XLABRUQOYXCVRF-VMPREFPWSA-N 479.624 5.837 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)ncc2F)n[nH]1 1818282632 JNOPPCUOFIBTAE-KRWDZBQOSA-N 492.393 5.005 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3csc(-c4ccccc4)n3)n[nH]2)cc1 1818362181 OQFVDCQZRCJWJL-HSZRJFAPSA-N 496.596 5.219 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1819305252 FTYGLSINJLJODX-YOEHRIQHSA-N 450.461 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1c[nH]c3cc(OC)ccc13)CC2 1819599309 CQQUTLPVDUWAGA-QGKOQGRUSA-N 490.629 5.027 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)cc12 1820218816 DMLODPGVKDSUKM-JOCHJYFZSA-N 486.963 5.344 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)[nH]n2)c1 1820306996 NNTGRWLABXLSHW-QGZVFWFLSA-N 478.965 5.097 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)[nH]n2)cc1 1820548493 CGJAODZDDSYEKH-RUZDIDTESA-N 491.551 5.693 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823300 HZTRREHVLJWQTL-UWJYYQICSA-N 465.985 5.233 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821027155 RUQGRMMAVBXCIR-LJQANCHMSA-N 477.030 5.075 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2)cc1 1821179708 KKDQCSODMRJTIO-OAQYLSRUSA-N 482.371 5.402 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)[nH]n2)c1 1821325735 NXSZSTKQHHJKQR-QFIPXVFZSA-N 495.505 5.157 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821609710 HMAWQGDSMNIAFU-VGSWGCGISA-N 472.545 5.206 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1821988597 YXKZPFPTMYFVEZ-FQEVSTJZSA-N 478.499 5.826 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)[nH]n2)c1 1823218175 YXANJKJYJXRJCX-PEBXRYMYSA-N 481.478 5.074 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cccc2OC)n[nH]1 1823252216 WXJDXQOSEWGEPC-GOSISDBHSA-N 458.990 5.370 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CC2)C1 1823703133 OUMBUICBXUQJHG-DVECYGJZSA-N 476.583 5.481 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)C(C)(C)C#N)CC3)ccc21 1823885319 PNDZBNLCXODJOM-RUZDIDTESA-N 484.644 5.597 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053425 XUHZDBLNCPFPAY-HHHXNRCGSA-N 491.752 5.162 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 1824143501 PLSDAFQICVRAGH-RUZDIDTESA-N 461.606 5.343 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1824500164 DUEVXRBNNPNNRP-MUUNZHRXSA-N 492.635 5.709 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1825219341 QBDHZULKEVEWAS-BJKOFHAPSA-N 491.598 5.421 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 1826469746 RZPAXPXUENMUPC-VWLOTQADSA-N 470.705 5.039 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1)c1cccs1 1827683954 RUGNABQHDANXDU-JHUUHBRDSA-N 476.642 5.298 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684110 VWMLQMIINZTTDB-BYUVYSIJSA-N 494.657 5.209 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828656613 JEVPNLLFXSTEEX-OPAMFIHVSA-N 489.479 5.154 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)CC1 1828830546 PPAWYJAEIDDBJN-LQVFFPTPSA-N 491.720 5.504 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1)c1ccccc1 1829031596 BGLZUJDYAPOQRF-PQHLKRTFSA-N 493.651 5.665 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)CC1 1829390534 WBKFLHGOVJCTTD-PZJWPPBQSA-N 463.544 5.102 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)cc1 1829896555 LTLPYODRMHENSD-DEOSSOPVSA-N 481.999 5.217 30 20 JKED CCOc1c(F)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1829956299 BUGKEAQYCSYNQR-XMMPIXPASA-N 497.998 5.297 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 1830027812 NYQHTHRWRZVVOM-HSZRJFAPSA-N 470.400 5.412 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830052342 SQYKZSQKCYGVPH-PKTZIBPZSA-N 462.556 5.707 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1830472179 RYRJCIRAKJJFQT-FNZWTVRRSA-N 461.581 5.308 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058999 BQUZMMCMISESBL-RSXGOPAZSA-N 488.628 5.392 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1831373909 IZPFKKUDTIHCJW-UTKZUKDTSA-N 484.534 5.212 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1832029595 JBSDNOPFDKIGJD-HSZRJFAPSA-N 454.998 5.513 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832683733 UEJSXKKWCQXPOD-NDEPHWFRSA-N 485.628 5.203 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccsc3)CC2)cc1C#N 1832701427 GWIPVDYOEWWTGZ-RUZDIDTESA-N 493.673 5.273 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C)c4ccccc34)CC2)C1 1832996307 RYVNSMICQADVLD-MUUNZHRXSA-N 458.646 5.667 30 20 JKED Cc1cc2cccc(C(=O)N3CCC(OC4CCN(C(=O)c5cccc([C@H](C)C#N)c5)CC4)CC3)c2[nH]1 1838233740 XIQZGHGPIFJCKX-HXUWFJFHSA-N 498.627 5.029 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CC2(CCCN2C(=O)c2cccc(C(F)(F)F)c2F)C1 1845347184 JNBHLDGDOOVOMT-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C#CCCCC(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1846375255 RDCOGRFHDXRGIS-UHFFFAOYSA-N 470.491 5.118 30 20 JKED CC(C)[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc([C@H](C)C#N)c2)C1)c1ccc(Cl)cc1 1846825047 DFWOYAKLEFLRBP-DVECYGJZSA-N 464.009 5.224 30 20 JKED CC1(C)OB(c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5sc34)c2)OC1(C)C 1857523132 DVRNBDKDKVQTQW-UHFFFAOYSA-N 487.433 7.722 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 9331268 BUADKFMIMWIYQI-UHFFFAOYSA-N 477.952 5.388 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10168919 DRTGBUQTGMOAEX-UHFFFAOYSA-O 491.680 6.721 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)c1ccccc1 10317173 VZXLUMKGERJDDD-UHFFFAOYSA-N 475.524 5.251 30 20 JKED C=CCn1c(SCc2cc(OC)c(OC)cc2Br)nnc1-c1ccc(OC)cc1 20068205 MSHKETMNMFVULC-UHFFFAOYSA-N 476.396 5.212 30 20 JKED N#CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)ccc1Cl 21454341 FZCYJENUONUOOA-UHFFFAOYSA-N 475.353 5.069 30 20 JKED COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c3ccccc3n2)cc1 22141383 XSBUBUZTYMVKQJ-UHFFFAOYSA-N 483.549 5.322 30 20 JKED Cc1cc(C)c(C#N)c(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)n1 24479125 OJXZBIAHIFHJRC-HXUWFJFHSA-N 456.527 5.379 30 20 JKED C=CCN(C(=O)CCNC(=O)c1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769957 BGPLZOIWNVFPAM-UHFFFAOYSA-N 450.347 5.049 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(OC)c(Br)c2)cc1OC 30912965 PQYQWNCVQXTRJD-CYBMUJFWSA-N 485.216 5.644 30 20 JKED C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2C1 31080916 ZAMUFYHCNZGLFO-WDWWVRLLSA-N 489.579 5.180 30 20 JKED C=CCn1c(SCc2nc(Cc3ccccc3)no2)nnc1-c1ccc(Br)cc1 36844536 QUNOWJAERRQSQH-UHFFFAOYSA-N 468.380 5.160 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(-n5ncc(C#N)c5N)cc4)cc3)sc2c1 72089885 YIFSJWUCEXKKPQ-UHFFFAOYSA-N 450.527 5.164 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)cn1 108287806 IGRNSHYPNCBUFV-UHFFFAOYSA-N 469.497 5.246 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc(NCc3ccccc3)s2)n(Cc2ccco2)c1C 248122201 VPOVIRZYROUHPQ-UHFFFAOYSA-N 492.630 5.202 30 20 JKED COc1ccc(Br)c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 303218930 ULRBWSJRTPOORI-QFIPXVFZSA-N 451.320 5.031 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccccc1 303301990 CYFSHRJBZSJLCQ-UHFFFAOYSA-N 472.492 5.494 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccccc1SCCC#N 303308540 QGBGPXPYLQIMSW-UHFFFAOYSA-N 459.402 5.983 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)cc2F)c1 481711878 KEIJGOIJNWKIGP-XMMPIXPASA-N 483.902 5.674 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)[C@H](CC)c1ccccc1 484854952 JFTKCHAOSPVGHV-XMMPIXPASA-N 456.546 5.382 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)cc1 498376396 JSVAPFAMZDQNLV-XMMPIXPASA-N 466.990 5.131 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 499393031 VLJSCMMLKFJBEL-UHFFFAOYSA-N 470.920 5.418 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(ccn3CC(C)C)c2)cc1[N+](=O)[O-] 500076666 WKTAHPRGLPSVAJ-UHFFFAOYSA-N 486.532 5.244 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OCc1cccnc1 500746701 WCVFSJZSHSTWSI-UHFFFAOYSA-N 479.536 6.284 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1csc(NC(=O)c2ccco2)n1 501146358 GABRAQLILWXFCV-UHFFFAOYSA-N 474.517 5.084 30 20 JKED COc1ccc(COCc2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)cc1 502420665 NXWSBGSPHSKTLE-UHFFFAOYSA-N 494.595 6.058 30 20 JKED Cc1nn(Cc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)c(C)c1[N+](=O)[O-] 509560926 SYBIEVHLEBOIBP-HXUWFJFHSA-N 457.515 5.070 30 20 JKED C=CCn1c(SCC(=O)N(c2ccc(OC)c(F)c2)C(C)C)nnc1-c1ccc(Cl)cc1 509808946 LPNMPGXJMOPLQG-UHFFFAOYSA-N 474.989 5.466 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(CC(F)(F)F)CC2)cc1Cl 510006827 UUVADDDVWCIEHU-LJQANCHMSA-N 450.892 5.097 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510906320 YHVDRCQHPIOEPU-UHFFFAOYSA-N 487.556 5.752 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 511365079 QEHFKFLSCUCCLV-UHFFFAOYSA-N 465.557 5.619 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SC[C@H](C#N)CCC#N 514594888 KCRUMAJEMAHHFR-DEPCRRQNSA-N 453.587 5.529 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 514954538 BAOHMOZXANFROQ-MRXNPFEDSA-N 469.973 5.351 30 20 JKED Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1S(=O)(=O)N1CCCCC1 515699023 AFLFENPDASQYKN-UHFFFAOYSA-N 465.600 5.022 30 20 JKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517159138 POGWJIWDZMETMW-CQSZACIVSA-N 469.875 5.440 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 517478392 DUTBKLJQDLNTNH-UHFFFAOYSA-N 483.977 5.100 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1 517509154 IKTZNZZOUKFTPJ-UHFFFAOYSA-N 452.558 5.292 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 518166461 OXVCNDMIICBOBS-HNNXBMFYSA-N 459.497 5.465 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 518255430 DBTKKIKBIOLDQW-HNNXBMFYSA-N 471.051 6.755 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(NCc2ccccc2)s1 518654068 XECIFBQRTQSEAI-HNNXBMFYSA-N 455.634 5.133 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2)cc1 519091297 TWDBPJFADNRPEK-JOCHJYFZSA-N 468.538 5.262 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 519501763 PWRYHJUXCLMIGR-UHFFFAOYSA-N 466.541 5.111 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(C)C)c(Cl)c2)cc1[N+](=O)[O-] 519947201 ZOCFTGCQUWLESS-UHFFFAOYSA-N 483.912 5.073 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 520847164 YVHXIHVRYPJKSN-SBUREZEXSA-N 479.552 5.255 30 20 JKED N#C[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccc(Cl)c1Cl 520889273 CHWBANIDRMWZFG-FQEVSTJZSA-N 478.335 5.915 30 20 JKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)n1 524218290 ZIPBQRPWQHOGIK-UHFFFAOYSA-N 476.587 5.302 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 551896592 VWJKHJYMFKRZKX-UHFFFAOYSA-N 497.425 5.390 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COc2c(Br)cccc2Br)c1C 553044088 VFMVHHATVCFZTH-UHFFFAOYSA-N 466.173 5.154 30 20 JKED C=CC[C@H](C(=O)N1CC(CN2CC(C)(C)c3cc(-c4cnn(C)c4)ccc32)C1)c1ccccc1 575883238 KVFYLZQUKGPFKD-VWLOTQADSA-N 454.618 5.003 30 20 JKED CN(CCC(F)(F)F)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 589325239 QHKZQWJWHSETTR-UHFFFAOYSA-N 473.339 5.423 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)n1 591615042 ZRBSJSOIEVLBAJ-NRFANRHFSA-N 481.961 5.264 30 20 JKED Cc1ccccc1CN(Cc1ccccc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603619033 HOAQOVWJKOKUML-UHFFFAOYSA-N 480.568 5.560 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)oc12 603706014 FXFWJMWHITXZAC-SFHVURJKSA-N 483.524 5.098 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCc4cc(O)n5ncc(C#N)c5n4)o3)c3ccccc3n2)cc1 603726084 XCFOBLBNUCVLRF-UHFFFAOYSA-N 491.536 5.173 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1Cl 603765940 DXBOCOUEQQHFMK-RUZDIDTESA-N 453.929 6.222 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN(c4nc5ccccc5s4)C3)s2)cc1 603835961 DOXKGCSUXJZPFR-GOSISDBHSA-N 459.600 5.070 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 603991319 OWRZLURPZKOZAC-UHFFFAOYSA-N 477.973 5.088 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)c2)c1 603995617 NKLXOEYDRSQJLD-UHFFFAOYSA-N 484.519 5.311 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 604004159 ZNMHPAMWFKFACJ-UHFFFAOYSA-N 459.933 5.364 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4cccc(Br)c4)C3)cn2)cc1 604400358 QTLYWNMZFVCNFP-SFHVURJKSA-N 492.377 5.156 30 20 JKED N#CCCCOc1cccnc1NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 608883656 WFGWTNTUGQKOMY-QHCPKHFHSA-N 451.979 5.879 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 608995077 ZLILQRPYMAXHMX-VWLOTQADSA-N 487.003 5.730 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCc2sc(-c3ccccc3)nc2C)cc1 609006008 PTARNQTZPVJMRC-UHFFFAOYSA-N 498.564 5.046 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609020195 GNWMVSWRMLPDCS-UHFFFAOYSA-N 470.504 5.067 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCc3cccc(NC(=O)c4cccc(F)c4)c3)o2)cc1 609058046 FLDLFBFMPPWGJR-UHFFFAOYSA-N 469.472 5.052 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc2Cl)c1 609080616 QAJBIOCQZQBIQB-UHFFFAOYSA-N 489.938 5.156 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H]3CCOc4c(Cl)cccc43)cc2Cl)c1 609088584 AHPHIXYGUJLTPQ-NRFANRHFSA-N 496.350 5.023 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 609413941 IKHWYSNOUJJPNK-UHFFFAOYSA-N 477.586 5.063 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC 613402528 CJNRCVMHJUNTEJ-LBPRGKRZSA-N 465.756 5.610 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1OC 613933528 WXDCFVQNIPUOKU-QHCPKHFHSA-N 490.673 5.893 30 20 JKED O=C(Cc1ccc(F)c(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517849 PXTDBSAJKIBRBE-QGZVFWFLSA-N 453.329 5.145 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc3ncccc23)C(C)C)nnc1-c1ccccc1OC 639429445 MVNZFNKVIZKSDC-HSZRJFAPSA-N 473.602 5.443 30 20 JKED O=C(NCCCOCC(F)(F)F)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 642711875 DJCRDDXRSOQBBG-UHFFFAOYSA-N 481.368 5.187 30 20 JKED O=C(NCCc1ccc(C(F)(F)F)cc1)Nc1cccc(COCC(F)(F)C(F)F)c1 643209016 SBWLNYMDAKEGLD-UHFFFAOYSA-N 452.370 5.487 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NN=C2c3ccccc3-c3ccccc32)cs1 725798220 RZHLTJWCUBNYHB-UHFFFAOYSA-N 490.510 6.698 30 20 JKED CC(=O)N(CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)Cc1ccccc1 726322352 SFUZWFBKWSOZIY-IBGZPJMESA-N 472.397 5.732 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC)c(F)c1 726412154 QGTHZDDSXUHNQG-IBGZPJMESA-N 463.962 5.166 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)c1 726412655 PQQSVEMLHVKFAI-HXUWFJFHSA-N 473.520 5.303 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)Cc1ccco1)c1cccs1 726422525 XBFDDWXSDDPCRO-DPLAOBIJSA-N 467.616 5.362 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(NC(C)=O)c(SC)c2)[n+]2cccc(C)c2)c1 726572814 GNHPNTDAVRBSTC-UHFFFAOYSA-O 474.631 5.267 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nc(=O)c3c(C)c(C(=O)OCCOC)sc3[nH]2)cc1Cl 727263477 DEXFLGKEYOVPDZ-RVDMUPIBSA-N 495.384 5.051 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCO[C@H](c3cccc(F)c3)C2)c1=S 727425038 GRAAQSCDMWPLHH-NRFANRHFSA-N 474.989 5.003 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C 728346440 HMCFYFZJILRQGA-DEOSSOPVSA-N 488.613 5.337 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729881276 SWLWRETXWDIWGL-XDHUDOTRSA-N 498.583 5.729 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c(C)c1 730443476 FMSJGPIBDPRFPV-QHCPKHFHSA-N 494.592 5.250 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCC1 730461850 SRXSGKMPFHCLDA-SFHVURJKSA-N 478.401 5.515 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 731026409 KIEGJYHJAUQAGO-IMQCZEGASA-N 484.666 5.130 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 731079030 AGGWKCQLBPSLMX-HNNXBMFYSA-N 462.493 5.313 30 20 JKED N#CCOc1cccc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)c1 731133814 DXZLRUGSXKDHFY-JOCHJYFZSA-N 486.330 5.074 30 20 JKED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 731278223 NMPNJECWXSGUPR-DQQTXVFNSA-N 482.650 5.112 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1ccco1 731303840 CASBFWKUZYWKGB-PGRDOPGGSA-N 477.586 5.194 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 731305679 GBPJKAIPYRWMJH-MBSDFSHPSA-N 474.586 5.126 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)cc1C 731310983 UJTQKHSTZXZJMV-FDDCHVKYSA-N 477.586 5.194 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c1 731312530 MNGLVQOPPOTVFJ-FQEVSTJZSA-N 469.563 5.062 30 20 JKED CCN(CCC#N)Cn1nc(CSc2nc3ccccc3s2)n(Cc2ccccc2)c1=S 742540227 BAJPBWPTTCKHNG-UHFFFAOYSA-N 480.688 5.557 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 743525012 OIGSPUMVINJDBR-VGOFRKELSA-N 462.550 5.251 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCOC2CCCC2)c1 747044582 VHBGMWMGXMPFEY-QHCPKHFHSA-N 499.608 5.144 30 20 JKED CCCC1C/C(=C/c2cnc3c(c2)c(C)nn3C)C(=O)/C(=C\c2cnc3c(c2)c(C)nn3C)C1 750897113 WSTXCQHVIUBIFH-BIAOHPHYSA-N 454.578 5.113 30 20 JKED CCn1nc(C)c(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)c1C 750908064 CJXXCRYEHPVYMT-OWBHPGMISA-N 456.546 5.286 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(F)c(Cl)cc2Cl)n(Cc2ccccc2)c1C 761953167 OBWZFGNTURAVTA-UHFFFAOYSA-N 474.319 5.266 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)cc1 799218900 IERXKNXAZIQRRG-INIZCTEOSA-N 455.889 5.171 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(F)(F)F)cc1 799222334 VNXSEHPADGSTQT-SFHVURJKSA-N 495.910 5.141 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 837443270 ARSYBTINXBKWDL-BWKNWUBXSA-N 486.641 6.037 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 837540199 UDGDHSRWFVESHV-QVKFZJNVSA-N 482.968 5.596 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1OC 838504407 OLQMLOQSJOGZSU-KRWDZBQOSA-N 464.374 5.148 30 20 JKED Cc1cc(-c2cc(C(=O)OCc3c(C#N)c(C)nn3-c3ccccc3)c3c(C)noc3n2)c(C)o1 841965804 KMNVVSYXISDIJU-UHFFFAOYSA-N 467.485 5.131 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 913120344 HFTOZIZSHDRXSM-HSZRJFAPSA-N 490.585 5.015 30 20 JKED N#C[C@@H](C(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 915102137 SEXIJYQZAKUPSA-CWGWECIMSA-N 498.955 5.585 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)o2)cc1 915103909 HQNJOICITXOILE-INIZCTEOSA-N 455.461 6.088 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cc1 915598584 VAFQRCZRCHLDIN-JOCHJYFZSA-N 470.529 5.371 30 20 JKED CC(=O)Nc1ccc(O)c(C(C)=NNc2ncnc3cc(-c4ccc(Br)cc4)sc23)c1 915955559 GOKFVQLMMGBPGK-UHFFFAOYSA-N 496.390 5.621 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3OC)c(OC)c2)c(F)c1 916141573 MCZQELQJZILPOB-ONNFQVAWSA-N 499.922 5.419 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 916206196 ONFROPYKJIKUFC-GOSISDBHSA-N 498.407 5.519 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc2ccccc12 916217122 FSVSNFBZNFZSDF-QFIPXVFZSA-N 498.004 5.109 30 20 JKED N#C[C@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 916846039 FBPOZKMPEJKZHH-CQSZACIVSA-N 460.386 5.782 30 20 JKED N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1nc(N)nc(Nc2ccccc2)n1 916881139 UREJQMKSIJIDCY-GOSISDBHSA-N 479.569 5.067 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916901042 WTNCLYZBILSRQJ-QGZVFWFLSA-N 459.596 6.111 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 916903470 OJVMDSSNDIBWIV-HXUWFJFHSA-N 496.036 5.183 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 916906155 CDTRDEVALIBBGY-RUZDIDTESA-N 462.505 6.019 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916910375 XDPYESAFLDATRX-DQEYMECFSA-N 466.537 5.227 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944450 DWBYDWDCJJTWHG-INIZCTEOSA-N 498.160 5.075 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(COc3ccc(F)cc3)n2)cc1 916951463 YMQALZIEELHODP-YWZLYKJASA-N 451.523 5.336 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 917506702 FNCIQMGIFSWWBJ-AVRDEDQJSA-N 459.546 5.041 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 917507149 PKHQJGFEDNIYFX-MRXNPFEDSA-N 499.386 5.505 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)c1 917714924 USEMQTPLWMLWCY-XMMPIXPASA-N 490.604 5.547 30 20 JKED CCN(CC)c1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 918624458 XJXMWWYNZXSHEZ-UHFFFAOYSA-N 472.614 5.065 30 20 JKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1OCc1ccccc1 918625747 AFPHLENOKQCEPR-UHFFFAOYSA-N 454.448 5.351 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1OC 919027727 WXRYLIAKNJOEFV-UHFFFAOYSA-N 472.950 5.412 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 920102082 OTCXDINWKNFMLS-QGZVFWFLSA-N 472.957 6.044 30 20 JKED Cc1cc([C@@H](C#N)C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)nc(C)n1 920108967 ZOOTUFUHLZUPHM-MRXNPFEDSA-N 450.329 5.293 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc2ccccc2n1C(F)F 920112708 HTFBQVAKHIUBCB-IBGZPJMESA-N 484.462 5.849 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@@H](C)c2ccc(C)s2)C1=O 920170496 NGBNZBQMVQIZLB-MEDUHNTESA-N 456.420 5.192 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 920353253 FHBJEBXREPKBQC-BBVWWWHTSA-N 491.657 5.072 30 20 JKED O=C(Nc1cc(N2CCCC2=O)ccc1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 920437742 HPJJDERQNNGRGN-UHFFFAOYSA-N 494.363 5.087 30 20 JKED Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc2c(c1)Cc1ccccc1-2 920486555 MJJIULZUPBYYHS-UHFFFAOYSA-O 476.581 5.754 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 920868288 JOUNOACKBVWWDP-JLTOFOAXSA-N 477.989 5.030 30 20 JKED C=C(Br)CNC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 921120767 ZDGWDLXBCJNUQK-UHFFFAOYSA-N 457.250 5.380 30 20 JKED CC[C@H](C)Cc1c(C)sc2nc(S[C@H]3CCN(c4sccc4C#N)C3=O)nc(O)c12 1458897142 NATIMBFRUOIZLF-NHYWBVRUSA-N 458.634 5.125 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4cc(F)ccc4Br)CCC3)cc2)C1 1785804576 MDESXOWVBUSNAP-UHFFFAOYSA-N 471.370 5.231 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1786106558 XXBVNXCVIQTCTD-NKKJXINNSA-N 493.648 5.287 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1786678413 VQEQNMKJJMXZNT-UHFFFAOYSA-N 457.599 5.416 30 20 JKED Cc1ncoc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#Cc4ccccc4)cc3)CCC2)cc1 1787478092 YWRFHKHKWAOQMY-UHFFFAOYSA-N 475.548 5.444 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Br)ccc4c3)CCC2)cc1 1787888820 CQNIDXFJCXGRJN-UHFFFAOYSA-N 477.362 5.049 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccn5c4)cc3)CCC2)c(Cl)c1 1788413722 IBJLWECLLMEAHS-UHFFFAOYSA-N 474.973 5.587 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3F)CCC2)cc1 1788648594 NGHNETMWKCFVQO-ZHACJKMWSA-N 480.536 5.142 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc4cc[nH]c4c3)CCC2)cc1 1788649719 SSMRLNSFCFEUMR-ZHACJKMWSA-N 469.566 5.416 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1789458215 QDHCVQRDYAWBDH-WMEWVQGBSA-N 493.648 5.288 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1789493719 AVDBMELLNRURGB-JOCHJYFZSA-N 487.625 5.475 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)[nH]4)cc3)CCC2)c1 1789674399 YXNUJHOKGXJXEZ-UHFFFAOYSA-N 470.426 5.106 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3[nH]cnc3-c3cccnc3)cc2)CCC1 1790028959 BYHWHZHZUMIXST-UHFFFAOYSA-N 457.578 5.212 30 20 JKED C[C@@H]1CCc2c(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5Cl)cc4)CCC3)n[nH]c21 1790766961 IIOPCIOUEGPTGW-OAHLLOKOSA-N 473.964 5.046 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(F)cc4)cc3)CCC2)cc1 1791463232 NKBDAIKDXDTZPZ-UHFFFAOYSA-N 455.533 5.272 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@H](NC(=O)OC(C)(C)C)C4)cc3)CCC2)C1 1791564824 YDDXSTHKEXRSIK-XXBNENTESA-N 481.637 5.170 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)CCC2)cc1 1791589337 ZCARJYMUTUORQJ-UHFFFAOYSA-N 467.541 5.497 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCc4cccnc4)cc3)CCC2)c(Cl)c1 1791951129 GWASDKFECRFFSC-UHFFFAOYSA-N 472.976 5.377 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)c(Cl)c3)cc2)CCC1 1792160447 GMZNIHRAKUNKLL-UHFFFAOYSA-N 450.938 5.285 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ncccc13)C2 1798334207 PDHNTESKAONQJM-KIHHCIJBSA-N 480.612 5.317 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)[C@H]2c2cccnc2)C1 1802413099 KZEHYPUJMVCMJE-BWKNWUBXSA-N 478.036 5.219 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)[C@@H]1c1cccnc1 1802496647 RHVVTPCQVILJKL-RCZVLFRGSA-N 472.589 5.049 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1803079888 QJGSTZKUFUKUAU-UHSQPCAPSA-N 482.628 5.037 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1803088032 XJBNYNQCVBWBCZ-OFNKIYASSA-N 471.523 5.188 30 20 JKED C[C@@H](c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)cc1)C(F)(F)F 1803685245 YVXMVMVCLQAIJG-WEOMCHKNSA-N 497.561 5.474 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)COCc3ccc(C)c(C)c3)CC2)C1 1804858527 HRPMLRIJAFRABN-UHFFFAOYSA-N 454.655 5.044 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)COc3c(Cl)cc(Cl)cc3Cl)C2)CC1 1805245685 NBRWUSLZFPYYJC-UHFFFAOYSA-N 499.866 5.450 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CC2)C1 1805458211 AXYFXHYVCOSWFO-UHFFFAOYSA-N 499.095 5.388 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3sc4ccccc4c3Cl)CC2)C1 1806015288 YIDCHNWCFQFPSC-UHFFFAOYSA-N 475.054 5.382 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@H]1c1cccnc1 1808577678 KUWSCVKUVAJCNB-LQBOVUBWSA-N 476.543 5.015 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1809212466 LIIPXGIOMHZVAZ-FIPFOOKPSA-N 498.671 5.613 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1810168594 JPPIDVYQYIRQME-IRBVFMDPSA-N 477.571 5.225 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1810180940 AKPQNSHHVKFPRG-YOSAUDMPSA-N 462.619 5.021 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1810276086 DHYKHMZSKBZBLI-LADVCJOISA-N 481.757 5.355 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c1 1811139092 KAEZANKUKPRRGL-FTGWLVSGSA-N 490.966 5.135 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1811227388 AAOHXGYAKVGWDX-BLFHIAQRSA-N 487.003 5.304 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1811421282 YFZHFAROUKNEAX-LEQUEVMJSA-N 493.051 5.389 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811715771 VNHFLMOPCJEDAD-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811852767 APZGVQOBBLBYIX-IRLDBZIGSA-N 473.539 5.412 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)[C@@H]1c1cccnc1 1812592315 MXAXYSXUUJKTRQ-JKJMAWGESA-N 485.603 5.343 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1812672299 VVUOIIQNHOINGF-GCJKJVERSA-N 496.385 5.238 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1812791869 JDJGRHLMNSTOGW-LSQOFAOZSA-N 451.655 5.318 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)[C@H](c3ccc(F)cc3)C(C)C)[C@H]2c2cccnc2)c1 1812962166 XTOBJKKJHBOVPI-SAAIGDAKSA-N 498.602 5.160 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cncc2Cl)n[nH]1 1814365394 ODAJIAIONJZGLE-KBXCAEBGSA-N 462.381 5.186 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)[nH]n1 1814443844 DLIZVXLOFGACBP-JOCHJYFZSA-N 477.609 5.057 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c1 1814582159 SLDISMNOXLPFHE-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)[nH]n1 1814830319 UCMMCBHOSJCOJL-HXUWFJFHSA-N 497.596 5.424 30 20 JKED N#Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5ccoc5s4)sc3C2)c(Cl)c1 1816692385 ZTLXFPRNNMENBD-ZDUSSCGKSA-N 482.974 5.015 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817739388 RQEDVZKIZRHUDV-ATIYNZHBSA-N 483.616 5.854 30 20 JKED Cc1snc2sc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)cc12 1817830799 GJDXXKVLCPBISH-IBGZPJMESA-N 490.614 5.075 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2Cl)n[nH]1 1820187494 OWQWWOTUJCTARR-UGSOOPFHSA-N 466.916 5.183 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237862 REKOWEQHPVHXGS-HSZRJFAPSA-N 478.593 5.441 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[nH]n2)cc1 1821180292 RBOGNWXBAMPUSX-NRFANRHFSA-N 473.602 5.036 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1821922819 PURWFWBPEXVLRS-OXJNMPFZSA-N 461.591 5.395 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1821923227 VCOHGWBUGRZCST-KKSFZXQISA-N 472.549 5.064 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)[nH]n1 1821923707 NNHIHYBUSKEIHG-NTKDMRAZSA-N 485.588 5.180 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1)NC(=O)OC(C)(C)C 1822983154 SJGPEBBNVURXCR-NUANOYTQSA-N 499.656 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)c1 1823671304 OYLZHGUQYDWMSZ-HXOBKFHXSA-N 499.442 5.563 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823683313 RZZRDSPRSJAVGT-GBXCKJPGSA-N 495.714 5.353 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1 1823811299 CHDBIPDSIHTCRX-SANMLTNESA-N 489.685 5.130 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1824050496 AQHBXMRPTHPMFY-HZFUHODCSA-N 487.619 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1824141638 YPALXDQDBMNSGD-FIPFOOKPSA-N 477.693 5.439 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CC2)CC1)c1ccc(Cl)cc1 1824246274 HKHBKZBBJFEIKX-PKTZIBPZSA-N 456.030 5.003 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1824500377 ICSXVMPPSBDBOA-HSZRJFAPSA-N 472.029 5.037 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1[nH]c3c(Cl)cccc3c1C)CC2 1825252423 DYHFCTAFJTWRCG-GFCCVEGCSA-N 478.952 5.023 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1)C(F)(F)F 1825424163 HUUMFCFUFXJIDY-QHCPKHFHSA-N 473.539 5.342 30 20 JKED Cc1scc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1826183910 IPELNUVFKKCCKB-AVRWGWEMSA-N 463.647 5.539 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CNc3ccccc32)CC1)c1ccccc1 1826922456 SSSDNNULBVNQCP-BOSLPAGOSA-N 483.656 5.013 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)CC1 1827169183 PMQMLWIIUIUEIL-RPLLCQBOSA-N 461.650 5.489 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)cc2n1 1827277625 FWQGMIKXKOMESZ-HSZRJFAPSA-N 490.991 5.208 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)[nH]c2c(Cl)cccc12 1827520688 XFMIYBCBWSFDDW-MSHUQIKOSA-N 495.023 5.075 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1828826739 BGJJFPGGDQHULE-CLJLJLNGSA-N 494.676 5.486 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccnc(C)c2)CC1)c1ccccc1 1829030229 MRRPKTZEINUYDZ-FQLXRVMXSA-N 485.672 5.140 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nccc3occc23)CC1)c1ccccc1 1829033444 UNWOZXWLIXOJBF-RSXGOPAZSA-N 483.612 5.258 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)ccn1 1829249311 MTAHWYIPVOYRFO-SSEXGKCCSA-N 491.635 5.337 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1Cl 1829693310 YSUYGBUXKUTKPE-GVAUOCQISA-N 476.020 5.249 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccn(-c4ccccc4)n3)CC2)c1 1829783207 YHQRVVUGKMRMLX-SKCUWOTOSA-N 495.627 5.046 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)cc1 1830015193 UXKJQTUJVJHELE-RUZDIDTESA-N 487.003 5.307 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)cc1 1830061969 KGYBSMGMHUOMHV-DEOSSOPVSA-N 494.433 5.176 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)Oc3ccc4ccccc4c3)CC2)C1 1830170243 TYWXZLWXLAWYRR-MHZLTWQESA-N 474.645 5.583 30 20 JKED CSCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755472 YZUMOQNTBYHXCN-OAQYLSRUSA-N 495.611 5.200 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 1831298074 ZMHBZRQAFCOCHQ-XMMPIXPASA-N 483.534 5.053 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1831370497 SRIQRIRVEARDAM-GBXCKJPGSA-N 461.046 5.331 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831376545 PUXAPEIMAMGUKJ-JIPXPUAJSA-N 473.617 5.007 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1)C(F)(F)F 1831453810 LPPXWMIJJZSNAZ-GOSISDBHSA-N 471.589 5.228 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1F 1832629127 JVWDHVDYWMMTJN-NLFFAJNJSA-N 461.581 5.308 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 1832629205 LRALJOAJXQRDOQ-AVRWGWEMSA-N 481.999 5.653 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(F)c3F)CC2)c1 1832635650 NLQNQLNTCLKOHG-OSPHWJPCSA-N 483.534 5.278 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)C1 1845558669 RPQRGVQYUATOMP-UHFFFAOYSA-N 469.626 5.151 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)C1 1846431035 HTVVYZLHOIXMFF-UHFFFAOYSA-N 499.049 5.156 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(C(F)(F)F)CC1 1847985823 DAZHQCDHPHUAGJ-SMELUJQZSA-N 480.424 5.029 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570809 FKFFEGYPVSGTTO-OSPHWJPCSA-N 468.026 5.047 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10170512 OUCFHJZPWOFBPI-UHFFFAOYSA-O 479.669 6.913 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10755032 VQKQFELIYMRVTI-UHFFFAOYSA-O 475.996 6.793 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(CO)c1)c1ccc2c(c1)CCC2 10837011 FBRJLOOCVURMRU-UHFFFAOYSA-O 472.417 5.313 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)c3cc(C)n([C@H](C)c4ccccc4)c3C)cnc21 12516111 WPXZSKHTEUQLSM-MRXNPFEDSA-N 464.616 5.086 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15247864 OOOLQLFRCZMTNK-UHFFFAOYSA-O 485.243 6.947 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccccc1OC 17709128 CPPQJNULEPWITK-DEOSSOPVSA-N 490.654 5.508 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)s3)o2)nnc1-c1ccc(F)cc1 18962143 GGVGRIRZXUVCSS-UHFFFAOYSA-N 478.372 5.437 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 22148763 HQBHMPSZWCGKMO-UHFFFAOYSA-N 456.596 6.090 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 22382927 KZTGSQNEDRRXLP-KRWDZBQOSA-N 485.009 5.064 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)c1C 22729356 NLAUVROWKUHXHC-UHFFFAOYSA-O 451.562 5.799 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)nnc1-c1ccccc1 23011095 QHCOXDPVBNXWPQ-UHFFFAOYSA-N 454.555 5.358 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)N(CCC#N)c1ccc(F)cc1 23210646 QAEFXBLZJGYDMX-QGZVFWFLSA-N 490.535 5.091 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nnc1[C@H]1COc2ccccc2O1 23592287 VOIMEWADAHGXMP-JOCHJYFZSA-N 492.626 5.791 30 20 JKED Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 32142123 JKDRCDGPSBHOMQ-UHFFFAOYSA-N 477.568 5.683 30 20 JKED COc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1NC(=O)c1cccnc1 32244428 YYFSVHAMQVHQPN-UHFFFAOYSA-N 478.508 5.045 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(Br)ccc1F 72042168 VQJDRTCGGXIQNS-UHFFFAOYSA-N 452.324 5.376 30 20 JKED C=CCN(C(=O)c1ccc(-n2cccn2)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 105671147 OEOGDAIPHPZYPP-UHFFFAOYSA-N 456.358 5.530 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1 195664236 HUMUOAFFKQCUSQ-QGZVFWFLSA-N 453.976 5.713 30 20 JKED C=CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482250439 YWMZHUPKMAJPMY-UHFFFAOYSA-N 482.521 6.215 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3ccnc(C)n3)c2)nnc1-c1ccc(Cl)cc1 482796911 PTOSTNANQKATQQ-UHFFFAOYSA-N 476.993 5.281 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 497593881 LPOPWATYAVTZPV-UHFFFAOYSA-N 471.830 5.006 30 20 JKED C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nc2cc(Cl)ccc2c1=O 499497631 ZPELHWJAGWBZON-UHFFFAOYSA-N 471.007 5.117 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C)cc1OCCOC 502670305 PDSKWXLNXSYZQA-UHFFFAOYSA-N 451.336 5.142 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2CC)cc1 508140742 BFYXFPYGIAQCDL-UHFFFAOYSA-N 493.405 5.264 30 20 JKED Cc1cc(=O)nc(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)[nH]1 509338372 QELBBWCSCDCJOP-UHFFFAOYSA-N 452.539 5.162 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)[C@@H](C)c1ccc(C#N)cc1 509605282 PMVNZGFYKXEPFQ-INIZCTEOSA-N 485.968 5.375 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1F 511371172 ATIGUOIXPINEJA-RUZDIDTESA-N 469.520 5.115 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 512957853 WWOSMSSVYZVTGQ-CQSZACIVSA-N 496.942 5.835 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1 513149515 VPUXXDJZQMJCHM-GOSISDBHSA-N 460.839 5.831 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 513944778 QWZONSWQLPQFGC-UHFFFAOYSA-N 470.548 5.558 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(Cc4ccccn4)CC3)cc2Cl)cc1 515798528 FEBGTPWDKUKYOK-UHFFFAOYSA-N 461.953 5.185 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3ccc(COc4ccccc4C#N)o3)c2)c1 516008783 JUGAYHZMEPXVNQ-UHFFFAOYSA-N 480.524 5.613 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517461849 QTRUQLFMMZEUOW-UHFFFAOYSA-N 465.497 6.535 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)c1 517528425 YFYSCXGNLCWZLC-UHFFFAOYSA-N 482.565 5.305 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517820150 CZINMBBWNWHTJN-IFXJQAMLSA-N 486.786 6.059 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3[nH]c4ccc(Br)cc4c3Cl)CC2)c1 517859886 SVXCOWDDQZIPDR-UHFFFAOYSA-N 458.743 5.139 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 520854099 DHGZBQUDYMCJRR-INIZCTEOSA-N 478.445 6.115 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)CCc1c(C)nn(CCC#N)c1C 521297238 GZVKZZMFOQCHAA-UHFFFAOYSA-N 497.521 5.564 30 20 JKED C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 522429294 SBVRKDXPEXKJGP-KDYSTLNUSA-N 456.565 5.245 30 20 JKED CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524119984 VGWQORDLOVOUDW-UHFFFAOYSA-N 476.964 5.251 30 20 JKED COCCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 524434124 BXKBZVNCGXZSPM-ZDUSSCGKSA-N 457.399 5.420 30 20 JKED COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 524438154 RKHJIKJTYUXMET-OAQYLSRUSA-N 490.991 5.447 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1 524563130 BOGACNSSAXZBDZ-IRXDYDNUSA-N 478.643 5.495 30 20 JKED COc1c(C)cc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1C 549364522 IURJUUOEZKPROL-UHFFFAOYSA-N 477.948 5.227 30 20 JKED CC(C)(CNC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589225827 XLGOSOABLUOWDD-KBPBESRZSA-N 464.372 5.755 30 20 JKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(Br)c1 608917570 IOVKPBZSPDPZOK-UHFFFAOYSA-N 468.326 5.703 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)nc2ccccc21 609079849 MHDJROMNCVRVAR-HHHXNRCGSA-N 479.584 6.184 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccccc3)cc2Cl)c1 609086902 HMJCWRFGDWVVIR-HSZRJFAPSA-N 459.933 5.093 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)cc2F)c1 609105002 RWFYYJZQBWHIGA-UHFFFAOYSA-N 486.572 5.741 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(c1ccc(C)cn1)C1CCCCC1 609375751 YBYZHZZRUXFWTK-UHFFFAOYSA-N 472.383 5.168 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 609381321 AHKXAVQOIBJQPV-OAQYLSRUSA-N 482.378 5.333 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCCc3cccc(C(F)(F)F)c3)cc2)c1 609438374 LOIJROOJVNNUFH-UHFFFAOYSA-N 467.447 5.057 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1[C@@H]1COc2ccccc2O1 612653225 XUQQNPJZRBUOET-JTSKRJEESA-N 492.601 5.079 30 20 JKED O=C(NCc1ccc(OCc2cccc(F)c2)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618551875 OCGPIBYOFHDRTC-IRXDYDNUSA-N 478.408 5.677 30 20 JKED CCOC(=O)c1c(NC(=O)CCc2ccc(C#N)cc2)sc(C(=O)Nc2ccc(C)cc2C)c1C 619136118 DGJPLLTYQRZXTA-UHFFFAOYSA-N 489.597 5.545 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1 669909684 JRLBGVCLOZNICO-ZDUSSCGKSA-N 465.381 5.547 30 20 JKED Cn1c([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)nc2ccccc21 726270154 WYYUCEXPUGJSIG-NAKRPHOHSA-N 471.564 6.140 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CC[C@@H](C)OC 726393393 ODCRAZUSJOYLAW-XXBNENTESA-N 467.635 5.251 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CC3)C2=O)cc1 726406750 METWSQIXTXRAHQ-OAQYLSRUSA-N 482.993 5.123 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccs1)c1cccs1 726419724 GQUDSNJBMWJJRZ-KHANYUJCSA-N 491.610 5.678 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(CC)Cc2ccoc2)ccc1Cl 726512111 QHAACRFDRGOENC-UHFFFAOYSA-N 476.957 5.116 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 726688928 HIASUTOLWQWBCO-UHFFFAOYSA-N 470.268 5.444 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 727134005 ULEROLYBUNVEDK-NMNUPHIUSA-N 476.577 5.561 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c1 728776723 DQOCJQBKNRUWHO-NRFANRHFSA-N 452.555 5.097 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CCCCC#N)c1cccs1 728778789 UUORZQNJAVWVNC-VTPWXYDOSA-N 493.029 5.624 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)c1Cl 728778917 VZZMYYMNZYBJNK-SFHVURJKSA-N 489.428 5.956 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 729146581 UANWBBDQTUVDBP-IBGZPJMESA-N 496.017 5.137 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cc(F)ccc2F)cc1 729634901 WHABTDWRAYJVIO-JOCHJYFZSA-N 499.514 5.273 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(C(C)(C)C)cc2)c1 729667299 BDLMLXHPJZHGMR-UHFFFAOYSA-O 487.601 5.855 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c1 729668172 FHRZUOAEZRALPS-UHFFFAOYSA-O 469.558 5.150 30 20 JKED N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1 729890363 ZAOJDBWWYCANTR-HSZRJFAPSA-N 454.917 5.083 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)NC2CC2)C(=O)N1[C@@H](C)c1cccnc1)c1ccc(Cl)cc1Cl 730945374 QSEWLXBSMYUOKY-WSNLHSFUSA-N 491.444 5.179 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cccs2)cc1 731125287 CDNWVZALUNTUDI-DFBJGRDBSA-N 491.682 6.043 30 20 JKED N#C[C@H](NC(=O)c1ccc(I)cc1Cl)c1cccc(Cl)c1Cl 731196025 UGHHSKMKVPBQRF-ZDUSSCGKSA-N 465.505 5.246 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)cc1 745303011 SOFSSRQCHTVHDE-XCZPVHLTSA-N 493.994 6.034 30 20 JKED CC(=O)Nc1cccc(Nc2nn(CN(Cc3ccc(C#N)cc3)C(C)C)c(=S)s2)c1 746033387 QPZSGLMAYLNITE-UHFFFAOYSA-N 452.609 5.116 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 749361407 ZWGHGZPSCSGRGW-UHFFFAOYSA-N 452.562 5.121 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1c(C)cc(C)cc1Cl 799223311 HNIQFVJANXTZOE-GOSISDBHSA-N 493.938 5.569 30 20 JKED N#C[C@@H](C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1nc(-c2ccccc2)cs1 807850080 HZVNXWPUHXMBMT-AWEZNQCLSA-N 452.542 5.297 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 821744594 YXWIYTXWUWHGIF-UHFFFAOYSA-N 451.914 5.280 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)c([N+](=O)[O-])c1 837301663 CWIJVPQQIYWTRD-HXUWFJFHSA-N 498.561 5.264 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1cccnc1 837328350 YINGILRIQHXQPV-OPAMFIHVSA-N 496.995 5.904 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837886083 IQMSNBZCGQSJIT-AOMKIAJQSA-N 495.004 5.465 30 20 JKED O=C(COC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 843419923 GMLFUSGVMUIEIJ-AATRIKPKSA-N 485.302 5.938 30 20 JKED Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 849132750 VZUSACUXKVCDMK-MRXNPFEDSA-N 496.570 5.003 30 20 JKED O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H](F)c1ccc(C(F)(F)F)cc1 857467482 FFPRSNACJPILFH-UKRRQHHQSA-N 469.788 5.178 30 20 JKED CC(C)OCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)cc1 914548957 WLHASONVCFQZNU-QFIPXVFZSA-N 486.037 5.065 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1 914549005 XHNZPDKYJPVJCR-VGSWGCGISA-N 479.005 5.134 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)s2)cc1OC 915085720 APWXOHYMOBOERO-QFIPXVFZSA-N 469.566 6.044 30 20 JKED COc1ccc(-c2noc(CCCC(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)n2)cc1 915100593 WFPMFKACXZBCOH-HXUWFJFHSA-N 458.543 5.376 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915103861 GZPIQVITUVOWDB-WMHRWZGDSA-N 483.515 5.443 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccc(Br)c2)C2CC2)cc1 915353324 MWPCTGQTQQCMGY-DEOSSOPVSA-N 460.375 6.301 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)cs1 915354207 XLFVBDRXTPCVCL-AVRWGWEMSA-N 452.583 6.657 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccccn3)C2=O)cc1 916216186 RABAGRDHCNITMY-DEOSSOPVSA-N 486.597 5.062 30 20 JKED COc1cccc(-c2nc(C=Nn3c(C)nc4scc(-c5ccc(Cl)cc5)c4c3=O)cs2)c1 916273188 VGPMACKYHCVQCW-UHFFFAOYSA-N 493.013 6.101 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1ccc(-c2nc3ccccc3s2)o1 916283614 KHKYOKFPRSGEHE-UHFFFAOYSA-N 468.450 5.248 30 20 JKED CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 916720825 QAWURDKEHSOSRX-UHFFFAOYSA-N 451.530 5.181 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916845941 YWOYILJUFMOHJY-BMWLXYDHSA-N 477.895 5.838 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916905059 LQJZNCSAGGSADJ-OAQYLSRUSA-N 471.513 5.787 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 916925113 GJACLONURIBMEG-QFIPXVFZSA-N 487.506 5.792 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 916949047 LCFGVWOZTRKILB-KBMIEXCESA-N 482.609 6.101 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCNC(=O)Nc3ccc(Br)cc3)n2)cc1 916974803 RETBLAKDEVCVIO-GOSISDBHSA-N 483.391 5.269 30 20 JKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 917020624 JMECDMOOOIMFLU-OAHLLOKOSA-N 475.401 5.130 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2ccc(Br)cc2)c1=S 917487510 RMCXDMFRWMIELP-LJQANCHMSA-N 456.413 5.219 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2cc(Br)ccc2OC(F)F)cc1 917517807 KZSFJRTXSUTMPP-YWEYNIOJSA-N 463.278 5.259 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 917653888 XNIONSQRIPJLBM-JOCHJYFZSA-N 483.540 5.115 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cccc(C)n3)C2=O)cc1 917668511 AIBBWBWMXYPIPM-XMMPIXPASA-N 488.613 5.258 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)CCOc4ccccc4)C3)n2)cc1 919665568 CBGIOQDVAXJJOW-JTHBVZDNSA-N 473.598 5.003 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C4SCCCS4)cc3)n2)cc1 920139862 ZVPKAYYVLFIHHK-LJQANCHMSA-N 452.626 6.177 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)C2)c1 920141186 MVXZRFASDAZRSC-FYYLOGMGSA-N 468.582 5.027 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@H]2CCCC[C@H]2c2ccccc2)C1=O 920169758 IGYBMEGZXGSEIR-ACRUOGEOSA-N 487.572 5.082 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3c(c2)CCC3)n1 920175919 NELPBUXMEUEBAZ-DEOSSOPVSA-N 470.598 5.039 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)c3c(C)noc3n2)c(C)o1 928667709 HXHBPECPGFILRA-UHFFFAOYSA-N 492.919 5.165 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)C1 1782035981 KOMGXSYKHVXFSA-RUZDIDTESA-N 493.570 5.017 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)cc1 1786334465 XSQZDFMBBAKSTL-IZZNHLLZSA-N 465.553 5.118 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc2)CCC1 1786557493 FMAGEOCJWQNNFT-UHFFFAOYSA-N 469.626 5.192 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786678165 HHZPBTIJNXCSCM-GVUKDKGQSA-N 475.658 5.418 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)F)c4)cc3)CCC2)cc1 1787014655 WNVHBCZNDZWNTA-UHFFFAOYSA-N 474.511 5.271 30 20 JKED Cc1ccccc1NCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1788110282 MMOQMLDMDOYAHF-UHFFFAOYSA-N 472.976 5.380 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cccs3)cc2)CCC1 1788230428 ASKPZEMQHVEFDO-JOCHJYFZSA-N 497.661 5.284 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncccc5c4)cc3)CCC2)c1 1788908210 OIYCOFTYXLDYAE-UHFFFAOYSA-N 476.536 5.177 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(OC)cc4[nH]3)CCC2)cc1 1789454082 PCCMDLZVIGAHOA-HSZRJFAPSA-N 457.574 5.693 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)c1 1789875559 USLIARIZFVTZLG-UHFFFAOYSA-N 492.501 5.353 30 20 JKED C[C@H](Cc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790082773 OOIIHQWXKRLPMK-GOSISDBHSA-N 472.976 5.233 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCCCCCC(=O)OC(C)(C)C)cc2)CCC1 1790560247 FOEZQWZSEPANPL-UHFFFAOYSA-N 454.611 5.216 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1790567583 MUBWERSIWBNZIJ-IBGZPJMESA-N 498.583 5.977 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)CC4)cc2)CCC1 1790980814 PTZDCXOATAREKT-QHCPKHFHSA-N 457.574 5.087 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(CNC(=O)OC(C)(C)C)ccn3)CCC2)cc1 1791243545 SYQHIFJPMTWWAI-IBGZPJMESA-N 492.620 5.066 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)nc3)CCC2)cc1 1791299715 BLZQUQUEDUHCJJ-UHFFFAOYSA-N 453.411 5.060 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CC4CC5(C4)CN(C(=O)OC(C)(C)C)C5)cc3)CCC2)C1 1791409312 SKQDEGSAFAIPFZ-UHFFFAOYSA-N 493.648 5.124 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)cc2)CCC1 1791439384 MSQYXVNAEVLIBM-ZTOMLWHTSA-N 471.601 5.023 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1)c1ccc(O)cc1 1791646590 CVQMCMMYESZPEV-NHCUHLMSSA-N 480.555 5.459 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4C(F)(F)F)CCC3)cc2)c1 1792125357 WKOOVEHSWNHQMY-QGZVFWFLSA-N 492.501 5.789 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)ccc(O)c4F)CCC3)cc2)c1 1792127402 XTFXPJHQENQXSF-MRXNPFEDSA-N 475.495 5.359 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nc[nH]c5c4)CCC3)cc2)cc1C#N 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JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1803084689 VCXPTKMNPGMCTG-PYHNJFEDSA-N 469.585 5.315 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1803601611 NNSLQJVEDNKQHX-BYXVTNLJSA-N 489.641 5.148 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)cccc1C(F)(F)F 1803682680 KKFNQAPKGYPJBQ-HUJKARHJSA-N 469.507 5.207 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1)c1ccccc1 1809161077 CPBGWEXHBRTMPA-NVQXNPDNSA-N 457.618 5.233 30 20 JKED Cc1cc2cccc(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)c2[nH]1 1809272539 GZFMEYFDUSUIEK-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cc4ccc(F)cc4)cc3)[C@@H]2c2cccnc2)C1 1810511548 QXBMYLNYYUDLMU-NAKRPHOHSA-N 483.587 5.097 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810718564 KPNXJBDLGFCDEY-WNCULLNHSA-N 487.625 5.113 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1811412264 IPOOBWZPDFWUAR-HFZDXXHNSA-N 461.650 5.572 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc(F)cc2)[C@H]1c1cccnc1 1811551444 KRLNYWRMACWYMJ-RBJSKKJNSA-N 498.602 5.371 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1811954832 OLPQOSSFTOPCBL-OZXSUGGESA-N 487.003 5.363 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Cc2ccc(F)cc2)[C@H]1c1cccnc1 1812473242 ZRJIJPYJSFCLLX-QUURXOELSA-N 465.613 5.098 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1812669664 ACCSZNICTYYWSV-AVRDEDQJSA-N 494.567 5.080 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1813228626 DETCTSQYGBDYNX-QFQXNSOFSA-N 486.443 5.221 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c(Cl)c1 1813831271 VCODWMOAWGHCBS-GJZUVCINSA-N 496.127 5.414 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1813971424 QIRKSWBRPYMSMP-NOXFTYBFSA-N 489.513 5.328 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4ccccc4c3Br)[nH]n2)C1 1814397592 NZPOJMCJDMLHKY-OAQYLSRUSA-N 493.405 5.598 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)ccc2[nH]1 1818117473 SPEARNYVADXJJV-GLCJEOIMSA-N 487.585 5.006 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3[nH]2)n[nH]1 1818988191 STWGXYVGAYOAQO-AOMKIAJQSA-N 467.520 5.244 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(OC)ccc3o2)n[nH]1 1818999928 LSUIKCVRYZVSGF-HXUWFJFHSA-N 464.566 5.463 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)[nH]n1 1819309559 CYXQGBYAVXZYNC-HYBUGGRVSA-N 477.584 5.423 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)[nH]n1 1819310843 BYPOPJVBAVKUOO-PGRDOPGGSA-N 484.000 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)[nH]n1 1819311264 SLSRUYWLXZLUMN-KXBFYZLASA-N 462.928 5.416 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1819368223 JVLOHLMTRNPQHE-QNWVGRARSA-N 487.044 5.068 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)n[nH]1 1819369278 RUGUXNHMMSDPOW-LAUBAEHRSA-N 481.597 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)n[nH]1 1819413279 NTBZZOGRLNTRSR-QQUTXWOLSA-N 464.635 5.282 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)n[nH]1 1820171777 OVOWBDUUMDGNMW-AWEZNQCLSA-N 485.869 5.077 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(F)c(F)c3)CC2)n[nH]1 1820688602 JTWHBAYELNMMDC-XMSQKQJNSA-N 468.548 5.180 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(C)cc3)CCCCC2)[nH]n1 1820976329 ILHNXINYYRKJLJ-ZJSXRUAMSA-N 493.652 5.413 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CC=CCC1 1821310501 ADCZVSWPWRCFAW-HYBUGGRVSA-N 485.510 5.352 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821570066 XVFYLKWETORLJA-IBGZPJMESA-N 473.911 5.129 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821856913 MQHRYFUUBQNDJV-ODOSVJCGSA-N 488.032 5.296 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)[nH]n1)C(F)(F)F 1821993457 ZZWAAVCYNXLFFK-OAHLLOKOSA-N 492.832 5.089 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)[nH]n1 1822583258 KXNGGBOSOIPPQI-SJBKTWHCSA-N 497.437 5.162 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1F 1823212273 HTZRWDHSQXDPIU-HTAPYJJXSA-N 459.525 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3csc4c3CCCO4)[nH]n2)c1 1823212952 QSJMUMPQQIOTJC-OPAMFIHVSA-N 489.601 5.043 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)c(Cl)c3)n[nH]2)CCC1 1823310509 FHTNWZXYAQIDHP-MRXNPFEDSA-N 480.783 5.370 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(Cl)ccc3Br)CC2)C1 1823702894 CQYQEBBBDZRZKM-QFIPXVFZSA-N 493.873 5.231 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nn2-c2ccccc2)CC1 1823753007 RVJGHUDWCLPWLP-VWLOTQADSA-N 476.665 5.406 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ncccc23)CC1 1823754795 CDDOCNIJTWQDGZ-XMMPIXPASA-N 464.654 5.108 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1824051645 VWLRDKOJDFYRQW-MHZLTWQESA-N 496.611 5.079 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)ccc(F)c1F 1824054068 FVYHHEUZGFQVOL-VWLOTQADSA-N 479.571 5.011 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1824137244 CLFUCQKIIITPFY-LVXARBLLSA-N 452.639 5.187 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1824540795 PAMQRTMSJOATEW-NOZRDPDXSA-N 483.653 5.075 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 1824955557 KCXVESHCIPEFQX-YMVVMYQSSA-N 456.696 5.355 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825961185 QBLXDLQTMMEHHU-FPOVZHCZSA-N 466.544 5.609 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1)NC(=O)OC(C)(C)C 1826263790 IPIDQSDKMRRTFW-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cccc(Br)c3)cc2)CC1 1826320516 BSDWYVJSUBWRQS-DEOSSOPVSA-N 494.433 5.263 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828098187 XLIXRGDIMRNAKN-ZJSXRUAMSA-N 465.663 5.606 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828168512 CCMDQYOZSFKHFT-HFZDXXHNSA-N 461.650 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828828109 CXZIHWSFQZBNMQ-CPJSRVTESA-N 469.576 5.448 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1828828613 NSYHYCFGXPBALW-NFBKMPQASA-N 451.636 5.298 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2ccncc2)CC1)c1ccccc1 1829034832 FJBKBTOGAVSVPE-OFQAEJFBSA-N 485.672 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1829069025 FRMPFYBONZXLEG-JOCHJYFZSA-N 471.045 5.442 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829571872 HKMNYWAIPAQRSN-NVQXNPDNSA-N 493.673 5.616 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1829955002 BIGBUFAJCQXNJJ-XMMPIXPASA-N 474.992 5.240 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)c1 1829955025 WTMNVLGXNCUGRK-MUUNZHRXSA-N 478.596 5.167 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830476875 SNGDRHPFMLSPRA-HSZRJFAPSA-N 471.935 5.037 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)CC1 1830558894 MZGYEVOHMYYRLQ-JOCHJYFZSA-N 493.873 5.529 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830723092 DMHRKWAOQCJQDM-VWLOTQADSA-N 481.999 5.135 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830750581 HPUZNOHWOOPDRE-RBTNQOKQSA-N 469.629 5.738 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1831562466 PJLLWUMUSPELHY-ZRJLEYOISA-N 463.666 5.183 30 20 JKED CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CCCCC1 1831793966 TXMXWTUZHLEYSP-RQWLHQTBSA-N 456.652 5.077 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1831842072 IMDOFZUNURBWNS-AOMKIAJQSA-N 489.479 5.154 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1)c1ccc(O)cc1 1831924132 FAVNPYIOEPRABK-WXVAWEFUSA-N 494.582 5.101 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1832549000 ZYFKMYLAFYCDAE-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cnc4[nH]ccc4c3)CC2)c1 1832633981 MWESFDSQDOMYIE-ZBLYBZFDSA-N 497.643 5.056 30 20 JKED C[C@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634742 VOKVZSREXIJRTO-IWHLBADBSA-N 471.645 5.426 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CC(C)(C)C3)CC2)cc1C#N 1832704008 BRGARSWDGYAUIL-DEOSSOPVSA-N 465.638 5.015 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1845981006 WQSPBLFJDLWFSY-HWELCPFYSA-N 477.624 5.453 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)c1ccccc1CSc1ccccc1)C2 1846012668 ZOWYBLRFKSKPNJ-UHFFFAOYSA-N 456.558 5.007 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)ccc1Br 1847263639 GMLCTXCDZUJOBC-ROUUACIJSA-N 498.259 5.019 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cccc(Br)c2)cc1 11084838 YRZMTCOFSYVPLR-UHFFFAOYSA-O 482.467 6.275 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)OCc2coc(-c3cccs3)n2)c1 11683860 BLTHAOBGFCNBGX-UHFFFAOYSA-N 475.551 5.363 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cccc(Br)c2)c1 15247717 IIAAYYMCCSXJEO-UHFFFAOYSA-O 468.440 6.021 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(OC)cc2)cc1 22731308 KMKIFLHQEBUGBA-UHFFFAOYSA-O 467.680 6.616 30 20 JKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1cccc(N2CCCC2=O)c1 22938956 NMPDUXQJRTWQCI-SFHVURJKSA-N 485.565 5.020 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 23998148 IIUSNMVQHLBRSE-HZPDHXFCSA-N 456.999 5.151 30 20 JKED COc1ccc(-n2c(S[C@H](C#N)Cc3ccc(C)cc3)nnc2-c2ccccc2OC)cc1 71798040 NTTFYEMPWOCNEU-QFIPXVFZSA-N 456.571 5.487 30 20 JKED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 104898199 RNQNUPLYTREDCJ-UHFFFAOYSA-N 491.591 5.608 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2ncc(-c3ccc(F)cc3)o2)n(Cc2ccco2)c1C 253478246 KAAIIGUAYZXCFG-UHFFFAOYSA-N 464.522 5.533 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2)n1 303180450 KPXOAKBAQSTQKU-UHFFFAOYSA-N 450.542 5.560 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)cc1 409821704 TZRWBSLEZYWOQO-JOCHJYFZSA-N 483.337 5.263 30 20 JKED C=CCN(C(=O)CCn1ncc(=O)c2ccccc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476180178 XJUQMHSKEPQVJH-UHFFFAOYSA-N 485.396 5.436 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(C(F)(F)F)cc1 481471966 LMNGOUGRVZLBIK-HNNXBMFYSA-N 485.437 5.111 30 20 JKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481690110 UUVLWRZKVGDCSD-GOSISDBHSA-N 470.508 5.082 30 20 JKED C=CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502955915 JQTZFPLCNQXDHO-OAHLLOKOSA-N 476.385 5.278 30 20 JKED CC[C@H](C)n1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccccc1 504307990 VXJXNGSCFWLAOG-INIZCTEOSA-N 465.648 5.849 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccnc(OC4CCCCC4)c3)s2)cc1 506662497 OBQLHPZHXPLLKR-UHFFFAOYSA-N 480.619 5.130 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccn2)C2CC2)nnc1-c1ccc(Cl)cc1Cl 508053855 KYCKPYBJBWNVMO-UHFFFAOYSA-N 474.417 5.116 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2SCc2csc(C)n2)cc1 508460008 WYZZDLHMEQOQJK-UHFFFAOYSA-N 487.606 6.669 30 20 JKED CCOc1ccc(CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C(C)C)cc1 509194081 GKRMRNRYMDKWFI-UHFFFAOYSA-N 467.620 5.543 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510009794 LSWMWERPSGQGBO-AREMUKBSSA-N 484.003 5.607 30 20 JKED CN(Cc1ccc(Br)o1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510046834 YZEHHCUFMJJKQC-GOSISDBHSA-N 458.743 6.015 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 512485928 JSMNNRCGYJQDRU-LJQANCHMSA-N 477.609 5.108 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 514990639 LNYOAPTWCDJDFE-UHFFFAOYSA-N 455.543 5.025 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(OC)c1 516269908 CSCVJPWFXKFKQC-HXUWFJFHSA-N 464.481 5.188 30 20 JKED C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 517077390 NFAZJBAKAUAOPP-OAQYLSRUSA-N 498.652 5.916 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)c2)cc1 517127372 CQPLQUCWQRFRJQ-UHFFFAOYSA-N 494.473 5.359 30 20 JKED CCCCc1c(C)nc2nc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)nn2c1C 517447886 VVCWNWUMZDAMMH-HNNXBMFYSA-N 468.652 5.209 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)c2)cc1 517905601 LJSVBJIRCOTZMK-HXUWFJFHSA-N 483.503 5.951 30 20 JKED Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)c1 517907655 KWFXOTATKSGCIJ-HXUWFJFHSA-N 457.599 5.267 30 20 JKED C=CCOc1c(Br)cc(CNCC2(c3cc(C)ccc3OC)CCOCC2)cc1OC 518780641 ZXKZSEHGCJRJJV-UHFFFAOYSA-N 490.438 5.178 30 20 JKED Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 518854119 XZGBSTXFHFWTNT-FQEVSTJZSA-N 473.598 5.103 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 519432980 KLOJLPGFQTVQJZ-LBPRGKRZSA-N 465.888 5.444 30 20 JKED CCOc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC(F)F 522327819 ZEAUMNKVCNJUFD-UHFFFAOYSA-N 483.490 5.609 30 20 JKED CN(C(=O)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1)C1CCCCC1 523274304 ZRTZRMYFDWTWCD-UHFFFAOYSA-N 457.530 5.387 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCc4cc(OC(F)F)ccc43)cc2)c1 553680494 OTBGUVKZAJUJSD-QHCPKHFHSA-N 477.467 5.084 30 20 JKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)C1 553962313 KXZVAYXYKOXIPQ-UGKGYDQZSA-N 489.576 5.256 30 20 JKED CC(C)NS(=O)(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 574657533 SAXBIOFAOVFLNK-UHFFFAOYSA-N 498.992 5.012 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC[C@H](O)COc1ccc(C#N)cc1 577409805 JYYGTGGGFMQDCK-HSZRJFAPSA-N 482.536 5.100 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OC(F)F)cc2)c1 599686908 YFEFJNVCSAGCKR-UHFFFAOYSA-N 453.470 5.143 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603449253 IGHZXBHXYMLFJS-UHFFFAOYSA-N 477.571 5.138 30 20 JKED CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1ccc(C#N)cc1 603529444 AKBJTBXUWOWHPQ-UHFFFAOYSA-N 473.598 5.003 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 603622741 XTQZJEZJGYJPKH-UHFFFAOYSA-N 498.564 5.213 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(SCc4cn5ccccc5n4)cc3)cn2)c1 603624147 SQDPTHMNEFPRLF-UHFFFAOYSA-N 477.549 5.938 30 20 JKED CCCc1ccc([C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2cccs2)cc1 603795496 GZXKEGSWESUONV-HSZRJFAPSA-N 475.618 5.059 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCc3ccc(C(F)(F)F)cc3)cc2Cl)cc1 604131370 LNVIATKCKLBBDL-UHFFFAOYSA-N 487.865 5.320 30 20 JKED N#Cc1ccc(NCC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1 604447084 KXYAHZKECNVPHF-UHFFFAOYSA-N 450.376 5.059 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 604562217 SZZVIMPEAGNKSY-SFHVURJKSA-N 478.499 5.285 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCC3)cc2Cl)c1 609080587 PAZWOTAJPLRXKR-JOCHJYFZSA-N 464.953 5.342 30 20 JKED Cc1cccc(COc2ccc([C@H](C)NC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c1 609439767 WZADPTWPVPYBAX-RTWAWAEBSA-N 487.625 5.784 30 20 JKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613346266 GJDLNHAJFGHPMU-PJSAGSTRSA-N 470.381 6.201 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 622468518 HXRMOKCLFOZZPI-INIZCTEOSA-N 469.328 5.539 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccc2)cn1 726118198 JXPFDVUYGSQSJU-DEOSSOPVSA-N 483.597 5.217 30 20 JKED CC(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)S/C2=N\[C@@H](C)c2cccs2)CC1 726419116 CQSXSQCJBSYVCN-NBPTVTIOSA-N 484.691 5.011 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cc(F)ccc1F 726570751 KMJZVAMXNVMMBJ-UHFFFAOYSA-O 456.925 5.663 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(CNC(C)=O)s2)cc1 726571310 RZRXVCSOUPHXKA-UHFFFAOYSA-O 498.053 5.082 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 727628295 UNUPITHTIYLCKR-QFIPXVFZSA-N 493.032 5.604 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)o1 727762105 GZWIDCDSPNQPJD-VWLOTQADSA-N 452.510 5.649 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)cc1C 728776345 PRMOBLCLSGUQPB-QHCPKHFHSA-N 477.634 5.024 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CCCCC#N)C2=O)cc1 728780047 MZAMGESSSPHUSU-NRFANRHFSA-N 479.993 5.174 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3scnc3C)C2=O)cc1 729144144 CBZKKKXSZDVJLB-HXUWFJFHSA-N 482.606 5.368 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N([C@@H](c2ccccc2)C2CCC2)C1=O 729145931 NMMGOIWGSHUWKE-VWNXMTODSA-N 465.619 5.083 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)cc1 729146076 PGGRLFSBHYWYSM-FQEVSTJZSA-N 498.605 5.150 30 20 JKED CN(C(=O)c1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 729558465 FGJGZNNJFSVYIH-UHFFFAOYSA-N 460.578 5.038 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1C 729632167 YSMXMCCQIOUOAR-QHCPKHFHSA-N 493.032 5.190 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c1 729634513 NHPKVIFNLXFXDT-HSZRJFAPSA-N 494.567 5.446 30 20 JKED CN(C(=O)CNc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)C1(C#N)CCCCC1 729675966 YAZDEGUEHJGADP-UHFFFAOYSA-N 454.493 5.149 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729888925 KLUDFIODLHBGND-LLVKDONJSA-N 467.761 6.221 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)cc1 730462496 NQQSWPPLXSUTAZ-OAQYLSRUSA-N 473.545 5.265 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)cc1F 730719286 YTAYBNSMFQOTLY-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc3ccccc3c2)s1 730723718 IIAOCHDUVWKNKP-OAQYLSRUSA-N 487.610 5.160 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730943526 FDAFCJYRSWHOKV-MBSDFSHPSA-N 476.577 5.559 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731073969 LFJSNXWGJWQUHW-HNNXBMFYSA-N 483.590 5.371 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(Br)cc2n1 731074478 OBHVQIKPMCQQKZ-OAHLLOKOSA-N 498.402 5.496 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c1 731305678 GBPJKAIPYRWMJH-JPYJTQIMSA-N 474.586 5.126 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731306186 STNGJUDHJHQSHT-YCRPNKLZSA-N 480.977 5.162 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(C3CCCC3)C2=O)c1 743524548 KTFXWKNIUHDINH-QFIPXVFZSA-N 485.581 5.054 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCc3nccs3)C2=O)c1 747602317 ZNGFUGFASJMCGM-HXUWFJFHSA-N 499.061 5.616 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(N2CCCCC2=O)cc1 749180011 YILMKIGEJPLPQX-UHFFFAOYSA-N 474.374 5.003 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(F)c(Cl)c1 799215900 XLDCZDFZYOOUDN-IBGZPJMESA-N 494.375 5.043 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 837704253 KQYVQGPIIQIANI-IERDGZPVSA-N 464.978 5.457 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N([C@H](C)c2ccccn2)C1=O 837832470 POHMFHYQQJAPAF-WZONZLPQSA-N 474.586 5.120 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1OC 856825900 CYWFHPLVZDLCNK-BMRADRMJSA-N 483.608 5.448 30 20 JKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NCc3cc(C#N)ccc3Br)cc2Cl)n1 864007942 BFGOFGULTGCEDG-HNNXBMFYSA-N 486.801 5.599 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CC1 904511001 RABHJWFSOQLECV-UHFFFAOYSA-N 498.474 5.567 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2ccc(Cl)cc2Cl)n(Cc2ccco2)c1C 912870326 QDHGXJKFLOCMSH-UHFFFAOYSA-N 474.344 5.039 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3OC)N(Cc3sccc3C)C2=O)c1 914556663 HZXXGKXKXVFBHW-OAQYLSRUSA-N 495.626 5.234 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2sc3nccc(C)c3c2C)n(C2CCCC2)c1C 914918624 LGGOKAMLBIAYEC-UHFFFAOYSA-N 450.564 5.114 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cn3c(SC(F)F)nc4ccccc43)cn2)c1 915198298 DHGRLLFNKPOFSK-UHFFFAOYSA-N 451.458 5.049 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccc2)c1 916205161 HXUNUZWABJDAHD-HSZRJFAPSA-N 477.561 5.037 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 916210296 ZYHCTJLLKNPRJK-QHCPKHFHSA-N 479.577 5.366 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2SCc2ccccc2)c1)c1ccccc1Cl 916368924 VPUZVBGQMDEGGS-UHFFFAOYSA-N 480.018 5.647 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546302 KPWLRKLWMOHUFG-UHFFFAOYSA-N 491.835 5.966 30 20 JKED CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 916720319 IKLZZCFDXHPQOH-UHFFFAOYSA-N 456.590 5.842 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)o1 916906812 UIVPXBGUXMEYCZ-LJQANCHMSA-N 457.511 5.394 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 916913970 IVWQYALSAJOKDP-NRFANRHFSA-N 451.979 5.696 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916915802 PJTOUOWSBKXMBR-RUZDIDTESA-N 497.576 5.016 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)n2)cc1 916975027 VAIPJJIHLVSRIP-YJBOKZPZSA-N 488.638 5.763 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Br 917042417 BSJCYBCTTBEHTJ-ZDUSSCGKSA-N 483.309 5.895 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046266 IUAGWHRMLVTRNI-DOTOQJQBSA-N 474.369 5.093 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=Nn1c(S)nnc1-c1ccc(OC(F)F)cc1 917537579 NRRKYEWNBXBOBG-UHFFFAOYSA-N 474.924 5.173 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(SC3CCCC3)cc2)cs1 917560620 TUICAMXMSBBNSZ-WJDWOHSUSA-N 462.640 7.067 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C)s2)cc1 917685193 VKYDRFJRPCPGAP-QFIPXVFZSA-N 495.626 5.234 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccsc2)c1 917689963 RPBJVUDXDLDBBU-QFIPXVFZSA-N 479.627 5.480 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCN(C3CC3)CC2)C1=O)Nc1ccccc1 917700148 ILZFERDMDHDIOP-AREMUKBSSA-N 498.652 5.427 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 918035949 PZWKUWSCMNLZQS-AREMUKBSSA-N 458.606 5.379 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cs1)c1ccc(C)cc1C 919638041 RFVGMDWQBOGCQK-XMMPIXPASA-N 477.586 5.463 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(F)c(F)c2)ccc1Cl 919862388 YPRRVTLCGQEGQD-UHFFFAOYSA-N 476.932 5.276 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1c(C)noc1C 920353885 VWRGVDIKEHNLBH-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1c(NC(=S)NN=C(CCC(C)C)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 920361000 ZNSXUJUFSTYWSE-UHFFFAOYSA-N 470.042 5.265 30 20 JKED Cc1ccc(NC(=O)COC(=O)c2cccc(OCc3ccccc3C#N)c2)c(Br)c1 920635544 IKVBNXKEKVIXNZ-UHFFFAOYSA-N 479.330 5.004 30 20 JKED N#C[C@@H](COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Cc1ccc(F)cc1 920879718 JEGDQWODWDUKEP-YADARESESA-N 464.924 5.266 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)ncc3Cl)cc2)CCC1 1786980843 OTPGIHPNDZRUPJ-UHFFFAOYSA-N 474.786 5.049 30 20 JKED Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)/C=C/C(=O)c5cccs5)CCC4)cc3)c2[nH]1 1789018849 XPBXDPFBTNGCRI-OUKQBFOZSA-N 483.593 5.725 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc5ncoc5c4)cc3)CCC2)cc1 1789075741 LCRLBZZVHUPMGF-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3COc4ccccc4O3)CCC2)cc1 1789449159 OIKJRHYCSDGBDI-XZOQPEGZSA-N 460.574 5.119 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4nccn4c3)CCC2)cc1 1789508114 NKKMSRLFEZGCKN-UHFFFAOYSA-N 472.665 5.133 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1790345239 MSQODPYZVJQBFS-UHFFFAOYSA-N 473.960 5.476 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccoc4)CCC3)cc2)ccc1Br 1790746592 HDYXHUUPWGWURI-UHFFFAOYSA-N 492.373 5.294 30 20 JKED CCc1nc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)co1 1790785273 ZHWWSETUNPNLOE-UHFFFAOYSA-N 482.462 5.189 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)[nH]4)CCC3)cc2)c1 1790795860 CEVGFSZMJDVGGG-UHFFFAOYSA-N 466.463 5.275 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1)C(F)(F)F 1791303486 ZPYPXZDWASXROB-UHFFFAOYSA-N 479.911 5.816 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(ccc5ncccc54)s3)CCC2)cc1 1791578220 ZVXAMLJSKUAQBR-OAHLLOKOSA-N 461.612 5.516 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791585048 XZHCNNLGJOVWGF-UHFFFAOYSA-N 495.664 5.351 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4CNc5ccccc5O4)CCC3)cc2)c1 1792124777 HNNJBPHBXFFLDK-NBGIEHNGSA-N 494.595 5.325 30 20 JKED Cc1cccc2cc(C(=O)NC3(c4ccc(NC(=O)COc5ccccc5C#N)cc4)CCC3)[nH]c12 1792240692 OUVCSFKBSWCMHP-UHFFFAOYSA-N 478.552 5.175 30 20 JKED COC(=O)CCCCCCCCCCC(=O)Nc1ccc(C2(NC(=O)CC#N)CCC2)cc1 1792342907 ZEHAVUYOYNKVFU-UHFFFAOYSA-N 455.599 5.108 30 20 JKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(NC(=O)OC(C)(C)C)sc3c1CCCC3)C2 1802305010 QXTYUEAQVZTVQP-REPLKXPHSA-N 499.677 5.029 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)[C@H]2c2cccnc2)C1 1802416735 JZRRPSQDULDKFF-SIBVEZHUSA-N 482.609 5.130 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C2(c3ccccc3)CC2)[C@@H]1c1cccnc1)c1ccccc1 1802536762 NIQXDQKKUVRCPI-FGUUHEIUSA-N 491.635 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1802744054 VDGAHDLNNDQBRQ-IMSXRSKXSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1803084586 UCNYVXCHOCVCSQ-NAKRPHOHSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1803092479 VUPIIIHOYHBIDL-WUFINQPMSA-N 480.612 5.232 30 20 JKED N#CCCC(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803223989 YUXUZFTVIAAHGP-WHOLLPIFSA-N 479.024 5.019 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1)C(F)(F)F 1803228993 SQTQJCSDDNAESM-ILWGZMRPSA-N 493.957 5.299 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cncc4s2)C3)c1 1803679072 MDHJTLIBIDDSQM-DQEVTTJGSA-N 479.005 5.142 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c1 1803679664 PSNLITYEYRVYAF-ZFWPHHPHSA-N 487.987 5.793 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4C[C@@H]4c4ccc(F)c(F)c4)C3)CC2)c1 1805615183 JZKUVOZMZMSHCL-FOVJLYNBSA-N 491.582 5.240 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccccc2Cl)[C@@H]1c1cccnc1 1806535007 PUGKDXPQJBAYIS-KCWPFWIISA-N 496.127 5.035 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)C1)c1ccccc1 1809163468 QOTSVEFSNGWXQX-LVXARBLLSA-N 497.643 5.109 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809445428 MXWSETFUJRVEJU-UUOWRZLLSA-N 466.006 5.073 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc3[nH]ccc3s2)[C@H]1c1cccnc1)c1ccccc1 1809464719 LIWIYRZDQJFSPU-QSEAXJEQSA-N 496.636 5.141 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810267706 NXKUAAUEENACJB-HFSBSBEISA-N 493.749 5.304 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3ncccc23)[C@H]1c1cccnc1 1810273927 YJDDHGYRAANYBS-FIPFOOKPSA-N 498.703 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1810501581 JWBWQVGHKUJAFP-YJGPCDRQSA-N 484.644 5.583 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1810503980 UIRSUAYKSOTMRK-AUSIDOKSSA-N 464.635 5.245 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1)c1ccc(O)cc1 1810516844 GXUVXWNPTGLODI-NRFANRHFSA-N 490.625 5.242 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811530419 AVHWPOZJDKYRIW-CUBQBAPOSA-N 485.653 5.296 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nscc23)[C@@H]1c1cccnc1 1812213725 CWEWFARWOYHGSW-XXBNENTESA-N 462.619 5.003 30 20 JKED Cc1cc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)ccc2[nH]1 1812277236 IOYNEUGLXYFBHL-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)c(Cl)c2)[C@@H]1c1cccnc1 1812590455 OKEKGTIGAVRMHZ-RRMPHLOHSA-N 490.829 5.029 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[C@H]1c1cccnc1 1812592161 QHIBKIUHBMNPME-OSADXMDESA-N 493.611 5.157 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@H]1c1cccnc1 1812806484 ZFGZDWVQROZTNL-VCSCMVORSA-N 495.689 5.585 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)[C@@H]1c1cccnc1 1813051120 WXJPPDSAZFJEHT-CJFMBICVSA-N 496.449 5.091 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1813958204 BGJJCYBNEVJMJB-OZXSUGGESA-N 488.632 5.052 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)nc2ccccc12 1814379799 SUOTWMWZXLYYNZ-AREMUKBSSA-N 492.583 5.077 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)[nH]n2)C1 1814397712 UALJZYXZTIANLX-KRWDZBQOSA-N 451.329 5.128 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#Cc2ccc(Cl)cc2)n[nH]1 1814743789 SAHXVTZQLOMRST-CZTSOZTGSA-N 476.964 5.112 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)[nH]n1)c1ccc(Cl)cc1 1814938606 XGNXPTSKQYYUOP-GGAORHGYSA-N 478.984 5.009 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1815208731 KQMNGHLOWNQBAF-MHZLTWQESA-N 496.611 5.098 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CCCCC3(F)F)n[nH]2)c(Cl)c1 1815353265 UPBFZWRABDTJKA-APWZRJJASA-N 475.927 5.066 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](F)c3ccccc3)n[nH]2)cc1C#N 1815559310 WTNQHJJZXAZHJU-RDGATRHJSA-N 489.551 5.085 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606758 DXXDTTBMRBXGOJ-RHSMWYFYSA-N 488.013 5.385 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1)NC(=O)OC(C)(C)C 1818810508 VJGWOXZTRRXWAQ-RZUBCFFCSA-N 499.656 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1819309102 MPIIPBYBIOZXAD-LAUBAEHRSA-N 451.958 5.009 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)[nH]n2)c1Cl 1820224046 XYEYMLQBLKAOSG-HSZRJFAPSA-N 487.991 5.046 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1 1821274384 FMRHWERLSLFFDH-MWTRTKDXSA-N 491.979 5.053 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)c1cccc2c1oc1ccccc12 1821611612 OHXMVPUAOGUMMO-GMSPJADCSA-N 498.587 5.087 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)C#N)[nH]n1)c1ccc(Cl)cc1 1821857351 TWNLZUFJAVMXAO-PZJWPPBQSA-N 455.990 5.045 30 20 JKED CC(C)c1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)[nH]n2)cc1 1822139000 PKXHLWXJMIMQAS-VWLOTQADSA-N 487.579 5.021 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CCC3)n[nH]2)c1 1822318167 FRWJAKKLINTWJT-CPJSRVTESA-N 481.600 5.465 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)[nH]n1 1822391178 BAXGPEIQXKJPSS-JOCHJYFZSA-N 493.405 5.435 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4F)CC3)n[nH]2)c1 1823448059 DABCLHYDYLCKLZ-MHECFPHRSA-N 485.563 5.214 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1)C(F)(F)F 1823976567 GYBZFSIULKBFHZ-YWZLYKJASA-N 456.936 5.182 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1824500149 DCBGVBFSXDVJFJ-QHCPKHFHSA-N 481.662 5.026 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1824538794 SKIRJKHDMJEDGU-HOYWAMICSA-N 454.636 5.020 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)CC1 1825689894 UQWCLQHGCFMDPL-OAQYLSRUSA-N 463.544 5.102 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)CC1 1826401300 ZPUVCGQDFPWCET-XMMPIXPASA-N 454.561 5.213 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1827385847 UQOSSOJMVNIANR-MHZLTWQESA-N 482.628 5.062 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cs2)CC1 1827724068 YSTMYTZHMSOYKA-VQTJNVASSA-N 479.484 5.512 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828580759 LIULILRFYGPTTM-ATIYNZHBSA-N 463.622 5.178 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)c1Cl 1830362217 OSGVYLNNZKTFKR-DEOSSOPVSA-N 481.999 5.135 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830409187 ZSMNVYMXKAIWHF-RUZDIDTESA-N 488.713 5.482 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830418207 PXQVLJUKCFUCOX-VGSWGCGISA-N 482.452 5.336 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1830632300 GXSMSODPEMZOQD-DEOSSOPVSA-N 483.534 5.319 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1C 1830675878 QLFGMBWVELRZQB-AREMUKBSSA-N 473.617 5.039 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)c1 1830716440 BVWPPJFMKYZFHX-MYHFBWBUSA-N 451.586 5.067 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc4c(O)cccc34)CC2)c1 1831021928 JQCKWKJHDIULQC-FNZWTVRRSA-N 496.611 5.115 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831306499 GCCVDQUCLLFBHU-OAQYLSRUSA-N 464.437 5.095 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1831520964 RLIXNVWMXXECOH-NDEPHWFRSA-N 471.645 5.052 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1832093041 TUXJDZSFQCPTEQ-HSZRJFAPSA-N 493.614 5.645 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CC2)CCC1 1832785541 DFSUEGZYXJKLAS-AREMUKBSSA-N 495.627 5.157 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)CC1 1836697838 XMAODSYIAPHMCP-UHFFFAOYSA-N 492.582 5.015 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1838799548 UCWYPDOUUOLGEZ-UHFFFAOYSA-N 479.448 5.108 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3ccccc3CSc3ccccc3)C2)c1 1845475140 DSARENFDYSARPG-UHFFFAOYSA-N 485.584 5.120 30 20 JKED CC(=O)Nc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 12619564 MXKSIPJPSMSBAA-CTVDDJEBSA-N 479.580 5.155 30 20 JKED C=CCN(C(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1)c1nc(-c2ccccc2)cs1 14723716 LJYZVMPLDSAVTB-SFHVURJKSA-N 451.617 5.398 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccccc1OC 18973012 DTESGQCGPLIHRT-SFHVURJKSA-N 458.587 5.262 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1C1CCCCC1 22283683 JYZRJOHTHNDIRH-QGZVFWFLSA-N 456.637 5.800 30 20 JKED C[C@@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1cc(Cl)ccc1Cl 24348240 DSBACIHCABGYOI-GFCCVEGCSA-N 486.384 5.214 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1C 29145636 OCYGNPFKYHKWOH-LJQANCHMSA-N 497.068 5.199 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 30381763 MCHRRFZQOBLPCP-AVRDEDQJSA-N 461.027 5.372 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 32457457 ZXNZCGHIQJGVSU-IBGZPJMESA-N 473.335 5.119 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)N1CCSc2ccccc21)C(C)C 32785389 XTXSXMZQCWQGED-QHCPKHFHSA-N 464.660 5.311 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC(=O)Nc1ccccc1SCC#N 45795481 DDWPTLHHBQSAHJ-UHFFFAOYSA-N 491.516 5.549 30 20 JKED C=C(Br)CSc1nnc(COc2ccccc2-c2ccccc2)n1CCOC 59925639 YKKCKQSRAJYCON-UHFFFAOYSA-N 460.397 5.171 30 20 JKED C=CCc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 302937164 JVJKSDIENRTOMC-HXUWFJFHSA-N 477.388 5.373 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccccc2Oc2ccccc2)nn(-c2ccc(F)cc2)c1N 409755874 ZWDPNDQRLJQQFO-UHFFFAOYSA-N 470.508 5.012 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 490653841 YQUFERRJTOWNSX-UHFFFAOYSA-N 470.529 5.095 30 20 JKED C=CCN(C(=O)[C@H](C)Sc1ccc(C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491074838 KBIVFCUISHGOEN-KRWDZBQOSA-N 472.657 5.222 30 20 JKED Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)cc1 499994892 YWHGVPAZESIOFJ-UHFFFAOYSA-N 461.587 5.020 30 20 JKED C=CCOc1ccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)cc1OC 500876364 PDUFVCUJQLTMBB-UHFFFAOYSA-N 450.362 5.045 30 20 JKED O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 501559356 QGJZDMNNGIOULS-QGZVFWFLSA-N 487.375 5.693 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)n2)cc1 503539805 DEKWOCJHQOIADF-MRXNPFEDSA-N 461.524 5.161 30 20 JKED O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Nc1cccc(C#Cc2ccccn2)c1 508588002 NKZGXLPIADXRLX-UHFFFAOYSA-N 471.516 5.661 30 20 JKED C[C@@H]1CCCCN1Cc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511406800 YBLYRTQLOKXPEB-HSZRJFAPSA-N 482.628 6.028 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c12 515446986 PYKMBYVVLAQGOD-UHFFFAOYSA-N 486.535 5.320 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 516077458 ODGWQVWWBICGPO-UHFFFAOYSA-N 497.574 5.957 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(CCc3ccccc3)Cc3cccnc3)c2)cc1 517310487 UFIJVSASUKBWJI-UHFFFAOYSA-N 476.580 6.003 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2cccs2)cc1 517466491 QDWRNQUJZRACQU-UUOWRZLLSA-N 477.655 6.112 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1ccncc1 517532905 QZMWNFNWVGQLHS-RTBURBONSA-N 476.602 5.946 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCCc1nc(-c2cccs2)no1 517808101 DQWUGMLPCDSWNM-UHFFFAOYSA-N 462.962 5.879 30 20 JKED N#C[C@@H](C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc(-c2c(F)cccc2F)cs1 518870758 IBNZSUKZAROEIY-HNNXBMFYSA-N 485.313 5.527 30 20 JKED CC(C)(C)c1nc2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)ccc2o1 519947559 XGZGLMXMXPMQLV-UHFFFAOYSA-N 458.478 5.063 30 20 JKED C=CCN(C(=O)c1cc(Br)cs1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 520014873 BWEMBPSFGVNXQC-UHFFFAOYSA-N 450.339 5.375 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(OC)c1Br 520431659 YIQMZQWEEMTMFM-NSHDSACASA-N 479.302 5.358 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 520835253 FBAPGQALLMLRSI-MRXNPFEDSA-N 474.973 6.561 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)CC2)cc1 521274150 RVZVGMLAFLYHNI-UHFFFAOYSA-N 461.953 5.139 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 521719966 LZGIOWPDZJPLFM-UHFFFAOYSA-N 495.008 5.399 30 20 JKED C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 522246052 HZVTYHPNGFIATA-XETKKBBYSA-N 451.570 5.362 30 20 JKED C=CCn1c(SCC(=O)NCCc2cccc(C)c2)nnc1-c1ccc(Cl)cc1Cl 522837562 RSPXEEXNAWNNBD-UHFFFAOYSA-N 461.418 5.197 30 20 JKED COc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC(F)F 523130643 JXTYMIDCROCRDN-UHFFFAOYSA-N 469.463 5.219 30 20 JKED Cc1noc(Cl)c1CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 523324128 VTEYNYXFUOSSAK-UHFFFAOYSA-N 454.861 5.146 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1 523953380 CYMLADUGYGLZPB-UHFFFAOYSA-N 452.470 5.627 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 524565557 YTGWLVKLUSALNI-LAUBAEHRSA-N 492.567 5.152 30 20 JKED CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 560163666 FPDURQPLWSMRSF-VWLOTQADSA-N 461.949 5.568 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3cccc(Br)c3)o2)sc2c1CCCC2 589835286 PPQAIQNSVSUAMC-UHFFFAOYSA-N 489.420 5.432 30 20 JKED O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 591668762 WULYYQFJONUYDF-UHFFFAOYSA-N 484.371 6.297 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H]3CN(Cc5ccccc5)C[C@H]43)c2)cc1 594669683 WDZDMISEDGARFK-XDOPXQJJSA-N 463.581 5.333 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(OCc4cn5ccccc5n4)cc3)s2)cc1 602230668 ZBTCBEUMWSNTCJ-UHFFFAOYSA-N 465.538 5.085 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@@H]2CCCC[C@H]21 603764880 PSCZJZFDJJTKHX-AMDXRBSFSA-N 496.567 5.166 30 20 JKED Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc(C)c1OCc1cccnc1 603995579 JQKGAGYQKLBLNC-UHFFFAOYSA-N 476.536 5.654 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(C(F)(F)F)cc3)cc2Cl)cc1 604137358 FRGOJDJKMNDGHB-UHFFFAOYSA-N 473.838 5.278 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604157494 URIQWUNPCSANAI-IBGZPJMESA-N 486.786 5.899 30 20 JKED CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 604440586 FTYYJVYFMFBXRB-UHFFFAOYSA-N 486.597 5.070 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 608916019 IMGZJIGJSRVDMA-UHFFFAOYSA-N 452.986 5.717 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 609080432 XEHDXLAZAQPEKZ-UHFFFAOYSA-N 498.558 6.336 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609164401 MUQKCVRLULQZBA-QHCPKHFHSA-N 471.944 6.432 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)c2)cc1 609176872 VWNLTVOGMFOGSG-UHFFFAOYSA-N 457.493 5.851 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 609434986 IZNDWNMCPSXAPM-OAHLLOKOSA-N 459.497 5.607 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 609437405 UDMJGPJWXDAPCP-AGIUHOORSA-N 481.462 5.045 30 20 JKED Cc1ccccc1-n1ncc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C(F)(F)F 618303004 HSHUFXCKZYZPPD-VXGBXAGGSA-N 473.339 5.402 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCc3ccc(C)cc32)c1 621978397 DTGAGNXELZXEOV-UHFFFAOYSA-N 466.990 5.233 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccccc1F 639394073 ABMZINNTULXOKQ-OAQYLSRUSA-N 452.555 5.228 30 20 JKED Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2nc(C(F)(F)F)ccc12 642161235 DXYLNVSGHMDDQZ-RKDXNWHRSA-N 478.380 6.263 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1OC 642282526 ZZEZPTZCUOXTOL-CYBMUJFWSA-N 454.458 5.062 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 726110980 IXSHNHFXDDWWBS-YCRPNKLZSA-N 499.637 5.442 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 726396985 GHAWBGITAAUGSS-UZUQRXQVSA-N 479.577 5.364 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1)c1cccs1 726420530 IOGDXMQYJIOCET-SGIZQXAVSA-N 467.538 5.319 30 20 JKED Cc1nc(/C=C\c2cnc(-c3ccccc3)nc2)sc1C(=O)/C=C\c1cnc(-c2ccccc2)nc1 726847731 GQLVZJDBCOJSJY-DZDAAMPGSA-N 487.588 6.432 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726888046 KQTNBNWWGSDDJJ-YWZLYKJASA-N 498.605 5.321 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1=S 727424019 SQLPUBYFOIMWSR-HXUWFJFHSA-N 462.953 5.230 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1ccccn1 728426710 XXMJOQGMAWFDHR-MHECFPHRSA-N 483.597 5.237 30 20 JKED Cc1nn(C)c2ncc(/C=C3/CCc4nc(-c5ccc(Br)cc5)sc4C3=O)cc12 728438470 FVNYAQQGOFGXID-DHDCSXOGSA-N 465.376 5.375 30 20 JKED O=C1/C(=C/c2cnc(N3CCOCC3)s2)CCc2nc(-c3ccc(Br)cc3)sc21 728438576 HTJWMLCXZUDSJD-SDNWHVSQSA-N 488.432 5.078 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C2/CN(CC(F)(F)F)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728698223 GQTIXQAFBKZQMW-AOXLBFHQSA-N 495.501 5.182 30 20 JKED CN(C[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1)C(=O)OC(C)(C)C 728738925 VLBVJHHYXXHYOD-RDPSFJRHSA-N 462.594 5.453 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CCCCC#N)c1 728779810 LNGXAWBTCJVCQP-QFIPXVFZSA-N 499.036 5.565 30 20 JKED CC(C)(C)c1ccc(N2CCC(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)CC2)cc1 729599986 MPAXQXXDGJEBCW-UHFFFAOYSA-N 460.622 5.078 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)c([N+](=O)[O-])c1 730461300 BESBKZRFRKKRAU-QFIPXVFZSA-N 496.589 5.203 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730944429 WNHRPMBXXXUIOF-FDDCHVKYSA-N 476.577 5.559 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)c3cccnc3)C2=O)cc1 730944612 DEJRPEWNBMMCGU-KSFYIVLOSA-N 480.540 5.390 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4ccccc4SC[C@@H](C)C#N)cc3)ccc12 730989273 JKQQEIAKODPVFM-SFHVURJKSA-N 484.577 6.185 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)[C@H]2c2cccs2)cc1 730994298 JCBPGBOIFOIJIP-AOUJKTHWSA-N 475.639 6.041 30 20 JKED COc1cc(/C=C\C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1c(C)noc1C 731335480 QNWVSMBJHBOANH-XSLBHYSZSA-N 477.586 5.925 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(Br)c1 732779273 HWUZZVGBFJYITJ-IBGZPJMESA-N 490.423 5.218 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 744044040 CYDQJJRMMASXGF-UHFFFAOYSA-N 451.595 6.352 30 20 JKED C=CCc1cc([C@@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)N(C)C(=O)N2C)cc(OC)c1O 747141946 ZZQXEUKUBWRDDW-OAQYLSRUSA-N 489.494 5.099 30 20 JKED CCc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1-c1ccccc1Cl 748483940 ZMSOEGKJDBMUJB-SFHVURJKSA-N 485.931 5.237 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 750704283 YGJOMMNSDGPNQZ-LJQANCHMSA-N 450.539 5.038 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 750705629 YQJWOHCWINLRGT-SANMLTNESA-N 457.530 5.337 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc(Br)c1OC(F)F 750895057 DENOYQQBFWDOKE-BAQGIRSFSA-N 482.321 5.182 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1ccccn1 837286094 RSXJJSVKAHNWDM-PGRDOPGGSA-N 476.577 5.559 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3ccccn3)C2=O)c1 837386611 SBZJBPCQKOURAQ-JPYJTQIMSA-N 474.586 5.120 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 875072738 ZQRWICDLZFSUIO-UHFFFAOYSA-N 465.941 5.204 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)C)n2)cc1 915100287 OPVYRCCJOKBWHV-FYYLOGMGSA-N 470.598 5.160 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@H](C#N)c4nc5ccccc5o4)cc3)ccc12 915104481 BYLXPICIDFTUOH-NRFANRHFSA-N 450.450 5.312 30 20 JKED Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)c1ccccc1F 915515018 KJXZLRAVLTVPMQ-HNNXBMFYSA-N 479.895 5.096 30 20 JKED O=C(O)CCCOc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 916155316 TXMIOOCSJOTSKG-QINSGFPZSA-N 453.498 5.074 30 20 JKED COc1ccc(N2C(=S)N[C@@H](c3ccc(C#N)cc3)C(C(=O)Nc3cccc(Cl)c3)=C2C)cc1 916168998 WLEQJMPGBUIHMR-DEOSSOPVSA-N 489.000 5.569 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)c1 916204721 AHVXLSGTNBWYOV-FQEVSTJZSA-N 491.535 5.617 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CC1 916206743 VESVZCHOFGYOFR-GOSISDBHSA-N 493.372 5.333 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccccc2Cl)c1)c1ccc(Cl)cc1 916278618 YQWYBOWKBVKQEQ-UHFFFAOYSA-N 468.369 5.675 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)n2)cc1 916627145 AEFVRXBMSCVMMC-GOSISDBHSA-N 486.018 5.047 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916845943 YWOYILJUFMOHJY-LHRNQBEKSA-N 477.895 5.838 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 916949075 LKUHKNXWESGYKU-QRWLVFNGSA-N 494.016 6.437 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cccc(NC(=O)c2ccccc2Cl)c1 917030397 YQTZRYSVYNXPQT-UHFFFAOYSA-N 477.977 5.420 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\SC(=Nc3cc(C)ccc3C)NC2=O)cs1 917562489 IDTCGSZEAJOSPQ-MTJSOVHGSA-N 462.600 5.645 30 20 JKED COc1cc(OC)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1Cl 917564030 VADOPMLJGMPEBY-YFHOEESVSA-N 456.951 5.703 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)Nc1ccccc1Br 917698829 HBORUEXYVBTIJW-OAQYLSRUSA-N 494.414 5.725 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2cccs2)cc1 918297167 KBNHASAKYTUOMX-XMMPIXPASA-N 455.539 5.164 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc1OC 918487090 PJFZMTRNKXITHV-AWEZNQCLSA-N 475.353 5.700 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc2ccccc2cc1NS(C)(=O)=O 920018181 VMFZIROJSLMAEH-UHFFFAOYSA-N 471.538 5.436 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 920108508 FJCGYVIULSJRQM-DYESRHJHSA-N 485.544 5.249 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3c(C)noc3C)C2=O)cc1 920359614 PFTCZJVVANTNBT-XMMPIXPASA-N 488.613 5.249 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 920804535 UJTHRARYPLPXOV-HNNXBMFYSA-N 455.486 5.925 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 920804826 ZZEOGVMXFDIRBP-JBVUFVISSA-N 477.536 5.217 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\Cc3cc(C)ccc3C2=O)cc1OC 921263906 KTZZXXFDCMXEAS-YBFXNURJSA-N 477.944 5.506 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CCO2)C1 1778881500 DTPQQROFZCMIKN-WBBHLRKXSA-N 495.623 5.114 30 20 JKED COc1cc(Cl)ccc1CC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785882459 FUDOKFCWIQJIBH-UHFFFAOYSA-N 487.987 5.140 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4cccc(Br)c34)cc2)CCC1 1786195070 HEJGBOTXAPHWLO-UHFFFAOYSA-N 478.390 5.020 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)cc2)CCC1 1786308100 DEHIYUHTXDBCMU-DEOSSOPVSA-N 477.605 5.271 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)CCCOc4cccc(Br)c4)cc3)CCC2)CC1 1786308522 ICFJXNMCXALFEK-UHFFFAOYSA-N 496.405 5.046 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(C(C)=O)cc3)CCC2)cc1 1786364864 UWLMCFLMUGKXNL-UHFFFAOYSA-N 492.616 5.165 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(C)ccc4c3)CCC2)cc1 1786366221 SMIWPCRHLHJGCM-UHFFFAOYSA-N 457.574 5.274 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1786367942 DLNNBRNEEGTBOK-LJQANCHMSA-N 470.997 5.224 30 20 JKED Cc1c([N+](=O)[O-])ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1790772161 HCLDAWWPYCNJTO-UHFFFAOYSA-N 486.503 5.170 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1)C(F)(F)F 1791303588 XFBQABXWDLCLKU-LJQANCHMSA-N 495.542 5.029 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4sccc4C)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681939 CNPYRFCCKDBQOH-NRFANRHFSA-N 495.645 5.370 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CCCn3ccnc3C)cc2)CCC1)c1ccc(O)cc1 1791830916 SWXQWWUFGMNZCC-XMMPIXPASA-N 498.627 5.009 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5[nH]ncc45)CCC3)cc2)c1 1792123487 DGDXPYHJMAAIRO-SFHVURJKSA-N 463.541 5.251 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CCC2)cc1 1792268590 QVGSBPKLQWFMIU-UHFFFAOYSA-N 462.553 5.391 30 20 JKED COc1cc(F)ccc1CC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1792360904 QDJBDRKGAQLWPI-UHFFFAOYSA-N 485.559 5.015 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1Cl)C2 1798334230 QCMJXZQFIMGZNH-QKPAOTATSA-N 472.910 5.518 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 1802119317 QYQSDVBDHITNIJ-ZBCONREDSA-N 485.628 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)on2)[C@@H]1c1cccnc1 1802358598 QGYIMVNCKHTIHP-RDGATRHJSA-N 472.589 5.049 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1802498434 BNGLFWSPGVIOLE-XMSQKQJNSA-N 491.529 5.552 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C2(c3ccccc3)CC2)[C@@H]1c1cccnc1)c1ccccc1 1802536768 NIQXDQKKUVRCPI-ZXRKZBAXSA-N 491.635 5.016 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803086177 FODGKSFOEOZGLZ-JTHBVZDNSA-N 471.523 5.188 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1803086924 PFDJHLKNIGVLCB-LBNVMWSVSA-N 480.612 5.232 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(F)cc2Cl)[C@@H]1c1cccnc1 1804060051 JGZCARZAHNBKSN-YKSBVNFPSA-N 472.004 5.115 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc(Cl)sc4Cl)CC3)C2)cc1 1804758153 XSZJNRLLDVBGFR-UHFFFAOYSA-N 490.456 5.404 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccnc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1804860970 UVWKYFIEMLSJKR-UPVQGACJSA-N 462.638 5.086 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)ccc3F)C2)CC1 1805126080 AGGYQTNNQBFQNC-IBGZPJMESA-N 477.418 5.201 30 20 JKED Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4Cl)CC3)C2)s1 1806983527 VOZPJNXTSNWBOF-UHFFFAOYSA-N 470.038 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1808877340 VCOAFVTUOJWFJU-ILBGXUMGSA-N 453.671 5.686 30 20 JKED N#CCC(=O)N1CCCC2(CCN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)CC2)C1 1809021126 UYVJYBLSGCIZGF-UHFFFAOYSA-N 475.555 5.512 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccccc3C(F)(F)F)C2)CC1 1809228430 YXSJFPCMVYDNDT-UHFFFAOYSA-N 462.556 5.248 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810408280 DGEIWVBJOMLYQM-UJDXBGKXSA-N 491.708 5.143 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccnc1 1810504637 GZYRMFSEOLTCBB-WMZHIEFXSA-N 470.013 5.056 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)c1 1811939640 LMOSKMYGFOWWHM-VPUSJEBWSA-N 466.585 5.019 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)c1 1811939642 LMOSKMYGFOWWHM-XNMGPUDCSA-N 466.585 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1812953604 LJMCJGSUZGKUEC-XNMGPUDCSA-N 493.717 5.712 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813869304 BQIDYGAYZAQVCU-SHRQFBHGSA-N 480.612 5.140 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)[nH]n1 1814441644 DDFQJVWIORPHMX-FQEVSTJZSA-N 492.649 5.535 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)[nH]n1 1814443338 TVNBYGAVUYJBTE-KRWDZBQOSA-N 466.504 5.628 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2OCCc3ccccc32)n[nH]1 1815127107 ZAINIEKVFKYJPP-GOTSBHOMSA-N 464.610 5.098 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1815208097 SLAYMZLDHATDEE-LJQANCHMSA-N 498.933 5.371 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)[nH]n1 1819309491 CEMVGLGQLKXMEN-PZJWPPBQSA-N 471.001 5.075 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCn2cccc2)n[nH]1 1819524317 IUCCSKGGBZTJMD-QHCPKHFHSA-N 481.717 5.125 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1819554027 ADTJSGJCAPVHQE-MRXNPFEDSA-N 452.477 5.320 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1C 1820541449 VVLMGHDMQRFERJ-CYFREDJKSA-N 455.562 5.273 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Br)c2F)n[nH]1 1821057379 XSLFYGMZHUYGTP-KXBFYZLASA-N 489.389 5.386 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c1 1821324774 DULPWQPGUOGKHY-HXUWFJFHSA-N 465.916 5.002 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1822399824 BRCYQEYWCYHDPO-QFIPXVFZSA-N 453.546 5.211 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3Br)CC2)C1 1823704255 CPZWDNILSVDSIL-FQEVSTJZSA-N 479.846 5.302 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1824509113 UFMZSQVHVBEFQH-YADARESESA-N 499.051 5.326 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1824541675 IBIDDEHMXWPGLC-IFMALSPDSA-N 462.059 5.009 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1824545152 UOIMOFKAKYSRAL-MOYZMFQZSA-N 493.511 5.036 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1)C(F)(F)F 1827353094 GFTCAIAEMCRYOX-QFIPXVFZSA-N 489.513 5.240 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(O)ccc3n2)CC1 1828088596 KYTJGKCTRYEPDG-VWLOTQADSA-N 463.622 5.166 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1 1828822183 YDRBZIWHPXBLMA-QPPBQGQZSA-N 477.020 5.246 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(=O)OCC)c2F)CC1 1829644491 IJELEFQQGCWIML-XUZZJYLKSA-N 484.612 5.004 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)c1 1829779925 KTSVFFHJZQZMPA-VWLOTQADSA-N 495.583 5.175 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830408962 DCEHXIANVLFQBA-ACVONRCISA-N 463.622 5.022 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1)C(F)(F)F 1830452493 YUIMSJRAGAVSNL-HSZRJFAPSA-N 471.523 5.100 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830486382 WVKDZJSOKJBXCM-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)CC2)c1 1830514576 CECLZGQIFJZAKS-SSOJOUAXSA-N 483.534 5.278 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)S)CC1)c1ccc(Cl)cc1 1831836703 LBEJEZULUMLZHZ-WTNAPCKOSA-N 451.076 5.018 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832635892 XXBYELBEYIBCDY-GAJHUEQPSA-N 499.989 5.792 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)CC1 1837724639 AUBLETXCPCKDDQ-DEOSSOPVSA-N 492.582 5.015 30 20 JKED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)C2)CCC1 1844724609 FVVRMQCOHZSDMZ-UHFFFAOYSA-N 473.539 5.264 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2ccc(Br)cc2s1 1847531187 BCEKBBXIWYFWMV-OALUTQOASA-N 473.436 5.248 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 10170340 FTDVMOVFJDENNM-UHFFFAOYSA-O 468.558 5.524 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccc2c(c1)OCCO2 10179531 ZFCDVGINWGKXOO-UHFFFAOYSA-O 495.624 6.026 30 20 JKED O=C(/C(=C(/S)Nc1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc([N+](=O)[O-])cc1 10754711 XSMVZSPKIJVIER-UHFFFAOYSA-O 484.960 5.605 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2)c1C 11078047 YRQXKLPFXLRMSH-UHFFFAOYSA-O 491.420 5.453 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(CO)c2)c1 11157349 OJTSRFCETWODRE-UHFFFAOYSA-O 459.513 5.153 30 20 JKED C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2scc(-c3cccs3)c2c1=O 15151798 MBAFCVVQNDKYHC-UHFFFAOYSA-N 484.624 5.365 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC 15601604 HWMSFWTXTROBQY-UHFFFAOYSA-N 472.932 5.393 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)n(Cc2ccccc2)c1C 16654830 XRZFFOUUNSBXJV-UHFFFAOYSA-N 485.613 5.047 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@H]1COc2ccccc2O1 21144096 UDCBDLFKKSUGCP-ORAYPTAESA-N 491.400 5.403 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2scc(-c3cccs3)c2c1=O 22036572 QQYPQZYOBNCCBE-UHFFFAOYSA-N 467.641 5.720 30 20 JKED Cn1c(SCC(=O)Nc2ccccc2SCC#N)nc2sc(-c3ccccc3)cc2c1=O 22150782 PGFYJQOYBJNGGQ-UHFFFAOYSA-N 478.624 5.008 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1 22735671 XCTNJHCOZOHZOI-UHFFFAOYSA-O 479.669 5.953 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NCCc2ccc(OC)cc2)cc1 22801440 PLUWCQISEXTVPJ-UHFFFAOYSA-O 488.460 5.623 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 23347820 RSPHMRKBKIHMMS-FPOVZHCZSA-N 495.674 5.230 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 23442398 HFTQMKLLXMHGPY-UHFFFAOYSA-N 457.507 5.149 30 20 JKED C=CCn1c(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)nnc1-c1ccc(OC)cc1 23554348 DIKVCTZDDOOGEA-LSDHHAIUSA-N 493.658 5.416 30 20 JKED Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n2Cc2ccco2)c1 26489430 WLBICNDPNRHRFI-INIZCTEOSA-N 489.626 5.436 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H]2CCc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 27820700 OJNJRXFGWDVBQQ-HXUWFJFHSA-N 473.429 5.676 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nc2ccccc2c1=O 28387275 FDHLYMOYNOTYEW-QHCPKHFHSA-N 486.553 5.271 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 78665611 LXOIGGSPGBXTRU-LJQANCHMSA-N 485.638 6.059 30 20 JKED Cc1ccc(C)c(OCc2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)c1 105388031 AFMUKHLUIUBDOB-GOSISDBHSA-N 476.583 5.358 30 20 JKED C=CCN(C(=O)c1ccc(Cn2cccn2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 105501227 GWKVUZLHBMJLTM-UHFFFAOYSA-N 469.397 6.195 30 20 JKED Cc1ccccc1N(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1nc2ccccc2s1 106033921 SMOFCPNVDMTNCM-UHFFFAOYSA-N 466.570 5.433 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3cc(C#N)ccc3OC(C)C)cc2)cc1 109096755 RSHHKLLONIXPQN-UHFFFAOYSA-N 472.545 5.047 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccccn2)C1=O)Nc1ccccc1 254399762 CJYVKXYFHUGPRB-HXUWFJFHSA-N 498.580 5.557 30 20 JKED Cc1sc2nc(SCC(=O)c3cn(CCC#N)c4ccccc34)n(C(C)C)c(=O)c2c1C 255930322 DSUJUMVQAOLUMF-UHFFFAOYSA-N 464.616 5.499 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc(Br)o2)c1 302934459 IGNJDRRIIPTZOB-UHFFFAOYSA-N 491.263 5.095 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1-c1cccnc1 302954589 NLQBILVHVKNQMG-SFHVURJKSA-N 487.032 6.431 30 20 JKED CCc1cccc2c(C3CCN(C(=O)c4occc4COc4cccc(C#N)c4)CC3)c[nH]c12 303145411 MUVRMSBSBCJWNF-UHFFFAOYSA-N 453.542 5.794 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)c4ccco4)c(Cl)c3)c2)cc1 303224423 WJGXUGWVUXFHCV-UHFFFAOYSA-N 457.873 6.102 30 20 JKED COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1ccc(Cl)cc1 303291012 BCSKAHUUWGWBJR-KRWDZBQOSA-N 466.990 6.574 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(COCc3ccco3)c2)cc1C 498598891 NMXSIKPSRHZOBN-UHFFFAOYSA-N 454.530 5.643 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1C 500098111 NTRJTDUYAZJQMM-LJQANCHMSA-N 455.587 5.695 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)N(Cc3ccco3)c3ccccc3C#N)s2)cc1OC 500996697 LCYGAPFXFNGAQU-UHFFFAOYSA-N 459.527 5.447 30 20 JKED C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nc2cc(-c3ccccc3)sc2c1=O 501503452 LPIBKINMBNCZPT-UHFFFAOYSA-N 498.589 5.998 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2c(F)cccc2Oc2ccccc2)CC1 504155136 YDNPIKNMVYBLPZ-UHFFFAOYSA-N 473.464 5.092 30 20 JKED N#Cc1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)cc1 504388297 MQZLJOVQRZXLGC-HXUWFJFHSA-N 482.403 5.199 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Oc5ccccc5C#N)cc4)nc(O)c23)C1 509655985 FCFVVTXQCWIBDN-INIZCTEOSA-N 484.581 5.757 30 20 JKED CN(Cc1ccc(OC(F)F)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 511272848 KGEALXQWEMSBFI-OAQYLSRUSA-N 483.902 5.194 30 20 JKED N#CCSc1ccccc1NC(=O)COc1ccc(-c2ccc(Br)cc2)cc1 512132243 RCHIFCPYJBITBR-UHFFFAOYSA-N 453.361 5.749 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513985965 VDNIOFZZBFRPMG-UHFFFAOYSA-N 492.554 6.492 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1Cl 515911720 FKFLBOBQRMHKAH-VWLOTQADSA-N 479.967 5.840 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)n2)cc1 516714012 NIFMLKLKGGFUDN-QFIPXVFZSA-N 477.549 5.556 30 20 JKED COc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1OCc1ccc(Cl)cc1 517081957 ZBIQEUYJVYBQTF-UHFFFAOYSA-N 476.960 5.483 30 20 JKED N#C[C@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1ccc(OCc2ccccc2)cc1 517848169 IUZVKERGGOWVRN-QFIPXVFZSA-N 475.595 5.596 30 20 JKED COc1ccc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@@H](C)C2CC2)cc1 518224497 ZDOOVIBDTUMRBU-NRFANRHFSA-N 469.585 6.173 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 520814401 AISBYSNDZUBEQQ-LBPRGKRZSA-N 462.415 6.136 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 520824903 HJBLEFAMGAUJKZ-JPYJTQIMSA-N 474.586 5.469 30 20 JKED Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)Nc4ccccc4SC[C@@H](C)C#N)CC3)n2)cc1 520858138 ONGXGSITNCBQFR-VQTJNVASSA-N 490.633 5.208 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)cc1 521293196 ILJMTERVTUHWBN-HXUWFJFHSA-N 474.369 5.097 30 20 JKED CCOC(=O)Cn1ccc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc21 522722554 QCQRYYDGTUOWMC-UHFFFAOYSA-N 455.539 5.480 30 20 JKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cc(C)nn2CCC#N)c1OC 522744535 IYHQDUBKEFEHSD-HTXNQAPBSA-N 493.567 5.410 30 20 JKED CC(C)Cn1c(SCC(=O)N(CCC#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl 523281843 KYFPJJSBYWSQNR-UHFFFAOYSA-N 454.427 5.151 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCCSc3ccccc3)cc2Cl)c1 524428768 YUHIAENPBSYNPA-UHFFFAOYSA-N 479.989 5.028 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)cc1 559933570 ALTOQKDCLFMXHG-UHFFFAOYSA-N 496.430 6.301 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1Cl 603765968 GSGXXHOYAJMQKR-HSZRJFAPSA-N 473.985 6.522 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)c2)c1 603996008 ZIYMDIJHLFYPBN-UHFFFAOYSA-N 466.541 5.582 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 604486891 XEMAZAHTKFOIFM-UHFFFAOYSA-N 461.465 5.494 30 20 JKED CCCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604507311 CQPKTBGPAPIFAX-UHFFFAOYSA-N 477.948 5.390 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 608876235 GUFJAQDCAMQVCA-RTWAWAEBSA-N 466.566 6.352 30 20 JKED Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 608971165 JIKYRPFJRHCKSJ-UHFFFAOYSA-N 455.608 6.213 30 20 JKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[nH]c2c1 609079863 MEWUOPHCNNMDRZ-XMMPIXPASA-N 485.975 6.344 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)c2)cc1 609176927 AHZPXUJFQDZFTE-MHZLTWQESA-N 475.504 5.545 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 609434125 WNTFFBUBRBZDCT-UHFFFAOYSA-N 474.605 5.139 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c12 613407482 UVAJBQZDJJAQKL-INIZCTEOSA-N 463.994 6.125 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(SC)cc1 613425582 BVEYIDRXQIFCMG-HNNXBMFYSA-N 475.039 5.538 30 20 JKED FC(F)(F)[C@H]1C[C@@H](C(F)(F)F)CN(C/C=C\CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 618451176 OBMIIDUQOFZYRX-ZWTHYHLESA-N 494.364 5.668 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642380203 DGIDTYOZOPTRDO-SVDPJWKOSA-N 480.218 5.381 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C2CC2)nnc1-c1ccc(Cl)cc1Cl 685632611 TUJNKDRIEHQBAE-IBGZPJMESA-N 479.458 5.859 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NCC(F)(F)F)[n+]2ccc(C(C)(C)C)cc2)C=C1 725760168 LDTURYLGPRURBM-UHFFFAOYSA-O 494.603 5.431 30 20 JKED CC(=NNc1ccc(Cl)cc1Cl)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 725808716 KSRGTPPJCCDHMO-QFIPXVFZSA-N 482.371 5.591 30 20 JKED Cc1cc(C(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)c2cc(Br)ccc2n1 725974091 BSYQKEWJDWBCKZ-UHFFFAOYSA-N 480.362 5.026 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)CCc2ccco2)cn1 726116973 OUIRECSIHFBHOL-XXBNENTESA-N 493.633 5.094 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC[C@@H](C)OC)cc1 726394253 UEGUVOWIAWWYHM-IIBYNOLFSA-N 490.025 5.042 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2cccc(C)n2)C1=O 726423491 ZTSZNCZTRWDCNC-SYGSHIDXSA-N 494.642 5.050 30 20 JKED C#Cc1cccc(NC(=O)CNC(=O)c2oc3ccccc3c2COc2ccccc2Cl)c1 726504785 ZLZWQKFRXGULTR-UHFFFAOYSA-N 458.901 5.015 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2ccc(C(C)(C)C)cc2)c1 726572896 JBELGVKVOGPEBV-UHFFFAOYSA-O 457.619 5.893 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 726755660 SNDOPGWWXXBVGR-UHFFFAOYSA-N 462.431 5.642 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)cc1Cl 726889927 IGAUNNUVRIOSBG-LJQANCHMSA-N 478.401 5.433 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4nc5ccccc5s4)CC3)n2)cc1 727626997 JPGZERCCZWNKCV-LJQANCHMSA-N 458.612 5.821 30 20 JKED COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2)cc1 728110450 LTAYISDJHYXKHS-SANMLTNESA-N 482.492 5.276 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2F)c1 728404595 LNBZBJWEAGDVTL-UHFFFAOYSA-N 496.542 5.102 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cscn2)cc1 728424343 ZKFHFPPPPAULSM-JOCHJYFZSA-N 489.626 5.299 30 20 JKED O=C(OCc1nccn1CC(F)(F)F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 728620022 YWSWBTOSUPJPQV-UHFFFAOYSA-N 486.294 5.026 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 728634913 FXZWCPXIDKZXAM-UHFFFAOYSA-N 472.595 5.716 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776268 ATQNHAQEBRHYPV-FQEVSTJZSA-N 499.980 5.211 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1Cl 728778132 QJFMFCXHUGUWAP-LJQANCHMSA-N 475.401 5.648 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 728778486 SBUWRCIOHXYCNV-GOSISDBHSA-N 475.401 5.648 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc3c(c2)CCC3)cc1 729670318 OGEXUQQKUSFASV-UHFFFAOYSA-O 491.633 5.797 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1F 730533051 CUQUWDOYXGABFT-FQEVSTJZSA-N 455.486 5.027 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730943547 FQASBQDQPVVDLN-CYFREDJKSA-N 487.629 5.178 30 20 JKED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)c1 746346325 PKLJEDRSZGWGQS-DZDAAMPGSA-N 458.606 6.267 30 20 JKED COc1ccc(-n2c(-c3cc(Cl)ccc3OC)nn(CN(C)C[C@H](C)C#N)c2=S)cc1Cl 746706194 IOKXUGDRKXVQKG-CQSZACIVSA-N 492.432 5.443 30 20 JKED C=CCc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc(OC)c1O 747063658 PXGPOPJDICNKEH-YBEGLDIGSA-N 462.358 5.623 30 20 JKED N#Cc1ccccc1/C=C\C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 747386365 KZNFPPJCLLOYCI-YVMONPNESA-N 463.412 5.536 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 749361090 QQZLANRAVHZPFI-UHFFFAOYSA-N 474.564 5.912 30 20 JKED CC(=O)Nc1cc(F)c(F)cc1NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 751194319 NCUXHKNIZQVDJI-NSCUHMNNSA-N 452.301 5.613 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 791768244 CKTGIXVKQKGBCK-WQMCXHGUSA-N 473.598 5.383 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC(F)(F)F 799212355 TWJMHTCCSVGMSA-FQEVSTJZSA-N 471.504 5.671 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)ccc1Cl 813303003 GYBLDKGAOLNXLE-UHFFFAOYSA-N 488.931 5.264 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccc3F)C2=O)cc1OC 837532320 ULAOAEXECAHJAY-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837741372 WRFJVRSTFPKYNU-VGSWGCGISA-N 462.550 5.251 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839384977 IZPPRGYZBBKNEU-XMMPIXPASA-N 490.485 5.756 30 20 JKED C[C@@H](OC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)C(=O)Nc1ccccc1C#N 899912965 UZEJNFWDPVGFSF-MRXNPFEDSA-N 478.533 5.567 30 20 JKED Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(Oc5cccc(F)c5C#N)cc4)n3)cn2)n1 904522200 MUGDUBYRQDXXAJ-UHFFFAOYSA-N 452.449 5.404 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 913099744 SQIDXCGNIPOASV-CQSZACIVSA-N 463.173 5.548 30 20 JKED N#CC(CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)(c1ccccc1)c1ccccc1 914897695 IOXBDEFAUKKVPA-HSZRJFAPSA-N 467.569 5.374 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 915087847 YCTFTYMLMHXJMM-AREMUKBSSA-N 473.598 5.159 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104579 SDNLDMUIGYSPET-XJKSGUPXSA-N 477.533 5.560 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(COCc3ccccc3)cc2)C1=O)NC1CC1 915270558 YIVQTKAZAKTLRZ-AREMUKBSSA-N 499.636 5.204 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 915353870 YTLZGEDEYQKMLF-RUZDIDTESA-N 478.518 5.711 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccco2)ccc1OCc1ccc(Br)cc1 915947195 IVJYMAJBZUFMJM-UHFFFAOYSA-N 485.363 5.059 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccccn3)C2=O)cc1 916207790 LLEBWYPMTLEVJT-HSZRJFAPSA-N 458.587 5.167 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(C2CC2)C1=O 916207809 LVPWUYKUKSULMD-HXUWFJFHSA-N 457.983 5.088 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)cc1 916214813 OZHRUVMCLRISJC-SFHVURJKSA-N 465.497 5.084 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1 916432438 UHDQTKHPNLBQCW-NDEPHWFRSA-N 473.580 5.621 30 20 JKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)CCc1c(C)nn(CCC#N)c1C 916879130 MLZVAQKEGGMWSJ-UHFFFAOYSA-N 496.567 5.366 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)cc1 916896870 PRCPJFWGTMYMIN-DEOSSOPVSA-N 451.526 5.432 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(Cc2ccc(F)cc2)nc1C 916900984 VUNGMAPLFISJMD-MRXNPFEDSA-N 471.941 5.113 30 20 JKED N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 916938878 MLIKWBYTLCEKKP-SECBINFHSA-N 450.080 5.166 30 20 JKED N#C[C@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997522 VLYJZNIHWYKDKP-MRXNPFEDSA-N 487.368 6.115 30 20 JKED CC(C)n1ncc2cc(/C=C\C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)[nH]c21 917029932 CSEZSOAYVQBPRW-WWYICIOESA-N 487.629 5.119 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1nc2ccccc2n1C(F)F 917040558 MASFBONNNRTLKY-LJQANCHMSA-N 453.452 5.774 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(Cc2ccccc2)cc1 917609391 COGVHNYLSIJMOV-UHFFFAOYSA-O 489.664 6.513 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)C3CCCCC3)cn2)c1 918270209 MBIQGSGIFXRLHL-RUZDIDTESA-N 454.530 5.122 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccc(Br)cc2)C(C)C)c1=S 919953294 GQJSMTBWYUACDJ-UHFFFAOYSA-N 458.429 5.293 30 20 JKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 920109365 QDOSUYJHTAFYID-RDPSFJRHSA-N 454.526 5.645 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(F)(F)F)c2)s1 920171289 SKGYNOCZDRNTRS-FZKQIMNGSA-N 481.565 5.437 30 20 JKED CCOC(=O)Nc1ccc2c(CNc3ccc(Oc4ccc(C#N)cc4)cc3)cc(=O)oc2c1 921067665 PQPPDUYPGHOCRW-UHFFFAOYSA-N 455.470 5.637 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)CCC2)cc1 1786373835 OYXHKKYKNJRBBO-FQEVSTJZSA-N 497.035 5.113 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)c(Cl)c1 1786708425 DLPVRIOBXKYRSX-UHFFFAOYSA-N 473.960 5.211 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)no1 1787546590 NEDXNOFSJKIHJH-UHFFFAOYSA-N 462.937 5.385 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccco5)no4)cc3)CCC2)c1 1788418317 ICSWNJHBNVUFQX-UHFFFAOYSA-N 480.524 5.187 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)cc2)CCC1 1789293134 YFZXHRVSFVALDR-UHFFFAOYSA-N 492.448 5.541 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)c(CC)nn3C)CCC2)cc1 1789453259 RFWRPVZDQKYETL-LJQANCHMSA-N 455.002 5.152 30 20 JKED COC1(CC(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)CCC1 1789510077 ZFBXGVNNUGFXEI-UHFFFAOYSA-N 454.687 5.131 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccnc(C)c3)cc2)CCC1)c1ccc(O)cc1 1789752880 URMZQZNFTSYRBS-QFIPXVFZSA-N 467.569 5.041 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc2)CCC1 1790482409 MMFPLWWWYMMINR-NZQKXSOJSA-N 483.653 5.254 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790954141 XAYRIACKWFNWLU-UHFFFAOYSA-N 453.995 5.488 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791406891 FVDDTSHWTFWLER-HHHXNRCGSA-N 499.627 5.053 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3noc4ccc(Br)cc34)CCC2)cc1 1791583717 DEAMQSAYPYXTIX-UHFFFAOYSA-N 480.362 5.142 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CCOc3ccc(NC(=O)OC(C)(C)C)cc3)CCC2)cc1 1791589031 AXWLNHZXXXGXRK-UHFFFAOYSA-N 493.604 5.513 30 20 JKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cn1 1792122470 ATKGVXKZJYBDTB-LJQANCHMSA-N 452.558 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5[nH]ccc5n4)CCC3)cc2)c1 1792123453 BYBVBACGAAXXNL-SFHVURJKSA-N 463.541 5.251 30 20 JKED COc1ccc2c(c1)CC[C@@H](CC(=O)NC1(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC1)C2 1792230329 AKOCZZCECLPCAG-HXUWFJFHSA-N 471.601 5.018 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)cc(Cl)c4n3)CCC2)cc1 1792264846 MMMXDHKCMQBMME-UHFFFAOYSA-N 488.897 5.168 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1794073855 MDSICAAQRUUGPR-REPLKXPHSA-N 465.644 5.067 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(-c2ccccc2)c2ncccc12 1796549655 CXUFRRDTNNPEGO-UADZTWIMSA-N 470.617 5.270 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ccccc12)C(F)(F)F 1797277611 YIYLKRJMHDYHOG-ACDBMABISA-N 479.502 5.272 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1798331626 SODDLJSDJGCQEI-HVWQDESWSA-N 479.624 5.922 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1802726718 OVHFIPYALYENKG-AKFKNWHVSA-N 451.998 5.131 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)c1 1803681714 XMXLCVMOXRJJEZ-LZQXYRQZSA-N 492.579 5.621 30 20 JKED CCOc1ccsc1C(=O)N1CCCC2(CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)C1 1804696614 BOSMHAJATOROCO-UHFFFAOYSA-N 474.743 5.043 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4C[C@H]4c4ccc(F)c(F)c4)C3)CC2)c(Cl)c1 1805612441 BIVHTKHPNZPGKI-LEWJYISDSA-N 497.973 5.138 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)CC1 1806193431 JHAHQWOSNMVKMI-UHFFFAOYSA-N 482.663 5.001 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)C1 1806678901 VSVUTYXBIHMUBB-UHFFFAOYSA-N 462.659 5.426 30 20 JKED Cc1scc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4Cl)CC3)C2)c1C 1808788591 MDMXXLUZYNZBSD-UHFFFAOYSA-N 456.011 5.049 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809439817 DYUOVRJKQMYITG-CJFMBICVSA-N 494.060 6.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1810173823 XHIVDYXCZCZVOD-MZKUHISZSA-N 487.644 5.273 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810271432 GDVKMLYUAWRWMT-SYRGALACSA-N 491.708 5.143 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)[C@@H]1c1cccnc1 1810505075 MEPLOMFHCAJFIY-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811719222 VKTWQAKZWLYKKB-GIGWZHCTSA-N 499.611 5.176 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1811821843 MMMJECIZDRUUCB-NFBKMPQASA-N 472.416 5.476 30 20 JKED Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c1Cl 1813827826 VUQARHIDOJEXKI-CYFREDJKSA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)nc3)[C@@H]2c2cccnc2)c1 1813862910 AVDCRUJUQNONRW-WMVAVLGLSA-N 495.627 5.035 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)cc1 1814379210 HZBOIIJLJBMELV-QFIPXVFZSA-N 479.943 5.013 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)ccc2s1 1814379864 XHTPHQZTIOPLGS-QHCPKHFHSA-N 498.612 5.138 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1814828886 WMUUPSAVVAVOJC-UPVQGACJSA-N 484.044 5.127 30 20 JKED Cc1csc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1815898071 ZGLJEADNHHKXMV-MBSDFSHPSA-N 475.618 5.345 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1 1819386649 FXQHAGPHPGBTOI-SFZDQAMXSA-N 454.691 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)[nH]n1 1819554496 CUGZJOCGVMUKHI-IBGZPJMESA-N 468.989 5.238 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3c[nH]c4ccccc34)n[nH]2)c1 1820736570 QOBBVEBTTJIXGJ-AVRWGWEMSA-N 480.572 5.067 30 20 JKED Cc1cccc(Cl)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1821145797 DBSQXPBURBLSMI-HTAPYJJXSA-N 475.980 5.618 30 20 JKED Cn1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc2ccccc21 1821277561 BNXKKYOKVSBWGL-QFIPXVFZSA-N 486.963 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)cc2F)n[nH]1 1821328880 VOHGJRIMMRFHJV-WMZHIEFXSA-N 468.573 5.410 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)[nH]n1 1821986564 SIPAARQYEZMDJK-FIIODCPWSA-N 460.550 5.228 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1822581998 WMVATJNCONAQGI-HNNXBMFYSA-N 453.395 5.278 30 20 JKED CCn1nc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c2ccccc21 1823211340 CWQSCVZXGLCQSW-MHECFPHRSA-N 495.587 5.026 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212528 OXPZJEQHHQOVKF-VBKZILBWSA-N 499.493 5.577 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)no3)CC2)C1 1823700637 ZPRBVAILZGORHT-QHCPKHFHSA-N 467.997 5.195 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1823718807 RDMTZMUOFHATNC-UCDYPZRHSA-N 461.631 5.151 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824056032 NCPITIKDNOEEGE-DEOSSOPVSA-N 494.035 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(=O)OCC)c2F)CC1 1824143505 QBUGBBQIAJOCPT-DEOSSOPVSA-N 484.612 5.004 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(Br)cc2C)CC1 1824501048 OQOSRYDIWNYZJC-IBGZPJMESA-N 497.499 5.035 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1824511309 ZCKZFAKZMALSJV-FXAWDEMLSA-N 475.054 5.379 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1825572449 BRSLFPCBKCLKDP-NDEPHWFRSA-N 498.602 5.168 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1825765995 DWQYMMHTJDSSFL-VWLOTQADSA-N 482.584 5.069 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Br)c4ccccc4c3)CC2)CC1 1826681293 WHEGHAKBHZXYPJ-HSZRJFAPSA-N 494.433 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)CC1 1827264948 AGKABJHHAPRJFU-PKTZIBPZSA-N 478.662 5.207 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CC2)CCC1 1827379825 LFHZRNAZNYFGCV-SANMLTNESA-N 495.627 5.157 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)c1 1829779987 NETAIOZOTZUXIK-QHCPKHFHSA-N 487.431 5.059 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC#N)CC2)cc1Cl 1830782729 DBUMMMPQPXHNDQ-OAQYLSRUSA-N 480.436 5.318 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1831446007 QUXRENMQMHTWAK-QGZVFWFLSA-N 462.459 5.052 30 20 JKED Cc1ccc(OCCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832630056 XWFJAUCCJFIVPE-FIPFOOKPSA-N 487.644 5.325 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832631340 CWMWXJZGTZBCKT-AJTFRIOCSA-N 489.685 5.648 30 20 JKED Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634646 YITHVKAKWXAKLJ-RXFWQSSRSA-N 461.581 5.308 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634677 TXQYLAIMIPRLBM-IDISGSTGSA-N 468.601 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)CC1 1838375812 RRXSWVDBHXMJBN-NRFANRHFSA-N 496.545 5.225 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc3c(c2)CCCC3)c1C 10173408 OSBZDVXBUJRHDM-UHFFFAOYSA-O 490.649 5.334 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(OC(F)(F)F)cc2)c1 10174175 YSFVSIXUYGCZPV-UHFFFAOYSA-O 473.540 6.355 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1ccc(Cl)cc1Cl 10753720 CVWWEQDKSLRLCL-UHFFFAOYSA-O 454.761 6.124 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(F)c(Cl)c1 10753878 IXIBJPMKRGLEHM-UHFFFAOYSA-O 482.815 6.687 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)cc1 11113380 MCLZULHTXFPZMG-UHFFFAOYSA-O 487.617 6.343 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)n(C2CCCCC2)c1C 11424650 DIRZBDBXJLHJJA-UHFFFAOYSA-N 495.697 5.375 30 20 JKED Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)c1 16863122 OJYLNGJOFHBCKU-MRXNPFEDSA-N 477.977 5.539 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccc(OC)cc1 16865019 XVQFKBKEEJVJRS-CYBMUJFWSA-N 496.942 5.931 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2 20990604 SZSSPNDXBYOOQL-UHFFFAOYSA-N 497.621 5.115 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1[C@H]1COc2ccccc2O1 21119247 JBWVYFVKHCONDE-IFXJQAMLSA-N 490.507 5.115 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 22679540 MKXJLGWHRYCUNQ-AWEZNQCLSA-N 477.417 5.416 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)cc1 22692981 FYKBGLJHAQPHOM-UHFFFAOYSA-O 471.646 5.079 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 60203648 LRXFOEMJTJUXTF-MDZDMXLPSA-N 456.329 5.399 30 20 JKED CCCCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccc(OC)cc1 69504867 TZEKIIGVTUUJPO-UHFFFAOYSA-N 495.674 5.687 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1 104879090 XYFIFQTUIQIXTQ-UHFFFAOYSA-N 467.978 5.161 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1Cl 107649252 GDQRWGGTHAIXKT-HSZRJFAPSA-N 459.958 6.283 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 195648253 VTKWJHUHRYYNAD-OAHLLOKOSA-N 455.967 5.171 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccccc1F 217801764 QAPXRDSDDPTBAA-UHFFFAOYSA-N 461.444 5.631 30 20 JKED Cc1c(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)sc2nc(C(F)(F)F)ccc12 478977600 RWKLFSVWAPCVLC-UHFFFAOYSA-N 468.350 6.079 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 487113260 WOXNSZLNSFPLGT-OFVILXPXSA-N 487.003 6.187 30 20 JKED COc1ccc(O[C@@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487296493 YTAFPOBHHLYZIG-ZDUSSCGKSA-N 461.465 5.039 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1 491570581 QVIJNXXQHNBEBO-HSZRJFAPSA-N 470.573 5.045 30 20 JKED CCCN(CC#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 498077751 HGAPNKPMEFRITA-UHFFFAOYSA-N 482.005 5.111 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)cc1 498313803 ZJTCUAFYSUVDMZ-UHFFFAOYSA-N 454.935 5.462 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1C 498613803 FGTICBDXQFZDBQ-UHFFFAOYSA-N 489.579 5.536 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)c2)cc1 501468708 RULJIAAKNUPHPN-UHFFFAOYSA-N 461.949 5.134 30 20 JKED N#C[C@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1 502761836 WZIFZGZMLSPEQX-QGZVFWFLSA-N 472.879 6.158 30 20 JKED CSc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)N2CCc3sccc3C2)cc1 505173682 TVPLULBJLYNQHS-XMMPIXPASA-N 476.671 5.283 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2)c1 508243656 RYOMKAFTINCZAY-UHFFFAOYSA-N 456.521 5.436 30 20 JKED CC(C)(C)[C@H]1CCc2sc(-c3nnc(SC[C@H](O)COc4ccc(CC#N)cc4)o3)cc2C1 508456801 FJVIBVGNAWTPMB-RBUKOAKNSA-N 483.659 5.547 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 508981374 ZSRZZHBONCKOIE-UHFFFAOYSA-N 483.549 5.190 30 20 JKED CCOc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 510526190 YMQFVBXZCOHZAL-UHFFFAOYSA-N 484.556 5.176 30 20 JKED COCCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 510743654 AQCIUAXVNCTQOL-LJQANCHMSA-N 475.545 5.576 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)s2)cc1 510970518 VTZIZNWSTBTSBU-UHFFFAOYSA-N 476.587 5.125 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)cc1Cl 512198176 UPNDHANZSCRJFN-GGAORHGYSA-N 463.990 5.229 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 513726889 BTIJUWKGGBPVTA-UHFFFAOYSA-N 485.569 5.233 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccccc1OC 514357448 NKEPWTGWJWRIIF-LJQANCHMSA-N 488.617 5.062 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)c3cccc(NC(=O)c4ccccc4)c3)nnc12 515482125 PCQQJYJBZFRVPH-GOSISDBHSA-N 481.581 5.336 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2cc(C)cc(C)c2)c1 515665974 WZSCYLGCRHLBEN-UHFFFAOYSA-N 469.006 5.615 30 20 JKED CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 515893274 UMTHZSQEXFDBHS-LADGPHEKSA-N 495.048 5.195 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Br)cc1OC(C)C 516252975 HDRKMEWMFSJMOE-UHFFFAOYSA-N 466.335 5.856 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 517686836 JAKYDTANSMQDNM-OAQYLSRUSA-N 478.552 6.516 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(OCc2ccccn2)c1 517834919 ZOLMPVIKQZVGCN-FQEVSTJZSA-N 492.535 5.140 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(NC(=O)NC2CC2)cc1 518253177 WFPOCMJUYTXDCC-KRWDZBQOSA-N 455.518 5.517 30 20 JKED CCOCCOc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 518714430 LZCOSERVKMIOHF-HSZRJFAPSA-N 470.978 5.212 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 518793357 WLCHLRNFDPTZTP-UHFFFAOYSA-N 498.539 5.868 30 20 JKED N#CCCn1cc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 519886441 QYERAPSDDHQSLY-UHFFFAOYSA-N 477.524 5.455 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 520394010 WEKLTNRVACIFNC-HSZRJFAPSA-N 487.581 5.099 30 20 JKED CC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 520910688 YTCNQIQHRUOVFJ-AWEZNQCLSA-N 450.372 5.305 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1 521731076 VVWXNKWSMLIRLF-IBGZPJMESA-N 459.571 5.028 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)n1 523229580 RKSCNMOYTIMMSF-HNNXBMFYSA-N 496.997 6.502 30 20 JKED CC(C)Oc1ccc(CNC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)c(C(F)(F)F)c1 523266833 SVTBOKCXGDDLJW-UHFFFAOYSA-N 490.379 5.161 30 20 JKED COc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Br 523925810 PIPMQYNTYBUPNC-UHFFFAOYSA-N 482.353 5.380 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 524173906 RLLBASIKXQEIQK-AREMUKBSSA-N 485.971 5.379 30 20 JKED C[C@@H](Nc1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1Cl)c1ccccc1 524421963 SMKPBMTYQQLHEO-MRXNPFEDSA-N 456.937 5.405 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)cc2)cc1 524660761 DJDRQELPJCPFOW-UHFFFAOYSA-N 464.529 5.547 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C(=O)Nc1ccccc1SCCC#N 553084592 QVIPHWKSMNRCFF-UHFFFAOYSA-N 495.608 5.142 30 20 JKED C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1nc(O)c2c(-c3cccs3)csc2n1 585688279 BLFJFTNKOUFOLA-LBPRGKRZSA-N 450.614 6.124 30 20 JKED C=CCN(C(=O)Cc1c(C)nc2ccccc2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459305 NBASGGIBMDJVRX-UHFFFAOYSA-N 458.543 5.645 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3sc4cccc(Cl)c4c3Cl)s2)cc1 603484060 HHOYTWJKKRNBBQ-UHFFFAOYSA-N 477.423 6.476 30 20 JKED CC(C)CN(C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccc(C#N)cc1 603528959 CIGBROFYSOBVCE-UHFFFAOYSA-N 488.638 5.858 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1Cl 603673408 RQFBRNMEMBDYET-QHCPKHFHSA-N 452.945 6.311 30 20 JKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1NC(=O)c1ccco1 603992301 PVOFYBFQMPUCDT-UHFFFAOYSA-N 453.523 5.791 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4ccc(Br)cc4)CC3)c2)c1 603995377 IRYJXDTVAJYALU-UHFFFAOYSA-N 460.331 5.243 30 20 JKED COc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC1CCCC1 604003134 FAHZHHTWJNRCBK-UHFFFAOYSA-N 456.542 5.914 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(C(F)(F)F)c2)cc1Cl 604131047 XIZXVAYWNVDZEI-HXUWFJFHSA-N 471.866 5.269 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 604499885 WZVQMZQJTRLFIX-UHFFFAOYSA-N 458.484 5.616 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cnn(-c4ccccc4)c3)cc2Cl)c1 609079965 MKBZEBUUXYGRFO-UHFFFAOYSA-N 457.921 5.298 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2Cl)c1 609080362 YTGGFDKCSNVHGZ-UHFFFAOYSA-N 450.882 5.063 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 609378260 YURHEHOCZSCHBK-UHFFFAOYSA-N 481.393 5.638 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N2CCCCC2)cc1 609438521 JCKBEIVERKZMOS-AUSIDOKSSA-N 452.624 5.438 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 609439165 FIGHQQZHDGPLRD-YWZLYKJASA-N 477.552 5.942 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 613401541 CPWUTUOGPNERLU-LJQANCHMSA-N 458.493 6.085 30 20 JKED C=CCc1ccc(OCC(=O)N(Cc2cccnc2)c2ccc(Br)cc2)c(OC)c1 614919673 NBGBDFDWNHSUEV-UHFFFAOYSA-N 467.363 5.193 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 725756825 DYLXLQMTFRMEHP-UHFFFAOYSA-N 457.555 5.056 30 20 JKED CCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 726074262 OZDVSKWDQHSKEB-NSOVKSMOSA-N 495.627 5.871 30 20 JKED COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cc1NC(C)=O 726429710 VLHXNCLGYYGSLR-MDZDMXLPSA-N 458.345 5.410 30 20 JKED COc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)cc1Cl 726570545 DYEUAWQWXIWOPH-UHFFFAOYSA-O 471.389 5.793 30 20 JKED COc1cccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 726570874 MVOQFRWRZUTYKC-UHFFFAOYSA-O 479.025 6.129 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2ccccc2)C=C1 726572479 WNZMZOGXRBOKSF-UHFFFAOYSA-O 452.559 5.148 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1Cl 726890877 MEHQRZXMPBLRIE-FQEVSTJZSA-N 486.018 5.571 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)cc1 726940650 OFDQTOLQXMMNKJ-UHFFFAOYSA-N 481.503 5.884 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc3c(=O)n(Cc4ccccc4Cl)c(S)nc3c2)cc1 726940894 YYGCFXXWHUAWKZ-UHFFFAOYSA-N 489.000 5.256 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)CC1 727560645 HYVKFSGXKZJKSO-UHFFFAOYSA-N 467.569 5.232 30 20 JKED Brc1ccc(-c2nc3c(s2)C(=NNc2nncc4ccccc24)CCC3)cc1 728427604 SNKUBPPTQBOLHU-UHFFFAOYSA-N 450.365 5.668 30 20 JKED Oc1c(Br)cc(Br)cc1C=Nc1ccc(OCc2cccnc2)cc1 728437788 IIIHMEYCCAJRHZ-UHFFFAOYSA-N 462.141 5.642 30 20 JKED CSc1cccc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c2C)c1 728704345 FUSWIHRLJAGCPH-UHFFFAOYSA-N 461.974 5.539 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CCCCC#N)C1=O 728776497 CEPXHKSVWGNPCK-HXUWFJFHSA-N 498.992 5.001 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CCCCC#N)C1=O 728776773 FHAUULKQCGPDSB-JOCHJYFZSA-N 499.036 5.620 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1C 728776903 GIXWQSJBHKWMFE-OAQYLSRUSA-N 469.010 5.611 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)c(F)cc2F)c1 729407163 MSCUHMDNETWAQO-UHFFFAOYSA-N 480.895 5.391 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(CC)c2)N(C[C@@H]2CCCO2)C1=O 730536342 HZIVEIXEEBFKSK-URXFXBBRSA-N 495.645 5.177 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C 731067018 MDBHLQVPLYPHLT-GOSISDBHSA-N 486.593 5.582 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304484 QOZLVOPKAWVGEU-IQGLISFBSA-N 496.592 5.662 30 20 JKED CC(=NNC1=NC(=O)/C(=C\c2cn(CCC#N)c3ccccc23)S1)c1cccc2ccccc12 733783197 ZUHVSWSTUJJTNK-IQQPTTPSSA-N 463.566 5.692 30 20 JKED COc1cc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OCC(F)(F)F 745625540 BLKKQKQQFSRJQS-MDZDMXLPSA-N 475.423 5.243 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(Cc2ccccc2F)C(C)C)c1=S 746033773 XPHQRMLFRKNSNV-JOCHJYFZSA-N 454.571 5.120 30 20 JKED N#Cc1ccccc1N1CCC(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)CC1 747342242 KUCRGTLNDDDSHE-UHFFFAOYSA-N 495.352 5.046 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)c1 747599438 JBOGLBYIHUSCFN-FQEVSTJZSA-N 482.606 5.102 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnc(-c2ccccc2Cl)s1 748003896 LOIMXAFAOLOUKL-AWEZNQCLSA-N 450.734 5.731 30 20 JKED COC[C@H](C)n1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnc1-c1ccccc1 751082557 BGSDNMZIZIFNLX-NBGIEHNGSA-N 497.624 5.539 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3ccccn3)C2=O)c1 837826530 LNTAJAYQWANHCQ-WZONZLPQSA-N 493.032 6.073 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2OC)cc1 838487164 YAHMYYJWHKTGBT-HSZRJFAPSA-N 493.560 5.003 30 20 JKED COc1ccc(-c2nc(Cc3noc(-c4ccc(OCc5ccccc5C#N)cc4)n3)co2)cc1 904333138 KFTCJWZJDREWSM-UHFFFAOYSA-N 464.481 5.442 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)N[C@H]1C[C@H]2CC[C@H]1C2 912844267 OHGUJTZETNNFQI-LEDOBFOHSA-O 478.682 5.322 30 20 JKED CC(=O)N(c1nc(/C=C2\COc3c(Cl)cc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 912858910 KOOXEKRBUAEXDN-NYYWCZLTSA-N 481.307 6.071 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)n(C2CCCC2)c1C 912872432 BULKDTLEUXOTQO-QXMHVHEDSA-N 476.964 5.488 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)cc1 913364454 ANTBKRYVHIEWNH-FQEVSTJZSA-N 458.514 5.258 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914537713 BWCIERIQCSJANB-GAJHUEQPSA-N 461.587 5.054 30 20 JKED C[C@@H](NC(=O)c1cccs1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103052 NNFZWIRIMDIZAS-MFKMUULPSA-N 450.372 5.173 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2n1C(F)F 915104233 NQZDYOUUMCJMTF-FZKQIMNGSA-N 477.298 5.219 30 20 JKED O=C(Nc1ccccc1SCC(F)(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 915339578 VTUOMHALPZPUDV-UHFFFAOYSA-N 485.400 5.391 30 20 JKED COc1cc(OC)cc([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2nccn2C)c1 915351774 CBRFLZKRFFHUDS-UIOOFZCWSA-N 481.556 5.004 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 915352934 KPGRXNPUMVZLMX-MBOZVWFJSA-N 469.429 6.373 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 915892504 YXCGSNVGXYKMHQ-VWLOTQADSA-N 451.574 5.079 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)cc1C 916216233 SAQAGXBWNOSYJW-QHCPKHFHSA-N 494.567 5.180 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NN(Cc2ccccc2)c2ccccc2)cs1 916249741 HXFDCHVSIMTZLL-UHFFFAOYSA-N 454.599 6.485 30 20 JKED N#C[C@@H](C(=O)COc1ccc(F)cc1Br)c1nc(-c2ccc(Cl)cc2)cs1 916652526 BLEZNPJLSSAQNZ-AWEZNQCLSA-N 465.731 5.620 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1Oc1ccccc1 916911127 VUCGDJJRMNCLMM-HXUWFJFHSA-N 485.927 6.067 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1)c1ccccc1 916945786 DKJQGGIAMVETJN-XOBRGWDASA-N 454.313 5.490 30 20 JKED CCOc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916977717 XFVYVBUIRSHQLN-OXQOHEQNSA-N 465.962 5.092 30 20 JKED Cc1cc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)CC2=O)ccc1Br 917027009 SZLPOOGRPINYCV-AEFFLSMTSA-N 480.387 5.110 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1sc(-c2cccc(Cl)c2)nc1C 917505145 KBOFZAITYXOYRJ-MRXNPFEDSA-N 469.950 5.099 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 917653890 XNIONSQRIPJLBM-QFIPXVFZSA-N 483.540 5.115 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)c1 917690406 WANLCKUBSGMSFJ-HSZRJFAPSA-N 458.587 5.113 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)n2)cc1 918488896 FOLDENHZYXWHSB-QGZVFWFLSA-N 470.019 5.562 30 20 JKED CCOc1cc(/C=C2/CSc3ccc(Br)cc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C 920069599 VNVQVOMQWGTEOQ-FBKCMUNRSA-N 490.419 5.075 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CSCc1ccc(Cl)cc1Cl 920108693 IUYXSRIONXSVQP-CQSZACIVSA-N 471.793 5.545 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 920110271 NRADRFCTXHFGLX-FQEVSTJZSA-N 464.308 5.405 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](C)c2ccc(C)s2)C1=O 920170125 JRRJAKJEWRNGQH-VGOFRKELSA-N 479.627 5.787 30 20 JKED N#C[C@@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2s1 920324410 LGLRXGSOXNYWKD-OLWLNQEASA-N 483.637 5.416 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2c(C)cccc2C)no1 920352594 QGQIJTYHDHFPFB-HXUWFJFHSA-N 482.993 5.414 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2c(C)cccc2C)no1 920352768 SWYNBSQHFFRJSI-FQEVSTJZSA-N 484.528 5.039 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)c(F)c2)c1 920353424 JHHBPWHQOXZOIM-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2C)no1 920353488 LAUMQFDTPRERKY-NRFANRHFSA-N 482.993 5.414 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 920354924 IOEBUKRWEKMIQO-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2cccc(Cl)c2)no1 920357545 VHOCJGIITIGZOM-IBGZPJMESA-N 489.384 5.450 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc3c2CCCC3)cs1 920373816 OYGQXKMPOSUCGB-UHFFFAOYSA-N 458.509 6.171 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3F)n2)n(C2CCCC2)c1C 920733326 WPCLQKQCCXSGSL-UHFFFAOYSA-N 466.538 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CCO2)C1 1779243900 FIQFWSZLEFWZGQ-PIKZIKFNSA-N 498.067 5.064 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C3=Cc4ccccc4NC(=O)C3)CCC2)cc1 1786102901 DMZWCVHDRDQWNU-UHFFFAOYSA-N 469.585 5.315 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3cccc4ncccc34)cc2)CCC1 1786344810 NYQQTZSFMYSQEU-BUHFOSPRSA-N 495.604 5.412 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)CSC4CCCC4)cc3)CCC2)c1 1786346772 RYIDJDYAOXEGKS-UHFFFAOYSA-N 461.631 5.301 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C)nc(O)c3)cc2)CCC1)c1ccccc1 1788595072 WQZJBMGZUHSXRU-VWLOTQADSA-N 467.569 5.041 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C4(NC(=O)OC(C)(C)C)CCCCC4)cc3)CCC2)C1 1789217312 UGDDAWZDGKRDNG-UHFFFAOYSA-N 481.637 5.314 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3Cl)CCC2)cc1 1789453083 JJTBSRPXDLOQMD-HXUWFJFHSA-N 469.029 5.808 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](NC(C)=O)c3cccc(Cl)c3)CCC2)cc1 1789455724 ATABNGAUOCOESA-LOSJGSFVSA-N 494.035 5.420 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@@H]3CCc4cccc(Cl)c43)CCC2)cc1 1789578218 GZSDPMPKWDSKNZ-IIPRTONHSA-N 475.976 5.216 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4c(-c5ccccc5)cn5ccccc45)cc3)CCC2)c1 1790035020 UDHAPGUBGHTVHS-UHFFFAOYSA-N 499.574 5.868 30 20 JKED Cc1cc(C)n2ccc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5Cl)cc4)CCC3)c2n1 1790082515 DUAROOISCUBODS-UHFFFAOYSA-N 497.986 5.538 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3O)cc2)CCC1 1790807430 FNQQRUJGWBSNME-GOSISDBHSA-N 476.598 5.037 30 20 JKED COc1ccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(F)c1 1791482649 RCCLTHBWBFRBIB-RIYZIHGNSA-N 483.543 5.361 30 20 JKED Cc1cc(C)n2ccc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@H](C)C#N)c5)cc4)CCC3)c2n1 1792127155 RCSJCVRDUASOLO-LJQANCHMSA-N 491.595 5.640 30 20 JKED Cc1cncc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)c1 1792169586 RSXLAZIKDIXETH-UHFFFAOYSA-N 496.611 5.429 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1F)C2 1797103274 PSBKGZWVBDFXRB-BTTYYORXSA-N 492.391 5.330 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ncccc2c1)c1ccc(C#Cc2ccccc2)cc1 1797326126 HGFGNFJTEOXPED-PKQPGRETSA-N 485.587 5.200 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)c(Cl)c1 1800691685 QPMDUAGRLRNCIR-ACDBMABISA-N 498.970 5.519 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(N(C)Cc2ccccc2)c(F)c1 1800811414 ZSYBRCPLVAJUFW-TWHAJKEOSA-N 481.587 5.065 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2c2cccnc2)cc1 1802686779 RBDNMGZJWQYMPS-KSSDPHPASA-N 472.633 5.083 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1803559806 IRWFQORCJYBDKS-DVECYGJZSA-N 498.048 5.252 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1 1804863675 LLXIERNMJQZVIN-OFNKIYASSA-N 450.627 5.019 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC2(CCCN(C(=O)CCc3cccc(C#N)c3)C2)CC1 1805329056 LQPGGENIRDIBGL-UHFFFAOYSA-N 489.685 5.131 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)CC2)C1 1806678896 RHFIKEUCSGHZHT-UHFFFAOYSA-N 480.674 5.148 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1810171467 FRGQSMSBCAVQBM-INNMJMHTSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1810178207 MYUIOBMHALKWHH-PMAPCBKXSA-N 473.951 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1810488143 DDKCMOFTZXRVFY-UDLLKNRZSA-N 451.636 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1811057004 PHZPVEAVNQCNAK-VWNXMTODSA-N 488.657 5.517 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1811286284 LVWHBKCZUYUISU-VRUMLPLGSA-N 498.652 5.637 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811719446 ZSTGICQMXSQSKK-IRPSRAIASA-N 495.623 5.962 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1)c1ccccc1 1811722014 RSOBXZVLCVRUAG-VYLXUYPLSA-N 498.602 5.242 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1812074256 IKUXEWKUAFQEPJ-VRUMLPLGSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1812370334 JYNZZPLIBVECCB-TZBSWOFLSA-N 480.678 5.359 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccccc3)CCC2)[C@H]1c1cccnc1 1812987891 YDIBLWKOGIIKHN-UKILVPOCSA-N 459.634 5.202 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1813228963 HCSHIUYZXBAENH-RLWLMLJZSA-N 486.443 5.221 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)[nH]n1 1814443345 UIBKOOMXXBDJPA-HXUWFJFHSA-N 465.623 5.626 30 20 JKED Cc1cc(Cl)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1814593111 WYOAGXGFJLDZOL-JBVUFVISSA-N 482.993 5.178 30 20 JKED Cc1c(Cl)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814599729 MEWZUQDEGYVZBK-QMHKHESXSA-N 475.980 5.618 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1814829777 UCEXCBJZDWWLJL-JOCHJYFZSA-N 465.985 5.619 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[nH]n1 1815657947 OFPYXUDPEFRYST-IBGZPJMESA-N 492.567 5.072 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)c1 1817000547 UWSPMTYYJPIBII-XMMPIXPASA-N 490.007 5.192 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1)C(F)(F)F 1817764983 WDSAWVXREUZANE-LJQANCHMSA-N 487.457 5.035 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818163777 DXNZDCNMJOWVEZ-UZLBHIALSA-N 482.968 5.220 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(F)(F)F)c[nH]2)n[nH]1 1818207805 CDICOOXIBKLYDU-KRWDZBQOSA-N 451.493 5.055 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCCC[C@@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818939557 FPEFSXSHCJTFNW-OAHLLOKOSA-N 492.395 5.216 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)[nH]n1 1819556935 QQHCWQBVVFWDGZ-HXUWFJFHSA-N 468.598 5.034 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)[nH]n1 1819557112 XYRTVERUHLBOFV-QFIPXVFZSA-N 482.625 5.044 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3scnc3c1)CC2 1819759136 VPPVYCDRPVDONQ-QGZVFWFLSA-N 496.734 5.030 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)n[nH]2)CC1 1820115762 IVDCOAAOJLWHRH-FQEVSTJZSA-N 484.585 5.229 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cnccc34)[nH]n2)c1Cl 1820219833 ZRRZODLIVYRIQM-QFIPXVFZSA-N 484.947 5.103 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820223664 OIRQJBMXEQOEGJ-HXUWFJFHSA-N 498.370 5.216 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)cc2s1 1821438524 SEFYCDWWKKMBDW-QFIPXVFZSA-N 486.601 5.071 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)[nH]n1 1821922801 POLXAZZYMUOHTG-UGSOOPFHSA-N 466.916 5.183 30 20 JKED Cc1ccc([C@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1822059886 PDKPNDGFNLDADI-CPJSRVTESA-N 469.589 5.018 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@]3(C)CC=CCC3)n[nH]2)cc1C#N 1822980688 JSXVYZUQSUCSQV-AJTFRIOCSA-N 475.593 5.121 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1823927864 DDLLYDNTEOYPFR-NRFANRHFSA-N 491.072 5.583 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 1823978289 ZNNVWHBNRZAIRT-CLOONOSVSA-N 464.009 5.249 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1824139973 UVDGWFBFYVIJSG-JOCHJYFZSA-N 477.571 5.031 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1824140685 CYQRAWMKNGIDIN-VWLOTQADSA-N 475.633 5.652 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1 1824143238 JBONYOUCVPYNBI-NRFANRHFSA-N 463.544 5.102 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1824961654 VTUSGGZUNWHZCL-NRFANRHFSA-N 483.049 5.030 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1825221720 WOVTZCSXOJEMPJ-XMMPIXPASA-N 491.598 5.421 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1 1826264126 BNWPIZDQFNRSLI-DNQXCXABSA-N 489.701 5.046 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 1827336358 FUWJMQINJAEOFD-NDEPHWFRSA-N 492.623 5.476 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ncccc34)CC2)c1 1828031042 BOSWYJKSJWMUDD-PIKZIKFNSA-N 480.612 5.409 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2c1 1828526578 BHPAQRAPDXWMOF-FQRUVTKNSA-N 499.611 5.616 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828656916 OORJNMODTYXIKH-HSZRJFAPSA-N 469.423 5.412 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(=O)Nc2ccccc2)CC1 1828824483 LXQKALOUMXMFPL-CLJLJLNGSA-N 479.665 5.184 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1 1828879017 ZOPPYTKOJUENER-MPUBODTJSA-N 460.709 5.175 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCC=CO2)CC1 1828898485 XEHMDZBNSMHFFL-FQLXRVMXSA-N 482.624 5.012 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccoc2)CC1)c1ccccc1 1829035067 KUBWASVKKHBIEI-RRPNLBNLSA-N 460.618 5.029 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cn2)CC1)c1ccccc1 1829223068 LZQJNMKPQCMHAR-AHWVRZQESA-N 478.036 5.166 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c[nH]1 1829687789 HBXVEAXJEXEHBE-QFIPXVFZSA-N 481.040 5.384 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274667 GNXAFWQCPXMVGB-ZEQKJWHPSA-N 494.079 5.664 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1830475875 XHSXAHNOBFBDPQ-XMMPIXPASA-N 485.962 5.231 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1831444540 RXGXEYXQRXBLKL-QFIPXVFZSA-N 482.999 5.330 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1831510495 ULUPJMHRDBEXRM-RXFWQSSRSA-N 461.581 5.124 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 1831716970 OXAMANDOQSGPFX-DSITVLBTSA-N 499.493 5.366 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1831845934 SMIINCBPOAQFPX-CJFMBICVSA-N 482.715 5.531 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2SCc2ccccc2)CC1 1831851487 GTZKCHNLBVPTHK-SANMLTNESA-N 489.685 5.411 30 20 JKED COc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832635501 IAODCCZCUOEFHR-BCHFMIIMSA-N 477.580 5.008 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832666950 QKHRSAYMWTUPSW-YADARESESA-N 494.035 5.523 30 20 JKED Cc1c(F)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832702935 PTNGLACWSTYKCL-SANMLTNESA-N 491.607 5.340 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3C3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)c[nH]c2c1 1832961478 XEEJMWJYIKOXNU-KSGUIJNZSA-N 494.639 5.224 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)CC1 1838424633 RDOHEPLVUNXILM-UHFFFAOYSA-N 468.682 5.344 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)C1 1844648976 UTHWRWPCFMXXON-UHFFFAOYSA-N 498.703 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1 1845451654 OFUXRFIEUOYWME-UHFFFAOYSA-N 456.590 5.039 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1ccccc1)C2)c1ccc(O)cc1 1846414364 HHDBZQCWTYJRBQ-DEOSSOPVSA-N 494.591 5.199 30 20 JKED C#CCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 1846779787 HITMNSBFENMCHY-UHFFFAOYSA-N 470.491 5.118 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O 9794183 OHTHLHSHRFLDMR-UHFFFAOYSA-N 499.777 5.051 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)cc1 10172419 KIPPAZLIGBHNTC-UHFFFAOYSA-O 483.613 6.646 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1C 11161065 DBWDWWQWTZWJEI-UHFFFAOYSA-O 451.562 5.799 30 20 JKED CCOc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(C)c3C)=C2C)cc1 11207126 MEZMYWKDKIBJBJ-HHHXNRCGSA-N 496.636 5.922 30 20 JKED O=C(COc1ccc(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)cc1)Nc1ccccc1 11330688 DOEOOVLCDKKRAS-NTEUORMPSA-N 468.431 5.101 30 20 JKED Cc1ccc(NC(=O)c2sc3nc(/C(Cl)=C/c4cccc(C#N)c4)[nH]c(=O)c3c2C)c(C)c1 14179241 JILQCQPNBYJCDW-WQRHYEAKSA-N 474.973 5.771 30 20 JKED O=C(C[C@@H]1S/C(=N\c2cccc(Br)c2)NC1=O)Nc1cc(Cl)cc(Cl)c1 16938636 KCJHQMWDUJXLCR-AWEZNQCLSA-N 473.179 5.004 30 20 JKED Cc1cccc(C)c1OCc1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1-c1ccccc1 22138570 NMFZSOSTBJYIOD-NRFANRHFSA-N 489.645 5.286 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(CO)c1)c1cc(F)ccc1F 22690190 UCRVEFCRHDPPCC-UHFFFAOYSA-O 481.516 5.110 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CC)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1Cl 25513679 BYQQKYBOHCMGJP-HXUWFJFHSA-N 491.444 5.806 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2cccc(C)c2)c1C 28695901 PCDOGBAUPNYBPL-UHFFFAOYSA-O 464.611 5.072 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 32306776 LCWIBMDVKIGKKE-UHFFFAOYSA-N 455.583 5.053 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nc2sccc2c1=O 36800042 GDILJGMOUNSDGH-OAQYLSRUSA-N 477.611 5.515 30 20 JKED CCN(CC)CCN(Cc1cccs1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 71944228 YOYKOUUGALCOSX-UHFFFAOYSA-N 475.618 5.248 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 105605933 MGSGTBPBSXTISO-SFHVURJKSA-N 466.010 5.520 30 20 JKED CCN(Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1)C(C)C 110121043 USIHLLOSRZSVGD-UHFFFAOYSA-N 451.621 5.185 30 20 JKED N#CCCCOc1cccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 110397182 XFZKEYKRRPQMPU-QGOAFFKASA-N 459.358 5.863 30 20 JKED N#Cc1c(NC(=O)c2cc(Cl)ccc2I)sc2c1CCCCC2 323027357 UXHSFJDHZABMNM-UHFFFAOYSA-N 456.736 5.399 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)O[C@H](C)C2 409813410 DRAJLHJFNOKDEI-KAZGAHJFSA-N 484.571 5.752 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)cc1Cl 436526274 FACGLVZFKGXKIT-QHCPKHFHSA-N 488.975 5.127 30 20 JKED CC1(C)CC[C@@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c2ccccc21 481383562 UACBQCOZCRQWKL-XMMPIXPASA-N 471.532 5.144 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 485679499 BPJJDDXSJWFSTL-KRWDZBQOSA-N 481.474 5.314 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)cc2)cc1 487691111 SKSFDXPYAJVBFM-HSZRJFAPSA-N 477.467 5.084 30 20 JKED COc1ccc([C@H](NCC(=O)Nc2ccccc2SCC#N)c2ccccc2)cc1Br 488086694 VOBQOHFWCLMWFD-XMMPIXPASA-N 496.430 5.391 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 493033599 FUCUPKKTBOQCCE-UHFFFAOYSA-N 467.319 5.169 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(OCc4cscn4)c3)c2)cc1 501451806 PHOKKMGWVUANKC-UHFFFAOYSA-N 455.539 5.619 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 502663468 CGCPYVGWIYHAHE-UHFFFAOYSA-N 474.374 5.481 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 502688827 AIQJWFJEIQLHOZ-HNNXBMFYSA-N 479.901 6.149 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccnc(Oc4ccc(F)cc4)c3)c2)cc1 502949424 MWSPOCQRXLMDKS-UHFFFAOYSA-N 482.515 5.980 30 20 JKED C[C@@H](NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1ccc(C#N)cc1 503163180 BCHBCNJWGKFDMQ-SNVBAGLBSA-N 487.791 5.321 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 507813281 QQAFCJIECODAEJ-LJQANCHMSA-N 486.572 5.280 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)cc1 508147107 KLQXATQAYUHOFU-INIZCTEOSA-N 459.409 5.383 30 20 JKED Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510058235 USSOUUCQBNWFHB-JOCHJYFZSA-N 457.965 5.865 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510665769 MBGFWBXFZIRANO-UHFFFAOYSA-N 493.361 5.524 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(Br)cc4)c3)n2)cc1 512482069 AYQSERLMKONXHL-IBGZPJMESA-N 474.343 5.120 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccc(C(F)(F)F)cn1 513201184 GFJRZMZLYRJCRN-MRXNPFEDSA-N 488.263 5.605 30 20 JKED C[C@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)c4nc(O)c5c6c(sc5n4)CCCC6)cc3c2C1 513676459 FUAHURMQCTYSLG-UGSOOPFHSA-N 456.571 5.372 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCc1cccc(Oc2ccccc2)c1 514551438 CASMMYXFYASJHL-UHFFFAOYSA-N 478.508 5.101 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1 514562227 HXKCVPHDRSLJNV-UHFFFAOYSA-N 451.983 5.068 30 20 JKED Cc1sc2nc([C@@H](C)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)nc(O)c2c1C 515736827 WGNOWVCBGBIPOC-CYBMUJFWSA-N 450.951 6.504 30 20 JKED CC1(C)Oc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2O1 516394473 KULDPTUMCSRNKM-UHFFFAOYSA-N 459.527 5.049 30 20 JKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1SC[C@H](C)C#N 519432809 AVBRFYIUUQKTTE-OLZOCXBDSA-N 453.789 5.760 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1 519486624 SFDDXDBHQSARNK-XMMPIXPASA-N 461.587 5.088 30 20 JKED COc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1 520842273 QWIKJIHXQOBHFV-NDEPHWFRSA-N 491.547 5.512 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cscn2)c2ccccc2)nnc1-c1ccc(Cl)cc1 520870925 OXRGRDOANAOBRA-UHFFFAOYSA-N 482.034 5.567 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 520940320 NJRIXEBROSYHRW-GOSISDBHSA-N 450.608 5.921 30 20 JKED N#C[C@@H](C(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 521780905 QYNLBESBZILNCL-IBGZPJMESA-N 494.544 5.552 30 20 JKED C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2[N+](=O)[O-])C1 521800464 NKWYJGKOXXOEQT-KZNAEPCWSA-N 452.580 5.724 30 20 JKED CCCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)C1CCN(C(=O)c2ccccc2)CC1 522256612 ZVVITMDVXVDPEN-UHFFFAOYSA-N 450.582 5.243 30 20 JKED Cc1ccc(C)c(Oc2ccc(CNC(=O)c3occc3COc3cccc(C#N)c3)cn2)c1 522588641 WUUZJHPBHPMPJI-UHFFFAOYSA-N 453.498 5.464 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4)nc4onc(C)c34)n2)cc1 523229761 AFGRLACZRNAOCB-FQEVSTJZSA-N 466.522 5.820 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 523632506 QZCFYUAPSPLDNV-OAQYLSRUSA-N 498.564 5.271 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1 553337815 WAXADBSLUPNZLK-OXJNMPFZSA-N 477.552 5.942 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 556432047 IWUWEXLBGICUQE-UHFFFAOYSA-N 470.019 5.666 30 20 JKED CSc1nnc(CCCNC(=O)Nc2cccc(C#Cc3cccs3)c2)n1C1CCCC1 590323191 POOFUBDWEJYUGY-UHFFFAOYSA-N 465.648 5.331 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1I 602348736 VMJTZWDXTFLKNH-UHFFFAOYSA-N 456.308 5.566 30 20 JKED Cc1ccc(-c2csc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)c(C)c1 603586709 ZJCVFNNCRUZKPM-UHFFFAOYSA-N 473.558 5.402 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603619108 LVVXPTVPWORUQG-LJQANCHMSA-N 486.597 5.874 30 20 JKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 603817911 OJUYPRDUZFNTRE-QHCPKHFHSA-N 460.965 6.056 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)cc1 603831030 GPIDRKVUIXREDF-UHFFFAOYSA-N 477.524 5.628 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)cc1 604461949 ZBUHHLUZDQNJKC-HUUCEWRRSA-N 471.401 6.382 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 604562138 YZNHZOULPCJYOC-NRFANRHFSA-N 466.541 6.252 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)C)cc2)o1 608929904 AZFXDXIWBHONDI-KRWDZBQOSA-N 450.564 5.296 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 608971658 OPTULMWEWKURTR-VWLOTQADSA-N 455.945 5.467 30 20 JKED CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 609020746 VCXZVBXUZVSOAZ-JOCHJYFZSA-N 456.933 6.421 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2Cl)c1 609079985 PACCYQDAEVVDQT-XMMPIXPASA-N 465.912 5.535 30 20 JKED C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 609109918 VLFZOCZNNSYHBZ-DFBJGRDBSA-N 453.546 5.048 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427349 FQNFSFYUARTIHB-HSZRJFAPSA-N 475.932 5.256 30 20 JKED CC(C)OCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccccc12 613404703 PPVVEIXZZNBTIT-OAHLLOKOSA-N 458.461 6.476 30 20 JKED O=C(Nc1cccc(COc2cccc(F)c2)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642511867 JTSXNRPXDHUERA-HWWDLCQESA-N 478.408 6.436 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 684353940 BINNPKYBWZEIRB-UHFFFAOYSA-N 473.627 5.647 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCn2c(S)nnc2-c2cccc(C)c2)cc1 725898008 OYPNBMBQUODZMP-UHFFFAOYSA-N 485.569 5.244 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2cnn(CC)c2)cc1 726178122 DPOCMLPCVYCPIB-UHFFFAOYSA-O 478.642 5.188 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 726317923 FXDJRWISIRBHGW-GOSISDBHSA-N 467.472 5.753 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1ccc(Cl)cc1Cl 726321392 JHZQZVGUUBZZIS-AWEZNQCLSA-N 469.284 5.070 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2sccc2C)c1 726405197 LAQNMTSNLUOHMW-NRFANRHFSA-N 477.586 5.337 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)s2)c1 726413555 UDDIGPBCRCIRLN-QFIPXVFZSA-N 477.586 5.337 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccccc1 728776219 AILUXHJQZWCXNJ-LJQANCHMSA-N 475.401 5.648 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc(F)ccc2F)cc1 729634632 PGOUCZSFUWITGQ-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 730442888 ZTBMBVVTSKWTBB-QFIPXVFZSA-N 497.020 5.456 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)c(Cl)c1 730720863 OEEBDGOMOLYLID-OAQYLSRUSA-N 497.020 5.722 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 731068178 UQTRHQFXSQFDLZ-LJQANCHMSA-N 497.576 6.056 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2C)c1 731307624 ITBNIXHKOWCXOX-XMMPIXPASA-N 489.597 5.178 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccccc1)c1cccs1 731311508 DINJCPGWNCJOLR-JCPNLMEESA-N 479.627 5.086 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(Br)c1 732779274 HWUZZVGBFJYITJ-LJQANCHMSA-N 490.423 5.218 30 20 JKED CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 745626882 SZQKTIREHQIXGF-VOTSOKGWSA-N 495.167 5.463 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(C)cc1 746698160 WFLQIGVLDXQLLL-JOCHJYFZSA-N 453.608 5.080 30 20 JKED N#Cc1ccccc1N1CCC(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 747336874 JVBVTMUJJXVTAH-UHFFFAOYSA-N 454.555 5.341 30 20 JKED CCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)nn1-c1c(Cl)cccc1Cl 749049380 QKOUTUCHJQUFBJ-MRXNPFEDSA-N 478.339 5.251 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)ccc1OCC(F)(F)F 750933347 DQIXNVASWMDBBU-UHFFFAOYSA-N 494.539 5.410 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2cccc(F)c2)c1 837349013 UVFWDBCKAYFCMQ-QHCPKHFHSA-N 495.551 5.176 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)cc1 857648605 XTPXZZAFRINCNY-IBGZPJMESA-N 495.052 5.257 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 877875588 OPHRRXAFENPPPY-OAQYLSRUSA-N 495.583 5.480 30 20 JKED COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1OC 880574260 REUVNRFGXMYZLE-UHFFFAOYSA-N 477.520 5.003 30 20 JKED COc1ccc(-c2nc(CC(=O)N(O)Cc3cc(Cl)cc(Cl)c3)cs2)cc1OC 901379528 FNLPTNLOZBCXAH-UHFFFAOYSA-N 453.347 5.095 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(NC(C)=O)c1 913117726 GAZFWAXPXDZJRS-JOCHJYFZSA-N 466.607 5.104 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccccc2COC(C)C)c(C)c1 914545729 LYRWAFACQJUZTQ-DEOSSOPVSA-N 479.646 5.029 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3OC)N(Cc3sccc3C)C2=O)c1 914556661 HZXXGKXKXVFBHW-NRFANRHFSA-N 495.626 5.234 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(F)c2)c1 914772662 JTRFCOALODMUDA-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1nc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1SCC#N 916088629 WWPJZURRCMGKPZ-NSCUHMNNSA-N 451.417 5.757 30 20 JKED Cc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)n1C1CCCCC1 916880881 RBCQEMQMSJRYTH-DGXIYAMASA-N 455.566 5.011 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 916905056 LQJSXRXJTHUJAN-GOSISDBHSA-N 462.889 5.255 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 916910252 SAQRZQBINFFRJZ-WIOPSUGQSA-N 495.579 5.296 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916916147 ONPWTUYJEWJVJK-JOCHJYFZSA-N 498.995 6.222 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 916925960 WDHUPDZPYBXEKT-INIZCTEOSA-N 481.961 5.322 30 20 JKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044898 VODGLTHGHWYMIK-ONGXEEELSA-N 459.276 6.266 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccoc2C)n(Cc2ccccc2)c1=S 917457636 MZGSUOBMRYAGIN-UHFFFAOYSA-N 457.603 5.772 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)cs1 917559853 NZLXETPHVNAWIX-YVMONPNESA-N 485.334 6.372 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3)s2)cs1 917560216 SWJMMKVGQJRISG-FMIVXFBMSA-N 464.999 7.106 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(SC(F)F)cc1 917654015 QWXFSZHDBQIBPT-IBGZPJMESA-N 493.601 5.307 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2C)n1 917664076 CKYMKYRBGKIJDT-QFIPXVFZSA-N 480.540 5.137 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(F)c1 917687927 XNTPZEQGGWSXJW-LJQANCHMSA-N 497.514 5.150 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C)cc3)C2=O)cc1 917700055 CARUKGVEAGFDMP-RUZDIDTESA-N 496.592 5.230 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CC1(c2ccccc2)CC1 917704045 RBEMMPLFQRFHMR-DEOSSOPVSA-N 498.583 5.389 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)s1 917704743 YFOFDRBFXOITSV-JOCHJYFZSA-N 492.601 5.482 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 918248359 ZQCOWICRRBBBIO-ZHRRBRCNSA-N 451.448 5.177 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(C)cc2C)o1 920109939 WRKWBZLMWHLHBU-SFHVURJKSA-N 466.921 5.407 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ncnc4sc(C)c(C)c34)n2)cc1 920144465 RQGRTNYSCIYUPK-QGZVFWFLSA-N 480.640 5.799 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2cccc(NC(=O)CC(C)C)c2)C1=O 920751791 PSIWNWOHJCGPBM-HSZRJFAPSA-N 494.661 5.062 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3c2oc2ccccc23)C1 1781444640 LNRFYXUEQQLWPR-FYBSXPHGSA-N 488.628 5.706 30 20 JKED O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3ccc(F)cc3C(F)(F)F)CCC2)cc1 1787876897 HJWSYOMCLZVPCW-UHFFFAOYSA-N 462.365 5.545 30 20 JKED CN(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cc1 1788650082 VIGDPXOOXBKROM-CCEZHUSRSA-N 473.598 5.001 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1 1788881504 ABOLHKVEOGKYSS-AKJBCIBTSA-N 499.995 5.150 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(F)cc45)cc3)CCC2)c1 1789333098 LEXFGABANJWKFB-QGZVFWFLSA-N 481.531 5.391 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)Sc3cccs3)cc2)CCC1 1789413123 ABYDGVKFUKSOQC-GOSISDBHSA-N 458.649 5.346 30 20 JKED COc1ccc(Cl)cc1CC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790290366 LNAKFXOVHXEKBS-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCc3noc(-c4ccccc4)n3)cc2)CCC1 1790355425 ZWUZBEALLIMVBL-UHFFFAOYSA-N 480.515 5.015 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CCC1 1790465355 WMBCHXQDWQFKIY-FQEVSTJZSA-N 460.965 5.289 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)/C=C/Sc3ccc(C)cc3)CCC2)cc1 1790512652 QNECFIAXLNOLAZ-SAPNQHFASA-N 478.614 5.244 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4F)CCC3)cc2)cc(C(F)(F)F)c1 1790785136 OTVVKXCVFISBGN-UHFFFAOYSA-N 482.437 5.173 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)nc1 1790785177 SQSQIBGVIVVAFL-UHFFFAOYSA-N 494.473 5.042 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Br)cc4c3)cc2)CCC1 1790868030 VSJRTUAEDGTVLL-UHFFFAOYSA-N 477.362 5.049 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnn5cccc(F)c45)cc3)CCC2)c1Cl 1790992541 BWDMRQUGEYMVRH-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)c3cc(OC)ccc3OC)CCC2)cc1 1791252274 LUMNOEGHMQPZNG-IBGZPJMESA-N 478.589 5.013 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)CCC2)cc1 1791574389 KHSZRJWDUQJJQC-AWEZNQCLSA-N 455.967 5.061 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccccc3F)CCC2)cc1 1791593636 ZOXCGYLSGSWZIZ-QHCPKHFHSA-N 495.595 5.492 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5[nH]ccc45)CCC3)cc2)c1 1792123750 QCWFKXXCWONILD-GOSISDBHSA-N 463.541 5.251 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4snnc4C4CC4)CCC3)cc2)c1 1792124053 ZVKWFERSCZKCCL-MRXNPFEDSA-N 471.586 5.104 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)cc3)CCC2)c1 1792154843 SXWZHITXDPXHPQ-UHFFFAOYSA-N 475.552 5.318 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)cc2)CCC1 1792206719 PJMYKVJKDMLKBB-SIKLNZKXSA-N 469.626 5.192 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1792266401 UUSCQPNJKGUYRE-FGCOXFRFSA-N 493.648 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2cc(-c3ccccc3)ccc12 1796542137 BLYPYHQICDSPAY-UEQSERJNSA-N 468.601 5.250 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ccccc12 1797277282 LTOFSNHIWDVBKF-WKCHPHFGSA-N 475.539 5.365 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C(F)(F)F)CC1)c1ccc(C(F)(F)F)c(F)c1Cl 1797887272 ABZJZPLVDIXVBX-JGPRNRPPSA-N 486.815 5.092 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Br)cccc3n1)C2 1798335024 UBLHWEYBFPIXJB-FCGDIQPGSA-N 482.422 5.018 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnc(-c3ccccc3)s2)c1 1798950319 MQEVYXLVCNGMCF-OCYFJXFZSA-N 470.598 5.003 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2ccccc2)c1Cl 1799551229 FRNNBQNULCTJNG-WKCHPHFGSA-N 485.971 5.570 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)c(F)c1 1799706471 BSIHPNWAKKLZQG-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C/C=C(/C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C)C2 1801619001 CZJBRMJAZFBZSJ-WZTBOIFOSA-N 477.690 5.235 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(Br)cc2)c1 1802013280 ZCXXZKMMEVNKIK-TZZGUVCFSA-N 492.417 5.041 30 20 JKED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1802995524 SPXMRANALPUNQV-RCMJEOAVSA-N 489.660 5.125 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)/C=C/c3ccc(CCCCC)cc3)[C@@H]2c2cccnc2)C1 1802995612 UGERYCOUNBQNIT-NYXWNMTLSA-N 471.645 5.500 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1802996092 UQWDZIADJCMBSW-JBFRLEFOSA-N 471.645 5.337 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)Cc4ccc5ccccc5c4)CC3)C2)cc1 1804756164 YJNRBIUMQSKFPL-UHFFFAOYSA-N 479.624 5.118 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807836479 VBAFDTZKQCZZFH-LBNVMWSVSA-N 496.655 5.764 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1810171684 GYODCOOYNJVDDH-RQTOMXEWSA-N 457.574 5.224 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cccc2Cl)[C@H]1c1cccnc1 1810505072 MEPLOMFHCAJFIY-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1812200022 RIKVYZTYPBLOFB-XXBNENTESA-N 477.630 5.314 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CCC3)[C@@H]2c2cccnc2)cc1 1812514432 SAJGYTPJRARKLY-BVAGGSTKSA-N 499.014 5.048 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1813820626 DHWKNZHLJUVDRQ-REWPJTCUSA-N 454.014 5.355 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3c3cc(NC(=O)Cc4ccc(C#N)cc4)n[nH]3)c[nH]c2c1 1814500754 SZKLRYBJZUNNIP-LEYIMRRPSA-N 492.583 5.019 30 20 JKED Cc1c(F)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814610231 OLSIRFAOPRVVKR-MWTRTKDXSA-N 459.525 5.104 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)[nH]n1 1814827730 WRFSTBBFZLDVSZ-NRFANRHFSA-N 489.542 5.217 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1 1815656344 QBNGDJXAQDIMRM-LJQANCHMSA-N 481.449 5.261 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3sc4ccccc4c3Cl)n[nH]2)C1 1818605508 KKPROWVGXIFXQQ-QGZVFWFLSA-N 454.983 5.550 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)ccc2n1 1818676871 RMJBPLGLDXSXHP-QYBDOPJKSA-N 492.583 5.513 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)cc12 1819053912 HPRZCKSSNFAJNF-RQWLHQTBSA-N 487.585 5.006 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1819491018 JMHVAVRWOZBUOX-BIHRDVDLSA-N 480.685 5.458 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)[nH]n1 1819555377 DCSJVROIVMLJRO-OAHLLOKOSA-N 469.533 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)[nH]n1 1819556920 QCDLTYLRVZAXTE-HXUWFJFHSA-N 491.558 5.441 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820219960 ANQSMDCSNTYNPQ-IBGZPJMESA-N 453.974 5.233 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)[nH]n2)c1 1820485209 DGQBABCKZDBSEG-QFIPXVFZSA-N 472.936 5.036 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2F)n[nH]1 1820997122 AZLMUUROAGJYQD-RDPSFJRHSA-N 480.584 5.412 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)c1 1821273188 BIKFVFASAWIMJL-INIZCTEOSA-N 492.363 5.408 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)[nH]n2)c(Cl)c1 1821274250 AACXNEAGVFPMOJ-QFBILLFUSA-N 475.927 5.066 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821611816 RRYBHGHPYKVFGH-GMAHTHKFSA-N 486.572 5.188 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(Br)ccc2Cl)[nH]n1 1821926396 OUWDNAYERMMGNF-AUUYWEPGSA-N 493.833 5.273 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)n[nH]1 1822488553 KAECIJKRBKOOPW-LJQANCHMSA-N 480.918 5.120 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 1824137700 MRMRVMQPLPUSCB-JIMJEQGWSA-N 452.614 5.317 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1824538798 SKIRJKHDMJEDGU-HVFVVBAHSA-N 454.636 5.020 30 20 JKED CNc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1826851535 CXJGEVOEYDZWGJ-RUZDIDTESA-N 467.730 5.013 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683973 SIGRSFGIKARVJH-ZUTVHTERSA-N 494.657 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc4occc4c2)CC3)c1 1827696445 BZKYATWGNVTXQP-FOIQADDNSA-N 470.554 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)CC1 1827852909 ZZUSGEDOFDBZGW-OAQYLSRUSA-N 465.560 5.326 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1828889462 RLIRJAFRBLTNRT-URXFXBBRSA-N 468.663 5.016 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CC2)CCC1 1829564265 JSBWJEZMJIHMFU-AREMUKBSSA-N 495.627 5.157 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)c1Cl 1829689375 CBYWUEPCTZLBCK-LJQANCHMSA-N 460.361 5.005 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689872 AUQOENZVQPNRCC-XMMPIXPASA-N 498.143 5.496 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829938158 YEZXFVHHSVGLDB-HSZRJFAPSA-N 469.507 5.124 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)cc1C#N 1829973685 KPQKYVHQCIKJMP-VWLOTQADSA-N 494.035 5.546 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1830712739 LPRONSBYMIZBMZ-LJQANCHMSA-N 498.496 5.312 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830717960 AQBOFRUGTNSYLB-HSZRJFAPSA-N 487.497 5.263 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1830772184 XZBLTTREXFKPCY-OCHSWLLGSA-N 481.640 5.222 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1831375083 YRAXQMKIBMXCMU-WWNPGLIZSA-N 491.717 5.148 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1831852440 KMBVQHCZYXUOHS-MHZLTWQESA-N 459.634 5.131 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCCC3)CC2)cc1C#N 1832701654 NQJLWZXPDQOTAX-AREMUKBSSA-N 479.665 5.549 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)cc1C#N 1832703749 RLZLCYKFBIVZQH-VWLOTQADSA-N 494.035 5.546 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1837685557 RLMWKQXNTOTRLY-YKSBVNFPSA-N 476.608 5.026 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2C#N)n1-c1ccccc1 9928657 RCZLNEWQLIENBP-UHFFFAOYSA-N 469.570 5.066 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760594 RZDATAISBCQBSM-UHFFFAOYSA-O 456.006 6.387 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)cc1F 11083186 NMHLFRCEUVSQNV-UHFFFAOYSA-O 459.610 5.840 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc2c(c1)CCCC2 11257775 YOTMSEXCOVTCIF-UHFFFAOYSA-O 471.980 6.144 30 20 JKED C=CCn1c(SCc2ncc(Cl)n2C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 14762958 MTQJMHLAAKHHCF-UHFFFAOYSA-N 460.987 5.438 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 21723248 MUGFTIHBRHADDR-KRWDZBQOSA-N 498.027 6.280 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)CC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 23626052 YYAIDQWFXYCACW-HIFRSBDPSA-N 459.612 5.154 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nc2sc(C)c(C)c2c1=O 28682025 XQCXOPGBSSZXKJ-ZDUSSCGKSA-N 464.012 5.042 30 20 JKED C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(C#N)cc1 33180124 JBZOXOQZNZVESZ-GFCCVEGCSA-N 452.358 5.273 30 20 JKED COc1ccc(CSc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 36630428 AIMFCGWTHDWLGA-INIZCTEOSA-N 470.645 5.266 30 20 JKED CC(C)Cn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1F 105406619 HIDUBEICENNJTN-LJQANCHMSA-N 491.617 5.832 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)s2)cc1 107767304 HVLMCDKQTUMLDX-UHFFFAOYSA-N 489.538 5.655 30 20 JKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)CSCc2ccc(C#N)cc2)cc1OC 303051160 JHSWNSROZCFIKR-XMMPIXPASA-N 460.599 5.217 30 20 JKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)oc2ccccc12 481168050 UGPVWBLZBYJFCQ-QGZVFWFLSA-N 471.488 5.147 30 20 JKED CCC(CC)(CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccc(Cl)c(Cl)c1 483933221 YSMMLNKTCXEQPS-UHFFFAOYSA-N 472.420 5.331 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC2)c1 501702563 VIYWIEOTMCAJBV-UHFFFAOYSA-N 486.553 5.109 30 20 JKED C=CCn1c(SCc2cc(Br)ccc2OC(F)F)nnc1-c1ccoc1C 506613547 RJQYYJJXRIVMCH-UHFFFAOYSA-N 456.312 5.689 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)cc1 509674343 WCGIGXKHBFHLPD-LJQANCHMSA-N 476.330 5.105 30 20 JKED C[C@H]1CN(Cc2ccccc2CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H](C)O1 509904413 IJHUJHKGLFWAKU-ZRZAMGCNSA-N 498.627 5.263 30 20 JKED CCc1ccc([C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N(C)C)cc1 511309762 YUHXCMCYBJVQNN-HHHXNRCGSA-N 456.590 5.318 30 20 JKED N#C[C@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 513696309 WHZBYDTWYWUMQJ-LJQANCHMSA-N 492.564 5.013 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 514060906 VQYATYPNPUIDRZ-UHFFFAOYSA-N 452.511 5.008 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 514355559 VTEXMEAKYYRBPL-SFHVURJKSA-N 475.474 5.307 30 20 JKED N#C[C@H](C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc(-c2ccccc2)cs1 515542978 BEKNRRAMFPQDNX-JOCHJYFZSA-N 458.564 5.274 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 515676725 WYPFJALURJDPMG-UHFFFAOYSA-N 466.566 5.732 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 515690755 MROTZJMRVBMMJO-KRWDZBQOSA-N 481.524 5.379 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)cc1 517440100 FIEVSOLGPCFPSB-UHFFFAOYSA-N 465.600 5.078 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)n2)cc1 517800656 AFGBRRNOFSODGC-HXUWFJFHSA-N 495.951 6.271 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccccc4S[C@H](C)CC#N)cc3C2=O)c1 518240050 RVNUBKLZUCFCTL-GOSISDBHSA-N 469.566 5.751 30 20 JKED N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccc(Cl)c1Cl 518709192 LIJLOMWZIKBMDT-LJQANCHMSA-N 494.787 5.442 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(C(=O)NC4CC4)c3)cc2Cl)cc1 518998255 CSLRKQICVNPTSF-UHFFFAOYSA-N 460.921 5.218 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3CSc3nc4ccccc4o3)CC2)c1 519139596 XWWDZAOBZYWPCB-UHFFFAOYSA-N 469.566 5.675 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 519414833 YVAWRXCYFZKIFD-OAHLLOKOSA-N 478.578 5.080 30 20 JKED C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 522470195 JXGSFYAVMGFMQS-LJQANCHMSA-N 459.521 5.159 30 20 JKED CCN(CC)Cc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 523129746 RYCHSGXIQFYFNB-UHFFFAOYSA-N 458.581 5.451 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C 524141249 IWOCJBUPLFMSPR-VWLOTQADSA-N 477.511 5.117 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 524424443 XIQPTPISYORBEZ-QHCPKHFHSA-N 481.474 5.194 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3ncc(C)o3)c2)nnc1-c1ccc(Cl)cc1 524616569 NJQXXCMCAWEJMC-UHFFFAOYSA-N 465.966 5.479 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc(C)nn3CCC#N)c3sc(N4CCCCC4)nc3n2)cc1 556093669 NFANGHRUCURURY-UHFFFAOYSA-N 485.617 5.328 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)o2)c1 597897511 OGONXIYKKHZFRR-MRXNPFEDSA-N 472.517 5.382 30 20 JKED CCn1ncc2c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc(-c3ccccc3)nc21 603600826 BZDAVZIJQKJKFP-UHFFFAOYSA-N 474.524 5.738 30 20 JKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603618797 OYJZJWYDNSDZGR-UHFFFAOYSA-N 486.494 5.479 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603689349 IFEZZRYJOLVLRW-UHFFFAOYSA-N 488.935 5.893 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(Cl)ccc1I 603968690 IRZLXLDXXFDUCZ-UHFFFAOYSA-N 464.715 5.797 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 604490633 HYQGRXGOGVVHKX-JYQLYUNWSA-N 458.602 5.080 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)CC1 608945319 FYBVDXGDHXEWIQ-NRFANRHFSA-N 498.505 5.795 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2Cl)c1 609080589 PAZWOTAJPLRXKR-QFIPXVFZSA-N 464.953 5.342 30 20 JKED CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609088696 BXFQDFDJZWWLGK-HSZRJFAPSA-N 491.975 5.395 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)c1 609105112 TUPHNWWYOVIPKE-JOCHJYFZSA-N 486.547 5.467 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccnc1Oc1ccc(Br)cc1 609377525 WQFXPEMSPVMTFD-OAHLLOKOSA-N 468.376 6.140 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cc1C 609382627 JQSJSPULOFXRGL-KRWDZBQOSA-N 479.627 5.608 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1nc2cc(Cl)ccc2s1 613407299 PLWKNAJXHCGWPB-GOSISDBHSA-N 474.998 6.380 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-n2ccnc2)c1 613708149 QIOLEWDBGMZLGV-UHFFFAOYSA-N 492.988 5.159 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)C[C@H]2OCCc3ccccc32)c1=S 725782819 OVAADSXPORUWBP-JOCHJYFZSA-N 471.026 5.036 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\[C@@H](C)c1cccs1 726421984 RAGJFOJOHPVSNJ-ZBJWALSZSA-N 478.437 5.047 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2ccccn2)C1=O 726423053 ZGOPGLKUFBIQOI-IPTCSCHISA-N 499.061 5.695 30 20 JKED Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3occc3COc3cccc(C#N)c3)cc2)cc1 726498294 KUVHCIZSNZPOCF-UHFFFAOYSA-N 466.493 5.535 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OC)cc2)cc1 726570754 KOVDOXXZJMEINO-UHFFFAOYSA-O 450.971 5.393 30 20 JKED CCOc1cc(/C=C\C(=O)c2sc(-c3ccccc3)nc2C)ccc1O[C@@H](C)C(=O)N(C)C 727780098 HBJJRGIEUXCLMQ-FFWXCITRSA-N 464.587 5.269 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@@H](c3ccccc3)N3CCOC3=O)cc2Cl)cc1 728244238 JIGWDDIMNVSDOV-QFIPXVFZSA-N 461.905 5.526 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)cc1 728412254 STXWLHDUINEVKV-KRWDZBQOSA-N 470.360 5.186 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c1 729143416 QZZBJBMNIWHSLM-FQEVSTJZSA-N 464.616 5.229 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 729144111 BNDUSDNPLBNWDH-GOSISDBHSA-N 488.997 5.405 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 729145645 MWPVJKCICADDBM-QFIPXVFZSA-N 486.622 5.765 30 20 JKED CCn1c(S)nc2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc2c1=O 729319078 GRTZQJGDIBBQHP-FQEVSTJZSA-N 474.973 5.266 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C2CCC2)C1=O 730462064 LHSOGXCSENKNFF-HXUWFJFHSA-N 452.967 5.033 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1Cc1ccco1 730523960 OIGWVXOJRABCHD-QHCPKHFHSA-N 493.585 5.020 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)cc1 730720616 SFCPBAMDOHFAAM-HXUWFJFHSA-N 468.966 5.105 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)s2)cc1 730921552 WHQCYSJGVXETON-DFBJGRDBSA-N 494.620 5.898 30 20 JKED FC(F)(F)Cn1c(-c2ccncc2)nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1=S 744146620 HPLXEIHUNLMRGM-RYUDHWBXSA-N 493.399 5.059 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2F)c1 745584225 NBNODRCQSCMLTJ-JOCHJYFZSA-N 499.514 5.273 30 20 JKED CCCOc1c(Br)cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1OCC 745626433 PDDKDTKBTNBZEF-HJWRWDBZSA-N 474.351 5.489 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 746698047 SQOLSQSFPNFQJS-HXUWFJFHSA-N 477.989 5.256 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cscn3)C2=O)cc1 747600142 NTYDHAOVHSQWGL-QFIPXVFZSA-N 492.626 5.123 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)CC1 749313507 SOOMDBVGMANXSH-SGKRCEGKSA-N 469.607 5.073 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)cc1 825891691 OXGWXKHFVYKTBM-GOSISDBHSA-N 467.529 5.043 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 837637756 HRJVQPXVSMVAIE-JPYJTQIMSA-N 476.577 5.559 30 20 JKED CC(=O)Nc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)cc1 873944607 TWUCMZPDYSQLJH-XMMPIXPASA-N 486.597 5.114 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 900058323 XZBDDONJCWPMRR-BENRWUELSA-N 468.987 5.879 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1Cl 914551448 DNOWEPBDJRBNSW-HTAPYJJXSA-N 479.005 5.134 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)[C@@H]1c1ccccc1OC 915097849 BXZBRGAKYICIGW-JXQFQVJHSA-N 461.587 5.261 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccco2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915104106 KRONRDHRJMFBFN-LBPRGKRZSA-N 476.461 5.036 30 20 JKED COc1ccc2c(C)c(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c(=O)oc2c1 915104155 MCPCAXLOWYBZPL-KRWDZBQOSA-N 486.471 5.548 30 20 JKED N#C[C@H](C(=O)COc1ccc(Br)cc1Cl)c1nc2ccccc2n1C(F)F 915107316 PEHQAOQZCPBNNK-LLVKDONJSA-N 454.658 5.103 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccccc2SCc2ccccc2)nn(-c2ccccc2)c1N 915329470 DBTAHZPSABFQFA-UHFFFAOYSA-N 482.613 5.373 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2c(C)cccc2C)cs1 915912432 SJJBDMLOFNQPHI-UHFFFAOYSA-N 451.621 5.382 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1OC 916135750 NUGRMEXDKLGOFX-CLTKARDFSA-N 492.380 5.986 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O 916210282 ZIYWSKHTQWZUGG-FQEVSTJZSA-N 475.973 5.391 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccccn3)C2=O)cc1 916212578 YQHKQWMTLMKGTJ-QFIPXVFZSA-N 495.004 5.294 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(C[C@@H]3CCCO3)C2=O)c1 916217150 GLIIPNNQZKPFAG-SQJMNOBHSA-N 487.625 5.596 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(NN=Cc3c(F)cccc3Cl)c([N+](=O)[O-])c2)c(C)c1 916262624 LAMOVVKUODBSSI-UHFFFAOYSA-N 476.917 5.251 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3cnc4sc5c(c4c3=O)CCCC5)s2)cc1 916288818 WTKQZEWFDRZOQC-UHFFFAOYSA-N 455.996 5.381 30 20 JKED Cc1ccc(Sc2ccc(C=Nn3cnc4sc(C)c(C)c4c3=O)cc2[N+](=O)[O-])cc1 916310781 JQFRTRKRMCFIGD-UHFFFAOYSA-N 450.545 5.325 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 916911647 CTWOGOWNSXBSMO-QFIPXVFZSA-N 490.357 5.225 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 916912030 YYOUXUPZHNXNOG-GMAHTHKFSA-N 475.932 5.047 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2n1C(F)F 917045685 ZTOCDZHIKNZORP-PGRDOPGGSA-N 496.311 6.190 30 20 JKED C=CCN1C(=O)N[C@@H](c2cc(F)ccc2F)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 917375352 BABPDWZTKHYQKG-IBGZPJMESA-N 451.395 5.149 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C)c1OC 917664428 HYDZVUIVYLEIDN-HSZRJFAPSA-N 489.597 5.173 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2)CC1 917678831 OIISOEGKOHNPJI-QFIPXVFZSA-N 499.080 5.563 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1C 919337423 FMQMZUCUWNUTPA-UHFFFAOYSA-N 488.769 5.304 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2c(C)noc2C)C1=O 920354874 ICHUALWAXDREBK-HSZRJFAPSA-N 492.601 5.077 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c1 920355101 KGIYMGARHNYFCE-JOCHJYFZSA-N 462.575 5.069 30 20 JKED C[C@@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)Nc1ncc(Cl)cc1Cl 920636618 OMMFLUBPWAVNCU-CQSZACIVSA-N 470.312 5.023 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)cc2)CCC1 1785816601 WKBUSEDVJIWHRF-NJDAHSKKSA-N 483.653 5.368 30 20 JKED Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)C#N)cc2)CCC1 1785933581 QFFJSIXURWHZTA-UHFFFAOYSA-N 475.980 5.038 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)cc1 1786334428 XCZWDJGMMCDJHM-CLJLJLNGSA-N 497.570 5.186 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1789493195 YAUXPPHXLRVVMH-GKXKVECMSA-N 487.644 5.072 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5cc[nH]n5)cc4)CCC3)cc2)c1 1790075893 QRTBLVCEAXHBHK-UHFFFAOYSA-N 491.551 5.018 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)c1 1790710231 CONOJKHBNJIUEL-UHFFFAOYSA-N 476.536 5.583 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791250558 UXZIMQBMIOOUMC-SFTDATJTSA-N 483.653 5.370 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)CCC2)cc1 1791589545 JRKAOOIODCDZKC-QHCPKHFHSA-N 469.626 5.170 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCc5ccccc5[C@H]4O)CCC3)cc2)c1 1792122514 BNOSHDLWYDSIMZ-JTOILGAVSA-N 493.607 5.357 30 20 JKED Cc1nc2ccncc2cc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123496 DYURFXOXBPJLFI-IBGZPJMESA-N 489.579 5.627 30 20 JKED Cc1nc2sccn2c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792125401 YMOLFVAGLOZBKK-KRWDZBQOSA-N 483.597 5.393 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)cc3)CCC2)c1 1792154792 OTNYQODIQFQMDV-UHFFFAOYSA-N 479.515 5.149 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](c2ccccc2)C(C)C)cc1C#N 1793209312 LQYGERSNUNUNPI-SPGPFUFCSA-N 473.617 5.037 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(C#N)c3Cl)cc2n1 1799302457 NSUPRNSQYYZNRG-REPLKXPHSA-N 493.394 5.287 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)nc2)[C@@H]1c1cccnc1 1802332985 COQZVDCNUSVSJC-URXFXBBRSA-N 462.638 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)on2)[C@H]1c1cccnc1 1802354876 KTCVIKWDLSLVOT-RCZVLFRGSA-N 472.589 5.049 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)[C@@H]2c2cccnc2)C1 1802414878 ARSMEJLXWRALQW-RPLLCQBOSA-N 483.612 5.064 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cccc(Cc4ccc(F)cc4)c3)[C@@H]2c2cccnc2)C1 1802415048 DLYUJLAPIQGMLK-LEAFIULHSA-N 483.587 5.097 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)[C@@H]1c1cccnc1 1802498893 OYYVUJMEZUDQEB-YADARESESA-N 462.569 5.014 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1803088837 PREYEMBXQQXERZ-AUSIDOKSSA-N 465.644 5.446 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1803455447 YBZBKVCQQBDAGC-HOFKKMOUSA-N 490.047 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccnc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1804860971 UVWKYFIEMLSJKR-VWNXMTODSA-N 462.638 5.086 30 20 JKED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1806622927 WPJDHUCWFJQJNR-BVRKHOPBSA-N 485.587 5.120 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)C2)CC1 1807753964 HRZMUKZAJWZCQZ-UHFFFAOYSA-N 484.591 5.192 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1)c1ccccc1 1809242513 DBCXYCTVZFKDBQ-ALTZYDRJSA-N 491.591 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1810494275 CZLYVMHYCWGHBW-JYFHCDHNSA-N 486.616 5.357 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811749237 PPLONWRTRCPOCU-ATIYNZHBSA-N 495.067 5.923 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1812523115 XFIGGJNTOBUHQK-NVQXNPDNSA-N 478.036 5.056 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1812696533 VSNNREFUVFHELP-FBILRYNDSA-N 469.746 5.355 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2ccc(C(F)(F)F)cc2)n[nH]1 1815150077 FCQPDUXUUGDILY-UWJYYQICSA-N 492.542 5.035 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1816463156 ZIBKCJDIRHAMQM-NRFANRHFSA-N 477.540 5.239 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(C(F)(F)F)o1 1816472525 UWXQFORFWYYMLX-XOBRGWDASA-N 499.493 5.577 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817745689 YWQIIWCFGUTHKM-NRFANRHFSA-N 479.531 5.297 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1819309601 XSYSLEZETFSAJY-FYYLOGMGSA-N 464.610 5.661 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1)NC(=O)OC(C)(C)C 1820806967 GBSYQDZNTKRSJG-CTNGQTDRSA-N 487.645 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc3ccc(Cl)cn3c2C)n[nH]1 1821564614 RBZZXPHEFMZIDE-ICSRJNTNSA-N 481.000 5.094 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1821924613 FEZIIKMFYJBZHS-KOSHJBKYSA-N 459.594 5.335 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)[nH]n1 1821987801 SUOMHAKYCCTOGA-INIZCTEOSA-N 496.440 5.108 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)cc2Cl)n[nH]1 1822310068 RKHMEFHPTHLQEG-UFSNDUKISA-N 468.985 5.243 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)[nH]n1)c1ccc(O)cc1 1822468463 SZZVTFGCQFQKMX-NWSQWKLXSA-N 498.574 5.130 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3c(Cl)cccc3s1)CC2 1823084434 ALVLXCMPJXHQSP-OLZOCXBDSA-N 491.038 5.038 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212426 VIJUORRJQZJPFE-SBUREZEXSA-N 487.604 5.855 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cnccc3nc2C)CC1 1823752044 JWCBPSMFXMPWHB-VWLOTQADSA-N 462.638 5.164 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1824053395 WEWRZOMBDLBQCO-OZXSUGGESA-N 489.582 5.028 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nscc23)CC1 1824143933 WKQNHQPIAVENHP-XMMPIXPASA-N 451.636 5.298 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824392114 LHPZXKMVRSFKPE-UQBPGWFLSA-N 496.076 5.626 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1824532678 GEMODRNMSRVULS-FCHUYYIVSA-N 462.059 5.009 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ccccc4c3Br)CC2)CC1 1826682822 BOXMIFHMPSNNNS-QFIPXVFZSA-N 494.433 5.139 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)CC1 1826683178 DJPJFUYRTFOKHC-XMMPIXPASA-N 457.574 5.016 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828420912 DNFLNPDQCSBMBW-WIOPSUGQSA-N 498.706 5.575 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1)C(F)(F)F 1829573486 CZPRAKNXUKKRBO-OAQYLSRUSA-N 499.533 5.780 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)c1 1829956419 HNBFBWDZDBXAOQ-SANMLTNESA-N 487.003 5.307 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830001947 PCJXMUYYENOTRB-XMMPIXPASA-N 483.534 5.433 30 20 JKED COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc(C(F)(F)F)c1 1830802681 NHTBPICLGHQDJK-XMMPIXPASA-N 499.533 5.133 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)cc3Cl)CC2)c1 1831773038 FMMWBYVVXHPBKC-AQBQYSGMSA-N 492.019 5.172 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832631257 BKLFAAUHEGVDSV-XXAUWVGASA-N 472.633 5.048 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(F)(F)F)ccn3)CC2)c1 1832634090 RONNSYLPUPSEBZ-UUOWRZLLSA-N 498.549 5.275 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)cc1 1847212743 DAWJLWBZRLUUDP-DQEYMECFSA-N 494.620 5.216 30 20 JKED C[C@](C#N)(NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)C1CC1 9823688 UDVIPVOITOFIIW-HSZRJFAPSA-N 486.428 5.201 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(C)=O)nnc1-c1ccc(Cl)cc1Cl 9825827 IRPCMDZMIFYALW-UHFFFAOYSA-N 461.374 5.371 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(Cc2ccccc2)cc1 10118325 PEKRBMWMQURTLO-UHFFFAOYSA-O 493.652 6.113 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc2c(c1)OCCO2 10179686 IKFLCXUPODSWQC-UHFFFAOYSA-O 475.634 5.656 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 10827579 WXICPMPDZQDGAJ-UHFFFAOYSA-O 458.072 6.654 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1c(C)cc(C)cc1Cl 11089410 NIGDHVCKQCHKSB-UHFFFAOYSA-O 458.434 6.511 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 11261400 DUWCGAGHDKDZPH-UHFFFAOYSA-O 461.651 6.455 30 20 JKED Cc1cc(CSc2ccccc2C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)on1 16543042 CNDLXBAUPFERGP-MRXNPFEDSA-N 495.626 5.661 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)n(-c2cccc(F)c2)c1C 16687575 SFOLKVYCTIBFTJ-UHFFFAOYSA-N 494.983 5.285 30 20 JKED C=CCN(C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)c1nc(-c2ccccc2)cs1 18085064 PTVPICOYOMTEIU-UHFFFAOYSA-N 496.514 5.516 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 18802507 USCHPAWZECCKIT-UHFFFAOYSA-N 485.590 5.888 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 21742051 PADYFHYIQVCKOP-UHFFFAOYSA-N 467.353 5.220 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1c(C(C)=O)oc2ccccc12 23518332 FGTJBVMSOPAMBO-INIZCTEOSA-N 494.548 5.250 30 20 JKED Cc1sc2ncnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)c2c1C 24510987 YWXNYVJHNCYQNS-UHFFFAOYSA-N 461.616 5.377 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1S[C@@H](C(=O)Nc1ccccc1)c1ccccc1 25036283 MSHLJJHNVYDALW-HSZRJFAPSA-N 479.565 5.260 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)nnc1-c1ccc(Br)cc1 25190107 GVPQLTCJKYVVTD-IAGOWNOFSA-N 485.451 5.294 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 28905380 SMARBGIVEOWNQR-UHFFFAOYSA-N 455.971 5.229 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nc2sccc2c1=O 36800026 QQQBUINAPHKXQL-HXUWFJFHSA-N 492.582 5.333 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2sccc2c1=O 36800651 WLGOOLFIPMSMBF-VIFPVBQESA-N 474.822 5.724 30 20 JKED COc1ccc(-c2nc(SCc3coc(-c4ccc(Br)cc4)n3)[nH]c(=O)c2C#N)cc1 109125176 LFNUVAFHYFLYRN-UHFFFAOYSA-N 495.358 5.027 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)s2)cc1OC 195664173 VFPMZXCZUBHIQO-CQSZACIVSA-N 469.975 5.889 30 20 JKED COc1cc([C@@H](C#N)NC(=O)/C=C\c2cc(C)n(C3CCCCC3)c2C)cc(OC)c1OC 207523109 YIHLULSCSUIAQB-SSSWZJSRSA-N 451.567 5.030 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)nnc1-c1ccccc1F 216283804 UDTMWOQSYFIKMO-LJQANCHMSA-N 493.589 5.395 30 20 JKED COc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1 302588072 GMZGIOJCAZZJNF-UHFFFAOYSA-N 451.910 5.301 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 303046935 XIRBVDXTKQMAFF-UHFFFAOYSA-N 464.487 5.722 30 20 JKED Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1NC(=O)CN1CCCCC1 303091965 ZSJSGIJNAMUSCB-UHFFFAOYSA-N 482.584 5.122 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(SC)cc1 480432015 GROSFZVZPNMDDC-VWLOTQADSA-N 489.597 5.594 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 482762678 SKQKFAYPIMRUFM-UHFFFAOYSA-N 458.490 5.227 30 20 JKED C=CCN(C(=O)c1cccc(Cl)c1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491028849 RCMAKZZBNIBSIB-UHFFFAOYSA-N 467.399 5.353 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 499301066 NYMOUWOPBDMLBF-UHFFFAOYSA-N 497.511 5.103 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)C2CCCC2)nnc1-c1ccc(Cl)cc1 499582861 BFAFAJLOYPHEDQ-UHFFFAOYSA-N 456.999 5.441 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 505154331 GSYJDLGAIKFZCZ-GOSISDBHSA-N 475.639 5.892 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 506740593 ARCAWWIPEQFQBU-UHFFFAOYSA-N 483.587 5.410 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 508391621 UPYBJSBDVZRETQ-SANMLTNESA-N 476.536 5.034 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1Cl 510024135 SHKVNJFMXBMAQG-QFIPXVFZSA-N 487.028 7.017 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)s2)cc1 510215929 ZSOGRKNCKSLPDD-UHFFFAOYSA-N 455.996 5.552 30 20 JKED C[C@@H]1CCCCN1Cc1ccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510251362 FBPAKAPNKJISPD-GOSISDBHSA-N 492.674 5.398 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Br)cc1 511304402 IMQVLPSNJYLWGR-KRWDZBQOSA-N 464.363 5.977 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nc2ccccc2s1 513655668 SXCKRLJIBQDJPU-FQEVSTJZSA-N 453.523 6.123 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 516357527 SBJORPYTQJIKNU-UHFFFAOYSA-N 463.925 5.144 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)cc1Cl 516469591 HIGAANJNQQDPCA-MHZLTWQESA-N 480.999 6.667 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 518170262 ZHIHUACQVOJENO-NRFANRHFSA-N 481.625 6.172 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 519071779 AXHYKWSEDMOMKQ-UHFFFAOYSA-N 497.368 5.133 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 519432810 AVBRFYIUUQKTTE-QWHCGFSZSA-N 453.789 5.760 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 521206401 HJDQXNHLSAPGPG-UHFFFAOYSA-N 451.983 5.003 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(CCC#N)CC(C)(C)C 521486509 QDRUOIULFNJSJN-INIZCTEOSA-N 468.648 5.474 30 20 JKED CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521742964 VBMGWCIEEYJJCO-DOTOQJQBSA-N 455.546 5.371 30 20 JKED COc1cc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)ccc1OC1CCCC1 522576535 QWTBPCSQABXWET-SFHVURJKSA-N 460.530 5.551 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Br)cc2Br)c1 523956574 CPZPVUUECYMLIS-UHFFFAOYSA-N 476.124 5.508 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(c3ccccc3)CC2)c1 524470485 CORCXUPYUWSZGI-UHFFFAOYSA-N 455.583 5.309 30 20 JKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2sccc2C#N)c1OC 603563628 NQLYMIHFNMOBCW-JQIJEIRASA-N 467.550 5.924 30 20 JKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1NC(=O)c1ccc(Br)cc1 603640390 FHMKDIAPLHQDFU-OAQYLSRUSA-N 466.310 5.144 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 603640614 RZEBPMUMDFQKLK-UHFFFAOYSA-N 459.977 5.185 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1Cl 603766049 LCGCCKVOZUNOET-LJQANCHMSA-N 466.324 5.586 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1sc(-c2ccccc2)cc1C#N 603969074 ZHMVFECUAYLDSO-UHFFFAOYSA-N 481.503 5.684 30 20 JKED CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 603981090 NAQHNFLIZSTGAN-UHFFFAOYSA-N 477.586 5.117 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)o2)cc1 604004063 XJNMJFCUJSXTPY-UHFFFAOYSA-N 451.526 5.866 30 20 JKED C[C@@H](NC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(C#N)cc1 604127200 IBJPHNZXEZYZGP-GFCCVEGCSA-N 461.362 5.323 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 604365891 LKOOEHSEPLAIQF-UHFFFAOYSA-N 459.512 5.247 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN(C)C[C@H]3CCCO[C@H]3c3ccccc3)c2C#N)C1 604521201 BXNJUWAJCJMVKX-BSWQBHCVSA-N 451.636 5.173 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 608882612 WTQRRTJWZDVMRS-UHFFFAOYSA-N 489.885 5.363 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccccc4C(F)(F)F)c(F)c3)CC2)nc1 608995463 RVJBETJCJZVHRO-UHFFFAOYSA-N 499.468 5.694 30 20 JKED COc1cc([C@@H](C#N)NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC 609007205 INZOMAIIXBWBFG-QGZVFWFLSA-N 492.384 5.066 30 20 JKED COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609089087 AFEMDAMINGFGHH-QHCPKHFHSA-N 489.959 5.101 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cc4sc(Nc5ccccc5)nc4s3)CC2)c1 609185297 TVNLRTSEAZHNOL-UHFFFAOYSA-N 460.584 5.657 30 20 JKED COc1ccc([C@H](NC(=O)NCc2ccc(C#N)cc2F)c2ccccc2)cc1Br 609252811 LTXGXBOHLYRENN-JOCHJYFZSA-N 468.326 5.057 30 20 JKED COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)NC2CCN(CC#N)CC2)cc1 609330155 KPAZEFSAPHFVSN-UUZBPDLYSA-N 480.612 5.084 30 20 JKED COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3S[C@H](C)CC#N)co2)cc1 609389023 UAJHKOWCCWMFGC-MRXNPFEDSA-N 453.589 5.616 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 609401455 QWMAPHLLDYKBOM-LJQANCHMSA-N 463.525 5.553 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 609401926 KHIVYCJVGZUHDO-OALUTQOASA-N 465.623 5.077 30 20 JKED COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1 609430875 ZZYNHTWPEDFIGA-SFHVURJKSA-N 495.626 5.451 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc12 613318978 LOWSFQNVLBETJY-HNNXBMFYSA-N 466.360 5.861 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613319873 OGTLREFEYQUXNE-GOSISDBHSA-N 477.998 6.292 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1nc2ccccc2n1C(F)F 613404452 RNBFMDCPQWLJGI-MRXNPFEDSA-N 477.858 6.021 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)CCCC(=O)N2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 617955585 WHQVAZPBLBUXAH-UHFFFAOYSA-N 472.397 6.225 30 20 JKED O=C(Nc1cccc(COc2cccc(F)c2)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618542191 ZECYBKHVHRKDDR-GJZGRUSLSA-N 464.381 5.999 30 20 JKED C=CCOc1c(Br)cc(CNc2ccc(N=S3(=O)CCCC3)cc2)cc1OC 630060829 AUJZDLZBERPTOA-UHFFFAOYSA-N 465.413 5.528 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 726393150 MVKRKIXESQBYMR-JTSKRJEESA-N 471.598 5.334 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 726396453 FBUKHKUNKLMVDV-KUHUBIRLSA-N 497.514 5.230 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2nc(C)c3ccccc3n2)c1 726400294 QFFLJPQITQOIIA-DEOSSOPVSA-N 495.608 5.407 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)n2ccc(=[N+](C)C)cc2)c1 726573455 DZTBVUZREWFIRW-UHFFFAOYSA-O 469.417 5.131 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2ccccc2c1 728780131 OCJLHKDDFQRVPR-DEOSSOPVSA-N 481.581 5.366 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C(=O)N1CCCCC#N 728780800 ZPEBTGKMOSVHOI-QFIPXVFZSA-N 493.589 5.120 30 20 JKED COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 729553478 QGBZPISQBXSIHG-LJAQVGFWSA-N 461.565 6.585 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=S)Nc2ccccc2C#N)C1 730438798 RMOYZNDHTRFNKX-OAQYLSRUSA-N 450.608 5.157 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)cc1 730459726 MRRRVLGDPHCZRD-FQEVSTJZSA-N 473.957 5.195 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730460907 IMRACHLXHHAVSY-SFHVURJKSA-N 465.472 5.357 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(Cl)c1 730720254 PIQHWOXRTYLOOP-LEWJYISDSA-N 492.004 5.086 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Br 731071605 UIDLMLHKFGJETL-GFCCVEGCSA-N 467.772 5.292 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccccc1 731072118 ZXEJLOCJJTUZTR-GOSISDBHSA-N 462.575 5.043 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 731075915 OMNJHESCQDZSJL-OAHLLOKOSA-N 488.491 5.081 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 731114018 CAMKRMRIDRXMOA-SVFBPWRDSA-N 472.655 5.582 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(SC(F)F)cc1 731303912 DVPFQDUQBIEQSK-SFHVURJKSA-N 479.574 5.323 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)ccc2C)cc1 731306447 BPDKIEFYRCBTEU-XMMPIXPASA-N 489.597 5.178 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(C2CC2)C1=O)Nc1cccc(O)c1 731312184 IXONMCKYKRUQJT-QHCPKHFHSA-N 457.555 5.182 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)c1 743526262 USWSDFJSQMWLRA-XMMPIXPASA-N 490.604 5.615 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(SC)c(OC)c1)C(=O)c1ccccc1 746341875 JBYHAMXMWRKCEW-QJOMJCCJSA-N 459.611 6.447 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C=C\c3ccc(-c4ccccc4Cl)s3)CC2)c1 749147205 FIOWCLGLJVVLEZ-LUAWRHEFSA-N 476.001 5.831 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 755343101 ZDUVUWFZFZQRJV-UHFFFAOYSA-N 450.722 5.045 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2cccc3ccccc23)=C(/O)c2ccc(C#N)cc2)cc1 762440656 YVONWFFAGAFMGG-UHFFFAOYSA-O 450.587 6.275 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(CC(F)(F)F)C2=O)cc1 799214849 JBHNQGVOBFGUBO-FQEVSTJZSA-N 491.535 5.535 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CC(F)(F)F)C2=O)cc1 799218659 CZAKMBIHHGFOJP-INIZCTEOSA-N 455.889 5.171 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 814521868 OKANKLWJYIZGMR-UHFFFAOYSA-N 491.623 5.292 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3ccccn3)C2=O)cc1 837302431 WTJDGQCHKAXCTJ-CVDCTZTESA-N 458.587 5.420 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2F)cc1 838031135 AJFMAPPLGCNHGY-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1F 838257847 LSBMMVSSVQHJJJ-NYHFZMIOSA-N 498.530 5.529 30 20 JKED O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 857501874 NHRQMNMTEBQKDL-UHFFFAOYSA-N 481.755 5.877 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2csc(Br)c2)c1 914554926 AZMSMIHSGNGJLG-UHFFFAOYSA-N 451.415 5.284 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 915085436 LYDZZVCJJACDHU-VWLOTQADSA-N 487.987 5.495 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 915891533 OGPUXJGUTFFHLM-RUZDIDTESA-N 451.574 5.079 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2ccc(Cl)c(C(=O)O)c2)c1 916259301 CUNDCOYHXAADAB-UHFFFAOYSA-N 476.920 5.354 30 20 JKED COc1cc(C=NNc2ncnc3scc(-c4ccc(C)cc4)c23)cc(OC)c1OC(C)=O 916543067 GQKWZHBMIAGBNH-UHFFFAOYSA-N 462.531 5.055 30 20 JKED COc1cc(C=NN(Cc2ccccc2)Cc2ccccc2)ccc1OCc1c(C)noc1C 916543431 QTTFPDYFSCYAOF-UHFFFAOYSA-N 455.558 5.915 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2s1 916847813 QMDFGMRWKDXFTL-INIZCTEOSA-N 455.370 5.825 30 20 JKED N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)C(=O)Nc1ccccc1Oc1ccccc1 916907552 JKSYIFGIAYKRAH-SFHVURJKSA-N 473.579 5.918 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1cccc(C#N)c1 917377613 FEKWDXQUESSREZ-AREMUKBSSA-N 466.610 5.778 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)Nc1ccccc1C#N 917612157 KTSFIZLETMGJFK-UHFFFAOYSA-O 485.633 5.528 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(CC)cc1 917681907 RSWQTELEFMLFNJ-FQEVSTJZSA-N 493.551 5.265 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCCC1 917703072 LJYHXMWWGCMMGO-IBGZPJMESA-N 487.412 5.768 30 20 JKED N#Cc1c(COC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cn2ccccc12 919535835 WPPHYHJSFNPXMR-YWEHKCAJSA-N 463.537 5.034 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 926219980 JOMIBTNNWXIFBJ-GOSISDBHSA-N 482.005 5.501 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c4ccccc34)C2)C1 1778395435 HMGNPTOJMWWGID-SANMLTNESA-N 499.449 5.038 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)C1 1781165259 APYSOWWSVPBLHN-IUBQTAPSSA-N 497.463 5.120 30 20 JKED CCOc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1785773892 ICFOMRVONNEFRY-UHFFFAOYSA-N 459.571 5.274 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3Br)cc2)CCC1 1785958621 QWEUXWIPECPYHA-HNNXBMFYSA-N 490.373 5.137 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)CCC1 1786028371 FZLBYFYHTHDWFR-DNQXCXABSA-N 450.554 5.046 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3COc4ccccc4O3)CCC2)cc1 1786102414 NAQCCBSGVWQWBQ-QHCPKHFHSA-N 460.574 5.119 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)c(Cl)c1 1786245700 BAXBZYKVVUOBCR-UHFFFAOYSA-N 471.935 5.785 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@H](c3ccccc3)N(CC)CC)CCC2)cc1 1786679177 LJZOWTXWWUOSKO-VWLOTQADSA-N 465.663 5.123 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CN3CCc4sccc4C3)cc2)CCC1 1786729061 FSVMWWFLRLYNPJ-QHCPKHFHSA-N 463.647 5.009 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cnc4ccoc4c3)CCC2)cc1 1788649565 KTLGKFZAXLPJCK-CMDGGOBGSA-N 471.538 5.076 30 20 JKED Cn1c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)cc2ccccc21 1788886350 XPGFIVRBBXHGAG-UHFFFAOYSA-N 466.516 5.251 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ncsc45)cc3)CCC2)cc1 1789344423 OUAJQRXKTBNDKS-UHFFFAOYSA-N 452.539 5.229 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1789492232 XRCAKQZWDBMIDD-HSZRJFAPSA-N 485.024 5.206 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790089371 UPSAREIUICUBHN-MRXNPFEDSA-N 452.938 5.425 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccccc4)CCC3)cc2)c(C#N)c1 1790475002 UBJRVSREZYJYGO-RRPNLBNLSA-N 479.580 5.047 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(-c5cccnc5)cc4)cc3)CCC2)cc1 1790589232 HURBHWPZYNKNFU-UHFFFAOYSA-N 486.575 5.611 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790592802 XKJIAJOCOXLYMC-UHFFFAOYSA-N 469.585 5.479 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)on4)CCC3)cc2)cc1 1790705322 SMSQRCZSCXHUSS-UHFFFAOYSA-N 476.536 5.469 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)CCC2)cc1 1791243284 JMHKKUDZWPKFFT-FGZHOGPDSA-N 473.617 5.003 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)c(OCC)c3F)CCC2)cc1)C(F)(F)F 1791304850 NNRZQVHBVQGHEH-UHFFFAOYSA-N 486.412 5.369 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C3(C)CCC(NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1791479341 YQJGLHUCVWVHTA-UHFFFAOYSA-N 469.626 5.170 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1)c1ccc(O)cc1 1791646327 MLGJDLOTPVEYOB-OAQYLSRUSA-N 492.579 5.213 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C(F)(F)F)c3)CCC2)cc1 1791730273 WZLVCNWGCVHKAG-UHFFFAOYSA-N 471.523 5.361 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)n4C)CCC3)cc2)c1 1792123451 BXUCGORJBFFHNX-QGZVFWFLSA-N 494.517 5.732 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)c1 1792940657 QWHIEIPDVJWLLN-OOSCYNTBSA-N 499.561 5.388 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1797918656 YWUNFTJPOAULPN-PZXVYJQKSA-N 496.598 5.080 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4sccc4s2)C3)c1Cl 1799302232 AEKVHPMPYGDZFN-QDMKHBRRSA-N 455.992 5.053 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(Cl)c1 1800382208 NTRJADAWSYHENH-MHORFTMASA-N 465.819 5.123 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)cc2Cl)c1 1800413260 BKIIZENWGHGNAT-ACDBMABISA-N 489.925 5.115 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C)c4ccccc34)[C@@H]2c2cccnc2)C1 1802417972 HDDUTYUMJAWISH-PWUYWRBVSA-N 467.613 5.148 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cc(C)cs2)[C@@H]1c1cccnc1 1804528498 ZKLUIELQFWLJCG-QPPBQGQZSA-N 453.652 5.083 30 20 JKED O=C(CCCC(F)(F)F)N1CCCC2(CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)C1 1806547682 VYTWOZDJWLYMES-UHFFFAOYSA-N 482.440 5.422 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812514094 FKMMXZVVOWNGMX-SIKLNZKXSA-N 487.978 5.074 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1813049789 BJXSVYPJXUFXBC-YIXXDRMTSA-N 492.063 5.446 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1813229100 WCDAQQXBXMBDFW-SVEHJYQDSA-N 483.587 5.401 30 20 JKED Cc1cc(C)c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c(C)c1 1813787543 QUXDKSDOMLWDQD-GJZUVCINSA-N 487.003 5.165 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn3cc(Cl)ccc3n2)[nH]n1 1814443028 IJKAETWCRDCDCI-IBGZPJMESA-N 468.989 5.009 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)[nH]n1 1814443159 ONPZMLPEOGFFKS-FDTGPBLFSA-N 464.635 5.282 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)[nH]n2)cc1 1814497555 CFFDRLPTIIZQDA-WBJOIXBTSA-N 473.621 5.123 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938607 AZWUNDGNJIYQRT-HYVJGQCMSA-N 473.017 5.086 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815120119 AXQMTPGOVMUTDT-QFIPXVFZSA-N 452.514 5.028 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)[nH]c2c(Cl)cccc12 1815243309 OEMAYUQNDLYTAQ-UWJYYQICSA-N 474.030 5.113 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1815653264 BSXFVWJZKITTJS-QHCPKHFHSA-N 475.618 5.005 30 20 JKED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[nH]n1 1816748152 XWKBWBBYYJRRIL-NRFANRHFSA-N 487.526 5.696 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2C1 1817356804 ZNEWPVAMIVXMSY-OALUTQOASA-N 476.602 5.101 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(C(C)(C)C)cn2)n[nH]1)c1ccccc1 1818432342 OUXJIDWKAXTVOU-URXFXBBRSA-N 498.631 5.000 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)cc12 1819053122 ZSVABOPZTVDXEJ-RUZDIDTESA-N 480.572 5.010 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[nH]n1 1819305731 YEBVMIUPYWSTGE-LBONOALPSA-N 487.648 5.548 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)[nH]n1 1819306015 UYOJDDVFCSMKOW-RXVVDRJESA-N 495.027 5.348 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1819308229 YHVUYNZIVJTEGY-QPPBQGQZSA-N 487.579 5.685 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2noc(-c3ccccc3)n2)[nH]n1 1819555535 LCJHPTGUYIYVMT-OAQYLSRUSA-N 490.608 5.077 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)n[nH]1 1820296445 QDCJZWOEKNOZLU-GAJHUEQPSA-N 493.011 5.528 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1)C(F)(F)F 1821157768 UNMHDWWIMSWCOF-NRFANRHFSA-N 485.510 5.242 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1)c1ccc(O)cc1 1821459130 JVHMFOKYOMJACI-OFVILXPXSA-N 496.567 5.365 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[nH]n1 1822389783 VGCQTVOCAVNVKJ-XMMPIXPASA-N 480.572 5.062 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1822391770 NIKMWBHEEAPXKW-QFIPXVFZSA-N 463.969 5.029 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4c(s3)CCC4)[nH]n2)c1 1823212745 YYCOFDCSZUDQAY-KKSFZXQISA-N 473.602 5.207 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)ccc2n1 1823215511 TVKDNIUCVLVOIF-QYBDOPJKSA-N 492.583 5.513 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(Cl)c2)n[nH]1 1823245180 SLJREBTZSFBOOU-LJQANCHMSA-N 458.990 5.370 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)cc3F)n[nH]2)c1 1823304217 RLSAOUDGBOHVFS-HXUWFJFHSA-N 486.334 5.347 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)C1 1823702261 YFHMCHOCPLZFAR-VWLOTQADSA-N 471.601 5.627 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823849670 QMOJYYTYUXKMLK-HSZRJFAPSA-N 491.717 5.244 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1824539250 QNKASVYRVGPWHR-WIOPSUGQSA-N 496.758 5.243 30 20 JKED CC(C)n1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(F)(F)C(F)F)CC2)c(C(F)(F)F)c1 1824844861 MSGYSPAITIGARQ-QGZVFWFLSA-N 499.471 5.222 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1824960154 AJYPKTUJOKVYBU-NJTIBFSMSA-N 491.495 5.001 30 20 JKED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)CC2 1825127284 ZUMOSJJTNGYAOA-CZUORRHYSA-N 469.010 5.091 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825422433 IBCVGOWDTXDMJY-VWLOTQADSA-N 465.663 5.143 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c[nH]1 1825438893 IYYXSZDFXHWSFU-HSZRJFAPSA-N 481.040 5.384 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)CC1 1827904204 JVXKJBMXENVAKU-NRFANRHFSA-N 460.684 5.262 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ncccc34)CC2)c1 1828031045 BOSWYJKSJWMUDD-RBTNQOKQSA-N 480.612 5.409 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nccnc3c2)CC1)c1ccccc1 1828279023 PILKWAXBRVZIBX-WNJJXGMVSA-N 494.639 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 1828827899 YXJNEFNJGCPCPD-RPBOFIJWSA-N 461.606 5.343 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1Cl 1829689498 HBWZVQYYARLWCV-QFIPXVFZSA-N 471.935 5.037 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 1829781522 XNUALILMIFZLAL-MHZLTWQESA-N 466.585 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)CC1 1829822331 YBTOZACQQDCPRV-LADGPHEKSA-N 454.659 5.028 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1)C(F)(F)F 1829903316 CKQBLYJQCKDFBG-KRWDZBQOSA-N 463.327 5.345 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1830014850 KQNBAVBMACORON-QHCPKHFHSA-N 475.589 5.459 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1830015158 KVTFNUSNJXZAAA-QHCPKHFHSA-N 469.507 5.124 30 20 JKED CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830630159 KEXYHHBFVICLFF-KAYWLYCHSA-N 457.618 5.180 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)nc1C 1830755482 ZEBWNWZDCXLEFE-XMMPIXPASA-N 498.549 5.136 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)c1 1830768021 WRLVGHDUHZTJST-RUZDIDTESA-N 497.561 5.362 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830770494 YUEXXMUHQWVIMW-MHZLTWQESA-N 455.602 5.291 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)cc2s1 1830890392 ZZFBRDMNBBYXTC-JOCHJYFZSA-N 495.048 5.610 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831749888 HJZBHAFZFNXFAD-QHCPKHFHSA-N 475.460 5.448 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccc(Br)cc3n2)CC1 1831849786 GSCISBWNZYSNNC-DEOSSOPVSA-N 496.449 5.034 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1)c1ccc(O)cc1 1831924925 ZPSQHBPLORWMMK-LSYYVWMOSA-N 497.639 5.304 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831925917 LECFSBCOXNVLST-HCOGHBJCSA-N 490.688 5.335 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1832029819 RGDZLXBURVQUIC-RUZDIDTESA-N 487.669 5.876 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)cc1C#N 1832704807 VMFWPXWIQDJBCB-OZNIXHKMSA-N 499.655 5.382 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)CC1 1835815933 JPCWTAAXXXJZRP-ZSQFBXSQSA-N 471.730 5.157 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1838756913 CDHHDFXFMHHHJE-UHFFFAOYSA-N 482.571 5.177 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2sc4ccccc4c2Cl)C3)c(Cl)c1 1845488040 RDDNCJSYHXZBQH-UHFFFAOYSA-N 470.381 5.211 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CC2(CCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)C1 1846986179 VOYZBGYHSNBSHR-HDJSIYSDSA-N 480.424 5.030 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 9414696 BQXYIZBNQIIFQJ-UHFFFAOYSA-N 492.988 5.212 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccccc2CC)c1C 11164331 FOLQKXMJFFGMLX-UHFFFAOYSA-O 478.638 5.326 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccccc2NC(=O)c2ccsc2)ccc1Cl 11711671 DJOGRCHLSDOPMY-UHFFFAOYSA-N 481.961 5.066 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc2c(c1)CCCC2 14871843 XDSNTHPYBKRTHP-UHFFFAOYSA-O 460.579 5.374 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OC(F)F)cc2)c1 15993352 ZFRGQJDYSWGAAE-UHFFFAOYSA-N 492.931 5.575 30 20 JKED C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1[C@@H]1COc2ccccc2O1 16621474 UWBISLWOGLKUFB-IBGZPJMESA-N 462.358 5.258 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 20788648 LDLUCTQZBVLKQX-UHFFFAOYSA-N 486.622 5.350 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2C)c1 20866652 IIWXVFQXWRRUPT-UHFFFAOYSA-N 494.667 5.379 30 20 JKED C=CCN(C(=O)C[C@@H](NC(C)=O)c1cccs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 21467784 MSMTXJJFRHDTIA-QGZVFWFLSA-N 480.442 5.965 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 21729938 UWNQBXAUUHWAQO-LJQANCHMSA-N 461.635 5.690 30 20 JKED C=CCn1c(SCC(=O)c2cccn2C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 23423718 AIMUYQMKPGGEMT-UHFFFAOYSA-N 453.564 5.072 30 20 JKED C=CCn1c(SCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)nnc1-c1ccc(Cl)cc1 23553287 BTCSTSXGXKAPLL-UHFFFAOYSA-N 499.980 5.153 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1[C@@H]1COc2ccccc2O1 25766834 HRYKZXQFIRABBH-FQEVSTJZSA-N 450.495 5.063 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1 29151575 ANLFXDFMVNAQQO-UHFFFAOYSA-N 471.941 5.333 30 20 JKED Cc1ccccc1-c1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c2cnn(C(C)C)c2n1 71943102 UAOLKIRGRXFKHE-UHFFFAOYSA-N 491.517 6.064 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3c(C#N)cnn3-c3ccccc3)nnc2-c2ccccc2)cc1 72033961 BOXRYWAOTONAHN-UHFFFAOYSA-N 491.580 5.031 30 20 JKED CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccccc1-c1ccccc1C#N 104876643 URNJTYRPZPAXKF-UHFFFAOYSA-N 451.448 5.133 30 20 JKED COCCOc1ccc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 107735405 UXAKYGROHRMLRN-GOSISDBHSA-N 462.571 5.234 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC1 195716640 OOMFQXPINXXQGA-JOCHJYFZSA-N 473.623 5.809 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(COc2ccccc2C#N)o1 302959401 LVORGNSHMHJVNS-UHFFFAOYSA-N 476.920 5.486 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C)n2CCc2cccs2)n(-c2cccc(F)c2)c1C 303163187 HZEIYAHVMSNQOJ-UHFFFAOYSA-N 494.621 5.040 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)cc2)cc1 409881541 DKQOJWHYNOQBPP-UHFFFAOYSA-N 483.837 5.856 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)c4ccoc4)cc3C(F)(F)F)c2)cc1 482995226 PFYDNKPKTWUSDL-UHFFFAOYSA-N 491.425 6.467 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3c4c(nc5ccccc35)/C(=C\c3cccs3)CCC4)CC2)nc1 490773696 MGYRFGDSRYOHLO-FXBPSFAMSA-N 491.620 5.402 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3ncc[nH]3)cc2)nnc1-c1ccc(Cl)cc1Cl 502545857 KJIUHTSNVXHWDL-UHFFFAOYSA-N 485.400 5.559 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 505619569 DKVPPAVHPADDHY-UHFFFAOYSA-N 483.524 5.724 30 20 JKED CC[C@@H](C)n1c(Sc2cccc(F)c2C#N)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 506865646 CNFDYUJNIVBYIR-MRXNPFEDSA-N 487.626 5.109 30 20 JKED CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 510192648 NPMVCYFDZBEPFN-UHFFFAOYSA-N 473.548 5.290 30 20 JKED COc1ccc([C@H](NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C(C)C)cc1 510247486 YFFRUFWJQHRAIE-LJQANCHMSA-N 453.593 5.229 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 510907091 RZSZYLDNMNMOGX-UHFFFAOYSA-N 456.933 6.384 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)c2)cc1 512200202 WTQPXDHVYHTWGD-UHFFFAOYSA-N 460.961 5.672 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2cccs2)cc1 512581297 GAAYZIHMAVLOEH-WGDIFIGCSA-N 471.630 5.631 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)c2)cc1 515577190 MZVGUPNPYXXJKQ-UHFFFAOYSA-N 468.340 5.007 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1Cl 515945718 YUNFESFOLJPANX-DEOSSOPVSA-N 494.982 5.731 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)ccc2c1 516293467 GWMRHDZHGQWYKT-UHFFFAOYSA-N 465.509 5.109 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 517461993 XUZWCNFIZONIII-AUUYWEPGSA-N 462.402 5.488 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 517473617 GCVLNOQTMOODIX-UUOWRZLLSA-N 463.578 6.192 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)CC1 517755721 WNJAFZGKFBSOBU-OAQYLSRUSA-N 493.976 5.142 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 518165683 PMJJZPWMZZQYPX-UHFFFAOYSA-N 461.587 5.222 30 20 JKED C=CCN(C(=O)CSc1nnc(N(C)C)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 518170099 JWQZJIMRBMZHTP-UHFFFAOYSA-N 486.475 5.346 30 20 JKED N#Cc1c(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)sc2c1CCCCCC2 521708770 MPYREMAQIPHAOY-UHFFFAOYSA-N 495.464 5.234 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c(C)c2)n1 522249358 ROYKTEIFDAIQKL-UHFFFAOYSA-N 463.632 5.133 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 523332293 YAHAEHODUIOPCK-UHFFFAOYSA-N 474.524 5.269 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccccc1)Cc1ccccc1F 589242087 PJFBZLJUHNWCJE-QZTJIDSGSA-N 476.436 6.447 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C2CC2)c1 590720532 YKZDWJULJDSAAY-QFIPXVFZSA-N 478.536 5.101 30 20 JKED Cc1sc(NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)c(C#N)c1C 603444588 DQWHVYQIJKONLP-UHFFFAOYSA-N 473.476 5.525 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603961569 DFZNGVHOCHSZOC-UHFFFAOYSA-N 488.956 6.274 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1 604003919 MFCRZXSWQMOIED-UHFFFAOYSA-N 459.596 6.006 30 20 JKED Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N[C@@H](C#N)CC(C)C)n1C1CCCCC1 608822215 BKMFZLKHZBZVLS-LJQANCHMSA-N 490.073 5.471 30 20 JKED Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c(C)o1 608994370 LBYNTWBYDNXQID-DEOSSOPVSA-N 490.991 5.632 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(N4CCc5sccc5C4)nc3)o2)cc1 609056453 SSEZUKGYSTYDOD-UHFFFAOYSA-N 456.527 5.002 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 609077558 DMGKAZCUGOHTJT-UHFFFAOYSA-N 468.340 5.121 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 609088654 BOUHXGDZODZBJO-QPPBQGQZSA-N 493.485 5.075 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 609401560 WPWVQANGDPVHJU-HXUWFJFHSA-N 455.992 5.252 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)cc2)c1 609434463 MGTVIPFPBZQHNX-FQEVSTJZSA-N 483.503 5.951 30 20 JKED O=C(Nc1cccc(C(=O)Nc2cccc(F)c2)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 613143567 RYFMUNAONXRGDA-KBPBESRZSA-N 491.407 6.109 30 20 JKED CC(C)NC(=O)Nc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613345850 AAVJNGNDNFOOCF-INIZCTEOSA-N 473.385 6.137 30 20 JKED O=C(Nc1ccc(OC(F)F)c(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 614727435 CJUGNUCUFVXGQL-UHFFFAOYSA-N 483.290 5.903 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 616992684 PBZZNKMNXQLHTO-UHFFFAOYSA-N 493.361 5.261 30 20 JKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 618547162 HRWUIRSTCFEBGN-XHNCKOQMSA-N 455.201 5.966 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1nc(-c2ccccc2)cs1 648050924 MYAQZOWTGGAPFL-UHFFFAOYSA-N 465.582 6.075 30 20 JKED C=CCn1c(S[C@H](CC)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Br)cc1 684191144 BJHIESYFGGMORS-LJQANCHMSA-N 487.423 5.412 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 726403120 YNECPCDKGBAJID-AUUYWEPGSA-N 480.417 5.379 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C#N)c(Cl)c1 726406463 KLBMGMZWPZCKFU-INIZCTEOSA-N 481.792 5.499 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@@H](C)c1cccs1 726420896 JTQKPEZNOHLRBA-CITQPITHSA-N 469.554 5.567 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cc1NC(C)=O 726429391 SZOPTPLICNITTK-STISFXCESA-N 461.358 5.422 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C(C)(C)C)cc2)cc1 726570738 JOLXBKLKCYUUHB-UHFFFAOYSA-O 491.080 7.072 30 20 JKED COc1cc2c(cc1NC(=O)COC(=O)c1occc1COc1cccc(C#N)c1)oc1ccccc12 726691219 ARHZYUYCEZXUAE-UHFFFAOYSA-N 496.475 5.434 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 728127612 ZMHQNDGORHFBTR-QZTJIDSGSA-N 472.511 5.411 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3scnc3C)C2=O)cc1 729144621 WBXABGWWTOATKH-HXUWFJFHSA-N 464.616 5.229 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)c1OC 729429968 PQIDXLIFRYDTQO-HXUWFJFHSA-N 463.603 5.578 30 20 JKED N#CCn1c(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc2ccccc21 729769827 WBUQXYVCCDKQAS-HSZRJFAPSA-N 488.887 5.263 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1cccc3ccccc13)O[C@H](C)C2 730688348 VBKILRVRQYJHQI-AAEGSUEWSA-N 454.526 5.013 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730713725 PXKXDYXDFGJDCI-NRFANRHFSA-N 482.993 5.414 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730714884 HOITZSAVRVXQRN-GOSISDBHSA-N 475.357 5.142 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cccc(F)c2)C1=O)Nc1cccc(O)c1 731308389 ZVVAHBPHXKEIGK-OAQYLSRUSA-N 483.952 5.345 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 731311959 JGSFPPBSMXXZNR-GAJHUEQPSA-N 489.622 5.465 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@H](C)c2cccs2)c1 731312961 UTGZEECRWHKWMK-NYEXXQPOSA-N 495.626 5.052 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 731316501 ZJNXJYRAIBHAGO-YCRPNKLZSA-N 497.646 5.008 30 20 JKED CCOc1ccc(N2C(=O)/C(=C/Nc3ccccc3S[C@@H](C)CC#N)c3ccccc3C2=O)cc1 731339248 RLMUYWHYGXGKQN-YJZSVRAESA-N 483.593 6.120 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Br)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 732781263 XIGDMNWVTSSUTA-HXUWFJFHSA-N 495.402 5.005 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 748584895 VUYXOZDVYZSEHQ-VAWYXSNFSA-N 466.335 5.104 30 20 JKED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(N2CCOC2=O)cc1 748585293 YJNCNOLREBPKAT-TWGQIWQCSA-N 483.274 5.470 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN3C(=O)c3ccc(Br)cc3)n2)cc1 750396374 WRGIWODYHBNWBZ-CTNGQTDRSA-N 494.414 5.362 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1nc(-c2ccccc2)cs1 809237345 UNVHVIAWMAIQMG-JOCHJYFZSA-N 493.617 6.026 30 20 JKED C=CCOc1ccccc1CN(C(=O)CCc1c(C)nc(SC)nc1O)c1ccc(C)c(C)c1 822225854 SUAFYVRBUQISPN-UHFFFAOYSA-N 477.630 5.560 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 837399171 SJCXEZDUVJRTTM-HYBUGGRVSA-N 472.614 5.728 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 837743554 DCDOKPAPRWSQGV-QVKFZJNVSA-N 466.513 5.081 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 838277473 NLKCKNBPFHBSMT-MBSDFSHPSA-N 458.587 5.366 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)c1 838281102 TVEMSSYEDAHGIB-XMMPIXPASA-N 496.652 5.221 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1OC 838525862 KMSMQMKCYSPXDB-SFHVURJKSA-N 477.558 5.156 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2F)cc1 838543353 BRSYUHANZJPWLL-JOCHJYFZSA-N 499.514 5.273 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 838543619 WUBPEUVKIGAOEN-BTYIYWSLSA-N 466.513 5.081 30 20 JKED COc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OCc1ccccc1 875061353 BDBDYOOIIXESLZ-UHFFFAOYSA-N 455.539 5.445 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 914545629 FQVWWOPHVSDDGG-HYBUGGRVSA-N 472.614 5.098 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 914547709 ZJVGOSPZZVJULO-YKSBVNFPSA-N 472.614 5.098 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@@H](C)C2CC2)ccc1Cl 914687750 BSLPUZZFEKXHLV-KRWDZBQOSA-N 459.011 5.124 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3cccc(NC(=O)c4ccccc4Cl)c3)cc2c1C 914773325 FSNFRJCWFQPGKW-KHPPLWFESA-N 490.968 6.193 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915088006 YOLSNLBIDOTDIV-JIPXPUAJSA-N 487.625 5.466 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 915179988 KAGQBMQDAMXXAF-DEOSSOPVSA-N 479.001 5.721 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCCc2nc(-c3cccs3)no2)n(C2CCCCC2)c1C 915496260 UNMLGBGBQZDNTI-UHFFFAOYSA-N 495.605 5.098 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCCC2)cc1 915784780 TWOXMLWCBKNIRK-RRPNLBNLSA-N 451.570 5.718 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1Cl 915893728 AJIPKUQPOQORLU-SFHVURJKSA-N 454.864 5.034 30 20 JKED CCOc1cc(/C=C2/CN(C)C/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O 916135402 XXDKFHQFTHGKFE-JTSIYALXSA-N 478.372 5.184 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)SC2=Nc2ccccc2)c1 916204858 JFFQCAHOEGLQCG-DEOSSOPVSA-N 487.581 5.058 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CC3)C2=O)c1 916209878 UCLSANOLCSKGGN-IBGZPJMESA-N 459.518 5.028 30 20 JKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1Br 916272547 AZTNFSPNWNZOIS-UHFFFAOYSA-N 488.794 5.740 30 20 JKED CCCOc1c(Cl)cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 916541050 FTQJZOWJXIJPPI-UHFFFAOYSA-N 467.978 5.766 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(COc2ccc(F)cc2)n1 916887080 KYFFQMSNGBNXAS-INIZCTEOSA-N 477.489 5.137 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 916929094 BGVRMGSRMUKKPS-OAHLLOKOSA-N 464.934 5.019 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1C 917043678 MGWNIYRDVZHOJZ-INIZCTEOSA-N 453.980 5.116 30 20 JKED Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3Oc3ncccc3C#N)c3ccccc3C2=O)cc1 917600818 AXUKYSZLSWAWDS-MOHJPFBDSA-N 472.504 5.694 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 917669520 RSPJOQAMHHXGKJ-ANJBIJILSA-N 499.614 6.461 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 917707754 AIKJEBKFZQIYEH-CJFMBICVSA-N 486.641 5.604 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)cc12 919666743 MTCUEOCKTDHZLY-MRXNPFEDSA-N 483.380 5.723 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)c1 920109880 UZCQMYDHSXIXJJ-LJQANCHMSA-N 467.294 5.650 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)cc1 920110008 JDNUVGRFHUTWMY-GOSISDBHSA-N 452.461 5.813 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cc(C)on1 920356994 SFQHRMKOBAWTSR-OAQYLSRUSA-N 498.992 5.114 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1Cl 921132294 PIGCAWTVCSLFEK-NSHDSACASA-N 466.371 5.457 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(C)cs3)n2-c2ccc(Cl)cc2)c1 921250117 PCQFMOFINZUEHC-IBGZPJMESA-N 480.018 5.630 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)Cc4[nH]nc5c(Cl)cccc45)CCC3)cc2)cc1 1785882703 BDIOBAWUJZTFKK-UHFFFAOYSA-N 497.986 5.007 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cn1 1786838760 LAXVXXWREQHYGN-UHFFFAOYSA-N 472.976 5.296 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1 1787615114 SZVROVSYFMUZAU-QFIPXVFZSA-N 469.626 5.170 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCC2)cc1 1789515126 SVQUORLNWDXQQP-OKCVXOCRSA-N 490.501 5.064 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)c1Cl 1790083886 PFHPLPFVFMCVOZ-UHFFFAOYSA-N 498.892 5.687 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C(C)(C)NC(=O)c4ccc(Cl)s4)cc3)CCC2)C1 1790383237 RKPLXEKZOUHVGT-UHFFFAOYSA-N 486.037 5.010 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CC3)CCC2)cc1 1790512811 JGVCORSREQKRCA-UHFFFAOYSA-N 480.992 5.015 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1791501652 DVROZRGYVDPDTH-QHCPKHFHSA-N 496.652 5.288 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)cc2)CCC1 1791542572 JOQIKIQOAPKWEK-UHFFFAOYSA-N 455.480 5.175 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CC(C)(C)C3)cc2)CCC1 1791652703 LNSRWBLTTHYKJW-WHLCRQNOSA-N 481.637 5.026 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791730244 URTLYEORMGXMIJ-URXFXBBRSA-N 495.664 5.398 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nnsc4C4CC4)CCC3)cc2)c1 1792123545 HWCFBNKEZCJKDO-MRXNPFEDSA-N 471.586 5.104 30 20 JKED CC(C)C[C@H](C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1)N(C)C(=O)OC(C)(C)C 1792234415 SMVDSEMEPSOTAC-JOCHJYFZSA-N 496.652 5.096 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)c4ccccc4)cc3)CCC2)c1 1792312025 HPBOHAGQPYNFPU-IBGZPJMESA-N 453.542 5.118 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]n1 1794800294 ZPVLTSVLCVADBW-BCDXTJNWSA-N 488.554 5.340 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c3ccccc3c1)C2 1798334037 TUVKJGQUKWKKSR-CIAFKFPVSA-N 481.434 5.623 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCC3CC3)cc1F)C2)c1ccccc1 1798556931 OITNZQCZLRBFHU-OUJSJNLKSA-N 488.603 5.064 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC4(CCCN(C(=O)CCc5ccc(C#N)cc5)C4)CC3)c[nH]c2c1 1804762874 FRDUBGIHHNRENE-FMIVXFBMSA-N 494.639 5.225 30 20 JKED Cc1c(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(C#N)cc4)C3)CC2)[nH]c2c(Cl)cccc12 1804943871 XGVVEPDNFCSZHQ-UHFFFAOYSA-N 489.019 5.089 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3scnc3C3CC3)C2)CC1)c1ccccc1 1807834879 YZSDCNRYNUKVDY-HSZRJFAPSA-N 475.658 5.063 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2cccs2)[C@H]1c1cccnc1)c1ccccc1 1810447678 NMSDRRFCZVMLND-DJESZUOASA-N 485.653 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3cc(C)[nH]c23)[C@H]1c1cccnc1 1810500256 NVJOQGFBDSVDNQ-DHLKQENFSA-N 458.606 5.183 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811418499 WXCINUPBYPBFPX-ZLXOTSJASA-N 491.016 5.091 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c1Cl 1811420081 LAYBPQJPJAFDAU-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811429260 KYRDGBPUPGNINV-YKSBVNFPSA-N 480.008 5.793 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@@H]2c2cccnc2)CC1 1811945001 TZMDYJGYFCZKJT-LGTAVNIZSA-N 472.633 5.188 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812673330 RPDNPXMKSZRKIW-IFXJQAMLSA-N 486.321 5.059 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[C@H]2c2cccnc2)C1 1812956121 KUMWKRSFNBBVOB-FDDCHVKYSA-N 484.427 5.092 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)[nH]n1 1814828649 CFGGCTSSGIEKPZ-GOSISDBHSA-N 464.488 5.404 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@H](C)CC)[nH]n1 1815204818 JJDUXQDEFDWSCS-SEIBCYHCSA-N 466.626 5.215 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1815208137 ZIZKYJFULQUAOP-LJQANCHMSA-N 470.570 5.052 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccnc3s2)n[nH]1 1818571399 XEYXYBWEZDGMPM-GOSISDBHSA-N 451.596 5.318 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)n[nH]1 1818598312 DTBUGBHHGUVFIC-AOMKIAJQSA-N 467.520 5.244 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)n[nH]1 1818598315 DTBUGBHHGUVFIC-ZHRRBRCNSA-N 467.520 5.244 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)[nH]n1 1819554611 KTNSDZHOXFGFMT-QHCPKHFHSA-N 459.594 5.565 30 20 JKED C[C@]1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CC=CCC1 1821242684 MZIOYZNVAWQUQO-YKSBVNFPSA-N 496.409 5.096 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274598 ISZUGIVOWYKWAS-GOSISDBHSA-N 483.981 5.015 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1822579943 MXZVISSCVZNGHP-DEOSSOPVSA-N 469.589 5.280 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1823670841 GWZKRJXXKIPKEL-QHCPKHFHSA-N 499.442 5.126 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 1823751463 VEVAWVDKLOWULC-UIOOFZCWSA-N 466.666 5.303 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc3c2CCCO3)CC1 1823752816 OJVPKCPTMMVULU-QFIPXVFZSA-N 458.668 5.299 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 1823753481 QRKAJYUXODWHCM-VWLOTQADSA-N 462.638 5.098 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824510718 TXQJPYUPSPHTHY-CPJSRVTESA-N 474.601 5.410 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1824539304 RIKYGINYIWFCFN-WOJBJXKFSA-N 457.467 5.181 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C/c2cc4ccccc4o2)CC3)c1 1827696429 BHHSALYLNRVHKF-GKPCGMKMSA-N 496.592 5.456 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828467749 OVPRXKMXHYJRIS-SFHVURJKSA-N 494.451 5.420 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)F)no2)CC1)c1ccccc1 1829032865 OCMHOICWAYWQRV-GMAHTHKFSA-N 483.559 5.043 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cn2)CC1)c1ccccc1 1829223071 LZQJNMKPQCMHAR-RSXGOPAZSA-N 478.036 5.166 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830049821 PVUJVNRDBXVRTB-VWLOTQADSA-N 497.561 5.443 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCC2)CC1 1830356556 CKTVTPQXRNDSAE-GOTSBHOMSA-N 489.701 5.046 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536251 MYRFUAPZMMBOSU-KRWDZBQOSA-N 482.440 5.420 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-n4cccn4)cc3)CC2)c1 1830593475 DWJVDZGGKBYJIU-DWACAAAGSA-N 495.627 5.046 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1831849531 ZZYQRHBRGJNNFM-MHZLTWQESA-N 457.618 5.094 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2C)CC1 1831851928 GFMMISRKDBHIJL-QHCPKHFHSA-N 498.465 5.276 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)CC2)c1 1832902295 WKQWDAAIFMGOJV-LOYIFYEOSA-N 457.618 5.351 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832960214 CTPXEMWCZGNUQS-GVODCENMSA-N 465.663 5.028 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1832984476 ZKXUXSVOXHKYIJ-KULFAVDPSA-N 498.614 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)CC1 1836609187 IDSIIXLMFYKFKJ-UHFFFAOYSA-N 479.036 5.013 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)CCc3ccc(C)c4ccccc34)CC2)CC1 1838799796 NGIXMRJHRHLGIT-UHFFFAOYSA-N 488.672 5.273 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Br)cc(Cl)c3[nH]1)C2 1841319845 NKQJOBQTYHJYQD-UHFFFAOYSA-N 490.829 5.169 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)nnc12 3365200 QFIDWMJXZRZTAR-GOSISDBHSA-N 481.581 5.017 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2cc(Cl)ccc2c1=O 9085382 JYKRALOJFJZOJE-NSHDSACASA-N 468.793 5.662 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)nc2sc3c(c2c1=O)CCCCC3 9194589 CXOKEFDIIOQBTC-HNNXBMFYSA-N 499.658 5.049 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Br)c2)cc1 11085122 MTKHMHBAKVGTIG-UHFFFAOYSA-O 495.466 5.342 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(CC)cc2)c1C 11164237 CISZZDUZVLAFJN-UHFFFAOYSA-O 478.638 5.326 30 20 JKED COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[nH]1 16654643 SHJPMTXUOUYOFM-UHFFFAOYSA-N 499.040 5.660 30 20 JKED C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 16766169 XBRUAFLTRAEEBU-MRVPVSSYSA-N 487.796 5.010 30 20 JKED C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nnc1-c1ccc(F)cc1 21338208 DLQZMIZGRSGTKD-UHFFFAOYSA-N 474.521 5.576 30 20 JKED C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(C#N)cc1 26111853 FBHPJOVAPBAUNW-AWEZNQCLSA-N 474.369 5.157 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)Cc2ccco2)nnc1-c1ccc(Cl)cc1Cl 27494330 CUISXZYCLXUIEE-UHFFFAOYSA-N 476.389 5.065 30 20 JKED CCOC(=O)CSc1nnc(/N=C(\O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)s1 31907741 LFKUCXDBZDXUIQ-UHFFFAOYSA-N 490.588 5.197 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(OC)cc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 33497131 GIXGMDZAIJGHJH-WMZJFQQLSA-N 491.496 5.344 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)s2)cc1 71794956 YCUDMYUQCGLRDW-UHFFFAOYSA-N 452.561 5.822 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl 72022878 LQRUPBLALGXAGH-UHFFFAOYSA-N 461.949 5.525 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)CC1 108325995 SKGZLWHCMAYSBF-UHFFFAOYSA-N 494.523 5.596 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccccc1F 215715863 GLWUYZTZYHHYPZ-CYBMUJFWSA-N 452.471 5.082 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nc2ccccc21 303182100 XLHIETXWGMWPDK-DEOSSOPVSA-N 451.530 6.089 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 303236100 ZLSAQIPNULSSKB-HXUWFJFHSA-N 459.933 5.091 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 303262614 FNALWZZMIZZOQN-MRXNPFEDSA-N 460.584 6.019 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1ccccc1)c1ccccn1 409471845 PYEVZWCIZNGPIG-QFIPXVFZSA-N 454.343 5.470 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 409864123 KCXDEBUVDWUJLN-UHFFFAOYSA-N 464.403 5.980 30 20 JKED COc1ccccc1N1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 481742184 NEWZXEISFOYKPH-UHFFFAOYSA-N 474.536 5.075 30 20 JKED CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 486740198 HRDDNLVIHIXLSZ-UHFFFAOYSA-N 450.542 5.456 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)o1 498518875 YGCQRISLOSBWRV-UHFFFAOYSA-N 458.518 5.390 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCNC(=O)c1ccc2ccccc2c1 501159559 JBGCNDIVTRHTRH-UHFFFAOYSA-N 465.528 5.512 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3(c4ccc(Br)cc4)CC3)c2)c1 503282753 JTBWYJFZDAHJEA-UHFFFAOYSA-N 475.346 5.384 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 504712676 RNQDZFOCDSIXRK-QGZVFWFLSA-N 464.591 5.401 30 20 JKED COc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 504830827 JKLSFVCEGLPPTM-UHFFFAOYSA-N 490.950 5.682 30 20 JKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1cccc(N2CCCC2)c1 505476451 LKAPGWMLHOYODY-IBGZPJMESA-N 470.598 5.067 30 20 JKED C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1Oc1ccccc1 506153622 PNFXCIUTBLVMHA-IBGZPJMESA-N 482.540 5.692 30 20 JKED CCCCCNC(=O)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510044999 NFFFAZANWHWMAT-HSZRJFAPSA-N 467.013 5.546 30 20 JKED CC[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1OC(F)F 510232021 QXVLDXXWEPIDHZ-MRXNPFEDSA-N 475.546 5.576 30 20 JKED Cc1noc(C)c1COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 513274111 PLMRQXMIANJPOF-QGZVFWFLSA-N 465.481 5.762 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nnc1-c1ccccc1F 514358599 SONHTNHENCSEKK-HNNXBMFYSA-N 489.414 5.172 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 518653909 ODSVIFICDHMLIM-IAGOWNOFSA-N 499.687 5.311 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)O[C@@H](C)C2 519384305 MZCFQWZEFMLXRT-KKCLFWLVSA-N 497.595 5.731 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 519880345 QYGXOFXKQFPRBQ-IBGZPJMESA-N 458.518 5.306 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1OC(F)F 520008818 SHHVWMYKRYKUMS-NRFANRHFSA-N 465.456 5.158 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 520193467 RFBJIRFOOASQSI-MBSDFSHPSA-N 478.017 5.773 30 20 JKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C(F)(F)F 520428951 CCETVHUKHYRARV-CYBMUJFWSA-N 488.441 6.091 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 520636684 SCTSMMICESKNIZ-UHFFFAOYSA-N 459.315 5.292 30 20 JKED CCc1ccc([C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C(C)C)cc1 520848127 IGKBUNUJGBSURE-OAQYLSRUSA-N 477.552 5.726 30 20 JKED C=CCN(C(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C)c1nc(-c2ccccc2)cs1 520879349 ZZSFRZVPOXIGPG-UHFFFAOYSA-N 453.930 5.325 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 521725960 GQGWWIYGAIBVNF-HXUWFJFHSA-N 485.675 5.074 30 20 JKED C=CCN(C(=O)Nc1ccccc1N(C)Cc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 521808756 LUHRBHPGEDDBNS-OAQYLSRUSA-N 467.577 5.080 30 20 JKED COc1cccc(/C=C(\CC(=O)Nc2cc(C)nn2CCC#N)c2nc3ccccc3s2)c1 523317842 QCWNXPBAMSSRNL-XMHGGMMESA-N 457.559 5.293 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(NC(=O)Nc2ccccc2)cc1 524130590 FYNLAPBZSCTMNR-LJQANCHMSA-N 480.524 5.865 30 20 JKED CCOc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CN(C)CC#N)c3C#N)C(C)(C)C2)cc1 551015947 ZEGYGQXCYCENOC-SREVYHEPSA-N 460.603 5.190 30 20 JKED COc1ccccc1CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 553063157 CGZPRVSMYKUHQZ-UHFFFAOYSA-N 451.617 5.210 30 20 JKED C=CCN(C(=O)CSc1nncn1C(C)(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 589849385 XUZTVSMUYATCCZ-UHFFFAOYSA-N 482.462 5.775 30 20 JKED CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 603470571 SIGBBKKVVONHNA-UHFFFAOYSA-N 481.524 5.163 30 20 JKED CCN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 603530517 XLLXRQNKSZTPPZ-KBMIEXCESA-N 459.977 5.683 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 603601116 POZFTPPUMMWONR-UHFFFAOYSA-N 477.446 5.819 30 20 JKED N#Cc1c(NC(=O)CCNC(=O)c2ccc3ccccc3c2)sc2c1-c1ccccc1CC2 603992664 SWEUUKIUUOVMMI-UHFFFAOYSA-N 451.551 5.297 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 604321099 UMIOSFZDALVCFR-UHFFFAOYSA-N 482.367 5.497 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c(OC)c1 604461345 FSTVPLLOOGWBCW-UHFFFAOYSA-N 487.556 5.788 30 20 JKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087351 JQWJCBRARWHNSR-MRXNPFEDSA-N 482.367 5.602 30 20 JKED CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609148304 YJFDCVVTJVYEIW-UHFFFAOYSA-N 477.609 5.410 30 20 JKED O=C(NCc1cc(F)cc(Br)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615871014 VZDWLNLGAFRMLC-NXEZZACHSA-N 465.207 5.297 30 20 JKED O=C(Nc1ccccc1Oc1cccc(F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616522197 JPGAOWMYPXKXNO-NHAGDIPZSA-N 492.391 5.582 30 20 JKED O=C(NCC1(c2ccc(F)cc2)CCOCC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619374202 KSFZMPACNFJTBY-HUUCEWRRSA-N 470.429 5.083 30 20 JKED O=C(c1ccc(C(F)F)cc1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517798 PAOQOYORHNECFY-MRXNPFEDSA-N 453.329 5.876 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642158233 SFPPACUYANQRJE-URLYPYJESA-N 472.788 6.082 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 726319868 OIWYNVMEKLKBJD-NRFANRHFSA-N 484.581 5.819 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 726322509 WVDJSRFMMMAEHR-OXQOHEQNSA-N 456.502 5.276 30 20 JKED N#Cc1cnc2ccccc2c1OCCOC(=O)CCc1ncc(-c2ccccc2Br)o1 726364762 RABIOEOTUKZULE-UHFFFAOYSA-N 492.329 5.079 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC[C@H](C)OC 726391970 DIGAQIMRORTQQU-UUOWRZLLSA-N 491.613 5.234 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1c(C)cccc1C 726393918 RUDHDZLGXXGOOR-IRLDBZIGSA-N 467.635 5.306 30 20 JKED N#Cc1ccc(NC(=S)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1Cl 726451012 TZKVJQVAPPQANN-UHFFFAOYSA-N 452.933 5.135 30 20 JKED N#Cc1ccc(NC(=S)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1Cl 726474676 XYZXOARCFYMPED-UHFFFAOYSA-N 452.933 5.181 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)s1 726570469 ACELMXALSUGIRQ-UHFFFAOYSA-O 481.066 6.380 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(OC(C)C)cc2)[n+]2ccccc2)N=C1C 726574795 RMHTUYVFLNSLJZ-UHFFFAOYSA-O 450.584 5.079 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccc(O)cc3)n2)n(C2CCCCC2)c1C 726644952 AMIYJMXPAYLGKA-UHFFFAOYSA-N 478.574 5.106 30 20 JKED O=C1/C(=C\C2=Cc3ccccc3OC2)CN(Cc2ccccn2)C/C1=C\C1=Cc2ccccc2OC1 726744286 ZQIBWFDEFDIMEM-KXRVLRRCSA-N 474.560 5.271 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C/c1cccc(OC2CCCC2)c1 727953854 PVZKFZCMTPRMBY-CTDFXDFQSA-N 452.938 5.339 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 727997057 SCBRAQOTBOTGLV-MHZLTWQESA-N 451.526 5.348 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 728238789 JXRQPBRMWIPYKO-HSZRJFAPSA-N 463.459 5.740 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3scnc3C)C2=O)cc1 729144755 FCOXZWYCWUHGKA-PCDATPIKSA-N 484.672 5.411 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)cc1 729726278 FEIORKSBILDVFW-UHFFFAOYSA-N 467.308 5.086 30 20 JKED O=C(C[C@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730461547 FOVNLKGMPKQPSB-GFNNVWICSA-N 479.499 5.226 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)cc1F 730532559 OXCPJMCMXOIBAH-OAQYLSRUSA-N 482.968 5.343 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 731063354 LIOSHRJYNGPZFW-KRWDZBQOSA-N 479.627 5.403 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl 744739210 MYVRUKURHLIWDM-UHFFFAOYSA-N 461.353 5.364 30 20 JKED COc1cc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OCC(F)(F)F 745625532 BLKKQKQQFSRJQS-KTKRTIGZSA-N 475.423 5.243 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2cc3ccccc3[nH]2)C1=O 746696274 LRUKKDCMBHRAHI-RUZDIDTESA-N 498.608 5.645 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cc([N+](=O)[O-])ccc2C)cs1 747060575 YOJGBFNIQMBUIX-UHFFFAOYSA-N 463.441 5.509 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1oc2ccccc2c1CSc1ncccn1 748604766 MYDUXNBUDMNTGJ-UHFFFAOYSA-N 476.583 5.400 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 749046939 CGVJCAHWWMQDRE-HNAYVOBHSA-N 461.953 5.273 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc(OCC(F)(F)F)c(OC)c3)cc2c1C 750907304 WAZOFHWGGNYVTD-XQRVVYSFSA-N 465.449 5.237 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC(F)F)cc1 799219181 OQEMDBSTYJCAFT-MRXNPFEDSA-N 498.338 5.188 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)C(=O)c1ccccc1 810238301 IVUGKDLMKYCNEK-QJOMJCCJSA-N 494.513 6.217 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1F 837300266 ALKBIRJCZPYREW-QVKFZJNVSA-N 466.513 5.081 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)CCc2ccco2)c1 837346924 UGCJJDCSMOJVFH-FDDCHVKYSA-N 477.586 5.270 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 837883364 FNVKOGWSIXZVES-VFNWGFHPSA-N 482.968 5.596 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1cccnc1 838521002 XLQCNGHLPKFHGU-IVZQSRNASA-N 496.539 5.090 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1F 838539901 HSXKVSZJRLWMRL-SZNDQCEHSA-N 484.503 5.220 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc2cc(C(F)(F)F)ccc2s1 857838514 WFTODADBROUKBE-CYBMUJFWSA-N 465.522 5.751 30 20 JKED C=CCn1c(SCc2nc(CCc3ccccc3)no2)nnc1-c1ccc(Cl)cc1Cl 904581846 AMRVBXJLIQOWPC-UHFFFAOYSA-N 472.401 5.898 30 20 JKED C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1nc2ccccc2n1C(F)F 914957665 ZNMRDBRJBDRWCK-CQSZACIVSA-N 481.459 5.072 30 20 JKED COc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCc1cccnc1 915049012 YJDVCWZSILSNRU-UHFFFAOYSA-N 482.565 5.298 30 20 JKED CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cs1 915991868 JNNUZWIHRCVTNY-HJWRWDBZSA-N 450.507 6.159 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)c1 916207211 CPHBAHWKROYQHO-HXUWFJFHSA-N 475.536 5.917 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(OC)cc1 916213567 DGVJPMZWXBIKSK-IBGZPJMESA-N 490.423 5.218 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1cccc(C(F)(F)F)c1 916217859 XOZUHYKSSBFZCQ-LJQANCHMSA-N 495.523 5.093 30 20 JKED Cc1ccccc1-c1nnc(S)n1N=Cc1c(C)nn(Cc2ccccc2Cl)c1Cl 916342028 SJQWTHYJBUCTTJ-UHFFFAOYSA-N 457.390 5.284 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc(O)c2c3c(sc2n1)CCCC3 916847145 MJYPUZYOKCHBCJ-QXLXQBSBSA-N 492.025 6.547 30 20 JKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1ccc(SC(F)F)cc1 916886309 FMUSTTZGTMTJPU-SFHVURJKSA-N 473.526 5.237 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887463 MWWHPUQUAAVYKE-HXUWFJFHSA-N 488.947 5.347 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(OCc2cccs2)c1 916887964 QSWHIZWFQSXHHA-LJQANCHMSA-N 458.511 5.603 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2c(s1)-c1ccccc1OC2 916904516 FTHDRVNUNYBDDJ-FQEVSTJZSA-N 466.518 6.061 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916907507 INVUEEDZAQAFIJ-DEOSSOPVSA-N 493.494 5.831 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)cs1 916910210 RXERHAUZKDZGIA-HSZRJFAPSA-N 499.617 6.497 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 916914697 RHBFEIDJHCVLTC-XMMPIXPASA-N 467.573 5.122 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916928492 MICKLMWIWWWKDL-CYBMUJFWSA-N 450.734 5.731 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OCc1ccccc1 916928626 PLBMEXPNOLQHSZ-GOSISDBHSA-N 499.350 5.551 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 916953883 WNMKWUHFLOKKAG-FQEVSTJZSA-N 461.499 5.024 30 20 JKED COc1cc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1c(C)noc1C 916972183 KOUZBWLVXLLALM-KCYOGNPLSA-N 499.592 6.201 30 20 JKED CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045244 YOKOWSGHIBFNTF-SJORKVTESA-N 492.498 5.299 30 20 JKED C[C@@H](NC(=O)COC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Cl)c(Cl)c1 917327990 MVUWTWQTMQEDKW-CQSZACIVSA-N 473.312 5.071 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(Br)s2)cs1 917558471 SSSRYKYPJOWUEV-QPJJXVBHSA-N 451.342 5.687 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccsc3)C2=O)cc1 917664739 OCYPRASZGCJEGE-QFIPXVFZSA-N 477.611 5.420 30 20 JKED CC(=O)Nc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)c1 917682118 FHBPFUJHAJPTEC-XMMPIXPASA-N 486.597 5.114 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)cc1 917683086 RGNLRZBKDNFFSS-VDKIKQQVSA-N 490.673 5.199 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ccsc1 917694807 NHGXVYNREVGLSV-JOCHJYFZSA-N 479.627 5.534 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C(C)C)c1 917712835 IQBGIYZBNPBAAJ-HXUWFJFHSA-N 473.520 5.422 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2ccc(COc3ccccc3C#N)o2)cs1 919514287 ROFAPKJOZKYNKX-UHFFFAOYSA-N 491.500 5.367 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)cc1C 919644165 NDBSBOBYINLIHQ-UHFFFAOYSA-N 487.531 5.107 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C3=Cc4cc(Br)ccc4OC3)n2)cc1 920141169 MMKPCNGZCFNUAY-GOSISDBHSA-N 462.328 5.097 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3c(C)noc3C)C2=O)cc1 920360432 YGXIHBDMFRSKBV-RUZDIDTESA-N 498.608 5.914 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccc3[nH]c(C)c(C)c3c2)C1=O 920824725 BFPFNGOASCHFTL-FQEVSTJZSA-N 488.535 5.071 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 920871275 WIZYPQAGVAGWPJ-WZONZLPQSA-N 461.587 5.083 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2c(Br)cc(F)cc2Br)cc1OC 920970804 REIHQERWNZRMEZ-ALCCZGGFSA-N 485.147 5.576 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4cc(Br)ccc4c3)C2)C1 1778396146 ILBBVKZZUVIOCU-AREMUKBSSA-N 499.449 5.038 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CSc3ccc(F)cc3F)cc2)CCC1 1786323207 JVOZDXYYEGHPBE-UHFFFAOYSA-N 462.587 5.110 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1786375009 IJQRZRHJGQXIDM-OAHLLOKOSA-N 464.459 5.183 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3C(F)(F)F)cc2)CCC1 1786606864 KPEAHKXOVNXKON-MRXNPFEDSA-N 493.501 5.322 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787133436 MXFFPFNJEQYKBY-SFHVURJKSA-N 461.537 5.160 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cc4ccc(F)cc4)cc3)CCC2)cc1 1787889027 AMQPMUFDSRWGAG-UHFFFAOYSA-N 455.533 5.468 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2)CCC1)C(F)(F)F 1788685820 VWTMTXPZSITMGJ-UHFFFAOYSA-N 486.519 5.380 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2)CCC1 1788685840 XCCUFLRZJJDKIL-UHFFFAOYSA-N 458.587 5.065 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(OC)cc4[nH]3)cc2)CCC1 1788976105 SFFNTJMLCWMHGY-HSZRJFAPSA-N 457.574 5.693 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)CCC1 1789026152 OAMIDPCAWODZTJ-MRXNPFEDSA-N 496.405 5.269 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(F)c(C#N)c5)CCC4)cc3)c2c1 1789273840 IYUQUYTWKPDJTL-UHFFFAOYSA-N 496.542 5.178 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1789493822 GKUZZXLFVZLGOW-VWLOTQADSA-N 469.585 5.069 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccnn3C(C)C)cc2)CCC1)c1ccc(O)cc1 1789800998 GIZKAPAXGCYDNN-JOCHJYFZSA-N 484.600 5.115 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)cc2)CCC1 1790692108 IBIBNKZLFVSWTP-IBGZPJMESA-N 493.604 5.372 30 20 JKED COc1cc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)c(F)c1 1790766718 IXYPWMVORDEDMY-UHFFFAOYSA-N 479.458 5.046 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(Br)c4[nH]3)CCC2)cc1 1791583527 IFFRKADYMZOISX-UHFFFAOYSA-N 478.390 5.482 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1O 1792122611 CUYZLPQXWRSKLG-IBGZPJMESA-N 483.568 5.018 30 20 JKED CC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cc1 1792135460 PBJSZADBZUNLKT-UHFFFAOYSA-N 486.959 5.232 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(Cl)c3)CCC2)cc1 1792240566 HXQKMEPZGKFKBC-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](CC(C)C)N(C)C(=O)OC(C)(C)C)cc3)CCC2)C1 1792343675 YPTLHWKUSIUKED-HSZRJFAPSA-N 483.653 5.368 30 20 JKED CC[C@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)nc1C(F)(F)F)c1ccccc1 1796458598 LOEKPNNSHXCOCS-UTVCDAKHSA-N 498.549 5.054 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1)c1cccc(C(F)(F)F)c1 1800407148 ARJBIBYLZUCYJE-BJWYYQGGSA-N 488.403 5.429 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4occc4n2-c2ccccc2)C3)c(Cl)c1 1800690659 WUSABBGHOFICIX-NUZGMZIFSA-N 498.970 5.314 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@H]2c2cccnc2)C1 1802405816 GFQCSPQLOCQQOO-UZWGSGPUSA-N 492.063 5.681 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1802491983 JDXTZGJJOWKUMT-LSYYVWMOSA-N 484.644 5.261 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1802740538 XPOCIVPZIFNQTE-BLFHIAQRSA-N 487.003 5.304 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1802964150 WKYBOYHYDRYLIA-PWUYWRBVSA-N 493.994 5.260 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1803089603 CHNVGAXZKQRXNW-RLWLMLJZSA-N 489.019 5.371 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)C1CCC(c2ccc(Cl)cc2)CC1 1803221561 JITAPDDYVKORTD-UTKOEOAASA-N 490.047 5.128 30 20 JKED CO[C@@](C)(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1)c1cccc2ccccc12 1803681796 YRJZEDXOVDSAKT-GDAXGPMHSA-N 495.623 5.280 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(Br)c(Cl)cc4F)CC3)C2)C1 1804787212 OAWPZCQFXHCSKB-UHFFFAOYSA-N 483.809 5.053 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)C2)CC1 1805894572 RJPHYAMCSGFKSB-LADGPHEKSA-N 497.680 5.004 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)C1 1806064057 YIAKFYANYYTVHZ-SANMLTNESA-N 489.685 5.406 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3ncccc23)[C@H]1c1cccnc1 1809010611 USUOYXZCPIWNDZ-QDPGVEIFSA-N 498.703 5.001 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1cccnc1)c1ccccc1 1809030666 OSKRFOZZBZOVGO-XQFUHLNNSA-N 490.607 5.080 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)cc2c1 1809158552 WHANEUQXVJBZLS-IBVKSMDESA-N 497.986 5.030 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1)c1ccccc1 1809242520 DBCXYCTVZFKDBQ-ZEZDXWPOSA-N 491.591 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1809306575 QLNXVFRSXOTJMA-AHWVRZQESA-N 470.617 5.250 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1809396829 QNITURYJBUMEQM-GBXCKJPGSA-N 479.024 5.528 30 20 JKED C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1cccs1 1810276782 JJPAHTIVHTXGPT-XTJBDQBJSA-N 481.738 5.004 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)ccc(F)c1F 1810277735 TUKLBHOAPDGPBE-QFQXNSOFSA-N 497.662 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1810500613 UQBVQKDIPGBUGQ-NVQXNPDNSA-N 470.617 5.250 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811426524 YWLWNPCEJMXLHF-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811719268 WSVYBIGHWHEUJV-WXVAWEFUSA-N 487.625 5.113 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@@H]1c1cccnc1 1812667409 DDPIBEVTMQLHIW-ZNEWLNCYSA-N 469.576 5.129 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1 1812808300 GOVGZCBOEODTDZ-AOYPEHQESA-N 460.622 5.269 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1813048745 IFBOHASHNDAYGR-DFHRPNOPSA-N 496.636 5.415 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1813975899 HKVSBUFCMZYYRL-LUQKVYGDSA-N 479.930 5.286 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(Br)nc2C)[nH]n1 1814443529 YZMAZKHWNYCIFK-HNNXBMFYSA-N 494.459 5.235 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c(F)cccc2Cl)n[nH]1 1814668279 JNDHVHMAJVJLND-OAQYLSRUSA-N 458.965 5.205 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)sc2C1 1816952430 ZVUDBEYJMKFTQJ-IRXDYDNUSA-N 498.052 5.001 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ncccc34)n[nH]2)c1 1818474348 CZRCKULFRLJDOR-BVZFJXPGSA-N 478.556 5.205 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4ncccc4c3)n[nH]2)c1 1818480077 TXXVOUYLUZBNNY-IQGLISFBSA-N 478.556 5.205 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)[nH]n1 1819557281 FFEZTHJBTQGXOW-FQEVSTJZSA-N 489.661 5.041 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820090280 SCXFCGUOVGWZAI-LJQANCHMSA-N 493.514 5.464 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3nc2Cl)n[nH]1 1820159584 NQOXCAHFEXWUFY-XCLFUZPHSA-N 487.938 5.408 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)[nH]n2)c1Cl 1820221330 UGHVEUPLYPIOQX-IBGZPJMESA-N 499.905 5.156 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c1 1820433501 OSKPOXQVGKWLBB-BTYIYWSLSA-N 479.943 5.449 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)s1 1821241044 KNMSTORPLOYRLQ-SFHVURJKSA-N 498.406 5.034 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821272671 MPRWQJBBQSSLIE-FQEVSTJZSA-N 465.916 5.002 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccc(C2CC2)cc1 1821302505 GPGZYHFRGYXREL-IWGBCORSSA-N 474.586 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cccc(OC)c23)n[nH]1 1821490938 PXHATMTXDDPECF-FQEVSTJZSA-N 463.582 5.198 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)cc2Cl)[nH]n1 1822393262 PYRMJKVONXPLOH-IBGZPJMESA-N 496.917 5.114 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1)c1ccc(O)cc1 1822466765 NAFQCYZRMHBYBK-QMHWCDLVSA-N 490.629 5.170 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)[nH]n1)c1ccc(O)cc1 1822468603 CCPXWDOOLXXQDC-AWTIUKJOSA-N 496.611 5.108 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)ccn3)[nH]n2)c1 1823218342 QQQCBPREXKTIOJ-VFNWGFHPSA-N 496.493 5.070 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccsc3)[nH]n2)cc1C#N 1823291094 UPVLULPDWOSLNQ-JOCHJYFZSA-N 491.617 5.069 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)CC2)cc1 1823664694 RFGWDWWBGDLRTJ-HHHXNRCGSA-N 496.611 5.079 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1823750669 DPOJPTQKSWGTJJ-HLJPNSHOSA-N 454.577 5.331 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824055735 CSQRUAQCBINNJI-DWACAAAGSA-N 482.628 5.051 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)n2C)CC1 1824142003 CFGMEEIRSUIIIM-HXUWFJFHSA-N 465.560 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)CC1 1824142070 FKGDTQZBEJVZLD-BPHNFWMXSA-N 464.675 5.262 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1824144015 ZAGLWOHGLSBTOB-BJKOFHAPSA-N 489.701 5.068 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1824387625 MBNHNYAPGCFVAW-UMTXDNHDSA-N 489.685 5.728 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccncc2)CC1)c1ccccc1 1825253277 GMDJWGJHFIMFQR-WDYNHAJCSA-N 485.672 5.221 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1827545311 HZYDUWFZNCDSLB-OEMFJLHTSA-N 491.717 5.148 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828154108 HSVBVWJTVAAELD-TZIWHRDSSA-N 462.656 5.228 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828508316 FHROFKJMBKDLFV-JOCHJYFZSA-N 493.595 5.339 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1828827792 VGFGSKCVRACSRR-DHIUTWEWSA-N 462.556 5.707 30 20 JKED Cc1cc(F)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689856 UHPMSLMYUGMPLI-QHCPKHFHSA-N 467.972 5.206 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1829694498 BHZNCVDZQRUFFV-HHHXNRCGSA-N 483.656 5.851 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2SCC)CC1 1829864961 MBQSRSAWJRQJSH-QFIPXVFZSA-N 455.668 5.195 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3F)CC2)c(Cl)c1 1829890859 HDDWWUGLYKBXTB-QFIPXVFZSA-N 471.935 5.037 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830539708 HMSHTSGPDHGGKC-FQEVSTJZSA-N 454.920 5.006 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cnccc4c3)CC2)c(Cl)c1 1830721280 AZYIOKXZNYICIU-SANMLTNESA-N 487.003 5.307 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830772800 DCGDJXNBQFLVPU-QFIPXVFZSA-N 466.544 5.058 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1831373347 CMKOLGKIMAGLBO-UUOWRZLLSA-N 469.029 5.176 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1831447240 YVGCCTDSJDJLDT-XMMPIXPASA-N 467.560 5.193 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831861808 YYHSEHTUDAUNOK-AVRDEDQJSA-N 450.545 5.091 30 20 JKED COc1ccc2oc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2c1 1832632806 VWJFJJJOXVTGDN-IBVKSMDESA-N 499.611 5.616 30 20 JKED Cc1ccccc1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634361 QMSNRRLPCUTFGW-QDPGVEIFSA-N 471.645 5.488 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1832712172 VJWNYZNJFOEGSK-GOSISDBHSA-N 494.451 5.420 30 20 JKED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CCCCCCCCCc3ccccc3)CC2)CC1 1834607852 ZOPBTTBIZSGQOS-UHFFFAOYSA-N 494.724 5.225 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)CC1 1836695237 NPTZOAIQXNYLLO-UHFFFAOYSA-N 489.660 5.371 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)c1 1838190710 POYAYSFAOIVTSE-JOCHJYFZSA-N 495.623 5.393 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/Sc3ccc(C)cc3)CC2)CC1 1838371558 IFMKEECIVDEUSB-NGIPLVLYSA-N 482.690 5.368 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)CC1 1838375850 USQYFENBBORWGY-NRFANRHFSA-N 496.545 5.225 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1838685813 CICFFGQYELIDRA-IBGZPJMESA-N 474.045 5.040 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1841057856 IEWZIWPMYMNXDG-HXUWFJFHSA-N 483.653 5.333 30 20 JKED C=CCOCCCC(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1841605861 BXHLSGOZCWZUNM-UHFFFAOYSA-N 484.596 5.432 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)C1 1844653971 SPDPLSGKVGCVOC-UHFFFAOYSA-N 459.615 5.482 30 20 JKED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2ccc(F)c(F)c2CSc2ccccc2)C1 1844759078 FFMMOQHUQXDJLY-QFIPXVFZSA-N 490.641 5.029 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccccc2Cl)cc1 8752778 JNNCNETYAXINIK-VOIUYBSRSA-N 484.025 5.131 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1ccccc1 9446881 STCRRPAOUCQJGG-DEOSSOPVSA-N 470.598 5.920 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)n(-c2ccccc2)c1C 10376881 CRJLPSLBWVWJKP-UHFFFAOYSA-N 474.615 5.352 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSC4=NCCS4)c3C#N)C(C)(C)C2)o1 10863364 YNYADYQRZRYKKY-FNORWQNLSA-N 469.657 6.074 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)NCCc2ccc(OC)cc2)cc1 22802058 RPKYWJGNURVSCU-UHFFFAOYSA-O 461.651 5.241 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccncc1 23338795 VOQIMZKWKPRAKV-MRXNPFEDSA-N 486.626 5.179 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(N(C(C)=O)c2ccccc2)n1 23632784 RRTVZPGGZWQSGY-UHFFFAOYSA-N 495.605 5.616 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(COc2ccc(F)cc2)o1 32041963 DPBZSUKHGWEWOI-VXGBXAGGSA-N 453.354 5.637 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1Cl 32246176 SDWOXGCSTSDHAH-UHFFFAOYSA-N 461.949 5.525 30 20 JKED C=CCc1cc(C(=O)N(Cc2ccccc2)[C@H](C)c2cccc(NC(C)=O)c2)cc(OC)c1OC 36800852 GCAAFPFVIFFIFU-HXUWFJFHSA-N 472.585 5.794 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1[C@@H]1COc2ccccc2O1 39524598 MUGZZMAFQVNBIF-NRFANRHFSA-N 496.589 5.444 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 71844557 BTLHHOYGRXFAEC-URXFXBBRSA-N 474.630 5.465 30 20 JKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 108370861 TUACBTTZEAVBJF-UHFFFAOYSA-N 495.539 5.222 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1cccnc1)Cc1ccccc1C 108690083 JCBBVVGEURQAII-UHFFFAOYSA-N 494.389 5.031 30 20 JKED C[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C(c1ccccc1)c1ccccc1 409523600 UHJWTWZQAOZISG-NRFANRHFSA-N 466.585 5.139 30 20 JKED Cc1cccc(N2CCN(CCCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c1 477987997 QPPMBLCMHUIBPS-UHFFFAOYSA-N 484.669 5.101 30 20 JKED N#Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(F)(F)F 481942396 GLCCRTQINMPLIG-QGZVFWFLSA-N 486.277 5.049 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)CC2)c1 491467566 IIKORMTZPBDMSA-UHFFFAOYSA-N 460.484 5.386 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(Oc3ccccc3)c2)cc1[N+](=O)[O-] 495564627 JYDWIJQVHMCXBV-UHFFFAOYSA-N 483.484 5.425 30 20 JKED Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cccc1C(=O)Nc1ccccc1 498456377 DKPCDHYAFRTIJE-UHFFFAOYSA-N 463.562 6.523 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OCc3cccnc3)c2)nnc1-c1ccc(Cl)cc1 502121435 LPXOAVUWJSSJEB-UHFFFAOYSA-N 492.004 5.489 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 502905944 SSGBLRKOVLPODY-UHFFFAOYSA-N 464.900 5.079 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1cccnc1 503713052 LPJJWBCYOLVGFC-HNNXBMFYSA-N 472.599 5.757 30 20 JKED C=CCn1c(SCc2cnc3c(cnn3C(C)C)c2)nnc1-c1ccc(Br)cc1 504300249 XFBJVWBGVODESL-UHFFFAOYSA-N 469.412 5.512 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 505609797 JFEAKXOQPUQAAS-FQEVSTJZSA-N 469.526 5.190 30 20 JKED CCn1c([C@H]2CCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 506213018 VRAUPORITHJKCV-AREMUKBSSA-N 450.542 5.484 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 506518879 VMYYGYNZUIIJHY-UHFFFAOYSA-N 484.556 5.337 30 20 JKED COc1ccc(CC2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CC2)cc1 506658629 CPVBZVLZYAZNQS-UHFFFAOYSA-N 479.631 5.197 30 20 JKED N#CCCCCNC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 509349545 YSBZPEGACAZGDO-LJQANCHMSA-N 451.423 5.147 30 20 JKED COc1cc([C@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1OCc1ccccc1 511204959 LUHIAFMKAOSVGI-NRFANRHFSA-N 485.584 5.460 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)CC1 512281792 ZOZUAHJTIIHBOR-QFIPXVFZSA-N 492.988 5.643 30 20 JKED COc1nn(C)c2nc(C)c(CCC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)c(C)c12 512304582 MFPDFPNRHUKCPS-UHFFFAOYSA-N 485.563 5.079 30 20 JKED C=CCn1c(SCC(=O)N(c2ccccc2)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1 514210877 KSAOTJVPGASUJS-UHFFFAOYSA-N 482.034 6.006 30 20 JKED Cc1cccc(-c2nc(CC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cs2)c1 515446798 CEHXZZWGZKINDM-UHFFFAOYSA-N 452.539 5.424 30 20 JKED COc1ccc2cc(CNC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)ccc2c1 515883349 VDQZGWCQZZDBKH-UHFFFAOYSA-N 485.927 5.421 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 516241326 OGJSJJYBOXDFJT-UHFFFAOYSA-N 450.476 5.291 30 20 JKED Cc1noc(CSc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)n1 516270037 LCAPQOWUKQRPGZ-LJQANCHMSA-N 457.540 5.156 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517315142 DVLXVSGTBYCIAZ-UHFFFAOYSA-N 463.896 5.296 30 20 JKED Cc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1cccc(Br)c1 517455657 ZKVVRSGVTPYBQW-AWEZNQCLSA-N 455.381 5.447 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 517530675 WYIAQQMKCYBKSX-HOTGVXAUSA-N 457.987 5.012 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 518240920 LPOVXTOIYBWEKZ-SFHVURJKSA-N 494.580 5.781 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 518651270 OJIVFZYKPXKEGP-UHFFFAOYSA-N 465.351 5.382 30 20 JKED CCc1sc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)nc1-c1ccc(OC)cc1 518725872 ZZCFMJLGAPEORM-UHFFFAOYSA-N 462.575 5.047 30 20 JKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(OC)cc2)cc1 520196115 XTLPLZXNDSCMJL-KBMIEXCESA-N 475.614 6.204 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 520200729 QNCWEOQXYRTZBS-QFBILLFUSA-N 450.589 5.525 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 520935735 KLCUIXIEQMOUGD-UHFFFAOYSA-N 459.421 5.450 30 20 JKED Cn1ccnc1[C@@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccccc1F 521821879 CAKURJXIPUDHJB-PKOBYXMFSA-N 461.381 5.310 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 524427832 IXBYEGJTBMXNJL-UHFFFAOYSA-N 487.581 5.037 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 551602873 PBLCHIARRLZGTJ-GBXCKJPGSA-N 485.975 5.324 30 20 JKED N#C[C@@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccc(OCc2ccccc2)cc1 552457330 NVTBGHGCOMYYEW-RUZDIDTESA-N 481.577 5.252 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 561161349 ULZWPLCXLSGRPJ-MRXNPFEDSA-N 455.543 5.319 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC[C@@H](O)COc1ccc(CC#N)cc1 582957534 XFNFMOUVMODFSJ-DEOSSOPVSA-N 496.563 5.294 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1)c1cccc(Cl)c1 594669242 LOPKGRCUWDWTGV-UHFFFAOYSA-N 464.881 5.030 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](OCC(F)(F)F)C2)cc1Cl 603829008 MPJIWGAZWXMDDJ-HKUYNNGSSA-N 451.876 5.571 30 20 JKED C[C@H](c1ccccc1)n1c(SCCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1 603917229 HHRLCTKGKSGRHW-LJQANCHMSA-N 453.571 5.547 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 608878393 VIPVBDHRKRPVIK-QFIPXVFZSA-N 461.949 5.499 30 20 JKED N#CCCCOc1cccnc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 608883266 DAHGRPIDNXTKCO-UHFFFAOYSA-N 460.484 5.762 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc(OC)c1OC 609008122 PBRYYQMXEVVMEO-ZDUSSCGKSA-N 484.883 5.594 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc(OC)c1OC 609008885 WJFNWXWDNQNEIC-QGZVFWFLSA-N 456.951 5.397 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)C2)c1 609063584 DYQFMYJSIWAOLO-QHCPKHFHSA-N 468.557 5.328 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)c3ccc(Cl)cc3)CC2)c1 609186098 WYQNMJCIRKZSQS-QGDZQMKYSA-N 492.019 5.055 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 609399470 XLQZRUVRCBLDPA-MUUNZHRXSA-N 464.569 6.572 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 609427733 GXOCNFHJSYQYAA-HNNXBMFYSA-N 453.564 6.095 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 609437108 PMEYYBZXSXIWJT-OAQYLSRUSA-N 481.625 6.314 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)n2)cc1 613314241 DSTCTPZPYGFCGL-QFIPXVFZSA-N 479.627 5.092 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1OC 613402481 BDAGTUZIOTWITI-CYBMUJFWSA-N 455.948 5.580 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404034 JDJHSFHPJMDFHB-INIZCTEOSA-N 458.440 5.747 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)nnc1-c1ccoc1C 613907623 JNSSSMKLFAQVSR-QHCPKHFHSA-N 476.627 5.360 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)nnc1-c1ccc(Br)cc1 619154341 VTGPSAKFCUCZIM-KXBFYZLASA-N 499.434 5.014 30 20 JKED N#C[C@H](C(=O)c1ccn(-c2cccc(F)c2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 620058220 JXKWJMDMQTZSPK-MRXNPFEDSA-N 457.317 5.932 30 20 JKED COc1cc2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)[nH]c2c(OC)c1OC 620304628 XDIIWKCKOQRYNA-LBPRGKRZSA-N 469.469 5.085 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643049480 JDODTRKESCXPPL-MYJAWHEDSA-N 484.746 5.323 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cccs2)cn1 726109342 BRXUKKXPEJDQHW-JOCHJYFZSA-N 489.626 5.278 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1ccc(Cl)cc1Cl 726322640 YUUDPJAKZLOYSN-OAHLLOKOSA-N 498.313 6.026 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2ccco2)C1=O 726415559 MADRBCNNERDKMV-QHCPKHFHSA-N 493.585 5.236 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1sc2nc(C)nc(C)c2c1C 727062225 VRJYZSNEONMISX-UHFFFAOYSA-N 465.604 5.253 30 20 JKED N#C[C@@H](C(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 727626806 GBWGXVQJULZQHW-IBGZPJMESA-N 468.431 5.658 30 20 JKED CC(C)CC(=O)N[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 727632170 RXGSQTKBWDRYBW-AOMKIAJQSA-N 453.514 5.168 30 20 JKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ccc(N4CCOCC4)c(F)c2)CC3)cc1 727780305 KHQCVGQNPALMNV-NBVRZTHBSA-N 450.535 5.007 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1F 728425504 NPKBSWSRWRTIQW-HXOBKFHXSA-N 487.560 5.122 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2cn(-c3ccccc3)nn2)C(=O)c2ccccc2)c(Cl)c1 728698090 CJUSNPZWSDSVPJ-JCMHNJIXSA-N 456.933 5.443 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CCCCC#N)C2=O)cc1 728776927 VLRLMCPMXSHGEL-RUZDIDTESA-N 498.608 5.697 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 729569324 NKRNAQDUHQNXJD-HXUWFJFHSA-N 482.556 5.045 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ncccc3C)C2=O)cc1 729630672 DOZHACPSDVFXQA-DEOSSOPVSA-N 488.613 5.258 30 20 JKED N#Cc1cccc(COc2ccc(N[C@@H](C(N)=O)c3ccc(Br)cc3)cc2Cl)c1 729676558 NWGWXZPPGSDLLX-OAQYLSRUSA-N 470.754 5.192 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944271 VFOMFHRJSBIOCJ-FDDCHVKYSA-N 474.586 5.202 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)o2)cc1 746417285 VFHQDHMTLGKEMZ-SFHVURJKSA-N 498.391 6.590 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCOC(C)(C)C)C2=O)c1 746697817 MRVKTTVVPGOCHD-HXUWFJFHSA-N 490.025 5.124 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)cc1 747603322 SGLBJJKXVQLOQC-NRFANRHFSA-N 496.633 5.609 30 20 JKED N#Cc1ccc(CN2C/C(=C/c3csc([N+](=O)[O-])c3)C(=O)/C(=C/c3csc([N+](=O)[O-])c3)C2)cc1 749454482 ZYIPXPQTXKGRAL-WMXOHYAGSA-N 492.538 5.050 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)cc1OC 837301046 OSCSLFYDIDLAQY-NRFANRHFSA-N 499.589 5.065 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)CCc1ccco1 838481059 HEPUTXWPTDXOOY-WZONZLPQSA-N 477.586 5.270 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 914543865 NJNRWBLPUSRTCA-ZHRRBRCNSA-N 496.995 5.273 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccccc2COC(C)C)c(C)c1 914545731 LYRWAFACQJUZTQ-XMMPIXPASA-N 479.646 5.029 30 20 JKED CCOc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1 914545929 ABMJMQHPRGFVOY-JOCHJYFZSA-N 492.576 5.088 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 915737016 HTFIEZSCTSMWBX-UKILVPOCSA-N 469.541 5.387 30 20 JKED CC(C)N1C/C(=C/c2csc(-c3ccccn3)n2)C(=O)/C(=C/c2csc(-c3ccccn3)n2)C1 915981517 RBUUAKZMXHWLLJ-VHVWWYSBSA-N 485.638 5.484 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1OC 915991589 APKYQFMOXPUOFF-UXBLZVDNSA-N 476.916 5.142 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCc2ccccn2)cc1 916213152 ZXMPUUYIDIJUAN-QHCPKHFHSA-N 493.032 5.555 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C[C@@H]1CCCO1 916216850 ZZSKYXLCRVGBAA-GBXCKJPGSA-N 473.598 5.288 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 916216983 ALYWSVHODHRTBC-IBGZPJMESA-N 497.514 5.231 30 20 JKED CC(=O)N(c1nc(C=NNc2ncnc3sc(C)c(C)c23)cs1)c1ccc(F)cc1F 916309328 IVLVBZCTMLCJEB-UHFFFAOYSA-N 458.519 5.173 30 20 JKED COc1cc(Br)c(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OC 916310395 ZSJPNJSQGZFUTH-UHFFFAOYSA-N 484.375 5.095 30 20 JKED Clc1cc(Cl)c(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)nc1Cl 916319074 CCSMRDDSVAAWHJ-UHFFFAOYSA-N 468.797 5.448 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916888177 SPILHSHHOTWAFE-KRWDZBQOSA-N 473.526 5.485 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1Oc1ccccc1 916911931 YMEIZIOJLYEVMY-XMMPIXPASA-N 462.505 5.943 30 20 JKED Cc1ccc(SCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)c2)c(C)c1 916967908 ZSIJOBUQKPYGRM-JOCHJYFZSA-N 472.566 5.328 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 916977011 ZTPQACNTZLKUBF-WMZOPIPTSA-N 455.992 5.396 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 917043897 QSIVAICPBHSWOP-CYBMUJFWSA-N 494.907 5.987 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1nc2cc(Cl)ccc2s1 917046098 FHRBIVOLCITRNC-XJKSGUPXSA-N 489.931 5.280 30 20 JKED CCCCc1oc2ccccc2c1/C=C\C(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 917505458 YTMSTQVRCIFPBZ-XYSUMVETSA-N 495.583 5.082 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cccc(C)n3)C2=O)c1 917661819 QIXJKUSOGBICQM-XMMPIXPASA-N 488.613 5.176 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2F)n1 917663402 BNWKZQMXUKNPSZ-DEOSSOPVSA-N 499.571 5.238 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(C#N)cc2)C1=O 917674014 LJAOPGRTALVEGG-QHCPKHFHSA-N 489.000 5.681 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 917713656 NCZIRUNWRMQYHL-UHFFFAOYSA-N 468.563 5.364 30 20 JKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)c1 918636529 MVUBCCLPLZWMJF-JZJYNLBNSA-N 477.589 5.475 30 20 JKED O=c1c2ccccc2c(-c2ccc(F)cc2)nn1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918733163 NYLDMMUSNSPIJR-HUUCEWRRSA-N 473.392 5.223 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 919773547 QRLDDMKRKLYDGB-DVECYGJZSA-N 452.583 6.657 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3c(ccc(Cl)c3Cl)C2=O)cs1 920066089 LBZYDDAUHUBSOV-XYOKQWHBSA-N 479.772 6.447 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 920102440 SPYJNDKZGYNOSN-GOEBONIOSA-N 478.599 5.017 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920108150 AWLVUQQBEZFESJ-HRAATJIYSA-N 496.032 6.089 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)n2)cc1 920144160 XZBPQYWLWDHPHY-HSZRJFAPSA-N 492.556 6.391 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2c(F)cccc2F)cs1 920806662 NBPNPTADIIJXQK-RDJZCZTQSA-N 485.943 5.470 30 20 JKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=Nn3c(S)nnc3[C@@H]3CCCO3)ccc2c1 920828199 WGHMEJSBJZWYHR-DEOSSOPVSA-N 496.596 5.315 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 920834828 ZHQBJQROXMPNKI-UHFFFAOYSA-N 478.517 5.744 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N/C[C@H](c1cccs1)N1CCCC1 920944494 YEJGDDHZOGTKHT-IXJMWADBSA-N 458.219 5.235 30 20 JKED C#CCNC(=O)c1ccccc1NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 921162772 OYCPEFJIJSFVRK-SILNSSARSA-N 481.577 5.237 30 20 JKED CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCC1(F)F 1541513482 UTKQMFFKBVYKHI-GOSISDBHSA-N 483.567 5.186 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5nscc45)CCC3)cc2)cc1 1785882479 GQOMZGDCFZVJJP-UHFFFAOYSA-N 466.566 5.158 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786366477 KPGFIQHSOLYVNF-GYGTVUFYSA-N 487.644 5.481 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C(F)(F)F)CCC2)cc1 1786391673 ROOIAFOWPLLBFZ-OAQYLSRUSA-N 479.568 5.122 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1Cl 1787130651 STPYIZVLSIRISY-UHFFFAOYSA-N 490.007 5.419 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccsc3)cc2)CCC1 1788238961 ZEFNZMBIOVMWBG-QFIPXVFZSA-N 497.661 5.284 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc4scnc4c3)cc2)CCC1 1789340139 QRRTZBYMLXEFCO-PKNBQFBNSA-N 487.606 5.545 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4[nH]c5ccoc5c4-c4ccccc4)cc3)CCC2)CC1 1789995274 IFNUJDZXSHKVDC-UHFFFAOYSA-N 464.525 5.479 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cc(F)ccn4)CCC3)cc2)c1Cl 1790081892 NMCGZIXZAPDMLR-UHFFFAOYSA-N 476.939 5.126 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3C)CCC2)cc1 1790569808 SLWPPAKSEXDGAS-KRWDZBQOSA-N 475.511 5.562 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc1 1790684909 CFRJBGOMUCLLAQ-RDRPBHBLSA-N 473.573 5.324 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)on1 1790767625 BVWNYPCIJJBSBV-UHFFFAOYSA-N 462.937 5.385 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)CCC2)cc1 1791247624 BCZRWOVMORHWBP-SFHVURJKSA-N 458.562 5.045 30 20 JKED C/C(=C\c1cccnc1)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1791850789 DAEGYEINEMWVQK-HEHNFIMWSA-N 464.569 5.123 30 20 JKED COc1nc(C)ccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124849 MNJHTWBBNQVVJJ-SFHVURJKSA-N 468.557 5.087 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccn5cncc5c4)CCC3)cc2)c1 1792125338 VTBVIHFKGJBHKU-IBGZPJMESA-N 463.541 5.023 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)CCC2)cc1 1792267285 MNZBCLJLOLUTLD-DEOSSOPVSA-N 481.637 5.008 30 20 JKED CC(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)c(C(F)(F)F)c1 1797022016 BCHRPJDFNSEXJR-BJWYYQGGSA-N 492.929 5.178 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)C2 1798417679 ZAPZVFPLYFSVSP-QKITYWFPSA-N 491.752 5.054 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)c(F)c1 1799646203 VVRWUURQYJNUQQ-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(C(F)(F)F)c1 1800425161 NGTJMNZSTBGUNX-MHORFTMASA-N 499.371 5.488 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1802733260 CJHYESNIPSXMIN-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2ccc(F)cc2F)[C@H]1c1cccnc1 1803487237 UXHJNWUOCUNGHV-NTKDMRAZSA-N 487.616 5.150 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1803561427 HFSKQXUQOFSLMI-IRPSRAIASA-N 499.611 5.176 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)Cn3ccc4c(F)cccc43)C2)CC1 1805464209 VBIACPGVKOBCJD-UHFFFAOYSA-N 495.715 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)C2)CC1 1805946025 IJQOXNFCCLANNJ-ZEQRLZLVSA-N 452.639 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807836181 NURGLGGFNCCLDH-UHSQPCAPSA-N 494.639 5.540 30 20 JKED C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810277096 MFNHOKLBVIVGHV-KODFZCBSSA-N 489.736 5.017 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810534853 FZXNOBDKGGVMGH-GSLIJJQTSA-N 477.674 5.265 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(Oc4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1810717824 UDDNAYSIKYBSMO-KCWPFWIISA-N 467.569 5.160 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1811095776 AHBYZVDQSCWUDI-KNQAVFIVSA-N 488.129 5.167 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)c3c(Cl)cccc3Cl)[C@H]2c2cccnc2)c1 1811715918 MZDLFCSUCCOFSD-GAJHUEQPSA-N 497.357 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4ccoc34)[C@@H]2c2cccnc2)c1 1812233519 NZDSZOPMMGKUMK-LUPFDQBXSA-N 478.552 5.088 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@@H]1c1cccnc1 1812667408 DDPIBEVTMQLHIW-QLBRKBSLSA-N 469.576 5.129 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)[nH]n1 1814439952 HPMGWZABDCKTKM-HSZRJFAPSA-N 459.594 5.185 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)[nH]n1 1814828377 JEKICOCEXCZFEM-RUZDIDTESA-N 469.589 5.546 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1 1816102208 UIBWPAJIYNOZKI-OAQYLSRUSA-N 467.520 5.231 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818114365 VQVDFEAZFIYPFR-USFLJJBZSA-N 490.629 5.342 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985088 ALUJKICNUBZXKO-OAQYLSRUSA-N 485.510 5.409 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1)c1ccccc1 1819190492 PTXPKBIQHSRPKI-AUSIDOKSSA-N 485.613 5.456 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1819359096 IVHOWJVIEMVRMQ-JLQMKUNGSA-N 471.586 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cccs3)on2)n[nH]1 1819786258 VNPXQOAANOZOEV-IBGZPJMESA-N 465.579 5.201 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)n[nH]1 1820108847 FZCRZTWXMLHESB-XMMPIXPASA-N 480.572 5.062 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)c1 1820484314 KNERDOQVSFBZRE-NRFANRHFSA-N 473.920 5.301 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1)C(F)(F)F 1821149613 YQZHHXXWJPHOSO-GOSISDBHSA-N 464.488 5.011 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2NC(=O)OC(C)(C)C)n[nH]1 1821156508 VYCPDUVBNOAFHJ-UTKZUKDTSA-N 481.597 5.275 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)[nH]n2)c1 1821271288 OAYUSAJEWUSYOF-ALLBUHFWSA-N 491.489 5.095 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)[nH]n2)c1 1821275054 BGDCQAQWUDMYTB-NRFANRHFSA-N 490.926 5.175 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)COc4ccccc4C#N)[nH]n3)sc2c1 1821525754 BAWDCGIVIHLQAQ-OAQYLSRUSA-N 499.596 5.189 30 20 JKED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1cccs1 1822707648 OTPWTWVNBROEPD-KBXCAEBGSA-N 467.982 5.106 30 20 JKED CCn1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c2ccccc21 1823211341 CWQSCVZXGLCQSW-UUOWRZLLSA-N 495.587 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c1 1823217563 NDZLCIHLLXPKSF-QVKFZJNVSA-N 479.943 5.449 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823217776 XIBRZKXCOWNWRC-HXOBKFHXSA-N 459.525 5.104 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2Cl)N(C)C)CC1 1824145152 UNPRGLHBJRNOSP-FTJBHMTQSA-N 486.100 5.331 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4sccc4c3O)sc2C1 1824180130 XIOZQHDTMHBFMH-HUUCEWRRSA-N 467.616 5.058 30 20 JKED O=C(c1ccccc1Oc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824413756 WVNXCBJLIXKAIY-AREMUKBSSA-N 456.586 5.126 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824447392 QQFPCVBYSDGDCL-QFIPXVFZSA-N 477.571 5.198 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1824501973 YMLRQWWUDDVEDO-QFIPXVFZSA-N 485.427 5.349 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1824545442 VMEVKFFIZVNCAP-UXHICEINSA-N 474.564 5.032 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)s1 1825163797 YCVDFGIPTBRAHU-YUAYGMJFSA-N 484.687 5.109 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccs3)CC2)c(Cl)c1 1825313541 KKFOINHNDGMULJ-HSZRJFAPSA-N 470.038 5.139 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)nc2F)CC1 1825370023 GMKSLBSUGBVSKI-LJQANCHMSA-N 494.449 5.209 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827336803 NKBJEUQFMFDRBH-GJZUVCINSA-N 490.648 5.091 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#Cc3ccccc3)CC2)oc2ccccc12 1828125447 ZOKZGJQWLMXVQZ-RUZDIDTESA-N 454.570 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc3ncccc23)CC1 1828821712 QGOWORJVHCLTIL-SQHAQQRYSA-N 459.634 5.165 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1828827179 JDVRPPRKPAFKSU-DENIHFKCSA-N 492.582 5.504 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1 1828827313 KWWSVXYHSJZXMG-PKTZIBPZSA-N 460.565 5.290 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccn2)CC1)c1ccccc1 1829031633 CPJISROJVULPPC-AHWVRZQESA-N 478.036 5.166 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1)c1ccccc1 1829035056 KGVMZJHHGVFTOJ-OFSOJUDTSA-N 493.651 5.665 30 20 JKED Cn1ccc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)c21 1829689933 DPEMETSUBXSQIL-DEOSSOPVSA-N 489.019 5.250 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829900364 HWPSLBUYZUMDJK-OAQYLSRUSA-N 467.437 5.210 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)CC1 1830097449 UFUGVDWJFMVARB-DEOSSOPVSA-N 474.668 5.249 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c(C)c1 1830694691 ZPEXVDKYQMNDFT-HHHXNRCGSA-N 487.644 5.050 30 20 JKED C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1830725009 XFKKVVBAPSUCEZ-FNZWTVRRSA-N 478.036 5.639 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1830768418 UILMPTFQSZIAKC-NDEPHWFRSA-N 482.628 5.214 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3OC(F)(F)F)CC2)CCC1 1830805851 JJCIWVMXVKQWEB-IBGZPJMESA-N 497.945 5.166 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831240188 VIPSGFUPCIFFEU-JPYJTQIMSA-N 496.479 5.347 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3F)CC2)c1 1831570009 QTBFVNRMWSMAQX-BCHFMIIMSA-N 479.571 5.068 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)ccc1Br 1832477179 RWUXXWMPHXYBQJ-HSZRJFAPSA-N 498.465 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccsc3)CC2)c1 1832633286 APSJLIMSWNMMFE-JBGVHOKCSA-N 461.631 5.322 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc(F)c3F)CC2)c1 1832634710 UGKZHSYFUILQGF-CLOONOSVSA-N 479.571 5.068 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCCCC3)CC2)cc1C#N 1832701801 RPLCEJVTMPQKCO-RUZDIDTESA-N 465.638 5.159 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832711531 ZWIDEAVZUQIRMA-IIBYNOLFSA-N 454.508 5.290 30 20 JKED Cc1scc(C(=O)N2CCC(OC3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)CC2)c1C 1837575004 QGDWIDQIHBAWDM-UHFFFAOYSA-N 488.770 5.028 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1838711673 HOVRQJPPVAZAML-UHFFFAOYSA-N 466.647 5.016 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1838749794 IXHILKYBHGDCQL-QFIPXVFZSA-N 460.618 5.178 30 20 JKED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CCC[C@H]4CCCC[C@H]42)C3)cc(C(F)(F)F)c1 1845513496 SWXZGXAHZGMNAM-STZQEDGTSA-N 473.539 5.001 30 20 JKED COc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2ccccc2Cl)cc1 8752446 PWRUDEQYTIMLKZ-UHFFFAOYSA-N 481.990 5.260 30 20 JKED N#CC1(NC(=O)COC(=O)Cc2csc(-c3cccc(Oc4ccccc4)c3)n2)CCCCC1 10418991 QLVAWTHOZGCSIW-UHFFFAOYSA-N 475.570 5.031 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1ccc(F)c(Cl)c1 10758217 SUJYKHBTTWIPHA-UHFFFAOYSA-O 471.961 5.151 30 20 JKED Cc1nc(COc2ccccc2C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cs1 11007437 DVNVUJAAAKQLKG-UHFFFAOYSA-N 492.601 5.231 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1ccc(-c2ccccc2)cc1 11125487 PGIAKABYGHUPDT-UHFFFAOYSA-O 475.593 6.551 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 11162826 BFMWSFXJMXOLMC-UHFFFAOYSA-O 479.669 6.849 30 20 JKED COc1ccc(Br)cc1-c1nc(COC(=O)/C=C/c2ccccc2C#N)cs1 11252103 QBAKBNLRDACNTQ-RMKNXTFCSA-N 455.333 5.209 30 20 JKED CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(Cl)cc1Cl 15595009 GJQLSUIYLNCMBE-LLVKDONJSA-N 474.797 5.238 30 20 JKED C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16753351 KRZKAWQQYMBXPN-ZDUSSCGKSA-N 463.588 5.539 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)nnc1-c1cccc(C)c1 20067893 OYPFBSNBAMOFSV-UHFFFAOYSA-N 486.601 5.102 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2scc(-c3cccs3)c2c1=O 21245133 YPYSLQDEMJSYCC-UHFFFAOYSA-N 498.680 5.553 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 21341987 QAPMVXNWZHXODC-HNNXBMFYSA-N 461.418 5.750 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 22729502 JBGDUCWAEFGESM-UHFFFAOYSA-O 453.578 6.218 30 20 JKED Cc1ccc(Sc2ncccc2C(=O)OCC(=O)Nc2ccccc2SCC#N)cc1C 22859478 DSCWIHKCPKPLSD-UHFFFAOYSA-N 463.584 5.261 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(CC)CC)cc2)cc1 23604319 PMRWGQVNIUWDCS-UHFFFAOYSA-O 464.655 6.272 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccc(OC)cc1 23998168 ZKXTWOOAJSSZOX-RTBURBONSA-N 472.614 5.651 30 20 JKED Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)c(Cl)c1 25558030 WGSGQZUCDDWEFV-OAHLLOKOSA-N 479.993 5.177 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(NCc2ccccc2)s1)c1nc(-c2ccccc2)cs1 26016979 CSNBIPAGHYITNG-KRWDZBQOSA-N 463.613 5.242 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1Cl 26954883 JFPMWVDIDHAILD-UHFFFAOYSA-N 467.418 5.391 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccco1 28503758 NWODYGJHRUGYQB-QHCPKHFHSA-N 462.550 5.203 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)c1cccc2ccccc12 31203197 OUOJZVXKWRFQNY-OAHLLOKOSA-N 453.336 5.129 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2ccc(C(C)(C)C)cc2)c1 33748805 XMSCHTLIUGGLCT-UHFFFAOYSA-O 486.488 7.246 30 20 JKED N#CCCN(C(=O)CCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1ccccc1 110944339 XJHLWVBQQFCKHD-QGLYCJJASA-N 463.581 5.127 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 195609931 UBXNARHHBKKJQP-UHFFFAOYSA-N 452.583 5.747 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 231458143 YADXSZFKPNQKOP-UHFFFAOYSA-N 451.729 5.955 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 302948157 DDSBLAROTASZLQ-UHFFFAOYSA-N 481.596 5.145 30 20 JKED CC1CCN(Cc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2)CC1 302967053 CPDSEWLTHCBIAC-UHFFFAOYSA-N 498.652 5.773 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C 303215862 SQDVTFWHPUUDRI-UHFFFAOYSA-N 456.933 5.846 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1nc(-c2ccccc2)cs1 410149262 VHOGEWGAIHRYLP-VWLOTQADSA-N 481.577 5.585 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(C(=O)c4ccccc4O)CC3)cc2Cl)cc1 436532185 VQFTZYQGRCVRFP-UHFFFAOYSA-N 490.947 5.136 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 489223744 GOPIXFZDZREFNT-XMMPIXPASA-N 483.385 5.154 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 498319553 OBTSRMPMNMJKTA-UHFFFAOYSA-N 486.427 5.508 30 20 JKED Cc1cc(Sc2nnc(CN3CCCC3)n2Cc2ccccc2)n2c(nc3ccccc32)c1C#N 502093476 SQXVXUPLPRQDJA-UHFFFAOYSA-N 479.613 5.054 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 502681072 PRZKRMMMKNVQEZ-HDICACEKSA-N 490.417 5.418 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nc2ccccc2c1=O 502727676 SAWCDHYTQUHIHJ-SFHVURJKSA-N 488.638 5.389 30 20 JKED Cc1sc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)c(C#N)c1C 503142998 SKYWHQXKNKZDKP-UHFFFAOYSA-N 493.820 5.761 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)c2)c1 509278974 KLIPMQBQGWWHKU-UHFFFAOYSA-N 459.933 5.151 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 509572644 PFSNDTUZKCRUMY-UHFFFAOYSA-N 497.555 5.362 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)cs1 511358594 BOMPNQLTYWSDJJ-IBGZPJMESA-N 482.609 6.646 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)CC1 512612587 HGFHMYJQZAJMNK-RUZDIDTESA-N 494.595 5.903 30 20 JKED CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 513998465 CESYVUDIXSVLNL-UHFFFAOYSA-N 492.417 6.537 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 514571063 NXGZXTPVVDMMBU-UHFFFAOYSA-N 490.401 5.553 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2C)nnc1-c1ccc(Cl)cc1Cl 515507724 PUFBJBRDIANJAI-UHFFFAOYSA-N 477.417 5.876 30 20 JKED CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 516091122 QPTUQXYTNBDOGY-UHFFFAOYSA-N 463.921 5.046 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-n4nccc4-c4ccccc4)c3)n2)cc1 516349185 GMPYUQMBOQEMJK-XMMPIXPASA-N 471.545 6.025 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(I)c3)n2)cc1 516713845 KTYGAJDTFDZOFI-AWEZNQCLSA-N 489.725 5.430 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 517122074 PRRPSLIOHVVYCG-AREMUKBSSA-N 457.530 5.572 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1 517733533 WCAHTCVBVDIICI-KRWDZBQOSA-N 496.658 5.088 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1C 517852310 JDPIEVPMRYRKNA-GOSISDBHSA-N 487.604 6.143 30 20 JKED C=CCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nc2c(s1)CCCC2 518174588 IIIGUYGHYFDOST-UHFFFAOYSA-N 473.392 5.789 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1NC(=O)c1ccccc1 521259250 MCMGFBYYSZWHME-GOSISDBHSA-N 473.504 6.139 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1Cl 521513197 IQSVYJGYLUVKRT-AOYPEHQESA-N 471.988 5.982 30 20 JKED CCOc1ccccc1[C@H](CC)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 522521867 XTTUQHYZBVLYOB-UPVQGACJSA-N 475.976 5.600 30 20 JKED COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N(C)CCC#N)cc(OC)c1OC 522780808 DNZMMACFQMMMQL-XDJHFCHBSA-N 471.557 5.123 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1ccc2ncccc2c1 596533613 USSHTNINKNLNOW-INIZCTEOSA-N 478.459 5.243 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c2C#N)C1 602756567 VFHZXTABMWDMJJ-LBPRGKRZSA-N 482.959 5.667 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 603739855 NGGPADIIJVIWDV-UHFFFAOYSA-N 487.516 5.083 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 603764630 KTEKCQXKQUKXDO-UHFFFAOYSA-N 468.307 5.168 30 20 JKED N#Cc1c(SCC(=O)NCc2cccc(OCC(F)(F)F)c2)nc2c(c1-c1ccco1)CCC2 603904705 QHBVJJAGNNNEND-UHFFFAOYSA-N 487.503 5.052 30 20 JKED CCOc1ccccc1[C@@H](CC)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 603908575 ZYJOBHOWSZOAMU-HSZRJFAPSA-N 498.608 5.016 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1OCc1cccnc1 604103049 QXFBYKFXOUWFHY-UHFFFAOYSA-N 480.524 5.679 30 20 JKED CCOc1ccccc1[C@H](CC)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 608796928 DMBJHPZCPXRMMZ-QHCPKHFHSA-N 457.530 5.264 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)cn2)c1 608840804 CUUSYRHZVCLLDP-IBGZPJMESA-N 484.491 5.346 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)CC2)nc1 608951302 GMWURSZPNVTICC-UHFFFAOYSA-N 465.793 5.527 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 608995207 CDNOUIPIROQIPH-VWLOTQADSA-N 486.959 5.984 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3)cc2Cl)c1 609062863 IGPCYUGRSUBCNT-QHCPKHFHSA-N 459.933 5.034 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc2Cl)c1 609079698 IVQLRXGSXAXIHM-XMMPIXPASA-N 483.902 5.674 30 20 JKED Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)c2cc3ccccc3n2CC#N)cc1 609164602 XARXQONDNANIOS-UHFFFAOYSA-N 480.568 5.201 30 20 JKED CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609377692 CKENIXSDSMEMGU-AWEZNQCLSA-N 485.553 5.040 30 20 JKED N#Cc1ccccc1COc1cccc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 609432731 NKJGFTOWDSVEFY-UHFFFAOYSA-N 466.507 5.310 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(C)cc2)cc1 609438288 AZJKDVWUTCHSHS-UQBPGWFLSA-N 473.598 5.242 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(F)cc2)cc1 609438748 RMUCNOCLFXSZIS-XDHUDOTRSA-N 477.561 5.073 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 609439035 TZMMWCBCZMHPAS-QHCPKHFHSA-N 499.684 5.725 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612804801 XGMANOMISLDYTB-RYUDHWBXSA-N 450.345 5.756 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1cccc(C(F)(F)F)c1 613392018 GXYDKXIPFZXMFK-GOSISDBHSA-N 452.461 5.813 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 613403493 DLZHFEIWIWIFGV-CYBMUJFWSA-N 498.383 6.149 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)o1 613403909 IENHATFTZVQYOL-ZDUSSCGKSA-N 462.478 5.424 30 20 JKED C=CCOc1c(Br)cc(CNC[C@H]2CCCO[C@H]2c2ccccc2)cc1OCC 620120431 GDCMBMIKHMWGFT-OFNKIYASSA-N 460.412 5.670 30 20 JKED CCn1cc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(C(F)(F)F)n1 622517418 IIFVTRRABBIBDW-AWEZNQCLSA-N 489.338 5.173 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642156683 ACBYDEMRBOLFFG-IMRBUKKESA-N 484.437 5.809 30 20 JKED CC(=O)Nc1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 650393452 SQGBWIFCWWACAU-UHFFFAOYSA-N 488.306 5.719 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cscn2)cc1 726416467 WPZDVXSPGFMUNV-OAQYLSRUSA-N 480.615 5.091 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1NC(C)=O 726430070 XCNSVIJXTOANEP-WDZFZDKYSA-N 476.485 5.046 30 20 JKED Cc1ccc(C)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1 726570630 HNYLXDGDLLSCGD-UHFFFAOYSA-O 475.037 6.318 30 20 JKED O=[N+]([O-])c1cc(C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)ccc1N1CCCC1 726594960 SEOVQDTWYCGWJE-UHFFFAOYSA-N 462.293 5.103 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCN1c2ccccc2Sc2ccccc21 726755532 PWPCBLMWGZPEKD-UHFFFAOYSA-N 450.567 5.815 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 726755996 RXDWRYYZTMWHCT-LJQANCHMSA-N 470.602 5.144 30 20 JKED CC(=O)N(c1nc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)cs1)c1ccc(F)cc1F 727780055 FUQZCEROJSYPOE-WCIBSUBMSA-N 493.304 5.830 30 20 JKED CC(C)(C)OC(=O)N1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 728122014 TVPPIEZWLVDXDC-UHFFFAOYSA-N 484.984 5.265 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 729189120 WBWGSPRSWMHGFD-QHCPKHFHSA-N 469.541 5.312 30 20 JKED COCCOc1cccc(F)c1C(=O)/C=C\c1csc(N(C(C)=O)c2ccc(F)cc2F)n1 729240123 BKVNKSHCXIKHDB-CLFYSBASSA-N 476.476 5.166 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(Cc2ncccc2C)C1=O 729634508 NGTCYQXEMFPRPL-XMMPIXPASA-N 488.613 5.176 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c(C)c1 730443530 FTTIODBLRITRJA-HSZRJFAPSA-N 494.592 5.250 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(C3CCC3)C2=O)cc1Cl 730460585 BSOATHMKAIESPY-LJQANCHMSA-N 479.936 5.140 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(Cc3cocn3)C2=O)cc1 730710959 VXHZSIPEOYKKOG-LJQANCHMSA-N 488.491 5.162 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2cocn2)C1=O 730714052 WTVHLJYCSFBRRX-NRFANRHFSA-N 498.992 5.114 30 20 JKED N#Cc1ccc(C(=O)N(Cc2cccs2)c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)nc1 730741277 JVCKCSUGKNYJGG-UHFFFAOYSA-N 493.636 5.184 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOCC2CC2)c1 730944410 ADZIRMPFYMKDQN-QHCPKHFHSA-N 483.609 5.138 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 731077776 KBVRFTBZYHJPTH-LJQANCHMSA-N 487.581 5.153 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)cc1 731307615 IQBNRGREQRLECP-HOYKHHGWSA-N 488.613 5.632 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 746416877 RAZNKPDCCPSBEE-IBGZPJMESA-N 463.946 5.936 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)ccc1S(=O)(=O)C(F)F 747066847 PXTZDHIEJIDLCM-XBXARRHUSA-N 452.422 5.200 30 20 JKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc(-c2c(F)cccc2F)cs1 747114248 GOARBRBUQHSWEE-ZDUSSCGKSA-N 473.551 5.914 30 20 JKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2c(F)cccc2Cl)CC3)cn1 747433518 DZEUGQAYVYFHHB-QINSGFPZSA-N 457.896 5.486 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(Cl)cc2)n1 748036548 PCQJFUGHFMAACK-HXUWFJFHSA-N 498.967 5.043 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 750705415 KJDHRNDJAANJHP-UHFFFAOYSA-N 470.529 5.198 30 20 JKED N#Cc1c(CCCNC(=S)Nc2ccccc2-c2ccccc2)nn(-c2ccc(F)cc2)c1N 750992284 IBLRCXJOFXBOAH-UHFFFAOYSA-N 470.577 5.051 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@H](C)c2cccnc2)c1 837381476 JWQWIMQFZPTXSF-VGSWGCGISA-N 489.557 5.020 30 20 JKED CC(C)N1CC[C@H](C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)[C@H](c2cnn(C)c2)C1 849599913 DJQUASONBDZCJW-ZEQRLZLVSA-N 494.064 5.549 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccccc3OCc3ccccc3)no2)CC1 904463977 NBLRZTZCUULWHF-UHFFFAOYSA-N 493.523 5.819 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(COc3ccc(C#N)c(Br)c3)n2)c1 904635887 SBOPZXTZLSSFSI-UHFFFAOYSA-N 471.311 5.297 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3ccc(Br)cc3)no2)nnc1-c1ccco1 904715400 DFOULPNFTSPVSX-UHFFFAOYSA-N 458.341 5.219 30 20 JKED C=CCn1c(SCC(=O)Nc2n[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1Cl 914532087 ZBJZAAGWVRILPM-UHFFFAOYSA-N 459.362 5.045 30 20 JKED CC(C)c1nn(-c2ccccc2)c(Cl)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 914555431 QBJPWVPFWZCLOF-UHFFFAOYSA-N 471.417 6.069 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694542 NKKBZIRCJDMBOT-KSFYIVLOSA-N 481.549 5.019 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc(F)c2)C1=O)Nc1ccccc1F 914772612 GYKUMQTZVDPRLA-NRFANRHFSA-N 469.488 5.264 30 20 JKED N#CCCn1cc(C=NNc2nnc(-c3ccccc3)n2-c2ccccc2)c(-c2ccccc2)n1 915051762 QKEWUKGGKVZDHA-UHFFFAOYSA-N 458.529 5.157 30 20 JKED N#C[C@@H](C(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102814 ICZGMQGUWCHRQJ-PBHICJAKSA-N 470.381 5.884 30 20 JKED CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc(OCC#N)c2)c2c[nH]c3ccccc23)cc1 915710703 XYTFCBHOTMBPRY-XMMPIXPASA-N 453.546 5.090 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916211016 KUGNZBONOXIWKC-IBGZPJMESA-N 472.954 5.151 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OCC)cc1 916213377 BTMHORTVKOIJSO-LJQANCHMSA-N 479.524 5.474 30 20 JKED N#CCOc1cccc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 916410100 XNVDUILCMYNDNA-UHFFFAOYSA-N 462.512 5.510 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)COC(c1ccccc1)c1ccccc1 916903433 SOQOGCRTZFFYRL-HXUWFJFHSA-N 462.933 5.111 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1 916942531 LXMVYMKRXWRLBC-GOSISDBHSA-N 452.919 5.206 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nc(-c2ccccc2)cs1 917026639 JYXQTEGZRZYENH-MJGOQNOKSA-N 469.488 5.054 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1Sc1nn2cc(-c3ccccc3)nc2s1 917030254 FGQDSJNGRRYFQX-UHFFFAOYSA-N 464.551 5.105 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccc(OC)cc2OC)ccc1OCc1ccccc1 917030522 XEKCVDWKGRJDFA-UHFFFAOYSA-N 490.585 5.111 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C(=C\c1ccc(F)cc1)c1cccs1 917507266 SWBUOSCNHUDFAG-XLXASQRYSA-N 464.518 5.141 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917680924 INBDVRJUVJNGJI-VABKMULXSA-N 497.064 5.236 30 20 JKED CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1=O 918710722 AGEGIYGCPBNTPV-NRFANRHFSA-N 458.465 5.020 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(N3CCOC3=O)c2)cc1Cl 919652912 GRYDHGMPFTXQGM-JOCHJYFZSA-N 460.921 5.274 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(F)(F)F)c2)s1 920171294 SKGYNOCZDRNTRS-UGSOOPFHSA-N 481.565 5.437 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2)no1 920357159 WBBUMDIGZIEHQM-HSZRJFAPSA-N 470.554 5.297 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCOCC(F)(F)F)C2=O)cc1 932788126 JBVIJELEPIYSLG-GOSISDBHSA-N 499.942 5.188 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1786366216 SGJQNMXQZYFKRQ-UHFFFAOYSA-N 469.585 5.479 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccs3)CCC2)cc1 1786545133 SEKKDMWAVGWLKC-QFIPXVFZSA-N 497.661 5.284 30 20 JKED Cc1cccnc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1786797130 ABSARKUEFJIURR-OAQYLSRUSA-N 466.585 5.398 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)s4)CCC3)cc2)c(O)n1 1787172867 BSHJHVOYYUVELL-UHFFFAOYSA-N 482.993 5.077 30 20 JKED COc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)c1 1787758362 XXAOMCQJHVZQEG-UHFFFAOYSA-N 497.595 5.344 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccco4)CCC3)cc2)c(C(F)(F)F)n1 1788356458 LXTWLCNNVWICFP-PKNBQFBNSA-N 480.446 5.026 30 20 JKED COc1cc(F)ccc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788648606 OKDFQCPLHHFYAZ-VAWYXSNFSA-N 478.545 5.083 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(-c5nccs5)noc4c3)cc2)CCC1 1789223853 ALIREYPZXQVPCG-UHFFFAOYSA-N 470.554 5.112 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)o3)CCC2)cc1 1790469899 VUIKTVJSRVBQHY-QFIPXVFZSA-N 493.604 5.033 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1790511078 NWGRASBPIPDSCY-UHFFFAOYSA-N 483.568 5.006 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ncc(Cl)cc4Cl)CCC3)cc2)cc1 1790705444 YBGRRFOVMMFHSY-UHFFFAOYSA-N 479.367 5.516 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C45CC(C(F)(F)F)(C4)C5)CCC3)cc2)c1 1790761775 AEFDSZXZDPWVKE-UHFFFAOYSA-N 471.454 5.178 30 20 JKED C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1)Oc1ccccc1 1791145048 AUODPYRPPDMFEH-LJQANCHMSA-N 493.567 5.040 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)CCC2)cc1 1791589159 LKYXKZKXGQOBPC-QFIPXVFZSA-N 469.626 5.170 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccccn4)CCC3)cc2)cc1C#N 1792169614 SHHDBLDMDSKPFS-UHFFFAOYSA-N 482.584 5.121 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792169658 UUGDBGZWVKITOQ-UHFFFAOYSA-N 475.589 5.076 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c3ccccc3n3ccsc23)c(Cl)c1 1799131102 LJXOVGXXHSOPKA-BCDXTJNWSA-N 489.000 5.245 30 20 JKED Cc1c(Cl)ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)c1Cl 1799307021 IFPZZEMKFOPHAY-MUJYYYPQSA-N 476.791 5.393 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F 1800704436 JGNHUBAXKZGJPO-ACDBMABISA-N 487.616 5.417 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1 1802489958 CLJYEWBSVSYXJW-OFNKIYASSA-N 450.627 5.019 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)N(CC(C)C)CC(C)C)C2 1802631327 SGKSUAWRQXUBKT-LLNGEMMXSA-N 479.709 5.174 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cccnc4SCc4ccccc4)CC3)C2)C1 1804779350 FKHWDUMDIIVQCN-UHFFFAOYSA-N 475.658 5.185 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3cc(F)ccc3Br)C2)CC1 1806570067 QXRDXZGDENEPPC-OAQYLSRUSA-N 491.445 5.130 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1809673650 SNYXFMYIWLXMMN-WMZHIEFXSA-N 498.961 5.123 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H]3CNc4ccccc4C3)C2)CC1 1809839132 JQHHFTYXPLFILU-QHCPKHFHSA-N 465.682 5.275 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1810175548 LGZVZUZMHYMBSA-BKULYWANSA-N 451.998 5.131 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1810446982 IQQBNIFAXNFBRJ-HBMYTODVSA-N 491.635 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1811716734 RFZSJVHLHPESDI-GCJKJVERSA-N 474.432 5.700 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812223042 QPKITVOICGQUTK-GJZUVCINSA-N 459.615 5.118 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)CC1 1814739198 OSUGMNNMUGYMQA-DEOSSOPVSA-N 475.637 5.513 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2ccc3c(F)cccc32)n[nH]1 1814831288 WUKAMHDRYHYAJO-QFIPXVFZSA-N 465.573 5.188 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815214455 HGCVUQUHSCNKRY-UZLBHIALSA-N 482.968 5.220 30 20 JKED O=C(C#Cc1ccccc1)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1816958179 OJNGZSZZTSEZJT-QHCPKHFHSA-N 493.592 5.235 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccn3c2)n[nH]1)c1ccccc1 1817820331 HZDKDNSJSSOGDS-GGAORHGYSA-N 485.613 5.227 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818454803 SWWGFLVOLREQDU-AFMDSPMNSA-N 477.568 5.810 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1819385497 WPHSGPUJGPLKEA-OAQYLSRUSA-N 493.709 5.376 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCOc2ccc(F)cc2)[nH]n1 1819552692 XJHOTMBJRBYRRX-NRFANRHFSA-N 456.562 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)[nH]n1 1819555379 DDBYHPOVYGXSSP-QFIPXVFZSA-N 460.582 5.098 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1Cl 1820219116 KKZZTZDZAWNBQG-LEQVUBRHSA-N 499.958 5.700 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(-c3cnco3)c2)n[nH]1 1821186270 PZFRAZYDCDGCKN-IRLDBZIGSA-N 459.550 5.139 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)[nH]n2)c1 1821325128 BYRRBTIKCLLVNN-JOCHJYFZSA-N 486.963 5.344 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc3ccc(Br)cc23)[nH]n1 1821925765 ZGSYKZTVFGOGJB-QVKFZJNVSA-N 496.409 5.239 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1)C(F)(F)F 1821992209 KNSRFGYYXVROAB-LJQANCHMSA-N 491.901 5.344 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)ccc2s1 1823215027 LUOSPFSZJLTWRE-QMHKHESXSA-N 498.612 5.575 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ncccc3C(F)(F)F)[nH]n2)c1 1823217491 LDNIHCQRQFHMRT-MGPUTAFESA-N 496.493 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823293095 YUHWSXQLNLZMLP-FYYLOGMGSA-N 475.593 5.143 30 20 JKED Cc1cc(F)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1823317726 KHDYFVKZHLHDQH-HSZRJFAPSA-N 489.551 5.136 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1824141959 AXNKTSASDYIENY-HSZRJFAPSA-N 469.029 5.218 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1824500154 UZXUHFPMEHFSCT-OAQYLSRUSA-N 489.081 5.771 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1824532690 GEMODRNMSRVULS-YADHBBJMSA-N 462.059 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)CC2)c1 1824634407 VZGYROGKLLFONE-GCJKJVERSA-N 459.581 5.228 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1)c1ccccc1 1825877439 DJJFBDZSPOGBPM-VPUSJEBWSA-N 460.618 5.327 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1 1826002903 ZSIUJKNRGNGRKP-MBSDFSHPSA-N 498.549 5.275 30 20 JKED C=CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)CC2 1826056311 OJHGRUAHFGQMKB-HNNXBMFYSA-N 462.600 5.155 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1827790586 HBNRMWPFVJYKKJ-NDEPHWFRSA-N 492.623 5.096 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828420910 DNFLNPDQCSBMBW-RDGATRHJSA-N 498.706 5.575 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)c(F)c2)CC1 1828825045 RULCJWNQXDAEDK-ZJSXRUAMSA-N 461.021 5.410 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccco2)CC1)c1ccccc1 1829031295 XREUKGSLHHUASF-KAYWLYCHSA-N 460.618 5.029 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1Cl 1829140258 XBBYEQITZAGKIL-IBGZPJMESA-N 492.929 5.106 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829575927 BUUPVGDOWHSUEO-DVECYGJZSA-N 491.657 5.274 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=Cc3ccccc3NC(=O)C2)CC1 1829581308 GFBHTTGPWRMRFD-VWLOTQADSA-N 477.649 5.024 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)c1 1829956417 HNBFBWDZDBXAOQ-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830052340 SQYKZSQKCYGVPH-GOTSBHOMSA-N 462.556 5.707 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830633540 NIRVDWTZVIOKHH-XRQNQOHASA-N 485.628 5.098 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)c1 1830687417 VCSRFRGTBCYYBL-XMMPIXPASA-N 494.433 5.176 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059174 FVHOZHIDSHRVMU-NLFFAJNJSA-N 458.602 6.032 30 20 JKED C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)CC1 1831325016 NYRIURGNUPQYRJ-HVKFLMNHSA-N 489.635 5.291 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1)c1ccc(O)cc1 1831925475 FAVNPYIOEPRABK-AJTFRIOCSA-N 494.582 5.101 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)CC1 1832830540 UZCFKICHKRXOPQ-HHHXNRCGSA-N 460.593 5.063 30 20 JKED C=CCNC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1CC=C 9397813 QTQOHCMMPCOGSJ-UHFFFAOYSA-N 455.587 5.049 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2)nc2scc(-c3cccs3)c2c1=O 9964555 ZKJBIXPUGFMSPN-UHFFFAOYSA-N 467.641 5.123 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Br)cc2)nnc1-c1cccc(C)c1 10241312 JPPDPIFSLRLOBD-MRXNPFEDSA-N 471.424 5.172 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)c3ccccn3)c2C#N)C(C)(C)C1 11026920 DCNBSHAURGBUOY-BQYQJAHWSA-N 489.622 5.958 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)cc1 11114518 RZFQYMOKOVIJAE-UHFFFAOYSA-O 459.563 5.608 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)n(C2CCCC2)c1C 11169697 LTNHQHDYGLSDNH-UHFFFAOYSA-N 497.020 5.593 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2scc(-c3cccs3)c2c1=O 11382981 UXFSSLSDLFXKHH-UHFFFAOYSA-N 496.639 5.062 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)n(C2CCCC2)c1C 13296712 CNHIUSUHJISZOB-UHFFFAOYSA-N 489.580 5.091 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cccc(Br)c2)cc1 15247637 VRFVSNXAWUPNDH-UHFFFAOYSA-O 499.410 5.648 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC)cc2)nnc1-c1ccc(Cl)cc1Cl 16833032 DTLPJFRBUFYJMY-UHFFFAOYSA-N 465.431 5.891 30 20 JKED CCc1ccccc1-n1c(SCC(=O)Nc2ccccc2SCC#N)nc2ccccc2c1=O 18812068 DOKVCFWSXSVEMN-UHFFFAOYSA-N 486.622 5.295 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1 20409501 GKVFMHQKMAWVKU-INIZCTEOSA-N 456.999 5.153 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 21174703 XEUSDEBDYVUZCW-UHFFFAOYSA-N 475.574 5.420 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccc(Br)cc1 21927685 IQCHNVNQNZQDRB-OAHLLOKOSA-N 457.397 5.037 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3cccs3)n2)n(-c2ccc(F)cc2)c1C 26276826 ARBJYXUBENUUPV-UHFFFAOYSA-N 480.546 5.085 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(C)c2)c1C 28695764 FNCGOIWDTYBZAN-UHFFFAOYSA-O 456.591 5.634 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 30180752 NEFLTAVQXKGIKR-UHFFFAOYSA-N 496.080 5.073 30 20 JKED C[C@H](Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 32875842 JGADIGNUFYWQPJ-VXKWHMMOSA-N 488.661 5.242 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 43804678 USUNHOYRSVCONB-KRWDZBQOSA-N 468.966 5.029 30 20 JKED FC(F)Oc1ccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c(OC(F)F)c1 97543740 PYRYVQDRDVNILK-UHFFFAOYSA-N 451.298 5.570 30 20 JKED O=C(NCCc1ccc(OC(F)F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 139307475 HCFDAQPNUGHLGX-UHFFFAOYSA-N 493.354 5.484 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1-c1cccnc1 302694653 FKQZIDVOEZRFQV-OAQYLSRUSA-N 495.530 6.017 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 303369088 RZAUCSMRFSAENL-GOSISDBHSA-N 469.566 6.261 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 409772221 AVKHVXUIZRSVLA-UHFFFAOYSA-N 487.162 6.003 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 481585864 OADOAKPMBBFXIF-UHFFFAOYSA-N 469.467 5.328 30 20 JKED C[C@@H](c1ccc(Cl)cc1)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 489040532 UYASHTIQAJFFGL-INIZCTEOSA-N 464.953 5.428 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1 501905796 LQHXGDXINTVCHB-UHFFFAOYSA-N 469.541 6.107 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1 502926747 TUXOIMPLPRKIKT-UHFFFAOYSA-N 482.515 5.980 30 20 JKED COC(=O)c1cccc(Cc2cnc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)s2)c1 505269137 SIPUURCOMLTGDF-UHFFFAOYSA-N 499.617 5.937 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)N(C)C)c1 510023828 PEOSQMVVWSMJQD-ZCYQVOJMSA-N 462.981 5.428 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCc2ccc(C#N)cc2)nnc1-c1cccs1 510366523 GQZYLANCLFFRBM-FIRPJDEBSA-N 477.659 5.284 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N2CCCC2)cc1 511421276 KJORXIKNGSKIIL-MUUNZHRXSA-N 484.600 5.299 30 20 JKED Cc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(OCc2ccccc2)c1 511531059 JSLODXYXDQIIQM-UHFFFAOYSA-N 454.574 5.186 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)N(C)C 513632111 NDSBXHRECLPBIS-HSZRJFAPSA-N 491.463 5.130 30 20 JKED Cn1c([C@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)nc2ccccc21 513687304 PYTHLXWXEAUHPG-LJQANCHMSA-N 473.330 5.078 30 20 JKED CC(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C(F)(F)F)c1 515216273 HUEKUUZIEGVJLB-UHFFFAOYSA-N 453.420 5.367 30 20 JKED C=CCN(C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516460511 DEELDJNEPFWGCB-SFHVURJKSA-N 498.670 5.498 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)n1 516795633 RCVDOTGXQPUCDI-CYBMUJFWSA-N 470.963 5.172 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 517808729 SSOSMSREBJOSGN-UHFFFAOYSA-N 470.960 5.162 30 20 JKED Cc1c(Br)cccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 517905888 PDAXFPWUHLSLDT-UHFFFAOYSA-N 452.327 6.003 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 518239916 OIRKHBAOJZCKJL-HNNXBMFYSA-N 463.563 5.781 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 519432979 KLOJLPGFQTVQJZ-GFCCVEGCSA-N 465.888 5.444 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccnc1Oc1ccc(F)cc1Br 519876948 MTMQEDHIEONWMI-UHFFFAOYSA-N 466.310 5.476 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 520141467 LRRDCJNYVWZNLZ-UHFFFAOYSA-N 453.468 5.110 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)ccc1Oc1ccc(Cl)cc1Cl 520143608 OLJQPTBUJXPOCK-UHFFFAOYSA-N 454.313 5.221 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 520183916 UPNZZAAQVHKCCL-GOSISDBHSA-N 467.491 6.575 30 20 JKED CCOCCOc1c(Cl)cccc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 521106904 KZBMMWUTLFBNMZ-OAHLLOKOSA-N 462.015 5.396 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 521195276 SCEWBZUTMRXGMJ-ROUUACIJSA-N 485.987 5.036 30 20 JKED COC(=O)c1occc1CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H](C)c1ccccn1 523039343 ZLEVCYFAASMGNP-FQEVSTJZSA-N 495.535 5.315 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 524127800 MCUALZJLSJGFAK-UHFFFAOYSA-N 497.576 5.499 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 557541249 KYHCCCHTMUFLDT-LAUBAEHRSA-N 467.660 5.390 30 20 JKED C=CCn1c(SC[C@@H](O)COc2cccc(C(C)=O)c2)nc2sc(-c3ccccc3)cc2c1=O 588380761 XOALZFBJGADBTK-FQEVSTJZSA-N 492.622 5.046 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 593595358 JLSGEFIPWOXXLH-LBPRGKRZSA-N 482.365 5.874 30 20 JKED N#Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)sc2c1CCCC2 600840882 ATNRKRJTINUHAX-UHFFFAOYSA-N 461.930 5.205 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3oc(C(=O)OC)cc3c2)nnc1-c1ccc(Cl)cc1 603770746 GWNVYJJWNSBIRQ-UHFFFAOYSA-N 482.949 5.048 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3cc4ccccc4o3)cn2)cc1 604137548 JSOFIAUPBUIOOC-HHHXNRCGSA-N 488.503 5.336 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 604139828 YHSLIBIGUSYPOQ-JTHBVZDNSA-N 466.368 5.855 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC(F)F 604142541 QFVAMKCTULCNIL-RBBKRZOGSA-N 497.929 5.803 30 20 JKED CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCO[C@@H]1c1ccccc1 604520787 QAITYYXYGMFRCY-NBGIEHNGSA-N 451.636 5.317 30 20 JKED COc1cc(Cl)ccc1S(=O)(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 608928408 PXBXRVPNKPALQV-UHFFFAOYSA-N 487.912 5.087 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2Cl)c1 609062724 FQZCXFHUUKTACQ-UHFFFAOYSA-N 493.950 5.897 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(OCc5cccc(C#N)c5)cc4C)CC3)c2c1 609079133 LACCSZROZAKUTQ-UHFFFAOYSA-N 494.595 6.347 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cc2Cl)c1 609079547 GFDZRMICORUYTC-ATIYNZHBSA-N 475.976 6.080 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 609086881 GHRODZZLDQAEHQ-BVZFJXPGSA-N 483.568 5.292 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 609173787 XDNBIZQAMBOLHF-IQGLISFBSA-N 459.571 5.086 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCSc4ccc(Cl)cc43)cc2)c1 609436159 WLRIRUIYBMAPCJ-NRFANRHFSA-N 463.946 5.296 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc2cc(C(F)(F)F)ccc2s1 613403969 IKTIXOYXWHDBAI-SFHVURJKSA-N 497.498 5.734 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1nc2cc(C(F)(F)F)ccc2s1 613404406 LYTFFXIABXETGU-AWEZNQCLSA-N 470.451 5.619 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccc(Cl)cc1 617896492 SUHZVOHLNQENJW-CVEARBPZSA-N 466.994 5.889 30 20 JKED FC(F)Oc1ccc(Br)cc1CNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642198145 ZNZBEAAZUDJPDN-UWVGGRQHSA-N 470.198 6.050 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC(C)C)cc1 726415992 QFWGXYKJFAZCBN-AUSIDOKSSA-N 483.634 5.168 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCCC3)cc1 726570837 LXTGLQJVPNPWAA-UHFFFAOYSA-O 461.010 6.010 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)cn1 726890655 KTYORDQWZJGCQW-GOSISDBHSA-N 492.523 5.012 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2c(Cl)ccc(C)c2Cl)[n+]2ccccc2)C=C1 728557618 FQRSNVWEDHLRRP-UHFFFAOYSA-O 473.405 5.683 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 728686550 RHYMGWBMSPTJMF-SFHVURJKSA-N 495.645 5.335 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(C(C)(C)C)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697316 NMGHMOJFTRXCSH-LPZKUROFSA-N 469.585 5.419 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(CCCCC#N)C1=O 728779074 XJCMOJQZWBTHSE-OAQYLSRUSA-N 485.009 5.311 30 20 JKED CC(C)c1ccc([C@H](CNC(=O)Nc2cccc(OCC#N)c2)NC(=O)OC(C)(C)C)cc1 729037256 RMHPGKSTLJQJKQ-QFIPXVFZSA-N 452.555 5.100 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3scnc3C)C2=O)c1 729141956 GLJSYBDCYNGHQS-JOCHJYFZSA-N 492.670 5.846 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730460315 XLRICPSESUIHFM-SFHVURJKSA-N 499.917 6.011 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cocn3)C2=O)cc1Cl 730712686 HWAKZXSDCVYJJT-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1Cl 730715378 MUJPXUPEHWAKKY-SFTDATJTSA-N 492.004 5.086 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)c1c(Cl)cccc1Cl 731076455 FFGWOULAZBEISX-KBPBESRZSA-N 451.375 5.673 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@H]1C 731076867 CDKPDUOKIYFXKT-RBUKOAKNSA-N 489.597 5.278 30 20 JKED CC(C)CCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C#N)c(Cl)c1 731315390 DYBXCCUTCAVNET-NRFANRHFSA-N 485.009 5.314 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OCCCC(=O)O)cc2)cs1)c1ccc(F)cc1F 745999314 XLTJSRMIVGPDMU-YRNVUSSQSA-N 486.496 5.246 30 20 JKED O=C(Nc1ccc(F)c(N=Cc2ccccc2O)c1)c1ccccc1I 746682506 XHULTHBXFUQCOM-UHFFFAOYSA-N 460.246 5.139 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3cccc(C(C)C)c3)C2=O)cc1OCCCC#N 747472791 CJHLQNFHSTVPCS-HYARGMPZSA-N 452.601 5.907 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cs1 747614878 NSETWZPKPUTYTE-JYRVWZFOSA-N 477.977 5.575 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1OCc1cn2ccccc2n1 748579523 JDNRKPKXIQCCDE-UHFFFAOYSA-N 491.576 5.542 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(-c3cccc(Cl)c3)no2)n(C2CCCC2)c1C 748925682 OYGBNCUDPYWYRF-UHFFFAOYSA-N 466.925 5.196 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1ccccc1 750402056 XDYMCBSEDRXNAK-UTKZUKDTSA-N 498.637 5.880 30 20 JKED COc1ccc(/C=C2/N=C(SCc3ccc(C#N)cc3F)N(c3cccc(OC)c3)C2=O)cc1 808405321 BIMLQYAGZLCZIM-ZMOGYAJESA-N 473.529 5.392 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1[C@H](C)c1ccccn1 837301972 QUENJFZCLMAZBT-JPYJTQIMSA-N 493.032 6.073 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1F 837543316 SERNVZIQFRIATH-LJQANCHMSA-N 457.527 5.187 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)N[C@@H](C)c3ccc4ccccc4c3)nc(O)c2C#N)cc1 857991553 KTAPASVLHDNKFB-DLBZAZTESA-N 484.581 5.241 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccc(Cl)cc2)cc1 912822283 BBNZTFAXOWSMJJ-UHFFFAOYSA-O 481.041 6.056 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2ccccn2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102496 VCEXWWLDQQZILE-AWEZNQCLSA-N 470.341 5.371 30 20 JKED N#Cc1ccc(CSCC(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cc1 915812044 HBBHQWFGXQSHNL-UHFFFAOYSA-N 472.478 5.079 30 20 JKED Cc1cc(C=NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc(C)c1OCc1ccccn1 915955501 FLUHKUPSVATTBU-UHFFFAOYSA-N 490.563 5.107 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(F)c(Cl)c1 916204333 CKKJCMHNQVDLQG-HXUWFJFHSA-N 493.988 5.257 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=Nn2c(S)nnc2-c2ccccc2C)cs1 916341383 AJPISLXETMGGCT-UHFFFAOYSA-N 462.604 5.182 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)c2)cc1 916449570 GMBRBPKUVLCLRF-UHFFFAOYSA-N 473.920 5.232 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cs2)cc1 916847788 WDLSAHZTOJDPPI-SFHVURJKSA-N 490.610 5.039 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1OCC 916849209 UAPQGQUDWSHXPX-KRWDZBQOSA-N 453.336 5.214 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 916900811 TUKWNPFIDMIAKJ-INIZCTEOSA-N 499.951 5.380 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 916903439 SPDQCCNTJXDUJK-HYBUGGRVSA-N 486.959 5.312 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2cccc(Br)c2)o1 916919201 TZJYHLXOGTYHDL-OAQYLSRUSA-N 489.325 5.735 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 916924900 GKVRKEQLLFECME-IYPOZPNPSA-N 450.947 5.828 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 916929649 BZPCSJOSUDKUIB-SFHVURJKSA-N 461.499 5.024 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3cscn3)c(OC)c2)cc1 916955509 RDFLGCMDNDKOEF-IERDGZPVSA-N 463.559 5.205 30 20 JKED N#C[C@@H](C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996202 IBWBSJPYNULUES-HNNXBMFYSA-N 472.313 5.251 30 20 JKED Cc1ccccc1[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(N)=O 916997320 VLIRCEZAGZQEOZ-WMZOPIPTSA-N 473.385 5.401 30 20 JKED Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)n1 917047254 UYWXMEMMDWRPHR-MRXNPFEDSA-N 456.017 6.497 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)c1 917427265 ATJZNVYPABGTMR-NQIIRXRSSA-N 479.005 5.892 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCC(C)C)C1=O 917703908 DEZSKIAKPRIJSI-OAQYLSRUSA-N 485.009 5.227 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918486277 FPNJEGXCDIAJJF-AWEZNQCLSA-N 459.354 6.082 30 20 JKED Fc1ccccc1Nc1nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=S)s1 918736679 XGNKYSNUTCBLGP-NXEZZACHSA-N 460.444 5.577 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1C 918803382 KIVUDYICDCWXHJ-UHFFFAOYSA-N 494.547 5.489 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)O[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 919171813 DZYSOTUKPSWDLY-GFCCVEGCSA-N 485.751 5.256 30 20 JKED O=C(c1cc(-c2ccccc2)nc2cc(F)ccc12)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919757238 QDZRXSRRRITNAS-GASCZTMLSA-N 470.388 6.244 30 20 JKED COc1cc(/C=C2\COc3c(C)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 920066713 JNTHELDJXUIPSM-LDADJPATSA-N 463.917 5.333 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c(COc4ccccc4)nc4ccccc43)n2)cc1 920142081 SDYHGHJQRSJJJB-JOCHJYFZSA-N 489.560 5.487 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N([C@H]2CCc3c(Cl)cccc32)C1=O 920169370 SCOIKKANXJJLFO-VXKWHMMOSA-N 463.990 5.248 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccc(F)cc2)cc1 920204181 ALKQDLRPFSEXGW-VSGBNLITSA-N 493.538 5.334 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OC1CCCC1 920369908 BKEXMHKWIFENFQ-UHFFFAOYSA-N 463.390 5.656 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc(-c2c(F)cccc2F)cs1 920806357 VWVVTXHFYOWNFR-CYBMUJFWSA-N 491.972 5.532 30 20 JKED C[C@@H](COCC(F)(F)F)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 921254902 UIFPESWPPZCOGW-KBXCAEBGSA-N 499.942 5.268 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)C1 1781460023 WMOLVIWYCGLKPO-GEBXHLAXSA-N 494.582 5.097 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cccc(C#N)c1)C2 1781928585 IADCTHNFHILWCC-VAVYLYDRSA-N 481.681 5.001 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1(c2ccc(NC(=O)C(C)(C)C#N)cc2)CCC1)C1CCCC1 1785936613 QDMHARGERQELPZ-QFIPXVFZSA-N 496.652 5.144 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](S)C(C)C)CCC3)cc2)c(Cl)c1OC 1785955716 YLMOHQUOOBFZQD-OAQYLSRUSA-N 477.026 5.059 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)CCC1 1785994936 INCJSHXBFGJRML-UHFFFAOYSA-N 491.950 5.106 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cccc(Br)c5n4)CCC3)cc2)CC1 1787880863 MAEDYSNCYOVSNC-UHFFFAOYSA-N 489.373 5.049 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787952173 YJBIMTAJCVAHKL-GYGTVUFYSA-N 487.644 5.481 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@H](C)C#N)c5)CCC4)cc3)cc2c1 1789239803 AYDKXMGLWIXVDP-LJQANCHMSA-N 493.563 6.130 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790002700 QDSHNVVAFJEGTE-UHFFFAOYSA-N 499.640 5.184 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cc(C(F)(F)F)c4)CCC3)cc2)c1 1790148208 MNTYFDMXQIDWCR-UHFFFAOYSA-N 470.426 5.106 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccccc4Cl)cc3)CCC2)c(C#N)c1 1790225860 MFGHOPPBYVVXGK-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)cc2)CCC1 1790408465 TWFATWWNJKHFBV-LJQANCHMSA-N 469.626 5.144 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Sc3ccccc3)CCC2)cc1 1790563622 PAPDAZQNDBYGGZ-OALUTQOASA-N 453.608 5.102 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C)sc34)CCC2)cc1 1790566948 FUWCKZBHFMRSNU-MRXNPFEDSA-N 464.591 5.153 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(O)nn4)cc3)cc2)CCC1 1790810891 QBQIVBAHPWYKHB-UHFFFAOYSA-N 482.584 5.365 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790867461 DFXYWJMRPWWVIS-KRWDZBQOSA-N 463.965 5.227 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)on3)CCC2)cc1 1791296488 WLRNJJKSTNRHIF-UHFFFAOYSA-N 451.473 5.301 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c(C)oc4cc(O)ccc34)CCC2)cc1)C(F)(F)F 1791303319 UJCNMKXCCINHOV-UHFFFAOYSA-N 458.436 5.313 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)C4CCCCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681918 BHKPXGWJYBCMHM-QHCPKHFHSA-N 481.637 5.266 30 20 JKED COC(=O)c1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1 1791715954 UEWAEVUVUVUVLR-FQEVSTJZSA-N 495.579 5.091 30 20 JKED Cc1cc(C(N)=O)cc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124737 FZMLWRYIUGQSNF-HXUWFJFHSA-N 494.595 5.091 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792209554 HOYMJGMQVJMKDY-RPWUZVMVSA-N 495.664 5.398 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH]c2cccc(Br)c12 1793236609 HQNJSYWXSPATET-REPLKXPHSA-N 486.454 5.104 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3cccc(Cl)c13)C2)c1ccccc1 1798554730 WCSPWCNMWXPDFF-CIAFKFPVSA-N 474.004 5.270 30 20 JKED CC(C)Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(C)C)c(C#N)c2)C3)cc1 1800647657 GIQWHLIUBIMRSZ-OOSCYNTBSA-N 473.617 5.110 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1802495684 CXXOMKMQVOHSCV-AZGAKELHSA-N 470.617 5.250 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1803089933 DLWQJRDDARHZHL-OFNKIYASSA-N 489.513 5.328 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1803560021 JMUXSKJXZPAZMM-KBMIEXCESA-N 498.048 5.252 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803608243 OZZKVQLDFGBIGT-RBVMOCNTSA-N 488.097 5.135 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(Cl)ccc4F)C3)CC2)c1Cl 1805138271 LVQTZYBHRJJFFS-UHFFFAOYSA-N 474.363 5.163 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3cnc4ccccc4c3)C2)CC1 1805313680 NERUXNKXTYGTTR-UHFFFAOYSA-N 461.650 5.391 30 20 JKED CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1806280730 RNZWDLGVZAJJFT-FYYOVZQQSA-N 480.612 5.222 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cc(F)cc(F)c3)C2)CC1 1810385395 VTSQCYGTIVPRSB-DEOSSOPVSA-N 493.598 5.640 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810953964 UGQRNPODFQFGKV-CVDCTZTESA-N 489.513 5.328 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccccc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811705501 VGBAPXFPRYYBAA-DXBVXKBHSA-N 486.015 5.252 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cccc2Cl)[C@H]1c1cccnc1 1811710156 OHNQNTAXICRTJT-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c(C)cc2OC)[C@@H]1c1cccnc1 1812015830 MSMQRPKTVUYHFC-RDGATRHJSA-N 463.622 5.019 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c(Cl)c1 1813832351 ZCJOQMPRIINTIX-DVECYGJZSA-N 493.394 5.202 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(Cl)c(F)c3)n[nH]2)c1 1814674897 ZBRAGXGCWXIXRB-QMHKHESXSA-N 493.970 5.378 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[nH]n1 1814829130 NSUQGUMDSQMODI-MYILAFDMSA-N 487.604 5.374 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)[nH]n3)c[nH]2)cc1 1816101781 NXZBBLMNWUAIEK-VWLOTQADSA-N 496.546 5.344 30 20 JKED O=C(C#Cc1ccccc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1816954667 HLTPXWQKAGJDPL-FQEVSTJZSA-N 489.988 5.030 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[nH]n2)CC1 1817111156 FCZJHYIEIVRQGW-FQEVSTJZSA-N 484.585 5.229 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817742160 CLKOYOXZIBALAQ-NRFANRHFSA-N 479.531 5.297 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cc2ccccc2o1 1818626955 ANXKJKHMGKPYRY-OAQYLSRUSA-N 472.932 5.167 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3Cl)n[nH]2)c1 1818745415 SJQCYNUGEBDQPV-QFIPXVFZSA-N 490.926 5.175 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971496 ADKXTFJRXIZYPP-OYHNWAKOSA-N 465.985 5.438 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819149379 XQXVPCWWXOAGBM-LJQANCHMSA-N 451.596 5.318 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)[nH]n1 1819308835 FDOVFQOTOYRJRW-WMZHIEFXSA-N 493.011 5.323 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)[nH]n2)c1Cl 1820218158 NXABVOHRNHNMMT-QGZVFWFLSA-N 488.400 5.198 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)[nH]n2)c1Cl 1820218175 NYYXXMCWOMVQIT-WMZOPIPTSA-N 475.927 5.066 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4nscc34)[nH]n2)c1Cl 1820221398 VTYZHRSMCYHYRV-HXUWFJFHSA-N 490.976 5.164 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccoc3Cl)n[nH]2)cc(C(F)(F)F)c1 1820394100 IKFQKOGDZHNPKL-QGZVFWFLSA-N 491.857 5.166 30 20 JKED CC(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)cc1 1820591550 BMZQCDVDYNJRFT-HSZRJFAPSA-N 459.525 5.164 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821542775 JLFKMCHPQARPPK-OAQYLSRUSA-N 465.985 5.619 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4c(Cl)cccc4Cl)sc3C2)cc1 1821907666 FGUSPAOHXSWIBZ-OAHLLOKOSA-N 485.396 5.056 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1822582647 QBSKHBKVEQLQGZ-HSZRJFAPSA-N 483.572 5.651 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cn(C)cc3C(F)(F)F)[nH]n2)c1 1823212210 MCSGZXORUGAPRP-VFNWGFHPSA-N 498.509 5.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccccc3Cl)[nH]n2)c1 1823212315 SYEHVECYMGPXFL-UZUQRXQVSA-N 475.980 5.239 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)[nH]n2)c1 1823215675 ZYUFQCNRDICIAI-NKNQFRNOSA-N 487.526 5.260 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)(C)C)cc3)[nH]n2)c1 1823216285 FZCVIMVZRCHZOE-CLOONOSVSA-N 499.615 5.834 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)[nH]n2)c1 1823216713 MZOGOQRMJFRQPK-NBGIEHNGSA-N 481.600 5.465 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216816 BRFHPTVDSOWLAK-KSFYIVLOSA-N 491.979 5.318 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3nc(-c4ccccc4)sc3C)CC2)C1 1823697659 UPMQHJFHBGFWLV-RUZDIDTESA-N 477.674 5.247 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3ccc(C#N)cc23)CC1)c1ccccc1 1824240726 CKBVXPDJOWSJGQ-SVBPBHIXSA-N 497.643 5.108 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824246541 QYNBKMJMUICVHS-PGEBGMQZSA-N 477.114 5.552 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1824498376 ZWXQDDYAMQOHHW-VWLOTQADSA-N 491.072 5.102 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)s1 1824542466 XOMUQMSLJDREDI-DENIHFKCSA-N 465.729 5.064 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](c3ccccc3)N(CC)CC)sc2C1 1824758707 KYJSQFGXSDSCJY-NZQKXSOJSA-N 482.694 5.131 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1824957767 XJEKXSCVZLBMPS-JOCHJYFZSA-N 488.053 5.148 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1825096827 VCFOLSZDJPIBPJ-YLUWWHAYSA-N 480.612 5.295 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)s2)CC1 1825351387 NVNVIHYSJHKXPJ-FQEVSTJZSA-N 462.707 5.172 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1825574429 ABYVLMCMQCWCMV-HHHXNRCGSA-N 484.575 5.240 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(CC(C)C)oc3ccc(OC)cc13)CC2 1826037296 FXPJBCPYYUPLLB-KRWDZBQOSA-N 493.629 5.126 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828098184 XLIXRGDIMRNAKN-XUZZJYLKSA-N 465.663 5.606 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1828352553 ROHGNOOEXISFQB-PBWSGDRGSA-N 476.661 5.255 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1828821835 SCSKVVDRAIEATC-ZEQRLZLVSA-N 491.598 5.421 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828828671 PFWNFVURHGTLSE-NZQKXSOJSA-N 469.029 5.218 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1 1829067121 CMLAZHDRHBKPIX-NRFANRHFSA-N 490.570 5.198 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)c1 1829776258 YLSPTVDVBAWDPA-SANMLTNESA-N 482.584 5.226 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1 1830578914 PPGBPWWXKJLCMW-QHCPKHFHSA-N 471.935 5.037 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(F)c3F)CC2)c1 1830770105 JHGPKPBAEPTCFY-XMMPIXPASA-N 465.544 5.000 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830872817 IZIOGUSZANTLIH-DHIUTWEWSA-N 474.070 5.076 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1831373612 GDSIKHHCOYBIJP-IERDGZPVSA-N 461.990 5.002 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1831445747 TWBZSPYOAZCGAH-HXUWFJFHSA-N 463.956 5.266 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1831446064 BGDIUQVKUZECBJ-FQEVSTJZSA-N 473.589 5.255 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1831446221 WOEHTXFWOBKXIA-FQEVSTJZSA-N 489.529 5.533 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc1 1831750568 HKPYGMXGZKUBAI-HHHXNRCGSA-N 474.649 5.095 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1831852712 ZDZWZOBZFNFCKE-DEOSSOPVSA-N 474.686 5.092 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OCc3ccccc3)c(OC)cc2C)CC1 1831860395 RKHYRRQXSSTNKM-AREMUKBSSA-N 490.644 5.392 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831925913 LECFSBCOXNVLST-GPXXLQEOSA-N 490.688 5.335 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831926865 BLRDYJPTZNLLLS-ZVVXMFRTSA-N 498.667 5.313 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccc(C)cc3s2)CC1 1832029240 ZJLTYQUIQYHJTG-QFIPXVFZSA-N 451.636 5.032 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)ccc(F)c1F 1832618568 WMJUNCHLQQLHBV-GLCJEOIMSA-N 486.584 5.007 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1 1832629898 DRQICGFIGOTAQA-UZUQRXQVSA-N 486.538 5.208 30 20 JKED Cc1csc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633379 BOSROEACWMXNAH-LVXARBLLSA-N 477.674 5.550 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(F)CCCC=C3F)CC2)cc1C#N 1832704756 SHQFQYCUFMYRSU-FIPFOOKPSA-N 499.602 5.324 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(Cl)cn3)cc1)C2 1844201930 FMWUJYPPIHSNOB-QFIPXVFZSA-N 465.981 5.113 30 20 JKED C#CCCCCC(=O)N1CC2(CCCN2C(=O)c2cccc(OCc3nc(C(C)(C)C)cs3)c2)C1 1845548975 LKNCBHFMYSEUAM-UHFFFAOYSA-N 493.673 5.030 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nc2cc(Cl)ccc2c1=O 9085538 HMJMNZZYWGUMEU-JTQLQIEISA-N 469.781 5.057 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2cccc(C)c2C)cc1 10167751 PEGZUEBYLJLTGZ-UHFFFAOYSA-O 465.642 6.871 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 11196778 FKLXEJCSQXQMNX-UHFFFAOYSA-N 451.964 5.252 30 20 JKED COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)c1 16666778 LRWBIQPARFSKIJ-UHFFFAOYSA-N 495.605 5.280 30 20 JKED N#Cc1ccc(C(=O)CSc2nnc(CNc3cccc(C(F)(F)F)c3)n2C2CCCCC2)cc1 19190501 HQAPWNSNHDTTBP-UHFFFAOYSA-N 499.562 6.261 30 20 JKED Cc1cc(C)c(C#N)c(SCc2nc(O)c3cc(Br)cc(Br)c3n2)n1 22465891 VPLIUAGYDQQUID-UHFFFAOYSA-N 480.185 5.036 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(C)c(F)c2)cc1 22732099 LGISUWUARGYXSW-UHFFFAOYSA-O 472.403 5.797 30 20 JKED CC(C)c1ccccc1-n1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nnc1-c1cccnc1 23516438 ZMPLOICJVUTSLP-SFHVURJKSA-N 468.586 5.444 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc2scc(-c3ccccc3)c2c1=O 23559028 GBWDHGVSETZNDL-UHFFFAOYSA-N 492.582 5.258 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1Cc1ccccc1 23602819 DGLIVSIKZMSVHJ-LJQANCHMSA-N 475.643 5.145 30 20 JKED CCOCCCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nc2ccc(Br)cc2c1=O 24841379 LOWKZYDVWGSCJN-IBGZPJMESA-N 486.435 5.121 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2cccc(C)c2)c1 28780295 VZKWLGLVMCTWHJ-UHFFFAOYSA-O 454.413 5.713 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)n(C2CCCCC2)c1C 32388277 YWVHDMFZOPVCEW-UHFFFAOYSA-N 499.040 5.563 30 20 JKED CCCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2sc3c(c2c1=O)CCC3 247992972 LIEILURJBSOKSY-UHFFFAOYSA-N 476.627 5.200 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)c2)c1 302961494 CAMHZWREIWMVBB-UHFFFAOYSA-N 457.530 5.505 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)cc1 409656500 IWBKRNVGFUNEJA-LJQANCHMSA-N 460.603 5.815 30 20 JKED N#Cc1cc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)ccc1OCC(F)(F)F 481856137 XZRDODPANGBXDP-UHFFFAOYSA-N 451.857 5.457 30 20 JKED N#Cc1cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)ccc1OCC(F)(F)F 481878917 JOVHLBPANJJOCP-UHFFFAOYSA-N 463.415 6.074 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 484312006 WRYHZEDRFAHJGT-UHFFFAOYSA-N 455.558 5.652 30 20 JKED CC(=O)N(c1nc(CSc2nc(N)c(C#N)cc2C#N)cs1)c1c(C)cc(C)cc1Cl 487266246 VKVKGKGVPATAGS-UHFFFAOYSA-N 468.995 5.111 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 498319230 JYVQLGAALSOHLU-UHFFFAOYSA-N 493.532 5.082 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1 501130491 JJKBCQGTEQDDKZ-UHFFFAOYSA-N 491.595 5.220 30 20 JKED COc1ccc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1Br 505624338 VBFRZESDGXCMLJ-QGZVFWFLSA-N 494.389 5.985 30 20 JKED C=CCN(C(=O)Cn1ccc2ccc(Cl)cc21)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 506000224 YEUZXRLNIJREBI-UHFFFAOYSA-N 486.018 5.041 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)cc2Cl)cc1 508294822 ZKDYKDSPAOZOFI-UHFFFAOYSA-N 492.938 6.026 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 513681572 FIDBHXXYTIYWDU-INIZCTEOSA-N 498.593 5.075 30 20 JKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 515768264 YNWGPSVJOJSLKZ-KRWDZBQOSA-N 499.571 5.880 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c3ccccc3)c2)cc1 517292930 DFBJMBMFFJPGCS-HSZRJFAPSA-N 481.474 5.080 30 20 JKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 517405031 FBPKBNWHUYYWTH-UHFFFAOYSA-N 498.398 6.364 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 517461356 GVBGRNSJJLOLDL-HXOBKFHXSA-N 481.415 6.460 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)nnc1-c1ccc(Cl)cc1 518120112 SPXHHHCNRSORGM-UHFFFAOYSA-N 497.049 5.266 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 519500511 ISAQEEKDVOBORU-FQEVSTJZSA-N 474.948 5.026 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)nnc1-c1ccc(Cl)cc1 520697996 AECHRYSYOLNMQU-UNMCSNQZSA-N 487.000 5.052 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)c(Cl)c1 520846949 QKEJEWCJHSNJCM-QGZVFWFLSA-N 450.391 5.595 30 20 JKED CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521743078 ZYPGYFHJSCGGKJ-UHFFFAOYSA-N 461.918 5.023 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3c(Br)cccc3C2)cc1 522233829 ZFHMHLGADKNXLP-UHFFFAOYSA-N 478.346 5.712 30 20 JKED Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1CCc1cccs1 524089575 RMXOBNDSOLRIJY-AWEZNQCLSA-N 471.677 5.212 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nc2ccccc2[nH]1 524675510 HJJBTUAGTNRDPY-LJQANCHMSA-N 489.523 5.039 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1C(=O)c1ccc(F)cc1 588841197 BSYLOXRVOSOQFF-UHFFFAOYSA-N 451.457 5.676 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)o2)cc1 591192466 KLSYXRCKQSWYBL-RUZDIDTESA-N 450.494 5.723 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nnn(-c4cccc5cnccc45)c3C)n2)cc1 595869257 HUYFTPQITVCETB-FQEVSTJZSA-N 450.527 5.046 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2C(C)C)cc1 603564631 SDKZTKVUWMXMGM-UHFFFAOYSA-N 474.615 5.572 30 20 JKED CCOc1ccc(N(C(=O)CCCOc2ccc(C#N)cc2OC)c2nc3ccccc3s2)cc1 603727557 XBUVCEXBDPBEAL-UHFFFAOYSA-N 487.581 6.099 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/c2ccc(C#N)cn2)c(Br)s1 603893970 LPAPXQFNQCSSGL-BQYQJAHWSA-N 493.308 6.046 30 20 JKED COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 603998253 SEDRATFUSQUTBZ-CQSZACIVSA-N 467.884 5.018 30 20 JKED CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604085953 VQDBPYXSOMWFJW-UHFFFAOYSA-N 463.965 5.918 30 20 JKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 608805521 KQQSLKBCEVKYHG-GOSISDBHSA-N 483.499 5.613 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3csc(Cc4ccc(F)cc4)n3)c2)c1 608870266 HCVISBAIWXKSBT-UHFFFAOYSA-N 456.502 5.249 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cc(Br)ccc1OC(F)F 608920627 VLDUJZSDUKKXMJ-UHFFFAOYSA-N 452.299 5.042 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609082319 IQSJLWWZWSFCJQ-FQEVSTJZSA-N 471.504 5.141 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 609083808 JPTCZRDMXBAFQD-HSZRJFAPSA-N 461.949 5.387 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1 609104045 CYCGSWJFAWTMLH-UHFFFAOYSA-N 471.488 5.511 30 20 JKED N#CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CCC3)CC1 609330297 LVDYIWYEUQXMDK-CZIZESTLSA-N 471.004 5.483 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 609369280 AFVNHVBFYJNGPR-INIZCTEOSA-N 460.584 5.015 30 20 JKED COc1ccc(-c2cc3ncn(CC(=O)Nc4ccccc4SC[C@H](C)C#N)c(=O)c3s2)cc1 609370601 HOIHIVLJUCCODT-MRXNPFEDSA-N 490.610 5.024 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 609377534 XYOCWUZRKBUOCZ-ACJLOTCBSA-N 491.400 5.089 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)c1ccc2ccccc2n1 613292520 NJRGXGZPFKFUGU-FQEVSTJZSA-N 471.442 5.720 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319214 AJNMMIOIRRCBDW-ZJSXRUAMSA-N 499.979 5.896 30 20 JKED O=C(c1ccc(C(F)F)nc1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517863 QCGIVRVFGVQUSW-OAHLLOKOSA-N 454.317 5.271 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 637369644 GIWCGBMUTVEILR-UHFFFAOYSA-N 494.922 5.992 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 642235343 DPIIOMBXSSCNJY-HNNXBMFYSA-N 468.953 5.070 30 20 JKED Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1F 642298342 XAYXOXBYQSYGJF-GHMZBOCLSA-N 455.349 5.098 30 20 JKED C=CCOc1c(Br)cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1OC 643907019 ZCIAQLFLECJKND-QFIPXVFZSA-N 469.335 5.382 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1[C@@H]1COc2ccccc2O1 645077666 FKAVLJDGWBGQDG-NRFANRHFSA-N 478.599 5.401 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 675562382 WNTTXORVGYYSLV-OAQYLSRUSA-N 469.010 5.249 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CNC2(c3ccc(Br)cc3)CCC2)c1=S 725772030 CPUZKOWWJPTHJA-UHFFFAOYSA-N 485.451 5.665 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)SC1=Nc1cnn(CC)c1 726118541 OEFVJDGPELWAST-JOCHJYFZSA-N 477.590 5.066 30 20 JKED NC(=NOCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccc(OCc2ccccc2)cc1 726597065 POGLCBAKWSVBJF-UHFFFAOYSA-N 469.328 5.460 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 727629173 SOBKUHNCGRAPIP-IBGZPJMESA-N 466.994 5.090 30 20 JKED CC(C)n1ncc2cc(/C=C\C(=O)c3ccccc3I)c(Cl)nc21 727780091 GWSDLPRPXJARBX-FPLPWBNLSA-N 451.695 5.166 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)c4cscn4)c3C#N)C(C)(C)C2)o1 728338044 JVBVMQTWNPTMTA-FNORWQNLSA-N 479.583 5.551 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccc(C(C)C)cc2)no1 728422978 HZHBWXZRIJDCBS-QHCPKHFHSA-N 487.585 5.139 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1 728777240 FCCQABRNYINDCN-HTIDCGSISA-N 454.621 5.140 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCc1c(C)noc1C 730445452 ZSGCEYWPRUSKDU-HSZRJFAPSA-N 494.592 5.196 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O)Nc1ccccc1Br 730460317 XMKANOGWRNKDQA-SFHVURJKSA-N 476.371 5.101 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2nc3cc(Cl)ccc3s2)n(C2CCCC2)c1C 730607433 HVSFDZHZOYICEN-UHFFFAOYSA-N 485.009 5.469 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccc(Cl)s2)C1=O)Nc1cnccn1 730720144 OHAJJCZQLROHCE-HNNXBMFYSA-N 492.413 5.005 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1[C@@H](C)c1cccnc1 730943322 CEEHCQMIRGQHLD-UUOWRZLLSA-N 488.613 5.374 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731063994 OFUFPZSVUINBRF-HNNXBMFYSA-N 468.966 5.024 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2C)c1 731307623 ITBNIXHKOWCXOX-DEOSSOPVSA-N 489.597 5.178 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731309453 STCFAMWQCYFHRF-LJQANCHMSA-N 490.368 5.453 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 731400522 QJNGNSCZOYBSLZ-HYBUGGRVSA-N 497.668 6.582 30 20 JKED CCOc1cc(C=Nn2cnnc2-n2nc(C)cc2C)ccc1OCc1c(Cl)cccc1Cl 744755135 LSBMTEACWDJSHN-UHFFFAOYSA-N 485.375 5.247 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C=Nn1c(S)nnc1COc1ccc(C(C)C)cc1 744807316 WIMUZDJHSHNKMW-UHFFFAOYSA-N 460.607 5.013 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(C3CC3)C2=O)c1 745989261 OHFSLSFEUQWJSG-IBGZPJMESA-N 494.400 5.133 30 20 JKED CCN(CC)c1ccc(-c2nn(CN3CCC(C#N)CC3)c(=S)n2-c2ccccc2C)cc1 747079049 RNQPOOFAXWKEFE-UHFFFAOYSA-N 460.651 5.418 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cscn3)C2=O)cc1 747602024 XXNMUBNAVNGRQC-IBGZPJMESA-N 471.007 5.265 30 20 JKED COc1ccc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 748584771 VKHMVELDLGVTPW-UUILKARUSA-N 474.469 5.035 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(OC(C)C)cc2)cc1 749656471 SSJRTTNOOKCUIA-UHFFFAOYSA-O 458.607 5.909 30 20 JKED CC[C@@H](C)n1c(SCC(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)nnc1-c1ccccc1 750256215 GWZRNDMQNCXSDH-GOSISDBHSA-N 486.601 5.117 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1=O)NC1CC1 750915678 IDVDQRKCIOCVTJ-YSGRDPCXSA-N 491.510 5.001 30 20 JKED COc1ccc(-c2nc(C=Nn3c(C)nc4sc5c(c4c3=O)CCCCC5)cs2)cc1 767032721 HQFMHZOZPPCLSL-UHFFFAOYSA-N 450.589 5.050 30 20 JKED C=CCOc1c(Br)cc(/C=C2\SC(=S)N(CC(=C)C)C2=O)cc1OCC 814292253 SIXNJCAMEYIUFI-YBEGLDIGSA-N 454.411 5.190 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1OC 817844412 UFOZXKLXHXEGEV-UKTHLTGXSA-N 478.980 5.550 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)c1 837450875 PQPKGKQJVAQEOX-DEOSSOPVSA-N 496.652 5.276 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 837542410 KSQZKIFNQYKULA-VFNWGFHPSA-N 466.513 5.081 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)c1 838278175 SHRBVBFYNUWQPI-DEOSSOPVSA-N 478.662 5.082 30 20 JKED O=C(Nc1ccccc1)N1CCC(/N=C\c2cc(Br)cc(Br)c2O)CC1 839387135 JREVWGWPSGLJSS-UUYOSTAYSA-N 481.188 5.033 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2cccs2)c1 857078734 USJPAIVCYXOBMC-IBGZPJMESA-N 460.555 5.088 30 20 JKED COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)ccc1OCC#N 877852931 CWXOWIBZIMKHRG-JOCHJYFZSA-N 454.313 5.675 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 912842852 HETCKHRKOHMTAX-QXWFJRNPSA-O 478.682 5.637 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2sccc2C)cc1 914551030 WUHPSBFLVXNWOH-OAQYLSRUSA-N 495.626 5.234 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2)cc1 914773014 VHBRMRZLQOIDMZ-VWLOTQADSA-N 487.625 5.610 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc([C@@H](C#N)c5ccccc5)cc4)cc3)o2)c1 915085554 NNNLSTKCLRWSEH-MHZLTWQESA-N 470.532 6.620 30 20 JKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103534 WUWAATALUJXWHC-NSBPVKJYSA-N 457.599 5.302 30 20 JKED Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(CCC#N)Cc3cccnc3)c2=S)cc1 915795997 PCVSLCIENBIHFT-UHFFFAOYSA-N 475.021 5.800 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccccn3)C2=O)cc1 916208068 SJFOARLXBSXOJE-HSZRJFAPSA-N 458.587 5.167 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)cc(C)c1 916212072 RSFJAZSEVRUGBN-SFHVURJKSA-N 480.417 5.217 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)cc1 916212698 QHARIUKEWNIDJF-NRFANRHFSA-N 481.961 5.296 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=Nn1cnc2sc(C)c(C)c2c1=O 916310701 DYDDPEUKGHDUOJ-UHFFFAOYSA-N 480.808 5.470 30 20 JKED N#CCOc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 916411363 RSZDAFBGVAQBBZ-UHFFFAOYSA-N 486.380 5.879 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 916915089 CNEKLPFNPVZZAK-RUZDIDTESA-N 482.609 5.930 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 916957828 FWCFQSAHPYVDAP-UHFFFAOYSA-N 495.583 5.306 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 917507383 VWTFLXDUFAGSHI-MUIAGPEESA-N 492.934 5.733 30 20 JKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1CC(=O)O 917559154 FDTLBZBKTVYOHF-TWGQIWQCSA-N 470.934 5.013 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2[nH]c(-c3ccccc3)nc2C)cs1 917560683 VUIHMZUKEQAPDI-JLHYYAGUSA-N 462.962 6.076 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCN3CCC[C@H]3C2)C1=O)Nc1ccc2ccccc2c1 917673639 DXNRZUGLGXIEOC-GSDHBNRESA-N 498.652 5.427 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCC1CCCC1 917700000 BVLRSOKUOZQOOU-JOCHJYFZSA-N 464.566 5.238 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(C)cc3Br)n2)cc1 920138835 KTDUJCFVSPDBNU-WMLDXEAASA-N 471.376 5.533 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2ccco2)C1=O 920171757 WWUSXVCZORWWBZ-OAQYLSRUSA-N 491.569 5.064 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3c(C)noc3C)C2=O)cc1 920355853 QCIHTGZTWHSBCS-QHCPKHFHSA-N 492.601 5.159 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3sccc3NC(=O)c3ccncc3)cc2Cl)cc1 920741459 CUJVWCPBCFBKOG-UHFFFAOYSA-N 474.929 5.965 30 20 JKED N#C[C@@H](C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(-c2c(F)cccc2F)cs1 920806720 ONSMUFJMXKELSX-KRWDZBQOSA-N 471.488 5.433 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1C 920893661 FHKKTRMIRJMHDB-FQEVSTJZSA-N 458.562 5.388 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c2ccccc21 921226893 YWBOKKLUQJKZFC-UHFFFAOYSA-N 484.364 6.025 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](c1ccc(Cl)cc1)C(C)C)C2 1779263516 NTYWSBBSNBTRHI-YKKMPQLRSA-N 487.084 5.362 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Oc3ccccc3)cc2)C1 1780877549 CDZCHPQKYZCREB-PDDLMNHVSA-N 490.644 5.599 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)cc1 1786334432 XCZWDJGMMCDJHM-UIOOFZCWSA-N 497.570 5.186 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1 1786546326 QJVLBOFMADOHQH-FQEVSTJZSA-N 457.615 5.026 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4c(F)ccnc4Cl)cc3)CCC2)cc1 1786988114 VXGGRGNXHQJHII-UHFFFAOYSA-N 476.939 5.126 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(OC)c3)cc2)CCC1 1788358147 RNMBIUVUEZRAMG-VWLOTQADSA-N 499.611 5.078 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790001415 QUNSALWNCUKHSA-GOSISDBHSA-N 473.598 5.493 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)COCc4ccccc4)CCC3)cc2)c1Cl 1790081600 DFRPKRPWOHWENS-UHFFFAOYSA-N 473.960 5.176 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)CCC3)cc2)c1 1790144345 DSBNMGPUVWFLNK-GVUKDKGQSA-N 479.584 5.012 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3)cc2)CCC1 1790261760 OGXHHVHCFSTWOY-WHLCRQNOSA-N 493.579 5.043 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CCC1 1790267049 SAFBPQIFNLKKFQ-UHFFFAOYSA-N 473.404 5.023 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790766237 QJDOTQDDYGJUIX-QGZVFWFLSA-N 474.561 5.021 30 20 JKED Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785334 GZPCAGUSXJRKGU-UHFFFAOYSA-N 466.463 5.275 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1791254178 LPBHSPGMZLMINY-AZUAARDMSA-N 457.615 5.026 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CNc4ccccc4C3)CCC2)cc1 1791299906 MQAWEMDXTHYNLW-IBGZPJMESA-N 467.560 5.397 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CC3(F)F)CCC2)cc1)c1ccc(O)cc1 1791645783 PRNRRTFHXLVVME-CLOONOSVSA-N 466.528 5.069 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc(F)c4F)cc3)CCC2)c1 1792128051 VKZLUCGHEVDZTA-UHFFFAOYSA-N 479.458 5.046 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(CC(C)C)oc2ccc(OC)cc12 1796430243 UOOLXPCHEZEWLG-WKCHPHFGSA-N 464.606 5.085 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C2 1798339418 ULANXOMKEYYYFQ-MHORFTMASA-N 454.920 5.379 30 20 JKED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1800812799 XGDSIMUMVHRHTK-KOUNCHBCSA-N 465.553 5.188 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(NC(=O)OC(C)(C)C)sc3c2CCCC3)C1 1801022779 OITCIWDZESHSDU-REPLKXPHSA-N 499.677 5.192 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnc3cccc(Cl)c3c2)c1 1801142282 BRWFNGIFSUQVSA-ZINXYGQCSA-N 472.976 5.081 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1803091437 NJDQCHUUVWHNKD-IAPPQJPRSA-N 486.660 5.160 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc(Cl)c2F)cc(C(F)(F)F)c1 1803801408 UIYWVBNHGQLCGV-MUJYYYPQSA-N 497.851 5.074 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)c1ccccc1 1804137050 VGDXGIORLUFARD-JHXGOWNISA-N 474.567 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807837523 SLJCJSSSMSJTDT-NAKRPHOHSA-N 496.655 5.764 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1808889612 PECHZVNZSPIMKG-NOZRDPDXSA-N 453.671 5.686 30 20 JKED N#CC1(C(=O)N2CCCC3(CCN(C(=O)C4CCC(c5ccc(Cl)cc5)CC4)CC3)C2)CC1 1809494386 GVBXBFWTFMQIBU-UHFFFAOYSA-N 468.041 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810175682 XKTNBAFFXMLLDE-PMAPCBKXSA-N 473.951 5.101 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(Cl)c1 1810278237 WZZNTBHHHGXISP-GJZUVCINSA-N 496.127 5.414 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1)c1ccccc1 1810443975 NXUXYFJAOSDVRJ-ITCSKINOSA-N 495.623 5.290 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc4c(ccc5ncccc54)s3)[C@H]2c2cccnc2)C1 1811279704 GHBOBDIBYIQAMM-NIYFSFCBSA-N 482.609 5.130 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1812471959 GARIHQSUKPWDJM-XKCCCATKSA-N 498.602 5.046 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)Cc3ccccc3Cc3ccc(F)cc3)[C@H]2c2cccnc2)C1 1812929065 TVJNSNRHTMCDRK-PDDLMNHVSA-N 497.614 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2ccc(OC)cc2)n[nH]1 1814729308 ZATYWXRUBRXWMO-AVRDEDQJSA-N 452.599 5.207 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1815207775 QEHVQSADQOWNSH-LJQANCHMSA-N 487.025 5.567 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)cc2Cl)n[nH]1 1815578026 WTNYHZMCLYHDEX-NRFANRHFSA-N 458.965 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c1 1815790780 CDEZXKHMMXNVQP-QLRIONBGSA-N 492.583 5.537 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)s3)n[nH]2)c1 1816400313 JEPKGQVRFFKFSZ-RDTXWAMCSA-N 467.982 5.371 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)cc2c1 1818207104 VVTCURRTYDUURJ-JXFKEZNVSA-N 483.597 5.100 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1)C(F)(F)F 1818605681 UHGLCBSMGIPTNO-KRWDZBQOSA-N 477.874 5.036 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)[nH]c12 1819021848 JWODQXIDBQYPFZ-DEOSSOPVSA-N 480.572 5.010 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)c1 1819479960 ZYTNASWVTCUZPT-LBYSXPAKSA-N 489.620 5.089 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)c1 1820526904 QDXJMRDIWARUGJ-OAQYLSRUSA-N 481.478 5.228 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccncc3-c3ccccc3)sc2C1 1821000376 XCNNXMWLXNABAP-UXHICEINSA-N 472.614 5.199 30 20 JKED Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)c1 1821107827 INULQOXXXRNHBA-HSZRJFAPSA-N 489.551 5.136 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821181290 ILTQLCNZZMFNML-OAQYLSRUSA-N 461.953 5.057 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274543 HDMLCPCIKWHEEV-HXUWFJFHSA-N 495.008 5.061 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)n[nH]1 1821351600 FBOGJQGSBKWMSY-LJQANCHMSA-N 464.488 5.013 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821527699 LUYIYEVYNRVFNW-LPHOPBHVSA-N 467.595 5.040 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)[nH]n2)c1 1823215273 PMOQNSHATKEBKV-VFNWGFHPSA-N 472.574 5.199 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4cnccc4c3)[nH]n2)c1 1823215485 SUXBNLBXFGYIOH-AVRWGWEMSA-N 478.556 5.205 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)[nH]n2)c1 1823216612 XSCCYBVASCDBTA-KOSHJBKYSA-N 485.563 5.214 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)cc1 1823685239 OBIKEJPMVJTVEJ-VWLOTQADSA-N 495.570 5.026 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3SCc3ccccc3)CC2)C1 1823702151 HOKXHSNKTVYEMC-SANMLTNESA-N 489.685 5.573 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 1824143429 MTTTXDDAMXOTBT-OAQYLSRUSA-N 463.544 5.102 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c(F)ccc(F)c3F)CC2)c1 1824798910 XERIFXREVSEUAT-CJAUYULYSA-N 497.561 5.207 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCC#N)CC3)ccc21 1826692122 DOOQBEKVXNYGNF-RUZDIDTESA-N 470.617 5.351 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)CC1 1827167936 KZEIHEWLKQYKIA-MHZLTWQESA-N 461.650 5.489 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C#CC4CC4)CC3)c2c1 1827298969 FAXBJRJRWUCQEY-VWLOTQADSA-N 490.644 5.287 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)c1 1828458199 QOVBWTZKNXSAOF-NKKHJSFDSA-N 491.676 5.407 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1828831103 UNBXVPRUBAZNIW-RSXGOPAZSA-N 480.052 5.890 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(F)c2)CC1 1828903851 HZSZPZZIEBFRSK-RUZDIDTESA-N 470.705 5.039 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1829007423 YHLARCYCHDTNNE-GZNDIYCSSA-N 480.630 5.112 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)Sc3cccs3)CC2)c1 1829678980 DHVIFVSATUENSN-FDDCHVKYSA-N 497.686 5.042 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829688059 PZWLFNQGLRMKSW-XMMPIXPASA-N 494.035 5.141 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2F)CC1 1829884894 QCHUNYWIFYYMFN-DEOSSOPVSA-N 474.668 5.249 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830717452 MGSAMCHYTFMPQV-FNZWTVRRSA-N 461.581 5.043 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4sccc4c3O)CC2)c1 1830959569 SDWKJXXRJXYRKG-HSZRJFAPSA-N 491.588 5.165 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831291409 YKLJELQYKNIZBE-DEOSSOPVSA-N 455.042 5.185 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1831369529 CNBWPESMWUHAGC-RDPSFJRHSA-N 452.639 5.236 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccccc2C#N)CC1 1831577319 OJOXRBKABOVYFM-VWLOTQADSA-N 481.681 5.553 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831744692 CRIYPYNTIQAOCW-HSZRJFAPSA-N 478.649 5.449 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c(Cl)c1 1832555891 IYLFBWOLLHSRTK-AREMUKBSSA-N 476.020 5.636 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1832632458 REGJRXXHVLVPLU-KCWPFWIISA-N 491.752 5.598 30 20 JKED COc1ccc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633976 QCZYSZFRYOMEAA-JIPXPUAJSA-N 473.617 5.178 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c(Cl)c1 1832658634 IGETUKYWFRHMNS-AREMUKBSSA-N 494.035 5.086 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711623 PBUSRRLVLXSGLF-LJQANCHMSA-N 496.467 5.810 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)CC1 1832722568 XTJOIZJGRDMLAI-OAQYLSRUSA-N 479.846 5.139 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)CC1 1836697633 OCEYBKLZQFZFQL-UHFFFAOYSA-N 482.665 5.245 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4ccccc34)CC2)CC1 1838189087 GPJLBJVVZQDMGG-RUZDIDTESA-N 460.618 5.220 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)CC2)CC1 1838390515 HZHCZEZEPPDMDH-RQNOJGIXSA-N 488.789 5.253 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)CC1 1838736762 QYZURNABSOXHQF-GOSISDBHSA-N 481.464 5.137 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(CCCCC)cc3)CC2)CC1 1838750844 UGKKZEGOBZTMAO-QHCPKHFHSA-N 468.682 5.173 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3ccc(Br)cc3s1)C2 1844202340 CWJBHHWHRTWXLY-GOSISDBHSA-N 473.436 5.249 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccccc3Oc3ccccc3)C2)c1 1844868481 WWWBMXLQEANIFH-NRFANRHFSA-N 465.553 5.237 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 1845340921 ZWHCYBZXSPKFNK-UHFFFAOYSA-N 492.366 5.133 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C#N)n1CCc1ccccc1 11069559 DTWXVYJYTJSCEB-LJQANCHMSA-N 483.597 5.187 30 20 JKED N#Cc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c1 15739004 HUJKBETXSGNEJR-UHFFFAOYSA-N 479.867 5.284 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nc2sc(-c3ccccc3)cc2c1=O 16715733 YMXQEPZPSFBDQZ-SFHVURJKSA-N 475.639 6.047 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1cccnc1 21680443 UQVNKILHQJPERC-HXUWFJFHSA-N 468.586 5.065 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nc2cc(Cl)ccc2c1=O 21831857 MJUBOFKCDHKANV-MRVPVSSYSA-N 489.853 5.051 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 22122278 XPVNGGVUCVZGCQ-OSPHWJPCSA-N 468.026 5.182 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)NCc2ccc(OC)cc2)cc1 22692774 YUNKKUSJTJNDQB-UHFFFAOYSA-O 478.682 5.570 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(N(C)C)cc2)cc1 22732589 GJCNECMOSPKNLK-UHFFFAOYSA-O 499.454 5.252 30 20 JKED C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)Nc1sc2c(c1C#N)CCC2 23500876 PYPZPELQAAZNBA-JTQLQIEISA-N 479.077 5.858 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2OC(F)F)nnc1-c1ccc(Cl)cc1 26022459 QVUPATULDBYXNU-AWEZNQCLSA-N 478.952 5.355 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 27391088 JIISAGWBCLEXPK-UHFFFAOYSA-N 450.922 5.096 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c1 30381759 MCHRRFZQOBLPCP-GCJKJVERSA-N 461.027 5.372 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCSc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 32338061 NSUFHCUQFBZEIB-GOSISDBHSA-N 491.469 5.883 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N(CCC#N)c1ccccc1 36801985 NCPABCGUVUSPQE-FQEVSTJZSA-N 465.582 5.633 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 46861553 LTNQSDVOUWKJPI-QFIPXVFZSA-N 473.989 5.615 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)ccc1I 97542525 VXWJOPASEDQGSS-UHFFFAOYSA-N 486.284 5.442 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 107654722 MILLIDDIHMXJMG-OAQYLSRUSA-N 473.381 5.451 30 20 JKED N#CCCCOc1cccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 108597986 MPMUOIVOPLQSKT-UHFFFAOYSA-N 482.334 5.158 30 20 JKED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1(Cc2nc3ccccc3s2)CCCCC1 116207059 MOJRJAJZVNZLSB-UHFFFAOYSA-N 499.596 5.029 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1OC 195662516 DISWHAXTVTVINK-OAHLLOKOSA-N 472.364 5.255 30 20 JKED COc1ccc(/C=C2\CSC/C(=C\c3ccc(OC)c(OC(F)F)c3)C2=O)cc1OC(F)F 212896004 BRWCNQUTYLYKEJ-BGPOSVGRSA-N 484.467 5.690 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2F)c1 481576469 UURJRSKCXKAEII-FQEVSTJZSA-N 462.500 5.063 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483178520 MMLFGNBRYCWLRM-UHFFFAOYSA-N 456.527 5.977 30 20 JKED N#Cc1ccsc1C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 497980963 IAVABBMRZJUUIK-INIZCTEOSA-N 474.405 5.332 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1C 500835131 CTXYFSHJTYWCAN-UHFFFAOYSA-N 477.008 5.212 30 20 JKED N#C[C@H](C(=O)c1cc(Br)c2c(c1)OCCO2)c1nc(-c2c(F)cccc2F)cs1 501367276 YGMORLUQSKJOMX-LLVKDONJSA-N 477.286 5.112 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)Cc2cccc(Br)c2)cc1C 501573123 VWPWJLAFLJITCY-GOSISDBHSA-N 465.395 5.204 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 502660350 DYWKWOHLFVESOK-UHFFFAOYSA-N 462.363 5.290 30 20 JKED COC(=O)Cc1sc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)nc1-c1ccccc1 507554542 XCVIHHQQEFPDHR-UHFFFAOYSA-N 483.549 5.229 30 20 JKED CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 509587305 VMEQVJSPMQTNGD-FQEVSTJZSA-N 467.598 5.508 30 20 JKED C=CCn1c(SCC(=O)N(C)CC)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 509937278 IEJSGONVVDIMJP-UHFFFAOYSA-N 457.603 5.225 30 20 JKED C[C@@H]1CN(C(C)(C)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H](C)O1 510024002 QQOLNPBAPLSMGH-HMFYCAOWSA-N 455.002 5.005 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 510271022 OJRLWPFSKFSDNB-AWEZNQCLSA-N 484.375 5.240 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2nccn2C)cc1 510520405 KPUAGUHZYJPVHY-DEOSSOPVSA-N 453.502 5.004 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3cccc4ccccc34)c2)c1 510648550 VYKHEUULUNMXIL-MHZLTWQESA-N 460.537 6.333 30 20 JKED N#Cc1ccc(-n2c(SCc3cccc(C(=O)NCc4ccco4)c3)nc3ccccc3c2=O)cc1 510648972 QKAJGTNQHGPNSR-UHFFFAOYSA-N 492.560 5.073 30 20 JKED CCOc1ccccc1C(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510902248 KAUCHAWLODNFMJ-UHFFFAOYSA-N 484.556 5.048 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)c2)c1 511525389 ZQWBPYWLPDTFRP-UHFFFAOYSA-N 476.483 5.164 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 511773662 CJDDDXQPNHMBCI-KBMIEXCESA-N 453.542 5.289 30 20 JKED Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1NC(=O)c1ccco1 513874348 LMGCWODTYOAXIA-UHFFFAOYSA-N 482.515 6.085 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)n(Cc2ccccc2)c1C 514841385 KHGLAKQXZAKKAS-UHFFFAOYSA-N 482.613 5.214 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 515294610 KAAIINADBJUVRS-HNNXBMFYSA-N 453.420 5.235 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1 515506317 WWJBOWXQZSBRLG-UHFFFAOYSA-N 465.509 5.536 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 515613817 VSHUXLOCUPWRKB-ROUUACIJSA-N 498.052 5.129 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(OC(F)F)cc1 515894994 XCQVLOSKHIZXHF-AWEZNQCLSA-N 485.874 5.421 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 518128010 MEQBHHRYGMFZBM-INIZCTEOSA-N 460.584 5.158 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 518256450 WNPJNUVABGQGME-HNNXBMFYSA-N 469.998 5.827 30 20 JKED COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@H](C)C#N)cc(OC)c1OC 520094420 QAWZWQMQAQPXFH-RXWSAZGZSA-N 485.584 5.369 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1OCC 520221626 LGLZEXREULARAB-IRLDBZIGSA-N 464.375 5.562 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1C 520470543 UREUZNCUCHEIIQ-UHFFFAOYSA-N 460.541 5.876 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 520856833 TYBVFVINFKNOIU-KUHUBIRLSA-N 450.391 5.851 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)cc(OC)c1OC 521540038 FXBNHDLPLWAXAM-KRWDZBQOSA-N 496.995 5.351 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1oc2ccccc2c1CSc1ncccn1 521700432 AZYCNPZIMOWGLA-UHFFFAOYSA-N 467.472 5.315 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1Oc1ccccc1 522521527 MAZOZOJCMQCXLQ-INIZCTEOSA-N 483.446 5.108 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1Cl 522974120 PXZXRVVUJSFBBN-VUNKPPBISA-N 464.009 5.799 30 20 JKED COc1cc([C@H](C#N)NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc(OC)c1OC 524246556 VSGDILUESYNHIO-QHCPKHFHSA-N 487.531 5.313 30 20 JKED COc1cc(C(=O)Nc2ncccc2OCCCC#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 524275149 NHBBUJAEONSEFO-UHFFFAOYSA-N 482.880 5.379 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c12 590781622 ZXJFNFOMYORJIU-UHFFFAOYSA-N 455.474 5.585 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 603589399 ALOHTIHDRCZWQJ-HXUWFJFHSA-N 458.389 5.154 30 20 JKED C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 603758710 BVODIJUPLOGRCY-UWJYYQICSA-N 459.933 5.138 30 20 JKED CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 603984048 ZYCSOEIWROOLND-UHFFFAOYSA-N 477.586 5.117 30 20 JKED N#Cc1c(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)sc2c1-c1ccccc1CC2 603991997 LKHUWWNNYKEYGD-UHFFFAOYSA-N 460.946 5.660 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604422532 QKWAVMSPCQUJJF-IYBDPMFKSA-N 499.411 5.187 30 20 JKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 604554582 LTFXDBAQUGVLMI-JOCHJYFZSA-N 480.612 5.779 30 20 JKED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 608796809 NUUABDDQMBKFRC-MRXNPFEDSA-N 482.367 5.130 30 20 JKED COc1ccc(NC(=O)c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)cc1 608801840 DXPFLZGFGDAQKU-UHFFFAOYSA-N 467.481 5.243 30 20 JKED Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 608894740 PQRQTYQFVVUCKT-HSZRJFAPSA-N 470.960 5.083 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 608995304 IKDCWARQBYIJJD-UHFFFAOYSA-N 454.530 5.085 30 20 JKED CCc1c(C)sc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(OC)c2)c1C#N 609032771 GOJAEKFAJFIBFO-UHFFFAOYSA-N 465.600 5.482 30 20 JKED COc1cc(CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C2CC2)ccc1OC(F)F 609055637 LQBMNCLRADDEGO-UHFFFAOYSA-N 468.456 5.145 30 20 JKED N#C[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(OCc2ccccc2)cc1 609173062 KTCNNDPPXBPTNZ-FYYLOGMGSA-N 477.973 5.103 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 609439163 FIGHQQZHDGPLRD-MGPUTAFESA-N 477.552 5.942 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccccc5)cs4)cc3)o2)cc1 613392152 LCPULKCYPDIEIA-QFIPXVFZSA-N 462.534 6.326 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc12 613401528 BRZXNMVMDDDDLO-CQSZACIVSA-N 481.915 6.284 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1 615806895 VILUMRWNVDPWNH-UHFFFAOYSA-N 461.543 5.375 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccc(OC)cc1 685006899 FWSGNJAXMLSQGY-IBGZPJMESA-N 476.602 5.563 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 726402588 WUKYXZQZMCACNX-QRWLVFNGSA-N 459.999 5.034 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@@H](C)c1cccs1 726419959 KHMXRTOKMMTBNT-UTRNRQSPSA-N 494.082 5.382 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccccn3)C2=O)cc1 726420536 IPJXAVBARMCTNF-YUGFFRFOSA-N 494.642 5.132 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=S)Nc1ccc(C#N)c(Cl)c1 726444220 LPGLVIMFVNTNGL-UHFFFAOYSA-N 464.019 5.955 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)C(C)(C)CO)c2C#N)C(C)(C)C1 726669589 JAMPQAZJQKXZQV-VOTSOKGWSA-N 484.643 5.268 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1Cl 726891752 QJIXSZSYNGRRAK-HXUWFJFHSA-N 475.973 5.391 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)c1 728248097 FESXHMVZUPFDQA-UHFFFAOYSA-N 469.541 5.292 30 20 JKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728271020 SMSYCFKRXKHJBS-SFHVURJKSA-N 454.574 5.399 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ncccc3C)C2=O)cc1 729634669 QOKUJUMHOKNAOR-JOCHJYFZSA-N 479.005 5.512 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(C2CCC2)C1=O 730458512 AFXXSDPBDDAZLB-FQEVSTJZSA-N 457.983 5.170 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730460056 TXKCVZGDBRGYCV-SFHVURJKSA-N 465.472 5.357 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CC1 730525411 BFFMWCKFZFSTBP-LJQANCHMSA-N 472.408 5.134 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2Cc2cocn2)cc1 730713953 VVXNGLYASTYNGT-QHCPKHFHSA-N 491.617 5.025 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730932581 ROYZOLGVHBVBGF-UHFFFAOYSA-N 455.027 5.097 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730943684 JHEUGJZTLQUMEG-MBSDFSHPSA-N 493.032 6.073 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2ccc(Br)cc12 731063969 NYBJEJHHHVGBTO-ZDUSSCGKSA-N 487.375 5.694 30 20 JKED COCCCn1c(NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)nc2ccccc2c1=O 731152090 VRMAYZSLLPQGNO-UHFFFAOYSA-N 493.011 5.151 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1cccc(F)c1)c1cccs1 731311877 IIWWSYCNICGFME-PEIXWMAYSA-N 497.617 5.225 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cscn2)C1=O)Nc1cccc(O)c1 731312167 IPYPJRVFLFOCTK-JOCHJYFZSA-N 488.594 5.162 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H]2CCc3ccc(F)cc32)c1 731312966 UTVFZDFLFXRVQU-DQEYMECFSA-N 499.567 5.160 30 20 JKED COc1ccc(N2C(=O)/C(=C\Nc3ccccc3S[C@@H](C)CC#N)c3ccccc3C2=O)cc1OC 731338985 MTYUDWPUAPHCGK-LSOGNMMWSA-N 499.592 5.738 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 731404645 AYTWYXDDEXDXFG-IBGZPJMESA-N 464.635 5.105 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743449375 PSPROXXFZGNIIW-AWEZNQCLSA-N 498.363 6.393 30 20 JKED N#Cc1ccc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)cc1 746751182 QBTDUKVSEKJSJW-NDEPHWFRSA-N 473.532 5.277 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 751100363 NMNVPGOCEIHOFZ-UHFFFAOYSA-N 466.291 5.255 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O 799211364 LWCAYWVVGNNUGQ-MRXNPFEDSA-N 473.879 5.310 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(F)(F)F)C1=O 799214689 NNMOGRFOHZNKDZ-INIZCTEOSA-N 489.878 5.010 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CC(F)(F)F)cc1 799222036 WIGVRDNFQIBPAX-SFHVURJKSA-N 499.942 5.434 30 20 JKED COc1c(O)cccc1/C=C1\CC(C#N)(c2ccccc2)C/C(=C\c2cccc(O)c2OC)C1=O 810221251 DGXOIESSMWYIPG-NNFYUIBOSA-N 467.521 5.406 30 20 JKED N#Cc1ccc(F)c(COC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)c1 818159795 VGTFIFUHPRXHFA-UHFFFAOYSA-N 472.423 5.382 30 20 JKED N#C[C@@H](C(=O)CSc1nc(C2CC2)nn1-c1ccccc1)c1nc(-c2ccccc2)cs1 818376891 YAWQEYVCJFGOFH-IBGZPJMESA-N 457.584 5.237 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)c(Cl)c2)cn1 837485019 LSGFCLAGFZCXIS-HXUWFJFHSA-N 498.967 5.043 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 837784796 VPHVDQFYNHTFHK-KKSFZXQISA-N 464.978 5.457 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccccc2F)C1=O 837832116 MRXVOXCZQIHHBZ-HSZRJFAPSA-N 477.561 5.303 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2C)cc1 838039911 GQRCTIUWFROGAC-QHCPKHFHSA-N 477.561 5.303 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1C 858032718 XDQPYXUUKDXMLS-DEOSSOPVSA-N 469.589 5.037 30 20 JKED N#Cc1ccc(Br)c(CNc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1 864011331 BFENVAIUFMQCJA-UHFFFAOYSA-N 455.377 5.048 30 20 JKED CCc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3C)=C2C)cc1 904225128 XCKRUZWJJCJVPQ-AREMUKBSSA-N 466.610 5.778 30 20 JKED N#Cc1ccc(OCc2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)cc1Br 904478262 BDLGVTLLPYTCHI-UHFFFAOYSA-N 486.329 5.348 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(-c2nc(-c3ccncc3)no2)ccc1Cl 904578974 RKSFLDLZTGHHHQ-UHFFFAOYSA-N 487.368 5.487 30 20 JKED C[C@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 911525998 DDTOZWQWXFCISC-VIFPVBQESA-N 479.122 5.326 30 20 JKED CCc1ccccc1N/C(S)=C(/C(O)=C1C=CC(=NC(C)=O)C=C1)[n+]1ccc(C(CC)CC)cc1 912832215 ZTAQYOXJUDHIHS-UHFFFAOYSA-O 488.677 6.534 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 912844051 MMEQTMVRHSLHBY-RCZSKKKRSA-O 464.655 5.068 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 914538246 LNPJAJBYRWFKNM-OFNKIYASSA-N 472.614 5.098 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1Cl 914552085 SOSFWWUZDFIOGH-VGSWGCGISA-N 479.005 5.134 30 20 JKED N#C[C@@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc2cc(C(F)(F)F)ccc2s1 915104852 NODHGBGITJVDBQ-INIZCTEOSA-N 485.443 5.416 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1 915181089 WYOQOSOTRJYRBA-YYLNTILESA-N 488.576 5.694 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nc(C)c(SCC#N)s3)[C@@H]2c2cccs2)cc1 916088329 FUWZBKLTHPRHCB-FXAWDEMLSA-N 482.656 5.560 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccco3)C2=O)cc1 916204325 CDTLJWMJHJWRKH-OAQYLSRUSA-N 499.951 5.435 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1Cl 916212022 SYEYJHWKBNXJRA-FQEVSTJZSA-N 487.940 5.241 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)cc1 916214206 KVAGVMMBILXMMQ-QFIPXVFZSA-N 463.559 5.066 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1 916747372 ZPDYHKUSRCVCIJ-UHFFFAOYSA-N 458.564 5.122 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 916898484 BTOFGVVJWPLNOH-DYESRHJHSA-N 463.965 5.646 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 916914600 OPLFZPODVFCKQE-RUZDIDTESA-N 478.552 6.016 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 916930866 LMURZPXNNAMVPJ-KRWDZBQOSA-N 464.934 5.019 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 916949365 AVJKSSFCMQDYRT-NRFANRHFSA-N 454.404 5.467 30 20 JKED COc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996564 LGHHXCLTJCGHRO-YVEFUNNKSA-N 463.411 6.483 30 20 JKED CSc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)cc1 917043239 JBAXKDOULVYDBG-WBMJQRKESA-N 475.517 5.266 30 20 JKED N#C[C@H](C(=O)CCc1ccccc1Br)c1nc2cc(C(F)(F)F)ccc2s1 917045075 YAIKBBBNJCYOAT-CYBMUJFWSA-N 453.283 5.887 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cs1 917539646 DTZCWELJULBYDO-UHFFFAOYSA-N 468.995 5.219 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3ccc(Br)cc3C2=O)cs1 917560592 SAZKEJCLQHHULO-UVTDQMKNSA-N 487.350 5.778 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(SC3CCCC3)cc2)cs1 917560619 TUICAMXMSBBNSZ-LFIBNONCSA-N 462.640 7.067 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)cs1 917563654 RDLIOKNXAXOJIF-JAIQZWGSSA-N 483.018 5.990 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1F 917702934 XICYETIPLGQNOG-REWPJTCUSA-N 477.561 5.118 30 20 JKED CC(C)c1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)cc1 918311207 IOZJTRCFYOTKME-MHZLTWQESA-N 451.570 5.595 30 20 JKED N#Cc1ccc(S(=O)(=O)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C(F)(F)F)c1 918535675 INLIJWNZFYAIRA-UHFFFAOYSA-N 479.288 5.217 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3cccc(OCC#N)c3)c3c(C)nn(-c4ccccc4)c3n2)cc1 918596770 WLHMLUTYQOSTRR-UHFFFAOYSA-N 489.535 5.559 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1 919666408 KDQZEFPYDXJZNK-QHCPKHFHSA-N 459.571 5.233 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(ccc(Cl)c3Cl)C2=O)cs1 920066592 UOUMIAKHDCBTIA-ZROIWOOFSA-N 459.354 6.102 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1[C@H](C)c1ccccc1 920143514 XDCNEWBLIWDZEA-HOYKHHGWSA-N 450.567 6.200 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1 920326944 MMQVLEQUNFTTIU-IBGZPJMESA-N 461.518 5.416 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1csc(-c2ccc(Cl)s2)n1 920676192 QLVVWGUQLVPUFL-CYBMUJFWSA-N 475.979 5.026 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1OC 920868168 JDJVQBPKQBPWRS-MHECFPHRSA-N 491.613 5.091 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1C 920894052 KEHUHMMBNPDWMP-HHHXNRCGSA-N 498.608 5.205 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccnc(C)c3)cc2)CCC1)c1ccc(O)cc1 1786741783 KIXOTLBGLVKHGG-RUZDIDTESA-N 495.623 5.360 30 20 JKED CC(C)(C)OC(=O)NC12CCC(C(=O)NC3(c4ccc(NC(=O)CCC#N)cc4)CCC3)(CC1)CC2 1787887477 FAYPUTKOCUZMIB-UHFFFAOYSA-N 494.636 5.042 30 20 JKED CNc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)cc1 1788001298 TWADTJZMBZEKJW-UHFFFAOYSA-N 492.501 5.680 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@@H]3CCCCC3(F)F)CCC2)cc1 1788649830 XXTAYHFIKNTPQW-CVTTXWKISA-N 472.557 5.447 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(C)(C)C)s3)cc2)CCC1 1788822349 UCYORMKJNFLDOK-UHFFFAOYSA-N 466.651 5.075 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)CCC2)c(Cl)c1 1788898416 YKJXVIILPPUKMN-UHFFFAOYSA-N 473.916 5.002 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ncsc4[nH]3)CCC2)cc1 1789508146 QLOQZEMXVVWIEO-UHFFFAOYSA-N 478.694 5.423 30 20 JKED Cc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)c[nH]2)cc1 1789576584 QQJZKRUTNKNBOD-UXHLAJHPSA-N 480.568 5.450 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)c1 1790075811 NFBIPVMKFKTJAC-HLAWJBBLSA-N 457.574 5.141 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)c(Cl)c4)CCC3)cc2)cc1 1790290271 PTGUUGFQNRLWLH-UHFFFAOYSA-N 465.340 5.322 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](NC(C)=O)c3ccc(F)cc3)cc2)CCC1 1790361814 VPIKQUYWDXJWFA-XMMPIXPASA-N 479.596 5.129 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)c(C#N)c1 1790474827 FIWUBQJQOHIKIT-RZUBCFFCSA-N 471.601 5.070 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1790512616 MOOPECCOFNTTSQ-UHFFFAOYSA-N 479.964 5.078 30 20 JKED COc1cc2c(O)cccc2cc1C(=O)NC1(c2ccc(NC(=O)[C@@H](C)ON=C(C)C)cc2)CCC1 1790568062 QXAYXMQDNSWQEM-GOSISDBHSA-N 489.572 5.103 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC(=O)Nc4ccc(F)cc4)CCC3)cc2)c1 1792124754 GRDAJVIIQWYYLO-IBGZPJMESA-N 498.558 5.229 30 20 JKED Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/C(=O)c2cccs2)c2ccccc12 1796897545 HWNSAIOZIRDUSR-QKIDFXKVSA-N 486.637 5.220 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(ccc4ncccc43)s2)c1 1799122972 XARHDASQPUGXHA-MVWVFHAYSA-N 494.620 5.642 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[C@@H]2c2cccnc2)C1 1802414110 WUDKYAYCMLNPNO-KDYSTLNUSA-N 480.568 5.109 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1803077092 HTYUYADTGYVNQY-RDGATRHJSA-N 463.622 5.369 30 20 JKED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1803524187 SDJOTUGHGBUTDZ-FZDIXFNVSA-N 478.536 5.068 30 20 JKED Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc([C@H](C)C#N)c3)c[nH]2)cc1 1803673937 YNJXCTHVQFLBLT-NEBIIKFJSA-N 466.585 5.183 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1805048620 ROVQHNXRUWMJNC-HXUWFJFHSA-N 481.040 5.022 30 20 JKED N#Cc1cc(C(=O)N2CC[C@H](CNC(=O)/C=C/C3CCCC3)[C@@H]2c2cccnc2)cc(C(F)(F)F)c1 1808494488 RCNCBOZKXMMGML-KDRQCPBVSA-N 496.533 5.038 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)oc2ccccc12 1809159856 WGSRGNLKQORZHD-WXVAWEFUSA-N 497.982 5.161 30 20 JKED Cc1cc2cccc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)c2[nH]1 1809269372 BIBDZLCDFPUSTE-LVXARBLLSA-N 497.986 5.030 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)C2)CC1 1810439623 DDXJEMFBTIOEFR-UHFFFAOYSA-N 492.570 5.286 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810499422 YBPUYDWGEZNSPL-CGBRIMPHSA-N 480.052 5.537 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2Cl)N(C)C)[C@H]1c1cccnc1 1810502350 ICEUHOADHAGUHJ-GVXSCFBNSA-N 497.083 5.036 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1811205524 APCWPXTYVMZQLO-NFBKMPQASA-N 454.014 5.355 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811252851 ZMUYRHKBZZDPND-LOAGWBBBSA-N 489.619 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2F)[C@@H]1c1cccnc1 1811401548 GFHVBLWVWPNIQW-RDPSFJRHSA-N 462.569 5.014 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)s1 1811424035 FWLPTVCWDITFQV-LXAKAXFHSA-N 491.016 5.010 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1811794840 UXACGLUIPHHAJQ-ZYKOEDHHSA-N 496.995 5.040 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4)[C@H]3c3cccnc3)sc2c1 1811797630 YGQUJHOMQZKFJS-JYFHCDHNSA-N 480.593 5.110 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3c(F)c(F)ccc3c2)[C@@H]1c1cccnc1 1812241579 STJMFOUJAHBXCX-NLFFAJNJSA-N 492.570 5.220 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1813230177 GEYPQJLXOWYKGJ-SUYBVONHSA-N 481.640 5.375 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1)C(F)(F)F 1813955462 TURAOZVXFWLJKN-BJKOFHAPSA-N 479.502 5.187 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1)C(F)(F)F 1813955464 TURAOZVXFWLJKN-DNQXCXABSA-N 479.502 5.187 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813977090 YOGFOOOJNJFXEQ-XPGWFJOJSA-N 499.986 5.028 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)[nH]n1 1814440496 TUVZFQATYYTOQB-JOCHJYFZSA-N 465.573 5.188 30 20 JKED Cc1c(Cl)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1814599154 DKAKJAUBSRWDCW-NRFANRHFSA-N 465.916 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n[nH]1 1814719575 DRSKTKBRQFKNLA-YYTDSSBASA-N 450.558 5.113 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815246442 LIKYCJJURJDHCE-ISKFKSNPSA-N 478.618 5.462 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)oc2C(F)(F)F)n[nH]1 1816468611 CIAAXEZCMVYDBS-KRWDZBQOSA-N 466.504 5.628 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)oc2ccccc12 1818116114 WFFXUGVNKFBFOC-CVTTXWKISA-N 488.569 5.271 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(C)noc3-c3ccccc3)n[nH]2)c1 1818144843 NBFOXVUVPUDCDT-HSZRJFAPSA-N 494.555 5.173 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)c1 1818595625 IMZKUDUCWGLTLZ-HXUWFJFHSA-N 473.533 5.255 30 20 JKED Cc1nc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)ccc2s1 1818698709 CNLCVQGVWJEVJD-QHCPKHFHSA-N 498.612 5.138 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224045 BADHJHIVZJRIDD-IIBYNOLFSA-N 465.985 5.619 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)[nH]n1 1819309956 LXPHHKRIIUOTCE-FPOVZHCZSA-N 474.527 5.432 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1819493660 RLCXDMBFSFPYDW-RGCVBCPRSA-N 471.561 5.348 30 20 JKED CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)c2ccccc12 1820485331 HOTWLHUETDYLHF-SANMLTNESA-N 492.583 5.120 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(Cl)cc4)CC3)n[nH]2)c1 1821840465 NJLDQFVKLNJIBX-QFIPXVFZSA-N 491.954 5.112 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1)C(F)(F)F 1821992219 LDDODDVVTUEDIZ-KRWDZBQOSA-N 499.415 5.334 30 20 JKED CC(C)C1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)CCC1 1823065971 VQBROTJJXNWRPV-LJQANCHMSA-N 453.974 5.067 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212737 MXMNJCKFFSFBKC-MWTRTKDXSA-N 475.980 5.618 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 1823752877 QEVQEADJOYOBHS-HSZRJFAPSA-N 494.705 5.739 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)C23CC(F)(C2)C3)CC1 1824583819 WFAYEBKSLWKKML-MRAVXTPNSA-N 484.615 5.212 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825768031 YQVWGSDGQGBHIT-XMMPIXPASA-N 461.606 5.077 30 20 JKED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)CC2 1826060563 LOHOTJXQNVRQBP-CYBMUJFWSA-N 468.406 5.039 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1)c1cccs1 1828009850 HQZALTCTZUEAIH-AKNQKSQZSA-N 486.637 5.574 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)ccc2c1 1828087845 WBKKSRIMLSBECX-MHZLTWQESA-N 484.575 5.101 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828163330 DNSAUGUUQALCID-GGAORHGYSA-N 474.070 5.076 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1 1828672866 KWYHWYXMYUCXIZ-FYYLOGMGSA-N 451.636 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 1828824971 QWHIWKBDLWPXGX-QTZVNIFKSA-N 470.604 5.456 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1 1828826742 LFVSXXTYVUWBIB-RBBKRZOGSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1828826831 CPWVLHPJUSEEGW-NFBKMPQASA-N 471.573 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2OC)CC1 1828829724 MVNXAYJWXZVTMT-IRLDBZIGSA-N 459.030 5.350 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ncsc3[nH]2)CC1)c1ccccc1 1829033630 YCHZAKMKCVVQLU-RDGATRHJSA-N 488.657 5.055 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccccc2F)CC1)c1ccccc1 1829035050 KBBLZUDLMILUPG-AHKZPQOWSA-N 490.619 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1829233829 AVPFJBYKHRMYNC-HXOBKFHXSA-N 499.442 5.563 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSC3CCCC3)CC2)c1Cl 1829685624 KXBRXBKXNQTKLW-JOCHJYFZSA-N 474.070 5.121 30 20 JKED Cn1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc2ccccc21 1829690367 YQQUIPYTFAMPFF-XMMPIXPASA-N 489.019 5.250 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829971605 LRQKIAQZUFTBEQ-HXUWFJFHSA-N 455.451 5.146 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830475723 UNUANGJLUHEYQF-LJQANCHMSA-N 460.899 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(O)c2)CC1 1830580484 DBMJVBSSIMQJDF-OAQYLSRUSA-N 491.470 5.380 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830723397 HHOIIJQZFYXVFY-VWLOTQADSA-N 496.076 5.410 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCC3)CC2)cc(C(F)(F)F)c1 1830755131 QXJAMZNKHKRIJN-HSZRJFAPSA-N 475.555 5.391 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc(C(F)(F)F)c1 1830755976 PXICUEQVAQQQTB-NZQKXSOJSA-N 473.539 5.167 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1C 1830769960 GPCCACFHZOINIL-SANMLTNESA-N 473.617 5.039 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831291411 YKLJELQYKNIZBE-XMMPIXPASA-N 455.042 5.185 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1831577377 HUFXBRCDWGHLBV-KZEJMIKBSA-N 460.707 5.074 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1831840131 BYYGRMHBLZXTSW-KSSFIOAISA-N 451.057 5.106 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831927120 LECFSBCOXNVLST-HUSNPGIHSA-N 490.688 5.335 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4cc(F)ccc4s3)CC2)CC1 1835565340 PWBQURAFWZCVAE-UHFFFAOYSA-N 485.669 5.218 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1835684213 PEJLXBMBRWBAMA-LJAQVGFWSA-N 485.672 5.307 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(N(C)C)cc2)c(Cl)c1 10178915 CXCIVHQGHABOLL-UHFFFAOYSA-O 473.087 6.040 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)cc2)cc1 10832423 UPUNAEFQSYGRDJ-UHFFFAOYSA-O 459.969 6.254 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(N(C)C)cc2)c(C)s1 11159777 JYQLRUUXPUMMHD-UHFFFAOYSA-O 479.478 6.076 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 11198682 UAFKEWIPVFHJJF-UHFFFAOYSA-N 465.585 5.738 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 11250994 UUASPNCYBQMUPH-UHFFFAOYSA-O 495.624 5.793 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(CC#N)cc2)c1 17368336 VYLBTWVYRLSOIU-UHFFFAOYSA-N 495.988 5.048 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CC[C@H](C)C3 20039199 YUQTUWQTDIEXDG-LSDHHAIUSA-N 464.616 5.672 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2scc(-c3cccs3)c2c1=O 20076400 PSNNGJKDHBABLI-CQSZACIVSA-N 478.624 6.276 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2OC)[n+]2ccc(C(C)(C)C)cc2)cc1 22686066 FKRXSFXYCWPXHY-UHFFFAOYSA-O 463.623 5.730 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2cccc(C)c2)c1C 22729859 QNPYUUKPNDOHIE-UHFFFAOYSA-O 464.611 5.072 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1 27467614 SAFKGZZPXFLVFM-UHFFFAOYSA-N 468.962 5.176 30 20 JKED CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2C[C@H]1C 28679395 LHTYBCQMRXADLM-MWTRTKDXSA-N 479.989 5.094 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc3c(c2)CCCC3)c1C 28793428 DMRGEIKGBYNNRI-UHFFFAOYSA-O 490.649 5.334 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc3c(c2)CCCC3)c1 28793815 HLZWCNHKKSQJPG-UHFFFAOYSA-O 474.650 5.614 30 20 JKED C=CCn1c(SCc2csc(Cc3ccccc3)n2)nnc1[C@H]1COc2ccccc2O1 31649678 CGDBTFORCOLOJB-OAQYLSRUSA-N 462.600 5.316 30 20 JKED CCOc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OCc1cccnc1 31910635 YFEMDHFCLJQINZ-UHFFFAOYSA-N 470.554 5.231 30 20 JKED CCCCCCCCCCCCOC(=O)C[C@@H](S)C(=O)OCCCCCCCCCCCC 95876217 CMMCURXIPYQGBX-AREMUKBSSA-N 486.803 8.603 30 20 JKED COc1ccc2c(c1)c(CC(=O)Nc1cc(C#N)ccc1OC)c(C)n2C(=O)c1ccc(Cl)cc1 109554336 MJTBTWINXWVOSP-UHFFFAOYSA-N 487.943 5.362 30 20 JKED Cc1ccc(-n2c(-c3ccc(C#N)cc3)cc3c2cc(-c2ccc(C#N)cc2)n3-c2ccc(C)cc2)cc1 218271996 HPHQNNMHQAIRSX-UHFFFAOYSA-N 488.594 8.115 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 255930659 MAEDMFZEIYCBBZ-UHFFFAOYSA-N 474.373 5.692 30 20 JKED Cc1cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)ccc1Br 301217652 FOKYNHKINFBCIQ-UHFFFAOYSA-N 480.387 5.612 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 485463606 DGROMMNAQRUEJR-UHFFFAOYSA-N 478.581 5.598 30 20 JKED C=CCN(C(=O)c1oc2c(Cl)cccc2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491049291 KAKLHVDCKJHPJC-UHFFFAOYSA-N 487.002 5.754 30 20 JKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 501605121 SJAZBWYODMGHOD-GOSISDBHSA-N 453.011 5.328 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCc3ccccc3C(F)(F)F)c2)c1 506262497 PKJKARCVOCHMGA-UHFFFAOYSA-N 452.436 5.194 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)cc2Cl)cc1 506381012 MWXQFPXBGAOLEZ-QHCPKHFHSA-N 489.959 5.150 30 20 JKED CN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 511286136 HUFKAKCKVNMYMG-FQEVSTJZSA-N 452.341 5.246 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 514562785 XNQRIMRSYBZDIT-UHFFFAOYSA-N 451.983 5.068 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc(-c2ccncc2)cs1 517892363 UUXOEDHRHALNLB-QFIPXVFZSA-N 451.507 6.020 30 20 JKED N#Cc1c(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)sc2c1CCC2 518168907 FVJHBUNZXYUQHI-UHFFFAOYSA-N 466.360 5.376 30 20 JKED N#Cc1cccc(COc2cccc(CNCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)c2)c1 518276595 DUQVUSQSXXOLBB-UHFFFAOYSA-N 462.475 5.632 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 519414523 LRSDMXZXLLIMSG-LJQANCHMSA-N 492.674 5.240 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)N1CCCCC1 520194975 NXZKUSZBOMDEPJ-KNQAVFIVSA-N 452.624 5.438 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524389553 NWWAOLBNPUBKMO-UHFFFAOYSA-N 491.956 6.258 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1 524571911 YEZOHAUEXJVEEN-UHFFFAOYSA-N 483.391 5.238 30 20 JKED C=CCCc1nc2sc3c(c2c(-c2ccc(C)cc2)c1Br)CCN(C(C)=O)C3 541586841 GDNMDOKNXOAQHN-UHFFFAOYSA-N 455.421 6.057 30 20 JKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 564662039 LTMUYDMSLRXWJO-RTBURBONSA-N 473.019 5.190 30 20 JKED C=C(C)COc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)c1 589552775 ISIMTIYPJAWLQJ-AREMUKBSSA-N 487.987 5.756 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1ccc(C#N)c(Cl)c1 589939271 AKJKQLWAFXWSDU-UHFFFAOYSA-N 488.400 5.342 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Sc1ccc(Br)cc1 603959683 POMYVZQIGNEAEF-OAHLLOKOSA-N 468.376 5.936 30 20 JKED COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1NC(=O)c1ccc(Cl)cc1F 603997666 CBMGCNFMGIXMGQ-AWEZNQCLSA-N 467.884 5.018 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(NC(=O)NC4CC4)c3)s2)c(C(F)(F)F)c1 604086420 LVQALIJGICEMJO-UHFFFAOYSA-N 485.491 5.161 30 20 JKED Cc1ccc(CSCCNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604135546 QNXFDEKHLWXRTJ-QHCPKHFHSA-N 478.017 5.292 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3cccs3)cc2Cl)cc1 604160323 WUMNTRHTYJPGPM-LJQANCHMSA-N 451.935 5.368 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Oc5ccc(C#N)cc5)nc4)nc(O)c23)C1 604241576 AFEIQODXTWDCHO-HNNXBMFYSA-N 485.569 5.152 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc(I)cc3Cl)c2C#N)C1 609054541 WEHMWRMQOZBYDG-SECBINFHSA-N 456.736 5.255 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1cccs1 609086399 FQTXMURLTVEABN-UHFFFAOYSA-N 485.565 5.268 30 20 JKED CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609164178 ICZUPSITQPOPPP-OZXSUGGESA-N 470.960 5.163 30 20 JKED Cc1nc(CCC(=O)Nc2ccccc2SCCC#N)oc1-c1ccc(Br)cc1 609378737 JQJILQNZJKKMST-UHFFFAOYSA-N 470.392 5.990 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 609403416 UTXBTHYQOXPWMV-KRWDZBQOSA-N 456.011 5.158 30 20 JKED C=CCn1c(SCc2csc(-c3cccs3)n2)nnc1[C@@H]1COc2ccccc2O1 612653219 WWOVWVMUJBWCTG-KRWDZBQOSA-N 454.602 5.454 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)C1CCCCC1 613407554 YQTOCTYNOSTBJG-LJQANCHMSA-N 498.073 6.323 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 614919777 DDJQUASEAMQVTO-UHFFFAOYSA-N 460.555 5.394 30 20 JKED C[C@](O)(C1CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F 622515755 DIHOFYIYFUCCCB-FQEVSTJZSA-N 463.393 5.677 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1NC(=O)c1ccco1 642281857 UQPORVHLIPXXCY-QGZVFWFLSA-N 496.375 6.761 30 20 JKED C=CCOc1c(Br)cc(CNCc2csc(Br)c2)cc1OCC 642342639 VCBPXCNHYDAZGP-UHFFFAOYSA-N 461.219 5.526 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)c(C(F)(F)F)c1)c1ccc(F)cc1 643190668 IGQMKXKITLIECN-UHFFFAOYSA-N 471.332 5.763 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(Br)cc3)n2)nnc1-c1ccncc1 645073665 DMHFGWCJQNBQIV-UHFFFAOYSA-N 470.421 5.704 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CC)C1=O 726415565 MBTODBPSZPUXSQ-JOCHJYFZSA-N 469.607 5.243 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)c1 726423515 ZVMJWVXSRBHGAL-OVKZZRKASA-N 492.670 5.658 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NCc2cccc(C(F)(F)F)c2)[n+]2ccc(C)cc2)N=C1C 726569607 BMTYTHMAVUKNAN-UHFFFAOYSA-O 488.555 5.297 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)s2)cc1 726571422 IEHWUEGIWDSQMT-UHFFFAOYSA-O 461.419 6.100 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(CCc2ccccc2)Cc2ccncc2)c1=S 726964602 UPWXKSGNPKJVKS-AREMUKBSSA-N 499.640 5.210 30 20 JKED N#CCOc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 727678373 BVLHRSRMRZKFNE-UHFFFAOYSA-N 456.933 5.084 30 20 JKED N#CCOc1cccc(/C=C2\CC(c3ccccc3)C/C(=C\c3cccc(OCC#N)c3)C2=O)c1 727744190 CWMHPROAXZHURY-CTVDDJEBSA-N 460.533 6.105 30 20 JKED COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2)cc1 728110449 LTAYISDJHYXKHS-AREMUKBSSA-N 482.492 5.276 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2F)c1 728393169 SJNXWFWKSNJQSS-UHFFFAOYSA-N 468.532 6.169 30 20 JKED COc1ccccc1[C@@H](C)CC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 728662395 GKAOVDWCBVBZKT-KRWDZBQOSA-N 451.567 5.166 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)cc1 728777723 NFCJQFBXEGORSF-QFIPXVFZSA-N 466.582 5.603 30 20 JKED C=CCn1c(SCC(=O)N(C)c2ccc(N(C)C)cc2)nnc1-c1ccc(Cl)cc1Cl 728841115 GDVHNUMZTHZSBR-UHFFFAOYSA-N 476.433 5.259 30 20 JKED CC(C)n1ncc2cc(/C=C\C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c(=O)[nH]c21 729319407 JZIOBJZBEQWFTR-KKCDMYQCSA-N 471.948 5.266 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)c(C#N)c(C)c1C 729655119 GHWVCJIHFXPRKL-UHFFFAOYSA-N 494.539 5.975 30 20 JKED CC(C)(C)OC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)ccc21 729666836 DGFLVIXQIHTEMY-UHFFFAOYSA-N 481.496 5.066 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)cc1C 730441864 NICROYATSQZVBG-HSZRJFAPSA-N 494.592 5.250 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(F)c2)c(C)s1 730719030 VHFWYCGFFBIBDE-QRWLVFNGSA-N 497.621 5.324 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1 730727948 XYMPUWCOWHCHII-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)S/C2=N/[C@@H](C)c2cccs2)s1 730730531 WPKFGSDKPKHZPC-GBYXBQFISA-N 485.660 5.059 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)[C@H](O)C3CC3)c2C#N)C(C)(C)C1 730882469 FTNAVUVIBMPMGN-HXRGIAOBSA-N 482.627 5.020 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943581 GQKRFFGAQWZGGZ-MHECFPHRSA-N 486.597 5.314 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1cccs1 731063121 INOFXPDQYAQJRO-MRXNPFEDSA-N 464.568 5.169 30 20 JKED Cc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c3c2CCC3)c(C)c1 731078245 NSLJMIGHVKGVDA-GOSISDBHSA-N 488.613 5.025 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 731078830 RGDWQWSOGNHCKW-FHLIZLRMSA-N 473.392 5.129 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)CCc2ccco2)c1 731313542 ZCQGFGVUKHVGHC-UZUQRXQVSA-N 495.576 5.414 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2sccc2-c2ccc(F)cc2)n(Cc2ccco2)c1C 744607467 DWQGHKLPJHWGDO-UHFFFAOYSA-N 477.517 5.281 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)ccc1Oc1ccc(Cl)cc1Cl 745302296 IFTCJPFMBXZHGW-UHFFFAOYSA-N 484.339 5.251 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)cc2F)C1=O 745583301 DPDLOAILHPHWQL-JOCHJYFZSA-N 499.514 5.273 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC(F)(F)F)cc1 746972959 PDMTYULCWIBWBF-QGZVFWFLSA-N 469.460 5.095 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)cs2)cc1 749314668 DVANSQYJAAPPTR-UHFFFAOYSA-N 483.977 5.354 30 20 JKED C=CCn1c(SCC(=O)OCc2csc(C)n2)nnc1-c1ccc(Cl)cc1Cl 771742979 KMZXKKFUCUSLHW-UHFFFAOYSA-N 455.392 5.038 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(F)(F)F)c1 799213623 XSAHLOOZLPMQMI-FQEVSTJZSA-N 487.503 5.371 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C3CC3)CC2)c1 837448796 MXQGQXFEYNSHQR-XMMPIXPASA-N 494.636 5.030 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1OC 838494724 JGYGDKGGZQAWPY-LJQANCHMSA-N 490.969 5.017 30 20 JKED C[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)ccc1Cl 849207729 JSUFPXUIRJBCNA-MRXNPFEDSA-N 489.380 5.458 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)cc2)cc1 914046344 DXQOCJIWPJGBPY-JCMHNJIXSA-N 490.631 5.874 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)Cc2ccco2)c1 914690605 AGXHYRINGXVQDD-NYHFZMIOSA-N 499.539 5.158 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2cccc(F)c2)C1=O 914773035 VUUYZFAZJKDEHQ-HSZRJFAPSA-N 477.561 5.303 30 20 JKED Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1NC(=O)c1ccccc1F 915283335 MEVNOGNZWOJCAC-RUZDIDTESA-N 463.512 6.294 30 20 JKED COCCOc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc1OC 915993474 QYZLGCUMMRMIDB-ZHACJKMWSA-N 454.954 5.132 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(OC(F)F)cc1 916210808 JLZTYIBZLVQVHK-SFHVURJKSA-N 495.935 5.096 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2ccco2)C1=O 916212807 YVEZSJHWEIYNRH-QFIPXVFZSA-N 463.559 5.066 30 20 JKED COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(Cl)cccc2Cl)cc1 916259023 QJBRHJDBMQGKRP-UHFFFAOYSA-N 495.344 5.157 30 20 JKED COc1ccc(C(=O)Nc2cccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)c2)cc1 916546330 LSDQXWGXKOMYIF-UHFFFAOYSA-N 477.977 5.367 30 20 JKED N#C[C@H](C(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1)c1ccc2ccccc2n1 916849554 XUYPVSLMKIVUFF-NVQXNPDNSA-N 498.380 5.274 30 20 JKED C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(SC(F)F)cc4)cc3c2C1 916887448 OMXVJBGZCVZGLN-YJYMSZOUSA-N 453.514 5.569 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OCC 916902261 XBZNFAYCDNHEES-HNNXBMFYSA-N 479.360 5.459 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916902578 ZWOZUPWYNKVXLB-ZDUSSCGKSA-N 465.918 5.488 30 20 JKED COCc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2cccc(F)c12 916945041 QVRRXOAHCQRLDL-ZDUSSCGKSA-N 451.306 5.455 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 917021032 RGVZJAQOOMZQBF-QHCPKHFHSA-N 492.000 5.295 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)c1 917044960 WGLAAYAEQXDASL-LPHOPBHVSA-N 485.531 5.661 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)c2ccccc2)n1 917254832 ZYZDFNFWOAUSAC-FXAWDEMLSA-N 459.600 5.288 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 917506493 ZQGJBCGYGSFDMJ-JOCHJYFZSA-N 499.542 5.620 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2S[C@@H](C#N)Cc2ccccc2)cc1 917830319 OFIVAQNTTWEDFI-QPHMKDBKSA-N 467.550 5.336 30 20 JKED CC(=O)C1=C(c2ccc(C)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1ccc(S(C)(=O)=O)cc1 918169346 DIOYJAPPYOLDBA-VWLOTQADSA-N 492.572 5.117 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920109816 JILGNLPNOJRURG-MAUKXSAKSA-N 483.977 5.363 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2cccnc2)c1 920317541 NCBLSXVYTFXDIC-MRXNPFEDSA-N 490.412 5.261 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)c(F)c2)C1=O 920357198 WETPRKTXTHMNKW-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CSc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)cc1 920806744 PEXCXGCCAOFCNP-CZUORRHYSA-N 469.538 5.040 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc2ccccc12 920866410 AZHDYTBQTMCDBN-UUOWRZLLSA-N 491.613 5.091 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CCO2)C1 1779243876 FIQFWSZLEFWZGQ-KMRXNPHXSA-N 498.067 5.064 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)C1 1780016989 DXOZIIRJOWNQLX-WJPVBLRZSA-N 491.657 5.236 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1781740882 JOPYJGNRZVAROF-IJYYRHRFSA-N 496.598 5.224 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)ccc4Br)CCC3)cc2)C1 1785803489 NACOQCYIESBKEX-UHFFFAOYSA-N 457.343 5.302 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CC[C@]3(F)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786283131 SSWVCSITYJFHQN-AREMUKBSSA-N 487.616 5.216 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(OC)c(Br)c3)cc2)CCC1 1786288145 PLYJCADBFDKLLD-UHFFFAOYSA-N 471.395 5.101 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)nc4)cc3)CCC2)c1 1787428623 WZKKQWZNUWBZBH-KRWDZBQOSA-N 492.501 5.789 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787952142 WMKFCNBCGWVGAS-CGBRIMPHSA-N 477.674 5.453 30 20 JKED Cn1c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc2ccccc21 1788885772 BIEJPEAQBMSFDX-UHFFFAOYSA-N 462.553 5.306 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)CCC2)cc1 1789622218 CAKWKQKZVIZOQG-SFHVURJKSA-N 457.615 5.026 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1)C(F)(F)F 1789937710 ANXKCSHRSVNQHI-UHFFFAOYSA-N 465.475 5.615 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nccc(Cl)c3OC)cc2)CCC1 1790142678 FDYJNBICBRTAMB-IBGZPJMESA-N 453.970 5.260 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)CCC3)cc2)c1 1790256306 YVQFFURTVLGBLZ-MYKRZTLLSA-N 490.607 5.684 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Br)cc3)cc2)CCC1 1790471609 KFLCKCSKBHUAIP-UHFFFAOYSA-N 471.395 5.318 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4csc5c4CCCO5)CCC3)cc2)c1 1790762538 IXAXCEZZWDAEDX-UHFFFAOYSA-N 475.545 5.145 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5[nH]ccc45)CCC3)cc2)c(Cl)c1 1790767071 LDALQEFJRRCTQD-UHFFFAOYSA-N 469.932 5.149 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)C(F)F)CCC3)cc2)cc(C(F)(F)F)c1 1790817218 OOZBHWLKGLJEQI-UHFFFAOYSA-N 492.391 5.362 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cccc6ccncc56)cc4)CCC3)c2c1 1790859927 PMZNVBRLBHHFFF-UHFFFAOYSA-N 486.535 5.044 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3nn(C(=O)OC(C)(C)C)c4ccc(F)cc34)cc2)CCC1 1790903615 KTBVVFHDFPXFMI-UHFFFAOYSA-N 492.551 5.282 30 20 JKED COc1ccc(Cl)cc1CC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1791186194 ZTZVUIDPYZWECY-UHFFFAOYSA-N 487.987 5.140 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(Br)cc3F)cc2)CCC1 1791197296 AJYRASQDLSAYTI-UHFFFAOYSA-N 471.370 5.068 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C4(C)CCC(NC(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1791478937 NZODVRUVHCGYDI-UHFFFAOYSA-N 495.664 5.560 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(C(C)=O)cc3)CCC2)cc1 1791726562 YHWAVZGSWZJCCG-UHFFFAOYSA-N 474.601 5.376 30 20 JKED C[C@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791913652 OICVZAOCEQQILE-UXHICEINSA-N 455.558 5.533 30 20 JKED COc1ccc(F)cc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124223 PRJCWCKVOJCRRV-SFHVURJKSA-N 471.532 5.523 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)C1 1804866586 IRINMVTUIYFQJW-UHFFFAOYSA-N 487.644 6.265 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1806594897 XLUTWDTWCDPMNY-PFATUAPWSA-N 485.550 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC[C@@H]2CNc3ccccc3C2)[C@H]1c1cccnc1 1807212113 KGYPBERQTLVZKF-UTOLSJPLSA-N 488.676 5.144 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1808707267 CNMBVMOPZMMXPL-NNMXDRDESA-N 475.511 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1810175545 LGZVZUZMHYMBSA-BGWNEDDSSA-N 451.998 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810432518 ZYHVUEBHFUBQOF-LLGBQNBKSA-N 491.607 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810502721 LBDWYGJXAYVREU-VGOFRKELSA-N 475.967 5.325 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811721829 OBFNCLITNLZYTI-VBANMALSSA-N 469.585 5.406 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1812129597 UPSAGVYSWVCUDV-DCLXLUIPSA-N 462.619 5.021 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c(C)c1 1813869695 MVWFYOHUFUDZBG-MDBQKXLBSA-N 480.612 5.267 30 20 JKED CCOc1ccsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814343501 COAWOHHCVWMLTJ-KRWDZBQOSA-N 483.981 5.015 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2)[nH]n1 1819309252 PXFCDNDVMLRAAB-UYAOXDASSA-N 458.509 5.085 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c1Cl 1820222752 GAJPXOFJGXCWJJ-JOCHJYFZSA-N 473.964 5.432 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820224066 ZBPGBTCKNLKNKT-GOSISDBHSA-N 498.370 5.216 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437246 BNUDZYGUCAEZDA-LADGPHEKSA-N 488.588 5.081 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3F)n[nH]2)cc1 1821087553 COIBODHGFLUEML-LJQANCHMSA-N 485.441 5.059 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821108484 SJAGGVFOMNVGMZ-WMZOPIPTSA-N 499.862 5.086 30 20 JKED Cc1cccc(Cl)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1821145800 DBSQXPBURBLSMI-JTSKRJEESA-N 475.980 5.618 30 20 JKED Cc1cccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)c1 1821308783 GCYOOHNYVSMPMQ-JOCHJYFZSA-N 495.505 5.157 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523733 BBGFHEHIZXUXDD-QHCPKHFHSA-N 483.572 5.651 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc(Br)cnc23)n[nH]1 1821548874 DSXBFMIZOOJXKE-QRWLVFNGSA-N 496.409 5.239 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)[nH]n1 1822582620 PCJROKYZUWUMMJ-JOCHJYFZSA-N 493.608 5.256 30 20 JKED Cc1cc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1F 1823203333 BESHJUKHQNSOLN-OAQYLSRUSA-N 483.906 5.141 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(F)(F)F)[nH]n2)c1 1823211189 KGROZHDUEUHOKP-VFNWGFHPSA-N 496.493 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)[nH]n2)c1 1823212024 RUQIKGHEZPEJLC-UZUQRXQVSA-N 475.980 5.239 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)c3ccccc3)n[nH]2)c1 1823496422 HOLIWJHXNDSWOO-IMWIBFENSA-N 455.562 5.146 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 1823888437 ZTDPHYHVTHMSRK-GOSISDBHSA-N 485.934 5.022 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1824056647 YJBBDZRNTPPTLS-HSZRJFAPSA-N 499.989 5.356 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1Cl 1824642848 XARFEKUGTJMOGQ-HLJPNSHOSA-N 493.957 5.178 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1)c1ccc(O)cc1 1824876333 YEOJLCQEQFCGQJ-ISKFKSNPSA-N 492.582 5.242 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccsc3)CC2)c1Cl 1825300416 BWXUYGUAJIHTFV-DORXLWPQSA-N 468.022 5.220 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)c1 1827329293 ZKCCJISEMFTHIB-UIOOFZCWSA-N 479.690 5.245 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732654 HTWNQEJBSVCDHU-URXFXBBRSA-N 489.081 5.788 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1827761851 AIPILXRIAPCHLO-LJAQVGFWSA-N 492.623 5.362 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1827925118 UIDIPIGLKQDOJE-AREMUKBSSA-N 498.652 5.423 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1)c1ccccc1 1828653362 WSXCEMHVBJDEIA-PQHLKRTFSA-N 493.651 5.665 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)CC2)c1 1828713202 FKBYMKRXEJJQDY-HOYKHHGWSA-N 474.630 5.404 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)nc4ccccc34)CC2)C1 1828713898 MMMBNHKYMDHQJE-HSZRJFAPSA-N 485.550 5.453 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622665 RCZFTBVULSTLCM-RUZDIDTESA-N 468.601 5.143 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)c1Cl 1829687780 GZXCIKOURATYPV-DEOSSOPVSA-N 494.010 5.316 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3Br)CC2)cc1 1830011313 HVKFXDOWEINKEL-HSZRJFAPSA-N 498.396 5.007 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830418206 PXQVLJUKCFUCOX-VGOFRKELSA-N 482.452 5.336 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1Cl 1830661579 FFVNNKPOLTUBBX-RBBKRZOGSA-N 485.065 5.066 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)Sc3cccs3)CC2)c1 1830769469 QDRISHRGBZIBBH-AUSIDOKSSA-N 481.687 5.342 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1831000091 GPBRZWZBCDGQQQ-DEOSSOPVSA-N 481.587 5.515 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1831198664 FNOGVYWQSKIQIE-QWXNGLIISA-N 499.655 5.223 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1)C(F)(F)F 1831451601 XWRNABIFVICFNN-QHCPKHFHSA-N 485.550 5.409 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cnc3Cl)CC2)c1 1832632480 RRDIDJJUKDMMSE-SBUREZEXSA-N 482.987 5.048 30 20 JKED Cc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633454 CMOMNOVHPBTKED-CUNXSJBXSA-N 457.618 5.098 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 1832633810 NRDQCKAFFANAJR-UQBPGWFLSA-N 464.009 5.514 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703143 CXJRHUKMLSAQIZ-RUZDIDTESA-N 479.665 5.571 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC=C(C)C)CC1)NC(=O)OC(C)(C)C 1832754034 RGWAPZIRRFEPIC-BJKOFHAPSA-N 489.701 5.212 30 20 JKED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845546433 MSEICVZVIUZVAT-UHFFFAOYSA-N 484.596 5.432 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C 1847508088 BUMCXDSMZAGMFK-ZEQRLZLVSA-N 489.701 5.212 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(C(F)(F)F)CC1 1847986163 MILCLAPGYUEYLN-GPDROORESA-N 480.424 5.029 30 20 JKED CCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1-c1cc(-c2ccccc2)nc2ccccc12 9840664 PMFZQGHEZOKVRF-HHHXNRCGSA-N 484.629 5.327 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172774 PDLNNXIXOZTIAE-UHFFFAOYSA-O 477.503 5.857 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccc(OC)cc1 10776314 FGTHFZSHYHABGH-AWEZNQCLSA-N 487.507 6.062 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1 14463223 IJSVKSZRBBYCFW-UHFFFAOYSA-N 491.396 5.636 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)c(Cl)cc1Cl 15029028 HEJWFQVEMMGXTI-UHFFFAOYSA-N 488.396 5.527 30 20 JKED CCc1cccc(C)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1 16938992 PRBLHQVIBNUQQY-INIZCTEOSA-N 470.809 5.766 30 20 JKED C=CCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)c1nc(-c2ccccc2)cs1 21346301 PCXKFZSCEMHOPE-UHFFFAOYSA-N 476.627 5.449 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccc(C)c1 22010922 NUBGXZWEKGQFCJ-AWEZNQCLSA-N 457.943 5.120 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22802777 MYTCKRRIPIZJEG-UHFFFAOYSA-O 487.689 5.756 30 20 JKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1cccc(N2CCCC2=O)c1 22938953 NMPDUXQJRTWQCI-GOSISDBHSA-N 485.565 5.020 30 20 JKED CCOc1ccc(-c2nnc(SCC(=O)N(CC#N)c3ccccc3)n2-c2ccccc2F)cc1 23426573 QGLLDAMBHQDTSG-UHFFFAOYSA-N 487.560 5.121 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccsc2)ccc1Cl 24383937 SCHUQRBAVDPHOS-UHFFFAOYSA-N 461.008 5.055 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(C)c2)c1C 28793592 ROOQOFFCHUHZOO-UHFFFAOYSA-O 471.002 5.108 30 20 JKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1ccc(OC)cc1 30687752 BFPAFCBVBSKBTN-UHFFFAOYSA-N 450.589 5.564 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 410197193 CQRXFPYMORSNPN-GOSISDBHSA-N 491.407 5.026 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(NC(=O)C2CC2)cc1 481596203 LICJYHNUHKSTDK-KRWDZBQOSA-N 472.520 5.508 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(CC#N)c1ccccc1 497351916 DEDSVTWQDFSBGB-INIZCTEOSA-N 460.584 5.242 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Br)c4c(c3)OCCO4)c2)cc1 499695064 MXUVGVWVKCGSMS-UHFFFAOYSA-N 479.330 5.118 30 20 JKED N#C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(OCc2ccccc2)cc1 500650982 WTTNQWOJLOABJM-NRFANRHFSA-N 478.430 5.329 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)N1CCCCC1)c1ccccc1 501129809 SFHHZWDRZFCLSB-QHCPKHFHSA-N 483.037 5.542 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12 501141185 HPRVHJGQRLURJA-UHFFFAOYSA-N 468.532 5.219 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(OC(F)F)cc1 502337873 YRNFDBWNVYOTKJ-KRWDZBQOSA-N 451.473 5.816 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(S(C)(=O)=O)cc3)c2C#N)C1 504388095 LMJUKVRDCDAQIF-OAHLLOKOSA-N 476.689 5.295 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 509981639 IFSKERNLWLFNCG-HXUWFJFHSA-N 496.032 5.357 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 509998826 OUYQCULYVJKZOZ-UHFFFAOYSA-N 458.518 5.796 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 510906395 MEGHKKIKHFOJCV-UHFFFAOYSA-N 483.355 6.068 30 20 JKED CCCCOc1ccc([C@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OC 511031299 OYFGTSJXPPOBAY-IBGZPJMESA-N 451.567 5.060 30 20 JKED CN(C)[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1Cl 511322715 SDAMOEIOUZGJKW-VWLOTQADSA-N 462.981 5.409 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(CCc3ccccc3)CC2)cc1 511390328 ICJGUPINJOXOID-UHFFFAOYSA-N 453.586 6.208 30 20 JKED COc1cccc(NCc2nnc(SCCOc3ccccc3C#N)n2C2CCCCC2)c1 511891376 YYMDNYCEOWICNO-UHFFFAOYSA-N 463.607 5.447 30 20 JKED C[C@H]1CCCN(Cc2csc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)n2)C1 513948651 OSLJRHMDNFELCX-IBGZPJMESA-N 477.609 5.620 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 515649597 RQLBLDWPZMQDTJ-XZOQPEGZSA-N 450.460 6.093 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3NC(=O)c3ccccc3)n2)cc1 516713856 KYFYHBCNTNTGIR-OAQYLSRUSA-N 453.523 5.561 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 518260590 NSOFVUUIKANSMM-RTBURBONSA-N 463.628 5.871 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCC1 518675942 XRQDSSLRZDCHSI-FQEVSTJZSA-N 461.509 5.307 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 519405500 DXBYASVUJCRDGH-UHFFFAOYSA-N 496.375 6.052 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 520145309 JJPGGGYFDHWGKS-IBGZPJMESA-N 456.521 5.408 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1 523380181 DGACFUJENDDKBX-UHFFFAOYSA-N 453.502 5.316 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(-c2ccncc2)ccc1C 523587324 QAIBEZCPOMMGSL-UHFFFAOYSA-N 466.335 5.107 30 20 JKED N#Cc1ccccc1CSCCNC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 523795440 RZZNEHCZOUEOKA-UHFFFAOYSA-N 454.983 5.175 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2Cc3ccccc3-c3ccccc3C2)CC1 523899061 FYYOFNFEHJYYRT-UHFFFAOYSA-N 464.525 5.232 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)N[C@@H](C#N)c4ccc(F)cc4)sc3[nH]2)c1 592539402 OKMFWUFMYACTQO-SFHVURJKSA-N 492.601 5.336 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596362327 MUOLPFGALNIPIG-KRWDZBQOSA-N 475.940 5.284 30 20 JKED CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)c1ccc(C#N)cc1 603529616 LXYDUXHQBMEESN-FQEVSTJZSA-N 473.598 5.001 30 20 JKED C=CCn1c(SCc2csc(C(=O)OCC)n2)nc2scc(-c3ccccc3)c2c1=O 603601242 MJPNYRLZIJWKSQ-UHFFFAOYSA-N 469.613 5.237 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603759233 YXUSJSUAUZXPEZ-QHCPKHFHSA-N 471.992 5.774 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C 603959684 PQMPYPQOFPHLSG-UHFFFAOYSA-N 450.498 5.074 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1Cl 604143418 WQMLBVJNOCASOU-BDYUSTAISA-N 497.957 5.979 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1OCC(=O)NC 604363589 SEIPJBIUQCRXLD-HSZRJFAPSA-N 472.545 5.057 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 608864118 KCBKXBCBTBOKMO-UHFFFAOYSA-N 472.932 6.110 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)c3ccccc3)cn2)cc1 608938216 WNGABXDLMBEFTG-SDUSCBPUSA-N 466.541 5.158 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)o2)cc1 609055788 SZFOYHFLRXEZNI-UHFFFAOYSA-N 469.419 5.350 30 20 JKED N#Cc1ccc(Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)c([N+](=O)[O-])c1 619693498 WEOGQIGYWQLIRI-UHFFFAOYSA-N 482.319 5.280 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N/CCc3ccccn3)N(Cc3sccc3C)C2=O)c1 726111209 SIFHOTAOOSAFIU-MIILVSKZSA-N 492.670 5.140 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccccc2)C1=O 726113616 ZHWMAWVCKTVHRK-SSTAQYRCSA-N 493.032 5.115 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Oc1ccccc1 726305778 CYGIYOCEJXPODG-ZBLYBZFDSA-N 475.548 5.950 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2C2CC2)cc1Cl 726404242 UHYVNGZYHYSTFV-GOSISDBHSA-N 477.348 5.127 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(OC(C)C)cc1 726415145 IKRZYMOZUIGMTH-LJQANCHMSA-N 490.423 5.217 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccs1)c1cccs1 726421298 LZQQIFKPGMSUJN-REEHFQDMSA-N 455.630 5.400 30 20 JKED CC[C@@H](CCNC(=S)Nc1ccc(C#N)c(Cl)c1)NC(=S)Nc1ccc(C#N)c(Cl)c1 726435960 IZTPRTQGEBAYCQ-HNNXBMFYSA-N 491.473 5.178 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(C(F)(F)F)c1 726855250 YYENZTBHNGNSKA-LLVKDONJSA-N 468.344 5.243 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 727061659 MMHMCPNRDFVAMY-UHFFFAOYSA-N 477.417 5.426 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cs1)c1ccc(F)cc1F 727780888 WAPVTRLEDZMAIR-PKNBQFBNSA-N 481.549 6.434 30 20 JKED COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 728032747 MYYPMNUTRDGLBF-UHFFFAOYSA-N 487.556 5.391 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccccc3OC(F)F)cc2Cl)c1 728053149 POLVHUGTIPSZCL-UHFFFAOYSA-N 457.864 5.443 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 728248311 QJULSLGKARVMEO-UHFFFAOYSA-N 463.002 5.468 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCC(N(C)C)CC3)c(F)c2)cc1C 728280081 MSHYEPMBLWYFJR-UHFFFAOYSA-N 488.611 5.002 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc2ccccc12 728420987 MANIBPUVAUVVDM-XMMPIXPASA-N 486.597 5.098 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccccc1 728778887 VIKJQGARRXXEDY-IBGZPJMESA-N 475.401 5.648 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCCCC#N)cc1 728779309 YBEQHSRWKBYLIR-IBGZPJMESA-N 489.428 5.956 30 20 JKED CCn1c(S)nc2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)ccc2c1=O 729319080 GRTZQJGDIBBQHP-HXUWFJFHSA-N 474.973 5.266 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c1 730443844 GZFBJCGXSBYTNQ-QHCPKHFHSA-N 494.592 5.196 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2ccsc2)C1=O)Nc1cnccn1 730726366 DUGBNENRKBZXNI-JOCHJYFZSA-N 499.621 5.366 30 20 JKED Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1 731069790 MGHIOINUIMMERB-QGZVFWFLSA-N 465.600 5.237 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731071198 MQBVDQSLVRUQFT-OAHLLOKOSA-N 483.571 5.092 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(F)c2)cc1 731309947 YCXFXUIIMUZITB-QHCPKHFHSA-N 493.560 5.091 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)cc1 743763316 BNZQXDRDRBSQIU-RUZDIDTESA-N 487.606 5.134 30 20 JKED Cc1ccc(F)c(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cccc(CO)c2)c1 744117063 UVRUMULNDHPQIE-UHFFFAOYSA-O 494.612 5.034 30 20 JKED N#Cc1ccccc1N1CCC(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 747335495 DIHTZQDLNGFZIN-UHFFFAOYSA-N 496.014 5.392 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1OCCCC#N 747472766 ABIYGJIVURZIJJ-HZHRSRAPSA-N 460.580 5.937 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1cccnc1 837301377 JJDKYHWHKQORBJ-VGOFRKELSA-N 462.550 5.251 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C#N)ccc1Cl 856434295 ZHQHVLXSNDUDDN-UHFFFAOYSA-N 486.380 5.499 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1 904487127 NMXWQJIQDVNOIP-LJQANCHMSA-N 473.537 5.120 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)c1cccc(Br)c1 913115384 UADNKYHPUOJCAU-SFHVURJKSA-N 480.815 5.285 30 20 JKED Cc1nc(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2c(C)c(C)sc2n1 915086037 QYWBBJVBAIGCMU-NRFANRHFSA-N 458.612 6.003 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 915087715 WMINUBACVOMVMU-VWLOTQADSA-N 479.609 5.590 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 915102291 VQYRFRJDRYOONA-FXAWDEMLSA-N 467.953 5.331 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2cccc3ncccc23)cs1 915964879 SMESRLBGEBRKBA-UHFFFAOYSA-N 455.465 5.841 30 20 JKED O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1cc2cc(Br)ccc2o1 916130080 HHRNBUYSZCMJOV-ALCCZGGFSA-N 463.331 5.476 30 20 JKED COc1cccc(-c2nc(C=Nn3c(S)nnc3-c3ccccc3Br)cs2)c1 916346100 MLMGCMHOWOJSDR-UHFFFAOYSA-N 472.393 5.011 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)n2)cc1 916628268 OOMSNTXXWYZQOF-JOCHJYFZSA-N 479.561 5.524 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc3cc(Br)ccc3c2)CC1 916881047 KSEWMDQUWREHPM-UHFFFAOYSA-N 492.329 5.544 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 916903853 XCXFNWVOVFQMML-NRFANRHFSA-N 474.944 5.635 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc1OC 916934765 JPFVFQPOZMFOAY-INIZCTEOSA-N 475.353 5.700 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)n2)cc1 916974824 RTEPJSQYBPMGOA-IRXDYDNUSA-N 480.387 5.110 30 20 JKED N#C[C@H](C(=O)c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997904 ZXOXUTRGRJRUPE-QGZVFWFLSA-N 456.354 5.734 30 20 JKED Cc1ccc(SCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)c2)c(C)c1 917018535 PUSGHKDXVZLCKK-DEOSSOPVSA-N 485.609 5.259 30 20 JKED N#C[C@H](C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1nc(-c2ccccc2)cs1 917027279 ZYWIWQAGQJOJAL-LJQANCHMSA-N 468.563 5.125 30 20 JKED CS(=O)(=O)c1cc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)ccc1Cl 917031403 SHVSHLFGQAFBHA-XYUGOERHSA-N 475.035 5.158 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc1 917037855 CQMNQIBLJFGUQS-GOSISDBHSA-N 459.354 5.369 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1Cl 917426701 MXCNJOIBVUOWSO-GFCCVEGCSA-N 467.856 5.247 30 20 JKED CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 917600503 WGQDJLMOVFXFKK-UHFFFAOYSA-N 487.006 5.063 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc3ccccc3c2)cc1 917610027 FNGVSPXNBOESMG-UHFFFAOYSA-O 482.629 6.165 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2)cc1 917678714 CHHYHMBQERWVLO-JOCHJYFZSA-N 474.973 5.372 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)c1 917697326 ZMIYCHGJUFMXOU-NRFANRHFSA-N 496.589 5.006 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc2ccccc2c1 917698758 CTXMWLMEMQCNQN-HXUWFJFHSA-N 482.949 5.382 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(C[C@@H]3CCCO3)C2=O)c1 917701085 RCECDHSRIHNAJC-ZCYQVOJMSA-N 487.625 5.596 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N1C1CC1 917704061 RLFJUENFLDVNEN-GOSISDBHSA-N 493.803 5.641 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704873 YTXMHSFNAMJIHN-SBUREZEXSA-N 490.560 5.272 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)NCc3ccccc3)cc12 919664874 MIQCZCKVAPNOFT-IBGZPJMESA-N 497.407 5.400 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)[C@H](C#N)C(=O)c4c(C)[nH]c5ccccc45)c(=O)c23)cc1 920101602 GFKFKIYRJNPTQB-FQEVSTJZSA-N 494.576 5.205 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 920110566 OCJLKJQFXGLZMV-HOTGVXAUSA-N 490.799 6.000 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H]2CCc3cc(C)ccc32)C1=O 920170420 LNYIBTBWGPJSIG-OALUTQOASA-N 462.402 5.057 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc(-c2ccncc2)cs1 920267860 KXRBSSODDXUGKV-JOCHJYFZSA-N 466.541 6.302 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2nnn(-c3cccc(Cl)c3)c2C)cs1 920388640 GZXVVSMZLFOLIF-DHZHZOJOSA-N 498.395 5.920 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1oc2ccccc2c1CSc1ccc(F)cc1 921216087 JWBBPRUMENQWHM-DEOSSOPVSA-N 454.523 5.075 30 20 JKED Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)o2)n1 921253692 UJEYAWYWOFATLF-GJZGRUSLSA-N 472.661 5.683 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]c3c(Cl)cccc3c2C)C1 1777940168 HQWSJFQIMPJQFW-AJTFRIOCSA-N 484.040 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(Br)c4ccccc4c3)CCO2)C1 1779241325 OVNVPTPSAKVDTI-AREMUKBSSA-N 499.449 5.038 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sc4ccccc4c3Cl)C[C@@H]21 1783540691 KQZFKURMZGBBAF-WDSOQIARSA-N 475.054 5.140 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c4ccco4)CCC3)cc2)C1 1785810607 VRAPUGOGACLBAR-JOCHJYFZSA-N 493.604 5.336 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC)c(OC)c4Cl)cc3)CCC2)C1 1785955269 GHKIAQCSOPPSAM-UHFFFAOYSA-N 454.954 5.071 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1786104213 CBGSWYFSALOXGO-SKCUWOTOSA-N 493.648 5.146 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CSC4CCCC4)cc3)CCC2)cc1 1786346600 ACHMZKXXJNMHTO-UHFFFAOYSA-N 461.631 5.301 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCc4ccccc4[C@H]3O)CCC2)cc1 1789448616 DNOYZBCJROVCQC-DMTNHVFBSA-N 458.602 5.185 30 20 JKED Cc1nccn1CCCC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508960 DUAKZUGEZUFWQF-UHFFFAOYSA-N 478.713 5.157 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3nccc(OC)c3OC)CCC2)cc1)c1ccccc1 1789600526 LVECONHPUSEJOS-XMMPIXPASA-N 497.595 5.044 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cncc4cnccc34)CCC2)cc1)c1ccccc1 1789600907 VKFXQTCUVPXCPN-HHHXNRCGSA-N 488.591 5.575 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)CCC3)cc2)c1 1790144941 YGBJMQMNDYJGOV-UHFFFAOYSA-N 484.943 5.861 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4N)CCC3)cc2)c(Cl)c1 1790766997 JIHKKBKCCCNLNY-NTUHNPAUSA-N 470.960 5.255 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2)CCC1 1791523376 PNCIAEWPIFXUKC-KRWDZBQOSA-N 453.564 5.033 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791730219 RKJODFLLEOKNGJ-HSZRJFAPSA-N 481.637 5.104 30 20 JKED CC/C=C(\C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCC2)cc1 1792065272 SDVXSQVZVWTICR-OTJDAXFFSA-N 489.682 5.079 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5c(Cl)cccn45)CCC3)cc2)c1 1792123931 UFWKKIJIQCJTFO-SFHVURJKSA-N 497.986 5.676 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)s3)CCC2)cc1 1792336613 BOXUBVCPRDLCOA-AKJBCIBTSA-N 499.608 5.104 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@](C)(OC)c1cccc3ccccc13)C2 1798330470 JHTFLXLUGKZRAW-QZCCEIIBSA-N 460.618 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(F)c(F)c1)C2 1798593184 ZJNWCEKBEWTCRM-ACDBMABISA-N 467.560 5.271 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1 1801403206 UEMZGXCNZQJXMV-FOECPVOOSA-N 485.672 5.266 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccnc(C(C)(C)C)c2)[C@H]1c1cccnc1 1802493377 XOASLNAVBPPYCW-UPVQGACJSA-N 462.638 5.086 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1802741132 FYNPGXUPBTXWGA-CYFREDJKSA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1802743070 UARXVENSLTVKHK-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)[C@H]1c1cccnc1 1803084529 RMDBLLPZYKTXRU-QPPBQGQZSA-N 465.663 5.529 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1803093082 OSPDWQNYMDUQPY-JPYJTQIMSA-N 473.951 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1803219124 XJSNAYVZSZPJIT-CWTOASCOSA-N 459.634 5.296 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)c[nH]4)CC3)C2)cc1 1805364225 WKGWBORBFASMQP-VAWYXSNFSA-N 472.633 5.177 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1808595200 COBRVNMNJSGPAN-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1809154990 MBLJJRSVTACREF-URXFXBBRSA-N 459.590 5.448 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1810173785 QPNDEOKIGKZDFS-FBLLAGFSSA-N 463.622 5.369 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1810500208 MUPIMHCASHPYSB-ZJSXRUAMSA-N 480.052 5.465 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[C@H]1c1cccnc1 1811410920 AGBDIMULVLRVKT-NFQMXDRXSA-N 489.019 5.058 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811715773 VNHFLMOPCJEDAD-SBUREZEXSA-N 497.357 5.033 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811725770 LAJSQNJEXPOHCR-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811853609 INTSJPUQTSSZPD-GGAORHGYSA-N 471.523 5.188 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812596144 IOUQVWNPUUDEGT-QUZZAMIASA-N 493.957 5.215 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1)C(F)(F)F 1812682325 OAAXDFUPLHPZTK-NOZRDPDXSA-N 487.566 5.181 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3occc3n2-c2ccccc2)[C@@H]1c1cccnc1 1813227118 FOXGSRGRZRGXIN-MUAVYFROSA-N 494.595 5.132 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c1 1813868403 NCBWQFSUUXRGKB-VEDVITAVSA-N 490.966 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccnc1 1813902404 JKRKKIIQUTYCLP-NZQKXSOJSA-N 470.013 5.056 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)c3ccccc3n4CC)[nH]n2)C1 1814397361 YFNWGOHDMFQNBA-SANMLTNESA-N 481.600 5.810 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)c(F)c(OC)c2F)[nH]n1 1814443964 LLCRJTOECDLTGS-KRWDZBQOSA-N 490.551 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2OCCc3ccccc32)n[nH]1 1815130002 JYJJBNCCUHOXMM-GOTSBHOMSA-N 464.610 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C\c2c[nH]c3ccccc23)n[nH]1 1815787501 HDJIRFCERXFSIT-BLSRYCEMSA-N 457.578 5.365 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1816463157 ZIBKCJDIRHAMQM-OAQYLSRUSA-N 477.540 5.239 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)c(Cl)c1 1817496231 YMJZGZMMVKZSAT-FHVRUZERSA-N 465.966 5.016 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817755244 HKWLPNWHFNGRFY-QRWLVFNGSA-N 467.957 5.236 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cc(F)cc(F)c2)n[nH]1 1817765248 KUGKETVYIIOMCE-NFBKMPQASA-N 499.587 5.010 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)n[nH]1 1818434853 PGWJQSDWLXUDLK-JOCHJYFZSA-N 491.979 5.360 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@]3(F)CCCCC3(F)F)n[nH]2)c(Cl)c1 1818891076 WZYSRCHDWDKIGF-AVRDEDQJSA-N 493.917 5.158 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)[nH]n1 1819309210 OUOPSHDGIAOZKT-OFVILXPXSA-N 475.637 5.474 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OCC(F)(F)F)cc3Cl)n[nH]2)C1 1820186310 AAIHDZPIKXYUCR-LJQANCHMSA-N 496.917 5.276 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4nc(C)ccc4c3)[nH]n2)c1 1821325446 XRILTSQSBBDZIM-VWLOTQADSA-N 478.556 5.066 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)[nH]n1 1821984431 WJSYKOAIJRGQQV-KSSFIOAISA-N 450.917 5.070 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1822392388 ZWBHHHDMOOHSNY-QGZVFWFLSA-N 454.983 5.387 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@H]4CCCc5c4[nH]c4ccc(Cl)cc54)sc3C2)C1 1822780519 ABUNKCRMEBMRMS-AEFFLSMTSA-N 495.048 5.276 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]n2)cc1C#N 1823292624 RERWUUJXXJKQIG-JOCHJYFZSA-N 491.979 5.342 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)cc1C#N 1823293780 FTJJNCILMHXFTH-RLIDHQHUSA-N 489.620 5.201 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823315501 OOUKZWQUZWTTQO-ACJLOTCBSA-N 479.806 5.344 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)C1 1823702336 ZSVYCNXGGYAYLN-MHZLTWQESA-N 482.628 5.429 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1824501587 VSEYKKBDJSOTRI-QFIPXVFZSA-N 475.699 5.092 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825768030 YQVWGSDGQGBHIT-DEOSSOPVSA-N 461.606 5.077 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1826370408 GKIMCTLYCMPXNE-VWLOTQADSA-N 494.035 5.086 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c(C(F)(F)F)n1 1827326479 LBUQPOBYKZTIKB-QFIPXVFZSA-N 490.570 5.176 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)c(F)c2)CC1 1828825043 RULCJWNQXDAEDK-URXFXBBRSA-N 461.021 5.410 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)CC2)cc1 1829288619 ZDXKGSSDVLGVCQ-HHHXNRCGSA-N 496.611 5.079 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562845 JZQOWPFDRHKROP-HHHXNRCGSA-N 481.640 5.643 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576978 WWRMWCITFCOWIQ-XMMPIXPASA-N 471.626 5.096 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c1Cl 1829688741 HMYLCHMAINRSJL-FQEVSTJZSA-N 482.005 5.566 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829837210 FPRBNPFPDBEUBA-GHTZIAJQSA-N 473.614 5.072 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)cc(C(F)(F)F)c1 1829863692 HSZSFRXHFFRESD-FQEVSTJZSA-N 493.913 5.371 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C)CC1 1829943838 DCAQRRGHYNNZSC-LOSJGSFVSA-N 497.680 5.088 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1)c1ccccc1 1829950141 CVUOLFQZZXSILH-SVBPBHIXSA-N 457.618 5.231 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1830417636 FVRSTAJROBQGDT-NBGIEHNGSA-N 489.616 5.620 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)cc1 1830572889 HJOGDNIVBBNHDF-QHCPKHFHSA-N 467.972 5.092 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c2[nH]1 1830628524 KFMURQJUQJDRLF-AREMUKBSSA-N 468.601 5.090 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc1 1830676738 WOMWEPFORPDMCC-NDEPHWFRSA-N 480.612 5.409 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)c1 1831060419 OYTOBTIYPGIHRF-HHHXNRCGSA-N 491.591 6.005 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1)C(F)(F)F 1831448711 LGYFBAZOBVQRCK-FQEVSTJZSA-N 467.919 5.173 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C)cc3Cl)CC2)c1 1832608190 WGIUEQDPGHGGIZ-RUZDIDTESA-N 480.008 5.076 30 20 JKED CSc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1O 1832633025 BFLDKIMBSNWOOV-DVECYGJZSA-N 491.657 5.288 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1833291555 GNCXBWYBJQWGIU-UHFFFAOYSA-N 485.672 5.307 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 1838671856 LUKASPGFKLNKMO-INIZCTEOSA-N 486.962 5.183 30 20 JKED C=CCSCC(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 1846780723 SIYAIHOAZBWOFC-UHFFFAOYSA-N 490.547 5.234 30 20 JKED CCc1ccc(OCc2nnc(SCC(=O)Nc3sccc3C#N)n2Cc2ccccc2)cc1 8621011 FKRSQSULRIQMJD-UHFFFAOYSA-N 489.626 5.132 30 20 JKED C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OC 9815074 ZLKHDIWXCZABFP-FNORWQNLSA-N 470.736 5.415 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10169016 FIKZGVDJWQIGIW-UHFFFAOYSA-O 485.698 6.911 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 14088264 NMURSSBFQXAKLV-UHFFFAOYSA-N 498.033 5.551 30 20 JKED COc1ccc(/C=C2\N=C(SC[C@@H](C#N)CCC#N)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 15240030 GDJNCSDRGDHOGB-CTPANLQCSA-N 480.977 5.278 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2sc(C)c(C)c2c1=O 16715515 OCFJLXYIMJJHAX-CYBMUJFWSA-N 467.538 5.399 30 20 JKED C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16920067 JPVOPRQFFZPDSM-KGLIPLIRSA-N 489.432 5.188 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccc(F)cc1 18773110 NQYMWPDEQRGALL-MRXNPFEDSA-N 466.582 5.618 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccc(OC)cc1 18974977 JYOSJELNJUZYTN-QHCPKHFHSA-N 494.617 5.338 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nc2scc(-c3ccccc3)c2c1=O 20789910 IIDMFVITGZSVHY-QGZVFWFLSA-N 489.622 5.633 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1CC(C)C 21583259 CBCXQTDPXNQYSJ-SFHVURJKSA-N 481.597 5.176 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 22551177 PWXNHDPHRPXSCC-FQEVSTJZSA-N 473.429 5.894 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1F 22732123 WPAKUUNRQHHXFV-UHFFFAOYSA-O 457.541 6.048 30 20 JKED C=CCn1c(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nnc1-c1ccco1 23201960 PQVYRDJWQYCGTL-CQSZACIVSA-N 461.572 5.542 30 20 JKED CCn1c(SCC(=O)OCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1cccs1 23404302 RUSHNVYSKOWSIP-UHFFFAOYSA-N 460.584 5.401 30 20 JKED CC(C)c1ccc(CSc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)s2)cc1 26093262 QNGDYCJBFRBUAZ-HNNXBMFYSA-N 454.646 5.945 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccc(N(C)C)cc2)c1 28811031 AJIBALBOJNRTGA-UHFFFAOYSA-O 483.455 5.416 30 20 JKED N#Cc1c(CCCNC(=O)c2sc3cc(Cl)ccc3c2Cl)nn(-c2ccccc2)c1N 33022476 OPNBEFOQZHBFBS-UHFFFAOYSA-N 470.385 5.210 30 20 JKED N/C(=N/OCc1coc(-c2ccc(Br)cc2)n1)c1ccc(Oc2ccccc2)nc1 72060177 PLORBMNGLOZGFB-UHFFFAOYSA-N 465.307 5.129 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(N[C@@H](C)c4ccccc4)cc3)ccc2c1=O 108713708 WNRSGRADBZOWHJ-KRWDZBQOSA-N 456.571 5.670 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 116712784 MKTOZYLTOTULPR-UHFFFAOYSA-N 488.396 5.663 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCCSCc1ccccc1C#N 195629185 PJXVARRATAGJPC-UHFFFAOYSA-N 488.009 5.636 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)cc1Cl 255931098 TVLYVTMWLSWANY-UHFFFAOYSA-N 463.390 5.389 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc12 303166537 ARUFAITZVIPEON-UHFFFAOYSA-N 491.016 5.663 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 303236099 ZLSAQIPNULSSKB-FQEVSTJZSA-N 459.933 5.091 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1Cl 409777860 RUBDDGHFJMZYKH-ZCYQVOJMSA-N 488.975 5.435 30 20 JKED C=CCN(C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nc(C(=O)OCC)cs1 409826819 FWHILPGQBBWACU-UHFFFAOYSA-N 473.019 6.098 30 20 JKED C=CCN(C(=O)[C@H](C)Oc1cc(C)ccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 410138240 DWLPBROMXMMSRQ-INIZCTEOSA-N 491.034 5.162 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)cc2F)c1 481306074 GRJSECFJMIINMW-UHFFFAOYSA-N 497.448 5.039 30 20 JKED Cc1c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cccc1C(=O)N1CCSCC1 483560268 WNORQXMJNBFXKN-UHFFFAOYSA-N 457.555 5.100 30 20 JKED C=CCN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 494082141 BISPKDOHRHEJKG-PMACEKPBSA-N 473.019 5.190 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1C 501932971 VBRZHXJBSIGXAH-UHFFFAOYSA-N 477.008 5.212 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1Cl 502594013 JKFJWJPXIKTPNC-GFCCVEGCSA-N 483.371 5.686 30 20 JKED C[C@H](CC#N)N(C)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 505134093 DXJATGQPLSUSDS-LJQANCHMSA-N 482.005 5.110 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 510249605 ASVWVKMMYKLYTK-NDEPHWFRSA-N 489.531 5.854 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)c2)c1 511464302 OLCWBLRGHZTBMP-HSZRJFAPSA-N 450.502 5.056 30 20 JKED CCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OCC 513681860 KVAZGOCHAUPXGT-QGZVFWFLSA-N 465.575 5.343 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)cc1 514031732 XANCSLZKGPKRSR-UHFFFAOYSA-N 494.393 5.073 30 20 JKED Cc1cc(C)cc(N(C(=O)CN(C)C[C@H](C)C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 514097783 AZLLUYDOHFHLOF-GOSISDBHSA-N 497.462 5.946 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 514357755 JFVSLYZFJSWSFX-SJORKVTESA-N 497.020 5.801 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 514559388 ZVONTPQUIFKLJZ-UHFFFAOYSA-N 480.524 5.235 30 20 JKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 515547103 MHYUMBHGOXDKFR-KRWDZBQOSA-N 462.918 5.960 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 515826425 NAAIVNFMAUZJRK-UHFFFAOYSA-N 496.527 5.755 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 517277219 BCOUCAYSCKRCRO-GLDPYIMESA-N 498.608 5.340 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1c(Cl)cccc1Cl 517458863 BCEBABODYVYXJG-CQSZACIVSA-N 455.432 6.138 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 517856023 HFLWIHXJONUEEF-UHFFFAOYSA-N 482.565 5.305 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C(=O)NC4CCCCC4)CC3)c2)cc1 519508333 BHXLOQFTKMVZPJ-UHFFFAOYSA-N 474.605 5.024 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 519988179 ICSOYWDXWQMYBS-IBGZPJMESA-N 492.601 5.264 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 520190912 QUMZCHPVQGBIBJ-GCJKJVERSA-N 451.592 5.172 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)c1nnc2n1CCCCC2 521178209 SOFWUVUZGQZPCD-KRWDZBQOSA-N 483.403 5.256 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)cc1 589944809 VULUXIUIADEMBJ-MRXNPFEDSA-N 495.674 5.762 30 20 JKED N#C[C@@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 590208700 YXSSFNGMKVEUEY-SFHVURJKSA-N 471.504 5.612 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)c(C)c1 590628637 VHVCNLVEVOVNMF-UHFFFAOYSA-N 485.559 6.020 30 20 JKED N#C[C@H](C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nc2cc(C(F)(F)F)ccc2s1 590880733 MTDPRYZEWDWLGM-GFCCVEGCSA-N 473.457 5.657 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCCOc1ccccc1 603738471 HUHKTBOJNOHQHV-UHFFFAOYSA-N 465.509 5.764 30 20 JKED C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1=O 603759060 SQALQVNZADGKLB-JLGINSKQSA-N 457.961 5.544 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 603831632 LXGDHXUGPCNRHZ-UHFFFAOYSA-N 464.525 5.841 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)c2)c1 604007115 MUEXWBODQWUQGJ-HHHXNRCGSA-N 471.557 5.656 30 20 JKED COc1cc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)[nH]c2c(OC)c1OC 604193290 BQWBGSJSFOEKKJ-UHFFFAOYSA-N 477.904 5.763 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 604451265 YKPXWTCBAAPXAD-UHFFFAOYSA-N 490.028 5.031 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 608994161 HTPKIUKGWDMPRG-RUZDIDTESA-N 461.009 6.111 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2-c2nc(C(C)C)no2)cc1 609020643 MPTFEHMJTFJCBG-UHFFFAOYSA-N 454.486 5.785 30 20 JKED COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)c1 609079991 PIWGBSVLQYFLLP-OAQYLSRUSA-N 490.991 5.447 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3ccsc3)cc2Cl)c1 609087301 GJGCUKVKJHXXIO-NRFANRHFSA-N 465.962 5.154 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2F)c1 609104076 NHJPPNMEKBUBLA-UHFFFAOYSA-N 465.484 5.781 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)cc2F)c1 609124420 ADKRCFSEXWKXDC-QFIPXVFZSA-N 496.542 5.102 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc2ccccc2n1 613292435 IRJDANNDHURZPR-OAQYLSRUSA-N 470.326 5.740 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)CC)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 614509769 ZHWOJNMTFPFNIX-HSZRJFAPSA-N 459.615 5.645 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 615844787 UPHQTILSAZAJLR-LJQANCHMSA-N 461.537 5.545 30 20 JKED C=CCOc1c(Cl)cc(CNc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)cc1OC 630068946 FPXWLTUNAMHAJC-UHFFFAOYSA-N 472.372 5.504 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1C(F)(F)F 642157664 JQCBTMIREDUZKM-NXEZZACHSA-N 491.329 5.670 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)nnc1-c1ccncc1 645072781 CILQJVJLVNCFOW-KBPBESRZSA-N 464.620 5.215 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CCCC2)cn1 726112268 NXJUKSCVFICOEW-GOSISDBHSA-N 493.605 5.121 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1ccc(Cl)cc1Cl 726322638 YUUDPJAKZLOYSN-HNNXBMFYSA-N 498.313 6.026 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)S/C1=N/[C@H](C)c1cccs1 726419607 GBMPEHDIFPDLSF-ITUNBWHSSA-N 466.028 5.128 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)S/C1=N\[C@@H](C)c1cccs1 726419609 GBMPEHDIFPDLSF-NSEJETEYSA-N 466.028 5.128 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(F)c(F)c2)cc1 726569745 JUIZRTZJNKGGKE-UHFFFAOYSA-O 482.576 5.662 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@@H](C)c2cccs2)cc1 726581019 YEPDKUWSSUWNPB-SFHVURJKSA-O 494.706 5.957 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nc(C)cs2)ccc1Cl 727669121 FGWMXMRDOKEKLJ-HNNXBMFYSA-N 494.013 5.116 30 20 JKED COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 727989270 HXGFMVCXZSQJGQ-UHFFFAOYSA-N 463.490 5.338 30 20 JKED C#Cc1cccc(N(C(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)C(C)C)c1 728246868 MMXRBCBWBITMEI-UHFFFAOYSA-N 453.336 5.361 30 20 JKED Cc1cc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c(C)n1-c1ccc(C#N)cc1 728272187 GNNQEIMVOWZZMW-UHFFFAOYSA-N 470.554 5.019 30 20 JKED Cc1ccc2c(c1C)OC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 728424600 FFKJRBWJHJZIIW-DNQXCXABSA-N 496.592 5.269 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C2/CN(C(C)(C)C)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697319 NMGHMOJFTRXCSH-YEZXMEQISA-N 469.585 5.419 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c1 728780456 UGYREWUAVHJCSF-JOCHJYFZSA-N 466.582 5.603 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)c1 729667931 VXTKQSGXIJXQBQ-UHFFFAOYSA-O 464.350 5.020 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(C3CCC3)C2=O)c1 730462140 WUHBFXITILHGJT-DEOSSOPVSA-N 489.597 5.370 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 730945347 QJGOJBHKRNIQFB-NVJAIDLZSA-N 482.606 5.433 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CN2CCCCC2=O)cc1 730995799 UIPBSZKKKXPQKX-UHFFFAOYSA-N 461.509 5.476 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 731001962 LOICRDLSUKPOMV-QFIPXVFZSA-N 469.928 6.117 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)COc1ccc(Br)cc1Cl 731067383 ROEMIYTXBSPGAF-ZDUSSCGKSA-N 497.798 5.057 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731108554 VPUPDVHFUBDGIU-AREMUKBSSA-N 459.521 5.776 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CC(F)(F)F)cc1 731308011 KTBVVGGEVMCTJD-GOSISDBHSA-N 465.497 5.038 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CC2)c1Cl 731312077 KHZWAWNFKZTXAO-INIZCTEOSA-N 464.374 5.130 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H]2CCc3cc(F)ccc32)c1 731315509 GZNALSLGRZTTEQ-RPBOFIJWSA-N 499.567 5.160 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C#N 746694025 KOFFLXRDLFZCTQ-QFIPXVFZSA-N 499.036 5.297 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 746696771 UFYINTTWAZGUMB-XMMPIXPASA-N 484.581 5.337 30 20 JKED CN(Cc1ccccc1)c1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 748986035 PUVOQCCXLDZMAO-UHFFFAOYSA-N 476.584 5.097 30 20 JKED Cc1ccc(C2=CCN(C(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)CC2)cc1 762257694 HARBMOOICZYGTO-UHFFFAOYSA-N 467.594 5.527 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 799212006 DYJOIJUVWYRDCJ-GOSISDBHSA-N 494.495 5.043 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)CCc3ccco3)C2=O)cc1 837520483 HUACHGHTASWZKB-KOSHJBKYSA-N 489.597 5.464 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837640133 MANTUHCXWAOTNJ-JPYJTQIMSA-N 476.577 5.559 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccccn3)C2=O)c1 838592666 SYJZWIPIIXAUHG-QFIPXVFZSA-N 480.540 5.137 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)/C=C/c4cccnc4)c3C#N)C(C)(C)C2)o1 864096415 DPSLVDDFSMHPPN-AMMQDNIMSA-N 499.592 5.889 30 20 JKED CCOc1ccc(Oc2c(C=NNc3ccc(S(C)(=O)=O)cc3)c(C)nn2-c2ccccc2)cc1 914836016 VHZDFQHECWFGJW-UHFFFAOYSA-N 490.585 5.221 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C2CC2)[C@H](C)C2CC2)c1 914841452 QFXKLBZQDUMLHL-QGZVFWFLSA-N 489.037 5.133 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104937 XRQRFRLWZPIJLJ-INIZCTEOSA-N 475.492 5.830 30 20 JKED C[C@@H](OC(=O)c1cnc(-c2ccccc2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 915550383 RVOJBSUHJBIHLJ-CQSZACIVSA-N 451.573 5.196 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 916050502 BTOSLTUSDOARTF-QHCPKHFHSA-N 468.557 6.221 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 916211877 GGXPLIUAFLAXIL-IBGZPJMESA-N 494.444 5.689 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 916217396 MFZPMSUPIZSXRC-XMMPIXPASA-N 484.556 5.534 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(C2CCCC2)C1=O 916217578 QIPLJXDWJWJAPB-OAQYLSRUSA-N 451.592 5.215 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@@H](C#N)c1nc3ccccc3[nH]1)c(C)n2C(=O)c1ccc(Cl)cc1 916627312 MNNKBJUPMYUEFD-JOCHJYFZSA-N 496.954 5.596 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 916844916 JVSHUIZZXTVBNI-HNNXBMFYSA-N 455.564 5.946 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C2SCCS2)cc1 916883336 JHEQHSGYWNTHOU-INIZCTEOSA-N 450.557 5.441 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc3oc4c(c3c2)CCCC4)CC1 917016225 LBSNGFVWOAVLPA-UHFFFAOYSA-N 457.486 5.253 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(N3CCCCC3)cc2)cc1 917164482 ARYBRWSMZZJUSU-UHFFFAOYSA-N 455.627 5.813 30 20 JKED O=C1/C(=C\c2csc([N+](=O)[O-])c2)CC2(C/C1=C\c1csc([N+](=O)[O-])c1)C(=O)Nc1ccccc12 917517801 KXCWJYYUURBYES-OPCYYNASSA-N 493.522 5.346 30 20 JKED O=C1/C(=C\c2ccc3c(c2)CCO3)CC2(C/C1=C/c1ccc3c(c1)CCO3)C(=O)Nc1ccccc12 917517839 LSKRVAPKHAEVHI-MPKYGIEOSA-N 475.544 5.276 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cs1 917560764 YREBTLGOUFEQDG-YIMYCEAYSA-N 479.945 6.219 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)s1 917673784 HUVQTBSMZOYSPQ-FQEVSTJZSA-N 453.564 5.356 30 20 JKED O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 918709536 OWUGGBOYKNMFFC-UHFFFAOYSA-N 451.429 5.612 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1=S 918731112 HXNNTLCRHQYLJT-UHFFFAOYSA-N 483.037 5.481 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nncn3-c3ccc(C)c(Cl)c3)n2)cc1 920141830 IEOQTBFNOJIUOK-GOSISDBHSA-N 496.017 5.330 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cc(C)on3)C2=O)cc1Cl 920353389 ILBXNGSIZNSAJH-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1c(C(=O)/C=C/c2cc3cnn(C(C)C)c3nc2Cl)nnn1-c1cccc(Br)c1 920389137 LAYRCLRCWKVHQQ-BQYQJAHWSA-N 485.773 5.213 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc(C(C)(C)C)nc2)c1 920746655 DJTWIWBDEJMEJB-UHFFFAOYSA-N 485.009 5.061 30 20 JKED N#CCSc1ccccc1C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 933962499 PLOGZZAJATXGQQ-ATVHPVEESA-N 492.409 5.075 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C(F)(F)F)CCC2)cc1 1786391672 ROOIAFOWPLLBFZ-NRFANRHFSA-N 479.568 5.122 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(Cl)c4)cc3)CCC2)c1 1787120920 LPMGXLQVYOVEQO-MRXNPFEDSA-N 474.948 5.129 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787133446 BXEANJMUXBIBEY-XMMPIXPASA-N 475.564 5.142 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(-c6ccccc6)ccn5n4)cc3)CCC2)CC1 1788396359 LTTCYDKYVYLYCD-UHFFFAOYSA-N 475.552 5.053 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc(-c4ccco4)no3)cc2)CCC1 1788421159 UYBLTZVIANOQKD-ZHACJKMWSA-N 487.537 5.183 30 20 JKED Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1788685818 VWJLPHBURFLZCL-UHFFFAOYSA-N 493.592 5.447 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789167780 PTIUBKPTVWRRAG-LEWJYISDSA-N 497.680 5.616 30 20 JKED Cc1nc2ccncc2cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1789248573 WIYATMXNUXERLW-UHFFFAOYSA-N 475.552 5.066 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)/C=N/N4CCCCC4)cc3)CCC2)CC1 1789516173 HGZCFMUPAXYYHS-ZBIWLSHRSA-N 452.643 5.055 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccs5)on4)cc3)CCC2)cc1 1789775979 HQAMSELNANDDQU-UHFFFAOYSA-N 482.565 5.531 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CC3)CCC2)cc1 1790569928 NDXCELNKSHPONF-GOSISDBHSA-N 467.997 5.307 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cc(F)ccc4F)CCC3)cc2)cc1 1790707508 JYVJHYSEGBCWNR-UHFFFAOYSA-N 459.496 5.021 30 20 JKED Cc1nc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c(C)s1 1790763871 DINJLUAHZUAEJL-UHFFFAOYSA-N 479.005 5.275 30 20 JKED CCN(CC)C[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1791069865 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CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/C1CC1)C2 1800175834 RKBVHMWCVXGVQF-HWCSRRPISA-N 489.701 5.235 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)C3)c1 1800767095 ZAIGFXGBFNJKOF-ZFFYZDHPSA-N 464.009 5.212 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Cl)cc(Br)c2[nH]1 1801017621 JKXOBDNLCQKRHE-SJWGOKEGSA-N 478.818 5.048 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1802736623 WPEXCEDNYXUZRH-YADARESESA-N 493.394 5.202 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C3)cc1C#N 1803839131 KCKYVEPXWOYWBV-VMAPGKTHSA-N 492.019 5.054 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1806026526 SZOCMFJIMAHAEN-IBGZPJMESA-N 470.997 5.036 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@H]1c1cccnc1 1809201285 AHGHAESHFMJMSW-HOYKHHGWSA-N 480.559 5.153 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1810175453 RWFBPNPVGYZXSU-QKLQHJQFSA-N 478.445 5.538 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1810275470 XYFHXRFORBAMEO-CVDCTZTESA-N 488.129 5.167 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccs2)[C@H]1c1cccnc1)c1ccccc1 1810443596 HYGDMSKKJAZYHT-FJHQTZCDSA-N 483.637 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1811228624 FGBAMWXLQJMDEZ-ARMFNRFLSA-N 475.633 5.347 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811719445 ZSTGICQMXSQSKK-ABYGYWHVSA-N 495.623 5.962 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1812793110 YXWYQECHACDTBU-MFYODDQASA-N 453.671 5.542 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1813225784 ATMAIUSSUSUPEI-OFSOJUDTSA-N 473.661 5.256 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1813768613 PXTPEKNOHJDFIP-DVECYGJZSA-N 472.416 5.210 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c1 1813864327 ZFIBVRAWWUHSCK-FTGWLVSGSA-N 490.966 5.135 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2c2cccnc2)cc1 1814046713 CQVCRVALAFHPGM-GRJGCSRKSA-N 484.644 5.227 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)[nH]n1 1814444000 NJGARMFGEHTFKR-ILBGXUMGSA-N 479.669 5.477 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)n[nH]2)C1 1814936760 IEDVWCXZAYKJFI-GMAHTHKFSA-N 455.002 5.461 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccs2)n[nH]1)c1ccc(O)cc1 1817496758 JMIPPPOVAVWEET-APBDPQBWSA-N 488.613 5.080 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818214896 WFDGJVZTSCSUQP-HXUWFJFHSA-N 477.531 5.310 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818214926 YGDUJVFKDFBAOL-KXBFYZLASA-N 465.520 5.329 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)cc12 1819055202 BZWOVNUJOKAUQB-QHCPKHFHSA-N 486.963 5.344 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)[nH]n1 1819305434 JBEKXSVMRKYRDK-HYBUGGRVSA-N 473.577 5.041 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)c1 1820469648 LQFUJSZXYOTALY-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)Oc1ccccc1 1821280503 VXVDKOLESXVRTQ-HXOBKFHXSA-N 491.979 5.098 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)CCCCC)[nH]n1 1822307192 VJJFGSSMBRCQMW-SFHLNBCPSA-N 489.661 5.088 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)ccc2Cl)n[nH]1 1823129113 GEGXGJVJJWVZKU-UWJYYQICSA-N 456.974 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cn(C)cc3C(F)(F)F)[nH]n2)c1 1823212212 MCSGZXORUGAPRP-YCRPNKLZSA-N 498.509 5.014 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)C1 1823700217 JJTHZEVKSUKNNQ-NRFANRHFSA-N 457.039 5.754 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1823887522 HUJRKVCEXUSYLG-QFIPXVFZSA-N 493.570 5.191 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1)C(F)(F)F 1823976565 GYBZFSIULKBFHZ-MGPUTAFESA-N 456.936 5.182 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1824141573 VZKFIAJMOLZBPZ-OAQYLSRUSA-N 466.544 5.609 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1824502238 BUMGGYDAKGNMDN-JOCHJYFZSA-N 484.534 5.061 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)CC2)c1Cl 1824857229 KAZKEAOIBSKRIO-ISKFKSNPSA-N 467.972 5.156 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c(C(F)(F)F)n1 1826269675 QEJMRXXZCJTGRY-JOCHJYFZSA-N 490.570 5.176 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1827356746 ZZEOARJYCOBRGW-VWLOTQADSA-N 479.571 5.064 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828223937 SGDQZYFSEIJLEI-SANMLTNESA-N 477.649 5.469 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1828827572 XXNWIIRHVBEVKC-ICSRJNTNSA-N 451.533 5.035 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccccn3c2C)CC1)c1ccccc1 1829031671 DFIKBPURQBQSDH-KAYWLYCHSA-N 496.655 5.073 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705654 NYVLIHSKYKBDRZ-KAYWLYCHSA-N 492.635 5.299 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)CC2)c1 1830092480 IRUCZCQGMCICOU-AVRWGWEMSA-N 465.544 5.139 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)ccc1F 1830360606 LKXHLHLSIPOMJV-MUUNZHRXSA-N 483.587 5.327 30 20 JKED C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1830406302 OCPAXJRUAURQPK-OREGWCPLSA-N 473.617 5.014 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2Br)CC1 1830509318 KQLPEOSBMONUQD-IBGZPJMESA-N 498.259 5.021 30 20 JKED O=C(C1=COCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830604763 MQAOIRSBOVJPMZ-LJAQVGFWSA-N 482.624 5.014 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)n1 1830720711 WDQQOEAZZHTXOI-QFIPXVFZSA-N 485.053 5.339 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721836 QZBGYWOYIHCEEC-QHCPKHFHSA-N 456.030 5.437 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831448242 MMVDBLSHZZSRFN-XMMPIXPASA-N 498.570 5.071 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1C#N 1832024246 SFOIAPVJPWVQJX-UPRLRBBYSA-N 499.655 5.382 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2cccnc2)CC1)c1ccccc1 1832339812 GWLIKFSTEBMJLK-URLMMPGGSA-N 485.672 5.221 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1832549834 FZCHGOJOXWNUCX-SANMLTNESA-N 494.035 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)CC1 1832658133 RNAISLCZVOQFQD-QFIPXVFZSA-N 461.046 5.574 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)sc3Cl)CC2)CC1 1836020777 UFXFCDBEXXIQRL-GOSISDBHSA-N 484.493 5.009 30 20 JKED CC1(C)CCC(CC(=O)N2CCC(N3CCC(NC(=O)c4cccc(C#N)c4Cl)CC3)CC2)CC1 1836131365 IAPNKLZAOGZDAR-UHFFFAOYSA-N 499.099 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1844356816 TXCHAEQHTMVZSB-UHFFFAOYSA-N 455.602 5.416 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC3(CCCN3C(=O)c3cccc([C@H](C)C#N)c3)C2)cc1 1846830655 YDJCERJFSWZFHV-JOCHJYFZSA-N 463.581 5.420 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 10352923 LZPFZLFXIUHLTP-RUZDIDTESA-N 452.583 5.524 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccccc1 10745486 OQTPBZGQVYRQQD-CQSZACIVSA-N 457.481 6.053 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1C 11163351 DNOCDLPGOWAKPX-UHFFFAOYSA-O 459.679 7.063 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nc2cc(Cl)ccc2c1=O 11501238 LLMJZVCHKUIOBS-HNNXBMFYSA-N 489.066 5.539 30 20 JKED COc1cccc(NC(=O)[C@H](Sc2nc(C)cc(C(F)(F)F)c2C#N)c2ccccc2)c1 21514649 VPEVTTKWUPXDCA-HXUWFJFHSA-N 457.477 5.761 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nc2cc(Cl)ccc2c1=O 21831504 KBZCUBMTRHDRSY-OAHLLOKOSA-N 456.011 5.480 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(C(CC)CC)cc2)cc1 22730226 IIFAIWNZNJVAEW-UHFFFAOYSA-O 475.678 6.944 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)cc1)[n+]1ccc(Cc2ccccc2)cc1 22732021 SUHVXAOHEYYFHU-UHFFFAOYSA-O 465.642 6.487 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2sc3cc(F)ccc3c2Cl)nc1C 22890472 COLOFQHZMNFRLP-UHFFFAOYSA-N 465.988 5.444 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1C 23210068 TVEVMPVJSYFNAR-HXUWFJFHSA-N 498.608 5.130 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 24449293 UTHKQGUHCQSSNN-UHFFFAOYSA-N 482.527 5.526 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCOc3ccccc32)nc2scc(-c3cccs3)c2c1=O 27568148 MMZBEHKWFVAQRG-QGZVFWFLSA-N 495.651 5.105 30 20 JKED CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccccc3-c3ccccc3C#N)sc2C)s1 30137043 ROPXRHZLGVYBHN-UHFFFAOYSA-N 472.595 5.607 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 108180152 YWIQXRTZBHTOCD-UHFFFAOYSA-N 463.647 5.230 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1Oc1cccc(F)c1 108696523 WJZGAWFVMCYPQJ-UHFFFAOYSA-N 485.309 5.668 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 195611384 DYZHDNINKSPYJI-JOCHJYFZSA-N 495.366 5.604 30 20 JKED N#CCCCOc1cccc(/C=C2\CSC/C(=C\c3cccc(OCCCC#N)c3)C2=O)c1 207595851 KJZGYYDDPGAJQY-DFEHQXHXSA-N 458.583 5.835 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccncc1 255929856 ONAJKDIQEDFBRF-GOSISDBHSA-N 482.613 5.773 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H](C)c1cc2ccccc2o1 481317898 ZAKVPTCOUCUMOZ-IBGZPJMESA-N 499.542 5.961 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCOCC1 483319342 ALIZAFCEEMFKJU-UHFFFAOYSA-N 456.542 5.146 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4ccccc4)n3)s2)c(C(F)(F)F)c1 487388198 RBZQNLMSZBFONY-UHFFFAOYSA-N 484.528 5.929 30 20 JKED COc1cccc(/C=C(/CC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2nc3ccccc3s2)c1 499238283 SLTUFZQEOZXIOL-GFHXCNCHSA-N 453.567 5.985 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(Br)c4)C3)cc2)cc1 501157252 BFHNMOCYAMWLDK-QHCPKHFHSA-N 478.346 5.718 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 501158611 FJBFZLVVRQRZKI-RUZDIDTESA-N 477.967 5.647 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2cc(Br)ccc2OC(F)F)o1 504913930 HYRJHCYNHYYRBB-UHFFFAOYSA-N 477.261 5.024 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 508163553 PELLLPKNUAIAHW-UHFFFAOYSA-N 453.567 5.776 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccnc(N3CCCCC3)c2)cc1 508253217 RZYJWWYEMKEGGS-UHFFFAOYSA-N 457.534 5.066 30 20 JKED C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 508369088 IQYXQTYGDLNEHJ-UHFFFAOYSA-N 450.586 5.539 30 20 JKED C[C@H]1CCc2c(sc3nc(SC[C@H](C#N)CCC#N)n(CCc4ccc(F)cc4)c(=O)c23)C1 508426301 NZUSQAVXUAUIEJ-WMZOPIPTSA-N 480.634 5.500 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 511558859 XZNXXFNMORWMIP-DEOSSOPVSA-N 459.977 6.120 30 20 JKED C[C@H](C#N)CN(C)CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 514100247 UQKNJYCIQJWOPJ-QGZVFWFLSA-N 483.435 5.197 30 20 JKED C[C@H]1C[C@@H](C)CN(CCCCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 514137351 FLHPBFFBLKRXII-SZPZYZBQSA-N 450.602 5.167 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cccc(C(=O)N2CCCCC2)c1 515598968 RNTPHGSAGRZKRS-UHFFFAOYSA-N 466.582 5.101 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)o1 515680678 SCYWCZRWBPGHGZ-UHFFFAOYSA-N 469.472 5.303 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 515773107 YVDKHDVGJOVLOW-UHFFFAOYSA-N 473.451 5.779 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc(OC)c1OCc1ccccc1 516331486 VMZPGPDDTUPTCU-HXUWFJFHSA-N 471.538 5.291 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnn1-c1cccc(Br)c1 517305871 IFKXBNUFPVBRGX-CQSZACIVSA-N 472.755 5.091 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4nc(-c5ccccn5)no4)CC3)c2)cc1 517893434 LLOUZEFEYMMODR-UHFFFAOYSA-N 494.555 5.188 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 518180514 OHYODLRQKYNBQL-UHFFFAOYSA-N 497.574 5.957 30 20 JKED N#C[C@@H](NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1cccc(Cl)c1Cl 518207321 FUCNGWFJXRFGSV-LJQANCHMSA-N 495.395 5.109 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2Br)no1 519516510 NBLPRZLRDDVWDV-OAHLLOKOSA-N 486.391 5.971 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 519913563 FSLRCMMOZJONPD-UHFFFAOYSA-N 460.965 6.154 30 20 JKED COc1cccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)C[C@H](C)C#N)c1OC 521014103 INTSQBSBEANGHD-NTWDHKAESA-N 469.585 5.607 30 20 JKED C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 522429284 SBVRKDXPEXKJGP-IDISGSTGSA-N 456.565 5.245 30 20 JKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 523273423 HUAZDUOBGZOHIM-SFHVURJKSA-N 457.530 5.163 30 20 JKED COCCCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 523961306 HZDBAEIEYVUCDS-INIZCTEOSA-N 462.358 5.417 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)o1 524120437 IIMVFIVJIOADFB-UHFFFAOYSA-N 478.961 5.662 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C(C)C)cc1 524261560 WLLDSMNTHVJZEB-XMMPIXPASA-N 456.546 5.150 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1OC 524266758 SOBUPQFUAWWUGM-UHFFFAOYSA-N 490.943 6.400 30 20 JKED COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 524442083 PDLTUHNXDLDFSP-HSZRJFAPSA-N 470.573 5.102 30 20 JKED C=CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1cc(Br)ccc1F 577716292 QTRJCMCWIQLIGS-MRXNPFEDSA-N 476.415 5.467 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccc(F)cc3F)cc2Cl)c1 590276613 IAMMZZIXHBMDDR-UHFFFAOYSA-N 454.860 5.670 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)c1 603972378 YHPLWLGLDUJIGU-UHFFFAOYSA-N 481.415 6.676 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc2ccccc2[nH]1 604131658 UFKMXSGFZIYGHV-QHCPKHFHSA-N 487.947 5.332 30 20 JKED COc1ccc([C@@H](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)NC(C)=O)cc1 609062927 KUSMMIQBIUPGDN-XMMPIXPASA-N 477.948 5.005 30 20 JKED CCOc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OCc1cccnc1 609072501 OTEARBTUBRJEJA-UHFFFAOYSA-N 493.563 6.071 30 20 JKED COCCOc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609079711 HAUYMHPRIUIVJR-UHFFFAOYSA-N 465.937 5.138 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCc1nc2c(s1)CCCC2 609080140 QJWRRMQMKAOMNQ-UHFFFAOYSA-N 460.603 5.535 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)ccc3I)cc2F)c1 609104911 QOZDJGUTXQVDRS-UHFFFAOYSA-N 490.247 5.272 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)NCc1ccc(C#N)cc1F 609252817 UBUIZSCSTSNEME-UHFFFAOYSA-N 470.426 5.599 30 20 JKED Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)ccc1F 609382939 XUDANAHRXWUEMQ-INIZCTEOSA-N 483.590 5.439 30 20 JKED Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)n1 613100825 UHQHHPJOPNITGJ-NHAGDIPZSA-N 466.401 5.659 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)cc1 615001992 SOPRUFIESCZWJW-UHFFFAOYSA-N 481.415 5.910 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 615706608 DWHWDJICMPFMQM-KBXIAJHMSA-N 483.428 5.095 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C1(c2ccc(F)cc2)CC1 616004785 XEWYJVTVOWFKDY-UHFFFAOYSA-N 451.338 5.378 30 20 JKED CCN(C(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C)[C@H](C)c1ccc(C#N)cc1 642066453 MQTPOTAEAIATFF-MRXNPFEDSA-N 468.479 5.172 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(Cn3cccn3)c2)nnc1-c1ccc(Cl)cc1Cl 642150621 SKNFFORUYJOIJG-UHFFFAOYSA-N 499.427 5.414 30 20 JKED C=CCn1c(SCC(=O)c2cnc(N3CCCCC3)s2)nnc1-c1ccc(Cl)cc1 677134350 LFAAKMRAPSXDNO-UHFFFAOYSA-N 460.028 5.206 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(OC)ccc1OC 726398470 UEDKVZUTROCRRQ-LJQANCHMSA-N 495.523 5.093 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CC2)cc1Cl 726408988 KHBBLKPDKIYETP-QFIPXVFZSA-N 474.973 5.488 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(C2CCCC2)C1=O 726413301 XFTMQKGOXFOQQS-QHCPKHFHSA-N 499.608 5.526 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/[C@H](C)c1cccs1 726419068 CAOAZOZXOQPMFB-CKDLXSCCSA-N 468.431 5.631 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1=S 726593042 XBGFNDJSKJBPIM-LJQANCHMSA-N 494.571 5.432 30 20 JKED C=C(C)COc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC 726626886 MHGGGQCSJXHROY-AWQFTUOYSA-N 456.976 5.581 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 726755407 LMPGYANMJGBABY-UHFFFAOYSA-N 467.525 5.032 30 20 JKED Cc1ccc(/C=C\S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 727250290 HTGSOPGHZHMRRL-HJWRWDBZSA-N 463.506 5.345 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 728062484 KTKRULPCBVFGLI-OAHLLOKOSA-N 455.345 5.587 30 20 JKED C#Cc1cccc(N(C(=O)c2ccc(C(=O)N(c3cccc(C#C)c3)C(C)C)s2)C(C)C)c1 728246866 MITCHVZAJSZDMI-UHFFFAOYSA-N 454.595 5.821 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2CCCCC#N)c1 728777363 KKGNLXMKPVUROY-FQEVSTJZSA-N 499.434 5.412 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@@H](c2ccccc2)C2CCC2)C1=O)NC1CC1 729145133 IGWQNLPQPWHFIS-GMAHTHKFSA-N 469.557 5.106 30 20 JKED CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 729318863 DTQGWANUHWNWRU-UYAOXDASSA-N 457.983 5.244 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ncccc3C)C2=O)cc1 729633294 CRVGFGCBHLGGTA-QHCPKHFHSA-N 492.576 5.088 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)cc1F 729634665 QIZSHFLABAGKRK-JOCHJYFZSA-N 480.540 5.137 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCc3c(C)noc3C)C2=O)cc1 730444750 OUJDQCRHTCYCNV-JOCHJYFZSA-N 497.020 5.456 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O 730462102 WIOFFKXFTAYCQJ-NRFANRHFSA-N 455.555 5.127 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(Cc2cocn2)C1=O 730712906 OIZIMJFDUYYWQG-HSZRJFAPSA-N 492.601 5.241 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2cocn2)C1=O 730717866 SQWDALZQSXGWJT-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 730900007 UIKPHEZDUVSFMM-QFIPXVFZSA-N 455.436 5.533 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4cc(C#N)cn4C(C)(C)C)cc3)ccc12 730936883 QCYJHGLUMVEKIL-UHFFFAOYSA-N 455.514 5.361 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2ccccc2F)n1 731075805 KSGBOXHVEJFYIR-CQSZACIVSA-N 455.536 5.139 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C(C)C)cc1 731309140 TWAFWVJVBGSWCG-OAQYLSRUSA-N 494.642 5.441 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 742745913 RZJSQWCQPYTGCD-JOCHJYFZSA-N 495.649 5.249 30 20 JKED CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2cc(C)ccc2F)cc1 744115129 CAGCYBYAKCZUQA-UHFFFAOYSA-O 466.602 5.692 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCCOC3CCCC3)C2=O)cc1 747043820 MJMVYNMTHXCCPM-DEOSSOPVSA-N 494.661 5.062 30 20 JKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 749226676 JCUSXJVSYHXRQS-UHFFFAOYSA-N 498.583 5.549 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cs2)cc1 749312505 HHJCJNGBJLXZFV-QGZVFWFLSA-N 481.549 5.229 30 20 JKED CC(=NOCC(=O)Nc1ccccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F 813875323 JYRAVCBFEIBSKP-UHFFFAOYSA-N 450.445 5.603 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(F)cc1 838487142 XNVNDLZCAHEYTB-QFIPXVFZSA-N 481.524 5.134 30 20 JKED COc1cc(/C=C/C(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 915271452 VSGGZRVBNOZXCU-ZRDIBKRKSA-N 494.469 6.109 30 20 JKED COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 915352767 KBHZTVKEONVGEL-RUZDIDTESA-N 474.992 5.354 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)CC2 915353031 PWOZVKMLXZHNEO-VWLOTQADSA-N 455.558 5.730 30 20 JKED O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 916154491 HXWXDGXNKVRIBG-DEDYPNTBSA-N 457.393 5.531 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccccn2)C1=O 916207468 YSIDMNAXBNHLGX-DEOSSOPVSA-N 488.613 5.374 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccccn3)C2=O)cc1 916207760 KRZDIJYYYHYVJG-HSZRJFAPSA-N 458.587 5.167 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 916213508 FKCUDJUOECYQOF-LJQANCHMSA-N 498.407 5.519 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)cc(Br)c1OCc1ccccc1 916310792 KCEHOZYYNALVCV-UHFFFAOYSA-N 498.402 5.307 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 916451588 KKZJPQBFFQBMBP-UHFFFAOYSA-N 456.933 5.732 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)cc1 916719652 GNNBPJCLLXEXDZ-CZSVHLHGSA-N 498.649 5.047 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1 916897214 VULHWDVNYYKYQZ-HXUWFJFHSA-N 457.580 5.858 30 20 JKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916907532 IUKMZNDODYXVKA-JOCHJYFZSA-N 483.549 5.715 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916919606 YJQXCMQKZUDODP-AOYPEHQESA-N 460.489 5.255 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916929800 ASIXCLUNXQVOGE-HNNXBMFYSA-N 490.343 5.716 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)cc1OC 916935824 WTUFGHIRNXGTAR-JOCHJYFZSA-N 474.582 5.574 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)o2)cc1 916971940 GDRFRSLZYHOKIW-GOSISDBHSA-N 462.556 5.146 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Cl)cc2)cs1 916977454 RAMZECHTPDOUIS-ILGMOKPNSA-N 483.037 5.298 30 20 JKED N#C[C@H](C(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1nc(-c2ccc(Cl)cc2)cs1 916977810 ZQHAFDHBULXMAN-QGZVFWFLSA-N 479.970 5.002 30 20 JKED N#C[C@H](C(=O)CCCOCCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997485 YXVNXXKOQVPUGU-LJQANCHMSA-N 459.398 6.333 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3F)s2)cs1 917560589 RYJSBBUTPNYOEY-DHZHZOJOSA-N 482.989 7.245 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2ccccc2)C=C1 917607473 VRSJAVMGEVJYQT-UHFFFAOYSA-O 493.608 6.130 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)s3)C2=O)cc1OC 917674995 DSGVFPYATKGGRW-QFIPXVFZSA-N 495.626 5.234 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)c1 917713027 KGYIQTNLYDPYNK-UGKGYDQZSA-N 487.572 5.228 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 920140659 IYOVOOMONQFRRC-FOIQADDNSA-N 464.959 5.015 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c1C 920353799 SAFDKHRVCTWARY-JOCHJYFZSA-N 498.555 5.347 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920354484 DAIXPEZLBUJVOA-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1cccc(OCc2ccccc2C#N)c1 920635428 HASKGEGUZNPASK-NRFANRHFSA-N 494.551 5.124 30 20 JKED CCCCCCCCc1nnc(NC(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)s1 920781533 FUIRDUKDKXWIJZ-UHFFFAOYSA-N 469.655 5.274 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805225 BABHRUOSIYTUCT-QFBILLFUSA-N 485.581 5.125 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 921034943 HEMPRYBRDJYXIX-HRAATJIYSA-N 471.513 5.215 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CN(Cc3ccco3)C(=O)OCC)CCC2)cc1 1785842051 GGFAUXSKCKKNQL-UHFFFAOYSA-N 495.620 5.365 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)CCC1 1785966884 LZOYXZOXKNOWHP-UHFFFAOYSA-N 463.654 5.351 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CCC2)cc1 1786366879 CDXGIBLBOYKLAY-UHFFFAOYSA-N 499.533 5.917 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CNc4ccccc4C3)CCC2)cc1 1786391692 QWVXMNYINALAKL-UQBPGWFLSA-N 465.663 5.140 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)CCC2)cc1 1786678915 LBXLGAASDODQEH-UHFFFAOYSA-N 480.033 5.864 30 20 JKED CCc1[nH]nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1Cl 1788303686 SZOMUYGTFFQSNC-MRXNPFEDSA-N 475.980 5.314 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4cc(Br)ccc4c3)cc2)CCC1 1789228238 FULQSVPEENCIDG-UHFFFAOYSA-N 476.374 5.654 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)ccn1 1789751050 IXPNPIQRARCYMS-UHFFFAOYSA-N 478.474 5.342 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790838507 RZCCCPGOQSEVQO-UXHLAJHPSA-N 490.007 5.108 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790870836 BCVKYDFADFFPOD-HSZRJFAPSA-N 477.992 5.209 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCCCCCNC(=O)OC(C)(C)C)CCC2)cc1 1791584931 MNTXSSASGFBMRJ-UHFFFAOYSA-N 483.653 5.399 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4CNc5ccccc5O4)CCC3)cc2)c1 1792124778 HNNJBPHBXFFLDK-NLFFAJNJSA-N 494.595 5.325 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4C4CC4)CCC3)cc2)cc1C#N 1792169532 PHECTCSNYXCXLL-RPWUZVMVSA-N 457.574 5.139 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccccc4)cc2)C3)cc1 1792482561 NONFTIOWADAPRN-OOSCYNTBSA-N 479.580 5.235 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(F)c(C#N)c2)C3)cc1 1800604630 BLVOBJPOQOLIOW-QEIWAGNOSA-N 481.571 5.167 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1802503068 PSKHUARLKNDEGH-AVRDEDQJSA-N 491.529 5.552 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4CCC[C@@H]5CCCC[C@@H]54)CC3)C2)cc1 1804759504 ZKSUBROHUONURM-GMQQYTKMSA-N 475.677 5.329 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)C2)cc1 1804762849 LEVAAGOYRQLOSC-UHFFFAOYSA-N 484.427 5.343 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)cc4cc[nH]c34)CC2)C1 1805457072 RQHHKDFUMICCJS-UHFFFAOYSA-N 498.465 5.544 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c(C)oc4cc(O)ccc34)CC2)C1 1805457105 SUMLXSZHVKKDSE-UHFFFAOYSA-N 450.579 5.060 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1806027130 TWKYJQZSGFWPQB-HSZRJFAPSA-N 485.628 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)C2)CC1 1807696024 KSENSYHXEIORPJ-DEOSSOPVSA-N 463.597 5.434 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccnc3s2)[C@H]1c1cccnc1 1809170455 NPGQEOLYQCLOGK-RBBKRZOGSA-N 462.619 5.003 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccsc3[nH]2)[C@H]1c1cccnc1)c1ccccc1 1810443372 HKYRCFCDMDBTGZ-GNKBHMEESA-N 496.636 5.141 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccsc2)[C@H]1c1cccnc1)c1ccccc1 1810445836 ISRADDYQPYOTJM-TYNBYQPNSA-N 483.637 5.060 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2sccc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811099838 UWIWIYBVGLEAFT-GPXNEJASSA-N 492.044 5.313 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccccc4)c(F)c3)[C@H]2c2cccnc2)C1 1811438529 NFUCRYVLIKQYKP-WNCULLNHSA-N 469.560 5.174 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)c1 1811723080 WKOJXVUIFAEMJL-GAJHUEQPSA-N 490.585 5.002 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811753145 UNNNKQLUVRUMCE-YADARESESA-N 493.394 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1812128639 GKMHOOZVGNKIHH-WMZHIEFXSA-N 464.635 5.245 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1813863011 BWVYPVMTLKTGBY-GFYUWQPVSA-N 484.625 5.193 30 20 JKED Cc1ccc(OCCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1814631876 NLHRDDJUEYQXSL-QFIPXVFZSA-N 491.979 5.018 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)[nH]n1 1814826852 IRFIKWCEPFXRLS-NLFFAJNJSA-N 475.637 5.235 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1814828896 WWGFRHNWFAZCFX-OAQYLSRUSA-N 465.985 5.619 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)Sc3ccccc3)n[nH]2)c1 1815096488 PKVTYCJBIOHLTF-FDDCHVKYSA-N 473.602 5.077 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)[nH]n1 1817124087 UKWAGIKZKIUOCM-DEOSSOPVSA-N 493.567 5.965 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1 1817588826 AGXMHMSVLXHLAM-GBXCKJPGSA-N 459.594 5.284 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@@H](S)C(C)C)[nH]n3)cc2n1 1818970202 GVPYOWLULTWAGG-UNMCSNQZSA-N 486.041 5.180 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4c(s3)CCCC4)n[nH]2)cc1 1819038479 HODURKFBDLJZCK-OAQYLSRUSA-N 473.602 5.036 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)[nH]n1 1819309561 CYXQGBYAVXZYNC-RDPSFJRHSA-N 477.584 5.423 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3)n[nH]2)c(Cl)c1 1821132029 SNXQVZCMQVKLQA-FQEVSTJZSA-N 499.905 5.156 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157283 FQOCMUCVSFAFPE-VWLOTQADSA-N 471.605 5.317 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1 1821279450 CGDTWUFNOKGKAW-QFIPXVFZSA-N 494.020 5.205 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)[nH]n2)c1 1821324420 WQGDCJQAGSGHPO-RUZDIDTESA-N 490.567 5.272 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)c(C(F)(F)F)c2)n[nH]1 1821861303 OKTKKFHUQKDCMN-KUHUBIRLSA-N 466.479 5.015 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)[nH]n1 1822404827 ZFTQCMGPOXSRJL-FQEVSTJZSA-N 487.585 5.009 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)nc2C)n[nH]1)c1ccccc1 1822652235 NCANWYQCFSLZQK-BDYUSTAISA-N 497.643 5.244 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)c1 1823278032 BCHQHJZNEMUBDM-SPLOXXLWSA-N 497.933 5.588 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CC2)C1 1823700020 IBLYDGVRYAJCBE-HHHXNRCGSA-N 482.628 5.429 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(F)c(F)c2)CC1 1823978870 OLSRNJVKAMJTAN-RCZVLFRGSA-N 458.593 5.286 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1824499870 QVHGPUOAOJGEGA-JOCHJYFZSA-N 472.626 5.257 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1)c1ccc(F)cc1 1824544463 OPPGCQKUIXQQPP-TZRRMPRUSA-N 462.675 5.139 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1825767101 YZBUIDQJIANVCH-VWLOTQADSA-N 482.584 5.069 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3)CC2)c1Cl 1826368988 NGYBWKSNVHHYBB-DEOSSOPVSA-N 464.009 5.078 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826671634 QNJUMVIZUMUJPE-SFHVURJKSA-N 482.440 5.420 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc4ccoc4c3)CC2)c1 1827503686 NQMAWYKMMHWVAA-DFBJGRDBSA-N 470.573 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1827530994 SDRLBYNLHVIDNI-HSZRJFAPSA-N 499.099 5.776 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)oc2ccccc12 1828127510 IMOJBFILDYPYIP-VWLOTQADSA-N 487.575 5.228 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828157314 YSFJGCLXBVOTDC-VWLOTQADSA-N 469.576 5.448 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828351920 YFBBUSAVZJHANY-ZUSJUXBOSA-N 460.618 5.834 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1828826243 AFGTYGIBYORXFA-AZGAKELHSA-N 481.656 5.428 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3cccn3)cc2Cl)CC1 1828827436 MXKVOACBFPJXLO-OZXSUGGESA-N 495.067 5.527 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccccc3o2)CC1 1828907169 WVSJBMFGUUHHBL-HSZRJFAPSA-N 479.697 5.112 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2onc3ccccc23)CC1)c1ccccc1 1829034616 APJWGCJYNHZZAK-SQHAQQRYSA-N 483.612 5.258 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829450955 IBJKHHSZXPUCMB-MRXNPFEDSA-N 461.480 5.207 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1829452093 SQPVUZYTPKRLSZ-HXUWFJFHSA-N 490.456 5.403 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3Cc4ccccc4C3)CC2)c1Cl 1829691213 KCDMYEUAYVELGI-SANMLTNESA-N 490.047 5.250 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2F)CC1)c1ccc(O)cc1 1829889729 ZBSRDQBFHJQOKU-AJTFRIOCSA-N 494.582 5.101 30 20 JKED CO[C@@](C)(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1)c1cccc2ccccc12 1830158962 GCEYDGRKRZGWPC-IWVFXYMLSA-N 496.717 5.276 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830188974 MSGDPWRJQSPLJG-HHHXNRCGSA-N 488.031 5.035 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)CC2)c1 1830514574 CECLZGQIFJZAKS-GKVSMKOHSA-N 483.534 5.278 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830876096 JNYYYUUDZXHJQP-RUZDIDTESA-N 466.025 5.315 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830979296 GQLVHTAQMZXQCH-NBGIEHNGSA-N 473.617 5.873 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831018969 FXCQGQMJSWKNFH-QFIPXVFZSA-N 475.967 5.333 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1831376365 PSUXQWUAJBJLMS-IERDGZPVSA-N 454.508 5.290 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1831446672 DQHLQRNFPPXJCB-IBGZPJMESA-N 460.899 5.063 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2Cc2ccc(F)cc2)CC1 1831718322 QSPKRNFDIYQQBJ-HHHXNRCGSA-N 462.609 5.155 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832629853 VUXIXIUZDRQNSI-HSZRJFAPSA-N 471.935 5.037 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1C#N 1832704743 SBAOYMYJCYDUEX-VKFUJIGZSA-N 491.676 5.405 30 20 JKED COc1ccc(/C=C2\N=C(SCc3cccc(C#N)c3)N(c3ccc(OC(F)F)cc3)C2=O)cc1 9501460 AJNXIYPBSLHHDN-UCQKPKSFSA-N 491.519 5.845 30 20 JKED C=CCn1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9825644 PHPIOCGBGBBDQG-UHFFFAOYSA-N 458.374 5.087 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCc2cc(C#N)ccc2F)cc1Cl 10617555 IYSZDZTZFIYRLQ-RGVLZGJSSA-N 483.977 6.098 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1 10828134 VRWAYOTWXUYKAJ-UHFFFAOYSA-O 475.996 6.408 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1cccc(Br)c1 11084825 BPFMOCYVTJUESK-UHFFFAOYSA-O 476.366 5.628 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(N3CCCCC3)n2C2CC2)n(C2CCCCC2)c1C 11372691 AAWJRDOLASINDU-UHFFFAOYSA-N 481.670 5.129 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)c3cnn(C(C)C)c3n2)c(C)s1 14326197 UTRJMEJVJFRICT-QGZVFWFLSA-N 493.633 5.246 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccnc2Cl)nc2sc(-c3ccccc3)cc2c1=O 16715727 NXICLJBNWCFOQM-AWEZNQCLSA-N 483.018 5.479 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 17012449 ICCIFRJJRMORON-GFCCVEGCSA-N 460.342 5.101 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 20069594 LVUKGSBVFVURMM-UHFFFAOYSA-N 458.918 5.410 30 20 JKED CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 20985474 KJRNROKWNHPHQA-INIZCTEOSA-N 459.575 5.030 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)n(C2CCCC2)c1C 21446628 GRNZTYQOAUDOCI-UHFFFAOYSA-N 485.013 5.173 30 20 JKED CC(C)CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2ccccc2c1=O 22294406 FEXWDOVXDMZRTJ-SFHVURJKSA-N 466.582 5.009 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 22728392 KNMJUFNVAHFZIC-UHFFFAOYSA-O 489.567 5.903 30 20 JKED O=C(/C(=C(/S)Nc1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1)c1cc(F)ccc1F 22730577 QFANORDYOHSKMU-UHFFFAOYSA-O 493.986 6.547 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 23404853 NLIQIIBMVXDDJH-INIZCTEOSA-N 496.633 5.089 30 20 JKED C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc(C#N)cc1 26129200 AZJJLJOYCVGEKE-INIZCTEOSA-N 477.977 5.081 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(Cc2cccs2)C2CC2)c1 30303703 AVZCFJIMMIJLCX-UHFFFAOYSA-N 487.046 5.588 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)c2)c1 31776654 JQYAWYUVVVQJGX-UHFFFAOYSA-N 450.420 5.144 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)nnc1-c1ccco1 45841887 CRXWSCVZBSHUNV-UHFFFAOYSA-N 465.604 5.504 30 20 JKED CCCCCCCCCCCCN1C(=O)c2c(Br)ccc(Br)c2C1=O 97950276 HKMKLXCAPVYMRT-UHFFFAOYSA-N 473.249 6.729 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)CC1 108169905 NXTPOBWTWDEMEF-UHFFFAOYSA-N 496.502 5.344 30 20 JKED C=CCn1c(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)nnc1-c1ccccc1OC 109208439 FFHZAZQLLHRRTE-UHFFFAOYSA-N 461.566 5.246 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nnc1-c1ccoc1C 115027656 SHZCYTQHHLAFCN-UHFFFAOYSA-N 486.022 6.119 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4Br)o3)cc2)cc1 195704309 KHHQVGIAMUYFHT-UHFFFAOYSA-N 488.341 6.339 30 20 JKED CC(=O)N(CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)Cc1ccccc1 303204496 PBZARFJULKTOBM-UHFFFAOYSA-N 461.949 5.168 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@H](c3ccccc3F)C2)nnc1-c1ccc(Cl)cc1 410295807 CVGSCYXPSWEYRL-KRWDZBQOSA-N 456.974 5.032 30 20 JKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 480917182 MTUXWPVVHRWVEF-UHFFFAOYSA-N 467.500 5.027 30 20 JKED COCCN(C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1cccc(C(F)(F)F)c1 487573057 IROTWQFIIIINRN-GFCCVEGCSA-N 480.380 5.038 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 489060467 CBBJXHLUEQROBZ-UHFFFAOYSA-N 452.436 5.407 30 20 JKED Cc1ccc2sc(N(Cc3ccccc3)C(=O)CCc3c(C)nc(O)c(C#N)c3C)nc2c1C 499156556 IVXJZZOZSVKZTR-UHFFFAOYSA-N 470.598 5.668 30 20 JKED Cc1cc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2[nH]c(C)c(C)c2c1 501133096 NOFKSYPKIMIPCF-UHFFFAOYSA-N 452.558 6.060 30 20 JKED CC(C)(C)OC(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1 503540125 KOYRDYFUCQOCDM-FQEVSTJZSA-N 495.564 5.313 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 508274301 MHPRZHBTKLATQN-LJQANCHMSA-N 460.509 5.146 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 510694259 WTUFKUAHECYIAV-UHFFFAOYSA-N 472.520 5.050 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(OC)c1 511354284 WWWIQMWWTROQQI-AREMUKBSSA-N 471.557 5.718 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C 514358700 XOSCLAWNTHTCFB-KRWDZBQOSA-N 484.647 5.092 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccccc1OC 514954845 MFQBRTHRACBURG-WMZOPIPTSA-N 454.621 5.046 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)c1nc2ccccc2o1 515597288 HEZIAYVUEFITBT-QGZVFWFLSA-N 461.403 5.313 30 20 JKED C=CCN(C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1nc2c(s1)CCCC2 516071878 TXPVPBYOSTZQPB-UHFFFAOYSA-N 465.579 5.303 30 20 JKED C=CCn1c(SCCCNC(C)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 516377864 OXYVQCPSAINAHZ-UHFFFAOYSA-N 457.603 5.273 30 20 JKED CCc1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 517121613 GZNRDPFNPSZVLK-RUZDIDTESA-N 471.988 5.688 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2)c(C)c1Br 517891269 RLBFUDPHRLJDMU-GOSISDBHSA-N 478.375 5.260 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2Cl)cc1 519504877 URLOMWQWGWSJQH-UHFFFAOYSA-N 480.996 5.697 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 521113095 AQMFIPRWZSPIBB-UHFFFAOYSA-N 450.464 5.469 30 20 JKED N#C[C@@H](C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc(-c2c(F)cccc2F)cs1 521262376 KPWRUMLFBTZCCI-HNNXBMFYSA-N 454.889 5.477 30 20 JKED Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)ccc1F 521291995 GMJMVTSHIGPSBV-FQEVSTJZSA-N 492.359 5.236 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 521476172 NVKADFOOLXIAOV-UHFFFAOYSA-N 464.481 5.198 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 521542969 YDBIXKSNUGIGCU-UHFFFAOYSA-N 474.582 5.017 30 20 JKED Cn1ccnc1[C@@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccccc1F 521821876 CAKURJXIPUDHJB-HKUYNNGSSA-N 461.381 5.310 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)oc3ccccc23)s1 523321182 CNWCALHKGKVCHQ-UHFFFAOYSA-N 489.607 6.133 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)c1cccc(C(F)(F)F)c1 524260193 TXFBMLHAJLWQCO-IBGZPJMESA-N 461.484 5.206 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 557535245 WBHJJLJGBDCPER-IBGZPJMESA-N 451.595 6.643 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 558903690 MYLSSAOCAZNHKN-QFIPXVFZSA-N 498.583 6.059 30 20 JKED Cc1cccn2cc(COc3ccccc3C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)nc12 602229442 QENIQHDXNLXXBJ-UHFFFAOYSA-N 479.565 5.393 30 20 JKED CC(C)c1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cnn1-c1ccccc1 603507136 ITIGIPCZUJRDSO-UHFFFAOYSA-N 460.588 5.263 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 603708364 DYOLPVQENDJAIL-SANMLTNESA-N 488.503 5.336 30 20 JKED CCc1ccc(OCc2nnc(S[C@H](C#N)Cc3ccccc3)n2Cc2ccccc2)cc1 603990118 JOEOQEANFHFGIJ-VWLOTQADSA-N 454.599 5.695 30 20 JKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 604085759 UBURULGNNBEUGX-DEOSSOPVSA-N 454.530 5.058 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCSc4ccc(F)cc43)cc2Cl)cc1 604141110 WWIWWOFPXDYYDW-FQEVSTJZSA-N 481.936 5.435 30 20 JKED CC(C)c1nc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nn1-c1ccccc1Cl 604523948 PJAKJSZKZFUJGW-UHFFFAOYSA-N 458.909 5.355 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 608940326 WUOJZJZUFPQKFG-UHFFFAOYSA-N 482.584 5.562 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C#N)ccc2OC(F)F)c(OC)c1 609066665 HATBTJGCFDQEKP-UHFFFAOYSA-N 491.494 5.896 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C(F)(F)F 609177453 VNJUFBNVIDYOKP-UHFFFAOYSA-N 462.431 6.116 30 20 JKED COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC(Oc2cccc(C#N)c2)CC1 609195541 QRAXHUKKVLNEIU-HHHXNRCGSA-N 455.558 5.099 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)O[C@H](C)C2 609356013 SOUIQGAGYCXOTR-XORNHQRDSA-N 470.529 5.145 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 609369953 TWBAOSZJGBYYMI-OAHLLOKOSA-N 467.595 5.544 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427164 RFZLGNRNHHTCPJ-QHCPKHFHSA-N 492.373 5.506 30 20 JKED O=C(Nc1ccc(Br)cc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542448 RQJNSYUDVFENHZ-HTQZYQBOSA-N 487.160 6.063 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 622600399 WHKOVLYIXYKLHZ-LBPRGKRZSA-N 475.311 5.579 30 20 JKED COc1cc(CCC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 624074311 UUFLPWIBRLRCML-CHWSQXEVSA-N 495.382 5.595 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C2CCCC2)C2CC2)c1 641976186 MLCBUNDIPWXYPJ-UHFFFAOYSA-N 459.011 5.269 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642714523 MLRUXDCOLMBXFU-NXEZZACHSA-N 454.308 5.553 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1[C@H]1COc2ccccc2O1 645079262 MVBWJBGCOBPFBS-YNAUYEQNSA-N 465.619 5.243 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 726393404 OIOAPRNJCUDCAA-ORAYPTAESA-N 498.407 5.518 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@@H](C)c1cccs1 726422451 WDJAAHVBFPDVLQ-QTTWMTAASA-N 483.581 5.813 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)cc1NC(C)=O 726429387 SZOPTPLICNITTK-NTPDMAOXSA-N 461.358 5.422 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccc(C(C)(C)C)cc2)c1 726573845 SOGPOKWZQRSTTE-UHFFFAOYSA-O 482.456 6.883 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 726755954 PKNYIXPFSKHWFB-UHFFFAOYSA-N 474.520 5.363 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1cccs1)c1cccs1 728430169 OLIUQYOXFSAKFS-CYCDVZIASA-N 480.640 5.271 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CCCCC#N)c1cccs1 728777170 DRLIKHAKWFDCEQ-VNJMFPOXSA-N 490.654 5.985 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Br)c1 728780792 ZGROIJURZJMVPK-LJQANCHMSA-N 485.407 5.103 30 20 JKED CCN(C)C(=O)c1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)c1 729125921 SRDAIGVMAJXDMT-IBGZPJMESA-N 495.645 5.048 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)cc1 729144554 DJJCOPPSMZZZKC-NRFANRHFSA-N 478.643 5.537 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 729566930 YNMUQTSRCJHWQU-FQEVSTJZSA-N 480.565 5.222 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1c(C)cccc1C 729630966 IGDFTMWIRUJZQM-QFIPXVFZSA-N 494.567 5.446 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1sc2cc(Br)ccc2c1Cl 729889161 LNFJFUBWEWTIAT-LLVKDONJSA-N 468.159 5.932 30 20 JKED C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)N1CCC[C@@H]1c1cccs1 730605589 GKKTYYQVOKXQDJ-HRAATJIYSA-N 464.518 5.460 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cocn3)C2=O)cc1Cl 730719757 CLFCCPLDMGVXGI-LJQANCHMSA-N 490.919 5.075 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 731067071 USJQRNMKIBPZFU-CPJSRVTESA-N 498.608 5.570 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Br)cc1 731070865 ODPOKBSTWCAFHK-HNNXBMFYSA-N 475.408 5.160 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1ccc(Cl)c(Cl)c1 731077380 MGRONGYWCMNYBD-CQSZACIVSA-N 451.375 5.502 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2CCC(c3ccccc3)CC2)cc1 731133126 WKMHJVUMUCPERK-AISLOGHRSA-N 451.570 5.371 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccccc3Br)n2C)cc1 731192575 GELPHVZFGKBTSQ-UHFFFAOYSA-N 452.352 5.414 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccc2F)C1=O)Nc1cccc(O)c1 731305007 DTBUKGDGKWMSGA-NRFANRHFSA-N 483.952 5.345 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1c[nH]c2ccccc12 731311120 WWZFHEMNYYVFKF-VWLOTQADSA-N 498.608 5.385 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 731316499 ZJNXJYRAIBHAGO-QVKFZJNVSA-N 497.646 5.008 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cc4ccccc4[nH]3)C2=O)c1 746694992 ARDUDWAGIKJNHS-XMMPIXPASA-N 484.581 5.337 30 20 JKED C=C(C)COc1cc(/C=C(/Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)ccc1OC 747063607 OCRWWAASSQJNMV-LZYBPNLTSA-N 450.844 5.642 30 20 JKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 747335798 HKWYZZOWLSGQNQ-UHFFFAOYSA-N 491.595 5.127 30 20 JKED COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)cc1 747434770 QVSSHGRPBGVAAG-KETZHDHUSA-N 463.541 5.339 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O 747598650 CNCLPUKADUSUME-OAQYLSRUSA-N 498.605 5.232 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 747957774 AHFSNYPLDQHMMU-ZDUSSCGKSA-N 496.570 5.104 30 20 JKED C#Cc1cccc(N(CC(=O)NC)C(=O)c2oc3ccccc3c2CSc2ccccc2F)c1 749507269 MJLCMGZNPRFRMO-UHFFFAOYSA-N 472.541 5.238 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)ccc1OCC(F)(F)F 750923815 WJHWFRVUMFVCHN-UHFFFAOYSA-N 477.295 5.373 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2F)C1=O 837302128 SCZASIHGZNBDNI-QFIPXVFZSA-N 481.524 5.134 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccc(F)cc1 838483985 UVEZDDNRYGLCAH-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccc2ncccc2c1 840200345 PSTOBOFTRVTNBU-DEOSSOPVSA-N 457.530 5.702 30 20 JKED C[C@@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1 849191772 SAADEFBFVSNWKL-ZSYKKXJESA-N 476.577 5.034 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1 875260043 YXMPHXQEQQZXFP-UHFFFAOYSA-N 452.557 5.074 30 20 JKED C=CCn1c(SC[C@H](O)c2cccc(Br)c2)nnc1-c1ccc(Cl)cc1 913113478 HLODKFAPMJEMKY-KRWDZBQOSA-N 450.789 5.373 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(SC(F)F)cc2)cc1 914538767 WWOPZXPYIBQUSX-IBGZPJMESA-N 475.586 5.110 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 914689904 CUUDOXBPBOQLOT-SPLOXXLWSA-N 487.503 5.288 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCc2ccccn2)C1=O)Nc1ccccc1F 916213125 ZIONFSAATBIMQD-NRFANRHFSA-N 482.968 5.077 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546278 JKHAQSKZYCLENN-UHFFFAOYSA-N 457.390 5.313 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 916885133 NLGIAWPDIHHWIO-INIZCTEOSA-N 463.868 5.752 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908704 NNIOLTYXSFSHBK-SFHVURJKSA-N 475.570 5.795 30 20 JKED Cc1ccc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 916926973 AWTPMQCSYRXSJW-GBXSZLQWSA-N 452.135 5.425 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 916946474 VTRGZDJMGHYDNW-GOSISDBHSA-N 486.403 5.886 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)cc1 916950513 UMFCADIARKLXAR-GCJKJVERSA-N 475.618 5.227 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 916955696 SYOIOAQJBCOBDH-FOIQADDNSA-N 451.979 5.867 30 20 JKED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1 917035208 OOJRRAYDPIQGMF-JQZHBYGZSA-N 464.974 5.158 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 917662440 AQNOYPLEWVZVGN-SBUREZEXSA-N 491.592 5.008 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2S[C@@H](C#N)Cc2ccccc2)cc1 917830322 OFIVAQNTTWEDFI-ZZAWEDPDSA-N 467.550 5.336 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2cccc(C#N)c2)NC(=S)N1CCc1cccs1 917999708 IFBGBWXVZVNCFX-OAQYLSRUSA-N 494.045 5.055 30 20 JKED Cc1sc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc1-c1ccc(Cl)cc1 919904407 KUGIRXBTGNQJIC-HSZRJFAPSA-N 473.001 6.749 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc(-c2ccccc2)cs1 920113129 AVXIHNOVCZHVFG-JOCHJYFZSA-N 477.545 6.228 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 920169244 RLSOQBYNXQCEIA-FTJBHMTQSA-N 494.620 5.192 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3c(C)noc3C)C2=O)c1 920353656 OVDSQJYLUXYSOH-XMMPIXPASA-N 490.629 5.686 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1c(C)noc1C 920354426 CNUDYARROIAATO-JOCHJYFZSA-N 480.565 5.153 30 20 JKED C[C@H](COCC(F)(F)F)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 921255338 ZAPNDELVPYHMPA-KDOFPFPSSA-N 499.942 5.268 30 20 JKED C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1286961174 LTBYXGOPVBWVRD-YDHLFZDLSA-N 473.341 5.000 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3Cl)CCC2)cc1 1786393660 KLYUFOXMAHEALU-QGZVFWFLSA-N 496.858 5.200 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4CCCCC4(F)F)cc3)CCC2)ccc1F 1786464835 JAESXIQRNMZSKH-OAQYLSRUSA-N 469.507 5.199 30 20 JKED CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cn1 1787257234 CRGLDYVVPULGLV-UHFFFAOYSA-N 458.949 5.231 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cc2)CCC1 1788394868 VEFONGNOJLWTQR-HXUWFJFHSA-N 492.579 5.016 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)sc1C 1789984784 LUVZMSOBAKJOQP-INIZCTEOSA-N 458.587 5.449 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)COC5)CCC3)cc2)c(Cl)c1 1790766857 FARVEAXJHGCGBH-UHFFFAOYSA-N 471.944 5.303 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791243754 DTZRFYDKWMKLMV-YUXAGFNASA-N 469.626 5.026 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccnc(C)c3)CCC2)cc1)c1ccc(O)cc1 1791646270 ICCQANAZOZQQNA-RUZDIDTESA-N 495.623 5.360 30 20 JKED COC(=O)CCCCCC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1791662678 WKXZZVXRRVXOOG-UHFFFAOYSA-N 484.713 5.295 30 20 JKED COC1(CC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)CCC1 1792168861 IRZXFMPFQNJIIW-UHFFFAOYSA-N 475.589 5.052 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1)NC(=O)OC(C)(C)C 1792206902 VIRUSXQZCBZRHP-HSZRJFAPSA-N 495.664 5.560 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)cc1 1793214074 VVYFGRMDSVADBR-MRBABJFDSA-N 476.020 5.437 30 20 JKED O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C2)c1cccs1 1796898063 YSPDROQSGWYGMS-YEXBIGLPSA-N 496.938 5.111 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(s2)CCCC3)cc(C(F)(F)F)c1 1798040771 LFBAEYCZDZOGNC-ACDBMABISA-N 487.547 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C2 1798591697 AWSPZLSNWGYCQR-BJWYYQGGSA-N 456.936 5.603 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCCCC(F)(F)F)cc1)C2 1798591989 XXKGCYWHVUBQHG-WKCHPHFGSA-N 480.571 5.652 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc(Br)c1C)C2 1798592045 BXZNNAPZLABGAZ-BCDXTJNWSA-N 465.407 5.141 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1802501485 YPDUNAFGTMNPDB-SXOMAYOGSA-N 482.628 5.456 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1803084116 NHZVNDOFHNOPJF-DHLKQENFSA-N 457.574 5.224 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1803091789 REXDUECDWNIUHG-BWKNWUBXSA-N 482.024 5.222 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cccc(O)c4cc3OC)CC2)C1 1804866530 FCJQJBMGLPCEOK-UHFFFAOYSA-N 478.633 5.391 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(F)ccc3Br)C2)CC1 1805121960 OJBLQQAKWLRATC-LJQANCHMSA-N 477.418 5.201 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)C1 1805458322 ICVSEKWQJPZQTJ-UHFFFAOYSA-N 466.025 5.501 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)C1 1806065228 CPFUBSTZNFDARH-NRFANRHFSA-N 471.494 5.112 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC4(CCN(C(=O)c5ccc(CC#N)cc5)CC4)C3)c[nH]2)cc1 1807426237 UWEIWOKRPUSTAF-UHFFFAOYSA-N 480.612 5.215 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(C)C)nn3ccccc23)[C@H]1c1cccnc1 1807915540 QGULJKXJVUPRAN-BKMJKUGQSA-N 487.648 5.165 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4cc(C(C)(C)C)oc4C)C3)CC2)c1 1808381897 XYZJAJZGAMACHK-UHFFFAOYSA-N 461.606 5.224 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc3cc[nH]c23)[C@H]1c1cccnc1)c1ccccc1 1809448497 VNGAVDRRIWFKKC-QXTIUPHPSA-N 490.607 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(C)c3[nH]2)[C@H]1c1cccnc1 1809747114 IDPBQAXYACKEGH-RCZVLFRGSA-N 458.606 5.183 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3scnc3c2)[C@@H]1c1cccnc1 1809947248 FXCHDSACEFZHLS-OFNKIYASSA-N 462.619 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1810493373 ZHZBWSTZXAGTOY-HYBUGGRVSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1810505505 WYBXROLHAHFBGM-AVRDEDQJSA-N 474.432 5.700 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c(Cl)c1 1810685549 KVPIUUVEWFEMSQ-FDDCHVKYSA-N 497.357 5.033 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(F)c2)[C@@H]1c1cccnc1)c1ccccc1 1811810443 PUBFXHQLXFZFOV-NSVAZKTRSA-N 483.587 5.046 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1813231901 ZTPHVVSIBZJZII-JPYJTQIMSA-N 491.941 5.267 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(C)s2)[C@@H]1c1cccnc1 1813369752 BYLVCFLBHCQMNB-DSQTUEOOSA-N 451.636 5.163 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)cc1 1814500378 QMOHBYPDXPFPMZ-JOCHJYFZSA-N 487.947 5.230 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)[nH]n1 1814828808 JSJPGHJVAQDALY-AVRDEDQJSA-N 452.521 5.088 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815209167 ZLTRRJVNYAHLTK-XMMPIXPASA-N 488.588 5.491 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815244837 AHKAEOPAKMPHMA-ZJSXRUAMSA-N 478.618 5.462 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@H](S)C(C)C)n[nH]3)sc2c1 1815249565 YYGFBUSPTLPRTH-DYESRHJHSA-N 456.637 5.193 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1818145080 UESBUWBRSXIYGN-QFIPXVFZSA-N 498.518 5.004 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4cccc(Cl)c4)CC3)n[nH]2)c1 1818793905 MGTUGRAUCJWANG-QFIPXVFZSA-N 491.954 5.112 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@]3(F)CCCCC3(F)F)n[nH]2)c1 1818891342 GTQXIYLQCXMGDP-NKNQFRNOSA-N 487.526 5.260 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)[nH]n1 1819309498 VPESNEACCUSTDY-NQIIRXRSSA-N 471.001 5.536 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)[nH]n2)cc1 1821179323 AQZMVYCNANVDOU-SANMLTNESA-N 490.567 5.157 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1cccs1 1821279796 IQJMIXJBCVNESQ-LIRRHRJNSA-N 467.982 5.106 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)[nH]n1 1822398508 AHLXSXPYTPKQFX-INIZCTEOSA-N 473.396 5.269 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3sccc3Cl)[nH]n2)cc1C#N 1823293105 YYSQJQOCLPVIEW-IBGZPJMESA-N 498.008 5.403 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)C1 1823702926 FPCJCFVVWPWPTB-QHCPKHFHSA-N 463.449 5.512 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccoc3)CC2)cc(C(F)(F)F)c1 1825055131 CYYJJUKYMPITRV-NVIZVJJSSA-N 485.506 5.117 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CC2)CC1 1826682783 AHWPSIHQIIWTQK-FTJBHMTQSA-N 491.582 5.422 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1827507453 XFEZSVBUPLMSKP-VWLOTQADSA-N 481.040 5.285 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828498389 VBEZBEPLUCDFST-KBMIEXCESA-N 499.055 5.231 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1 1828673105 YSZHNXURDYTCEV-XMMPIXPASA-N 495.765 5.581 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1828821374 LVCAYCBQCYGDIC-DNQXCXABSA-N 489.701 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1 1828821904 UKPYDAKEIUHNHJ-NHKHRBQYSA-N 491.720 5.287 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828828932 VBIHIQDGTSFPPK-RPLLCQBOSA-N 475.633 5.245 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cncc(C(F)(F)F)c3)CC2)c1 1829418871 DFSWQRRBUGCUSF-MHECFPHRSA-N 498.549 5.275 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)cc2c1 1829690381 ZGUQIVDOHLXOEW-VWLOTQADSA-N 489.019 5.549 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1830011989 MZPQOCSJPYGELN-KAYWLYCHSA-N 457.618 5.231 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1830054892 KOEFLQZPDVBRCB-MHZLTWQESA-N 457.618 5.158 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830111456 LZUSDFCAQZEGLU-DEOSSOPVSA-N 480.008 5.157 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830450181 UXGGGTPHBSPJLZ-IAPPQJPRSA-N 478.583 5.531 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1830595901 OBOGDFZABIDOKF-XMMPIXPASA-N 464.009 5.262 30 20 JKED Cc1ccc(OCCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830720959 PPDDNDIKTUWPCH-SANMLTNESA-N 494.035 5.223 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830730322 FFMQBOXAWFPZJH-NRFANRHFSA-N 485.427 5.349 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1831693111 XBTDBMDDZTVLHQ-TVVIERGWSA-N 470.679 5.323 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1831840130 BYYGRMHBLZXTSW-KDOFPFPSSA-N 451.057 5.106 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3F)CC2)c(Cl)c1 1832395153 JCSFPBYTRSAHRR-VWLOTQADSA-N 481.999 5.217 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1832633252 DZLWGXQBFZZNSV-AVRWGWEMSA-N 481.999 5.653 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832691029 VJWPNYLNFVLXGX-NRFANRHFSA-N 450.957 5.045 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1832920014 NCQUNXLHEBZKMX-BJKOFHAPSA-N 489.701 5.068 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 1837435757 NTKDPSCUKISHIO-UHFFFAOYSA-N 495.161 5.065 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1838277216 QDWKSGGHHOYRAW-LOSJGSFVSA-N 487.084 5.435 30 20 JKED C#CCCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)C1 1844743545 CSTIKXNXXJFKSX-UHFFFAOYSA-N 482.983 5.165 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Oc4ccccc4)cc3)C2)c1Cl 1845313117 VTWNQVFLBNJJAG-UHFFFAOYSA-N 471.944 5.135 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(C)cc1C 10168531 SXVVECFWWDLRQL-UHFFFAOYSA-O 458.434 6.511 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10170900 UGTAAVJPDOFIKO-UHFFFAOYSA-O 453.587 5.624 30 20 JKED C[C@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)Nc1ccc(C#N)c(Cl)c1 16765956 TUPVUNCWMFOFLB-LURJTMIESA-N 467.523 5.404 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 22143698 IPBFEHXLTFCEFS-UHFFFAOYSA-N 493.013 5.386 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nnc1-c1ccco1 23202221 HTSCNBMSQYPPPC-UHFFFAOYSA-N 464.595 5.250 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 25320959 PFOCZMNKAFJGCR-UHFFFAOYSA-N 453.878 5.036 30 20 JKED C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 26973419 UNKZNHCFMCMJGQ-AWEZNQCLSA-N 499.065 5.062 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c3cnn(C(C)C)c3n2)c(C)o1 29985656 WYRUHUDQMCXZEQ-UHFFFAOYSA-N 496.615 5.109 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(-c2csc(C)n2)cc1 33161008 QDJSOOSELXJDOE-UHFFFAOYSA-N 472.364 5.169 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(c2ccccc2)C(C)C)c1 59339952 PWBKVMQVUAPXAZ-UHFFFAOYSA-N 469.006 5.777 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCCc1nc(-c2ccncc2)cs1 72096541 NRAWIPAOEXACRQ-UHFFFAOYSA-N 456.596 5.591 30 20 JKED N#CCSCC(=O)N(CCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 195559321 OJKBKINLWYIKHX-UHFFFAOYSA-N 462.427 5.949 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cnn1-c1cccc(C(F)(F)F)c1 195662562 HRCZDWXNASSWRH-QGZVFWFLSA-N 453.449 5.208 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1 195682853 QSNPLDKLLVKKJU-UHFFFAOYSA-N 464.537 5.812 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)nc2C)c1 303004449 ZCLGSBYUGLEEDT-UHFFFAOYSA-N 469.994 5.294 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1oc2ccccc2c1CSc1cccs1 303270337 HECYJSALJPZHDZ-MRXNPFEDSA-N 464.637 7.291 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1Cl 487096518 XNVDYQDORACBSC-BWKNWUBXSA-N 489.978 5.554 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)CC2)c1 501739862 CFLLBEULECKSSA-UHFFFAOYSA-N 495.608 5.022 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3CN3CCc4ccccc43)CC2)c1 502669114 NAIMQHWYEWIIOA-UHFFFAOYSA-N 479.584 5.004 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c2C#N)C1 502842754 RDDHSBUIMJDQAO-MRXNPFEDSA-N 493.032 5.640 30 20 JKED CC(C)(C)C[C@@H](NC(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21)c1ccc(F)cc1 502859575 XKSAUBZCXLXVBQ-HXUWFJFHSA-N 484.369 5.068 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 509659329 UBEQAUOGGSBQQM-LJQANCHMSA-N 458.493 5.372 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3Cc3c(F)cccc3Cl)s2)cc1 510213905 UOUUZEKHKDPJKG-INIZCTEOSA-N 488.013 5.734 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 510981071 HRPYNDOAYALSCU-JOCHJYFZSA-N 468.395 5.632 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2cccc(Br)c2)C2CC2)cc1 510999345 NEUVQWWMHBSIAS-UHFFFAOYSA-N 468.395 5.460 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1F 511371173 ATIGUOIXPINEJA-VWLOTQADSA-N 469.520 5.115 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1ccc(C(F)(F)F)cn1 513198021 XYJRPSLEPPFSDQ-INIZCTEOSA-N 456.811 5.690 30 20 JKED COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc(OC)c1OC 514106894 CUQCXZJCNWENOH-GOSISDBHSA-N 477.536 5.196 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccccc1F 515162470 DDABZZPWOCEHGN-INIZCTEOSA-N 452.555 5.372 30 20 JKED Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cs1 515540387 OTGZJWRQJYPPEH-MRXNPFEDSA-N 454.527 5.979 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 515860406 CDKCNFMSTBVJOQ-FQEVSTJZSA-N 485.371 5.693 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ccccn2)no1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 516463967 DYXHDKKLIQKPNG-UHFFFAOYSA-N 493.592 6.074 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 517456078 BQWLWKFRLXNWGC-GOSISDBHSA-N 471.648 5.144 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c3c2CCCC3)cc1 517464889 KULKRYCCXNNPOL-JOCHJYFZSA-N 463.566 5.545 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 518240924 LVWXVOSHBHTTTJ-INIZCTEOSA-N 475.536 5.591 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 518480063 HITNSZYSZNHPQO-HLIPFELVSA-N 480.515 5.090 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cn5ccccc5n4)c3)n2)cc1 518516442 DARGEJQVLSLSJW-HSZRJFAPSA-N 475.533 5.399 30 20 JKED CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518674625 CJLPCKDLJWLUNO-UHFFFAOYSA-N 469.916 5.352 30 20 JKED C=CCn1c(SCc2ccc(C(=O)NC)cc2)nc2sc(-c3ccccc3)c(C)c2c1=O 518747516 IZZVNIYPMUEINJ-UHFFFAOYSA-N 461.612 5.271 30 20 JKED CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCSc2ccc(Br)cc21 518754552 RDZFRTJRDXXEQH-HNAYVOBHSA-N 490.492 6.934 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 518817551 HVSLTEKHJNYWAH-UHFFFAOYSA-N 455.583 5.775 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2C)cc1 520187518 QTTFCMUYXUFRCC-LJQANCHMSA-N 479.627 5.751 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](CC)c2nc(C)cs2)c1 520563128 LZKHYMGDMZDITR-HXUWFJFHSA-N 490.050 5.367 30 20 JKED C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1)n1cccn1 521167153 QNIQEFFMSCXWHR-IBGZPJMESA-N 481.581 5.499 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nnn1-c1cccc(Cl)c1 521733265 CGWNRZMYTNQXQA-UHFFFAOYSA-N 465.888 5.506 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nnn1-c1cccc2cnccc12 521762682 GXHJTFIAUFCHET-UHFFFAOYSA-N 480.915 5.694 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCc2ccc(OC(F)F)cc2)cc1 522324596 UWYKWJDHYOTDTQ-UHFFFAOYSA-N 453.464 5.253 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(Oc2ccccc2)cc1 523234497 LKZQEGZNYCZMEO-INIZCTEOSA-N 483.446 5.108 30 20 JKED C=CCN(C(=O)c1ccc(C(=O)N(CC)CC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 524287486 OETGCPREOHDXDT-UHFFFAOYSA-N 464.547 5.033 30 20 JKED COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 524442084 PDLTUHNXDLDFSP-QHCPKHFHSA-N 470.573 5.102 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(SC)cc1 570311145 GPCSYVFDJWBWPZ-QHCPKHFHSA-N 461.543 5.498 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OC(F)F 584671659 DSBXROYQFQYKIR-UHFFFAOYSA-N 467.472 6.015 30 20 JKED CCN(C(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1)[C@@H](C)c1ccc(C#N)cc1 589305369 SJQNKZWTWFZFCC-QFIPXVFZSA-N 454.570 5.882 30 20 JKED CCn1c(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)nnc1-c1ccccc1 590612703 IWHSQOXJZUIRAI-UHFFFAOYSA-N 474.590 5.017 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1 591598320 NWBOTLQKHULIFK-UHFFFAOYSA-N 499.615 5.247 30 20 JKED CC[C@H](C)Cc1c(C)sc2nc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)nc(O)c12 598795131 GATLNPJJWWMQDQ-RDJZCZTQSA-N 498.674 5.730 30 20 JKED N#Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)sc2c1CCCCC2 602776023 NORKFICSWDKOBT-UHFFFAOYSA-N 493.654 5.081 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 608916131 LHLAWEPIQKZYID-UHFFFAOYSA-N 494.517 6.580 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)cc1 609057203 FIFLBGRPSCIBJT-UHFFFAOYSA-N 463.493 5.628 30 20 JKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079609 HVCAMGAAGFXHOR-WNCULLNHSA-N 490.003 6.422 30 20 JKED C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609082587 QXOGYCFJRMEFOH-CQSZACIVSA-N 468.435 5.434 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc3ccccc3n1CC#N)CC2 609162040 TZTKQPZTQHRPIF-RUZDIDTESA-N 457.555 5.031 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3SCc3cn4ccccc4n3)c2)cc1 609177180 LCVIBBVKRIQXNB-UHFFFAOYSA-N 476.561 6.543 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 609186278 FZKNDTSVPIEKEB-HNNXBMFYSA-N 461.518 5.792 30 20 JKED N#Cc1ccc(NC(=O)C(=O)N(Cc2ccc(Oc3ccc(Br)cc3)cc2)C2CC2)cc1 609440850 IXZOZEXPTQODJM-UHFFFAOYSA-N 490.357 5.243 30 20 JKED CC(C)OCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2ccccc12 613319559 HEINDXXTAXJICX-GOSISDBHSA-N 450.947 6.625 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613319864 NPDAGOXBIGQONJ-SFHVURJKSA-N 483.977 6.437 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613403437 PPSCFJXMQVYRRI-FQEVSTJZSA-N 496.013 5.655 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613405025 TUWNSBBXWSSYGE-OAHLLOKOSA-N 491.292 5.753 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1-c1ccccc1OC 614508089 MUUVSQGJONDCLD-UHFFFAOYSA-N 491.642 5.882 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 619210270 WIUXJTKSOZECBS-UHFFFAOYSA-N 464.569 5.080 30 20 JKED COc1cccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1F 622518194 YDPWHOLUUXSTNA-INIZCTEOSA-N 451.338 5.086 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccccc1F 645077292 FGLMKARZRHAIMS-HSZRJFAPSA-N 474.561 5.751 30 20 JKED CC(C)(CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C#N)c(Cl)c1)c1ccccc1 726404581 ZSUDHQQSKBZLDQ-QFIPXVFZSA-N 495.048 5.180 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1cccc(C#C)c1 726411234 HLIMJCULYQGJFN-IBGZPJMESA-N 490.799 5.222 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1F 726413170 WHDZXHGDBMKWCB-IVZQSRNASA-N 496.539 5.090 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3cc(C)on3)C2=O)cc1 726421189 LXVZMSWBYSHLBL-KAVHPSCTSA-N 498.630 5.033 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/[C@H](C)c1cccs1 726421982 RAGJFOJOHPVSNJ-VWKLQFFRSA-N 478.437 5.047 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)COC3)cc1 726570743 JVTBWRIOXAKOSU-UHFFFAOYSA-O 477.009 5.805 30 20 JKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc(OC)nc2)cc1 726960558 QKJZPQBVOMVMAK-UHFFFAOYSA-O 493.653 5.599 30 20 JKED N#Cc1cccc(COc2cccc(/C=C3/SC(=S)N(c4ccc(Cl)nc4)C3=O)c2)c1 727177808 OHOSTWIYLZYLSV-RGVLZGJSSA-N 463.971 5.591 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 728423980 ZMHXCIGLYAUOOK-HOYKHHGWSA-N 499.596 5.073 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 728778147 BUUACMVSWBMQMI-LJQANCHMSA-N 475.401 5.648 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCCCC#N)C2=O)cc1 728779494 ISHJPILRWIVUHV-OAQYLSRUSA-N 452.555 5.097 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729144764 FIIYNSYMEOOIDU-UPVQGACJSA-N 483.609 5.222 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 729144776 YVAGYCOIXPWDFI-GOSISDBHSA-N 488.997 5.405 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730685727 HQSRJCOMPSUZHJ-CQSZACIVSA-N 482.390 5.031 30 20 JKED N#CCOc1cccc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)c1 731133815 DXZLRUGSXKDHFY-QFIPXVFZSA-N 486.330 5.074 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccc(Br)cc2)cc1 744766801 VFEFQOBTITVUJU-QFIPXVFZSA-N 450.336 5.305 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747112401 UEPMLNSMXDJJKQ-OAHLLOKOSA-N 460.342 5.016 30 20 JKED C=CCN(C(=O)COC(=O)c1ccc(Cl)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747903472 DATFUOXWDYLBOX-UHFFFAOYSA-N 482.776 5.541 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 749047890 KEJLVEVUGYJZRZ-MRXNPFEDSA-N 484.387 5.222 30 20 JKED Fc1ccc(-c2nc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)cs2)cc1 767300454 ACCYQVAVKQBGJF-UHFFFAOYSA-N 480.377 5.597 30 20 JKED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1SCc1ccccc1 769750652 GZQGPPMPVRKVOY-UHFFFAOYSA-N 493.654 5.217 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 775390513 NNIPXYSSUYNSSX-OAQYLSRUSA-N 497.551 5.516 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N 799203013 FNHORBAUZQPRFG-RQZCQDPDSA-N 451.356 5.310 30 20 JKED C[C@H](OC(=O)c1ccccc1OCc1cscn1)C(=O)Nc1sc2c(c1C#N)CCCCC2 811857764 CKJQFYFIDFSTJH-HNNXBMFYSA-N 481.599 5.108 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 837476199 OLQYXPKEZSSRFO-OFVILXPXSA-N 486.641 6.037 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1OC 838531050 JDGFQZJREZFMAW-DEOSSOPVSA-N 491.613 5.235 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1c(-c2ccccc2)n(C)c2ccccc12 839403604 RLQMRZFMLVFHSV-UHFFFAOYSA-N 471.542 5.064 30 20 JKED Cc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 912803574 IDTYUUOUPJARMP-UHFFFAOYSA-N 466.954 5.422 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)cs1 915086616 VPXAJWOGDOOPHI-RUZDIDTESA-N 455.608 6.652 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C)cc1 915102782 HHGNHPPFJHDHTF-QUCCMNQESA-N 472.397 5.869 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2cccs2)cc1 915741312 RPPFNHXGFRJBJK-IAPPQJPRSA-N 493.632 6.200 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)CCCC3 916287395 BEWWNWOJWJMOHH-GOSISDBHSA-N 475.414 5.091 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 916888829 ZUUCAXZSFJYEBG-SFHVURJKSA-N 499.587 5.894 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 916899289 JCMDQBQFWUVUOL-WCQYABFASA-N 455.725 5.079 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCOc1ccccc1Br 916905829 FNTGDZDPWUQKBZ-GOSISDBHSA-N 457.368 5.080 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3c(CC)cccc3CC)s2)cc1 916905990 GGPSRTJHECFGHG-OAQYLSRUSA-N 461.587 5.603 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(NC(=O)c2cccs2)c1 916906336 SKBRWIFAAXJRSS-NRFANRHFSA-N 481.533 5.754 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 916910167 FSUCEIIQDXIRKC-HNNXBMFYSA-N 455.898 5.063 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996396 LZIUKDZZWICPSX-NDRDAGNVSA-N 468.159 6.362 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(C(F)(F)F)ccc12 917427627 ZQOYEUAYCPBVIR-LLVKDONJSA-N 455.820 5.377 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4)n3)cc2c1C 917560718 XGFMASMHPADLRY-RMKNXTFCSA-N 495.557 5.568 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C#N)cc2)cc1 917681239 LCZSJIVSSQILBX-RUZDIDTESA-N 498.608 5.290 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1ccc(Cl)s1 917703353 LMIWPUWVDNXTKP-FQEVSTJZSA-N 495.029 5.476 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 919652305 CKFVBNIBPBHRLH-JENIJYKNSA-N 455.402 5.937 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(COc4ccc(F)cc4)n3)n2)cc1 920140722 JIDKJRHYFLNQKH-SFHVURJKSA-N 460.515 5.346 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2c(C)noc2C)cc1 920355059 HOYJAFQJESTIOH-QHCPKHFHSA-N 492.601 5.023 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(C)c3ccccc23)C1 1783350531 HKXHBXYNOYXGHS-IWGZPIKUSA-N 488.672 5.363 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4c(Cl)ccc(OC)c4F)CCC3)cc2)C1 1785810547 QBMGMEKOVLAYKF-UHFFFAOYSA-N 456.945 5.131 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)cc1 1785935207 OSRDDODROFJHDZ-UHFFFAOYSA-N 479.378 5.228 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)coc3C)CCC2)cc1 1786366046 JNOVLHOUQSOHTK-UHFFFAOYSA-N 464.484 5.337 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc4cccnc4cc3F)CCC2)cc1 1786366551 FPZGKLHXUMBCSU-UHFFFAOYSA-N 475.564 5.033 30 20 JKED C[C@@H]1CN(Cc2ccccc2)C[C@@]12CCC[C@H]2C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1786585640 QCEWGBAHVSEHII-MGTSJQRLSA-N 498.671 5.363 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CCC2)cc1 1787889086 IJYOOYPWMYZEAL-NRFANRHFSA-N 474.992 5.679 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)c1 1789327667 AYXPIPMDJMWFIC-UHFFFAOYSA-N 464.500 5.307 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)c1 1790074135 YCEBQMXHYOEGTG-UHFFFAOYSA-N 494.473 5.042 30 20 JKED Cn1c(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)cc2ccccc21 1790520462 WZBGPLYQVHUXAK-UHFFFAOYSA-N 480.543 5.179 30 20 JKED COc1ccc2[nH]cc(/C=C/C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)c2c1 1790563293 JUDNHVQYPBLULD-CNKPNACGSA-N 496.567 5.036 30 20 JKED COc1ccc(C2(C(=O)NC3(c4ccc(NC(=O)[C@H](C)ON=C(C)C)cc4)CCC3)CCC2)cc1 1790566044 NRURMMMURRFUDQ-FQEVSTJZSA-N 477.605 5.052 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)ccc4OC)cc3)CCC2)C1 1790591284 LUNZBZMKQGPFPA-UHFFFAOYSA-N 469.379 5.172 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc(C(F)(F)F)c4)cc3)CCC2)CCC1 1790648462 QWWGDIXCSCPKJV-UHFFFAOYSA-N 459.443 5.286 30 20 JKED C[C@@H](Cc1ccncc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791039465 IOSKFLJUOZEWQU-LEWJYISDSA-N 466.585 5.335 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C3CC(C)(C)C3)CCC2)cc1)NC(=O)OC(C)(C)C 1792206088 IRJLYCDTSBRBAR-JOCHJYFZSA-N 483.653 5.416 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3F)CCC2)cc1 1792337528 XHFWKQKMPXJTDS-KWMCUTETSA-N 493.579 5.043 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(NC(=O)c3ccccc3)cc1)C2 1792573122 IDBOHAGTJNZTDK-QEIWAGNOSA-N 473.617 5.183 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](F)c2cccc(F)c2)c1 1800278800 ZYNJXLFTPMVMKN-VHJOFQCFSA-N 472.601 5.091 30 20 JKED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2cccc3ccccc23)c1 1800812561 SOWXXBQJEGEIOH-NUNAXRQHSA-N 490.563 5.397 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccnc3s2)[C@@H]1c1cccnc1 1802503552 QBFXHKLVIONRCF-IFMALSPDSA-N 462.619 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCc3cncc(C(F)(F)F)c3)CC2)C1 1804866051 LWLVSEGRKQJMQF-UHFFFAOYSA-N 479.587 5.257 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1809107720 MWFPKXVBKPUSBE-OFNKIYASSA-N 476.646 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CC[C@H]3CNc4ccccc4C3)C2)CC1 1809842293 ZMALRPBWMLKJKC-HSZRJFAPSA-N 465.682 5.275 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1810177215 CJLHFHFMYHICPM-TUACAJSNSA-N 451.998 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810184047 ZYTDYYACJXDFMX-PWWKTKHKSA-N 485.550 5.117 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(C)c1 1810273307 ULIAAGUYJVRNET-IGKIAQTJSA-N 475.709 5.069 30 20 JKED C#CCCC(=O)N1CCC2(CCCN(C(=O)c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C2)CC1 1810362913 CNNIGCSIMYYSPT-UHFFFAOYSA-N 492.623 5.069 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1cccnc1)c1ccccc1 1810444690 SHCRSXGTODZPRV-IUAQSZDVSA-N 490.607 5.080 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1)c1ccccc1 1810446503 OEZZBZABNGQLMY-HWBMXIPRSA-N 492.044 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1810491383 CPAVEQSEGIDGLA-KKUQBAQOSA-N 461.650 5.520 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810588150 FVHATMNCRASYOZ-ZEQKJWHPSA-N 496.051 5.610 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3cnco3)c2)[C@@H]1c1cccnc1 1811371533 GWTUTUOPRHIPNG-ZCYQVOJMSA-N 472.589 5.049 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3C3CC3)[C@H]2c2cccnc2)c1Cl 1811426178 RUVRPVIOOHYSPW-RLWLMLJZSA-N 484.987 5.117 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811786549 FYSMZDIYGABAKG-WDUKFBBWSA-N 464.368 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[C@H]1c1cccnc1 1812428574 OSRZSUYCRCVDHC-QLBJFCOMSA-N 497.083 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812514484 UMIZGPXDKBUUIN-HDYLNDSGSA-N 492.063 5.631 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1813225586 UNPFYORPHQSDEN-DURWQBQJSA-N 480.052 5.374 30 20 JKED COc1ccc([C@@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1814734116 NGVZDLAPZLCJSF-ZHRRBRCNSA-N 491.979 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814844282 BVHPDWMQBSHNEA-IBGZPJMESA-N 487.988 5.199 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1)c1ccccc1 1814931911 SQGFFFFKOCJELT-ZCYQVOJMSA-N 455.562 5.027 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)C#N)[nH]n1)c1ccc(Cl)cc1 1814939740 TWNLZUFJAVMXAO-FPOVZHCZSA-N 455.990 5.045 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2ccc(C(F)(F)F)cc2)n[nH]1 1815150026 BSPBLUCPLUUPDU-FQEVSTJZSA-N 494.583 5.363 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818117266 GDIRMXPYXYTXCE-JXGFJBPRSA-N 456.612 5.119 30 20 JKED Cc1ccc(SCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc([C@@H](C)C#N)c2)CC3)cc1 1818616567 FEERZSOQCRFPMI-PXNSSMCTSA-N 490.654 5.097 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3c2)n[nH]1 1819129806 OWOJJNRVUDIUKC-FQEVSTJZSA-N 494.393 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[nH]n1 1819553908 ZAISSKKFIJOFFT-LFSKCEFNSA-N 489.664 5.772 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)[nH]n1 1819557090 XFLPZZDRKLAPHL-SFHVURJKSA-N 458.990 5.370 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1sc(-c3ccccn3)nc1C)CC2 1820097913 KCUIFKHYMZHCCW-INIZCTEOSA-N 495.674 5.188 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Br)cccc2-c2ccccc2)n[nH]1 1820206505 WKRKYLWXSQABOF-HXUWFJFHSA-N 492.377 5.059 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1F 1820497228 CGENDSOMTVSPPK-UZUQRXQVSA-N 459.525 5.104 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)[nH]n2)cc1 1820548585 IMKCGSBCNUYWAK-AREMUKBSSA-N 491.551 5.693 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)[nH]n2)cc1 1821180485 VXSKUQDPNWXOAI-HSZRJFAPSA-N 487.991 5.167 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821242599 JWBSQUDICHPCKT-RXVVDRJESA-N 496.409 5.118 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(C#N)ccc4F)n[nH]3)c[nH]2)cc1 1821271245 MHMXZPIFWNRKCE-RUZDIDTESA-N 496.546 5.344 30 20 JKED Cc1cc(F)c(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1821334186 MUPPLSRUIKWRLX-OPAMFIHVSA-N 477.515 5.243 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1)c1ccc(O)cc1 1821459131 JVHMFOKYOMJACI-PXDATVDWSA-N 496.567 5.365 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)[nH]n1 1821923542 YYZWENSJJLZUDW-CLOONOSVSA-N 494.599 5.538 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1822585272 PCNOVMPXLHJORP-LJQANCHMSA-N 464.463 5.067 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1823755247 PQHDYMAOJOEAGG-HSZRJFAPSA-N 470.654 5.238 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc(Cl)c2)CC1 1823980065 MUHULKNZBGINJQ-HSZRJFAPSA-N 461.046 5.331 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1824499912 RTVHFUMKTFBJCM-RUZDIDTESA-N 482.665 5.006 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1 1824540601 LNOFSRHSHLPDRA-IYKNOGQWSA-N 460.709 5.175 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 1826420932 BRTWWSZAWXEEFK-NDEVUPSOSA-N 468.682 5.009 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 1826509852 CFDZQTAOLQYNBX-DEOSSOPVSA-N 483.534 5.053 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1)C(F)(F)F 1827332431 YCRNUIRRDGVLRD-HSZRJFAPSA-N 485.550 5.409 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C\c2c[nH]c4ccccc24)CC3)c1 1827694670 ZLIBBVNBKXTXEE-DZWQLVLCSA-N 495.608 5.191 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C)cc2C(F)(F)F)CC1 1828828301 HJWZLYNKWYBHRP-DENIHFKCSA-N 465.560 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2OC)CC1 1828831454 UWPNJQWUVWCHMH-RPWUZVMVSA-N 473.057 5.279 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1C 1828903206 CKAFZBFUUIWUEU-SANMLTNESA-N 496.768 5.217 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829232809 LBCRFVJSUVYVAX-FQEVSTJZSA-N 466.453 5.614 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1829491487 QFNOBZPSXDKTGK-NDEPHWFRSA-N 478.596 5.167 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1829959665 YMRIVZAVPCKBRT-VWLOTQADSA-N 494.035 5.546 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1830015849 RMIKWYRBVUVBDS-QHCPKHFHSA-N 475.589 5.459 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)c1 1830717703 ZCFGPHHFTCEXOB-SQJMNOBHSA-N 494.010 5.314 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2onc3ccccc23)CC1 1830924608 RHFCCFSHAQHVHN-DEOSSOPVSA-N 479.697 5.112 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831018688 YFMDPRZBUZFDFU-PKTZIBPZSA-N 474.070 5.076 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1831506791 FIJNOTBJOFEQLG-VQMHNJBBSA-N 478.658 5.301 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccsc3)CC2)c1 1832629735 BUHPCQLACFIEBR-NBGIEHNGSA-N 463.647 5.241 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c1 1832634459 RURWWXHHYNFDNC-RQWPMFQCSA-N 461.650 5.373 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1832692719 BNVWHWJWXZYOQW-DNQXCXABSA-N 468.638 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(C)(C)C)oc3C)CC2)CC1 1834201506 GOACIYPDRQMXLV-UHFFFAOYSA-N 471.686 5.063 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C)noc3-c3ccccc3)CC2)CC1 1838110261 WABMWIZUWLQLOD-RUZDIDTESA-N 491.632 5.031 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1847226240 AUWWBSCLUHMZCO-DQEYMECFSA-N 452.554 5.414 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1 1847531424 JHOZDGLVTRUILM-KKUQBAQOSA-N 464.556 5.468 30 20 JKED CC(C)Cn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccccc1F 8651203 BHHZDSZVPAXZEI-SFHVURJKSA-N 451.571 5.168 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1F 11082748 UDJDNWVAMNZAHT-UHFFFAOYSA-O 490.023 6.717 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccc(CC)cc2)c1C 11265724 NIVYVOAHNPTMSH-UHFFFAOYSA-O 492.665 5.832 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3cc4ccccc4oc3=O)c2C#N)C1 11341345 KMKUDPAFDPWPIQ-MRXNPFEDSA-N 478.570 5.063 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Cl)nc2scc(-c3cccs3)c2c1=O 11382714 MNRMSTBIDHCCMQ-UHFFFAOYSA-N 474.032 5.757 30 20 JKED N#Cc1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)c(F)c1 12344196 FQBHNVGEXOEPJR-UHFFFAOYSA-N 473.524 5.158 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2scc(-c3cccs3)c2c1=O 15151887 SYMHCOVROGTWNG-CQSZACIVSA-N 483.640 5.500 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 15248110 YRPYGSGLZCYSQM-UHFFFAOYSA-O 473.449 5.960 30 20 JKED Cc1cc(C)c(NC(S)=C(C(=O)c2ccc(Cl)s2)[n+]2ccc(N(C)C)cc2)c(Cl)c1 15248354 NHJKIKXGLSGDKY-UHFFFAOYSA-O 479.478 6.076 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cccc(OC)c2)ccc1Cl 16030050 DPTIUQHRBJOHTC-UHFFFAOYSA-N 491.396 5.636 30 20 JKED Cc1nn(-c2ccccc2)c(COC(=O)c2ccccc2SCc2c(C)noc2C)c1C#N 18491922 JFAOJDHLETWWAK-UHFFFAOYSA-N 458.543 5.307 30 20 JKED CCCCCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2cc(Cl)ccc2c1=O 20085037 WLLGYEOPTGKLAC-UHFFFAOYSA-N 454.983 5.037 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccoc1C 21140645 CTSUSQUKJVQCLY-IBGZPJMESA-N 458.587 5.419 30 20 JKED Cc1ccc(-n2c(SCc3nc4ccccc4c(=O)n3CC#N)nnc2-c2cccc(C)c2)cc1 22679451 YPQBLVKQJRIDCW-UHFFFAOYSA-N 478.581 5.077 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2cccc(Cl)c2)cc1 22730595 YAXJAIHBUVHABZ-UHFFFAOYSA-O 454.015 6.030 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(Cc2ccccc2)cc1 22795204 KBUBBOAYERCGQJ-UHFFFAOYSA-O 470.445 5.976 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23453552 VTGDMSHSPNUYNZ-RUZDIDTESA-N 458.583 5.129 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 23518578 AGXKRRYGCZPRNZ-HZPDHXFCSA-N 474.989 5.194 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 23603700 PVDNYTZNFNKKFW-UHFFFAOYSA-O 468.646 6.178 30 20 JKED COc1cc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3ccccc3n2)cc(OC)c1OC 23922795 SRLOAOBKDVMWDC-UHFFFAOYSA-N 453.498 5.246 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 24874108 STZWCYBLFRPLHU-BXKMTCNYSA-N 484.025 5.035 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 24894214 QXUOHAHDGQUCOY-UHFFFAOYSA-N 492.988 5.364 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(NC3CCCCC3)cc2)CC1 60331663 NFNGSGLAOVYGOU-UHFFFAOYSA-N 459.550 5.406 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 72053578 QWXQJAKDCLJBST-UHFFFAOYSA-N 455.949 5.073 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 72086260 BRVFIKSDJOWXEJ-UHFFFAOYSA-N 478.512 5.069 30 20 JKED C=CCN(C(=O)c1oc2c(c1C)C(=O)CCC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 107772600 GKBXPZMHSJLMOH-UHFFFAOYSA-N 461.370 6.370 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1 116525089 NNVLSNZAMNETMI-UHFFFAOYSA-N 450.523 5.609 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCc3csc(Nc4ccccc4C)n3)nnc12 255927777 MYRNXJMBWLKXDS-UHFFFAOYSA-N 460.588 5.031 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nc2sc3c(c2c1=O)CCCC3 476707259 OXMSSQZANSXPBD-LLVKDONJSA-N 464.534 5.304 30 20 JKED CCN(CC)C(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 476764984 NBDAUWADORAKMO-UHFFFAOYSA-N 454.958 5.116 30 20 JKED CCOc1c(OC)cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 481712671 NBXVZWCDVQHUDH-UHFFFAOYSA-N 479.508 5.014 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(C(=O)N4CC(=O)Nc5ccccc54)cc3)c2)cc1 482787062 JOVJHUWQGJBIGL-UHFFFAOYSA-N 488.503 5.202 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 486538219 UTQUHJOBMGXUGU-UHFFFAOYSA-N 451.526 5.236 30 20 JKED N#Cc1ccsc1C(=O)Nc1ccccc1COCc1ccccc1NC(=O)c1sccc1C#N 497991225 NUYZRMOYUULQFJ-UHFFFAOYSA-N 498.589 5.774 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 500071873 ZLKDJSWIOQPTFO-SFHVURJKSA-N 498.633 5.904 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nc2cc(Cl)ccc2c1=O 501202529 JBHLHURFACOQDU-LBPRGKRZSA-N 459.358 5.793 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc21 503530491 HETSHDAISMINHY-GOSISDBHSA-N 465.525 5.796 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)c2c[nH]c3ccccc23)c1OC 503676672 LZFVCYCZAMXLIJ-OAQYLSRUSA-N 474.948 5.664 30 20 JKED COc1cccc(/C=C\c2cc(C(=O)NCCCCC#N)c3cc(Br)ccc3n2)c1 505074434 KDODKRBISDDTFT-NTMALXAHSA-N 464.363 5.600 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 510856859 JHXVBWZQHULJJA-LJQANCHMSA-N 452.518 5.465 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CCOCC2)cc1 510874156 IPZFTHNANWACOR-UHFFFAOYSA-N 485.584 5.928 30 20 JKED CN(C)Cc1nc(N2CCC(Oc3cccc(C#N)c3)CC2)c2c(-c3ccccc3)csc2n1 511380294 RCLCYNHZSDMRCM-UHFFFAOYSA-N 469.614 5.339 30 20 JKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511583922 XRRNRKIZFONJIQ-SFHVURJKSA-N 461.949 5.143 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 514723312 BXHUSRSLCMTAHX-AREMUKBSSA-N 489.689 5.581 30 20 JKED N#CCc1ccc(NC(=O)CNc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1 515585433 YLDFVOJWZWIPQC-UHFFFAOYSA-N 452.436 5.074 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)n2)cc1 516072644 ZIBRCJUDCYLYCF-UHFFFAOYSA-N 454.540 5.243 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C(C)C)nc4c3c(C)nn4C(C)(C)C)n2)cc1 516269961 GTSFFLVDRBOBSC-HXUWFJFHSA-N 487.629 6.240 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 516477653 LJMFDJSDQBVCLU-IRLDBZIGSA-N 466.006 5.899 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 518140929 AHYDZLNGZBCHGQ-UHFFFAOYSA-N 483.355 5.430 30 20 JKED Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 518502361 WWFFTWSZOXVMRD-KRWDZBQOSA-N 463.906 5.262 30 20 JKED COc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c3ccccc3n2)cc(OC)c1OC 519251690 PYTUIJJUHAWUHI-LJQANCHMSA-N 495.560 6.027 30 20 JKED C=CCN(C(=O)Nc1ccc(S[C@@H](C)CC)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 520194833 HFGDIKYJERWQLD-RBUKOAKNSA-N 450.612 5.642 30 20 JKED C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nc2sc3c(c2c1=O)CCC3 520472770 GRFRFLSEXQHVCI-UHFFFAOYSA-N 451.573 5.089 30 20 JKED N#C[C@H](C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1 521264657 JPLJXJLUCUDDQO-GOSISDBHSA-N 471.492 5.371 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 521700889 JHXCJWVWZOXJMQ-UHFFFAOYSA-N 457.496 5.023 30 20 JKED COc1cc([C@@H](C)NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)ccc1OC1CCCC1 522805533 FEWGTPPHOZUYGH-HXUWFJFHSA-N 499.615 5.029 30 20 JKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 523252624 SYSRAKDCJKBVIW-LJQANCHMSA-N 465.509 5.474 30 20 JKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 523696914 PUBTVALGMKTSRY-UHFFFAOYSA-N 458.518 5.419 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)c1 524077310 SCHPHNAKCKXWIY-DEOSSOPVSA-N 467.997 5.269 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCN3CCC[C@H]3c3nc4ccccc4s3)c2C#N)C1 561199679 QNYYYNPAYMZVHV-KXBFYZLASA-N 450.633 5.520 30 20 JKED Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCN(c6oc(C7CC7)nc6C#N)CC5)(C4)C2)C3)cc1C 603591083 FQJUNYVREFHFIL-WWJCJQDFSA-N 484.644 5.227 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 603637909 IUAOLOSOZMAUEQ-BWTSREIZSA-N 470.413 5.777 30 20 JKED CCOc1c(Br)cc(Cl)cc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 603655634 YXCOHTQPMRXGLA-UHFFFAOYSA-N 491.817 5.113 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CN3CCCCCC3)CC2)cc1Cl 603829070 UDPFALAXQMKBMH-RUZDIDTESA-N 465.041 6.115 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cn2)c1 603831188 URRPCYXDRCBXBO-UHFFFAOYSA-N 495.505 5.550 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(OCc2cccnc2)cc1 603831617 ZJVVPFAXPZBAEO-HXUWFJFHSA-N 491.551 5.667 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 603831634 MHGGKTXTJASEQE-QHCPKHFHSA-N 464.569 6.224 30 20 JKED C[C@@H]1CCCCN1Cc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 603909126 LMLNVFSJULDMLZ-LJQANCHMSA-N 473.577 5.036 30 20 JKED CCCOc1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 604138181 SWDXSKDVTKKNPY-JOCHJYFZSA-N 491.975 5.048 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnc(Cc4ccc(F)cc4)s3)s2)cc1 608895697 GPQFKODXTDQJIZ-UHFFFAOYSA-N 467.576 5.141 30 20 JKED Cc1cccc(COc2ccc([C@H](C)NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)c1 609053819 RCCANWSYYPTFKT-FQEVSTJZSA-N 455.558 5.191 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4ccc(Br)cc4)CCOCC3)cc2)c1 609064794 PLWXNXVHEXPFHT-UHFFFAOYSA-N 491.385 5.587 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CCOCC2)cc1 609079125 KDKFQCLYPLYAOZ-UHFFFAOYSA-N 485.584 5.324 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 609177684 JJUBRRRGTURCKP-UHFFFAOYSA-N 456.424 5.053 30 20 JKED COc1ccc(CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC(F)F 609209622 FCDJOKSOOYUNEC-UHFFFAOYSA-N 453.445 5.325 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)N2CCCCC2)cc1 609398805 SXVVMUMLRQLQBU-AUSIDOKSSA-N 452.624 5.296 30 20 JKED N#Cc1cccc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)c1 609405221 RBIIFRPYDPFZDW-NRFANRHFSA-N 456.304 5.043 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 609427667 YFXVRINBNVREAH-KRWDZBQOSA-N 455.539 5.129 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 609439766 NQHJWKWKPDVEPP-BCHFMIIMSA-N 485.609 5.250 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1F 613387647 JIYLHBBDSAEKAV-IBGZPJMESA-N 472.589 5.980 30 20 JKED C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 615325743 ILEIBZJLVLVLJJ-LBPRGKRZSA-N 452.370 5.562 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1OC 620760710 NVUYBFIFCGQCSN-CTNGQTDRSA-N 450.348 5.172 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 726397844 JFFBXIVEXYWGLG-XXBNENTESA-N 467.635 5.306 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(C)C)C2=O)c1 726407901 VWRGOYVDZOQYOP-OAQYLSRUSA-N 469.010 5.445 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCCC2)cc1F 726413048 VQMINJMODUJFFN-QFIPXVFZSA-N 469.582 5.354 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@@H](C)OC)c1 726413550 UCQDYUPNDSODKD-ZHRRBRCNSA-N 484.021 5.015 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C)n1[C@H](C)c1ccccc1 728705220 RSIPTBBJODARTR-QGZVFWFLSA-N 488.385 5.546 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CCCCC#N 728777049 IKSKNYWLAZHUKE-FQEVSTJZSA-N 488.535 5.668 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CCCCC#N)C1=O 728777978 NLPVQLVCTMMKBE-AXNWQBDTSA-N 489.066 5.794 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)c1 728778135 QKJLJZLHRMLPFC-HXUWFJFHSA-N 470.982 5.003 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729554091 ZOEMLTDSZDEKJH-MHECFPHRSA-N 470.573 6.796 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cc(F)ccc1F 729631925 NFSPMJNGUSHARD-JOCHJYFZSA-N 494.498 5.136 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2cocn2)c1 730723239 FPTPIVGJEKFNOF-IBGZPJMESA-N 499.379 5.123 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 731024640 BXVLRVZIIJFISB-HNNXBMFYSA-N 490.585 5.318 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c1 731306434 BHNJKRATWZGDCT-JPYJTQIMSA-N 477.586 5.194 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c1 731309078 SKQNTPQCVJRVQZ-WZONZLPQSA-N 474.586 5.126 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)c1 731331338 CAEYFCFYPNAPLO-UHFFFAOYSA-N 481.961 5.041 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 743523652 AZCQACYQOPCJBB-JOCHJYFZSA-N 499.608 5.055 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2cc(C)ccc2F)cc1 744117100 VRPJSPBHGSMIQT-UHFFFAOYSA-O 478.613 5.850 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)Cc1c(C)noc1C 745868147 YGKROKYFQOOKMB-NRFANRHFSA-N 450.520 5.055 30 20 JKED COc1cc(C(=O)/C=C\c2cc(C)c(OCc3ccccn3)c(C)c2)ccc1S(=O)(=O)C(F)F 747066107 JNEAXJPRXDSQMH-CLFYSBASSA-N 487.524 5.178 30 20 JKED CN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2)C(C)(C)C#N 748123826 WERHCWIJXVPKBV-VKAVYKQESA-N 459.571 5.091 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(SC(F)F)cc1 799210595 VAZUDDYDGHFEMY-GOSISDBHSA-N 477.558 5.184 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 825345372 HFEKNRUGOTWVIA-UHFFFAOYSA-N 479.867 5.078 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H](C)c3cccnc3)C2=O)cc1 837301169 HFUANBGKTBVTKQ-KOSHJBKYSA-N 486.597 5.314 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 837326708 OCDGXAXMHNXIQM-VGSWGCGISA-N 479.005 5.765 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2cccc(C)c2)cn1 837398025 FQAMQWLPVTZUEJ-QHCPKHFHSA-N 488.613 5.176 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2cccs2)C1=O 837832273 NYVUOLPELAWRCO-NRFANRHFSA-N 465.600 5.226 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837836913 MQZBHYGEHMZBFJ-XXBNENTESA-N 458.587 5.420 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1F 838235635 KREGIDJONWJRAJ-AOMKIAJQSA-N 480.540 5.390 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840197430 VQLLWHWTNINFCH-XMMPIXPASA-N 456.571 5.416 30 20 JKED CCc1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)cc1 913099546 PKLULHOTPPUROI-MRXNPFEDSA-N 456.782 5.457 30 20 JKED C=CCn1c(SCC(=O)O[C@H](c2ccccc2)c2ccccn2)nnc1-c1ccc(Cl)cc1 914449856 SJOLVDSFRSGFGA-HSZRJFAPSA-N 476.989 5.604 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@H](C)C2CC2)ccc1Cl 914687964 JQANLTXCPVKSHO-MRXNPFEDSA-N 493.456 5.778 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3c(Cl)n2)n(-c2ccc(F)cc2)c1C 915445505 NFRIQUBKSXHUIN-UHFFFAOYSA-N 476.895 5.102 30 20 JKED COc1cc(/C=C2\S/C(=N/C3CCCC3)NC2=O)ccc1OCc1ccc(Br)cc1 915985181 QXORXCNCRKVUJU-BKUYFWCQSA-N 487.419 5.539 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccncc2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 916136344 LUVXPFSKSMRTBQ-SKLWHNQTSA-N 462.590 5.182 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccc3)C2=O)cc1 916209521 MBCQEJZQNBBGOD-QHCPKHFHSA-N 475.545 5.189 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(C2CC2)C1=O 916210782 IUYHNISGRYUYNR-FQEVSTJZSA-N 457.983 5.088 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=Nn1c(S)nnc1-c1ccccc1 916307969 VXMULGKVGUHFKM-UHFFFAOYSA-N 462.888 5.282 30 20 JKED N#CCOc1cccc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 916410772 DEUGZFQFHLJPSS-JXAWBTAJSA-N 470.510 5.676 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 916914168 WEGBZUIHRDZSOH-XMMPIXPASA-N 464.525 5.071 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 916932193 RYSKFOZMESPJNO-OAHLLOKOSA-N 482.352 5.264 30 20 JKED CSc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916975796 FQFUSJQKPVLNOX-HNAYVOBHSA-N 468.003 5.415 30 20 JKED N#C[C@H](C(=O)CCc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995199 CGJDIDALUWWNGV-MRXNPFEDSA-N 459.354 5.697 30 20 JKED CC(C)Oc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1 917675204 GZYMEPCTOMMHPP-QFIPXVFZSA-N 474.586 5.029 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1 917701385 SHVYKYQQAZSMJY-DHIUTWEWSA-N 477.561 5.118 30 20 JKED CC(C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1C#N 917707372 ZEZVNOFKTOTPOP-HXUWFJFHSA-N 499.434 5.327 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(CC(F)(F)F)C2=O)c1 917715238 WIVLBEDBSZPEPG-IBGZPJMESA-N 479.524 5.341 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn23)cc1Cl 917722049 CEPPVQKGDZQCKA-QGZVFWFLSA-N 457.342 5.097 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(-n2ccc(C(F)(F)F)n2)cc1 917880307 XTPBQBCESPVORO-HXUWFJFHSA-N 476.911 5.064 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc(CC)cc2C#N)c1 917881272 WXGGLQRZOSMERD-UHFFFAOYSA-N 486.018 5.469 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 918551936 IXASEXFFRUXIMF-UHFFFAOYSA-N 482.959 5.542 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)s2)cc1OC 920104449 SURVBFNBWXLEHE-KRWDZBQOSA-N 459.527 5.131 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 920173505 PNYHWVXBKCXQQB-KSFYIVLOSA-N 497.617 5.926 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2c(C)noc2C)c1 920353434 JPEVTENUBKTKFB-JOCHJYFZSA-N 497.020 5.722 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920353718 QMEFIQCYYGLCAR-NRFANRHFSA-N 482.993 5.414 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3c(C)noc3C)C2=O)cc1 920353862 UYLLPLUTFRHBND-QHCPKHFHSA-N 492.601 5.159 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 920354912 IJDLCSWQHHCGLP-FQEVSTJZSA-N 486.956 5.244 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2ccc(F)cc2)cs1 920363167 SUBIDSHLURCHOG-UHFFFAOYSA-N 481.500 5.306 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2nnc(-c3ccccc3)n2C)cs1 920374233 UKOWFCOLXXJPPG-UHFFFAOYSA-N 485.495 5.088 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807004 VLXRBHOSOZKTPG-LAUBAEHRSA-N 492.551 5.129 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc2ccccc12 920867985 ZJNLWSQERJEHHC-UUOWRZLLSA-N 491.613 5.091 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c1 921251677 AMBDPBMOZOCNIR-FXAWDEMLSA-N 493.551 5.231 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4ccccc4c3Br)CCO2)C1 1779243582 YUAIWMOLENMFDP-SANMLTNESA-N 499.449 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)C2)C1 1779955799 JTDABAXQVKKJOB-PMERELPUSA-N 485.628 5.042 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3c2oc2ccccc23)C1 1781443129 KGSPKUQEHBLRPJ-PDDLMNHVSA-N 486.612 5.482 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)C1 1785810426 SEMNZYAPYVDMPV-UHFFFAOYSA-N 464.363 5.035 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H](CCC)NC(=O)OCc3ccccc3)cc2)CCC1 1786007771 PNBLBAAMIZUTOW-VWLOTQADSA-N 489.616 5.019 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3coc(C(C)C)n3)CCC2)cc1 1786545140 SFNXWNFREMAIQD-HXUWFJFHSA-N 496.608 5.015 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)cc2)CCC1 1786589404 FOTUUXYSWOVTFX-ZJSXRUAMSA-N 495.664 5.207 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(NC(=O)OCc4ccccc4)cc3)CCC2)cc1 1787651277 FKBIWEMDYVNTKG-UHFFFAOYSA-N 496.567 5.026 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)CCC3)cc2)CC1 1787878515 ZLXBCORZIZTPBK-UHFFFAOYSA-N 459.933 5.651 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)CCC2)cc1 1789458272 SOGJZYZCVNJPKT-NRFANRHFSA-N 493.560 5.128 30 20 JKED CO[C@@](C)(C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)S)CCC2)cc1)c1cccc2ccccc12 1790376202 BJWCMVPIZJNZBW-WXTAPIANSA-N 462.615 5.154 30 20 JKED COc1ccc(C(=O)CCC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)cc1 1790765146 PHCGEUJPNFQIIE-UHFFFAOYSA-N 499.542 5.117 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)NC(=O)CC5)CCC3)cc2)c(Cl)c1 1790767824 OXLODSLTZMTMCB-UHFFFAOYSA-N 498.970 5.158 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5c(F)c(F)ccc5c4)cc3)CCC2)cc1 1790965398 CJLAKNXTDMSJKU-UHFFFAOYSA-N 482.490 5.446 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CC3)cc2)CCC1 1791182106 HJIZJSXLYWMOEL-UHFFFAOYSA-N 480.992 5.015 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCn4cccc4)cc3)CCC2)c(Cl)c1 1791902211 RWGMFEAQNGUGTF-UHFFFAOYSA-N 460.965 5.241 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3Cl)CCC2)cc1 1792240353 UFHCILFFLQWDAT-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1(c2ccc(NC(=O)CC3CCC3)cc2)CCC1 1792272314 PFFNSEPVEBBDLO-RUZDIDTESA-N 489.616 5.182 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793210840 UJVYECNDPHQCKN-IAVMFFSMSA-N 473.057 5.235 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1803086744 LVUWAQVKNMBVCH-ABYGYWHVSA-N 495.623 5.962 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1803091686 QARIQSKMKXIRKC-WNCULLNHSA-N 491.607 5.098 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCC#N)C4)c(C)c2)cc1 1803921745 QQTLEGXVXDVYDL-OOSCYNTBSA-N 457.618 5.560 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 1804052514 NTVAZSVKSNCLSV-KAOXLYBCSA-N 489.701 5.091 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1810183115 RXANYHFBEHVPBE-HNVPCBRESA-N 479.596 5.096 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)C2)CC1 1810246171 OLUYGXPYLJLOPL-UHFFFAOYSA-N 490.982 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810499189 VBSYEBJPJUBQNY-ZCYQVOJMSA-N 479.690 5.489 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1810501821 DALAKTLYCSRELA-MFYODDQASA-N 453.671 5.542 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810923220 HIQRFXRGGXICNI-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1811230853 WWOLNIOMLYBXHL-NOZRDPDXSA-N 477.649 5.571 30 20 JKED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1811695759 UHJHHAFPAZZSNK-OWHZGTRUSA-N 491.682 5.012 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1813226310 MVGQJCXWQOEAPR-ABYGYWHVSA-N 481.596 5.387 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813975030 XLHRIGXQDYZJEL-HXOBKFHXSA-N 476.379 5.041 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)[nH]n2)C1 1814398925 ZYQLBAJPAIKFPY-LJQANCHMSA-N 480.918 5.283 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)[nH]n1 1819303079 BVUIYKFVBZVQDQ-MAUKXSAKSA-N 493.942 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)[nH]n1 1819309037 KSPDNLDSTQPBHT-JLTOFOAXSA-N 462.928 5.416 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(F)c3)n[nH]2)cc(C(F)(F)F)c1 1820490592 BMFXSHCSAQCUKA-FQEVSTJZSA-N 485.441 5.059 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c[nH]1 1821279041 YSLWSKFUOOHGMG-FQEVSTJZSA-N 478.984 5.180 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310362 QUOUKZMKNJIKJL-IBGZPJMESA-N 487.507 5.290 30 20 JKED Cc1ccc([C@@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1822063143 MPMVUDDAHZCWHP-AVHDXFAHSA-N 476.602 5.015 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)[nH]n1 1822391800 NTWABTOKEUOMLX-HXUWFJFHSA-N 483.494 5.086 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823211463 MLABZTTXFQRJBB-YKSBVNFPSA-N 485.588 5.039 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823304148 NXINGQFWTHEHMX-SGTLLEGYSA-N 453.345 5.374 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1823703007 JWWLTGUEIQWXEZ-JWQCQUIFSA-N 457.058 5.666 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Br)ccc3F)CC2)cc1 1823931696 GLJDHVXUMNQDOE-QHCPKHFHSA-N 498.396 5.007 30 20 JKED COc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC3CC3)CC2)cc2ccccc2c1Cl 1824411610 VMPGSEMUNREMAU-DEOSSOPVSA-N 479.020 5.149 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1824502530 LYRWYTKIOIHXSP-VWLOTQADSA-N 484.040 5.104 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)c[nH]2)cc1 1825423282 YCNHKXUNABSGPL-LJAQVGFWSA-N 494.639 5.338 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2CC)CC1)c1ccccc1 1825515717 LLDNPMIITVJBHU-LSYYVWMOSA-N 471.645 5.075 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1826947458 NHSWHROIUCVAHT-HOFKKMOUSA-N 479.709 5.663 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828979488 WBFIJTRCVVAOEA-AWDJQHGGSA-N 477.690 5.132 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1829068356 RISCZHJMXDPQPS-PXDATVDWSA-N 454.655 5.411 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)c1 1830001428 CCEDQEKNVDNAQP-DEOSSOPVSA-N 494.433 5.176 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)cc1 1830675350 GXBBYMPTFMSRAO-PUFQGMHOSA-N 497.639 5.607 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)c(Cl)c1 1830723157 GBACEIJHEHQRNM-BVAGGSTKSA-N 476.020 5.175 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)CC1 1830753907 GULYIJUNYCDYQP-RCZVLFRGSA-N 451.655 5.122 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1830769613 SYZIPKKIUJDLES-AREMUKBSSA-N 475.658 5.201 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)CC1 1831203718 WUNFVHVBPLGJED-WUFINQPMSA-N 479.709 5.458 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1831371743 KRPGDPLHOMOTBJ-DFBJGRDBSA-N 451.586 5.266 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831746661 GJDKYIKHHLKTPA-DEOSSOPVSA-N 474.736 5.157 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)ccc(F)c1F 1832616347 LPWYXVMXOPYASG-VWLOTQADSA-N 479.571 5.011 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)c1 1832630841 NUGWCDASRZXKGE-NIYFSFCBSA-N 479.571 5.068 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)n1 1832635315 ZZJPEGQKFSBJKD-DVECYGJZSA-N 478.662 5.441 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3C3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)c[nH]c2c1 1832961477 XEEJMWJYIKOXNU-CRAHCDMOSA-N 494.639 5.224 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(CCCCC)cc3)CC2)CC1 1838374840 KBUDTDAXDNDOMS-LJAQVGFWSA-N 494.720 5.729 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1Cl 9848267 MGHMAXXRTTTXKY-UHFFFAOYSA-N 474.417 5.619 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2F)cc1 11171679 BKSFEEDCMTZYRD-UHFFFAOYSA-O 455.644 6.746 30 20 JKED Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)o2)c1 11738564 KJFYUKWEKWSKRE-UHFFFAOYSA-N 487.585 5.275 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)nnc1-c1ccc(Cl)cc1 18972551 DMVGSMXNTIXYOH-NRFANRHFSA-N 499.036 5.258 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2ccc(C(C)(C)C)cc2)c1 71793490 XLLVBJZYXYOBDT-UHFFFAOYSA-O 488.460 6.638 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 72096699 XNEAXMQRQGPGLI-AREMUKBSSA-N 497.624 5.443 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nc(-c2ccco2)cs1 195677382 DPVHIJMKEHTXSG-UHFFFAOYSA-N 487.994 5.144 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 303202728 ZYTMUCPCJXJJPU-LJQANCHMSA-N 456.521 5.038 30 20 JKED C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 303309509 FGSAJTOJXAOAOW-CQSZACIVSA-N 459.855 6.462 30 20 JKED Cc1ccc([C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)N2CCCC2)o1 481593044 CAORKTCTWPGBFV-HSZRJFAPSA-N 462.525 5.136 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2F)c1 481665104 YZQLMPMZVKMPGS-LOSJGSFVSA-N 463.484 5.457 30 20 JKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)CC1 491550401 KCCRWQQVSOGPRK-VWLOTQADSA-N 460.622 5.307 30 20 JKED COc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1OCC(F)(F)F 497385113 GFGFPNYEADJDPR-UHFFFAOYSA-N 477.336 5.232 30 20 JKED COc1cc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1OCC(F)(F)F 498511839 VFNQGUSWXOCIGH-UHFFFAOYSA-N 470.447 5.017 30 20 JKED Cc1csc(Sc2c(Cl)cccc2NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)n1 499106986 QJGFUUCWYURBGY-UHFFFAOYSA-N 483.022 5.359 30 20 JKED C[C@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)N(CCC#N)c1ccccc1 501072818 JIWXGIXOSVXXSY-AWEZNQCLSA-N 477.373 5.383 30 20 JKED Cc1noc(OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(C)o2)CC3(C)C)n1 501977532 LHTLLDFWJQEOBM-VURMDHGXSA-N 450.520 5.008 30 20 JKED N#Cc1ccc(C(=O)CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)cc1 503643684 QPZDLOWDOFIFAA-UHFFFAOYSA-N 479.359 5.196 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 505698414 WNZMURSDEZTQHW-UHFFFAOYSA-N 483.549 5.603 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 508288785 NMGUXDJTDPHCBT-UHFFFAOYSA-N 455.493 5.024 30 20 JKED Cc1csc(Sc2c(Cl)cccc2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 509208155 KNBHEAGPGZSUKV-UHFFFAOYSA-N 492.047 5.586 30 20 JKED CCN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)[C@@H](C)c1ccc(C#N)cc1 509563842 JGHGRVCSJXWWOH-HNNXBMFYSA-N 466.335 5.389 30 20 JKED CC(C)[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1nc2ccccc2[nH]1 510229535 IDECUQBNBMGZJH-SFHVURJKSA-N 463.592 5.097 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 510230186 RLZOCKLYKGEJSW-SFTDATJTSA-N 455.558 5.521 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(CCc3ccc(OC)cc3)CC2)cc1 511028122 KXIJDGGWHOXOML-UHFFFAOYSA-N 461.606 5.386 30 20 JKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 511556070 YYIGADNYWAGHPF-ZHRRBRCNSA-N 466.368 5.807 30 20 JKED Cc1ccc(I)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 511688977 XREIOIQABNEUPL-UHFFFAOYSA-N 454.267 5.516 30 20 JKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nc2sc3c(c2c1=O)CCC3 514373568 KXDPSNIFGAZVAG-UHFFFAOYSA-N 467.641 5.557 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)o1 515447748 DSKZGOIJOURXLR-UHFFFAOYSA-N 455.445 5.374 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1nc2ccccc2n1C(F)F 515539209 PGVJMUCOOFXOBZ-HNNXBMFYSA-N 478.459 5.370 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccn1)c1ccc(Br)cc1 515692067 NYCVQWRDHOOZMW-UHFFFAOYSA-N 480.362 5.117 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nccn1-c1cccc(C)c1C 515826842 FUIUYHJIIJFKGL-UHFFFAOYSA-N 469.570 5.587 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCOc3ccccc32)c1 519470592 PCLNDCWNXPWGPZ-HXUWFJFHSA-N 497.016 5.017 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CN3CCCC[C@H]3C)cc2)cc1C 519943112 YEYGLBUDNVTUIC-JOCHJYFZSA-N 455.606 5.707 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 520923293 JLHPLIGCOFCAOQ-LBPRGKRZSA-N 455.483 5.739 30 20 JKED CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 521072100 LSYJWFYWYAGVNL-UHFFFAOYSA-N 488.432 5.114 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 521326377 PARNURCGEKKBKB-WBVHZDCISA-N 476.429 5.879 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 521749786 WMAJCUOGFMGGNX-UGKGYDQZSA-N 454.599 6.373 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4F)n3)cc2)c1 521792481 KBXIEJSITGUFRC-UHFFFAOYSA-N 472.501 5.380 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1 524266598 MAPXMVCWYKYMAT-UHFFFAOYSA-N 451.555 5.765 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)cc1 524460143 CSGKAMYPAHMEDL-HSZRJFAPSA-N 471.532 5.076 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 524676226 MACKFVSAZXHAQN-OALUTQOASA-N 459.571 5.547 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 587988694 HBVJQSCYUMZRJN-INIZCTEOSA-N 496.445 6.456 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccc(Cl)cc1 598034641 FUDIYICWNDOBMI-WCCYLALTSA-N 458.031 5.196 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)c2cccs2)cc1 603706165 LFHMHRPIFCNNGY-RUZDIDTESA-N 496.592 5.775 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)c(C#N)c(C)c1C 603742817 AQZCSGKZTMUFQW-UHFFFAOYSA-N 498.530 5.880 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)cn2)cc1 603764575 NZEFRHSBDZHPGJ-OAQYLSRUSA-N 481.339 5.296 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)c2)cc1 603828324 HQSLXRBMZGLBCO-UHFFFAOYSA-N 494.595 5.420 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604241588 AUPMDSYFNZKFQN-UHFFFAOYSA-N 462.513 5.130 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 604287374 JJGXWVNTTRYCHB-IRXDYDNUSA-N 472.454 6.053 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)s2)cc1 604288565 AMNYUKXRUOSSKI-KBPBESRZSA-N 462.419 5.200 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)o1 604464652 HQQOTXSHCXOOIE-MZNJEOGPSA-N 455.514 5.197 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c1C#N 608778356 LBCNWLVLWCJYBX-UHFFFAOYSA-N 450.539 5.051 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609079218 PJBCXJVKIGBKCH-HDICACEKSA-N 485.428 6.040 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609175857 KAHFPWYJLASBMP-HSZRJFAPSA-N 492.373 5.506 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 609369579 DZJOVSWMOJAOHO-AWEZNQCLSA-N 458.012 5.261 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 609430728 UCLHHVDADBYYTK-MRXNPFEDSA-N 469.563 5.273 30 20 JKED C=CCn1c(SCC(=O)NCC2(c3ccccc3)CCCCC2)nnc1-c1ccccc1OC 613931717 BDAQZRCDDVOHJB-UHFFFAOYSA-N 476.646 5.250 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618554974 AQYMRIJEJLSWGS-HWWDLCQESA-N 494.455 5.699 30 20 JKED C=CCN(C(=O)CCc1nc(O)c2ccccc2n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891439 IKZCLELKKYEPCC-UHFFFAOYSA-N 492.604 6.278 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc12 642282688 VVBGWCJYUYZXEC-KRWDZBQOSA-N 461.497 5.689 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cccc(COC(C)(C)C)c2)C1=O 726106291 LLOBLBNVDCBGGE-XMMPIXPASA-N 489.641 5.423 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2c(Cl)cccc2Cl)C1=O 726415938 PZUOPJOPJABPDI-LJQANCHMSA-N 480.417 5.048 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1 726436394 QHNSWWPUGGSDSH-UHFFFAOYSA-N 455.992 5.239 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cccc(Cl)c2)cc1 726571526 HTYCYXMMHNELSI-UHFFFAOYSA-O 481.041 6.038 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccccc2CC)c1 726572857 PZCJNYTXTFEKKL-UHFFFAOYSA-O 470.618 5.248 30 20 JKED C[C@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1ccccc1NC(=O)c1ccccc1 726735738 OLGHCXLCLYZITQ-IBGZPJMESA-N 466.493 5.901 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1Cl 726891672 PMYZEIZWFFXDEY-KSFYIVLOSA-N 495.004 5.465 30 20 JKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 726909778 XYTQCGNKVKXBLC-UHFFFAOYSA-N 463.559 5.965 30 20 JKED N#CCOc1cccc(NC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1 727224465 HYIQANBPXOXLPT-UHFFFAOYSA-N 495.410 5.835 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2c(C)cccc2C)c1C 727252718 MFBPFHPNZZUPSX-QHCPKHFHSA-N 489.645 5.297 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 727934555 DDBPYSNKZSQPGJ-UHFFFAOYSA-N 468.435 5.182 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 728776160 KWADERRKCIFTEK-QHCPKHFHSA-N 474.561 5.633 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CCCCC#N)C2=O)cc1Cl 728779502 JBRLHSCRCYDLHX-OAQYLSRUSA-N 479.993 5.174 30 20 JKED Cc1ccc(-n2c(-c3ccncc3)nn(CN3CCC(Oc4cccc(C#N)c4)CC3)c2=S)cc1 729466851 CCKMOVRPLMPGMT-UHFFFAOYSA-N 482.613 5.146 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cocn1 730709566 VBWWKNBFMUCVAA-HXUWFJFHSA-N 468.966 5.105 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(C)c1OC(F)F 730921044 UNNPATSWERBTKO-IBGZPJMESA-N 450.441 5.658 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 731059690 JOYMGGVFYBNHAZ-IMOWGURISA-N 491.451 5.296 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc(Cl)c2)C1=O)Nc1cccc(O)c1 731307785 VIYMKDWEOGKDBO-NRFANRHFSA-N 465.962 5.206 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(Cl)s2)c1 731308865 RHGCWXWOCCYFCF-LJQANCHMSA-N 486.018 5.576 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1 746697661 JCNSIZMRKZEYHM-QHCPKHFHSA-N 467.635 5.389 30 20 JKED C=CCc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2ccccc2C(C)C)cc(OC)c1O 747140972 UTUJHWOKEZTQAH-QHCPKHFHSA-N 465.619 5.026 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cscn3)C2=O)cc1 747598324 ATRNTIDJKQEKAA-JOCHJYFZSA-N 492.626 5.123 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cscn3)C2=O)c1 747601360 GLJJNRCZEQVFSE-HSZRJFAPSA-N 492.670 6.044 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CC(F)(F)F)C2=O)cc1 799209732 CEVVWSVIJMHRFF-HXUWFJFHSA-N 471.504 5.671 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(F)cc2Br)cs1 812464158 UUIOTSFHRFKAQQ-UHFFFAOYSA-N 467.751 5.829 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N([C@H](C)c2cccnc2)C1=O 837300375 UNEUKNZMEGXLOR-NTKDMRAZSA-N 488.613 5.429 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1ccccn1 837301894 PGAGDXGRWFYXPB-KSFYIVLOSA-N 480.540 5.390 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1ccccn1 838510076 MRTGHBNYMKPPTQ-VWLOTQADSA-N 496.592 5.404 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Oc2ccc(C(C)=O)cc2OC)c1 900692625 VJDQBIPIOMAYNR-UHFFFAOYSA-N 499.972 5.152 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1 914542544 GBVVCTPNXAIXIP-QHCPKHFHSA-N 488.613 5.176 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@@H](C)C(C)C)ccc1Cl 914777927 KRZXSHZTNQTASM-SFHVURJKSA-N 461.027 5.370 30 20 JKED CCCCCCCCc1nnc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)s1 915311395 HNRFXTIBZAMLNI-UHFFFAOYSA-N 461.607 5.007 30 20 JKED Cc1csc(SCc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)n1 916074743 YODNXMZPXJAJEA-UHFFFAOYSA-N 458.568 6.055 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CC3)C2=O)cc1 916204374 DFPSYMDNWORDCO-LJQANCHMSA-N 461.946 5.001 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(OC)ccc3OC)C(=O)N2Cc2ccco2)cc1 916213523 FWKHHUAPGBJJOH-HSZRJFAPSA-N 493.585 5.020 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(OC)ccc3OC)C(=O)N2C2CCCC2)cc1 916215640 WHERPDDUHSZZMC-HSZRJFAPSA-N 497.617 5.005 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916277987 YIPCUBXUGRMTID-UHFFFAOYSA-N 481.921 5.479 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Cl)c2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 916847987 XVAXGNVUASMQFO-INIZCTEOSA-N 463.946 5.338 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1 916891015 RAOZFJWQYHSYPH-HSZRJFAPSA-N 455.489 5.263 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907078 HHKHTTJCAVFYJT-QFIPXVFZSA-N 485.540 5.716 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccccc1Oc1ccccc1 916907091 HOEASOUDPAXTSV-HXUWFJFHSA-N 469.472 5.553 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 916908667 BZMMIWJBLZPGJU-KRWDZBQOSA-N 451.935 5.177 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 916911645 CTWOGOWNSXBSMO-JOCHJYFZSA-N 490.357 5.225 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 916948268 FQYTVAWMTBVPEK-FOIQADDNSA-N 484.383 6.442 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 916954617 JLSOZGWVHJMUNL-HNAYVOBHSA-N 463.559 5.302 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)[C@@H]2c2cccs2)cc1 917040086 ICWWIAVVWBXONP-IUKKYPGJSA-N 490.535 5.772 30 20 JKED CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 917379115 NTHFOONDLYYYEU-DEOSSOPVSA-N 456.546 5.354 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 917606496 TWLIYEGIMRIGHF-UHFFFAOYSA-N 465.918 5.511 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1 917682784 YVDNNVVJSBDANP-GOSISDBHSA-N 499.942 5.356 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccsc1 917687995 YTLZQQPJZOOENU-JOCHJYFZSA-N 479.627 5.480 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(C)s2)C1=O 917703514 NPQXTKIQQDJWNS-QFIPXVFZSA-N 490.610 5.097 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 917707755 AIKJEBKFZQIYEH-CPJSRVTESA-N 486.641 5.604 30 20 JKED C=CCN(C(=O)c1cc(S(C)(=O)=O)ccc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 918147150 GWHRUDUKKDSOOG-UHFFFAOYSA-N 485.389 5.492 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@H](C)c2ccc(C)s2)C1=O 920170679 NILVJQZFGJBHJQ-BDJLRTHQSA-N 456.420 5.192 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)nc(O)c2c1C 920269749 YLYMTMNMDUDHEX-DZGCQCFKSA-N 481.628 5.030 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)cc1 920355610 KZVICFJMYAXYHX-JOCHJYFZSA-N 480.565 5.153 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)c(F)c2)cc1 920358202 ZFMGLWPWNSDFGQ-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cs1 920367714 OLVHXRSNWOKVPZ-BIENJYKASA-N 497.612 5.469 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 920478701 PUAZUVHKQNTFNB-MBSDFSHPSA-N 499.567 5.196 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1C 920893658 YKAUALPZIZOXQL-HXUWFJFHSA-N 484.556 5.203 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3CSc3ccccc3)CCO2)C1 1778888211 ZBRBIKQMRCGILZ-IRPSRAIASA-N 490.669 5.191 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785793063 VYYIVUYXPPKHOP-OGLMXYFKSA-N 477.996 5.041 30 20 JKED CC(C)(C)OC(=O)CCCCCCC(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787889197 NNCBGYKUFBKLLP-UHFFFAOYSA-N 455.599 5.107 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccoc4)CCC3)cc2)c(C(F)(F)F)n1 1788356397 JJPGJFYDCVJQKN-XNWCZRBMSA-N 480.446 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)CCC2)c1 1788900658 VWJOSBSPAVVLAI-LJQANCHMSA-N 481.552 5.146 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1)c1ccc(O)cc1 1789318234 YNMQSECGTYXGNK-NRFANRHFSA-N 492.579 5.213 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(Br)cccc5n4)cc3)CCC2)CC1 1789367789 VFDMNFOZLQQBQY-UHFFFAOYSA-N 489.373 5.049 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1)c1ccccc1 1789577811 KPMINAKBRWZKAC-RLBBTWETSA-N 467.569 5.030 30 20 JKED Cc1ccc(OCCC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)cc1 1790286975 SLFYQSGCXBPPOT-UHFFFAOYSA-N 453.542 5.084 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)cc3C)CCC2)cc1 1790510971 BOCBMLFTFLRYAE-UHFFFAOYSA-N 499.405 5.015 30 20 JKED COC(=O)Nc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)c1 1790586746 HDHJYBBDXOCTAF-UHFFFAOYSA-N 496.567 5.117 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)cc2)CCC1 1790812482 CEZXQCFPQSSOPJ-UHFFFAOYSA-N 493.560 5.128 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cn5ccc(C(F)(F)F)cc5n4)cc3)CCC2)C1 1790824943 NGWDUIVMDMKART-UHFFFAOYSA-N 468.479 5.067 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Br)cc4c3)cc2)CCC1 1790868008 UIWFDTRCQVVIKB-UHFFFAOYSA-N 491.389 5.295 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Br)cc4c3)CCC2)cc1 1791578707 KYXIDKXADRTHRV-AWEZNQCLSA-N 484.419 5.063 30 20 JKED CC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cc1 1792137708 HWCWAHMFOTYUEJ-UHFFFAOYSA-N 486.959 5.232 30 20 JKED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCCCCCCCCc4ccccc4)C[C@@H]32)CCC1 1792142537 PIJGUEOSFFBXDX-QKDODKLFSA-N 493.692 5.023 30 20 JKED CCCOc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)cc1 1792240232 RKJNOXAUWHTULW-UHFFFAOYSA-N 483.568 5.174 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc3)CCC2)C1 1792338282 BXCKEEDOBRLARV-AVRDEDQJSA-N 469.626 5.026 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCCCC(F)(F)F)cc1)C2 1793052684 KJVRVAIERPMDMN-KOUNCHBCSA-N 478.555 5.428 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 1799840106 OPNNSWMBBKADGX-OCPYUOQBSA-N 490.688 5.384 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)cnc2s1 1801160539 QWGGZFIWUWKLAV-FCGDIQPGSA-N 488.451 5.079 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(C(F)(F)F)nc3sc4ccccc4n13)C2 1801639675 UMTXOBQXSOYIKT-JONQDZQNSA-N 490.551 5.032 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1803085029 XLJCXBYWEPKXRV-AHWVRZQESA-N 487.644 5.273 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1805366012 YCIJRJNFKBUIBL-SHQCIBLASA-N 484.600 5.133 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)CC2)C1 1806063265 OMXPFRDXZKHSBZ-XMMPIXPASA-N 482.690 5.183 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CC2)C1 1806065234 CRPZFHXDOYUHHK-PGRDOPGGSA-N 484.628 5.081 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1806681822 KSGYBQKNHPQNCZ-JYFHCDHNSA-N 466.025 5.142 30 20 JKED N#CCCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1806869561 RYRQFRBLJZLVON-OFSOJUDTSA-N 488.676 5.755 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1)c1ccc(O)cc1 1808214883 GFMNZPZMNNAHCR-FQEVSTJZSA-N 485.049 5.149 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1809671091 CDLNGYXZVFIWNN-SMTRDTIPSA-N 477.008 5.123 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1810178576 QWMMQQRSRCHFMC-PQNGQFLHSA-N 485.550 5.497 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810272554 PPPIWURZLPGFRM-UKILVPOCSA-N 467.730 5.131 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)s1 1810273292 CXGJVDLSMAOZBE-KCWPFWIISA-N 495.765 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1810494344 DVBUNGXMDDSHNY-NFACAIDUSA-N 470.617 5.275 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccnc1 1810504144 XNHZMIQLAJLCIU-WMZHIEFXSA-N 470.013 5.056 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC4(CCN(C(=O)CCc5cccc(C#N)c5)CC4)C3)c2O1 1810716968 SMVZUHXLEWGUSV-UHFFFAOYSA-N 499.655 5.139 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811732892 GSXKEQBSTJRWFP-YADARESESA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3C3CC3)[C@H]2c2cccnc2)c1 1813869944 VCUSTIMTSPSBLK-VGTADKHUSA-N 478.596 5.219 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)[nH]n2)C1 1814397713 UALJZYXZTIANLX-QGZVFWFLSA-N 451.329 5.128 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)[nH]n1 1815242946 JOERBRCLNMVIGR-REWPJTCUSA-N 499.587 5.010 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818210783 QTGDGRYQLXDYTR-SFHVURJKSA-N 494.590 5.379 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(-c4nccs4)noc3c2)n[nH]1 1818977736 HLABSMCFIWRGLD-DNVCBOLYSA-N 490.589 5.193 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](CC=C)C(=C)C)n[nH]1 1819308814 DHKRACUPZXRMMN-ONTIZHBOSA-N 499.656 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1819554090 FFJRAUHDUNFVGE-GOSISDBHSA-N 486.041 5.971 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)[nH]n1 1819554140 HMDQZMBLZJFNRN-NRFANRHFSA-N 462.598 5.078 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c1Cl 1820219998 CVTZHZZEWPNHLH-GOSISDBHSA-N 486.334 5.347 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1820822861 CIYLOFQRGYPBQM-XXBNENTESA-N 490.007 5.070 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)[nH]n2)cc1 1821182339 OQHJINJMNMPPEV-QHCPKHFHSA-N 486.963 5.230 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)c(Cl)c1 1821279024 XUVDVVJTNSAFCZ-OAQYLSRUSA-N 453.974 5.211 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(C#N)c2)n[nH]1)c1ccccc1 1821321685 BMOVLUAIVTYVDL-ISKFKSNPSA-N 455.562 5.090 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)[nH]c12 1823214602 GSLPCRBUFJOXTJ-MHECFPHRSA-N 480.572 5.446 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216216 DVDKTNNODONSRW-KOSHJBKYSA-N 473.552 5.033 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccncc34)[nH]n2)c1 1823216825 OTOGEUXRWKRZEM-AVRWGWEMSA-N 478.556 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c1 1823217448 SVMZWNUEIONETF-AVRWGWEMSA-N 467.573 5.534 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCSCc3ccc(C)cc3)CC2)C1 1823702998 JHCXSYFQGFHSEQ-VWLOTQADSA-N 454.680 5.204 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1824141960 AXNKTSASDYIENY-QHCPKHFHSA-N 469.029 5.218 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1824539264 VBYTVECLHMLRAG-FCHUYYIVSA-N 495.611 5.374 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1824540648 MTXMLIVGBCTHOA-WIOPSUGQSA-N 494.661 5.011 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 1824761076 GNVJRZYTITWYPB-DQEYMECFSA-N 497.680 5.006 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825962916 VPYLSTMVZFUAKK-FQEVSTJZSA-N 452.517 5.034 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 1826418940 LAUZPFXBBFUBSP-KHGZIGHDSA-N 468.682 5.419 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1828397286 MOCWRYNQGQCIPS-SDHSZQHLSA-N 473.057 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828526899 RDABEJVIUFNUBD-WNCULLNHSA-N 475.633 5.251 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2SCc2ccccc2)CC1 1829492189 FCPSVIOONZAQTL-SANMLTNESA-N 489.685 5.411 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829569869 DLSKHMJBGLJNLU-ATIYNZHBSA-N 493.673 5.411 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829692904 PJCMHJZEOPJYBA-PGRDOPGGSA-N 497.064 5.021 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)c(C#N)c1 1830292121 KBHTVBNQLTUKLI-AREMUKBSSA-N 494.035 5.005 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1830767972 UDZNHFFANQJRJE-XMMPIXPASA-N 460.622 5.039 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830909049 SANIYGWWWRHWOA-RUZDIDTESA-N 478.709 5.717 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1832034752 UTLTZNHEMFLXMF-SANMLTNESA-N 470.613 6.013 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2cccnc2)CC1 1832339880 IOWDKXCYTBJLJY-AREMUKBSSA-N 481.757 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4F)CC3)CC2)c1 1832635614 LJVZQAWCICQBSL-KDYSTLNUSA-N 487.619 5.418 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1C#N 1832703664 OQDCBHWPWAGLDT-RUZDIDTESA-N 499.611 5.639 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1832922727 UMDPKGPMWGRVJE-XZOQPEGZSA-N 491.717 5.292 30 20 JKED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)C4CCC(c5ccc(Cl)cc5)CC4)CC3)CC2)C1 1833046341 UCRIRZJPHSWOAY-UHFFFAOYSA-N 498.111 5.152 30 20 JKED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)C4CCC(c5ccc(Cl)cc5)CC4)CC3)CC2)C1 1833340155 GZPJTGZAIHIREG-UHFFFAOYSA-N 498.111 5.152 30 20 JKED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CC1 1837071641 IUURFXKSFCSSKA-UHFFFAOYSA-N 496.648 5.024 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)cc2C)cc1 10168747 JIXSWQLZPUQYPY-UHFFFAOYSA-O 467.605 6.824 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccccc2CC)c1C 10169034 JCVJXRZFTSSRRC-UHFFFAOYSA-O 478.638 5.326 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172722 TUHFQFPEPWYKEP-UHFFFAOYSA-O 472.493 5.097 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(CC)cc2)cc1 10173816 IPXKYLOANCAOND-UHFFFAOYSA-O 474.433 6.293 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 10762705 QSZGRIBQYWEAAS-UHFFFAOYSA-O 456.994 5.446 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccccc2CC)c1C 11084340 XYGYIFBBCKMSNC-UHFFFAOYSA-O 478.638 5.271 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c1C 11265529 RSSBSXJEZQWRHL-UHFFFAOYSA-O 478.638 5.578 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)n(C2CCCCC2)c1C 16622917 ZCBSNYGVMXMXOR-UHFFFAOYSA-N 483.041 5.662 30 20 JKED N#Cc1ccccc1CN(Cc1ccco1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 22350713 TUFYORZADNOEHE-UHFFFAOYSA-N 454.857 5.215 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc3c(c2)CCCC3)cc1 22729532 RBCBHEDTVMAMDG-UHFFFAOYSA-O 459.635 5.919 30 20 JKED O=C(/C(=C(/S)NCCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 22735024 ZZPZXJJWVMFICP-UHFFFAOYSA-O 496.612 5.244 30 20 JKED CC(C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2cc(Cl)ccc2c1=O 23585772 YKZNRMZZAXIMKO-HNNXBMFYSA-N 472.973 5.197 30 20 JKED Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1Cc1ccccc1 23608166 CXLKPLGVBUPUKT-FRQRHGNXSA-N 477.634 5.306 30 20 JKED O=C(Nc1ccc(Br)cc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 24376591 XVBKOEAKUCDEDW-UHFFFAOYSA-N 496.180 6.064 30 20 JKED C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)c1ccc(C#N)cc1 26114196 JWRFWWDOISKSPS-INIZCTEOSA-N 475.524 5.054 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)n1 26224180 NGZXBKVAXLPMJS-HXUWFJFHSA-N 490.972 5.050 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 71939975 FZRYDSPASGKMAV-OAHLLOKOSA-N 481.002 5.059 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(Cl)ccc2Cl)=C(/S)Nc2ccc(Cl)cc2)c1 98069603 QNKOKPVBOYMRMB-UHFFFAOYSA-O 450.798 6.294 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)c2)cc1 195640058 SSCFARFOGMMENH-UHFFFAOYSA-N 483.955 5.447 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 303079160 SZCPTVLHYCRMOP-HSZRJFAPSA-N 457.549 5.321 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nc2ccccc21 303110121 KDNLKUMEMLJRDZ-VWLOTQADSA-N 451.530 6.089 30 20 JKED Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 303159291 OQYLENXWERGXIG-UHFFFAOYSA-N 457.599 5.797 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)c2)cc1 409780520 UXAXQPLIOLKUMY-IGKIAQTJSA-N 455.558 5.621 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 479812137 GHXZDZUFRSFTDO-IRXDYDNUSA-N 490.098 5.300 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CCOCC2)cc1 481656862 LMHRBPJNFMXWAY-UHFFFAOYSA-N 489.547 5.155 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2)n1 499694976 MQCOXOVAXBTDNC-UHFFFAOYSA-N 450.542 5.446 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3Nc3cccc(C(F)(F)F)c3)CC2)c1 502042217 OMRYAHBORCAECR-UHFFFAOYSA-N 492.501 5.812 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1 508286260 HSIRCKLQNTXKNV-IBGZPJMESA-N 499.571 5.108 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)Cc3cccs3)cc2Cl)cc1 508357006 BHVAGMRMRHWJLV-OAQYLSRUSA-N 465.962 5.238 30 20 JKED C=CCn1c(SC[C@@H](O)COCc2cccs2)nc2sc(-c3ccccc3)c(C)c2c1=O 508597587 XOKWGVSRTFTPST-SFHVURJKSA-N 484.668 5.351 30 20 JKED C=CCn1c(SCCCc2nc(-c3ccc(C)c(F)c3)no2)nnc1[C@@H]1COc2ccccc2O1 515176697 KFLQKFJQLFPQJX-NRFANRHFSA-N 493.564 5.199 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c12 515542798 GKHGYLYLEWYEDU-LJQANCHMSA-N 455.587 5.986 30 20 JKED Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1Cl 515697017 KCTGWILQPGZYRQ-UHFFFAOYSA-N 460.342 5.227 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1 516384105 HMMXRPRRWZTUQZ-UHFFFAOYSA-N 482.565 6.018 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 517517842 KTAPQXLWRVZXMX-FQEVSTJZSA-N 482.609 6.123 30 20 JKED C=CCn1c(SCc2nccn2C)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 517551133 VEGCDHSSNNPELP-UHFFFAOYSA-N 452.587 5.681 30 20 JKED CN(C(=O)Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1)c1ccccc1 518815515 CSOCDEXPAFSUGG-UHFFFAOYSA-N 491.616 6.308 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cccnc2)nnc1-c1ccc(Cl)cc1Cl 519378175 VRHZVTUKSUQGMT-AWEZNQCLSA-N 462.406 5.145 30 20 JKED COC[C@H](C)n1c(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnc1-c1ccccc1 520917275 VMJREJVXFAIWQS-IBGZPJMESA-N 499.596 5.547 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)cc1OC 521581086 WFOMTAVUXGHDRT-QGZVFWFLSA-N 482.968 5.179 30 20 JKED C=CCN(C(=O)Nc1ccc(C)cc1OCc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 521809093 VCZWZYFYUFDJHL-OAQYLSRUSA-N 468.561 5.331 30 20 JKED COc1c(C)cc(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C 522521648 QCKOYSIYRSRDCJ-QHCPKHFHSA-N 475.976 5.218 30 20 JKED O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 594442576 YNTONOWZNNJXNX-UHFFFAOYSA-N 496.726 5.451 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1Cl 603758813 JBKFVDMVNFJWOW-HSZRJFAPSA-N 485.996 6.239 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)s2)cc1 603992331 RIJNWYJYBBEXJN-UHFFFAOYSA-N 457.580 6.078 30 20 JKED CC(C)c1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2cnn(C(C)C)c2n1 604003481 BVUNGGYEHNNYDC-UHFFFAOYSA-N 467.573 6.033 30 20 JKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)[nH]c2c1 609079284 UDSVYAOMGFEWQX-SANMLTNESA-N 465.557 5.999 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1c(Cl)cccc1Cl 609255228 VYOQCMKXIDFGEE-UHFFFAOYSA-N 483.355 5.085 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1)c1ccccc1 609421364 LJARAWUAJAIZFR-UHFFFAOYSA-N 470.501 5.077 30 20 JKED CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1 609430382 AIMRJDHRNJQECU-GOSISDBHSA-N 495.626 5.533 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 609431118 SMYMAZJPZWDIBN-VGSWGCGISA-N 479.005 6.117 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609439510 HPJRSQHVASHDLG-LSDHHAIUSA-N 499.061 5.982 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)n(Cc2ccccc2)c1C 611169148 RGLAYHHBPHMORO-SFHVURJKSA-N 485.613 5.485 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404447 NMKNZAZSZLSZLE-HNNXBMFYSA-N 485.512 6.143 30 20 JKED CCOc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 620288377 NXSXUSMLVGWLOU-UWVGGRQHSA-N 452.317 5.699 30 20 JKED CC(=O)Nc1cc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1F 622517983 SWSLLEUVRRIHBO-SFHVURJKSA-N 478.364 5.035 30 20 JKED C=CCn1c(SCC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)nnc1-c1ccc(Cl)cc1 659729045 OUHFEDIVZCHEJL-UHFFFAOYSA-N 492.048 5.764 30 20 JKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)NCC(F)(F)F)cc1 725760580 GVTJKTBMVZNJEW-UHFFFAOYSA-O 468.565 5.235 30 20 JKED C=CCn1c(-c2cccnc2)nn(CNC2(c3ccc(Br)cc3)CCC2)c1=S 725772901 MFMVYKGHTIHDPW-UHFFFAOYSA-N 456.413 5.051 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc([C@@H]3C[C@@H]3C)o2)cn1 726114069 USVARTOWOUHAQD-AMHTUMDSSA-N 491.617 5.088 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](c2ccccc2)C2CC2)cn1 726114771 YXKDNJQVPVRNPK-ISKFKSNPSA-N 491.592 5.154 30 20 JKED N#Cc1c(NC(=O)COC(=O)c2csc(-c3c(F)cccc3F)n2)sc2c1CCCCC2 726218166 LNPRMDZGBOSEDU-UHFFFAOYSA-N 473.526 5.086 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N/[C@@H](C)c1ccc(Cl)cc1Cl 726396056 IDXXFKOVFKWMBY-IVKNYRDCSA-N 490.412 5.025 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Br)cc2)c1 726572167 VSNBMYZXDHZDIP-UHFFFAOYSA-O 485.814 5.893 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C2CC2)cn1 726887514 FUDBXUJBKWXEHJ-MRXNPFEDSA-N 499.807 5.173 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 728424275 XNVXJYYNBMOKDI-CYFREDJKSA-N 483.597 5.292 30 20 JKED Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 729217618 ZBWPTTUHPKBLAV-UHFFFAOYSA-N 458.495 5.572 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1)c1ccccc1 729888514 GWUKFQIWKCDVSJ-NRFANRHFSA-N 479.508 5.239 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cc3ccccc3o2)C1=O)Nc1cnccn1 730715134 JWXHFEAXYVKRLD-FQEVSTJZSA-N 491.960 5.037 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2cocn2)cc1 730719960 MAJSIUKKMSCCGU-IBGZPJMESA-N 488.491 5.162 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943278 BDRWFCCNZNURCC-YADARESESA-N 488.613 5.510 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 730943971 OPWDVIOFAGQROG-HRAATJIYSA-N 464.978 5.457 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944776 FZUUDYBBCFVOLV-NBGIEHNGSA-N 486.641 5.604 30 20 JKED COCCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2cc(Cl)ccc21 730951284 FKDUXCUAFIUJCJ-OAHLLOKOSA-N 475.039 5.319 30 20 JKED C[C@@H](OC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl)C(=O)Nc1ccccc1C#N 731085691 SRFWRMASEAHUAH-OAHLLOKOSA-N 450.926 5.014 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 731114649 SNXMVRDGAFIIOR-OAHLLOKOSA-N 493.511 5.219 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cscn2)cc1 731307011 ZFGFYWKLVTVCSE-QFIPXVFZSA-N 494.642 5.352 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C)oc12 746050386 DULCBMACWXBFOZ-UHFFFAOYSA-N 488.971 5.648 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3SCC#N)cs2)cc1 749318287 UBTLHLZZMZAVEI-UHFFFAOYSA-N 467.572 5.008 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CSc2ccc(C(F)(F)F)cn2)n(C2CCCCC2)c1C 763394882 NVJLEMJUDXMZDJ-UHFFFAOYSA-N 494.539 5.170 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1ccc(SC(F)F)cc1 799216424 AYXQUFTVHNLPRD-HNNXBMFYSA-N 489.491 5.524 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(CC(F)(F)F)C2=O)cc1 799218009 YUVAIFJHZNQUDK-LJQANCHMSA-N 477.508 5.029 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 799223595 JZYQESAQVFCMSH-OAHLLOKOSA-N 476.307 5.516 30 20 JKED C=CCOC(=O)c1sc2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)nc(O)c2c1C 824069386 UNOKLEGIKVVESL-UHFFFAOYSA-N 460.515 5.359 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@H](C)c3ccccn3)C2=O)cc1 837885233 YQOISMBWSNWZHC-VGSWGCGISA-N 479.005 5.765 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccc(C)cc1 838483189 PIBAZFJBUXYLLJ-XMMPIXPASA-N 489.597 5.173 30 20 JKED Cc1nc(SCC(=O)O[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)c(C#N)c(C)c1C 856692822 MNONNFWGUWGGDL-HXUWFJFHSA-N 473.598 5.132 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)Cc2ccccc2C(F)(F)F)c1=S 887563319 XMWIIPGNYICIEH-UHFFFAOYSA-N 466.504 5.426 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 904507081 REPGRLMPBHYAFJ-KRWDZBQOSA-N 460.893 5.771 30 20 JKED CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)CC1 904988837 QEASJVBMUIGLQD-UHFFFAOYSA-N 469.357 5.540 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 914501444 IDVKIRBSAFFVNJ-UHFFFAOYSA-N 485.968 5.202 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 914680095 MMJYPCKIJPJZKH-OAHLLOKOSA-N 475.492 5.424 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 915055448 PDMZTVJGCVUDJO-UHFFFAOYSA-N 460.490 5.481 30 20 JKED N#C[C@@H](C(=O)COc1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915101975 LTGDIRKZQQIACN-SFHVURJKSA-N 486.380 5.721 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915107175 NHYZNKUWDXHOKM-AWEZNQCLSA-N 474.298 5.782 30 20 JKED COc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1NC(=O)OC(C)(C)C 915282954 ZTLWIIYZVGLHMN-UHFFFAOYSA-N 473.529 5.745 30 20 JKED CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915353751 QKXMZVXYYQMEDH-JOCHJYFZSA-N 497.555 5.062 30 20 JKED CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 915722853 MXSFKFBJRKVXIK-RSXGOPAZSA-N 489.019 5.133 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCCC2)cc1 915784779 TWOXMLWCBKNIRK-KAYWLYCHSA-N 451.570 5.718 30 20 JKED CCc1cc(O)nc(-c2cccc(N=Cc3cc(Br)cc(Br)c3O)c2)n1 915983252 VHYQRJZVKUSHRF-UHFFFAOYSA-N 477.156 5.393 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCCn1c([N+](=O)[O-])cnc1C 916135285 OYBAIYVEJXQWRM-CSKARUKUSA-N 455.898 5.127 30 20 JKED COc1cc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cc(OC)c1OC 916137972 ZIKNPRISNRBDGJ-FPLPWBNLSA-N 460.349 5.495 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(C3CCCC3)C2=O)c(OC)c1 916206414 YNSFCLGKFLUEIT-HSZRJFAPSA-N 481.618 5.224 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(C[C@H]3CCCO3)C2=O)c1 916217149 GLIIPNNQZKPFAG-PXDATVDWSA-N 487.625 5.596 30 20 JKED N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1Oc1ccccc1 916905394 KKORCISQUWJMEZ-JOCHJYFZSA-N 465.509 5.804 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)cc1Cl 916941110 OYSORDWFIMZFRB-LJQANCHMSA-N 482.993 5.097 30 20 JKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 916976537 ROJLNDIIXWCVFG-KRWDZBQOSA-N 457.780 6.134 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc2c(c1)CCCC2 917614004 WNVOAZKIRMMRGV-UHFFFAOYSA-O 488.636 6.715 30 20 JKED COc1ccc(CN2C(=O)/C(=C/c3cccc(OCc4cccc(C#N)c4)c3)SC2=S)cc1 917643308 DUOGGNKQLVRGQF-OYKKKHCWSA-N 472.591 5.547 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704404 UEQSKTJXECMMFU-OPAMFIHVSA-N 492.601 5.350 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(N(C)C)cc3)C2=O)cc1 917704881 YYIRJZLDUADBJW-RUZDIDTESA-N 497.624 5.093 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(C(C)C)c2)n1 917714176 ORLQYBYDRWIPCT-QHCPKHFHSA-N 491.592 5.208 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccn2)ccc1Cl 919828036 TVAPYVSHYCSWSD-QHCPKHFHSA-N 499.995 5.233 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)n2)cc1 920143454 PTZKNWVQRROARE-DNVCBOLYSA-N 481.364 5.218 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3c(C)noc3C)C2=O)c1 920357229 WHPNAYCTXOVFKM-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)N[C@H](c2cccs2)C(C)(C)C)cc1C 920891911 GKCVEOINOICQAF-XMMPIXPASA-N 478.618 5.203 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1 1786037868 SVUHVMPQARYTON-FQEVSTJZSA-N 467.569 5.313 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4Cl)CCC3)cc2)c1 1786040655 DFZVOLIQXXHYBV-UHFFFAOYSA-N 497.986 5.420 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3F)CCC2)cc1 1786548451 XAEYXFMXODZBOD-JOCHJYFZSA-N 499.558 5.182 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C(F)(F)F)cc2)CCC1 1786781331 PMXMQWVNZFVWFL-OAQYLSRUSA-N 479.568 5.122 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1787390866 XYDDBYRJJAKHAF-LQKURTRISA-N 461.562 5.345 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)SCC(=O)N4)cc2)CCC1 1788525122 TUERXGPBAYHHHL-UHFFFAOYSA-N 477.630 5.471 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)cc2)CCC1 1789229172 BULSKQNQUGHKFQ-CYBMUJFWSA-N 461.509 5.253 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(F)c(C#N)c5)CCC4)cc3)cc2c1 1789242110 YKUGSSGFAAEAPJ-UHFFFAOYSA-N 497.526 5.443 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3Cl)CCC2)cc1 1789576319 SKIFISSADXHXOW-MZJWZYIUSA-N 470.356 5.453 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5ncccc45)CCC3)cc2)c1Cl 1790082672 KVWCWDMQTCISIB-UHFFFAOYSA-N 481.943 5.216 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccc(Cl)cc5[nH]4)CCC3)cc2)c1 1790144117 ZDGYEBQSTSXVIM-UHFFFAOYSA-N 457.921 5.083 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)(C)C)cc3)CCC2)cc1 1790511102 QCENQJHVBLRZRR-UHFFFAOYSA-N 478.589 5.121 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(Cl)cc4)CCC3)cc2)cc1 1790706301 YZMUAUZOZMRSQI-UHFFFAOYSA-N 457.961 5.396 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)cc2)CCC1 1790826219 JTRMXUISFFEWOH-FQEVSTJZSA-N 490.551 5.055 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Br)cc4c3)cc2)CCC1 1790868116 XRZQEZFVVUPBNZ-UHFFFAOYSA-N 476.374 5.158 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C4CCC(CC4)N3C(=O)OC(C)(C)C)CCC2)cc1 1791583827 JTDHZCMMHIIBMS-BNVTUTKDSA-N 493.648 5.102 30 20 JKED COc1cc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1792072284 QMPDNUCEBUGNHW-UHFFFAOYSA-N 471.532 5.086 30 20 JKED COc1ccc(F)cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1792109238 XXQJRBPTEGXEOB-GOSISDBHSA-N 471.532 5.523 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1 1792169807 MVFRUPUKMWQLRY-UHFFFAOYSA-N 478.486 5.575 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)c1 1792378121 LNZXNHYUIYZDMJ-CLYVBNDRSA-N 463.528 5.807 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c(Cl)c1 1797872287 AATJTLLGVJMIOG-VMQUQCCTSA-N 454.014 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc([C@H](C)C(F)(F)F)cc1)C2 1798337856 JPSMSVBFVDPZIY-GBCNUAAFSA-N 462.556 5.302 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(Cl)c1 1800382211 NTRJADAWSYHENH-XMTFNYHQSA-N 465.819 5.123 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sc4ccccc4c2Cl)C3)c(Cl)c1 1800690476 MLLRLWNXVKENSO-MUJYYYPQSA-N 484.408 5.645 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1802499063 ZXZHHQKYNXQXPB-RDGATRHJSA-N 468.041 5.366 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1803558500 RQKYVHKIKZDHGR-PWUYWRBVSA-N 499.611 5.176 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@@H]2c2cccnc2)C1 1808489390 LBWQLGFWNZGVIH-NLFFAJNJSA-N 475.976 5.281 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1808743223 NEMFAKWRGZWCCM-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@H]1c1cccnc1 1808834852 XRTIKAIUHUYMSZ-BWLQLKEOSA-N 498.627 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1809306694 UINNRADRAJSXRN-SLQPCKNISA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810171862 HRQFKFPGGBBUQQ-RJSMDTJLSA-N 469.676 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1810505507 WYBXROLHAHFBGM-PGRDOPGGSA-N 474.432 5.700 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@H]1c1cccnc1 1811367352 IUAXMWBXDWNZIQ-KSFYIVLOSA-N 495.904 5.016 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1812229948 BOUMMQLMUWIOQY-BVAGGSTKSA-N 487.676 5.199 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1813863301 IJRCDYLKJWJYRN-YPAAYVHUSA-N 487.003 5.304 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)c1 1813865589 GYRKTTDYKPROBS-MHJCBHRRSA-N 498.671 5.635 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C)c4ccccc34)[C@@H]2c2cccnc2)C1 1814300585 TUTTYOLWKCXWJC-OUTSHDOLSA-N 467.613 5.148 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)[nH]n1 1814441684 DYJHZTUMONVEBO-OAQYLSRUSA-N 462.598 5.078 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@@H](S)C(C)C)n[nH]3)cc2n1 1815244353 XHRXCNGQOYTPBI-IRLDBZIGSA-N 486.041 5.180 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccccc3)n[nH]2)cc1C#N 1816965844 FFJAUCOWZMARKH-PSVMIJIFSA-N 483.572 5.088 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817739925 DYGAXIWOQOANQB-DVECYGJZSA-N 457.578 5.298 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(-c3cccnc3)n2)n[nH]1 1818148440 SAKUZHDDERRMAE-NRFANRHFSA-N 476.606 5.003 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165416 UPNXQGXDULUYRB-JXFKEZNVSA-N 466.969 5.841 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593060 WKMZFAQKHDUGSJ-JTSKRJEESA-N 465.985 5.619 30 20 JKED Cc1ccc(SCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)CC3)cc1 1818616569 FEERZSOQCRFPMI-YLJYHZDGSA-N 490.654 5.097 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3s2)n[nH]1 1819075691 VAHMANKKJDCHHX-INIZCTEOSA-N 473.396 5.269 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)[nH]n1 1819307014 LVWDNUCWRBHGQX-RHSMWYFYSA-N 462.381 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1819309071 LPZCJCDSQUWIKA-OFNKIYASSA-N 477.996 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)[nH]n1 1819554196 KDFIMWJVDOWAMR-NRFANRHFSA-N 464.610 5.422 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)c1 1819965637 GCRNITXTAWNCAV-MRXNPFEDSA-N 474.373 5.269 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)n[nH]1 1820226010 VPIIWQQHXIRXRT-JOCHJYFZSA-N 496.970 5.760 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(O)c2)n[nH]1 1821128349 DXMALCFEDNMOAT-GOSISDBHSA-N 489.414 5.176 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3OC(F)F)[nH]n2)c(Cl)c1 1821279127 YURGGNYXWFTCKF-IBGZPJMESA-N 499.905 5.156 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)Sc3cccs3)[nH]n2)c1 1821324592 AWJQTZFKANUXCQ-JXFKEZNVSA-N 479.631 5.138 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4c3oc3ccccc34)n[nH]2)CCC1 1821611911 NGCVEOQFTODTLD-OAQYLSRUSA-N 467.529 5.309 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1824541711 JHTFLZGIWIFVKZ-PMACEKPBSA-N 496.599 5.055 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)CC1 1824779164 JEEGCSWVEDDNFW-BDYUSTAISA-N 459.634 5.165 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c(C)o1 1825880864 IYJHFCZRJNBBCT-VWLOTQADSA-N 477.605 5.102 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 1825947713 UATWPYIJGHKVBU-RUZDIDTESA-N 475.633 5.233 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533720 OMULIGNLCFFWJM-OPAMFIHVSA-N 489.479 5.154 30 20 JKED O=C(CCCC(F)(F)F)N[C@@H]1CCc2nc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)sc2C1 1827860214 SVXUIEMLAZCWKT-LLVKDONJSA-N 497.436 5.259 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828167897 JMTMURNVEPSXFE-VWLOTQADSA-N 479.690 5.058 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828222113 UJPDTNAPQHHINJ-MHZLTWQESA-N 475.633 5.245 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828254486 ARVAEBJVMHZDDY-HXUWFJFHSA-N 461.578 5.049 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1)c1ccc(Cl)cc1 1828998696 NQZPFPQCFZTTPM-PZEDFRCZSA-N 498.067 5.411 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccccc3n2)CC1)c1ccccc1 1829032906 SJMROHMEKOTPEM-ABYGYWHVSA-N 494.639 5.060 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829955377 PFUDQQYNZJVCLR-RUZDIDTESA-N 482.584 5.069 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c1 1830910596 KCWZBKQAEOHLTG-FQRUVTKNSA-N 469.585 5.607 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1 1831198833 GMUSLHKEGUVGSY-AFDBTRFSSA-N 499.655 5.223 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 1832031907 ZAGUPSNRHQVHDY-QFIPXVFZSA-N 493.873 5.529 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832629279 PEEYGMBKKKUZRX-XMMPIXPASA-N 467.972 5.206 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)c1 1832632165 LPJQZGGBFPKRML-DYESRHJHSA-N 453.970 5.107 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1 1832633723 MYTWAZALQFYMSP-RBTNQOKQSA-N 495.627 5.251 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832689457 OEHODXVZJINQDN-OSPHWJPCSA-N 499.989 5.792 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1)NC(=O)OC(C)(C)C 1832754024 QQZPYQZGKWTFBO-DQEYMECFSA-N 497.680 5.088 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(F)ccc3F)CC2)c1 1832779255 CEZCPGQOFHMUTF-AFMDSPMNSA-N 479.571 5.068 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)c1ccc(F)c(F)c1CSc1ccccc1)C2 1841626500 SAQYLCJXOASMIN-QFIPXVFZSA-N 490.641 5.029 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)C2)c1 1844636475 VBZFTDODEKTMEG-LJQANCHMSA-N 478.552 5.186 30 20 JKED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)C1)c1ccccc1 1845671666 VLDHDPNTEQKTPD-XMMPIXPASA-N 491.591 5.442 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc([C@H](C)C#N)c1)c1ccc(Cl)cc1 1847627257 CHSGHOCAARYUAM-DNQHQPOYSA-N 464.009 5.222 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCC(=O)N[C@](C)(C#N)C2CC2)cc1 9456938 JPRZCAUTONUGKT-UMKNAPPCSA-N 486.641 5.404 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 10212741 VIMOBJOSPGHIGA-UHFFFAOYSA-N 463.925 5.329 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2c(F)cc(F)cc2Br)n1 10686472 BGBUUMMPUOLWDZ-UHFFFAOYSA-N 466.229 5.052 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(Cl)cc1Cl 10836452 XQNKWKBIEWICRT-UHFFFAOYSA-O 470.854 6.609 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc(Cl)c2C)cc1 11256654 JWEWUUTVCAZNRO-UHFFFAOYSA-O 454.959 5.457 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C(C)C)C(C)C)nnc1-c1ccc(Br)cc1 16832759 ASQYWLVVLFCFNS-OAHLLOKOSA-N 451.434 5.020 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)n1 17177190 KZJUGOXKAFREBY-KRWDZBQOSA-N 491.421 6.084 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nnc1-c1cccnc1 18405612 LVVDHYMOIYOOQP-UHFFFAOYSA-N 483.022 5.613 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1OC 21334410 SPTHESNWCUKXQR-UHFFFAOYSA-N 495.004 5.462 30 20 JKED CCCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nc2sc3c(c2c1=O)CCC3 22354066 LNGXTZYFZGNPHM-UHFFFAOYSA-N 487.050 5.049 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)s1 22695570 JICXWMLSQIRZAX-UHFFFAOYSA-O 471.671 6.603 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)cc1 25838177 AVJMLCBNNJHCIB-UHFFFAOYSA-N 488.396 5.848 30 20 JKED CC(C)CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc2c1=O 26013425 SIPPZVYXIDEJQR-FQEVSTJZSA-N 488.638 5.535 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(Br)cc1 26040559 PUVPPVLTRYBWLV-GFCCVEGCSA-N 474.409 5.858 30 20 JKED N#C[C@H](C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 27444837 RFERTRSIKWHWQH-LJQANCHMSA-N 457.584 5.237 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C)n2)c1 28194402 IRKWNFJLRZBXOO-UHFFFAOYSA-N 476.385 5.330 30 20 JKED C=CCn1c(SCC(=O)NCCc2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 32484341 GNWLXMGGEUWADW-UHFFFAOYSA-N 465.381 5.028 30 20 JKED C=CCn1c(SCCn2cncn2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 60373067 RRVJMVUOUZWZCI-UHFFFAOYSA-N 453.575 5.039 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1nc(-c2ccc(OCC)cc2)no1 68814888 PJFALKJKHMVSHS-UHFFFAOYSA-N 488.357 5.184 30 20 JKED N#Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1Cl 104694728 OZYNZTVRGGHUMQ-UHFFFAOYSA-N 480.033 5.641 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 209009158 ZXUQJUAQQCUNCV-QINSGFPZSA-N 455.495 5.043 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nc(O)c2c(C)c(C)sc2n1 255930844 OOZOSJMGNBLHDQ-CQSZACIVSA-N 488.038 5.877 30 20 JKED N#C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1cccc(Cl)c1Cl 303425194 ZKKCXMSOZHGSNL-SFHVURJKSA-N 498.395 5.366 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 480727467 BOUDZVRUJDLSLW-OAQYLSRUSA-N 454.574 5.739 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccc(Cl)cc1 486534628 MJDUAYMTIURGMC-INIZCTEOSA-N 469.010 5.743 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)cc1 498359912 NCRXMRSTIIPEDF-UHFFFAOYSA-N 488.487 5.827 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501708309 QZLACATVHMJBRF-UHFFFAOYSA-N 483.355 5.319 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C(=O)OC(C)(C)C)n(-c4ccccc4)n3)n2)cc1 503584402 FNQFHORZBJRUDU-HXUWFJFHSA-N 484.581 5.750 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1OC 507793435 VYHQWGITXGWVTO-UHFFFAOYSA-N 473.396 5.023 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)cc1Cl 510006900 RNQVWHYVUZQSFA-HSZRJFAPSA-N 461.974 6.884 30 20 JKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 510923607 ZIXZCKFTRBZOJB-UHFFFAOYSA-N 468.601 5.040 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cs2)cc1 513693010 YROKTRYCFPCIJG-KRWDZBQOSA-N 474.611 6.013 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 514297966 OBSTXILEIDDIAF-AWEZNQCLSA-N 459.612 5.011 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 514768791 WJJLLVVPFILRQX-UHFFFAOYSA-N 473.989 5.639 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)NC1(C#N)CCCCC1 515488610 FAMIFSJYVRDIFA-WOJBJXKFSA-N 459.619 5.378 30 20 JKED C[C@@H](Nc1ccc(NC(=O)CN2CCCCCC2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 515758621 DWUAIVHXILQGIP-LJQANCHMSA-N 493.677 5.142 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)c2)cc1 515940644 NNRSEWDBOJTQLO-NDEPHWFRSA-N 493.538 5.315 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(O[C@@H](C)c4ccccc4)nc3)n2)cc1 516714111 QCLXWTHFYCWTOS-JTSKRJEESA-N 455.539 5.844 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)ccc2c1 518129184 IBXIGMJAHMPPRG-UHFFFAOYSA-N 493.563 5.091 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1Oc1ccc(F)cc1 518259935 UGFIZXPZDGVMSS-SFHVURJKSA-N 477.561 5.576 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 519885455 WJPCDWLHRNQQBX-UHFFFAOYSA-N 482.005 5.311 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)Cc2cccc(Br)c2)cc1 519913980 YJSWKSCDRNYUSI-UHFFFAOYSA-N 456.384 5.317 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OC1CCCC1 520931936 SPEHKZBWINNYMT-IBGZPJMESA-N 499.567 5.496 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2F)c1 524450475 HHLORTZZSCVNPM-UHFFFAOYSA-N 450.413 5.096 30 20 JKED COc1ccc(/C=C2/CCn3c2nc2sc(C)c(-c4ccccc4)c2c3=O)cc1OCCCC#N 551625141 CHBDUOBOENZGNN-PGMHBOJBSA-N 483.593 6.069 30 20 JKED C=C(C)COc1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)c1 589739926 BYDYEBZPKSCGBK-VWLOTQADSA-N 464.587 5.900 30 20 JKED C[C@H](SCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 603758694 BHCBDEZAWORUHD-JXFKEZNVSA-N 460.990 6.305 30 20 JKED COc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(OC)c1Br 604003515 DCCSPJLMMNUNRL-UHFFFAOYSA-N 481.346 5.364 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3nncn3-c3cccc(Cl)c3)cc2)cc1 604458583 JFSROFXKBQPZLI-UHFFFAOYSA-N 461.934 5.315 30 20 JKED Cn1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnc1-c1cccs1 608847673 WSNYTCFPLKKFKB-SFHVURJKSA-N 480.018 5.583 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 608865198 GVVRZZPVHHHYIL-NRFANRHFSA-N 459.468 5.080 30 20 JKED CCOC(=O)c1cnn(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)c1C(F)(F)F 608914913 FVCIGCZLRICEJG-UHFFFAOYSA-N 499.493 5.382 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 609089084 NYVVBFPGSHHYTJ-NAKRPHOHSA-N 497.595 5.011 30 20 JKED Cc1ccc([C@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2ccc(F)cc2Cl)cc1 609374226 KSJXDPCFJNUTIX-VWLOTQADSA-N 452.961 5.353 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 609403486 AABBOCGRYAXAQQ-QVKFZJNVSA-N 470.019 5.498 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SCc4cn5ccccc5n4)cc3)n2)cc1 613317977 BFKUUXNIQMTZMC-QHCPKHFHSA-N 480.618 6.549 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc12 613392494 QEHKZMLMNAKMDV-IBGZPJMESA-N 458.543 6.148 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nc(N)c2c(C)c(C)sc2n1 669007274 RXFRKNINRDDWKF-AWEZNQCLSA-N 470.599 5.239 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 726396615 FUSHNFDJZRRDQC-HXPMCKFVSA-N 499.942 5.143 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C[C@H]3CCCO3)C2=O)c1 726416448 WMBJJHSWDFHCGO-ISKFKSNPSA-N 495.645 5.230 30 20 JKED Cc1cc(C(=O)Nc2ncccc2OCCCC#N)c(C)n1-c1cccc(Br)c1 726958123 RNAURRVXRBDUKY-UHFFFAOYSA-N 453.340 5.187 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)Cc1ccco1)c1cccs1 728429003 DUUCXKCPSZDUAM-RBXFYPBBSA-N 492.626 5.234 30 20 JKED Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccc(O[C@@H](C)C#N)cc4)nc(O)c23)s1 728699641 GYFFVRPSIKJKDJ-UWONZBIMSA-N 453.976 6.462 30 20 JKED N#Cc1cn(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c2ccc(Br)cc2c1=O 728704412 GYYOTNIVGJFGIR-UHFFFAOYSA-N 485.552 5.235 30 20 JKED Cc1ccccc1-n1c(C)cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c1C 728704423 HBIBYHRCHXLDSI-UHFFFAOYSA-N 474.358 5.235 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N 728778477 CSABHWKNPQAGFV-OAQYLSRUSA-N 469.010 5.557 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)cc1C 730441157 ANXYBMMFHIYHGJ-HSZRJFAPSA-N 494.592 5.250 30 20 JKED COc1c(F)cc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 730766021 JZLIVODSVKXHLE-UHFFFAOYSA-N 477.311 5.062 30 20 JKED CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(Cl)cc1Cl 730936195 BLJQNLDOQYPOHV-CYBMUJFWSA-N 485.437 5.141 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(Br)c2)CC1 731069056 FDKLXEMHZLPIBR-OAHLLOKOSA-N 473.392 5.057 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cc(Br)ccc2n1 731076407 CFWRZROICZBNJZ-HNNXBMFYSA-N 498.402 5.496 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@@H]1C 731076866 CDKPDUOKIYFXKT-OALUTQOASA-N 489.597 5.278 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)s2)cc1F 731312054 JITBOYCOIZATKQ-NRFANRHFSA-N 499.589 5.070 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731313266 VPAKZSYFBGSCGO-QHCPKHFHSA-N 472.570 5.200 30 20 JKED C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 731399800 FUWVTINSEHOXNC-GOSISDBHSA-N 464.566 5.508 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 743525651 RKFXPNJESZXUQI-HXUWFJFHSA-N 471.554 5.495 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CCCc2ccc(Br)s2)c2ccccc21 753884095 JJIISLWLXDEXCT-UHFFFAOYSA-N 459.365 5.128 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(F)(F)F)c1 799215142 LDBWQVPYTURHRS-HXUWFJFHSA-N 471.504 5.671 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)N(CCC#N)c3ccc(C)c(C)c3)c3c(C)noc3n2)c(C)o1 813327077 DKOGBGBVDIQGDJ-UHFFFAOYSA-N 486.528 5.129 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 837302306 ZRYQFZDPIUOKSN-IQGLISFBSA-N 498.583 6.095 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CCc2cccs2)C1=O 837832858 QXYOINLAAUCKIJ-QFIPXVFZSA-N 479.627 5.268 30 20 JKED CCOCCOc1ccc(Br)cc1NCc1cc(C#N)ccc1Br 864022293 NCCIDWFCJXWOSD-UHFFFAOYSA-N 454.162 5.111 30 20 JKED C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)c1nc(-c2ccccc2)cs1 895494681 NYFLNXRYWOOUQA-UHFFFAOYSA-N 490.050 5.373 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1F 914692132 VLDHCLCHQSHJOC-IIBYNOLFSA-N 451.523 5.010 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 915353842 QTSWUOJYFZVXEE-HSZRJFAPSA-N 493.394 5.639 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 916559476 YHJWSFFGISTNCS-UHFFFAOYSA-N 497.857 5.359 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 916692391 CWXFJBJJIWHYKN-KNQUJZAFSA-N 497.020 5.064 30 20 JKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847816 WMKJBNLZAMFUJZ-FQEVSTJZSA-N 469.566 5.258 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916927920 FQDVZCZNZMCHMT-KRWDZBQOSA-N 473.385 5.236 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1OC 916935395 PWUNHBKDMDMNGA-GOSISDBHSA-N 494.960 5.027 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916936286 GLOXSLPVLBSVTG-MRXNPFEDSA-N 488.258 5.794 30 20 JKED N#C[C@H](C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917042943 IGZGMNOQZRAQSB-HRCADAONSA-N 483.540 6.851 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043706 NVNVWOPASYCULG-MRXNPFEDSA-N 488.516 5.478 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1=S 917075711 UUKFWYSVDNLNFR-UHFFFAOYSA-N 493.640 5.604 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 917173330 DEAPRDREAPMFHV-UHFFFAOYSA-N 494.671 5.024 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc3ccccc23)n1 917652565 NHXNFFNALXNKDL-RUZDIDTESA-N 498.583 5.843 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C#N 917702604 GWTKGVABDIGIMG-RUZDIDTESA-N 498.608 5.174 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2c[nH]c3cc(Cl)ccc23)cs1)c1ccc(F)cc1F 920068104 IIPZIURKZGXBGX-QPJJXVBHSA-N 457.889 6.137 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(OC)c1OCc1ccccc1 920105760 LQWCMLRTKQVOKA-NRFANRHFSA-N 468.509 5.278 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 920111591 OAOGDQCHBWINMP-MGPUTAFESA-N 454.452 5.366 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)n2)cc1 920143222 OBORBPLXJJJQCO-GOSISDBHSA-N 498.391 6.590 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c1 920354271 BRCNLJPTGLHZQU-QFIPXVFZSA-N 480.565 5.208 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CCO2)C1 1778883476 LCBFTVNDPKQSRM-PIKZIKFNSA-N 489.641 5.108 30 20 JKED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCCCCCCCc3ccccc3)C2)CCC1 1783207875 BACJUCKSRVYKSX-PDDLMNHVSA-N 493.692 5.168 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cn3)cc2)CCC1 1786876769 XHXSVWJLZVJPPE-UHFFFAOYSA-N 481.465 5.379 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Br)cc4)CCCC3)cc2)CCC1 1789183060 AFASHELBOWNAGX-UHFFFAOYSA-N 494.433 5.699 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])CCC2)cc1 1789455960 HARCXBSNQAFPPP-QHCPKHFHSA-N 477.561 5.048 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789934593 LELLOSJFGMURGR-FDAWAROLSA-N 478.552 5.208 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(ccc5ncccc54)s3)cc2)CCC1 1789998855 VZKKABNTFQZKNT-UHFFFAOYSA-N 453.567 5.611 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)cc2)CCC1 1790125627 XJNUNGHRJROHBS-BUHFOSPRSA-N 496.592 5.325 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1790566973 GGZXUXWDSWXIAL-MRXNPFEDSA-N 466.969 5.370 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2)CCC1 1791200322 SYPQFLKSGDWXSL-CECLQJIQSA-N 478.589 5.072 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)CCC2)cc1 1791728883 PWVKRKNJXOBBHO-SFQUDFHCSA-N 480.612 5.272 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](O)c4ccccc4Cl)cc3)CCC2)c1 1791748025 YJJLOCPRUXOSNQ-AVRWGWEMSA-N 487.987 5.448 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)C#N)c1ccc(OCc2ccccc2)cc1 1792710967 SRNJUSZCXLKTQQ-SFIUMABJSA-N 487.644 5.193 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2c1 1798135119 NWYFEWRRGMYYJW-WKCHPHFGSA-N 467.407 5.048 30 20 JKED Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)ccc1Br 1798420697 OFMXMXQADKQGJD-WKCHPHFGSA-N 489.530 5.060 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccnc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1802493376 XOASLNAVBPPYCW-LADGPHEKSA-N 462.638 5.086 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(C)C)cc2)C3)cc1C#N 1803842574 IPHAZFCDDIEZIN-QEIWAGNOSA-N 459.590 5.034 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)C1 1805457538 CZIKYWUNACDXFM-UHFFFAOYSA-N 452.639 5.477 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1808523520 BZLIGDNOFNNJGF-UOTZPRLLSA-N 479.741 5.275 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808825935 JLWYCQJCCFVAKX-ISKFKSNPSA-N 488.657 5.517 30 20 JKED C=CC[C@@H](CC(=O)N1CCC2(CCCN(C(=O)CCC3CCCC3)C2)CC1)NC(=O)OC(C)(C)C 1808954382 SDAXJJSMZXMLGT-QHCPKHFHSA-N 489.701 5.048 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1809842872 RSCXTWNCIYKMJW-NBGIEHNGSA-N 477.605 5.523 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810719376 UVMFMICBMGFETN-IRPSRAIASA-N 499.611 5.176 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811270691 DCJNPCLDNDPBCW-XCZPVHLTSA-N 498.671 5.801 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811436871 YMASCGMMKOBVRL-BPYKYCOYSA-N 477.992 5.569 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811439862 YJALNWOUOGRDTF-WNCULLNHSA-N 489.616 5.127 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c(Cl)c1 1811748769 AYZPSHOOGUBKNF-FDDCHVKYSA-N 497.357 5.033 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccccc4)CCCC3)[C@H]2c2cccnc2)c1 1811923392 COIGIBZHWLPGSC-NAKRPHOHSA-N 492.623 5.093 30 20 JKED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1813042777 LDAHJCWLKDEVFR-VAXXYWNWSA-N 481.706 5.315 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)[nH]n1 1814829084 KQHDPQXIBZJGBR-XMMPIXPASA-N 457.578 5.341 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2ccc(C(F)(F)F)cc2)n[nH]1 1815150074 FCQPDUXUUGDILY-DYESRHJHSA-N 492.542 5.035 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cccc(C)c4[nH]3)[nH]n2)c(O)n1 1816241748 UDVWTDBZCRLPGS-QHCPKHFHSA-N 498.587 5.038 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679414 TYFBXECURYHEJB-GUYCJALGSA-N 457.987 5.191 30 20 JKED CC1(C)CCc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)[nH]n3)c2O1 1817941179 NLZAYJIFQKKJEX-HSZRJFAPSA-N 483.572 5.005 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1)c1ccc(O)cc1 1818809899 JMCFFCLHBIFMHR-WRALFONMSA-N 474.605 5.051 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)[nH]n1 1819306001 UTPIZOCEVNUWAI-QPPBQGQZSA-N 469.589 5.546 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386248 FDTLTHVHTZKTBI-JOCHJYFZSA-N 480.685 5.084 30 20 JKED COc1cc(C)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819386809 JUAGXJNEBUGORU-QHCPKHFHSA-N 480.685 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c(F)ccc(F)c2F)[nH]n1 1819553153 XJPBKRWDLYQBDE-LJQANCHMSA-N 462.516 5.054 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3Cl)[nH]n2)c1 1820484207 HXHADNWDGDVNIT-HXUWFJFHSA-N 499.905 5.156 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)[nH]n2)cc1 1820551133 FELWHYCVZPCZEW-XMMPIXPASA-N 489.535 5.800 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCCC)cc2)n[nH]1 1820640376 QJTWFUDMRHJLEQ-GMAHTHKFSA-N 450.583 5.273 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)ccc1F 1820913366 JBTFMUARLKLGCN-AREMUKBSSA-N 495.558 5.051 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)n1cccc1 1821276262 HLTJCHZTRZWQII-FGZHOGPDSA-N 478.984 5.084 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c(Cl)c1 1821280638 WPADKQZDPUQUMN-QHCPKHFHSA-N 473.964 5.432 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]n2)cc(C(F)(F)F)c1 1821309783 BFDPAHBUNUSVNV-FQEVSTJZSA-N 485.441 5.059 30 20 JKED COc1cc(C)c(C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1821343192 DCDOONZSFYORRG-DVECYGJZSA-N 485.588 5.282 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)n[nH]1 1821868578 DBKKDMNPUNNIKS-GCJKJVERSA-N 485.028 5.016 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)[nH]n1 1821927291 AWCRVPKHXHVZMO-JCECQIOLSA-N 477.428 5.151 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1)C(F)(F)F 1821993758 LVQVPYJAQNSJTO-GOSISDBHSA-N 477.874 5.036 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC#N)[nH]n1)c1ccc(OCc2ccccc2)cc1 1822253387 HGIBZMKVPFDYAE-LSYYVWMOSA-N 499.615 5.334 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@H](C)S)n[nH]3)ccc21 1822384679 OWMOAZJKHPKANQ-HJPURHCSSA-N 475.618 5.162 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)n[nH]1 1822610053 GAYNLPZUYRLEAA-RPWUZVMVSA-N 477.653 5.059 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc4ccc(Br)cc34)CC2)C1 1823702316 YZZKPGSTFSQVIX-DEOSSOPVSA-N 496.449 5.197 30 20 JKED Cc1ccc(CSCCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1 1824545180 UYXHZYODCZCXEZ-ZCYQVOJMSA-N 476.752 5.192 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1825202016 HGXCOOQQXMVAKN-AREMUKBSSA-N 477.674 5.113 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1826397249 YPVGROFZYUPJEB-GDLZYMKVSA-N 479.624 5.116 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330964 KSZALEAWJYNYPF-HHHXNRCGSA-N 457.618 5.094 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)c2[nH]1 1828215453 USSMSLXBZBZZCY-RUZDIDTESA-N 489.019 5.549 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)CC2)c1Cl 1828319401 XHTUIMMUAJBXBB-QHCPKHFHSA-N 474.992 5.240 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828498387 VBEZBEPLUCDFST-CLOONOSVSA-N 499.055 5.231 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)c(F)c2)CC1 1828825044 RULCJWNQXDAEDK-XUZZJYLKSA-N 461.021 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccccc3F)CC2)CC1 1828829978 OOYNUIVYQWQGOJ-RDGATRHJSA-N 452.614 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](C)Oc2ccccc2)CC1 1829071340 UCBRKVSLMRFKTL-WIOPSUGQSA-N 454.655 5.456 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2OC(F)(F)F)CC1)C(F)(F)F 1829674551 PHVIONVOUWSARI-QGZVFWFLSA-N 496.423 5.076 30 20 JKED COc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1C 1829693015 SMTAFRQOMIGJJE-XMMPIXPASA-N 494.035 5.005 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(CCCCC)cc2)CC1 1830347686 DTSDFARNMIKTNZ-MHZLTWQESA-N 496.692 5.091 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830631672 LXXZMONBINUKGE-URLMMPGGSA-N 481.640 5.183 30 20 JKED CCC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)n1cccc1 1830721322 GUSBCMDTVYLRGU-DQEYMECFSA-N 481.040 5.288 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1)c1ccccn1 1830755940 PXYBJIYTJSXVEL-MHECFPHRSA-N 498.549 5.009 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1830790551 CXIPPMQQJWUJOD-XMMPIXPASA-N 473.608 5.033 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)CC1 1830926313 KHRCLHTWVPEXCO-FQEVSTJZSA-N 492.845 5.393 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1 1832023800 JUKSYGOPRBEVFX-PSRPIYIESA-N 469.629 5.351 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3occc3Br)CC2)c1 1832630390 HQPRPKZQHQGVQG-HTAPYJJXSA-N 498.421 5.216 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc12 1832632836 WQPZSWRACBBNGP-LYZGTLIUSA-N 482.628 5.651 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(Cl)c1 1832635881 XOFLIDMROATMIN-BCHFMIIMSA-N 494.035 5.523 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)c1 1832719050 FZGKZHJWRGWANR-FQEVSTJZSA-N 493.822 5.394 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CCC1 1832787991 JETCJMMMDAVNSV-QHCPKHFHSA-N 468.041 5.075 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1832827977 KCCMRYBCDMFHMN-JOCHJYFZSA-N 479.448 5.427 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)S)CC2)c2ccccc12 1832998344 JTQHHKDTUSSWDS-NLFFAJNJSA-N 452.664 5.019 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 1836268887 TVTHISJUUBPTNX-UHFFFAOYSA-N 480.480 5.171 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CCc3ccccc3Cl)CC2)CC1 1837750577 XXJISWMAEXGYBK-DEOSSOPVSA-N 473.057 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1838277212 QDWKSGGHHOYRAW-JWQCQUIFSA-N 487.084 5.435 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C1 1846266554 PEHLYVGJSHKQKB-UHFFFAOYSA-N 497.639 5.261 30 20 JKED CCc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2CC(C)C)cc1 10301058 NEUWZWJXBQXFGK-SFHVURJKSA-N 463.607 5.066 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2Cl)cc1 11022280 STKMGFBFKBLNCS-INIZCTEOSA-N 489.988 5.587 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3C2)nc2sc(-c3ccccc3)cc2c1=O 11153214 ZIHVCMMYFBIYTE-UHFFFAOYSA-N 479.652 5.050 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)ccc2F)c1 15317155 SXMRWCWZSHSYSG-UHFFFAOYSA-N 488.968 5.430 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2sc(-c3ccccc3)cc2c1=O 20047656 XJWDTTDUUNCQOT-MRXNPFEDSA-N 472.595 6.214 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2)nnc1-c1ccc(Br)cc1 21339560 FUEFPRORVLGNSG-INIZCTEOSA-N 471.424 5.205 30 20 JKED C=CCN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1nc(-c2ccccc2)cs1 21346298 JURUJHFOBFWVEU-UHFFFAOYSA-N 456.571 5.079 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1-c1ccc(C)cc1 21456289 WHYZJVACLLVSAG-SFHVURJKSA-N 469.570 5.242 30 20 JKED COc1cc2c(cc1NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N)oc1ccccc12 21514712 IVBCSHWLQISBIB-UHFFFAOYSA-N 471.460 5.919 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2cccc(OC)c2)nc2scc(-c3cccs3)c2c1=O 21953606 VQPQAKOIXHTNCV-OAHLLOKOSA-N 497.667 5.178 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c(C)s1 22731104 BKWXGHDIRKCORC-UHFFFAOYSA-O 452.408 5.716 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)cc2)C[C@H](C)O1 58761011 LFBLBGUCNIQHQH-SFTDATJTSA-N 471.626 5.249 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 255335012 IGGLLVALZQNOBJ-NRFANRHFSA-N 469.513 5.281 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(-c2ccccc2)cs1 303311090 OWRQXVLQUVUNMX-IBGZPJMESA-N 468.582 6.338 30 20 JKED C=CCN(C(=O)CSCc1ccc(Cl)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491057740 MHPFJQUEFSQGNT-UHFFFAOYSA-N 493.075 5.319 30 20 JKED Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)s1 497346374 ZDVXWLQCEREHPA-UHFFFAOYSA-N 466.628 5.019 30 20 JKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(OC(F)F)cc1OC(F)F 498629423 HZZIDJJXDPKPIL-UHFFFAOYSA-N 494.388 6.213 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c3c2CCC3)c(F)c1 499574661 NTIXUFKAIHCTMZ-IBGZPJMESA-N 467.529 5.294 30 20 JKED CCc1cc(O)nc(-c2cccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)n1 500341054 FPZTVWBAIPXQGR-UHFFFAOYSA-N 450.498 5.115 30 20 JKED CC(C)CCN(CCC#N)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 505179746 LRFFSGYZVIRSNL-UHFFFAOYSA-N 468.406 5.196 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)cc1 505698440 WZNDTAPPYHEFLX-UHFFFAOYSA-N 459.571 5.160 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cs1 509681671 NEFJBFHDLZCCLX-UHFFFAOYSA-N 457.580 6.660 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1Cl 510023278 LQTAHYDDGWBFQE-RUZDIDTESA-N 476.983 5.874 30 20 JKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(OC(F)F)cc1 510162660 XNOLKRQWOXXJQJ-LBPRGKRZSA-N 461.519 5.186 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C(F)(F)F)c1 511297994 ZZLGNDDBIPQSDO-UHFFFAOYSA-N 479.867 5.284 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4ccc(Cl)s4)n3)s2)cc1 512792703 MWDKJEXDVVVVGH-UHFFFAOYSA-N 457.005 5.625 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cn5ccccc5n4)c3)n2)cc1 516270450 ZDOSQIIMIBSAGJ-HSZRJFAPSA-N 480.549 5.535 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccccc4OC)o3)n2)cc1 517801036 WCKVAFZOQIHMBW-IBGZPJMESA-N 460.511 5.489 30 20 JKED CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(OCCCC#N)c3)c2)cc1 518062327 XWZFIZAMANDVRS-UHFFFAOYSA-N 493.585 5.129 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 518130304 PTPMSPBYRGGGNG-KRWDZBQOSA-N 481.647 6.168 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)n2)ccc1F 518148035 NFGREKYPXAJJEP-UHFFFAOYSA-N 478.471 5.780 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc(-c2c(F)cccc2F)cs1 518260542 LSTLDXVJOWQMKO-ZDUSSCGKSA-N 481.505 5.473 30 20 JKED C=CCN(C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 518744198 FVDOVYBVHMOTPT-OAQYLSRUSA-N 465.557 5.068 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 520078259 MBKVDRXPSBFMPR-UHFFFAOYSA-N 493.604 5.071 30 20 JKED COc1ccc(CN2CCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 520356422 UXNZKUJQWKVRNP-UHFFFAOYSA-N 471.626 5.207 30 20 JKED Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1NC(=O)CN1CCCCC1 521392536 WDNWMYLUTCWJIF-UHFFFAOYSA-N 484.625 5.695 30 20 JKED CCc1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C2CC2)cc1 523636222 LAIAFFWNZCRYCZ-UHFFFAOYSA-N 469.541 5.051 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c3c(C)noc3n2)c(C)s1 524381889 ZPOSUVNXFJZSNE-UHFFFAOYSA-N 454.458 5.602 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccccc2F)n1 555063319 TXMPZZLJOICGID-OAHLLOKOSA-N 480.542 5.987 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCN3CCC[C@@H]3c3nc4ccccc4s3)c2C#N)C1 561199675 QNYYYNPAYMZVHV-HNAYVOBHSA-N 450.633 5.520 30 20 JKED CC(C)[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc2c(c1)OCCO2 578789317 MIUCFOBEMUMZPM-HHHXNRCGSA-N 473.548 5.578 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)nc2ccccc21 587988754 NLQIVJRRSWCFIZ-IBGZPJMESA-N 455.514 6.241 30 20 JKED CC(C)(CNC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589225830 XLGOSOABLUOWDD-ZIAGYGMSSA-N 464.372 5.755 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2nc3ccccc3n2C(F)F)cc1OCC 589841978 AMBFBSMOUQVSMD-CQSZACIVSA-N 480.353 6.008 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 603521341 IAQAVNJKWAHFAZ-UHFFFAOYSA-N 459.493 5.298 30 20 JKED CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)nnc1-c1ccc(Cl)cc1Cl 603527403 MPTSEFQSFCVRJJ-UHFFFAOYSA-N 488.444 5.673 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 603638632 YVWLCNWOSXIOBA-UHFFFAOYSA-N 497.576 5.215 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Br 603738940 KMZNSWDLBLKVID-CQSZACIVSA-N 470.298 5.362 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(O)nc4ccccc34)s2)c(C(F)(F)F)c1 603756858 DHEWBKYBPCCAKV-UHFFFAOYSA-N 454.433 5.130 30 20 JKED C[C@@H](c1ccccc1)n1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1 603917254 JFYBMWJGRLYQFX-ZWKOTPCHSA-N 499.665 6.096 30 20 JKED Cc1c(NC(=O)Nc2ccc(C#N)cc2)cccc1NC(=O)c1ccccc1I 604073611 WBXAXHAZNNHQKQ-UHFFFAOYSA-N 496.308 5.368 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)o1 608874364 DVKMSGHVDSHJNF-UHFFFAOYSA-N 472.888 5.283 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCC3(c4ccc(Cl)cc4)CC3)s2)cc1 608995050 YVMLGAAQEKQJFG-UHFFFAOYSA-N 455.996 5.209 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(Cl)cc1 609084738 CNSWFORDYUNPEN-QFIPXVFZSA-N 482.367 5.650 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 609139311 ZQPANVLOXIEXJR-HSZRJFAPSA-N 486.572 5.782 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 609402751 OSTZJJVOAHOKQY-QGZVFWFLSA-N 460.603 5.073 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609438595 QCENUPVCJJKUOE-MRXNPFEDSA-N 467.447 5.527 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c12 613404965 YCOPUXMVABRKGQ-INIZCTEOSA-N 464.520 5.853 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)o2)cc1 615004800 WIZFOFFTVZJRDC-UHFFFAOYSA-N 450.494 6.047 30 20 JKED O=C(N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 618301086 JOIXRNAPHTXEFY-GASCZTMLSA-N 461.368 6.107 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 619300182 MQRKTUDYGMGUKN-UHFFFAOYSA-N 463.990 5.181 30 20 JKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(OCC(F)(F)C(F)F)nc1 622589519 KYYSFMMAWUOLBJ-GOSISDBHSA-N 494.407 5.277 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)nnc1-c1ccccc1F 645077128 ALPXLBFPFDWWIM-KGLIPLIRSA-N 481.622 5.959 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726114583 XZQZVVFVMPUHTI-QRWLVFNGSA-N 485.610 5.134 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CC[C@H](C)OC)C1=O 726394083 SNEOPNRSRNJUDI-MHECFPHRSA-N 491.613 5.234 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(F)cc1 726398296 KNTDBSMMYPVBQH-ORAYPTAESA-N 481.952 5.004 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)c1 726413874 VJLPRMZQGNHSGW-HSZRJFAPSA-N 477.630 5.060 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 726475547 JZPUKBJHVLYFAX-OAQYLSRUSA-N 456.011 5.357 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1C 726571436 IUVZHCBQHMQPOZ-UHFFFAOYSA-O 477.053 6.737 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccc2F)cn1 726891071 MSKFWTHKFQSVIV-QFIPXVFZSA-N 492.576 5.007 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c1=S 727429542 RBPZXGHYZGOZOS-NRFANRHFSA-N 492.979 5.142 30 20 JKED C=CCn1c(SCC(=O)OCc2nc3cc(F)ccc3n2CC)nnc1-c1ccc(Cl)cc1 727502245 VCUFYUQFGPNEOD-UHFFFAOYSA-N 485.972 5.129 30 20 JKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 728063208 ZNUSDMICXKLARV-UXHICEINSA-N 473.573 5.141 30 20 JKED C#Cc1cccc(N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC=C)c3ccccc3Cl)c2)c1 728482423 MMXJMOKYSHROLR-UHFFFAOYSA-N 499.419 5.633 30 20 JKED CCn1c(/C(Cl)=C\c2ccc(O[C@H](C)C#N)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 728698782 OPMBMYOPXHTXSW-GNFOSXPUSA-N 499.036 5.259 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2nccn2CC(F)(F)F)C(=O)c2ccccc2)c(Cl)c1 728699201 ROECABDDGLATQX-ATVHPVEESA-N 461.871 5.621 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 728776752 UHDJGGAVGHDCHS-HSZRJFAPSA-N 456.571 5.494 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2c(c1)CCC2 728779557 JSNDZIUPXMZYOS-JOCHJYFZSA-N 482.556 5.108 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2CCCCC#N)c(Cl)c1 728780058 NBBXDARJSSTCOO-OAQYLSRUSA-N 494.020 5.483 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\Cc1cccc(C(F)(F)F)c1 728780677 WPWKNQYTGSSVQS-SYYSWTDVSA-N 488.535 5.228 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)cc1F 728780740 YBHYPHHHRWNWBA-HXUWFJFHSA-N 490.963 5.581 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3scnc3C)C2=O)cc1 729144785 FUDWLMNJGBJTSA-NRFANRHFSA-N 492.626 5.123 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ncccc2C)c1 729439666 FERVIZHLICEAMG-UHFFFAOYSA-N 490.412 5.008 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729572262 VSWOLRDXFCKSDF-LJQANCHMSA-N 450.539 5.119 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ncccc2C)C1=O 729634138 IQDACIMOEFRHGJ-JOCHJYFZSA-N 495.004 5.213 30 20 JKED O=C1/C(=C\c2ccc3ncccc3c2)CN(c2ccccn2)C/C1=C\c1ccc2ncccc2c1 730433076 BEYZDRSWYBZZSG-WTHRLWDASA-N 454.533 5.734 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)[n+]2ccccc2)C=C1 730439820 CARXQWAXHLYUNM-UHFFFAOYSA-O 482.585 5.060 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCC3)C2=O)c1 730461298 BCRFEVKVMAEXKI-OAQYLSRUSA-N 466.994 5.341 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(C2CCC2)C1=O 730461313 BJMUZQCSFRKCNR-HSZRJFAPSA-N 497.617 5.005 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3CC)N(Cc3cocn3)C2=O)cc1 730718863 RASBNQSBDBWEKV-QHCPKHFHSA-N 492.601 5.186 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730727188 NTDMQUFXLRRMIH-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@@H](C)c2cccnc2)C1=O 730942110 DYPBZLSSDCVZKB-AOMKIAJQSA-N 496.995 5.904 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1Cl 731106585 XYKDCKQKRVJWSK-AHWVRZQESA-N 477.967 6.112 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccc(F)c2)C1=O)Nc1cccc(O)c1 731304922 CCUCEYGUSYCILJ-OAQYLSRUSA-N 483.952 5.345 30 20 JKED CCCCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 746014655 HIHDIMOPUCOMLU-LCYFTJDESA-N 470.541 6.571 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCCOC3CCCC3)C2=O)cc1 747041667 AOCYWJFDKWYXLS-DEOSSOPVSA-N 493.629 5.199 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1cscn1 747602237 KCNGHTOVCIOOFH-OAQYLSRUSA-N 464.616 5.174 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)[C@H](C)c1c(C)noc1C 749786411 UFIJLDXQHSXSAW-VFNWGFHPSA-N 464.547 5.616 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1ccccc1 750402055 XDYMCBSEDRXNAK-LAUBAEHRSA-N 498.637 5.880 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2CC(F)(F)F)cc1 799221572 KXFWYMKUVZUMEZ-LJQANCHMSA-N 495.523 5.007 30 20 JKED C=CCn1c(SCc2nc(Cn3cnc4ccccc43)no2)nnc1-c1ccc(Cl)cc1Cl 904737958 QIPWVQMSKIKJSG-UHFFFAOYSA-N 498.399 5.511 30 20 JKED N#Cc1ccc(N2CC[C@H](c3nc(-c4cc(Br)cc(Br)c4)no3)C2)c(F)c1 904915673 OPTFMLYITOUGFJ-LBPRGKRZSA-N 492.146 5.266 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O)Nc1cccc(Cl)c1Cl 913100010 ZCKUVMMZNKVPJK-ZDUSSCGKSA-N 478.279 5.140 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915087971 FSRPWTUECDMLAY-ISKFKSNPSA-N 478.017 5.486 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCc2ccc(C)o2)C1=O 915110733 AUVJNTRIMUCBQK-JOCHJYFZSA-N 498.004 5.453 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 915359044 JTKSMKSTUOAMQN-LJAQVGFWSA-N 479.624 6.667 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC(F)F)cc1 916210209 CUFYXWFMMXDDQI-NRFANRHFSA-N 499.539 5.048 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccccn3)C2=O)c1 916211513 OXSRFUJTFXLJQW-QFIPXVFZSA-N 479.005 5.512 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C[C@H]2CCCO2)cc1 916211533 DCIAUSYVPUCDPF-VQIMIIECSA-N 492.428 5.441 30 20 JKED Cc1sc2ncn(N=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)c2c1C 916310667 CFORHYLZXFMGFM-UHFFFAOYSA-N 459.962 5.463 30 20 JKED FC(F)Oc1ccc(Br)cc1C=Nn1c(S)nnc1-c1cccc(Cl)c1 916344924 QGXCXNIWMXEHRN-UHFFFAOYSA-N 459.703 5.133 30 20 JKED COc1cc(C=Nn2c(S)nnc2SCc2ccccc2)ccc1OCc1ccccc1 916368277 AKFIPGRPPCJBPR-UHFFFAOYSA-N 462.600 5.329 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 916715443 QTMMDCBDUHUILD-XSMVLQQNSA-N 497.020 5.064 30 20 JKED COc1ccc2cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)ccc2c1 916887688 PVNSYQSRCQIPRQ-XUTHQZMASA-N 452.482 5.524 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 916901034 WSJCIFRORFQEJX-VQIMIIECSA-N 463.921 5.153 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916926147 SWKYKCKFBOTABX-PTZVLDCSSA-N 470.369 5.484 30 20 JKED N#C[C@H](C(=O)CCSc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 916928430 LACDGPAWVJUQRK-GFCCVEGCSA-N 450.372 5.433 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cs1 916944809 NPUZMPWWTVFPAS-LJQANCHMSA-N 460.342 5.299 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)n2)cc1 916975043 VILQBKLLPXTWLN-MOPGFXCFSA-N 498.435 6.154 30 20 JKED Cc1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1Cc1ccccc1 916977430 QHVQWKJVAPGJFX-LJQANCHMSA-N 480.018 5.380 30 20 JKED CCn1c(=O)n(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc21 916995141 BFIUJJNTNKDYBO-OAHLLOKOSA-N 471.369 5.130 30 20 JKED CC(C)n1cnnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995700 FZKBVNOLCARLLH-CYBMUJFWSA-N 452.392 5.258 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1 917504810 GXMMFOURZARLJL-LJQANCHMSA-N 481.599 5.071 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=S)Nc2ccccc2C(F)(F)F)cs1 917533776 QLPNHXSCGSVDLC-UHFFFAOYSA-N 481.500 5.306 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C(C)(C)C)CC1 917665304 WAPQYTZDDUJKGL-HSZRJFAPSA-N 478.662 5.218 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cccc(C)n3)C2=O)cc1 917676495 RLKYEBNPYKVPTI-QFIPXVFZSA-N 479.005 5.512 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F 917677260 ABAYFDMGCIETDC-NRFANRHFSA-N 496.495 5.034 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 917688886 XMNKIKRNRRZTAO-JLPGSUDCSA-N 482.414 5.273 30 20 JKED CC(C)c1ccc(C(=O)COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)c(C(C)C)c1 918023400 XHFFPNCUGQKFNX-UHFFFAOYSA-N 480.508 5.443 30 20 JKED COc1cc(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)ccc1OC(F)F 918712144 HNWDFOFALAURPT-VMPITWQZSA-N 451.878 5.882 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)c1ccccc1C(F)(F)F 918748415 YRBLWOMMKWDTJV-SFHVURJKSA-N 469.916 5.541 30 20 JKED C#CCN1CCC(C(=O)NC[C@@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 919964148 QHRNKPFRRSLZEH-MHZLTWQESA-N 461.609 5.428 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 920110946 WYGFOJXWEKNTGJ-MEBBXXQBSA-N 485.154 5.001 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3c(C)noc3C)C2=O)cc1 920354165 ZRTBCBRXYRLPJS-HSZRJFAPSA-N 476.602 5.377 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCOc3c(ccc(Cl)c3Cl)C2=O)cs1 921138289 CJDANAKDTLMGTP-RAXLEYEMSA-N 493.799 6.837 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)C2)c1 1778867793 FESPIJNUORTUGE-TXYTYXDCSA-N 491.676 5.048 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)cc5c4cnn5C)CCC3)cc2)C1 1785808714 YIXXGNIFHUWLKR-UHFFFAOYSA-N 493.405 5.050 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ncc3Cl)CCC2)cc1 1786678693 JWDVYVWLXRSQPB-UHFFFAOYSA-N 494.842 5.164 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)Cc3csc(C)n3)cc2)CCC1)c1ccc(O)cc1 1786861281 QOFGVDZHAPHMKA-NRFANRHFSA-N 487.625 5.031 30 20 JKED CO[C@H](C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1)c1ccccc1 1787850081 HVEIXBLSKOCUBO-MIFWMJNYSA-N 474.582 5.009 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ccc(Br)cc4n3)CCC2)cc1 1787887453 BZFZPWJLLZUZLA-UHFFFAOYSA-N 477.362 5.049 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4occc4Br)cc3)CCC2)c(Cl)c1 1788718612 BBELRUWLONLMAJ-UHFFFAOYSA-N 498.764 5.629 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393251 CARLTGSDEAIIQF-DRQPSCMVSA-N 494.979 5.098 30 20 JKED CC(C)[C@@H](C(=O)NC1(c2ccc(NC(=O)/C=N/N3CCCCC3)cc2)CCC1)c1ccccc1 1789514171 JYUBWRGWBPWFJG-BSKSBMDWSA-N 460.622 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3=Cc4ccccc4NC(=O)C3)cc2)CCC1 1789999337 NSIOKJPKROYOFE-UHFFFAOYSA-N 471.601 5.539 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C\c4c[nH]c5ccccc45)CCC3)cc2)cc1 1790703297 MVAMYVMKBGSIPH-GDNBJRDFSA-N 474.564 5.695 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)cc2)CCC1 1791194702 IPTZYMKGNPUAHJ-UHFFFAOYSA-N 496.673 5.149 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)CCCCCCC(=O)OC(C)(C)C)CCC2)cc1 1791577080 HAWLFGJEJIMBNA-SFHVURJKSA-N 462.656 5.121 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccccn3)CCC2)cc1)c1ccc(O)cc1 1791646178 AGLHFPICSXLHLF-HSZRJFAPSA-N 481.596 5.051 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1)c1ccc(O)cc1 1791646208 IWCNYZQCMWQJPT-OAQYLSRUSA-N 493.563 5.478 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C3(F)CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791727016 KYTBIWOQFMLILS-UHFFFAOYSA-N 499.627 5.053 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)cc5nn[nH]c45)CCC3)cc2)c1 1792125276 UJNBXWATSJFZLS-MRXNPFEDSA-N 498.974 5.300 30 20 JKED C[C@H](Cc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126938 OLCRPCWAIHNEMD-RTWAWAEBSA-N 466.585 5.335 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204081 LDFNSAOBBGZYDV-QHCPKHFHSA-N 483.653 5.560 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)/C=C\c3c[nH]c4ccccc34)CCC2)cc1 1792235719 HJKNUFJZOXRKMC-GDNBJRDFSA-N 490.563 5.266 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1C(F)(F)F)C2 1798420771 STMICGLFWCTGMU-REPLKXPHSA-N 464.604 5.008 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](F)c4cccc(F)c4)c2)C3)c1 1799603372 HXFVBJGJNRUJNV-XUJYPJAKSA-N 485.534 5.322 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccc(C(F)(F)F)cc1 1800407332 XNCAKKMJVXLHGO-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)c1 1800675646 CKHHFLGOGCSMAT-RWXMBLCBSA-N 495.505 5.060 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cccc(Cc4cccc(F)c4)c3)[C@@H]2c2cccnc2)C1 1802417667 KASZTHIAXJTEOB-LEAFIULHSA-N 483.587 5.097 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)[C@H]1c1cccnc1 1802492868 RECJRSZBRLSFIT-DVECYGJZSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1802496341 ICTXAORNJIZRNT-XMSQKQJNSA-N 467.660 5.670 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1802744403 RHIZDYQPMRSMSR-NTKDMRAZSA-N 493.394 5.202 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1802959005 ZTIIVDQFYNNOND-DWBJNLRHSA-N 486.660 5.198 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1803090141 GLNMDAYGNQCRSB-YKSBVNFPSA-N 462.619 5.021 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1803092657 ZLCHJOBKNHLPKD-GJZUVCINSA-N 479.596 5.096 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(C(F)(F)F)c1)C1CCC(C(F)(F)F)CC1 1803860966 UWBHHHANOYIWCV-JWEAOGIISA-N 494.451 5.465 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(C#N)cc4)C3)CC2)cc1 1804943058 ZSYJJDMTLDCIHJ-UHFFFAOYSA-N 492.623 5.016 30 20 JKED C=CCSCC(=O)N1CCC2(CCCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)CC1 1805623802 XUYQKPFVISIFEC-UHFFFAOYSA-N 489.125 5.764 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccccc3C(F)(F)F)C2)CC1 1809229772 MYBNYDFSOOHNBY-NRFANRHFSA-N 462.556 5.248 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1809281965 QZUPUWRZAQRTNL-HOFKKMOUSA-N 468.601 5.026 30 20 JKED C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1cccs1 1810276781 JJPAHTIVHTXGPT-UWDQQESISA-N 481.738 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)[C@H]1c1cccnc1 1810494817 HGVXDOQCQSJMTP-CUNXSJBXSA-N 472.633 5.112 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1ccccc1CSc1ccccc1 1811688939 FQTQWTSWWFTBAW-GIGWZHCTSA-N 495.648 5.107 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccccc4)CCCC3)[C@@H]2c2cccnc2)c1 1811923390 COIGIBZHWLPGSC-LEAFIULHSA-N 492.623 5.093 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1812589544 HCAHPCYYCSLWNV-JKJMAWGESA-N 485.603 5.343 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1812962560 WIZKNCFSWUQWRV-XERFRFFQSA-N 477.624 5.435 30 20 JKED CC(C)/C=C/C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1813696790 ZSYILNXFERJOGY-XDOVBIPBSA-N 477.608 5.013 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)[nH]n2)C1 1814396355 AKNHEIQJRJWYMA-DEOSSOPVSA-N 479.584 5.602 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)cc1 1814500564 VZTWYMLHZGGMAG-FQEVSTJZSA-N 482.371 5.137 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1814569808 UFLAYRSHBFGRGC-QFIPXVFZSA-N 480.572 5.185 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1815096562 UNBHQJNSEWQJQP-YDIMBITNSA-N 487.629 5.523 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)[nH]n1 1815244102 XDYSVQAIAONULG-REWPJTCUSA-N 499.587 5.010 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc(-c3ccccc3)ns2)n[nH]1 1817676638 ZWJJTTUBYAOXCI-AZUAARDMSA-N 476.606 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817755511 RWOIBDUVRRCAIT-UGKGYDQZSA-N 493.995 5.792 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[nH]n1 1818116134 XUFKONSOKGLDNC-NDEAJTJBSA-N 494.661 5.509 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606715 BKVZSKDIYJYHTR-AEFFLSMTSA-N 487.025 5.157 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(Br)c3[nH]2)n[nH]1 1819131049 JZKPEIIGBWEKNW-HXUWFJFHSA-N 496.409 5.153 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)c1Cl 1819481297 NHDKBKWMZKECJZ-MTYDYXEWSA-N 488.375 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)[nH]n1 1819556155 WQNVXFNKKMADBR-IBGZPJMESA-N 453.612 5.559 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819962974 FAJHBPCZMJXDPZ-WFASDCNBSA-N 461.440 5.038 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115890 QNMHOMIXIZUFJO-FQEVSTJZSA-N 459.575 5.502 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cccc4ncccc34)[nH]n2)c1Cl 1820218358 STKIRYLPNMSFCA-HSZRJFAPSA-N 498.974 5.032 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccc(Br)cc3c2C)n[nH]1 1821612647 YZYARDPGOIYRLR-XOBRGWDASA-N 498.425 5.480 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccc(C)cc2)CC1 1823945277 PTUIROIXOBBROO-SANMLTNESA-N 452.639 5.152 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1824142504 UQOBIXNXRUXKAP-RUZDIDTESA-N 451.586 5.309 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1824143642 PIRHWLJZEYEJTN-SANMLTNESA-N 493.648 5.035 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1824960148 ACUDVTXUTHPXPI-DEOSSOPVSA-N 474.736 5.157 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1824960902 AAOMMRYQQOYUCW-HSZRJFAPSA-N 458.668 5.016 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1)c1ccccc1 1827327122 BDUTXXWAAKVHJZ-MBSDFSHPSA-N 498.549 5.009 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 1827336376 GGHQGQFKABTITB-MUUNZHRXSA-N 492.623 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c(F)ccc(F)c2F)CC1 1829068358 RNKBWAKUVBZYDY-JOCHJYFZSA-N 464.572 5.259 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc4c3CCCO4)CC2)c1Cl 1829688565 BRCPZZWDHWUXOK-JOCHJYFZSA-N 498.048 5.145 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)c1Cl 1829690001 HEAJMAUODCIPOA-OAQYLSRUSA-N 459.993 5.117 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C4(C#N)CC4)CC3)ccc21 1829694538 DLADUOJUJCYTFZ-RUZDIDTESA-N 482.628 5.351 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)CC2)c1 1829776177 XLBKHTKUGOHVDF-NDEPHWFRSA-N 498.602 5.163 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c4ccccc4n4ccsc34)CC2)cc1 1830015099 HZLNJIVWNHJAEW-DEOSSOPVSA-N 496.636 5.573 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)CC1 1830379629 VLMBEXIJCPAOGD-KAYWLYCHSA-N 496.692 5.415 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721093 XEFWVUJJMPCSQS-UQBPGWFLSA-N 496.076 5.626 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)CC1 1831241931 YCFKBVXRWJJXCL-QHCPKHFHSA-N 475.073 5.503 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831844812 XIUWVRRETITTJS-ITSWEJNFSA-N 488.097 5.179 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3n2)CC1 1831849800 HEPTUKSAQOGSOU-DEOSSOPVSA-N 496.449 5.034 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1832029768 OCJGPTOPWXCQHS-SANMLTNESA-N 479.665 5.161 30 20 JKED C[C@@H](Cc1ccco1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832280110 PWNHIQFFZCADAE-DHLKQENFSA-N 470.730 5.129 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)ccc2n1 1832632139 KZWYRFYCZAKNCQ-ONOMSOESSA-N 494.639 5.717 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719594 HVUBJAJQCSYDFO-GOSISDBHSA-N 470.828 5.430 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1Cl)N1CC2(CCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)C1 1841684470 OCZHCPLDCIGUCT-UHFFFAOYSA-N 498.826 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1844202885 HOWXVCSKSBLYDM-QFIPXVFZSA-N 455.602 5.400 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCCC[C@@H]2CC)nnc1-c1ccc(Br)cc1 10610216 QAQLKMHHOAMALG-QAPCUYQASA-N 463.445 5.165 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)CCc2ccc(C#N)cc2)cs1 12957553 OHCZLIFGFIRKOE-UHFFFAOYSA-N 473.476 5.394 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1OC 15313283 SSMLAATVPAFLKN-MHWRWJLKSA-N 458.514 5.173 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1OC 16408241 VFEKYQWHVLZBIZ-DHZHZOJOSA-N 481.932 5.279 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCCCC3 20052378 ABNOAEZNDJXRFE-OAHLLOKOSA-N 464.616 5.816 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(F)cc1 22217362 KZENMWSJAUYAQI-CYBMUJFWSA-N 461.360 5.152 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCOC)Cc2ccccc2)c1 23597298 BVQOYEHQFWBNRA-UHFFFAOYSA-N 499.032 5.010 30 20 JKED N#Cc1cccc(COC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)c1 24966372 UJXUFYRGZNTYLW-UHFFFAOYSA-N 468.481 5.247 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)o2)cc1 26494594 VUGBKEGUOSBPGF-KRWDZBQOSA-N 467.570 5.149 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)CC1 28298342 QXQQODQRTVCPCC-ATRDNLNSSA-N 494.709 5.226 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(Cl)cc1 36821535 HWPNAOVRQXNTCX-KRWDZBQOSA-N 455.027 6.336 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 46879889 VUBFAPZVJOOQQH-UHFFFAOYSA-N 465.538 6.015 30 20 JKED C=CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1OC 105287217 OZNXYUGOMSNRLO-MHZLTWQESA-N 459.542 5.065 30 20 JKED CCN(C(=O)c1ccc(COc2cccc(Br)c2)o1)[C@@H](C)c1ccc(C#N)cc1 107853460 UMXAHLCYVYZDSL-INIZCTEOSA-N 453.336 5.716 30 20 JKED Cc1ccc(/C=C\c2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)n[nH]2)o1 210024779 HYSJCTZYZKWPIM-KHPPLWFESA-N 490.564 5.085 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc(C)ccc1C 302768424 RXHJIKSNLDDSOH-QGZVFWFLSA-N 456.999 5.433 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cs2)cc1 303234301 YTVIWFUGHFRYTC-UHFFFAOYSA-N 483.593 6.149 30 20 JKED O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 482978918 ANCSUSQUWZBQMP-GOSISDBHSA-N 498.398 6.772 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3c[nH]c4ccccc34)s2)c(C(F)(F)F)c1 487385289 LAOFMORZOBZFIK-UHFFFAOYSA-N 454.477 5.677 30 20 JKED Cc1c(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)sc2nc(C(F)(F)F)ccc12 502139382 FGEILAHPNMANEY-UHFFFAOYSA-N 480.405 6.293 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2 509899209 NUSHYCASVGGIPS-UHFFFAOYSA-N 485.584 5.719 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509901759 WAMBJAGAEDRRJH-UHFFFAOYSA-N 497.382 5.741 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1nccn1Cc1ccccc1 510502748 PVGNHKPWKFCJIO-UHFFFAOYSA-N 451.530 5.268 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 511379554 CKIQOLBPGOAMSD-RUZDIDTESA-N 490.401 6.463 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NCCSCc1ccccc1C#N 512501013 CBNNIRUIFNAIMX-MRXNPFEDSA-N 454.596 5.423 30 20 JKED CCCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1[C@H](CC)N(C)C 513347630 LWTORQXQEUQXJH-APWZRJJASA-N 488.727 5.412 30 20 JKED N#Cc1cc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)ccc1Cl 514455363 QECANXNPYKFIBT-UHFFFAOYSA-N 468.738 5.408 30 20 JKED C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nc2sc(C)c(C)c2c1=O 514516361 PIBNCXULHRKWOB-UHFFFAOYSA-N 470.645 5.142 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 515666509 PWNXOWTXAMTIDV-IBGZPJMESA-N 461.389 5.069 30 20 JKED Cc1cc(-c2noc([C@@H](C)Nc3cc(C(F)(F)F)ccc3SCCC#N)n2)ccc1F 517460520 IVGYEFQOWCCDHX-CYBMUJFWSA-N 450.461 6.382 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1NC(=O)c1ccco1 517800665 AKQIWOBBMUAEHK-IBGZPJMESA-N 452.495 5.326 30 20 JKED O=C(c1ccccc1F)N1CCC(NCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC1 518266422 XOFUTKLGHSJZNA-FQEVSTJZSA-N 478.408 5.092 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)c(C)c1 518515449 JNCSFCDCARJBDS-OAQYLSRUSA-N 453.523 5.961 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccccc3SCCC#N)s2)cc1 518676636 KLXJHAQNEKYYQM-MRXNPFEDSA-N 464.616 5.249 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1 518690507 NHPBTLHEJNUJAM-UHFFFAOYSA-N 461.522 5.094 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CC1 520805945 ONONIHLIURJANR-UHFFFAOYSA-N 467.451 5.118 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc(-c5ccc(Cl)cc5)no4)C3)cc2)cc1 524159517 ISHPQLJVQKEKDN-HXUWFJFHSA-N 499.958 6.465 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 524406286 UXNCIMSJCDXUEO-UHFFFAOYSA-N 488.547 5.925 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 524565167 KDXLBIZWDKUPBL-LJQANCHMSA-N 458.562 6.183 30 20 JKED N#Cc1ccc(N2CC[C@@H](Sc3nnc(-c4ccc(Cl)cc4)n3Cc3ccccc3)C2=O)cc1 589716106 MLMZGZFPPQWFLZ-HSZRJFAPSA-N 486.000 5.416 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc(-c3cccs3)n2C2CC2)n(Cc2ccco2)c1C 590612308 PQMUUAYBPQSCTH-UHFFFAOYSA-N 492.630 5.394 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)CC2)c1 603106741 SHZWWSSLYCXXEZ-UHFFFAOYSA-N 451.766 5.091 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc5ccccc5c4)o3)cn2)cc1 603961526 AOGXKZBDZWCHJP-UHFFFAOYSA-N 479.521 5.680 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 603962391 SVOZKQNADPLADR-WAIKUNEKSA-N 463.990 6.073 30 20 JKED N#C[C@H](Cc1ccccc1)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 604493677 XNOJYCRVVISFTN-QFIPXVFZSA-N 485.579 6.641 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCc2nc3c(s2)CCCC3)cc1 608919475 QHFZUAIYRDJWCT-UHFFFAOYSA-N 462.594 5.377 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609065183 DMECJEZOENNOEY-UHFFFAOYSA-N 479.352 5.627 30 20 JKED CCOc1c(OC)cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 609079996 QJOLUJJIANYWTF-UHFFFAOYSA-N 495.963 5.528 30 20 JKED COc1cccc(C2(CNC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)CCCC2)c1 609382078 IZGZDTBHLMXGFQ-UHFFFAOYSA-N 499.636 5.539 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 609433868 ITPSHGPPXYDKGS-IBGZPJMESA-N 465.517 5.107 30 20 JKED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N(C2CCCC2)C1=O)Nc1ccc2ccccc2c1 726115566 QYECCJNYJIVDOT-HZVWYJMBSA-N 472.614 5.049 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 726397540 IGLKIFDORMYLKW-WZONZLPQSA-N 461.587 5.225 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 726410513 HSANSSQNQBBMPW-DFBJGRDBSA-N 498.608 5.183 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1cccc(C#C)c1 726411240 HLIMJCULYQGJFN-LJQANCHMSA-N 490.799 5.222 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(C3CCCC3)C2=O)c(OC)c1 726422218 UIKROGSMBNOWOJ-QQDOTYKZSA-N 487.647 5.098 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CC(F)(F)F)C1=O 726423362 ZATOHJFWDGDRFN-QTTWMTAASA-N 499.580 5.489 30 20 JKED Cc1cc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc3c(c2)CCCC3)c(C)s1 726569486 AQKKMDHMXOPJIN-UHFFFAOYSA-O 464.636 5.038 30 20 JKED C[C@H](N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1cccc(O)c1)c1cccs1 726579425 VJJQJEXEEHPKHT-INIZCTEOSA-O 482.651 5.100 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccn2)cc1Cl 726893116 XYAJXEPZYDVRRW-OAQYLSRUSA-N 498.967 5.043 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cs1 727266656 CBLAYSNODXRCJB-TWGQIWQCSA-N 484.465 5.296 30 20 JKED COc1cccc(CC(=O)N2CCc3ccc(NC(=S)Nc4ccc(C#N)c(Cl)c4)cc32)c1 727281156 AXAWXMFQHCGNHB-UHFFFAOYSA-N 476.989 5.161 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sc(N3CCCC3)nc2Cl)cc1Cl 728164942 PWWADNZOWWWWEC-QGZVFWFLSA-N 457.386 5.958 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F 728298123 AWIJWURWBQBAAO-OAHLLOKOSA-N 457.427 5.734 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2CCCCC#N)cc1 728779316 YCILFXATXQCURN-FQEVSTJZSA-N 499.434 5.412 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1CCCCC#N 728779542 JPSPUQPYPPXHMY-QFIPXVFZSA-N 499.036 5.565 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 729564173 WSKFEPABXGXNIS-HXUWFJFHSA-N 464.566 5.380 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)c1 729631312 GQPCPRXVICKTTI-DYGTUWESSA-N 494.642 5.050 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 729668637 MCXQWYICQJFGCI-UHFFFAOYSA-O 492.404 5.664 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)c1 730461796 IDUOMTRPEVDNJK-QHCPKHFHSA-N 465.619 5.603 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2c(C)cccc2C)s1 730710396 JZHDDRSMTQLBJJ-MJGOQNOKSA-N 479.631 5.185 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 730953608 MBIWRIQIGQVYJK-CTNGQTDRSA-N 492.670 5.854 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731305664 FUMIDCORDPDZTA-QVKFZJNVSA-N 480.977 5.162 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccc(Cl)c1 731306528 AGBYKIRDMIUXLD-QFIPXVFZSA-N 495.988 5.215 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 731308833 QONDATLCRSLRFH-WZONZLPQSA-N 474.586 5.126 30 20 JKED COc1cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)ccc1OCC(=O)Nc1ccccc1Cl 746346270 OJONWKGAQNQDHR-BENRWUELSA-N 481.980 5.656 30 20 JKED C=C(C)COc1cc(/C=C(/Cl)c2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)ccc1OC 747063359 IQMSWRBTUXRQEJ-XDHOZWIPSA-N 490.025 5.007 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1Cl 747111984 JXFVVSLHNGKCTO-OAHLLOKOSA-N 494.787 5.669 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)ccc1Cl 750860688 CGOMDHNMCUUSCW-KRWDZBQOSA-N 495.004 5.089 30 20 JKED CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccccc2CC)cc1 798149100 OIBAEIWYIYRFQB-UHFFFAOYSA-O 462.639 5.807 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837659667 GCDPXBVQVBKKRU-GAJHUEQPSA-N 494.567 5.698 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 849207964 PBFXVCUFGVQGGF-UHFFFAOYSA-N 478.577 6.285 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)c1C#N 857844993 WENCLMNLRHTUML-HNNXBMFYSA-N 487.606 5.927 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 858068682 SFRPCMITJXQISI-HSZRJFAPSA-N 455.583 5.416 30 20 JKED COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915085453 MFKRXQZVOHXNOK-AREMUKBSSA-N 497.576 5.404 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnc1-c1cccc(C)c1 915086854 NYWNZSFBKPYBTP-XMMPIXPASA-N 467.598 5.660 30 20 JKED N#C[C@@H](C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1nc(-c2ccccc2)cs1 915101694 GNQYPCLDEKMHJI-NRFANRHFSA-N 465.534 5.216 30 20 JKED N#C[C@@H](C(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1nc2cc(C(F)(F)F)ccc2s1 915104154 MBZPLVLAFPWHMQ-LBPRGKRZSA-N 465.840 5.143 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC2CCC2)c1 915115880 AGNAHYCKHIVJIU-JOCHJYFZSA-N 451.592 5.072 30 20 JKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 915511813 GQAQKFLYJGRPBB-INIZCTEOSA-N 470.441 5.013 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccco3)C2=O)c1 916206160 XDJOQRFXHMCUBS-FQEVSTJZSA-N 487.940 5.241 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccccn3)C2=O)cc1 916212577 YQHKQWMTLMKGTJ-JOCHJYFZSA-N 495.004 5.294 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2cc(Cl)ccc2s1 917045891 CAWRFWMQTDUULW-RDJZCZTQSA-N 478.788 5.738 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 917426510 NHQUHFAHQCMUAU-ZJSXRUAMSA-N 496.567 5.379 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1[C@H](C)c1ccccn1 917661387 CQAMAOOSNVCHHQ-NTKDMRAZSA-N 487.629 5.178 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2C[C@@H]2CCCO2)cc1 917666251 VVRNRPDSGGCASN-BJKOFHAPSA-N 494.661 5.015 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2cccc(C)n2)C1=O 917687885 WWWAIHSRXUJPQJ-HSZRJFAPSA-N 492.576 5.007 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1 917714669 RYZIBHXKGGNDMW-UHFFFAOYSA-N 474.007 5.221 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2cc(C)ccc2C)ccc1Cl 917830279 SSMDLZKCBDEFCQ-UHFFFAOYSA-N 469.006 5.615 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 920139588 VLSMAEMLEKFYSQ-LJQANCHMSA-N 486.519 5.325 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)O)cc2C)SC1=Nc1cccc(C(F)(F)F)c1 920169849 IFZYILFSJAKYKB-SFHVURJKSA-N 493.507 5.082 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCO[C@@H](c3ccc(Br)cc3)C2)c1=S 920305888 NZWUESVHSZOSAL-HXUWFJFHSA-N 489.414 5.200 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cc(C)on3)C2=O)cc1 920352967 WLNZAWUFMZFCNB-OAQYLSRUSA-N 462.575 5.069 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 920870600 NOOHVFRNOPNMSU-VGOFRKELSA-N 471.598 5.192 30 20 JKED CC(C)(C)n1ncc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)c1Cl 1785880807 ZITRZXOJSURROZ-UHFFFAOYSA-N 490.007 5.154 30 20 JKED Cc1nc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cs1 1786861264 PTVZRMVETNELDC-KRWDZBQOSA-N 458.587 5.069 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3C(=O)OC(C)C)cc2)CCC1 1787046740 TYXUDIBTCQUVQW-QFIPXVFZSA-N 475.589 5.163 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C)cc2)CCC1 1787345133 HVXAADDIYHGFHS-WHLCRQNOSA-N 493.604 5.114 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)c5c(nc4c3)CCCC5)CCC2)cc1 1787888473 PFOPLIYFNANLJC-UHFFFAOYSA-N 487.003 5.818 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](C)S)CCC4)cc3)cc2n1 1789220168 HPELJDQMHQDCEM-OAHLLOKOSA-N 453.995 5.263 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4nc3C)cc2)CCC1 1789247450 BICXQRJXGNYXAO-UHFFFAOYSA-N 454.574 5.454 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4cc(OC)ccc34)CCC2)cc1 1789449446 REHJZHONYJPEDZ-DEOSSOPVSA-N 471.601 5.622 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(Cl)cccn34)CCC2)cc1 1789451200 AIQLLLLFQPLOSD-HXUWFJFHSA-N 462.981 5.504 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(C)on3)cc2)CCC1)c1ccc(O)cc1 1789574316 WJUSTUPFRQSRSQ-GLBTYYSXSA-N 483.568 5.033 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ncccc4C(F)(F)F)cc3)CCC2)c1 1789854073 PCXGWVAGJUULAN-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3csc(C(F)(F)F)n3)cc2)CCC1 1789881487 AYKARNZUMIHPDU-UHFFFAOYSA-N 459.440 5.121 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CCC1 1790228028 JSTNSDIQNLLJHO-HNNXBMFYSA-N 462.377 5.542 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)ccc5[nH]4)CCC3)cc2)ccc1F 1790520206 ISQLWEBXESFMNT-UHFFFAOYSA-N 484.506 5.308 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4cccn4)cc3Cl)CCC2)cc1 1790567892 QPHOGLLCKINHSK-SFHVURJKSA-N 493.995 5.074 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cscn4)CCC3)cc2)cc(C(F)(F)F)c1 1790785327 GEZBDFUSLNNPTA-UHFFFAOYSA-N 470.476 5.095 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cc6cc[nH]c6cc5F)CCC4)cc3)c2c1 1790835966 IGRTXMYPCYKDIR-UHFFFAOYSA-N 492.514 5.116 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4cccc(Br)c4n3)CCC2)cc1 1791254756 XBSZRTZKQOVVOU-MRXNPFEDSA-N 481.394 5.057 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CCC2)cc1 1791575490 MLSMPLKBTILNRH-ZDUSSCGKSA-N 461.509 5.253 30 20 JKED Cc1ccnc(-c2cc(CCCC(=O)Nc3ccc(C4(NC(=O)C5(C#N)CC5)CCC4)cc3)ccn2)c1 1791762907 APBAJDZFVFUDDJ-UHFFFAOYSA-N 493.611 5.213 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)cc1C#N 1792168553 OORRGTOICLMRGV-UHFFFAOYSA-N 477.948 5.653 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1 1792169677 JEPGJRGXKGGDLV-HNNXBMFYSA-N 464.459 5.183 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792207930 LDBGJAVECNRSGG-UEVCKROQSA-N 481.637 5.265 30 20 JKED CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1)c1ccccc1 1800739851 BMCOAPGWGZULQL-KAOXLYBCSA-N 469.507 5.023 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Cl)cccc1Cl)C2)c1ccc(O)cc1 1802416875 IFMGNVVUMDFGCB-HAGHYFMRSA-N 485.411 5.148 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@H]42)C3)cc1C#N 1803839491 SJMBWGPANHKNOP-CSLWSCTPSA-N 477.649 5.204 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)C1 1804860109 ZYRYDSHQSCKKKK-NHCUHLMSSA-N 458.593 5.292 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1)[C@H]1CC=CCC1 1808137577 BUFLTYSYWWVZEX-DEIHTGSNSA-N 489.619 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1810180937 AKPQNSHHVKFPRG-ROKPMTFOSA-N 462.619 5.021 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811426522 YWLWNPCEJMXLHF-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811442008 KNEKBJNFPXKMIR-NFCJYOSASA-N 471.576 5.420 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3c(F)cc(Cl)cc3Cl)[C@@H]2c2cccnc2)c1 1811459999 OWIFFCSLGWZUEV-JPYJTQIMSA-N 497.357 5.033 30 20 JKED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1811695763 UHJHHAFPAZZSNK-PIBDYAPNSA-N 491.682 5.012 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811749095 LNHMVQGGIUPNCC-VNZMSGEBSA-N 467.013 5.143 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1811952122 UTWAWPAFIBSFRO-XRKRLSELSA-N 480.612 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1812235810 YOQWVTNTNJZJHK-UMEGOILYSA-N 477.008 5.304 30 20 JKED CC#C[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1)c1ccc(O)cc1 1812700910 RJHLAZJVEIYDPG-ULRLNABPSA-N 489.660 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1813826612 SZFFXPPKJGVRJS-YZUZCNPQSA-N 451.998 5.131 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccoc34)[C@@H]2c2cccnc2)c1 1813868569 OJEJDRKSCWNNPD-YZXAJQSBSA-N 478.552 5.088 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCOc2ccc(F)cc2)n[nH]1 1814653800 CPTMQJCLAOHZOC-QHCPKHFHSA-N 498.675 5.061 30 20 JKED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1)c1ccc(Cl)cc1 1814659598 DYLSKJHTZSZGQQ-UZUQRXQVSA-N 475.980 5.239 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1815244011 RUDHMGNJCONTLF-JXFKEZNVSA-N 460.600 5.024 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC#N)n[nH]1)c1ccc(OCc2ccccc2)cc1 1816747757 AWTLDXHOOLIXRY-LEAFIULHSA-N 499.615 5.334 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c1 1817827407 ZXFLGIZGYQYSIE-IBGZPJMESA-N 459.531 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)n[nH]1 1818160473 CLOGRJFKMLZQPH-QFIPXVFZSA-N 491.592 5.372 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)oc2ccccc12 1818569732 IJSMTDIYSRBXAS-QFIPXVFZSA-N 467.529 5.150 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1 1819190505 QRKGXEUPQKBBJY-HXUWFJFHSA-N 481.698 5.310 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819385552 XIIYRMQHIIMCAG-RBBKRZOGSA-N 454.691 5.221 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820231935 ZGRNOBNQJDTOJA-UTKZUKDTSA-N 466.969 5.884 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC#N)[nH]n2)cc(C(C)(C)C)c1 1821193425 WTXCNWQMQWDWKU-QFIPXVFZSA-N 463.626 5.614 30 20 JKED CCOc1c(F)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1Cl 1821212610 CWPBFPHBOZPNRV-OAQYLSRUSA-N 495.942 5.092 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1cc(F)ccc1C(F)(F)F 1823302453 IQIDOLXBPKZFCL-HNNXBMFYSA-N 492.395 5.216 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[nH]n2)CCC1 1823380953 VAZVJTGODMDHRP-LJQANCHMSA-N 486.403 5.134 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1824962589 NTCLAGHLHMEBIO-LJQANCHMSA-N 489.896 5.799 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1826685565 VPPQARMPFYLXSD-QHCPKHFHSA-N 455.558 5.123 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734386 CSKCRVHOICDCNE-XXBNENTESA-N 469.025 6.046 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)CC1 1828773035 IEBCHGQYMZRTOW-KNQAVFIVSA-N 460.709 5.617 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](C#CC)c2ccc(O)cc2)CC1 1828831619 WFUWGOXIELJSEF-MYKRZTLLSA-N 476.661 5.277 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2coc(C(C)C)n2)CC1)c1ccccc1 1829030518 QGSXPTKIMGPZDN-AHWVRZQESA-N 475.633 5.229 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1)C(F)(F)F 1829496334 RNJPOBSNWDZHGC-QHCPKHFHSA-N 471.523 5.100 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1829600553 FCNOHEXOGHQXIC-AREMUKBSSA-N 468.601 5.106 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2)CC1 1829962804 VIXFGBFQXYZGSV-XMMPIXPASA-N 456.678 5.110 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1830410031 CUUDSGWRDIUHHP-RLWLMLJZSA-N 478.637 5.024 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1830631906 RFYCJFSSFNSXSN-VWLOTQADSA-N 498.652 5.423 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830723364 GDCWDCQQEXLJSE-AFMDSPMNSA-N 489.019 5.386 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830734007 TXXIRAKHHYCDIS-NFBKMPQASA-N 471.573 5.044 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c1 1830765134 HFQMCQAJVGBJEF-QFIPXVFZSA-N 470.038 5.058 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c1 1830768363 QTCSUYOPKDKHFM-NRFANRHFSA-N 473.495 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3F)CC2)c1 1831570010 QTBFVNRMWSMAQX-NIYFSFCBSA-N 479.571 5.068 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc(F)c3F)CC2)c1 1831574123 HVVVNERPIGEFNX-DFBJGRDBSA-N 479.571 5.068 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686928 JQJREFFUPYZRFZ-DTRLIKKFSA-N 493.511 5.036 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1831859076 ADLZESAWJWKJCI-RUZDIDTESA-N 456.590 5.039 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832167679 JCGCSGKVXUWAJS-ISKFKSNPSA-N 499.797 5.233 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)n1 1832634961 YUHPRNHAZNJABI-RBTNQOKQSA-N 486.660 5.192 30 20 JKED COc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832635502 IAODCCZCUOEFHR-NIYFSFCBSA-N 477.580 5.008 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CC1 1832703682 PRPCHGQKWHPGRB-OZXSUGGESA-N 477.649 5.325 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 1832720600 ZBSULWYHAUNTTG-HXUWFJFHSA-N 469.840 5.846 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2F)CC1 1832723381 QFAAJMWCASURKU-YCRPNKLZSA-N 483.397 5.173 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1832799303 GNRWMCSLHXKHMZ-HJOGWXRNSA-N 489.582 5.355 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)CC1 1833080177 VZMICOGDTIOPAI-UHFFFAOYSA-N 497.577 5.022 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)CC1 1835820053 NVTBXKKOXLITLB-UHFFFAOYSA-N 497.577 5.022 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccccc2Oc2ccccc2)C3)cc1C#N 1846880351 YCJBKWYYCCSGMF-UHFFFAOYSA-N 495.579 5.269 30 20 JKED O=C(O)c1ccccc1/N=C(\c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 1857777145 VIQAJOVQSKBFHD-SBLBCILWSA-N 454.751 6.725 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173187 SLIZHZPDPOXGOS-UHFFFAOYSA-O 479.669 6.849 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10833007 ZJHPLZSGHLDYMB-UHFFFAOYSA-O 486.060 6.832 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2ccccc2)c1C 11158263 JULKEKBMDUGBHH-UHFFFAOYSA-O 490.527 5.165 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(F)c1 11559813 MQVLOEHIXBQWEM-RUZDIDTESA-N 470.573 5.663 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)Nc3sccc3C#N)c3cnn(C(C)C)c3n2)c(C)s1 14325652 WREJCPCDNTUZFI-UHFFFAOYSA-N 479.587 5.086 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc2c(c1)CCCC2 14871946 JPCHUCWOIKKGFZ-UHFFFAOYSA-O 473.618 5.237 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)c1 14872181 HFAPYQCJPIDFFI-UHFFFAOYSA-O 460.406 5.387 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)nnc1-c1cccc(C)c1 16659014 GIEJEXPWKSMECU-UHFFFAOYSA-N 496.640 5.509 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccccc1OC 18771363 HEQCWXBDTDEZJW-KRWDZBQOSA-N 478.618 5.488 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C 23518861 FRUJGTKQDQDBDH-MSOLQXFVSA-N 466.582 5.031 30 20 JKED C=CCn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1[C@H]1COc2ccccc2O1 23592028 NHIVECQNAIFUCL-XMMPIXPASA-N 490.629 5.435 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)N[C@@H](C)c4ccc(C#N)cc4)sc3[nH]2)c1 26128322 NNDYPCRGDSPJTQ-KRWDZBQOSA-N 488.638 5.565 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCOc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 28665591 WTMMTNRALMXWRR-SFHVURJKSA-N 475.401 5.170 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(F)cc2F)cc1 28793326 QANXZCMVIRRMIJ-UHFFFAOYSA-O 498.619 6.354 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(C)c2)c1C 28793706 USXWMNSSTOFHIC-UHFFFAOYSA-O 475.421 5.788 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nc2sccc2c1=O 36812054 RPXFTAZNYDKBCR-RYUDHWBXSA-N 468.431 5.309 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncccn2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 71820269 FSBVBRRQWVQXRE-RDJZCZTQSA-N 482.679 5.253 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2s1 109369215 VTKYLSNGEKRYKP-HNNXBMFYSA-N 463.613 5.689 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nc2sc(C)c(C)c2c1=O 255941842 USMWXSYNZWPYBI-KRWDZBQOSA-N 455.649 5.812 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3)o2)nc2sc(-c3ccccc3)cc2c1=O 255941846 UVQFXTZWAPHNIM-UHFFFAOYSA-N 458.568 5.653 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C 501151753 WWWAAXRJBOTFOO-UHFFFAOYSA-N 453.521 5.320 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)o2)cc1 501481179 PZEOPNYJRYQPSX-UHFFFAOYSA-N 451.526 5.866 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 502408993 VTOVTJGENLGPDB-IBGZPJMESA-N 450.441 5.439 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 503530106 AETSWTXOSMFDGS-SFHVURJKSA-N 467.541 5.841 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 508272307 GZIOJCYCIPCHTC-UHFFFAOYSA-N 455.436 6.042 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 509910368 JNYIWFGNWNVMLO-UHFFFAOYSA-N 482.584 5.066 30 20 JKED N#Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)cc1 509980467 ABKSNTQWNOTJHZ-UHFFFAOYSA-N 498.395 5.173 30 20 JKED COCCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 510743650 AQCIUAXVNCTQOL-IBGZPJMESA-N 475.545 5.576 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1 512511816 MFNLLINQRIDEDN-GOSISDBHSA-N 463.582 5.112 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccccc1F 512513238 FTSXZGLOPYBMRJ-UHFFFAOYSA-N 462.337 5.919 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)nn2-c2ccccc2)cc1 513154374 LHSCSQANISZAIJ-HXUWFJFHSA-N 462.431 5.452 30 20 JKED Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 515578227 MYBVJTPQHZGPNH-MHZLTWQESA-N 469.585 5.423 30 20 JKED Cc1cccc(C)c1OCCCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516289805 OJVLWQWSCACNMR-QHCPKHFHSA-N 475.976 5.136 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c12 517907021 XJYJYTCZCOAAOW-UHFFFAOYSA-N 468.435 5.512 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)N1CCCCC1 520194977 NXZKUSZBOMDEPJ-UGKGYDQZSA-N 452.624 5.438 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 521755711 HHHBBBYBHCAXAA-AREMUKBSSA-N 470.573 5.135 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc4c(cc3C#N)CCCC4)cc2)cc1 585688421 RJGBHOSLWXNZNQ-UHFFFAOYSA-N 486.597 5.214 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1 603737378 DBAMEFYIYVSRGD-UHFFFAOYSA-N 450.535 5.035 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1Cl 603758874 MGJZJHRDIFPMDX-RUZDIDTESA-N 491.934 6.048 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1NC(=O)c1ccccc1 603995572 ITZGNDGGXWEXFN-UHFFFAOYSA-N 474.520 5.624 30 20 JKED N#Cc1cc(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)ccc1OCC(F)(F)F 604084269 LMBHXCIJKIDMJO-UHFFFAOYSA-N 486.425 5.212 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 604126122 IMQWGTJZTPFSOY-DEOSSOPVSA-N 472.614 5.146 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2csc3ccccc23)cc1Cl 604141177 UWNSHDGPZUQWGM-NRFANRHFSA-N 459.958 5.465 30 20 JKED COc1ccc(CC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 609079755 KRSGFEZTPOXSIV-UHFFFAOYSA-N 469.585 5.941 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)c1 609434504 RSBZEQACSNPCSE-HUUCEWRRSA-N 471.401 6.382 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612478152 MZVGIAWTMYKFKF-KBPBESRZSA-N 479.396 5.722 30 20 JKED N#C[C@H](C(=O)c1cnn(Cc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347383 ZLOHINJXTJBYNY-GOSISDBHSA-N 453.354 5.852 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1F 613387115 MAQQXUJQROUADZ-CVEARBPZSA-N 450.539 5.374 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)nn2C(C)(C)C)nc2scc(-c3cccs3)c2c1=O 613827827 XJOXJIFBFRNIAB-UHFFFAOYSA-N 499.687 5.363 30 20 JKED CCOc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 620291348 HZLYZTUMBWAVFU-URLYPYJESA-N 494.354 5.068 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 623050365 BXKTXVGEQYBHAU-NHCUHLMSSA-N 477.678 5.004 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cs1 642282330 DOXYYWQQEZYTLO-KRWDZBQOSA-N 454.527 5.979 30 20 JKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1[C@H]1COc2ccccc2O1 644969232 LVXKCNIXMHYFGJ-RHSMWYFYSA-N 480.619 5.034 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(c3c(C)[nH]c4ccccc34)CC2)c1=S 725770688 HBTDBXGBQHDVFQ-UHFFFAOYSA-N 473.646 5.903 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCCOc1c(C#N)cnc2ccccc12 726362084 FJZNXTSHSQSJNK-UHFFFAOYSA-N 491.956 5.618 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccccc2)c1 726406205 VAMOMIRXKOIFJF-VWLOTQADSA-N 481.577 5.031 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)Cc1ccco1)c1cccs1 726415212 FXZAVWXKNOKWOO-LYCGUFCRSA-N 481.643 5.040 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\[C@H](C)c1cccs1 726423326 YWSZRKOPRKFJBN-RMHAOICISA-N 486.446 5.091 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)c1 726690549 YXIBLQFFFYFIMB-UHFFFAOYSA-N 470.268 5.444 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(SC(C)(C)C)cc2)cc1[N+](=O)[O-] 726777795 UKALBMBPYBYZLK-UHFFFAOYSA-N 479.562 5.523 30 20 JKED CON=Cc1ccc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1 726784033 LUXYGPPXGXWXME-UHFFFAOYSA-N 461.905 5.807 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(/C=C2\N=C(c3ccc(C#N)cc3)OC2=O)cs1 726909842 WZUDFFYWILDMHR-GRSHGNNSSA-N 482.443 5.063 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2c(cnn2-c2ccccc2)C1 728119515 OTANAGGEBDNMMV-UHFFFAOYSA-N 463.541 5.222 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 728119812 SJURNTOHQKFBBN-LJQANCHMSA-N 470.529 5.285 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(F)cc1F 728424632 FPHTYDSUHWQYJQ-NYHFZMIOSA-N 494.523 5.021 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](O)c3ccccc3C(F)(F)F)cc2Cl)c1 728738387 LDCYGMYJURHDNB-NRFANRHFSA-N 489.881 5.665 30 20 JKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 728764682 DKRBHKFMBRZZKA-CVEARBPZSA-N 469.315 7.029 30 20 JKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 729889512 RTOOBEGVPRHNNV-IBGZPJMESA-N 466.950 5.852 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730459195 IIKFERUFSWKXER-SFHVURJKSA-N 466.365 5.645 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](C)Sc2ccccc2S(=O)(=O)CCC)c1 730493316 GNFUNLPPXKGVDQ-IBGZPJMESA-N 467.612 5.159 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(F)c1 730535288 MLDSASMETDJSLU-SFHVURJKSA-N 467.488 5.523 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)c1 730713701 POUAUKZIWFBHMY-JOCHJYFZSA-N 462.575 5.069 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O)Nc1ccc(Cl)c(Cl)c1 730717605 PKBRVQDMYDUPMW-SFHVURJKSA-N 493.347 5.281 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(Br)c2)CC1 731069054 FDKLXEMHZLPIBR-HNNXBMFYSA-N 473.392 5.057 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1F 746697565 GVBUJLHIIWYGSJ-HXUWFJFHSA-N 497.514 5.020 30 20 JKED COc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)ccc1S(C)(=O)=O 747062334 VATOGBZDBJLZSZ-GXDHUFHOSA-N 492.984 5.501 30 20 JKED COc1ccc(/C=C(/C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)cc1OCCCC#N 747361215 HMKXXBAKAUIYCO-HAVVHWLPSA-N 498.535 5.054 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 749361007 NITOZLAYZILHFQ-UHFFFAOYSA-N 459.505 5.517 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@H](C)c2cccnc2)cc1 837834808 DUYOVTOOKUZCQO-WZONZLPQSA-N 493.032 6.073 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@@H](C)c2ccccn2)c1 838277209 KXRCTNUVSNMNLB-MHECFPHRSA-N 488.613 5.374 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3nc4ccccc4s3)o2)cc1 839415677 OAOQNFDUELUECI-UHFFFAOYSA-N 451.508 5.037 30 20 JKED COc1ccc(C2=NN(C(=O)CON=C(C)c3cc4ccccc4o3)[C@@H](c3ccco3)C2)cc1 852755050 VGFCCGHJQIYVJN-JOCHJYFZSA-N 457.486 5.153 30 20 JKED Cc1cc(C#N)ccc1Oc1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1 856572604 CPRVLSZRLFUVEY-QFIPXVFZSA-N 456.546 5.605 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N([C@@H](C)Cc2ccco2)C1=O 914690560 ZINMWOUNNRBIGT-SBUREZEXSA-N 495.576 5.327 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 915020684 OUOFOLZYVIYGBK-QFIPXVFZSA-N 483.568 5.356 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(O)c2ccccc2n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103190 QQZVWZNQODKDMD-INIZCTEOSA-N 483.380 5.965 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c(C)c1 915350291 PWJRFNPYEFRBTM-MHZLTWQESA-N 451.570 6.086 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1OC 916135753 OFZIUMHEVKRNLS-JYOAFUTRSA-N 469.896 5.410 30 20 JKED COc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)ccc1OCc1cccc(C(F)(F)F)c1 916154284 HAMBVOZIZGLTGL-WQRHYEAKSA-N 488.483 5.347 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 916205892 UOOZQNCHVZIROB-NRFANRHFSA-N 492.016 5.483 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=O 916209884 UHILZDXDBQKWRJ-JOCHJYFZSA-N 481.524 5.134 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c1)c1ccccc1Cl 916278127 BCXFIYKBQKIZOI-UHFFFAOYSA-N 498.011 6.099 30 20 JKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cccc(OCC#N)c2)cc1OC 916411116 PKEDAKREJONLLN-CAPFRKAQSA-N 491.547 5.893 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 916950840 VDCAMJBXPWYLTJ-LJQANCHMSA-N 464.934 5.019 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cn3c(S)nnc3-c3ccc(Cl)cc3)c2)cc1 917343722 CSEAVAXWAUCDHK-UHFFFAOYSA-N 489.988 5.171 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H]1CCN2CCC[C@@H]2C1 917659072 VXYAUUGLPCYBHT-ZRCGQRJVSA-N 494.636 5.030 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917686975 JHJMTMGDSSQFAG-GPXNEJASSA-N 494.636 5.030 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccsc2)cc1 917691948 YVAGEAFKKMQGDV-QFIPXVFZSA-N 495.626 5.316 30 20 JKED N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)sc2c1CCCCCC2 917783989 RYNWMXMYXRTZGG-UHFFFAOYSA-N 492.066 5.359 30 20 JKED CN(C(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCCC1 917807145 RNSIXPUDUADUKA-UHFFFAOYSA-N 457.530 5.387 30 20 JKED COCCCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 919357069 ASCLUYRUHZFTHV-NTMALXAHSA-N 468.575 5.208 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C)nn(-c4ccc(F)cc4)c3C)n2)cc1 920139622 WAJFCSCOMSSHFZ-QFIPXVFZSA-N 460.534 5.179 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 920356327 SEACTZJELKPZHE-FQEVSTJZSA-N 468.966 5.105 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 920818329 OCFABUNVDMCIIK-UHFFFAOYSA-N 473.920 5.144 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)cc1C 920891532 AISFFMAWGHKTBS-UGKGYDQZSA-N 476.602 5.051 30 20 JKED COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC=C1C(=O)CC2(CCCCC2)CC1=O 920978494 FNRBETOXNOAMAN-UHFFFAOYSA-N 462.546 5.134 30 20 JKED CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)C1(C#N)CCC1 921167148 HYVQPBNRSJJNMK-UHFFFAOYSA-N 494.016 5.254 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)COCC(F)(F)F)cc1 921255354 ZQOZADJNXJXWIG-FXAWDEMLSA-N 493.551 5.231 30 20 JKED Cc1cccc(-c2nc(CC(=O)O[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)cs2)c1 926040282 KZGKIYTUUPFWFE-HXUWFJFHSA-N 461.587 5.156 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(NC(C)=O)c3)CCC2)cc1 1785842708 ITKKYZVWXYZPIB-UHFFFAOYSA-N 477.605 5.394 30 20 JKED Cn1nccc1-c1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)sc1Cl 1785934129 FRJKBVNQJPCJPR-UHFFFAOYSA-N 482.009 5.099 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)COCc4ccccc4)cc3)CCC2)c(Cl)c1 1787895508 ZMTCYNHVYWBSPK-UHFFFAOYSA-N 473.960 5.176 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4nc(C)ccc4c3)cc2)CCC1 1789030064 BMAXSYBZTMXIPG-UHFFFAOYSA-N 457.574 5.274 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nnc(-c4ccccc4)o3)CCC2)cc1 1789454310 VGONYZVVKCNPPH-QFIPXVFZSA-N 456.546 5.253 30 20 JKED COc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1790232942 IUXCXRFSYYQCQD-IBGZPJMESA-N 453.542 5.384 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)Cc4ccc5ncccc5c4)CCC3)cc2)ccc1F 1790521522 PPLSZWKOIPLOTG-UHFFFAOYSA-N 492.554 5.165 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)cc2)CCC1 1791137619 XOYGCDMRTMCHDH-QFBILLFUSA-N 486.538 5.046 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nc4ccc(O)cc34)CCC2)cc1 1791298714 SCSQYYBLSXTCRF-UHFFFAOYSA-N 465.500 5.208 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(F)(F)F)c3)CCC2)cc1 1791299979 UTGAJLASEQACSY-UHFFFAOYSA-N 453.411 5.060 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc(F)c4F)cc3)CCC2)cc1 1791379535 PMXPUZDCEHBIOC-UHFFFAOYSA-N 459.496 5.021 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](O)c3ccccc3Cl)cc2)CCC1 1791748146 HIOJWLCDWDNPMA-NFBKMPQASA-N 452.982 5.276 30 20 JKED CO[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1)c1ccccc1 1792122339 KEKIHCZBYHUZBS-IBVKSMDESA-N 467.569 5.449 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccn(C(C)(C)C)n4)CCC3)cc2)c1 1792122486 BDOSYDFCCLFFQH-LJQANCHMSA-N 469.589 5.327 30 20 JKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c1 1792191265 DWTZSUNELRCYEM-UHFFFAOYSA-N 486.959 5.232 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3cc(Br)cnc13)C2 1792572602 IYLZFUNWKIKMMB-ACDBMABISA-N 484.438 5.242 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)[C@@H]2c2cccnc2)C1 1802416198 HPOHUKFNRLJMPG-RNWIMVQKSA-N 492.623 5.495 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)cc1 1803685442 VNFORWUHUDGXMI-YYGVREGISA-N 480.612 5.287 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)[C@@H]2c2cccnc2)o1 1803786708 WADPJLNFTBVFRC-XRKRLSELSA-N 489.575 5.016 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)[C@H]2c2cccnc2)o1 1803786710 WADPJLNFTBVFRC-YTMVLYRLSA-N 489.575 5.016 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(F)cc2Cl)[C@H]1c1cccnc1 1804060049 JGZCARZAHNBKSN-HYBUGGRVSA-N 472.004 5.115 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1806591161 HZGIOWRFQNXDKV-RCZVLFRGSA-N 485.550 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1807970706 JEZQGRQYRKOSGF-GHTZIAJQSA-N 482.675 5.373 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)cc1 1809619287 XDSDYGAIBVOPGY-PMPSHURLSA-N 498.671 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)[C@H]1c1cccnc1 1810502669 KIFDRICRAWEQFU-MFYODDQASA-N 453.671 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)[C@H]1c1cccnc1 1810503911 SNIIUUOLXWERFX-YKSBVNFPSA-N 494.039 5.003 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[C@@H]1c1cccnc1 1811410913 AGBDIMULVLRVKT-DCFHFQCYSA-N 489.019 5.058 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811832139 NPMMACYLQNTXJA-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1812258624 AGKDLEIUXUDLAJ-NBGIEHNGSA-N 491.035 5.595 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@H]1c1cccnc1 1813227360 COEVUNRFWKIORH-OFVILXPXSA-N 497.561 5.032 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@@H]2c2cccnc2)c1 1813867178 DMYLPJSPUFSWHG-IUBQTAPSSA-N 490.966 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)C[C@H](C)c3ccccc3)[C@@H]2c2cccnc2)c1 1813869909 UVOGYVHTZCVBBG-VHBSTZSQSA-N 480.612 5.222 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813968648 XPROBYVDUHGBFZ-UGKGYDQZSA-N 491.529 5.552 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3cccc(C)c3)[nH]n2)C1 1814393695 JPWBRFGVCIZWRX-HSZRJFAPSA-N 455.562 5.052 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)[nH]n3)c[nH]2)cc1 1816098459 RUQGRSWFTAWBDW-SANMLTNESA-N 492.583 5.134 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccncc3-c3cccc(C)c3)n[nH]2)C1 1817739054 ZYQHWQBIHGZXHV-DEOSSOPVSA-N 455.562 5.052 30 20 JKED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4c(Cl)cccc4s3)sc2C1 1818572253 UEEJIWHDXIZTDD-AWEZNQCLSA-N 490.050 5.220 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1819356674 XSBRKNKXSZGCTE-SXKZTFQGSA-N 499.640 5.521 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1 1819385154 KXDHJRXNKIDLRY-DEOSSOPVSA-N 487.680 5.315 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(F)cc3)n[nH]2)cc(C(F)(F)F)c1 1820556373 WNNHFSLAWAULLA-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)Oc2ccc3ccccc3c2)n[nH]1 1820712421 SYQPMTKAOAZOEF-DVECYGJZSA-N 490.604 5.004 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)cc1 1821179829 GATSNLYKDGVGGS-NRFANRHFSA-N 487.560 5.449 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)cc1 1821182672 WTFDZXVPEBLGKC-RUZDIDTESA-N 463.541 5.249 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)oc2ccccc12 1821274985 AFAWVNNJCQZDQS-OAQYLSRUSA-N 471.492 5.095 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3OC(F)F)n[nH]2)c1 1823265869 KYVIICUWIYOEOV-IERDGZPVSA-N 493.514 5.258 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC3CC3)c(F)c2)n[nH]1 1823319500 SDOXYKSYQLYEHV-QHCPKHFHSA-N 480.584 5.412 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC3Cc4ccccc4C3)n[nH]2)c(Cl)c1 1823558115 QRRNNVNGHOEJSC-DEOSSOPVSA-N 487.991 5.046 30 20 JKED C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1823685217 NNVNGJWODRLWND-LXFBAYGMSA-N 471.645 5.304 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1823885307 PIJXTANFQKAAKF-JOCHJYFZSA-N 474.630 5.233 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C#N)CC1)c1ccc(Cl)cc1 1824248313 SIQFOFRLZZWSME-GOTSBHOMSA-N 458.046 5.249 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1824498374 ZWXQDDYAMQOHHW-RUZDIDTESA-N 491.072 5.102 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1824511002 YNCLEOCQMYCGOO-CCLHPLFOSA-N 496.598 5.456 30 20 JKED Cc1ccc(OCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1826560762 FXJJKNVURXFZFO-SANMLTNESA-N 482.741 5.045 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1826693686 WQTHYGQNDMEHGC-RUZDIDTESA-N 465.544 5.169 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cc4ccoc4s2)CC3)c1 1827693697 RXUCOEREYAFUOU-CXAGYDPISA-N 476.583 5.117 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321275 MHYXQCCZJMLSLG-KDOFPFPSSA-N 451.057 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COCc2ccc(C)c(C)c2)CC1 1828824444 KZQFCQBNIKYWIT-KAYWLYCHSA-N 466.666 5.208 30 20 JKED CC(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)on1 1828906247 BPLARRDEQREQSH-HSZRJFAPSA-N 471.718 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 1829071972 SUQMGMKGARZERR-QFIPXVFZSA-N 461.046 5.574 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)cc1 1829181339 FYJXGMGHTYWONF-NRFANRHFSA-N 485.415 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)n2)CC1 1829243257 ODPCBZHGKCVBOW-TZIWHRDSSA-N 463.544 5.102 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)c1 1829775537 DACJFSXMNMEHTQ-QHCPKHFHSA-N 490.991 5.347 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829821265 BWHQUQBSVKJLHB-RUZDIDTESA-N 498.788 5.311 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCCC)cc2)CC1 1830104207 MVCPCETZGWHVFC-FTJBHMTQSA-N 452.639 5.477 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1830521694 DVHZACIHYTYRJM-BCHFMIIMSA-N 477.580 5.008 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)c1 1830713887 OJWRVXFADZCZAS-LZCXECNNSA-N 495.545 5.013 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1831317212 MSKDVKYIUUJAPW-AREMUKBSSA-N 499.095 5.202 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1831849939 KDAWBMSCPNKPHR-QHCPKHFHSA-N 485.550 5.290 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)CC1 1831860644 VNBJPPBMYOQZIN-JOCHJYFZSA-N 461.444 5.382 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccoc2)CC1)c1ccccc1 1832348229 RIGJVBLABABWSI-KAYWLYCHSA-N 460.618 5.029 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C(C)C)CCC3)CC2)cc1C#N 1832493680 UDNKFFDTJJCQDH-VWLOTQADSA-N 479.665 5.405 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564912 QUULRMVMLKCYTD-DYESRHJHSA-N 482.452 5.336 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccoc4cn3)CC2)c1 1832634394 QZJMIZFILNPOSK-KBMIEXCESA-N 470.573 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c1 1832635642 NFHHFLLVXZPYQD-RXFRCJIMSA-N 461.650 5.517 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)cc1C#N 1832703493 MEGXZIPQOKXWLX-OAQYLSRUSA-N 483.996 5.139 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1832747578 PZBVRCAFTDYDQW-RUZDIDTESA-N 479.665 5.098 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 8750553 IJRBQCJHLLETMH-IQMFZBJNSA-N 471.989 5.262 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nnc1-c1ccccc1 9449058 OTNYJOHYDZTVKX-UHFFFAOYSA-N 452.889 5.534 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172714 BPXVYDIVMFURJH-UHFFFAOYSA-O 461.941 5.842 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174088 BPOGGMNMBSMFGZ-UHFFFAOYSA-O 473.540 6.103 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(O)c2)cc1C 10174090 CSGXGLLIJUFLKZ-UHFFFAOYSA-O 461.485 5.246 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(O)c1)c1cccc(Cl)c1 11113212 JONYBVAKYLHVOB-UHFFFAOYSA-O 465.954 5.699 30 20 JKED CC(C)CCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2cc(Cl)ccc2c1=O 15278424 JMJAIOXYGKMUFR-UHFFFAOYSA-N 469.010 5.135 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 16457535 YIBOCVUBDXRKII-UHFFFAOYSA-N 453.951 5.184 30 20 JKED COc1cc(OC)cc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 17046058 MWHKAMCLXHRUBQ-CYBMUJFWSA-N 484.603 5.075 30 20 JKED C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nnc1-c1ccc(Cl)cc1 21333697 NZCXLBWWLKUNTO-UHFFFAOYSA-N 490.976 6.090 30 20 JKED COc1cccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)s2)c1 22362037 JTLHHFAPOHBPMX-INIZCTEOSA-N 453.593 5.026 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1[C@H]1COc2ccccc2O1 27128812 VGRRRIAZXKFTDH-HOYKHHGWSA-N 486.597 5.099 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 29202713 DOGWBIPDTDVTLR-UHFFFAOYSA-N 454.534 5.239 30 20 JKED C=CCn1c(SCc2noc(C3CC3)n2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 72016153 OIJPKGDKBRUWEO-UHFFFAOYSA-N 480.597 6.207 30 20 JKED CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 107647884 MTVWUJCIZIWQPM-CYFREDJKSA-N 481.930 5.667 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 109413741 BXDKRUGRRQGMFR-UHFFFAOYSA-N 460.537 5.869 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 110942933 WLTFNYPOSDWUCJ-UHFFFAOYSA-N 491.595 5.225 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)c1oc2ccccc2c1C 409473420 DJAOBPOMWBFBBJ-CQSZACIVSA-N 457.324 5.030 30 20 JKED CC(C)COc1ccc(C(C)(C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 410046756 OWSAXHXEILIMAY-UHFFFAOYSA-N 476.577 5.109 30 20 JKED C=CCn1c(SCCCS(C)(=O)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 483093416 ZTEXNGHOEUZUHO-UHFFFAOYSA-N 478.643 5.182 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 485770942 KLCHBJONABFLPF-ZDUSSCGKSA-N 494.407 5.281 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 490648355 JXVPLMAGTMTRRZ-UHFFFAOYSA-N 497.576 5.385 30 20 JKED C=CCN(C(=O)Cc1cc(Cl)ccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 498311646 QXYXUCPAQBVFNI-UHFFFAOYSA-N 481.426 5.282 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 498378561 VPHGRBOWCJDHEA-UHFFFAOYSA-N 479.945 5.334 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc1C 500047399 IJFKNSKBMPDPLH-UHFFFAOYSA-N 453.424 5.493 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 501773603 DSAATJJACPGQOP-UHFFFAOYSA-N 480.334 5.084 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3csc(I)c3)c2)cc1 503174119 APEICGOSSMPZDY-UHFFFAOYSA-N 474.323 5.250 30 20 JKED CN(CCc1ccc(F)cc1)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 503933733 WIXDWRUQCDMPEO-UHFFFAOYSA-N 453.354 5.023 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 507908063 YNNDUSWTNSCBAI-UHFFFAOYSA-N 468.534 5.577 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnc1-c1cccc(C)c1 507908747 NWYMOQCNXBGCIT-UHFFFAOYSA-N 469.570 5.668 30 20 JKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 508261534 BCSLINZWIDWYIB-MRXNPFEDSA-N 452.605 5.164 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)s2)cc1 510638794 TWKNSDSXLZLHLT-LJQANCHMSA-N 488.548 5.206 30 20 JKED CCCN(CC)Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510895781 IVMNQKBQNONHHG-UHFFFAOYSA-N 451.621 5.186 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(OC)cc34)CC2)cc1 511008859 GKUCPRBSVWUHMD-UHFFFAOYSA-N 472.589 5.402 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cc(F)ccc3Br)c2)c1 511455561 ICAIHOGZTDMXCP-UHFFFAOYSA-N 467.298 5.034 30 20 JKED Cn1c([C@H](C#N)C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)nc2ccccc21 513687298 PSBQPISYIVHGGJ-HXUWFJFHSA-N 487.357 5.007 30 20 JKED COc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc(OC)c1OCc1ccccc1 515689943 RHQNADAKDAKFRJ-UHFFFAOYSA-N 470.550 6.135 30 20 JKED COc1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 515965795 QBXFVECBMLLJSY-XMMPIXPASA-N 473.960 5.134 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@H]2CCCc3ccccc32)c1 516389794 OEDVVQOOTKNUCJ-OAQYLSRUSA-N 455.583 5.139 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(CCc1ccccc1)Cc1ccccc1 518154737 DZMHPRXQZKPGBZ-OAQYLSRUSA-N 457.599 5.148 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCSc4ccccc43)cc2Cl)cc1 518463297 WVRVYRCSWNTWQI-HXUWFJFHSA-N 463.946 5.296 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCOc1ccc(I)cc1 518740038 FBNMLFYULCVWHN-OAHLLOKOSA-N 480.371 5.483 30 20 JKED Cc1occc1C(=O)Nc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1F 518771950 ACNXKBGRPVVCTI-UHFFFAOYSA-N 485.540 6.396 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1OC 518871004 PRTVVXCTIXEBCX-ZDUSSCGKSA-N 483.521 5.719 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc(-c2c(F)cccc2F)cs1 518871069 SXISSZIIMQPEPU-CYBMUJFWSA-N 485.313 5.731 30 20 JKED N#C[C@H](NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(OCc2ccccc2)cc1 519130399 MZKCBPAVHSBVCM-QHCPKHFHSA-N 483.549 5.041 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1Cl 519413181 GWEDGIGJMBONSA-ZDUSSCGKSA-N 490.079 6.226 30 20 JKED CCOCCOc1c(Cl)cccc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 521106902 KZBMMWUTLFBNMZ-HNNXBMFYSA-N 462.015 5.396 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccc2ncccc2c1 521812053 FAZZEWRMXOSCBI-LJQANCHMSA-N 470.945 5.391 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 521834774 BJWGBYYIUBLIBR-UHFFFAOYSA-N 456.262 5.316 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 523601472 KUIHBPMUKZDFTH-UHFFFAOYSA-N 482.515 5.455 30 20 JKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(OC)c1Br 524389097 PMRXPUDPKZFKEX-UHFFFAOYSA-N 481.346 5.478 30 20 JKED Cc1c(Cl)cccc1-n1c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccncc1 589710804 JXKFIMCRLQRULM-QFIPXVFZSA-N 486.988 5.060 30 20 JKED Cc1ccccc1-n1c(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccnc1 589938860 ABQBUYQSVIFESY-UHFFFAOYSA-N 474.977 5.284 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 590234889 MPGPAKKKECXVDG-UHFFFAOYSA-N 458.337 5.574 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 591115447 AMIQSRYJOAMDTB-UHFFFAOYSA-N 492.406 5.444 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c12 603764257 JRRFSNZAGPJROW-UHFFFAOYSA-N 466.545 5.683 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 603917253 JFYBMWJGRLYQFX-ROUUACIJSA-N 499.665 6.096 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CSc3nnc(-c4ccc5ccccc5c4)o3)s2)cc1 603953569 RLGBNPFASQKQPW-UHFFFAOYSA-N 483.578 5.540 30 20 JKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cn2)cc1 603988451 WEPSSIXYWKHENJ-UHFFFAOYSA-N 453.829 5.219 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)c2)c1 603995709 WDFBUUVBNVLOQY-UHFFFAOYSA-N 486.984 5.692 30 20 JKED COC(=O)c1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)oc1C 604088142 FNWDSMYKEMJAHD-UHFFFAOYSA-N 453.882 5.356 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3nccnc3-c3nc4ccccc4s3)s2)cc1 604514875 MNIFZXDZWAUNMX-UHFFFAOYSA-N 487.595 5.021 30 20 JKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 604519955 ULKWZVMPJFSQFB-RPLLCQBOSA-N 456.611 6.090 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc(-c4cccs4)no3)cc2Cl)c1 609062406 PBZTXOFHZOLSDW-UHFFFAOYSA-N 478.961 5.864 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OC 609378529 NJNVWWHGXZFXPF-UHFFFAOYSA-N 469.441 5.279 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 609428502 QUSTXDMDELYCTR-SFHVURJKSA-N 465.600 5.158 30 20 JKED COc1ccc([C@@H](NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2)cc1 619670492 VCALNWDMIGYUDN-QXOCSCLMSA-N 492.435 6.132 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)C[C@H](C)O1 726077829 ZHNYCSDDAUYDNE-SFTDATJTSA-N 472.564 5.545 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cccc(COC(C)(C)C)c2)C1=O 726106674 RXRHMCBABQPBRA-FQEVSTJZSA-N 492.016 5.062 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(C)C)C2=O)c(OC)c1 726416664 YZRFHKDZHJHZPH-HSZRJFAPSA-N 499.633 5.107 30 20 JKED C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=S)Nc1ccc(C#N)c(Cl)c1 726443934 KBJGRJLTLOSXGI-OAHLLOKOSA-N 460.455 6.757 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc1-c1cccc(Cl)c1 726733587 ZNCOMFAHILPBQN-HNNXBMFYSA-N 463.773 6.645 30 20 JKED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 727150289 ZPUKSVCELNJKBU-NRFANRHFSA-N 455.580 5.244 30 20 JKED CCOC(=O)Nc1ccc2c(CNc3ccc(OCc4cccc(C#N)c4)cc3)cc(=O)oc2c1 728061927 BKIVDUAMFKHABZ-UHFFFAOYSA-N 469.497 5.424 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 728125062 QLIPIBJWUSACOC-UHFFFAOYSA-N 477.527 5.549 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)c1 728185351 KYJLCJMLWYMOCE-OWBHPGMISA-N 482.536 5.700 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cccc(C(=O)N(C)C)c1 728459756 CCBMGWQAYMXMDN-QHCPKHFHSA-N 488.569 5.223 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 729144060 ALYGNVYZLPDFDC-LJQANCHMSA-N 496.017 5.137 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccccc1 730719816 DORAFCKHCGXRLA-SFHVURJKSA-N 475.357 5.142 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730944551 YBVTWMHGWWKOLK-RDPSFJRHSA-N 472.614 5.098 30 20 JKED CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 730993856 DMXQPPHZOMWKOI-UHFFFAOYSA-N 462.902 5.020 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1Cc1ccc(Br)cc1 731031576 YDDHMUOPTREJEP-XLIONFOSSA-N 472.452 5.489 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Br)ccc1Cl 731062814 LKRIRUANFLXXPL-GFCCVEGCSA-N 467.772 5.150 30 20 JKED Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731077296 LSMZYBODVQIFKI-HNNXBMFYSA-N 451.573 5.166 30 20 JKED C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731079057 ARDJDUHGECYPBZ-KGLIPLIRSA-N 467.374 5.194 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1 731305154 HTKZSGTVUAAYKH-OAQYLSRUSA-N 465.600 5.177 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cscn3)C2=O)cc1Cl 747600556 BRXOCLSJADKLPM-FQEVSTJZSA-N 496.017 5.137 30 20 JKED N#CCCn1cc(C(=O)COC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c2ccccc21 775183381 LCSLFIKBBJLNGB-SANMLTNESA-N 454.551 5.814 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CC(F)(F)F)C2=O)c1 799209975 KLSWJHUMFRUPBD-OAQYLSRUSA-N 485.531 5.979 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 825131365 YNMQTTQCMJBCQV-UHFFFAOYSA-N 464.978 5.581 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837359579 HMDQJXJJLMAQNZ-QRQCRPRQSA-N 496.539 5.090 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N(C)C(C)C)ccc1Cl 875112289 JCAGCTYJUAUKHL-UHFFFAOYSA-N 474.932 5.221 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 899998055 BTSCRPLJOYDKCU-UHFFFAOYSA-N 487.512 5.559 30 20 JKED Cc1cccc(OCc2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)c1 914526194 MWJJPCJOAFHBFI-GOSISDBHSA-N 462.556 5.049 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H](C)Cc3ccco3)C2=O)cc1 914692178 WWZXYYVVAZJGBS-HJPURHCSSA-N 493.560 5.213 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc(Br)s2)o1 915057388 WETPVTSNLQOJPX-UHFFFAOYSA-N 474.409 5.221 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915087037 OWCUKBFZPRDITQ-MUUNZHRXSA-N 495.604 5.810 30 20 JKED C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915087350 SFHKGFYIHXSDLI-FQRUVTKNSA-N 473.598 5.157 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)/C(=C/c3cccs3)n3nnnc3-c3ccccc3)cn2)c1 915175140 NIBDVVAPTHUSGJ-HAHDFKILSA-N 491.536 5.097 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915199820 MXPKXYOHAPCMLY-JWQCQUIFSA-N 457.599 5.141 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 915352305 GWAVFGZUXPBNEL-XMMPIXPASA-N 450.498 5.509 30 20 JKED C=CCOc1c(Br)cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1OCC 915848990 HNYGYGUMWVBOLX-CPNJWEJPSA-N 487.419 5.921 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(C[C@H]2CCCO2)C1=O 916207257 DMYQYGRLWXLWHW-HYBUGGRVSA-N 495.645 5.232 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 916212237 UNNVDTYAZFAIDY-LJQANCHMSA-N 481.952 5.005 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cccnc1)CCCCC3 916272616 FDSVTRYBPVPBOC-UHFFFAOYSA-N 480.597 5.165 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=Nn1c(S)nnc1-c1ccccc1 916307974 WKTRVMUCFJJCNY-UHFFFAOYSA-N 490.548 5.075 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccccc1Br 916349919 ZFQCMUJHFLXMBC-UHFFFAOYSA-N 491.777 5.165 30 20 JKED C=CCn1c(SCC(=O)OC[C@H]2CC2(Cl)Cl)nnc1-c1ccc(Cl)cc1Cl 916424441 HEAHJICUOOPMIN-SNVBAGLBSA-N 467.205 5.267 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccccc1Cl 916910877 JSCBDICDROBWPJ-HXUWFJFHSA-N 459.908 5.908 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927743 CKHQFLAIJFSIRJ-CQSZACIVSA-N 472.191 5.337 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916930592 DMPLOJHJZQORFL-HNNXBMFYSA-N 462.333 5.449 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)n2)cc1 916972087 KHUSSQHLHJBMQD-DQEYMECFSA-N 495.604 5.833 30 20 JKED C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975474 CQYLRXJEQNKEQT-ZWNOBZJWSA-N 494.823 5.282 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043824 PHYISFVBTJBLBL-HNNXBMFYSA-N 461.465 6.152 30 20 JKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 917262159 NQAFIPJHWSHFPX-RUZDIDTESA-N 460.555 5.032 30 20 JKED C=CCN(C(=O)/C=C\c1ccc(Cl)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 917369377 DXLFKKNALVZCIW-MLPAPPSSSA-N 458.992 5.099 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2cccc(Cl)c2C)n1 917666473 UMEDZJMIPIKVIM-HSZRJFAPSA-N 493.032 5.190 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccc(C)s1 917695201 VZXWIRYDNNWHKO-QFIPXVFZSA-N 495.626 5.234 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2occc2CSc2ccccc2)cc1 917805154 NUBNDKVCWVZOJX-SLEBQGDGSA-N 497.642 5.417 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 919195299 CJUVXYMIBSOBJX-IBGZPJMESA-N 487.604 5.173 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 919665771 DUXKECXTJFBMRT-LJQANCHMSA-N 469.324 5.542 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 920105303 AWFMNFBXAZSHBQ-SJLPKXTDSA-N 482.367 5.227 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H]2CCc3cc(C)ccc32)C1=O 920169918 JICIBFXGMXJMDK-RBUKOAKNSA-N 475.586 5.065 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCCCC2)cc1 920198344 VOPNIHXPLVNRIZ-SANMLTNESA-N 469.560 5.438 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 920353154 BWZNQMAYBWFBPX-QHCPKHFHSA-N 492.601 5.077 30 20 JKED C=CCN1C(=O)N[C@@H](c2cc(C)c(OC)c(C)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 920353371 IEIINVNRWHUGEQ-NRFANRHFSA-N 473.495 5.496 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1cc(O)ccc1C 920483421 KAUHOSYZTCNCRL-UHFFFAOYSA-O 490.649 5.725 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc2ccccc12 920866405 AZHDYTBQTMCDBN-KOSHJBKYSA-N 491.613 5.091 30 20 JKED Cc1cccnc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1786798877 QVPFFLXZEXKRPX-UHFFFAOYSA-N 472.976 5.296 30 20 JKED O=C(Cc1ccc2ccccc2c1)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1787701915 AQMHVYZUOQJGQP-NDZAJKAJSA-N 465.553 5.229 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)cc3)CCC2)C1 1787948831 WXSIAHYLXDKRGS-RNXOBYDBSA-N 455.602 5.465 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1 1788877483 XZEGXYZVEZOACM-GOSISDBHSA-N 487.984 5.150 30 20 JKED CC(C)(C)c1cnc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)cn1 1788881530 BJXDBIQAMITTHD-UHFFFAOYSA-N 481.600 5.026 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4)cc3)CCC2)ccc1F 1789049225 DVNRKMWBLUMVIU-UHFFFAOYSA-N 467.500 5.434 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@H](C)CN3C(=O)OCc3ccccc3)cc2)CCC1 1789215900 HKXBMXXHWDLKQR-OFVILXPXSA-N 489.616 5.134 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)cc5[nH]ncc45)cc3)CCC2)C1 1789340723 CBENJRUUXCYIGT-UHFFFAOYSA-N 479.378 5.039 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4F)cc3)CCC2)cc1 1790069123 QAAMKXSCYIAKQD-UHFFFAOYSA-N 466.516 5.169 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)CCC3)cc2)c1 1790257268 QIPXRYHZTWPAHH-CCDWMCETSA-N 465.578 5.194 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1 1790519498 DMUPPMAEVDIUSW-HXUWFJFHSA-N 491.579 5.025 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790706631 MJUPXLVQLKJZAK-VHEBQXMUSA-N 453.542 5.505 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791302553 SBUCVCDQKKLJQD-PMACEKPBSA-N 491.579 5.025 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791583634 SXNFYOKUZWHIQY-JOCHJYFZSA-N 495.664 5.351 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)CCC2)cc1 1791731780 IWAYTTNBYOSIPU-TZRRMPRUSA-N 493.648 5.102 30 20 JKED COc1cc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)ccn1 1792123113 JOPSXHGKGHLLJA-FQEVSTJZSA-N 482.584 5.098 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](C)c2ccc(Cl)cc2)cc1C#N 1792822953 RREXILGUEGUNTJ-ZFWPHHPHSA-N 480.008 5.054 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 1795588596 ORKSQHQSFZKXLB-ADYITMSISA-N 499.438 5.208 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1Cl 1795836713 TXVNTKMHVDZRIR-JGPRNRPPSA-N 474.804 5.092 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3cccc(C(F)(F)F)c3)[nH]n1)C2 1798332772 DXNVRVXSJCVMCD-PLACYPQZSA-N 486.538 5.116 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1NC(=O)OC(C)(C)C 1800512267 AMJMOVRRAVFPEG-WOZUAGRISA-N 467.610 5.054 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C3)c(Cl)c1 1800691631 KFSHFSHKOLTQSB-MUJYYYPQSA-N 496.316 5.449 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3sc4ccccc4c3Cl)[C@@H]2c2cccnc2)C1 1802407183 LNSMYMAXIUJRQO-VGOFRKELSA-N 466.006 5.236 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1803565096 DLIJXVAZYZVIGP-MXBOTTGLSA-N 499.655 5.165 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)cc2)c1 1803832448 BUIXJSDONYCRAB-MDPVMDPHSA-N 463.581 5.546 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CC2)C1 1804865559 YQVDENNZHTUQLO-UHFFFAOYSA-N 488.632 5.660 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#Cc2ccc(Cl)cc2)[C@H]1c1cccnc1)c1cccc2ccccc12 1808976581 QPVJOJGTCSQYMP-GIGWZHCTSA-N 493.994 5.260 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809442646 ANXOFQLFDFWPEA-KBMIEXCESA-N 480.033 5.463 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1809672039 JGESUWVHFRYYEM-AJTFRIOCSA-N 489.019 5.105 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1810172924 CTEVSHPVTWIJCV-GWJPWWOOSA-N 490.406 5.616 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1810272920 UEAQODYMFGLNKS-IXCJQBJRSA-N 487.720 5.330 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1810277780 UWOGTADOSFMTDV-ICCROSPGSA-N 495.784 5.601 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1810759588 UKCYYDHYSODBTD-WWNPGLIZSA-N 487.522 5.068 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)cn3ccccc23)[C@@H]1c1cccnc1 1811342477 LTRNQULIJUVALD-QCDSWUKFSA-N 490.607 5.124 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1811831519 GUDYUCMCTLRSLJ-UGKGYDQZSA-N 474.432 5.700 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1813219342 SUAGNQQILAFZTH-WQOITCGXSA-N 491.635 5.088 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)s1 1813369800 AVLFIRUNSAYZNW-DPTRUDLKSA-N 491.016 5.010 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c1Cl 1813862053 UKVHRGRJZNOOST-GAJHUEQPSA-N 497.357 5.033 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1)c1ccccc1 1814378089 GYXCTNLVOVXWNY-ZCYQVOJMSA-N 469.589 5.100 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)C#N)n[nH]1)c1ccc(Cl)cc1 1814570829 WRZIEHKMTJTOIL-PZJWPPBQSA-N 455.990 5.045 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)cc1Cl 1814590804 VUPNNFCQTRZJLV-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(F)c(F)c2)n[nH]1 1814660908 DCFMZVVSBNBRKR-AVRDEDQJSA-N 456.537 5.081 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(F)c(F)c2)n[nH]1 1814660920 DCFMZVVSBNBRKR-XMSQKQJNSA-N 456.537 5.081 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)[nH]n2)c(O)n1 1816242072 XOSAOGFJWQIPGO-NTKDMRAZSA-N 487.604 5.129 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1Cl 1818114404 YLUROGGVXUCSJB-JBVUFVISSA-N 482.993 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)[nH]n1 1819302719 KPRCMQJCHJDCHF-CIRHMYPESA-N 454.521 5.162 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)[nH]n1 1819303955 URFMSURANUEMCB-UNMCSNQZSA-N 473.577 5.447 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccn3c2)[nH]n1)c1ccccc1 1819518715 YONNGMKUWCVYLM-JTHBVZDNSA-N 485.613 5.227 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)ccn1 1819756673 VGUJYKQGJVVIHS-MHZLTWQESA-N 489.579 5.133 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1 1821279447 CGDTWUFNOKGKAW-JOCHJYFZSA-N 494.020 5.205 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4c(Cl)ccnc4c3)n[nH]2)c1 1821385702 UJVHYBDAYGDESU-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCC4)[nH]n2)c1 1823211923 PLUFTNRHQJTSIY-NIYFSFCBSA-N 481.600 5.074 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)[nH]n2)c1 1823217426 SHZDKOXDMRTXQU-SBUREZEXSA-N 467.529 5.403 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1823251640 KEDBZUTUTCOFLU-SFHVURJKSA-N 498.370 5.216 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)ccc(Cl)c2F)n[nH]1 1823275174 BRYKFLOFQOYKDP-KDOFPFPSSA-N 462.928 5.416 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823291870 AIYGXHQECNDHTK-JOCHJYFZSA-N 477.609 5.367 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3F)n[nH]2)cc1 1823295662 WGJILVNOPMUDOW-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(-c5nccs5)noc4c3)CC2)C1 1823700704 WCPHDFHCNIMJSE-JOCHJYFZSA-N 490.629 5.151 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)c1 1824051834 XWEILCYADUHUAT-QHCPKHFHSA-N 499.442 5.126 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)CC1 1824774346 SBOHANQSFIZJRU-SANMLTNESA-N 461.650 5.389 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cnc2C)CC1 1825448456 HHQSIHKUWCNDDR-JOCHJYFZSA-N 490.486 5.378 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826439268 QBDWGHMFQPEXMT-QPPBQGQZSA-N 493.475 5.760 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)CC2)c1 1828047339 DEPCKPAGRKOWED-NFQMXDRXSA-N 468.601 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 1828822748 ALNPPSYPJOJQFG-VEYUFSJPSA-N 452.614 5.317 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cnc2OCC)CC1 1828826619 JFVJTJAUOPBILE-GGAORHGYSA-N 474.045 5.135 30 20 JKED O=C(c1cc2c(Cl)cccc2s1)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828998093 USQZOBCEANKWAS-MGZHSMRGSA-N 498.048 5.500 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2c(C)cccc2C)CC1)C(F)(F)F 1829099136 BQZRAGPOCBMSLO-HXUWFJFHSA-N 468.585 5.134 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1829520254 GJGXCRBZNVUODK-MUUNZHRXSA-N 478.596 5.167 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccs3)CC2)c1Cl 1829687645 DHAWPANADFGKLG-JOCHJYFZSA-N 470.038 5.139 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1829957562 YANRUQQVULPMMP-OAQYLSRUSA-N 471.935 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCn2c(O)nc3ccccc32)CC1 1830145440 VWSNHXWENKKHJZ-DEOSSOPVSA-N 494.680 5.134 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1830414226 JFRSNNDXGLSXPS-UTKZUKDTSA-N 473.614 5.075 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1830421900 PHSRIAAJYPJSNB-VFNWGFHPSA-N 486.415 5.167 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)ccc1Br 1830687315 TUWFQSLLMSCCBP-HSZRJFAPSA-N 498.465 5.134 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c1 1830718234 CWPCHKJGQFZYLK-PPJWLVRDSA-N 494.010 5.388 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3scnc3C3CC3)CC2)c(Cl)c1 1830720121 ANMVSVGJXLAYDY-NRFANRHFSA-N 483.037 5.093 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)c(Cl)c1 1830722539 MNYFQCNFIFDFQS-VWLOTQADSA-N 492.982 5.379 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830735410 HMOHGBOLGJGKBB-GOSISDBHSA-N 477.354 5.577 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)CC2)C1 1830782768 HXDOUTIZMFDADE-QHCPKHFHSA-N 493.475 5.980 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2O)CC1 1830952532 XMSBGKUTRFQAHC-QHCPKHFHSA-N 450.579 5.140 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831017790 LPKWUOBHGAQGEX-QHCPKHFHSA-N 472.054 5.041 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)CC1 1831293180 RPEFPCZTWVEXFH-DEOSSOPVSA-N 473.057 5.279 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1)C(F)(F)F 1831453157 UDVZHQZJIGBNLB-BDKRGJGYSA-N 454.577 5.331 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1832028545 WFGNODIUXQCPSF-MHZLTWQESA-N 487.644 5.184 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)c3cccs3)CC2)cc1C#N 1832146956 FYQCIBSITXNEOW-YKSBVNFPSA-N 493.673 5.444 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1832634310 UPNLTMYHKJIOFW-UQBPGWFLSA-N 497.561 5.880 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)CC1 1838375853 UTWSXFCWMNKBNS-JTAQYXEDSA-N 484.603 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)CC1 1838423903 OHCKCLBNVQYRLP-UHFFFAOYSA-N 465.009 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC[C@@]13CN(Cc1ccccc1)C[C@@H]3C)C2 1844355345 DFQFXTMQKYNQOM-NLVXVLGSSA-N 491.720 5.121 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(Cl)cc1Cl 9826184 BHRJHKJKIHEQKM-UHFFFAOYSA-N 461.418 6.292 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 11247685 GAWHUXBXEVKVEF-UHFFFAOYSA-O 454.305 5.316 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 12105659 WITWUHUSLWPVRZ-UHFFFAOYSA-N 471.611 5.205 30 20 JKED CC(C)Cn1c(SC[C@@H](O)COc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 15244644 CSXVUBPTBLRHCE-KRWDZBQOSA-N 477.417 5.312 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccccc3Br)o2)c1C#N 18951310 IMZKLTOLXKXEQY-UHFFFAOYSA-N 452.337 5.157 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)nc2ccccc2c1=O 21175430 FVTXEJUIEUXHAZ-UHFFFAOYSA-N 493.013 5.493 30 20 JKED Cc1ccc(Cn2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)cc1 21176581 ZOLPQJSUJUERQM-UHFFFAOYSA-N 486.622 5.100 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)n(Cc2ccccc2)c1C 21740899 KRQSPWJLBNOLEC-UHFFFAOYSA-N 496.640 5.273 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nnc1-c1ccc(F)cc1 22206208 JJDHKQUVSGKWPF-UHFFFAOYSA-N 475.574 5.528 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1ccccc1Br 22695148 LKRHAYGWNOBMHB-UHFFFAOYSA-O 497.221 5.800 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1 23608216 SWSXLOFLGPIEOM-LJQANCHMSA-N 478.643 5.652 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nnc1-c1cccc(C)c1 24293554 QKNMWXFEGUTBIC-FQEVSTJZSA-N 489.626 5.564 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(C3SCCS3)cc2)n(Cc2ccccc2)c1C 25809837 TVDWTIYGWLEZIE-UHFFFAOYSA-N 491.638 5.299 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2cc(-c3ccccc3)sc2c1=O 26620487 LUGVPRHJZQQGFB-AWEZNQCLSA-N 478.624 6.276 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccccc1 26983575 DIYXGGYDEHWPFI-DEOSSOPVSA-N 487.581 5.488 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 29200854 YJPLHZDPICMJNR-UHFFFAOYSA-N 457.559 5.415 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 108692539 IMRFFUMJFMMKAP-UHFFFAOYSA-N 476.536 6.228 30 20 JKED CC(C)[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)n1nnc(-c2ccccc2)n1 195652834 YJNDXNAIGNFOGS-QUCCMNQESA-N 462.966 5.191 30 20 JKED CC(C)c1ccc(CSc2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)s2)cc1 253608546 QBVIOZZFCXADBX-UHFFFAOYSA-N 475.064 6.210 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1C 255080149 YEGDNRIXWAQBDK-OAQYLSRUSA-N 451.523 5.196 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(F)cc2Cl)nnc1-c1ccc(Cl)cc1 409979956 MLZZWOWALALEMX-UHFFFAOYSA-N 465.381 5.328 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3cccs3)cc2F)c1 481030274 AKLOOKQDBKQXTN-UHFFFAOYSA-N 489.528 5.098 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(NC(=O)C2CC2)cc1 481596207 LICJYHNUHKSTDK-QGZVFWFLSA-N 472.520 5.508 30 20 JKED N#CC1CCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)CC1 490042539 WPAIXNRVEUIJPX-UHFFFAOYSA-N 494.016 5.111 30 20 JKED CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 494589052 ZLPGUESFKWRINM-UHFFFAOYSA-N 455.923 5.153 30 20 JKED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 504912949 ADHZTYLIVIUFBQ-CQSZACIVSA-N 472.332 5.040 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc1 505791726 ZNAKJXOGCUVCAG-UHFFFAOYSA-N 471.969 6.944 30 20 JKED COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 506315776 RDUQXZOCWWRDEB-NRFANRHFSA-N 456.546 5.316 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)N2CCCC2)c1 508305062 WFLJFEUMVQXISF-RUZDIDTESA-N 486.572 5.326 30 20 JKED C=CCOc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3I)cc2)c1 509071363 SVYAJIKXTCPFDJ-UHFFFAOYSA-N 498.320 5.361 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCN(Cc4ccc(Cl)s4)CC3)c2)cc1 509914089 SMLUGRPUSXXHPK-UHFFFAOYSA-N 481.021 5.396 30 20 JKED N#Cc1cccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)c1 509980799 CFKFZBDBDZBDMW-UHFFFAOYSA-N 498.395 5.173 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 510226444 DSHDEQDKBHLHIQ-INIZCTEOSA-N 498.608 6.065 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 510250727 FHHJDFAAIDGJJF-UHFFFAOYSA-N 480.307 5.317 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 510583016 FYJKPKKCBDOGPD-HXUWFJFHSA-N 497.418 5.746 30 20 JKED Cc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)N2CCOCC2)cc1 510652768 YFFPJQIWSGRVPW-MHZLTWQESA-N 470.573 5.162 30 20 JKED COc1ccc(-n2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)n2)cc1 512485358 SQLGOGAJQNZTEY-KRWDZBQOSA-N 469.353 5.801 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 515370859 GQSIRIBZGIUYAN-UHFFFAOYSA-N 478.946 5.527 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@H](C(=O)NCc3ccccc3)c3ccccc3)c2)cc1 515526753 MGFXMEJSBQUIHN-LJAQVGFWSA-N 461.565 5.801 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1OC(F)F 515895217 CGMBSGQUQVGSTH-CQSZACIVSA-N 484.343 5.532 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 515923308 FKGQAMFLAZUFNA-SECBINFHSA-N 494.342 5.285 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)n2)cc1 517800879 MUHOGNRFGAGTCC-LJQANCHMSA-N 457.559 5.512 30 20 JKED COCCOc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 518184347 BUJGVKASTRHQCR-UHFFFAOYSA-N 451.910 5.351 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NCC(=O)Nc1ccccc1SCC#N 521149268 JSDSOMMLFZPQQS-UHFFFAOYSA-N 451.523 5.080 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 521185238 HHTYDDQXLBWFPK-UHFFFAOYSA-N 453.467 5.546 30 20 JKED C=CCN(C(=O)c1cc2sccc2s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 521194033 LOEDGBVWFOBUIW-UHFFFAOYSA-N 460.627 5.323 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 521739681 YUJFBIUPEQWUOK-SFHVURJKSA-N 481.927 5.667 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(COc4ccccc4)cc3)cc2)c1 521805324 AEUORABGLIPMRA-UHFFFAOYSA-N 477.520 5.184 30 20 JKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc4c(c2)OCO4)CC3)n(CCC#N)n1 522133840 XDMGOJIWQVMONC-RGEXLXHISA-N 477.524 5.121 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1 523273506 MVZVETJUPWUPQE-UHFFFAOYSA-N 461.493 5.640 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 523944777 VVZWFNBYNDWFFL-UHFFFAOYSA-N 471.900 5.888 30 20 JKED Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523965392 AOUKIYTXOQWBHU-QFIPXVFZSA-N 459.977 5.336 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 524044731 CSBOYSCVXGIICF-UHFFFAOYSA-N 473.023 5.808 30 20 JKED COc1ccccc1Nc1nc2sc(C(=O)N3CCCN(c4ccccc4C#N)CC3)cc2s1 524191502 WOGDISKLRLEEEH-UHFFFAOYSA-N 489.626 5.334 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)[C@H](C)c1cccc(-n2cnnn2)c1 524616702 UCKWISNWOIKQCZ-CQSZACIVSA-N 485.400 5.482 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)N1CCCCC1 554865848 SCWLYWAINLGXPZ-OAQYLSRUSA-N 489.597 5.090 30 20 JKED C=CCOc1c(Br)cc(CNCCc2coc(-c3ccc(F)cc3)n2)cc1OC 591717594 YDNKCNFNOPEEFB-UHFFFAOYSA-N 461.331 5.149 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1cnn(-c2ncccc2Cl)c1C(F)F 593634383 ZOGHHZUXTRJRJR-UHFFFAOYSA-N 454.889 5.572 30 20 JKED C=CCN(C(=O)c1oc2ccccc2c1CSC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459303 MUHKOHPVSSVRTB-UHFFFAOYSA-N 465.556 6.160 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1 603569956 LQAXQLJMLPLDBW-UHFFFAOYSA-N 481.566 5.061 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 604502487 WQBBPHZBKWZKJV-UHFFFAOYSA-N 462.937 5.144 30 20 JKED N#Cc1ccccc1CSCCNC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608841881 VTCWEGYCDKNGOL-LJQANCHMSA-N 482.009 5.084 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3c4c(nc5ccccc35)/C(=C/c3ccco3)CCC4)CC2)nc1 608951178 WHULZAFUXUROJM-HEHNFIMWSA-N 489.579 5.370 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609061639 RGKMJRARIDLRSU-AREMUKBSSA-N 483.568 5.088 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2 609061848 ZJABITGTUZYAFQ-UHFFFAOYSA-N 469.541 5.128 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 609078591 BDDOOPDQJQUPJN-UIOOFZCWSA-N 459.521 5.627 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2F)c1 609106008 HDXLNUMSGOTQPV-UHFFFAOYSA-N 489.572 5.243 30 20 JKED COC(=O)c1sc2ccccc2c1CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 609120112 LEJGTONIFDHNAZ-UHFFFAOYSA-N 472.570 5.012 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 609184588 IINWFUWJBDEPJH-UHFFFAOYSA-N 485.609 5.281 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609429521 IQZMQHACVNMQIA-XMMPIXPASA-N 459.571 5.149 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c(C)c1 613041605 RTFXRYOIEFYIID-SANMLTNESA-N 486.015 6.739 30 20 JKED Cn1cc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cs2)cn1 613344230 BVPQVJKWYMCPFU-ZDUSSCGKSA-N 460.371 5.464 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCC[C@@H](OCC(F)(F)F)C1 614848407 DYOZYPYGUKEEPT-CYBMUJFWSA-N 489.338 5.093 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(Br)cc3)n2)nnc1-c1ccco1 638643676 BOKWZCQVPKATRP-UHFFFAOYSA-N 459.394 5.902 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 642156989 DKSLBAJGIOPDLV-HUUCEWRRSA-N 475.395 6.543 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2N(C)C(=O)c2cccs2)cc1 725722513 MLRIQTNTAFLMKD-UHFFFAOYSA-N 483.549 5.950 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCC4)CC3)n2)cc1 726325608 RRWYHUNLELISOQ-AOMIVXANSA-N 465.619 5.250 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC)c(F)c3)N(Cc3ccsc3)C2=O)c1 726415965 MGQMADOPWPFEBX-NRFANRHFSA-N 499.589 5.065 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)NCc2cccc(C(F)(F)F)c2)[n+]2cccc(C)c2)C=C1 726570057 JDPNMOVGYKPGDN-UHFFFAOYSA-O 486.539 5.073 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cccc(C)c2)c1 726573046 XPKVYYHAXNYHLU-UHFFFAOYSA-O 470.618 5.384 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccc(CC)cc2)c1 726574002 WXTQBMKSEIRMJL-UHFFFAOYSA-O 454.402 6.148 30 20 JKED O=C(/C=C\c1cnc(N2CCOCC2)s1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 727974713 MWZLXQIKMVXCJW-WAYWQWQTSA-N 450.507 5.623 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3Cc3ccc(Br)cc3)o2)cc1 728020895 GKFNDSQIPSQTLD-HXUWFJFHSA-N 465.347 5.340 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 728136563 WTFUCZISFHYMRC-QFIPXVFZSA-N 483.540 5.264 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2C2CCC2)c1 728191745 PLQYMADAKMJBJQ-JOCHJYFZSA-N 489.037 5.135 30 20 JKED Cc1ccc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4cc(Br)ccc43)c2C)cc1F 728704683 IULCUYFGWJSMLU-UHFFFAOYSA-N 492.348 5.374 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1scnc1C 729145970 NQEUOYVBCSRTLG-HXUWFJFHSA-N 482.606 5.314 30 20 JKED N#CCOc1ccc(COc2cc(OCc3ccc(OCC#N)cc3)c(Cl)cc2Cl)cc1 729240910 VKABUOOQNAMEIJ-UHFFFAOYSA-N 469.324 5.956 30 20 JKED CCOc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2cccc(OC)c2)cc1 729241391 ZKVIZCQCMLAOEB-UHFFFAOYSA-N 472.570 5.536 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1c(C)noc1C 730442045 PNOJKCRAHIZNQS-QFIPXVFZSA-N 498.555 5.081 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C1CCC1 730462766 PJUHVHMDTOUFFS-IBGZPJMESA-N 472.492 5.090 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2cocn2)C1=O 730711493 CVKLZOPNFVGDCP-QHCPKHFHSA-N 492.601 5.241 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2cc(C)sc2C)c1 730712495 MKNYQFLQTIGAPM-OXJNMPFZSA-N 479.631 5.185 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2Cl)s1 730715003 JCIKLKYKNZJPHV-KDOFPFPSSA-N 486.022 5.221 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)S/C2=N/[C@H](C)c2cccs2)c(C)s1 730730236 UGJNOIDEWOJZEP-PRKDWJAESA-N 499.687 5.367 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCCC1 731068408 CTPQMMDCDGGKAB-QGZVFWFLSA-N 456.995 5.728 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2)c(N)c1 731080524 OGQSKTCSGDDQQA-MRXNPFEDSA-N 495.988 5.762 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731308052 LPKRTJAEXVOSBK-NOZRDPDXSA-N 471.582 5.504 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@H](C)c2cccs2)s1 731311349 BSMRDZLIDUGYAQ-DEWKKJECSA-N 499.683 5.975 30 20 JKED COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N 731340417 NUHFZNZMKHYLJO-LLVKDONJSA-N 475.817 5.306 30 20 JKED C[C@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)Nc3cnn(CC#N)c3)c2C1 747434446 MRVIBCNDZZUMBO-JIVYGXRASA-N 476.584 5.396 30 20 JKED CC(=NNc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)c1sc(-c2cccnc2)nc1C 747610951 HQLMKSNHZBXVQI-UHFFFAOYSA-N 480.597 5.666 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)s1 747975794 FEXDTENPTWXKPU-QHCPKHFHSA-N 458.587 5.138 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 748989575 TZMSAJLYVYKMMH-AREMUKBSSA-N 461.525 5.311 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Oc1ccc(Sc2ccncc2)cc1 749528112 YLGNNZWNSHHJQL-UHFFFAOYSA-N 485.359 5.250 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 750237045 HNNMOQFHBCWLJN-UHFFFAOYSA-N 452.919 5.543 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Br)C3)cn2)c1 750688932 SCSAKIPGXLVZFQ-NRFANRHFSA-N 479.334 5.113 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1-c1ccccc1 750911216 OYNDCFUQBJAJQQ-VWLOTQADSA-N 481.577 5.150 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(CC(F)(F)F)C1=O 799212220 GVUCBWBUTKWYTH-HXUWFJFHSA-N 493.551 5.615 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N([C@H](C)c3ccccn3)C2=O)c1 837286366 WCOADMZNQJXXPE-AUSIDOKSSA-N 488.613 5.429 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CCN(C2CC2)CC1 837302399 WORLMAJVSKDUBD-QHCPKHFHSA-N 497.064 5.236 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc2ncccc2c1 840200360 PSTOBOFTRVTNBU-XMMPIXPASA-N 457.530 5.702 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)C(C)(C)c2ccccc21 843537799 CGKDETMKQUQUQQ-KOEQRZSOSA-N 481.625 5.361 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901378141 ICQJLKPCKWGNBO-CYBMUJFWSA-N 462.420 5.076 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 903044107 BLYXJXUEQAHGPM-UHFFFAOYSA-N 455.402 6.468 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1nc(-c2ccccc2)cs1 913203293 IRADKIBDYAVVGU-MRXNPFEDSA-N 452.948 5.482 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2ccc(OC)cc2)c1 914279896 GKWSQDQGNJQGOR-SFHVURJKSA-N 485.005 5.221 30 20 JKED Cc1c(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)sc2nc(C(F)(F)F)ccc12 914680157 ONAOVVKTXIDXPN-SNVBAGLBSA-N 479.505 5.229 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)n(C2CCCC2)c1C 915578700 YJMHYLFKJRGKIP-UHFFFAOYSA-N 489.576 5.424 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 915578801 ZJPHECZGNUZIFC-UHFFFAOYSA-N 451.548 5.297 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=S)Nc2ccc(F)cc2)cs1 915926929 JPBQQWDVRLCGOH-UHFFFAOYSA-N 481.500 5.306 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)c1 916156607 VSFQSUMBCJLNMZ-RPLLCQBOSA-N 451.570 5.450 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccccc3)C2=O)c(OC)c1 916206281 POMMTWFYFZSFLZ-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 916212412 MVKGBSBKNCKODL-GOSISDBHSA-N 480.417 5.299 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 916212466 NFUKMWBAVKFGDZ-HXUWFJFHSA-N 468.941 5.035 30 20 JKED COc1ccc(OCc2nnc(S)n2N=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 916313403 IYCSYVKDCHYGIL-UHFFFAOYSA-N 469.570 5.040 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc(O)c2c3c(sc2n1)CCCC3 916848015 YIBLPWJRILEKDK-LEWJYISDSA-N 495.560 5.220 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc12 916883578 NDQJVLHZCSZFTM-LJQANCHMSA-N 496.564 5.730 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1C 917206787 YIQGAUAOQMLYTJ-QHCPKHFHSA-N 474.630 5.385 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(-c2ccc(C)cc2)c1=S 917457905 OAIANUCVQPIPTR-UHFFFAOYSA-N 454.603 5.515 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(C)n2)c1 917688706 FNTUQDKRDYUHHO-XMMPIXPASA-N 488.613 5.122 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)cc1 918565878 KKUAGFMCYJLTHB-LJAQVGFWSA-N 489.575 5.462 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2C)C(=O)N1Cc1ccsc1 920172375 HNEYETGKKADVEI-OAQYLSRUSA-N 493.610 5.224 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2SCc2cc(C)no2)cc1 927548459 QQPAUXIBPRSVDO-IBGZPJMESA-N 463.559 5.076 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3cccc(Cl)c3)CCCC1)C2 1779276204 UAGSVOIHBXSJAF-INNMJMHTSA-N 499.095 5.434 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)c3ccc(Cl)cc3)cc2)CCC1 1785988984 RFWDZBLTYYOFQZ-QZTJIDSGSA-N 455.986 5.379 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)c(O)n1 1787173139 OTKMORYPWNWPBL-UHFFFAOYSA-N 492.579 5.516 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C[C@@H]21 1788734083 JQTWTVWDWAUGDW-PMVMPFDFSA-N 494.598 5.000 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788800767 NQROZCMDVWIGRT-UHFFFAOYSA-N 457.599 5.416 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N(C)C)c4ccccc34)cc2)CCC1 1788990811 ITBZTFBUUMCNHG-HXUWFJFHSA-N 486.616 5.454 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789994897 XFZVNJLYFNVVNH-LJQANCHMSA-N 481.552 5.214 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)Cc4cccc(C(F)(F)F)c4)cc3)CCC2)CCC1 1791187320 IAYLASPUSBGYSR-UHFFFAOYSA-N 455.480 5.076 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(Cl)c4)CCC3)cc2)c1 1792123266 QMJLNIBMUKWICN-INIZCTEOSA-N 474.948 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4occc4Br)CCC3)cc2)c1 1792123949 VDOFSFYMMQFZKN-MRXNPFEDSA-N 492.373 5.731 30 20 JKED Cc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168357 QIFLCXNFLTWDOF-UHFFFAOYSA-N 474.586 5.172 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(OCc5ccccc5)cn4)CC3)CCC2)cc1 1792263140 MSQBAIQPEIESTI-UHFFFAOYSA-N 493.607 5.240 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(Br)cc1F 1793944104 HMVZEWWPNCMDOA-XJUOPJDLSA-N 475.402 5.008 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@H]1c1ccccc1N2)c1ccccc1 1795943699 TUOBPLKAZOFHMM-SXBJDWDNSA-N 495.667 5.200 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cncc2s1 1796372776 ULBKAVNEFIKPJS-BCDXTJNWSA-N 488.129 5.253 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OC)cc(C(F)(F)F)c1)C2)c1ccccc1 1798556770 GRWAWDUPQCRNBI-AANQFLQQSA-N 498.545 5.163 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1800348368 GFJMGNWQEKOTJN-OOSCYNTBSA-N 479.580 5.235 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 1800556664 ZQAOAOLRMBYPLT-QEIWAGNOSA-N 468.682 5.516 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](CCC)CC1 1801814811 DGMPYOZULOOBNB-WMGXJHCHSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1802499883 KDWMGKFXRIKHQS-ILBGXUMGSA-N 453.671 5.686 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1802499898 KDWMGKFXRIKHQS-UKILVPOCSA-N 453.671 5.686 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1802500545 AKXMYORABMIVLV-AJTFRIOCSA-N 490.623 5.333 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1803081903 OTJHMNMQOARDAN-URXFXBBRSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803092718 KMSRHFAVZGXHTK-XXTHSBEZSA-N 477.571 5.225 30 20 JKED Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)s1 1804468471 ZHIUZJAYXMHKCC-YIXXDRMTSA-N 495.765 5.141 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)C2)CC1)c1ccccc1 1805947033 NOULZSDZYGBIMY-YTCPBCGMSA-N 498.667 5.227 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 1806018968 CMJGIXUJMWIOAZ-UHFFFAOYSA-N 460.618 5.181 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC2(CCCN(C(=O)[C@H](S)C(C)C)C2)CC1 1806067685 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Cc1ccccc1CCC(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1812749842 AYLNRCRCNJERML-GGXMVOPNSA-N 489.736 5.080 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)ccc(F)c1F 1813849048 JKJIGWGYBSUQKM-HFZDXXHNSA-N 497.662 5.039 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)cc1 1814046717 CQVCRVALAFHPGM-ZFOUWLRQSA-N 484.644 5.227 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)cc2F)n[nH]1 1814614757 XNTKZSIQZIJXAG-OXQOHEQNSA-N 489.389 5.386 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(OC)cc2Cl)n[nH]1 1815697288 GMAGYNRVQWSWFF-NRFANRHFSA-N 473.017 5.299 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)[C@@H](C)CC)n[nH]1 1816846585 APVKNJYOHQWCEU-VNZMSGEBSA-N 454.640 5.151 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1819308924 IBHCSIXFIYTYIT-WZONZLPQSA-N 477.996 5.686 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCOc2ccc(F)cc2)[nH]n1 1819384581 SPNJVFHXSQXTAH-QHCPKHFHSA-N 498.675 5.061 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)[nH]n1 1819554046 AZWRPFYSGTXQLZ-KRWDZBQOSA-N 466.504 5.628 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932125 SMDQSAQNUYJPAC-PZJWPPBQSA-N 475.618 5.608 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2occc2NC(=O)OC(C)(C)C)n[nH]1 1820370048 YRQTUOAOFWXNFU-YLJYHZDGSA-N 497.596 5.424 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820549047 FOLLKJZJCTVRMA-SERSOLAASA-N 471.586 5.202 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)c1 1820563095 PULSOBUVORWRDD-KSFYIVLOSA-N 461.953 5.310 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c1 1821123266 SULOEQVUVSOJIO-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c1 1821125053 WMLKMACCHMVIBI-BTYIYWSLSA-N 479.943 5.449 30 20 JKED Cn1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc2ccccc21 1821277559 BNXKKYOKVSBWGL-JOCHJYFZSA-N 486.963 5.046 30 20 JKED Cc1cc(F)c(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1821333178 HIDLPQRBPZCLHH-HXUWFJFHSA-N 483.906 5.141 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1821924624 FHTKQWLFXULQCK-CXAGYDPISA-N 452.452 5.086 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)[nH]n1 1821986888 RDIKDYZCVXKVQD-LNLFQRSKSA-N 462.928 5.070 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C)[nH]n1 1822396122 NALWMDUUIPSGGX-OAQYLSRUSA-N 489.661 5.233 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)cc12 1823215628 YKSUOOJJNOMDEY-IQGLISFBSA-N 480.572 5.446 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1823684187 QHMJXVNZIDATLU-GDLZYMKVSA-N 496.655 5.225 30 20 JKED Cc1ccccc1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823685155 LWVVNOLUDJVYGL-MUUNZHRXSA-N 471.645 5.052 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1824051979 ZULZEBWYDVHSSC-QHCPKHFHSA-N 499.442 5.126 30 20 JKED C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1824054622 MBBPWERBQLYIBS-QDPGVEIFSA-N 471.645 5.304 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1824247220 ALRQCOCUUMRDIE-DQEYMECFSA-N 457.058 5.666 30 20 JKED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824247605 XSVMJSGQOWZCES-GVJADEFVSA-N 499.095 5.272 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828319132 ASGDSCHMOVBDME-JOCHJYFZSA-N 489.081 5.771 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1829289081 BGLSJXDOSMKPIB-SANMLTNESA-N 482.584 5.069 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2OC)CC1)c1ccccc1 1829486414 BFFOWAUKCVQCMO-ZEQRLZLVSA-N 478.658 5.187 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1 1829775995 UNDWJBVVYCFPER-MHZLTWQESA-N 482.584 5.226 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829907954 VFLDHCFIBUHRNE-SANMLTNESA-N 458.602 5.516 30 20 JKED COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)ccc1C 1830066704 NIPWDHLVCCVTOU-HSZRJFAPSA-N 480.008 5.076 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(OC)cc2F)CC1 1830582470 AFXGNZHGZFHKJX-JOCHJYFZSA-N 462.581 5.199 30 20 JKED COc1ccc(Cl)cc1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830769922 CKJYKOUDPIMCMG-VWLOTQADSA-N 494.035 5.005 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)Cc3cccc(Br)c3)CC2)C1 1831715350 FDIXZZHHJCUFAN-DVECYGJZSA-N 487.482 5.214 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1832028368 RIJQNAXRFDUNID-HHHXNRCGSA-N 471.645 5.484 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Cc2ccccn2)CC1)c1ccccc1 1832084640 BWNNEEJJALCCII-RVVSJWLRSA-N 485.672 5.077 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)n3)CC2)c1 1832633504 IKFDNWITXJEPHR-FDDCHVKYSA-N 498.549 5.275 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)CC1 1832668874 IZFNWKNCYOVBAJ-QFIPXVFZSA-N 461.046 5.574 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCCCCNC(=O)OC(C)(C)C)CC2)C1 1832756482 GPWWQCNYJDMWFJ-XMMPIXPASA-N 489.701 5.048 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CC1 1836100451 RKNLPNFPQBCJMJ-QHCPKHFHSA-N 498.671 5.004 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)CC1 1836697707 QMSRLHUKNGUELT-UHFFFAOYSA-N 496.051 5.269 30 20 JKED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCc1ccccc1)C2 1842921659 JIOBATIJSZRUHX-UHFFFAOYSA-N 494.724 5.225 30 20 JKED C#CCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1844724353 DHFKZWSZIGPSHP-UHFFFAOYSA-N 460.540 5.374 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)C2)c(Cl)c1 1845672033 NJQOUJZPIGFVMV-UHFFFAOYSA-N 484.943 5.084 30 20 JKED C=CCSCC(=O)N1CC2(CCCN2C(=O)[C@H](c2ccc(OCc3ccccc3)cc2)C(C)C)C1 1846247340 VMTTXXCYYZOVRV-MHZLTWQESA-N 492.685 5.128 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nc2cc(Cl)ccc2c1=O 9085540 KAFTWYLGCPBZSZ-LBPRGKRZSA-N 464.374 5.017 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(O)c2)cc1 10174132 VPQRBRLENHDEAJ-UHFFFAOYSA-O 489.539 5.927 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(CC)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10762776 WNNLORMTJPSKQN-UHFFFAOYSA-O 456.006 6.332 30 20 JKED N#Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(F)c1 10851602 JIMORWYWQFQKCK-UHFFFAOYSA-N 472.847 5.354 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)c3cnn(C(C)C)c3n2)s1 11261238 QAZOTJFLNBAUFU-MRXNPFEDSA-N 473.558 5.105 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc(Br)c2)cc1 15247563 DUIGEYTXHWHXTA-UHFFFAOYSA-O 488.858 6.393 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C3\S/C(=N\c4c(C)cccc4C)NC3=O)cc2)cc1 16440375 HVBZCHMYSDWHOE-HAHDFKILSA-N 472.566 5.561 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cc(OC)c(O)c(OC)c1)C(=O)c1ccccc1 18064915 WCYZMLKBGHQCDY-PXLXIMEGSA-N 459.542 5.439 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 20887861 ZHTJLIHZFSYAMO-UHFFFAOYSA-O 488.460 6.638 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1ccc(F)cc1 22206224 OOQQWRLFXUJELV-UHFFFAOYSA-N 472.343 5.375 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 22732768 JHEBFKNUUDBAHD-UHFFFAOYSA-O 473.996 6.526 30 20 JKED COc1cccc(Cc2cnc(/N=C(O)/C(=C/c3ccco3)n3nnnc3-c3ccccc3)s2)c1 23511174 AHCLEHLQAQEBSQ-JCMHNJIXSA-N 484.541 5.275 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3c(C)oc(-n4cccc4)c3C#N)cs2)cc1 26196733 AEVYAPJYMSFFEE-UHFFFAOYSA-N 474.542 5.311 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c1 26754282 XFJXKPYXGDZRPR-QGZVFWFLSA-N 451.621 5.386 30 20 JKED Cc1cccc(N2CCN(CCCCNC(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 26961058 RBAUBDALZSGZHT-UHFFFAOYSA-N 484.669 5.350 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)Nc1cccc(OCCCC#N)c1)C1CCCCC1 59771015 HCTMPCMIRNBSNZ-UHFFFAOYSA-N 465.619 5.505 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncccn2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 71820271 FSBVBRRQWVQXRE-DOTOQJQBSA-N 482.679 5.253 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1F 195568886 UBFNAPNYLXQQJP-GFCCVEGCSA-N 451.354 5.696 30 20 JKED C=C(Br)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 195706671 GKSSITFEGZBMBN-UHFFFAOYSA-N 498.613 5.086 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COc4cccnc4[N+](=O)[O-])c3C#N)C(C)(C)C2)o1 205796934 CSHPEURKMGUQLO-CLFYSBASSA-N 490.541 5.620 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc(Br)cc1 303174340 JRZTZXZNUCRWCC-UHFFFAOYSA-N 451.320 5.226 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 409588394 VWIIHNXZBHBVHG-UHFFFAOYSA-N 484.856 5.748 30 20 JKED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 480153932 HQFFRKLBKVEAMX-DEOSSOPVSA-N 498.627 5.086 30 20 JKED COc1cccc(/C=C/c2cc(C(=O)N3CCC(C#N)CC3)c3cc(Br)ccc3n2)c1 490847056 BGQNJIVHOPNXAX-FNORWQNLSA-N 476.374 5.552 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 494536560 MHRGZEPVTFGTHE-UHFFFAOYSA-N 463.541 5.374 30 20 JKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 498097794 JMJWBMPZQCZCRP-UHFFFAOYSA-N 471.966 6.314 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c2)cc1 500995600 IZIUPSZEMWFXDU-UHFFFAOYSA-N 485.565 5.132 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1ccc(C(F)(F)F)cn1 501148153 FQDBWHLDUFNIML-UHFFFAOYSA-N 459.468 5.745 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(C4CC4)n(-c4ccccc4Cl)n3)n2)cc1 501313879 RJPHVENOOVUIQH-QGZVFWFLSA-N 470.945 5.283 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3I)c2)cc1 501450555 MIAQHOZYHBMKAJ-UHFFFAOYSA-N 468.294 5.189 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)C(=O)N(C)CCC#N 501575111 YAJZFPAEBKQQIE-HNNXBMFYSA-N 474.417 5.153 30 20 JKED Cc1nc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)sc1SCC#N 504692585 SIQXSAKBPTYWIX-UHFFFAOYSA-N 480.659 5.152 30 20 JKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 509208690 FRTGMXNENFCZRS-UHFFFAOYSA-N 457.490 5.161 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCCNC(=O)c3ccc(F)cc3F)cc2Cl)cc1 515715682 ZEFHAEBAUNOQFU-UHFFFAOYSA-N 469.875 5.431 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Br)cc1 515911040 BUGOBLQRHJKQQG-YCRPNKLZSA-N 496.792 5.574 30 20 JKED C=CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1C)c1nc2c(s1)CCCC2 516462040 LCYSWEUSDWLURM-UHFFFAOYSA-N 457.397 5.111 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(F)c1 518157793 BWUMMYLKUUEFEK-GOSISDBHSA-N 465.472 5.152 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 518279731 CRLZCNZPQPAHFY-UHFFFAOYSA-N 496.508 5.557 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(F)ccc1Br 518655570 RWCGVLVSKUFPLE-ZDUSSCGKSA-N 453.402 5.712 30 20 JKED COc1cc(CCC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc(OC)c1 518683041 GLPFGEBQWKAYGX-IBGZPJMESA-N 467.635 5.832 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1)c1ccccc1 519108041 UKJGCAMPRQGKIW-UHFFFAOYSA-N 485.594 5.231 30 20 JKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nc2cc(Cl)ccc2c1=O 522483554 STJKGUXWFGMAKF-UHFFFAOYSA-N 479.776 5.885 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc(C)nc21 522489031 HIHQSMVGWJHASQ-DYVFJYSZSA-N 484.412 6.631 30 20 JKED CCCCCNC(=O)C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 524437571 RXVCKBWBXHNDMN-UHFFFAOYSA-N 483.012 5.341 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nccnc3-c3nc4ccccc4s3)cc2F)c1 524498220 QYWGXQVBABKOKX-UHFFFAOYSA-N 481.512 5.595 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2cccc(F)c2)CCCCC1 553319817 DJUFNPWRCUSWFJ-SFHVURJKSA-N 453.583 5.177 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccco1 594518853 PSVGRNVVISGULG-WBTNSWJXSA-N 453.593 5.199 30 20 JKED N#C[C@H](C(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 595869789 UOAQAPJCJCCZRO-LJQANCHMSA-N 466.971 5.414 30 20 JKED N#CCCN(Cc1ccco1)C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 603925528 SAAAQBCTDUDHMA-UHFFFAOYSA-N 465.435 5.102 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)cc2Cl)cc1 608892011 YAHROXFAFYKDJM-UHFFFAOYSA-N 480.874 5.069 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3oc4ccccc4c3CSc3ccc(F)cc3)CC2)nc1 608950183 QFSPUIQNCISPQV-UHFFFAOYSA-N 486.572 5.530 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 609043172 BYRVHJVSPPLPLN-QFIPXVFZSA-N 457.574 5.365 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)n1 609046709 KNWYHCRXFMLBRY-UHFFFAOYSA-N 453.502 5.327 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1Cl 609090174 SUVZAGZMWBSEDJ-UHFFFAOYSA-N 475.976 5.018 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609164817 WVQFJNFULNHJRS-NOZRDPDXSA-N 492.044 5.794 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 609401975 OINQACQJORZYMK-KRWDZBQOSA-N 464.557 5.553 30 20 JKED N#Cc1ccccc1COc1cccc(CNCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 609433184 FGKIJGUTOXDTOZ-UHFFFAOYSA-N 484.603 6.339 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)c(Cl)c1 609438163 DPHOXYMAUCQKNI-RDTXWAMCSA-N 464.418 5.984 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 615508591 QRHUAZTUAQWVST-RUZDIDTESA-N 471.988 6.431 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(F)cc1 619097195 MUEUFRSYKCUAAD-MSOLQXFVSA-N 460.578 5.781 30 20 JKED CC(C)(C)n1ncc(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1C(F)(F)F 622545355 KVMXFGSBQPJJHR-UHFFFAOYSA-N 451.386 5.276 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](c2ccccc2)C(C)C)cn1 726113247 RBDVLDGQZBRQFD-UPVQGACJSA-N 493.608 5.400 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 726397534 IGLKIFDORMYLKW-FDDCHVKYSA-N 461.587 5.225 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccc2)cc1F 726410019 FEPSZWYDESDFMZ-HSZRJFAPSA-N 495.551 5.176 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2sccc2C)cc1F 726410829 DXEVUAYAXDVYMR-OAQYLSRUSA-N 497.617 5.042 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726420978 NIGAYVVTQJWIIU-FEYCNFHHSA-N 455.527 5.009 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@@H](C)c1cccs1 726422296 WEGBCOJPKBZNNH-HQIBMZJNSA-N 487.647 5.847 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1OC 726541109 WNZMKUFKWVFNML-LOULHMMLSA-N 479.964 5.383 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)cc1[N+](=O)[O-] 726572288 XMVWTFBGNFOLQE-UHFFFAOYSA-O 451.915 5.039 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C)s2)cn1 726893494 ZBAZWAZBFRVZDB-OAQYLSRUSA-N 494.642 5.237 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2cccc(C)c2)cc1Cl 726963058 PADPFLITASEHRL-UHFFFAOYSA-O 497.040 5.674 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnn(-c2ccc(F)cc2)c1 728174211 MDCJANDNJMMDRC-UHFFFAOYSA-N 463.925 5.294 30 20 JKED N#Cc1cccc(COc2ccc(NCc3nc(-c4cc(Br)cs4)no3)cc2F)c1 728201641 KXSJQGGFBAHDEZ-UHFFFAOYSA-N 485.338 5.762 30 20 JKED COc1ccc(/C=C2/N=C(SCc3ccc(F)cc3C#N)N(c3cccc(OC)c3)C2=O)cc1 728442169 XNZLTDARJZYRPV-WYMPLXKRSA-N 473.529 5.392 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2ncccc2C)C1=O 729631556 QHSYOXKHUYFCBZ-QHCPKHFHSA-N 488.613 5.176 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ncccc2C)cc1F 729633541 DZSHWSCMIAOUOF-JOCHJYFZSA-N 480.540 5.137 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccccc2)cc1 729668412 JHMVOCBLKJEYIE-UHFFFAOYSA-O 451.568 5.308 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2sc3cc(Br)ccc3c2Cl)CC1 729839288 FJHHRPPBIONGSB-UHFFFAOYSA-N 491.798 5.017 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1F 730533052 CUQUWDOYXGABFT-HXUWFJFHSA-N 455.486 5.027 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)cc1F 730536106 LTYPNHCMMGMPFJ-QFIPXVFZSA-N 498.530 5.010 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cocn3)C2=O)cc1 730715325 LYJJOXGPMVOVQW-OAQYLSRUSA-N 498.992 5.277 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cccc2c1=O 730990537 ZBNGEABSEWTPKZ-KRWDZBQOSA-N 454.551 6.273 30 20 JKED Cc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1NC(=O)c1ccco1 731059456 ALDOVUOYPUJMCS-QGZVFWFLSA-N 477.542 5.030 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c3ccccc3n2)o1 731060134 CVNUEFABGMTFLK-QGZVFWFLSA-N 485.565 5.851 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731303854 CCNDIAWOWAISSO-QHCPKHFHSA-N 459.571 5.448 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1F 743523850 DRJJDMJKMFKDQA-SFHVURJKSA-N 498.407 5.438 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1F 746695738 HPFQVGMTCCULGQ-HSZRJFAPSA-N 490.535 5.607 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 746697931 PXOMBVBKNBLJJW-QFIPXVFZSA-N 488.053 5.734 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)c3cnn(C(C)C)c3n2)c(C)s1 836614796 HJQULNQPYNGTCN-UHFFFAOYSA-N 493.633 5.199 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccc3C)C2=O)cc1OC 837530488 JLTYLQIAGQFOTF-XMMPIXPASA-N 489.597 5.173 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 837535415 DRCPLMUFTRPWGF-UQBPGWFLSA-N 480.593 5.956 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)c([N+](=O)[O-])c1 837539480 ZFUPZSYWWARULX-VGOFRKELSA-N 489.557 5.020 30 20 JKED O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cc(F)c(F)c(F)c1F 849477321 XBXFAOMCEVWWAN-UHFFFAOYSA-N 492.372 5.315 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914598630 PENDOXPEVSDSOW-VWLOTQADSA-N 487.625 5.177 30 20 JKED Cc1c(C(=O)O[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)sc2nc(C(F)(F)F)ccc12 914679682 GVTIVQPDFKFLGX-LURJTMIESA-N 498.351 5.503 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc(F)c3)C2=O)cc1OC 914772617 HFCGWSMLQJGJPP-QHCPKHFHSA-N 493.560 5.003 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)c1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915103705 CHWYFIQMUVQQDT-AWEZNQCLSA-N 496.308 5.074 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2ccccc2n1C(F)F 915104831 VFKNRRDEGKILHV-RDTXWAMCSA-N 477.298 5.219 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 915106239 AARXCWUGCRZCAE-TZIWHRDSSA-N 458.468 5.169 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cl)cc2)C1=O 916204383 DITDLQZMDXNMBZ-JOCHJYFZSA-N 479.989 5.509 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C[C@H]2CCCO2)cc1 916213050 XDEPHHOIKRWMCS-DNQXCXABSA-N 473.598 5.288 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccc2)cc1 916213942 IUYNZFZVYUORPY-JOCHJYFZSA-N 481.524 5.134 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc(Br)cc2)o1 916278027 YRYITVORASVDLG-UHFFFAOYSA-N 455.337 5.147 30 20 JKED Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)c1 916886096 DJLTWCUXAYRFGW-GOSISDBHSA-N 457.527 5.323 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916901240 BXBHLGQBZQONDG-OAHLLOKOSA-N 482.945 5.118 30 20 JKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916907536 IUKMZNDODYXVKA-QFIPXVFZSA-N 483.549 5.715 30 20 JKED Cc1ccc(C(=O)N[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C(C)C)cc1 916995252 CWBMLFDWWOIYNB-RXVVDRJESA-N 486.424 6.056 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccccc1Br)[n+]1ccc2c(c1)CCCC2 917613010 JGPVIJZCEGJLHH-UHFFFAOYSA-O 491.434 5.810 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1ncc(-c2ccccc2Br)o1 919681945 RMZHIQDIRANSSK-UHFFFAOYSA-N 475.726 5.566 30 20 JKED COc1ccccc1[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nccn1C 919898854 GCCPWNXBDRMDTA-DEOSSOPVSA-N 453.502 5.004 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Br)n2)cc1 920139343 RWMVQFDTGWJMMJ-KRWDZBQOSA-N 471.376 5.617 30 20 JKED Cc1c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cc(O)ccc2C)sc2ccccc12 920487557 UVWNNWHJNLTWCT-UHFFFAOYSA-O 458.588 5.706 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 920870539 TUPPBGPZKYXUBZ-KUHUBIRLSA-N 497.514 5.087 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C1 1783062717 ORYFDTUUKIWXLH-HYBUGGRVSA-N 499.866 5.543 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)COc4ccc(Cl)c(F)c4)CCC3)cc2)cc1 1785880865 RFWRUEMGAZVRRP-UHFFFAOYSA-N 491.950 5.106 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)cc1F 1786041592 NIOAGRFUSRASGI-UHFFFAOYSA-N 485.559 5.015 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(F)F)cc3F)CCC2)cc1 1786366787 SHJZGCUYCYOEMP-UHFFFAOYSA-N 476.495 5.158 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1 1786375414 XQWXFZOQWSTYBK-HNNXBMFYSA-N 464.459 5.183 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(F)nc4)cc3)CCC2)c1 1786818424 CDVJRTMGTRRNGL-IBGZPJMESA-N 470.548 5.228 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccco4)cc3)CCC2)c(C(F)(F)F)n1 1786914190 DCOODKVGXNJENO-PKNBQFBNSA-N 480.446 5.026 30 20 JKED Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1787103292 UFAXCRJRKBMTKY-UHFFFAOYSA-N 466.463 5.275 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C(C)=C/c4cccnc4)CCC3)cc2)c(O)n1 1787172911 NAKRCUWLGYXQGW-CZIZESTLSA-N 482.584 5.152 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789201211 PDMCUVIGRUTKJF-QHCPKHFHSA-N 481.637 5.104 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C3(NC(=O)OC(C)(C)C)CCCCC3)cc2)CCC1 1789220256 MZYDNUKMDJBZRQ-UHFFFAOYSA-N 481.637 5.152 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)cc2)CCC1 1789287698 VYGLTVMEUJGUBR-INIZCTEOSA-N 470.495 5.313 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Br)cccc4c3)cc2)CCC1 1789328934 MLMXKWJOGNZOFD-UHFFFAOYSA-N 476.374 5.654 30 20 JKED Cc1nc2cc(C(=O)NC3(c4ccc(NC(=O)C#CC5(O)CCCCC5)cc4)CCC3)ccc2s1 1789538826 XJSUDFHKPWDRJE-UHFFFAOYSA-N 487.625 5.051 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)cc2)CCC1 1789990928 ZIWTUAJQCMVNFU-HXUWFJFHSA-N 492.579 5.016 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)C4(c5cccc(Cl)c5)CC4)CCC3)cc2)c1 1790144930 WUJOYFLTYDLFMM-UHFFFAOYSA-N 458.949 5.019 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)cc2)CCC1 1790563067 YNJRDSWIYGKQEX-LFYBBSHMSA-N 475.614 5.243 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1790566382 UDQLFWBALWWOHN-LJQANCHMSA-N 498.583 5.977 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C)c(OC)c(C)c3)cc2)CCC1 1790735611 MNUUHPWWIZMSFH-UHFFFAOYSA-N 450.579 5.043 30 20 JKED Cc1c(Br)ccc(F)c1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1 1790800366 JWUSGWLRJBDPIA-UHFFFAOYSA-N 495.352 5.158 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCSC4)cc3)CCC2)ccc1Br 1792287992 HMKOZDWJLDFEMD-QGZVFWFLSA-N 498.446 5.212 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1802502395 BWKBKQHOEVSGFU-ZEQKJWHPSA-N 455.602 5.547 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1802744058 VDGAHDLNNDQBRQ-LGVFNWMJSA-N 451.998 5.131 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)[nH]c2c(Cl)cccc12 1803679886 ZWVWPHHEYPZFSI-KQLYMOGASA-N 474.992 5.322 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811273283 ONIAONNJUMLELK-WIIGKZCBSA-N 496.655 5.577 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cc(OC)cc2C)[C@@H]1c1cccnc1 1811633195 OAVPDMDUDFLUFF-DHLKQENFSA-N 463.622 5.019 30 20 JKED Cc1cc(F)c(F)c(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1811971369 AXHRSDZWOGZVBL-RLWLMLJZSA-N 497.662 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812508877 RMAHJRHDZWFJAA-QPPBQGQZSA-N 487.566 5.341 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812671280 CBZOAHMIGJGFJD-KNQAVFIVSA-N 487.978 5.074 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1812787897 BDJBGEYPFSRDOG-VSUKXTEZSA-N 486.660 5.054 30 20 JKED Cc1cc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c(C)c1 1813789883 MRUZMHGBCCRNSH-ZEZZXZOMSA-N 480.612 5.267 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1813944043 PGMRYVWFMCGSDX-GWJPWWOOSA-N 473.951 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813973611 XHAMUWHXGMNPMS-IXFSTUDKSA-N 490.406 5.616 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(CC=C)CC=C)n[nH]1 1814830220 RRJZUQBHCCXZCO-RBBKRZOGSA-N 499.656 5.030 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1)c1ccc(O)cc1 1815985144 VGUHKBNGIGCEOF-AHIKMHNJSA-N 488.613 5.080 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c[nH]1 1816111262 VEYYRMKTIARLJE-IBGZPJMESA-N 478.984 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2C1 1817356808 ZNEWPVAMIVXMSY-RTBURBONSA-N 476.602 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971781 PONBCJJHUDPUMC-DVECYGJZSA-N 492.023 5.994 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)[nH]n1 1819305624 MBJZBFSQZCDUAU-RXVVDRJESA-N 463.607 5.402 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)[nH]n1 1819553662 PFXFENDYMTZRRA-NRFANRHFSA-N 475.593 5.671 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819963723 PFJMSFOYDWAQND-OAHLLOKOSA-N 471.410 5.067 30 20 JKED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)c(F)c2CSc2ccccc2)n[nH]1 1820240153 FLVMEYGGPGJPBU-NRFANRHFSA-N 495.555 5.200 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2)cc1 1820549230 NGLHIZBKYHWQRB-FQEVSTJZSA-N 468.344 5.208 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n[nH]2)C1 1821087405 AZKJNKCJYGAZJN-GOSISDBHSA-N 466.891 5.354 30 20 JKED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)[nH]n1 1821877197 NONSREOECJKKHO-HSZRJFAPSA-N 464.525 5.294 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1)c1ccc(O)cc1 1822465414 QAHJBCDZWHVPLQ-NZQKXSOJSA-N 498.574 5.130 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1822579845 KQJVNFUZOAOPCN-GOSISDBHSA-N 469.998 5.172 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1822584251 DMDQDTBMPFWBFU-OAQYLSRUSA-N 451.958 5.044 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823218510 SGYRVDNRZVSTSM-KOSHJBKYSA-N 455.562 5.219 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)CC2)C1 1823698622 YPEIGZNTDAHTSW-XMMPIXPASA-N 497.561 5.365 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1824957620 PAEJOYVUPDNWTA-VWLOTQADSA-N 477.674 5.210 30 20 JKED CCn1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c2ccccc21 1827342837 CHHMAHQHKWBRBF-LVXARBLLSA-N 497.643 5.230 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827713250 HCGQKLVATNOKDW-XMMPIXPASA-N 477.649 5.876 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccn(C)c34)CC2)c1 1828274359 HMNCEHZEIARHFF-JIPXPUAJSA-N 482.628 5.352 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(CC)CCC2)CC1 1828476122 WCTMZOGJKLYIHW-GOTSBHOMSA-N 489.701 5.046 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828904130 QNYMAIUVYAABHN-HSZRJFAPSA-N 488.148 5.328 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(F)cc2)CC1)c1ccccc1 1829032539 KOOACUBJYUUECZ-NSOVKSMOSA-N 490.619 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCCn3cccc3)CC2)c1 1829039084 VFCQRAKIBQSYHV-YIXXDRMTSA-N 474.649 5.219 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)cc(OC)c2F)CC1 1829069227 RUGANLXACBHKBW-JOCHJYFZSA-N 474.617 5.069 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829496314 QPLXQHCAWKKMLG-MHZLTWQESA-N 457.618 5.176 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685329 BMCABCUXTGQANG-HXUWFJFHSA-N 486.037 5.219 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829690061 IJAAYSGMTIFGGE-YAZRVPCTSA-N 480.008 5.450 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830169000 FINZNGZFANPAQB-AMGIVPHBSA-N 492.660 5.208 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721905 SRVIUSGMJRKOHW-URXFXBBRSA-N 454.014 5.213 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1831447229 YQBMYGQTAITWOI-IBGZPJMESA-N 459.364 5.438 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831751679 NLQILQCRPORQFX-ZCYQVOJMSA-N 460.659 5.104 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1831849937 KDAWBMSCPNKPHR-HSZRJFAPSA-N 485.550 5.290 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832801156 JAXTVKAKCFQRHG-SSGKUCQKSA-N 468.604 5.743 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1832922725 UMDPKGPMWGRVJE-GOTSBHOMSA-N 491.717 5.292 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 1845345893 PJKLSIWADOPWFS-UHFFFAOYSA-N 492.366 5.133 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c(C)c1)[n+]1ccc(Cc2ccccc2)cc1 10118204 UKMVWAHHFXRTRP-UHFFFAOYSA-O 481.641 6.241 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccc3c(c2)CCCC3)c1 14872044 QLCBCYUJIPTGOE-UHFFFAOYSA-O 494.478 6.229 30 20 JKED COc1ccc(Br)cc1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 16095870 QLIQJLRWKYMFAW-SFHVURJKSA-N 491.794 5.567 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 16800515 WPDDNZHLIKXFFY-SNVBAGLBSA-N 463.744 5.143 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1 21515095 SEZHPXOYZRRKRI-UHFFFAOYSA-N 476.549 6.331 30 20 JKED CN(Cc1cccc(C#N)c1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 26323903 WZFWSXOJJXAWIP-QFIPXVFZSA-N 479.334 5.041 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 32369092 UTBLCJNRPPAZGC-UHFFFAOYSA-N 453.951 5.194 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 46667755 GRYGCASOWAWGEA-UHFFFAOYSA-N 460.946 6.012 30 20 JKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(COc2ccccc2C#N)o1 68715153 YBGLJUVQNYJTLU-UHFFFAOYSA-N 472.328 5.138 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)nnc1-c1ccccc1C 107805378 XJCODMOYLKBCPT-UHFFFAOYSA-N 484.585 5.372 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2C(F)(F)F)cc1 107806514 WTZIJRRQBVQCPO-UHFFFAOYSA-N 477.446 5.819 30 20 JKED Cc1ccc(NC(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)c(Br)c1 108352447 DJHHMWVQBJWGMP-UHFFFAOYSA-N 450.336 5.259 30 20 JKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1NC(=O)c1ccccc1 108741051 OEMXPLXUAMOOND-UHFFFAOYSA-N 451.448 5.324 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)cs1)c1ccc(F)cc1F 208895187 DJRLCRORSXWVDI-CLTKARDFSA-N 487.742 6.962 30 20 JKED Cc1cc(I)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 301196313 JOLJQSLNBAKFSR-UHFFFAOYSA-N 484.362 6.016 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)cc2)c1 303316459 GVUWWTNHBBOROB-UHFFFAOYSA-N 481.581 5.599 30 20 JKED O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 409450858 AHOYYOSBUJDFHL-UHFFFAOYSA-N 497.374 5.165 30 20 JKED C=CCN(C(=O)C[C@@H](c1ccccc1)C(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 482018642 WUXIIPKZICMADE-JOCHJYFZSA-N 468.644 5.563 30 20 JKED N#CCc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(CC#N)cc4)cc3)cc2)cc1 483780413 BNZYZROKHBRERE-UHFFFAOYSA-N 470.532 5.990 30 20 JKED CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 490630882 XNXZTSJCFAVJIX-UHFFFAOYSA-N 466.541 6.121 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc1 499696945 SQNIABXGDOVUQT-QFIPXVFZSA-N 453.901 5.545 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCCc3cc(OC)ccc32)nnc1-c1ccc(Cl)cc1 499932205 RMNBIMSYYRZUMS-NRFANRHFSA-N 469.010 5.079 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 503376232 TUGNIRCDWDXJJW-UHFFFAOYSA-N 474.536 5.029 30 20 JKED CC[C@H](C)n1c(Sc2cccc(F)c2C#N)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 506865637 CNFDYUJNIVBYIR-INIZCTEOSA-N 487.626 5.109 30 20 JKED CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)[C@H](C)c1ccc(C#N)cc1 509564980 RIKLDKATEPAXOY-GOSISDBHSA-N 455.562 5.984 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509849766 FCELAWAFCQVBLO-GOSISDBHSA-N 456.571 6.166 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 511401117 XMWFEUNLUJAHMH-UHFFFAOYSA-N 465.557 5.119 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511777420 MXRKYMYIVHMJQL-LYZGTLIUSA-N 481.596 5.270 30 20 JKED CC(C)CN(C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(C#N)cc1 512450557 SQUJTNALSPPFCM-UHFFFAOYSA-N 451.526 5.788 30 20 JKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 512841220 RFXUNOGWIPCGMG-UHFFFAOYSA-N 473.508 5.038 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(Br)ccc2OCc2ccccc2)n1 512964605 SFVFQIRUNPEGKC-QGZVFWFLSA-N 485.359 5.151 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSC2CCCCC2)n1 512970408 RJKAIMFBBHZMIH-QGZVFWFLSA-N 468.600 6.122 30 20 JKED Cc1nc(-c2ncccn2)sc1C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 515585076 TWAUVFMZWYCJAY-IEEVTGIFSA-N 461.616 5.323 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1Br 517460518 ISNWLOKTTOTSHW-AWEZNQCLSA-N 499.883 6.105 30 20 JKED CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)c1C 518800568 IBHOKYJDFSYPSD-UHFFFAOYSA-N 496.592 5.774 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCc2c[nH]c3ccccc23)cc1Cl 519388317 JDQOZVYXLUUCKM-QHCPKHFHSA-N 470.960 5.164 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 521746142 BNRQQDWNLZFOQH-GOSISDBHSA-N 450.608 5.779 30 20 JKED C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 522246050 HZVTYHPNGFIATA-HCSVXLCASA-N 451.570 5.362 30 20 JKED CC(=O)CCc1ccc(OCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524392384 FWJPYOLVKQPAMK-UHFFFAOYSA-N 462.933 5.330 30 20 JKED COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 524708048 SKVZLIYNHGMWDO-HSZRJFAPSA-N 486.959 5.459 30 20 JKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)C1 553962312 KXZVAYXYKOXIPQ-SIKLNZKXSA-N 489.576 5.256 30 20 JKED CN(CCOc1ccccc1Cl)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 574710556 DBUVUWBGAMYBNP-UHFFFAOYSA-N 479.989 5.093 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccccc4F)n3C3CC3)c2C#N)C1 589918451 OQTTXLHERQNAHZ-CQSZACIVSA-N 481.622 5.598 30 20 JKED CCOc1ccc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(C(F)(F)F)c1 590029684 WEFIMIYHXRRNPQ-UHFFFAOYSA-N 489.409 5.322 30 20 JKED Cc1nc(CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccc(F)cc2)cs1 603774240 DZGGNZGADANUNI-UHFFFAOYSA-N 491.548 5.160 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nc2cc3ccccc3cc2c1=O 603907054 RFECHLNQMKWNNU-UHFFFAOYSA-N 470.598 5.225 30 20 JKED C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 603961639 QFJPXRUJCFAVFV-OALUTQOASA-N 457.530 5.101 30 20 JKED Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c2cnn(Cc3cccs3)c2n1 603969012 UWNHFJVSTYKJRW-UHFFFAOYSA-N 455.568 5.702 30 20 JKED COc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1OCc1cn2ccccc2n1 604181362 DIAFBVFPPWBAPP-UHFFFAOYSA-N 494.507 5.218 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1 604441530 KEYYKXHXVDARKN-UHFFFAOYSA-N 492.000 5.229 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cc(Br)cc(Br)c2o1 604511475 WUSYOVQUUXHULE-UHFFFAOYSA-N 492.167 5.118 30 20 JKED COc1cc([C@H](C#N)NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC 609007204 INZOMAIIXBWBFG-KRWDZBQOSA-N 492.384 5.066 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 609078641 DZZFICPWQADOQP-UHFFFAOYSA-N 482.584 5.006 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 609376940 MABRGXVABMQUMC-AWEZNQCLSA-N 460.386 6.471 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c1 609378134 XKNJHJRXRDBDHB-GOSISDBHSA-N 475.570 5.217 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1)c1ccccc1 609378463 JQIPQCRLGVTPPG-UHFFFAOYSA-N 483.515 6.240 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1OC(F)(F)F 609378787 ABSKILIGRVYJNF-UHFFFAOYSA-N 470.416 5.411 30 20 JKED COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Cl 609378940 KPCMCRZNVOAZOU-UHFFFAOYSA-N 450.891 5.174 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 609402670 HRTISKLBNTWGLE-GAJHUEQPSA-N 463.990 5.436 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccsc2)c1 620990283 KAUIZFUHBAKACR-UHFFFAOYSA-N 461.008 5.055 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nnc1-c1ccc(Br)cc1 636349719 LEFZEFMJPGYYIX-UHFFFAOYSA-N 483.391 5.850 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282155 PBXHZJFMALSJPE-CYBMUJFWSA-N 463.868 5.585 30 20 JKED CC(=O)Nc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 642473554 AHGPYJSDNSWTSR-NXEZZACHSA-N 479.343 5.695 30 20 JKED CC(C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/CCc1ccccn1 726108365 KYNDAXCCGQFTGX-WRQPMBBJSA-N 493.460 5.306 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726118419 MVGZDPIUANOUKT-IERDGZPVSA-N 497.646 5.003 30 20 JKED CC(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@@H](C)c2cccs2)CC1 726419119 CQSXSQCJBSYVCN-RHWZNEOSSA-N 484.691 5.011 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 726571971 QAJIVCHOTKZSFT-UHFFFAOYSA-O 479.969 5.602 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(N4CCSCC4)c(Cl)c3)o2)cc1 727993765 VWYYBGPMCBVUQB-UHFFFAOYSA-N 453.951 5.189 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)cs1 728157016 QYFLXEFPUZCXLE-XDHOZWIPSA-N 477.929 5.224 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1=S 728906511 CDMANIWRZVJTGK-UHFFFAOYSA-N 488.617 5.163 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cc(F)ccc2F)C1=O)NC1CC1 729630857 DYISHYYZWVOIRS-SFHVURJKSA-N 484.355 5.072 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 729668394 IURMAVNENWASMY-UHFFFAOYSA-O 465.595 5.481 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1C 730613283 POZVCOMNLJPEOT-RBUKOAKNSA-N 486.355 5.210 30 20 JKED N#C[C@H](C(=O)CCc1cc(Br)cs1)c1nc(-c2c(F)cccc2F)cs1 730694122 KLOXUCIIODWUJM-GFCCVEGCSA-N 453.333 5.721 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cocn1 730714282 XXCZUYIPWLNBCA-LJQANCHMSA-N 490.919 5.075 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2cc(C)sc2C)cc1 730717523 OBBCMWZUMRFKDT-UZLBHIALSA-N 479.631 5.185 30 20 JKED COc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C)ccc1C 731310840 RBWMMRCHNVAXOB-XMMPIXPASA-N 489.597 5.178 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@@H]2CCCO2)c1 743525220 OTAMZURZZDVWGC-KKSFZXQISA-N 490.000 5.235 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(CCOC(C)(C)C)C1=O 746695509 GRNFVIRBHGYCLU-OAQYLSRUSA-N 483.634 5.087 30 20 JKED CO[C@@H](C)CC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 750152485 DCOMAMFNZXWARU-GQSKFBFOSA-N 468.575 5.206 30 20 JKED N#CC1(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)CCCCC1 787716941 KJJLCVSZEAVNMU-UHFFFAOYSA-N 466.657 5.912 30 20 JKED COc1cccc([C@@H](CNC(=O)/C=C/c2ccccc2C#N)c2c[nH]c3ccccc23)c1OC 799926160 XYGDZMNSLGIOAG-DKUDOZJNSA-N 451.526 5.018 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H](C)c3cccnc3)C2=O)c1 837301155 HDXRJILBBQEHCB-JPYJTQIMSA-N 474.586 5.120 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@H](C)c3ccccn3)C2=O)c1 837420011 NHUMMOOHRRXTBL-BWKNWUBXSA-N 486.641 6.037 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccs2)C1=O)Nc1ccccc1 838540357 FQPWTIQWSCKXMX-IBGZPJMESA-N 457.527 5.187 30 20 JKED CC(C)Cn1cc([C@H]2N(C(=O)c3ccccc3-c3ccccc3C#N)CC23CCOCC3)cn1 849528338 NXFDPWCUUAFWHW-AREMUKBSSA-N 454.574 5.072 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 873724444 YORBLSFJLQOJTC-DLORUIERSA-N 493.585 5.164 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 877084968 ILIALWJRCHKEEN-RDGATRHJSA-N 488.613 5.487 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(Cc2coc(-c3ccc(OC)cc3)n2)no1 904325584 GQQDPNSUIUGPFI-QGZVFWFLSA-N 460.918 5.032 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)cs1 915086618 VPXAJWOGDOOPHI-VWLOTQADSA-N 455.608 6.652 30 20 JKED N#C[C@H](C(=O)COc1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915101974 LTGDIRKZQQIACN-GOSISDBHSA-N 486.380 5.721 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccs1 915103520 WKQYZGMBIODRMV-VDHUAGMBSA-N 453.633 5.116 30 20 JKED C[C@@H](OC(=O)c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1C#N 915545758 RTFQNECQVGFYMD-MRXNPFEDSA-N 479.330 5.084 30 20 JKED CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915784652 YTAMSPZKXCPWHL-URLMMPGGSA-N 489.575 5.585 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1ccc2ccccc2n1 916849923 WMYXCAKSPFAQCK-UQBPGWFLSA-N 457.327 5.994 30 20 JKED N#C[C@H](C(=O)CCCSc1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916887000 LMHOHEWNZRYACQ-QGZVFWFLSA-N 454.951 5.875 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 916905759 PGRNGTUQHXHIAE-OAQYLSRUSA-N 473.621 5.704 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)cc1Cl 916941105 OYSORDWFIMZFRB-IBGZPJMESA-N 482.993 5.097 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccs1 916976574 SOIBCPJRMRCZGB-HNNXBMFYSA-N 486.047 5.772 30 20 JKED N#C[C@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997127 RMAZXHYUHBVNQN-QGZVFWFLSA-N 491.490 7.476 30 20 JKED Cc1nnc(SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1Cc1ccccc1 917043739 OEAYSTXMUFLBGK-MRXNPFEDSA-N 487.532 5.232 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccnc(C)n3)C2=O)c1 917658536 KIHNXCCKSIYONF-QHCPKHFHSA-N 487.629 5.179 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)c(Cl)c2)n1 917672258 QYMQUNTYGOQCEQ-NRFANRHFSA-N 482.968 5.343 30 20 JKED C[C@H](NC(=O)C1CCCCC1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 918490706 VHDDJUBOIBJMFF-LRDDRELGSA-N 450.391 5.378 30 20 JKED CC(C)[C@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1Cl 919207238 POUSLCHEBIMSAS-FQEVSTJZSA-N 451.375 5.305 30 20 JKED Cc1oc(-c2cccs2)nc1CC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 919247015 OHJGFUVTHIOLRA-AWEZNQCLSA-N 469.588 5.027 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc([C@H](C#N)c5ccccc5)cc4)CC3)c2c1 919904355 IMLRDHCHLSKZIV-AREMUKBSSA-N 464.569 6.243 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3ccc(Br)cc3)n2)cc1 920144098 XQZUTJOHZPSFOF-SFHVURJKSA-N 473.417 5.691 30 20 JKED 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Cc1ccccc1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824055182 UKZAUWNKQWUSBJ-NDEPHWFRSA-N 471.645 5.052 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSC3CCCC3)CC2)c1Cl 1824479032 SGVNGXXDPVFNMG-QFIPXVFZSA-N 474.070 5.121 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1824507966 GVJNTJAVMSTISO-AMGIVPHBSA-N 492.660 5.208 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824839715 NULJOCASNBOJJA-UWHSVAFCSA-N 492.582 5.321 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3nc(Cl)ccc3F)CC2)c1 1825365419 KTTZYPMRLJLXRN-HTAPYJJXSA-N 482.987 5.048 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSc3ccccc3)CC2)c1 1826524097 VRTSWDODOHGYOH-HFZDXXHNSA-N 475.658 5.339 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1827545312 HZYDUWFZNCDSLB-XWGVYQGASA-N 491.717 5.148 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cscc2C)CC1)c1ccc(O)cc1 1827809232 NPBVYFNDVUNCDD-JYFHCDHNSA-N 478.658 5.193 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccncc3C(F)(F)F)CC2)c1 1827853597 PPKNFGKJSDASIR-UUOWRZLLSA-N 498.549 5.275 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828156938 YIIJDSYWPPKAMV-UTKZUKDTSA-N 473.614 5.075 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828295494 MWNZGPKSMCFFFZ-DEOSSOPVSA-N 454.014 5.248 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1828422135 NZIBEGHSNRVPOL-NEKDWFFYSA-N 478.677 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCNc2ccc(C)cc2C)CC1 1828826292 BBQRIUPQIVRTTO-AHKZPQOWSA-N 465.682 5.494 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cnc2Cl)CC1)c1ccccc1 1829031625 CKRFJCQOVRIYER-ILBGXUMGSA-N 496.026 5.305 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829572569 ZBKRPUCTYDCKAZ-RDPSFJRHSA-N 489.616 5.252 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829838638 RQBVAVAOWRNFBI-FYYLOGMGSA-N 499.652 5.628 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1829900588 MENCGOOBLUFNPV-HSZRJFAPSA-N 484.427 5.341 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829902466 RQDZJZZQUAEFTE-JXFKEZNVSA-N 468.425 5.028 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3cccc(F)c3)CC2)c1 1829952041 AWTMQOCWVAIFBR-HHHXNRCGSA-N 496.586 5.306 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1830130635 PIWGMQNAPZPNTK-XZOQPEGZSA-N 474.686 5.133 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)cc1 1830631121 ZDJKJGLLGRWWRO-VWLOTQADSA-N 497.561 5.247 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830720683 UYTGSIRYAFVUNC-VWLOTQADSA-N 494.035 5.141 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c(Cl)c1 1830725101 YSPMZPTYLLBOAI-SANMLTNESA-N 476.020 5.636 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c3n[nH]cc3c2)CC1 1830865351 FRFGPBSQQNKUOT-QHCPKHFHSA-N 450.627 5.097 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2Cl)N(C)C)CC1 1831210275 PRXASKKKSXULBH-IZZNHLLZSA-N 486.100 5.331 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1831371302 XAYYPTOOTPPUDN-WZONZLPQSA-N 470.013 5.441 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831449054 WGHDHYUJONWXQD-QHCPKHFHSA-N 475.555 5.071 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1831520816 YHSJGYUNDGGJPB-SWDTZWKESA-N 478.658 5.048 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1832028277 OBQZCHNTVLDSSC-SANMLTNESA-N 475.608 5.315 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3C#N)CC2)CC1 1832794400 MALYHUVTDNWIEK-QIGHUWCUSA-N 479.665 5.019 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccc(Cl)cc1 9051803 DCCYWVPYBBSFSR-UHFFFAOYSA-N 468.026 5.506 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179527 BXZCSVAMPYPRFS-UHFFFAOYSA-O 495.624 6.026 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(CO)c1)c1ccc2c(c1)CCC2 11114106 LFXXNOLGYQQKCT-UHFFFAOYSA-O 485.601 5.321 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)sc2c1CCCC2 11684032 UJFZBMVCPMFVQE-HNNXBMFYSA-N 499.687 5.118 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)n(Cc2ccco2)c1C 20077413 SAZGROTXAAJLHF-UHFFFAOYSA-N 465.966 5.188 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1[C@@H]1COc2ccccc2O1 21119242 JBWVYFVKHCONDE-LIRRHRJNSA-N 490.507 5.115 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1 21729291 SAHIGFNTCUEJIU-QGZVFWFLSA-N 451.983 5.212 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(Br)cc2)cc1OC 22783633 GVPRDQMNRKYUGQ-ZDUSSCGKSA-N 455.190 5.636 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23604743 PQBMWUFRFZJPOJ-UHFFFAOYSA-O 498.628 5.332 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1[C@H]1COc2ccccc2O1 23632744 VUYBUTDNPIQQIY-HXUWFJFHSA-N 466.563 5.532 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1C(=O)N1CCCCC1 29784189 SSHIBMJPBYYTAD-LJQANCHMSA-N 473.598 5.627 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1[C@H]1COc2ccccc2O1 32557083 XXBPNIAUGKJFHE-GHTZIAJQSA-N 464.591 5.021 30 20 JKED Cc1cc(SCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)nc2ccccc12 33144050 QWXNGRPVAFJGOL-GOSISDBHSA-N 460.603 5.005 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 36832190 IVXLZNYRLBPZGM-XNTDXEJSSA-N 461.949 6.018 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 71932934 LOEPTBJEUAUZAK-XMMPIXPASA-N 486.959 5.582 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)nnc1-c1ccccc1C 72025244 BVVYMVACLDXFGB-UHFFFAOYSA-N 483.597 5.977 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)c1C(F)(F)F 106199676 PXTNVXUNBGCYNO-UHFFFAOYSA-N 488.491 5.132 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 108432035 MCBHXORAZYPCCP-UHFFFAOYSA-N 472.629 5.356 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2sccc2[C@H]1CC 217155423 QWSLVGWAMVMPOZ-LJQANCHMSA-N 489.066 5.386 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)cc1 302989274 LBBVJRMKQBDWQU-UHFFFAOYSA-N 474.992 5.778 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](C)N1CCc2sccc2C1 303126393 BDMMNVOZVBTKEF-LJQANCHMSA-N 460.603 5.076 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1 303154073 TXZFBSGBOVGRIM-UHFFFAOYSA-N 467.382 5.341 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1Cl 409777859 RUBDDGHFJMZYKH-UKILVPOCSA-N 488.975 5.435 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(SC)cc1 480432014 GROSFZVZPNMDDC-RUZDIDTESA-N 489.597 5.594 30 20 JKED N#CCCCOc1cccc(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 488498609 WOFMBAYKIHCMAN-UHFFFAOYSA-N 490.610 5.618 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 498304515 FRRSMJIWNQBXPK-UHFFFAOYSA-N 487.606 5.807 30 20 JKED Cc1nc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)sc1Cc1cccc(Cl)c1 498370773 FLWOUWYBKKWWFW-UHFFFAOYSA-N 474.007 5.026 30 20 JKED CCc1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1ccccc1Cl 499187926 FFTSDMOBFSSJQS-GFCCVEGCSA-N 469.904 5.375 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2OC)c1 499365703 ZDBXGKVLDPCFNG-UHFFFAOYSA-N 474.941 5.121 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501419511 GYEXIKKPDZRUPZ-UHFFFAOYSA-N 473.598 5.201 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1Cl 503612444 CEWOJEGPJDOJDC-INIZCTEOSA-N 472.854 5.173 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 509721765 NXTCBQYWSNPOSO-GOSISDBHSA-N 453.546 5.026 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc(C(F)(F)F)cn1 513220272 UWEYUILGGJSWIF-AWEZNQCLSA-N 478.224 5.198 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)cc2)cc1 513863609 KACTYFNCUCSQQS-UHFFFAOYSA-N 472.932 6.557 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 515269867 YBBIVPMMGWXAPE-HSZRJFAPSA-N 486.528 5.099 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 515321901 KBIGZDBRWRMNHI-QFIPXVFZSA-N 452.539 5.182 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)cc1 515608264 BZISOCMRIBECGV-UHFFFAOYSA-N 481.508 5.634 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 516081572 TVEGHGUSORSTPJ-CYFREDJKSA-N 459.977 5.770 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)n2)cc1 516269952 GKJVOFNTJHAUCJ-GOSISDBHSA-N 469.547 5.672 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 517464808 HNWXWIPVVDTXCG-JPYJTQIMSA-N 478.017 5.630 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)N[C@@H](C#N)c4cccc(Cl)c4Cl)nc(O)c23)C1 517491885 FMRGZXXBPZHVSZ-ABAIWWIYSA-N 475.401 5.142 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(OCC(F)(F)F)cc1 517871504 KSBIQPSKBIGRGF-INIZCTEOSA-N 482.462 5.634 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)cc2Cl)cc1 518461023 RRAWMVLXNKLOST-HNNXBMFYSA-N 452.864 5.010 30 20 JKED CC[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1OCC(=O)N1CCCC1 519199167 QQIXOBHUHSHDCN-SANMLTNESA-N 498.583 5.625 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 521706584 ZGDCRXURFQDDBB-SFHVURJKSA-N 450.564 5.794 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccccc2COCc2ccccc2)c1 522537183 YHTPFNJTUNYODM-UHFFFAOYSA-N 452.510 5.377 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 523236193 FAPWNDJZVDRDQH-XMMPIXPASA-N 468.557 5.512 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)COc2ccccc2OCC(F)(F)F)cc1 524245064 HDWOUMZSNDOMOQ-UHFFFAOYSA-N 472.438 5.246 30 20 JKED COc1ccc(CCCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 524438057 LVFJZPLMMWALEJ-UHFFFAOYSA-N 459.546 5.217 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4cccc(Oc5ccc(C#N)cc5)c4)CC3)c2c1 524664356 LNUNPOACVSTUCP-UHFFFAOYSA-N 464.525 6.162 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2COCc2ccccc2)cc1 549141660 VZXYMPWXDSIYED-UHFFFAOYSA-N 493.582 6.326 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)CC1 603460294 SWXQZZYAOYTFFW-LCAADYLOSA-N 492.554 5.476 30 20 JKED C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603622233 OWXUEFPEPVTBMT-PMACEKPBSA-N 484.556 5.166 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 603701917 ISICMMUDRWBCHE-AREMUKBSSA-N 476.536 5.093 30 20 JKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nc2ccccc2n1C(F)F 603846245 HRYNSFNXEYYOOV-KRWDZBQOSA-N 464.453 5.981 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603945972 WZKJOIOHMJPAIN-GFCCVEGCSA-N 491.461 5.584 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)cs1 603996697 QRCGKHGEPKKDMX-UHFFFAOYSA-N 454.577 5.070 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c1 604003093 BAOUYPWTLGIRKX-DEOSSOPVSA-N 481.596 5.439 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 604004023 PHMSUPWUMSYYJQ-UHFFFAOYSA-N 474.517 5.252 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604088061 LKOCOACWAFZXID-UHFFFAOYSA-N 452.518 5.232 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 604562223 ZDZHQBKMCQOYHQ-GJZGRUSLSA-N 487.400 5.954 30 20 JKED C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 608796911 BZFCAVKMBUCIPB-HXUWFJFHSA-N 498.677 5.979 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 608812752 CXQKPLCZCNKMTI-UHFFFAOYSA-N 458.949 5.259 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(Cc3c(F)cccc3Cl)o2)c1 608929522 DENZJEHWAOZGMC-INIZCTEOSA-N 472.973 5.497 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)n2)cc1 608931222 OTNUNHCXPFHBJX-PMVMPFDFSA-N 456.571 5.094 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)s2)cc1 608983366 AQOAYDGFLCBUJC-HXUWFJFHSA-N 473.385 5.518 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc4c(cnn4Cc4ccccc4)c3)cc2F)c1 609104148 QNURKYFODLZZRE-UHFFFAOYSA-N 477.499 5.322 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(OC)c1 610899213 JNXHXVPUCCNTGG-JOCHJYFZSA-N 489.597 5.175 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3C)n2)cc1 613318318 YAVOIDILCHBAGQ-AUSIDOKSSA-N 493.654 5.480 30 20 JKED N#C[C@@H](C(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 613319429 DMDBFATWZJXPDR-INIZCTEOSA-N 492.047 5.190 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cccc2ncccc12 613428215 ZCSYVEUOOCIZBP-INIZCTEOSA-N 479.993 5.364 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618295477 QWMZKTFTDHZXDX-QWRGUYRKSA-N 461.246 5.927 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)cc1 624883837 JSJAMRXGVVTDLW-RNJDCESWSA-N 481.596 5.168 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 626582470 ZLRIFQQTTDCPSQ-UHFFFAOYSA-N 451.530 5.408 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C)c1 726397347 HQZHDOICJQUHML-IIBYNOLFSA-N 474.026 5.342 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2sc3ccccc3c2C)cc1 726570834 LXAPSISAVISZDW-UHFFFAOYSA-O 491.061 6.908 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCc3cc(C)ccc32)cn1 726893280 XWPCJHNCQYMTTM-PKTZIBPZSA-N 486.597 5.046 30 20 JKED CC(C)c1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1 727268819 UOSPTAXSZNZFSG-LJQANCHMSA-N 460.584 5.952 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl 728109335 PIAWMPBIFHATMF-ZDUSSCGKSA-N 459.285 5.221 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1 728475848 SYPWQTDANHUJDY-UHFFFAOYSA-N 476.652 5.710 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)c(F)c1 729818742 GDOSGTXYUFDVTB-JOCHJYFZSA-N 494.498 5.136 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1 730688573 ZQMVOPHVXQYMBF-BEFAXECRSA-N 453.514 5.647 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 730745872 VPPROBVKIRJHDY-HHHXNRCGSA-N 466.562 5.568 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 730996699 YSHJFKWCRIUPJO-AQRZYSDFSA-N 472.599 5.290 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Br)ccc1Cl 731062885 MXLZEUXPQSZKOD-GFCCVEGCSA-N 467.772 5.292 30 20 JKED N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 731136032 KZXLVLVCLKXYKS-HNNXBMFYSA-N 451.773 5.322 30 20 JKED CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C#N)C3CC3)c(Cl)cc2Cl)cc1 731203802 XQSHRCLADZZLRE-FQEVSTJZSA-N 480.417 5.169 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Br)c2)N(Cc2ccco2)C1=O)Nc1ccccc1 732779314 IQYXQENGDNIDLZ-IBGZPJMESA-N 484.375 5.203 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 743524390 JQAAOJBQFXKRBZ-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED CC(=O)CCc1ccc(OCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 747022085 VBNDLSUNTMFYKB-OAQYLSRUSA-N 452.963 5.630 30 20 JKED C=CCc1cc([C@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2ccccc2C(C)C)cc(OC)c1O 747140970 UTUJHWOKEZTQAH-HSZRJFAPSA-N 465.619 5.026 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1cccc2ccccc12 747601928 WWUAFSVEVNCYBZ-QFIPXVFZSA-N 472.595 5.457 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCC(F)(F)F 750397563 ODSJFCMDWYHTAE-AWEZNQCLSA-N 467.394 5.190 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccn(-c3ccccc3)n2)cc1 750704755 JOWSSYSHFJUDHP-UHFFFAOYSA-N 453.502 5.209 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC(F)(F)F 799211770 PFHOAVUEVSGHHT-FQEVSTJZSA-N 471.504 5.671 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CC(F)(F)F)C2=O)cc1Cl 799213223 QBKIRFJSOKTGIC-MRXNPFEDSA-N 473.879 5.310 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CC(F)(F)F)C1=O 799220741 HDQAQLAEJDAHFQ-GOSISDBHSA-N 499.942 5.488 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3ccccn3)C2=O)cc1 837302433 WTJDGQCHKAXCTJ-WMZHIEFXSA-N 458.587 5.420 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837782509 ANASSTWFDDKWLZ-VGSWGCGISA-N 479.005 5.765 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)c3cccnc3)C2=O)c1 838591632 HWERFCQTOGXDSE-UZUQRXQVSA-N 494.567 5.698 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)Nc1ccc(Cl)cc1 912825351 UQZKYDJWIBMFCN-UHFFFAOYSA-O 481.041 5.920 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccco2)c1=S 913055608 PDKGFRPGBOUOJV-UHFFFAOYSA-N 464.982 5.144 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(C)c1 914539542 FAYGFMGGQPYEQC-JOCHJYFZSA-N 492.576 5.007 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@@H](c2ccccc2)C2CC2)C1=O 914540024 NLVUHJNAGIAHEA-ICSRJNTNSA-N 462.402 5.212 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 914551554 GYPFDZKETSOPOO-JOCHJYFZSA-N 492.576 5.007 30 20 JKED Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915086316 JHRFGJUIFURGSZ-AREMUKBSSA-N 499.567 5.843 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 915087189 QICYZXQUDQUMIN-HHHXNRCGSA-N 470.532 5.353 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)c1ccsc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102970 MELAVMOBIJUCQN-AWEZNQCLSA-N 450.372 5.175 30 20 JKED Cc1nc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)sc1SCC#N 916088418 KRNGMTLRIGNRSI-UHFFFAOYSA-N 452.392 5.180 30 20 JKED COc1ccc(-c2csc3ncnc(NN=Cc4cn(CCC#N)nc4-c4ccccc4)c23)cc1 916357561 XZBSVKGOYJAKFD-UHFFFAOYSA-N 479.569 5.590 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 916928922 YODIFFOGPRTEKL-OAHLLOKOSA-N 483.779 6.186 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1Cl 916936899 CCCYIUAYPPEXAJ-FQEVSTJZSA-N 486.915 5.335 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996105 GHTAWDONBCZTCS-GUYCJALGSA-N 462.402 5.474 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1nc2ccccc2n1C(F)F 917040272 JPLJKPSGOGIXEC-FQEVSTJZSA-N 490.460 6.667 30 20 JKED N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 917508026 HSQHTPIJQDMRJW-KRWDZBQOSA-N 456.354 5.642 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)ccc1OCc1cccs1 917644795 LDQFRIUYTHDTLS-MTJSOVHGSA-N 464.593 5.613 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccsc3)C2=O)c(OC)c1 917669798 WHKXWLQTXYLWLS-JOCHJYFZSA-N 495.626 5.234 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)c1 917690374 VHXWAPPXRANGDI-HSZRJFAPSA-N 476.577 5.252 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccco2)C1=O)Nc1ccccc1F 917700105 HAHOOPJVFSAMMD-HSZRJFAPSA-N 473.529 5.732 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cc2ccccc2o1 917701233 LNKHCWOPQDWPEO-DEOSSOPVSA-N 498.539 5.604 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1csc(-c2cc(Br)cs2)n1 919631704 NMQVKAZARDKMBZ-LBPRGKRZSA-N 497.461 5.456 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920140115 BULRXGWAWLNUAJ-QFIPXVFZSA-N 468.538 5.285 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(C)c(F)c2)no1 920356024 NLXKFYJJDOZSCJ-FQEVSTJZSA-N 486.956 5.244 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 920743447 DCHUDMCNDBVXJJ-UZLBHIALSA-N 471.513 5.215 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(N3CCCCC3)c2)c1 920743945 JIPBQJMTXAYZSP-UHFFFAOYSA-N 470.598 5.532 30 20 JKED C=C(Cn1c(C2CCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1539765575 LCEDXYNUKNWVNQ-UHFFFAOYSA-N 451.615 5.000 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1781740874 JOPYJGNRZVAROF-CLIKSALWSA-N 496.598 5.224 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[S@](=O)C(c3ccccc3)c3ccccc3)cc2)CCC1 1786155557 CSCYOPCZJTWRIG-DHUJRADRSA-N 486.637 5.235 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1)NC(=O)OC(C)(C)C 1787285858 DKVYMGRKZQZOKU-NRFANRHFSA-N 483.634 5.355 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cscc3C)cc2)CCC1 1788748430 SWAINAHBMSAMMO-NRFANRHFSA-N 483.634 5.274 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC[C@H]4C)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1789213085 WGMFKXSOSOWDGC-OIBXWCBGSA-N 481.637 5.122 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccn4ccnc4c3)cc2)CCC1)c1ccccc1 1789305524 SLUCJBNMJKZDFT-SANMLTNESA-N 476.580 5.279 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccnc4)[nH]n3)CCC2)cc1 1789508124 OENLPPLIULYUKC-UHFFFAOYSA-N 499.691 5.271 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789880033 UZVUQKBINBAVMQ-QFIPXVFZSA-N 475.614 5.131 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cnccc5[nH]4)CCC3)cc2)c1Cl 1790083843 NKXQECQDCOEOLW-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1790511536 PTBOJZROWAVHFU-XZOQPEGZSA-N 480.992 5.087 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cc(O)ccc5n4)CCC3)cc2)c1 1790764119 VIJKIKBNDLXOKL-UHFFFAOYSA-N 480.499 5.013 30 20 JKED C[C@H](C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1)c1cccs1 1790837146 NMIKUEYYHBEUAJ-INIZCTEOSA-N 469.570 5.047 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc(Br)cnc34)cc2)CCC1 1790964182 OVWDRBFMXATZTA-AWEZNQCLSA-N 484.419 5.063 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)CCC2)cc1 1791250310 NWMCTCXOOTVYKJ-MRXNPFEDSA-N 470.495 5.313 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)CCC2)cc1)C(F)(F)F 1791302991 GLLDQWYGMMIEKR-SFTDATJTSA-N 458.480 5.051 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc(Br)c3OC)CCC2)cc1)C(F)(F)F 1791304864 QAOUBKXCGCZAJF-UHFFFAOYSA-N 497.311 5.324 30 20 JKED COc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1791390034 GDNOHQXYHLNZIA-OVCLIPMQSA-N 465.553 5.222 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccccc4[N+](=O)[O-])cc3)CCC2)cc1 1791522894 DKRANNKZJQTKNE-UHFFFAOYSA-N 486.553 5.006 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc4ncccc4[nH]3)CCC2)cc1)c1ccc(O)cc1 1791646062 BFSXQHLPDOQJDA-NRFANRHFSA-N 492.579 5.213 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1 1792336747 MQFVUJZWRBZOFE-PIIWDFAUSA-N 481.637 5.170 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(Br)cccc2-c2ccccc2)C3)C1 1792502339 STCWWJZMVSMCLM-WKCHPHFGSA-N 479.418 5.334 30 20 JKED CC1=CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#Cc4ccccc4)cc2)C3)CC1 1797694797 JANJNRWRQJNHLY-BPXGVECKSA-N 452.598 5.085 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)cc3cc[nH]c13)C2 1798592812 IMIPQCSZIULEMM-REPLKXPHSA-N 472.427 5.175 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(ccc3ncccc32)s1 1799121513 FHMXJPXKLRRFDI-REPLKXPHSA-N 461.631 5.694 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C#N)c1Cl)c1ccccc1 1799301309 CCBIYBOWYDUDJO-JZWLZXDTSA-N 464.009 5.293 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(Cl)cc2Cl)cc1 1801554421 FMRPQCPJHMAEHP-NUNAXRQHSA-N 484.427 5.069 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)[C@@H]1c1cccnc1 1802495972 HMFODONSZAQTTN-MDQGVCTMSA-N 488.676 5.144 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2F)[C@@H]1c1cccnc1 1802707255 NHIWUCLIBXEEQI-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1802729822 KMFFPBHEHDLFAZ-FYYLOGMGSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1803081730 FUUPEAKERQZKAV-UHSQPCAPSA-N 494.639 5.540 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1803082762 YIKGMPDGZRKYKR-YADARESESA-N 495.048 5.433 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1804165977 GBZVSKPJNANDQS-UFHPHHKVSA-N 485.628 5.312 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807836179 NURGLGGFNCCLDH-GGXMVOPNSA-N 494.639 5.540 30 20 JKED CC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)C1)c1ccccc1 1809013698 XDAWOASWSHLXQR-NRFANRHFSA-N 498.549 5.011 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1810168393 INGZNHXNRPTCAX-OROMBRFGSA-N 482.628 5.473 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1810504324 YKVHPSPGUNQLCE-BVAGGSTKSA-N 488.632 5.052 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccc(Cl)cc4nn3)C2)CC1 1810696846 GAMCRPPCLMQZRR-UHFFFAOYSA-N 469.029 5.120 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1811255357 ZZRUEKDLPNDUOQ-GBXCKJPGSA-N 484.040 5.446 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1813757870 NAOPIWAPYMBRSK-RBJSKKJNSA-N 487.720 5.330 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n[nH]2)c1 1814372085 JQWPLPCANZJESB-QHCPKHFHSA-N 486.963 5.344 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1814828884 WMUUPSAVVAVOJC-LADGPHEKSA-N 484.044 5.127 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1815244012 RUDHMGNJCONTLF-OXJNMPFZSA-N 460.600 5.024 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1815573092 ZZXYRSGOSFSVFC-MRXNPFEDSA-N 494.411 5.606 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)n[nH]2)c1 1816283255 QOKZVQUNVKNOAX-FOIQADDNSA-N 496.493 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc3c2CCCO3)n[nH]1 1817800402 NLMMIOKLCFVTPK-IBGZPJMESA-N 456.612 5.095 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C(F)(F)F)coc2C)n[nH]1 1818288437 WSLPEFARUSXPFG-KRWDZBQOSA-N 466.504 5.628 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1 1818441544 WZJFNYJZKIXZSR-RUZDIDTESA-N 478.556 5.235 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sccc2Cl)n[nH]1 1819957094 HYHFMLBYJBHHNZ-GOSISDBHSA-N 477.106 5.482 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)c(Cl)cc2C)n[nH]1 1820181895 XEAHPJKLSUMXAW-QGZVFWFLSA-N 465.779 5.016 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)[nH]n2)cc1 1821182285 YYSAAIOYTVMQAI-XMMPIXPASA-N 498.974 5.297 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2Cl)N(C)C)n[nH]1 1821759456 NBRKHZCSYKXGAA-VWNXMTODSA-N 484.044 5.127 30 20 JKED C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1ccccc1 1822044544 IKNCHWAZYZMOIX-HXOBKFHXSA-N 475.980 5.434 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)[nH]n1 1822382687 IQCJPKZCPKKPOJ-ABAIWWIYSA-N 493.452 5.011 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1822581200 GEMCPGRNOLLVKM-QFIPXVFZSA-N 485.613 5.672 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C)c2Cl)n[nH]1 1823139234 OHTMQXHLFBXPIQ-IBGZPJMESA-N 479.408 5.314 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 1823701516 LUAOVAHYKIQKBB-OAQYLSRUSA-N 468.947 5.558 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C(F)(F)F)CC1 1824140862 NTFGBSGZKCXXII-SFHVURJKSA-N 469.573 5.164 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1824271959 BIZMJYIHJFHBIN-HRFSGMKKSA-N 474.649 5.125 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824837444 PEKTXYLJYODDMD-OTXYMOGGSA-N 493.570 5.139 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1 1824930576 NHJBGQSIYKJZKL-IDISGSTGSA-N 487.619 5.418 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)CC1 1826682936 OZSWHSXMTCIKSU-IBGZPJMESA-N 456.011 5.092 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 1827336356 FUWJMQINJAEOFD-MUUNZHRXSA-N 492.623 5.476 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1)c1cccs1 1827682847 OZNZWCNINIRKCC-YQTDCCHMSA-N 493.604 5.041 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1828218680 NZNGACNYTGMVLP-SIBVEZHUSA-N 499.611 5.621 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828320029 OKJVZCSCRMWCJZ-DYESRHJHSA-N 475.054 5.379 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)cc1 1828459338 LYFMNICHPJNULD-COMWGTSQSA-N 475.677 5.592 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1828821972 AUNRYYYCTCXFPG-UNMCSNQZSA-N 475.077 5.293 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(=O)OCC)cc2)CC1 1829068589 GLAXFTCVVBLSTO-XMMPIXPASA-N 468.638 5.089 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C(C)(C)C#N)CC3)ccc21 1829695842 SZOITADAYOJAJO-RUZDIDTESA-N 484.644 5.597 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1 1829779938 MFIBHTBCXHLVFY-JOCHJYFZSA-N 473.404 5.049 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829904043 NVAAZKSNSIJIAC-DEOSSOPVSA-N 459.590 5.262 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)c1 1829955604 YBMMPXJNLREFOM-VWLOTQADSA-N 464.009 5.078 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1829955736 QYDKFBIMVVKWKP-XMMPIXPASA-N 475.976 5.505 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830053830 CZLLOZWMZGUKGE-IBGZPJMESA-N 458.471 5.150 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830360859 RSNAPXCDOAJGOZ-MBSDFSHPSA-N 499.677 5.102 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830676830 ZACFHOBSXLRZFA-LXFBAYGMSA-N 489.660 5.696 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721090 XEFWVUJJMPCSQS-CLOONOSVSA-N 496.076 5.626 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1 1830770070 IUEVHOIBEVHGNE-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2O)CC1 1830952531 XMSBGKUTRFQAHC-HSZRJFAPSA-N 450.579 5.140 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1831370945 RHZGHZVOLZLTDE-CUNXSJBXSA-N 484.644 5.471 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1831446273 XURDPUZQAWLQOJ-SFHVURJKSA-N 498.496 5.026 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1831537625 OCPAXJRUAURQPK-BCQCSXDESA-N 473.617 5.014 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1832633445 HVFPUXGLZOVPLV-SIBVEZHUSA-N 477.580 5.008 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c(C)o1 1832701805 SDPJLYWIIOXYAF-RUZDIDTESA-N 477.605 5.102 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(F)cc2C(F)(F)F)C1 1846885108 RRAAJGCWUMPHCV-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2cc(Br)ccc2c1 1847531567 KKBOZBJLOONEGJ-GOTSBHOMSA-N 467.407 5.186 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1ccc(OC)cc1 10405671 AKXAZLJEQNAOTO-UHFFFAOYSA-N 462.547 5.185 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)n1C 11159180 QZGDGHXIMCZBSK-UHFFFAOYSA-O 487.476 6.166 30 20 JKED O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)[C@H](Sc1ccccc1)c1ccccc1 14866677 YNJYQCVWDHOHIW-RUZDIDTESA-N 493.654 5.410 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 18324637 LJPQRDGMBVKGHQ-ZDUSSCGKSA-N 496.017 6.196 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2-c2ccc(C)cc2)cc1 20053398 QUEIRDOWDHZEKZ-UHFFFAOYSA-N 469.570 5.048 30 20 JKED CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccc(Cl)c1 22181959 PLVQFSMIKMXVFV-GFCCVEGCSA-N 458.012 5.160 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2cccc(Cl)c2C)cc1 22728143 MRIDGFMTHWDWAN-UHFFFAOYSA-O 488.858 6.312 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22728239 UQZHIWXJNIKTRE-UHFFFAOYSA-O 482.069 6.683 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 22731101 ABUUROGTFKHDOX-UHFFFAOYSA-O 450.436 6.264 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3ccc(-c4ccccc4Cl)o3)n2)n[nH]c1=S 23041858 LFNXXUVONPDTGX-UHFFFAOYSA-N 457.968 5.340 30 20 JKED COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 23138584 CSFQIFMLJSTHCR-UHFFFAOYSA-N 459.571 5.479 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@H]2c2ccc(OCC)cc2)c1=S 23855382 BBGPMMPBKBLQDL-URXFXBBRSA-N 478.618 5.306 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 25438582 KNMMSBQNXRHXGB-UHFFFAOYSA-N 450.542 5.660 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc3c(c2)CCCC3)cc1 28649339 IAZCAYNJVDTKRF-UHFFFAOYSA-O 473.618 5.237 30 20 JKED N#C[C@H](C(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F)c1nc(-c2ccccc2)cs1 109624176 IGSXCIBFKRFTRV-GOSISDBHSA-N 498.555 6.204 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc(-c2ccncc2)cs1 195662756 CDJZOOFSZCIXRL-LBPRGKRZSA-N 473.402 5.643 30 20 JKED CCN(CC)[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccco1 481712801 OFHXNLFKTXBIGY-QFIPXVFZSA-N 450.514 5.074 30 20 JKED COc1cc(OC)c2cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)[nH]c2c1OC 488030206 XRNBCSYGCMXOEB-UHFFFAOYSA-N 473.504 5.047 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)cc1 500329102 ZNXGQBUBQBNLBQ-UHFFFAOYSA-N 460.599 5.139 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1 508291830 IONFAYNAXKBPTD-XMMPIXPASA-N 486.572 5.326 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 510003793 DRNLYQKZUZIPSL-NOZRDPDXSA-N 475.976 6.382 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510022477 DWDSONCYNJTAEV-RUZDIDTESA-N 487.987 6.131 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1 510508070 NTZFWNKHUPZIKP-MRXNPFEDSA-N 453.493 5.128 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 511367194 YPSKQNXFTPRUSZ-UHFFFAOYSA-N 468.601 5.639 30 20 JKED C=CCn1c(SCc2ccc(OC)c(Br)c2)nnc1[C@H]1COc2ccccc2O1 512936281 UDLDYKAQOCJQRO-LJQANCHMSA-N 474.380 5.040 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(F)cc1 514898329 YDOOFACAUMPEHZ-UHFFFAOYSA-N 476.581 5.194 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 516070619 VXPYNJARONTRJW-HSZRJFAPSA-N 469.566 5.573 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4ccc(Br)cc4[nH]3)s2)cc1 516139373 VDTCWASHXNISSC-UHFFFAOYSA-N 470.377 5.198 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1OC 516270238 QSXGOSQQFZKNML-QGZVFWFLSA-N 472.551 5.313 30 20 JKED CC[C@H](C)n1c(SCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)nnc1-c1ccccc1 517492232 PBOQKPGCIPKKJA-KBXCAEBGSA-N 474.417 5.696 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)n1 517916178 IFSDKLGTBOBPNU-OAQYLSRUSA-N 484.581 5.339 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1Br 518646360 ISEHANSPACGZHM-UHFFFAOYSA-N 465.316 5.274 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 518661205 SSBBSFYXKPFHKM-INIZCTEOSA-N 476.652 6.341 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(SCc4cn5ccccc5n4)cc3)CC2)c1 519137806 QQZFVQBDINPWHD-UHFFFAOYSA-N 468.582 5.182 30 20 JKED N#Cc1ccc(CNc2ccccc2NC(=O)c2ccccc2I)c(F)c1 519171377 UJAJSWWQRNUXIN-UHFFFAOYSA-N 471.273 5.166 30 20 JKED CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519182111 FDIPERBGVWREBD-LJQANCHMSA-N 485.462 5.273 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)cc1 520161984 YXJAWJLIXSGLCZ-UHFFFAOYSA-N 454.574 5.487 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 520214236 LIEZBKWYBOYHOC-QFIPXVFZSA-N 472.608 5.269 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1C 520456109 HSZWLZXTCFLHHM-UHFFFAOYSA-N 464.573 5.533 30 20 JKED O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 520864899 UGJYPWYROGXDPE-UHFFFAOYSA-N 486.391 6.101 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1Cl 521768328 CZEUZXPZVRSOAX-MRXNPFEDSA-N 466.781 5.009 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1 522232475 RAXYLQRKIJXNCQ-HXUWFJFHSA-N 494.551 6.216 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1 524391036 RMSKSSRZOCPPJW-UHFFFAOYSA-N 486.549 5.265 30 20 JKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524425652 WPYOBJOJNZXSJL-HNNXBMFYSA-N 483.902 5.227 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCNc1ccc(C(F)(F)F)cn1 524439927 PRHBNUXYXROHCG-UHFFFAOYSA-N 483.494 5.483 30 20 JKED Cc1c(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)cnn1-c1cccc(C(F)(F)F)c1 551216843 HYTXNACGUAHZAN-UHFFFAOYSA-N 461.337 5.532 30 20 JKED CCN(CCC(F)(F)F)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 591494349 WIGQIFMZPCNZSN-UHFFFAOYSA-N 465.369 5.903 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 603530566 ALODAYROYSXMOR-UHFFFAOYSA-N 453.586 5.248 30 20 JKED CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(COc2ccccc2C#N)o1 603949416 RLCQWTKILQTNDC-UHFFFAOYSA-N 486.355 5.528 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 603972116 WZIKFDROECFEFI-UHFFFAOYSA-N 482.384 5.845 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1 604003501 KGAGFCZVVKIKSU-UHFFFAOYSA-N 487.357 5.532 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2)n1 604027122 GYBPDQQMEMHVLO-UHFFFAOYSA-N 476.945 6.240 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604137389 GUDRBEDLYSXTTF-MRXNPFEDSA-N 463.921 5.219 30 20 JKED C=CCN(C(=O)c1csc(-c2ccccc2C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 608931724 TYAGTYDWHPHVCK-UHFFFAOYSA-N 462.556 5.983 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3cscn3)CC2)cc1Cl 608994775 URLAIPFUNLUWDP-QFIPXVFZSA-N 466.010 5.192 30 20 JKED CN(C[C@H](O)COCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609206236 FVCUHHHLBUFPMH-UPVQGACJSA-N 463.965 5.037 30 20 JKED CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 609402638 FBHLOYPQLIDPQN-FXAWDEMLSA-N 458.027 5.824 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nnn1-c1cccc2ncccc12 609426768 XOJDMENCICUDHF-UHFFFAOYSA-N 482.491 5.401 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609434049 QXMDLLUPIAVCBS-INIZCTEOSA-N 477.461 6.031 30 20 JKED CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1 609602628 PEXMVJAJISFZEG-UHFFFAOYSA-N 459.552 5.005 30 20 JKED O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618300974 IARSTJAINKLYOD-STQMWFEESA-N 490.391 5.961 30 20 JKED N#C[C@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 620304251 NGXNOLTWVJZLMN-GOSISDBHSA-N 483.503 5.826 30 20 JKED C=CCn1c(Sc2cc(C)nc(-c3cccnc3)n2)nnc1-c1ccc(Br)cc1 620615575 IORPKXWUJMYOSE-UHFFFAOYSA-N 465.380 5.205 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@H](C)c3cccnc3)C2=O)c1 726419113 CLSBSPTUFSPCQJ-ZHSCBAALSA-N 492.670 5.911 30 20 JKED N#CCOc1ccc(CNC(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 727843257 WHZCNKKCVFYQKA-UHFFFAOYSA-N 485.975 5.137 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccc3ccccc3c2)no1 728424726 HCDODRPRJCWWMX-DEOSSOPVSA-N 495.564 5.168 30 20 JKED Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cs2)cc1 728668834 BEQAJDHQNLTDLP-UHFFFAOYSA-N 483.549 5.654 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1 728676452 SHXOFCKWOXJDRZ-UHFFFAOYSA-N 491.516 5.554 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(CCCCC#N)C2=O)cc1 728777064 XVSWMKYHAKGHPD-FQEVSTJZSA-N 488.535 5.668 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)cc1F 728780422 SVAJNPRCMFLCHX-FQEVSTJZSA-N 474.508 5.067 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3scnc3C)C2=O)c1 729145176 JJBAUPJOTMNUTA-HXUWFJFHSA-N 499.061 5.882 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1OC 729425862 JVLAIMBTWOIWOY-NRFANRHFSA-N 452.963 5.644 30 20 JKED CCOc1ccc(-n2c(-c3ccncc3)nn(CN(CCC#N)CC(C)(C)C)c2=S)cc1 729467923 ISPFNISTKFFEHU-UHFFFAOYSA-N 450.612 5.083 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 729633613 FSOPNHDCLDTVCP-NRFANRHFSA-N 482.968 5.343 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C1CCC1 730461178 LXRHDOLUTXESIB-HSZRJFAPSA-N 459.571 5.361 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1C[C@H]1CCCO1 730525561 UGHHWKFYNDPOLD-OFNKIYASSA-N 465.619 5.005 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3cccnc3)C2=O)c1 730943312 CAIWASCLEIHFAX-MBSDFSHPSA-N 476.577 5.559 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1F 730945323 QEYVSVFQHFJAIO-NYHFZMIOSA-N 498.530 5.529 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 731060253 DJSCUQCDWCGUCH-SWEXZPIWSA-N 480.586 6.004 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 731068806 ITEAMRYBUQIXNE-UONOGXRCSA-N 467.374 5.194 30 20 JKED N#C[C@@H](C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 731136286 PIQCIDKIGVZALI-HNNXBMFYSA-N 497.823 5.143 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(C2CCCC2)C1=O 743523709 BJTDYTWVYFQUOP-OAQYLSRUSA-N 455.555 5.046 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 744597559 WNNQKPWARWZOIE-ZDUSSCGKSA-N 492.359 5.748 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cc(Cl)cc(Cl)c1 745989236 MWRRQUWLRFKGQT-LJQANCHMSA-N 494.400 5.157 30 20 JKED CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1OC 748583463 FAVXJPOEQREHEU-WTKPLQERSA-N 460.324 5.099 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)c2ccc(C#N)cc2)cc1Cl 748724919 PMPOTIYEGLAMOS-NDENLUEZSA-N 493.997 5.642 30 20 JKED COc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(Br)c1OC 749187950 CWBUEAHUNCFIAH-FQEVSTJZSA-N 480.362 5.443 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 749704922 HFROAFVYSUVVAD-IFMALSPDSA-N 495.649 5.249 30 20 JKED Cc1sc2nc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)nc(O)c2c1C 750395857 SQOHNKLAPDJQJC-OAHLLOKOSA-N 468.991 5.600 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccccc1 750399280 ZZNKGTGVTONLHN-YOEHRIQHSA-N 482.034 6.148 30 20 JKED CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 751331766 CBLCQRCSNIVEKM-JOCHJYFZSA-N 482.371 5.591 30 20 JKED C=CCOc1c(Br)cc(/C=C2/SC(=S)N(CCCSC)C2=O)cc1OCC 814267293 ZZEPCKLTULYCTE-FOWTUZBSSA-N 488.494 5.367 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cnc2c(c1)c(C)nn2C 818577614 QDTYMKPEWAFVED-JOCHJYFZSA-N 486.557 5.111 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 837349458 XXRDDJZBFCQVMK-HXUWFJFHSA-N 469.563 5.056 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C3CC3)CC2)c1 837637878 IZPQNPHZZBZRAA-DEOSSOPVSA-N 494.636 5.030 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cccs2)cc1 838099325 NGZKXVLOACXXEQ-QFIPXVFZSA-N 495.626 5.316 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1OC 838504410 OLQMLOQSJOGZSU-QGZVFWFLSA-N 464.374 5.148 30 20 JKED COc1cc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)ccc1OC(C)C 914849663 ZPLDRRQNGVQPRK-UHFFFAOYSA-N 489.597 5.015 30 20 JKED N#C[C@H](C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1nc(-c2ccccc2)cs1 915101695 GNQYPCLDEKMHJI-OAQYLSRUSA-N 465.534 5.216 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(C#N)c2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 915991687 IFULDOUNGCAPDH-UITAMQMPSA-N 464.880 5.273 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1Cl 916057691 VOWPNJDTGPFJCK-NRFANRHFSA-N 475.957 5.443 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2F)cc1OC 916136429 MZQZRWXWAILRRG-YRNVUSSQSA-N 469.896 5.410 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1C 916204231 AVNJMIUHFKJFTO-GOSISDBHSA-N 480.417 5.217 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C)cc1 916216048 NYPXZLQIEFREIB-HSZRJFAPSA-N 477.561 5.303 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)cs1 916287346 ACMPUTSFQDAKKG-UHFFFAOYSA-N 484.006 5.014 30 20 JKED CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2C(F)(F)F)cc1 916305619 XZLCPZQOCKPGJM-UHFFFAOYSA-N 472.496 5.108 30 20 JKED N#C[C@H](C(=O)CSc1nnc(Cc2cccs2)n1CCc1ccccc1)c1ccccc1 916622961 TYHCABFEQZCPNB-QFIPXVFZSA-N 458.612 5.142 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916828037 LHIUCRXVBYKKBW-QHCPKHFHSA-N 458.539 5.026 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1Cl 916928263 IOXDPNPIPOYSNJ-ZJHLSUJBSA-N 495.206 6.392 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1Cl 916939928 VKMXYRXPHOCECA-MRXNPFEDSA-N 460.342 5.016 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c(C)c1Cl 916944402 CXAZSOXIFIYWIT-GOSISDBHSA-N 461.736 5.411 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(C)c1 917380328 VDGBLAHUYSGOMZ-QHCPKHFHSA-N 488.016 5.572 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)cc2)n(C[C@H]2CCCO2)c1=S 917457302 FZOKDIRFOXKCPN-HSZRJFAPSA-N 465.598 5.141 30 20 JKED CC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(OCc4cccc(C#N)c4)c3)SC2=S)cc1 917643168 DFGONTIDLYHHKS-OYKKKHCWSA-N 470.575 5.746 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 918304236 SFJCREQCMGUKCG-CQSZACIVSA-N 455.432 5.187 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)o1 919514664 WFLYXDWROVJSEB-UHFFFAOYSA-N 466.493 5.117 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccn2)ccc1Cl 919827301 KQRZJZVGMUXETI-HSZRJFAPSA-N 482.005 5.094 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc3ccccc23)s1 920169317 FLNVHQQXSVQGKN-OPAMFIHVSA-N 463.628 5.571 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)cc1 920354518 DKDIBHWGDFBNRY-NRFANRHFSA-N 484.528 5.039 30 20 JKED COc1ccc(OCc2nc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)cs2)cc1 920367953 JRLCZJIWDDEPIZ-UHFFFAOYSA-N 492.413 5.467 30 20 JKED Cc1ccccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806443 LHJGWWAORLNXAH-OAHLLOKOSA-N 466.538 5.551 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)cc1C 920891568 AWURTHOEQSHBSU-QGZVFWFLSA-N 495.377 5.027 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)COCC(F)(F)F)cc1 921255359 ZQOZADJNXJXWIG-YLJYHZDGSA-N 493.551 5.231 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3sc(-c4ccccn4)nc3C)CCC2)cc1 1786366259 WMJDLLMCJJKCLW-UHFFFAOYSA-N 490.629 5.244 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)CCC2)cc1 1786393641 IVMHZDHNVTUKER-FQEVSTJZSA-N 490.551 5.055 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccco4)cc3)CCC2)cc1C#N 1786915808 HFHMEGWCRMTCOU-ACCUITESSA-N 469.541 5.400 30 20 JKED O=C(CCc1ccccc1Cl)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1787804781 ONINWAMZERTGLB-OGLMXYFKSA-N 463.965 5.119 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Oc4ccccc4)cc3)CCC2)cc1 1788029649 VMXGOSITMGPGBD-UHFFFAOYSA-N 496.611 5.508 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)CCC2)c1Cl 1788896188 DRKAZDUZJXCIEC-UHFFFAOYSA-N 473.916 5.002 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4OCCO5)cc3)CCC2)c1Cl 1789002708 HIWPRULNWPLGPG-UHFFFAOYSA-N 487.943 5.044 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5[nH]ccc5n4)cc3)CCC2)c(Cl)c1 1789270642 SGHOOYCAAFABDV-UHFFFAOYSA-N 469.932 5.149 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1 1789388874 DNHXMSLZGKZTEQ-UHFFFAOYSA-N 468.944 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)c(NC(C)=O)c3)CCC2)cc1 1789457948 HUIHZPIDAZFEPF-XMMPIXPASA-N 459.590 5.470 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CN(Cc3ccccc3)C(=O)OC)CCC2)cc1 1789458149 NGRGGHXNVWJBAE-RUZDIDTESA-N 489.616 5.158 30 20 JKED C[C@@H](Nc1cccnc1)C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508732 DXSFTLNMYNDSAI-OAQYLSRUSA-N 476.697 5.067 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccncc4)[nH]n3)CCC2)cc1 1789626294 JDDWMQACLQGIBM-UHFFFAOYSA-N 457.578 5.212 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3cc4cccnc4cc3F)cc2)CCC1 1790477279 MLEMSVWHNXGRCX-UHFFFAOYSA-N 457.549 5.244 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(Br)c3F)CCC2)cc1 1790567215 JCQJELXCTBXVJF-OAHLLOKOSA-N 490.373 5.137 30 20 JKED O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1 1790645847 XFWZBKFPDTUPPX-UHFFFAOYSA-N 462.365 5.545 30 20 JKED Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)ccc2[nH]1 1790988878 LYPLPCSWZWBWSH-UHFFFAOYSA-N 466.516 5.549 30 20 JKED CCN(CC)C[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791069868 UJRGKYPHIVBNOQ-LEWJYISDSA-N 460.622 5.039 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)c1 1791323852 LSSPNVLOJPONGS-GIVPXCGWSA-N 457.574 5.141 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)[S@@](=O)c4ccccc4)CCC3)cc2)c1 1792127273 UXFLJCKNKZGSOS-QGMQUNCBSA-N 499.636 5.258 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(C)C)no4)CCC3)cc2)cc1C#N 1792168687 SVTGRALCCRRPKY-UHFFFAOYSA-N 486.572 5.518 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc2)CCC1 1792391427 APDSJIRAGHLDPH-AGILITTLSA-N 495.664 5.534 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)ccc2s1)C(F)(F)F 1798080165 CDBOOLABAPFCQJ-QDMKHBRRSA-N 487.341 5.034 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1 1800279764 UKJCFWYFXOBZNL-SPGPFUFCSA-N 464.556 5.330 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1803078301 TVFRMUKMBZOUKO-IGKIAQTJSA-N 484.600 5.133 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1803082869 YSVYDZHWFWNIAF-URXFXBBRSA-N 451.998 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)C1 1804858929 YJCASUMQBCPVLW-UHFFFAOYSA-N 456.030 5.659 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1806063000 JDFBHDLUUGNUGX-XMMPIXPASA-N 495.714 5.696 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4CCCCC4(F)F)C3)CC2)cc1C#N 1806208250 NZDZRLUFFKVPHL-QFIPXVFZSA-N 487.591 5.016 30 20 JKED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1806622930 WPJDHUCWFJQJNR-VEEOACQBSA-N 485.587 5.120 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809491210 QRISPBCKVSXALA-SQCRTRKFSA-N 471.601 5.539 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccoc2C(F)(F)F)[C@H]1c1cccnc1 1810500015 KTYRLGFPYJKLIM-HKUYNNGSSA-N 463.500 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1810502471 JIFBELDUSKFGBU-IRLDBZIGSA-N 489.538 5.292 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1811418975 DGQHMOORAURLKV-NVQXNPDNSA-N 493.051 5.533 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1813838121 WVCWSCYJPHHQKU-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cnc3ccccc3c2)n[nH]1 1814727601 HFEJQDIZQOBJMK-XMMPIXPASA-N 473.621 5.575 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1814828921 XZCYNMJKJZPQPY-OAQYLSRUSA-N 496.409 5.118 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccncc3-c3cccc(C)c3)n[nH]2)C1 1817739056 ZYQHWQBIHGZXHV-XMMPIXPASA-N 455.562 5.052 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cccc2Cl)[nH]n1 1818116694 CCAIUEKZHWNBPC-OAGJVSPASA-N 486.956 5.009 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ncsc34)n[nH]2)c1Cl 1819154821 HLHLVALNUWHARF-IBGZPJMESA-N 490.976 5.164 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)[nH]n1 1819552072 DKUYLITWBBGMOJ-QGZVFWFLSA-N 464.397 5.410 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)cc1 1820587952 JFQQEPDVYJWNHR-OAQYLSRUSA-N 481.478 5.114 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821048825 SDMKNSNZLRKFJL-DVECYGJZSA-N 489.576 5.309 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3OC(F)F)[nH]n2)c(Cl)c1 1821279128 YURGGNYXWFTCKF-LJQANCHMSA-N 499.905 5.156 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)CC1 1821280488 VKIWCXRCQUCYKZ-QLVMHMETSA-N 453.974 5.067 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821290157 PAVYNYAMDCAJTG-SJKOYZFVSA-N 453.345 5.374 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(C)cc2Br)n[nH]1 1821360935 XGQVLQACRCOFBK-KRWDZBQOSA-N 499.331 5.137 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821427532 YDBAOPFLKVTAHZ-REWPJTCUSA-N 477.996 5.686 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1821986602 SNMJEUQJXUUTBE-SFHVURJKSA-N 495.452 5.427 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1821987472 YAHWIHMEUGZLIL-LJQANCHMSA-N 494.502 5.063 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1 1822576561 UVJDKUQFTLECQK-XMMPIXPASA-N 457.578 5.213 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1822579879 MDFQEZZBCYKUQO-NRFANRHFSA-N 479.968 5.218 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2C(F)(F)F)n[nH]1 1823303457 UVTJQLBKBZVDDL-FZKQIMNGSA-N 452.452 5.086 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1823659853 ISTCDDCZJQXQDO-HSZRJFAPSA-N 497.064 5.266 30 20 JKED Cc1snc2sc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)CC3)cc12 1823812773 PRLZYUQHZAPGJD-QFIPXVFZSA-N 492.670 5.014 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824143557 RMAFNNXNSHZKMS-QHCPKHFHSA-N 454.014 5.213 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1824448851 FYYMCMFNIJFERW-ZNZIZOMTSA-N 466.666 5.411 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1)C(F)(F)F 1824827672 JABILUJNYQGSPU-ABHNRTSZSA-N 468.482 5.093 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826510842 IBLDPOVRUZXCKG-HSZRJFAPSA-N 462.556 5.061 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330628 WGCVIORRPTZKIC-CUNXSJBXSA-N 459.634 5.503 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1827385121 HJYYDNGRXXTSHI-AJTFRIOCSA-N 484.644 5.471 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)cc2c1 1828122595 JWOFQCYIGAYBNB-RUZDIDTESA-N 489.019 5.549 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1)c1ccc(O)cc1 1828189993 AVZIGVNWOXXDNZ-IGKIAQTJSA-N 498.623 5.569 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1F 1828903283 DZUKQQQNRGRPKW-DEOSSOPVSA-N 486.704 5.119 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ncsc3[nH]2)CC1)c1ccccc1 1829131792 XBXSPESZOIPSKX-RCZVLFRGSA-N 488.657 5.055 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1829518310 HSYOWWHWJKYLGT-GDLZYMKVSA-N 492.623 5.096 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1830131166 WBSOUBSHRBXOOZ-QFIPXVFZSA-N 476.702 5.357 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCC2)CC1 1830356558 CKTVTPQXRNDSAE-PKTZIBPZSA-N 489.701 5.046 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)cc1 1830628359 JUFZBOUYRDHCII-JOCHJYFZSA-N 461.587 5.107 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1830633004 ANHHMGZOZYGJPD-AHWVRZQESA-N 490.047 5.369 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)C1 1830680583 VSJRJVNPIXACQG-MHZLTWQESA-N 482.628 5.429 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c(Cl)c1 1830720399 JUIRXGSGDGBJHB-RUZDIDTESA-N 494.010 5.316 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1830769652 UYCRHOSSKMBHBC-SANMLTNESA-N 477.725 5.151 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccccc3o2)CC1)c1ccccc1 1830851924 UBICCWLTYXSVEH-RSXGOPAZSA-N 483.612 5.258 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1831447529 WJZRNMMLDVSIDR-OAQYLSRUSA-N 482.999 5.572 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C(C)C)cc2)CC1)C(F)(F)F 1831454687 GHXADWAZNMEPMH-JOCHJYFZSA-N 450.545 5.091 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@H]2CCCCO2)CC1 1831577666 OTAMEGTYXHHPBJ-AWDJQHGGSA-N 477.690 5.132 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)CC1 1831853987 ODZVLWHABVOBFP-RPWUZVMVSA-N 489.701 5.046 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1831857347 GQBPCXNFAJVFCB-HYBUGGRVSA-N 483.653 5.333 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1832034059 GWTCYMZJSUJWAI-AREMUKBSSA-N 465.613 5.053 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1834458315 AEIZYPGDAXGTNL-KCWPFWIISA-N 481.725 5.380 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C)c3Cl)CC2)CC1 1836698108 SIFAHTYTTRTPRZ-UHFFFAOYSA-N 459.030 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C(F)(F)F)coc3C)CC2)CC1 1838147930 WAAXBBUBYXBNDK-UHFFFAOYSA-N 484.559 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4occc4c3)CC2)CC1 1838244196 XBTSILGASDJRFQ-UHFFFAOYSA-N 452.595 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)C1 1845638494 WNEGXDMKJPQWOA-QGZVFWFLSA-N 490.829 5.169 30 20 JKED N#CCOc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 15352564 SIOFCAXAIXNDLZ-RMKNXTFCSA-N 453.248 5.416 30 20 JKED COc1ccc([C@@H](CNC(=O)CSc2nc(C)cc(C)c2C#N)c2c[nH]c3ccccc23)cc1 19139420 SZWPSFOSFBXRFM-HSZRJFAPSA-N 470.598 5.100 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccccc2Cl)cc1 22730347 WFAYSFKPYSHZIC-UHFFFAOYSA-O 474.831 6.003 30 20 JKED O=C(/C(=C(/S)NCCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)c(F)c1 22735411 ZRDNOPFVXUZMDX-UHFFFAOYSA-O 487.595 5.614 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nc2sc3c(c2c1=O)CCC3 23405314 ZIALPLIJSYDXAH-CQSZACIVSA-N 474.051 5.522 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1 23603229 JIYIBOZCCXXEDB-OAQYLSRUSA-N 499.615 5.868 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(-c2ccc(C(F)(F)F)cc2)no1 25352952 JCIUYSAGMNTDAB-UHFFFAOYSA-N 491.470 5.543 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 25837807 UCYRXEAZSINXIZ-RUZDIDTESA-N 484.987 5.602 30 20 JKED C=CCN(C(=O)COC(=O)c1c(C)cc(=O)oc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26015193 SPPRDSAZHLLMJE-UHFFFAOYSA-N 493.368 5.063 30 20 JKED C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 26338099 ITSPOZZNSWFXLU-CYBMUJFWSA-N 475.343 5.066 30 20 JKED Cc1cccc(-c2nnc([C@H](C)OC(=O)[C@H](C)Sc3cc(C)c(C#N)c4nc5ccccc5n34)o2)c1 26467790 QKPXDBPWHXCARJ-ROUUACIJSA-N 497.580 5.811 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)c1C#N 27737138 GVOHHBMCEWJWFG-NRFANRHFSA-N 483.645 5.472 30 20 JKED Cc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1NC(=O)c1ccccc1 32291330 SQJLBFOSFDCOQF-UHFFFAOYSA-N 461.521 5.950 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nnc1-c1ccoc1C 36241054 QROWWAMJBLZTER-UHFFFAOYSA-N 479.631 6.028 30 20 JKED COc1ccc(Br)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 46861670 NTZJMBAQANRKPM-IBGZPJMESA-N 455.739 6.019 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 78493734 JOHXVOMLJLFJKS-UHFFFAOYSA-N 476.561 6.188 30 20 JKED CCOc1ccc(-n2c(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2cccnc2)cc1 114996408 SPIYLHFLKIADAA-FQEVSTJZSA-N 498.612 5.155 30 20 JKED N#CCc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 302631852 DDAQANOOUZTQJE-UHFFFAOYSA-N 460.342 5.113 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 409456499 GSWXUFDMRCLLDJ-UHFFFAOYSA-N 488.819 5.845 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(Oc4cccnc4)c(F)c3)c2)cc1 409779213 IDAVBQWYRBUIQU-UHFFFAOYSA-N 482.515 5.980 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccnc(OCc2ccccc2)c1 478975115 FVJBGLRWTANMFX-UHFFFAOYSA-N 451.551 5.613 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(NC(=O)C4CC4)c3)s2)c(C(F)(F)F)c1 487417436 DQQXSRAGXXSYDN-UHFFFAOYSA-N 470.476 5.225 30 20 JKED C=CCN(C(=O)c1sc2nc(C(F)(F)F)ccc2c1C)c1nc(C(=O)OCC)cs1 501947686 LRTUZWSYOZIUBP-UHFFFAOYSA-N 455.483 5.090 30 20 JKED N#Cc1cn(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2c1=O 502819949 PSXMYUCWKWUDII-LJQANCHMSA-N 460.748 5.197 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)c2C#N)C1 506604444 WIBQMKMPCSVDRC-INIZCTEOSA-N 451.592 5.137 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3c(C#N)cnn3-c3ccccc3)s2)cc1Cl 506674356 KXHBAWLKZKOGQX-UHFFFAOYSA-N 481.994 5.032 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 508252094 NKXVKEHDKIXVFL-UHFFFAOYSA-N 456.546 5.277 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 508385815 IQVMETYUUHGSCY-QRWLVFNGSA-N 464.418 5.669 30 20 JKED COc1cc(Br)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OC 509393053 NEXHKDICSNNMKI-UHFFFAOYSA-N 467.319 5.169 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(c4nc5ccccc5s4)CC3)s2)cc1 510239507 INNSBQPSQVMADL-UHFFFAOYSA-N 492.655 5.723 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)o1 510672817 YQHQMGUVIFYVNJ-GOSISDBHSA-N 459.527 5.166 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(Br)ccc2OCc2ccccc2)n1 512964604 SFVFQIRUNPEGKC-KRWDZBQOSA-N 485.359 5.151 30 20 JKED CCn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C#N)nnc1-c1ccc(Cl)cc1 515683952 PXGKNBYTZVHVLX-UHFFFAOYSA-N 480.018 5.949 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC(c4ccc(O)cc4)CC3)cc2Cl)cc1 517278906 CTSAISSEDGXCMT-UHFFFAOYSA-N 475.932 5.054 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C 518193911 DDLCIBPNDYQZQE-UHFFFAOYSA-N 475.911 5.380 30 20 JKED Cc1ccc2nc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)sc2c1 518252135 HXUGTGIAGUSMOV-UHFFFAOYSA-N 458.568 5.460 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c3c(C)noc3n2)c(C)s1 521327006 LZLIEOWEAHKKKS-ZDUSSCGKSA-N 462.600 6.523 30 20 JKED COc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1OCc1ccc2ccccc2n1 524386479 CGDWZCQLYNBVDD-SFHVURJKSA-N 453.498 5.100 30 20 JKED O=C(CCCCOc1ccc(Br)cc1)NCC#Cc1cccc(C(F)(F)F)c1 524567678 WRJZQCOFTLLLOO-UHFFFAOYSA-N 454.286 5.185 30 20 JKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSCc1ccc(Br)cc1)CCCC2 603614763 DJZLVYFPKVIJGH-GOSISDBHSA-N 488.451 5.052 30 20 JKED COc1ccccc1[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCCCC1 604181277 AZXBFXGZARWFNN-AREMUKBSSA-N 485.653 5.816 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604257651 JXNGZZSMURLBCJ-QZTJIDSGSA-N 456.386 5.340 30 20 JKED CCOC(=O)c1sc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)c(C#N)c1C 604295388 ZNIAEFOKYXJSOY-UHFFFAOYSA-N 488.363 5.094 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)c2)cc1 608786295 JWNFESKBRWAARQ-UHFFFAOYSA-N 478.508 5.699 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)c2)cc1 608994672 PTTSCTXQWBQUJZ-RUZDIDTESA-N 496.394 6.244 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 609078839 QRIURHXXFBZUCC-HHHXNRCGSA-N 469.541 5.490 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 609079336 XFEYKTKTFZFAJX-JOCHJYFZSA-N 492.579 6.302 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc2ccccc2n1C(F)F 609079834 JTBWXFFRMPKHNW-OAHLLOKOSA-N 495.917 6.418 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)cc2Cl)cc1 609207185 KIWNUCKKOZHPIK-FQEVSTJZSA-N 493.926 5.571 30 20 JKED Cc1ccc(-n2nc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c3c2CCC3)c(F)c1 609326852 PTVAGCWBDSFLSM-UHFFFAOYSA-N 453.477 5.120 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 609376820 KCRUDGAXVIIVOS-HNNXBMFYSA-N 463.563 5.639 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 609377121 PDINATCUYITJDJ-AWEZNQCLSA-N 461.534 6.262 30 20 JKED CCCCN1C(=O)c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2C1=O 609381707 MYSAZWUGOJGVJU-UHFFFAOYSA-N 475.492 5.360 30 20 JKED CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N 609429092 DHIJGSMVUAMTDF-CYBMUJFWSA-N 455.399 5.043 30 20 JKED CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 609437913 WVYWAMCVYWJOCZ-YLJYHZDGSA-N 458.027 5.966 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)n2)cc1 613317973 BCEARMCUYPNNRX-QGZVFWFLSA-N 470.451 5.952 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 613414788 CJPSLPLPDITRLQ-MOPGFXCFSA-N 490.604 5.693 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622092889 KFGBILVGDUMOII-SWHYSGLUSA-N 464.372 6.317 30 20 JKED COc1ccc(F)cc1CC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517188 CGRTWEBAMOKXHQ-SFHVURJKSA-N 465.365 5.015 30 20 JKED O=C(N[C@@H]1CCSc2c(F)cccc21)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 641860784 TWBKGIQJFPGFFB-MRXNPFEDSA-N 489.416 6.016 30 20 JKED CCOc1ccc([C@@H](CNC(=O)NCC#Cc2ccccc2)c2c[nH]c3ccccc23)cc1OC 642664665 CZOIZBGQQCWTJI-XMMPIXPASA-N 467.569 5.058 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](c2ccccc2)C2CC2)cn1 726114773 YXKDNJQVPVRNPK-LADGPHEKSA-N 491.592 5.154 30 20 JKED C[C@@H](CN1CCCC1=O)n1c(-c2ccc3nc(O)oc3c2)csc1=Nc1ccc(C#N)c(Cl)c1 726392038 YIHNDBANIIOSJT-AWEZNQCLSA-N 493.976 5.004 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC2CCC2)cc1Cl 726408135 XKGKJMJQHBJXKN-FQEVSTJZSA-N 488.947 5.250 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2cccs2)C1=O 726422161 SZBKPEHXGVOTTO-QGBHTJAESA-N 485.656 5.408 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)c1 727591364 XEVHDNQXZNLWCZ-FPCFPJRVSA-N 482.650 5.081 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)n(Cc2ccco2)c1C 727927403 GTSAMJKJAQJRIP-QZTJIDSGSA-N 486.355 5.210 30 20 JKED COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 728062423 NPJBWTNPDRENPF-KRWDZBQOSA-N 477.948 5.325 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 728184931 AYMFOAQLCSDGJX-KRWDZBQOSA-N 477.611 5.443 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CCCCC#N)C2=O)c1 728775794 CSQLRCLZSZFHJS-XMMPIXPASA-N 486.597 5.503 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1F 728780808 ZVHBYFUFMHPMOZ-HXUWFJFHSA-N 472.973 5.442 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(C)[C@H]2CCSc3ccc(Br)cc32)c1=S 728909854 PMGKPIBBQFYUTJ-SFHVURJKSA-N 488.480 5.551 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 729416646 UEDHRLHFMNVEDL-UHFFFAOYSA-N 469.372 5.102 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2C2CCC2)c1 730462276 MBHSLDLFZGNZMP-QHCPKHFHSA-N 497.617 5.005 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3cccnc3)C2=O)cc1 730942267 KTDHYMTXCRMGPM-HTAPYJJXSA-N 462.550 5.251 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 731063148 JEWURAZBQQHJSI-CQSZACIVSA-N 499.390 5.029 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2)cc1F 731308875 RNNGTSXXJTXTAB-QHCPKHFHSA-N 493.560 5.009 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccco1 731310666 MVVSLJUKSDQFQU-HXUWFJFHSA-N 469.950 5.108 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cc2ccccc2[nH]1 731310787 PXWDLHAYNPNELR-DEOSSOPVSA-N 484.581 5.342 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 746695513 GTBVTULIDPAPLN-JOCHJYFZSA-N 453.608 5.080 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCOC2CCCC2)cc1 747044724 WTGCWNSESIVNQQ-HSZRJFAPSA-N 499.608 5.144 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N([C@@H](C)CCc2ccco2)C1=O 837299123 BYBYUQGGUIGNKT-CYFREDJKSA-N 491.613 5.578 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3ccccn3)C2=O)c1 837806642 USJHUZJQINVRHF-KSFYIVLOSA-N 495.004 5.465 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 838090357 CWLVCHGZEKLVMK-SBUREZEXSA-N 492.576 5.341 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@H](C)c2ccccn2)c1 838285742 OPTQSCWDZXCOMO-KOSHJBKYSA-N 488.613 5.374 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(CC(F)(F)F)C2=O)c1 838591799 JOSZSEJINJXWJG-QGZVFWFLSA-N 471.451 5.104 30 20 JKED Cc1cc(C)n2ncc(-c3noc(-c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)n3)c2n1 904379333 GGULVDDINVWNIW-UHFFFAOYSA-N 459.325 5.353 30 20 JKED CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915087583 VTWBTARPDOXTIP-BKPRMZGOSA-N 469.629 5.638 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccn2)C1=O 916210268 ZACMROSKAYYELZ-NRFANRHFSA-N 499.423 5.857 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 916217180 HDEKGUADWDQORA-KRWDZBQOSA-N 453.461 5.215 30 20 JKED Cc1cc(C)cc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)c1 916231491 DNCWJPNJMWTZSH-MRXNPFEDSA-N 455.889 5.224 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3[C@H]3COc4ccccc4O3)s2)cc1 916320607 CUVHXARXNJQHNZ-MRXNPFEDSA-N 484.994 5.123 30 20 JKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916722489 NKNCCDQQLBDVAQ-LYYOGKFUSA-N 477.030 5.158 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 916898903 GAXHXECOMCXHON-QHCPKHFHSA-N 490.987 6.014 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 916947681 PLYUIKDOBVIXIP-FZKQIMNGSA-N 452.605 5.261 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975779 FKMBWFAIFHUWSL-ABAIWWIYSA-N 479.758 6.009 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1 917042184 DGIMXOCZIIIPLQ-GOSISDBHSA-N 452.457 6.308 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 917613240 NPFIPHPDRKYNTD-UHFFFAOYSA-O 487.605 6.289 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)Nc1cccc(C(C)C)c1 917615824 QIAZCVVFALQLJU-UHFFFAOYSA-O 462.639 5.978 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccccc2C)n1 917664248 UZWKYYIBGYBYTG-QFIPXVFZSA-N 494.020 5.216 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(C3CCN(CC4CC4)CC3)C2=O)c1 917675680 VUESGTPARJKSAJ-VWLOTQADSA-N 490.673 5.138 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Sc3ccc(Br)cc3)n2)cc1 920139348 RXZLUKPHMUHSLD-FZKQIMNGSA-N 473.417 5.938 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 920169240 RLSOQBYNXQCEIA-CLJLJLNGSA-N 494.620 5.192 30 20 JKED CCOc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1 920357283 WXENDETWLSBEKQ-QHCPKHFHSA-N 477.561 5.385 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)cc1C 920850452 FHOJCRHZAWCRTG-UHFFFAOYSA-N 459.550 5.537 30 20 JKED COc1ccc(OCc2ccccn2)c(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)c1 921257393 YYYNJLQHOPMOBW-UHFFFAOYSA-N 486.384 5.405 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785792989 OBXLKQLPGLNGFD-SWOYFSSUSA-N 494.979 5.098 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)cc1Cl 1785885010 QLHQNOKNZOPLCN-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Br)c(F)c3)CCC2)cc1 1786679167 KJDXTSYEZOTNIH-UHFFFAOYSA-N 491.426 5.184 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)CSc3ccncc3)cc2)CCC1 1786768789 MUCFBJBKYGZCQV-UHFFFAOYSA-N 479.722 5.359 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)CCC1)c1ccc(O)cc1 1786927327 RTIDZGVUXNXJKM-NRESZANFSA-N 479.580 5.132 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787889789 PQGTYFNYYDTFDP-QHCPKHFHSA-N 496.652 5.288 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)/C=C/C(=O)c5cccs5)cc4)CCC3)c2c1 1788650851 XTMMRUNMRNZMOR-VAWYXSNFSA-N 499.592 5.425 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cnc(C)s3)cc2)CCC1)c1ccc(O)cc1 1788867078 MDVMVZAOHDYAIX-HXUWFJFHSA-N 473.598 5.102 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)CCc5ccc(C#N)cc5)CCC4)cc3)[nH]c2c1 1788973039 OJDVYOCGIOOKFL-UHFFFAOYSA-N 492.579 5.429 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nnc(-c4ccccc4)o3)CCC2)cc1 1789454306 VGONYZVVKCNPPH-JOCHJYFZSA-N 456.546 5.253 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)cc3)CCC2)cc1 1789534003 YSAJNDBUXVPPAC-DSNGMDLFSA-N 465.578 5.194 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789880003 CVNUGYVPIMXBGR-SFHVURJKSA-N 476.602 5.359 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789993639 LYOSYRLOBABOGG-GOSISDBHSA-N 499.571 5.372 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)cc2)CCC1 1790033654 IOGKOJRTCCOAKH-UHFFFAOYSA-N 462.553 5.658 30 20 JKED CC(C)(C)OC(=O)NCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790285493 AAZJNKOLMHZNMK-UHFFFAOYSA-N 490.604 5.001 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C)CCC2)cc1 1790519434 BLBDTZFTRBEWMU-QFIPXVFZSA-N 481.593 5.195 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5cccnc5)cc4)cc3)CCC2)c1 1790591192 RZUQAFGDMJKSRP-UHFFFAOYSA-N 461.525 5.010 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3c(F)cc(Cl)cc3Cl)cc2)CCC1 1790720777 DCRRCPSNDZGMHR-UHFFFAOYSA-N 491.394 5.162 30 20 JKED Cn1c(CC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)cc2ccccc21 1790762189 XGVQVFIQKTUKQQ-UHFFFAOYSA-N 480.543 5.179 30 20 JKED COc1cc(OC)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c1 1790767719 HOKTUUKHAUJUAG-UHFFFAOYSA-N 489.959 5.290 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)cc2)CCC1 1790844176 OKEPNDVKUGONRY-UHFFFAOYSA-N 488.535 5.020 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C(F)(F)F)c4)cc3)CCC2)CCC1 1791192936 YPDCQHYKTJXSHW-UHFFFAOYSA-N 473.470 5.215 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(F)c(F)ccc4c3)CCC2)cc1 1791300467 RUYLUQAHZUSLCJ-UHFFFAOYSA-N 471.454 5.472 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCC(=O)c3cc(OC)ccc3OC)cc2)CCC1 1791563937 MLYVINAPSMIKQV-IBGZPJMESA-N 478.589 5.013 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1791583141 QQCVCFWSRAKKEM-RMDSEJHCSA-N 455.602 5.302 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(Br)cc4n3)CCC2)cc1 1791728976 KCNUVLFHWHCLII-UHFFFAOYSA-N 493.405 5.038 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC45CCCN4CCC5)CCC3)cc2)c1 1792124728 FKGKGRRYUZEGHC-OAQYLSRUSA-N 470.617 5.080 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C2 1792574143 SCKKKDXUEHMRLD-DTUBNOLGSA-N 489.701 5.091 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ncccc12 1799156010 KORJMXDKLODMSF-KIHHCIJBSA-N 480.612 5.317 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)cc1 1800281040 YWKPFEUSVPJPBS-PUHABZHSSA-N 499.561 5.516 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnc3ccc(Cl)cc3c2)c1 1800937392 LUPLEJZBXMICDE-AGCMCZDNSA-N 472.976 5.081 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2)C(F)(F)F 1801700566 PRFLOPUGGRNXDY-SQUOGFPLSA-N 468.947 5.371 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)[C@H]2c2cccnc2)C1 1802417719 KXBDEVUMWDJUIW-IERDGZPVSA-N 477.914 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cncc2Cl)[C@@H]1c1cccnc1 1802491510 GNPSOYLGENZXFW-LAUBAEHRSA-N 475.420 5.095 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C3)c1 1803681490 RKTZEJLUCYOUPA-PPRPKMEESA-N 456.373 5.186 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(C#N)cc4)C3)CC2)c1Cl 1804946019 PSSLAWRIZLMGCW-UHFFFAOYSA-N 484.427 5.261 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1806056474 HNSGMBMMYCJPPR-VXKWHMMOSA-N 465.103 5.265 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)s2)[C@H]1c1cccnc1 1808795625 HQADSUALJZHMKB-YZUZCNPQSA-N 465.663 5.529 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1c1cccnc1)c1ccccc1 1810448058 RGKRQUKIPZHROH-NAFCUQSLSA-N 471.645 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810499568 ZKNPEQXSLCPMDW-ZCYQVOJMSA-N 467.730 5.131 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)[C@H]2c2cccnc2)c1 1811801967 PMPBTOWRKPUQTF-JPYJTQIMSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811861892 HERZFDVFLBAACU-YMPZKCBVSA-N 471.523 5.188 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1812499187 PRPKRYIEPCFTOF-QPPBQGQZSA-N 480.052 5.465 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1812521690 BQXQBAFYKAAQJI-XUZZJYLKSA-N 493.051 5.193 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1812592652 SCEPLWLPHPPCMN-NKQQYQHASA-N 469.629 5.394 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812673328 RPDNPXMKSZRKIW-AUUYWEPGSA-N 486.321 5.059 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c(Cl)c1 1813833358 MOBSRFWWEBQKFW-CZZAQMAHSA-N 487.003 5.304 30 20 JKED Cc1scc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c1C 1813865562 TTXPQKAQFCCOJD-YRSQORNKSA-N 472.614 5.020 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)cc1 1814379319 PNAFXIFCMJTQER-NRFANRHFSA-N 479.943 5.013 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)[nH]n1 1814441227 AWXRRFMBENXLDP-GOSISDBHSA-N 463.504 5.122 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CC3)n[nH]2)c1 1814471093 OSPBPZXVDSRYGP-CYFREDJKSA-N 467.573 5.074 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1814568960 AETUJAWVVZQHAF-LJQANCHMSA-N 470.533 5.007 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1 1816827706 SSRBSPHYVDUKFL-VWLOTQADSA-N 481.531 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2C1 1817356628 SNDQHJSDHBGFKH-GOSISDBHSA-N 478.618 5.325 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817755242 HKWLPNWHFNGRFY-MGPUTAFESA-N 467.957 5.236 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ncccc3-c3ccccc3)n[nH]2)c1 1818311068 KLNKTBHENPGAIY-XMMPIXPASA-N 494.530 5.102 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)nc(CC)c2)n[nH]1)c1ccccc1 1818366727 NTUGFVIQJCTAQK-RSXGOPAZSA-N 483.616 5.179 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1)c1ccc(O)cc1 1818632979 RLADEPGGLQUFKV-GBXCKJPGSA-N 496.567 5.365 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCCC[C@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818939604 IFQKGURTOFFBAC-AWEZNQCLSA-N 492.395 5.216 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971730 NEGJQFHPLZWVOO-HSZRJFAPSA-N 477.996 5.419 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCCC)cc2)[nH]n1 1819307203 CMMPLNIPADBFIG-GGAORHGYSA-N 450.583 5.273 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1819307996 SBPBHHXQPIMORC-TZIWHRDSSA-N 475.618 5.608 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)[nH]n1 1819309294 RFXQDPFFWQNSBR-DNVCBOLYSA-N 490.526 5.300 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccccc3F)CC2)[nH]n1 1819310980 GVYAQPSQIGTETB-XMSQKQJNSA-N 450.558 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCCOc1ccc(C(C)=O)cc1)CC2 1820094841 WXPFBMCZFHJYPQ-HXUWFJFHSA-N 497.661 5.109 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821384217 FKKQYLGLOUUGCS-WZONZLPQSA-N 477.996 5.686 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821569591 OPVOGXWRVQFCGR-JOCHJYFZSA-N 463.969 5.111 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1821988602 YXKZPFPTMYFVEZ-HXUWFJFHSA-N 478.499 5.826 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)cc(C(C)C)c2)[nH]n1 1822401411 PBMWUVORVCTTQC-IBGZPJMESA-N 459.388 5.178 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1822581964 VRANTFABXPMKJH-HXUWFJFHSA-N 452.942 5.309 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c1 1824052106 DNOUOUDNFWMCSM-JOCHJYFZSA-N 487.522 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(=O)c2ccc(Cl)cc2)CC1 1824162754 LPWFWRMTIMHCRT-QFIPXVFZSA-N 459.030 5.135 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSC3CCCC3)CC2)c1Cl 1824479029 SGVNGXXDPVFNMG-JOCHJYFZSA-N 474.070 5.121 30 20 JKED CC(C)(C)OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1824897868 QDRKLHPKVMDWIT-MUUNZHRXSA-N 486.656 5.135 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c[nH]2)cc1 1825425142 RLCGXQHVXVAFPU-LJAQVGFWSA-N 494.639 5.603 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c1 1825856527 FFGRYLXHWHHEBP-DYESRHJHSA-N 470.038 5.576 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CC1 1827328481 JHKVKINTZDDPRE-JLMWRMLUSA-N 490.570 5.032 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cn1 1827679658 NJCWKXJBBUDBGH-RSNBEDGSSA-N 493.673 5.113 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1827807299 QGZYSCLBDACGOS-DEOSSOPVSA-N 479.646 5.263 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c2s1 1828097743 XWGUCWJFUHMCOU-XMMPIXPASA-N 472.614 5.024 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828168613 ZZSSCCLGAYRPQZ-MHZLTWQESA-N 491.676 5.122 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1828350732 MQIOYNLHGSVFPJ-DBQZHCBRSA-N 481.596 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1828827295 KRBVWDPAFBMIJD-SMIHKQSGSA-N 489.701 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 1828827786 VFDJYXDJDATQIB-NLDZOOGBSA-N 491.720 5.429 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)cc2Cl)CC1 1828829950 OHBIWQPMGMMMMX-QPPBQGQZSA-N 459.030 5.350 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COC2CCCCC2)CC1 1828903873 OAPOUVYBMHPJJP-RUZDIDTESA-N 474.762 5.007 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2CC)CC1)c1ccccc1 1829032983 TXZQTZOVZPOSRO-NOZRDPDXSA-N 477.674 5.136 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829570491 LIDWAFGCVFBIOR-QFIPXVFZSA-N 496.558 5.268 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829938159 YEZXFVHHSVGLDB-QHCPKHFHSA-N 469.507 5.124 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4sccc4c3O)CC2)c1 1829956588 LLLZUXMSOHSBKH-HSZRJFAPSA-N 473.598 5.026 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1830015107 IIEKBPMLZRUEKI-JOCHJYFZSA-N 470.400 5.412 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 1830126918 YDFBQHABCHWODB-NHKHRBQYSA-N 491.720 5.429 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1830417080 XNTQOCVOLKTWKX-DYESRHJHSA-N 473.614 5.075 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1)C(F)(F)F 1831450275 LIQKTBCBKQUXJR-ABHNRTSZSA-N 468.482 5.093 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1)c1ccc(O)cc1 1831925137 VORJQWVPHASMEB-SQHAQQRYSA-N 476.617 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1832630160 GKZALHUPDLIDJO-JIPXPUAJSA-N 499.655 5.574 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1832634148 OHNYRMLDSPUDLO-WXVAWEFUSA-N 487.644 5.486 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)CC1)c1ccccc1 1838417393 BDLATVVLJKBOAT-AGJHTDJMSA-N 478.677 5.009 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 1844253567 VRIFPQWQQQEWPM-UHFFFAOYSA-N 474.677 5.347 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(N(C)C)cc2)c(C)s1 10172893 XFTUEEBDWQQQTH-UHFFFAOYSA-O 476.594 5.371 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(CO)c1)c1ccc(-c2ccccc2)cc1 10755062 PVLPXXXIJVKZIP-UHFFFAOYSA-O 491.995 5.977 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2cccc(Br)c2)cc1 11084684 BCFXYDNWJGNHCS-UHFFFAOYSA-O 498.422 5.121 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(SC(F)F)cc2)c1 11113539 XDRMVUNCLTXIAV-UHFFFAOYSA-O 465.517 5.926 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11114382 PVCRDLIZCTWVKJ-UHFFFAOYSA-O 491.674 6.971 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(OCc4ccccc4)cc3)NC2=O)cc1 15231841 UIKFEGJOBFDASE-DEOSSOPVSA-N 489.597 5.302 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 16408900 XUULFAWDTWWZPJ-JLHYYAGUSA-N 460.486 5.216 30 20 JKED Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 17828279 OQKVPRAMHTWJBH-UHFFFAOYSA-N 451.573 5.116 30 20 JKED CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1-c1ccccc1C#N 18120350 MBHPUPYPWQEUHF-UHFFFAOYSA-N 489.597 5.051 30 20 JKED Cc1cc(Br)c(NC(=O)COc2ccc(C#N)cc2Cl)c(Br)c1 18963399 JMWFHUGVUDTXAB-UHFFFAOYSA-N 458.537 5.063 30 20 JKED Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1 23776886 UHKAOWUTPHDLKX-YBFXNURJSA-N 453.907 6.017 30 20 JKED C=CCN(C(=O)COC(=O)Cc1csc(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 27363443 ZAJMWARZDKUZOV-UHFFFAOYSA-N 482.414 5.187 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 32786962 JFNZRHVXUCQMNG-SFHVURJKSA-N 462.619 5.403 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 46861538 VQBRPDOECGWSAI-URXFXBBRSA-N 463.940 5.528 30 20 JKED Cc1ccc(-c2noc([C@@H](C)Sc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)n2)cc1F 71858208 HJAZADVYMXXBEZ-CQSZACIVSA-N 474.521 5.139 30 20 JKED CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc(OCc2ccccc2C#N)c1 108846039 IDFNXXSECUNBLA-UHFFFAOYSA-N 486.959 5.080 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 195742312 FSFCHLIBNCQJJH-UHFFFAOYSA-N 462.427 5.581 30 20 JKED CCOc1ccc([C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccccc2)cc1 409518475 DGBNYFQIJQQHLR-MHZLTWQESA-N 482.584 5.107 30 20 JKED COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 480592576 ASWLBMJBYZZPRQ-UHFFFAOYSA-N 456.567 5.056 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 482702966 DRAONNWANQVGFN-UHFFFAOYSA-N 469.610 5.063 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)n2)cc1 502762168 YWXMDEZHGMYSTG-SFHVURJKSA-N 452.461 5.813 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 505691967 NCDNDTOOJUSRFZ-CLOONOSVSA-N 483.568 5.297 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)Cc2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 509308914 AGSDMRDCFNBQON-AWEZNQCLSA-N 479.408 5.417 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 510984498 KDHLXAFFPWXVGC-MHZLTWQESA-N 451.570 5.680 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)COc1cccc(NC(=O)c2ccco2)c1 511980803 AAPGSPYESSBLBZ-UHFFFAOYSA-N 483.499 5.463 30 20 JKED CCN1CCN(c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 513947196 UWBWMNYRQCUZQI-UHFFFAOYSA-N 471.580 5.074 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1OCc1cscn1 515282123 IFILAFKFLANMNO-UHFFFAOYSA-N 472.526 5.350 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc2cc(Cl)ccc2s1 515539349 LSAHUUNDVDQIAQ-LJQANCHMSA-N 471.925 5.236 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)nnc1-c1cccnc1 515562844 SQPSRTGWVMDZLQ-QFIPXVFZSA-N 461.635 5.279 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 515768384 HEUCOQPSRKRNJO-UHFFFAOYSA-N 473.451 5.779 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2OCc2ccccc2Br)n1 516793117 HWVRBLJKYLLIJS-MRXNPFEDSA-N 485.359 5.151 30 20 JKED CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(OCCCC#N)c3)ccc2C)cc1 517457884 KRSOJKKMOWAOLC-UHFFFAOYSA-N 493.585 5.129 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1cccc(C(F)(F)F)c1 517800960 SHECRYPWJQRNTG-IBGZPJMESA-N 477.471 5.685 30 20 JKED C[C@H](c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1)N1CCOCC1 517904988 XCAGMAKUOBNNTN-OAQYLSRUSA-N 472.564 5.325 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cn1 518169994 WIYDRUINCLNCPI-KRWDZBQOSA-N 478.574 5.465 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 518739338 ZTPAJIDNJWQKQP-HNNXBMFYSA-N 492.523 5.863 30 20 JKED C[C@@H](Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 519488800 RFMZUZVUQUPRAV-QGZVFWFLSA-N 458.949 5.130 30 20 JKED N#Cc1cc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)ccc1OCC(F)(F)F 520134814 LSVCKJKWERIIFR-UHFFFAOYSA-N 484.459 5.580 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1ccc(I)cc1 521329008 LSLBZUNSQOTEKW-CQSZACIVSA-N 478.355 5.287 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)cc1 523963543 QKRSJJWEXVWGBP-RPWUZVMVSA-N 469.541 5.140 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 524114391 VZZWJMSBTNKHBA-UHFFFAOYSA-N 464.403 5.632 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2n[nH]c(C3CC3)c2Br)cc1Cl 560621743 DLLJNEFFGXXCLZ-MRXNPFEDSA-N 455.743 5.611 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)cc1 590268670 BLCMVVZXZVOISO-UHFFFAOYSA-N 470.569 5.664 30 20 JKED Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(Br)c1 603755966 AONYZLASDLMYOW-MRXNPFEDSA-N 466.335 5.531 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(-n2cncn2)cc1 604089813 LQKNDTBMDWOGST-MRXNPFEDSA-N 458.909 5.467 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)cc(OC)c1OC 609008867 VDEUHPICYDTPAE-IBGZPJMESA-N 462.571 5.269 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)cc2)c1 609065133 YVLAQXZJIDWXDD-UHFFFAOYSA-N 459.958 6.095 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 609067249 ZXSKJPQQVJUYFH-UHFFFAOYSA-N 486.272 5.427 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 609079358 YYVPKOQTFXEXQP-NRFANRHFSA-N 499.489 5.026 30 20 JKED CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4SC[C@@H](C)C#N)cc3C2=O)cc1 609382363 CNCQFJDHAFJSHY-KRWDZBQOSA-N 485.565 5.390 30 20 JKED Cc1ccc(-c2noc([C@@H](C)Nc3cc(C(F)(F)F)ccc3SCCC#N)n2)cc1F 609387038 HHXIFQYQNYRWBB-CYBMUJFWSA-N 450.461 6.382 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 609435268 BQYHBPZGFQKHDS-QGZVFWFLSA-N 457.669 5.185 30 20 JKED COc1ccc(CN(C)C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OC(F)F 612805639 KWWHDHVJVRSVLN-RYUDHWBXSA-N 478.380 5.348 30 20 JKED C=CCn1c(C)cc(C(=O)Cc2nc(O)c3c(-c4ccc(OC)c(OC)c4)csc3n2)c1C 614106319 VSVGUCGPYSVWBE-UHFFFAOYSA-N 463.559 5.111 30 20 JKED O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623851198 AZZJDKSPSUOPDF-ZIAGYGMSSA-N 479.396 5.722 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cnn(CC)c1 726116895 NHQBCPIAMJLONI-QGZVFWFLSA-N 482.437 5.360 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Br)cc2)n1C 726320115 SOJHGCQLPWHLTQ-HXUWFJFHSA-N 478.390 5.541 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N\[C@@H](C)c2cccs2)c(C)s1 726416569 QOZLMSKCUHIVGM-LICVNSMRSA-N 461.678 5.217 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1Cc1cccs1)c1cccs1 726416835 TYJVVXZLKVWYQD-TZTREGAWSA-N 498.699 5.466 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CC1CCC1)c1cccs1 726419909 GVMVLRYFNAWPKU-DNWDKJSTSA-N 463.575 5.216 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N/[C@H](C)c1cccs1 726419952 JZWAAEAELKJCNK-OTIFIFNVSA-N 499.630 5.099 30 20 JKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccccc4SCC#N)cc3s2)s1 726537436 MKXNZONBORBHPI-UHFFFAOYSA-N 464.597 5.787 30 20 JKED COc1ccccc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1ccc2c(c1)CCCC2 726570884 MXXPFNWZDPBOEX-UHFFFAOYSA-O 477.009 5.710 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cc1 726856679 MPIORHDZNZWMBH-HHHXNRCGSA-N 479.967 5.917 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C/c2ccc(Br)cc2)cc1 727356967 NGUOLNVEIIFDPX-JQIJEIRASA-N 483.387 5.507 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@@H]2c2ccccc2OC)c1=S 727830067 YZTUNEFVKZDDJC-HXUWFJFHSA-N 454.571 5.121 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC(c3ccccc3)C2)C1=O 728422720 LBXXQFAULAVIPZ-KJXMEXGPSA-N 462.402 5.007 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 728424351 ZLSFEXYBYMOWBL-NTKDMRAZSA-N 483.597 5.292 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nnc(-c4cccs4)n3C3CC3)n2)cc1 728766808 LSVULLIOUOBHON-QGZVFWFLSA-N 477.640 5.742 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(CCCCC#N)C2=O)cc1Cl 728777691 MQHMEOSJHHZZNG-OAQYLSRUSA-N 485.009 5.311 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2CCCCC#N)cc1 728777786 OOMSBPHEARCNGH-FQEVSTJZSA-N 499.434 5.412 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(CCCCC#N)C2=O)c1 728778916 GIAXHQYQLWNPEF-HSZRJFAPSA-N 478.618 5.473 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)c(F)c2)cc1 729177207 VGRBDQUFCZTBST-GOSISDBHSA-N 456.258 5.338 30 20 JKED CN(C[C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1)C(=O)OC(C)(C)C 729557561 UAPDPAFWUHXUAG-GCJKJVERSA-N 483.012 5.716 30 20 JKED Cc1ccccc1CN(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 729559220 LSHHGNGRNRZEAK-PBBVDAKRSA-N 490.629 5.042 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C#N)cc2F)c1 729818703 DPONJFHGGFVOTA-XMMPIXPASA-N 497.555 5.038 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CCc3c(C)noc3C)C2=O)cc1 730441827 MKKNUTLRHYCJOU-HSZRJFAPSA-N 490.629 5.420 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O 730461139 LFQLOMGQQDJXBN-HXUWFJFHSA-N 475.973 5.309 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cocn3)C2=O)cc1 730713983 VETSTABVCRVKSM-QHCPKHFHSA-N 492.601 5.241 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cocn2)cc1 730716286 RJBFGGNXMXKIPV-HSZRJFAPSA-N 487.585 5.049 30 20 JKED COCCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2cc(Cl)ccc21 730952924 ZXZGLCNHWGSAFV-OAHLLOKOSA-N 475.039 5.461 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)C2CCCCC2)c1 731070679 WVJCFZLMBYRMKZ-SFHVURJKSA-N 479.602 5.395 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCC2CCCC2)cc1Cl 731315383 DUVRJURYAZIGOZ-QFIPXVFZSA-N 497.020 5.458 30 20 JKED COc1cc2nc(/C(Cl)=C/c3cccc(OCc4ccccc4C#N)c3)nc(O)c2cc1OC 731318277 HIEWGDJOAAJJML-NHDPSOOVSA-N 473.916 5.540 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c(F)c1 746278490 LRHUUBVUGNMDSD-UHFFFAOYSA-N 473.573 5.155 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cccc(-c3ccccc3)c2)cs1)c1ccc(F)cc1F 746345275 CGJFPUBKSYFTHJ-ACCUITESSA-N 460.505 6.669 30 20 JKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 746666580 HYDPRAHBSLABKL-UHFFFAOYSA-N 467.491 6.404 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3cnn(CC)c3c2)c1 747126502 JWQYZBMDFARMHH-UHFFFAOYSA-N 495.004 5.343 30 20 JKED N#Cc1ccccc1N1CCC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 747336173 BABQJZIUGAOIGP-UHFFFAOYSA-N 469.372 5.238 30 20 JKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 751165195 FCRTZHILGRRRCN-QUCCMNQESA-N 465.619 5.475 30 20 JKED COc1cc(C(=O)N(CCC#N)CC(C)C)ccc1OCc1ccc(Br)s1 751381407 UWUUFECUKQCWHB-UHFFFAOYSA-N 451.386 5.110 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(SC(F)F)cc1 799210843 YLNGKAUIRDXSPG-IBGZPJMESA-N 473.570 5.212 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CC(F)(F)F)C2=O)cc1 799222266 ZPGAWVJYKVRUKL-QGZVFWFLSA-N 483.899 5.065 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799224540 WBJCKXZAWOGTGH-HNNXBMFYSA-N 494.297 5.655 30 20 JKED Cc1sc2nc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)n(C(C)C)c(=O)c2c1C 808423432 CDESODYOZOGWAZ-QGZVFWFLSA-N 494.667 5.748 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)c4cnn(C)c4C)c3C#N)C(C)(C)C2)o1 826652850 MDZALAMVMWQAIN-CLFYSBASSA-N 490.585 5.137 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccs3)C2=O)c(OC)c1 837864420 ORYGMYQTNUBUNY-JOCHJYFZSA-N 495.626 5.234 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(N2CCC(c3ccccc3)=N2)cc1 839414616 OVVDWOJOIKTUHN-UHFFFAOYSA-N 498.612 5.041 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 914464365 IVBUMFFJFPXTSS-HNNXBMFYSA-N 491.654 5.191 30 20 JKED C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 915086515 LJASMKVWOYKSJQ-FNZWTVRRSA-N 473.598 5.157 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)[C@H]1c1ccccc1OC 915097847 BXZBRGAKYICIGW-AXHZCLLHSA-N 461.587 5.261 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1 915102512 VOQKTTKPAMYDGI-FQEVSTJZSA-N 479.989 5.201 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1nc(-c2ccccc2)cs1 915102574 YHIQEZDULDZPKH-KRWDZBQOSA-N 490.938 5.970 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916207291 YQPAWHSKXNJKBN-ACJLOTCBSA-N 496.391 5.272 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)c1 916207592 ZGZZZEYRYSUMGZ-HXUWFJFHSA-N 469.950 5.102 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c1 916208108 UDTXTDHAHAVAEK-IBGZPJMESA-N 472.408 5.189 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccccc3)C2=O)c1 916208561 LEFJWJSLIAUDDT-QHCPKHFHSA-N 493.560 5.003 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1 916217940 YRZBJWJOGFYRCP-NFBKMPQASA-N 477.561 5.118 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C)s2)c1 916396072 JEOVZYRTSWTLIV-UHFFFAOYSA-N 491.034 5.030 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)Nc3cccc(OCC#N)c3)cc12 916411022 MIFSTKFTVHCMCQ-UHFFFAOYSA-N 471.369 5.916 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1 916912569 BLIXJKIJTKCOON-HXUWFJFHSA-N 482.009 5.011 30 20 JKED N#C[C@H](C(=O)CCSc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 916976886 VZBPQJQYHQXGMR-OAHLLOKOSA-N 456.017 6.432 30 20 JKED N#C[C@H](C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1nc2ccccc2n1C(F)F 917039773 DAHGITKKJAZCOO-AUSIDOKSSA-N 455.468 5.615 30 20 JKED Cc1ccccc1-n1ccnc1SCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043545 MVCHWHOXISCAEW-HNNXBMFYSA-N 472.517 5.778 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1Cl 917674954 BRWQRBNRABBFFS-GIWBLDEGSA-N 497.064 5.236 30 20 JKED N#Cc1ccc(N2CCN(C(=O)Nc3cccc(-c4ccc(Cl)c(Cl)c4)c3)CC2)nc1 918546440 KKQLQYGQHQFHAO-UHFFFAOYSA-N 452.345 5.281 30 20 JKED CN(c1ccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F)C1CCCCC1 919662414 JGWNITAKJQIRHM-KBPBESRZSA-N 497.455 5.122 30 20 JKED CC(=O)Nc1cc(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)ccc1F 919701368 ZNBSMJYUBWLXQP-QHCPKHFHSA-N 492.532 5.619 30 20 JKED C=CCOc1ccc(/C=C/C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1OC 919865032 PZUOGWAKIWHKAL-CSKARUKUSA-N 475.507 5.157 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2N(C)C(=O)c2cccs2)cc1 919868540 UBFFZLOEUCLQPY-UHFFFAOYSA-N 459.571 5.091 30 20 JKED COc1cc(/C=C2/COc3c(F)cc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 920066891 YXYKTWMJMOEUAA-NVNXTCNLSA-N 485.870 5.303 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)cc1 920170611 MXEGFBTZSULWKL-QFIPXVFZSA-N 491.569 5.009 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2C)C(=O)N1Cc1cccs1 920172811 KSHVRZBICIRCAA-OAQYLSRUSA-N 493.610 5.224 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 920461907 DXQBKUCELCTPAX-JTSKRJEESA-N 485.540 5.001 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1csc(-c2ccc(Cl)s2)n1 920675806 DBJMBQYXQZUSIZ-LBPRGKRZSA-N 453.010 5.347 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1 920676885 SYBJOGIROLEKJR-UHFFFAOYSA-N 474.007 5.174 30 20 JKED N#C[C@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 920875121 PIZKGFKMFVCKKD-LJQANCHMSA-N 467.978 6.069 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(OC(F)F)cc1Cl)C2 1779513498 KVOGLOSCUCEWAW-CJFMBICVSA-N 498.998 5.061 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)CCC2)cc1 1786364924 YEVNPPYDHIBJJW-VWLOTQADSA-N 489.660 5.016 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CNc5ccccc54)cc3)CCC2)c1Cl 1788047292 OWSHQCMTBLUATB-JOCHJYFZSA-N 470.960 5.169 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncoc5c4)cc3)CCC2)c1Cl 1789077726 DPWCILCZOUQXLJ-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)cc3-n3nccn3)CCC2)cc1 1789456607 XQYNPFHUCBAVRT-HSZRJFAPSA-N 469.589 5.092 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4nccnc4c3)CCC2)cc1 1789508026 CLZXHKKZXNREPZ-UHFFFAOYSA-N 484.676 5.429 30 20 JKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1)n1cccc1C=O 1789508895 VOOIRDKBYZILOW-NRFANRHFSA-N 477.681 5.047 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)c(Cl)c1 1789878211 TVMBIEPSNYIKFL-UHFFFAOYSA-N 498.892 5.687 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4csc(-c5ccccc5)n4)CCC3)cc2)c1 1790144919 VNNQWWNIJNBEBN-UHFFFAOYSA-N 467.554 5.071 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3Cl)CCC2)cc1 1790566143 SFFQAKJHTIDPHU-HNNXBMFYSA-N 462.377 5.542 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CCC2)cc1 1790568317 WACCVPUZNBWUPX-FAYOUJPWSA-N 453.627 5.528 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(Br)c3F)cc2)CCC1 1790626927 LHHXAVMBMPDZAD-HNNXBMFYSA-N 490.373 5.137 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)nc4ccc(F)cn34)cc2)CCC1 1790994202 CXWCEXPSQUMFQY-HNNXBMFYSA-N 488.485 5.452 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c(Cl)cccc34)CCC2)cc1 1791300554 XMWUHLCQECPHNG-UHFFFAOYSA-N 458.896 5.175 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1)c1ccc(O)cc1 1791642815 XGIWPYRBXNQONR-NRFANRHFSA-N 492.579 5.213 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(Br)cc34)CCC2)cc1 1791727339 FPEVXLADFDGFFR-UHFFFAOYSA-N 493.405 5.267 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5[nH]4)CCC3)cc2)cc1C#N 1792168450 BMXYIUADNVJYFF-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]4CC[C@H]3N4C(=O)OC(C)(C)C)cc2)CCC1 1792342702 KLVWEEHENXETPB-KMDXXIMOSA-N 493.648 5.102 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(Br)cc1F)C2 1793048839 DPFYUUSFAXTEAB-LGMYYNHISA-N 475.402 5.008 30 20 JKED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCc1ccccc1)C2 1793569909 GYXFGSGGRVPTJI-HDLKCZAISA-N 466.666 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(Br)cc1F 1793944102 HMVZEWWPNCMDOA-ILZXFKDQSA-N 475.402 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)cc2Cl)c1 1800416023 VWXSNDBZBPVYPN-PPRPKMEESA-N 489.925 5.551 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801206583 VUIWQSNZSQJJCF-BCDXTJNWSA-N 455.580 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1802744063 VDGAHDLNNDQBRQ-YZUZCNPQSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1803077097 HTYUYADTGYVNQY-WIOPSUGQSA-N 463.622 5.369 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(Oc5ccc(Cl)cn5)cc4)CC3)C2)C1 1804778161 VJWRSELMAYNNPO-UHFFFAOYSA-N 480.008 5.338 30 20 JKED C[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1)c1ccc(Cl)cc1 1805198676 RAUBACQZLSBYBA-GOSISDBHSA-N 484.427 5.514 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1809552879 SNHCGNAPIKJWCJ-OSQINFKHSA-N 478.036 5.313 30 20 JKED CC(C)(C)CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811252790 XRWJYQUKWOWYIO-PXJZQJOASA-N 479.624 5.237 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c(Cl)c1 1811748903 FLXSCFNOFQIJCT-GJZUVCINSA-N 499.014 5.048 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(Br)c2)[C@@H]1c1cccnc1 1812590512 QCIAMMDZJFEGRI-UQASEVPWSA-N 490.829 5.029 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1813051357 XCBQZQPRBRFSAE-BKMJKUGQSA-N 478.036 5.056 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)[C@@H]1c1cccnc1 1813055910 BBJYVOFYQCQBAH-VAVYLYDRSA-N 476.580 5.193 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1813226206 LIZRDYCXZYSYJN-UZUQRXQVSA-N 476.379 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc3ccccc3n2C)n[nH]1 1814725567 IKZATDZNURBVMK-HSZRJFAPSA-N 461.610 5.129 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)n[nH]2)C1 1817793304 YQKYLPXRNLTELU-XMMPIXPASA-N 480.572 5.225 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985605 VDNCIFJJGDCFDF-VLIAUNLRSA-N 473.499 5.428 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cncc(C(F)(F)F)c1)CC2 1820102670 ZHXODGOVQJBXLD-KRWDZBQOSA-N 494.583 5.094 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)CCC1 1820223748 RNWNZJLSTBGSKR-LJQANCHMSA-N 453.974 5.067 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1820971893 AVOQEXMEPAWSTC-KOSHJBKYSA-N 491.567 5.323 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c(F)c1 1821025151 IIWBFKBRJQGTLA-HXUWFJFHSA-N 465.916 5.002 30 20 JKED Cc1cc(F)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1821062598 ONBVKQVUJCIHCA-HXUWFJFHSA-N 465.916 5.002 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)[nH]n2)cc1 1821182352 PALNAQJFIGXGBP-RUZDIDTESA-N 490.567 5.157 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821611382 RCZVHYJDXRVSDU-IBGZPJMESA-N 479.562 5.032 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1cccc2c1oc1ccccc12 1821612112 XFXCAEAAHRKHPP-DRQPSCMVSA-N 495.539 5.327 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(Br)cc2F)n[nH]1 1821870198 PAKYSSMUORVSGS-QRWLVFNGSA-N 491.405 5.148 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(N(C)C)cc3)n[nH]2)c1 1822615398 NXVOFBGIAHCIDR-FQRUVTKNSA-N 498.631 5.041 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)[nH]n2)c1 1823210533 GZLMXEMNJLLWBS-OZOXKJRCSA-N 469.536 5.168 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c1 1823218690 UMYGDALGXCTKAA-YBFNVKKMSA-N 459.594 5.479 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)C1 1823703384 XDAOKEDVXWPSOA-BWAMLYQTSA-N 471.439 5.048 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1823811290 HETQUKMMXCNAHP-AREMUKBSSA-N 463.666 5.327 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1824002675 BRGLMEAVLSPILX-NRFANRHFSA-N 497.850 5.059 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)ccc2n1 1824052431 MGPIOJHHQBTKEU-GDLZYMKVSA-N 494.639 5.281 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1824502097 VQONHDJJAREPML-WZLQQZPBSA-N 470.679 5.203 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2CCCCO2)CC1 1824912154 BESLLTJCAPZQDN-KYJUHHDHSA-N 498.667 5.279 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c3ccccc3n3ccsc13)CC2 1825253538 UNLSZGLWZFTJKY-ZDUSSCGKSA-N 486.569 5.048 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1825952989 VSHAHTQXKLRFJJ-FQRUVTKNSA-N 489.660 6.060 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826680017 OIAODWLDDXAIPM-KRWDZBQOSA-N 468.413 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)CC1 1827264944 AGKABJHHAPRJFU-DHIUTWEWSA-N 478.662 5.207 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828353057 FVPMNRQSKAKFCA-XNWPQPEVSA-N 466.581 5.117 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c1Cl 1828672607 BMIPAWJCAQGZTD-JOCHJYFZSA-N 493.032 5.368 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1828776858 DQSLJBXTDITVMO-XMSQKQJNSA-N 467.660 5.034 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)cn2)CC1)c1ccccc1 1829030480 OXAQFQHUJCRFNG-URLMMPGGSA-N 485.672 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)CCCC3=O)CC1 1829066542 IRBVBWPDLRNPAD-RUZDIDTESA-N 464.650 5.431 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2Cl)CC1)c1ccccc1 1829151035 MZTPGFJVHOENEK-JYFHCDHNSA-N 478.036 5.166 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)c1 1829954891 RYEYJTNKSPERFW-HHHXNRCGSA-N 478.596 5.167 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)c1 1829955874 VLXPTZYESWEAKE-MUUNZHRXSA-N 478.596 5.167 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1 1830061935 IIMWAPRCYCKYNQ-LOSJGSFVSA-N 497.680 5.088 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830408524 LVJUPGQETAXVBS-DEOSSOPVSA-N 474.686 5.092 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1831371417 ZBEIZEMGGDSKNA-DFBJGRDBSA-N 481.587 5.472 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1C#N 1831481654 FUIRUNMYSJWQJN-FXAKWJDQSA-N 491.676 5.405 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1831851397 AOKPFCNOYURCSB-XMMPIXPASA-N 471.601 5.260 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1831851455 DSEHLMZTGXGCKQ-VWLOTQADSA-N 487.669 5.933 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1831853045 ITOJETWTFVQKCB-OAQYLSRUSA-N 453.385 5.169 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)CC2)c(Cl)c1 1832637950 GOAFLMAQDWWWRZ-QFIPXVFZSA-N 489.925 5.176 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cccs3)CC2)cc1C#N 1832701371 FGXFKCBTDWICGT-UKEJNIAMSA-N 491.657 5.354 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)CC1 1837317121 WROWMJAFROLACF-SANMLTNESA-N 493.623 5.201 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)no2)nc2sc(-c3ccccc3)c(C)c2c1=O 11010152 KBGZMROAZQBCMJ-HNNXBMFYSA-N 466.588 5.035 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113516 IFHMWPPDRCGCMS-UHFFFAOYSA-O 474.622 5.857 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc3c(c2)CCCC3)c1 11258357 JXFHIZDXWRLMIQ-UHFFFAOYSA-O 464.054 6.482 30 20 JKED N#CCc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)cc1 20056745 SABATBWGVVPHJW-UHFFFAOYSA-N 466.994 5.352 30 20 JKED Cc1cccc(C)c1OCc1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)n1-c1ccccc1 22138567 NMFZSOSTBJYIOD-OAQYLSRUSA-N 489.645 5.286 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)cc1 22728671 BZFBVHBKGZLPNR-UHFFFAOYSA-O 462.639 5.613 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)nnc1-c1ccc(OC)cc1 23014742 GGKWWPQNXIUHEK-UHFFFAOYSA-N 484.581 5.367 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 23592302 DWICFFHZEXGQMS-KUHUBIRLSA-N 490.507 5.115 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc3c(c2)CCCC3)c1C 28793677 ZZLCZXHDFBHWGW-UHFFFAOYSA-O 490.649 5.334 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 78714240 PWGJRHFICBOFDE-IBGZPJMESA-N 456.571 5.648 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102044624 IEVKIYCHBZONOX-RJXVEBOBSA-N 499.656 5.140 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 213518910 UEPDOLJPQFOLIV-KAMYIIQDSA-N 475.552 5.202 30 20 JKED Cn1cnnc1Sc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1Cl 303125130 AAUKEOLGCXOGNB-UHFFFAOYSA-N 461.934 5.536 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cc2Cl)c1 303164971 IIBIMLJXANEPTG-NRFANRHFSA-N 482.005 6.065 30 20 JKED N#C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(OCc2ccccc2)cc1 303228001 WWMWJENEFMMVKK-DEOSSOPVSA-N 473.985 5.966 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)c2)cc1 409764470 BCCSVIYBGDTTRP-UHFFFAOYSA-N 465.847 5.775 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2F)c1 481601278 XFCSWNVDTHHKBZ-NRFANRHFSA-N 472.520 5.159 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 481739718 JCDBFCYKFROYQF-HSZRJFAPSA-N 475.520 5.663 30 20 JKED COc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OCc1cn2ccccc2n1 483345454 CRDBAEXBHLUPCA-UHFFFAOYSA-N 490.519 5.838 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 499347841 RCKUIFYXXKWSLP-UHFFFAOYSA-N 486.269 5.715 30 20 JKED Cc1csc([C@H](C#N)C(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)n1 502688970 DNPZCVSHYPMJPI-CYBMUJFWSA-N 461.399 6.016 30 20 JKED C=CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502961575 OACXUWVLHFTNEL-UHFFFAOYSA-N 494.356 5.875 30 20 JKED COc1cccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 503670267 JUQDANNNHMAFLN-DEOSSOPVSA-N 468.557 5.030 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](c2ccccc2)N2CCSCC2)cc1 505643744 FSGGLOJTQBKBTH-VWLOTQADSA-N 459.571 5.088 30 20 JKED CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCC(=O)NCc4ccc(C#N)cc4)o3)cc2C1 510009636 AOPSMANLXABNAV-SFHVURJKSA-N 466.632 5.229 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 510229443 PPBDHNBEDRXTRY-UHFFFAOYSA-N 467.569 5.469 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 510273433 VHUCIPQHDDMNKA-UHFFFAOYSA-N 464.525 5.348 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2ncnc3sccc23)CC1 510889573 XVCBBJQZWABSIM-UHFFFAOYSA-N 470.558 5.018 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NCc1ccc(Cl)cc1 512956725 DXHRIXTWNBNOAX-OAHLLOKOSA-N 477.417 5.147 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513213473 GXRMAAYLBXGXCN-HXUWFJFHSA-N 462.431 5.452 30 20 JKED COc1ccc(CSc2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)cc1 514954716 HGPWOIKREWYSHV-LBPRGKRZSA-N 488.685 5.380 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1ccccc1OC(C)C 516306207 JGWSMBXNFDHAPU-LJQANCHMSA-N 457.530 5.262 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccn(Cc2ccccc2)c1=O 517461164 BIUXVHRFHVBOJF-UHFFFAOYSA-N 457.477 5.173 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 517518098 SKQOQBSYDVKCPN-QGZVFWFLSA-N 462.575 5.474 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 517533350 VXTISYOXDLOEOS-ORAYPTAESA-N 496.391 5.065 30 20 JKED Cc1nnc(SCc2c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)oc3ccccc23)s1 517875413 ARHWEAFLXUZWNJ-UHFFFAOYSA-N 490.610 5.440 30 20 JKED CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 519180769 FDMCTSMNAGMQAT-HXUWFJFHSA-N 485.462 5.273 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cc1 519427508 KTGNPEKEZICTMJ-IBGZPJMESA-N 464.612 5.473 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1 519451255 WHMVEEALXQDBOU-WMZOPIPTSA-N 450.633 6.561 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 520011414 XVPXJDIDTGAVPK-UHFFFAOYSA-N 455.436 5.658 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1Cl 520945215 PHNDMTAEUKZCIB-UNMCSNQZSA-N 496.419 5.941 30 20 JKED COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OCc1ccncc1 521787676 ZFUWQRRTBQTCAT-OAQYLSRUSA-N 472.589 5.470 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 524674800 AWLIFLWOZIGGIM-JOCHJYFZSA-N 463.990 5.384 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(Cc4ccsc4)CC3)cc2Cl)c1 535258291 SRXHMYDDZAUBBT-UHFFFAOYSA-N 466.994 5.202 30 20 JKED N#Cc1cccc(CN(Cc2ccco2)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 561379899 CBMMRTPGULERCD-UHFFFAOYSA-N 454.857 5.215 30 20 JKED C[C@H](Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 577013648 IRSLPGAYUVISIJ-KRWDZBQOSA-N 458.949 5.130 30 20 JKED N#C[C@@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 591862700 ZBYOECNOVSYZNR-LBPRGKRZSA-N 465.378 6.372 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603622234 OWXUEFPEPVTBMT-WOJBJXKFSA-N 484.556 5.166 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)cn2)c1 603624258 XXZRGFHEIFFPBM-UHFFFAOYSA-N 467.451 5.014 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccc3ccccc3c2)o1 603726371 DCWNTSIBNKALMU-QGZVFWFLSA-N 458.543 5.326 30 20 JKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 603774276 BYAMZCGDVDVKDQ-UHFFFAOYSA-N 463.562 6.523 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)COc3cccc(NC(=O)c4ccco4)c3)c2)cc1 603921140 ONMJESKQNMYSLR-UHFFFAOYSA-N 481.508 5.194 30 20 JKED N#Cc1c(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)sc2c1CCCC2 603945853 ADBFSISEZQSQIX-NVQXNPDNSA-N 469.610 5.617 30 20 JKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3cc(Cl)sc3Cl)c2)cc1 603981399 XTZKHWFBERBJMJ-UHFFFAOYSA-N 453.372 5.501 30 20 JKED N#Cc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)sc2c1-c1ccccc1CC2 603992341 RRNXSDSNELKNOZ-UHFFFAOYSA-N 461.546 5.492 30 20 JKED N#CCSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 604010556 BGGWAOICWKWORZ-QHCPKHFHSA-N 456.398 5.927 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 604342282 IGIFCNDQGPOGHT-UHFFFAOYSA-N 475.979 5.113 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604507249 DQNOPONSYXLSBZ-IBGZPJMESA-N 482.565 5.536 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)cc2F)c1 609110517 LVBVIMFTKNNSNA-UHFFFAOYSA-N 451.910 6.239 30 20 JKED N#C[C@H](NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1)c1ccc(OCc2ccccc2)cc1 609172867 FEIOSLOGWLMHSO-IBGZPJMESA-N 467.403 5.126 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)cc2F)c1 609227107 YSCFCDQNVUHMDH-RUZDIDTESA-N 491.950 5.526 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cccs2)cc1 609400262 UZPMACCOYRHFQV-HOYKHHGWSA-N 477.655 5.797 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCC(=O)N1CCCC1)c1nc2cc(Cl)ccc2s1 613407147 JTNUIWITFGDPRJ-MRXNPFEDSA-N 455.992 5.154 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)nnc1-c1ccc(F)cc1 613937047 DYJKMLGCWUXFOH-UHFFFAOYSA-N 490.526 5.572 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1OCc1ccc(Br)s1 614439857 PNAJGZPGFVCIJJ-OAHLLOKOSA-N 483.343 5.729 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2cccc(O)c2)C=C1 725763254 IPPCWECZEOPHHJ-UHFFFAOYSA-O 482.585 5.440 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCc3nccs3)C2=O)c1 726423393 ZBSDSVWYXHXFFJ-VHBQYICQSA-N 498.699 5.454 30 20 JKED C=CCOc1ccc(/C=C/C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1OC 726631578 UQHDYKJXEAIUDH-CSKARUKUSA-N 461.301 5.373 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 726756111 YVRUFRMQMGKDIR-UHFFFAOYSA-N 487.563 5.226 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)nc1 726888545 CBNZBSNCALLJDI-SFHVURJKSA-N 494.539 5.260 30 20 JKED CCCCCCC[C@H](C)CNC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 727475413 JSJZUXGZCJCDGA-OALUTQOASA-N 457.615 5.007 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3cccc(C)c3)c2)cc1 727628199 PNZWDOGGZVWTBW-SANMLTNESA-N 454.526 5.057 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccccc3)nc2C)cs1 727781890 ZIHOMDZYVLNTPE-RAXLEYEMSA-N 480.014 6.809 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)cc1C 728776155 KQEWFIGGZVMYLI-OAQYLSRUSA-N 452.555 5.097 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)cc1Cl 728776396 QMAIJXBOAHQKCC-QFIPXVFZSA-N 499.036 5.620 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728776425 BPFZGZQBPXFEAB-NRFANRHFSA-N 469.010 5.611 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)cc1C 729144809 ZDEVSGXPBZHGFJ-FQEVSTJZSA-N 482.606 5.368 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C(\C(=O)c3cccc(OC)c3)c3ncc[nH]3)c2)cc1 729240140 BVXWBKMGMYJLKT-LFVJCYFKSA-N 453.498 5.103 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCC1 730461848 SRXSGKMPFHCLDA-GOSISDBHSA-N 478.401 5.515 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@@H](C)C2 730685814 ITYXCMPNGPSRRA-SIXJUCDHSA-N 486.540 5.174 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943502 DUYOVTOOKUZCQO-FDDCHVKYSA-N 493.032 6.073 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944585 YLOJKAYAUBTGCJ-HJPURHCSSA-N 494.567 5.644 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cccs2)cc1 731125289 CDNWVZALUNTUDI-UQBPGWFLSA-N 491.682 6.043 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 731316053 QSIDNDPFGSRSHO-FIMBPPNMSA-N 499.592 5.250 30 20 JKED C[C@H](Oc1ccc(F)c(F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 744936745 WOTUYJYLXRSZRU-IINYFYTJSA-N 453.297 6.039 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 746416358 LEIIXOFDMUZHMR-QFIPXVFZSA-N 481.508 5.423 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCOC(C)(C)C)C2=O)cc1Cl 746697000 XQEUYPKFONERBP-FQEVSTJZSA-N 490.025 5.124 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)cc1 747602252 YXWPZPYJGLMZSO-FQEVSTJZSA-N 482.606 5.048 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)c1 747603748 UVRBCDAWNOPEOQ-IBGZPJMESA-N 490.532 5.029 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cccs2)C1=O)NC1CC1 750911412 QCKUFQAQADLOSJ-QFIPXVFZSA-N 461.612 5.216 30 20 JKED Cc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5cccc(Br)c54)c23)cc1 767199252 OSDACERXJDWQKH-UHFFFAOYSA-N 464.348 5.198 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CC(F)(F)F)C1=O)Nc1ccccc1 799209913 IQRRAPSTRKDEFL-HNNXBMFYSA-N 489.491 5.524 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)c(Cl)c1 799211544 BGQHFDOZEOPNDQ-IBGZPJMESA-N 460.386 5.204 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837644109 WYHSNIDBQOHXRA-YADARESESA-N 488.613 5.429 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)Cc2ccco2)c1 914690870 ICQPOYIJPJVNPP-NTKDMRAZSA-N 491.613 5.497 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915087569 VKRGJMNNZZKFHT-HHHXNRCGSA-N 470.532 5.602 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 915097834 BGNUHEJEETUJJY-GOEBONIOSA-N 485.594 5.438 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915352377 KTKHQXHGRVHWPS-BJKOFHAPSA-N 455.949 5.640 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2CC(C)C)c1 916205617 HYRJZNDDDILYQB-IBGZPJMESA-N 490.423 5.074 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916211018 KUGNZBONOXIWKC-LJQANCHMSA-N 472.954 5.151 30 20 JKED COc1ccc(OCc2nnc(S)n2N=Cc2sc(Nc3ccc(C)cc3)nc2Cl)cc1 916314085 VLRYPAYXDQAXBW-UHFFFAOYSA-N 487.010 5.199 30 20 JKED CCCOc1c(Br)cc(C=Nn2c(S)nnc2-c2cccs2)cc1OCC 916544847 UONVPGNQFMEIRS-UHFFFAOYSA-N 467.414 5.128 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847085 LCHQBAKGCZXRMK-QGZVFWFLSA-N 497.667 5.400 30 20 JKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916888103 UTEWDCDADTXRQP-FQEVSTJZSA-N 457.580 5.227 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Br)s1 916899237 AENOGQNAIYTDBE-QGZVFWFLSA-N 485.359 5.059 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 916924387 CLPJSDCQIUMUGB-INIZCTEOSA-N 459.354 6.082 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 916932626 ZYOZBYAKUHHVAT-XXBNENTESA-N 477.351 5.648 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916936942 YAZKMJNRCFHFHC-ZDUSSCGKSA-N 476.316 5.407 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1cccc(C(F)(F)F)c1 916946188 MYCDSEWESCQHJM-KRWDZBQOSA-N 481.261 5.468 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1 916948644 IRYDPRHJGOLXQC-BTYIYWSLSA-N 465.351 5.109 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 916949513 ORZSWOSWRVDVBK-ZNCVFPSASA-N 481.552 5.103 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 916953322 BOLXHFJBQCNRAQ-FOIQADDNSA-N 451.473 5.413 30 20 JKED N#C[C@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc2cc(Cl)ccc2s1 917046566 IZDCZZXKHAGSSP-MRXNPFEDSA-N 451.891 5.050 30 20 JKED CC(C)c1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)S2)c1 917636068 PBISCLLEXWJLSO-QHCPKHFHSA-N 459.571 5.850 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CC(F)(F)F)cc1 917665912 NNXWURVXXKWEHY-HXUWFJFHSA-N 492.567 5.399 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccnc(C)n2)cc1 917682530 JTOWIBONKNDCAW-VWLOTQADSA-N 495.608 5.407 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc2Cl)cc1 918052716 KFJDERTVZRVCHW-RUZDIDTESA-N 461.949 5.981 30 20 JKED C[C@H](Cc1ccccc1Cl)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 918268560 FHDAMXYOOTWFPA-IERDGZPVSA-N 466.368 5.335 30 20 JKED CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)CCc3c(C)nn(CCC#N)c3C)ccc21 919251216 VGFLQPJAEMDBHC-FQEVSTJZSA-N 485.588 5.044 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1nc(-c2cc(Br)cs2)no1 919682245 WZUBXCLPFCXIOH-UHFFFAOYSA-N 482.743 5.023 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N([C@@H](C)c2ccc(C)s2)C1=O 920170494 ZXVZTSWBRQNIKS-WMLDXEAASA-N 450.029 5.156 30 20 JKED COc1ccc(C2(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)CCOCC2)cc1 920689357 MTPVYMPGVJPKHY-UHFFFAOYSA-N 455.554 5.187 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)cc1 920782716 FMRVVSQHEDCTQD-HSZRJFAPSA-N 482.422 5.502 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CC2CCC2)C1=O)Nc1ccccc1C(F)(F)F 920927756 XNNMSXXIPNXQKX-IBGZPJMESA-N 461.509 5.466 30 20 JKED C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)c1 921237663 RNAUUDCVAZBVKP-UHFFFAOYSA-N 453.420 5.239 30 20 JKED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)CCO2 1783908022 PWOOECCROLSIFI-SANMLTNESA-N 490.566 5.000 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)CCC2)cc1 1786106142 MJFVSQYCVRIDSR-GBXCKJPGSA-N 495.664 5.534 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1786242264 UEDPNIDMPTXPAD-BVYCBKJFSA-N 469.626 5.026 30 20 JKED Cc1ncccc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1786748491 UYZUIKFVSNQBEQ-HXUWFJFHSA-N 466.585 5.398 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)cc3)CCC2)ccc1F 1789531408 CXCNEFBAPDVKRE-PVHODMMVSA-N 497.595 5.262 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)ccn4)cc3)CCC2)cc1 1789827731 IPDDCGHFUTVVPO-UHFFFAOYSA-N 464.447 5.034 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)cc2n1 1790256037 PSSKCROJGSAZLJ-UHFFFAOYSA-N 450.498 5.069 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3C(F)(F)F)CCC2)cc1 1790563200 BVFMLLASWBLLRU-INIZCTEOSA-N 493.501 5.322 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4nc(C)oc4C(F)(F)F)CCC3)cc2)c1 1790795090 VTOWTSFTRFGRLP-UHFFFAOYSA-N 482.462 5.243 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc(Cl)n1 1792125359 WKWZRSUMDMNRCN-QGZVFWFLSA-N 488.975 5.432 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3Cl)CCC2)cc1 1792240294 XBLFPNZATMLBPW-UHFFFAOYSA-N 495.366 5.087 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccnc2-c2ccc4ccccc4c2)C3)C1 1792500859 IUAQNUGHNRXLEO-QEIWAGNOSA-N 451.570 5.120 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C 1793472569 CXXSKCQAXHVRLU-JTOYRKQZSA-N 497.680 5.191 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2cccc(C(F)(F)F)c2)[nH]n1 1794715745 JNLRFXAAUUFVQX-WOZUAGRISA-N 486.538 5.116 30 20 JKED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C2 1800110545 OXPQSBMMJWYICW-BKFWDETESA-N 482.665 5.043 30 20 JKED C=CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)c(O)n1 1801200995 SKUNFRPGQFIBRZ-WKCHPHFGSA-N 495.579 5.371 30 20 JKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1802307502 KCSMTDSEQZVBBB-KOUNCHBCSA-N 484.518 5.553 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2c(F)cccc2Cl)[C@@H]1c1cccnc1 1802492872 RECJRSZBRLSFIT-YADARESESA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccnc1 1802495284 JNANWOXUMNPRGS-DYESRHJHSA-N 475.420 5.095 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)C4(c5ccc(Cl)cc5)CCC4)CC3)C2)cc1 1804946559 GVPQCPOTWYJTGV-UHFFFAOYSA-N 490.047 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1809211753 SOWUDKIDOYTACV-LZCXECNNSA-N 489.019 5.371 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1809753207 ILCTYPDXXVKASM-XMSQKQJNSA-N 467.660 5.670 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C1 1810352832 HAQOWCHBWGUBDM-UHFFFAOYSA-N 492.623 5.016 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1)c1ccc(O)cc1 1810516846 GXUVXWNPTGLODI-OAQYLSRUSA-N 490.625 5.242 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810726455 LYKCCNONBHEIAL-RDGATRHJSA-N 491.538 5.405 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)ccc3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811136561 HRIJVFSLNJNEMK-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1812791030 FOLKEVHBKMWNPM-JPMIEVGJSA-N 451.655 5.318 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1 1812804217 JBKNZHPXPUJHFW-LITSAYRRSA-N 488.676 5.588 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c1Cl 1813862060 UKVHRGRJZNOOST-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC(=O)Nc2ccccc2)n[nH]1 1814839654 VDDFSRBTMGHKOC-QFIPXVFZSA-N 479.625 5.203 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1819257978 OMGRDXFGAZYCBK-JXFKEZNVSA-N 479.631 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)[nH]n1 1819306016 UYOJDDVFCSMKOW-WIYYLYMNSA-N 495.027 5.348 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)[nH]n1 1819556117 UOACGMLRQLUPMI-HSZRJFAPSA-N 496.652 5.434 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)c1c(-c2ccccc2)cn2ccccc12 1820149541 TVZBIURRDOSWHP-DEOSSOPVSA-N 477.568 5.049 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1Cl 1820223230 JVXVKDWRVFDPCG-IBGZPJMESA-N 498.370 5.216 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1820977783 YCWSYJAPCLTVGH-NTKDMRAZSA-N 473.577 5.184 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821159526 YVBPNTFZMDAWET-HSZRJFAPSA-N 477.634 5.042 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277705 GOKDBCSOKLWXST-QFIPXVFZSA-N 496.087 5.292 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc4ccc(Cl)cc4c3)n[nH]2)c1 1821428838 LGYHJALYSSWVET-DEOSSOPVSA-N 498.974 5.411 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1822576819 TVAKUUXMXHUGGQ-ARKBFRDHSA-N 472.511 5.328 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)ccc2n1 1823215509 TVKDNIUCVLVOIF-DWXRJYCRSA-N 492.583 5.513 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)[nH]n1 1823421245 SWJJTEJGOBQPDW-DEOSSOPVSA-N 472.614 5.421 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2F)CC1 1823933931 VTZJPQOZBHMAQM-QFIPXVFZSA-N 477.418 5.015 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824055765 DIFSUPWEHZCSEP-BURHJUHKSA-N 492.969 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)CC1 1824154212 ZHBMFTNCHZNCCF-SANMLTNESA-N 479.665 5.184 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1)NC(=O)OC(C)(C)C 1824354896 QLXSGEFJFCYQGG-DNQXCXABSA-N 489.701 5.046 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1824502176 YPSLJBNZMQVSLH-SDQWYYNMSA-N 464.606 5.049 30 20 JKED CSCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1824559138 NBGZZBFLCQDSTF-NRFANRHFSA-N 495.611 5.200 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)CC2)c1 1824778675 IOZZIWGSZFEPGU-KPURRNSFSA-N 494.639 5.338 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1C 1824805523 YNRXVQMTLJCNMS-RUZDIDTESA-N 494.035 5.005 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)CC1)c1cccs1 1824823570 NYOQYBSIOPIBAK-LWASQVHOSA-N 498.595 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1827494969 DPFDAZQRTIICHX-DENIHFKCSA-N 469.029 5.170 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1828830555 PUWBTOWNFATQKA-SQHAQQRYSA-N 479.640 5.628 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1828904448 XKKSLDKRMBWFLZ-QHCPKHFHSA-N 480.716 5.483 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)c2[nH]1 1828906508 QHFOJBLRAKGDQD-SANMLTNESA-N 491.752 5.761 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1 1828906532 RSGNTHASUBPTCQ-XMMPIXPASA-N 478.709 5.717 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cncc(C)c2)CC1)c1ccccc1 1829029469 BCEBZJVCAQKQET-WDYNHAJCSA-N 485.672 5.140 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)CC1 1829068147 HSTZGQMLVPKBRF-GOTSBHOMSA-N 489.701 5.068 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3C)CC2)c1 1829675726 HMQWIASUOBXDGZ-VWLOTQADSA-N 480.008 5.076 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1830011911 HXAXUUWLPHTXCR-IQWMQGJTSA-N 475.555 5.160 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)c1Cl 1830350076 QHFYFXNRZJBUJT-HRBBJJPOSA-N 454.014 5.191 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1830417082 XNTQOCVOLKTWKX-UTKZUKDTSA-N 473.614 5.075 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)C1 1830606907 UHQYUVJBFLXWSE-MHZLTWQESA-N 459.634 5.294 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)cc1 1830633224 KNFAIAGLAIUYET-XMMPIXPASA-N 467.972 5.092 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1Cl 1830661582 FFVNNKPOLTUBBX-UNMCSNQZSA-N 485.065 5.066 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1830767021 ZXXYHCQKOGGFKW-GMQQYTKMSA-N 473.592 5.043 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1830796075 SFXUXFMSPACCIV-XMMPIXPASA-N 492.582 5.445 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830830677 ZEAJXUSAUCDKIO-KOSHJBKYSA-N 454.014 5.334 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1F 1832620550 JVRBJNKMLKVBJY-AREMUKBSSA-N 479.571 5.011 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3F)CC2)c1 1832633306 GKKJSWQEUWQMRN-UUOWRZLLSA-N 465.544 5.139 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc(C(F)(F)F)c3)CC2)c1 1832633327 BASGYKXRDGBOMV-JPYJTQIMSA-N 498.549 5.275 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC(C)(C)C)CC2)cc1C#N 1832701341 DQYNWDWUPQZHRQ-HSZRJFAPSA-N 453.627 5.015 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)CC1 1832827771 BNFYODQJOZINOR-HSZRJFAPSA-N 473.455 5.219 30 20 JKED C=CCSCC(=O)N1CC2(CCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1844724157 HRTBQXKYVSTYMK-UHFFFAOYSA-N 480.596 5.489 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCCC12CN(C(=O)c1cccc(C#N)c1Cl)C2 1845046949 VJSFZRXSTWAAMK-UHFFFAOYSA-N 487.987 5.039 30 20 JKED C=CCn1c(SCC(=O)NC2(C#N)CCCCC2)nc2scc(-c3ccc(C)cc3)c2c1=O 8649345 OYMULKMGNLKTKG-UHFFFAOYSA-N 478.643 5.054 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(F)cc2)nc2scc(-c3cccs3)c2c1=O 11382813 NYAFFAUAFMQBAH-UHFFFAOYSA-N 485.631 5.262 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NCCc3cccs3)s2)n(C2CCCC2)c1C 12484270 RBLOYGDBYPMQJY-UHFFFAOYSA-N 486.692 5.390 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1 15247690 CFROGXUNECORFY-UHFFFAOYSA-O 481.222 6.094 30 20 JKED C[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)N(CCC#N)c1ccccc1 21727944 OGEICMXTYMKWSK-INIZCTEOSA-N 462.575 5.925 30 20 JKED C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 22493099 ZLORYRGUECMLKZ-QGZVFWFLSA-N 478.907 5.202 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)n2C)cc1 25017544 BOPCBBHPIGFNCO-UHFFFAOYSA-N 483.041 5.021 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1ccccc1Br 28811094 DCRBWKLUUBHQJG-UHFFFAOYSA-O 496.328 5.686 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)c2)c1 31776656 GODSSYPPHPGFQT-UHFFFAOYSA-N 458.905 5.412 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 33474894 BIAMPVQDGJSWMP-HXUWFJFHSA-N 453.571 5.362 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nc2sccc2c1=O 36812052 RPXFTAZNYDKBCR-NWDGAFQWSA-N 468.431 5.309 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)c2)cc1 97547926 LSLRFNFHOXBPAD-UHFFFAOYSA-N 471.520 5.528 30 20 JKED C=CCN(C(=O)Cn1ncc(=O)c2ccccc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 105040191 YTQUHSPHAOWQTB-UHFFFAOYSA-N 471.369 5.046 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc4ccccc4c3O)c2)c1 110016817 BYXGZRBTQLKUMD-HHHXNRCGSA-N 491.547 5.239 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nnc1-c1ccccc1F 219371982 PYRCVTIWMGTSCV-UHFFFAOYSA-N 474.565 5.064 30 20 JKED Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1NC(=O)c1ccccc1F 302957719 FXWARUYIXJWMHX-UHFFFAOYSA-N 465.484 6.303 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(-n2ccnc2C)c(F)c1 303020916 OTTIIATWYRCMPI-UHFFFAOYSA-N 455.493 5.614 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 303048647 UUFUOVRICQRHLI-UHFFFAOYSA-N 492.560 6.740 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 499357972 KAELHRDSMHDRPA-UHFFFAOYSA-N 462.600 5.809 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2)cc1 501463507 UTCBOMAQZPXZOM-UHFFFAOYSA-N 487.515 5.385 30 20 JKED CC(C)CCN(CCC#N)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 505181715 JGBQHXPQJOVZFJ-UHFFFAOYSA-N 456.384 5.032 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)cc1 505697988 PFHCGEYLHSBSPX-AWEZNQCLSA-N 484.339 5.423 30 20 JKED C=CCOc1cccc(NC(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)c1 510404571 RKPBRDCXLWSDGP-DEOSSOPVSA-N 471.557 5.704 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(=O)Nc1ccc(Br)cc1 510632763 IPIWKMIPJMJUAF-UHFFFAOYSA-N 479.334 5.182 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 511565408 SFBYCXPKTBVRCS-RPLLCQBOSA-N 487.556 5.327 30 20 JKED CCCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 512322234 XFINGFYDNRKAKA-NHCUHLMSSA-N 496.567 5.046 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1 512536412 RVBSECUCAHDDFP-UHFFFAOYSA-N 465.509 5.271 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc(C(F)(F)F)cn1 513215329 WNQFXYXIVHWFLW-MRXNPFEDSA-N 465.225 5.525 30 20 JKED CCCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1[C@H](CC)N(C)C 513347636 LWTORQXQEUQXJH-LPHOPBHVSA-N 488.727 5.412 30 20 JKED Cc1cc(C)n(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cn2)n1 513986962 GSOYZVVKVDRHQV-UHFFFAOYSA-N 454.509 5.129 30 20 JKED Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cnn1-c1ccc(Cl)cc1 514348204 KUAWTHDKGWBJSY-UHFFFAOYSA-N 466.979 5.102 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)CC1 515512875 UNTZHORGXHPBJA-PUNYLYHSSA-N 474.564 5.337 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cccc(Cl)c1 516074951 MBGMAXBTJVFZCA-QGZVFWFLSA-N 454.342 5.496 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)c(C(F)(F)F)c1 516128896 GMRSWTUVMBGFFR-UHFFFAOYSA-N 466.828 5.438 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1OC 516713794 JQNBTQKSEKUXQH-LJQANCHMSA-N 464.481 5.188 30 20 JKED CC1CCC(OC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)CC1 517473240 LBHFQQISVSORKN-UHFFFAOYSA-N 482.024 6.382 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccc(C(N)=O)cc2)n1 518131373 LPLGMNMCMGMWJE-HNNXBMFYSA-N 482.656 5.033 30 20 JKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 518541556 NUZZYQUSJBPSSY-UHFFFAOYSA-N 475.854 5.478 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)c1ccc2ccccc2c1 518668400 ALCVEXXIKKPHSI-UHFFFAOYSA-N 471.504 5.623 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1C 518893633 GCVYSEAHBVBIAW-UHFFFAOYSA-N 490.032 6.096 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cc2)cc1 519057811 SSMPWAXZMFUGDJ-UHFFFAOYSA-N 454.511 5.241 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 519501618 KNXFQXQKMAJJPN-QFIPXVFZSA-N 455.558 5.801 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 520145165 XPXOPKNRKZFDLO-QFIPXVFZSA-N 461.949 5.038 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 520715673 DZYWPLBXKYVTAC-UHFFFAOYSA-N 460.305 5.961 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)cc2)cc1 520948490 ODCZVDWPHYNLDM-OAQYLSRUSA-N 463.946 5.296 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(I)c1 521796738 GFEWIKSIGXYJKC-NSHDSACASA-N 456.736 5.591 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N 521810535 SNGMEQHQTSWSIH-OAHLLOKOSA-N 475.412 5.254 30 20 JKED C=CCN(C(=O)c1ccnc(Oc2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 523584387 UFFCTRHHRMSNAK-UHFFFAOYSA-N 458.499 5.738 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ncccc1OCCCC#N 524023031 IBHVCJFKNOVRPP-UHFFFAOYSA-N 458.349 5.055 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)s2)c(C(F)(F)F)c1 524202821 LRWFOTIPPIWVMP-UHFFFAOYSA-N 471.420 5.266 30 20 JKED COc1cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 585813506 VQKQEUSIHWKIKL-VXGBXAGGSA-N 453.345 5.635 30 20 JKED C=CCN(Cc1nnc(-c2c(Cl)cccc2Cl)o1)S(=O)(=O)c1cccc(Cl)c1 588165620 REOOVZISZOTUHX-UHFFFAOYSA-N 458.754 5.074 30 20 JKED CSc1ccc(C(=O)c2ccccc2C(=O)Nc2sc(C)c(C)c2C#N)cc1[N+](=O)[O-] 603445076 LEFIERVHRZLRBD-UHFFFAOYSA-N 451.529 5.350 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(COCC(F)(F)F)cc3)cn2)c1 603691564 PLQZZJHVIMGXAM-UHFFFAOYSA-N 456.424 5.146 30 20 JKED C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2[N+](=O)[O-])C1 604003455 BPOJHQNFOITAGQ-HXUWFJFHSA-N 484.556 5.728 30 20 JKED CCCc1ccc([C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)cc1 604137215 PHGXYXFPUGSDBU-DEOSSOPVSA-N 460.578 5.489 30 20 JKED CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604142566 QZKUNADUCIZFGY-KRWDZBQOSA-N 477.948 5.607 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604365124 WAQWAGFJOBWNDN-HOTGVXAUSA-N 471.401 6.254 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 604461480 ODBXXBOJHZEOGN-HXUWFJFHSA-N 476.527 5.258 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c(C#N)c1C 609018618 IHHLJGVJCQIOHL-UHFFFAOYSA-N 490.516 5.577 30 20 JKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2Cl)n1 609166892 HVLDTUZQSISEHO-QGZVFWFLSA-N 474.952 5.084 30 20 JKED CCn1c(SCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnc1-c1cccc(C)c1 609176539 MJRHBRZBUPCVDP-UHFFFAOYSA-N 469.570 5.668 30 20 JKED COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)NC2CCN(CC#N)CC2)cc1 609330181 KPAZEFSAPHFVSN-XXBRTLJISA-N 480.612 5.084 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 609376826 KANSYNLWFWMOND-OAHLLOKOSA-N 484.408 6.750 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C2CC2)ccc1O 609424490 RRFJLNKWTPFUGY-UHFFFAOYSA-N 457.530 5.356 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c12 613402009 YSUVQTQIVRKNGE-AWEZNQCLSA-N 462.485 5.240 30 20 JKED Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n(-c2cccc(C(F)(F)F)c2)n1 618540051 OXUKBEPWZZIFRL-BETUJISGSA-N 488.354 5.794 30 20 JKED O=C(Nc1ccccc1SCC(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540786 XTVMRRSHLNEEGF-NXEZZACHSA-N 454.358 5.936 30 20 JKED Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)s2)c(C)c1 622283166 LHGPFACKXRAMPS-OAHLLOKOSA-N 457.502 6.546 30 20 JKED C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nc2ccccc2n1C(F)F 642679486 KAPALKPADLJCLW-WYUUTHIRSA-N 472.380 5.701 30 20 JKED N#CCCn1cc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c2ccccc21 656501213 FLIWQVDNMRMWQN-UHFFFAOYSA-N 466.364 5.078 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 726137341 LWTIZQHOZVSLEM-UHFFFAOYSA-N 466.950 5.640 30 20 JKED COC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccccc1 726321919 CAYSNPQGOMZLFF-YOEHRIQHSA-N 498.033 5.384 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCCOC)c1 726413188 SCRQFURBXLCSOF-XMMPIXPASA-N 477.630 5.062 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(C2CCCC2)C1=O 726417125 YKIQSZABEAFHBU-VUQSWFEGSA-N 485.631 5.087 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccco1)c1cccs1 726420214 HTFHWPSISIMVIT-RRZAIFFPSA-N 475.542 5.209 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCc3nccs3)C2=O)c1 726423382 ZBSDSVWYXHXFFJ-AIENNRMESA-N 498.699 5.454 30 20 JKED COc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1Cl 727978973 RBMZWTYAZVHATP-UHFFFAOYSA-N 458.370 6.262 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 728424686 GOTSZVDZNLHPRT-UUOWRZLLSA-N 483.597 5.237 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2\CN(c3ccccc3)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697912 ZRORMFUPLUBPTB-YZOQYODYSA-N 489.575 5.825 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 729145652 MYRMFUSNWDCKJS-GOSISDBHSA-N 488.997 5.405 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2scnc2C)cc1 729145668 NCHYIOCZDDEECZ-NRFANRHFSA-N 494.642 5.183 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)cc1 729634900 WGJCSDGVPIZPON-QHCPKHFHSA-N 492.576 5.088 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 729889074 POSVQMOAIGOLHR-GQNXPXPTSA-N 489.616 5.330 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 730691856 OZPRGNJLVIKKIG-INIZCTEOSA-N 487.528 6.256 30 20 JKED N#Cc1ccccc1NC(=S)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 730736139 BQNPQWFWWRHDAQ-UHFFFAOYSA-N 465.376 5.060 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943277 BDRWFCCNZNURCC-CYFREDJKSA-N 488.613 5.510 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943584 GRIACGYYSJSGMO-RDPSFJRHSA-N 472.614 5.728 30 20 JKED CCc1c(C)sc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)c1C#N 730967749 FHCRPEGHKQKFBU-UHFFFAOYSA-N 456.305 5.265 30 20 JKED CC(C)Oc1cc(Br)ccc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731075661 HLSYAGPVTHAAQW-OAHLLOKOSA-N 491.407 5.426 30 20 JKED N#C[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1cccc(Cl)c1Cl 731196079 WRULSZOPVMIOGT-CCAPLTMGSA-N 496.466 5.417 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2c(C)cccc2C)c1 731304201 LRTQYLINXYPDOE-HSZRJFAPSA-N 489.597 5.178 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c1 731306006 ILTCRGMWABXQHG-OAQYLSRUSA-N 465.600 5.231 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731311755 DRQACEYHBGCTPE-AVRWGWEMSA-N 496.592 5.662 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccccn2)n(-c2ccc(C)cc2C)c1=S 745161893 IVXSEILBNQMDQL-UHFFFAOYSA-N 466.614 5.600 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 746697234 BWXQJWNXLJGZBN-QFIPXVFZSA-N 488.053 5.734 30 20 JKED C=C(C)COc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)ccc1OC 747064459 WOJQWMPGLJLOSL-WOJGMQOQSA-N 455.967 5.799 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cscn2)c1 747600566 BSGTUMRPZPKWCA-NRFANRHFSA-N 464.616 5.174 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CC[C@@H](C)c2ccccc2)C1=O 749739365 BIKVKBXPGZWZHW-DNVCBOLYSA-N 477.602 5.263 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)[C@@H](C)c1c(C)noc1C 749786413 UFIJLDXQHSXSAW-YCRPNKLZSA-N 464.547 5.616 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)c2nc(-c3ccccc3)no2)nnc1-c1ccc(Cl)cc1 761725644 KDEPRWPQXQBANT-HNNXBMFYSA-N 481.965 5.231 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cc(Cl)cc(Cl)c1 799224841 ZSMRDZBOHCORNO-GOSISDBHSA-N 496.803 5.249 30 20 JKED N#Cc1ccccc1/C=C\C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 799734637 JWEZULLWYGPIHY-JYRVWZFOSA-N 472.353 5.318 30 20 JKED CC(C)c1nnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)n1Cc1ccco1 807651215 VWYTZSRFYNDWPY-SFHVURJKSA-N 463.588 5.135 30 20 JKED COc1ccc(-c2nc(SCCOc3ccc(Cl)cc3Br)nc(O)c2C#N)cc1 824959064 BATDNUHXRCQRDN-UHFFFAOYSA-N 492.782 5.316 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 837530858 BFAHHNHHFLATDQ-FOIQADDNSA-N 499.423 6.110 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc(C#N)c2)NC(=O)N1CCc1cccs1 840189072 RUHXSINPUBUJTI-VWLOTQADSA-N 470.598 5.458 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1 858085848 KYQVYWFZUGOBSH-FQEVSTJZSA-N 499.596 5.105 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(C3CCN(c4ccc(C#N)cc4F)CC3)n2)c1 904634334 LIIUUGNSLREXOY-UHFFFAOYSA-N 463.513 5.478 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N([C@@H](C)Cc2ccco2)C1=O 914690735 DEJISNLPYLCCPI-FDDCHVKYSA-N 477.586 5.188 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C 915381055 KZKGFAWLWHRDKQ-IBGZPJMESA-N 459.424 5.089 30 20 JKED COc1ccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2C2CCCCC2)cc1 915795727 IOOQOEGUAQJZAG-UHFFFAOYSA-N 462.623 5.363 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=S)Nc2ccccc2C#N)cc1C 915998374 YXECFGOMCZCTGF-UHFFFAOYSA-N 451.599 5.857 30 20 JKED COc1cc2c(cc1C=Nn1c(C)nc3scc(-c4ccc(Cl)cc4)c3c1=O)O[C@H](C)C2 916541194 JXQUUTDUUJLJMC-CYBMUJFWSA-N 465.962 5.301 30 20 JKED CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916683962 OKBLUDLKUGLMTG-VWLOTQADSA-N 474.992 5.496 30 20 JKED O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 916702468 YPRJZOCHRXPADY-NXEZZACHSA-N 489.342 5.317 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 916902208 WBCZAZOZIQZOKS-HNNXBMFYSA-N 499.976 5.067 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 916903024 MVEUWXYKFHKVPD-MRXNPFEDSA-N 489.981 5.665 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944520 GSRSMVWRMRNVMT-HNNXBMFYSA-N 481.748 5.136 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1OC 916944856 ONGUFYVMGLWGII-INIZCTEOSA-N 490.368 5.404 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3cscn3)c(OC)c2)cc1 916955496 RDFLGCMDNDKOEF-HRAATJIYSA-N 463.559 5.205 30 20 JKED CC(C)(C)OC(=O)NCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995339 FAVKYJBGFBJRND-CQSZACIVSA-N 454.379 5.598 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 917043749 NLCRHNBKEAJTEN-HIFRSBDPSA-N 463.506 5.248 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 917047277 VMDPKPQOCPUPQK-MRXNPFEDSA-N 468.007 5.424 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc([C@@H](C)N(C)C)n(-c2ccc(Cl)cc2)c1=S 917458187 VNQWNXDYYNQOST-GOSISDBHSA-N 469.058 5.421 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cs1 917560067 GLDDNVCCCBKOTP-JLHYYAGUSA-N 482.993 5.907 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 918549005 MTXCIOSKBNFJDG-UHFFFAOYSA-N 479.627 5.595 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)c1C#N 919034824 BXRYXBPZLARWSS-UHFFFAOYSA-N 482.562 5.190 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cc(C)on3)C2=O)cc1 920352230 KROPLWQORXIGEI-QFIPXVFZSA-N 492.601 5.159 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3c(C)noc3C)C2=O)c1 920357234 WHPNAYCTXOVFKM-OAQYLSRUSA-N 498.992 5.114 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1csc(Cc2ccc(F)cc2)n1 920878702 KXIAFIXESHCRSK-UHFFFAOYSA-N 475.339 5.054 30 20 JKED N#Cc1ccccc1/C=C/C(=O)Nc1ccccc1NC(=O)c1ccccc1I 921154586 WHNZUAPYFYVABN-BUHFOSPRSA-N 493.304 5.067 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cnccc3C(F)(F)F)cc2)CCC1 1787351635 OYVIHQOTMHQRBZ-CMDGGOBGSA-N 499.514 5.349 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCC(=O)c3ccc(OC)cc3)cc2)CCC1 1787689155 ZQCWZBLMZOGKPB-UHFFFAOYSA-N 470.516 5.004 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C(C)(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1787705550 XWWWYLCQPFSYTI-HXUWFJFHSA-N 457.615 5.026 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4)CCC3)cc2)c(C(F)(F)F)n1 1788358481 BBUIUGNONQDEMN-UHFFFAOYSA-N 464.447 5.034 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cnc(Cl)s3)CCC2)cc1 1788650772 QIWVRFCPVQCLFP-CMDGGOBGSA-N 471.991 5.045 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)c(C(F)(F)F)c1 1788728289 LKSGANPKDUUILN-AWEZNQCLSA-N 453.530 5.154 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cc(C)n1 1788838077 HXFJFHJTQBHESR-UHFFFAOYSA-N 496.611 5.673 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1789452843 AUTOYKDWQRZEBZ-QDSKXPNFSA-N 493.648 5.358 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)no4)cc3)CCC2)c1 1789782086 JZQLQYPTABGFDD-UHFFFAOYSA-N 462.509 5.275 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)cc1Cl 1790608854 LUNXBZMMUNMASD-UHFFFAOYSA-N 451.954 5.179 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(Br)c3F)cc2)CCC1 1790628144 TVJGYDKTYHUNKG-UHFFFAOYSA-N 457.343 5.139 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c(F)c1 1790642327 PDNMHXLPCPJLAI-GOSISDBHSA-N 471.532 5.523 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc(Cl)c3O)cc2)CCC1 1790760369 CTARXHYOYPNRRJ-AWEZNQCLSA-N 478.376 5.248 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCc3noc(-c4ccccc4)n3)CCC2)cc1 1791300522 MJDZZFZZQIRLFK-UHFFFAOYSA-N 480.515 5.015 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccc(C)cc34)CCC2)cc1)C(F)(F)F 1791303053 IYJWCSMCAQFNFS-UHFFFAOYSA-N 455.480 5.271 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)CCC2)cc1 1791578965 OFAATJMSSUBUJZ-SFHVURJKSA-N 497.661 5.120 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnn4c(-c5ccsc5)ccnc34)CCC2)cc1 1791582903 KGZZDMVFAAECOI-UHFFFAOYSA-N 483.597 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1792220501 NHMSPMFZMRGBFK-FGZHOGPDSA-N 469.626 5.192 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)cnc3s1)C2 1792572846 XMCMLAPQBUQHGG-BCDXTJNWSA-N 490.467 5.303 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 1794716003 WGRLAJGDNIKQLG-ACDBMABISA-N 488.554 5.340 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C2 1798331446 NDSDWUKNYQCRRF-BJESRGMDSA-N 497.561 5.788 30 20 JKED O=C(CCCC(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800505156 SJSKZYXDOYWMJV-BKFWDETESA-N 468.519 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc2ccc(Br)cc12 1800877824 SZHLAJVDCNLSLZ-REPLKXPHSA-N 484.438 5.242 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2cc(Br)cnc12 1801113770 ISLNTKILTNMZOX-WKCHPHFGSA-N 482.422 5.018 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn(-c3ccccc3Cl)c1C(F)(F)F)C2 1801638961 FTXSOZKYXUIFNI-NXOAAHMSSA-N 494.945 5.009 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2c2cccnc2)cc1 1803608565 XHVSJOLXWJJTBN-IEUSDUHPSA-N 481.706 5.017 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3c(Cl)cncc3Cl)C2)CC1)c1ccccc1 1804734646 ZDTIMYMIRMGXME-NRFANRHFSA-N 498.454 5.430 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc5cc(F)ccc5s4)CC3)C2)cc1 1804758954 NTUMXOZYPKUFNW-UHFFFAOYSA-N 489.616 5.390 30 20 JKED Cc1occc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1805621187 NEVSXFLDLQWSQN-YTMVLYRLSA-N 489.575 5.016 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)C1 1806065575 FNRLZOZIXKHBOP-FQEVSTJZSA-N 491.019 5.087 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1)c1ccccc1 1809161071 CPBGWEXHBRTMPA-GJZUVCINSA-N 457.618 5.233 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1810272902 TVEFFEWPTKPOEL-VDSHTBCZSA-N 479.741 5.275 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1810503460 QTZGGKBYFBVRFT-NFBKMPQASA-N 454.014 5.355 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c(Cl)c1 1811850363 PUYNVTPOJULMPM-BVAGGSTKSA-N 484.987 5.117 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1812676422 UAUBSCHTMBUDHZ-JWQCQUIFSA-N 475.539 5.280 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1)C(F)(F)F 1812683696 RMOPKLNLTKBTLF-KXBFYZLASA-N 486.321 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)CC3CCC(C)(C)CC3)[C@H]2c2cccnc2)c1 1813868702 QJAHZDAGNAZYGS-LARUCZGFSA-N 486.660 5.635 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC)cc2Cl)[C@H]1c1cccnc1 1813904131 MTQPJCXHCQGZCS-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2)[C@@H]1c1cccnc1 1813931548 GPCULCPLHLRJIB-AHWVRZQESA-N 475.633 5.182 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(Cl)cc3F)[C@H]2c2cccnc2)c1 1813973865 YTTBFMBJQDMCBP-WZONZLPQSA-N 497.357 5.033 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1814303346 POSDIMPMZBEWOS-SUYBVONHSA-N 481.640 5.375 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cc(Cl)ccc3Cl)[nH]n2)C1 1814396276 BUGGJNBDHHBMOV-FQEVSTJZSA-N 461.393 5.308 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1814567680 QLXGIJXREHSKHJ-SFHVURJKSA-N 465.941 5.179 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815203419 FHVJYEARWVFFLP-RDGATRHJSA-N 487.044 5.478 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[nH]n1 1815249105 SMSFWHPWDFKUOZ-QUCCMNQESA-N 494.583 5.107 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)c1 1815984594 GVVMRZRCUUOBML-IGONNILYSA-N 459.575 5.118 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(CC(C)C)oc3ccc(OC)cc23)n[nH]1 1817711614 VOUVUWMPGOCRCM-QFIPXVFZSA-N 490.604 5.472 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817739391 RQEDVZKIZRHUDV-NVQXNPDNSA-N 483.616 5.854 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc[nH]c23)n[nH]1 1818771371 HMSRZUVPDCSNBX-QFIPXVFZSA-N 475.669 5.248 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)[nH]n1 1819306099 WRAYTHDSKYIWOI-XUZZJYLKSA-N 469.589 5.546 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)[nH]n1 1819306102 WXEQMCHZXUMDBN-URXFXBBRSA-N 457.578 5.341 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1819386785 HUSBKUMQWPIVNQ-NRFANRHFSA-N 496.087 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2ccccc2)n[nH]1 1820005604 XMUDEPMQTBYLIT-XMMPIXPASA-N 471.605 5.770 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820078920 BGAINGQSNWHEMT-CPJSRVTESA-N 481.600 5.848 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1820639949 XFDFOTZKFSEQCZ-VWLOTQADSA-N 485.588 5.009 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)CC1 1821280489 VKIWCXRCQUCYKZ-WJPUGNRLSA-N 453.974 5.067 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(O)c3cc2OC)n[nH]1 1821497485 ITCOATXOEKTDRP-QHCPKHFHSA-N 488.588 5.351 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1821918218 HEXPEFJYRBOZOW-XUBBYMEQSA-N 460.500 5.346 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccccc3)CCC2)n[nH]1)c1cccs1 1822320983 VAQLYYOUJROIML-IWGBCORSSA-N 488.613 5.024 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)[nH]n1 1822580202 VKSSZLKTRAJEQL-NRFANRHFSA-N 461.591 5.033 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1Cl 1823185450 CAQYLFQUDKCBJA-JTSKRJEESA-N 475.980 5.618 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)[nH]n2)c1 1823212941 ZWGDKKWYIVWXJJ-HOYKHHGWSA-N 485.563 5.214 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(Cl)c1 1823216167 PKOTZHTYCRIFEN-MWTRTKDXSA-N 491.979 5.318 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(NC(C)=O)ccc2Cl)n[nH]1 1823327268 CWSVKTUDIAFJDI-OAQYLSRUSA-N 486.016 5.320 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1823658131 IPSCLNOUMLMSMU-HFZDXXHNSA-N 486.660 5.553 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1824499820 PAFDXITTYFOEDH-AREMUKBSSA-N 493.623 5.104 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1827173426 OZJPCVSLNULJGW-MUUNZHRXSA-N 482.628 5.100 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828254485 ARVAEBJVMHZDDY-FQEVSTJZSA-N 461.578 5.049 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2Cl)CC1)c1ccccc1 1829032113 JLGKWIRFILZOBQ-BVAGGSTKSA-N 478.036 5.166 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1829035316 PCTIMKSOBLLFTL-FQLXRVMXSA-N 499.655 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 1829071005 NWVVPYYDCGLUEV-DEOSSOPVSA-N 452.639 5.237 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1829099920 LSQAAFLWBJLGAG-RUZDIDTESA-N 475.658 5.201 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)nc4ncccc34)CC2)C1 1829599383 LNUUKXQVKQCVST-MUUNZHRXSA-N 494.639 5.496 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc(C(F)F)c3)CC2)c1Cl 1829688221 SSCPUQSNAXFEBW-OAQYLSRUSA-N 486.950 5.091 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1831446026 RVEWQNROURPJBX-FQEVSTJZSA-N 461.578 5.049 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1832633860 OLOHGKDBSQOHDV-FQRUVTKNSA-N 461.581 5.308 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCCC2)CC1)NC(=O)OC(C)(C)C 1832754898 KHAGOMJWRLSEDA-DNQXCXABSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(CCCCC)s3)CC2)CC1 1838373469 PZJSTUURGLLGQW-HSZRJFAPSA-N 487.710 5.256 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)C1 1845671618 PUXXAZBJEGGJSA-UHFFFAOYSA-N 487.676 5.296 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccc(OC(F)(F)F)cc2)c1 10174198 DPKOCKKGPYDOAG-UHFFFAOYSA-O 465.542 5.910 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)nnc1-c1ccc(Cl)cc1 10240493 JRSOIENOALQLHR-UHFFFAOYSA-N 491.400 5.330 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nc2scc(-c3cccs3)c2c1=O 11381016 GFVGDAWUYXXNLE-UHFFFAOYSA-N 471.604 5.551 30 20 JKED COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1cc(C#N)ccc1F 13160436 QVLVDQXOCOSEHG-UHFFFAOYSA-N 474.561 5.474 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc2c1=O 15231209 UOFBAVOCBVFFFP-UHFFFAOYSA-N 454.766 5.274 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2ccccc2OC)nc2scc(-c3cccs3)c2c1=O 16986888 FIEUQBJNOGRBGV-HNNXBMFYSA-N 497.667 5.178 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccc(Cl)cc1 18972594 GVSFTBRRGKRCPX-QFIPXVFZSA-N 499.036 5.983 30 20 JKED N#Cc1ccc(NC(=O)CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1Cl 20977819 UUQWFGWXFGLRMN-WSDLNYQXSA-N 490.947 5.466 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22692854 GSHWZXIHFCIWDE-UHFFFAOYSA-O 495.668 5.919 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 23602761 BMEBKZVCNSJMQF-NRFANRHFSA-N 482.613 5.124 30 20 JKED O=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 24381041 DDMBUIQKDGLXJG-UHFFFAOYSA-N 451.729 5.955 30 20 JKED COCc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2cccc(F)c12 32040502 KPDULGMDGKCSSQ-UWVGGRQHSA-N 457.411 5.826 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 32785795 OVNYHLZHWFWSCN-QGZVFWFLSA-N 491.642 5.306 30 20 JKED COc1ccc(-c2n[nH]c(/N=C(\O)COc3cc(Cl)c(Cl)cc3Cl)n2)c(OC)c1 60200163 RQOMMTLLXSXJSK-UHFFFAOYSA-N 457.701 5.116 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1)c1ccc(F)cc1F 69531934 TYUUEGDQDDJWOL-VQHVLOKHSA-N 484.524 6.870 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 71978432 WNLJIDWFZGHJFJ-UHFFFAOYSA-N 450.567 5.314 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4S[C@@H](C)CC#N)c(=O)c23)cc1 78720052 CVXFDZMVBYZIBM-SFHVURJKSA-N 488.638 5.857 30 20 JKED COc1cc2c(cc1NC(=O)CNc1ccccc1Oc1ncccc1C#N)oc1ccccc12 108347020 OMKZJTLTCPCBKT-UHFFFAOYSA-N 464.481 5.704 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(CSc2nccn2C)c1 303151859 VUXWRHAXGWVBMG-UHFFFAOYSA-N 455.543 5.332 30 20 JKED Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1S(=O)(=O)Nc1ccccc1 480434004 KQSBIHMUUXSDHT-UHFFFAOYSA-N 487.537 5.092 30 20 JKED COc1ccc(Oc2cc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)ccn2)cc1 482852700 XXNFUPIHWJTJBB-UHFFFAOYSA-N 451.482 5.476 30 20 JKED CC(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 487177873 QYPZROGIWVUYNH-XMMPIXPASA-N 459.977 5.619 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3coc(-c4ccccc4)n3)s2)c(C(F)(F)F)c1 487290372 OCALTIRAOWOMCJ-UHFFFAOYSA-N 468.460 5.461 30 20 JKED Cc1cc(N2CCSCC2)ccc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 497515115 CJDRKHGDCFCOBS-QGZVFWFLSA-N 454.665 5.189 30 20 JKED CC(C)OCc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)oc2ccccc12 501459657 BMWVIFQLBPJQBV-UHFFFAOYSA-N 454.526 6.255 30 20 JKED CCCNC(=O)c1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 502122191 IEQQDMKSQZNIAC-HSZRJFAPSA-N 460.965 5.457 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C)n1CCc1ccccc1 502817514 KPHRBMKDENSAAA-UHFFFAOYSA-N 488.385 5.180 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1[N+](=O)[O-] 505412767 CKFRNJRCDCPHRB-UHFFFAOYSA-N 475.549 5.069 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 508287302 KIJOATGPGBXZIQ-XMMPIXPASA-N 475.520 5.711 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](c3ccccc3)c3nccs3)s2)cc1 509260263 MXDPGGPLXXLRBM-QGZVFWFLSA-N 464.601 5.070 30 20 JKED CCSc1ccc([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 509260510 QVALKUMFEFFVCB-AWEZNQCLSA-N 455.634 5.697 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)cc1C 509574083 ILOVOFPGGDDYMK-UHFFFAOYSA-N 463.559 5.015 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccnc2OCC(F)(F)F)cc1Cl 510043907 KMMIZUSGAMVZKT-IBGZPJMESA-N 474.870 5.653 30 20 JKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1nc2ccccc2n1C(F)F 510247345 WVZLZNBFNIUAEG-GFCCVEGCSA-N 485.545 5.330 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 510692356 BLBKNUWNJWVUKZ-UHFFFAOYSA-N 461.484 5.234 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511528080 CGDFCPLMQCDVDU-UHFFFAOYSA-N 452.436 5.493 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 512324583 RMPOAVVABQGOSO-UHFFFAOYSA-N 477.545 6.466 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 513865962 MHIYSNVIUCHPSM-AREMUKBSSA-N 459.521 5.489 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1 515890178 ZYTNLFLGVWKVQP-FQEVSTJZSA-N 474.051 5.016 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3)n2)nnc1-c1ccc(OC)cc1 516343967 JNHXMMPWYPWTGF-UHFFFAOYSA-N 477.615 5.070 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)o1 516735674 RNVSEVPVIRSANF-HXOBKFHXSA-N 455.514 5.197 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)n1 516787958 NJAWCNCIVBBKSL-GOSISDBHSA-N 456.976 5.756 30 20 JKED O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 518116710 RSYQZROXSXRLJM-UHFFFAOYSA-N 484.734 6.148 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 518259467 MDVMBMSRVVVLOV-QFIPXVFZSA-N 482.588 5.639 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 518683571 YEAWKSJRZWLLFI-MGPUTAFESA-N 466.607 6.400 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccn(Cc4ccccc4)c3=O)s2)c(C(F)(F)F)c1 518759697 ZSGIHCXCIHEYHX-UHFFFAOYSA-N 494.498 5.087 30 20 JKED Cc1cc(COc2ccc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)cc2Br)no1 520041620 VJAMYMLZQXPHMT-UHFFFAOYSA-N 493.279 5.125 30 20 JKED C=CCN(C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 520195826 NKZQCCOECSVASD-GOSISDBHSA-N 488.571 5.066 30 20 JKED Cn1ccnc1COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 520356206 ILBOUZURQDWFDE-UHFFFAOYSA-N 454.555 5.415 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 521209817 MWISGMAJXNCPDH-SNVBAGLBSA-N 454.342 6.133 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 523380778 KJDYUUZBTCTRBL-URORMMCBSA-N 451.570 5.143 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cc2cccs2)c1 524185652 SLDSZHZLXQPTNL-KRWDZBQOSA-N 475.035 5.144 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 524565673 CRMWBZBYFAWCKN-MOPGFXCFSA-N 469.630 5.102 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2n[nH]c(C3CC3)c2Br)cc1Cl 560621740 DLLJNEFFGXXCLZ-INIZCTEOSA-N 455.743 5.611 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)nc1 590253471 VHHSQTDREHHJKK-UHFFFAOYSA-N 489.322 5.902 30 20 JKED C=CCN(C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 596254476 GAYFMHLYUDXXJO-OAHLLOKOSA-N 499.522 5.586 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)c1 597554406 IRPRHWDOMJQOSZ-FQEVSTJZSA-N 459.619 5.248 30 20 JKED Cc1nc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)sc1SCC#N 603775563 SWSGSGMRWXQVNT-JQIJEIRASA-N 472.595 6.338 30 20 JKED C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 604044284 CQIDHKMZCAOTEN-KOSHJBKYSA-N 476.964 5.794 30 20 JKED Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2)nc1 604089546 DFBZXSYGYPZIJB-IBGZPJMESA-N 489.963 5.590 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 604244431 QQVLZCDHDBRKHB-OAQYLSRUSA-N 477.630 5.142 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1 604310335 BNPPINRVLAJVKJ-XMMPIXPASA-N 476.605 5.595 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)c1 608918807 XRQNSWDTHLUYDA-UHFFFAOYSA-N 455.562 5.631 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc(OC)c1OC 609006982 ZXZFZLNPQGIEOT-HNNXBMFYSA-N 465.556 5.045 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCCCC[C@@H]3c3ccncc3)cc2Cl)c1 609088029 PCZRYLXURMTTLT-XMMPIXPASA-N 488.975 5.268 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 609376929 LYSPREAMWCNMSK-IBGZPJMESA-N 469.610 6.667 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1 609439737 MXUWYOBSDRSRGH-IAGOWNOFSA-N 478.643 5.637 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1ccc2ccccc2n1 613292232 DFIRWNAACSTANM-FQEVSTJZSA-N 471.358 5.552 30 20 JKED N#C[C@@H](C(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 613319996 PQSWJHGGESIJCB-IBGZPJMESA-N 486.018 5.128 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 613403317 FNVFALNFFDRBMI-HNNXBMFYSA-N 450.470 5.260 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403349 CPPFFBCOMVFWEM-OAHLLOKOSA-N 457.502 6.161 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613404466 NWCMFIFXYLSGDS-OAHLLOKOSA-N 455.417 5.650 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ccccc2)c1C(F)(F)F 642157221 FDEQBYJERZFBOI-GDNZZTSVSA-N 473.339 5.530 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(=O)c1ccc(F)cc1 642175505 KTXNUSJSHPBSOJ-FOLVSLTJSA-N 461.377 5.696 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cscn1 642281729 FPZVRWIIOUVNEJ-GOSISDBHSA-N 481.986 5.998 30 20 JKED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N(CC2CCC2)C1=O)Nc1cccc(Cl)c1Cl 726108185 KBRQAFOKHUGGJX-ZCVHIRLZSA-N 491.444 5.060 30 20 JKED CCC[C@@H](C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 726532257 CKGXRFBISMUNAH-NRFANRHFSA-N 482.005 5.158 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Oc3ccccc3)cc2)cc1 726571321 SJPZQVBZJRDXMZ-UHFFFAOYSA-O 499.015 6.923 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2cccc(CO)c2)cc1Cl 726571363 VGZWDJJXPXVUGX-UHFFFAOYSA-O 477.009 5.194 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1=S 726593117 YWVOKIPPEXTKPZ-GOSISDBHSA-N 494.571 5.432 30 20 JKED CCOc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC(F)F 726626473 HDDARKCZYVYSTH-IUXPMGMMSA-N 466.918 5.618 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1Cl 726657668 YQXOZPVAJNQTHN-UHFFFAOYSA-N 466.902 5.394 30 20 JKED CCOC(=O)C1C/C(=C\c2ccc(-n3cccn3)cc2)C(=O)/C(=C/c2ccc(-n3cccn3)cc2)C1 727973872 AXKPEUUYSRTGST-GJHDBBOXSA-N 478.552 5.067 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1nccn1CC(F)(F)F 728699107 RRNARHBORARWAY-SREVYHEPSA-N 456.287 5.536 30 20 JKED N#C[C@@H](C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 729187326 ZXWRDKBDRQTUDA-GOEBONIOSA-N 495.935 5.360 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ncccc2C)cc1C 729632196 YXRUZYSDVHXNJI-XMMPIXPASA-N 483.597 5.039 30 20 JKED O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1c[nH]c2cc(Br)ccc12 730436238 HHQMGZFSOPMXHP-YVMONPNESA-N 462.347 5.211 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2cocn2)C1=O 730709522 UONHCURWNLNCIC-NRFANRHFSA-N 498.992 5.114 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccccc1F 730710904 UWVCVNPGNSJVNE-GOSISDBHSA-N 493.347 5.281 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1C 731309545 XDUYDERHZIKIDM-XMMPIXPASA-N 495.645 5.319 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1Cl 746415381 AQYNRNQCCRDELH-QGZVFWFLSA-N 453.951 5.359 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCOC(C)(C)C)C2=O)c1 746696887 WWVVSEBBVZUOCQ-QFIPXVFZSA-N 467.635 5.387 30 20 JKED CCOc1ccc(OCc2nn(CN3CCC(C#N)CC3)c(=S)n2-c2ccc(Cl)cc2)cc1 747078813 GDHIRTYUQGFDMI-UHFFFAOYSA-N 484.025 5.227 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccccc1 747602043 YEUMKGNMRMITNN-SFHVURJKSA-N 474.970 5.096 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 748605781 WASGVMHJCJGHQL-UHFFFAOYSA-N 496.639 5.770 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)ccc1Cl 749380901 CXJZGPVRKIEKKD-UHFFFAOYSA-N 492.988 5.364 30 20 JKED CCOc1cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)cc(Br)c1OC(F)F 750919659 NVJDZJRFCJTKEU-UHFFFAOYSA-N 489.272 5.233 30 20 JKED Cc1csc(SCc2c(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)oc3ccccc23)n1 771753191 LPBXINPYBMOUEQ-QFIPXVFZSA-N 488.638 5.513 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)cc1 837546457 HHRAWMMNUUXVDR-JPYJTQIMSA-N 474.586 5.202 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccs3)C2=O)c1 837875024 MSGGPNFBZXTFQQ-JOCHJYFZSA-N 495.626 5.234 30 20 JKED CC(C)Cn1cc([C@@H]2N(C(=O)c3ccccc3-c3ccccc3C#N)CC23CCOCC3)cn1 849528339 NXFDPWCUUAFWHW-SANMLTNESA-N 454.574 5.072 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)c2C#N)C1 875462521 KKDKXTXQBYIPII-LBPRGKRZSA-N 451.013 5.080 30 20 JKED C=CCn1c(SCc2nc(Cc3cccs3)no2)nnc1-c1ccc(Cl)cc1Cl 904343735 AAZOYNPBNNEOGY-UHFFFAOYSA-N 464.403 5.766 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 912630296 ZRPASBKIFIXYKO-UHFFFAOYSA-N 468.534 5.270 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)Nc1ccc(Cl)cc1 912822348 GHOXIWMBTUKKOG-UHFFFAOYSA-O 495.068 6.310 30 20 JKED CCCCCCc1ccc(-c2csc(NC(=O)c3cc(C#N)c(SC)nc3O)n2)cc1 913660732 DPGVKBDFPMIFKI-UHFFFAOYSA-N 452.605 5.879 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 914692059 UCVMKLQRIDNORP-YCRPNKLZSA-N 469.513 5.149 30 20 JKED CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3Br)s2)cs1 914702484 HSYXWQCLPZVMPJ-HJWRWDBZSA-N 461.406 5.903 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104691 JEGDSIXAEYJTEW-AEFFLSMTSA-N 487.503 5.195 30 20 JKED Cc1ccc(C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)cc1NC(=O)c1ccccc1F 915514969 JWYXKLZJAFAMLA-UHFFFAOYSA-N 468.488 5.109 30 20 JKED CC(=O)N(c1nc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cs1)c1ccc(F)cc1F 915976128 PMTQVTAZYWDBEF-UHFFFAOYSA-N 451.842 5.114 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(CC)c(C)s2)c1 916081942 ZYMCTVUNUIZLLG-UHFFFAOYSA-N 476.023 5.301 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc(Cl)c1O 916127858 LXOLBGFLRLJRCZ-JYRVWZFOSA-N 451.906 5.358 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccc3)C2=O)cc1 916209520 MBCQEJZQNBBGOD-HSZRJFAPSA-N 475.545 5.189 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(C)c1 916215127 DDABYROKSCSQFF-HXUWFJFHSA-N 493.551 5.319 30 20 JKED CC(=O)C1=C(c2ccc(Br)cc2)N(CCCCCC(=O)O)C(=O)N[C@H]1c1ccsc1 916724440 WNZZXHAGXJMVLW-FQEVSTJZSA-N 491.407 5.222 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1CC2 916901395 HAWMCMJULKVXMD-KRWDZBQOSA-N 450.947 5.445 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 916910829 CDYMGZXZWLWNEE-HXUWFJFHSA-N 476.920 5.384 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1OC 916935844 WUXJAZXVTXSAIE-SFHVURJKSA-N 494.960 5.027 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 916955402 QHDGAJPNISIQDW-VGOFRKELSA-N 461.949 5.025 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 917039884 GVBQJJNWHKDDKT-GJBLVYBDSA-N 473.323 6.359 30 20 JKED Cc1nnc(SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1Cc1ccccc1 917043737 OEAYSTXMUFLBGK-INIZCTEOSA-N 487.532 5.232 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2n1C(F)F 917045684 ZTOCDZHIKNZORP-GCJKJVERSA-N 496.311 6.190 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)[C@H](C#N)c4nc5cc(Cl)ccc5s4)nc(O)c23)C1 917045966 DSOJXXQUZVFBOQ-FZMZJTMJSA-N 483.018 5.594 30 20 JKED CCCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1OC 917560510 OXJWKIODDBYCRU-XFXZXTDPSA-N 485.005 6.565 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1cc(Cl)ccc1Cl 917614012 WRCMSOYROHHXIZ-UHFFFAOYSA-O 455.390 6.038 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 917636039 OFHWFMDXSWTWGN-KRWDZBQOSA-N 468.793 5.383 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 917689317 WSHGBGWVZHKUJU-PNHLSOANSA-N 479.627 5.044 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1C#N 917702820 VPOPPPXXACQIFN-GOSISDBHSA-N 474.558 5.243 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccccn2)C1=O 917712158 FNFGMYFWCRGARG-XMMPIXPASA-N 488.613 5.374 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 917751973 PWBJVTFCVQRITL-CQSZACIVSA-N 450.391 5.133 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918543998 ALHSLPKULAXYIC-UMNLNUJHSA-N 499.662 5.114 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1ccccc1OCC#N 919809016 VVLFGSSRENRWSS-UHFFFAOYSA-N 456.933 5.367 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3c(ccc(Cl)c3Cl)C2=O)cs1 920066212 LWJSRNJXDABKFX-WQLSENKSSA-N 463.317 5.932 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)Nc1cccc2ccccc12 920109409 FMJJJBBUTRIHAO-DEOSSOPVSA-N 487.515 5.728 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(NC(=O)c4cc5ccccc5o4)cc3)n2)cc1 920111359 UKOVZJZTCCAIJD-HSZRJFAPSA-N 491.572 6.536 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 920140649 GBHXTBMYQPWYJP-IBGZPJMESA-N 473.945 5.584 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2c(C)noc2C)C1=O 920356859 VSNKYYRMUJUTRJ-HSZRJFAPSA-N 492.601 5.241 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nnc1[C@H]1COc2ccccc2O1 921163520 PUQPQCULCPAQBC-HSZRJFAPSA-N 492.601 5.148 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccc(F)cc2)c1 921164592 MXBJZCSWCHANCS-UHFFFAOYSA-N 490.906 5.051 30 20 JKED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)C2)C1 1780170964 OWRBVKICKRWNHE-SIBVEZHUSA-N 492.582 5.409 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)C[C@@H]21 1783541228 OJJWIBBCUBZSLJ-GVUKDKGQSA-N 478.608 5.078 30 20 JKED CN(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)c2ccccc12 1785934829 DGXWQRZAXARIHB-UHFFFAOYSA-N 454.574 5.203 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CN(Cc3ccccc3)C(=O)OC)CCC2)cc1 1786104384 QMDOBVDLWMMSLS-UHFFFAOYSA-N 489.616 5.158 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3=CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786284122 IZCRSWKLDZMOQG-QHCPKHFHSA-N 479.621 5.066 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)CCC1 1786289158 GXXMRFPBEVMWJB-RBUKOAKNSA-N 453.608 5.102 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)CCC2)cc1 1786679095 CACTWFXESVEBMS-UHFFFAOYSA-N 495.645 5.701 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cncn3-c3ccncc3)cc2)CCC1 1787154117 XFACVHNMFKDXQW-UHFFFAOYSA-N 499.691 5.066 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C(F)(F)F)cn3)cc2)CCC1 1788389402 QLRLGPLAGXLEAJ-UHFFFAOYSA-N 460.500 5.236 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cnccc3C)cc2)CCC1)c1ccc(O)cc1 1788821938 UNLLTZYSIKLUJZ-JOCHJYFZSA-N 467.569 5.041 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1 1789256746 ZBSDCKRVTISDRF-AFUMVMLFSA-N 463.584 5.423 30 20 JKED CCc1nn(C)c(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c1Cl 1789507705 NIUMSOXDCYRPTQ-UHFFFAOYSA-N 499.131 5.435 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3ccc(C4(NC(=O)CC#N)CCC4)cc3)ccc21 1790086523 ZERKHQOLRVEKMO-UHFFFAOYSA-N 450.542 5.476 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)no3)cc2)CCC1 1790161112 LENRWMGLNPKELU-FQEVSTJZSA-N 496.608 5.015 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CCC1 1790226439 IDZFXPBFWMACNX-JVWAILMASA-N 473.404 5.213 30 20 JKED COc1cc(Cl)ccc1CC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790290481 OKYGJVJFSRITEG-UHFFFAOYSA-N 473.960 5.211 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CCC2)cc1 1790564263 UTZQJXANLJBQES-MAODMQOUSA-N 469.532 5.003 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5cccnc5)cc4)cc3)CCC2)cc1 1790590527 ALFCLHSAONJNLU-UHFFFAOYSA-N 486.575 5.876 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790953908 FUTCGDDDOWBZJN-INIZCTEOSA-N 451.954 5.160 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3CCC(NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791584550 GTEQEGXJBSMTCS-UHFFFAOYSA-N 481.637 5.008 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204297 WDDUDMXAAZASIA-OAQYLSRUSA-N 471.642 5.416 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)C2 1798340182 PNTBUXSWONAHER-MHORFTMASA-N 454.920 5.379 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800010926 OIMLPDZFLZGOHR-UVPIGPOJSA-N 454.014 5.092 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cccc(Br)c2n1 1800915213 FJFZUNMUQXBDAI-IYWMVGAKSA-N 482.422 5.018 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)[C@H]2c2cccnc2)C1 1802412331 KREJNSSBLBGXAT-CUBQBAPOSA-N 465.597 5.343 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@H]1c1cccnc1 1803088114 HHLXYNLQKWEROK-RDGATRHJSA-N 463.647 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCC(=O)OC 1804451327 ZXHYMXBHRHWPEK-ZFFYZDHPSA-N 474.686 5.467 30 20 JKED Cc1ccc2cc(C(=O)N3CCC4(CCCN(C(=O)CCc5ccc(C#N)cc5)C4)CC3)sc2c1 1804762931 QKNLDJGALUDDON-UHFFFAOYSA-N 485.653 5.559 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC2)C1 1804866077 ODWMSMPSIYRQOT-QFIPXVFZSA-N 491.717 5.007 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)C1 1805459223 FQXQGPHRWUWSAU-UHFFFAOYSA-N 465.613 5.239 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)CCCc4ccccc4F)C3)CC2)c(Cl)c1 1805498154 XPACVEHSBBHXIF-UHFFFAOYSA-N 481.999 5.218 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809209832 OJLQIZFZDGAZQS-DQLDELGASA-N 488.078 5.224 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1809302633 MXGAHOCYQFVSOK-VPUSJEBWSA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1810171649 FLWUYCJJTZXIFB-JQYIIUTOSA-N 466.025 5.142 30 20 JKED CC1(C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CCCCC1 1811874200 YGBZOTJYRJVZRI-OFNKIYASSA-N 498.549 5.262 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1 1812808303 GOVGZCBOEODTDZ-AZGAKELHSA-N 460.622 5.269 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)CC1 1812897884 AZPJUMPTMBKVEE-MWLAQPAQSA-N 478.036 5.009 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1813240276 CBKJEHVCJDDMHD-XCZPVHLTSA-N 459.634 5.105 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1813830046 HIMJWOYOFDVMAL-NFBKMPQASA-N 454.014 5.355 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1813869605 LBTKCJLICOAQKF-UOSZZINLSA-N 472.633 5.245 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cn1 1814351144 RTHUCRGMPKXKGO-OAQYLSRUSA-N 490.995 5.247 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)c1 1814739224 OIGJKORDECJXMT-XMMPIXPASA-N 490.007 5.192 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(Cn3ccnc3)cc2)n[nH]1 1815799929 OGAUPPUAPYTMIS-BOMYWPOKSA-N 498.631 5.128 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2C(F)(F)F)n[nH]1 1818284247 PKIGLPWHQLTTAF-SFHVURJKSA-N 463.504 5.122 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1)c1ccccc1 1819190495 PTXPKBIQHSRPKI-XXBNENTESA-N 485.613 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)[nH]n1 1819304028 XEBBDRXMZZMJNO-CRAIPNDOSA-N 464.488 5.404 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1 1820483857 IZLYGBVNCDEZEB-RUZDIDTESA-N 490.567 5.272 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)[nH]n2)c1 1820484929 UTOCENIRIQQCSR-RUZDIDTESA-N 491.551 5.693 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)n[nH]1 1820964790 RQEAXLFUWCNGDX-IGQYLQMFSA-N 487.604 5.374 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 1821086390 JXXQBRNIQHBXTR-INIZCTEOSA-N 474.405 5.085 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)n[nH]1 1821095646 BIYKECOIFMEDFP-MRXNPFEDSA-N 485.304 5.073 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)[nH]n2)cc1 1821146142 PYTAMDKGKCKBLK-XMMPIXPASA-N 485.588 5.007 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c(F)c1 1821328295 JZMRFAIBWAVIPI-DEOSSOPVSA-N 489.551 5.022 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)[nH]n1 1821923933 SMKNKZYRIRVASY-HGIQPGCESA-N 474.605 5.329 30 20 JKED C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccccc1 1822041979 TVDXMMPURORFLI-AVHDXFAHSA-N 476.602 5.096 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)n[nH]2)c1Cl 1822327515 OOAAFZGEUGISAQ-KCZVDYSFSA-N 473.964 5.044 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)c2[nH]1 1823215394 QPWWDLOXJSMUIU-MZNJEOGPSA-N 480.572 5.446 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1 1823289671 JFMDICUMWBPLTD-QGZVFWFLSA-N 470.442 5.254 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)cc1Cl 1823887872 QIVQGOGLFAMMLH-NRFANRHFSA-N 494.463 5.564 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccccc2C#N)CC1)c1ccc(Cl)cc1 1823975152 KBSAZSXHXBCSKE-CPJSRVTESA-N 494.035 5.014 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)c1 1824236522 OKIGDVPRLLJRQQ-XFAFFCHDSA-N 491.582 5.182 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1824538970 UTEZFMIYWNWXPG-FPOVZHCZSA-N 462.656 5.228 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)CC2)c1Cl 1824645312 DIUMWBBZAVOSMS-SFTDATJTSA-N 477.983 5.270 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1824961636 UFIBQHGJYWWQHR-AREMUKBSSA-N 479.690 5.247 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1825468412 HUSKZVVQMWOYGX-RBBKRZOGSA-N 493.570 5.024 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)c2O1 1827516506 XDMSQWFNYQSKDZ-HHHXNRCGSA-N 499.655 5.138 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1)c1cccs1 1827683522 ANELATJOSNYUGJ-DGSRBQDKSA-N 476.598 5.167 30 20 JKED Cc1cc2[nH]c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)cc2s1 1827699528 AALQOJUBPICPNL-SUMWQHHRSA-N 489.626 5.161 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)c1 1827793859 YLPCSJIDTFUVDS-HHHXNRCGSA-N 478.596 5.167 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4ccc(Br)cc34)CC2)C1 1828221916 SZZGDDWRDPPACD-HSZRJFAPSA-N 484.438 5.130 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828320754 WWHLNQBGQISCNG-LJQANCHMSA-N 458.027 5.338 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1)c1ccccc1 1829031319 YJIOSENPGKEWIG-AHWVRZQESA-N 493.598 5.450 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829496312 QPLXQHCAWKKMLG-HHHXNRCGSA-N 457.618 5.176 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829610255 ZANNNDXWFJCURS-XMMPIXPASA-N 487.648 5.008 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)cc1 1830016595 JQZFXMYAAGASLF-SANMLTNESA-N 487.003 5.307 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1830417635 FVRSTAJROBQGDT-CPJSRVTESA-N 489.616 5.620 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1830718666 KDIHBAACYQBQLM-HXUWFJFHSA-N 481.618 5.521 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)cc1 1830911731 IXYDFPJWSWFWTC-RUZDIDTESA-N 455.558 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nscc23)CC1 1830970624 ATYVAVNYQIYNGN-HYBUGGRVSA-N 451.636 5.298 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 1831378447 YQSOVODDEOJWHM-VFNWGFHPSA-N 483.397 5.173 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1)C(F)(F)F 1831450616 DWGLJRNMAHGZRV-JOCHJYFZSA-N 471.523 5.100 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC(F)(F)F)CC2)c1 1832629875 WPKHAGWDCXYNTN-GCJKJVERSA-N 463.544 5.280 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)Cc3ccco3)CC2)cc1C#N 1832704924 ZDHKRILMZDBPKN-QFQXNSOFSA-N 491.632 5.051 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1838691633 UBCBEHXISVOWGJ-UHFFFAOYSA-N 479.448 5.108 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc3c(Br)cccc3c1)C2 1844202569 OXUWNLYXAVNVAY-HXUWFJFHSA-N 467.407 5.188 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)C1 1844626002 XZUAAQJPERUZNO-UHFFFAOYSA-N 455.602 5.416 30 20 JKED O=C(C1CCC(C(F)(F)F)CC1)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2F)C1 1846881144 JDVOBRNCBIOSBG-UHFFFAOYSA-N 480.424 5.030 30 20 JKED CCCCCCCOc1cc2c(cc1/C(C)=C/c1ccc(C(=O)O)cc1)C(C)(C)CCS2(=O)=O 1538323 JEIWQRITHXYGIF-LVZFUZTISA-N 484.658 6.750 30 20 JKED in-vitro C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)no2)nc2sc(-c3ccccc3)c(C)c2c1=O 11010149 KBGZMROAZQBCMJ-OAHLLOKOSA-N 466.588 5.035 30 20 JKED COc1cc(-c2nnc(SCc3cc(C#N)ccc3F)n2C2CCCCC2)cc(OC)c1OC 11020235 IXIYLTUIUOLLQX-UHFFFAOYSA-N 482.581 5.779 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(Cc2ccccc2)cc1 11153679 YHDZCZXXNAFPTP-UHFFFAOYSA-O 491.680 6.721 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 11252144 FNEYNCAZOYINDW-UHFFFAOYSA-O 489.661 6.116 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1cccc(CO)c1 11258552 BWGMQNGZGWDCOM-UHFFFAOYSA-O 454.015 5.603 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)ccc1Cl 12207852 YBAMRLHLIGVVGY-UHFFFAOYSA-N 481.021 5.512 30 20 JKED C=CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O 12722481 QQBIZUXMXPRBMQ-UHFFFAOYSA-N 483.518 5.071 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nc2ccccc2c1=O 15230998 QBCXNBXPARTDDO-DEOSSOPVSA-N 471.582 5.453 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 21366990 DJJYZGRZDZOMQR-XMMPIXPASA-N 492.551 5.793 30 20 JKED COc1ccc(-c2cc(/C(O)=N/c3nc(CN4C[C@H](C)O[C@H](C)C4)cs3)sc2C)cc1 22298315 RDJTUPSRIGUQCX-GASCZTMLSA-N 457.621 5.434 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)cc1 25439882 BRDAKWCIYCHREL-MHZLTWQESA-N 497.620 5.169 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1 32166203 UDWABTOTOKQSCP-UHFFFAOYSA-N 454.511 5.098 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1Cl 59000605 WGKIRPXCVXFQSH-UPVQGACJSA-N 459.933 5.365 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 195664193 VDKXCXPIYPGNGW-MRXNPFEDSA-N 453.976 6.337 30 20 JKED N#CCCN(CCC#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 207169234 ODGCYXDTOISFOM-UZYVYHOESA-N 496.542 5.064 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(NC(=O)CCCc4cccs4)c3)s2)cc1 302938284 HCRQCDSAWGXWJU-UHFFFAOYSA-N 486.622 5.881 30 20 JKED COc1cccc([C@@H](CNC(=O)CSc2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 303216551 TXOMGGNQJIHNTR-HSZRJFAPSA-N 471.582 5.097 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 409494658 QGCUEHHWBQXRPI-UHFFFAOYSA-N 474.374 5.225 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(-c2noc(C(F)(F)F)n2)cc1 409785149 QFFWCNRMAUBFOY-UHFFFAOYSA-N 465.281 5.211 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 409799379 WDJLYQATRDKQKY-SFHVURJKSA-N 495.626 5.357 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 409925549 QXDFNNLRZBFJRB-UHFFFAOYSA-N 478.430 5.767 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC(c2cccc3ccccc23)CC1 487614858 FAIAZGMRZZPLMR-UHFFFAOYSA-N 476.536 5.243 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 487977289 UBBMXYVDZTXMBH-UHFFFAOYSA-N 499.567 5.341 30 20 JKED N#Cc1c(F)cccc1N1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 489737636 IQYOQXGZEQWGCU-UHFFFAOYSA-N 475.376 5.019 30 20 JKED Cc1csc([C@H](C#N)C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)n1 499192473 OKZWFZNWVZEMJO-CYBMUJFWSA-N 450.873 5.288 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 502097946 HRAZCKNNWCSRNK-UHFFFAOYSA-N 474.479 6.379 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 504320845 JYVHZBKBVGZGFL-MRXNPFEDSA-N 465.648 5.849 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 506495192 KUICZAGLQKRWCY-VWLOTQADSA-N 473.598 5.130 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccnc2Oc2cccc(Br)c2)cc1 508143214 SFBZSYKDDQRRHQ-UHFFFAOYSA-N 492.373 5.703 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 508275791 QVOJSXAYOSWWRY-RUZDIDTESA-N 487.556 5.581 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3cnco3)cc2)nnc1-c1ccc(Cl)cc1Cl 511181443 HHVGABMHGLPCGM-UHFFFAOYSA-N 486.384 5.824 30 20 JKED N#CCSCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 512155820 VPUBNSMWIZHQLE-UHFFFAOYSA-N 458.406 5.363 30 20 JKED CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)s1 512590448 OAXHRLFPLHYISL-UHFFFAOYSA-N 488.594 5.211 30 20 JKED CCCC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C 513869857 QXMDPYCBOPLIQT-UHFFFAOYSA-N 458.537 5.979 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)n2)cc1 515283665 IXSRGMDZXRWEDA-UHFFFAOYSA-N 469.501 5.074 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)nc4cc(Br)ccc34)n2)cc1 516270139 NJOYTDSDOXIPPY-LJQANCHMSA-N 478.371 5.928 30 20 JKED N#C[C@@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1nc2ccccc2n1C(F)F 516795351 GHMWEEBHUMAYLJ-FQEVSTJZSA-N 453.452 5.774 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 517456239 HCABPQFCMVSWMJ-KRWDZBQOSA-N 475.664 6.972 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 517927273 RCMDMDAERVHVJB-UHFFFAOYSA-N 472.385 5.045 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1 519451254 WHMVEEALXQDBOU-SJLPKXTDSA-N 450.633 6.561 30 20 JKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cc(F)ccc1N1CCN(C)CC1 520601368 OXWFNMOCLPKKMA-LJQANCHMSA-N 473.552 5.124 30 20 JKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 521209094 QMRHOCHKKMWBTR-HSZRJFAPSA-N 463.965 6.067 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)cc1Cl 521543799 XBPFGEOAEIBXHN-ILBGXUMGSA-N 457.961 5.592 30 20 JKED N#Cc1cccc(COc2cccc(CNC3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2)c1 521816367 XRRNOYRGQSJTQA-UHFFFAOYSA-N 466.507 5.310 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 522448903 ZPZZVOUBQFZNEO-AREMUKBSSA-N 491.547 5.398 30 20 JKED CCc1c(C)sc(NC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)c1C#N 524330474 NBFGQANSXDONEB-UHFFFAOYSA-N 479.583 5.202 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2CN2CCCCC2)nnc1-c1ccc(Cl)cc1Cl 524340825 YXWXELGYANLWME-SFHVURJKSA-N 494.492 5.007 30 20 JKED C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(NC(=O)Cc2ccccc2F)c1 524436642 DFHHPCXRBZJKRZ-OAHLLOKOSA-N 482.462 5.363 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 524440213 AFWZWQGTSXMPGR-UHFFFAOYSA-N 460.553 5.181 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 553649199 UXQUCUAYPSIESR-LJQANCHMSA-N 490.995 5.445 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(OC4CCCCC4)CC3)cc2Cl)c1 556504901 ZHACJUNIGWABOT-UHFFFAOYSA-N 467.997 6.136 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(C4CC4)n3Cc3ccccc3)c2C#N)C1 589940242 DDTBUKYKAXZRAI-INIZCTEOSA-N 477.659 5.383 30 20 JKED O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F 590792160 KFSVGZMBACDEFJ-MBTKJCJQSA-N 461.321 5.032 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)s2)cc1OC 603623426 JGENGIFXPLOCCR-UHFFFAOYSA-N 472.526 5.447 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 603967896 BZUZQKMDMBTGSE-OAQYLSRUSA-N 465.578 5.931 30 20 JKED N#CCCCOc1cccc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)c1 603972283 FKJFXWFFRGQBOJ-UHFFFAOYSA-N 492.373 5.565 30 20 JKED CC(C)(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604444688 VEGGNTSDSYEEET-UHFFFAOYSA-N 477.948 5.436 30 20 JKED COCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)sc2cccc(F)c12 609103899 HNPVJAIZWNOLMG-UHFFFAOYSA-N 464.493 6.029 30 20 JKED N#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 609172311 XJAUFWSETCNWMB-HHHXNRCGSA-N 497.576 5.061 30 20 JKED N#Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c(F)c1 609252412 MJESOLCOEKOVSR-UHFFFAOYSA-N 462.912 5.152 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 609381511 NHLANLDUCVFEPB-HSZRJFAPSA-N 469.545 5.258 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1 609421590 QRVWIPWHOLFEBS-NRFANRHFSA-N 476.577 5.170 30 20 JKED CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433791 GYFVIJSDMSSFKV-IBGZPJMESA-N 485.462 5.273 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 609435133 RGLDKQFOENOLJU-KRWDZBQOSA-N 475.456 5.439 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 609439303 LAVPRCQCDXQDFW-OAHLLOKOSA-N 490.398 5.136 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc12 613401831 OVNHVHCYRJDQHP-INIZCTEOSA-N 495.942 6.343 30 20 JKED N#C[C@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc2cc(C(F)(F)F)ccc2s1 613403860 HEHLGOCKLVGBTA-OAHLLOKOSA-N 463.444 5.515 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 613906609 VASYUFJLZOAJBJ-HXUWFJFHSA-N 491.419 6.033 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccnc2)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 614918766 DWNAKADGTFZCMJ-UHFFFAOYSA-N 493.995 5.644 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3CSc3nc4ccccc4[nH]3)CC2)cc1 619221353 HCHKKOXJHAFPJE-UHFFFAOYSA-N 481.625 5.075 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\CCc1ccccn1 726113590 ZEGGDLFIZGKFKG-PPFHAMGKSA-N 479.433 5.060 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726405258 CYKQXIDZFBWVQG-ZHRRBRCNSA-N 499.036 5.071 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726407244 PZJDWWCZQTWALB-OPAMFIHVSA-N 492.988 5.396 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C#N)c(Cl)c1 726407673 UVCNYMFPADPWSO-LJQANCHMSA-N 476.936 5.250 30 20 JKED Cc1cc(C)n(-c2nnc(S)n2N=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 727062159 VAISGNYOPPBNKV-UHFFFAOYSA-N 473.389 5.137 30 20 JKED CCc1c(C)sc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c1C#N 727790768 QXFZBQQMUNVBKE-UHFFFAOYSA-N 486.018 5.148 30 20 JKED C=CCn1c(SCC(=O)OCc2nc3c(F)cccc3n2CC)nnc1-c1ccc(Cl)cc1 728613112 RCYPSIDZLPSEDK-UHFFFAOYSA-N 485.972 5.129 30 20 JKED Cc1nc(/C=C\c2ccc(O[C@H](C)C#N)cc2)sc1C(=O)/C=C\c1ccc(O[C@H](C)C#N)cc1 728698137 DVEHIZJWKSEKCN-GMPJUSGSSA-N 469.566 6.100 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\Cc1cccc(C(F)(F)F)c1 728780676 WPWKNQYTGSSVQS-RMWQGCJTSA-N 488.535 5.228 30 20 JKED CCCOc1c(Br)cc(C=Nn2c(S)nnc2-c2ccc(F)cc2)cc1OCC 730550055 TYSMOHTXUSWZMV-UHFFFAOYSA-N 479.375 5.205 30 20 JKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCCC2=O)cc1 730577890 DTULRWLTPPSGSB-AWNIVKPZSA-N 479.363 6.269 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730711258 CJEITIOUCANIAK-IBGZPJMESA-N 489.384 5.450 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ccc3[nH]c(C)c(C)c3c2)c1 730713299 RLAONLLMZWDEAI-HSZRJFAPSA-N 498.612 5.044 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O)Nc1ccc(F)c(Cl)c1 730716400 WQXXCOIGFHJFSL-GOSISDBHSA-N 493.347 5.281 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2Cc2cocn2)cc1 730720606 SAYQFFFTTVZNMK-NRFANRHFSA-N 498.992 5.060 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1cccc(Br)c1 730954766 KFHXAIKTINTUQZ-UHFFFAOYSA-N 460.344 6.283 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCCC[C@@H]3c3cc4ccccc4[nH]3)nc12 731027040 RJJLXDDVQBLUEX-HSZRJFAPSA-N 470.602 5.032 30 20 JKED COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c(F)c2)c(F)c1 731078739 SHSQRWXKESZVAT-MRXNPFEDSA-N 496.535 5.688 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2c[nH]c3ccccc23)c1 731308644 OVHNOZWBNMBIDK-RUZDIDTESA-N 498.608 5.385 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(C[C@@H]2CCCO2)C1=O 743524717 MCKGJQTYAXZIDS-FDDCHVKYSA-N 499.608 5.062 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccc2cccnc12 744993732 MGXKVWHODCZZHG-XMMPIXPASA-N 498.583 5.843 30 20 JKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)Nc1ccc(SC(F)F)cc1 747111605 GGWLAYUEUVRRGG-HNNXBMFYSA-N 479.555 5.299 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)c(C)c1 747598506 BRWYFFRDKSAJST-HXUWFJFHSA-N 486.569 5.199 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCN(c3ccc(C)cc3)CC2)cc1 750704569 GHTKJSDVASWERA-UHFFFAOYSA-N 456.546 5.412 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 751083049 GZTVICSLJMOEPP-HSZRJFAPSA-N 477.511 6.666 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)cc1C 752928954 LOLONKSOASCEGN-UHFFFAOYSA-N 495.052 5.177 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N([C@@H](C)c2ccccn2)C1=O 837447705 ABHRCNOHKAIOGH-YADARESESA-N 488.613 5.429 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)nnc1-c1ccco1 904403172 FVQVSQPWCDMUNF-UHFFFAOYSA-N 473.942 5.127 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl)[C@@H](C)c1ccc(C#N)cc1 914509572 QTZUTNXCUMOIJJ-INIZCTEOSA-N 485.968 5.375 30 20 JKED COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1OCc1cccnc1 915048701 USIQDEQORQFLIU-UHFFFAOYSA-N 486.384 5.405 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1nnc2n1CCCCC2 915100682 AZGHCLMVLLWGIM-OAQYLSRUSA-N 459.500 5.240 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)cc1 915104459 APJUZBZSLOVZRT-SJLPKXTDSA-N 471.504 5.352 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 916204262 BFYZZHSFFXNUMH-IBGZPJMESA-N 499.942 5.144 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(SC(F)F)cc1 916214507 NOSMKCLHDMYTIY-IBGZPJMESA-N 493.601 5.225 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C(F)(F)F)c1 916217369 LQIATVAMIUXURR-HXUWFJFHSA-N 493.551 5.319 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc2ccccc12 916919356 WZOZLMGFIDGIDR-LJQANCHMSA-N 478.335 6.082 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 916940230 WBGCLCAEBYJXQB-GOSISDBHSA-N 499.350 5.551 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(NC(=O)c2cccs2)c1 916945226 STAKRIDTOCDFFV-KRWDZBQOSA-N 458.326 5.268 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)n2)cc1 916972899 RGOLLCFJAOKIEP-ZJCBTPCYSA-N 477.586 5.025 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2cccnc2)n(-c2ccccc2C)c1=S 917485448 QJIGVUYXRUHAGO-UHFFFAOYSA-N 457.603 5.428 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2cccc(Cl)c2)cc1 917680000 ZNUGEGYDJORODM-QHCPKHFHSA-N 489.000 5.050 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccsc3)C2=O)c1 917681569 ABPJSWVSFZUWPB-QFIPXVFZSA-N 495.626 5.234 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cccc(C)n3)C2=O)cc1 917687960 YHBNWFZLGCLWQL-HSZRJFAPSA-N 476.577 5.306 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918545355 OZXFUTMXNFGRBR-XQJGLGPESA-N 482.606 5.251 30 20 JKED C=CCn1c(SC[C@H](O)c2ccccc2C(F)(F)F)nnc1-c1ccc(Br)cc1 918752272 XAWFAUWOVZWXLG-KRWDZBQOSA-N 484.341 5.738 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2cccc(CC#N)c2)cs1 919318144 MBVDRVYZHWAXFF-UHFFFAOYSA-N 459.449 5.270 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(C)o2)CC3(C)C)n[nH]1 919549212 CWAFMHKWOZGOMN-VURMDHGXSA-N 476.558 5.126 30 20 JKED N#CCOc1cccc(NC(=O)CC23C[C@@H]4C[C@H](C2)CC(C(=O)Nc2cccc(OCC#N)c2)(C4)C3)c1 919884610 TYUPGUQKASRZOL-QURFURGYSA-N 498.583 5.045 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1 920141232 NFUYIRZHLGPMMH-NRFANRHFSA-N 496.621 5.168 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3cccc(Br)c3)n2)cc1 920141757 QHNDJGJIOWIURX-IBGZPJMESA-N 466.360 5.480 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)SC2=Nc2ccccc2)s1 920175141 YWHYEJIJMFKUKQ-OAQYLSRUSA-N 493.610 5.224 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(C)C)c1 920359750 QYGCSMGSMFVKRJ-HSZRJFAPSA-N 476.602 5.575 30 20 JKED C[C@H](OC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12)C(=O)N(C)CCC#N 920706821 YDWVXLPCLDELND-KIUWMYQTSA-N 498.402 5.147 30 20 JKED COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 921264744 XZXGUCFZOXUBMY-UNOMPAQXSA-N 481.470 5.862 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1 928531942 HJCPGFVXHMOEKP-SFHVURJKSA-N 479.558 5.011 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)s1 1785796229 VCPCSLZFEXTFTA-UHFFFAOYSA-N 459.571 5.009 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc5sc(N)nc5c4)CCC3)cc2)cc1 1785796862 VYGRATAWJIFUDP-UHFFFAOYSA-N 495.608 5.131 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCC2)cc1 1785843033 PDDKTDABNFKUFA-NUNAXRQHSA-N 495.664 5.226 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5cn4)CCC3)cc2)c1 1786041478 JSJCBXYWDRYFRO-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C[C@H](C(=O)NC1(c2ccc(NC(=O)CC#N)cc2)CCC1)c1cccc(NC(=O)OC(C)(C)C)c1 1787647648 NOHOQASYZJQCTL-SFHVURJKSA-N 476.577 5.185 30 20 JKED C[C@@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)nc3C(F)(F)F)cc2)CCC1 1788358968 OFRHPTJHZKJDOA-INIZCTEOSA-N 496.489 5.192 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)cc2)CCC1 1788724345 CMFQZPKDNJPFAC-KRWDZBQOSA-N 477.527 5.427 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1789458005 JUEWKVHTAGFZAE-DHIUTWEWSA-N 493.648 5.146 30 20 JKED CCc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)nc3C(F)(F)F)CCC2)cc1 1790197934 BQWSLOBXIRNKEY-UHFFFAOYSA-N 499.518 5.052 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)cc1 1790255794 OGSVVFMIBYEPFG-UIOOFZCWSA-N 465.553 5.118 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2)CCC1 1791200027 HLQBLDZHVIWZLC-LFIBNONCSA-N 490.600 5.053 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3Cl)CCC2)cc1)C(F)(F)F 1791303277 QIAFHUCNOGNBHV-UHFFFAOYSA-N 466.887 5.144 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc4nc[nH]c4c3)CCC2)cc1)c1ccc(O)cc1 1791642784 SLVYYPWAXQCZSD-NRFANRHFSA-N 492.579 5.213 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4-c4ccccc4)CCC3)cc2)CCC1 1792231433 XGPGQLLJDHQSTM-UHFFFAOYSA-N 450.542 5.190 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ncccc13)C2 1792572898 PTTDPEJDJIJGQC-NUNAXRQHSA-N 482.628 5.541 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1ccc(Br)cc1)C2 1792573593 YZFGCPLXORBXDC-WKCHPHFGSA-N 491.470 5.239 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(CC(C)C)oc2ccc(OC)cc12 1796430156 OWDIUONFGOZXJB-BCDXTJNWSA-N 474.548 5.103 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2ccccc2c1 1796722308 YBHBFSPBFNRNSX-WKCHPHFGSA-N 467.407 5.048 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cc2sccc2[nH]1 1800504804 QJRXBFIHSCPJAX-BKFWDETESA-N 479.605 5.195 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)c(Cl)c4)CC2)C3)c1 1800766874 IKGJTHAYKJSZAM-WKCHPHFGSA-N 482.411 5.157 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1803088839 PREYEMBXQQXERZ-CVDCTZTESA-N 465.644 5.446 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1803089619 CJIKXUKAENVUTO-NVQXNPDNSA-N 489.019 5.371 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1803091993 IANXOVWMJIONAI-IGKIAQTJSA-N 491.607 5.098 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Br)cc3F)CC2)C1 1805451235 AMSDGHYRZPXPRQ-UHFFFAOYSA-N 477.418 5.201 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)C1 1805458430 KSNWNSIUQOPIKK-UHFFFAOYSA-N 466.025 5.501 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1810494273 CZLYVMHYCWGHBW-BVAGGSTKSA-N 486.616 5.357 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1812676423 UAUBSCHTMBUDHZ-LOSJGSFVSA-N 475.539 5.280 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813952759 CIGPHARJXPAXAM-ZNZIZOMTSA-N 473.642 5.023 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)[nH]n2)C1 1814397856 WZMOFXWTKSXWAC-DEOSSOPVSA-N 480.572 5.225 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814935886 VMXFQFLFTPXBPB-RKOYOZNISA-N 455.002 5.605 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnn(C(C)(C)C)c2Cl)n[nH]1 1816198195 QHYPEQCVDGXLKH-APWZRJJASA-N 473.021 5.089 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1818116082 UOYRZHMBAWIXAP-LQYUOIDQSA-N 496.639 5.492 30 20 JKED CC1=CC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)CC1 1818805580 NMBFBOGTAGJPNT-IFMALSPDSA-N 454.691 5.199 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4c(s3)CCCC4)n[nH]2)cc1 1819038478 HODURKFBDLJZCK-NRFANRHFSA-N 473.602 5.036 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)c2c1 1819059790 LAIORCAOHKSFNP-NSYGIPOTSA-N 496.571 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)[nH]n1 1819553527 KLAYDUMUBYWIOM-KRWDZBQOSA-N 463.504 5.122 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)ccc2[nH]1 1820220979 LBGLWLSCXWFKFE-QFIPXVFZSA-N 486.963 5.344 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820222611 AJJOVZYXUFKOEU-FQEVSTJZSA-N 465.916 5.002 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823307 IFTXPUUKHHLBBM-DYESRHJHSA-N 493.011 5.206 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)n[nH]1 1820950277 LRANDBBZDHPJTA-AZUAARDMSA-N 489.661 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821755986 GYQCEUBZBIXGBR-JTHBVZDNSA-N 486.060 5.351 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1821924254 YYWSRIZTGUKLMI-PZJWPPBQSA-N 474.646 5.296 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)[nH]n1 1822580241 WVYJSQYOZVSZCL-JOCHJYFZSA-N 462.594 5.013 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)cc12 1823215627 YKSUOOJJNOMDEY-CJAUYULYSA-N 480.572 5.446 30 20 JKED COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c(Cl)c1 1823247103 HABMFEKZOKPCRM-OAQYLSRUSA-N 498.370 5.216 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(OC)c2)n[nH]1 1823258648 HIFYQOCJBRZRBQ-TZIWHRDSSA-N 456.974 5.146 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823304146 NXINGQFWTHEHMX-KPZWWZAWSA-N 453.345 5.374 30 20 JKED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1ccccc1 1823494348 NNMJPEZXFQOCCS-KKSFZXQISA-N 461.953 5.044 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)C1 1823700224 JJTHZEVKSUKNNQ-OAQYLSRUSA-N 457.039 5.754 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1823752307 PECUCHLCZSTVFE-XMMPIXPASA-N 453.602 5.533 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1823885257 MBIKRKIOTZYSTK-RUZDIDTESA-N 483.616 5.013 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1824538806 SKIRJKHDMJEDGU-YHPQFSOISA-N 454.636 5.020 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1824540799 PAMQRTMSJOATEW-ZCYQVOJMSA-N 483.653 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1 1824642056 LDQNQNGBBYBOKD-ZONRAWCTSA-N 487.566 5.280 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3cccc4ccccc34)CC2)cc1 1824957032 MKFDHEIEVSZDSH-MUUNZHRXSA-N 495.623 5.218 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1)c1ccccc1 1827986964 PWVGWRPECAMTGH-PKTZIBPZSA-N 467.009 5.364 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1828151413 DDIWVQIQFNOSNR-XMMPIXPASA-N 489.616 5.388 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828319134 ASGDSCHMOVBDME-QFIPXVFZSA-N 489.081 5.771 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)cc12 1828577494 KYHXBJLTVMRPBJ-AREMUKBSSA-N 489.019 5.549 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1828825114 RDAFMBBVHJACAQ-VWNXMTODSA-N 497.083 5.552 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](C)Oc2ccccc2)CC1 1828830123 LNZVYFGBVBILKK-RCXJIHSJSA-N 452.639 5.232 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879288 GFRAUUAFFDJQPZ-MXTHXHGZSA-N 452.664 5.414 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1828884023 LKDWYSNHCLORKR-WIOPSUGQSA-N 499.051 5.406 30 20 JKED COc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1C 1828906939 QSFPDKLXUCUAGM-AREMUKBSSA-N 496.768 5.217 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(F)cc2)CC1)c1ccccc1 1829032545 KOOACUBJYUUECZ-WUFINQPMSA-N 490.619 5.021 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1829371501 QMUYHWGTOPAEPK-RUZDIDTESA-N 495.067 5.167 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1)C(F)(F)F 1830599551 LVKJHZARLFZHQQ-NRFANRHFSA-N 466.544 5.216 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)cc1 1830628539 KOLCXFIYQNELBC-ZKFXSTKWSA-N 475.677 5.592 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)CC1 1830753906 GULYIJUNYCDYQP-DHLKQENFSA-N 451.655 5.122 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2Cl)N(C)C)CC1 1831210583 QKMOKBGYZUQQLB-RCXJIHSJSA-N 486.100 5.331 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1832629089 ISTRSNNEURHRPQ-PJVOOKABSA-N 494.639 5.742 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3C(C)(C)C)CC2)c1 1832630043 FDPXYXASBAXYLA-QFQXNSOFSA-N 486.660 5.553 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cnccc34)CC2)c1 1832631539 FEGQLAHKHNUAQY-LYZGTLIUSA-N 480.612 5.409 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c1 1832632543 SRXMARQGVHJDOW-KBMIEXCESA-N 486.641 5.470 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1832827190 RJXCDGUSABRZRO-SFHVURJKSA-N 472.910 5.145 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)CC1 1835485997 JSSQZALEDBWJAN-DNRSQYFGSA-N 471.730 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc3cc(Br)ccc3c2)C1 1844008055 BKKDSHPSEDEEPP-JOCHJYFZSA-N 467.407 5.188 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(F)c(Cl)c1)C2 1844253489 MBYMSYPCFWNPQG-UHFFFAOYSA-N 469.460 5.001 30 20 JKED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc3c(Cl)cc(C)nc3c1)C2)c1ccccc1 1844335999 QOGLNOAQCQQVCO-QHCPKHFHSA-N 486.015 5.211 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc3ccccc3c2Br)C1 1845677564 WRBILBZGWMFUPH-IBGZPJMESA-N 467.407 5.188 30 20 JKED CCCCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nc2sc(C)c(C)c2c1=O 8646288 HUUXZZCJPXNKOJ-UHFFFAOYSA-N 461.012 5.131 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2C)nnc1-c1ccc(Cl)cc1Cl 9825656 WSXHGJKOIXNENP-OAHLLOKOSA-N 461.418 5.716 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1F 10170610 FZEBQFDPVWASOF-UHFFFAOYSA-O 459.541 5.894 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179096 CXAJACNTMMMTNH-UHFFFAOYSA-O 458.434 6.511 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 10403376 FTGCUKKBMKBYJQ-UHFFFAOYSA-N 492.354 5.393 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(Cl)cc1 10831689 MBSDWODVQHZEHL-UHFFFAOYSA-O 464.825 6.548 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(CO)c1)c1ccc(F)c(F)c1 11113290 PXJHBPPKVPPHNH-UHFFFAOYSA-O 481.516 5.110 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nc2sc3c(c2c1=O)CCC3 11150716 XGIWWEMEFJBOCN-MRXNPFEDSA-N 453.633 5.177 30 20 JKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(Cc2ccccc2)cc1 11165425 GGMLEAFDLMMOKI-UHFFFAOYSA-O 482.585 5.832 30 20 JKED CCCCSc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 17110865 DZZZFLPDJMPSDQ-GFCCVEGCSA-N 452.696 5.752 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccc(F)cc1 18962117 NDPSSRRUKWFARH-JOCHJYFZSA-N 482.581 5.469 30 20 JKED CC(C)c1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cs2)cc1 22390442 OSKHIAQYGYEIDF-HNNXBMFYSA-N 479.627 5.468 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1cc(F)ccc1F 22730496 QLGVSOWXGINIOC-UHFFFAOYSA-O 477.531 6.033 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccco1 23202090 GBJUHPVJCFQXRA-ZDUSSCGKSA-N 455.540 5.106 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nnc1-c1cccc(C)c1 23635034 AWSXRCVEHOEPQW-UHFFFAOYSA-N 464.616 5.873 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccc(Br)c2)o1 26338261 PBUYHLSPJXJLQF-ZDUSSCGKSA-N 464.410 5.256 30 20 JKED N#CCCN(Cc1ccco1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 29829449 RNFGOTHKJQNVLP-UHFFFAOYSA-N 477.977 5.215 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1 72050817 TZRRPFOIVGLXLP-SFHVURJKSA-N 472.536 5.848 30 20 JKED COc1cc([C@@H](C#N)NC(=O)CCN2c3ccccc3Sc3ccccc32)cc(OC)c1OC 110573611 QMEWRMCCCMLGTE-GOSISDBHSA-N 475.570 5.086 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc(-c2ccncc2)cs1 195662596 SGGJUGKGQICZRM-IRXDYDNUSA-N 485.396 5.241 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1 247997744 DKELLPYZHAXITL-UHFFFAOYSA-N 485.613 5.551 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1ccccn1 255598426 VWXKTLBYVOJSGU-QFIPXVFZSA-N 479.005 5.512 30 20 JKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 476421644 ZOJSFFRLRLOROG-UHFFFAOYSA-N 457.599 5.215 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)sc2c1-c1ccccc1CC2 490747627 SWPLJYIDIBLPFW-UHFFFAOYSA-N 482.030 5.591 30 20 JKED COc1ccc([C@@H]2Nc3cccc(C)c3C(=O)N2CCc2ccccc2)cc1OCCCC#N 493947119 ALQJAFNGDZQTKX-HHHXNRCGSA-N 455.558 5.495 30 20 JKED Cc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1NC(=O)c1ccccc1 501472301 DHZHVDAJNYPKLV-UHFFFAOYSA-N 475.548 6.145 30 20 JKED C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 507315998 STRQSXKOARJPLW-FGZHOGPDSA-N 485.653 5.390 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 508160652 SDDDOYMQULERLK-UHFFFAOYSA-N 495.373 5.688 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1sc2c(c1C#N)CCCCC2 510678690 BWHDRIZAFPWZKO-UHFFFAOYSA-N 470.019 6.417 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCCCC1 513677248 SYADCSHVTBBZHZ-IBGZPJMESA-N 463.628 5.670 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Br)s1 513686575 BNJQXURIHPBTHT-OAHLLOKOSA-N 499.411 6.198 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 513950433 QTFMPTLXKLFFBA-UHFFFAOYSA-N 456.521 5.168 30 20 JKED C=CCn1c(SC[C@H](O)COc2ccc(Cl)cc2Cl)nnc1-c1ccccc1F 514601763 YNZPZJPKKQMIGB-CQSZACIVSA-N 454.354 5.109 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CCC(C)C)Cc1ccc(Cl)c(Cl)c1 515507841 WUQRYQSLHHJONB-UHFFFAOYSA-N 472.420 5.532 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1F 515851165 UDEYHDVVWVBVQQ-NRFANRHFSA-N 474.923 6.064 30 20 JKED Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 516111160 ZGZYEYAXVGGOPP-UHFFFAOYSA-N 498.587 5.453 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1OC(F)F 516744075 YLOLXVYJELOGKF-INIZCTEOSA-N 465.456 5.076 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 516747408 WTNNLUPBOSFXJG-OAQYLSRUSA-N 468.538 5.262 30 20 JKED COc1ccc(CCC(=O)N2CCCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 518255592 GDYUZFVZJVCMET-UHFFFAOYSA-N 498.583 5.058 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCSc2c(F)cccc21 518598524 JNRHJFMJKPBLJK-QFIPXVFZSA-N 461.518 5.090 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 519011233 RHDPSCGJGLEZIE-IBGZPJMESA-N 454.530 5.669 30 20 JKED CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cc1 520827497 HMUOBTMMBOABBI-GOSISDBHSA-N 495.626 5.390 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc(-c2c(F)cccc2F)cs1 521260999 LGYMPLWWWQLYJN-SFHVURJKSA-N 477.467 5.970 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1 522450924 RVUBFGBZTBDXJQ-SBUREZEXSA-N 485.540 5.205 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 522482402 JUGUTOAWMJFRLD-RUZDIDTESA-N 461.521 5.773 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 523567018 ONMXPTHLKBRWSI-UHFFFAOYSA-N 488.385 5.479 30 20 JKED CN1CCN(C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc2)CC1 524367047 HTVDMRCJWLYEHL-AHKZPQOWSA-N 488.035 5.106 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 524565918 JOCHSDJEFLPNCG-AWEZNQCLSA-N 462.388 6.036 30 20 JKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)cc1OC 524566671 YCVYEMHILDFGSU-AUSIDOKSSA-N 475.614 6.061 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nnn1-c1ccc(-c2ccccc2)cc1 524582474 PWSCLACKECXHOU-HXUWFJFHSA-N 468.467 5.478 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC[C@H](O)COc1ccc(CC#N)cc1 582957539 XFNFMOUVMODFSJ-XMMPIXPASA-N 496.563 5.294 30 20 JKED C=CCc1cc(CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 589774925 OCTVAKWRDDGOED-OAQYLSRUSA-N 465.377 5.022 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)[C@@H]1c1ccc(OC)cc1 603600907 MEEYIZUEOWSCQX-IGKIAQTJSA-N 498.583 5.391 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OCc1cccnc1 603626865 GWUIHZPEUAAEOC-UHFFFAOYSA-N 466.497 5.371 30 20 JKED CCOC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1C 603838297 APOHEICPIKIHNY-HNNXBMFYSA-N 460.342 5.487 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(Br)cc2Cl)cc1 604003395 DBZNGMNVCUQJGP-UHFFFAOYSA-N 485.765 5.765 30 20 JKED N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 604071630 NQRSNBGXCOKHBT-HXUWFJFHSA-N 462.376 5.319 30 20 JKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)c1 604089498 BXCDUGSSSFRZQT-UHFFFAOYSA-N 476.964 6.032 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 604103123 SXUCXLTUSNNSDC-UHFFFAOYSA-N 496.596 5.302 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1Cl 604137803 RUAARROLJPUYSE-LJQANCHMSA-N 489.856 5.408 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(Oc4cccc(F)c4)nc3)cn2)cc1 604534794 XFWRNQSGWIDYMJ-UHFFFAOYSA-N 455.449 5.394 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 608785066 RWVFUDYPINBWSN-UHFFFAOYSA-N 477.499 5.991 30 20 JKED CS(=O)(=O)Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)oc2ccccc12 608805379 VCBXLOYQOJRUSR-FQEVSTJZSA-N 478.957 5.539 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] 608875189 LWKASKYMACRDCP-SFHVURJKSA-N 497.964 5.001 30 20 JKED C=C(C)COc1cccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)c1 608965723 BSJMCORCUIQWKJ-HXUWFJFHSA-N 467.418 5.439 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC3(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1 609005729 WAWDGAXQESQBJZ-UHFFFAOYSA-N 479.458 5.156 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 609151773 WLIIXFFBEDIZCL-UHFFFAOYSA-N 486.015 5.616 30 20 JKED Cc1cccc(COc2ccc(NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)c(C)c2)c1 609254280 NVIIUFAMRVQPQV-UHFFFAOYSA-N 494.599 5.276 30 20 JKED COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1ccccc1Cl 609430634 RJFRVDNWQOFYKC-QGZVFWFLSA-N 466.990 6.574 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NC3CCCCC3)s2)n(Cc2ccccc2)c1C 611147264 MEKDMWBCRSDUTL-UHFFFAOYSA-N 480.663 5.352 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1 613319855 NJWXUMCOJJCEAJ-KRWDZBQOSA-N 451.960 6.086 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 617895964 FHJPOVBWDDDRLV-HNNXBMFYSA-N 484.050 5.533 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N([C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726393416 OLPPFGXIUQUJMG-PZJWPPBQSA-N 493.551 5.179 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 726397222 HGRAROZWZPXDGT-NFBKMPQASA-N 467.635 5.306 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC(C)C)cc1 726416646 YMQRGEQVEJHDFN-NRFANRHFSA-N 488.009 5.282 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\[C@H](C)c1cccs1 726419421 FDXWLPMZAKDDDG-UKIVZVEXSA-N 493.654 5.485 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1nc(-c2ccccc2)cs1 728110711 QRMPJPOMNBRURB-INIZCTEOSA-N 473.510 5.038 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1 728181789 CKSKZVFFJLOYEO-UHFFFAOYSA-N 481.602 6.258 30 20 JKED Cc1cccc(-c2nnc(S)n2CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 728212689 YXYVLHATPMJHTK-UHFFFAOYSA-N 487.560 5.161 30 20 JKED O=C1/C(=C/c2cccnc2Cl)CC2(C/C1=C\c1cccnc1Cl)C(=O)Nc1ccccc12 728699903 ZJFGMBBQCJJGKG-JYFOCSDGSA-N 462.336 5.503 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCCCC#N)C1=O 728776432 BQFIBCIJBKJRMT-FQEVSTJZSA-N 488.972 5.142 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c(C)c1 728777726 NGSUFPXNNZFGCY-NRFANRHFSA-N 452.555 5.097 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 729146856 ZQAGOFYJMNYPJX-GOSISDBHSA-N 471.007 5.265 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cnccc2C)ccc1Cl 729403811 PFJOGTUTRLQQKP-UHFFFAOYSA-N 476.385 5.330 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cccc3ccccc23)cc1 729667347 DYHQYVGLDSBYIN-UHFFFAOYSA-O 473.574 5.510 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc3c(c2)CCC3)s1 730727746 UVSACTJMGHXMIJ-IIBYNOLFSA-N 491.642 5.057 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/[C@@H](C)c1cccs1 730730017 RYLSDIBIGVLVLR-NPZOQVBQSA-N 493.658 5.325 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 731114017 CAMKRMRIDRXMOA-SFHLNBCPSA-N 472.655 5.582 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1cccs1 731310638 MIJXXYCASIAGAN-JTSKRJEESA-N 479.627 5.354 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 731400006 KDCJNYYAROZKQD-VQIMIIECSA-N 458.425 6.082 30 20 JKED COc1cc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)ccc1OCC(=O)Nc1ccccc1Cl 746348470 PLWLELJKNMSSFE-QBFSEMIESA-N 487.943 5.448 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCCOC2CCCC2)C1=O)Nc1ccccc1 747044702 WFXVTHXSRUWYIZ-JOCHJYFZSA-N 469.582 5.135 30 20 JKED CC[C@H](C)Oc1cc(C=Nn2c(S)nnc2-c2ccccc2Br)ccc1OC 749443931 LDKUQRCLIODBHD-ZDUSSCGKSA-N 461.385 5.064 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 751059437 FRUBVTOWTWYWRO-UHFFFAOYSA-N 452.841 5.511 30 20 JKED Fc1ccccc1COc1ccc(C=Nn2c(S)nnc2SCc2ccccc2)cc1 767184889 LMKKSXLIKLVESU-UHFFFAOYSA-N 450.564 5.459 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CC(F)(F)F)C1=O 799210902 FLLATHWCRMXRLG-SFHVURJKSA-N 499.942 5.488 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCC(=O)Nc1ccccc1SCC#N 800375760 CYHIDJLXCVDQEH-UHFFFAOYSA-N 481.577 5.550 30 20 JKED C[C@H](OC(=O)c1cc(-c2ccccn2)nc2ccccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 813389899 QGKWBYAJRYPBKR-HNNXBMFYSA-N 456.889 5.006 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)nc(O)c2C#N)cc1 824935963 PWJGFTAARRMQRN-NSHDSACASA-N 475.357 5.156 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1OC 838494477 JGYGDKGGZQAWPY-IBGZPJMESA-N 490.969 5.017 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H](C)c1ccccn1 838496186 ORSMUVOGGXKFIW-AOMKIAJQSA-N 495.004 5.465 30 20 JKED C#CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1 877849023 DQRKGRVTMZYXKI-DEOSSOPVSA-N 454.530 5.295 30 20 JKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 913367757 YMVBOKVTPDBANO-UHFFFAOYSA-N 450.560 5.675 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1C 914545420 IRPJLORNGJLOKM-JOCHJYFZSA-N 492.576 5.007 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 914547708 ZJVGOSPZZVJULO-RDPSFJRHSA-N 472.614 5.098 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnc1-c1ccccc1C 915087343 SLPXZHVHHGBGHY-XMMPIXPASA-N 467.598 5.660 30 20 JKED C[C@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103051 NNFZWIRIMDIZAS-GXFFZTMASA-N 450.372 5.173 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC 915600335 OLMXPFLLPNKYHM-KETLNSEPSA-N 456.542 5.403 30 20 JKED COc1cc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)ccc1OCC(=O)Nc1ccccc1Cl 915993748 YJBDCMOBKFQXAJ-WDZFZDKYSA-N 490.943 5.147 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccccc2)C=C1 916203027 PKAUYDVCOQZVBT-UHFFFAOYSA-O 474.389 5.865 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2ccccn2)cc1C 916217156 GPZZOJNIAPHDIY-QHCPKHFHSA-N 476.577 5.041 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)CC2)cc1 916695593 NHBALKPDOWLIDV-LJQANCHMSA-N 475.445 5.194 30 20 JKED N#C[C@@H](C(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1)c1ccc2ccccc2n1 916849551 XUYPVSLMKIVUFF-GJZUVCINSA-N 498.380 5.274 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc(N)nc(Nc2ccccc2)n1 916879575 GZXIEHIRFQINAZ-JOCHJYFZSA-N 491.530 5.294 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2c1C 916928230 WSGXUGIZIUKYAQ-GFCCVEGCSA-N 465.387 5.055 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916928977 ZOYJGEGNHXHUID-INIZCTEOSA-N 494.256 6.161 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1Cl 916939915 VEAWBNXJBZHUKR-HXUWFJFHSA-N 486.915 5.335 30 20 JKED Cc1oc(-c2ccccc2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995752 HBTFMWPOHQCGKV-KRWDZBQOSA-N 468.365 6.499 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2C)cc1Cl 917044163 QZPFSUSTSSOUTK-GOSISDBHSA-N 467.907 5.615 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccc(Br)cc2)c1=S 917488136 ZJRPWSORLLWZSD-FQEVSTJZSA-N 485.451 5.833 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 917506719 FSYAACDHEFJAHQ-SFHVURJKSA-N 492.963 5.039 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CCCC1 917706962 DPJFSJFMOBOZTF-HXUWFJFHSA-N 497.418 5.224 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 920101435 AESGHETZXNCPOZ-INIZCTEOSA-N 469.335 5.242 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1 920806730 OUUPLQSSQMVIPT-AWEZNQCLSA-N 479.371 5.960 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)cc2)CCC1 1785798101 ITVIPANQQSUAIC-IPJJNNNSSA-N 469.626 5.121 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Br)cc4c3)CCC2)cc1 1785936490 OPTWSJXMZLQENK-UHFFFAOYSA-N 491.389 5.295 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1785936778 GMIBMFJOPUMATI-UHFFFAOYSA-N 467.529 5.120 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)COc3cccc4ccccc34)CCC2)cc1 1786364230 FDTZSNNAAIINKW-UHFFFAOYSA-N 472.585 5.336 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)Sc3ccccc3)CCC2)cc1 1786364876 VBTAFWIIYBWRIH-FQEVSTJZSA-N 452.620 5.284 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCCc3cc(OC)ccc3OC)CCC2)cc1 1786679390 AIGXNMRKUWDJMD-UHFFFAOYSA-N 482.646 5.080 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccccn4)cc3)CCC2)cc(C(F)(F)F)c1 1786961129 XITABAAQQRKAEU-UHFFFAOYSA-N 492.501 5.353 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)CCCCCCCC(=O)OCc3ccccc3)CCC2)cc1 1787651404 RPSYITQOHHWSHD-UHFFFAOYSA-N 489.616 5.508 30 20 JKED O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1787753510 RGHFLDARLMBXMZ-OKCVXOCRSA-N 483.490 5.094 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc2)CCC1 1788990410 MRZCUGCOGNCXNZ-UHFFFAOYSA-N 491.975 5.145 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4cc[nH]c34)cc2)CCC1 1788991852 JUCKWULNYQSKBZ-UHFFFAOYSA-N 452.352 5.254 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Sc3cccs3)CCC2)cc1 1790567492 MOZOOSYCTABOQH-SJORKVTESA-N 459.637 5.164 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3N3CCCCC3)CCC2)cc1 1790568441 YMMTTYHBWRZMII-NRFANRHFSA-N 476.621 5.226 30 20 JKED CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cn1 1790763909 GACUHZNKOUOAQP-UHFFFAOYSA-N 458.949 5.231 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCc5ccoc5C4)CCC3)cc2)c1 1790795196 HUMBJQCLEUZCOF-NRFANRHFSA-N 453.542 5.013 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccc(Br)cc34)CCC2)cc1 1791583662 WINUHDVWPJQQPW-UHFFFAOYSA-N 492.417 5.411 30 20 JKED Cc1ncc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)s1 1791960042 HESRPTBLVWTDQF-DXRVJIQQSA-N 470.598 5.540 30 20 JKED Cc1ncc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)s1 1792123903 FZFGSFNXMXGGRR-DXRVJIQQSA-N 470.598 5.540 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cncc(-c5ccccc5C=O)c4)CCC3)cc2)CCC1 1792232647 FLZKZCMSHOCDPZ-UHFFFAOYSA-N 478.552 5.003 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](F)c4cccc(F)c4)c2)C3)cc1 1800543123 HWUJNUSXBPCEOI-PUHABZHSSA-N 499.561 5.516 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1803091486 NONJHKCETWEUKS-LVXARBLLSA-N 489.019 5.371 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1803216221 ASURIMODBATKJD-PFBJBMPXSA-N 459.634 5.296 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1C)c1ccc(O)cc1 1803838714 LIBJIEWJDQJNBC-YUMYIRISSA-N 498.545 5.168 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1804377588 ARMYHYKKABSNPT-ZRCHRNFPSA-N 470.617 5.275 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc(Br)ccc4s3)CC2)C1 1805044523 MDLCRNVOVYUPQL-UHFFFAOYSA-N 488.451 5.058 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1806410378 NNNVKMAPDPSGLT-IXCJQBJRSA-N 469.629 5.476 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1806670385 UBFJHLPDFOGYPJ-QHCPKHFHSA-N 463.087 5.230 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc3ccccc3c2)[C@@H]1c1cccnc1 1807891761 HPZYXYSGYSXKNH-IRPSRAIASA-N 476.580 5.193 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808155344 HXQHUDISEMOOME-HFZDXXHNSA-N 491.035 5.613 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1809464012 TZJSUNNVXPFNHG-DHLKQENFSA-N 478.036 5.241 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1810272519 OYANCAPDVONBBR-IRPSRAIASA-N 497.715 5.606 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1811749251 PSNLSMPAWMFQFE-FPDDQMOCSA-N 487.003 5.038 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812303058 POXRICDNRBBFAU-DFHRPNOPSA-N 479.580 5.494 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)cc1 1814497939 OVQBJSFCRZFYIX-OAQYLSRUSA-N 487.560 5.184 30 20 JKED O=C(C#Cc1ccccc1)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1816954668 HLTPXWQKAGJDPL-HXUWFJFHSA-N 489.988 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)[nH]n1 1819305746 YYDQPYKXDGLFAY-CTNGQTDRSA-N 474.527 5.432 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1 1819385186 MDASXSKYSWPXIP-HSZRJFAPSA-N 475.669 5.248 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)[nH]n1 1819555726 XWJHPHNGLJRFLO-LJQANCHMSA-N 474.646 5.152 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)[nH]n1 1819555832 DRGPTCPAFFROLS-QFIPXVFZSA-N 477.609 5.057 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)CC2 1819979401 RWZOYZNGUNXKDA-JIFRPHPKSA-N 474.586 5.001 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(Cl)ccc(Cl)c3O)n[nH]2)cc1 1821267110 SYTFDVDIIHGTOA-IBGZPJMESA-N 498.370 5.108 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C)cc(C#N)c3)n[nH]2)cc1 1821325527 IRDJQBQHMFKSCK-GZTIXLHPSA-N 483.572 5.008 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821385710 ULDPKCNGALTOKO-JOCHJYFZSA-N 463.969 5.111 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1821919701 BOEGRCPLTRCWDW-FOIQADDNSA-N 467.957 5.236 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1822393023 MBKZZRSREWTVKP-SFHVURJKSA-N 466.891 5.191 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)[nH]n1 1822580879 BPMDJGDELXDUAK-LJQANCHMSA-N 478.927 5.164 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cnccc34)[nH]n2)c1 1823215280 PRKXSUDCEXDOJQ-BVZFJXPGSA-N 478.556 5.205 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)cc1F 1823293133 ZZIORLOCMYNOCC-HSZRJFAPSA-N 489.551 5.136 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1ccc(F)c(C(F)(F)F)c1 1823298876 XTFUIHMZEFXTFW-OAHLLOKOSA-N 492.395 5.216 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]n1 1823420147 LEKGCTALIHXAGL-AREMUKBSSA-N 477.568 5.344 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)cc1 1823668843 LFPWSYHYBIQOQW-QHCPKHFHSA-N 499.442 5.126 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cc(Br)cnc34)CC2)C1 1823701433 KJRQBIMIEXYSNT-QHCPKHFHSA-N 496.449 5.197 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2OC)CC1 1823753386 LSGPJQHEZOOEAG-RUZDIDTESA-N 484.681 5.249 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 1823814311 VRLAPXMXBQSUHG-PXJZQJOASA-N 489.635 5.299 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1824054264 SACBUGLDMIVLFG-VWLOTQADSA-N 497.561 5.443 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1824141614 XTPGUWXZTSMCNT-RUZDIDTESA-N 475.633 5.652 30 20 JKED O=C(c1c(-c2ccccc2)cn2ccccc12)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824410966 DZGPCKQRYNSDKF-MHZLTWQESA-N 479.624 5.253 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)CC1 1824824229 IYXRJGPJHRERPS-QIXDEVMZSA-N 456.577 5.366 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825096840 VNXFRJVLSYKYEU-ZXEGGCGDSA-N 455.549 5.012 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1825219769 DDSOIICTNJTNQJ-HSZRJFAPSA-N 493.614 5.645 30 20 JKED CCC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CCC1 1828477940 GLVUZTGLBQBENG-JOCHJYFZSA-N 486.454 5.134 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606624 LHSNQEHSIDHEJG-UWJYYQICSA-N 473.614 5.075 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1828608215 GNUYKKWOJUWRAO-IIBYNOLFSA-N 476.543 5.027 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccc(Br)cc4n3)CC2)C1 1828701282 FGGPTYIBWUIJQM-DEOSSOPVSA-N 496.449 5.197 30 20 JKED CO[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1)c1ccccc1 1828905229 LVOPJYJOZWVYDI-BDYUSTAISA-N 482.741 5.045 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccn2)CC1)c1ccccc1 1829031635 CPJISROJVULPPC-AZGAKELHSA-N 478.036 5.166 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1829069643 ANPYTPKGHZDIQH-XZOQPEGZSA-N 491.717 5.292 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)c1 1829956536 KHNJBWQPXPTAIQ-HHHXNRCGSA-N 484.644 5.096 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3)CC2)ccc1Br 1829963054 QCXTXJGKJAGUTE-HSZRJFAPSA-N 498.396 5.007 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)CC2)c1Cl 1830089060 SHXXHBPADBHLBW-QFIPXVFZSA-N 471.935 5.037 30 20 JKED O=C([C@@H]1[C@@H]2C=CS[C@@H]12)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830604323 CITXJQZLCWULPJ-QUAHOIDUSA-N 496.676 5.195 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1830631971 UIIFNIOCQFZDOX-LJAQVGFWSA-N 492.623 5.362 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720915 MXCUPLHFFGRVBL-OAQYLSRUSA-N 486.037 5.219 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c(Cl)c1 1830721978 WZGMUXPFXYQADX-QPPBQGQZSA-N 495.973 5.363 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 1830722176 BSKKKHJBEGAODT-HSZRJFAPSA-N 470.400 5.412 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1830764933 ATWNKRANUVZKME-HQNXYIODSA-N 489.582 5.469 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831031222 OARMIWYWJBCBSV-FNZWTVRRSA-N 476.617 5.072 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)C(F)(F)F 1831453408 UVMHECWRHGBUHM-KRWDZBQOSA-N 463.327 5.345 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1831849313 SGCSKWLEGYBVDF-MHZLTWQESA-N 482.628 5.267 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)s1 1832172894 ANXRPKSODFSMKE-LWRDNFPTSA-N 482.671 5.190 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)CC2)C1 1832704505 MHVWESPGPAUJMH-NRFANRHFSA-N 452.492 5.044 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1832800618 VPKPBQMVCVLKGS-JTAQYXEDSA-N 493.545 5.299 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3oc4ccccc4c3C)CC2)CC1 1838217804 QIMCHXWFOBIYFM-UHFFFAOYSA-N 466.622 5.346 30 20 JKED Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)c1Cl 1838821898 ZXWWTUAMMHCHDS-HXUWFJFHSA-N 494.035 5.202 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccc(N(C)C)cc2)c1 10172403 KJFLYWDGZLJFCL-UHFFFAOYSA-O 496.656 6.500 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 10831686 GMCZFIBYLJEGOC-UHFFFAOYSA-O 452.770 5.691 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1c(C)cc(C)cc1Cl 11089497 QNBZERDBGGRBLO-UHFFFAOYSA-O 483.057 6.005 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)c1C 11127997 SRRFYWRKHZFBBY-UHFFFAOYSA-O 488.589 5.005 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2F)cc1 11170192 OMRAXZBNKYQDNF-UHFFFAOYSA-O 457.541 6.346 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c3cnn(C(C)C)c3n2)cc1 11679531 XNAKQXOOTSRCGL-UHFFFAOYSA-N 499.596 5.399 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)nnc1-c1ccncc1 12055775 GDULQMPCPZUXEX-UHFFFAOYSA-N 485.617 5.100 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccc(OC)cc1 12477513 JDUWAARKAVMZCN-UHFFFAOYSA-N 490.633 5.276 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 22664228 GEDZGFAIYCJRGK-NRFANRHFSA-N 454.526 5.027 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C(C)C)cc2)cc1 22728637 MMAPKVBHJUSPDF-UHFFFAOYSA-O 453.578 6.379 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nc2sc3c(c2c1=O)CCC3 23631991 BOTWPLXAEQKJGD-UHFFFAOYSA-N 497.667 5.566 30 20 JKED C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 26973411 UNKZNHCFMCMJGQ-CQSZACIVSA-N 499.065 5.062 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 32786842 GEKGWUMYMQEBPL-INIZCTEOSA-N 479.606 5.437 30 20 JKED CCCOc1c(Cl)cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC 104688100 JWTSIWZAGCIAFF-UHFFFAOYSA-N 474.995 5.405 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 110482151 RPDMIQVYSQGGJG-CQSZACIVSA-N 469.328 5.118 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2[C@H](C)c2ccccc2)n(-c2ccc(F)cc2)c1C 117465038 XQFKCQWFOJMRIF-GOSISDBHSA-N 474.565 5.037 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1Cl 247664548 VPPPNZJYUUQNHW-UHFFFAOYSA-N 463.950 5.232 30 20 JKED CCCCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(CCCCCC)cc3)cc2)CC1 248273325 QZOWPMMJEZNJLD-FBSWEULCSA-N 462.718 9.663 30 20 JKED Cc1ccc(-c2ccc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(F)c2)cc1C 409778330 ZLHHSQBPDKVYPV-UHFFFAOYSA-N 455.533 5.472 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1F 481593834 FHNZBNUSQZFKID-XMMPIXPASA-N 473.483 5.060 30 20 JKED COc1ccc(Sc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)cc1 481654456 HHSXZMHEXFUWGS-UHFFFAOYSA-N 460.603 5.314 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCC3(c4ccc(F)cc4)CCOCC3)cc2F)c1 481688899 VYHSXKUOMXXLOP-UHFFFAOYSA-N 477.511 5.285 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)c2)c1 491975388 DVSDCXSWMNKICG-FCHUYYIVSA-N 460.331 5.315 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCCc3nnc(-c4ccccc4)o3)c2)cc1 501466506 JTFMATGILFCTSM-UHFFFAOYSA-N 452.514 5.343 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 503225394 KKFDJPQOMUJHEE-XMMPIXPASA-N 471.626 5.645 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 503339876 JBZRHOJLZZYFSD-UHFFFAOYSA-N 479.874 6.083 30 20 JKED N#CCCn1cc(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 505157841 ZSWDNLIENJXNQC-RUZDIDTESA-N 493.523 5.293 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)c2)c1 505589480 COFQYMBCEJPHQW-XMMPIXPASA-N 482.565 5.582 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)s2)cc1 510643355 FERDIPSUXQJNNJ-IBGZPJMESA-N 488.548 5.206 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 511006355 ZUQUWFRTEBHRGB-NRFANRHFSA-N 496.995 5.124 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 511098885 OWCODVGOXGESII-LMSSTIIKSA-N 468.597 5.390 30 20 JKED CCOc1cc(Br)c(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1OCC 511588085 YOLSTJGDKCDNOH-NRFANRHFSA-N 461.356 5.160 30 20 JKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1nc(-c2c(F)cccc2F)cs1 511748852 VKFOIWGDCCSNSR-LLVKDONJSA-N 471.382 5.253 30 20 JKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COc1ccc(Cl)c(C(F)(F)F)c1)CCCC2 512105837 PZWDYPPMEBRXRM-OAHLLOKOSA-N 481.902 5.107 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 513936527 VFQZFSAWDYEKQH-UHFFFAOYSA-N 478.955 5.422 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)c2)c1 515449196 KGRASZAKZOSTEU-UHFFFAOYSA-N 475.430 5.267 30 20 JKED N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)c1 516307021 YQJHEDWKJKDYSG-UHFFFAOYSA-N 458.276 5.051 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1Cl 517297885 ZNORDWCJINXYBJ-IRLDBZIGSA-N 485.893 5.744 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 518516641 QJWWBKVHHPGFMQ-GOSISDBHSA-N 460.971 6.257 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 518676646 LBBHQDNHYCPGFW-OXQOHEQNSA-N 475.536 5.649 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)CC1 519022886 WRCHVKQOQMXBHS-QHCPKHFHSA-N 450.995 5.284 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(C(=O)N2CCCCC2)c1 519417235 NTOBZHVZLYVTPL-IBGZPJMESA-N 467.660 5.436 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 519433180 VRIARCWWSOGWOG-AUUYWEPGSA-N 462.402 5.488 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Oc5ccc(C#N)cc5)cc4)nc(O)c23)C1 520560461 RSJFQVQCHDFQLJ-INIZCTEOSA-N 484.581 5.757 30 20 JKED N#CC1CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccc(C(=O)c3ccccc3)cc2)CC1 520594323 NPSQXNCWLUUMKF-UHFFFAOYSA-N 459.933 6.131 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3nc4cc(Cl)ccc4s3)c2)cc1 521279808 SZLJSTHCMMOGMU-UHFFFAOYSA-N 462.962 5.916 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)c2)cc1 521494880 CZTLXGNSVNYRBF-LJQANCHMSA-N 458.493 5.372 30 20 JKED C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1I)c1ccc(C#N)cc1 522216639 LSSSDHVUIIFLNU-NYHFZMIOSA-N 499.327 5.452 30 20 JKED CCC[C@H](C#N)NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 522583911 BGCWSEBLGLXMCS-XMMPIXPASA-N 496.032 5.153 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2Cl)c1 524405819 KPUGSCWFBDMZTQ-UHFFFAOYSA-N 459.977 5.641 30 20 JKED CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1 524616979 LBVJCVWWXUJQIK-GOSISDBHSA-N 495.626 5.533 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 553983737 TVXOUVFEDIWEIY-UHFFFAOYSA-N 451.454 5.755 30 20 JKED C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4ncccc4C#N)CC3)c2C1 560919942 ORYOTQXCOVKLLJ-XLIXHQMESA-N 489.579 5.180 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc1 589728565 YGVDLRISUPNRAV-QHCPKHFHSA-N 471.523 6.279 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccccc2OC)cc1 594899561 FSSNKFQFUJNHLP-SANMLTNESA-N 455.558 5.421 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3sc4c(c3C#N)CCCCCC4)n2)cc1 603996694 QHBZEIKKCMVJTH-UHFFFAOYSA-N 450.564 5.299 30 20 JKED COc1cc(-c2noc(CNc3cccc(OCc4cccc(C#N)c4)c3)n2)ccc1OC(F)F 604007197 VVVRRQGYNPFKDW-UHFFFAOYSA-N 478.455 5.409 30 20 JKED COc1cc(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OCC(F)(F)F 604547925 BCXBWTHADQKERK-UHFFFAOYSA-N 471.435 5.267 30 20 JKED N#CCCCOc1cccnc1NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 608882860 GUWAATULLUUVBU-MNDPQUGUSA-N 499.552 5.851 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1Cl 609057733 MMOARDJETLKOGD-UHFFFAOYSA-N 451.910 5.118 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 609062006 QWLWGFWZKIIKQL-UHFFFAOYSA-N 478.552 5.134 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 609079241 QLYCOYSXLCLTPK-XMMPIXPASA-N 464.569 6.339 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCSCc1cccc2ccccc12 609403217 DRVPGZAPFDHYJQ-GOSISDBHSA-N 463.628 5.080 30 20 JKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609435231 ZRKUSOSQBPAYHA-MSOLQXFVSA-N 476.577 6.355 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc(F)c(F)c(F)c1F 620352659 LKXAKXLQXSZISG-UHFFFAOYSA-N 470.344 6.075 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1Cl 642035181 HKOJLKXFEDTKSD-UHFFFAOYSA-N 469.344 5.125 30 20 JKED C=CCn1c(SCC(=O)N2CCCc3cc(F)c(F)cc32)nnc1-c1ccc(Cl)cc1 642145214 ADUODJSDPCYTCM-UHFFFAOYSA-N 460.937 5.134 30 20 JKED C=CCc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@H]2C)cc(OC)c1OC 642239209 PVTIQXIOSFENQO-HDICACEKSA-N 496.604 5.105 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CC[C@@H](C)OC)C1=O 726401621 UGSPMKQOWIKYJG-IIBYNOLFSA-N 490.025 5.042 30 20 JKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc21 726510583 BZUBKMGWAYKXNL-UHFFFAOYSA-N 471.582 6.259 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2ccc(C(C)(C)C)cc2)c1 726573315 XDWJQYGFDYMXBL-UHFFFAOYSA-O 467.658 6.455 30 20 JKED CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 727132090 PMHHXQWPFOYEHX-DEOSSOPVSA-N 457.530 5.342 30 20 JKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ccc(OC)c(OCCCC#N)c2)CC3)cc1 727780844 UTWVBGQKELOZLE-CYVLTUHYSA-N 460.555 5.722 30 20 JKED N#Cc1cccc(COc2ccc(NC(=S)NCCc3ccc4c(c3)OCCO4)cc2Cl)c1 727978455 LRMLHYARSNGPSS-UHFFFAOYSA-N 479.989 5.091 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 728391574 VXCQLFIITVSJOG-HNNXBMFYSA-N 460.921 5.406 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2sccc2C)cc1 728422206 FBTRCQYSDNRKDW-NRFANRHFSA-N 490.610 5.097 30 20 JKED Cc1nc(/C=C\c2c(Cl)nc(Cl)n2C)sc1C(=O)/C=C\c1c(Cl)nc(Cl)n1C 728440143 JYKJYRBWEWFKEQ-PEPZGXQESA-N 477.204 5.599 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccccc2)cc1Br 728688220 WAACEFOCRZFLSD-QFIPXVFZSA-N 466.335 5.271 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2cn(-c3ccccc3)nn2)C(=O)c2ccccc2)c(Cl)c1 728698093 CJUSNPZWSDSVPJ-PXLXIMEGSA-N 456.933 5.443 30 20 JKED N#Cc1ccc(OC2CCN(Cn3nc(-c4cccs4)n(Cc4ccccc4)c3=S)CC2)cc1 728903045 HXEJYIYOELLFGS-UHFFFAOYSA-N 487.654 5.563 30 20 JKED C[C@@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NC3CCN(CC#N)CC3)c2C1 730504771 YXMVQUIWFIOSFH-DVSFFSCISA-N 493.655 5.141 30 20 JKED C[C@@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NC3CCN(CC#N)CC3)c2C1 730504772 YXMVQUIWFIOSFH-HBFAPYFHSA-N 493.655 5.141 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 730687856 QDTMZVZJAFOPKR-HKUYNNGSSA-N 484.668 5.659 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2Cc2cocn2)cc1 730720608 SAYQFFFTTVZNMK-OAQYLSRUSA-N 498.992 5.060 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)cc2Cl)c1 730904644 UGJTZVIOPZMRQD-OAQYLSRUSA-N 489.881 5.665 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 731031044 PDLMRAGGYBELJU-HJNYFJLDSA-N 486.682 5.273 30 20 JKED Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)CCCS(C)(=O)=O)cc3)sc2c1 731161575 JDAGXMJJAMEKMM-UHFFFAOYSA-N 487.672 5.050 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731305492 DJASMCZNTYMJEY-YCRPNKLZSA-N 483.590 5.184 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1cccnc1 731310233 CZBMVYSLUBPCIJ-AOMKIAJQSA-N 495.004 5.471 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)s1 731310917 SLZIRHFHODUAJI-VFNWGFHPSA-N 483.590 5.623 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 743526542 VWDTYJYOFAFBGO-AOMKIAJQSA-N 480.540 5.390 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 743526628 WARLZGVFZRXVRB-QFIPXVFZSA-N 471.598 5.138 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 745344771 PDVYHROWTYCECB-UHFFFAOYSA-N 495.923 5.027 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 746663089 AOMPXLPXOCRQFN-WGULBIPPSA-N 496.658 5.356 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc(Br)cc3)s2)ccc1S(C)(=O)=O 747065949 FQYRITDAHJXOQG-NTMALXAHSA-N 477.401 5.486 30 20 JKED COc1ccc(/C=C(/Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)cc1OCCCC#N 747361234 ISMLGSWZLHGMCX-MHWRWJLKSA-N 463.843 5.370 30 20 JKED COc1ccc(CN2C(=O)/C(=C\c3ccc(OC)c(OCCCC#N)c3)c3ccccc3C2=O)cc1 747361827 YCLSZVJEXYHWDT-UQQQWYQISA-N 482.536 5.110 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c1 747599239 ILSPFKXTHFSEPX-JOCHJYFZSA-N 492.670 5.580 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O 747600367 QFLUGCWLRAZRNH-IBGZPJMESA-N 485.034 5.308 30 20 JKED C[C@H](OC(=O)c1cnc(-c2ccccc2Cl)s1)C(=O)N(CCC#N)c1ccc(F)cc1 747952366 NAPRQQYGGRYKGP-AWEZNQCLSA-N 457.914 5.095 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC1 748993823 FJBKPYNDHMBFMP-UHFFFAOYSA-N 494.624 5.085 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(NC(=O)OCC)cc1 749333248 WNFVGLZPPJVUOQ-UHFFFAOYSA-N 450.308 5.377 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C3/CSc4c(F)cccc4C3=O)cc2OC)o1 767912565 OXYSMRIFSOBOBV-GDNBJRDFSA-N 454.475 5.165 30 20 JKED CC(=O)Nc1ccc(C(C)=NOCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 837152257 CBSFYGXBFKWZFG-UHFFFAOYSA-N 461.362 5.062 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](C)c2ccccn2)C1=O 837781091 CRYDTHYEFYDCJR-KSFYIVLOSA-N 495.004 5.465 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 838073390 BXDCLKLZBFWVCI-OYHNWAKOSA-N 496.539 5.090 30 20 JKED COC1CCN(c2ccc(NC(=O)c3cc(F)c(C(F)(F)F)c(F)c3)cc2C(F)(F)F)CC1 857446869 KOVJQORUCOOAQY-UHFFFAOYSA-N 482.371 5.870 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 899915390 USGAYOFNSZWQRC-AKJBCIBTSA-N 472.570 5.111 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103826 GIJPHAZQAOPWJQ-CVEARBPZSA-N 477.533 5.043 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)c1 915576453 FOZPDLPRSZIINL-GOSISDBHSA-N 474.561 5.333 30 20 JKED COc1ccccc1-c1nn(CN(CCC#N)Cc2cccnc2)c(=S)n1-c1ccc(Cl)cc1 915795968 OUQOCVKPKKVWPG-UHFFFAOYSA-N 491.020 5.501 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cs1 915861859 GMFPQWSLQOMLLE-JOCHJYFZSA-N 456.527 5.134 30 20 JKED O=C1N/C(=N/C2CCCC2)S/C1=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 916154623 PFIMUKLUJUTBGS-YBFXNURJSA-N 460.386 5.748 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1Cl 916252362 ITBKMXSFMCCFAN-DEOSSOPVSA-N 472.976 5.553 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916720273 LZCZKRMJRXILKD-OOJFRLDISA-N 482.606 5.251 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 916956093 XSRGLSVKRREXOG-KPDCDPCYSA-N 465.981 5.053 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976355 CAVCJTRVOGXMMY-SFHVURJKSA-N 480.018 5.575 30 20 JKED Cc1cccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c1C 917042167 CILBXPVVEJZZHB-HOCLYGCPSA-N 457.477 5.161 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(CSc2ccccc2)cc1 917505550 OBUBNBHHTRXGGW-NRFANRHFSA-N 460.555 5.306 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 917505591 OKZVIFNLGDJBNO-INIZCTEOSA-N 454.935 5.396 30 20 JKED COc1ccc(/C=C2/CC3(C/C(=C\c4ccc(OC)cc4)C2=O)C(=O)Nc2ccccc23)cc1 917518234 WNTSVQTXSCCRBM-KBNZVFGVSA-N 451.522 5.424 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(SC(F)F)cc1 917653484 PNYHWRQPIOFBOH-IBGZPJMESA-N 490.601 5.214 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 917663891 PUJITRFIZRZTGD-UZUQRXQVSA-N 494.592 5.076 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)s3)C2=O)cc1 917673792 HZGHAEDNVYVMLJ-JOCHJYFZSA-N 477.611 5.420 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CCc2ccc(Cl)s2)C1=O 917679518 NJCNCIMELMSDNC-CQSZACIVSA-N 476.838 5.019 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 917689318 WSHGBGWVZHKUJU-SOYKGTTHSA-N 479.627 5.044 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 917797967 LBJPORKLZFFOOW-IXCJQBJRSA-N 497.595 5.042 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)cc1 918128045 QMKHENPXZUMCSG-VWLOTQADSA-N 478.577 5.381 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1 919904200 ASUBAJQGQLORRK-RUZDIDTESA-N 459.977 5.865 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 920101513 BXUUVNQSMGINGA-NRFANRHFSA-N 472.928 5.923 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 920110637 FGRYEJKVHZPROB-SPEDKVCISA-N 485.544 5.638 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](C)c2ccc(C)s2)C1=O 920170123 JRRJAKJEWRNGQH-JTSKRJEESA-N 479.627 5.787 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cc(C)on3)C2=O)c1 920354556 DUZTUXASVHZPFJ-OAQYLSRUSA-N 482.993 5.414 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cc(C)on3)C2=O)c1 920359660 PXSRVEKNEBZHSV-HSZRJFAPSA-N 492.601 5.276 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3sccc3NC(=O)c3ccncc3)c2)cc1 920478570 MAKSCZHMIXHHRA-UHFFFAOYSA-N 468.538 5.293 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1C 920894027 JKVFTIHOXHFJQU-UHFFFAOYSA-N 471.344 5.183 30 20 JKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1 929068906 FIMSOTCIMZVLEC-UHFFFAOYSA-N 482.971 5.642 30 20 JKED CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H](C)CC#N 1514489263 WFEAASVFPVPMRZ-UYAOXDASSA-N 459.038 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3c(Cl)cncc3s2)C1 1777710994 VLJVYOXLXWEUGR-PXDATVDWSA-N 490.069 5.070 30 20 JKED C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)C1 1781457077 QAJZBTQFINDPHM-WNJJXGMVSA-N 494.582 5.097 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCc3cccc(Br)c3F)cc2)CCC1 1786092598 SAOACDRAGUEOCY-UHFFFAOYSA-N 471.370 5.068 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1786366971 LOTDLNGBBJOWBV-UHFFFAOYSA-N 469.585 5.479 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C(F)(F)F)c3)CCC2)cc1 1786395951 OLRUSQCUFVRKEH-NRFANRHFSA-N 479.568 5.122 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cs1 1787527452 JKXPHBCDHXJLLK-UHFFFAOYSA-N 450.951 5.038 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccnc(C(F)(F)F)c3)CCC2)cc1 1788649339 JBABMKDJPUGMOY-CMDGGOBGSA-N 499.514 5.349 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)CCC2)cc1 1789455199 NVYMZJHLNKCUDE-AGILITTLSA-N 495.664 5.534 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1 1789508140 PZSJWITUYKZQRQ-UHFFFAOYSA-N 472.665 5.362 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)COc4cc(Cl)ccn4)cc3)CCC2)c1Cl 1789621642 XTTONWJYALZVNV-UHFFFAOYSA-N 495.366 5.087 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC(F)(F)F)c(F)c3)cc2)CCC1 1790587079 QHHAYOWEMCHWPV-UHFFFAOYSA-N 450.432 5.091 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c(Cl)cccc45)CCC3)cc2)cc1 1790707801 PFFHICXOVIPASX-UHFFFAOYSA-N 483.959 5.344 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)ccc1F 1790710203 BFIDYIDUJAFCNP-UHFFFAOYSA-N 494.526 5.343 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791244556 VHJITMDDYLPVAV-RTWAWAEBSA-N 483.653 5.370 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)c1 1796476344 FUPIBERRKJRTIH-JTMVAAEOSA-N 478.596 5.250 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1C(F)(F)F 1799707298 LYNBIUKKHYPNMU-BJWYYQGGSA-N 488.403 5.429 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cc1 1800498643 YEKGXQIRNILVDZ-NUNAXRQHSA-N 468.714 5.167 30 20 JKED CCOc1c(F)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)cc1Cl 1800592157 GQZLZNOCSHMZEA-HUJKARHJSA-N 483.971 5.070 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@H]1c1cccnc1 1802500081 WAHWVLIHBAYTBK-UUOWRZLLSA-N 480.559 5.153 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccccc4)CCCC3)[C@H]2c2cccnc2)c1 1802871674 LCUBMATVVBWTEC-LEAFIULHSA-N 492.623 5.093 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccnc2-c2cccc(F)c2)C3)c1 1803678373 AKRYXAGYACTWRY-FUJBWUKOSA-N 482.559 5.080 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1805456376 QHQMZGXVPDOLHF-UHFFFAOYSA-N 495.667 6.220 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1807843220 HRSGRZKKNQUBQX-RBJSKKJNSA-N 496.655 5.764 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808828761 WECGPEGLKILPRN-ILBGXUMGSA-N 486.641 5.293 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc3[nH]ccc3s2)[C@@H]1c1cccnc1)c1ccccc1 1809464714 LIWIYRZDQJFSPU-KHVXQDHOSA-N 496.636 5.141 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1cccc([C@@H](F)c2cccc(F)c2)c1 1810469177 QBKFDLGBLUVZLP-OYFGVDPJSA-N 499.561 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810503583 QUWUEPOAXBNKGC-GCJKJVERSA-N 491.529 5.552 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1811893752 MRCJCWHBVLZWCY-PQHLKRTFSA-N 494.639 5.248 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc4ccoc4c3)[C@H]2c2cccnc2)c1 1812150256 IJWAZDRBIZQRPT-WMTVXVAQSA-N 478.552 5.088 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813225170 JNOQLKOVHXJXHR-DJRDNFGQSA-N 483.534 5.013 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccccc4c(Cl)c3OC)[nH]n2)C1 1814396285 FLPKGEKQSMVXIL-OAQYLSRUSA-N 478.980 5.497 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@](C)(OC)c3cccc4ccccc34)n[nH]2)C1 1814406850 RXEIKTMVYDUFMW-YWEHKCAJSA-N 472.589 5.083 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1815246063 FTUWQABYLWMRLI-AEFFLSMTSA-N 488.963 5.342 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(F)ccc2Cl)n[nH]1 1815573040 YXIBCWCSSRYTPH-OAQYLSRUSA-N 458.965 5.205 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc3c2CCCO3)n[nH]1 1817800403 NLMMIOKLCFVTPK-LJQANCHMSA-N 456.612 5.095 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818115487 FWBWJTLTLVENEN-HJLKFOAISA-N 476.602 5.096 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccoc3C(F)(F)F)n[nH]2)c1Cl 1818211972 PVJCLALPNQOEBE-INIZCTEOSA-N 491.857 5.166 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)noc2-c2ccc(Br)cc2)n[nH]1 1818280275 IMICLTIYDBWINX-GOSISDBHSA-N 498.381 5.018 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc5occc5c4)sc3C2)c1 1818455979 OLCCPIQZYYKCDS-QRWLVFNGSA-N 470.554 5.056 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)oc3cc(O)ccc23)n[nH]1 1818659288 CAEWCYPAFLQADJ-RXVVDRJESA-N 462.550 5.244 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)[nH]n1 1819303708 ZPPMGNDTULRHJA-WIOPSUGQSA-N 471.605 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)[nH]n1 1819305748 YYDQPYKXDGLFAY-PZJWPPBQSA-N 474.527 5.432 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)[nH]n1 1819306014 UYOJDDVFCSMKOW-NQIIRXRSSA-N 495.027 5.348 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)[nH]n1 1819554497 CUGZJOCGVMUKHI-LJQANCHMSA-N 468.989 5.238 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n[nH]1 1819737944 BGCRILHPFOOQMY-GOSISDBHSA-N 462.381 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091477 IMOYUUKEBGRVTL-REWPJTCUSA-N 497.599 6.225 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820229584 RWKYCMBTNWPURI-HXUWFJFHSA-N 470.957 5.098 30 20 JKED CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1820606867 ICZBVIKCLKTSMW-UUOWRZLLSA-N 455.562 5.219 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)ccc2OC)n[nH]1 1820654365 IYGQGADEKDMDMP-XLIONFOSSA-N 456.974 5.146 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823295 HZTRREHVLJWQTL-LAUBAEHRSA-N 465.985 5.233 30 20 JKED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)c3c4ccccc4n4ccsc34)sc2C1 1821191151 KYJYBKGECNFLOX-ZDUSSCGKSA-N 486.569 5.048 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1)c1ccc(O)cc1 1821459132 JVHMFOKYOMJACI-SQJMNOBHSA-N 496.567 5.365 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1821986549 HWSSEICYJWZJCC-SFHVURJKSA-N 488.922 5.840 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)[nH]n1 1822392917 IDWDTSQXKCLRIV-NRFANRHFSA-N 490.526 5.240 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)[nH]n2)c1 1823212047 KZOVNLHXOWYCBX-DNVCBOLYSA-N 473.499 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1823218480 RYHPUCYWXNVAOE-OPAMFIHVSA-N 486.963 5.182 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1823883704 XEIZDTPMHJRFMN-JOCHJYFZSA-N 477.571 5.198 30 20 JKED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1 1824420040 KNGPWJPCXIIXCG-KRWDZBQOSA-N 489.597 5.251 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c[nH]1 1825438895 IYYXSZDFXHWSFU-QHCPKHFHSA-N 481.040 5.384 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 1826419720 UZQSRCGPVNFNES-MRGHISEYSA-N 454.655 5.027 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)c(Cl)c1 1826529607 CDHLLPOCCXJYBY-MYHFBWBUSA-N 461.993 5.158 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1827334385 LVCJIQANUGLRRH-QFQXNSOFSA-N 475.633 5.203 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)cc12 1827414258 WQCZAQHGVJFVFM-NRFANRHFSA-N 496.633 5.224 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cs2)CC1 1827718732 MXOGFVJUVIFSAB-FQEVSTJZSA-N 479.484 5.512 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1828827110 HMFKFYAKTWTMSG-URXFXBBRSA-N 454.014 5.213 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(Cl)s2)CC1)c1ccccc1 1829033414 WQUPOLSCCBJBCT-YADHBBJMSA-N 484.065 5.227 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 1829068538 CEBYCDUBJHALMY-JOCHJYFZSA-N 450.545 5.330 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccn3c(C)cc(C)nc23)CC1 1829070541 JNXXDAMEDRWTLI-DEOSSOPVSA-N 464.654 5.177 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829690341 WXTRNQSQKKFGKZ-XMMPIXPASA-N 496.076 5.546 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(Cl)cncc4s3)CC2)c1 1829952067 CHYCOMLCNZIIRM-QFIPXVFZSA-N 493.032 5.368 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058611 BWLNNTXMRIWGSF-AREMUKBSSA-N 488.628 5.802 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1831447038 VPRHMYFFWBPBBX-SFHVURJKSA-N 459.364 5.438 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831842379 KTARAKURJPFIRC-HYBUGGRVSA-N 475.658 5.158 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1831922056 VHEUREDIIGTAHN-BUAQGSAMSA-N 490.619 5.220 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 1832828173 RQQNBEOBPUKYCD-HXUWFJFHSA-N 499.371 5.115 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)c1 1841409408 OFLOIMJJSHSESI-UHFFFAOYSA-N 479.983 5.142 30 20 JKED C[C@@H](OC(=O)c1ccccc1CSc1nc2ccccc2o1)C(=O)Nc1ccccc1C#N 9556010 UKXZDRUHIOFVRI-MRXNPFEDSA-N 457.511 5.176 30 20 JKED COc1cccc(NC(=O)C2=C(C)N(c3cccc(C)c3)C(=S)N[C@@H]2c2cccc(C#N)c2)c1 10355342 OLQCIHLRURXHTL-RUZDIDTESA-N 468.582 5.224 30 20 JKED C=CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 10533040 XMLWAIBAELEKCM-UHFFFAOYSA-N 482.896 5.595 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 11089503 GGYFAPCPJABGFU-UHFFFAOYSA-O 452.043 6.474 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1ccc(Cl)c(Cl)c1 11158799 DPPFGYATWKDMPZ-UHFFFAOYSA-O 488.416 5.665 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(CO)c2)cc1 15248045 AIAHRDSIIUAKCH-UHFFFAOYSA-O 488.460 6.122 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)cc2F)c1 15314161 OQPQEFOXVHTHBP-UHFFFAOYSA-N 488.968 5.430 30 20 JKED CCCCSc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)s1 16670482 PSYHEBRYPUFECO-UHFFFAOYSA-N 471.677 5.499 30 20 JKED C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1OC 18074775 RIBZFYUJPJXVGR-QHCPKHFHSA-N 456.542 5.312 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccc(OC)cc1 18771527 XMMWTKJJGGRUMZ-KRWDZBQOSA-N 478.618 5.488 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)nnc1-c1ccoc1C 21273954 KZQGAZFALNPCTP-UHFFFAOYSA-N 468.966 5.354 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 21603151 UUYUDGQERUEKPE-OAHLLOKOSA-N 490.988 5.272 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1-c1ccco1 23201748 LYHVMNFPPLVVTF-NRFANRHFSA-N 475.530 5.413 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nnc1-c1ccco1 23202019 OCJGSSFATUUPIG-UHFFFAOYSA-N 465.604 5.720 30 20 JKED COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 23778905 DOSCZJLFFHMOCD-INIZCTEOSA-N 469.998 5.178 30 20 JKED COc1ccc(OC)c(-c2csc(NC(=O)CSc3nc(C)cc(C(F)(F)F)c3C#N)n2)c1 24284198 GTNPTDNQKYSBFI-UHFFFAOYSA-N 494.520 5.152 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)s1 24416707 CVCZYFGSIAJYIY-UHFFFAOYSA-N 496.658 5.700 30 20 JKED COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2OC[C@H](C#N)CCC#N)cc1Cl 30533142 RUTDNMIWQHOOKS-INIZCTEOSA-N 463.921 5.585 30 20 JKED C=CCn1c(SCc2noc(-c3ccsc3)n2)nc2scc(-c3cccs3)c2c1=O 39554089 NLPJILYYYLHNTQ-UHFFFAOYSA-N 470.626 5.776 30 20 JKED C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1F 195569094 GZEVOKCLYGXTQM-UHFFFAOYSA-N 467.595 5.203 30 20 JKED CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc(-c3ccco3)nc21 303418469 XMAUTZYOBVJVLU-SFHVURJKSA-N 454.317 5.574 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1 409811733 XONWYIGMJIQKTE-UHFFFAOYSA-N 460.509 5.149 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)nc(O)c2c1C 481924732 VZVYMMCDTQQIAD-GFCCVEGCSA-N 496.536 5.087 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)cc1 486434831 OHBUCNPIUFQWQN-MHZLTWQESA-N 470.598 5.743 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)s2)cc1 487325301 WEHWXFZUEMCHEI-UHFFFAOYSA-N 453.527 5.502 30 20 JKED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 497942883 DCXDDQQJGYTFBA-FQEVSTJZSA-N 471.003 5.670 30 20 JKED C=CCN(C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1)c1nc(C(=O)OCC)cs1 501940771 HCPKMDOEZGWOEJ-UHFFFAOYSA-N 487.006 5.515 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1Cl 504115322 HNMLDFVZDCFKGP-DEOSSOPVSA-N 455.949 5.562 30 20 JKED N#Cc1ccc(CC(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)cc1 504388296 MQZLJOVQRZXLGC-FQEVSTJZSA-N 482.403 5.199 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)nnc1-c1ccccc1 505054951 LMUXMWLKRDIVGB-IBGZPJMESA-N 498.612 6.014 30 20 JKED COc1cccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)NCCCCC#N)c1OC 505081909 NZIQYTPRUDXWIL-AZZGVMCLSA-N 469.585 5.799 30 20 JKED CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508243835 STGDMIFKGFNJFG-UHFFFAOYSA-N 472.545 5.211 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 508291172 VCYFGHNNSIZONC-UHFFFAOYSA-N 476.602 5.454 30 20 JKED CN(Cc1ccc(Br)o1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510046835 YZEHHCUFMJJKQC-SFHVURJKSA-N 458.743 6.015 30 20 JKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1OC(F)F 510251323 DVBQIJLTROILLE-GFCCVEGCSA-N 461.519 5.186 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1 511337507 KSHFPULFORKLGX-UHFFFAOYSA-N 490.607 5.835 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 511566396 XAPSSDOHTNNJCM-UHFFFAOYSA-N 496.876 6.769 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccnc1SCc1c(C)noc1C 511567531 ZVJNLKILYPRENG-UHFFFAOYSA-N 470.554 6.203 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 512106776 SHJHGBLNMYEMOQ-UHFFFAOYSA-N 464.831 5.334 30 20 JKED CC(C)Oc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1ccc(Br)cc1Br 512937529 OUOOYYGZVPQKHD-GFCCVEGCSA-N 481.188 5.310 30 20 JKED CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1 513677632 ZVTCBIFPMMYLAX-AWEZNQCLSA-N 480.343 5.418 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 515547403 VPPQYRLHHMUWGI-LJQANCHMSA-N 459.983 6.604 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 518260587 NSOFVUUIKANSMM-MOPGFXCFSA-N 463.628 5.871 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 518683081 HWOQVCYFIYEJJT-SIBVEZHUSA-N 457.599 6.174 30 20 JKED N#C[C@H](C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1nc(-c2c(F)cccc2F)cs1 518870708 FRGMCXNFVPPDTP-LJQANCHMSA-N 498.514 5.337 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nnc(SCc3ccccc3)s2)cc1C 518895588 YGYDVYLCGZTQDA-UHFFFAOYSA-N 474.615 5.477 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 519437420 BQFBKUOLMUAIIV-SFHVURJKSA-N 475.536 5.131 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccncc2)nnc1-c1ccc(Cl)cc1Cl 520100845 XNENADPHAQWYIE-CQSZACIVSA-N 462.406 5.145 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)cc2)cc1 521356784 SNUZQAWKSQYJOY-UHFFFAOYSA-N 481.581 5.599 30 20 JKED C=CCN(C(=O)Nc1ccccc1N(C)Cc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 521808755 LUHRBHPGEDDBNS-NRFANRHFSA-N 467.577 5.080 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nccnc3-c3nc4ccccc4s3)cc2Cl)c1 524249834 HXWHCOQZPVPQHQ-UHFFFAOYSA-N 497.967 6.110 30 20 JKED O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1cccc(COCC(F)(F)C(F)F)c1 524383503 HBLKSZPBBBXKPI-UHFFFAOYSA-N 463.346 5.062 30 20 JKED Cc1nc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1C#N 603563365 HKWXNYXGAYZCJD-INIZCTEOSA-N 473.385 5.518 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 603759201 XSKXAGFJUXDJTB-UHFFFAOYSA-N 499.514 5.791 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)C2)c1 603783859 MZPNXROQZRVQQX-QFIPXVFZSA-N 468.557 5.162 30 20 JKED CCOc1cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OC(F)F 603828885 APGCZFMNLNQSMS-UHFFFAOYSA-N 454.433 5.067 30 20 JKED CN(Cc1cc(Br)cs1)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603904725 RISXKMGKNSIRRL-UHFFFAOYSA-N 488.432 5.277 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c12 603995952 UBJDZTKXBMMIBN-UHFFFAOYSA-N 492.583 5.748 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nnc5ccccn45)CC3)cc2Cl)cc1 604088394 QNBACHRIPGZEAA-UHFFFAOYSA-N 472.936 5.458 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc(OC)c1OC 609008121 PBRYYQMXEVVMEO-CYBMUJFWSA-N 484.883 5.594 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSc3nnc(-c4ccc5ccccc5c4)o3)cc2)c1 609063768 KYBFEVLSGSOLDM-UHFFFAOYSA-N 492.560 6.071 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c12 609378538 UCNUKCUUXPFXOI-UHFFFAOYSA-N 495.530 6.221 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804800 XGMANOMISLDYTB-ITGUQSILSA-N 450.345 5.756 30 20 JKED Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2nc(C(F)(F)F)ccc12 618303694 ONTUJZCTVCQDQR-IUCAKERBSA-N 464.353 5.826 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)CCC(F)(F)F)c1 623059361 ATHKMLXLPXIHIZ-UHFFFAOYSA-N 474.932 5.136 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 623256061 LZKPYDSFLVDMGY-JZYVYDRUSA-N 492.317 5.065 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 642501854 SDKFVUASBKKKNZ-QZTJIDSGSA-N 471.623 5.389 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)n2)cc1 726325069 LUGOBPJARQLXLL-BBHUYCHWSA-N 479.646 5.640 30 20 JKED Cc1nc(/C=C/c2csc(-c3ccccn3)n2)sc1C(=O)/C=C\c1csc(-c2ccccn2)n1 726849013 VYKSBYJQCYBHRM-PNQPDEHRSA-N 499.646 6.555 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(OC)c(Cl)c1 726893110 XTGVUBUKFJDUBR-QGZVFWFLSA-N 496.814 5.091 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 727591693 BMPLXICUUZCKFL-UHFFFAOYSA-N 461.610 5.207 30 20 JKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccccc3I)cs2)cc1 727779950 CPMIQPZLLGNEKT-WDZFZDKYSA-N 477.323 5.231 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1 727953402 ICIRBEPBNQXVBS-FQEVSTJZSA-N 454.954 5.259 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 729039347 NNMNQEAZPWALOD-UHFFFAOYSA-N 492.620 5.557 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 729667558 KOZLMXGJRKAVJI-UHFFFAOYSA-O 478.377 5.274 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 729668351 HVSCAUPUMYELSB-UHFFFAOYSA-O 499.612 5.612 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1)c1nc2ccccc2s1 730684989 DXSZBDWUKAAXCO-KSFYIVLOSA-N 481.346 6.194 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730723644 HFCIWEVXNDCGIZ-QFIPXVFZSA-N 490.972 5.642 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 746697609 HXFJUEDDHSXVNH-HXUWFJFHSA-N 459.999 5.117 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCOC(C)(C)C)C2=O)c1 746697949 QLTIWTVACGMJRH-HXUWFJFHSA-N 490.025 5.124 30 20 JKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)cc1 747127372 SLZGRMPXKLIREL-QINSGFPZSA-N 480.568 5.078 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CCc3nccs3)C2=O)c1 747601260 FDVIDIGLDGRBHW-OAQYLSRUSA-N 492.670 5.580 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 747803118 HSCGFZNSMDSDPI-NZQKXSOJSA-N 452.599 5.463 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(SC(F)F)cc1 799210382 RGKGZAYWKYAUSO-MRXNPFEDSA-N 471.501 5.260 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1cccc2ccccc12 799211784 PLJRLQDVCUMAPU-IBGZPJMESA-N 475.467 5.502 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC)cc1 799222360 WNANNTLZHXNCOW-KRWDZBQOSA-N 466.390 5.372 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(Cl)cc1 807675351 GFMOYCSDQMLJLX-GOSISDBHSA-N 480.018 5.710 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@@H](C)c2ccccn2)c1 837381252 FRCZMIORKCKWOD-HTAPYJJXSA-N 489.557 5.020 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1C#N 857846125 HJJPCDVZFOGSFV-HOTGVXAUSA-N 459.571 5.128 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 914498701 RIZDSRGYTAWCJZ-UHFFFAOYSA-N 494.016 5.015 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)[C@@H](C#N)c4nc(-c5ccccc5)cs4)CC3)c2c1C 915101961 LHYYWAGLSPASIX-LJQANCHMSA-N 473.627 5.525 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 915352400 HPRRFEPLAHJRGC-MHZLTWQESA-N 454.574 5.090 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=S)Nc2ccc(C)cc2C)cs1 915912413 HFOSJQHVLOKWPJ-UHFFFAOYSA-N 491.564 5.784 30 20 JKED CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1cc2c(ccc3ccccc32)o1 915927436 PWXVGZCXBPAALX-UHFFFAOYSA-N 469.570 5.094 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1-c1ccc(F)cc1 916057764 WLNXKMXRYPFOGY-QFIPXVFZSA-N 491.975 5.972 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccccn3)C2=O)cc1 916211966 SLXRBKKBNDMWKE-JOCHJYFZSA-N 492.988 5.098 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccco3)C2=O)cc1OC 916215571 ISSMCODXCARIQA-HSZRJFAPSA-N 493.585 5.074 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1 916932628 ZZGSZZRQCQTAHU-OAHLLOKOSA-N 465.358 5.023 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3cnc(-c4ccccc4)nc3)cc2)cc1 917145275 PQZWKPXCQWGOAO-SXGWCWSVSA-N 455.539 5.149 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)cs1 917532210 NXOAJGKUYILXRB-UHFFFAOYSA-N 484.006 5.014 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(Br)cc2)cs1 917558165 MBFBLAIDIYBIQF-FLIBITNWSA-N 461.768 6.140 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 917668553 BNGJWZZZCORGCV-RUZDIDTESA-N 476.561 6.276 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2c(F)cccc2F)C1=O 917675690 WHFSWPJUGJTLOM-HSZRJFAPSA-N 495.551 5.176 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)n2)cc1 920143085 DVLLJVNGLMGFOA-DLBZAZTESA-N 486.380 5.355 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCc3c(Cl)cccc32)cc1 920171227 TUAGBULTMCKDQK-FGZHOGPDSA-N 484.021 5.026 30 20 JKED COc1ccc(OCc2nc(C=Nn3cnnc3SCc3ccc(Cl)cc3)cs2)cc1 920368773 OGOAQWPTXPZDSL-UHFFFAOYSA-N 471.995 5.150 30 20 JKED Cc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(Br)c1 920806976 VDHITOFZAWIYFA-OLZOCXBDSA-N 477.330 5.803 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(C)cs3)n2-c2ccc(Cl)cc2)c1 921250118 PCQFMOFINZUEHC-LJQANCHMSA-N 480.018 5.630 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C#N)cc1Cl)C2 1781929827 AZMZWLYXPQRCPP-YIXXDRMTSA-N 488.072 5.336 30 20 JKED CC(C)(C)CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)nc3C(F)(F)F)CCC2)cc1 1787657141 UXKYHRIHARDGTE-UHFFFAOYSA-N 458.484 5.156 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CCC1 1788896557 CXWQWQKQYHIJKE-UHFFFAOYSA-N 456.542 5.097 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccn5cn4)cc3)CCC2)c1 1789097422 RIEAVGDYGWXFQQ-LJQANCHMSA-N 463.541 5.023 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cccnc5n4)cc3)CCC2)c1 1789246575 JFILMNJREYNBNQ-IBGZPJMESA-N 475.552 5.318 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1 1790206179 ZHZMIADMRPYZJI-UHFFFAOYSA-N 457.046 5.732 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc(Br)c3OC)cc2)CCC1 1790634001 VAGHVNQCWLTWAD-UHFFFAOYSA-N 489.435 5.125 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)c(Cl)cc3F)cc2)CCC1 1790743177 KVMHROMSGUEDQG-UHFFFAOYSA-N 478.749 5.293 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ncsc5[nH]4)CCC3)cc2)c(Cl)c1 1790767958 UJKMPDYKRSWCMX-UHFFFAOYSA-N 475.961 5.211 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CCC2)cc1 1791726218 IGLKOHXSRKVEMH-UHFFFAOYSA-N 469.626 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c[nH]nc45)CCC3)cc2)c1 1792123525 GPICYMUOXWIOIR-SFHVURJKSA-N 463.541 5.251 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)c1 1792124214 PLOMFSNLULUNPY-FQEVSTJZSA-N 478.552 5.012 30 20 JKED C/C(=C\c1cccnc1)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168576 ABPQDSUQPVPZIC-LTGZKZEYSA-N 494.595 5.592 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4cccnc4)CCC3)cc2)cc1C#N 1792168731 GCSIVUNSUCYOQV-UHFFFAOYSA-N 496.611 5.511 30 20 JKED N#Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)cc1 1792635544 MVOWHDABYTZDKV-ZKHWXBFQSA-N 490.047 5.366 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3cccc(C(F)(F)F)c3)[nH]n1)C2 1798332780 DXNVRVXSJCVMCD-WOZUAGRISA-N 486.538 5.116 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C2 1798594404 FJLPEFUTDCUHIL-WIYBCGNWSA-N 473.455 5.183 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccc(Cl)cc4)no2)C3)c1Cl 1799303044 WROAHPVNAZUQBN-REPLKXPHSA-N 495.366 5.086 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1802503080 PZFDGAXGSMCDDB-NFBKMPQASA-N 454.014 5.355 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)c(F)c4)C3)CC2)c(Cl)c1 1805220248 WRYIRIBWQMXLMM-UHFFFAOYSA-N 488.390 5.092 30 20 JKED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@@H]2c2cccnc2)CC1 1806841587 KHDIHIYHBSSQLQ-QFLVKRMUSA-N 491.035 5.019 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(F)c(F)c3)CC2)[C@@H]1c1cccnc1 1807334202 QUWZIYMGUHKGOP-YKSBVNFPSA-N 481.587 5.090 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(F)c2)[C@H]1c1cccnc1 1807878787 CYOOHLUEBGAEFH-RBJSKKJNSA-N 498.602 5.371 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3csc4c3CCCC4)[C@H]2c2cccnc2)c1 1809786925 LGPRHKHFKDSDOJ-VQEMNGCCSA-N 498.652 5.282 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3cnccc3c2)[C@H]1c1cccnc1 1810273221 VCEQBPKSHNZGOG-XCZPVHLTSA-N 498.703 5.001 30 20 JKED Cc1ccc(C)c(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810276091 DNQZYTQYHAKAFG-SHQCIBLASA-N 475.709 5.069 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1)c1ccccc1 1810446801 HYTHFCYFAFSAJD-REPIGRLZSA-N 483.656 5.255 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811418841 BICJGAWQZKYBHT-GJZUVCINSA-N 495.067 5.923 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3c(Cl)cccc3Cl)[C@H]2c2cccnc2)c1 1811714514 DIZOEMUXKZPMCA-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3c(F)c(F)ccc3c2)[C@H]1c1cccnc1 1812241578 STJMFOUJAHBXCX-NBGIEHNGSA-N 492.570 5.220 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1813864106 UVRILLKYKMECCQ-YABFEGCQSA-N 498.652 5.209 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1813970997 ITSSPEQJNQUUTC-XMSQKQJNSA-N 491.529 5.552 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)cc1 1814046715 CQVCRVALAFHPGM-ITFDSAROSA-N 484.644 5.227 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814379626 IHHSGUHCPVBYQL-XMMPIXPASA-N 487.629 5.007 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CSC2CCCC2)n[nH]1 1815185950 GIXUZHQRRRSLPR-NRFANRHFSA-N 474.747 5.129 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815587886 PZYJDQXZZLZVSD-AZGAKELHSA-N 489.664 5.082 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c1 1815790778 CDEZXKHMMXNVQP-GYRHIBLQSA-N 492.583 5.537 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCCCC3)n[nH]2)cc(C(F)(F)F)c1 1816708860 PTEIUADXEGRADO-HXUWFJFHSA-N 473.499 5.186 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817745690 YWQIIWCFGUTHKM-OAQYLSRUSA-N 479.531 5.297 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4c(C)snc4s3)n[nH]2)c1 1817831008 UINOHLAKKJBAMQ-LJQANCHMSA-N 490.614 5.189 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)n[nH]1 1818433705 KSIAQUBPKQNXKL-HXUWFJFHSA-N 492.967 5.106 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4cc5ccccc5o4)sc3C2)c1 1818631722 VTVVZFZXUVPKAN-QYFOZDBKSA-N 496.592 5.019 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)n[nH]2)C1 1818984792 AXEVYJXYJKDJLK-HXUWFJFHSA-N 471.483 5.182 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Cn3ccnc3)cc2)[nH]n1 1819303403 HPBWOCDXSBUJBD-XOPPCCJWSA-N 498.631 5.128 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1819308949 JAEDQOMYLCMEGJ-GBXCKJPGSA-N 497.599 6.225 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1819365785 RVNAQIWAKWBBII-UPVQGACJSA-N 488.588 5.081 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093694 OTRSQOZQNSNOFS-XXBNENTESA-N 493.658 5.433 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c1Cl 1820220965 KSTKMLLTXBMMKQ-JIYIMXKPSA-N 465.985 5.067 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)s1 1820551016 DYTFRYVPJOJSQH-HXUWFJFHSA-N 476.606 5.090 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c(Cl)c1 1821304709 SROXJHLJDCBXDW-QHCPKHFHSA-N 473.964 5.432 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3N3CCCCC3)n[nH]2)cc1 1821307979 FKUQNHVLNSJKQL-SANMLTNESA-N 496.615 5.086 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4ccoc4c3)n[nH]2)c1 1821462143 UOGHMNQNRBQRBA-GAJHUEQPSA-N 467.529 5.403 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1821746101 GACWWOVPHGKZOR-WFTVZMDTSA-N 497.599 5.018 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCc2ccc(F)c(Br)c2)n[nH]1 1821780407 OBRBVRRXLBXFEI-FQEVSTJZSA-N 491.405 5.293 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cc(Cl)ccc3Cl)n[nH]2)C1 1821789671 CCDGYFNGSRLNCA-HXUWFJFHSA-N 461.393 5.308 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)[nH]n2)c1 1823211481 MLYYAZBUJFTGGK-YWZLYKJASA-N 482.009 5.300 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCCCCCC(=O)OC)n[nH]1 1823533838 UUUBAEFOXISOHT-HSZRJFAPSA-N 486.657 5.279 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)oc2ccccc12 1823811253 BKGIACNSYPJLDH-RUZDIDTESA-N 469.585 5.089 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1824051909 YEFOHIJBPZBNTO-VPYPWEPUSA-N 487.644 5.359 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 1824055743 CUJZDHUZRVOGJF-DEOSSOPVSA-N 495.570 5.026 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1824322781 FDKCVGBBRIEYPJ-CUNXSJBXSA-N 487.644 5.188 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1Cl 1824537587 DKKDTBFNLQCLAU-GGAORHGYSA-N 481.102 5.315 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1824539682 UUXYUXNEWXFCRO-ICSRJNTNSA-N 474.564 5.032 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1825574430 ABYVLMCMQCWCMV-MHZLTWQESA-N 484.575 5.240 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330757 YTLJBSSESOKZKV-AMGIVPHBSA-N 490.648 5.091 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1)C(F)(F)F 1827337183 TZBKPLGRYSHDIZ-HSZRJFAPSA-N 485.550 5.409 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(Cl)s2)CC3)c1 1827693552 JMWKDPGORTYMQM-IUODEOHRSA-N 471.007 5.025 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c1 1828676048 PYEWCHABDLTUIR-UQBPGWFLSA-N 486.641 5.470 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cnc2C)CC1 1828822929 NUBHREYMPMBMFC-GGAORHGYSA-N 488.470 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1828824622 NERBRQYTADHRRK-DENIHFKCSA-N 486.081 5.951 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2SCC)CC1 1828827851 XKIALLNVVLRBBE-YADHBBJMSA-N 455.668 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1829066562 JKLPHVYVJGQKFV-FQEVSTJZSA-N 468.560 5.833 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 1829068436 WCNKPKGQGOAQJS-AREMUKBSSA-N 463.666 5.333 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=Cc3ccccc3NC(=O)C2)CC1 1829069215 QUFIVZFVOZUKBH-RUZDIDTESA-N 477.649 5.024 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1C 1830673780 ZEDCQBWTSABEIZ-JJNABOQBSA-N 494.657 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(NC(C)=O)c2)CC1 1830689783 RHUGOJVGDNDKFF-RUZDIDTESA-N 467.654 5.179 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)c(Cl)c1 1830722395 HGRRVOFJHPKYJW-QHCPKHFHSA-N 489.925 5.176 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830750577 HPUZNOHWOOPDRE-KMRXNPHXSA-N 469.629 5.738 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1)C(F)(F)F 1830977334 CSKKGZZTHSPGJY-QFIPXVFZSA-N 499.533 5.780 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1831377101 BPYGTWIFVAHGGK-YKSBVNFPSA-N 467.654 5.117 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832715049 NHPNCYDNMFGSMC-IBGZPJMESA-N 477.354 5.577 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1832827292 XIHWKGROZOIGEV-XMMPIXPASA-N 473.642 5.543 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCCCCCC(=O)OC)CC1 1832932996 ZWFYNXKTSQASLX-XMMPIXPASA-N 462.675 5.256 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832962250 PSSRKSPIQNTGKC-HSBSSIIGSA-N 459.634 5.303 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc4ccccc34)CC2)CC1 1835816020 NIYRVPKBOYTKCM-UHFFFAOYSA-N 461.650 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)CC1 1837712033 QWWIYMGTQGTKQC-UHFFFAOYSA-N 494.598 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)CC1 1838289378 JDABSGRYJVDCLT-KVVRFYPFSA-N 470.698 5.360 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)CC1 1838424435 HDISFHIQWQAPIX-UHFFFAOYSA-N 486.056 5.426 30 20 JKED C=CCOCCCC(=O)N1CCCC12CN(C(=O)CCCCCCCCc1ccccc1)C2 1841606749 WSQACOQBBGKKBJ-UHFFFAOYSA-N 454.655 5.146 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccccc3)cc2)C1 1845312944 CDSGSRRSNAVKIW-UHFFFAOYSA-N 474.677 5.347 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCC(=O)N[C@@](C)(C#N)C2CC2)cc1 9456935 JPRZCAUTONUGKT-MXSDBGSPSA-N 486.641 5.404 30 20 JKED CC(C)Cn1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl 9847687 JACYPEDZDUYIPN-LHSJRXKWSA-N 468.454 5.443 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)c1 10172545 UTFHPQKVPPXHKN-UHFFFAOYSA-O 451.562 5.799 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2sc(-c3ccccc3)cc2c1=O 10813345 FGYDNMPUVONUNK-INIZCTEOSA-N 472.595 5.302 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C(C)C)n2Cc2ccco2)n(Cc2ccccc2)c1C 10934939 SMILOGPLMAEWHG-UHFFFAOYSA-N 488.617 5.112 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1cccc(C)c1 11268343 FZGRQRIKJSKHPK-UHFFFAOYSA-O 454.413 5.658 30 20 JKED CN(C)c1ccc(/C=C2\N=C(SC[C@@H](C#N)CCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 15237883 QYJNWHPTVZSDJU-QWQBBLJPSA-N 495.555 5.274 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 16013840 QIVYHFJLNBBFEZ-UHFFFAOYSA-N 484.948 5.947 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)n(Cc2ccccc2)c1C 16687578 AUFPYDXHJBASPK-UHFFFAOYSA-N 491.020 5.205 30 20 JKED C=CCn1c(SCc2cc(=O)n3c(C)cccc3n2)nc2sc(-c3ccccc3)c(C)c2c1=O 17131683 VSHYXZXIXWLRNX-UHFFFAOYSA-N 486.622 5.228 30 20 JKED CC(C)n1ncc2c(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(C3CC3)nc21 18598683 ZGQFJKBPYPNOIU-HNNXBMFYSA-N 491.617 5.276 30 20 JKED COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COc2ccc(C#N)cc2Cl)cc1OC 18963633 MYKOCVHISXBIFD-LJQANCHMSA-N 481.961 5.047 30 20 JKED C=CCN(CC(=O)Nc1c(Br)cc(C)cc1Br)Cc1cccs1 19540482 MZTRGYSWKKLQSJ-UHFFFAOYSA-N 458.219 5.208 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C 22054882 TWAMPJAEYPKNFR-KRWDZBQOSA-N 499.036 5.142 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(OC)cc1 22095028 PKDJGOVWAUTSFM-AWEZNQCLSA-N 462.497 5.278 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 22730131 WGMWMYSBAAYDTK-UHFFFAOYSA-O 467.614 6.688 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 22731718 HUIBSWWVPABJDV-UHFFFAOYSA-O 459.513 5.794 30 20 JKED N#Cc1ccc(NC(=O)CNc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1Cl 72037259 ZPJPCSSVLFWMJR-UHFFFAOYSA-N 462.815 5.126 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)nnc1-c1ccncc1 255929413 CBUDLKMEGQLYIR-UHFFFAOYSA-N 476.631 5.333 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 303228389 WZIMOSNWUPGSCO-UHFFFAOYSA-N 486.959 6.111 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(Cl)cc1 410294570 ZTGUOSHQGOGPAZ-MRXNPFEDSA-N 496.061 5.878 30 20 JKED CN(Cc1cccc(Br)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481714952 WNJDMOQIYSQTNT-UHFFFAOYSA-N 468.326 5.703 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(=O)n(Cc4ccccc4Cl)c3)c2)cc1 482908890 SQWAFQMNRZRUQF-UHFFFAOYSA-N 455.901 5.466 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)c2C#N)C1 496865586 PWMWWFAZULXIPE-MRXNPFEDSA-N 485.600 5.540 30 20 JKED C=CCn1c(SCC(=O)Nc2cnccc2Oc2ccccc2)nnc1-c1ccc(Cl)cc1 499625294 JKBXBUIYWZRYDG-UHFFFAOYSA-N 477.977 5.703 30 20 JKED Cc1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1-c1ccccc1C(C)C 503065349 LRKOZVVEVJESHY-UHFFFAOYSA-N 465.557 5.597 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C#N)C1 503069929 BAWGZGLJKUEXCN-IFXJQAMLSA-N 499.036 5.268 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 505442735 XFFTZHKTOSZFBT-UHFFFAOYSA-N 467.594 6.210 30 20 JKED C=CCn1c(SC[C@H](O)COCc2cccs2)nc2sc(-c3ccccc3)c(C)c2c1=O 508597586 XOKWGVSRTFTPST-GOSISDBHSA-N 484.668 5.351 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1 509951869 AIVJSUUZTMLZLS-DEOSSOPVSA-N 463.921 5.618 30 20 JKED N#Cc1c(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)sc2c1-c1ccccc1CC2 511210876 CVGPKDOWCMPGRY-UHFFFAOYSA-N 469.522 5.248 30 20 JKED COc1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 511657092 PPUIMOPBEQUBSU-QGZVFWFLSA-N 455.829 5.183 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 513093097 WCGVTLJWTCOVPQ-SFHVURJKSA-N 460.375 5.244 30 20 JKED Cc1nc(O)cc(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)n1 513982697 HIECOSUQWBTJPU-UHFFFAOYSA-N 467.504 5.403 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 514297487 OXSNKQUZAAKSHK-KRWDZBQOSA-N 473.989 5.638 30 20 JKED C=CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1F 514874395 YDXRGXJIULHOQA-UHFFFAOYSA-N 466.441 5.081 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 515274263 MODOQOAVONJDCP-JOCHJYFZSA-N 462.937 5.159 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccccc2)cs1 515543147 OCXROERDNSWIQK-OAQYLSRUSA-N 455.539 5.229 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3NC(=O)c3cccs3)n2)cc1 516714234 WLASDLRUSRROFB-GOSISDBHSA-N 459.552 5.623 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 518554152 OWGXEQLMNZXMCU-UHFFFAOYSA-N 485.462 5.223 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SCCC#N)nnc1-c1ccc(Cl)cc1 521715743 DBHMESXVLRCLSX-UHFFFAOYSA-N 470.023 5.521 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1 522232896 ANJQZONTZSYGPD-HSZRJFAPSA-N 467.529 5.913 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2ccccc2Cl)cc1 522450595 BLSGMTICZGKDMH-MRXNPFEDSA-N 463.921 5.171 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2csc(Br)c2)cc1 522471096 CGNQQZCPGLHLEI-UHFFFAOYSA-N 458.356 5.433 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 560742397 CQZIAQYRXWAQOI-UHFFFAOYSA-N 492.583 5.642 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@H]1CCN(c2ccc(C#N)cc2)C1=O 589698935 AQONDMUFLBDPFH-QFIPXVFZSA-N 496.036 5.641 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)nnc1-c1ccccc1 590612690 FJLGUFVLTHBQSD-UHFFFAOYSA-N 486.601 5.183 30 20 JKED Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 602092968 CBQHFSJLJSMXHU-UHFFFAOYSA-N 470.598 5.450 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 603600814 AGDGBCZWBSHODB-UHFFFAOYSA-N 497.864 6.164 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(CCN3CCCC3)cc2)c1 604440772 REVHMVDGEAPVLW-UHFFFAOYSA-N 484.625 5.180 30 20 JKED C[C@@H](CNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1c(Cl)cccc1Cl 608798000 AKQCBQJHXATZFD-INIZCTEOSA-N 482.367 5.302 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)cn2)cc1 608938221 WNGABXDLMBEFTG-ZODMCCGTSA-N 466.541 5.158 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3sc4cccc(F)c4c3COc3ccccc3)CC2)nc1 608951157 UVDBMUSBWSGWBT-UHFFFAOYSA-N 486.572 5.285 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 609404254 NKFGSXYOFMJFLA-JOCHJYFZSA-N 470.038 5.592 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609436805 UYZDLMLJVLUQJG-KOSHJBKYSA-N 463.578 6.334 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346474 KNIWIBRWAGXKKO-OAHLLOKOSA-N 490.799 6.387 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccccc2)cs1 613392554 UJRFNNYQAHWRKX-QFIPXVFZSA-N 463.518 5.096 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1nc2ccccc2o1 614439868 RJHQIBQCJKWNJH-QGZVFWFLSA-N 461.319 5.145 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622092788 DKJTWCRVJBXYRQ-GHMZBOCLSA-N 479.234 5.639 30 20 JKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cnn(-c2ccncc2)c1C(F)F 622485110 DVKLPECCOQVOEW-OAHLLOKOSA-N 464.316 5.257 30 20 JKED C=CCn1c(S[C@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)nnc1-c1cccc(C)c1 639428706 YILXEDKHVFUIOV-GMAHTHKFSA-N 462.619 5.196 30 20 JKED O=C(CCCc1nc(-c2ccc(F)cc2)no1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642380293 KSYRNDROWSPXML-STQMWFEESA-N 467.385 5.224 30 20 JKED C=CCn1c(SCC(=O)N(CCC)CC(F)(F)F)nnc1-c1ccc(Cl)cc1Cl 643176196 UJIVPYHFUTUCGO-UHFFFAOYSA-N 467.344 5.331 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1c(C)cccc1C 726393924 RUDHDZLGXXGOOR-UNMCSNQZSA-N 467.635 5.306 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/[C@H](C)c1cccs1 726422196 UDEUZMOWPNYTQS-BTPDRGKMSA-N 473.664 5.037 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726572752 MOUYNRAITCWEFU-UHFFFAOYSA-O 469.674 6.874 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2NC(C)=O)ccc1Cl 727714918 CYHDWORBCFWMHN-UHFFFAOYSA-N 498.004 5.240 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 728427899 UVHUVPXGEKIWGZ-SBUREZEXSA-N 487.560 5.122 30 20 JKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccc(F)c(C#N)c1 728578784 UKUGPONEILOYHR-UHFFFAOYSA-N 460.486 5.179 30 20 JKED Cc1occc1-c1nn(CN2CCCN(c3ccccc3C#N)CC2)c(=S)n1-c1ccccc1 728708516 CLHHYFMASJCRRF-UHFFFAOYSA-N 470.602 5.013 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCCCC#N)C1=O 728776697 DNXQMRVJZRNMSX-QFIPXVFZSA-N 499.036 5.620 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)c1 728777139 JAAYAMYWQWSBBX-HXUWFJFHSA-N 470.982 5.003 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(CCCCC#N)C1=O 728777392 KTWJJZALTPYNTH-HSZRJFAPSA-N 478.618 5.473 30 20 JKED CCn1c(-c2cc(-c3ccc(C)cc3)nc3ccccc23)nn(CN(C)[C@@H](C)CC#N)c1=S 728901915 DWMZTBAQRLUMRK-IBGZPJMESA-N 456.619 5.816 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1scnc1C 729144127 BXBOIZDVGVSHEH-FQEVSTJZSA-N 464.616 5.174 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cc(F)ccc2F)C1=O)NC1CC1 729631999 XAGHCQVGRBKZOT-GOSISDBHSA-N 497.539 5.080 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)NC2CCCCC2)cc1 729670024 KJSBZLGYSOFVMD-UHFFFAOYSA-O 457.616 5.118 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(C#N)cc3F)C2=O)c1 729818740 FZJXDYBKUOUIBX-XMMPIXPASA-N 486.572 5.475 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730459193 IIKFERUFSWKXER-GOSISDBHSA-N 466.365 5.645 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(C3CCC3)C2=O)c(OC)c1 730461678 GRUZGFVNPNWDCV-QHCPKHFHSA-N 481.618 5.340 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cocn3)C2=O)cc1 730721021 YECFFTNRZUJFOS-NRFANRHFSA-N 498.992 5.277 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943283 BIGQUCUSPYKPOR-GAJHUEQPSA-N 492.576 5.341 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 730996193 WEHPBADOCXHPIL-YFHOEESVSA-N 487.547 5.602 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 731059721 KUHFKYXUZOXMSI-OAHLLOKOSA-N 493.635 6.072 30 20 JKED Cc1ccc(O[C@H](C)C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(Br)c1 731073386 VXBXPDFFDBNHJB-HZPDHXFCSA-N 491.407 5.101 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)c(F)c2)c1 731307383 FSDLDONNIPBNQL-HSZRJFAPSA-N 493.560 5.009 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c1 747600145 NUSQLENWOODYAC-HXUWFJFHSA-N 482.606 5.102 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCOc3ccccc32)c1 749822415 RYGROLXZTWOLAL-XMMPIXPASA-N 497.016 5.365 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cnn(Cc2ccccc2Cl)c1 767034988 ZFNBGMDGHFMOED-UHFFFAOYSA-N 458.978 5.091 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(CC(F)(F)F)C1=O 799223346 HXKGYXHKSYZVHK-KRWDZBQOSA-N 499.942 5.488 30 20 JKED C[C@H](OC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 826075082 ORRGKFCPFFKKDU-AOMKIAJQSA-N 462.596 5.512 30 20 JKED COc1ccccc1/C=C(\C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 827608431 MUUROJRACTXKMQ-VKZJTJHYSA-N 472.566 5.228 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N([C@H](C)c2ccccn2)C1=O 837404304 ZPDGMAXZWGBTFT-DVECYGJZSA-N 488.613 5.429 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3cccnc3)C2=O)c1 837835257 FAJZYUJCIWPXQU-WZONZLPQSA-N 474.586 5.120 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837838613 WVSXVFMACZRDSE-AUSIDOKSSA-N 458.587 5.420 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 914680093 MMJYPCKIJPJZKH-HNNXBMFYSA-N 475.492 5.424 30 20 JKED COc1cc(C=NNc2cccc3ncccc23)ccc1OCC(=O)Nc1ccccc1Cl 915964797 OWQQUKZPODKHET-UHFFFAOYSA-N 460.921 5.360 30 20 JKED C=CCc1cc(C(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc(OC)c1OC 916073818 GTJYRWUYAODVCR-GOSISDBHSA-N 476.548 5.244 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(Cl)c2)C1=O 916204898 JYYBDXJDHHRAGG-JOCHJYFZSA-N 479.989 5.509 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(OC)c1 916205350 GKPRMYKAJTXVHR-QFIPXVFZSA-N 467.591 5.048 30 20 JKED CCOc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc(Cl)c1O 916272715 JGBKRRDHANSICD-UHFFFAOYSA-N 474.369 5.727 30 20 JKED CCOc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1OC(F)F 916277166 VPSAXRITYMUUPT-UHFFFAOYSA-N 459.305 5.423 30 20 JKED Cc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 916306165 CPJPFIBWAPMYPZ-UHFFFAOYSA-N 484.335 5.355 30 20 JKED COC(=O)c1ccccc1-c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)o1 916546429 QNPRIMZXKJJNNO-UHFFFAOYSA-N 452.923 5.153 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888158 SGDHRKRAXVFIJW-BZNIZROVSA-N 485.375 5.592 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CSc1cc(Cl)ccc1Cl 916902868 LHMBPEWXYHDPLR-GFCCVEGCSA-N 457.766 5.404 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc(C3CC3)nc21 916907386 YLEBFEDRISCBGM-NRFANRHFSA-N 479.540 5.643 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccccc2Br)cc1 916924359 CBMDXNIZRCNBAL-IBGZPJMESA-N 493.357 5.388 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 916927019 COIGBQKSHNQWGG-HDMKZQKVSA-N 472.372 5.207 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997823 YPXRUOMCJACKBF-INIZCTEOSA-N 467.337 6.171 30 20 JKED COc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)cc1 917613749 SGMACLRTHOHOCQ-UHFFFAOYSA-O 478.597 5.768 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2C)n1 917665312 CELCYOUJVVCJNF-OAQYLSRUSA-N 497.983 5.046 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C#N 917703055 LBNYEJJQWHKFGD-HXUWFJFHSA-N 488.535 5.728 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917875710 ADJMGKWPTUFVEP-DEOSSOPVSA-N 457.917 5.907 30 20 JKED COc1cc(/C=C(\C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c2ccccc2)ccc1O 919171165 WNRZLEOAJIDPAI-KQWNVCNZSA-N 480.520 5.236 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920140112 BULRXGWAWLNUAJ-JOCHJYFZSA-N 468.538 5.285 30 20 JKED Cc1ccc(OCc2ccc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)o2)c(C)c1 920586286 JKUWHLHDRNEDEC-MRXNPFEDSA-N 464.543 5.081 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 920783581 PGCDNYQUUPMDLR-SVBPBHIXSA-N 455.558 5.564 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)C1 1781676470 FMMJCSARAUSSEG-XVOBZGQLSA-N 487.084 5.362 30 20 JKED C[C@H](NNc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1785851523 LXZYOAXTSDUEJD-SFTDATJTSA-N 481.600 5.067 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3Cl)cc2)CCC1)C(F)(F)F 1785956830 CMJUAJVBWSFMGC-UHFFFAOYSA-N 482.886 5.223 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)CCC1 1786598950 IXLFQKZMWUGGEV-RORWEDLISA-N 487.522 5.654 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(Cl)s3)cc2)CCC1 1786733587 IABXQZCJFKDURH-UHFFFAOYSA-N 479.989 5.029 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1 1786904446 LRIHWLSBHKXFAG-HSZRJFAPSA-N 495.620 5.206 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1)NC(=O)OC(C)(C)C 1786915875 NUHOPBCJHFIKOY-JXVRESAISA-N 493.604 5.286 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)n(-c2ccccc2)n1 1788670184 MXOYHAPNQLBGFE-UHFFFAOYSA-N 493.542 5.253 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc2)CCC1 1788990682 ZAKXXXCXVRMLNP-KRWDZBQOSA-N 478.980 5.437 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)s1 1789508773 JIDWKKYICPYJRY-UHFFFAOYSA-N 467.711 5.559 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cc(Cl)sc3Cl)CCC2)cc1 1789514514 YILLCCLAMQLJHC-AFUMVMLFSA-N 479.433 5.274 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(C)c3C(F)(F)F)CCC2)cc1 1789624217 MCYJAHGUDYSXEP-UHFFFAOYSA-N 462.516 5.179 30 20 JKED COc1c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc2ccccc2c1Cl 1790092335 BEAVMKBMVHOQQL-UHFFFAOYSA-N 498.970 5.763 30 20 JKED Cc1cnc(Cl)c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)c1 1790765113 NVIGGYUCDMOOSU-UHFFFAOYSA-N 462.912 5.116 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790974879 OGYAYUYZJHCHSI-KRWDZBQOSA-N 463.965 5.227 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)CCC2)cc1 1791295913 BMHFAWRXCSTUKA-VXKWHMMOSA-N 454.517 5.144 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)c1 1792085861 NJXDCKWZZVFKHN-UHFFFAOYSA-N 489.959 5.047 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792240855 WPCGIHNMYBALKE-UHFFFAOYSA-N 497.473 5.305 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1798284958 HEFJVRIYIIKSNJ-CODKJTEISA-N 493.576 5.071 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Br)c1)C2 1798340090 LNABFLGSGLLLLP-XMTFNYHQSA-N 465.819 5.123 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800010263 FWLPCEQCAAYERE-SFNKJDCFSA-N 475.967 5.091 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCCCC1)C2)C(F)(F)F 1801703920 ROVRJYAZQHCOLK-ACDBMABISA-N 468.947 5.299 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1802376450 NGFODGWGGPVGNJ-LFAGZIFBSA-N 477.008 5.304 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1802500404 NHDTXHQSGMEHQH-RDPSFJRHSA-N 484.040 5.446 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(C)s2)[C@H]1c1cccnc1 1802502183 XRKDHIPCOJFNCQ-RAMPRORUSA-N 451.636 5.163 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccccc3)CCCC2)[C@H]1c1cccnc1 1802868446 ISVGQHAAWVTQQI-XNMGPUDCSA-N 471.645 5.368 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1803091049 KWOPIWOOFVVAHM-JYFHCDHNSA-N 496.051 5.610 30 20 JKED Cc1c(Cl)ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)c1Cl 1803683128 YVKARVCQIIHISZ-PPRPKMEESA-N 470.400 5.495 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)c1 1803899831 RDFKWBMSQOIALX-QDMKHBRRSA-N 480.754 5.223 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1)c1ccccc1 1806453615 KETFVLAGJYVFAB-VYLXUYPLSA-N 498.602 5.242 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)cc1 1808419693 UUAJVYRXPMUCDD-SGHYXFRMSA-N 487.625 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccccc3C(F)(F)F)C2)CC1 1809229153 DMNMCWAAHLEKRU-UHFFFAOYSA-N 464.572 5.472 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)CCCCCCCCc3ccccc3)CC2)C1 1809519654 RHHSVUXSIZWDJU-UHFFFAOYSA-N 451.655 5.495 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1810503112 ODXIZYFNVNQFKF-WMZHIEFXSA-N 499.011 5.264 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811530427 AVHWPOZJDKYRIW-UFHPHHKVSA-N 485.653 5.296 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811748956 GUQGCQNCFITFMS-UZUQRXQVSA-N 497.357 5.033 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1811790042 HRYHFYVQWLAUAC-FYYOVZQQSA-N 480.612 5.103 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cccc4c3oc3ccccc34)[C@@H]2c2cccnc2)C1 1812301277 AFZQIXRPSLMWLI-IBVKSMDESA-N 465.553 5.267 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1812958724 AGSSVQZUDHOLPC-DOEKTCAHSA-N 477.624 5.435 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c(Cl)c1 1812990068 BZCHKCBKSBEZTB-ATIYNZHBSA-N 499.014 5.048 30 20 JKED Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1Cl 1813827227 XBNQUWRYVWKYDX-NVQXNPDNSA-N 496.127 5.414 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(Cl)c(F)c3)n[nH]2)c1 1814674895 ZBRAGXGCWXIXRB-MWTRTKDXSA-N 493.970 5.378 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)sc2C1 1814711596 QEROZZFPLAHYHM-ZXAKCXJESA-N 490.673 5.202 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2Cl)N(C)C)[nH]n1 1814828284 FIDSQNYQTRUGMY-LADGPHEKSA-N 484.044 5.127 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4ncccc4c3)n[nH]2)c1Cl 1818478310 HWVPLXAFNWWZJG-QFIPXVFZSA-N 484.947 5.103 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818742416 ACYQGTSJDLVNKD-JOCHJYFZSA-N 465.985 5.619 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc[nH]c23)n[nH]1 1818771370 HMSRZUVPDCSNBX-JOCHJYFZSA-N 475.669 5.248 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1)NC(=O)OC(C)(C)C 1818810506 VJGWOXZTRRXWAQ-KCZVDYSFSA-N 499.656 5.008 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)sc2C1 1818931576 JWADMFQZFGVKDD-IUODEOHRSA-N 476.524 5.081 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1)c1ccccc1 1819518773 DJSWNJHZHKHVEG-IGKIAQTJSA-N 491.595 5.461 30 20 JKED CC#CC[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3nc(C)ccc3o1)CC2)c1ccccc1 1820028695 IQTFSLLOMXPALI-WOJBJXKFSA-N 498.608 5.016 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093690 OTRSQOZQNSNOFS-CVDCTZTESA-N 493.658 5.433 30 20 JKED N#Cc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4c5ccccc5n5ccsc45)sc3C2)c1 1821191913 XUVNMCXGQIVWRX-KRWDZBQOSA-N 497.605 5.022 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)c2[nH]1 1821277669 FQJHRXMOHJQUNT-QFIPXVFZSA-N 486.963 5.344 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2C)n[nH]1 1821287913 YKGZOCRAHNWTSK-LJQANCHMSA-N 471.533 5.064 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821609704 HMAWQGDSMNIAFU-JTSKRJEESA-N 472.545 5.206 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)c(C(F)(F)F)c2)n[nH]1 1821861185 LUUXVNVXGZGTJM-UTKZUKDTSA-N 492.517 5.571 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1821925235 ONXSMGVJSUHZGF-IFXJQAMLSA-N 462.953 5.119 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1821987352 QLEQXOULGWMOAK-SFHVURJKSA-N 483.544 5.394 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1)c1ccc(O)cc1 1822468890 DXFALWIXSXZKBO-WKJFVQFFSA-N 474.605 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c1 1823210281 BGJIFAQVRLTDKW-QRQCRPRQSA-N 479.943 5.449 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1C 1823210806 IQTLHZIGHUHHHB-CJFMBICVSA-N 469.589 5.202 30 20 JKED CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1824347477 YMUYTRBMGHYJJZ-HTAPYJJXSA-N 463.544 5.247 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1824537111 BWTDWUQJXARQHD-YADHBBJMSA-N 462.059 5.009 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1824542599 ZRWGKOQTVVKBRX-ICSRJNTNSA-N 475.457 5.320 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](c3ccccc3)N(CC)CC)sc2C1 1824758708 KYJSQFGXSDSCJY-OFNKIYASSA-N 482.694 5.131 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1824850856 RJXRXWSUDLFXLV-JTSKRJEESA-N 468.535 5.219 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824873599 CZRIXYRYHWLCOP-LJQANCHMSA-N 496.467 5.810 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1825541104 CCKCZCLKBFUXLY-TZIWHRDSSA-N 495.998 5.338 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)CC2 1826426397 AFZKXNJLTXTBKC-INIZCTEOSA-N 488.535 5.063 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccn4c3)CC2)c1 1827405820 LOPJWFKGSOZRIY-CYFREDJKSA-N 474.630 5.175 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1827516066 NIYHQWXXBXBZTN-JOCHJYFZSA-N 474.592 5.235 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827770095 VBONOBRSMTVIAV-OAQYLSRUSA-N 451.533 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827777879 MQWQUIOGXKLDDR-IBGZPJMESA-N 454.533 5.524 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c1 1828258917 SLXFENQQATYLTM-RUZDIDTESA-N 455.558 5.160 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c1 1828261547 PBBRAOUNHBEVJM-RXFWQSSRSA-N 469.585 5.607 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1828827575 XXNWIIRHVBEVKC-QUCCMNQESA-N 451.533 5.035 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2c(C)cccc2C)CC1 1829097852 IQIIPQQXXMWEJG-DEOSSOPVSA-N 454.680 5.209 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576929 VMXNJUGXPSDPRU-RCZVLFRGSA-N 495.714 5.637 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829692905 PJCMHJZEOPJYBA-XMSQKQJNSA-N 497.064 5.021 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)c(Cl)c1 1829864052 RSNFJDJPQPICSM-HXUWFJFHSA-N 460.361 5.005 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c(Cl)c1 1830579027 PZTDCPVEBSFIIK-HSZRJFAPSA-N 488.390 5.551 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1830626951 DKQUZXVGFLUAKI-HQNXYIODSA-N 489.582 5.355 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1830677983 BOKBACPNJOCPQW-AZGAKELHSA-N 460.622 5.078 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)c1 1830718375 HOKBZJUTCKVELQ-NDEPHWFRSA-N 496.586 5.306 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830771635 FRKBXAZHCCOQBJ-OZXSUGGESA-N 470.629 5.615 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059022 LRWXYNWZWPZQOW-CJFMBICVSA-N 474.601 5.410 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 1831852310 BTRRODLJXVFNCP-OAQYLSRUSA-N 497.836 5.278 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)cc1 1832554535 LUIWXSOWBSEAPL-MUUNZHRXSA-N 469.629 5.302 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 1832634025 HLPUGUNDUFXGJY-DYESRHJHSA-N 470.038 5.576 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)CC1 1832673200 MKSAOOALOFJZDC-QHCPKHFHSA-N 461.046 5.574 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1 1832707780 KOYIYLCMMFEYAG-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832715325 VAQVKNJCTHYBKU-JOCHJYFZSA-N 467.412 5.559 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1834464436 ZPEZOXDIODSNTB-XTBZXYEFSA-N 479.709 5.156 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)CC1 1838261749 LWVWJKVYXWCZOT-UHFFFAOYSA-N 487.084 5.363 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1846012481 BIANYVIBRSVIJZ-UHFFFAOYSA-N 476.523 5.661 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)s1 10170427 MVGXXMHNPFZHAV-UHFFFAOYSA-O 464.035 6.331 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1cccc(Br)c1 10756396 NKZSPCLZDDPIJM-UHFFFAOYSA-O 464.767 5.580 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2c(C)cccc2C)cc1 11153136 YHWVSLGRBHDXKQ-UHFFFAOYSA-O 458.434 6.511 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nc2ccccc2c1=O 15230993 DYHXBYLGKOUWIG-XMMPIXPASA-N 471.582 5.372 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 16772080 MURNWHFEFAWXQM-AWEZNQCLSA-N 455.971 5.227 30 20 JKED O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)c1ccc(-c2ccccc2Cl)o1 20631144 DSUHALIMSPSKMP-UHFFFAOYSA-N 471.966 5.103 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)c1ccccc1)c1ccccc1 21742087 VUKYHHGMUGSWBA-VWLOTQADSA-N 459.546 5.899 30 20 JKED C[C@@H](C#N)OC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 21750986 GXNDIZQZUSTEMX-INIZCTEOSA-N 489.380 5.458 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccccc2Cl)cc1 22730416 MPPRKFXGQBILSH-UHFFFAOYSA-O 458.072 6.952 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 23518824 VLLSDZPVTGUWRE-SJLPKXTDSA-N 472.611 5.088 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccoc1C 23519194 CAFLDZCLFAYBCM-CQSZACIVSA-N 461.385 5.223 30 20 JKED Cc1cccc(-n2c(SCC(=O)N(CCC#N)c3ccccc3)nnc2-c2ccccc2)c1 25748607 XTVVFGICASWTIJ-UHFFFAOYSA-N 453.571 5.282 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(Cl)cc1 27445033 CWURONZECUWCEP-LJQANCHMSA-N 492.029 5.877 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccccc2C)cc1 28695935 MZSYKZJZQRTIPC-UHFFFAOYSA-O 476.666 6.385 30 20 JKED C=CCn1c(SCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)nnc1-c1ccc(Cl)cc1 33783496 GBXJEFDNIXCLMT-UHFFFAOYSA-N 470.023 5.254 30 20 JKED N#CCCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 78668979 WYBPJUHEQZFISQ-UHFFFAOYSA-N 471.611 5.671 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cn2c1 195664257 UXOICYVGUHAWOW-LJQANCHMSA-N 472.957 5.975 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc2ccccc2c1 255899989 HLZDDSGCKYMAAP-DEOSSOPVSA-N 466.566 5.395 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(CC)cc1 255930396 HIRLONQGXBIZEX-MRXNPFEDSA-N 456.999 5.378 30 20 JKED Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2SCC#N)n1Cc1ccco1 301909174 ULQGDOYJVWRCCA-UHFFFAOYSA-N 475.599 5.241 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 481618977 BDTMMAHOEHXMCT-QGZVFWFLSA-N 463.509 5.566 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CN3CCC(C#N)CC3)c2C#N)C(C)(C)C1 488684644 RTHNRFLBWHXVFO-SNAWJCMRSA-N 476.671 5.942 30 20 JKED C=CCc1cc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc(OC)c1OC 497926957 DFNSWXJYZONJMK-UHFFFAOYSA-N 480.948 5.133 30 20 JKED Cc1cc(Sc2nnc(-c3cccnc3)n2Cc2ccccc2)n2c(nc3ccccc32)c1C#N 502106098 BSHNKXCKVCTXQM-UHFFFAOYSA-N 473.565 5.521 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 505609811 JFEAKXOQPUQAAS-HXUWFJFHSA-N 469.526 5.190 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)n2)cc1 506842244 JRZZCGDMLBIALS-FQEVSTJZSA-N 483.578 5.618 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)cc2Cl)cc1 510620493 VOQQMTAWIVSHKH-OAQYLSRUSA-N 451.910 5.810 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2CN2CCCC2)cc1 511359632 FNXWYFWRUUCHCL-UHFFFAOYSA-N 454.574 5.249 30 20 JKED CCc1cc(C#N)c(NC(=O)[C@@H](C)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)s1 515868228 BKRROEPRYNKEJB-GOSISDBHSA-N 497.642 5.030 30 20 JKED Cc1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1NC(=O)c1ccccc1F 518175140 SMOJSFYCGIHBIB-QGZVFWFLSA-N 463.921 6.140 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1 518249022 UEZWAEBHLDWTAK-GLDPYIMESA-N 451.636 6.046 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 520141314 SBORDAPGCWKKKI-UHFFFAOYSA-N 473.455 5.146 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 520150386 NGYPCNDZJVEEAI-UHFFFAOYSA-N 480.362 5.464 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OC1CCCC1 520931939 SPEHKZBWINNYMT-LJQANCHMSA-N 499.567 5.496 30 20 JKED COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 520960881 YHCCMBCSGXMOFB-MRXNPFEDSA-N 467.928 5.228 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 521194730 SJDHTLFMYYFCGW-UHFFFAOYSA-N 482.367 5.431 30 20 JKED CCCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H](C)c1ccccc1OC 521220925 WUHJUPBJQAYEQG-MRXNPFEDSA-N 467.620 5.716 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OCc1cscn1 521317116 UTNFOXDISBTLTD-UHFFFAOYSA-N 457.511 5.647 30 20 JKED N#C[C@@H](NC(=O)Cc1ccc(F)c(Br)c1)c1ccc(OCc2ccccc2)cc1 521502434 MLRRXIMMJUIXAK-JOCHJYFZSA-N 453.311 5.091 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1 522583233 ORBIRZSYTBYTCB-UHFFFAOYSA-N 459.889 5.610 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4c(F)cccc4F)n3)n2)cc1 523959491 VCLHDKLLPREHBS-AWEZNQCLSA-N 453.495 5.710 30 20 JKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)Nc1cc(C#N)ccc1OC(F)F 524437095 YJPRINACSIOESE-UHFFFAOYSA-N 472.467 5.830 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1 590376747 BWQPZKPRXXCDOK-MRXNPFEDSA-N 450.354 5.315 30 20 JKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@H]3CN(Cc5ccccc5)C[C@H]43)cc2)cc1 594654764 CUBMJBJVVZKEQJ-IVLZGPIQSA-N 477.608 5.528 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccc(Cl)cc1 598022295 XPBVICPSCKAACC-CQSZACIVSA-N 457.943 5.120 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)c(OC)c1 602339536 ADNWDYWDUJGMNT-UHFFFAOYSA-N 456.542 5.271 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3occc3CSc3ccccc3)c2)c1 603995372 IDOWGWSUDVYNNH-UHFFFAOYSA-N 453.523 5.948 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604137986 DVCAJCSLAPVCNP-SIBVEZHUSA-N 470.573 5.711 30 20 JKED COc1cc2c(cc1OC)CCN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)CC2 604440499 DNWLAPWSKNLLTK-UHFFFAOYSA-N 458.583 5.109 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604499459 BPIREHPUGOLPNN-UHFFFAOYSA-N 451.324 5.562 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 608939889 GFWYGLWIDKDNGN-UHFFFAOYSA-N 468.582 6.124 30 20 JKED Cc1cccc(COc2ccc([C@@H](C)NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)c1 609053821 RCCANWSYYPTFKT-HXUWFJFHSA-N 455.558 5.191 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCNC(=O)c1ccc2ccccc2c1 609060879 GOMAUHUYUWLYTH-UHFFFAOYSA-N 463.537 5.358 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H](C)c1cc2ccccc2o1 609089431 QEYWFXSNYADJMM-FQEVSTJZSA-N 481.552 5.740 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 609370857 CTDYOYSMPOMKGC-AWEZNQCLSA-N 474.011 5.020 30 20 JKED Cc1ccccc1-c1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cnn(C(C)C)c2n1 609376943 LTFPVKYXRJDFJH-SFHVURJKSA-N 469.614 6.492 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1C(F)(F)F 609387118 NLBHJORTUKCJCV-GFCCVEGCSA-N 461.431 6.169 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 609414193 SDZCANFEQPKGDN-KRWDZBQOSA-N 482.293 5.133 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)CC2)c1 609436702 UKQGZWZJGJDBGQ-UHFFFAOYSA-N 487.431 5.082 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ncnc3sc4c(c23)CCC4)n(Cc2ccc(F)cc2)c1C 611150757 KIOYEFFWJMASSL-UHFFFAOYSA-N 491.617 5.388 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1NC(=O)c1ccccc1F 613404399 QMLQBPUJKGRKAI-KRWDZBQOSA-N 462.431 5.621 30 20 JKED N#C[C@H](C(=O)c1occc1CSc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 613404872 PRKGMFOSNFMMHD-MRXNPFEDSA-N 458.486 6.690 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1cccnc1 613991906 RWBFJJGYFFSUTJ-IBGZPJMESA-N 474.417 5.289 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)c1nc2ccccc2o1 614439644 BMXUAKBUXOODTC-GOSISDBHSA-N 490.313 5.098 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 726321606 JPMKPOMBXDTIIS-ITXXBFQVSA-N 490.456 6.158 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cc(C)on2)c1 726404842 GIIGIMSGZVUJTE-RUZDIDTESA-N 494.576 5.278 30 20 JKED CC(C)(C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Br)c1 726734398 ODRBARZZXWJWIH-CQSZACIVSA-N 461.331 6.005 30 20 JKED Cc1ccc(-c2cc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c3ccccc3n2)c(C)c1 727342421 KXDVCTGNKDMNPG-UHFFFAOYSA-N 461.569 5.184 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1=S 727423356 FGERMHAPEKTRIK-OAQYLSRUSA-N 492.979 5.142 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 727620833 NAGJXINBNOWILQ-ZJSXRUAMSA-N 494.378 5.187 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2C#N)s1 728424770 HNFCKRVBUAQEOY-HXOBKFHXSA-N 499.621 5.521 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1-c1ccccc1 728780775 YTJRMYKAEXXTCB-AREMUKBSSA-N 496.636 5.685 30 20 JKED Cc1csc([C@@](O)(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(F)(F)F)n1 729320455 XXVDOPKWKPGKFT-UWJYYQICSA-N 479.911 5.539 30 20 JKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c2c1 730442074 QLVOYXINZRVSTM-INIZCTEOSA-N 470.916 5.314 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCC2)c1 730463194 TYCFZOBYOFATQN-IBGZPJMESA-N 472.397 5.488 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)S/C2=N/[C@@H](C)c2cccs2)c(C)s1 730730235 UGJNOIDEWOJZEP-PJOXSBKCSA-N 499.687 5.367 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730943260 ARSYBTINXBKWDL-SQJMNOBHSA-N 486.641 6.037 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCOCC2CC2)C1=O)Nc1ccccc1F 730943638 IEGHESQUEBPOQB-HXUWFJFHSA-N 493.963 5.005 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 731080091 YIGCUKUAMSUXTC-AWEZNQCLSA-N 489.475 5.408 30 20 JKED CCOc1cc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)cc(Br)c1OC(F)F 750896486 QCHXSLLWTOMHIB-YBEGLDIGSA-N 497.361 5.958 30 20 JKED CCCn1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)nc2cc(Cl)ccc2c1=O 800710451 BGKSOAUVWLPOOU-UHFFFAOYSA-N 469.010 5.116 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC#N 814280938 LFLNBQSJXAVQTI-KQWNVCNZSA-N 474.563 5.796 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2cccs2)C1=O 837299820 NSVAXKMESJFUIW-OAQYLSRUSA-N 465.600 5.226 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2C)C1=O 837300669 BBEGDFUHRJPDQT-HSZRJFAPSA-N 477.561 5.303 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 837747593 XHHPVRIMPJJAKK-VFNWGFHPSA-N 482.968 5.596 30 20 JKED CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C2)ccn1 856655639 BVJFROPJZLLWGI-MUUNZHRXSA-N 484.600 5.074 30 20 JKED N#CCCn1ncc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c1-c1ccccc1 904489489 IVIMVXVKDDJBIB-UHFFFAOYSA-N 471.524 5.579 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCSc3ccccc32)ccc1Cl 909666843 GIJSMIWLRSMIRX-UHFFFAOYSA-N 485.030 5.474 30 20 JKED C[C@H](OC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)C(=O)N(CCC#N)c1ccc(F)cc1 913252718 SNXIXCQGKANCOA-RXFWQSSRSA-N 484.531 5.012 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694429 JRSWPUFCRIVRKK-YADARESESA-N 491.613 5.497 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 915019193 FUEUCCKJTDNVBS-LJQANCHMSA-N 462.571 5.069 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915086754 MMFUXOXMRSXQCG-TYPXCFOJSA-N 481.596 5.763 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(C3CCCC3)C2=O)c1 916208184 VWRRIGWSOIHCRQ-HSZRJFAPSA-N 481.618 5.224 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1c[nH]c2ccc(Br)cc12 916309158 AKFKGSZRZAWERB-UHFFFAOYSA-N 463.360 5.559 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 916721108 WINKEVXTAQBKQT-VWLOTQADSA-N 471.557 5.250 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916887616 NSXZPQNHPGSTOM-INIZCTEOSA-N 459.499 5.095 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)cc1OC 916934724 JATSANGGFQSZSA-QHCPKHFHSA-N 459.546 5.196 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 916939575 IBEZDPJUFZBZLA-NRFANRHFSA-N 460.917 5.326 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)nc(O)c2C#N)cc1 917200766 IYJWCSNDSDUEBQ-HSZRJFAPSA-N 492.576 5.008 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1=S 917484604 AZKRHVLQKFIPKW-QFIPXVFZSA-N 489.645 5.396 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(SCc2ccccc2)cc1 917508429 RODPFKBCBYWYAN-NRFANRHFSA-N 460.555 5.306 30 20 JKED C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc1OC 917517543 HJVDQVVUXCRMKT-BJMVGYQFSA-N 483.362 5.231 30 20 JKED Cc1c(N=Cc2cccc(O)c2O)cccc1NC(=O)c1ccccc1I 917558062 FGEOSGWEFQUQOU-UHFFFAOYSA-N 472.282 5.014 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2)n1 917672053 BCMAHRCVQUUHPY-RUZDIDTESA-N 480.593 5.704 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)o1 917675741 ADZLKNRFWCVWHN-UHFFFAOYSA-N 497.894 5.437 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)cc1 917680396 CCPPYCDHZZCELW-QHCPKHFHSA-N 494.567 5.391 30 20 JKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)c1 918635907 GTJDHKQVDLJAQX-LVZFUZTISA-N 461.521 5.007 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O 920169594 GWMSPFWMBTZRPY-FQEVSTJZSA-N 497.960 5.100 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)c1 920169638 UPNQRQZTZSEVEM-JOCHJYFZSA-N 491.569 5.009 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3cc(C)on3)C2=O)c1 920352787 TYXUWHFQLULHLJ-VWLOTQADSA-N 498.608 5.914 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(F)c(F)c2)C1=O 920355823 PPGGLJRKTFJJPY-HSZRJFAPSA-N 495.551 5.442 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2c(C)noc2C)cc1 920357122 UCWNPQONGQXDRK-HSZRJFAPSA-N 492.601 5.023 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 920867242 CMPDATMSRWTXET-IERDGZPVSA-N 474.026 5.200 30 20 JKED C[C@H](COCC(F)(F)F)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 921254903 UIFPESWPPZCOGW-KDOFPFPSSA-N 499.942 5.268 30 20 JKED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cccc4s3)CCC2)cc1 1785841628 YEIHCACJRPFLCU-QXMHVHEDSA-N 494.016 5.161 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)CCCC(=O)Nc4ccccc4)cc3)CCC2)cc1 1786112108 RAWCGBKZQQXRLG-UHFFFAOYSA-N 494.595 5.044 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cnc4ccccc4c3)CCC2)cc1 1786365283 BUYDYAQVDGIIKM-UHFFFAOYSA-N 471.601 5.284 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1786372413 VMHSEDNOWYZDCV-SFHVURJKSA-N 484.556 5.162 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccnn4C)c(Cl)s3)cc2)CCC1 1788380691 XNTSEXDKAJWDMY-UHFFFAOYSA-N 454.983 5.126 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cn(-c4ccccc4)c4ncccc34)cc2)CCC1 1788396252 KINNPSIHPBOMKT-UHFFFAOYSA-N 462.553 5.187 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4(C(F)(F)F)CC4)cc3)CCC2)c1 1789198583 QETFEBNVPDLOKR-INIZCTEOSA-N 455.480 5.404 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5[nH]nc(Br)c5c4)cc3)CCC2)C1 1789379847 QZTSSAPFDOQPBD-UHFFFAOYSA-N 479.378 5.039 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4C=CS[C@@H]43)CCC2)cc1 1789508938 CPBLLNAJGMBOHQ-MZYLBHOOSA-N 452.696 5.047 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1789585766 NYTFRUCMJDPQRO-VHEBQXMUSA-N 453.542 5.505 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3F)cc2)CCC1 1790072094 YWBOADAOKMPYDE-UHFFFAOYSA-N 482.515 5.005 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4cc(Cl)ccn4)CCC3)cc2)c1Cl 1790084111 ZEOJETQTPSULRJ-UHFFFAOYSA-N 495.366 5.087 30 20 JKED CCSc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790256419 JYSHCAQZEYBGHL-UHFFFAOYSA-N 456.571 5.127 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4coc(Cl)n4)CCC3)cc2)cc(C(F)(F)F)c1 1790785527 QYOXVFZQYCHFGO-UHFFFAOYSA-N 488.853 5.280 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccccn4)CCC3)cc2)cc(C(F)(F)F)c1 1790785612 WGFJAKOAEGTWOE-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)CCC2)cc1 1791584587 SAWSHGXLAALZHF-UHFFFAOYSA-N 475.589 5.585 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791730074 FVVVLYYMPOYNCW-ZEQRLZLVSA-N 495.664 5.398 30 20 JKED Cc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)n1 1792169773 ZATCUHYQVGIBLZ-FYWRMAATSA-N 494.595 5.510 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c1 1792940165 YMJUGYDLNDKCHU-BKFWDETESA-N 487.987 5.356 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccc(Br)cc3n1)C2 1798592960 XROWYHGGRKXESA-ACDBMABISA-N 484.438 5.242 30 20 JKED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1 1800803523 BXSWTHRLFMJMIU-BCDXTJNWSA-N 476.882 5.036 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncc(Cl)cc2Cl)[C@@H]1c1cccnc1 1802365928 SLJFTHZORTVDNT-UWJYYQICSA-N 475.420 5.095 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1802958726 SUURWPDWPULEAD-PQHLKRTFSA-N 494.639 5.104 30 20 JKED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1803563210 JAZVILMSURVMFK-LEUNHAGWSA-N 489.660 5.125 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](c3ccccc3Cl)N(C)C)CC2)C1 1804866892 SVAUSVJRASADNL-HSZRJFAPSA-N 474.089 5.166 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCCc3cc(OC)ccc3OC)CC2)C1 1805457709 LPMASQCXBZTERT-UHFFFAOYSA-N 482.665 5.026 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1807467875 PSUVKLGUGKFKQW-FIBWVYCGSA-N 491.676 5.046 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)cc1 1808977457 UPMXDIYQGUSGKZ-PDDLMNHVSA-N 488.591 5.059 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)cc4)C3)CC2)cc1C#N 1809266441 GXVTVABFSNIUAJ-UHFFFAOYSA-N 494.035 5.086 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc3cc[nH]c23)[C@@H]1c1cccnc1)c1ccccc1 1809448493 VNGAVDRRIWFKKC-ALTZYDRJSA-N 490.607 5.080 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1810171383 CNGHEOGLNDTPJN-RQTOMXEWSA-N 485.550 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@H]1c1cccnc1 1810172065 NANBYAKPRKODHK-CISSFNATSA-N 498.671 5.234 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)[C@@H]1c1cccnc1 1810175500 SESKLQIAGZXDHT-RGODFAACSA-N 498.602 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1810491591 DYLQMJCSNKTRLP-NVQXNPDNSA-N 498.067 5.592 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccnc(C(C)(C)C)c2)[C@H]1c1cccnc1 1810494376 DXPUHPLSQQKYNE-UPVQGACJSA-N 462.638 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1810757272 QDZOZTISDJLKSO-JTHBVZDNSA-N 487.522 5.068 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810923219 HIQRFXRGGXICNI-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811530759 IPYAAIXVTPFHQN-VIZCGCQYSA-N 497.639 5.359 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c(Cl)c1 1811748770 AYZPSHOOGUBKNF-JPYJTQIMSA-N 497.357 5.033 30 20 JKED C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC=CCC1 1811873491 PPYLNSXOXVVENT-WIOYSNFSSA-N 496.533 5.038 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1812587867 SSRHOXCPMNFGPG-NXQMDHLFSA-N 477.992 5.527 30 20 JKED Cc1ccccc1CCC(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1812749845 AYLNRCRCNJERML-WNJJXGMVSA-N 489.736 5.080 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1812828572 VFMRUSDXOSBDKG-XNMGPUDCSA-N 461.650 5.446 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814380730 XLFQGNZFJBEAPE-LAUBAEHRSA-N 493.658 5.149 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)[nH]n1 1814441482 KNIYCAOKWQGFEV-OAQYLSRUSA-N 461.566 5.363 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)[nH]n1 1814829403 OZSDHSWUCHYWIG-OAQYLSRUSA-N 463.607 5.402 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815216820 NLEYKFORCGLWHJ-NTKDMRAZSA-N 474.561 5.099 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cnccc2C(F)(F)F)n[nH]1 1815792832 YYLREQGHCCEBCH-NRFANRHFSA-N 489.542 5.217 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)[nH]n1)c1cc2c(Cl)cncc2s1 1817679815 RNGNLGUIHGUWOV-FQEVSTJZSA-N 489.988 5.030 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817755997 MGJSTJKFCPSTJA-NRFANRHFSA-N 479.968 5.218 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c(Cl)c1 1817826812 JXJMVVXODMFOMC-GOSISDBHSA-N 479.949 5.362 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)nc4ccccc34)n[nH]2)c1 1818604750 DWQUJOSSNXPUPU-QHCPKHFHSA-N 498.974 5.411 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1ccc2scnc2c1 1819146853 LGLBQTXOHLLDJT-NRFANRHFSA-N 489.988 5.030 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820088030 IQXDNWGDJPGGKC-HXUWFJFHSA-N 489.601 5.172 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occc4c3O)[nH]n2)c1Cl 1820221276 SKIBYKGZSIWVKX-LJQANCHMSA-N 489.919 5.006 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(-c4cccs4)on3)sc2C1 1820550771 WTEBGQSUDOSGAH-CQSZACIVSA-N 470.620 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3cccnc3)cc2)n[nH]1 1821004649 ZDBYOLPAXLUOJU-XMMPIXPASA-N 471.605 5.770 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2Cl)N(C)C)n[nH]1 1821759453 NBRKHZCSYKXGAA-ISKFKSNPSA-N 484.044 5.127 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1)C(F)(F)F 1821992157 TTZLHDBHDJVULF-QGZVFWFLSA-N 492.885 5.748 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c1 1823213534 XCCFNFARGYPTMJ-QRQCRPRQSA-N 479.943 5.449 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)c1 1823215850 HOTNVDJPEOCBHC-QKKBWIMNSA-N 497.933 5.588 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1823753320 IKXOCSZYTHKQRY-DEOSSOPVSA-N 484.681 5.249 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccc(Cl)cc1 1823976489 FQLWIERXEKOMJX-NIYFSFCBSA-N 496.026 5.317 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824162365 WOEJCLITGPYCTB-XZOQPEGZSA-N 488.028 5.179 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1 1824760907 BFAXFKRNJXIDJO-BJKOFHAPSA-N 497.680 5.006 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825574300 RPNWRMDEFTVKDY-XNMGPUDCSA-N 477.624 5.823 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccsc3)CC2)c1Cl 1827103953 VLQWQZVCKXWFED-JOCHJYFZSA-N 470.038 5.139 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1827333655 XDEIVBBCFNIITF-NDEPHWFRSA-N 492.623 5.476 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncoc3c2)CC1 1828296915 GSTMDBQHIHAVTK-DEOSSOPVSA-N 479.697 5.112 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 1828822001 BYLJSPZRPMFVCF-DENIHFKCSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1828829636 FXEHCJVLLWYTCW-ATIYNZHBSA-N 480.052 5.890 30 20 JKED Cc1ccccc1OCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828904275 UECPHOUDURGAHG-RUZDIDTESA-N 482.741 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(C(=O)OC)(CC2)CC3)CC1 1829066294 AJWYEDMVGWDEHH-SAVAPUMLSA-N 486.697 5.112 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1829072039 VGOGBYIOBOWFBQ-XMMPIXPASA-N 462.638 5.302 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701158 LRUCQBINVYLFCY-QPPBQGQZSA-N 469.025 6.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1830582562 DSOHVGWXZCXVCU-KBMIEXCESA-N 495.570 5.462 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830717523 WLMWUJGINZQYBS-YJRBMFNESA-N 489.591 5.043 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(F)CCCC=C3F)CC2)c(Cl)c1 1830723216 QUMLCYFQWBLWFF-SQJMNOBHSA-N 475.967 5.191 30 20 JKED CC(C)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755952 QAMUYAKGIOMBGP-QFIPXVFZSA-N 463.544 5.247 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307450 XCPVMOGDHWGQSM-XZOQPEGZSA-N 495.491 5.119 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2Br)CC1 1831319541 BCMFYDNXCXUXCN-QFIPXVFZSA-N 493.873 5.068 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831851839 AQHPZHDXSHGYTA-RDPSFJRHSA-N 476.583 5.318 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c1Cl 1832602790 FEJFOAULWNENSQ-HSZRJFAPSA-N 467.972 5.206 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635071 SRAVIYFLRPQXCX-FQRUVTKNSA-N 489.660 6.060 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ncccc23)CC1 1832863589 YZZKUQJYLCBMPN-DEOSSOPVSA-N 464.654 5.108 30 20 JKED C[C@H]1CCC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1838297180 HQQNZBXBZYSNAJ-QABMSTFYSA-N 498.667 5.135 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC4(CCCN4C(=O)CCc4ccc(C#N)cc4)C3)ccc21 1841006348 SGVONYPASJDOQY-UHFFFAOYSA-N 490.607 5.136 30 20 JKED N#CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 8641464 YRDFHJYCWKUCNT-UHFFFAOYSA-N 459.962 5.237 30 20 JKED N#Cc1c(NC(=O)COC(=O)c2ccc(C3SCCS3)cc2)sc2c1CCCCC2 9791973 UGTCPQZRKVRPDG-UHFFFAOYSA-N 458.630 5.163 30 20 JKED C=CCn1c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nnc1-c1cccnc1 10196477 VGJFWVADKPOCQL-UHFFFAOYSA-N 450.571 5.671 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(N(C)C)cc2)c1C 10756589 GMFOTLPAQAFTMJ-UHFFFAOYSA-O 488.008 5.031 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccccc1NC(=O)c1ccccc1Br 15373144 TUBITZXEVCINHZ-UHFFFAOYSA-N 494.414 5.236 30 20 JKED C=CCn1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nnc1-c1ccc(Cl)cc1 16245962 KRQYKLTZIKDQEO-UHFFFAOYSA-N 488.322 5.583 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)c2ccc(C#N)cc2)n1-c1ccc(Cl)cc1 18970434 CBFFFOSEHRFAHO-UHFFFAOYSA-N 460.946 5.443 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)nnc1-c1ccoc1C 21134426 ZEVAUPWRJJWIPX-UHFFFAOYSA-N 473.558 5.016 30 20 JKED C=CCn1c(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)nnc1-c1ccoc1C 21177298 LOZCYYCBDFXDIV-UHFFFAOYSA-N 487.629 6.310 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccc(Br)cc1 22101171 RSSRHISYPHSVQI-DAYGRLMNSA-N 463.445 5.069 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(CC)cc2)cc1 22695234 OQMGWNPYNNJTDZ-UHFFFAOYSA-O 474.433 6.293 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22735450 FLRMFQINTZFHRT-UHFFFAOYSA-O 473.706 6.340 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccccc2F)cc1 28695977 WDUKPGLJPLOVEF-UHFFFAOYSA-O 480.629 6.215 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1 29150386 UBEAWGNRNPUNLX-UHFFFAOYSA-N 498.402 5.303 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 45851067 ZGJIEMJDHJKHPM-UHFFFAOYSA-N 466.881 5.600 30 20 JKED CN(Cc1ccccc1Br)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 71941218 FJBQUELVDMHNGM-UHFFFAOYSA-N 464.363 5.758 30 20 JKED CCOC(=O)C1C/C(=C/c2cnn(-c3ccccc3)c2)C(=O)/C(=C/c2cnn(-c3ccccc3)c2)C1 97529529 IBHARKRIRJPYCI-NQGGHMMCSA-N 478.552 5.067 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1 105406628 GATLPRMKQVUMGE-KRWDZBQOSA-N 463.613 5.682 30 20 JKED CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 107877112 BUUZGYLWFNFJPJ-SBUREZEXSA-N 482.005 5.325 30 20 JKED Cc1nn(Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)c(C)c1[N+](=O)[O-] 108012670 YMQSJRFIZRSGCU-UHFFFAOYSA-N 497.530 5.310 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 109906366 BMHTWOWCTHTXDG-UHFFFAOYSA-N 496.789 5.599 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1F 216105775 IAEBOYULWJSQHG-LBPRGKRZSA-N 484.906 6.062 30 20 JKED C=CCn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1-c1ccc(Br)cc1 302943251 LREVFKAQDBNWKX-UHFFFAOYSA-N 499.350 5.144 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1OCC 302955093 BEQMALCWPHFGIL-KRWDZBQOSA-N 473.411 5.390 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1 409786321 ATAOPNCQBYYNTH-HOFKKMOUSA-N 455.558 5.621 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc2ccccc12 481421964 ORMSRRFQBUNEQM-SFHVURJKSA-N 467.500 5.245 30 20 JKED Cc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1c(Cl)cccc1Cl 481829701 JDTJESVJDOWARJ-HNNXBMFYSA-N 479.352 5.368 30 20 JKED CSc1nnc(CCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1C1CCCC1 482464329 PBPCAJFQLZBFAI-UHFFFAOYSA-N 461.591 5.142 30 20 JKED COc1cc(-c2nnc(SCc3ccc(F)cc3C#N)n2C2CCCCC2)cc(OC)c1OC 483061362 PKXFIQISEFJDAJ-UHFFFAOYSA-N 482.581 5.779 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3ncc(-c4ccccc4)o3)s2)c(C(F)(F)F)c1 487290425 IXDHTAHSPQYLOW-UHFFFAOYSA-N 482.487 5.851 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)cc1 498362050 XHRBHJQPMLZJGZ-UHFFFAOYSA-N 467.382 5.341 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)c3cccnc3Oc3ccc(Cl)cc3Cl)CC2)cc1 498586087 ZUHKPMZAUHXOBS-UHFFFAOYSA-N 467.356 5.010 30 20 JKED CC(C)c1noc(CCCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 503377556 XRWRHANVAHNSEH-UHFFFAOYSA-N 453.930 5.051 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 504861859 CSMUQTLFIOOYML-AWEZNQCLSA-N 473.360 5.077 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(C(C)C)C2CC2)c1 505235211 GXACLJBNNNMKOU-UHFFFAOYSA-N 466.525 5.100 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2I)cc1 508130053 DZWZCIQQZSBDOS-UHFFFAOYSA-N 480.733 5.011 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1 508974268 CHBFCBWPKYRDHR-UHFFFAOYSA-N 459.590 5.135 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2cccc(C)c2)no1 510297944 XIVFPBWOYINCEN-UHFFFAOYSA-N 453.955 5.347 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510501737 LFPVTYVISFCAMH-UHFFFAOYSA-N 492.601 5.011 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(Br)ccc2F)cc1 511365950 RUVCOCJCSCXAOJ-UHFFFAOYSA-N 468.326 5.555 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)nc2ccccc21 513996293 GSUPTEJHNYAGBN-VWLOTQADSA-N 478.556 5.549 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)sc2c1-c1ccccc1CC2 515626147 UGRFTHXYQVPFLX-UHFFFAOYSA-N 485.609 5.032 30 20 JKED CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1Cl 515916682 FKYLQOPNPUXRFY-QFIPXVFZSA-N 497.382 5.015 30 20 JKED CN(Cc1ccccc1OC(F)(F)F)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 516407523 BOTARUZPXYHQKD-UHFFFAOYSA-N 488.306 5.220 30 20 JKED CC[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1OCC(=O)N1CCCC1 517473445 OEZAQEJQGPAROB-PZJWPPBQSA-N 480.634 5.212 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1 517517567 CHTQDJBGKKADIZ-RDPSFJRHSA-N 457.599 5.889 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 518076069 QYYITJGBJHHSAS-UHFFFAOYSA-N 455.461 5.946 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nccnc3-c3nc4ccccc4s3)n2)cc1 518516746 VXUKYUWOWHXUCI-INIZCTEOSA-N 469.551 5.375 30 20 JKED N#C[C@@H](C(=O)c1cccc(I)c1)c1nc(-c2c(F)cccc2F)cs1 520429321 KMLNRFSUCFYVPE-LBPRGKRZSA-N 466.250 5.183 30 20 JKED C[C@@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2 521691061 NUTVYTLAVWDZKA-WBVHZDCISA-N 457.571 5.025 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 522447262 DNCMJVPRWUCGBG-UHFFFAOYSA-N 483.859 5.610 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1 522493031 KXSJLFHNPQHLPZ-MRXNPFEDSA-N 497.473 5.536 30 20 JKED Cn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccccc1Cl 589830358 LUQYEIJIBIMKLC-UHFFFAOYSA-N 458.012 5.068 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c12 590781548 ODNSFUDOPOKYML-UHFFFAOYSA-N 450.527 5.191 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c([N+](=O)[O-])cc1OC(F)F 603613822 YASHZYKDYYSDRV-SNVBAGLBSA-N 487.362 5.323 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1Cl 603766907 ZHDGELRNPVISMN-OAQYLSRUSA-N 467.903 5.422 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(CCc4ccc(O)cc4)CC3)s2)cc1 603829761 TXFQDEDLZRKCIX-UHFFFAOYSA-N 479.631 5.284 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604138775 IMTMJJFQBAPGEW-SANMLTNESA-N 470.573 5.396 30 20 JKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSCc1cccc3ccccc13)CCCC2 604502214 IVYKRLCGAKDBOG-OAQYLSRUSA-N 459.615 5.443 30 20 JKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 604519238 VXNRIMDXXZBXMJ-FIPFOOKPSA-N 499.636 5.529 30 20 JKED COc1cc(C(=O)Nc2ncccc2OCCCC#N)ccc1OCc1ccc(Br)cc1 608882896 KKBFEGVLEFMDAW-UHFFFAOYSA-N 496.361 5.367 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)N[C@H](c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)nc1 608994984 VTNDPPIBIFGWFU-XMMPIXPASA-N 480.399 5.318 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1OCC(F)(F)F 609079323 WHPRWOKJYVKGBY-UHFFFAOYSA-N 469.463 5.709 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1Cl 613041599 PJOBLUOBBROMJD-XMMPIXPASA-N 473.960 5.828 30 20 JKED C=CCn1c(S[C@H](C)c2nc(C3CC3)no2)nc2sc(-c3ccccc3)c(C)c2c1=O 613979389 KGIQDUWOYDLICE-CQSZACIVSA-N 450.589 5.733 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OCc1cscn1 642282219 VNDPOCUUMVGQBI-OAHLLOKOSA-N 489.500 5.849 30 20 JKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1C(F)(F)F 642282407 OXOFKBHFKHTVSF-ZDUSSCGKSA-N 459.378 5.434 30 20 JKED C=CCn1c(Sc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)nnc1-c1cccnc1 669623792 HXIKZRCJUUXDBE-UHFFFAOYSA-N 469.599 5.233 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)cc1Cl 726410295 YVKQTJAZWPIZIO-FQEVSTJZSA-N 498.992 5.573 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2Cc2ccco2)c1 726410806 JCTRMIWUJINTFF-JOCHJYFZSA-N 493.972 5.083 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@H](C)c1cccs1 726420899 JTQKPEZNOHLRBA-SQWWRHCISA-N 469.554 5.567 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@@H](C)c2cccs2)c1 726421520 NNRDFHGBSKFMBP-HOSTVDGGSA-N 493.654 5.485 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2cccc(CO)c2)cc1Cl 726570516 CNGBWIDZBYKJSE-UHFFFAOYSA-O 462.938 5.061 30 20 JKED CC(=O)N(c1nc(/C=C2/COc3cc(C)c(Cl)c(C)c3C2=O)cs1)c1ccc(F)cc1F 727780861 VKCPNOHPSGTMBP-AUWJEWJLSA-N 474.916 6.035 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cc1 727795422 GJCCFPRFZIXXGT-QFIPXVFZSA-N 492.494 5.560 30 20 JKED COc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1NC(=O)OC(C)(C)C 727989883 LAIDQTJAMNRLPE-UHFFFAOYSA-N 463.490 5.338 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3cc(C(=O)O)c(F)cc3Cl)cc2Cl)c1 728016446 OCYBLLZTSDBASP-UHFFFAOYSA-N 495.315 5.082 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 728130131 MAACZPQEOZBFCJ-IYBDPMFKSA-N 453.530 5.601 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3cccs3)n2CC)c1 728181601 RHOXQVYAKVKQCE-UHFFFAOYSA-N 464.641 5.395 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)cc1F 728778871 GDSMJDCANIXLAO-DEOSSOPVSA-N 488.588 5.942 30 20 JKED C#Cc1ccc(C(=O)Oc2ccc(Sc3ccc(OC(=O)c4ccc(C#C)cn4)cc3)cc2)nc1 728799820 WSSBIUQBZRPFBK-UHFFFAOYSA-N 476.513 5.029 30 20 JKED CCn1c(SCc2ccc(OCC#N)cc2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 729242361 SCYIRAHFWMRGQE-UHFFFAOYSA-N 477.593 6.375 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCC2)cc1Cl 730461477 CUJSPJSKPIPFEG-OAQYLSRUSA-N 472.010 5.478 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1Cl 730708238 CCUCFZUYUQBSKR-KRWDZBQOSA-N 493.347 5.281 30 20 JKED Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 731063698 PTDODHQHOYGFDG-KRWDZBQOSA-N 450.585 5.771 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(O)c1 731308377 ZOMMTVODCOZLAQ-OAQYLSRUSA-N 483.952 5.345 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S 746033175 OOFSIEKQTUMJAA-FQEVSTJZSA-N 453.637 5.061 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S 746033713 SQGFFHISGXAUSD-UHFFFAOYSA-N 454.603 5.264 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)nnc1-c1ccc(Cl)cc1 747363103 BVFUJJCPSRDLBP-QZTJIDSGSA-N 498.052 5.129 30 20 JKED C[C@@H](OC(=O)c1ccnc(Oc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 749291527 GTMNJFYMVIOMFT-MRXNPFEDSA-N 461.543 5.260 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 749361281 MRQPKXLRSJHEHY-UHFFFAOYSA-N 486.000 5.857 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 792305536 CVTQDVMNQUAFCU-IBGZPJMESA-N 473.573 5.050 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)c1 799216040 SCYVWPXOXPVIFT-MRXNPFEDSA-N 455.889 5.171 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 837526103 YPWSFAJXAJLPCK-KKSFZXQISA-N 464.978 5.457 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCc3cccs3)C2=O)cc1 837744658 MYPSQGYHZBRVQF-QFIPXVFZSA-N 495.601 5.293 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NCc2cc(Cl)cc3cccnc23)cc1 864000970 KQQRHXIXHFEYCI-QYQHSDTDSA-N 456.999 5.093 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 914464366 IVBUMFFJFPXTSS-OAHLLOKOSA-N 491.654 5.191 30 20 JKED CC(C)c1nn(-c2ccccc2)c(Cl)c1C=Nn1cnc2ccc(Br)cc2c1=O 914555790 ZFLYKCDGDSHEFB-UHFFFAOYSA-N 470.758 5.004 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC4=NS(=O)(=O)c5ccccc54)cc3)n2)cc1 915102192 UJKVIBLYWJQRJA-NRFANRHFSA-N 498.589 5.170 30 20 JKED N#CCOc1cccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)c1 915711172 YFIYLRSBQZUUJV-QFIPXVFZSA-N 466.994 5.225 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1)c1ccccc1 916888572 WPJXDVPSTQWQNP-YWZLYKJASA-N 467.497 5.497 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916936941 YAZKMJNRCFHFHC-CYBMUJFWSA-N 476.316 5.407 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1 916945567 XGIZNRPTRCHVDN-QGZVFWFLSA-N 460.342 5.395 30 20 JKED C=CCOc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 917045275 XICSWHZHKWEEHH-HQQUCIOCSA-N 458.461 5.778 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cccc(C)n3)C2=O)c1 917678759 HOJKIYZYIUUPIW-QFIPXVFZSA-N 495.004 5.213 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1F 917702927 XICYETIPLGQNOG-NFBKMPQASA-N 477.561 5.118 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)ccc1Cl 917713743 PBHBHTSIXMBOBB-UHFFFAOYSA-N 474.007 5.223 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)ccc1Cl 920271527 NQIWPKIFFGYBKF-DEOSSOPVSA-N 497.016 5.404 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)N[C@H]2CCCC[C@@H]2C)cs1 920364947 KWNHNJZHPBNMHV-UGSOOPFHSA-N 483.585 5.223 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2ccccc2C(C)(C)C)cc1C 920892329 LJSGVBXRSJMJEA-UHFFFAOYSA-N 458.562 5.174 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CCC[C@H]4CCCC[C@H]42)C3)c1 1782972305 DPXLFWNTSFOVJY-CYLWGYMRSA-N 491.676 5.048 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C(F)(F)F)cc2)CCC1)C(F)(F)F 1786782514 ONEWTIAFNDUHQJ-UHFFFAOYSA-N 485.428 5.286 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3cccc(C)c3)cc2)CCC1 1788358727 NXVDHQJQONSOBZ-OAQYLSRUSA-N 484.600 5.606 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5cccc(Cl)c45)cc3)CCC2)c1 1789393239 BEYPIULWBYCQEX-UHFFFAOYSA-N 457.921 5.083 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1789491226 ATHBPGJNCHBDNK-XMMPIXPASA-N 469.585 5.069 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1790567324 HOWKNJWTMDGUQV-JKIKYLSZSA-N 459.546 5.381 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(c4cccc(Cl)c4)CC3)CCC2)cc1 1790568666 XQAYDEMXILWXIU-SFHVURJKSA-N 467.997 5.307 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c(CC)nc4ccc(Cl)cn34)CCC2)cc1)C(F)(F)F 1791303180 NSRNESIHKYQQIV-UHFFFAOYSA-N 490.913 5.416 30 20 JKED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Oc3ccc(C(F)(F)F)cc3Cl)c1)C2 1795464041 QIBYRURNKSDBEY-BCDXTJNWSA-N 491.897 5.317 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1)c1ccc(Cl)cc1 1796895534 YTRZDMLVPOQPJD-CBAIGZTLSA-N 485.049 5.218 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2[nH]c3ccoc3c2-c2ccccc2)c1 1799116642 MFYZOGWNEPFKHU-ABQRKTDGSA-N 492.579 5.621 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)[C@H]1c1cccnc1 1802502671 LCQLXPOCDQAVRK-YKSBVNFPSA-N 497.039 5.005 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)[C@@H]1c1cccnc1 1803081415 JOHDXWHGCMVVLX-XNMGPUDCSA-N 471.645 5.368 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)C3)CC2)c(Cl)c1 1804750067 MDUBPSKSCYOYHM-UHFFFAOYSA-N 495.410 5.505 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1804846278 PDTACLXSEZBDQC-IGKIAQTJSA-N 484.644 5.697 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4c(Cl)cc(C)nc4c3)CC2)C1 1805457175 WIEOLYDTBHYZPZ-UHFFFAOYSA-N 480.052 5.810 30 20 JKED C=C1CC(C(=O)N2CCC3(CCCN(C(=O)C4CCC(c5ccc(Cl)cc5)CC4)C3)CC2)C1 1805623962 ZZYOHHPLUNHCTP-UHFFFAOYSA-N 469.069 5.811 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@@H]1c1cccnc1 1806451397 XJAHJDWNMLXDPK-BAVZPMSTSA-N 473.661 5.686 30 20 JKED Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)C2)cnc1C 1807371863 LKJHGYOPSSWZEC-UHFFFAOYSA-N 491.635 5.257 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1810172372 JLNMWFJQBGADSL-LGVFNWMJSA-N 474.630 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(OC)cc3)C2)CC1 1810400459 HTLAIUAIXGYRHA-RUZDIDTESA-N 487.644 5.370 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc3sccc3[nH]2)[C@@H]1c1cccnc1)c1ccccc1 1810443727 MABDZLIISMDRJE-VMODYCNZSA-N 496.636 5.141 30 20 JKED O=C(NC[C@H]1CCN(C(=O)Cc2ccccc2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811252677 XOOKJMHRYBSCOA-BHYZAODMSA-N 499.614 5.044 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1811748991 IIZWHJCCTIPHTK-MDJJAXGLSA-N 493.051 5.533 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@@H]1c1cccnc1 1812596408 QIQKOHIRBMISNG-GREBRCKQSA-N 485.550 5.050 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3C3CC3)[C@H]2c2cccnc2)c1 1813759884 PVIXWAHVIMERKZ-IKKNDMBGSA-N 478.596 5.219 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1813820629 DMAXIBWVXQFSQR-XUZZJYLKSA-N 451.998 5.131 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)[nH]n2)C1 1814397889 ZALPRGNTYLMQFH-DEOSSOPVSA-N 476.527 5.627 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(C)n2)n[nH]1)c1ccccc1 1814418743 AXMMETMZSWWLLE-WURQHKLBSA-N 481.600 5.016 30 20 JKED Cc1cc(Cl)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814595072 UQAJZMJONSWDAM-HXOBKFHXSA-N 475.980 5.618 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCOc2ccc(F)cc2)n[nH]1 1814654517 PLGSZGFFVJCANN-OAQYLSRUSA-N 456.562 5.002 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[nH]n1 1815658052 RVBWZIIDGVIJPN-LJQANCHMSA-N 493.460 5.360 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)nc2F)n[nH]1 1816048599 RKPDGAVAWJMVNS-MRXNPFEDSA-N 492.393 5.005 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5cccc(F)c5s4)sc3C2)cc1 1818262727 KLOBVSHNCLNWJO-QGZVFWFLSA-N 490.585 5.103 30 20 JKED Cc1nc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)ccc2s1 1818698737 FBEMEKUWNMSSOO-QHCPKHFHSA-N 498.612 5.138 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cc[nH]c34)n[nH]2)c1Cl 1818771630 XIZDUEGCVIBGOK-FQEVSTJZSA-N 472.936 5.036 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820088878 BQWPUSGZNAFMMA-DYESRHJHSA-N 487.560 5.048 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)c(F)c2CSc2ccccc2)n[nH]1 1820240154 FLVMEYGGPGJPBU-OAQYLSRUSA-N 495.555 5.200 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n[nH]1 1821002761 GOBUXHOQYLEFTC-CYFREDJKSA-N 485.588 5.180 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)s1 1821272331 BONCEBCPBRKATP-HXUWFJFHSA-N 494.596 5.229 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3c(Cl)cccc23)n[nH]1 1821395142 JEDZTEHQVBULBL-DNVCBOLYSA-N 466.973 5.014 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n[nH]1 1821788376 NBTJCUSPMACPDK-UTKZUKDTSA-N 474.527 5.114 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1821986572 SKJMJTIRSBSLNT-ZDUSSCGKSA-N 450.536 5.203 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)[nH]n1 1821987987 GFZJUXITRFCONC-DOJUMQAQSA-N 493.352 5.089 30 20 JKED COC(=O)CCCCCCCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1 1823532932 BVYWOEMGSRPUFS-JOCHJYFZSA-N 499.656 5.170 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CC2)C1 1823700118 LTTPBRSSBABUHB-RUZDIDTESA-N 494.035 5.727 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccccc2C#N)CC1)c1ccc(Cl)cc1 1823975148 KBSAZSXHXBCSKE-CJFMBICVSA-N 494.035 5.014 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 1824448850 FYYMCMFNIJFERW-NXCFDTQHSA-N 466.666 5.411 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(-c3ccccc3)n3ccccc13)CC2 1826039986 HCFZFQKGIOELNY-FQEVSTJZSA-N 482.609 5.092 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1)c1cccs1 1827684213 ZCZKLFLRTHVHBT-MHNQQFQPSA-N 489.012 5.213 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734779 KQFXFNYYNPKRTO-OXJNMPFZSA-N 461.027 5.152 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)c21 1828278293 TUEKSIJJIBTCEG-XMMPIXPASA-N 489.019 5.250 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nn2-c2ccccc2)CC1 1828824229 GIBUQBXTYLICJY-IZZNHLLZSA-N 474.649 5.182 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)C)nn2CC)CC1 1828826904 FDSSIZHTUDUVOX-UPVQGACJSA-N 454.659 5.028 30 20 JKED CO[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1)c1ccccc1 1828903979 LVOPJYJOZWVYDI-XNMGPUDCSA-N 482.741 5.045 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1828906242 BMNYRLVJQFXQBG-QHCPKHFHSA-N 483.754 5.514 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829573720 SSFJNQAIWLPINX-QFIPXVFZSA-N 495.570 5.668 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c1Cl 1829688021 OBKMBUQMKCRNES-HXUWFJFHSA-N 490.456 5.403 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)c1Cl 1829692614 LQGJBCXMWFWSMJ-UKILVPOCSA-N 476.020 5.175 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@H](C)S)CC3)ccc21 1829695870 UAINCWQFGVAOTP-YADARESESA-N 477.674 5.366 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1829958428 IFOUZZDBTMMQEV-HSZRJFAPSA-N 471.935 5.037 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978719 UVIZCIUCFAPVRA-ZEQKJWHPSA-N 493.673 5.616 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1831373064 MQEHAINPOKYTCJ-IQGLISFBSA-N 468.041 5.642 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)CCCCC)CC1 1831462049 CVEXQFQORSUNSZ-YFNKSVMNSA-N 491.717 5.292 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc(F)c3F)CC2)c1 1831574121 HVVVNERPIGEFNX-CLOONOSVSA-N 479.571 5.068 30 20 JKED COc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c2c1 1832632196 MJCJYTFVFJWNFC-WTYVLRPYSA-N 498.627 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1834465234 YNLTXNLVWWDWRB-HOFKKMOUSA-N 481.725 5.380 30 20 JKED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)CC1 1837071652 UVWUZQKXXLXGFK-UHFFFAOYSA-N 493.094 5.086 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3C3CC3)CC2)CC1 1838390480 CFVAYIURGCFFIK-UHFFFAOYSA-N 494.752 5.227 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(OCc3ccccc3)c(OC)cc1C)C2 1844203678 CYIONWJTGIVLMG-DEOSSOPVSA-N 488.628 5.168 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2ccc(F)cc2C(F)(F)F)C1 1846882091 VBHYNJCTRUTUHZ-UHFFFAOYSA-N 492.366 5.133 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccccc3Cl)CC2)cc1 15711496 XJGJAHNXSNLTFM-UHFFFAOYSA-N 495.988 5.043 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 21622460 GVVTYHSBTOXXEF-UHFFFAOYSA-N 471.586 5.242 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccc3c(c2)CCCC3)s1 22690306 JFNHJQRRYHMREA-UHFFFAOYSA-O 489.658 6.588 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)NCc2ccccc2)cc1 22730837 OQVIUSMYJMPIKC-UHFFFAOYSA-O 451.681 6.285 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccccc3)n2C2CCCCC2)cc1 23564063 NHHRWVQPCFBESP-UHFFFAOYSA-N 475.618 5.498 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 23998621 NOUMTESBLGABCY-CQSZACIVSA-N 465.648 5.321 30 20 JKED N#Cc1ccc(CCC(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccco2)cc1 24695958 PIUOFMFDJQAAJK-UHFFFAOYSA-N 489.881 5.424 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(Cl)cc1 26565158 KGCQSJHNUKFNHK-MRXNPFEDSA-N 495.992 5.539 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(Cl)c2)cc1 28793639 FWAIOUNTIQRSDT-UHFFFAOYSA-O 469.030 5.778 30 20 JKED C#Cc1cccc(NC(=O)c2sc3[nH]c(CSc4cc(C)ccc4C)nc(=O)c3c2C)c1 29481278 ANRPZPSZRPGPJB-UHFFFAOYSA-N 459.596 5.436 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)CC1 71931630 GQNKRKHQCPRWPX-JOCHJYFZSA-N 492.988 5.643 30 20 JKED C=CCn1c(SCc2nccn2CC(F)(F)F)nc2scc(-c3ccccc3)c2c1=O 116787458 PUZFLVCKDAVFEY-UHFFFAOYSA-N 462.522 5.362 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F 195730005 QHNLEJMNQDWKMG-UHFFFAOYSA-N 467.495 5.277 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 247403287 NVNSVRSBXLPBHH-UHFFFAOYSA-N 471.788 5.345 30 20 JKED Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1NC(=O)c1ccco1 409842107 KUBODYBJAAKUAY-UHFFFAOYSA-N 455.445 5.896 30 20 JKED COc1ccc([C@H](NC(=O)CSc2ccc(C#N)cc2)c2ccccc2)cc1Br 485309858 AYIXKTAOKKWXHN-HSZRJFAPSA-N 467.388 5.327 30 20 JKED N#Cc1cc(F)ccc1CN(Cc1ccco1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 488024890 RLXUCHRBOVERJY-UHFFFAOYSA-N 472.847 5.354 30 20 JKED C=CCn1c(SCC(=O)N2CCC(OCCC(C)C)CC2)nnc1-c1ccc(Cl)cc1Cl 500450948 KJQSPSFRVJUACM-UHFFFAOYSA-N 497.492 5.584 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(F)cc1I 500757991 YVPTYMNJSBDVMR-UHFFFAOYSA-N 472.257 5.655 30 20 JKED CCCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1Cl 501302241 BACOWCHUGDCFFH-QGZVFWFLSA-N 472.961 5.358 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)NC(=O)CS2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502977008 CDDMQMSCJXOZDV-UHFFFAOYSA-N 476.410 5.994 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3)C[C@H]3CCCO3)cc2Cl)cc1 506381008 MWXQFPXBGAOLEZ-HSZRJFAPSA-N 489.959 5.150 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1 507751959 ZYUOHWFVPMGOCH-UHFFFAOYSA-N 466.563 5.629 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)N(C)C 510022171 BVMLPBFPTVUEEI-VWNXMTODSA-N 462.981 5.428 30 20 JKED Cc1nc(CN2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cs1 510024690 WGGVUVVKSAEZEV-JOCHJYFZSA-N 466.010 5.110 30 20 JKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(OC(F)F)cc1 510162659 XNOLKRQWOXXJQJ-GFCCVEGCSA-N 461.519 5.186 30 20 JKED N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 513676664 ITZMGBUQSSTTPA-IBGZPJMESA-N 496.567 5.908 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1nc2ccccc2[nH]1 513677019 OYNSCXZPAQJHHB-FQEVSTJZSA-N 458.481 5.106 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 515422750 UYHUMSQZXOHYHI-MRXNPFEDSA-N 456.999 5.105 30 20 JKED C=CCN(C(=O)COc1c(Br)cc(C#N)cc1OCC)c1nc(-c2ccccc2)cs1 516069680 CAIHBYCKDFQSGU-UHFFFAOYSA-N 498.402 5.441 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2C#N)C1 516069719 DMNKCQQBNLQVRQ-LBPRGKRZSA-N 481.496 5.872 30 20 JKED C=CCn1c(SCc2cc(F)ccc2Br)nnc1[C@H]1COc2ccccc2O1 517160324 QMNGWHDZCPQCDI-GOSISDBHSA-N 462.344 5.171 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 519067778 VACOUVUZAQRQSE-UHFFFAOYSA-N 470.404 5.277 30 20 JKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 520832436 KAANKNKDVWAXCP-CHWSQXEVSA-N 452.458 5.304 30 20 JKED CC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 520910690 YTCNQIQHRUOVFJ-CQSZACIVSA-N 450.372 5.305 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3nnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)n2)cc1 522147287 RNXIYYONKMRTQR-UHFFFAOYSA-N 480.475 5.411 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 557702187 PZGZAFKGZAEQLK-VAMGGRTRSA-N 465.619 5.501 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1cccc2cnccc12 595869372 LOCXVOWDEPVQIB-INIZCTEOSA-N 472.480 5.016 30 20 JKED CCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccc(C)c1 597872716 FRRHWSLDHBTNNK-HNNXBMFYSA-N 451.621 5.205 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)nnc2-c2ccncc2)cc1 598931035 HEWKZLJEXURCQB-VJLZTBLDSA-N 474.634 5.049 30 20 JKED Cc1ccc(C)c(Sc2ccc(NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2)c1 603650034 RUAPWEBAYUNQFW-UHFFFAOYSA-N 473.602 5.546 30 20 JKED COc1ccc2c(c1)c(C(=O)Nc1nc(C)c(SCC#N)s1)c(C)n2C1CCCCC1 603775517 NEIJRMUEESQBCR-UHFFFAOYSA-N 454.621 6.096 30 20 JKED CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 603900729 VGHSDICOACHKQP-MRXNPFEDSA-N 488.444 5.400 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3I)cc2)cc1 604025616 JKDIXHJGNQOACM-UHFFFAOYSA-N 498.320 5.361 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1 604438588 CWOLBGBKEZIZPK-FQEVSTJZSA-N 496.592 5.450 30 20 JKED Cc1ccc(N(C(=O)CCc2c(C)nc(O)c(C#N)c2C)c2nc3ccccc3s2)c(C)c1 604440870 JFQWPGKCTZBWQK-UHFFFAOYSA-N 456.571 5.800 30 20 JKED CCCc1ccc([C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 608992167 XSRMJDKKCGPUHM-RUZDIDTESA-N 459.619 5.025 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 609078896 CEFAVDVZBRMQCA-JOCHJYFZSA-N 458.537 5.233 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2Cl)c1 609079605 DERNZPVFYHJROR-UHFFFAOYSA-N 488.975 5.673 30 20 JKED N#CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CCC3)CC1 609330299 LVDYIWYEUQXMDK-ZZEZOPTASA-N 471.004 5.483 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1sccc1Br 609379272 UNICDKFGGKQPLL-UHFFFAOYSA-N 471.345 5.336 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCCCO2 609388231 WXJHTRPKCDOVCD-HNNXBMFYSA-N 463.024 5.767 30 20 JKED CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433732 FLJOPYMQIWCFLB-HXUWFJFHSA-N 485.462 5.273 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2OC)C2CC2)nnc1-c1ccc(Cl)cc1 614873981 TWUURANWBNZNHL-UHFFFAOYSA-N 469.010 5.076 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nnc1-c1cccnc1 645005012 DBYKGGYDJKAYQM-UHFFFAOYSA-N 459.522 5.961 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)c1 726398549 URNZGCFCFPFABS-OAQYLSRUSA-N 499.589 5.065 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C#N)c(Cl)c2)c(C)s1 726408760 IAPAWTHPXNOEOV-XCLFUZPHSA-N 487.050 5.251 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)cc1F 726412358 RJQJMAUGVSEUIV-JOCHJYFZSA-N 481.549 5.205 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(C[C@@H]2CCCO2)C1=O 726418741 FJVPSQYLJOZESQ-IDDACEEVSA-N 492.066 5.279 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(C2CC2)C1=O 726421517 NLEMSWCCWYLWCL-QDKFNBQJSA-N 457.621 5.089 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(N3CCCC3=O)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726573274 VLTIGOVYCTYDLO-UHFFFAOYSA-O 496.656 5.703 30 20 JKED C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 727984896 VTODUIUIJIJTBI-LJQANCHMSA-N 465.509 5.474 30 20 JKED Cc1c(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cccc1-c1nnc2n1CCCCC2 728267863 GYBFMXRCFQZQLA-UHFFFAOYSA-N 464.573 5.511 30 20 JKED CN(C)C1CCN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2F)CC1 728279173 BXZATXFPZXQGSW-UHFFFAOYSA-N 488.632 5.772 30 20 JKED CCS(=O)(=O)c1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 728413088 ZCIHCQBIMMINKR-QGZVFWFLSA-N 479.410 5.329 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C)s2)cc1 728422257 GCCLWRWEWMXBSW-QFIPXVFZSA-N 490.610 5.097 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1C 728422638 DMCZSACNLXGXJJ-YADARESESA-N 483.597 5.292 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 728778048 PUMYZDIXFKXENH-LJQANCHMSA-N 492.498 5.499 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(C3CCC3)C2=O)cc1Cl 730458933 CRVDINNHUOCEOS-LJQANCHMSA-N 461.946 5.001 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(C2CCC2)C1=O 730462884 QOESPFJYVLZMOS-NCJDRBFGSA-N 478.039 5.352 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F 730473870 LTBMJVHGKDNKCR-VXGBXAGGSA-N 472.401 5.812 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 730599497 BDEDOHODQWWSOG-UHFFFAOYSA-N 466.585 5.269 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cocn2)cc1 730716231 QNFJNPKATISBPB-QHCPKHFHSA-N 492.601 5.186 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943894 MQZBHYGEHMZBFJ-WMZHIEFXSA-N 458.587 5.420 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 731024600 ASYLTDHERHUBHM-BDEQVGPYSA-N 477.611 5.603 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)n1C 731078707 VZPZNTNZPUOBBW-MRXNPFEDSA-N 451.523 5.021 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1F 743523791 DFLRXHRFNIZHTM-GOSISDBHSA-N 465.472 5.299 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(CC(F)(F)F)C1=O 743525179 ORUCOUISKSUKCY-LJQANCHMSA-N 497.514 5.446 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)cc1C 746696254 LKQGKZIGQGJPFO-OAQYLSRUSA-N 471.598 5.218 30 20 JKED C=CCc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(CC)cc3)s2)cc(OC)c1O 747063599 NXFUOLDXOCPBIC-LDADJPATSA-N 455.967 5.532 30 20 JKED COc1cc(C(=O)/C=C/c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)ccc1S(C)(=O)=O 747065533 AMEPILUHCPMEHM-RIYZIHGNSA-N 490.556 5.295 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cc(C)ccc2C)n1 748037220 YUEHZPOGEKAMMA-JOCHJYFZSA-N 492.576 5.007 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1C(=O)N(CC)CC 749332620 AFJBOMDRWHVRCV-UHFFFAOYSA-N 462.363 5.290 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H]2C[C@H]2c2ccccc2C(F)(F)F)C1=O)NC1CC1 750917995 ZQBWKBNRDGCJHJ-IHPCNDPISA-N 491.510 5.001 30 20 JKED CCCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1cccc(C)c1 803975625 JZICHRNUTLYYAV-FQEVSTJZSA-N 473.627 5.756 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 837388477 OOFIGMXAWMZXEV-HXUWFJFHSA-N 453.564 5.356 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1[C@H](C)c1cccnc1 838196866 CEEHCQMIRGQHLD-KOSHJBKYSA-N 488.613 5.374 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(C3CCCC3)C2=O)cc1 838548545 NNILLTOGNXOYLW-OAQYLSRUSA-N 471.529 5.070 30 20 JKED N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(-n5cnc6ccccc65)nc4)no3)cc2)nc1 904488705 PTUKQXZAXGPICM-UHFFFAOYSA-N 457.453 5.196 30 20 JKED N#Cc1c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)sc2c1CCCC2 914109807 JUZMSHUUXVAVBT-BOPFTXTBSA-N 473.670 5.180 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccc(OC(C)C)cc2)C1=O 914539579 FXCJNJVGEQQZNR-LJQANCHMSA-N 480.417 5.048 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2cccc(F)c2)C1=O 914772988 UORDZHWNGAXMCY-HSZRJFAPSA-N 477.561 5.303 30 20 JKED COc1ccccc1-c1nn(CN(C)Cc2ccc(C#N)cc2)c(=S)n1-c1ccc(C)cc1 914782990 BNCYQUIZEXAAST-UHFFFAOYSA-N 455.587 5.348 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2s1 915099019 KMLUUWRMEZMSFS-GHTZIAJQSA-N 459.958 5.687 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)[C@H](C#N)c4nc5ccccc5n4C(F)F)CC3)c2c1C 915107374 RSQQNPIZTJQPCD-INIZCTEOSA-N 480.544 5.146 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2I)cc1 915293514 PFWMDZFNGWYCRG-IBGZPJMESA-N 456.258 5.338 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 915350223 MQRPROKDYAIDNJ-XMMPIXPASA-N 492.501 5.351 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(COc3ccccc3)cc2)cc1 915784871 YGYHVEWQJOILGI-NDEPHWFRSA-N 475.548 5.176 30 20 JKED COc1cc(/C=C\C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OCc1c(C)noc1C 916074655 USRCLTJLIIBJSV-GHXNOFRVSA-N 496.523 5.590 30 20 JKED CCCc1cc[n+](/C(C(=S)N=C2C=CC(=C(O)OCC)C=C2)=C(/O)c2cccc(Cl)c2)cc1 916203111 XWRSMONQFLEBFU-UHFFFAOYSA-O 482.025 6.164 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccn3)C2=O)cc1 916213010 WITCTGCOBIMPFD-XMMPIXPASA-N 488.613 5.339 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916213462 DFVQYCIYMDBWAA-QGZVFWFLSA-N 479.345 5.024 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1 916215087 SPRDQOYLPJTJTP-QGZVFWFLSA-N 469.916 5.729 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1F 916217619 RNYMMDAWTAKJOB-KRWDZBQOSA-N 452.338 5.255 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)nc2ccccc21 916845166 PCCCNSCMXCQVDI-XXBNENTESA-N 460.331 5.332 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@H]1c1ccc(OC)cc1 916846293 PCCKITMXFHCGNI-DCLXLUIPSA-N 461.587 5.261 30 20 JKED CC(C)(C)c1ccc(SCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847448 PIUFCOVLUVTFMG-KRWDZBQOSA-N 451.617 5.542 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OC1CCCC1 916887084 KZLPIDGMYYSJKE-GOSISDBHSA-N 460.502 5.292 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1[C@H](C)c1ccccc1 916907089 HLIVMPKQQICVQI-RLWLMLJZSA-N 477.564 6.468 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916926967 AUXNFTUHHXGHSH-ZDUSSCGKSA-N 492.771 5.922 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(Br)ccc1F)C(=O)Nc1cc(Cl)cc(Cl)c1 916941916 BWEJARUFKJZMFZ-AIOIPUTFSA-N 456.098 5.256 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916946322 QMPIOVKAMFWUHR-KRWDZBQOSA-N 462.333 5.449 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916954171 XFOCINWHMGMLCU-WJCMJQHKSA-N 456.342 5.094 30 20 JKED CC(C)C(=O)Nc1nc(CC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cs1 917029963 DBHIRLBTPDMJAK-QQYMGJJXSA-N 468.648 5.081 30 20 JKED CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043930 PGDHCZXOYOJUER-VQIMIIECSA-N 474.508 5.015 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 917119817 XNIKQKBJBWCTFI-QFIPXVFZSA-N 485.996 6.870 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(C)c1 917380326 VDGBLAHUYSGOMZ-HSZRJFAPSA-N 488.016 5.572 30 20 JKED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)cc1 917816833 SEZWNBWJEMHIHB-UHFFFAOYSA-N 459.354 5.086 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cc1 919665559 BZSYLQICIYCGTK-IBGZPJMESA-N 493.903 5.573 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc1 919757100 ZNRKESHCRPKXKZ-UHFFFAOYSA-N 464.594 6.303 30 20 JKED N#CCOc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 919982138 JYHFARPUTXBYSD-HXUWFJFHSA-N 464.352 5.939 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2c(C)noc2C)c1 920354593 DCVDDBZXPQBETG-HSZRJFAPSA-N 476.602 5.323 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 920356836 VMLQWSGFRCELLD-JOCHJYFZSA-N 497.020 5.722 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(N3CCCC3)c(F)c2)c1 920741043 XACCSWQLSZAFBW-UHFFFAOYSA-N 474.561 5.281 30 20 JKED COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 920743481 DRLWSIPARBGSRK-UHFFFAOYSA-N 473.529 5.605 30 20 JKED N#C[C@H](C(=O)COc1ccc(F)cc1Br)c1nc(-c2c(F)cccc2F)cs1 920803757 BNPSZBVUFGEOEX-LLVKDONJSA-N 467.266 5.245 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785792594 IPZZYXKFTRHXCC-MRXNPFEDSA-N 466.969 5.370 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnn5c(-c6ccsc6)ccnc45)CCC3)cc2)C1 1785806808 WQKXKHQHPJPYMG-UHFFFAOYSA-N 483.597 5.172 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5scnc5c4)CCC3)cc2)cc1 1785881705 GOCPKCBZLXIUTF-UHFFFAOYSA-N 466.566 5.158 30 20 JKED C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1785998833 XTDGRNWUSWTXIQ-FQEVSTJZSA-N 499.728 5.085 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Nc3cccnc3)cc2)CCC1)c1ccccc1 1788033163 GZSPQJUINNVHKJ-AJTFRIOCSA-N 480.612 5.213 30 20 JKED Cc1cscc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1788745044 LWCKSDVJDGPBAE-MDZDMXLPSA-N 450.585 5.305 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)cc3)CCC2)cc1 1788983577 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462.569 5.014 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1802503130 QPYBJOADCFDALR-OZXSUGGESA-N 493.623 5.322 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c1 1802777858 BRNAOHIDZZWWMD-FTGWLVSGSA-N 490.966 5.135 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803227514 GUPUDYZFVFWKAK-AKIFATBCSA-N 489.994 5.392 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1803600841 DXMMKMIGDPIYHQ-HBGVWJBISA-N 488.078 5.224 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803997714 BDSBAOYUTPBPPL-HLYQNSETSA-N 497.561 5.588 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)C1 1805458733 WDPFJLRQKVQYJY-UHFFFAOYSA-N 466.025 5.501 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC[C@H](CNC(=O)CCC3CCCC3)[C@@H]2c2cccnc2)cc1C#N 1806208672 DYOVTSOFSJUOIW-YWEHKCAJSA-N 488.632 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@@H]1c1cccnc1 1809689991 RDQUXURFXLBHEB-KOSHJBKYSA-N 480.559 5.153 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1809753204 ILCTYPDXXVKASM-GCJKJVERSA-N 467.660 5.670 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1810171722 FNKXKTOKFOVALY-YIKNKFAXSA-N 467.613 5.252 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1810172743 MLXBWXHHYOJPAZ-CLCZQPDDSA-N 484.600 5.133 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cccc(Cc4ccc(F)cc4)c3)[C@@H]2c2cccnc2)C1 1810469915 OVSKZBNCWKSIDR-NAKRPHOHSA-N 483.587 5.097 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)[C@@H]1c1cccnc1 1810502067 LFRXPPFYISEADT-HYBUGGRVSA-N 497.039 5.005 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c1Cl 1810681550 GDMPVQZILLVZSZ-FDDCHVKYSA-N 497.357 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cccc5c4OC(C)(C)CC5)C3)CC2)c1 1810718198 IYPLSWDOMIYREI-JOCHJYFZSA-N 499.655 5.576 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811418836 BICJGAWQZKYBHT-ATIYNZHBSA-N 495.067 5.923 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1811945101 JHUXNBRIEYZDLM-RBBKRZOGSA-N 473.539 5.412 30 20 JKED Cc1cc(F)c(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1F 1813854232 DMXQRKOYHDVROG-QFQXNSOFSA-N 497.662 5.039 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813968156 NTPFJKLZOOWBRM-REWPJTCUSA-N 489.513 5.328 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(Cl)cc2Cl)n[nH]1 1814367153 XWTAFEFXIKOXHQ-QGZVFWFLSA-N 464.397 5.410 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)ccc2[nH]1 1814738775 FUUIDISVRQVNDY-RUZDIDTESA-N 480.572 5.010 30 20 JKED 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C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)c(C(F)(F)F)c2)n[nH]1 1821861305 OKTKKFHUQKDCMN-LIRRHRJNSA-N 466.479 5.015 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1)C(F)(F)F 1821994792 ZTTMZVZQTCSSGJ-INIZCTEOSA-N 462.497 5.357 30 20 JKED CC(C)c1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1822137139 FNVBVJAVMXMRCK-CHHLAKQQSA-N 490.629 5.269 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216837 OTONSFVCZRRQPQ-QLPRGREVSA-N 483.572 5.065 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 1823299017 BBRLDXQULYQHRK-ACJLOTCBSA-N 452.452 5.086 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1 1823584956 OLQAEEDAHBAQFI-CYFREDJKSA-N 476.644 5.199 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)cc1 1823685887 IFNZHPWWEOEYAC-GDLZYMKVSA-N 499.655 5.213 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2Br)CC1 1823929983 OOOAEIKNEJJQLV-HRAATJIYSA-N 465.407 5.034 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cnc2C)CC1 1824139241 HVJAEMLUAXBVIE-HSZRJFAPSA-N 488.470 5.154 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 1824499202 KAZOBWZPIAZRKY-RJRADHEHSA-N 468.682 5.419 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1824962235 GAVQWYPWLHHFGZ-SANMLTNESA-N 462.659 5.506 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)COCc2ccccc2)CC1)c1ccccc1 1826696469 DUKCQFDBMLHGDO-WDYNHAJCSA-N 486.656 5.020 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccc(Cl)cc4)no3)CC2)C1 1827345798 NKGSUDCYLDVZBB-QHCPKHFHSA-N 467.997 5.195 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cnccc4c3)CC2)c1 1828205490 HVICJYIYUVUEDY-PIKZIKFNSA-N 480.612 5.409 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CC2)CC1)C(F)(F)F 1828340119 ZNWUFKOHOHIUDR-FQEVSTJZSA-N 468.947 5.110 30 20 JKED Cc1cc2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c2cc1C 1828853267 ILBBLUMMTKWIDO-ZBLYBZFDSA-N 497.643 5.354 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829699037 ULUPYOCZTCHHBB-NRFANRHFSA-N 461.027 5.239 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)c1 1829954680 KJTUULCPTWUHBL-MHZLTWQESA-N 478.596 5.167 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1830274367 MCELNGYPDNRHOH-ZEQKJWHPSA-N 494.079 5.827 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)ccc1F 1830361165 ZDLQQSGRRBGQPE-JTAYKCCVSA-N 493.667 5.466 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1830417772 HRBBLEITJWOOSC-MBSDFSHPSA-N 496.479 5.347 30 20 JKED COc1cc(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830463778 ZBMOHHDVKNMOJR-KDYSTLNUSA-N 473.617 5.178 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830629398 YCRGEVIVRPXPGF-RUZDIDTESA-N 485.584 5.060 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)cc1C#N 1830992311 MNKFRUYQGJSWCA-AREMUKBSSA-N 499.611 5.639 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1831375771 DYTYIVUVDLIYGR-UUOWRZLLSA-N 454.014 5.334 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1831377260 XAUYMPWQDSFVJR-CJFMBICVSA-N 473.617 5.873 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)C(F)(F)F 1831455644 NDUYKADXCUWFAS-SFHVURJKSA-N 480.424 5.196 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1831857675 RZPHCWJDPUKJDC-QHCPKHFHSA-N 469.423 5.412 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707589 XXIMHFBNLSYNLQ-LJQANCHMSA-N 496.467 5.810 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 1832707906 NUOMSTRUSPGZTJ-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)CC1 1836696351 GQPYEMXCCDCNAK-UHFFFAOYSA-N 487.644 5.129 30 20 JKED O=C(C1CCC(C(F)(F)F)CC1)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 1845344311 ODVRDRBSDYNNOU-UHFFFAOYSA-N 480.424 5.030 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(Br)cc1 9145724 NDISGKPRVCRMKJ-UHFFFAOYSA-N 497.340 5.643 30 20 JKED C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N(CCC#N)c1ccccc1 9414023 HUHGZIRFXQJDMQ-QGZVFWFLSA-N 482.009 5.273 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccco4)n3C)c2C#N)C1 10014355 ROJODAXXSQWICD-AWEZNQCLSA-N 469.636 5.280 30 20 JKED Cc1ccc(-c2csc3nc(S[C@@H](C)C(=O)NC4(C#N)CCCCC4)n(C)c(=O)c23)cc1C 10792954 ZKFRHADDJDBOMX-KRWDZBQOSA-N 480.659 5.102 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1cccc(Cl)c1 10836271 DNTVKTPYMVEWIG-UHFFFAOYSA-O 452.770 5.691 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)n(C2CCCC2)c1C 12256232 MAZWYPXPDBSWQB-UHFFFAOYSA-N 469.541 5.118 30 20 JKED COc1cccc(NCc2nnc(SCc3cn4ccccc4c3C#N)n2C2CCCCC2)c1 14728728 WWSJVFRYDYCWKO-UHFFFAOYSA-N 472.618 5.821 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)Nc1ccc(C#N)c(Cl)c1 16788003 CJKLOXSGKMKTPQ-HNNXBMFYSA-N 463.950 5.231 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nnc1-c1ccoc1C 18779745 HQDQCHWBGFBHQM-UHFFFAOYSA-N 451.577 5.195 30 20 JKED N#CCCN(C(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1 19164692 WGINKEHZSMLUIV-UHFFFAOYSA-N 451.482 5.112 30 20 JKED Cc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 20923375 DQJDEYWQYYSRHU-UHFFFAOYSA-N 455.923 5.132 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 21644723 XXQZZEYDCOJOKI-HXUWFJFHSA-N 471.586 5.322 30 20 JKED C[C@H](Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)C(=O)NC1(C#N)CCCCC1 22181211 GUCCQUSUWXGHME-LBPRGKRZSA-N 471.530 5.004 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(O)c2)cc1C 22732551 LUXURLAXYHVUOV-UHFFFAOYSA-O 470.412 5.418 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)nc2sc(C)c(C)c2c1=O 23559465 MOKDUSOLYOVBIG-UHFFFAOYSA-N 493.658 5.103 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccco2)c1 23609879 RGNTVTQKIQBGLF-FQEVSTJZSA-N 486.601 5.026 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 28778089 XBCNXJOQABSAIJ-UHFFFAOYSA-O 478.594 5.629 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)n1 29439211 GLLSQTOJBARVNK-UHFFFAOYSA-N 452.889 5.281 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 29752903 XDGTUKJIHDAKBS-OAHLLOKOSA-N 453.420 5.235 30 20 JKED C[C@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)N(CCC#N)c1ccccc1 31692981 XHPMPJIWYXLQHO-AWEZNQCLSA-N 488.436 5.472 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nnc1-c1ccc(F)cc1 31844030 JOCPRHKNXFEYJE-UHFFFAOYSA-N 468.579 5.703 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2cccc(C)c2C)n1 32787115 HAXYTKASUNXETK-UHFFFAOYSA-N 489.670 6.105 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 195664251 HBRKNIJPLDKTER-HNNXBMFYSA-N 459.333 5.786 30 20 JKED C[C@@H]1CN(c2ccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2F)C[C@@H](C)O1 248250076 LOKPJKJICZAHJF-BRWVUGGUSA-N 470.614 5.080 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1Cl 409777858 RUBDDGHFJMZYKH-NOZRDPDXSA-N 488.975 5.435 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3NS(=O)(=O)c3ccccc3)c2)cc1 486094206 JURZCDFXOFJBRE-UHFFFAOYSA-N 469.522 5.404 30 20 JKED C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2C1 492094111 IRUZFBUPQVVSGN-KTXUMSRNSA-N 489.579 5.180 30 20 JKED CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1 499111344 SYDOFZCQYHFIGD-UHFFFAOYSA-N 499.489 6.057 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2OCC)nnc1-c1ccc(Cl)cc1 499267777 RPWFWGOUIAEHQV-INIZCTEOSA-N 456.999 5.153 30 20 JKED Cc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C(C)C)cc1 501461284 KBPAVSYMWCNXMD-SANMLTNESA-N 455.558 5.033 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)C3(c4cccc(Br)c4)CCCC3)CC2)c1 501710752 BYUYGKLSAMCGMT-UHFFFAOYSA-N 480.406 5.010 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C)[C@@H](C)c1ccc(C#N)cc1 509597658 CDIRIQVZVZFBCA-SFHVURJKSA-N 465.550 5.030 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 510126281 AXGBZOHFCXSTEP-UHFFFAOYSA-N 499.464 5.250 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1 511313835 GBHDSLKYUSJCCM-UHFFFAOYSA-N 469.463 5.594 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)cc1 512544801 JYIHCLVNXMJAFE-JOCHJYFZSA-N 463.921 5.219 30 20 JKED CCN(C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12)[C@H](C)c1ccc(C#N)cc1 512797869 REDOYALWKXCYMV-HXUWFJFHSA-N 481.596 6.266 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513677574 YNCVEYCMOLXEOQ-LBPRGKRZSA-N 452.586 5.259 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C(=O)Nc2ccccc2)cc1 514723330 DECZGUUOSGAGHT-UHFFFAOYSA-N 461.635 5.037 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nc2ccccc2c1=O 515599029 XFRICHRBEUDZDA-UHFFFAOYSA-N 483.018 5.669 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 516006829 NNDJADDNUZVUSO-UHFFFAOYSA-N 468.307 5.229 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4cc(Br)ccc4o3)n2)cc1 516269866 BDLPMIRRZZKKAS-MRXNPFEDSA-N 453.317 5.817 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1 516270032 KVIIVIIROLEBKO-QFIPXVFZSA-N 466.497 5.563 30 20 JKED C[C@H]1CN(c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cn2)C[C@@H](C)O1 516461406 YYOZLUWEQIRQLB-JZXOWHBKSA-N 452.624 5.032 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCC(=O)c3ccc(F)cc3F)s2)c(C(F)(F)F)c1 517425249 SOBUCTSJAVUSMK-UHFFFAOYSA-N 479.430 5.504 30 20 JKED COc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1ccc(Cl)cc1 517456334 NLXOIANXTICXQM-KRWDZBQOSA-N 466.990 6.432 30 20 JKED COc1ccc(C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2ccccc2)cc1OC 517913431 JWJKBFNXAZYJLV-SANMLTNESA-N 485.584 5.112 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 518652944 MTUOLXHSWKEKEZ-INIZCTEOSA-N 476.627 5.252 30 20 JKED C=CCn1c(SCC(=O)N2CCC(CN(CC)CC)CC2)nnc1-c1ccc(Cl)cc1Cl 519902437 BUDZMPNVPCUVDU-UHFFFAOYSA-N 496.508 5.110 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 519956861 DIWUOGZFKIOCDX-UHFFFAOYSA-N 471.410 5.106 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4c(F)cccc4F)n3)n2)cc1 523959492 VCLHDKLLPREHBS-CQSZACIVSA-N 453.495 5.710 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(Br)s1 524382831 YYILUNWAGNRFOA-UHFFFAOYSA-N 463.378 5.071 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc1C 524420380 BZJYUSLUQZHZHQ-JOCHJYFZSA-N 463.585 6.506 30 20 JKED COc1ccc(CCNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OC(F)F 586255243 VIPYQCHGKGCJAF-RYUDHWBXSA-N 478.380 5.048 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@H]2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 588704426 VVLBKTYIVOAMBC-IRLDBZIGSA-N 456.011 5.332 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)NCCSCc4ccccc4C#N)cc3)o2)c1 603007471 JLGSQHDQLDTNCO-UHFFFAOYSA-N 454.555 5.247 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)cn2)c1 603623231 OIBVCHHXXUKQBQ-UHFFFAOYSA-N 452.445 5.389 30 20 JKED Cc1ccc(Oc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cn2)cc1 604450728 JEFSKBCQHWOLCD-UHFFFAOYSA-N 468.473 5.120 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 608804883 GMBQPSYDRSARGC-DEOSSOPVSA-N 467.912 6.291 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 608840960 HCWZDRYQPZTDEQ-FQEVSTJZSA-N 483.503 5.951 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3ncccc3OCCCC#N)c3cnn(C(C)C)c3n2)s1 608868609 NFXKLQDPQNDJCT-UHFFFAOYSA-N 460.563 5.379 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc(OC)c1OC 609007644 FXNCKMFPNIJBES-MRXNPFEDSA-N 491.491 5.158 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cc(Br)ccc1Cl 609015701 JUQCRQJRAPCDOI-UHFFFAOYSA-N 478.755 5.271 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2F)o1 609151755 VPIIESYOLPBASN-UHFFFAOYSA-N 459.908 6.172 30 20 JKED CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1SC[C@H](C)C#N 609377841 PRECAALAAIHUBZ-JPYJTQIMSA-N 451.636 5.629 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 609431043 KVWZMBASCZGBLR-QGZVFWFLSA-N 475.664 7.114 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cn1)c1ccccc1 613289776 UTUMODZIEJOQKQ-DNVCBOLYSA-N 470.554 5.301 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc(C3CC3)nc21 613319197 VTIQNXXQASAPKH-SFHVURJKSA-N 461.978 6.157 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)no1 613320018 QDIDBNLISMVLRJ-KRWDZBQOSA-N 450.907 5.224 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 613403839 KERLNGOWYUTWFQ-NRFANRHFSA-N 497.505 5.842 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccc(Cl)cc1 613405031 TZPYXDAYYFLEAI-HNNXBMFYSA-N 460.868 5.953 30 20 JKED C[C@H](COc1ccccc1C(F)(F)F)NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 619385909 SLBABEWRXTYIBH-WOPDTQHZSA-N 480.371 5.681 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C 620347556 WOJLOLJASXZMPE-GOSISDBHSA-N 493.514 6.199 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc(OC)c1OCc1ccccc1 642282525 ZYVMLBRICMCECQ-SFHVURJKSA-N 477.467 5.518 30 20 JKED C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nc2sc3c(c2c1=O)CCC3 670195421 WWTPJCQVSSPYLC-UHFFFAOYSA-N 482.656 5.014 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)nc2sc(C)c(C)c2c1=O 676373425 BUHKCEGQKWTTNL-HXUWFJFHSA-N 483.659 5.115 30 20 JKED Cn1c([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)nc2ccccc21 726270153 WYYUCEXPUGJSIG-LSYYVWMOSA-N 471.564 6.140 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 726397780 IZMIYBJSGHIHPT-HNAYVOBHSA-N 494.444 5.687 30 20 JKED CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 726427787 XISNJKMMAXDWDL-XGICHPGQSA-N 489.380 5.513 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)n2ccc(=[N+](C)C)cc2)c1 726572748 MLOQVLPUBSAPQQ-UHFFFAOYSA-O 470.643 5.348 30 20 JKED Cc1ccccc1NC(=O)C(=Cc1cccc(OCCCC#N)c1)C(=O)Nc1ccccc1C 726742512 RLJZJXINLXYKDW-UHFFFAOYSA-N 453.542 5.647 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C#N)cc2)c1 728425341 FDAUUWGGNFTWJR-DEOSSOPVSA-N 497.555 5.038 30 20 JKED C#Cc1cccc(N(C)C(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)c1 728483075 IJCOSYFYINSQOU-UHFFFAOYSA-N 473.648 6.213 30 20 JKED C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 729037141 WGMMSRWJEIEZMI-DFBJGRDBSA-N 460.528 5.531 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2scnc2C)c1 729145178 JKFSCKFAFQRYPC-OAQYLSRUSA-N 494.642 5.183 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 729375294 CUDQNYRGYURBGL-UHFFFAOYSA-N 483.977 5.287 30 20 JKED CS(=O)(=O)Nc1cccc(C(=O)/C=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1 729820461 RWVPOJBIEWNUST-LUAWRHEFSA-N 472.906 5.308 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730461915 ULLHKXGJKPZCQU-SFHVURJKSA-N 481.927 5.872 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)cc1Cl 730463493 YETDFNQXSUOCIB-LJQANCHMSA-N 479.936 5.140 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3ccccc3F)C2)ccc1Cl 730507310 RYLNBMXTIXOYOX-HXUWFJFHSA-N 499.007 5.490 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CC1 730525410 BFFMWCKFZFSTBP-IBGZPJMESA-N 472.408 5.134 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2c(C)nn(Cc3ccccc3Cl)c2C)c1 730564588 FMNCJIDAPTWFLJ-UHFFFAOYSA-N 481.025 5.160 30 20 JKED CCCCOc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)ccc1OC 730584558 VEPLNAARHHEFLQ-UHFFFAOYSA-N 481.405 5.522 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731062116 GBSZMYIHYDIYLX-AWEZNQCLSA-N 469.950 5.351 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccccc2Cl)n1 731068586 CBAGSHOJUUYDIJ-HNNXBMFYSA-N 486.018 5.582 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)cc2F)cc1 731305022 DZOPSSNPZNXIAS-QFIPXVFZSA-N 481.524 5.139 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c1C 731377304 AJRAUPQHVKEMOY-UHFFFAOYSA-N 479.536 5.729 30 20 JKED Cc1cc(/C=C2/CN(Cc3ccccn3)C/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc(C)c1O 747317350 QXRUDAKXAIGDJD-LZCXMDQRSA-N 454.570 5.278 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3cscn3)C2=O)c1 747603803 VCAPIXKLCYULRB-QHCPKHFHSA-N 490.654 5.409 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O)Nc1ccccc1 799211054 ZNYQZYUIYYVXCV-IBGZPJMESA-N 457.477 5.362 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O 799219708 WXBYYOLJHLXLBG-MRXNPFEDSA-N 473.879 5.310 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3)n2)n(-c2ccc(F)cc2)c1C 811596126 DGKYZFRNPXMPCX-UHFFFAOYSA-N 474.517 5.024 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1OC 817844411 UFOZXKLXHXEGEV-LCYFTJDESA-N 478.980 5.550 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1ccccn1 837302542 XXIQYJXNGSXWQM-JTSKRJEESA-N 462.550 5.251 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccs2)C1=O)Nc1ccccc1F 838546083 NCNICGJVJUIPPU-IBGZPJMESA-N 475.517 5.326 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 838546246 GTPJUALIDKLIQB-HXUWFJFHSA-N 495.979 5.314 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1cc(C)n(C2CCCCC2)c1C 839414355 DQTBHZJDHJTOCT-UHFFFAOYSA-N 453.612 5.350 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc3cnccc23)ccc1Cl 875870151 LRVPBZMRBGOPBO-UHFFFAOYSA-N 477.973 5.522 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 912828562 YYUHPYQSVWHHFS-UHFFFAOYSA-N 490.416 5.099 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@H]2C[C@H]3CC[C@H]2C3)[n+]2ccc3c(c2)CCCC3)C=C1 912842416 CVYBWWOMGFETJT-JTJYXVOQSA-O 490.693 5.249 30 20 JKED CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)CC1 915087067 PDELXQXQMCZGDU-SANMLTNESA-N 473.598 5.015 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102863 JOSXJAMSNDFIOM-CQSZACIVSA-N 475.382 6.037 30 20 JKED CCOC(=O)N1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 915102978 MNADRNJCOIRRGT-HNNXBMFYSA-N 452.363 5.162 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(CC2CCC2)C1=O 915116517 IUTNIZRQLOURGL-QFIPXVFZSA-N 451.592 5.072 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CC)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 915164867 VJKHQUJUFLDJTC-IBGZPJMESA-N 456.999 5.153 30 20 JKED Brc1ccc(-c2nc3ccccn3c2C=NNCc2cccc3cccnc23)s1 915962631 KUTULLFMXNJPBR-UHFFFAOYSA-N 462.376 5.497 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl 916276582 CDZMXSQYUSMYNK-UHFFFAOYSA-N 499.379 5.651 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C=Nn1c(S)nnc1[C@H]1COc2ccccc2O1 916321174 TVSDCBZRDDGHPC-XMMPIXPASA-N 494.580 5.123 30 20 JKED N#CCc1ccccc1C(=O)OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 916605019 WARYGNPUAJYBRG-UHFFFAOYSA-N 485.540 5.405 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCc1ccncc1 916678785 AJGFOHAKNAINCG-IDISGSTGSA-N 492.579 6.207 30 20 JKED CN(Cc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916723175 WNDBDCGBJHTFND-FVDSYPCUSA-N 478.618 5.097 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)c2C)cc1 916902181 FDYFNUPOXPGLLM-FQEVSTJZSA-N 465.937 5.034 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916903116 OFWSLFWJCOIOLK-FQEVSTJZSA-N 471.944 5.621 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916924780 BJEWUGMLSORAIR-OAQYLSRUSA-N 464.974 5.992 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3cscn3)c(OC)c2)cc1 916955510 RDFLGCMDNDKOEF-IIBYNOLFSA-N 463.559 5.205 30 20 JKED COc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3-c3ccccc3Cl)s2)cc1 917026804 TXNZDBBMRQGCNU-UHFFFAOYSA-N 477.402 5.632 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1 917035027 AOZPNNKAGNGJTN-DEOSSOPVSA-N 487.506 5.080 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044870 VLBQSBFWOOULAP-WCQYABFASA-N 463.868 5.198 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)S1 917623470 QKKDQSXWLAJVLZ-XSFVSMFZSA-N 474.627 5.887 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(CC)c1 917690513 XTYRHXWDOPBIGO-FQEVSTJZSA-N 493.551 5.265 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 918487598 RCQMAOAJGCCSAW-HXUWFJFHSA-N 496.748 5.316 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3cnco3)c2)ccc1Cl 918651910 UOURIYYRTYIHSO-UHFFFAOYSA-N 493.972 5.629 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 919666671 LSMJPXZHQSHTBG-LJQANCHMSA-N 483.952 5.463 30 20 JKED C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 919769616 TYQZXNHKJJZWOD-YFKPBYRVSA-N 495.244 5.604 30 20 JKED N#CCOc1ccccc1C(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 919978235 IPBHLMIBNWYOBJ-GOSISDBHSA-N 498.402 5.301 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920105792 MGTFOBMHRMMYAX-QGZVFWFLSA-N 475.957 5.957 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 920110814 WITRMOLZGWZQHA-KRWDZBQOSA-N 497.382 5.418 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C[C@H]2CCCO[C@H]2c2ccccc2)C1=O)NC1CC1 920354953 ISUSSVFBEXTRLY-OUOWLKGYSA-N 498.048 5.108 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1OCC 920963777 QZNNTRSZUVIGQZ-MRXNPFEDSA-N 475.383 5.220 30 20 JKED C[C@H](OC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 923551010 RMPHDFHXAGQXBW-KNQJERJVSA-N 487.730 5.638 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2cc(Cl)ccc2Cl)C1 1781610730 DUGCNFRPRZWLQK-ZEQKJWHPSA-N 493.475 5.208 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CCCC(=O)Nc4ccccc4)cc3)CCC2)c1 1786111579 RFVCEWRDSYOFLZ-UHFFFAOYSA-N 498.558 5.254 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4OCCc5ccccc54)cc3)CCC2)c1 1786314395 NKWYIJXWJFGNEH-RBTNQOKQSA-N 493.607 5.765 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCC2)cc1 1786367475 QQQWHAVDGSROBU-UHFFFAOYSA-N 493.585 5.540 30 20 JKED Cc1nc2ccncc2cc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1789247896 IKAYHZHDGWPZBZ-MDZDMXLPSA-N 496.592 5.187 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(Br)c4[nH]3)cc2)CCC1 1789329127 NRUQNQHLOIRDQU-UHFFFAOYSA-N 464.363 5.092 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccn4cncc34)cc2)CCC1)c1ccccc1 1789361496 HQXFBGDTTMVGAL-VWLOTQADSA-N 476.580 5.279 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c(F)cncc3F)CCC2)cc1 1789508022 BWEYPUVVBBHIBH-UHFFFAOYSA-N 469.608 5.159 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)cc3)CCC2)cc1 1789532468 JPJJRCQBYORRHT-GSDHBNRESA-N 479.605 5.388 30 20 JKED C[C@H](C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1)c1ccc(Cl)cc1 1789574076 PFEOPVWFFDAZLJ-CTOFZRSPSA-N 463.965 5.290 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)on1 1790161990 AOWBSHANCDPCTO-UHFFFAOYSA-N 462.937 5.385 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3cc(Cl)ccc3OC)cc2)CCC1 1791185664 DTHWUAIGGGKKIK-UHFFFAOYSA-N 470.997 5.008 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3OCc3ccc(OC)cc3)CCC2)cc1 1791249564 USHAHKJNERRIIG-OAQYLSRUSA-N 499.611 5.629 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(N)c(Br)cc3C)CCC2)cc1 1791727975 PDKSSRRHYTVIMS-UHFFFAOYSA-N 482.422 5.281 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792169712 VPGJFDJHULUGIV-UHFFFAOYSA-N 463.603 5.012 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccc(Cl)c4Br)cc3)CCC2)CC1 1792178367 GTIILTCTMQSAQO-UHFFFAOYSA-N 472.770 5.154 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3CCCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204161 ONKCYZLWXGEDNY-QFIPXVFZSA-N 469.626 5.170 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccccc3F)CCC2)cc1)NC(=O)OC(C)(C)C 1792205237 UHLXADAEOPQPMM-NRFANRHFSA-N 495.595 5.433 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CCC2)cc1 1792236460 HKVCYXAHWGHKKE-JWQCQUIFSA-N 483.543 5.014 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3C3CC3)CCC2)cc1 1792240958 XTFSUKPPSNGXEK-UHFFFAOYSA-N 465.553 5.262 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@H]1c1ccccc1N2)c1ccccc1 1795943693 TUOBPLKAZOFHMM-CLOKHNFSSA-N 495.667 5.200 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccnn2C)c(Cl)s1 1796514229 CLGDUVGJVPFVLZ-BJWYYQGGSA-N 475.058 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nc(Br)sc3c1)C2 1798334781 JHMMOTNFKFGQLD-XMTFNYHQSA-N 488.451 5.079 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3cc(Br)cnc13)C2 1798338039 OPAQEWIOTFZRPD-WOZUAGRISA-N 482.422 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C2 1798592976 ZRMJBVAOGHWMFJ-GPJHCHHRSA-N 489.701 5.044 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(CC#N)cc2)c1 1800543477 WDGXIMJSTSFBAY-BKFWDETESA-N 494.433 5.204 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1804177058 SSSPLPWOJOJXFU-YWEHKCAJSA-N 485.653 5.296 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)[C@H]1c1cccnc1 1810498273 LMSVQEGENRIOJT-PXNSSMCTSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1810500265 NVOFVWLIKXXOAE-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)C2)CC1)C(F)(F)F 1810731534 HNZFYGHPPUPXKP-UHFFFAOYSA-N 467.919 5.093 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[C@@H]1c1cccnc1 1811263582 HSOOJDDHOPBWIK-OSADXMDESA-N 493.611 5.157 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1811749126 MIANYJIBBAHMCZ-NTPMPWFXSA-N 493.051 5.389 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1811768288 NMFKNLCVOBOFCT-OFNKIYASSA-N 471.523 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813967051 HRKXXGUZEMQBTJ-SIKLNZKXSA-N 491.529 5.552 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(F)c(F)c3)n[nH]2)c1 1814665165 NFICSFOENLGBDL-BXKMTCNYSA-N 491.542 5.254 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(F)cc4)CC3)n[nH]2)c(Cl)c1 1815626244 MNZSIJNSMAVBJJ-QFIPXVFZSA-N 491.954 5.112 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1 1816098299 OIFKIVBHAHDEJA-DEOSSOPVSA-N 475.593 5.002 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1816461836 BCSGSCULLNOZPS-HSZRJFAPSA-N 487.604 5.419 30 20 JKED Cc1ccc2oc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)cc2n1 1817692287 KNZCHAFTGJCXLY-AOMKIAJQSA-N 482.544 5.106 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3[nH]2)n[nH]1 1818988927 LBFXRUCYNVQWTD-NRFANRHFSA-N 469.536 5.468 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4ncsc34)sc2C1 1819255352 STGSJOIIGMPFTQ-MRXNPFEDSA-N 496.734 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(OCC(F)(F)F)n2)[nH]n1 1819553187 YNOCFEMRHHJUEC-SFHVURJKSA-N 493.530 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cccc(OC)c23)n[nH]1 1821490546 OCRRAVPZPIXNKA-FQEVSTJZSA-N 463.582 5.198 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823210289 BLIBHVOWAGUWOO-NLFFAJNJSA-N 485.588 5.120 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)s1 1823290753 BKZZVCFCESAOGR-FQEVSTJZSA-N 477.590 5.058 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)c1 1823671305 OYLZHGUQYDWMSZ-SBUREZEXSA-N 499.442 5.563 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3[nH]c4ccc(Br)cc4c3C)CC2)C1 1823703117 OHOBBBGVNRWCNV-QHCPKHFHSA-N 498.465 5.438 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1824055684 BMRQRGLEXOJHGD-RUZDIDTESA-N 481.999 5.217 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1 1824144942 NKVBWSCWHDRUMI-AREMUKBSSA-N 451.655 5.019 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1824508014 GYFMBCQHWSNLIG-ZBLYBZFDSA-N 478.608 5.317 30 20 JKED O=C(c1c[nH]c2cccc(Cl)c12)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826525236 JOJOZTLVOFOTMG-VWLOTQADSA-N 474.004 5.106 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CS[C@@H]2CCCCO2)CC1)c1ccccc1 1828959361 BZYVSPTZTOSQBV-ZRRKCSAHSA-N 496.717 5.063 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2cnn3C)CC1)c1ccccc1 1829033418 WSSYLDFXTRCIOC-NAKRPHOHSA-N 496.655 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1829066634 OJCHBJULWDRXFO-DEOSSOPVSA-N 477.649 5.876 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1829955111 XVHFWJTTXYIUTR-RUZDIDTESA-N 474.992 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830442691 YNDBTFQYWHKIQQ-SHQCIBLASA-N 482.640 5.616 30 20 JKED Cc1ncsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601849 JWCDHKLRHZEQAH-MHZLTWQESA-N 497.664 5.398 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1)Oc1ccccc1 1831235310 OLGZAVKAKZGESV-SXDGJLEOSA-N 487.644 5.405 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)CC1 1831238193 CLJFNJHOMSIMGQ-HPEBZSCQSA-N 491.720 5.504 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)CC1 1831302757 YBYPPSHFGVGOBC-VWLOTQADSA-N 484.681 5.249 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1)C(F)(F)F 1831453152 SJEFVAHPSAAVCV-FQEVSTJZSA-N 468.947 5.110 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1)c1ccc(O)cc1 1831924659 KOXNZXIGJHCYKV-PWLQFARKSA-N 490.669 5.284 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1832025389 YMQCDIMJHHTHFC-MVSFAKPFSA-N 488.672 5.515 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3F)CC2)c(Cl)c1 1832395152 JCSFPBYTRSAHRR-RUZDIDTESA-N 481.999 5.217 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832550131 NEJNEJFRQIHVIP-VWLOTQADSA-N 491.607 5.340 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564015 GFLJDUQGWZEDIS-LEWJYISDSA-N 481.464 5.108 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 1832634887 QIAPYDNKBIZQGO-FNZWTVRRSA-N 478.036 5.443 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1C#N 1832703672 PATONYOJDSXVKF-RUZDIDTESA-N 494.035 5.546 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1832736309 BIZPVAYNXKBAED-DEOSSOPVSA-N 488.072 5.524 30 20 JKED C[C@H](CC(=O)N1CCC(OC2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1)c1ccccc1 1838390445 AASBKNXZVUKXIH-XMMPIXPASA-N 496.768 5.230 30 20 JKED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)C1 1845048493 OCKLTWUGIMCMOW-XYVRPBRGSA-N 497.680 5.196 30 20 JKED C#CCCCCC(=O)N1CCCC12CN(C(=O)c1ccc(-c3cc(F)ccc3OC)cc1Cl)C2 1846489096 ILWPXMFJHDHERJ-UHFFFAOYSA-N 482.983 5.165 30 20 JKED N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 9823721 KGQPJYSGFDNSPJ-UHFFFAOYSA-N 494.407 5.903 30 20 JKED CC(C)c1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1cccnc1 9965863 LHJVLFGIOOXMIH-SFHVURJKSA-N 468.586 5.444 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2ccccc2CC)cc1 10173809 NIKOJFBQLLCJKV-UHFFFAOYSA-O 484.439 5.749 30 20 JKED C=CCn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 11371973 PJCBPBCWMXWXCJ-HXUWFJFHSA-N 465.575 5.077 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nc2scc(-c3cccs3)c2c1=O 11382681 VAMWEVJLHRSRIM-UHFFFAOYSA-N 469.613 5.112 30 20 JKED COc1cccc(-c2nnc(SCC(=O)N(CC#N)c3ccccc3)n2-c2ccc(Cl)cc2)c1 11461534 KKENFJJCSPDIQD-UHFFFAOYSA-N 489.988 5.245 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccc(Cl)cc1 12477334 PVEYOPFVZQADIO-UHFFFAOYSA-N 495.052 5.920 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(N(C)C)cc2)c(Cl)c1 15248342 KQSMJYWBTBLNAV-UHFFFAOYSA-O 467.058 5.978 30 20 JKED Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1 16440395 LOQAVXSPGBSWLT-YBFXNURJSA-N 498.358 6.126 30 20 JKED C=CCn1c(Cc2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)n[nH]c1=S 23041828 ICWKMKZKSOUDKN-UHFFFAOYSA-N 461.616 5.335 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1[C@@H]1COc2ccccc2O1 23517642 FJBAANVJQZXDNM-QRWLVFNGSA-N 470.982 5.058 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c(=O)oc2c1 72025302 CZROWBMRKQRYPR-UHFFFAOYSA-N 468.509 5.654 30 20 JKED Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cnn1-c1ccc(F)cc1 72040179 ZCGBWAJSRRSAJP-NTEUORMPSA-N 459.908 6.122 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2n1C(F)F 195727837 XYRXOEYXPJVXOD-NSHDSACASA-N 463.296 6.352 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)C(C2CC2)C2CC2)ccc1Cl 215756397 ZWRVUWPJTVCYMP-UHFFFAOYSA-N 493.456 5.635 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccccc1F 216507188 NPHGJWNTXYVUBV-INIZCTEOSA-N 452.555 5.228 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1 255930385 HDZJLQRBKVEUAG-AWEZNQCLSA-N 463.390 5.469 30 20 JKED COc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 486908124 JCNXDWFEWIQOJK-QHCPKHFHSA-N 475.976 5.037 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1)c1ccccc1 489253603 NEDCONLCZRTIBJ-UHFFFAOYSA-N 472.614 5.205 30 20 JKED N#C[C@H](C(=O)c1cc(Br)c2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 501290304 QMIBCUNISTVHME-CQSZACIVSA-N 475.751 5.487 30 20 JKED CCOc1ccc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 505173195 MCQYOPFZOGFDJN-IBGZPJMESA-N 459.546 5.622 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 508143611 ASYSEPOQSUJONS-UHFFFAOYSA-N 482.609 5.726 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1Cl 510011871 WPZPHVZSTVLETB-ZCYQVOJMSA-N 474.992 5.018 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OC 510130733 PYKGPQNDQOBSSQ-JOCHJYFZSA-N 490.629 5.642 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 512316357 VGQMRRPQOGGKQF-GOSISDBHSA-N 479.552 5.126 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c2cnn(C(C)C)c2n1 513187216 WHNAHGULTXLHIW-LJQANCHMSA-N 463.463 5.892 30 20 JKED CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1cccc(C)c1 513275377 DPMHNJDQIFBFKE-MRXNPFEDSA-N 465.648 5.595 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc2ccccc2s1 513655417 QOCCKHYJYFYZLW-IBGZPJMESA-N 450.523 5.648 30 20 JKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1 513687238 OKBYOMWJKUQTOQ-INIZCTEOSA-N 462.918 5.960 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccco1 514357875 DZRWQTIWUKZCIS-SFHVURJKSA-N 464.616 5.343 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)s2)cc1OC 514560430 OUXUOZJLHUDYDH-GFCCVEGCSA-N 453.589 5.446 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)c(C#N)c2)c(OC)c1 514740499 PFUVTBBRIXRGOS-UHFFFAOYSA-N 458.905 5.334 30 20 JKED N#Cc1ccc(-n2c(SCc3csc(-c4ccccn4)n3)nc3ccccc3c2=O)cc1 515175761 GRIKCBYELAUIRD-UHFFFAOYSA-N 453.552 5.068 30 20 JKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F 515539299 MCMKHUHOBHUKTK-FQEVSTJZSA-N 467.479 5.833 30 20 JKED Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)n1 515647089 FVLXOOKZWDVMOG-UHFFFAOYSA-N 456.527 5.541 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCOCC1 516319084 DBEPUBCEDXNKDO-UHFFFAOYSA-N 497.901 5.031 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)c2)c1 516431109 KGFJEKGBDQACKN-MHZLTWQESA-N 495.966 5.635 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)cc1C 517105103 GAZMEJKXYUNSSS-UHFFFAOYSA-N 463.559 5.039 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517820825 MGVYQTMYGGQZEW-HSZRJFAPSA-N 458.924 6.189 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 518115948 JYSGUFDNWBIVNK-UHFFFAOYSA-N 482.743 5.731 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 518164926 IZXCUIWYWKPEQX-KBXCAEBGSA-N 476.465 6.402 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 518662988 WWMLAHMIEJPZKH-DEOSSOPVSA-N 487.406 5.892 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)s2)c(C(F)(F)F)c1 518699776 OKKVXWKHFPEISX-IBGZPJMESA-N 498.530 5.115 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)s2)cc1 519953679 AZUWXJLAMKIXAI-UHFFFAOYSA-N 481.603 5.070 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 521494903 DNGYEEPFGOLYFP-AFMDSPMNSA-N 453.542 5.289 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 524427921 LUCAWAGONLJEOV-XMMPIXPASA-N 461.949 5.243 30 20 JKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 559773748 WPFORCMEVIIDJA-IBGZPJMESA-N 455.320 5.505 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccncc3)n2-c2ccccc2)sc2c1CCCC2 589833850 VFBBFOGLUOWMIA-UHFFFAOYSA-N 486.626 5.262 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)n2)cc1 591862274 MZRAWUUHUHZGCQ-JOCHJYFZSA-N 469.522 5.200 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 593021740 UHBCXJCMQXOEIK-GDNZZTSVSA-N 475.311 5.395 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)s2)cc1 602092212 JJFAYIQPOCKVEK-UHFFFAOYSA-N 457.886 5.079 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 603601165 SOFZSASHSSHHOG-UHFFFAOYSA-N 479.471 5.957 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)no1 603758506 ZRTNVSIISLQTGF-UHFFFAOYSA-N 499.474 5.147 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1C 603909904 YWPUYXYVKDKVGC-UHFFFAOYSA-N 459.600 5.789 30 20 JKED COc1ccc(CCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c(OC)c1OC 603957685 ATVYOJIKVRWIJU-UHFFFAOYSA-N 462.521 5.198 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 603992025 NQJADZLBHPEXHA-UHFFFAOYSA-N 499.617 5.463 30 20 JKED CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 604142366 KBSAKTRFKIHECU-UUOWRZLLSA-N 475.976 5.599 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 604449792 AOMUEYGCQHOLKQ-UHFFFAOYSA-N 495.499 5.268 30 20 JKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 604484879 IMWHUQOHZNHXHR-GOSISDBHSA-N 457.603 5.053 30 20 JKED CC[C@@H](c1ccccc1)c1nnc(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)o1 609018729 NZENRAPDQOGBDK-IBGZPJMESA-N 454.983 5.612 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 609027701 DMCHCLIIOZCOQG-NRFANRHFSA-N 461.587 5.615 30 20 JKED CCOc1ccccc1[C@H](CC)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609088701 BXFQDFDJZWWLGK-QHCPKHFHSA-N 491.975 5.395 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)cc2F)c1 609123695 BILCMJXRGWEXBL-LJQANCHMSA-N 480.490 5.203 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C 609192274 KFHSNRRIMWDKTL-RCDICMHDSA-N 475.408 5.088 30 20 JKED COCCOc1ccc([C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 609208995 NDLFNYGWWMBWBN-SFHVURJKSA-N 461.518 5.267 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cc1C 609382628 JQSJSPULOFXRGL-QGZVFWFLSA-N 479.627 5.608 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1 609428246 HEEBLFSBPFLTQU-LJQANCHMSA-N 479.627 5.467 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1 609430310 MKGGPDMXHGTFCM-UHFFFAOYSA-N 465.582 5.698 30 20 JKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542446 QWMSLVVASOWXSS-CHWSQXEVSA-N 450.354 6.213 30 20 JKED Cc1c([C@H](C)NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 618553501 DCACABXFZXRXPM-IACUBPJLSA-N 466.401 5.153 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2n[nH]c(-c3ccccc3Br)n2)ccc1Cl 619818588 GETZZJQNBUJYGP-UHFFFAOYSA-N 490.814 5.235 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622092899 KZPCQMSFIDJABW-LERXQTSPSA-N 464.372 6.317 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 726321439 GZXKSOIBKPGYBK-VTLFHKLASA-N 484.065 6.285 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H](C)c1cccnc1)c1ccc(Cl)cc1Cl 726397878 QSEWLXBSMYUOKY-CNBLAZRZSA-N 491.444 5.179 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(C)C)C2=O)c1 726415927 PZKNTGRWDDNJCF-HSZRJFAPSA-N 499.633 5.107 30 20 JKED COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 726696363 NXTJJIZPLULJQP-PKTZIBPZSA-N 460.965 5.404 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SC[C@@H](C#N)CCC#N)cc1Cl 726796538 DIYATGGWJKIDCR-JVVDOCDTSA-N 456.980 5.331 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 726892611 VMLPAGRBABPXPA-KKSFZXQISA-N 494.642 5.490 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCc2ccc(OCC#N)cc2)s1 727677515 CANYQOIOKGJNNJ-UHFFFAOYSA-N 484.581 5.324 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 727997189 UCPOJKBEUQXUAU-UHFFFAOYSA-N 486.549 5.265 30 20 JKED C[C@H](Cc1ccccc1Cl)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728139316 ODFQNQKRGIUSEA-MRXNPFEDSA-N 482.367 5.130 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728187221 UWSGKJCYMOOZIM-UHFFFAOYSA-N 474.923 5.735 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 729631033 DGKGBCXTZSFTNV-RPBOFIJWSA-N 498.583 5.654 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)cc1Cl 729890241 ZWEMMUOYJIJUQV-LBPRGKRZSA-N 498.185 5.940 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CCC2)c1 730459089 GKRMRZGNYPPJNW-IBGZPJMESA-N 491.585 5.523 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cocn3)C2=O)cc1Cl 730716219 VKLOSYLVYJSPRI-IBGZPJMESA-N 489.384 5.450 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](C)c2cccnc2)C1=O 730943985 PDLVGPHDVIASTC-CYFREDJKSA-N 488.613 5.592 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 730945143 OGSUPCXOLLXETO-NVJAIDLZSA-N 499.061 5.948 30 20 JKED Cc1cccc2sc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(Cl)c12 731071873 RTNXLFJLNJDIID-ZDUSSCGKSA-N 458.992 5.910 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 731324411 FDUMCPJFVORPGD-NRFANRHFSA-N 453.523 5.489 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 744605099 QYEQZAUOGANWNC-SNVBAGLBSA-N 492.409 5.723 30 20 JKED CCCOc1cc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)ccc1OC 744761678 NDSUREDPVKTLAY-UHFFFAOYSA-N 454.596 5.257 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 745313315 LHZXEACOPWVUQQ-FOIQADDNSA-N 487.408 6.282 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCOC(C)(C)C 746695355 FKJRNBCAAVOKDL-HXUWFJFHSA-N 475.561 5.049 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1F 747602351 ZUGSUOAIQCQABM-GOSISDBHSA-N 492.960 5.235 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(CC)cc3)N(Cc3cscn3)C2=O)cc1 747603480 SEBWTEFOXOAZMW-JOCHJYFZSA-N 494.642 5.265 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)c1nc(C(=O)OCC)cs1 749126638 PZRWJIUPUMKCHA-UHFFFAOYSA-N 461.518 5.507 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 750703303 PNILLAVTQPXJDM-UHFFFAOYSA-N 488.519 5.055 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 837448368 XJARNMHYADSRDB-JPYJTQIMSA-N 476.577 5.559 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CCC(C)C 838504451 OUTMPPZZEJCFOL-HXUWFJFHSA-N 493.551 5.720 30 20 JKED C[C@@H](OC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccccc1C#N 842009757 GRQVRECEJSKHMF-QGZVFWFLSA-N 455.489 5.349 30 20 JKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102857 JKPJOHVQNAMJTB-FZKQIMNGSA-N 468.365 5.808 30 20 JKED CCOc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)cc1OC 915115953 AXYLHWGBIYPWPR-XMMPIXPASA-N 489.597 5.254 30 20 JKED CCOc1ccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2-c2ccccc2F)cc1 915796073 UVDUCRZHTZYZHM-UHFFFAOYSA-N 488.592 5.376 30 20 JKED C=CCn1c(SCC[S@](=O)c2ccccc2)nc2cc(-c3ccccc3)sc2c1=O 915993314 GFTMNCFEFKLYAR-PMERELPUSA-N 452.626 5.211 30 20 JKED O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1ccc(N2CCOCC2)c(F)c1 916128613 QGNJEDCZSZQVTI-FNORWQNLSA-N 473.367 5.444 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O 916217403 MJXJQHUNNMKIIU-RUZDIDTESA-N 496.592 5.404 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2ccc(C(C)C)cc2)cs1 916299199 BYMMSDIRXAMMNO-UHFFFAOYSA-N 465.648 5.888 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916902371 FYNUACYXTGKLFJ-ZDUSSCGKSA-N 478.776 5.656 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cnn1-c1ccc(Br)cc1 916915790 JUHYAMAIICAVPG-FQEVSTJZSA-N 473.330 5.058 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@H]2c2cccc(F)c2)c1=S 917486648 LZQWOIHGEUBVHJ-SIKLNZKXSA-N 452.555 5.046 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cccc(OCc3ccccc3)c2)cs1 917560220 JLPDWUQIGLPELU-NTCAYCPXSA-N 472.541 6.442 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2ccccc2)C=C1 917614225 PHZSFXNRPISWIJ-UHFFFAOYSA-O 460.623 5.827 30 20 JKED C=CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc1OC 917645287 WLHUXMFRECDJKN-WOJGMQOQSA-N 487.400 5.300 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)c1 917671294 STVDJQFNWROJLX-DEOSSOPVSA-N 487.629 5.179 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)c(C)c1 918040058 UIHHGLYMEKCYSY-PZHAEXOUSA-N 470.639 5.121 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1nc(-c2ccccc2)cs1 920113169 BLFPCYNWRKPOMN-KDOFPFPSSA-N 456.354 5.346 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3F)n2)n(-c2ccc(F)cc2)c1C 920729345 JPQUTKYCGDMDDA-UHFFFAOYSA-N 492.507 5.163 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804608 WYXADJDKUIULMX-HOCLYGCPSA-N 471.554 5.333 30 20 JKED C[C@H](OC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C(=O)N(CCC#N)c1ccccc1 920911101 AVHUMYCCTGVZGK-INIZCTEOSA-N 484.339 5.673 30 20 JKED COc1cccc(C=Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)c1O 920944961 XHQSRXKHVGTHBU-UHFFFAOYSA-N 451.331 5.259 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C)c1 921252342 HIRWIHAFRSPKSU-OAQYLSRUSA-N 475.561 5.050 30 20 JKED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)CCO2 1783908012 PWOOECCROLSIFI-AREMUKBSSA-N 490.566 5.000 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)Cc3cnc4ccccn34)cc2)CCC1)c1ccccc1 1786108337 BSZOAYMIYUXQSQ-HHHXNRCGSA-N 490.607 5.208 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1786240614 CWTJBSALXABETM-CNNODRBYSA-N 469.626 5.026 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(OC)c4)CCC3)cc2)cc1 1786330726 HFQFHQAZDCNFFN-KAYWLYCHSA-N 495.579 5.127 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1 1786546694 UMFTXHVMYNZMED-QFIPXVFZSA-N 481.568 5.043 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3C(F)(F)F)cc2)CCC1 1786605333 QQWIFWURLBYBSV-UHFFFAOYSA-N 461.459 5.071 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)cc2)CCC1 1787155352 FPRCBITVTVEPNC-CQSZACIVSA-N 488.535 5.162 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(Cl)c4)CCC3)cc2)CC1 1787881717 VERXPQBDGFLNCG-UHFFFAOYSA-N 472.770 5.154 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C(F)(F)F)c3)CCC2)cc1 1787889275 RWPZOQMBXYAJJP-UHFFFAOYSA-N 494.311 5.519 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc(-c4ccco4)no3)CCC2)cc1 1788649372 FKPCSHPJXXGWCS-ZHACJKMWSA-N 487.537 5.183 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cc5ccccc5o4)cc3)CCC2)c1 1789116336 MWBIZZFHAKANAB-ZHACJKMWSA-N 450.498 5.094 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4occc4n3-c3ccccc3)cc2)CCC1 1789994904 XXBFZZXHQSYFJR-KRWDZBQOSA-N 459.571 5.290 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)cc1N(C)C 1790453913 RVDACPLXVWJOMF-UHFFFAOYSA-N 496.611 5.013 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1790564664 KSIXQHSUFHXJOQ-QMCNGJBUSA-N 488.632 5.299 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1790567177 IPGLHZHZAHHEFX-GOSISDBHSA-N 476.602 5.359 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4csc(-c5cccnc5)n4)CCC3)cc2)c1 1790762485 CEBBQZBZEZQGLW-UHFFFAOYSA-N 497.555 5.277 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccn5)[nH]n4)CCC3)cc2)c(Cl)c1 1790767702 FXTQCAWIOJUWIV-UHFFFAOYSA-N 496.958 5.058 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)CCC1 1790815379 UWTLHJKWORRHFO-UHFFFAOYSA-N 469.541 5.083 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)CCC2)cc1 1791243978 HJPNDEKXBHTMPJ-IPJJNNNSSA-N 469.626 5.121 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1791248665 BURCUAVDBMNWPP-GOSISDBHSA-N 468.557 5.783 30 20 JKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)o1 1791948006 OYMKNDHWFDPFEQ-UHFFFAOYSA-N 481.474 5.469 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc[nH]c3cc1Cl)C2)c1ccccc1 1798554747 WTUBKWZEFVFCHT-KAOXLYBCSA-N 474.004 5.270 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)c1 1799302418 ADJOUIUXCAAWLQ-KOUNCHBCSA-N 484.987 5.148 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)cc1 1800542611 PYRULAQEHHELRD-NUNAXRQHSA-N 473.960 5.232 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1803084152 OFFJJIZFSBHBHZ-IGKIAQTJSA-N 468.601 5.026 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1803090294 ZPZHCLFKKUEBDK-NLFFAJNJSA-N 477.008 5.304 30 20 JKED CO[C@@](C)(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1)c1cccc2ccccc12 1803681800 YRJZEDXOVDSAKT-NKPQNLRGSA-N 495.623 5.280 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cccc(O)c4cc3OC)CC2)C1 1805458291 GEWJGXKPGLVQDY-UHFFFAOYSA-N 476.617 5.167 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccoc2C(F)(F)F)[C@@H]1c1cccnc1 1808575518 RIFBMOPZEGDESP-HKUYNNGSSA-N 463.500 5.005 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1808596880 LEMXYQCDRHPHRS-IGKIAQTJSA-N 482.628 5.456 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1Cl 1808978698 SERRKGRHLOCWJA-AMGIVPHBSA-N 494.982 5.393 30 20 JKED CC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)C1)c1ccccc1 1809013699 XDAWOASWSHLXQR-OAQYLSRUSA-N 498.549 5.011 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc3occc3c2)[C@H]1c1cccnc1)c1ccccc1 1809345943 JWSSGUQDOZDFPK-IUAQSZDVSA-N 491.591 5.345 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3scnc3c2)[C@H]1c1cccnc1 1809947240 FXCHDSACEFZHLS-NFBKMPQASA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(F)c2)[C@@H]1c1cccnc1 1810172507 PVTYWNIWVSIRTN-RGODFAACSA-N 498.602 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1810500627 UVAKVBVGHFMHNB-LXFBAYGMSA-N 498.671 5.613 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1)c1ccccc1 1811722017 RSOBXZVLCVRUAG-WDXDTELGSA-N 498.602 5.242 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4cccc(F)c4s3)[C@@H]2c2cccnc2)c1 1811935424 AEYBFNDZQHBQLN-PXDATVDWSA-N 498.583 5.249 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc(Br)cc(C(C)C)c3)[C@@H]2c2cccnc2)C1 1811984252 SQRGTTQAPHVCRP-DVECYGJZSA-N 496.449 5.253 30 20 JKED C[C@H](CC(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1ccccc1 1812732285 GIPJLGDMJKDQST-YRKKDBSBSA-N 489.736 5.332 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1812791851 JBUQBRNFENVIPG-HLFHMTEMSA-N 493.051 5.389 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3ccccc32)[C@@H]1c1cccnc1)c1ccccc1 1813168206 KAXLQFRRVKWHBF-SFGWMHHMSA-N 491.635 5.015 30 20 JKED CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813868372 MFLGIYIYLZZACA-FQNJNTOFSA-N 480.612 5.295 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1 1814377865 BWHQQKNEISAPIT-MHZLTWQESA-N 491.595 5.302 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)[nH]n1 1814443860 DTCDDQDVWBRLMA-JOCHJYFZSA-N 493.608 5.055 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1F 1814586459 NOIVQTISVQAOAW-IBGZPJMESA-N 465.916 5.002 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c(O)n1 1816242023 WFHDANSTDKWRAU-NRFANRHFSA-N 497.958 5.041 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CSc3ccccc3)n[nH]2)c(Cl)c1 1816953182 OTBYYSXEOREUIO-OAQYLSRUSA-N 479.993 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occc4c3)n[nH]2)c1 1818709070 BIXDHOICMDQAFD-UZUQRXQVSA-N 467.529 5.403 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)cc12 1819052109 KEAVZDATUJTCLH-RUZDIDTESA-N 480.572 5.010 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)[nH]n1 1819304097 ZEMXICRHTPZWSU-LPHOPBHVSA-N 473.021 5.089 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)[nH]n1 1819554441 ZHPUNCPLCDSBGI-OAQYLSRUSA-N 475.593 5.671 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C)oc1C(F)(F)F)CC2 1819595796 BBDMXWRYXHAFTB-KBPBESRZSA-N 467.513 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)nc(C(F)(F)F)c2)n[nH]1 1820161519 LDRIHDZLIKIASY-KRWDZBQOSA-N 493.530 5.130 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)n[nH]1 1820965791 RXJDMIATQLUWPD-HXSOTZQLSA-N 487.604 5.374 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)n[nH]1 1821007065 KVOPOMZLHMBREK-JOCHJYFZSA-N 477.609 5.057 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cccs3)[nH]n2)c1 1823212650 QEHSMPCUYCYWBU-WXAJRKQLSA-N 459.575 5.118 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823218539 STQQLUUHTIUQOD-HOYKHHGWSA-N 471.561 5.055 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)c(Cl)c3)n[nH]2)C1 1823309478 QHGNHCXQOMUBHW-KRWDZBQOSA-N 467.784 5.642 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)cc1 1823685416 WTIAHKGXURUCRX-VWLOTQADSA-N 481.999 5.217 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1)c1ccc(Cl)cc1 1824249596 WKSMCJLLOXJGAF-HNZJLIOJSA-N 498.067 5.411 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)CC1 1825367102 JWUWYVHXJMEDDQ-OAQYLSRUSA-N 492.111 5.159 30 20 JKED O=C(Cc1ccc(F)cc1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826669235 KJBYWBOJGFLYDK-LJQANCHMSA-N 496.467 5.349 30 20 JKED O=C(CCCC(F)(F)F)N[C@H]1CCc2nc(NC(=O)c3ccc(F)cc3C(F)(F)F)sc2C1 1827856330 CFHXZKSQGVTXTI-NSHDSACASA-N 497.436 5.259 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)cc2c1 1828117900 FLKBTFRYAFBDBR-MUUNZHRXSA-N 482.628 5.214 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1Cl 1829688898 NKRQAXPYEQSTQA-BYUVYSIJSA-N 461.993 5.158 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)c1 1829955028 WTMNVLGXNCUGRK-NDEPHWFRSA-N 478.596 5.167 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1830415076 JYAIDSFXSHTHEM-GCJKJVERSA-N 487.044 5.164 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2)CC1 1830591722 WMIKVKODHVKPEY-VWLOTQADSA-N 462.638 5.098 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)cc1 1830627677 HZZZVQYGPAOFFV-QFIPXVFZSA-N 485.415 5.002 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c(Cl)c1 1830722992 SZJXPZXIJFFBLN-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1832028574 XKJJRZIOZBPZOI-HSZRJFAPSA-N 468.041 5.557 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1832040525 YSGKMYSLGYOWHJ-HRBBJJPOSA-N 496.698 5.071 30 20 JKED Cc1cc(C)cc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c1 1832043916 AWVFODXZXCDWEX-NDEPHWFRSA-N 471.645 5.236 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1)c1ccc(O)cc1 1832200497 REFCJNFXKLMJJA-JQJNFUIISA-N 499.655 5.007 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832632411 PJWQRNYYWCHFHU-NIYFSFCBSA-N 499.611 5.621 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)CC1 1833079222 VCPHUGKVNXUFTF-UHFFFAOYSA-N 497.577 5.022 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 1835817031 OQBDXEHECSYDPO-UHFFFAOYSA-N 497.577 5.022 30 20 JKED Cc1cc(C)c(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)CC2)c(C)c1 1838686467 KAXPKYARFUUMSW-UHFFFAOYSA-N 494.035 5.063 30 20 JKED CC#CC[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c[nH]c(-c2ccc(C)cc2)c1)c1ccccc1 1848314159 DFLXGISMAHESJF-PKXQUSJVSA-N 465.597 5.003 30 20 JKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 9966183 YZZFJIWBTNCLHC-IBGZPJMESA-N 483.597 5.248 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c1 10172540 WJEGFZDCWAMONA-UHFFFAOYSA-O 453.578 6.218 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1ccc(C(C)(C)C)cc1 14871867 BIHWHNUOUIYUHR-UHFFFAOYSA-O 496.494 6.647 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872371 JHHQBUWDSUGTJG-UHFFFAOYSA-O 480.585 6.284 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3cccs3)n2)n(-c2cccc(F)c2)c1C 16675153 BHEWBAIQMFYMKT-UHFFFAOYSA-N 480.546 5.085 30 20 JKED COc1cc(/C=C2\CCOc3ccc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 22756572 BUAFOEOJMKSFNS-SFQUDFHCSA-N 481.907 5.554 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccs2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 22826217 FRMFXXUMXFAXDL-UHFFFAOYSA-N 499.658 5.571 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 23508818 ZCEBQAVIOQRHSF-UHFFFAOYSA-N 492.497 5.840 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)nnc1-c1ccoc1C 24911688 NFYDVVMXLZXZSO-UHFFFAOYSA-N 464.566 5.613 30 20 JKED COc1cc([C@H](C#N)NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc(OC)c1OC 110567793 MHZLULCRVNJPEH-LVXARBLLSA-N 497.016 5.569 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 195662753 RQPDZLUDTZSGAU-MRXNPFEDSA-N 451.349 5.107 30 20 JKED CCOc1c(Br)cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cc1OC 207054390 QXOYEVZAGFECGT-YHYXMXQVSA-N 471.351 5.065 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1ccc(Cl)c(Cl)c1 248026014 WGTLENMZGNKFKK-UHFFFAOYSA-N 452.338 5.464 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccncc1 255929698 KSNUICWUFAXOPY-LJQANCHMSA-N 471.586 5.224 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 303081486 DJDACGOBJIBLTG-FQEVSTJZSA-N 467.766 5.024 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1 409976399 LANKEASVQYVQKB-UHFFFAOYSA-N 471.513 5.985 30 20 JKED C=CCN(C(=O)C[C@H](NC(C)=O)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502959983 BFHVKPDEXQIDSJ-FQEVSTJZSA-N 474.413 5.903 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OCc3cscn3)c2)nnc1-c1ccc(Cl)cc1 509153357 GMERVBZLKZSHII-UHFFFAOYSA-N 498.033 5.551 30 20 JKED CCN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)[C@@H](C)c1ccc(C#N)cc1 509556267 BWUKPBUFHJFDNQ-HNNXBMFYSA-N 454.393 5.596 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(F)c1 509905911 TUKFCSHTOPRUFR-VWLOTQADSA-N 469.520 5.115 30 20 JKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510004771 HFADGIBWDWCZFM-XMMPIXPASA-N 458.993 6.260 30 20 JKED Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510058236 USSOUUCQBNWFHB-QFIPXVFZSA-N 457.965 5.865 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 510266638 CMWYYBIGZUECKA-QHCPKHFHSA-N 483.568 5.305 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1csc(Cc2ccccc2)n1 512301585 CPAPKZDFOCYUIL-UHFFFAOYSA-N 455.558 5.829 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 513243967 MTBUHSSZGTWNKB-CYBMUJFWSA-N 462.905 6.029 30 20 JKED C=CCN(C(=O)c1cc2cc(C)ccc2o1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516069807 JYDXHJBPHSOZTQ-UHFFFAOYSA-N 452.557 5.101 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3cccs3)C3CC3)cc2Cl)cc1 517138183 OBJGOJYCRXNTSK-UHFFFAOYSA-N 451.935 5.195 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCC1 517181901 PMYMTNQIZMMLKY-AREMUKBSSA-N 453.542 5.042 30 20 JKED C=CCOc1c(Br)cc(CNC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OCC 518781889 BTZBICBZPSBAGG-UHFFFAOYSA-N 487.438 5.115 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nc(-c2c(F)cccc2F)cs1 520427296 BMJXMOOJNTVGCW-MRXNPFEDSA-N 464.472 5.392 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccoc1C 520813642 OFYBQOZXJHQAGW-HNNXBMFYSA-N 453.593 5.158 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1OC 521822053 SGNNFZUCLBBQQY-FQEVSTJZSA-N 476.802 5.289 30 20 JKED C=CCc1cc(CNC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)cc(OC)c1OC 522664298 QPORIUHPNLKWCW-KRWDZBQOSA-N 451.592 5.425 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 523350609 CHUYCQUZLUXGGZ-UHFFFAOYSA-N 482.353 5.897 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cc1C 524420381 BZJYUSLUQZHZHQ-QFIPXVFZSA-N 463.585 6.506 30 20 JKED C[C@H](Sc1ncccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)N1CCCC1 587988753 NKRGGWZTWSTTFG-KXBFYZLASA-N 497.045 5.452 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 588709919 COQNLBPLHSZEEK-OAQYLSRUSA-N 481.540 5.271 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 591845882 GIJIWBTUCAPDFN-UHFFFAOYSA-N 474.608 5.359 30 20 JKED O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603573158 VACHKASRKUNJJH-GHMZBOCLSA-N 495.342 5.441 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603728940 XHBZMDAKXGJRBO-UHFFFAOYSA-N 489.557 6.088 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)c2)c1 604085694 NQHXAUNNDKJGSA-OAQYLSRUSA-N 452.436 5.626 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)cc1 609060700 BEDMAEYLCUIVPW-RUZDIDTESA-N 467.569 5.245 30 20 JKED CCn1c(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)nnc1-c1cccs1 609061693 GYCSVNNFHOHYSA-UHFFFAOYSA-N 489.626 5.516 30 20 JKED N#C[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OCc2ccccc2)cc1 609173698 WKQHFNQETVYHAN-XMMPIXPASA-N 486.959 5.673 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)c1 609212406 HRFKSUPRWGBLIN-HUUCEWRRSA-N 463.422 5.021 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)cc2)c1 609426849 MHLZAGNYZDZKQK-UHFFFAOYSA-N 471.520 5.910 30 20 JKED N#C[C@@H](C(=O)c1ccn(-c2ccccc2F)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344726 OKQPNHSQKRRGTO-AWEZNQCLSA-N 457.317 5.932 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 615497477 LBKFEIAUHWRXTG-RTBURBONSA-N 483.584 5.466 30 20 JKED O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620311952 MJWNZFKNIYOVCT-ROUUACIJSA-N 499.430 5.810 30 20 JKED CC(C)(NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)on1 622615245 LNIOKDGVXFHGSU-UHFFFAOYSA-N 464.284 5.161 30 20 JKED CN(C)C(=O)COc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281465 GDRUKEJVVYMHTA-MRXNPFEDSA-N 474.369 5.074 30 20 JKED O=C(Nc1ccccc1OCC(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642475780 RUJRFGMFYZERGT-URLYPYJESA-N 452.317 5.659 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 726393148 MVKRKIXESQBYMR-HTAPYJJXSA-N 471.598 5.334 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)cc1F 726416873 UGMVGTFEJUVDLI-MRXNPFEDSA-N 489.878 5.010 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC)c(Cl)c1 726889207 DNIGYIAEADQLJN-HXUWFJFHSA-N 457.983 5.112 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1 727407577 IXJPILARMNTWGH-UHFFFAOYSA-N 460.559 5.845 30 20 JKED N#CCOc1ccc(CNC(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)cc1 727842293 LDPBWJQCXJGHCK-UHFFFAOYSA-N 480.524 5.568 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccc(C(=O)N(C)C)cc1 728179776 KGGQEFGCFPOZGX-HSZRJFAPSA-N 488.569 5.223 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(CCCCC#N)C2=O)cc1Cl 728776794 FONTTXTXIZHJTM-QFIPXVFZSA-N 499.036 5.620 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 730917223 KFRBNXZMQORRQC-IBGZPJMESA-N 485.565 5.110 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3c(CC)cccc3CC)c3c2CCC3)cc1 730921080 VCQBDSBQUZBFDH-HSZRJFAPSA-N 454.574 5.009 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c2Cl)cc1 731060228 IQEKBBGJBHVLKE-QGZVFWFLSA-N 497.020 5.249 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c1 731306049 JUKGEVBESTZIDJ-MBSDFSHPSA-N 477.586 5.194 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c1C 731308592 OAMRTVGWONTFDS-JPYJTQIMSA-N 474.586 5.126 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2cccs2)c1 731312451 MEWAFYPMNFDJFQ-NRFANRHFSA-N 483.590 5.104 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2F)cc1 731313175 UDFJJRVBNNYXNR-QFIPXVFZSA-N 481.524 5.139 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(OCCc3ccccc3)CC2)c1=S 742557406 XLXKHKMWXRANHK-UHFFFAOYSA-N 469.054 5.602 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1C 744595712 ANWSWDLVYSZCKF-UHFFFAOYSA-N 488.396 5.837 30 20 JKED COc1cc(C(=O)/C=C\c2c(Cl)nc(Cl)n2-c2ccccc2)ccc1S(=O)(=O)C(F)F 747066057 IXKNPXISWQOZDM-HJWRWDBZSA-N 487.311 5.080 30 20 JKED COc1cc(C(=O)/C=C\c2cccc(OCc3ccccc3F)c2)ccc1S(=O)(=O)C(F)F 747067634 ZKZRQCPMFGHLRI-LUAWRHEFSA-N 476.472 5.306 30 20 JKED COc1ccc(/C=C(\Cl)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OCCCC#N 747361147 CLSRZTQSHIFFFY-VBKFSLOCSA-N 455.967 5.704 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)cc1C 747600470 ARKBTZDETHRJNG-FQEVSTJZSA-N 486.569 5.199 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)c1C 747601048 TUSFFDOHVFEWDV-FQEVSTJZSA-N 482.606 5.102 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(C)Cc2csc(Br)c2)c1=S 747789175 YTQHGHFOPHMXDR-QGZVFWFLSA-N 493.452 5.026 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 749360968 MMXUFAZJSHHMGP-UHFFFAOYSA-N 489.329 5.043 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1OCC(F)(F)F 750921110 GFSJBXZNRRKQQI-UHFFFAOYSA-N 477.295 5.373 30 20 JKED COc1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccccc3Br)cs2)cc1 767169219 ZHRVALPNLNYYLJ-UHFFFAOYSA-N 472.393 5.011 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccc(OC)cc1 799220096 GBGRAELVXBGSSI-SFHVURJKSA-N 496.803 5.249 30 20 JKED C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 808332941 WVWDWLQHPPMQKE-AHEVQNHNSA-N 468.768 5.050 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccnc2Cl)c1 819202270 JLDQHILDPVBZNG-UHFFFAOYSA-N 496.803 5.675 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1[C@H](C)c1ccccn1 837301974 QUENJFZCLMAZBT-WZONZLPQSA-N 493.032 6.073 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)c3ccccn3)C2=O)c1 838592676 TWMWDHHJZUEPMU-GAJHUEQPSA-N 494.567 5.698 30 20 JKED CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1 904693145 SFUJZRJBCIPNGM-GOSISDBHSA-N 482.924 5.362 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2SCc2c(C)noc2C)c1 912497533 JHMJWURPRVWRQJ-OAQYLSRUSA-N 491.613 5.693 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 915086237 IQYWXJLVEKDSNB-QFIPXVFZSA-N 479.989 5.032 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 915100587 WDBNBVXGFDDCOW-NVXWUHKLSA-N 499.621 5.449 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1nc2cc(C(F)(F)F)ccc2s1 915103741 DHQGDSJFNDMBQP-HNNXBMFYSA-N 474.460 5.316 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)oc2cc(CC)c(Cl)cc12 915118293 VLOXJXPCMZUICF-UHFFFAOYSA-N 451.979 5.669 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cc(F)c(Cl)cc1Cl 915723612 UKAKERXDMJEUQP-KUHUBIRLSA-N 470.331 5.604 30 20 JKED CCCCCCn1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2ccccc2c1=O 916073617 CFUJGROWYDZARK-UHFFFAOYSA-N 467.529 5.288 30 20 JKED COc1cccc(NC(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)c2ccccc2)c1 916156771 ZHROQFLMMZVAJL-ODLFYWEKSA-N 482.330 5.077 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)c1 916213164 APQQMLGLWCKZQT-NRFANRHFSA-N 467.978 5.710 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916213196 BJUDOFRHRMTYCN-KRWDZBQOSA-N 467.900 5.482 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)c1 916214155 LHEJSWMTAIKYNI-HXUWFJFHSA-N 469.950 5.102 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1cccc(C(F)(F)F)c1 916310888 OVGAWWXGSXUYDB-UHFFFAOYSA-N 487.503 5.563 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3ccccc3)n2C2CCCCC2)cc1OC 916622620 CRRVFJJWQHADTG-NRFANRHFSA-N 476.602 5.436 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1C 916846976 ISZLQCQJCYMTKT-GOSISDBHSA-N 489.626 5.047 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(SC(F)F)cc1 916885668 ACKMQTNLIDPEFH-SINXNMPMSA-N 472.513 6.230 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916887988 RTFIBQJPECEPED-GOSISDBHSA-N 494.610 5.596 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 916902165 VHDPURRELHVCHB-MRXNPFEDSA-N 493.387 5.705 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CSc1nccn1-c1ccc(C(C)C)cc1 916902396 GGUATXCKUGWVFQ-IBGZPJMESA-N 497.020 5.406 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 916903444 SPDQCCNTJXDUJK-YKSBVNFPSA-N 486.959 5.312 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916906749 VIFKBLDAUBDBMA-OAQYLSRUSA-N 481.533 5.754 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1Cl 916941475 WIZUPWZJAFGQKN-SFHVURJKSA-N 479.895 5.010 30 20 JKED C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 917568541 XQSDYAXQYIMTEF-IBGZPJMESA-N 465.509 5.474 30 20 JKED C#Cc1cccc(NC(=O)c2sc(NC(=O)c3ccccc3I)cc2C)c1 917631477 MVTVAUXMMSPXKJ-UHFFFAOYSA-N 486.334 5.147 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccc(C)n3)C2=O)cc1 917681804 CUHDZZIKCRBDTF-XMMPIXPASA-N 488.613 5.258 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1 917683524 YMZDRSXCGDXNCM-FQEVSTJZSA-N 453.564 5.356 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc2ccccc2c1 917700505 INIFUGMRWZUGER-QHCPKHFHSA-N 457.555 5.189 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccsc3)C2=O)cc1 917705333 ZQVVCWXNCMCLKU-QFIPXVFZSA-N 490.610 5.179 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccn2)c1 917712892 IRAHTZPPDBTPPJ-QHCPKHFHSA-N 476.577 5.505 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(C3SCCS3)cc2)c1 918163253 MIDSREVGRJHCJF-NJNXFGOHSA-N 489.688 5.011 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)cc1 918545388 PLSQCRYVZNJAOT-UPIHBEMDSA-N 498.649 5.047 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1OC 920868169 JDJVQBPKQBPWRS-UUOWRZLLSA-N 491.613 5.091 30 20 JKED N#C[C@H](C(=O)CSc1ccc(Br)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 1341867505 FVHNANUDJCAEFS-CQSZACIVSA-N 474.405 5.007 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)C1 1780104840 VDYOWIYGSICLHP-AQEANLGOSA-N 487.644 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3CSc3ccccc3)C2)C1 1781943405 OGIUUYSPGMFQMT-IRPSRAIASA-N 490.669 5.191 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CCC[C@@H]4CCCC[C@@H]42)C3)c1 1782972307 DPXLFWNTSFOVJY-GOPBZUNVSA-N 491.676 5.048 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ncc(Cl)cc3Cl)cc2)CCC1 1785787732 IBSJIAMLBIWSIT-UHFFFAOYSA-N 450.391 5.055 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)CCC1 1785959895 VIBTVIYXSXEREL-UHFFFAOYSA-N 457.343 5.139 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)cc2)CCC1 1786141187 ISSXFIKIAFKNMG-KNQAVFIVSA-N 469.626 5.050 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@H](CC3CCCC3)NC(=O)OC(C)(C)C)cc2)CCC1 1786180087 QHMKZHUOXAGIFZ-QHCPKHFHSA-N 481.637 5.008 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)CCC1 1787110458 QYMOZBKWJTUBAN-UHFFFAOYSA-N 468.479 5.419 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)c1 1787354031 YQEYIELPEKEBIJ-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C[C@H](c1ccc(CC(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)cc1)C(F)(F)F 1787880102 NQMYDMLSRZENHG-QGZVFWFLSA-N 469.507 5.333 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4)cc3)CCC2)c1 1789049899 CAGHCAGYZZPOCL-UHFFFAOYSA-N 465.509 5.375 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)cc2)CCC1 1789293296 HTLHRVOFHYWQIW-FQEVSTJZSA-N 490.551 5.055 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCNc3ccc(C)cc3C)cc2)CCC1 1789566877 SNAYNASYVWTVNM-UHFFFAOYSA-N 451.636 5.159 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cncc5cnccc45)CCC3)cc2)c1Cl 1790082763 NKUZKOBTPXFXIV-UHFFFAOYSA-N 481.943 5.216 30 20 JKED Cc1ncc(Br)cc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790285495 AKBGJDIKPSIKCO-UHFFFAOYSA-N 489.373 5.086 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1 1790472829 OSCNZSVMJWQCGS-JOCHJYFZSA-N 495.645 5.193 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3C)cc2)CCC1 1790630228 ZJHBLQJFYZBNQK-QGZVFWFLSA-N 486.410 5.306 30 20 JKED O=C(CCc1cnc[nH]1)NC1(c2ccc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)cc2)CCC1 1790690127 OOZXVYSRBGQXEK-UHFFFAOYSA-N 488.591 5.190 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4noc5ccc(Br)cc45)cc3)CCC2)CCC1 1790992161 QETAGNWMZQEVSQ-UHFFFAOYSA-N 493.361 5.032 30 20 JKED COc1cc(Cl)ccc1CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1791151531 JTPGYEYRYJHSKC-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)c1 1792123349 VSDWBNHUZRREQC-QGZVFWFLSA-N 457.496 5.794 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccn5cncc45)CCC3)cc2)cc1C#N 1792168770 VYQYSGHGVVVTGA-UHFFFAOYSA-N 493.567 5.055 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cc4cccc(F)c4)c3)cc2)CCC1 1792200751 QMSPRRGVYHSMTE-UHFFFAOYSA-N 455.533 5.468 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/C(=O)c1cccs1)C2)c1ccc(Cl)cc1 1793223830 XHBIBFBXISQJQD-CBAIGZTLSA-N 485.049 5.218 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1794075558 OZSBTHVSXWEFMO-NUNAXRQHSA-N 486.637 5.803 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 1795672921 NWTYKWBFCFLAFC-ZFFYZDHPSA-N 482.546 5.083 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(-c2ccccc2)cn2ccccc12 1799191782 WECFNAINZUKOFD-NDBXHCKUSA-N 467.613 5.627 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)cc(Cl)cc2Cl)C3)c(Cl)c1 1800691554 FVLFOAWOOKOQTH-QDMKHBRRSA-N 480.754 5.223 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCC(C)(C)C 1801831617 ZDGHFAGIZGINAZ-CIAFKFPVSA-N 477.690 5.091 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)Cc3ccc(CCCCC)cc3)[C@H]2c2cccnc2)C1 1802414488 SQPXLURSINIWED-NAKRPHOHSA-N 459.634 5.029 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1802502315 AXVWOQPDXZGPPQ-ISKFKSNPSA-N 488.657 5.517 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)cc(Cl)c3[nH]1)C2 1802631049 DVTHEUCRPWOTLV-BCDXTJNWSA-N 490.829 5.029 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cccc4s2)C3)c1 1803678778 IAOBJLOPTBQROU-QLIIJSOBSA-N 478.017 5.747 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(OC)cc(C(F)(F)F)c3)CC2)C1 1805458771 XYOLCFOEDGAPIE-UHFFFAOYSA-N 478.555 5.327 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)C1 1806015999 CDRKFAHVDBGIAT-UHFFFAOYSA-N 496.598 5.459 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C1 1806063029 MIVVVEOFHGWYGQ-XMMPIXPASA-N 466.647 5.278 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)s4)C3)CC2)c(Cl)c1 1808217061 NFLJXPXPMRIFIV-UHFFFAOYSA-N 462.402 5.085 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1808864005 LVOSXQUXXVUPAC-BNIKKZEQSA-N 498.583 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809443662 UUMLOCQLCCQNQM-DFIYOIEZSA-N 494.060 6.038 30 20 JKED O=C(CCC(F)(F)F)N1CCCC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)C1 1809482411 OYFKSZHMVKQHPG-UHFFFAOYSA-N 482.546 5.274 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1810174536 ZWTMDITVHIWVSL-UZINWLIJSA-N 491.035 5.613 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1810183763 XWSNHXMSHGTWCG-GPUOULLFSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811251550 LUUJNHNYXTZUAB-QKZGOTKPSA-N 477.608 5.013 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1C 1811872314 TWTGIMZXKFHEIL-VPUSJEBWSA-N 475.709 5.069 30 20 JKED Cc1ccccc1CCC(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1812749843 AYLNRCRCNJERML-LITSAYRRSA-N 489.736 5.080 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1812958308 NJBAPROOPUZEGF-JDXGNMNLSA-N 494.639 5.248 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@H]1c1cccnc1 1813226016 AFFLAIGSWBLOHI-CLOONOSVSA-N 496.533 5.095 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)s1 1813869813 RAJMQUKJAOUWHS-QZUZQDTOSA-N 484.625 5.112 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)n[nH]2)cc1 1816202503 CDDRDOBBWFKWKE-DEOSSOPVSA-N 482.519 5.035 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccco3)no2)n[nH]1)c1ccccc1 1817833493 HLKALMIVDYAZAH-REWPJTCUSA-N 497.555 5.161 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4scnc4c3)sc2C1 1819241129 XJGMWJHUVHHVIG-QGZVFWFLSA-N 496.734 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1819311064 JWDXPIZFQAXBET-GGAORHGYSA-N 475.593 5.143 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386285 GTRBNQXZWPRTFD-TZIWHRDSSA-N 497.741 5.029 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)[nH]n1)c1ccccc1 1819517176 VENVYTUZJAJIHK-NQIIRXRSSA-N 493.970 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)[nH]n1 1819552633 TVPTWFCDSUDVNW-OAQYLSRUSA-N 461.566 5.363 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1 1820486562 SITICQBKMDTOID-DEOSSOPVSA-N 487.629 5.219 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)ON=C(C)C)n[nH]2)cc1 1820975576 AJRLVCJJSQGNGD-HYBUGGRVSA-N 481.641 5.178 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c1Cl 1821044014 RRDRQHVUZVVDDX-LJQANCHMSA-N 486.334 5.347 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2CCCCO2)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821150998 QDCVSRMYMUOPRB-XNMGPUDCSA-N 496.611 5.075 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)[nH]n1 1821924623 FGVYUURCUOJPAD-RDTXWAMCSA-N 474.487 5.109 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1821987712 OJQBXEXHNRCGMD-OAHLLOKOSA-N 475.298 5.373 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCc3ccccc3F)[nH]n2)c1 1823210298 BVVNEWJWDVVPOZ-CLOONOSVSA-N 487.579 5.505 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Br)c4ccccc4c3)CC2)C1 1823700075 JHMTYESIJHECHQ-VWLOTQADSA-N 495.461 5.802 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823972265 VKAUCAVSGHQEOD-FNZWTVRRSA-N 478.036 5.178 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)CCCC3=O)CC1 1824142512 UYRUAOJDUHPTPR-AREMUKBSSA-N 462.634 5.207 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1 1824142534 WEDTXBVPSCKDMZ-XUZZJYLKSA-N 454.577 5.292 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1824143389 LFOCQJCQAVSUCO-NRFANRHFSA-N 497.989 5.756 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1824960494 CWTNRQOXXOGHCD-NRFANRHFSA-N 461.027 5.239 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)CC1 1826204413 XFMALQQXTCMFDY-KRWDZBQOSA-N 471.589 5.388 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827335333 WJQHOQCLPFAWMY-MHZLTWQESA-N 489.660 5.273 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533124 ALVBKFGXZVSUFS-VWLOTQADSA-N 495.461 5.639 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1827728576 OUEGAMBPAHRULH-RUZDIDTESA-N 493.648 5.576 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncoc3c2)CC1)c1ccccc1 1828298270 RMVMKVAKDJFZRL-XNMGPUDCSA-N 483.612 5.258 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)[nH]c12 1828545364 QLYIEHPRNDGJIY-MHZLTWQESA-N 482.628 5.214 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1828824073 JPIMVSRMWASRQH-PKTZIBPZSA-N 488.028 5.179 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1829069635 AJXSPWNXLPHFKF-XMMPIXPASA-N 488.072 5.524 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)c1 1829959410 SFRPEHDGXSINGV-JOCHJYFZSA-N 487.497 5.263 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1829976229 YYGSCRXJCROVMH-DEOSSOPVSA-N 484.427 5.607 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)cc1 1830627109 LZWVAPYNNUYTBR-ONBPZOJHSA-N 491.582 5.068 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)ccn1 1830720412 KDMKGQXYICUGMX-XMMPIXPASA-N 493.051 5.451 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307259 TUVRFDLTCTWGCJ-MBSDFSHPSA-N 496.479 5.347 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1)C(F)(F)F 1831448713 LGYFBAZOBVQRCK-HXUWFJFHSA-N 467.919 5.173 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1 1832629469 RPTHFMGSGFSETO-JIPXPUAJSA-N 487.619 5.418 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2c1 1832632226 MYCXEXXEYLTYHO-LYZGTLIUSA-N 482.628 5.651 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 1832634610 XKPSJJYBUSADPI-RBTNQOKQSA-N 482.628 5.271 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1832827874 HNHBZGAKCPOLLI-XCZPVHLTSA-N 478.583 5.531 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)CC1 1838130791 DAPYAPISQXPOKQ-UHFFFAOYSA-N 489.660 5.353 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CC2)CC1 1838538411 YEQCZJYSFOMBGV-UHFFFAOYSA-N 499.655 5.230 30 20 JKED C=CCC(=O)N1CC2(CCCN2C(=O)c2sc(-c3cccc(C)c3)cc2NC(=O)OC(C)(C)C)C1 1842305823 ZQCKFFJTIWODKR-UHFFFAOYSA-N 495.645 5.464 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(OCCCC(F)(F)F)cc1)C2 1844357121 BLALUFRVXBHUNE-UHFFFAOYSA-N 466.544 5.217 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)C1 1844674845 USORJTNEZAVSKK-UHFFFAOYSA-N 455.602 5.416 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)c1ccccc1n2CC 1847264599 QIZYXONVWVNUEZ-UIOOFZCWSA-N 457.618 5.622 30 20 JKED CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nc2scc(-c3cccs3)c2c1=O 9751744 ZKMFMSNELQAUJX-UHFFFAOYSA-N 487.031 5.462 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 10167365 QOJBUBKPHVQHRC-UHFFFAOYSA-O 473.568 6.202 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccc(CC)cc2)cc1 10173414 BSFLFZCITFEZKC-UHFFFAOYSA-O 458.434 6.457 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)c3cnn(C(C)C)c3n2)s1 11259903 DTPNANAKZOPBBW-UHFFFAOYSA-N 493.976 5.370 30 20 JKED C=CCn1c(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)nnc1-c1ccc(OC)cc1 11390226 VPRBKHYKTOHSJJ-UHFFFAOYSA-N 484.430 5.013 30 20 JKED C[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 15274991 WSBYMDCUTSAKOX-CQSZACIVSA-N 495.395 5.627 30 20 JKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1 16732110 KRMDBFCOPPRXOY-UHFFFAOYSA-N 491.016 5.085 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 20078487 LYNCOPVHONLTCN-UHFFFAOYSA-N 473.989 5.308 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(C(C)(C)C)cc2)cc1 22693304 KXZBUBARZCCUIP-UHFFFAOYSA-O 483.657 6.874 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22729775 BTFGUMZNZOXXAY-UHFFFAOYSA-O 495.668 6.631 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730357 PHWVTNRTROHUGE-UHFFFAOYSA-O 472.033 6.578 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](C)Sc2ccccc21 33162981 ROROYMVGEUASNM-AWEZNQCLSA-N 461.381 5.016 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 303266537 QGAGLNRFVIPIQG-LJQANCHMSA-N 465.550 5.182 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 303307915 QBUSSZYVCRYPCL-HNNXBMFYSA-N 467.595 5.402 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 409680740 OTULOPZXSXRPRM-UHFFFAOYSA-N 462.573 5.466 30 20 JKED C=CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476156306 MTJVBTUQUOLYHC-UHFFFAOYSA-N 488.318 5.517 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 499601627 YKMATNVSMCVTHH-OAHLLOKOSA-N 474.851 6.022 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)O[C@H](C)C2 500042158 VOBXJVXSRNQTKU-UPKQVVFYSA-N 459.571 5.070 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3oc4ccccc4c3COc3ccccc3)CC2)c1 501698029 NAMOOECAIVAXOO-UHFFFAOYSA-N 479.536 5.374 30 20 JKED Cc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1NC(=O)c1ccc(Br)cc1 502537065 FCWLKWFIQUWJMI-UHFFFAOYSA-N 466.335 5.159 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1OC 502690863 XODDCGSGHBZTOW-LJQANCHMSA-N 480.549 5.656 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1 508260629 TVRZRUVYYAQKBY-DEOSSOPVSA-N 471.492 5.143 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1 508276751 WDEXSXQAUDIJRW-UHFFFAOYSA-N 499.546 5.985 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 511008163 FFHYCOZYXPYGNL-UHFFFAOYSA-N 451.929 5.976 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)s2)cs1 514708722 RUKSANPPQTXCSB-UHFFFAOYSA-N 475.664 6.317 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(Cl)cc1 516083919 DCSHRRTZLFQURY-UHFFFAOYSA-N 475.976 5.018 30 20 JKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516411772 DVPJRIFAEBHXID-YCRPNKLZSA-N 467.903 5.432 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3NC(=O)c3ccccc3)n2)cc1 516713849 KYFYHBCNTNTGIR-NRFANRHFSA-N 453.523 5.561 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 517100029 GKHWDBDXJLMDGH-UHFFFAOYSA-N 469.950 5.076 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 517473615 GCVLNOQTMOODIX-KOSHJBKYSA-N 463.578 6.192 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nnn1-c1ccc(F)c(Cl)c1 517486321 NRACEVYMLBEBPH-UHFFFAOYSA-N 475.911 5.266 30 20 JKED COc1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1OCCCC#N 517547864 XMUVOIQQRRKEHF-RUZDIDTESA-N 483.381 6.159 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(OC(F)F)c(Cc4ccccc4)c3)CC2)c1 519184865 MXVUDWPAWFXPCT-UHFFFAOYSA-N 477.511 5.826 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 519486467 KHRSSQNPMABESD-SANMLTNESA-N 453.586 5.371 30 20 JKED Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)nnn1-c1ccc(OC(F)F)cc1 520876389 XZDUVZMWQUFEFY-UHFFFAOYSA-N 451.458 5.030 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cc4)CC3)c2c1 521366952 WFMOYKKJJHQWKC-UHFFFAOYSA-N 464.525 6.162 30 20 JKED COc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 521723727 SYSADUPUUAYVDN-CQSZACIVSA-N 471.633 5.415 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 521724668 QGIRJGAQXXDTDD-UHFFFAOYSA-N 474.358 5.401 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2)cc1 524664174 HHRRIXNNVHDWBE-UHFFFAOYSA-N 465.513 5.105 30 20 JKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccccc1Br 598583460 FIAPZFDSPUTGPM-CYBMUJFWSA-N 468.376 5.584 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)Cn3c(COc4ccccc4)nc4ccccc43)n2)cc1 602730338 BAGTZEFQMMOZLI-UHFFFAOYSA-N 465.538 5.249 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cn2)cc1 603689722 BMFVXBGKDPLVTC-UHFFFAOYSA-N 467.451 5.118 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2)cc1 603763929 CLHSCBKHRZGZJZ-UHFFFAOYSA-N 483.549 5.280 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 604088364 TZLSSFBJQWOBBH-UHFFFAOYSA-N 451.530 5.947 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 604500835 LMUXTUMNYQGMAW-UHFFFAOYSA-N 474.508 5.305 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cccc(C(F)(F)F)c1 608924184 YXWFZRBRYPTIOV-OAQYLSRUSA-N 496.489 5.606 30 20 JKED COc1ccc(C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2)cc1OC 609001024 IOZRTSWTZYQOLD-VWLOTQADSA-N 457.574 5.479 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCCN1CCCC[C@H]1C 609152152 IBYCFWAAGGHFPC-OAQYLSRUSA-N 470.573 5.560 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377244 SMIGSKKRLGGKIK-AWEZNQCLSA-N 470.019 6.466 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 609378325 CGRIAABIKJYSLY-UHFFFAOYSA-N 477.489 5.816 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3SCCC#N)[C@@H](c3ccco3)C2)cc1 609385983 VIZOEYRKBBLZII-JOCHJYFZSA-N 460.559 5.084 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1Br 609388119 IPQIRPHCIBGLJM-CQSZACIVSA-N 499.883 6.247 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 609428692 UPGOOIMRLBIDQZ-HZPDHXFCSA-N 472.035 6.650 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1OC 613319237 AFUKSLKPRCDGRD-MRXNPFEDSA-N 481.986 6.094 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1F 613387120 MAQQXUJQROUADZ-HZPDHXFCSA-N 450.539 5.374 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 616133944 WAPSFBIBZCFELD-KRWDZBQOSA-N 472.010 5.843 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ncnc3oc(C)c(C)c23)c1 666715026 HKRVQJFOZONXRA-UHFFFAOYSA-N 496.976 5.127 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414665 DDCVPNQGUHASGF-HYBUGGRVSA-N 497.661 5.476 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(NC(=O)c3ccccc3I)cc2)c1 726473113 WIMPFWPRERGWIW-UHFFFAOYSA-N 497.361 5.334 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 727155575 AWIZPXGZOJYROX-XMMPIXPASA-N 473.529 5.564 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(Cl)ccc(C)c2Cl)N(Cc2cccc3cccnc23)C1=O 728429917 LRVUTTPGEOZBKI-KRWDZBQOSA-N 487.412 5.118 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729146236 QEXMBCFSFBROAC-TZIWHRDSSA-N 459.974 5.088 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ncccc3C)C2=O)c1 729634956 XTGMLBNIOOEBOC-QFIPXVFZSA-N 495.004 5.213 30 20 JKED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729888305 JRQHFVDBILDFNF-NSHDSACASA-N 481.744 5.594 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(C2CCC2)C1=O 730460710 CQAFVEXKVOPDQV-HXUWFJFHSA-N 457.983 5.170 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1-c1ccc(F)cc1 730993881 FFUFEHHEYSPAFF-UHFFFAOYSA-N 495.523 5.688 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 731063145 JEWURAZBQQHJSI-AWEZNQCLSA-N 499.390 5.029 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1 731066006 JGWHRXQKJVESHE-QGZVFWFLSA-N 479.627 5.981 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccc2cccnc12 731310900 SARYJXBKSHZFIM-XMMPIXPASA-N 496.592 5.409 30 20 JKED CCN(CCC#N)Cn1nc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n(CC)c1=S 742540236 BREZZGAMOVJBBE-UHFFFAOYSA-N 456.619 5.818 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1F 743523795 DFLRXHRFNIZHTM-SFHVURJKSA-N 465.472 5.299 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 744807156 NJFKTACWXRUJKQ-UHFFFAOYSA-N 495.612 5.399 30 20 JKED COc1ccc2c(c1)OC[C@@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)C2 747560721 FSKPTPWGPOPCTP-GUYCJALGSA-N 459.354 5.553 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2ccccc2O)ccc1Cl 748353048 KIAYPELVOKWYAT-UHFFFAOYSA-N 491.396 5.010 30 20 JKED CCOc1c(OC)cc([C@@H]2NC(=O)N(CC3CC3)C(c3ccc(Cl)cc3)=C2C(C)=O)cc1OC 751257956 IKPIUZIRYGNCRC-QHCPKHFHSA-N 484.980 5.233 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(F)(F)F)c(Cl)c1 799223819 LTANFIOAAQYSCW-MRXNPFEDSA-N 487.906 5.619 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837366928 DACAWNYADHEWNT-NTKDMRAZSA-N 472.614 5.927 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(C3CCN(C4CC4)CC3)C2=O)cc1 837422931 CTQDLVPMYHGXMO-VWLOTQADSA-N 490.673 5.199 30 20 JKED N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)c1 856556990 ZHCZBDJQKVGLPP-SFHVURJKSA-N 462.937 5.560 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 912498350 WLTAEWMISQKTBY-SFHVURJKSA-N 481.549 5.215 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915107308 ORIHLYNGIQXMCX-GOSISDBHSA-N 458.472 5.053 30 20 JKED CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1Cl 915656380 UXWYTZXNFOKJSO-LJQANCHMSA-N 488.396 5.151 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 915730777 OKTNAMIWUPSIFK-YZFQJEKOSA-N 497.598 5.694 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916209456 LMEMJISMVAASDK-QGZVFWFLSA-N 499.461 5.430 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccco2)C1=O)Nc1ccccc1F 916217543 PCNZPSWQIPHFKA-LJQANCHMSA-N 491.466 5.598 30 20 JKED Cc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c(C)n1C[C@H]1CCCO1 916276996 OEACVGGGZSSJCT-MRXNPFEDSA-N 450.395 5.020 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2)c1 916849099 RXNJAWQQTHXDLS-QFIPXVFZSA-N 456.523 5.109 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916883772 UJPJKXLWGBHFTQ-GOSISDBHSA-N 470.268 5.655 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])n1 916885347 ULCIMQOZFJBYEQ-HNNXBMFYSA-N 472.935 5.126 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916887911 OYJHKSBTMRPMGS-FQEVSTJZSA-N 471.529 5.481 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c2cnn(C(C)C)c2n1 916916261 QRZDOLPYWLLCCA-XMMPIXPASA-N 487.563 6.102 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc12 916927195 FTGMQYWJVSEZNI-MRXNPFEDSA-N 487.343 5.803 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1OC 916934995 LDGJWWNHALUBNM-MRXNPFEDSA-N 489.475 5.116 30 20 JKED COc1cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1c(C)noc1C 916936226 DSFXXZWGWMEPMK-SBLNNXNXSA-N 497.910 5.032 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1 916947865 BYKSUVQXQQHGBE-NIRIFSCTSA-N 459.590 5.017 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)cc1OC 916948356 UJQHAYVHRLYWJE-DNVCBOLYSA-N 487.394 5.721 30 20 JKED COc1cc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1c(C)noc1C 917024940 DCDGFWIDBORRDR-IZKUIKQZSA-N 485.565 5.892 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042567 GCIFCIFKVMCHTM-IAQYHMDHSA-N 481.496 5.391 30 20 JKED CCCCc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)CC2=O)cc1 917042891 ISYAERJGENIPAS-MJGOQNOKSA-N 450.489 5.003 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)[C@@H]1c1ccc(OC)cc1 917046481 KIFAEHVPFLFSOM-ROKPMTFOSA-N 496.032 5.915 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047152 SBKVBOIKZLCNHX-JOYOIKCWSA-N 453.720 5.495 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)c1 917430186 GOURRUDGGNFWIH-CRAIPNDOSA-N 486.519 5.744 30 20 JKED Cc1nc2ccnn2c(C)c1CCC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917431284 BIYUANSJENRQBO-LPOHCXMGSA-N 459.619 5.080 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cs1 917560461 ZJQHARXRUJEGCR-XFXZXTDPSA-N 479.026 7.414 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 920101879 LLOZTBGHFQBAHI-LJQANCHMSA-N 463.415 5.888 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cc(C)on1 920356991 SFQHRMKOBAWTSR-NRFANRHFSA-N 498.992 5.114 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2nnn(-c3cccc(Cl)c3)c2C)cs1 920389822 USPJPWWJCRLQGK-FMIVXFBMSA-N 477.977 5.575 30 20 JKED C=CCN(C(=O)Nc1ccc(F)c(NC(=O)c2ccccc2I)c1)C(C)C 920783046 KCGDXXBRRNNLOD-UHFFFAOYSA-N 481.309 5.111 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)n1 921216511 YNYHERIPJJYBOU-INIZCTEOSA-N 496.997 6.177 30 20 JKED COc1cc(C=NNc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])cc1OCC(F)(F)F 921255732 AZGOURRFRCCBHM-UHFFFAOYSA-N 452.414 5.114 30 20 JKED COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCCN(C)C1CCCCC1 1697275953 JDENBTLHLDGAHU-SFHVURJKSA-N 459.038 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1778142234 OMWNTYHLISGQNO-UFHPHHKVSA-N 499.051 5.720 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](c1ccccc1)[C@H](C)CC)C2 1779510746 RYSROFFTRFZBHG-UQCYUJMQSA-N 468.682 5.323 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCCC4(F)F)cc3)CCC2)c1 1786465718 UFQMSOURJDVBBC-FQEVSTJZSA-N 455.480 5.271 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Cc3ccco3)CCC2)cc1 1786546662 REERELLHWBPQAO-CVDCTZTESA-N 495.620 5.062 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cn1 1786839914 FNWBHMAHZLOYNJ-HXUWFJFHSA-N 466.585 5.398 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnn(C(C)(C)C)c3Cl)cc2)CCC1 1787130740 YZSUQFPAJPVIFR-FQEVSTJZSA-N 469.029 5.808 30 20 JKED CO[C@@](C)(C(=O)NC1(c2ccc(NC(=O)C3(C#N)CC3)cc2)CCC1)c1cccc2ccccc12 1787882540 XOMQSZZTZYOYKN-HHHXNRCGSA-N 467.569 5.139 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc1 1788359963 KIAGKDCBKISRON-ZCTHSVRISA-N 492.579 5.517 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c[nH]nc45)cc3)CCC2)c1Cl 1788454627 IEBWSGPCZUARBF-UHFFFAOYSA-N 469.932 5.149 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4Cl)cc3)CCC2)cc1 1788476363 HOEXYRGHKPUOOH-UHFFFAOYSA-N 497.986 5.420 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3sc(Br)nc3C)cc2)CCC1)C(F)(F)F 1788871411 JLKOEJFJUCLRMY-UHFFFAOYSA-N 488.329 5.080 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnnc5ccccc45)cc3)CCC2)c(Cl)c1 1788959123 FEVPTHRWFSOANA-UHFFFAOYSA-N 481.943 5.216 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4OCCO5)cc3)CCC2)c(Cl)c1 1789003368 BIGUMRBIQHTLGC-UHFFFAOYSA-N 487.943 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cnc4[nH]ccc4c3)CCC2)cc1 1789458240 ROJSKJHCUVSCRN-DEOSSOPVSA-N 456.590 5.398 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3=CCC=CC3)cc2)CCC1 1789647111 IZANPLJIKISZEY-RUZDIDTESA-N 491.632 5.094 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](F)c4ccccc4)CCC3)cc2)c1 1790072706 HSSBJIDOFXHWIY-DEOSSOPVSA-N 457.505 5.025 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(C)ccc5[nH]4)CCC3)cc2)c1 1790072901 BPQJELQSIHSWSZ-UHFFFAOYSA-N 478.552 5.418 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sc(C)cc4[nH]3)CCC2)cc1 1790568503 ZTLTUOJVHRFDRJ-INIZCTEOSA-N 452.580 5.086 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2)CCC1 1790685096 CFPJQMGPRIJIPG-UHFFFAOYSA-N 478.589 5.121 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cnc5c(F)c(F)ccc5c4)cc3)CCC2)cc1 1790963425 CYVFRXZEKNWHHK-UHFFFAOYSA-N 496.517 5.375 30 20 JKED C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1)Oc1ccccc1 1791145940 SAAVNPONIARZOX-HXUWFJFHSA-N 453.542 5.164 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ncc(C(F)(F)F)cc3Cl)CCC2)cc1 1791586235 VOWFYTKDOALNNG-UHFFFAOYSA-N 463.887 5.305 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC=CCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681288 DKUNNNRYEWOAJL-REWPJTCUSA-N 479.621 5.042 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3csc(-c4cccnc4)n3)CCC2)cc1 1791727511 TZYZKLAQDIACMP-UHFFFAOYSA-N 458.587 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnnc5ccccc45)CCC3)cc2)c1 1792123614 MPQNMUHGGDMLDW-IBGZPJMESA-N 475.552 5.318 30 20 JKED COc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792125453 ZYPPOTZVIRFEDO-QGZVFWFLSA-N 459.571 5.445 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(OC)c3)cc2)CCC1)C(F)(F)F 1792150591 PWMSTFXXXXVGEE-UHFFFAOYSA-N 452.860 5.215 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)c(C)o1 1792168410 WYGZPIHYGHTIHV-UHFFFAOYSA-N 471.557 5.617 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792207766 ICFGYENKVUOGLS-FGCOXFRFSA-N 493.648 5.102 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3cccc(OC)c3)c1)C2)c1ccccc1 1798552986 FMNYHIMPAVHLIQ-IYOUEGCASA-N 495.623 5.139 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@H](S)C(C)C)C4)ccc21 1799314133 DNOUSPIBHWHBGL-XZWCOCNFSA-N 463.647 5.021 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1800399503 IYOOTRIOHDVFOV-BHWKYUNUSA-N 494.451 5.465 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1803086254 HKJCRJKTEBFKHJ-ATIYNZHBSA-N 498.652 5.637 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1803086975 PVCHAHZJQNYDNT-OFVILXPXSA-N 477.992 5.569 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1803088841 PREYEMBXQQXERZ-WMZHIEFXSA-N 465.644 5.446 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1 1803679033 LKUJPWBKGXFHJB-OXCBMLQPSA-N 478.596 5.250 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1804164760 UGHSFOKDDIEIKK-CUBQBAPOSA-N 485.628 5.312 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)CC3)C2)c1 1805323584 IETJVJVOWKJOCJ-UHFFFAOYSA-N 489.019 5.171 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810590053 DKDRAMICJSFCGO-DENIHFKCSA-N 491.966 5.053 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(CC(C)C)cc2)[C@@H]1c1cccnc1 1811629188 WDCCMBNCRJRDAL-PFBJBMPXSA-N 459.634 5.368 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1815157598 WGJOXZCXTRNGSX-OCBMDVHSSA-N 497.599 5.155 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815656276 LYGPFHAFHHOBDG-NFBKMPQASA-N 475.058 5.414 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3csc4c3CCCO4)n[nH]2)c1 1817801816 OODACNUJWPNNET-KSFYIVLOSA-N 489.601 5.043 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818867825 IVRDOZZCTGWGGH-WMTXJRDZSA-N 487.991 5.353 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(F)CCCCC2(F)F)n[nH]1 1818889475 LVIDPXDDUJMTRN-CVDCTZTESA-N 496.650 5.371 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3[nH]2)n[nH]1 1818986183 AVTZPDXHRGFBOI-NRFANRHFSA-N 469.536 5.468 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)[nH]n1 1819305103 CUEDDIGZSWXUPL-MAUKXSAKSA-N 469.636 5.464 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1819307453 UWZQJFAXZXZDCS-WBVHZDCISA-N 454.621 5.760 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[nH]n2)cc1 1821180293 RBOGNWXBAMPUSX-OAQYLSRUSA-N 473.602 5.036 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)[nH]n2)c1 1821322191 RKIWTXZAPYSKGN-RUZDIDTESA-N 496.546 5.344 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1 1821417419 YOVJEFOCLPOSNX-XMMPIXPASA-N 487.680 5.315 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc(Br)c3)CCCC2)n[nH]1 1821870711 DEFLWUSVXYYUSP-NRFANRHFSA-N 497.437 5.090 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1821923701 NKFUMFHRIAQHEZ-VGOFRKELSA-N 461.541 5.129 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)[nH]n1 1821927293 AWCRVPKHXHVZMO-RMPFSWKXSA-N 477.428 5.151 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2C)[nH]n1 1822399990 DWBHIUNYLCYKLX-KRWDZBQOSA-N 465.779 5.016 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)c2[nH]1 1823215396 QPWWDLOXJSMUIU-XDHUDOTRSA-N 480.572 5.446 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1C 1823217330 KLOMNZKQDQWKOT-CYFREDJKSA-N 455.562 5.273 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1ccc(C(F)(F)F)cc1F 1823294403 NYOPUFCEWKUACG-HNNXBMFYSA-N 492.395 5.216 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1824032063 ULMWGBPZDNNWRC-KCHLEUMXSA-N 487.619 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 1824143412 MFRXQVYLBPKGLZ-LJQANCHMSA-N 469.573 5.164 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1824538338 OYGLUTMYPSVAKI-VXKWHMMOSA-N 462.059 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1828823340 RLOYBQLBYYNVQH-TZIWHRDSSA-N 466.544 5.609 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 1829068038 BAGKMODGSREJSL-JIMJEQGWSA-N 466.666 5.411 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)ccn3)CC2)c1 1829353219 HEOKLLIKIOXZGE-UUOWRZLLSA-N 498.549 5.275 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)c1 1829777318 SJOPLDJEPRPJLW-XMMPIXPASA-N 497.624 5.196 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1830151767 ARUPHKPRSXVFSC-OFVILXPXSA-N 483.056 5.147 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC=CCC3)CC2)cc(C(F)(F)F)c1 1830280313 JAJYUVFXMRYDGD-NZQKXSOJSA-N 473.539 5.167 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830656494 VZYLTWQSIYFABY-OAQYLSRUSA-N 485.427 5.349 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831031224 OARMIWYWJBCBSV-IBVKSMDESA-N 476.617 5.072 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831745241 QJBJMVIXGCLAHZ-DHLKQENFSA-N 487.710 5.039 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)cc1 1831750356 ACUDIYXHQWABEA-HOFKKMOUSA-N 483.697 5.382 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1832630054 XVVFDEJMGRECON-NIYFSFCBSA-N 496.026 5.582 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2[nH]1 1832632150 LBIBOJYIBJBSGP-DCFHFQCYSA-N 482.628 5.651 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)c1 1832633258 FEQLOSYICAUOGV-KDYSTLNUSA-N 473.617 5.178 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1 1832633295 GEAHJWWOJFWJIM-MHECFPHRSA-N 481.999 5.653 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cccc1C(F)(F)F 1832704583 MJGUWHKYGFGFQN-RUZDIDTESA-N 497.561 5.627 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)cc1C#N 1832704886 XUCCSQCLVRYYJN-NSOVKSMOSA-N 499.655 5.309 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1832747490 LTRNPJXESZRRNR-RDPSFJRHSA-N 467.654 5.117 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4occc4n3-c3ccccc3)CC2)CCC1 1832786570 ZGIKVURQZRLFMK-HSZRJFAPSA-N 484.600 5.151 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)CC1 1838374020 ZRPVPQGCAJXMRY-MHZLTWQESA-N 487.644 5.129 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)C1 1844742692 NCGANMRVGZXREN-QFIPXVFZSA-N 455.602 5.400 30 20 JKED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)c1 1845279002 WSUUPDHSHJQPPH-MUUNZHRXSA-N 499.561 5.206 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)c(C)c2c1 8807338 SHEWOEWZHCOTDO-UHFFFAOYSA-N 478.570 5.260 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nc2cc(Cl)ccc2c1=O 9085729 LXOCMWZPYHHFAJ-UHFFFAOYSA-N 478.799 5.038 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CSc1ncnc2scc(-c3ccccc3)c12 9248318 GPDFFHVZQDUERZ-UHFFFAOYSA-N 494.985 5.157 30 20 JKED N#CCN(C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1 9570472 SRYVOENDKGGQBN-UHFFFAOYSA-N 473.989 5.160 30 20 JKED COc1ccc2cc(CNC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)ccc2c1 9877683 UUSIRCXJEZAHRP-UHFFFAOYSA-N 481.577 5.381 30 20 JKED CCc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)cc1 21174897 DMBTXKQVXVVADW-UHFFFAOYSA-N 486.622 5.295 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(C(CC)CC)cc2)cc1 22729396 ORVQAJIGJFAOPY-UHFFFAOYSA-O 475.678 6.944 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)s1)[n+]1ccc(Cc2ccccc2)cc1 22732062 CGELVWOYNNYFLW-UHFFFAOYSA-O 471.671 6.548 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c3c(C)noc3n2)c(C)o1 28673847 PABPOFZQOYZARM-AWEZNQCLSA-N 490.541 5.014 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=O)[C@H](C)Oc2ccccc2C#N)c1C(=O)N1CCCCC1 29784190 SSHIBMJPBYYTAD-IBGZPJMESA-N 473.598 5.627 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)CC2)cc1 29985923 IOTBDGQPYCJTDX-UHFFFAOYSA-N 479.506 5.064 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c12 33196715 CUYNKWFCJWWYTB-CHWSQXEVSA-N 489.391 5.977 30 20 JKED CC(=O)N(c1nc(/C=C2\COc3ccc(Br)cc3C2=O)cs1)c1ccc(F)cc1F 71826605 LRVGNCVBPKSXPF-WUXMJOGZSA-N 491.313 5.527 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nnc1-c1ccccc1F 195568792 BKJZOELMPBWAGQ-UHFFFAOYSA-N 468.579 5.703 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 250688767 IEVKIYCHBZONOX-SLJCHPFQSA-N 499.656 5.140 30 20 JKED C=CCN(C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 410138211 DOFJVZOWCBJYKI-LJQANCHMSA-N 498.670 5.632 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 481253990 PBQGVJONEUOGIV-UHFFFAOYSA-N 480.499 5.191 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 497884047 POPUZHARJFHXJU-KRWDZBQOSA-N 457.496 5.204 30 20 JKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 498097558 HFABUNZVLSBGTK-UHFFFAOYSA-N 451.548 5.969 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2cc(Br)ccc2F)cc1C 499167075 JUKLGRZTMADYSC-UHFFFAOYSA-N 469.358 5.254 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1C(F)(F)F 502091213 USNZLQUTBFBSTR-UHFFFAOYSA-N 489.391 5.869 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3ccccc3Sc3ccccc3)CC2)c1 502626409 HPTOZXWGGUJRQH-UHFFFAOYSA-N 470.598 5.270 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 508158432 ONBABVRUZXMEAO-UHFFFAOYSA-N 465.557 5.185 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCSCc2ccccc2C#N)cc1 508244423 YKGIETYMTSBGQQ-UHFFFAOYSA-N 458.543 5.286 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c2nccn2C)cc1 508262849 CFXJIWSFRPGOLP-RUZDIDTESA-N 483.528 5.012 30 20 JKED N#Cc1c(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)sc2c1CCCCCC2 508958457 KIEPCCSSEMXLPT-UHFFFAOYSA-N 463.460 5.270 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(N3CCCCC3)c2)cc1Cl 510053186 DRKQWNLJBBDGNO-QHCPKHFHSA-N 459.981 5.702 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 510238837 HXZWWDPQTSQTNO-IBGZPJMESA-N 481.603 5.088 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1OCc1ccc(Br)cc1 510628632 JETGZWQKADWXMH-SFHVURJKSA-N 477.314 5.668 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1Br 511380734 PUYVTBPVJVQRTN-KRWDZBQOSA-N 452.146 5.125 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(Cc4cccc(F)c4)CC3)c2)c1 511529063 ONLFWRPTSRMXOT-UHFFFAOYSA-N 456.521 5.436 30 20 JKED N#C[C@H](C(=O)c1ccc(I)c(F)c1)c1nc(-c2c(F)cccc2F)cs1 511747880 CRRITYKHLOHVBD-SNVBAGLBSA-N 484.240 5.322 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1Sc1ccc(Br)cn1 512854649 CHQIQCVHSIIURP-UHFFFAOYSA-N 454.349 5.518 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Br)cc1 513648786 UFVOJUSZCUMTTH-LJQANCHMSA-N 490.357 5.413 30 20 JKED C=CCn1c(SCc2csc(C(C)C)n2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 513961156 XDGBEGJGBAXRAW-UHFFFAOYSA-N 491.708 5.034 30 20 JKED COc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1Br 513984925 ITWZUYIHZOMFRM-UHFFFAOYSA-N 480.362 5.424 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 515957679 VVDHXLFWPQYDGG-UHFFFAOYSA-N 467.525 5.043 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1 516738703 FAJWBFCIOUAWGZ-QHCPKHFHSA-N 494.016 5.060 30 20 JKED COc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OCC(F)(F)F 517350361 GEYHTIVTDSIUFH-UHFFFAOYSA-N 456.420 5.339 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 517815682 YBXPPAOPNZWDNZ-UHFFFAOYSA-N 479.492 5.503 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 518130305 PTPMSPBYRGGGNG-QGZVFWFLSA-N 481.647 6.168 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 518168501 JILAVCFAXLRFHY-IAGOWNOFSA-N 473.440 5.349 30 20 JKED C=CCN(C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 518258886 AWSOJLCHJJTGKF-FGZHOGPDSA-N 482.588 5.892 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 519011236 RHDPSCGJGLEZIE-LJQANCHMSA-N 454.530 5.669 30 20 JKED C=CCN(C(=O)c1sc(-c2cccc(Cl)c2)nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 519505470 XDQULQPDAPEEBP-INIZCTEOSA-N 464.982 5.137 30 20 JKED Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)n2)cc1 520195807 MLSILDLMXUSPOV-VQTJNVASSA-N 490.633 5.350 30 20 JKED O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NCC#Cc1cccc(C(F)(F)F)c1 520436971 MCEROHUXPTWSEF-UHFFFAOYSA-N 495.501 5.715 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 520440854 ZXQALVUPTCKHAK-UHFFFAOYSA-N 452.533 5.530 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](CC(C)C)c1cccs1 524425796 AXVTVARVOSZIRR-QHCPKHFHSA-N 461.587 5.349 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(C(F)(F)F)c1 524468749 GIIGUSLNBZISBF-CQSZACIVSA-N 485.553 5.040 30 20 JKED Cc1cc(COc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2Br)no1 524572499 BXGZZDJKMANJNE-KRWDZBQOSA-N 495.160 5.626 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccc2Br)n1 553303184 AUQULOCHJVGOQN-CYBMUJFWSA-N 488.436 5.359 30 20 JKED Cc1c(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cnn1-c1ccccc1F 560067974 ZCZJUKGNCLPMCW-UHFFFAOYSA-N 491.363 5.454 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Cl)cc1 603693032 TUOLXLSGJQGHII-QFIPXVFZSA-N 458.909 5.044 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)cn2)cc1 603765217 SLKJRLLLHBPQNE-VWLOTQADSA-N 462.509 5.245 30 20 JKED CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603766183 MSRMPMFHIMCQTG-NRFANRHFSA-N 452.963 5.430 30 20 JKED CCOC(=O)c1sc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)c(C#N)c1C 603947928 ULWFIWVJNCAHAF-UHFFFAOYSA-N 496.433 5.234 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604211581 UBOGJKHWHFXQHT-AWEZNQCLSA-N 469.328 5.210 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 604438597 CWOLBGBKEZIZPK-HXUWFJFHSA-N 496.592 5.450 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604561822 HHLOSPQJXTXXOX-UHFFFAOYSA-N 453.502 5.497 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)cc1 608892032 ZEEOPZBLGSPCON-UHFFFAOYSA-N 492.539 5.389 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)cn2)c1 608995088 ZOXUYQBSSOAUPI-OAQYLSRUSA-N 452.873 5.143 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccc(Br)cc2I)c1 609031165 DYFSTUXOCNGMTG-UHFFFAOYSA-N 472.120 5.261 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 609049361 ILDIUELNTXIQAZ-UHFFFAOYSA-N 470.504 5.718 30 20 JKED CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 609164631 SWZUZJBDTDVXGR-JOCHJYFZSA-N 467.978 5.399 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 609206815 FZEYSXUVGCIVPE-SANMLTNESA-N 468.557 5.014 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1NC(=O)c1ccc(Br)cc1 609375274 BMSOYQWEOSMCKT-UHFFFAOYSA-N 494.414 6.268 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 611191041 YIPBGBRXGNWMPG-UHFFFAOYSA-N 481.622 5.091 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)[C@H](C#N)c4nc5ccccc5n4C(F)F)c3)cn2c1 613401647 IIGQYDFDSOCAEH-FQEVSTJZSA-N 471.467 5.457 30 20 JKED N#C[C@H](C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc2cc(C(F)(F)F)ccc2s1 613404436 NHJPBMCUNIHDCU-LLVKDONJSA-N 481.381 5.405 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 614381894 FNOVFUCAFVXCJY-CQSZACIVSA-N 452.898 5.468 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1OC 620760712 NVUYBFIFCGQCSN-PZJWPPBQSA-N 450.348 5.172 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 620890540 WWIQBLKBQGRBPR-LISAXSMJSA-N 454.430 5.063 30 20 JKED O=C(c1ccncc1C(F)(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518099 WFTPVHPVRSDCET-HNNXBMFYSA-N 472.307 5.352 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3C(=O)c3ccccc3)s2)cc1 645335014 LKGMBSRKKPNYBC-UHFFFAOYSA-N 456.552 5.185 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N/[C@H](C)c2cccs2)n1 726418510 DKCFCDGHBQAILG-VXXYOONBSA-N 482.606 5.181 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)c1 727919750 PVWJYHDEKIOKQR-UHFFFAOYSA-N 486.528 5.327 30 20 JKED COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062176 IWESBBOMFUNOLN-OAHLLOKOSA-N 480.908 5.147 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1 728424325 YYPLWFQQRWPEEH-FQEVSTJZSA-N 460.584 5.089 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 728775765 BOUZKZVLJVMPIF-FQEVSTJZSA-N 489.428 5.325 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1scnc1C 729141952 GIPMSRXUWCWZQE-LJQANCHMSA-N 468.579 5.060 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)c2)cc1 729375679 QHJRNBGWBCYNER-UHFFFAOYSA-N 458.495 5.170 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1C 730459211 IKDZBWFBKVFGMI-FQEVSTJZSA-N 475.536 5.835 30 20 JKED C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1N1CCC(O)CC1 730675608 ONRVWXPKYMLNFH-TTZDDIAXSA-N 499.471 5.057 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(NC(=O)OC(C)(C)C)c3)n2)cc1 730690736 CPROWKCYPGTYOU-KRWDZBQOSA-N 467.522 5.795 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@H](c2ccccc2)C2CCC2)C1=O)Nc1cnccn1 730709277 QTLALHXNMZTUOH-XUZZJYLKSA-N 489.576 5.117 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1Cl 730896766 CSIXYIFBJWIFGG-IFMALSPDSA-N 473.882 5.869 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 730942190 HWQLAOWJYXHVJW-AVRWGWEMSA-N 498.583 6.095 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccnc2)ccc1Cl 731017237 IJDKKVSFMLMVME-INIZCTEOSA-N 490.412 5.261 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)s2)n1 731075582 FQQYJNIUGGPOCK-CYBMUJFWSA-N 492.047 5.501 30 20 JKED COc1ccc(OCc2nnc(SCc3ccc(OCC#N)cc3)n2-c2ccccc2F)cc1 731158718 GWBRKQQZGRQNLG-UHFFFAOYSA-N 476.533 5.189 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1cccc(O)c1 731305637 FLQVDQUGRLJIJF-HSZRJFAPSA-N 470.554 5.034 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1c(C)cc(C)cc1Cl 731309461 SXVZVSPWOUTZOE-HXUWFJFHSA-N 490.025 5.049 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2Cl)C1=O)Nc1cccc(O)c1 731310793 QAAQBNVQJBIGHY-NRFANRHFSA-N 483.952 5.345 30 20 JKED C=CCn1c(C)cc(C(=O)COC(=O)c2oc3ccccc3c2CSc2ncccn2)c1C 742950380 TYBZLQRNPAYZHQ-UHFFFAOYSA-N 461.543 5.159 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 744916957 UOLPGEDYKUCCSQ-VWLOTQADSA-N 462.553 5.168 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1F 746697722 KQXSEXXLNMGSLH-IBGZPJMESA-N 497.514 5.018 30 20 JKED C=C(C)COc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)ccc1OC 747047387 YWAMCXMKXZYBDJ-UHFFFAOYSA-N 479.389 5.298 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cscn3)C2=O)c1 747600420 AYMFFQDRUKVRIN-FQEVSTJZSA-N 486.569 5.199 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c3ccccc3n2)cc1 749148216 VMIIYLBBAXZVJF-UHFFFAOYSA-N 474.564 5.573 30 20 JKED COc1ccc(N2C/C(=C/c3csc([N+](=O)[O-])c3)C(=O)/C(=C\c3csc([N+](=O)[O-])c3)C2)cc1 750916222 KSCUCWRXTJPNNE-DQCYIKBWSA-N 483.527 5.191 30 20 JKED COc1ccc(NC(=O)[C@@H](Sc2nc(O)c(C#N)c(-c3ccc(OC)cc3)n2)c2ccccc2)cc1 824963668 DRQJMJAHFCCBSI-DEOSSOPVSA-N 498.564 5.210 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@H](C)c3cccnc3)C2=O)cc1 837301472 KZZKLACWTDLUPF-NTKDMRAZSA-N 488.613 5.510 30 20 JKED CC(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2Cl)CC1 837706320 ZAXNOBQPNCYMEY-JOCHJYFZSA-N 485.053 5.173 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2ccc(Br)cc2)s1 863968456 SGAZFSZWCGEGCL-UHFFFAOYSA-N 489.192 5.532 30 20 JKED CC(C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccc(C(C)(C)C)cc1 912836297 MINZABVDDOOYGJ-UHFFFAOYSA-O 454.660 5.277 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)COc1ccc(C2SCCCS2)cc1 914520978 RXPNCIXHNAQILB-UHFFFAOYSA-N 492.641 6.487 30 20 JKED Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=S)Nc2ccccc2C#N)cc1 916014905 PHHMLBOMLRSBAG-UHFFFAOYSA-N 458.587 5.151 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCCc2ccccc2)C1=O 916204863 JLOHPOZJXZWNPE-XMMPIXPASA-N 473.598 5.288 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccccc3)C2=O)cc1OC 916207925 OXLIHOJYIIEUKW-XMMPIXPASA-N 489.597 5.173 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(Cl)cc1Cl 916214134 KZCUIGLRGNOSDY-GOSISDBHSA-N 466.390 5.372 30 20 JKED COc1cc(C=NNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916269106 RJIGJOJUMSWJEB-UHFFFAOYSA-N 488.422 5.086 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccco1 916941875 AZCNUONDLUYGHT-QGZVFWFLSA-N 456.285 5.108 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1ccc(-c2nc3ccccc3s2)cc1Cl 917014014 MKSVOBGXYSXAIJ-UHFFFAOYSA-N 487.972 5.686 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C\C(=O)c1ccc2c(c1)CCC(=O)N2 917146475 NYAPAOHMLAKSEX-LUAWRHEFSA-N 450.336 5.032 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2ccc(F)cc2)n(C[C@@H]2CCCO2)c1=S 917485812 YMVCGDDQYSSDOY-QHCPKHFHSA-N 468.598 5.053 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)cc1 917683153 SUXZOTUPXPBALD-XPWALMASSA-N 497.064 5.236 30 20 JKED C=CCn1c(C)cc(C(=O)COC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1C 919296491 LBNYTYREBBYHMB-UHFFFAOYSA-N 461.543 5.012 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 920141867 IILUCPCZTBGEFZ-QGZVFWFLSA-N 482.974 5.491 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc3c(c2)CCC3)cc1 920394998 CICAHISVPUPRPJ-UHFFFAOYSA-O 460.623 5.343 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OCc1ccccc1 920803812 DNNZTGFMRLNUBS-GOSISDBHSA-N 476.504 6.166 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1779271372 MPRJACNDCILMDT-WSOLHVCVSA-N 497.035 5.496 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CC3(C)CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786106562 YGZQPISGVNYQDW-UHFFFAOYSA-N 495.664 5.536 30 20 JKED Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)n1 1786738086 LMXGEHQGTLNVSG-UHFFFAOYSA-N 472.976 5.296 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5ccc(Br)cc45)CCC3)cc2)CC1 1787881226 NGLXVTHHDHLNTL-UHFFFAOYSA-N 489.373 5.049 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)on1 1790163583 PDWQGWBLDQXEAT-UHFFFAOYSA-N 462.937 5.385 30 20 JKED CCSc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(OC)c3)CCC2)cc1 1790210347 TWXPKMHCYSNQNM-UHFFFAOYSA-N 486.597 5.135 30 20 JKED COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)c1 1790692642 PKUOHLGGNZZYPJ-MRXNPFEDSA-N 499.633 5.108 30 20 JKED COc1ccc([C@H](C)C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1 1790705357 VGGYFCDPCMREBG-FQEVSTJZSA-N 467.569 5.313 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5C=CS[C@H]54)CCC3)cc2)cc(C(F)(F)F)c1 1790787916 WJZIGFGTRCMXEH-NJDAHSKKSA-N 483.515 5.200 30 20 JKED Cc1cc2[nH]c(C(=O)NC3(c4ccc(NC(=O)c5n[nH]c6ccc(C#N)cc56)cc4)CCC3)cc2s1 1790836557 MKUFYWPZNHSJOS-UHFFFAOYSA-N 494.580 5.347 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)CCC2)cc1 1791243285 JMHKKUDZWPKFFT-VXKWHMMOSA-N 473.617 5.003 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791250532 TYWZKPKAWUNKGK-FGZHOGPDSA-N 497.680 5.760 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)OCCO5)CCC3)cc2)c1 1792123717 PKOLSZQEDBHAAX-IBGZPJMESA-N 481.552 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5n[nH]cc5c4)CCC3)cc2)c1 1792123951 VECSCPYYLASTHM-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccsc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204090 KCXKFUQMILZDRN-JOCHJYFZSA-N 497.661 5.284 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccc(Cl)cc3)no2)c(Cl)c1 1796491116 UHXZGGCYLNAYSF-REPLKXPHSA-N 495.366 5.086 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(Cc4ccc(F)cc4)c2)C3)cc1 1800543370 OCGRVZQPJQQZNZ-OUOZDZGXSA-N 481.571 5.048 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(C)cs2)[C@H]1c1cccnc1 1802492493 QFCOJUZGESQIJQ-QPPBQGQZSA-N 453.652 5.083 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nscc23)[C@@H]1c1cccnc1 1802499823 JRKKFPIIXBMUAO-WMZHIEFXSA-N 462.619 5.003 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1806025668 OJRFIWTUWPNTFY-DENIHFKCSA-N 498.067 5.064 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)Cc3cccc(CCCCC)c3)CC2)C1 1806678929 SDRNINKJTZEUCZ-UHFFFAOYSA-N 456.696 5.112 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)s4)C3)CC2)c1Cl 1806797677 DCCIKFHJPIAFPK-UHFFFAOYSA-N 476.429 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1809106247 NUGWUSARXPHHGR-REWPJTCUSA-N 476.646 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1810175207 XMLZVQKISRFDQF-BKSPAHHJSA-N 477.008 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810493012 SZBJVVYUHUPVIT-WNOPAQSVSA-N 468.041 5.537 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1810501760 CUCALFLRLONNBL-JHMXWDHMSA-N 465.613 5.098 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810717887 DZOJIQYWLAXJIZ-RCXJIHSJSA-N 489.641 5.148 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c1Cl 1811709486 DHCNURNQJMVTDB-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c1 1811858497 NUUJJLHMSOQZAK-MVCUUDKNSA-N 478.596 5.219 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c1 1813836859 BEIOSZSEAGPLIV-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c1 1813863120 FYFYJWFKBJAFIU-IUBQTAPSSA-N 490.966 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)s3)[C@H]2c2cccnc2)c1 1813864952 JDJDYSIUXUQOPG-CGYQNGNCSA-N 479.005 5.057 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1 1817588374 RJQMZCFHGDNASS-XMMPIXPASA-N 459.594 5.284 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)n2C)n[nH]1 1818381110 LHDSMRCFSAJRAC-MRXNPFEDSA-N 465.520 5.065 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3sc4ccccc4c3Cl)n[nH]2)c1 1818606891 MUBARRCWJCQPKE-KRWDZBQOSA-N 478.965 5.097 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)[nH]n1 1819305747 YYDQPYKXDGLFAY-FPOVZHCZSA-N 474.527 5.432 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1819309101 MPIIPBYBIOZXAD-DYESRHJHSA-N 451.958 5.009 30 20 JKED CCC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)n1cccc1 1820219423 RVPMNYAAZKTECA-SFTDATJTSA-N 478.984 5.084 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)n[nH]1 1820668031 RISHRFAXZVFDTL-RNXOBYDBSA-N 489.664 5.225 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)c2s1 1821182534 SKLOTITUVOTHEV-JOCHJYFZSA-N 484.585 5.014 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)cc1 1821183032 NQLSBQFRZLSTDB-IBGZPJMESA-N 483.906 5.027 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)n[nH]1 1821357406 HRZGISSOFAJGOZ-FQEVSTJZSA-N 481.597 5.256 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4c(Cl)ccnc4c3)n[nH]2)cc1 1821386092 ZHBUOMXZZJLCQF-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1821928787 PNRRITMLSCVKFY-XIKOKIGWSA-N 453.345 5.374 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)nc2ccccc12 1823215540 UPDIWEGZCPILQJ-SIBVEZHUSA-N 492.583 5.513 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)n[nH]1 1823348774 PEPWZPKXMXSAOA-PZJWPPBQSA-N 489.661 5.089 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(Cl)c3)CC2)C1 1823701591 NKIZNQWHWIDHIP-OAQYLSRUSA-N 479.846 5.302 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1)c1ccccc1 1823806700 AXOPFPPTHREFHD-LMSSTIIKSA-N 471.645 5.160 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1824539490 XMTGPVOPGIRFPT-AZGAKELHSA-N 481.706 5.094 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1824951672 PEEGJSVYNYCJCT-RUZDIDTESA-N 494.035 5.141 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2nc(C)sc2C)CC1)c1ccccc1 1825309220 ZXBBFQNBELPLFJ-XNMGPUDCSA-N 491.701 5.119 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1827356538 QEFIKWZWEJTCMU-VWLOTQADSA-N 479.571 5.064 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1828826373 CJYXQHYCTIELBA-VWNXMTODSA-N 489.685 6.156 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1 1829069800 AKAHZAPPAMYUQO-RUZDIDTESA-N 453.671 5.243 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(F)c3F)CC2)c1Cl 1829691925 AISYJHWSSRNWRX-NRFANRHFSA-N 489.925 5.176 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829702248 ZICSJUTXTPAYBW-HTAPYJJXSA-N 474.001 5.120 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)c1 1829952169 GBAQPAHYZGKZLF-QOEIGGFQSA-N 496.655 5.170 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)cc(C(F)(F)F)c1 1830350878 TWMVEFKRAPZTNL-HCXLOTKHSA-N 487.566 5.557 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c(F)c1 1830519744 BKBOJFMSCRTOPT-VWLOTQADSA-N 486.704 5.119 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536138 BALMSDPRBDCBMC-GOSISDBHSA-N 476.461 5.289 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536141 BALMSDPRBDCBMC-SFHVURJKSA-N 476.461 5.289 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831376182 LIBCQJAVWGWXJL-PVERMEFCSA-N 487.482 5.385 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1)C(F)(F)F 1831451282 PMPMMMGUICVIOD-HXUWFJFHSA-N 475.511 5.002 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)s3)CC2)cc1C#N 1832701326 DICFRCMPSKAAOZ-NRFANRHFSA-N 483.609 5.093 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)c1 1832719051 FZGKZHJWRGWANR-HXUWFJFHSA-N 493.822 5.394 30 20 JKED CC[C@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)Nc4ccccc4C#N)n3C)cc2C1 10830176 BWAJDCJJZDOLHY-CABCVRRESA-N 451.621 5.049 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(CO)c1)c1ccc2c(c1)CCC2 11128993 XYUQXDGFGGQACD-UHFFFAOYSA-O 471.524 5.025 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1F 11249043 WADCTOPHUZHIFG-UHFFFAOYSA-O 495.521 6.172 30 20 JKED COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C#Cc3ccccc3)cc2)cs1 11257428 RTQIFFJNHKPJTP-UHFFFAOYSA-N 482.561 5.593 30 20 JKED N#Cc1cccc(/C=C(\Cl)c2nc3c(Br)cc(Br)cc3c(=O)[nH]2)c1 14179155 OIQZDYJPWIZLPX-RZNTYIFUSA-N 465.532 5.057 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1 14680235 YZNLVBIZYCEQFJ-UHFFFAOYSA-N 487.654 5.711 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1F 14872431 GBZIZDVJTVLPTJ-UHFFFAOYSA-O 456.006 6.423 30 20 JKED N#CCn1c(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)nc2ccccc2c1=O 21237871 DXYAQXWBUBHAAW-UHFFFAOYSA-N 498.999 5.173 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 24874085 STZWCYBLFRPLHU-OSPHWJPCSA-N 484.025 5.035 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2ccccc2)c1C 28695862 MPGUVTBTIIELES-UHFFFAOYSA-O 490.527 5.165 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 28777444 ZUDXJBNNBDXXQC-UHFFFAOYSA-O 462.595 5.217 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29956850 QBPXSCUYSSNWOF-QRQCRPRQSA-N 464.447 5.126 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 46550567 XOUIWEFBOOVZKC-UHFFFAOYSA-N 483.435 5.899 30 20 JKED CC(C)[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)n1nnc(-c2ccccc2)n1 195652836 YJNDXNAIGNFOGS-ICSRJNTNSA-N 462.966 5.191 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 220058429 FAPHMTRXUNZZAY-UHFFFAOYSA-N 458.345 5.128 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1)c1ccccc1 303085748 GMEHQRIKOIONOY-NDEPHWFRSA-N 481.596 5.052 30 20 JKED Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1NC(=O)c1ccco1 303233313 YMTYHNRLTJOWKR-UHFFFAOYSA-N 451.482 5.543 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 410256356 ZLZQZGUHJLRSIC-UHFFFAOYSA-N 472.517 5.767 30 20 JKED COc1ccc(CSc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)s2)cc1 480458277 HFGOVPXPUPFVOX-SFHVURJKSA-N 498.699 5.883 30 20 JKED CC(C)OCc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487420594 XTMPBSBPDMWIOW-UHFFFAOYSA-N 459.493 5.802 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 489942715 PUCQLUGBVCCFNO-UHFFFAOYSA-N 455.521 5.403 30 20 JKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)CC1 491512814 GGANLICVJIMPFY-QHCPKHFHSA-N 481.040 5.766 30 20 JKED CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 498008940 WULPTVHBWUYDNS-KNQAVFIVSA-N 452.986 5.156 30 20 JKED CC[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1OCC(=O)N1CCCC1 498640993 WZXSXPVKXJTCQO-MHZLTWQESA-N 497.595 5.020 30 20 JKED N#Cc1cccc(CNC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c1 500235028 AKOWEOOFZFMTBB-UHFFFAOYSA-N 456.399 5.290 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 501055144 FQNYESQJVXRRTI-UHFFFAOYSA-N 491.400 5.611 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)cc1OC 501349943 JZWSEZJIAHRGSZ-HNNXBMFYSA-N 459.409 5.997 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)c2)cc1 501483944 XODRCKDBRVIALJ-UHFFFAOYSA-N 466.541 5.328 30 20 JKED Cc1ccc(SCc2cccc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2)c(C)c1 501743845 DYUMGMCQXIHOGP-UHFFFAOYSA-N 483.637 5.958 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(Oc3ccccc3)nc2)nnc1-c1ccc(Cl)cc1 503469649 MJIFPZDZSUAUKH-UHFFFAOYSA-N 492.004 5.380 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1SC 503549271 BMWFGTKZFYXWDC-AWEZNQCLSA-N 459.936 5.592 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)nnc1-c1ccccc1F 503713746 CJBTUGNYCMWKOJ-XMMPIXPASA-N 496.608 5.037 30 20 JKED C=CCn1c(SCc2nc(O)c3c(-c4ccccc4Cl)csc3n2)nnc1-c1cccnc1 503714626 VULOUGHJZWLMMN-UHFFFAOYSA-N 493.017 5.849 30 20 JKED O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 505505504 IWKXWBKWZFUPQW-RHSMWYFYSA-N 457.349 5.335 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1 505852836 BCIVKWIUARJJFY-UHFFFAOYSA-N 488.560 6.284 30 20 JKED CSCC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 510007394 UXYQMOBZDOQQFG-RBBKRZOGSA-N 491.020 5.654 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)nnc1-c1ccc(F)cc1 510377263 KWIRBNVSBZMOBZ-RUZDIDTESA-N 484.600 5.537 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1 510677735 CXWHQZMAYMTZFM-UHFFFAOYSA-N 475.552 5.630 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 511765081 LWFSIZUBSZWIDB-JOCHJYFZSA-N 497.642 5.119 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccc(C(F)(F)F)cn1 513203173 YQUVHBWDAXVQOZ-SFHVURJKSA-N 478.257 6.150 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccccc2SC2CCCC2)CC1 515119881 SLKNYAJANLGKAQ-UHFFFAOYSA-N 463.563 5.195 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ccc([N+](=O)[O-])c2cnccc12 515164207 QWAVYCGOOXMYJR-UHFFFAOYSA-N 453.911 5.304 30 20 JKED CCc1ccc([C@@H](NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C(C)C)cc1 515890754 XXUDBMDILJSMRB-MHZLTWQESA-N 469.585 5.346 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516711600 HWJCAZKDSGZVCJ-QGZVFWFLSA-N 482.565 5.598 30 20 JKED C[C@@](Cc1nc2ccccc2s1)(C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 517457949 RKJVZQIUEKIRRK-MHZLTWQESA-N 455.583 6.118 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1Oc1ccc(F)cc1 518154944 HXPPVBRGULGTJZ-QGZVFWFLSA-N 477.561 5.433 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 518679561 JSSOTNFMTKPRQO-UHFFFAOYSA-N 487.951 5.087 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1C 518912385 CKJCTLKQHAQGRM-GOSISDBHSA-N 458.472 5.316 30 20 JKED Cc1nc(-c2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)cs1 520712247 GLFNRPGQZLQNQX-UHFFFAOYSA-N 455.608 6.213 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 520816005 HNGWLXPDWGFVHV-OAHLLOKOSA-N 494.642 6.622 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 521726769 OSONNYNNHLEXHL-HTAPYJJXSA-N 479.005 5.975 30 20 JKED COc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(OC)c1 521732959 AGRVXVSAISITRE-CYBMUJFWSA-N 453.486 5.167 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)s1 557739270 WQHUUBSBNFHFGD-FQEVSTJZSA-N 491.682 6.494 30 20 JKED Cc1ccc(-c2noc([C@@H](C)SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1F 561176411 SFJHDGBWAWURQU-JKSUJKDBSA-N 470.595 6.011 30 20 JKED COCCN(CCOc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 562868633 LGGWBCQRTLYWRZ-UHFFFAOYSA-N 463.509 5.357 30 20 JKED C=CCN(C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 592996000 OUHAGESXVMPNJX-OAQYLSRUSA-N 465.531 5.109 30 20 JKED Cc1ccc(-c2cc(-c3nnc(S[C@@H](C)C(=O)NC4(C#N)CCCCC4)o3)c3ccccc3n2)cc1 603597672 OAQODBUOANZSRN-IBGZPJMESA-N 497.624 6.084 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cs2)cc1 603673353 IEZBOYSZIAUTAX-DEOSSOPVSA-N 488.012 6.521 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)o1 603954665 CJWWWPGCECAOMV-UHFFFAOYSA-N 495.535 5.058 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)sc2c1-c1ccccc1CC2 603992349 PXWYJNDHFZMFSG-UHFFFAOYSA-N 469.610 5.195 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCN(C(=O)CCC4CCCCC4)CC3)c2)cc1 604084785 KLLLMABFRMFFMI-UHFFFAOYSA-N 488.632 5.368 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604456972 DDJADBTYQYCOJJ-HSZRJFAPSA-N 492.373 5.506 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@H]3C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 609056928 JEDBSXFDMQNEAF-QFIPXVFZSA-N 498.366 5.670 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609081252 XECXELKZJXPEIF-FQEVSTJZSA-N 497.555 5.609 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H]3CCSc4c(F)cccc43)cc2Cl)c1 609085862 HBITUSGAOSVVFQ-NRFANRHFSA-N 495.963 5.222 30 20 JKED CCn1c(SCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnc1-c1cccs1 609175847 JECAMVFPFIQKBA-UHFFFAOYSA-N 461.572 5.421 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc(-c3ccccc3)nc21 613402494 CAUWPHUHLYZRGQ-KRWDZBQOSA-N 457.946 5.871 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1(Cc2ccc(F)cc2)CCOCC1 622618903 WYRBWJJUEKFIQB-UHFFFAOYSA-N 479.392 5.150 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2c(F)cc(Br)cc2[nH]1 642175651 UHLNKWMTVVLTSF-MBTKJCJQSA-N 475.202 5.709 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(Br)c1 726312984 PAOVIGOKBGKGEH-HSZRJFAPSA-N 490.401 5.137 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 726319711 NDZLWWILKDJAAZ-LJQANCHMSA-N 457.477 5.281 30 20 JKED COC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 726321849 OCXXAICGRKYONC-FXAWDEMLSA-N 489.626 5.245 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@H](C)OC)c1 726393726 QWYOMYZQCPVTME-WMZHIEFXSA-N 467.635 5.251 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C#N)c(Cl)c1 726407642 UHKJXUXOSCXLGV-NRFANRHFSA-N 485.009 5.371 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CC2)cc1F 726410477 HEKVODGIWMKQHO-QFIPXVFZSA-N 463.534 5.110 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 726414154 XQNBZAUMRBMPEH-GOSISDBHSA-N 458.370 5.097 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(C3CCCC3)C2=O)c1 726418987 GIGVCTAIIJCQBO-BUOZQURKSA-N 487.647 5.098 30 20 JKED Cc1ccsc1CN(C(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)c(Cl)c1 726444369 NUTDYOBUAZFHPY-UHFFFAOYSA-N 450.391 6.778 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=S)Nc2ccc(OC(C)C)cc2)cs1 727257796 FDWPCWVSRYNVAQ-UHFFFAOYSA-N 467.620 5.244 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)cs1 727267615 LVBJMUOYJKGFRJ-FMIVXFBMSA-N 498.004 6.948 30 20 JKED CC(C)CC(=O)N[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 727627700 PAJNQTMVGZZYMF-UGKGYDQZSA-N 451.979 5.543 30 20 JKED C[C@@H](NC(=O)COC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Cl)c(Cl)c1 728109392 OZZNEIIBFUXVAU-CQSZACIVSA-N 473.312 5.071 30 20 JKED Cc1oc2cc(OS(=O)(=O)c3ccc(F)c(C#N)c3)ccc2c(=O)c1-c1ccccc1Cl 728582265 HPBLCEQXWIRVGT-UHFFFAOYSA-N 469.877 5.200 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 729188869 RPKCJBSBYQFIEG-QGZVFWFLSA-N 487.409 5.114 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)O[C@@H](C)C2 730685568 ACTHXJLMOIBQSD-FRJURHEUSA-N 473.356 5.167 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 730691765 MENBWAJLYXIMIM-VQIMIIECSA-N 495.651 5.223 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1cccnc1 730945754 XLQCNGHLPKFHGU-OYHNWAKOSA-N 496.539 5.090 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 730994928 MKDZEJBSLILROC-UHFFFAOYSA-N 484.425 6.168 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2)cc1 731306830 DJKHJYVSHVRCQO-DEOSSOPVSA-N 489.597 5.008 30 20 JKED CCOc1ccc(N2C(=O)/C(=C/Nc3ccccc3S[C@H](C)CC#N)c3ccccc3C2=O)cc1 731339241 RLMUYWHYGXGKQN-CBTVAOKPSA-N 483.593 6.120 30 20 JKED O=C(O)c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Cl)cc1F 746352523 OTFCFUOFXIIWNL-UHFFFAOYSA-N 465.730 5.016 30 20 JKED C=CCc1cc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cc(OC)c1O 747063167 CEJVFSRTMIUYDV-PDGQHHTCSA-N 464.974 6.552 30 20 JKED N#CC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)CC1 747198084 KYEBTUWFBLIZSZ-UHFFFAOYSA-N 494.016 5.111 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)ccc1Cl 749313386 QYEIHGRQGGBFSC-UHFFFAOYSA-N 498.004 5.663 30 20 JKED CCOc1cc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)O)c2)cc(Br)c1OC(F)F 750908768 GXVHAELGLNZYGW-GUOLPTJISA-N 485.277 5.197 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCc3cc(OC)ccc32)ccc1Cl 791028692 ASASIJWKDGFJFL-UHFFFAOYSA-N 497.016 5.323 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CC(F)(F)F)C1=O 799212697 XFCJPYNRBLWWQK-KRWDZBQOSA-N 485.915 5.180 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)c1 799216105 SXHXIKNVZNZSSW-QGZVFWFLSA-N 469.916 5.479 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1ccc(F)c(Cl)c1 837768575 RYIJIVRTOHQGNK-HNNXBMFYSA-N 477.842 5.141 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2F)c1 838543297 AWHYHSVQDSPMOM-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccccc1 839414798 UUUVUZSDLFJJGI-UHFFFAOYSA-N 496.596 5.279 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914552102 SXOXCLSLBKBFJH-IFMALSPDSA-N 453.995 5.092 30 20 JKED COc1cc(/C=C\C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCc1c(C)noc1C 915180096 LKJUUCZLJIDSCW-UWWFIXMJSA-N 493.563 6.186 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1nnc(-c2ccccc2)n1C 915968740 WLINFSCFHXTASQ-UHFFFAOYSA-N 459.863 5.094 30 20 JKED COc1ccc(N2C(=S)N[C@@H](c3ccc(C#N)cc3)C(C(=O)Nc3ccc(F)cc3)=C2C)cc1 916168712 RWAHDTMWZDAPOW-DEOSSOPVSA-N 472.545 5.054 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)c(OC)c1 916209384 KLKFKABWZUTOSA-OAQYLSRUSA-N 499.976 5.111 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2-c2cccs2)c1 916314216 POGWISNNURMSQK-UHFFFAOYSA-N 488.598 5.047 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(CSC(F)F)o2)cc1 916320624 DGMRYFXYHYBUTC-UHFFFAOYSA-N 452.552 5.374 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847095 LHZFWXQYSSMJPX-QGZVFWFLSA-N 489.626 5.047 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Br)s1 916897094 IMEYGLYZYNWQOX-SFHVURJKSA-N 499.386 5.368 30 20 JKED N#C[C@H](C(=O)CCCOc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1Cl 916932510 WZWYNDGBFKYBQH-CYBMUJFWSA-N 470.150 5.262 30 20 JKED N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 917045852 BIQXTPDKCVBUOR-FPOVZHCZSA-N 459.958 5.167 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(-c2ccc(OCC)cc2)c1=S 917458028 PNANHQFBXJQRMN-UHFFFAOYSA-N 484.629 5.605 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C\C(=O)c1ccc(OCc2nccn2C)cc1 917517417 FGNYFDYPGQMDNQ-SEYXRHQNSA-N 491.389 5.460 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccsc2)C1=O)Nc1ccccc1 917675964 JOMUBMNZYQDXSL-IBGZPJMESA-N 487.553 5.510 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 918034232 KWWFQIYUKJDJDF-NFBKMPQASA-N 473.964 5.273 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)N(c2ccccc2)C(=S)N[C@H]1c1ccc(S(C)(=O)=O)cc1 918168626 XIRJEFXHOHIOAC-QHCPKHFHSA-N 497.041 5.180 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 919251955 CFOWZRTVLCPDCU-UHFFFAOYSA-N 492.190 5.142 30 20 JKED COc1ccc(NC(=O)c2c(NC(=O)c3ccccc3OCC#N)sc3c2CCCC3)cc1 919977763 YPAUHUVRAPMKCK-UHFFFAOYSA-N 461.543 5.042 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)cc1 920142526 KXKQCQMURCFDNF-SFHVURJKSA-N 463.444 5.376 30 20 JKED N#C[C@@H](C(=O)CSc1nncn1-c1cccc(Cl)c1)c1nc(-c2c(F)cccc2F)cs1 920804053 JOFZPNVBNVWODZ-AWEZNQCLSA-N 487.944 5.291 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1 921011430 VPGPAPCWRCNRIB-OVCLIPMQSA-N 451.526 5.241 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)COCC(F)(F)F)cc1 921255371 ZYJZWALQZVDJSO-DNVCBOLYSA-N 497.514 5.062 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc2nc(O)n(CC(C)(C)C)c12 1264467113 UYMANWWJSPENII-UHFFFAOYSA-N 455.518 5.408 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(Br)cccc4c3)CCO2)C1 1779240051 FGDALMWAQAFOLM-SANMLTNESA-N 499.449 5.038 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)c1 1785788070 JNVCVVCUKIZSBC-UHFFFAOYSA-N 465.340 5.322 30 20 JKED Cc1nc2ccccn2c1C(=O)NC1(c2ccc(NC(=O)C#Cc3ccc(Cl)cc3)cc2)CCC1 1786042562 OUWALYRQOQBFMH-UHFFFAOYSA-N 482.971 5.096 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951693 RLAFCQGZUVBSRJ-QMCNGJBUSA-N 473.617 5.090 30 20 JKED Cc1ccn2ncc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@H](C)C#N)c5)CCC4)cc3)c2c1 1788503320 HBESYNYJHJUAFO-HXUWFJFHSA-N 477.568 5.331 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnnc5ccccc45)cc3)CCC2)c1 1788960626 ZYTFWECOMMOJDZ-LJQANCHMSA-N 475.552 5.318 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccn5ccnc45)cc3)CCC2)cc1C#N 1789313256 MHJYKBJPQVPTQJ-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)c3ccc(OC)cc3)CCC2)cc1 1789451437 ITYIERYBRIVDMS-VWLOTQADSA-N 474.601 5.561 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(N(C)C)cc4)CCC3)cc2)c1 1790077026 WNZFUYWDQYVTSA-UHFFFAOYSA-N 496.611 5.013 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)n(C(F)F)n1 1790135471 JOYNRHUKGCYILA-UHFFFAOYSA-N 486.639 5.385 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(Br)c3F)CCC2)cc1 1790567213 JCQJELXCTBXVJF-HNNXBMFYSA-N 490.373 5.137 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(F)cc(OC)c3)CCC2)cc1)C(F)(F)F 1791305591 UXBBMERNKYMOQA-RUDMXATFSA-N 462.443 5.100 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H](C)CCCN3C(=O)OCc3ccccc3)CCC2)cc1 1791587891 RZZVSQNYIUQDGX-RLWLMLJZSA-N 489.616 5.134 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(Br)cc4OC)cc3)CCC2)C1 1791696285 HILOYNGABLIWRO-UHFFFAOYSA-N 483.406 5.101 30 20 JKED Cc1cnc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)s1 1792168318 MGNZSDTUUOZAIA-UHFFFAOYSA-N 474.586 5.172 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(F)c(F)c1)C2 1798331263 DKFXEOVKINVEFJ-WOZUAGRISA-N 465.544 5.047 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(CC#N)cc3)C4)ccc21 1799316961 FZKOGAFPMDOTRX-QEIWAGNOSA-N 490.607 5.446 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cc(OC)cc2C)[C@H]1c1cccnc1 1802501143 TVOYONAXTDLYED-DHLKQENFSA-N 463.622 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1802746467 BFASRUMUEYKIMA-MZKRTTBSSA-N 487.522 5.068 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1803079778 PJXLYKVOYYCRGF-MFKKHJOZSA-N 468.601 5.051 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2CCCC3)[C@@H]1c1cccnc1 1803091383 GFFJIAQNJOWZLE-RPLLCQBOSA-N 457.618 5.048 30 20 JKED O=C(CCC1CCC1)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1803378216 UGNJDXOCGTZJSA-BVRKHOPBSA-N 491.635 5.381 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1803605660 GHNOAKLPZLEJBC-BEVDRBHNSA-N 499.986 5.028 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)[nH]c2c(Cl)cccc12 1803679880 ZWVWPHHEYPZFSI-HUJKARHJSA-N 474.992 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCNC(=O)OC(C)(C)C 1804020665 CFDQIJAHSBUVAL-KOUNCHBCSA-N 477.690 5.092 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)cc1 1805152467 UEOANUMLOURGDH-UHFFFAOYSA-N 482.741 5.046 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)Cc4ccc5ccccc5c4)CC3)C2)c1 1805322893 ACZWNSZPOAMCDA-UHFFFAOYSA-N 479.624 5.118 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4nc(C)sc34)CC2)C1 1805454826 CDELMNAIXHEJLQ-UHFFFAOYSA-N 451.636 5.218 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)C1 1805456543 AXEKQNMLEABSPA-UHFFFAOYSA-N 454.014 5.435 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)C1 1806063015 JIMQTURUCCZKBU-XMMPIXPASA-N 468.638 5.292 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808490609 VVLVJACNZFLQKP-CJFMBICVSA-N 496.032 5.234 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810169246 XRDOZTUXVCIXLR-DBLMEDDNSA-N 497.561 5.588 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810171551 GKRRYGBOCQTEBF-YVSOFHLNSA-N 478.036 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1810492283 MFIZJZNBSAAZRR-LSYYVWMOSA-N 484.644 5.261 30 20 JKED CCCCCc1cccc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)c1 1811792811 MGYUIFPEBGGSHG-JDXGNMNLSA-N 494.639 5.248 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1811823960 LWIUDYOHVKLDMF-VIZSFHNOSA-N 472.416 5.476 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1811946122 CEUHBEMKYJASAL-PXDATVDWSA-N 481.612 5.320 30 20 JKED CC#C[C@@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1)c1ccc(O)cc1 1812700899 RJHLAZJVEIYDPG-BWMVHXPSSA-N 489.660 5.207 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1812955486 ARBKGJNYLLCSBE-OFSOJUDTSA-N 491.676 5.046 30 20 JKED C[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CC1 1813550176 UXVHUOHXFZNAJV-PRAZENRCSA-N 498.549 5.118 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n[nH]1 1814714708 GRNALQDGWSEYGL-MQSCRBSSSA-N 450.558 5.113 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncccc2-c2ccccc2)n[nH]1 1818310497 PPUCHIVDSPIFMY-QPPBQGQZSA-N 469.589 5.546 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)[nH]n1 1819309545 WIHFBXZHRNUTRL-CVDCTZTESA-N 468.573 5.410 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2scnc2C2CC2)[nH]n1)c1ccccc1 1819515990 FCKNOQKSUJWMDJ-IFMALSPDSA-N 487.629 5.247 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820222612 AJJOVZYXUFKOEU-HXUWFJFHSA-N 465.916 5.002 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1 1820485452 WEBFCDSHYGEJTP-HJSOSKBTSA-N 471.586 5.202 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)cc1F 1820497657 SXIHITAQIPDLRW-HSZRJFAPSA-N 489.551 5.136 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)Oc3ccc4ccccc4c3)n[nH]2)C1 1820711971 JBYCNPACYNLBAT-XMMPIXPASA-N 472.589 5.379 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1 1821180517 GWTPBESYLHPACX-AREMUKBSSA-N 477.568 5.178 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cnccc34)[nH]n2)c(Cl)c1 1821277811 JPKIDIJAZIWSAS-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)n[nH]2)C1 1821287372 WYCBBNHHCZRMMQ-KRWDZBQOSA-N 451.329 5.128 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821385047 NYZWKTSEFCFUFZ-QVKFZJNVSA-N 451.958 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCc4ccccc4C3)n[nH]2)c1 1822126905 FVGYFFPHZPBHQC-GVCORALISA-N 481.600 5.148 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(OCc4ccccc4)cc23)n[nH]1 1822274995 NVEZWWCZEXLMGO-SANMLTNESA-N 497.599 5.281 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)ccc(Cl)c3F)n[nH]2)c1 1823273771 CGHJKPVQTLBYPR-VBKZILBWSA-N 497.933 5.588 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)c[nH]c2c1 1823565331 GQJABUMTTHZVKE-QSWPLXARSA-N 492.583 5.285 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823677463 QGZXQPSKMYIURZ-AREMUKBSSA-N 474.004 5.106 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3cccc(F)c3)CC2)C1 1823700491 VWIOCFKATZYRGE-VWLOTQADSA-N 461.581 5.087 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1823752108 LWQDZCAZNFCMSP-HXUWFJFHSA-N 468.560 5.833 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1823752434 SGMBXBDTOCLDSI-YKSBVNFPSA-N 456.593 5.516 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)C#CC4CC4)CC3)c2c1 1824409816 FNKBTGNRXMFMOE-VWLOTQADSA-N 490.644 5.287 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)CC1 1824424395 RZRDKPMBPKNXIN-FTJBHMTQSA-N 466.666 5.303 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@H](S)C(C)C)CC3)cc2n1 1824538678 RUIBIIPSGPYVKT-BJKOFHAPSA-N 488.097 5.384 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)CC1)c1ccccc1 1826442829 JVJCHPJLRXTOJW-VSGBNLITSA-N 490.619 5.021 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827682618 HVRYJAPJDQTRMW-GZNDIYCSSA-N 480.630 5.112 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3occc3Br)CC2)c1 1827770052 TWBBZYKMXPHFQK-JTSKRJEESA-N 498.421 5.216 30 20 JKED CN(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c2ccccc12 1828168656 GPXWUCLJOJTJSU-NDEPHWFRSA-N 494.639 5.325 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2)CC1 1828904106 PBDMSTCEUOCSAM-RUZDIDTESA-N 470.705 5.039 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828979500 WBFIJTRCVVAOEA-UIBDWSJXSA-N 477.690 5.132 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccnc2C)CC1)c1ccccc1 1829030342 NMQINVBXPBFECF-URLMMPGGSA-N 485.672 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 1829066254 YGLWWZYWYPMXGV-FQEVSTJZSA-N 465.560 5.326 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2coc([Si](C)(C)C)c2)CC1 1829069033 GUAUUZVJCYLPAL-JOCHJYFZSA-N 458.719 5.051 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830359525 RPXUBHVEMOBUBP-VWLOTQADSA-N 481.999 5.135 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471716 KYAYITDORYQENO-CVDCTZTESA-N 461.046 5.573 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4sccc4c3O)CC2)c1 1830956455 ROTHASDIPCKENC-HSZRJFAPSA-N 473.598 5.026 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2Br)CC1 1831374868 UUOKQKYCMMTGQM-HNAYVOBHSA-N 483.397 5.173 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2N2CCCCC2)CC1 1831447062 NKZLDWJSKMEBKE-HSZRJFAPSA-N 473.608 5.122 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1)C(F)(F)F 1831453036 JMHOJGNZKPLNMH-XMMPIXPASA-N 487.566 5.446 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1831503726 OPHCDAQBPUCXDB-FIPFOOKPSA-N 471.645 5.304 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1)c1ccc(O)cc1 1831926358 RGQVMJNOYCZQIZ-NAKRPHOHSA-N 498.623 5.569 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(C)snc3s2)CC1 1832028614 YTJKSPKWQSITDF-HXUWFJFHSA-N 457.665 5.093 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1832629650 UWGWMGSLCOATLR-CUNXSJBXSA-N 487.644 5.107 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)CC2)cc1C#N 1832900368 NBBKOBZKVXYBPZ-AJTFRIOCSA-N 487.644 5.382 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Cl)cc1Cl)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F 10836751 JIVHIPNLDLCVIG-UHFFFAOYSA-O 492.398 6.489 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c1C 11268839 KSLMEKUQMBGGQG-UHFFFAOYSA-O 496.656 6.072 30 20 JKED O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)c1ccc(Oc2ccc(F)cc2)cc1 16182498 AQJUSYMSZSWVNV-UHFFFAOYSA-N 481.549 5.121 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nc2sc3c(c2c1=O)CCC3 17652967 ROFLYFJDMSTXSC-AWEZNQCLSA-N 450.589 5.344 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 23347824 RSPHMRKBKIHMMS-PZJWPPBQSA-N 495.674 5.230 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793632 IEDXFAIUBMBPTA-UHFFFAOYSA-O 483.057 6.123 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)c2)c1 31776687 VYEMDLGFLPFWDI-UHFFFAOYSA-N 459.958 6.095 30 20 JKED CC(=O)Nc1cccc(Nc2nnc(SCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)s2)c1 46587785 UXVAMOYIOLQKDJ-BKUYFWCQSA-N 479.631 5.213 30 20 JKED COc1ccc([C@H]2[C@H](C(=O)Nc3sc(C)c(C)c3C#N)CCC(=O)N2c2ccc(OC)cc2)cc1 104683558 VVEUBIWZQVUIFY-RDGATRHJSA-N 489.597 5.377 30 20 JKED C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1cccc(OCc2ccccn2)c1 108826730 PTDVDIQYBABPPG-NRFANRHFSA-N 463.537 5.602 30 20 JKED N#C[C@@H](COC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Cc1ccc(F)cc1 195697000 ZYSMVQJFRMNJJV-HNNXBMFYSA-N 469.866 5.035 30 20 JKED C=CCN(C(=O)CCSc1ccc(Cl)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491075362 LJGBJFYAEGSZOZ-UHFFFAOYSA-N 493.075 5.568 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1F 501599366 DHXQHGMVYQXKGE-ZDUSSCGKSA-N 464.925 5.094 30 20 JKED C[C@@H](Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 501968184 KFTYNMHSWIAZBZ-LJQANCHMSA-N 498.652 5.460 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)c2)cc1 509554972 IFTXNFXUMTWXOH-RUZDIDTESA-N 461.949 5.590 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1Cl 510022694 GCUWZLJLKFORLR-OZXSUGGESA-N 452.945 6.302 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 510729590 JZQZDOXNDWEDDA-AREMUKBSSA-N 497.574 5.553 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)nnc1-c1ccc(Cl)cc1 511748776 UBCNPDGYJYZKDE-HXUWFJFHSA-N 499.036 5.382 30 20 JKED N#Cc1c(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)sc2c1-c1ccccc1CC2 511784827 HZNAJSWWFSOKOF-UHFFFAOYSA-N 461.440 5.312 30 20 JKED COc1ccc([C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccc(F)cc2)cc1 512121257 HQGLGEHEMUYWEM-AREMUKBSSA-N 456.473 5.397 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)n2)cc1 512495029 VBXWURCZVMASDP-FQEVSTJZSA-N 460.534 5.757 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccc(C(F)(F)F)cn1 513191566 PRSAPGPYTLOLPA-FQEVSTJZSA-N 487.441 5.643 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(OCCCC#N)c2)cc1 515618577 UHKWKEZNBMQOBB-UHFFFAOYSA-N 459.571 5.661 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1 516841482 QBVXHUGCXLVHQS-HSZRJFAPSA-N 486.597 5.403 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 517507275 MPMSIIRSISIWSR-KRWDZBQOSA-N 481.021 5.676 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 517795717 MEVUTSOQDQYJOB-HXUWFJFHSA-N 489.984 5.998 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1cc(C)nc(-c2cccnc2)n1 520025263 KCBUNRKKTVIOHW-UHFFFAOYSA-N 450.955 5.008 30 20 JKED C=CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 520194925 LOYQNHWHSRWRTA-NRFANRHFSA-N 493.571 5.088 30 20 JKED O=C(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)c1ccc(C(F)(F)F)nc1 520317018 JIPYRPJOQDSNPM-UHFFFAOYSA-N 481.349 5.679 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)CCc1c(C)nn(CCC#N)c1C 520446519 KZKBPVMERQFPTO-UHFFFAOYSA-N 497.521 5.564 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 520829563 DUOJDQFRBXVNEN-IAGOWNOFSA-N 473.545 5.031 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 522534772 FKJZJOXCQRXXDC-UHFFFAOYSA-N 455.495 5.530 30 20 JKED CCC[C@H](C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 523280432 VZLPOBGISMOGHS-OAHLLOKOSA-N 460.390 5.142 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1 523958275 VJDQEUZCRURBTK-UHFFFAOYSA-N 467.481 5.243 30 20 JKED CCc1c(C)sc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1C#N 524330884 JDXFMFGAGQHVLQ-UHFFFAOYSA-N 482.403 5.687 30 20 JKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)c1cn(CCC#N)c2ccccc12 552146574 OJTJRQIYJXOKOS-UHFFFAOYSA-N 471.388 5.395 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 561506855 BRBQCYDOTHKTEY-UHFFFAOYSA-N 464.491 5.422 30 20 JKED C=CCn1c(SC[C@H](O)COCc2cccs2)nc2sc(-c3ccccc3)cc2c1=O 588380524 JAQLQHHIFTVKON-QGZVFWFLSA-N 470.641 5.042 30 20 JKED CCC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 588726228 HFAXVIISBRHTKS-ZNMIVQPWSA-N 464.372 6.319 30 20 JKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590979329 MSWXWWKKSFFPBI-ZSHCYNCHSA-N 478.399 6.535 30 20 JKED CCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(C#N)c1C 591711865 FTFKIHYHZLWPRI-UHFFFAOYSA-N 479.505 5.428 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)s2)cc1 603649711 FXFNUIUFCRVIRP-UHFFFAOYSA-N 466.010 5.045 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3sccc3Br)s2)c(C(F)(F)F)c1 603756844 COOBWUFDYKFZTJ-UHFFFAOYSA-N 472.311 5.701 30 20 JKED Cc1sc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c(C#N)c1C 603806743 FIBMTMOXFBZOTD-UHFFFAOYSA-N 454.349 5.504 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2Cl)cc1 604089845 ODKAYXQASYGHBH-HSZRJFAPSA-N 451.885 5.748 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 608841282 NIEQTFJNYWCWBW-NRFANRHFSA-N 497.530 6.260 30 20 JKED Cn1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnc1-c1cccs1 608847672 WSNYTCFPLKKFKB-GOSISDBHSA-N 480.018 5.583 30 20 JKED N#CCCCOc1cccnc1NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 608882858 GUWAATULLUUVBU-KNTRCKAVSA-N 499.552 5.851 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 609028394 YXLHFGVTRKYFCE-NRFANRHFSA-N 471.538 5.476 30 20 JKED COc1cc(CCC2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)cc(OC)c1 609069196 HDKJPOFWFFWNQI-UHFFFAOYSA-N 474.557 5.232 30 20 JKED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)c(F)c1 609256198 XNQTTZRUSVIEAE-UHFFFAOYSA-N 492.869 5.085 30 20 JKED COc1ccc2c(C)cc3nnc(SCC(=O)Nc4ccccc4S[C@@H](C)CC#N)n3c2c1 609369820 LXXSUIIXRWNTNN-INIZCTEOSA-N 477.615 5.325 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCc1nc(-c2cccs2)no1 609381752 VTUAORBGBANCBY-UHFFFAOYSA-N 466.510 5.784 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 609434863 VQXZOCMQGVCSOT-HNNXBMFYSA-N 477.417 5.378 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc12 613407260 NGOKAYPFQDPMED-NSHDSACASA-N 460.740 5.692 30 20 JKED O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618463911 BNVNYEKFRHBSDL-UWVGGRQHSA-N 497.301 5.476 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485513 PLMCSIZTKDYBDF-OAHLLOKOSA-N 461.328 5.043 30 20 JKED O=C(c1cccc(OC(F)F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516694 NAHSLEFCOHYVHZ-INIZCTEOSA-N 469.328 5.539 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(OC)cc3)n2)nc2sc3c(c2c1=O)CCC3 636304414 IJCWKVOLOKRLKI-UHFFFAOYSA-N 451.573 5.089 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 642486594 AITSHVCMLJGXLF-UHFFFAOYSA-N 498.004 5.216 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642956119 NLUJUSKBHNTCAW-ZYUZMQFOSA-N 496.336 6.105 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccccc1OC 643093931 GENYLPPJKBCXRT-HNNXBMFYSA-N 451.527 5.491 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(OC)cc1 685006908 HWDSMLKCBGMMKL-AWEZNQCLSA-N 462.497 5.278 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCC2CCCC2)cn1 726116789 KZTHMIUJVKNWJN-QFIPXVFZSA-N 467.639 5.060 30 20 JKED O=C(Nc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 726152960 UXZIXENKJLIRRS-LZCJLJQNSA-N 488.403 5.754 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1Cl 726406270 IZULQGCAGVHRGY-FQEVSTJZSA-N 481.002 5.434 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\[C@H](C)c1cccs1 726421184 LVAJXHKFUVLPAZ-CRAOPFCGSA-N 473.664 5.181 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CC1)c1cccs1 726421779 PNCWQTNRPUXVNR-SZSMCSAESA-N 478.437 5.063 30 20 JKED CCOC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)N=C1C 726570482 AWBXKWQPTWPLKL-UHFFFAOYSA-O 496.012 5.099 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c1 727330754 UNDHCFPRVUCRAY-UHFFFAOYSA-N 470.978 5.372 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 728149122 HMJDMDTXZCREHL-FQEVSTJZSA-N 480.446 5.067 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3sc(N4CCCC4)nc3Cl)cc2F)c1 728183655 ZENDZKZPHGCIJO-UHFFFAOYSA-N 456.930 5.239 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc2ccccc12 728421376 UEEXJXFSCRQRMF-UUOWRZLLSA-N 486.597 5.097 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C#N)c(Cl)c1 728779514 JHHUGCGOEAQNLH-HXUWFJFHSA-N 483.956 5.005 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 729631031 DGKGBCXTZSFTNV-JWQCQUIFSA-N 498.583 5.654 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)cc1 730491128 NYWZTWVTOREJHR-SFHVURJKSA-N 497.564 5.137 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730718442 ZIMRONFAMIOPEV-NFBKMPQASA-N 492.004 5.242 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCC2 731060262 DSXRKPZMQNSWSD-HNNXBMFYSA-N 499.658 5.269 30 20 JKED COc1ccc(C2(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)CCCC2)cc1 731077343 HDRVEOMOTGDKHF-GOSISDBHSA-N 452.576 5.083 30 20 JKED Cc1ccc(C2=CCN(C(=O)C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2)cc1 731127006 ZAGPOELYPTTYCZ-UHFFFAOYSA-N 473.520 5.274 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c1C 731308662 PGRAWCVYBIDRKH-FDDCHVKYSA-N 474.586 5.126 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cc(C(=O)O)cc(Cl)c2Cl)cc1 731339025 MDPMTCGHGCWHNQ-UHFFFAOYSA-N 491.352 5.137 30 20 JKED CN(C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1)C(=O)OC(C)(C)C 731399863 HFXGZEORBCZXAQ-FQEVSTJZSA-N 464.566 5.461 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc4cccnc34)C2=O)c1 744996774 GEOLUQVKMMERBS-VWLOTQADSA-N 494.620 6.012 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CCCCOCc2ccccc2)C1=O 747604151 YMSVNTAPTSDKPP-HXUWFJFHSA-N 494.444 5.058 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)c(=O)oc2c1 750842526 YJHLBOWHANWOCV-UHFFFAOYSA-N 484.508 5.354 30 20 JKED Fc1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)cs2)cc1 767034352 UQRRLNRGMIFCPJ-UHFFFAOYSA-N 450.351 5.685 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 818265447 OMLWHWGYADZPJU-UHFFFAOYSA-N 492.504 5.653 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1cccnc1 837285518 OQIIIONJTJYYLT-XMSQKQJNSA-N 476.577 5.559 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H](C)c3cccnc3)C2=O)c1 837301920 LKKPDJHYJCOPOP-JPYJTQIMSA-N 476.577 5.559 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 837344421 CPYGKUNRPGXBHW-JPYJTQIMSA-N 474.586 5.120 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c1 837783514 TWHSXSSPDHGQQJ-NRFANRHFSA-N 499.589 5.065 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccs2)cc1 838074628 IFPRXZLXOCHBFL-FQEVSTJZSA-N 487.553 5.195 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1ccc(C(CC)CC)cc1 839408399 MVPMPMLREDKKJA-UHFFFAOYSA-O 450.455 6.561 30 20 JKED CC(=O)Nc1cccc(N=c2scc(-c3ccc(C#N)cc3)n2Cc2ccc(C(=O)N(C)C)cc2)c1 913118816 CTWLYDVIHQLYJE-UHFFFAOYSA-N 495.608 5.029 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)cc1 913364455 ANTBKRYVHIEWNH-HXUWFJFHSA-N 458.514 5.258 30 20 JKED N#C[C@H](C(=O)CSc1nc2cc(C(F)(F)F)ccc2s1)c1nc(-c2ccccc2)cs1 914530024 YGHLQZGHCHLUEX-CQSZACIVSA-N 475.542 6.407 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 915352164 FZAIINGWVZVHDM-HSZRJFAPSA-N 453.464 5.743 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N2CCCCC2)cc1 915353740 WRFFTMHDTIGQFI-IZLXSDGUSA-N 468.601 5.699 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)COCC4CC4)c3C#N)C(C)(C)C2)o1 915541032 VLSYDXUCAPIBOI-VQHVLOKHSA-N 480.586 5.208 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 915719959 JARFQSPLRBIVTD-LJAQVGFWSA-N 473.576 5.619 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)/C=C\c3cnc4ccccc4n3)s2)c(C(F)(F)F)c1 916055194 HAPQLYBSXFIAOU-FPLPWBNLSA-N 465.460 5.219 30 20 JKED COc1cccc(-c2nc(/C=C/C(=O)c3ccc(OCC(=O)Nc4ccccc4)cc3)cs2)c1 916127917 OAJVDVURLUKEPY-NTCAYCPXSA-N 470.550 5.732 30 20 JKED O=C(O)C(=O)/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2ccccc2n1 916138234 ACOAHXKNXWLSSK-HKWRFOASSA-N 456.885 5.335 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 916207353 WOYCHNRGGAQAFD-QFIPXVFZSA-N 463.559 5.066 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 916217184 HJARXFVCAQBYPR-IBGZPJMESA-N 497.514 5.231 30 20 JKED CCCOc1ccc(Oc2ncccc2CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 916456249 VZCBIOVCYXYTBL-UHFFFAOYSA-N 456.502 5.157 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)c2)cc1 916686461 LVILFFNDEDPSSC-UHFFFAOYSA-N 467.525 5.865 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 916695137 XZKVFUBPUAXUAL-WQTVWLHISA-N 483.421 5.031 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)cc1 916720501 MIWJEZHAAYQALE-HSZRJFAPSA-N 475.976 6.060 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)n1 916909968 RLYRYKAHCPBTBH-QFIPXVFZSA-N 499.617 6.497 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)o2)cc1 917045223 WVUOFHUEMKETBW-CQSZACIVSA-N 490.488 5.342 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1nc2ccccc2o1 917510230 YZVPQAZRHGYQEC-IBGZPJMESA-N 474.314 5.262 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccc(C)s3)C2=O)cc1 917663360 AXCPWEDVBZCOBA-JOCHJYFZSA-N 495.601 5.559 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCCC1 917704963 RMNZHOQEPAVSAE-HXUWFJFHSA-N 497.964 5.023 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c2ccccc21 919193509 TWBQQWGAVLUEBE-UHFFFAOYSA-N 469.453 5.295 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1cccc(Cl)c1Cl 919514906 XTPXQTORNFQEDM-ZDUSSCGKSA-N 459.285 5.221 30 20 JKED C=CCN(C(=O)Nc1ccc(NC(=O)c2ccccc2I)c(C)c1)C(C)C 919775446 UARWMJOAMKAEAN-UHFFFAOYSA-N 477.346 5.280 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1 919908516 JDOJAWDKKABTEM-CZSVHLHGSA-N 476.602 5.022 30 20 JKED COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 920109363 QDOSUYJHTAFYID-GBXCKJPGSA-N 454.526 5.645 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccc(CC(C)C)cc1)c1cccs1 920185241 DZWGSXQZSQBYCM-DEOSSOPVSA-N 461.587 5.061 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 920341636 CFHQDIVZIXDRTR-UXHICEINSA-N 470.356 5.210 30 20 JKED Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(Oc2ccccc2)cc1 920486440 KDAIJRDDTBWNQU-UHFFFAOYSA-O 480.569 5.975 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805223 BABHRUOSIYTUCT-LPHOPBHVSA-N 485.581 5.125 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1 1778868514 LIRLRCVYDDVWCK-WEQGDAHASA-N 458.687 5.099 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4occc4NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785808111 PUAMTIBIWNLVSG-UHFFFAOYSA-N 465.550 5.341 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)COc3ccc(Cl)c(Cl)c3)CCC2)cc1 1786677217 JLNAYZHDQRPNBD-UHFFFAOYSA-N 479.429 5.426 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786697126 BEVPVLMEMANYIU-IBGZPJMESA-N 470.997 5.224 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)F)c4)cc3)CCC2)c1 1787018465 OCIPVVOHLGZKSY-UHFFFAOYSA-N 460.484 5.261 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)ccc1F 1787075859 NEWDBNVREJTUAI-UHFFFAOYSA-N 465.645 5.328 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4)cc3)CCC2)c1 1787780743 OUHLQTGSSPSPIZ-MDWZMJQESA-N 451.526 5.028 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)[C@H](C3CCOCC3)CN4)cc2)CCC1 1787948451 QVHSJUVUONYQEJ-SANMLTNESA-N 485.628 5.174 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1788579317 VPJPVQFNQUWPIL-GOTSBHOMSA-N 481.637 5.192 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)cc2)CCC1 1788685034 LYZRXIYAIMJCGJ-SFHVURJKSA-N 458.562 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)C[C@@H]21 1788734915 LSNGQYBOMSAQDA-HARLFGEKSA-N 491.657 5.035 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ncsc45)cc3)CCC2)cc1 1789344449 QNTUADVGOMWPHR-UHFFFAOYSA-N 466.566 5.424 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454121 QXMCFADBFCXVAQ-AJTFRIOCSA-N 499.627 5.238 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CNc4ccccc4O3)cc2)CCC1 1789470177 PRGUXBDTFYVPIT-HSZRJFAPSA-N 459.590 5.152 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CNc4ccccc4O3)cc2)CCC1 1789472818 SBRPBZXDGZGYBE-GOTSBHOMSA-N 459.590 5.152 30 20 JKED CCc1ncsc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1790197326 YPTBMLWOQURCGH-UHFFFAOYSA-N 467.711 5.504 30 20 JKED CC(=O)Nc1ccc(Cl)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)c1 1790290739 BOCDDZFYIXYFJC-UHFFFAOYSA-N 486.959 5.232 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)cc2)CCC1 1790772340 JTZLSPSXGVFXJH-UHFFFAOYSA-N 479.552 5.334 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4[nH]ncc34)CCC2)cc1 1791249974 FJPXNXBOPMCSFN-HNNXBMFYSA-N 481.394 5.285 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(Br)cc4n3)CCC2)cc1 1791250233 LFFGFVZAQWATKF-MRXNPFEDSA-N 481.394 5.057 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)CCC2)cc1)C(F)(F)F 1791304904 UIALRPCRXZRIKK-UHFFFAOYSA-N 496.411 5.219 30 20 JKED COc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)c1 1791387722 GBOSXORIKGGMTI-OVCLIPMQSA-N 451.526 5.028 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791730245 URTLYEORMGXMIJ-XUZZJYLKSA-N 495.664 5.398 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)c1 1792122304 JFIFVKNKDBTXQA-KRWDZBQOSA-N 492.501 5.789 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nccn45)CCC3)cc2)cc1C#N 1792168706 FMJSACPRBGWEOW-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ncc(C)s3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204153 ODKCGPMLRVOWCT-HXUWFJFHSA-N 498.649 5.059 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](c2ccccc2)C(C)C)cc1C#N 1793209311 LQYGERSNUNUNPI-SFIUMABJSA-N 473.617 5.037 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(CCCCC)cc1)C2 1793572817 LSYLGAPJRJYXEC-BOXNIABESA-N 452.639 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(F)F)c(OC(F)F)c1 1799214023 RVLOCSOPCUBDNU-BJWYYQGGSA-N 486.506 5.134 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2)C3)c1 1800781596 DCMRYDFFFHGICD-NUNAXRQHSA-N 480.406 5.010 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(Cc4cccc(F)c4)c3)[C@@H]2c2cccnc2)C1 1802417665 KASZTHIAXJTEOB-LBNVMWSVSA-N 483.587 5.097 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1802500646 NNVUDJCNGWNAHF-VPUSJEBWSA-N 488.676 5.384 30 20 JKED N#Cc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 1802954281 NMMNLQIEGAFCMN-YZNIXAGQSA-N 488.591 5.059 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1803087407 ATBLMMHKQMRALH-XLIONFOSSA-N 478.445 5.538 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1803090951 JUCZPWAMOBOKLT-RDPSFJRHSA-N 475.614 5.090 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1)c1ccc(Cl)cc1 1803685195 XLQWTRNXNTYHLV-ABNLYDASSA-N 478.036 5.659 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC3(CCCN(C(=O)C4(c5ccccc5)CCCC4)C3)CC2)cc1 1805233314 CFNDIOPWQHXKQG-UHFFFAOYSA-N 483.656 5.234 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4occc4n3-c3ccccc3)CC2)C1 1805456424 WJWMMZRVEIMNTF-UHFFFAOYSA-N 485.628 5.837 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1806027132 TWKYJQZSGFWPQB-QHCPKHFHSA-N 485.628 5.042 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1809850825 XOFIUFJIVUEDJQ-OPJGWUQDSA-N 477.605 5.523 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC4(CCN(C(=O)C5(C#N)CCC5)CC4)C3)c2c1 1810304073 DZQQTZGQIOBOOU-UHFFFAOYSA-N 491.632 5.179 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(F)c2)[C@H]1c1cccnc1)c1ccccc1 1810444086 OOFDPRHKDHPTIT-NSVAZKTRSA-N 483.587 5.046 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1810446984 IQQBNIFAXNFBRJ-MYSYHGOYSA-N 491.635 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1810502701 KQOKUHPLTDPKPA-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1811255360 ZZRUEKDLPNDUOQ-YKSBVNFPSA-N 484.040 5.446 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1811287793 YAKZELNOWPOUND-LVXARBLLSA-N 484.625 5.062 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811419606 IFUKPOQBPHUVAQ-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812514485 UMIZGPXDKBUUIN-RCXJIHSJSA-N 492.063 5.631 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cncc2Cl)n[nH]1 1814364708 UZGDJSMJQBANJP-SFHVURJKSA-N 462.381 5.186 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1814743258 HYJYQGYJAYBCHY-HSZRJFAPSA-N 489.938 5.041 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)[nH]n1 1814827705 VQCJRIZYCDLGIE-GOSISDBHSA-N 464.488 5.404 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(F)cc2F)n[nH]1 1815520826 YDSUTMLAYIHGND-CIRHMYPESA-N 454.521 5.162 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(-c3ccccc3)n2)n[nH]1 1818362937 QFUFAQQCURUVHV-SFHVURJKSA-N 471.533 5.051 30 20 JKED Cc1nc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)c2s1 1818535011 SRNBJOKMRSEXEH-QHCPKHFHSA-N 498.612 5.138 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4c(Cl)cccc4s3)sc2C1 1818574459 GPTAYLLTQDAPGU-STQMWFEESA-N 491.038 5.038 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606812 IRFPCTSTRTWHRO-QGZVFWFLSA-N 454.983 5.387 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)n[nH]1 1818817111 ZYGSDKSSAMNFNW-CMSSDFPGSA-N 487.604 5.374 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4scnc4c3)n[nH]2)c(Cl)c1 1819150400 KNJMBJYMHWLUEL-FQEVSTJZSA-N 490.976 5.164 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1819386749 GYLPHDDQSAJMKR-QHCPKHFHSA-N 493.659 5.387 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccoc2Cl)n[nH]1)c1ccccc1 1820392689 IPHROVURBJLGQK-RXVVDRJESA-N 464.953 5.159 30 20 JKED CCSc1cccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1820399953 NTVZDSHWGPIRHZ-DYESRHJHSA-N 488.617 5.163 30 20 JKED Cc1cc(F)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1821064352 ZXDFAJLEFMALLD-GAJHUEQPSA-N 459.525 5.104 30 20 JKED Cc1ncsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n[nH]1 1821150979 AYIXQGUEFOTGDB-XMMPIXPASA-N 495.608 5.194 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)[nH]n2)ccc1Br 1821242715 OPLZMMNVNODFPJ-OGECGYFKSA-N 496.409 5.096 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2O)n[nH]1)c1ccccc1 1821501831 BNWPDQREPPHEBV-YKSBVNFPSA-N 496.567 5.365 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccc(Br)cc3n2)[nH]n1 1821921204 OFVOBJNLJDWGPH-QVKFZJNVSA-N 496.409 5.239 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1821987562 DPIFZNBAXCOQAK-OAHLLOKOSA-N 474.405 5.085 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[nH]n1 1822384165 PTKPRGKYGZVURQ-GNOCETLISA-N 484.572 5.232 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)c1 1823218762 WJWMBVSZRNYWKK-OPAMFIHVSA-N 495.505 5.675 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1)NC(=O)OC(C)(C)C 1823348454 XAIRVWGMTJVYKG-XYLLXSKMSA-N 499.656 5.008 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)c1 1823887596 LWIYKUGHPKKIHJ-QFIPXVFZSA-N 488.470 5.356 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823971711 LGNYLAWOOCPMAF-GBXCKJPGSA-N 461.046 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 1824142268 KQKARPPFHIRHJY-HHHXNRCGSA-N 475.633 5.245 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1825434557 ODDHSCBJKLWYOM-LVXARBLLSA-N 486.660 5.553 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)CC2CC2)CC1 1826605585 PBJYZBYHCIWAAE-MUUNZHRXSA-N 454.614 5.120 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)CC1 1826639591 OJZMOHUDNXFCDB-AREMUKBSSA-N 482.665 5.025 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1827298919 CNAGMMOOADDNAS-QHCPKHFHSA-N 466.622 5.449 30 20 JKED Cc1ccc2[nH]c(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)cc2c1 1827697277 LOMUYEFYHIWRQB-UZLBHIALSA-N 483.597 5.100 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732573 FANWRWBMVLLZQI-DEOSSOPVSA-N 499.051 5.816 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1 1828820682 ASLMIRVEIUYIEH-JWQCQUIFSA-N 452.614 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1 1828821858 SPAUJRZYDSTQHD-AHKZPQOWSA-N 459.634 5.165 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 1828823083 OMXZDNBWSIXIEA-SFTDATJTSA-N 463.544 5.102 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1)c1ccccc1 1829033259 TYDFMLDRHUZTGH-UIOOFZCWSA-N 487.669 5.431 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829596946 UYLGTWPBVSRDCV-VWLOTQADSA-N 485.653 5.543 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(C)cccc3Cl)CC2)c1 1829676346 DDLFOJMYAYADLS-XMMPIXPASA-N 480.008 5.076 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2SCC)CC1 1829865081 NMMKDASRBIEFAM-NRFANRHFSA-N 457.684 5.419 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830446794 ZCNORUDCNYJHLR-MUUNZHRXSA-N 471.645 5.750 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2C)CC1 1830502068 IQPMLAZGEJPONR-QHCPKHFHSA-N 473.455 5.184 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c(Cl)c1 1830722016 YWDBSYCOXGBUJI-FQEVSTJZSA-N 492.929 5.106 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)cc(C(F)(F)F)c1 1830755884 OAYXTMUXRUUJAS-HCXLOTKHSA-N 487.566 5.557 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sccc3c2O)CC1 1830958995 LVISSTMUFUSBPE-IBGZPJMESA-N 462.562 5.052 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3cc2O)CC1 1830992694 RHTJQXZAHVWNNX-JOCHJYFZSA-N 485.422 5.117 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc4ncccc34)CC2)c1 1832629568 UCZUIUWBRUMEMP-ZTOMLWHTSA-N 494.639 5.338 30 20 JKED COc1ccc2oc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2c1 1832632802 VWJFJJJOXVTGDN-FNZWTVRRSA-N 499.611 5.616 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)cc(Br)c3)CC2)CCC1 1832721216 BRSKFOOONZKMTE-HXUWFJFHSA-N 492.845 5.030 30 20 JKED CC(C)n1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)c(C(F)(F)F)c1 1832783311 XOBOVYKUXHWXCR-OAQYLSRUSA-N 478.559 5.015 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1833289499 UWCGYAGNABQAFR-FIPFOOKPSA-N 479.709 5.156 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3csc(C)c3C)CC2)CC1)c1ccccc1 1837575157 KLCSKZCUTHPMBR-AREMUKBSSA-N 492.685 5.174 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC(OC2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1837733212 PFHHZPQNLCZQGY-UHFFFAOYSA-N 466.666 5.033 30 20 JKED CCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1cc(-c2ccccc2)nc2ccccc12 9840662 PMFZQGHEZOKVRF-MHZLTWQESA-N 484.629 5.327 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc2c(c1)CCCC2 10118351 WLPBHYYSLBKNOI-UHFFFAOYSA-O 451.637 5.591 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 10173901 LQAURTKIFIHAFC-UHFFFAOYSA-O 461.651 6.338 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@H]1c1cccc(C#N)c1 11559722 FKLOXELNGGRHEI-VWLOTQADSA-N 486.572 5.363 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(\S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1C 15248059 VJLOHKSACUHYRF-UHFFFAOYSA-O 487.476 6.323 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC(F)F)ccc1Cl 15993808 GYPREBSNXGBTJI-UHFFFAOYSA-N 492.931 5.575 30 20 JKED CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 20985469 KJRNROKWNHPHQA-MRXNPFEDSA-N 459.575 5.030 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1cccc2ccccc12 21140628 INNAOWDEZYUDST-KRWDZBQOSA-N 462.550 5.455 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(F)cc1 22217403 CJEYOQLHDXMNCG-GOSISDBHSA-N 458.562 6.057 30 20 JKED Cc1cc(C)c(C#N)c(SCC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 22360754 VTEDPIIOIMLCBC-LJQANCHMSA-N 458.587 5.134 30 20 JKED O=C(/C(=C(/S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1cc(F)ccc1F 22731727 KWNQXHLFZHZXFX-UHFFFAOYSA-O 453.412 5.202 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 23599639 UZNDIBIOCXDSTF-QGZVFWFLSA-N 457.534 5.123 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(Cc2ccccc2)cc1 27311103 INAWJUHVPJSVBP-UHFFFAOYSA-O 455.647 5.548 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1/C(O)=N/c1nnc(SCc2ccccc2)s1 30560903 MNCSWBYXEORPFH-UHFFFAOYSA-N 456.593 5.962 30 20 JKED O=C(/C=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1cccc(N2CCOC2=O)c1 60203611 MBJYCMIRRMXLHT-YOCVDRLZSA-N 459.342 5.411 30 20 JKED C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)C(=O)Nc1ccccc1C#N 206745346 DJLUEIHGKGCQSF-KCGBVJQISA-N 463.493 5.370 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccccc2)oc1C 302928096 CUSHJFJZRYNBEQ-UHFFFAOYSA-N 452.967 5.952 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 483369977 DUMYCQQPZNLXBQ-UHFFFAOYSA-N 472.495 5.751 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(-c2cccs2)no1 483379986 SLYHMXABESJFJD-UHFFFAOYSA-N 460.534 5.673 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)s2)cc1 487359600 WJDVCDVQSMBUJI-UHFFFAOYSA-N 481.002 5.476 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](CN2CCCCCC2)C1 491512341 BOSSGQHPFZXHHK-VWLOTQADSA-N 460.622 5.566 30 20 JKED CC[C@@H](C)n1c(SCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 504279903 HWYKGKUOUPVBQH-QGZVFWFLSA-N 472.536 5.195 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507922187 ZLAMLQBMIONAFI-JOCHJYFZSA-N 475.932 5.256 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 508142375 NJQUONHWAXGCSZ-UHFFFAOYSA-N 495.579 6.090 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)CC1 511016943 QOJLATHIAXILHT-XMMPIXPASA-N 490.401 5.051 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 512137758 GDLCWQDVBYXHQM-UHFFFAOYSA-N 459.590 5.853 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)c1 512202788 LLELGLUMKKSZMT-UHFFFAOYSA-N 496.954 5.368 30 20 JKED N#Cc1ccc(CS(=O)(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)cc1 515708745 CMIPLNRSEUXUMW-UHFFFAOYSA-N 471.538 5.157 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 516084350 XZVPRZWARLISIE-UHFFFAOYSA-N 485.987 5.037 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2sc3c(c2c1=O)CCCC3 517449181 QLMSAMONIQCFMA-HNNXBMFYSA-N 498.699 5.339 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 517619692 TWUAEUUHIIRCDJ-UHFFFAOYSA-N 466.463 5.619 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)oc12 520005377 VCESMFSRHXTVDS-KRWDZBQOSA-N 469.497 5.311 30 20 JKED CCOc1ccc(N2C(=O)c3ccc(C(=O)N(Cc4ccc(C#N)cc4)CC(C)C)cc3C2=O)cc1 520150311 BXVUWQJUPSIWOZ-UHFFFAOYSA-N 481.552 5.056 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 521737027 WTJLKIQQSJWEFE-GOSISDBHSA-N 476.508 5.445 30 20 JKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524424615 CRFUEYDLIPAEIZ-MRXNPFEDSA-N 482.367 5.602 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 524572666 LPWYXHPOSXJJLC-FQEVSTJZSA-N 492.359 5.236 30 20 JKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(F)cc1 553416658 PKFOWNMQHHQJEL-LJQANCHMSA-N 495.542 6.082 30 20 JKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 589527546 NWDIYSUUNANNLM-UHFFFAOYSA-N 498.568 5.237 30 20 JKED O=C(Nc1cc(F)ccc1Oc1ccccc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590143159 LAMFBGRKFCSAFQ-CHWSQXEVSA-N 450.354 6.213 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 603956975 WSNCYPVGHMDKNQ-UHFFFAOYSA-N 460.422 5.485 30 20 JKED C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccccc1SCC#N 604010177 PKJMMTJZECGRSE-IRXDYDNUSA-N 471.026 5.409 30 20 JKED C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cn2)C[C@@H](C)O1 604090345 VRKZBHDXQRXVIK-QZTJIDSGSA-N 491.979 5.334 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 604365122 VYVIEPWDCWVETR-FQEVSTJZSA-N 452.514 6.212 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 604500834 LMKZCMMTARPLAR-UHFFFAOYSA-N 456.262 5.020 30 20 JKED CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609081026 YUKDPUAEZVBPLY-UHFFFAOYSA-N 488.975 5.347 30 20 JKED CC(C)c1nnc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1Cc1ccco1 609370704 PZFVAGJIBKAXKQ-INIZCTEOSA-N 455.609 5.025 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 609403684 QWGNJSJETJYMOH-QGZVFWFLSA-N 456.011 5.158 30 20 JKED CCC(CC)(CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 609439131 BAONTQNTOXNBLD-QGZVFWFLSA-N 458.027 5.547 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 612894587 BRPLUDGDDUMCDB-IBGZPJMESA-N 452.894 6.265 30 20 JKED O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618539549 GQIFPEIBDJYVCT-HOTGVXAUSA-N 496.398 6.473 30 20 JKED O=C(CCc1ccc(F)cc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517475 JSOPCQFAVOBATB-GOSISDBHSA-N 467.356 5.535 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCCC2)C(C)C)nc2scc(-c3cccs3)c2c1=O 637793922 KDOZHOZOLAGKHF-SFHVURJKSA-N 459.662 5.112 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc(-c3ccco3)nc21 642281616 MOCNHCNLYIFJST-GOSISDBHSA-N 453.527 5.886 30 20 JKED O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642447608 BNZHIVWRZJMVSF-YABSGUDNSA-N 487.416 6.043 30 20 JKED O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cc(F)c(F)c(F)c1F 643414447 MHKMULBABFDBDS-LJQANCHMSA-N 467.344 5.658 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)nnc1-c1ccncc1 645072202 QGTXHWQOFJRQMB-UHFFFAOYSA-N 490.658 5.678 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H](C)c1cccnc1)c1ccc(Cl)cc1Cl 726397880 QSEWLXBSMYUOKY-KXLVAZQESA-N 491.444 5.179 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)S/C1=N/[C@H](C)c1cccs1 726419768 GSOVQLTXSZGLTK-NLADNXFPSA-N 480.453 5.310 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\[C@@H](C)c1cccs1 726420252 HYXPSYXJALCFFW-JFCOFRMWSA-N 473.664 5.180 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2ccc(CCC)cc2)c1 726573566 KHFLMWRVSSYHBV-UHFFFAOYSA-O 475.637 6.898 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3cnn(Cc4ccccc4Cl)c3)SC2=S)cc1Cl 726626543 IEGDWWJSYJPHAK-FBCYGCLPSA-N 471.394 5.516 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2C)c1C 727252238 APTPTUVEIAXWAT-DEOSSOPVSA-N 489.645 5.297 30 20 JKED COC1CCN(c2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2C(F)(F)F)CC1 727981361 KGPCPJSZAWCCFM-UHFFFAOYSA-N 468.932 5.655 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(C)n(-c5ccc(C#N)cc5)c4C)CC3)c2c1 728267732 RAEBHOCLDGTDLD-UHFFFAOYSA-N 450.542 5.385 30 20 JKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728391674 BAQVTMJPMSVHBE-UHFFFAOYSA-N 472.564 5.931 30 20 JKED COCCCn1c(NN=C2CCCc3nc(-c4ccc(Cl)cc4)sc32)nc2ccccc2c1=O 728425519 JBNCGUYEEPCNIT-UHFFFAOYSA-N 494.020 5.362 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1CCCCC#N 728776880 FWZUMTYENZHTAU-FQEVSTJZSA-N 499.980 5.211 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)cc1 728777594 LLMCHSGBEOZTFV-QFIPXVFZSA-N 466.582 5.603 30 20 JKED CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729572044 RSBSEJPCWZLMQM-FQEVSTJZSA-N 450.539 5.214 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ncccc2C)cc1 729632871 BBKMAEPZVLYFJR-HSZRJFAPSA-N 492.576 5.088 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ncccc2C)C1=O 729634926 XBMYXTXTSXLEKL-QFIPXVFZSA-N 495.004 5.213 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1ccc(-c2nc3ccccc3s2)o1 730567215 OYNZSJYXUWTCLY-UHFFFAOYSA-N 461.572 5.515 30 20 JKED CCOc1c(Cl)cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1OC 730584178 PLZCOLVCHIUZBY-UHFFFAOYSA-N 487.796 5.396 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccc(F)c(Cl)c1 730685665 BBEYXDDATWSTJD-LBPRGKRZSA-N 469.847 5.388 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2Br)C1 731114214 KCENZSWVLAMKQJ-BEFAXECRSA-N 460.397 5.306 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(OC(F)(F)F)cc1 731309028 PIBWSAAQIPFOMH-SFHVURJKSA-N 481.496 5.051 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c1 731309074 SKQNTPQCVJRVQZ-JPYJTQIMSA-N 474.586 5.126 30 20 JKED C[C@H](C#N)CN(C)Cn1nc(COc2ccccc2F)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1=S 746706540 MNLIFPXVPLVYGJ-SLHNCBLASA-N 457.619 5.178 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)CCC)c1 747682834 ARVMPRNLDWZBAK-UHFFFAOYSA-N 465.015 5.038 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 749047241 DUYCLXMHRAIASO-OAHLLOKOSA-N 487.919 5.074 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 750307273 SFGOPQANCYPLJF-FQEVSTJZSA-N 457.408 5.104 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1cccc(C)c1 808049702 ASZOSHOVOQRDJB-IBGZPJMESA-N 459.600 5.366 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 837958943 KYCGAPNKRFECJG-VFNWGFHPSA-N 499.423 6.110 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccc(F)cc1 838486672 QYRNEGPTFBWCPX-HSZRJFAPSA-N 495.551 5.176 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1cccs1 838487954 DIYIOKFELMNWNN-JOCHJYFZSA-N 493.610 5.120 30 20 JKED CC(C)N1CC[C@@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 849613196 PVKIJFDTAHMAEW-QZTJIDSGSA-N 494.455 5.162 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 899990217 LFUJXCXTVJYSPX-UHFFFAOYSA-N 475.863 5.468 30 20 JKED N#CCCCn1cc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c2ccccc21 904490495 UPJOWQUHKQHAAP-UHFFFAOYSA-N 458.525 6.060 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1=S 913063605 GUEKYSHKVIVKPV-OAQYLSRUSA-N 474.989 5.003 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(NC(C)=O)c1 913120953 UAIUUNYGDZPRKZ-IBGZPJMESA-N 492.523 5.034 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCCC(C)C)c1 914543689 QZRQTHLXJKQORH-JOCHJYFZSA-N 469.607 5.100 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)sc2nc(C(F)(F)F)ccc12 915085467 MLGNSVJZRBDVDC-IBGZPJMESA-N 451.473 6.531 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 915085557 CLAASHTVGFMWHX-QFIPXVFZSA-N 498.936 6.264 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(C2SCCCS2)cc1 915860240 PRMUWLKQSGPKJZ-UHFFFAOYSA-N 477.611 5.940 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)cc1OC 916137694 LGXYIHPDFDQFPN-RUDMXATFSA-N 499.922 5.419 30 20 JKED COc1cc(C(=O)/C=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cc(OC)c1OC 916137853 GWQNXCKVSOODAK-KTKRTIGZSA-N 461.345 5.469 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)c1 916217679 URKVTZABZJNIAN-LJQANCHMSA-N 494.400 5.133 30 20 JKED C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccncc2)n(Cc2ccco2)c1=S 916567700 QDLICPNCXRDGGN-UHFFFAOYSA-N 458.012 5.478 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916917070 DIQWENBLSFKHNR-OAQYLSRUSA-N 491.378 5.839 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc(-c3ccco3)nc21 916928274 IYVGJJPQFWFGHA-HNNXBMFYSA-N 482.327 5.540 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cn2c(SC(F)F)nc3ccccc32)cc1 916953313 BLWFSQIKAVCIFC-RHSMWYFYSA-N 456.518 5.212 30 20 JKED Cc1c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)sc2ccccc12 917612193 MIOLESPQULBRDI-UHFFFAOYSA-O 484.670 6.990 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)SC2=Nc2ccccc2)n1 917675200 GSJFRWKRYGEYBC-OAQYLSRUSA-N 498.530 5.569 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)c1 918546578 CNWSFVYPGIAUHK-QRPHSONGSA-N 489.041 5.302 30 20 JKED C=CCN(C(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1Cl)C(C)C 919774181 IDHJRJLYJUCBHB-UHFFFAOYSA-N 497.764 5.625 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)o2)c(C)c1 920110159 YWHNKPDVAVHPIP-QHCPKHFHSA-N 480.520 6.229 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 920677749 MJDCQPKVIMLPIR-CYBMUJFWSA-N 477.970 5.085 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 920806416 KVLFGIPTPDTOHI-HNNXBMFYSA-N 472.538 5.647 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1=S 921050991 FQDYJQRYPPLYOP-UHFFFAOYSA-N 466.998 5.294 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1oc2ccccc2c1CSc1ccccc1F 921216418 SXZQUQBKBBHSID-UHFFFAOYSA-N 466.515 5.593 30 20 JKED Cc1cccc(-c2nc(CC(=O)O[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)cs2)c1 926040281 KZGKIYTUUPFWFE-FQEVSTJZSA-N 461.587 5.156 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2 1779513374 DHXZSPIJVUSFBL-HYBUGGRVSA-N 467.437 5.113 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4c[nH]c(C(C)(C)C)c4)cc3)CCC2)c(C#N)c1 1787041936 IKVLASNXKMSNFF-UHFFFAOYSA-N 484.600 5.183 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)CCC2)cc1 1787764825 GOMNHNWFZZYYEW-UHFFFAOYSA-N 457.961 5.396 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982294 GSSWHDMNJYDHNW-INIZCTEOSA-N 466.969 5.370 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789200432 FLXAPGGJYGPBRP-DEOSSOPVSA-N 495.664 5.494 30 20 JKED CSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1789923959 DGRYZSXNWOTGHF-UHFFFAOYSA-N 470.598 5.056 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(C)c1 1790707725 MSIKVBIJPDZIQO-UHFFFAOYSA-N 453.542 5.131 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(F)c(C#N)c5)CCC4)cc3)c12 1790920670 XWMHLNNGADSQGC-UHFFFAOYSA-N 496.542 5.178 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@@H](NC(=O)OC(C)(C)C)C4)cc3)CCC2)C1 1791564816 YDDXSTHKEXRSIK-AUSIDOKSSA-N 481.637 5.170 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)nc1C 1792122184 DWZOGZOPCYLVAP-LJQANCHMSA-N 452.558 5.387 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)nc1 1792168250 FABDZRIZYROVRD-UHFFFAOYSA-N 468.557 5.110 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc3)CCC2)C1 1792339677 VXLBSQZUYBYYEU-QFIPXVFZSA-N 469.626 5.026 30 20 JKED Cc1ccc(-c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C4)c[nH]2)cc1 1794589178 JRQBSHROECWAOD-QEIWAGNOSA-N 475.709 5.293 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(C#N)cc3Cl)C4)cc2n1 1797958515 UPTJAEKQBBQXHB-REPLKXPHSA-N 493.394 5.287 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)cc1 1799305124 GFOPOLNKGYHAGF-VILGAWFOSA-N 487.003 5.185 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C3)c1 1800767732 BCBQZJWQTXPYEP-REPLKXPHSA-N 475.898 5.105 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802498932 PMNFFSWASIZWQR-CGBRIMPHSA-N 480.052 5.537 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[C@H]2c2cccnc2)C1 1803224893 MZTMDXVRRYWAAF-GVXSCFBNSA-N 466.025 5.147 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c[nH]1 1804865931 CVDRXQUESFJYAW-NVQXNPDNSA-N 492.740 5.078 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)CC1)c1ccccc1 1806194099 VPEGERQSIDZPEX-CCGQDMKZSA-N 486.578 5.147 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC3(CCCN(C(=O)c4c[nH]c(-c5ccc(F)cc5)c4)C3)CC2)c1 1807695502 NYGLBBTZNGOJBU-UHFFFAOYSA-N 498.602 5.170 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@H]1c1cccnc1 1810168597 JVHJXJFFWIRTNP-AQHOXQCLSA-N 498.627 5.173 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)C2)CC1 1810304665 TXWWFZQESGKXSJ-OAQYLSRUSA-N 480.649 5.697 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2ccc(F)cc2F)[C@H]1c1cccnc1 1810492086 IZLJFSIXMSGGLU-CYFREDJKSA-N 487.616 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@@H]1c1cccnc1 1810499335 BQTUIEVAOTXDJW-MHECFPHRSA-N 480.559 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1810501356 BKJFOLQIGWEFAD-VGOFRKELSA-N 492.422 5.840 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[C@H]1c1cccnc1 1810502282 HGRHJBUEMUQZAT-HVCNVCAESA-N 497.083 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1810502849 MKTVZCGBRDWKKA-GBXCKJPGSA-N 484.040 5.446 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)cn3ccccc23)[C@H]1c1cccnc1 1811342481 LTRNQULIJUVALD-SETSBSEESA-N 490.607 5.124 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CC[C@H](CNC(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)cc1 1811361763 NGFMWHBTFTYFFY-DFTGOERRSA-N 496.636 5.082 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1812522996 WYIBTGWCTINWRV-HOFKKMOUSA-N 492.063 5.446 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)[C@@H]1c1cccnc1 1812588142 BJIGAHPSVWUBFN-RGZWJVDOSA-N 496.533 5.180 30 20 JKED CC(C)[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1813863146 GXHACTBZTANZSZ-YXTIXXKGSA-N 494.639 5.468 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1814066975 PPDKUWPENMPKCN-ZHHKINOHSA-N 479.587 5.449 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1815656897 MBSPVHPYMBIKCC-KRWDZBQOSA-N 486.947 5.307 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2scnc2C2CC2)n[nH]1)c1ccccc1 1816254893 JRUFZLDQUOQIEJ-IRLDBZIGSA-N 487.629 5.247 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[nH]n1 1817123631 MMTVHTYAUHZJSL-RDGATRHJSA-N 477.515 5.217 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4nc(C)sc34)n[nH]2)c1 1818537379 YTICMWVGNTYYRU-JOCHJYFZSA-N 484.585 5.128 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971783 PONBCJJHUDPUMC-YADARESESA-N 492.023 5.994 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)[nH]n1 1819309137 NBSNXDSXVRGLEN-ISKFKSNPSA-N 494.636 5.210 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820086938 GTXKPVRXGOSGNL-QHCPKHFHSA-N 498.587 5.620 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3Oc3ccccc3)n[nH]2)c1 1820437898 OOEBLQUSFXCJJE-RUZDIDTESA-N 491.551 5.693 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821182712 YWTXPDSDUMXCIP-HSZRJFAPSA-N 494.555 5.059 30 20 JKED COc1ccc(C2(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(C)cc(C#N)c4)n[nH]3)CCC2)cc1 1821325765 OYKHRCWSVKGYBJ-VWLOTQADSA-N 497.599 5.026 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[nH]n1)C(F)(F)F 1821991959 DKILHEMWLXQVPN-FAJBIJEISA-N 452.521 5.127 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 1822342217 OZWPCIHVGVJUIN-UYAOXDASSA-N 494.583 5.107 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1822580824 BNCLFXZWJYAJFW-LJQANCHMSA-N 491.817 5.325 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)[nH]n2)c1 1823210790 IMAVWKHVIVHOFW-URWDGAEESA-N 485.563 5.285 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccnc(C(C)(C)C)c3)[nH]n2)c1 1823212769 ZDECLTFAWZOZCX-JPYJTQIMSA-N 484.604 5.349 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)CC2)C1 1823704486 IJPNHIANOMLAAP-HSZRJFAPSA-N 474.567 5.323 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1823889935 HNSKJSKXBQCHAF-NRFANRHFSA-N 476.448 5.194 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 1824030516 CKMAPJINVWNMDI-CYXNTTPDSA-N 452.614 5.317 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824143554 RMAFNNXNSHZKMS-HSZRJFAPSA-N 454.014 5.213 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)CC1 1824422428 SRFBEWIIIMHCGS-KAYWLYCHSA-N 464.650 5.079 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1824538022 BKAKPCWFSCFKKN-WIYYLYMNSA-N 480.099 5.137 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1824545719 YDRBEFJCAQHYLQ-WOJBJXKFSA-N 474.564 5.032 30 20 JKED CC(C)(C)OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1824897869 QDRKLHPKVMDWIT-NDEPHWFRSA-N 486.656 5.135 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1825434555 ODDHSCBJKLWYOM-HFZDXXHNSA-N 486.660 5.553 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3)CC2)c1 1826369829 GHIYZDSZHABILA-AMGIVPHBSA-N 457.618 5.180 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)CC1 1826372288 METCCAWDBRZZDM-SANMLTNESA-N 452.639 5.016 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828467019 CHQNPCGFXZQWPC-SFHVURJKSA-N 494.451 5.420 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1828823728 ATBBUBMAZQPVNN-DQEYMECFSA-N 475.633 5.652 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1)c1ccccc1 1829030405 NWNJSUINURZYGD-RPBOFIJWSA-N 489.685 5.451 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1829701905 OWYVWXMHEWIHOT-VWLOTQADSA-N 490.003 5.813 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1)C(F)(F)F 1829702056 UKZFIMGITSOVCC-IBGZPJMESA-N 468.903 5.438 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3F)CC2)c1 1829886662 LYWOUOSLCNCSQR-BVZFJXPGSA-N 465.544 5.139 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829939752 QMTLMXMDERYHCC-QHCPKHFHSA-N 487.497 5.263 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)cc1 1830628603 TWUHOWRCJILVHC-NDEPHWFRSA-N 483.656 5.498 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c(OC)c(C)c2)CC1 1830676548 KGDQDSYUUZZYLN-DQEYMECFSA-N 452.639 5.314 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)cc2c1 1830719005 QHFXWJBXJIUYAS-AREMUKBSSA-N 472.564 5.034 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccs3)CC2)c(Cl)c1 1830720622 UCPYPARSVLHWJN-HSZRJFAPSA-N 470.038 5.139 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c1 1830770168 MEWCKWVJLSBYLQ-VWLOTQADSA-N 455.558 5.160 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)s1 1831139630 INTDANIDUAFEDK-SIKLNZKXSA-N 465.729 5.064 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1)C(F)(F)F 1831455577 SZRDEQSRWUUKPK-VXKWHMMOSA-N 468.535 5.304 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c1 1832386060 NOTCAERGGLBHIT-YREICUCLSA-N 461.650 5.081 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCCCCNC(=O)OC(C)(C)C)CC2)C1 1832756480 GPWWQCNYJDMWFJ-DEOSSOPVSA-N 489.701 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CC(c4ccccc4)(C2)C3)CC1 1832986935 DAARPVYRUUPACK-DQXSBBCTSA-N 460.662 5.496 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)/C=C/Sc3ccc(C)cc3)CC2)CC1 1835708213 HLRYJYHGTPHZSF-RCCKNPSSSA-N 483.722 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)CC1 1835816496 JJRGVZMMQCNHQV-YHBQERECSA-N 459.719 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1836697839 KHAGXPNQKIUGBU-UHFFFAOYSA-N 486.656 5.734 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1846886557 TYECPSLOYQDJJF-UHFFFAOYSA-N 492.366 5.133 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2cccc(C)c2)cc1 10167441 XJKANVCAERZHGR-UHFFFAOYSA-O 492.665 5.969 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179173 XEFSRULGONYMDQ-UHFFFAOYSA-O 480.387 6.563 30 20 JKED COc1cc(-c2noc(CSc3nc(C)cc(C(F)(F)F)c3C#N)n2)ccc1OC(F)F 10399225 PXRJFENUUCMUHB-UHFFFAOYSA-N 472.395 5.233 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 10830341 YMGPHUFQBRUNTJ-UHFFFAOYSA-O 458.006 6.269 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)nnc1-c1cccnc1 11188146 KNKUIOVWQILGQZ-UHFFFAOYSA-N 477.977 5.703 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 11251410 UWIUBILMCYTLDM-UHFFFAOYSA-O 497.587 5.777 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc2ccccc21 11650992 LUCXMPHRHYROEW-GFCCVEGCSA-N 450.442 5.269 30 20 JKED C=CCn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nc2scc(-c3cccs3)c2c1=O 14676104 ZIOVLDOYWVIRDI-UHFFFAOYSA-N 499.042 5.555 30 20 JKED Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n(C(C)C)c(=O)c2c1C 16798371 MTNAHIXNVQYZKG-ZDUSSCGKSA-N 461.012 5.300 30 20 JKED N#Cc1c(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)sc2c1CCCCC2 20852185 NGKSNTGXNJDJJT-UHFFFAOYSA-N 493.104 6.250 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc(Br)cc1 21134524 CAYOMGXJXZWAHZ-UHFFFAOYSA-N 454.353 5.236 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nnc2-c2ccccc2F)cc1 22144856 CFANJOSVXRUGLR-UHFFFAOYSA-N 489.601 5.728 30 20 JKED COc1cccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)s2)c1 22362033 BSNQGUUKYFTMEV-KRWDZBQOSA-N 467.620 5.335 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(N(C)C)cc2)s1 22731097 LYVDOCYKPUCXTJ-UHFFFAOYSA-O 465.451 5.768 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1 24284825 YKEMAYARXZWBGP-UHFFFAOYSA-N 476.549 6.276 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 27080011 SBXOBYHQVKJMDS-AWEZNQCLSA-N 458.927 5.089 30 20 JKED CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2C[C@H]1C 28679401 LHTYBCQMRXADLM-WAIKUNEKSA-N 479.989 5.094 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(C)c2)c1C 28695754 PQCYVNUIRDRVST-UHFFFAOYSA-O 488.605 5.796 30 20 JKED N#Cc1c(CCCNC(=O)c2ccccc2SCc2cccs2)nn(-c2ccccc2)c1N 31566398 DLOGVNCZTNCRMA-UHFFFAOYSA-N 473.627 5.043 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 32785837 AYJBXSJTSSNZAG-HHHXNRCGSA-N 486.616 5.534 30 20 JKED C=CCc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc(OC)c1OC 36795218 DGBQBRNTXMNPRX-VWLOTQADSA-N 479.598 5.299 30 20 JKED C[C@H](Cc1nnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)o1)c1ccccc1 105388701 WDPLDZXUBKZBOT-APWZRJJASA-N 460.584 5.508 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)cc1Cl 107646421 PLXGEMWTGPXDNU-HSZRJFAPSA-N 459.933 5.140 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccccc1F 195558311 JJTCIUGEOZBRRF-IBGZPJMESA-N 478.515 6.044 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nnc1-c1cccnc1 302697672 KRTPBBAAJCBMEV-UHFFFAOYSA-N 476.631 5.576 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 302989444 XCVIJYHUFQEIPJ-UHFFFAOYSA-N 464.352 5.130 30 20 JKED CC(C)(C)n1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(-c2ccccc2Cl)n1 409663784 GUKHRSZQENSSHR-UHFFFAOYSA-N 490.007 5.321 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1SC 476483190 FZUXMOSCEPIPQJ-UHFFFAOYSA-N 461.587 5.726 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)cc1 481574518 PCXYWCICMIJKGG-UHFFFAOYSA-N 487.531 5.412 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(C(=O)N4CCCCC4)ccc3Cl)c2)cc1 483526134 OLEJFJPCTVWTBK-UHFFFAOYSA-N 459.933 5.882 30 20 JKED Cc1ccc(-c2csc3ncn(CC(=O)c4cn(CCC#N)c5ccccc45)c(=O)c23)cc1 498354113 ORZXLTOQIMMDFA-UHFFFAOYSA-N 452.539 5.185 30 20 JKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 498921008 XSGVDJREXTZASX-UHFFFAOYSA-N 450.652 5.887 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 503286636 TXVVOZWZMVZBOV-UHFFFAOYSA-N 452.518 5.319 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 504621876 PYTJVRXMZKMRDZ-UHFFFAOYSA-N 479.434 5.358 30 20 JKED CCN(C(=O)CCc1nnc(-c2cc(F)ccc2Br)o1)[C@H](C)c1ccc(C#N)cc1 508940112 CJPSHFXCSLMATO-CQSZACIVSA-N 471.330 5.052 30 20 JKED C=CCN(C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)[C@@H]1CCS(=O)(=O)C1 512086722 FRBNVFFTTQKOAC-GOSISDBHSA-N 470.443 5.101 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 512861702 PZPWYRFPJSLFER-UHFFFAOYSA-N 471.391 5.761 30 20 JKED CC(C)(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)S(=O)(=O)c1ccc(Br)cc1 513682313 SNEKESGEXOYKHS-UHFFFAOYSA-N 499.386 5.304 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C)c(Cl)cc1OC 514294479 JVUWAUYUIBPQPW-UHFFFAOYSA-N 493.416 5.398 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)sc2c1-c1ccccc1CC2 515626402 DTRFBMDMBPOLKG-UHFFFAOYSA-N 491.616 6.029 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)cc2Cl)cc1 516028438 GEWIJRQEXJHELO-UHFFFAOYSA-N 497.942 5.135 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 518944435 IYAXBAHVJNZRJM-UHFFFAOYSA-N 495.501 5.419 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)cc1 519170722 YOMBBNIWZOLKBA-QHCPKHFHSA-N 484.516 5.323 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccccc1S[C@H](C)CC#N 520197998 XBXARHNJMWIIJQ-OAHLLOKOSA-N 475.412 5.302 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)cc2)cc1 520812348 DUVKQAPAIPSXOB-UHFFFAOYSA-N 452.470 5.518 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CN3C(=O)NC(C)(C)C3=O)c2C#N)C(C)(C)C1 521211896 ZTAWVCBICQZGAS-SREVYHEPSA-N 494.642 5.037 30 20 JKED COc1cc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)ccc1O 521307918 KVHNBJZBLNBVLF-JOCHJYFZSA-N 461.949 5.906 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Br)cc1 521499119 WYFJAXLYOANRGM-QHCPKHFHSA-N 478.346 5.319 30 20 JKED N#Cc1ccccc1COc1cccc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 521813866 GHFXGMFKHVYKCD-UHFFFAOYSA-N 465.528 5.818 30 20 JKED COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 524126890 QCIBTKPSTIPYQQ-UHFFFAOYSA-N 499.596 5.074 30 20 JKED C=CCN(CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)Cc1cccc(C#N)c1 553935566 IAJRSTSQRPNPAC-JOCHJYFZSA-N 466.585 5.018 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSCCN4CCOCC4)c3C#N)C(C)(C)C2)o1 590098515 XQWUYNOQLDLJIT-FNORWQNLSA-N 497.686 5.303 30 20 JKED C=CCN(C(=O)c1sc2nccc(C)c2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603563576 WDAUADSMRPQHJQ-UHFFFAOYSA-N 450.545 5.778 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cn1 603960445 FHZBJNPOZJHYDW-UHFFFAOYSA-N 455.470 5.487 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)c1 603969574 GZWKHUODVVUYGA-UHFFFAOYSA-N 494.334 5.729 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604242368 ITYVRSGVJVZDBD-UHFFFAOYSA-N 488.345 5.563 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609064077 IFNAQHMLRGSZBS-DEOSSOPVSA-N 461.949 5.184 30 20 JKED N#CCCCOc1cccnc1NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 609072479 TVDKFWBRQIFKKN-UHFFFAOYSA-N 472.976 5.992 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCN(CCCc2ccccc2)CC1 609079680 IKMNBMIGNFLWAR-UHFFFAOYSA-N 482.628 5.618 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2Cl)c1 609079972 MQRRUBHEYWPCRR-QFIPXVFZSA-N 497.020 5.047 30 20 JKED CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208524 PQVBKXKDMHICDS-HXUWFJFHSA-N 485.462 5.273 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609381640 BGYPIMAQIXWJMV-UHFFFAOYSA-N 474.508 5.938 30 20 JKED CCC(CC)(CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 609406481 QGTZBWLVAYLKBK-QGZVFWFLSA-N 458.027 5.404 30 20 JKED C=CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 609434154 YFDCAXWFPZTYPT-UQBPGWFLSA-N 497.990 5.752 30 20 JKED O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619386856 XUIXPCIUWFEZAD-HUUCEWRRSA-N 466.372 5.827 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2C2CC2)cc1Cl 726404243 UHYVNGZYHYSTFV-SFHVURJKSA-N 477.348 5.127 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCCC3)C2=O)c1 726404922 AJRUKYOYCMPQOE-JOCHJYFZSA-N 481.021 5.731 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cscn2)c1 726407315 MLGKMRBICNZTSL-HXUWFJFHSA-N 498.992 5.077 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)cc1F 726409751 CREOJLGZKQPQKV-FQEVSTJZSA-N 487.553 5.195 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\[C@H](C)c1cccs1 726420258 HYXPSYXJALCFFW-NVQWGSRNSA-N 473.664 5.180 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 726436147 MFLNEAFFBMVKIR-UHFFFAOYSA-N 455.992 5.239 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1=S 726786878 LLRAJOLUUSKZMJ-FQEVSTJZSA-N 459.541 5.866 30 20 JKED CC(C)CC(=O)N[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 727627699 PAJNQTMVGZZYMF-SIKLNZKXSA-N 451.979 5.543 30 20 JKED CSc1cc(-c2csc(=Nc3ccccc3C#N)n2CCCCC#N)ccc1NC(C)=O 728775966 GIBOHKRQNWIWHM-UHFFFAOYSA-N 461.616 5.695 30 20 JKED N#Cc1ccc(OC2CCN(Cn3nc(-c4ccccc4)n(Cc4ccco4)c3=S)CC2)cc1 728902883 CSRRDMGJMBRVCN-UHFFFAOYSA-N 471.586 5.095 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 729145315 KCOBMYZSALLJAH-LJQANCHMSA-N 496.017 5.137 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 729889937 VEXRHXPPSPZCSY-XMMPIXPASA-N 468.944 5.391 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1F 730482179 OYAFFMUNJBLCJZ-UHFFFAOYSA-N 475.520 6.070 30 20 JKED Cc1sc2ncn(N=CC3=C(N4CCOCC4)/C(=C\c4ccc(Cl)cc4)CC3)c(=O)c2c1C 730548740 LLPXMFWHONKCGP-BDYDTJOVSA-N 481.021 5.026 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 730995005 MZWBAMBZJRGMSY-HNNXBMFYSA-N 481.927 5.352 30 20 JKED CC(C)(C)n1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c(-c2ccccc2Cl)n1 731084921 JAXSZARZVVPWLF-UHFFFAOYSA-N 464.953 5.062 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 731115024 YYMCNCTVGUCMFQ-WIYYLYMNSA-N 472.655 5.582 30 20 JKED CSc1ccc2cc(COC(=O)CCC(=O)N(CCC#N)c3ccccc3)c(Cl)nc2c1 731253815 DCDLHODNAWKGBM-UHFFFAOYSA-N 467.978 5.380 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731308321 YZRBFVAWBQFKIH-KKSFZXQISA-N 465.600 5.045 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1cccnc1 731310235 CZBMVYSLUBPCIJ-OPAMFIHVSA-N 495.004 5.471 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731310585 KZHAHMCVZHGSHQ-UKILVPOCSA-N 489.572 5.643 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 731332560 OKONLLUXTRPBDQ-OAHLLOKOSA-N 466.028 5.015 30 20 JKED CCn1c2ccccc2c2cc(C=Nn3c(S)nnc3COc3cccc(OC)c3)ccc21 744797066 WRQKMKQCXREZNK-UHFFFAOYSA-N 457.559 5.164 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cccs3)C2=O)c1 837387035 WWYSRSGWTYUTMC-NRFANRHFSA-N 465.600 5.226 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3ccccn3)C2=O)c1 837826520 LNTAJAYQWANHCQ-FDDCHVKYSA-N 493.032 6.073 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)n(C2CCCC2)c1C 914915862 DQJAXSSADLPEOR-UHFFFAOYSA-N 499.615 5.477 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3c(Cl)n2)n(-c2cccc(F)c2)c1C 915449744 WVBSWELHLGGMAL-UHFFFAOYSA-N 476.895 5.102 30 20 JKED C=CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 915814222 IVQKFKAWPCSZTL-UHFFFAOYSA-N 450.432 5.206 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C1/S/C(=N/C2CCCC2)NC1=O 915857285 RKGLORUHINXNNF-RQZCQDPDSA-N 469.825 5.703 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)cc1 916156296 ROOWSCRNJLYDNK-LEWJYISDSA-N 474.358 5.096 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2ccccn2)c1 916207628 HNJJJZUIXJYOBI-HXUWFJFHSA-N 499.423 5.857 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1Cl 916208915 AFGJKCSRWOIBAD-NRFANRHFSA-N 467.978 5.100 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)ccc1OCc1ccccc1 916333302 IEYJLJQQDANYOQ-UHFFFAOYSA-N 482.512 5.305 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)Nc1ccc(SC(F)F)cc1 916886550 IBOMBYFYFASLBS-KRWDZBQOSA-N 461.490 5.154 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916906900 WFTSHMIJFFSXTO-SIKLNZKXSA-N 487.581 5.195 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(F)c(Cl)c1 916939538 PLAQPPFEJRTLRY-AWEZNQCLSA-N 480.710 5.721 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCCc2ccc(Br)cc2)cc1Cl 916940753 WVCBCZUMIHZCGK-KRWDZBQOSA-N 463.759 5.171 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944521 GSRSMVWRMRNVMT-OAHLLOKOSA-N 481.748 5.136 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 916949046 LCFGVWOZTRKILB-DFBJGRDBSA-N 482.609 6.101 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 916954504 IMYRCMMEIIKUNK-OPAMFIHVSA-N 481.474 6.367 30 20 JKED CCc1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1=O 917042224 DLTASHHIIVDRQQ-GOEBONIOSA-N 457.477 5.107 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CC(F)(F)F)C2=O)cc1Cl 917704170 GLSDNSNMINDIQK-QGZVFWFLSA-N 480.899 5.043 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 918608253 BAISCFUANOREKJ-UHFFFAOYSA-N 481.577 5.922 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1c[nH]c2cc(Cl)ccc12 918710922 KLZGSICVHKHIGJ-UHFFFAOYSA-N 452.754 5.470 30 20 JKED N#Cc1ccc(NCCNC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)nc1 919905492 DOUNXSQEFHDVLU-UHFFFAOYSA-N 469.467 5.018 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)n2)cc1 920142496 KNBBGJUTFZKMMZ-VAMGGRTRSA-N 471.607 6.355 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cc(C)on3)C2=O)cc1 920353540 MDEMHPWLSIUADL-QHCPKHFHSA-N 492.601 5.159 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)o2)cc1 920804097 LGKQYAHRYUZYNL-CQSZACIVSA-N 484.509 5.115 30 20 JKED C=CCN1C(=S)N[C@@H](c2ccc(O)c(Cl)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 921294744 NRZWCADBHLFNSH-IBGZPJMESA-N 481.927 5.394 30 20 JKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(C#N)cc5)cc4)CCC3)ccc2n1 1785881825 RJBWNWNRSBHWHK-UHFFFAOYSA-N 474.564 5.405 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(OC)cc3)CCC2)cc1 1786370892 GKORUPDIPWBVBO-HXUWFJFHSA-N 485.584 5.096 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)nc4)cc3)CCC2)cc1 1787426524 BTJGSGKMXAVWCO-UHFFFAOYSA-N 478.474 5.228 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951127 RYFNYBLYQBBIKV-GYGTVUFYSA-N 469.629 5.692 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cn(-c4ccccc4)c4ncccc34)cc2)CCC1 1788396393 NTLBHRJBVKDOOO-UHFFFAOYSA-N 450.542 5.349 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(C)=O)o3)cc2)CCC1)c1ccccc1 1789517368 ABHDRJDXSVIILV-DEOSSOPVSA-N 483.568 5.183 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790002605 NPMZYWWCSLFRIJ-QFIPXVFZSA-N 487.625 5.475 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)c1 1790073213 SDLLFQITBHEUKX-UHFFFAOYSA-N 476.536 5.177 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ccccc4c3)CCC2)cc1 1790565147 PVLLAGMHXUMOBV-HXUWFJFHSA-N 457.574 5.317 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790947980 QHIBRKSRKSEYCD-UHFFFAOYSA-N 485.609 6.095 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3ccc(OC)cc3)cc2)CCC1 1791121479 YYFDZQZGTIATPY-QZQOTICOSA-N 462.590 5.215 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccnc(C)c3)CCC2)cc1)c1ccc(O)cc1 1791641737 ICCQANAZOZQQNA-VWLOTQADSA-N 495.623 5.360 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)cc2)CCC1 1791662936 FOXUNDDFKCOWRJ-INIZCTEOSA-N 492.925 5.074 30 20 JKED Cc1cncc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792123046 HSKWBFMQULDXKM-NRFANRHFSA-N 466.585 5.398 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792337397 JCEQQHDGOQODKG-PTUXOGIPSA-N 495.664 5.511 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1Cl 1796965234 VNKMFIKYRSVRIC-ACDBMABISA-N 494.378 5.691 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccc(Br)cc2n1 1798189916 SYKITMOXBTWCMV-ACDBMABISA-N 484.438 5.242 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(C)C)cc2)cc1C#N 1799713738 WELBZDUZXOFTQV-QEIWAGNOSA-N 459.590 5.034 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[C@H]1c1cccnc1 1802358600 QGYIMVNCKHTIHP-WIOPSUGQSA-N 472.589 5.049 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)[C@H]2c2cccnc2)C1 1802418078 QCUUKDJMGIIMEX-GIGWZHCTSA-N 490.607 5.287 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1802502065 DZWXWTBNOIKBCE-OFNKIYASSA-N 454.014 5.355 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@H](CNC(=O)Cc4ccc(C#N)cc4)[C@H]3c3cccnc3)sc2c1 1802580204 IFEOCGMTTVHGJB-UFHPHHKVSA-N 494.620 5.039 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1803091794 REXDUECDWNIUHG-PXDATVDWSA-N 482.024 5.222 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2cc4ccccc4o2)C3)c1 1803679759 QQXKYDVQLNYTIX-VIRIECSYSA-N 453.542 5.025 30 20 JKED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1804184668 MFRIXIZUTZWHAZ-NUNAXRQHSA-N 452.554 5.297 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)CCc3cccc(C#N)c3)CC2)C1)c1ccccc1 1805617223 BXPVHBSEKSAWMQ-NDEPHWFRSA-N 471.645 5.162 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1806539782 YXWDYRCDGOIPLB-XUZZJYLKSA-N 487.566 5.341 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)[C@H]2c2cccnc2)c1 1807468726 XDLBLVNHMAMVPN-URORMMCBSA-N 481.706 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1810500205 MUPIMHCASHPYSB-QPPBQGQZSA-N 480.052 5.465 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Br)cc(C(C)C)c2)[C@H]1c1cccnc1 1811982002 FGQQLFWJTLLQKU-VAXXYWNWSA-N 498.465 5.499 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1 1811997112 FQDWCHLQPRUVNL-HYBUGGRVSA-N 493.394 5.202 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813955783 WYWWHHNMWSFKNU-LMSSTIIKSA-N 465.597 5.262 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)c(C)c1 1814740792 QXPUFRMKJSWKNY-AREMUKBSSA-N 498.631 5.025 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CCCCC3(F)F)n[nH]2)c1 1815354271 UQLSNGAFSVEPJM-OZOXKJRCSA-N 469.536 5.168 30 20 JKED COc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)cc1 1816799298 LAOAXZMHOQBNKA-XMMPIXPASA-N 494.712 5.094 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)cc1 1819358993 CWZUHTMYSWIYLI-BWSGXRDBSA-N 489.576 5.341 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)[nH]n2)cc1 1821179448 FBAVPZWQFBJNIM-SANMLTNESA-N 490.567 5.157 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)[nH]n2)c1 1821273195 BPWPRRGDFYDBDH-VWLOTQADSA-N 494.530 5.102 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cccc4ncccc34)[nH]n2)c(Cl)c1 1821274765 LUOMHBRDRBJEHZ-DEOSSOPVSA-N 498.974 5.032 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821856557 DCEYZGXPRBWBIB-NFBKMPQASA-N 475.058 5.414 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1821925276 PDEYALUNCZVXCC-UGSOOPFHSA-N 452.452 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)ccc(Cl)c2F)n[nH]1 1823275179 BRYKFLOFQOYKDP-RDTXWAMCSA-N 462.928 5.416 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1823423475 FHABZHXZTUGOGI-NRFANRHFSA-N 471.586 5.339 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1 1824054565 LIEIGTZCKRCTOJ-NDEPHWFRSA-N 469.629 5.302 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1824512975 RCPDCRMAIQKMLB-MGPUTAFESA-N 487.855 5.471 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@@H](S)C(C)C)CC3)c[nH]c2c1 1824543367 ACDZOUIICVGYFE-IPIHODNOSA-N 467.679 5.064 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)n1 1825382604 HDQITHQRPHUONZ-XMMPIXPASA-N 478.662 5.004 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Br)cccc2-c2ccccc2)CC1 1826322465 WMCSPRLAPAWEQY-HSZRJFAPSA-N 494.433 5.263 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1 1827328420 HUBOHKDVHLBVNM-NRFANRHFSA-N 490.570 5.198 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827352401 RPUOZMOGEWZACS-ILBGXUMGSA-N 483.653 5.075 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1827379872 AXHINBVUTFOSMX-RUZDIDTESA-N 483.616 5.013 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c1 1828258926 SLXFENQQATYLTM-VWLOTQADSA-N 455.558 5.160 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828508076 LSEGKICWSUGIEZ-QHCPKHFHSA-N 469.423 5.412 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1828514677 OUUXYWLTGVGFQP-HHHXNRCGSA-N 486.591 5.045 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 1828821679 PNJFUPKYBWUIMJ-STXQHDJLSA-N 464.650 5.079 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C#N)c2)CC1 1828827160 IYEROBMCVDUBFL-VWNXMTODSA-N 498.465 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(OC)c2C)CC1 1829069920 CKPWSZMXFWUHRD-XMMPIXPASA-N 454.655 5.158 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)cc1 1829231483 ULDYJTUFRMAETR-QHCPKHFHSA-N 499.442 5.126 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1830411020 KKGOXKREDGXAID-AMDXRBSFSA-N 490.088 5.500 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1830420551 CTYJSTLUBJVMJM-WXVAWEFUSA-N 475.633 5.388 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)CC2)C1 1830731606 WWSAHSPADCCKAN-DEOSSOPVSA-N 499.627 5.372 30 20 JKED C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755908 OKAQIDWLABXLBB-VSDWSMLSSA-N 475.555 5.247 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc(C(F)(F)F)c1 1830756717 STXYFBODMAJCNN-ZUCPIXAKSA-N 495.545 5.524 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1)C(F)(F)F 1831453831 MXRKEMHVQCWARL-OAQYLSRUSA-N 479.930 5.240 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)CC1 1837394205 DQSYQEYFXUIDPM-VWLOTQADSA-N 491.632 5.031 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc5ccoc5s4)CC3)CC2)c1 1838027307 YUXXUJFLPAQJRJ-GOSISDBHSA-N 491.613 5.047 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)CC1 1838423921 QKKSJHDQLNGCFL-UHFFFAOYSA-N 452.639 5.169 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)C3(c4cccc(Cl)c4)CCCC3)C2)c1 1846306424 FMLZQQOMUMNAOU-FQEVSTJZSA-N 476.020 5.296 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(CC)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173622 ZTXPNZHXDXXEBZ-UHFFFAOYSA-O 479.669 6.741 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C#N)n1-c1ccc(Cl)cc1 10243158 CTQUMMHOXQYBHX-MRXNPFEDSA-N 489.988 5.587 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113102 SLYYBKANRNWLGZ-UHFFFAOYSA-O 478.009 6.556 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 16832687 RKSKZRDXXXHNJV-CQSZACIVSA-N 491.842 5.344 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)n(C2CCCCC2)c1C 17163716 LNTJYTWUBDRREU-UHFFFAOYSA-N 465.623 5.667 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nc2cc(Cl)ccc2c1=O 21831166 YLSAILAFDNKPAS-GFCCVEGCSA-N 478.799 5.118 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccccc1 22244810 OCPBEZPZDVEAIA-FQEVSTJZSA-N 481.691 5.010 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)cc1OC 25992297 BTDUSCCGRHDTTE-UHFFFAOYSA-N 480.586 5.683 30 20 JKED COc1ccc(CSc2nnc(SCc3c(C#N)c(C)nn3-c3ccccc3)s2)cc1 27361287 PKZBHIXTEGXDAL-UHFFFAOYSA-N 465.629 5.497 30 20 JKED CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 59326862 ZSTDQDWOJVVUJK-RUZDIDTESA-N 463.528 5.254 30 20 JKED Cc1ccc(-c2csc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1C 105944801 OPVWKVKLRBWYLQ-UHFFFAOYSA-N 473.558 5.402 30 20 JKED Cc1ccc(Cc2cnc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)s2)cc1Cl 110892150 NEHIJHUNCGPOQY-UHFFFAOYSA-N 466.994 5.361 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ncn(Cc4ccc(Br)cc4)n3)c2)cc1 112532490 ZAGMSEHWHJMHMU-UHFFFAOYSA-N 474.318 5.005 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3cccs3)cs2)nnc1-c1cccc(C)c1 195678494 JOVHYVOHROQVSL-UHFFFAOYSA-N 453.618 5.355 30 20 JKED C[C@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 216056240 BDPRDQLBYLYCPE-VIFPVBQESA-N 495.395 5.927 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)nnc2-c2ccncc2)cc1 219880167 PVDYBYYHXKWMRY-INIZCTEOSA-N 486.626 5.179 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnc1-c1ccoc1C 255110955 PLVJURBBXLRHOV-UHFFFAOYSA-N 458.547 6.179 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1cccnc1 301819294 QGECTPLPRGOOKU-HSZRJFAPSA-N 471.586 5.397 30 20 JKED COc1ccccc1SC[C@@H](C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 303202935 MFJQZVQGDWNWHK-IBGZPJMESA-N 462.640 6.017 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)n2)cc1 481829916 JRNMQRFJDZKIHC-LJQANCHMSA-N 485.487 5.454 30 20 JKED Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1NC(=O)c1ccccc1F 487418613 POIJKZKDJXKSGZ-UHFFFAOYSA-N 470.529 5.558 30 20 JKED O=C(NCc1ccccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502921366 XVJPSVJOZRXQCD-UHFFFAOYSA-N 466.744 5.027 30 20 JKED O=C(Nc1cccc(C(F)F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503377739 RDQPTHWXHKQVHL-UHFFFAOYSA-N 484.734 6.148 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 503822484 IIVMXSMIGSAFFY-HHHXNRCGSA-N 457.574 5.481 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccccc2C(F)(F)F)cc1 507760251 RYCBANSQYJKWOD-UHFFFAOYSA-N 453.464 5.715 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 507903094 DRDWEGNZQSZYDB-UHFFFAOYSA-N 453.454 5.213 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(OCc2ccccn2)c1 509910429 KBCPVBNCDHDXIO-JOCHJYFZSA-N 492.579 6.188 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccncc1 510307368 MVNZVDPCZRMWEB-GOSISDBHSA-N 461.513 5.300 30 20 JKED Cc1cc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)nc(C(C)C)n1 510871650 IOUGWOMMWFEKCY-UHFFFAOYSA-N 470.577 5.235 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 511096673 SQNGMEQMZRBTIH-UHFFFAOYSA-N 489.522 5.101 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1 511385350 UQTDHVNQWHNKQZ-UHFFFAOYSA-N 477.948 5.120 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2OC(F)(F)F)cc1 511386517 XWWQKRVKAABCGY-UHFFFAOYSA-N 455.436 5.552 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 511416524 TYDMQFHAIPSVSK-NDEPHWFRSA-N 465.528 6.382 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(C)o2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512171816 TVQGWRVZDVNJOV-UHFFFAOYSA-N 466.544 5.884 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)c2)cc1 513627177 MAOPXELNFCYWDJ-UHFFFAOYSA-N 461.565 5.988 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1SCc1cccs1 515157214 NEKCNAREHBXVRS-UHFFFAOYSA-N 457.580 6.660 30 20 JKED N#Cc1c(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)sc2c1CCCCCC2 515447931 NQINJIYOGOHKAQ-UHFFFAOYSA-N 468.579 5.308 30 20 JKED Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)n1 515775660 PZKFEJBAAYJPFO-NFBKMPQASA-N 487.991 5.582 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c3c2CCC3)cc1 517416667 SXFWMKOJCMUFPX-JOCHJYFZSA-N 463.566 5.409 30 20 JKED CSc1nc(C)c(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)n1 519434376 WRMMITJNLCUNOS-UHFFFAOYSA-N 454.543 5.411 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(Cl)c1 519438299 CLURSHQTXYQKCF-INIZCTEOSA-N 469.916 5.571 30 20 JKED Cn1c(-c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)nc2ccccc21 520536303 ACPJGJZGTVANIE-UHFFFAOYSA-N 491.511 5.178 30 20 JKED N#C[C@@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(Cl)c1Cl 521292970 BZSAHQLRHCLVEV-MRXNPFEDSA-N 470.303 6.059 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC(F)F 521366762 RFRURAUPKBGYAW-UHFFFAOYSA-N 453.445 5.624 30 20 JKED CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@@H](C)c1ccc(F)cc1 521739064 PULNGQYBMMEBLW-AWEZNQCLSA-N 467.488 5.398 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 521740329 XAFNOQIZNVFUPH-FQEVSTJZSA-N 491.535 5.412 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(CN3CCCC3)c2)cc1 522325532 MYSKFIKIEJLLOY-UHFFFAOYSA-N 456.565 5.205 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)CC2)c1 522869831 ZBQBVBSXIDSRRO-UHFFFAOYSA-N 479.993 5.142 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 553320303 ZASKDCZLQANKBY-QGZVFWFLSA-N 488.451 5.713 30 20 JKED O=C(CCc1ccc(OC(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589306205 OJUFYGKWUYUQLT-VXGBXAGGSA-N 451.329 5.544 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(CC(C)(C)C)nn2C)nnc1-c1ccc(Cl)cc1Cl 594577011 LRXIHATZEXYFTF-UHFFFAOYSA-N 493.464 5.491 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)[C@@H](C#N)c3nc4cc(F)ccc4s3)cn2c1 596533347 MCXYMFJDFNCJGD-LJQANCHMSA-N 456.502 5.461 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 603740214 WUHZFLBBHKGTIR-UHFFFAOYSA-N 453.502 5.843 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c12 603765232 RELMTWPCYYXTJD-UHFFFAOYSA-N 466.526 5.317 30 20 JKED N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 603976706 QFWKKFALTSYPOQ-UHFFFAOYSA-N 498.280 5.328 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)COc3cccc(N4CCCC4=O)c3)cc2Cl)cc1 604027088 DCWKCSDJXFSREQ-UHFFFAOYSA-N 461.905 5.148 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604138732 GDIDJFWGKNLDJC-SANMLTNESA-N 470.573 5.396 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604139417 KUVIONDQVANAJQ-RUZDIDTESA-N 456.546 5.150 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604464921 YNVIRBSKFPSIQI-UHFFFAOYSA-N 453.498 5.256 30 20 JKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[nH]c2c1 604510364 ULRDSMDGTPNRPA-AREMUKBSSA-N 465.557 5.885 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 608876062 BZCAVODGZCOLCZ-RUZDIDTESA-N 462.509 5.164 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 608889961 RCTLTAODPOUYNA-UHFFFAOYSA-N 481.503 5.679 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 609061111 RVVHTHAGEPYQRY-UHFFFAOYSA-N 482.609 5.911 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCc1ccc(Cl)cc1Cl 609084023 QMRYYNBMIUKPBO-UHFFFAOYSA-N 468.340 5.007 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)cc2F)c1 609104480 YOVWUFQYUKLGMH-UHFFFAOYSA-N 475.907 6.156 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2C(F)(F)F)cc1 609427051 MWKWCPMYOLXPDX-UHFFFAOYSA-N 462.431 6.116 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 609439676 VGAIVQKBLKCRBX-RTBURBONSA-N 459.571 5.689 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1cscn1)c1nc(-c2ccc(Cl)cc2)cs1 613319426 DHHBNDWKZWGXSY-SFHVURJKSA-N 451.960 5.989 30 20 JKED CSc1nccn1-c1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 613403892 HYPVDUMULIEKFA-HNNXBMFYSA-N 458.490 5.713 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 613404265 OVAXSMBWTUKDON-AWEZNQCLSA-N 476.430 6.372 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)nnc1-c1ccccc1 613809517 YNCMOZYWVQNNNK-UHFFFAOYSA-N 477.615 5.302 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCC2)nnc1[C@@H]1COc2ccccc2O1 613907147 AOISMXVGYOAJHU-ZCYQVOJMSA-N 490.629 5.116 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)nnc1-c1ccc(Cl)cc1 614883919 XXZHCKPMIIYJTO-UHFFFAOYSA-N 498.052 5.434 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 618070484 KYKOYBILZPZGOD-OALUTQOASA-N 472.614 5.651 30 20 JKED COc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OCC(F)(F)F 618542096 RJPIPHLIORXJBS-UWVGGRQHSA-N 468.316 5.231 30 20 JKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618607945 FMJDPWXMHCAKPY-TXEJJXNPSA-N 494.354 5.022 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 642282077 JAWJAGWKIFOKOE-LBPRGKRZSA-N 475.473 6.020 30 20 JKED Cn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2sc(-c3ccccc3)cc2c1=O 645093346 RTFJCDIPBASLIF-UHFFFAOYSA-N 484.606 5.505 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccc2C)cn1 726118725 POBNGINKVFXFNC-OAQYLSRUSA-N 482.009 5.025 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 726409568 BPIPGKWXPHRNQY-MWTRTKDXSA-N 490.535 5.063 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1F 726409920 DVVCNZITWLXDCY-GAJHUEQPSA-N 492.576 5.259 30 20 JKED CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2ccc(COc3ccccc3)cc2)C1=O 726417192 ZGFMEPXIGBIFBB-CWHVSTADSA-N 493.654 5.024 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N/[C@H](C)c1cccs1 726420654 LZULSLLUVHRDOK-OTIFIFNVSA-N 479.599 5.086 30 20 JKED CCOC(=O)CCN1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C\c2ccc3ncccc3c2)C1 726428507 NCANHPQYXFAVQB-MFYXSQMNSA-N 477.564 5.088 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCO2 726444554 MUSKFLBBKAWKHO-UHFFFAOYSA-N 477.973 5.909 30 20 JKED Cc1ccc(C)c(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(Cc3ccccc3)cc2)c1 726570194 WNTFHCZERHNOKT-UHFFFAOYSA-O 494.640 5.688 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)CC1 727761815 CQQYSEAKXFLRCM-VWLOTQADSA-N 496.567 5.328 30 20 JKED N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 727952796 QLGRCUALAXKQFA-DRUFCSCSSA-N 459.571 5.487 30 20 JKED Cc1cc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c(C)n1-c1ccc(C#N)cc1 728266486 PHAVCTJDOVGNSR-UHFFFAOYSA-N 483.597 5.178 30 20 JKED Cc1cc(C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)c(C)n1-c1ccc(C#N)cc1 728270518 KQJSQVQQWDQNGG-UHFFFAOYSA-N 458.562 5.585 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccc(F)c(C#N)c1 728576079 IZHNTOBLVGCWMN-UHFFFAOYSA-N 490.512 5.188 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(CCCCC#N)C2=O)cc1 728780018 MPLZMFZBOTTYKL-FQEVSTJZSA-N 489.428 5.956 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)nn1-c1c(Cl)cccc1Cl 729068273 PQZQFWXEFVURMM-CQSZACIVSA-N 476.751 5.312 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ncccc2C)c1 729631484 JBKJUARXMDZWJX-QHCPKHFHSA-N 489.000 5.185 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc(-c3ccccc3)nc21 729889321 NODODPKXYKSBEZ-SFHVURJKSA-N 457.921 5.294 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 730718798 PVVBUAGUDCBRLC-JXFKEZNVSA-N 479.631 5.130 30 20 JKED N#Cc1ccc(COC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)cc1 730861690 AYLLGFSQHBACJO-UHFFFAOYSA-N 474.748 5.187 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943890 MLHOZEVIMOPWAV-YADARESESA-N 488.613 5.592 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731305121 HHSIRKQQSDCOCV-IBGZPJMESA-N 471.991 5.268 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731400447 OHXARGFZMHILBM-LJQANCHMSA-N 450.539 5.119 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2oc3ccccc3c2CSc2cccs2)cc1 742974767 IWWGXBWVGUNPLE-UHFFFAOYSA-N 462.552 5.648 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(CC(F)(F)F)C2=O)cc1 743526983 XPFSPVVTQXOSEZ-SFHVURJKSA-N 483.487 5.055 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2c(F)cccc2Cl)C1=O 745581328 MCAAOFNKAICWNB-INIZCTEOSA-N 474.772 5.054 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)C2CCCCC2)cc1OC 747003897 ULWXHUVILJFRNL-WQLSENKSSA-N 457.954 5.537 30 20 JKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 751268734 DRLHEOBOONMYCS-HXUWFJFHSA-N 463.946 5.353 30 20 JKED CC(=NNc1ccccc1C(F)(F)F)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 751373922 PTRMXUUSJVXDCT-JOCHJYFZSA-N 481.478 5.303 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 769527196 RYJKDLBBGQKSKN-UHFFFAOYSA-N 492.409 5.662 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CC(F)(F)F)C2=O)cc1 799220691 GSUVECCNHUYDNK-MRXNPFEDSA-N 455.889 5.171 30 20 JKED COc1ccc(-c2nc(SCC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)nc(O)c2C#N)cc1 824954913 UACROIUYOAUNGB-UHFFFAOYSA-N 488.544 5.251 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 837713137 VHZNMKMWLGFGSS-VFNWGFHPSA-N 482.968 5.596 30 20 JKED N#Cc1ccccc1Oc1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1Cl 856572380 BJRQNWRJTTXHMZ-HXUWFJFHSA-N 476.964 5.950 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)nc(O)c2C#N)cc1 857991605 LGPSJKGWBLRFTN-NSHDSACASA-N 475.357 5.156 30 20 JKED CC(C)c1ccc(Nc2nn(CN3CCN(c4oc(C5CC5)nc4C#N)CC3)c(=S)s2)cc1 914850117 AWCCACOETJIVAQ-UHFFFAOYSA-N 481.651 5.058 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 915106234 AARXCWUGCRZCAE-FPOVZHCZSA-N 458.468 5.169 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 915515043 LSWHUYUOCOHZIP-UHFFFAOYSA-N 478.545 5.460 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 916949127 MEQIMWDQEZMCFX-IIBYNOLFSA-N 464.953 5.574 30 20 JKED CCCCCn1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)c2ccccc2c1=O 916956005 WSLQUXBCOCOVTB-JPYJTQIMSA-N 458.562 5.061 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)s2)c1 917696512 PMYIFDWBKHUQEB-QFIPXVFZSA-N 492.626 5.175 30 20 JKED C[C@@H](Cc1ccccc1Cl)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 918268562 FHDAMXYOOTWFPA-KKSFZXQISA-N 466.368 5.335 30 20 JKED COCCOc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 918713236 GPRBNDGNXLYCBT-HJWRWDBZSA-N 463.477 5.759 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2c(F)cccc2F)ccc1Cl 920007575 PTGWFVRJGPABPF-UHFFFAOYSA-N 476.932 5.276 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(N3CCCCC3)c2)nnc1-c1ccc(Cl)cc1 920007737 MINFFEIZQLSPKQ-UHFFFAOYSA-N 468.026 5.506 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)nc1C 920032090 MGMGMSLIQMSECK-NSHDSACASA-N 467.542 5.336 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3cc(C)no3)n2)cc1 920140905 CTMQPFDILPFDCV-HXUWFJFHSA-N 461.568 5.898 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)c12 920681219 KRPNWJBXCNLXIL-SFHVURJKSA-N 486.528 5.236 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccccc4Br)CCC3)cc2)C1 1785810250 JGHWBNJBUWOPGC-UHFFFAOYSA-N 483.406 5.318 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4C4CC4)cc3)CCC2)ccc1Br 1786056510 KOIZSEWYELXVED-RTWAWAEBSA-N 478.390 5.115 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCCC3(F)F)CCC2)cc1 1786366267 XRCDYTXQLFORNG-QHCPKHFHSA-N 452.517 5.021 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)CCC2)cc1 1786679472 JLYHSFNKGSJVQB-UHFFFAOYSA-N 481.021 5.397 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H](Cc3ccsc3)NC(=O)OC(C)(C)C)cc2)CCC1 1786927458 JVSJROGGHRWOCI-JOCHJYFZSA-N 497.661 5.284 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CCC2)cc1 1787889087 IJYOOYPWMYZEAL-OAQYLSRUSA-N 474.992 5.679 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)cc2n1 1788322850 SGAFCVGFQJWFAY-UHFFFAOYSA-N 464.525 5.264 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c(C)oc4cc(O)ccc34)cc2)CCC1)C(F)(F)F 1789024374 QFBXODVWURZRMW-UHFFFAOYSA-N 458.436 5.313 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789154164 MPDKCDYLTBOSAK-UNNDTZEGSA-N 475.976 5.290 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4ncncc4c3)cc2)CCC1 1789323480 CQDQYBFBQSDIGD-UHFFFAOYSA-N 484.676 5.429 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)CCC2)cc1 1789456564 WSLNBHYVISOVHW-KNQAVFIVSA-N 469.626 5.144 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)Cc3ccc4ccccc4c3)CCC2)cc1 1789577155 BXXFCOFHOUCLKQ-NDZAJKAJSA-N 465.553 5.229 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1)c1ccccc1 1789601798 DKSVAOWMHOAGDI-QHCPKHFHSA-N 450.529 5.363 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ncc[nH]5)cc4)CCC3)cc2)cc1 1790290753 CSJWWWHUOVETPG-UHFFFAOYSA-N 461.525 5.010 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)ccc5[nH]4)CCC3)cc2)cc1 1790707139 DXTKNSUTFOWSEW-UHFFFAOYSA-N 466.516 5.435 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1)C(F)(F)F 1791302898 FXNHDICGZASVNZ-ACIOBRDBSA-N 483.534 5.617 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c(Cl)cc4F)cc3)CCC2)c1 1792175031 VZWOOGWMXXAPOP-UHFFFAOYSA-N 471.319 5.394 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(OC(C)C)c(C#N)c3)C4)c[nH]c2c1 1804522466 DXXWGEIJEQHCLK-KOOJPFLFSA-N 496.611 5.100 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4c[nH]c5cc(Cl)ccc45)CC3)C2)c1 1805328163 DYSVEPLTSDQTPX-UHFFFAOYSA-N 489.019 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c4ccccc4n4ccsc34)CC2)C1 1805456399 TYEVGNUZWGQFPM-UHFFFAOYSA-N 475.658 5.767 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Br)cs2)[C@@H]1c1cccnc1 1808472958 ZFRPIDMDSILCQU-XLIONFOSSA-N 490.467 5.218 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 1810962362 JYJJGGOSLRWBNH-XPIZARPCSA-N 479.930 5.286 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811459503 LQNBKQCYDVRSFL-BOCKYXSRSA-N 490.406 5.616 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 1811935861 GHXVXYCXVBRYLJ-YWEHKCAJSA-N 474.564 5.048 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[nH]n1 1814826919 KKCJMHNCVKGADF-LGTAVNIZSA-N 487.648 5.548 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)[nH]n1 1814828335 HAHDNNBLDOQIDZ-IBGZPJMESA-N 466.973 5.014 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(Br)nc2C)[nH]n1 1814828641 BPZWECABXMRNIF-INIZCTEOSA-N 492.443 5.011 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CC(C(F)(F)F)(C2)C3)n[nH]1 1815345431 QGMGUKRYOOOMOX-XDGVHFHYSA-N 452.521 5.127 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815587888 PZYJDQXZZLZVSD-RSXGOPAZSA-N 489.664 5.082 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1815653802 MKYWWENZYPIFPM-GOSISDBHSA-N 472.014 5.078 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)cn1 1816373886 ULSAQQKZDIKECZ-HHHXNRCGSA-N 489.579 5.133 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)cn1 1816373889 ULSAQQKZDIKECZ-MHZLTWQESA-N 489.579 5.133 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817947164 BRDFBACJIDNOQP-HXUWFJFHSA-N 465.985 5.352 30 20 JKED N#Cc1ccc(CCC(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4cc5ccccc5o4)sc3C2)cc1 1818631745 WPQKSLWGRWXNIB-KVDXNUTJSA-N 496.592 5.019 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818812813 PWGLAIBFFOMYDN-UTEMQFSSSA-N 458.562 5.630 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)[nH]n1 1819305654 MQDVVZOQCZWMQO-DHLKQENFSA-N 499.615 5.555 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384882 DQZUCAMIPHPJEB-OOPWQZCMSA-N 480.685 5.458 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)c1 1821033190 UOERRVDYBUWRGE-PEBXRYMYSA-N 497.933 5.588 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)[nH]n2)c(Cl)c1 1821275020 VEMLPNYVZIYTEJ-JOCHJYFZSA-N 491.954 5.112 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4nc(C)ccc4c3)[nH]n2)c1 1821325441 XRILTSQSBBDZIM-RUZDIDTESA-N 478.556 5.066 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)cc2s1 1821440356 GYGMNRYEECTEDA-LKGOPFMKSA-N 493.614 5.067 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)sc2C1 1823073852 MEJPBJBOZKRXOH-LCCNYURCSA-N 490.629 5.027 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c1Cl 1823183960 QWMTURLIBIHNNA-OAQYLSRUSA-N 461.953 5.057 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823216312 GWXCPZHHZWNZPZ-VGSWGCGISA-N 475.980 5.618 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)[nH]n2)cc1C#N 1823290524 VMPPPNOCGBSOLK-XMMPIXPASA-N 497.599 5.106 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823309721 FEZHBSZRMJMQBT-IRXDYDNUSA-N 499.826 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC3CC3)c(F)c2)n[nH]1 1823321534 FUUYEAKELLICNX-NZQKXSOJSA-N 480.584 5.412 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(NC(C)=O)ccc2Cl)n[nH]1 1823328346 VGMZABFIGQWLCW-AVRDEDQJSA-N 484.000 5.096 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)cc1 1823682732 LBLDLAGEWNAFDH-MHZLTWQESA-N 496.611 5.079 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)c(F)c2)CC1 1823988811 TVYNSGVKFYRVDW-QPPBQGQZSA-N 461.021 5.410 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)C#Cc4ccc(Cl)cc4)CC3)cc2n1 1824055528 OMVDUEJETIDBNG-XMMPIXPASA-N 490.003 5.075 30 20 JKED Cc1cc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)ccc2[nH]1 1824361360 ORJKXRIHMIQJFQ-VFNWGFHPSA-N 483.597 5.100 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1824957621 PCZKPRVKZWWLBZ-IBGZPJMESA-N 478.083 5.102 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)s2)CC1)c1ccc(O)cc1 1825352117 QRXIVPHFKYNRHZ-GMAHTHKFSA-N 482.621 5.023 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cscn2)CC1 1825988096 JWFUVXZNADMYHK-HHHXNRCGSA-N 483.637 5.090 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)CC2 1826427149 OAEQNYQGFYPLOO-QGZVFWFLSA-N 481.021 5.073 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C#CC4CC4)CC3)c2c1 1827298968 FAXBJRJRWUCQEY-RUZDIDTESA-N 490.644 5.287 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827997020 MIMZWYNOWUWCFE-NDEPHWFRSA-N 480.612 5.439 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)cc2c1 1828525779 YOWREGFZGHAUBI-VWLOTQADSA-N 485.584 5.055 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829869806 ZUOQVWJFQYTUEI-YKSBVNFPSA-N 490.673 5.368 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830442687 YNDBTFQYWHKIQQ-IGKIAQTJSA-N 482.640 5.616 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830506486 DFMIURLMGNHHRJ-DEOSSOPVSA-N 467.972 5.206 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601989 NBKBXRLODFJKAV-GIGWZHCTSA-N 499.655 5.121 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830628200 PNMXBFFKJPSOFZ-RUZDIDTESA-N 464.009 5.262 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OCc3ccccc3)c(OC)cc2C)CC1 1830731334 QSMCWBQYRUPODZ-AREMUKBSSA-N 490.644 5.392 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)cc(C(F)(F)F)c1 1830756758 VEEFVBWSWNMNAF-IBGZPJMESA-N 493.913 5.371 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1831446822 IQBRSZKRIRUIJH-JOCHJYFZSA-N 498.655 5.500 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832631279 BWBQIPIWOUFTBA-RQUPSUDSSA-N 473.617 5.552 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3c[nH]c4ncccc34)CC2)c1 1832635922 YZFFBWTXFAWSPX-IDISGSTGSA-N 497.643 5.056 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3ccccc3C#N)CC2)s1 1832793405 XHUMURPNQMLQTF-QFIPXVFZSA-N 493.673 5.230 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCC(=O)OC)C2 1841320894 HXGKIZMXIKVDLH-UHFFFAOYSA-N 460.659 5.032 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1 10173562 VNMANTQPPCOECH-UHFFFAOYSA-O 457.663 6.590 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 10239706 UWULAOMDHNQEGG-MRXNPFEDSA-N 459.962 5.579 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(OC)cc1 20167039 JJMVZZAEIARYGF-INIZCTEOSA-N 477.615 5.383 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1cccc2ccccc12 21140626 INNAOWDEZYUDST-QGZVFWFLSA-N 462.550 5.455 30 20 JKED Cc1sc2nc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n(C3CCCC3)c(=O)c2c1C 24018690 ZWNWFAIHGFVFHE-AWEZNQCLSA-N 498.699 5.731 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 26131756 GETRRMVTMKGYLS-UHFFFAOYSA-N 456.567 5.453 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1C#N 27062857 QVZBDTBDGRRMIW-UHFFFAOYSA-N 499.017 5.259 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)ccc1Cl 29357466 YLPMQAQVYFCBTJ-UHFFFAOYSA-N 477.373 5.303 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)c3oc4ccccc4c3CSc3ccc(Cl)cc3)CC2)c1 30940730 QNKHCVRSEKMGQH-UHFFFAOYSA-N 489.000 5.608 30 20 JKED CCc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 33197450 ULQWKOKZOSOALK-RYUDHWBXSA-N 451.386 5.213 30 20 JKED C=CCn1c(SCc2nc3ccccc3n2-c2ccc(OC)cc2)nnc1-c1ccncc1 302936267 IGVPVAWFXBVTEK-UHFFFAOYSA-N 454.559 5.166 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 302945206 CLTXCEQMCLVTNZ-UHFFFAOYSA-N 462.859 5.175 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 409765208 RMLKFECVIQHFEL-OAQYLSRUSA-N 455.283 5.227 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)cc2F)c1 481664170 XXZBALKVXURHNI-NRFANRHFSA-N 457.427 6.092 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)n2)cc1 481829884 JRNMQRFJDZKIHC-IBGZPJMESA-N 485.487 5.454 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2COC)nnc1-c1ccc(Cl)cc1Cl 481856018 MBBXPDZQLOJFFB-UHFFFAOYSA-N 463.390 5.315 30 20 JKED CC1(C)CC[C@@H](NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc21 486998005 QBYBRQXSWCIJRV-AREMUKBSSA-N 467.569 5.199 30 20 JKED CCc1nc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)nn1-c1ccccc1Cl 498343957 IFRHCBZKCZBFSS-UHFFFAOYSA-N 458.909 5.103 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Sc4ccccc4Cl)cc3)CC2)c1 502604545 SYLIFLGSQXDTBN-UHFFFAOYSA-N 491.016 6.245 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1 506015869 ZGDQAKUCDMOVEW-BXKMTCNYSA-N 487.991 6.162 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 510872827 PJWZXGIJZTUSIU-UHFFFAOYSA-N 459.521 5.668 30 20 JKED C[C@H](c1ccccc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nc2ccccc2c1=O 514298664 DESPVENLOPSWNJ-MRXNPFEDSA-N 474.973 5.262 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nc2cc(Cl)ccc2c1=O 514364021 SWPKJFAWUSELGN-LLVKDONJSA-N 452.338 5.148 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)nnc12 515482126 PCQQJYJBZFRVPH-SFHVURJKSA-N 481.581 5.336 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)n1 516793149 JJBWPWDNXCTBAK-CYBMUJFWSA-N 473.963 5.086 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 517465610 NMUWTSGNTLZILS-YCRPNKLZSA-N 486.435 5.297 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3oc4ccccc4c3CSc3ncccn3)cc2)c1 517511916 YUYRLKAEWGUNAJ-UHFFFAOYSA-N 478.533 6.431 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 517737752 UQTYNFONVFOOMX-UHFFFAOYSA-N 472.960 5.866 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 518130738 XSAOWAOPJWRXJX-HNNXBMFYSA-N 494.642 6.480 30 20 JKED Cc1sc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc1-c1ccc(Cl)cc1 518166100 VGXFGJCXDYBGLG-AWEZNQCLSA-N 457.024 6.345 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3CCN(c4ccc(Br)cc4)C3)s2)cc1 518389125 GFPNINDTAMLPMM-SFHVURJKSA-N 496.434 5.016 30 20 JKED COc1ccc(NC(=O)c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)cc1 518902353 MOPTVQVRJHUQNJ-UHFFFAOYSA-N 493.567 5.594 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 519106057 NBSRXOTVOOXJIR-AOMKIAJQSA-N 481.980 5.833 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)nnc1-c1ccc(Cl)cc1 520697992 AECHRYSYOLNMQU-IFMALSPDSA-N 487.000 5.052 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 520940122 FNBMXZRNVNTCHY-SJLPKXTDSA-N 482.009 6.196 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1 522222530 NJEJZKSOPBGAGZ-QFIPXVFZSA-N 493.361 5.010 30 20 JKED C[C@H](Sc1ncccc1C(=O)Nc1sc2c(c1C#N)CCCCCC2)C(=O)N1CCCC1 522393144 VMZKQZNWGZFYHV-INIZCTEOSA-N 468.648 5.029 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSCC(=O)Nc3ccc(F)cc3)cc2Cl)c1 524250465 BYSPINMOFWYYNG-UHFFFAOYSA-N 483.952 5.240 30 20 JKED C=CCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 524316840 ASQZTFSZSKRJCA-UHFFFAOYSA-N 486.018 5.110 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)c1 524414251 RCPWOQQOXGNPSR-JOCHJYFZSA-N 473.960 5.282 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(NC(=O)C4CCCCC4)CC3)cc2Cl)c1 524440992 MFBZMWICLXKZTF-UHFFFAOYSA-N 495.023 5.483 30 20 JKED CSc1nnc(CCCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1C1CCCC1 553319971 KVUBQIZJMJDCDN-UHFFFAOYSA-N 476.606 5.533 30 20 JKED Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2ccc(Br)cc2)n(Cc2ccco2)c1C 555655601 JKXYLRLDTZEZNF-JOCHJYFZSA-N 481.394 5.156 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 590235362 ZFQWOWBLUCKFHX-UHFFFAOYSA-N 497.168 5.459 30 20 JKED C=CCN(C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1nc(-c2ccccc2)cs1 591666631 NFIODIAIEBZXOO-UHFFFAOYSA-N 453.567 5.920 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)cn2)c1 603691303 ODIXCPJVFYVYLU-UHFFFAOYSA-N 461.953 5.139 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)cc1 603746262 GKLQNNMAKFIXHA-HHHXNRCGSA-N 477.612 5.089 30 20 JKED COc1cc(I)c(Cl)cc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 603937954 GHKUECHQKLVRBR-SNVBAGLBSA-N 468.703 5.053 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2)c1 603995643 PVDQKFWEKDRKOV-MHZLTWQESA-N 488.547 5.310 30 20 JKED CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCO[C@H]1c1ccccc1 604520786 QAITYYXYGMFRCY-CPJSRVTESA-N 451.636 5.317 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1C 608879166 QOIGODLJFIDSMA-UHFFFAOYSA-N 457.578 5.027 30 20 JKED CN(C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)c1cccc(C#N)c1 608940087 NHMCIGXTNRZFSM-UHFFFAOYSA-N 478.396 5.547 30 20 JKED COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078429 QBJIMSWOSYUAMW-UHFFFAOYSA-N 457.574 5.743 30 20 JKED CCOc1ccc([C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2ccccc2)cc1 609212491 QWKSKYPEPYVCRY-HHHXNRCGSA-N 455.558 5.299 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)O[C@@H](C)C2 609355453 BSQNCNFWLFBZQS-XPEQFSOGSA-N 496.567 5.210 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 609370869 DWIFVZSQYHNHRS-KRWDZBQOSA-N 490.614 5.106 30 20 JKED Cc1cc(N2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)nc(C(C)C)n1 610910272 QEDCISOGDGXUES-UHFFFAOYSA-N 471.630 5.035 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 612169176 AQNWCIRBFPKCGT-UHFFFAOYSA-N 495.376 5.245 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)n2)cc1 613319210 VYKCNRNTXMRUHE-QHCPKHFHSA-N 472.591 5.583 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccc(F)cc1 613936305 FXEUQLPJBOLNRI-INIZCTEOSA-N 450.539 5.328 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)Nc1ccccc1-c1ccccc1 725763307 JGKZBHONXDQSQE-UHFFFAOYSA-O 496.656 6.521 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cccs2)cc1Cl 726408263 DJFYQPOAOOGWCY-OAQYLSRUSA-N 495.029 5.111 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC2CCC2)cc1Cl 726408500 FOUUSBISRNWVIZ-HXUWFJFHSA-N 470.957 5.111 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC)Cc2ccoc2)ccc1Cl 726512037 LZCGSLRZBBCMCR-UHFFFAOYSA-N 493.412 5.630 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1C 726545124 GOOUHMXTYMZHAY-UHFFFAOYSA-N 485.588 5.631 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)COc1ccc2cc(Br)ccc2c1 726754843 UAHXNIBXRGJDDH-UHFFFAOYSA-N 460.331 5.117 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccccn2)cc1Cl 726892357 UAGOJTOWRRRRSG-OAQYLSRUSA-N 498.967 5.043 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1Br 728063022 ZXXBSIUYRDZFEK-HNNXBMFYSA-N 484.781 5.992 30 20 JKED Cc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1NC(=O)c1ccncc1 728192609 BPLGABFWAGBCGN-UHFFFAOYSA-N 480.499 5.484 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OCc3cccnc3)cc2)c1 728553548 ZVOMNTQWNWUCLW-UHFFFAOYSA-N 494.576 5.515 30 20 JKED C=CCn1c(-c2cccnc2)nn(CNC2(c3cccc(Br)c3)CCC2)c1=S 728709687 WOQVVCXSTZXKHP-UHFFFAOYSA-N 456.413 5.051 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccccc1F 728777628 LSFDUGHDVDYRRJ-LJQANCHMSA-N 493.391 5.787 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)c1 728780333 QTYZUXKELPEBIN-OAQYLSRUSA-N 482.968 5.115 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3scnc3C)C2=O)c1 729144046 UGUILCYABPYFLT-JOCHJYFZSA-N 492.670 5.846 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729144587 DTXZOCWHJJMZNL-JOCHJYFZSA-N 492.670 5.846 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1C 729634455 MLKZRGOSKJHOIH-QHCPKHFHSA-N 476.577 5.306 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 730566519 SNTJBFDOHZTSAK-UHFFFAOYSA-N 483.937 5.466 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943612 HHRAWMMNUUXVDR-MBSDFSHPSA-N 474.586 5.202 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 731029161 XRQQXHNFUNXEHR-PMACEKPBSA-N 472.614 5.480 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 731081193 ZHENKGSJTSHICK-BMFZPTHFSA-N 463.386 5.673 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c1 731312532 MNGLVQOPPOTVFJ-HXUWFJFHSA-N 469.563 5.062 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)(C)C)CC2)c1 743523845 DRJIZAINKTZFBO-QHCPKHFHSA-N 496.652 5.357 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc4cccnc34)C2=O)c1 744997861 WSAYXWSYMWDMSR-DEOSSOPVSA-N 496.592 5.404 30 20 JKED N#Cc1ccccc1/C=C/C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 747386360 KZNFPPJCLLOYCI-VMPITWQZSA-N 463.412 5.536 30 20 JKED CC[C@](C)(C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 749613771 YJDQFNBOHRFZGY-RUZDIDTESA-N 482.005 5.158 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 750686123 DTCRUEVVUPUJOP-UWJYYQICSA-N 468.985 5.374 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(F)(F)F)cc1 799220385 AXZYJVNVUXAXCE-SFHVURJKSA-N 465.497 5.182 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(NC(=O)OCC)ccc23)nc2sc(C)c(C)c2c1=O 802506386 QPIBCQZNXYMFBR-UHFFFAOYSA-N 497.598 5.228 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N 825325209 CXIUXUDHHKSEHK-LJQANCHMSA-N 485.565 5.210 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2C)C1=O 837513164 ASWRIXWLQIBALP-HSZRJFAPSA-N 459.571 5.164 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 838094080 LWCNLSXABZBFNB-HXOBKFHXSA-N 492.576 5.341 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCN(C4CC4)CC3)C2=O)cc1 838231311 KHDTYZIHHMTSQE-DEOSSOPVSA-N 494.636 5.030 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1CCc1cccs1 840188773 RUHXSINPUBUJTI-RUZDIDTESA-N 470.598 5.458 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(Cc3cccc4cccnc34)CC2)cc1 849367235 KLKJBCOEYQJQKK-UHFFFAOYSA-N 478.621 5.357 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3cccc(OCc4cccnc4)c3)no2)nnc1-c1ccco1 904504685 AOSNOWWHJJASGA-UHFFFAOYSA-N 486.557 5.431 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(NC(C)=O)c1 913120735 NROFBCJDLPJMRC-GOSISDBHSA-N 493.416 5.322 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)cc1 913365732 MNJRCDSDINCTHV-UHFFFAOYSA-N 476.476 5.768 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)cc1 915101010 AGYGIKUPKSWAPI-CTNGQTDRSA-N 463.990 5.501 30 20 JKED C=CCn1c(SCC[S@@](=O)c2ccccc2)nc2cc(-c3ccccc3)sc2c1=O 915993316 GFTMNCFEFKLYAR-SSEXGKCCSA-N 452.626 5.211 30 20 JKED COc1cc(/C=C\C(=O)c2cccs2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916137035 ITNRXUPNIHGXDN-NTMALXAHSA-N 461.461 5.689 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 916211204 LXWGUYMQGSNKEZ-MRXNPFEDSA-N 452.338 5.279 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2Cc2ccco2)cc1 916214247 LTYJIICVULGSTR-HSZRJFAPSA-N 493.585 5.238 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C 916214758 AGMNUDDJBHQEII-HSZRJFAPSA-N 461.587 5.145 30 20 JKED Cc1nc2ccccc2c(=O)n1N=Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 916542063 RTNMTWDNDPEUJD-UHFFFAOYSA-N 453.933 5.152 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc(C(C)=O)cc1)c1ccc2c(c1)OCCO2 916546947 QNLNTHBRBHAWOA-UHFFFAOYSA-N 474.582 5.629 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916917827 KCDJDOJOHZQMFE-AUUYWEPGSA-N 453.361 5.430 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 916926230 WEIRZWYIQNPFEW-SFHVURJKSA-N 492.919 5.220 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC 916934890 JITRYDYVEPVIEI-OFVILXPXSA-N 495.000 5.527 30 20 JKED CCc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2c(C)nc3sccc3c2=O)cc1 917580775 RZFPKRISNGIFRH-UHFFFAOYSA-N 453.571 5.123 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)n(C)c2C)cc1 917612332 QMUDSAOQDZCONP-UHFFFAOYSA-O 459.639 6.028 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn(-c2cccc(Cl)c2)c1 918486608 DHSSKLRITUVIJQ-NRFANRHFSA-N 456.889 5.279 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)c1C 919088577 NZOTYXAHAZFDRG-UHFFFAOYSA-N 493.947 5.214 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 919825557 LZBCHWWVNCSOAT-UHFFFAOYSA-N 483.977 5.287 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2cc(Br)cs2)no1)c1nc(-c2ccccc2)cs1 920113748 NGDDJRLNHBYHEV-CQSZACIVSA-N 485.388 5.493 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cc(C)on3)C2=O)cc1 920356129 OACNFGGJBOEAJG-HXUWFJFHSA-N 468.966 5.105 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(C)C)c1 920359751 QYGCSMGSMFVKRJ-QHCPKHFHSA-N 476.602 5.575 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(C)C)c1 920871461 TUPMDILWNYAWPH-JPYJTQIMSA-N 483.634 5.061 30 20 JKED C[C@H](/N=C/c1cc(Br)cc(Br)c1O)c1ccc(N2CCOC2=O)cc1 920941921 ZUTGISTVLUMBDP-JYQBEENSSA-N 468.145 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C1 1783063231 HQUCKWXEAPWYHQ-WSCWJOSJSA-N 499.866 5.543 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)ccc1F 1786244856 PKRDRVMMJURNJO-UHFFFAOYSA-N 469.507 5.199 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3(F)CCCCC3)CCC2)cc1 1786546294 OSPUXULGKNZSCP-NRFANRHFSA-N 487.616 5.262 30 20 JKED CC(C)(C)OCC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1786636715 KQWXLKIFEGPYJA-UHFFFAOYSA-N 473.495 5.140 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cc(F)ccn4)cc3)CCC2)c1 1786824306 WSZQNQWXJTUUEP-IBGZPJMESA-N 470.548 5.228 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4coc(Cl)n4)cc3)CCC2)cc(C(F)(F)F)c1 1787108423 KEHDPWARSUIZBB-UHFFFAOYSA-N 488.853 5.280 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)nc1C 1787172554 GXJRKPLCVCRSAO-IBGZPJMESA-N 452.558 5.387 30 20 JKED CC(C)c1cc(Br)cc(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)c1 1787888813 BYCKXUJHFXCJRQ-UHFFFAOYSA-N 468.395 5.624 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5[nH]ncc45)cc3)CCC2)c1 1788441979 FRIDEJBRRPOFFX-GOSISDBHSA-N 463.541 5.251 30 20 JKED COc1ccc2c(c1)CC[C@H](CC(=O)Nc1ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc1)C2 1789166067 NOJJFQBKAPTTQL-ABMUTNKWSA-N 499.611 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)cc3-n3nccn3)cc2)CCC1 1790097773 PLXIGZNWZUZAGP-HSZRJFAPSA-N 469.589 5.092 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)n3cccc3)CCC2)cc1 1790519659 RPSNFGRXMZGFJZ-NZQKXSOJSA-N 494.636 5.043 30 20 JKED O=C(Nc1ccc(C2(NC(=O)c3cnco3)CCC2)cc1)c1ccc(C#Cc2ccccc2)cc1 1790690565 YSGKMLSIHIBCLC-UHFFFAOYSA-N 461.521 5.136 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790787453 MBXRFXJHKZSNJY-UHFFFAOYSA-N 453.464 5.128 30 20 JKED COc1ccc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1 1790836591 OYKPOPKLUYPZSB-UHFFFAOYSA-N 499.958 5.158 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H](C)CN(CC)CC)cc2)CCC1)c1ccc(O)cc1 1791071293 VRRLKLICZMWSEB-LADGPHEKSA-N 489.660 5.001 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(OC)c34)CCC2)cc1 1791300157 CUBCMTFDEXFCOQ-UHFFFAOYSA-N 453.489 5.136 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Br)cc3)CCC2)cc1 1791593209 JOWKWVAXGFMRRF-UHFFFAOYSA-N 471.395 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)nc5n[nH]cc45)CCC3)cc2)c1 1792123989 XFDRRHUTMOWRSQ-MRXNPFEDSA-N 498.974 5.300 30 20 JKED O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1792173154 UXSBKQSFPDTSMC-UHFFFAOYSA-N 462.365 5.545 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)C[S@@](=O)C(c3ccccc3)c3ccccc3)CCC2)cc1 1792262638 LNBCKMOPPCCCGE-PSXMRANNSA-N 498.648 5.072 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](CC(C)C)N(C)C(=O)OC(C)(C)C)cc2)CCC1 1792345810 OHGQUROILTYZBD-HSZRJFAPSA-N 483.653 5.206 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1C#N 1797779273 PKWDZQUIJSWAJA-VMAPGKTHSA-N 492.019 5.054 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Cl)cc(C(F)(F)F)c1)C2 1798337134 DHAJIDIVLNBDAK-WOZUAGRISA-N 468.947 5.308 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(C(F)(F)F)c1 1800465640 JSCFQUDGPXQDIC-XMTFNYHQSA-N 454.920 5.379 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)[C@@H]2c2cccnc2)C1 1802416197 HPOHUKFNRLJMPG-MUAVYFROSA-N 492.623 5.495 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1802495746 DUGNCLDBYIPBQS-BKMJKUGQSA-N 470.617 5.250 30 20 JKED Cc1cc(Br)sc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1 1803680494 FZSOBFCHPWQVHU-DQEVTTJGSA-N 486.435 5.012 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4n[nH]c5cc(-c6ccccc6)ccc45)CC3)C2)C1 1804778179 WIDDHVBTTRXVGW-UHFFFAOYSA-N 468.601 5.041 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC2(CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)C1 1805059657 VDQMNFCNQNQKBJ-UHFFFAOYSA-N 456.678 5.030 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc(F)cc4F)C3)CC2)c(Cl)c1 1806469327 DBYCQJZHHYKLEV-QPJJXVBHSA-N 483.946 5.048 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CC3CCC(C)(C)CC3)[C@H]2c2cccnc2)c1 1808904475 OZPBPVNTDDWYKF-SHQCIBLASA-N 472.633 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c(OC)c(C)c2)[C@H]1c1cccnc1 1810504512 ZVZHBKUSGJCQNC-VWNXMTODSA-N 463.622 5.019 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccccc2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811251935 QDXRLVWMACGHFN-KYJUHHDHSA-N 485.587 5.115 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)c1 1811722854 SPXPRNZMKHQJCD-MDUJKUHBSA-N 488.607 5.018 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1811788670 YSGXBKUFAPLYKO-CVDCTZTESA-N 499.011 5.264 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1ccccc1 1811818295 INCKHZNAJSYWEF-URORMMCBSA-N 486.015 5.252 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812221686 SWTWFCJZARPZRC-SIKLNZKXSA-N 469.557 5.136 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1813057795 ICSYLSJTBPELIZ-RBISFHTESA-N 466.585 5.105 30 20 JKED N#CCC(=O)N1CC[C@H](CNC(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814162892 XYQBMRPJLXQRDO-GGXMVOPNSA-N 474.649 5.365 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)C#CC4CC4)n[nH]3)c2c1 1815116201 CZYFYMBSNVYQJB-JOCHJYFZSA-N 488.588 5.082 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[nH]n1 1815656175 JRLIRUZAEQOGEZ-UZLBHIALSA-N 494.583 5.230 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(OC)c2)n[nH]1 1817741854 XIRPEINUIOEALO-RDGATRHJSA-N 499.615 5.555 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817745437 KXCZWMFCDQXNMZ-AUSIDOKSSA-N 457.578 5.298 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)c2[nH]1 1818649465 PNUBAQBKIBHBIQ-DEOSSOPVSA-N 480.572 5.010 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNc2ccccc2C)[nH]n1)c1ccccc1 1819517998 DBTAVKXUTLHYCH-JYFHCDHNSA-N 483.616 5.020 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1)C(F)(F)F 1820091401 HKXYHSAGMBAGFL-SFHVURJKSA-N 497.477 5.575 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1 1820910172 CXAJXSJZFLHYCM-CTNGQTDRSA-N 487.645 5.008 30 20 JKED CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CCCC1 1821308641 YHRHADUDKKJYTA-IBGZPJMESA-N 473.499 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)cc2F)n[nH]1 1821328878 VOHGJRIMMRFHJV-CVDCTZTESA-N 468.573 5.410 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1cccc2c1oc1ccccc12 1821612113 XFXCAEAAHRKHPP-MSHUQIKOSA-N 495.539 5.327 30 20 JKED Cc1ccc(C)c(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1822051180 PHPJPURZQHTORG-NBGIEHNGSA-N 469.589 5.202 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)n1 1823212351 UWDAISSFRBGYAP-IIBYNOLFSA-N 476.606 5.236 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)c2c1 1823215427 RGZYUIXZMJMVJI-NSYGIPOTSA-N 496.571 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2OC(F)F)n[nH]1 1823264404 PRGMRABZZDZDMX-VQIMIIECSA-N 458.509 5.085 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c[nH]c4cccc(Br)c34)CC2)C1 1823698102 IYJNNZFNEJYUMF-HSZRJFAPSA-N 498.465 5.059 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C)CCCC3)CC2)cc1C#N 1823849328 XIHNTNNTRJCVHW-DEOSSOPVSA-N 465.638 5.159 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828165997 BZCMCDMQBAJBRD-NRFANRHFSA-N 475.967 5.333 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1828341610 KJGZYAAJWYTOFG-RGPPVUSESA-N 496.698 5.207 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3cccn3)cc2Cl)CC1 1828827435 MXKVOACBFPJXLO-JYFHCDHNSA-N 495.067 5.527 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1828827650 QMCCEMOFQSCZTL-GBXCKJPGSA-N 483.056 5.147 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1)c1ccccc1 1829029698 FFCQKPHROXEPHB-IZZNHLLZSA-N 484.631 5.629 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC)cc2)CC1)c1ccccc1 1829032204 GCKJPGRAIXAITA-WUFINQPMSA-N 471.645 5.159 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)c1 1829419666 XTZCOFRFBODTOW-DEOSSOPVSA-N 484.625 5.229 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1829664870 QNDSUFYKUGYUGZ-AHWVRZQESA-N 481.656 5.428 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(F)c3F)CC2)c1Cl 1829691929 AISYJHWSSRNWRX-OAQYLSRUSA-N 489.925 5.176 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1F 1830720751 GNVSYWUFOWLGNF-HSZRJFAPSA-N 467.972 5.206 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)cc2s1 1830889192 HXNVVOYTPHWYEJ-QQUYBBDPSA-N 495.670 5.272 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Br)c3ccccc23)CC1 1831858492 RVHMYUFAMYMJQI-QHCPKHFHSA-N 499.449 5.177 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832031014 CUKBOGUFTMGGSL-QFIPXVFZSA-N 466.519 5.271 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1832168269 JEJNWUKPXMDDRT-PGRDOPGGSA-N 497.064 5.021 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(F)(F)F)nc4ccccc34)CC2)CCC1 1832784357 MMHJEDDHJKRIIT-QFIPXVFZSA-N 498.549 5.181 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)CC1 1836696623 LSRMGQDYOFXOCE-ZDJNHPEVSA-N 470.698 5.360 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)CC1 1838373356 KIYNQGJWWDQYAA-VWLOTQADSA-N 458.687 5.360 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)C4(c5ccccc5)CCC4)CC3)CC2)c1 1838783123 UPCSMRXKEVKVSJ-HSZRJFAPSA-N 499.655 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Br)c3ccccc23)C1 1844007443 OWRYCWMWVZVEFL-SFHVURJKSA-N 467.407 5.188 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc4c(ccc5ncccc54)s2)C3)c(Cl)c1 1845488421 KEQAJVQWANWJNV-UHFFFAOYSA-N 486.984 5.105 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)C1 1845537789 MYLSFBSAENAIAS-GOSISDBHSA-N 465.421 5.366 30 20 JKED COc1ccc(/C=C2\N=C(SCc3ccc(C#N)cc3F)N(c3cccc(OC)c3)C2=O)cc1 10621913 BIMLQYAGZLCZIM-CFRMEGHHSA-N 473.529 5.392 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10757216 IOZYCJNSDJJFAT-UHFFFAOYSA-O 496.842 7.077 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158745 RNNDJTBMQPKQAK-UHFFFAOYSA-O 499.270 7.201 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2cccc(C)c2)cc1 11268505 MNMILYJPOYTQNX-UHFFFAOYSA-O 451.615 6.563 30 20 JKED C[C@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1C#N 12272290 NXAMIFOVTHSZBY-ZDUSSCGKSA-N 458.301 5.023 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2cccs2)n1CC)c1nc(-c2ccccc2)cs1 14723632 UKJRBEUOKVWRCQ-UHFFFAOYSA-N 467.645 5.461 30 20 JKED COc1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c(OC)cc1NC(=O)c1ccccc1 16469401 WKULCALWQBEUQQ-UHFFFAOYSA-N 476.532 5.608 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nc2sccc2c1=O 18328360 BQNRIKAQKLAANS-LLVKDONJSA-N 468.585 5.055 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1cccnc1 18405327 ZYVZYSWXRIEBPX-IBGZPJMESA-N 471.586 5.224 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nnc1-c1ccccc1OC 21129633 ZIFGVPDYFFNXRR-UHFFFAOYSA-N 456.571 5.538 30 20 JKED Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n1-c1ccccc1 21235855 PGQGSPYCYHAEAK-LJQANCHMSA-N 469.570 5.146 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 21644951 NIYXKKROEDNCJV-SFHVURJKSA-N 464.616 5.343 30 20 JKED CCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 21670132 TXUWAWXGDXLHRC-KRWDZBQOSA-N 484.025 5.445 30 20 JKED C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 22492928 MWRZMKWYWNTQSB-CQSZACIVSA-N 478.957 5.177 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2CC)cc1 22693324 JFKGSPWEIPRCDA-UHFFFAOYSA-O 455.603 6.139 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22731208 WTZQFKRHCCXSBA-UHFFFAOYSA-O 455.550 5.609 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ncc(Cc5ccc(C#N)cc5)s4)cc3)o2)c1 30989528 LDDURPJXBZXCRF-UHFFFAOYSA-N 477.549 5.883 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 107830048 QGVUDNAJHAQUPR-UHFFFAOYSA-N 454.292 5.801 30 20 JKED Cc1cc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)n(CCC#N)n1 109378224 NEFYPTVDEYZBPP-UHFFFAOYSA-N 450.951 6.049 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 195665838 ZQNLAXJZBATXDI-JFEPRVOOSA-N 485.628 5.252 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nnc1-c1ccc(C(C)(C)C)cc1 195678635 IURUCTZTTXLHAK-GOSISDBHSA-N 466.573 5.322 30 20 JKED C=CCn1c(SCc2nc(O)c3sccc3n2)nc2cc(-c3ccccc3)sc2c1=O 253610286 PNVOUARVKPCFLB-UHFFFAOYSA-N 464.597 5.314 30 20 JKED CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2ccc(Br)cc2c1=O 255940604 CCNKONWDZGHWPC-UHFFFAOYSA-N 495.402 5.022 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 303269127 GWYGRWOOXBBLQS-ZDUSSCGKSA-N 452.458 5.306 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 303415989 WKYCIWOMMRGUMW-UHFFFAOYSA-N 492.373 5.661 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)C2)c1 480029302 KRJWWLNZWIJCAN-QHCPKHFHSA-N 468.557 5.328 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 481684628 NDZCXIGWVXKBHG-KRWDZBQOSA-N 487.535 5.443 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)CCN4CCCCC4)cc3)c2)cc1 483549535 DCGFBLOOVUPILG-UHFFFAOYSA-N 468.557 5.417 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)NCc4ccco4)cc3)c2)cc1 484935913 PPJRFHIUFUEYMP-UHFFFAOYSA-N 452.470 5.518 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@H](C)c1ccccc1 486243215 HRBDTPMAWXVIOY-QGZVFWFLSA-N 456.999 5.008 30 20 JKED C=CCN(C(=O)CSc1ccccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491084972 LBTZAXHMEDRCHA-UHFFFAOYSA-N 479.048 5.178 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 496432601 ZXGFQTKAPVFNBV-UHFFFAOYSA-N 497.598 5.267 30 20 JKED N#Cc1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)sc2c1-c1ccccc1CC2 496614080 XMQUJHYNSJPLFO-UHFFFAOYSA-N 458.524 5.669 30 20 JKED N#Cc1cccc(CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 499070968 BXKDZBXAYRBIIR-UHFFFAOYSA-N 457.433 5.566 30 20 JKED C=CCN(C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc(-c2ccccc2)cs1 499310498 UOSZXZPMOWHNGK-UHFFFAOYSA-N 461.978 5.754 30 20 JKED CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 499442897 OCQSYPXQJVPCAX-UHFFFAOYSA-N 450.585 5.285 30 20 JKED Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 502399812 PYBZPUZCOXMADN-GOSISDBHSA-N 453.502 5.433 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21 502819256 CDALKRMYDNSNPX-UHFFFAOYSA-N 466.379 5.521 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 505650371 FTHDZRUUEUGMLZ-UHFFFAOYSA-N 496.420 5.955 30 20 JKED COc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C(=O)N2CCCCC2)cc1OC 509008372 MZASSJKGPNMMSG-UHFFFAOYSA-N 499.567 5.033 30 20 JKED N#Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)cc1 509839277 LQXBRORWNWMAEM-UHFFFAOYSA-N 477.952 5.007 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1Cl 510023803 OXHFWCNSKJQLSC-ISKFKSNPSA-N 473.960 6.136 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2[N+](=O)[O-])n1 515546301 OQXAAPGXGMNSIN-ZDUSSCGKSA-N 486.987 6.264 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)cs1 516747160 IXBOLVXDYPZPOR-KRWDZBQOSA-N 482.565 5.598 30 20 JKED C=CCN(C(=O)c1cnc2c(c1)c(C)nn2C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 517303056 HRLJVPPPOJQJHJ-UHFFFAOYSA-N 465.582 5.900 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)c2)cc1 517844412 PZXUFOXHRAOJMX-UHFFFAOYSA-N 466.394 5.946 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1cccnc1 518002779 FHRWGXTXEMWXGR-SFHVURJKSA-N 488.642 5.333 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518151851 YCHBTQVLNUOZTC-UHFFFAOYSA-N 472.492 5.335 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)cc3)o2)cc1 518515458 LKXDJNXHOWFHQW-HSZRJFAPSA-N 487.544 6.197 30 20 JKED N#CCCSc1ccccc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 518649636 GIFGCDFVZFVZFC-UHFFFAOYSA-N 461.637 6.726 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 518683078 HWOQVCYFIYEJJT-AFMDSPMNSA-N 457.599 6.174 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cnn(-c3ccccc3)c2)c1 519976281 GTWKMOZBZDFBQK-UHFFFAOYSA-N 492.988 5.159 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2cccc(Cl)c2)cc1 522366287 HSNNLMUGIPAWNE-ZQMYSKGWSA-N 480.996 5.060 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 523632505 QZCFYUAPSPLDNV-NRFANRHFSA-N 498.564 5.271 30 20 JKED C=CCn1c(SC[C@@H](O)COCc2ccco2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 588661031 BXYYPTVVRBYKBK-SFHVURJKSA-N 486.590 5.021 30 20 JKED C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 590672765 ADPGXFYTKAJTOI-CQSZACIVSA-N 492.605 5.276 30 20 JKED C=CCN(C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 596354439 LVXINXAUJSXWTM-FQEVSTJZSA-N 481.560 5.004 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)n2)cc1 602740555 JZZIDZDAVFPLCG-UHFFFAOYSA-N 495.593 5.055 30 20 JKED Cc1sc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc1-c1ccccc1 603587438 SYTLDSKPRVCAMO-UHFFFAOYSA-N 459.531 5.093 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1-c1ccc(Cl)cc1 604003555 MVIGQGCTBLFHJT-UHFFFAOYSA-N 456.933 5.732 30 20 JKED CN(CCCOc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 604085460 KOYWWOVGNWHJHW-UHFFFAOYSA-N 462.937 5.397 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2CCC(c3ccccc3)CC2)cc1Cl 604137418 OFWAMJSXXOHQJR-XBEWDXHHSA-N 471.988 5.777 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCC(c4nc5ccccc5s4)CC3)c2)c1 604158360 ODSCANBVNDUZCI-UHFFFAOYSA-N 496.592 5.092 30 20 JKED O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604258324 YNDIGKQVFQPXFK-PHIMTYICSA-N 481.315 5.005 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)c1 608875348 VBLHQLNVNFIOGD-UHFFFAOYSA-N 472.888 5.283 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1C 608876097 CQOWXZUWCKJRSD-UHFFFAOYSA-N 476.540 5.700 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Sc4ccccc4)c(Cl)c3)CC2)nc1 608995475 AGBPDRSIZXKOLG-UHFFFAOYSA-N 463.994 5.548 30 20 JKED CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C(C)C)cc1 609061563 DVWVKCIROFKGPN-MHZLTWQESA-N 485.584 5.238 30 20 JKED Cc1nc(COc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc2)no1 609062954 MAWAWNMIAFZGAA-UHFFFAOYSA-N 474.904 5.313 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1Cl 609163517 OECVATBPMJTOQR-HXUWFJFHSA-N 471.866 5.383 30 20 JKED N#Cc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)c(F)c1 609252511 BHSDIDBPDMWIKK-OAQYLSRUSA-N 456.290 5.188 30 20 JKED C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)NC1CCN(CC#N)CC1 609340357 QPUVJYIBBRYUAE-UWJYYQICSA-N 461.997 5.027 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609435791 BPQQFCMIUXWZKQ-UHFFFAOYSA-N 459.421 5.451 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1OCCOc1ccccc1 613290743 KYAFPPSSXXVSKP-QHCPKHFHSA-N 452.510 5.581 30 20 JKED N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1nc2ccccc2n1C(F)F 613404418 QSJYFYRVDFYBTG-IBGZPJMESA-N 454.436 6.243 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Br)ccc1Br 615493322 BRNXVYNRKGINRJ-UHFFFAOYSA-N 454.162 5.440 30 20 JKED O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616409520 MPXNMXBIBHZVBF-MBTKJCJQSA-N 484.746 5.323 30 20 JKED COc1ccc([C@H](NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c2ccc(F)cc2)cc1 619670493 VCALNWDMIGYUDN-TWOQFEAHSA-N 492.435 6.132 30 20 JKED N#Cc1cnc2ccccc2c1OCCOC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 726363916 FHRVPTZBDVLXOK-UHFFFAOYSA-N 491.503 5.270 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3cccs3)C2=O)c1 726420245 HWRSZBIQTIODPJ-QGBHTJAESA-N 485.656 5.408 30 20 JKED COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2C)cc1NC(C)=O 726428683 ODXHITSXVQPJJF-FYWRMAATSA-N 451.526 5.711 30 20 JKED CCc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(Cc3ccccc3)cc2)cc1 726572185 QTIUMVOEEKXBDY-UHFFFAOYSA-O 494.640 5.634 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2ccc(CC)cc2)c1 726573411 BWEORXGGCQOGHP-UHFFFAOYSA-O 461.610 6.508 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N(Cc2ccc(OCC#N)cc2)C1=O 727651002 XZQQPLLTBHEZMU-HSZRJFAPSA-N 492.645 5.104 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H]2c2ccccc2C(F)(F)F)c1=S 728048886 ABHSJKMVQUGWBY-NRFANRHFSA-N 479.616 5.442 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1 728119826 SUYHWPPFCWTDDH-HHHXNRCGSA-N 455.558 5.423 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 728767243 YPBITERTEBPQRH-BEFAXECRSA-N 479.631 5.295 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 728778062 BJTZOBOVHQGVKV-FQEVSTJZSA-N 489.428 5.325 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 729668367 HYGFJIQLMBVUBH-UHFFFAOYSA-O 485.585 5.304 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730461677 RBUPHWKUDMZQLK-HXUWFJFHSA-N 475.536 5.781 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2cc(C)sc2C)c1 730726745 JEUHESZQJUVOIR-FOIQADDNSA-N 497.621 5.324 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@@H](C)c2cccnc2)C1=O 730945117 NBLZDURISMCFEG-LAUBAEHRSA-N 452.624 5.157 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CC2CCC2)C1=O)Nc1cccc(O)c1 731304032 FUSJGJSGCSEXES-LJQANCHMSA-N 477.508 5.171 30 20 JKED COCCCn1c(NN=C(C)c2ccc3c(c2)Nc2ccccc2S3)nc2ccccc2c1=O 744780069 BHNSZDLEZXICSQ-UHFFFAOYSA-N 471.586 5.477 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(CCOC(C)(C)C)C1=O 746696611 RDYWSOUHBPPJSD-QFIPXVFZSA-N 483.634 5.087 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1=O 750916724 OTUSDMIOLPLFMC-XWIAVFTESA-N 499.917 5.122 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1C 751304140 JQQVPRRUEXPDHJ-UHFFFAOYSA-N 450.926 5.148 30 20 JKED C[C@@](C#N)(NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2)C1CC1 791302759 ZHGMJWCORBXQNV-LXUYRICLSA-N 465.553 5.077 30 20 JKED CC(=O)N(c1nc(C=NNc2ccc(F)cc2Br)cs1)c1ccc(F)cc1F 812463695 OOXUSKAMZOSSJZ-UHFFFAOYSA-N 469.286 5.454 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N 825326101 OJOZHTFZVNIZBJ-FQEVSTJZSA-N 496.592 5.696 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)CCc2ccco2)cc1 838039475 DLOSZYJEXQYAIO-SBUREZEXSA-N 495.576 5.409 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915084997 CREBBNJSPUEZPF-XNMGPUDCSA-N 464.569 5.145 30 20 JKED N#C[C@H](C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Cl)cc2)cs1 915102276 USRAORMOXCMZIT-XVPJOVGPSA-N 468.022 5.362 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 916208322 ZFCVYOBIRMMZDZ-IBGZPJMESA-N 479.524 5.011 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccc(F)cc2)cc1 916214535 OGTPDVXGHKPZNG-QFIPXVFZSA-N 499.514 5.273 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(C2CC2)C1=O 916217338 LDGHNHFJGYAAHX-IBGZPJMESA-N 457.983 5.088 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(O)c(Br)c1 916273100 SHOILFNNBYZQTE-UHFFFAOYSA-N 474.767 5.437 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c12 916916594 XFXLCMYNBYDXCP-LJQANCHMSA-N 465.538 5.120 30 20 JKED CCCCCCn1nc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c2ccccc2c1=O 916918438 PJCHFGPCTLONLV-HSZRJFAPSA-N 466.541 5.091 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916942092 FUSGDGQHXDJBPD-OAHLLOKOSA-N 492.771 5.922 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976584 SOXNMMZNHHTZJY-KDOFPFPSSA-N 456.354 5.346 30 20 JKED COc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997043 ROJKOGYLDUMMNF-GOSISDBHSA-N 473.381 6.355 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)[C@H]1c1ccc(OC)cc1 917046101 FISZTOBEAKXACX-SFYKDHMMSA-N 482.005 5.524 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCN3CCC[C@@H]3C2)C1=O)Nc1ccc2ccccc2c1 917673635 DXNRZUGLGXIEOC-CYXNTTPDSA-N 498.652 5.427 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2)CC1 917681709 QXYWFKVOSFPMFN-QFIPXVFZSA-N 499.080 5.563 30 20 JKED CCc1cccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3cccnc3Cl)=C2C)c1 918056941 WRKYAMFLOUGWEB-QHCPKHFHSA-N 488.016 5.518 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 918304234 SFJCREQCMGUKCG-AWEZNQCLSA-N 455.432 5.187 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccc(Cl)s2)n1 920108799 JRXRCEWZPIVJJB-HNNXBMFYSA-N 479.970 6.278 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(OCc2cccc(Cl)c2)c1 920109307 CVMICVSAEXPMDF-LJQANCHMSA-N 473.743 6.187 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(C(C)C)cc1 920354171 ZTFROWWNGFQIJP-DEOSSOPVSA-N 490.629 5.253 30 20 JKED N#Cc1ccc(CN(Cc2cc(F)cc(Br)c2)c2ccc3nc(O)[nH]c3c2)cc1 1657632165 NOIMLNSTSXWFQB-UHFFFAOYSA-N 451.299 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3c(Cl)cncc3s1)C2 1779510770 VXFBNVKXNZTOGC-PXDATVDWSA-N 490.069 5.070 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cnn(C(C)(C)C)c4Cl)cc3)CCC2)c1 1787130717 WJSCIRVBEGWUCK-UHFFFAOYSA-N 490.007 5.533 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787950216 SIRIJOKRBOZCIA-ZCLKUGBOSA-N 487.644 5.072 30 20 JKED Cn1c(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)cc2ccccc21 1788885862 FQEPQSPWBLIGSB-UHFFFAOYSA-N 480.543 5.179 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)F)no3)CCC2)cc1 1789508849 QGRRBHKVYBAGSI-UHFFFAOYSA-N 473.596 5.411 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)cc2)CCC1 1790052501 PGCPVWSELBLDAF-HXUWFJFHSA-N 477.605 5.072 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4ccc(F)cc4)cc3)CCC2)C1 1790151736 ZHNPDZFXAXSADE-UHFFFAOYSA-N 455.533 5.602 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3Cl)cc2)CCC1 1790225413 WREBKJMBWPEFTG-JOCHJYFZSA-N 496.007 5.004 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)C[C@H]3C)CCC2)cc1 1790518971 BFOUVJIXAQQQEY-JJHGTGHCSA-N 469.626 5.026 30 20 JKED CCN(CC)[C@@H](C(=O)NC1(c2ccc(NC(=O)[C@@H](C)ON=C(C)C)cc2)CCC1)c1ccccc1 1790567225 JFWHXUHWPXSMRT-PXDATVDWSA-N 478.637 5.005 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1 1790649741 FNAPWQHXDBNIAX-OKCVXOCRSA-N 490.501 5.064 30 20 JKED COc1ccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(F)c1 1790708650 LPERDAXRRDSYIF-RIYZIHGNSA-N 483.543 5.361 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1791193791 JISQHSQIFBFTAV-UHFFFAOYSA-N 461.459 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(c4cccc(Cl)c4)CCCC3)[C@H]2C1 1791195837 LTMBPEDIXOXVOW-OYDLWJJNSA-N 487.084 5.124 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)CCC2)cc1)C(F)(F)F 1791302873 AWWVQZSDYLDJLQ-NRFANRHFSA-N 485.550 5.151 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccccc5n4)CCC3)cc2)cc1C#N 1792168730 UYPQMQIDSKYJAN-UHFFFAOYSA-N 493.567 5.055 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cc4cccc(F)c4)cc3)cc2)CCC1 1792186485 HVCGZTSGVWUVOB-UHFFFAOYSA-N 455.533 5.468 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@](C)(OC)c1cccc2ccccc12 1792519346 GLOXWDAYEICBCD-OJNHJINQSA-N 462.634 5.332 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(N(C)Cc2ccccc2)c(F)c1 1800811326 USSVCMUKLDUOHE-BKFWDETESA-N 493.598 5.047 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[C@H]1c1cccnc1 1802490404 CIPPPCGGNGILLP-OUMCCJGNSA-N 481.587 5.162 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCNc2ccc(C)cc2C)[C@H]1c1cccnc1 1802499940 UNHMYQRIDKXUJT-SQHAQQRYSA-N 476.665 5.199 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)C/N=C/c3ccco3)CC2)C1)c1ccc(Cl)cc1 1805635565 BXRKPTDIFJQBOG-BUSZIJHZSA-N 484.040 5.023 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc4occc4n3-c3ccccc3)CC2)C1 1806062976 IQNCNVVOZSYTRP-XMMPIXPASA-N 479.646 5.023 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)CC1 1809438148 GFCLFGKSFHYIAH-JOCHJYFZSA-N 478.555 5.127 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCNc2ccc(C)cc2C)[C@H]1c1cccnc1 1810499410 XZPQANVWDVXBSK-SQHAQQRYSA-N 476.665 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1810501360 BKJFOLQIGWEFAD-VGSWGCGISA-N 492.422 5.840 30 20 JKED Cc1ccc(-c2ccccc2C(=O)NC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)[C@@H]2c2cccnc2)cc1 1811530747 IGXXUKANXXHZRF-RNJDCESWSA-N 487.669 5.331 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1811743374 OFONMZBQEGHJOV-JYFHCDHNSA-N 487.003 5.363 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1811831516 GUDYUCMCTLRSLJ-KNQAVFIVSA-N 474.432 5.700 30 20 JKED CC1=CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC1 1811872814 HFHMYEPXEFDJEF-ZCVJKFOLSA-N 496.533 5.038 30 20 JKED C#CC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1812534910 RAERRDYEHVAERZ-UHSQPCAPSA-N 459.634 5.084 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1812958244 KRDYSBNDNPNRNQ-AOYPEHQESA-N 483.603 5.274 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1813052132 CEXNNHZUVCWVGS-NGQVCNFZSA-N 492.623 5.333 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@](C)(OC)c2cccc3ccccc23)n[nH]1 1814408707 XEDZCPKRYOGYSU-LLIYUYTPSA-N 474.605 5.329 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n[nH]1 1814720829 WJMVICAYKOLKCB-TUNNFDKTSA-N 452.574 5.337 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)cc1 1815244258 ZCBXKLFLFXVMCL-URXFXBBRSA-N 477.634 5.040 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc(C(F)F)c2)n[nH]1)c1ccccc1 1816082163 LUOLEYIEMZJUPC-REWPJTCUSA-N 491.542 5.245 30 20 JKED O=C(Cc1ccc2ccccc2c1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1816824873 SKHAKMHLEHAZSN-MDRMPYQZSA-N 498.608 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)sc2C1 1816952429 ZVUDBEYJMKFTQJ-IAGOWNOFSA-N 498.052 5.001 30 20 JKED CC(C)CN(CC(C)C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC#N)n[nH]1)c1ccccc1 1817123841 DBPDXKZRADOZHG-SHQCIBLASA-N 492.668 5.061 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)c1 1817739937 FIHMRVOZAOXCDZ-SANMLTNESA-N 490.567 5.272 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)[nH]n1 1819303289 TWRKCYAMMOETIY-UGKGYDQZSA-N 471.001 5.075 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)cc2n1 1819385330 NCJMKHSFTCLEJR-NRFANRHFSA-N 491.668 5.216 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)[nH]2)n[nH]1 1819632000 JJGRTTGWVJKUQP-MRXNPFEDSA-N 451.493 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(=O)OCC)c2F)n[nH]1 1820175948 OQIJFMGKMBBXNA-HXUWFJFHSA-N 484.572 5.024 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)C)no2)n[nH]1)c1ccccc1 1820332412 ZJJLHHKUKRXPDW-OFNKIYASSA-N 473.577 5.024 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c1 1820430755 NJOYDYQYSOFHHY-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)n[nH]1 1821351749 GJGNTJIRKYABNJ-DYESRHJHSA-N 492.542 5.649 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)n[nH]1 1821351758 GJGNTJIRKYABNJ-UWJYYQICSA-N 492.542 5.649 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1)C(F)(F)F 1821993117 OXRDGFJNKRDJGW-SFHVURJKSA-N 497.477 5.371 30 20 JKED Cc1ccc([C@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1822067337 JSVMLVLAQGOPRN-ZYLNGJIFSA-N 469.589 5.455 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1)c1ccc(O)cc1 1822710430 ZXWIYNRCWBHBHG-GREBRCKQSA-N 490.629 5.170 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cnc(C)s2)n[nH]1)c1ccccc1 1822928933 OHJALKLSWBJDQG-ZMDBSYECSA-N 487.629 5.077 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)c(Cl)c3)n[nH]2)C1 1823309483 QHGNHCXQOMUBHW-QGZVFWFLSA-N 467.784 5.642 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1823685302 SERDJQPPYKCTMT-MUUNZHRXSA-N 487.644 5.213 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(C)oc2C(F)(F)F)CC1 1823752864 PSJDIGWIBKVSQK-GOSISDBHSA-N 469.548 5.228 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1823885045 CNVMDCACBMPOOK-QFIPXVFZSA-N 472.589 5.007 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3cccc4ccccc34)CC2)c1 1824956582 LGICMQQYPUKVIQ-HHHXNRCGSA-N 499.586 5.163 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1825188884 MONNBJPJXVSQKK-VXKWHMMOSA-N 477.571 5.031 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)c2s1 1828097785 ZZCGMQVRMTZCRJ-DEOSSOPVSA-N 472.614 5.024 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)ccc2n1 1828230394 CJGWSFRYUGLOGD-LJAQVGFWSA-N 494.639 5.281 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828354818 LSCFGHZLRXHSAG-TYBKAHOSSA-N 467.569 5.251 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)CC2)cc1 1828559423 OMDIJUHURNNHTD-XMMPIXPASA-N 475.658 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1828825671 ZTDUQZWVLLSFDX-AOYPEHQESA-N 491.632 5.352 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1828905301 MPFGSOHNHUXKEK-AREMUKBSSA-N 489.736 5.519 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(C)nc2C)CC1)c1ccccc1 1829029453 AVZXPPPZWNSHCN-LOSJGSFVSA-N 477.674 5.190 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(C)oc2C(F)(F)F)CC1 1829066804 UEAXIKQCCLFMJJ-GOSISDBHSA-N 469.548 5.228 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1829071460 QDGYMARFOVUWPJ-RUZDIDTESA-N 479.665 5.571 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1830447800 QKNJVADFRZVGNN-MUUNZHRXSA-N 478.596 5.167 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCCC[C@H]1C1CCN(C(=O)C23CC(F)(C2)C3)CC1 1830601576 CXAXSRLSIBWAAL-OCHSWLLGSA-N 484.615 5.212 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830627091 LOIFYPWWXVDOFC-RLWLMLJZSA-N 475.658 5.167 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)c(Cl)c1 1830724015 QWHXHELYXRXAJW-VWLOTQADSA-N 492.019 5.084 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831779663 GKINWRQXCAHYDY-PGRDOPGGSA-N 463.087 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c1 1832633415 HRMQXCPZJNJAIM-OZBXUNDUSA-N 469.629 5.351 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccccc2Oc2ccccc2)C3)c(Cl)c1 1845488654 LHBIGHLGBWWCTB-UHFFFAOYSA-N 471.944 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)C2)c1 1846279409 UADKNBCMCQCDER-QGZVFWFLSA-N 482.411 5.169 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C3)c1 1846830258 OXBXVRSPOZHTRP-HNNXBMFYSA-N 475.898 5.117 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)nnc1-c1ccccc1 9448436 FTGGPSLHRWKNCM-CABCVRRESA-N 463.632 5.407 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(Cc3ccccc3)cc2)cc1 10827802 SEPFIGXXKWEAHJ-UHFFFAOYSA-O 488.032 6.278 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 11089403 RZHMYMCYQNNOAM-UHFFFAOYSA-O 458.434 6.511 30 20 JKED C=CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1nc(-c2ccccc2)cs1 14723957 BGKUQTRIGULDDA-UHFFFAOYSA-N 481.643 5.126 30 20 JKED CN(C)c1ccc(/C=C2\N=C(SC[C@H](C#N)CCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 15237882 QYJNWHPTVZSDJU-GFHXCNCHSA-N 495.555 5.274 30 20 JKED Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 17939532 ZHIBKOZMLZSXOW-UHFFFAOYSA-N 451.573 5.116 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccc(Br)cc1 20831215 AFQPVDSSOUVYOO-UHFFFAOYSA-N 488.798 5.889 30 20 JKED C[C@@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(=O)Nc1ccccc1C#N 20993029 ZVZCDJONOOTZKY-MRXNPFEDSA-N 455.901 5.611 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(F)cc1 21338190 JZYZKASIVZRFCI-CYBMUJFWSA-N 466.460 5.288 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)n(-c2ccccc2)c1C 21446626 OARGQVQYBJWZCX-UHFFFAOYSA-N 492.992 5.047 30 20 JKED C=CCn1c(C)nnc1SCC(=O)Nc1sc(Cl)c(-c2ccccc2)c1C(=O)OCC 22210796 ZQNMVODSCSFELZ-UHFFFAOYSA-N 477.011 5.062 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cc(C)ccc2C)cc1 22729572 LHMSFJNBNJDHJS-UHFFFAOYSA-O 458.434 6.511 30 20 JKED C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 23284794 DHPQRUDKIHEPCE-AWEZNQCLSA-N 477.640 5.537 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)nnc1-c1ccoc1C 23519614 BRYCJOMVJCCPNV-WMZOPIPTSA-N 450.608 5.269 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccc(OC)cc1 23554315 SXEHYJQLPRRNSS-QZTJIDSGSA-N 450.608 5.773 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)cc1 25149369 HYOVNOYJLBSZOG-HSZRJFAPSA-N 459.619 5.278 30 20 JKED C=CCN(C(=O)Cc1csc(NC(=O)c2ccoc2C)n1)c1nc(-c2ccccc2)cs1 107761260 MXTWJXQFQMGLFQ-UHFFFAOYSA-N 464.572 5.182 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 195648950 IGIVUZKRKXQDGB-PGRDOPGGSA-N 481.021 5.026 30 20 JKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)c1OC 195745644 PXBYLEYFLKRJGM-MNDPQUGUSA-N 453.542 5.115 30 20 JKED N#C[C@H](C(=O)CSc1nnc(Nc2cccc(F)c2)s1)c1nc(-c2ccccc2)cs1 247706536 FKJGWDZQQZKBPT-MRXNPFEDSA-N 467.576 5.513 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 303201846 XPQNNIFZXBXSQC-UHFFFAOYSA-N 450.454 5.350 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)C2)c1 303223582 VNZCKBMTXQDDSX-IGKIAQTJSA-N 482.584 5.199 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(Br)s3)cc2F)c1 481619544 ATZOZJKRGYCTTF-UHFFFAOYSA-N 460.328 5.422 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc1C 498744403 LFWLSZKQCLSKPO-QFIPXVFZSA-N 479.584 5.546 30 20 JKED C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cn2)C[C@@H](C)O1 499644236 SLAYBSVGOUBOPC-KHCICDEESA-N 490.007 5.326 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 500980116 CXEJYKROUONVLO-QHCPKHFHSA-N 465.022 5.214 30 20 JKED Cc1cc(C)cc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)c1 502669685 NQBTWTOCUWFFPG-UHFFFAOYSA-N 468.557 5.850 30 20 JKED CC(C)c1ccc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C(C)C)c1 502818911 VPUMLMHOGAODNK-UHFFFAOYSA-N 451.364 5.765 30 20 JKED Cc1cccc(C)c1Oc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 509781283 HTUSHCUMTCLENW-UHFFFAOYSA-N 489.597 5.007 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 510226792 FXZFWQOKIOGYTB-UHFFFAOYSA-N 489.578 5.774 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 510265324 DHQJROXPNDIFSI-UHFFFAOYSA-N 468.538 5.549 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(OC)c1OC 511416449 SMRHCOQMIHTGOW-GOSISDBHSA-N 475.545 5.240 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(OCc4ccccn4)cc3)c2)c1 511540011 NRWOXANBYKDVOE-UHFFFAOYSA-N 477.524 5.106 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)c3ncccc23)nnc1-c1ccc(Cl)cc1 511585750 DOXPZKJHBBLXTF-UHFFFAOYSA-N 465.966 5.072 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1 511747796 AYLJXBJPVHIGQT-UHFFFAOYSA-N 470.529 5.475 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)o1 515285135 UQPZLMMNAGBWRY-UHFFFAOYSA-N 478.555 5.135 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccncc1 515353814 JSBMFWDPQWSRHA-LJQANCHMSA-N 455.587 5.236 30 20 JKED COc1cc(Br)c(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 517461635 ZCFKIHZPXLWYJW-AWEZNQCLSA-N 495.464 5.590 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C 517909498 IMMXRLOUQOROBI-VFNWGFHPSA-N 456.409 5.501 30 20 JKED CC(C)(C)OC(=O)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 519186503 DJYPSBIBOIATHB-OAQYLSRUSA-N 453.970 5.581 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 519906871 ZJEANGWSFXKDTF-UHFFFAOYSA-N 459.575 5.257 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 521261824 ZGWQNYIAPULNSK-LJQANCHMSA-N 468.586 5.508 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 524673828 JAPBSWOPNKNEQU-UHFFFAOYSA-N 473.642 5.777 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1 603674735 XPACAQDJLUTYRN-UHFFFAOYSA-N 494.389 5.204 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 603836621 OPEXMVRBITXLMZ-OAHLLOKOSA-N 457.895 5.269 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)cn2)cc1 604241640 DCGSEXWRCFQVRE-UHFFFAOYSA-N 474.929 5.965 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c(OC)c1 604363863 MLAPOITXUCNEAN-UHFFFAOYSA-N 487.556 5.788 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)cc1 604461950 ZBUHHLUZDQNJKC-QLPKVWCKSA-N 471.401 6.382 30 20 JKED CCOc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccccc2)cc1 604464599 LLPFXQBKZYUSLW-NDEPHWFRSA-N 491.547 5.594 30 20 JKED CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccc(C(F)(F)F)c1 608851109 KYHLLJBEJUESOQ-HXUWFJFHSA-N 452.498 5.054 30 20 JKED Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 608970656 ACWRTTZIBJSZST-UHFFFAOYSA-N 498.633 5.651 30 20 JKED CSc1nnc(CCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1C1CCCC1 609077987 KIKVODGGEAKFNT-UHFFFAOYSA-N 476.606 5.533 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609164819 WVQFJNFULNHJRS-ZCYQVOJMSA-N 492.044 5.794 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 609370891 GNCTZCNCUOFRIT-GOSISDBHSA-N 462.644 5.876 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c(C)c2c1 614955030 JTZXVIHLURDXIP-UHFFFAOYSA-N 465.509 5.639 30 20 JKED N#Cc1c(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)nc2c(c1-c1ccco1)CCC2 619845945 ZLAQKFPXWARCPA-UHFFFAOYSA-N 481.961 5.247 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485405 MVUOSFLLPDWNFB-PSLIRLAXSA-N 475.355 5.604 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccc(OC)cc1 644495853 BCIBBQBBLQNSBG-UHFFFAOYSA-N 463.390 5.567 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 726392958 KFVKOVMWHKBMCA-UZUQRXQVSA-N 479.577 5.364 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@@H](C)OC)cc1 726394275 UJPWGFMSWUPJKT-XXBNENTESA-N 467.635 5.251 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726420980 NIGAYVVTQJWIIU-PJJSERJYSA-N 455.527 5.009 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(F)ccc2F)cc1 726570114 SHGJRAHLUUQHGY-UHFFFAOYSA-O 468.549 5.056 30 20 JKED Cc1cc(C)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)n2ccc(=[N+](C)C)cc2)cc1C 726572168 VSUOHVNXDGGXNB-UHFFFAOYSA-O 478.041 5.294 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@@H](C)c2cccs2)[n+]2ccc(C(C)(C)C)cc2)C=C1 726580345 XLYSBFGPLDWYKC-KRWDZBQOSA-O 480.679 5.665 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(C(C)C)c2)c1 727317275 CGEHCTDBMAISTC-UHFFFAOYSA-N 493.416 5.404 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 728118698 BEMBGVXWLNULBB-HSZRJFAPSA-N 485.462 5.199 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)c1 728778893 VMUADNOEAYWUQN-NRFANRHFSA-N 469.010 5.611 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)cc1C 729379200 OVPOEAYWGLTNKT-UHFFFAOYSA-N 455.493 5.659 30 20 JKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 729416960 AMYLFWKWXQLZFC-UHFFFAOYSA-N 471.557 5.742 30 20 JKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2c1 730473731 HWXTWODNDZELJG-UHFFFAOYSA-N 471.520 6.225 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944183 SDFQNOZPEZPMGN-CYFREDJKSA-N 488.613 5.429 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 731060995 SUANAMGCVNRAGG-IBGZPJMESA-N 487.581 5.010 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731066470 NZEZUBONJPZBKN-CQSZACIVSA-N 473.620 5.088 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 731077275 JCNXCTVDGLXOSL-AWEZNQCLSA-N 489.475 5.550 30 20 JKED Cc1sc(NC(=O)C(C)C)c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1C 731079201 CNURNQOCDMKYLF-AWEZNQCLSA-N 473.620 5.007 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731305272 BJEULKJIFSLMHH-QVKFZJNVSA-N 480.977 5.162 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731311441 BNLYFANNZAVUOR-DQEYMECFSA-N 496.592 5.220 30 20 JKED COc1ccc(NC(=O)c2ccccc2NC(=O)CNc2ccccc2S[C@H](C)CC#N)cc1 731351823 ANGLOQARQRJQSL-GOSISDBHSA-N 474.586 5.392 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1=S 732468453 RBEGGPCPZNZDCO-HXUWFJFHSA-N 482.723 5.075 30 20 JKED COc1ccccc1-c1nc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cs1 746917505 BDQIJAIRBSKMBQ-UHFFFAOYSA-N 492.601 5.409 30 20 JKED C=CCOc1c(Br)cc(/C=C(/Cl)c2nc(O)c3cccc(C)c3n2)cc1OCC 747200668 CDPKZSZEXISMRF-GZTJUZNOSA-N 475.770 6.107 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cscn2)cc1 747598265 ADGPTPHPWXJFEJ-IBGZPJMESA-N 488.997 5.405 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 747804357 NOCBMIISOVYIAG-GMAHTHKFSA-N 452.599 5.463 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)cc1C 802764533 XULZHDDXHBDZKZ-UHFFFAOYSA-N 484.643 5.041 30 20 JKED C=CCOc1c(Br)cc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1OC 813376505 NZHUZCUYGXWQMM-SFHVURJKSA-N 471.273 5.151 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H](c2ccccc2)C2CC2)C1=O 914540026 NLVUHJNAGIAHEA-UYAOXDASSA-N 462.402 5.212 30 20 JKED Cc1cc(NC(=O)[C@@H](C)SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)no1 915102652 BZPSUZVFZGVKHR-BXUZGUMPSA-N 495.413 5.350 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)c(-c2ccccc2)cc1OC 915270207 BIULMJZAEMJIRK-UHFFFAOYSA-N 482.512 5.402 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 916206069 OBXRARJWSDYTFX-INIZCTEOSA-N 452.338 5.279 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O)Nc1ccc2ccccc2c1 916208645 NPGXBOCTDYBPMA-XMMPIXPASA-N 484.556 5.534 30 20 JKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1cn(Cc2ccccc2)nc1-c1cccnc1 916344938 QLYJCVYQUJJZGQ-UHFFFAOYSA-N 471.977 5.076 30 20 JKED COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1c(C)noc1C 916541188 JKHQLYCRQGAJAS-UHFFFAOYSA-N 464.400 5.252 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1[C@@H](C)c1ccccc1 916887134 LBPCGNHBMOGYQM-AOMKIAJQSA-N 467.541 5.990 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1 916909675 TUGUFOWXUUXJPD-LJQANCHMSA-N 456.970 5.469 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2ccccc2Br)c1C 916924995 HNAWSVNGXCKEGS-SFHVURJKSA-N 480.362 5.217 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928396 KIHSPSASSLTENK-LBPRGKRZSA-N 452.363 5.309 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2OC)cc1 916929380 JNPGGTWHDBMZGN-QFIPXVFZSA-N 467.525 5.132 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(I)c1 916929871 CHBHNMVLTNFMGS-SNVBAGLBSA-N 493.515 5.213 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1 916949659 DSGCXRCLYCOLAF-VWLOTQADSA-N 456.542 5.533 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 916955573 RTNIYLIDPMJQDR-DFBJGRDBSA-N 478.552 6.187 30 20 JKED N#C[C@H](C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1nc2cc(C(F)(F)F)ccc2s1 917044228 RMPHTKWJEQBOSL-ULYJJNKVSA-N 490.551 5.149 30 20 JKED CCOc1cc(C#N)ccc1OC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 917424495 DFGLMMXQTGAZFF-UHFFFAOYSA-N 458.898 5.591 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccsc3)C2=O)c1 917695947 GPTPGULVLQALJU-HXUWFJFHSA-N 487.553 5.195 30 20 JKED Cc1sc2ncn(N=Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)c(=O)c2c1-c1ccccc1 918709277 AQTTWVIQMKEBQF-UHFFFAOYSA-N 496.539 6.458 30 20 JKED CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 920112665 GIOGBIIPLVKPQW-GBXCKJPGSA-N 474.511 5.144 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2cccs2)cc1 920170150 JUJPLXOGXPNWJM-OAQYLSRUSA-N 493.610 5.224 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H](C)c2ccc(C)s2)C1=O 920170893 QHIDYRFSSGRCTQ-WBMJQRKESA-N 469.604 5.200 30 20 JKED COc1cc(C=NN[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 920385357 AXPDULKCRDYAOZ-KRWDZBQOSA-N 471.479 5.416 30 20 JKED CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805701 FRUHALDUTXZNHH-QGFXBONSSA-N 497.611 5.622 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 920869962 QSSYPJIOYBKXBQ-RBZFPXEDSA-N 495.979 5.169 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2csc(C3CCCCC3)n2)cc1[N+](=O)[O-] 920904992 JYIQOCGUHNYGKN-UHFFFAOYSA-N 495.561 5.242 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cnn(-c3ccc(F)cc3)c2C)cs1 920991460 JHHIUGPNEHTTEQ-MDWZMJQESA-N 460.534 5.665 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786182061 PANNHIWEHKHJMA-HSZRJFAPSA-N 481.637 5.008 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)COc3ccc(Cl)c(Cl)c3)CCC2)cc1 1786371082 GYOTWNQRBFAASX-MRXNPFEDSA-N 477.388 5.097 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3)CCC2)cc1 1786679993 CADWXWCFNRRFFT-UHFFFAOYSA-N 450.604 5.142 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1ccc(C2(NC(=O)/C=N/N3CCCCC3)CCC2)cc1 1788360776 DVNQYQINSYEREH-RUMWWMSVSA-N 495.627 5.276 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)c1 1788724465 GQULKNCIBBIYCF-MRXNPFEDSA-N 481.474 5.987 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)c(C(F)(F)F)c1 1788728290 LKSGANPKDUUILN-CQSZACIVSA-N 453.530 5.154 30 20 JKED Cc1c[nH]cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1788732193 OVIZPYVVYPEQML-UHFFFAOYSA-N 456.546 5.044 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982518 QULXENOYBUIZRF-JOCHJYFZSA-N 465.981 5.142 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COc3cc(Cl)ccn3)CCC2)cc1 1789456218 MCJNTOMRSQFFLM-OAQYLSRUSA-N 453.970 5.016 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Br)CCC2)cc1 1789573876 CIDVNAGGDCAPAB-MZJWZYIUSA-N 498.352 5.048 30 20 JKED CCn1nc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)cc1C 1789857534 AOYHCYZIBYGDGM-UHFFFAOYSA-N 495.505 5.163 30 20 JKED CCOc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1790240893 VCFNGRDZJFJTEL-UHFFFAOYSA-N 453.542 5.213 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5cccnc45)CCC3)cc2)ccc1F 1790520340 PAUJVLIVHHMLCO-UHFFFAOYSA-N 478.527 5.236 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1790568103 MWTVLEFIQAJAOL-FQEVSTJZSA-N 470.573 5.297 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)c(C#N)c1 1790931274 ZUGXODSGARTNDG-UHFFFAOYSA-N 495.535 5.009 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(Br)c(F)c3)cc2)CCC1 1791197359 HGKXVCNTQHVJED-UHFFFAOYSA-N 491.426 5.184 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)c4ccccn4)CCC3)cc2)cc1C#N 1792168899 MONGINNQDUTPRA-FQEVSTJZSA-N 482.584 5.292 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)CC4(F)F)cc3)CCC2)cc1C#N 1792248391 UDXMNFDIIOPESY-XMMPIXPASA-N 467.516 5.138 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Br)cc4c3)CCC2)cc1 1792266952 CHEIQWBHGJXZSL-UHFFFAOYSA-N 476.374 5.158 30 20 JKED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1793571281 MAJKWZXJVXDCDZ-HLRQEUIKSA-N 490.566 5.043 30 20 JKED O=C(CCC(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1Cl 1799226361 OPHMHTANNQZSDQ-JGPRNRPPSA-N 474.804 5.092 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F 1800704269 SEAGNFHHVBIMMX-ACDBMABISA-N 487.616 5.417 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2c(Cl)cccc12)c1ccccc1 1801106470 HBTRAIPXXIRGFU-LRSLUSHPSA-N 474.004 5.270 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1803602671 TWKKXZAROCBDGG-IEXUWNMDSA-N 498.048 5.269 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C3)c1 1803685415 UJQVMYDLDOJQLC-ZTVIYSTHSA-N 473.470 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2c[nH]c3ccc(C)cc23)[C@H]1c1cccnc1 1804384340 OOHUZQFZZMQURS-AJTFRIOCSA-N 472.633 5.112 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1810172756 MLXBWXHHYOJPAZ-XFAFFCHDSA-N 484.600 5.133 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccccc3C)C2)CC1 1810355883 PHRKABGKSWUAMN-UHFFFAOYSA-N 457.618 5.095 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3ccccc32)[C@H]1c1cccnc1)c1ccccc1 1810447371 LYZRGNCYJKTTHT-SYKYGTKKSA-N 491.635 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCNc2ccc(C)cc2C)[C@H]1c1cccnc1 1810499402 XZPQANVWDVXBSK-IGKIAQTJSA-N 476.665 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1810502856 MKTVZCGBRDWKKA-HYBUGGRVSA-N 484.040 5.446 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4ccccc4)n4ccccc34)[C@H]2c2cccnc2)C1 1811266866 OZWDSNCJFXYGSL-FUFSCUOVSA-N 490.607 5.287 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811719448 ZSTGICQMXSQSKK-VAVYLYDRSA-N 495.623 5.962 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)s3)[C@H]2c2cccnc2)c1 1811936284 OTLKVKJHJSSJBM-BWKNWUBXSA-N 486.641 5.254 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1811953791 UOMVELZGCIYIOE-BVAGGSTKSA-N 487.003 5.363 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1812115649 SMHWGLZARCRYQO-NBGIEHNGSA-N 491.035 5.595 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302585 ZVCPNXWRFPPKMR-YLORPAJWSA-N 487.625 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2ccc(OC)cc2)[C@H]1c1cccnc1 1812421986 KBBICEQWTCCWGN-KMNJIXJWSA-N 475.633 5.192 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2Cc2ccc(F)cc2)[C@H]1c1cccnc1 1812596012 CBUZWICMXJZSTD-NBTVYNQOSA-N 499.630 5.272 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@H]1c1cccnc1 1813225965 HKOCXKSZLSZTMW-WNJJXGMVSA-N 497.639 5.292 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@H]1c1cccnc1 1813228979 UYBWITGGHHRJMI-FIPFOOKPSA-N 494.595 5.336 30 20 JKED Cc1csc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1813864784 DFOHVLALMTUGSU-SGGJORCASA-N 486.641 5.031 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 1813865585 GYDQSAHTYXIACQ-KFACBJOOSA-N 488.591 5.495 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1813957664 MQZJOSPKMNREGP-YZUZCNPQSA-N 485.550 5.497 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3NC(=O)OC(C)(C)C)[nH]n2)C1 1814397078 BEOQDXOUWWABIN-OAQYLSRUSA-N 479.581 5.029 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)cc1 1814498017 LOIRDVUZXAUIIS-NRFANRHFSA-N 487.560 5.184 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)n[nH]2)c1 1814723278 PGOJWOJNCBSECJ-FLNQWHAFSA-N 485.563 5.285 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)C(C)(F)F)n[nH]2)c1 1815338824 QLDIBYCBVKQHGQ-DNVCBOLYSA-N 457.525 5.024 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c[nH]1 1816112186 TYCKDQLDKJQITE-HXUWFJFHSA-N 478.984 5.180 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cc[nH]n3)n3ccccc23)n[nH]1 1818971925 XEPFEOPDGULRNN-QHCPKHFHSA-N 499.619 5.351 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ncsc34)n[nH]2)c(Cl)c1 1819155295 JMPRPVOQJDXWBJ-FQEVSTJZSA-N 490.976 5.164 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)[nH]n1 1819309284 QVASBACBKQJIGH-ZEQKJWHPSA-N 497.599 5.359 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1)C(F)(F)F 1821611273 KEDCAGAANMAVOL-IBGZPJMESA-N 482.462 5.734 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821755980 GYQCEUBZBIXGBR-FYYLOGMGSA-N 486.060 5.351 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1821924625 FHTKQWLFXULQCK-DYVFJYSZSA-N 452.452 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)CCCO3)n[nH]1 1823135606 QQCSYPSVKAYEMB-NRFANRHFSA-N 450.583 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)[nH]n3)[nH]n2)c1 1823219168 YACBKKBFLODBRS-IQGLISFBSA-N 493.571 5.047 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3F)n[nH]2)c1 1823295359 IMYNBSBSDWPHQS-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)C1 1823704851 YCDAKWJIXLKQFK-NRFANRHFSA-N 452.492 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)cc(OC)c2F)CC1 1823754064 XHLFKOLSPPSLPK-JOCHJYFZSA-N 474.617 5.069 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1823885595 DPRKGMNLQLVRLY-QHCPKHFHSA-N 496.449 5.385 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1824054262 SACBUGLDMIVLFG-RUZDIDTESA-N 497.561 5.443 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4cccc(O)c4cc3OC)sc2C1 1824163772 ROGFDSQPBSVEPB-MSOLQXFVSA-N 491.613 5.005 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1824542576 ZLLBENLDHCOPNB-PKTZIBPZSA-N 474.070 5.076 30 20 JKED Cc1ccccc1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827684722 PWVWSNOKYBOZRH-SWDTZWKESA-N 478.658 5.048 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)cc1 1828295029 JELPUCIBWJWTKY-AREMUKBSSA-N 489.019 5.434 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606618 LHSNQEHSIDHEJG-DYESRHJHSA-N 473.614 5.075 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1828822937 BTMMPRUXWHMXLH-PKTZIBPZSA-N 489.701 5.068 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1 1828904848 BKXINBAMJTWGOQ-HSZRJFAPSA-N 483.754 5.285 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906656 ZHKGITOZXYBFFM-VYNOCKSYSA-N 482.741 5.662 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c(C)c1 1828983950 AKSNWVQTQWEPTQ-NDEPHWFRSA-N 486.660 5.105 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689066 ZXBVJFKHFUFOBA-HSZRJFAPSA-N 493.051 5.451 30 20 JKED COc1ccc(F)cc1-c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC#N)CC2)c(Cl)c1 1829694541 DOQFUFXRSBMRLG-XMMPIXPASA-N 497.998 5.302 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)CC1 1829819688 SCGNJDIACHSMOZ-HSZRJFAPSA-N 456.675 5.252 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601987 NBKBXRLODFJKAV-FUFSCUOVSA-N 499.655 5.121 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1830631768 OCYLGSLMAUCZGL-HXUWFJFHSA-N 490.456 5.668 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3)CC2)ccc1Br 1830687586 XQPIXMYFGAUJJU-QHCPKHFHSA-N 498.396 5.007 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4sccc4c3O)CC2)c1 1830716778 KGMVLMHVBMKUHX-HSZRJFAPSA-N 491.588 5.165 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831448126 IDYTZJJAHRCOFZ-JOCHJYFZSA-N 475.967 5.333 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1831577667 OTAMEGTYXHHPBJ-FVLDFINLSA-N 477.690 5.132 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1831849497 YEYVPGPZMNPEEB-MHZLTWQESA-N 482.628 5.062 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3n2)CC1 1831849801 HEPTUKSAQOGSOU-XMMPIXPASA-N 496.449 5.034 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1832028280 KJTORMCIZJIUIJ-SANMLTNESA-N 457.618 5.176 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1832029822 RMUYKSLCQZKVPQ-NDEPHWFRSA-N 496.655 5.657 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2Br)CC1 1832031753 WTRYIUSBIDAECF-OAQYLSRUSA-N 493.873 5.529 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832991962 VWJRTJXQDYJGEQ-OCHSWLLGSA-N 481.640 5.222 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(OCC)cc2)cc1 10173893 QGRXAMQCDPWFPQ-UHFFFAOYSA-O 455.550 5.654 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 10830980 JMEOGVCLGXMNME-UHFFFAOYSA-O 486.060 6.886 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)c3cnn(C(C)C)c3n2)c(C)o1 10955356 AOAZWUFPAUQEIX-FQEVSTJZSA-N 499.571 5.381 30 20 JKED Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2ccc(C#Cc3ccccc3)cc2)o1 11257492 JDHTUEMKJVWWOF-UHFFFAOYSA-N 461.477 5.457 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Br)cc1 16832642 DOPISWQDXITRJG-CQSZACIVSA-N 473.396 5.022 30 20 JKED O=C1Nc2ccc(Br)cc2/C1=N\Nc1ncnc2scc(-c3ccc(F)cc3)c12 19332400 IKNNEOICCOCCRU-UHFFFAOYSA-N 468.311 5.028 30 20 JKED CCc1ccc(-c2nc(CC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)cc1 24638177 CROUTPIQSUCIKD-UHFFFAOYSA-N 477.640 5.569 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c3c(C)noc3n2)cc1 24905957 TXMYIGVZLZGRQF-UHFFFAOYSA-N 498.593 5.774 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 26834268 HEWKONXLGHLYIW-NRFANRHFSA-N 472.570 5.262 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(C(C)(C)C)cc2)c1C 28793581 RKAFYWPSTSJSRM-UHFFFAOYSA-O 483.057 6.123 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 78665606 LXOIGGSPGBXTRU-IBGZPJMESA-N 485.638 6.059 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1Cl 107648188 YMLLRXGOGQLATG-FQEVSTJZSA-N 495.391 6.430 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc3cnn(CC)c3c2)ccc1Cl 195730420 HIEIFTIWXDBGHM-UHFFFAOYSA-N 495.004 5.343 30 20 JKED CN(Cc1ccc(Br)cc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 255939398 ADLNXSMKTJKBFV-UHFFFAOYSA-N 494.414 5.324 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)CC2)c1 409774338 NEQOXWVKVBJBAO-VWLOTQADSA-N 491.950 5.348 30 20 JKED N#Cc1ccc(SCC(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 484995060 SUJDMTUQZRYHMJ-UHFFFAOYSA-N 491.516 5.109 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 485210788 ZLGJUZWPTJIIOA-UHFFFAOYSA-N 487.894 5.354 30 20 JKED CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N(CCC#N)c1cccc(C)c1C 501560065 DNSUDUWVMUFGES-UHFFFAOYSA-N 475.420 5.208 30 20 JKED Cn1ccnc1SCc1cccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 501875331 VKGVDEZGQBLQJI-UHFFFAOYSA-N 470.573 5.566 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C#N)C1 503069931 BAWGZGLJKUEXCN-LIRRHRJNSA-N 499.036 5.268 30 20 JKED CCN(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 509579481 MNSLDRBPPZFVPN-HNNXBMFYSA-N 452.561 5.606 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 509990726 CYBAJUHFQIVQOL-FQEVSTJZSA-N 475.614 6.067 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)cc1Cl 510006901 RNQVWHYVUZQSFA-QHCPKHFHSA-N 461.974 6.884 30 20 JKED C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510161325 RGOLEGWKPRAJOS-GOSISDBHSA-N 492.674 5.398 30 20 JKED Cc1ccccc1-n1c(SCC(=O)NCc2ccc(C#N)cc2)nnc1-c1c[nH]c2ccccc12 510242480 KXPABZLROYNHEO-UHFFFAOYSA-N 478.581 5.004 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)c2)c1 510852533 WOAWFMNYDBBCQF-UHFFFAOYSA-N 469.522 5.171 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccc(COc3ccccc3Br)cc2)nc2ccccc21 513656065 XCQGFBMSEFUMDP-SFHVURJKSA-N 460.331 5.405 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc12 514363254 RBQWLLWODQSYOT-NHCUHLMSSA-N 477.678 5.004 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)Nc4ccc(Oc5ncccc5C#N)cc4C)c3)cn2c1 514424427 UWDDDQXWYZYUJJ-UHFFFAOYSA-N 489.535 5.841 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)nnc1-c1cccc(C)c1 515302403 RKTHLIOIAJAKFT-UHFFFAOYSA-N 475.521 5.197 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4cc(Br)cs4)n3)n2)cc1 515598978 RTLYXTQECQKMAJ-UHFFFAOYSA-N 487.429 5.810 30 20 JKED COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n[nH]1 517448744 IQFJUZHNCAFUOF-ZDUSSCGKSA-N 474.011 5.259 30 20 JKED Cc1ccc(SCc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2)c(C)c1 517891224 MWWZZLKXXBRHBJ-JOCHJYFZSA-N 455.608 6.604 30 20 JKED CC(C)c1ccc(CCNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 519009482 JIULZZLSMLSPOY-XMMPIXPASA-N 459.977 5.416 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)cc1 519458042 OBOIKASCPNCIHE-UHFFFAOYSA-N 473.602 6.008 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 521731473 YWEXJFCOKAYGDK-AVRWGWEMSA-N 459.571 5.137 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1 523520408 PIQGYSDEGCTUTG-UHFFFAOYSA-N 484.506 5.936 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1Cl 524314148 HQJFWPJVEKMIJL-GFCCVEGCSA-N 468.435 5.172 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2CN2CCCCC2)nnc1-c1ccc(Cl)cc1Cl 524340824 YXWXELGYANLWME-GOSISDBHSA-N 494.492 5.007 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1CCN(C(=O)COc2ccccc2)CC1 524650751 VIIRBJJFGQRDBH-UHFFFAOYSA-N 487.987 5.062 30 20 JKED COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 524653498 VZHVILGMUMSWHA-UHFFFAOYSA-N 488.931 5.467 30 20 JKED N#C[C@@H](NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(OCc2ccccc2)cc1 552450431 IUBUNELKGJRCLP-XUZZJYLKSA-N 494.517 5.277 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(F)ccc2OC(C)C)nnc1-c1ccc(Cl)cc1 589370411 KPHXBADQINURFO-UHFFFAOYSA-N 460.962 5.442 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C(=O)OC)ccc2F)nnc1-c1ccc(Cl)cc1Cl 592994999 WUBNRJVRJBGZFD-UHFFFAOYSA-N 495.363 5.094 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccnc3Sc3ccccc3)s2)cc1 603449282 MZIWMVSFFNCLRX-UHFFFAOYSA-N 461.597 5.501 30 20 JKED Cc1ccc(-c2cc(-c3nnc(S[C@H](C)C(=O)NC4(C#N)CCCCC4)o3)c3ccccc3n2)cc1 603597677 OAQODBUOANZSRN-LJQANCHMSA-N 497.624 6.084 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)c2)c1 603704901 JIWFSCWQIXSUOX-RUZDIDTESA-N 485.540 5.182 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 604394249 UCYCDAODWZIKNV-QGZVFWFLSA-N 469.994 5.164 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nnc2ccccn12 609080004 RCGRWHFRCOVDDX-HSZRJFAPSA-N 474.952 5.352 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nnc2ccccn12 609080006 RCGRWHFRCOVDDX-QHCPKHFHSA-N 474.952 5.352 30 20 JKED N#CCN1CCC(NC(=O)NC[C@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 609339915 UVCSRTNTNHQWAT-AREMUKBSSA-N 477.612 5.254 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 609398223 LHNXNFDCIXOHLR-KRWDZBQOSA-N 462.550 5.651 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 609398226 LHNXNFDCIXOHLR-QGZVFWFLSA-N 462.550 5.651 30 20 JKED CC(C)c1ccc(C2(CNC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCCC2)cc1 609405156 NCAWMJNIOIRTIE-UHFFFAOYSA-N 482.584 5.436 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)c1 609437441 WVJLNBLMRBZUBK-HUUCEWRRSA-N 499.411 5.315 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[nH]c1Cc1ccccc1 611164937 IPXLXCRFKCHXPU-UHFFFAOYSA-N 469.614 5.378 30 20 JKED C[C@H](Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C)C(=O)NC1(C#N)CCCCC1 612646045 DSMMCLJDTMZONT-AWEZNQCLSA-N 487.050 5.139 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 612805718 NJOKRENJMGWCBM-ZIAGYGMSSA-N 476.383 6.289 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc2cc(Cl)ccc2s1 613402927 KTVZQYZBWNCINW-INIZCTEOSA-N 473.863 6.646 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1Cc1ccccn1 613405258 VYABNEHCZTUJMX-SFHVURJKSA-N 454.477 5.667 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1nc2cc(Cl)ccc2s1 613406980 BWJZKGIKHBJAMS-QGZVFWFLSA-N 461.909 5.555 30 20 JKED C=CCN(C(=O)CCc1c(C)nc2ccnn2c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 614536240 JVAHJQLAGDPXCJ-UHFFFAOYSA-N 486.428 5.928 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1 615000315 SVWFHTPSUKFXCU-UHFFFAOYSA-N 450.951 5.217 30 20 JKED O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622150818 AQDUKKQPDBAYPG-TYNCELHUSA-N 460.365 5.438 30 20 JKED C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1nc2ccccc2n1C(F)F 642679483 KAPALKPADLJCLW-DCAQKATOSA-N 472.380 5.701 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c1C 725995249 BZSXVMMSZXBCAE-UHFFFAOYSA-N 487.503 5.549 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Br 726073723 GOLYKKMBDONVNO-FQEVSTJZSA-N 450.336 5.435 30 20 JKED CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 726133060 BTLDLZJBMJDNKZ-SHHOIMCASA-N 460.559 5.326 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1F 726393182 MZEIRZDKMPKFPP-YJYMSZOUSA-N 481.952 5.004 30 20 JKED Cc1nc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)nc2ccccc12 726403045 YCHZSMXUYQUXIX-QHCPKHFHSA-N 481.581 5.099 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc(F)c(Cl)c2)cc1 726412295 QKGQBXLCSYNDDM-NRFANRHFSA-N 490.000 5.067 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)cc2Cl)c1 726572091 QVXWQOQUFURLCO-UHFFFAOYSA-O 475.808 6.438 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(F)(F)F)cc1Cl 726889971 ITDUXHXXWJUJMC-INIZCTEOSA-N 489.878 5.010 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)c(Cl)c1 726891044 MWQBZAZACKEUOG-JOCHJYFZSA-N 477.973 5.095 30 20 JKED C=CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1OC 727177839 OYTQJPDGQBPFEK-OQLLNIDSSA-N 497.823 5.477 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 728776668 DEZIBJYZMKHVGS-IBGZPJMESA-N 458.946 5.133 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 729144931 HBYFAVQBIXOYFA-IBGZPJMESA-N 485.034 5.574 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(C2CCC2)C1=O 730462581 ZFYGDQKWEMHLGL-JOCHJYFZSA-N 451.592 5.297 30 20 JKED CSc1cc(-c2csc(=Nc3ccc(C#N)c(Cl)c3)n2Cc2cocn2)ccc1NC(C)=O 730708331 VVTAKFHUWYYQCJ-UHFFFAOYSA-N 496.017 5.691 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730715121 JLEQTKJNZZJJLN-OAQYLSRUSA-N 482.993 5.414 30 20 JKED N#CCCN(C(=O)COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc(Cl)c1 730857873 LEOYDYOMWIBXFQ-UHFFFAOYSA-N 477.826 5.117 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 730936592 IVCUYJGYESZKAC-UHFFFAOYSA-N 474.362 5.740 30 20 JKED CC(C)n1ncc2c(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc(C3CC3)nc21 731066720 GDUAVJBKGNZVQM-MRXNPFEDSA-N 477.590 5.079 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 731067963 MRJMBQDMQCJSIP-IBGZPJMESA-N 497.576 6.198 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731068990 KNMNXXVEGCXTRG-INIZCTEOSA-N 465.600 5.232 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCOc3ccccc32)c1 731171841 MPTZTCRMEIWKLP-LJQANCHMSA-N 497.016 5.017 30 20 JKED N#C[C@H](NC(=O)CCCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl 731195477 HSJKPASKLMSAIT-IRXDYDNUSA-N 498.197 5.532 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N/[C@H](C)c1cccs1 731311267 AGGIWMJFTXEWKD-ATCDQRBRSA-N 485.656 5.414 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1CSc1cccs1 742979892 HJVSCIMZJNYDCF-CMJOXMDJSA-N 456.589 5.386 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(Cc2ccc(OC)c(OC)c2)C2CCCCC2)c1=S 746044216 KKPPRNJTRCJSFR-UHFFFAOYSA-N 479.650 5.472 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)NCc1ccccc1 746697822 MTCZLDCRIARAAD-DEOSSOPVSA-N 468.582 5.006 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3cccs3)cc2F)ccc1S(=O)(=O)C(F)F 747065783 FFMRCHAAADFMNL-VURMDHGXSA-N 452.475 5.455 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 748004117 RDUGHTVRRBIMIC-LJQANCHMSA-N 484.493 5.472 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cnccc2OC)ccc1Cl 748204730 VGURULDARCHXEV-UHFFFAOYSA-N 492.384 5.031 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 750703531 ABFNUPFQNHHMQC-IBGZPJMESA-N 480.565 5.128 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4cccc[n+]4[O-])c3C#N)C(C)(C)C2)o1 754802068 FTTIPGISJGVTJP-NTMALXAHSA-N 477.611 5.664 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(Cl)c1 799220592 FGNZEAHAQJTTNC-MRXNPFEDSA-N 466.788 5.083 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2cccs2)c1 837348031 JOEGONKHZZHAQP-OAQYLSRUSA-N 483.590 5.099 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3ccccn3)C2=O)cc1 837383388 NDJMIRBXNLFVFI-XXBNENTESA-N 458.587 5.420 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(C3CCN(C(C)C)CC3)C2=O)c1 837778620 DRNFGRBNCXCDIK-DEOSSOPVSA-N 496.652 5.276 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cccs3)C2=O)cc1 838237602 JNYPVMLZQNMVJN-QFIPXVFZSA-N 495.601 5.559 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2sc3nc(C)nc(C)c3c2C)nc1 863966806 OXLDUJJHISKBMT-UHFFFAOYSA-N 494.646 5.063 30 20 JKED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2c(Cl)cccc2Cl)no1 904310140 MYFOPFVDDOYQPT-OAHLLOKOSA-N 465.362 5.013 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 914543277 HTFHWRGITUWKDT-KSFYIVLOSA-N 496.995 5.273 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)c1 914690905 IUDVUUOUHPWRIW-AOMKIAJQSA-N 481.549 5.019 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914694190 DQYHOVLCYKTLAR-HRAATJIYSA-N 467.591 5.479 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 915087024 ZHOBQNDNGMAQEW-XUZZJYLKSA-N 489.522 5.434 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)n1 915107914 XTLDABXBGRFGGH-INIZCTEOSA-N 454.527 5.979 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)/C(=C\c3cccs3)n3nnnc3-c3ccccc3)cn2)c1 915175141 NIBDVVAPTHUSGJ-HZHRSRAPSA-N 491.536 5.097 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)cc1 915200337 ZFYRTVZCVBWGEO-RUZDIDTESA-N 452.558 5.093 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915354225 XQFWGQGODIKJRS-IBVKSMDESA-N 490.629 5.255 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCCC1 915782620 BIPVRTHHUOCITJ-RUZDIDTESA-N 468.557 5.430 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 915863265 WWHOYYOBEGLGGK-URXFXBBRSA-N 477.486 5.348 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)s2)c(C(F)(F)F)c1 916055382 KWBZJABNHDAISM-UHFFFAOYSA-N 498.530 5.389 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccccn3)C2=O)cc1 916217856 XOPHWBNAJSJDCG-QFIPXVFZSA-N 458.587 5.167 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl 916684332 XTTNRTFUUCMZIR-QHCPKHFHSA-N 492.982 5.417 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc(N)nc(Nc2ccccc2)n1 916879576 GZXIEHIRFQINAZ-QFIPXVFZSA-N 491.530 5.294 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccccc2Cl)o1 916904704 IAOIEBWYSLPPBM-LJQANCHMSA-N 456.885 6.353 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2cc(Br)ccc2o1 916946483 WDNPOFKHFULOIB-CQSZACIVSA-N 452.091 5.463 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916974162 FNQNCGLBTBRJSI-KRWDZBQOSA-N 496.386 5.407 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 916977009 ZTPQACNTZLKUBF-FUHWJXTLSA-N 455.992 5.396 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(-c3ccccc3)cc2)cc1 917614008 WPMKXDXMXGSLKW-UHFFFAOYSA-O 462.598 6.398 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O 917675738 ZTPXZSRTEXRZLK-HXUWFJFHSA-N 486.018 5.571 30 20 JKED C=CCN(C(=O)c1ccc(Cn2cccn2)o1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 918552838 XAJMIKSWNDUAMY-UHFFFAOYSA-N 466.566 6.148 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)NC3CCCC3)cc12 919667283 SLESEWJLUJZQNU-HNNXBMFYSA-N 475.401 5.143 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920104231 NAYCGAGLGCXGLA-DNVCBOLYSA-N 477.973 5.998 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)[C@@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)CC3)c2c1C 920141122 HDKAIHFEXLGNDN-HXUWFJFHSA-N 498.637 5.396 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)Cc1csc(-c2ccc(Cl)s2)n1 920678740 ZIGPBUNGJPGIJP-ZDUSSCGKSA-N 467.037 5.276 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)c2ccc(OC(F)F)cc2)cc1C 920892212 JPZQQHFXYLNQFG-QGZVFWFLSA-N 467.472 5.110 30 20 JKED CCc1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)nc(O)c1C 1166308315 XFUJOHHVLOALME-AWEZNQCLSA-N 458.653 5.258 30 20 JKED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCCCCCCCc1ccccc1)C2 1782184970 GWOOXFNBHUUKQJ-KSCKTEMCSA-N 488.738 5.182 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)cc1Br 1785933212 QYTZOSNUAYEZEP-UHFFFAOYSA-N 498.421 5.074 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(F)c3)CCC2)cc1 1786548015 KHXZTVNGEYOUAI-JOCHJYFZSA-N 499.558 5.182 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1786551433 KJKGVDHVRNWCNU-TXTKFYIRSA-N 483.653 5.416 30 20 JKED O=C(C#Cc1ccccc1)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1787777612 GCYOVXGKORNWIQ-UHFFFAOYSA-N 461.521 5.141 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312261 PCVCBNYUQBZUAD-UHFFFAOYSA-N 475.948 5.909 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(C(F)(F)F)cn4)cc3)CCC2)c1Cl 1788389332 IEVWJZJSAHUDIS-UHFFFAOYSA-N 499.880 5.082 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3Cl)cc2)CCC1 1788480636 LFRSXJCXOPWGSD-IBGZPJMESA-N 462.981 5.684 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789201618 WFVPHSNBJPIBOS-OFNKIYASSA-N 483.653 5.512 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccn4cncc4c3)cc2)CCC1)c1ccccc1 1789346827 XWMKNIOBEVZBGU-HHHXNRCGSA-N 476.580 5.279 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1789493199 YAUXPPHXLRVVMH-ZCLKUGBOSA-N 487.644 5.072 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4C=CS[C@H]43)CCC2)cc1 1789508942 CPBLLNAJGMBOHQ-YMPZKCBVSA-N 452.696 5.047 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4cn3)CCC2)cc1 1789510038 VYRAYSDSAWVOND-UHFFFAOYSA-N 473.649 5.627 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(O)c4cc3OC)cc2)CCC1 1790927237 LZJYEWDXSYLOOR-UHFFFAOYSA-N 488.584 5.285 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CCC1 1791421262 IXVQOYDODCYIAY-CJRSTVEYSA-N 493.648 5.002 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791442784 PRFDCEWCWXWKPJ-KPURRNSFSA-N 493.648 5.288 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)CCC2)cc1 1791574392 KHSZRJWDUQJJQC-CQSZACIVSA-N 455.967 5.061 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)ccc1F 1792124380 VPZDVNHWLNPBPM-SFHVURJKSA-N 471.532 5.523 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)N4CSCSC4)CCC3)cc2)c1 1792124676 CTURCUZIUTWVEX-RBUKOAKNSA-N 494.686 5.104 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=C(C)CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204481 AVAJYYZIOHEJMR-URXFXBBRSA-N 495.664 5.726 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cccc4s2)C3)cc1 1792481128 FOVHYUMSVPVXBI-ACDBMABISA-N 478.017 5.311 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nc(Br)sc2c1 1798159035 CEBLXOUQJVINOF-BCDXTJNWSA-N 488.451 5.079 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)C2 1798592824 KABORKCQNOOZJS-ACDBMABISA-N 454.014 5.441 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2occc2n1-c1ccccc1 1799111598 LMKLHNFUDUKMNC-MALNDZBISA-N 457.574 5.244 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)cc1 1800281038 YWKPFEUSVPJPBS-JUDWXZBOSA-N 499.561 5.516 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)cc1Cl)c1ccccc1 1800688305 AQVVISWZYNFCEX-KNGJJONBSA-N 464.009 5.293 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800812406 AMRXTMYAKBYXRJ-KOUNCHBCSA-N 490.550 6.095 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)ccnc2c1)c1ccccc1 1800880930 CCVYXGYBCCFHIS-KIHHCIJBSA-N 486.015 5.337 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Br)c3)CCCC1)C2 1801642161 PMCOOUXKFFDKES-HLRQEUIKSA-N 473.455 5.111 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1801697824 HQWDSAOWPOTQKO-WKCHPHFGSA-N 463.528 5.070 30 20 JKED Cc1ccc(CSCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)cc1 1802132248 DFVFIJVTCYQVFV-YEHREXKJSA-N 475.658 5.197 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1802389332 DKYSCXXZCFIBBL-JDXGNMNLSA-N 494.639 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c1 1802713165 AXXMHMKUFQGKNM-IUBQTAPSSA-N 490.966 5.135 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1802742037 JTUALHVCADHWJL-BKMJKUGQSA-N 496.127 5.414 30 20 JKED CCCCCc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)C(C)(C)C#N)[C@H]2c2cccnc2)cc1 1802994389 BIAMWDJGULFRMH-ICAJTTLISA-N 472.633 5.083 30 20 JKED Cc1c(Cl)ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/C(=O)c2cccs2)C3)c1Cl 1803532819 RSWQOGIPZYXOFI-FOMCXPQXSA-N 477.413 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)C2)CC1 1807695713 CFQXJQABWNGFCS-UHFFFAOYSA-N 465.613 5.658 30 20 JKED N#CC1(C(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](F)c5cccc(F)c5)c4)CC3)C2)CC1 1809499718 GOCRTJPOBUOXIE-DEOSSOPVSA-N 477.555 5.033 30 20 JKED Cc1ccc(C)c(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810276090 DNQZYTQYHAKAFG-RPLLCQBOSA-N 475.709 5.069 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3cccs3)on2)[C@H]1c1cccnc1 1810849136 WSSHBNOBCAJUDG-WMZHIEFXSA-N 478.618 5.110 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811418498 WXCINUPBYPBFPX-SJWJMTIBSA-N 491.016 5.091 30 20 JKED CCCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1811743994 URTRWXKHFBOTMS-OZXSUGGESA-N 487.003 5.193 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811852765 APZGVQOBBLBYIX-IFMALSPDSA-N 473.539 5.412 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)sc3Cl)[C@H]2c2cccnc2)c1 1811937022 HGHWWTKVQMPPIE-UTKZUKDTSA-N 499.423 5.263 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1811945097 JHUXNBRIEYZDLM-IFMALSPDSA-N 473.539 5.412 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814110098 CPDHHKCLYUWMLF-POURPWNDSA-N 473.661 5.474 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1814743174 GTOGQMOZDXOZCY-SFHVURJKSA-N 490.869 5.033 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)n[nH]2)ccc1F 1818932034 ZHJHNPHOABHHKH-BBNRHVKASA-N 491.611 5.262 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1)c1ccccc1 1819129026 VCUUMDXUNKWOTL-SHQCIBLASA-N 491.595 5.461 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)cc1 1819479903 XEMBPOADXMAOGV-TWKIEXGSSA-N 495.583 5.403 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819481110 MQCBBOLBZBYYQV-WATSXHCISA-N 455.603 5.111 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c1Cl 1820431208 XVIDJNLJGIAPLO-GOSISDBHSA-N 486.334 5.347 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5scc(-c6ccccc6)c5[nH]4)sc3C2)C1 1821217268 DXZPIKHQPFLGJG-KRWDZBQOSA-N 488.638 5.545 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523937 GRFJWSGSRXNXRN-JTSKRJEESA-N 471.561 5.669 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1821987703 NWXFXYHAKCCOKM-IBGZPJMESA-N 496.599 5.296 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823216311 GWXCPZHHZWNZPZ-VGOFRKELSA-N 475.980 5.618 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n[nH]1 1823295319 FXEGPLCHNZMFGD-LJQANCHMSA-N 464.463 5.067 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncsc2Br)CC1 1823752316 CFOSQIWMVIDQLR-QGZVFWFLSA-N 482.488 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1823753751 ZNURFMPWGQZVFK-VWLOTQADSA-N 479.665 5.261 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(=O)OC(C)(C)C)CC1 1824218312 LXRHBRQXFDCITC-JOCHJYFZSA-N 462.675 5.111 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CSC2CCCC2)CC1 1824478303 JLDFGWBIVFKKNB-DEOSSOPVSA-N 476.803 5.333 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1824499916 RXLGKZCNTLTYEA-DEOSSOPVSA-N 484.040 5.104 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826478154 AKXVJEDKUVIVDB-GCJKJVERSA-N 450.545 5.080 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cs2)CC1 1828825664 ZRTGLOAQEWMMAG-WOJBJXKFSA-N 479.484 5.512 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1828829631 FMWAJIYFPLOFHT-REWPJTCUSA-N 491.047 5.418 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 1829066506 GWDNXPAYLIEMFQ-NRFANRHFSA-N 465.560 5.326 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)CC1 1829387683 CIJBRFMORPECTH-OAQYLSRUSA-N 463.544 5.102 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c1 1829446681 XLFMWWNGKNZOEA-VGOFRKELSA-N 470.038 5.576 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2SCc2ccccc2)CC1 1829492191 FCVPDVQZURCNAL-XMMPIXPASA-N 463.647 5.183 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)c(C#N)c1 1830285806 VGXZXOXOFSUADP-AREMUKBSSA-N 494.035 5.005 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1830417774 HRBBLEITJWOOSC-WZONZLPQSA-N 496.479 5.347 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)C1 1830805870 JZTOZQJPZASMRM-MHZLTWQESA-N 478.583 5.831 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)CC1 1831303138 FUKISCYHGCMTRT-FTJBHMTQSA-N 482.665 5.025 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1831371424 VPVVSEDSOWFDRV-JXFKEZNVSA-N 476.543 5.027 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1831851735 UWXHHDBHZKQSSS-HHHXNRCGSA-N 482.628 5.267 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 1831852482 NDGDPTLXJRORMP-OAQYLSRUSA-N 479.846 5.139 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1 1832635704 PEPAHDPRSDGYGF-PIKZIKFNSA-N 469.629 5.738 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832798423 WABOHLUXULVDKI-FKBYEOEOSA-N 454.577 5.168 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 1836696796 DQZFYIKYTBKMPE-UHFFFAOYSA-N 478.555 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C)oc3C(F)(F)F)CC2)CC1 1837481025 ZNVIPUFMZZXZLZ-UHFFFAOYSA-N 484.559 5.211 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CC2)CC1 1838735358 CPHOXRBWUKQXNS-UXHICEINSA-N 494.598 5.106 30 20 JKED C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccc(CCCC)cc4)cc3C)CC2)CC1 1838744753 WVNBDUXPIHGVTJ-UHFFFAOYSA-N 486.656 5.250 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)C1 1845280032 JGLPSZCUHHYZOB-DQEYMECFSA-N 464.556 5.470 30 20 JKED C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 11023526 DTGHVPXBYLWTQX-QGZVFWFLSA-N 473.989 5.502 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11114087 POIHGQKBEVNXQI-UHFFFAOYSA-O 485.645 7.026 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccoc1C 14063910 ZRUKUCKMTMVHEK-UHFFFAOYSA-N 456.877 5.436 30 20 JKED CC(C)c1ccccc1-n1c(SC[C@H](O)COc2ccc(CC#N)cc2)nnc1-c1cccnc1 15234342 BMABNQGLRWULGX-JOCHJYFZSA-N 485.613 5.051 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C)cccc2C)c1 15992753 DKDPVSSROFRPOC-UHFFFAOYSA-N 485.005 5.599 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(F)cc2Br)n(C2CCCCC2)c1C 16675022 IWUAZBVPJUBZOZ-UHFFFAOYSA-N 476.346 5.179 30 20 JKED C=CCn1c(SCc2nc(N)c3ccccc3n2)nc2scc(-c3ccccc3)c2c1=O 18330900 GQMITVFOPSORET-UHFFFAOYSA-N 457.584 5.129 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nc2scc(-c3ccccc3)c2c1=O 21140160 SZZAFEXLLVVXGJ-QGZVFWFLSA-N 453.633 5.050 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1 21754310 WQOAZIKKLWABJK-SFHVURJKSA-N 470.623 6.441 30 20 JKED CC(C)Cn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccc(Cl)cc1Cl 22701361 MJNVFRNIZZNGOU-UHFFFAOYSA-N 499.427 5.434 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1cccc(Br)c1 22732654 PLNLRRMCNLLNGA-UHFFFAOYSA-O 499.410 5.567 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccccc1OC 23222332 CXXLFLXHGXTPMP-UHFFFAOYSA-N 499.568 5.272 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(CSc3nc(C)cc(C(F)(F)F)c3C#N)cs2)cc1 24284811 FLBNOLJZWVPABZ-UHFFFAOYSA-N 476.549 6.276 30 20 JKED O=C(Nc1ccc(Cl)cc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 24426878 YZCGNARSDXAOKX-UHFFFAOYSA-N 451.729 5.955 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)cc1 26368264 RIFZHBBWUXWVPQ-UHFFFAOYSA-N 461.591 5.451 30 20 JKED N#Cc1cccc(NC(=O)CCSc2nnc(Nc3cccc(Br)c3)s2)c1 26417005 GFOGPOGNCUEFHG-UHFFFAOYSA-N 460.382 5.037 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 107647288 DEYBPXSUFPATDA-QPPBQGQZSA-N 480.395 6.042 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 109882850 UXCMVUWRABLTQC-INIZCTEOSA-N 464.418 5.285 30 20 JKED Cc1cc(Nc2nc(CC3(C#N)CCN(C(=O)OC(C)(C)C)CC3)ccc2F)n(C(C)(C)C)n1 261507188 GITYNVFVGCXQOQ-UHFFFAOYSA-N 470.593 5.308 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)n2)cc1 303154424 GNVYWJWSTVCHSI-UHFFFAOYSA-N 482.540 5.466 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 409509049 VDONGKXQSVBASG-AWEZNQCLSA-N 481.362 5.073 30 20 JKED COc1cc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1OCC(F)(F)F 482761776 PWAMDCYKQQMMKR-UHFFFAOYSA-N 456.420 5.230 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 486241487 BTGIOLWWUMCSJS-UHFFFAOYSA-N 473.573 5.017 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 490129341 QENUHGBTDPQEEX-UHFFFAOYSA-N 461.978 5.594 30 20 JKED COc1ccc(I)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 497309251 DRAOQSPHSDXTCI-UHFFFAOYSA-N 484.293 5.003 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 506658191 YEBCQSLVMCTNRM-UHFFFAOYSA-N 469.383 5.133 30 20 JKED CCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)c1cc2ccccc2o1 507491559 LNHHMFJJVNHAQA-SFHVURJKSA-N 472.545 5.769 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1 508283156 WNYODXAUGRRNDQ-UHFFFAOYSA-N 484.556 5.048 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 509278048 FJMOQSKFVYXIMP-UHFFFAOYSA-N 466.519 5.814 30 20 JKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C 510010741 RNWFIRMGQPHKOH-QFIPXVFZSA-N 460.965 5.715 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 510211478 OIECCOYLTQURFU-UHFFFAOYSA-N 464.403 5.673 30 20 JKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C2CC2)o1 510244803 OLAUIDVOXNPTNF-LIRRHRJNSA-N 465.604 5.615 30 20 JKED CCOc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OCC 511462210 KJTWGILECXZGKU-SFHVURJKSA-N 472.545 5.491 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 511592097 KVXSDTFVZVGFIC-UHFFFAOYSA-N 475.545 5.185 30 20 JKED COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3sc(C)c(C)c3C#N)[C@@H]2c2ccccc2OC)cc1 514612638 QYIJTMIUIDMMCU-OFVILXPXSA-N 489.597 5.377 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 516269913 DJFJOTZIQNVSBW-QFIPXVFZSA-N 480.549 5.101 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 517312830 LOGXCTVVKJJROS-UHFFFAOYSA-N 474.565 5.231 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 517486515 YTWYGPQYKUWKNU-UHFFFAOYSA-N 483.549 5.280 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1OC(F)F 517851211 YTEVRMRBXYPTJM-HXUWFJFHSA-N 465.456 5.158 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 518207391 HLUXKTXTVRYHFR-HXUWFJFHSA-N 478.946 5.649 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1Cl 519107140 SUXJZWFHZXCXLM-XMSQKQJNSA-N 482.392 6.090 30 20 JKED C=CCN(C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 519514830 SVYDPXRFXHHENK-ZIAGYGMSSA-N 463.344 5.128 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)cc1 520586483 ZZGOAOYAZFCKOZ-UHFFFAOYSA-N 466.541 5.279 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)CC2)c1 520592742 FKSZBWSOEOKQMO-UHFFFAOYSA-N 454.555 5.910 30 20 JKED Cc1nc(CCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc1-c1ccc(Br)cc1 521799579 AUKTTWMJEKQDCH-OAHLLOKOSA-N 484.419 6.378 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1Cl 522486911 ZRXBSMFVZFRLAM-VIZSFHNOSA-N 497.904 5.625 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 593513544 WTRLSGGRXDDIKF-STQMWFEESA-N 478.836 5.547 30 20 JKED C[C@@H](NC(=O)c1cccnc1SCc1ccc(Br)cc1)c1ccc(C#N)cc1 603737611 STUHWTPJRBMSHP-OAHLLOKOSA-N 452.377 5.499 30 20 JKED COc1ccc(OC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 603829122 YNSQBIHDEAGTRL-RUZDIDTESA-N 475.976 6.079 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 604146862 LEIULZQBDKRAIT-ISKFKSNPSA-N 477.967 5.977 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 604147248 UEDUBIXSRGUSMC-VWLOTQADSA-N 455.558 5.174 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604193473 LVMBECINFUOAAH-QFIPXVFZSA-N 479.989 5.494 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 604421488 KOVGWZXBYXZRCG-UHFFFAOYSA-N 467.447 5.275 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 608785335 IRIVROFWRJMFCJ-UHFFFAOYSA-N 470.504 6.241 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1 608873154 SQGHBZCHZIFELS-UHFFFAOYSA-N 473.960 5.669 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cc2F)c1 609104379 WCSSBQRJNNIQQA-UHFFFAOYSA-N 459.452 5.642 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cc2ccccc2n1CC#N 609159995 GGKPAZJPHNVBDN-UHFFFAOYSA-N 451.555 5.351 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)CSc3ncnc4scc(-c5ccccc5)c34)CC2)c1 609184721 UFYHYYVUEZOIOF-UHFFFAOYSA-N 486.622 5.392 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609207966 QUNISLHIUWMHMZ-OAQYLSRUSA-N 455.558 6.082 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609213372 FKSIREUWMMOCRA-NRFANRHFSA-N 466.538 5.633 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccccc1OC1CCCC1 609402224 BZYFYDXSJWQNBG-UHFFFAOYSA-N 491.535 5.287 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 609403568 HUCODDAXMABTHQ-RBUKOAKNSA-N 475.536 5.492 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)Cc1ccc(Cl)s1 612653988 BBHWUGKIIDJAKD-UHFFFAOYSA-N 483.446 5.162 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 613404441 NLACQLSTHHEUKK-HXUWFJFHSA-N 477.467 6.256 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 615706604 DWHWDJICMPFMQM-BFHYXJOUSA-N 483.428 5.095 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 615791425 FTLHTSNJXCTVBI-UHFFFAOYSA-N 457.958 5.691 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618554997 BVIAORLPDKDTOH-KYXWUPHJSA-N 482.309 5.668 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 684255205 OIDJRAIOTVVPLP-DLBZAZTESA-N 496.508 5.157 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2c(F)cccc2F)n1 726320408 XLSOBZLYWFKBCY-NSHDSACASA-N 461.877 5.020 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 726398664 LUJQKCQAQIRGTD-HNAYVOBHSA-N 494.444 5.687 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)S/C2=N\[C@@H](C)c2cccs2)no1 726418662 ACQMVPZILKIQPM-UNJCWQMKSA-N 489.022 5.288 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CCCC1)c1cccs1 726420905 JVTUJDDJMBBOTL-DNWDKJSTSA-N 463.575 5.359 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(C)ccc2C)cc1 726569552 DSQPIIVFSSRIMG-UHFFFAOYSA-O 474.650 6.001 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2Br)[n+]2ccc3c(c2)CCCC3)c1 726574036 YLOZARPVLVGOQJ-UHFFFAOYSA-O 490.446 5.920 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2cccs2)cc1 727241253 NFWGCUKDIMOHSQ-XMMPIXPASA-N 455.587 5.106 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)nc1C 727848514 NOKZAPOYSVCGTM-NWDGAFQWSA-N 466.419 5.234 30 20 JKED COc1ccc(OC)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 727978980 RNKIWRMWUYLIHU-UHFFFAOYSA-N 453.951 5.617 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 728232619 SHPFYLBKLYGWCE-UHFFFAOYSA-N 496.148 5.135 30 20 JKED CN(C)C1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2F)CC1 728253333 JMIFEWNOZHZSPC-UHFFFAOYSA-N 472.564 5.059 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776118 IUFIPWOKLZBALV-OAQYLSRUSA-N 493.589 5.174 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)cc1 728777771 OEMGUYMOYVOPCE-OAQYLSRUSA-N 484.025 5.060 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(=O)c2cc(C(=O)OC)co2)[n+]2ccc(C(CC)CC)cc2)c1 729670402 RXAPRVCKMQLIFE-UHFFFAOYSA-O 475.590 5.290 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CCC3)C2=O)c1 730460319 XMVVYHZZTAXGOO-LJQANCHMSA-N 491.585 5.523 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCC2)cc1 730462905 QQUZHAOYWKLYRC-OAQYLSRUSA-N 455.555 5.126 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1)c1ccc2ccccc2n1 730686837 QRVKINGOCKFVDB-KBMIEXCESA-N 475.317 6.133 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c1C 730714015 VUKFFCNICCNIQY-HXUWFJFHSA-N 468.966 5.105 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943734 KBAUPSMMNZREIT-AOMKIAJQSA-N 480.540 5.390 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)cc1 731304906 BTRAEHDFVVYWQP-HXOBKFHXSA-N 474.586 5.071 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731307566 UJWLRRKQKWOVAX-PKTZIBPZSA-N 493.535 5.318 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cc(C)ccc1F 746694077 NWWPRLWCLANETB-OAQYLSRUSA-N 493.551 5.189 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 746696956 WYUIWSGQIWYHKG-IBGZPJMESA-N 493.551 5.481 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1cccc(C(F)(F)F)c1 747599128 GDQBGHVCLGMCFX-SFHVURJKSA-N 490.532 5.322 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(F)(F)F 750395312 MQMCAOSMBZJHMO-QGZVFWFLSA-N 494.922 6.222 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 751085503 WOAJLZXZIHWRNK-LJQANCHMSA-N 483.265 5.107 30 20 JKED CON=Cc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 770276630 YVSBIZNSENJUSJ-UHFFFAOYSA-N 452.919 5.307 30 20 JKED N#Cc1ccccc1/C=C\C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 775063890 MAZWMMNMCQMULS-JGDYFIEFSA-N 461.861 5.056 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CC(F)(F)F)C1=O 799214552 CBZGGWHPYZMWTF-SFHVURJKSA-N 499.942 5.488 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(CC)cc2)N(CC(F)(F)F)C1=O 799220508 DKFYKUXWXRXWRU-FQEVSTJZSA-N 493.551 5.560 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C3CC3)CC2)cc1C 837299004 BAEMAYLDIRSVTM-XMMPIXPASA-N 494.636 5.030 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(CO)c2)ccc1Cl 900348158 PURYKBYNHOXDCN-UHFFFAOYSA-N 491.396 5.119 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 904706645 VFYUUVWCAULAQD-LJQANCHMSA-N 471.989 5.225 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(-c2nc(-c3cc(C)ccn3)no2)c1 904942646 YXKPFUBVAPYIHG-UHFFFAOYSA-N 496.976 5.150 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3ccc(C(F)(F)F)s3)no2)nnc1-c1ccco1 904970601 DXKOEPXHEGSEPP-UHFFFAOYSA-N 453.471 5.537 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 911526996 STFRGQHLNNJLMP-LBPRGKRZSA-N 489.186 5.804 30 20 JKED Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)c4ccn(C)c(=O)c4)cc3)sc2c1 912895618 GEEKPHQTHQMUHV-UHFFFAOYSA-N 474.611 5.237 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCCN(C(=O)c3cccc(C)c3)CC2)c1=S 913066315 JQYNSPULPYSVFT-UHFFFAOYSA-N 482.053 5.035 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(NC(C)=O)c1 913120954 UAIUUNYGDZPRKZ-LJQANCHMSA-N 492.523 5.034 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 915087442 UKHNRHTYSWQJDM-VWLOTQADSA-N 491.513 5.852 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 915104611 UHDCUJCRHPGNQR-MRXNPFEDSA-N 451.502 5.203 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccccn3)C2=O)c1 916205586 QLOWQNQQONNOOW-NRFANRHFSA-N 498.967 5.043 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccc3)C2=O)c1 916209360 KFFJAIRIVMHZLE-HSZRJFAPSA-N 493.560 5.003 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccccc1C(F)(F)F 916210717 HFWACAKCDLIXAO-OAQYLSRUSA-N 483.515 5.866 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2)cc1 916212495 NRKHKQCCYRNPPC-QHCPKHFHSA-N 477.561 5.303 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccccn3)C2=O)cc1 916216580 WZMMFANGSWWUFY-DEOSSOPVSA-N 488.613 5.258 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1 916217904 YJYIEQDAAPFVTL-FQEVSTJZSA-N 451.523 5.196 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc(Br)c1OC 916278758 UICVFCIUECXQGT-UHFFFAOYSA-N 497.418 5.363 30 20 JKED CC(C)c1ccccc1-n1c(SCC(=O)[C@@H](C#N)c2ccccc2)nnc1-c1cccnc1 916622720 ITVMCRLWUICZMT-QFIPXVFZSA-N 453.571 5.421 30 20 JKED Cc1c(Cl)cccc1-n1c(SCC(=O)[C@H](C#N)c2ccccc2)nnc1-c1ccncc1 916622873 PHEVZDUPFUWEHP-LJQANCHMSA-N 459.962 5.260 30 20 JKED N#Cc1cccc(COc2cccc(CNCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2)c1 916835186 JKTPZRFHPJBMHG-UHFFFAOYSA-N 481.518 5.282 30 20 JKED N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)c1nc(O)c2c3c(sc2n1)CCCC3 916847153 MQDJCKSXCKEOGF-GOSISDBHSA-N 453.523 5.594 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1Cl 916938317 LXYXFAPUWGJDKH-QGZVFWFLSA-N 495.322 5.409 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(F)c(Cl)c4)cc3)o2)cc1 916940498 UOIVTQMXDYQPIW-IBGZPJMESA-N 474.879 5.466 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 916955614 SHKUPMQJKMHGGT-KBMIEXCESA-N 478.552 6.187 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 917657537 ZUYOODHBFOWCFQ-GOSISDBHSA-N 484.380 5.129 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1ccco1 917699288 GZDJYLJNWODXEE-HXUWFJFHSA-N 482.924 5.104 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 918034245 LHEPDYFFGWWIME-MHZLTWQESA-N 478.527 6.055 30 20 JKED COc1cc(/C=C(\C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c2ccccc2)ccc1O 919169831 KUYVMVKGVYYAKM-HAHDFKILSA-N 490.943 5.085 30 20 JKED N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc2cc(C(F)(F)F)ccc2s1 920112996 OAMOLQSYXQTPDC-INIZCTEOSA-N 464.896 5.893 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](C)c2ccc(C)s2)C1=O 920170126 JRRJAKJEWRNGQH-VGSWGCGISA-N 479.627 5.787 30 20 JKED CSc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)cc1 920806742 PEXCXGCCAOFCNP-BBRMVZONSA-N 469.538 5.040 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 920868000 ZTVMBFWTAKGCRS-MWTRTKDXSA-N 497.567 5.361 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)cc1F 921253657 LLEAHZZOACATNM-DNVCBOLYSA-N 497.514 5.062 30 20 JKED Cc1nc(SCC(=O)O[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)c(C#N)c(C)c1C 924286886 IZPRTDSQUCROBQ-AWEZNQCLSA-N 476.480 5.344 30 20 JKED N#CCCN(C(=O)COC(=O)c1ccc(C2SCCCS2)cc1)c1cccc(Cl)c1 925490392 FMFIVHAJYUBRRC-UHFFFAOYSA-N 461.008 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CCO2)C1 1778877001 MDDAWLSRTDOILF-FMVDIBJOSA-N 485.068 5.212 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1 1786548331 SFDZGMQLPDWJCY-LJQANCHMSA-N 487.984 5.150 30 20 JKED Cc1cc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)ccn1 1786741554 QBDWQWQEJNAWKE-UHFFFAOYSA-N 472.976 5.296 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cc1 1787680650 QMNIBLDMLWRPIK-JQIJEIRASA-N 488.609 5.263 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccc(C(F)(F)F)c5)[nH]n4)CCC3)cc2)CC1 1787878191 KZUZSIRIFYKVIS-UHFFFAOYSA-N 493.489 5.147 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cnc5ccoc5c4)cc3)CCC2)cc1 1788480471 XBRYPIOUSSNMQO-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc4c3OCO4)cc2)CCC1 1788989005 KLAKJEVTPWYGAK-UHFFFAOYSA-N 462.880 5.028 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)c2cc(O)ccc2n1 1789240180 RGIJTRLEHUXCMF-UHFFFAOYSA-N 490.563 5.111 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)cc2)CCC1 1789287114 IZJJNSGLFLRCDI-UHFFFAOYSA-N 482.506 5.294 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc4cccc(F)c4s3)CCC2)cc1 1789577632 PUGXGHTXDAEORX-RWPZCVJISA-N 475.545 5.500 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3sc(Br)cc3C)CCC2)cc1 1790566019 LSOOKGGOTVNLLD-OAHLLOKOSA-N 492.439 5.368 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc(Br)c3OC)cc2)CCC1)C(F)(F)F 1790633692 PXLATJPUTGGIHJ-UHFFFAOYSA-N 497.311 5.324 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Br)c3)cc2)CCC1 1790661076 GBGARSQSTZRELZ-UHFFFAOYSA-N 459.771 5.264 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C(F)(F)F)n4)CCC3)cc2)cc1 1790706807 VYXNETVWYGJVFZ-UHFFFAOYSA-N 478.474 5.228 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5c(F)c(F)ccc5c4)cc3)CCC2)cc1 1790965900 PMLPYFYQJUHYKE-UHFFFAOYSA-N 496.517 5.641 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790974880 OGYAYUYZJHCHSI-QGZVFWFLSA-N 463.965 5.227 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cn(-c4ccccc4)c4ncccc34)CCC2)cc1 1791587274 KEIKEXKZWLHQPP-UHFFFAOYSA-N 450.542 5.349 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)C2 1792573184 COADLRBFDBTHBK-REPLKXPHSA-N 461.528 5.431 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1798339704 ACORKEQSNGGEFK-IYWMVGAKSA-N 479.448 5.801 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cccc2cc[nH]c12 1800504849 XEWBMJCMZHTEPK-LGKQTMLJSA-N 473.576 5.133 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)cc(Cl)cc2Cl)c(Cl)c1 1800576707 CAWQLCHTZMUYGT-QDMKHBRRSA-N 480.754 5.223 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2)C(F)(F)F 1801703887 OOHGWDINUPNQMM-WKCHPHFGSA-N 494.513 6.002 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1802494689 GODXRTSGMAFZER-SHQCIBLASA-N 482.628 5.456 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1)c1ccc(F)cc1 1803683304 BCKZTRIFZNAOAV-QIEDNPPQSA-N 461.581 5.144 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1804167814 GVTYBIOVUPDKHF-TUSQITKMSA-N 486.081 5.100 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)C4CCC(F)(F)CC4)C3)CC2)cc(C(F)(F)F)c1 1805761293 VIUDAJOKAVAASR-UHFFFAOYSA-N 497.508 5.247 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808488120 SILBPFJYZYFJGT-HFZDXXHNSA-N 475.976 5.118 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1810173160 FTHVKYWNMDXSKE-FJIJXJHWSA-N 496.449 5.241 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c1Cl 1811850912 VVMZKPUTZYTURA-OZXSUGGESA-N 484.987 5.117 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1812587864 SSRHOXCPMNFGPG-CTIGNXTNSA-N 477.992 5.527 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)[C@@H]1c1cccnc1 1812589528 ABYFKJHDHUEQHX-MFSJNOQSSA-N 498.465 5.499 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1813226203 LIZRDYCXZYSYJN-HXOBKFHXSA-N 476.379 5.041 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3cccc(Br)c23)n[nH]1 1814949415 AZJSAURIPWLGRJ-YWZLYKJASA-N 498.425 5.101 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1815656014 CWNLVAWRSJJTDA-MRXNPFEDSA-N 471.385 5.081 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(C(F)(F)F)o1 1816472524 UWXQFORFWYYMLX-VLIAUNLRSA-N 499.493 5.577 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)sc2c1 1816627132 YIQXYMIENZFXHB-QFIPXVFZSA-N 498.612 5.138 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)[nH]n1 1818114599 JVKPHIAICIJIPQ-MIRRCGISSA-N 499.596 5.097 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818163774 DXNZDCNMJOWVEZ-JXFKEZNVSA-N 482.968 5.220 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971494 ADKXTFJRXIZYPP-IVZQSRNASA-N 465.985 5.438 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)[nH]n1 1819554084 DZNQLZFNBBUPCY-GBXCKJPGSA-N 477.653 5.459 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)c3ccc(Cl)cc3)[nH]n2)c1 1820206497 WFUGHOUMLVVIJT-QMHKHESXSA-N 491.979 5.053 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(C)C)cc3)[nH]n2)c1 1820209688 KYRPQXWPTFUUFY-DEOSSOPVSA-N 471.561 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3Cl)n[nH]2)c1 1820427653 VCOBSTSGQKZSSS-OPAMFIHVSA-N 461.953 5.310 30 20 JKED CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)c2ccccc12 1820485328 HOTWLHUETDYLHF-AREMUKBSSA-N 492.583 5.120 30 20 JKED COc1cc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(C)c1 1821253925 QIOSIUUASYKVSA-NTKDMRAZSA-N 485.588 5.282 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)[nH]n2)c1 1821326517 YXSFOBICDLQHGT-NTKDMRAZSA-N 455.562 5.090 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)[nH]n1 1821921245 QWVNCQGUPDXFDM-UTKZUKDTSA-N 450.583 5.031 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc(F)cc(OC)c2)n[nH]1 1822270719 ZEIVERPRLSKVTR-FACVGWQGSA-N 466.557 5.031 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[nH]n2)CCC1 1823378519 LOYWTPOLPIBFNY-OAHLLOKOSA-N 497.880 5.221 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1824142297 MZWMDBSMZZUJKI-QHCPKHFHSA-N 451.636 5.298 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc(C(F)F)c3)CC2)c1Cl 1825404188 GIWLXOUXZBTYEE-OAQYLSRUSA-N 486.950 5.091 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCCC3)CC2)cc1C#N 1826270198 HAACVNINCRSUOQ-AREMUKBSSA-N 479.665 5.549 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CC2)CC1 1826682784 AHWPSIHQIIWTQK-IZZNHLLZSA-N 491.582 5.422 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1)c1ccccc1 1827406511 WTNWEMHLBKPKPE-IZZNHLLZSA-N 487.669 5.431 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1827793245 INZZDSIRCCSAQX-NDEPHWFRSA-N 492.623 5.362 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828253686 DKYHPFQKKYYDFI-UPVQGACJSA-N 465.663 5.606 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1)c1ccc(O)cc1 1828259922 ITYGVFJCVSCWJK-YWEHKCAJSA-N 498.623 5.569 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1828830074 KHCNYVNTTCAYKX-VXKWHMMOSA-N 485.650 5.075 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2SCc2ccccc2)CC1 1829492726 MIAYVHCQAQQFDL-RUZDIDTESA-N 475.658 5.021 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)c1 1829679532 SQPAWXWUAKXCOD-XHEWTTNRSA-N 491.676 5.407 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1Cl 1829690122 LOZZUAMUJLXGQF-RUZDIDTESA-N 487.003 5.307 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nn2C(F)F)CC1)c1ccccc1 1829763749 RYPGIZSKFVQZHJ-DNQXCXABSA-N 496.602 5.017 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)ccc1F 1830362705 BUDLAQMQJBRMFR-LJAQVGFWSA-N 497.614 5.255 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830628231 RBKXZUXJCOVBIL-KDYSTLNUSA-N 473.617 5.178 30 20 JKED Cc1nc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c2s1 1830629152 RNECPIABXDBWDX-RUZDIDTESA-N 486.641 5.218 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)CC1 1830632641 STSKKLQLNOVELR-AREMUKBSSA-N 463.666 5.592 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1831258576 COLUHAPKAIYVHX-LJHNXUKNSA-N 496.648 5.125 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1832030442 PWOPEKIBUNIQTF-SHEYNDHISA-N 475.633 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1 1832091189 LKFSLGVIZDKUKY-FTJBHMTQSA-N 451.655 5.019 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1832355172 DEBOLIQGCWATDY-QOUQAXHDSA-N 476.646 5.025 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1)c1ccc(O)cc1 1832480096 OFVGUKVNIYSYGX-RPLLCQBOSA-N 476.661 5.089 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC(=O)OC(C)(C)C)CC2)c1 1832629838 WIMUBALJMGDYNM-BWKNWUBXSA-N 495.664 5.059 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F 1832707739 IXUAFIYBBQLKES-SFHVURJKSA-N 480.424 5.196 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cc4cccc(F)c4)c3)CC2)c1 1832748421 UDJKNPHWYKUCQN-NDEPHWFRSA-N 498.602 5.163 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1832825952 CZDUIELHADUTJU-PXDATVDWSA-N 495.664 5.170 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1832827761 ARNWGIPGVBTDCP-AREMUKBSSA-N 464.556 5.279 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1832984475 ZKXUXSVOXHKYIJ-JUMFHWHPSA-N 498.614 5.255 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CC1 1838520327 ZOJXLYMJICNUDV-HSZRJFAPSA-N 499.655 5.431 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)CC1 1838776985 OKSSSDJUCYTZME-VABKMULXSA-N 479.665 5.142 30 20 JKED O=C(c1cc(F)c(F)cc1F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C1 1844697137 NSXMYXHWLCSNAT-UHFFFAOYSA-N 494.794 5.046 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 8750559 IJRBQCJHLLETMH-NPMXOYFQSA-N 471.989 5.262 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2Cl)cc1 10826925 YUQRFCVZFINWOW-UHFFFAOYSA-O 473.996 6.860 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)cc1C 14872571 LUFGWNHUWKXAAI-UHFFFAOYSA-O 459.513 5.849 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2C)c1 15078486 AICHZVSFZBCNHN-UHFFFAOYSA-N 458.942 5.421 30 20 JKED C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1[C@H]1COc2ccccc2O1 16621476 UWBISLWOGLKUFB-LJQANCHMSA-N 462.358 5.258 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 20054853 APUIASGFJQAKSO-UHFFFAOYSA-N 476.627 5.904 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccc(Br)cc1 20831179 JHZDHFTUQZWDBH-FQEVSTJZSA-N 483.435 5.180 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCC(=O)N(CC#N)c2ccccc2)n1-c1ccccc1 23428546 XXFJXJUGKRERSZ-UHFFFAOYSA-N 483.597 5.112 30 20 JKED CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 25742059 QRPIXNDPJJZMPV-QFIPXVFZSA-N 482.005 5.781 30 20 JKED CC(C)n1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 25763257 LKPAVTIYITWMJI-UHFFFAOYSA-N 474.417 5.872 30 20 JKED C=CCn1c(SCC(=O)NCCC(c2ccccc2)c2ccccc2)nc2sccc2c1=O 36800068 KTFSDUHEIKZYOH-UHFFFAOYSA-N 475.639 5.075 30 20 JKED CN(C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)c1cccc(C#N)c1 68774605 PAMISSPVICERBL-UHFFFAOYSA-N 481.577 5.230 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)cc1 71943096 AJILHNXYTYJYNA-UHFFFAOYSA-N 467.476 5.072 30 20 JKED COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)[nH]1 104611477 DAWRWADQPXUJKC-UHFFFAOYSA-N 474.011 5.067 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccccc1F 217644962 GHZUFDGNCAEBGP-UHFFFAOYSA-N 467.595 5.203 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)nc2ccccc21 303086591 BONDGLKTLXPLHF-XMMPIXPASA-N 481.556 6.098 30 20 JKED N#C[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(OCc2ccccc2)cc1 303244429 LIDAAHLZKZPXOQ-XMMPIXPASA-N 457.917 5.498 30 20 JKED C=CCN(C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1)c1nc(C(=O)OCC)cs1 409833015 RGNWKPMYRAGYBQ-UHFFFAOYSA-N 484.578 5.060 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1Cl 491570698 SMHNYAZGWQKYRC-PXDATVDWSA-N 465.041 6.115 30 20 JKED COc1ccc2cc(CN(C)C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)ccc2c1 495294201 GSYWUMJQPDBLDO-UHFFFAOYSA-N 452.558 5.515 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 498366433 IAJBZWOCCYDJOJ-HSZRJFAPSA-N 487.408 5.590 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccco2)nnc1-c1ccc(Cl)cc1Cl 499410286 ZSUYIFRTNMXVML-CYBMUJFWSA-N 451.379 5.343 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 504762292 MMODDCHKINYNPU-AOMKIAJQSA-N 458.949 5.763 30 20 JKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 508287306 KIMMZDQMSLHQMW-UHFFFAOYSA-N 464.566 5.052 30 20 JKED CCCC[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1cccc(N2CCCC2)c1 509094525 AQEIMOHOYPIKAR-MUUNZHRXSA-N 480.612 5.753 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCSc4c(F)cccc43)s2)cc1 510158839 DFMITVCTWVCERP-INIZCTEOSA-N 457.581 5.200 30 20 JKED CCCCOc1ccc([C@@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OC 511031307 OYFGTSJXPPOBAY-LJQANCHMSA-N 451.567 5.060 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 512048931 IDDFUDWVLRZAHR-OAHLLOKOSA-N 462.497 5.073 30 20 JKED C[C@@H](Sc1ncccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)N1CCCC1 513682471 WBGCUBQSZICIQG-GOSISDBHSA-N 472.570 5.101 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)cc1 513875122 VZOKRMPUCQOAMI-DEOSSOPVSA-N 457.578 5.239 30 20 JKED Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)n1 515775662 PZKFEJBAAYJPFO-OFNKIYASSA-N 487.991 5.582 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4ccc(OC)c(OC)c4)nc3C)n2)cc1 516713720 HQAKVHFBNXFFMP-GOSISDBHSA-N 491.594 5.758 30 20 JKED CCN(C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)[C@H](C)c1cc2ccccc2o1 516727497 DJUVACBBPPMGNQ-QGZVFWFLSA-N 454.486 5.040 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)n2)cc1 517800749 GGXKUIWGVDBJLV-OAQYLSRUSA-N 471.494 6.009 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccccc2SC[C@@H](C)C#N)cc1 520835915 ZBPSJSIRANEZRT-OALUTQOASA-N 488.613 5.638 30 20 JKED Cc1ccc(-c2c(C)sc3nc(CSCC(=O)NCc4ccc(C#N)cc4)nc(O)c23)cc1 521158777 DWYPSXJYKWCRBV-UHFFFAOYSA-N 474.611 5.102 30 20 JKED N#C[C@@H](C(=O)c1ccc(I)cc1)c1nc(-c2c(F)cccc2F)cs1 521261299 PLNLGRVYCUFPPX-LBPRGKRZSA-N 466.250 5.183 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4ccccc4c3CSc3ncccn3)n2)cc1 523964685 SUAGHRJWELMOLK-IBGZPJMESA-N 482.590 6.437 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(CC(=O)N4CCCc5ccccc54)cc3)o2)cc1 524378828 HADWJDBBEMASHG-UHFFFAOYSA-N 491.547 5.504 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 588348859 AWPPBEJPMZIBSZ-IBGZPJMESA-N 494.359 6.651 30 20 JKED O=C(CCc1ccccc1OC(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589305165 BHBVXRWWGAKHGZ-VXGBXAGGSA-N 451.329 5.544 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 592544895 JJYFOWGOBAZHCL-XMMPIXPASA-N 486.572 5.282 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)cn2)cc1 603763851 ISYUMHMZHSONLH-RUZDIDTESA-N 496.954 5.899 30 20 JKED COc1ccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 603779059 IVBBZEJQUWLHIJ-DEOSSOPVSA-N 455.583 5.230 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)c2)cc1 603814628 UYUVVRGZRYTXFV-UHFFFAOYSA-N 488.594 5.283 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3cccc(NC(=O)C4CCCC4)c3)s2)cc1 604082921 DZYCMGGQRKERIM-UHFFFAOYSA-N 459.575 5.056 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 604088430 VIMNBBUHZYRKLO-QHCPKHFHSA-N 457.921 5.649 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)c2)c1 604181641 BOXLXGOQVMBWHJ-UHFFFAOYSA-N 488.956 5.047 30 20 JKED CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4ccc(Oc5cccc(C#N)c5)nc4)CC3)c[nH]c12 604226496 CPDDSAYSSFHPGT-UHFFFAOYSA-N 493.567 5.134 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1C 604449893 VYUDFDOWYMLDEZ-UHFFFAOYSA-N 476.024 5.082 30 20 JKED CCCOc1ccc(Oc2ncccc2CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 608918614 OEGXLLTYBDPGKZ-UHFFFAOYSA-N 458.562 5.655 30 20 JKED N#C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1ccc(OCc2ccccc2)cc1 609028869 YUBVCQDZNBKZDU-FQEVSTJZSA-N 457.477 5.153 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 609061931 LAQRJLSKRURDGF-RUZDIDTESA-N 475.976 5.492 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)c2)cc1 609176668 RMLLCXPIDHUDEW-UHFFFAOYSA-N 461.468 5.120 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 609376937 LYSPREAMWCNMSK-LJQANCHMSA-N 469.610 6.667 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 609404927 DTZDBMQUFLRUFS-DFBJGRDBSA-N 455.583 5.051 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(F)cc2Cl)cc1 609439893 SJXXFMIUIVERED-MZNJEOGPSA-N 496.007 6.026 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)n2)cc1 613319081 NHCHHKKEMNYCHO-DHLKQENFSA-N 479.561 5.551 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N1CCSc2ccccc21 613426950 LTZWQHHEIWJQQA-MRXNPFEDSA-N 487.050 5.316 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cccs2)cn1 726109347 BRXUKKXPEJDQHW-QFIPXVFZSA-N 489.626 5.278 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc(-c2ccc(Cl)cc2)cs1 726322403 UBDISPJYPNCLGT-KRWDZBQOSA-N 474.929 6.069 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cc3ccccc3[nH]2)cn1 726890452 WIBMCHXOLJQYLV-QHCPKHFHSA-N 499.596 5.040 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)c2ccc(C)cc2)c(OC)c1 726940105 HVVMHTJOLODEDF-UHFFFAOYSA-N 467.569 6.040 30 20 JKED CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)c3ccccc3SCC#N)cc2)CC1 727107515 DYPISUMYHHTULG-UHFFFAOYSA-N 463.647 6.167 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4cc(C#N)ccc4OC(F)F)cc3)ccc12 728013741 DDVYWRYGNIIJCL-UHFFFAOYSA-N 476.435 5.406 30 20 JKED Cc1csc([C@](O)(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C(F)(F)F)n1 728029423 SMTIUBMUGLJYER-OAQYLSRUSA-N 495.910 5.334 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)c1 728182016 QLHIOXLIDNXWIP-UHFFFAOYSA-N 475.570 5.353 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(O)c(C)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 728233005 ZZTFNKRCYDDWCP-JXMROGBWSA-N 485.458 5.642 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)c(C)n1-c1ccc(C#N)cc1 728269466 NPQVKKSYQWEIHK-UHFFFAOYSA-N 478.390 5.164 30 20 JKED CC(=O)N(c1nc(C=NNc2ccc(Br)cc2F)cs1)c1ccc(F)cc1F 728433182 WIXRRNSKFINMFG-UHFFFAOYSA-N 469.286 5.454 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cc(F)ccc2F)c1 729634502 MZTIFYQPQWHLFY-QFIPXVFZSA-N 499.514 5.273 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2Cc2cocn2)c1 730713957 UUUHHEYPLDUKRI-IBGZPJMESA-N 488.491 5.162 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N/C[C@@H](O)c1cccc(C(F)(F)F)c1 730733376 ZISSVCFUONYWMK-PXTMYOSYSA-N 467.079 5.089 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCOCC1CC1 730942373 NWKFTRNXSYCXHE-OAQYLSRUSA-N 490.000 5.174 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731059567 FFIMEECGFPNBAN-CYBMUJFWSA-N 487.940 5.632 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1 731068477 AJSNFVNPANVWEW-OAHLLOKOSA-N 481.599 5.317 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)c(F)c2)s1 731306661 BEQVTIFBQRGEAN-NRFANRHFSA-N 483.590 5.370 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731310754 OZUKHTSKSGHDJF-LJQANCHMSA-N 496.416 5.086 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731312423 LRKUZBMAUSEJIG-HSZRJFAPSA-N 471.538 5.299 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3cccc(Cl)c3Cl)n2)cc1 743457770 KUGIZWSAQCTVHI-MRXNPFEDSA-N 461.370 6.161 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cc(C)ccc1F 743525133 AKZBQSUOTHHMMC-SFHVURJKSA-N 476.371 5.043 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCOC(C)(C)C)C2=O)c1 746696885 WWVVSEBBVZUOCQ-JOCHJYFZSA-N 467.635 5.387 30 20 JKED C[C@@H](C#N)CN(C)Cn1nc(-c2ccc(F)cc2)n(-c2ccc(SC(F)F)cc2)c1=S 746705608 JLOITMSMYWLSME-AWEZNQCLSA-N 463.554 5.573 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCc3nccs3)C2=O)cc1 747601389 FQBIMMBTVDHNHG-HXUWFJFHSA-N 482.606 5.102 30 20 JKED N#CCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)c1 751090155 YLQJOQRYNGJSRM-QGDZQMKYSA-N 453.542 5.154 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 751141735 JTWJZFHHHHFFDO-UHFFFAOYSA-N 468.263 5.282 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 767314916 QWBDLGSQFLKEBD-UHFFFAOYSA-N 499.708 5.395 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CC(F)(F)F)C2=O)c1 799209804 FRWBKFCPAPGGKX-FQEVSTJZSA-N 487.503 5.371 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc2ccccc12 799210801 XGOYTWPMHAISED-QFIPXVFZSA-N 477.973 5.095 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)cc1 799222242 YSTZTNCAVMMZRV-LJQANCHMSA-N 463.525 5.388 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(Br)c1 799224192 QERCIWKDSBAXQB-GOSISDBHSA-N 490.810 5.004 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 837324879 CMIAORMAZOCDHA-HTAPYJJXSA-N 479.005 5.765 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 837448370 XJARNMHYADSRDB-WZONZLPQSA-N 476.577 5.559 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccco2)C1=O 838586535 GNAFCMFFIQGMOX-QFIPXVFZSA-N 499.539 5.507 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)n(Cc2ccco2)c1C 912872775 KTTBXFUVMANYIO-KTKRTIGZSA-N 488.931 5.015 30 20 JKED C=CCn1c(SC[C@@H](O)c2cccc(Br)c2)nnc1-c1ccc(Br)cc1 913112661 CFQZDPKONXGJNJ-QGZVFWFLSA-N 495.240 5.482 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl)[C@H](C)c1ccc(C#N)cc1 914509380 IJEDMIAZJFCXMQ-QGZVFWFLSA-N 499.995 5.399 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc(F)c2)C1=O)Nc1ccccc1F 914772613 GYKUMQTZVDPRLA-OAQYLSRUSA-N 469.488 5.264 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)n2)cc1 915099886 FUWBVWNQGZBVIU-HRNYAPDYSA-N 491.638 5.008 30 20 JKED CCOc1cc(/C=C2/CCc3c(cnn3C)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 915658899 VLFRRQZFAUBYPJ-BOPFTXTBSA-N 499.489 5.068 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2cccc(C)c2)cc1 916207401 XASTXEWYAVZPEA-DEOSSOPVSA-N 489.597 5.173 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(C3CCCC3)C2=O)c(OC)c1 916207742 JVLTWWCGUZXYET-HSZRJFAPSA-N 481.618 5.224 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccn2)C1=O)Nc1ccccc1F 916210608 FQUXZCVJFNBFKJ-HXUWFJFHSA-N 468.941 5.035 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c1 916693174 BKGWQAMSDUECLJ-KNQUJZAFSA-N 497.020 5.064 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(s1)-c1ccccc1OC2 916884440 XMUDQYJKFRXIFZ-MRXNPFEDSA-N 456.495 5.583 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916903323 MMUQATCEGJPKAM-QHCPKHFHSA-N 480.486 6.584 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916906421 QUXNPVXAIYBCCO-CQSZACIVSA-N 469.353 5.663 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916931108 JGLQPMNJFJRYKO-AWEZNQCLSA-N 498.313 6.405 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916944576 IIVANJZOIKDYIP-IBGZPJMESA-N 488.400 5.137 30 20 JKED COc1ccc(CSCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 916975971 HHXOHAWRIXNPKP-INIZCTEOSA-N 473.963 5.490 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 917532203 NPESDYILXJQUAC-UHFFFAOYSA-N 483.859 5.854 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3c(Cl)cc(Cl)cc3C2=O)cs1 917560563 RAXAMSALEOGOMT-SDQBBNPISA-N 479.772 6.447 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)c(F)c2)n1 917687027 LIPFHCNZIWYEKC-QFIPXVFZSA-N 480.540 5.137 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2ccccc2Sc2ccccc2C#N)cs1 918842844 OLGVXKDRUYCRAZ-UHFFFAOYSA-N 499.617 6.516 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 919363713 GNOUKTFLCLLVPH-UHFFFAOYSA-N 488.462 5.923 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1cccc(Cl)c1Cl 919514905 XTPXQTORNFQEDM-CYBMUJFWSA-N 459.285 5.221 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)n1 919525841 QAEOXUOOBKPKOO-CQSZACIVSA-N 451.356 5.520 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 920106272 WBANZUHCQGUDMG-TUYSUELWSA-N 464.365 6.119 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)s4)n3)n2)cc1 920144317 MYPXAMFZPYVDGU-OAHLLOKOSA-N 472.016 6.076 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3cccc(Cl)c3)CCCC2)cc1 920197980 RAWXLVRMKYGXMS-VWLOTQADSA-N 471.988 5.562 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(C(C)C)c1 920360108 VERAYZSRDSLIGH-DEOSSOPVSA-N 490.629 5.253 30 20 JKED CC[C@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)n1nnc(-c2ccc(Cl)cc2)n1 920807121 YNKIQNOSUVNQAF-KBXCAEBGSA-N 484.919 5.223 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc2ccccc12 920867984 ZJNLWSQERJEHHC-MHECFPHRSA-N 491.613 5.091 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccc(O)c(Cl)c1 921297506 FJUNHHVOQVRTDT-NRFANRHFSA-N 456.926 5.513 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)C1 1781674505 DSWCESVIIOKDJE-CERRFVOPSA-N 487.084 5.362 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785809195 YEQSWQBXIBRDPL-DHIUTWEWSA-N 481.637 5.170 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CSc3ccncc3)cc2)CCC1)c1ccc(O)cc1 1786770284 GBTKNIRIKBZPJS-QFIPXVFZSA-N 499.636 5.211 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)SCC(=O)N4)cc2)CCC1 1788523442 GUYVYNIFCSZPAL-OAQYLSRUSA-N 475.614 5.247 30 20 JKED Cc1ccoc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1 1788693172 SCBMJWANTUIDIY-UHFFFAOYSA-N 478.346 5.284 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=C(C)CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1789114850 SCDAABNOLCJAIX-ZJSXRUAMSA-N 495.664 5.726 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nn(C)c(C)c3Br)CCC2)cc1 1789456232 MOGSBCDPSSROOD-LJQANCHMSA-N 485.426 5.007 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1789577705 ZEQIEZZVYOPHIN-NDZAJKAJSA-N 478.552 5.208 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)N3CSCSC3)cc2)CCC1 1789581702 JSMROSQXRXYJNO-SFHVURJKSA-N 461.697 5.156 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3cccnc3)CCC2)cc1)c1ccccc1 1789601962 GGTSZGLAFAEFKJ-AJTFRIOCSA-N 480.612 5.213 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4F)cc3)CCC2)ccc1F 1790071086 HBCABBJAJHQBNR-UHFFFAOYSA-N 484.506 5.308 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCSC4)CCC3)cc2)c1Cl 1790084011 RSMPEJNXRNUDCU-KRWDZBQOSA-N 453.995 5.103 30 20 JKED CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1790178862 ASGHWUIBHXVATJ-OUKQBFOZSA-N 490.629 5.275 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4[nH]nc5c(Cl)cccc45)CCC3)cc2)c1 1790258419 QMYKIWDZLZBWCK-UHFFFAOYSA-N 483.959 5.078 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)cc3F)cc2)CCC1 1790613584 VVBQUWNRAMUAJT-UHFFFAOYSA-N 450.938 5.285 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CCC1 1790740687 KBZWAUGXSNYYRZ-QGZVFWFLSA-N 470.598 5.296 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@]4(F)Cl)CCC3)cc2)cc(C(F)(F)F)c1 1790787362 IAEHDUUMXPSMHY-XMSQKQJNSA-N 479.861 5.249 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)c4ccccn4)cc3)CCC2)cc1C#N 1791943743 FUNQUEOEZCBCJZ-FQEVSTJZSA-N 482.584 5.292 30 20 JKED COc1cc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)ccn1 1792123116 JOPSXHGKGHLLJA-HXUWFJFHSA-N 482.584 5.098 30 20 JKED COc1cccc(OC)c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124682 CZARIUREBXWYON-LJQANCHMSA-N 483.568 5.392 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1ccc(Br)cc1 1800027677 SGGROGKJUFSGMT-ADYITMSISA-N 489.454 5.015 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2ccccc2)C3)c(Cl)c1 1800690527 PTEDSBJPVFRDLM-WKCHPHFGSA-N 485.971 5.570 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1803084636 UOHUVWODQYPKHE-RDGATRHJSA-N 474.630 5.088 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1804374259 JLCUIVNGVLDRML-OOCOHFSZSA-N 468.601 5.051 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)C1 1806027561 AXHLENOTBMPFAZ-HXUWFJFHSA-N 482.571 5.068 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 1806067006 PECIOGNSZZZPKJ-SFHVURJKSA-N 477.885 5.446 30 20 JKED O=C(CCCC(F)(F)F)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)C1 1806542924 BNLMSYSSGHMMRP-UHFFFAOYSA-N 482.440 5.422 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(F)c3)C2)CC1 1810382929 DEPMONIYMSSADV-UHFFFAOYSA-N 477.624 5.725 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)C2)CC1 1810442650 ZNBOUNAGWITVJP-VWLOTQADSA-N 490.673 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1810493976 AXFYPUOBPKJWFE-QPPBQGQZSA-N 465.638 5.593 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1811185996 JTMGXPDUDNFKRT-AHKZPQOWSA-N 488.676 5.384 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[C@H]1c1cccnc1 1811263580 HSOOJDDHOPBWIK-HRRBBWQUSA-N 493.611 5.157 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811439627 UXDDROSRZZOGLO-RCXJIHSJSA-N 491.632 5.162 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811538762 NWYWGYNVKXHPTJ-IRPSRAIASA-N 465.597 5.180 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)cc1 1813954349 CDBTVPDMAKCNSH-WDYNHAJCSA-N 486.575 5.254 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)ccc2n1 1814379583 GVFFQXBZZOPKJB-AREMUKBSSA-N 492.583 5.077 30 20 JKED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814932838 FRTSMXIJQOPPCG-YXIOWOIOSA-N 497.039 5.068 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1815216324 RTXHEKWAKQTLDY-KKSFZXQISA-N 489.601 5.070 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1815655649 UUVHQNNNIYRHNL-DEOSSOPVSA-N 499.640 5.555 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c(C(C)(C)C)c3)n[nH]2)c1 1816111840 VERTUHLWPMUVJX-VGSWGCGISA-N 472.593 5.282 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)cc(C(F)(F)F)c1 1816696230 JQRKZXSBAPEUCX-NRFANRHFSA-N 487.526 5.576 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(F)CCCCC2(F)F)n[nH]1 1818889091 AMJMWRYXVREFLI-JTSKRJEESA-N 454.537 5.312 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)[nH]n3)cc2n1 1818971612 HTBLNGQFGKTSTH-DEOSSOPVSA-N 498.974 5.411 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2Cl)[nH]n1 1819303121 QASZSPCQBAOMEO-WIYYLYMNSA-N 458.965 5.205 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1819359959 JVLOHLMTRNPQHE-FUDKSRODSA-N 487.044 5.068 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384750 WGQJHPFKPCDZOW-HSZRJFAPSA-N 481.717 5.031 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)c2[nH]1 1819385499 WQKRKIYKEVWWRK-HSZRJFAPSA-N 489.696 5.556 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)[C@@H](C)S)[nH]n3)ccc21 1820225599 KULKCEDPFAVNRI-WAIKUNEKSA-N 475.618 5.162 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)c1 1820484020 OGRNASHZVNDSIR-VWLOTQADSA-N 490.567 5.272 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)cc1 1820598934 UJIBDVLLUHOSBF-NRFANRHFSA-N 481.478 5.228 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3)n[nH]2)c1Cl 1821131034 OYDQBNBWPSGRCN-LJQANCHMSA-N 499.905 5.156 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)c1 1821273254 GCBJSPLBZDTXPR-IBGZPJMESA-N 486.334 5.347 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)[nH]n2)c(Cl)c1 1821275233 ZFSNLUDEFJMISJ-JOCHJYFZSA-N 491.954 5.112 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4ncccc4c3)[nH]n2)c(Cl)c1 1821278830 YDSVKNWHZLAJJF-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)ccc(Br)c2C)n[nH]1 1821335130 FGLZYPVBXUPBCB-LJQANCHMSA-N 489.389 5.119 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)[nH]n1 1821926847 XMYLIYFSOICPMK-GCJKJVERSA-N 485.028 5.016 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)[nH]n1 1821986832 ONXOVBGCIQWAQJ-GOSISDBHSA-N 471.533 5.051 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@]3(C)CC=CCC3)n[nH]2)cc1C#N 1822980694 JSXVYZUQSUCSQV-CUNXSJBXSA-N 475.593 5.121 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1)c1ccccc1 1823210903 IDWNOSFPIDDHOX-HFRGRHLUSA-N 469.589 5.536 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)[nH]n2)c1 1823211775 BEXXSCITNVAHPJ-UUOWRZLLSA-N 494.555 5.311 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)COc3cccc(Cl)c3)[nH]n2)c1 1823212113 QROCUDDYDSRVMD-SBUREZEXSA-N 491.979 5.075 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2C(F)(F)F)n[nH]1 1823303235 STIIMRGJXHQHRL-MRXNPFEDSA-N 474.405 5.085 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)n[nH]2)c1 1823391658 FPYISQIZSMVQLQ-CUWPLCDZSA-N 487.526 5.264 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)c1 1823973698 HIQWVQJRDBXUJL-NIYFSFCBSA-N 494.035 5.257 30 20 JKED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)CC2)C(F)(F)F 1825264546 UXTOXOCAMZAAQN-AWEZNQCLSA-N 495.910 5.401 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)ccnc3Cl)CC2)c1 1825372238 WFBDETYZDKWHFP-VGOFRKELSA-N 482.987 5.048 30 20 JKED CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)cc1 1827328977 QSTRKHZYWSKNMR-QHCPKHFHSA-N 498.549 5.082 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)c(Cl)c1 1827985269 QXMZYSKGQYAFRB-IBGZPJMESA-N 460.361 5.005 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360814 PXFXPSIMSSKHBQ-DBVZYWDVSA-N 463.622 5.022 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(C)nc2C)CC1)c1ccccc1 1829029450 AVZXPPPZWNSHCN-DQEYMECFSA-N 477.674 5.190 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2F)CC1 1829066675 RACICIPMGRFZLY-RUZDIDTESA-N 472.645 5.379 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)cc1 1830015490 IEWVTZICGKOZQR-FQEVSTJZSA-N 463.628 5.382 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274003 FCIAPUQGQWGPBR-ZJSXRUAMSA-N 495.067 5.411 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3O)CC2)c1 1830955081 QXYPPGPHMKQXMS-UQBPGWFLSA-N 485.584 5.313 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1831502892 LKPZYWZHAHRACH-FIPFOOKPSA-N 471.645 5.304 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1831514839 KSUGDEJXWXBUCV-NEKDWFFYSA-N 471.645 5.407 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(-c4ccccc4)ccn3n2)CC1 1831849388 VKLYWVAHWSIFEU-MUUNZHRXSA-N 482.628 5.038 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1832030399 MGWNBSMRUFCLCN-DEOSSOPVSA-N 487.566 5.614 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1832031286 HNLGTQIPCRTWBT-VWLOTQADSA-N 479.665 5.098 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1832628787 AYVNJNYYXQMGSL-RXFWQSSRSA-N 477.674 5.550 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 1832633144 CMVBLQAXDFYMCT-KBMIEXCESA-N 464.009 5.514 30 20 JKED Cc1cc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1832635803 SPNFOTVCAAGJHT-BCHFMIIMSA-N 479.571 5.447 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)CC1 1838223651 CTNJNELHCZMNBO-UHFFFAOYSA-N 497.007 5.378 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 1838374015 ZOWPYIZYYKVSFU-GOSISDBHSA-N 485.477 5.436 30 20 JKED C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 1846779731 AUVANGGIGKWOOA-SFHVURJKSA-N 472.507 5.527 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)c(Cl)c1 1846895832 VDBSQCGIXNPVGO-UHFFFAOYSA-N 482.289 5.015 30 20 JKED N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O 2048518088 GHILNKWBALQPDP-UHFFFAOYSA-N 456.496 5.352 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(OC(F)F)cc2)c1 10172843 CRHZGLGDQIXFLC-UHFFFAOYSA-O 455.550 6.058 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1OC 10242803 HIQCKUDLSOAEIJ-QGZVFWFLSA-N 450.608 5.557 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760448 RNDDBSJCNKIIRI-UHFFFAOYSA-O 464.920 5.162 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 10830725 LQGDFOHRCPBZRP-UHFFFAOYSA-O 455.047 5.931 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)ccc1Cl 12009423 COVYIBKAFYVMBB-UHFFFAOYSA-N 495.482 6.317 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c(Cl)c1 15248348 XJSBMQGWICPUDS-UHFFFAOYSA-O 464.825 6.602 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccc(F)cc1 20330088 WJHVPNTZRMCUMP-UHFFFAOYSA-N 450.539 5.305 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1ccc(Br)cc1 22101156 NVZUWQNOFOKUOB-GFCCVEGCSA-N 478.803 5.061 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 22140888 FXJPRZDWPVCKKW-UHFFFAOYSA-N 487.968 5.966 30 20 JKED CCc1nc2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2nc1CC 22379667 IGBVRZBVPXGSPJ-UHFFFAOYSA-N 460.588 5.022 30 20 JKED COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)sc2C)cc1 23942156 XCIFVRPWJLZSJK-UHFFFAOYSA-N 452.557 5.143 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1C#N 24140076 BGBBIABSZXFSDX-UHFFFAOYSA-N 463.570 5.047 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)nnc1-c1cccc(C)c1 24176313 XJCFWBABMFRJNK-UHFFFAOYSA-N 491.642 5.882 30 20 JKED N#Cc1c(CCCNC(=O)CSc2cccc3cccc(Cl)c23)nn(-c2ccc(F)cc2)c1N 25167935 PZBGTSACIMGVNA-UHFFFAOYSA-N 493.995 5.113 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1-c1ccco1 29547687 FZCOFJCVEGXXEQ-NRFANRHFSA-N 480.977 5.858 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 116525379 OXXXGBRYZSBAKM-UHFFFAOYSA-N 458.474 5.120 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 139750046 ZSMGYACZLGSQSK-UHFFFAOYSA-N 464.550 6.606 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(N3CCCC3=O)cc2)nnc1-c1ccc(Cl)cc1 248012691 RVNLBBUHPQAEJE-UHFFFAOYSA-N 482.009 5.032 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3ccccc3COc3ccccc3)nc2C)n[nH]c1=S 303287756 AKYPUIWQUGCOCO-UHFFFAOYSA-N 463.588 5.390 30 20 JKED O=C(NCc1cc(F)ccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 409762865 KHHXCGCAKPPBHB-UHFFFAOYSA-N 484.734 5.167 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 410250123 LZKDAUXQGLSEIL-UHFFFAOYSA-N 476.374 5.624 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](c4nnc5ccc(C(F)(F)F)cn45)C3)c2)cc1 484889505 BYDJQJQTSSQGIL-IBGZPJMESA-N 491.473 5.432 30 20 JKED CCCc1nc(C)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1 487389126 NJAWFHBMZPZEIT-UHFFFAOYSA-N 450.511 5.594 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1C 499837496 DZQYMUIYTAYBAG-UHFFFAOYSA-N 469.520 5.337 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500000521 IPPXJCRGUKBVOM-UHFFFAOYSA-N 473.989 5.154 30 20 JKED CCn1c(SCC(=O)Nc2nc(C)c(SCC#N)s2)nnc1-c1ccc(Cl)cc1Cl 504803438 ZDVWUJBVEFJPQZ-UHFFFAOYSA-N 499.474 5.383 30 20 JKED COc1cc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OCC(F)(F)F 505034382 CMFQUBHTCICWMS-UHFFFAOYSA-N 475.492 5.127 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1 508165617 SPFCPBOIKDFDGX-UHFFFAOYSA-N 453.901 5.509 30 20 JKED C=CCn1c(SCc2nc3cc(F)ccc3n(C)c2=O)nc2scc(-c3cccs3)c2c1=O 508720068 RDZWBNYVVVXXTK-UHFFFAOYSA-N 496.614 5.051 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)c1 509558527 IVTIAUXNKJUWSF-QFIPXVFZSA-N 484.600 5.251 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc3ccccc3s2)nn1-c1c(Cl)cccc1Cl 510363023 JYGADCGSCVYUGS-LBPRGKRZSA-N 456.358 5.797 30 20 JKED C[C@H](Sc1ncccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)N1CCCC1 513682472 WBGCUBQSZICIQG-SFHVURJKSA-N 472.570 5.101 30 20 JKED N#Cc1c(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)sc2c1-c1ccccc1CC2 515628473 BMBPJBDXQFJFDR-UHFFFAOYSA-N 496.569 5.015 30 20 JKED C[C@H](Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 515717612 QBHJXVDFKMNMCS-KRWDZBQOSA-N 490.604 5.648 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@H]2CCCc3ccccc32)cc1Cl 515881796 KZPOZJLTWANRKD-HYBUGGRVSA-N 457.961 5.170 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(OC)ccc(Br)c4[nH]3)n2)cc1 516270091 MWFPLSLGTJEWLK-HNNXBMFYSA-N 482.359 5.561 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-])c1ccccn1 516714136 QRYOWIJRUKLPOJ-XJKSGUPXSA-N 477.933 5.916 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1Cl 520515326 TYQIGYVEGPZYDW-QHCPKHFHSA-N 488.374 6.111 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccccc1-c1ccccc1C#N 523187605 KZAPXSZRHSGIEW-UHFFFAOYSA-N 462.347 5.055 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 524711703 IFUPKRYABGLKAC-QHCPKHFHSA-N 475.932 5.256 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(Cl)cc1 571311269 ZOGTZPZYYUVCEP-CYBMUJFWSA-N 470.023 5.326 30 20 JKED CCOC(=O)c1c(NC(=O)c2cccc(C#N)c2)sc(C(=O)Nc2ccc(C)cc2C)c1C 603466303 FIWYPTRFERUFGW-UHFFFAOYSA-N 461.543 5.226 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 603658219 SWGIWFXBGXDRET-UHFFFAOYSA-N 463.603 6.191 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 603801418 XQYIKVLPAFYOAL-UPVQGACJSA-N 477.948 5.430 30 20 JKED N#Cc1c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)nc2c(c1-c1ccco1)CCC2 603818605 SUOHJJPOLDORLO-HXUWFJFHSA-N 484.537 5.358 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)cc1 604464488 CFDWVWNVARGTSJ-QLPKVWCKSA-N 499.411 5.315 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2oc3ccccc3c2C)cc1 608795845 YVKCEKNXMNQRGS-KRWDZBQOSA-N 469.497 5.230 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)NCc4ccncc4)c3)cc2)cc1 608891898 RQMUYDGLMYHFRO-UHFFFAOYSA-N 492.539 5.389 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C 609061113 RWXZEMHWZVITLT-UHFFFAOYSA-N 468.532 5.569 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cc3ccccc3n2CC#N)cc1 609162669 PWPPSQJTZFFERS-UHFFFAOYSA-N 450.542 5.967 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1Cl 609164349 LSPSCQFEQLMZOC-HYBUGGRVSA-N 472.976 5.878 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)c2)cc1 609176181 ATWCLFBGKVVNPR-UHFFFAOYSA-N 473.492 5.731 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2ccccc2c1Br 609369849 NYXHCEMINHWLRQ-OAHLLOKOSA-N 455.377 6.014 30 20 JKED C=CCn1c(SCC(=O)NCc2cccnc2OC(C)C)nnc1-c1ccc(Cl)cc1Cl 611908166 ZKNCQWQTMYWSHU-UHFFFAOYSA-N 492.432 5.029 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 613404180 KBXFSPLDSZAFAY-CQSZACIVSA-N 497.527 6.124 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)nnc1-c1ccccc1F 613906605 SXDASVUFKUYENR-XMMPIXPASA-N 484.600 5.537 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1[C@@H]1COc2ccccc2O1 613907266 CQXROARZRZIVDX-HXOBKFHXSA-N 490.585 5.035 30 20 JKED C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 615846045 LMMASIZFNSVOLW-QGZVFWFLSA-N 483.465 5.509 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc3ncccc23)C(C)C)nnc1-c1ccc(OC)cc1 639429418 LOPAOHUTDGVLEL-QHCPKHFHSA-N 473.602 5.443 30 20 JKED C=CCN(C(=O)c1sc(COc2ccc(F)cc2)nc1C)c1nc(-c2ccccc2)cs1 643611479 RZIQPCYIPAGBPB-UHFFFAOYSA-N 465.575 6.126 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1 726321808 NHZYHBMEWPSHHU-SFHVURJKSA-N 459.552 5.390 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1C 726396691 FZZCHHXIBHJJQA-NFBKMPQASA-N 467.635 5.306 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 726398642 LJWJVQZYQKUULG-RBZFPXEDSA-N 495.979 5.312 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(-c3ccccc3)cc2)cc1 726572086 QRUXWPZVEIDOMC-UHFFFAOYSA-O 483.016 6.798 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4)n3)s2)cc1 727973985 CXJUGNUGSCJLOF-MDWZMJQESA-N 493.585 6.303 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C#N 728424528 CTUDOFFDZITFET-UUOWRZLLSA-N 497.580 5.005 30 20 JKED CN(C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1)C(=O)OC(C)(C)C 728739906 ICUGSIWSMBJKED-HXUWFJFHSA-N 464.566 5.461 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2scnc2C)cc1F 729144797 GAZSYOQHUNEFCK-FQEVSTJZSA-N 498.605 5.068 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](c2ccccc2)C2CCC2)cc1Cl 729145152 IYDOUEZZZQSBJC-UPVQGACJSA-N 493.032 5.353 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(C)C)cc1 729630844 BGQBFGHNPAADOV-ZEQRLZLVSA-N 477.630 5.070 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ncccc2C)c(C)c1 729634660 QFOGUQKXZOMTSC-XMMPIXPASA-N 483.597 5.039 30 20 JKED COc1cccc(NC(=O)/C(=C\c2ccc(OC)c(OC)c2Cl)C(=O)c2ccccc2)c1 730435152 XXDPXAORBDHMPW-ZHZULCJRSA-N 451.906 5.271 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)c1 730527918 JVVNBOXIGRMJSP-HSZRJFAPSA-N 475.570 5.205 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1Cl 730714993 IYRREWLPOMWYJT-NHCUHLMSSA-N 492.004 5.086 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cocn1 730719278 YQXVEQUIRIMTIZ-DEOSSOPVSA-N 484.581 5.551 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1[C@@H](C)c1cccnc1 730943321 CEEHCQMIRGQHLD-MHECFPHRSA-N 488.613 5.374 30 20 JKED Cc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1NC(=O)c1ccco1 731059455 ALDOVUOYPUJMCS-KRWDZBQOSA-N 477.542 5.030 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccnc1Nc1ccccc1F 731062723 FMVATCHMBZVHIA-MRXNPFEDSA-N 464.522 5.012 30 20 JKED N#C[C@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1cccc(Cl)c1Cl 731195978 SIBUDSANDNBECZ-ZDUSSCGKSA-N 457.542 5.885 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2F)cc1 731309778 WPCIYKWBJMIXLP-HSZRJFAPSA-N 493.560 5.091 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 731316498 ZJNXJYRAIBHAGO-BTYIYWSLSA-N 497.646 5.008 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(Br)s2)c1 744761644 MSTUEFGDMVLKCM-UHFFFAOYSA-N 451.415 5.284 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c(C)nn(Cc3ccccc3)c2C)c1 744762226 YUSIGFSRRJMIPW-UHFFFAOYSA-N 474.634 5.321 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2sc(Nc3ccc(C)cc3)nc2Cl)c1 744796066 DRVAXSUWHXPYOJ-UHFFFAOYSA-N 487.010 5.199 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)NC3CCN(c4ccccc4C#N)CC3)cccc2c1=O 747335750 GHBBEYNRQSKEBS-UHFFFAOYSA-N 463.537 5.039 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2)n1 749048890 QDPWLFXNRRNGAE-DEOSSOPVSA-N 464.525 5.302 30 20 JKED C=CCn1c(SCC(=O)OCc2nc3ccccc3n2C)nnc1-c1ccc(Cl)cc1Cl 750107129 ZAMAPPUCTUHEEW-UHFFFAOYSA-N 488.400 5.160 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1C 752873641 HEFRALJDCHDKKE-UHFFFAOYSA-N 453.951 5.184 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1cccc(OCc2ccccc2Cl)c1 767308110 KFHUUDIMRGXLIA-UHFFFAOYSA-N 468.738 5.274 30 20 JKED CC[C@H](C)CCCCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nc2ccccc2c1=O 792556650 OXVACVKLSPEQGU-IBGZPJMESA-N 487.629 5.139 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(=O)oc2cc(NC(C)=O)ccc12 825130649 BVLXRLMCHSLLBR-UHFFFAOYSA-N 496.976 5.054 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@H](C)c2ccccn2)c1 837381254 FRCZMIORKCKWOD-VGOFRKELSA-N 489.557 5.020 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2C)cn1 837401404 DYQVBQKSYGWAMT-JOCHJYFZSA-N 492.576 5.007 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3ccccn3)C2=O)c1 838239616 UOBCMJDXSRUKJV-UZUQRXQVSA-N 492.576 5.259 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(N(C)c2ccccc2)cc1 839414311 CWEMEYTWFBFJTB-UHFFFAOYSA-N 459.575 5.195 30 20 JKED COCO[C@@H](C)c1cc(F)c(CNc2ccc(Br)c(C#N)c2)cc1Br 864013485 UAPKUXKCPBKYIJ-NSHDSACASA-N 472.152 5.516 30 20 JKED N#Cc1c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(F)cc2)sc2c1CCCCC2 900678816 YUAQWMCTLOZHQR-UHFFFAOYSA-N 476.529 5.054 30 20 JKED CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(c3nc(-c4ccc(C(F)(F)F)s4)no3)C2)C1 904965984 XTACVKSZEKHJNV-WZEQGRABSA-N 454.474 5.071 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@H]2C[C@H]3CC[C@H]2C3)[n+]2ccc(C(C)(C)C)cc2)C=C1 912844164 NKMDBVLQDLHOKS-LEDOBFOHSA-O 464.655 5.031 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1 915786714 IPNDDSJRTWPGTC-RRPNLBNLSA-N 463.512 5.325 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1Cl 916209540 MPRGBPQKOVPKCZ-LJQANCHMSA-N 480.417 5.299 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CC2)C1=O 916217835 XDMVRYDCUFMLBE-FQEVSTJZSA-N 491.535 5.617 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 916901833 AYBBGWLOAIICDB-INIZCTEOSA-N 472.328 5.246 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 917507270 SYRWINKTNYNNBR-JQYPEGPJSA-N 464.518 5.281 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2cc(C)c3cc(Cl)ccc3n2)cs1 917542823 SQUBHEYOMFEWGR-UHFFFAOYSA-N 470.385 6.437 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccsc2)c1 917696530 PUHPXTPFWQCKOY-QFIPXVFZSA-N 492.626 5.175 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 918313200 YBVYRMCEEFHNBB-SVBPBHIXSA-N 467.569 5.433 30 20 JKED CS(=O)(=O)Nc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 918680260 MZQHOIZUFIIGKD-MLPAPPSSSA-N 467.934 5.027 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2ccc3ccccc3n2)c(OC)c1 920105827 FYGSTCOAFOIAQH-XMMPIXPASA-N 475.548 6.209 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3CSc3nc(C)cs3)n2)cc1 920143577 RSFYEUVVAWZXFZ-FQEVSTJZSA-N 477.636 6.366 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc(-c2ccncc2)cs1 920264951 FLCVYFKODMAFSI-QGZVFWFLSA-N 481.400 5.510 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(Cc2c(C)noc2C)C1=O 920353643 OLQZMAFYOQDFNL-HSZRJFAPSA-N 492.601 5.077 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C[C@H]2CCCO[C@H]2c2ccccc2)C1=O)NC1CC1 920357486 UUGDYWQEOBWRDV-OUOWLKGYSA-N 498.048 5.108 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1 928671461 CYYOCPHCQPGYJM-IBGZPJMESA-N 486.528 5.209 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OC)c3Cl)CCC2)cc1 1786676267 DOOAAPOPZFSFAN-UHFFFAOYSA-N 475.010 5.024 30 20 JKED CO[C@@](C)(C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1cccc2ccccc12 1787888469 OWCMEMYXAYQDQY-HHHXNRCGSA-N 455.558 5.139 30 20 JKED CCc1[nH]nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1Cl 1788303685 SZOMUYGTFFQSNC-INIZCTEOSA-N 475.980 5.314 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4n[nH]cc34)cc2)CCC1 1788381654 UABRFUIHXWGTIE-UHFFFAOYSA-N 465.985 5.351 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ncccc45)cc3)CCC2)c1 1788906477 MDOQEKZFMMOIOQ-UHFFFAOYSA-N 476.536 5.177 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)CCC2)cc1 1789458273 SOGJZYZCVNJPKT-OAQYLSRUSA-N 493.560 5.128 30 20 JKED Cc1cncc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c1 1790081739 GVCHSYPSHOVJCF-UHFFFAOYSA-N 472.976 5.296 30 20 JKED C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1)Oc1ccccc1 1790258909 UFCLCRQSRXKTEQ-HXUWFJFHSA-N 453.542 5.164 30 20 JKED COC1(CC(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)CCC1 1790747070 ZPOHNURPAJPMFD-UHFFFAOYSA-N 496.405 5.028 30 20 JKED Cc1cccnc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790763928 GWAWRHYDVFXBAI-UHFFFAOYSA-N 472.976 5.296 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5cn4)cc3)CCC2)c1 1790830769 TZVBTESNPBJFJK-UHFFFAOYSA-N 464.525 5.080 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)cc2)CCC1 1790844259 WILCKARCKOFXDU-HXUWFJFHSA-N 490.551 5.055 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)nc1C 1792122183 DWZOGZOPCYLVAP-IBGZPJMESA-N 452.558 5.387 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CCC2)cc1 1792236459 HKVCYXAHWGHKKE-DQEYMECFSA-N 483.543 5.014 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CCCc4c2[nH]c2ccc(Cl)cc42)C3)c1 1799603453 QIPFOOFLHIIHTQ-KGSLCBSSSA-N 487.003 5.065 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1 1800279071 ISEOLBRKUAMCJD-RBZNUJCTSA-N 452.545 5.349 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)cc1 1800514807 COPWVFHWWGCLST-PNVLYOGYSA-N 480.612 5.287 30 20 JKED CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)s1 1800690550 NOJRIIJQEOWAKO-BJWYYQGGSA-N 456.011 5.136 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3cccc(Br)c3)cc2)C1 1800837930 KHRVLIIJWRDTIH-BKFWDETESA-N 479.418 5.334 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1804375557 NQCDWFRBYWHLJI-UPNDKVRUSA-N 470.617 5.275 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CC3)C2)c1 1805328348 PUBZSCFSQIWMBT-IZZNHLLZSA-N 490.047 5.179 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4CCc5cccc(Cl)c54)CC3)C2)c1 1805328711 HDTDRTNRPSGNCM-XMMPIXPASA-N 490.047 5.105 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c1Cl 1807966361 PVTUBNUBTCELNP-XMSQKQJNSA-N 490.972 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)s2)[C@@H]1c1cccnc1 1808795622 HQADSUALJZHMKB-LGVFNWMJSA-N 465.663 5.529 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1810270832 AAKOZOMDJPWQOQ-DANFDKMISA-N 489.736 5.251 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1810488135 DDKCMOFTZXRVFY-BJSBLRLRSA-N 451.636 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)[C@@H]1c1cccnc1 1810505644 ZLGMFDLRTGLJQQ-ZEQKJWHPSA-N 492.639 5.133 30 20 JKED Cc1cc(F)c(F)c(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1811971366 AXHRSDZWOGZVBL-HFZDXXHNSA-N 497.662 5.039 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813967408 IWCJMMFZINPFBA-VIZSFHNOSA-N 489.513 5.328 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)[nH]n1 1814441435 JFICBIZDLIKWSD-FQEVSTJZSA-N 487.608 5.028 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)ccn1 1816106444 KRJXTCMOJNVECW-HXUWFJFHSA-N 490.995 5.247 30 20 JKED CCC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1)n1cccc1 1818062550 GTSGISNQBBFSTA-CTUHWIOQSA-N 472.593 5.186 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ncccc34)n[nH]2)c1Cl 1818473261 VKKFMWSNAPNXSG-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ncccc34)n[nH]2)c1 1818474347 CZRCKULFRLJDOR-AVRWGWEMSA-N 478.556 5.205 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)[nH]c12 1819026357 JYUJZGXMKAZJND-KOSHJBKYSA-N 480.572 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1819307032 MLOYAHDQRGKQIX-XMSQKQJNSA-N 499.537 5.984 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)[nH]n2)c1Cl 1820219366 QJUBBNXREPXLIW-JTSKRJEESA-N 493.917 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2cc(OC)ccc2OC)n[nH]1 1820928767 AHLHAPZIHGWFJQ-VWNXMTODSA-N 494.636 5.210 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1820973421 IZBJPAXNDLZYJC-QFBILLFUSA-N 467.595 5.040 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c(C)c1 1821277166 LCRHRUFSBHOTEH-QFIPXVFZSA-N 491.979 5.180 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4ncccc4c3)[nH]n2)c(Cl)c1 1821278829 YDSVKNWHZLAJJF-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c1 1821307347 PQZNTWDCTHEHRD-AVRWGWEMSA-N 467.573 5.534 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[nH]n1 1822401302 JPQNXMSHPJTIAV-RCZVLFRGSA-N 464.516 5.490 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc(O)cc1 1822466756 MMFKZXWSYKCAKI-PHDUCBFRSA-N 488.632 5.131 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)[nH]n2)c1 1823211942 CZQKRNNDSRORRK-VBKZILBWSA-N 497.386 5.358 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)[nH]n2)c1 1823215275 PMOQNSHATKEBKV-YCRPNKLZSA-N 472.574 5.199 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCc4ccccc4C3)[nH]n2)c1 1823217690 WONZPIYLLFUWII-YZXAJQSBSA-N 481.600 5.148 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OCC4CC4)cc3)n[nH]2)c1 1823268898 SWPUFWOERIRDLK-AREMUKBSSA-N 497.599 5.009 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccccc3)[nH]n2)cc1C#N 1823295039 XJTNWCLTEVYFLI-LSQMVHIFSA-N 497.599 5.178 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 1824761814 FDIZEVRDXFXSMS-RPBOFIJWSA-N 497.680 5.006 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)CC1 1824779820 WONMJXAFTJMMHA-AREMUKBSSA-N 461.650 5.389 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@]23CN(Cc2ccccc2)C[C@@H]3C)CC1 1824812521 VYIMKKHMDAILHA-GGCIBVLUSA-N 491.720 5.121 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)c(OC)cc(OC)c2F)CC1 1826772073 NKXDXMWTWNYZCD-IBGZPJMESA-N 492.607 5.208 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccsc3)CC2)cc1C#N 1827105321 SHNPELCANSADHX-RUZDIDTESA-N 493.673 5.273 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1)c1cccs1 1827682412 AYNMHLZTIXGTQJ-FGBWHXJSSA-N 476.598 5.167 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684630 KYFUBEVXXAMCRD-ZOGNMOHXSA-N 492.685 5.473 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1828827201 TXELLPGLLIFGTI-ZEQKJWHPSA-N 495.067 5.732 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccco2)CC1)c1ccccc1 1829031298 XREUKGSLHHUASF-SXOMAYOGSA-N 460.618 5.029 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)CC1 1829369761 GFQYQIQEVBIKEP-GMAHTHKFSA-N 474.045 5.135 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829569750 AZIGFXPNPRARNV-VWLOTQADSA-N 486.616 5.250 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1Cl 1829689842 SWPZQSZBHCHNCF-JOCHJYFZSA-N 470.400 5.412 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830054809 ZQHIOMZEMAMOES-QHCPKHFHSA-N 487.497 5.263 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3F)CC2)c(Cl)c1 1830084131 WEFXHTMSPDYAJQ-QFIPXVFZSA-N 471.935 5.037 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)ccc1F 1830360607 LKXHLHLSIPOMJV-NDEPHWFRSA-N 483.587 5.327 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(NC(=O)OC)c2)CC1 1830440478 BBAIJGSCHPHKJO-QHCPKHFHSA-N 469.626 5.091 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)CC2)c1 1830514573 CECLZGQIFJZAKS-CRICUBBOSA-N 483.534 5.278 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1830606014 KTUKWXQYNNRKLG-DEOSSOPVSA-N 497.998 5.297 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830653881 GISRSXKWLLVVLN-FQEVSTJZSA-N 453.385 5.169 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059931 SRVBSNYEHRROEU-XMMPIXPASA-N 476.642 5.739 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(Cl)cc3Cl)CC2)CCC1 1831307074 HNYXPINBTDDVOQ-QFIPXVFZSA-N 476.448 5.240 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1831858550 WOUPLZXYRGKJRL-VWLOTQADSA-N 456.590 5.039 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1832029792 PRKVNCOTYMMJTR-QFIPXVFZSA-N 485.625 5.054 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1832029821 RMUYKSLCQZKVPQ-MUUNZHRXSA-N 496.655 5.657 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1)c1ccc(O)cc1 1832480095 OFVGUKVNIYSYGX-IGKIAQTJSA-N 476.661 5.089 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ncoc4c3)CC2)c1 1832632369 OCUJVEWMLMBBHV-CLOONOSVSA-N 470.573 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 1832635675 OIOLEYPZNMPHRC-YADARESESA-N 495.570 5.462 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1832688798 XHWGSYTXJBITCT-DEOSSOPVSA-N 499.989 5.356 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)CC2)c(Cl)c1 1832984537 SRCMFPVEYZPDGJ-BWKNWUBXSA-N 475.967 5.191 30 20 JKED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C5CC5)cc4)CC3)CC2)c1Cl 1838535800 YFUJTDQYILYOIR-UHFFFAOYSA-N 492.019 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cccnc1SCc1ccccc1)C2 1844356781 OVHILBJTRKBPGR-UHFFFAOYSA-N 463.647 5.183 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)C1 1844625886 JUNDZPHEIVPCKP-UHFFFAOYSA-N 493.994 5.128 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)C1 1845642712 HRYCHWFLTNENAB-UHFFFAOYSA-N 492.845 5.393 30 20 JKED COc1c(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@H](C)C#N)c3)C2)cc2ccccc2c1Cl 1846828506 KYYIGOKRFXUSFY-GOSISDBHSA-N 487.987 5.260 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2)c1C 11259125 YBGGBHAYTLNXTI-UHFFFAOYSA-O 471.002 5.108 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2C)ccc1Cl 14785989 WAJWDXODFWXLEX-UHFFFAOYSA-N 458.942 5.421 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc(Br)c2)c1 15247693 ZSFAYANIKUQIJT-UHFFFAOYSA-O 466.833 5.811 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1 16031250 BQBXARONUGKMSG-UHFFFAOYSA-N 454.979 5.590 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nnc1-c1ccc(F)cc1 22162668 KOCFUMNYBNNFEK-UHFFFAOYSA-N 479.606 5.509 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1ccc(Cl)cc1 22734873 IGQDLYORYZSAQI-UHFFFAOYSA-O 450.027 5.277 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 26115109 MEQPMLGNCGNZOV-AWEZNQCLSA-N 472.401 5.279 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793672 DTGGDAPOZSQMHN-UHFFFAOYSA-O 492.665 5.753 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nc(-c2ccccc2C)cs1 32561372 WNWYIJBEPJTOTL-UHFFFAOYSA-N 472.364 5.169 30 20 JKED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 58979980 COFPBHLWSLHCPX-UHFFFAOYSA-N 468.582 5.149 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 108737584 DSIMRCQIPHWJGM-UHFFFAOYSA-N 457.066 5.772 30 20 JKED Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c1 255946218 CXTISCSNRYQRTQ-UHFFFAOYSA-N 457.599 5.487 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 303172200 RKJJASMGGURCFW-UHFFFAOYSA-N 452.470 5.627 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)c2)c1 480154806 KMPBRDAFSLMBJU-OAQYLSRUSA-N 472.520 5.159 30 20 JKED CN(Cc1ccc(Br)s1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481682005 DSBOEOIHXZNHBR-UHFFFAOYSA-N 474.355 5.764 30 20 JKED C=CCN(C(=O)c1nn(-c2ccccc2)cc1OCC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482249527 WCIQXJUPMVCVHO-UHFFFAOYSA-N 475.530 5.136 30 20 JKED C=CCn1c(Sc2ccc3nnc(-c4ccccc4)n3n2)nnc1-c1ccc(Br)cc1 487993557 BQEMQIUPAMMGDO-UHFFFAOYSA-N 490.390 5.150 30 20 JKED COCc1nc(N2CCCN(c3ccccc3C#N)CC2)c2c(-c3ccccc3)csc2n1 488046516 XHDRANHZNIOFPK-UHFFFAOYSA-N 455.587 5.093 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2c(F)cccc2F)cs1 497900773 GUPYTNPWVRXTQE-ZDUSSCGKSA-N 468.466 5.610 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nc2sc(C)c(C)c2c1=O 501126976 YRCNCMLJSUYMON-ZDUSSCGKSA-N 458.996 5.818 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc1Cl 502978888 CBDQMKRPZDKKKZ-RSXGOPAZSA-N 474.992 5.190 30 20 JKED C=CCn1c(SCC(=O)N(C)C2Cc3ccccc3C2)nnc1-c1ccc(Cl)cc1Cl 508145104 SFUHUSYGFJPDNZ-UHFFFAOYSA-N 473.429 5.156 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 510231584 XWNWUEKELJNSEI-UHFFFAOYSA-N 464.319 5.224 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cn3cc(Br)ccc3n2)cc1 510680182 JJMLGCKPUHOSOS-UHFFFAOYSA-N 462.307 5.082 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1 511392920 YPMXIIXZJOTOBG-UHFFFAOYSA-N 472.564 5.211 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cc1 512489430 PYCMXQXOZQLSSZ-YLJYHZDGSA-N 483.553 6.085 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1-c1ccc(F)cc1 513295296 FXOFWCDKOOVXLX-UHFFFAOYSA-N 456.543 5.737 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 513681403 BKYYTIYPZXMDKG-IBGZPJMESA-N 457.580 5.826 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)cc2)cc1 513682078 OGYBBRBSINJTGC-UHFFFAOYSA-N 450.454 5.718 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 513863831 MOQUFJSQUMDHNX-SANMLTNESA-N 459.521 5.489 30 20 JKED CC(C)n1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2cc(Cl)ccc2c1=O 514586685 HKNVPJUGCURDME-UHFFFAOYSA-N 464.978 5.474 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(OCCCC#N)c3)CC2)c2ccccc12 515440872 OVUIYNOQCDRZEI-UHFFFAOYSA-N 471.557 5.022 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1Cl 517163596 MDXRQMZGUMNELV-ILBGXUMGSA-N 472.976 5.473 30 20 JKED Cc1sc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c(C#N)c1C 518130476 VESFBIKDDUTNHM-UHFFFAOYSA-N 475.830 5.679 30 20 JKED N#C[C@H](NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1cccc(Cl)c1Cl 518207319 FUCNGWFJXRFGSV-IBGZPJMESA-N 495.395 5.109 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 518752255 LNDYSGATGUIFME-SFHVURJKSA-N 476.568 5.839 30 20 JKED CCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCSc2ccc(Br)cc21 518754550 RDZFRTJRDXXEQH-BEFAXECRSA-N 490.492 6.934 30 20 JKED CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519439210 BUXKLOHYSASXBQ-OAHLLOKOSA-N 479.524 5.314 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 519474438 IHNVDUUMOZEGGG-KRWDZBQOSA-N 461.509 5.202 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N 520448259 ZVNGVPBULOJXOH-MRXNPFEDSA-N 467.447 5.544 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1 521091136 HBLUNTZTSJTHRZ-UHFFFAOYSA-N 488.613 5.323 30 20 JKED CCOc1cccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 521741376 DWPORHQPAMCSFE-GOSISDBHSA-N 459.571 5.179 30 20 JKED C=CCc1cc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc(OC)c1OC 522694150 FMKKKDGUCUMCDU-LJQANCHMSA-N 451.592 5.131 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(c2ccccc2)c2nc3ccccc3s2)cc1 522714016 DKGIWRYRGJBMEQ-UHFFFAOYSA-N 461.568 5.352 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(Oc4cccc(F)c4)nc3)c2)c1 523350322 AYCHUIOEHHQQND-UHFFFAOYSA-N 481.487 5.459 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 524234486 SLMAVXJTKHWVCN-UHFFFAOYSA-N 498.490 5.344 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)s2)cc1 524327821 GHWZNSULYDRVDZ-CABCVRRESA-N 461.399 5.751 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(CC)c2cccnc2)c1 524344904 BSFZQXIQFRRUJG-UHFFFAOYSA-N 489.519 5.148 30 20 JKED CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524424206 NYXSVJBGTAIQHQ-GOSISDBHSA-N 491.975 5.394 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 577402564 TZRZPFDKBXLPDD-OAHLLOKOSA-N 487.553 5.270 30 20 JKED CC(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 588309359 GXXZVCBBYAQKQN-KKUMJFAQSA-N 464.372 6.175 30 20 JKED C=CCn1c(SC[C@@H](O)COc2cc(Cl)ccc2Cl)nnc1-c1ccccc1F 588635895 LLKSMHRVJMAFJT-AWEZNQCLSA-N 454.354 5.109 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)nn1-c1c(Cl)cccc1Cl 590995323 ZMRCTFDXQFYISZ-OAHLLOKOSA-N 450.329 5.736 30 20 JKED C=CCN(C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596339662 CVNUFGZXFANVLI-IBGZPJMESA-N 495.612 5.644 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C[C@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)cn2)c1 603622155 MITJZTJAHKEDJA-VWLOTQADSA-N 493.523 5.276 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1Cl 603765913 DAULSGAJHWSEIN-IBGZPJMESA-N 462.962 6.068 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 603967886 BZUZQKMDMBTGSE-NRFANRHFSA-N 465.578 5.931 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604027286 ULANUPHFVQLIHV-UHFFFAOYSA-N 490.972 6.548 30 20 JKED CCc1cc(C#N)c(NC(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)s1 604029316 OSCQKIAIJIZIBS-UHFFFAOYSA-N 477.405 5.846 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)c2)cc1 604084779 JPFORKKJAOMIAX-QHCPKHFHSA-N 453.464 6.147 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(C(=O)c4ccccc4)CC3)cc2Cl)cc1 604088459 ZQJZJILFXKXCCZ-UHFFFAOYSA-N 474.948 5.430 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(F)cc(Br)cc2[nH]1 604101963 DUKHTPHAVQGGHJ-UHFFFAOYSA-N 465.282 5.689 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cc3c(s2)CCCC3)cc1Cl 604146267 VFUSHQADDFTDBS-OAQYLSRUSA-N 463.990 5.191 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604561817 GZWXZBQYSMWKNF-NRFANRHFSA-N 493.361 5.886 30 20 JKED Cn1c([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2ccccc2)nc2ccccc21 608793559 FWTFUYFHXOSWAK-SANMLTNESA-N 474.524 5.543 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1cccc(Cl)c1 609084459 IEJLCIGQVAQMQB-HSZRJFAPSA-N 461.949 5.305 30 20 JKED CN(C(=O)c1ccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1Cl)C1CCCCC1 609097601 BPFINQCQSGACIY-XMMPIXPASA-N 464.997 5.224 30 20 JKED CCn1c(SCC(=O)N(CCC#N)CC(C)(C)C)nnc1-c1ccc(Cl)cc1Cl 609191415 MADNDJNIPMIIJK-UHFFFAOYSA-N 454.427 5.152 30 20 JKED N#Cc1cccc(OC2CCN([C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)CC2)c1 609195109 SKELPDWVCZCFRC-VWLOTQADSA-N 490.947 5.343 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609436221 JUWFVKJXDOWCTD-UHFFFAOYSA-N 473.448 5.697 30 20 JKED O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 612805778 QBDXPWDCLHFYPZ-LAQFHYBYSA-N 498.443 5.031 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccccc2)cs1 613392685 YGYIGCXWXVBCNZ-QHCPKHFHSA-N 477.545 5.139 30 20 JKED CCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619930425 MEFBASZROGWJLB-PHIMTYICSA-N 452.317 5.699 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccc(Cl)cc1 642019093 MAZUYMXFYRQYQS-INIZCTEOSA-N 466.994 5.842 30 20 JKED C=CCN(C(=O)c1ccc(OC2CCCC2)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 642129359 DJNMDMOMCRDEBF-UHFFFAOYSA-N 482.627 5.368 30 20 JKED Cc1nc(COc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)no1 642282131 NTKBOUDBFWUKTK-HNNXBMFYSA-N 458.421 5.076 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)c1cccc(NC(=O)c2ccccc2)c1 642974327 WALSZPCCEANHNM-FQEVSTJZSA-N 493.588 5.216 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1 727590563 LXQWTRYMPCDQTJ-FPCFPJRVSA-N 482.650 5.081 30 20 JKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccc(Cl)c(Cl)c1O 727648897 VXNRBZVBDWROAY-UHFFFAOYSA-N 463.365 5.060 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2C(F)(F)F)C[C@H](C)O1 728011967 PEMHRYJNXUREBD-IRXDYDNUSA-N 499.489 5.615 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3cscn3)C2=O)cc1 728421435 VCWCTHJGNYQXEV-QHCPKHFHSA-N 497.605 5.328 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)cc1 728776761 FFJYXGLBXADJNR-FQEVSTJZSA-N 454.983 5.303 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3scnc3C)C2=O)c1 729145419 KXDGHNVCJCBLRW-HXUWFJFHSA-N 499.061 5.882 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 729187244 WXCPINIYNUBDSW-HKUYNNGSSA-N 488.421 5.508 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ncccc3C)C2=O)cc1 729631980 WFPCWCBLCBHUBI-QHCPKHFHSA-N 492.576 5.088 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1C 730460042 SPACUXWGWVPSNU-HXUWFJFHSA-N 475.536 5.835 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CCC2)c1 730460730 DCUSZTVGOHOEHB-XMMPIXPASA-N 486.597 5.311 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 730667295 SRELHZLZEKVVIB-UHFFFAOYSA-N 450.539 5.214 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730942169 HDXRJILBBQEHCB-MBSDFSHPSA-N 474.586 5.120 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943960 OHGLZXUAMGZWHL-KSFYIVLOSA-N 495.004 5.465 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 730996702 YSHJFKWCRIUPJO-JPOGYNCRSA-N 472.599 5.290 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1 731007114 INKJBCUFKOAVBW-UHFFFAOYSA-N 491.016 5.795 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1N(C)c1ccccc1 731072333 DWKLLUAHDODPGS-IBGZPJMESA-N 459.571 5.644 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731307924 WEBVKNBDOJCRNV-VFNWGFHPSA-N 483.977 5.230 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccc(F)c1)c1cccs1 731311284 AUIOIFAIQVZNPF-DYLGUULKSA-N 483.590 5.183 30 20 JKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(N(C)C)cc2)CC3)n(CCC#N)n1 748638927 VQSKEQNTPLXMPK-DYTRJAOYSA-N 476.584 5.459 30 20 JKED N#Cc1ccc(CC(=O)OCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cc1 750243371 XJGBXCQVDWLVMD-UHFFFAOYSA-N 485.540 5.140 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cscn2)C1=O)Nc1ccccc1 750909744 IHZLJIKVZNNDFH-DEOSSOPVSA-N 498.633 5.971 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1ccc(F)c(Cl)c1 837302039 PTJYRUSLCRNBHH-HNNXBMFYSA-N 477.842 5.141 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CCc2cccs2)C1=O 837381504 LGTNCRBYLJZRLR-JOCHJYFZSA-N 479.627 5.268 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O 837741414 XHTKSCKVHNHQMZ-FQEVSTJZSA-N 469.563 5.056 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccs3)C2=O)cc1 837835504 SHBCGIFMCWTNIY-QFIPXVFZSA-N 477.611 5.420 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1F 838234412 CGHLVYOFFJFSLM-FQEVSTJZSA-N 471.554 5.495 30 20 JKED N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)c1 856556989 ZHCZBDJQKVGLPP-GOSISDBHSA-N 462.937 5.560 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 914541497 VDKRVTRFEGAERI-IBGZPJMESA-N 471.554 5.495 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccc(F)c1 914772968 SBEOQYVUMRJUMD-JOCHJYFZSA-N 481.524 5.134 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)[C@H](C#N)c4nc(C)cs4)o3)c3ccccc3n2)cc1 914870328 PFGVQTZWVTXFPI-FQEVSTJZSA-N 497.605 5.994 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cc1 915088131 ZQFVDHSJKLNZSR-FQEVSTJZSA-N 454.555 5.112 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 916210322 BAQUDDAQCUREJF-KRWDZBQOSA-N 453.461 5.215 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3Cl)N(C3CC3)C2=O)cc1OC 916213817 ICTXTKDFGNSJNY-LJQANCHMSA-N 494.400 5.133 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 916215779 KESYKQZULADQIP-FQEVSTJZSA-N 493.551 5.401 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916884422 XBXDTMFVESJHHH-CQSZACIVSA-N 469.494 5.832 30 20 JKED Cc1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(Br)c1 916906281 RTEGHFQRFLINSM-FBRRREGBSA-N 475.342 5.911 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)n1 916928562 NVCHURZZHXBILC-INIZCTEOSA-N 476.410 6.012 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1Cl 916940255 WLOQZZXVRSZSPA-QGZVFWFLSA-N 464.934 5.019 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 916954618 JLSOZGWVHJMUNL-KXBFYZLASA-N 463.559 5.302 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)CCOc4ccccc4)CC3)n2)cc1 917427779 LEPBUGZJQVIHQB-HSZRJFAPSA-N 473.598 5.003 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(N2CCCCC2)n(-c2ccccc2OC)c1=S 917458070 RGROIPXEYHYNAV-UHFFFAOYSA-N 476.650 5.144 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(OCc4nccn4C)cc3)c2)cc1 917518275 YDUPFLSCTHIPNV-GIDUJCDVSA-N 467.525 5.156 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cs1 917562282 YUOVTMURUSIXGD-RUDMXATFSA-N 486.207 7.337 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(Br)c2)cc1 917612602 AAETVEKELBMGDA-UHFFFAOYSA-O 479.423 5.884 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cccc(C)n3)C2=O)c1 917687748 UYJWDYWIPKZHEI-DEOSSOPVSA-N 490.604 5.615 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N(Cc2cccc(NC(C)=O)c2)C1=O 917697729 LIEZKJWQPYHKLP-QHCPKHFHSA-N 494.661 5.160 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccc(F)cc1 917703840 PJIIRHYEXAPVQE-QHCPKHFHSA-N 490.535 5.039 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 917804906 QBKXLHTYKOUSOB-UHFFFAOYSA-N 471.557 5.609 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918310732 SYLGBUFCGXCRKX-HSZRJFAPSA-N 451.526 5.248 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccc(-n2cccn2)nc1 918556533 VMPXZYKWRFXDEH-QFIPXVFZSA-N 484.541 5.102 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1C 919195010 LGCXOCWLEQCFCP-UHFFFAOYSA-N 487.604 5.093 30 20 JKED Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 920029671 HXGXNFKZGNEJNX-UHFFFAOYSA-N 479.574 5.523 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c1 920083411 MWYNBSDJXYFCKN-YYADALCUSA-N 491.038 5.242 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 920330583 HVDXSVKMONBKRB-UHFFFAOYSA-N 484.468 5.203 30 20 JKED N#C[C@@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2c(F)cccc2F)cs1 920804084 KSYGXZWCNSWDFA-VOJFVSQTSA-N 475.929 5.421 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c3ccccc3n3ccsc13)C2 1779272658 MUOFVRIBSMWFRD-OWDCXRFMSA-N 491.657 5.050 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1781737700 IOPSHROUFIDZQT-ABVYXTAOSA-N 487.084 5.340 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3Oc3cccc4ccccc34)CCO2)C1 1783113886 JSJAMDIEWWMBEN-YKGWIAGDSA-N 484.596 5.288 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785806861 MCAKENQHYGMIAR-QFIPXVFZSA-N 469.626 5.170 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/C4CC4)cc3)CCC2)ccc1Br 1786160722 IASDGKYWIVWQRB-NYYWCZLTSA-N 464.363 5.035 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](C#CC)c3ccc(O)cc3)CCC2)cc1 1786369890 ARLIGBOLTIVUAD-QHCPKHFHSA-N 474.601 5.006 30 20 JKED CO[C@](C)(C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1cccc2ccccc12 1787885326 OWCMEMYXAYQDQY-MHZLTWQESA-N 455.558 5.139 30 20 JKED Cc1c(Cl)ccc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)c1Cl 1788031807 XZUBDKZQIYEFJK-UHFFFAOYSA-N 487.431 5.331 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c[nH]nc45)cc3)CCC2)cc1C#N 1788454392 LSRKJCKXSNUMJC-UHFFFAOYSA-N 493.567 5.283 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)CCC1)c1ccc(O)cc1 1789279132 GVEYZNQSFNCFFW-OAQYLSRUSA-N 492.579 5.213 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1789451584 MHGGJRODCTXMKL-PKTZIBPZSA-N 481.637 5.192 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3(C)CCC3)CCC2)cc1 1790472926 ZQEYIOVWMKUFAK-JOCHJYFZSA-N 481.637 5.008 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1790564502 DMWPVNABYTWFNQ-HNNXBMFYSA-N 485.009 5.498 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790763693 HUKRNCKMZPXISZ-UHFFFAOYSA-N 483.499 5.519 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791244396 RFHNBSGBEDMGAT-BCHFMIIMSA-N 469.626 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc2)CCC1 1791500224 GTZQHBOSTOUGII-GOSISDBHSA-N 457.615 5.026 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3cnc(C)s3)CCC2)cc1)c1ccc(O)cc1 1791645488 HFOQQGQJYQUWCQ-OAQYLSRUSA-N 487.625 5.031 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)CCC2)cc1 1791730403 GVRRSWVPBGFOEE-UHFFFAOYSA-N 482.506 5.294 30 20 JKED Cc1ccncc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792122476 AXCHMVICCPMFJU-NRFANRHFSA-N 466.585 5.398 30 20 JKED CC(=O)Nc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)ccc1C 1792127279 UYDCKSFOBRUZPL-HXUWFJFHSA-N 494.595 5.642 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)c1 1796475503 VLKKWFWJDBLXQF-KOUNCHBCSA-N 484.987 5.148 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1 1800406534 FPWLQHJTCMVRKK-BTTYYORXSA-N 492.391 5.330 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2ccccc2)C3)c1 1800764985 QQHCIPCJIIYEER-BKFWDETESA-N 465.553 5.225 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(ccc5ncccc54)s2)C3)c1 1803681341 OJIMNIFUDSCIFI-MVWVFHAYSA-N 494.620 5.642 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4Cl)CC3)C2)cn1 1804710458 AAHIOUKTYGHPED-UHFFFAOYSA-N 479.024 5.063 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1805366007 YCIJRJNFKBUIBL-IGKIAQTJSA-N 484.600 5.133 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C2)CC1 1805635876 XATSNIPOKDUWKC-OFNKIYASSA-N 476.061 5.112 30 20 JKED Cc1cnc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)C2)s1 1807913848 NJZOTQLGSLYIGE-UHFFFAOYSA-N 483.637 5.010 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1Cl 1808978705 SERRKGRHLOCWJA-CUNXSJBXSA-N 494.982 5.393 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1809188608 GAHABVHDGNXBQT-YADARESESA-N 479.024 5.528 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1809196386 OUQMKMUVQGQUKM-DZRGJMJISA-N 477.008 5.304 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)CSc3ccccc3)C2)CC1)c1ccccc1 1809288730 KOEDHWKHIZKWBV-SANMLTNESA-N 474.670 5.207 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)CCc3ccsc3)C2)CC1)c1ccccc1 1810037062 VAIBCZQMJOGJQL-VWLOTQADSA-N 462.659 5.109 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccccc3C)C2)CC1 1810355902 RSHSRSNBJWVMSK-UHFFFAOYSA-N 467.560 5.113 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811852772 APZGVQOBBLBYIX-UNMCSNQZSA-N 473.539 5.412 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)cc1 1811897828 XWVCFISLXJGYDK-URLMMPGGSA-N 486.575 5.254 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)n[nH]2)c(Cl)c1 1814721237 XJOVBOSXLDIOGQ-SXWKCWPCSA-N 491.954 5.183 30 20 JKED Cc1csc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1815898070 ZGLJEADNHHKXMV-JPYJTQIMSA-N 475.618 5.345 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1 1818117947 HSKBEFBSTFPNBP-IWGBCORSSA-N 474.586 5.094 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(F)CCCCC2(F)F)n[nH]1 1818884651 BNVFRYRQFHZHEL-GCJKJVERSA-N 452.521 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3c(Cl)cccn23)[nH]n1 1819554065 CCKYIJRECCSCSS-SFHVURJKSA-N 468.989 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(F)(F)F)ccn2)n[nH]1 1819859677 FABQFXYSGVPIPQ-GOSISDBHSA-N 463.504 5.122 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)cc1 1820548984 LRVGACFFPGLZMS-INIZCTEOSA-N 474.373 5.269 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1820966240 FMJMQTZNYFGHSQ-LXBDKUERSA-N 488.032 5.296 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)cc1 1821119340 RRYROXVOUITJJG-NRFANRHFSA-N 479.943 5.013 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)n[nH]2)C1 1821125962 BQKKCFBNJPFSGG-GOSISDBHSA-N 466.891 5.354 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)[nH]n2)cc1 1821180118 VHKICQCDRHGJTJ-OAQYLSRUSA-N 499.468 5.253 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821202010 MNGHEAVIKVQSGQ-CRAIPNDOSA-N 473.401 5.116 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3cc[nH]n3)cc2)n[nH]1 1821228144 OEAAXOBGAWLJJC-JOCHJYFZSA-N 460.582 5.098 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c(Cl)c1 1821277145 IMKTZNADUPUICW-IBGZPJMESA-N 486.334 5.347 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(Br)ccc2Cl)n[nH]1 1821871123 MSJOTQKQOZCLTG-AUUYWEPGSA-N 493.833 5.273 30 20 JKED Cc1cc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)[nH]c2cc1C 1823215062 MDNJXDFPDCPDRZ-HOYKHHGWSA-N 495.587 5.150 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)n3)[nH]n2)c1 1823217023 GAOFOSJIUMLZAL-YWZLYKJASA-N 496.493 5.070 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)n1 1823682123 SMWGNRNIZVPXNZ-XMMPIXPASA-N 478.662 5.004 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1824540426 IFEYQSPEMJTBKA-NVXWUHKLSA-N 463.496 5.243 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC(F)(F)F)CC2)c1 1824875354 LKNWGFXJPOHGJD-PGRDOPGGSA-N 463.544 5.280 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)cc2n1 1827278943 OETQOKXDTJOMSP-XMMPIXPASA-N 493.724 5.421 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827331792 GQHIAKPCQQZIHL-BKMJKUGQSA-N 490.648 5.091 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827344281 PCHHCTQCQMUCSS-DEOSSOPVSA-N 482.024 5.422 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1828219010 CDRVHMGWVSBRAO-RUZDIDTESA-N 485.584 5.060 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830055282 SEDBSGLDWQQBSF-DFBJGRDBSA-N 497.561 5.880 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1830417123 RPGLOUNBIJTNCG-VGSWGCGISA-N 474.001 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830476193 HVBACLWLPQMZOH-WZONZLPQSA-N 464.984 5.620 30 20 JKED COC1(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CCC1 1830604857 RKLWSBNLXHSSFL-LJAQVGFWSA-N 498.667 5.279 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)cc1 1830631975 UKJNOIYTCAUIDN-QHCPKHFHSA-N 488.613 5.016 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3cn2)CC1 1830819542 MSFKLPYAZNNSTF-XMMPIXPASA-N 479.697 5.112 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1)C(F)(F)F 1831450258 KKALQARSXOXEMS-QFIPXVFZSA-N 477.502 5.173 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1)C(F)(F)F 1831452189 YTLUEPAVJXUFAY-FQEVSTJZSA-N 475.511 5.002 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1831566180 ANEIIFWUAAIYBK-QIGHUWCUSA-N 479.665 5.019 30 20 JKED Cc1nc2ccncc2cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832631261 BMQAIMVCWABBRR-NGOKVRLYSA-N 495.627 5.112 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1 1832632465 RPJPRDRCFWAGNU-VGOFRKELSA-N 486.538 5.208 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(c3)CCCC4=O)CC2)c1 1832632570 TXYKPOBKHVYRHO-RBTNQOKQSA-N 497.639 5.380 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)c1 1832632685 BAOVIPIXDRTQSH-KOSHJBKYSA-N 474.630 5.404 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc(F)c1F 1832635854 WCQXGRIXMGXVKB-CJAUYULYSA-N 479.571 5.447 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832683123 FPQPUVHIYTXHFU-ZTOMLWHTSA-N 499.655 5.650 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707848 MWHMMSSVOKYKLZ-LJQANCHMSA-N 476.461 5.289 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1)c1ccccc1 1838417410 BJQPNCWHOLAABE-YEQSYCJSSA-N 490.688 5.009 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)CC1 1838743427 WZPGDBPKNWSBBR-HHHXNRCGSA-N 487.084 5.272 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)C1 1842583375 AMBCGEBEQQVXGB-QHCPKHFHSA-N 497.680 5.147 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(CC(C)C)oc2ccc(OC)cc12 1847531577 VNPZNALEVYHGLX-GOTSBHOMSA-N 464.606 5.224 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CCCCC3 9194757 KORCYBXYTOTTGR-UHFFFAOYSA-N 453.633 5.261 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)Nc1ccccc1C#N 10144244 PKEBCJDVCRNULF-OAHLLOKOSA-N 463.950 5.231 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2sc(-c3ccccc3)cc2c1=O 10813352 FGYDNMPUVONUNK-MRXNPFEDSA-N 472.595 5.302 30 20 JKED COc1cccc(NCc2nnc(SCc3ccc(C#N)cc3F)n2C2CCCCC2)c1 11539660 QTXYTLOJMLBZDC-UHFFFAOYSA-N 451.571 5.707 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccoc1C 15278165 GMSJCSLCKRJNGF-LBPRGKRZSA-N 470.904 5.824 30 20 JKED CC(C)CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 16976760 FSVWVOKKUCRTJU-KRWDZBQOSA-N 484.025 5.548 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2sc(-c3ccccc3)cc2c1=O 20047659 XJWDTTDUUNCQOT-INIZCTEOSA-N 472.595 6.214 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccccc1OC 21120559 JFPHXXYMXAJANZ-UHFFFAOYSA-N 481.578 5.133 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1ccccc1F 22696068 LFYJANIBJFYWRG-UHFFFAOYSA-O 458.376 5.489 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1[C@@H]1COc2ccccc2O1 23517644 FJBAANVJQZXDNM-YWZLYKJASA-N 470.982 5.058 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)c1C#N 27726898 IAYNBBKKBCIMNW-UHFFFAOYSA-N 490.036 5.175 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)nc2cc3ccccc3cc2c1=O 29450587 FLPODLNECWLWOD-UHFFFAOYSA-N 470.598 5.225 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(/C(O)=N/c3nnc(C(F)(F)F)s3)cc12 31564596 JYTPBWFUHGCZFR-UHFFFAOYSA-N 457.890 5.615 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)nnc1-c1cccc(C)c1 32857153 OKBUSXPUQRHBKM-HXUWFJFHSA-N 489.626 5.564 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1C1CC1 36189320 DVCILAYUZJROKJ-FQEVSTJZSA-N 454.983 5.476 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)c2cnn(C(C)C)c2)cc1OC 72047916 RAYZTSNDBGLBKN-ZRDIBKRKSA-N 456.546 5.289 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3c(-n4cccc4)sc4c3CCSC4)s2)cc1 105147175 IWMPGWHBOQEFJC-UHFFFAOYSA-N 495.680 5.596 30 20 JKED Cc1c([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cnn1-c1ccc(F)cc1 105905703 PTKGYRLNRMJWQO-KRWDZBQOSA-N 456.546 5.834 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)c3ccccc3n2)cc1 109540771 IAHOFBSXHRJWLP-UHFFFAOYSA-N 487.519 5.063 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cs2)cc1 303231380 XXDWBXUTIZKPTO-UHFFFAOYSA-N 469.566 5.841 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1)c1ccc(C#N)cc1 480990011 XRDIFWWDGIHMNA-ZDUSSCGKSA-N 472.303 5.612 30 20 JKED CC(C)(CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 487786944 CODHHQRCFKZDEW-UHFFFAOYSA-N 461.562 5.136 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 494053892 GLEFUMZAZYWRSU-UHFFFAOYSA-N 460.020 5.512 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCN3CCC(C(=O)c4ccc(Cl)cc4)CC3)c2C#N)C1 497484985 GIHCMXWNCOKUMA-INIZCTEOSA-N 470.038 5.321 30 20 JKED Cc1nc2ccccc2c2c(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c3ccccc3n12 498277392 RTUCZYCCXXIPAR-UHFFFAOYSA-N 482.565 5.279 30 20 JKED Cc1sc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)c(C#N)c1C 501024705 QIPLGCGCOPBKIS-UHFFFAOYSA-N 481.553 5.493 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(NC(=O)c4cccnc4)cc3)cc2)cc1 501157248 BEMRVNBTIFGXPT-UHFFFAOYSA-N 463.497 5.320 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1coc(-c2cccc(F)c2)n1 501582404 IBFDOHWMJHBGIK-UHFFFAOYSA-N 456.930 5.783 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)CC2)c1 501743350 CNQLJTZHVCEKFV-VWLOTQADSA-N 473.960 5.209 30 20 JKED Cc1ccc(-c2nc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)sc2C)s1 504845445 ILOIJVVBPNHQAD-UHFFFAOYSA-N 479.587 5.463 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)cc1 507902519 AKUPCNDVZQGFDY-UHFFFAOYSA-N 475.551 5.465 30 20 JKED N#Cc1ccc(OC[C@H](O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 508369872 HQEHLWPLGZDXSX-IBGZPJMESA-N 465.625 5.387 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 510953522 SZSRYYBEBPCGTE-UHFFFAOYSA-N 481.021 5.908 30 20 JKED N#C[C@H](C(=O)c1ccc(I)c(F)c1)c1nc2cc(Cl)ccc2s1 511702468 WKAYJYULYVHATE-SNVBAGLBSA-N 456.667 5.183 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)c1ccc(C(F)(F)F)cn1 513206386 KNFCXZYMFNRJOG-QGZVFWFLSA-N 489.379 5.586 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccccc1F 514357883 FBLXTJGQGUSFBV-SFHVURJKSA-N 490.604 5.571 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c1 515617318 VHVVVFNFRMTJBS-UHFFFAOYSA-N 452.308 5.571 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 515649595 RQLBLDWPZMQDTJ-GOTSBHOMSA-N 450.460 6.093 30 20 JKED C=CCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)c1nc2c(s1)CCCC2 516073011 JBKAGZCXFSZGJB-UHFFFAOYSA-N 451.640 5.786 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 516384293 YNSLRWOJECWONN-UHFFFAOYSA-N 450.567 5.656 30 20 JKED C=CCN(C(=O)c1cc2cc(Br)ccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516462024 KIGVZKCDQHSCEQ-UHFFFAOYSA-N 484.331 6.060 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1nc2ccccc2o1 516714097 PKLYTVGBJIBHTO-GOSISDBHSA-N 460.287 5.333 30 20 JKED CC(C)Oc1ccc(NS(=O)(=O)CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 517820033 ASDNRVFTUUQPSY-HSZRJFAPSA-N 498.004 5.163 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 518667706 JMTWQXIUKAWBFR-GOSISDBHSA-N 494.580 5.639 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCOc3ccccc32)c1 519470591 PCLNDCWNXPWGPZ-FQEVSTJZSA-N 497.016 5.017 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 520928192 MAGJCKRWNIIVCN-INIZCTEOSA-N 469.563 5.273 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 521734628 SCDUSIQHISGCKA-UHFFFAOYSA-N 497.564 5.138 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccncc4)c3)cc2)c1 521808120 DMQWQQQMYUXSAY-UHFFFAOYSA-N 463.497 5.320 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc(COc5ccc(C#N)cc5)o4)CC3)c2c1 524133507 RALJKGWIXFWJIK-UHFFFAOYSA-N 453.498 5.150 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3c4ccccc4CC[C@@H]3C(=O)Nc3ccccc3)o2)cc1 524392389 GGOMMDBSDZHOTJ-AREMUKBSSA-N 477.520 5.331 30 20 JKED C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(-c5ccccc5C#N)cc4)CC3)cc2NC1=O 556065523 PJTRNUBTOFABGR-IBGZPJMESA-N 465.553 5.040 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1 588349083 UAMHCLHEWUSURL-INIZCTEOSA-N 456.508 5.024 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)nn1-c1c(Cl)cccc1Cl 590995317 ZMRCTFDXQFYISZ-HNNXBMFYSA-N 450.329 5.736 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459378 UQDZKQYZBCRMHB-UHFFFAOYSA-N 473.510 6.014 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 603946455 IAMLTYLPVQSECN-UHFFFAOYSA-N 462.531 5.695 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 603977004 RHKPPEYMRUALJB-PMACEKPBSA-N 483.637 6.388 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)c4cccc(F)c4)c3)cn2)cc1 604086902 QFYYGSJJAIHNHL-UHFFFAOYSA-N 481.487 5.459 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCc1c(C)noc1C 608876746 TUYBEWNFMMDJIG-UHFFFAOYSA-N 454.486 5.490 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)o2)cc1 609054344 DEPZUXZGIKEXEH-LJQANCHMSA-N 459.527 5.166 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(C(=O)NC4CC4)c3)cc2Cl)c1 609079871 KKMMPHBDFVJGFH-UHFFFAOYSA-N 474.948 5.005 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2F)c1 609123697 CWAJTTDDMFZKOZ-HOTGVXAUSA-N 489.391 5.871 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 609207226 WGXFZXSZEFFUEL-UHFFFAOYSA-N 478.556 5.856 30 20 JKED CCCCc1c(C)nc2nc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)nn2c1C 609371280 FZPRXNBOFQMTAX-HNNXBMFYSA-N 468.652 5.066 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 609399362 PXYSRSWZJGPKCD-HNNXBMFYSA-N 454.983 6.144 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 609435411 NNZGJINECDTDJG-KSSFIOAISA-N 476.465 6.544 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3csc(C)n3)n2)cc1 613318039 IKWMCVVJWJPIHQ-HXUWFJFHSA-N 461.637 6.666 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1-c1ccc(F)cc1 613346132 DXWGRHZVZSMIAQ-MRXNPFEDSA-N 472.332 5.635 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nc2sc(C)c(C)c2c1=O 613899878 ABRZTOYBCVJHHL-HNNXBMFYSA-N 467.616 5.319 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 616776356 GYXNDCIEVHAQIP-UHFFFAOYSA-N 472.307 5.340 30 20 JKED O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618303597 NSLDIFAXOXNNBV-DTORHVGOSA-N 483.783 6.776 30 20 JKED COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 626609209 FFJBOMUFKSXMFG-UHFFFAOYSA-N 493.588 5.473 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2cccc(NC(C)=O)c2)ccc1Cl 725917840 BMXSXJWYZHGCRT-UHFFFAOYSA-N 498.988 5.037 30 20 JKED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CCCC2)C1=O)Nc1cccc2ccccc12 726115045 ULKJCUQQQQIPAR-ROBQPBDMSA-N 472.614 5.049 30 20 JKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)ccc1-c1ccccc1Br 726319169 ALWGXRCMNBILDH-AWEZNQCLSA-N 456.727 5.069 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)cc1F 726414970 DMYJNCIRQMCZLJ-NRFANRHFSA-N 498.967 5.043 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc1OC 726517862 DWEJNCMCQLLOOT-OMCISZLKSA-N 479.554 5.108 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3ccc(OC[C@@H]4CCCO4)cc3)SC2=S)cc1Cl 726626563 IGXQWOIOKZKKOM-HGMDMCOWSA-N 456.976 5.175 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Br)OCO4)SC2=S)cc1Cl 726627255 PNFYNNVGBMSYMN-XRVIQIRUSA-N 479.764 5.109 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2sccc2C)cn1 726891773 QCKIHHXJOONHER-HXUWFJFHSA-N 494.642 5.237 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 728119808 SIWORWDCOXJNET-UHFFFAOYSA-N 467.525 5.979 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H](Nc3ccccc3)C2)ccc1Cl 728216877 GADIPABORFZPDH-QFIPXVFZSA-N 496.032 5.048 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(CCCCC#N)C2=O)cc1 728777115 IQZRDDZXQIXAGP-QFIPXVFZSA-N 497.020 5.505 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1 728778605 DKQCREDPYPBUEH-QFIPXVFZSA-N 483.037 5.865 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2scnc2C)c1 729144611 VWZWDICIDOKLPA-FQEVSTJZSA-N 499.061 5.882 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(NC(C)=O)c1 729634970 YBLYVUUEESDURR-QFIPXVFZSA-N 484.597 5.181 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1F 730463056 RLPLPWUIQOMKTF-IBGZPJMESA-N 495.498 5.366 30 20 JKED CCCCn1nc(C)c(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c1Cl 730584819 DBPPXFWILMXYTD-UHFFFAOYSA-N 473.817 5.293 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cocn3)C2=O)cc1 730728223 ZOGWLWSWMUNNFI-QHCPKHFHSA-N 490.585 5.161 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731305075 GKPQMHXDAPPHBS-NRFANRHFSA-N 465.962 5.206 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c1 731312758 OTPYLAOIDWKYMN-KOSHJBKYSA-N 488.613 5.632 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 731333055 WKGAFBWJQXJOPN-AWEZNQCLSA-N 471.494 5.017 30 20 JKED N#Cc1ccc(CNC(=O)COC(=O)c2oc3ccccc3c2CSc2cccs2)cc1 746590968 OFRODPSENKYKAE-UHFFFAOYSA-N 462.552 5.131 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)c4cnc(C)s4)c3C#N)C(C)(C)C2)o1 748882049 CLHVHAQPKAFCHH-SOFGYWHQSA-N 493.610 5.860 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@@H](COCC(C)C)c2ccco2)C1=O 750916672 OEOWFIBMALWQJM-HKUYNNGSSA-N 498.432 5.068 30 20 JKED CON=Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 770261411 ACTNCMSROMBQNT-UHFFFAOYSA-N 450.105 5.076 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCN(C3CC3)CC2)cc1 837917613 UZEVTBSFFKDVOL-RUZDIDTESA-N 490.673 5.145 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC)cc3)N(Cc3cccs3)C2=O)cc1 838080534 RGVHRIUBUYMSJI-JOCHJYFZSA-N 495.626 5.316 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N([C@@H](C)c2ccccn2)C1=O 838232053 KEDLHLNWCRGENF-SBUREZEXSA-N 492.576 5.259 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 838235780 SVXZZPBVRFKBQZ-FDDCHVKYSA-N 476.577 5.559 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)c3ccccn3)C2=O)cc1 838538117 HHIADHMLMIUGLK-OPAMFIHVSA-N 480.540 5.390 30 20 JKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 914955655 BCBARFHETLBZJJ-ROUUACIJSA-N 490.560 5.107 30 20 JKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc(OC)c1OCc1ccccc1 915087538 VROYYCLEOFRQCM-SANMLTNESA-N 478.548 6.191 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1nc2ccccc2s1 915098755 CAAABAADECBHLK-AWEZNQCLSA-N 464.900 5.456 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)n2)cc1 915099921 GSIIBUSGEYZGSP-AGUXYKHFSA-N 455.583 5.247 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(OC)c(F)c3)C2=O)c1 915116939 SYTWPPCOEQMFRP-QHCPKHFHSA-N 493.560 5.003 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-n3cccn3)c2)c1 915868394 SKUUYFWABCNJTK-UHFFFAOYSA-N 492.988 5.159 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)c1ccc(N2CCOCC2)c(F)c1 916128470 FOQOLORBYKAZKG-CSKARUKUSA-N 453.945 5.073 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccccc2)C1=O 916212197 KZZLKVHFJYJYEU-QHCPKHFHSA-N 459.571 5.164 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccco3)C2=O)c1 916216079 OOTLXHXHVZHPMG-QFIPXVFZSA-N 463.559 5.066 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 916283821 VDZYPOYQBOWRJJ-UHFFFAOYSA-N 459.962 5.463 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@@H]1c1ccc(OC)cc1 916846295 PCCKITMXFHCGNI-ROKPMTFOSA-N 461.587 5.261 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OCC)c1OCC 916928134 UYLHHJDRKDBXFA-HNNXBMFYSA-N 465.333 5.151 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 917044350 SSXIFEIWLSBXAA-MRXNPFEDSA-N 488.325 5.960 30 20 JKED N#C[C@H](C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)c1nc2cc(Cl)ccc2s1 917047466 XZTNZIGXKNDNFL-MIQLPHMESA-N 488.985 5.539 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(C)c(SCC#N)s3)c2)c1 917202869 WYHGHLJPHOYTGO-UHFFFAOYSA-N 493.035 5.082 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3ccc(Br)cc3C2=O)cs1 917560701 WJKBBNCSPSZAEX-JYRVWZFOSA-N 473.323 5.388 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc2ccccc2c1 917701575 USRIRYJRNCHXOV-OAQYLSRUSA-N 483.515 6.005 30 20 JKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)c1 918636530 MVUBCCLPLZWMJF-LVZFUZTISA-N 477.589 5.475 30 20 JKED COc1cc(/C=C(\C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c2ccccc2)ccc1O 919168698 IJDXBDLWEYDVES-HAHDFKILSA-N 465.509 5.051 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)c1C 919298230 YEOHDMUGCOUYIS-UHFFFAOYSA-N 473.278 5.733 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)c(OC)c1 920108531 FYZCFDIDGYCBAS-DEOSSOPVSA-N 481.552 5.441 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 920144172 YLVJOGGJLANYSK-IBGZPJMESA-N 463.946 5.936 30 20 JKED COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 920457021 LLPFMUONRIFDOY-JOCHJYFZSA-N 471.557 5.596 30 20 JKED O=S(=O)(Nc1ccccc1Cl)c1cc(N=Cc2ccccc2O)ccc1N1CCCCC1 920944300 APISWXGVINUYTB-UHFFFAOYSA-N 469.994 5.587 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(F)cc(Cl)cc2Cl)C1 1781036360 XGFLGSYBJCYCSG-HYBUGGRVSA-N 483.411 5.028 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1 1785800426 DDEOSQMXBYLAOR-FDMDGMSGSA-N 458.530 5.057 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccc(Br)c5[nH]4)CCC3)cc2)C1 1785807977 ZROWUZBMVROIOS-UHFFFAOYSA-N 478.390 5.644 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccccc34)CCC2)cc1 1786366593 OAFVDIYFMOPWLG-UHFFFAOYSA-N 459.590 5.217 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc2)CCC1 1786560908 JFQHYQVDXXLNLF-OAQYLSRUSA-N 469.626 5.192 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3nc(Cl)ccc3F)cc2)CCC1 1786987856 LLYZSGWUFANJKW-PKNBQFBNSA-N 483.952 5.122 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4OCC4CC4)cc3)CCC2)c1 1787141581 ZPLYAHSLJUZMLG-FQEVSTJZSA-N 494.595 5.559 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5ncccc5c4)cc3)CCC2)cc1 1788906833 RQYJEBQXXGGUHO-UHFFFAOYSA-N 460.537 5.097 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccccc45)cc3)CCC2)c(Cl)c1 1789282332 LNRJILRIMGVINY-UHFFFAOYSA-N 469.932 5.149 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Sc3cccs3)cc2)CCC1 1789416916 XZDYMCUZNFMBKB-DLBZAZTESA-N 459.637 5.164 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc5ncccc45)CCC3)cc2)c1 1790072954 ODZGODWKZDCNIP-UHFFFAOYSA-N 490.563 5.105 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4ccc(F)cc4)cc3)CCC2)CCC1 1790152103 IJQVDJYUMFCAKX-UHFFFAOYSA-N 468.532 5.329 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cnccc4C(F)(F)F)CCC3)cc2)c1 1790255592 APHJTJBPBHCLCI-UHFFFAOYSA-N 492.501 5.353 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc5scnc5c4)CCC3)cc2)c1 1790763683 GDWIKVHNJXARQO-UHFFFAOYSA-N 470.529 5.369 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(NC(=O)c5ccco5)cc4)cc3)CCC2)C1 1790813016 NWNIQZDPGCNNSI-UHFFFAOYSA-N 469.541 5.246 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc(OC)cc4F)cc3)CCC2)c1 1791483460 YYGGUDUCFQKXOF-VZUCSPMQSA-N 499.542 5.176 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4)CCC3)cc2)c1 1792123885 SQOXMLQFTLDJBG-GOSISDBHSA-N 463.541 5.203 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(C(F)(F)F)CC1)c1ccccc1 1793926057 VGDXGIORLUFARD-GHNNLAFXSA-N 474.567 5.191 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1OCc1ccccc1 1799337257 ODAQVNXCLMMNTK-WKCHPHFGSA-N 485.049 5.090 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(C)(C)CC1)c1ccc(O)cc1 1800234447 NWISQOLMAMRBJS-ZKGSSEMHSA-N 464.650 5.134 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(Br)cc1F 1801589558 HNHCSQRLCANZTG-ACDBMABISA-N 479.434 5.151 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1802390483 NDUZEIQVNNNSJN-PXJZQJOASA-N 480.612 5.029 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1802495460 FFCJIYNOTITVSW-REWPJTCUSA-N 476.646 5.312 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803092599 XFOZTSSGBXUYQF-DHLKQENFSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCCc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1803493152 RSEATGYCXCFGHI-UWUFEASWSA-N 487.566 5.341 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(C#N)cc4)C3)CC2)c1 1804942840 FSDZUADFIVDFMK-UHFFFAOYSA-N 492.623 5.016 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1 1805857551 SPKRSSDKWSFYRC-FCHUYYIVSA-N 475.658 5.339 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)s4)C3)CC2)c1 1806800080 NSMAVHYROHTAGS-SFHVURJKSA-N 470.038 5.116 30 20 JKED Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)C2)ccc1F 1807546644 OQUJOFICVOJRTE-UHFFFAOYSA-N 495.598 5.088 30 20 JKED Cc1scc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(OC(C)C)c(C#N)c4)CC3)C2)c1C 1808792061 AUCCCSBSXGLNEL-UHFFFAOYSA-N 479.646 5.182 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c(Cl)c1 1808973522 FUBGXKMZJWXCMO-CUNXSJBXSA-N 494.982 5.393 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3ncccc3c2)[C@H]1c1cccnc1 1809015089 NVAOEWDEWZDSAI-LEAFIULHSA-N 498.703 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2ccc(C)cc2)[C@H]1c1cccnc1 1809476173 YXXRXVGLMZEPHH-RCZVLFRGSA-N 465.663 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1810174995 HTFSUSUSSJUKSZ-KMQNXVAFSA-N 494.079 5.949 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)ccc3F)CC2)C1 1810351711 CYFWUGGWZCFEII-UHFFFAOYSA-N 496.586 5.226 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)no3)C2)CC1 1810372847 QQNCFEJFPSBCQD-GOSISDBHSA-N 455.986 5.052 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1810505506 WYBXROLHAHFBGM-GCJKJVERSA-N 474.432 5.700 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810725967 ILFIRKOYLPYPJJ-RCSBWOJUSA-N 469.585 5.406 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1810762794 OFLIQNVDERXKMI-PXNSSMCTSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1812259582 ISXKOAYGKPRZGG-CJFMBICVSA-N 491.035 5.595 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812508880 RMAHJRHDZWFJAA-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1812592648 SCEPLWLPHPPCMN-HQQGYVGFSA-N 469.629 5.394 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccnc1 1813896528 CJJPKZLKPKWVDX-REWPJTCUSA-N 470.013 5.056 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1815206772 DKANKGWEOFQDIE-VWLOTQADSA-N 487.604 5.069 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1815246071 FTUWQABYLWMRLI-WMZOPIPTSA-N 488.963 5.342 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cccnc4s3)n[nH]2)c1 1818575159 IMBKNEGZWGFKSD-IIBYNOLFSA-N 484.585 5.266 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)nc3ccc(O)cc23)n[nH]1 1819003858 FJPGLHTYNFVUNL-XMMPIXPASA-N 473.577 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2F)[nH]n1 1819300385 AADXZLHDXDBIFU-JXFKEZNVSA-N 489.389 5.386 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)[nH]n1 1819556030 PFESUJBFUYZRSE-VWLOTQADSA-N 499.615 5.583 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(N(C)C)c(F)c2)[nH]n1 1819556100 SRHYPNBCUFZTPP-HXUWFJFHSA-N 473.568 5.052 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)[nH]n1)C(F)(F)F 1821994527 MHFDGYNWTJJXJS-QUCCMNQESA-N 466.479 5.099 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)[nH]n1 1822403589 JFDHUDLRYQNXKC-LJQANCHMSA-N 467.367 5.207 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)c1 1823216019 NDDISIILRYUILP-SABCTYFRSA-N 459.594 5.313 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823304281 VZFLKKLVIJUWCP-LJQANCHMSA-N 465.356 5.355 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc4ccc(Br)cc4c3)CC2)C1 1823701914 UIFALSWOMDABBA-DEOSSOPVSA-N 496.449 5.197 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1823812995 YFKNMIXAOKCRKG-FQEVSTJZSA-N 490.456 5.403 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)cc2s1 1824023909 LTFCZULNPLAZFV-SUMWQHHRSA-N 489.626 5.161 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccc(C)cc2)CC1 1824142475 RVJROGZZXUTWCM-VWLOTQADSA-N 454.680 5.475 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1824452615 XTPQCBBANMRDLD-PFBJBMPXSA-N 464.650 5.187 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1824502194 ZCZVGILIOPDYFS-ADXHGGABSA-N 458.687 5.195 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cccnc34)CC2)c(Cl)c1 1828043116 ZOIZKOFKFOAKRI-RUZDIDTESA-N 487.003 5.307 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1828268730 QWMXBOJSDOYJKM-SFHVURJKSA-N 498.496 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c1 1828679190 VAANARFRSVHOJY-KBMIEXCESA-N 486.641 5.470 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 1828822819 MEPWICYWOMHQCK-RTWAWAEBSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3cccc(OC)c3C2)CC1 1828829518 DDWVFEAUGJENBN-RGSZASNESA-N 478.677 5.188 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)nc2F)CC1 1828904667 YDGFDBZZJLLGFU-OAQYLSRUSA-N 492.111 5.159 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1828906605 WNDHZGPSEYEVGQ-RUZDIDTESA-N 477.725 5.452 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cncc(C)c2)CC1)c1ccccc1 1829029466 BCEBZJVCAQKQET-URLMMPGGSA-N 485.672 5.140 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CC1 1829622707 UHUASSXBQPJXJN-RUZDIDTESA-N 480.612 5.143 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765779 PTRJEWDBTQHITI-HOYKHHGWSA-N 469.029 5.176 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)c1 1829781240 GAYUWBCDCZTSHS-OAQYLSRUSA-N 492.929 5.106 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1 1829958278 DZVBDGHMHUFYCS-JOCHJYFZSA-N 470.400 5.412 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1830421896 PHSRIAAJYPJSNB-BTYIYWSLSA-N 486.415 5.167 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1830775415 XQUJGSKGKDNLBZ-VWLOTQADSA-N 479.571 5.011 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(OCc4ccccc4)ccc3O)CC2)C1 1830792252 KKPMHFRBWDBWKO-MHZLTWQESA-N 488.628 5.171 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 1830806104 KZPZIWILTWPENK-SFHVURJKSA-N 458.908 5.048 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831031298 SSGHBKNGYRZULW-HHHXNRCGSA-N 488.628 5.053 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1831376354 MRSDDRQLQHOCMD-PXDATVDWSA-N 487.084 5.220 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1831449427 ZMOWSWOORYBDKL-CTNGQTDRSA-N 464.984 5.201 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1831531577 DYEUYCOVWGXWGF-JYFHCDHNSA-N 482.741 5.125 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)S)CC2)c2ccccc12 1831847405 FRGILRPBVZGVIS-NLFFAJNJSA-N 452.664 5.019 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1831852510 OXNCYXHHGKSWHM-OAQYLSRUSA-N 468.947 5.396 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1831858443 OIEQNNRVDJQIGI-JOCHJYFZSA-N 454.998 5.311 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCCC(=O)OCc2ccccc2)CC1 1831861257 NOUCCIZROGDFFK-HHHXNRCGSA-N 496.692 5.656 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2cccnc2)CC1)c1ccccc1 1832339810 GWLIKFSTEBMJLK-FQLXRVMXSA-N 485.672 5.221 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c1Cl 1832602795 FEJFOAULWNENSQ-QHCPKHFHSA-N 467.972 5.206 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1832634694 YRFJRLOEUODMRD-UQBPGWFLSA-N 497.561 5.880 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832830342 RKNLRQUGPVWUFC-IBGZPJMESA-N 455.813 5.294 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)CC2)CC1 1838657632 MZNLDJSSNWZNNU-JOCHJYFZSA-N 492.635 5.241 30 20 JKED COc1c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#Cc2ccc(Cl)cc2)cc2ccccc2c1Cl 1847475840 LTAGFFNLXKDWOV-GOTSBHOMSA-N 493.390 5.022 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc2c(c1)OCCO2 10179625 ZZCIMSQOTBLAMX-UHFFFAOYSA-O 460.000 5.074 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(Br)c2)cc1 11084947 WWXCOXOAYJSKOC-UHFFFAOYSA-O 485.471 5.695 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(SC(F)F)cc1 11113243 IZYNDMGCHREARK-UHFFFAOYSA-O 471.618 6.519 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2scc(-c3cccs3)c2c1=O 11380590 HQDKVHLJBVWDTA-UHFFFAOYSA-N 499.639 5.121 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccc(Cl)cc1 14069663 DLSNQOIUEGUCCI-UHFFFAOYSA-N 453.782 5.822 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2F)nc2cc(-c3ccccc3)sc2c1=O 21494370 MUTGMXVTTSPCPG-UHFFFAOYSA-N 451.548 5.181 30 20 JKED CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2-c2ccccc2F)cc1 22128579 CRWUKIIVVWWSHM-NSYGIPOTSA-N 481.597 5.007 30 20 JKED N#Cc1cccc(NC(=O)CCSc2nnc(Cc3cccs3)n2CCc2ccccc2)c1 26153602 HZXQEAIDRYTWNC-UHFFFAOYSA-N 473.627 5.166 30 20 JKED N#CC1(c2ccccc2)C/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1 28912939 WTZWNQVFQXOGDG-ROUMAOROSA-N 497.463 5.206 30 20 JKED C=CCN(C(=O)[C@@H]1CC(=O)Nc2ccccc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 58530764 DZSODFLOOZAGDA-OAHLLOKOSA-N 458.370 5.762 30 20 JKED CCN1C/C(=C\c2cccc(OCc3cccc(C#N)c3)c2)c2nc3ccccc3c(C(=O)O)c2C1 69646235 PKYLIGDAEGJKKS-OEAKJJBVSA-N 475.548 5.760 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1sc2nc(CSc3cc(C)ccc3C)[nH]c(=O)c2c1C 109442720 KSAFNAAHPOXDEN-UHFFFAOYSA-N 481.565 5.393 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 195586330 AJQCZAHHXRZGCX-UHFFFAOYSA-N 463.456 5.246 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2ccccc2n1C(F)F 195727840 DVGZGQGZHWLVPM-GCJKJVERSA-N 451.860 6.081 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OCC)cc1 252620353 MCJORPPIACKYHA-LJQANCHMSA-N 477.508 5.250 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)CSCc1ccc(C#N)cc1 302972483 SMIXAUYHAFWKEO-IAGOWNOFSA-N 456.011 5.487 30 20 JKED N#CC1(C(=O)Nc2cc(NC(=O)c3ccccc3I)ccc2Cl)CCCC1 409850436 MLQMDMZFKKBINC-UHFFFAOYSA-N 493.732 5.219 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)cc2F)c1 485026337 SHYVMCKQGZZRMQ-UHFFFAOYSA-N 468.403 5.235 30 20 JKED C[C@H](NC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)cc1)c1ccc(C#N)cc1 499238042 QLAJOZICQMHDQG-VXKWHMMOSA-N 498.586 6.079 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)c1 505597563 UOBDGKKBYHUTEI-UHFFFAOYSA-N 479.989 5.763 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)c2C#N)C1 506604118 SHMVKIZNVPTAIW-IBGZPJMESA-N 479.646 5.027 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc1 508238393 BJZYKDRFUXCUFC-FQEVSTJZSA-N 494.551 6.216 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 512859756 DWAMVYLODILWBO-UHFFFAOYSA-N 453.907 5.922 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2-n2cccn2)nnc1-c1ccc(Cl)cc1Cl 514424601 IUBQETZBOYXPQJ-UHFFFAOYSA-N 485.400 5.354 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 515539292 SIMXVIAXCMLCTK-MRXNPFEDSA-N 482.970 6.112 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3n[nH]cc3c2)nnc1-c1ccc(Cl)cc1Cl 515765123 QOBBHYFJANZSKZ-UHFFFAOYSA-N 459.362 5.045 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 516429125 NRHNFPQMDCITOX-UHFFFAOYSA-N 494.363 5.038 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 518668278 YRBXYYCMXRSVDX-SFHVURJKSA-N 458.612 6.164 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)n1 518670750 JVLMLXXJGDZTJU-SFHVURJKSA-N 476.945 5.316 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cc(F)ccc1N1CCN(C)CC1 518754488 OSLCBMZFUUCMHM-IBGZPJMESA-N 473.552 5.124 30 20 JKED CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519439209 BUXKLOHYSASXBQ-HNNXBMFYSA-N 479.524 5.314 30 20 JKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 520426039 SIYPQHPAHJKVDB-HNAYVOBHSA-N 467.903 5.432 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)ccn2)cc1 521747457 VJADCRPFGNXFMD-GOSISDBHSA-N 462.575 5.846 30 20 JKED CC(C)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)cc1Cl 523242699 QRMKSWYQGVESAB-UHFFFAOYSA-N 456.905 5.257 30 20 JKED CC[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 523670190 DBQXMMAJLRSCIU-NRFANRHFSA-N 460.390 5.142 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 523991799 ONYDQZLRGDKFJO-OAHLLOKOSA-N 483.355 5.219 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 524425924 IKZHFFWCWMBEEK-SFHVURJKSA-N 461.949 5.257 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2F)c1 524455926 IAXMVIWBZLDWLV-UHFFFAOYSA-N 467.500 5.188 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(F)cc2Cl)cc1 524675591 LACTWGUSHROSIE-OAQYLSRUSA-N 456.304 5.157 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nnn(-c4cccc5ncccc45)c3C)n2)cc1 596533610 URBMQIANLVVOPE-IBGZPJMESA-N 450.527 5.046 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Cl)cc1 603693031 TUOLXLSGJQGHII-JOCHJYFZSA-N 458.909 5.044 30 20 JKED Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1 603775809 XPNSUIQLTDHHKI-UHFFFAOYSA-N 463.563 5.620 30 20 JKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 603836528 AADWFTNLLIGQIH-HNNXBMFYSA-N 481.839 5.803 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3oc4ccccc4c3CSc3ccc(Cl)cc3)CC2)nc1 604196410 FZXHRPAZWHEXTK-UHFFFAOYSA-N 489.000 5.608 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(Br)c4)C3)cn2)cc1 604533147 IBZGRKVSDIZZKV-NRFANRHFSA-N 479.334 5.113 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 609080820 NXVJYXBTFXZWEW-QFIPXVFZSA-N 491.595 5.909 30 20 JKED N#C[C@H](C(=O)c1cc(I)cc(C(F)(F)F)c1)c1nc2ccccc2s1 609089736 APQDVUUWKWSLDQ-GFCCVEGCSA-N 472.229 5.410 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F 612613171 QQXWTLQFBOVYTK-UHFFFAOYSA-N 475.364 5.560 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1cccc(C)c1 644492631 BTPSQUKYPZEWMA-UHFFFAOYSA-N 472.618 5.363 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 726320044 RAXRLDDSHNEJQU-IBGZPJMESA-N 456.527 5.039 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CC[C@@H](C)OC)C1=O 726401620 UGSPMKQOWIKYJG-IERDGZPVSA-N 490.025 5.042 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C#N)c(Cl)c1 726409205 PILZNSJQWJHSON-LJQANCHMSA-N 458.946 5.111 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 726570843 LYQRBIRQMFUKGV-UHFFFAOYSA-O 463.026 6.428 30 20 JKED CC(C)(C)c1nc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 726858359 JJKZXWGYONESGC-AWEZNQCLSA-N 450.416 6.290 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728119838 TZTRGNYSYDNEDO-RUZDIDTESA-N 479.502 6.834 30 20 JKED CCCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccccc1 728146111 SKSIKNMHUKWXES-DEOSSOPVSA-N 456.546 5.430 30 20 JKED Cc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(C)n1-c1ccc(C#N)cc1 728268176 LLWKSMLCPSOWPX-UHFFFAOYSA-N 458.949 5.780 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccc(C)n2)c1 728422704 DUAHYGIBOJFTEM-XMMPIXPASA-N 483.597 5.039 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 728423170 POFFTQBYYSWWSS-KSFYIVLOSA-N 489.988 5.328 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cocn2)C1=O)Nc1ccccc1 730715480 GETCBSIVCLPXIY-GOSISDBHSA-N 475.357 5.142 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1N(C)C(=O)c1ccco1 730999868 FXKOUWBYVSSGQS-UHFFFAOYSA-N 452.470 5.176 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)n(Cc2ccco2)c1C 731279539 ZHWJKAIEEFSDFU-BJKOFHAPSA-N 467.525 5.057 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731305076 GKPQMHXDAPPHBS-OAQYLSRUSA-N 465.962 5.206 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731308050 LPKRTJAEXVOSBK-ILBGXUMGSA-N 471.582 5.504 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2OC)s1 731309032 PIJJBLBCAIXVHU-JOCHJYFZSA-N 495.626 5.185 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CC)CCC)c1 743835714 FBBBSRJLQQSAGO-KRWDZBQOSA-N 465.015 5.038 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)c(Cl)c1 799216072 ZYANCANHHZMLSS-QGZVFWFLSA-N 483.874 5.091 30 20 JKED Cc1oc2c(CN(CCC#N)Cc3cccnc3)c(O)ccc2c(=O)c1-c1ccccc1Cl 834888199 DWZQNNJUQXIMEC-UHFFFAOYSA-N 459.933 5.438 30 20 JKED COc1cc(/C=C(\Cl)c2nc3cc(Cl)ccc3n2Cc2ccccc2)ccc1OCC#N 834909804 PXRMIHUQLNOHGL-MOSHPQCFSA-N 464.352 6.386 30 20 JKED C=CCOc1c(Br)cc(CNc2cccc([S@](C)(=O)=NC)c2)cc1OCC 864014262 JKQQYFPQKWECMK-MHZLTWQESA-N 453.402 5.111 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N(O)Cc3cc(Cl)cc(Cl)c3)nc(O)c2c1C 901379674 MWQNTJPWCOZNEZ-NSHDSACASA-N 472.419 5.360 30 20 JKED CCc1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)cc1 913099535 PKLULHOTPPUROI-INIZCTEOSA-N 456.782 5.457 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 914537941 GQLDYKYJXTWLHQ-IBVKSMDESA-N 494.620 5.634 30 20 JKED Cc1ccc(-c2nnc(COC(=O)[C@@H](C)Sc3cc(C)c(C#N)c4nc5ccccc5n34)o2)cc1 914892796 GROVJJKRERFLHX-QGZVFWFLSA-N 483.553 5.250 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101893 NZSQLOFSPBRPGR-OALUTQOASA-N 470.019 5.191 30 20 JKED N#C[C@@H](C(=O)CN1C(=O)CSc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103180 QKKCSAPFUCMTST-AWEZNQCLSA-N 474.394 5.432 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)[C@@H]1c1ccc(OC)cc1 915103938 HZEMJLZOCPQWDE-YDHSSHFGSA-N 480.515 5.006 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 915104352 OTBZTOJEZJBHDY-INIZCTEOSA-N 488.516 5.478 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 915351379 ABQQICIDLXAKEZ-GOSISDBHSA-N 486.444 5.392 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915354226 XQFWGQGODIKJRS-RXFWQSSRSA-N 490.629 5.255 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 915860136 KMOATPNYQLWEJP-PXLXIMEGSA-N 455.514 6.434 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc(Br)c1O 916127684 DWLLKGZKMRWHLA-MDWZMJQESA-N 496.357 5.467 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CCCC2)C1=O)Nc1ccccc1Br 916204922 KJROQADSJLGRTI-LJQANCHMSA-N 472.408 5.352 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2n1C 916845332 SRONWULAMWDBPT-KRWDZBQOSA-N 452.345 5.102 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CSc1cccc(C(F)(F)F)c1 916901702 AGEJMJNCNFFQED-AWEZNQCLSA-N 456.873 5.116 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 916951226 XYHQNBOYPFWHKK-VFNWGFHPSA-N 468.479 5.674 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)n2)cc1 916975337 XWICKNMVNDUNRV-HSALFYBXSA-N 455.608 6.655 30 20 JKED COc1ccc(CSCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 917045170 YBQJCNBZRSCYHX-ZDUSSCGKSA-N 481.477 5.342 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2F)C[C@@H](C)O1 917250756 HZSBFFJMDGUQLX-KDURUIRLSA-N 475.589 5.856 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccc3ccccc3c2)c1 917611423 YUNZVHBOPSVGCZ-UHFFFAOYSA-O 496.656 6.556 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)cc1 917681873 RCDJULRWESVLPZ-OAQYLSRUSA-N 482.606 5.114 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N(Cc2cccc(NC(C)=O)c2)C1=O 917697728 LIEZKJWQPYHKLP-HSZRJFAPSA-N 494.661 5.160 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCOc2cccc(Br)c2)cc1 918033615 DXPOXPAQOOTAGJ-QFIPXVFZSA-N 450.336 5.305 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 919652311 CKFVBNIBPBHRLH-ZIFCJYIRSA-N 455.402 5.937 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cc(C)on3)C2=O)cc1 920353088 AMTZIJGTCQTABM-QFIPXVFZSA-N 462.575 5.069 30 20 JKED C[C@H](C#N)CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1 920449490 YAQLOJHYVRGNGE-GOSISDBHSA-N 499.995 5.106 30 20 JKED N#C[C@@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2c(F)cccc2F)cs1 920804138 LTUSXJOPFUEINA-AWEZNQCLSA-N 454.458 5.087 30 20 JKED N#C[C@H](COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Cc1ccc(F)cc1 920879717 JEGDQWODWDUKEP-NTKDMRAZSA-N 464.924 5.266 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1C 920893061 AMLPPCDRVFOPLD-UHFFFAOYSA-N 471.344 5.183 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 921133227 VNBYPWNCUWHFEJ-INIZCTEOSA-N 493.997 6.587 30 20 JKED CCN(C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12)[C@H](C)c1ccc(C#N)cc1 1625596693 YJNVGZVGYYTRRB-QGZVFWFLSA-N 455.587 5.560 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C(F)(F)F)cn3)CCC2)cc1 1785842168 SHJNAKXRTAUIDX-UHFFFAOYSA-N 460.500 5.236 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccc(F)cn34)CCC2)cc1 1785843021 OTFFLDPSDIRMRV-UHFFFAOYSA-N 462.569 5.522 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCc3cnc4ccccc4c3)cc2)CCC1 1786035488 HYMBDGUHOWYPQG-UHFFFAOYSA-N 459.615 5.221 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C=C\c3c[nH]c4ccccc34)CCC2)cc1 1786364024 AWMKEJGQHLMWDP-GDNBJRDFSA-N 457.574 5.298 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)s1 1787335333 NRGIQTRXECJICY-ZHACJKMWSA-N 465.600 5.008 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cc4ccc(F)cc4)c3)CCC2)cc1 1787889060 DVSWOTJSCNAGDP-UHFFFAOYSA-N 455.533 5.468 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(Br)c4[nH]3)cc2)CCC1 1789328839 HCDFSPQTJMTYIE-UHFFFAOYSA-N 452.352 5.254 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4ccc(Br)cc4n3)cc2)CCC1 1789363888 QJQLYPLBHHBTRG-AWEZNQCLSA-N 484.419 5.063 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)CCn3nc(C)cc3C)CCC2)cc1)c1ccccc1 1789601112 ZHCDUWPDXOYUQC-MHZLTWQESA-N 482.628 5.221 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789995349 MAVKMPBTSRKMNQ-HSZRJFAPSA-N 497.595 5.749 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c(OC)c1 1790083036 XFUHIEHZOPEWRG-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5ccccc5)n4)CCC3)cc2)c1 1790144684 AMBFQTSDSACDBI-UHFFFAOYSA-N 461.525 5.010 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1)C(F)(F)F 1790188030 OFXJAKPVQSUFOG-UHFFFAOYSA-N 493.482 5.493 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1 1790705248 NDTZTAIMTNXTLR-SVBPBHIXSA-N 479.580 5.313 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccc(Cl)cn4c3C)cc2)CCC1 1790976846 ZCUKDLDSVRMOEA-MRXNPFEDSA-N 450.970 5.256 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3c(F)cncc3F)CCC2)cc1)c1ccc(O)cc1 1791642460 KKGORXHOHJIIJN-IBGZPJMESA-N 489.522 5.010 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1)c1ccc(O)cc1 1791644041 CVQMCMMYESZPEV-LEWJYISDSA-N 480.555 5.459 30 20 JKED CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1ccc(C2(NC(=O)C#CC3CC3)CCC2)cc1 1792205959 BYHKCTAJSJJBHG-UHFFFAOYSA-N 481.637 5.009 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cc2ccccc2o1 1797700785 BLLJMQQDXJJYBS-AYPWKMIQSA-N 462.666 5.135 30 20 JKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1798451792 WUBKMQSRIZLOIO-NDBXHCKUSA-N 491.632 5.010 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799145882 MHFHJZXJHUNTKW-CIAFKFPVSA-N 473.642 5.917 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC(F)(F)F)c(F)c1 1800263957 IVKCWZOEKZOSEB-BCDXTJNWSA-N 470.507 5.011 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1804209354 JDDWVFWTANYKOA-YIXXDRMTSA-N 496.051 5.368 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)cc4F)C3)CC2)c1 1805069275 VJCXHUMIHFGFRA-GOSISDBHSA-N 467.972 5.265 30 20 JKED O=C(/C=C/c1ccoc1)N1CCCC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)C1 1806822010 LNEMRYOTDUJGSL-SDNWHVSQSA-N 478.592 5.238 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc3ccccc3c2)[C@H]1c1cccnc1 1807893153 UDSKNQGIYXQFPD-FREGXXQWSA-N 488.591 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810503096 OBJMEUBHOATZQG-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cc(Br)c4ccccc4c3)C2)CC1 1810761873 UOXBYIUYOMXAKQ-UHFFFAOYSA-N 495.461 5.641 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2F)[C@H]1c1cccnc1 1811401545 GFHVBLWVWPNIQW-GBXCKJPGSA-N 462.569 5.014 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)ccc2[nH]1 1811420633 PURRHKIRFYMDPR-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811734279 PQJNDHGJEOYCJA-CRHWOTLGSA-N 491.016 5.091 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 1811935903 GLXJDRNXYTULSQ-KVVRFYPFSA-N 499.014 5.038 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[C@H]2c2cccnc2)C1 1812217430 LAKMXJWEDMAADH-KDYSTLNUSA-N 480.568 5.109 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@H]1c1cccnc1 1812592488 UVAXXWLPXOGGNM-NHZRIVAWSA-N 482.584 5.355 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1813048682 QQWRYLXBBWCGHW-MHECFPHRSA-N 466.006 5.073 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3ccccc32)[C@H]1c1cccnc1)c1ccccc1 1813168202 KAXLQFRRVKWHBF-RRFVUZEHSA-N 491.635 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1813957011 ISMCFQDOGYJXBQ-REWPJTCUSA-N 487.566 5.721 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[nH]n1 1814828769 RVDLOXLXTVGIOK-IGQYLQMFSA-N 487.604 5.374 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)[nH]n1 1818116135 XUFKONSOKGLDNC-UHQCDKSBSA-N 494.661 5.509 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n[nH]2)C1 1818164149 XBPKDCUABUWEED-HXUWFJFHSA-N 464.953 5.595 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224043 BADHJHIVZJRIDD-HRAATJIYSA-N 465.985 5.619 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)[nH]n1 1819554986 VONMZTXZDHXXPK-OAQYLSRUSA-N 469.536 5.468 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(=O)OCC)c2F)[nH]n1 1819555673 UUXXCXDFLXTWKX-FQEVSTJZSA-N 484.572 5.024 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4c(ccc5ncccc54)s3)n[nH]2)CCC1 1820095657 IIJQWWBWMGZGJR-HXUWFJFHSA-N 484.585 5.172 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ncsc34)[nH]n2)c1Cl 1820219736 WQKLIYYVZYTMAI-IBGZPJMESA-N 490.976 5.164 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)[nH]n2)cc1 1821182562 TWVQCOWUCRAAHJ-HSZRJFAPSA-N 496.596 5.219 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccc(Br)cc3c2)n[nH]1 1821425788 HCTXQQUSWZCMPA-QVKFZJNVSA-N 496.409 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821694493 PZYLQGRWRLQCIO-QUCCMNQESA-N 469.655 5.673 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2OC)n[nH]1 1821791884 SXLRTNHCLPREBQ-OAQYLSRUSA-N 471.001 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2OC)n[nH]1 1821844735 ARUSNQPMJDUUKR-HXUWFJFHSA-N 473.017 5.299 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccnn3C)c(Cl)s2)[nH]n1 1821920201 HMNHKYVDFQXWHA-KSSFIOAISA-N 487.029 5.043 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)[C@H]4CCCc5c4[nH]c4ccc(Cl)cc54)sc3C2)C1 1822780536 ABUNKCRMEBMRMS-WMZOPIPTSA-N 495.048 5.276 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c1 1823218122 YHYUNKROZIUPOJ-NYHFZMIOSA-N 479.943 5.449 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1)NC(=O)OC(C)(C)C 1823347795 GTVHENMSNOOWQM-CTNGQTDRSA-N 487.645 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1823676426 YZAAIABVCDPWDE-SBUREZEXSA-N 499.442 5.563 30 20 JKED Cc1cc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1F 1823686370 ZEQOIKODJVLKEM-SANMLTNESA-N 479.571 5.011 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1824497001 SILCBICXQDCLDG-XMMPIXPASA-N 472.029 5.037 30 20 JKED C=C(C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3c1oc1ccccc13)CC2)C(F)(F)F 1825270845 ZNXPWBYRALJIBK-CYBMUJFWSA-N 485.487 5.387 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825425101 PFWRCFUQDRVQQQ-DEOSSOPVSA-N 469.576 5.435 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1)c1ccccc1 1825645182 DANCJBVTJBQDNM-JWQCQUIFSA-N 489.685 5.451 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828149163 IPFFPNWFPILOPC-SANMLTNESA-N 474.004 5.106 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1829068694 KYVIIYWNKKKNFR-JOCHJYFZSA-N 476.702 5.357 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(OC)c2)CC1 1829678025 WGJBHIVZDFFIMO-NLFFAJNJSA-N 453.627 5.017 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3F)CC2)c1 1829886663 LYWOUOSLCNCSQR-CJAUYULYSA-N 465.544 5.139 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)c1 1829956652 PAJPNLLYZSVBKJ-HHHXNRCGSA-N 486.591 5.045 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829971604 LRQKIAQZUFTBEQ-FQEVSTJZSA-N 455.451 5.146 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1O 1830480085 MFZJWQIDXDOVAD-HSZRJFAPSA-N 499.533 5.138 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)CC1 1830684571 ZQNONIXPCQZXJY-XMMPIXPASA-N 468.638 5.014 30 20 JKED Cc1cc(F)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830722815 RUKPRHBLYWFCPB-DEOSSOPVSA-N 467.972 5.206 30 20 JKED COc1ccc(Cl)cc1CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830769921 CKJYKOUDPIMCMG-RUZDIDTESA-N 494.035 5.005 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770197 OQHUPBLOKJWRBJ-AREMUKBSSA-N 473.617 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)CC1 1831231438 MWMUWRWAKXJYOG-RCZVLFRGSA-N 454.655 5.456 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1831503734 OPHCDAQBPUCXDB-NEKDWFFYSA-N 471.645 5.304 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1831522980 FRYIEKLLVKNMSU-LXFBAYGMSA-N 471.645 5.488 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1)c1ccc(O)cc1 1831926331 QAVBGUXHGGXLSR-AJTFRIOCSA-N 494.582 5.101 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 1832633598 LHOQKDJRIYALGP-IQGLISFBSA-N 465.544 5.139 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)c(Cl)c1 1832661760 KQGPYLOILLHDOO-RUZDIDTESA-N 480.008 5.076 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719675 OXKXBWYPTCCMDR-SJCJKPOMSA-N 463.858 5.198 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)CC2)CCC1 1832788581 XCZAGVJERXAULH-QFIPXVFZSA-N 487.566 5.051 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1ccc(F)c(F)c1CSc1ccccc1)C2 1841626499 SAQYLCJXOASMIN-JOCHJYFZSA-N 490.641 5.029 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Oc4ccccc4)cc3)C2)c1 1845313671 FNQZUUKDGHYKPA-OAQYLSRUSA-N 465.553 5.237 30 20 JKED C[C@@](C#N)(NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1)C1CC1 8803978 ZUNGCHBNULQBEF-VWLOTQADSA-N 489.988 5.506 30 20 JKED COc1ccc(Nc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)s2)cc1 10083965 SDEHJFHOFSUACP-UHFFFAOYSA-N 471.633 5.223 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1cc(Cl)ccc1C#N 10729899 GQXBBMXBPXVHKS-UHFFFAOYSA-N 499.954 5.952 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10763957 KFSXMGWOSZSQCA-UHFFFAOYSA-O 486.032 6.730 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccccc2CC)c1C 11083320 BGXPSWVIXPRXHG-UHFFFAOYSA-O 482.601 5.157 30 20 JKED C=CCn1c(SCc2cc(=O)n3ccccc3n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 14762956 VXPVVBHHCQUFEJ-UHFFFAOYSA-N 490.585 5.059 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1ccc(Cl)s1 22735286 CGULBHORAFKVRJ-UHFFFAOYSA-O 456.056 5.339 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nnc1-c1ccco1 23202032 ZIJLALFWYVHLRV-UHFFFAOYSA-N 465.604 5.774 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)c1C#N 28491495 MZJQHKLKYARCHO-JKSUJKDBSA-N 459.571 5.128 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccc(OC)cc2)c1 29097998 JBCHCAZMOGQPPI-IBGZPJMESA-N 499.032 5.563 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)Nc3ccccc3-c3ccccc3)nc3ccccc3c2=O)cc1 45619579 RAHCEKHJZJKBSB-UHFFFAOYSA-N 488.572 5.655 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 106114962 JLZDVORVMGOBQB-UHFFFAOYSA-N 467.856 5.527 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 108329177 JJKOVGVZCRBSTL-UHFFFAOYSA-N 499.502 5.053 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2sc(CC)cc2C#N)c1 108394749 FMMGXPKSSZKTEB-UHFFFAOYSA-N 486.018 5.469 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3oc4ccccc4c3CSc3ccccc3Cl)CC2)nc1 195709973 CDGPRHJTSDYZQZ-UHFFFAOYSA-N 489.000 5.608 30 20 JKED CS(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 195721279 AKCNRMZMQHRRNX-QHCPKHFHSA-N 482.989 5.197 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(-c2ccccc2)cs1 410396782 IFFUFQKZONCJFA-KRWDZBQOSA-N 468.538 5.290 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ccccc3Br)s2)cc1 491501993 FYUSNAPZKLUTGB-UHFFFAOYSA-N 459.394 5.036 30 20 JKED C[C@@H](Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 498053652 RPMZGOIQVQURKO-MRXNPFEDSA-N 473.664 5.041 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)n2)cc1 499576072 RSYADHNNZAVLSS-INIZCTEOSA-N 470.432 5.378 30 20 JKED COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1 500228851 NJAKUARJOJLQEE-UHFFFAOYSA-N 491.613 5.003 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(NC(=O)c4cccnc4)cc3)cc2Cl)cc1 501131265 KDAWVOXWKWUMRH-UHFFFAOYSA-N 497.942 5.973 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(C)c1 501181428 JMTQWAPAYGDXJT-LJQANCHMSA-N 459.619 5.660 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 505686776 VWCQNPSZBMWOSL-UHFFFAOYSA-N 498.560 5.585 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 508267647 OWTOPLKAWSMQPI-UHFFFAOYSA-N 465.513 5.557 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc1 508291829 IONFAYNAXKBPTD-DEOSSOPVSA-N 486.572 5.326 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 510241443 MOHVORYFUWZQNJ-JOCHJYFZSA-N 463.946 5.754 30 20 JKED CN(Cc1ccc(OC(F)F)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 511272847 KGEALXQWEMSBFI-NRFANRHFSA-N 483.902 5.194 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3cccc(Br)c3)c2)cc1 511580654 NGPJGPLWEHSAFM-VWLOTQADSA-N 490.401 6.463 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 512541119 RETWHEJOCVADJX-UHFFFAOYSA-N 470.312 5.034 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccc(C(F)(F)F)cn1 513142692 GJBVTKRGLOYWFF-CYBMUJFWSA-N 458.749 5.448 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 513729155 WRFDISFGYQMITQ-FQEVSTJZSA-N 470.529 5.242 30 20 JKED CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2cccs2)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 515430141 RABWAVBOYFJPIM-ZSXDVEMLSA-N 457.669 5.104 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](C)c1cc2ccccc2o1 516265734 WRPZQPOKDLMSGK-NRFANRHFSA-N 495.579 6.016 30 20 JKED CCN(C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@H](C)c1cc2ccccc2o1 518546600 GQKNCFZJUABLGW-LJQANCHMSA-N 467.525 5.432 30 20 JKED Cc1cc(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(C)c1OCC(F)(F)F 518681630 CKSINAOYRWDNPR-HNNXBMFYSA-N 465.541 6.160 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)cs1 520192024 WFZACTBZJUDEDM-KRWDZBQOSA-N 482.565 5.598 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nnc1-c1ccoc1C 520355750 QXJOUHCTZJNKHL-UHFFFAOYSA-N 457.353 5.742 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(OCc2cccnc2)cc1 520668306 FLQQUGKQOGCZAH-FQEVSTJZSA-N 492.535 5.140 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nnn1-c1cccc2ncccc12 521794940 ZZUGMXCAZAKPHD-UHFFFAOYSA-N 474.524 5.021 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 521962910 SABMIDSXUDWASQ-OAHLLOKOSA-N 457.317 5.932 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1 523373055 NZPMREDSPCIXOA-UHFFFAOYSA-N 483.568 6.103 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2cc(C#N)ccc2OC(F)F)nnc1-c1ccccc1 524114013 KZZGPLQICMTAAX-AWEZNQCLSA-N 457.506 5.120 30 20 JKED O=C(CSCC(=O)Nc1ccc(F)cc1C(F)(F)F)Nc1ccc(F)cc1C(F)(F)F 536015507 TZAQHYVPWVSKKJ-UHFFFAOYSA-N 472.357 5.313 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c3c2CCC3)cc1 557493893 DXKVNEBWOZSJDS-IBGZPJMESA-N 483.597 5.003 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)N(Cc3ccccc3)c3ccccc3C#N)n2)cc1 567072961 HLBYEAGODVZEOI-UHFFFAOYSA-N 452.514 5.173 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCc3c(Br)cccc32)cc1 590138096 LHQZMRXICZVRAZ-OAQYLSRUSA-N 454.368 5.072 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 590880736 OCFXECTXWFNXFB-OAHLLOKOSA-N 456.449 5.390 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3c(COC)cccc3s2)nnc1-c1ccc(Cl)cc1 591677350 QITRTTVLJXFCEA-UHFFFAOYSA-N 486.022 5.271 30 20 JKED C=CCN(C(=O)C[C@@H](C)Cc1ccccc1OC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 593009209 JAXYDBCCCRWYJF-SFHVURJKSA-N 484.643 5.010 30 20 JKED CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603673445 YOJVHTJOVPKMEP-QHCPKHFHSA-N 475.976 5.543 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603766001 IJHVXVPRTMUICM-QFIPXVFZSA-N 457.965 5.384 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC(F)F 603831097 ADBKOYBLDOLDET-UHFFFAOYSA-N 481.499 5.606 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2Cl)cc1 604288657 LNJPYBAMJURHAT-ZIAGYGMSSA-N 491.819 6.599 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 604502430 GYVDUIMCKDLSOG-UHFFFAOYSA-N 463.509 5.487 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 604554443 CWNKWIHGJPNRHY-NRFANRHFSA-N 466.585 6.107 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)CC2)nc1 608951723 PRQHFGAZZUFTLY-UHFFFAOYSA-N 463.006 5.298 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)o2)cc1 609054326 CDSRXLWQBOUKFI-UHFFFAOYSA-N 466.519 5.265 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 609066243 COGFPOANPXLPBA-UHFFFAOYSA-N 453.392 5.483 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 609078943 FAYQAYKKCVUXMV-SQJMNOBHSA-N 454.574 5.403 30 20 JKED Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccccc3SC[C@H](C)C#N)c2c1C 609378257 YQKCNMFERHNZLF-OAHLLOKOSA-N 490.679 6.963 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(Sc3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 609381902 MXUPVMPWEVSNOW-UHFFFAOYSA-N 469.526 5.775 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)c2)c1 609399336 TUJINLNGQGLWRJ-SANMLTNESA-N 463.541 6.051 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609429520 IQZMQHACVNMQIA-DEOSSOPVSA-N 459.571 5.149 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)cc2)c1 609434383 AUEXAFTYWXYNFB-UHFFFAOYSA-N 465.513 5.812 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 611871750 BWZICGDQTNVACX-HSZRJFAPSA-N 476.960 6.004 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 613350762 RQBRHGUHGUWIGH-UHFFFAOYSA-N 477.408 5.569 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)nnc1-c1ccccc1OC 613933714 YAEBRPMIJCQWPE-VWLOTQADSA-N 496.636 5.406 30 20 JKED Cc1c([C@H](C)NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 618553500 DCACABXFZXRXPM-FPMFFAJLSA-N 466.401 5.153 30 20 JKED Cc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 619321981 MXJYFFOXVQDCQI-QWRGUYRKSA-N 466.344 5.967 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 619972968 HIXXNGFEXUCXER-INIZCTEOSA-N 470.501 6.146 30 20 JKED N#C[C@@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2cc(C(F)(F)F)ccc2s1 623584321 GBKYFUPFOOABEJ-ZDUSSCGKSA-N 487.894 5.917 30 20 JKED N#C[C@H](C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1nc(-c2ccccc2)cs1 642281848 UBRQBKCESUYVSZ-JOCHJYFZSA-N 462.534 5.058 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc2ccccc2n1C(F)F 642282659 QOFMNEIFIOIPKN-CQSZACIVSA-N 451.454 5.421 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 642565688 RTOSSSPEEKAZDU-YNEHKIRRSA-N 491.398 5.343 30 20 JKED C=CCN(C(=O)CCNC(=O)Cc1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 648352242 UISKMENVLDPYQL-UHFFFAOYSA-N 474.413 5.385 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN(CCC)C2CCN(C(=O)c3ccccc3)CC2)c1=S 725787214 QHEZNKJAVYCVBU-UHFFFAOYSA-N 489.689 5.550 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 726319402 HUTTXSIQFAFTKB-OAQYLSRUSA-N 452.514 5.284 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(C)C)cc1 726415101 HRTIOOFSPVEUQY-HSZRJFAPSA-N 492.601 5.239 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CC(F)(F)F)C1=O 726423364 ZATOHJFWDGDRFN-SPXBZFAHSA-N 499.580 5.489 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1sc2ccccc2c1C 726570852 MDFKWWYVVRHWTD-UHFFFAOYSA-O 491.061 6.908 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 726754416 GTGNTOVETVWQHY-UHFFFAOYSA-N 452.489 5.135 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccc(OCC#N)cc3)C2=O)cc1 727650591 NHHXMCCVAIYXTR-VWLOTQADSA-N 498.608 5.366 30 20 JKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc4c(c3)OCCO4)cc2Cl)c1 727978967 QUXUCGOGCOXRAQ-UHFFFAOYSA-N 451.935 5.371 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 728122067 WLUAJEYIOMLNKY-IBGZPJMESA-N 490.991 5.510 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2F)c1 728392743 OINOYLRNGRHVSU-UHFFFAOYSA-N 476.577 5.151 30 20 JKED Cc1nc(/C=C\c2nccn2CC(F)(F)F)sc1C(=O)/C=C/c1nccn1CC(F)(F)F 728698796 PBWDADIEZULQHG-IAROGAJJSA-N 475.418 5.036 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCCC#N 728776188 MIKYHFCLRCZCKO-FQEVSTJZSA-N 452.555 5.097 30 20 JKED COc1ccc2oc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4F)n3)c(C)c2c1 729149943 GZWXEVGFBBXQCH-YVMONPNESA-N 468.481 6.065 30 20 JKED CCCCc1ccc(N/C(S)=C(/C(=O)c2cc(C(=O)OC)co2)[n+]2ccc3c(c2)CCCC3)cc1 729670123 MMOCPBUQECPFPB-UHFFFAOYSA-O 491.633 5.626 30 20 JKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2c1 730447843 TVMWJRYNPPVMCE-UHFFFAOYSA-N 494.605 5.873 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(C2CCC2)C1=O 730459483 JVCQYCOASCOPJE-QFIPXVFZSA-N 451.592 5.331 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CCC2)cc1Cl 730462949 QYWIOHHNVLOSCT-IBGZPJMESA-N 473.385 5.378 30 20 JKED CCc1cccc(C)c1NC(=S)NN=Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 730574835 AIGABYQYQLWCNM-UHFFFAOYSA-N 473.574 5.297 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)n1 730692404 XTPDMCQCVVBUBI-FOIQADDNSA-N 458.898 5.109 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1CC(F)(F)F 730723385 FTCVBQRGTBDGGK-KRWDZBQOSA-N 493.555 5.246 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731068991 KNMNXXVEGCXTRG-MRXNPFEDSA-N 465.600 5.232 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 731070491 MLVVOWMWAOLSDF-HNNXBMFYSA-N 488.491 5.081 30 20 JKED Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3S[C@H](C)CC#N)c3ccccc3C2=O)cc1 731338722 GSGFLEBKKJOSGR-URPBSQGJSA-N 453.567 6.029 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nnn1-c1ccc(OC(C)C)cc1 731410489 JNRXDKURCJEQQI-QHCPKHFHSA-N 495.539 5.116 30 20 JKED N#CCCN(C(=O)COC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ccccc1 744605042 PFZOOBUAFLSNAC-UHFFFAOYSA-N 460.342 5.221 30 20 JKED N#CC1CCN(CN2C(=S)N(c3ccccc3F)C(=O)/C2=C/c2ccc(Cl)c(Cl)c2)CC1 747078794 DXUPLOPEFWQHFD-MTJSOVHGSA-N 489.403 5.300 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cscn3)C2=O)c1 747603327 SMHAIHSXQACWNU-OAQYLSRUSA-N 464.616 5.229 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2cccc(C)c2)n1 748036786 QYNULWYIEOZDQA-HSZRJFAPSA-N 488.613 5.176 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc(Cl)cc1Cl 771647356 KSKNXSUGWXCUEA-UHFFFAOYSA-N 462.406 5.235 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CC)C1=O 799218686 IXYKFALJALDORD-LJQANCHMSA-N 477.533 5.057 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccs1 837301057 FSQRSTCUENCBJS-FQEVSTJZSA-N 453.564 5.356 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 837743704 FNMOLVOCOWDBTR-QVKFZJNVSA-N 466.513 5.081 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1 837838462 CWDFWAYZKDSEJS-HXUWFJFHSA-N 453.564 5.356 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 838094950 UURVHZRZZQHCIQ-NTKDMRAZSA-N 488.613 5.510 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCN(C(C)C)CC1 838191774 HNPPUMVVLVECRX-XMMPIXPASA-N 496.652 5.221 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1 839414183 HICDYIIBSKEQNF-UHFFFAOYSA-N 454.939 5.340 30 20 JKED O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 888526341 ITKRUKFJRGNJBW-UHFFFAOYSA-N 462.281 5.210 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 915100247 NICMHBKUPJDNDI-YWZLYKJASA-N 453.976 5.451 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 915103160 PXHPXIOEYANIOD-INIZCTEOSA-N 461.370 5.943 30 20 JKED C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12)c1ccc(C#N)cc1 915678414 LWTGMFGTCMOCBG-DFBJGRDBSA-N 451.574 5.298 30 20 JKED N#Cc1cccc(COc2cccc(/C=C3\SC(=S)N(c4cccc(C(=O)O)c4)C3=O)c2)c1 915984243 DPUHKHFPZRVBFU-UUYOSTAYSA-N 472.547 5.241 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccn2)C1=O)Nc1ccccc1F 916209289 ITRVAQQCTCTLJU-FQEVSTJZSA-N 468.941 5.035 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@@H]2CCCO2)cc1 916213479 DTEDBDXPZWPJSH-GMAHTHKFSA-N 465.619 5.005 30 20 JKED N#C[C@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 916628329 ROGRYYKIBORQJI-QGZVFWFLSA-N 452.923 5.462 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Br)c(OCC)c(OC)c2)cc1 916914773 USYYIQMWAJZYRA-SFHVURJKSA-N 473.367 5.160 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916916444 SXPNOBQIACAOBE-FQEVSTJZSA-N 459.502 5.284 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OCC 916919611 YMSWHOFCRVQJMY-FQEVSTJZSA-N 464.949 6.032 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916940706 WDKANRXQTGYVES-LJQANCHMSA-N 478.936 5.380 30 20 JKED N#C[C@H](C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997524 VMKQKRWNGAWSQK-QGZVFWFLSA-N 475.357 6.094 30 20 JKED N#C[C@H](C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)c1nc2ccccc2n1C(F)F 917040318 LBXQIMBEUDZTBZ-UOBPLZBXSA-N 487.495 5.021 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C 917507223 RRBSHAGBKROFEZ-KRWDZBQOSA-N 499.976 5.011 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(C(C)C)cc2)n1 917666397 ZQBKUQKHYXJLQZ-QHCPKHFHSA-N 491.592 5.208 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 920106263 WBANZUHCQGUDMG-DKRLNXSXSA-N 464.365 6.119 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920142538 QLEBOIANRBDUKB-FQEVSTJZSA-N 458.543 5.448 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc(-c2ccncc2)cs1 920266854 ACAWCJPTLDNVJS-YKSBVNFPSA-N 476.561 5.006 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805581 DLKAPJWRRGLHDW-ZYHUDNBSSA-N 481.293 5.634 30 20 JKED N#CCCN(C(=O)COC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)c1ccccc1 920912518 MPSFCKMFBZYXSO-UHFFFAOYSA-N 470.312 5.284 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(Br)c3c(c2)OCCO3)cc1 921114054 QDHNEGMEBDGMIY-FQEVSTJZSA-N 478.346 5.197 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCCC#C[Si](C)(C)C)C2)CC1 1779353717 DTBAAMCHHNKQRM-UFHPHHKVSA-N 488.789 5.158 30 20 JKED COc1ncc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1785782131 IALKEKLBRWQUPU-UHFFFAOYSA-N 495.366 5.330 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CCC3)cc2)C1 1785806659 KGWLFKMHQWULIH-OAQYLSRUSA-N 469.626 5.026 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)cc2)CCC1)C(F)(F)F 1787155519 MLZPIPLBLWADJG-UHFFFAOYSA-N 490.432 5.221 30 20 JKED COc1cccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)/C=C/C(=O)c5cccs5)cc4)CCC3)c12 1788650009 OYDCCGNHPLMFOK-OUKQBFOZSA-N 499.592 5.425 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)c1 1789370851 GAYGPOKLOBERIL-UHFFFAOYSA-N 458.518 5.302 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4ccccc4)CCC3)cc2)c1 1790144695 BTCFOGSHECKLFE-UHFFFAOYSA-N 461.525 5.010 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3-c3ccc(C)cc3)[C@H]2C1 1790180031 QLQZKNPWMRWRQK-WIRXVTQYSA-N 472.629 5.024 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)c(Cl)c3)CCC2)cc1)C(F)(F)F 1791302456 LDRITJSMDQWUIV-UHFFFAOYSA-N 458.267 5.255 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CSc3ccc(F)cc3F)CCC2)cc1)C(F)(F)F 1791303261 OSRTYMOVONHVMS-UHFFFAOYSA-N 470.463 5.310 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCC2)cc1 1791575610 OIXWRNVKLZHNQW-HNNXBMFYSA-N 454.979 5.666 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCc5ccccc54)cc3)CCC2)c1 1791690190 MLIJTFHPFQPIMK-AREMUKBSSA-N 465.553 5.045 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5o4)CCC3)cc2)cc1C#N 1792168911 NDABSABGMIUPTL-UHFFFAOYSA-N 494.551 5.548 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccc(Br)cc4)CCC3)cc2)CCC1 1792232724 JUWCNQONESAJST-VXKWHMMOSA-N 492.417 5.381 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)cc2)CCC1 1792332861 GWBZINSHRPFADL-GHTZIAJQSA-N 457.615 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cccc(Br)c3n1)C2 1792572700 QSKLZEWVXJPVGC-REPLKXPHSA-N 484.438 5.242 30 20 JKED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)c(F)c1CSc1ccccc1)C2 1792706505 NUSROLUVKZKXEQ-BCDXTJNWSA-N 483.584 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)ccc2s1 1798080228 JNNWQPRMDROIDJ-IYWMVGAKSA-N 487.463 5.684 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccc(Br)cc2n1 1798191980 XFJZKLUOIGFFGB-PLACYPQZSA-N 482.422 5.018 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1798405454 SXBPAMLZFGQLSZ-IODBPXAYSA-N 495.664 5.544 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)[C@@H]1c1cccnc1 1802496655 RHVVTPCQVILJKL-WIOPSUGQSA-N 472.589 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)s2)[C@H]1c1cccnc1 1804466550 GNHWVFLVEJFZBG-ZJSXRUAMSA-N 453.652 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CSc2ccc(C)cc2)[C@H]1c1cccnc1 1809476177 YXXRXVGLMZEPHH-WIOPSUGQSA-N 465.663 5.181 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)C1 1809511070 IQGKPXHOJQRDCQ-UHFFFAOYSA-N 466.585 5.050 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1810171085 CQPQAWOVRJNKHO-KSCZAHEDSA-N 469.585 5.315 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1810176240 VPDMPGBNQOPKKL-YYGZZXRFSA-N 459.634 5.296 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(C)c3[nH]2)[C@H]1c1cccnc1 1810498699 PDGIRODMDKZAHK-RDGATRHJSA-N 458.606 5.183 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@H]1c1cccnc1 1810511047 VHEGUHUZCFZGRS-BHBYDHKZSA-N 497.614 5.325 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1811996472 BDUCQOIHHIPCCL-DCLXLUIPSA-N 486.443 5.785 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302957 MHTUDXCLKLKGFU-SXDGJLEOSA-N 493.607 6.069 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1812668844 XTKDDIFTNISBSP-WMZHIEFXSA-N 499.945 5.526 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@]2(C)CC=CCC2)[C@H]1c1cccnc1)c1ccccc1 1813579942 BPMDYJCXGQOJPU-BXAWWBQVSA-N 469.629 5.031 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1 1815207707 IRIKZXHWSDKYKD-HSZRJFAPSA-N 484.666 5.017 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815533218 GSPXGFKKARNYRN-YXBWYFRISA-N 478.540 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)noc2C)n[nH]1 1816335732 JJQWXPPCOZNMLH-OAQYLSRUSA-N 475.593 5.671 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)c(Cl)c1 1817496232 YMJZGZMMVKZSAT-JCOOBLOPSA-N 465.966 5.016 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818604952 IGRLJEMQJFETMN-JTSKRJEESA-N 477.996 5.686 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)[nH]n1 1819307016 LVWDNUCWRBHGQX-YOEHRIQHSA-N 462.381 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1819309142 NCFLZYXUVAWNLP-ICSRJNTNSA-N 469.655 5.673 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nccc3occc23)[nH]n1)c1ccccc1 1819518435 PXMJXCVSODPGGM-OFNKIYASSA-N 481.556 5.054 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)[nH]n2)c1Cl 1820217413 JIIYSKWJNFPKDX-SFHVURJKSA-N 475.927 5.066 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820228949 FEUHSADJBSMZPI-SFHVURJKSA-N 458.971 5.034 30 20 JKED CCSc1cccnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1820398631 LFMJLAOINVLYAG-IBGZPJMESA-N 495.008 5.061 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434381 ASKHRNABOKHFGN-URXFXBBRSA-N 478.618 5.462 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)[nH]n2)cc1 1820548344 BCFBKMVSINMNDI-QHCPKHFHSA-N 484.947 5.103 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)ON=C(C)C)n[nH]1)c1ccccc1 1820968495 TXFQQKJELICJAW-ZFMISHDWSA-N 467.614 5.033 30 20 JKED C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)Oc1ccccc1 1821785043 XVQCZPKVPCSYJJ-VGSWGCGISA-N 491.979 5.098 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1821920039 GLDLRSXGJVJZFT-OXQOHEQNSA-N 466.969 5.841 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2C)[nH]n1 1822393230 NRCFGWMUYZJXSB-IBGZPJMESA-N 491.817 5.243 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1823132585 JNSCFDXIYCESAB-NRFANRHFSA-N 498.370 5.216 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4nscc34)[nH]n2)c1 1823216252 FEQSSUJNLWNXNA-QMHKHESXSA-N 484.585 5.266 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)ccc(Cl)c3F)n[nH]2)c1 1823273770 CGHJKPVQTLBYPR-JLTOFOAXSA-N 497.933 5.588 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)CC1 1823887226 CANCJXXMWILPIP-LJQANCHMSA-N 485.934 5.022 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)c1 1823973693 HIQWVQJRDBXUJL-AFMDSPMNSA-N 494.035 5.257 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)CC2)cc1 1824000399 GGCHJMULDPVATF-MUUNZHRXSA-N 483.656 5.498 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1824513300 YRHBVGUXTQCXEN-IIBYNOLFSA-N 486.962 5.183 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1824540647 MTXMLIVGBCTHOA-RDGATRHJSA-N 494.661 5.011 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1824827623 GNRWMCSLHXKHMZ-VHYCJAOWSA-N 489.582 5.355 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc4c3CCCO4)CC2)c1Cl 1827384850 RTEIWXOYBPYYGT-QFIPXVFZSA-N 498.048 5.145 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827792619 DOHQGAMKNQNKND-QHCPKHFHSA-N 467.560 5.193 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1828351891 IAJBPJSPRAHTSR-LOSJGSFVSA-N 456.747 5.404 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)cc12 1828574906 FGZRPOSHFBUXPT-MUUNZHRXSA-N 482.628 5.214 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828828442 KJTKHYZEMQSPPO-AZGAKELHSA-N 462.634 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1828831577 VZMCEZKKDMZLTE-DNQXCXABSA-N 466.622 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)n2C)CC1 1829066842 WKEHNKPTXWATEU-IBGZPJMESA-N 467.576 5.270 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1829372073 XMYXYQXMIRTYJB-NTKDMRAZSA-N 483.056 5.186 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c(C)c1 1829950888 PVBUYPNNPBLROP-BREAQWACSA-N 464.631 5.037 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)CC1 1830086786 ASACQRWTFGDSER-DEOSSOPVSA-N 474.668 5.249 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2F)CC1 1830546308 ZPRGINWZICIMQJ-QVKFZJNVSA-N 483.397 5.173 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 1830628903 OPKCQPHNYVEIGD-DEOSSOPVSA-N 455.558 5.046 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)c(C)o1 1830685629 SQAKHSAEESXWCA-QHCPKHFHSA-N 498.421 5.078 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c1 1830769191 JMSSYGQEFYVZQU-DEOSSOPVSA-N 472.614 5.024 30 20 JKED Cc1cc(C)n2ccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2n1 1831052763 IPDHGOTVXWOGSC-DCFHFQCYSA-N 497.643 5.125 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1831225447 NVPQWGRGPFZTSI-AZGAKELHSA-N 490.047 5.104 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1831746855 KGYMNPRFVNDOFE-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564913 QUULRMVMLKCYTD-LAUBAEHRSA-N 482.452 5.336 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1832633137 CMPWPXRFJLZUIE-UZTOHYMASA-N 486.591 5.481 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3OC(F)F)CC2)c1 1832677727 QOQZUEIWRUOFTI-QHCPKHFHSA-N 481.543 5.015 30 20 JKED CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703348 ZMMHBHFGBPYGHF-RDPSFJRHSA-N 453.627 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832729239 RKTOULOPIFEUFW-AZGAKELHSA-N 482.640 5.616 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)cc(Br)c3)CC2)CCC1 1832786215 CBOZPNCZNPWZIR-FQEVSTJZSA-N 492.845 5.030 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1832828558 LSDNJYKMTIOFNX-XMMPIXPASA-N 457.574 5.075 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1832897924 NJBGJQGDJIITHH-DFBJGRDBSA-N 464.009 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(C)(C)C)s3)CC2)CC1 1838162474 OHMCKGQMASBYIP-JOCHJYFZSA-N 472.695 5.426 30 20 JKED CC(C)[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)cc1Cl)C2)c1ccc(Cl)cc1 1841417201 NENBEYYVRLFTNO-QFIPXVFZSA-N 470.400 5.122 30 20 JKED COc1ccc(/C=C2\N=C(SCc3cccc(C#N)c3)N(c3cccc(OC)c3)C2=O)cc1 9639994 CWXCWKNDZQSPKA-OYKKKHCWSA-N 455.539 5.253 30 20 JKED C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)Nc1ccccc1C#N 10142916 RLOLHJIMVOZPPE-KRWDZBQOSA-N 457.534 5.123 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(Br)cc2Cl)n1 10686471 SUVIGGKUOGMPSJ-UHFFFAOYSA-N 464.694 5.427 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nnc(-c2ccc(Br)o2)o1 11460097 XLCZRGPRJYJYHS-UHFFFAOYSA-N 482.315 5.472 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 20864911 QNJUDQYEJGJYSW-DTQAZKPQSA-N 469.522 5.433 30 20 JKED N#CCCN(C(=O)COC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 21801902 OZXZDKQBEIQHQE-UHFFFAOYSA-N 472.328 5.071 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22803249 TYTIDOJNSAUEGR-UHFFFAOYSA-O 477.650 5.060 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nc2sc3c(c2c1=O)CCC3 23405330 BWJRHMPEBSYFQR-OAHLLOKOSA-N 467.660 5.377 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccc(F)cc1 24014727 OGMUVHVECSDZAV-OAHLLOKOSA-N 495.605 5.522 30 20 JKED CCc1c(C)sc2nc(S[C@H](C#N)Cc3ccc(C)cc3)n(C[C@@H]3CCCO3)c(=O)c12 24840415 IKFYQTPBCHJWDK-OALUTQOASA-N 453.633 5.043 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1ccc(F)cc1 29845902 YKTMYAGUISTYGU-XMMPIXPASA-N 488.588 6.059 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2)ccc1Cl 32516803 RYLYANFXBRGGAC-UHFFFAOYSA-N 475.397 5.651 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1 57358991 QZIQXTYDWZJXLW-UHFFFAOYSA-N 462.905 5.252 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 108370589 HQXTVOFITAHVPJ-UHFFFAOYSA-N 472.932 5.606 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1F 195677230 OOGDIIWEFDMBRE-INIZCTEOSA-N 450.539 5.328 30 20 JKED C=CCOc1c(Br)cc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)cc1OC 214375130 YQXVCFZFHOUYKQ-DHDCSXOGSA-N 473.392 5.355 30 20 JKED C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2Cc2ccco2)c1C 255934473 RQAJGPYFIYNHKP-UHFFFAOYSA-N 462.575 5.174 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1 303002867 NFEYWEDXBSUJBI-UHFFFAOYSA-N 468.479 5.266 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 303029484 NMPOSKKOYQQKSR-UHFFFAOYSA-N 474.458 5.935 30 20 JKED Cc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)sc2nc3n(c(=O)c12)CCCCC3 303122115 AJQZTOWSWNWXRV-JOCHJYFZSA-N 498.608 5.067 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)c2)cc1 303129175 AWJJCMKKEZZSNT-UHFFFAOYSA-N 480.351 5.256 30 20 JKED COc1ccc(O[C@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487296485 YTAFPOBHHLYZIG-CYBMUJFWSA-N 461.465 5.039 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)COc3ccc(Br)cc3Cl)s2)cc1 487390605 RCWJMLNQDBBMBD-UHFFFAOYSA-N 462.756 5.039 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC(OC4CCCCC4)CC3)c2)c1 498003057 QGTLCWWAVRBHOX-UHFFFAOYSA-N 460.574 5.219 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 499270144 HBOWTBZYQXQOLS-UHFFFAOYSA-N 473.458 5.211 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 500092557 OIFBMMGXMDDQCD-UHFFFAOYSA-N 480.399 5.133 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)o1 500970011 WZEZGNHNSGBHRV-SFHVURJKSA-N 452.894 5.194 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 505616696 BPSQZVTVANPPSZ-UHFFFAOYSA-N 491.551 6.006 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 507786216 WWXZGIMKRSIQLP-UHFFFAOYSA-N 454.983 6.020 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 507813274 QQAFCJIECODAEJ-IBGZPJMESA-N 486.572 5.280 30 20 JKED COc1ccccc1NC(=O)c1cc(SC[C@H](O)COc2ccc(CC#N)cc2)nc2ccccc12 508504157 MGJQJGUAURPVLB-HXUWFJFHSA-N 499.592 5.094 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1 510577561 HRHALMGXFKEGAN-UHFFFAOYSA-N 461.565 6.681 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 511547609 PTMONPOEPFLHPQ-UHFFFAOYSA-N 491.432 5.564 30 20 JKED CC(C)N(Cc1cccc(Cl)c1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 512277500 GTMOBVIZQNDTCK-UHFFFAOYSA-N 452.942 5.113 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC 512998597 LJDWSBSQUUBUPI-UHFFFAOYSA-N 475.520 5.184 30 20 JKED C[C@@H](Sc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1)C(=O)N(C)CCC#N 513281359 OFQGKVVYUKNUGG-GOSISDBHSA-N 488.638 5.026 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1nc2ccccc2s1 513670872 CRFCJXGKSNVZOW-SFHVURJKSA-N 476.355 5.801 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 517283144 QHXWLNARJTYUEX-UHFFFAOYSA-N 481.474 5.111 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)cc2Cl)cc1 517296155 GBCVGJYAHTXOHB-FQEVSTJZSA-N 487.865 5.752 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1S[C@@H](C)CC#N 518256211 QFBWRXBDLLBXTO-INIZCTEOSA-N 469.998 6.228 30 20 JKED C=CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 519507365 VDYYXZQZEFZSGI-ZDUSSCGKSA-N 469.389 5.089 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1C 520940297 MDKUWYQBKAGSQE-UHFFFAOYSA-N 499.615 5.499 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 521247535 SAAAUIWYBLUHEM-KRWDZBQOSA-N 470.516 6.283 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 521260996 LLDNEJYAYJWJOW-WBVHZDCISA-N 459.413 5.101 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc(-c3ccccc3)nc21 521554405 VQDFTUYQTFAPGI-OAQYLSRUSA-N 463.566 6.293 30 20 JKED C=CCOc1ccccc1C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 588924499 WSLDNBYWPFZXKJ-QHCPKHFHSA-N 456.542 5.312 30 20 JKED CCOc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 603501156 YYGLWCXMJXXYRP-QFIPXVFZSA-N 454.530 5.400 30 20 JKED COc1cc(CN(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OCc1ccccc1 603648293 FQCKKBFUXNNDCT-UHFFFAOYSA-N 498.608 5.857 30 20 JKED CN(C(=O)CSCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCCCC1 603758674 AJBZLCPKSHEONU-JOCHJYFZSA-N 470.038 5.458 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c1C 603895069 MBLKARSTQLIJCK-UHFFFAOYSA-N 494.064 6.369 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)cc1 604248849 MEDFLWQECFGIFS-UHFFFAOYSA-N 469.394 5.406 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cn2)cc1 604288621 IWYQVNJDYVBBHH-OKILXGFUSA-N 458.362 5.340 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 604465835 AJWZBWNMHDXTBN-HXUWFJFHSA-N 475.376 5.279 30 20 JKED CCN(Cc1c(F)cccc1F)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 608797172 LGTYUQRFMCTWCF-LJQANCHMSA-N 467.903 5.261 30 20 JKED C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)C[C@@H](C)O1 609104774 OHAYGOINLKDXDR-WOJBJXKFSA-N 473.548 5.138 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1Cl 609163868 BDQCIDOKWZSMQZ-WOJBJXKFSA-N 465.887 5.265 30 20 JKED Cc1noc(CSc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n1 613319558 GSRFPFQAHTXLQV-SFHVURJKSA-N 466.975 5.937 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc2ccccc2n1C(F)F 613404133 NQPVFDHYVASOCR-MRXNPFEDSA-N 486.272 5.856 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(Cl)cc1 617896218 NAKGXFNXPCXCFV-SFHVURJKSA-N 493.036 5.706 30 20 JKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 622478233 YKWZFVYKKQXEGA-QGZVFWFLSA-N 463.397 5.266 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)CCCc2cc(-c3ccc(F)cc3)no2)c1=S 725786965 QAEJCWQRCJMKMH-UHFFFAOYSA-N 481.572 5.722 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1NC(C)=O 726428788 PQBFVOXULXVUJW-YFHOEESVSA-N 466.877 5.904 30 20 JKED N#CCCN(C(=O)COC(=O)c1csc(-c2ccccc2Cl)n1)c1cccc(Cl)c1 727564583 VOQJNNUCKXQWLH-UHFFFAOYSA-N 460.342 5.221 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 728148063 VEXPCULVYLWJBJ-XMMPIXPASA-N 499.998 6.022 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1 728181462 JJYMLOOLZQMROE-UHFFFAOYSA-N 457.580 5.214 30 20 JKED Cc1cc(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)c(C)n1-c1ccc(C#N)cc1 728274253 QRTZNLQWBFXPBM-UHFFFAOYSA-N 469.589 5.033 30 20 JKED Cc1nc(/C=C/c2ccc(O[C@H](C)C#N)cc2)sc1C(=O)/C=C/c1ccc(O[C@H](C)C#N)cc1 728698139 DVEHIZJWKSEKCN-YDVXWVSRSA-N 469.566 6.100 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 728777494 KZEXUDCZCZNHFW-LJQANCHMSA-N 458.946 5.133 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCCC#N 728779537 JPAHWZOOFOZZMY-NRFANRHFSA-N 452.555 5.042 30 20 JKED C#Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 728800865 GRDFERUNKAYCQV-QGZVFWFLSA-N 458.370 5.319 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccc3c(c2)CCCC3)c1 729668823 PTCZSSWEKQRAQJ-UHFFFAOYSA-O 498.024 5.554 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(F)cc2)c(F)c1 729818753 GKKSNONVYCQGIZ-QFIPXVFZSA-N 494.498 5.136 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O)Nc1ccccc1 730460191 UXRVOEKCEQLXSF-SFHVURJKSA-N 461.559 5.514 30 20 JKED COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccccc1SC[C@H](C)C#N 730997714 RFIXZOZFTMMKJK-LLVKDONJSA-N 475.817 5.164 30 20 JKED N#CCOc1ccc(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)cc1 731158722 HCAOKUMDQXDATI-UHFFFAOYSA-N 481.375 5.544 30 20 JKED CN1/C(=C/C(=O)COC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)C(C)(C)c2ccccc21 732660634 CXFOAJCATLEGPC-TURZUDJPSA-N 496.607 5.116 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC2CCN(CC3CCCCC3)CC2)c1 744029393 VYFNEUBITOOZGJ-UHFFFAOYSA-N 490.673 5.064 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c(C)c1 746696828 VTAMQNLXDWBQJZ-NRFANRHFSA-N 471.598 5.218 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 746698169 WIZGIIYQXVQXFM-OAQYLSRUSA-N 492.016 5.565 30 20 JKED COc1cc(C(=O)/C=C\c2csc(-c3ccc(Cl)cc3)n2)ccc1S(=O)(=O)C(F)F 747065979 GZODGHRPSYCHAF-FPLPWBNLSA-N 469.918 5.365 30 20 JKED COc1cc(C(=O)/C=C\c2c(OC(F)F)ccc3ccccc23)ccc1S(=O)(=O)C(F)F 747065983 HJCXYTFCUPQHBT-HJWRWDBZSA-N 468.424 5.342 30 20 JKED CCn1c(-c2cc(-c3ccc(C)cc3)nc3ccccc23)nn(CN2CCC(C#N)CC2)c1=S 747079259 WJXDYQVJWIUATB-UHFFFAOYSA-N 468.630 5.818 30 20 JKED COc1ccc(/C=C(\Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)cc1OCCCC#N 747361663 VBXFDELBESPWDQ-PDGQHHTCSA-N 495.963 6.219 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cscn2)C1=O)Nc1ccccc1 747603373 UOHAQOPEEYYWQM-QFIPXVFZSA-N 472.595 5.457 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccccc1 750388045 BIKOFJIBYUOCHH-OXJNMPFZSA-N 471.586 5.390 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccn(-c3ccccc3)n2)C1=O)Nc1ccccc1 750917956 ZLWVVKJGJMAPAR-RUZDIDTESA-N 495.608 5.075 30 20 JKED Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1ccccc1SCC#N 752630671 UMQKPEDETARVHU-UHFFFAOYSA-N 498.684 5.064 30 20 JKED Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)s1 762476927 QUOOYUCWLRUAPE-UHFFFAOYSA-N 484.581 5.252 30 20 JKED COc1ccc(/C=C2\N=C(SCCCCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 779892451 YBHDYLSGPFUIPU-HKWRFOASSA-N 457.502 5.467 30 20 JKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C=C\c1ccccc1C#N 799827940 PFVXNODIUSTZNA-PFONDFGASA-N 455.514 5.260 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N([C@H](C)c2ccccn2)C1=O 837299459 ISKMQRMCXIOJQP-WZONZLPQSA-N 474.586 5.120 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 837386827 CDJGBAJUIZRJKP-MHECFPHRSA-N 486.597 5.314 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 837397781 AZIXRRREZGBXGV-HYBUGGRVSA-N 472.614 5.728 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCN(C(C)C)CC2)c1 837399229 UZTAPLVQXSKXMS-RUZDIDTESA-N 492.689 5.445 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 837531236 DULDEWLXOQKLRV-IIBYNOLFSA-N 498.530 5.822 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 837672554 GOZWXYFAGWWGAX-HRAATJIYSA-N 496.539 5.405 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3ccccn3)C2=O)c1 837712828 DBRDCMPTVGRFDJ-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 914521722 ZWKMPLJSEKSSMF-RAXLEYEMSA-N 481.571 5.491 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)n2)cc1 915100548 USBVIARFKYYYLN-GOSISDBHSA-N 474.611 5.035 30 20 JKED Cc1ccc(C(=O)N[C@H](C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C(C)C)cc1 915103818 GHFCWKLCVDSOKU-APWZRJJASA-N 459.493 5.254 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1 915179848 JBKSSNBFTWZBGN-DEOSSOPVSA-N 457.986 6.224 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1 916051019 JRRAWRNBKXTGGE-HSZRJFAPSA-N 457.331 5.543 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)/C=C/c3cnc4ccccc4n3)s2)c(C(F)(F)F)c1 916055192 HAPQLYBSXFIAOU-BQYQJAHWSA-N 465.460 5.219 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1F 916205550 PLDNVYYBVBOPRB-HXUWFJFHSA-N 486.931 5.174 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1C=Nn1c(S)nnc1COc1ccc(C(C)(C)C)cc1 916321388 XMFIYTWXOZQOPX-UHFFFAOYSA-N 460.607 5.128 30 20 JKED COc1ccc(-n2c(SCC(=O)[C@H](C#N)c3ccccc3)nnc2-c2ccccc2Cl)cc1 916622677 GJFFXYCBUPARIL-OAQYLSRUSA-N 474.973 5.565 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847178 MZBRCFIFQMUQFQ-MRXNPFEDSA-N 464.547 5.113 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC 916883548 MBZWGDPXIOZCSO-OAHLLOKOSA-N 468.909 5.413 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 916887005 LMSJJAHTCGGOKT-NRFANRHFSA-N 466.509 5.318 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)c1 916890593 NSEVATWORQJNQR-HSZRJFAPSA-N 473.479 5.402 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1-c1cccc(Cl)c1 916906123 BVJCWVZHXWPBTA-NRFANRHFSA-N 470.916 5.588 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1OC 916906554 DKJSRDCMDQQXCH-LJQANCHMSA-N 499.548 5.581 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916916340 RXWVCFNNVLKJPO-HXUWFJFHSA-N 475.957 5.798 30 20 JKED CC[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1)n1nnc(-c2ccc(Cl)cc2)n1 916975322 XQLREOFKYFARDU-UYAOXDASSA-N 462.966 5.253 30 20 JKED CC(C)n1ncc2cc(/C=C/C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)[nH]c21 917029917 CSEZSOAYVQBPRW-ASZCXJMUSA-N 487.629 5.119 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc2cc(C(F)(F)F)ccc2s1 917043687 NNLNTNZUTQXNIV-HNNXBMFYSA-N 461.465 5.997 30 20 JKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047440 XBYHUGOKNJDYSJ-SJLPKXTDSA-N 460.386 5.624 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2cccc(Br)c2)c1=S 917482235 IBDXFPAXJOYZIN-IBGZPJMESA-N 456.413 5.219 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3F)s2)cs1 917559727 CCLLRXFIUMSRDT-XFXZXTDPSA-N 462.571 6.900 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnn1-c1cccc(Br)c1 917668561 BUWGBLYDXIPWEI-JOCHJYFZSA-N 472.346 5.246 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC2CCC2)C1=O 917704748 YKKVQVKBRJFTCT-OAQYLSRUSA-N 466.994 5.281 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 920106673 WMLUAVXJWRXBHJ-GOSISDBHSA-N 477.977 5.092 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)[C@@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)nc(O)c23)C1 920140756 JLWZGWMWUHKTFU-KBXCAEBGSA-N 499.621 5.326 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)F)cc2)s1 920171356 UUNDTKQIMKJLLI-FZKQIMNGSA-N 479.574 5.019 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n1 920326380 DYSCWFXJPQDXJZ-LJQANCHMSA-N 479.508 5.555 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cc(C)on3)C2=O)cc1 920355027 HBAWHQUWLAWCHF-OAQYLSRUSA-N 498.992 5.196 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)cs1 920367720 OLVHXRSNWOKVPZ-PJIJBLCYSA-N 497.612 5.469 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc(Br)c2)cs1 920369801 AUYYXXUPVNTXSA-UHFFFAOYSA-N 483.313 6.055 30 20 JKED C=CCN(C(=O)c1ccc(CNC(=O)C=C)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 921149570 UZBKNEAEDUKWAB-UHFFFAOYSA-N 479.605 6.112 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1C 921248890 QYDBAMUFWJNMIF-UHFFFAOYSA-N 499.712 5.726 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786574471 QMZPTCKBBVICFE-SIBVEZHUSA-N 469.626 5.122 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789198796 CHHFIYMUJSKPDC-QFIPXVFZSA-N 495.664 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)CCC2)cc1 1789455615 YLFRRRALYXBEMS-YOZPAVSOSA-N 493.648 5.358 30 20 JKED Cn1ncc2cc(C(=O)NC3(c4ccc(NC(=O)CCCC#C[Si](C)(C)C)cc4)CCC3)ccc21 1789508176 UEKFMAUIBCQSFI-UHFFFAOYSA-N 486.692 5.372 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)CCC2)cc1 1789624044 CYOOCYAIGXSGIA-NRFANRHFSA-N 469.626 5.122 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5ccccc45)CCC3)cc2)c1 1790073047 JEGYAAAJWQDJLN-UHFFFAOYSA-N 476.536 5.177 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccs3)CCC2)cc1 1790519590 OXDLYFNIWMSTFV-QFIPXVFZSA-N 497.661 5.284 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cn4cnc5ccccc54)cc3)CCC2)c1Cl 1791508713 BXEHBSPQKNWQQS-UHFFFAOYSA-N 483.959 5.009 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)CCC2)cc1 1791589226 MRZNCIFZRBXZJG-XMMPIXPASA-N 489.616 5.059 30 20 JKED CCc1[nH]nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1Cl 1792123979 WPAUXQSDCDLNAS-MRXNPFEDSA-N 475.980 5.314 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCC[C@@H]4NC(=O)OC(C)(C)C)cc3)CCC2)C1 1792209659 QELXFCVHAMZVMC-PKTZIBPZSA-N 481.637 5.170 30 20 JKED Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792231435 XUIXADXCEHFNOX-UHFFFAOYSA-N 487.991 5.182 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3sccc3F)CCC2)cc1 1792336953 ZLJKEAKWGIUKHP-AKJBCIBTSA-N 499.608 5.104 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1Cl)C2)c1ccccc1 1795572911 IXLZZECNBSFXEC-JKEOVDNKSA-N 464.009 5.293 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cncc3s2)c(Cl)c1 1796372978 DOGUSRONEXJPCM-QDMKHBRRSA-N 485.396 5.040 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)C(F)(F)F 1799296243 UYTWAIIFUHWGEU-BJWYYQGGSA-N 491.941 5.137 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1 1799325507 VXBGBLUCAPOEKM-ACDBMABISA-N 467.352 5.043 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCCc4c2[nH]c2ccc(Cl)cc42)C3)cc1 1799669553 YVXNVVHXLGJNMY-ADYITMSISA-N 487.003 5.065 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccccc2c1Br 1801097913 BAXOAHLCGBLOJR-BJWYYQGGSA-N 477.349 5.066 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1802503768 UERPNHFKNGWJIQ-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2c(F)cccc2Cl)[C@H]1c1cccnc1 1802851427 IDRRIQYGZMPSSW-YADARESESA-N 472.004 5.115 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1803083922 KPCHHOBKJZDBIC-UKILVPOCSA-N 486.641 5.293 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1803089614 CJIKXUKAENVUTO-GJZUVCINSA-N 489.019 5.371 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1803092641 ZHGRAFRHSMOFDG-AOYPEHQESA-N 475.633 5.347 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)CCCc4ccc(C(F)(F)F)cc4)CC3)C2)C1 1804777267 VFNOIFQHCIZYSI-UHFFFAOYSA-N 462.556 5.226 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3CCCN(Cc4ccccc4)C3)CC2)C1 1804859980 ULTAQMQEQMYOPF-AREMUKBSSA-N 479.709 5.122 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 1806067057 FTTICKWXUALWCR-SFHVURJKSA-N 476.992 5.158 30 20 JKED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1806870266 YALCRNZEODQMGQ-WNJJXGMVSA-N 474.649 5.365 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1807843223 HRSGRZKKNQUBQX-UFHPHHKVSA-N 496.655 5.764 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1807967867 YPRMDMWFJTYSTQ-NQIIRXRSSA-N 482.675 5.373 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)[C@H]1c1cccnc1 1810171031 CFRBEERAENYTOB-LGVFNWMJSA-N 465.663 5.529 30 20 JKED Cc1cccc(CCC(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810273640 FEVCTRJMMGXKFA-WNJJXGMVSA-N 489.736 5.080 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1811058168 MCQKASMNUKKLRQ-UPVQGACJSA-N 488.657 5.517 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2OCc2ccccc2)[C@@H]1c1cccnc1 1811439332 WKHFBQFEBGXQJH-NVQXNPDNSA-N 490.003 5.210 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811540032 YCSMUKQTCYTMIG-YZNIXAGQSA-N 479.624 5.570 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1811714174 ZEKHQMNUJWZNGF-AUSIDOKSSA-N 472.416 5.476 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1811953679 XHRKYCDOPNHRHQ-HNVPCBRESA-N 479.596 5.096 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1812259584 ISXKOAYGKPRZGG-NBGIEHNGSA-N 491.035 5.595 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@H]1c1cccnc1 1812955053 DEVSCCJYKBOVQY-TVNLQBFESA-N 485.550 5.211 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3csc4c3CCCC4)[C@@H]2c2cccnc2)c1 1813865208 CNEZSKGCBYQFGF-AUZMWRNASA-N 498.652 5.282 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)ccc2n1 1814738769 NDXXNMTYSKTPSH-SANMLTNESA-N 492.583 5.077 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)n[nH]2)C1 1816188498 UCGBGKPVOPIGRI-NRFANRHFSA-N 495.505 5.161 30 20 JKED Cc1cnc(Cl)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1816621640 MDSGFWSBAGLDFH-HXUWFJFHSA-N 486.092 5.124 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccoc3C(F)(F)F)n[nH]2)c1 1818213449 RCRARQMLKITVSZ-IFXJQAMLSA-N 485.466 5.268 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1 1818441434 QAIHUGYLDUREQA-RUZDIDTESA-N 465.557 5.507 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]2)cc1 1818867928 LERDZQWQAKBCCF-FUPPJEDESA-N 473.964 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1819302401 DMJGQNAOTTXXHY-MZKUHISZSA-N 489.664 5.082 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2cccnc2)[nH]n1)c1ccccc1 1819521403 PUESPXZFYVEFGJ-AZGAKELHSA-N 483.616 5.017 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2Cl)n[nH]1)C(F)(F)F 1820187166 KIIRWZMFVHRWQA-HNNXBMFYSA-N 492.832 5.089 30 20 JKED CSc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1O 1820196696 SUFLITPZOXIBSJ-IERDGZPVSA-N 489.601 5.084 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)[nH]n2)c1 1820481860 QJSNRGFEOZUNAV-JOCHJYFZSA-N 472.936 5.036 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3c[nH]c4ccccc34)n[nH]2)c1 1820736574 QOBBVEBTTJIXGJ-IQGLISFBSA-N 480.572 5.067 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC(F)(F)F)c(F)c2)n[nH]1 1820998173 FCQOQFWTTIFJMK-KDOFPFPSSA-N 482.478 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c1 1821041950 DZWBMKIEJVBDPU-IVZQSRNASA-N 479.943 5.449 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)[nH]n1 1821919767 CZQNYRWMUAGHAC-YADARESESA-N 482.588 5.267 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1821927522 CEAFCZWQBFKGPF-CXAGYDPISA-N 479.806 5.344 30 20 JKED Cc1ccc([C@@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1822059882 PDKPNDGFNLDADI-CJFMBICVSA-N 469.589 5.018 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3c[nH]c4ccc(F)cc34)n[nH]2)cc1 1822261256 ZDYLUVXLCBFZPG-RUZDIDTESA-N 498.562 5.035 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823307292 OLGXYWUFIFMBHI-LJQANCHMSA-N 498.933 5.371 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)c2ccccc12 1823605723 ZUNNKRHRPCVLAN-DEOSSOPVSA-N 469.589 5.190 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823807331 MLBBNHDIQKUKOP-IBVKSMDESA-N 478.036 5.178 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1824139297 JSQJUOWQKOVINW-KWXIBIRDSA-N 464.650 5.187 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)CC1 1824424696 VLFICPMELQTXBB-FXVJXKIMSA-N 464.650 5.079 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1824542070 RUCHUXHSKGSGCW-QUCCMNQESA-N 475.457 5.320 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1824866150 PZYRXXXYPQUYOP-FIPFOOKPSA-N 471.645 5.488 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)s3)CC2)c1 1825353109 SHYBUEWKDCKSSS-DYESRHJHSA-N 453.583 5.061 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Cl)CC1)c1cccs1 1827684007 ULDFZFSRBSLHQV-RQWLHQTBSA-N 471.022 5.074 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827855611 AHOLJRSOCPLPCK-HXUWFJFHSA-N 452.517 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ncccc4c3)CC2)c1 1828034849 QGEHOWKDQZGEPC-KMRXNPHXSA-N 480.612 5.409 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828040644 KOKOWTAXTJREHV-SANMLTNESA-N 474.004 5.106 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1828295523 OLSNBRSYGGMCQS-VWLOTQADSA-N 474.992 5.240 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1828830958 QBWLOAYNFRPTQC-UPVQGACJSA-N 481.587 5.515 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1828879086 CVLNEROMGVEILT-ODVYZXGQSA-N 491.632 5.545 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCC#N)CC3)ccc21 1829695412 PQDZOOZIRAMVCP-RUZDIDTESA-N 470.617 5.351 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)cc1 1830016857 MNFPEYKQSCLPOL-MHZLTWQESA-N 486.591 5.045 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830054767 YTTSTOQIJOBZNT-XMMPIXPASA-N 483.534 5.433 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)CC2)c1 1830100184 YMZGCTKMJKCZQA-CJAUYULYSA-N 465.544 5.139 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830606298 NDCHKRSAXAALSP-QHCPKHFHSA-N 459.030 5.166 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2Br)CC1 1830687937 ZHFWNNSMRAFLTL-FQEVSTJZSA-N 495.408 5.154 30 20 JKED C[C@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CC=CCC1 1830723457 JQSZNTQIKLJMLU-BVAGGSTKSA-N 454.014 5.191 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccn3c(C)cc(C)nc23)CC1 1831048399 IJSCNJVUUDIPDK-XMMPIXPASA-N 464.654 5.177 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1831514840 KSUGDEJXWXBUCV-QDPGVEIFSA-N 471.645 5.407 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1831854777 NWKOCTSWNPGLAQ-RUZDIDTESA-N 454.680 5.042 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1)c1ccc(O)cc1 1831921479 VORJQWVPHASMEB-IGKIAQTJSA-N 476.617 5.033 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1832027783 BDUBHHJPHBDUIP-MUUNZHRXSA-N 496.655 5.452 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C)CC3)CC2)cc1C#N 1832372992 BYQGRZRGKDYOCE-KJOQGJGQSA-N 479.665 5.405 30 20 JKED Cc1cc(F)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832704835 WCEPJVICIYCGEH-SANMLTNESA-N 491.607 5.340 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)CC2)c1 1832985171 ILPUIEHSBCJTHP-AUZMWRNASA-N 469.576 5.293 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Cl)nc2scc(-c3ccccc3)c2c1=O 9041573 FKYUGMGUGVIGTQ-UHFFFAOYSA-N 468.003 5.695 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc2c(c1)OCCO2 10179693 MLZIGKRAWPYRIV-UHFFFAOYSA-O 461.607 5.284 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10754084 CWVPCXHWVHISRF-UHFFFAOYSA-O 462.397 6.423 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccccc2Cl)cc1 10826125 HXLJNBIGKUDOFS-UHFFFAOYSA-O 464.825 6.548 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158338 IRDBBEBWBSGGKM-UHFFFAOYSA-O 464.825 6.548 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)c3cnn(C(C)C)c3n2)c(C)s1 14326084 YONFVYCVKBEAFZ-INIZCTEOSA-N 487.585 5.413 30 20 JKED C=CCn1c(SCC(=O)Nc2cccnc2Cl)nc2cc(-c3ccccc3)sc2c1=O 21494408 GYTNFPZNWNZHEX-UHFFFAOYSA-N 468.991 5.090 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1Cl 23518472 MMRUVVGTTVBROE-HNNXBMFYSA-N 460.962 5.263 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)c1 26756673 PMCMRDGALMNAFO-GOSISDBHSA-N 465.648 5.310 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2-c2cccs2)nnc1-c1ccc(Cl)cc1 32426670 AEXYUIQWDHAQAT-UHFFFAOYSA-N 467.019 6.244 30 20 JKED COc1ccc(-c2nc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)sc2C)cc1 43760567 KGAUVNHTFMJVSL-UHFFFAOYSA-N 489.557 5.102 30 20 JKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 71988415 ZDYCWCBOQDOJBC-LJQANCHMSA-N 463.512 6.108 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2)cs1 72025296 XAPIOIFRGYBPCE-UHFFFAOYSA-N 455.539 6.255 30 20 JKED N#CCCCOc1cccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1 108298327 QGVSEKKZWIRRMM-UHFFFAOYSA-N 456.365 5.436 30 20 JKED Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)cc1 110441127 KWGBADQXHPFEDW-OAQYLSRUSA-N 484.625 5.692 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc(OC)c1Br 302955045 BCPVNRUODVSZGZ-UHFFFAOYSA-N 453.292 5.383 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccccc2)nc2scc(-c3cccs3)c2c1=O 410178771 NSSXWRAACXKOPH-UHFFFAOYSA-N 453.614 5.493 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cs1 491479220 KJOZNJZVCKIZHW-UHFFFAOYSA-N 479.612 5.298 30 20 JKED Cc1c(NC(=O)c2ccccc2I)cccc1NC(=O)c1sccc1C#N 497989180 QDNRCRHOVAMVBN-UHFFFAOYSA-N 487.322 5.037 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)c1 501704811 ZCDXRQGGMPVAQR-UHFFFAOYSA-N 494.473 5.255 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1)c1nc(C(=O)OCC)cs1 501940115 FSQGYRGNHYJTFY-UHFFFAOYSA-N 457.577 5.063 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3N3CCc4ccccc43)CC2)c1 502583662 CWYAKEBCPSMSEO-UHFFFAOYSA-N 465.557 5.135 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)nnc1-c1cccnc1 503715498 ZURKDZDCPUPYPN-KBPBESRZSA-N 464.620 5.215 30 20 JKED COc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)ccc1OCc1ccc(Cl)cc1 504701156 SFUUNHUPUYFPOZ-UHFFFAOYSA-N 459.980 5.561 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)cc1 505674319 PPNXEBCDEYMATQ-UHFFFAOYSA-N 472.476 5.428 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 508354685 LQCYFHNXUHKNJH-UHFFFAOYSA-N 471.900 5.888 30 20 JKED COc1cc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])cc1OC 510007650 WEWBNCDSDIRWQB-HXUWFJFHSA-N 494.935 5.285 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)s2)cc1 510239543 ISXVLCHNZDEOEJ-UHFFFAOYSA-N 472.599 5.505 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 512859821 FHOATWZGXDFVBE-HSZRJFAPSA-N 491.494 5.504 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1oc2ccccc2c1C 513010481 HLNGFGIWTIPLEE-SFHVURJKSA-N 453.498 5.530 30 20 JKED COc1ccc(C)cc1NC(=O)[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 515756284 VLEQDMAFWCVNCE-LJAQVGFWSA-N 477.564 6.246 30 20 JKED COc1ccc(CCCN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 516094821 BVJVEBHHCILZNH-DEOSSOPVSA-N 475.976 5.034 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1)c1ccccc1 517281358 LAFGTSCNXFLRIY-QFIPXVFZSA-N 471.969 6.230 30 20 JKED CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 518127463 ZIQMSKYGUGFDKI-AWEZNQCLSA-N 461.381 5.454 30 20 JKED CC(C)[C@H](CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1 518806458 URLORWLPRMBDPG-DEOSSOPVSA-N 457.599 5.459 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 518886341 LXURPOVYDRMBEX-MHZLTWQESA-N 485.584 5.553 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2Cl)c1 524390900 IWJBCZXOPLQMLF-UHFFFAOYSA-N 473.876 5.137 30 20 JKED O=C(CCCC(=O)Nc1cc(C(F)(F)F)ccc1F)Nc1cc(C(F)(F)F)ccc1F 590235074 RAHFVXOMIGFHAL-UHFFFAOYSA-N 454.317 5.750 30 20 JKED O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 594261517 WONKHRCOOWXXPG-HUBLWGQQSA-N 472.401 5.415 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 603615369 QPGJEMPWOIVMBS-UHFFFAOYSA-N 451.349 5.415 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1Cl 603673368 LWGRUPAVFKKIHS-HXUWFJFHSA-N 461.974 5.463 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)c1 603831291 PFRCQGPZQIXYDZ-MNZLEMJZSA-N 498.427 5.842 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(CCCc4ccccc4)c3)CC2)c1 608864687 XUGHMFPHGBCWBD-UHFFFAOYSA-N 466.585 5.616 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2sc(-c3ccccc3)cc2C#N)CC1 608938740 VAUMJHOZMCOLPA-UHFFFAOYSA-N 458.587 5.189 30 20 JKED COc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OC(F)F 609123805 HNZVZHYQKNGIRM-UHFFFAOYSA-N 471.435 5.208 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC1CCCC1 609404742 PWKJHZBOAYVRAP-MSOLQXFVSA-N 481.618 5.084 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 609431101 RDKOQHIXGQGZBL-PGRDOPGGSA-N 484.581 6.210 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)nnc1-c1ccccc1OC 613933458 XCDLDJDNVWTGJL-HSZRJFAPSA-N 492.645 5.384 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4nc(C(F)(F)F)ccc4c3C)n2)cc1 614385368 BJBJRXBHHXITMV-OAHLLOKOSA-N 457.502 6.546 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618300314 AMJFXAZEPTWHKQ-UWVGGRQHSA-N 477.302 5.233 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 623650172 PSNIDRPQZCVITN-OAHLLOKOSA-N 482.344 5.091 30 20 JKED O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 641855682 PQWKBMCPHJLIOX-UHFFFAOYSA-N 474.361 5.911 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccccc2F)nc2scc(-c3ccccc3)c2c1=O 644436156 XXSVFMSQUOVAOJ-UHFFFAOYSA-N 465.575 5.571 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C3SCCS3)c2)nnc1-c1ccc(Cl)cc1 726365539 VWULACLODCDRPU-UHFFFAOYSA-N 489.091 5.994 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H](OC3CCCC3)c3ccccc3)s2)cc1 726912473 ZZFWERDPFIYLDJ-HXUWFJFHSA-N 450.589 5.341 30 20 JKED C#CC[C@@H](OC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1)c1ccccn1 727776269 XBOVOLODPBRSNP-GOSISDBHSA-N 472.360 5.415 30 20 JKED CCOC(=O)c1cc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1F 728503004 XRIVQLKEYGNRHM-FQEVSTJZSA-N 472.925 5.112 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ncccc3C)C2=O)c1 729634509 NHADTTBBZUSRLX-HSZRJFAPSA-N 458.587 5.167 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 729634961 XXYZMKHMHPIVDY-NRFANRHFSA-N 464.978 5.204 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730458961 DDYGAODJDXKLMR-GOSISDBHSA-N 483.462 5.496 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(C(=O)O)s2)ccc1OCC(=O)Nc1ccccc1Cl 730590625 WNRUFHJOBNPLSN-VURMDHGXSA-N 471.918 5.022 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)O[C@@H](C)C2 730685570 ACTHXJLMOIBQSD-OYYDLILQSA-N 473.356 5.167 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1 730727951 XYMPUWCOWHCHII-HXUWFJFHSA-N 486.956 5.244 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cc(Cl)ccc2Cl)n1N 730952906 YSEPMUJPKNPHOE-LBPRGKRZSA-N 493.445 5.091 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 731061806 DHHPKERYJWAZFU-GFCCVEGCSA-N 490.425 5.771 30 20 JKED Cc1ccc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1NC(=O)c1ccccc1 731073425 JHIIWXKPWGWELL-SFHVURJKSA-N 487.581 5.295 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1-c1ccc(C#N)cc1 731080754 PLZDTJWQCWWJEK-KRWDZBQOSA-N 472.570 5.013 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@@H]2CCOc3ccccc32)C1=O)NC1CC1 731152996 VLBYTENLLLYJMZ-NBGIEHNGSA-N 485.609 5.006 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCC1=CCCCC1 731313243 UZELNYSEYGDGNH-HSZRJFAPSA-N 474.586 5.115 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1sccc1-c1ccc(F)cc1 744608132 KOSFRSJKWZVEAU-INIZCTEOSA-N 452.507 5.055 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744936497 QPIZLRNRLZZWDI-ZDUSSCGKSA-N 498.363 6.393 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(C3CC3)C2=O)c(OC)c1 745988883 CZQFRPUUALUJIF-IBGZPJMESA-N 494.400 5.133 30 20 JKED Cc1ccccc1-n1c(-c2cccnc2)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S 746032848 LSYYSDNSEFLMMY-UHFFFAOYSA-N 454.603 5.513 30 20 JKED N#Cc1ccc(CNC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)cc1 746533058 OLUOMMJPYPLSIH-QNGOZBTKSA-N 477.520 5.050 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 750693066 CWIZSEHAFLDREP-OAQYLSRUSA-N 478.593 5.100 30 20 JKED Fc1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccccc3Br)cs2)cc1 767168406 LNPLUWNNHRMDGG-UHFFFAOYSA-N 460.357 5.141 30 20 JKED CCOc1cc(C=Nn2cnc3ccc(Br)cc3c2=O)ccc1OCc1ccccc1 767314377 NOQJDCUMQMDUHF-UHFFFAOYSA-N 478.346 5.019 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Br)c2)N(CC)C1=O 799224688 YLVRXNFMBRCUCC-LJQANCHMSA-N 490.423 5.218 30 20 JKED C[C@H]1C[C@@H](C=Nn2cnnc2SCc2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C 807957846 ADJWDJRGBMGMQI-RDJZCZTQSA-N 450.008 5.093 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 811820809 LSRZMQDFYZFERN-CQSZACIVSA-N 497.598 5.288 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccccn1 837325635 OVMMWVWBJBLWJG-ZHRRBRCNSA-N 496.995 5.904 30 20 JKED C=CCn1c(SCc2nc(-c3ccc4c(c3)CCO4)no2)nnc1-c1ccc(Cl)cc1Cl 904686610 JOLGWNPFLUJORT-UHFFFAOYSA-N 486.384 5.715 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)c1 912808690 OBLQGPSGVYUCBL-UHFFFAOYSA-N 465.560 5.282 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(C)C)c1 913118737 ZPXSXGBMHQWVGK-XMMPIXPASA-N 488.613 5.415 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 914692057 UCVMKLQRIDNORP-QVKFZJNVSA-N 469.513 5.149 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)Cc3ccco3)C2=O)cc1 914694985 ZXXWKXGXNQRNGB-HJPURHCSSA-N 493.560 5.213 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103892 HNHQCINKELNYMQ-HKUYNNGSSA-N 455.461 5.456 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915104594 SWKKWEXMKDAENR-HNNXBMFYSA-N 457.843 5.267 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915180254 MZANVPVLRAPVKN-OAQYLSRUSA-N 490.357 5.392 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915199819 MXPKXYOHAPCMLY-DQEYMECFSA-N 457.599 5.141 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915353486 NTMRCYQUBWZYTI-QHCPKHFHSA-N 485.975 6.088 30 20 JKED O=C(COc1ccc(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)cc1)Nc1ccccc1 915985360 SXUPYKNCJKSALR-NVNXTCNLSA-N 464.521 5.574 30 20 JKED COc1cc(/C=C\C(=O)c2cccnc2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 916136993 DMBGOQZMTNHOOE-YWEYNIOJSA-N 464.326 5.061 30 20 JKED Cc1sc2ncn(N=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)c2c1-c1ccccc1 916283789 SVGLBRRVEGHZOL-UHFFFAOYSA-N 456.483 5.484 30 20 JKED CCOc1c(Br)cc(Br)cc1C=Nn1c(S)nnc1-c1ccccc1 916308028 ZGIIGAAMFLHIBJ-UHFFFAOYSA-N 482.201 5.040 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(Cc2cccs2)n1CCc1ccccc1)c1ccccc1 916622960 TYHCABFEQZCPNB-JOCHJYFZSA-N 458.612 5.142 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916901041 WTNCLYZBILSRQJ-KRWDZBQOSA-N 459.596 6.111 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 916914461 LRTFWDTTYZXFSD-FQEVSTJZSA-N 450.926 5.013 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc1OC 916935601 TWMVMQBNHFRFIJ-JOCHJYFZSA-N 485.515 5.271 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccoc2)c1 917137367 LKBIHKGRRHDSSZ-UHFFFAOYSA-N 498.910 5.263 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c1=S 917460700 IHHJCXXWCVATKD-UHFFFAOYSA-N 484.572 5.106 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)ccc1OC(F)F 917563611 PRQHAIHTJMWFAQ-YFHOEESVSA-N 458.486 5.642 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)c1 917677383 DBVGVMVEVNVRBF-NRFANRHFSA-N 467.591 5.665 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccsc3)C2=O)c1 917682862 KUYPDCIXUZHAAX-OAQYLSRUSA-N 465.600 5.226 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 917700624 MKQVZORTIWJLDQ-NRFANRHFSA-N 483.515 5.981 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)[C@@H](C#N)C(=O)c4c(C)[nH]c5ccccc45)c(=O)c23)cc1 920101603 GFKFKIYRJNPTQB-HXUWFJFHSA-N 494.576 5.205 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c(C)c1 920110166 ASJHPCPVXYRREU-LJQANCHMSA-N 457.313 5.743 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1c(C)noc1C 920354338 BRZOVHUWWXJTIA-QFIPXVFZSA-N 480.565 5.153 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNc1ccccc1S(=O)(=O)NC(C)(C)C 920378012 MXADHRVEXKIUNH-UHFFFAOYSA-N 480.421 5.010 30 20 JKED O=[N+]([O-])c1cc(C=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1N1CCCC1 920399220 NUJACMMIJMCFSR-UHFFFAOYSA-N 462.293 5.103 30 20 JKED CSc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)cc1 920806745 PEXCXGCCAOFCNP-XJKSGUPXSA-N 469.538 5.040 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)cnc4Cl)CCC3)cc2)C1 1785808527 ISHDDRHKAWHCLL-UHFFFAOYSA-N 474.786 5.211 30 20 JKED O=C(CCc1cnc2ccccc2c1)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1786035851 VYGIYMUMAZOYFJ-NDZAJKAJSA-N 480.568 5.014 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)C3CCN(c4ccccc4)CC3)cc2)CCC1)C(F)(F)F 1786094110 GNKHZYZPHXZCDO-UHFFFAOYSA-N 471.523 5.156 30 20 JKED CC(F)(F)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1786454257 LDWJWMXHKFCMMF-VAWYXSNFSA-N 460.546 5.303 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)/C(C)=C/c3ccc(OC)cc3)CCC2)cc1 1786679193 NAHTVJJMCRKZOP-HTXNQAPBSA-N 450.604 5.152 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788311910 BPLDCLNKZCVNCG-KKMKTNMSSA-N 492.988 5.410 30 20 JKED COc1ccc2nc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(C#N)cc5)CCC4)cc3)ccc2c1 1789027599 QJSIHXXBGHFSPT-UHFFFAOYSA-N 490.563 5.105 30 20 JKED Cc1cccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5n[nH]c6ccc(C#N)cc56)CCC4)cc3)[nH]c12 1789255345 YWYSOASNZISADQ-UHFFFAOYSA-N 488.551 5.286 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCN(C)C(=O)OC(C)(C)C)CCC2)cc1 1789455157 MKXZGKCIWZOISP-QHCPKHFHSA-N 483.653 5.536 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)cc1 1790707974 ZAGXNUQZLFURCK-UHFFFAOYSA-N 476.536 5.469 30 20 JKED CCc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790768031 YATAYWMTRSNKEJ-UHFFFAOYSA-N 464.978 5.292 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Cc4ccncc4)cc3)CCC2)cc1C#N 1791039875 NXJMKSMGQYKMLH-OAQYLSRUSA-N 496.611 5.367 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3cc(F)cc(F)c3)CCC2)cc1 1791587480 WMPAUXCWDAHRKM-HSZRJFAPSA-N 499.558 5.241 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(Cl)c1 1792141215 DOPIQCHKPLAVKP-UHFFFAOYSA-N 473.960 5.476 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C(=O)N(C)C)c4)cc3)CCC2)c1 1792197388 HLVZAGLQMMYIRM-HXUWFJFHSA-N 494.595 5.077 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792207765 ICFGYENKVUOGLS-AGILITTLSA-N 493.648 5.102 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2 1796472238 GJPJMNFUBCINRR-OXCBMLQPSA-N 478.596 5.250 30 20 JKED Cc1c(Br)ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2 1800783197 KWKQNJXCFVUKGX-PPRPKMEESA-N 498.396 5.089 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@H]1c1cccnc1 1802492244 MIWJRKUAFOUELR-URXFXBBRSA-N 462.638 5.086 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1803083356 BKWRLJDBNOZLSB-WIOPSUGQSA-N 478.036 5.241 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(F)F)cc2Cl)C3)c1 1803681412 PQCHDWATHIBXCK-DQEVTTJGSA-N 487.934 5.134 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(Cl)ccc4F)C3)CC2)c(Cl)c1 1805138507 SRZFCUPFNLBZPI-UHFFFAOYSA-N 474.363 5.163 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1 1805678401 FDSFXBZZVVYDKJ-RBJSKKJNSA-N 498.627 5.105 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccnc3s2)[C@@H]1c1cccnc1 1809170271 TURNWJYJDIGPFP-IRLDBZIGSA-N 462.619 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1c1cccnc1 1809701532 OBWCGJZHFXROHK-NTKDMRAZSA-N 462.569 5.014 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3ccccc32)[C@H]1c1cccnc1)c1ccccc1 1810447369 LYZRGNCYJKTTHT-OGAWYMSISA-N 491.635 5.015 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1810473558 QUXYHQJMOGMQIL-OEQAEZTDSA-N 485.603 5.343 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1810494682 FXAYCHLDUFQVCY-SHQCIBLASA-N 484.644 5.697 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCC3)c(F)c2)[C@@H]1c1cccnc1 1811389215 ZWFLQVMEGHVCPN-OZXSUGGESA-N 492.639 5.133 30 20 JKED Cc1cccc(C)c1C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1811403422 OCRIGZSEURTXTH-SHQCIBLASA-N 475.709 5.069 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302578 ZVCPNXWRFPPKMR-LNXUECGXSA-N 487.625 5.255 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1812590210 LXYMELFRKKFPSF-DDZLNHKNSA-N 469.585 5.406 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)[nH]n1 1814442808 VYKUUBXHYLGACN-QFIPXVFZSA-N 452.599 5.036 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)COc3cccc(Cl)c3)n[nH]2)c1 1814668788 BKFJNZSHJXWUFM-HXOBKFHXSA-N 491.979 5.075 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n[nH]1 1814714712 GRNALQDGWSEYGL-QZNHQXDQSA-N 450.558 5.113 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1815095839 JUIZRTJRWKABKQ-KKSFZXQISA-N 494.020 5.421 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4sc(C)nc4c3)sc2C1 1818444950 TVSZDFMRDRQNCH-IRXDYDNUSA-N 466.632 5.055 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)[nH]n1 1819305944 RRABQDHVWBQLCO-UWJYYQICSA-N 463.607 5.402 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n[nH]1 1819742556 YVUZTEQIPGQPCI-QGZVFWFLSA-N 464.397 5.410 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)cc1 1820229409 OEFJWVLGSPZNPL-JOCHJYFZSA-N 487.947 5.230 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)n[nH]1 1820952912 ZYVBLMPXHZXQJI-ICSRJNTNSA-N 489.661 5.088 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c1Cl 1821124812 AQZWSPHGQYYDSB-IBGZPJMESA-N 486.334 5.347 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821241333 QRXNZBRSWJPYFJ-NRFANRHFSA-N 496.409 5.118 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1821987704 NWXFXYHAKCCOKM-LJQANCHMSA-N 496.599 5.296 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C)c(Cl)c3)CC2)c1 1823908069 NXRRRGMIYIVEMC-VWLOTQADSA-N 480.008 5.076 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827102960 JMFANOIYZQFCKW-DEOSSOPVSA-N 472.771 5.352 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nccc3occc23)CC1)c1ccccc1 1827302483 SMNQOBLQZPWSOF-AHWVRZQESA-N 483.612 5.258 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2F)CC1 1827991409 SFRJEFBSKRQLMH-FQEVSTJZSA-N 497.474 5.049 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)cc1 1828415376 OSLAOZZLHPVLMW-ZEQKJWHPSA-N 489.582 5.028 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828547652 ZRTMESCRYJDBJO-OXJNMPFZSA-N 450.695 5.151 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828741837 USWXMJRWAULNOB-UNMCSNQZSA-N 462.059 5.009 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1 1829895742 FECUEOFHPGXHOV-XMMPIXPASA-N 481.999 5.217 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)c1 1830777053 DTSONZUQXJXTQA-QFIPXVFZSA-N 486.454 5.110 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)C1 1830805869 JZTOZQJPZASMRM-HHHXNRCGSA-N 478.583 5.831 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1830838331 IMZNRPDNAMKYJJ-OAQYLSRUSA-N 471.045 5.442 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831017156 BAFUFQRJIMIPKK-GJZUVCINSA-N 480.052 5.890 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 1831376184 LIBCQJAVWGWXJL-UFONIEFXSA-N 487.482 5.385 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F 1831453029 JLRGXJXNLXKVEC-GOSISDBHSA-N 496.879 5.711 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 1831860637 FZTVZCCRNHWJID-LJAQVGFWSA-N 499.655 5.485 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCCC2)CC1)c1ccc(O)cc1 1831924424 DQUASKQFTXIKJS-XNMGPUDCSA-N 464.650 5.089 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1832737578 JGYJYZKNAPTKTM-RCZVLFRGSA-N 486.056 5.300 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CC1 1836076896 RLEQMABIURAKDD-HSZRJFAPSA-N 498.671 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)CC1 1836742860 PZEZQNFTEBGENE-DHIUTWEWSA-N 488.619 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CC1 1838373531 UVGXNSXZPQIJDJ-FQEVSTJZSA-N 497.438 5.513 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)CC1 1838750918 XCJMOOXBVJFJKI-SFHVURJKSA-N 493.475 5.236 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(F)cc(Cl)c4)CC3)CC2)c1 1838822144 CAGSGXMLZDJDCS-SFHVURJKSA-N 497.998 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)C1 1841217710 AZWJHIDBEATXQY-UHFFFAOYSA-N 473.828 5.221 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCCc2ccc(C(F)(F)F)cc2)c1 1847775491 ZVPNMRRZAUJPBH-NWVWQQAFSA-N 483.534 5.171 30 20 JKED C=CCn1c(SCC(=O)OCc2cc(=O)oc3cc(C)ccc23)nnc1-c1ccc(Cl)cc1 9414405 UWEQYQLIALAYBN-UHFFFAOYSA-N 481.961 5.035 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159578 NXNDBGRDSFSQLR-UHFFFAOYSA-O 485.460 5.887 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(OC)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 11261171 GVWDKPSJDBCALU-UHFFFAOYSA-O 494.637 5.063 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NCCc3ccccc3)s2)n(C2CCCC2)c1C 12483064 UVSPVVFRVZRXLB-UHFFFAOYSA-N 480.663 5.329 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2OC)nc2scc(-c3cccs3)c2c1=O 16986866 CWLDNSICUSNPGK-HNNXBMFYSA-N 497.667 5.809 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccccc1OC 18771365 HEQCWXBDTDEZJW-QGZVFWFLSA-N 478.618 5.488 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2cccc(Cl)c2)cc1 22730558 XBLLPGQXJOLTHJ-UHFFFAOYSA-O 474.831 6.003 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)s1 22731746 NIYRMZFEASXYSQ-UHFFFAOYSA-O 493.596 6.591 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)NCCc2ccc(OC)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22803179 VHRDFCVTBNXDKK-UHFFFAOYSA-O 475.678 5.614 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 23518459 MSSINZQCIDWCST-ZDUSSCGKSA-N 481.380 5.608 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 78665405 FEGZQRKYAMPORB-KRWDZBQOSA-N 488.613 6.561 30 20 JKED Cc1nc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)sc1SCC#N 107901029 XHKXXGKWOCYOFF-UHFFFAOYSA-N 468.654 6.222 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nnc1-c1ccccc1F 195569879 RZPZMEGRSSXIGK-UHFFFAOYSA-N 470.879 5.673 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCC(=O)N[C@@](C)(C#N)C2CC2)cc1 206790835 JPRZCAUTONUGKT-PQRZRTSLSA-N 486.641 5.404 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)c1 302971305 OBJBZUVHDGKEJA-XCZPVHLTSA-N 467.569 5.488 30 20 JKED CC(C)Cn1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c2ccccc2c1=O 303146611 FJQJCNFPVYBYAA-UHFFFAOYSA-N 486.959 5.409 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N(Cc3ccccc3)CC3CCC3)cc2F)c1 481426246 WCNLTGYOHUVDSC-UHFFFAOYSA-N 471.532 5.044 30 20 JKED COc1ccc(Sc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)cc1 481680645 AHTALFQMVJLFLN-UHFFFAOYSA-N 486.597 5.601 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1 488024037 MUALSJCYKRIDFZ-UHFFFAOYSA-N 475.527 5.333 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)nnc1-c1ccncc1 494121438 ZOJBLZDFIXIARA-UHFFFAOYSA-N 477.977 5.703 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)ccn2)cc1 498735070 XBEFBNKICPLLEV-UHFFFAOYSA-N 495.583 5.597 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 500066488 NUBVDHRKIUOYRN-UHFFFAOYSA-N 456.398 6.237 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)CC2)c1 501696445 JRDPAHQNYOSYGI-UHFFFAOYSA-N 490.028 5.995 30 20 JKED COc1cc(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OC1CCCC1 501934688 IQQINXSABCOIMV-UHFFFAOYSA-N 472.589 5.341 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc(OC)c1OC 502332046 KAPFFDFWBHUIPX-GOSISDBHSA-N 475.545 5.240 30 20 JKED COc1ccc(Br)cc1-c1nc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cs1 502819173 AVWLPZALNVILAU-UHFFFAOYSA-N 486.778 5.469 30 20 JKED CN(C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1ccc(F)cc1 503298224 SDNYLAXSJSBUAT-UHFFFAOYSA-N 466.744 5.374 30 20 JKED C=CCc1cc(CNC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc(OC)c1OC 512487770 ZJNZQTQFEMSUCN-MRXNPFEDSA-N 469.582 5.564 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1ccncc1 514587174 IWXYWOLHZUSAIW-OAQYLSRUSA-N 469.614 5.236 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1ccccc1)c1nc2ccccc2s1 515028321 IFNLXFUBRWFBJX-UHFFFAOYSA-N 452.543 5.125 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1nc2ccccc2n1C(F)F 515540056 AESPWTLVUODUBP-KRWDZBQOSA-N 496.311 6.263 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1Cl 515656050 DKJSSJBOAASXBU-UHFFFAOYSA-N 451.910 5.118 30 20 JKED COc1ccc2c(-c3ccccc3)c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)oc2c1 517078817 CVBCEHQPISNUDG-UHFFFAOYSA-N 452.510 5.664 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2Cl)cc1 517140239 JOTSKILKPYMVOP-UHFFFAOYSA-N 499.958 5.225 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 517831901 OPAWHAXHLRCTBO-SFHVURJKSA-N 453.498 5.563 30 20 JKED Cc1ccc(SCc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2)c(C)c1 517891225 MWWZZLKXXBRHBJ-QFIPXVFZSA-N 455.608 6.604 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)o1 518115017 AACGUMKVKMYDEQ-GAZXMLTASA-N 487.987 5.842 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)c2ccc(F)cc2Cl)cc1 518154873 JDFKEUSZXIAXSR-XMMPIXPASA-N 479.939 5.291 30 20 JKED C=CCn1c(SCc2nnc(C3CC3)o2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 518484615 BDAPKDHCNNMLFP-UHFFFAOYSA-N 454.552 5.311 30 20 JKED Cc1sc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)nc1-c1ccc(Cl)cc1 519025909 SIFRAEABPQPBGP-UHFFFAOYSA-N 466.010 5.066 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 520198886 JPFITEUVYUSDEU-PGRDOPGGSA-N 471.582 5.326 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Br)cc1Br 520813471 IJVRIOJJIGISMN-LBPRGKRZSA-N 484.213 5.481 30 20 JKED CCc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C(C)C)cc1 520848126 IGKBUNUJGBSURE-NRFANRHFSA-N 477.552 5.726 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 521739423 GRAUUKSCXLSYEF-AUUYWEPGSA-N 462.402 5.547 30 20 JKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1ccc(C(F)(F)F)cn1 523251949 QTKIMKAIZREOLT-MRXNPFEDSA-N 470.447 6.768 30 20 JKED O=C(Nc1cc(F)ccc1Oc1ccccc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590143158 LAMFBGRKFCSAFQ-BETUJISGSA-N 450.354 6.213 30 20 JKED Cc1c(C#N)c(NC(=O)CCN(Cc2ccccc2)Cc2ccco2)n(Cc2ccco2)c1C 590926628 RORWCZJFQFYZMU-UHFFFAOYSA-N 456.546 5.242 30 20 JKED Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)sc2c1 591020038 CFENBSYXFKQVGW-CYBMUJFWSA-N 453.976 5.942 30 20 JKED COc1ccccc1Nc1ncccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 591972674 BRXOHNSEHGOBMW-UHFFFAOYSA-N 474.571 5.102 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2cccc(F)c2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 596356663 LUWPWXYPKOCDAZ-GOSISDBHSA-N 458.497 5.375 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 603738492 JKURUPWGOHTQMH-QFIPXVFZSA-N 495.366 5.604 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603765205 SFEFTEJEBFVTOA-UHFFFAOYSA-N 473.492 5.005 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(NC(=O)c4cc5ccccc5o4)cc3)c2C#N)C1 604382505 OVCWAFRQEMFGDA-INIZCTEOSA-N 469.566 5.924 30 20 JKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604444536 RCFVKNCFPRHCTI-AWEZNQCLSA-N 469.875 5.440 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1 604562184 HAATVPYQGFEGHZ-HSZRJFAPSA-N 470.573 5.393 30 20 JKED CC(C)(C)[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 608919917 NLAQZACLLSIPIK-RBSFLKMASA-N 478.399 6.565 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)nc2ccccc21 609079852 MHDJROMNCVRVAR-MHZLTWQESA-N 479.584 6.184 30 20 JKED Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)n1 609104581 IBQKGXDQNANGPM-UHFFFAOYSA-N 454.505 5.260 30 20 JKED CC(C)(C)c1csc(CCNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 609256076 MOBPZZYLZOGMDG-IBGZPJMESA-N 481.021 5.047 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1cccc(CS(=O)(=O)c2ccccc2)c1 611804446 BABQESHVXNQKQS-UHFFFAOYSA-N 457.576 5.374 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccc2c1CN(CC(F)(F)F)C2 622524310 OMSOBBHLTQVVHI-UHFFFAOYSA-N 486.334 5.620 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC[C@H](C)OC)cc1 726394255 UEGUVOWIAWWYHM-KKSFZXQISA-N 490.025 5.042 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3cc(C)on3)C2=O)cc1 726421191 LXVZMSWBYSHLBL-WSJNKUPNSA-N 498.630 5.033 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CC(F)(F)F)C2=O)c1 726422590 XKIMDGRZZSWHFD-QHZJVWLKSA-N 469.554 5.317 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)c1C#N 726546611 KSPHKRXYSZYVMY-UHFFFAOYSA-N 450.564 5.102 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)c(Cl)c2)cc1 726570708 ISMLLESEPMIAPZ-UHFFFAOYSA-O 475.808 6.438 30 20 JKED C[C@@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 728333114 ONSUPZYJSFAOIR-CQSZACIVSA-N 458.396 5.309 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)cc1 728777742 NOPWVGRAXWDTCX-HSZRJFAPSA-N 478.618 5.356 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)cc1 728779342 YPIXXFDCWFTGHL-HXUWFJFHSA-N 454.983 5.303 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3/Cc4c(C)cccc4C3=O)cc2OC)cc1 729148910 BRABGOJCCNSJDV-ZHZULCJRSA-N 457.526 5.242 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1 729889978 VLGKQSWIDYDRMO-PKTZIBPZSA-N 471.557 5.533 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730461606 FZNVVSRRWOSVER-LJQANCHMSA-N 479.499 5.666 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(C3CCC3)C2=O)cc1 730462096 WFPWUAHTTGFOGB-FQEVSTJZSA-N 455.967 5.055 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1 730944498 XHNZPDKYJPVJCR-HTAPYJJXSA-N 479.005 5.134 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 731066291 VFVBTKTXGYRNLU-MRZGDXHCSA-N 482.911 5.948 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cnc(-c2ccccc2Cl)s1 731079781 YFRDIYORKFLHDX-CQSZACIVSA-N 471.991 5.511 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3o2)C1=O)Nc1cccc(O)c1 731306033 JJMWGXXJOFTCNK-HSZRJFAPSA-N 471.538 5.299 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCOC1CCCC1 731310579 KXGQQHDHMQBGSU-HSZRJFAPSA-N 495.645 5.319 30 20 JKED C[C@@H](OC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 743054720 LFNLVNKOQLHNHJ-MRVPVSSYSA-N 457.729 5.701 30 20 JKED CN(C)c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1 745397137 NVSUGOHTUGQNKW-HSZRJFAPSA-N 476.577 5.052 30 20 JKED CCCn1c(-c2ccc(Cl)cc2)nn(CN(CCOC)Cc2ccc(C#N)cc2)c1=S 746050380 DLXGOLDQVLZBLM-UHFFFAOYSA-N 456.015 5.122 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1 746243617 TWSFHJWXBBLEEG-UHFFFAOYSA-N 483.977 5.274 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3cccc(C(C)C)c3)C2=O)cc1OCCCC#N 747472788 CJHLQNFHSTVPCS-HMAPJEAMSA-N 452.601 5.907 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 748619408 QBKWKDLGHQNAJM-NRFANRHFSA-N 453.933 5.706 30 20 JKED CCCCn1c(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)nnc1[C@@H](CC)N(C)C 764722966 COAURWWBVCLTTG-JFLDFIPSSA-N 455.672 5.064 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 779186491 XNEJFHXWDJOLJR-OAHLLOKOSA-N 495.944 5.596 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(F)(F)F)c1 799215051 HSULIDGGUWJLPT-HXUWFJFHSA-N 471.504 5.671 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1cccs1 838187527 HVTVGJBXSDFXAM-QFIPXVFZSA-N 479.627 5.480 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNc1ccc(S(C)(=O)=O)cc1 914836051 WQIOPBXPXVRXIV-UHFFFAOYSA-N 471.797 5.050 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c(C)nc4nc(C(F)(F)F)nn4c3C)n2)cc1 915099854 DEXMKHLNONHIRQ-KRWDZBQOSA-N 484.507 5.001 30 20 JKED C[C@H](NC(=O)c1cccs1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103050 NNFZWIRIMDIZAS-GWCFXTLKSA-N 450.372 5.173 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 915181003 VSHSVKFVPQSNDO-ONBPZOJHSA-N 471.557 5.010 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 915716851 SPVQFRWINKTJRZ-LRDNVRMFSA-N 485.444 5.470 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F 915771532 JDGDKRWPKOTJDW-VXKWHMMOSA-N 463.484 5.149 30 20 JKED Fc1nc(F)c(F)c(NN=Cc2c(-c3ccc(Br)s3)nc3ccccn23)c1F 915947931 CGQWPZFSLVWYEL-UHFFFAOYSA-N 470.249 5.223 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@@H]2CCCO2)c(C)c1 916206919 AXUSVMQGWQPGOF-NZQKXSOJSA-N 465.619 5.060 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)cc1 916209522 MEWVNUAUOADLFX-JOCHJYFZSA-N 481.524 5.134 30 20 JKED O=C(Nc1cccc(C=NN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1)c1ccccc1Cl 916283767 RSUXNFKFPMDUHJ-UHFFFAOYSA-N 498.882 5.284 30 20 JKED C=CCN1C(=O)N[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916723890 QKOGGAPXLJRHON-IBGZPJMESA-N 496.392 5.057 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCSc1nc2ccccc2s1 916901822 AVERBSIFIJYPMR-ZDUSSCGKSA-N 459.980 5.097 30 20 JKED C=CCn1c(SC[C@@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1ccc(Br)cc1 916981535 QWRQHYDHOFHVPO-QGZVFWFLSA-N 484.341 5.738 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996171 LCKOOEYBLZAJIO-MAUKXSAKSA-N 470.381 5.342 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)[C@H]2c2cccs2)cc1 917040087 ICWWIAVVWBXONP-IXFSTUDKSA-N 490.535 5.772 30 20 JKED N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 917043484 KSCHOWPGVUZSST-INIZCTEOSA-N 455.461 6.169 30 20 JKED N#C[C@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2s1 917044632 UIGSARMRQRBBNR-CQSZACIVSA-N 460.437 5.314 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)C2)c1 917431108 ZAGQFUFEEWTWCL-CRAIPNDOSA-N 452.967 5.379 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(Oc3ccc(F)cc3F)CC2)c1=S 917467904 PXRZRBWTNBDIHF-UHFFFAOYSA-N 460.525 5.185 30 20 JKED CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc(Br)c1OC 917645281 WJKXMBNUWBFLBV-YVLHZVERSA-N 475.389 5.134 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 917674782 QFHXYPHDNBLPLB-JOCHJYFZSA-N 474.542 5.064 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2csc3ccccc23)cc1 917684773 KQDNVOFIVAMHOC-QFIPXVFZSA-N 479.627 5.100 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(C)c(F)c2)n1 917687035 LMJZINSWPNSONN-QFIPXVFZSA-N 480.540 5.137 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 918033886 GKCDANWLMOELAZ-MMTVBGGISA-N 492.554 6.616 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(-c3ccccc3)nc2O)n(C2CCCCC2)c1C 919298232 YIZVRIGSCRVVEB-UHFFFAOYSA-N 472.545 5.045 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140519 FJKHHNDHWYNSTH-SFHVURJKSA-N 475.371 5.584 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3cccc(Br)c3)n2)cc1 920141758 QHNDJGJIOWIURX-LJQANCHMSA-N 466.360 5.480 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141782 QWNMVTZTZJJNML-GOSISDBHSA-N 490.013 5.798 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3cc(C)on3)C2=O)cc1 920351902 FHWBYYMDWYBTMP-XMMPIXPASA-N 484.581 5.605 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@@H]2c2ccccc2)c1 920353256 FHBJEBXREPKBQC-YMVVMYQSSA-N 491.657 5.072 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CCCC(=O)Nc3ccccc3)cc2)CCC1)C(F)(F)F 1786111902 VJOMSFQURBXBHZ-UHFFFAOYSA-N 473.495 5.048 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)C4CCC(C(F)(F)F)CC4)cc3)CCC2)c1 1786591204 CWOGRCWLCZXMLF-UHFFFAOYSA-N 458.484 5.003 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3C)cc2)CCC1 1787046741 ZLHYYFOIHORODQ-UHFFFAOYSA-N 468.395 5.094 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cnc5cc(Cl)ccn45)cc3)CCC2)c1 1788385072 ZPYCLIVUCSJCKV-UHFFFAOYSA-N 483.959 5.229 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccn5c4)cc3)CCC2)cc1C#N 1788413499 NQCQYNYYQFCBCJ-UHFFFAOYSA-N 498.608 5.721 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)SCC(=O)N4)cc2)CCC1 1788525198 VRLPDTXRNXFXMG-UHFFFAOYSA-N 475.614 5.247 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)C(F)(F)C(F)F)CCC2)cc1 1788787351 PFPWLJRSEBAWOJ-UHFFFAOYSA-N 466.353 5.255 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982474 KEZLHXRNVCCVMQ-KVUWKNAUSA-N 494.979 5.098 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3c(C)oc4cc(O)ccc34)cc2)CCC1 1789024057 IVIQLQVTJDQHAJ-UHFFFAOYSA-N 454.473 5.406 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCOCC4)cc3)CCC2)cc1 1789453598 BSRLFPVPYJTOEJ-AREMUKBSSA-N 473.617 5.039 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)cc3)CCC2)ccc1F 1789531407 CXCNEFBAPDVKRE-KWXIBIRDSA-N 497.595 5.262 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)Cc4cc5ccccc5n4C)CCC3)cc2)c1 1790072477 ALCFJUJPJQTJJU-UHFFFAOYSA-N 492.579 5.049 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](c4ccccc4Cl)N(C)C)cc3)CCC2)C1 1791129832 GMZQRABHZPGAPE-QHCPKHFHSA-N 451.998 5.043 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4C[C@@H](C[C@@H]4F)N3C(=O)OC(C)(C)C)cc2)CCC1 1791419437 PEPASUSPWBWTMB-GLBNMMOUSA-N 499.627 5.069 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCC(=O)c3cc(OC)ccc3OC)cc2)CCC1 1791563938 MLYVINAPSMIKQV-LJQANCHMSA-N 478.589 5.013 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)CCC2)cc1 1791588595 NQUGUFMEZDDNFT-DEOSSOPVSA-N 477.605 5.271 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccccc3C3CC3)cc2)CCC1 1792087182 DDUJZUMAKSWUGB-UHFFFAOYSA-N 465.553 5.262 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)sc1C 1792125123 RXNKLGHRHNUQAU-INIZCTEOSA-N 458.587 5.449 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3F)CCC2)cc1 1792236382 ALLSPNJBEDWPPW-UHFFFAOYSA-N 477.923 5.177 30 20 JKED Cc1cc2[nH]c(C(=O)NC3(c4ccc(NC(=O)COc5ccccc5C#N)cc4)CCC3)cc2s1 1792240191 MZPIVRNALZBKAS-UHFFFAOYSA-N 484.581 5.236 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC3CCC3)cc2)CCC1 1792271420 OENFTJRVINTADS-HSZRJFAPSA-N 481.637 5.008 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)cc1 1792482935 YBJPXVYWDXKKDF-NUNAXRQHSA-N 477.564 5.342 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1c[nH]c2cc(OC)ccc12)c1ccccc1 1797709041 PMTVWEZGCFCUPE-SEUCSFBYSA-N 495.623 5.025 30 20 JKED CC(C)[C@H](C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1803218619 SJADBEFABQGDRS-GGCFSWKVSA-N 494.639 5.032 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c(F)c2)[C@@H]1c1cccnc1 1803496615 LOGRLGUDDJVVAB-BVAGGSTKSA-N 465.613 5.160 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1804380647 SUQVZOYJGZDOCU-YCQBOCBHSA-N 468.601 5.051 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@@H](CNC(=O)CC#N)[C@H]3c3cccnc3)c(C)c2)cc1 1806289264 GETALFBGLUKIGY-BHBYDHKZSA-N 494.639 5.633 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1808523521 BZLIGDNOFNNJGF-VDSHTBCZSA-N 479.741 5.275 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809445227 LRUFTXSTXRHSLC-IERDGZPVSA-N 489.975 5.481 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1810173992 XPADJVAGQLAZML-INNMJMHTSA-N 480.612 5.232 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3cnccc3c2)[C@H]1c1cccnc1 1810273214 VCEQBPKSHNZGOG-IAPPQJPRSA-N 498.703 5.001 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c1 1810692477 XTKIPOULLKWPJD-CFRFINDLSA-N 490.966 5.135 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1Cl 1811897666 UJOYNDACFIIZTK-YKSBVNFPSA-N 493.394 5.202 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812514512 UXEWBVKFBOTGKC-GJZUVCINSA-N 478.036 5.056 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CCCCC3)[C@@H]2c2cccnc2)C1 1812522882 VMVSOXWYGWMGGO-GJZUVCINSA-N 492.063 5.609 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812590793 ONGFHATWSPCBBO-UTAZYMRLSA-N 467.569 5.513 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)c(C)c1 1814380653 UDHFTZZKYQLPJJ-AREMUKBSSA-N 498.631 5.025 30 20 JKED Cc1c(Cl)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814599731 MEWZUQDEGYVZBK-WAIKUNEKSA-N 475.980 5.618 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)n[nH]1 1814922677 GVBTWUKZHDVAGA-SELNLUPBSA-N 468.548 5.252 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCC(C(F)(F)F)CC3)n[nH]2)c1 1815525182 NUWWJZRMGHYKKQ-ALLBUHFWSA-N 491.489 5.095 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4c(c3)CCC4)n[nH]2)c1 1815683981 HZHVZWXJTZYJRZ-SIBVEZHUSA-N 481.600 5.074 30 20 JKED CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1)c1ccccc1 1816736313 LFPLZAFYULRXLX-ILBGXUMGSA-N 469.589 5.100 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)n[nH]2)C1 1817765260 LGCOCDHRVZRIBI-JOCHJYFZSA-N 477.515 5.022 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cc[nH]n3)n3ccccc23)n[nH]1 1818973126 NSZWSNWMYNNETE-CYFREDJKSA-N 497.603 5.127 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c[nH]1 1819384123 DRPBZRCHZUBARM-NRFANRHFSA-N 481.717 5.392 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCn2cccc2)[nH]n1 1819385608 YBRGMABWNWKCQU-QHCPKHFHSA-N 481.717 5.125 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)noc2CCC)[nH]n1)c1ccccc1 1819519307 QTNRREJRDCTJFO-GMAHTHKFSA-N 487.604 5.162 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cc(OC)ccc3o1)CC2 1820097878 JHYKUABWYHYJFG-INIZCTEOSA-N 467.591 5.116 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217352 IPVWUSXCXXSCMW-FQEVSTJZSA-N 465.916 5.002 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c[nH]1 1820218605 WIYDTXLUIDEVSP-LJQANCHMSA-N 478.984 5.180 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc(Br)c2C)n[nH]1 1820225303 DFHRUPIVYYIYSO-QGZVFWFLSA-N 499.331 5.137 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC(F)(F)F)c(F)c2)n[nH]1 1820998176 FCQOQFWTTIFJMK-KSSFIOAISA-N 482.478 5.008 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821280135 QGAHGPHCHYXAQS-FQEVSTJZSA-N 465.916 5.002 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)n[nH]2)cc1 1821849490 TXQXIUHBMBFEFV-JOCHJYFZSA-N 495.505 5.043 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 1822250304 UBMSBCKLQFIRKN-VWPQPMDRSA-N 497.437 5.162 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)s1 1823290754 BKZZVCFCESAOGR-HXUWFJFHSA-N 477.590 5.058 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ccc(Br)cc4n3)CC2)C1 1823700198 ISCXAMDOTWTCGZ-DEOSSOPVSA-N 496.449 5.197 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 1823753757 GRHHMIIQPYLMPA-AREMUKBSSA-N 474.649 5.369 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824052037 YCTWYGVCQILZKX-WXVAWEFUSA-N 489.685 5.291 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Sc2cccs2)CC1 1824142358 PNIBRTUJSJRKJJ-SIKLNZKXSA-N 460.709 5.617 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1824542242 UBXXDVKPOOUNLF-XZOQPEGZSA-N 474.070 5.076 30 20 JKED C=CCCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cnccc4c3)CC2)c(O)n1 1825625082 CKDYJJAAUOLVJA-HHHXNRCGSA-N 498.627 5.001 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC#N)CC2)cc1Cl 1826692991 ABUXHTSMKIIJTC-OAQYLSRUSA-N 480.436 5.318 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3c(Cl)cccn23)CC1 1827371126 GZEBXYBUDZQGKW-NRFANRHFSA-N 471.045 5.213 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)[nH]c2c(Cl)cccc12 1827518175 UECUMLSPEBPROU-OFNKIYASSA-N 476.086 5.317 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)CC2)cc1 1828559422 OMDIJUHURNNHTD-DEOSSOPVSA-N 475.658 5.240 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1828744879 MCKRJZBFJJTLHE-VWLOTQADSA-N 489.019 5.549 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNc2ccccc2C)CC1)c1ccccc1 1829031860 AZHXOBDWORALMZ-XRKRLSELSA-N 485.672 5.224 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1829954442 BWEWGASTQJWWFN-VWLOTQADSA-N 474.992 5.240 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 1829958957 MITGKEOJOOEQIW-HSZRJFAPSA-N 470.400 5.412 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)cc1 1830013142 SRHZAKYJMWBHPB-ANHREMPLSA-N 496.655 5.170 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCC2)CC1 1830356561 CKTVTPQXRNDSAE-XZOQPEGZSA-N 489.701 5.046 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830628152 FOLNBTMNCZQBPV-AREMUKBSSA-N 475.658 5.087 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831031452 XXKCRSHLKZUNKN-XMMPIXPASA-N 498.570 5.071 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831305924 GUUSAMTWENEWHS-RDPSFJRHSA-N 488.072 5.182 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1)C(F)(F)F 1831450539 DLNXDCXCIUKOTJ-SFHVURJKSA-N 494.888 5.293 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)CC1 1831590556 WUAMZTCIQIFAEO-PYTLXRGNSA-N 450.623 5.097 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1831848722 KZHNVZQRQUOLKD-SANMLTNESA-N 457.618 5.094 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832562855 XXQBVUDLOQYGSH-HXUWFJFHSA-N 469.478 5.454 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1832628588 XKHUDANCYWOPMR-IDISGSTGSA-N 496.611 5.516 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CCC1 1832785382 XQYLJFXEVPPJSM-FQEVSTJZSA-N 481.946 5.286 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)CC1 1836696342 FVVUKPIVBPWDNG-UHFFFAOYSA-N 484.637 5.421 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1838685814 CICFFGQYELIDRA-LJQANCHMSA-N 474.045 5.040 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(C)cc4)CCCCC3)CC2)CC1 1838799454 IDTRJHKTLQTTNL-UHFFFAOYSA-N 492.704 5.389 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc4c2oc2ccccc24)C3)c1 1846830436 MTGDBYWPURRNEP-IBGZPJMESA-N 463.537 5.344 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccccc1 9447723 SMYVXVYCZURGJF-GFCCVEGCSA-N 467.809 6.211 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccccc1 9448107 CPGXAKISDXQCDV-ZDUSSCGKSA-N 477.468 5.177 30 20 JKED CC(C)CCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nc2ccccc2c1=O 10407227 NSUVFUQPNNFSDT-UHFFFAOYSA-N 469.010 5.135 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(Cl)cc1Cl 10836276 JGXGYHRFPUKBIL-UHFFFAOYSA-O 464.825 6.548 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 11164945 HNUJSESSMHFOSO-UHFFFAOYSA-O 492.665 5.716 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1 11252775 MCAAMSHFYVUWAS-UHFFFAOYSA-O 463.579 5.031 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1 11606926 QVKWKZICSWMHNX-XMMPIXPASA-N 474.630 5.385 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccc(F)cc1 14081682 IDADQLFMZOOICN-UHFFFAOYSA-N 471.772 5.961 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cccc(Br)c2)cc1 15247722 KORAIQUBUOIQIU-UHFFFAOYSA-O 496.494 6.665 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccc(N(C)C)cc2)cc1 15248398 AIAMYMNLYLUTLF-UHFFFAOYSA-O 469.030 5.370 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccc(F)cc1 16835731 HGPNITSPKMYYHV-GFCCVEGCSA-N 484.906 6.062 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 21121690 VRGOSALFFUXNGJ-RUZDIDTESA-N 488.588 5.963 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccccc2F)cc1 22696059 HRZYOQSZRQUANX-UHFFFAOYSA-O 458.376 5.489 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)n(Cc2ccc(F)cc2)c1C 24505750 OPNPZHGPKSTDNO-UHFFFAOYSA-N 495.967 5.598 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cn2cc(Cl)cc(Cl)c2n1 72059121 ZUGDUBGOXULKDG-UHFFFAOYSA-N 464.353 5.429 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 105684954 CSGOPMLJPYPJTE-UHFFFAOYSA-N 465.300 5.764 30 20 JKED CN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1-c1ccccc1 109141786 MSFAUBYOTMPBIS-UHFFFAOYSA-N 452.514 5.353 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccncc1 255930051 VCOJEAHIUZCHRN-ZDUSSCGKSA-N 484.557 5.047 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1Cl 302998705 YZQHATMUYHGRJB-QFIPXVFZSA-N 456.933 6.007 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 303291770 BFVGTDJXPYWJGE-LPHOPBHVSA-N 466.657 5.994 30 20 JKED N#Cc1c(NC(=O)c2cc(Br)ccc2I)sc2c1CCCC2 318197602 NCWTWFRAEAPCJP-UHFFFAOYSA-N 487.160 5.118 30 20 JKED COc1ccccc1[C@H](C)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 482764692 XYTCGTJZOCEOLT-CQSZACIVSA-N 459.493 5.765 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(OC)c(Br)c2)cc1 491557022 JQSNYBLDIRFSQH-QHCPKHFHSA-N 494.389 5.285 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1 498521319 FKSSCNOMDQBHCE-UHFFFAOYSA-N 468.557 5.797 30 20 JKED COc1cc([C@@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1OCc1ccncc1 498598774 FRIUGUDQLDBTEI-OAQYLSRUSA-N 493.563 5.611 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1OC 502690862 XODDCGSGHBZTOW-IBGZPJMESA-N 480.549 5.656 30 20 JKED COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c(C)c12 502747875 TZNMTWXPVUQKRP-UHFFFAOYSA-N 469.545 5.137 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2c(F)cccc2Oc2ccccc2)CC1 504229249 WHUKEDICTVWKMR-UHFFFAOYSA-N 467.504 5.392 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 509962339 BTONMOIASUIAGZ-HXUWFJFHSA-N 468.406 5.169 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510274667 WSGCCHPBHAJLQN-UZUQRXQVSA-N 478.017 5.923 30 20 JKED COc1ccc2cc(CNC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)ccc2c1 511457736 CDMSXRLAOWVZJE-UHFFFAOYSA-N 450.498 5.294 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1Cl 511501491 WLERWZYSZLUGMO-VWNXMTODSA-N 457.961 5.168 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 514558262 AJYOBEUJRLWHSX-UHFFFAOYSA-N 474.318 5.255 30 20 JKED Cc1cccc(N(CCC#N)C(=O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c1C 515482002 BVBHFDLLVFDMLW-UHFFFAOYSA-N 476.989 5.342 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccccc4SC[C@H](C)C#N)c23)cc1 517450630 HCROMSLEDGEMEF-QGZVFWFLSA-N 490.679 6.649 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 517461359 GVBGRNSJJLOLDL-UZUQRXQVSA-N 481.415 6.460 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 517532869 PXIGHYSWWKAHAE-MHECFPHRSA-N 455.587 5.879 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 517800754 GKAATZXMEYCXQK-FQEVSTJZSA-N 483.553 6.020 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2OCc2ccc(Br)cc2)n1 518671471 FXGQYNLCBYXESY-KRWDZBQOSA-N 485.359 5.151 30 20 JKED CC1(C)CN(CC2CN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)C2)c2cc(C3CC3)ccc21 518797657 FOPSTBJTKMXENK-UHFFFAOYSA-N 479.628 5.211 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)c1cn(CCC#N)nc1-c1ccc(OC)c([N+](=O)[O-])c1 519882703 RWFULSJRAKAUET-UHFFFAOYSA-N 499.930 5.225 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2sc(C)c(C)c2c1=O 520813988 YMJFFTSMCQYITQ-CYBMUJFWSA-N 472.661 5.077 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 522392212 WMXVXQPVWKUZBW-UHFFFAOYSA-N 465.469 5.422 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cccc(COCc3ccccc3)c2)c1 523254231 UWEHVYGZUWQRJX-UHFFFAOYSA-N 452.510 5.377 30 20 JKED COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(Br)c1 523378863 GRDLIBOXBKAXGH-LJQANCHMSA-N 455.739 6.019 30 20 JKED CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1cc(C#N)ccc1OC(F)F 524435354 PHDJHTZUUYOKQE-UHFFFAOYSA-N 468.460 5.457 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 587988695 HBVJQSCYUMZRJN-MRXNPFEDSA-N 496.445 6.456 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593513542 WTRLSGGRXDDIKF-CHWSQXEVSA-N 478.836 5.547 30 20 JKED C=CCN(C(=O)CCc1nc2ccccc2s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458980 WSLSOBQYCGNTQN-UHFFFAOYSA-N 450.545 5.480 30 20 JKED CCN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 603530515 XLLXRQNKSZTPPZ-CLOONOSVSA-N 459.977 5.683 30 20 JKED COc1cc2cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)[nH]c2c(OC)c1OC 604248858 WRQFGAWKPRZKBY-UHFFFAOYSA-N 473.504 5.047 30 20 JKED CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604362085 GTXRACVQEWGUBH-UHFFFAOYSA-N 494.393 5.104 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)CCc1cccc2ccccc12 609089880 VYHMGRXVARGIEN-UHFFFAOYSA-N 477.564 5.239 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)c2)cc1 609125962 BYWYWSMZIMUVSN-UHFFFAOYSA-N 465.431 5.970 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c1 609371186 NBHWDXRMAAXPHI-UHFFFAOYSA-N 499.827 5.812 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O 609371565 NSAINVQWNDEHQV-IBVKSMDESA-N 498.608 5.083 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 609377895 QSEJSZSOLZYEDK-GOSISDBHSA-N 465.600 5.016 30 20 JKED N#C[C@@H](C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 613320200 WQEUJBPTUVHKQA-IBGZPJMESA-N 477.998 5.945 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c12 613402010 YSUVQTQIVRKNGE-CQSZACIVSA-N 462.485 5.240 30 20 JKED C=CCn1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1ccccc1OC 613932900 QXYJJFXHXUBKBH-IBGZPJMESA-N 470.598 6.245 30 20 JKED C=CCOc1ccccc1CN(C(=O)CCCc1nc(O)c2ccccc2n1)c1ccc2c(c1)OCO2 641879107 YGBBPMNPNOLYNG-UHFFFAOYSA-N 497.551 5.185 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)N(CCC#N)c1ccccc1 725970096 SDYQPFDSLFRCSV-MRXNPFEDSA-N 487.503 5.250 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 726114769 YWSXXNNJOBDLRI-VGSWGCGISA-N 495.674 5.611 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 726400175 OQPZCEZYKNCBAV-UWJYYQICSA-N 474.026 5.342 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(F)(F)F)C2=O)cc1 726416044 RHYXWURUZYUMHV-LJQANCHMSA-N 479.524 5.305 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C(C)(C)C)cc2)cc1 726570946 OGYHZONAQVHJDQ-UHFFFAOYSA-O 463.026 6.428 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Br)cc2)[n+]2ccc3c(c2)CCCC3)c1 726572726 LKADGZSDGQVOQM-UHFFFAOYSA-O 490.446 5.920 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCc2cnn(C)c2)c1 726738641 ZSPYWJZVJUDYGG-DEOSSOPVSA-N 489.645 5.137 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccnc3SC(F)F)s2)c(C(F)(F)F)c1 726981229 OXVZKFNOSCEKHZ-UHFFFAOYSA-N 470.448 5.586 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccc(C)n2)c1 728422702 DUAHYGIBOJFTEM-DEOSSOPVSA-N 483.597 5.039 30 20 JKED Cc1ccc(Cl)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1Cl 728443743 BRFLRUBTVPLKJY-UHFFFAOYSA-N 460.361 6.701 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c(C)c1 728778609 SZCSORZMKXFYER-OAQYLSRUSA-N 469.010 5.611 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCCCC#N)C1=O 728779412 ZLERDQJTKGBBLI-HXUWFJFHSA-N 488.972 5.142 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1scnc1C 729146757 XPGQFDOWUYHZRF-NRFANRHFSA-N 494.642 5.237 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1OC 729429318 KNXYOMRYCKLBAP-HXUWFJFHSA-N 456.420 5.510 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1)c1ccccc1 729888515 GWUKFQIWKCDVSJ-OAQYLSRUSA-N 479.508 5.239 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 729888899 KFRDUSULMBZAJZ-FQEVSTJZSA-N 467.529 5.039 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c1 730444390 WQWSKIPZPXONQV-QFIPXVFZSA-N 498.555 5.081 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1C 730613285 POZVCOMNLJPEOT-RTBURBONSA-N 486.355 5.210 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@@H](C)c2cccnc2)C1=O 730942111 DYPBZLSSDCVZKB-KSFYIVLOSA-N 496.995 5.904 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3sccc3S(=O)(=O)C(F)F)cc2Cl)cc1 730966305 UEGLBRAYBXITJN-UHFFFAOYSA-N 468.890 5.314 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(O)c1 731306323 VGRWYEOITCYUGU-NRFANRHFSA-N 483.952 5.345 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cscn1 747601852 HSOBVPKAAFZZDJ-HSZRJFAPSA-N 497.605 5.328 30 20 JKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 751268619 KSRGSFPCIQBBHV-UHFFFAOYSA-N 479.945 5.148 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3SCC#N)ccc2Cl)cc1 767098278 HMMGENYRBQREEM-UHFFFAOYSA-N 487.990 5.017 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1C 799214448 LVNSPTVFRGUCHG-GOSISDBHSA-N 460.386 5.204 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799218582 BXJLZWPESSZIGI-OAHLLOKOSA-N 459.852 5.002 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccs1 837302339 WHBQZFNRSAXPNG-FQEVSTJZSA-N 471.554 5.495 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1F 838233482 UWFNRZLCCXQJLB-OPAMFIHVSA-N 480.540 5.390 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(C(C)C)nc1C1CCOCC1 856621661 LJUOYPWCBQVBJA-UHFFFAOYSA-N 458.562 5.369 30 20 JKED O=C(c1ccnc(C(F)(F)F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 857487544 HFLQJSNHSFLJPT-AWEZNQCLSA-N 472.307 5.352 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 864163369 SXXASCDTCHMPOH-UHFFFAOYSA-N 489.329 5.186 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 911526995 STFRGQHLNNJLMP-GFCCVEGCSA-N 489.186 5.804 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)NC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 913099647 RUSALGFMRVYNEL-HXUWFJFHSA-N 498.391 5.472 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)Cc1cccs1 914690082 JDNQVWROODCTHF-HTAPYJJXSA-N 479.627 5.348 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)c(F)c2)c(C)s1 914690570 ZMQFULDKUYAWHL-JLTOFOAXSA-N 459.612 5.174 30 20 JKED CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)CC2)cc1 915102367 QYRRHSUCHWEOKF-HSZRJFAPSA-N 493.654 5.211 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1 915102663 CKCMXRPMLDHPSA-GOEBONIOSA-N 464.399 5.622 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1c(Cl)ccc2cccnc12 915467291 GGCUFGLGPPNFCR-UHFFFAOYSA-N 475.726 5.043 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc(OCc3ccccc3)cc2)cc1 915787837 IRQJWRAWBGDBTE-LJAQVGFWSA-N 489.575 5.218 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(C)c1 916207561 YZNQJLQLSJBNPO-HSZRJFAPSA-N 461.587 5.145 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C2CC2)C1=O 916215850 LIYBKRGWRAXPBR-FQEVSTJZSA-N 457.983 5.088 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccccn3)C2=O)cc1 916216187 RABAGRDHCNITMY-XMMPIXPASA-N 486.597 5.062 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 916217685 UZAJLNVTVHDAFN-QHCPKHFHSA-N 461.587 5.227 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccc(OC(F)F)cc1 916333536 NWBUWCZLKQEBOZ-UHFFFAOYSA-N 478.887 5.004 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 916708309 SYKNTOPBVFDGAF-DNQXCXABSA-N 460.375 6.474 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c2c(C)c(C)sc2n1 916847022 JKTMFJHZLFCONL-CQSZACIVSA-N 495.655 5.174 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907652 KDDLYOKXKMUWGX-DEOSSOPVSA-N 482.515 5.311 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccc2c(c1)OCCO2 916965569 NPTCDJJYTXKGMK-QFIPXVFZSA-N 483.499 5.025 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995682 CEZIWXOKTKDLJH-YOEHRIQHSA-N 477.417 5.221 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1Cl 917676277 OWQHYDUUSUVLHB-LJQANCHMSA-N 480.417 5.299 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccnc(C)n1 917687018 LAMRKGGDQWSXNR-JOCHJYFZSA-N 494.020 5.161 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CCCC1 917707172 PDXOUOQTOXVBRA-FQEVSTJZSA-N 452.967 5.115 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 918488568 CLGLGAANYZKNJF-MRXNPFEDSA-N 490.437 5.907 30 20 JKED Cc1oc(-c2cccs2)nc1CC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 919249774 PMXXBTGIPSKZEO-UHFFFAOYSA-N 480.590 5.231 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)s1 920167852 FKHXMSYSGMKCIW-AOMKIAJQSA-N 492.601 5.789 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 920358195 ZBGFFJJGEYYSID-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cnc(-c3ccccc3F)s2)n(Cc2ccccc2)c1C 920701233 LAQCWPWSPRJQIZ-UHFFFAOYSA-N 488.544 5.083 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 920853668 DMWQIZUXEFUFPA-UHFFFAOYSA-N 478.940 5.268 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CCC3)n1 921249184 FCCYXFMIUFFFRU-CBIIRDDDSA-N 493.588 5.910 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1786366828 XTHBQZCIYIHMCJ-UHFFFAOYSA-N 498.583 5.553 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1786710646 ZNMZIXMQKAUEBW-FGCOXFRFSA-N 493.648 5.358 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)ccc4s3)CCC2)cc1 1787647915 WNKSBIDJNUCRPE-UHFFFAOYSA-N 468.376 5.325 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc5sccn5c4)cc3)CCC2)c1 1788410754 IRYZYEQHONKHKL-UHFFFAOYSA-N 468.582 5.253 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1 1788649298 IGTLWFGAWZPKNC-ROJDOSBLSA-N 458.530 5.057 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CCN4CCCC4)nc3)cc2)CCC1 1788687526 LFKLTWISICKALX-HHHXNRCGSA-N 486.660 5.236 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccc(Cl)cc4)cc3)CCC2)c1 1789153520 FDUFVEZVFWFKHL-VXKWHMMOSA-N 458.949 5.091 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(NC(C)=O)cc3)cc2)CCC1 1789177118 HDAQMAMRXXADKY-RUZDIDTESA-N 459.590 5.090 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5[nH]4)cc3)CCC2)c1Cl 1789316481 YKOZYCRNBVAGPB-UHFFFAOYSA-N 469.932 5.149 30 20 JKED Cc1nc2sccn2c1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1789374439 DPAZQEOBZAHRSA-UHFFFAOYSA-N 492.721 5.503 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4c(Br)cccc4n3)cc2)CCC1 1789394532 KYZAEGHFRGQCSA-MRXNPFEDSA-N 481.394 5.057 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ncc[nH]4)cc3)CCC2)cc1 1789454830 GHYGVMFEXKILIY-XMMPIXPASA-N 454.574 5.593 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CS[C@H]4CCCCO4)CCC3)cc2)c(Cl)c1 1790767873 MDAUQGNVDIBEJA-QHCPKHFHSA-N 484.021 5.219 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccco5)no4)CCC3)cc2)c1 1790794862 BAHFWBAAWMDETL-UHFFFAOYSA-N 466.497 5.176 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)CCC2)cc1 1791253735 GVPMWURVKCPUBS-INIZCTEOSA-N 470.495 5.313 30 20 JKED COc1cc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1792074317 PACPYJCSMIHMCY-GOSISDBHSA-N 471.532 5.523 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cc2)CCC1 1792165896 UPVIWKAYCXZBRB-NRFANRHFSA-N 463.534 5.120 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@@H]42)C3)c(Cl)c1 1800689158 RCYQYHFOQWXOMK-OVQJPPBNSA-N 454.014 5.070 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1802499853 JUALEYQTKWYSPC-CUNXSJBXSA-N 495.623 6.293 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(F)c2C)[C@H]1c1cccnc1)c1ccccc1 1802763033 QCYVQDJRAOQUPD-MAARLIENSA-N 483.587 5.046 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1803091224 YZCAMDGITNVWEL-WVADOKLZSA-N 451.655 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)c(Cl)c4)CC2)C3)c1 1803685182 WSSVYFJPMYCIFM-ZINXYGQCSA-N 496.438 5.604 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810276754 IWLCXTWRIZTEKW-NVQXNPDNSA-N 496.127 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1810491298 BYUGHCKJGJYDNQ-NTKDMRAZSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncccc2SCC)[nH]n1 1814442111 YDVGNCSWWWKDRA-SFHVURJKSA-N 455.628 5.215 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CC2)[nH]n1 1814824506 WASOBKFFDVLRLN-QFIPXVFZSA-N 450.558 5.041 30 20 JKED COc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)cc1 1816799295 LAOAXZMHOQBNKA-DEOSSOPVSA-N 494.712 5.094 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4c(Cl)cncc4s3)n[nH]2)c1 1817679188 MWIMBFCAFJHIPB-IBGZPJMESA-N 490.976 5.164 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3Cl)n[nH]2)c1 1820188921 RENCDNCVUZDJRH-HXUWFJFHSA-N 499.905 5.156 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)cc2c1 1820219345 PKBRBLXVVZTSKA-JOCHJYFZSA-N 486.963 5.344 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)cc1 1820587950 JFQQEPDVYJWNHR-NRFANRHFSA-N 481.478 5.114 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c(Cl)c1 1821277146 IMKTZNADUPUICW-LJQANCHMSA-N 486.334 5.347 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)oc3C)[nH]n2)c1 1821322566 QAJZZUOWGDLXMP-JOCHJYFZSA-N 473.577 5.408 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)ccc2Cl)n[nH]1 1823129513 PWLDHMBXEAGIFQ-HXUWFJFHSA-N 458.990 5.370 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCC3)CC2)ccc1Br 1824352934 UGWXKIMTDUUXQF-QHCPKHFHSA-N 486.454 5.134 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)c(Cl)c1 1826475817 NKBOQIAJIOBAON-DEOSSOPVSA-N 484.427 5.341 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827343831 CEVPXICUYUMBTC-HSZRJFAPSA-N 467.997 5.032 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827713249 HCGQKLVATNOKDW-DEOSSOPVSA-N 477.649 5.876 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)cc2c1 1828122762 CLZLZCDVRGHZEX-SANMLTNESA-N 489.019 5.549 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4ccc(Br)cc34)CC2)C1 1828221917 SZZGDDWRDPPACD-QHCPKHFHSA-N 484.438 5.130 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828253685 DKYHPFQKKYYDFI-LADGPHEKSA-N 465.663 5.606 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 1828447830 FHIJINBPFTTYEK-DEOSSOPVSA-N 499.493 5.294 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1)c1ccc(Cl)cc1 1828998697 NQZPFPQCFZTTPM-SGQOLPOJSA-N 498.067 5.411 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)CC1 1829418055 WSKNIJHCDKHOOX-FGZHOGPDSA-N 463.544 5.102 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1Cl 1829685436 GMHFNKQEBPFQQM-DSNGMDLFSA-N 494.010 5.388 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)c2O1 1829952611 RPPJADKOFYMVBQ-SANMLTNESA-N 485.628 5.209 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1830011505 RVVJXHALMGAHKE-CLOONOSVSA-N 464.009 5.249 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1830161518 ZINCJPWUCCQWHZ-BHBYDHKZSA-N 474.645 5.125 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1Cl 1830358954 LOSYBPJGBYWDAG-VWLOTQADSA-N 481.999 5.135 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cccc1C(F)(F)F 1830633051 FPHKTTSAAPDRJO-VWLOTQADSA-N 497.561 5.627 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c[nH]c2c1 1830633659 UYPOMQOGCGXASD-KSGUIJNZSA-N 494.639 5.489 30 20 JKED C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1830717032 FNFTVWYCJGBQFW-IBVKSMDESA-N 461.581 5.124 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c(Cl)c1 1830721301 GGPMXGNINYIXMG-XMMPIXPASA-N 484.427 5.341 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830780751 BDJRRVWWEOJPIA-HSZRJFAPSA-N 481.464 5.518 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 1832030562 SZBHUEWIOAFZJL-JOCHJYFZSA-N 495.408 5.154 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCCC[C@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1832711812 RESCMRPNCDSIIS-SFHVURJKSA-N 494.451 5.420 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1832822612 KJAHXLIYKPZIID-QHCPKHFHSA-N 462.556 5.061 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)CC1 1836610486 AVFVJNCKUCBVDO-UHFFFAOYSA-N 479.036 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C)noc3-c3ccccc3)CC2)CC1 1836696464 UVMBSSJKTSNTFC-UHFFFAOYSA-N 491.632 5.031 30 20 JKED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3c(Cl)cccc3Cl)C2)cc(C(F)(F)F)c1 1844866183 XOLIVIPTWHGZTD-UHFFFAOYSA-N 482.289 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)c1 1845280407 CVXCJUFCBYBYHU-NFQMXDRXSA-N 499.561 5.642 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)N=C2SC[C@@H](C#N)CCC#N)cc1 15237469 ALYZPBQRKZSKSB-KKJJZKEWSA-N 469.397 6.222 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nc2cc(Cl)ccc2c1=O 21831982 SLNNEBVFMFPSPT-KSSFIOAISA-N 460.024 5.142 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccoc1C 22082810 BUTRBBXNNLRUMC-LBPRGKRZSA-N 481.456 5.079 30 20 JKED C=CCn1c(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nnc1-c1ccc(F)cc1 22162707 HMVWEORLNUMWTH-OAHLLOKOSA-N 489.601 6.089 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc2c(c1)CCCC2 22732032 DZYMWBUVMQBLFU-UHFFFAOYSA-O 451.562 5.744 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 23602164 FLHSTJVENLJTAF-KRWDZBQOSA-N 453.633 5.269 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nnc1-c1ccc(C(C)(C)C)cc1 23876196 HPERJAZUSCVZGO-QGZVFWFLSA-N 452.628 5.325 30 20 JKED Cc1ccc(-c2csc3ncnc(SCc4nc5ccccc5c(=O)n4CC#N)c23)cc1 25785882 CENHHLNAEISFHK-UHFFFAOYSA-N 455.568 5.193 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)c1C#N 28491505 MZJQHKLKYARCHO-HZPDHXFCSA-N 459.571 5.128 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(Br)cc3)o2)c1 31639187 LDZRXCMPBZQTIO-INIZCTEOSA-N 485.407 5.543 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 32788074 YZXCNOXVKUHZGA-OAQYLSRUSA-N 468.626 5.441 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nnc1-c1ccoc1C 36252297 STIZIKSFVXJIFA-GOSISDBHSA-N 479.587 5.157 30 20 JKED C=CCN(C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12)c1ccccc1 58642053 RXNXRFUMRWLCDA-UHFFFAOYSA-N 454.526 5.760 30 20 JKED CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 97550447 USNMROCNAAHSKL-XNTDXEJSSA-N 468.962 5.250 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 108733273 XUNUNQRLXXDQOO-UHFFFAOYSA-N 473.935 6.167 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)c2)c1 195612937 XZMLROXPJCFBGV-RUZDIDTESA-N 454.530 5.024 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(Cc3c(F)cccc3Cl)o2)c2ccccc21 303194980 XQPDMYXUWYJBHP-UHFFFAOYSA-N 454.914 5.296 30 20 JKED C=CCn1c(SCc2noc(-c3ccccc3O)n2)nc2cc(-c3ccccc3)sc2c1=O 436704664 KXTZZRBDVACBLM-UHFFFAOYSA-N 474.567 5.359 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)NC(C)=O 476874971 SDFZLOJDPFHQSL-RUZDIDTESA-N 473.548 5.205 30 20 JKED N#CC1CCN(C(=O)c2cc(/C=C\c3cccs3)nc3ccc(Br)cc23)CC1 490848637 FJFCPHTWUHQDJY-PLNGDYQASA-N 452.377 5.605 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1C 498308644 KGDLSPUVBICVOK-UHFFFAOYSA-N 467.451 5.146 30 20 JKED C=CCn1c(SCC(=O)N(CC)[C@H](C)c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 500145463 KXSFBJJYMIEFTQ-QGZVFWFLSA-N 471.026 5.495 30 20 JKED C=CCN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502955913 JQTZFPLCNQXDHO-HNNXBMFYSA-N 476.385 5.278 30 20 JKED Cc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 504865075 UPNDFJXYQXATTC-OAQYLSRUSA-N 455.583 5.227 30 20 JKED CN(CCc1cccc2ccccc12)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 508362400 UIDYPHNTJFLMNB-UHFFFAOYSA-N 459.600 5.562 30 20 JKED C=CCOc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3I)c2)c1 509096065 GNYUWNULQRNYQV-UHFFFAOYSA-N 498.320 5.361 30 20 JKED CN(CCOc1ccc(Br)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511501952 CEYVLCAYRDBHGT-UHFFFAOYSA-N 493.361 5.116 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 513866476 SNMBLYHNOUYBTP-UHFFFAOYSA-N 488.632 5.523 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(Cl)ccc3Br)s2)cc1 514528333 KSCZDZSJGQWVOZ-UHFFFAOYSA-N 465.785 5.370 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)CCCc4cccs4)c3)n2)cc1 516714049 NXHSCHDGGSEDSZ-QHCPKHFHSA-N 496.617 6.195 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 518260247 CROBXSSAPRGQKF-RTBURBONSA-N 459.571 5.689 30 20 JKED COc1ccc(Br)cc1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N 519432967 JWLFMOPYGKQKIP-AWEZNQCLSA-N 465.438 5.581 30 20 JKED N#C[C@@H](C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1 521264658 JPLJXJLUCUDDQO-SFHVURJKSA-N 471.492 5.371 30 20 JKED Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1 521748732 ZSDBSGKNLHDMFU-FQEVSTJZSA-N 472.614 5.499 30 20 JKED COc1ccc([C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)cc1 556504768 QVCKAJXMKCBYRI-NRFANRHFSA-N 461.949 5.821 30 20 JKED N#C[C@@H](NC(=O)c1ccc(F)cc1I)c1ccc(OCc2ccccc2)cc1 556983498 CQKOQGYBSNRZJP-OAQYLSRUSA-N 486.284 5.004 30 20 JKED CC(C)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 571779410 RQPZNQWSVQNWLC-KRWDZBQOSA-N 479.410 5.789 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC[C@@H](O)COc1ccc(C#N)cc1 577409806 JYYGTGGGFMQDCK-QHCPKHFHSA-N 482.536 5.100 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1F 590234402 FQHHGHWHWYZIEM-UHFFFAOYSA-N 460.353 5.242 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC1 592545821 XVCRAZMAUGFDBU-RUZDIDTESA-N 485.588 5.017 30 20 JKED N#Cc1ccccc1OCc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)c1 594668889 VQYQVNQELJZTLI-AIQXTLEGSA-N 477.608 5.120 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2n[nH]c(/C=C\c3ccccc3)n2)n(Cc2ccc(F)cc2)c1C 598953246 ODCUXBKZFHHRRU-RAXLEYEMSA-N 486.576 5.183 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 603520705 IATQELYHUFFZQB-UHFFFAOYSA-N 478.936 5.021 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1 603591746 RRSYMRNUUXLZIU-UHFFFAOYSA-N 497.382 5.272 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)c2cccs2)cc1 603705476 FZJOUWWKKOJXOI-RUZDIDTESA-N 496.592 5.604 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])n2)cc1 603836659 WUEASXGNPWIIRK-MRXNPFEDSA-N 461.421 5.458 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 603837475 KWRNXBSIDLZCSB-UHFFFAOYSA-N 498.461 5.374 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 603930797 QTVKMQLVIWEGOX-VWLOTQADSA-N 486.568 5.319 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCC3(c4cccc(C(F)(F)F)c4)CCOCC3)cn2)c1 604362061 FFXMZIIRKHHOAL-UHFFFAOYSA-N 496.489 5.634 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 604562139 YZNHZOULPCJYOC-OAQYLSRUSA-N 466.541 6.252 30 20 JKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609058499 XYBSCGKEFUTJFT-UHFFFAOYSA-N 451.482 5.543 30 20 JKED Cc1ccc(N(CCC(=O)Nc2ccccc2SCCC#N)S(=O)(=O)c2ccccc2)cc1 609378711 DRLZMTYPJZZKTJ-UHFFFAOYSA-N 479.627 5.225 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427219 WXMLSIZINBTUSM-UHFFFAOYSA-N 484.533 6.275 30 20 JKED C=CCN(C(=O)CCS(=O)(=O)CC(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 611787933 BWEKPNSYHTVPND-UHFFFAOYSA-N 461.436 5.097 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2Cc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 612764689 NTTDVHFPUCLYOO-UHFFFAOYSA-N 499.427 5.414 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N1CCSc2ccccc21 613426946 LTZWQHHEIWJQQA-INIZCTEOSA-N 487.050 5.316 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccccc1C(F)(F)F)C1CC1 616090140 MCDGNBOTVDHFLL-CHWSQXEVSA-N 476.383 6.289 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1OC 620760014 LQRPQVRGSLWQJP-QHCPKHFHSA-N 481.390 5.492 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485404 MVUOSFLLPDWNFB-BJOHPYRUSA-N 475.355 5.604 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 622571712 FWMOHDCIPLJDJA-QMMMGPOBSA-N 459.337 5.425 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281351 CAWLXWZSNIUTHH-XLIONFOSSA-N 486.380 5.724 30 20 JKED Cn1ccnc1[C@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccc(F)cc1 642339790 STUVFCKABRLWGF-IEBWSBKVSA-N 461.381 5.310 30 20 JKED C[C@H](OC(=O)c1ccc(-c2ccccc2Br)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 726023342 TUOKPMQXELSGPW-ZDUSSCGKSA-N 498.402 5.060 30 20 JKED C[C@H](OC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 726025074 RZICAKTXDHCPEM-KKXNLOMOSA-N 499.677 5.014 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1nc(C)c2ccccc2n1 726395575 ABWCUOFARUQPRG-DEOSSOPVSA-N 495.608 5.407 30 20 JKED N#C[C@H](C(=O)CCCCCc1ccc(I)cc1)C(=O)Nc1ccccc1Cl 726857884 BCAPNRMAJOPLGI-QGZVFWFLSA-N 494.760 5.395 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccco2)cc1Cl 726889511 FPSWGXLNWMDMKW-OAQYLSRUSA-N 483.977 5.411 30 20 JKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728029538 WRGKZNFNVMKKRV-KRWDZBQOSA-N 457.917 5.244 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(F)c(Cl)c2)cc(Br)c1OCC(=O)N(C)C 728158498 QCAVGICKAWAVSO-YVMONPNESA-N 484.749 5.003 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(C)n1-c1ccc(C#N)cc1 728272672 FAOWRGWQPILTLC-VWLOTQADSA-N 472.976 5.207 30 20 JKED O=C1/C(=C\c2cccnc2Cl)CC2(C/C1=C/c1cccnc1Cl)C(=O)Nc1ccccc12 728699925 ZJFGMBBQCJJGKG-WHYMJUELSA-N 462.336 5.503 30 20 JKED CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)Cn1cc(C#N)c(=O)c2ccccc21 728704313 DISIQFKQYQKVEH-UHFFFAOYSA-N 485.565 5.034 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1scnc1C 729141951 GIPMSRXUWCWZQE-IBGZPJMESA-N 468.579 5.060 30 20 JKED N#C[C@@H](C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1 729188769 LTXHLHBMGAZIFJ-KBXCAEBGSA-N 489.956 5.133 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](NC(=O)c3ccc(C)cc3)c3ccccc3)n2)cc1 729892661 GADMGBBEHHYOSM-RPBOFIJWSA-N 495.604 5.865 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CCc1c(C)noc1C 730443453 DVABONIDSXIHJQ-DEOSSOPVSA-N 490.629 5.365 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1cocn1 730710886 UJHVTRZSULJHQJ-IBGZPJMESA-N 486.956 5.244 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1[C@H](C)CCc1ccco1 730713537 SZFAQMYDTLUDMC-FOIQADDNSA-N 498.008 5.013 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](c2ccccc2)C2CC2)cc1F 730717995 DSGMWHZDSKQGSW-ZJSXRUAMSA-N 489.576 5.036 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730944194 SJCXEZDUVJRTTM-RDPSFJRHSA-N 472.614 5.728 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 730944228 UDGDHSRWFVESHV-YCRPNKLZSA-N 482.968 5.596 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]c2ccc(Br)cc12 731067922 LUMNXMOGBFIGEU-ZDUSSCGKSA-N 472.364 5.120 30 20 JKED Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cs1 731080779 PZZUMXYWIPMYBV-MRXNPFEDSA-N 451.573 5.308 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cscn3)C2=O)cc1 747601960 XDVOSESLKJTFGW-OAQYLSRUSA-N 464.616 5.229 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)c3cnn(C(C)C)c3n2)c(C)s1 836626904 HUQDZLRXPIFUGJ-XMMPIXPASA-N 499.596 5.192 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1C 837299763 MJNPGIJOSOYWRO-JPYJTQIMSA-N 476.577 5.559 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N([C@H](C)c3cccnc3)C2=O)c1 837643504 PMXZRTCGNUQAHM-NTKDMRAZSA-N 488.613 5.429 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H](C)c1ccccn1 838496188 ORSMUVOGGXKFIW-KSFYIVLOSA-N 495.004 5.465 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 914501506 AIMZZSWNGNWYJQ-SREVYHEPSA-N 456.386 5.284 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3cc(OC)c(OC)cc3Br)cc2c1C 914773480 JAZTUVJRIBXYQB-AATRIKPKSA-N 476.348 5.067 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nn1-c1cccc(C(F)(F)F)c1 915085987 DREILLLISSCMKR-QHCPKHFHSA-N 488.469 5.468 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)CCC(=O)c3ccc(C)s3)n2)cc1 915099903 GCAODPXMVQCFSY-IBGZPJMESA-N 450.585 5.677 30 20 JKED COc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCC(F)(F)F 915683874 LLJDHKJRMNFMAA-NRFANRHFSA-N 469.463 5.613 30 20 JKED Cc1ccccc1OCc1nn(CN(CCC#N)Cc2cccnc2)c(=S)n1-c1ccccc1 915796103 XZFOKWACALJYQN-UHFFFAOYSA-N 470.602 5.059 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1Cl 916211144 KMJGORHJAGZDFW-SFHVURJKSA-N 492.359 5.886 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1 916546013 AWTHSGLPFVHARN-UHFFFAOYSA-N 497.049 5.066 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc(F)cc1F)c1ccc2c(c1)OCCO2 916548049 XFVQHYUBTIOXGC-UHFFFAOYSA-N 468.525 5.704 30 20 JKED N#C[C@@H](C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 916628114 MCWQQBMVGTXVHK-NRFANRHFSA-N 499.979 5.869 30 20 JKED C#CCOc1ccc(Br)cc1CNCc1ccc(Oc2ccccc2OCC)nc1 916835426 CQLKPHSYAILYPC-UHFFFAOYSA-N 467.363 5.337 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)nc2ccccc21 916843302 BEYFETQSUBPTLR-SFHVURJKSA-N 454.580 5.965 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 916888789 YWOMHJBOXJXMRJ-QGZVFWFLSA-N 495.536 5.272 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2c(s1)-c1ccccc1OC2 916904517 FTHDRVNUNYBDDJ-HXUWFJFHSA-N 466.518 6.061 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1nccn1-c1ccc(C)c(C)c1 916905122 AGUOUVMKGYOKKX-QFIPXVFZSA-N 460.603 5.054 30 20 JKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc2)cc1 916910066 PVJNTJZMGLCKNB-JOCHJYFZSA-N 460.961 6.178 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 917024882 BNICCMXLLFNNJS-HXUWFJFHSA-N 459.600 5.483 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C 917042585 GLTUQKFOHYSNNT-INIZCTEOSA-N 487.532 5.481 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(Cc2ccc(F)cc2F)C2CC2)c1=S 917476747 BCYDIVPGBHMMQS-JOCHJYFZSA-N 470.545 5.013 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1SCc1csc(C)n1 917505916 RUSWSHRZBQFMEQ-GOSISDBHSA-N 481.599 5.071 30 20 JKED CCc1c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)oc2ccccc12 917559674 MRGJQPFEBPXZLL-JLHYYAGUSA-N 450.947 6.686 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cs1 917562355 FUNHBQFICKVABT-MDWZMJQESA-N 452.551 6.288 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccn2)C1=O 917702191 CJYVOIWOXYSKCV-JOCHJYFZSA-N 489.988 5.076 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1F 917702929 XICYETIPLGQNOG-NZQKXSOJSA-N 477.561 5.118 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccccc1C#N 917705034 SXJYYKTWZPVLQR-NRFANRHFSA-N 485.009 5.289 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1 917757623 UJDZGRHZWICJNI-UHFFFAOYSA-N 491.352 5.137 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)C(=O)Nc4ccc([C@H](C#N)c5ccccc5)cc4)CC3)c2c1 918443781 HHORBVHLVDKVGT-AREMUKBSSA-N 490.563 5.086 30 20 JKED C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 918580019 BNQGQLVOFVLCDA-KRWDZBQOSA-N 463.990 5.303 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2ccccc2n1C 920103213 QDOXBBADDKSELI-YOEHRIQHSA-N 450.951 5.380 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 920111318 LYUWQPVQEMAPEF-NIYFSFCBSA-N 451.526 5.612 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(F)(F)F)c2)s1 920171291 SKGYNOCZDRNTRS-SCLBCKFNSA-N 481.565 5.437 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@@H](C)c2ccc(C)s2)C1=O 920172369 HMUCTHWLKNXDJR-KSFYIVLOSA-N 497.617 5.926 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 920807201 ZUHWNVKCVZFWSX-DYVFJYSZSA-N 457.527 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4ccccc4c3Br)CCO2)C1 1779243580 YUAIWMOLENMFDP-AREMUKBSSA-N 499.449 5.038 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)C1 1780919595 OGGRVALUAVTTDM-SNYIIPAISA-N 498.973 5.255 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ncn(C)c3C(F)(F)F)CCC2)cc1 1785841910 CUEQTRHRSQMIDR-UHFFFAOYSA-N 462.516 5.179 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OC4CCOCC4)n3)CCC2)cc1 1786102954 IAWBHWJCYHOGPN-UHFFFAOYSA-N 489.616 5.156 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4Cc5ccccc5CN4C)cc3)CCC2)c1 1786682516 JUOVJANDPSDGLZ-RBTNQOKQSA-N 492.623 5.118 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccnc4)cc3)CCC2)c1Cl 1786924809 NGNMUMVHAQFVKK-KPKJPENVSA-N 456.933 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnn(C)c4C(F)(F)F)cc3)CCC2)c1 1787020854 UVMAGURVVQCIJZ-MRXNPFEDSA-N 495.505 5.127 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(F)c4)cc3)CCC2)cc1 1787792831 VHWSKIFBBAOLCH-UHFFFAOYSA-N 459.496 5.021 30 20 JKED CN(CC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1)C(=O)OC(C)(C)C 1787821543 PKFBIQUSXUPXBP-UHFFFAOYSA-N 499.728 5.039 30 20 JKED CC1(C)CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)C1 1788359009 PZGJBMCYVYLLRG-UHFFFAOYSA-N 470.495 5.156 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3F)CCC2)cc1 1788649978 LJIFWLAPNYPOFM-ZHACJKMWSA-N 480.536 5.142 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4c5ccccc5n5ccsc45)CCC3)cc2)c1 1790147077 CVJMEHAFVKWFOM-UHFFFAOYSA-N 479.565 5.415 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)(F)F)c4)CCC3)cc2)ccc1F 1790518913 ABODEPFERHREQN-UHFFFAOYSA-N 496.464 5.102 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790979114 WLHFGZVIJQQCBA-KRWDZBQOSA-N 478.980 5.437 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)CCC2)cc1 1791726352 RDVBSWFGRALTOZ-ZJSXRUAMSA-N 495.664 5.207 30 20 JKED C[C@H](c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc(C#N)c2)cc1)C(F)(F)F 1792940340 FRZWTOYEKHZIGF-FUJBWUKOSA-N 497.561 5.038 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(F)F)cc2Cl)c(Cl)c1 1799251028 UNSQNAYTSYAJHC-QDMKHBRRSA-N 494.325 5.032 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 1799839687 ABXURHNETQLSIR-GFXRCKTOSA-N 488.672 5.138 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1802501094 SPNAVJLCBAGIRB-DHLKQENFSA-N 498.067 5.834 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc5ccccc45)CC3)C2)c1 1805328424 WKAMWAZGZIUOPB-UHFFFAOYSA-N 465.597 5.189 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1805524793 VKCOEORIAUJVPC-AUSIDOKSSA-N 488.129 5.167 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)C2)CC1 1807633332 BOCBZRJBULVSDS-SFHVURJKSA-N 488.554 5.153 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)C2)CC1 1807750594 MRRAUKXVPRXSMH-SFHVURJKSA-N 488.554 5.153 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1808162191 WTPHPJHCJIXLAC-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccoc2C(F)(F)F)[C@@H]1c1cccnc1 1808575433 XIBYERYWEHDJBK-MJGOQNOKSA-N 463.500 5.005 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1808864006 LVOSXQUXXVUPAC-DYRZZGSRSA-N 498.583 5.102 30 20 JKED CC1=CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC1 1809487816 GAZXQWJTBQSGBE-LEEZEASISA-N 496.533 5.038 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc3sccc3[nH]2)[C@H]1c1cccnc1)c1ccccc1 1810019394 IREJENQDAJYKML-VMODYCNZSA-N 496.636 5.141 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1810168171 FQSZTHWAKCEMOT-CMYGGTMGSA-N 468.601 5.051 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1)c1ccccc1 1810443196 DUMBASCLXPCWQV-HPUNYJORSA-N 491.591 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c4nccc-4c3Cl)C2)CC1 1810682724 HNBDCDHRXKZKHR-UHFFFAOYSA-N 457.018 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1810758360 CPFCAKPBNBNBAZ-RBBKRZOGSA-N 489.538 5.292 30 20 JKED CCC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1)n1cccc1 1810936448 QXNYTMBBTHOTNR-DHLKQENFSA-N 460.622 5.001 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H]1c1cccnc1 1811579448 VJKMLENEDCBTNL-VLUSQRCCSA-N 493.611 5.157 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@H]1c1cccnc1 1812955809 DQVHZSSTZJPJPK-GEQKSPFYSA-N 486.443 5.338 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1813048738 RXVHRXWKMSGLLC-WZONZLPQSA-N 466.006 5.073 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1813941861 YYFGEFLAUJYFRI-JTSKRJEESA-N 475.967 5.325 30 20 JKED N#CCC(=O)N1CC[C@H](CNC(=O)CCCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814149120 RBAGVNAYUFNINA-OFSOJUDTSA-N 488.676 5.755 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1814829457 QKRWREKPHDMMDH-QFIPXVFZSA-N 465.985 5.619 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1)c1ccccc1 1814931850 QWUSFPNMZJOGIB-UKILVPOCSA-N 473.552 5.166 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815532924 BSRUQFQJTASONQ-VIOKTNGOSA-N 490.526 5.117 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c(C(C)(C)C)c3)n[nH]2)c1 1816111839 VERTUHLWPMUVJX-VGOFRKELSA-N 472.593 5.282 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]n1 1817119668 HTLXLUJPEZQGBR-RUZDIDTESA-N 478.556 5.235 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/C(=O)c3cccs3)sc2C1 1817286194 HRZQLZDJDDBPFT-BOLDSZDNSA-N 497.642 5.068 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818164174 YYDKNJAPKGVKMK-PGRDOPGGSA-N 487.025 5.583 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818210705 MMIQPQDNMDUYSG-MRXNPFEDSA-N 452.477 5.320 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)ccc2n1 1818676870 RMJBPLGLDXSXHP-HFJWLAOPSA-N 492.583 5.513 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)n[nH]1)C(F)(F)F 1818931486 PXBAXQKHYQOAHN-YWTNHNAXSA-N 452.521 5.127 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)[nH]n1 1819310234 UQDLAJXZOZINFL-FPOVZHCZSA-N 489.542 5.217 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](c1ccccc1)N(CC)CC)CC2 1820100467 JCVLPDFEERGWON-REWPJTCUSA-N 482.694 5.131 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occc4c3O)[nH]n2)c1Cl 1820221273 SKIBYKGZSIWVKX-IBGZPJMESA-N 489.919 5.006 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)c(Cl)c1 1820563278 AVTBDTXNGVIVOR-FQEVSTJZSA-N 468.344 5.208 30 20 JKED C#CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4occc4n3-c3ccccc3)sc2C1 1821171138 DTHKUEPQQJTAFX-GOSISDBHSA-N 486.597 5.099 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccnc4ccccc34)[nH]n2)c(Cl)c1 1821278625 VMQBRIOQFHPVET-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sc(C)cc3[nH]2)n[nH]1 1821440288 DKUAZMOIRCRETB-UZLBHIALSA-N 451.596 5.335 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CC[C@H](C)CC3)n[nH]2)cc1C#N 1822945786 UJBZUNITYXDRAS-YDHSSHFGSA-N 477.609 5.201 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825767117 ZZQYJPDAAQSBRK-OAQYLSRUSA-N 471.548 5.095 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1826316393 DYLPNVCGBKQBRX-ZEQKJWHPSA-N 461.581 5.124 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(C)ccc4[nH]3)CC2)c1 1828123643 ZOGYHAUXWQALRU-MHZLTWQESA-N 468.601 5.204 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1828828563 LWWSMMRRTNGPCP-XUZZJYLKSA-N 465.663 5.606 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(OC)cc2F)CC1 1828830511 ODHJORIIUSSGEJ-WZPMNBOYSA-N 468.613 5.236 30 20 JKED CNc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1828904960 FYDREPJWVHMACW-VWLOTQADSA-N 467.730 5.013 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829007964 CYQKHQBHROUXAQ-VYNOCKSYSA-N 482.741 5.662 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830418312 TZSCAZHRKICKQW-FOIQADDNSA-N 486.415 5.167 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(NC(=O)OC)c2)CC1 1830444498 PVFOTVLESOHYPY-QHCPKHFHSA-N 469.626 5.091 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1830633263 LHJQJUAXSPUVSE-JOCHJYFZSA-N 485.962 5.231 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1830837002 OACMPEFHPWXFSJ-JOCHJYFZSA-N 469.029 5.218 30 20 JKED Cc1cccc2c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)n[nH]c12 1831006210 XSYWPZPBAKVPFM-CJFMBICVSA-N 483.616 5.046 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)ccc2[nH]1 1831035562 DDQRNRWVUVXYJA-SANMLTNESA-N 472.564 5.034 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1831374619 RHYACZWLAGIVPN-GBXCKJPGSA-N 483.653 5.479 30 20 JKED COc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)S)CC2)cc2ccccc2c1Cl 1831844336 RQZPVXXTGWNPBH-IIBYNOLFSA-N 475.054 5.053 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831925295 BLRDYJPTZNLLLS-RRFVUZEHSA-N 498.667 5.313 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3scnc3C3CC3)CC2)c1 1832633239 AGMCOUZQIXQPLU-FDDCHVKYSA-N 476.646 5.195 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3Cc4ccccc4C3)CC2)c1 1832635565 JLALVDBEIPVPRF-MNNSJKJDSA-N 483.656 5.352 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cc3cccc(F)c3)c2)CC1 1832748169 LAQFHDAUKQETKE-HHHXNRCGSA-N 460.593 5.063 30 20 JKED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)c1 1845279003 WSUUPDHSHJQPPH-NDEPHWFRSA-N 499.561 5.206 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCC(=O)OC)C1 1847096149 CMOJQLSPELSYEF-HSZRJFAPSA-N 460.659 5.032 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C 1847532282 QOZSYSZAGUDENW-GOTSBHOMSA-N 481.637 5.234 30 20 JKED C=CCc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc(OC)c1OC 10236020 FSDSHUFNUCANRB-UHFFFAOYSA-N 456.995 5.715 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(OC)c2)cc1 11259951 JEQYVYHEGVSCJD-UHFFFAOYSA-O 469.577 6.215 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11262857 AKCJNFZUWTUMJB-UHFFFAOYSA-O 462.639 5.858 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)COc3c(Cl)cccc3Cl)s2)cc1 14621372 UAYZLEFWGGBVDM-UHFFFAOYSA-N 451.360 5.026 30 20 JKED CC(C)n1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nc2ccccc2c1=O 16798097 QTAGYJFPESMWQJ-OAHLLOKOSA-N 466.632 5.299 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1 21754835 VFYSBYUVJKHFNY-FQEVSTJZSA-N 454.599 5.841 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1Cl)[n+]1ccc(Cc2ccccc2)cc1)c1cc(F)ccc1F 22730378 QQFQSZVFZVHKPV-UHFFFAOYSA-O 493.986 6.547 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1cccnc1 23283333 CQMLDVITCJWGFC-FRQRHGNXSA-N 474.634 5.049 30 20 JKED COc1ccc(CCn2c(SCCC#N)nc3scc(-c4cccs4)c3c2=O)cc1OC 23600367 BYTCKPYLGVNPHF-UHFFFAOYSA-N 483.640 5.452 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1ccc(Cc2ccccc2)cc1 24566684 FAOWPVHGWZVHFC-UHFFFAOYSA-O 493.652 6.462 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 24648221 SGMHNKCFBUUTRR-UHFFFAOYSA-N 471.605 5.535 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccco1 28504271 ZHLCZOFCSMNOEX-INIZCTEOSA-N 466.563 5.275 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 32039590 ACBYDEMRBOLFFG-VXGBXAGGSA-N 484.437 5.809 30 20 JKED COCc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cccc(F)c12 32040500 KPDULGMDGKCSSQ-NXEZZACHSA-N 457.411 5.826 30 20 JKED Cc1sc2ncnc(SCC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2c1C 32288221 WKAGVQHZYRVJBQ-UHFFFAOYSA-N 460.584 5.490 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 68766904 PIBFKWZNECLTSO-GOSISDBHSA-N 492.442 5.728 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1 116525035 APAQAESXUVKPAL-UHFFFAOYSA-N 491.960 5.324 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nnco3)cc2)c1 481932034 OSOHVBAXBHFHDT-UHFFFAOYSA-N 494.960 5.024 30 20 JKED COc1ccc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1OCCCC#N 494066989 TZFAHZZMDHMRIH-FOWTUZBSSA-N 455.436 5.051 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1C 498602344 VYNNIFFVCGYRTP-UHFFFAOYSA-N 488.485 5.750 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 500752440 FZTDFUPTQASDIN-UHFFFAOYSA-N 495.626 5.076 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CCN3CCCCC3)cc2)cc1C 501236777 GKIXMPMPTNORPS-UHFFFAOYSA-N 455.606 5.361 30 20 JKED N#Cc1cn(Cc2csc(Cc3ccc(Cl)cc3)n2)c2ccc(Br)cc2c1=O 502817265 LPJMFSORMXRCCH-UHFFFAOYSA-N 470.779 5.385 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 503530910 OHGVQOUYDSVYMR-MRXNPFEDSA-N 464.497 5.553 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 506565400 ZBQDEKAKNHTQSN-UHFFFAOYSA-N 466.541 5.348 30 20 JKED COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2nccn2C)c1 510506569 SDAOQYNJJDDBQO-RUZDIDTESA-N 483.528 5.012 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)CC1 512301996 KRUVOVNTJPNKDW-UHFFFAOYSA-N 476.920 5.502 30 20 JKED C[C@@H](Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1)C(=O)N(C)CCC#N 513247303 MQXPLAFKIJMUTD-OAHLLOKOSA-N 477.977 5.458 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 515294611 KAAIINADBJUVRS-OAHLLOKOSA-N 453.420 5.235 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(C)cc4)c3C(F)(F)F)n2)cc1 516269844 ABRANEKUOXRYLW-SFHVURJKSA-N 482.487 5.822 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(I)c3)n2)cc1 517800945 RFGSOQNSXIXCAK-CQSZACIVSA-N 494.741 5.567 30 20 JKED CCOc1ccc([C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1OC 518801816 JPMPAUNSZCXLOU-SFHVURJKSA-N 489.597 5.187 30 20 JKED CCn1c2ccccc2c2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)ccc21 518902309 DGOUNCGWQPJUOY-UHFFFAOYSA-N 478.512 5.752 30 20 JKED C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 521223603 HHTPTGKNFDGKPN-ACSYHNTCSA-N 486.575 5.411 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 521810273 KFPYGYVOJUCKDD-FQEVSTJZSA-N 467.598 6.255 30 20 JKED C=CCc1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)cc(OC)c1OC 522360258 RMWANXUTPZYCRD-JOCHJYFZSA-N 453.579 5.077 30 20 JKED COc1c(C)cc(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C 522521647 QCKOYSIYRSRDCJ-HSZRJFAPSA-N 475.976 5.218 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 522952046 GCVUFBQOXSJNEN-UHFFFAOYSA-N 496.567 5.448 30 20 JKED C=CCN(C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 524168199 KUJFXORPDSGPBV-MSOLQXFVSA-N 460.665 5.585 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2Cl)c1 524441346 CNKLVSFJDLMTMB-UHFFFAOYSA-N 485.975 6.078 30 20 JKED CN1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@H](c2ccccc2)C1 556503945 IFGBFUZSHGGLFC-DEOSSOPVSA-N 460.965 5.311 30 20 JKED COc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cc1 560902443 YBEQNMTZGFIXSC-UHFFFAOYSA-N 478.622 5.110 30 20 JKED C=CCN(C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596293499 BWZOKONNUAGQIL-OALUTQOASA-N 450.612 5.183 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 602751260 WPADOMSOLOJSGE-UHFFFAOYSA-N 464.450 5.340 30 20 JKED Cc1nc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)sc1SCC#N 603775908 YOSVRXMSIYCZSA-UHFFFAOYSA-N 480.018 5.885 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)o1 603946875 FJTYLLOYSHLTNG-UHFFFAOYSA-N 457.467 5.959 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 603997735 JARSNUNONAEJBN-FQEVSTJZSA-N 450.926 5.040 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 604499756 NOYYJSSKSKKANM-UHFFFAOYSA-N 496.489 5.510 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 609061587 FANRZFPKQMQGLT-UHFFFAOYSA-N 495.539 5.468 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 609078530 WRBAEWDQLDKOQZ-HSZRJFAPSA-N 468.557 5.328 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)c2)cc1 609399003 CVXYYKZUINCATO-MUUNZHRXSA-N 464.569 6.572 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 609414910 CLGJQEVYMIEMDE-HXUWFJFHSA-N 466.006 6.254 30 20 JKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(Cl)c1Cl 609416409 SJWWFRKQSADTPY-MRXNPFEDSA-N 470.303 6.059 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)cc2)c1 609427326 ZJJHKQCBMKWWGD-UHFFFAOYSA-N 461.468 5.120 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 612805717 NJOKRENJMGWCBM-KBPBESRZSA-N 476.383 6.289 30 20 JKED N#C[C@H](C(=O)c1ccn(-c2ccccc2F)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344729 OKQPNHSQKRRGTO-CQSZACIVSA-N 457.317 5.932 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)nnc1-c1ccoc1C 613908711 YMHSJSUZKSUOBN-UHFFFAOYSA-N 471.586 5.458 30 20 JKED FC(F)Oc1ccc(Br)cc1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 621269688 WYHZSQZNNNRACI-NXEZZACHSA-N 456.171 5.613 30 20 JKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 622354724 DCVXLEWWKIJOGS-UHFFFAOYSA-N 477.336 5.595 30 20 JKED C=CCOc1c(Br)cc(CNc2ccc(N=S3(=O)CCCC3)cc2)cc1OCC 630061927 ZMRPTRJFCSVATP-UHFFFAOYSA-N 479.440 5.918 30 20 JKED COCc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2cccc(F)c12 642157783 KPDULGMDGKCSSQ-URLYPYJESA-N 457.411 5.826 30 20 JKED COc1cc(C=Nn2cnnc2-c2ccccc2)ccc1OCc1cccc(C(F)(F)F)c1 725855792 GWJFNTOSTYGBTH-UHFFFAOYSA-N 452.436 5.434 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(Cl)c2)cn1 726116566 GGYBMEUIFOPRFD-QFIPXVFZSA-N 496.036 5.334 30 20 JKED CCn1c([C@H]2CCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc2ccccc21 726307144 MCABSJPHXFGYBH-ZEQKJWHPSA-N 477.568 5.014 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)cc1Cl 726409418 SBQBZIZHTUBQRU-FQEVSTJZSA-N 498.992 5.573 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N/[C@H](C)c1cccs1 726421570 NXOCZPGYFDQQRE-JEWPTACZSA-N 459.637 5.337 30 20 JKED COc1ccc(-c2nc(SCc3nnc(-c4c(Cl)cccc4Cl)o3)nc(O)c2C#N)cc1 726431847 RIOONEYKXWJXFD-UHFFFAOYSA-N 486.340 5.379 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)cc1 726942129 RBQRUJIAFVNZBH-UHFFFAOYSA-N 488.396 5.663 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1Cl 728776463 BYKLCAAOUYUAKI-IBGZPJMESA-N 493.391 5.787 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1cccc(Cl)c1 728779344 YPVZTSKTUQZMIU-IBGZPJMESA-N 475.401 5.648 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(OC(F)(F)F)c2)cs1 730948876 NWPWRSDYZSWSFF-JXMROGBWSA-N 466.868 6.276 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 731072606 NUABCSAYEWWPNQ-LLVKDONJSA-N 491.318 6.202 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(F)c2)c1 731312781 PBGHWYZOEIQPDV-JOCHJYFZSA-N 499.514 5.278 30 20 JKED C#CCN(C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12)C1CCCCC1 744812338 LJUGBMMVFZNUMN-XMMPIXPASA-N 459.590 5.295 30 20 JKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)c2)C1 745136338 YBNUEYFAHJYUNH-NFBKMPQASA-N 497.661 5.020 30 20 JKED COc1cc(C(=O)/C=C/c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)ccc1S(C)(=O)=O 747061129 FOUZUMHUXXLCHZ-NTUHNPAUSA-N 490.556 5.295 30 20 JKED N#CCSc1ccccc1C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 749868899 AIBDCZFOKWTDGK-UHFFFAOYSA-N 478.442 6.322 30 20 JKED Cc1c(C#N)c(NC(=O)CN2CCC(c3nc(C(C)(C)C)cs3)CC2)n(Cc2ccco2)c1C 750068419 UFGUYXASLOENSX-UHFFFAOYSA-N 479.650 5.190 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2SCc2ccccc2)ccc1OCC(F)(F)F 750934807 JMTKICUZIVPMOD-UHFFFAOYSA-N 468.526 5.081 30 20 JKED C[C@@H](OC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)C(=O)Nc1ccccc1C#N 763076900 ZLPICXGTZDOYTG-QGZVFWFLSA-N 455.489 5.349 30 20 JKED N#Cc1c(N)sc2c1CCN(c1ncnc3scc(-c4ccc(Br)cc4)c13)C2 796502630 GGWUNEMKJBIVSC-UHFFFAOYSA-N 468.405 5.199 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(CC(F)(F)F)C1=O 799212294 XBAHYOUIUXGYFE-KRWDZBQOSA-N 499.942 5.488 30 20 JKED COc1cc(C=NNc2ccccc2F)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 812458437 CHDWQQSGXYJUJS-UHFFFAOYSA-N 461.415 5.317 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)CCc2ccco2)c1 837349374 WSEZEDJMJIGQAO-GAJHUEQPSA-N 495.576 5.409 30 20 JKED COc1cc([C@H]2CC(c3cccs3)=NN2C(=O)CON=Cc2cccs2)ccc1OC(F)F 852108036 ZTTGWCYFMKTWNV-QGZVFWFLSA-N 491.541 5.148 30 20 JKED Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 883977990 CRJISLTYTRPLJB-CHWSQXEVSA-N 490.391 6.340 30 20 JKED CC(C)OCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1Cl 914551473 DTKNFJRTDRUWFP-QFIPXVFZSA-N 486.037 5.065 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H](C)c2cc(C)sc2C)C1=O 914690805 FUOXQJOUYIFOFE-PXAZEXFGSA-N 483.631 5.508 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2F)cc1 914773119 YCCHQLOWCCZIBD-HSZRJFAPSA-N 495.551 5.272 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3cccc(NC(=O)c4ccco4)c3)n2)cc1 915100477 RVGVTVRRXNBUJZ-HXUWFJFHSA-N 457.511 5.219 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915107343 QQVYFMNVJJSPPR-CQSZACIVSA-N 476.277 5.042 30 20 JKED CC(=NNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc(-c2ccccc2Cl)s1 915111281 FZCZTFRUGPBAFH-UHFFFAOYSA-N 461.012 5.084 30 20 JKED C[C@@H](OC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)C(=O)N(CCC#N)c1ccc(F)cc1 915581804 MBXXFFPGPGLPAZ-MRXNPFEDSA-N 492.551 5.320 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1cccc(OCC#N)c1 915710491 FKQUTAQPTZIMJH-UHFFFAOYSA-N 451.548 5.292 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 916050496 BTOSLTUSDOARTF-HSZRJFAPSA-N 468.557 6.221 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc(OC)c1OC 916137899 MUGKUJZRWKEXRK-WMZJFQQLSA-N 453.422 5.448 30 20 JKED CCOc1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)ccc1OCCOc1ccc(F)cc1 916154635 PSWUWZQKLLYNCK-XQNSMLJCSA-N 470.566 5.185 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)cs1 916352643 SULDUOHSTGDSFG-IQUTYRLHSA-N 464.060 5.104 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916907324 LWZJFUXKXJWTRF-QFIPXVFZSA-N 499.661 6.675 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OCC 916919612 YMSWHOFCRVQJMY-HXUWFJFHSA-N 464.949 6.032 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997527 VOGBEZZCKGVMQN-KRWDZBQOSA-N 470.406 6.659 30 20 JKED N#C[C@@H](C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1nc2ccccc2n1C(F)F 917039779 DAHGITKKJAZCOO-WMZHIEFXSA-N 455.468 5.615 30 20 JKED N#C[C@@H](C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F 917041133 QDSHSMWUCYXLTB-ACSPXDACSA-N 465.862 6.641 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCOc3cc(Br)ccc3C2=O)cs1 917560154 HYIXMUUHUPIGHO-WJDWOHSUSA-N 483.387 5.947 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)NC(C)(C)C)cc1 917613173 FBLMTOXDJSANJI-UHFFFAOYSA-O 468.687 5.883 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1F 917686963 IUHYOGWUAUPHPL-FQEVSTJZSA-N 471.554 5.495 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccc2C)C1=O 917703113 LUTSFZMBCCGGGE-DEOSSOPVSA-N 484.581 5.036 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 917784018 SIEPUDICGCXDQI-UHFFFAOYSA-N 480.055 5.213 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)o1 919514914 YCYVHVKZZAFFMR-UHFFFAOYSA-N 452.466 5.193 30 20 JKED N#Cc1c(COC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cn2ccccc12 919535832 WPPHYHJSFNPXMR-CUBQBAPOSA-N 463.537 5.034 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140416 GVCZYVLYWPKBSA-QFIPXVFZSA-N 455.518 5.042 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc3c(c2)CCC3)n1 920175718 KTKXTVONFHKPBS-XMMPIXPASA-N 488.588 5.178 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)n1 920326627 BPEBVBASCDVLAN-AWEZNQCLSA-N 499.379 5.520 30 20 JKED CCCC(=O)Nc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1C 920386983 JAWAMYCSZLEWRR-UHFFFAOYSA-N 454.162 5.715 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 920457475 QEQPAFGEXZWKIE-OAOOKAIFSA-N 469.541 5.206 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)cc1 920870938 VOZQAVNKAIVCML-MHECFPHRSA-N 491.613 5.091 30 20 JKED COc1cc(/C=C/C(=O)c2cc3cccc(OC)c3o2)c([N+](=O)[O-])cc1OCC(F)(F)F 921260543 BSXSEYMIYWTMMI-VOTSOKGWSA-N 451.353 5.195 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC(C)C)c(Cl)c2)C1 1780856301 RDUGURCXRRSUFS-SHQCIBLASA-N 489.056 5.023 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCOc4ccc(Br)cc4)cc3)CCC2)C1 1785747322 MXMBOZBIPSNWML-UHFFFAOYSA-N 483.406 5.318 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785793000 OULRPPLYPWLGHP-JOCHJYFZSA-N 465.981 5.142 30 20 JKED COc1cccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)c[nH]2)c1 1787037017 FPSHKBNGRGPQMU-UXHLAJHPSA-N 496.567 5.150 30 20 JKED CC(C)N[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1)C(C)C 1788126817 KAITXPKEJBKWJK-CPJSRVTESA-N 460.622 5.084 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccco5)no4)cc3)CCC2)c1 1788419677 KPBRITVAZJFCFF-SFHVURJKSA-N 480.524 5.623 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1789494321 QCFWTOHLQDQCCC-DEOSSOPVSA-N 498.583 5.144 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1790512917 VLOYOABUSWTPFE-UHFFFAOYSA-N 496.563 5.843 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1 1790705249 NDTZTAIMTNXTLR-SXOMAYOGSA-N 479.580 5.313 30 20 JKED Cc1ccc(NCCC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(C)c1 1790706863 XRASOZMBJSSYAV-UHFFFAOYSA-N 480.612 5.619 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cc6ccccc6o5)CCC4)cc3)c2c1 1790835254 ZROLNQALZGEJBK-UHFFFAOYSA-N 475.508 5.242 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC[C@H]4C)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681576 YJZVBKMHCMAQDR-OIBXWCBGSA-N 481.637 5.122 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c(C5CC5)c4F)CCC3)cc2)c1 1792122237 HFUNNTQHDQZOCJ-MRXNPFEDSA-N 471.536 5.115 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cnc2ccccc2c1)c1ccccc1 1792928292 CKMITPNWWCCBDB-JUDWXZBOSA-N 479.624 5.003 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3c(Cl)cccc13)C2 1798420856 PGTPDEKIGYAEQD-REPLKXPHSA-N 470.089 5.124 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)c1 1799603305 ZUPNRLMWEKUXJY-KOUNCHBCSA-N 480.593 5.334 30 20 JKED N#Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)cc1 1802389932 WWOHEUORMMPPJX-ZAVWCACUSA-N 498.671 5.198 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@H]1c1cccnc1 1802490398 CIPPPCGGNGILLP-FUCAVZNHSA-N 481.587 5.162 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c[nH]c(-c4ccc(F)cc4)c2)C3)c1 1803673835 XEHSYGRYTBCOKT-YLWQFCGDSA-N 470.548 5.013 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)C1 1806025683 OMWJIAOINZCUNZ-QHCPKHFHSA-N 485.628 5.042 30 20 JKED N#CCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)[C@H]1c1cccnc1 1806286087 ZPEHMBUSQCZJHN-BTYSJIOQSA-N 490.563 5.260 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1810171512 GDCRUNFAXZRTGJ-ARNLJNQMSA-N 486.641 5.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1810171677 GYODCOOYNJVDDH-FBLLAGFSSA-N 457.574 5.224 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1810174283 MORVQKWNESRHOR-MZKUHISZSA-N 451.655 5.462 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1Cl 1810267699 NWLLCPIRFDGBJY-JYFHCDHNSA-N 496.127 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1810502681 KIFDRICRAWEQFU-WMMXXEOUSA-N 453.671 5.686 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810588763 VDXYEUPFJUWASC-RDGATRHJSA-N 498.067 5.834 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811439857 YJALNWOUOGRDTF-HOFKKMOUSA-N 489.616 5.127 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c1 1813868643 PGOIVVSSBQHZNX-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1813870095 XPBULBSOLQXWSB-GVCORALISA-N 487.003 5.304 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)[nH]n1 1814443226 QZMGBFCANKMILO-SFHVURJKSA-N 465.520 5.065 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815532923 BSRUQFQJTASONQ-RJRNSMGGSA-N 490.526 5.117 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(OC)cc2Cl)n[nH]1 1815694823 VCRCTNAPSMZGMB-JOCHJYFZSA-N 471.001 5.075 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1817742703 WCZKQGYSBFXJME-VWLOTQADSA-N 490.567 5.272 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)[nH]n1 1819301944 WLLARYVGXAHMED-IIBYNOLFSA-N 458.965 5.205 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1819308954 JATBFLIYEALKTM-JPYJTQIMSA-N 477.996 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)[nH]n1 1819554983 VONMZTXZDHXXPK-NRFANRHFSA-N 469.536 5.468 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(Cl)s2)n[nH]1)c1ccccc1 1819915624 JSBJRKKEHAFISM-HKUYNNGSSA-N 482.009 5.023 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1Cl 1820219128 KKZZTZDZAWNBQG-VDZCTEQFSA-N 499.958 5.700 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(F)c(Br)c2)n[nH]1 1820688014 SPXFSFAQVFIIRQ-FOIQADDNSA-N 491.405 5.148 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821524303 PMCQRUFHMUQGFD-JOCHJYFZSA-N 469.545 5.260 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc(Br)c3)CCCC2)n[nH]1 1821871343 WLJFYIZPBXKBBS-HXUWFJFHSA-N 485.426 5.252 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccnn3C)c(Cl)s2)[nH]n1 1821920204 HMNHKYVDFQXWHA-RDTXWAMCSA-N 487.029 5.043 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@H](C)c3ccccc3)[nH]n2)c1 1823217463 TUGZPBKWRKLHLH-WZOHSFFVSA-N 469.589 5.536 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(F)c1 1823218718 VDUBVVMENOGIAT-SBUREZEXSA-N 459.525 5.104 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cccc2OC)n[nH]1 1823251944 RSWTZQQPUKFPRK-LPHOPBHVSA-N 456.974 5.146 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c(C)c2C(=O)OCC)CC1 1823751554 ZLCXUGXBQCARFJ-DEOSSOPVSA-N 499.696 5.045 30 20 JKED O=C(c1ccc2cnccc2c1)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824054984 CJBKIHGZGKMLIK-MHZLTWQESA-N 486.015 5.173 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1824501940 XFZRTABVRCDBEW-JOCHJYFZSA-N 484.534 5.061 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824876863 YQOHMWHERPBFHC-LJQANCHMSA-N 496.467 5.810 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1[nH]c3c(Cl)cccc3c1C)CC2 1825252424 DYHFCTAFJTWRCG-LBPRGKRZSA-N 478.952 5.023 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c12 1828549848 PHPAGLKTDCMKED-JIPXPUAJSA-N 482.628 5.651 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1)c1ccccc1 1829033110 UHBXFJVKFINDNN-ISKFKSNPSA-N 499.577 5.464 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829621723 XWBJIXUBXUZXNL-RUZDIDTESA-N 482.628 5.389 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829902468 RQDZJZZQUAEFTE-OXQOHEQNSA-N 468.425 5.028 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1829950743 NPGSHPCKQWVWQR-VWLOTQADSA-N 474.992 5.240 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1829954807 OHWSCEBRSKPWPX-FQEVSTJZSA-N 463.628 5.382 30 20 JKED CN(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c2ccccc12 1829954930 UNOZVSBUMIRQLH-NDEPHWFRSA-N 494.639 5.325 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1830015141 JTAPJNUEGTVGHX-HSZRJFAPSA-N 469.507 5.124 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830628201 PNMXBFFKJPSOFZ-VWLOTQADSA-N 464.009 5.262 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1831367375 JDPYZOPWYTUXLE-NHTMILBNSA-N 491.717 5.148 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)cc2C)CC1)C(F)(F)F 1831453373 SFGQOEYDZNQEPL-IBGZPJMESA-N 487.360 5.109 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1 1832632721 BESTZQAYEJEUHM-FQRUVTKNSA-N 469.585 5.607 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)s3)CC2)c1 1832633786 DTCMGICIYOZRED-UTKZUKDTSA-N 453.583 5.061 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1832633866 OLOHGKDBSQOHDV-RXFWQSSRSA-N 461.581 5.308 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCCC[C@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1832706578 XHBPTVNZUVCWAP-SFHVURJKSA-N 494.451 5.420 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)CC1 1836881782 OLDSDYQDIXYYQG-OAQYLSRUSA-N 495.110 5.121 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)CC1 1838131073 WXAYMBXLZHQRCD-AREMUKBSSA-N 487.644 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)CC1 1838323404 JEVCAHHJNHGGCH-UHFFFAOYSA-N 486.653 5.645 30 20 JKED COc1c(C(=O)N2CC3(CCCN3C(=O)CCCC#C[Si](C)(C)C)C2)cc2ccccc2c1Cl 1844253198 DKCHERDIBFODFW-UHFFFAOYSA-N 497.111 5.370 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)cc1C 16657913 DSKVUTQLTLGBNX-UHFFFAOYSA-N 463.607 5.879 30 20 JKED CSc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1NC(C)=O 16753266 PYXJLPSQJXDYHI-UHFFFAOYSA-N 476.579 5.429 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 16823224 BLWYUQHJURWDEO-INIZCTEOSA-N 463.632 5.452 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(OC)cc1 16864984 BYJGGIRKZQJYII-AWEZNQCLSA-N 462.497 5.278 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nc2scc(-c3cccs3)c2c1=O 16986871 IIFFVWUJSGAILX-GFCCVEGCSA-N 489.594 5.770 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)c(C)c1 20887910 MLIOMPZDGQCHKN-UHFFFAOYSA-O 460.406 5.441 30 20 JKED Cc1ccc(Sc2ccc(C(=O)OCC(=O)Nc3ccccc3SCC#N)cc2[N+](=O)[O-])cc1 22149626 HVZNKXIRWRMKLD-UHFFFAOYSA-N 493.566 5.466 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)NCCc2ccccc2)cc1 22735665 XMDBQSZBXNZYGS-UHFFFAOYSA-O 459.679 6.266 30 20 JKED Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)S1 23724236 VHOBHACOGDOLFR-KGENOOAVSA-N 461.974 6.101 30 20 JKED C=CCN(C(=O)c1cccc(CS(C)(=O)=O)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769974 HEEGJFZOKGMYPY-UHFFFAOYSA-N 481.426 5.494 30 20 JKED N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 28357210 QKFYUQNLWOKCRS-UHFFFAOYSA-N 474.973 5.078 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccco1 29550386 APWOOFAVWMWJLK-LLVKDONJSA-N 456.877 5.516 30 20 JKED CCOC(=O)CSCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 36202021 FSXLQWWTBAIZNB-VQHVLOKHSA-N 470.616 5.534 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1Cl 46861639 FHGRZZAQDDXUCM-NRFANRHFSA-N 496.792 5.517 30 20 JKED CN(C(=O)CNc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C1(C#N)CCCCC1 71982517 DJLFFURNZQWOCV-UHFFFAOYSA-N 476.474 5.194 30 20 JKED Cc1nc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)sc1SCC#N 107899615 UAHFXUFCZNCSAO-UHFFFAOYSA-N 457.890 5.177 30 20 JKED N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1 303028049 QKXIBUGTFLMVOF-IBGZPJMESA-N 457.382 6.042 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481351283 RXNGHMMZHFFACS-INIZCTEOSA-N 499.464 5.453 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCN(c2ccccc2C#N)CC1 486474325 QEYSEYZUKMBLEF-UHFFFAOYSA-N 455.345 5.181 30 20 JKED COc1ccc(CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Br 490629555 LKNWKSMVKSTHSX-UHFFFAOYSA-N 479.374 5.674 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 498280693 FPGVPGVHDOYMGJ-UHFFFAOYSA-N 461.568 5.293 30 20 JKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 501871423 MNGGKCHINJWWDI-UHFFFAOYSA-N 468.582 5.610 30 20 JKED N#Cc1cn(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c2ccc(Cl)cc2c1=O 502819296 DCDFFXOQWQQQRS-UHFFFAOYSA-N 480.376 5.970 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2cccc(C#Cc3ccccn3)c2)nnc1-c1ccccc1 505036864 UPVRBELZWUWWIO-HXUWFJFHSA-N 467.598 5.442 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ccc(Br)cn2)n(Cc2ccc(F)cc2)c1C 505630950 BWFHVBKHMISQRG-UHFFFAOYSA-N 473.371 5.052 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(OCc5ccccc5C#N)cc4)CC3)c2c1 509100203 YXDATYLTJGUZOT-UHFFFAOYSA-N 465.553 5.647 30 20 JKED Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c(C)o1 511575473 RTFYMTGBOVCSIS-QHCPKHFHSA-N 476.964 5.195 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)c2)c1 511770395 LKJOUXZZAQSCEA-UHFFFAOYSA-N 472.589 5.004 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 514558961 MUOMHCCIAXLKDM-SANMLTNESA-N 476.536 5.554 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 518257161 VIFQSBCYHZNUGV-UHFFFAOYSA-N 484.581 5.257 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H]3CCN(c4ccc(Br)cc4)C3)s2)cc1 518389124 GFPNINDTAMLPMM-GOSISDBHSA-N 496.434 5.016 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 518653179 VKQKKNXDIWMQDP-DLBZAZTESA-N 498.653 5.012 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 519406923 GHQPCEWUIHFBHT-UHFFFAOYSA-N 465.600 5.160 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 520824902 HJBLEFAMGAUJKZ-FDDCHVKYSA-N 474.586 5.469 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)c2)c1 521258979 HALAWBDHNFWYMY-LJQANCHMSA-N 473.602 6.213 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCCC[C@H]1c1ccccc1 521387200 SYCCPDWXGPWDLT-FQEVSTJZSA-N 457.368 5.242 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc12 521726026 LBILXNXLRCSYCU-AWEZNQCLSA-N 450.564 6.039 30 20 JKED C=CCn1c(SCC(=O)NCC2(c3ccccc3C)CC2)nnc1-c1ccc(Cl)cc1 523288400 QIMJCKOKDYDJNC-UHFFFAOYSA-N 453.011 5.033 30 20 JKED CCOc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c([N+](=O)[O-])cc1OC 524392546 PEQIXOBMSQYXLF-UHFFFAOYSA-N 481.892 5.358 30 20 JKED COc1ccc2ccccc2c1CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CCCC1 524413266 YGJJTKXLIDUFQG-UHFFFAOYSA-N 490.625 5.511 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 591020104 UFUYGNKINBNZJB-KRWDZBQOSA-N 459.493 5.677 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 603532987 KFQOAZSETZUUJN-UHFFFAOYSA-N 466.438 5.608 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)c2ccccc12 603549463 KPBKZSOSBHDDIS-UHFFFAOYSA-N 455.558 5.140 30 20 JKED Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1NC(=O)c1ccccc1F 603766150 MDIRXFVYBUEYLP-XMMPIXPASA-N 497.957 6.948 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 603900456 KYHZDTDAUZNLCM-UHFFFAOYSA-N 474.417 5.154 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 604129343 JUCWXWCQHCZASG-OAQYLSRUSA-N 457.574 5.829 30 20 JKED CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604142900 ZJOXKUJECMVLGT-QGZVFWFLSA-N 477.948 5.607 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cccc(CSc3ccc(C)cc3C)c2)cc(OC)c1OC 609006487 LMHUKHVFIKIGFC-JOCHJYFZSA-N 476.598 5.616 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609020849 YQRNFJBXNDISTC-UHFFFAOYSA-N 454.505 5.829 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 609079064 HNUXMKQCQOSASJ-UHFFFAOYSA-N 490.003 5.969 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609079172 NOTJBIBYWGGIBJ-SANMLTNESA-N 485.584 5.667 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 609086708 VLPFSFICVTTYSB-GOSISDBHSA-N 484.581 5.214 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)Nc1ccc(F)c(C#N)c1 609103226 ARLBXPSDUAFIEF-ZDUSSCGKSA-N 464.547 5.335 30 20 JKED COc1cccc(/C=C(/CC(=O)NCc2ccc(C#N)cc2F)c2nc3ccccc3s2)c1 609229647 GSMQDWSXBGUOHQ-JAIQZWGSSA-N 457.530 5.563 30 20 JKED N#Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)c(F)c1 609252508 BHSDIDBPDMWIKK-NRFANRHFSA-N 456.290 5.188 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C2CCCCC2)C2CC2)c1 642061634 HINIDFURAYFPPO-UHFFFAOYSA-N 473.038 5.659 30 20 JKED C=CCc1cc(C(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)cc(OC)c1OC 680458603 MUVIALVQBBHABR-UHFFFAOYSA-N 455.942 5.188 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccccc3)S/C2=N\CCc2ccccn2)s1 726107477 DOWGOLABDPYRBZ-HVJIYZOHSA-N 478.643 5.084 30 20 JKED CC(=O)N(CCC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)Cc1ccccc1 726321180 CERZGYMEEDCDBI-QKNOUNDKSA-N 461.631 5.226 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(OC(C)C)cc2)cc1 726573795 QGWKPJHQBWETRG-UHFFFAOYSA-O 490.649 5.799 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1 726692542 YOHIFKZCGDVJGH-UHFFFAOYSA-N 452.466 5.193 30 20 JKED FC(F)(F)COc1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 727261904 KGHCFAYEJJIDPV-UHFFFAOYSA-N 451.452 5.381 30 20 JKED CCOc1cc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C 727685156 BUYKKOXAZZDOLJ-TWQQJCIXSA-N 494.588 5.416 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 728028411 IEOHYKIKFVISJA-UHFFFAOYSA-N 456.502 5.206 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c1 728182288 HPTWHEXAJCZWPL-UHFFFAOYSA-N 476.960 5.009 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2scnc2C)cc1 729145669 NCHYIOCZDDEECZ-OAQYLSRUSA-N 494.642 5.183 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)cc1 729634528 NODBQAOWHLTAMA-XMMPIXPASA-N 488.613 5.176 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cc(C)cc(C)c2)cc1 729668471 KXTZYYSRIWLOIT-UHFFFAOYSA-O 479.622 5.925 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2Cc2cocn2)cc1 730713952 VVXNGLYASTYNGT-HSZRJFAPSA-N 491.617 5.025 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730718443 ZIMRONFAMIOPEV-NZQKXSOJSA-N 492.004 5.242 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1 730726639 JAEJNVOBOBUWPB-HSZRJFAPSA-N 488.544 5.436 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 731073472 DUDLWUAVCWNUSE-KBPBESRZSA-N 483.442 5.908 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2C)cc1 731307557 HLJKEZGPOBRBND-DEOSSOPVSA-N 489.597 5.260 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(Cl)c2)C1=O)Nc1cccc(O)c1 731307788 VIYMKDWEOGKDBO-OAQYLSRUSA-N 465.962 5.206 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2cccs2)c1 731310105 AGMDLGYYZFWBBY-AOMKIAJQSA-N 495.626 5.054 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 731332294 IHFXBFJRVGCWKQ-OAHLLOKOSA-N 466.028 5.017 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 731345436 UYELCPOWAFRYMD-KKSFZXQISA-N 471.513 5.215 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(OC)c(OC(F)F)c1)C(=O)c1ccccc1 747150625 RPHSSIYCZWDVSM-JWGURIENSA-N 479.523 6.326 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2nccs2)cc1 747598674 CQOANRINCKXQDC-IBGZPJMESA-N 485.034 5.308 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1 750392795 SYUXJMPOVDZJRU-DNVCBOLYSA-N 467.982 5.009 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(CC(F)(F)F)C1=O 799215006 HDVFPOOPUSMMAK-HXUWFJFHSA-N 493.551 5.615 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)cc1 799220475 CFBKVULRDCNSCB-IBGZPJMESA-N 479.524 5.225 30 20 JKED COCCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc(Cl)ccc21 804078149 GBTBYSTWKQVRTP-KRWDZBQOSA-N 483.018 5.428 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)c2ccccn2)C1=O 837744668 SUEGDNKJHOJBLE-KSFYIVLOSA-N 496.995 5.904 30 20 JKED CC[C@@H](C)N1C(=O)N[C@H](c2cccc(C#N)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839946746 BEVLZOQXXWNLPI-SPLOXXLWSA-N 456.468 5.355 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c4ccc(F)cc4)cc3)o2)cc1 857835861 WRSMLJXYVYRXRC-LJQANCHMSA-N 498.514 5.343 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)n1 899919532 RZINCARJUUREIY-KRWDZBQOSA-N 484.562 5.310 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccccc2)c1 913118487 VCXQNURBADHUSO-XMMPIXPASA-N 486.597 5.114 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccccc2COC(C)C)c1 914546341 NTELDZTYKHQXRW-DEOSSOPVSA-N 479.646 5.029 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)cc1 914910264 ZTPAEPRUFZFHNS-AWEZNQCLSA-N 481.599 5.123 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2csc(-c3ccc(F)cc3)n2)CC1 914956883 NTXDCAPKGALCQK-UHFFFAOYSA-N 478.505 5.029 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 915087265 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CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 916954615 JLSOZGWVHJMUNL-BEFAXECRSA-N 463.559 5.302 30 20 JKED Cc1nc(C#N)c(NN=C(C[C@H]2CCC[C@@H](C[C@H](O)c3ccccc3)N2C)c2ccccc2)o1 917554700 FFWRGCWIXFITJI-UMFSSWHCSA-N 457.578 5.038 30 20 JKED COc1cc(/C=C\C(=O)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1Cl 917613558 JGYQKKSGKGLTPY-BENRWUELSA-N 478.957 5.872 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccnc(C)n3)C2=O)c1 917660952 SDOKINDLCJXFTF-DEOSSOPVSA-N 487.629 5.179 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N([C@H](C)c2cc(C)sc2C)C1=O 917701340 OZGINFPSGFMKPU-VFNWGFHPSA-N 451.617 5.347 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccccc1F 917703463 MTPKDFLZXYVUME-QHCPKHFHSA-N 490.535 5.039 30 20 JKED N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)sc2c1-c1ccccc1CC2 917773842 DBOKCVWWULEXMY-UHFFFAOYSA-N 498.029 5.076 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1csc(COc2ccc(Cl)cc2)n1 918709674 QURPNOZJQAFYKA-UHFFFAOYSA-N 492.029 5.882 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2ccsc2)C1=O 920176575 TXGDIGQLZNILHZ-HSZRJFAPSA-N 491.638 5.406 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 920675204 AJHKEJWJDWHVKT-VIFPVBQESA-N 452.344 5.234 30 20 JKED C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1 1469267541 ZVGHRPJSBQHORO-SNVBAGLBSA-N 457.330 5.125 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3c(Cl)cncc3s2)C1 1777708492 GUECEPNVRUUSKE-PXDATVDWSA-N 490.069 5.070 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H](C)S)C4)cc2)cc1 1780859226 FPMNYSLLGCOGKR-KFACBJOOSA-N 494.701 5.142 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC(F)(F)F)c(F)c3)CCC2)cc1 1785936666 SCBOYEUXKWALPK-UHFFFAOYSA-N 477.458 5.064 30 20 JKED Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)cc1 1786308924 VQXICRZTRVHGOM-AVRDEDQJSA-N 497.661 5.013 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cs3)CCC2)cc1 1786365995 CSUFMHOBLPPRCU-UHFFFAOYSA-N 477.424 5.241 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)cc2)CCC1 1786786785 XJMYWGSQPQDZCR-PVBLUSGHSA-N 488.657 5.033 30 20 JKED Cc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1 1787424325 YZBYVCCMBREACL-UHFFFAOYSA-N 495.402 5.147 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4Cl)CCC3)cc2)c(C(F)(F)F)n1 1788357737 ZYYOGOCHLNAFDL-UHFFFAOYSA-N 499.880 5.082 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)cc2)CCC1 1788375812 RLERPSPLIVDWLH-UHFFFAOYSA-N 459.496 5.188 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccco5)no4)cc3)CCC2)c1 1788420588 XPOOCLDJXLDBDR-UHFFFAOYSA-N 466.497 5.176 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1 1788649588 MCMNNOQPVYTCCS-CMDGGOBGSA-N 471.538 5.076 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(NC(C)=O)cc3)CCC2)cc1 1789453671 FDFGVYHQWPUUQN-VWLOTQADSA-N 459.590 5.090 30 20 JKED Cc1ncsc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508710 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C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cc(Br)ccc3c1)C2 1801639185 UYIDOQAWRZTWHX-ZHHJKBAOSA-N 455.396 5.066 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1802493559 WYGAKFIEVZGADY-JTHBVZDNSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1803078164 SLMUGSBVMICVQB-HOFKKMOUSA-N 486.591 5.304 30 20 JKED CC(C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1803220579 CYDJLAGVWSRCSD-BWUJXXCWSA-N 494.639 5.468 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(F)c(Cl)c2)C3)c1 1803684457 KEGVZDFZOBWGQO-CODKJTEISA-N 474.363 5.325 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@H]4CCCc5c4[nH]c4ccc(Cl)cc54)CC3)C2)C1 1804787100 HQOBJKKZJLOJSC-QFIPXVFZSA-N 480.052 5.439 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4c(F)cccc4Cl)C3)CC2)c1 1805215755 STNUAYOEMMVQKA-LJQANCHMSA-N 481.999 5.194 30 20 JKED CC(C)(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)s1 1808803844 ZUMNBQYNZULYLI-RDGATRHJSA-N 486.641 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1809161143 NWOZODBIRYLXLJ-URXFXBBRSA-N 459.590 5.448 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1810173863 BSTUFPUSKPUICK-MMTHZHQFSA-N 463.647 5.037 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810728658 ZDNWIOKHTNWANI-ABYGYWHVSA-N 481.596 5.387 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3[nH]c4ccoc4c3-c3ccccc3)[C@H]2c2cccnc2)C1 1811278106 UKUOAEBRWOZJDQ-QFQXNSOFSA-N 480.568 5.109 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3cnco3)c2)[C@H]1c1cccnc1 1811382418 NUIUMETVZRWZGD-UKILVPOCSA-N 472.589 5.049 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811466174 IITQHJUWLKMXFE-KUHUBIRLSA-N 486.321 5.059 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811539304 QRORRLPFYSYGGV-NAYZPBBASA-N 467.613 5.589 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1811794839 UXACGLUIPHHAJQ-ZILOHOTNSA-N 496.995 5.040 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1)C(F)(F)F 1811997871 KOJLBBBYFFQUQD-BEFAXECRSA-N 486.321 5.135 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H]1c1cccnc1 1812591286 VYELMSIPTLOTTC-NFCJYOSASA-N 493.611 5.157 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1812673413 TWZJWHGTQKJJFH-ZCYQVOJMSA-N 492.570 5.020 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@H]1c1cccnc1 1812785243 OAIONTREGBBBDY-SAZLYLDSSA-N 451.655 5.462 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1813050177 MVJHCTGKDALPSN-GIGWZHCTSA-N 497.664 5.497 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1813960149 CUUFRYLEFCQZLX-OZXSUGGESA-N 488.632 5.052 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)o2)n[nH]1)c1ccccc1 1818426802 NKLFEJDZELOJFP-ICSRJNTNSA-N 464.953 5.159 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)[nH]n1 1819384048 ATCHNNIPVCHJBP-KRWDZBQOSA-N 477.106 5.482 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1819555094 ZECIVWOSLRPBPV-CHHLAKQQSA-N 460.578 5.854 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]n2)c1 1820481451 IRHWHQRTBZHTAZ-XMMPIXPASA-N 467.573 5.099 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(F)cc2F)n[nH]1 1821029790 KGKIOLGYPIDDEH-VBKZILBWSA-N 462.928 5.416 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c(Cl)c1 1821277088 FQLMAGNQWIMFLS-HXUWFJFHSA-N 493.354 5.080 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2O)n[nH]1 1821498533 BGTGBCNHBJJMLL-LJQANCHMSA-N 450.539 5.160 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](C)Oc2ccccc2)n[nH]1 1821782308 WCBXCPFEQOFEKT-XXBNENTESA-N 450.583 5.028 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[nH]n1 1821919698 BNMNNOSPYWELQJ-KOSHJBKYSA-N 482.588 5.471 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(OC)cc2F)n[nH]1 1822250342 YWFFKZIUTBFSEF-HJSOSKBTSA-N 466.557 5.031 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2SCc2ccccc2)[nH]n1 1822392434 SRAWPPNNPKOUQW-HSZRJFAPSA-N 487.629 5.206 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1822393379 TYRNMUKTGNGHLF-AUSIDOKSSA-N 492.023 5.460 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)n[nH]1 1822489240 RZIMVUHASGWUQA-HXUWFJFHSA-N 494.945 5.510 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)[nH]n1 1822585432 RKCZFTVBKIQPKS-IBGZPJMESA-N 464.463 5.067 30 20 JKED Cc1cc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1F 1823205732 ABSOTMAIORKFQY-MWTRTKDXSA-N 477.515 5.243 30 20 JKED COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1Cl 1823242962 LZZWNENDZXQIRM-HXUWFJFHSA-N 498.370 5.216 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1823646282 KHUJPPXUMCMTQM-NRFANRHFSA-N 486.037 5.219 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c1 1824053332 SDEWHLWARWUBNB-SANMLTNESA-N 469.585 5.171 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)Cc3ccccc3)CC2)c1 1824099186 YEFOOELILIEOEJ-HHHXNRCGSA-N 487.644 5.069 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1824954600 KEQWGYVCOSBLHB-WNJJXGMVSA-N 494.701 5.240 30 20 JKED O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826524048 RLQPQLWVVFLIJF-SANMLTNESA-N 474.004 5.106 30 20 JKED O=C(c1ccc(-c2cccnc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826525626 QRSYBCFPVNTXNM-LJAQVGFWSA-N 477.608 5.034 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3oc4ccccc4c3C)CC2)c(C#N)c1 1828127843 NCNDVDWPVFGXPS-AREMUKBSSA-N 499.611 5.098 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828168705 TYCJVJSRLOQOPS-XLIONFOSSA-N 475.054 5.379 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321138 HHSCJJIDTVNIHL-DYESRHJHSA-N 490.069 5.589 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1828824069 JPIMVSRMWASRQH-GOTSBHOMSA-N 488.028 5.179 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1828824076 JPIMVSRMWASRQH-XZOQPEGZSA-N 488.028 5.179 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1)c1ccccc1 1829034634 BCKHIDCJDNEUGP-IFSBHXHJSA-N 483.656 5.302 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829354129 VDJSTGFNSKTLFQ-RBBKRZOGSA-N 463.544 5.102 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1829679352 PAXCBGDIELJWMA-PCUWGRHASA-N 497.595 5.260 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)cc1 1830016096 ANEKBDYZZMAKRY-SANMLTNESA-N 487.003 5.307 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1)NC(=O)OC(C)(C)C 1830063872 GFJRTFPMUNQMHS-JWQCQUIFSA-N 497.680 5.088 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)cc3F)CC2)cc1C#N 1830093797 MNWHETOQXTUIGK-RUZDIDTESA-N 495.570 5.171 30 20 JKED O=C([C@@H]1[C@@H]2C=CS[C@@H]12)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830604318 CITXJQZLCWULPJ-AMSOURPBSA-N 496.676 5.195 30 20 JKED O=C(C1=COCCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830604762 MQAOIRSBOVJPMZ-GDLZYMKVSA-N 482.624 5.014 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)s1 1831141870 XWEWGNQNMUEXCQ-DEOSSOPVSA-N 492.689 5.489 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCSCc3ccc(C)cc3)CC2)C1 1831746343 CVPWHSWVWAIVBH-RUZDIDTESA-N 454.680 5.204 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831968965 FMJRJCAJZGHXHH-SVHBDMKASA-N 473.455 5.294 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1832030158 DUWGVOXHGNIGMO-HXUWFJFHSA-N 483.962 5.181 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1832034670 RDRYABJYNWPJJC-JOCHJYFZSA-N 481.618 5.236 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)c1 1832631637 GGWFYKKJKRTBRG-NFQMXDRXSA-N 496.611 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1832693285 LAUKXFFQTWLUKV-QHCPKHFHSA-N 470.654 5.238 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSC3CCCC3)CC2)cc1C#N 1832702949 QHGMVURHGPFNMZ-VWLOTQADSA-N 497.705 5.255 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)CC1 1833077036 ODZZSJOIEKLKKE-UHFFFAOYSA-N 471.686 5.063 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1 1838113005 SFLLERNEIQXMNW-LJQANCHMSA-N 485.024 5.424 30 20 JKED N#Cc1cccc(COC(=O)CCc2nc3cc(C(F)(F)F)ccc3n(Cc3ccccc3)c2=O)c1 9195487 BFRPAUCOGJPGLW-UHFFFAOYSA-N 491.469 5.011 30 20 JKED C=CCn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1Cl 9594841 GQLZYRMLRWGOIR-UHFFFAOYSA-N 467.809 5.500 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1 10825468 ISLAYYYOQLGRDI-UHFFFAOYSA-O 492.451 6.923 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2cccc(Cl)c2)cc1 10830431 JKYIGXZCKKMGRC-UHFFFAOYSA-O 453.971 5.012 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(OC)c2)cc1 11260642 PUDYWKGLWVHQNO-UHFFFAOYSA-O 464.655 5.893 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)ccc2C)c1 14663495 RRENTOVHRCHMJG-UHFFFAOYSA-N 498.988 5.069 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 16171752 VNGZIAHKHQGGJZ-XMMPIXPASA-N 456.546 5.125 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)n(C2CCCCC2)c1C 16654845 MJABWHFQTRTURW-UHFFFAOYSA-N 477.634 5.503 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)nnc1-c1ccccc1 16656374 FRJIXBOXQDLYOK-UHFFFAOYSA-N 482.613 5.200 30 20 JKED CCn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17126238 BYMBPHJNGSAGGB-OWJWWREXSA-N 486.638 5.128 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 21119294 YBMVRTLJWQGXJE-AWEZNQCLSA-N 480.487 5.320 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22732155 NKXGRHLFHPWRKI-UHFFFAOYSA-O 465.614 6.169 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 23602011 QOBXLTBLXSAKCB-KRWDZBQOSA-N 464.566 5.078 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2cccnc2)c1 29297398 LGXSRNVMPCMIMM-HSZRJFAPSA-N 482.005 5.094 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 30573007 LOFFSMSVHQKMHO-UHFFFAOYSA-N 469.372 5.177 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N1CCCC1 71944561 OVRBIMDKQUZVDD-HHHXNRCGSA-N 484.600 5.299 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 72087439 PAXHEDPOTKHOMG-UHFFFAOYSA-N 470.298 5.710 30 20 JKED C/C(=N\N=C(\c1ccc(Cl)cc1)c1ccc(OS(C)(=O)=O)cc1)C1(c2ccccc2)CCC1 95830003 RYBPUFWJNKZHFG-PXJRIXHESA-N 481.017 6.014 30 20 JKED COc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1NC(=O)c1cccnc1 108827536 DKDKWWGGVNWXSE-UHFFFAOYSA-N 478.508 5.045 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 109705806 JNZSUCGYEJPRRP-UHFFFAOYSA-N 485.974 6.028 30 20 JKED Cn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(C(C)(C)C)cc1 115390948 OMGXXLNTSSUPAR-FQEVSTJZSA-N 487.654 5.872 30 20 JKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(NC(=O)NC2CC2)cc1 195625381 BJDSPOLFKDZPSU-QGZVFWFLSA-N 456.571 5.484 30 20 JKED C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 209598945 FGHXAYCAVNFBJT-WORIPGKHSA-N 485.613 5.343 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1c1ccccc1OC 254393546 IAINEHHJRGAURT-JOCHJYFZSA-N 495.988 5.522 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)CC1 478950221 HOOFWFPOQWSWMT-UHFFFAOYSA-N 485.638 5.061 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 485770941 KLCHBJONABFLPF-CYBMUJFWSA-N 494.407 5.281 30 20 JKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)CCc2c(C)nn(CCC#N)c2C)ccc1Cl 489127999 LPBYZHOPJHZRRA-UHFFFAOYSA-N 492.023 5.301 30 20 JKED N#Cc1ccsc1C(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 497980965 IAVABBMRZJUUIK-MRXNPFEDSA-N 474.405 5.332 30 20 JKED N#C[C@H](C(=O)c1occc1CN1C(=O)Cc2ccccc21)c1nc(-c2c(F)cccc2F)cs1 503530830 NEYPKELYWZBKST-MRXNPFEDSA-N 475.476 5.261 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 505674908 FJZAXDGAJHWXAX-UHFFFAOYSA-N 478.430 5.816 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1 508268307 QRSSPMKLKLZPNZ-UHFFFAOYSA-N 474.536 5.238 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)Nc1ccccc1C#N 510216947 KWWBYUFMWIDCMP-MOPGFXCFSA-N 453.571 5.545 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(OCc3ccccc3)CC2)cc1 511380548 FYTJRPKAYPJWFK-UHFFFAOYSA-N 455.558 5.545 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 512563388 DIODUMJXGLSRMU-QGZVFWFLSA-N 460.361 5.143 30 20 JKED COCCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Cl 513865071 BEVGYDFBWFWOBM-UHFFFAOYSA-N 467.928 5.610 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)N(C)Cc2cccc(C#N)c2)c1 514508116 QSPFJFMJNHDZAU-UHFFFAOYSA-N 492.601 5.045 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc12 514929677 FSPRKYGSLQHIIC-UHFFFAOYSA-N 490.032 5.269 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)n2)cc1 516713767 IXZTXSPEKUCPHA-JOCHJYFZSA-N 467.550 5.870 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCC(=O)N3CCCC3)n2)cc1 516713900 MMPCFTDZPZCRLE-FQEVSTJZSA-N 477.611 5.023 30 20 JKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCO[C@@H](c2ccc(Br)cc2)C1 516810279 NYORNJCXBWKUOQ-LJQANCHMSA-N 460.278 5.048 30 20 JKED C=CCN(C(=O)c1ccc(Oc2cccnc2)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516812509 VKRSMWJTFAMCKU-UHFFFAOYSA-N 491.594 5.234 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(C(=O)Nc2ccccc2)c1 518133105 ARSTUYNYKBEZGG-IBGZPJMESA-N 475.639 6.205 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 518240202 UPADABHOKKYWPO-OAHLLOKOSA-N 458.008 5.951 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 518653180 VKQKKNXDIWMQDP-IAGOWNOFSA-N 498.653 5.012 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)cc2)cc1 519979193 SNDFHGQLMHIOHE-JOCHJYFZSA-N 477.467 5.195 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1 523631358 IIQUYVAKHAYBIO-DEOSSOPVSA-N 475.520 5.340 30 20 JKED Cc1ccc(-c2noc([C@H](C)SCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1F 561176400 SFJHDGBWAWURQU-CVEARBPZSA-N 470.595 6.011 30 20 JKED CS(=O)(=O)Cc1c(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)oc2ccccc12 588349145 ZAWSKCKKSRMNSE-KYCPRUOLSA-N 494.638 5.392 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1Cl 603758806 IZHVTAUXUGNHJX-LJQANCHMSA-N 493.013 5.947 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1 604003479 BUHGETVKVXBZMA-UHFFFAOYSA-N 493.357 5.047 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(C)C)cc1 604137924 CHZIWRSMIZZBLD-ZCYQVOJMSA-N 475.976 5.456 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)o1 609057162 AZZOLXDGGYSVFG-UHFFFAOYSA-N 463.921 5.262 30 20 JKED Cc1nc(O)cc(-c2ccc(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)n1 609075987 YYKLSOOSMARDMT-UHFFFAOYSA-N 465.513 5.561 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(c4ccc5cccc(O)c5n4)CC3)c2)cc1 609112857 YLTVYWFPRRVDIJ-UHFFFAOYSA-N 492.579 5.441 30 20 JKED COCCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 609215733 LWIDRMYUVDEDBC-UHFFFAOYSA-N 484.531 5.064 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 609378344 FSTQZJKYGNIECB-SFHVURJKSA-N 463.481 5.081 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1 613320276 YYNAOIHNJYRRNK-LJQANCHMSA-N 459.914 5.997 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 613404477 RXNIMAXDECHTGV-GFCCVEGCSA-N 499.308 5.975 30 20 JKED N#C[C@@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(-c2ccc(Cl)cc2)cs1 622977895 ZMBXVPFZIYTTGU-HNNXBMFYSA-N 456.379 6.730 30 20 JKED O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642446897 ZCSQIKWLZQUDLZ-GHMZBOCLSA-N 487.416 6.043 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccccc1F 645077295 FGLMKARZRHAIMS-QHCPKHFHSA-N 474.561 5.751 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(C)c2NC(=O)c2ccncc2)cc1 725722270 GGMQNRRLYHVYPY-UHFFFAOYSA-N 478.508 5.567 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2cccc(C)c2)C=C1 725763267 ITSKQUXXJROGON-UHFFFAOYSA-O 480.613 6.043 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 726319401 HUTTXSIQFAFTKB-NRFANRHFSA-N 452.514 5.284 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CC[C@H](C)OC)C1=O 726396465 FCQRGDKIOZSQTJ-HRAATJIYSA-N 490.025 5.042 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(CC[C@H](C)OC)C1=O 726399715 NREHBEZRRBCJJM-FDDCHVKYSA-N 483.634 5.204 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cscn2)c1 726413704 YXGUEUWNHFQQKV-DEOSSOPVSA-N 496.617 5.438 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S/C1=N\[C@@H](C)c1cccs1 726419522 FRLQSHCNSRGKRQ-OJMJRNKJSA-N 499.580 5.193 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccs1)c1cccs1 726419717 GQUDSNJBMWJJRZ-DNWDKJSTSA-N 491.610 5.678 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\[C@H](C)c1cccs1 726422180 UDEUZMOWPNYTQS-BGFHJTPRSA-N 473.664 5.037 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 727233210 JMDQXNUJAYLBCH-SMDDNHRTSA-N 458.408 5.135 30 20 JKED CC(=O)N(c1nc(C=NNC(=S)Nc2ccc(OC(C)C)cc2)cs1)c1ccc(F)cc1F 727257745 AUIHCMXDQGVIFS-UHFFFAOYSA-N 489.573 5.214 30 20 JKED Cc1ccc(Sc2ccc(Cl)cc2NC(=O)C(=O)NCc2ccc(OCC#N)cc2)c(C)c1 727949060 CDNOQXGHUMEPCB-UHFFFAOYSA-N 479.989 5.265 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 728422156 CWGDPJNDKHPGHK-AOMKIAJQSA-N 489.988 5.328 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2cccc(C)c2C)n1 728423048 JFNFCRLMCYJXBQ-XMMPIXPASA-N 483.597 5.039 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)cc1F 728780423 SVAJNPRCMFLCHX-HXUWFJFHSA-N 474.508 5.067 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1)c1ccc2ccccc2n1 730685462 GIIRMUVXTCESLM-CLOONOSVSA-N 475.317 6.133 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730932950 VLQDYPZAIWYZPD-UHFFFAOYSA-N 458.990 5.313 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304482 QOZLVOPKAWVGEU-BVZFJXPGSA-N 496.592 5.662 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C)c1 731306855 DNKMIUGPJJJGPG-XMMPIXPASA-N 489.597 5.008 30 20 JKED Cc1ccc(F)c(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccccc2)c1 744114444 CIJHSVXCTHGPAO-UHFFFAOYSA-O 464.586 5.541 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 746698272 YTHPQPPOFAERBL-RUZDIDTESA-N 496.592 5.531 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)O)c2)cc(Br)c1OC(F)F 750908770 GXVHAELGLNZYGW-KRZKBDHCSA-N 485.277 5.197 30 20 JKED N#Cc1ccccc1/C=C\C(=O)OCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 775063851 LZBPMTDCKGMTEV-QXMHVHEDSA-N 493.441 5.024 30 20 JKED C[C@@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 829696535 BXOXQEFXPVIGAS-GFCCVEGCSA-N 492.746 5.676 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2cccs2)C1=O)Nc1ccccc1F 837519236 NJKYLYGBCMRPKD-HXUWFJFHSA-N 453.564 5.090 30 20 JKED O=C1CC[C@@H](c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)CN1CC1CCC1 856536933 JHENAQBYJLKTPM-CQSZACIVSA-N 479.396 5.532 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2sccc2C)c1 914542257 BMEWMAALEITSPS-FQEVSTJZSA-N 465.600 5.226 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)Cc3ccco3)C2=O)c1 914690038 HPSVFYGGXDSVPO-OYHNWAKOSA-N 499.539 5.158 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)Cc3cccs3)C2=O)cc1 914694386 IWSAVWDRGNPOPU-UZUQRXQVSA-N 491.638 5.542 30 20 JKED N#CC(CCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)(c1ccccc1)c1ccccc1 914893375 QSBQEDYESSZMSV-UHFFFAOYSA-N 485.561 5.310 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915101015 AICDIBQIDCHYLH-NOUTYMABSA-N 476.001 5.592 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 915862135 JRBMCDMWWUGJHP-GOTSBHOMSA-N 475.495 5.187 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)cc3)C2=O)c1 916204389 DQXZJVSMRUGHQC-DEOSSOPVSA-N 489.597 5.173 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C[C@@H]2CCCO2)C1=O)Nc1cccc2ccccc12 916207370 ZFHQMUBBGTVDJK-FDDCHVKYSA-N 477.561 5.118 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@H]2CCCO2)cc1 916213478 DTEDBDXPZWPJSH-GGAORHGYSA-N 465.619 5.005 30 20 JKED Cc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c(C)n1C[C@@H]1CCCO1 916276986 OEACVGGGZSSJCT-INIZCTEOSA-N 450.395 5.020 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCc1ccccc1 916283622 KRSJRYVISVMMQO-UHFFFAOYSA-N 481.577 5.903 30 20 JKED CCc1nnc(S)n1N=Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Br)cc1 916301043 ODIQWJNRNOVZCW-UHFFFAOYSA-N 483.395 5.060 30 20 JKED COc1ccc(Br)cc1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 916309596 IMBKEZOVSMFBAH-UHFFFAOYSA-N 454.349 5.087 30 20 JKED Cc1cccc(COc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)c1 916888584 YEZVNQBRNNTLRI-QFIPXVFZSA-N 466.509 5.850 30 20 JKED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1OC 916923347 KNTPPFCCBGVVBK-MFUYTVRRSA-N 495.000 5.167 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C)n(C3CCCCC3)c2C)cc1Cl 916938490 MSISJPKDAHOKAH-FYJQUHEMSA-N 453.970 5.633 30 20 JKED N#C[C@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 916977726 XKAJXIJQKBUHHD-OAQYLSRUSA-N 498.995 6.269 30 20 JKED CCOC(=O)Cc1ccc(C(=O)/C=C/c2cc(Br)c(OC(F)F)c(OC)c2)cc1 917145716 PZKWLZBEFCXTKR-RMKNXTFCSA-N 469.278 5.061 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 917507269 SYRWINKTNYNNBR-JARZOMNASA-N 464.518 5.281 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(Cl)s1)[n+]1ccc2c(c1)CCCC2 917612622 ANCLTHLGPIWBAQ-UHFFFAOYSA-O 453.012 5.763 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccsc2)cc1 917685329 YGYKGJGNVNUPFZ-FQEVSTJZSA-N 487.553 5.195 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2F)c1 917695646 AZVBIOMIXMNWJL-HSZRJFAPSA-N 495.551 5.272 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 918481756 QZOAHHJGSVACQM-UHFFFAOYSA-N 450.947 5.398 30 20 JKED C=CCOc1ccc(/C=C/C(=O)OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1OC 918820657 FDWZTGKBVPDNDB-LKXQCNMVSA-N 489.593 5.052 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cc(C)on2)cc1 920354735 FSQTZBWLSQKOQC-QFIPXVFZSA-N 462.575 5.014 30 20 JKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(C(F)(F)F)cc1 920805072 FBWRPBQRAKFKOU-WFASDCNBSA-N 450.432 6.477 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 920867495 SNISGMKGCBHWCY-LIRRHRJNSA-N 497.514 5.087 30 20 JKED N#Cc1cc(NC(=O)c2nnc3ccccc3c2O)ccc1Oc1ccc(C(F)(F)F)cc1 1620604504 KRKTYPQSWOBDCP-UHFFFAOYSA-N 450.376 5.270 30 20 JKED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCCCCCCc1ccccc1)C2 1782193920 OSPZHINKLSWURC-POURPWNDSA-N 480.693 5.277 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)c1 1785794731 CGTFGGXMBRARAD-IBGZPJMESA-N 482.540 5.212 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)CCc3nc(-c4cccc(Cl)c4)no3)cc2)CCC1 1786888849 JNMZBRJUUUYXGA-UHFFFAOYSA-N 491.979 5.006 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4scnc4C(F)(F)F)cc3)CCC2)c1 1787576876 ONRQPNIYNRQNSR-UHFFFAOYSA-N 470.476 5.095 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1)c1ccc(O)cc1 1787598438 PSPXXQAQMIPIPD-OAQYLSRUSA-N 483.568 5.203 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3cccc(C)c3)cc2)CCC1 1787600806 HWEOWUQZLFJCMB-DEOSSOPVSA-N 491.632 5.661 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4cc(F)cc(F)c4)cc3)CCC2)CC1 1788375966 MCIMJHTXHDGTPA-UHFFFAOYSA-N 472.495 5.078 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CCC2)cc1 1789577763 FHBZZFPFTHDKPJ-KFXWPXIRSA-N 461.606 5.439 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CC3)CCC2)cc1 1790569929 NDXCELNKSHPONF-SFHVURJKSA-N 467.997 5.307 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)cc2)CCC1 1790774949 ZBXFHEDSGLWOGJ-MRXNPFEDSA-N 486.956 5.105 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)c12 1790920371 HGMRPQPCAQSXLW-UHFFFAOYSA-N 464.525 5.110 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(Br)cc4n3)CCC2)cc1 1791250231 LFFGFVZAQWATKF-INIZCTEOSA-N 481.394 5.057 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791251354 DTZRFYDKWMKLMV-COPCDDAFSA-N 469.626 5.026 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccn4)nc4ncccc34)CCC2)cc1 1791588145 FLSIFAOCESKQJN-UHFFFAOYSA-N 463.541 5.016 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCCn3ccnc3C)CCC2)cc1)c1ccc(O)cc1 1791645863 SHONEGCMXYGEFB-XMMPIXPASA-N 498.627 5.009 30 20 JKED CCOc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792121877 AJBNXXSWRMJGPE-LJQANCHMSA-N 468.557 5.169 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(=O)c5ccccc5o4)CCC3)cc2)c1 1792123392 YOGNHFQUHCYJAU-IBGZPJMESA-N 491.547 5.482 30 20 JKED COc1cc(OC)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792125071 RIEGBFHHPQEHKZ-IBGZPJMESA-N 483.568 5.392 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3Cl)CCC2)cc1 1792236458 HKEIKFLKLYWHKN-UHFFFAOYSA-N 491.950 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccccc3c1Br)C2 1793052645 FQSBHUVBVFDBSY-WKCHPHFGSA-N 481.434 5.623 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ccccc3c2Cl)c1 1797464708 UDDNRRIUDSMLOT-MUJYYYPQSA-N 467.953 5.131 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1802502588 JVAQJFRVJDMYAH-DENIHFKCSA-N 491.529 5.552 30 20 JKED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1802694232 NFOHCJILUZFQAD-URXFXBBRSA-N 493.051 5.193 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccc(Cl)cc4nn3)CC2)C1 1804858899 VHHJMUDFAQUJGM-UHFFFAOYSA-N 469.029 5.120 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)C1 1804861937 CPFIBRMHEFTHFD-UHFFFAOYSA-N 456.030 5.659 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(C(C)(C)C)oc3C)[C@H]2c2cccnc2)c1 1805685375 YCYDWKHFQVTUPO-BKMJKUGQSA-N 484.600 5.094 30 20 JKED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@@H]2c2cccnc2)CCC1 1808488233 VDUJCYLXJQFOSH-RDPSFJRHSA-N 488.975 5.008 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)[C@H]1c1cccnc1)c1ccccc1 1810448007 QNUQMJJFKRMVPC-YRUYCOJQSA-N 469.629 5.031 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2cccs2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811251619 MWCPLUBWWKBIEB-IAPPQJPRSA-N 491.616 5.176 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1811865653 MVRQYECDMVKZKA-INNMJMHTSA-N 486.660 5.160 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3ccncc23)[C@@H]1c1cccnc1 1812103766 ZXRLUMVMNVQSEB-CUBQBAPOSA-N 498.703 5.001 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)C[C@H](C)c3ccccc3)[C@@H]2c2cccnc2)c1 1812735223 QKCKOSATIYUZCF-ZWWIGMNLSA-N 480.612 5.222 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)[nH]c12 1813866196 NINMHHBXAMSWTA-NMJGOYCLSA-N 491.595 5.132 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)[nH]n2)C1 1814396601 KQGCQGFNMHUQBX-RSXGOPAZSA-N 490.554 5.880 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)c1 1817497617 GWAKILWPNDPACM-HBBDQGAXSA-N 459.575 5.118 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccoc3C(F)(F)F)n[nH]2)c(Cl)c1 1818212004 SISHNXDCNGODKW-KRWDZBQOSA-N 491.857 5.166 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)[nH]n1 1819303285 TWRKCYAMMOETIY-KNQAVFIVSA-N 471.001 5.075 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3cccc(F)c3)[nH]n2)cc1 1820547146 FEQBOXUPCSADGH-XMMPIXPASA-N 494.530 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)n[nH]1 1820668025 RISHRFAXZVFDTL-ARMFNRFLSA-N 489.664 5.225 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)[nH]n2)c1 1823212825 WZZFXRMHBCQCRO-FMBGBVEOSA-N 489.526 5.334 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)c2s1 1823215478 SUDGKQCRZVHRPU-MWTRTKDXSA-N 498.612 5.575 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)[nH]n1 1823420105 KBPCIAUGRMYODG-OAQYLSRUSA-N 479.378 5.045 30 20 JKED Cc1cc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)ccc2[nH]1 1824361343 ORJKXRIHMIQJFQ-BTYIYWSLSA-N 483.597 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1825600449 JZGHDWYZSZPSKR-ZEQKJWHPSA-N 496.602 5.357 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 1826418943 LAUZPFXBBFUBSP-RXWNPYQGSA-N 468.682 5.419 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2[nH]1 1828211440 AWBCDUWSRZNSGQ-CCLHPLFOSA-N 482.628 5.651 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828216598 NJBQYOSPDSSCPD-XMMPIXPASA-N 464.606 5.449 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c1 1830570173 XSOGZLLKKNZAQY-XMMPIXPASA-N 481.999 5.217 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1 1830577937 DDGLPARNHWNXEC-AVRWGWEMSA-N 481.999 5.653 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)c(Cl)c1 1830721719 UWKGERMAUJNNFG-MYHFBWBUSA-N 461.993 5.158 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1F 1830723135 XGJWVOVBGAXNIZ-XMMPIXPASA-N 467.972 5.206 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 1830766501 HLMLHPJNHAQAGS-XMMPIXPASA-N 467.972 5.206 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1831589764 IXVXEASJWDCRIQ-OXXZUKKGSA-N 492.019 5.167 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1831695609 DKIOEYYZXIUJIR-ROSOWXQZSA-N 467.629 5.076 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2F)CC1 1831850765 PKDBTOICFFTBQX-XDQZKXAQSA-N 489.429 5.025 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2F)CC1)c1ccc(O)cc1 1831924219 JILYSRPJLXATKT-NVQXNPDNSA-N 494.582 5.101 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1832800580 USXUPYSGWGFLRW-GMKZXUHWSA-N 489.582 5.469 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)CC1 1832828307 ZXCSUESTLIUHBU-XMMPIXPASA-N 495.664 5.297 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)C1 1843202124 FVYYOMXIGIAJGS-VWLOTQADSA-N 465.597 5.487 30 20 JKED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)cc1 1845951078 MFZCNEIHTGRVNA-UHFFFAOYSA-N 476.020 5.125 30 20 JKED N#CCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)c1ccccc1 8750258 CDZOBCBAWSADSG-UHFFFAOYSA-N 477.952 5.376 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccc(Cl)cc1Cl 9225025 CVEYYHIFIQIWJY-UHFFFAOYSA-N 465.431 5.891 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174080 PFXSGRFYOAUXGY-UHFFFAOYSA-O 479.931 6.139 30 20 JKED Cc1oc2cc(OS(=O)(=O)c3ccccc3C#N)ccc2c(=O)c1-c1ccccc1Cl 14099896 LPUZZJMYRGZMDR-UHFFFAOYSA-N 451.887 5.061 30 20 JKED CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17183287 HPMZTYWMAXMQPS-UHFFFAOYSA-N 492.601 5.389 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1cccnc1 18404891 DOEXDQMQVKXMOQ-JOCHJYFZSA-N 457.559 5.007 30 20 JKED N#Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)c1 21377048 AUKYZSRMTVPVHD-UHFFFAOYSA-N 475.961 5.102 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)NCc2ccc(OC)cc2)cc1 22693092 CGWMIXPLTLWIQD-UHFFFAOYSA-O 481.707 6.293 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)n(Cc2ccccc2)c1C 24505764 FBTQFKGZJFYAAP-UHFFFAOYSA-N 477.977 5.459 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1C#N 28491110 ZTDXEGGTQPMSBH-RUZDIDTESA-N 489.572 5.096 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(C)c2)c1C 28793643 DAAVUBNAWFZRBT-UHFFFAOYSA-O 471.002 5.108 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 36760903 DSWQYAPBCWMHJF-DEOSSOPVSA-N 486.959 5.582 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 71937460 UEPDOLJPQFOLIV-SDNWHVSQSA-N 475.552 5.202 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2F)c1 481598317 PEQMZCYKEZUQAN-QHCPKHFHSA-N 473.504 5.417 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)c3ccco3)c2)cc1 486047192 UYNKMVDQQLRJJA-HHHXNRCGSA-N 491.547 5.130 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)c(Cl)c1 486974534 OBUYBXLKBAWGCT-IBGZPJMESA-N 483.355 5.648 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCN(CCc4ccccc4)C3)c2)cc1 491551466 SQNGPFBAPWXELY-AREMUKBSSA-N 468.601 5.018 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)C)s1 498503409 CHBRKUGOWGLFTP-UHFFFAOYSA-N 451.979 5.624 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)nnc1-c1cccc(C)c1 500754539 NTOQWUVFVMLXAB-UHFFFAOYSA-N 483.597 5.977 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 507805843 KWTCZAPJFPAZBU-UHFFFAOYSA-N 475.980 5.060 30 20 JKED CN(C)[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1Cl 509912651 PBLYWEMXPZTJHO-RUZDIDTESA-N 462.981 5.409 30 20 JKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 510022457 DPXOBXWRNKBZHR-QHCPKHFHSA-N 474.992 6.023 30 20 JKED C[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Oc2ccccc2)cc1 510416470 ZKIPIPYVHQTXGS-FQEVSTJZSA-N 468.557 5.472 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CCOCC2)cc1 510619172 UUXUTQPZUSZCMB-UHFFFAOYSA-N 499.611 5.600 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 510748023 DXCGJJOAGNVSIT-JOCHJYFZSA-N 484.556 5.409 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 511577897 WXPRDIIWOIWHEQ-XMMPIXPASA-N 464.972 5.730 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2OCC(F)(F)F)nnc1-c1ccc(Cl)cc1 511585667 CMWQVXAEKBTXNI-UHFFFAOYSA-N 496.942 5.765 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(OC(F)F)cc2)o1 514357538 SGONISPEDAXDTH-ZDUSSCGKSA-N 451.520 5.095 30 20 JKED Cc1ccc(-c2cc(-c3nnc(S[C@H](C)C(=O)N(C)CCC#N)o3)c3ccccc3n2)cc1 514745508 NWJIMNSNNBCRAG-QGZVFWFLSA-N 457.559 5.113 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 516477654 LJMFDJSDQBVCLU-RBBKRZOGSA-N 466.006 5.899 30 20 JKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 517119860 WTYMYPAAMNWXTM-SFHVURJKSA-N 461.949 5.143 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 517808961 ULMHBTJTSULCJE-UHFFFAOYSA-N 474.948 5.570 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 518683663 ZKXPUJCTRCGCRG-WMZOPIPTSA-N 465.554 5.539 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 519509005 UNGZJDFPWQLTEC-HXUWFJFHSA-N 492.587 5.044 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc(-c3ccccc3)nc21 519515679 REWRJEUOPQZPGD-SFHVURJKSA-N 455.587 6.326 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)o1 520194089 DXSZACKOOOXTRY-OSPHWJPCSA-N 455.514 5.197 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)cc2)cc1 520561991 IDUOPENAQYEFAL-MHZLTWQESA-N 475.504 5.545 30 20 JKED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc(-c2ccccc2)cs1 521703342 DUVDZLTWFIFEDN-QFIPXVFZSA-N 458.564 5.274 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F 524140664 KTXDMBJVKYHZLP-UHFFFAOYSA-N 456.468 5.668 30 20 JKED CC[C@@H](C)Oc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 557281683 HYJJZQDDVNJWFZ-GOSISDBHSA-N 459.571 5.719 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 588741151 TXFOCNBURZNHKD-HSZRJFAPSA-N 499.533 5.212 30 20 JKED C=CCN(C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590614170 ZTXDIYQZWFCDNV-FQEVSTJZSA-N 484.965 5.158 30 20 JKED O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590828365 XIMHPOJOVCBFCD-KBPBESRZSA-N 482.371 6.138 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)cn2)c1 603622724 CYDJKZWFZFCUNE-UHFFFAOYSA-N 459.893 5.410 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 603740197 WALHTGADAAYEKT-IBGZPJMESA-N 494.473 5.060 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)nc4)cc3C2=O)c1 603764997 RBMXOXJFSLYCQU-UHFFFAOYSA-N 488.503 5.415 30 20 JKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603962714 WBXXQDFYRRCUSR-SFHVURJKSA-N 460.555 5.238 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603992359 SCKJWQOBVXJWGX-QFIPXVFZSA-N 463.990 5.432 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)c2)c1 603995488 FPZBGGGFEYHMJZ-LJQANCHMSA-N 493.489 5.079 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2cccc(Cl)c2Cl)cc1Cl 604145963 RWUIBZZKLZGSTR-LJQANCHMSA-N 486.786 5.600 30 20 JKED Cn1c([C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2)nc2ccccc21 609059058 VXGQCIVBCXYCDF-AREMUKBSSA-N 462.509 5.136 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)cc2)c1 609073675 RDALUCLTWVNNEO-UHFFFAOYSA-N 487.968 6.357 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 609370889 GLBKIKZZVNMTJW-HNNXBMFYSA-N 495.029 5.811 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(F)c(Br)c1 609378556 VHTUEEAQURPWMY-UHFFFAOYSA-N 461.278 5.794 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 609425984 JRJJVMWQNJJODT-UHFFFAOYSA-N 470.510 5.201 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c12 609427502 FQJGJFFKRAWGCA-MRXNPFEDSA-N 468.586 5.648 30 20 JKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H](C)Cc1ccc(OC)cc1 609434040 QUOMCAYBDVSCEK-NRFANRHFSA-N 457.574 5.939 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 609437662 IAYPTRGANLTRPI-AUSIDOKSSA-N 455.583 5.194 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc2cc(Cl)ccc2s1 613404140 ZRLOVSLPILGYGK-AWEZNQCLSA-N 452.944 5.939 30 20 JKED O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 618543371 QNFHQUVGCZNVIE-IYBDPMFKSA-N 491.407 5.350 30 20 JKED O=C(NCCCc1cccc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620148474 CJGADXNEHFSBRT-ZIAGYGMSSA-N 450.345 5.410 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccc(Br)cc2n1 620304529 JMTIRYHJEAMXCY-OAHLLOKOSA-N 484.325 6.198 30 20 JKED C=CCN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc(-c2ccccc2)cs1 641900574 CUCKIRAKNBBCOX-UHFFFAOYSA-N 480.014 6.610 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1nc(-c2ccccc2)cs1 641902198 GZPVPJOSAIHYHL-LJQANCHMSA-N 481.643 5.206 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc(-c2c(F)cccc2F)cs1 726328342 IRUUGDIIEXLKER-CTWPCTMYSA-N 485.600 5.910 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCOC(C)(C)C)c1cccs1 726418219 ASLSLFYASSRUJZ-OLKASRBJSA-N 477.627 5.092 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(CCC(C)C)C1=O 726421169 LNPABRYUFHBKDP-BWXASHAWSA-N 459.637 5.193 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(OC)c2)cc1 726570713 IVKRTPZMAKWAFM-UHFFFAOYSA-O 493.052 6.735 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(CC(C)C)cc2)c1 726571290 QWKCBHPQTOXEJR-UHFFFAOYSA-O 463.026 6.329 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(CC(C)C)cc2)cc1 726571367 VJFAQWRAERQADE-UHFFFAOYSA-O 463.026 6.329 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 726572823 HCPCETHPIZJDHE-UHFFFAOYSA-O 461.610 6.178 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2cccc(O)c2)c1 726572931 KQXCUOZKHIAKMI-UHFFFAOYSA-O 461.566 5.556 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2cc(O)ccc2C)c1 726573402 BUTHPBRFDUSPMS-UHFFFAOYSA-O 463.582 5.960 30 20 JKED CC(C)CC(=O)N[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 727627697 PAJNQTMVGZZYMF-DENIHFKCSA-N 451.979 5.543 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728116734 QFTNYNWWYNAGNC-OAHLLOKOSA-N 466.353 6.277 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 728150568 RXQIPJFBTTZDKL-VWNXMTODSA-N 477.486 5.663 30 20 JKED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)N1CCOC1=O)c1nc(-c2ccc(Cl)cc2)cs1 728412841 XUAXGFGDDPHSHR-ICSRJNTNSA-N 451.935 5.223 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CC(c3ccccc3)C2)C1=O 728421612 XYWAUODTQBJBSN-KJXMEXGPSA-N 462.402 5.007 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(Br)cc2C)cs1 728432894 HKSJRFSYKVMCMR-UHFFFAOYSA-N 463.788 5.998 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCCC#N)c1 728778835 GBRGWVKMBRCVSP-NRFANRHFSA-N 498.530 5.341 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 729244575 CJBFXKWMGJBYKV-SANMLTNESA-N 457.961 5.281 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)cc1 730687231 MKVVTBJPTFANDY-LAUBAEHRSA-N 458.537 5.283 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cocn3)C2=O)c1 730714464 ZBPXMJZZHOOMSU-JOCHJYFZSA-N 462.575 5.069 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cocn1 730718617 MKDKRLRZAAFGEY-HXUWFJFHSA-N 468.966 5.051 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccccc2SC[C@@H](C)C#N)c1 730954904 NYIWFXIHOIJGLC-INIZCTEOSA-N 476.693 5.086 30 20 JKED CC(C)COC(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1 730994305 JFRNDEQDGKWAKI-UHFFFAOYSA-N 457.518 5.154 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C2SCCCS2)cc1 731063103 HVLINBJAXIKIDP-INIZCTEOSA-N 472.657 5.603 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C[C@@H]2CCOc3ccccc32)C1=O)NC1CC1 731152684 SRAQYBGSTBOXAL-UQBPGWFLSA-N 485.609 5.006 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)cc1F 731306824 BXCIOCQGGGPZCO-HXUWFJFHSA-N 483.590 5.370 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 743524301 IYDKINXQJAXZEY-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED COc1ccc(-c2nn(CN(Cc3ccc(C#N)cc3)CC(C)C)c(=S)n2C[C@@H]2CCCO2)cc1 746055926 KZMKKRNYKDLRHS-VWLOTQADSA-N 491.661 5.256 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(C)o2)CC3(C)C)on1 746256540 LWHUMHWHLDOFQU-VURMDHGXSA-N 477.542 5.391 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCOC(C)(C)C)C2=O)c1 746697816 MRVKTTVVPGOCHD-FQEVSTJZSA-N 490.025 5.124 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)c1 747601688 FTHHJJCBMMMUIC-FQEVSTJZSA-N 468.579 5.005 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2nccs2)cc1 747601810 HXEAXELJVJEGJC-OAQYLSRUSA-N 478.643 5.470 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 748104365 DQJOFOXQSHKNHW-QHCPKHFHSA-N 476.939 5.124 30 20 JKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 750706765 WZKKPEYWJPOHRF-OAQYLSRUSA-N 478.593 5.300 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1-c1ccccc1 750911185 OWVJGDODXBOAKM-HSZRJFAPSA-N 477.561 5.099 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1 751014053 MXRHYEJNZVBMPJ-UHFFFAOYSA-N 459.615 7.415 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(F)cc2F)=C(/O)c2ccc(C#N)cc2)cc1 762436526 AWKODRZUXJCQAU-UHFFFAOYSA-O 450.534 5.745 30 20 JKED C=CCOc1ccc(/C=C\C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1OC 769674052 JWSGDVXGMWZFQH-SQFISAMPSA-N 473.550 5.646 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CC(F)(F)F 799212648 WJTQRUQCGUSAAI-KRWDZBQOSA-N 469.916 5.479 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837644103 WYHSNIDBQOHXRA-CYFREDJKSA-N 488.613 5.429 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1F 837773212 HPGDVKQOCGBERN-IBGZPJMESA-N 475.517 5.326 30 20 JKED COc1ccc(Cl)cc1NC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cccc(C#N)c1 839392520 MYPQUHOFVXCYOL-VWLOTQADSA-N 486.959 5.399 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 843419733 ROOWKXKWMVOKAS-WAYWQWQTSA-N 488.409 5.535 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C2CCCCC2)c1 867718289 ZGQKEJDVYTVUOT-UHFFFAOYSA-N 477.026 5.135 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)s2)cc1 875068798 GMDYEABLBTWDKZ-DEOSSOPVSA-N 465.534 5.312 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)NCc2cccs2)cc1 912837802 OBNOWOKWWDPBSM-UHFFFAOYSA-O 494.706 5.786 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N([C@H](C)Cc2ccco2)C1=O 914690885 ILNZHJKXUPSUKQ-WZONZLPQSA-N 477.586 5.188 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)[C@@H](C#N)c4nc(C)cs4)o3)c3ccccc3n2)cc1 914870334 PFGVQTZWVTXFPI-HXUWFJFHSA-N 497.605 5.994 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)[C@@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)cc2)cc1 914870833 KVGIEIYQGYSKRC-OAQYLSRUSA-N 476.479 5.284 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cc(Br)ccc2OC(F)F)S1 915849067 SXOTVHAPQYKAHG-DHDCSXOGSA-N 453.308 5.559 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(C)cc2)[n+]2ccc(C(C)(C)C)cc2)C=C1 916203068 RGNMNMWNODVRID-UHFFFAOYSA-O 475.634 6.164 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccccn3)C2=O)cc1 916214408 NOPNKZWLCPZJAG-JOCHJYFZSA-N 495.004 5.294 30 20 JKED Cc1ccc(C)c(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)c1 916232920 QEZLNWCLADISTL-MRXNPFEDSA-N 455.889 5.224 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=Nn1c(C)nc2ccccc2c1=O 916293504 RHOMFBQQYPAUGX-UHFFFAOYSA-N 460.752 5.101 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2cccc(OCC#N)c2)nnc1-c1ccc(Cl)cc1Cl 916410834 GGJQOYFXYSZMMQ-UHFFFAOYSA-N 490.416 5.541 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1Cl 916938237 ISWSOBJTEKKLOH-QGZVFWFLSA-N 481.984 5.241 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2[N+](=O)[O-])n1 916940502 UPBBFYIDHIKHFV-CYBMUJFWSA-N 490.925 5.265 30 20 JKED N#C[C@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042048 AZETZOBOHDAWTJ-CTNGQTDRSA-N 493.510 5.533 30 20 JKED Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 917042195 DGNXOKULHFPKNA-MRXNPFEDSA-N 489.569 6.862 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)[C@H]1c1ccccc1OC 917047275 VHBCWHXEZCXUPV-XLNZFTOWSA-N 496.032 5.915 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2cnn(-c3ccc(Br)cc3)c2)cc1 917144695 CSVPSYIQQJGBDF-BASWHVEKSA-N 453.340 5.061 30 20 JKED CCCCCCNC(=O)[C@@H](C#N)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 917424542 FOFJHEHKAVZOEX-INIZCTEOSA-N 463.962 5.120 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 917677679 HIKNESGTPBDTJV-NRFANRHFSA-N 496.495 5.034 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)c3ccccn3)C2=O)cc1 917703893 DDCAEEJNBBRPGS-MHECFPHRSA-N 499.596 5.073 30 20 JKED COc1cc(/C=C\C(=O)N(CC(C)C)c2ccc(C#N)cc2)ccc1OCc1c(C)noc1C 918573532 XCGAMDBRVRXKNG-LCYFTJDESA-N 459.546 5.453 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccc(Cl)cc1Cl 919513296 HACJMLRPGIRGHL-CYBMUJFWSA-N 459.285 5.221 30 20 JKED CO[C@H](C)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1sccc1C)CC2(C)C 919594310 WHRCOEHIQWOILY-IDTUSYRASA-N 470.616 5.284 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920140340 FBZZPIOHGGJFGS-HXUWFJFHSA-N 469.595 5.453 30 20 JKED Cc1ccc(OCc2nc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)cs2)cc1 920364382 UQNLXCULYMRLRM-UHFFFAOYSA-N 472.595 5.660 30 20 JKED COc1ccc(OCc2nc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)cs2)cc1 920365584 XDCCYTXDTHYBQR-UHFFFAOYSA-N 492.413 5.467 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1C 920983781 NDHQCXFFYWJPKI-HSZRJFAPSA-N 495.645 5.224 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)cc1 921011062 MWAVGLNJSOXCQD-UHFFFAOYSA-N 481.961 5.041 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)COCC(F)(F)F 921253840 PZZXGUXMRZHTAD-HKUYNNGSSA-N 493.551 5.231 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc(Br)c3c(c2)OCCCO3)S1 921259785 ZHENMFFJDMQNCB-GZTJUZNOSA-N 459.365 5.119 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)cc2C(F)(F)F)C1 1783060857 DIXVUMAAPWZSTM-ZJSXRUAMSA-N 498.973 5.255 30 20 JKED Cn1c(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)cc2ccccc21 1785881845 SHKSCPGYBZBCMZ-UHFFFAOYSA-N 462.553 5.040 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)c1 1786041691 WXJRORBDFGJJCM-UHFFFAOYSA-N 490.563 5.594 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CCC2)cc1 1786365849 SUEOAULMOHVNMH-FGZHOGPDSA-N 468.544 5.185 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)nc1C 1787171789 GDVUSSPTSYZDRZ-UHFFFAOYSA-N 458.949 5.285 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4cc(Br)ccc4c3)CCC2)cc1 1787887457 CRFYCIMINLPQNK-UHFFFAOYSA-N 476.374 5.654 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nccnc5c4)cc3)CCC2)c1Cl 1789064301 OFUJMWFPVANDCE-UHFFFAOYSA-N 481.943 5.216 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789154168 MPDKCDYLTBOSAK-ZMYCZXHXSA-N 475.976 5.290 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4ccc(Br)cc4n3)cc2)CCC1 1789362008 OVLVGQOKXSQIIM-UHFFFAOYSA-N 477.362 5.049 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)COc3ccc(Br)c4ccccc34)cc2)CCC1 1790352980 KGRUMKALVXHHJG-UHFFFAOYSA-N 492.373 5.029 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(NC(=O)OC)c3)cc2)CCC1 1790587203 LSEVPOJLYFVICZ-QHCPKHFHSA-N 461.562 5.381 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccco5)no4)CCC3)cc2)cc1 1790706097 CMPDWCCSCBSCIF-UHFFFAOYSA-N 466.497 5.062 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(C(C)=O)cc3)CCC2)cc1 1791244054 KHBQQHSAUAMSPZ-HXUWFJFHSA-N 462.590 5.395 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791252480 RAGOUODFUJDWCO-SIKLNZKXSA-N 469.626 5.122 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OC)c3Cl)CCC2)cc1)C(F)(F)F 1791302524 OXSMZCDXEXGZEE-UHFFFAOYSA-N 482.886 5.223 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C3(C)CCC(NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791589463 BPEAMULDMPELFQ-UHFFFAOYSA-N 469.626 5.170 30 20 JKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)COc5ccccc5C#N)cc4)CCC3)ccc2n1 1792240627 MEQHLKNRNPIHAF-UHFFFAOYSA-N 490.563 5.242 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2cccc(C(F)(F)F)c2)[nH]n1 1794715629 DMQPKPHZKCVWDB-ACDBMABISA-N 488.554 5.340 30 20 JKED Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)c(F)c2)C3)c(C(F)(F)F)o1 1795141045 NZZXWJIIUFPGTO-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](CCC)CC1)C2 1800131544 FQWHTVSFVURGKB-JHXGOWNISA-N 489.701 5.091 30 20 JKED CCCCCc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)s1 1801302271 MTHRYGSKSVCFQM-MVWVFHAYSA-N 464.635 5.068 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCCCC(=O)OCc2ccccc2)C1 1802081576 AVGBGIMCDISATN-OOSCYNTBSA-N 480.649 5.065 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)C1 1806027448 WZOCMXBDNLGEHJ-HSZRJFAPSA-N 497.639 5.338 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H](F)c3ccccc3)C2)CC1)c1ccccc1 1806519801 GRDJSGIIHWNPED-UIOOFZCWSA-N 460.593 5.126 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1808462905 ZZFQKXFYGWHBLA-UKILVPOCSA-N 486.616 5.357 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1808740064 IOTUVDRMORGTSF-LEAFIULHSA-N 480.612 5.232 30 20 JKED Cc1ccccc1CCC(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810270894 BRSIUIXHUICBFX-LITSAYRRSA-N 489.736 5.080 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1810415405 QZLNHIRFMJSBTO-YQXMQLNBSA-N 482.584 5.033 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc3[nH]ccc3s2)[C@@H]1c1cccnc1)c1ccccc1 1810442928 BRNQDOPCWYYAQR-VMODYCNZSA-N 496.636 5.141 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1)c1ccccc1 1810443215 FRGFLSMMMCPLNG-QXTIUPHPSA-N 491.591 5.345 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1811540077 ZTNCPAJKAONMOD-DHLKQENFSA-N 493.529 5.495 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1811821844 MMMJECIZDRUUCB-NZQKXSOJSA-N 472.416 5.476 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1811858033 IQEDUNSYBLDDGS-IGKIAQTJSA-N 488.676 5.384 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc(Br)cc(C(C)C)c3)[C@H]2c2cccnc2)C1 1811984258 SQRGTTQAPHVCRP-YADARESESA-N 496.449 5.253 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1)C(F)(F)F 1812683906 WTXBYKVFOLZMEX-NVQXNPDNSA-N 495.545 5.300 30 20 JKED C[C@H](CC(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1ccccc1 1812732283 GIPJLGDMJKDQST-FIYSCABWSA-N 489.736 5.332 30 20 JKED CC(C)c1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813869553 JTURXROLDPJYJF-VUGZHAMKSA-N 494.639 5.394 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCCCCCCCCCC(=O)OC)[C@@H]1c1cccnc1 1814223562 UTWNEKOVTBQEKC-AGJHTDJMSA-N 499.696 5.374 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)n[nH]1 1815151653 KAKPACPDHNYJAJ-FUPPJEDESA-N 464.610 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occc4c3)n[nH]2)c1 1818709067 BIXDHOICMDQAFD-SBUREZEXSA-N 467.529 5.403 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CC2)[nH]n1 1819303710 ZSBDQLXIVCHJNM-IFMALSPDSA-N 450.558 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1819307936 QSJLFGJXQIYCGV-YLJYHZDGSA-N 451.958 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)[nH]n1 1819311190 PJHJFZMSJGPVGJ-FPOVZHCZSA-N 456.974 5.146 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1ccccc1 1820224077 ZPNLOMRZERHVFY-KKSFZXQISA-N 461.953 5.044 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)c1 1820231258 NHQBRURDFWIZAE-OAQYLSRUSA-N 473.920 5.301 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)(C)C)cc3)n[nH]2)c1 1821149444 SMJHRMUSUHTZBF-XMMPIXPASA-N 485.588 5.387 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)cc(Cl)cc3Cl)n[nH]2)cc1 1821204123 VNWAPONTYUJCSF-IBGZPJMESA-N 486.334 5.347 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)c1 1821272421 NSZMQOFUIQPGDR-VWLOTQADSA-N 481.531 5.122 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821759332 WKQKOPLLLMCBOK-KIFXHHALSA-N 484.044 5.127 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1824961697 YJDAIIIUUHENTD-QHCPKHFHSA-N 472.054 5.041 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)c1 1827334593 OVHRCCCAYRWIOK-AZGAKELHSA-N 479.690 5.245 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1F 1827682073 YKEHQFSOBSIOJT-YKATVRGKSA-N 496.648 5.187 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1829068354 RISCZHJMXDPQPS-BWKNWUBXSA-N 454.655 5.411 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2Br)CC1 1829069475 ZAKKIANUQHVKMY-FQEVSTJZSA-N 476.459 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)cn2)CC1 1829183209 YQRUZFWKZJBKEM-OAQYLSRUSA-N 476.459 5.070 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC=C(C)C)CC1)c1ccc(O)cc1 1830258898 LLOWQJRVASFHNY-XNMGPUDCSA-N 464.650 5.255 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)CC1 1830801998 CQUFFIJUFMKUCE-DEOSSOPVSA-N 495.664 5.297 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)CC1 1830951041 ATDNIDOMALWTNH-BVAGGSTKSA-N 490.644 5.556 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1831446178 FVPREICILVJFGS-QFIPXVFZSA-N 496.558 5.268 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832704778 UMNRQTQWPVYPDI-HHHXNRCGSA-N 498.627 5.073 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 1838373923 USUDFLRSEZKQKH-HSZRJFAPSA-N 478.555 5.086 30 20 JKED Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cccc(C#N)c2Cl)C3)c2ccccc12 1847152574 ZBPIDHVBCIPVHT-UHFFFAOYSA-N 471.988 5.123 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc3c(c2)CCCC3)cc1 10172849 WGNGUWRIQIOODE-UHFFFAOYSA-O 495.615 6.629 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(SC(F)F)cc1 11114402 UTWZGHBXWPTECQ-UHFFFAOYSA-O 477.647 6.580 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccc(Cl)c(Cl)c1 11158558 TUIBZFIWVUWEPT-UHFFFAOYSA-O 475.377 5.802 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Cl)c2C)cc1 11258739 KHRQZCQPSJCZMV-UHFFFAOYSA-O 450.027 6.038 30 20 JKED C=CCNc1nnc(SCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)s1 11392690 YYIDBRMQWUBZBR-UHFFFAOYSA-N 471.555 5.588 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c(C)c1 16669710 MPWGHETWLPNDHC-UHFFFAOYSA-N 488.592 5.092 30 20 JKED C[C@@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18527651 GBMKIJFZRGQFEN-OAHLLOKOSA-N 486.684 5.941 30 20 JKED CC(C)Cn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2ccc(Cl)cc2c1=O 22054874 NCTMFIJAWQWLDH-MRXNPFEDSA-N 487.000 5.272 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2OC)cc1 22686022 BMMZDYQJWKZOJA-UHFFFAOYSA-O 469.577 6.215 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22800120 KPCACVQVIARCKT-UHFFFAOYSA-O 486.032 6.514 30 20 JKED C=CCn1c(SCC(=O)Nc2cccnc2Cl)nc2sc(-c3ccccc3)cc2c1=O 23559812 OJCUBRUQSOMPOX-UHFFFAOYSA-N 468.991 5.090 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23604624 GZFXKCJXJFDMOP-UHFFFAOYSA-O 485.471 6.030 30 20 JKED COc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 25838585 HMWMMINGMMHSDC-UHFFFAOYSA-N 465.893 6.103 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)s2)cc1 25941649 AERJKSGOMIRRFU-UHFFFAOYSA-N 471.439 5.201 30 20 JKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 29558435 WTARYBUNPVHDQI-OAHLLOKOSA-N 479.433 5.798 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)c2)c1 32289002 LJIHNVRUYQMOMG-UHFFFAOYSA-N 453.523 5.703 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl 195612616 HMOXXJWUKGKWDE-UHFFFAOYSA-N 481.343 5.283 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2-c2ccc(Cl)cc2)c1 255933170 FTQDUSXJFAUMHC-UHFFFAOYSA-N 465.991 5.560 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 409758469 FNNFJZIYFQDLBJ-OAQYLSRUSA-N 455.283 5.227 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c1 479867222 VOLHCDFJAQKXQE-UXHICEINSA-N 494.640 5.073 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 485484197 ZUXVNHMOCRTIRA-UHFFFAOYSA-N 493.966 5.501 30 20 JKED C=CCN(Cc1cccs1)[C@H](C)C(=O)Nc1ccc(Br)cc1Br 499047520 HECYIELRSKFYSN-GFCCVEGCSA-N 458.219 5.288 30 20 JKED CC(C)Cn1ccc2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)ccc21 500077214 YEAGRIMIFWIIFQ-UHFFFAOYSA-N 456.506 5.235 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 508242546 NAMXRAQLMJJCHG-QGZVFWFLSA-N 485.544 5.526 30 20 JKED C[C@@H]1CCCN(Cc2ccc(CNC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2)C1 510251368 FBSFMYLBOTUSMD-GOSISDBHSA-N 492.674 5.256 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1nc2cc(Cl)ccc2s1 515540346 LWUPGFWHPINEOC-RXVVDRJESA-N 473.941 5.382 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N[C@@H](C#N)c4cccc(Cl)c4Cl)cc3C2=O)c1 518207933 ZUILIHFRMLSSCE-FQEVSTJZSA-N 478.335 5.406 30 20 JKED COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1NC(=O)c1cccnc1 518800681 VRDIKVGUQGXQNQ-UHFFFAOYSA-N 494.576 5.759 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)cc1Cl 519107126 SKIBFUPVLBQPMI-BDYUSTAISA-N 494.982 5.370 30 20 JKED Cc1c(Cl)cccc1Nc1nnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 519413119 BYUGQCNPJUUQAN-ZDUSSCGKSA-N 490.079 6.369 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N 520447706 DXSGBLAGPOPTRM-MRXNPFEDSA-N 467.447 5.544 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccnc3SCc3ccc(C(N)=O)cc3)cc2)cc1 520556180 FPBGEXQKFSZKLT-UHFFFAOYSA-N 480.549 5.389 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1)c1ccccc1 520603453 JAIQEFRJABLEBB-MHZLTWQESA-N 482.584 5.657 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1OC 521726912 SRZOATJYNXYYAU-HNNXBMFYSA-N 453.589 5.260 30 20 JKED C=CCN(C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1nc(C(=O)OCC)cs1 522841360 ZYRHPLSRPZATGJ-UHFFFAOYSA-N 474.913 6.040 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@@H]1CCc2ccccc21 523249350 KKNKMVKKLXPCIL-XMMPIXPASA-N 469.541 5.224 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1ccc(COc2ccccc2Br)cc1 524023477 XIOWFBQUIJLLQY-UHFFFAOYSA-N 466.335 5.358 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 524616891 FWUUQBIWCHAPIN-MRXNPFEDSA-N 496.570 5.042 30 20 JKED N#CCCSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 561153031 CQIKVXYLHLQMRB-MRXNPFEDSA-N 462.402 5.490 30 20 JKED O=C(NCCc1coc(-c2ccc(F)cc2)n1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588279892 KQUYNQKECGRYKP-CHWSQXEVSA-N 467.385 5.232 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 588739343 MTKAQFKRPNMYSD-MRXNPFEDSA-N 450.354 5.459 30 20 JKED Cc1c(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)sc2nc(C(F)(F)F)ccc12 591222996 SJLGAHPGSVAREL-UHFFFAOYSA-N 467.366 5.550 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 602227464 MHKAIDXSFMCAAH-UHFFFAOYSA-N 491.576 5.719 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCC(c3ccccc3)c3ccccc3)c2)c1 603697229 UIFFDBBOZLPTFQ-UHFFFAOYSA-N 489.575 5.414 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603921185 OXSPQTZTZHDQOP-NDEPHWFRSA-N 494.595 5.135 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2)c1C 604241598 BFZPMMPNDWFTMO-UHFFFAOYSA-N 498.564 5.416 30 20 JKED Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCCCC1 608796593 CRRWANLFQBIDMP-UHFFFAOYSA-N 468.557 5.011 30 20 JKED CN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)c1ccc(C#N)cc1F 609217761 RKYWNTJFTDEKCF-UHFFFAOYSA-N 468.271 5.081 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC1CCCC1 609404744 PWKJHZBOAYVRAP-ROUUACIJSA-N 481.618 5.084 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(COc4ccc(F)cc4)nc3C)n2)cc1 613314227 CWCKYTCTBWVADT-LJQANCHMSA-N 463.559 6.092 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(S(=O)(=O)N4CCCC[C@H]4C)c3)n2)cc1 613317966 AMUZHTYCTARDTM-XMSQKQJNSA-N 479.627 5.172 30 20 JKED CC(C)Cn1c(=O)nc(O)c2c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc(C(C)C)nc21 613407058 GMIWLZRMEXAVLR-HNNXBMFYSA-N 495.992 5.030 30 20 JKED CCCCCn1nc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc2c1=O 613407527 XCIPDJSXXMYUTM-QGZVFWFLSA-N 450.951 5.340 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H](C(F)(F)F)C2)nc2sc(-c3ccccc3)cc2c1=O 613900684 XKXLREZZPKUQIU-INIZCTEOSA-N 493.576 5.204 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCC2)nnc1[C@H]1COc2ccccc2O1 613907140 AOISMXVGYOAJHU-ILBGXUMGSA-N 490.629 5.116 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(N2CCCC2=O)cc1 726244871 OLPAVFGAVFRPTC-FQEVSTJZSA-N 470.548 5.297 30 20 JKED N#CCCCOc1cccc(/C=C2\SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)c1 726800965 BUHISBKZQNGPJO-AQTBWJFISA-N 462.568 6.090 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CC(F)(F)F)cc1Cl 726891667 PMVIZJVPVMNJJC-QGZVFWFLSA-N 485.915 5.180 30 20 JKED N#C[C@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccccc1Oc1ccccc1 727953859 PXGAZXYOZBRINM-ISXHGUMTSA-N 466.537 6.161 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 728109862 DWVRZXNIAAABNZ-ZDUSSCGKSA-N 492.837 5.586 30 20 JKED COc1cc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC(=O)O 728438648 JNQXMQPILFOQOA-XNTDXEJSSA-N 455.919 5.148 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c1C 728737788 KKPJOXUONYDSAI-MHZLTWQESA-N 497.643 5.491 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728778556 DCTUWFNPCNXFNA-JOCHJYFZSA-N 499.036 5.701 30 20 JKED Cc1ccc(-n2c(-c3ccncc3)nn(CN3CCC(Oc4ccc(C#N)cc4)CC3)c2=S)cc1 728903038 HONKYWTXEVHCMJ-UHFFFAOYSA-N 482.613 5.146 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)cc1C 729631103 JNAPTHFLYJZVDM-QHCPKHFHSA-N 494.567 5.446 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 729634497 MZKUAPVZJKTDNB-NRFANRHFSA-N 482.968 5.343 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(OC(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 729670773 YZTUBVYGVOGVSP-UHFFFAOYSA-O 495.621 5.489 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730944832 GNXCPNDFXNCFPJ-MHECFPHRSA-N 490.604 6.066 30 20 JKED O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 730964024 VAUFZJULWWMGDE-UHFFFAOYSA-N 497.714 5.316 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 730989060 GORKQGILNKGQRZ-ZTTJQHCASA-N 468.022 5.625 30 20 JKED C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731081206 ZXUKGNZXGQPJIK-KGLIPLIRSA-N 467.374 5.337 30 20 JKED COc1ccc(C(=O)/C=C\c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1NC(C)=O 731159615 UJAGMXQPKZEZPW-BENRWUELSA-N 451.954 5.822 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1C 731310703 NUFQQPGHEYZPAG-NRFANRHFSA-N 465.600 5.231 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 742442782 SZMSGMUPELNWHD-QHCPKHFHSA-N 473.550 5.214 30 20 JKED C#CCN(C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12)C1CCCCC1 744812334 LJUGBMMVFZNUMN-DEOSSOPVSA-N 459.590 5.295 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccc2C(F)(F)F)C1=O)NC1CC1 745584168 MTZQUGDCTDAXHX-GOSISDBHSA-N 481.927 5.159 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CCCOC2CCCC2)C1=O 747043874 MWWBZNNJILPNNV-XMMPIXPASA-N 495.645 5.313 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2cscn2)c1 747601749 HAFPCSVRDBRWJB-QFIPXVFZSA-N 492.626 5.069 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCC(=O)c2ccc3ccccc3c2)n(Cc2ccccc2)c1C 762680731 HGWNUCFDPWKTIN-UHFFFAOYSA-N 493.563 5.323 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@H](C)c2cccnc2)c1 837381475 JWQWIMQFZPTXSF-VGOFRKELSA-N 489.557 5.020 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@H](C)c2cccnc2)c1 837383903 IZSKDRXHBGTZKG-JPYJTQIMSA-N 493.032 6.073 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1C 837403115 ATPHCYAKWDARPM-WZONZLPQSA-N 476.577 5.559 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(Br)c1 883977677 RMJOBPSWCSSTOP-RKDXNWHRSA-N 484.181 5.690 30 20 JKED C[C@H](OC(=O)c1ccccc1SC(F)(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 914948695 XLMUBWQOCJRIEP-LURJTMIESA-N 459.314 5.178 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ncccc2C(F)(F)F)cs1 915050426 PCLIBZATQLMIEV-UHFFFAOYSA-N 473.402 5.706 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1 915085647 OIYVBNPXEILRTB-JOCHJYFZSA-N 472.595 5.222 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102215 OSCPCHIPGGWSQC-GOSISDBHSA-N 495.395 5.457 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915352429 KTKHQXHGRVHWPS-ZEQRLZLVSA-N 455.949 5.640 30 20 JKED C=CCN(C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O)c1nc(-c2ccccc2)cs1 915814270 MLRRCDWOUZSDOF-UHFFFAOYSA-N 465.575 5.367 30 20 JKED COc1cc(/C=C2\CSC/C(=C/c3ccc(OC(F)F)c(OC)c3)C2=O)ccc1OC(F)F 916133357 IUMCZHVRUPIEMF-BSHIDLADSA-N 484.467 5.690 30 20 JKED CCCOc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1OC 916273181 UZXZPSMVVRFVLT-UHFFFAOYSA-N 467.978 5.766 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)n2)cc1 916628494 UYJJPAZESPBTDQ-XPGIJCKBSA-N 455.421 6.029 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916885939 ANTJDGRZBAPBDH-FQEVSTJZSA-N 493.510 6.105 30 20 JKED N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1Oc1ccccc1 916906954 FXTAQGGQXFDKGB-LJQANCHMSA-N 470.472 5.937 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1cccc2ccccc12 916917619 DYTYVPVZWKKSMA-FQEVSTJZSA-N 458.905 5.213 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C\c3cccs3)n3nnnc3-c3ccccc3)n2)cc1 916974979 SYJFAHLAPLVCHH-VSIOZEBNSA-N 494.605 5.708 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc2ccccc2n1C(F)F 917041819 XMKRBYNLCPOIMU-FQEVSTJZSA-N 472.470 6.528 30 20 JKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1Br 917559313 HSNBKKJNDSINJB-TWGQIWQCSA-N 475.339 5.634 30 20 JKED Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3Oc3ncccc3C#N)c3ccccc3C2=O)cc1 917600812 AXUKYSZLSWAWDS-HKOYGPOVSA-N 472.504 5.694 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)c1 917663526 RMIURODXGRJGGK-REHUZNOOSA-N 494.636 5.030 30 20 JKED FC(F)Oc1ccc(-c2nn(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(=S)o2)cc1 918733925 ARTHHSMTDLADAO-QWRGUYRKSA-N 477.377 5.494 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc3ccccc23)n(Cc2ccc(F)cc2)c1C 919365927 FWGRMKBBUSOUEJ-UHFFFAOYSA-N 475.545 5.103 30 20 JKED N#CCOc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)c1 919844553 WZEQGOFCCQBTAC-UHFFFAOYSA-N 459.303 5.214 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)n2)cc1 920141265 NFZJSPCCDXTZAH-HXUWFJFHSA-N 490.997 5.790 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cc(C)on3)C2=O)cc1 920353195 CRKQEVPXYKWGRZ-JOCHJYFZSA-N 496.564 5.071 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)cc1 920355926 QUKVPTSSRMIMAA-QFIPXVFZSA-N 462.575 5.069 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3c(C)noc3C)C2=O)cc1 920360434 YGXIHBDMFRSKBV-VWLOTQADSA-N 498.608 5.914 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807006 VLXRBHOSOZKTPG-UWJYYQICSA-N 492.551 5.129 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/Cc3c(F)cccc3C2=O)cc1OC 921263988 MXXDHCATPMTTRE-YBEGLDIGSA-N 481.907 5.336 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2sc3ccccc3c2Cl)C1 1778575182 AGNHMPDLBYAXPF-CNDUHNDJSA-N 487.065 5.451 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C2)C1 1780205047 PSFXJJDSJWDAOP-JHOBJCJYSA-N 485.628 5.026 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1786365991 CKJXQGPBDWYJLV-CCEZHUSRSA-N 458.558 5.563 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1786366830 YBQWFSOHLVEIKZ-UHFFFAOYSA-N 487.625 5.885 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cc(F)ccn4)cc3)CCC2)c1 1786824307 WSZQNQWXJTUUEP-LJQANCHMSA-N 470.548 5.228 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)cc2)CCC1 1788601483 OHPSKDFKDWCZQL-KNQAVFIVSA-N 469.626 5.192 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3C)CCC2)cc1)c1ccccc1 1789602534 UHBQEENDOHLFFP-XMMPIXPASA-N 455.558 5.236 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ncc(C(F)(F)F)cc4Cl)CCC3)cc2)c1 1790146385 LLORPMLRWABTMK-UHFFFAOYSA-N 487.869 5.015 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)c(C#N)c1 1790474575 LSYFQQFGHACJCF-UHFFFAOYSA-N 490.563 5.105 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3F)cc2)CCC1 1790584896 FMZIPGYXCIMTNI-UHFFFAOYSA-N 468.594 5.281 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)cc2)CCC1 1790814787 GBVKKSJQAUQLSS-NRFANRHFSA-N 493.560 5.128 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4cccn4)cc3Cl)CCC2)cc1 1791584524 QXFXXZMBRDNZJR-UHFFFAOYSA-N 460.965 5.077 30 20 JKED CNc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1 1792122578 NMUKQHZLGJHXDF-LJQANCHMSA-N 452.558 5.417 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5c(Cl)cccc5n4)CCC3)cc2)c1 1792123502 FZURTMKDXWIFFM-GOSISDBHSA-N 497.986 5.676 30 20 JKED Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168435 AANXKJZLCYZSIN-UHFFFAOYSA-N 457.530 5.308 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3(C(F)(F)F)N=N3)cc1)C2 1792572782 VJMLZLKTZBJGAB-REPLKXPHSA-N 462.516 5.112 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(F)c(Cl)c2)c1 1800709165 OYCMWPIRUUFNGC-CODKJTEISA-N 474.363 5.325 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1802501483 YPDUNAFGTMNPDB-SVBPBHIXSA-N 482.628 5.456 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1803091960 HEPRRTVOBWIYMU-MBSDFSHPSA-N 490.406 5.616 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3c(Cl)cncc3Cl)C2)CC1 1804731775 FLJOLJZOXRGQFX-UHFFFAOYSA-N 450.410 5.002 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c(-c4ccccc4)noc3C)C2)CC1 1808045894 COBYJGRCAXNDIM-QHCPKHFHSA-N 461.606 5.263 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808161906 WIFQYIQSXLMUGW-YPCDYVTLSA-N 491.035 5.613 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(OC)cc3)CCC2)[C@@H]1c1cccnc1 1808226927 ULWLNFZUKPSTLX-BVAGGSTKSA-N 489.660 5.210 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810452863 KGYOHXQJNYYYPB-VSGBNLITSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1810492119 JFAXINLELMLDQR-UFHPHHKVSA-N 485.628 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)[C@@H]1c1cccnc1 1810501538 CINSWDZBYQVAMX-VJGNERBWSA-N 490.692 5.163 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1810772218 WKPXBQVOWFCZPP-BKULYWANSA-N 496.449 5.241 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 1810962768 PYRSBHVFCVRZMR-JPYJTQIMSA-N 491.941 5.267 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811466342 KJCNMDIYDLXWMI-SBUREZEXSA-N 476.379 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c(OC)c(C)c2)[C@@H]1c1cccnc1 1811550231 YRJRYVUPPHOYCI-UPVQGACJSA-N 463.622 5.019 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1812683344 NGOCFQKUVNVDKP-RCZVLFRGSA-N 493.529 5.495 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CCCCCCCCCCC(=O)OC)[C@@H]2c2cccnc2)C1 1814220362 CXIWDKGIGSUGKJ-YWEHKCAJSA-N 497.680 5.128 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCc3ccccc3F)[nH]n2)c1 1814735477 RTKKRTJKYISLOC-VWLOTQADSA-N 487.579 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)n[nH]1 1815157020 OZAADHVYBUIVKB-FUPPJEDESA-N 464.610 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(F)cc4)CC3)n[nH]2)c1 1815628221 HLTSYCRAVUUALL-MHECFPHRSA-N 485.563 5.214 30 20 JKED O=C(CCc1ccccc1Cl)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1817001312 UUEUAHGWDBUFMC-VSFZPWCASA-N 497.020 5.189 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818605359 DCYNZEASCGRZKS-GOSISDBHSA-N 473.911 5.129 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818605695 VNPGEZLFSGNUMT-FOIQADDNSA-N 451.958 5.129 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccoc3c2)[nH]n1)c1ccccc1 1819517892 AQPJXQQGDFXZBT-ZJSXRUAMSA-N 481.556 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)[nH]n1 1819555454 HSAMRPXGVCWROM-INIZCTEOSA-N 451.493 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)[nH]n1 1819555490 JFAVLFUYNPQVEG-IBGZPJMESA-N 474.005 5.155 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1820641794 GNWIFORWLAIOKS-DFBJGRDBSA-N 485.588 5.445 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820964720 UQQSSGZMKSQTKN-CVDCTZTESA-N 494.702 5.039 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)COc3cccc4ccccc34)[nH]n2)cc1 1821178391 RCMROWMLEUHXEH-VWLOTQADSA-N 493.567 5.014 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)[nH]n2)c1 1821272659 MLUPBFZCLPYJBX-HTAPYJJXSA-N 491.954 5.110 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3n[nH]c4ccc(C#N)cc34)n[nH]2)CC1 1821383924 CODMVCDEMUSLTI-QFIPXVFZSA-N 487.608 5.070 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[nH]n1 1821923056 SUEOVXWJWOCQCY-MHECFPHRSA-N 482.588 5.471 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1)c1ccc(O)cc1 1822467441 WQRGODKOLAHLTH-HFZDXXHNSA-N 495.583 5.100 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)[nH]n2)c1 1823216722 AALXRBDMCRZADF-VBKZILBWSA-N 497.386 5.358 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)[nH]n1 1823422112 MMEJPVITKNMRDD-HXUWFJFHSA-N 479.378 5.045 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cn1 1823655930 SBEGDZGBJNVPLF-QHCPKHFHSA-N 493.051 5.451 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c[nH]c4ccc(Br)cc34)CC2)C1 1823700037 FQASWCPYBNOGSV-DEOSSOPVSA-N 498.465 5.059 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)CC2)C1 1823700863 LLVUAKNHYUYXAI-VWLOTQADSA-N 492.660 5.839 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 1824232712 ACTBFDJQVCCQHY-ZEVJAHDQSA-N 470.604 5.456 30 20 JKED O=C(c1cc(-c2ccccc2)n2ccccc12)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824410980 FMSAPAVGHPUDBK-MHZLTWQESA-N 479.624 5.253 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)c1 1826504179 ZOQCKRZBOJGYRW-FQRUVTKNSA-N 478.036 5.443 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827777906 NYGCYNDDAOZBFC-OAQYLSRUSA-N 496.646 5.583 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1828608213 GNUYKKWOJUWRAO-IERDGZPVSA-N 476.543 5.027 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(F)cc2F)CC1 1828820747 DMWRMFHPWDFSDL-WVNSPRTPSA-N 456.577 5.366 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1828825676 ZTDUQZWVLLSFDX-AZGAKELHSA-N 491.632 5.352 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2SCC)CC1 1828827848 XKIALLNVVLRBBE-FCHUYYIVSA-N 455.668 5.195 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cccc2Cl)CC1)c1cccs1 1829897794 HLPQEAOJSXZDQV-XTXLJPNXSA-N 489.012 5.213 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1830274366 MCELNGYPDNRHOH-OZXSUGGESA-N 494.079 5.827 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1830633070 FVLJHRHZIQROMN-QHCPKHFHSA-N 485.962 5.231 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)CC2)C1 1830709588 ACUHARBLRFYQLJ-NRFANRHFSA-N 474.527 5.067 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c1Cl 1830718214 VLQMVGOEEHONPC-QHCPKHFHSA-N 467.972 5.206 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830755428 FJEYRBORQCAJCP-VWLOTQADSA-N 497.561 5.362 30 20 JKED C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)CC1 1831324095 YAGHOLVYDHFJRE-DEOSSOPVSA-N 482.983 5.021 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1831367594 KVLNDJPTMAEQRJ-GMKZXUHWSA-N 491.717 5.148 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 1831369165 HDGUQEDXHBTANL-AUSIDOKSSA-N 499.055 5.155 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1831446406 LDCVZTYFMAHNIK-IBGZPJMESA-N 458.471 5.150 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1)C(F)(F)F 1831449143 RTFLJVBKDOTYPF-VXKWHMMOSA-N 450.545 5.164 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1831842745 OSWXQLNQPIMWEF-IBVKSMDESA-N 487.669 5.453 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1832029599 JBSDNOPFDKIGJD-QHCPKHFHSA-N 454.998 5.513 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(c3)CCCO4)CC2)c1Cl 1832562162 FQFKUIPPHRBATH-DEOSSOPVSA-N 492.019 5.084 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 1832635674 OIOLEYPZNMPHRC-NTKDMRAZSA-N 495.570 5.462 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccccc2C#N)CC1)c1ccc(Cl)cc1 1832792463 IBBLCRALHWRLHR-NLFFAJNJSA-N 494.035 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4sccc4s3)CC2)CC1 1835538239 NAVKMKWIKKEHOC-UHFFFAOYSA-N 473.708 5.140 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc4occc4c3)CC2)CC1)c1ccccc1 1838244075 OZUUHUZQNZWQGO-MUUNZHRXSA-N 498.623 5.242 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)Cc1cn(C(=O)OC(C)(C)C)c3ccccc13)C2 1841058478 OBLDTXHBWOXOMU-UHFFFAOYSA-N 493.648 5.163 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC34CN(C(=O)CCc3ccc(C#N)cc3)C4)ccc21 1844742097 TXLAKKABMZKEKE-UHFFFAOYSA-N 490.607 5.136 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2F)C1 1846883285 ZGWVNRUCGJORAM-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2scc(-c3ccc(C)cc3)c2c1=O 8649380 BATGCLWLMHFYCK-INIZCTEOSA-N 486.622 5.709 30 20 JKED COc1cccc(NC(=O)C2=C(C)N(c3ccc(C)c(F)c3)C(=S)N[C@@H]2c2cccc(C#N)c2)c1 11559808 ASZRZUNKNMMGAP-RUZDIDTESA-N 486.572 5.363 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 18257011 WVPONICXHKBHEC-CQSZACIVSA-N 480.615 5.120 30 20 JKED C[C@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 21683377 SQCYGFSWVLMBJI-IBGZPJMESA-N 471.561 5.501 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 22733059 XNJNUPCVAFEFBF-UHFFFAOYSA-O 466.360 6.172 30 20 JKED C=CCn1c(SCC(=O)NCc2cnn(-c3ccccc3)c2)nnc1-c1ccc(C(C)(C)C)cc1 23998893 GZATUGQQCZYGLI-UHFFFAOYSA-N 486.645 5.023 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2)c1 25613329 NBVPUKLCEYEOQZ-LJQANCHMSA-N 469.006 5.555 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1nc(-c2ccccc2)cs1 26012909 HSKVHNNZBFESKW-LJQANCHMSA-N 489.626 6.135 30 20 JKED CCOc1ccc(-c2nc(COC(=O)c3cc(C4CC4)nc(SC)c3C#N)cs2)cc1OC 26984060 FFLGMACFDYASBH-UHFFFAOYSA-N 481.599 5.440 30 20 JKED C=CCN(CC(=O)Nc1c(Br)cc(C)cc1Br)Cc1ccccc1 27775496 DJIODMDFCQFRRO-UHFFFAOYSA-N 452.190 5.147 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(C(C)(C)C)cc2)c1C 28695806 GIUCKBBCQFFJKZ-UHFFFAOYSA-O 476.666 6.087 30 20 JKED CCc1cc(C#N)c(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)s1 59829089 UIRGBWDYSDYOPS-UHFFFAOYSA-N 457.895 5.797 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1 195630613 HJIGGTXGZCXOMG-JOCHJYFZSA-N 486.399 5.051 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1F 216103851 WFHOCOJWVOCQMF-CYBMUJFWSA-N 461.360 5.152 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nc2ccccc21 303085944 BGUAFEFWOIMBOP-HHHXNRCGSA-N 479.584 6.070 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1cccc(OC(F)F)c1 303135567 CVISIUVUKKJFET-QGZVFWFLSA-N 451.473 5.930 30 20 JKED C[C@H]1CN(Cc2cccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2)CCO1 409772929 NROKUWIEKVIKEE-FNZWTVRRSA-N 489.019 5.538 30 20 JKED Cc1ccccc1CN1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 481625718 MYVUXAWSDPHCCC-UHFFFAOYSA-N 472.564 5.371 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 487996613 MHHQEPZAYZADSF-JOCHJYFZSA-N 496.508 5.557 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 490633261 YHYNOXJYXAAVSS-JOCHJYFZSA-N 468.557 5.214 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CSCc2ccc(Br)cc2F)cc1 496627041 CHIYABGDFMVCIQ-UHFFFAOYSA-N 499.405 6.105 30 20 JKED COc1ccc(-c2noc(CCC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)n2)cc1 501158970 GKRVWPVAXKMWBL-UHFFFAOYSA-N 470.504 5.230 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(CSc2nccn2C)c1 501879901 IXORBPWZIUJPMW-UHFFFAOYSA-N 454.555 5.937 30 20 JKED Cc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)c(F)c1 503090552 QWVBFZIGCOWRRQ-UHFFFAOYSA-N 466.744 5.658 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1C#N)O[C@H](C)C2 504498359 MWJFCTBFZDUQPN-FHZYATBESA-N 470.594 5.717 30 20 JKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 505670945 FKOQLPUGCKHEFD-INIZCTEOSA-N 462.527 5.265 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1nc(-c2ccccc2F)cs1 506425111 XVIUWISXYUGFJR-UHFFFAOYSA-N 492.345 5.004 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4c(Br)cccc4[nH]3)s2)cc1 510966374 JCGIDDZTUKKRGT-UHFFFAOYSA-N 470.377 5.198 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 511298484 BWHSEDXVJIRILE-UHFFFAOYSA-N 463.562 5.892 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OC(C)C 511512886 MQRKHCJRNLQBIV-GOSISDBHSA-N 472.545 5.489 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)cc2)cc1 511745464 OEOFOAHJRXYLPT-UHFFFAOYSA-N 459.590 5.934 30 20 JKED C=CCOc1ccccc1CN(C(=O)C[C@@H]1c2ccccc2CCN1C(C)=O)c1ccc2c(c1)OCO2 512241251 DPEXFBRMYKHSOP-AREMUKBSSA-N 498.579 5.049 30 20 JKED C[C@H]1CN(Cc2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@H](C)O1 513982605 GCCPPZNYTBJMOG-VXKWHMMOSA-N 486.591 5.541 30 20 JKED C=CCN(C(=O)c1ccc(C)c(S(C)(=O)=O)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 514568777 MTBCHTQDDGTWCG-UHFFFAOYSA-N 481.426 5.662 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c12 515542797 GKHGYLYLEWYEDU-IBGZPJMESA-N 455.587 5.986 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)c2)c1 515676723 WVPBBCINQCXPMD-UHFFFAOYSA-N 466.522 5.377 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCCc3nnc(-c4ccccc4)o3)cc2Cl)cc1 515723171 PXNUGWXLARTURT-UHFFFAOYSA-N 458.905 6.015 30 20 JKED Cc1noc(CSc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)n1 516270036 LCAPQOWUKQRPGZ-IBGZPJMESA-N 457.540 5.156 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 517451403 CAGPLWBOUKZPKW-UHFFFAOYSA-N 469.801 5.021 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 517518569 LTBOLLQBQZCTMK-SBUREZEXSA-N 457.555 5.275 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCCC(C)C)c(OC)c3)n2)cc1 518516750 WAGUBMGCJHQFML-FQEVSTJZSA-N 450.560 5.742 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC(c2cccc3ccccc23)CC1 519438406 IHHGNAGWSHDTQU-LJQANCHMSA-N 457.599 5.436 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 520828593 LJIHDQWVOILRIG-IBGZPJMESA-N 457.599 5.582 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 520835250 DVEFILXZCSJKQU-UHFFFAOYSA-N 481.499 5.818 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)n2)cc1 522679634 ZWWUEPGRGKWDDL-UHFFFAOYSA-N 456.865 5.106 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)N(Cc3ccc(-c4ccccc4C(F)(F)F)o3)C3CC3)cc2)c1N 524296643 BVGAQNHPJHBEPY-UHFFFAOYSA-N 491.473 5.410 30 20 JKED CCOc1cc(Br)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1OCC 524380139 OJBULUNXPZZPOF-UHFFFAOYSA-N 485.334 5.542 30 20 JKED COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)c1 524442692 YNWWIYCWRKPJBT-QHCPKHFHSA-N 470.573 5.102 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccccc2OC)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596346799 YKLUSIOPKFDUEZ-IBGZPJMESA-N 470.533 5.244 30 20 JKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2cnn(Cc3cccs3)c2n1 603765177 RGVHDPWUBJXKPI-UHFFFAOYSA-N 466.526 5.161 30 20 JKED N#Cc1c(NC(=O)CSCc2coc(-c3ccccc3)n2)sc2c1-c1ccccc1CC2 603991840 CTODMIFWZFPBDX-UHFFFAOYSA-N 457.580 5.912 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 604003661 KJZGXMSCOCLRPX-YADHBBJMSA-N 450.460 6.093 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 608804017 OUSQKNHANAMWBX-ZSHCYNCHSA-N 460.374 5.370 30 20 JKED Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(COc2ccccc2C#N)o1 608871553 FQCUBCYDWVQXQM-SANMLTNESA-N 491.547 5.639 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 608918833 YJZCKYRENMTZAM-UHFFFAOYSA-N 458.528 5.162 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 609079087 ZTTUKFVUMIWDGO-UHFFFAOYSA-N 453.464 6.128 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1OC 609079968 MNRMNRIRSGLPEC-UHFFFAOYSA-N 481.936 5.138 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 609222053 PXFWAKNYVLWAGG-IBGZPJMESA-N 456.546 5.272 30 20 JKED CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)n2)o1 609414566 YTRCFLZASALVIJ-UHFFFAOYSA-N 476.489 5.095 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 609435412 NNZGJINECDTDJG-RDTXWAMCSA-N 476.465 6.544 30 20 JKED O=C(c1cc2ccccc2n1Cc1ccccc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618304314 VFHTUWCXYYWBFA-IRXDYDNUSA-N 472.404 6.032 30 20 JKED CC(=O)Nc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 618540441 PYLAKPCOEKOVHS-UWVGGRQHSA-N 465.316 5.258 30 20 JKED O=C(CCc1ccc(Br)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 621029771 VCPQWDHIIQFNDR-PJXYFTJBSA-N 464.219 5.547 30 20 JKED CC(=NNc1ccc(Cl)cc1Cl)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 725808714 KSRGTPPJCCDHMO-JOCHJYFZSA-N 482.371 5.591 30 20 JKED COc1cccc(NN=Cc2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)c1 725852818 GQWDPRQJUIDQBR-UHFFFAOYSA-N 473.451 5.186 30 20 JKED COc1cc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3F)c3ccccc3n2)cc(OC)c1OC 726367439 CGZBXVJPHHIXBM-UHFFFAOYSA-N 471.488 5.215 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 726396065 CSAOSLHXKDRAGI-UZLBHIALSA-N 493.551 5.399 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CC[C@H](C)OC)C2=O)cc1 726400822 RTPUTMUWGBFAGO-HRAATJIYSA-N 490.025 5.124 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CC[C@@H](C)OC)C2=O)cc1 726400827 RTPUTMUWGBFAGO-IIBYNOLFSA-N 490.025 5.124 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/[C@@H](C)c1cccs1 726419614 GDBMFTWTGDWEAI-KLSYXTMLSA-N 456.420 5.465 30 20 JKED Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc2c(c1)CCCC2 726570603 HGDXHPTZWPCUNI-UHFFFAOYSA-O 477.009 5.715 30 20 JKED COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 727370310 MZAWFQLWSMRLOG-OAHLLOKOSA-N 478.346 5.073 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1C 728420188 AAVOXGXRJYOAOG-YADARESESA-N 483.597 5.292 30 20 JKED CN(C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1)C(=O)OC(C)(C)C 729563373 PKLDVDQNUVSXIJ-SFHVURJKSA-N 484.984 5.725 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1 729767666 RAWUAAVBQBNAFX-UHFFFAOYSA-N 464.934 5.316 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2c(C)noc2C)cc1 730444324 MGFIXGDNONVMDH-XMMPIXPASA-N 490.629 5.420 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1 730460741 DHIIXJZUCNOJKV-HXUWFJFHSA-N 491.535 5.617 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1F 730688533 YIOPAWUFTWPROU-CYBMUJFWSA-N 466.296 5.441 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cccs2)C1=O)Nc1cnccn1 730715613 IVNQUDXLNCXMGZ-INIZCTEOSA-N 492.413 5.005 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 731114933 XOTPUMKYSDAZHW-IBGZPJMESA-N 450.652 6.026 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Oc2c(Cl)cc(Br)cc2Cl)cc1 731179611 YWJCJEVERGBKIR-UHFFFAOYSA-N 477.163 5.053 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2cc(C)ccc2F)cc1 744116098 SEMNJMQCQGOORR-UHFFFAOYSA-O 492.640 6.104 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCCOC3CCCC3)C2=O)c1 747043475 KFVYOKXKKMKEBG-HSZRJFAPSA-N 481.618 5.005 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCc3nccs3)C2=O)c1 747602315 ZNGFUGFASJMCGM-FQEVSTJZSA-N 499.061 5.616 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cscn1 747603295 RSDFSCMVGVCOKJ-HSZRJFAPSA-N 486.622 5.765 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 750705451 LABMAAMCTWGOSW-UYAOXDASSA-N 494.592 5.516 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1Cl 799218417 GDNLJZVAJBWCRO-QGZVFWFLSA-N 479.961 5.248 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CC(F)(F)F)C2=O)cc1Cl 799219003 JKMGIVUBIGLGNC-INIZCTEOSA-N 489.878 5.010 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CC(F)(F)F 799224062 YSLYJKCHURIVLL-IBGZPJMESA-N 463.525 5.388 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 837285298 MUJZMUORJBPTAH-IIBYNOLFSA-N 498.530 5.822 30 20 JKED CC(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2Cl)CC1 837706324 ZAXNOBQPNCYMEY-QFIPXVFZSA-N 485.053 5.173 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 838190173 KEJAANARGUVYLM-JPYJTQIMSA-N 458.587 5.366 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc(-n3cncn3)c(F)c2)C(=O)c2ccccc2)c(Cl)c1 844254488 ZNWFPWUGZCVALR-UDWIEESQSA-N 474.923 5.582 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914537715 BWCIERIQCSJANB-SBUREZEXSA-N 461.587 5.054 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)Cc2cccs2)c1 914690628 ASPADIOGXYHYOJ-VGOFRKELSA-N 479.627 5.348 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N([C@@H](C)Cc2ccco2)C1=O 914694879 XEZYJOCZVAANSS-AOMKIAJQSA-N 498.004 5.533 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)C)n2)cc1 915100289 OPVYRCCJOKBWHV-GGAORHGYSA-N 470.598 5.160 30 20 JKED N#C[C@@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 915102343 XLBKPMCZKWVJQE-AWEZNQCLSA-N 460.868 5.708 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OCc2cccnc2)cc1 915772764 QJKRGCWUXZSWMF-LYZGTLIUSA-N 490.563 5.132 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(/Cl)c3nnc(C(=O)NCc4ccccc4)s3)c2)c1 915987189 XCYQGZJYLVIXFM-OEAKJJBVSA-N 486.984 5.656 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(OC)c2)N(CC(C)C)C1=O 916205622 IENQNDVCWQFPKK-QFIPXVFZSA-N 469.607 5.100 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccc(F)cc2)c1 916210381 CULAHYORNNWFRI-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 916216782 YRDFRQWOMHSXNG-IBGZPJMESA-N 479.524 5.011 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2C(F)(F)F)NC1=O)Nc1ccc(Oc2ccccc2)cc1 916229914 WZEWNZIGKAKUSZ-HXUWFJFHSA-N 485.487 5.746 30 20 JKED Cc1nc(SCC(=O)O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(C#N)c(C)c1C 916538201 NFJBUTVGWJLBAM-GFCCVEGCSA-N 486.808 5.501 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 916546342 MHESPQZOCWQYEO-UHFFFAOYSA-N 473.783 6.129 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)c1ccccc1 916622945 SMNQXYAQTJRXCK-NRFANRHFSA-N 495.446 6.181 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1Cl 916627508 ZHHFSBZXMZUUDV-SFHVURJKSA-N 488.034 5.293 30 20 JKED N#C[C@H](C(=O)COc1ccc(Cl)c2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 916847988 XVAXGNVUASMQFO-MRXNPFEDSA-N 463.946 5.338 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 916907128 UUFDNGFURYVNJY-LJQANCHMSA-N 472.526 5.059 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 916907830 NNIYLNCODYGHSZ-OSJHKOOESA-N 463.002 6.554 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(CSc2ccccc2)cc1 916928946 ZAQSVCKWPNPSIN-LJQANCHMSA-N 455.366 6.247 30 20 JKED COc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 916996534 KHDYPUSWXAQERQ-UGSOOPFHSA-N 486.380 5.355 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917044373 RGUDVUDDSYMRCV-HNNXBMFYSA-N 453.980 5.061 30 20 JKED CC1(C)CC(/C=C\c2ccccn2)=Cc2c1sc(NC(=O)CN1CCC[C@@H](c3cc[nH]n3)C1)c2C#N 917173490 BKASSLXDQHCKHY-ZTBDEIDFSA-N 498.656 5.334 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)c1 917427259 ATJZNVYPABGTMR-GHTZIAJQSA-N 479.005 5.892 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(I)cc2)cs1 917564247 ZZCPSZDZXFKXGO-FMIVXFBMSA-N 488.350 5.637 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccsc3)C2=O)c([N+](=O)[O-])c1 917675229 HTUYKFVLPFUWMX-FQEVSTJZSA-N 480.571 5.125 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)s1 917675692 WISBDAHTDOZTSE-FQEVSTJZSA-N 471.554 5.495 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)c1 918546577 CNWSFVYPGIAUHK-PCRNYRQLSA-N 489.041 5.302 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(C)s2)nnc1-c1ccc(Cl)cc1Cl 919859065 ZFUYTLVWBAWZIT-CYBMUJFWSA-N 467.447 5.777 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)cc1 919864014 GKUFEZPVYRQYRJ-UHFFFAOYSA-N 494.532 5.243 30 20 JKED N#CCOc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 919993822 HUHXJOMKQZMQRZ-NRFANRHFSA-N 450.420 5.003 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140814 JXMNXEFMTWWWFE-JOCHJYFZSA-N 476.565 5.304 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3c(C)noc3C)C2=O)cc1 920353107 AXYZPVCHJWKIPJ-JOCHJYFZSA-N 462.575 5.069 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920353719 QMEFIQCYYGLCAR-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2csc(-c3ccsc3)n2)c1 920369374 MEUPIRSLCSSQJD-UHFFFAOYSA-N 455.634 5.645 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(OCc2ccccc2C#N)c1 920635432 HASKGEGUZNPASK-OAQYLSRUSA-N 494.551 5.124 30 20 JKED Cc1nn(C(F)F)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 920875135 POKGZEBKISDDEA-AWEZNQCLSA-N 455.317 5.744 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccccc3)CCCC1)C2 1779506264 HFCZWLQMGKUWSS-UFHPHHKVSA-N 466.666 5.005 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)CC1 1785938100 HRHQGLVPPPCZBC-HHHXNRCGSA-N 496.652 5.098 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)cc1 1786328531 MDTIHOLOUDZSIN-KAYWLYCHSA-N 479.580 5.047 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3coc(C(C)C)n3)CCC2)cc1 1786545138 SFNXWNFREMAIQD-FQEVSTJZSA-N 496.608 5.015 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCCC4)c(F)c3)CCC2)cc1 1786679420 DVHKKHGIOWIRRG-UHFFFAOYSA-N 467.610 5.093 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C)cc2)CCC1 1787341158 MESLSZHLRFQNSX-JOCHJYFZSA-N 481.593 5.114 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc[nH]c5nccc4-5)cc3)CCC2)cc1C#N 1788460081 MQJYNCZENDPCHA-UHFFFAOYSA-N 493.567 5.235 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)oc2ccccc12 1788967633 TXWMCBTXLJDSRP-UHFFFAOYSA-N 463.537 5.869 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789167460 CVTAIVYNXJPTGW-OAQYLSRUSA-N 481.637 5.146 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1789455596 YAMYOZJFWALSRP-DEOSSOPVSA-N 495.664 5.536 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccccc4F)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1790215658 SNFUTDMLDXGKNV-QHCPKHFHSA-N 493.579 5.139 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)cc1 1790287692 MLLSDPUSAJYIQQ-UHFFFAOYSA-N 453.420 5.232 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCCCCCC(=O)OC(C)(C)C)cc2)CCC1 1790561551 FHQZWUXZRZGCKX-NRFANRHFSA-N 486.653 5.394 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)(C)C)oc3C)CCC2)cc1 1790564708 ACXXMWMZWFMVJP-GOSISDBHSA-N 453.583 5.434 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1 1790569135 CGXGGIKRSLUXCC-LNLFQRSKSA-N 467.532 5.290 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)c(F)c1 1790637732 HMKIJJPODZGJLC-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(F)c(OCC)c(Cl)c4)cc3)CCC2)C1 1790724425 CVDOKGLBUKBZCK-UHFFFAOYSA-N 456.945 5.592 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)c5cc(C)cc(C#N)c5)cc4)CCC3)[nH]c2c1 1790796138 ZXMJWVJYGSBFCL-UHFFFAOYSA-N 478.552 5.418 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5o4)cc3)CCC2)cc1C#N 1790852424 FMLYVPDRHNWRSR-UHFFFAOYSA-N 494.551 5.548 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3occc3NC(=O)OC(C)(C)C)CCC2)cc1 1791249359 QZZHRYITHVACCN-QGZVFWFLSA-N 467.566 5.587 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)ccc1F 1791324292 VDVZFYSZAYENJC-GIVPXCGWSA-N 459.565 5.200 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)c1 1792123568 JSZBDJMNJJQYNH-GOSISDBHSA-N 468.582 5.689 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c1 1792126970 PFMHJHLDYAYVEU-GOSISDBHSA-N 466.516 5.386 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(NC(C)=O)ccc3Cl)cc2)CCC1 1792191280 FXKRJVBXDRCOJJ-JOCHJYFZSA-N 480.008 5.815 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cc1 1798420906 UEVZHTPHULQRSO-ROPJFGRJSA-N 489.736 5.397 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(C)cc(C#N)c3)c2c1 1800761496 JGUHZTHYBOEMQX-NUNAXRQHSA-N 499.611 5.386 30 20 JKED O=C(C#CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800810904 GBIDBMDZYNVBKC-BKFWDETESA-N 464.565 5.297 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Br)c2)CCCC1 1801594616 NEBLQFPVZQDTFY-MVWVFHAYSA-N 473.455 5.111 30 20 JKED N#Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1 1802388165 MICXFYCDDKJJBE-PDDLMNHVSA-N 488.591 5.059 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(C)(C)CC1)C2)c1ccc(O)cc1 1802417327 OELGQBYPTILUTB-JBXUNAHCSA-N 464.650 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)C3)c1 1803684895 RTOQSHPSMXIRSY-OCYFJXFZSA-N 499.533 5.097 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1806681824 KSGYBQKNHPQNCZ-OZXSUGGESA-N 466.025 5.142 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@H]1c1cccnc1 1808824414 GKPOHKVNMCSRGN-CPKITBKRSA-N 498.627 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1809204754 MVTLCPQEXHVMAT-REWPJTCUSA-N 479.621 5.747 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1810173726 BDNDRNNQXIMBKC-LFAGZIFBSA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1810176129 ZVITVWZCVQBJHH-INNMJMHTSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1810502478 JIFBELDUSKFGBU-UNMCSNQZSA-N 489.538 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cc(OC)cc2C)[C@H]1c1cccnc1 1810504066 VVAFEAGLTDOAFF-RDGATRHJSA-N 463.622 5.019 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811261842 KMNDRCHMXMVYQN-XRKRLSELSA-N 496.655 5.577 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc4occ(Cl)c4c3)[C@H]2c2cccnc2)c1 1811436732 XBURJIUNGPGZCX-QFQXNSOFSA-N 498.970 5.295 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)c1Cl 1811799563 AKEIDORLQBJLJR-YKSBVNFPSA-N 493.394 5.202 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1812673333 RPDNPXMKSZRKIW-KUHUBIRLSA-N 486.321 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1812828567 VFMRUSDXOSBDKG-AHKZPQOWSA-N 461.650 5.446 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1813056510 USYDZZHGXJOHNP-CPJSRVTESA-N 494.517 5.058 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccnc1 1813896517 CJJPKZLKPKWVDX-NZQKXSOJSA-N 470.013 5.056 30 20 JKED CCSc1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814354911 LGYYGCOESHWOAA-LJQANCHMSA-N 495.008 5.061 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)[nH]n2)C1 1814396618 KVPJSOYBTYUKPN-QHCPKHFHSA-N 456.546 5.474 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)[nH]n1 1814444182 WVYUMUSNIQHCFN-DENIHFKCSA-N 452.599 5.252 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)[nH]n1 1814828439 MGMLUHUKROCZJE-HXUWFJFHSA-N 451.596 5.335 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)[nH]n1 1814828505 NLGKRDYANYDZTJ-JOCHJYFZSA-N 459.550 5.139 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)[nH]n1 1814830185 RREIASZHGDNIAD-FQEVSTJZSA-N 456.974 5.146 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)Sc3ccccc3)n[nH]2)c1 1815096490 PKVTYCJBIOHLTF-MBSDFSHPSA-N 473.602 5.077 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccc(Cl)cc1 1818114191 MOIBXFMFSZUIRL-UGZSSSENSA-N 497.020 5.360 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4sc5ccccc5c4Cl)sc3C2)C1 1818283144 FGLYGXLEYNCUTP-CYBMUJFWSA-N 458.008 5.203 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1818287907 FRLOYLDDPXQGML-FQEVSTJZSA-N 499.493 5.140 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c1Cl 1820223282 KSRGVHZGYGFGHL-LJQANCHMSA-N 486.334 5.347 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)[nH]n2)c1 1820308196 OTOZZGOXNUQOLF-XMMPIXPASA-N 482.519 5.035 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)c1 1820469760 PGYSIGJUJNPKBN-NRFANRHFSA-N 481.478 5.228 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c1 1821125055 WMLKMACCHMVIBI-QVKFZJNVSA-N 479.943 5.449 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)[nH]n2)cc1 1821183400 YXJLIZUAKJATFW-NRFANRHFSA-N 499.468 5.253 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occc4c3O)n[nH]2)c(Cl)c1 1821503598 NLMWPOGGZIVHJQ-FQEVSTJZSA-N 489.919 5.006 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1823885044 CNVMDCACBMPOOK-JOCHJYFZSA-N 472.589 5.007 30 20 JKED Cc1ccc(SCC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc([C@@H](C)C#N)c4)sc3C2)cc1 1827696474 CZPSDGGOQHQDMB-PXNSSMCTSA-N 490.654 5.097 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2[nH]1 1828211443 AWBCDUWSRZNSGQ-NFQMXDRXSA-N 482.628 5.651 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 1828820830 GDYHQBNRRIDQJV-JWQCQUIFSA-N 482.665 5.025 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1828906542 SBDWOTYSGYGHTJ-OAQYLSRUSA-N 495.662 5.318 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)c1Cl 1828999236 ILCOFQZEDWQGHD-FEGPCZTRSA-N 490.431 5.247 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)c1 1829958796 LAJKPSRHJPTQIX-QFIPXVFZSA-N 488.390 5.551 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829959709 ZDPHCVBPXLMQHD-HSZRJFAPSA-N 469.507 5.124 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830441259 QNIMQRPFDXTQOB-UQBPGWFLSA-N 456.602 5.060 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(O)c2)CC1 1830581058 RTZHYMHBHSRJGC-RBBKRZOGSA-N 489.454 5.156 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830750578 HPUZNOHWOOPDRE-LYZGTLIUSA-N 469.629 5.738 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1830784746 SQCAKDBBTCVHHO-ZVMZLPNLSA-N 493.479 5.007 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3cn2)CC1)c1ccccc1 1830820037 VHNHIHPQHXXBIJ-BDYUSTAISA-N 483.612 5.258 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)CC2)c1 1830888155 MJVKIZDTYKTKIP-KOSHJBKYSA-N 474.630 5.404 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1831001448 PAQKRJZFVYQTKS-VWNXMTODSA-N 481.587 5.515 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1831371019 SANUJHKOTGONNU-HTAPYJJXSA-N 456.030 5.575 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c1Cl 1831481996 RDNIMTZGFXXJAA-BZVKRPRLSA-N 468.041 5.271 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C(C)C)cc2)CC1)C(F)(F)F 1831598463 CZVILDPJTXSXRV-JOCHJYFZSA-N 450.545 5.091 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633133 CMIQMVHJQWCMSG-KBMIEXCESA-N 494.035 5.523 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633518 JJVPRSOHLVARQT-AMGIVPHBSA-N 487.644 5.486 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1832633750 NJZBPPQVCGHXPC-IBVKSMDESA-N 461.581 5.308 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634331 PPOXAVAXYCRLES-LXFBAYGMSA-N 471.645 5.407 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cc3cccc(F)c3)c2)CC1 1832748171 LAQFHDAUKQETKE-MHZLTWQESA-N 460.593 5.063 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C3(C)CCCCC3)CC2)CC1)c1ccccc1 1838417754 IBWDITNIFNQPMI-HHHXNRCGSA-N 478.677 5.153 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1Cl)N1CC2(CCCN2C(=O)C2(C(F)(F)F)CCC2)C1 1842846324 SLSFPMSVODHSDC-UHFFFAOYSA-N 486.815 5.048 30 20 JKED C#CCCCCC(=O)N1CCCC12CN(C(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C)C2 1846489304 HOXUEISWDLMZSQ-QHCPKHFHSA-N 489.701 5.027 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(C(F)(F)F)nc4ccccc24)C3)c1 1846829534 WEMPQQGSGSGHSG-KRWDZBQOSA-N 492.501 5.011 30 20 JKED CCCCCCn1c(SCC(=O)Nc2sccc2C#N)nc2sc3c(c2c1=O)CCC3 8759174 QAVKWBJTBZHUSV-UHFFFAOYSA-N 472.661 5.191 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc2c(c1)OCCO2 10179506 MDAGMPGRYOZLIP-UHFFFAOYSA-O 453.971 5.012 30 20 JKED C=CCOc1c(Br)cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc1OC 11330541 YQXVCFZFHOUYKQ-OQLLNIDSSA-N 473.392 5.355 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2ncc(-c3ccccc3)o2)n(C2CCCCC2)c1C 14402700 YRMVLTQPPOLVFM-UHFFFAOYSA-N 474.561 5.251 30 20 JKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1 15231694 LYYQRPDEWGUAJB-KRWDZBQOSA-N 484.836 6.020 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCCC(=O)Nc1sc2c(c1C#N)CCCC2 21437898 OZXFGUFFCRPBJB-UHFFFAOYSA-N 497.621 5.115 30 20 JKED C=CCn1c(SCc2nc(C)c3ccccc3n2)nnc1-c1ccc(Br)cc1 26216526 KNWIEQWVSQXWNW-UHFFFAOYSA-N 452.381 5.438 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32290672 ZQHAZEGEJLWNDI-UHFFFAOYSA-N 469.566 6.287 30 20 JKED Cc1cc(SCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)nc2ccccc12 33144049 QWXNGRPVAFJGOL-SFHVURJKSA-N 460.603 5.005 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1ccoc1C 36802889 VGMLESUIRGFLJW-QHCPKHFHSA-N 474.586 5.822 30 20 JKED N#C[C@H](C(=O)CSc1nc(-c2ccco2)nc2ccccc12)c1nc(-c2ccccc2)cs1 46582176 NVUBOZRRJNSLRM-GOSISDBHSA-N 468.563 5.982 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(COc2ccccc2C#N)o1 108095406 HOMFZYOOJFZVJX-UHFFFAOYSA-N 457.299 5.294 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1[C@@H]1COc2ccccc2O1 115400129 MUKKDFULOBEXEB-QFIPXVFZSA-N 492.626 5.613 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2n1C(F)F 195720746 FPLDKKNYYRPMKO-GFCCVEGCSA-N 463.296 6.352 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C#N)nnc2-c2ccncc2)cc1C 255928461 UPNMIXMFLOUAKL-UHFFFAOYSA-N 474.977 5.202 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 303110709 NTRGPLHVOMRUCM-UHFFFAOYSA-N 471.326 5.570 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 409556179 POLRCCOBXYFWLS-OAQYLSRUSA-N 460.043 5.284 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1F 409779833 OLRHALYAVIDMSO-UHFFFAOYSA-N 469.520 5.287 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)cc2Cl)c1 409922320 LYDHDKXQLXZOSF-UHFFFAOYSA-N 498.848 6.112 30 20 JKED COc1ccc(Sc2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2)cc1 481685675 QAVIRAFOCTUPGF-UHFFFAOYSA-N 458.587 5.462 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nc3c(c(C)c1C#N)CCC3)CC2 494984948 UZKKMWOGKXZESH-NDEPHWFRSA-N 499.636 5.034 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 495410663 YLSCBQOVVFPSBY-UHFFFAOYSA-N 494.507 5.094 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCc1cccc(C#N)c1 500229163 FZDQMAQOLSHRIH-UHFFFAOYSA-N 455.949 5.406 30 20 JKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 501062704 YUICDZCEMQNZHD-ZDUSSCGKSA-N 459.487 5.513 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1C#N)O[C@@H](C)C2 504498361 MWJFCTBFZDUQPN-HYVJGQCMSA-N 470.594 5.717 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ccccc3C)C2)c1 504919400 NNMRKBZMCXGYNR-JOCHJYFZSA-N 495.044 5.659 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1F 507041078 OGAYTQITJUHFLK-HXUWFJFHSA-N 463.940 5.167 30 20 JKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510024609 USJQFARTIFWHSB-MHECFPHRSA-N 470.964 5.801 30 20 JKED COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c2nccn2C)c1 510522952 RUKNIDMGLLGTGU-AREMUKBSSA-N 497.555 5.321 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 515043568 LLJPAQMEOZEVOW-UHFFFAOYSA-N 487.519 5.314 30 20 JKED Cc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1I 515448918 KURGPYVDBABYKM-UHFFFAOYSA-N 450.345 5.444 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 518128003 LTDYZEUAWSOYBS-SFHVURJKSA-N 486.626 5.454 30 20 JKED N#C[C@@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 519253102 YLTIWDYXUPRCHQ-KRWDZBQOSA-N 458.568 5.312 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCSc4ccc(Cl)cc43)cc2Cl)cc1 520089277 FVMUZOFVSONNMA-FQEVSTJZSA-N 498.391 5.949 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1CN(C)C1CCCCC1 520193180 DZAPZUMBJBEJFZ-HXUWFJFHSA-N 478.662 5.100 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(C)cc2)cc1 520842162 PNOYPXMNFHXGRN-UQBPGWFLSA-N 473.598 5.100 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 521268001 DGOKBROEQVGWNK-UHFFFAOYSA-N 467.978 5.921 30 20 JKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 523232313 YPVDOXGAEKSZAA-UHFFFAOYSA-N 479.536 5.500 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 523454594 KHFDTKRNVDQNGT-UHFFFAOYSA-N 476.270 5.137 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 524442453 LFJVBSWQMMAILA-UHFFFAOYSA-N 497.574 6.071 30 20 JKED CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1 524616980 LBVJCVWWXUJQIK-SFHVURJKSA-N 495.626 5.533 30 20 JKED C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 524657563 ZATLVPYOLGPLAT-LJQANCHMSA-N 486.547 5.264 30 20 JKED O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590844665 UXJDYJURLKQPBJ-OKILXGFUSA-N 493.427 5.405 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4cccc(OCc5cccc(C#N)c5)c4)nc(O)c23)C1 603640001 ICPUCQSYVLYBEF-KRWDZBQOSA-N 498.608 5.544 30 20 JKED COc1cccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 603780889 SJBFAHPVORTCTC-XMMPIXPASA-N 485.609 5.238 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1Cl 603828990 FAYBLWUJQIAYMP-LJQANCHMSA-N 474.870 5.653 30 20 JKED COc1cc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(F)F 603839139 WIHCKTJQYAOEGM-SFHVURJKSA-N 457.864 6.249 30 20 JKED C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2[N+](=O)[O-])C1 604003451 BPOJHQNFOITAGQ-FQEVSTJZSA-N 484.556 5.728 30 20 JKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 604140821 NWPHHPRDZAXHTC-SANMLTNESA-N 469.585 5.564 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1Cl 609164872 YZANKTOTZPOWPO-XMMPIXPASA-N 472.976 5.878 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3-c3nc(-c4cccc(Cl)c4)no3)CC2)c1 609219542 WGRMVBFUNWBDEI-UHFFFAOYSA-N 484.943 5.612 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H]1c1ccc(OC)cc1 609376973 MRHYYRAIMLRGEQ-CTIGNXTNSA-N 465.619 5.275 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1SC[C@H](C)C#N 609398302 KDXALSDQRDGQLQ-OAHLLOKOSA-N 462.388 6.060 30 20 JKED CCOc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)ccc1OCc1cccnc1 609414707 LRUBWMACSGTHPP-IBGZPJMESA-N 456.329 5.361 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(NC(=O)c2ccccc2)c1 609436304 KXWLTDJQYLVJTF-MOPGFXCFSA-N 486.597 5.149 30 20 JKED C=CCN(C(=O)CCCc1ccc(C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 611777753 ONXNLUXEAXORAL-UHFFFAOYSA-N 454.617 5.064 30 20 JKED C[C@H](Oc1cccc(F)c1)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 616337490 VHDGTEVBHPCDIJ-NSHDSACASA-N 455.326 5.114 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618548289 ZNCATFIPTFPYNZ-HUUCEWRRSA-N 464.381 5.890 30 20 JKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 622686879 WIZFFBGFGNFTMS-HXUWFJFHSA-N 489.431 6.333 30 20 JKED Cc1ccc(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C(F)(F)F 623441573 GZSJTGZCAMHCJM-NXEZZACHSA-N 457.358 5.202 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1ccc(Cl)cc1 642011040 YQPVFKYZGFTJEF-UHFFFAOYSA-N 468.995 5.034 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2Cc2cccc(C)c2)nnc1-c1ccc(Cl)cc1 642113126 QUANPNLUZHGYNA-UHFFFAOYSA-N 479.009 5.069 30 20 JKED Brc1cccc(-c2nn(-c3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)c1 725855631 DOKWOEXZYGRQKF-UHFFFAOYSA-N 469.346 5.443 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccccn2)cc1 726415321 JVONQGTWGWVZDB-HSZRJFAPSA-N 492.576 5.168 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccccc2)cc1Cl 726571029 CNCHBSOKZIXWJO-UHFFFAOYSA-O 461.781 6.129 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1NC(=O)c1ccsc1 726938219 KHBHPXJBSYEVNQ-UHFFFAOYSA-N 454.511 5.620 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2)c1C 727252762 NXLYQNOIXYPDHB-XMMPIXPASA-N 489.645 5.297 30 20 JKED Cc1ccc(NC(=O)NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1 728297847 MKNKCMCUJJSYPA-GOSISDBHSA-N 460.509 5.042 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(N2CCCC2=O)cc1 728392423 JJANEQVDSKINKF-GOSISDBHSA-N 472.520 5.286 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cccnc2)c1Cl 728429920 LSUQVOUMNGYGNF-DYVFJYSZSA-N 477.417 5.058 30 20 JKED CS(=O)(=O)c1ccc(/C=C2\CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cc1 728438453 FSIYUIAHWYCPTI-NTCAYCPXSA-N 474.401 5.189 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(CCCCC#N)C1=O 728775811 DIMUNFSRNXMELW-NRFANRHFSA-N 499.036 5.620 30 20 JKED Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 729237510 OOLFOSBWTKMQJP-MOPGFXCFSA-N 486.597 5.335 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C(F)(F)F)c1 729654830 DZZHUHALUVTACV-UHFFFAOYSA-N 497.473 6.969 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(C2CCC2)C1=O 730462530 NVDOPHZYSGJHQD-WSJNKUPNSA-N 471.648 5.479 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2Cc2ccco2)c1 730530535 SSMZACSYTULZKT-QHCPKHFHSA-N 493.585 5.020 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2c(C)cccc2C)cc1OCc1ccccc1 730566559 VTDBTQISMAXNMW-UHFFFAOYSA-N 474.586 5.232 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2sccc2SC(F)F)n(Cc2ccccc2)c1C 730660734 JLDZZOOCXPNTAJ-UHFFFAOYSA-N 475.542 5.197 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730944419 WMJJQRGWKBOCSF-GAJHUEQPSA-N 492.576 5.259 30 20 JKED Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731077989 QEVZLFASSVSVNK-OAHLLOKOSA-N 451.573 5.308 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)s2)cc1 731306000 RBLVDYNNKUFYKK-QFIPXVFZSA-N 495.626 5.321 30 20 JKED C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2Cl)C1 731332363 JTRVREZMWCQGPD-DLBZAZTESA-N 492.066 5.407 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(CN2CCCCC2)n(-c2ccc(F)cc2)c1=S 745162368 MLLQHMHHSSCNLA-UHFFFAOYSA-N 476.625 5.046 30 20 JKED C[C@@H](C#N)CN(C)Cn1nc(-c2ccc(Br)cc2)n(CCc2ccccc2)c1=S 746707123 WMDVIJMAIZJWON-KRWDZBQOSA-N 470.440 5.135 30 20 JKED CCOc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN3CCC(C#N)CC3)c2=S)cc1 747079043 RGOAXEXAYCOHOK-UHFFFAOYSA-N 453.999 5.315 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748622305 DBXWUWJIOXRBES-UHFFFAOYSA-N 460.446 5.017 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnc1-c1ccccc1 749794068 OUBFWDQIESFTSX-CJFMBICVSA-N 481.625 6.302 30 20 JKED Cc1cc(CC(=O)OCC(=O)Nc2ccccc2SCC#N)c(C)n1-c1ccc(Cl)cc1 749985276 ISCPBMAIFSNTJJ-UHFFFAOYSA-N 467.978 5.088 30 20 JKED CCOc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OCC(F)(F)F 750895261 FRJXLMLBJICHJU-WOJGMQOQSA-N 450.482 5.535 30 20 JKED CC(C)Cn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccco1 807694909 LYRMTNKINHZHEZ-QGZVFWFLSA-N 463.588 5.286 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)NCc2cccs2)cc1 912837633 NUPRJOUGQJYEHO-UHFFFAOYSA-O 480.679 5.711 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1F 914692130 VLDHCLCHQSHJOC-IERDGZPVSA-N 451.523 5.010 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 915085483 BRHLPZWJEFJVSF-QHCPKHFHSA-N 494.016 5.422 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086590 LSVOCNSZRQGNPT-QFIPXVFZSA-N 477.358 5.715 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 915087138 QNZSONWNWJSVGR-RUZDIDTESA-N 487.606 5.134 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C/c3ccco3)n3nnnc3-c3ccccc3)n2)cc1 915099780 AUSXPGXEVCOZNS-KUOTXRDYSA-N 478.537 5.240 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915199821 MXPKXYOHAPCMLY-LOSJGSFVSA-N 457.599 5.141 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1-c1ccc(F)cc1 915646329 UXMNVXGBIJWTAY-UHFFFAOYSA-N 473.529 5.114 30 20 JKED CCOc1c(Br)cc(Br)cc1/C=C1/S/C(=N/C2CCCC2)NC1=O 916154382 FJEUJTXMPOIXRE-RIYZIHGNSA-N 474.218 5.113 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O 916212823 ZIAXEUISMBVBJE-SFHVURJKSA-N 495.935 5.073 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(OCC)cc1 916213826 GDWRENHLBJYWLW-JOCHJYFZSA-N 467.591 5.048 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cs2)cc1 916847787 WDLSAHZTOJDPPI-GOSISDBHSA-N 490.610 5.039 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916885387 VGMFGEBAZVODEH-OAQYLSRUSA-N 460.946 5.241 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCOc1cccc2ccccc12 916899166 HWSHSJFXLZMJDM-IBGZPJMESA-N 450.922 5.317 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc2cc(C(F)(F)F)ccc2s1 917044691 TXTKCZBGRMRYGU-LBPRGKRZSA-N 462.478 5.626 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)sc2nc(C(F)(F)F)ccc12 917425819 DAGLHWDUXYALMC-QGZVFWFLSA-N 495.482 6.377 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2ccc(F)c(Cl)c2)n1 917671435 YZZGXBPQWQAVEV-QFIPXVFZSA-N 496.995 5.021 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(Cn3cccn3)c2)C1=O)Nc1ccccc1 917673253 APLKTRSTEJMVMC-RUZDIDTESA-N 495.608 5.092 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)SC2=Nc2ccccc2C#N)c1 917698860 JKORJQFXMNTFCX-RUZDIDTESA-N 497.624 5.093 30 20 JKED Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(COc3ccccc3C#N)o2)c(C)n1Cc1ccco1 919513923 JZMGGUVGPKIMPO-IBGZPJMESA-N 472.497 5.218 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2CSc2nc(C)cs2)cc1 919868440 PZJSRQGCJXRFAK-UHFFFAOYSA-N 463.628 5.810 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 919896006 SUDVSOSMRKDVOR-UHFFFAOYSA-N 454.482 5.203 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3ccccc3c2)s1 920168623 MPMLAMCIRXLTQA-AOMKIAJQSA-N 463.628 5.571 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)cc1 920355784 MYQUPPOBIYCGGS-HSZRJFAPSA-N 492.601 5.077 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Br 920805292 BNPFNNBZKFTOFK-ZDUSSCGKSA-N 477.330 5.668 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1F 1785953422 GXACEPLHBUZUGB-SFHVURJKSA-N 471.532 5.523 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1786370996 HVBDDUDBTKKMFL-VSDWSMLSSA-N 452.982 5.169 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4nccc5occc45)cc3)CCC2)c1 1788341230 AQMAAWCOLIVTMY-UHFFFAOYSA-N 450.498 5.069 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5cc(Cl)ccc45)cc3)CCC2)c1 1788982277 FCGKGSMPANACNV-UHFFFAOYSA-N 457.921 5.083 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CSc3c(C)cccc3C)cc2)CCC1 1789647499 UETBDWZEUTVVNR-FQEVSTJZSA-N 467.635 5.331 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789954652 XFGLHCDTTSAWOF-HXUWFJFHSA-N 455.558 5.087 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)c1Cl 1790205013 LBURNKGDYAOALT-UHFFFAOYSA-N 454.313 5.520 30 20 JKED Cc1ncc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)s1 1790745203 HHIKHFDQQLGASP-UHFFFAOYSA-N 495.402 5.147 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)/C=C\C=C\C)cc2)CCC1 1791246167 UEDSSQWOLPBAFO-SKALMKJUSA-N 467.610 5.112 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)CCC2)cc1 1791252462 QECIYZYHQMLFOB-XMSQKQJNSA-N 469.626 5.026 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)cc3)CCC2)c1 1791459044 CSICSKHLTBRUDS-NYYWCZLTSA-N 489.373 5.110 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1)c1ccc(O)cc1 1791642726 NXOPHPIKGGEFJN-FQEVSTJZSA-N 487.987 5.386 30 20 JKED CCc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168390 VGFWKMBBTBVETD-UHFFFAOYSA-N 482.584 5.364 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3C3CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205776 WBGFMRGZMVURQV-YTFSRNRJSA-N 481.637 5.026 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCCCC1)C2 1794076741 LNCWGSKDCGANRA-KOUNCHBCSA-N 461.071 5.099 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCC#N)c(C)c2)cc1 1795860097 DRUPHEOTPBYAKS-OOSCYNTBSA-N 457.618 5.560 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)c1 1797779251 NRTILOOCGJURKF-UBANXMIISA-N 461.993 5.023 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C2 1798593815 MWCUQQXIWOHAEQ-NUNAXRQHSA-N 489.701 5.044 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2Cl)[nH]n1 1799410864 GJVMJEOGKPQAEY-ACDBMABISA-N 497.115 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cncc2Cl)[C@@H]1c1cccnc1 1802367484 ZIEMEZAYWMDYCW-UWJYYQICSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(F)c(F)c3)CC2)[C@H]1c1cccnc1 1802494947 HZFAHHGGOLUDEB-RDPSFJRHSA-N 481.587 5.090 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]3c3cccnc3)ccc21 1802690907 DLNTWDHYIXIPMV-AMGIVPHBSA-N 493.611 5.079 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1803079940 STSDSRZCGUYFKQ-IGKIAQTJSA-N 463.597 5.018 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1803081779 HWPHTEKCDNVXDG-ZEQKJWHPSA-N 466.025 5.142 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1803082735 XGTUSIBVORERBI-QXWFJRNPSA-N 466.025 5.313 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1803561004 BEFSLSINRLYPHK-SKCUWOTOSA-N 497.595 5.283 30 20 JKED CO[C@](C)(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1)c1cccc2ccccc12 1803677028 YRJZEDXOVDSAKT-WOCSQUIESA-N 495.623 5.280 30 20 JKED Cc1csc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1804535448 TYCKYGQOSWONKY-WMVAVLGLSA-N 486.641 5.031 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(C)C)nn3ccccc23)[C@@H]1c1cccnc1 1807915546 QGULJKXJVUPRAN-NVQXNPDNSA-N 487.648 5.165 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1808159436 KZUIIIIGJBHSMF-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H]1c1cccnc1 1808951518 GEYFEABADMBMOY-QABMSTFYSA-N 488.591 5.030 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)[C@H]1c1cccnc1)c1ccccc1 1810440017 DYEWEKXTKIWWAL-ZNZIZOMTSA-N 493.598 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC)cc2Cl)[C@@H]1c1cccnc1 1810503440 PTZYELYZMUUOIV-AUSIDOKSSA-N 470.013 5.056 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c1Cl 1811421403 ZHJKMPCMQJGBSU-WZONZLPQSA-N 497.357 5.033 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)cc1 1811832738 UWGWOQFBPZXWIP-QPPBQGQZSA-N 493.394 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811863779 WFWRYJADUOWEEU-IRLDBZIGSA-N 473.539 5.412 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)c1 1811939350 HPDPPBDNTCXUAT-RDPSFJRHSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1811947559 VGFSTYIXNPJNMB-NVQXNPDNSA-N 479.596 5.096 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1812521792 AVMMWWZSZYMETQ-OFVILXPXSA-N 466.025 5.219 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1813225735 ZEWUOHFGIOLMEQ-KCWPFWIISA-N 499.577 5.323 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@@H]1c1cccnc1 1813227364 COEVUNRFWKIORH-PXDATVDWSA-N 497.561 5.032 30 20 JKED CCCOc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813868616 OUEGVDDBPCIMOS-RSYZWFLXSA-N 496.611 5.131 30 20 JKED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)[nH]n1)c1ccc(Cl)cc1 1814659201 ARZKQYBRHYQDST-QMHKHESXSA-N 493.970 5.112 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(F)c(F)c2)n[nH]1 1814660220 GBVSKKRNKRDCRV-JOCHJYFZSA-N 456.537 5.081 30 20 JKED O=C(CCCc1ccccc1F)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1814851397 AYWKIZRQAACQRA-ARKBFRDHSA-N 494.592 5.064 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)c(C)o1 1816417075 WLZAWGGVECAIIF-HXUWFJFHSA-N 485.466 5.130 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)[nH]n1 1817124091 UKWAGIKZKIUOCM-XMMPIXPASA-N 493.567 5.965 30 20 JKED CC(C)n1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)c(C(F)(F)F)c1 1818213749 KKXVRTIOEHMOFQ-OAQYLSRUSA-N 498.509 5.302 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818596625 SWMIKMFYJMDYQH-MRXNPFEDSA-N 462.497 5.281 30 20 JKED CCOc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1820648290 NHNDDJYOCPHNJW-HSZRJFAPSA-N 480.685 5.165 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccncc3-c3ccccc3)sc2C1 1821000373 XCNNXMWLXNABAP-PMACEKPBSA-N 472.614 5.199 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310442 WTVLQKLIEKUBQB-CTNGQTDRSA-N 485.510 5.374 30 20 JKED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n[nH]1 1823135268 HJPBGOINOQYZAK-OAQYLSRUSA-N 482.462 5.160 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c1 1823211231 UVODOFBEMYRGTL-OAQYLSRUSA-N 465.916 5.002 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212416 VIJUORRJQZJPFE-GAJHUEQPSA-N 487.604 5.855 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[nH]n1 1823421304 WNEJUBUFHQJXRX-ZEQKJWHPSA-N 476.527 5.327 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C)c4ccccc34)CC2)C1 1823705458 YQJNHIYXAPQVCC-MUUNZHRXSA-N 458.646 5.667 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1824508481 WMCARKVAMZDLCE-XUZZJYLKSA-N 489.616 5.048 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1824539420 WKMZZAHFYVQVFH-GMAHTHKFSA-N 474.070 5.076 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNc2ccc(F)cc2)CC1)c1ccccc1 1826837788 KNISSELVMWUXAA-IZLXSDGUSA-N 489.635 5.055 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)CC1 1827169181 PMQMLWIIUIUEIL-IGKIAQTJSA-N 461.650 5.489 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncsc2Br)CC1 1827724729 AFVNNVGZDGMZMY-QGZVFWFLSA-N 482.488 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828138588 YDYZEMCGIRDJOM-RUZDIDTESA-N 465.638 5.402 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c1 1828679194 VAANARFRSVHOJY-UQBPGWFLSA-N 486.641 5.470 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1828827195 TXELLPGLLIFGTI-BVAGGSTKSA-N 495.067 5.732 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1828828158 DOENLZOCHQHFGX-ICSRJNTNSA-N 452.517 5.300 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1829371503 QMUYHWGTOPAEPK-VWLOTQADSA-N 495.067 5.167 30 20 JKED Cc1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)sc1C 1829556892 CTPSXNIJBDOZMF-JOCHJYFZSA-N 473.759 5.044 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1830011992 MZPQOCSJPYGELN-SXOMAYOGSA-N 457.618 5.231 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1830416535 UWLGRAFDCAVVOH-CUNXSJBXSA-N 490.648 5.091 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)ccc2[nH]1 1830717139 QACBKSOQZWYGSI-SANMLTNESA-N 472.564 5.034 30 20 JKED COc1cc(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830722374 GWFWIMHPOVIJEK-VWLOTQADSA-N 480.008 5.076 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060934 WSHRFMLCTZHWFY-NLFFAJNJSA-N 489.616 5.620 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)CC1 1831239526 DXMHJYGOWPHXNU-DEOSSOPVSA-N 473.057 5.279 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1831444810 WXHXVCXZAVZNHE-KRWDZBQOSA-N 462.459 5.052 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831851866 CFVXZPOESZZASH-QHCPKHFHSA-N 463.449 5.349 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831927119 LECFSBCOXNVLST-CGXPIBJNSA-N 490.688 5.335 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832712774 HSNQNTONCGBYOA-KKSFZXQISA-N 454.508 5.290 30 20 JKED N#CCCC(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCCc3ccccc3)CC2)CC1 1837796458 OAGMSOWUJAZQBE-UHFFFAOYSA-N 495.708 5.652 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1)c1ccccc1 1838416796 OATFJQWRPJNAMN-MHZLTWQESA-N 493.047 5.149 30 20 JKED CCCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)cc1 1838608721 VUGFDAMYNJZUHE-JOCHJYFZSA-N 487.644 5.192 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1844202775 ZTNDMPPRJFETSP-REWPJTCUSA-N 481.637 5.109 30 20 JKED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(-c3ccc(Cl)cc3)no1)C2)c1ccccc1 1844335429 HUKXRWMHQBBPIT-QHCPKHFHSA-N 487.987 5.009 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 10173480 IXMGZKBTYVGPAM-UHFFFAOYSA-O 453.578 6.163 30 20 JKED CCCCN1C(=O)N[C@@H](c2cccc(C#N)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 10353611 GNUFVRHRMYPXKO-NRFANRHFSA-N 456.468 5.356 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccc(F)cc1 10828316 RCWLMTBWWSGCKO-UHFFFAOYSA-O 455.578 6.394 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3OCCOc3ccccc3)s2)cc1 14621518 SSUDQJNQYXYEJY-UHFFFAOYSA-N 488.594 5.412 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(C(C)(C)C)cc1 14871938 MWFNNEMCWIJHTH-UHFFFAOYSA-O 475.634 5.656 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3cccs3)cs2)nnc1-c1ccc(OC)cc1 19851655 FNZWHWLAYQAUNV-UHFFFAOYSA-N 469.617 5.056 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 21176489 DQWNXUVESCUBBW-UHFFFAOYSA-N 489.601 5.479 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 21514977 HLEUUJFLWBKVDX-VIFPVBQESA-N 478.374 5.327 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)cc1 22692972 ZZDNQDRRNIMVAK-UHFFFAOYSA-O 473.662 5.498 30 20 JKED COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)n1 26034267 RINUVDZFZSHBPU-INIZCTEOSA-N 481.990 5.226 30 20 JKED C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(C#N)cc1 31434121 VLIOQGIXZAYWJI-AWEZNQCLSA-N 474.369 5.157 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1 108292201 OGXWAHLVFJYMPE-KRWDZBQOSA-N 460.361 5.167 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)cc1 195652804 YQUIPSVGNDDIHU-RUZDIDTESA-N 495.579 5.695 30 20 JKED C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)C(=O)Nc1ccccc1C#N 206745301 DJLUEIHGKGCQSF-LXMVLSBBSA-N 463.493 5.370 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3c(F)cc(Br)cc3[nH]2)cc1 302989285 LBPHVUXSYALXHD-UHFFFAOYSA-N 456.315 5.136 30 20 JKED O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1cccc(N2CCOC2=O)c1 303004871 PCSMBVHDNRWHDI-BQYQJAHWSA-N 455.333 5.425 30 20 JKED N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1cn(-c2ccccc2)nc1-c1ccncc1 303006775 PPWGVXRATAPCHJ-UHFFFAOYSA-N 468.467 5.568 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)cc2F)c1 481577080 WISXOFDDGKUARV-UHFFFAOYSA-N 494.517 5.341 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1noc(-c2ccc(OC)cc2)n1 484839615 UOBJSAYCLRNTSM-UHFFFAOYSA-N 469.954 5.047 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 487728077 NRYRJDRUVZMLKO-MRXNPFEDSA-N 496.354 5.458 30 20 JKED O=C(NCCCOc1ccc(F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 499465906 WQTCMRZIIVNQDP-UHFFFAOYSA-N 475.364 5.248 30 20 JKED Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 502615037 KWACVLMMHIRHMK-GOSISDBHSA-N 453.502 5.433 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(-n2cncn2)cc1 503833304 SJTQNBGELZTEPL-GAJHUEQPSA-N 456.937 5.459 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 509940450 DMYFSWPBLAUFLB-SFHVURJKSA-N 479.577 5.898 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3Cc3ccccc3Cl)c2)c1 510635081 WJOBGYGWLXALFD-QHCPKHFHSA-N 458.949 5.703 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)c1 511359840 LGFGSGYYGLGPHL-NRFANRHFSA-N 455.558 5.107 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccccc1OC 514357447 NKEPWTGWJWRIIF-IBGZPJMESA-N 488.617 5.062 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1cccc(Cl)c1 514360225 BDLHDXNIAYNPTE-OAHLLOKOSA-N 457.962 5.185 30 20 JKED CN(CCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 514544206 QGDCWTLPLIZVER-QHCPKHFHSA-N 499.995 5.174 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cc3ccncc3)cc2)nnc1-c1ccc(Cl)cc1 514642929 VFYPOHJMKIUXTL-UHFFFAOYSA-N 476.005 5.501 30 20 JKED COC[C@@H](C)n1c(SCC(=O)N(Cc2ccccc2)c2ccccc2C#N)nnc1-c1ccccc1 515394341 PCINSYWYYQIIDF-OAQYLSRUSA-N 497.624 5.350 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 515876681 FPIOUZMBWGFZMM-UHFFFAOYSA-N 473.982 5.504 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 516292588 SPZAQPUCIXHAQP-UHFFFAOYSA-N 493.567 5.079 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)O[C@@H](C)C2 517417123 BWYIFSMPVPXXHR-LVWPNOBMSA-N 474.586 5.005 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)cc1 517440961 JLFAXLWMWARSNW-UHFFFAOYSA-N 486.524 5.716 30 20 JKED CC[C@@H](C)n1c(SCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)nnc1-c1ccccc1 517492233 PBOQKPGCIPKKJA-KDOFPFPSSA-N 474.417 5.696 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 519405589 LQCQDYXSTXEOKM-UHFFFAOYSA-N 494.414 5.888 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Br 519515399 GXJCFXHTUUKVTR-ZDUSSCGKSA-N 453.789 5.904 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 519918376 OSRUYDUDPDIETN-UHFFFAOYSA-N 488.436 5.519 30 20 JKED Cc1cc(C)nc(Sc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)n1 519947388 WXJDEAYAQGGDIS-UHFFFAOYSA-N 482.613 5.891 30 20 JKED Cc1ccccc1-c1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c2cnn(C(C)C)c2n1 520497332 YULWUHRVEUSOAT-UHFFFAOYSA-N 481.556 5.319 30 20 JKED CC(C)n1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2ccccc2c1=O 520813929 WRXYGQARKZYRQB-MRXNPFEDSA-N 452.605 5.102 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 520858183 RGXZOEGKIMTOSS-OALUTQOASA-N 458.587 6.073 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 520858184 RGXZOEGKIMTOSS-RBUKOAKNSA-N 458.587 6.073 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1 522327601 NPSQKHVBBIUWSU-UHFFFAOYSA-N 493.542 5.257 30 20 JKED N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cc1 524325718 ORNXPFWFSZWKNS-UHFFFAOYSA-N 494.466 5.568 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCN(CCc2ccccc2)CC1 524441577 QNIPOMCXKOZRLX-UHFFFAOYSA-N 468.601 5.274 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 557528017 AOAJVVZWRDJBIS-UHFFFAOYSA-N 499.580 5.302 30 20 JKED C=CCOc1ccccc1CN(C(=O)CSc1nccn1C(C)C)c1ccc2c(c1)OCO2 573349983 WVOSICGDURVYCS-UHFFFAOYSA-N 465.575 5.083 30 20 JKED COc1ccc(-c2nnc(S[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)n2C2CCCCC2)cc1 589716588 JKGTUSYWMBPETD-HSZRJFAPSA-N 473.602 5.228 30 20 JKED Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nnn1-c1ccc(F)c(Cl)c1 595213797 IPAPVZXGLXWIQO-UWVGGRQHSA-N 472.792 5.008 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)cn2)cc1 603829272 PIGOYJXGZROVKY-UHFFFAOYSA-N 476.540 5.025 30 20 JKED CCn1c(SCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)nnc1-c1ccccc1C 603995412 AKORGXRGEBGWET-UHFFFAOYSA-N 496.596 5.128 30 20 JKED Cc1cc(C)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)n2)cc1C 604525230 SQTUEXDXWGHUMO-UHFFFAOYSA-N 453.589 5.065 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(I)ccc1Br 609048989 MTYICCJIQJWKMF-UHFFFAOYSA-N 496.146 5.145 30 20 JKED Cc1cnc2c(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cccc2c1 609379112 SUFKTGDAHWOXTA-UHFFFAOYSA-N 451.495 5.369 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 609427668 YFXVRINBNVREAH-QGZVFWFLSA-N 455.539 5.129 30 20 JKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 624635812 DRFYMCZOAJXCJJ-BETUJISGSA-N 490.391 5.961 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc(-c3ccco3)nc21 642281617 MOCNHCNLYIFJST-SFHVURJKSA-N 453.527 5.886 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@@H](CNC(=O)CCC)C2)c1=S 726183702 DCPNOPARBKHJES-FQEVSTJZSA-N 469.699 5.150 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 726317924 FXDJRWISIRBHGW-SFHVURJKSA-N 467.472 5.753 30 20 JKED CC(C)COC(=O)N1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 726322870 ZOJNEYILDBXLQY-KRWDZBQOSA-N 480.417 5.798 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 726396612 FUSHNFDJZRRDQC-CWTRNNRKSA-N 499.942 5.143 30 20 JKED CCc1cccc[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1ccc(-c2ccccc2)cc1 726572499 XUBJPKGSBSBYED-UHFFFAOYSA-O 480.613 5.710 30 20 JKED Cn1cc(CCCN2C(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2)cn1 726735117 ADSFEGHHMOCPET-RUZDIDTESA-N 497.624 5.166 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726891650 PNYAIRXPVFIQMO-UZLBHIALSA-N 480.615 5.182 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 728005115 IDKYDAKZLMPKOA-NTEUORMPSA-N 465.553 5.028 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CC(F)(F)F)C2=O)cc1 728421116 PDFHVPSSXOIVKJ-FQEVSTJZSA-N 482.487 5.234 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OCc3cccnc3)cc2)nnc1-c1ccc(Cl)cc1 728495431 VJBFALIPWDFPKI-UHFFFAOYSA-N 492.004 5.489 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 728777181 JHILFXZHANPDTB-LJQANCHMSA-N 476.936 5.272 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(CC)c2cccnc2)ccc1Cl 729370533 VHNWJZXKKYFZQC-UHFFFAOYSA-N 490.412 5.436 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1OC 729428162 ANWVKRQAWZQWAK-MRXNPFEDSA-N 461.465 5.149 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 730687198 LTDNBKUHVRYAGV-KRWDZBQOSA-N 473.520 5.720 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730932208 NBDXIVPRWQLZRG-UHFFFAOYSA-N 475.445 5.827 30 20 JKED COc1ccc(-n2cnnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730996176 WCGUPAUQTDSQRV-UHFFFAOYSA-N 493.536 5.031 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 731080370 LOUIKGHYUFYHBX-INIZCTEOSA-N 478.574 5.224 30 20 JKED N#CCOc1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)cc1 731156166 LQQWNWBPUFWCIQ-UHFFFAOYSA-N 485.560 5.049 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1cccc(F)c1)c1cccs1 731311879 IIWWSYCNICGFME-QGPWZHNMSA-N 497.617 5.225 30 20 JKED COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 746687267 VBKDGFQZBPUMKI-CSKARUKUSA-N 487.478 5.405 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)cc1 747600228 NYWANQJXAMTOCW-FQEVSTJZSA-N 482.606 5.048 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C(=C\c3ccc(F)cc3)c3cccs3)CC2)c1 749147056 AKTBLIPCSWTOHP-KQWNVCNZSA-N 459.546 5.177 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 749361399 ZPDNFAKUJCVOHU-DEOSSOPVSA-N 482.971 5.337 30 20 JKED C[C@H](OC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2 825744108 GVEYEZQJQLVCBM-HIXWQLQUSA-N 466.559 5.420 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1[C@H](C)c1cccnc1 837299130 CDBPLKYAUMODES-VGSWGCGISA-N 489.557 5.020 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCc3cccs3)C2=O)c1 837300829 LJTZMVQHENEHMY-NRFANRHFSA-N 483.590 5.099 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1F 838233378 UWFNRZLCCXQJLB-KSFYIVLOSA-N 480.540 5.390 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@H](C)c1ccccn1 838534354 ITRREAVPIDSNET-NTKDMRAZSA-N 488.613 5.429 30 20 JKED Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 849132749 VZUSACUXKVCDMK-INIZCTEOSA-N 496.570 5.003 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1 855151692 PBNOYIHLCIWPNO-FQEVSTJZSA-N 478.980 5.002 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(C)C)c1 913118073 MBLIZOKDMBPUDV-NRFANRHFSA-N 487.025 5.223 30 20 JKED C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)C1 915086563 LSJNBFDBIBNPRY-FQRUVTKNSA-N 473.598 5.015 30 20 JKED N#C[C@H](C(=O)c1cnc(S)n1-c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 915101142 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Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3ccnc(C)n3)C2=O)cc1 917714155 OGIZLZVTJTZYRW-XMMPIXPASA-N 487.629 5.377 30 20 JKED CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 917805544 SZVRBJNBPIKLFU-YYDJUVGSSA-N 459.637 5.032 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Oc4ccc(-c5ccc(C#N)cc5)cc4)CC3)c2c1C 919335016 IZIDMKSEYHKUHQ-UHFFFAOYSA-N 468.582 5.669 30 20 JKED CC(C)[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccccc1C(F)(F)F 919513180 DEGUXNQOAQHBSN-JOCHJYFZSA-N 486.446 5.569 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 919867499 AJRCFDHFBLHHFU-UHFFFAOYSA-N 483.399 5.613 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2C)SC1=Nc1cccc(C(F)(F)F)c1 920169847 IFZYILFSJAKYKB-GOSISDBHSA-N 493.507 5.082 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920324188 NFJRJZBMLXHBRQ-VWLOTQADSA-N 462.553 5.625 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 920872482 USLZOHBBDBMVIK-DFBJGRDBSA-N 474.992 5.715 30 20 JKED CCOCCOc1ccc(Br)cc1/C=C1/SC(=Nc2c(C)cccc2C)NC1=O 921259392 QCWDGNFDLKGFMZ-CPNJWEJPSA-N 475.408 5.373 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 927534244 XODIJJINZYMTBB-MRXNPFEDSA-N 453.951 5.264 30 20 JKED C=CCOc1ccc(/C=C\C(=O)OCc2nc(O)c3c(-c4ccccc4)csc3n2)cc1OC 1343393236 CVABONFJDVEFNG-BENRWUELSA-N 474.538 5.394 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CCO2)C1 1778881501 DTPQQROFZCMIKN-XJFCNFDWSA-N 495.623 5.114 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC(F)F)cc2Cl)C1 1780069163 JDIBUYMSRMADMK-CJFMBICVSA-N 498.998 5.061 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)c1 1785787727 IXNPPHDTSPRXRY-INIZCTEOSA-N 493.394 6.077 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)cc1 1785882644 LGEXCTKMSYHCPV-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)CCC1 1786713043 GTYXLEVOZAMACZ-HXUWFJFHSA-N 495.570 5.002 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C)sc34)cc2)CCC1 1788944918 PHSYRGKJWZDXBU-INIZCTEOSA-N 464.591 5.153 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3(F)CCCCC3)cc2)CCC1 1789158489 YMVASYYSOPTTGH-NRFANRHFSA-N 487.616 5.262 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5cc(F)ccc5n4)cc3)CCC2)c1 1789293909 QWIBRJJZRFDKJY-GOSISDBHSA-N 481.531 5.162 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccnc(Br)c3)cc2)CCC1 1789697893 YDKOAGSEYFKZOI-FQEVSTJZSA-N 468.395 5.360 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)no1 1789846989 XMPGTVJORXYHHD-UHFFFAOYSA-N 482.462 5.189 30 20 JKED CN(C)c1c(F)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1F 1790809325 ABNPVXZXDOSDDQ-UHFFFAOYSA-N 488.538 5.158 30 20 JKED CCC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1)n1cccc1 1790835053 JDMHPXJGEXFUDK-DEOSSOPVSA-N 480.572 5.025 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 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CC(C)C[C@H](C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1)N(C)C(=O)OC(C)(C)C 1792345599 JFPGTLWSNOVESD-JOCHJYFZSA-N 496.652 5.096 30 20 JKED COc1cc(F)ccc1CC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1792363328 PIZMMOJXGSKVFI-LJQANCHMSA-N 485.559 5.452 30 20 JKED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1793585019 VCGWUUIXMXRTMN-CAUSLRQDSA-N 484.596 5.475 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NC(=O)c2ccccc2)cc1 1800271859 GKWFNIUENMQMTM-QEIWAGNOSA-N 473.617 5.183 30 20 JKED C=CC[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](CCC)CC1)NC(=O)OC(C)(C)C 1801813435 LTKZUNOLQDWETR-OVUYMFTPSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2F)[C@@H]1c1cccnc1 1802776364 ZEEYMQHOIJPUOY-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1803077489 LZHRYSYFGPSHSJ-XUZZJYLKSA-N 474.630 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)cc2C(F)(F)F)c1 1803893092 AXOCEXBDIPABTA-PPRPKMEESA-N 489.925 5.551 30 20 JKED N#CC1(C(=O)N2CCC3(CCCN(C(=O)C4CCC(c5ccc(Cl)cc5)CC4)C3)CC2)CCC1 1805626765 JBROAWJOQLUFSZ-UHFFFAOYSA-N 482.068 5.539 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC3(CCCN(C(=O)C4CCC(c5ccc(Cl)cc5)CC4)C3)CC2)c1 1805626841 LESOQVHMMCBFDL-UHFFFAOYSA-N 493.051 5.359 30 20 JKED Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)C2)c(C(F)(F)F)o1 1808404495 DSYIUCHTHILFPQ-QGZVFWFLSA-N 487.522 5.393 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1809205033 AVMBICJULUBWHR-LVXARBLLSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1810173798 QPNDEOKIGKZDFS-RQTOMXEWSA-N 463.622 5.369 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1811217319 AJGJNVJBYGOZAJ-YZUZCNPQSA-N 451.998 5.131 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812596143 IOUQVWNPUUDEGT-NVVBAYIOSA-N 493.957 5.215 30 20 JKED CC(C)/C=C/C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1813696788 ZSYILNXFERJOGY-NXGHCZOSSA-N 477.608 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)C(C)(C)Cc3ccccc3)[C@@H]2c2cccnc2)c1 1813863379 JFSKUQIQRRDKLE-MWVDVNALSA-N 494.639 5.297 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CCCCCCCCCCC(=O)OC)[C@@H]2c2cccnc2)C1 1814220352 CXIWDKGIGSUGKJ-CUBQBAPOSA-N 497.680 5.128 30 20 JKED CO[C@](C)(C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](S)C(C)C)[nH]n1)c1cccc2ccccc12 1814406529 FTDCOBALAWIXBQ-SHQBLQIYSA-N 494.661 5.071 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc3ccccc3n2C)n[nH]1 1814722037 ZLUIFSUFIMNDJU-QHCPKHFHSA-N 461.610 5.129 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1)c1ccccc1 1814931838 QSYLXLZOGDZKII-UKILVPOCSA-N 455.562 5.027 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)n[nH]2)c1 1816283257 QOKZVQUNVKNOAX-QRWLVFNGSA-N 496.493 5.070 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1)c1ccc(O)cc1 1818809893 JMCFFCLHBIFMHR-HWBMXIPRSA-N 474.605 5.051 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)n[nH]1 1818869316 XGQNNGQHCJDRIL-YQVWRLOYSA-N 462.928 5.070 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)n[nH]2)cc1 1818927210 PETSZAIWFONEEO-LYGMZBLVSA-N 473.621 5.123 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](CC=C)C(=C)C)n[nH]1 1819308813 DHKRACUPZXRMMN-JAXLGGSGSA-N 499.656 5.030 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)cc12 1819384928 FXCAVGAKMGMTDX-DEOSSOPVSA-N 489.696 5.556 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1)c1ccc(Cl)cc1 1819481675 ZDQVTKADSFFHMO-UIAHHWCESA-N 496.011 5.207 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(C)noc1-c1ccccc1)CC2 1819599198 AOSIKQKOYJOVHS-OALUTQOASA-N 476.602 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n[nH]1 1819742404 XBDVLGPWMYOGPR-CRAIPNDOSA-N 462.381 5.186 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)n1cccc1 1820219421 RVPMNYAAZKTECA-NHCUHLMSSA-N 478.984 5.084 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(OC)cc3C#N)n[nH]2)CC1 1820838062 YUGFPFYAFLWRAJ-UMEGOILYSA-N 491.636 5.131 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126366 QBRQSRQQQRRIAB-LJQANCHMSA-N 498.933 5.371 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cccc(-c2cnco2)c1 1821186921 XYWJXHUKJPXUJD-HSZRJFAPSA-N 499.958 5.076 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1822392712 YVDULIAGRHMNTQ-RUZDIDTESA-N 479.584 5.439 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)n1 1824051220 GQCJAJDEWNIQJM-XMMPIXPASA-N 478.662 5.004 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c1 1824052642 QIOHCABIJDPGEW-QHCPKHFHSA-N 475.614 5.232 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1824509112 UFMZSQVHVBEFQH-NTKDMRAZSA-N 499.051 5.326 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)c2O1 1827514306 JQKMPVBQUNBCIL-HHHXNRCGSA-N 499.655 5.138 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360816 PXFXPSIMSSKHBQ-XMQADNEMSA-N 463.622 5.022 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NO[C@@H](c4ccccc4)C3)CC2)c1 1828393335 WNGUICKLJICCBI-AOLGGSBGSA-N 498.627 5.065 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1828826755 BMCQGZNFRIMJLM-AHWVRZQESA-N 460.622 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)nc3ccc(F)cn23)CC1 1829068735 NOHLSWNABSQJLB-QFIPXVFZSA-N 468.617 5.008 30 20 JKED Cc1nc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)o1 1829295476 INTCVGWTFRCCOP-MUUNZHRXSA-N 495.623 5.238 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)cc2Cl)CC1 1829657639 YMPWFQXWAWCKJQ-FQEVSTJZSA-N 472.935 5.091 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)c1 1829676762 PBVLDOIINIHXTN-SANMLTNESA-N 479.665 5.407 30 20 JKED CCOc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689705 NGHXKLVMAPEIEK-QHCPKHFHSA-N 480.008 5.157 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1830347640 DIRWWRXWRBABFJ-MHZLTWQESA-N 488.628 5.096 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3NC(=O)OC(C)(C)C)CC2)C1 1830604908 AAUWNAVCNPREHZ-DEOSSOPVSA-N 481.637 5.233 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830708047 KITGGELQPLXFHJ-NBGIEHNGSA-N 482.715 5.531 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1830771029 NCPYBHKDRFEEHH-JOCHJYFZSA-N 485.415 5.116 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1830792498 FSMBLWHABLSAJC-ZJSXRUAMSA-N 473.608 5.033 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1831447138 XYUYRIDEGLHJTE-JOCHJYFZSA-N 495.570 5.873 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)C(F)(F)F 1831453074 KTVSKUAEYOHUED-SFHVURJKSA-N 496.879 5.711 30 20 JKED C[C@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC=CCC1 1832406241 BAHQYVGNXXODGR-GJZUVCINSA-N 454.014 5.191 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4c(c3)CCCO4)CC2)c1 1832631728 HHIFLURWRZGYFB-RBISFHTESA-N 499.655 5.115 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832706255 KPXRYAANBSPXDI-JOCHJYFZSA-N 466.519 5.271 30 20 JKED N#Cc1ccc(CSc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)cc1 8760927 GMNOAMXASFZDRP-UHFFFAOYSA-N 456.962 5.483 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1 10830317 YJFGKIMFXWVHCL-UHFFFAOYSA-O 492.451 6.923 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1ccc2c(c1)CCC2 11159648 JXPPYYQTFBYQPM-UHFFFAOYSA-O 458.390 5.526 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1ccoc1C 16726730 PECRTIYYKNDWIA-SFHVURJKSA-N 476.627 6.303 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccccc1OC 18973019 IRWLRIVRPIGNSD-QHCPKHFHSA-N 494.617 5.338 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1nc(-c2ccccc2)cs1 22578607 JCQYOGOLAFKIMB-UHFFFAOYSA-N 467.541 5.160 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(SC(F)F)cc1 22690318 CETJNIJSFWGDKA-UHFFFAOYSA-O 463.620 6.272 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(Cc3ccccc3)cc2)s1 22693412 SHPDLOKELSDGPN-UHFFFAOYSA-O 493.677 7.139 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(C(C)(C)C)cc2)s1 22732624 DNZQRQJJMMTIDE-UHFFFAOYSA-O 488.496 6.455 30 20 JKED COc1ccc([C@@H](C)NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 26195340 QVCBZHWKARFYFD-LLVKDONJSA-N 475.364 5.549 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc3c(c2)CCCC3)cc1C 28649262 ORDFYLIGYXNDLT-UHFFFAOYSA-O 487.645 5.600 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(OC2CCCC2)c1 31284891 MMQJYIYDWYHUME-UHFFFAOYSA-N 459.340 5.058 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 32479716 VDOUCPVKPYVVIV-UHFFFAOYSA-N 453.567 5.767 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CC)ccc1Cl 69143038 YPVAFUDXYKIYKF-SFHVURJKSA-N 481.445 5.779 30 20 JKED C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 103326616 FGHXAYCAVNFBJT-XHFXOGKZSA-N 485.613 5.343 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)s2)cc1OC 106297841 ZNTZYUUMIHWECY-UHFFFAOYSA-N 485.565 5.839 30 20 JKED Cc1occc1-c1nn(CN(Cc2ccc(C#N)cc2)C(C)C)c(=S)n1Cc1ccccc1 109403919 IGIVGQMYMYDMIX-UHFFFAOYSA-N 457.603 5.771 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)cc2)cc1 302963835 CHIZPPYRRDDTBH-HSZRJFAPSA-N 478.346 5.718 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)c1 409836526 ODIBURUHHNTSCW-HSZRJFAPSA-N 483.337 6.030 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1 497480073 RREWPSFBDNDKJS-UHFFFAOYSA-N 455.583 5.615 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)no1 501420985 JCYFOAGDMYFVOX-UHFFFAOYSA-N 470.554 5.568 30 20 JKED Cc1ccc(-n2ncc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2C2CC2)cc1Cl 501696972 LAXLCAOPAABCCN-UHFFFAOYSA-N 487.991 5.074 30 20 JKED C=CCc1ccc(OCC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c(OC)c1 502710851 FYRYPOFNOBBTMH-UHFFFAOYSA-N 450.922 5.347 30 20 JKED C=CCN(C(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 502889834 YIWMGYRKKJYRDC-UHFFFAOYSA-N 473.558 5.283 30 20 JKED N#Cc1c(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)sc2c1CCCC2 503228428 FKCVKTJKESFMCF-OREJSRFESA-N 469.557 5.189 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 510523359 UEFVWXRWGLDOHX-JOCHJYFZSA-N 460.622 5.054 30 20 JKED COc1ccc(-c2noc(CCCC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)n2)cc1 512305959 XYGOUYJDCZCCAP-UHFFFAOYSA-N 484.531 5.621 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1nc2ccccc2[nH]1 513649471 XXCGCNYBYCXFDF-GOSISDBHSA-N 459.303 5.068 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 515673956 MCJCEHPYDAVAGH-DEOSSOPVSA-N 458.518 5.264 30 20 JKED CCCCCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 516461397 YPWGMSWTGGADOV-UHFFFAOYSA-N 480.996 5.895 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccccn2)c1 517640153 NXBYIUVXWIYVDY-XMMPIXPASA-N 482.005 5.094 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(CCc3ccccc3)Cc3cccnc3)s2)cc1 518178534 ADPRTDSHRCGSST-UHFFFAOYSA-N 486.626 5.374 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 518470564 AYHBAIPVLVDPLS-JOCHJYFZSA-N 454.574 5.751 30 20 JKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 518696302 XGWOFNTUEGMLOZ-UHFFFAOYSA-N 475.552 5.922 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1C 518912416 HAGIQNAATGVTGS-UHFFFAOYSA-N 470.602 5.543 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 520847165 YVHXIHVRYPJKSN-UZUQRXQVSA-N 479.552 5.255 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 520880930 VDWGMNRMIPNKCT-OAHLLOKOSA-N 463.465 5.448 30 20 JKED COc1cc(Br)c(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 521261123 MNSSIGNXPSBNLX-CYBMUJFWSA-N 464.385 5.040 30 20 JKED CC(C)Cn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2ccccc2c1=O 521733190 ASAYHPUWSVGILG-UHFFFAOYSA-N 474.508 5.329 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc1-c1cccc(Cl)c1 524013283 IBMUTPFDCRIJAM-MRXNPFEDSA-N 480.014 6.456 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1 524141407 MRRMNDVQMVMVAM-HHHXNRCGSA-N 455.558 5.288 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 561216205 YHZXWHZDTPLIRY-FQEVSTJZSA-N 491.657 5.197 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCO[C@H](c2ccccc2F)C1 589523901 LZZWMAXWNIFAJZ-SFHVURJKSA-N 487.375 5.263 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 590275501 CAQNYQUFVIRAOL-UHFFFAOYSA-N 470.525 5.209 30 20 JKED C[C@H]1C[C@H](C)CN(c2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)C1 602240345 LMEOHHYYRKICBK-IRXDYDNUSA-N 499.040 5.048 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 603460130 LDCQSNCTYGRREE-VWLOTQADSA-N 484.506 5.309 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccccc2SC2CCCC2)nn(-c2ccccc2)c1N 603657002 NKEFGKIXTHTYOV-UHFFFAOYSA-N 460.607 5.115 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(OCc3ccccn3)c2)cc1 603831529 FWLCMOBSVPCJCE-UHFFFAOYSA-N 478.552 5.627 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604241777 NBYQTGDHXOCBIM-UHFFFAOYSA-N 490.519 6.335 30 20 JKED Cc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1-c1ccc(Cl)cc1 609173174 LUHZPYNTBIAIGM-RUZDIDTESA-N 456.933 5.408 30 20 JKED N#CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CC3)CC1 609328669 QMSUJBDPOSQWQK-ZPHPHTNESA-N 456.977 5.093 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)nc21 609371199 AOCULEIOXZTAJG-MRXNPFEDSA-N 476.631 5.515 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 609377657 YFWJHVUQVIHTIO-OAHLLOKOSA-N 457.477 6.397 30 20 JKED N#Cc1ccc(N2CCC(N[C@H]3CCCc4nc(-c5ccc(Cl)cc5)sc43)CC2)nc1 610809575 GNYZITOHDXCKJB-FQEVSTJZSA-N 450.011 5.366 30 20 JKED C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 613407064 GZTLBKWGXZPOGO-KBXCAEBGSA-N 474.007 5.003 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1[C@H]1COc2ccccc2O1 643092513 VOSNZGVXSMTNEF-MGPUTAFESA-N 479.537 5.327 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 726117497 ZHWSBHHAYICLRD-HRAATJIYSA-N 481.647 5.303 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(OC(C)(C)C)cc1)c1cccs1 726414908 DGGYKHKXMYVZSE-UXWDHBSWSA-N 485.675 5.155 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@H](C)c1cccs1 726421016 NPRQRGRVPKKPPH-XWSQKVDZSA-N 486.594 5.082 30 20 JKED COc1cccc(-c2nc(COC(=O)c3occc3COc3cccc(C#N)c3)cs2)c1OC 726689595 PMLUZTCPCJNJND-UHFFFAOYSA-N 476.510 5.228 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726889772 SHWLPXOIAIOOEC-QRWLVFNGSA-N 498.605 5.321 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 726938874 XSNPCZJYXPPQOV-UHFFFAOYSA-N 496.498 5.706 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)Nc1ccc(Cl)nc1 727159933 PCAZPYHSYOUKNT-UHFFFAOYSA-O 496.056 5.705 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)cc1C 727920325 XOASHUAERNYDNC-UHFFFAOYSA-N 486.528 5.327 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1sc(N2CCCC2)nc1Cl 728164120 MUVPUWJKPPREAC-UHFFFAOYSA-N 454.958 5.563 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1-c1ccc(F)cc1 728183299 QYICOPPAPNESDK-UHFFFAOYSA-N 491.519 5.253 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1C 728422632 DMCZSACNLXGXJJ-CYFREDJKSA-N 483.597 5.292 30 20 JKED Cc1cc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4ccccc43)c2C)ccc1Br 728705557 YSNSTHXJEJCYMC-UHFFFAOYSA-N 474.358 5.235 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)N[C@@H](C)c2ccc(Cl)cc2Cl)[n+]2ccc(C)cc2)c1 729669537 GTJRKRVFYAVUBV-AWEZNQCLSA-O 492.404 5.259 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2)cc1 729891839 NWMBZNUFNLYHDI-RPWUZVMVSA-N 465.578 5.856 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730458567 ANPJXABVYLKMIT-GOSISDBHSA-N 465.472 5.357 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2C2CCC2)c1 730459936 PMKNHIRXARDZNJ-IBGZPJMESA-N 461.946 5.001 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)O[C@@H](C)C2 730686477 GQVWZTXDFQHDBC-BRUFTZQQSA-N 473.356 5.167 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(CC)cc3)N(Cc3cocn3)C2=O)cc1 730720033 NGHQVPUWSZMENG-HSZRJFAPSA-N 492.601 5.186 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 730942154 GQLDYKYJXTWLHQ-RXFWQSSRSA-N 494.620 5.634 30 20 JKED O[C@](CNc1nc(C(F)F)nc2ccccc12)(c1cccc(C(F)(F)F)c1)C(F)(F)F 731209993 IEVFWKSAUUSCOP-QGZVFWFLSA-N 451.317 5.448 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2Cl)cc1 731306581 WEDKAUIYQVYIKJ-QFIPXVFZSA-N 495.988 5.215 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)s1 731311811 FKCPIXQGNBRIGJ-OPAMFIHVSA-N 490.610 5.355 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H]2CCc3ccc(F)cc32)c1 731312971 UTVFZDFLFXRVQU-LOSJGSFVSA-N 499.567 5.160 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(OC)cc4)o3)n2)cc1 746417470 XEBHFBSAEKSRPG-FQEVSTJZSA-N 459.527 5.291 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCc2nccs2)C1=O)Nc1ccccc1 747602308 ZMMWRMKYGREQNO-GOSISDBHSA-N 488.997 5.139 30 20 JKED CC(=O)N(c1nc(/C=C2\COc3c(C)cc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 750908876 IMVUBKHAMCOANY-AWNIVKPZSA-N 460.889 5.726 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O 799213620 XRDPRPRYYDJQRR-MRXNPFEDSA-N 489.878 5.010 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O 799217809 QYXZGONGPYQNAF-INIZCTEOSA-N 455.889 5.171 30 20 JKED O=C(Nc1ccc(C/N=C/c2cc(Br)cc(Br)c2O)cc1)c1ccco1 818213268 HMWZTENJYQLFQB-SSDVNMTOSA-N 478.140 5.382 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccc3F)C2=O)cc1 837519201 MKDSNAONDJWXGJ-HSZRJFAPSA-N 475.545 5.189 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2cccs2)C1=O 838227855 NUUAJAJXXCSMJJ-OAQYLSRUSA-N 483.590 5.365 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3cccnc3)C2=O)c1 838271108 PMBVZXVFXROAAC-NTKDMRAZSA-N 490.604 5.867 30 20 JKED CCN(CC)c1ccc(N(Cc2cccs2)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 914779040 WCMHISLBEIHIGU-UHFFFAOYSA-N 486.645 5.292 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3csc(NC(=O)Cc4cccs4)n3)c2C#N)C1 915138720 QHXYQBHRPRPWEB-CQSZACIVSA-N 498.699 5.651 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=S)Nc1ccccc1C#N 915994105 GZYAXCFCARMLEI-UHFFFAOYSA-N 456.980 5.130 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(F)(F)F)c1 916217514 OMCSDSBDEOAFBA-LJQANCHMSA-N 479.524 5.474 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cccc(C(F)(F)F)c1 916218005 ZRSACKQGFKXYKF-IBGZPJMESA-N 495.523 5.093 30 20 JKED O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1 916285845 KVFJDTVVIFZUBP-UHFFFAOYSA-N 466.423 5.366 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)cc1Br 916320999 QPLGMJTYNKYWTK-UHFFFAOYSA-N 475.412 5.097 30 20 JKED COc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 916367959 SEFLDQYHTUZLNI-GOSISDBHSA-N 479.389 5.195 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cccc2ccccc12 916915710 OCDZSBGWNATRJU-AHWVRZQESA-N 461.521 5.049 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 916917487 HFOZBYUQQPKHHY-LJQANCHMSA-N 453.361 5.183 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 916924498 ZIUCPAXZLMUWKP-OAQYLSRUSA-N 466.497 5.072 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 916949489 OQSXRVBMRFQXCV-AFMDSPMNSA-N 451.526 5.612 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(=O)n(Cc5ccco5)c(S)nc4c3)n2)cc1 916974943 SEINTJVNJNSKJQ-HXUWFJFHSA-N 498.589 5.249 30 20 JKED COc1ccc(Nc2nc(Cl)c(C=Nn3cnc4sc5c(c4c3=O)CCCC5)s2)cc1 917024275 CHDLUHBCCYCOPU-UHFFFAOYSA-N 471.995 5.081 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ccc2s1 917042185 DGIMXOCZIIIPLQ-SFHVURJKSA-N 452.457 6.308 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc2cc(Cl)ccc2s1 917046540 KTFDRHQCZKKODJ-TZIWHRDSSA-N 458.926 5.894 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1C 917177190 SLOXLULKABXYRT-UHFFFAOYSA-N 482.613 5.044 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)cc1 917663421 MYOPPLOAQZRZME-OAQYLSRUSA-N 482.606 5.114 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)ccc1F 917704007 QCDQRSHVIVBCCK-HSZRJFAPSA-N 472.545 5.166 30 20 JKED Cc1ccc(N2CCCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 918040299 ZEULYNHHQZLDSX-UHFFFAOYSA-N 454.574 5.384 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1 918476495 SRRBQTXQYGECPF-WUFINQPMSA-N 493.994 6.034 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)N[C@H]2CCCC[C@H]2C)cs1 920364944 KWNHNJZHPBNMHV-ACJLOTCBSA-N 483.585 5.223 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 920457471 QEQPAFGEXZWKIE-LXBDKUERSA-N 469.541 5.206 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 920869992 RAZMASQTTQYZRP-OXJNMPFZSA-N 493.551 5.257 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)no1 1787547731 LSLWOZHVSJPKHI-GOSISDBHSA-N 456.546 5.487 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)nc4sc5ccccc5n34)cc2)CCC1 1788339416 PUYAIOQDVAJHQS-UHFFFAOYSA-N 497.502 5.229 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4occc4Br)cc3)CCC2)c1Cl 1788718199 FOGCCOYSXVKOTF-UHFFFAOYSA-N 498.764 5.629 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1)c1ccc(O)cc1 1788952978 ONKLGAMUILTUEI-OAQYLSRUSA-N 492.579 5.213 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5c(C)cccc5[nH]4)cc3)CCC2)c(C#N)c1 1789274701 NBQFLEPEJKARAP-UHFFFAOYSA-N 492.579 5.347 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)cc3)CCC2)cc1 1789575940 DOMISCDVBUJANH-FDAWAROLSA-N 496.542 5.348 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790091924 FLFLWXRGBZBHNF-UHFFFAOYSA-N 499.954 5.785 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccccc4)cc3)CCC2)c(C(F)(F)F)n1 1790210831 CKDUTAYBDKDNFN-UHFFFAOYSA-N 464.447 5.034 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Br)cc3)CCC2)cc1 1790569670 HCBKWWYZTBRIQF-GAVDFCLNSA-N 498.421 5.397 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CC4)CCC3)cc2)cc(C(F)(F)F)c1 1790785594 UIESVCMNYLINHB-RUDMXATFSA-N 453.464 5.291 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791244567 VKKPFRYKMHYTOL-CNNODRBYSA-N 469.626 5.026 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3scnc3C(F)(F)F)CCC2)cc1)C(F)(F)F 1791302146 QMAGTRICMLKOFP-UHFFFAOYSA-N 463.403 5.028 30 20 JKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1)c1ccccn1 1791942752 UNVNQQWNUGYDME-QGZVFWFLSA-N 458.949 5.158 30 20 JKED C[C@H](Nc1nccs1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123998 XLFFAAGRTISFHT-MSOLQXFVSA-N 473.602 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792289869 LFLWZZSGTNWLPQ-HSZRJFAPSA-N 481.637 5.146 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)c1 1792378122 LNZXNHYUIYZDMJ-DNOBIOAJSA-N 463.528 5.807 30 20 JKED 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C#CCCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812514513 UXEWBVKFBOTGKC-NVQXNPDNSA-N 478.036 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1813830048 HIMJWOYOFDVMAL-OFNKIYASSA-N 454.014 5.355 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@]2(F)CCCC=C2F)[C@H]1c1cccnc1)c1ccccc1 1814284089 GOAMOOKUBPZHJT-KDJXNGHWSA-N 491.582 5.030 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)[nH]n1 1814826985 HDBDUVJQPCQHQF-SFHVURJKSA-N 493.942 5.134 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1814827468 QCJZLUBOTDPAKI-XMMPIXPASA-N 475.568 5.618 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)[nH]n1 1815242944 JOERBRCLNMVIGR-NZQKXSOJSA-N 499.587 5.010 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)n[nH]2)C1 1818213580 ZJXJHJKTQLVLHY-IBGZPJMESA-N 463.504 5.083 30 20 JKED 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C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1827728843 WJURSAQTYLPWNA-AHWVRZQESA-N 491.632 5.352 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166059 HBCXKHVZJWZXJG-PZJWPPBQSA-N 489.081 5.361 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=N/N3CCCCC3)CC2)c1Cl 1828918006 FWPGHIWHTLIUNZ-YGYFLSRZSA-N 493.479 5.007 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CC2)C1 1829563638 XNFDOQTYTTXGRN-MHZLTWQESA-N 482.628 5.429 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1829955732 QYDKFBIMVVKWKP-DEOSSOPVSA-N 475.976 5.505 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1829967516 BCTADJHWSSINBY-IBVKSMDESA-N 461.581 5.308 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)cc1 1830011687 CLLKGQJOAMXTHY-AREMUKBSSA-N 494.035 5.304 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1830159532 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C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)CC1 1831587371 AYRKXFAVYWFCAH-ZUSJUXBOSA-N 450.623 5.097 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3cc2O)CC1 1831859675 GTAFCBWAPLIYSC-QFIPXVFZSA-N 485.422 5.117 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)CCC1 1831949210 ZCXKBQYTDWNKPN-OAQYLSRUSA-N 495.973 5.215 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1832034672 RDRYABJYNWPJJC-QFIPXVFZSA-N 481.618 5.236 30 20 JKED Cc1ccccc1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634358 QMSNRRLPCUTFGW-FIPFOOKPSA-N 471.645 5.488 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832717599 PNDPSUYTNXNQMZ-LJQANCHMSA-N 469.935 5.142 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CCC1 1832785021 CDHQKGKVMPFNLF-DEOSSOPVSA-N 469.585 5.513 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)sc3Cl)CC2)CC1 1836020450 CDFDKKMECDWTKA-UHFFFAOYSA-N 486.509 5.233 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3C)CC2)CC1 1838375926 XBNHKSFONYRYIT-JOCHJYFZSA-N 492.582 5.394 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)C1 1843218325 KSJDPCMWQMHXNV-UHFFFAOYSA-N 456.590 5.039 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1SCC(=O)NC1(C#N)CCCCC1 9033785 GBQXUCIOPCPJHT-UHFFFAOYSA-N 476.046 5.306 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(C)c2C)cc1 10167958 LCEVRBUOCZECJV-UHFFFAOYSA-O 462.683 6.501 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)CC2)cc1 11740351 LQXRKKPKNZQZBP-UHFFFAOYSA-N 464.544 5.261 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(CCC3CCCC3)[nH]2)n(Cc2ccc(F)cc2)c1C 14805736 BOPFMLVMZMQRPO-UHFFFAOYSA-N 480.613 5.136 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nnc1-c1cccc(C)c1 22010813 ZKCQFCDIZSHNPX-UHFFFAOYSA-N 466.916 5.843 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccccc2Cl)cc1 22730392 LJQJFRZAGGXLLD-UHFFFAOYSA-O 454.015 6.030 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc3c(c2)CCCC3)s1 22731749 BJOBDZCFTBJGIU-UHFFFAOYSA-O 491.580 6.172 30 20 JKED CCOc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 24393867 NOIAUYGRGCTDAW-DVECYGJZSA-N 483.568 5.162 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)nnc1-c1ccc(Br)cc1 25190102 GVPQLTCJKYVVTD-DLBZAZTESA-N 485.451 5.294 30 20 JKED C[C@H](OC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)N(CCC#N)c1ccccc1 26007100 WHCHTLKHLUUJBD-KRWDZBQOSA-N 483.446 5.385 30 20 JKED C=CCN(C(=O)c1nc2nc(C)cc(C)n2n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769943 YUXVXZBPYIEJPE-UHFFFAOYSA-N 459.362 5.004 30 20 JKED C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 26973600 GFBFAACXAAPTSV-KRWDZBQOSA-N 499.015 5.087 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1c(C)nn(-c2ccccc2)c1Cl 27129095 IACVXGVCRCOYQL-UHFFFAOYSA-N 469.973 5.622 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)COc3ccc(F)cc3Br)c2)c1 32288432 NWXJJSMAUNGQNK-UHFFFAOYSA-N 455.283 5.056 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)nnc1-c1ccc(Cl)cc1 32450946 DQIULUFXLWWVJY-UHFFFAOYSA-N 493.976 5.361 30 20 JKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(OCc2ccccc2C#N)cc1 33224436 XDXPTPUGCUTPAZ-UHFFFAOYSA-N 482.367 5.545 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nnc1C1CC1 36817736 XXJCTPXWQLQSJS-YWZLYKJASA-N 482.009 5.446 30 20 JKED C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nc2cc(Cl)ccc2c1=O 59738266 OTVXSNNUIJNUOT-UHFFFAOYSA-N 465.962 5.051 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1Cl 107649051 YIDKTAOZGGDRHJ-XMMPIXPASA-N 495.922 5.637 30 20 JKED Cc1sc2ncn(CC(=O)c3cn(CCC#N)c4ccccc34)c(=O)c2c1-c1ccccc1 115035049 ULRVIICKXVSRRH-UHFFFAOYSA-N 452.539 5.185 30 20 JKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 303062676 VBEFAJBKHCMNTR-HXUWFJFHSA-N 469.610 6.117 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2O)cc1 436709697 OWSJOGXHGYSGSJ-UHFFFAOYSA-N 478.346 5.460 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1Cl 484221917 QBZJZELYPBFLNT-GMAHTHKFSA-N 487.943 5.026 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4nc(N)c(C#N)cc4C#N)cc3)sc2c1 487293655 RIEHZTGOPFLZTR-CQSZACIVSA-N 470.583 5.112 30 20 JKED Cc1ccc(-n2nc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c3c2CCC3)c(F)c1 500125946 QIWMGKMRJDINCR-UHFFFAOYSA-N 490.589 5.076 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)nnc1-c1ccccc1 505050385 HWDJQUDZHALFOT-HNNXBMFYSA-N 489.523 5.460 30 20 JKED O=C(NCC1(c2ccc(F)cc2)CCC1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 506418830 JRZPAEKTDILOOD-UHFFFAOYSA-N 462.365 5.040 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCc2cccc(C#N)c2)nnc1-c1cccs1 510367796 UHGZMGAZTYTUDE-SQBLYHGDSA-N 477.659 5.284 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1C 512957147 LPDQMCDOPIAEEJ-KRWDZBQOSA-N 456.999 5.433 30 20 JKED Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4ccccc4-c4ccccc4C#N)CC3)n2)cc1 513181769 RSQYNEKWHVHHEX-NRFANRHFSA-N 477.568 5.103 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2nc3ccccc3o2)c1 514347730 SAQJQUDFJRSEKI-UHFFFAOYSA-N 481.961 5.139 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3ccccc3C(F)(F)F)s2)cc1 514767211 PNURMIZUTMAMNR-HOTGVXAUSA-N 460.506 5.463 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1[C@@H]1COc2ccccc2O1 514936057 PZIHTXMIGHHTDV-QRWLVFNGSA-N 479.537 5.327 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C 515457948 UVPJZZWGIUWMDZ-UHFFFAOYSA-N 456.974 5.231 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 515702982 FMAVDFAEOBNUGG-CYBMUJFWSA-N 457.315 5.392 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)nnc1-c1ccc(Cl)cc1Cl 516136360 IAJSLRAWXIESEQ-SUMWQHHRSA-N 477.417 5.563 30 20 JKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)o1 516735675 RNVSEVPVIRSANF-SBUREZEXSA-N 455.514 5.197 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 516801163 FHKFRJBAITXVKR-UHFFFAOYSA-N 478.936 5.662 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 517076468 IGCMGPYAHMVBQT-UHFFFAOYSA-N 470.594 5.594 30 20 JKED C=CCN(C(=O)Nc1ccccc1CN1CCc2ccccc21)[C@H](C)c1cccc(-n2cnnn2)c1 517530106 NITPNMRMKXDVLX-OAQYLSRUSA-N 479.588 5.006 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)Cc1ccc(C#N)cc1 518951408 PYLBOTGUNSMBEY-UHFFFAOYSA-N 466.463 5.802 30 20 JKED C=CCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 519508588 FZCCSTUFNBHLQR-HNNXBMFYSA-N 484.507 5.194 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1C 519947144 RQHWETZZPJZRDO-QFIPXVFZSA-N 491.595 5.824 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)Cc1cccc(C#N)c1 519958078 WPCKGFVJUXNQJR-UHFFFAOYSA-N 466.463 5.802 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCCO 519992802 QWAJZFCVMLJMHN-VGOFRKELSA-N 479.964 5.258 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC1CCCC1 520855564 RXVCNSNMNHSHRH-ROUUACIJSA-N 453.608 6.151 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)cc2F)c1 521498919 QCCMBLZGIPIHAL-UHFFFAOYSA-N 461.880 5.766 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccc(Oc4cccc(F)c4)nc3)s2)cc1 522197763 XSBGMHQZDFIWMW-UHFFFAOYSA-N 459.506 5.254 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3SCc3cscn3)cc2Cl)c1 524249885 LMCHTJCPHXAXMC-UHFFFAOYSA-N 492.025 6.792 30 20 JKED CCOc1ccccc1[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)NC(C)=O 524518920 CMLYGOWDQOCPPU-SANMLTNESA-N 471.557 5.050 30 20 JKED C=CCN(C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21)[C@H](C)c1cccc(-n2cnnn2)c1 561394150 ILDGXAWEOKQPLL-IBVKSMDESA-N 480.572 5.112 30 20 JKED C=C(C)COc1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)c1 589739925 BYDYEBZPKSCGBK-RUZDIDTESA-N 464.587 5.900 30 20 JKED C=CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 603440967 QSMXHWIPYVXIPC-CQSZACIVSA-N 493.976 5.098 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2C(F)(F)F)cc1 603673391 OIMKUBRVZYCDOU-OAQYLSRUSA-N 494.904 6.761 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccnc(Oc4ccccc4)c3)c2)cc1 603809688 WZTWKVPJOLRYPS-UHFFFAOYSA-N 464.525 5.841 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2Cl)cc1 604135140 HOVXMQVTOFMLLA-VWLOTQADSA-N 482.927 5.243 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 604499836 NLHFOINUWSVNBO-UHFFFAOYSA-N 486.450 5.103 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 608817813 NXWUNKKRBIVVEU-JOCHJYFZSA-N 482.515 5.346 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cc2F)c1 609107148 WOWNMTCEEBKJLS-UHFFFAOYSA-N 494.935 5.711 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 609139312 ZQPANVLOXIEXJR-QHCPKHFHSA-N 486.572 5.782 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)c3ccco3)c2)cc1 609176409 HJRMWYPPLZXKCW-VWLOTQADSA-N 463.493 5.149 30 20 JKED CSc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2F)N2CCc3sccc3C2)cc1 609252496 ALMVJJRJBLYSCW-QHCPKHFHSA-N 480.634 5.080 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 609404577 HXQPYSGZTLALAN-AWEZNQCLSA-N 464.418 5.278 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cccs2)cc1 609436183 WQZZUXCSDZBZIB-HOYKHHGWSA-N 477.655 5.939 30 20 JKED O=C(NCCOc1ccc(C(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804200 DRNLIEURKOSDCH-VXGBXAGGSA-N 466.344 5.293 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccccc1F 613388861 PHFCUSAYXNWXIR-RUZDIDTESA-N 490.579 5.749 30 20 JKED Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n(-c2ccc(C(F)(F)F)cn2)n1 618541744 GOXPTSMVFTVHRC-RYUDHWBXSA-N 489.342 5.189 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2cc(C(F)(F)F)ccc2s1 624443680 WGHZXZUADSOBLY-MRXNPFEDSA-N 495.511 6.114 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(-c2ccc(Cl)cc2)n1 677815088 UNFAKBUTPBINNB-UHFFFAOYSA-N 460.072 5.562 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)c1 726422082 SGCAZYZEHQTLLF-AJFFZHMISA-N 494.642 5.303 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/[C@@H](C)c1cccs1 726422199 UDEUZMOWPNYTQS-SORKJZMRSA-N 473.664 5.037 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@H](C)c1cccs1 726423181 ZROOZUCEIGUHBY-LXKIKUQISA-N 494.082 5.525 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc(C(CC)CC)cc2)c1 726573320 AICSENTVFUVWBY-UHFFFAOYSA-O 462.038 6.836 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 726692506 ZXGVJWFHODKEPI-UHFFFAOYSA-N 478.810 5.198 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)cs1 727266761 FCUSUQDJNMWTPB-XMHGGMMESA-N 471.607 6.472 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1cnc(N2CCCC2)nc1 727780506 OIDAZBGLUVINQU-RUDMXATFSA-N 455.381 5.167 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cs1 727781703 VTPOVILMXLTZDY-JLHYYAGUSA-N 463.559 6.295 30 20 JKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(SC(F)F)cc3)cc2F)c1 728175100 IQFWNNPMUPZWGS-UHFFFAOYSA-N 459.518 6.400 30 20 JKED Cn1c(-c2cccc(OC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)nc2ccccc21 728223617 DRSNZGOKEUDKPL-UHFFFAOYSA-N 493.523 5.182 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC(c3ccccc3)C2)C1=O 728420562 GFNQKRCJKSTDAP-GXOAENINSA-N 475.586 5.015 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 728424276 XNVXJYYNBMOKDI-DVECYGJZSA-N 483.597 5.292 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1OC 729889617 SVYZNEGUKFPKIZ-NSHDSACASA-N 483.760 5.840 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)cc1C 730441918 OZAWGKRZZZSRNR-QHCPKHFHSA-N 476.602 5.111 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCC1 730460362 ZANQYCICIMJNKU-IBGZPJMESA-N 472.954 5.069 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1 730631644 ONDKAUJFBOGUBB-SFHVURJKSA-N 483.540 5.282 30 20 JKED CSc1cc(-c2csc(=Nc3ccccc3C#N)n2Cc2cocn2)ccc1NC(C)=O 730707585 GZCYPWOXIZTSRN-UHFFFAOYSA-N 461.572 5.037 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 731060613 ZKWVLGMUKYTNSA-LJQANCHMSA-N 481.577 5.949 30 20 JKED Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 731064764 XTVRKUIKRRZQIB-QGZVFWFLSA-N 450.585 5.913 30 20 JKED N#Cc1ccc(COC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c(F)c1 731101514 DVCUAZAASJWLNM-UHFFFAOYSA-N 474.748 5.245 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(Cl)cc2)s1 731305193 IXCIAFORTUUJQM-FQEVSTJZSA-N 486.018 5.576 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c1 743524079 GDUVKEPKBDIQRH-HXUWFJFHSA-N 455.486 5.027 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(C)ccc1F 743524094 GJUMLEUXYDFYIT-FQEVSTJZSA-N 477.989 5.093 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(CCc2ccc(C)o2)C1=O 743524323 JEQNRPUDEIUXCE-QHCPKHFHSA-N 495.576 5.247 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1[C@@H]1COc2ccccc2O1 745956873 MLNYYBRASCAYOU-JXFKEZNVSA-N 461.547 5.188 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(N)cc2)ccc1Cl 746478746 YHFFHAYBTFMILE-UHFFFAOYSA-N 476.385 5.209 30 20 JKED N#CC1CCN(Cn2nc(-c3cccc(Cl)c3)n(-c3ccccc3C(F)(F)F)c2=S)CC1 747079250 VWRUUTVSTBKJCM-UHFFFAOYSA-N 477.943 5.936 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1 799218718 JJSPKFXSNQOLBR-OAHLLOKOSA-N 459.852 5.002 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1CC 799221957 OOAMJPMSQNWJTM-SFHVURJKSA-N 460.386 5.149 30 20 JKED N#C[C@H](C(=O)CSc1nc(C2CC2)nn1-c1ccccc1)c1nc(-c2ccccc2)cs1 818376892 YAWQEYVCJFGOFH-LJQANCHMSA-N 457.584 5.237 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 837440477 XUPAVFFIOOZTNM-GAJHUEQPSA-N 494.567 5.698 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(CCc2cccs2)C1=O 838231260 FUKFMGAFZZYDFH-JOCHJYFZSA-N 497.617 5.407 30 20 JKED C=CCn1c(SCc2nc(-c3cc(C(=O)OC)co3)no2)nnc1-c1ccc(Cl)cc1Cl 904944565 JYIWPKTZOPGLJA-UHFFFAOYSA-N 492.344 5.160 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C2CCCC2)C2CC2)c1 914573485 BFRWFJJLDRXFDM-UHFFFAOYSA-N 459.011 5.269 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccccc1OCc1ccncc1 914692894 ZXUYYIVWECEWBF-UHFFFAOYSA-N 486.984 5.943 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 915085206 IOWACNQFLWLNNB-HSZRJFAPSA-N 477.511 6.666 30 20 JKED COc1cc(C=NNCc2cccc3cccnc23)ccc1OCC(=O)Nc1ccccc1Cl 915962618 KMYLQZYSLPOOLW-UHFFFAOYSA-N 474.948 5.038 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(Cl)c1C 916206988 WEJXWKONULIMKY-NRFANRHFSA-N 490.025 5.044 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccc(F)cc2)C1=O 916215738 JNJKFOPYMPSJFF-HSZRJFAPSA-N 477.561 5.303 30 20 JKED CCOc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OC(F)F 916309185 BEETYTCUSDHLOC-UHFFFAOYSA-N 455.486 5.316 30 20 JKED N#CCCCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 916605691 JJLHTBPGMAAEKG-UHFFFAOYSA-N 468.962 5.196 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 916885528 YXEFQGDOAGOXEU-GOSISDBHSA-N 475.763 5.339 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1OC2 916901520 JWTDYYFFKJFYLQ-OAHLLOKOSA-N 452.919 5.239 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(Cl)cc4Cl)cc3)o2)c1 916928766 SYDFFRVYFZCTJQ-IBGZPJMESA-N 491.334 5.980 30 20 JKED COc1ccccc1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 916997190 SVEJUWFRKPPOMA-CZUORRHYSA-N 486.380 5.355 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997857 YZSNHBDXOLFQMK-BEFAXECRSA-N 499.423 6.237 30 20 JKED N#C[C@H](C(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)c1nc2cc(Cl)ccc2s1 917046883 NDCFLAXYDAUAHD-MIQLPHMESA-N 472.917 5.071 30 20 JKED N#C[C@@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc2cc(Cl)ccc2s1 917047071 QIFSQKXHAFIRGQ-INIZCTEOSA-N 474.394 6.058 30 20 JKED CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 917379116 NTHFOONDLYYYEU-XMMPIXPASA-N 456.546 5.354 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(C(F)(F)F)ccc12 917427628 ZQOYEUAYCPBVIR-NSHDSACASA-N 455.820 5.377 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc2cc(Cl)ccc2s1 917430850 VKUKYAHVWLBBJM-LBPRGKRZSA-N 494.848 6.316 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccc(C)n3)C2=O)c1 917677503 GKWRCHICKQZBSM-QHCPKHFHSA-N 476.577 5.306 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc2ccccc2c1 917700667 NKQRFACFMAFQER-QHCPKHFHSA-N 477.586 5.227 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 918034234 KWWFQIYUKJDJDF-OFNKIYASSA-N 473.964 5.273 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919514244 PDUGQLDIBVUYCG-INIZCTEOSA-N 489.553 5.116 30 20 JKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 920109575 RQIDMCUBMLNTOA-SFHVURJKSA-N 473.404 5.219 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c1 920357305 XGEITICHZYNRRO-JOCHJYFZSA-N 498.555 5.347 30 20 JKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cccc(OCc3ccccc3C#N)c2)cs1 920636445 YEGRPWLAIBCSCN-UHFFFAOYSA-N 483.549 5.635 30 20 JKED CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N=Cc2ccccc2O)cc1 920943279 UJECHBGQUMBTBH-UHFFFAOYSA-N 475.364 5.105 30 20 JKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(Cc2nc(O)c3ccccc3n2)C(C)C)cc1 1354398826 OSAQEVPTWMBEFV-UHFFFAOYSA-N 452.514 5.359 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cncn3-c3ccncc3)CCC2)cc1 1785840931 PMFRONTUTLMDLF-UHFFFAOYSA-N 457.578 5.007 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4C4CC4)cc3)CCC2)cc(C(F)(F)F)c1 1786056006 JPRWMFXEIGVQJL-VXKWHMMOSA-N 467.491 5.371 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4nc3C)CCC2)cc1 1786102965 FPRFJPUYYPUNIY-UHFFFAOYSA-N 454.574 5.454 30 20 JKED CC(C)N1CCC(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)CC1 1786667163 KPNPVWITVOYJJQ-OAQYLSRUSA-N 472.633 5.182 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(Br)cn3)cc2)CCC1 1786928741 RTXHHJUHWJSDMH-QFIPXVFZSA-N 482.422 5.289 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc4c[nH]nc4c3)cc2)CCC1)c1ccc(O)cc1 1788451987 XNLUKRVMPZQRKT-NRFANRHFSA-N 492.579 5.213 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)[nH]c2c(Cl)cccc12 1788501659 MPYNPRYXTAJNSR-WKULSOCRSA-N 488.975 5.590 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nc[nH]c5c4)cc3)CCC2)c(Cl)c1 1789278158 LISUFELZVLHVIP-UHFFFAOYSA-N 469.932 5.149 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc4nccn34)CCC2)cc1)c1ccccc1 1789600864 RZEKQBBGWXCYQI-VWLOTQADSA-N 476.580 5.279 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)cc1 1790521759 ZFKYOMYGQZCIKO-CLJLJLNGSA-N 497.570 5.186 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)CCC1 1790681330 QCWPVGZCQXPNJX-TWKHWXDSSA-N 484.600 5.137 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccnn45)cc3)CCC2)c1 1790848509 GHHOMHUGRKLNIM-IBGZPJMESA-N 463.541 5.023 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)on1 1792125434 ZLZDMDSCAHEMTD-SFHVURJKSA-N 456.546 5.487 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)C2 1792571361 SBILYWCKITUWRK-BJWYYQGGSA-N 453.410 5.003 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)oc1C)c1ccccc1 1795128674 WSIPUXSWBYBVML-KIHHCIJBSA-N 460.618 5.335 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1oc2ccccc2c1C)c1ccccc1 1797417965 LXDGIWORLUNCDE-STAYPELNSA-N 454.570 5.190 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)ccc1Br 1797875927 VPSUFIFWVCQPQF-QFHQZCAOSA-N 498.465 5.179 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@](C)(OC)c1cccc3ccccc13)C2 1798590943 HARYKDANQWLVAV-OJNHJINQSA-N 462.634 5.332 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2SCc2ccccc2)cc1 1799020182 NBGLGKHVMFPGKK-QEIWAGNOSA-N 496.636 5.006 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(Cl)cccc2Cl)c(Cl)c1 1799548996 GCHAILROIJXBMI-QDMKHBRRSA-N 462.764 5.084 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1F 1800410446 QVTDLOQLCLPEQZ-CLLJXQQHSA-N 492.391 5.330 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Br)c1 1800439199 CNIHSLQAKHFTSZ-XMTFNYHQSA-N 465.819 5.123 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CC1 1801522439 MIFHVVYVLXBSQG-NUNAXRQHSA-N 471.117 5.061 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803079875 QERIRBDQKFFIEM-SXOVMZTOSA-N 497.561 5.588 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1803091954 HEPRRTVOBWIYMU-FDDCHVKYSA-N 490.406 5.616 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)ccc2C(F)(F)F)C3)c1 1803682603 IYRDSPXIGHNASI-GAZPGATBSA-N 473.470 5.037 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(Oc5ccccc5)cc4)CC3)C2)cc1 1804945869 VDHXJDXYMBMFAG-UHFFFAOYSA-N 493.607 5.438 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)[C@H](F)c3ccccc3)C2)CC1)c1ccccc1 1806519798 GRDJSGIIHWNPED-CLJLJLNGSA-N 460.593 5.126 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc3ccccc3c2)[C@H]1c1cccnc1 1807891763 HPZYXYSGYSXKNH-VAVYLYDRSA-N 476.580 5.193 30 20 JKED Cc1csc(CCC(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810275121 SIMCBDWHQHZNPL-KCWPFWIISA-N 495.765 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1810494259 FVGVXIKBNDGARC-QPPBQGQZSA-N 487.566 5.341 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3occc3n2-c2ccccc2)[C@@H]1c1cccnc1 1811277335 ORORAARJPKOEQM-ZIHSNCGMSA-N 482.584 5.150 30 20 JKED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1811411379 ZGEYDTOPCQLULF-KCWPFWIISA-N 490.648 5.278 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811719265 WSVYBIGHWHEUJV-AJTFRIOCSA-N 487.625 5.113 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)c1 1811723083 WKOJXVUIFAEMJL-UZUQRXQVSA-N 490.585 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)[C@@H]2c2cccnc2)c1 1811936340 RFSCWJSDXWXNBR-HFZDXXHNSA-N 497.986 5.030 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1 1811999231 YBAKHWDJIWTWNL-GBXCKJPGSA-N 493.394 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1812074556 MGKCPTLBOSXQMO-SQJMNOBHSA-N 491.035 5.595 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@H]1c1cccnc1 1813052172 CMKAEMKLHFEAEV-AOMKIAJQSA-N 495.904 5.016 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1813226384 ODILZJBOPRRBMM-ATIYNZHBSA-N 482.024 5.035 30 20 JKED C[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1813232536 AMTFTPHEHJVAPK-RJRADHEHSA-N 489.736 5.017 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1814257634 KPHQSDZQXPXUCN-VGYZXHDSSA-N 482.628 5.359 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814739115 MDXFVYGCVCNOBN-YNZBZNKJSA-N 497.599 5.018 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815244834 AHKAEOPAKMPHMA-QPPBQGQZSA-N 478.618 5.462 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1815656092 GROYQTBLHQCXFX-SFHVURJKSA-N 454.621 5.158 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)cc1 1818595632 ISZJLZRHJPJQEI-FQEVSTJZSA-N 473.533 5.255 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819030690 MYJRIEULJFTGDD-DNVCBOLYSA-N 489.626 5.933 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1819305830 OYHMQAJSFCWIQP-LAUBAEHRSA-N 491.558 5.885 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)[nH]n1)c1ccccc1 1819516431 RZTSIAAMURITTO-IYISNHAYSA-N 481.600 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(-c3cnco3)c1)CC2 1820100811 PEONBZPJULLXPU-GOSISDBHSA-N 464.591 5.016 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434384 ASKHRNABOKHFGN-ZJSXRUAMSA-N 478.618 5.462 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1820640407 YIEDLMZQSXQDFG-IWGBCORSSA-N 492.601 5.005 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)cc1 1821273768 JBEBTWYBGPKVBR-XMMPIXPASA-N 473.552 5.092 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)[nH]n2)c(Cl)c1 1821274932 SSJHRAOZUDAUTG-XMMPIXPASA-N 498.974 5.032 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2c[nH]c3ccc(F)cc23)n[nH]1 1822257722 HISIZLYHHZKBNR-GBXCKJPGSA-N 477.584 5.423 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cccc4ncccc34)[nH]n2)c1 1823212022 QFWHYZAJSGQWIX-NIYFSFCBSA-N 492.583 5.134 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)C1 1823703385 XDAOKEDVXWPSOA-KXOMFBTKSA-N 471.439 5.048 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)CC3)c2O1 1823812748 PPUJYTVDFQLKFF-HHHXNRCGSA-N 499.655 5.138 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1C 1824053737 DGXQJODCGYCREJ-HHHXNRCGSA-N 487.644 5.050 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1824142265 KHUDBDYCXWQOLJ-VWLOTQADSA-N 469.576 5.448 30 20 JKED Cc1cc(C)c(NC(=O)OC(C)(C)C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC#N)CC2)c1 1826693635 VHAVZVZPXFCLGC-QHCPKHFHSA-N 496.652 5.188 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1828828502 LCRFKHATMANMGS-AHKZPQOWSA-N 471.645 5.750 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1829067444 KXUWWDIAPAJCHN-NRFANRHFSA-N 488.097 6.175 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2OC)CC1 1829072029 VDUUSXADLOBCFV-NRFANRHFSA-N 461.046 5.574 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)cc1 1829456379 BTOKBFPRILFTKE-QHCPKHFHSA-N 499.442 5.126 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1Cl 1829687950 NAROYSKYGDQILI-GOSISDBHSA-N 476.429 5.474 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829708250 XWQWLOGUVWQIJT-NDEPHWFRSA-N 492.635 5.709 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 1829950550 JUSBYSOAVWCARL-UQBPGWFLSA-N 464.009 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829998893 QOCGARHNUFGIQU-XZOQPEGZSA-N 462.556 5.707 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F 1830053783 AMSIXHGDCMFYDF-SFHVURJKSA-N 462.434 5.057 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830556827 SUFWBVINKYARFR-DEOSSOPVSA-N 467.972 5.206 30 20 JKED CC(C)c1nn2ccccc2c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830628141 FYRDHHSNNNMMRM-VWLOTQADSA-N 497.643 5.071 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830632100 YEDGQPUCGBVYTK-AREMUKBSSA-N 489.685 5.395 30 20 JKED C[C@@H]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755903 OKAQIDWLABXLBB-MQNAVGNWSA-N 475.555 5.247 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3O)CC2)c1 1830955078 QXYPPGPHMKQXMS-CLOONOSVSA-N 485.584 5.313 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C/N=C/c4ccco4)CC3)sc2c1 1830979036 OHFAPVSFSAKMHE-TUJXVDMFSA-N 477.630 5.155 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1831201939 DRDRBJDVGIFYCW-FRMLODSESA-N 485.628 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)CC2)c1 1831510781 QHVNQLMIZZXMMT-MVOZIGHISA-N 471.645 5.741 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)S)CC2)cc1 1831846052 VFRRLKWCQCTEEM-NBGIEHNGSA-N 450.648 5.214 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 1832030593 ULWWNORJTYOAAH-JOCHJYFZSA-N 493.873 5.529 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1 1832630116 ZLQBIFNIYKWFSX-AFMDSPMNSA-N 496.026 5.582 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)c1 1832633412 HRMQXCPZJNJAIM-OUANZESLSA-N 469.629 5.351 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccoc4cn3)CC2)c1 1832634396 QZJMIZFILNPOSK-UQBPGWFLSA-N 470.573 5.002 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)c1 1841260417 NHNUFMLHZJGNNG-UHFFFAOYSA-N 494.620 5.218 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C1 1844697109 JVDFXYOWMYYLOG-UHFFFAOYSA-N 460.899 5.307 30 20 JKED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)cc1 1845280550 LTLHLMGTMLPKOL-AREMUKBSSA-N 485.534 5.081 30 20 JKED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc([C@H](F)c4cccc(F)c4)c2)C3)cc1 1845412678 LVLNGLWYVVJYSG-SANMLTNESA-N 485.534 5.081 30 20 JKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1SCCCC#N 8753066 ANLSLGHAWRUDPG-UHFFFAOYSA-N 456.571 5.918 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c1C 10167988 OBMBRBMXIQBQBN-UHFFFAOYSA-O 453.578 6.218 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2scc(-c3cccs3)c2c1=O 11382573 AJHNXXOYOKKUNU-AWEZNQCLSA-N 485.631 5.481 30 20 JKED C[C@@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc(C#N)c1 12272214 PZHUPRLUSGRYNQ-CYBMUJFWSA-N 458.301 5.023 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16731889 YBNSAJRVNZLCBC-ZDUSSCGKSA-N 472.039 5.457 30 20 JKED C=CCn1c(SCc2nc3ccccc3c3ccccc23)nnc1[C@H]1COc2ccccc2O1 20050610 QBTVQXNWJHLLEB-RUZDIDTESA-N 466.566 5.970 30 20 JKED CCOc1ccc(-n2c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccccc2Cl)cc1 21124616 QKFXHEBACWHQIA-XMMPIXPASA-N 484.025 5.133 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(F)cc1 22033721 FJZJWDDXTPZNHD-LBPRGKRZSA-N 451.354 5.696 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1-c1ccc(Cl)cc1 22619489 WCVJHMVIYYZIMF-ZDUSSCGKSA-N 458.012 5.553 30 20 JKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 22938921 TTWJDEYLGCUOOU-NRFANRHFSA-N 499.636 5.036 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(CCc1ccccc1)c1nc2ccccc2s1 302593301 NTJQNRZSIYLGES-UHFFFAOYSA-N 456.571 5.094 30 20 JKED COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1)CC2 480410764 VINDMSRIWQGTII-LJQANCHMSA-N 470.573 5.016 30 20 JKED N#Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccc1OCC(F)(F)F 481947775 SLBNNMGYHUYCBC-QGZVFWFLSA-N 486.277 5.049 30 20 JKED COc1ccccc1OCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 488016354 WYUGODIMQZSRLN-UHFFFAOYSA-N 470.500 5.721 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(OC4CCCC4)nc3)c2)cc1 499802560 RALVLGULIUELNY-UHFFFAOYSA-N 456.546 5.370 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 500545180 PZEOPBZWXKFSOP-UHFFFAOYSA-N 471.944 5.311 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 501218257 PMDQFUIYDRCDHC-UHFFFAOYSA-N 456.498 5.449 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(OC)cc1 501227822 LKBPBFBAMPXWKY-AWEZNQCLSA-N 453.955 5.696 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)n2)cc1 503539804 DEKWOCJHQOIADF-INIZCTEOSA-N 461.524 5.161 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3CN3C(=O)Cc4ccccc43)n2)cc1 503584411 FOXLOCRUGCWNRH-FQEVSTJZSA-N 453.523 5.291 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2c[nH]c3ccccc23)c1OC 503676235 GJYUOVWRINEEFA-DEOSSOPVSA-N 482.584 5.940 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 508358150 LBCQTMDXTHWKJY-QHCPKHFHSA-N 455.949 5.221 30 20 JKED N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2I)sc2c1CCCCCC2 508964428 ZHPFUAKRBGVPDG-UHFFFAOYSA-N 481.315 5.044 30 20 JKED Cc1cc(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)nc(C(C)C)n1 510007344 UURGIUGCIHQFOT-QHCPKHFHSA-N 489.023 5.571 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 510250386 DDKAAAUZSGKBBG-UHFFFAOYSA-N 478.346 5.533 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1F 510283261 SZGXIZBUMYJQNA-UHFFFAOYSA-N 473.508 5.038 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cccnc1Oc1ccc(F)cc1Br 512855135 FWLXGYSMXHHDOU-UHFFFAOYSA-N 456.271 5.298 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1NC(=O)c1ccc(Br)cc1 513671551 KIMBQSMYRDDFOF-SFHVURJKSA-N 490.382 6.110 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 514558988 OUVKXYGUSQSXDT-ROUUACIJSA-N 483.996 5.421 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)ccc1OCc1cscn1 515449493 XMYYKISTXGJQMN-UHFFFAOYSA-N 453.589 5.575 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)c2)c1 515475524 FQNYGGFRGNDOKT-FQEVSTJZSA-N 481.581 5.832 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 517180263 ZVZUWWYAUZXHCW-XMMPIXPASA-N 476.536 5.174 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 518654520 DXJMVSWIPWGZBH-KRWDZBQOSA-N 479.675 5.905 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1)c1ccc(C#N)cc1 518674841 OVGXNTKAFQNHJM-CQSZACIVSA-N 498.764 5.582 30 20 JKED COc1cc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc(Br)c1OC 518777836 ZQRXIDATGJAIQL-UHFFFAOYSA-N 467.363 5.207 30 20 JKED CC[C@@]1(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)CCC(=O)NC1=O 518811110 RQMYNWUKAKCCIL-NDEPHWFRSA-N 483.593 5.187 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 519084437 AUTMFFHBNNQXBV-LLVKDONJSA-N 487.031 5.913 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 520842463 WHXKBIJDZYNLBZ-QFIPXVFZSA-N 494.414 5.299 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 522711980 CKDAMQMOAFLXTR-UHFFFAOYSA-N 465.600 5.019 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1cccc2c1OCCO2 524304566 CDVOQBYCVQTOFT-DEOSSOPVSA-N 455.514 5.799 30 20 JKED CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524405983 YSBVAHPQKANDPM-UHFFFAOYSA-N 462.937 5.573 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(Br)cc1 549409847 ZNZHZQOXBQYAHF-OAHLLOKOSA-N 470.277 5.178 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 588739336 MTKAQFKRPNMYSD-INIZCTEOSA-N 450.354 5.459 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC)nc2)nnc1-c1ccc(Cl)cc1Cl 589069750 RCWATSWVTRVIPZ-UHFFFAOYSA-N 466.419 5.286 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)cc1OC 590290872 KWINAXYUKYONSF-UHFFFAOYSA-N 470.525 5.648 30 20 JKED Cc1cc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)n2c(nc3ccccc32)c1C#N 603552890 IPQMRWMZDMXXNJ-INIZCTEOSA-N 475.478 5.113 30 20 JKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)cn2)cc1 603987958 TYKPSTWSKWOUOJ-UHFFFAOYSA-N 453.829 5.219 30 20 JKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1-c1cccc(C(F)(F)F)c1 603995999 YTTKDUHZFUKAPN-UHFFFAOYSA-N 489.457 5.576 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1C 604103079 RZRBPBKVQDELPL-UHFFFAOYSA-N 469.570 5.587 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c(C#N)c(C)c1C 604119711 MEMABASNERTNNF-UHFFFAOYSA-N 454.939 5.108 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCNC(=O)c3cc(F)ccc3Br)cc2)cc1 604457545 RIWLMANUYWHMFM-UHFFFAOYSA-N 482.309 5.011 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 608812019 COQABSHNVJSGHL-SANMLTNESA-N 486.568 5.319 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1C 608872920 VAOBWGFUZAEDEG-VWLOTQADSA-N 483.568 5.021 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2cc(F)ccc2Oc2ccccc2)CC1 609049687 SCCPAVVYPRAIKD-UHFFFAOYSA-N 473.464 5.092 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 609078715 KBEADIUGQTYQLH-UHFFFAOYSA-N 498.583 5.337 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 609078981 GDNRLUXIPSGMMS-ROUUACIJSA-N 499.455 6.477 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)c(Cl)c1 609438161 DPHOXYMAUCQKNI-KDOFPFPSSA-N 464.418 5.984 30 20 JKED Cc1cccn2cc(COc3ccccc3C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)nc12 613407036 DRSJBAJPSLUSIY-LJQANCHMSA-N 472.957 5.975 30 20 JKED C=CCn1c(SCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)nnc1-c1ccoc1C 613908649 WSNVNHXTACCVNN-QHCPKHFHSA-N 497.624 5.554 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccccc1OC(F)F 616003552 AOAXBAPUIFVFMB-UHFFFAOYSA-N 459.289 5.423 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)c1cn(CCC#N)c3ccccc13)CC2 673807885 OEIKFSCJNJKGKU-PMERELPUSA-N 479.580 5.403 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(C)C)c1 726392923 LGSOFWPTHONSLD-UUOWRZLLSA-N 495.645 5.398 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)Cc1ccco1)c1cccs1 726418702 FCNSGWIXJHSYFW-LIXCXBOPSA-N 485.606 5.501 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(C3CC3)C2=O)cc1 726420936 KEYBEVZDHCQCCF-QGBHTJAESA-N 457.621 5.089 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(OC(F)F)cc2)cs1 726430356 YMPGJCHJIQXHGC-UHFFFAOYSA-N 470.423 5.894 30 20 JKED CCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2sc3ccccc3c2C)cc1 726570213 XVWKKQRHWQSAEO-UHFFFAOYSA-O 474.631 5.566 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1csc(-c2cc(Br)cs2)n1 726755904 MLUVDJOKIHSSDV-UHFFFAOYSA-N 469.389 5.383 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccco2)cc1Cl 726889504 FPSWGXLNWMDMKW-NRFANRHFSA-N 483.977 5.411 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C\c2ccccc2Br)cc1 727358373 WFYQCYBTIOTEGA-PEZBUJJGSA-N 483.387 5.507 30 20 JKED CC[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(Br)c1 727966414 YJEYQMRHOIGOSO-LJQANCHMSA-N 484.350 5.480 30 20 JKED Cc1sc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C(N)=O)c1-c1ccccc1 727987307 UVMWFTASFRMZDG-UHFFFAOYSA-N 457.511 5.118 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1OC 728006092 RGFHAWLAUYGUFU-RVDMUPIBSA-N 460.505 5.232 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 728123793 JGOFJZJZBRSLQR-UHFFFAOYSA-N 474.527 5.636 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 728423104 PDFPDSVIKCVGEJ-AOMKIAJQSA-N 489.988 5.328 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1cccc(Cl)c1 728777011 HZWIRAPHHXRCBF-IBGZPJMESA-N 493.391 5.787 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)cc1 728779470 IDDOTEJEBHKHEK-OAQYLSRUSA-N 452.555 5.042 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc2c(c1)CCC2 728779578 JWNPUJUYQQPDAB-QFIPXVFZSA-N 481.021 5.483 30 20 JKED COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 729039168 KSTGWDPRXJFHID-OAHLLOKOSA-N 451.910 5.388 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729141515 AVCZVFVXIUXHJH-OAQYLSRUSA-N 494.642 5.237 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3scnc3C)C2=O)c1 729144478 CRGJHIOVDYZZAM-NRFANRHFSA-N 489.626 5.101 30 20 JKED COc1ccc(/C=C2/N=C(SCc3ccc(OCC#N)cc3)N(c3cccc(OC)c3)C2=O)cc1 729242607 WYHSXPSUEDWHHO-PCLIKHOPSA-N 485.565 5.283 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 729635059 ZXLJQAUWXGKXQB-NRFANRHFSA-N 482.968 5.343 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 729878923 FYUUBJALSAZAEZ-CLJLJLNGSA-N 471.988 5.982 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(C3CCC3)C2=O)c(OC)c1 730458968 DEYHQWARZRGEIM-HSZRJFAPSA-N 481.618 5.340 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc3cc(Cl)ccc3s1)O[C@H](C)C2 730689722 KIVFLYFCBUDLLE-VFAJRCTISA-N 452.963 5.652 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1 730712360 GEMCWPJDHNXJCB-OAQYLSRUSA-N 482.993 5.414 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N([C@@H](C)c2cccnc2)C1=O 730944688 YZULZGJLXGMWGM-YADARESESA-N 488.613 5.429 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 731066285 UYIOUFXBZLREHP-AWEZNQCLSA-N 471.629 5.299 30 20 JKED CC(C)c1ccccc1-n1c(=O)c2ccccc2n2c(SCc3ccc(OCC#N)cc3)nnc12 731156172 MFCFHHUTQKVZTJ-UHFFFAOYSA-N 481.581 5.351 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(Cl)c2)c1 731307965 KEHWFTIBHFBZGA-QFIPXVFZSA-N 495.988 5.215 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 731332293 IHFXBFJRVGCWKQ-HNNXBMFYSA-N 466.028 5.017 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cs1)c1ccc(F)cc1F 746006432 BTTCXMYWKAKJTJ-CLFYSBASSA-N 494.475 5.960 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc([C@@H](C)N(C)C)n(-c2ccc(F)cc2)c1=S 746056121 UOXOZZCHTZYIHQ-LJQANCHMSA-N 466.630 5.152 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCCOC2CCCC2)C1=O)Nc1ccccc1F 747044748 XXYNLTGXIFLYST-JOCHJYFZSA-N 487.572 5.274 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)c1 799212409 HTOWZXHSQFSHMC-QGZVFWFLSA-N 485.915 5.180 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(F)(F)F)c1 799215140 LDBWQVPYTURHRS-FQEVSTJZSA-N 471.504 5.671 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC(F)F)cc1 799217912 XWSXSDXNLQLLES-NRFANRHFSA-N 479.508 5.035 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1cccnc1 837285880 ZLIDWLBZUAMTSN-VGSWGCGISA-N 494.567 5.698 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3ccccn3)C2=O)c1 837712823 DBRDCMPTVGRFDJ-OPAMFIHVSA-N 495.004 5.465 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)c3ccccn3)C2=O)c1 838592679 TWMWDHHJZUEPMU-HXOBKFHXSA-N 494.567 5.698 30 20 JKED C=C(Cl)CSc1nc(C)c(Cc2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)s1 856568823 QUADIQIYUNCCSS-INIZCTEOSA-N 467.060 5.166 30 20 JKED Cc1ccc(S(=O)(=O)c2ccc(NN=Cc3sc4nc(C)nc(C)c4c3C)cc2)cc1 874067306 LOSODVPCPONEPY-UHFFFAOYSA-N 450.589 5.204 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1 904420046 ZBULJIAIOHAVPU-CQSZACIVSA-N 456.971 5.072 30 20 JKED N#CCCN(C(=O)CCc1nc(-c2ccccc2OCc2ccccc2)no1)c1ccccc1 904463019 HDBMODQFYOUSJO-UHFFFAOYSA-N 452.514 5.195 30 20 JKED C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904670160 XCGOCLQDIWKRST-RDJZCZTQSA-N 451.832 6.045 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 912828519 VTBPLEURLGBNBB-UHFFFAOYSA-N 484.585 5.139 30 20 JKED C=CCn1c(SCC(=O)Oc2ccc(Oc3ccccn3)cc2)nnc1-c1ccc(Cl)cc1 914451048 KISRIDBBIMFSAX-UHFFFAOYSA-N 478.961 5.670 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1cc(Cl)ccc1OCc1cccnc1 914695311 OWCPZNXRDFAHOY-UHFFFAOYSA-N 495.992 5.054 30 20 JKED COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)ccc1OCC#N 916151688 QXORYMPGNRVSJL-NTUHNPAUSA-N 488.341 5.230 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)cc1 916213007 WHCJMYBUVDUNSC-FQEVSTJZSA-N 498.402 5.511 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCc3ccccn3)C2=O)c1 916215770 KCMKAIFNJHPOLL-VWLOTQADSA-N 486.641 5.518 30 20 JKED Sc1nnc([C@H]2COc3ccccc3O2)n1N=Cc1c(-c2ccccc2)[nH]c2ccccc12 916615267 PSUUDEQFLKAUCP-JOCHJYFZSA-N 453.527 5.110 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(COc2ccc(F)cc2)o1 916883897 QHRSKHOHOUMJRF-GOSISDBHSA-N 460.433 5.274 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(SCc2ccccc2)cc1 916888621 XCVJXYFHAJNAHT-NRFANRHFSA-N 468.550 6.255 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CSc1cc(C)c(Br)cc1C 916901805 QXWFTGYVTJOQGX-CQSZACIVSA-N 495.826 5.476 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 916902211 WBCZAZOZIQZOKS-OAHLLOKOSA-N 499.976 5.067 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916919607 YJQXCMQKZUDODP-AZGAKELHSA-N 460.489 5.255 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2OC)cc1 916929379 JNPGGTWHDBMZGN-JOCHJYFZSA-N 467.525 5.132 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1Cl 916939559 IANPCCOYMVJSSJ-FQEVSTJZSA-N 490.972 5.250 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)n2)cc1 916974010 CTDLBPGSJUUDCW-QFIPXVFZSA-N 459.571 5.344 30 20 JKED CCOC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996041 JISRISHYJNSBOB-INIZCTEOSA-N 460.342 6.175 30 20 JKED N#C[C@@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 917039850 FVPVLFVVHJOZFM-CVDCTZTESA-N 481.955 6.784 30 20 JKED N#C[C@H](C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3)c1nc2ccccc2n1C(F)F 917039939 HURDRBPZOQNXMF-CYBMUJFWSA-N 499.568 5.130 30 20 JKED Cc1nc2sccc2c(=O)n1N=Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 917581124 NPDAYGKPIZASQG-UHFFFAOYSA-N 459.962 5.214 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccsc2)c1 917669510 RLUOYLUZXBBOBC-FQEVSTJZSA-N 471.554 5.495 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2F)cc1 917696948 QOJJUBYHFSKDOL-QFIPXVFZSA-N 494.498 5.136 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2ccccc2c1 917700637 MQYGSTRGEJJJBH-XMMPIXPASA-N 475.614 5.453 30 20 JKED C[C@@H](OC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)C(=O)N(CCC#N)c1ccccc1 919419144 QKTDJFXCQMLKAH-QGZVFWFLSA-N 494.345 5.129 30 20 JKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 919653208 NSIMTZQOXUKWST-UHFFFAOYSA-N 467.529 5.639 30 20 JKED CCCOc1ccc2c(c1)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CO2 920068877 DSSWLVSQZPACHI-LFIBNONCSA-N 452.507 5.414 30 20 JKED CC(C)[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1nnc(-c2ccccc2)n1 920113571 YCUGJKJSANYBSD-CRAIPNDOSA-N 470.480 5.042 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)n1 920326970 GUPRSBKRWUATHH-DOMZBBRYSA-N 475.979 5.126 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c1 920357794 WGEXCRSXDMSVHA-QFIPXVFZSA-N 480.565 5.153 30 20 JKED CN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)c1cccc(C#N)c1 920748568 ARJAGHBRADTKFA-UHFFFAOYSA-N 494.787 5.596 30 20 JKED C[C@H](Sc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 1640927228 YDEIBCKHDOFESU-NSHDSACASA-N 458.996 5.310 30 20 JKED COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCN1C1CCCCC1 1729989379 UGBZKJUYTMMRAN-NQIIRXRSSA-N 471.049 5.000 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4OCC4CC4)cc3)CCC2)c1 1787141582 ZPLYAHSLJUZMLG-HXUWFJFHSA-N 494.595 5.559 30 20 JKED CC[C@H](C)[C@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)NCCC#N)CCC2)cc1)c1ccccc1 1787716032 MYENBIJMMXULEA-OFVILXPXSA-N 474.649 5.232 30 20 JKED COc1cccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)c1 1788358149 RQCXNQINIOFMFV-UHFFFAOYSA-N 480.568 5.199 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)c(C(F)(F)F)c1 1788727035 FKTSOHTWJCDSHY-UHFFFAOYSA-N 472.511 5.529 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc(C)n1 1788839965 ZVNGTBRDBZNNCI-UHFFFAOYSA-N 452.558 5.080 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(N4CCOCC4)c3)CCC2)cc1 1789457888 DPPWYVFBYGHYLN-SANMLTNESA-N 473.617 5.039 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Nc3cccnc3)CCC2)cc1)c1ccccc1 1789601965 GGTSZGLAFAEFKJ-WXVAWEFUSA-N 480.612 5.213 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4nc3Cl)cc2)CCC1 1790041897 FKFRLZOSZCWERU-UHFFFAOYSA-N 468.891 5.218 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5sccc5c4O)cc3)CCC2)cc1 1790933502 DBBIEOZMUPLLCR-UHFFFAOYSA-N 481.577 5.734 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)cc2)CCC1 1791452097 WVAPQGYXAOMRSI-SIKLNZKXSA-N 469.626 5.122 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(-c5nccs5)noc4c3)CCC2)cc1 1791587932 VPNQQUTVLUXCFR-UHFFFAOYSA-N 458.543 5.275 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791729043 OAWVFBWGFFHPDI-XMMPIXPASA-N 495.664 5.494 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(CNC(=O)OCc4ccccc4)cc3)cc2)CCC1 1792191613 KFIQLIVOZLYMJS-UHFFFAOYSA-N 497.595 5.437 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc([C@H](C)C(F)(F)F)cc1)C2 1793055074 SQPCHPUQNXSDOU-QMZRJTEUSA-N 462.556 5.302 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(NC(=O)c3ccccc3)cc1)C2 1798591833 LHJFFELOSWIZIT-QEIWAGNOSA-N 473.617 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Br)cc3)CC1)C2 1798592844 LNTDHZBBKPBDOT-WKCHPHFGSA-N 473.455 5.111 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 1800691103 OYQHKYQNQBFTHY-OOICKAIWSA-N 484.427 5.557 30 20 JKED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800810976 KJGDPCTZFZHLHO-KOUNCHBCSA-N 467.569 5.434 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(C)s2)[C@H]1c1cccnc1 1802502181 XRKDHIPCOJFNCQ-AOERKCTMSA-N 451.636 5.163 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1802503474 PEFCSPWILBBQQG-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1803082670 WXDCMYNOULMUFG-KNQAVFIVSA-N 480.659 5.149 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCCC2(F)F)[C@H]1c1cccnc1)c1ccccc1 1803731693 ACHOTZWXUIZMMJ-KEVKATSASA-N 493.598 5.110 30 20 JKED CC[C@@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)c(C#N)c1)c1ccccc1 1803840840 HPSINGPDJPGXED-HLSNPBEDSA-N 487.644 5.427 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)cc2C(F)(F)F)c1 1803893914 WLJVKKGCNXNUTM-REPLKXPHSA-N 475.898 5.105 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)C2)CC1 1805610942 LWPSPEZEXDYWLH-XZOQPEGZSA-N 496.985 5.005 30 20 JKED N#CCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)[C@@H]1c1cccnc1 1806286093 ZPEHMBUSQCZJHN-RNWIMVQKSA-N 490.563 5.260 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)C2)CC1 1806754868 PPZMRXZFXMWYAI-QFIPXVFZSA-N 491.717 5.294 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1808864643 XQHUYUFRMGAFDH-WSOLHVCVSA-N 498.627 5.178 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1810500917 ZZKCRXZUIXICNS-CJFMBICVSA-N 491.035 5.595 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2OC)[C@H]1c1cccnc1 1810503108 NJOXHQCPDDZOMT-UGKGYDQZSA-N 470.013 5.056 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811439626 UXDDROSRZZOGLO-HRNNMHKYSA-N 491.632 5.162 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811540030 YCSMUKQTCYTMIG-PDDLMNHVSA-N 479.624 5.570 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813972026 AWVFRPLSDYJXGD-HTZUNMPGSA-N 464.368 5.059 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1814105672 HEBLDXXNEZQDIR-KDYSTLNUSA-N 482.609 5.024 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1814830112 PKKRKDZYBNSNKS-JOCHJYFZSA-N 487.629 5.951 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1)c1ccccc1 1815568695 CXYAOVHZYSXMLV-FPOVZHCZSA-N 474.527 5.332 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3)n[nH]2)cc(C(F)(F)F)c1 1816793518 HVHUFOSHVYUYPQ-JOCHJYFZSA-N 495.505 5.239 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4ncccc4c3)n[nH]2)c(Cl)c1 1818478225 QNSYFOVTSOZAEG-HSZRJFAPSA-N 484.947 5.103 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3oc4ccccc4c3C)n[nH]2)c1 1818569618 AOWWKHTXRMGWHG-QFIPXVFZSA-N 467.529 5.264 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)n[nH]2)c1Cl 1818993478 NCEVVRIRIPJRMH-OAQYLSRUSA-N 490.926 5.175 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1819311065 JWDXPIZFQAXBET-GMAHTHKFSA-N 475.593 5.143 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)C)no2)n[nH]1)c1ccccc1 1820332410 ZJJLHHKUKRXPDW-NFBKMPQASA-N 473.577 5.024 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3cccnc3)cc2)n[nH]1 1821003877 QAPDCRQRAYWALZ-ZCYQVOJMSA-N 469.589 5.546 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 1821137115 MLNMYOLKBHIIQB-SANMLTNESA-N 496.615 5.086 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(F)c(OCC)c2F)n[nH]1 1821297113 JFUDTFOXCJMHPW-HNAYVOBHSA-N 490.526 5.300 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2OC)n[nH]1 1821792490 NQUBWAOOSUTOJO-FQEVSTJZSA-N 473.017 5.299 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[nH]n1 1822582023 WVJRXEZORMJPMF-RUZDIDTESA-N 494.599 5.453 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(-c4cccnc4)cc3)sc2C1 1823151403 TXJFTKYLEXIZCK-YADHBBJMSA-N 472.614 5.199 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@](C)(OC)c3cccc4ccccc34)CC2)C1 1823701791 OMLRSBIEFWOSJG-POURPWNDSA-N 474.645 5.287 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4Br)CC3)CC2)C1 1823701872 QGNGQPSPPJLCFN-QHCPKHFHSA-N 485.466 5.067 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1823885438 WWLMAZRJSYWAJJ-VWLOTQADSA-N 483.616 5.013 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1823885777 HKSOPSBQMSHNQB-QHCPKHFHSA-N 496.449 5.385 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1824240270 FSGCOOMBWYDKTC-FSJHIGLHSA-N 492.685 5.547 30 20 JKED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824247611 XSVMJSGQOWZCES-WHRAWCJQSA-N 499.095 5.272 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2coc(C(C)C)n2)CC1)c1ccccc1 1825419123 MYOPRXGFOBXSBN-AZGAKELHSA-N 475.633 5.229 30 20 JKED Cc1noc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1825862151 VUJOZFFKMPTYJV-MUUNZHRXSA-N 495.623 5.238 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(Oc3ccc(Cl)cn3)cc1)CC2 1826036634 LCEXYSIXJCUBJK-GOSISDBHSA-N 495.004 5.013 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1826510078 JUJIXPJNDDDCCD-RUZDIDTESA-N 497.561 5.247 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNc2ccccc2C)CC1)c1ccccc1 1827007292 ZYONVYUOHRICQM-YTMVLYRLSA-N 485.672 5.224 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827683796 KQNMEGJVHZLVQQ-CQQBXOTJSA-N 486.584 5.007 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827713155 ATCGNTFJIBSVAQ-RUZDIDTESA-N 475.633 5.652 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828510214 QRDLVVCNTINPEI-HSZRJFAPSA-N 473.539 5.224 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccc(Br)c4[nH]3)CC2)C1 1828657037 VUUUBMOGSBKZAB-QFIPXVFZSA-N 484.438 5.130 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)cc(OC)c2F)CC1 1829656056 ZFZWSJUZIMCBHN-QFIPXVFZSA-N 474.617 5.069 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1829701023 DFNOJEMYXQPQBR-XMMPIXPASA-N 475.976 5.505 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)c1 1829954751 NCRDLCJPRWTCNC-RUZDIDTESA-N 487.003 5.307 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F 1829997313 ASTZUOFMUFQKDV-GOSISDBHSA-N 462.434 5.057 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830536571 KQZHFNAJIBDIBL-NRFANRHFSA-N 466.931 5.006 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)CC1 1830557882 ZANOYUBCPYUBFE-OAQYLSRUSA-N 479.846 5.139 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1830680008 YRDAXWWYFNVKOF-SANMLTNESA-N 494.676 5.486 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)c(Cl)c1 1830721981 WZGMUXPFXYQADX-ZJSXRUAMSA-N 495.973 5.363 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)Oc1ccccc1 1831232794 YEYROAVJZOAQOE-CPJSRVTESA-N 494.035 5.303 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1)C(F)(F)F 1831453885 PXECMNJCJDUTKG-SFHVURJKSA-N 495.523 5.161 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)cc1 1831750357 ACUDIYXHQWABEA-KCWPFWIISA-N 483.697 5.382 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831842378 KTARAKURJPFIRC-GBXCKJPGSA-N 475.658 5.158 30 20 JKED CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832633077 BUFWHCRFKNYOEN-KDYSTLNUSA-N 457.618 5.423 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832714743 KJZNVHDIAVUWOX-QVKFZJNVSA-N 486.415 5.167 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Cl)CC2)CC1)c1ccccc1 1838416637 FNOWMNOGRIEMGZ-VWLOTQADSA-N 493.047 5.149 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C)C2 1841058316 YKXDOWHGJYSIPM-UHFFFAOYSA-N 469.626 5.151 30 20 JKED O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)C1)c1cccs1 1841408886 ISHQAIWTBCHFGC-OUKQBFOZSA-N 497.060 5.318 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)cc1 11114046 CZAFYKLAWGILCV-UHFFFAOYSA-O 457.591 6.463 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2ccccc2)cc1 11197044 KBAZKQZYCFIEPY-HXUWFJFHSA-N 483.597 5.370 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)cc1 11252195 YASCMNIKCSKVJY-UHFFFAOYSA-O 487.645 5.697 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2scc(-c3cccs3)c2c1=O 11382690 WRTPAWSYZXSAQL-UHFFFAOYSA-N 483.640 5.420 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccc(C)cc2)nnc1-c1ccccc1OC 11451520 NEYIJKCJCUECME-UHFFFAOYSA-N 486.597 5.971 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccccc2)c(Cl)c1 15248232 YHRHOUUODJKAGW-UHFFFAOYSA-O 474.831 6.058 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 16210559 YFQCLQSPTSRUPM-UHFFFAOYSA-N 469.541 5.115 30 20 JKED C[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccc(Cl)cc1)N(C)C 16920072 JPVOPRQFFZPDSM-UONOGXRCSA-N 489.432 5.188 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2cccc(C)c2)cc1 20067926 AGDAWIXZWJPTDM-UHFFFAOYSA-N 453.571 5.348 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nc2sc(-c3ccccc3)c(C)c2c1=O 26176793 RYXWPTBCGUBITJ-QGZVFWFLSA-N 492.651 5.353 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccccc1 26196018 WDOXWXAMNRWOQO-DEOSSOPVSA-N 469.497 5.186 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CSc1nnc(-c2cccs2)n1CC 303140131 UEFIDEDREMTGFD-UHFFFAOYSA-N 495.443 5.235 30 20 JKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCc1ccc(F)cc1C(F)(F)F 409798902 YVODRXWKKUWVAW-UHFFFAOYSA-N 450.379 5.722 30 20 JKED C=CCOc1ccccc1CN(C(=O)c1cc2c(s1)CCOC2)c1ccc2c(c1)OCCO2 481897461 DYJFSDYFABIOBK-UHFFFAOYSA-N 463.555 5.004 30 20 JKED Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482633693 JUNZTQWSUPEKCS-UHFFFAOYSA-N 463.541 5.896 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(C(C)C)cc3)no2)nnc1[C@H]1COc2ccccc2O1 494024516 YOMOXMARULREGS-OAQYLSRUSA-N 475.574 5.442 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)nnc1-c1ccc(Cl)cc1 498366242 VQORXGZYSUJPEK-IBGZPJMESA-N 489.066 5.146 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 499486552 UHGNRYGIJPWXMJ-UHFFFAOYSA-N 481.606 5.407 30 20 JKED O=C(Nc1ccc(Cl)c(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503176578 AIVYOIXEGCCXIV-UHFFFAOYSA-N 487.162 6.003 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 508159684 QMGHOOSSVLZJCW-UHFFFAOYSA-N 471.605 5.439 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 510240459 KEMZQUWAGFEVKN-UHFFFAOYSA-N 460.490 5.579 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 511152036 AIRIMYGTHAMABY-UHFFFAOYSA-N 484.400 5.875 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 511912445 TUZWZCLFNNWGOE-DEOSSOPVSA-N 492.000 5.253 30 20 JKED O=C(c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCC(Nc2ccc(F)cc2)CC1 512139619 MDFFHJKEBFTVDQ-UHFFFAOYSA-N 494.407 5.425 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 515746595 QJKXJELNHTXFOX-DEOSSOPVSA-N 468.582 5.143 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)cc1 515923482 NWXXWTVZUBZFBU-DEOSSOPVSA-N 459.933 5.518 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517461050 MIPIKKZEYPWTTN-UHFFFAOYSA-N 479.524 6.458 30 20 JKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@@H](C)C#N)cc1OC 519443987 UBYDAFGEVFRYTE-OFBHVFLISA-N 455.558 5.361 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 520597976 MMPNJWIAIBFPEG-UHFFFAOYSA-N 470.529 5.242 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OC(F)F 521810593 VMVJDYPASHTJKW-UHFFFAOYSA-N 453.445 5.624 30 20 JKED CCC[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 524099066 PQDAXODIHCFOMO-JOCHJYFZSA-N 457.599 5.430 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCc3cccc(COCc4ccccc4)c3)o2)cc1 524382424 AGWDOYMDUGHNIU-UHFFFAOYSA-N 452.510 5.377 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc(OC)c1OC 524439976 RSWHKNGRTSILIK-UHFFFAOYSA-N 477.536 5.074 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc2Cl)cc1 550727716 UEJYVUHIAVKMOQ-HSZRJFAPSA-N 469.875 5.888 30 20 JKED Cc1nn(Cc2ccc(C(=O)N(Cc3ccccc3)c3ccccc3C#N)cc2)c(C)c1[N+](=O)[O-] 579148813 IJKWJMKIKMYRLR-UHFFFAOYSA-N 465.513 5.175 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(CCc1ccccn1)Cc1ccc(F)cc1 588969618 ANVGNGDAIBRJHX-IRXDYDNUSA-N 491.451 5.885 30 20 JKED O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1cccc(C#Cc2cccs2)c1 592998564 VKVLWUBRUOOFNT-OAQYLSRUSA-N 498.391 5.298 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)Nc1sc2c(c1C#N)CCC2 597566075 ZXKBCHUXAJGITC-OAHLLOKOSA-N 475.599 5.128 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1 598541439 DYNWUZMBQHYQLN-UHFFFAOYSA-N 485.487 5.211 30 20 JKED Cc1sc(NC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)c(C#N)c1C 603445764 YYGSRDGFBHNGKL-UHFFFAOYSA-N 450.614 6.262 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2sc3cccc(Cl)c3c2Cl)CC1 603575253 XWWDRZPTFXLVRW-UHFFFAOYSA-N 473.341 5.290 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 603897980 SNWWAWWTCQKHLM-UHFFFAOYSA-N 481.883 5.749 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2Cl)cc1 604027026 WOAOJROATTYTDG-UHFFFAOYSA-N 495.988 5.043 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3cccs3)C[C@H]3CCCO3)cc2Cl)cc1 604163101 BWEFKSCRWVRTIO-HXUWFJFHSA-N 495.988 5.212 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)o2)cc1 609057321 NXUXDWMPBKDWSI-FICVDOATSA-N 460.374 5.370 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc2Br)on1 609066422 BNTIKPQEGWUSTD-UHFFFAOYSA-N 478.249 5.050 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 609079282 TZOGUYGBKUZQLO-UHFFFAOYSA-N 478.552 5.741 30 20 JKED CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609080190 RZTRWXMXJRHEHC-INIZCTEOSA-N 462.937 5.632 30 20 JKED COC1CCN(C2(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CCCC2)CC1 609355702 REBLFHHEUOJNJH-UHFFFAOYSA-N 497.039 5.336 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 609377538 XYOCWUZRKBUOCZ-FZKQIMNGSA-N 491.400 5.089 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccc(C(N)=O)cc2)n1 609389199 BNIFIMHTAVBUKY-HNNXBMFYSA-N 482.656 5.175 30 20 JKED N#C[C@H](C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613404484 ODJWGXZBSXJKIW-OAHLLOKOSA-N 491.292 5.753 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1cccc(C)c1 617943012 YFHXMRQBLBHNKV-INIZCTEOSA-N 458.990 5.371 30 20 JKED O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618904035 UPKYAROJMQLVON-GHMZBOCLSA-N 474.327 5.486 30 20 JKED CN(C(=O)CCOCC(F)(F)C(F)(F)F)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 622374878 DATDHZJANFUXLI-UHFFFAOYSA-N 472.332 5.460 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccccc2C)no1 645079357 IJHSYAJQNONPFJ-UHFFFAOYSA-N 453.955 5.347 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2sccc2C)C1=O 726422457 WDUIRGVIHJNELC-OAAMPRGQSA-N 499.683 5.717 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cccc(Br)c1 726570966 AZASVDGFEZDZJE-UHFFFAOYSA-O 499.841 6.147 30 20 JKED COc1cc(/C=C\C(=O)c2sc(-c3ccc(Br)cc3)nc2C)ccc1OCC#N 727780911 WMJOBDUMERSPLN-OQFOIZHKSA-N 469.360 5.688 30 20 JKED COc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 728062987 YPXQAFUKMUMMRK-MRXNPFEDSA-N 465.937 5.247 30 20 JKED Cc1sc2ncn(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c(=O)c2c1-c1ccccc1 728160296 HWOYLGFBLZLITG-UHFFFAOYSA-N 492.560 5.268 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 728393005 PYBKDZBIFLDDJG-MRXNPFEDSA-N 474.948 5.192 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 728776814 VHEKJHHPORRLQV-DEOSSOPVSA-N 470.598 5.172 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3scnc3C)C2=O)cc1 729142823 MGMCRTKASNLUCC-OAQYLSRUSA-N 478.643 5.537 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C(C)C)cc1 730444267 LAVXPWAFRAPWTE-DEOSSOPVSA-N 490.629 5.618 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(C3CCC3)C2=O)c1 730458987 DNOLWSOHEGGXAC-HSZRJFAPSA-N 481.618 5.340 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1 730631643 ONDKAUJFBOGUBB-GOSISDBHSA-N 483.540 5.282 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)c1 730945504 SGCAZYZEHQTLLF-YBPWMRRSSA-N 494.642 5.303 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N([C@@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731306027 JBXFUCQMZIVLNP-DHIUTWEWSA-N 475.545 5.179 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1Cl 731306116 RNBKPQNUPLQCQX-LJQANCHMSA-N 496.416 5.086 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 746942598 KLBGVJLDWBVTBC-MHZLTWQESA-N 495.627 5.096 30 20 JKED Cc1ccccc1-n1c(-c2ccc(Cl)cc2Cl)nn(CN2CCC(C#N)CC2)c1=S 747078806 GAEUFABFBJZYGI-UHFFFAOYSA-N 458.418 5.879 30 20 JKED COc1ccc(/C=C2\CCOc3ccc(I)cc3C2=O)cc1OCCCC#N 747361322 KOQPVYHXUWZTDU-FOWTUZBSSA-N 489.309 5.031 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cscn2)C1=O)NCc1ccccc1 747600512 BNFGWEMZRMYHDD-HSZRJFAPSA-N 486.622 5.135 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN3C(=O)c3ccc(Br)cc3)n2)cc1 750396392 WRGIWODYHBNWBZ-PZJWPPBQSA-N 494.414 5.362 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cnn(Cc2ccccc2Cl)c1 767302972 QREZEVAFGDZQES-UHFFFAOYSA-N 493.807 5.233 30 20 JKED COc1ccc(-c2nc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)nc(O)c2C#N)cc1 824963552 BYFRQLMYGJAUML-UHFFFAOYSA-N 485.447 5.091 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 837763865 JAVRJLRGIWRJSJ-BVZFJXPGSA-N 498.583 6.095 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N([C@H](C)c2cccnc2)C1=O 838232180 LCKRCYYUCYIDFY-UZUQRXQVSA-N 492.576 5.259 30 20 JKED C[C@H](SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 849191285 ANVHONJWDJTEEA-BDFKGGEMSA-N 470.529 5.201 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1F 914541629 XPSWCGFZZTZLNC-FQEVSTJZSA-N 467.591 5.034 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)c1 914692107 UYLIWZMIUUJWBK-VGOFRKELSA-N 465.550 5.319 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2C(F)(F)F)cc1 915085125 GSTCASKWLHBRCA-QFIPXVFZSA-N 460.459 6.107 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1nc2ccccc2s1 915098162 JEHVSHUMLBAKJH-QGZVFWFLSA-N 457.477 5.044 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 915860455 ZYFCGWRTASWDSO-UHFFFAOYSA-N 470.529 5.041 30 20 JKED N#Cc1ccc(-c2csc(NS(=O)(=O)c3cc(Br)ccc3Br)n2)cc1 916102221 CZTQXZNIVNOGDK-UHFFFAOYSA-N 499.209 5.008 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(Br)cc2)[n+]2ccccc2)C=C1 916203067 RDERIYQJLDSYKR-UHFFFAOYSA-O 484.395 5.321 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)c1 916207910 OQMDZRQMIIGBQP-IBGZPJMESA-N 463.525 5.630 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccccc1C 916216379 UBRFTCCXPZWTID-OAQYLSRUSA-N 490.025 5.044 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 916632251 UCFGWTPMUSMLIB-DEOSSOPVSA-N 494.517 5.519 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1 916889963 KMQTTYGEKBRIIK-KRWDZBQOSA-N 459.449 5.107 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)COc1ccc(C2SCCCS2)cc1 916902413 XHVZTKHYDZWCNB-QGZVFWFLSA-N 491.034 5.252 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 916928148 UZVJYLRJMXQWDO-CQSZACIVSA-N 469.752 5.795 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cc1Cl 916928584 OFKVBYGFGACGHC-SKHCZCESSA-N 459.329 6.222 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)[C@H]2c2cccs2)cc1 917040085 ICWWIAVVWBXONP-BSRJHKFKSA-N 490.535 5.772 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@@H](C)Sc2ccc(Br)cc2)c1C 917311454 DRBJDYAXFJGJBE-QGZVFWFLSA-N 475.408 5.037 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(F)cc2F)cc1 917612131 IXUAAKQKKLVVFV-UHFFFAOYSA-O 450.534 5.745 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)cc1OC 917677689 IBBZYEGQFUDQNG-OAQYLSRUSA-N 499.589 5.065 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 918331062 IQBVQCXBMLEHAA-UHFFFAOYSA-N 487.940 5.215 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)c12 919208281 OCEKCBUJOFANAN-UHFFFAOYSA-N 496.011 5.375 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc3ccccc3s2)c(OC)c1 920106747 ZOWPNGMPILKGJL-OAQYLSRUSA-N 481.577 6.271 30 20 JKED N#C[C@H](C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2cc(C(F)(F)F)ccc2s1 920112681 GRTDPRBMMBGRFF-CHWSQXEVSA-N 498.313 5.851 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@H](C)c2ccc(C)s2)C1=O 920172372 HMUCTHWLKNXDJR-ZHRRBRCNSA-N 497.617 5.926 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2cccc(C)c2C)no1 920353373 IEMLMCHPXREJMK-JOCHJYFZSA-N 497.020 5.722 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C(C)C)cc2)no1 920353506 LPYLYALSXAEIKB-JOCHJYFZSA-N 462.575 5.267 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2c(C)noc2C)C1=O 920353727 QVODKRHVOUTXPK-HSZRJFAPSA-N 492.601 5.077 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(-c3ccccc3)cc2F)c1 920453201 BWYGARMZQRVRBE-UHFFFAOYSA-N 481.552 6.347 30 20 JKED N#CCOc1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c1 920846560 YNTUBOFYZBPZFI-UHFFFAOYSA-N 487.357 5.385 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)COCC(F)(F)F 921254410 WABGFZOVSBRSBR-DNVCBOLYSA-N 497.514 5.062 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CCO2)C1 1778890925 SYKZBXUFJGRUNC-ALTZYDRJSA-N 494.582 5.097 30 20 JKED COc1ccc([C@@H](C)C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)cc1 1786035374 FVPYUSWJKKMQMM-HXUWFJFHSA-N 467.569 5.047 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787134597 OLJQYFIIWCOUOK-SFHVURJKSA-N 476.552 5.369 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc(Br)cc4F)CCC3)cc2)CC1 1787878638 BREKSRSDNSKBKS-YCRREMRBSA-N 482.353 5.039 30 20 JKED CCc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789818356 CRDOMYIWVHVKPR-KRWDZBQOSA-N 456.546 5.234 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(OC)nc(C(F)(F)F)c3)cc2)CCC1 1790043802 QTJHJSWBYRROIS-UHFFFAOYSA-N 473.495 5.050 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3Cl)cc2)CCC1 1790225414 WREBKJMBWPEFTG-QFIPXVFZSA-N 496.007 5.004 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707964 ZJTXXPBXPFQSHB-UHFFFAOYSA-N 490.563 5.778 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)ccc5F)cc4)CCC3)[nH]c2c1 1790763741 LGICQGJGUPZNDD-UHFFFAOYSA-N 482.515 5.249 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4cccc(Br)c4n3)cc2)CCC1 1790924748 WYIROGKETIMQPF-INIZCTEOSA-N 481.394 5.057 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ccoc45)cc3)CCC2)ccc1F 1790956870 MYFZBXWWZXGVKM-UHFFFAOYSA-N 467.500 5.434 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CNc4ccccc4C3)CCC2)cc1)C(F)(F)F 1791303333 WHPCQLFKFMRZAV-GOSISDBHSA-N 471.523 5.304 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccco3)cc2)CCC1 1791802907 OHIGKBDYZKGJKP-QFIPXVFZSA-N 493.604 5.173 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4[nH]cc5c4CCC5)CCC3)cc2)c1 1792125368 WWJRULUGOCXKBL-GOSISDBHSA-N 452.558 5.192 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1 1792170962 BQCZHAVFYZCMEH-HNNXBMFYSA-N 479.474 5.393 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)C2 1793052813 RWMMCMIWGNPHJJ-SXPGVMETSA-N 495.664 5.293 30 20 JKED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1793616496 RLWXZCPOXKXLRG-HTUFRPJOSA-N 472.601 5.091 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(C)(C)C)s2)cc1C#N 1797155292 UTAAEZGRHMVMDQ-WKCHPHFGSA-N 479.646 5.270 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3nc4ccccc4[nH]3)cc1)C2 1798591919 QJNNDHYDOODJFO-NUNAXRQHSA-N 470.617 5.474 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4ccc(Br)cc4s2)C3)c1 1799602073 ORKGNCFSLQMJJD-ACDBMABISA-N 494.414 5.101 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@@H]42)C3)cc(C(F)(F)F)c1 1800740647 DJSSHBAFGOMZDL-ZAMBFCTFSA-N 487.566 5.435 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2)c1ccc(O)cc1 1802423927 HDOCZOFXXVITPQ-PSWRPDDJSA-N 490.987 5.241 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1803090509 HXKUNSQELHANRP-PXJZQJOASA-N 496.655 5.577 30 20 JKED CC[C@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)c(C#N)c1)c1ccccc1 1803840853 HPSINGPDJPGXED-ZGKUFBCWSA-N 487.644 5.427 30 20 JKED Cc1csc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1804535445 TYCKYGQOSWONKY-IUGBQFMMSA-N 486.641 5.031 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(-c5ccccc5)on4)C3)CC2)c1Cl 1804731983 IXNCWDJVFYWIRE-UHFFFAOYSA-N 488.975 5.025 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c(C(F)(F)F)coc3C)CC2)C1 1805454905 LDYCINOQAROQIP-UHFFFAOYSA-N 452.517 5.220 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1)C(F)(F)F 1809442676 BMWYTERGNKPZOH-FOIQADDNSA-N 493.938 5.388 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1810183554 WRAHJZYTNMLICJ-FUZIDMDMSA-N 451.655 5.318 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)[C@@H]1c1cccnc1 1810272437 OICHLAVJHPVYHM-LBNVMWSVSA-N 498.703 5.001 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810275003 PXCHNCOABYMXML-YIXXDRMTSA-N 496.127 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)[C@@H]1c1cccnc1 1810490221 SGHYTEUQUCBXCR-DYESRHJHSA-N 475.420 5.095 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3sccc3Cl)[C@@H]2c2cccnc2)c1 1811095537 FJLQGDRBOYCNDL-BUVFEPMLSA-N 479.005 5.057 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1 1812809474 QUDWOJMNDXKECS-GJZUVCINSA-N 478.612 5.409 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@H](CNC(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)cc1 1814054057 QJDZUKQXWVVVDU-SQHAQQRYSA-N 478.596 5.071 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)[nH]n1 1814441571 BCRPVXPJURDVOK-QHCPKHFHSA-N 490.608 5.107 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1815244368 XTCXWJJXXXMFTD-AZUAARDMSA-N 493.555 5.170 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5ccoc5s4)sc3C2)c1 1816694994 KBRITCPIYWJMPE-DYVFJYSZSA-N 476.583 5.117 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)[nH]n1 1817099702 PLCPIJWMCBDLSJ-OAHLLOKOSA-N 480.384 5.216 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc(-c3ccccc3)ns2)n[nH]1 1817676640 ZWJJTTUBYAOXCI-QUCCMNQESA-N 476.606 5.003 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)oc2ccccc12 1818569731 IJSMTDIYSRBXAS-JOCHJYFZSA-N 467.529 5.150 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)oc3cc(O)ccc23)n[nH]1 1818659289 CAEWCYPAFLQADJ-WIYYLYMNSA-N 462.550 5.244 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217957 LNBHGLZTOQOUDG-HRAATJIYSA-N 494.020 5.421 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)[nH]n2)cc1 1820546762 AISZGYBUBYFWCU-RUCTVCJSSA-N 493.489 5.319 30 20 JKED COC1(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)CCC1 1821155196 LWHCXDUCKIMWSA-SANMLTNESA-N 496.611 5.075 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)c2O1 1821182317 NMHFEZMMHOILQN-XMMPIXPASA-N 497.599 5.199 30 20 JKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)[nH]n2)cc1 1821225847 PDUFBFGMNGZNAH-RUZDIDTESA-N 478.556 5.205 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sc(C)cc3[nH]2)n[nH]1 1821438047 PEFSLOKPNLFZGT-FQEVSTJZSA-N 451.596 5.335 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4nscc34)n[nH]2)c1 1821520240 DJZNDZUHXUKOMJ-QMHKHESXSA-N 484.585 5.266 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821755984 GYQCEUBZBIXGBR-GMAHTHKFSA-N 486.060 5.351 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821756860 QRXXEKZITBAXJU-VWNXMTODSA-N 484.044 5.127 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821856429 AZWUNDGNJIYQRT-FRGLQRNOSA-N 473.017 5.086 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(F)ccc2Br)[nH]n1 1821917906 BGDOMNBPZPKFFS-YWZLYKJASA-N 491.405 5.148 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[nH]n1 1821923057 SUEOVXWJWOCQCY-UUOWRZLLSA-N 482.588 5.471 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)[nH]n1 1822391818 KBYVKXNQRAIETF-RUZDIDTESA-N 492.583 5.129 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)[nH]n1 1822584623 YBTDVFILZDOCFG-NRFANRHFSA-N 496.409 5.153 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)[nH]n2)c1 1823211303 LUFXLLXRVYLZFU-CUHUQNRHSA-N 459.525 5.053 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)s1 1823216671 ZATPTJLKYPHMBH-DEWVLAIRSA-N 473.602 5.426 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053729 CULDYQBWEJFAGW-RUZDIDTESA-N 494.035 5.086 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1)C(F)(F)F 1824827673 JABILUJNYQGSPU-DAWZGUTISA-N 468.482 5.093 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1824827934 USXUPYSGWGFLRW-HQNXYIODSA-N 489.582 5.469 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1824960490 OEUGCPDCKSKSHY-FQEVSTJZSA-N 463.713 5.028 30 20 JKED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)CC2 1825124770 LNDROEAHSUBIJX-RDJZCZTQSA-N 474.586 5.322 30 20 JKED Cc1occc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1825909456 KITNCBKEUVKODW-QFIPXVFZSA-N 473.495 5.026 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccsc3)CC2)cc(C(F)(F)F)c1 1827167151 XYSBUYKDPUNROB-JOCHJYFZSA-N 489.563 5.115 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1827515936 KZMNQOUDFMTGOS-RDPSFJRHSA-N 452.639 5.236 30 20 JKED Cc1cccc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)[nH]c12 1827696879 HNXFTJIFZOHMMD-OXQOHEQNSA-N 483.597 5.100 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)CC1 1827904651 RZSPXRKJWIGCBI-QUCCMNQESA-N 461.672 5.080 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc4ccccc34)CC2)c1 1828002517 LETAJYALTLQLEB-RBTNQOKQSA-N 480.612 5.409 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)ccc2s1 1828254035 ULXZGINGBLRLHE-XMMPIXPASA-N 472.614 5.024 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)CC2)c1 1828340068 WZUQPPDEXIVPOB-VWLOTQADSA-N 476.020 5.177 30 20 JKED CN(C)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828906827 JUGDTGIEKVDLTK-AREMUKBSSA-N 481.757 5.037 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1829182255 KDOAJZFLHOWROT-VGSWGCGISA-N 499.442 5.563 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2SCC)CC1 1829867117 QJZCZGOWXUFUEB-FCHUYYIVSA-N 455.668 5.195 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829908305 WNUKLFJNQQYTBZ-NVQXNPDNSA-N 491.632 5.513 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)ccc1Br 1830119735 DFOCCAONEHQLSB-XMMPIXPASA-N 494.433 5.176 30 20 JKED CO[C@@](C)(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](S)C(C)C)CC1)c1cccc2ccccc12 1830158963 GCEYDGRKRZGWPC-QXTIUPHPSA-N 496.717 5.276 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)ccc1O 1830550053 JCWMQDAHSFMBRQ-QHCPKHFHSA-N 499.533 5.138 30 20 JKED COc1cccc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830723008 CFOXAPIROIPHNU-WOKXFPNESA-N 492.019 5.167 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(C)oc4cc(O)ccc34)CC2)c1 1830769542 QWKNJUHLRFIQIF-VWLOTQADSA-N 485.584 5.174 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 1831442504 VBMNJUYEXRASDU-LJQANCHMSA-N 487.360 5.033 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1831849510 YYEAHOGUEOQZJN-GDLZYMKVSA-N 493.651 5.939 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)CC1 1831860174 MWKGPCQPGSVYAL-AREMUKBSSA-N 495.614 5.411 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1831953505 FMMCRBIZTLKBME-IDISGSTGSA-N 475.608 5.237 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1832030278 KIYPFRJUIWWUST-XMMPIXPASA-N 473.057 5.554 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1832633090 CBUONAHGARYFBF-DFBJGRDBSA-N 495.570 5.462 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1832827189 RJXCDGUSABRZRO-GOSISDBHSA-N 472.910 5.145 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc4ccccc34)CC2)CC1 1833076584 ZMWVIFPWSGLZGR-UHFFFAOYSA-N 461.650 5.017 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1F 10829368 CJZPVEJFQFGEMM-UHFFFAOYSA-O 477.531 6.033 30 20 JKED CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 11047505 KDZVGLIHQNSGRX-DEOSSOPVSA-N 473.001 5.869 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1c(C)cc(C)cc1Cl 11089568 LSCZWYXWWUUUBE-UHFFFAOYSA-O 459.969 6.136 30 20 JKED N#Cc1ccccc1/C=C/C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 11184084 MAZWMMNMCQMULS-UQNNOOFXSA-N 461.861 5.056 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 11268382 VQDRMBHPRMKGLU-UHFFFAOYSA-O 482.585 5.832 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3Br)[nH]2)n(C2CCCC2)c1C 11684123 FZCBRORIEVMOKA-UHFFFAOYSA-N 499.438 5.370 30 20 JKED CC(C)Cn1c(SC[C@H](O)COc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 15244646 CSXVUBPTBLRHCE-QGZVFWFLSA-N 477.417 5.312 30 20 JKED C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)N(CCC#N)c1ccccc1 22101362 TZBBNZYCDGICIH-KRWDZBQOSA-N 492.988 5.119 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1 28298361 WMNQRDJWASSPKZ-RTWAWAEBSA-N 495.718 5.571 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc3c(c2)CCCC3)c1 28811049 OAPMSMGCPGZUTC-UHFFFAOYSA-O 474.606 5.683 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)c1cccc2ccccc12 31203193 OUOJZVXKWRFQNY-HNNXBMFYSA-N 453.336 5.129 30 20 JKED C=CCn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccncc1 33473767 KGRZYFGPPDGEFG-DEOSSOPVSA-N 451.555 5.724 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1-c1ccco1 45766768 VYMYTYMGQVCHQI-GFCCVEGCSA-N 467.601 5.604 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccc(C(=O)N4CCCC4)cn3)c2C#N)C1 248153218 CDKGWCNTAIGEIL-SFHVURJKSA-N 496.702 5.523 30 20 JKED C[C@@H]1CN(Cc2cccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)CCO1 302974010 GUGQLBQQXQBWQG-OAQYLSRUSA-N 471.626 5.001 30 20 JKED COc1cc(F)c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1OC 410011267 RFHOVALQMNHNJE-UHFFFAOYSA-N 477.336 5.319 30 20 JKED C=CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 482014989 JSXXIZPISMVTKG-LJQANCHMSA-N 494.560 5.469 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)cc2)c1C(F)(F)F 486984880 MPELYQUHSJDZBX-INIZCTEOSA-N 484.478 5.163 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1 491568364 INFFHPCNPCHHCK-VWLOTQADSA-N 468.601 5.018 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nc(-c2cc(Br)cs2)no1 497488198 DWGOUHPZAMALEH-UHFFFAOYSA-N 472.817 5.423 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N(C)C)c2)nc2scc(-c3cccs3)c2c1=O 498743562 FEJZSNQAAQOPSH-UHFFFAOYSA-N 467.641 5.367 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 500068354 SCBOFOSKVAYGKQ-UHFFFAOYSA-N 450.498 5.617 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(Cn3ccnc3)c2)cc1Cl 500170835 NLKCLMSSIMCUKC-XMMPIXPASA-N 455.949 5.562 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)c2)cc1 501483015 VQTYCKCKEQYGMN-UHFFFAOYSA-N 473.985 6.290 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1NC(C)=O 502366615 NCSYQBNLYHKWAM-NRFANRHFSA-N 462.937 5.284 30 20 JKED Cc1cccc2[nH]cc(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c12 504292672 BTXKMLQRAWREDY-UHFFFAOYSA-N 454.477 5.595 30 20 JKED CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cccc(OCc2ccccc2C#N)c1 508457816 WVEFCSHOJVEMFO-UHFFFAOYSA-N 464.569 5.243 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 509674808 DPGGJOXRTAWEFA-UHFFFAOYSA-N 468.473 5.157 30 20 JKED Cc1ccc(OCc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)cc1 511906671 QFIDLJBSWQDLQM-HNNXBMFYSA-N 468.604 5.136 30 20 JKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccccc1OC(F)F 512771251 TVBSGTVIWIFOTP-ZDUSSCGKSA-N 455.486 5.423 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 512993879 RPRKAUXPCRQAPR-MRXNPFEDSA-N 467.447 5.494 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)cc1 514030751 KGAYDYLMIMBTCT-UHFFFAOYSA-N 480.362 5.588 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 514358238 QYZIRIXPNKJXFY-RKDDFOCISA-N 488.057 5.108 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)c3cnn(C(C)C)c3n2)c(C)o1 515440755 NKHSXMMWYHOZIG-UHFFFAOYSA-N 457.534 5.824 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)cc2)c1 517510283 CABJRJKBQMSMRN-UHFFFAOYSA-N 468.534 5.577 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc(-c3ccccc3)nc21 518143223 FBEKUJBOULCNMM-SFHVURJKSA-N 455.587 6.183 30 20 JKED COc1cc(OC)c(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1 518166176 RUZUKEPGLPDPID-UHFFFAOYSA-N 461.518 5.049 30 20 JKED COc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Br 518320772 DVTSVOJHMMMAQX-UHFFFAOYSA-N 451.320 5.355 30 20 JKED COc1cc(-c2noc(CCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc(Cl)c1OC 520924112 JFOIXQGGSAIWLF-AWEZNQCLSA-N 486.981 5.373 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 520939135 LGPXERFOOVNHJX-QGZVFWFLSA-N 464.557 5.695 30 20 JKED CC(C)CN(CCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521372728 IJIIWKAMHYNJKC-UHFFFAOYSA-N 451.621 5.435 30 20 JKED CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524139588 OXTSQZXLSJNPGX-UHFFFAOYSA-N 475.726 5.797 30 20 JKED CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 524703715 RBTVHWOHFDKFDY-MHZLTWQESA-N 469.516 5.825 30 20 JKED C[C@@H](NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 561387024 SSMRXFMQRWOYSW-SNVBAGLBSA-N 481.343 5.725 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 589044659 RYEHBZZPSFRXEM-DCAQKATOSA-N 451.329 5.498 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(OC)c2)c1 589384568 IXCAHPPYFDTHSD-UHFFFAOYSA-N 462.571 5.633 30 20 JKED CC(C)c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1Cc1ccco1 589949399 WHFGBNZQDVCVKL-OAHLLOKOSA-N 469.636 5.222 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2C(F)(F)F)c1 602229249 NDLVVBLVPLEGEA-UHFFFAOYSA-N 467.476 5.371 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4cccc5ccccc45)C3)cn2)c1 603623330 HQLVKWWRZOTPRH-QFIPXVFZSA-N 476.536 5.390 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cnn1-c1ccc(F)cc1 603671875 DIBJBEUWEPCOEW-UHFFFAOYSA-N 485.466 5.510 30 20 JKED C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccc(OCc2ccccn2)c1 603982653 NYLIEPLWZUBTGM-OAQYLSRUSA-N 463.537 5.602 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)o1 603997319 CILPCXPUNFLWKS-HXUWFJFHSA-N 451.320 5.470 30 20 JKED N#CCC[C@@H](C#N)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F 608853496 LBUBYESPINVIRI-ZDUSSCGKSA-N 496.436 5.959 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)cn2)cc1 608995032 XRFWXFBJSXKRQV-OAQYLSRUSA-N 469.328 5.658 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 608995377 MHMPOKWSHXXKEB-UHFFFAOYSA-N 450.445 5.040 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(F)c1 609079591 CWNROELJUWUCQJ-XMMPIXPASA-N 489.938 5.574 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1oc2ccccc2c1C 609087881 MBUTYUHVLZVIDY-IBGZPJMESA-N 467.525 5.316 30 20 JKED CC(C)(C)c1csc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 609208555 SOUZCNZWSSJTIC-UHFFFAOYSA-N 452.555 5.395 30 20 JKED CN(C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2)c1ccc(C#N)cc1F 609217876 WCLATMFDDIWGFW-UNOMPAQXSA-N 477.495 5.738 30 20 JKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)NCc1ccc(C#N)cc1F 609252053 CQRPKCZAHZPYJJ-UHFFFAOYSA-N 476.508 5.069 30 20 JKED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)c(F)c1 609256126 VGIRBLUIPMHLBO-UHFFFAOYSA-N 476.266 5.190 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(F)cc2Cl)cc1 609439895 SJXXFMIUIVERED-XDHUDOTRSA-N 496.007 6.026 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)cs1 613319484 DVKKBQWTIWVCDC-HXUWFJFHSA-N 482.055 7.011 30 20 JKED COc1ccc(-n2nnc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c2C)cc1 613344683 MLJNNMDASHRXPA-QGZVFWFLSA-N 484.368 5.505 30 20 JKED N#C[C@@H](C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347400 ZRCCLRATIWQHRU-MJGOQNOKSA-N 473.381 6.165 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613405253 VQOBMFZQIGGLQX-SFHVURJKSA-N 483.446 6.197 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1NC(=O)c1ccco1 642281856 UQPORVHLIPXXCY-KRWDZBQOSA-N 496.375 6.761 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282050 HCRPDHCFSVNOEJ-INIZCTEOSA-N 459.474 5.841 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 726230530 OWYIIBLIJKXYQM-VWLOTQADSA-N 456.521 5.364 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1nc(C)c2ccccc2n1 726395582 ABWCUOFARUQPRG-XMMPIXPASA-N 495.608 5.407 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 726397234 HGRAROZWZPXDGT-REWPJTCUSA-N 467.635 5.306 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1)c1cccs1 726420673 MEOGRXZFUDPDBY-CNAVFTNWSA-N 494.598 5.246 30 20 JKED N#CCCCOc1cccc(/C=C2\SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)c1 726800997 CIENLTKKVBZXIU-AQTBWJFISA-N 464.490 5.674 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 726940165 LTRUOKPCGKICEZ-UHFFFAOYSA-N 462.347 5.570 30 20 JKED Cc1cccc(C2(CNC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCCC2)c1 727040442 ZERNPNMSERUEPJ-SANMLTNESA-N 451.570 5.217 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1=S 727429545 RBPZXGHYZGOZOS-OAQYLSRUSA-N 492.979 5.142 30 20 JKED Cc1cc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c(C)n1-c1ccc(C#N)cc1 728267787 CNPMVXHGOSZLMM-FQEVSTJZSA-N 450.542 5.431 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccccn1 728423890 REGWLZKQCDPFFS-QFIPXVFZSA-N 489.988 5.076 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3scnc3C)C2=O)cc1 729146699 WMPIXUGBJXGFBA-IBGZPJMESA-N 485.034 5.574 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccccc2-c2ccccc2)cc1 729670711 WEAWLJGENUCHJP-UHFFFAOYSA-O 499.612 6.024 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 730536748 QRAZVRGPEGBMSY-NRFANRHFSA-N 496.520 5.104 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 730536752 QRAZVRGPEGBMSY-OAQYLSRUSA-N 496.520 5.104 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cccs2)C1=O)Nc1cnccn1 730710822 SJPIFRACQYDDCJ-INIZCTEOSA-N 492.413 5.005 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cocn1 730716918 YNCZSOVPVLSOPE-XMMPIXPASA-N 484.581 5.551 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943975 OSKPJKZKTNKLLF-AOMKIAJQSA-N 496.995 5.904 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 731071906 ZXONCVUUGFHPMD-GFCCVEGCSA-N 462.358 5.522 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)CCc2ccco2)cc1F 731309296 RLSXITHCGUCIRD-GAJHUEQPSA-N 495.576 5.414 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 731400876 WRKSQSAGLSSHNC-KURKYZTESA-N 456.587 5.155 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c1 743525741 SQUNYNZUALXHDB-QFIPXVFZSA-N 498.530 5.276 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(C)c(F)c1 746697535 FVRSXGORLIQPPT-OAQYLSRUSA-N 475.561 5.050 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 747803084 HKJVLLLLYGYRSM-GGAORHGYSA-N 469.054 5.978 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(F)(F)F 750397556 NNEQLTYCKJNKBS-QGZVFWFLSA-N 460.477 5.569 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccc(C3SCCCS3)cc2)ccc1Cl 802724153 XIPKNMSIIIMAFB-UHFFFAOYSA-N 475.035 5.621 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837382357 DHFNVRZULPKKBR-JTSKRJEESA-N 462.550 5.251 30 20 JKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@H](F)c1ccc(C(F)(F)F)cc1 857502758 SNSFWDIWKWBCEN-MOPGFXCFSA-N 463.393 6.019 30 20 JKED COc1cc(/C=C/C(=O)N(Cc2ccco2)c2ccccc2C#N)ccc1OCc1c(C)noc1C 914521713 JYRMPMNBFMZEAS-ACCUITESSA-N 483.524 5.590 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=S 915795763 MCACUSRVFNGNEG-UHFFFAOYSA-N 495.439 6.145 30 20 JKED COc1cc(/C=C\C(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916138388 IKBHGZNUOZWOKO-BENRWUELSA-N 495.453 6.374 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2)c1 916206840 SURNEXXBKOFHMU-QHCPKHFHSA-N 477.561 5.303 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(C2CCCC2)C1=O 916208000 QSAJPHPJJYIUGU-JOCHJYFZSA-N 451.592 5.215 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)cc1 916214515 NUJSMTWIDXLKEV-OAQYLSRUSA-N 473.545 5.266 30 20 JKED CCOc1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)cc1 916231741 YCVUWVIFOHVTMB-INIZCTEOSA-N 471.888 5.005 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847132 MHDUTFGFKWPMIU-NRFANRHFSA-N 481.577 5.782 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916888183 SPILHSHHOTWAFE-QGZVFWFLSA-N 473.526 5.485 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916928243 XBDUJCUBIJPCLX-HXUWFJFHSA-N 479.319 6.280 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2c(C)c(C)sc2n1 917042876 IGGYQFAXEXVWSK-ZDUSSCGKSA-N 492.573 6.214 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 917488434 NWKMRKGJZAVEPV-UHFFFAOYSA-N 497.064 5.693 30 20 JKED COc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(Cl)cc4)n3)oc12 917559466 JJUDMKXDQUGQDX-FLIBITNWSA-N 452.919 6.132 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 917612577 ZUIVZFXHFSOYQT-UHFFFAOYSA-O 482.654 6.438 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCC2=CCCCC2)C1=O 917704176 UIZKIMTUMXZLPE-XMMPIXPASA-N 488.613 5.418 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 918128397 UAOGUZPYOOTCQV-FYYLOGMGSA-N 456.521 5.364 30 20 JKED Cc1cc(C)n(-c2ccc(CC(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)cc2)n1 919184026 JRUMSUHTTNDBBY-UHFFFAOYSA-N 487.604 5.009 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3c(C)noc3C)C2=O)c1 920353946 WZEIDFHNPKNBFW-QHCPKHFHSA-N 492.601 5.077 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 928987272 CDRSFVXWIBNOCQ-LJQANCHMSA-N 487.581 5.534 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)c(C(F)(F)F)o1 1785796467 HNVMICYNGQTVNU-UHFFFAOYSA-N 496.489 5.254 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@H]4CCC(F)(F)C4)cc3)CCC2)cc1 1785800596 RGIJXXXNLQLLGS-FQEVSTJZSA-N 451.517 5.060 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC(F)(F)C4)cc3)CCC2)c1 1785803715 WRNCPQRCMNZGPV-PXNSSMCTSA-N 451.517 5.497 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]3C)cc2)CCC1 1789213284 XGFOWOGGVCFJNO-UAAMZHRGSA-N 481.637 5.026 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4cn[nH]c34)cc2)CCC1 1789375095 JPLPQMAEQDSCLT-UHFFFAOYSA-N 493.405 5.267 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CC3(C)CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789455531 XGPQJSXKMXFMJE-QHCPKHFHSA-N 495.664 5.536 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789880030 UZVUQKBINBAVMQ-JOCHJYFZSA-N 475.614 5.131 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3sc(Br)cc3C)cc2)CCC1 1790151742 ZNFDPLXYISFFEZ-OAHLLOKOSA-N 492.439 5.368 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4[nH]nc5c(Cl)cccc45)cc3)CCC2)cc1 1790371543 HGOKROQMGUVBFJ-UHFFFAOYSA-N 497.986 5.273 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@]3(C)C[C@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1790428114 UBXZJGORARNVHU-KAWPREARSA-N 469.626 5.026 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccco4)CCC3)cc2)ccc1Br 1790744416 FBYVANAOIJHNJU-UHFFFAOYSA-N 492.373 5.294 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)NCCC#N)CCC2)cc1 1790803402 LUFXLXYRYRCVFN-UHFFFAOYSA-N 487.431 5.331 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(CNC(=O)OC(C)(C)C)ccn3)CCC2)cc1 1791243546 SYQHIFJPMTWWAI-LJQANCHMSA-N 492.620 5.066 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C3CCC(NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791730036 DCSZHUGCEJCRIH-UHFFFAOYSA-N 495.664 5.398 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)c1 1792123952 VHPAFMPAARDEJV-INIZCTEOSA-N 481.474 5.987 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CO)c(F)c4)cc3)CCC2)c1 1792192389 FCZDOMAVLZTKOA-GOSISDBHSA-N 471.532 5.007 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ncc(Br)cc2c1 1793417175 JQRJRHUSYBTPPW-KOUNCHBCSA-N 498.465 5.170 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(C)noc1-c1ccccc1)c1ccccc1 1796930159 SDRQWYXHKIBWNW-QYOOZWMWSA-N 481.596 5.099 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)Oc1ccc3ccccc3c1)C2 1798335348 IIQZCHDUNHNCMA-OUJSJNLKSA-N 460.618 5.404 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C13CC(C1)C3)C2 1800175513 KANLIBBHQGPUMP-XRRPANLSSA-N 489.701 5.069 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(Br)cc1Cl 1800402262 RWZZVAINXAAPRL-MUJYYYPQSA-N 483.809 5.262 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccccc2c1Br 1801098021 IWOIRRZGDKZRAH-ACDBMABISA-N 467.407 5.048 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4ccc(Br)cc34)CC2)C1 1805456547 AZXGEHVPGPUUFI-UHFFFAOYSA-N 498.465 5.544 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)C1 1806062894 GIBJKCUCGNCPKJ-DEOSSOPVSA-N 479.646 5.227 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc(F)cc4F)C3)CC2)c1 1806470578 BQQRXXVHBFYNQF-JCOOBLOPSA-N 477.555 5.150 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@H](CNC(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)cc(C(C)(C)C)c1 1806857152 GNHRPALDRGFQEA-BWKNWUBXSA-N 486.660 5.300 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1808462902 ZZFQKXFYGWHBLA-NOZRDPDXSA-N 486.616 5.357 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3ncccc3c2)[C@H]1c1cccnc1 1809015088 NVAOEWDEWZDSAI-LBNVMWSVSA-N 498.703 5.001 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc5ccccc5c4)C3)CC2)c1 1809124166 PDMLHQGZYGDYTH-UHFFFAOYSA-N 465.597 5.107 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809442671 BHCJBYAYVLTCBR-XAEMIUIASA-N 468.022 5.482 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810175906 PKRKXVXKKHLBBY-XAHYKELJSA-N 466.025 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1810498703 PEDDWTAJGQVYCS-ISKFKSNPSA-N 488.657 5.517 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)CC1 1811368602 SPOLSFPAPLPYJS-GABCFMIKSA-N 472.633 5.074 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1)C(F)(F)F 1812682154 CTWDALRUPDBWLZ-DNVCBOLYSA-N 486.321 5.135 30 20 JKED C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC1 1813550173 UXVHUOHXFZNAJV-FSJWIPBVSA-N 498.549 5.118 30 20 JKED Cc1cc(C)cc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1813869983 WBGULNAQFGFMSF-KXUYPQTPSA-N 494.639 5.278 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)[nH]n1 1814442748 XNDKTVMTCNCFBJ-OAQYLSRUSA-N 475.593 5.671 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c(O)n1 1816242024 WFHDANSTDKWRAU-OAQYLSRUSA-N 497.958 5.041 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3ccccc3)n[nH]2)cc1 1818228340 HHDXGCRLZYJFLO-VWLOTQADSA-N 490.567 5.157 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3nc(C)sc23)n[nH]1 1818534243 RXYLNZSGYSTJEP-FQEVSTJZSA-N 465.623 5.626 30 20 JKED Cc1nc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)ccc2s1 1818702409 AVQAQXBNPTVFIR-WAIKUNEKSA-N 498.612 5.575 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)[nH]n1 1819305302 HRSOOVPEHOMTPL-PGRDOPGGSA-N 478.984 5.081 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)[nH]n1)c1ccccc1 1819516432 RZTSIAAMURITTO-LJPGWJPTSA-N 481.600 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)[nH]n1 1819554119 GRTGQMPIDXTFRM-QHCPKHFHSA-N 490.608 5.107 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)CC1 1820976971 DUNKZGVHHVXBPG-XMMPIXPASA-N 475.637 5.513 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c1 1821126303 PGOOXBLHOPUMSQ-OYHNWAKOSA-N 479.943 5.449 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821288507 FODQDCMRLOJZET-GOSISDBHSA-N 465.356 5.355 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1)C(F)(F)F 1821993554 GWLIXPFWZBKBGR-GOSISDBHSA-N 477.874 5.036 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1)c1ccccc1 1822039431 VGISRSQDFCWWQG-CPJSRVTESA-N 469.589 5.100 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 1822248954 LTRXMIPAUYKIKE-LKRGOLFISA-N 485.426 5.180 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[nH]n1 1822583420 MPBAXUSQBRWYBT-NRFANRHFSA-N 486.538 5.346 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)CCCO3)n[nH]1 1823137651 CXGZALBLGPDAEX-NRFANRHFSA-N 450.583 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cccnc34)[nH]n2)c1 1823214581 GLOGJNVVMVIVNZ-KOSHJBKYSA-N 478.556 5.205 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4sccc4s2)CC3)cc1 1823497296 DKHZHMLQYHGJEI-HNNXBMFYSA-N 478.624 5.025 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1 1823584959 OLQAEEDAHBAQFI-DVECYGJZSA-N 476.644 5.199 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823660862 KAYKTUFCSBGKSO-CJFMBICVSA-N 490.673 5.368 30 20 JKED O=C(c1cc2[nH]ccc2s1)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055208 GBZHTQUXABZBIO-QFIPXVFZSA-N 480.033 5.168 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1824139687 PDKDQOWVWKFLNO-JOCHJYFZSA-N 493.570 5.024 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1824141218 LDPYUBFCKJFXOX-FQEVSTJZSA-N 452.517 5.300 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnccc3C(F)(F)F)CC2)c1 1825892418 FRNZWUOLLAFQNT-HOYKHHGWSA-N 498.549 5.275 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSc3ccccc3)CC2)c(Cl)c1 1826520556 CIXWNOBDKBMJFN-XMMPIXPASA-N 482.049 5.237 30 20 JKED O=C(c1cc2cc[nH]c2cc1Cl)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826525342 XIICRGREQJTYDB-SANMLTNESA-N 474.004 5.106 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1 1827410435 ORISCZOMQRCJBF-JOCHJYFZSA-N 484.738 5.779 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4ccoc4s2)CC3)c1 1827693698 RXUCOEREYAFUOU-DYVFJYSZSA-N 476.583 5.117 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)c1 1828515332 OZXWAGAWOIVGAQ-RUZDIDTESA-N 494.517 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829069290 UTRSPCHGUKFPOY-LJQANCHMSA-N 453.549 5.259 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2Cl)CC1)c1ccccc1 1829151037 MZTPGFJVHOENEK-OZXSUGGESA-N 478.036 5.166 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1830587293 VOZSHQAGLJNHMY-LJAQVGFWSA-N 498.671 5.025 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1)C(F)(F)F 1830878605 MTSNNERUGNGNOK-NRFANRHFSA-N 479.930 5.240 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830978130 OASMETWDYNDZNO-QHCPKHFHSA-N 468.663 5.426 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc(Br)cnc23)CC1 1830999586 VCRWSZMSEADLGV-HSZRJFAPSA-N 496.449 5.034 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831237015 CQRMLTHCJVOVKU-YKSBVNFPSA-N 476.583 5.318 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)CC1 1831241929 YCFKBVXRWJJXCL-HSZRJFAPSA-N 475.073 5.503 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831484053 ULWMZOXHGMFJSJ-CGXPIBJNSA-N 490.688 5.335 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCC2)CC1)c1cccs1 1831780692 ZHYPISYWKKFRQD-BYUVYSIJSA-N 490.669 5.229 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1832029459 AGGLPUJQMVTIPO-HSZRJFAPSA-N 475.658 5.581 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c1 1832628964 HJIFVEVYPFTBFB-JPYJTQIMSA-N 484.065 5.505 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)c1 1832629195 LMZSCVWERKHUEQ-ZBLYBZFDSA-N 487.619 5.418 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)CC1 1836747608 AYSBVKFAXUOBOF-QHCPKHFHSA-N 497.026 5.290 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc4c3oc3ccccc34)C2)c(Cl)c1 1845736568 LHBRIFSXXULNAC-UHFFFAOYSA-N 469.928 5.242 30 20 JKED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1847812183 YLLMFHWXSIHWDX-VSDWSMLSSA-N 478.555 5.160 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)OCCO2 11169780 VLRHHCALHROZFS-UHFFFAOYSA-O 499.587 5.526 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nc2cc(Cl)ccc2c1=O 12239832 KTWQBHHSMBUCAG-UHFFFAOYSA-N 496.036 5.372 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 16171746 WHHIZIVXJKTNLB-HSZRJFAPSA-N 494.910 5.202 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2Cc2ccccc2)CC1 21643362 UFXLPBSCJMFBIO-CSKUQDPHSA-N 479.675 5.466 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 22493110 QGYQIUGNLGNVID-SFHVURJKSA-N 490.943 5.072 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)NCc2ccc(OC)cc2)cc1 22692811 WMFFCPSUEJTVMP-UHFFFAOYSA-O 483.604 5.893 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc3ccccc23)cc1 22693259 OLZQVBXODVIAGJ-UHFFFAOYSA-O 462.545 5.522 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)nnc1-c1ccco1 23202040 GWZPASJSDNFWEQ-UHFFFAOYSA-N 467.576 5.166 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1C 28793637 JXGSHBAFPLFORV-UHFFFAOYSA-O 481.041 5.705 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccc(OC)cc1 32326474 PEODLTGNDGFRRR-HXUWFJFHSA-N 490.551 5.914 30 20 JKED C=C(C)CN(CC)C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(Cl)cc1Cl 57682258 VHALYUCDMXJWBG-UHFFFAOYSA-N 455.407 5.247 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 97542867 PGVZPMWYUIUPEK-HXUWFJFHSA-N 452.510 6.431 30 20 JKED C=CCN(C(=O)c1cc(S(C)(=O)=O)ccc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 104955272 DTUWKWBCVXHZCQ-UHFFFAOYSA-N 481.426 5.662 30 20 JKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 108067089 WEXMGXXWOYMPGT-UHFFFAOYSA-N 465.553 5.389 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 108739488 OUQHLKPKWSSDJJ-DEOSSOPVSA-N 470.548 5.170 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)sc2nc(C(F)(F)F)ccc12 195687737 CCDDCXFSAANOPO-MRXNPFEDSA-N 453.445 5.738 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCc2ccc(F)cc2C#N)cc1Cl 209746975 QHVUXOMQGPYRTJ-RGVLZGJSSA-N 483.977 6.098 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc2ccccc2c1 255899990 HLZDDSGCKYMAAP-XMMPIXPASA-N 466.566 5.395 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3C#N)n2-c2ccc(Cl)cc2)cc1 303004461 ZCPURUQRSZPZIA-UHFFFAOYSA-N 489.988 5.589 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccccc1F 303323086 UQSQRELRAMSVBY-KRWDZBQOSA-N 483.638 5.723 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3ccccc3Oc3ccccc3)cc2F)c1 481233200 UNNZICAQDUHCPI-UHFFFAOYSA-N 495.510 5.324 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)cc2F)c1 481653565 FIOWQKXYQJQAFK-BKMJKUGQSA-N 459.521 5.566 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)s2)cc1 487294857 USEMKHZNYUMLCX-UHFFFAOYSA-N 467.963 5.040 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1 503299935 GWPFVKBOBLCZAK-UHFFFAOYSA-N 496.032 5.217 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 505200778 FCXVFBRXTGRCBY-UHFFFAOYSA-N 496.592 5.105 30 20 JKED Cc1sc2ncnc(SCCC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2c1C 509279799 PTXPAXHKPZXKNF-UHFFFAOYSA-N 487.610 5.553 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)N2CCCC2)c1 509908146 CBILAWFDLCCUCA-MUUNZHRXSA-N 484.600 5.299 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(C(F)(F)F)cc1 511498759 PEHGCJWWNAUAKL-OAHLLOKOSA-N 452.436 5.712 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1 513064137 OFRFTQTVUIEZEV-SANMLTNESA-N 473.548 5.560 30 20 JKED COc1cc(CCC2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)cc(OC)c1 513845567 WBUWFSUVCPJNET-UHFFFAOYSA-N 474.557 5.232 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 514358202 OBJKUVNPQPNYCC-MRXNPFEDSA-N 491.444 6.086 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 514567612 AIEWKOWVIBQNHO-UHFFFAOYSA-N 458.518 5.317 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)Nc4ncc(Cc5ccc(C#N)cc5)s4)CC3)c[nH]c2c1 515415365 NNGMZXFIEQZCSW-UHFFFAOYSA-N 453.571 5.717 30 20 JKED C[C@H](c1ccccc1)n1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccccc1 515572641 QEMGVZXEBWVXOI-HXUWFJFHSA-N 453.571 5.203 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(OCC(F)(F)F)cc1 516322937 JTYDPJWIXOSLJP-SNVBAGLBSA-N 470.341 5.713 30 20 JKED CCc1ccc(CN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)cc1 516410518 FFASAVBKCVVBNQ-UHFFFAOYSA-N 467.569 5.024 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 517404004 ITPLRKJALQVLAT-FCHUYYIVSA-N 463.400 5.899 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 518129929 GCKAWXWDUNXMLR-MRXNPFEDSA-N 474.611 5.685 30 20 JKED Cc1c(Cl)cccc1Nc1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 519413118 BYUGQCNPJUUQAN-CYBMUJFWSA-N 490.079 6.369 30 20 JKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(OC)cc2)cc1 520196114 XTLPLZXNDSCMJL-DFBJGRDBSA-N 475.614 6.204 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccccc1SC[C@@H](C)C#N 520813454 HJNSHJWXDYZKGT-HNNXBMFYSA-N 457.024 5.817 30 20 JKED CCCC[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 522957324 UQYNDZQSPDHYLF-DEOSSOPVSA-N 461.610 5.407 30 20 JKED C=CCn1c(SCC(=O)Nc2sc(C)c(CC)c2C#N)nnc1-c1ccc(Cl)cc1 524105971 VMPUSRUVDQQWCR-UHFFFAOYSA-N 458.012 5.319 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc(Cc2ccc(F)cc2)s1 589043976 KGXXZSCBSFRUNI-VXGBXAGGSA-N 454.411 5.512 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2)cc1 589285068 CZNUCCZYHZRXIG-UHFFFAOYSA-N 481.577 6.035 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 591861815 FJKCLFDNYOEZNR-GQIGUUNPSA-N 482.005 5.608 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1cccc(Cl)c1 596343721 JMPAXDRAVXAXOV-SFHVURJKSA-N 468.026 5.663 30 20 JKED C[C@@H](Nc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 602385685 HXJWZRKCUNPMFY-OAHLLOKOSA-N 464.616 5.642 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccnc3N3CCCCC3)s2)c(C(F)(F)F)c1 603757505 NZIRFXYWGCXTCY-UHFFFAOYSA-N 471.508 5.262 30 20 JKED Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc(C)c1OCc1cccnc1 603897409 FKIGQTMILDXMOY-UHFFFAOYSA-N 455.436 5.343 30 20 JKED CC(C)c1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1-c1ccc(F)cc1 603921371 VDBKIYOHSGWPOK-UHFFFAOYSA-N 468.532 6.032 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)n2)cc1 603992214 KBXGXBMXRUIAHJ-UHFFFAOYSA-N 470.554 5.405 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc(-c3ccco3)nc21 604004080 XSWDJZRLTRCQAE-UHFFFAOYSA-N 491.551 6.170 30 20 JKED C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2[N+](=O)[O-])C1 604234732 MMJMAJLEXYTKTJ-KRWDZBQOSA-N 457.490 5.142 30 20 JKED Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N(CCC#N)C(C)C)cc2)c1C 608814307 LLJNMCBGSQJAJU-UHFFFAOYSA-N 455.624 5.166 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCc3ccccn3)Cc3ccc(F)cc3)cc2)cc1 608891991 WVXBRYUCTDPZOH-UHFFFAOYSA-N 466.516 6.161 30 20 JKED CCc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1 608928422 RBALNNBNCPUEPD-UHFFFAOYSA-N 457.524 5.049 30 20 JKED C=CCn1c(Sc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])nnc1-c1cccnc1 608972484 OKWOGAQKZGOYQO-UHFFFAOYSA-N 472.530 5.146 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 609078620 CZPYAYQNSVNCFU-DHIUTWEWSA-N 498.627 5.377 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 610927286 WCLSDEJPNKJSGY-FQEVSTJZSA-N 463.525 5.525 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3ncccc3c2)nnc1-c1ccc(Cl)cc1Cl 611930370 ZCTAWHFRWNXXOD-UHFFFAOYSA-N 470.385 5.717 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 612877856 GPSLXOHCQRAPHM-GFCCVEGCSA-N 498.823 5.518 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCC(=O)N1CCCC1)c1nc2cc(C(F)(F)F)ccc2s1 613404000 IVCBOJFTSBSSNZ-INIZCTEOSA-N 489.544 5.520 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404043 JDJHSFHPJMDFHB-MRXNPFEDSA-N 458.440 5.747 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301115 KBHCPZROFMREMW-QWRGUYRKSA-N 491.272 5.692 30 20 JKED CC(C)(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1csc(-c2ccccc2F)n1 622379144 JGFDTIBFRWSFAF-UHFFFAOYSA-N 454.411 5.570 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643160514 RCVKEBSYYKXXRG-ZIAGYGMSSA-N 465.413 5.196 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2[C@H](C)c2ccccn2)cn1 726118134 JNYDZBBCUBARNJ-HOYKHHGWSA-N 498.612 5.173 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3c(F)cccc3F)n2)c1 726216655 BMDCEHFJUKCZTN-INIZCTEOSA-N 469.513 5.197 30 20 JKED COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N(CCC#N)c2ccc(C)cc2)c1 726941992 NPSLPYFUOMGLSA-UHFFFAOYSA-N 483.977 5.018 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COc3cccc[n+]3[O-])c2C#N)C(C)(C)C1 727471691 CQXMBVOHHVTWSO-FPLPWBNLSA-N 477.611 5.419 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 728422245 FUJHRAJXJUSPHR-UUOWRZLLSA-N 483.597 5.237 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(Cl)cc1 728776621 CSUJVYCXOBFDPY-IBGZPJMESA-N 475.401 5.648 30 20 JKED C#Cc1ccc(C(=O)N(C2=NCCCS2)c2ccc(-c3nc4cc(C)ccc4s3)cc2)nc1 728806913 RLJUDOHYIWVQPR-UHFFFAOYSA-N 468.607 5.788 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3scnc3C)C2=O)cc1 729144754 FCOXZWYCWUHGKA-DHKQWSGOSA-N 484.672 5.411 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCc3c(C)cccc32)cn1 729631859 MBPYUSYPUHAWMN-GOTSBHOMSA-N 486.597 5.046 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729888311 JTDOFRJOXWHPAH-SNVBAGLBSA-N 453.734 5.831 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)c1 730526003 CZXRYXARGBSLHN-JOCHJYFZSA-N 463.559 5.011 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730944924 IFRFGVMOESRJGA-AOMKIAJQSA-N 480.540 5.390 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)c(C)c1 731078488 OOAUHMJPXXDNFQ-KRWDZBQOSA-N 479.627 5.925 30 20 JKED CC(C)(C)n1cc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)c(-c2ccccc2Cl)n1 731159388 PVALVAIEUHUNID-SDNWHVSQSA-N 457.983 5.226 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731303852 CCNDIAWOWAISSO-HSZRJFAPSA-N 459.571 5.448 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731304621 XROAGIYFUFLCDE-HSZRJFAPSA-N 487.606 5.767 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731307107 PMRCXUVYIMSICL-PKTZIBPZSA-N 493.535 5.318 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)c(Cl)c1 731307408 HLZZUPQBEAOJSF-NRFANRHFSA-N 498.967 5.049 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1cccnc1 731308721 MQNJLDKEHSGGRI-UZUQRXQVSA-N 474.586 5.071 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1C 731310848 RJQUUINQMFUJQW-OAQYLSRUSA-N 498.992 5.119 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cc(C)ccc1F 743525129 AKZBQSUOTHHMMC-GOSISDBHSA-N 476.371 5.043 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 745991585 ZRMMEOODDOXHAI-HXUWFJFHSA-N 485.396 5.549 30 20 JKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 747113515 ZROMCVIRWFIQNI-SDNWHVSQSA-N 498.608 5.005 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)NCCCN2c3ccccc3Sc3ccccc32)cc1 748220235 YIMPGRPYXZDGHQ-UHFFFAOYSA-N 491.638 5.187 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 749181271 HDUPGKLUGXSTRK-OAHLLOKOSA-N 476.346 5.004 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c1 799222801 JBUPZGFEGAIXHI-LJQANCHMSA-N 463.525 5.388 30 20 JKED Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)OCC(=O)c3ccc(C#N)cc3)c12 813388020 BOFIVNUGRKJZJT-UHFFFAOYSA-N 465.387 5.128 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3SCc3ccccc3)s2)cc1 818263053 CAHQCKJXMABZSS-UHFFFAOYSA-N 453.574 5.378 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837451223 UFXXPYZPFQQKMD-WZONZLPQSA-N 476.577 5.559 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@@H](C)Cc2ccco2)C1=O 914690251 OOMPEWNEBURNSJ-NYHFZMIOSA-N 499.539 5.158 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 915101085 CJMVFGSRFFDSEJ-LJQANCHMSA-N 478.961 5.721 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 915102301 VUHCAGPMOAQDMC-IBGZPJMESA-N 470.520 5.625 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CCc2ccc(C)o2)C1=O 915116787 PEBRHRAAVRNPRI-QFIPXVFZSA-N 498.004 5.453 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)/C=C\c2ccc(I)o2)cc1 915180615 QCYDPNWAFZRVDM-QXFGJRORSA-N 454.267 5.192 30 20 JKED COc1ccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2-c2ccc(Cl)cc2)cc1 915796107 YNEQKNBFZPIUAK-UHFFFAOYSA-N 491.020 5.501 30 20 JKED CC(C)N1C/C(=C\c2csc(-c3ccccn3)n2)C(=O)/C(=C/c2csc(-c3ccccn3)n2)C1 915981516 RBUUAKZMXHWLLJ-GDAWTGGTSA-N 485.638 5.484 30 20 JKED O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1ccc(N2CCOCC2)cc1 916138505 SVVNWVZECUTONY-RMKNXTFCSA-N 455.377 5.305 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccccc3)C2=O)cc1 916205159 HWYHLICPBNIWMF-HSZRJFAPSA-N 475.545 5.189 30 20 JKED Cc1cc(=O)oc2cc(OCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc12 916627859 APOWZOMRFREXBT-GOSISDBHSA-N 450.903 5.134 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916627921 DAZRCHYRYRFPCB-LJQANCHMSA-N 464.015 6.623 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c1 916697121 YFDAZLBYXLKJDZ-YHMQUTQNSA-N 482.650 5.166 30 20 JKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 916886652 IPEPMFJXKJDYEC-OAQYLSRUSA-N 466.509 5.455 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 916902719 GVKKGOHVFXPZSS-HXUWFJFHSA-N 469.545 5.358 30 20 JKED N#C[C@@H](C(=O)CCSc1ccccc1Br)c1nc2cc(Cl)ccc2s1 917046112 FOJOITSLKFDQCQ-LBPRGKRZSA-N 451.798 6.071 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c1 917670924 DOYPCOMETGPLJZ-WPFOTENUSA-N 494.636 5.030 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c1 917677562 UORSYBHIMQNTDF-XMMPIXPASA-N 486.572 5.475 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)s1 917704744 YFOFDRBFXOITSV-QFIPXVFZSA-N 492.601 5.482 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)Nc3cccc(-c4ccc(Cl)c(Cl)c4)c3)CC2)c1 918044566 QMGKWTQBFSAPSC-UHFFFAOYSA-N 452.345 5.281 30 20 JKED CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C(F)(F)F)cc1 918103606 GGTZUXCDWPXWIP-NRFANRHFSA-N 497.502 5.222 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2ccc(COc3ccccc3C#N)o2)cs1 919514809 WJMXCVLNKPVORW-UHFFFAOYSA-N 487.537 5.537 30 20 JKED CN(c1ccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F)C1CCCCC1 919662415 JGWNITAKJQIRHM-OKILXGFUSA-N 497.455 5.122 30 20 JKED O=C(c1cc(-c2ccccc2)nc2cc(F)ccc12)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919757240 QDZRXSRRRITNAS-HUUCEWRRSA-N 470.388 6.244 30 20 JKED COCCn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc21 920109556 QYAKRSZXPFBOTP-NRFANRHFSA-N 453.498 5.041 30 20 JKED C=CCOc1ccccc1/C=C1\SC(=S)N(C2CCN(Cc3ccccc3)CC2)C1=O 920472362 LTJANZRGTHQPSF-QJOMJCCJSA-N 450.629 5.117 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OCC(F)(F)F)cc2)cs1 920480491 GEZOUVJUBBUANS-KPKJPENVSA-N 460.477 5.973 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)C2)C1 1781148186 ZSNAJYVKARJUTL-RBTNQOKQSA-N 498.067 5.064 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](F)c3ccccc3)cc2)CCC1 1786612011 SGCOJIKHWWXROC-XZOQPEGZSA-N 495.595 5.301 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccccn3)cc2)CCC1 1786961078 LLYYAPFDHURALI-UHFFFAOYSA-N 461.682 5.199 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)CCC4CCCC4)cc3)CCC2)c(C#N)c1 1787618286 JVYKMFITMCPGLE-UHFFFAOYSA-N 459.590 5.214 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5c(Cl)cncc5s4)cc3)CCC2)cc1 1788312017 HQKBQPDFDFFHJG-UHFFFAOYSA-N 486.984 5.883 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)CCCC5=O)cc3)CCC2)cc1 1789041167 DXIFJGGEWKPEER-UHFFFAOYSA-N 477.564 5.333 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)ccc1F 1789328177 WHAGYSMPOCABNQ-UHFFFAOYSA-N 478.527 5.236 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)cc1C#N 1790207842 SJEFLSOEPINNQH-UHFFFAOYSA-N 477.948 5.653 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)ccc1O 1790310477 FNXOFAWYHCBHMD-GOSISDBHSA-N 469.541 5.089 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](NC(C)=O)c3ccc(F)cc3)cc2)CCC1 1790363518 YKAVLRLQEGTZEU-XMMPIXPASA-N 479.596 5.129 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3cc4cccnc4cc3F)cc2)CCC1)C(F)(F)F 1790477216 MAHSALGCNNYSJM-UHFFFAOYSA-N 471.454 5.169 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)cc2)CCC1 1790692112 IBIBNKZLFVSWTP-LJQANCHMSA-N 493.604 5.372 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)c1 1790763666 DEMWCVDNDMFKPV-UHFFFAOYSA-N 458.518 5.302 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)C4(c5ccc(C(F)(F)F)cc5)CC4)cc3)CCC2)CC1 1791542198 FYIGWSSJYQEYFF-UHFFFAOYSA-N 467.491 5.175 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)COCc3ccc(OC)cc3)cc2)CCC1 1791684459 OIKNEKLPYYHYAK-UHFFFAOYSA-N 462.590 5.114 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](N)c4cccc(Cl)c4)CCC3)cc2)c1 1792122070 AIRAQOZEZHPZMB-BVZFJXPGSA-N 487.003 5.415 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn(C)c5ncccc45)CCC3)cc2)c1 1792124810 JHQZEDRCWCIPGN-IBGZPJMESA-N 477.568 5.262 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3OC)cc2)CCC1)C(F)(F)F 1792146135 PEPDZXCPAIYJSR-UHFFFAOYSA-N 452.860 5.215 30 20 JKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)[C@H](S)C(C)C)CCC3)cc2)c1 1792192613 LKLCNBLUFHYGOZ-OAQYLSRUSA-N 474.026 5.001 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC1)C2 1800175839 RYTKIWNDHDVZIA-KIHHCIJBSA-N 491.717 5.459 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ncsc23)[C@H]1c1cccnc1 1802495834 FZJCYGVEYHGJTI-KNQAVFIVSA-N 462.619 5.003 30 20 JKED N#CCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1806289994 MLDVIPSBUKMAPQ-UHSQPCAPSA-N 474.649 5.365 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1806591942 XHKOKFCJJHMNKG-XUZZJYLKSA-N 487.566 5.341 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807836483 VBAFDTZKQCZZFH-LSYYVWMOSA-N 496.655 5.764 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809209901 PEJVABJLYDFQCG-RDPSFJRHSA-N 494.060 6.038 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1810271046 CISGQYZQLIOGHA-RDGATRHJSA-N 482.100 5.106 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 1810961281 XQTJZXPVKLZXDT-YSSFQJQWSA-N 499.986 5.028 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1811057060 RWXDYQXPSIQOQF-JBRSBNLGSA-N 486.641 5.293 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811216791 BFMYHZIGYSHJIF-YADARESESA-N 493.394 5.202 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@H]1c1cccnc1 1811274551 UVXHJLZFPSTRDW-NDIWIEOSSA-N 482.584 5.355 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811419612 IFUKPOQBPHUVAQ-YADARESESA-N 493.394 5.202 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1812673124 OTBRCMHSCZEFRT-LIRRHRJNSA-N 486.321 5.059 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1813051361 XCBQZQPRBRFSAE-NVQXNPDNSA-N 478.036 5.056 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)c(F)c2)n[nH]1 1817766697 QBNBUODOFKKUAI-OPAMFIHVSA-N 479.531 5.268 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165112 CMBNEARCZDOSEO-NRFANRHFSA-N 478.980 5.823 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)n[nH]1 1820212685 LCHLCJPYJFKMGB-HSZRJFAPSA-N 490.007 5.209 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccccc3Cl)[nH]n2)c1Cl 1820219325 QLRZHGIZLQGQEU-HXUWFJFHSA-N 482.371 5.137 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)[nH]n2)cc1 1820547350 LPYCROFGDIHRRX-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821524277 ALBGOQAGBDJTQH-HXUWFJFHSA-N 466.607 5.222 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1)C(F)(F)F 1821995509 VCGCODGZYMTRIK-OAQYLSRUSA-N 468.479 5.501 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C)c2Cl)n[nH]1 1823142120 YCWMULDRDQCLAD-KDOFPFPSSA-N 480.396 5.132 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)[nH]n2)c1 1823212479 UQODVVKAGGLTSA-BEFAXECRSA-N 457.525 5.024 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)c1 1823218760 WJWMBVSZRNYWKK-KSFYIVLOSA-N 495.505 5.675 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)[nH]n1 1823421871 HKQSHSKOEBVEBM-LBNVMWSVSA-N 491.680 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2SCC)CC1 1823658509 MVWHBRRUSWDNCW-QHCPKHFHSA-N 455.668 5.195 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2ccc3c(F)cccc32)CC1 1824138066 UZLVQTKYMVTAOY-VWLOTQADSA-N 465.613 5.169 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824226118 JRRQBRVLVVVYGS-RPLLCQBOSA-N 477.649 5.107 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@@H](S)C(C)C)CC3)c[nH]2)cc1 1824536136 ZJHAZJAJPLSVEQ-DQEYMECFSA-N 467.679 5.178 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cc(Br)ccc4c3)CC2)CC1 1826682622 CJPZNQXKRJXFOM-HSZRJFAPSA-N 494.433 5.139 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827337320 WGLHCQIZTPBSDU-SANMLTNESA-N 457.618 5.094 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1)c1cccs1 1827682764 KXJCEIJBPBWTEC-GLCJEOIMSA-N 493.654 5.030 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccccc3n2)CC1)c1ccccc1 1828006293 ANLYUZAZOTWZTQ-IRPSRAIASA-N 494.639 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1828820896 HAUOVAXVHNYCMG-JVYGEBFASA-N 464.650 5.187 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)CC2)c2ccccc12 1829781444 QWWOOSBYZJINNI-NDEPHWFRSA-N 482.628 5.214 30 20 JKED COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1829987838 PHJJAHPCWZQLEV-XMMPIXPASA-N 499.533 5.133 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830418262 RYGMORDFFTUGHB-WNCULLNHSA-N 492.664 5.128 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830737495 UOSGHPHCTGTZHW-MGPUTAFESA-N 486.415 5.167 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1830766890 SMGISLQKIGXGQH-VWLOTQADSA-N 481.999 5.135 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1831446407 LDCVZTYFMAHNIK-LJQANCHMSA-N 458.471 5.150 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1831860383 QTZSPXUOQYWUBP-RUZDIDTESA-N 452.545 5.441 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2c(C)cccc2C)CC1 1832030390 LVEHFVHJHGKADB-XMMPIXPASA-N 454.680 5.209 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)CC2)c1 1832631310 CJJTXKXMKPGQOR-AOLGGSBGSA-N 498.627 5.065 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1 1832633714 MYTWAZALQFYMSP-KMRXNPHXSA-N 495.627 5.251 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634335 PSSZQKXXICOAKU-DFBJGRDBSA-N 479.571 5.447 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1832634692 YRFJRLOEUODMRD-KBMIEXCESA-N 497.561 5.880 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1832664506 YNGZSAKHOBSKKU-XMMPIXPASA-N 494.035 5.086 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1832671417 MABPSSHZAKURAZ-DEOSSOPVSA-N 480.008 5.076 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)CCSCc3ccc(C)cc3)CC2)CC1 1836698035 PXZMDMVWCGEUFL-UHFFFAOYSA-N 498.733 5.385 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc5c4CCCC5)CC3)CC2)c1 1838822612 XLKNFGLYAVXHQH-QFIPXVFZSA-N 499.655 5.118 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)C1 1844626834 QOZIXJRHLXRLQI-QHCPKHFHSA-N 453.586 5.192 30 20 JKED Cc1ccccc1OCc1nnc(SCC(=O)OCc2ccc(C#N)cc2F)n1-c1ccccc1 11219158 NPSVCYUGZVMUDG-UHFFFAOYSA-N 488.544 5.001 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2CCc2ccccc2)cc1 12746038 NENUEIBUHQMLHV-LJQANCHMSA-N 483.597 5.187 30 20 JKED C=CCN(C(=O)c1oc2ccc(CCC(C)=O)cc2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724065 LRHXMGJXGKCRLR-UHFFFAOYSA-N 489.553 6.127 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 15848651 FMQGZXAIVTZUDS-OLZOCXBDSA-N 475.586 5.166 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)n1 16751267 PWECQEBECLIFQQ-QGZVFWFLSA-N 459.449 5.247 30 20 JKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(C#N)cc2)cc1 18274823 DEHAOLYUFFSOCB-UHFFFAOYSA-N 454.555 5.103 30 20 JKED COCCn1c(SCC(=O)c2ccc(C#N)cc2)nc2scc(-c3ccccc3Cl)c2c1=O 19051785 AWPMEVIUIWCPQF-UHFFFAOYSA-N 496.013 5.271 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 21668303 MWBODRSNAJLMGW-CQSZACIVSA-N 480.487 5.320 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1F)[n+]1ccc(Cc2ccccc2)cc1)c1cc(F)ccc1F 22696144 XIUSSVVEKAGWIS-UHFFFAOYSA-O 477.531 6.033 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730228 DZIYWHLNDXZWAQ-UHFFFAOYSA-O 495.668 6.631 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)NCCc2ccc(OC)cc2)cc1 22802137 YFMOIUKFJQDMCL-UHFFFAOYSA-O 498.466 5.079 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 23517660 SIJWCVLPAOGWTQ-JXFKEZNVSA-N 485.009 5.366 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccc(OC)cc1 23998333 UJWAGLYVADKOBC-HNNXBMFYSA-N 474.989 5.071 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 78714244 PWGJRHFICBOFDE-LJQANCHMSA-N 456.571 5.648 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)n2)n[nH]c1=S 116802527 HTIDROSVPMBGDD-UHFFFAOYSA-N 490.639 5.703 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1 410074918 NKRVYQWMSQXWHD-UHFFFAOYSA-N 464.594 6.303 30 20 JKED C=CCN(C(=O)c1cc2c(s1)CC[C@H](C)C2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491078361 VQFHQYSABILBMS-HNNXBMFYSA-N 472.657 5.233 30 20 JKED C=CCN(C(=O)c1cc(Cl)sc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491086226 OGEZVZMSKWOJAM-UHFFFAOYSA-N 473.428 5.415 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(N2CCCCC2=O)c1 502676291 AFXKSTPXDLIANE-UHFFFAOYSA-N 460.347 5.325 30 20 JKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 505050887 GXGVSIUTTMNVSW-QHCPKHFHSA-N 460.965 5.912 30 20 JKED CCc1cc(C#N)c(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)s1 511106731 CZTGUJMFFFGMIC-UHFFFAOYSA-N 454.349 5.449 30 20 JKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccccc1C(F)(F)F 512764022 ZTVUEDRCLPNFOW-ZDUSSCGKSA-N 457.477 5.840 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 513865940 LYNNUPOCFHWQNE-UHFFFAOYSA-N 484.600 5.532 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cc(F)c(Cl)cc1Cl 515398897 MENOIFRMPJVIIU-AWEZNQCLSA-N 486.330 5.399 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1 515652187 ALEUDSNPSQDOMS-UHFFFAOYSA-N 471.941 5.269 30 20 JKED Cn1c([C@@H]2CCCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)nc2ccccc21 516628949 CQBUYKQQJNCSNS-SANMLTNESA-N 450.542 5.391 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516713651 FAFYVKAKTDSPCV-IBGZPJMESA-N 486.553 5.933 30 20 JKED COc1ccccc1[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1 518162860 MRNSIDWFJDIOIX-QFIPXVFZSA-N 487.610 5.622 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)cc1 519056845 QYPBGTPCEUBGFY-UHFFFAOYSA-N 479.496 5.325 30 20 JKED CCCN(Cc1ccccc1Br)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520179029 KYQNOAAYIFOCGN-UHFFFAOYSA-N 492.417 6.538 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nc2ccccc2c1=O 520355618 CSMLNKZQWMMXMZ-UHFFFAOYSA-N 454.349 5.292 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc(-c5c(F)cccc5F)cs4)cc3)o2)c1 520432133 OYEHENQTDWFPQJ-IBGZPJMESA-N 498.514 6.604 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 520754365 RFROPBKAPDFCTQ-UHFFFAOYSA-N 476.421 5.044 30 20 JKED COc1cc(OC)c2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)[nH]c2c1OC 524119924 QZJVBWVELOYZLH-UHFFFAOYSA-N 471.513 5.205 30 20 JKED COc1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)n2)cc1 524389619 SEJAJKWWYYVSAY-UHFFFAOYSA-N 488.931 5.421 30 20 JKED COc1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C(F)(F)F)c1 579027435 GYZHCAPNNPJGJE-UHFFFAOYSA-N 499.514 5.246 30 20 JKED C=CCOc1c(Br)cc(CNC2(c3noc(C)n3)CCCCC2)cc1OCC 589840284 BIGGEIVPYOYXIJ-UHFFFAOYSA-N 450.377 5.053 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(COc4ccccc4C#N)o3)c2)cc1 604001261 OJEQIHYCPXAJGW-UHFFFAOYSA-N 465.509 5.221 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 604135667 QKLWYRUVQHHYDX-AREMUKBSSA-N 455.558 5.174 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)c3occc3COc3cccc(C#N)c3)c(C(F)(F)F)c2)n1 608805961 XJLROZIIBOAGPT-UHFFFAOYSA-N 494.473 5.482 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 608938292 YRDDTALRCIQNSA-UHFFFAOYSA-N 482.584 5.040 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc3sc(Nc4ccccc4C)nc3s2)cc(OC)c1OC 609007221 JBJYFALQZNYCHS-INIZCTEOSA-N 494.598 5.430 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 609062073 VIUDZIZSDJYSLM-UHFFFAOYSA-N 488.594 5.397 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 609433914 KHNCBZBJXOMYGN-HXUWFJFHSA-N 479.544 5.416 30 20 JKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1OC 609435481 QNSFRWJHSYYWCX-AUSIDOKSSA-N 475.614 6.204 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc2cc(Cl)ccc2s1 613407030 DJCITIJUBICDFI-CQSZACIVSA-N 454.889 5.392 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nc2sccc2c1=O 613442774 HZPNGOJVMSSSSE-OAHLLOKOSA-N 483.615 5.195 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1-c1ccco1 614512166 NGNVSBZNTHDZPX-UHFFFAOYSA-N 451.577 5.466 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccn2)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 614976145 IJWNAJOSXARFAB-UHFFFAOYSA-N 493.995 5.644 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CCC)CC(F)(F)F)c1 618126565 JTTWOYONWUQLIA-UHFFFAOYSA-N 474.932 5.136 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)ccc1Cl 619714453 YDUNCLNSFANZSF-UHFFFAOYSA-N 491.798 5.500 30 20 JKED Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2C(F)(F)F)c1 620304624 WHYZPEQSZHZXIG-CQSZACIVSA-N 488.441 6.091 30 20 JKED Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)CC2 622572110 XIGZNANCJNHNNL-SECBINFHSA-N 469.332 5.168 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N(CC)c1ccccc1 645079423 CCHCACNIVCERGT-KRWDZBQOSA-N 456.999 5.230 30 20 JKED CN(CC#N)Cn1nc(-c2ccccc2Br)n(-c2cccc(C(F)(F)F)c2)c1=S 725772449 QFTSALORKLKCPI-UHFFFAOYSA-N 482.329 5.264 30 20 JKED Cc1oc2c(CN3CCN(c4ccccc4C#N)CC3)c(O)ccc2c(=O)c1-c1ccccc1Cl 725774312 HLEKCVAGCRKYDJ-UHFFFAOYSA-N 485.971 5.321 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@@H](C)OC)c1 726395825 BRNUZJILVJLMIW-VFNWGFHPSA-N 490.025 5.042 30 20 JKED Cc1ccc(CN(C(=S)Nc2ccc(C#N)c(Cl)c2)c2ccc3c(c2)OCCO3)s1 726456996 JNHHLGJDQWNQQM-UHFFFAOYSA-N 455.992 5.756 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 728031821 DIJYKLFXSYJRJQ-UHFFFAOYSA-N 467.550 5.728 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)cn2)c1 728150140 OWVGWMIYSAOVAH-OAQYLSRUSA-N 480.446 5.067 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)cc1C 728776343 PRMOBLCLSGUQPB-HSZRJFAPSA-N 477.634 5.024 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)c1 728776440 BQIPBVNOBDBDBN-QHCPKHFHSA-N 477.634 5.024 30 20 JKED CC(C)(C)C(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 729070944 VETDKKHBUYOZGG-XJKSGUPXSA-N 464.418 5.578 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)cc1 730720006 MTKULJLSBFYJRJ-QFIPXVFZSA-N 462.575 5.014 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2cocn2)C1=O 730726185 BWIBFURREBHCAQ-JOCHJYFZSA-N 497.020 5.920 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730967282 YHUBRWBXVUNCPO-UHFFFAOYSA-N 451.304 5.080 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730993825 CXLSUOASCFANDB-UHFFFAOYSA-N 465.497 6.310 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731116902 KCFUVIWVWHNRPN-RKVPGOIHSA-N 470.429 5.190 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2c(F)cccc2F)C1=O)Nc1cccc(O)c1 731306045 JRZAZZITISZVLS-JOCHJYFZSA-N 499.514 5.013 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 732766815 XFGOQTVWPWKRLH-UHFFFAOYSA-N 490.585 5.111 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N([C@H](C)c2cccnc2)C1=O 743524513 JZXXXAAUIMCVOD-UZUQRXQVSA-N 492.576 5.259 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)nnc1-c1ccco1 745950227 ZOFXRAZOSOAMNI-GVMKUJSRSA-N 493.658 5.451 30 20 JKED COCCCn1c(-c2ccccc2Cl)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S 746032992 HMVANGQAELBDAO-UHFFFAOYSA-N 470.042 5.511 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccccc1 747603811 YIKNOUYYTKHWOC-GOSISDBHSA-N 491.425 5.610 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1-c1ccccc1 750912249 VCRWTRASIPYFQO-HSZRJFAPSA-N 457.530 5.086 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(CCc2ccc3ccccc3n2)C1=O 750912812 XVXGQRNJUKAKLP-AREMUKBSSA-N 494.620 5.212 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@@H](COCC(C)C)c2ccco2)C1=O 750916675 OEOWFIBMALWQJM-PKOBYXMFSA-N 498.432 5.068 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 799212157 VUXSRWOULXXEGZ-KRWDZBQOSA-N 494.495 5.043 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(CC(F)(F)F)C2=O)cc1Cl 799216150 UCMRIUHLQNWNRD-KRWDZBQOSA-N 485.915 5.180 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3cccc(Oc4ccccc4)c3)nc(O)c2C#N)cc1 824932217 LNFCCRKLLGJKIA-UHFFFAOYSA-N 484.537 5.253 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2cccs2)C1=O 837382251 VDRJRBWXWPPCJB-OAQYLSRUSA-N 465.600 5.226 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)c3cccnc3)C2=O)cc1 838537873 DEJRPEWNBMMCGU-OPAMFIHVSA-N 480.540 5.390 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1F 838570039 AJDCUFWGZWGLKK-KRWDZBQOSA-N 471.451 5.354 30 20 JKED Cc1cc(CSc2ccccc2C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)on1 838795150 BRLQOBQVQMTQLA-UHFFFAOYSA-N 469.950 5.032 30 20 JKED CCN(C)Cc1cc(O[C@H]2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C2)ccn1 856632399 NVBODJJVPMUNAY-VWLOTQADSA-N 490.991 5.144 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(OCc3cccnc3)cc2)no1 904468523 BPRCSTQYHHJGBE-LJQANCHMSA-N 456.930 5.419 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N([C@H](C)Cc2ccco2)C1=O 914690738 DEJISNLPYLCCPI-WZONZLPQSA-N 477.586 5.188 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC(F)F 915353198 LWENIZCEUALAAN-OAQYLSRUSA-N 451.473 5.616 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)cc1OC 916204254 BCUKCKPXJGQWRJ-DEOSSOPVSA-N 489.597 5.173 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCCC2)C1=O 916211982 SQQLNNVTOSLYSV-HXUWFJFHSA-N 457.983 5.252 30 20 JKED COc1ccccc1Nc1nc(Cl)c(C=Nn2c(S)nnc2-c2ccccc2C)s1 916542574 QIQUJXUGAOVLJU-UHFFFAOYSA-N 456.984 5.287 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1Cl 916684272 WAGNPLZZHSSBPV-AHWVRZQESA-N 459.977 5.973 30 20 JKED N#C[C@H](C(=O)CCSc1ccccc1Br)c1nc(O)c2c3c(sc2n1)CCCC3 916847180 MZVLVAFGVSRPBI-CYBMUJFWSA-N 488.432 5.397 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C2SCCCS2)cc1 916885679 AHFJENVJNYIIBJ-QGZVFWFLSA-N 464.584 5.831 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2)cs1 916937392 DIQLWAIZIDNAIY-KRWDZBQOSA-N 459.955 5.498 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c(-c4ccc(F)cc4)c(C)sc3=O)n2)cc1 916975296 XFQPHCAKBCRCFE-IBGZPJMESA-N 463.559 5.333 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1)c1nc2cc(Cl)ccc2s1 917047065 QECJJOJSPBDVTE-INIZCTEOSA-N 492.969 5.080 30 20 JKED O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CC2(C/C1=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc12 917517852 MDCJYTPDXIYUSC-IWGRKNQJSA-N 481.464 5.223 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(Cl)cc2)cc1 917678740 GJNUAEYGCYCGSD-JOCHJYFZSA-N 492.963 5.511 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cccc(OC(C)C)c2)C1=O 917679894 XBSKFLBVIJOPAX-LJQANCHMSA-N 480.417 5.048 30 20 JKED CN(C)c1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)cc1 918039257 DZLSAFOYIBFFAQ-UHFFFAOYSA-N 454.574 5.594 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1 918482754 BQPQLIWCCNRAAU-HSZRJFAPSA-N 493.357 5.582 30 20 JKED C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918546509 BKOSDPDIBLCRHU-JMBSQFONSA-N 477.030 5.158 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1=S 918733962 BWYIBXUFNDQHLR-HOTGVXAUSA-N 464.479 5.596 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)c4scnc4C)c3C#N)C(C)(C)C2)o1 919164765 RZPIPWXUAPAVKK-SOFGYWHQSA-N 493.610 5.860 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cc(C)on2)c(Cl)c1 920355353 KVHYJUUKIGAILE-OAQYLSRUSA-N 497.020 5.091 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2c(C)noc2C)cc1 920356117 NZMBDCZBGDZDEV-NRFANRHFSA-N 498.992 5.114 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(CC)c3)N(Cc3cc(C)on3)C2=O)cc1 920358010 XGFKQMVYQULNTI-HSZRJFAPSA-N 492.601 5.105 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 920790201 RQFYYLZZXPCZQQ-INIZCTEOSA-N 494.775 5.183 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)COCC(F)(F)F)c1 921252318 HDHIMIHZIPIBJM-BEFAXECRSA-N 497.514 5.062 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC(F)(F)C4)cc3)CCC2)c1Cl 1785802516 ICEMCEHGFJBQCR-HNNXBMFYSA-N 457.908 5.395 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccco4)cc3)CCC2)ccc1Br 1786903343 NFUXNIGIFPTMKJ-UHFFFAOYSA-N 492.373 5.294 30 20 JKED CC(C)c1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)co1 1787028286 WJRDJENTUMQTSA-UHFFFAOYSA-N 462.937 5.385 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789147703 GJCPKADPOAVTKB-LXFBAYGMSA-N 495.664 5.536 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(OC)cc34)CCC2)cc1 1789454092 PTUPFAKRRKSOPC-JOCHJYFZSA-N 457.574 5.693 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c4nncn4c3)cc2)CCC1 1789483039 ARUIYFHVCJBWQK-UHFFFAOYSA-N 465.985 5.123 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1789577437 ZHOBCCYAABWNPJ-NJGNLAFQSA-N 496.611 5.211 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)CCC1 1790675764 GFDGNARMEXSATG-UHFFFAOYSA-N 475.633 5.407 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)CCC3)cc2)c1 1790764178 ZULZPHDXWZLJPH-DSITVLBTSA-N 483.568 5.333 30 20 JKED Cc1occc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785644 ZIAUYZVAOITSJD-UHFFFAOYSA-N 467.447 5.540 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)CCC5CCCC5)CCC4)cc3)c2c1 1790835786 JIBXEMDAWKZAKE-UHFFFAOYSA-N 455.562 5.153 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3Cl)CCC2)cc1 1791300379 CAGZEAOHXOCBAJ-UHFFFAOYSA-N 454.304 5.348 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)CCC2)cc1)C(F)(F)F 1791302653 RRVPFILGYZXOMV-UFYCRDLUSA-N 458.505 5.127 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[S@](=O)C(c3ccccc3)c3ccccc3)CCC2)cc1 1791585858 QPBKHONKSZBDFA-DHUJRADRSA-N 486.637 5.235 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3[N+](=O)[O-])CCC2)cc1 1791730260 VUIKPZFTEJUGRH-UHFFFAOYSA-N 465.575 5.015 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Cc4ccccn4)cc3)CCC2)cc1C#N 1791765526 CHJQWRVGZJGUCO-OAQYLSRUSA-N 496.611 5.367 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(C)n1 1791772862 WUOVIIUCUJUCIZ-UHFFFAOYSA-N 466.585 5.145 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)c1 1792123996 XJMZYHWEVJZAPY-KRWDZBQOSA-N 492.501 5.789 30 20 JKED Cc1cc(C)n2ccc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@@H](C)C#N)c5)cc4)CCC3)c2n1 1792127154 RCSJCVRDUASOLO-IBGZPJMESA-N 491.595 5.640 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCCC1 1795403979 JVLSQPIOZRPMHB-KIHHCIJBSA-N 491.717 5.459 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(-c2ccccc2)s1)c1ccccc1 1798949133 QJVOWPWXUYSWGF-NDBXHCKUSA-N 483.637 5.259 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C#N)c1Cl)C2)c1ccc(F)cc1 1802147997 SDPFCRRBCIBNED-KGSLCBSSSA-N 467.972 5.042 30 20 JKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C)C2 1802303597 DDXDNEVQNIRHIY-KIHHCIJBSA-N 489.701 5.072 30 20 JKED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1802995530 SPXMRANALPUNQV-WJCNIZOSSA-N 489.660 5.125 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1806089618 WMDZCGXXOAWELJ-ZJSXRUAMSA-N 474.630 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1806681268 IPQQHULQZLGTOW-RDGATRHJSA-N 468.041 5.366 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810957365 ZHHYGYHDNGVJDV-DNVFCKCGSA-N 489.513 5.328 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc4c(ccc5ncccc54)s3)[C@H]2c2cccnc2)C1 1811279702 GHBOBDIBYIQAMM-AFMDSPMNSA-N 482.609 5.130 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811788983 QQVOKDZXZLKOMV-VGSWGCGISA-N 492.422 5.840 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1812439408 AQXAPXCASNMNAA-TZBSWOFLSA-N 480.052 5.463 30 20 JKED Cc1ccc(C)c(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1813773155 NQQSCRPESOAWDP-SQHAQQRYSA-N 475.709 5.069 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2OC)[C@H]1c1cccnc1 1813912673 MSVIRNMWSRGISB-DENIHFKCSA-N 470.013 5.056 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1815245131 GGHRJAMLDLYCHW-DVECYGJZSA-N 491.617 5.411 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(OC)cc2F)n[nH]1 1818925665 SNDNTODBAOUKDK-JOCHJYFZSA-N 470.589 5.175 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1819365781 RVNAQIWAKWBBII-ISKFKSNPSA-N 488.588 5.081 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)n[nH]2)C1 1820108001 PGRQTIWTQVPQHV-DEOSSOPVSA-N 480.572 5.225 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC(F)(F)F)cc2Cl)n[nH]1 1820186889 GHXLZIPJOLZJBO-LJQANCHMSA-N 496.917 5.114 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820238244 IYPIDSOLGWJSRJ-UUOWRZLLSA-N 491.567 5.323 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)n[nH]1 1821788756 VOPSGCDKMDBHHV-PGRDOPGGSA-N 488.554 5.504 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2OC)n[nH]1 1821792652 XTIISEKZNMTVQB-PZJWPPBQSA-N 471.001 5.075 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)[nH]n1 1821917302 SMKNKZYRIRVASY-RPMAOODUSA-N 474.605 5.329 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)n[nH]2)CCC1 1822287472 KXQZMQPAOBJFTF-LJQANCHMSA-N 486.403 5.134 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1)c1ccc(F)cc1 1822288439 NYQLHUDKSATAEK-ZCYQVOJMSA-N 473.552 5.166 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)[nH]n1 1822404798 YEIMRUVYWJDYEU-QGZVFWFLSA-N 490.789 5.189 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823217772 XIBRZKXCOWNWRC-GAJHUEQPSA-N 459.525 5.104 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1823422814 PDYRIMQZAXTUFC-AVRDEDQJSA-N 477.996 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824208273 LOFMDBSQKROIFR-GOTSBHOMSA-N 489.701 5.068 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1824540635 MKVDIAWBYQDJII-RDGATRHJSA-N 495.714 5.637 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccc(C)cc3s2)CC1 1826202790 SELBUHFQQOLBLA-JOCHJYFZSA-N 451.636 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCc3cncc(C(F)(F)F)c3)sc2C1 1826557613 LEINNUKBFCDYBH-QGZVFWFLSA-N 494.583 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827713443 HKWOVQWKABHLRL-DEOSSOPVSA-N 477.649 5.876 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)cc1 1828294609 DRLNVOPXLBLIAR-VWLOTQADSA-N 474.992 5.240 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1 1828340038 YSAYYHMWIBBNMB-MHZLTWQESA-N 489.685 5.211 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360766 OAHOXONTPSZRKU-VFUOJUBFSA-N 485.575 5.021 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1 1828821863 SPAUJRZYDSTQHD-XNMGPUDCSA-N 459.634 5.165 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(C)oc2C(F)(F)F)CC1 1828824669 NXHXLFBMSARIGC-RTBURBONSA-N 467.532 5.004 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1828850646 VOINAEGGWPOUGV-XXAUWVGASA-N 472.633 5.048 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829571101 XNPMXXNDRKDDNK-QHCPKHFHSA-N 491.657 5.376 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830408198 IPSAUXCJAVUUNK-VWNXMTODSA-N 476.702 5.501 30 20 JKED Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1830502125 JIKPACRHKPPUEW-XMMPIXPASA-N 494.433 5.176 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601991 NBKBXRLODFJKAV-OUTSHDOLSA-N 499.655 5.121 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc1 1830676737 WOMWEPFORPDMCC-MUUNZHRXSA-N 480.612 5.409 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)c1 1830718876 NPEQVVKHCBGXEO-RUZDIDTESA-N 494.010 5.316 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1830738917 XVVIAGVCRXYQSM-IBGZPJMESA-N 483.943 5.001 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1830765382 MBKJJVIBCOMVKC-WHVGEVHXSA-N 477.555 5.092 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(O)cc3Cl)CC2)c1 1830770999 PHELNRJQIDZFOY-AQBQYSGMSA-N 492.019 5.172 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F 1831451605 XPOYUZFTLVKHBP-MRXNPFEDSA-N 497.867 5.106 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)CC1)C(F)(F)F 1831453799 LCZSDXORJVUJDZ-MRXNPFEDSA-N 479.326 5.051 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)CC1 1831849432 VXJWPWXVZJQXGP-RUZDIDTESA-N 481.040 5.075 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[C@@]23CN(Cc2ccccc2)C[C@H]3C)CC1 1831854063 QKRSMVIALYJHNF-YBXPBZDNSA-N 491.720 5.121 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1831858848 OMEBSNRTNPMFCP-LJQANCHMSA-N 475.452 5.473 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)c1 1832630807 NDEGJYBJEGOINR-AFMDSPMNSA-N 479.571 5.068 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2)CC1)NC(=O)OC(C)(C)C 1832753593 DWAGRDGPIBEGKX-LOSJGSFVSA-N 497.680 5.088 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)CC1 1836697820 ISJRNFUUHFDZII-UHFFFAOYSA-N 496.545 5.225 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1844356828 VHMYJOZZDPNIBC-UHFFFAOYSA-N 461.631 5.706 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CC2(CCCN2C(=O)c2cc(F)ccc2C(F)(F)F)C1 1846890045 DXBVQRCWMZIYLC-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2OCC)c1 3472629 AVDMTNCCFWNXKL-UHFFFAOYSA-N 470.978 5.372 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 9072073 AVQSGTHAYBRNEB-UHFFFAOYSA-N 460.390 5.311 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccccc1 9334315 JCZPLFGPZSPARH-DEOSSOPVSA-N 454.599 6.220 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1C 10170403 KMMMVVINKAEKNT-UHFFFAOYSA-O 482.629 5.763 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 14872000 BQYQEBZDNWPTLW-UHFFFAOYSA-O 452.043 6.538 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nc2scc(-c3cccs3)c2c1=O 16986880 PTMGONFDQHJZBI-LBPRGKRZSA-N 489.594 5.770 30 20 JKED C=CCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1)Cc1cccs1 19540609 XOGSRGQJHUXCKG-OAQYLSRUSA-N 481.643 5.193 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 21121686 VRGOSALFFUXNGJ-VWLOTQADSA-N 488.588 5.963 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2scc(-c3ccccc3)c2c1=O 28380698 UBSSCZNLSIDTGL-UHFFFAOYSA-N 475.595 5.244 30 20 JKED CCOc1ccc(N/C(S)=C(\C(=O)c2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 28778103 UEXZKGSPMHWHSD-UHFFFAOYSA-O 461.651 6.338 30 20 JKED CC(=O)c1sc(/N=C(\O)c2sc(Cc3ccc(F)cc3)nc2C)nc1-c1ccccc1 33151844 BWSCVWYJICMICK-UHFFFAOYSA-N 451.548 6.144 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)CC1 46705693 XULUKSMLNOGJKX-JOCHJYFZSA-N 476.533 5.129 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(O)cc2)CC3)cc1 95547459 SSLXNKWIMWOLNA-HKWRFOASSA-N 475.504 5.094 30 20 JKED COc1cc(/C=C\C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)ccc1OCC#N 96033008 WAUHHQRVXVXCFY-WQLSENKSSA-N 457.917 5.369 30 20 JKED CCOC(=O)c1sc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)c(C#N)c1C 107835844 NTJIAFAEWSTXTD-UHFFFAOYSA-N 489.347 5.292 30 20 JKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 115474957 SHJBUYTWGCXVBM-XMMPIXPASA-N 456.546 5.354 30 20 JKED O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 195748678 KVZMQWBSHHYWFA-UHFFFAOYSA-N 458.293 5.443 30 20 JKED N#CCCSC1=N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)F)cc1 206804029 UVSQGYPXDRKKKE-YVLHZVERSA-N 468.312 5.985 30 20 JKED CC(C)n1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc2c1=O 247974366 FBKQAJZHOLFLRH-GOSISDBHSA-N 460.584 5.069 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 303013481 RMHRQEMLADSJNJ-UHFFFAOYSA-N 458.543 5.363 30 20 JKED CC(C)(C)C[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(F)cc1 409514163 PWTZYMLJAVNDIN-HSZRJFAPSA-N 450.558 5.235 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)cc2)cc1 409883862 IJGOORNPEZLSPO-UHFFFAOYSA-N 450.376 5.672 30 20 JKED COc1ccc(COCc2cccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)cc1 477767675 XHZWDRZIWQXRJS-UHFFFAOYSA-N 457.574 5.974 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 480376402 IIWMVQXMGXMXGP-MRXNPFEDSA-N 466.463 6.021 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCCSCc1ccccc1C#N 498814597 BBXWFCVROGWIAQ-UHFFFAOYSA-N 471.582 5.559 30 20 JKED Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 502375217 BXALONXZIJIHFZ-HXUWFJFHSA-N 481.556 5.414 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 504959557 MRKXYCFFEYYZKI-UHFFFAOYSA-N 497.511 5.103 30 20 JKED CCOc1ccc(CN2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CC2)cc1 508262065 ACJUQOLVLMRRPN-UHFFFAOYSA-N 486.572 5.108 30 20 JKED N#CCC[C@@H](C#N)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1 508377562 TYYVXUFAFRNTGG-IBGZPJMESA-N 456.596 5.709 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1nc2ccccc2s1 513682023 NLODNGNBIPSQEU-IBGZPJMESA-N 463.628 5.575 30 20 JKED N#Cc1ccc(OCC(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)cc1 514057196 UHKFAOHODNUFBQ-HXUWFJFHSA-N 498.402 5.035 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)C[C@H]2CCCC[C@@H]21 515062309 ZFERZBWUOUQCBD-OIBXWCBGSA-N 486.597 5.102 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)sc2C)cc1 515172501 LKVCZYPXRYNWOV-UHFFFAOYSA-N 455.539 6.352 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 515796850 UAMMAPNVGMMTTH-UHFFFAOYSA-N 478.596 6.533 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc(-c2ccccc2)cs1 516069896 PIAYLKCNUAYTHV-UHFFFAOYSA-N 457.530 6.034 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)cc1 518516560 KMSJINLIQYBZFT-HXUWFJFHSA-N 475.957 5.172 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccc([C@@H](C)CC)cc1)c1cccs1 518580719 XNBFXLSEUMZZSN-BXKMTCNYSA-N 461.587 5.376 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)s1 518751982 CMOKCFWVGDXMBF-UHFFFAOYSA-N 460.559 5.147 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 520364206 HEQSUZPYNVXQEU-UHFFFAOYSA-N 485.996 5.966 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 521733323 DXYWQBONNFXKDC-ZDUSSCGKSA-N 464.900 6.049 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(COCc3ccco3)c2)cc1 523796522 QUFHPXNVXOIDFH-UHFFFAOYSA-N 483.543 5.919 30 20 JKED COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 524662521 PSVLUHDEJGTPQG-UHFFFAOYSA-N 491.591 6.575 30 20 JKED COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)Nc2sc(C)c(C)c2C#N)cc1 603445750 XUDWRKPCYHZVON-UHFFFAOYSA-N 479.583 5.006 30 20 JKED N#Cc1cccc(CN(Cc2cccc(C#N)c2)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 603669595 OXVYFIBMAGHMPT-UHFFFAOYSA-N 475.518 5.515 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccnc(Oc4ccccc4)c3)s2)cc1 603829945 RTQVJLQWUPEPSD-UHFFFAOYSA-N 474.571 5.211 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1OC(F)F 604142789 WKZXIILFOZUPAQ-HXUWFJFHSA-N 499.901 5.811 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 604421499 WQPXMUOQLFIHCV-UHFFFAOYSA-N 454.313 5.254 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1 608792952 QFZBCHURQZCJPJ-MHZLTWQESA-N 470.592 5.321 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)c1C#N 608826814 PAPMBGPWRYBAKF-UHFFFAOYSA-N 479.583 5.001 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c12 609020063 ABZPMLCRMPPFCE-UHFFFAOYSA-N 468.435 5.683 30 20 JKED Cc1nc(CSc2ccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)cs1 609027718 FJEWZQQTFFNGDT-SANMLTNESA-N 485.634 6.318 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1OC 609060520 BYVDTQIPJOWQDS-JOCHJYFZSA-N 474.557 5.375 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1 609061422 NZVSDPKCNTTXPJ-UHFFFAOYSA-N 470.554 5.682 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 609084083 QEXXQIHYSGDWNN-RUZDIDTESA-N 473.960 5.305 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1 612894617 CMMCRZWYYJWZER-NRFANRHFSA-N 479.627 5.092 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(SC)cc1 613415485 MUPYYSIREHZYMD-HNNXBMFYSA-N 458.584 5.023 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618300911 HLCZQVGTNOYVCF-STQMWFEESA-N 490.391 6.340 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)nnc1-c1ccccc1F 645077593 MWGBQVZQFCSADB-UHFFFAOYSA-N 479.484 5.028 30 20 JKED CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 725753280 MHAMGTPVHDMYMP-NRFANRHFSA-N 465.619 5.322 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)cc(C)nc21 725962303 WXNRNZANUXUJPA-KRWDZBQOSA-N 490.608 5.301 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C(C)C)cc2)cn1 726117111 RTJYOYRWEWLUIW-QHCPKHFHSA-N 475.618 5.187 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1oc2ccccc2c1CSc1ncccn1 726321701 OBZYPQRPGPVOPR-HNNXBMFYSA-N 497.363 5.783 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 726322980 UKHFCAQENGSWOR-NKELODKYSA-N 491.579 6.137 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 726396234 DDPZPLNIVMWPCK-KUHUBIRLSA-N 497.514 5.230 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)S/C1=N\[C@H](C)c1cccs1 726419603 GBMPEHDIFPDLSF-IQDGPNEGSA-N 466.028 5.128 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 726572935 KTMGQCGZHKTHMB-UHFFFAOYSA-O 467.658 6.356 30 20 JKED O=C(OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1N/C=C/C(=O)C(F)(F)F 726632532 DXXKPWBGJGWHOA-CMDGGOBGSA-N 486.233 5.457 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c1 727650716 RGQFQQOFKMEONC-DEOSSOPVSA-N 484.581 5.058 30 20 JKED Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 728188384 QIJWIKSTZYPZCA-UHFFFAOYSA-N 472.888 5.805 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CCC2)ccc1Cl 728191755 QEBDZAJLLLEZGR-NRFANRHFSA-N 493.456 5.779 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c1 728248480 OEMFJCAPCVAMCW-UHFFFAOYSA-N 455.539 5.054 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1cccnc1 728424692 GRZRJXHKCUEJSC-UUOWRZLLSA-N 483.597 5.237 30 20 JKED CCN(CC)S(=O)(=O)c1ccc2nc(/C(Cl)=C\c3cccc(OCCCC#N)c3)[nH]c2c1 728440397 WUGIUJWGQBFIDJ-HMMYKYKNSA-N 472.998 5.013 30 20 JKED CC(=O)N(c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 728680393 QPMAWNSIBLPJHL-UHFFFAOYSA-N 486.018 5.805 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccc(F)cc1 728776223 AKCYZRSXUJZKPA-LJQANCHMSA-N 492.498 5.499 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 728870499 NFEAKYKQEUZYSI-UHFFFAOYSA-N 471.358 5.615 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\CCc1ccccn1 729630785 ABFKXYYWIAPCCN-PQHDRGKASA-N 466.651 5.006 30 20 JKED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)N1c2ccccc2Sc2ccccc21 729767901 ABZFRZRCLMUIKU-QGZVFWFLSA-N 453.523 5.540 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)c1 730462040 VENUKJLUEGQHGQ-OAQYLSRUSA-N 485.009 5.120 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 730691763 MENBWAJLYXIMIM-LPHOPBHVSA-N 495.651 5.223 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 731066286 UYIOUFXBZLREHP-CQSZACIVSA-N 471.629 5.299 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)cc1 731307460 SLICCHSBEQVZHY-DEOSSOPVSA-N 489.597 5.340 30 20 JKED CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 731363368 GILYTVLIXSKISN-FICVDOATSA-N 457.434 5.381 30 20 JKED CC(=NNC1=NC(=O)/C(=C/c2cn(CCC#N)c3ccccc23)S1)c1cccc2ccccc12 733783198 ZUHVSWSTUJJTNK-ZZMKHARGSA-N 463.566 5.692 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2oc(CC(C)C)nc2C#N)cc1OC 745613564 JADKDJWHRKRXNH-UHFFFAOYSA-N 484.560 5.120 30 20 JKED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 746346301 OUBPOLBUDVSGTH-TWGQIWQCSA-N 458.312 5.908 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCOC(C)(C)C)c1 746698158 WCXCFZUJDBAFLN-JOCHJYFZSA-N 483.634 5.033 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 747803089 HKJVLLLLYGYRSM-JTHBVZDNSA-N 469.054 5.978 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 748583868 JUSBTPCVPVKNIP-KTKRTIGZSA-N 475.854 5.706 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2ccc(C)cc2)C=C1 749660884 WUPYMGROWCZSKO-UHFFFAOYSA-O 477.606 5.654 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(CC(F)(F)F)C2=O)cc1 799218007 YUVAIFJHZNQUDK-IBGZPJMESA-N 477.508 5.029 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 837533806 WMCQDXJBKLTPRU-HRAATJIYSA-N 498.530 5.822 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CC(F)(F)F 838511200 KVGMTKNYIVFXMF-INIZCTEOSA-N 489.878 5.010 30 20 JKED CCOc1cc([C@@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(F)cc3)=C2C(C)=O)ccc1O 839392352 IPUZGSZOLPVTEP-VWLOTQADSA-N 460.505 5.197 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccc(F)cc1 855925477 QJOXMZAWGKKVLI-KRWDZBQOSA-N 488.613 6.580 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cl)s2)C1=O)Nc1ccccc1F 914547718 ZUNGSEVBIMBHJB-GOSISDBHSA-N 473.982 5.701 30 20 JKED O=C1CCc2cc(C(=O)/C=C\c3cccc(/C=C\C(=O)c4ccc5c(c4)CCC(=O)N5)c3)ccc2N1 915993144 KNUQAOROHBODBZ-FQCPIAEUSA-N 476.532 5.248 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 916052074 YEVJVPDPNYSAOS-MHZLTWQESA-N 466.562 5.568 30 20 JKED O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(O)c(CN2CCOCC2)c1 916130038 FLTJMQHBVLEIKF-CSKARUKUSA-N 476.960 5.026 30 20 JKED CCCOc1c(Cl)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OCC 916546407 PGAUSUYPSIUEOQ-UHFFFAOYSA-N 465.406 5.947 30 20 JKED O=C(Nc1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1)c1ccccc1Cl 916546570 ZAFOQLWYUDFDMP-UHFFFAOYSA-N 482.396 6.012 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 916679701 ZSXLWHHIAMPJAS-XMMPIXPASA-N 471.557 5.435 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 916881423 RJKZKCVQXUDRRO-FQEVSTJZSA-N 469.324 5.542 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2C)cc1 916888381 WXTVTHURJFZESD-NRFANRHFSA-N 469.513 5.379 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(SC(F)(F)F)cc1 916904720 IEFYGAXIQOZFHE-GOSISDBHSA-N 456.445 6.052 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 916908626 QOWCYIIQRCAXPO-XMMPIXPASA-N 488.971 5.422 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916927218 GECFFYGIENGVNE-INIZCTEOSA-N 458.370 5.624 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(Cl)c1OCCC(C)C 916927481 KQRRXMJIZGOFSC-OAHLLOKOSA-N 483.779 6.041 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916928464 LVBAUORAPGZCNQ-IBGZPJMESA-N 462.336 5.958 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC 916934889 JITRYDYVEPVIEI-BWKNWUBXSA-N 495.000 5.527 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)cc1Cl 916939975 JTQPPOWLFDKQKZ-LJQANCHMSA-N 485.371 5.003 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 916949292 NLWUIJHMFQRZTC-VGSWGCGISA-N 459.571 5.153 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995038 ARAXCJZBFXLFHJ-WFASDCNBSA-N 474.344 5.485 30 20 JKED Cc1cccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c1C 917042166 CILBXPVVEJZZHB-GOEBONIOSA-N 457.477 5.161 30 20 JKED Cc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(Br)c1 917043726 NDILJZZGUGGSMK-AAEUAGOBSA-N 483.309 6.030 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2)c1 917668560 BTEQWKFHMFWGLZ-XMMPIXPASA-N 491.588 5.441 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCc3cccs3)C2=O)cc1 917673316 WWAOVQALHWYRNO-JOCHJYFZSA-N 478.643 5.017 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917676706 WRDPQPFOUGYAMR-QTEQDKRBSA-N 497.064 5.236 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccc(C)s3)C2=O)cc1 917678064 NOTZAYREQMBVDP-QFIPXVFZSA-N 495.601 5.559 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)Cc2csc(-c3ccccc3Cl)n2)c1C 919003357 FYSCOEIUCLVGPU-UHFFFAOYSA-N 467.978 5.113 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)cc1Cl 920111778 QIZUXABLCIAHCQ-HXUWFJFHSA-N 469.324 5.542 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2cc(Br)cs2)no1)c1nc2cc(Cl)ccc2s1 920112811 KKLCVHXHQWBMTR-LLVKDONJSA-N 493.795 5.633 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1F 920172882 MCVWUGVHNJJDAP-JOCHJYFZSA-N 481.524 5.207 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1Cc1c(C)noc1C 920355341 KSABXZQBCOGENW-QHCPKHFHSA-N 492.601 5.023 30 20 JKED Cc1cc(C)c(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)c(C)c1 920806174 IAYPXYKLEXZCGF-IRXDYDNUSA-N 465.525 5.243 30 20 JKED N#Cc1ccc(CN(Cc2ccc(OCC(F)(F)F)cc2)c2ccc3nc(O)[nH]c3c2)cc1 1473240813 OYBWALNDPUWHAW-UHFFFAOYSA-N 452.436 5.288 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)C1 1780104841 VDYOWIYGSICLHP-FXBCZQQTSA-N 487.644 5.154 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)cc1 1785797687 FEKJNSKXXMRWRU-HHHXNRCGSA-N 463.528 5.371 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(SC)cc3)CCC2)cc1 1786370216 XWZMYLCNPSSSAR-UHFFFAOYSA-N 452.620 5.068 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3F)CCC2)cc1 1788649399 KXNXTNUUNRYONO-PKNBQFBNSA-N 483.952 5.122 30 20 JKED CC(C)COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)ccn1 1788661856 IZLACGMCTMNUJO-UHFFFAOYSA-N 482.584 5.244 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CCC2)c(C#N)c1 1789004432 IGZJBTAIUSQGRZ-UHFFFAOYSA-N 479.536 5.303 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)cc2)CCC1 1789065262 TZJJMGXMUXDFAF-UHFFFAOYSA-N 489.616 5.304 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cn5ccc(Cl)cc5n4)cc3)CCC2)c1 1789102395 VYDUKECKLTVIQR-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(OC)ccc4o3)cc2)CCC1 1789238188 LPQUGZPEIJYEHP-UHFFFAOYSA-N 462.546 5.172 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-n4cccn4)cc3Cl)cc2)CCC1 1790602474 AUSXVGYAEJPYAV-GOSISDBHSA-N 493.995 5.074 30 20 JKED Cc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1 1790745533 PIYFWRPRXGPCAB-UHFFFAOYSA-N 495.402 5.147 30 20 JKED COc1cc(Cl)ccc1CC(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1791151506 HIEMPNRXWOUMCX-UHFFFAOYSA-N 487.987 5.405 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4noc5ccccc45)CCC3)cc2)c1 1792122555 MHNLKPZDGBITFC-IBGZPJMESA-N 478.552 5.445 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792205346 WMBDYTSXVCRSFP-OIBXWCBGSA-N 483.653 5.416 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3(C)CCCCC3)CCC2)cc1 1792331284 NGHBTMVMHJALCO-JOCHJYFZSA-N 481.637 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c2ccccc12 1797982016 HRUOSXFJMCRHKF-IYWMVGAKSA-N 481.434 5.623 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2ccccc2)c(Cl)c1 1799551228 FOECXPFPKWGTGP-WKCHPHFGSA-N 485.971 5.570 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)[C@H]2c2cccnc2)C1 1802416179 HPOHUKFNRLJMPG-BTYSJIOQSA-N 492.623 5.495 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(C)c2)[C@H]1c1cccnc1 1803082773 YKUTXKSWVQFYAK-UHSQPCAPSA-N 494.639 5.540 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1803091093 MPXPTMHKHQBNPK-FDDCHVKYSA-N 490.406 5.616 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3sc(-c4ccccn4)nc3C)CC2)C1 1805454951 MOUOYVMIGQTKLE-UHFFFAOYSA-N 478.662 5.127 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1806539661 XPTYXGMEBHDVFW-RCZVLFRGSA-N 485.550 5.117 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC3(CCCN(C(=O)CCC#N)C3)CC2)cc(C(C)(C)C)c1 1809512246 XYOMFOFXOFWWQL-UHFFFAOYSA-N 451.655 5.430 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1809752474 DYOAEXGTCPFFMU-WMZHIEFXSA-N 465.644 5.446 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC=C(C)CC2)[C@@H]1c1cccnc1)c1ccccc1 1810442908 BFTDDNKVYKMUCU-CPKBAGSISA-N 469.629 5.031 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]1c1cccnc1)c1ccccc1 1810448052 RGKRQUKIPZHROH-AVDSVQMKSA-N 471.645 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1810495293 LYWWIFXIOCHKEY-BKMJKUGQSA-N 488.607 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810504844 IBKWSVXBKFOTJC-IRLDBZIGSA-N 473.539 5.412 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811436870 YMASCGMMKOBVRL-BKSPAHHJSA-N 477.992 5.569 30 20 JKED CCCCCc1cccc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)c1 1811792817 MGYUIFPEBGGSHG-PQHLKRTFSA-N 494.639 5.248 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)c1 1811800406 IAIXEAQLGROHIV-FQLXRVMXSA-N 486.575 5.254 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1812807828 CRJBWQVISSSUMF-RPLLCQBOSA-N 474.649 5.578 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813963335 PZKMGPMJPZDDQF-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1814109182 QHPVFLCVFGCMTR-NVQXNPDNSA-N 478.036 5.056 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)cc1C#N 1815984781 NAGCVXNNZORDMN-OUZREKFBSA-N 489.601 5.149 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)sc2C1 1818907449 LJGIZIHWXIXNGH-CQSZACIVSA-N 490.963 5.090 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)[nH]n1 1819303699 ZPPMGNDTULRHJA-DHLKQENFSA-N 471.605 5.351 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)[nH]n1 1819386822 KYDTYUAIWPAAQJ-NRFANRHFSA-N 472.612 5.045 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1820971892 AVOQEXMEPAWSTC-HOYKHHGWSA-N 491.567 5.323 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1)C(F)(F)F 1821026826 JEGPCSGSHZUGJT-QGZVFWFLSA-N 484.906 5.275 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)cc1 1821179706 KHQLLLZFBXYGOB-QGZVFWFLSA-N 488.400 5.464 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821287330 TZTNHTUCSKQWSZ-GOSISDBHSA-N 483.371 5.144 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)c1 1821326533 ZSDZNHDGAPIQHB-IBGZPJMESA-N 483.906 5.141 30 20 JKED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4ccoc4s2)CC3)c1Cl 1821408888 YMXQEFHGMNQAHR-ZDUSSCGKSA-N 482.974 5.015 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)[nH]n2)s1 1821692208 CZGDHEJXOOPLPY-OAQYLSRUSA-N 490.633 5.399 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)n[nH]1 1821788378 NBTJCUSPMACPDK-UWJYYQICSA-N 474.527 5.114 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[nH]n1 1821925918 CIFMXOVRGQHJAO-XJRBWHPUSA-N 485.426 5.180 30 20 JKED Cc1ccc(C2(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(C#N)c[nH]4)[nH]n3)CCCCC2)cc1 1822580141 MXNRKPSKPNVEIF-XMMPIXPASA-N 484.604 5.126 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CC2)[nH]n1 1822584370 LUEMDKSFODFOPF-NRFANRHFSA-N 497.437 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)c1 1823211498 NMMHUGUVEJTDNP-NFQMXDRXSA-N 491.595 5.739 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c1 1823217072 PRSAVNDBHNYAAH-JIJNMOOASA-N 459.594 5.169 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCN(C)C(=O)OC(C)(C)C)n[nH]1 1823522439 KDPAOLBRZUAGAR-HXUWFJFHSA-N 489.661 5.041 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CC(c5ccccc5)(C3)C4)n[nH]2)c1 1823593996 UBTLJRXQZNCCQO-DBUALKDLSA-N 479.584 5.018 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1823676597 VOVVOICWTSHIOQ-VWLOTQADSA-N 474.992 5.240 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1823684047 WZMLCDCPKLHFFK-MHZLTWQESA-N 489.685 5.211 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc3c2CCCO3)CC1 1823752815 OJVPKCPTMMVULU-JOCHJYFZSA-N 458.668 5.299 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1823755285 RJXSWUWNWDOBMR-DEOSSOPVSA-N 488.072 5.524 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c(Cl)cc2F)CC1 1823886779 PBEKBZBXBALWCT-IBGZPJMESA-N 498.824 5.025 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C#N)CC1 1823887553 JGHQXOFDJWUJEN-FQEVSTJZSA-N 450.410 5.085 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)CC1 1824042211 HYTAHSNAPWHZRO-NDEPHWFRSA-N 473.661 5.556 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1824497990 LTYROBGEYAJGNP-HYBUGGRVSA-N 461.046 5.046 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1824502195 ZCZVGILIOPDYFS-BIGMCNFVSA-N 458.687 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1 1828825461 WWDKRBGSDFXUFZ-FTJBHMTQSA-N 482.665 5.025 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1828827475 XCBUYPDRNRTITL-BJKOFHAPSA-N 477.674 5.812 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828829270 ZQISYDICIJRBSA-SQJMNOBHSA-N 468.041 5.823 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829409858 BSRAQOQLWIKSSC-HNAYVOBHSA-N 471.951 5.199 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1829589896 WTITWLAIMREZEJ-MHZLTWQESA-N 482.628 5.267 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1829633661 YGUWHTFHIFVNCQ-NRFANRHFSA-N 493.570 5.111 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1830016476 GEHRTQNYGQGROM-ZCYQVOJMSA-N 476.020 5.175 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c1 1830574505 FSVDLRQCZKFKNH-KOSHJBKYSA-N 481.999 5.653 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(OC)cc2F)CC1 1830586852 BMAAZKUKMQMFLB-JOCHJYFZSA-N 462.581 5.199 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1830597511 SXBNJTOJIQELQU-ZJVMWOEPSA-N 485.049 5.382 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830628918 OWTVJCFFCDFXNG-WMZHIEFXSA-N 481.687 5.228 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)c(Cl)c1 1830721340 CFXSBBYUOKVSIJ-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1830783364 KTPRKDIDWFPMJU-NRFANRHFSA-N 467.437 5.590 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1)c1ccccc1 1830862137 PDYKPJCZMIDHQA-OFSOJUDTSA-N 493.651 5.665 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c1 1830973889 RGPIGPGJAOHZMN-AFMDSPMNSA-N 486.641 5.470 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831060907 LGGCUSBZXBHVQY-IBGZPJMESA-N 491.560 5.254 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1831371805 LUGRAXXHZWECIB-VGSWGCGISA-N 467.437 5.204 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1831506785 FIJNOTBJOFEQLG-AHUNDJPPSA-N 478.658 5.301 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1831852287 ZVMKQWSLSWVBAJ-RUZDIDTESA-N 471.601 5.465 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1831859685 VTRZXEMSTOCGPU-BDYUSTAISA-N 466.572 5.694 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1F 1832620884 CWDKPPCRXWKWST-VQKOGROQSA-N 486.584 5.007 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(c3)CCCC4=O)CC2)c1 1832632568 TXYKPOBKHVYRHO-PIKZIKFNSA-N 497.639 5.380 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCOc3ccccc3)CC2)c1 1832635288 YYZXBGIPBUKPNS-CUNXSJBXSA-N 473.617 5.016 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1832690955 TWQVRYFMLULBRD-QFIPXVFZSA-N 471.935 5.037 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1832896560 YYOOZQJSHFDFLF-NTKDMRAZSA-N 464.009 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C3(c4ccccc4)CCCC3)CC2)CC1 1833207360 RTIHOOHTEJICSM-UHFFFAOYSA-N 479.709 5.062 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3OC(C)(C)C4)CC2)CC1 1838056539 UOYLMASKJPBZCE-UHFFFAOYSA-N 482.665 5.005 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CC2(CCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 1845392897 IYNZOYPYMCKFFP-UHFFFAOYSA-N 492.497 5.137 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C(F)(F)F)c(F)c1Cl 1847264626 RBXZAOJSCWOTNA-HOTGVXAUSA-N 460.899 5.306 30 20 JKED Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(Br)cc2Br)n1 10267088 JZDWHQHHRXRLHH-LLVKDONJSA-N 469.202 5.214 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10756675 PYBHAJYNUTYVCN-UHFFFAOYSA-O 472.993 5.527 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1 10830966 VSPOAOCGZNKJNO-UHFFFAOYSA-O 450.027 6.174 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)cc1F 11083166 ZKRPJZAAFPMQAH-UHFFFAOYSA-O 461.626 6.259 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccc(C(C)(C)C)cc2)cc1 15248400 WEDXWXIQDXYSEJ-UHFFFAOYSA-O 482.069 6.601 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)nc2ccccc2c1=O 20052141 BCVCUMKRNVGWIJ-UHFFFAOYSA-N 478.624 5.210 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1OC 22185407 KPIFUFCQFIWXBM-VZUCSPMQSA-N 460.452 5.279 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Br)c2)c1 22732554 ROPUPLCVBZGHIF-UHFFFAOYSA-O 462.339 5.374 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22735880 JAMMPJFRJSGWFY-UHFFFAOYSA-O 459.679 6.166 30 20 JKED N#CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)c1ccccc1 23423353 YLCMCVVQNFGFNO-UHFFFAOYSA-N 473.989 5.296 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C 23518863 FRUJGTKQDQDBDH-ROUUACIJSA-N 466.582 5.031 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCCC#N)c1 25394700 PIRNBMDFTAHQIV-UHFFFAOYSA-N 467.374 5.225 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl 26953236 HMDUXALXUAVMFL-UHFFFAOYSA-N 453.391 5.001 30 20 JKED COc1ccccc1-c1nc(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)cs1 31743135 OZTJZWWBAJZIST-UHFFFAOYSA-N 473.583 5.212 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1 32058356 RYAQVERMJCGDGR-UHFFFAOYSA-N 466.497 5.304 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)c2)c1 32290003 SWLIPNVHRDSAEO-QFIPXVFZSA-N 463.946 5.232 30 20 JKED COc1ccc([C@H](CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)NC(C)=O)cc1 46861602 HHRBHFFBMLCRFA-NOZRDPDXSA-N 461.949 5.210 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(Cl)ccc2Cl)=C(\S)Nc2ccc(SC(F)F)cc2)c1 71793480 OJUYYFGMULCTPI-UHFFFAOYSA-O 498.427 6.955 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3ccc(CN(CC)C(C)C)cc3)nc2C)n[nH]c1=S 110229571 ODBKAFGFSWGROS-UHFFFAOYSA-N 456.641 5.041 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)c(C(F)(F)F)c1)c1ccccc1F 302925086 CEKYXBRIZOKIRK-UHFFFAOYSA-N 470.344 6.368 30 20 JKED Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4cccc(Oc5ccc(C#N)cc5)c4)CC3)n2)cc1 303126777 ALBHFWSZNUQXEY-OAQYLSRUSA-N 493.567 5.228 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 479361858 JBHHYWTYBZURNA-UHFFFAOYSA-N 456.493 5.355 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 480246213 DFASEOHLHAOQHE-UHFFFAOYSA-N 492.938 5.441 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481296247 QAEQNBWYFPFDJW-INIZCTEOSA-N 499.464 5.453 30 20 JKED O=C(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)c1ccccc1C(F)(F)F 494003325 HIXPOKBIKUIEGN-UHFFFAOYSA-N 480.361 6.284 30 20 JKED C=CCc1cc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc(OC)c1OC 497326004 MCIYISFDCBGWPY-UHFFFAOYSA-N 475.372 5.643 30 20 JKED CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)sc(-c2ccccc2)c1C 498278606 WPSGHDDEIQLCLD-UHFFFAOYSA-N 496.610 5.230 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)n1 500747958 SMXTXFXLIIRLSW-UHFFFAOYSA-N 456.527 5.895 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 504657706 HITNEHUMKPSKKS-UHFFFAOYSA-N 454.361 5.398 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)cc1 505698494 XVFVYMKNOSLCRN-UHFFFAOYSA-N 458.543 5.404 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)cc1 508142459 KOUSOYYCELWHSG-UHFFFAOYSA-N 461.562 5.580 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1 508145950 UWYFOTJQLAMHII-UHFFFAOYSA-N 462.981 5.716 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 510857202 LRCGIHJEWVVEAS-UHFFFAOYSA-N 494.511 5.133 30 20 JKED CN(Cc1ccccc1N1CCCC1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 511309064 QXNXNTUKPUKLSL-DEOSSOPVSA-N 487.003 5.193 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 511355363 NTJUYDSQTQSZLY-RUZDIDTESA-N 480.395 7.007 30 20 JKED COc1ccc(CCC2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 511390134 HFRXVGKKKSVVKQ-UHFFFAOYSA-N 483.612 6.217 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1 511787609 AXONIOBEUWWUFH-UHFFFAOYSA-N 473.426 5.258 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc2c(cc1SC)OCCO2 513975596 GWGKKOAECMLHCN-UHFFFAOYSA-N 467.360 5.301 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 514358201 OBJKUVNPQPNYCC-INIZCTEOSA-N 491.444 6.086 30 20 JKED CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 516399055 SLDUSASOZIJMEA-LJQANCHMSA-N 469.950 5.087 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1csc(Br)c1 518582751 UMXXEXQUWNPUEY-UHFFFAOYSA-N 484.375 5.080 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(OCC)c1OCC 518870570 DGWNBSVDOFGZMF-OAHLLOKOSA-N 472.513 5.774 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 520006839 VCKCLLLMRDJNMJ-UHFFFAOYSA-N 479.462 5.600 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)cs1 520672936 APESKVFXYWNWIS-QGZVFWFLSA-N 482.565 5.598 30 20 JKED Cn1c([C@@H](NCc2cccc(OCc3ccccc3C#N)c2)c2ccccc2)nc2ccccc21 520960770 OFUXVUKTTZLXMW-LJAQVGFWSA-N 458.565 5.903 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)c1 521790156 SBKHXLAYIQTBGV-UHFFFAOYSA-N 466.463 5.619 30 20 JKED CCOc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1 521805219 ZOVGQVRZUNRYRQ-DFBJGRDBSA-N 473.598 5.324 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 523375138 GGSBWMAGOWNZKU-WBVHZDCISA-N 464.381 5.800 30 20 JKED CS(=O)(=O)Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2ccccc12 588349022 OOBBDULHAWGPOV-MRXNPFEDSA-N 470.959 5.244 30 20 JKED C=CCN(C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 596361414 WDNZLKQRCAXNNG-LZCXECNNSA-N 474.609 5.539 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 603739121 RYFHGQIWTLEDBB-UHFFFAOYSA-N 487.890 7.193 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)cn2)cc1 603764826 OOKARABFMNIVRS-UHFFFAOYSA-N 476.536 5.390 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)o1 603912503 ADSKIFTUGIMOBV-SFHVURJKSA-N 471.586 5.361 30 20 JKED N#CCCCOc1cccc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 604044559 VRQDJLGNYMDNQB-QHCPKHFHSA-N 453.464 6.180 30 20 JKED CC1CCN(c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2[N+](=O)[O-])CC1 604101044 YSUPDEAUBHQRAT-UHFFFAOYSA-N 457.490 5.142 30 20 JKED COc1cc(Br)c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 608916285 VQDISEZMMLMMQH-UHFFFAOYSA-N 496.361 5.760 30 20 JKED COc1cccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2c[nH]c3ccccc23)c1OC 608917453 GNDMBKJPKHCTLA-SANMLTNESA-N 496.611 5.809 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc(OC)c1OC 609007931 WXHQJACPRUMPJC-FQEVSTJZSA-N 452.894 5.153 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(C)cc1 609062859 IFKBCICPHVXFGX-XMMPIXPASA-N 461.949 5.305 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4F)n3)cc2)c1 609063692 JUQPENAKBNTZKV-UHFFFAOYSA-N 486.528 5.166 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 609084259 RHMBXZXJYLEIGC-KRWDZBQOSA-N 481.474 5.280 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(OCc4ccccn4)c3)cc2F)c1 609124054 ZYIHDFPJLWMDSG-UHFFFAOYSA-N 482.515 5.572 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3oc4ccccc4c3CSc3cccs3)CC2)c1 609185767 OCVZSOCEISISFZ-UHFFFAOYSA-N 474.607 6.342 30 20 JKED CCC(CC)CN(CCC#N)C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 609187142 JOUWJCIEIQVVMK-UHFFFAOYSA-N 492.439 5.042 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCc2cccc(Br)c2)cc1C 609415678 BCNHUMYZVIQBHT-UHFFFAOYSA-N 465.395 5.206 30 20 JKED CCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1Cc1ccccc1 613405310 XLMAJFJCXWOSBW-INIZCTEOSA-N 454.477 5.612 30 20 JKED O=C(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618365679 JUJUGRYZIQZRBN-BETUJISGSA-N 485.350 6.047 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(Cl)cc2)cn1 726116573 GRUOFJIJBMXXSV-JOCHJYFZSA-N 496.036 5.334 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C#N)cc2F)ccc1Cl 726367886 JJGNUCSVODSDCH-UHFFFAOYSA-N 483.952 5.009 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCCC3)C2=O)c1 726406336 JGXSWEQMUBJVDA-OAQYLSRUSA-N 482.993 5.123 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(N3CCCC3=O)c2)c1 726570575 GQSZCHDFRAKWQF-UHFFFAOYSA-O 490.008 5.258 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OCC(F)(F)F 726626788 LKTRCYZEKCUFDM-REZTVBANSA-N 484.908 5.567 30 20 JKED COC(=O)Nc1cc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)ccc1F 727332391 PEWKQQOCNGEPBL-UHFFFAOYSA-N 484.324 5.139 30 20 JKED Cc1sc2ncn(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c(=O)c2c1-c1ccccc1 728162460 PSFUIAGEQFMUPO-UHFFFAOYSA-N 492.560 5.268 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2c(Cl)ccc(C)c2Cl)[n+]2cccc(C)c2)N=C1C 728558820 TVMVHNNZTJUQGZ-UHFFFAOYSA-O 489.448 6.215 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ncccc3C)C2=O)cc1 729634670 QOKUJUMHOKNAOR-QFIPXVFZSA-N 479.005 5.512 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCC1)c1cccs1 730463282 WDNYYQXLJSOWQY-NJHYVEEWSA-N 482.458 5.997 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CC2)cc1 730498996 LJXJKRWKOOWCGP-LJQANCHMSA-N 491.585 5.523 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cocn3)C2=O)cc1 730709919 FKMWYIIOQOOWFJ-HSZRJFAPSA-N 492.601 5.241 30 20 JKED Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3SCCC#N)c3ccccc3C2=O)cc1C 730996642 URSZAGPSPDVFQO-HAVVHWLPSA-N 453.567 5.949 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 731001959 LOICRDLSUKPOMV-JOCHJYFZSA-N 469.928 6.117 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 731078627 RKNDXEIZGOIWKF-LSDHHAIUSA-N 465.402 5.606 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2)cc1F 731305539 LTNMRVILUCTVAI-HSZRJFAPSA-N 493.560 5.009 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2cccs2)cc1 731305738 ORIZUDOYSSGIRJ-KSFYIVLOSA-N 495.626 5.054 30 20 JKED COc1ccc(/C=C2/SC(=Nc3cccc(C(F)(F)F)c3)NC2=O)cc1OCCCC#N 747361331 KQFOQXYRNJTVQT-XDHOZWIPSA-N 461.465 5.288 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccs2)C1=O 837552216 OGVVCAXUORNEKA-FQEVSTJZSA-N 486.018 5.571 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)CCc2ccco2)cc1 838034592 XYHFTCCULIJZSQ-FDDCHVKYSA-N 477.586 5.270 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)c3ccccn3)C2=O)cc1 838538115 HHIADHMLMIUGLK-AOMKIAJQSA-N 480.540 5.390 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(F)cc1F 838578245 FBXVLIGYSBDALC-LJQANCHMSA-N 479.936 5.082 30 20 JKED Cc1oc(NC(=O)COC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)c(C#N)c1C 899923658 LKLABGGRNZWWPX-UHFFFAOYSA-N 482.521 5.389 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5c(C)cc(Br)cc54)c23)cc1 915049824 UKAWNWZCCUGFEU-UHFFFAOYSA-N 494.374 5.206 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2cc(C)c(OCc3ccccn3)c(C)c2)c1 915957396 XDKUVXSQSREGEQ-UHFFFAOYSA-N 473.602 5.236 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1 916210135 BEKOOJUCHXKXSW-IBGZPJMESA-N 489.475 5.181 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cccc2ccccc12 916217231 IJTUROIULTXHAK-QHCPKHFHSA-N 477.586 5.227 30 20 JKED CC1CCN(C(=S)SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 916450047 ZCZJTSKSRDBJGN-UHFFFAOYSA-N 453.633 5.020 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc3oc4ccccc4c3c2)CC1 916881067 LJOLQTKDEZEINH-UHFFFAOYSA-N 453.454 5.528 30 20 JKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916908133 LPAGHFCZZCNBNQ-YHYVQYDKSA-N 453.498 5.035 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916912548 QLDSDTTUOTVJSP-INIZCTEOSA-N 465.296 5.400 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1 916917944 LQDBHOKYYUZCKM-NRFANRHFSA-N 454.555 5.082 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928436 LFTMZQAMUHZHTI-GOSISDBHSA-N 480.355 5.086 30 20 JKED COc1ccc(Cl)cc1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 916974219 GVQLASMDQOQTSS-WMZOPIPTSA-N 465.962 5.010 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(SC(F)F)cc2)s1 917653566 SUTQREZYNGOZKM-QGZVFWFLSA-N 481.615 5.172 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccc(F)cc2)n1 917677298 AOYBHAPOACSUKU-XMMPIXPASA-N 499.571 5.238 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 917700650 MZEMZIVSMBXXSM-DEOSSOPVSA-N 484.556 5.534 30 20 JKED C[C@@H](OC(=O)c1[nH]c2ccc(Br)cc2c1Cl)C(=O)N(CCC#N)c1ccccc1 919337620 INQOIEKPMURZKC-CYBMUJFWSA-N 474.742 5.076 30 20 JKED Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc(OCc3ccccc3C#N)c2)cs1 920635722 LMLAJTUMEDIGNA-UHFFFAOYSA-N 497.576 5.440 30 20 JKED N#C[C@H](C(=O)COc1ccc(Br)cc1Cl)c1nc(-c2c(F)cccc2F)cs1 920804643 XMQIYJQAUUVPHL-LLVKDONJSA-N 483.721 5.759 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805576 DLKAPJWRRGLHDW-JQWIXIFHSA-N 481.293 5.634 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1[N+](=O)[O-] 920850630 AYCOFCUUHMWHIK-UHFFFAOYSA-N 482.500 5.376 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(Cl)cc2Cl)C1 1781677827 MNQUOQRSNOZCAL-ATIYNZHBSA-N 495.491 5.432 30 20 JKED Cc1cccc(CC(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)n1 1786210074 ATACMNHZBPTURE-UHFFFAOYSA-N 461.682 5.118 30 20 JKED CCc1nn(C)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1Cl 1787127148 XQESXSUERMIZPT-QGZVFWFLSA-N 490.007 5.324 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)CCC1 1787328313 RPYPMRYWJQVTQJ-UHFFFAOYSA-N 465.962 5.100 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5s4)cc3)CCC2)c1 1788971458 SYWZSAQPXSNZIR-UHFFFAOYSA-N 452.539 5.229 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1 1789508091 KJELXYRUTRQVHK-UHFFFAOYSA-N 457.046 5.732 30 20 JKED Cc1cccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)c1 1789577530 DDPLKGYDJLVPQK-ZCTHSVRISA-N 492.579 5.517 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)CCc3nnc(C)s3)CCC2)cc1)c1ccccc1 1789601775 BMXKBLDXYSKNJW-DEOSSOPVSA-N 486.641 5.110 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5occc5n4-c4ccccc4)cc3)CCC2)c1 1789994522 FWJKXEIRWBYGQX-UHFFFAOYSA-N 489.535 5.485 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3=C4c5ccccc5C(=O)N4CC3)cc2)CCC1 1790006737 GXRQZYHOYJTFRQ-UHFFFAOYSA-N 483.612 5.384 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c(C5CC5)c4F)CCC3)cc2)c1Cl 1790081933 PUPXCIABPYSFHL-UHFFFAOYSA-N 477.927 5.013 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1 1790563222 CGXGGIKRSLUXCC-LRYGQEGESA-N 467.532 5.290 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1)C(F)(F)F 1790591839 UCHRRMZYVLYHGG-UHFFFAOYSA-N 465.475 5.615 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)c5n[nH]c6ccc(C#N)cc56)CCC4)cc3)cc2s1 1790881100 GZKVFDJGELZFCP-UHFFFAOYSA-N 494.580 5.347 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4nccn34)cc2)CCC1 1790913645 JIQWZMIHQMRSTQ-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CCC2)cc1 1791251328 CGUYIZJGLHDQOK-RXVVDRJESA-N 457.615 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccnc4)CCC3)cc2)c1 1792123391 YLCXMLSUXQMJGI-ZTVSIKPCSA-N 450.542 5.170 30 20 JKED CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1792203927 MDSGRQUQQFOTKM-UHFFFAOYSA-N 496.652 5.290 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc2)CCC1 1792326124 NEEQZVTZZDMYNK-QFIPXVFZSA-N 469.626 5.194 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc([C@@H](C)C#N)c3)C4)cc2n1 1797958094 WFKVYGUOGXMZTC-YWQVJIEVSA-N 487.003 5.389 30 20 JKED O=C(C#Cc1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799145041 KOHLFVLQONKDBD-NUNAXRQHSA-N 479.605 5.200 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1801694514 OJQNXDPLQABGJR-BCDXTJNWSA-N 474.548 5.103 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)[C@H]2c2cccnc2)C1 1802414143 XLERBLSLTLBGSW-CUNXSJBXSA-N 487.550 5.313 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1802958928 WNWSXJXXQYQULL-XRKRLSELSA-N 480.612 5.029 30 20 JKED Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)C2)cc1F 1805953803 BRNXTZKRRZZIKZ-JOCHJYFZSA-N 475.608 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C2)CC1 1806488274 NJWYBONXRGYFAQ-BREAQWACSA-N 474.567 5.718 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)C1 1806678855 QGPSJTUAIPFJIB-UHFFFAOYSA-N 477.630 5.192 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810590061 DKDRAMICJSFCGO-UGKGYDQZSA-N 491.966 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c(OC)c(C)c2)[C@H]1c1cccnc1 1811550227 YRJRYVUPPHOYCI-ISKFKSNPSA-N 463.622 5.019 30 20 JKED Cc1cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)ccc2[nH]1 1812279146 QEPNOTPSDNKASE-OKMGNEIESA-N 491.595 5.132 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C2(C(C)C)CCC2)[C@H]1c1cccnc1)c1ccccc1 1813669597 RMLHSVIONNPDFK-GMQQYTKMSA-N 471.645 5.111 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2CCCC3)[C@@H]1c1cccnc1 1813879815 YMBHAVWFLLDRKI-XFAFFCHDSA-N 457.618 5.048 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814380731 XLFQGNZFJBEAPE-UTKZUKDTSA-N 493.658 5.149 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1815209421 WHAOARDODVEUPH-SANMLTNESA-N 488.632 5.479 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ncccc4c3)n[nH]2)c1 1815478011 SHDJBCBPTVCPQN-BCHFMIIMSA-N 492.583 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(C)cc23)n[nH]1 1815793061 OGGAOWAWAOGWNW-YKSBVNFPSA-N 459.594 5.203 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1 1816099875 VJGFHRUHSJQLPC-XMMPIXPASA-N 457.578 5.213 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)c2[nH]1 1818115408 AKXPGGDWXSHXSX-CFGKVWFZSA-N 487.585 5.006 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)ccc2n1 1818673926 CBXFTHTUNOTBDT-LEQVUBRHSA-N 499.596 5.073 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)n[nH]2)c1 1819415834 RDDCDDQKNXVRIE-WRZQRANBSA-N 497.624 5.231 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cnc3ccccc3c1)CC2 1819594454 MCQSXHKSZATATP-LEWJYISDSA-N 474.630 5.005 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821047080 KGQXLRZXTVPRDK-HSZRJFAPSA-N 476.602 5.427 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cncc(-c3ccccc3C=O)c2)n[nH]1 1821728277 RMZYVCQMATXOHD-BVAGGSTKSA-N 497.599 5.359 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n[nH]1 1821855715 GRFQZKDRHVGYMT-HXUWFJFHSA-N 473.042 5.096 30 20 JKED CC(C)(C)CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)[nH]n1 1822116438 ZFCKWOKMDIQQCZ-JOCHJYFZSA-N 489.624 5.460 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1 1822283361 XHWZTIATPNMBSB-HSZRJFAPSA-N 466.651 5.227 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)[nH]n1 1822403406 HBSNDICSMUSYRI-RPLLCQBOSA-N 479.669 5.333 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1)c1ccc(O)cc1 1822468887 DXFALWIXSXZKBO-NZRVCZAQSA-N 474.605 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c1 1823218118 YHYUNKROZIUPOJ-IVZQSRNASA-N 479.943 5.449 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccc(F)cc3)CC2)C1 1823702287 YRANKXGSIXJHNG-VWLOTQADSA-N 461.581 5.087 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)CC1 1823750619 CLNGEGBKJFVKIJ-DHIUTWEWSA-N 489.701 5.068 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1823885352 QVMHUYFLJKGXQM-SANMLTNESA-N 495.627 5.080 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1824543728 DVNGXRCWBZKPRD-FLIQFMKDSA-N 493.511 5.036 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2F)CC1 1824842635 QMFLLOQRRSYUTG-JBOJMBJVSA-N 489.429 5.025 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)s1 1825790270 KOPWDXKVSMPPHM-OAQYLSRUSA-N 456.011 5.129 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)c(C)o1 1825878837 QHOVDLZESZHVFP-HSZRJFAPSA-N 498.421 5.078 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)CC1)c1cccs1 1826503648 YGJNCJQFCDGNHT-NELJVSICSA-N 485.049 5.003 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1 1828904900 DPXQYQGSGGOCFS-JOCHJYFZSA-N 484.738 5.779 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1829066561 JKHKYARQDFCURZ-SANMLTNESA-N 492.664 5.311 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1Cl 1829692739 MRSIIYHBLYRRKQ-DEOSSOPVSA-N 481.999 5.217 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829708246 XWQWLOGUVWQIJT-MUUNZHRXSA-N 492.635 5.709 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1 1830011736 DXGLUJBOBNOYOB-MHZLTWQESA-N 481.596 5.024 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1 1830606546 PFNUOCPKRUZKGY-FTJBHMTQSA-N 481.706 5.282 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c1 1830715497 AXQHTELMIYKFGX-OAQYLSRUSA-N 465.550 5.052 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(Cl)c1 1830722185 CKWPDQYNWYVYMY-SANMLTNESA-N 489.019 5.169 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831239517 ZKYJKDKWLCEAHB-JOCHJYFZSA-N 483.505 5.465 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1831369526 CNBWPESMWUHAGC-HYBUGGRVSA-N 452.639 5.236 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1831370503 SRIQRIRVEARDAM-RDPSFJRHSA-N 461.046 5.331 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1831371192 UYNBOVIZFZBQPU-NBGIEHNGSA-N 463.597 5.333 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686353 DYPYPVFZTDVGCZ-YVWYTEFXSA-N 491.495 5.001 30 20 JKED CCOc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634022 QVDBUJODEFDIEO-HFZDXXHNSA-N 473.617 5.259 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832635755 QWVSHPBRIZYEKC-XJGOYTCSSA-N 482.628 5.488 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1832737775 PMISIASJDSLBER-DEOSSOPVSA-N 488.072 5.524 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)c1 1845375014 HREMECXTXJVAOC-OAHLLOKOSA-N 475.898 5.117 30 20 JKED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1cccc(Oc3ccc(C(F)(F)F)cc3Cl)c1)C2 1846370318 IZFBCQMWGFXYAD-CQSZACIVSA-N 498.954 5.286 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10756988 RNVYPZDJCPNGMN-UHFFFAOYSA-O 456.006 6.387 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1cccc(Br)c1 11084969 JTBKYCQHPMHSCL-UHFFFAOYSA-O 471.444 5.305 30 20 JKED C[C@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)Nc1cccc(C#N)c1 16543242 BWSAISIJQANFQI-NSHDSACASA-N 460.382 5.035 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(CC#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 17368426 FUCNDUQHKFKGNI-UFHPHHKVSA-N 483.568 5.201 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1ccoc1C 21134365 HLAJWDBMALKJCQ-UHFFFAOYSA-N 462.600 5.915 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 21400094 CQBJXJHZHMALIM-UHFFFAOYSA-N 477.261 5.191 30 20 JKED C=CCN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 22687345 WMJJSDBSCAZKDG-UHFFFAOYSA-O 456.418 5.586 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22731303 YNMHEZCTOKYUFY-UHFFFAOYSA-O 453.653 6.009 30 20 JKED Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)n1C 32326540 NIKZTVCLRQIBPW-UHFFFAOYSA-N 482.613 5.063 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 32962852 MWFAYNXOVGYUJL-UHFFFAOYSA-N 468.538 5.123 30 20 JKED CC(C)(C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)S(=O)(=O)c1ccc(Br)cc1 72077104 ZHYONMHSENDZEI-UHFFFAOYSA-N 484.371 5.146 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1OC 195664210 TZCNZHVRLUZXCY-OAHLLOKOSA-N 469.975 5.509 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(-c3ccccc3Br)o2)C(C)(C)c2ccccc21 207424557 WJMZVANZIZZRKQ-XDHOZWIPSA-N 470.392 5.472 30 20 JKED C=CCOc1c(Br)cc(/C=C(/CC(=O)O)c2nc3ccccc3s2)cc1OC 207520647 ZCQSTVSQIGBMIE-ZROIWOOFSA-N 460.349 5.648 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)cc1C 255294692 AHGMTYRVRGBVGS-JOCHJYFZSA-N 480.540 5.137 30 20 JKED Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 483469944 NFSDCWZHRNJDON-UHFFFAOYSA-N 497.576 6.021 30 20 JKED CC(C)c1nccn1Cc1cccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 485946192 UFRJQZFGNHQLQY-UHFFFAOYSA-N 484.560 5.030 30 20 JKED CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)s1 492730758 YOVANFCQDMTYEJ-UHFFFAOYSA-N 490.635 5.783 30 20 JKED Cc1cc(C(=O)N(Cc2ccco2)c2ccccc2C#N)c2cnn(Cc3cccs3)c2n1 501004649 ZLWUHRCMGRQWDN-UHFFFAOYSA-N 453.527 5.161 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)N(C)CCC#N)nnc1-c1ccc(Cl)cc1Cl 501554911 UJMUIBHOCWNGSA-OAHLLOKOSA-N 474.417 5.402 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502659928 GCPUXJRFPNAFTB-UHFFFAOYSA-N 481.556 5.002 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cn3cccn3)cc2)cc1Cl 504087216 VTVKIQBUPQAXAH-XMMPIXPASA-N 455.949 5.562 30 20 JKED CCCC1CCC(N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)CC1 504830491 IFICLAYACIVWFX-UHFFFAOYSA-N 452.599 5.619 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nnn(-c2ccccc2Cl)c1C 504911451 GMGSIDOKAJQAJY-UHFFFAOYSA-N 457.921 5.241 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 506100820 IYULQZPYKVFGRQ-MRXNPFEDSA-N 472.998 5.208 30 20 JKED N#Cc1c(NC(=O)CCc2ncc(-c3ccccc3Br)o2)sc2c1CCCCC2 506237188 VPESDUPTIIQTHY-UHFFFAOYSA-N 470.392 5.877 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509673632 PWALWBUSIHEPQF-HSZRJFAPSA-N 492.373 5.506 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 509940443 DMYFSWPBLAUFLB-GOSISDBHSA-N 479.577 5.898 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)cc1Cl 510046797 YHIAGORELGGRRI-HSZRJFAPSA-N 464.997 5.252 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510090656 RYDKVXYRACTIBU-LBPRGKRZSA-N 478.430 6.234 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC 514422348 XWLFTLYWEOGHBJ-UHFFFAOYSA-N 482.334 5.476 30 20 JKED CCOc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1OC 515377695 HKVNXMMMSKQXPG-JOCHJYFZSA-N 454.530 5.400 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 517925140 CVCYOBITGGHAQW-INIZCTEOSA-N 487.946 5.523 30 20 JKED O=C(Nc1ccc(F)c(F)c1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 518129955 HKAIAOAHJFKOKL-UHFFFAOYSA-N 470.707 5.547 30 20 JKED COCc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)sc2cccc(F)c12 518667687 IQCDGXAANJAUNI-UHFFFAOYSA-N 468.497 6.464 30 20 JKED COc1cccc(CC(=O)N2CCc3ccc(NC(=O)N(Cc4ccc(C#N)cc4)C(C)C)cc32)c1 519073172 BPWDXWVOOWIVOK-UHFFFAOYSA-N 482.584 5.141 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 519426749 ZOEAXIVWJUOUSM-SFHVURJKSA-N 483.590 5.054 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccncc4)c3)cc2)cc1 519989777 MTURKSBLOMJRAW-UHFFFAOYSA-N 463.497 5.320 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1C 520470898 XMYQTFOPYZHWNW-JOCHJYFZSA-N 479.584 5.546 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 521725487 FZNHXCCTJCMRPY-AWEZNQCLSA-N 484.375 5.798 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4[nH]c5ccccc5c4C3)cc2Cl)c1 524439485 YEMBBLHBYRZHRE-UHFFFAOYSA-N 456.933 5.862 30 20 JKED COc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccccn2)CC3(C)C)cc1 590613785 MIMICECHGNGUBX-FLIBITNWSA-N 498.652 5.872 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)nc(O)c2c1C 603530258 BZKOAWOEPZSTFP-KRWDZBQOSA-N 468.648 5.192 30 20 JKED C[C@H](NC(=O)c1cccnc1SCc1ccc(Br)cc1)c1ccc(C#N)cc1 603737610 STUHWTPJRBMSHP-HNNXBMFYSA-N 452.377 5.499 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1cccnc1)c1ccc(Br)cc1 603990503 VLHXYJSQETVUEH-UHFFFAOYSA-N 480.362 5.117 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)c4cccc(F)c4)c3)cn2)c1 604088298 MXGSIFMIJAMCLG-UHFFFAOYSA-N 481.487 5.459 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 604491573 USYZSGZTEWHCOR-UHFFFAOYSA-N 467.978 5.063 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 608805870 NWUUCDDFGZQDRK-VWLOTQADSA-N 484.512 5.119 30 20 JKED Cc1oc(-c2ccsc2)nc1CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 608845654 SGGRXEWLLLKZCP-UHFFFAOYSA-N 456.552 5.575 30 20 JKED C[C@H]1CN(c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cn2)C[C@@H](C)O1 609063298 XOVJQJNTYKORQW-HDICACEKSA-N 476.964 5.052 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)o2)cc1 609063604 GQIZMEIJCKTVPB-UHFFFAOYSA-N 453.498 5.372 30 20 JKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609086205 OECGGKCCHQCESA-DEOSSOPVSA-N 471.557 5.116 30 20 JKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609088470 ALKLWVUYJAZYKA-AREMUKBSSA-N 455.558 5.384 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1 609104323 VAGLKODCFCFANQ-UHFFFAOYSA-N 489.597 6.586 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609185360 YFLNESLYBDNBOJ-UHFFFAOYSA-N 456.329 5.512 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)s2)cc1 609357142 RSBUISFKGDMBOQ-SFHVURJKSA-N 496.592 5.907 30 20 JKED COc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc(OC)c1OCc1ccccc1 609377365 VSCBKFUKXQOGAL-GOSISDBHSA-N 462.571 5.787 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 609427743 HSNVWHBOUFLOAZ-GOSISDBHSA-N 450.585 5.307 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1 613318303 WPYDXRGXLMMBMS-QFIPXVFZSA-N 455.514 6.000 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c12 613403474 PWXGKUQMSGJBHD-AWEZNQCLSA-N 463.975 5.758 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(OC)c(OC)c1Br 614513566 SXRFQGCMUSKFHX-UHFFFAOYSA-N 460.397 5.127 30 20 JKED C=CCn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1-c1cccc(C)c1 615346379 CYBVVYKOHSJNKI-UHFFFAOYSA-N 474.409 5.606 30 20 JKED O=C(NCC(F)(F)F)C1CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)CC1 615681128 BHGVQMUIZLTNDS-UHFFFAOYSA-N 476.392 5.042 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccccc1F 644448824 OYJMVVPWEBSZCQ-UHFFFAOYSA-N 466.626 6.638 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(N2CCCC2=O)cc1 726244873 OLPAVFGAVFRPTC-HXUWFJFHSA-N 470.548 5.297 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccco1)c1cccs1 726421534 QYXLZEOOBYBRTN-LFBRLHLCSA-N 457.552 5.070 30 20 JKED CCc1cccc[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1ccc2c(c1)Cc1ccccc1-2 726569568 FCRIVLCIADLSGG-UHFFFAOYSA-O 492.624 5.614 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)O[C@@H](C)c1cccc(C#N)c1 727639836 TUKHWFKBDUZXGL-HOTGVXAUSA-N 475.595 5.862 30 20 JKED Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Cl)c1 728297244 FOLOXUASDIDLCZ-QGZVFWFLSA-N 451.929 5.986 30 20 JKED Cc1oc2c(CN3CCC(Oc4cccc(C#N)c4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 729467081 KIOHZHSLJSNOFP-UHFFFAOYSA-N 466.537 5.389 30 20 JKED Cc1ccccc1CN(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 729559224 LSHHGNGRNRZEAK-WCTVFOPTSA-N 490.629 5.042 30 20 JKED Cc1cc(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)sc2n1 729677891 DHRYCOUCBPIXLM-CQSZACIVSA-N 453.589 5.299 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)cc1 729889313 NGDGTLFPNQMUEY-HNNXBMFYSA-N 461.768 5.841 30 20 JKED COc1cccc(NC(=O)/C(=C/c2ccc(OC)c(OC)c2Cl)C(=O)c2ccccc2)c1 730435151 XXDPXAORBDHMPW-XSFVSMFZSA-N 451.906 5.271 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730460906 IMRACHLXHHAVSY-GOSISDBHSA-N 465.472 5.357 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730463196 UAEBWESXRWYOHW-FQEVSTJZSA-N 471.504 5.200 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2cc(F)ccc2s1 730696611 YZWOOQKECKHZPE-ZHRRBRCNSA-N 454.885 6.224 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 731024603 ASYLTDHERHUBHM-VVLLFNJHSA-N 477.611 5.603 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Br)ccc1Cl 731062886 MXLZEUXPQSZKOD-LBPRGKRZSA-N 467.772 5.292 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(SC(F)(F)F)cc1 731064710 WQQGEOBFCQMFFG-ZDUSSCGKSA-N 454.495 5.488 30 20 JKED Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1 731069787 MGHIOINUIMMERB-KRWDZBQOSA-N 465.600 5.237 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 731077557 LUQJOMXQLJGOMR-CABCVRRESA-N 465.402 5.748 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 731114740 XAXOLSKMFAMYAR-BFUOFWGJSA-N 457.905 5.163 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)O[C@H](c1ccc(Br)cc1)C(F)(F)F 731147653 SNLNEHWIXJZOMG-LJQANCHMSA-N 472.257 5.335 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(C)c2)cc1 731304941 CNKJUVGQEOTEID-HSZRJFAPSA-N 493.560 5.009 30 20 JKED Cc1ccc2c(c1C)OC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731305292 BOZQASCSLYMIMM-XZOQPEGZSA-N 487.581 5.103 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)c(C)s1 731305874 HKTWIUUAGNZZDS-ZHRRBRCNSA-N 479.627 5.792 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 731309077 SKQNTPQCVJRVQZ-MBSDFSHPSA-N 474.586 5.126 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCc2c(F)cccc2F)C1=O)Nc1cccc(O)c1 731310532 JXTIBZJVEMPRSJ-QFIPXVFZSA-N 499.514 5.013 30 20 JKED COc1ccc2c(c1)OC[C@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)C2 747560719 FSKPTPWGPOPCTP-DYVFJYSZSA-N 459.354 5.553 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O 747600369 QFLUGCWLRAZRNH-LJQANCHMSA-N 485.034 5.308 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)s1 747975793 FEXDTENPTWXKPU-HSZRJFAPSA-N 458.587 5.138 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(Cl)c(Cl)c1 837527842 AIJCPXPTPCXHOR-QFBILLFUSA-N 478.401 5.133 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)CCc1ccco1 838481052 HEPUTXWPTDXOOY-FDDCHVKYSA-N 477.586 5.270 30 20 JKED CC(C)(C)OC(=O)NC1(c2noc(C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)n2)CCCC1 904418539 QDLMGAABAPGJLG-UHFFFAOYSA-N 486.016 5.447 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915101014 AICDIBQIDCHYLH-KXAJWGBNSA-N 476.001 5.592 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2n1C(F)F 915104231 NQZDYOUUMCJMTF-ACJLOTCBSA-N 477.298 5.219 30 20 JKED COc1cc(/C=C/C(=O)c2cccnc2)ccc1OCCOc1cccc(Br)c1 916137052 JFGFGSQJJWQPPR-VQHVLOKHSA-N 454.320 5.207 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)SC2=Nc2ccccc2)cc1 916204631 HQUMJWAYWOGMIF-DEOSSOPVSA-N 487.581 5.058 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2ccccn2)c1 916207814 MFPYFBCZIVSUDH-NRFANRHFSA-N 498.530 5.569 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C[C@H]1CCCO1 916216851 ZZSKYXLCRVGBAA-HYBUGGRVSA-N 473.598 5.288 30 20 JKED O=[N+]([O-])c1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1N1CCCCC1 916546301 KOOSEDZOTVJIOM-UHFFFAOYSA-N 456.959 5.005 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 916905057 LQJSXRXJTHUJAN-SFHVURJKSA-N 462.889 5.255 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944550 HNWUKZVVHFALET-AWEZNQCLSA-N 452.363 5.309 30 20 JKED COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccc(Br)cc3)c2C)cc(OC)c1OC 917143126 CEBDDKFITMBZNM-KHPPLWFESA-N 471.351 5.174 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cc2ccccc2n1Cc1ccccc1F 917507072 NHOJTFKIMZZCIJ-HXUWFJFHSA-N 485.515 5.156 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C=Nn1c(S)nnc1-c1ccccc1Cl 917537984 DNLWIAHJCDNACR-UHFFFAOYSA-N 487.814 5.334 30 20 JKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1 917560470 ZTKBQMNHRMGKON-XNTDXEJSSA-N 495.576 5.110 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(C)s2)C1=O 917682996 OUFKVKXWZPFUQE-QFIPXVFZSA-N 479.627 5.534 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 917706990 GMNKMKLFZBUPGY-KSFYIVLOSA-N 489.988 5.328 30 20 JKED Cc1nccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccc(C)o2)CC3(C)C)n1 919465050 WEHUQYNTRDCARF-SOFGYWHQSA-N 488.569 5.193 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2ccccc2s1 920105622 CCAQYWGTESQWEO-BBRMVZONSA-N 453.976 6.103 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2C)cc1Cl 920106061 RDFBHVPCGXZRLI-OAQYLSRUSA-N 458.949 5.375 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920107892 ICULVBCZHSFWPU-HNNXBMFYSA-N 481.311 5.455 30 20 JKED Cc1nn(C)c2nc(Cl)c(C=NNc3ccc(S(=O)(=O)c4ccc(C(C)C)cc4)cc3)cc12 920365397 AENPNFMEDLCLJF-UHFFFAOYSA-N 482.009 5.332 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2F)C[C@H](C)O1 920937919 HPCAQFKLNLTNLH-PMACEKPBSA-N 490.554 5.684 30 20 JKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)NCC2CCC2)cc1 1325863348 AYGASKMRZIPYBF-UHFFFAOYSA-O 454.660 5.473 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)cc1 1785796169 VRBWKRNTZILXFZ-UHFFFAOYSA-N 492.501 5.353 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ccc3F)CCC2)cc1 1786365730 OJKWEQCMQPIAJL-UHFFFAOYSA-N 489.385 5.319 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccn4)nc3)cc2)CCC1 1787005558 HSDLUGRJLWKARQ-UHFFFAOYSA-N 469.589 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)nc5n[nH]cc45)cc3)CCC2)c1 1788383807 HANJRKZIBRSILF-MRXNPFEDSA-N 498.974 5.300 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)s1 1788649253 DWGJPPUHHLCVDO-ZHACJKMWSA-N 465.600 5.008 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cccnc45)cc3)CCC2)c1 1788910936 QEOBAEGDOYJNDR-UHFFFAOYSA-N 476.536 5.177 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)CCC1 1789026158 OEHMWAAGVNBVRC-UHFFFAOYSA-N 498.446 5.597 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(Cl)n3)cc2)CCC1 1789905235 QXHLXZFYDBJXAH-UHFFFAOYSA-N 462.377 5.119 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789934534 FAUUAWJOSFZGBS-RUZDIDTESA-N 469.585 5.069 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)CCC3)cc2)c1 1790144350 DSBNMGPUVWFLNK-LLZJGCNPSA-N 479.584 5.012 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1790565711 AIFNDMJJRWZRKD-HXUWFJFHSA-N 470.573 5.297 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5nc4O)cc3)CCC2)c1 1790868100 WTMQENAWTAYUSE-SFHVURJKSA-N 491.551 5.024 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)cc2)CCC1 1790986268 RIUNOWOCPQNMGK-UHFFFAOYSA-N 488.535 5.249 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C(F)(F)c4ccco4)cc3)CCC2)c(Cl)c1 1791080014 BOZLBPZRLCLBBM-UHFFFAOYSA-N 469.875 5.344 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4F)cc3)CCC2)c1Cl 1791368551 NAXFPXIQWOLKDO-UHFFFAOYSA-N 477.923 5.177 30 20 JKED COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)C1 1791564339 ZGVNIBMJYJMYKH-KJXAQDMKSA-N 487.600 5.041 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccn5)[nH]n4)CCC3)cc2)c1 1792124624 BKJKDEWXLZTKHO-IBGZPJMESA-N 490.567 5.160 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCn4cccc4)CCC3)cc2)c1 1792126582 GEJZNABZNOGETO-NRFANRHFSA-N 454.574 5.343 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnc(C)s3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204323 WYBMJMDCCKWTJV-HXUWFJFHSA-N 498.649 5.059 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)/C(C)=C/CC)CCC2)cc1)NC(=O)OC(C)(C)C 1792205991 FYKOQYJCOCHBAA-QRYXZWMLSA-N 469.626 5.336 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)CCC2)cc1 1792266632 AMFPPPRXFSKBAP-FGZHOGPDSA-N 465.391 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1)C2 1793054982 MGRXIXSARLWSKW-VJLHXPKFSA-N 485.672 5.266 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(C(F)(F)F)cc3)[nH]n1)C2 1798591594 ALBZIRFCULMZJO-ACDBMABISA-N 488.554 5.340 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(Br)cccc2-c2ccccc2)C1 1799280629 HSLPKOZWOJBITC-WKCHPHFGSA-N 479.418 5.334 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(O)c2cc1OC)c1ccccc1 1801043914 CXCILQCOWKADSE-ZFFYZDHPSA-N 496.607 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Cl)cc(C(F)(F)F)c1 1802461897 DFDATEWPLWUSGY-WOZUAGRISA-N 468.947 5.308 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1802495475 FOWAJISPTKCVIV-YIXXDRMTSA-N 472.633 5.194 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1803082733 XGTUSIBVORERBI-BFMBIBTESA-N 466.025 5.313 30 20 JKED Cc1c(Cl)ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc(C#N)c2)C3)c1Cl 1803530535 JUHAYEBKMYMIAL-ACDBMABISA-N 470.400 5.058 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CC[C@H]3CNc4ccccc4C3)CC2)C1 1805453812 ZXKWZAUPJNLNDV-HSZRJFAPSA-N 463.666 5.051 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3occc3NC(=O)OC(C)(C)C)CC2)C1 1805456412 VBDSCOCGNCDDOP-UHFFFAOYSA-N 485.625 5.240 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)C1 1806018815 HAOLYLVWTIDXFD-UHFFFAOYSA-N 486.962 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(F)c(F)c3)CC2)[C@@H]1c1cccnc1 1807337569 KOSFLIAGAOJHGB-RDPSFJRHSA-N 481.587 5.090 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1 1807479134 ZFPPHTHFOUVFOR-JDXGNMNLSA-N 494.639 5.248 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1808710083 YCDLXXKHDSJZNL-GHTZIAJQSA-N 477.527 5.314 30 20 JKED CC1=CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CC1 1809487823 GAZXQWJTBQSGBE-ZCVJKFOLSA-N 496.533 5.038 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810267076 GLEWLBGJNJRZDO-NVQXNPDNSA-N 496.127 5.414 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cn(-c4ccccc4)c4ncccc34)C2)CC1 1810451723 SFUBSWQCTRNRDW-VWLOTQADSA-N 496.655 5.639 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(F)c2Cl)[C@@H]1c1cccnc1 1811094981 LNTMSRBWAFDYCX-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@H]1c1cccnc1 1813229843 CXNYSKUWUUZHHR-FIBWVYCGSA-N 497.614 5.325 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccc(Br)cc4s3)[nH]n2)C1 1814395126 HUNITOTXXNMQEV-SFHVURJKSA-N 499.434 5.659 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815683816 FCXXIHPZLLBCEM-QHCPKHFHSA-N 485.028 5.683 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cnccc2C(F)(F)F)n[nH]1 1815793862 PGOPIZYBDCKVNQ-WIYYLYMNSA-N 489.542 5.217 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)cc1 1816999236 BJPQGVOMQJRDDB-XMMPIXPASA-N 490.007 5.192 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)[nH]n1 1819307223 QAHJAUFFVZOGSW-VQIMIIECSA-N 465.579 5.201 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434636 GQQXXZYMDKMYFY-XXBNENTESA-N 474.561 5.099 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccccc3)[nH]n2)cc(C(F)(F)F)c1 1821309121 WSIGCPRXZOJWAJ-JOCHJYFZSA-N 495.505 5.239 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccoc34)n[nH]2)c1Cl 1821537191 LPGOSIIIMKOSCZ-FQEVSTJZSA-N 473.920 5.301 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1821925238 ONXSMGVJSUHZGF-LIRRHRJNSA-N 462.953 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ncccc34)[nH]n2)c1 1823215056 MCHSJKJVQBVSFI-CJAUYULYSA-N 478.556 5.205 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216178 CZIAQOVGKACJBJ-GAJHUEQPSA-N 459.525 5.104 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216184 CZIAQOVGKACJBJ-UZUQRXQVSA-N 459.525 5.104 30 20 JKED COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1Cl 1823245258 MAHKQGUZXJLBEB-ZHRRBRCNSA-N 491.979 5.318 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Br)CC1 1823929984 OOOAEIKNEJJQLV-IERDGZPVSA-N 465.407 5.034 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824052820 UASFQSKSMBLFLK-AREMUKBSSA-N 489.660 5.623 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2SCC)CC1 1824143880 SDSMVQGXOKGOBP-JOCHJYFZSA-N 455.668 5.195 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1824144694 CEKWXSRBOCPNGR-NSOVKSMOSA-N 477.693 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC(=O)OC(C)(C)C)CC2)c1 1824219812 CKFNYACCJUPEIM-BWKNWUBXSA-N 495.664 5.059 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](c3ccccc3)C(C)C)CC2)c1 1824242530 VPDJZFTYONIZID-VSGBNLITSA-N 487.644 5.240 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1824508477 WMCARKVAMZDLCE-URXFXBBRSA-N 489.616 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1 1824891351 PGWWBJIAWQQFLZ-NHKHRBQYSA-N 491.720 5.287 30 20 JKED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)CC2 1825129999 GLCLGNGIKNYAKR-NVXWUHKLSA-N 474.586 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1825219228 LBJGTFUDQNJOLZ-QHCPKHFHSA-N 493.614 5.645 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)CC1 1825687081 IKFZWBPPWSVZAQ-SFTDATJTSA-N 463.544 5.102 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC[C@@H]3CNc4ccccc4C3)CC2)cc1 1826950315 DJVJGYQVDJRPIP-PWUYWRBVSA-N 498.671 5.051 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827772958 KHVZAGVLELGLBS-FQEVSTJZSA-N 453.549 5.259 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828515860 YOMIWECMGRWIAT-CJFMBICVSA-N 469.576 5.448 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1828822936 BTMMPRUXWHMXLH-GOTSBHOMSA-N 489.701 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2OC)CC1 1828829722 MVNXAYJWXZVTMT-IFMALSPDSA-N 459.030 5.350 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccncc2)CC1)c1ccccc1 1829030501 PJWRNIOCENSLOC-WDYNHAJCSA-N 485.672 5.221 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830037930 ZDSCAJOLOPLNFO-XMMPIXPASA-N 499.533 5.133 30 20 JKED COc1ccc(C2(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)CCC2)cc1 1830302704 FSIDTIXMHXGNST-NDEPHWFRSA-N 499.655 5.116 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831377250 WUDAAVZNEYIRRI-IIBYNOLFSA-N 476.543 5.027 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832731042 CIXFMAPRBAFSNG-JOCHJYFZSA-N 478.555 5.059 30 20 JKED COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1F 1832751889 CBLRZWVXFAVKTD-CYFREDJKSA-N 477.580 5.008 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccccc2C#N)CC1 1832790795 QJBMCFALYPOWKR-DEOSSOPVSA-N 491.632 5.070 30 20 JKED Cc1cccc2cc(C(=O)N3CCC(OC4CCN(C(=O)c5cccc([C@H](C)C#N)c5)CC4)CC3)[nH]c12 1838310744 HUEGFPSHMYIIQN-OAQYLSRUSA-N 498.627 5.029 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)cc1 10173569 FJBULQZGQHMGCW-UHFFFAOYSA-O 457.663 6.374 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15247946 TXZLVGDSAAJHLI-UHFFFAOYSA-O 461.350 5.548 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 20056007 DCBOSJUTAQHAIE-UHFFFAOYSA-N 473.627 5.397 30 20 JKED COc1ccc(CCn2c(SCC#N)nc3scc(-c4cccs4)c3c2=O)cc1OC 21244430 COMAEZJSJQKVPQ-UHFFFAOYSA-N 469.613 5.062 30 20 JKED C[C@@H](Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)C(=O)NC1(C#N)CCCCC1 22181210 GUCCQUSUWXGHME-GFCCVEGCSA-N 471.530 5.004 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 22695290 MJBJLNMJWYYOGL-UHFFFAOYSA-O 489.404 6.111 30 20 JKED C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)N(CCC#N)c1ccc(F)cc1 23998676 PDPXWOOOOKUKPO-KRWDZBQOSA-N 465.598 5.346 30 20 JKED CC(=O)N(c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1)c1ccc(C)cc1C 24284821 TZEYFCRULWBIJT-UHFFFAOYSA-N 476.549 6.331 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccco1 25633224 YNWSESZRLFWHLR-OAQYLSRUSA-N 450.589 5.092 30 20 JKED CC(=O)Nc1ccc(-c2csc(/N=C(\O)c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)c(F)c1 29356987 ZLPKCMCYUMWQTD-UHFFFAOYSA-N 496.951 5.407 30 20 JKED Cc1ccc2sc(N(Cc3ccccc3)C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)nc2c1C 116904685 GHPVQTXQVYVYRO-UHFFFAOYSA-N 494.624 5.610 30 20 JKED CCN(C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)[C@@H](C)c1ccc(C#N)cc1 302963461 PIANZBIGILRTOY-UQBPGWFLSA-N 456.546 5.060 30 20 JKED COc1ccc(CCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1Br 303151800 GCDARQGRPXHEGN-HSZRJFAPSA-N 479.374 5.350 30 20 JKED Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(=O)c12 303310830 QWSWXUUOIHTZNY-INIZCTEOSA-N 474.611 5.324 30 20 JKED Cc1cc(N2C[C@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2=O)ccc1Br 303358690 PKODZVTZGDRIIV-HZPDHXFCSA-N 472.408 5.143 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 480409789 ULWBKTVMZYCPTN-MRXNPFEDSA-N 466.463 6.021 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2C(F)(F)F)cc1Cl 484012223 UVWPBTWRMLXKGN-IBGZPJMESA-N 471.866 5.269 30 20 JKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 498370104 AZGXRWPKIPIXHX-UHFFFAOYSA-N 482.533 5.265 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c1C#N 498620859 WUKHWAOPMYDLCX-UHFFFAOYSA-N 454.555 5.008 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O 499104377 YATIWSPEQHMUHB-UHFFFAOYSA-N 470.598 5.134 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 506733624 STXPYFLKLWRWLB-UHFFFAOYSA-N 476.508 5.520 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 508140578 BYQHFJIQUDIXON-UHFFFAOYSA-N 463.541 5.001 30 20 JKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509889956 HPUNRQTULSGQNN-UHFFFAOYSA-N 469.463 5.894 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)cc2)cc1 511066063 VJUPJOJSCUQQIL-UHFFFAOYSA-N 478.639 5.813 30 20 JKED COc1cc([C@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1OC1CCCC1 511278709 YOXDGPNWDXKLNX-IBGZPJMESA-N 463.578 5.202 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc(C(F)(F)F)cn1 513220273 UWEYUILGGJSWIF-CQSZACIVSA-N 478.224 5.198 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc12 514319903 DFVJRRNYQQUWBM-UHFFFAOYSA-N 490.032 5.269 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1nc2ccccc2n1C(F)F 515540058 AESPWTLVUODUBP-QGZVFWFLSA-N 496.311 6.263 30 20 JKED COc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OCc1cscn1 515651012 IXJLJADJCQFBRW-UHFFFAOYSA-N 485.565 5.628 30 20 JKED C=CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(OC)c1 515740879 RWTBMVAAFDKZCF-SFHVURJKSA-N 462.521 5.071 30 20 JKED COc1ccc(C)cc1NC(=O)[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 515756283 VLEQDMAFWCVNCE-GDLZYMKVSA-N 477.564 6.246 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)cc2Cl)cc1 515795092 SHRMKQYUUBOXHX-UHFFFAOYSA-N 492.938 5.569 30 20 JKED C=CCn1c(SCC(=O)NCCc2ccc(Br)s2)nnc1-c1ccc(Cl)cc1 516823559 COJSCCTVWQIINC-UHFFFAOYSA-N 497.871 5.060 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4SC[C@H](C)C#N)cc3)o2)c1 517456165 AYPYUDMIKORLOJ-GOSISDBHSA-N 454.555 6.216 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccc(OC(F)F)c1 518778483 LYYRWPPMMVHWPC-MRXNPFEDSA-N 481.524 5.381 30 20 JKED O=C(NCc1cc(F)cc(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 519401013 ALMBRFYBUGDADB-UHFFFAOYSA-N 466.744 5.085 30 20 JKED C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 519514567 KFMABVRSFMLISU-SFHVURJKSA-N 482.565 6.103 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(-c2ccccc2)cs1 520199586 AIWOTGAWAOAINA-QGZVFWFLSA-N 468.538 5.290 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 521092617 PLZACCPBLINVGJ-LJQANCHMSA-N 450.539 5.138 30 20 JKED C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 521223606 HHTPTGKNFDGKPN-WRONEBCDSA-N 486.575 5.411 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCSCC(=O)Nc1ccc(Br)cc1 521328731 FVLDMRVADFXDTL-OAHLLOKOSA-N 492.464 5.544 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2OC(F)F)nnc1-c1ccc(Cl)cc1Cl 523275617 DYCDKNAAJSMRLT-UHFFFAOYSA-N 499.370 6.079 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1c(C)nn(Cc2ccccc2)c1C 524442645 VUASFNCKCSUCOT-UHFFFAOYSA-N 479.584 5.629 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)c2)cc1 524558559 OWYYCNJALHJMHF-SANMLTNESA-N 487.987 5.581 30 20 JKED CC(=O)N1CCc2c(sc3nc(-c4c[nH]c5ccccc45)c(C#N)c(-c4ccc(C)cc4)c23)C1 541587058 OUHVBXSAAVAMHA-UHFFFAOYSA-N 462.578 6.196 30 20 JKED C=CCN(C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 553300238 YUBKVZPJBLXQLI-INIZCTEOSA-N 494.024 5.206 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 583222910 KUEXYNSVFWODTP-UHFFFAOYSA-N 457.618 5.737 30 20 JKED C=CCN(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 596340001 LCCXPYMDGDGXRA-QGZVFWFLSA-N 485.514 5.062 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)s2)cc1 602877399 MQNUVPNDHMRVFE-UHFFFAOYSA-N 471.567 5.207 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 603532381 DFUZSZZVHAXVAH-UHFFFAOYSA-N 469.564 5.379 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)s2)cc1 603829757 RBVHTMAWHFFQJS-QGZVFWFLSA-N 476.587 5.255 30 20 JKED COc1ccc(C[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2)cc1OC 608948529 CDRKHHXKONMYNQ-XMMPIXPASA-N 482.536 5.461 30 20 JKED CN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 608969316 ODWZWNGIOBZCOK-UHFFFAOYSA-N 469.610 5.227 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)cc2)c1 609064862 MTOAHCVNMIQDLW-UHFFFAOYSA-N 496.876 6.247 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(Cn4cccn4)cc3)cc2Cl)c1 609079638 IKAPYOINRHLUAH-UHFFFAOYSA-N 471.948 5.357 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 609089078 NYVVBFPGSHHYTJ-LBNVMWSVSA-N 497.595 5.011 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(OCc4ccccn4)cc3)c2)cc1 609209962 YFBNKIHARQIOOD-UHFFFAOYSA-N 450.498 5.646 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 609406293 KHLXKJCPNFOGJC-IBGZPJMESA-N 485.609 5.185 30 20 JKED O=C(NCCc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 616199693 HWYOFWZWISJTGN-UHFFFAOYSA-N 472.307 5.040 30 20 JKED Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622379064 HDMCLDRWDFNKQP-UHFFFAOYSA-N 459.312 5.361 30 20 JKED O=C(c1ccc(C(F)F)nc1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517862 QCGIVRVFGVQUSW-HNNXBMFYSA-N 454.317 5.271 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 726393405 OIOAPRNJCUDCAA-YJYMSZOUSA-N 498.407 5.518 30 20 JKED CNC(=O)C[C@@H]1S/C(=N/[C@H](C)c2ccc(Cl)cc2Cl)N(Cc2sccc2C)C1=O 726395628 FHNYUYRIQPPFDA-AGOSAIAWSA-N 470.447 5.061 30 20 JKED COc1ccc(C(C)=NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)cc1NC(C)=O 726417289 CFYPDOWOTJRCSX-UHFFFAOYSA-N 479.602 5.446 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC(F)(F)F)c1cccs1 726421652 RIEATGQUGJMTQN-XDDRMFMYSA-N 491.560 5.853 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=S)Nc3ccc(C#N)c(Cl)c3)c2)c(C)c1 726434263 HHAWXOVKGKIOHL-UHFFFAOYSA-N 485.034 5.747 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2ccccc2F)c1 726504020 GYTOKDJUSUWAAN-UHFFFAOYSA-N 458.942 5.137 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)c(C)cc2C)cc1 726571930 OQTGWXPZNUIJQJ-UHFFFAOYSA-O 463.026 6.310 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)CC(C)(C)C)ccc1Cl 726925737 XNRDISCKVLTMJH-UHFFFAOYSA-N 469.434 5.493 30 20 JKED CCc1ccc(C(=O)Nc2sccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 726938271 LOOSJJHBEOPGBA-UHFFFAOYSA-N 482.565 6.183 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1 727934073 KTTATGVRGAGLNP-UHFFFAOYSA-N 480.402 5.361 30 20 JKED Cn1c(Cl)nc(Cl)c1/C=C1\CN(c2ccccc2)C/C(=C\c2c(Cl)nc(Cl)n2C)C1=O 728439881 GMSRSFFBVJYZOC-QHKWOANTSA-N 497.213 5.324 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 729188868 RPKCJBSBYQFIEG-KRWDZBQOSA-N 487.409 5.114 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)cc1F 729634570 OGWQJLOWNHPMSZ-QFIPXVFZSA-N 498.530 5.276 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc2ccccc12 730710997 WPSYHCBPZJGOEI-HXUWFJFHSA-N 487.610 5.160 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cocn3)C2=O)cc1Cl 730711544 DUSCSZMLVCILIA-OAQYLSRUSA-N 498.992 5.114 30 20 JKED O=C(Nc1cccc(C(F)(F)F)n1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 730966622 APQAFINJHMKFDM-UHFFFAOYSA-N 485.722 5.543 30 20 JKED Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)cc1F 730994678 LQBIDWOQFMLCGQ-CQSZACIVSA-N 465.472 5.150 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 746696880 WVUSOCVKCZLEJB-IBGZPJMESA-N 495.979 5.394 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747002548 RCWOMLPZSBATKE-UZUQRXQVSA-N 465.475 5.519 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O 747598648 CNCLPUKADUSUME-NRFANRHFSA-N 498.605 5.232 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1 748583660 IKLPKSHYFRVIMN-WJDWOHSUSA-N 479.536 5.460 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@H](C)CCc2ccco2)C1=O 837302191 SYISWSNGAVVQKX-UZUQRXQVSA-N 495.576 5.409 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCc3cccs3)C2=O)cc1 837519058 INCXDKPHVAHDBN-QFIPXVFZSA-N 477.611 5.154 30 20 JKED Cc1cc(-c2nc(C)c(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)ccc1F 883978789 VLRYGVMUCPHRKJ-BETUJISGSA-N 454.411 5.769 30 20 JKED N#Cc1ccc(Cc2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)cn1 904670821 SDZJFBNZGTZGQQ-UHFFFAOYSA-N 457.799 5.454 30 20 JKED Fc1ccc(-c2noc(-c3cnn(-c4ncc(C(F)(F)F)cc4Cl)c3C(F)(F)F)n2)nc1 904938677 BAFBRHFEQHUASC-UHFFFAOYSA-N 478.715 5.209 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCC(C)C)c1 913120462 ILGPJAXRLXRESS-QHCPKHFHSA-N 480.634 5.268 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1cccc(NC(C)=O)c1)c1ccc2c(c1)OCCO2 913145044 GOUARJYTRJLJTM-UHFFFAOYSA-N 489.597 5.385 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCCc2ncc(-c3ccccc3)o2)n(C2CCCCC2)c1C 915508542 CSPXOYRIBMDEPN-UHFFFAOYSA-N 488.588 5.641 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1Cl 916057328 QLKALEQVHKXYPO-DEOSSOPVSA-N 457.961 5.760 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)cc1 916137109 KXRDKRMYCUFWOO-QPEQYQDCSA-N 485.458 5.636 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CCCO2)C1=O 916212911 UHYBNVMSHSTFRQ-FXAWDEMLSA-N 492.428 5.441 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1cccc2ccccc12 916917622 DYTYVPVZWKKSMA-HXUWFJFHSA-N 458.905 5.213 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Cl)c1OCC(C)C 916944835 ODEQTRPEGORWEE-MRXNPFEDSA-N 469.752 5.651 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 916948185 DSVCOGHGBPGVPO-QRWLVFNGSA-N 462.500 5.114 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 916953327 BOLXHFJBQCNRAQ-QRWLVFNGSA-N 451.473 5.413 30 20 JKED CSc1cccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c1 917042834 HQXYFWLGXLKOTG-LRDDRELGSA-N 475.517 5.266 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)c2)c1 917138472 FTKWIOYOKNBQGM-NDEPHWFRSA-N 474.516 5.844 30 20 JKED C=CCn1c(SCC[S@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccccc1F 917175354 FTNDCLYNNIITNO-NDEPHWFRSA-N 456.395 5.477 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(C3CCN(CC4CC4)CC3)C2=O)cc1 917669083 NIFPMKZZJQNPFK-VWLOTQADSA-N 490.673 5.138 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)c(OC)c1 917678294 RINGVJLEEPBSKY-OAQYLSRUSA-N 499.589 5.065 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 917696091 HIMVZVGGNYVJOO-NRFANRHFSA-N 496.495 5.034 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc2ccccc2c1 917702090 YINFWGYIHYMPCD-QHCPKHFHSA-N 475.570 5.003 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2csc([N+](=O)[O-])c2)c1 918872320 HLRVNTWBGGERJS-UHFFFAOYSA-N 492.962 5.048 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-])c1ccccn1 919712380 HSTQZUVTFUTCHK-CYFREDJKSA-N 477.524 6.071 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 920016546 FDCISGKSOGQWSF-NBGIEHNGSA-N 459.571 5.450 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2ccco2)C1=O)Nc1ccccc1F 920174698 DSTGFBHYNTYZPD-JOCHJYFZSA-N 463.534 5.068 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@@H]2c2ccccc2)c1C 920353162 BYCWTBRQIOZXFK-YMVVMYQSSA-N 491.657 5.072 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2c(C)noc2C)c1 920355042 HIKNDBINMQFZRL-HSZRJFAPSA-N 492.601 5.023 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ncccc2C(F)(F)F)cs1 920372725 YDQUITWVQTUNEQ-UHFFFAOYSA-N 473.402 5.706 30 20 JKED CCOc1cccc(C=Nc2ccc(OC)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1O 920942371 AKOPLJSBMBXTCJ-UHFFFAOYSA-N 460.939 5.004 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 921249125 SJZLUOKLEHXJPB-QGZVFWFLSA-N 487.946 5.198 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CSc3ccncc3)cc2)CCC1)c1ccc(O)cc1 1786770281 GBTKNIRIKBZPJS-JOCHJYFZSA-N 499.636 5.211 30 20 JKED Cc1noc(C)c1CCC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1786911175 HMGHTNHNPCALHU-UHFFFAOYSA-N 479.697 5.409 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1 1787659253 STNAMZYQJLTKDU-DNOBIOAJSA-N 469.626 5.026 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cnc5ccoc5c4)cc3)CCC2)c1 1788481334 WBUDOMQMFZISIZ-UHFFFAOYSA-N 464.525 5.080 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ncccc45)cc3)CCC2)c(C#N)c1 1788906106 CCJZQHRLXKSSTG-UHFFFAOYSA-N 490.563 5.105 30 20 JKED CN(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)c2ccccc12 1788990930 JVFVRRBKCQAMQM-NJZRLIGZSA-N 497.643 5.125 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789449089 LPNOKSPEMFFPIO-QHCPKHFHSA-N 479.621 5.066 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)CCC2)cc1 1789455210 NVYMZJHLNKCUDE-ZTCOLXNVSA-N 495.664 5.534 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cc4cccc(F)c4s3)CCC2)cc1 1789512869 FIEXKYHPRUSLLS-OGLMXYFKSA-N 478.593 5.260 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ncc[nH]5)cc4)CCC3)cc2)ccc1F 1790524519 ZFOKMMXRXBQXPA-UHFFFAOYSA-N 493.542 5.078 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)c1 1790765225 TVPKCRCESKQVDW-UHFFFAOYSA-N 482.437 5.173 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cnnc(Cl)c4)CCC3)cc2)cc(C(F)(F)F)c1 1790785476 OWLKJIPHGRVDMV-UHFFFAOYSA-N 499.880 5.082 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)CCC4CCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682005 HSEKIOLYKHINRS-QHCPKHFHSA-N 481.637 5.266 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791731939 MMEVGKRUDFRYPB-JOCHJYFZSA-N 495.664 5.351 30 20 JKED Cc1nc2ccncc2cc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123497 DYURFXOXBPJLFI-LJQANCHMSA-N 489.579 5.627 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4(C(F)(F)F)CC4)CCC3)cc2)c1 1792123958 VPDCADBWFOJQDU-INIZCTEOSA-N 455.480 5.404 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccn5ccnc5c4)CCC3)cc2)c1 1792123960 VPOCPICHENBCDK-IBGZPJMESA-N 463.541 5.023 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4CCCCO4)CCC3)cc2)cc1C#N 1792169365 HHFYXDQJGAIGPD-XMMPIXPASA-N 475.589 5.052 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)c(F)c4)CCC3)cc2)CCC1 1792233333 FAGYWMZTYOAJGO-UHFFFAOYSA-N 459.443 5.286 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(OCc3ccccc3)cn2)CC1 1794254749 XSEIOGDYKOHGMS-OOSCYNTBSA-N 499.655 5.099 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cc(Br)ccc2c1 1797983651 VWODTCWEGAQCOO-NUNAXRQHSA-N 467.407 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1Cl 1800416554 IZPUDOKKZGVKFH-BJWYYQGGSA-N 456.936 5.603 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CC#N)cc1)c1ccc(Cl)cc1 1800539843 ZZMRMXHXLSPFHJ-NDBXHCKUSA-N 464.009 5.098 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@@H]1c1cccnc1 1802490332 AWBIZJDPPBEMDW-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1803078308 TVFRMUKMBZOUKO-SHQCIBLASA-N 484.600 5.133 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1803091896 SHXCWRVXCNJTCY-WZONZLPQSA-N 490.406 5.616 30 20 JKED CC[C@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1)c1ccccc1 1803672858 AYSXQVAREZIRRH-NMQPQYALSA-N 457.618 5.395 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1)c1ccc(Cl)cc1 1803685197 XLQWTRNXNTYHLV-LOULNAIUSA-N 478.036 5.659 30 20 JKED Cc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1804037344 YFLYDPXUPQZNOQ-LITSAYRRSA-N 489.736 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1 1804865941 DIKHZCHCXOGGNR-NFBKMPQASA-N 450.627 5.019 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC#N)cc3)CC2)C1)c1ccccc1 1805623639 SDIHRQMCPQXVNP-SANMLTNESA-N 457.618 5.037 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)CCc3ccccc3OC)C2)CC1)c1ccccc1 1805740456 GKWUZJKKCXUZLP-HHHXNRCGSA-N 486.656 5.056 30 20 JKED N#CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1806284385 QORWMSWDAUKCMF-SQJMNOBHSA-N 498.549 5.381 30 20 JKED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@H]2c2cccnc2)CC1 1806841578 KHDIHIYHBSSQLQ-LJXOIELBSA-N 491.035 5.019 30 20 JKED N#CCCC(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1806860390 JDAJGTKFMNZIHQ-WHOLLPIFSA-N 479.024 5.019 30 20 JKED CC[C@H](C)CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811244941 QFMVUJRMGVQNTF-PMEHDDBTSA-N 479.624 5.237 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1812589976 DXRJRQSAQXKLNO-GERBCZOESA-N 474.432 5.239 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1)C(F)(F)F 1812806917 IEAQYHRXGPPWLJ-FPOVZHCZSA-N 453.549 5.203 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1813052130 CEXNNHZUVCWVGS-HLADLETHSA-N 492.623 5.333 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1813864752 CNCLKRVRVLBOOH-MATUZCBOSA-N 498.627 5.541 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1814107003 BMRURLFQSGGOMB-WXVAWEFUSA-N 473.661 5.410 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)[nH]n2)C1 1814397727 WCMAZBIDNWZGMG-KKSFZXQISA-N 474.527 5.277 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)[nH]n1 1814829222 BGMNIRXUDJLXFO-DEOSSOPVSA-N 494.636 5.210 30 20 JKED C=CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccnc3-c3ccc4ccccc4c3)sc2C1 1816061413 XIVYNIOCFKEWOH-HXUWFJFHSA-N 468.582 5.160 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)c1 1817000546 UWSPMTYYJPIBII-DEOSSOPVSA-N 490.007 5.192 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccnn3C)c(Cl)s2)n[nH]1 1817773467 CEZGAVHHHBZIKE-RDTXWAMCSA-N 487.029 5.043 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccncc3C(F)(F)F)n[nH]2)c1 1818287150 AQWZUOFUYAAJCB-VFNWGFHPSA-N 496.493 5.070 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3sc(C)nc3c2)n[nH]1 1818698727 DQRSBEJJNIIPOD-OAQYLSRUSA-N 463.607 5.402 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Br)c2F)[nH]n1 1819309619 YNZSAAOKGTWIEH-HNAYVOBHSA-N 489.389 5.386 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)[nH]n1 1819384049 ATCHNNIPVCHJBP-QGZVFWFLSA-N 477.106 5.482 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCOc2ccc(F)cc2)[nH]n1 1819552693 XJHOTMBJRBYRRX-OAQYLSRUSA-N 456.562 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)[nH]n1 1819556078 RSBGQNXYCPHSOS-OAQYLSRUSA-N 483.016 5.167 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n[nH]1 1819742412 XBDVLGPWMYOGPR-YJBOKZPZSA-N 462.381 5.186 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)nc2)n[nH]1 1820033306 GSGMZBNZUQRAHL-VWLOTQADSA-N 469.589 5.546 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(F)c(Br)c2)[nH]n1 1821923408 IRFWSBSOAATHDX-FOIQADDNSA-N 491.405 5.148 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CCC3)n[nH]2)c1 1822318172 FRWJAKKLINTWJT-NBGIEHNGSA-N 481.600 5.465 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823217757 XEWMNIYPSJXQPN-WYEJZRMESA-N 487.579 5.361 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2OC)n[nH]1 1823255349 RRKJFLDCZQNAER-UZLBHIALSA-N 456.974 5.146 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n[nH]1 1823301779 WRQNEIBFZPFJTM-LJQANCHMSA-N 464.463 5.067 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cnc4ccccc4c3)CC2)c1 1824047610 VLYVGHFFSYTBRC-GDLZYMKVSA-N 494.639 5.281 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4cccc(O)c4cc3OC)sc2C1 1824163773 ROGFDSQPBSVEPB-QZTJIDSGSA-N 491.613 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc3ncccc23)CC1 1824471438 QQMOOXMGULKBNK-MHZLTWQESA-N 459.634 5.165 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)c1 1826400403 GQPCNYICRFSYIY-NDEPHWFRSA-N 465.597 5.187 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1828456879 YSPFHXCENLZAGB-MNPUUQGPSA-N 458.687 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828514544 HAGZRLZATGFYRN-RDGATRHJSA-N 451.586 5.309 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1828826834 CPWVLHPJUSEEGW-REWPJTCUSA-N 471.573 5.044 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cn2)CC1)c1ccccc1 1829033425 WYZHBDIVAUIDRO-AZGAKELHSA-N 478.036 5.166 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 1829950542 JUSBYSOAVWCARL-CLOONOSVSA-N 464.009 5.249 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c(F)c1 1830470775 QNZOYBXIJJCXNN-XMMPIXPASA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)CC2)cc1 1830537958 UNONXXIQANPRDL-QFIPXVFZSA-N 487.497 5.263 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1830769814 WNWBWPLGABBEQB-VWLOTQADSA-N 489.019 5.549 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1830770532 ATWNKRANUVZKME-GMKZXUHWSA-N 489.582 5.469 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1831447271 QQJMFQGTQZKOED-JOCHJYFZSA-N 466.544 5.058 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)cc1 1831599747 ZRPYDBUHQHIOJG-HHHXNRCGSA-N 497.643 5.034 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1831852288 ZVMKQWSLSWVBAJ-VWLOTQADSA-N 471.601 5.465 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Br)c(OC)cc3o2)CC1 1831860513 RRTZXYMFKIJMDW-LJQANCHMSA-N 489.410 5.013 30 20 JKED Cc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832701574 MNHBHGQUJZPPBI-QHCPKHFHSA-N 479.646 5.263 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1838276877 HBASDLBPKHDWJP-UODIDJSMSA-N 485.068 5.211 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CC1 1838694933 NTAWGCOEUWRZLM-HXUWFJFHSA-N 496.598 5.456 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)C1 1844675670 QKBDHHDDEQSCRI-QHCPKHFHSA-N 453.586 5.192 30 20 JKED N#CC1(C(=O)N2CCCC23CN(C(=O)c2ccccc2Oc2cccc4ccccc24)C3)CCC1 1846974047 AOHNRJYJDDOTKK-UHFFFAOYSA-N 465.553 5.143 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)cc1 9847345 YHWWKVYJQNVYQN-UHFFFAOYSA-N 484.368 5.496 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2-c2ccc(C)cc2)cc1 10136135 WRTYWOHCCPSYFZ-GOSISDBHSA-N 469.570 5.242 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc(CC)cc2)c1C 10174420 QNAJUKBRRCVSJH-UHFFFAOYSA-O 478.638 5.271 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc2c(c1)OCCO2 10179619 HPNLGBPNCFZECP-UHFFFAOYSA-O 488.416 5.665 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1cccc(Cl)c1 10830362 KTKMQTLLKHNNRI-UHFFFAOYSA-O 474.831 6.003 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2)cc1Cl 11022376 HFUIFNHPUUNVQD-INIZCTEOSA-N 489.988 5.587 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(Br)c2)cc1 11085110 WNFHCZYKJIJOBC-UHFFFAOYSA-O 496.494 6.863 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1c(C)cc(C)cc1Cl 11089505 JTYXAVXJQWAPET-UHFFFAOYSA-O 452.043 6.474 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 11089561 NZXYMXIUDREPQM-UHFFFAOYSA-O 473.996 6.526 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccc(F)cc1 11200269 CLBMXVAVKGHWGP-ZDUSSCGKSA-N 475.471 6.192 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 11248117 WKCNDGGZOQQKII-UHFFFAOYSA-O 459.488 5.460 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nc2sc(C)c(C)c2c1=O 12472516 TYQUPWIESGZFCG-UHFFFAOYSA-N 495.674 5.397 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n1 14326778 XXFJGPQRJHBCHO-GOSISDBHSA-N 493.614 5.156 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15248055 RQJHSVQKRGSDRV-UHFFFAOYSA-O 458.434 6.565 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)c1nc(-c2ccccc2)cs1 18947547 FXVSQWICISWNBB-UHFFFAOYSA-N 463.584 5.784 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc(C(C)(C)C)cc1 21127518 ZPUXONWHASIRJO-UHFFFAOYSA-N 472.561 5.761 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nc2sc3c(c2c1=O)CCC3 23405470 NKTJOGPIYMRVOF-ZBFHGGJFSA-N 471.673 5.039 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccc(F)cc1 24014777 WAQWUWULLIPEBT-MSOLQXFVSA-N 460.578 5.781 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 26790983 SKWVNQQCEVWXED-UHFFFAOYSA-N 457.331 5.485 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1 27000154 DRGFKWRJVBTQNS-QGZVFWFLSA-N 451.523 5.058 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(Cl)cc1 29829570 ZKLPSJMVMAZVKD-UHFFFAOYSA-N 454.899 5.035 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2cc(C(=O)NC3CC3)c3ccccc3n2)c1 31783389 DXUQOGRATUMXPB-IBGZPJMESA-N 472.614 5.171 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2ccc(C(C)(C)C)cc2)cc1 71793499 OXVXGOFUYPNSKS-UHFFFAOYSA-O 488.460 6.638 30 20 JKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(OCCCC#N)c3)[C@@H]2c2cccs2)cc1 71975071 KXROSZPREDHYRZ-ZEQKJWHPSA-N 473.598 5.862 30 20 JKED CC(C)c1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cnn1-c1cccc(Cl)c1 105851633 OZGQZKCVPKXNRG-UHFFFAOYSA-N 495.033 5.917 30 20 JKED C=CCn1c(SCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1F 195593717 YXHVHOHXRUXWEJ-UHFFFAOYSA-N 495.893 5.210 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Sc2ccc(Br)cn2)CC1 195604977 BFGHOTUEVMQKAY-NRFANRHFSA-N 493.430 5.018 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)s2)cc1 255950315 XOKNGJGCZFJBMW-UHFFFAOYSA-N 475.580 5.824 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)CC2)c1 303181658 DAZUCNLUGLZKPL-UHFFFAOYSA-N 467.500 5.703 30 20 JKED Cc1nc2ccccc2nc1SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 483497588 ALNOKNBCCIMWSG-UHFFFAOYSA-N 459.550 5.146 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 484968012 GYYHPEBCKFNRAG-UHFFFAOYSA-N 473.501 5.398 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 485819167 AGJOBEGNICGLCV-KSFYIVLOSA-N 499.920 6.172 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1Cl 487096520 XNVDYQDORACBSC-PXDATVDWSA-N 489.978 5.554 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4cccnc4)n3)s2)c(C(F)(F)F)c1 487478901 XOYCXVBKIYYVTE-UHFFFAOYSA-N 485.516 5.324 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 500113836 OETWPKHMXWKSKW-UHFFFAOYSA-N 487.369 5.529 30 20 JKED N#CCCN(Cc1ccco1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 502539806 KWCZTEGLCLPFBD-UHFFFAOYSA-N 479.515 5.435 30 20 JKED Cc1nc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)sc1SCC#N 504682905 AGGVQJUINIJMIG-UHFFFAOYSA-N 455.952 5.419 30 20 JKED Cc1ccccc1CN1CCC(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 511322989 NMROUYCAJQRBMC-UHFFFAOYSA-N 468.601 5.426 30 20 JKED C=CCN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512380075 VCVMRKCMFGAOCD-UHFFFAOYSA-N 458.543 5.865 30 20 JKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cc2c(cc1Br)OCCO2 512675943 VVRHFBIQSNYIJA-HNNXBMFYSA-N 463.331 5.250 30 20 JKED C[C@@H](C#N)CN(C)CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 514100246 UQKNJYCIQJWOPJ-KRWDZBQOSA-N 483.435 5.197 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(Sc4ccc(Br)cc4)cc3)CC2)c1 514508431 MAOPMCOOKJZPSR-UHFFFAOYSA-N 494.418 5.221 30 20 JKED COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515736708 QJCLGMMCJIPXQJ-AWEZNQCLSA-N 466.881 5.360 30 20 JKED C[C@@H](Nc1ccccc1OC[C@@H]1CCCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2 518014275 XKCQATQYEAOQDU-MSOLQXFVSA-N 453.608 5.276 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)c1 521258972 HALAWBDHNFWYMY-IBGZPJMESA-N 473.602 6.213 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 521389234 VJDFMNSPCVISFH-UHFFFAOYSA-N 483.515 5.580 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 521746388 HILWGBXYLURLEN-GKVSMKOHSA-N 493.654 6.197 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 521805143 WLPWXSVDWQHLQV-HOTGVXAUSA-N 464.616 5.329 30 20 JKED CC(C)Oc1ccc(CNC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 588209201 GFIVHALQBUPETE-CHWSQXEVSA-N 480.371 5.765 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1Cl 603759173 WIVSLJXHACUIKD-IBGZPJMESA-N 465.862 6.815 30 20 JKED N#C[C@H](C(=O)c1cccc(I)c1)c1nc2cc(C(F)(F)F)ccc2s1 603846207 DCRMOCYIDOPXHS-GFCCVEGCSA-N 472.229 5.410 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc12 604101793 AFSTZFBQNADJPO-UHFFFAOYSA-N 477.318 5.559 30 20 JKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)n1 609020104 JSZFITPBWUAURL-UHFFFAOYSA-N 465.513 5.410 30 20 JKED CC(C)(C)c1noc(CCCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 609062786 ZFSQNVSZVCTEPI-UHFFFAOYSA-N 452.942 5.433 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccnc3OCC(F)(F)F)cc2Cl)c1 609080139 QIYKUPPORSIHOF-UHFFFAOYSA-N 490.869 5.448 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)ccc3Br)cc2F)c1 609105244 WFWGCIXNWGJGMO-UHFFFAOYSA-N 459.702 5.945 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 609141564 AZLRLQJWXRQKLP-UHFFFAOYSA-N 464.525 5.207 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 609428723 XTPWNYGHRXPINV-HNNXBMFYSA-N 471.376 6.268 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1Cc1ccccn1 613346291 GLUOJMNQFINIFV-HXUWFJFHSA-N 481.408 6.469 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1C 613425520 APBDQIGQMZSHGD-HNNXBMFYSA-N 477.417 5.778 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 614072938 JWQJAINFXKUUJG-AREMUKBSSA-N 489.044 5.706 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc(F)c(F)c(F)c1F 617959182 DNGFIGALSIDHAW-UHFFFAOYSA-N 465.243 5.378 30 20 JKED O=C(Nc1ccccc1Oc1cccc(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618542368 GDPFLBLXNGTSJD-STQMWFEESA-N 450.354 6.213 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccn(-c2cccc(F)c2)n1 623235687 JPPSBXNFLZNJFI-UHFFFAOYSA-N 455.946 5.314 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccc(OC)cc1 639429276 IAPXVBOENVYGHF-QFIPXVFZSA-N 450.608 5.512 30 20 JKED O=C(Nc1ccc(OC(F)F)c(Cl)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642411170 FLZGAHXWTWVFPH-YUMQZZPRSA-N 454.745 5.972 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cn1 726113326 RIDNAKCZISNXFT-VWNXMTODSA-N 491.592 5.154 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 726321002 BANJYDUGNJNBHK-BEBLGJCVSA-N 451.611 5.103 30 20 JKED COC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccccc1 726321913 CAYSNPQGOMZLFF-PBHICJAKSA-N 498.033 5.384 30 20 JKED COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1NC(C)=O 726429450 UHBBLPPJDCENRN-GXDHUFHOSA-N 482.496 5.311 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccccn2)cc1Cl 726892354 UAGOJTOWRRRRSG-NRFANRHFSA-N 498.967 5.043 30 20 JKED N#Cc1c(NC(=O)COC(=O)c2csc(-c3ccccc3Cl)n2)sc2c1CCCCC2 727563133 KFBUFXWUFXMRSJ-UHFFFAOYSA-N 471.991 5.461 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(SC(F)F)cc3)cc2F)c1 728200434 FIINSACXPXPCNH-UHFFFAOYSA-N 457.477 5.642 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 728248727 XOSMOZRXXHZDIK-UHFFFAOYSA-N 472.588 5.907 30 20 JKED COc1ccc(N2C/C(=C/c3cccnc3Cl)C(=O)/C(=C/c3cccnc3Cl)C2)cc1 728696853 GQAHRFDSDKMAGP-MGYAYREDSA-N 452.341 5.348 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C2/CN(CC3CC3)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697659 VCEJKZPOZRCOFR-FIFAAUDNSA-N 467.569 5.030 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1 728778186 QZITVNHQOVYVMF-OAQYLSRUSA-N 469.010 5.611 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCCCC#N)C2=O)cc1Cl 728778189 RCXDQCGXWJKSAC-OAQYLSRUSA-N 469.010 5.611 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 729552835 MRITYNIMKKWGQH-RUZDIDTESA-N 453.546 5.160 30 20 JKED CC(C)c1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c2cnn(C(C)C)c2n1 729594204 LCPGCUJARAVBKO-INIZCTEOSA-N 493.633 5.522 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(C3CCC3)C2=O)cc1 730462097 WFPWUAHTTGFOGB-HXUWFJFHSA-N 455.967 5.055 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 730583416 GNQUDJSGWYIWMM-UHFFFAOYSA-N 496.832 6.112 30 20 JKED N#C[C@@H](C(=O)CCc1cc(Br)cs1)C(=O)Nc1ccccc1Oc1ccccc1 730686884 KBRNOGFQYVNEAH-SFHVURJKSA-N 469.360 5.583 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730942383 OCDGXAXMHNXIQM-JTSKRJEESA-N 479.005 5.765 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944977 JQAAOJBQFXKRBZ-AOMKIAJQSA-N 480.540 5.390 30 20 JKED CCn1c(SCc2ccc(OCC#N)cc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 731158171 UXSSUYUDGBVHRI-UHFFFAOYSA-N 465.575 5.787 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](CC)Oc2ccccc2C(C)C)nc1C 731225225 SOUPBHOBHIPBPC-MRXNPFEDSA-N 457.625 5.104 30 20 JKED N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 731287454 CCWWNEQPSAWRTO-MRXNPFEDSA-N 484.177 5.653 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 731331547 IUXOHQATLKUNAB-NTEUORMPSA-N 451.526 5.241 30 20 JKED Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3S[C@@H](C)CC#N)c3ccccc3C2=O)cc1 731338720 GSGFLEBKKJOSGR-SNAUHIFDSA-N 453.567 6.029 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 743303892 FDBPQSDMKRGYSM-XMMPIXPASA-N 490.604 5.994 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc3cccnc23)cc1 744997799 VFLPFKYTPJHTIL-DEOSSOPVSA-N 498.583 5.843 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1F 746695096 CANFCSYVUZIJHA-HSZRJFAPSA-N 472.545 5.468 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 746696336 MKVQDQDROORZEM-HXUWFJFHSA-N 495.979 5.395 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCOC1CCCC1 747044720 WRGGAUNJGDDSAM-HSZRJFAPSA-N 499.608 5.144 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2cccs2)C1=O 837286208 UOBMJJIYMURTAQ-NRFANRHFSA-N 479.627 5.534 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2ccc(F)cc2)s1 839415213 AOUYKPQGNHBTPB-UHFFFAOYSA-N 454.552 5.294 30 20 JKED O=C(COC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(F)ccc1F 843414510 HAQUYOFXZBTGDT-RJRFIUFISA-N 453.285 5.198 30 20 JKED CC1(c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 856571782 HVXZIABRLUSMDE-IBGZPJMESA-N 482.028 5.049 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)c2cccc(OC)c2)ccc1Cl 914528764 DRXRIEIHBZRTDR-UHFFFAOYSA-N 485.005 5.397 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CCSc2ccc(C)cc2)C1=O 914537815 GCKWQXIJCWQRTD-GOSISDBHSA-N 495.642 5.170 30 20 JKED C=CCN(CC(=O)Nc1cccc(Cl)c1Cl)CC(=O)Nc1cccc(Cl)c1Cl 914866976 CMEGZHOUJAGOEW-UHFFFAOYSA-N 461.176 5.365 30 20 JKED Cc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1 915087227 QUOZMIARDGINIB-RUZDIDTESA-N 473.598 5.077 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC2CCC2)c1 915111906 RYDSXGHKBOBXJB-QHCPKHFHSA-N 478.618 5.022 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(CN2CCCCC2=O)cc1 915151149 SJWWTJYCIDOUSX-UHFFFAOYSA-N 455.533 5.365 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)cc1 915200338 ZFYRTVZCVBWGEO-VWLOTQADSA-N 452.558 5.093 30 20 JKED CC(C)(C)c1ccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2C2CCCC2)cc1 915795652 FVQWXLAGEOGVCF-UHFFFAOYSA-N 474.678 6.262 30 20 JKED COc1ccc(N2C(=S)N[C@H](c3ccc(C#N)cc3)C(C(=O)Nc3cccc(Cl)c3)=C2C)cc1 916168999 WLEQJMPGBUIHMR-XMMPIXPASA-N 489.000 5.569 30 20 JKED CCN(CC)c1ccc(CN(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 916692040 UQHFHIVVROFUQI-UHFFFAOYSA-N 466.636 5.212 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(Cc2ccc(F)cc2)nc1C 916900983 VUNGMAPLFISJMD-INIZCTEOSA-N 471.941 5.113 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)s2)cc1 916901397 HEFDMBPEPJTJFE-INIZCTEOSA-N 469.950 5.059 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)[C@H]1c1ccc(OC)cc1 917039744 CPBRTXUUZNEQCN-DCLXLUIPSA-N 494.542 5.396 30 20 JKED CCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OCC 917047203 TXZIJLLNVBMRLA-MRXNPFEDSA-N 456.951 5.586 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc(Br)c1OC(F)F 917143065 GUTJPHMIGHRDST-RUDMXATFSA-N 466.278 5.082 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OCC)cc1 917684971 PUYAGFHYYAZRBD-NRFANRHFSA-N 490.025 5.044 30 20 JKED CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 918430420 ZINVSEMHFIUANG-DEOSSOPVSA-N 474.992 5.097 30 20 JKED C=CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 918551542 FGUGSTNGMVMVKZ-UHFFFAOYSA-N 494.573 5.827 30 20 JKED Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCC#N)c2)cc1 918596574 QRTPWUURVHJPIS-UHFFFAOYSA-N 477.586 5.248 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc2cc(Cl)ccc2s1 920112847 LPRZOZWAJYASQZ-NSHDSACASA-N 450.397 6.207 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)n2)cc1 920141333 DXHLMACCKGLIQQ-GOSISDBHSA-N 465.481 5.561 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)c(Cl)cc3Cl)n2)cc1 920141563 FHTGUGHWWOKJTK-ZDUSSCGKSA-N 467.761 6.034 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OCC(F)(F)F)cc1 920321446 KESBMAWEEPHJAG-GAJHUEQPSA-N 481.474 5.099 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3c(C)noc3C)C2=O)c1 920355103 KGPBZVGZTZBXDF-HSZRJFAPSA-N 492.601 5.077 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc(C)on2)C1=O 920356315 SBPLSXPFXSEBPQ-QFIPXVFZSA-N 496.564 5.071 30 20 JKED CCCCOc1ccc(C=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1OC 920399536 UWOOUMPLVXHEME-UHFFFAOYSA-N 450.322 5.782 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)cc1 1786035372 FVPYUSWJKKMQMM-FQEVSTJZSA-N 467.569 5.047 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CNc4ccccc4O3)CCC2)cc1 1786102998 HILFPWLFRZOFFX-HSZRJFAPSA-N 459.590 5.152 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4ccccc4)cc3)CCC2)c1 1788737844 BLRFENKIXJBODB-UHFFFAOYSA-N 461.525 5.010 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccn4ccnc4c3)CCC2)cc1 1789508017 BFKWCCYQHBKWBX-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789934528 DOIQVFUCCPWGCF-UHFFFAOYSA-N 483.568 5.006 30 20 JKED COc1cc(OC)c(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)cc(C#N)c4)CCC3)cc2)c1 1790061977 RVZKXUYWFXBVFA-UHFFFAOYSA-N 487.531 5.085 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4OCCO5)CCC3)cc2)c1Cl 1790083869 OGFDXCLVUSNJMR-UHFFFAOYSA-N 487.943 5.044 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4F)CCC3)cc2)c1 1790258354 JUQVAYLHBVBXTD-UHFFFAOYSA-N 452.489 5.240 30 20 JKED COc1cc(Cl)ccc1CC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790258690 JONUODBZENVKSA-UHFFFAOYSA-N 473.960 5.211 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)[nH]n4)CCC3)cc2)ccc1F 1790520852 IFUUVHFBULISHP-UHFFFAOYSA-N 493.542 5.078 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C(F)(F)F)c3)cc2)CCC1 1790658022 WEDFVJCFDQJQLR-UHFFFAOYSA-N 480.284 5.129 30 20 JKED Cc1ncoc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)cc2)CCC1 1790690602 ZVOUQXOSLNCNQV-UHFFFAOYSA-N 475.548 5.444 30 20 JKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)c1O 1790768656 SDJJRZLTYJLMSZ-UHFFFAOYSA-N 483.568 5.043 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4CC[C@H](C)CC4)cc3)CCC2)c(C#N)c1 1791970054 LANSQMHVTHVGGK-MXVIHJGJSA-N 459.590 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncoc5c4)CCC3)cc2)c1 1792123880 SMULYHFZONCESK-GOSISDBHSA-N 464.525 5.516 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)oc2ccccc12 1797417709 KJGPAZSRDOZHIW-WKCHPHFGSA-N 450.655 5.044 30 20 JKED Cc1nc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)C4)ccc2s1 1797561966 MDKPFUOEYULUOY-ACDBMABISA-N 498.530 5.061 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccncc1-c1ccccc1)C2)c1ccccc1 1798556231 XEYCAPCAQSEFTI-HVWQDESWSA-N 477.608 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(Br)cc2c1 1800931004 WPSMSIHJAACTEU-WKCHPHFGSA-N 484.438 5.242 30 20 JKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Oc3ccc(C(F)(F)F)cc3Cl)c1)C2 1802316722 XMRFGWVUBLJHHX-REPLKXPHSA-N 492.925 5.979 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1802503711 SGYXKPZUAXMFDO-NOZRDPDXSA-N 489.660 5.497 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2CCCC3)[C@H]1c1cccnc1 1803091388 GFFJIAQNJOWZLE-SQHAQQRYSA-N 457.618 5.048 30 20 JKED CC(C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1803218614 SJADBEFABQGDRS-BKHJTQGXSA-N 494.639 5.032 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4ccc(Cl)cc4[nH]2)C3)c1 1803676014 LDXYWLNFTPYQEE-ZHHJKBAOSA-N 460.965 5.014 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(C)(C)Oc2ccc4ccccc4c2)C3)c1 1803681485 QSGWJXBKYRDBIS-MPPVSAIVSA-N 495.623 5.576 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)c(C#N)c1 1803841084 SUGULOJVVNAZDA-KOUNCHBCSA-N 477.605 5.110 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1806449485 DMAZAGBASBZNGF-GVQBMFDGSA-N 480.612 5.103 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3ccc(Cl)cc3)C2)CC1 1806715505 OIDPYKQOXSDROT-UHFFFAOYSA-N 475.073 5.723 30 20 JKED N#CC1(C(=O)NC[C@H]2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@H]2c2cccnc2)CC1 1806841583 KHDIHIYHBSSQLQ-PYMKTYCGSA-N 491.035 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)C3)[C@@H]1c1cccnc1 1808152864 GHCXTXIGIQDLIT-UPVQGACJSA-N 475.633 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1809211757 SOWUDKIDOYTACV-YPCDYVTLSA-N 489.019 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@H]1c1cccnc1 1809625259 MFNOEOMIYYPTBF-BKCLZSIZSA-N 465.682 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1810177957 JPPIDVYQYIRQME-KNQBKSORSA-N 477.571 5.225 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1810180875 ACNSXHKONCLMQV-DGWZTRNLSA-N 453.671 5.852 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(Cl)s2)[C@@H]1c1cccnc1 1810492899 RHSRKYQNRXAACQ-PGRDOPGGSA-N 460.043 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1811106304 ZFMPGHQCAZVKSA-SQGPQFPESA-N 478.445 5.538 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3c(Cl)cccc3Cl)[C@H]2c2cccnc2)cc1 1811716234 OVXZYMWBNWWVGM-GBXCKJPGSA-N 493.394 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[C@@H]1c1cccnc1 1812428575 OSRZSUYCRCVDHC-VJTSUQJLSA-N 497.083 5.036 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1812588054 ZEHRFSKGHUDOTM-UXSWERMXSA-N 464.997 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1812830877 NEAZNDCFLBFODZ-AHKZPQOWSA-N 461.650 5.446 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)[nH]n1 1815207686 HPNSGLUEJRKXRI-LJQANCHMSA-N 479.408 5.314 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1815241740 JFSXNUXDJZPAKQ-JTFJPCCOSA-N 480.556 5.088 30 20 JKED Cc1cscc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1818242680 VIQNSSUGSKGXQC-IBGZPJMESA-N 498.406 5.034 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)[nH]n1 1819385250 NUTXXBUUVAHKHP-GOSISDBHSA-N 493.606 5.114 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)[nH]n1)c1ccccc1 1819519685 XHRUJGAYZXICFQ-AOYPEHQESA-N 483.616 5.179 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)[nH]n1 1819555960 MJIKGUFLOHAQOY-NOZRDPDXSA-N 479.669 5.477 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1)C(F)(F)F 1819965747 HYQTUSHCKXYWHD-LLVKDONJSA-N 467.300 5.202 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091494 JIVQGDAXOALMAX-LAUBAEHRSA-N 471.561 5.669 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3c[nH]c4ccccc34)n[nH]2)c1 1820736572 QOBBVEBTTJIXGJ-BVZFJXPGSA-N 480.572 5.067 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821611815 RRYBHGHPYKVFGH-GGAORHGYSA-N 486.572 5.188 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1822392589 VTJBKLGNCWNASN-OAQYLSRUSA-N 471.586 5.282 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1822729423 HDWAPWYMXJBIBQ-CTNGQTDRSA-N 497.741 5.029 30 20 JKED C[C@H](Cc1ccco1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1822846549 DWJRXPGOUIAXQR-QVKFZJNVSA-N 499.493 5.078 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cccc2OC)n[nH]1 1823251947 RSWTZQQPUKFPRK-QFBILLFUSA-N 456.974 5.146 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1823255769 CZWQQPWGTWXANR-ZHRRBRCNSA-N 491.979 5.318 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 1824138239 WWEGSFUKJIMCCI-NRFANRHFSA-N 464.437 5.390 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1824501150 SAOGEGAKTOKOKA-RUZDIDTESA-N 487.084 5.364 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1824511729 PVGITGBUTIUUQM-JPYJTQIMSA-N 481.464 5.137 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1824537110 BWTDWUQJXARQHD-VXKWHMMOSA-N 462.059 5.009 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)c1 1826399877 FVPOXOJTVOGHMK-JHOBJCJYSA-N 493.651 5.943 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3occc3n1-c1ccccc1)CC2 1826424889 FZRADSIUAGFAJP-GOSISDBHSA-N 486.597 5.099 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1826515383 FVTBYICDIJHKEX-AMGIVPHBSA-N 457.618 5.098 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccsc2)CC1)c1ccc(O)cc1 1827104851 HWXJLXYQMZYLET-VPUSJEBWSA-N 492.685 5.203 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)cc2c1 1828122493 DQKSGCROPSSROR-HHHXNRCGSA-N 491.752 5.761 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828508250 SEDJPBBPCNENHA-VWLOTQADSA-N 495.461 5.639 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828828000 BFWHWTFXXMXCAE-ZEQKJWHPSA-N 463.622 5.178 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2F)CC1 1828906860 MFTVIYZOTMNGDP-QHCPKHFHSA-N 474.668 5.249 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828996746 SILDAWONBHWIFF-QRGYCXFASA-N 498.627 5.002 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(F)(F)F)CC1)c1ccccc1 1829033280 TZSPPMYNJXRPCO-XZOQPEGZSA-N 462.556 5.146 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576472 BXZVQZFFEXOAED-QHCPKHFHSA-N 493.698 5.602 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)c1 1829675835 KRSGPEBEKWGBGR-NIYFSFCBSA-N 494.035 5.257 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1830015643 LTKCQRTVVZLSFR-XMMPIXPASA-N 474.992 5.240 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3C)CC2)c(C#N)c1 1830285017 JDHMBXDHEGDFCY-SANMLTNESA-N 494.035 5.005 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830409287 IEEJTEXOHGADOB-VFUOJUBFSA-N 485.575 5.021 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)cc1 1830570137 XALDXONGMYYXGW-XMMPIXPASA-N 481.999 5.217 30 20 JKED COc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C)cc(C#N)c4)CC3)cc2c1 1830769373 MNWIVSGUDCZGND-RUZDIDTESA-N 485.584 5.169 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1830792496 FSMBLWHABLSAJC-URXFXBBRSA-N 473.608 5.033 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1830794925 JJFCGQZDNSDCPT-JOCHJYFZSA-N 493.570 5.191 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(Br)cc2C)CC1)C(F)(F)F 1831452961 GUQXUCOZBMVCQM-HNNXBMFYSA-N 493.389 5.171 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 1831562374 OBJCQFNEXNDBQO-GDKKVTFASA-N 463.666 5.592 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1831859691 VTRZXEMSTOCGPU-XNMGPUDCSA-N 466.572 5.694 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1832629266 MKMADSMSGXXLDJ-DFBJGRDBSA-N 477.580 5.008 30 20 JKED CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832633072 BUFWHCRFKNYOEN-IDISGSTGSA-N 457.618 5.423 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635920 YQLSIKMDXPGZDK-NTKDMRAZSA-N 494.035 5.523 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832635931 ZBHQZEGINCQRNZ-BCHFMIIMSA-N 494.035 5.523 30 20 JKED CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1)c1ccccc1 1837632275 AKRRUZQRABRQQR-SKCUWOTOSA-N 487.644 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)CC1 1838373481 QLJSBEVRCXMUKZ-HHHXNRCGSA-N 466.666 5.266 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(Cl)c(F)c4)CC3)CC2)c1 1838660905 SHIVVBWWBOPHTA-SFHVURJKSA-N 497.998 5.032 30 20 JKED CC#C[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)CCCCC)CC2)CC1)c1ccc(O)cc1 1838758025 IZTNYFSSIMZPEH-ZCYQVOJMSA-N 496.692 5.104 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173164 YOSWFBOHGUINBG-UHFFFAOYSA-O 495.624 5.695 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C)c2)c1 16028784 PJFWVFQUHDJRIV-UHFFFAOYSA-N 470.978 5.291 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(NCc3ccccc3)n2)n(C2CCCCC2)c1C 16670006 BFUNPGWTBZLVCE-UHFFFAOYSA-N 491.617 5.346 30 20 JKED C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 17724513 NOVVSAMNNYWGLD-HXUWFJFHSA-N 479.652 5.485 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(Br)c3)no2)nnc1-c1ccc(OC)cc1 18974955 GGUAXNSEIKBMPM-UHFFFAOYSA-N 484.379 5.245 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nnc1-c1ccc(C(C)(C)C)cc1 21284794 MDLVMEHWOURWMB-UHFFFAOYSA-N 464.639 5.471 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nnc1-c1ccc(F)cc1 23635396 BPMFGDNRWGCKQC-UHFFFAOYSA-N 468.579 5.703 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 26112021 CQWVVPCIKGLMTD-OAHLLOKOSA-N 484.408 6.087 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 27781511 LWCKBPURIZBLLP-GFCCVEGCSA-N 471.991 5.378 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1 28298363 WMNQRDJWASSPKZ-SFTDATJTSA-N 495.718 5.571 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Cl 107877140 UACHMNZTUUJTBY-XMMPIXPASA-N 477.951 6.102 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 108953664 KVZXKWGTNMHJOT-UHFFFAOYSA-N 483.524 5.450 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)nnc1-c1ccccc1F 215611483 PFNXVXCLJAKVBM-UHFFFAOYSA-N 495.630 5.897 30 20 JKED COc1cc([C@@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OCCC(C)C 409523338 SZAWHDQSBRTJQQ-HXUWFJFHSA-N 492.620 5.113 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 410303849 OVUHUJWQUPHMDL-QGZVFWFLSA-N 453.995 6.113 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccco2)nnc1-c1ccc(Cl)cc1Cl 499410287 ZSUYIFRTNMXVML-ZDUSSCGKSA-N 451.379 5.343 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3occc3COc3cccc(C#N)c3)s2)cc1 502574604 KGIGGLUDEFGUCY-KRWDZBQOSA-N 457.555 5.962 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1nc2ccccc2[nH]1 502705588 JANZIBGVMUGXHT-QFIPXVFZSA-N 468.520 5.513 30 20 JKED Cc1ccc(Oc2ccccc2NC(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cc1 502826752 LFYCSHVRBPZEBO-UHFFFAOYSA-N 488.341 5.375 30 20 JKED N#Cc1ccc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)cc1Cl 503087458 RVZPLAQCJOBVNN-UHFFFAOYSA-N 460.630 5.370 30 20 JKED N#Cc1cc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)ccc1OCC(F)(F)F 508393764 WOYPFLFYMCACFN-UHFFFAOYSA-N 493.441 5.679 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc(OCc2ccccc2C#N)c1 509047593 KCTSLDODSZLVQG-UHFFFAOYSA-N 450.542 5.232 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510588013 ARIOORIEDVODEK-GOSISDBHSA-N 456.546 5.965 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 510593512 VEKAVGZJPQEBRK-UHFFFAOYSA-N 482.584 5.404 30 20 JKED N#CCCCOc1cccc(NCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1 511112078 SFTRUXRLVCSMOO-HSZRJFAPSA-N 462.937 5.405 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nnn(-c4cccc(Br)c4)c3C)n2)cc1 516074201 LXOBRCBRDNSOAO-SFHVURJKSA-N 478.375 5.260 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 516767811 GGRXOIVXJNCARR-QGZVFWFLSA-N 462.531 5.457 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccccc4Br)o3)n2)cc1 517547672 HIXPSAUFPBRQRZ-UHFFFAOYSA-N 479.359 5.671 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517820831 MGVYQTMYGGQZEW-QHCPKHFHSA-N 458.924 6.189 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)cc2Cl)cc1 518668177 VBOXQQXGINTFLI-NBGIEHNGSA-N 489.959 5.227 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccc(Br)cc1 518873046 MBXRFFMNVJCBPS-HNNXBMFYSA-N 499.340 5.835 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519992602 ZAYVCDFNVLKLEJ-UHFFFAOYSA-N 492.329 5.401 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cc2)cc1 520003987 IKOVJVLHOBJYKD-UHFFFAOYSA-N 487.943 5.064 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-] 520465081 KPFGDSAQHNXLMP-UHFFFAOYSA-N 479.496 5.204 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)cc2)cc1 520562877 SKDXWTSCESDHGS-IBGZPJMESA-N 491.494 5.443 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 520827572 NNJMZHCMVHRTIG-IBGZPJMESA-N 493.592 6.244 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(Br)c3c(c2)OCO3)cc1 521280881 IZDKJCBXSCMOPC-UHFFFAOYSA-N 494.345 5.145 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521316736 DLPTUIVCXXZYDJ-UHFFFAOYSA-N 456.527 5.895 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 521613854 QZPLRJWMZGZHOQ-UQBPGWFLSA-N 460.961 5.923 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1 522571593 DNDAGJUHBNOBRF-UHFFFAOYSA-N 462.399 5.400 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)[C@@H](C#N)c4ccc(C(F)(F)F)cn4)c3)cn2c1 525190296 ASBGUDLHPDJXBJ-FQEVSTJZSA-N 450.420 5.126 30 20 JKED CCCN(CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)Cc1ccc(C#N)cc1 549642760 QVZPDEUDVFFLNX-QFIPXVFZSA-N 468.601 5.242 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1ccc2ncccc2c1 596533614 USSHTNINKNLNOW-MRXNPFEDSA-N 478.459 5.243 30 20 JKED Cc1nc(C(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)ccc1C#N 603564868 HQGRLGAFARTKIU-UHFFFAOYSA-N 455.949 5.099 30 20 JKED CCNc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1[N+](=O)[O-] 603758650 YNFUCAWXAMBCLA-UHFFFAOYSA-N 475.452 5.217 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCc3ccc(C(F)(F)F)cc3)s2)cc1 603829446 XQZFLQFLHXVOPC-UHFFFAOYSA-N 463.510 5.085 30 20 JKED CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)cc1 604494398 PDRPFRKBFCTWKB-UHFFFAOYSA-N 461.587 5.031 30 20 JKED Cc1cc(NC(=O)c2sc3ccccc3c2CSc2ccccc2Cl)n(CCC#N)n1 608806769 NQCYFBJXYQITHX-UHFFFAOYSA-N 467.019 6.518 30 20 JKED Cc1csc(Sc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)c(C)c2)n1 608847832 HOMZWQJYZXXQQO-UHFFFAOYSA-N 461.568 6.207 30 20 JKED CC[C@H](c1ccccc1)c1nnc(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)o1 609018730 NZENRAPDQOGBDK-LJQANCHMSA-N 454.983 5.612 30 20 JKED Cc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cccc1C(=O)Nc1ccccc1 609060328 ZDYXHCTWJVAVBB-UHFFFAOYSA-N 451.482 5.543 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc(F)c(Br)c1 609060710 KXTJFXKDGILKQC-UHFFFAOYSA-N 453.311 5.529 30 20 JKED N#C[C@@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(OCc2ccccc2)cc1 609171813 CWBRWWQPEJCKOC-OAQYLSRUSA-N 464.447 5.015 30 20 JKED CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H](C)Cc1ccc(OC)cc1 609433917 KNDDUXBQYLKWPU-LJQANCHMSA-N 456.546 5.304 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 611872041 SBGUZYZCJCBSHU-QHCPKHFHSA-N 468.944 5.619 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1OC 617996436 ROGMQFJAHFNBTO-IRXDYDNUSA-N 462.575 5.244 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nnn(-c2ccccc2F)c1C(F)(F)F 624854650 GUYWNKUVWXBCKF-RKDXNWHRSA-N 492.317 5.065 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc(F)c(Cl)c2)cn1 726113937 UDTHWBCLDZYTBK-NRFANRHFSA-N 499.999 5.164 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@@H](C)c1ccc(Cl)cc1Cl 726400013 YIQMNUMBNSTGMV-LUYYNQSOSA-N 498.407 5.169 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 726414308 ZNNJHJBUGOTPDQ-NBGIEHNGSA-N 482.609 5.401 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccsc1)c1cccs1 726414500 BDUWADAGYUIZMU-ACDYFQRRSA-N 469.657 5.077 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1)c1cccs1 726422375 WMVSPRWIPYDSCL-DIUXXVEUSA-N 467.591 5.477 30 20 JKED COc1cc(/C=C/C(=O)c2cn(C)c3ccccc23)ccc1OCC(=O)Nc1ccccc1Cl 726741126 UHSRBFUFZBHQIR-ACCUITESSA-N 474.944 5.754 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 727591366 XEVHDNQXZNLWCZ-ZAROTGLESA-N 482.650 5.081 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2nccn2CC(F)(F)F)C(=O)c2ccccc2)c(Cl)c1 728699202 ROECABDDGLATQX-SFQUDFHCSA-N 461.871 5.621 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730460250 VVHTUXBKZOIMPJ-IBGZPJMESA-N 475.536 5.835 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)(F)F)cc3)N(C3CCC3)C2=O)c1 730461379 NJCMMYJRWHBHBI-LJQANCHMSA-N 493.507 5.107 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(C2CC2)C1=O 730538158 ZHCYBFDCUVXPEW-NRFANRHFSA-N 455.555 5.046 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)O[C@@H](C)C2 730687915 QJUQSOZIEMDRDU-INDWIESVSA-N 496.563 5.652 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 730688156 SHPXXZXKIOWRAD-FUHWJXTLSA-N 470.641 5.351 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)cc1C 730710490 MNCGYAHEIHQFDK-NRFANRHFSA-N 482.993 5.414 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O 730719444 FFOKPKPUSPQJKK-NRFANRHFSA-N 498.992 5.277 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cocn2)C1=O)Nc1ccccc1F 730724929 PQMYZZXAQNOVRA-JOCHJYFZSA-N 474.517 5.127 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943583 GRIACGYYSJSGMO-GBXCKJPGSA-N 472.614 5.728 30 20 JKED C#CCOc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c1 730977468 BDHOTZONGIUBSU-UHFFFAOYSA-N 470.785 5.141 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1=S 731027824 PZMOQIPYXYMFSH-DEOSSOPVSA-N 464.683 5.294 30 20 JKED Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 731066881 HWDUOPMFYXGHHD-IBGZPJMESA-N 487.581 5.437 30 20 JKED Cc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c3c2CCCC3)cc1 731085933 VHLUXFSKHDVRPP-IBGZPJMESA-N 488.613 5.249 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)cc1 731305200 JFFCHIUHSVGYCS-HXOBKFHXSA-N 474.586 5.071 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2cccs2)cc1 731305333 JRQWUGAJDJWZJM-JOCHJYFZSA-N 495.626 5.055 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2)s1 731305785 PGZHSSHLWOZCIN-FQEVSTJZSA-N 486.018 5.576 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)s1 731311809 FKCPIXQGNBRIGJ-KSFYIVLOSA-N 490.610 5.355 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(Br)c1 732780810 VGKSEZFYVJYBER-IBGZPJMESA-N 488.407 5.022 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746658084 AXXULBIYCTUDGK-JOCHJYFZSA-N 466.354 6.298 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCOC(C)(C)C 746696805 VJKPOCCOIDTLPX-HXUWFJFHSA-N 471.598 5.218 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nc2cc(Cl)ccc2c1=O 777512571 NYOXYUCPXLFHGB-KRWDZBQOSA-N 483.037 5.346 30 20 JKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 779180794 ACGAYEVBWQILGY-HNNXBMFYSA-N 495.944 5.596 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(C)c1 799213371 RAFCQOOHHBEFIW-SFHVURJKSA-N 460.386 5.204 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC(F)(F)F)c1 799214688 IAAKFLLIKPSQHA-KRWDZBQOSA-N 485.915 5.180 30 20 JKED COc1ccc(Nc2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1 807924895 YUCICTUCOWMHLJ-QGZVFWFLSA-N 479.612 5.382 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1OCC#N 814297331 NVFMSKVUFRYQLC-IDUWFGFVSA-N 451.356 5.310 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 838310094 BRTTZOCYHVWUMZ-CPJSRVTESA-N 486.641 5.982 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CC(C)C)C1=O 838521275 JCFYHQZGZJTUJJ-JOCHJYFZSA-N 469.607 5.100 30 20 JKED C=CCN(C(=O)COC(=O)c1cccc(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 905931744 LXFLIPVLGCYQRS-UHFFFAOYSA-N 462.358 5.196 30 20 JKED CCOc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCC(=O)N1CCCCC1 915088729 WQONVFWAUQEIMQ-AREMUKBSSA-N 497.595 5.384 30 20 JKED CCOc1cc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)ccc1O[C@H](C)C(=O)N(C)C 916130111 IDOLFLKOVQLRIJ-RZIFZGNASA-N 486.362 5.346 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccco3)C2=O)c1 916207193 CGCRSHYVSVCVSU-QHCPKHFHSA-N 493.585 5.074 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 916559414 UHZJYKLUWBQOTG-UHFFFAOYSA-N 494.960 5.208 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)c1ccc2ccccc2n1 916849407 QGXXIYSQQZUMDB-PXDATVDWSA-N 457.327 5.994 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916887105 MFPPNIRFQVPGDS-YADHBBJMSA-N 492.503 5.417 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Br)cc3Cl)n2)cc1 916971686 DWFKKJUYGVHOQA-OAHLLOKOSA-N 461.768 5.790 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c(COc4ccccc4)nc4ccccc43)n2)cc1 916972376 NPYDTGVJXWFXNN-QFIPXVFZSA-N 478.577 5.924 30 20 JKED COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 917042369 FBIHYFOVJDUVSW-ONNFQVAWSA-N 492.503 5.054 30 20 JKED CSc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)cc1 917043237 JBAXKDOULVYDBG-MLGOLLRUSA-N 475.517 5.266 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)[C@H](C#N)c4nc5cc(Cl)ccc5s4)nc(O)c23)C1 917045967 DSOJXXQUZVFBOQ-RISCZKNCSA-N 483.018 5.594 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCNC(=O)OCc1ccccc1 917653855 PIAQSNJTHFHVKA-UHFFFAOYSA-N 459.521 5.246 30 20 JKED CCCCCCCCCN(C)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 918540984 DAKAWIXCCJNENQ-UHFFFAOYSA-N 450.649 5.152 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2[nH]c3ccc(F)cc3c2Cl)n(Cc2ccccc2)c1C 919426106 RWYFLUYRMUDUAG-UHFFFAOYSA-N 478.911 5.094 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4nc5ccccc5o4)CC3)n2)cc1 920139511 UBKGIJBPMAYEOI-IBGZPJMESA-N 458.543 5.053 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2nc(C)cc(C)n2)ccc1Cl 920964217 KOCITDGDFZVKSP-UHFFFAOYSA-N 491.400 5.034 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1oc2ccccc2c1CSc1ccccc1F 921215977 HDFLFAJMYGBCBR-DEOSSOPVSA-N 454.523 5.075 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)COCc3ccc(OC)cc3)CCC2)cc1 1786104282 JSOVTZXNPVJFRQ-UHFFFAOYSA-N 462.590 5.114 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1 1786749146 IINHUAOVZZAQFT-VTJDKEBTSA-N 493.604 5.286 30 20 JKED Cc1noc(-c2ccc(Br)cc2)c1C(=O)NC1(c2ccc(NC(=O)CC#N)cc2)CCC1 1787646024 AUDZKCUACRJMTF-UHFFFAOYSA-N 493.361 5.074 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCC(F)(F)F)cc2)CCC1)NC(=O)OC(C)(C)C 1787872534 OFQOILKMXLVOCR-IBGZPJMESA-N 497.558 5.323 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CC[C@@H]4CNc5ccccc5C4)cc3)CCC2)cc1 1788068065 SFNMNCAMSXYZSR-QFIPXVFZSA-N 478.596 5.371 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3C)cc2)CCC1 1788361021 VVEDXIOFTBPZPA-OAQYLSRUSA-N 484.600 5.606 30 20 JKED O=C(/C=C/c1cc2ccccc2o1)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1789116337 NCRCKHOUQOZUFR-VPXPGVMISA-N 467.525 5.292 30 20 JKED Cc1c(Br)ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)c1F 1790144958 ZYKDLQOQIJCERO-UHFFFAOYSA-N 495.352 5.158 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5scnc5c4)CCC3)cc2)cc1 1790290234 NAUKYDZNTOFMET-UHFFFAOYSA-N 452.539 5.229 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4c(Cl)cccc4c3C)CCC2)cc1 1790509231 RLQOTZNTNRKLEJ-UHFFFAOYSA-N 493.991 5.387 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1 1790519973 QFEYZHLETMKABI-PZVJUEDKSA-N 493.604 5.286 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ccc3F)CCC2)cc1 1790564028 PNXUFXWOPFZTHL-OAHLLOKOSA-N 490.373 5.137 30 20 JKED Cc1cc(C)nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c1 1790767202 NJLAPUWYTLEMMX-UHFFFAOYSA-N 458.949 5.285 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(Cl)ccnc5c4)cc3)CCC2)CCC1 1790838400 GVJGBQGGSUJMSE-UHFFFAOYSA-N 458.949 5.330 30 20 JKED Cc1cc(C)n2ccc(C(=O)Nc3ccc(C4(NC(=O)CCc5ccc(C#N)cc5)CCC4)cc3)c2n1 1791001153 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N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C3)cc(C(F)(F)F)c1 1800740944 RMQPYURNKXZABA-ACDBMABISA-N 495.423 5.161 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(Cl)cc1Cl 1801553120 HNDCDPICCWHYGA-JPRXPMQYSA-N 491.440 5.065 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)cc(Cl)c3[nH]1)C2 1801643298 HDAZXASNHAEJMU-SJWGOKEGSA-N 478.818 5.048 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1802742965 SPIGFNQFFXZOFL-QPPBQGQZSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802829119 DSDNMBADWZFCQI-NIDLKEISSA-N 466.025 5.313 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccccc3)CCCC2)[C@@H]1c1cccnc1 1802874994 MUNISBJUCYUZFT-IEUSDUHPSA-N 471.645 5.368 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1803092183 JMIVXBUEMCCLJU-RQHWJSIBSA-N 482.628 5.359 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803224004 YZZIDQRKCBRVDU-IAOIPLGRSA-N 492.063 5.518 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3c(Cl)cncc3Cl)C2)CC1 1804733823 FISGCMNKKWSANN-UHFFFAOYSA-N 494.539 5.284 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4C[C@H]4c4ccc(F)c(F)c4)C3)CC2)c1Cl 1805610301 OJHGFNVMJRDDIE-LEWJYISDSA-N 497.973 5.138 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1809402558 KVAHWTQRPDFFSF-OTPAQWSUSA-N 477.008 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810070923 PHOJTKQPHNPXPP-CJFMBICVSA-N 477.008 5.304 30 20 JKED Cc1cccc(CCC(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810273635 FEVCTRJMMGXKFA-LITSAYRRSA-N 489.736 5.080 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCNc2ccc(C)cc2C)[C@@H]1c1cccnc1 1810368723 IBSNPAAFORTMNG-SQHAQQRYSA-N 476.665 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811434112 AXNPDYKSVIXSOT-YKSBVNFPSA-N 480.008 5.793 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1812369280 FZVORUYAMXLWGK-DHLKQENFSA-N 480.678 5.359 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1813766073 FTNJBFWUPTWQRD-REHUZNOOSA-N 486.443 5.785 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1)c1ccc(-c2ccccc2)cc1 1813953080 WSLIDZFZCWURER-SMCANUKXSA-N 485.587 5.120 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(F)c(F)c2)n[nH]1 1814660221 GBVSKKRNKRDCRV-QFIPXVFZSA-N 456.537 5.081 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)[nH]n1 1814830334 XHYUAXQIRUIGFK-KHMHUBCMSA-N 466.557 5.031 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)n[nH]2)C1 1816223167 JUCSYGYAGYJLAQ-OAQYLSRUSA-N 498.509 5.091 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(OC)cc2)n[nH]1 1817772428 SHVJFMKDDFQLIW-DHLKQENFSA-N 499.615 5.555 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)c(Cl)c1 1818117765 CQNVXQPJXSHNRU-YXBWYFRISA-N 482.993 5.178 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ncccc3c2)n[nH]1 1818478275 FYWCUCPVMNLQGE-DEOSSOPVSA-N 487.680 5.315 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N(C)C)c3ccccc23)n[nH]1 1818609242 HJKAXBJNRMBCLV-MHECFPHRSA-N 459.594 5.147 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COCc2ccc(C)c(C)c2)[nH]n1 1819306031 VDFKVHWFAILPBQ-UPVQGACJSA-N 464.610 5.004 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)oc3C)[nH]n2)c1 1820206587 NFIOWJSLRRYNSC-JOCHJYFZSA-N 489.576 5.109 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)ccc2n1 1821277609 DHDIYFPYHXERGS-DEOSSOPVSA-N 498.974 5.411 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)[nH]n2)c1 1821325767 PAQCOWZRCSSWRF-DEOSSOPVSA-N 498.974 5.411 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)n[nH]1 1821357754 MYINYWWJEMLVGT-QFIPXVFZSA-N 493.608 5.175 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821527702 LUYIYEVYNRVFNW-QFBILLFUSA-N 467.595 5.040 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)[nH]n1 1821925919 CIFMXOVRGQHJAO-ZRRCRCOKSA-N 485.426 5.180 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1821987924 XAPSZDFKEPIRNT-IBGZPJMESA-N 473.911 5.129 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1)C(F)(F)F 1821992343 ZFNRIEZQKVQXQJ-NRFANRHFSA-N 483.494 5.205 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCc2ccc(F)c(Br)c2)[nH]n1 1822404462 UPKXEMSETHIILG-HXUWFJFHSA-N 491.405 5.293 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1822582683 UBWWLUAYLCNVRS-IBGZPJMESA-N 464.463 5.067 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)cc1 1823131617 YPEQBJWWLFOVSM-VWLOTQADSA-N 467.573 5.097 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)[nH]n2)c1 1823212998 OEQZOAJJKCTLOK-JLTOFOAXSA-N 497.386 5.358 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823216134 CABXUIKUUQMNSH-VYEARIFYSA-N 497.599 5.455 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)ccc3C(F)(F)F)n[nH]2)cc1 1823302860 RDTFSJAIKQJUPJ-OAQYLSRUSA-N 499.468 5.253 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccncc3-c3cccc(C)c3)CC2)C1 1823700548 XEVCTBXVALMZIA-HHHXNRCGSA-N 457.618 5.257 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2Cl)N(C)C)CC1 1824145150 UNPRGLHBJRNOSP-CLJLJLNGSA-N 486.100 5.331 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1824240471 AUVNYABDUHAKHK-SXOMAYOGSA-N 457.618 5.231 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1824960441 AVKBNPROGIRNSZ-SANMLTNESA-N 480.649 5.645 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825572473 CSLADHGHZRDBKN-DNQXCXABSA-N 471.642 5.009 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CC2)CC1)c1ccc(Cl)cc1 1826679275 YOQRPEABAPEKHJ-PKTZIBPZSA-N 456.030 5.003 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)CC1 1826682678 GLRZFVAAOIYMHW-GOSISDBHSA-N 456.011 5.092 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc3c2CCCO3)CC1 1827384362 BOYOVJLOPZEQII-NZQKXSOJSA-N 456.652 5.075 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)cc12 1827682784 LKPMKYOCXZUIPL-LTDXDOBXSA-N 489.641 5.210 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)c1 1828400273 HDWVPZUKRAZYDQ-ZNZIZOMTSA-N 476.020 5.249 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1828607089 YSQDLDPHAHTESA-HSZRJFAPSA-N 475.589 5.459 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 1828827477 NNXIWJXOKBXLFD-GMAHTHKFSA-N 459.030 5.350 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1828885953 PBMFUZNXYWZCRG-SVBPBHIXSA-N 490.644 5.285 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1)c1ccc(Cl)cc1 1828994922 NQZPFPQCFZTTPM-HNZJLIOJSA-N 498.067 5.411 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(C)oc2C(F)(F)F)CC1 1829066805 UEAXIKQCCLFMJJ-SFHVURJKSA-N 469.548 5.228 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)CC1 1829068039 BAGKMODGSREJSL-KKUQBAQOSA-N 466.666 5.411 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1829068592 GMXXCQPSDLNVIN-JOCHJYFZSA-N 485.072 5.522 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1829520702 MEOAOIRENRIHDQ-NDEPHWFRSA-N 478.596 5.167 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829572570 ZBKRPUCTYDCKAZ-YKSBVNFPSA-N 489.616 5.252 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829908346 XEEKEJJONLIZEN-AUSIDOKSSA-N 452.620 5.031 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830451829 HJMSIWVXJLEFQG-AZGAKELHSA-N 465.544 5.032 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)C(F)(F)F 1830579257 ZOITWQGMKUHUKR-GOSISDBHSA-N 496.879 5.711 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)cc2s1 1830632523 PQYXUTRVNHJOGC-XMMPIXPASA-N 474.630 5.151 30 20 JKED Cc1cc(F)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830722817 RUKPRHBLYWFCPB-XMMPIXPASA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)CC2)cc1 1830829898 HITOIUBWLPNMNV-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)CC1 1831301943 QNXOEEQNKBIXLR-SANMLTNESA-N 482.665 5.025 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 1831374410 PSFVLMVNPAGQNO-QVKFZJNVSA-N 483.397 5.173 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1831561283 GPFQGFXEQPVMRD-DDZLNHKNSA-N 479.665 5.407 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1831850310 XLAGHLHWCGRKEB-VWLOTQADSA-N 495.461 5.639 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1832628589 XKHUDANCYWOPMR-JIPXPUAJSA-N 496.611 5.516 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CC(c4ccccc4)(C2)C3)CC1 1832986939 DAARPVYRUUPACK-YQDWIIPZSA-N 460.662 5.496 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1835683561 LAVKTKVHELCAFJ-NRFANRHFSA-N 492.491 5.255 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)CC1 1836749872 NYGMFIITACRMJS-UHFFFAOYSA-N 473.057 5.189 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Br)c(C(F)(F)F)c1 1847532300 QPVMKQXKNDPCAI-OALUTQOASA-N 485.344 5.052 30 20 JKED CCn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc2scc(-c3cccs3)c2c1=O 9751527 ILPNXMSVEGWGTD-AWEZNQCLSA-N 472.661 5.030 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10169066 LYTHWYIINZZGCZ-UHFFFAOYSA-O 481.641 6.241 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1 10170270 ACZNKPUNSOYSGD-UHFFFAOYSA-O 458.006 6.269 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 10830125 RFWILLGGNQXVNM-UHFFFAOYSA-O 496.628 5.583 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Cl)c2)cc1 10831187 NZRIFGROZYQIDT-UHFFFAOYSA-O 464.054 6.465 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)ccc1Cl 11018144 JZNNFEYTSACARD-UHFFFAOYSA-N 491.020 5.762 30 20 JKED Cc1oc2cc(OS(=O)(=O)c3cccc(C#N)c3)ccc2c(=O)c1-c1ccccc1Cl 14099894 BFQGCDZTFYYTRN-UHFFFAOYSA-N 451.887 5.061 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1ccncc1 16726066 OLZLJBUOULRORQ-GOSISDBHSA-N 473.627 5.797 30 20 JKED Cc1ccccc1OCc1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1-c1ccccc1 21235862 PGQGSPYCYHAEAK-IBGZPJMESA-N 469.570 5.146 30 20 JKED C[C@@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 21606142 ANVHONJWDJTEEA-XMSCMFJESA-N 470.529 5.201 30 20 JKED Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1C 21881311 YBXLTBRHQOQMEF-IBGZPJMESA-N 487.581 5.090 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)NC1(C#N)CCCCC1 22122465 YNZVCVNRVDBRDK-MRXNPFEDSA-N 469.998 5.063 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)cc1 22731406 AOJIYJNCDXJMPG-UHFFFAOYSA-O 453.653 6.091 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 22799773 ATLSSTZMZWVGAR-UHFFFAOYSA-O 453.990 6.005 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc3c(c2)CCCC3)c1C 28695973 CNLYWSRBHKVIGE-UHFFFAOYSA-O 464.586 5.190 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccoc1C 32324877 MSGUNPWMMBRVES-SFHVURJKSA-N 464.513 5.807 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1-c1ccco1 45766766 VYMYTYMGQVCHQI-LBPRGKRZSA-N 467.601 5.604 30 20 JKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 71988412 ZDYCWCBOQDOJBC-IBGZPJMESA-N 463.512 6.108 30 20 JKED Cc1ccsc1CN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccc(F)c(Cl)c1 195540750 SNFBMORVIMJXSC-UHFFFAOYSA-N 481.984 5.546 30 20 JKED CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 207211081 CZRPNPIFEJLMKW-SDQBBNPISA-N 472.906 5.308 30 20 JKED N#C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc(Cl)c1Cl 303407174 SSOYVPQSSUAZND-JOCHJYFZSA-N 466.368 5.380 30 20 JKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 480123481 KNNOJYQDHPSAHM-XMMPIXPASA-N 474.992 5.751 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)c2)cc1 486974036 GXAUTKYCRGENSZ-QHCPKHFHSA-N 463.331 5.327 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)COc3ccccc3Cl)s2)c(C(F)(F)F)c1 487351221 GNFKZZXXFUIUMO-UHFFFAOYSA-N 451.857 5.295 30 20 JKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 501712316 IQTAKLLNUPUMLR-UHFFFAOYSA-N 483.568 5.414 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)NC(C)C)cc1C 502647822 MDPJEWNXGCOSHG-UHFFFAOYSA-N 462.363 5.255 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnn(-c2ncccc2Cl)c1C(F)F 502908574 GAYUXVZWYCRDQP-UHFFFAOYSA-N 484.734 6.148 30 20 JKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 503018914 CHPXSCNTDYAJBC-UHFFFAOYSA-N 475.599 5.838 30 20 JKED Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)cc1 504210692 LOZDTKUNJXLQNI-IBGZPJMESA-N 450.564 5.001 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(Br)c1COC 508181683 LLLMZBDJBHLKFT-UHFFFAOYSA-N 486.179 5.717 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 509659876 WIPKVWCKANVFCP-BKMJKUGQSA-N 473.529 5.019 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Cl 510009186 FNOVJFLQMLJQFO-HYBUGGRVSA-N 472.976 5.878 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(=O)Nc1cccc2ccccc12 513875405 AEUPHOXGKTXKNC-UHFFFAOYSA-N 450.498 5.572 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 515129346 QPPSNNYEGXEUKG-UHFFFAOYSA-N 469.614 5.699 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccncc1 515353813 JSBMFWDPQWSRHA-IBGZPJMESA-N 455.587 5.236 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)C1CCCCC1 515540496 YFNLHPWOGPEFJA-IBGZPJMESA-N 496.583 5.805 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 515673957 MCJCEHPYDAVAGH-XMMPIXPASA-N 458.518 5.264 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 516502527 AJNKTRFRGIBSGT-UHFFFAOYSA-N 486.297 5.063 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 517533378 SYRHVDCUNYSRJY-KSFYIVLOSA-N 456.011 5.720 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCOCC1 520856684 NDOHRCNEIYIAPV-KRWDZBQOSA-N 474.026 5.470 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520942712 LXCMQPYUEXIWFN-MRXNPFEDSA-N 467.447 5.527 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(COCc3ccccc3)cc2)cc1 522322681 JMIVTHLCSUXVJP-UHFFFAOYSA-N 493.582 6.326 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccco1)Cc1cccs1 524440291 FTCMPZYZMYCVRK-UHFFFAOYSA-N 457.555 6.335 30 20 JKED Cc1cc(Br)c(NC(=O)CSc2nc3c(cc2C#N)CCCC3)c(Br)c1 585688314 KDJSNSLEEMGYSK-UHFFFAOYSA-N 495.240 5.396 30 20 JKED CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 591366576 IDOUOELYBUJNKL-UHFFFAOYSA-N 494.335 5.367 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nnn(-c4ccc(OC(C)C)cc4)c3C)n2)cc1 596533339 LLGPAVIUTADANS-NRFANRHFSA-N 457.559 5.285 30 20 JKED Cn1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c(-c2ccc(C#N)cc2)n1 602759640 OPFONUDBQPWGNP-XMMPIXPASA-N 457.896 5.522 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 603525706 VXAAURZGCOHRFA-UHFFFAOYSA-N 478.596 5.532 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C 603530162 LYJUAYWKIBSOEB-UHFFFAOYSA-N 467.573 5.148 30 20 JKED COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1N1CCCC1=O 603612597 YLWPQRDUDSTQJV-UHFFFAOYSA-N 457.555 5.238 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)c(C#N)c1C 603728447 CKODDMGORDLKDJ-UHFFFAOYSA-N 466.563 5.359 30 20 JKED CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604027265 RZBHHJSBJNPNCB-UHFFFAOYSA-N 454.935 5.438 30 20 JKED COc1ccc(OC)c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604046637 HGFXEEKIWULNCZ-OAHLLOKOSA-N 451.910 5.460 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)cn2)cc1 604213986 ZRAHKTGDKAYUIN-OAQYLSRUSA-N 481.339 5.355 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 604497243 CSYGGYUTADAOQS-UHFFFAOYSA-N 459.344 5.171 30 20 JKED CCc1c(C)sc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c1C#N 609032521 KSEYABIHYBLXHR-UHFFFAOYSA-N 458.337 5.351 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C(=O)N4CCc5ccccc54)cc3)o2)cc1 609059210 CMAGNSOUKJEEJG-UHFFFAOYSA-N 463.493 5.185 30 20 JKED N#CCn1c(C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc2ccccc21 609160853 HOYZMBBBYZEJJU-QHCPKHFHSA-N 473.458 5.579 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)c2)cc1 609199810 ZMSVUISGAVEUIJ-UHFFFAOYSA-N 452.470 5.518 30 20 JKED Cc1cccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)c1C 609378412 GYHJPFHZFMAKJQ-INIZCTEOSA-N 461.509 5.320 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 609428660 RRFGCSVQIZYKHA-GOSISDBHSA-N 454.555 5.091 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cn3c(-c4cscn4)nc4ccccc43)cc2)c1 609430197 ZAUKCYPPCPPUFL-UHFFFAOYSA-N 451.511 5.462 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(-c4ccc(Cl)cc4)n3)s2)cc1 610420863 JEKXYEIGQKNCFI-UHFFFAOYSA-N 470.004 5.731 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)n2)cc1 613317972 BCEARMCUYPNNRX-KRWDZBQOSA-N 470.451 5.952 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346618 MPGKREBEMMIYEA-GOSISDBHSA-N 498.391 6.791 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1OC 613933525 WXDCFVQNIPUOKU-HSZRJFAPSA-N 490.673 5.893 30 20 JKED C=CCn1c(S[C@H](C)c2nc(CC)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 615941413 FYXOLDATHURHET-CYBMUJFWSA-N 456.568 5.557 30 20 JKED CC(C)c1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 618304756 ZAIICYWQVQQPGV-CHWSQXEVSA-N 451.386 5.338 30 20 JKED Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 619321979 MXJYFFOXVQDCQI-GDNZZTSVSA-N 466.344 5.967 30 20 JKED Cc1ccc(S(C)(=O)=O)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281613 MJHFJPNXOJATNG-MRXNPFEDSA-N 465.383 5.319 30 20 JKED O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 643049268 FDNAIHHGWQNSJX-ROUUACIJSA-N 482.424 5.051 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)OCC(C)C)CC1 726140513 LMLNHXZAMOSSNW-UHFFFAOYSA-N 451.542 5.044 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 726396350 RHIKIGLDCGTUBM-NRFANRHFSA-N 499.589 5.065 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC[C@H](C)OC)c1 726399265 NASRJISSLKREGK-UUOWRZLLSA-N 491.613 5.234 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 728029010 TWTNTHLLNIYFEF-JTSKRJEESA-N 499.567 5.310 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cs1 728110268 XQSGJLFVFOHDBI-UHFFFAOYSA-N 487.537 5.537 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 728130186 MTZFDDQCCBIEFC-HDICACEKSA-N 474.527 5.635 30 20 JKED C#Cc1cccc(N(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C(C)C)c1 728247729 NWSLOSVJIPHPAH-UHFFFAOYSA-N 491.016 5.755 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCCCC#N 728777281 JXDQQNTVECOCOZ-HXUWFJFHSA-N 490.963 5.581 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728779740 KJEKGLCWVACHNB-QFIPXVFZSA-N 483.037 5.865 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c1 729634817 UNZYKKISSOKGEU-JOCHJYFZSA-N 480.540 5.137 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 729634882 VXDRNWSVBAKGPT-VWLOTQADSA-N 480.593 5.704 30 20 JKED C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1(C#N)CCCCC1 729726496 GHSQUDKVCQMWRS-HNNXBMFYSA-N 473.356 5.112 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)cc1 730444308 LYXMMMVFLLDTHA-QHCPKHFHSA-N 494.592 5.196 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 730474220 KJUZVQLRHDDBKP-HXUWFJFHSA-N 465.500 6.542 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cocn2)cc1 730716287 RJBFGGNXMXKIPV-QHCPKHFHSA-N 487.585 5.049 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cocn3)C2=O)cc1Cl 730717290 IYKDHCMTJSAFHD-IBGZPJMESA-N 489.384 5.450 30 20 JKED C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3SCCC#N)ccc2Cl)C1 730981796 BNSMWMMPISEEEX-MRXNPFEDSA-N 478.039 5.019 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 730993836 DBDIFEZKAJHWRW-UHFFFAOYSA-N 491.535 5.698 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1ccco1 731303838 CASBFWKUZYWKGB-GCJKJVERSA-N 477.586 5.194 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)cc1 731304907 BTRAEHDFVVYWQP-SBUREZEXSA-N 474.586 5.071 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731400480 PFLTWFGSMMVHLB-IBGZPJMESA-N 450.539 5.119 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 744907880 JQZYRNLTAPBCSP-SFHVURJKSA-N 463.430 5.168 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)ccc1S(=O)(=O)C(F)F 747066781 ONRZYRWJQBRECV-VQHVLOKHSA-N 475.494 5.457 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O 747600786 QYOAIARXDKSWFX-LJQANCHMSA-N 488.997 5.405 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)c1C 748032476 BDJAKNZWOHSPCB-UHFFFAOYSA-N 472.536 5.768 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C(=C/c3ccc(F)cc3)c3cccs3)CC2)c1 749147057 AKTBLIPCSWTOHP-XQNSMLJCSA-N 459.546 5.177 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cccc2c1=O 749151108 XNSGKEPOUKDCEQ-UHFFFAOYSA-N 491.547 5.131 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1 750392794 SYUXJMPOVDZJRU-BEFAXECRSA-N 467.982 5.009 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/C(=O)c2ccc(C)o2)c(Br)s1 797195209 LQNPGMKRYLRWBZ-BQYQJAHWSA-N 499.308 6.407 30 20 JKED CC(=O)Nc1ccc(C(C)=NOCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1 837151484 RLCLAQBBUBIYKI-QHCPKHFHSA-N 478.936 5.010 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 837707396 LUVSWKFPXGIZSR-VFNWGFHPSA-N 482.968 5.596 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837871748 JLDLCUUPZORVGP-YADARESESA-N 488.613 5.510 30 20 JKED COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 875790143 JSUBAMQYUPNDGG-UHFFFAOYSA-N 468.538 5.119 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C 914957144 ZJJVNZLQDFBLCG-UHFFFAOYSA-N 484.961 5.567 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 915032135 MQWNWAISPRYKDM-GOSISDBHSA-N 488.352 5.044 30 20 JKED COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 915352775 KBHZTVKEONVGEL-VWLOTQADSA-N 474.992 5.354 30 20 JKED CC(C)N1C/C(=C/c2csc(-c3ccccn3)n2)C(=O)/C(=C\c2csc(-c3ccccn3)n2)C1 915981518 RBUUAKZMXHWLLJ-ZAORYEFMSA-N 485.638 5.484 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1OC 916057436 CVIJKZDDEBFPGL-UKTHLTGXSA-N 476.504 5.312 30 20 JKED C=CCN1C(=O)N[C@@H](c2cccc(Br)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166812 VSRQDVQJXZBSRD-IBGZPJMESA-N 494.311 5.633 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CC2)C1=O 916214435 NTMDENALMJFTCE-HXUWFJFHSA-N 457.983 5.252 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccccn3)C2=O)cc1 916216000 MRBSIWZGRZMJLT-DEOSSOPVSA-N 488.613 5.339 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccn1 916217175 GZJPOQFHGWBXLZ-OAQYLSRUSA-N 480.540 5.137 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c1 916891347 UCTSSZHDOSDLPM-HSZRJFAPSA-N 455.489 5.263 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1OC 916932743 CQSZMXNEFCLYAE-GOSISDBHSA-N 495.875 5.019 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)cc1OC 916935608 UBHDEOBNAVKCIR-SFHVURJKSA-N 473.554 5.044 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1 916947792 BCIGSHYFCCYDGN-CLOONOSVSA-N 495.645 5.114 30 20 JKED CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(O)n1 916996498 NELXSGQXYWGUBR-CQSZACIVSA-N 479.414 5.452 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccc(Cl)cc1 917047207 TZPNWHJKPOTUIB-OAHLLOKOSA-N 488.425 5.850 30 20 JKED O=C(Nc1cc(F)ccc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccoc1 917100208 CDSMUHAXLNCVAU-RYUDHWBXSA-N 466.353 5.310 30 20 JKED COc1ccc(-c2nc(S[C@H](C)c3cccc(NC(=O)c4ccccc4)c3)nc(O)c2C#N)cc1 917200577 GDKORGZWSSOGRQ-QGZVFWFLSA-N 482.565 5.835 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)n2)cc1 917428443 UIJUQOLJUJSARV-IFMALSPDSA-N 458.587 5.547 30 20 JKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1 917560469 ZTKBQMNHRMGKON-GDNBJRDFSA-N 495.576 5.110 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C)cc1 917682891 LSCMKRZDJBEOPI-IBGZPJMESA-N 493.601 5.307 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc1 919214156 HKOJYCQVWYCYTN-NHCUHLMSSA-N 457.530 5.022 30 20 JKED CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c(Cl)cc1Cl 919864381 OLAPOSTYZMZVJX-AWEZNQCLSA-N 498.432 5.371 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccc(OCC(F)(F)F)cc2)C1=O 920353935 WVXOCNIXUXRLDJ-FQEVSTJZSA-N 493.551 5.019 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5oc(-c6ccccc6)cc5[nH]4)CCC3)cc2)C1 1785810346 ODJWEPLFTJIKPJ-UHFFFAOYSA-N 465.553 6.142 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)COC4CCCCC4)cc3)CCC2)c1Cl 1786014943 QEFYAPPIMBHQBB-UHFFFAOYSA-N 465.981 5.309 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)C[C@@H]4OCCc5ccccc54)cc3)CCC2)ccc1F 1786313574 DZACOXLYEUYNEZ-MHZLTWQESA-N 497.570 5.078 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCC1 1788687346 QNBNLDFNUPCGOX-HNNXBMFYSA-N 454.979 5.666 30 20 JKED Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)n1 1789507409 AGMVMFWYFBENAR-UHFFFAOYSA-N 475.709 5.508 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)cc1 1790255791 OGSVVFMIBYEPFG-CLJLJLNGSA-N 465.553 5.118 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(OC)ccc3NC(=O)OC(C)(C)C)cc2)CCC1 1790691994 DMXLEMNPEXXFDM-UHFFFAOYSA-N 479.577 5.366 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cc6ccoc6s5)CCC4)cc3)c2c1 1790835060 JZCGDAMHMXYNPO-UHFFFAOYSA-N 481.537 5.304 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791301060 MLDKTTUARLUFKC-FQEVSTJZSA-N 493.595 5.129 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1 1792242572 ZDZLATYJKPBLAP-LNLFQRSKSA-N 467.532 5.290 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncccc1-c1ccccc1 1797122838 UVPJMCLFPSWTBB-BKFWDETESA-N 473.693 5.052 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2occc2n1-c1ccccc1 1799111007 XYFZHFHZGDCDPR-UADZTWIMSA-N 457.574 5.244 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4cc(Br)ccc4c2)C3)c1 1799602176 YOILAGQWGIRZOV-BKFWDETESA-N 488.385 5.040 30 20 JKED Cc1ccc(S/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)cc1 1800688852 AKJDEQGSKHHQSN-PHUPPOLUSA-N 466.006 5.078 30 20 JKED Cc1c(Br)ccc(F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2 1800783196 KWKQNJXCFVUKGX-GAZPGATBSA-N 498.396 5.089 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1801696562 KGXBURZNUXKWQF-KOUNCHBCSA-N 490.550 6.095 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1803090065 FPQIVDFXKIFTIO-GGAORHGYSA-N 487.522 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)C2)CC1 1805612295 ZPVFSLBLZMQJCN-BHIFYINESA-N 456.577 5.068 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4c(Br)cccc4c3)CC2)C1 1806026006 FLCNVFZJGQVEEE-IBGZPJMESA-N 499.449 5.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1807840346 CUYNFAASPMCLFF-WWPJHQMMSA-N 494.639 5.540 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccnc3s2)[C@H]1c1cccnc1 1809170453 NPGQEOLYQCLOGK-IFMALSPDSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1810168848 QUJBANQPGWGBJD-RWUBSVTLSA-N 496.051 5.368 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2ccc(F)cc2F)[C@H]1c1cccnc1 1810492090 IZLJFSIXMSGGLU-DVECYGJZSA-N 487.616 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1810503981 UIRSUAYKSOTMRK-CVDCTZTESA-N 464.635 5.245 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)c1 1811722849 SPXPRNZMKHQJCD-CTIQMCIISA-N 488.607 5.018 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1ccccc1 1811907980 RWUMTQMIFKRGHQ-FXVJXKIMSA-N 486.015 5.252 30 20 JKED C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812530575 HYAXTYABACCWNP-SQJMNOBHSA-N 483.534 5.101 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1813989366 XYYPOYXUDRDXOP-OZXSUGGESA-N 493.623 5.322 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC(F)(F)F)n[nH]2)c1 1815573534 WOIINHMCEPQNJQ-DNVCBOLYSA-N 461.488 5.075 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3cccc(F)c3)n[nH]2)cc1 1817764837 LZXJXEFPCHTSLP-XMMPIXPASA-N 494.530 5.102 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)cc12 1819055492 WGCHSWWPIYPZFR-QFIPXVFZSA-N 486.963 5.344 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1819385491 WNJOPUWPDVOUJE-IBGZPJMESA-N 481.698 5.310 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1819556012 OEDDUGGCVBKFJY-JTHBVZDNSA-N 486.060 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)n[nH]1 1819920630 PNJYQDHAIAFFHN-CRAIPNDOSA-N 495.933 5.551 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820220035 GYXLIVBOZXMRTO-LJQANCHMSA-N 498.370 5.216 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3)n[nH]2)c(Cl)c1 1821132030 SNXQVZCMQVKLQA-HXUWFJFHSA-N 499.905 5.156 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821148220 DFGZCRFEBLDXJQ-LJQANCHMSA-N 460.525 5.104 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccoc34)n[nH]2)cc1C#N 1821543204 SYCZGVMZULUSDJ-QHCPKHFHSA-N 497.555 5.434 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1)C(F)(F)F 1821790611 XPYDOSDZNWMXPE-KRWDZBQOSA-N 489.325 5.460 30 20 JKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)[nH]n2)CC1 1822100301 AYNMRUKLLJWNDL-LYHRCORUSA-N 487.608 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc(F)cc(OC)c2)n[nH]1 1822270720 ZEIVERPRLSKVTR-KYDUUQRPSA-N 466.557 5.031 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1822397380 BABZBLMLVRXIIG-XMMPIXPASA-N 465.557 5.507 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1)c1ccc(O)cc1 1822468820 APNJEBVVDGMDCC-RQTOMXEWSA-N 474.605 5.051 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1822582684 UBWWLUAYLCNVRS-LJQANCHMSA-N 464.463 5.067 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)[nH]n1 1822584626 YFCUQQPFFGWRCO-HXUWFJFHSA-N 496.409 5.153 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)[nH]n2)c1 1823217514 LPEUIPOKMDWDKU-JLTOFOAXSA-N 497.386 5.358 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1 1823381732 HUJPSDDFXJBHQW-QFIPXVFZSA-N 499.656 5.170 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)cc1 1823685426 XBSPQYASYWZWAI-AREMUKBSSA-N 469.585 5.171 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1)c1ccccc1 1823806706 AXOPFPPTHREFHD-XRKRLSELSA-N 471.645 5.160 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053419 XSTSVZMCOGKSOC-GBXCKJPGSA-N 495.714 5.353 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1824056558 WPNBQNSKNCDFIW-GDLZYMKVSA-N 499.655 5.213 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1824544721 NXZIHKBQGJALKS-WOJBJXKFSA-N 474.564 5.032 30 20 JKED CCCC[C@H](CC)COC(=O)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC#N)CC2)cc1 1826320611 DLYOBHWXSAEURP-NVQXNPDNSA-N 495.664 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)CC1 1827939709 IRVQOLCLKCYYNG-UXHICEINSA-N 465.560 5.046 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)cc1C#N 1828262151 RDOSXQFSOQDXBM-AREMUKBSSA-N 499.611 5.639 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1828351463 HPGYWIRQOGDLRS-QPPBQGQZSA-N 454.014 5.191 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1828826700 AOYYLQJGCRAFTF-NZQKXSOJSA-N 462.556 5.707 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCn2cccc2)CC1)c1ccccc1 1829036153 ZSCOPSJMZKXKDJ-VSGBNLITSA-N 473.661 5.085 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562834 JUGHNKYPZAMOGO-KCWPFWIISA-N 483.656 6.052 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829570193 IZTZQGPVEADIER-XUZZJYLKSA-N 489.616 5.048 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576539 CVCHIYGZGPQDML-IERDGZPVSA-N 467.660 5.001 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)ccc2[nH]1 1829693269 YGJDNGLCQFUREG-RUZDIDTESA-N 489.019 5.549 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829923829 SEXABWNLXFOQQN-QHCPKHFHSA-N 480.008 5.157 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1830393116 MTKVXSQYGDGELK-RPWUZVMVSA-N 489.701 5.068 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830472486 WEVHUDFSHDVBIT-RUZDIDTESA-N 499.989 5.356 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1830632215 FDJIWANPMLFADU-GDLZYMKVSA-N 498.671 5.290 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)c1 1830697858 JXHFSLRBIGOWEL-AJTFRIOCSA-N 487.644 5.486 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830717457 MGSAMCHYTFMPQV-IBVKSMDESA-N 461.581 5.043 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1 1830718036 UFCDIODYWAZHKG-AREMUKBSSA-N 459.565 5.122 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSC3CCCC3)CC2)c(Cl)c1 1830720868 KEUNDFYLAMQSIR-HSZRJFAPSA-N 474.070 5.121 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1831446344 ZPRASWJRVKERJN-OAQYLSRUSA-N 471.548 5.095 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1831840751 PJEUPEMSSVGHEM-PBHICJAKSA-N 451.057 5.106 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)c1 1832629191 LMZSCVWERKHUEQ-JIPXPUAJSA-N 487.619 5.418 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)CCCCC)CC2)CC1)c1ccccc1 1838417599 GDGGSEDFSAPYKH-UFHPHHKVSA-N 480.693 5.399 30 20 JKED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2ccccc2)C1)c1ccc(O)cc1 1844868093 HUQMJACQGIJQQQ-XMMPIXPASA-N 494.591 5.199 30 20 JKED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](F)c4cccc(F)c4)c2)C3)cc1 1845412677 LVLNGLWYVVJYSG-AREMUKBSSA-N 485.534 5.081 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 8632632 QNJUDQYEJGJYSW-SSZFMOIBSA-N 469.522 5.433 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570811 FKFFEGYPVSGTTO-BXKMTCNYSA-N 468.026 5.047 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2ccc(CC)cc2)cc1 10173436 QHGKOSBIIRQASS-UHFFFAOYSA-O 465.642 6.817 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 11261490 XQWVEVLOILZGLB-UHFFFAOYSA-O 495.668 6.748 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 15409609 WYXDSROUSQOMAM-UHFFFAOYSA-N 485.949 5.190 30 20 JKED CCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 21670124 PXIWOYFOIOYJBO-INIZCTEOSA-N 471.989 5.575 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)NCCc2ccccc2)cc1 22735524 SCKRPZPWURIMEM-UHFFFAOYSA-O 468.440 5.070 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nnc1-c1ccc(F)cc1 23635397 AMLYMXYCUYARGF-UHFFFAOYSA-N 465.579 5.704 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4nnc(C)s4)c3C#N)C(C)(C)C2)o1 28864500 ULWJSBFSMCVKGK-SOFGYWHQSA-N 482.656 6.190 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc(OCc5ccccc5C#N)cc4)CC3)c2c1 32337582 VQWMUMIJAWQQTB-UHFFFAOYSA-N 463.537 5.557 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 78669021 TYDCZVMHPXIUJF-UHFFFAOYSA-N 454.349 5.894 30 20 JKED CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 107805558 NDPOJEDLFUZEKW-QMHKHESXSA-N 476.964 5.491 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 108848380 WFYOJOVGIQTVEE-UHFFFAOYSA-N 459.977 5.185 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nnc1-c1ccccc1F 195569061 BYLITZWTAXKYHM-IBGZPJMESA-N 493.589 5.395 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccccc1F 195569652 AZRPHRWDFRUHHH-UHFFFAOYSA-N 450.511 5.316 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 255931032 RDAZXUPWIPYDPP-CYBMUJFWSA-N 497.835 6.123 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1 303022723 LZZZSRBKPKETJB-UHFFFAOYSA-N 458.008 5.900 30 20 JKED Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4ccc(Oc5ccccc5C#N)c(F)c4)c3)cc21 475229419 CPKXEJQCYCPJFL-UHFFFAOYSA-N 479.471 5.396 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 480401706 GMWVUBKCPXWQDR-DEOSSOPVSA-N 455.518 5.754 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501420393 LPVLCRAKFNZBQA-SFHVURJKSA-N 477.561 5.170 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccnc3Oc3ccc(Cl)cc3Cl)CC2)c1 501711990 HGBQDYNSRWXACD-UHFFFAOYSA-N 495.366 5.543 30 20 JKED C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 503704726 YZOFJWDHNAGOJT-VWLOTQADSA-N 469.585 5.715 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 508280917 RALSKFCNYQIPEP-UHFFFAOYSA-N 476.577 5.052 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2cccc(F)c2)C2CCCC2)CC1 512289363 SIQZQGSPNZSOEL-UHFFFAOYSA-N 462.525 5.133 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 512857751 SRVQYDQQWCYOTQ-LXFBAYGMSA-N 499.567 5.097 30 20 JKED Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513949953 JGGOAJVUXDNHFL-UHFFFAOYSA-N 470.548 5.476 30 20 JKED N#Cc1cc(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)ccc1Cl 514489315 ZDODCHKXAWSYDU-UHFFFAOYSA-N 466.975 5.461 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)Cn4nccc4[N+](=O)[O-])c3C#N)C(C)(C)C2)o1 515840368 LJIDCWBZBKBETL-FNORWQNLSA-N 463.519 5.043 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3)Cc3ccco3)cc2Cl)cc1 515940651 NVDUONZMEGHUNM-UHFFFAOYSA-N 485.927 5.764 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 518155679 YXJSDECSCYYNHC-YWZLYKJASA-N 477.552 5.799 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccc(C)cc2)cc1 518586500 DHKSFTIDDTYBOS-MUUNZHRXSA-N 491.547 5.512 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2csc(Br)c2)cc1Cl 520143036 DZWKDEDAEUWANO-QGZVFWFLSA-N 488.794 5.074 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2C(F)(F)F)c1 520556909 PVVQQIOQTPHDGX-UHFFFAOYSA-N 462.431 6.116 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1c(Cl)cccc1Cl 520668896 JGYYSNCEYOMZLS-UHFFFAOYSA-N 483.355 5.085 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 521720673 RTIJHEXWMDUAPF-ZDUSSCGKSA-N 459.597 5.403 30 20 JKED Cn1ccnc1[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(F)c1 523874669 VKBBRXNKTRCWHW-VWLOTQADSA-N 471.511 5.071 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)n2)cc1F 524388322 XMZRRGHGOKLVIN-UHFFFAOYSA-N 470.504 5.515 30 20 JKED COc1ccc(C2(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CCOCC2)cc1 547409912 JEJGYNHLXZYSKB-UHFFFAOYSA-N 456.542 5.027 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccccc1OC 576419878 FOYOBNUERIGEJO-OAHLLOKOSA-N 474.989 5.071 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)ccn2)cc1 603810604 YONXCQNBMHYBFU-UHFFFAOYSA-N 467.485 5.263 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(COCc3ccco3)c2)cc1Cl 603812861 WDLKIPKNOGIZSG-SANMLTNESA-N 485.971 6.627 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604027258 RNSAHODQJRMCDU-UHFFFAOYSA-N 470.920 5.107 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 604135653 QFAMWDTUKHCERV-UKILVPOCSA-N 459.977 5.838 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 604548057 OYULUIASNHUPIR-UHFFFAOYSA-N 490.566 5.169 30 20 JKED CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 608796947 FHAUCTGSHBDAIM-JOCHJYFZSA-N 477.948 5.609 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 608939622 AZEZJHZZJTXATH-UHFFFAOYSA-N 482.609 5.796 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC 609007736 SYFSVCHVOIXJFF-HNNXBMFYSA-N 478.357 5.137 30 20 JKED COc1ccccc1-c1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cs1 609061228 WWDHVHTZTCAEIH-UHFFFAOYSA-N 455.539 5.830 30 20 JKED COc1cccc(N2CC[C@H](NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 609115468 HYAGRZBBVZEDFY-RDPSFJRHSA-N 460.965 5.404 30 20 JKED Cc1cccc(COc2ccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c(C)c2)c1 609228576 YYQQXFGPZIQAMY-UHFFFAOYSA-N 462.571 5.212 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 609377129 PDINATCUYITJDJ-CQSZACIVSA-N 461.534 6.262 30 20 JKED CC(C)CC[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)cc1 609402639 FBHLOYPQLIDPQN-PXNSSMCTSA-N 458.027 5.824 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 609415385 GTLDLINZYJTNFH-HSZRJFAPSA-N 482.613 5.100 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cc2)c1 609427348 FQCIEZXLTJNVDY-UHFFFAOYSA-N 454.511 5.241 30 20 JKED CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613407499 VMRGDSPNSKHHBA-LJQANCHMSA-N 488.034 5.393 30 20 JKED C=CCn1c(SCCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccccc1 644193117 XOQWICWRFXIPOG-HSZRJFAPSA-N 460.628 5.581 30 20 JKED C=CCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 673639497 JOKJLCNXTPMQGV-UHFFFAOYSA-N 488.375 5.978 30 20 JKED N#CCCCOc1cccc(/C=C2\CCOc3ccc(I)cc3C2=O)c1 726744193 WKFCMABUHOWACG-FOWTUZBSSA-N 459.283 5.023 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)cc1 728411891 OIBRRMVYRLGVNK-DYVFJYSZSA-N 470.360 5.357 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccsc2)cc1 728422251 FXWGVKCOLYIEPX-OAQYLSRUSA-N 460.584 5.089 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)c2)cc1 729376003 ZZIGZDVHSYBTEI-SDXDJHTJSA-N 487.581 5.002 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1OC 729425463 JBRPQXLPDWFGQM-SFHVURJKSA-N 466.950 5.061 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)c1 729631313 GQPCPRXVICKTTI-ICAVPRFASA-N 494.642 5.050 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cc(F)ccc3F)C2=O)cc1 729631936 NMCYRUNWILBKGH-QHCPKHFHSA-N 490.535 5.305 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(Cl)ccc(C)c2Cl)[n+]2cccc(C)c2)c1 729670675 UFJAHNUGMXVPAJ-UHFFFAOYSA-O 478.377 5.328 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)n(C2CCCC2)c1C 730631563 NMVZRUWVBUJNGI-UHFFFAOYSA-N 498.555 5.373 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N/C[C@H](O)c1cccc(C(F)(F)F)c1 730733377 ZISSVCFUONYWMK-YYMLYZOBSA-N 467.079 5.089 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 731076934 CSZDQHHYQJTDJO-KBRIMQKVSA-N 463.386 5.673 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731304770 ASHIEOYSTBCFOU-VFNWGFHPSA-N 483.977 5.230 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2C2CCCC2)c1 743512133 MIQJSLKAAJAZMQ-OAQYLSRUSA-N 483.565 5.044 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)c(C)c1 746597649 SBDRLOKRPMEXOH-HNNXBMFYSA-N 465.600 5.341 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c1 746693860 GCUCEJXWNVFDJY-FQEVSTJZSA-N 475.561 5.049 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCC)cc1OC 747190204 MKYFFHMQISMCNY-XMHGGMMESA-N 490.025 5.007 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cscn1 747602992 OAIQPDJHGGAJSR-FQEVSTJZSA-N 486.569 5.144 30 20 JKED CCCc1nc(C(=O)Oc2c(Br)cc(C#N)cc2OCC)nn1-c1ccccc1Cl 748606398 GXYFUXPNDSUDOG-UHFFFAOYSA-N 489.757 5.125 30 20 JKED CC(C)c1ccc(-n2c(SCc3nc4ccccc4c(=O)n3CC#N)nc3ccccc3c2=O)cc1 787373348 FYHNBCDPUBAYQY-UHFFFAOYSA-N 493.592 5.035 30 20 JKED C=CCn1c(SCCS(=O)(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 808794520 LCRDIVVTGLJGAM-UHFFFAOYSA-N 454.404 5.004 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 837838756 DTQWWJKOXNTCGY-HTAPYJJXSA-N 462.550 5.251 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)cc1 838082503 DGTGBVYPXGMHFE-CYFREDJKSA-N 488.613 5.429 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1[C@H](C)c1ccccn1 838188241 YWYIYIIPUSVYKX-HOYKHHGWSA-N 488.613 5.374 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1cccc(Cl)c1 853770988 VSLRMJCJDVNYLM-QGZVFWFLSA-N 453.999 5.354 30 20 JKED CCN(C)Cc1cc(O[C@H]2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C2)ccn1 856632549 OZWSJPOZBRSKQH-QHCPKHFHSA-N 490.991 5.144 30 20 JKED C=CCOc1ccc(/C=C\c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cc1OC 904595532 XJIUHEFUXWIJEU-BENRWUELSA-N 453.926 5.132 30 20 JKED C=CCn1c(SCC(=O)Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)nnc1-c1ccc(Cl)cc1 914265712 ZVWALADLMAOSDL-UHFFFAOYSA-N 499.036 5.491 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 914694516 MSTCIXGWXMDGKF-HRAATJIYSA-N 451.523 5.010 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OC)c(F)c2)cc1 915110979 GRHGTELWXTVYJC-HSZRJFAPSA-N 493.560 5.003 30 20 JKED C[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccc(F)cc1Cl 915511975 MOZPEJSSCFFEMY-OAHLLOKOSA-N 452.869 5.114 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1Cl 916057298 NKTKLBKEEXPHJA-NRFANRHFSA-N 497.979 5.171 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(C[C@H]3CCCO3)C2=O)c1 916208116 UJLSDELKNWNKOW-NFBKMPQASA-N 465.619 5.060 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(OC)cc1 916213584 DNAMOBVGGCSOQV-IBGZPJMESA-N 490.969 5.017 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846447 VTJGDVONQYKSQB-MRXNPFEDSA-N 495.402 5.247 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)cc1 916885762 BDMSKPLGCJVUCZ-KRWDZBQOSA-N 473.526 5.403 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1Cl 916932172 RRAWKWMXVAUXBX-GOSISDBHSA-N 489.790 5.648 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1OC 916933752 SKYOQGNIKFVAGR-INIZCTEOSA-N 494.960 5.027 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4cc(Cl)cc(Cl)c4)cc3)o2)cc1 916944803 NOXSEWDDTGIPMY-OAQYLSRUSA-N 491.334 5.980 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1 916974144 FCDINIFDABKYEN-IBGZPJMESA-N 483.540 6.680 30 20 JKED CC(C)(C)c1noc(CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 916997177 SXXFKVOZDMSRPF-AWEZNQCLSA-N 463.390 5.997 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1 917425301 WNODSCZFQZAXIP-KRWDZBQOSA-N 485.924 5.071 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(C[C@@H]3CCCO3)C2=O)c1 917701083 RCECDHSRIHNAJC-UKILVPOCSA-N 487.625 5.596 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 920110309 OJOQHQRWQZWKPB-FQEVSTJZSA-N 494.389 5.727 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cc(C)on2)cc1 920354493 DDCJNPBRXJLYAO-XMMPIXPASA-N 484.581 5.605 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@@H]2c2ccccc2)c1 920356462 PKELBKYOAZCYID-YMVVMYQSSA-N 491.657 5.017 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2sc3ccc(F)cc3c2C)n(Cc2ccco2)c1C 920552111 JROUXQWMEYTPAH-UHFFFAOYSA-N 465.506 5.076 30 20 JKED C[C@H](OC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1C#N 920672035 QSLCLEZOZHRUKJ-LSDHHAIUSA-N 469.950 5.059 30 20 JKED CSc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)cc1 920806743 PEXCXGCCAOFCNP-CJNGLKHVSA-N 469.538 5.040 30 20 JKED CC[C@@H](C)Cc1c(C)sc2nc(S[C@@H]3CCN(c4sccc4C#N)C3=O)nc(O)c12 1458897138 NATIMBFRUOIZLF-IAQYHMDHSA-N 458.634 5.125 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3(C#N)CCC3)C2)cc(C(C)(C)C)c1 1783127475 HHJSMTQAXORQIG-AYWVHJORSA-N 493.692 5.103 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Br)ccc4c3)CCC2)cc1 1785936738 UHBOODAFAPEKPS-UHFFFAOYSA-N 491.389 5.295 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1 1786591531 ZDZLATYJKPBLAP-LRYGQEGESA-N 467.532 5.290 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1789020708 YHLYPKWHMJFUPL-UHFFFAOYSA-N 479.536 5.309 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H](C)CCN3C(=O)OCc3ccccc3)cc2)CCC1 1789165435 AIJPUMWCPBBASW-BWKNWUBXSA-N 489.616 5.134 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc4ccc(Br)cc4n3)cc2)CCC1 1789363696 FPTHOICPAYXQMS-UHFFFAOYSA-N 464.363 5.321 30 20 JKED Cc1nc2sccn2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1789378700 RETBCXRSPKENIV-QGZVFWFLSA-N 483.597 5.393 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccn5nccc5c4)cc3)CCC2)c1 1789385059 ICHHECHDDKYORJ-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OCC)CCC2)cc1 1789496213 MDUMSJIEMZPPAQ-QFIPXVFZSA-N 470.997 5.060 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1789513282 WHKIAHGGNXGVOL-VIJJQIEHSA-N 479.024 5.049 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1)c1ccccc1 1789600875 SRPKSNFPGHRGAC-RUZDIDTESA-N 476.580 5.508 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4csc(C(F)(F)F)n4)cc3)CCC2)cc1 1789882930 HYPCEIZFAZDXLM-UHFFFAOYSA-N 470.476 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3=Cc4ccccc4NC(=O)C3)cc2)CCC1 1789999244 DSRRWCGMIWEDEF-XMMPIXPASA-N 469.585 5.315 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3[nH]cnc3-c3cccnc3)cc2)CCC1 1790026534 LPOUABKPQXRSJK-UHFFFAOYSA-N 457.578 5.212 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790592698 PGBKKIZZUYCMPY-FQEVSTJZSA-N 455.558 5.087 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)cc3F)cc2)CCC1 1790610092 DFKOZOWOJBXEKF-CQSZACIVSA-N 463.912 5.167 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cnc4Cl)CCC3)cc2)cc1 1790706909 ZUSPPUJJJZCDMC-UHFFFAOYSA-N 462.912 5.002 30 20 JKED Cc1ncccc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790764319 UWSXNQJQAHFYEI-UHFFFAOYSA-N 472.976 5.296 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ccc3F)CCC2)cc1 1791580416 AXJHRNJVDMGYRD-UHFFFAOYSA-N 457.343 5.139 30 20 JKED COc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123381 XLUNGZFSARUPMG-HXUWFJFHSA-N 483.568 5.149 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(C#N)c1)C2)c1ccccc1 1793208095 GCWLVPBVCCQQSL-JTOYRKQZSA-N 494.433 5.012 30 20 JKED CC[C@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)c(C#N)c1)C2)c1ccccc1 1795574267 HGHZTABKQHFLBW-VRTVZIHNSA-N 487.644 5.427 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1C#N 1797779274 PKWDZQUIJSWAJA-VUXRACJTSA-N 492.019 5.054 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(F)F)cc1Cl)C2 1798420462 JOBHTEMRYQCSQN-BCDXTJNWSA-N 497.058 5.244 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(-c2ccccc2)s1)c1ccccc1 1798949135 QJVOWPWXUYSWGF-ZFFYZDHPSA-N 483.637 5.259 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c(Cl)cc1C 1799240132 ICKYDSHJFQCHMV-MHORFTMASA-N 479.846 5.431 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(OC(C)C)c(Br)c1 1799878808 JKBCHQABQISULJ-QRLLNIQASA-N 489.454 5.100 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2)C3)c1 1800781742 PRDPCJQFLZWCME-NUNAXRQHSA-N 480.406 5.010 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1803084179 OYHDEUWRIJVXSU-KNQAVFIVSA-N 475.511 5.090 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sc4ccccc4c2Cl)C3)c1 1803679078 LYYUGPFNLLMRKM-QLIIJSOBSA-N 478.017 5.747 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)[C@@H]2c2cccnc2)o1 1803786700 WADPJLNFTBVFRC-LMSSTIIKSA-N 489.575 5.016 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cccc(Cc5ccc(F)cc5)c4)CC3)C2)C1 1804787261 USPSTDAMUMRNFS-UHFFFAOYSA-N 460.593 5.228 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)ccc3OCC)CC2)C1 1804866511 CKWOYYUZDPMOJL-UHFFFAOYSA-N 461.046 5.576 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)Cc3cccc(CCCCC)c3)CC2)C1 1806016036 LGNYZPFOPMBUMU-UHFFFAOYSA-N 468.682 5.176 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)COc3cccc4ccccc34)C2)CC1 1806667756 DFBXIKILULILDJ-UHFFFAOYSA-N 462.634 5.442 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1c1cccnc1)c1ccccc1 1810448055 RGKRQUKIPZHROH-DBHPEBNYSA-N 471.645 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1810504541 DZHBOJMJPMTESF-LPHOPBHVSA-N 480.461 5.762 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)n2)[C@H]1c1cccnc1 1810505040 LHJUBDPIFZLEOC-UWJYYQICSA-N 475.420 5.095 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1811228821 LEZQTKOYXQHDDG-AZGAKELHSA-N 475.633 5.347 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811786715 IHOMYSUOMAHZBS-HXOBKFHXSA-N 476.379 5.041 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1 1811795744 BNVHSHHADVXXSO-RDPSFJRHSA-N 493.394 5.202 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812514729 APOJOGIPDOEQFA-BUZMGHMJSA-N 488.097 5.135 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cn(-c4ccccc4)c4ncccc34)[nH]n2)C1 1814394228 KGEODBYTKSFFCO-XMMPIXPASA-N 480.572 5.021 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cccc3ncccc23)[nH]n1 1814440308 QBUVXVDKBZGBDQ-HSZRJFAPSA-N 459.594 5.185 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)c(C(F)(F)F)o1 1814736832 LGLWBAHPAXQJAS-HXUWFJFHSA-N 499.493 5.140 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[nH]n1 1814824493 VRALXHBQEWISTK-XJUOHMSHSA-N 450.558 5.113 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)[nH]n1 1814828647 CARPPLLDMJKDIQ-NRFANRHFSA-N 490.633 5.311 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCCC)cc2)[nH]n1 1814829330 FGHYNEZEYFOUSR-QHCPKHFHSA-N 450.583 5.273 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1814829455 QKRWREKPHDMMDH-JOCHJYFZSA-N 465.985 5.619 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccccc3Cl)n[nH]2)c1 1816905760 BBNAPZOJODAYLK-HXOBKFHXSA-N 475.980 5.239 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)c2[nH]1 1818651968 JYCAGFGQMJDCAX-CTDFXDFQSA-N 487.585 5.006 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818706313 PDMZKXJUQHFBFZ-JOCHJYFZSA-N 476.653 5.513 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(F)(F)F)nc3ccccc23)n[nH]1 1819192918 IVBJIZFBPFPXLY-FQEVSTJZSA-N 483.494 5.086 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1819366754 BQDXWUZMXRCPNN-FYYLOGMGSA-N 486.572 5.188 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1819386840 LWZXKIXZEZTRNP-JOCHJYFZSA-N 496.087 5.292 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2coc(C(C)C)n2)[nH]n1)c1ccccc1 1819515855 CBHNFQRFDPCINF-REWPJTCUSA-N 473.577 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)[nH]n1 1819555911 JKLQFKVDFAWZMY-HSZRJFAPSA-N 477.584 5.324 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820116109 DTJWDAYFSCXEPO-OAQYLSRUSA-N 471.586 5.339 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820150443 LEHCINGIWVOTFM-DEOSSOPVSA-N 479.584 5.439 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217011 AQLKLSADBQLGAK-IZLCOFNUSA-N 479.993 5.406 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3cccn3)cc2Cl)n[nH]1 1821021390 KICSKOXXPKKWPG-CVDCTZTESA-N 493.011 5.323 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821048832 SDMKNSNZLRKFJL-YADARESESA-N 489.576 5.309 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821089385 GXPCHYYMZIPBSE-INIZCTEOSA-N 490.860 5.599 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occc4c3O)n[nH]2)c1 1821503829 PWYDNDKATBSUOF-ZHRRBRCNSA-N 483.528 5.108 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821609263 CHTDYGCQZGFRKE-HYBUGGRVSA-N 476.602 5.569 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1 1823288792 DAUXHFLUCDAAIQ-FQEVSTJZSA-N 478.515 5.026 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(F)c(C(F)(F)F)c1 1823298228 FYTNTFDMGIEEGS-INIZCTEOSA-N 494.411 5.606 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC3CC3)c(F)c2)n[nH]1 1823319498 SDOXYKSYQLYEHV-HSZRJFAPSA-N 480.584 5.412 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1823885881 KYIUXFCTLYYFBA-NRFANRHFSA-N 486.538 5.037 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1823928610 TYJAPUJGYJKGDJ-RBBKRZOGSA-N 489.056 5.359 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1824501361 PDGSRZVKCMARDI-JOCHJYFZSA-N 484.534 5.061 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1824539296 VFPLTGXEALVPAF-SIKLNZKXSA-N 462.656 5.228 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccs3)CC2)c1 1825315883 VRGZHKRMJPBJCG-CJFMBICVSA-N 463.647 5.241 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)n1 1825386809 DBKUPXVBJSRMDB-JOCHJYFZSA-N 485.053 5.339 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1)c1cccs1 1827775569 AKHROGZCUHSCSN-DKFQHHCZSA-N 494.535 5.032 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828167479 FBQIFIPUUZYAAZ-AHWVRZQESA-N 481.706 5.094 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1828216314 JQHKTQKFUBNHPR-AREMUKBSSA-N 499.611 5.185 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 1828822751 ALNPPSYPJOJQFG-XDZVQPMWSA-N 452.614 5.317 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(F)(F)c2ccco2)CC1)c1ccccc1 1829035043 JPJOWEHZPBKLHX-ZEQRLZLVSA-N 482.571 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)CC1 1829418057 WSKNIJHCDKHOOX-YADHBBJMSA-N 463.544 5.102 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1829589825 RTOXWOIQERAMQS-RUZDIDTESA-N 456.590 5.039 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829837217 FPRBNPFPDBEUBA-RXVVDRJESA-N 473.614 5.072 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1829902392 PDHVKEIBIYJOSB-JOCHJYFZSA-N 470.400 5.412 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1830411023 KKGOXKREDGXAID-ZPZUNKDASA-N 490.088 5.500 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1830446177 IEWYAXTXDITCKU-WXVAWEFUSA-N 487.644 5.384 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830536582 KQZHFNAJIBDIBL-OAQYLSRUSA-N 466.931 5.006 30 20 JKED CCc1oncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601919 MCKAFOBJUNGNAZ-MUUNZHRXSA-N 495.623 5.184 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1830720852 JFORNRUXTFUUBX-JOCHJYFZSA-N 489.925 5.176 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCOc3ccc(F)cc3)CC2)c(Cl)c1 1830720894 LOMAUHKXAOBFCA-RUZDIDTESA-N 497.998 5.053 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830771185 TYISGYKHNVUBKX-DEOSSOPVSA-N 483.534 5.433 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1831444957 SWWDYWHGUJUUOO-SFHVURJKSA-N 481.996 5.394 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F 1831455412 LBHCKBDHDGMUHR-SFHVURJKSA-N 480.424 5.196 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1832630055 XVVFDEJMGRECON-SIBVEZHUSA-N 496.026 5.582 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 1832634608 XKPSJJYBUSADPI-PIKZIKFNSA-N 482.628 5.271 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)CCC1 1832785490 BRGMKHHKOABWEN-OAQYLSRUSA-N 453.970 5.013 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)c3ccc(Cl)cc3)CC2)CC1 1833193348 GTZQILWLNVOJBY-HXUWFJFHSA-N 474.089 5.008 30 20 JKED Cc1c(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)oc2ccccc12 1838218716 YMALFZHWYYTWQF-HXUWFJFHSA-N 499.611 5.294 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC12CN(C(=O)c1cccc([C@H](C)C#N)c1)C2 1845535350 UJXXGIOUEZBDJB-MRXNPFEDSA-N 456.373 5.060 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc3c(c2)CCCC3)c1C 10170935 GIZYPQNGZBSXEU-UHFFFAOYSA-O 476.622 5.025 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 11128383 FEQMJCNNYNGISI-UHFFFAOYSA-O 488.555 5.754 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC)cc2)c1 16032295 ZXWSKJSNIRRVOK-UHFFFAOYSA-N 470.978 5.372 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 16787366 SUMZMIZIPDSPQY-OAHLLOKOSA-N 469.950 5.293 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1cccnc1 18404876 FLEZTHIJZALMNH-QHCPKHFHSA-N 455.587 5.615 30 20 JKED Cc1nc(-c2cccs2)ccc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 21550282 DFQKYOYARLYYCM-UHFFFAOYSA-N 462.575 5.319 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)NCc1ccc(OC)cc1 22692716 XWMWOMGAMVSVMF-UHFFFAOYSA-O 484.439 5.036 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730562 SRSZTDPUQUMQLO-UHFFFAOYSA-O 472.033 6.578 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)c1 22732300 DTQBERXPORRIGZ-UHFFFAOYSA-O 451.562 5.744 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22800429 FTNIQQGZETZDJK-UHFFFAOYSA-O 486.976 5.987 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(COc3cc(C)ccc3C)o2)cc1 23972435 DSHYLQDNICQUNS-IBGZPJMESA-N 450.564 5.001 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(NCc3ccc(F)cc3)s2)c1 28122662 OWCICWOAMINTHJ-KRWDZBQOSA-N 469.611 5.334 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(CC#N)cc4)sc3[nH]2)c1 29930639 CUDWCDZKWDFNBD-UHFFFAOYSA-N 474.611 5.521 30 20 JKED CN(C)c1ccc(C#Cc2cnc3c(ccc4cc(C#Cc5ccc(N(C)C)cc5)cnc43)c2)cc1 95830641 IZICIFRZYFFQDO-UHFFFAOYSA-N 466.588 5.715 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 195632208 GIKFGASEPTUSSY-MHZLTWQESA-N 450.542 5.316 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)sc2nc(C(F)(F)F)ccc12 195687739 CCDDCXFSAANOPO-INIZCTEOSA-N 453.445 5.738 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2nc(C(F)(F)F)ccc12 195687759 PRQQGRXVBFKZHJ-NSHDSACASA-N 472.275 5.892 30 20 JKED N#C[C@@H](C(=O)c1cccc(I)c1)c1nc(-c2ccc(Cl)cc2)cs1 247751545 SWGWRMKCNHSNNA-HNNXBMFYSA-N 464.715 5.558 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 303328393 VWPOAUQZECVMGG-OAHLLOKOSA-N 469.661 5.248 30 20 JKED COc1ccc([C@@H](NC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)cc1Br 485416976 ZSJUBMOWNYLINL-DEOSSOPVSA-N 481.415 5.468 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CSCc3cc(-c4cccs4)on3)s2)cc1 488309270 WHVXDNVCDOHADS-UHFFFAOYSA-N 485.641 5.290 30 20 JKED COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)c(OCCCC#N)c2)c(OC)c1 493886121 QDJDFTFCSVTHDQ-AREMUKBSSA-N 473.529 5.166 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 500071865 ZLKDJSWIOQPTFO-GOSISDBHSA-N 498.633 5.904 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CSCc3coc(-c4ccccc4)n3)c2)cc1 501419416 GKFYPARDTDEXMT-UHFFFAOYSA-N 469.566 5.859 30 20 JKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501704943 ZUQJHGMZMDQJCR-CQSZACIVSA-N 462.402 5.223 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 508129810 CRDPJCCXIRSDKC-UHFFFAOYSA-N 494.016 6.029 30 20 JKED N#Cc1cccc(COc2cccc(CNCc3cccc(NC(=O)c4cccc(F)c4)c3)c2)c1 513646796 BMMKGZUCCNHBPF-UHFFFAOYSA-N 465.528 5.818 30 20 JKED CCC(=O)Nc1ccc(Cl)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513991088 CCJFDXLVGPUYJQ-UHFFFAOYSA-N 464.928 5.934 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)s2)cc1OC 514560431 OUXUOZJLHUDYDH-LBPRGKRZSA-N 453.589 5.446 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1OCC(=O)N(C)C 519052987 SKFPJWVEKWOOAJ-XMMPIXPASA-N 472.545 5.090 30 20 JKED Cn1c([C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c2ccccc2)nc2ccccc21 520445020 VALBQLUMBIXHAL-JOCHJYFZSA-N 479.462 5.297 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c3c(C)noc3n2)c(C)s1 521327005 LZLIEOWEAHKKKS-CYBMUJFWSA-N 462.600 6.523 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 522242682 WMDMIWRXFPSZPR-UHFFFAOYSA-N 470.501 6.005 30 20 JKED C=C(C)COc1cccc(NC(=O)N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 556393380 PXUCXYBIICEUQD-UHFFFAOYSA-N 465.575 5.106 30 20 JKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588951774 GDQYLFMZWQIOOD-NXEZZACHSA-N 490.326 5.786 30 20 JKED CC(C)(C)c1noc2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc12 590388750 QZRFAVJASYIRMN-OAHLLOKOSA-N 471.369 6.441 30 20 JKED COc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 594664674 CKSGZPCIDJPWHW-HNNXBMFYSA-N 481.647 5.091 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 599795702 WQPJTPORIVPYEO-UHFFFAOYSA-N 479.924 5.420 30 20 JKED CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 603262729 CMHABXHVULALOU-UHFFFAOYSA-N 486.597 5.070 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccccc2Oc2ccccc2Cl)CC1 603653270 VQCBUEAZNVFCSY-UHFFFAOYSA-N 463.925 5.223 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cn2)c1 603693460 VOTXWHILMDVKQR-KBPBESRZSA-N 472.389 5.777 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 603738419 AYYUNUOVYBGCAS-UHFFFAOYSA-N 464.525 5.897 30 20 JKED Cc1ccccc1CN1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 603828346 UTNCOAVQWQQAIF-UHFFFAOYSA-N 468.601 5.380 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](OCC(F)(F)F)C2)cc1Cl 603829010 MPJIWGAZWXMDDJ-MJGOQNOKSA-N 451.876 5.571 30 20 JKED C=CCN(C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603947458 FYLNIBZPIZSZAC-OAHLLOKOSA-N 482.587 5.377 30 20 JKED Cc1nc(SCC(=O)N(Cc2cccnc2)c2ccc(Br)cc2)c(C#N)c(C)c1C 603989990 FDRFQHCYBBIYNP-UHFFFAOYSA-N 481.419 5.362 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cs2)cc1 604003856 LEQMFMXRXXYANG-UHFFFAOYSA-N 483.593 5.857 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cn2)C[C@H](C)O1 604090346 VRKZBHDXQRXVIK-ROUUACIJSA-N 491.979 5.334 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1Cl 604135486 OXUHMGVPHNNGLU-BVAGGSTKSA-N 480.955 5.235 30 20 JKED COc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C(F)(F)F)c1 608841704 UAQPAAWCMSPFPJ-UHFFFAOYSA-N 468.435 5.160 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3-c3ccc(Cl)cc3)cn2)c1 608864802 BXHCTTCFKNLIDP-UHFFFAOYSA-N 482.927 5.321 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc(OC)c1OC 609006983 ZXZFZLNPQGIEOT-OAHLLOKOSA-N 465.556 5.045 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1F)c1nccn1C 609078079 BJJKDABGPXMMHN-VWLOTQADSA-N 469.520 5.229 30 20 JKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104478 FYWMAEFAJBQTKH-UHFFFAOYSA-N 450.539 5.472 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4cccc(Oc5ccc(C#N)cc5)c4)nc(O)c23)C1 609176334 FHGKMSKLDPDSOK-MRXNPFEDSA-N 484.581 5.757 30 20 JKED Cc1ccc([C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2ccc(F)cc2Cl)cc1 609401724 VKFPVFCGBYAPSF-HSZRJFAPSA-N 493.970 5.146 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346777 QPDPUQBVYXRFLJ-QGZVFWFLSA-N 498.416 6.921 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F 613404135 NZPZTKLLIFQJOV-HNNXBMFYSA-N 478.459 5.370 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)nnc1-c1ccc(Cl)cc1 614803443 WVYKXNHMFSSFJP-UHFFFAOYSA-N 496.036 5.188 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)C[C@@H](C)O1 726077828 ZHNYCSDDAUYDNE-OYRHEFFESA-N 472.564 5.545 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@@H](CNC(=O)C(C)C)C2)c1=S 726181723 DZZKVVQFQWQITB-FQEVSTJZSA-N 469.699 5.006 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC2CCC2)c1 726413401 SVUNRPOKBOVHBS-OAQYLSRUSA-N 485.531 5.447 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cs1 726425994 NIRZFIHRCGSJDY-UHFFFAOYSA-N 457.481 5.781 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2ccc(C(CC)CC)cc2)c1 726574009 XJKJEQQCVNLTOC-UHFFFAOYSA-O 469.674 7.108 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)sc1-c1ccc(F)cc1 726733060 PFOUXAMXMKKNKB-OAQYLSRUSA-N 470.525 6.616 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 726754208 BZHACYUEEUSICY-UHFFFAOYSA-N 467.381 5.795 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3/CCc4sccc4C3=O)cc2OC)cc1 726894217 WMCRUBMVHCYPPA-JXAWBTAJSA-N 463.555 5.385 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccc(Cl)nc2)cc1 727160502 SMTPSSLQQLGPJS-UHFFFAOYSA-O 496.056 5.705 30 20 JKED C=CCOc1ccc(/C=C(\Cl)c2nc(=O)c3c(C)c(C(=O)OCCOC)sc3[nH]2)cc1Cl 727263475 DEXFLGKEYOVPDZ-PTNGSMBKSA-N 495.384 5.051 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 727589149 LCAULTFUKNTVIV-AHWVRZQESA-N 484.987 5.975 30 20 JKED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 728390953 PHZPKTGOCCEFFN-FIPFOOKPSA-N 468.601 5.097 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1cccs1)c1cccs1 728430172 OLIUQYOXFSAKFS-LRQVMVACSA-N 480.640 5.271 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(Cl)c2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729145041 HJPIMWQBODYMTQ-IFMALSPDSA-N 490.000 5.097 30 20 JKED COc1ccc2oc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4)n3)c(C)c2c1 729149262 CRQWZIROAUWFHI-POHAHGRESA-N 450.491 5.926 30 20 JKED CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 729319156 HZOVWXIECHGEAS-NRFANRHFSA-N 453.970 5.581 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)c1OC 729430004 PUIMCCYCBRTQJH-OAHLLOKOSA-N 450.545 5.113 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O)Nc1ccccc1F 730460303 XEMJWRQEWPXZAO-SFHVURJKSA-N 479.549 5.653 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O 730462462 YHBMXMIPMSEUSI-IBGZPJMESA-N 461.946 5.001 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(F)cc2)c(C)s1 730717837 SJVDOVAWLUCHRU-IFXJQAMLSA-N 483.594 5.016 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)cc1 730719687 HWCBTRFUZSZMDL-UZLBHIALSA-N 479.631 5.130 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCCc2c[nH]c3ccccc23)C1=O 730724480 NDLWITLTZVLOJN-XMMPIXPASA-N 470.598 5.022 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731304911 BZWLUASFMOITMY-IBGZPJMESA-N 486.018 5.576 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1 745626354 NMSSGYNAUZCUTJ-NTCAYCPXSA-N 479.536 5.460 30 20 JKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1NC(=O)OC(C)(C)C 746659570 KTRBJWWXWAIQIQ-UHFFFAOYSA-N 452.555 5.604 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)O)c2)cc1 746695744 POBDNZQTBUNGRO-UHFFFAOYSA-N 491.352 5.137 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O 799213619 XRDPRPRYYDJQRR-INIZCTEOSA-N 489.878 5.010 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1cccc2ccccc12 799218044 VBKXETRXDVAZHP-IBGZPJMESA-N 457.477 5.362 30 20 JKED CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1 814295301 SVUFYQUJEWUOSJ-AQTBWJFISA-N 463.506 5.341 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N[C@H](C#N)c2ccc(F)cc2)c1=S 818941454 VXMBXHXTAUOBBL-HXUWFJFHSA-N 471.989 5.445 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1C 837299834 OHNGNJZYBWOYFA-FDDCHVKYSA-N 476.577 5.559 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)cc1 837547509 MLHOZEVIMOPWAV-NTKDMRAZSA-N 488.613 5.592 30 20 JKED CCOc1cc([C@@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)ccc1O 840200677 RWPRVPAGMBJPLV-QHCPKHFHSA-N 466.534 5.258 30 20 JKED CSc1nc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2s1 878110885 NSTQIDQQJIAYFO-UHFFFAOYSA-N 490.635 5.873 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 915055434 NUDAIPFUDUEMMO-UHFFFAOYSA-N 475.508 5.533 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(C3CCCC3)C2=O)c(OC)c1 916207552 GRIKZJFPDSLHOH-HSZRJFAPSA-N 481.618 5.224 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2ccccn2)c1C 916208025 RHDCOKZFXDMSRK-QHCPKHFHSA-N 476.577 5.041 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 916208323 ZFCVYOBIRMMZDZ-LJQANCHMSA-N 479.524 5.011 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1 916215604 YBJKJMIBIRCKND-KRWDZBQOSA-N 467.900 5.505 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1Oc1ccccc1 916908089 LDTXXLHMDODGOF-SFHVURJKSA-N 472.526 5.261 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 916927763 MXAIRZZKPJAKIW-ZDUSSCGKSA-N 455.725 5.405 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916928989 ZWNDADUYHPUVAA-KRWDZBQOSA-N 488.400 5.137 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 916953329 BOLXHFJBQCNRAQ-YWZLYKJASA-N 451.473 5.413 30 20 JKED N#C[C@H](C(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995238 CRWQCJPKADHYAD-CQSZACIVSA-N 492.771 5.945 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1C 917041067 OSFUQEXXJSEQOD-KRWDZBQOSA-N 451.502 5.203 30 20 JKED Cc1ccc(-c2nnc(S)n2CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 917344920 WZCQYWPABQLOTB-UHFFFAOYSA-N 483.597 5.216 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2cccc(C)n2)C1=O 917658828 RIRNNGFNXLNQJF-HSZRJFAPSA-N 488.613 5.176 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 917665403 YUIDRIHLSNKATQ-JOCHJYFZSA-N 492.532 5.203 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3ccnc(C)n3)C2=O)cc1 917665815 LWUBFZXVSUGMEO-DEOSSOPVSA-N 487.629 5.377 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccsc2)cc1 917681961 SPBKHMUPTJHTKD-JOCHJYFZSA-N 479.627 5.480 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cc(Cl)cc(Cl)c2)s1 917695424 NCJLXOUYEIMUGQ-QGZVFWFLSA-N 468.431 5.164 30 20 JKED CCOc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(C)C)c2)cc1OC 917710975 ZTMBYIQJCBUIIP-XMMPIXPASA-N 495.645 5.018 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)COc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 917773075 NLVNWJADRUPYTO-OAHLLOKOSA-N 477.417 5.114 30 20 JKED C[C@H](Cc1ccccc1Cl)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918269609 PJVARJLJMFRYDE-OAHLLOKOSA-N 468.340 5.343 30 20 JKED Cc1csc(SCc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)n1 918659182 NKUYXYKBNIEMBH-UHFFFAOYSA-N 485.634 6.641 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2nc(-c3ccccc3)cs2)n(C2CCCCC2)c1C 919121389 BMOCJMGJMSDDIK-UHFFFAOYSA-N 462.575 5.401 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)cc1C 920172739 KKQRBEAAMAKPLK-QFIPXVFZSA-N 491.569 5.064 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 920177356 YYGKLNRFDGIHLZ-XDHUDOTRSA-N 488.588 5.431 30 20 JKED Cc1nn(-c2ccccc2)c(COC(=O)CCc2ncc(-c3ccccc3Br)o2)c1C#N 920590598 FRNZMBUEAJXFQL-UHFFFAOYSA-N 491.345 5.146 30 20 JKED CCCOCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 920914641 RUEXUUOBSPVNLX-VQHVLOKHSA-N 468.575 5.208 30 20 JKED C=C(Br)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(F)c1 920986312 YWTRLLMTNUFSNZ-GOSISDBHSA-N 494.361 5.142 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)cc2)cc1 921010802 JTIKOFTYQCBXHQ-MNDPQUGUSA-N 487.581 5.002 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccs5)on4)CCC3)cc2)cc1 1785882793 DRAPDTNBAUMNPX-UHFFFAOYSA-N 482.565 5.265 30 20 JKED CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1786258519 PKJLBJSUTSOKIM-FQEVSTJZSA-N 496.652 5.098 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(OC)cc4)CCC3)CCC2)cc1 1786366689 MOUGGEZQJBNHCH-UHFFFAOYSA-N 476.617 5.234 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788368219 ZVBYHHUOPZCPQS-UHFFFAOYSA-N 493.991 5.726 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1789024126 SFMSNXAPQXCXSG-UHFFFAOYSA-N 497.526 5.448 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)CCC1 1789687351 TYRQZPHVPKXHRE-UHFFFAOYSA-N 498.755 5.457 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccs5)on4)cc3)CCC2)c1 1789776589 ZPCALZSSBFJANB-UHFFFAOYSA-N 498.564 5.345 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3oc(C)nc3C)cc2)CCC1)c1ccccc1 1789791153 IRCOPLYOVRHYJC-XMMPIXPASA-N 455.558 5.236 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncccc5c4)CCC3)cc2)c1 1790073218 SEYHXTVGACJNPU-UHFFFAOYSA-N 476.536 5.177 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cnc5cccc(Cl)c5c4)CCC3)cc2)c1 1790148671 FNVUAQQLWMVMTA-UHFFFAOYSA-N 469.932 5.149 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCCC4(F)F)CCC3)cc2)c(C#N)c1 1790473103 TWHCRQBZXMKKLK-AREMUKBSSA-N 499.533 5.161 30 20 JKED CCOc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790766418 WLNHTETWEJKGHW-UHFFFAOYSA-N 474.948 5.067 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCCn3ccnc3C)CCC2)cc1)c1ccc(O)cc1 1791645861 SHONEGCMXYGEFB-DEOSSOPVSA-N 498.627 5.009 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1 1792328869 WWGHSVCNXSUOFV-QHCPKHFHSA-N 481.637 5.008 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)CC1 1792387558 GEDWJILXYOMADO-HHHXNRCGSA-N 496.652 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cccc(F)c3s2)c1 1797449726 SXZWKLATNUQPAS-HUJKARHJSA-N 461.562 5.233 30 20 JKED N#CCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1806289325 GRBHVTSRSJDWEH-OFSOJUDTSA-N 488.676 5.755 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)CC1 1808875374 COTHWMQZHUFWIE-RBJSKKJNSA-N 492.063 5.399 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1810501346 BKJFOLQIGWEFAD-HTAPYJJXSA-N 492.422 5.840 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1811305006 SGZRYAWMJKZKQF-JQXZYWDBSA-N 498.652 5.823 30 20 JKED CC(C)C1(C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CCC1 1811875024 DDDZUKFGKPKUIL-NZQKXSOJSA-N 498.549 5.118 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)[C@@H]2c2cccnc2)cc1 1811894434 XCZXFAYRDIJPCP-JYFHCDHNSA-N 499.014 5.048 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1812233930 DDICTZDPYNWTRF-NBGIEHNGSA-N 477.008 5.304 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812514929 GUPUDYZFVFWKAK-YMPZKCBVSA-N 489.994 5.392 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1 1812810183 ZEGDXBRXZVNVMF-AHKZPQOWSA-N 474.649 5.464 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@@H]1c1cccnc1 1813226020 AFFLAIGSWBLOHI-KBMIEXCESA-N 496.533 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1813966057 ZQKJBNHKAMEMHO-PGRDOPGGSA-N 491.529 5.552 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1)c1ccccc1 1814378076 GYXCTNLVOVXWNY-ILBGXUMGSA-N 469.589 5.100 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1814830447 ZJKOZIORLSWKCX-QHCPKHFHSA-N 498.587 5.620 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1815654908 ANKJUMXHMMGASE-QHCPKHFHSA-N 478.593 5.441 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(OC)cc2Cl)n[nH]1 1815697501 SCXRNJYZMXFIGD-UGKGYDQZSA-N 471.001 5.075 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C\c2c[nH]c3ccccc23)n[nH]1 1815786435 XATBHYSLOOOOKD-DJKHGBOQSA-N 457.578 5.365 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3nn2)n[nH]1 1817932909 HEVDLOFHYKJOGM-QFIPXVFZSA-N 478.984 5.081 30 20 JKED Cc1nc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)c2s1 1818538534 NAMWAMSTDTWXAA-HJPURHCSSA-N 498.612 5.575 30 20 JKED CC1=CC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CC1 1818807461 BQEIOMHEXGLWSU-UTKZUKDTSA-N 485.510 5.352 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1819307934 QSJLFGJXQIYCGV-PXNSSMCTSA-N 451.958 5.009 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1)c1ccccc1 1819521299 LDPRPRUZAIBDRC-CLHVYKLBSA-N 480.559 5.345 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3c(Cl)c2OC)n[nH]1 1820237618 PQFKRVIZHAJAPU-QFIPXVFZSA-N 493.007 5.724 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)n[nH]2)C1 1821007310 QBYROIPAJHOFOL-AOYPEHQESA-N 490.554 5.880 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)[nH]n2)c1 1821272663 MLUPBFZCLPYJBX-VGOFRKELSA-N 491.954 5.110 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)n[nH]1 1821338862 BPEWUUVLICLPGM-LJQANCHMSA-N 477.392 5.223 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)[nH]n2)CC1 1822105080 XVGOKWYVCNJQGS-YOSAUDMPSA-N 479.600 5.118 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2c[nH]c3ccc(F)cc23)n[nH]1 1822259055 QYAYPGTZZHKOJF-DEOSSOPVSA-N 477.584 5.423 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3)[nH]n2)cc1C#N 1823290564 GLNJKRAIBBFTBF-DEOSSOPVSA-N 485.588 5.007 30 20 JKED Cc1cc(F)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1823319109 WLPZEZCISSCJKZ-OAQYLSRUSA-N 465.916 5.002 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 1824051605 VHSJYDIBEHTQQH-RUZDIDTESA-N 481.999 5.217 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1824139141 GGRJBJAODSJQFB-MUUNZHRXSA-N 489.660 5.692 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)COCc2ccccc2)CC1)c1ccccc1 1826696465 DUKCQFDBMLHGDO-URLMMPGGSA-N 486.656 5.020 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826780456 IKTMMKFVPHNATG-VLYJIQRVSA-N 485.619 5.196 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)CC1 1828232297 LYAAZEJBQCTPPP-AHKZPQOWSA-N 459.634 5.545 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828350234 GKASCEIMOICRRJ-ZOGNMOHXSA-N 464.606 5.049 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1828821073 IJUZQUGGKRHEPX-BWWMBTDCSA-N 468.604 5.743 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COCc2ccc(C)c(C)c2)CC1 1828824446 KZQFCQBNIKYWIT-RRPNLBNLSA-N 466.666 5.208 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3ccoc3C2)CC1 1828904490 YGZPDANXRLOTHI-RPBOFIJWSA-N 482.741 5.055 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nscc23)CC1 1828907044 STVMWHWXFSTSON-VWLOTQADSA-N 495.765 5.581 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C)n2)CC1)c1ccccc1 1829030720 XBUNRYDREMISTE-LBBURDNXSA-N 483.656 5.220 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)n(C)c2C)CC1)c1ccccc1 1829033690 ZIEBHVROHWGZFD-IXCJQBJRSA-N 473.661 5.072 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)cc2Cl)CC1 1829657403 OODWWOLYLGRNFK-QFIPXVFZSA-N 498.973 5.318 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3F)CC2)c1Cl 1829889351 ZFWAXHRYRGZNMH-OAQYLSRUSA-N 471.935 5.037 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1829937307 DIYCWNUFYDEUES-QHCPKHFHSA-N 469.507 5.124 30 20 JKED Cc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C#N)c2)CC1 1829943931 KNUPUEPSIPOBSP-XMMPIXPASA-N 494.433 5.176 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829952327 KAXYXCABTJMESC-MUUNZHRXSA-N 492.623 5.476 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830109204 GUOHMBYQRIXIFE-ZBLYBZFDSA-N 473.617 5.259 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)ccc1F 1830362099 MDPYPZIKJJDUAP-HHHXNRCGSA-N 473.592 5.051 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830631093 XHIKQXVWEVHELK-SANMLTNESA-N 496.611 5.263 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1C 1830720907 MNLBCFQJLJLHOM-VWLOTQADSA-N 494.035 5.005 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c1 1830770795 JWULIAILOLIIMT-AMGIVPHBSA-N 457.618 5.294 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060746 SAVVBHLHLXWSMH-JTSKRJEESA-N 450.604 5.138 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1831442264 QHOGYVZXWQUZIY-DYESRHJHSA-N 452.973 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1832630001 WWLLQIIJUIJGCH-MDPVMDPHSA-N 487.619 5.490 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F 1832707737 IXUAFIYBBQLKES-GOSISDBHSA-N 480.424 5.196 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 1845345292 BLOYYLNGKZKJMT-UHFFFAOYSA-N 492.366 5.133 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174069 BYDBGTZZJSDWJY-UHFFFAOYSA-O 490.483 5.394 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 10836431 RDZHBBSIAAIQNR-UHFFFAOYSA-O 487.215 6.344 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Cl)cc1Cl)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 10836598 VGOBBRUUUMQHHV-UHFFFAOYSA-O 492.398 6.489 30 20 JKED CCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccccc1SCC#N 10945173 YRHPHKQMTXPOJF-UHFFFAOYSA-N 454.777 5.167 30 20 JKED C[C@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(=O)Nc1ccccc1C#N 11070006 QFOYAEMMUWWQOJ-HNNXBMFYSA-N 478.643 5.443 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2cccc(C)c2)cc1 11253273 BOOHEALZFSWJKP-UHFFFAOYSA-O 453.609 5.188 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cs1)c1ccc(F)cc1F 15187992 VBSIJAYKMBPKQP-WYMLVPIESA-N 460.505 6.669 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCCC3 16207769 UVZZVGSQOSHJGM-LLVKDONJSA-N 495.457 5.344 30 20 JKED COc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)ccc1OCC(=O)Nc1ccccc1Cl 16408067 ZORKNZMYHGKOCQ-ZRDIBKRKSA-N 478.932 5.221 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)n(Cc2ccccc2)c1C 16580655 JCONYLIEHFMQEQ-UHFFFAOYSA-N 468.557 5.011 30 20 JKED C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1)C(=O)NC1(C#N)CCCCC1 22137476 RHVBFEHVQMXRAF-IBGZPJMESA-N 491.661 5.707 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)COc3ccc(Oc4ccccc4)cc3)n2)C[C@H](C)O1 22305417 LXEKBLMKDHUADZ-ROUUACIJSA-N 453.564 5.212 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1C 22735474 HFBHSESDQURERL-UHFFFAOYSA-O 459.679 5.968 30 20 JKED C=CCN(C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc(-c2ccccc2)cs1 23152815 KXDVOYWVKJJQBQ-UHFFFAOYSA-N 455.465 5.242 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)cc1 25838642 AKOSFFJTDLSYKX-UHFFFAOYSA-N 489.551 5.744 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1NC(=O)c1ccc(Br)cc1 32163992 UBCFWSGFFWPTLU-UHFFFAOYSA-N 476.374 6.063 30 20 JKED C=CCn1c(SCc2cc(Cl)ccc2OCc2cccnc2)nc2sccc2c1=O 59256453 SLGBDZYUJDYNQN-UHFFFAOYSA-N 455.992 5.564 30 20 JKED C=CCn1c(SCc2nnc(C(C)(C)C)o2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 71877986 SMFKTYRHJQVLFO-UHFFFAOYSA-N 496.640 6.628 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1ccccc1F 195568912 LPABOVLOZFLOLD-DEOSSOPVSA-N 488.588 6.141 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Br)cc1 195629998 HOVOVKXCUIVYEG-QFIPXVFZSA-N 478.346 5.319 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)nc2C)n[nH]c1=S 303320208 HPNUENYDLAQXRI-UHFFFAOYSA-N 485.598 5.421 30 20 JKED Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1NS(=O)(=O)c1ccccc1 478462191 WGBAZGUVATUWCC-UHFFFAOYSA-N 497.576 5.499 30 20 JKED Cc1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1c(Cl)cccc1Cl 481878191 BORNEZVZEQQERW-NSHDSACASA-N 490.322 5.774 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 487416065 AXFLUQLBTNZUPT-UHFFFAOYSA-N 464.547 5.341 30 20 JKED CCCNC(=O)c1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 502122200 IEQQDMKSQZNIAC-QHCPKHFHSA-N 460.965 5.457 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1 502572380 UKNBXHWGZGZZMF-UHFFFAOYSA-N 492.988 5.364 30 20 JKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 503158860 NVZFOKRGTPUCIE-HSZRJFAPSA-N 460.965 6.056 30 20 JKED Cc1nc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)sc1SCC#N 504685268 SBRCKSLIFHMWLL-UHFFFAOYSA-N 468.654 6.100 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1F 510873963 WIUVBTRRNYUBKG-UHFFFAOYSA-N 474.536 5.156 30 20 JKED CN(C(=O)c1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Cl)C1CCCCC1 511114429 IIZPFTNQKWBZNS-UHFFFAOYSA-N 459.377 5.320 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 512139273 KVWOLMCFNMWVIK-NRFANRHFSA-N 479.540 5.026 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 512856585 NVBYYQOPHUSYQA-DEOSSOPVSA-N 489.959 5.564 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 515274264 MODOQOAVONJDCP-QFIPXVFZSA-N 462.937 5.159 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c2ccccc12 517454715 FWWQMPIDZKERMF-LJQANCHMSA-N 487.625 5.591 30 20 JKED C=CCN(C(=O)c1sc(COc2ccc(Cl)cc2)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 517511107 QNSIMSCCQANQIS-QGZVFWFLSA-N 495.008 5.049 30 20 JKED Cc1nc(CCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)oc1-c1ccc(Br)cc1 518207300 DZLYFTLFVHSPFG-KRWDZBQOSA-N 493.188 6.033 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(O)c2c(-c3ccco3)csc2n1 520833797 KSVYYFTXDNFKRR-CQSZACIVSA-N 496.639 5.923 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)c1 520937477 AWOSQUWXIRSFGC-UHFFFAOYSA-N 454.555 6.372 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 521093671 WVQYPPYWTFNFNC-UHFFFAOYSA-N 494.573 5.030 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)c2)cc1 521431785 UBOBNPSOAICJGL-CLJLJLNGSA-N 459.521 5.513 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)cc1C 521730748 UVHXGZBKMFTLAG-UHFFFAOYSA-N 479.540 5.166 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1 522344795 QGAXRPQRXKIQFP-UHFFFAOYSA-N 498.602 5.033 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 523248206 NUQQQMWFORPACH-FQEVSTJZSA-N 492.535 5.662 30 20 JKED N#CCCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 523793941 IJUYFPVYLUDUMO-UHFFFAOYSA-N 470.934 5.012 30 20 JKED COc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC1CCCC1 523869688 AKLRHZLADXIVIN-UHFFFAOYSA-N 487.575 5.939 30 20 JKED CCc1cccc2c1OCC[C@H]2NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523966753 IGHRDQBWDNOOIA-LADGPHEKSA-N 473.960 5.136 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)s2)cc1 524327823 GHWZNSULYDRVDZ-HUUCEWRRSA-N 461.399 5.751 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(OCC(F)(F)F)c2C)cc1C 524359737 JZZYMQVJAAMPGX-UHFFFAOYSA-N 456.468 5.582 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 561161345 ULZWPLCXLSGRPJ-INIZCTEOSA-N 455.543 5.319 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 590233622 DIVCRJYGYRRTCP-UHFFFAOYSA-N 462.365 5.354 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccccc1CS(=O)(=O)c1ccccc1 595194266 GQWYABPCJDYOID-UHFFFAOYSA-N 457.576 5.374 30 20 JKED CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603757261 JZSGSDCUDJYPOK-SFHVURJKSA-N 492.548 5.079 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c12 603763845 IOBPNXAALLSWOQ-UHFFFAOYSA-N 460.497 5.255 30 20 JKED N#C[C@@H](C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838666 FGJVUDALYYHQDW-AWEZNQCLSA-N 457.298 5.996 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc(-c3ccco3)nc21 603992014 MJIWFYYKTVHFLB-UHFFFAOYSA-N 479.565 6.223 30 20 JKED C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)C[C@@H](C)O1 604022226 NFDQTZVHPKNGSA-RTBURBONSA-N 471.582 5.211 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3coc(-c4cccs4)n3)cc2Cl)cc1 604088243 OKTIFEPLLIVESW-UHFFFAOYSA-N 450.907 6.042 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1Cl 604168753 QXMQEIZGWCABCF-NRFANRHFSA-N 468.944 5.000 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3oc4ccccc4c3CSCc3ccccc3)CC2)nc1 604197116 QQWFUUIMZURJNZ-UHFFFAOYSA-N 468.582 5.095 30 20 JKED Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)cc1 604241717 JROBQXIGEPJNJX-UHFFFAOYSA-N 484.537 5.107 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 609088534 DCJVEZQIPGPTBR-SFHVURJKSA-N 495.501 5.623 30 20 JKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 609123719 LSQVGUSYEBRBRX-FQEVSTJZSA-N 484.575 5.724 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1Cl 609163867 BDQCIDOKWZSMQZ-VQTJNVASSA-N 465.887 5.265 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(OCc4cccc(F)c4)cc3)CC2)c1 609211822 HACDYINGMGODQJ-UHFFFAOYSA-N 459.521 5.029 30 20 JKED N#CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2c(F)cccc2Cl)CC3)CC1 609328287 ICDHWSHGHGOQRS-MSUUIHNZSA-N 474.967 5.232 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 609382770 SOAFOKQTILBEOJ-CQSZACIVSA-N 492.047 5.706 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2nc3ccccc3s2)CC1 609438005 VHDIGORSYCTEKH-MRXNPFEDSA-N 464.616 5.035 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)N2CCCCC2)cc1 609438527 JCKBEIVERKZMOS-XXBNENTESA-N 452.624 5.438 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)sc2nc3n(c(=O)c12)CCCCC3 613403770 SIAPDHWAMZCRPW-ZDUSSCGKSA-N 468.991 5.246 30 20 JKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2cnn(C(C)C)c2n1 613404016 MVNKUMZKUCZTOT-HNNXBMFYSA-N 471.508 6.254 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2OC)c1 614926136 KULGQNCZINCMSX-UHFFFAOYSA-N 470.978 5.007 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 622639328 WXIFPYQPNCXKJZ-UHFFFAOYSA-N 476.364 6.219 30 20 JKED O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642663142 NYKJXPPLVQWJII-SHFYGJNESA-N 468.438 6.185 30 20 JKED N#CCCn1cc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)c2ccccc21 684805064 KZBYECLHGMWEKL-UHFFFAOYSA-N 489.560 5.101 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 725846202 WQHBEDRQOBUOGE-UHFFFAOYSA-N 495.612 5.399 30 20 JKED O=c1c2ccccc2nc(S)n1N=Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 725860268 ZFFWMYITGPGIJR-UHFFFAOYSA-N 471.973 5.133 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 726395766 BESCTQCIUAXZTJ-YJYMSZOUSA-N 498.407 5.518 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Cl)s2)cc1 726571158 FLPQMFKQQVDKJE-UHFFFAOYSA-O 473.043 5.493 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCC3)cc1 726571360 VDLACNUKESKWDZ-UHFFFAOYSA-O 475.037 6.264 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 727058092 GBJNVNDGFFUNJT-UHFFFAOYSA-N 465.966 5.081 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1c(F)cccc1F 727626903 IPCPKBXVDGOCNI-KBXCAEBGSA-N 494.350 5.839 30 20 JKED CCN(C(C)=O)c1nc(/C=C\C(=O)c2sc(-c3ccc(Br)cc3)nc2C)cs1 727780300 KBZCFRJBTCNJIT-KTKRTIGZSA-N 476.421 5.606 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1Cl 727895145 DOZROYOPMRBBAO-UHFFFAOYSA-N 490.878 5.227 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CCCCC#N)C2=O)cc1 728778561 TUSKBDFVTUSCQW-HSZRJFAPSA-N 478.618 5.436 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCCCC#N)c1 728780813 ZZMPGIVCCCGUCD-FQEVSTJZSA-N 499.423 5.629 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(CCC#N)CCC(C)C)ccc1Cl 728871041 FWRQCODTWUWXLV-UHFFFAOYSA-N 492.016 5.262 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2c(C)noc2C)c1 730444260 KQWBAMMRECBNBO-QFIPXVFZSA-N 498.555 5.081 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2C2CCC2)cc1 730460841 HADVBUHGDAKXSX-LJQANCHMSA-N 472.954 5.069 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cocn1)c1cccs1 730729434 MGGMCCBWEUVUJR-ZRGIPMBISA-N 490.610 5.479 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1C 731014673 FECFMHJGXUHWLN-UHFFFAOYSA-N 455.606 5.247 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CC2CCC2)C1=O)Nc1cccc(O)c1 731304031 FUSJGJSGCSEXES-IBGZPJMESA-N 477.508 5.171 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)s1 731308087 WQBQNRRKJUSVSL-HXUWFJFHSA-N 469.563 5.062 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731312001 HFACAYWTHWSFDO-DEOSSOPVSA-N 491.613 5.322 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CCCCOCc2ccccc2)C1=O 747602183 JUDJKLXSWCMSCQ-HXUWFJFHSA-N 494.444 5.058 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C1=O 750916723 OTUSDMIOLPLFMC-VHSSKADRSA-N 499.917 5.122 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 818226857 ZDPPUENKPALAFI-UHFFFAOYSA-N 472.551 5.952 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O)Nc1ccc(F)c(Cl)c1 837300601 ILNHNWSNRIGHEI-FQEVSTJZSA-N 486.931 5.174 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 837781451 ZWUACKVXYOTSAX-IQGLISFBSA-N 498.583 6.095 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 838190177 KEJAANARGUVYLM-WZONZLPQSA-N 458.587 5.366 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 838298361 JZHLQVUXXOWGAT-WAIKUNEKSA-N 494.567 5.644 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cc(Cl)cc(Cl)c1 914553767 IQDNUYUJIBDTLT-MRXNPFEDSA-N 468.431 5.164 30 20 JKED N#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1 915714407 CSQVJMPMJYKJJU-UHFFFAOYSA-N 456.399 5.290 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC(F)F)cc1 916211349 MQKURMSTKJJTLK-GOSISDBHSA-N 465.497 5.188 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccccn2)C1=O 916215511 HPYVYNVZENKACG-QFIPXVFZSA-N 495.004 5.213 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CCc2ccccn2)C1=O)Nc1ccccc1 916217544 PDLRPLAJKMYERT-NRFANRHFSA-N 498.530 5.303 30 20 JKED COc1cc(C=NN(Cc2ccccc2)Cc2ccccc2)ccc1OC(=O)c1ccncc1 916367800 PENGRTCKKBBHOL-UHFFFAOYSA-N 451.526 5.346 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)[C@H]1c1ccccc1OC 916849601 YFWRVNPJSCFDGO-OREGWCPLSA-N 455.558 5.200 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc(OC)c1OCc1ccccc1 916918995 SZFRYJZFCXTXPX-QHCPKHFHSA-N 480.520 5.397 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)n2)cc1 916975023 VAIPJJIHLVSRIP-MAUKXSAKSA-N 488.638 5.763 30 20 JKED N#C[C@@H](C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3)c1nc(-c2ccccc2)cs1 917025243 IZTVURLLFNHOHE-INIZCTEOSA-N 492.651 5.509 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1 917045039 XDQMZWPPUKPAGY-SFHVURJKSA-N 492.482 6.032 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2cc(Cl)ccc2s1 917046218 HVBYVMLGKJZESJ-QUCCMNQESA-N 494.403 6.341 30 20 JKED CCOc1cc(C=Nn2c(C)nc3sccc3c2=O)ccc1OCc1c(F)cccc1Cl 917580823 UAQWLGRPOWNANB-UHFFFAOYSA-N 471.941 5.419 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 917682991 OOKOORHGVAZOHJ-LJQANCHMSA-N 479.524 5.011 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccsc2)cc1 917685330 YGYKGJGNVNUPFZ-HXUWFJFHSA-N 487.553 5.195 30 20 JKED N#Cc1cc(S(=O)(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)ccc1Cl 917872958 SGPORFSVDXZCOB-UHFFFAOYSA-N 450.781 5.504 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(Cc2ccc(C)s2)C(C)C)c1=S 920083706 FAPLKSPMQAUEGC-NRFANRHFSA-N 456.637 5.351 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140817 JXMNXEFMTWWWFE-QFIPXVFZSA-N 476.565 5.304 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 920198066 DJLNBIDAMKJHFS-HOYKHHGWSA-N 480.593 5.590 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)cc1 920518934 XOBXNTVQAHUIPO-UHFFFAOYSA-N 476.476 5.768 30 20 JKED COc1ccccc1-c1ccc(CN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)C(C)C)cc1 1361100917 XBHCSEBHOVRQGN-UHFFFAOYSA-N 457.574 5.321 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(c3ccc(Cl)cc3)CCCCC1)CCO2 1778885255 ILINMVOACNXOEB-RPLLCQBOSA-N 485.068 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(Br)cc(C(C)C)c3)CCO2)C1 1779243737 ARHUDTNHQJZGTJ-RUZDIDTESA-N 491.470 5.008 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C[C@@H]21 1784039914 XSTZRYMQFXNPHT-KNBMTAEXSA-N 485.839 5.009 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)COc3c(Cl)cc(Cl)cc3Cl)CCC2)cc1 1787644454 DFSQVRQEXFMWBZ-UHFFFAOYSA-N 466.752 5.073 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)CCC2)cc1 1787885679 AELKWDHTPOKXNI-UHFFFAOYSA-N 460.484 5.078 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)cc(Cl)c4n3)CCC2)cc1 1787886578 IYMYROHERQDVPS-UHFFFAOYSA-N 489.885 5.058 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)cc2)CCC1 1788375631 GYLZQFCLZWZVDP-UHFFFAOYSA-N 492.501 5.819 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(-c4ccccc4)n4ccccc34)[C@H]2C1 1789138156 KFSXAZHCZOZCCZ-AGJHTDJMSA-N 499.655 5.192 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1789449073 KXWVJWZYVMORSU-HSZRJFAPSA-N 483.653 5.534 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1 1789507704 NIGNNVILRGBOMT-UHFFFAOYSA-N 450.655 5.397 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1789513117 OWBBOBZHYIVSEY-CVWXOJMRSA-N 470.573 5.052 30 20 JKED Cc1cccc(C)c1SCC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1 1789647083 CYJALEDOHMBWHN-UHFFFAOYSA-N 458.587 5.043 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cnc4Cl)cc3)CCC2)c1 1789718534 LGIOQZCDQOEDCU-UHFFFAOYSA-N 462.912 5.116 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC)cc4Cl)CCC3)cc2)c1 1790076356 IGQVXOIQFDRDEG-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4noc5ccccc45)CCC3)cc2)c1Cl 1790081588 BYYABVNUWNJWTP-UHFFFAOYSA-N 484.943 5.343 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ncccc4C(F)(F)F)CCC3)cc2)ccc1F 1790521359 ZHPBBZPIBNUZCA-UHFFFAOYSA-N 496.464 5.102 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc(F)c(Br)cc3F)cc2)CCC1 1790653831 UHVPPSWETOLHFI-UHFFFAOYSA-N 476.321 5.025 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)c1 1790836990 IMLLHYIEFSHBSM-SFHVURJKSA-N 488.551 5.123 30 20 JKED COc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c1 1791387678 CJHNGLDRMSFAMJ-NTEUORMPSA-N 451.526 5.028 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)CCC2)cc1 1791729033 NMVKPLQYWGEFTH-UHFFFAOYSA-N 482.506 5.294 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)N4CSCSC4)CCC3)cc2)c1 1792124670 CTURCUZIUTWVEX-MOPGFXCFSA-N 494.686 5.104 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ncccc5[nH]4)CCC3)cc2)cc1C#N 1792168958 RRCVFPKRWDEBLS-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1cccc(Br)c1)C2 1793046784 STKZIUUQUPGBEE-KOUNCHBCSA-N 489.454 5.015 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCOc2ccc(Cl)cc2)c1 1794106657 RCJGRMSBYRSJRO-ABQRKTDGSA-N 480.008 5.078 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3nc(C)sc13)C2)c1ccccc1 1798554525 QEJWESAQWORSTM-KAOXLYBCSA-N 471.626 5.054 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccccc4)n4ccccc24)C3)c1 1799603223 RSNHOLXVPVCBIL-QEIWAGNOSA-N 474.564 5.044 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1800348651 SVFWWGRPEZRPNH-QEIWAGNOSA-N 465.553 5.111 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)cc2Cl)c(Cl)c1 1800417773 GUCBGUUJTBYSOY-MUJYYYPQSA-N 496.316 5.449 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2CSc2ccccc2)C3)c1 1800685993 CKMKJASBIZUALY-NUNAXRQHSA-N 499.611 5.555 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cc4cccc(F)c4)cc3)[C@@H]2c2cccnc2)C1 1802418321 RHOWCENMBCFJQU-LBNVMWSVSA-N 483.587 5.097 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)ccc3s1)C2 1802630462 ICLNEJRTZWOOIO-REPLKXPHSA-N 473.436 5.109 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)c(F)c2)C3)c1 1803683832 AMZSMLCQQBEEDF-PPRPKMEESA-N 473.470 5.037 30 20 JKED C[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC#N)cc3)CC2)C1)c1ccc(Cl)cc1 1805198053 GSDNWKUIJFSYRB-HXUWFJFHSA-N 464.009 5.055 30 20 JKED Cc1ccoc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1808500525 SDEVXTYENSMRLF-NSOVKSMOSA-N 489.575 5.016 30 20 JKED CC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1)c1ccccc1 1809018132 XEYDVJRUAUCLIN-QFIPXVFZSA-N 464.009 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)[C@@H]1c1cccnc1 1810503690 UZPPHZZFUBILJZ-AOYPEHQESA-N 475.633 5.182 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 1810962361 JYJJGGOSLRWBNH-WJPUGNRLSA-N 479.930 5.286 30 20 JKED Cc1occc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811251092 HCPIUCYLXCXLRQ-YTMVLYRLSA-N 489.575 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1811695430 QJDCBVMXSVTSGH-XMSQKQJNSA-N 488.415 5.182 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c1 1813864329 ZFIBVRAWWUHSCK-SAQVGAHLSA-N 490.966 5.135 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cc4cccc(F)c4)cc3)[C@@H]2c2cccnc2)C1 1813992937 RZEBQPURJPPGES-LSYYVWMOSA-N 483.587 5.097 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3c(Cl)cccn23)[nH]n1 1814442695 WYKNGFNOZIRHAU-SFHVURJKSA-N 468.989 5.009 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)CC1 1814498823 AXTAPJNQMGQHLU-HSZRJFAPSA-N 461.610 5.123 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c1 1814583547 NEQVHKRWAPSESM-IVZQSRNASA-N 479.943 5.449 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)n[nH]2)c(Cl)c1 1814721238 XJOVBOSXLDIOGQ-TXTKFYIRSA-N 491.954 5.183 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)Sc3ccccc3)n[nH]2)c1 1815096489 PKVTYCJBIOHLTF-JPYJTQIMSA-N 473.602 5.077 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)cc2c1 1818564000 HYVOUKAHQSWUIL-GLCJEOIMSA-N 487.585 5.006 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1)c1ccccc1 1818644711 OKEACWXKTOAHJW-VPUSJEBWSA-N 491.595 5.461 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4c(c3)CCCC4=O)n[nH]2)c1 1818692422 GRMLPEPIJKCIHI-IQGLISFBSA-N 495.583 5.175 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818773475 VMOUFAFTUKRCBM-INIZCTEOSA-N 455.971 5.133 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1819308144 WXPJKAUARYNPLA-REWPJTCUSA-N 497.599 6.225 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c1 1821125060 WMLKMACCHMVIBI-YCRPNKLZSA-N 479.943 5.449 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1821147706 ILECQRGZOQCORX-HSZRJFAPSA-N 471.561 5.078 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1 1821790678 QSLOBZJUKJCMMM-LJQANCHMSA-N 481.449 5.261 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1)C(F)(F)F 1821994287 DMQAUGFLLXLZSS-OAHLLOKOSA-N 494.823 5.506 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)CC1 1822103738 AFAMCZZBMCEZOI-HFMPRLQTSA-N 461.610 5.244 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[nH]n1 1822384166 PTKPRGKYGZVURQ-PNDGYVOYSA-N 484.572 5.232 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccs2)[nH]n1)c1ccc(O)cc1 1822468218 KUAJGGPKNQPHAS-BHUMTYHRSA-N 488.613 5.080 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@@H]3OCCc4ccccc43)[nH]n2)c1 1823211666 OPVBOYNZGZRJGH-PBXQCXKZSA-N 497.599 5.047 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823216041 NIHNPUPKZQYBLK-OPAMFIHVSA-N 491.979 5.318 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1823916964 IMKVOKJFXMQXEE-NELJVSICSA-N 485.049 5.382 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccs2)CC1 1825312223 JPPGEJRLWXSSJZ-DEOSSOPVSA-N 472.771 5.352 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1826321192 OOUOOTYMIJSKJP-AOYPEHQESA-N 465.544 5.032 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1827715521 WROQIXFEVNSHLX-VWLOTQADSA-N 482.584 5.069 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)oc2ccccc12 1828129768 ZOOYOFYUHMWQDZ-RXFWQSSRSA-N 483.612 5.915 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1828219599 JYGAGHWWKPZEQS-DEOSSOPVSA-N 489.547 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c(OC)c(C)c2)CC1 1828827833 WEPGGVBNUKCEKA-JWQCQUIFSA-N 452.639 5.314 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(NC(=O)OC)c2)CC1 1829068784 QFOVNRYLTXIAHX-HSZRJFAPSA-N 469.626 5.091 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829454121 GHDLUNMXWNGMRO-SFHVURJKSA-N 455.451 5.482 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1829708270 YOJQOHKAOVZCSN-DEOSSOPVSA-N 480.008 5.066 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1)c1ccc(Cl)cc1 1829774203 NZMAHAFDEJKSFM-DQEYMECFSA-N 481.040 5.213 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829908352 XEEKEJJONLIZEN-XXBNENTESA-N 452.620 5.031 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2)CC1)NC(=O)OC(C)(C)C 1830003800 DREAVVDLLFFEQQ-LOSJGSFVSA-N 497.680 5.088 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(F)(F)F)cc2)CC1 1830499697 HRLVZVDXVBXSNL-IBGZPJMESA-N 474.470 5.030 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCc3ccccc3F)CC2)cc1 1830629181 YFEPYVRIRPPAQL-MHZLTWQESA-N 475.608 5.148 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)c3ccccc3)CC2)c(Cl)c1 1830720984 QZEPVFACVHYFSD-BJKOFHAPSA-N 467.972 5.156 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c(Cl)c1 1830722213 FDBNZZCCCINENH-QHCPKHFHSA-N 470.400 5.412 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978964 ZKRVEFMABVFQHW-XMMPIXPASA-N 491.657 5.580 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831060337 SIKMTPUBTYWZIJ-JOCHJYFZSA-N 499.633 5.026 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1831375298 SRBQNAACPWMBEW-DVECYGJZSA-N 474.605 5.268 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1831447390 LJDPXUAJFBZQTB-QGZVFWFLSA-N 460.899 5.063 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1)C(F)(F)F 1831450257 KKALQARSXOXEMS-JOCHJYFZSA-N 477.502 5.173 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1831562885 YFAITATTYGDHRL-CHZKFRDHSA-N 489.664 5.274 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1831843008 TYBBKACCWAWTPA-HYBUGGRVSA-N 475.658 5.158 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1F 1832629125 JVWDHVDYWMMTJN-CPJSRVTESA-N 461.581 5.308 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1C#N 1832704919 ZBWZKYYDNAUAAL-RUZDIDTESA-N 495.570 5.171 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1832827360 BQQALPYNDIYXPA-LJAQVGFWSA-N 479.624 5.549 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)CC1 1836697762 VIGGISKMNWVXIW-UHFFFAOYSA-N 496.545 5.225 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1841609967 GOWUODFLGHLCHW-GOSISDBHSA-N 478.555 5.161 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2sc3c(c2c1=O)CCCCC3 9195028 PPCPEYBUXWPDSV-AWEZNQCLSA-N 464.616 5.003 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 10178780 JCLYPNXVBQERNK-UHFFFAOYSA-O 459.969 6.136 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)c1C 10179261 JQMODEXMNYMPFL-UHFFFAOYSA-O 477.393 5.063 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@H](O)COc2ccc(CC#N)cc2)c(C)c1 15237975 QTIUYMRLTUBYDB-XMMPIXPASA-N 484.625 5.073 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2sc(-c3ccccc3)c(C)c2c1=O 17131690 NSGPCPQJJSOZDA-UHFFFAOYSA-N 475.639 5.967 30 20 JKED Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)c1 17229657 UIXJJLWKSFBFGW-UHFFFAOYSA-N 465.600 5.045 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccc(Br)cc1 20831176 JHZDHFTUQZWDBH-HXUWFJFHSA-N 483.435 5.180 30 20 JKED Cn1c(SCC(=O)Nc2ccccc2SCC#N)nc2scc(-c3ccccc3)c2c1=O 22150532 IJYRJVLSEAWLFJ-UHFFFAOYSA-N 478.624 5.008 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1 28513398 ZMWNWIZBYHNUJT-UHFFFAOYSA-N 457.559 5.186 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)nnc1-c1ccco1 29549332 AFLQDNODDHLXEO-MRXNPFEDSA-N 481.628 5.317 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 117065561 GDDHEDUHRTUATK-UHFFFAOYSA-N 459.571 5.039 30 20 JKED C=CCn1c(SCc2ccc(S(=O)(=O)C(F)F)cc2)nnc1-c1ccc(Cl)cc1 216866757 JBBJTQOMXPXTKU-UHFFFAOYSA-N 455.939 5.073 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1oc2ccccc2c1CSc1cccs1 303270336 HECYJSALJPZHDZ-INIZCTEOSA-N 464.637 7.291 30 20 JKED COCCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1ccccc1 487250529 KVOJXKMMMXFFMW-CYFREDJKSA-N 475.976 5.170 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3cnco3)c2)nnc1-c1ccc(Cl)cc1Cl 488979584 YEHILMXHYFGXEV-UHFFFAOYSA-N 486.384 5.824 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)c2)c1 498018462 PYWSKWXMIIEDEU-VWLOTQADSA-N 472.520 5.163 30 20 JKED C=CCN(C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc(C(=O)OCC)cs1 501953262 XWJSLCAEKMUYIK-UHFFFAOYSA-N 477.561 5.759 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 502676849 BOSDZIFKULXXJD-UHFFFAOYSA-N 496.808 5.848 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)[C@H](C#N)c4nc5ccccc5[nH]4)sc3[nH]2)c1 503573931 UPXFKGBXALFGOW-INIZCTEOSA-N 499.621 5.569 30 20 JKED C[C@@H](CC#N)N(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 505155244 RUMLYTPFBRAYIA-HNNXBMFYSA-N 474.417 5.153 30 20 JKED CCN(Cc1c(F)cccc1F)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 505904251 OANXHDBWVZGZEQ-UHFFFAOYSA-N 465.525 5.230 30 20 JKED O=C(Nc1cccc(F)c1)C1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 508232634 HPVZGHBTKVYQTL-UHFFFAOYSA-N 477.380 5.746 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 509959039 VKWZSOCKRREVJG-GOSISDBHSA-N 477.586 5.980 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CCOCC2)cc1 510645534 MTCZFGVXYLZVAB-VWLOTQADSA-N 490.003 5.874 30 20 JKED Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(Br)c1 515159517 JTRHBMQEOWTQOJ-ZDUSSCGKSA-N 489.420 5.179 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccc(N2CCc3ccccc32)cc1 515445034 DIZQNDDRAHAVJD-UHFFFAOYSA-N 461.525 5.490 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nnn(-c4cccc(Br)c4)c3C)n2)cc1 516074200 LXOBRCBRDNSOAO-GOSISDBHSA-N 478.375 5.260 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)nc4cc(Br)ccc34)n2)cc1 516270138 NJOYTDSDOXIPPY-IBGZPJMESA-N 478.371 5.928 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H](C)c1ccc(F)cc1 516439315 JIXHZBPYUCGJPR-MRXNPFEDSA-N 465.912 5.691 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(Sc2ncccn2)cc1C 517104731 XJQPKTRNXQMYRG-UHFFFAOYSA-N 487.398 6.058 30 20 JKED C=CCN(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2c(s1)CCCC2 517400863 CNEDMVYSAKYHKJ-UHFFFAOYSA-N 451.539 5.802 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517902708 KOXHAIZOROXDGS-UHFFFAOYSA-N 450.489 5.224 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2cccs2)cc1 518159007 JHLLIHGZIPSZGA-QHCPKHFHSA-N 463.628 5.722 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-])c1ccccn1 518507523 BCBOYANTDJTQER-XJKSGUPXSA-N 455.396 5.067 30 20 JKED Cc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1NC(=O)c1ccccc1F 518871122 WLTAWUPHORZTHD-QGZVFWFLSA-N 491.494 6.278 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCOc3c(Cl)cccc32)c1 521200356 FQLQWTSORJTWPH-NRFANRHFSA-N 477.973 5.196 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 521267509 YPQZQTYLELOOTA-UHFFFAOYSA-N 460.386 6.005 30 20 JKED C=CCc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc(OC)c1OC 523598667 WLBBVRGBGNOCKJ-UHFFFAOYSA-N 473.548 5.355 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524249846 IVCWVDXJDAUMOX-UHFFFAOYSA-N 487.943 6.227 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c2)cc1 589323650 WADWWUGKSMUFEI-UHFFFAOYSA-N 456.542 5.698 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 590340621 DEBIJGAGBDDPAD-UHFFFAOYSA-N 471.532 6.182 30 20 JKED C=CCn1c(SCc2ccc(OC)c([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 603722257 DAWJPVUHBUBNHQ-UHFFFAOYSA-N 461.341 5.103 30 20 JKED CC(C)CN(C(=O)c1cncc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1)c1ccc(C#N)cc1 603739135 FRYQDPHSHDNBIW-UHFFFAOYSA-N 479.584 5.431 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)c2cccs2)cc1 603802034 YJMSOCAXATXYOX-YADARESESA-N 459.619 5.149 30 20 JKED Cc1ccc(-c2noc(CCC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)n2)cc1F 604115098 DNRUDVYRXQMKKP-UHFFFAOYSA-N 472.495 5.669 30 20 JKED COc1ccc(CNC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OCCCC#N 604512422 JASRDZBHOYYDQS-UHFFFAOYSA-N 455.385 6.564 30 20 JKED N#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 609028551 CRNSGLHWAYMYGJ-HHHXNRCGSA-N 497.576 5.061 30 20 JKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080608 PQPLLJBYIYBASU-GOSISDBHSA-N 486.963 5.596 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)cc1 609400117 KUWGOLKVFNRUQQ-YDIMBITNSA-N 451.636 5.904 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(CCc1ccccc1)Cc1ccccc1 609437140 AVBLUKIWIOLFSX-NRFANRHFSA-N 457.599 5.291 30 20 JKED C=CCn1c(SCc2csc(-c3cnn(C)c3)n2)nc2sc(-c3ccccc3)cc2c1=O 613900534 UMVNDBNMFILPKS-UHFFFAOYSA-N 477.640 5.460 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093009 SGQPLHFRXXMJOD-VXGBXAGGSA-N 493.261 6.029 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(C(=O)NCC(F)(F)F)cc1 641971093 WLGKIDZWTVUNLO-UHFFFAOYSA-N 488.306 5.034 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)cc1 642520730 UDKTYAZFANSXTC-UHFFFAOYSA-N 486.641 5.931 30 20 JKED N#Cc1c(NC(=O)COC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)sc2c1CCCCC2 726025236 FDWAIFKOXZDGLB-UHFFFAOYSA-N 499.677 5.016 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(COC(C)(C)C)c2)c1 726106804 UUEZYPUQZASYAN-QHCPKHFHSA-N 479.646 5.111 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726406000 HRXCOVNXFVOHKB-NRFANRHFSA-N 469.010 5.589 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3OC(F)F)SC2=S)cc1Cl 726626208 AYUVLZMQSOYYQS-GIDUJCDVSA-N 467.862 5.127 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727628708 WRQOIRHFYJFPQI-LAUBAEHRSA-N 460.603 5.374 30 20 JKED Cc1cnc(O)n1-c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 728028900 CPTUSJWQMDBILW-UHFFFAOYSA-N 458.905 5.243 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)c1 728182205 BFKJQVHXXHZNHM-UHFFFAOYSA-N 491.931 5.148 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(F)F)c1 728823637 KVADMVPXYWOTJB-UHFFFAOYSA-N 496.885 5.077 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2scnc2C)cc1F 729144799 GAZSYOQHUNEFCK-HXUWFJFHSA-N 498.605 5.068 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1ccccn1 730522478 MIVIJXVQZPOJME-DEOSSOPVSA-N 486.597 5.007 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cocn3)C2=O)cc1Cl 730710073 HLYARBBCMDVVPD-HXUWFJFHSA-N 482.993 5.414 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3cocn3)C2=O)cc1 730710464 LYGIJWSPKZKCDY-DEOSSOPVSA-N 498.564 5.191 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1Cc1cocn1 730717755 AYPKUXIRWVSNDC-OAQYLSRUSA-N 498.992 5.060 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)C4=COCCC4)c3C#N)C(C)(C)C2)o1 730851086 QHDRSEBUWSDTSW-CLFYSBASSA-N 478.570 5.475 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 730943496 DULDEWLXOQKLRV-HRAATJIYSA-N 498.530 5.822 30 20 JKED Cc1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)cc1F 732799699 ZERSEXNMGNQYJS-OAHLLOKOSA-N 459.852 5.054 30 20 JKED CCOCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2C#N)C1=O 742834456 UXYWEFAEQACZEZ-XDHOZWIPSA-N 489.416 5.142 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(CN2CCCC2)n(-c2ccc(Cl)cc2)c1=S 746033028 JUGQYYOGBWCMTC-UHFFFAOYSA-N 481.069 5.392 30 20 JKED C[C@@H](C#N)CN(C)Cn1nc(CSc2nc3ccccc3s2)n(Cc2ccccc2)c1=S 746706694 PNVKITLTEKSFPM-KRWDZBQOSA-N 480.688 5.413 30 20 JKED COc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)cc1OCc1ccccc1 747066499 MGKSLXBISSDYOJ-DHZHZOJOSA-N 488.508 5.175 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2cscn2)c1 747601747 HAFPCSVRDBRWJB-JOCHJYFZSA-N 492.626 5.069 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 748990224 ZATKAGKIIFHDDM-SANMLTNESA-N 472.552 5.116 30 20 JKED CC(C)CN(CCC#N)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 751381869 KQTUEQLZBJAXEW-UHFFFAOYSA-N 468.673 5.967 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O 799209834 GIOCAPYOLXJOQI-HXUWFJFHSA-N 487.503 5.371 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(-c3cccs3)n2)n(-c2ccc(F)cc2)c1C 811598482 QZCOMWPFPKREPI-UHFFFAOYSA-N 494.573 5.014 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N([C@H](C)c3cccnc3)C2=O)c1 837284257 KUDNTKNQOMFTKC-ZJSXRUAMSA-N 486.641 6.037 30 20 JKED N#Cc1ccc(N2C[C@H](c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)CC2=O)cc1Cl 904490645 VNCAVECPBBDYRR-HXUWFJFHSA-N 494.942 5.180 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCC2=CCCCC2)c1 913118562 XPOSVHIWYWPBAG-XMMPIXPASA-N 490.629 5.496 30 20 JKED N#CC(CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1 914887725 NBMJWYCQCLEVSD-HSZRJFAPSA-N 470.544 5.121 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 915567566 RBGKKUDMWXCPNQ-JOCHJYFZSA-N 457.505 5.352 30 20 JKED CCOc1ccc(-n2c(-c3cccc(C)c3)nn(CN(CCC#N)Cc3cccnc3)c2=S)cc1 915796118 ZNETZARZAHVPLY-UHFFFAOYSA-N 484.629 5.546 30 20 JKED COc1cc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc(OC)c1OC 916137960 YBGJVZUHQXLJKZ-MDZDMXLPSA-N 461.345 5.469 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O)Nc1cccc2ccccc12 916209857 SOELEAFTUGQGTJ-XMMPIXPASA-N 484.556 5.534 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 916211199 LVLCENPAQIABQL-FQEVSTJZSA-N 498.948 5.310 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(F)cc2)cc1 916213173 AXXPSZDHPCCTEO-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCOc1ccc(Oc2c(C=Nn3c(S)nnc3C(C)C)c(C)nn2-c2ccccc2)cc1 916312576 FIFODBVXYQVIEA-UHFFFAOYSA-N 462.579 5.258 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C)s2)c1 916396546 ZWGUYYVGDNWAOR-UHFFFAOYSA-N 461.008 5.021 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)c1 916895077 WSGULDIAECNYFU-RUZDIDTESA-N 456.542 5.533 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(C)cc1Br 916902512 YYURIBYJUGLXHQ-LFAOLKIESA-N 461.743 5.089 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 916913443 QQKVEBLVFSISPN-LJQANCHMSA-N 479.989 5.958 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 916925107 GJACLONURIBMEG-JOCHJYFZSA-N 487.506 5.792 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916937669 FQDHYODGAJBHIQ-QMTHXVAHSA-N 455.736 5.070 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)cc1 916974201 GNDCJTBHVPDJRW-VQIMIIECSA-N 480.387 5.110 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCNC(=O)c3cc(F)ccc3Br)n2)cc1 916975240 WKIXZJAKHUKKHT-KRWDZBQOSA-N 486.366 5.017 30 20 JKED Cc1ccc(-c2csc3ncnc(NN=C4CCC5(CC4)C(=O)Nc4ccccc45)c23)cc1 917542867 WFJOVKNYCORESD-UHFFFAOYSA-N 453.571 5.899 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccc3c(c2)CCCC3)N=C1C 917610856 XGMAOBFJSNSJCH-UHFFFAOYSA-O 496.656 6.324 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)CCCC3)cc1 917612309 PCEWAZYPDYNSBQ-UHFFFAOYSA-O 468.646 6.345 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cc3ccccc3o2)C1=O 917653132 JBSBNUOIYAXCKQ-SFHVURJKSA-N 475.542 5.015 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)cc1 917680363 BXIQJOARAYDBSU-CCDWMCETSA-N 490.673 5.145 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC(C)C)C1=O 917704950 RATLNHAHWWZAAP-NRFANRHFSA-N 485.009 5.145 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccoc2C)ccc1Cl 919826760 DHWYVNONWMZETO-UHFFFAOYSA-N 476.957 5.034 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920104233 NAYCGAGLGCXGLA-KXBFYZLASA-N 477.973 5.998 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)n2)cc1 920139584 VKZLNPJNFVWRNS-QFIPXVFZSA-N 475.570 5.044 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 920140433 HAFBCFVACGFIGC-TZIWHRDSSA-N 474.973 5.064 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCc3cn4ccccc4n3)n2)cc1 920144137 XUSZYRQHLGUXNB-JOCHJYFZSA-N 480.549 5.535 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)n2)cc1 920145035 ZQTQLTSTQABTHK-RPLLCQBOSA-N 497.620 5.532 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(N3CCCCC3=O)cc2)cc1OCC 920180878 MOLVMKFGVJUPNJ-UHFFFAOYSA-N 473.411 5.219 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1cccc(Br)c1 920268181 MQBXZUFAGFWSPK-HXUWFJFHSA-N 477.387 5.865 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2c(C)noc2C)c1 920354099 YVJFCESGWRRAAZ-VWLOTQADSA-N 498.608 5.914 30 20 JKED Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(Cl)c1 920893340 VJPQNMMEIHKKIA-SFHVURJKSA-N 464.953 5.226 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c1 921254552 QBGQHGCNFKSQEZ-FXAWDEMLSA-N 493.551 5.231 30 20 JKED Cn1c(CC(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cc2ccccc21 1786031017 NDTWONCEKWTXFS-BUHFOSPRSA-N 497.620 5.356 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc2)CCC1 1786560907 JFQHYQVDXXLNLF-NRFANRHFSA-N 469.626 5.192 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccsc3)cc2)CCC1 1786941245 MCDFHFWCUJSMMB-MKGTUJQCSA-N 495.645 5.365 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(OC)cc34)cc2)CCC1 1789275735 KWHFSYAKIJTHLI-QFIPXVFZSA-N 457.574 5.693 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](N)c3cccc(Cl)c3)CCC2)cc1 1789451843 UOKORJKUMXQZEP-DHIUTWEWSA-N 451.998 5.242 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)cc2)CCC1)C(F)(F)F 1789531333 UFUCCMJCBCMLAW-UFYCRDLUSA-N 458.505 5.127 30 20 JKED Cc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)n1 1790082715 HPPKZAYMNAFNOR-BUHFOSPRSA-N 470.960 5.376 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4c(Cl)c3OC)cc2)CCC1 1790092338 BJSOWTZPZKAFSF-SFHVURJKSA-N 490.987 5.288 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4Cl)CCC3)cc2)c1 1790144699 CBKBGCCTZNUJTI-UHFFFAOYSA-N 457.921 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(-n4ccnc4)ccn3)cc2)CCC1 1790168787 HOCXKASABXCSGQ-UHFFFAOYSA-N 457.578 5.007 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)s4)CCC3)cc2)c(Cl)c1 1790767889 NQGBFHRFCNEHMB-UHFFFAOYSA-N 471.369 5.383 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)c1 1791323854 LSSPNVLOJPONGS-HLAWJBBLSA-N 457.574 5.141 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)Cc4ccc(SC)cc4)cc3)CCC2)c(C#N)c1 1791736806 XNHCZFPXYWBVMA-UHFFFAOYSA-N 499.636 5.208 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCCc4cccnc4)cc3)CCC2)c1 1791951679 QUEQYOARWFGBDK-OAQYLSRUSA-N 466.585 5.479 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CC4CCC4)cc3)CCC2)cc(C(F)(F)F)c1 1792272413 UVFUNAATOXFAFI-UHFFFAOYSA-N 455.480 5.515 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]4CC[C@H]3N4C(=O)OC(C)(C)C)cc2)CCC1 1792342661 FOCDMOOOJQJFBA-HGSOSGBHSA-N 481.637 5.121 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)cc(C)nc2c1 1797958277 HVZOMGCZNCKWFR-ACDBMABISA-N 454.014 5.441 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCc1ccc(C(F)(F)F)cc1)C2 1798331893 AXBDZQLFIDFSEQ-KAOXLYBCSA-N 462.556 5.435 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C)C2 1798340241 QYVSGMSKOTTYSK-CIAFKFPVSA-N 481.637 5.362 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]31)C2 1798420442 NFKFEWCFPQXCDW-JTCYRHKZSA-N 456.747 5.282 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c2ccccc2n2ccsc12)c1ccccc1 1799130798 NYIFBQGRFLDEDY-KIHHCIJBSA-N 495.648 5.603 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@](C)(OC)c1cccc2ccccc12 1799857446 TTWFTYNICVLEAV-WVIKYXKOSA-N 460.618 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(C)cc1Br 1800841848 ZAMDWPBZNVZKEQ-BJWYYQGGSA-N 465.407 5.141 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1803091784 RENSGRMPMUZDNU-MBSDFSHPSA-N 473.951 5.101 30 20 JKED CC(C)[C@H](C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1803218617 SJADBEFABQGDRS-CCNCKIRNSA-N 494.639 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)c(F)c2)C3)c1 1803683825 AMZSMLCQQBEEDF-GAZPGATBSA-N 473.470 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cnn(C(C)(C)C)c3Cl)C2)CC1 1807686648 GPCWPMZZJLRMBC-UHFFFAOYSA-N 463.066 5.129 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)cc1 1809759163 VFCYFJZSTDWIHD-HYBUGGRVSA-N 486.622 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3cccs3)on2)[C@H]1c1cccnc1 1810498648 OGEZUJCEGFJIMJ-XXBNENTESA-N 478.618 5.110 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c(C)c1 1811753839 WSYLHNSMLZHKTI-BKMJKUGQSA-N 487.003 5.165 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1811763381 IOLSVJVWXDKMFM-SIKLNZKXSA-N 473.539 5.412 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812590595 MERNKSVHAFHNEI-PTLVVNQVSA-N 466.025 5.075 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[C@H]1c1cccnc1 1813060414 IGMACLFNTLAUGN-RNJDCESWSA-N 475.539 5.175 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4c(s3)CCCC4)[C@@H]2c2cccnc2)c1 1813865446 FHGJZIFNSDWEDV-BNAYCWRJSA-N 498.652 5.282 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC)cc2Cl)[C@@H]1c1cccnc1 1813904127 MTQPJCXHCQGZCS-CVDCTZTESA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2occc2Br)[nH]n1 1814442770 YWYATZUCCKGLKE-MRXNPFEDSA-N 463.376 5.064 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)c(C(F)(F)F)o1 1814736831 LGLWBAHPAXQJAS-FQEVSTJZSA-N 499.493 5.140 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c1 1814741054 YUWJWKBIEFFPCX-OAQYLSRUSA-N 479.943 5.013 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCCC2(F)F)n[nH]1 1815351536 XENUKMRFAIVOHK-UYAOXDASSA-N 478.660 5.278 30 20 JKED Cc1cscc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1818242135 KJXDTUQMGMKYEZ-OAQYLSRUSA-N 477.590 5.058 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)[nH]n1)c1ccccc1 1819518788 FKAVZOLWUNWMLN-WIYYLYMNSA-N 497.521 5.260 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)[nH]n2)c1 1820485982 PLBJKSDGHHFOKB-LJQANCHMSA-N 486.334 5.347 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821524301 PIONGROVCCBBFJ-HXUWFJFHSA-N 493.514 5.668 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cncc(-c3ccccc3C=O)c2)n[nH]1 1821728283 RMZYVCQMATXOHD-OZXSUGGESA-N 497.599 5.359 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(F)cc3)n[nH]2)c(Cl)c1 1822220292 HFMPOHWNIBRUCB-QFIPXVFZSA-N 479.943 5.013 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1Cl 1823215806 FWRCJOQLBPIFLW-ZHRRBRCNSA-N 491.979 5.318 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(Br)n2)CC1 1823752079 KWLAFAAKPTXCKT-GOSISDBHSA-N 482.488 5.131 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1824539892 DLVMCIFNRMYQKK-UNMCSNQZSA-N 463.043 5.274 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1824960939 AWUZHTSJRIZIDK-IBGZPJMESA-N 473.441 5.285 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1825208897 IFRKUUITFGETDR-LVXARBLLSA-N 477.674 5.550 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(Br)cc2C)CC1 1826189116 UDPYOSRETPLIPR-QFIPXVFZSA-N 488.470 5.154 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)cc12 1827413640 MUYSXRDYQUVWHD-QFIPXVFZSA-N 492.670 5.279 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c(Cl)c1 1827780857 PXWHZSDJYSGBAT-FQEVSTJZSA-N 493.913 5.371 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828134021 SGKOVYLJGQOXDT-VXKWHMMOSA-N 451.636 5.298 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1828344438 LDVWZZBZTQBVHB-RUZDIDTESA-N 496.076 5.546 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1828357501 WIIFXYUDNZAEKP-WUZNFDRSSA-N 467.569 5.251 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1828821955 ABKZRSMQEUWFMY-VPUSJEBWSA-N 477.624 5.823 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2)CC1)NC(=O)OC(C)(C)C 1830003797 DREAVVDLLFFEQQ-DQEYMECFSA-N 497.680 5.088 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830052343 SQYKZSQKCYGVPH-XZOQPEGZSA-N 462.556 5.707 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1830414867 IWWPRIYLXYCNTK-ATIYNZHBSA-N 490.648 5.091 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CCC1 1830492284 ALDFISBQCVANID-SANMLTNESA-N 471.601 5.406 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1830632139 ZQDZLMODVCRYGW-LJAQVGFWSA-N 492.623 5.362 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770173 MLSQQMXSVISDSX-RUZDIDTESA-N 494.035 5.466 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831017320 FFYBEIYAUIBVLR-RUZDIDTESA-N 484.040 5.104 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1831371802 LUGRAXXHZWECIB-HTAPYJJXSA-N 467.437 5.204 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cc(Br)ccc3c2)CC1 1831376080 ITOHDFFIBWTBPV-MHECFPHRSA-N 498.465 5.443 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1832630004 WWLLQIIJUIJGCH-WTEOMTDASA-N 487.619 5.490 30 20 JKED COc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832635503 IAODCCZCUOEFHR-SIBVEZHUSA-N 477.580 5.008 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699071 RCVMGTGIKONVAE-WXVAWEFUSA-N 460.618 5.178 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3F)CC2)CC1 1836437756 KCXDCEZTRMASBS-UHFFFAOYSA-N 497.577 5.022 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(CCCCC)cc3)CC2)CC1 1836664023 MKHRQJHREBBMPX-XXFRDUSWSA-N 496.692 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1841319225 KFCULNABZRVBIU-FQEVSTJZSA-N 481.637 5.109 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4c(ccc5ncccc54)s3)C2)c1 1844640272 PEBFSXYHAPYJFZ-GOSISDBHSA-N 480.593 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Oc4ccccc4)cc2)C3)c1 1846830745 ZENXFRLTKCJCEP-NRFANRHFSA-N 465.553 5.237 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179514 IDGRZFMHROHSEY-UHFFFAOYSA-O 498.422 5.121 30 20 JKED C[C@H](Sc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)C(=O)Nc1ccccc1C#N 10437715 JAARGVCFGXZLRK-HNNXBMFYSA-N 472.595 5.316 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1cccc(Cl)c1 14872545 SLEDMEXSPMJNRP-UHFFFAOYSA-O 451.877 5.577 30 20 JKED CC(C)Cn1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccc(Cl)cc1Cl 15244656 TXPVFJFGQDVCFR-SFHVURJKSA-N 491.444 5.506 30 20 JKED C=CCNC(=O)[C@@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 16059880 IYHVATDXXGJVJJ-MRXNPFEDSA-N 481.672 5.011 30 20 JKED C=CCc1cc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)cc(OC)c1OC 16171516 GPNPGNBPJJPZLH-UHFFFAOYSA-N 480.586 5.547 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ncccc23)nnc1-c1ccc(Br)cc1 24015774 AIYCKNDCYRWBRW-HNNXBMFYSA-N 494.418 5.561 30 20 JKED CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C#N)c3)n2[C@@H](C)c2ccccc2)cc1 28609307 CTQPFGLTMWTQNY-FQEVSTJZSA-N 497.624 5.631 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C#N)n1-c1ccc(C)cc1 29832241 KPMZPQIRYGREIV-SFHVURJKSA-N 469.570 5.242 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)nnc1-c1ccco1 29991145 GFBOCQUYWASUCP-IBGZPJMESA-N 499.552 5.533 30 20 JKED C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccccc1 33474961 KUIVJUXUIOSVKO-LJQANCHMSA-N 457.559 5.014 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc12 78720140 HPRRAWZBYMBJOS-HNNXBMFYSA-N 464.591 6.240 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)Nc3sc(C)c(C)c3C#N)CCC(=O)N2c2ccc(OC)cc2)cc1 104683553 VVEUBIWZQVUIFY-RCZVLFRGSA-N 489.597 5.377 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCc3cc(F)ccc32)c1 106003734 KIHTZDRSDKSHQP-UHFFFAOYSA-N 484.980 5.453 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1Br 195664230 WXOPNIOYXSROKN-NSHDSACASA-N 451.729 5.219 30 20 JKED C=CCN(CC=C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 219334295 CCZUKYUBTFUSOP-SILNSSARSA-N 470.569 5.562 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 253610113 JPOVJLHANUYJET-UHFFFAOYSA-N 480.080 5.439 30 20 JKED C=CCn1c(SCC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 409560045 ADVISEMWYWJRPO-NFBKMPQASA-N 483.037 5.161 30 20 JKED CCCC[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(OC)cc1 483782445 FRKMOHGSNCHBTL-OAQYLSRUSA-N 462.550 5.079 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1C 498630878 IBPBGBQBCRBOFX-UHFFFAOYSA-N 495.558 5.653 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1 499153208 FJCNFLFSCWUZQC-UHFFFAOYSA-N 476.989 5.705 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)c2)cc1 501472935 GBWTZZYYELBTCX-UHFFFAOYSA-N 490.972 5.766 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc(Oc4cccc(C(F)(F)F)c4)c3)CC2)c1 501691589 BAXBUZQQLADXLC-UHFFFAOYSA-N 493.485 5.860 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1nc(C(=O)OCC)cs1 501936010 CSWKOPQWOSSUFA-UHFFFAOYSA-N 489.601 5.454 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(OC)cc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 506831635 ZDRJFOZIDADKLE-UHFFFAOYSA-N 478.555 5.683 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1Cl 510060147 XVYHMRXKITYJGJ-HSZRJFAPSA-N 494.973 6.060 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(NC(=O)c2ccsc2)CC1 510875194 WIGUVFHEHGKYHH-UHFFFAOYSA-N 460.559 5.147 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 511498606 YVJIHNSXGLTXBW-UHFFFAOYSA-N 492.601 5.117 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c2)cc1 511623980 IDWWFDWUTPVDOM-UHFFFAOYSA-N 482.462 5.382 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 513389815 KUMDHMSAGGDPIK-RSXGOPAZSA-N 490.003 6.217 30 20 JKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513998780 GHEYSAOLJXXYHB-OAQYLSRUSA-N 484.575 5.946 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 515447080 NYTYPNWHISNXPX-UHFFFAOYSA-N 494.345 5.233 30 20 JKED Cc1nc(-c2ccc(CNC(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)s2)cs1 517842195 DQZYEJYAGOTYIX-UHFFFAOYSA-N 474.567 5.099 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1Cl 518115548 IYYRTTUFRZRJMB-VWNXMTODSA-N 461.924 5.437 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 518164927 IZXCUIWYWKPEQX-KDOFPFPSSA-N 476.465 6.402 30 20 JKED C=CCN(C(=O)Cc1ccc(-n2cnnn2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 518173226 WNPZPFLYALNKOO-UHFFFAOYSA-N 478.581 5.215 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 518743299 WCBDIPJOMCNOHH-OALUTQOASA-N 479.627 5.373 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(N2CCCC2=O)c1 519012839 WYYHBBXRTCMRQX-HXUWFJFHSA-N 468.557 5.341 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 519913292 QWWXZNOKKZNOCQ-UHFFFAOYSA-N 452.558 5.893 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc1 521303292 CTTIWHIXVITKFF-UHFFFAOYSA-N 487.357 5.737 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 521710938 GQOCMTSHTGFQQI-UHFFFAOYSA-N 478.936 5.745 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC3(CCC3)c3c(F)cccc32)c1 523571199 JADNTHYIOGFJJO-UHFFFAOYSA-N 471.557 5.510 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc(-c5ccc(Cl)cc5)no4)C3)cc2)cc1 524159516 ISHPQLJVQKEKDN-FQEVSTJZSA-N 499.958 6.465 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 524388460 FCXCWNLLXXGRPR-UHFFFAOYSA-N 462.365 5.354 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 524389422 GDRLUKXBLRVALN-FQEVSTJZSA-N 453.951 5.058 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C#N)c4cccc(Cl)c4Cl)CC3)c2c1C 524572889 ZZCSXPUMTXOFSD-KRWDZBQOSA-N 474.417 5.212 30 20 JKED COc1ccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CCOCC2)cc1 546702359 SCBJWLSXEBCDPC-UHFFFAOYSA-N 458.514 5.055 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 561422552 ZZZRCPVDNHSLOV-INIZCTEOSA-N 498.435 6.232 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3SCc3cscn3)s2)cc1 591888990 NTKVVOHKXBDXND-UHFFFAOYSA-N 481.653 5.703 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)s2)cc1 602225410 GCPXWSGBWUQHDO-UHFFFAOYSA-N 476.565 5.165 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 603739749 BAJDLWVNUJFSHB-UHFFFAOYSA-N 471.948 5.691 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)cc1 603756295 KZOYLXSIQVMOLB-UHFFFAOYSA-N 497.576 5.589 30 20 JKED CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603765897 CCIOGDFQFIXDEO-OZXSUGGESA-N 459.977 5.317 30 20 JKED Cc1ccc(NC(=O)[C@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Br)c1 604044442 PBENGTPVZWOUSJ-KRWDZBQOSA-N 464.363 5.647 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 604147247 UEDUBIXSRGUSMC-RUZDIDTESA-N 455.558 5.174 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1C 604450593 HEVXQUDUFXLJEY-LJQANCHMSA-N 470.552 5.205 30 20 JKED CC(C)(C)OCc1cccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 608798127 WVNCMMWIHYLAKZ-XMMPIXPASA-N 490.003 5.565 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 608876166 FMDCTGQJOKWKHL-GOSISDBHSA-N 456.546 5.109 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)s2)cc1 608994270 JCKVQGYDHUCJSK-SFHVURJKSA-N 489.985 5.100 30 20 JKED N#C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(OCc2ccccc2)cc1 609028282 RFJHZLFDGCOOMN-DEOSSOPVSA-N 471.944 5.888 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc(-c5ccccn5)no4)CC3)cc2)cc1 609207806 LQIAGDZXPLXCKU-UHFFFAOYSA-N 466.501 5.207 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 609370748 UGUZEBQMNWHCND-INIZCTEOSA-N 474.611 5.827 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCCCC[C@@H]1c1ccncc1 609402720 MWIVPSHGEQEFCT-LJQANCHMSA-N 476.524 5.189 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)c1 609430359 RLFYWEZJYBOVFV-LJQANCHMSA-N 479.627 5.751 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCc1ccco1)c1nc2cc(C(F)(F)F)ccc2s1 613404400 LNNLYAWFEVKONM-MRXNPFEDSA-N 458.486 6.690 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCc1ccc(Br)cc1)c1nc2ccccc2o1 614439753 GPFATEKLVASMHU-SFHVURJKSA-N 463.356 6.373 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)nnc1-c1ccccc1OC 617996352 QHJACPDJEOYSJR-OALUTQOASA-N 476.646 5.377 30 20 JKED CCOc1c(F)cccc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518251 YZUBEIRRHLQYBM-QGZVFWFLSA-N 465.365 5.476 30 20 JKED CC(C)NC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 642281811 LIBZNXSNHPLHBG-IBGZPJMESA-N 452.967 5.161 30 20 JKED N#Cc1c(NC(=O)CCN2CCC(C(=O)c3cc(F)ccc3F)CC2)sc2c1CCCCC2 642628745 BRFYPRZIFOEULE-UHFFFAOYSA-N 471.573 5.090 30 20 JKED C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(OC)cc1 644495937 WYKDDXWNYBORLJ-UHFFFAOYSA-N 463.390 5.567 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2cc(Cl)ccc2c1=O 662768064 KFXXQXLTAUAGCL-QGZVFWFLSA-N 494.020 5.158 30 20 JKED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726300170 MZQNYNGWWLGMKI-OPAMFIHVSA-N 466.368 5.335 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 726403339 ZYPJGMXSRKRJIG-OXQOHEQNSA-N 493.551 5.399 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@H](C)c1cccs1 726419958 KHMXRTOKMMTBNT-LXKIKUQISA-N 494.082 5.382 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C[C@@H]1CCCO1)c1cccs1 726420576 ITFKARANDVASBA-OGTPQZACSA-N 493.654 5.470 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)S/C1=N/[C@H](C)c1cccs1 726421347 MNPCXSRVMJZOMS-JEWPTACZSA-N 457.621 5.113 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N\[C@@H](C)c1cccs1 726422234 VXWHCPNNFTVPQK-XKXIVVFUSA-N 469.604 5.473 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 727997360 YZTKTJQNIDRDPR-UHFFFAOYSA-N 457.530 6.045 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)c1 728126229 RSMIHNHSZUVOOB-INIZCTEOSA-N 450.283 5.161 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CCC2)ccc1Cl 728191756 QEBDZAJLLLEZGR-OAQYLSRUSA-N 493.456 5.779 30 20 JKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)N1CCOC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 728411936 PSPCTTRZAGCBJB-FXAWDEMLSA-N 486.380 5.877 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 728780431 SYKGNCAIAYTCSQ-LJQANCHMSA-N 493.391 5.787 30 20 JKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCN(C(=O)c2ccccc2)CC1 729554073 ZJXXSTLUCNHGSI-AREMUKBSSA-N 452.558 5.111 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 729668106 BHYROAJPMJMQQW-UHFFFAOYSA-O 451.568 5.011 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H](C)Sc2ccccc2S(=O)(=O)CCC)c1 730493318 GNFUNLPPXKGVDQ-LJQANCHMSA-N 467.612 5.159 30 20 JKED C[C@H](OC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)N(CCC#N)c1ccc(F)cc1 730608033 DXVPLUYTTUTNRH-AWEZNQCLSA-N 493.482 5.265 30 20 JKED N#CCOc1ccc(CSc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)o2)cc1 731158634 FYAZWKCNEJSCPH-UHFFFAOYSA-N 484.968 6.800 30 20 JKED CS(=O)(=O)c1ccc(OCCCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 743447889 UYZCKBUFNQEEMD-KRWDZBQOSA-N 496.532 5.144 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccc3ccccc3n2)C1=O)Nc1ccccc1F 743511786 IKJVBDPXQMCVII-RUZDIDTESA-N 498.583 5.577 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)c1 743524515 KAVCKWURTDMBKG-HSZRJFAPSA-N 472.545 5.166 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(Cc2ccc(F)cc2)C(C)C)c1=S 746026535 MDKIWWCOZREEGW-JOCHJYFZSA-N 454.571 5.120 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2cc(Cl)ccc2s1 747112119 XPYSHMUXEGQZFU-CQSZACIVSA-N 478.813 6.799 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)c1 748421637 RHJAQCOIPAZSDP-IBGZPJMESA-N 493.995 5.153 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 749047714 GVFYBIXCTLLAOC-ZDUSSCGKSA-N 474.735 5.066 30 20 JKED N#C[C@H](C(=O)CNC(=O)CC1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 749050016 XTNOTDXNTLOPRH-MRXNPFEDSA-N 450.391 5.380 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)N1CCC(c2nc3ccccc3s2)CC1 749946121 YVLRQZYYNQEMBB-UHFFFAOYSA-N 481.577 5.398 30 20 JKED C=CCOc1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 769674325 UAVVZYITYWNKBE-LBIZBFCRSA-N 450.318 5.150 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CC(F)(F)F)C1=O 799215540 MQKUUMSLVZKPHD-LJQANCHMSA-N 479.524 5.306 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(CC(F)(F)F)C1=O 799216221 AMOQIPOENZESOW-GOSISDBHSA-N 499.942 5.488 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1[C@@H]1COc2ccccc2O1 803124389 ADTAPSVWAGMINS-KRWDZBQOSA-N 490.557 5.022 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H](C)c3cccnc3)C2=O)cc1 837301451 KTDHYMTXCRMGPM-VGSWGCGISA-N 462.550 5.251 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@H](C)c1cccnc1 838533827 HPVWBDCRBVYFIS-DVECYGJZSA-N 488.613 5.429 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)c1C#N 857846124 HJJPCDVZFOGSFV-CVEARBPZSA-N 459.571 5.128 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3ccccc3Br)no2)nnc1-c1ccco1 904964888 STEIQFFRIQNHJI-UHFFFAOYSA-N 458.341 5.219 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(NC(C)=O)c1 913120551 KNZUZBBHLRNDCB-QFIPXVFZSA-N 466.607 5.022 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cc(Cl)ccc2OCc2cccnc2)cc1 914694123 YMMAPBJWXHZIEA-UHFFFAOYSA-N 470.385 5.733 30 20 JKED CCOc1cc(/C=C\C(=O)c2cnc3sc(C(=O)OC)c(C)c3c2)cc(Br)c1O 914773739 UJRNCRJGTYTPLA-WAYWQWQTSA-N 476.348 5.154 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)c2nc(C(C)C)no2)c1 914880999 YIDKHUVMVKPQJB-INIZCTEOSA-N 489.981 5.146 30 20 JKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(C#N)cc2)NC(=S)N1c1cccc(C)c1 916167880 FXVOSILDGVBHBL-XMMPIXPASA-N 456.546 5.354 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCCC2)c1 916207430 XZBVVKPNVGDOTL-JOCHJYFZSA-N 451.592 5.215 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916210137 BFNVJOYMPUCGIQ-IBGZPJMESA-N 479.524 5.092 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C[C@@H]1CCCO1 916215204 FKDHOSKGXKBCMH-OXJNMPFZSA-N 491.535 5.153 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CC3)C2=O)cc1 916217095 DYMQKJYVJPLQBU-LJQANCHMSA-N 475.492 5.031 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 916708107 JVZKEWFKUDWGDK-FQLXRVMXSA-N 495.623 6.323 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)CC1=O 916845922 WMWNDOCKOVZRAT-BXWFABGCSA-N 488.613 5.019 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C 916904154 XMTWIQDBARWYTO-HXUWFJFHSA-N 482.005 5.770 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916927903 FGAVSAKNRQAPHS-SFHVURJKSA-N 452.297 5.207 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1 916953267 MOWIHKHBOYLEGI-KRWDZBQOSA-N 455.333 5.147 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)n2)cc1 916974559 LWRZQMVBLFDCNS-UKILVPOCSA-N 464.546 6.063 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997860 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CCOc1c(F)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)ON=C(C)C)cc3)CCC2)cc1Cl 1790566422 AHUYYFNQROVDDY-MRXNPFEDSA-N 489.975 5.426 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CCC2)cc1 1790567475 LTCNGSXZIUPVOU-OAHLLOKOSA-N 479.474 5.393 30 20 JKED CCOc1c(F)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc1Cl 1790727611 DQNMIUUKZBJZTR-UHFFFAOYSA-N 480.927 5.139 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCN4CCCCC4)CCC3)cc2)cc(C(F)(F)F)c1 1790785103 LCKZJZSAKAGVCN-UHFFFAOYSA-N 498.549 5.201 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)[nH]c2ccc(Br)cc12 1791579800 ZVMLPXAORDCTFR-CQSZACIVSA-N 486.435 5.305 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(F)(F)F)nc2ccccc12 1798204900 YJPHNVNVEAZLRE-FCGDIQPGSA-N 471.523 5.274 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCC(C)(C)C)C2 1800131926 NCSPFUYFLPUKOY-BJESRGMDSA-N 491.717 5.481 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)c1 1801202878 BEYVVATWJROPCC-NUNAXRQHSA-N 477.564 5.342 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](CCC)CC1)C2)c1ccc(O)cc1 1802420860 MKWKEJAVLYMFCM-XORQXOLISA-N 464.650 5.134 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1802738129 HWRXWBGLYNBEKD-REWPJTCUSA-N 487.522 5.068 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1803079782 PJXLYKVOYYCRGF-YVRRWIAXSA-N 468.601 5.051 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1803084466 QFPHKNLTYKBFCZ-AZGAKELHSA-N 484.600 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)s2)[C@H]1c1cccnc1 1804466548 GNHWVFLVEJFZBG-XUZZJYLKSA-N 453.652 5.083 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC2(CCCN(C(=O)c3cnoc3C3CC3)C2)CC1 1808885402 ADIQEOIENSTJKW-UHFFFAOYSA-N 493.607 5.110 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)c1 1809617378 IJRJXIJRYFYMLB-PRWRRSIPSA-N 498.671 5.198 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810275001 PXCHNCOABYMXML-WNCULLNHSA-N 496.127 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1810503648 UJWQVJZSHVEVQL-OZXSUGGESA-N 493.623 5.322 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1810772738 JRVKFXLDVVETRZ-QPPBQGQZSA-N 496.449 5.241 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1811418786 ASFOMUAOMCUMBG-VWXAATNXSA-N 479.024 5.143 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811440726 ACECTDADVGWZDW-IRPSRAIASA-N 483.587 5.401 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811442987 WJNIPQPBUDSQKK-DHLKQENFSA-N 493.529 5.419 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c(Cl)c1 1811734987 VCQALXXKIIXAPB-HXOBKFHXSA-N 497.357 5.033 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)c2[nH]1 1811745831 NUMVVWGBYCPUIL-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[C@@H]1c1cccnc1 1812590982 QMRKEFDSPDPXKX-HUFIRRDGSA-N 487.566 5.208 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1812789617 AUMGBCLTAVQRKI-NXIZIBCUSA-N 493.673 5.050 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@H]1c1cccnc1 1812804218 JBKNZHPXPUJHFW-UHSQPCAPSA-N 488.676 5.588 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1813869662 MBQZNYQRSRZGMM-QPUQPBFLSA-N 486.660 5.491 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4c(Br)cccc4c3)[nH]n2)C1 1814395099 GSDMGAONTARICK-JOCHJYFZSA-N 493.405 5.598 30 20 JKED Cc1csc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)c1 1815380637 UBTWHGWCSDOYEH-HXUWFJFHSA-N 477.590 5.058 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2cccc3ccccc23)n[nH]1 1815648865 FMQVMTZVVRPTIR-URXFXBBRSA-N 472.589 5.402 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(CC)nc3ccc(Cl)cn23)n[nH]1 1817959493 NGQBQRPGJHYNNJ-NQIIRXRSSA-N 495.027 5.348 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)n[nH]2)c1 1818931360 NSSGHIPHQBKPSA-FKFVHYFGSA-N 489.620 5.202 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)cc12 1819055781 KKCWZNIWYLMANK-QFBILLFUSA-N 483.597 5.100 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c1Cl 1820218298 SDFYPUATLAHPPB-DGVDTQEHSA-N 498.974 5.435 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n[nH]1 1820588504 IHJQOOUKCUBMHT-AZUAARDMSA-N 460.500 5.503 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3ccc(C#N)cc23)n[nH]1 1821383268 ZJMLSUZOJLMALD-QFIPXVFZSA-N 489.624 5.460 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4ccoc4c3)n[nH]2)c1 1821462146 UOGHMNQNRBQRBA-UZUQRXQVSA-N 467.529 5.403 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1821920065 GUVKJKZJLBCXFO-IFXJQAMLSA-N 453.974 5.371 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccsc3)[nH]n2)c1 1823213451 XREDPBRBZRWQQJ-JTSKRJEESA-N 461.591 5.037 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823215569 VWXYPHWYVPQKPF-HJPURHCSSA-N 497.555 5.417 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@H](C)c3ccccc3)[nH]n2)cc1C#N 1823294486 ONABDRXZNMGOLG-NBGIEHNGSA-N 499.615 5.568 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nn(CC)c3ccccc23)CC1 1823753280 YLCPSNKPAGUVTH-QHCPKHFHSA-N 464.654 5.282 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1825947729 UGHRTSISSTYYGY-AREMUKBSSA-N 489.660 5.623 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)CC1 1826372286 METCCAWDBRZZDM-AREMUKBSSA-N 452.639 5.016 30 20 JKED O=C(c1c[nH]c2c(Cl)cccc12)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826528110 JNHDSGPIWQXSDP-RUZDIDTESA-N 474.004 5.106 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCCC2)CC1)c1cccs1 1827680099 HYXWIIQDRJKMJF-UFSNDUKISA-N 456.652 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828140658 YLSYGBZECYVOQZ-RUZDIDTESA-N 465.638 5.402 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1828352555 ROHGNOOEXISFQB-REUBFRLUSA-N 476.661 5.255 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc3ncccc23)CC1 1828821710 QGOWORJVHCLTIL-RPLLCQBOSA-N 459.634 5.165 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 1828822740 ALNPPSYPJOJQFG-FXSWLTOZSA-N 452.614 5.317 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1)c1ccccc1 1829030396 NWNJSUINURZYGD-DQEYMECFSA-N 489.685 5.451 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2ccccn2)CC1)c1ccccc1 1829035248 NTEYGSAABJKSCO-OFQAEJFBSA-N 485.672 5.077 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)CC1)c1ccccc1 1829198225 MMBAFDGYTSASAE-ILBGXUMGSA-N 496.026 5.305 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3Cl)CC2)cc1 1829442122 GQYKXIQNVABJNE-JOCHJYFZSA-N 470.038 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1829634579 WCRULIGRHPATPZ-RTWAWAEBSA-N 493.570 5.111 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)c1 1829675833 KRSGPEBEKWGBGR-BCHFMIIMSA-N 494.035 5.257 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1829677907 USPKYKVQZYIVTC-DDZLNHKNSA-N 479.665 5.407 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)c1Cl 1829690039 ZPTQMUFRNHCDHC-OAQYLSRUSA-N 481.021 5.302 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c1Cl 1829692909 PPOCGYNYPZPCEA-USHXRURQSA-N 468.041 5.271 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)c1 1829957454 PQJQMYXKYRVBBX-QHCPKHFHSA-N 488.390 5.551 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)c(Cl)c1 1830350837 SOJXMLFWBRRLNK-KMEWNKIWSA-N 454.014 5.191 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1830423691 VMTRDMJDXRBLPQ-SANMLTNESA-N 481.656 5.466 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 1830604730 KWIPUWJJIPAEDS-RUZDIDTESA-N 494.035 5.086 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1)C(F)(F)F 1830606749 VAORGEIPDQRVJD-IBGZPJMESA-N 472.935 5.091 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)C1 1843611845 LIMKSVZDKVXTDE-UHFFFAOYSA-N 467.997 5.337 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2sc3c(c2c1=O)CC[C@H](C)C3 8633259 SDGQFSONYBAXBW-LBPRGKRZSA-N 494.469 5.806 30 20 JKED O=C(/C(=C(/S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1ccc(F)cc1F 10174152 KPCJYFJFTKTTGV-UHFFFAOYSA-O 453.412 5.202 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(O)c1)c1ccc2c(c1)CCC2 11114151 WURYUPCRACGCNC-UHFFFAOYSA-O 471.574 5.534 30 20 JKED Cc1cccc(C)c1OCc1nnc(S[C@@H](C)C(=O)Nc2ccccc2C#N)n1-c1ccccc1 11390871 NWOCDMSPXMOADD-FQEVSTJZSA-N 483.597 5.454 30 20 JKED COc1ccc(/C=C2\N=C(SC[C@H](C#N)CCC#N)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 15240027 GDJNCSDRGDHOGB-WCEBZYJUSA-N 480.977 5.278 30 20 JKED N#CCSc1ccccc1NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 21375399 WGMOGKOHBZNBFU-UHFFFAOYSA-N 466.975 5.033 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nc2sc3c(c2c1=O)CCCC3 23404865 SOUWNBCZUMJRRT-RDJZCZTQSA-N 485.700 5.429 30 20 JKED CC(C)Cn1c(SCC(=O)N(CCC#N)Cc2ccco2)nnc1-c1ccc(Cl)cc1Cl 24144022 RYHHQGLFZZXQMK-UHFFFAOYSA-N 492.432 5.535 30 20 JKED C=CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1OC 24447234 BGVXLALAPXUJLW-VWLOTQADSA-N 465.571 5.127 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1cc2sc3ccccc3c2s1 25805627 IWXXBPGDZMOOOW-UHFFFAOYSA-N 481.599 5.238 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)nc2cc(Cl)ccc2c1=O 27351782 ACIWNDXKEHDCIH-UHFFFAOYSA-N 479.989 5.150 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCC(=O)C(C)(C)C)ccc1Cl 28370458 SXNZPCRCMRAPCB-UHFFFAOYSA-N 484.401 5.147 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(C(C)(C)C)cc2)c1C 28793348 ZXCIYRAUANXKAB-UHFFFAOYSA-O 497.084 6.432 30 20 JKED Cc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1NC(=O)c1ccco1 32291736 CXOLTOQUGZOPRN-UHFFFAOYSA-N 451.482 5.543 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 72025243 CVOWNVAPZSVSDM-UHFFFAOYSA-N 472.589 5.256 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 109353154 IERKHKRQTRHBRD-UHFFFAOYSA-N 467.363 5.094 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1F 195569239 LOAHKYWPNGUVAX-GOSISDBHSA-N 458.562 6.057 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 195668880 VSKPFZVPIMCWTM-UHFFFAOYSA-N 455.627 5.493 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 195711513 SJUFWGVOBFBHRB-FQEVSTJZSA-N 457.386 5.140 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)cc1 247711323 JSCPTZPDENYBEN-UHFFFAOYSA-N 482.609 5.273 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cn2)n1 303206115 PQAPWHQQJTULPO-UHFFFAOYSA-N 486.963 5.310 30 20 JKED CCN(C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)[C@@H](C)c1ccc(C#N)cc1 410287351 OSJRDTJZACQWNO-KRWDZBQOSA-N 476.374 5.796 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481745473 SFFXIBLQNKUXKA-UHFFFAOYSA-N 456.521 5.838 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483631240 DMIQPDOLCZXADR-FQEVSTJZSA-N 468.557 5.098 30 20 JKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1NC(=O)c1ccco1 488010826 RKALAUOAALGQNA-UHFFFAOYSA-N 467.500 5.694 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 500993639 DWLLRRUZRHSHLN-HSZRJFAPSA-N 463.537 5.390 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(Cc4ccco4)c4ccccc4C#N)cc3C2=O)c1 501022431 ZAWVYEDQWZLHBR-UHFFFAOYSA-N 475.504 5.416 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1)c1nc(C(=O)OCC)cs1 501944808 IARFEDKQIMXSOQ-UHFFFAOYSA-N 488.569 5.014 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCOc4ccc(Br)cc43)c2)c1 506565126 XROIBYZJALQAPN-OAQYLSRUSA-N 491.345 5.218 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)n2)cc1 509683823 RPEMOSOZFBFGOB-UHFFFAOYSA-N 454.486 5.371 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)s2)cc1 510969492 RDXNZWMMCUWZSL-UHFFFAOYSA-N 497.690 5.286 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 511325220 SJQWEYFXCZOZAQ-UHFFFAOYSA-N 454.983 5.277 30 20 JKED CC(C)[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 512239099 BDYISDIELQRFRT-OAQYLSRUSA-N 452.942 5.190 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC1CCCC1 513667094 RGGCCDCSSLMROL-QGZVFWFLSA-N 463.559 5.096 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 514561999 BROVFSDBLWWHDL-UHFFFAOYSA-N 479.968 5.003 30 20 JKED Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2C)n1 514575218 HHOPIUKWRMNAMB-DEOSSOPVSA-N 484.991 5.386 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 514874322 PYSVZEAMLGDXIE-VWLOTQADSA-N 475.662 5.273 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 515592184 LQMYRLUQCYJNBQ-UHFFFAOYSA-N 485.590 5.763 30 20 JKED C=CCn1c(SCC(=O)NC[C@H](OC)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 516537486 DGOBFCQDWYUBRD-IBGZPJMESA-N 477.417 5.034 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517131296 AKDJPFVCCDKQHK-UHFFFAOYSA-N 451.530 5.837 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 517473132 JQQHIMGOTPIJBF-FUHWJXTLSA-N 465.554 5.539 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 518151891 ZDYIVLCSGLLIBG-LJQANCHMSA-N 481.687 6.074 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccccc3SC[C@H](C)C#N)oc3ccccc23)s1 518667576 FBZHALRWEKSFFV-CQSZACIVSA-N 480.640 6.389 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H](C#N)c4cccc(Cl)c4Cl)cc3)o2)cc1 518710188 PJOSXXRSXXQWSM-HXUWFJFHSA-N 463.324 6.014 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 519516700 ZERSEKVUZFXMCN-GOSISDBHSA-N 459.637 5.144 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)Cc4ccccc4F)CC3)cc2Cl)cc1 520817545 DJIAZCSWAFYWBU-UHFFFAOYSA-N 492.938 5.062 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 520844388 UJAHGZMCFCZUMG-AVRWGWEMSA-N 469.566 5.529 30 20 JKED COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1 524680702 RFGYRZCFGUVFMV-KRWDZBQOSA-N 451.364 5.759 30 20 JKED N#CCCSc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 552998614 GQEUDVOLSGQBCY-FQEVSTJZSA-N 453.567 5.255 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 588981155 KFZWSYIISRMNBY-UHFFFAOYSA-N 469.998 5.016 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)cc1 603784792 PJAQPMBGTXNSEB-UHFFFAOYSA-N 454.299 5.829 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1cccc(OCCCC#N)c1 603972289 GTYYJSHAVPJZCL-UHFFFAOYSA-N 457.361 5.660 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1cccc(OCCCC#N)c1 603972338 QHOIZCXDCVXFBF-UHFFFAOYSA-N 457.361 5.660 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)c2)c1 603995630 OTAFPRWCXKJNCB-UHFFFAOYSA-N 460.415 5.630 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1NC(=O)c1ccccc1 604003151 GHWSWXMRHLYUBA-UHFFFAOYSA-N 475.548 6.145 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)n2)ccc1F 604116810 HOOXFCDXTGILEY-UHFFFAOYSA-N 470.504 5.401 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(Cl)c1 604140153 SEDWRVFSPHKCDR-GGAORHGYSA-N 466.368 5.855 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)s2)cc1 604514885 SWRKCIVVBGSPNN-UHFFFAOYSA-N 479.612 5.395 30 20 JKED COc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(Br)c1 604566656 XJUDUVWMPJKFFF-UHFFFAOYSA-N 496.308 5.648 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COc2ccccc2OCC(F)(F)F)cc1Cl 609011109 ASLGYMKUPFMKRX-IBGZPJMESA-N 474.866 5.954 30 20 JKED COc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1OCc1ccc2ccccc2n1 609066565 QOFWLTFHHHUQTI-UHFFFAOYSA-N 469.566 5.566 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(=Cc2cccc(F)c2)CC1 609078674 HBFQUGCPEMEQQD-UHFFFAOYSA-N 455.533 6.296 30 20 JKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609079227 PUFFPXFDOGFHNB-DEOSSOPVSA-N 455.558 5.693 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nc(-c2cccnc2)no1 609207148 UMIJMUBCCOMKTP-JOCHJYFZSA-N 454.490 5.314 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1 609208704 GQYFUVJAJODQHA-UHFFFAOYSA-N 454.530 5.039 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O 609371563 NSAINVQWNDEHQV-FQRUVTKNSA-N 498.608 5.083 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 613317980 BIMPRONPEXJHOM-QGZVFWFLSA-N 452.461 5.813 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319204 AJNMMIOIRRCBDW-QPPBQGQZSA-N 499.979 5.896 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nc2ccccc2c1=O 614509150 MDRKTCOWCGTDAM-UHFFFAOYSA-N 466.563 5.155 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2ccc(F)cc2)n1 614513156 LCEPJMQPOUNUFT-UHFFFAOYSA-N 479.606 5.627 30 20 JKED NC(=O)c1ccc(CSc2ncccc2C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 615402680 QFWCEVOYEQTLOQ-UHFFFAOYSA-N 469.591 5.186 30 20 JKED N#Cc1ccc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 619670646 OEXLCJGJZPGWLZ-UHFFFAOYSA-N 469.313 5.567 30 20 JKED CC(C)(C)n1cc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2ccc(F)cc2F)n1 622378996 DGTDRVCZCNECCV-UHFFFAOYSA-N 469.376 5.540 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=Nn1c(S)nc2ccccc2c1=O 725859444 OHRBJMZYOCWNKM-UHFFFAOYSA-N 478.792 5.081 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C#N)c(Cl)c1 726408959 JZPBPUVIMMDXLA-GGAORHGYSA-N 481.021 5.209 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(OC(C)C)cc1 726416584 XMGDCBPETJUSCI-LJQANCHMSA-N 490.969 5.016 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)cc4nc(S)[nH]c34)s2)c(C(F)(F)F)c1 726937850 XYBNPJGGFKYYAK-UHFFFAOYSA-N 477.468 5.181 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)c1 728186262 VXMPZHXSGQDWRI-UHFFFAOYSA-N 456.571 5.173 30 20 JKED N#Cc1cccc(COc2ccc(NCc3nc(O)c4ccc(C(F)(F)F)cc4n3)cc2F)c1 728200612 LRNZQGGAWGYGPJ-UHFFFAOYSA-N 468.410 5.556 30 20 JKED O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccccc1C(F)(F)F 728941642 GCOIDVOAVYSYSO-OAHLLOKOSA-N 460.296 5.296 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@@H](c2ccccc2)C2CCC2)C1=O 729141898 DODJAMDMENGKFF-CTNGQTDRSA-N 475.536 5.314 30 20 JKED CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 729319157 HZOVWXIECHGEAS-OAQYLSRUSA-N 453.970 5.581 30 20 JKED C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1OC(F)F 729432026 SWJRQZFPYFASTJ-SECBINFHSA-N 471.300 5.510 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CCC)c2ccccn2)c1 729657355 RFEAIBMBHNRIMP-XMMPIXPASA-N 484.021 5.388 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)cc1 730444307 LYXMMMVFLLDTHA-HSZRJFAPSA-N 494.592 5.196 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c(C)c1 730714062 WYYCWEFFFXHDED-FQEVSTJZSA-N 468.966 5.105 30 20 JKED COc1cc(C2(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCCC2)ccc1C 731084299 FUFWPMFBDGECJP-SFHVURJKSA-N 466.603 5.249 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3o2)C1=O)Nc1cccc(O)c1 731306034 JJMWGXXJOFTCNK-QHCPKHFHSA-N 471.538 5.299 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCc2cc(F)cc(F)c2)C1=O)Nc1cccc(O)c1 731310770 PMVFQEKYPDPGRB-QFIPXVFZSA-N 499.514 5.013 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(C)Cc2ccc(Cl)cc2Cl)c1=S 732455083 CHAANRQOZOAZGY-UHFFFAOYSA-N 454.471 5.025 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1ccc(SC(F)F)cc1 745724806 XPVFWPWRTLNQSE-UHFFFAOYSA-N 457.546 6.724 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 746664304 MMIWKLINPGFJTI-ADKFBQBXSA-N 496.658 5.356 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cc(C)ccc1F 746694030 KTFHILQBHRFPQX-NRFANRHFSA-N 475.561 5.050 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c1 746695309 DWFLMRRONNNASJ-OAQYLSRUSA-N 471.598 5.218 30 20 JKED COc1ccc(/C=C2/CCOc3ccc(I)cc3C2=O)cc1OCCCC#N 747361326 KOQPVYHXUWZTDU-VBKFSLOCSA-N 489.309 5.031 30 20 JKED CCn1c(-c2cc(-c3ccc(C)cc3)nc3ccccc23)nn(CN(CC#N)C2CC2)c1=S 747789465 ZHTLVFFAWOMGJV-UHFFFAOYSA-N 454.603 5.570 30 20 JKED C=CCN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)Cc1cc(Br)ccc1F 749251427 XQWZYNPZOSQLJL-MRXNPFEDSA-N 458.356 5.062 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n(C2CCCCC2)c1C 761182972 XNQFCEUTGVXOPH-KRWDZBQOSA-N 484.578 5.053 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)c3ccccn3)C2=O)c1 838592681 TWMWDHHJZUEPMU-SBUREZEXSA-N 494.567 5.698 30 20 JKED N#Cc1ccc(Br)c(CNc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1 864009747 STQICJHMBFFHAR-UHFFFAOYSA-N 460.375 5.455 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCc1cscn1)C(=O)Nc1sc2c(c1C#N)CCC2 875248123 MYEPSPYURVWIMW-CYBMUJFWSA-N 469.613 5.041 30 20 JKED CC1(c2nc(-c3ccc(N4CCCCC4)nc3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 904428083 LEHARNZWUDHSRW-UHFFFAOYSA-N 462.985 5.205 30 20 JKED CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(c3nc(-c4ccccc4OCc4ccccc4)no3)C2)C1 904464012 AFNMEHHEXDHZPP-GTXVHKGBSA-N 486.572 5.570 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(-c2nc([C@H]3C[C@H]3C)no2)ccc1Cl 904819795 SKYZCDYGCBWJLM-HIFRSBDPSA-N 464.374 5.548 30 20 JKED 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N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)[C@@H]2c2cccnc2)cc1 1811889654 QKJAFHIQYJITHI-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1812592356 UCYOLWFXQSREPX-MFSJNOQSSA-N 472.614 5.081 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1813062503 YJCVDCAQBCPLKK-PXDATVDWSA-N 466.025 5.219 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1813757872 NAOPIWAPYMBRSK-YWEHKCAJSA-N 487.720 5.330 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@H]2c2cccnc2)C1 1813953792 MCXXMIWABWDTCC-AHKZPQOWSA-N 451.570 5.034 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)[nH]n1 1814440176 MYEKLZFWWPETIY-KRWDZBQOSA-N 464.397 5.410 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)c1 1814739636 ZOXFNKAYNRYRIJ-JOCHJYFZSA-N 497.933 5.152 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C(F)(F)F)cn2)n[nH]1 1815906579 TUUBRKDEIKNOAF-FPOVZHCZSA-N 489.542 5.217 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1816462769 FCCBGRPGDQKPIV-HXUWFJFHSA-N 493.995 5.753 30 20 JKED Cc1ccc(COCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1C 1818139266 GYIZNBJPMLVXLA-LVXARBLLSA-N 499.615 5.176 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)nc2ccccc12 1818657812 FTTXQSFBZIBDPV-NIYFSFCBSA-N 492.583 5.513 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3nc(C)ccc3c2)n[nH]1 1818674903 DTUUPAYSRUGNOZ-QHCPKHFHSA-N 459.594 5.565 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1819307517 IEIIGFXGOSFEQK-CVDCTZTESA-N 498.587 5.620 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n[nH]1 1821082963 GJJQKSUZXNYVFN-MRXNPFEDSA-N 474.405 5.085 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126068 HPDBHGOZPHIKCK-AEFFLSMTSA-N 488.963 5.342 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)[nH]n1 1822579601 HUJSRAWGZKSTHE-SVEHJYQDSA-N 486.616 5.310 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1822581976 FCBSPDFHEJMAMM-LJQANCHMSA-N 480.918 5.581 30 20 JKED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1cccs1 1822709993 OKPTUHQRZPIZNJ-IFXJQAMLSA-N 467.982 5.106 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c1Cl 1823183959 QWMTURLIBIHNNA-NRFANRHFSA-N 461.953 5.057 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1ccc(F)c(C(F)(F)F)c1 1823298383 KJAYXWWUFRWGIS-HNNXBMFYSA-N 480.384 5.216 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CCCC3)[nH]n2)CCC1 1823380947 VABMZBSJLCYIKB-OAQYLSRUSA-N 480.012 5.261 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)CC2)c1 1824649730 NVIJWNFJHZFVNF-FOVJLYNBSA-N 471.592 5.372 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccns2)CC1 1825678570 PMPPHXOWVGHHAQ-SANMLTNESA-N 483.637 5.090 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826510843 IBLDPOVRUZXCKG-QHCPKHFHSA-N 462.556 5.061 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1827356547 XCGVZDKXKPVAHJ-XMMPIXPASA-N 497.561 5.414 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1827855455 YDZRFOSKRVFDOC-NRFANRHFSA-N 491.485 5.165 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828580766 LIULILRFYGPTTM-NVQXNPDNSA-N 463.622 5.178 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccoc3c2)CC1)c1ccccc1 1829032134 DTBOXPRGSMBNBZ-VPUSJEBWSA-N 483.612 5.258 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1829180756 NOKXGDXNNXFKSR-QFIPXVFZSA-N 499.442 5.126 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c1Cl 1829693212 XFMSTTMHZGCCDE-OZGZLMSGSA-N 468.041 5.415 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)c1 1829779924 KTSVFFHJZQZMPA-RUZDIDTESA-N 495.583 5.175 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3Br)CC2)c1 1829950508 JBXDDBNKSVBZDW-QHCPKHFHSA-N 498.396 5.007 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)oc2ccccc12 1830360962 VALZLJUZHQLLSU-VWLOTQADSA-N 487.575 5.228 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1830606966 WEFHOGLXJIPOSM-RDPSFJRHSA-N 483.653 5.479 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3Cl)CC2)cc1 1830631447 GHCPWLMOUOKNTE-NRFANRHFSA-N 456.011 5.015 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3F)CC2)ccc1Br 1830687435 VHTFQYFWMUAWAA-QHCPKHFHSA-N 498.396 5.007 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1831001446 PAQKRJZFVYQTKS-LADGPHEKSA-N 481.587 5.515 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1831372753 JKZYAOYTBJKKOX-HRAATJIYSA-N 476.543 5.027 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1831375222 QMQABKJSWYWNTI-URXFXBBRSA-N 473.617 5.669 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1831444889 YQPHZBGHJKUXPI-HSZRJFAPSA-N 473.539 5.266 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1831447694 OZSQTTSIIQSDEI-PVOYRIJTSA-N 469.576 5.321 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)cc3)CC2)c1 1831691483 ZRIZAQJXZRGPDE-IDISGSTGSA-N 475.608 5.319 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831744870 HJBKLHXESCXGSR-AREMUKBSSA-N 468.707 5.432 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1831851610 NIJSXFUTFMOUCY-NDEPHWFRSA-N 494.639 5.334 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1832028434 OFCITPIBAYOABO-FQEVSTJZSA-N 452.517 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3)CC2)c1 1832633902 GBZHDDLYDCOFKR-WXVAWEFUSA-N 457.618 5.180 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3Br)CC2)CCC1 1832786603 JZTMQGXEPYXUOW-LJQANCHMSA-N 492.845 5.030 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1)C(F)(F)F 1832799993 JABILUJNYQGSPU-BZSNNMDCSA-N 468.482 5.093 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1834460174 ZLJGQKPPOYIZTG-LXFBAYGMSA-N 479.709 5.156 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)c1Cl 1844736105 QLIFZQJMLQLDJS-UHFFFAOYSA-N 491.925 5.288 30 20 JKED C#CCCCCC(=O)N1CC2(CCCN2C(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C)C1 1845227304 HTJDAJIJTIPMFZ-QHCPKHFHSA-N 489.701 5.027 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1Cl 9826050 HSMBSICUGIGQAK-UHFFFAOYSA-N 477.417 5.197 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174121 BEPKQYXYAJJTAG-UHFFFAOYSA-O 496.481 5.268 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1 10174229 VHEPMTFFGVUXEH-UHFFFAOYSA-O 486.060 6.832 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(CO)c2)cc1 10179298 OCNKIDCQNJNTPU-UHFFFAOYSA-O 474.433 5.948 30 20 JKED C=CCn1c(SCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)nc2ccccc21 12046121 QLNFUMCVSUCWLX-UHFFFAOYSA-N 479.993 5.209 30 20 JKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1ccccc1C(F)(F)F 15806194 VISLGGYXMLAHNG-HNNXBMFYSA-N 470.472 5.912 30 20 JKED C=CCn1c(SCc2nc(-c3ccsc3)no2)nnc1-c1ccc(Br)cc1 16832781 UEFMEKFWEZPFPV-UHFFFAOYSA-N 460.382 5.297 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Cl)s2)nnc1-c1ccc(Br)cc1 18773221 GOLJZAWFKWSWNE-UHFFFAOYSA-N 497.871 5.359 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)c1 21227518 PXZMAQXWLXAGIA-IBVKSMDESA-N 461.635 5.010 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)CCc2ncc(-c3ccccc3Cl)o2)ccc1Cl 21789129 PXIMTGIUNWKBEB-UHFFFAOYSA-N 486.355 5.380 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)nnc1-c1ccc(Br)cc1 22040984 SRCRXFOHQMEGFV-OAHLLOKOSA-N 489.414 5.172 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22693076 USZUVLJLXOKQRT-UHFFFAOYSA-O 467.680 5.687 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc3ccccc23)cc1 22693256 QPCMZVMNSZLBCL-UHFFFAOYSA-O 475.584 6.754 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2CC)cc1 22733120 FZDCVGGGVMJHER-UHFFFAOYSA-O 474.433 6.293 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 24844074 CEDAVTROBBKXIB-UHFFFAOYSA-N 471.373 5.219 30 20 JKED COc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCC[C@@H](C)C4)cs3)s2)cc1OC 28677926 IZJXEFAEZANTEW-CQSZACIVSA-N 472.636 5.460 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)c2)c1 32291794 OZWSZFPUCQGIOR-MUUNZHRXSA-N 475.548 5.117 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccc(OC)cc2OC)n1 32785287 SPEXSTOQPSOCBA-UHFFFAOYSA-N 464.616 5.488 30 20 JKED C=CCN(C(=O)CCc1nc(C(C)(C)C)no1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 106205840 NSSRJWHNMOJPGS-UHFFFAOYSA-N 465.406 5.949 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cnc(-c4ccc(C)cc4C)s3)nc2C)n[nH]c1=S 116196281 PIKMIECFDDIJMZ-UHFFFAOYSA-N 468.633 5.551 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)NCC#Cc4cccc(C(F)(F)F)c4)CC3)c2c1 195634723 KYDOXFBCBZLXLT-UHFFFAOYSA-N 455.480 5.136 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 303157363 OUBJPBNOBOZEEW-DQVLVPHSSA-N 470.038 5.895 30 20 JKED C=CCn1c(SCc2nccn2Cc2ccccc2)nnc1-c1ccc(Br)cc1 497319905 SHLOSIXWGNPXCQ-UHFFFAOYSA-N 466.408 5.431 30 20 JKED N#CCc1ccc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 500381989 SQLXRJZPMFEAQL-CYVLTUHYSA-N 454.511 5.840 30 20 JKED N#Cc1cn(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2c1=O 502819179 AYUCGBITJDSCLT-DEOSSOPVSA-N 462.336 5.086 30 20 JKED N#Cc1ccc(N2CCN(Cc3nc(O)c4c(-c5ccccc5Cl)csc4n3)CC2)c(F)c1 507204274 KGKLAMAZWGHVIU-UHFFFAOYSA-N 479.968 5.050 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 508268361 QWFHXEIUMGBTFL-UHFFFAOYSA-N 485.462 5.760 30 20 JKED C=CCn1c(SC[C@H](O)COCc2cccs2)nc2cc(-c3ccccc3)sc2c1=O 508582070 KWYQYNGRPXFBSW-QGZVFWFLSA-N 470.641 5.042 30 20 JKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CC2)c1 510609667 RMZSTDIYHRBGAG-UHFFFAOYSA-N 479.631 5.394 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 511087441 XMBIACMPXCXTDN-UHFFFAOYSA-N 458.905 5.387 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccnc(OC3CCCC3)c2)cc1 511423643 XYUQNECHYRGLIQ-UHFFFAOYSA-N 456.546 5.370 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 514425327 SCJPUCKHPLSDLY-UHFFFAOYSA-N 454.530 5.825 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1nc2cc(Cl)ccc2s1 515540345 LWUPGFWHPINEOC-NQIIRXRSSA-N 473.941 5.382 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2Cl)c1 518690522 OGSLVWYMQLIOEC-JOCHJYFZSA-N 473.960 5.282 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 519442522 OMWHBUMECBSARX-KRWDZBQOSA-N 463.990 5.514 30 20 JKED N#C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1cccc(Cl)c1Cl 519485079 CPZQEMBNRBHJFP-RTWAWAEBSA-N 486.786 5.889 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nnc1-c1ccc(OC)cc1 520355640 FYIYSTFIAOGIBY-UHFFFAOYSA-N 483.391 5.850 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 520785768 KBSKGOGCUMZUQG-UHFFFAOYSA-N 484.419 5.661 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 521495143 MNUXZFQBLZXFEF-UHFFFAOYSA-N 484.533 6.275 30 20 JKED CC(C)C(=O)Nc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 522345927 RCSHMQFUSGYGGS-UHFFFAOYSA-N 458.537 5.204 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1OC 598067700 KMKKAJZJELDABR-FQEVSTJZSA-N 475.618 5.184 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)cn2)c1 603622855 ILEYDBNYSBQNCI-OAQYLSRUSA-N 481.339 5.296 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(Cl)cc1 604136320 ADNSQNUCTRDSDA-RUZDIDTESA-N 475.976 5.437 30 20 JKED COc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604476655 VMANVNQGHNURSW-KRWDZBQOSA-N 477.948 5.089 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc2cc(C(F)(F)F)ccc2s1 604523488 YDUAZAMSGYIXEL-ZDUSSCGKSA-N 474.445 5.837 30 20 JKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609061372 PUNQHQNCHLBDNU-HHHXNRCGSA-N 491.547 5.639 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 609107520 NJILCYQFOJVKOS-UHFFFAOYSA-N 460.968 5.021 30 20 JKED Cc1sc2nc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)nc(O)c2c1C 609164832 XNMWCDLXDWHCAN-IBGZPJMESA-N 476.989 5.894 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 609435359 JHIZNHVDIKSDLC-AWEZNQCLSA-N 462.388 6.179 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 615503893 OGUKHAAEBPBNAL-UHFFFAOYSA-N 471.454 6.317 30 20 JKED C=CCn1c(S[C@@H](C)c2ccc(F)cc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 645073702 VAXKAJBKKYSHJT-KRWDZBQOSA-N 474.627 5.154 30 20 JKED O=C(Nc1cccc(C(F)(F)F)n1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 726149370 MFJQSTDQZMYIJK-UHFFFAOYSA-N 468.279 5.576 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 726322006 FAMIKTSPYCCNFJ-MRXNPFEDSA-N 460.481 5.266 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 726391904 CSGZKYIFAXXGLF-DJJJIMSYSA-N 481.952 5.004 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2cccc(COC(C)(C)C)c2)C1=O 726415483 LKFKZCLLMSKZPI-HSZRJFAPSA-N 497.661 5.057 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 726420053 HBHOPEVUKMKWOX-NLQZWXQWSA-N 464.616 5.294 30 20 JKED CCc1cccc[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1ccc(C(C)(C)C)cc1 726572198 RHPHLRZANMBRRE-UHFFFAOYSA-O 460.623 5.341 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(CC)CC)cc2)c1 726573810 QYJSQDUBDBADQZ-UHFFFAOYSA-O 472.590 6.091 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C)s2)cn1 726893491 ZBAZWAZBFRVZDB-NRFANRHFSA-N 494.642 5.237 30 20 JKED Cc1csc(SCc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1 727996684 KPDFGFCDDGUZAP-UHFFFAOYSA-N 485.634 6.755 30 20 JKED C[C@H](NC(=O)COC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Cl)c(Cl)c1 728109391 OZZNEIIBFUXVAU-AWEZNQCLSA-N 473.312 5.071 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2Cl)n1 728422116 BZJKSMWVQAZYJI-JOCHJYFZSA-N 489.988 5.076 30 20 JKED Cc1ccccc1-n1c(-c2ccncc2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728903079 IUPFJGUOOKMJHQ-UHFFFAOYSA-N 482.613 5.146 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C(C)C)cc1 729142787 LJFBXWKDEWCYPM-NRFANRHFSA-N 478.643 5.735 30 20 JKED COc1cccc([C@H](C#N)NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)c1OC 729429966 PQIDXLIFRYDTQO-FQEVSTJZSA-N 463.603 5.578 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(C2CC2)C1=O 730538160 ZHCYBFDCUVXPEW-OAQYLSRUSA-N 455.555 5.046 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 730689999 OYYFPTRQVLEEMW-ZHRRBRCNSA-N 469.850 6.220 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1cocn1 730709360 RDYWVUGGIKRBRE-IBGZPJMESA-N 488.491 5.162 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 730727194 NXYKEWNYIHKGLO-QHCPKHFHSA-N 498.612 5.242 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 731040504 WJYCPNMSVUXCTD-IRXDYDNUSA-N 469.566 5.153 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c12 731070558 IGCWMBISGUNMGW-MRXNPFEDSA-N 486.553 5.246 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1cccc(Cl)c1 731072001 YEBDJKLMRNLLKU-QGZVFWFLSA-N 497.020 5.839 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CCn1c2ccccc2c2ccccc21 731072402 HFPGDWMEEIYZBE-IBGZPJMESA-N 471.582 5.618 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C[C@H]2CCOc3ccccc32)C1=O)NC1CC1 731152681 SRAQYBGSTBOXAL-CLOONOSVSA-N 485.609 5.006 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2cccs2)cc1 731306605 WJCIKBKBXVSAAY-VGOFRKELSA-N 479.627 5.354 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 731332049 BUJMBSRBVLMJBN-KRWDZBQOSA-N 492.066 5.551 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)(F)F)cc3)N(C3CC3)C2=O)c1 746971380 AXNJRIBLYTWTTD-LJQANCHMSA-N 477.508 5.325 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CCCOC3CCCC3)C2=O)cc1 747043427 KAPKIRYXLVBDHJ-XMMPIXPASA-N 490.629 5.176 30 20 JKED Cc1cc(C(=O)N2CCCC2)ccc1N=Cc1cc(Br)cc(Br)c1O 748149367 WMEXEEAOKDRTSZ-UHFFFAOYSA-N 466.173 5.212 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O 750910439 LTSPBKUBFCHAAY-DEOSSOPVSA-N 468.582 5.103 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799218581 BXJLZWPESSZIGI-HNNXBMFYSA-N 459.852 5.002 30 20 JKED COc1cc(OC)c(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 800511728 CYDGIPCIACNEDJ-UHFFFAOYSA-N 496.972 5.317 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 818088589 RPVMPGOJJIXYSX-UHFFFAOYSA-N 474.560 5.974 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837347339 WRKSTPURFIFYBH-MBSDFSHPSA-N 474.586 5.120 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccc3C)C2=O)cc1OC 837530486 JLTYLQIAGQFOTF-DEOSSOPVSA-N 489.597 5.173 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3ccccn3)C2=O)c1 837806638 USJHUZJQINVRHF-AOMKIAJQSA-N 495.004 5.465 30 20 JKED Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 847397235 PNKUAWJHXQRAFV-UHFFFAOYSA-N 475.932 5.004 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)OC[C@@H]2CC)ccc1Cl 857145528 FIUMYWCHHUIQKQ-WMZOPIPTSA-N 497.444 5.014 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCc1ccncc1 912791745 XJAIMMHJAZVGIM-UHFFFAOYSA-N 482.565 5.298 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3cc4cnn(C(C)C)c4nc3Cl)cc2c1C 914773424 HDUDGRUVLYQFGU-WAYWQWQTSA-N 454.939 5.266 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCCCn2c(S)nc3ccccc3c2=O)cc1 915086579 LONMBNAOWHVSNO-DEOSSOPVSA-N 482.609 5.540 30 20 JKED Cc1csc(SCc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C)oc3ccccc23)n1 915100409 QBSRVEAWHCSKHW-INIZCTEOSA-N 458.568 5.867 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 915354013 SSTBPTSJSCQNAW-HHHXNRCGSA-N 493.636 5.815 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)cn2)cc1 916073934 JFFOTJLFXZMMMS-UHFFFAOYSA-N 461.481 5.225 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccco2)C1=O 916205155 HTDFLAQOASRDSI-JOCHJYFZSA-N 481.549 5.368 30 20 JKED COc1cccc(-c2nc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)cs2)c1 916278105 ALWMNTFWBMVYGE-UHFFFAOYSA-N 457.584 5.325 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl 916683723 GNGHPUPWEXSONP-ISKFKSNPSA-N 475.976 5.914 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc2ccccc2n1 916849179 SQXINAUUHALFAE-ROUUACIJSA-N 452.341 5.270 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 916901493 JAWHRGFRPLTWLY-XSHSDMCLSA-N 471.262 5.690 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916913342 PSOCYBWBLSJOGY-MTIYJEKLSA-N 454.370 5.647 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 916914134 WGIYACMSSNHOJJ-QHCPKHFHSA-N 450.498 5.236 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 916948183 DSVCOGHGBPGVPO-MGPUTAFESA-N 462.500 5.114 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc(-c2ccccc2)cs1 917026522 GCMSJMWENYOGKG-SFHVURJKSA-N 469.513 6.371 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3ccc(Br)cc3C2=O)cs1 917560050 GAMNZLRSSIHFLL-OQLLNIDSSA-N 469.360 5.557 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)c1 917663525 RMIURODXGRJGGK-NMMYMHLASA-N 494.636 5.030 30 20 JKED Cc1ccc(-n2nc(CCCNC(=O)c3cc(C)n([C@H](C)c4ccccc4)c3C)c(C#N)c2N)cc1 918573988 KAQARCFHPOXMQS-OAQYLSRUSA-N 480.616 5.025 30 20 JKED CCOc1cc(/C=C2\CSc3ccc(Br)cc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C 920069600 VNVQVOMQWGTEOQ-KNGSKEOJSA-N 490.419 5.075 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 920105849 GJKPGSLTODGFMN-LJQANCHMSA-N 486.915 5.855 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)c1 920109878 UZCQMYDHSXIXJJ-IBGZPJMESA-N 467.294 5.650 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3cccc4cccc(Cl)c34)n2)cc1 920141743 QCFWVNUKJSKPCC-GOSISDBHSA-N 459.983 6.457 30 20 JKED N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2s1 920324421 LGLRXGSOXNYWKD-WEPLFDOESA-N 483.637 5.416 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)cc1 920358060 XSIDCJUPBAYMKQ-QHCPKHFHSA-N 492.601 5.159 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2nnn(-c3ccc(F)cc3)c2C)cs1 920388675 HNCSXSKYMMQEEL-KPKJPENVSA-N 481.940 5.405 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 920868813 MBALYCLQJGIHQU-BFUOFWGJSA-N 498.407 5.375 30 20 JKED C=C(Br)CNC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 921119577 QTJLDQDKRWIALB-UHFFFAOYSA-N 456.262 5.296 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 921137681 QWMNUSVBGQGLSV-MHZLTWQESA-N 494.595 5.116 30 20 JKED C[C@@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 925496716 SJZJCZNQGCLAFR-MRXNPFEDSA-N 458.580 5.187 30 20 JKED COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCN1C1CCCCC1 1729989385 UGBZKJUYTMMRAN-WIYYLYMNSA-N 471.049 5.000 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)C2 1779269472 MKAAEIZPYLXGKR-RMCACMBKSA-N 490.566 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3occ(Cl)c3c2)C1 1780109708 DARXZAMXQXBAII-ATIYNZHBSA-N 473.013 5.206 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)cc2C(F)(F)F)C1 1783062459 HASWANRTJMBSBK-SNYIIPAISA-N 498.973 5.255 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C3(F)CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1785862124 APIPNASGEDDWMA-UHFFFAOYSA-N 499.627 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)cc2)CCC1 1786141335 MBBMORKDICYLBT-LJQANCHMSA-N 471.642 5.274 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1786241668 BIJBMMMMRVSNEH-VQTJNVASSA-N 491.579 5.025 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4cc(F)ccc4Br)cc3)CCC2)C1 1786628630 GBVXWTRUYHDUQR-UHFFFAOYSA-N 471.370 5.231 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3ccccc3Cl)cc2)CCC1 1787804248 KFNXUQQTEDSGNK-GOSISDBHSA-N 455.986 5.208 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)[C@H](C3CCOCC3)CN4)cc2)CCC1 1787948749 UHYSBUYTPOQSRM-IBVKSMDESA-N 487.644 5.582 30 20 JKED Cc1nc2ccncc2cc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650447 BFWSNQMKBCQBLV-MDZDMXLPSA-N 496.592 5.187 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccn5ccnc5c4)cc3)CCC2)c1 1789306439 GDFMXCGXGVWRFG-LJQANCHMSA-N 463.541 5.023 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncncc5c4)cc3)CCC2)c1 1789324144 GVWFIGDRLZMGOW-IBGZPJMESA-N 475.552 5.318 30 20 JKED CC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)cc1 1789510057 WZXIBCOBWNDRLI-UHFFFAOYSA-N 489.692 5.444 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)c(C)n1C 1789977433 HQNSBMDCBWTNLM-UHFFFAOYSA-N 484.600 5.362 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4csc(C(F)(F)F)n4)CCC3)cc2)c1 1790258439 TXKNEMPPAJMNAW-UHFFFAOYSA-N 470.476 5.095 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C)c(C)cc3OC)cc2)CCC1 1790805240 YSEUNGUWIKBIDG-UHFFFAOYSA-N 450.579 5.043 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC(C)C)cc2)CCC1 1791258834 ZUKNKLMZKCGAFE-XHCCPWGMSA-N 469.626 5.026 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)CCC2)cc1 1791299244 YQIAPLBNQHLZOJ-HXUWFJFHSA-N 495.570 5.002 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H](C)CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791728856 BRJRIMIHMBKUGV-BWKNWUBXSA-N 495.664 5.350 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC(F)(F)C4)CCC3)cc2)c1 1792122363 PCGWECHQGCAKEI-FXAWDEMLSA-N 451.517 5.497 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4OCC5)CCC3)cc2)c1 1792123832 RAEVTNYRRMZIJE-LJQANCHMSA-N 465.553 5.310 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(N5CCCCC5)cc4)CCC3)cc2)CCC1 1792233308 BHZBBTHGURTDSE-UHFFFAOYSA-N 456.590 5.118 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc2ccccc2c1 1796514458 KGLNNZQFYVYIIQ-SXPGVMETSA-N 453.586 5.366 30 20 JKED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2-c2ccc(C)cc2)C3)c1 1799285189 ZERPHSSDCQKWEH-QEIWAGNOSA-N 479.580 5.108 30 20 JKED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(F)c1CSc1ccccc1 1799344850 QQVFHFHSSFJOCK-BCDXTJNWSA-N 483.584 5.059 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1F 1799587473 KDKITHCIFPBXOD-BTTYYORXSA-N 488.403 5.429 30 20 JKED O=C(Cc1c[nH]c2ccccc12)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800503484 XRMXALJAELMBLR-OUOZDZGXSA-N 487.603 5.062 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Br)c3)CCCC1)C2 1801696994 GIWVGZLYHSUTHQ-ACDBMABISA-N 495.408 5.111 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCC(C)(C)C 1801831621 ZDGHFAGIZGINAZ-LRSLUSHPSA-N 477.690 5.091 30 20 JKED N#Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)cc1 1802389929 WWOHEUORMMPPJX-MDQYPOFQSA-N 498.671 5.198 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C(F)(F)F)c1C)C2)c1ccc(O)cc1 1802421909 ZXWQMBXQELZRCJ-KJJMTIBFSA-N 498.545 5.168 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Cl)cc(C(F)(F)F)c1 1802462451 RQFGYTBMGNOYDI-ACDBMABISA-N 470.963 5.532 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@@H]1c1cccnc1 1802492247 MIWJRKUAFOUELR-XUZZJYLKSA-N 462.638 5.086 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)oc2ccccc12 1802963344 OAFFBDMYYLGKFZ-WXVAWEFUSA-N 497.982 5.161 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)C3)c1 1803684220 GZXDEGCDCVNBPB-PPRPKMEESA-N 489.925 5.551 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C2(C(F)(F)F)CCC2)[C@@H]1c1cccnc1)c1ccccc1 1806973433 GUJJOCNHYZNQMS-HJOGWXRNSA-N 497.561 5.017 30 20 JKED CC(C)=CCCC(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1807996951 IPFKWFSHFCLXCK-HYBUGGRVSA-N 484.522 5.038 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)oc2ccccc12 1809169097 FKGNWVGTZRSHCT-WMEMMNBJSA-N 492.579 5.397 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)cccc3[nH]2)[C@H]1c1cccnc1 1809805150 NPUSMDYJYMVQPZ-SQJMNOBHSA-N 458.606 5.183 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccnc1 1811103801 QOWHPTVSJJNJIN-UTKZUKDTSA-N 475.420 5.095 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1811304894 RGPFXJIJGAAYKV-KDYSTLNUSA-N 482.609 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1811459504 LQNBKQCYDVRSFL-GEQKSPFYSA-N 490.406 5.616 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)[nH]c12 1811741733 BOABODSZEJMDLU-LVXARBLLSA-N 497.986 5.030 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c(Cl)c1 1811748862 DQHAEMMDTLOXGK-JYFHCDHNSA-N 484.987 5.117 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1811886945 AFJVGNCJSPNBGC-GVQBMFDGSA-N 480.612 5.103 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@@H]2c2cccnc2)CC1 1811945005 TZMDYJGYFCZKJT-UFUIAINPSA-N 472.633 5.188 30 20 JKED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1813042696 JWMFTDMKOBGDJR-OWHZGTRUSA-N 491.682 5.012 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCCCCCCCCC(=O)OC)[nH]n2)C1 1814397995 GMENJZFXSMZISO-HSZRJFAPSA-N 486.657 5.442 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[nH]n1 1815656169 JRLIRUZAEQOGEZ-OXJNMPFZSA-N 494.583 5.230 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)[nH]n3)c[nH]2)cc1 1816101475 HRSUSPGDKBRNSV-RUZDIDTESA-N 478.556 5.205 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)ccc2n1 1818115996 RAOWJHLHCYRABJ-VDZCTEQFSA-N 499.596 5.073 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)n[nH]2)cc1 1818931677 SHPRQVBETAMQOP-NQRVTCLYSA-N 459.594 5.194 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3c2)n[nH]1 1819129807 OWOJJNRVUDIUKC-HXUWFJFHSA-N 494.393 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)[nH]n1 1819307188 BTPXPLOTBWDDIH-XLIONFOSSA-N 497.596 5.424 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2ccco2)[nH]n1)c1ccccc1 1819521477 UOVGDBVDNYVJMJ-OPHFCASCSA-N 472.589 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)[nH]n1 1819556928 QINQQBJEKZQCLJ-LJQANCHMSA-N 491.007 5.438 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccnc4ccccc34)[nH]n2)c(Cl)c1 1821278627 VMQBRIOQFHPVET-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821287331 TZTNHTUCSKQWSZ-SFHVURJKSA-N 483.371 5.144 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)c2s1 1823215480 SUDGKQCRZVHRPU-WAIKUNEKSA-N 498.612 5.575 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccccc3)[nH]n2)c1 1823217184 REKYLTWDOIWXKQ-FHJKJHCTSA-N 467.573 5.146 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(Cl)cc1 1823978039 SWHDPQLLORPWJC-FNZWTVRRSA-N 478.036 5.443 30 20 JKED O=C(c1cc2[nH]ccc2s1)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055205 GBZHTQUXABZBIO-JOCHJYFZSA-N 480.033 5.168 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)CC1 1825889239 OQQBOICUAJKOIH-OAQYLSRUSA-N 465.560 5.326 30 20 JKED Cc1ncsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1825995741 WPJPPVUMEFZKEE-MHZLTWQESA-N 497.664 5.398 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1)c1cccs1 1827682776 LEPPWSZEWSHBLZ-UPWIVDSGSA-N 493.604 5.041 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc4ccoc4c2)CC3)c1 1827700268 IZSILUPGYHZAPF-YWZLYKJASA-N 470.554 5.056 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)CC2)C1 1828166047 FKBVFEBXEKCHOK-FQEVSTJZSA-N 457.039 5.754 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(CC)CCC2)CC1)NC(=O)OC(C)(C)C 1828479023 RQYMUGJCXWYVLR-GOTSBHOMSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(F)cc2F)CC1 1828820748 DMWRMFHPWDFSDL-ZIDCQCFHSA-N 456.577 5.366 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC(F)(F)F)cc3Cl)CC2)C1 1829657167 LLKZTYHDAOCZER-QFIPXVFZSA-N 498.973 5.481 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CC1 1830685216 CQYBFHUDNRYBQX-YKSBVNFPSA-N 498.465 5.300 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830750467 WTAGUCHYARXIMR-AREMUKBSSA-N 459.565 5.122 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1831445540 CAFNKDWBAWBWOH-NRFANRHFSA-N 463.956 5.266 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2C)CC1 1831851927 GFMMISRKDBHIJL-HSZRJFAPSA-N 498.465 5.276 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)c1Cl 1832603602 SJSIIPYQJVIHRF-XMMPIXPASA-N 481.999 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)c1 1841569059 CNVZGBAAJDHVCS-LJQANCHMSA-N 483.534 5.172 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C#N 10711137 OTZCAYKTYFDMBL-UHFFFAOYSA-N 469.872 5.020 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760681 AJJWMSZTVCSTSV-UHFFFAOYSA-O 488.992 5.111 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccccc1Cl 10826654 LKLVCGVCFJNCDO-UHFFFAOYSA-O 452.043 6.538 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1cccc(Br)c1 11084482 GGBIJZXHFHQJSE-UHFFFAOYSA-O 485.383 5.258 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n(C2CCCC2)c1C 11182238 GEMPDOTXYAKEOM-UHFFFAOYSA-N 466.519 5.010 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 11262066 INEPXSNPIGWHJV-UHFFFAOYSA-O 487.670 6.303 30 20 JKED C[C@@H](OC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 14402596 ICMQFOVYQDOQCI-MRXNPFEDSA-N 463.559 5.047 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)c(F)c1 14702205 OHYJFQASDXRJRZ-UHFFFAOYSA-N 456.502 5.699 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc(C)c(C)c2c1=O 17652936 DRURMEBECRPAMA-ZDUSSCGKSA-N 469.548 5.072 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 18890447 TYDLAGIFMCOHSG-UHFFFAOYSA-N 489.062 5.170 30 20 JKED Cc1cccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)n2Cc2ccco2)c1 22045988 XKXUSBAMZAZWQO-HXUWFJFHSA-N 471.586 5.322 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)NCc1ccc(OC)cc1 22692699 BCJKQKWNVBQOCU-UHFFFAOYSA-O 461.651 5.571 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)s2)cc1 22725141 DGWNMBSXLVXRBK-UHFFFAOYSA-N 478.603 5.252 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc3c(c2)CCCC3)s1 22733480 CIHGWEBABXHRAW-UHFFFAOYSA-O 465.620 5.045 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)n(Cc2ccc(F)cc2)c1C 24718147 WKVGOPXJKWQJLU-UHFFFAOYSA-N 479.512 5.084 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc12 30613539 MPLRABBZWBORKU-UHFFFAOYSA-N 467.348 5.110 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2)c1 32290230 HASYFOKCDDIGJC-UHFFFAOYSA-N 459.505 5.244 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccccc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 33530773 YJAPIZZQDIFRHI-NTMALXAHSA-N 461.470 5.335 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 59326933 YQGNDUDJVMVHII-HXUWFJFHSA-N 475.589 5.295 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CC)ccc1Cl 69143035 YPVAFUDXYKIYKF-GOSISDBHSA-N 481.445 5.779 30 20 JKED C=CCN(C(=O)c1cccc(CN2CCCC2=O)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 105040311 ISIXCEKIVNTFIB-UHFFFAOYSA-N 486.424 6.072 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 105750857 HYYCQIIWWFDAPP-UHFFFAOYSA-N 462.406 5.339 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1)c1ccccc1 110898846 SNNDXOVAJLRAMK-XMMPIXPASA-N 451.979 5.334 30 20 JKED N#Cc1ccc(-n2c(SCc3ncc(-c4ccc(F)cc4)o3)nc3ccccc3c2=O)cc1 253614223 AQHBLHFMWQWXJB-UHFFFAOYSA-N 454.486 5.344 30 20 JKED CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 302932240 HBVOCEYOLPJVCR-UGKGYDQZSA-N 451.979 5.450 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)cc(OC)c1OC 302944472 IOCWTWHORKLLNP-INIZCTEOSA-N 456.970 5.353 30 20 JKED C=CCn1c(SCC(=O)NC2CCOCC2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 303217811 UBVXKETYUCOALD-UHFFFAOYSA-N 499.640 5.042 30 20 JKED N#C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc(OCc2ccccc2)cc1 303244310 LEYOYYOKRDPNJO-WDYNHAJCSA-N 488.543 5.714 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2cc(F)ccc2n1CC 409756857 ZSRLLKLMEDEEQL-UHFFFAOYSA-N 457.962 5.498 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)c2)c1 409794562 UZJRHXQEZRAZHK-RCZVLFRGSA-N 454.530 5.100 30 20 JKED N#CC1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(Br)cc2)CC1 488692426 BTFGDZIFALXBLY-UHFFFAOYSA-N 482.300 5.434 30 20 JKED CCOc1cc(CN(C)C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OC(F)F 496628964 KFESMJQMYPDFOL-UHFFFAOYSA-N 482.531 5.353 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1Cl 501448022 JCLQGRRHRXDMQR-UHFFFAOYSA-N 477.417 5.592 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 501775190 GLEDDMJVVMKEQL-UHFFFAOYSA-N 475.545 5.708 30 20 JKED CC(C)[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc2ccccc2[nH]1 503693723 CMAMEEGJKVTFEG-RUZDIDTESA-N 453.546 5.727 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@@H]3c3nc(-c4ccccc4)no3)o2)cc1 505330869 MVDBJLVWPXTPHY-JOCHJYFZSA-N 454.486 5.148 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1OC 508104046 PUQABWGFHHDQEE-DEOSSOPVSA-N 492.417 5.788 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 508293067 QNIQDWRLRIEQCT-QFIPXVFZSA-N 460.534 5.301 30 20 JKED CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C#N)cc1 509600216 LARJGNOUVUUZBL-HXUWFJFHSA-N 479.540 5.471 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1Cl 510024703 WJWJQWFXWSDNLP-JOCHJYFZSA-N 469.976 6.283 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cc1 511385791 VPOJMZZODWFJJZ-LJQANCHMSA-N 459.546 5.073 30 20 JKED COc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1NC(=O)c1ccc(Cl)cc1F 511523831 VUOSMQYDDCYAJE-UHFFFAOYSA-N 466.900 5.276 30 20 JKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1nc2ccccc2o1 513362951 FUZZXZFRMWJAGM-AWEZNQCLSA-N 458.314 5.200 30 20 JKED Cc1nc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)sc1SCC#N 514577620 KNYOCTMJRJFXGB-GOSISDBHSA-N 471.007 5.221 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1nc(-c2ccccc2)cs1 515542333 UNKWSCLZXDRSFQ-XUZZJYLKSA-N 465.534 5.242 30 20 JKED C=CCn1c(SCC(=O)Nc2sc(CC)cc2C#N)nnc1-c1ccc(Cl)cc1Cl 515710864 AOKLCRBNPFSEKT-UHFFFAOYSA-N 478.430 5.664 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc4c(cnn4Cc4ccccc4)c3)n2)cc1 516270035 KWQBEWVMCJBVDJ-QFIPXVFZSA-N 465.538 5.102 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(OC)ccc(Br)c4[nH]3)n2)cc1 516270095 MWFPLSLGTJEWLK-OAHLLOKOSA-N 482.359 5.561 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccc(OCc3ccccc3)cc2)cc1 516306140 HVNLDIQENARUAR-UHFFFAOYSA-N 477.520 5.184 30 20 JKED N#Cc1ccc(NC(=O)CNc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1 516367203 DNOJMYJRUFTXNY-UHFFFAOYSA-N 456.399 5.019 30 20 JKED COc1cccc(C[C@@H]2CCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 516452633 DNWBOBULSMXMJK-DHLKQENFSA-N 487.987 5.176 30 20 JKED COc1cc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(OC)c1OC 517094653 BIUIWHQJFCGESA-KRWDZBQOSA-N 462.571 5.367 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)n1 517923814 LAMMWHVCHNQZQS-NRFANRHFSA-N 484.581 5.339 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 518698523 XDUXYMZSBNMMOY-KRWDZBQOSA-N 486.355 5.527 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)Cc2cccc(Br)c2)cc1 519255432 KWKIIBRREBOFEP-QGZVFWFLSA-N 456.384 5.016 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 519874969 DNTKCASZQYKYMU-UHFFFAOYSA-N 486.322 5.061 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 520928040 FOTTZOPMYXSLRH-QGZVFWFLSA-N 451.621 5.318 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC1CCCC1 520937901 LFHZBJVQGWUQQZ-ZWKOTPCHSA-N 453.608 6.294 30 20 JKED C[C@H](SCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccc(Cl)cc1 521024101 LUSLTBOTDMPUOY-LPHOPBHVSA-N 458.027 5.504 30 20 JKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2cc(C)nn2CCC#N)cc1 523660543 DZOFGAOCFBSGHE-JZJYNLBNSA-N 463.541 5.401 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 524388709 UTNZUCZUXWXJSS-UHFFFAOYSA-N 486.553 5.237 30 20 JKED CC(C)(C)c1csc(CCNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)n1 552473276 VTOXBWCEVUSXKE-UHFFFAOYSA-N 478.643 5.016 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 553319626 UOCBIQNXSRZAGD-CQSZACIVSA-N 486.519 5.581 30 20 JKED C[C@@H](C#N)CN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 561493934 MOYJYMIXQYRFIC-HNNXBMFYSA-N 474.417 5.010 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)c1 589382937 PJUSILIETVJCGQ-UHFFFAOYSA-N 457.324 5.532 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(OCc2cccnc2)cc1 603689363 IUPIXYJXJWNUIU-LJQANCHMSA-N 465.513 5.602 30 20 JKED CCOc1ccc(-n2c(SCC(=O)N(CC)C[C@H](C)C#N)nnc2-c2ccccc2Cl)cc1 603901567 HNSOLDMYJWEXKY-QGZVFWFLSA-N 484.025 5.087 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 604084735 GEXHWEXVRKOTPW-LJQANCHMSA-N 450.882 5.234 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)Nc3sc(C)c(C)c3C#N)cc2)cc1C 604110221 IYYDROLFQAYLJS-GOSISDBHSA-N 497.642 5.085 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCn2ccc3ccccc32)cc1Cl 604135125 GXGWVOFECVBYLT-QHCPKHFHSA-N 470.960 5.095 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C(c1ccccc1)c1ccccc1 604141391 JGEOHFUCOYUHBR-FQEVSTJZSA-N 476.536 5.021 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1C 604450759 XZXZBVODDSIJDI-UHFFFAOYSA-N 462.513 5.392 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3cc(C#N)ccc3OC(F)F)c2)cc1 609082213 GKWYOIYOJGRFDF-UHFFFAOYSA-N 450.445 5.042 30 20 JKED COCCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1OC 609151837 QIJVBCXBJUHRQB-UHFFFAOYSA-N 495.919 5.001 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1Cl 609370579 FWWBDUCGJXNGNP-HNNXBMFYSA-N 458.012 5.354 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H]1c1ccc(OC)cc1 609376977 MRHYYRAIMLRGEQ-DHTSOJEISA-N 465.619 5.275 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cccs2)cc1 609436126 VHQSFVGFLQONDH-MHPIHPPYSA-N 491.682 6.500 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc(-c3ccco3)nc21 613405029 TXZIUXLUKMNWTE-OAHLLOKOSA-N 495.486 6.391 30 20 JKED O=C(Cc1cccc(C(F)F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518068 VJOZWGRFIKMWSD-QGZVFWFLSA-N 467.356 5.804 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C)cc2C)cn1 726117067 QPEIRCUWJZWPQL-XMMPIXPASA-N 489.645 5.297 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1F 726412762 UBTCBMMWPANZPC-HXUWFJFHSA-N 487.553 5.195 30 20 JKED FC(F)(F)c1cccc(CNC(=S)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 726457033 NLVCPDDGMZIYDR-ITGUQSILSA-N 452.386 5.579 30 20 JKED C[N+](C)=c1ccn(/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C(C)(C)C)cc2)cc1 726570499 BNUBJHWFIFMNCH-UHFFFAOYSA-O 492.068 5.666 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)n1C 726571636 ZUUSAOHPUTZLIX-UHFFFAOYSA-O 478.041 5.657 30 20 JKED CCc1c(C)sc(NC(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)c1C#N 727790595 LQJXFXCIZAAYIK-CSKARUKUSA-N 451.548 5.335 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 728110258 XOGFYMOIIQZSDM-CYBMUJFWSA-N 459.285 5.221 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1 728181770 BAYMIAIVGRECOM-UHFFFAOYSA-N 456.611 5.134 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 728390406 KJEBGASDVCSDLL-OPAMFIHVSA-N 458.949 5.397 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)NC(C)=O 728412782 WLAYNZMBBSGHLZ-DLBZAZTESA-N 475.492 5.158 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 728423107 PDFPDSVIKCVGEJ-ZHRRBRCNSA-N 489.988 5.328 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)Cc1ccco1)c1cccs1 728429004 DUUCXKCPSZDUAM-VOPMPAGFSA-N 492.626 5.234 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nnc(-c4cccs4)n3C3CC3)n2)cc1 728769360 GQDZYXLABMKSES-QGZVFWFLSA-N 493.639 5.442 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 729146685 WEKZQDFFBPQKNZ-GOSISDBHSA-N 490.532 5.029 30 20 JKED C=CCn1c(SCC(=O)c2cc(C(=O)OC)co2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 729152489 HPMBOXLZXOJPQC-UHFFFAOYSA-N 498.557 5.113 30 20 JKED C=CCn1c(SCC(=O)OCc2sc(C)nc2C)nnc1-c1ccc(Cl)cc1Cl 729654454 NPZZZLRDHJDPGV-UHFFFAOYSA-N 469.419 5.347 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2cccc(OCc3ccccc3C#N)c2)NC(=S)N1 731339101 OPHGAQQGVRSUPM-HHHXNRCGSA-N 496.636 5.692 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(Cl)c2c(c1)OCCCO2 744711159 PENRJWJZXZGMED-UHFFFAOYSA-N 486.380 5.784 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S 745162302 LVISZJYPLHICRC-UHFFFAOYSA-N 452.587 5.042 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 745625556 BNKOVSMFBNGAEG-HJWRWDBZSA-N 475.854 5.706 30 20 JKED COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C#N)ccc3OC)CCC(=O)N2c2ccc(C)cc2)cc1 747406207 YIXDIOUIYHFGAK-HOFKKMOUSA-N 469.541 5.007 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cscn3)C2=O)c1 747601840 IDRIGJIRDBOLGU-HXUWFJFHSA-N 468.579 5.060 30 20 JKED CCn1nc(C)c(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)c1C 750913358 LWFJFEYPFCQKRS-BENRWUELSA-N 467.953 5.095 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3cnc4ccc(Br)cc4c3=O)s2)cc1 767307220 DVEKDTXJNCOZJX-UHFFFAOYSA-N 474.771 5.203 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccc(F)cc1 799219198 PEONNFXMQBOZHP-QGZVFWFLSA-N 484.767 5.379 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@H](C)c3cccnc3)C2=O)c1 837284243 KUDNTKNQOMFTKC-QPPBQGQZSA-N 486.641 6.037 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccs3)C2=O)c1 837834634 BUQAPIVMFXBRLA-OAQYLSRUSA-N 465.600 5.226 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@H](C)c2ccccn2)cc1 837913084 PYTPLVZEYBCVFZ-HOYKHHGWSA-N 488.613 5.374 30 20 JKED O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 897610215 LFIOQALJPYEKNL-UHFFFAOYSA-N 480.271 5.349 30 20 JKED CCc1cccc(CC)c1Nc1nc(Cl)c(C=Nn2c(SC)nnc(C(C)(C)C)c2=O)s1 912828351 GPXYTTJZBSAJAT-UHFFFAOYSA-N 491.086 5.518 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913119468 ODWHICFDJUERFI-HXUWFJFHSA-N 490.988 5.198 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(NC(C)=O)c1 913120332 GYHBZFGCBGCKSL-GOSISDBHSA-N 491.400 5.098 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N(C)Cc2cccc(C#N)c2)c1=S 914449762 JLBAZKNTWAXBEH-UHFFFAOYSA-N 468.026 5.455 30 20 JKED Cc1csc(SCc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)n1 915088420 QHCFDLXPENSNDA-DEOSSOPVSA-N 455.608 6.652 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915107309 ORIHLYNGIQXMCX-SFHVURJKSA-N 458.472 5.053 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1 915750523 RBIVYMFYGCLNPJ-WNJJXGMVSA-N 485.543 5.933 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 915892503 YXCGSNVGXYKMHQ-RUZDIDTESA-N 451.574 5.079 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2cnc(N3CCCC3)nc2)C(=O)c2ccccc2)c(Cl)c1 915988268 SQBOSLBPCNEBQG-STZFKDTASA-N 460.965 5.252 30 20 JKED Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916056814 INWDAAYPLQUYRF-YGPNGPECSA-N 472.911 5.066 30 20 JKED COc1cc(/C=C/C(=O)c2ccncc2)ccc1OCCOc1cccc(Br)c1 916136048 FKLALPYSYDLFIV-FNORWQNLSA-N 454.320 5.207 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O 916204434 FRHIMDVVEXXUFF-QFIPXVFZSA-N 479.005 5.246 30 20 JKED CCCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2Br)cc1OCC 916349452 LWXHHKKGJFYUHI-UHFFFAOYSA-N 461.385 5.066 30 20 JKED CCOC(=O)C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(OC)c1 916680074 DHCLQUQDEWUIRT-LOSJGSFVSA-N 457.530 5.167 30 20 JKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 916886619 IPEPMFJXKJDYEC-NRFANRHFSA-N 466.509 5.455 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccc(SC(F)F)cc1 916888377 WRYCGGGGZUEBKR-INIZCTEOSA-N 459.449 5.076 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916898331 BCUZYIOGGRLTRS-OAQYLSRUSA-N 491.931 6.126 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916932168 RKXJCJYCEIHECL-HZMBPMFUSA-N 472.191 5.584 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1Cl 916940398 WYLWQTZFNMGEIO-SFHVURJKSA-N 496.951 5.217 30 20 JKED Cc1cccc(N2C[C@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c1C 917042168 CILBXPVVEJZZHB-ZBFHGGJFSA-N 457.477 5.161 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=Nn2c(S)nnc2-c2ccccc2F)cs1 917538038 GUVBLIAOKQOOGN-UHFFFAOYSA-N 472.958 5.050 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)c(F)c1 917688008 YYUKUFJNLFGXMJ-HXUWFJFHSA-N 477.989 5.093 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc2ccccc2c1 917701573 USRIRYJRNCHXOV-NRFANRHFSA-N 483.515 6.005 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)o1 917703616 NSYWGUUFKGFEFZ-NYQDVAGCSA-N 484.581 5.435 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1 918415750 PDFCFWDAJLHTGA-HSZRJFAPSA-N 477.486 5.491 30 20 JKED C[C@H](OC(=O)c1[nH]c2ccc(Br)cc2c1Cl)C(=O)N(CCC#N)c1ccccc1 919337621 INQOIEKPMURZKC-ZDUSSCGKSA-N 474.742 5.076 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 920017316 MLEVELTZEROCJF-UHFFFAOYSA-N 497.523 5.541 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 920140819 JZFRDEKEGYMXAC-IBGZPJMESA-N 458.930 5.799 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=S)NC3CCN(Cc4ccccc4)CC3)c2)cc1 920310709 MJNAGDIJCRXLCT-UHFFFAOYSA-N 470.642 5.283 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 920471490 XXYPSRFMPWNNJJ-NRFANRHFSA-N 465.619 5.227 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 920871268 WIZYPQAGVAGWPJ-FDDCHVKYSA-N 461.587 5.083 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1781740211 GDTMJJCRRCIZFX-WJPVBLRZSA-N 491.657 5.236 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C3(CNC(=O)OC(C)(C)C)CC3)CCC2)cc1 1786102028 IFFTZKCGCQIVJN-UHFFFAOYSA-N 481.637 5.194 30 20 JKED Cc1noc(C)c1CC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1786717783 ZQPKSTMWFSYDNY-UHFFFAOYSA-N 465.670 5.019 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(O)n1 1787172880 CKUBTLBKKKJMHI-UHFFFAOYSA-N 480.568 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)nc4)cc3)CCC2)c1 1787428625 WZKKQWZNUWBZBH-QGZVFWFLSA-N 492.501 5.789 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cc2)CCC1 1788394810 SELVNJVJRRROPE-UHFFFAOYSA-N 463.541 5.281 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cc(C)ccc4n3)cc2)CCC1 1788942164 VGEWXJHAVSJCQG-LJQANCHMSA-N 458.562 5.092 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc5ccccc45)cc3)CCC2)cc1 1788972907 LRBBMRXPGXLYIZ-UHFFFAOYSA-N 476.536 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCc4ccccc4[C@H]3O)CCC2)cc1 1789448617 DNOYZBCJROVCQC-LGPLSSKUSA-N 458.602 5.185 30 20 JKED CC(C)n1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)n1 1790167190 LCRHBMPVWBPGPI-UHFFFAOYSA-N 461.953 5.051 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc2)CCC1 1790671831 GYMZSAZJWYRJIM-UHFFFAOYSA-N 458.505 5.019 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CN(C(=O)OC(C)(C)C)C3CCCC3)CCC2)cc1 1791248062 PTKBSOXYTDRGDB-HXUWFJFHSA-N 483.653 5.512 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)c[nH]4)cc3)CCC2)cc(C(F)(F)F)c1 1791473759 ACNJTRYNTUHOFH-UHFFFAOYSA-N 470.426 5.106 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681336 JMTMPFRVJKTROU-FQEVSTJZSA-N 499.995 5.246 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1F 1791968923 CFYOQJVOPFOVKG-IBGZPJMESA-N 485.559 5.452 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5c(F)cccc5n4)CCC3)cc2)c1 1792126795 LZLQFMLSYZITTL-SFHVURJKSA-N 481.531 5.162 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1c[nH]c3cccc(Br)c13)C2 1792567322 DXUNMSKCHLCGHS-REPLKXPHSA-N 486.454 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3ccc(Br)cc13)C2 1798592723 DVTZOKSBLXBWLV-BCDXTJNWSA-N 472.427 5.175 30 20 JKED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1Oc1cccc2ccccc12 1799837128 WAPAFOIXUYXGHL-RPOFPTLYSA-N 484.596 5.048 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1801637535 IRXZYVBESNCRAH-FBLMIPHFSA-N 491.651 5.888 30 20 JKED N#Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)cc1 1802389926 WWOHEUORMMPPJX-LGPHQWQMSA-N 498.671 5.198 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1803084792 WBMMBUGFAKIOFR-WNCULLNHSA-N 468.601 5.026 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1803087330 ROUUCZOOVVMCEO-GGAORHGYSA-N 471.523 5.188 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1803094010 ZBEZGLHPYFVIFC-XUZZJYLKSA-N 485.550 5.497 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1)C(F)(F)F 1803228991 SQTQJCSDDNAESM-BVSLBCMMSA-N 493.957 5.299 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1803560994 BEFSLSINRLYPHK-DWACAAAGSA-N 497.595 5.283 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)ncc3Cl)C2)CC1 1807290203 KFIPTPFAADQKJV-UHFFFAOYSA-N 494.861 5.111 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808160555 VZOKPVICMGOKJR-FQRUVTKNSA-N 477.008 5.038 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc(F)c(C#N)c2)[C@H]1c1cccnc1 1808559590 DRJGDRMDAMETRW-QDPGVEIFSA-N 492.639 5.337 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1809195218 HRKVCFUBPQMLEA-DVECYGJZSA-N 479.024 5.528 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2F)[C@@H]1c1cccnc1)c1ccccc1 1810444872 VRAZLLCJPXVFJU-CERRFVOPSA-N 483.587 5.046 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)cc(C(C)(C)C)c1 1811413603 WPXGNALVMMMPAT-PXDATVDWSA-N 486.660 5.300 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1811696919 IYNBFRSBLOSNAT-SVMVAKDDSA-N 488.415 5.182 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1811929538 HLFWUCQNSFQNOB-LNVOOWCLSA-N 494.639 5.411 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccc(C)cc4s3)[C@@H]2c2cccnc2)c1 1812221243 FOSXWXMRDVVHOO-KCWPFWIISA-N 494.620 5.418 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1812590736 TVDLILQTSOQLAE-FBQMUFCQSA-N 470.617 5.021 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1812933498 LUDHTXWCARXQKK-QDPGVEIFSA-N 488.607 5.109 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1812958587 VZIDENMQSLNLTA-ZCYQVOJMSA-N 487.566 5.181 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1813057594 GVXGIMDXSRTBRI-FQRUVTKNSA-N 470.598 5.187 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1813227166 PMVNRTCGVZDTKM-DFBJGRDBSA-N 480.033 5.463 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1813229585 UTDBYIRLENWSTP-NVQXNPDNSA-N 459.615 5.118 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccnc1 1813749810 GJLDWBDARZBKHT-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OCCCC(F)(F)F)cc3)[nH]n2)C1 1814397850 WVUSUWFMAROZEP-OAQYLSRUSA-N 490.526 5.403 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CC(c4ccccc4)(C2)C3)[nH]n1 1814830982 KTVYYYAHOJYPQR-YHHYGRTJSA-N 458.606 5.292 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc(F)c3)CC2)n[nH]1 1815617418 XVSHZVQGPPSKQW-UNMCSNQZSA-N 450.558 5.041 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115937 STVDYOCABZZYOC-QHCPKHFHSA-N 499.640 6.119 30 20 JKED COc1ccc(F)cc1-c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC#N)[nH]n2)c(Cl)c1 1820226260 YOVQHXAAXIBDPD-NRFANRHFSA-N 495.942 5.097 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)ccc1F 1821119552 XEWOQAOTTLNXHS-HSZRJFAPSA-N 489.551 5.136 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2onc3ccccc23)n[nH]1)c1ccccc1 1821473062 PYYOVPXXXRGWJK-RDPSFJRHSA-N 481.556 5.054 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCCCC(C)(C)C)n[nH]2)c1 1822116297 SMKCFFQOJOXSAQ-QHCPKHFHSA-N 479.625 5.592 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1 1822279505 XGYUNOWNNWKIEL-HSZRJFAPSA-N 484.666 5.017 30 20 JKED CSc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1822596885 DTYYDJIGEAJXGK-JOCHJYFZSA-N 494.020 5.205 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823211445 MKSHDOZKMVRKIL-CPJSRVTESA-N 469.589 5.284 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4ncccc4c3)[nH]n2)c1 1823214489 FVBHAXILKLBILH-AVRWGWEMSA-N 478.556 5.205 30 20 JKED Cc1cccc(C)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823217729 WZAKZVJHQVCYMC-CVDCTZTESA-N 455.562 5.273 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccccc3)[nH]n2)cc1C#N 1823295036 XJTNWCLTEVYFLI-CUYJMHBOSA-N 497.599 5.178 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 1823886738 NZXOSIKXOXICDH-IBGZPJMESA-N 498.824 5.025 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c[nH]c4cccc(Br)c34)CC2)C1 1824257648 JWZSAUZGUWQAKO-HSZRJFAPSA-N 498.465 5.059 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1824508276 UPJVYDULBWABGQ-KCWPFWIISA-N 499.655 5.431 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1824509111 UFMZSQVHVBEFQH-DVECYGJZSA-N 499.051 5.326 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)n1 1825386643 WTVRXOFEGOMBLR-QHCPKHFHSA-N 487.786 5.551 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cccs3)CC2)c1Cl 1827078645 WUSODMUYGOTOFT-CZQLGGELSA-N 468.022 5.220 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3cc(F)cc(F)c3)CC2)C1 1827353338 SICKUGIVNJOXIV-VWLOTQADSA-N 479.571 5.226 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828422088 JYAKCBQVOYITPS-YKSBVNFPSA-N 456.593 5.516 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828507929 JYTFSIYCLIERIG-HSZRJFAPSA-N 482.422 5.139 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)nc4ccccc34)CC2)CCC1 1828714146 RZCZQYLCQKUNHV-JOCHJYFZSA-N 498.549 5.181 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2N)CC1)c1ccccc1 1829032357 IMBRGFHTOPSEKV-JRTMWMOUSA-N 483.656 5.099 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(F)c(OC)c2F)CC1 1829068887 VQXJUIBOWDRAMA-FQEVSTJZSA-N 492.607 5.208 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c1Cl 1829689449 FUEMXMJBMPBHAC-QFIPXVFZSA-N 470.400 5.412 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830532006 NDJRRZNJCXWNJL-PMACEKPBSA-N 474.564 5.032 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3)CC2)cc(C(F)(F)F)c1 1830756751 UMWNWFYLGDECIC-XMMPIXPASA-N 483.534 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1831737979 XUPQCSIXHXHIHF-DEOSSOPVSA-N 484.681 5.249 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1832028404 NNIHSXBQDBQJKX-SHEYNDHISA-N 475.633 5.003 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)c1 1832629401 PGPWQLPKDVXRFL-FOVJLYNBSA-N 471.592 5.372 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1Cl 1832635530 IIOAEOWCPLFOLN-KBMIEXCESA-N 494.035 5.523 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3F)CC2)cc1C#N 1832703411 KWVWVZNDTXESOD-VWLOTQADSA-N 477.580 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)Cc3ccccc3)CC2)CC1 1836675425 SWJFNOBYTQJKFJ-UHFFFAOYSA-N 468.682 5.246 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C 1847508028 YRERQQWWDBDWAD-SGNDLWITSA-N 489.701 5.212 30 20 JKED CC(C)Cn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccccc1F 8651204 BHHZDSZVPAXZEI-GOSISDBHSA-N 451.571 5.168 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2cccc(C)c2C)cc1 10167716 SNXUOIRASFMTNE-UHFFFAOYSA-O 468.440 5.967 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccc(Cl)cc1 10240353 DOXJSOYVMGIAJX-UHFFFAOYSA-N 465.381 5.328 30 20 JKED O=C(Nc1ccccc1)N1CCC(/N=C/c2cc(Br)cc(Br)c2O)CC1 11123553 JREVWGWPSGLJSS-WSDLNYQXSA-N 481.188 5.033 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2scc(-c3cccs3)c2c1=O 17724528 RVBONAJZPJJVBK-GFCCVEGCSA-N 484.653 6.337 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1Cl 20413007 JACBPBRMHHBLNZ-UHFFFAOYSA-N 477.417 5.245 30 20 JKED C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2 22929392 GMPRKDFAWRNJRP-CQSZACIVSA-N 457.511 5.101 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23603330 HSPKCPQYMSNJPV-UHFFFAOYSA-O 454.619 5.869 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 23604225 BCRQHTVHWOZVSG-UHFFFAOYSA-O 461.438 6.229 30 20 JKED CCCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc(Cl)ccc2c1=O 26010279 JKDSIVBCBXZHRA-SFHVURJKSA-N 495.029 5.552 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1 29811387 CLJMACAYZRCZFH-GAJHUEQPSA-N 491.979 5.419 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29955672 YYIZZCVLZOMBDH-NYHFZMIOSA-N 464.447 5.126 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1-c1ccccc1 33148752 KAUISGLVMJHEGS-UHFFFAOYSA-N 451.320 5.404 30 20 JKED N#CCCCOc1cccc(/C=C2\CSC/C(=C/c3cccc(OCCCC#N)c3)C2=O)c1 110403488 KJZGYYDDPGAJQY-REPVBDINSA-N 458.583 5.835 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1F 195569866 CEJLPLYZHYEEBB-UHFFFAOYSA-N 474.586 6.192 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Sc2ccc(Br)cn2)CC1 195604978 BFGHOTUEVMQKAY-OAQYLSRUSA-N 493.430 5.018 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 255930872 PLJOYFSQZREJHL-JKSUJKDBSA-N 474.989 5.194 30 20 JKED CS(=O)(=O)c1ccc(OCCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 303075905 RCSWDLQSCQMHLR-HXUWFJFHSA-N 489.018 5.293 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481738288 HAZLHRSJNJDGCU-RUZDIDTESA-N 489.547 5.498 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)CC1 503517225 PSIYGWSCQHHFSG-UHFFFAOYSA-N 485.535 5.369 30 20 JKED COc1ccccc1NC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OC 505950046 YHKSVWIVZRDHKH-INIZCTEOSA-N 459.506 5.102 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 509603731 LXZYCYTTYYTOPQ-UHFFFAOYSA-N 490.610 5.595 30 20 JKED C[C@H](COc1ccc(F)cc1F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 510616644 OATNAZISNHDLBO-QGZVFWFLSA-N 451.473 5.199 30 20 JKED C[C@H]1CN(Cc2ccccc2CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H](C)O1 511423532 ZTILHURNNBMNIH-GOTSBHOMSA-N 498.627 5.263 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccc(C(F)(F)F)cn1 513142693 GJBVTKRGLOYWFF-ZDUSSCGKSA-N 458.749 5.448 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CC)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 513298463 LJMPYEOYKQEMRR-HXUWFJFHSA-N 456.999 5.153 30 20 JKED C=CCN(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514499672 DSZZKYYXWWGKIZ-UHFFFAOYSA-N 493.520 5.449 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516270305 RIVAYXDBPBXHNT-IBGZPJMESA-N 458.543 5.667 30 20 JKED C=CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 516461821 DWGBLPGBQRKTGJ-UHFFFAOYSA-N 456.527 5.922 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1 517741908 IMNVKRCKAVYCDL-UHFFFAOYSA-N 459.590 5.244 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)nnc2-c2ccccc2)cc1 518128030 NBSPSHXQYWBZNV-HXUWFJFHSA-N 499.665 6.225 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 519095937 UNONSSHDVPVCKQ-UHFFFAOYSA-N 495.391 6.241 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 523583513 SEYTWZFXNGYDGB-UHFFFAOYSA-N 480.499 5.968 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 523914649 JZUUEMQPKJURPU-DEOSSOPVSA-N 475.932 5.219 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 524406280 UMGGZDSZPHDXMZ-UHFFFAOYSA-N 488.547 5.925 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)cc2F)c1 524460605 NZPSACWRMXTTBN-UHFFFAOYSA-N 498.411 5.872 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 560856649 FRXDEFBGRVVPGQ-DNVFCKCGSA-N 473.598 5.468 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 561144389 VYLPKPALONASKT-UHFFFAOYSA-N 465.862 5.074 30 20 JKED CC(C)[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 588309358 GXXZVCBBYAQKQN-KFWWJZLASA-N 464.372 6.175 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccoc1C 589939347 PZLHMKPNYYMBFH-CQSZACIVSA-N 467.620 5.211 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 590532864 NGCLDIWASFBPGX-CHWSQXEVSA-N 490.366 5.472 30 20 JKED C=CCn1c(SCc2nc(-c3ccoc3)no2)nc2scc(-c3ccc(C)cc3)c2c1=O 591773713 ULBLOVAHDORLDV-UHFFFAOYSA-N 462.556 5.555 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)cc1 594654792 DCWRKAMPIURSRO-IVLZGPIQSA-N 477.608 5.120 30 20 JKED CCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1cccc(C)c1 597868937 DRWYOAPIFOQMHI-SFHVURJKSA-N 451.571 5.230 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c([N+](=O)[O-])cc1OC 603613663 JVNJZXAISLPPLN-ZDUSSCGKSA-N 478.313 5.532 30 20 JKED N#Cc1cccc(COc2cccc(CNC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)c1 603682081 DDJQSEKAUUCYIR-OALUTQOASA-N 456.430 6.136 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 603872335 CWAAESHMCDHHOD-UHFFFAOYSA-N 451.979 5.886 30 20 JKED C[C@H](c1ccccc1)n1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1 603917233 HUAQZDPEKSYTES-LJQANCHMSA-N 453.571 5.547 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 604128007 KLHAIKZXTDBANW-UHFFFAOYSA-N 488.931 6.107 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 604137957 JYNINBWHCLOGNL-ILBGXUMGSA-N 473.960 5.210 30 20 JKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604141527 IVCLCPOHSJIRTJ-GMAHTHKFSA-N 475.976 5.665 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)cc1 608841724 UIVUFNQVTVRLQI-UHFFFAOYSA-N 498.564 5.473 30 20 JKED Cc1nc2ccnn2c(C)c1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062211 GDNMQNCZPMAQAO-UHFFFAOYSA-N 459.937 5.022 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCCc3ccc(Cl)cc3)cc2Cl)c1 609090078 YHCBBKLQCDIDEN-UHFFFAOYSA-N 482.367 5.132 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Br)cc3C(F)(F)F)CC2)c1 609207203 KTVJDUCVKYFZNQ-UHFFFAOYSA-N 468.273 5.415 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2)cs1 613319670 IZVSNLRSPVGKDD-FQEVSTJZSA-N 465.987 6.298 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3c(s2)CCC3)nc2scc(-c3cccs3)c2c1=O 613827845 YFQQECVJITZESQ-UHFFFAOYSA-N 486.669 5.049 30 20 JKED O=C(Cc1ccc(F)c(Br)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 614452435 DFTZPFBJPAFGNK-UWVGGRQHSA-N 450.192 5.156 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300313 AMJFXAZEPTWHKQ-NXEZZACHSA-N 477.302 5.233 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 624581479 DMBZBTRWBKHORD-CQSZACIVSA-N 470.476 6.171 30 20 JKED O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1Cl 642193404 HCZIJMXVGWCJBD-MYJAWHEDSA-N 477.776 5.547 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 642235346 DPIIOMBXSSCNJY-OAHLLOKOSA-N 468.953 5.070 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 725826446 STTQQYMGEDBLPE-UHFFFAOYSA-N 471.977 5.354 30 20 JKED Cn1c([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)nc2ccccc21 726270152 WYYUCEXPUGJSIG-LEAFIULHSA-N 471.564 6.140 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)c1 726413532 UBOBVYLFQPEPRB-GOSISDBHSA-N 479.911 5.152 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3cnn(-c4ccc(Cl)cc4)c3)SC2=S)cc1Cl 726627700 SYMJCIYWHYSXMO-CNHKJKLMSA-N 457.367 5.457 30 20 JKED COc1cccc(-c2nc(/C=C3\SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)cs2)c1 726627736 UNLMZODMOFQGPY-LSCVHKIXSA-N 470.000 5.750 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1=S 726785943 BJHRLALFUJSQRZ-FQEVSTJZSA-N 459.541 5.866 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 727150014 VLWAFCRMBIZYSX-DEOSSOPVSA-N 457.530 5.864 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CC1 727631529 HQMBJZJZSXYLPN-IBGZPJMESA-N 494.567 5.229 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])s2)c(C(F)(F)F)c1 727708739 FYVJHMAKHCLWDF-UHFFFAOYSA-N 468.363 5.063 30 20 JKED COc1ccc(N2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 728119017 GKXDPEBTCUVFSS-UHFFFAOYSA-N 470.573 5.199 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2sc(N3CCCC3)nc2Cl)cc1 728165841 VJLNZEJOEZQVOH-UHFFFAOYSA-N 452.967 5.294 30 20 JKED Cc1cc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c(C)n1-c1ccc(C#N)cc1 728543857 LJXAAUYQWZWZLL-UHFFFAOYSA-N 460.493 5.019 30 20 JKED COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728668591 ZJCDVYCDEIVEBL-HNNXBMFYSA-N 450.878 5.197 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)c1C 729144901 ZXOPCFCLNYYIHI-OAQYLSRUSA-N 489.626 5.101 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730685725 HQSRJCOMPSUZHJ-AWEZNQCLSA-N 482.390 5.031 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 730687936 YRDBTJOWXIXULI-NHYWBVRUSA-N 460.386 5.638 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)cc1C 730710985 WLFXFACRAITBSZ-XMMPIXPASA-N 484.581 5.605 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(OC(F)(F)C(=O)O)cc1 730727106 LNZVRIBAHOUWRY-UHFFFAOYSA-N 489.887 5.025 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1cocn1)c1cccs1 730729459 MQEJREPYFHRMHC-DVXVVXBLSA-N 492.985 5.119 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 731352010 JVVSRWVYLFSGRN-VQTJNVASSA-N 472.614 5.622 30 20 JKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 746663799 IBSVQSDDWXXCGI-UHFFFAOYSA-N 477.537 5.775 30 20 JKED N#CCOc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)c1 746829284 KCJXZVQBAAAVPA-NDEPHWFRSA-N 488.547 5.203 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 747804356 NOCBMIISOVYIAG-GGAORHGYSA-N 452.599 5.463 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OCC(F)(F)F 750404520 TVXJPHXIGUTGSW-AWEZNQCLSA-N 496.457 5.847 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C)cc2)ccc1Cl 751216696 MISAFGQCQPOAKW-UHFFFAOYSA-N 489.424 5.960 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CC(F)(F)F)C2=O)cc1 799210094 NPHRWRHYLGOMQT-GOSISDBHSA-N 477.508 5.029 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 799219091 LEGMVPJFDMCLSU-OAHLLOKOSA-N 477.842 5.141 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1cccnc1 837285767 QVHAWKHRBHGJMJ-XMSQKQJNSA-N 476.577 5.559 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3ccccn3)C2=O)cc1 837300328 GCMBMQIIBLJUPY-QMHKHESXSA-N 490.560 5.145 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](C)c2ccccn2)C1=O 837551717 KHHCPPZLZJZXQD-OPAMFIHVSA-N 495.004 5.465 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CCN(C3CC3)CC2)C1=O)Nc1ccc2ccccc2c1 837553125 YGELMUKNBWDMSW-AREMUKBSSA-N 498.652 5.427 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)cc1 837877650 WJTHVTRYKISXDV-YKSBVNFPSA-N 472.614 5.728 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)cc1 837951455 XUKLCMBMNISDQX-NLFFAJNJSA-N 486.641 5.982 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 838298349 JZHLQVUXXOWGAT-HJPURHCSSA-N 494.567 5.644 30 20 JKED CC(C)Cn1cc([C@@H]2N(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC23CCOCC3)cn1 849536358 ZPDWFBAQJXPMOZ-MHZLTWQESA-N 484.600 5.391 30 20 JKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2cc(Cl)ccc2OCc2cccnc2)cc1 914691917 IPHFQVTWUFADBZ-UHFFFAOYSA-N 487.919 5.345 30 20 JKED N#C[C@H](C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102763 GQWGNGLMLBLHBN-CQSZACIVSA-N 487.336 5.603 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1F 915116816 PVKIHKWNHQUBAX-JOCHJYFZSA-N 481.524 5.134 30 20 JKED COc1cccc2cc(/C=C(\C(=O)Nc3ccc4c(c3)OCCO4)C(=O)c3ccccc3)oc12 916156087 FNMNIELHRVISHF-PGMHBOJBSA-N 455.466 5.118 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccccc1C(F)(F)F 916210180 CGVJBFUJHOEKPM-HXUWFJFHSA-N 484.503 5.261 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 916211912 SDINFBDWYCDWMW-JOCHJYFZSA-N 479.989 5.509 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cn(-c2ccccc2)nc1-c1cccnc1 916333717 ROOWVWDYQXLLQS-UHFFFAOYSA-N 492.395 5.671 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2ccc(-c3nc4ccccc4s3)o2)cc1 916546367 NLRBHXRJFPDDTC-UHFFFAOYSA-N 451.964 5.976 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccs1 916564658 UGPQVVXWSBRNNS-UHFFFAOYSA-N 491.034 5.490 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(CC)Cc2ccc(Cl)s2)c1=S 916567729 ZRFKVIYCIDAVKR-UHFFFAOYSA-N 453.008 5.513 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@H](C)C2 916886100 DKJJNKMDGYZOKK-PWFLHBDXSA-N 472.513 5.084 30 20 JKED N#C[C@H](C(=O)COc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 916911194 WGRVNGHJTJVNPX-MRXNPFEDSA-N 455.297 5.512 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 916914029 JOWOSIIVFXKNFZ-DEOSSOPVSA-N 454.530 5.634 30 20 JKED N#C[C@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)c(Cl)c1 916940982 XYJNDTHGFCNLDS-MRXNPFEDSA-N 478.332 5.058 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nncn3-c3ccc(C(C)C)cc3)n2)cc1 916972223 LALNTANSZHXFSO-OAQYLSRUSA-N 473.627 5.791 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917042941 IGZGMNOQZRAQSB-BZUAXINKSA-N 483.540 6.851 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccccc2C)[n+]2ccc(C(C)(C)C)cc2)C=C1 917607584 ZTOXORBYRAJNIC-UHFFFAOYSA-O 475.634 6.164 30 20 JKED Cc1ccc(C)c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)c1 917612477 SMTSMHACKFCTFI-UHFFFAOYSA-O 476.625 6.377 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC(F)F)cc2)n1 917676802 YYWQYELVSAYFBY-OAQYLSRUSA-N 496.539 5.152 30 20 JKED CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2sc(CC)cc2C#N)c(Cl)cc1Cl 917879100 YWXXVSYQBJRLMM-NSHDSACASA-N 474.435 5.208 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cc1 918450610 UPUSAAWQNUTDDK-BDYUSTAISA-N 493.538 5.356 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Br 920141653 LELOTZABLYRFIK-QGZVFWFLSA-N 466.360 5.262 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)n2)cc1 920143572 RMAAWMANEBDQHK-JTHBVZDNSA-N 475.570 5.186 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)c1 920169639 UPNQRQZTZSEVEM-QFIPXVFZSA-N 491.569 5.009 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3c(C)noc3C)C2=O)cc1 920354299 AOBYQHGKXPAREX-NRFANRHFSA-N 484.528 5.039 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3cc(C)on3)C2=O)c1 920358829 CBGCVOZLFHMGLW-DEOSSOPVSA-N 488.613 5.249 30 20 JKED CC(C)c1ccc(-c2ncc(COC(=O)CSc3nc(O)cc(C(F)(F)F)c3C#N)s2)cc1 925046560 RAYBQTARAGQVOJ-UHFFFAOYSA-N 493.532 5.760 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCCCCC(C)(C)C)C2)c1 1781932775 ZIQHIOVMVMNIOF-FZWQGKLBSA-N 481.681 5.438 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCCC4(F)F)CCC3)cc2)cc1 1785882082 ZUJVQPNJINHZBZ-VWLOTQADSA-N 469.507 5.152 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3COc4ccccc4O3)cc2)CCC1 1786309245 IYSFJTDONKYSJZ-GOTSBHOMSA-N 460.574 5.119 30 20 JKED Cc1nc2cc(C(=O)NC3(c4ccc(NC(=O)[C@H](S)C(C)C)cc4)CCC3)ccc2s1 1786393658 KLKWXSLQEWAYTF-OAQYLSRUSA-N 453.633 5.307 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=C(C)CC3)CCC2)cc1 1786546267 NGWDUGLHSOBSGO-NZQKXSOJSA-N 481.637 5.336 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CCC2)cc1 1786676336 IHUZFACGHJBGIL-UXHICEINSA-N 456.558 5.122 30 20 JKED C[C@@H]1CN(Cc2ccccc2)C[C@@]12CCC[C@H]2C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787885638 XMFBWYRJPYGGEL-MGTSJQRLSA-N 498.671 5.363 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CCC2)cc1 1787889308 UNZPQXUZZCWGSN-UHFFFAOYSA-N 463.541 5.281 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3occc3C)cc2)CCC1 1788692728 VICSYRGLIOXQCP-NRFANRHFSA-N 481.593 5.195 30 20 JKED Cc1ccn2c(C(=O)NC3(c4ccc(NC(=O)CCCC#C[Si](C)(C)C)cc4)CCC3)cnc2c1 1789510070 YOXSMFMRPVMEKF-UHFFFAOYSA-N 486.692 5.442 30 20 JKED CCOc1ncc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1789840641 YPWSZRVKEBIYJI-UHFFFAOYSA-N 474.948 5.067 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cnccc4C(F)(F)F)CCC3)cc2)cc1 1790285820 VWRMGOZJSICHBR-UHFFFAOYSA-N 492.501 5.353 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)CCC1 1790590906 IIPGUENSADSGQD-UHFFFAOYSA-N 489.435 5.125 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5occc45)CCC3)cc2)c(Cl)c1 1790767248 QSFFUGLEAORWIM-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791526393 NOFVZBBHYJHXDG-KNQAVFIVSA-N 471.642 5.130 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C(F)(F)F)[nH]c34)CCC2)cc1 1791582867 RSUACQCHIKHCQU-UHFFFAOYSA-N 468.479 5.133 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791583719 DLWRRACMEXZJBZ-NZQKXSOJSA-N 481.637 5.008 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CCC2)cc1 1791589477 DGMZIFWEDMINRH-LEWJYISDSA-N 453.380 5.263 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc(C)n3)CCC2)cc1)c1ccc(O)cc1 1791646283 JGKGNOWGZJQYHX-JOCHJYFZSA-N 467.569 5.041 30 20 JKED CN(C)c1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1 1791744738 HXUOTMQTGSDUTP-UHFFFAOYSA-N 480.612 5.199 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CCOC3)cc2)CCC1)c1ccccc1 1792021969 CMRPWJYLZCXPIU-ATIYNZHBSA-N 458.602 5.134 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)cc3)CCC2)C1 1792205967 DBUVMWJOTLDXDU-UHFFFAOYSA-N 483.653 5.562 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792208017 FDECSPGZHYNFCV-DEOSSOPVSA-N 493.648 5.456 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1802493565 XLLJILBFQMOYBN-BVAGGSTKSA-N 465.613 5.242 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1802496387 QCTWNDCEMZKWFT-RBBKRZOGSA-N 473.539 5.412 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c1 1802713164 AXXMHMKUFQGKNM-FTGWLVSGSA-N 490.966 5.135 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1803558499 RQKYVHKIKZDHGR-OUTSHDOLSA-N 499.611 5.176 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccccc4CSc4ccccc4)CC3)C2)C1 1804787280 WKKNODWPPZFNEY-UHFFFAOYSA-N 474.670 5.790 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ncccc4-c4ccccc4)CC3)C2)c1 1805327279 GADXSRXIYLSEGI-UHFFFAOYSA-N 492.623 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)[C@H]1c1cccnc1 1810175495 SESKLQIAGZXDHT-LOLUNWTRSA-N 498.602 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(OC)c3)C2)CC1 1810347073 UCYUSZZJIBHUAW-UHFFFAOYSA-N 489.660 5.594 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1810504235 XVOCRDQTJDASNY-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1810504328 YKVHPSPGUNQLCE-JYFHCDHNSA-N 488.632 5.052 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1810724819 ABAXNRALKNJPDI-URXFXBBRSA-N 495.501 5.312 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)cc1 1811954158 WGTARWGLXCVEFG-QPGRZUOQSA-N 487.625 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nscc23)[C@@H]1c1cccnc1 1812213723 CWEWFARWOYHGSW-CVDCTZTESA-N 462.619 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccccc3)CCC2)[C@@H]1c1cccnc1 1812987887 YDIBLWKOGIIKHN-NOZRDPDXSA-N 459.634 5.202 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1813228730 FPDNVMAYUIRLMO-DWACAAAGSA-N 479.580 5.494 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2CCCC3)[C@H]1c1cccnc1 1813876745 QVFSPCWWRNBSRE-RPLLCQBOSA-N 457.618 5.048 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813977610 MWUKYQARDMBUHD-HXOBKFHXSA-N 492.834 5.555 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(-c3cnccn3)c2)n[nH]1 1820212340 IFNWMCNRAMONBV-HSZRJFAPSA-N 472.593 5.165 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1)c1ccc(Cl)cc1 1820481773 OGPGGFGRZHXGQT-ZHRRBRCNSA-N 461.953 5.044 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)[nH]n2)c1 1820485556 OUWBYAQWQIQTMV-QFIPXVFZSA-N 482.569 5.025 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)n[nH]1 1821007845 ZGTFKCAXQVMGBW-RCZVLFRGSA-N 477.515 5.217 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1cc(F)cc(C(F)(F)F)c1 1821081797 KELYUHPWBBDOMG-OAHLLOKOSA-N 480.384 5.216 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)[nH]n1)C(F)(F)F 1821991961 DKILHEMWLXQVPN-MTNOOBJLSA-N 452.521 5.127 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1)C(F)(F)F 1821992867 MPHQMYUTKBSZII-IBGZPJMESA-N 487.457 5.035 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2Br)n[nH]1 1822514071 FLKYIPJBIWKTLE-IBUXMESJSA-N 483.410 5.071 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1822580008 POAVEVAGELVIHU-HSZRJFAPSA-N 473.552 5.110 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CC4(CCC4)C3)n[nH]2)cc(C(F)(F)F)c1 1823056854 RJGVVXKEYVWELJ-HXUWFJFHSA-N 485.510 5.186 30 20 JKED CSc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1O 1823217550 MKVXLFRWCSHMQB-HRAATJIYSA-N 489.601 5.084 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)[nH]n1 1823422762 MKOZVSKGCBTRHV-RUZDIDTESA-N 467.573 5.257 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1823887946 RWGBBTNPQACVFR-OAQYLSRUSA-N 464.437 5.095 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824273785 LPEOYJSDVZAUOQ-DEOSSOPVSA-N 481.040 5.023 30 20 JKED CCOc1c(F)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1Cl 1824542044 RCJIDXDOYAACRW-IFMALSPDSA-N 485.065 5.066 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2OCC2CC2)CC1 1825581548 LLWBNURNZBNCDK-XMMPIXPASA-N 467.654 5.096 30 20 JKED CO[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1)c1ccccc1 1826417820 PKIQMKJXOURZMV-AHKZPQOWSA-N 482.741 5.045 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1)c1ccccc1 1826421139 ITCNQCHNTZARGR-MGJGVTIWSA-N 477.649 5.148 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@@H](C)S)CC3)c2c1 1827299583 QDRSVVJYKLAYSO-GCJKJVERSA-N 486.678 5.192 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)[nH]c12 1827682657 JJIVSBWBTABZNX-YSESTWPTSA-N 489.641 5.210 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1)c1cccs1 1827683825 LFUNOMYWIYPZDV-GHOSXJJBSA-N 482.627 5.228 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1828459336 LURDNLBHUQMBCI-UWMZSFRMSA-N 459.675 5.014 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)cc12 1828577974 UPTHVDCAUJWVRZ-HHHXNRCGSA-N 468.601 5.090 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1828879936 QCKGTMNKFHJDIS-JXJSOSRJSA-N 487.669 5.600 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)c1 1829684701 VHONBZWFRQLWFI-RUZDIDTESA-N 480.008 5.076 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccn4c3)CC2)c1Cl 1829688977 TWYJQMDPVVNGHA-OAQYLSRUSA-N 481.021 5.073 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)c1 1829957519 VIGGEZQZVDVDFK-HSZRJFAPSA-N 487.497 5.263 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)c1 1829959402 SBERTCQHKJNGIL-HSZRJFAPSA-N 487.497 5.263 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2F)CC1)c1ccc(O)cc1 1830094332 SBZCWYMUMOWYJG-CUNXSJBXSA-N 494.582 5.101 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1830103092 RQGDPXXQZPBDGM-HHHXNRCGSA-N 473.617 5.203 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830359173 OHTPVDWHJNBERW-YTMVLYRLSA-N 489.635 5.299 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)CC1 1830375164 XOZUBXUHYYTIIQ-MHZLTWQESA-N 496.692 5.415 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1830606635 RSGGGIBWEAUTLS-XMMPIXPASA-N 480.008 5.157 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721074 WDXANNVUCSDOAO-RUZDIDTESA-N 481.040 5.023 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770174 MLSQQMXSVISDSX-VWLOTQADSA-N 494.035 5.466 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831310671 VESITGBVDVFKKC-VGOFRKELSA-N 468.535 5.219 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831376716 RBDPTKINYQRBFC-UWJYYQICSA-N 469.607 5.255 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)CC1 1831780183 MXANKTTXHOQOQG-QHCPKHFHSA-N 468.041 5.075 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1831850307 XLAGHLHWCGRKEB-RUZDIDTESA-N 495.461 5.639 30 20 JKED COc1cc(F)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832533830 DEKZCFHSVRMLPN-KBMIEXCESA-N 477.580 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)c1 1832635584 KEVKKFOHUSJLPC-KDYSTLNUSA-N 485.628 5.186 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)CCC1 1832785357 AORKHESGYWHVLI-QHCPKHFHSA-N 486.641 5.377 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)CCC1 1832785548 DLTVCOLKLNGWMR-SFHVURJKSA-N 499.936 5.425 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1832827870 HNHBZGAKCPOLLI-IAPPQJPRSA-N 478.583 5.531 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1835819933 FMNDRTYYUHFYFU-UHFFFAOYSA-N 487.688 5.531 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CC1 1836466966 GZBVCYPMZKLJRN-UHFFFAOYSA-N 496.454 5.086 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)CC1 1838682084 NHUYYRRQTQMVPB-UHFFFAOYSA-N 486.656 5.468 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)c1 1845280404 CVXCJUFCBYBYHU-CCLHPLFOSA-N 499.561 5.642 30 20 JKED C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2)C(=O)Nc1ccccc1C#N 8629223 BTPSEIHTUNQGCV-RILMWAFASA-N 489.531 5.483 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 10174464 ZVWGUZWOZNNJGJ-UHFFFAOYSA-O 496.612 6.086 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 10950172 YNSFTLWMCBKVSI-QHCPKHFHSA-N 492.526 5.926 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1Cl 16023643 YKZUYKAHYZPTMP-UHFFFAOYSA-N 468.962 5.176 30 20 JKED Cc1cc(CSc2ccccc2C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)on1 16542425 CKPPMQSNGVHYAT-UHFFFAOYSA-N 481.599 5.273 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 16862808 GIMDRGNGXIAAIC-CYBMUJFWSA-N 458.374 5.429 30 20 JKED Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 17105540 LOUKYDCTWXPHDS-HNNXBMFYSA-N 451.621 5.206 30 20 JKED Cc1ccc(-c2nc(CC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)cc1 20001746 XEDHALTXEKFUMB-UHFFFAOYSA-N 463.613 5.315 30 20 JKED O/C(=N\c1nc(CN2CCOCC2)cs1)c1sc2cccc(F)c2c1COc1ccccc1 21129704 REPULIVJKOWMQR-UHFFFAOYSA-N 483.590 5.544 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=O)COc2ccc(C#N)cc2)c1C(=O)N1CCCCC1 21900971 KXNLPNZOGMFYHK-UHFFFAOYSA-N 459.571 5.239 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 22183515 XGPZSZZSTJCLBR-FQEVSTJZSA-N 491.419 6.033 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1cccc(Cl)c1 22354088 XXBNTYRMPWFVCB-UHFFFAOYSA-N 463.950 5.220 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C)c(C)c2)cc1 22695564 NEXQBYRZVRJAOI-UHFFFAOYSA-O 451.681 6.915 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 22733365 KUINGWYUDVXAGT-UHFFFAOYSA-O 483.560 5.372 30 20 JKED C=CCN(C(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1nc(-c2ccccc2)cs1 22955696 SZAGMEAJMIQIPC-UHFFFAOYSA-N 471.611 5.806 30 20 JKED C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)N(CCC#N)c1ccc(F)cc1 23501027 SWBHAQMFIDYDFW-ZDUSSCGKSA-N 479.027 5.883 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)C2)ccc1Cl 28018412 ZGDNOKCNRHLVHI-INIZCTEOSA-N 467.418 5.247 30 20 JKED CCn1c(SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 29153556 CQXZKNXTIYRYIG-UHFFFAOYSA-N 474.417 5.804 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1SCc1cn2ccccc2n1 29808858 DNZGEXJEQBMACY-UHFFFAOYSA-N 465.500 5.427 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1ccco1 29991232 KPFOHAXKCZDZBQ-QFIPXVFZSA-N 460.559 5.513 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 32789038 SACPNTCQKKMGEW-UHFFFAOYSA-N 471.611 5.312 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccc(Cl)cc1 59794977 YWQBGWIXNKEDAK-UHFFFAOYSA-N 467.809 6.212 30 20 JKED C=CCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 104956650 DAFBXVXNNHUOTG-UHFFFAOYSA-N 486.380 5.603 30 20 JKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c2ccccc12 206338873 MVNRBAZIEOMUTC-FLIBITNWSA-N 464.493 6.164 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3I)cc2)cc1 303084993 AZZZNNCLONOHIO-UHFFFAOYSA-N 485.237 5.116 30 20 JKED C[C@@H]1Sc2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc2NC1=O 487386319 MSWFBNQPPIXVNP-NSHDSACASA-N 488.516 5.309 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 498387258 SAXDMRFEOHUPON-HXUWFJFHSA-N 451.375 5.048 30 20 JKED N#Cc1c(NC(=O)c2cc(Br)c3c(c2)OCCO3)sc2c1-c1ccccc1CC2 499776416 MTOKWUOQDQZWEC-UHFFFAOYSA-N 467.344 5.171 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 501579672 DCDRTBKLCUFNOS-UHFFFAOYSA-N 481.474 5.776 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1Cl 501783955 GVCNMSCXMYFSKZ-UKILVPOCSA-N 472.976 5.481 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccccc1 504321562 OZZDJFOWBOWAOI-KRWDZBQOSA-N 476.650 6.052 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4cccc(COc5ccc(CC#N)cc5)c4)CC3)c2c1 509919481 LMVLVEJWUCXPMU-UHFFFAOYSA-N 492.579 6.143 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1Cl 510003566 CPICTTKGGVOBDO-JOCHJYFZSA-N 470.964 5.450 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](CN1CCCC1=O)c1ccccc1 510730325 CJGRFFCUNSXSRF-RUZDIDTESA-N 454.530 5.144 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)c2C#N)C1 510772566 KRIJFKOQYOYGKB-GOSISDBHSA-N 460.603 5.023 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 511029477 MQIGOJCANHIMPC-UHFFFAOYSA-N 460.965 5.932 30 20 JKED CCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1cccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 512316270 UQNDXCBFTBFPJF-LEWJYISDSA-N 496.567 5.046 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c(C)c2c1 514424138 DMMLCBDBWMWBNR-UHFFFAOYSA-N 453.498 5.883 30 20 JKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)NCCc1c[nH]c2ccccc12 514961920 DJANUFBKZSBOHO-MRXNPFEDSA-N 456.571 5.023 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)CC1 515512872 UNTZHORGXHPBJA-ATVJKZCWSA-N 474.564 5.337 30 20 JKED COc1cc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc(Cl)c1OC 515851067 IBHTWYSTQHJFJP-UHFFFAOYSA-N 486.981 5.181 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1)c1ccccc1 516713667 GIOBCEFOHSYWCD-HTAPYJJXSA-N 450.523 5.707 30 20 JKED CCC(CC)CN(CCC#N)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 517873745 DDAOOGQFNNFUNR-UHFFFAOYSA-N 460.372 5.015 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H](C)C2CC2)c1 519085602 VSAPRMCQSZMKTH-QGZVFWFLSA-N 459.011 5.124 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cc1 519183449 FLSGARKCKBCBKP-UHFFFAOYSA-N 484.556 5.285 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1 520428965 CFUVMZGVCPMEOI-CQSZACIVSA-N 453.495 5.710 30 20 JKED C[C@H](C(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1)n1cccn1 521167154 QNIQEFFMSCXWHR-LJQANCHMSA-N 481.581 5.499 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 521326376 PARNURCGEKKBKB-RDJZCZTQSA-N 476.429 5.879 30 20 JKED C=CCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 521492506 RMWGQYQDOGWNKI-LJQANCHMSA-N 463.361 5.200 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccc(F)cc4)nc4onc(C)c34)n2)cc1 522487666 GFDADXZUPKTDJU-HXUWFJFHSA-N 484.512 5.960 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C2CC2)cc1 523219720 LRPNXGQMTWPEDP-AREMUKBSSA-N 458.606 5.268 30 20 JKED CC(C)Oc1ccc(CNC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 588209195 GFIVHALQBUPETE-BETUJISGSA-N 480.371 5.765 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccc(Br)cc3)o2)cc1Cl 589904606 ZXFMAPGUPXHLSZ-UHFFFAOYSA-N 463.744 5.145 30 20 JKED O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1)C1CC1 590445211 MVCRJBTUTQJIFG-UHFFFAOYSA-N 470.366 5.013 30 20 JKED CN1CCN([C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2cccs2)CC1 603746853 BXNYTPFZHZKUOQ-UPVQGACJSA-N 494.064 5.167 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nnc1-c1ccc(Cl)cc1 603764179 GMQCQJNCRZVMIL-UHFFFAOYSA-N 490.976 5.408 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc1 603953693 NEOBKIOQSUYECI-QHCPKHFHSA-N 479.458 5.094 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Oc4ccccn4)cc3)c2)c1 603995992 YKISEJPKAZAOQQ-UHFFFAOYSA-N 464.481 5.015 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2nc(-c3cccs3)no2)cc1 604003174 IDFYAYCGZGMCEX-UHFFFAOYSA-N 458.543 5.405 30 20 JKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccccc1OC(F)F 604047224 MKLQWQMEAQLNCX-AWEZNQCLSA-N 457.864 6.044 30 20 JKED CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604142899 ZJOXKUJECMVLGT-KRWDZBQOSA-N 477.948 5.607 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cccc(C(F)(F)F)c1 608845034 DIMFGGQXMPEAGH-NRFANRHFSA-N 482.462 5.216 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](C)c1ccccc1OC(C)C 609085746 FFBYLMXNWULFHV-HXUWFJFHSA-N 471.557 5.049 30 20 JKED N#C[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(OCc2ccccc2)cc1 609173065 KTCNNDPPXBPTNZ-JTHBVZDNSA-N 477.973 5.103 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319002 MLXHNHOMALXPIB-GOSISDBHSA-N 463.971 6.267 30 20 JKED N#C[C@H](C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347009 VBHQGTSZZZMMMA-MRXNPFEDSA-N 481.364 5.263 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613403445 PPSCFJXMQVYRRI-HXUWFJFHSA-N 496.013 5.655 30 20 JKED C=CCN(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 614536166 HRVASTLZEWPGCW-INIZCTEOSA-N 487.412 5.080 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C 620347557 WOJLOLJASXZMPE-SFHVURJKSA-N 493.514 6.199 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 620552314 OIZDLNSIEBEEAZ-HLIPFELVSA-N 492.435 5.890 30 20 JKED O=C(Nc1ccc(F)c(F)c1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 641851087 GPWOPRYFUZNCKS-UHFFFAOYSA-N 453.264 5.580 30 20 JKED C=CCn1c(SCc2csc(Br)c2)nnc1[C@H]1COc2ccccc2O1 642249997 AEIINFZNTXXAGW-OAHLLOKOSA-N 450.383 5.093 30 20 JKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCN(c2ccccc2C#N)CC1 725720857 UIPAEHFMIZIXKF-UHFFFAOYSA-N 456.546 5.021 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(CC[C@H](C)OC)C2=O)c1 726401678 UTBRPBFOKMLEFH-YCRPNKLZSA-N 490.025 5.042 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccccc3)C2=O)cc1 726422265 WARSLCZMZHBCDL-MYIZPNQDSA-N 491.638 5.541 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc2c(c1)OC(F)(F)O2 727978628 KGSFRIMXFSIJAX-UHFFFAOYSA-N 453.470 5.576 30 20 JKED Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C)n1-c1ccc(C#N)cc1 728274634 VBKFXUBEDRJKED-NRFANRHFSA-N 469.520 5.175 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCCOC3CCCC3)C2=O)cc1 728423183 PQCWBNUVIMEDSB-QHCPKHFHSA-N 494.592 5.007 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 728775888 DZQMULJEQXDROO-LJQANCHMSA-N 474.508 5.360 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ncccc3C)C2=O)c1 729634717 RNRFWJFBFRSZLH-DEOSSOPVSA-N 490.604 5.615 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)cc1Cl 729890240 ZWEMMUOYJIJUQV-GFCCVEGCSA-N 498.185 5.940 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(C2CCC2)C1=O 730461319 BNJDHRHOVVOAPG-JOCHJYFZSA-N 497.020 5.513 30 20 JKED C#CCOc1cccc(OC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 730500737 SVSLXYBZFQSHMU-INIZCTEOSA-N 476.579 5.303 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730687019 LAYUENBRSAZKNW-SOUVJXGZSA-N 451.737 5.415 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 730688155 SHPXXZXKIOWRAD-AEFFLSMTSA-N 470.641 5.351 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1F 730690857 YKNCFODSOSSJJP-CYBMUJFWSA-N 479.455 6.291 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730717173 GKVXGEXTLVHQNY-QFIPXVFZSA-N 490.972 5.642 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 731040287 PXUCBMSQDUOQMU-IRXDYDNUSA-N 469.566 5.153 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)oc2c1ccc1ccccc12 731060286 FRTXIUHGCGFCRM-MRXNPFEDSA-N 458.539 5.942 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sccc1-c1ccc(F)cc1 731077132 GIVLOQQXYAVGLK-OAHLLOKOSA-N 454.548 5.744 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@H](C)c2cccs2)cc1 731312978 UUZITOZIJXHBBK-NYEXXQPOSA-N 495.626 5.052 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H]2CCc3cc(F)ccc32)c1 731315507 GZNALSLGRZTTEQ-JWQCQUIFSA-N 499.567 5.160 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 731400599 QZOGBFRGLURKKC-LJQANCHMSA-N 450.652 6.169 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)c1 744766025 JSFUBDFXQZXMPJ-UHFFFAOYSA-N 476.562 5.159 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)c2)cc1 744780440 CTRSCYMUAFLYLG-UHFFFAOYSA-N 464.569 6.224 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nnc(-c2cccc(C)c2)o1 745956480 BSZFVVCXEOHMLO-INIZCTEOSA-N 467.982 5.908 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)cc(C)c1 746698322 ZVLQBJSSTMKLCR-JOCHJYFZSA-N 471.598 5.220 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1S(=O)(=O)C(F)F 747065673 CJFWEOFGXNDPHL-CLFYSBASSA-N 479.482 5.224 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 747295154 NVVJHNAMSMNWGY-MUUNZHRXSA-N 484.563 5.911 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCc3nccs3)C2=O)c1 747598393 AXNSEWQBGPHZPV-HXUWFJFHSA-N 499.061 5.616 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCc2nccs2)C1=O)Nc1ccccc1F 747600251 OQSGNZIPEJLCSQ-SFHVURJKSA-N 488.997 5.139 30 20 JKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3cccc(NC(=O)C(F)(F)F)c3)c(=O)oc2c1 810234006 VFLMKLZGCQZKEP-DHZHZOJOSA-N 458.436 5.036 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2F)C1=O)Nc1ccccc1F 837743435 BJLLOQDGZMZKHP-NRFANRHFSA-N 469.488 5.264 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 838076146 QLIDHLXKWGUHNN-IVZQSRNASA-N 496.539 5.090 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1F 838539894 HSXKVSZJRLWMRL-QKKBWIMNSA-N 484.503 5.220 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@H](C)Cc2cccs2)C1=O 914692396 XJQCMTYLPREXLT-OPAMFIHVSA-N 497.617 5.487 30 20 JKED Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)cs2)o1 915469057 QJDVOGVNTTXXMD-UHFFFAOYSA-N 466.563 5.302 30 20 JKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)c12 915580894 FEYLJGSVEZSHSX-UHFFFAOYSA-N 466.925 5.009 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2ccco2)C1=O 916207749 JWGKTMYDURVBNN-QFIPXVFZSA-N 463.559 5.066 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC)cc1 916213931 IMLDHGUAHULYOQ-FQEVSTJZSA-N 475.998 5.118 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNc3cc(C)c4ccc(C)c(C)c4n3)cs2)cc1 916542837 AUHYHHGOOPBPLL-UHFFFAOYSA-N 459.575 5.756 30 20 JKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 916877113 YEEBCIYTHHRAOV-AREMUKBSSA-N 467.521 5.352 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916904933 GBCQWBSLMCXDND-QGZVFWFLSA-N 466.925 5.208 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 916910464 HQAGJTIKLQAPQX-AWEZNQCLSA-N 472.353 5.577 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)[C@H](C#N)C(=O)Nc4cccc5ccccc45)CC3)c2c1C 916915683 HHYUEYOMZGDZPQ-NRFANRHFSA-N 483.597 5.025 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 916925754 OOHNCKZXWNYXNI-MRXNPFEDSA-N 472.328 5.327 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3ccccc3)cc2)cc1Cl 916941107 YSCILRHRJJMPRG-HXUWFJFHSA-N 450.947 5.602 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 916948269 FQYTVAWMTBVPEK-MGPUTAFESA-N 484.383 6.442 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977085 JAYCKJWTMMSHRM-GOSISDBHSA-N 453.951 6.301 30 20 JKED COc1ccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997044 ROJKOGYLDUMMNF-SFHVURJKSA-N 473.381 6.355 30 20 JKED Cc1ccccc1[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(N)=O 916997319 VLIRCEZAGZQEOZ-SJLPKXTDSA-N 473.385 5.401 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2cccc(C)c2C)cs1 917532140 PDRKVQGHRNSDRZ-UHFFFAOYSA-N 458.012 5.418 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)ccc1OCc1c(C)noc1C 917644965 PKJXPOPFPSAUDU-SSDVNMTOSA-N 477.567 5.157 30 20 JKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 917941711 UAZXAQQWMYZWGQ-SFHVURJKSA-N 476.964 5.280 30 20 JKED O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 920064181 BHXJVLQWPHSPOJ-DHZHZOJOSA-N 466.609 5.246 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3\COc4c(F)cc(F)cc4C3=O)cc2OC)cc1 920066221 MFKOTMKZWFUGBV-LICLKQGHSA-N 495.478 5.048 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1Cl 920111560 NFEFDNFIMANXOH-SFHVURJKSA-N 452.894 5.099 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2cc(Cl)ccc2s1 920112527 DNHOFQAUTKZVHJ-STQMWFEESA-N 464.761 5.486 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cc3ccccc3s2)C1=O 920477946 DIGNCPFWHLCGDH-GOSISDBHSA-N 491.610 5.484 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccn2)c1 920855331 JJXGYABSYWEIGK-UHFFFAOYSA-N 462.358 5.022 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl 1128677918 NKBPHHJSGNDVOK-UHFFFAOYSA-N 457.317 5.341 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cc1 1785882694 BBFBIXJMMYWOBX-UHFFFAOYSA-N 468.944 5.074 30 20 JKED COc1cscc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786040830 RSRLHXAMWDGBCK-UHFFFAOYSA-N 459.571 5.009 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4c[nH]c5cccc(Br)c45)cc3)CCC2)C1 1786195116 JZBWQSXYBDXLEM-UHFFFAOYSA-N 492.417 5.573 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C(F)(F)F)c3)CCC2)cc1 1786679656 DZWPEFNQYXRHLX-UHFFFAOYSA-N 477.552 5.086 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)ccc1F 1787075695 QPGYLLJIQSXGSZ-UHFFFAOYSA-N 462.912 5.116 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cn5c(Cl)cccc5n4)cc3)CCC2)c1 1788937925 LYPHWUPOPXMOLG-UHFFFAOYSA-N 497.986 5.240 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc5cc[nH]c45)cc3)CCC2)c1 1789094152 ZYOUSMIKGVMFQM-UHFFFAOYSA-N 452.489 5.240 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)cc12 1789275241 XVLZMAQTHQMUDW-UHFFFAOYSA-N 478.552 5.175 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4CNc5ccccc5O4)cc3)CCC2)c1 1789474856 FHYUJZLZMZHHGO-NBGIEHNGSA-N 494.595 5.325 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCCC4(F)F)CCC3)cc2)c1 1790257427 YFQXCBJFKLBLIL-XMMPIXPASA-N 455.480 5.224 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1 1790469558 FMUOTPBJFKPLNL-QFIPXVFZSA-N 483.653 5.254 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccsc3)CCC2)cc1 1790519019 CPPZTILLSJYWIY-JOCHJYFZSA-N 497.661 5.284 30 20 JKED CSc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)cc1 1790837237 XOWVFKFLVPGOAB-UHFFFAOYSA-N 495.608 5.147 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)CCC2)cc1 1791588446 POPZKYCRKJBPRQ-UHFFFAOYSA-N 486.469 5.354 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)cc5nn[nH]c45)CCC3)cc2)c1 1792125274 UJNBXWATSJFZLS-INIZCTEOSA-N 498.974 5.300 30 20 JKED CC[C@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)nc1C(F)(F)F)C2)c1ccccc1 1795567460 COMDXXIWHOCGEQ-QRDGOAKLSA-N 498.549 5.054 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3)nc1)C2)c1ccccc1 1798555256 FJOOODLKYWSDRN-JUDWXZBOSA-N 477.608 5.198 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(C)C[C@@H]1C)C2 1800175886 WBVVXFYVXJHUBU-ADZBJJCDSA-N 491.717 5.315 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1802496553 JODNSTRWILJRHO-ZJSXRUAMSA-N 480.052 5.465 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1803093091 OYIIVQZWZUXSDY-AUSIDOKSSA-N 489.513 5.328 30 20 JKED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1803453709 GGJAJGIDBXEFEF-SKCUWOTOSA-N 494.620 5.024 30 20 JKED Cc1c(Cl)ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(C#N)cc2)C3)c1Cl 1803532442 RWQSZHOZRWWFTA-ACDBMABISA-N 470.400 5.058 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(C#N)cc4)C3)CC2)cc1 1804945941 WZTRXKAJERHQSF-UHFFFAOYSA-N 494.639 5.053 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)C2)CC1 1805894547 RADKSUOPHOMBLI-LADGPHEKSA-N 497.680 5.004 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1810183766 XWSNHXMSHGTWCG-NQHRYMMQSA-N 478.036 5.241 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CC1 1810276087 DHYKHMZSKBZBLI-LYPIBBCQSA-N 481.757 5.355 30 20 JKED Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1Cl 1810277458 QGMBQSKGGUGRJJ-BKMJKUGQSA-N 496.127 5.414 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1811304788 PVJXRJQVCBSQIN-CPJSRVTESA-N 497.624 5.161 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811417911 KQIHDNLCCBFPHE-YADARESESA-N 493.394 5.202 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4)[C@@H]3c3cccnc3)sc2c1 1811797626 YGQUJHOMQZKFJS-BVAGGSTKSA-N 480.593 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1812370944 UHBBCONFOUGJOA-XUZZJYLKSA-N 482.694 5.583 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)[C@H](C)Cc3ccc(F)cc3)[C@@H]2c2cccnc2)c1 1812471957 GARIHQSUKPWDJM-IJUVVNPQSA-N 498.602 5.046 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)[C@@H]1c1cccnc1 1812592664 YFMPXLBEOMJOEI-OMRWSRCMSA-N 492.623 5.533 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1812756252 ZSKXFVPYHIOHEW-DANFDKMISA-N 489.736 5.251 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2)[C@@H]1c1cccnc1 1813935889 IZSUQOVVSMRFRA-RSXGOPAZSA-N 475.633 5.182 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813954042 TVXWZJGTZIXNPW-LMSSTIIKSA-N 483.612 5.051 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1813966055 ZQKJBNHKAMEMHO-GCJKJVERSA-N 491.529 5.552 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c1 1814739423 UCPBMHQGADJJLP-VWLOTQADSA-N 467.573 5.097 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccccc3C(F)(F)F)n[nH]2)cc1 1816909762 XBAFGPFRIQPONV-QFIPXVFZSA-N 495.505 5.043 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2ccccc2F)[nH]n1 1818114024 DHGUOSLSWYNYDK-ARKBFRDHSA-N 494.592 5.064 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ncccc3-c3ccccc3)n[nH]2)c1 1818311067 KLNKTBHENPGAIY-DEOSSOPVSA-N 494.530 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2Cl)[nH]n1 1819303119 QASZSPCQBAOMEO-RXVVDRJESA-N 458.965 5.205 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)c(C)cc2OC)[nH]n1 1819309597 XQHZZNZPNRCRLP-DENIHFKCSA-N 450.583 5.109 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)[nH]n1 1819552733 ZAXIVCULHXBHQV-QFIPXVFZSA-N 479.625 5.203 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cnccc1C(F)(F)F)CC2 1820096999 SMSVPWMXQPHVCS-INIZCTEOSA-N 494.583 5.094 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cccc4ncccc34)[nH]n2)c1Cl 1820218362 STKIRYLPNMSFCA-QHCPKHFHSA-N 498.974 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277868 MBSSRIYZNOHKPU-DYESRHJHSA-N 451.958 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821609871 NUCFXZLNHIJKAX-UYAOXDASSA-N 493.589 5.607 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(OCC)c(OC)c2)n[nH]1 1822274262 ZZNSZHQXSFXALZ-OAQYLSRUSA-N 482.625 5.044 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)[nH]n1)c1ccc(F)cc1 1822285638 LKOJLPRTOLERNS-SQHAQQRYSA-N 487.579 5.095 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2cccs2)[nH]n1)c1ccc(O)cc1 1822469517 NAFQCYZRMHBYBK-XQFWAAQXSA-N 490.629 5.170 30 20 JKED O=C(CCCC(F)(F)F)N[C@@H]1CCc2nc(NC(=O)c3cccc(C(F)(F)F)c3F)sc2C1 1823301115 SZKXLSMVOQSCNC-SNVBAGLBSA-N 497.436 5.259 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)n[nH]1 1823348772 PEPWZPKXMXSAOA-CTNGQTDRSA-N 489.661 5.089 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[nH]n1 1823421302 WNEJUBUFHQJXRX-JYFHCDHNSA-N 476.527 5.327 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)CC1 1823669842 GWCIWROFYMHFHI-FQEVSTJZSA-N 466.453 5.614 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)CC1 1823997137 DNTUPNGUIANNQR-XMMPIXPASA-N 454.680 5.037 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1824542239 UBXXDVKPOOUNLF-DHIUTWEWSA-N 474.070 5.076 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824874692 ZGPRUUHTRQGOQO-IBGZPJMESA-N 496.467 5.810 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)CC1 1827720586 LISPAZHFHBZEGO-QHCPKHFHSA-N 480.678 5.431 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cscc2OC)CC1)c1ccccc1 1827912369 UZDCDYRXNAOYQK-ILBGXUMGSA-N 478.658 5.187 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1 1828823365 FTDZBHUQNFDFBU-IZLXSDGUSA-N 477.693 5.291 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C#N)c2)CC1 1828827158 IYEROBMCVDUBFL-UPVQGACJSA-N 498.465 5.322 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1828827676 RFYLWUKMWIWTIW-IZZNHLLZSA-N 493.648 5.035 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828828934 VBIHIQDGTSFPPK-SHQCIBLASA-N 475.633 5.245 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccoc2)CC1)c1ccccc1 1829029596 DAELTLHLWWIJSK-WUEBPXKCSA-N 458.602 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829690169 OEDBTNRBXZAIDI-QFIPXVFZSA-N 456.030 5.437 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829869804 ZUOQVWJFQYTUEI-RDPSFJRHSA-N 490.673 5.368 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)cc1 1830627023 HUQHNJWIWFSEFV-VWLOTQADSA-N 481.999 5.021 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830720955 PADVPIIEGNPEPZ-SIBVEZHUSA-N 494.035 5.257 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830805857 JPLISMGOGROTLV-RUZDIDTESA-N 479.571 5.415 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sccc3c2O)CC1 1832034636 QDYITXIMMDSKDS-QFIPXVFZSA-N 452.620 5.034 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)cc1 1832623248 GHCIUWIZRNPPEG-VWLOTQADSA-N 481.999 5.217 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)cc1C#N 1832702013 ALHOZAQMSBAPHI-VPUSJEBWSA-N 491.607 5.290 30 20 JKED CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1)c1ccccc1 1837634458 IXYBNNZQRBWGNJ-DEOSSOPVSA-N 494.035 5.018 30 20 JKED C[C@@H]1CCC[C@@H]1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1838297174 HQQNZBXBZYSNAJ-HLADLETHSA-N 498.667 5.135 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)c4cc5sccc5s4)CC3)CC2)c1 1838312788 ODHNUGYYRFYSHB-UHFFFAOYSA-N 493.654 5.069 30 20 JKED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)c2ccccc2CSc2ccccc2)C1 1845475334 XVCQTGBDWHOQPD-UHFFFAOYSA-N 456.558 5.007 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 9823373 ZLZOBDXJZSQSJK-JOCHJYFZSA-N 474.417 5.388 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)cc(F)c2)c1 18254029 HDHNRNDGZQBGCZ-UHFFFAOYSA-N 492.931 5.260 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 20049559 VDJLPMIYURJSAD-UHFFFAOYSA-N 494.045 5.992 30 20 JKED COc1ccccc1N(C(C)=O)c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1 21515103 GRXZKVQWPYPLPJ-UHFFFAOYSA-N 478.521 5.723 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccs4)o3)c2C#N)C1 23643101 CNONYTRSVRFCIE-ZDUSSCGKSA-N 472.661 6.003 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ncccc23)nnc1-c1ccc(Br)cc1 24015771 AIYCKNDCYRWBRW-OAHLLOKOSA-N 494.418 5.561 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(Cl)cc3)n2)nnc1-c1ccoc1C 24827117 RPBDZAKUTFWLFB-UHFFFAOYSA-N 458.996 6.014 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl 71919605 VROMLZIMUKWMSQ-UHFFFAOYSA-N 459.358 5.847 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 106116108 DOJJHSUKCFOIFX-UHFFFAOYSA-N 465.509 5.651 30 20 JKED C=CCn1c(SCc2cc(Br)ccc2F)nnc1[C@H]1COc2ccccc2O1 116009891 KLIVBJKJAHGCBB-GOSISDBHSA-N 462.344 5.171 30 20 JKED O=C1/C(=C\c2ccc(O)c(Cl)c2)CN(c2ccccn2)C/C1=C/c1ccc(O)c(Cl)c1 207716358 NLWNWMXPMXXMMG-XFQWXJFMSA-N 453.325 5.356 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccncc1 255929697 KSNUICWUFAXOPY-IBGZPJMESA-N 471.586 5.224 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc(Br)cc1 255941643 QNAFWJPSCZMTSC-UHFFFAOYSA-N 481.778 5.417 30 20 JKED C=CCN(C(=O)CCNC(=O)c1cc(F)ccc1Br)c1nc(-c2ccccc2)cs1 410149947 YKTGKKMDJQCDRQ-UHFFFAOYSA-N 488.382 5.051 30 20 JKED Cc1nc(C(=O)N(Cc2ccco2)c2ccccc2C#N)nn1-c1c(Cl)cccc1Cl 476832805 MXVNCILTMZQDTM-UHFFFAOYSA-N 452.301 5.194 30 20 JKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 480123480 KNNOJYQDHPSAHM-DEOSSOPVSA-N 474.992 5.751 30 20 JKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487348973 CYLUMGLICUYWEJ-UHFFFAOYSA-N 470.398 5.599 30 20 JKED C=CCN(C(=O)c1cc(-c2cccc(Cl)c2)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 499314027 GXAAPCCANFCRGY-UHFFFAOYSA-N 466.906 5.860 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)nnc1-c1ccc(Cl)cc1 499623177 BACWZROHMIUIHG-UHFFFAOYSA-N 493.976 5.361 30 20 JKED N#C[C@@H](C(=O)c1cc(Br)c2c(c1)OCCO2)c1nc(-c2c(F)cccc2F)cs1 501367277 YGMORLUQSKJOMX-NSHDSACASA-N 477.286 5.112 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c1 503612094 QWHBPIZOUNKQRG-IBGZPJMESA-N 462.521 5.176 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 508860917 GKSZBIUPFXQBPV-HXUWFJFHSA-N 489.626 5.179 30 20 JKED CCn1c(SCC(=O)Nc2cc(C#N)ccc2OC(C)C)nnc1-c1ccc(Cl)cc1Cl 509581647 BTHLBDJAAWTWOS-UHFFFAOYSA-N 490.416 5.661 30 20 JKED COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 509646576 NJUWVJDAVQCOQZ-LJQANCHMSA-N 475.353 5.236 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)c2C#N)C1 510772567 KRIJFKOQYOYGKB-SFHVURJKSA-N 460.603 5.023 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 511741856 OOZRBYFBBWHVEF-UHFFFAOYSA-N 472.442 5.097 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)n1 512963142 AFOWDVDHHQDWRY-INIZCTEOSA-N 484.990 5.231 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1OC 514357451 NLNHJZMCKVWPET-IBGZPJMESA-N 463.607 5.018 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 514559307 ZEMZNRXXNCUADK-UHFFFAOYSA-N 472.379 5.156 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 517455471 KUQJBMSKFBIDOF-INIZCTEOSA-N 486.018 5.645 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518151320 PKNKVUVOJWSTRP-UHFFFAOYSA-N 460.481 5.548 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 518165508 HIJJVXDQXBOAIA-JXFKEZNVSA-N 461.006 5.689 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1 518574941 LXNNMLJGNDCTJB-HHHXNRCGSA-N 493.563 5.091 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cc1C 519883293 URDQSHNGZMSSSM-UHFFFAOYSA-N 461.587 5.027 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 520427778 YZYAZGYZYZRQIN-LBPRGKRZSA-N 459.543 5.933 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccc(C(F)(F)F)cc2)no1 520819000 KOISNUGCWOIUFH-CQSZACIVSA-N 492.548 6.022 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 521738111 CKISTKMFMBYMHA-OALUTQOASA-N 486.597 5.007 30 20 JKED CC(C)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 521772315 PIMZUFWZQYFBLR-UHFFFAOYSA-N 450.404 5.195 30 20 JKED Cn1ccnc1[C@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccccc1F 521821878 CAKURJXIPUDHJB-MJGOQNOKSA-N 461.381 5.310 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 523561116 HBZAFDLUFGFENL-OAQYLSRUSA-N 498.652 5.598 30 20 JKED Cc1ccc(-n2nc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c3c2CCC3)c(F)c1 593021523 GTAAWNYULDUIDQ-CHWSQXEVSA-N 477.424 5.448 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccco1 597564306 VWJGWUSPXPVHAK-LJQANCHMSA-N 487.585 5.022 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 603601225 IHXKUOYPZIEUPB-UHFFFAOYSA-N 468.513 5.419 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 603738868 YGFCBEFYGCWLIW-UHFFFAOYSA-N 481.409 5.650 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)o1 603953598 RVKOMHRGPIWVIL-UHFFFAOYSA-N 469.419 5.350 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604016046 FFVPRXQUPCEETF-GOSISDBHSA-N 483.499 5.613 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 604090291 MSYIVZOJXAHLIB-UHFFFAOYSA-N 454.939 5.112 30 20 JKED CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 608865258 JJDHZPKZBHKHPX-UHFFFAOYSA-N 462.937 5.166 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)COc2ccccc2OCC(F)(F)F)cc1 609012402 YATNPHWIOYUBJV-UHFFFAOYSA-N 472.419 5.318 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)c1 609065137 ZCHQWPGDJWRODZ-UHFFFAOYSA-N 459.452 5.642 30 20 JKED CN(C)CCOc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079461 DPFRFXNBWUGBRH-UHFFFAOYSA-N 478.980 5.053 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2Cl)c1 609079498 FCVLCZUGISIRIY-UHFFFAOYSA-N 491.935 5.053 30 20 JKED N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 609108722 JQKGOOGUYCFDAB-QHCPKHFHSA-N 459.937 5.463 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)c2)cc1 609209748 KOZSKKZJXXUIFO-UHFFFAOYSA-N 486.535 5.920 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1c(Cl)cccc1Cl 609255140 KHSQWNYJVLJJFU-UHFFFAOYSA-N 483.355 5.085 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccccc4S[C@@H](C)CC#N)c23)cc1 609370558 DHLVWCGOXITHTN-KRWDZBQOSA-N 490.679 6.792 30 20 JKED C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(NC(=O)c2ccccc2)c1 609436123 GWERESGXTYTZRV-MOPGFXCFSA-N 458.587 6.216 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609439301 LAVPRCQCDXQDFW-HNNXBMFYSA-N 490.398 5.136 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)n2)cc1 609563149 WJYZNJZAFGJFIJ-UHFFFAOYSA-N 466.566 5.326 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2c(C(C)C)noc2n1 620347553 RMIMMIPYDVREQC-OAHLLOKOSA-N 471.369 6.575 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccccc1OC 639429428 LVWMTCSXFMFMCC-QFIPXVFZSA-N 450.608 5.512 30 20 JKED COc1ccc(C(=O)Nc2nc(CC(C)=NNc3ccc(Cl)cc3Cl)ns2)cc1OC 725806143 UWTMWRQRRKDEST-UHFFFAOYSA-N 480.377 5.145 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)c1 726411232 HIFRWNRYEZWJDW-VWLOTQADSA-N 482.609 5.149 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)c(F)c1 726411355 LGAOONBRAOIJPT-QGZVFWFLSA-N 482.364 5.287 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCC(C)C)C2=O)c(OC)c1 726422264 UXYUXCAJZUVBGG-WSJNKUPNSA-N 489.663 5.201 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccc2-c2ccc(Cl)cc2)C1=O 726738086 PPOZUYGNSGRHQC-HSZRJFAPSA-N 489.000 5.146 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C#N 728425449 NFBXPHHJRQLTGH-SBUREZEXSA-N 499.621 5.083 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1F 728426405 UAHIIQSDNUJASC-GAJHUEQPSA-N 487.560 5.122 30 20 JKED N#Cc1ccccc1N1CCCN(Cn2nc(COc3ccccc3Cl)n(C3CC3)c2=S)CC1 728709998 IXZAQVSFIYAZOM-UHFFFAOYSA-N 495.052 5.023 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 728776159 KWADERRKCIFTEK-HSZRJFAPSA-N 474.561 5.633 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 728778636 TYOGPFVPOXGPJX-LJQANCHMSA-N 458.946 5.133 30 20 JKED COc1ccc(-n2c(-c3ccccc3Cl)nn(CN(CCC#N)CC3CC3)c2=S)cc1 728904493 KMFOVUYIVWGRBT-UHFFFAOYSA-N 453.999 5.315 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)[C@H]2c2cccs2)cc1 729417591 OUOZWWVKDDEDIM-LSYYVWMOSA-N 499.636 5.483 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](c2ccccc2)C2CC2)cc1F 730717994 DSGMWHZDSKQGSW-XUZZJYLKSA-N 489.576 5.036 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(CC)c2)N(Cc2cocn2)C1=O 730718604 LWERRUPTUOLLJV-HSZRJFAPSA-N 492.601 5.186 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 731062535 DJNDWBXAMNGEJM-INIZCTEOSA-N 479.583 5.190 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2Br)C1 731114217 KCENZSWVLAMKQJ-KXBFYZLASA-N 460.397 5.306 30 20 JKED CC(C)CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731304736 AFICMEKJMSIRNI-NRFANRHFSA-N 490.025 5.069 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(F)cc1F 731311082 WAWHYLAELAZEBK-QFIPXVFZSA-N 481.524 5.139 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 746664308 MMIWKLINPGFJTI-FCSFWHPOSA-N 496.658 5.356 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCc3nccs3)C2=O)cc1 747601387 FQBIMMBTVDHNHG-FQEVSTJZSA-N 482.606 5.102 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 750396599 BSIRKPNEGVAISH-RDJZCZTQSA-N 488.794 5.193 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O 799209833 GIOCAPYOLXJOQI-FQEVSTJZSA-N 487.503 5.371 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(F)c(Cl)c1 799214054 FRIPATOYOCIXGC-QGZVFWFLSA-N 470.353 5.121 30 20 JKED COc1cc(C#N)ccc1OC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 818031543 KZBLXPZSOUDQQL-UHFFFAOYSA-N 470.432 5.114 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N([C@H](C)CCc2ccco2)C1=O 837831758 IBOPRRBGEYITQC-DVECYGJZSA-N 491.613 5.578 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)c(F)c1 883978105 GAHILYZWYYAUCL-TXEJJXNPSA-N 454.411 5.769 30 20 JKED N#Cc1c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)sc2c1CCCC2 914109808 JUZMSHUUXVAVBT-GZTJUZNOSA-N 473.670 5.180 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)c(Cl)c1 914539533 DUUBJGBXMXGYME-DJJJIMSYSA-N 480.417 5.208 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 914692637 UTLQMUZNDUGSKO-UHFFFAOYSA-N 496.654 5.380 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2cc(Cl)ccc2OCc2cccnc2)cc1 914693716 MEFXIONHWMNDFI-UHFFFAOYSA-N 465.966 5.142 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 915086107 HCPSRJXGJRCEDJ-SANMLTNESA-N 473.532 5.510 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1nc(-c2ccccc2)cs1 915797732 ODWQHMYQPUVUBW-HXUWFJFHSA-N 468.563 5.982 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cs1 915848972 FULIJUXSPBXMSC-YBFXNURJSA-N 483.018 5.990 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccccn2)C1=O 916205627 IHMPZDGGWPTLRT-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC2)C1=O 916211483 OFFGZTQVCNUNHS-FQEVSTJZSA-N 457.983 5.252 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1Cl 916211856 RJPDJWZAOIMMQH-INIZCTEOSA-N 452.338 5.255 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(C3CCCC3)C2=O)c1 916217204 HYXSIOWEMCQWCQ-HSZRJFAPSA-N 481.618 5.224 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=Nn1cnc2sc3c(c2c1=O)CCCC3 916288502 HUKJPSQZNMWCKQ-UHFFFAOYSA-N 458.374 5.020 30 20 JKED COc1ccc(C=NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c(OC)c1OC 916316915 PHECQISHACIDTI-UHFFFAOYSA-N 468.575 5.115 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1F 916344922 QEKWRJRVHRRXIP-UHFFFAOYSA-N 482.924 5.136 30 20 JKED COc1ccc([C@H]2[C@H](C(=O)Nc3cccc(OCC#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1 916411171 RUBGVWPEIHSPDD-VPUSJEBWSA-N 469.541 5.029 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cccc(OCC#N)c2)n1-c1ccccc1 916411508 ZNZLSNJWTFETPM-UHFFFAOYSA-N 499.596 5.096 30 20 JKED COc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)ccc1OCc1c(C)noc1C 916541165 IKZDYCQNZLZYQA-UHFFFAOYSA-N 499.596 5.385 30 20 JKED N#C[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916652522 BIVCKBFMAUDECM-NRFANRHFSA-N 453.567 5.674 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c(F)c1 916683648 BPDHUBHPXGGDKX-HSZRJFAPSA-N 490.966 5.691 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(N3CCSCC3)cc2)cc1OCC 916835532 MHFOPVPZLLPAER-UHFFFAOYSA-N 477.468 5.256 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc(N)nc(Nc2ccccc2)n1 916881773 ZAIXQRRPGDSSDO-SIKDUDHDSA-N 472.961 5.469 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(SC(F)F)cc1 916888166 SJBUBJFXBORKDM-KRWDZBQOSA-N 475.904 5.590 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916915751 IKUGSZZHPBWLJI-OAQYLSRUSA-N 450.454 5.453 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2cccc3cccc(Cl)c23)cc1Cl 916938538 NEFYNMLRPSGFSY-HNNXBMFYSA-N 459.354 5.595 30 20 JKED N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 917043747 OIZSPBPWEVJPCK-CYBMUJFWSA-N 460.424 6.302 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cccc(C)n2)C1=O 917680189 GMVWXBZOFATQTE-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)cc1 917680370 BXIQJOARAYDBSU-DSNGMDLFSA-N 490.673 5.145 30 20 JKED C[C@@H](OC(=O)c1[nH]c2ccc(Br)cc2c1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 919338224 ZGMCLGJLTFTTRX-GFCCVEGCSA-N 492.732 5.215 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(-c4cc(Br)cs4)no3)n2)cc1 920109452 FEIUNHHPKKBBAS-HNNXBMFYSA-N 499.415 5.802 30 20 JKED C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1351739028 MXWZWHCCVOZNGP-MRXNPFEDSA-N 456.527 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)CCO2)C1 1779244142 IVCCJEJZAGWGJK-RUZDIDTESA-N 497.463 5.217 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1O 1785983835 GSIRGGJOQGVYHG-IBGZPJMESA-N 483.568 5.018 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1786367393 MNYUWMQXNBIWOA-UHFFFAOYSA-N 485.506 5.308 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cnc5cc(Br)ccc5c4)CCC3)cc2)CC1 1787880071 KLMYWWUJDSSOMA-UHFFFAOYSA-N 489.373 5.049 30 20 JKED CNc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1 1788002867 FVFQMTIWOZXVIF-LJQANCHMSA-N 452.558 5.417 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788367578 LRICMVXQJZUSIF-QGZVFWFLSA-N 494.979 5.544 30 20 JKED C[C@H](Nc1nccs1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1788621565 HJPWESWNRINVMO-MSOLQXFVSA-N 473.602 5.018 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3csc4c3CCCO4)CCC2)cc1 1788649754 WIXILAPNUSQUPT-ZHACJKMWSA-N 492.622 5.321 30 20 JKED CC(C)[C@H](C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1)c1ccccc1 1789574173 WPBHXTWPYVHZRE-GBCYJOOSSA-N 457.574 5.272 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)ccn4)cc3)CCC2)cc1 1789827717 IEIUSMRZQPFRQF-UHFFFAOYSA-N 478.474 5.228 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)n3cccc3)CCC2)cc1 1790519661 RPSNFGRXMZGFJZ-OFNKIYASSA-N 494.636 5.043 30 20 JKED COc1c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)ccc(F)c1F 1790766628 AHODYTLYSYJWRV-UHFFFAOYSA-N 479.458 5.046 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)nc4ccc(F)cn34)cc2)CCC1 1790994210 CXWCEXPSQUMFQY-OAHLLOKOSA-N 488.485 5.452 30 20 JKED C/C(=C\c1cccnc1)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(C#N)c3)CCC2)cc1 1791852798 QWGYAMOBGTUQIQ-HMMYKYKNSA-N 450.542 5.113 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn5cccc(F)c45)CCC3)cc2)c1 1792126790 LZAWYUSPGSYBPE-GOSISDBHSA-N 481.531 5.162 30 20 JKED Cc1ccn2c(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@@H](C)C#N)c5)cc4)CCC3)cnc2c1 1792127210 UARRDXXRJPEWFK-FQEVSTJZSA-N 477.568 5.331 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)CCC2)cc1 1792262782 VZYMYVOHCZWGSN-VWLOTQADSA-N 489.616 5.108 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C2 1792573866 IAOXUVVVTXLTAH-NUNAXRQHSA-N 489.701 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1 1797985815 JQQUSTQBLLPUKP-REPLKXPHSA-N 461.528 5.431 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 1802139125 NTVAZSVKSNCLSV-BJESRGMDSA-N 489.701 5.091 30 20 JKED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1802685622 ILORYWGIDKLDTI-LJXOIELBSA-N 493.051 5.265 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1802718161 LRCNRVSQEGEVBV-JTHBVZDNSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1803090067 FPQIVDFXKIFTIO-GMAHTHKFSA-N 487.522 5.068 30 20 JKED O=C(CCC1CCC1)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1803378225 UGNJDXOCGTZJSA-VEEOACQBSA-N 491.635 5.381 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1Br 1803903604 BYYKXPZOXAIXON-BJWYYQGGSA-N 465.819 5.123 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1810171224 BXZRFLCJYHIYOM-GZGNHOFSSA-N 485.550 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1810172012 HQEOSXNSNFIPLL-QKNQBKEWSA-N 475.511 5.090 30 20 JKED O=C(C#CC1CC1)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810400250 LBEAGKIIMXHIMR-UHFFFAOYSA-N 477.608 5.160 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@@H]1c1cccnc1 1810489127 KDQCPVLPXVVSFZ-PGRDOPGGSA-N 457.977 5.186 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811250724 BNIDXTBQKVNAHT-XCZPVHLTSA-N 491.616 5.176 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811439867 YJALNWOUOGRDTF-YIXXDRMTSA-N 489.616 5.127 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1)C(F)(F)F 1811723337 WRGFNHTZQXTRMP-HYBUGGRVSA-N 495.501 5.312 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)[C@@H]2c2cccnc2)c1 1811793109 NLBQDXRWXRWXIW-FDDCHVKYSA-N 497.357 5.033 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1ccccc1 1811907983 RWUMTQMIFKRGHQ-STXQHDJLSA-N 486.015 5.252 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1812235808 YOQWVTNTNJZJHK-DFIYOIEZSA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812508616 IYLUUNRADORPGD-QQKQFIJSSA-N 485.550 5.117 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1812515677 DQKJOIRDMVIBOU-HFZDXXHNSA-N 486.443 5.221 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1813230176 GEYPQJLXOWYKGJ-NEEKEDPPSA-N 481.640 5.375 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@]2(F)CCCC=C2F)[C@@H]1c1cccnc1)c1ccccc1 1814284086 GOAMOOKUBPZHJT-JNCGJTRXSA-N 491.582 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cccc3ncccc23)n[nH]1 1815179572 NSSBQEHONUCIDQ-HSZRJFAPSA-N 459.594 5.185 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1 1815209063 WPWYFLLKDZPXAM-GOSISDBHSA-N 465.381 5.005 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)c1 1817745600 SQONSKQHIMAYND-VWLOTQADSA-N 490.567 5.272 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819028872 HWZZABCKWIWZBH-QGZVFWFLSA-N 461.572 5.177 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Br)cc3s2)n[nH]1 1819076221 ARLKGTNNHIYVNU-ABAIWWIYSA-N 493.452 5.011 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1819556678 KANSQTFJFDUGSI-JOCHJYFZSA-N 477.609 5.367 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)C(C)(C)C#N)[nH]n3)ccc21 1820225580 JSAXXXYAGSMVLD-DEOSSOPVSA-N 482.588 5.393 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)c1 1820434247 CNJXLWALVHKEPT-LJQANCHMSA-N 486.334 5.347 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)[nH]n2)c1 1820487308 UCDFDXRFENMCIE-HXUWFJFHSA-N 485.441 5.059 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)[nH]n2)cc1 1821182353 PALNAQJFIGXGBP-VWLOTQADSA-N 490.567 5.157 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)[nH]n2)c(Cl)c1 1821277990 BUCVLZQLBMUWPL-MRXNPFEDSA-N 474.373 5.269 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)c(C)o1 1821308823 IIJLCCZUSVNHMX-FQEVSTJZSA-N 485.466 5.130 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)[nH]n1 1821986833 ONXOVBGCIQWAQJ-SFHVURJKSA-N 471.533 5.051 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1)c1ccc(O)cc1 1822021182 LJOFSRMEQXAXHR-KHSUQFHWSA-N 488.632 5.131 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)n[nH]1 1822288322 JFASZXQXXSVZGI-RDGATRHJSA-N 452.574 5.174 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)c1 1823211493 NMMHUGUVEJTDNP-DCFHFQCYSA-N 491.595 5.739 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 1826509853 CFDZQTAOLQYNBX-XMMPIXPASA-N 483.534 5.053 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3nccc4occc34)CC2)c1 1827307067 ZPVQFNZWPYIDND-CYFREDJKSA-N 470.573 5.002 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827334297 LGUPCGPMDDUPEC-HHHXNRCGSA-N 471.645 5.484 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)c2[nH]1 1828208755 AALSDBLFOFEJBM-AREMUKBSSA-N 491.752 5.761 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828466187 VBTYAJXJXVKBRJ-GOSISDBHSA-N 494.451 5.420 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828508276 CQLDQHCINDCPRQ-VXKWHMMOSA-N 495.611 5.374 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2ccc3c(F)cccc32)CC1 1828824463 LLCJIHJVKZJGJV-DHLKQENFSA-N 465.613 5.169 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCNc2ccc(C)cc2C)CC1 1828826294 BBQRIUPQIVRTTO-BDYUSTAISA-N 465.682 5.494 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1)c1ccccc1 1829032069 IXFRFDWIAUNCJK-DHIUTWEWSA-N 467.009 5.364 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2CC)CC1)c1ccccc1 1829032987 TXZQTZOVZPOSRO-ZCYQVOJMSA-N 477.674 5.136 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncoc3c2)CC1)c1ccccc1 1829033652 YWDVNQRNKYTRSY-AHKZPQOWSA-N 483.612 5.258 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1829950741 NPGSHPCKQWVWQR-RUZDIDTESA-N 474.992 5.240 30 20 JKED Cc1ccc(CSCCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829957281 HIMHYHBQNUIOHJ-MHZLTWQESA-N 489.685 5.424 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 1830016677 LUOOHJPBTICVSK-HSZRJFAPSA-N 487.497 5.263 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c(F)c1 1830016815 LUQIMKGOVBQWGY-SANMLTNESA-N 477.580 5.032 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)CC1 1830115554 VVWYWNHRBWQWRO-GMAHTHKFSA-N 459.030 5.350 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1830410030 CUUDSGWRDIUHHP-QFQXNSOFSA-N 478.637 5.024 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c(C)c1 1830696053 VFFLSLFRQWKWQS-JJNABOQBSA-N 494.657 5.046 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)c1 1830697862 JXHFSLRBIGOWEL-CUNXSJBXSA-N 487.644 5.486 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755362 XGOLIAJNMUONCL-FQEVSTJZSA-N 499.524 5.492 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1 1830770726 HYHFOLLDGOACSB-MHZLTWQESA-N 455.602 5.291 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)c1 1830770732 IENGSXVKOUJJMX-VWLOTQADSA-N 480.008 5.076 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1831373062 MQEHAINPOKYTCJ-CJAUYULYSA-N 468.041 5.642 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnc3[nH]ccc3c2)CC1 1831727532 KKEDZNYBOQKQMD-DEOSSOPVSA-N 464.654 5.108 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C)c2)CC1 1832029880 UNYGHABWVMMQSU-QHCPKHFHSA-N 473.455 5.184 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832631253 BKLFAAUHEGVDSV-OREGWCPLSA-N 472.633 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1832633140 CMPWPXRFJLZUIE-XHCCPWGMSA-N 486.591 5.481 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832905578 YDBLONUCBMICPJ-OTOIZHKDSA-N 467.610 5.220 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1838375053 VAEWTXPGSHTWGW-RUZDIDTESA-N 460.703 5.750 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)C1 1844241741 HTQSZZLVYUUHFV-FQEVSTJZSA-N 483.653 5.333 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(F)cc2F)cc1 11247233 OJQFNYVHNLXJGE-UHFFFAOYSA-O 466.360 6.172 30 20 JKED Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1Cc1ccccc1 16768386 ZKUZVZNUHYRJKH-MRXNPFEDSA-N 477.977 5.539 30 20 JKED Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2C)cc1 17099819 JUGVLBJLFLXQBZ-HNNXBMFYSA-N 451.621 5.112 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1 22718677 GLHACSXUODQXJY-IBGZPJMESA-N 497.068 5.199 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)NCCc2ccccc2)cc1 22735610 HGWCVZHFWDPCDR-UHFFFAOYSA-O 453.578 5.321 30 20 JKED C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 23284793 DHPQRUDKIHEPCE-CQSZACIVSA-N 477.640 5.537 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nc2sc3c(c2c1=O)CCC3 23405312 FDMTUCVTZREWRY-CYBMUJFWSA-N 460.024 5.214 30 20 JKED CN(Cc1ccccc1Br)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 71944213 KKSACEXWDUHANU-UHFFFAOYSA-N 463.335 5.237 30 20 JKED COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 108325424 FCKCPJGXNBDOAP-UHFFFAOYSA-N 477.520 5.504 30 20 JKED C=CCN(C(=O)[C@H](C)OC[C@H]1CCCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 109234240 CCRSBRUODFBUOZ-GOEBONIOSA-N 455.407 5.610 30 20 JKED CCc1ccc(NS(=O)(=O)c2cc(C(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)ccc2OC)cc1 115763102 RIZSURHWFWEREK-IBGZPJMESA-N 491.613 5.153 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1 195681483 JGQJUIGMKNKWHX-UHFFFAOYSA-N 464.594 6.303 30 20 JKED C=CCN(C(=O)c1csc(-c2cnccn2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476705502 YPPITXBVTJBRGS-UHFFFAOYSA-N 474.398 5.863 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)c2)cc1 486041435 FKCNMWLFLAQFSS-JOCHJYFZSA-N 486.547 5.353 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CSCc3cc(-c4cccs4)on3)c2)c1 488628071 NPNCSZHFDYXUQB-UHFFFAOYSA-N 461.568 5.726 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 496307393 JMNBAUIBKCWILG-UHFFFAOYSA-N 476.573 5.569 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 497882381 IQHPAFYYBBOALJ-KRWDZBQOSA-N 462.512 5.340 30 20 JKED CCCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H](C)c1ccccc1Br 498367397 LHISEGJNTBYLOC-KRWDZBQOSA-N 477.424 5.140 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC 499533808 LVHMAGMLJONCNH-UHFFFAOYSA-N 488.444 5.674 30 20 JKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 501712929 HKFBACLIPFHCRA-UHFFFAOYSA-N 483.568 5.414 30 20 JKED C=CCN(C(=O)Cc1ccc(NC(C)=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502956736 LYPDJFSUNQYMOD-UHFFFAOYSA-N 460.386 5.837 30 20 JKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 503003576 HBOWBKULZRUOIF-UHFFFAOYSA-N 464.525 5.946 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 504806279 NXLDXBORQOHJGY-HNNXBMFYSA-N 453.420 5.235 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccccc1OC 505227163 TUKCSPWMASIQCN-MOPGFXCFSA-N 472.614 5.651 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 509976167 KEMFNUIGTWIWDJ-HXUWFJFHSA-N 496.032 5.357 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(NC(=O)C2CCC2)c1 510556432 ZHWWCXUKYXMICX-UHFFFAOYSA-N 454.530 5.719 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccsc3)CC2)cc1Cl 511570899 GHDUKUFRXXRDKL-OAQYLSRUSA-N 464.978 5.047 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1 513869964 SIJWJMRHCCBLPF-UHFFFAOYSA-N 492.554 5.862 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 515794897 JOPPCURDXDERMF-HHHXNRCGSA-N 469.541 5.376 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccsc3)cc2Cl)cc1 516022806 BZDVZSPMAMSKIS-HXUWFJFHSA-N 451.935 5.368 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4ccccc4C#N)c3)n2)cc1 516270439 YVJRJLGQQDSHFS-XMMPIXPASA-N 465.534 5.759 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccs1 516471504 YNHOKZAQMDJNKR-QHCPKHFHSA-N 461.587 5.235 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 517130803 XIGFSOQLXXMJBX-AWEZNQCLSA-N 469.328 5.210 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 517473726 RPPHTQHQAGKTDK-ZIAGYGMSSA-N 476.396 5.355 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1Cl 518151905 UJSYQTAJGAJHTI-UHFFFAOYSA-N 483.943 5.397 30 20 JKED CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 518658674 QLKHIJZQHQQZJJ-HSZRJFAPSA-N 482.005 5.278 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 519441206 FXAAMBVKEROXAM-MOPGFXCFSA-N 463.628 5.728 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 519879257 IPRQPWXBIXKLPJ-UHFFFAOYSA-N 465.893 5.194 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521209734 IVILTELLZQHASY-KRWDZBQOSA-N 491.667 6.559 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@@H](C)c1ccc(F)cc1 523636191 JUUCSZFDJZXBEG-KRWDZBQOSA-N 461.493 5.046 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1 524383808 XBVALTHMNGIJRG-UHFFFAOYSA-N 479.527 5.245 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)c3cccs3)cc2)c1 553680843 UBSUYNWHMKKWRE-XMMPIXPASA-N 487.968 5.910 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)n(C2CCCCC2)c1C 557259143 IIJSEBNHMWIDMQ-UHFFFAOYSA-N 469.998 5.916 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 557529307 VQDKYSQEFJTBBX-CYBMUJFWSA-N 467.900 5.356 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1 603529956 UFMAHOREQQRLPY-UHFFFAOYSA-N 461.587 5.076 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)cn2)c1 603692409 UHBHLXYROHVTHC-UHFFFAOYSA-N 496.354 5.042 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c12 603727242 JGSBECWFBTWAJH-UHFFFAOYSA-N 456.575 5.620 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cc(F)cc(Br)c3)c2)c1 604085437 IAMGFVGQMDHVIA-UHFFFAOYSA-N 467.298 5.034 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1Cl 604143419 WQMLBVJNOCASOU-VPUSJEBWSA-N 497.957 5.979 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)N(CCOC)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1 604534142 SFAXYQONYXHCGH-MRXNPFEDSA-N 465.541 6.148 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)CS[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nc1 608970313 YVSRZIOCZMZFFX-AREMUKBSSA-N 477.033 5.214 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 609028684 NHQALTBMYPKRHS-NDEPHWFRSA-N 489.579 5.392 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)cc2Cl)c1 609062937 LIDIQMUBTWWLIH-UHFFFAOYSA-N 460.946 5.490 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NC[C@H](c3c(F)cccc3Cl)N3CCCC3)o2)cc1 609070470 DFDRTUPTAAXCFG-JOCHJYFZSA-N 467.928 5.090 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC(F)F 609078441 RFHBTVGVKGZGOW-UHFFFAOYSA-N 467.472 5.377 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1cc(C#N)ccc1OC(F)F)CC2 609080983 BYSMCFLGRXEMQP-QFIPXVFZSA-N 485.512 5.418 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 609209664 IHGISVCRNZQSIU-UHFFFAOYSA-N 473.529 5.443 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 611872040 SBGUZYZCJCBSHU-HSZRJFAPSA-N 468.944 5.619 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCC(=O)N1CCCC1)c1nc(-c2ccc(Cl)cc2)cs1 612894864 SSFYKDSNJMSJJG-LJQANCHMSA-N 482.030 5.668 30 20 JKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613346262 GJDLNHAJFGHPMU-NXOUGTEYSA-N 470.381 6.201 30 20 JKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 613401881 QDQVOLWNNROSGE-HXUWFJFHSA-N 483.478 5.783 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)cs1 613404419 MLCXOSGPNIHLJW-QGZVFWFLSA-N 489.569 6.862 30 20 JKED O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615845359 IAZPXYNJTQROCN-DRBLLZIRSA-N 456.402 5.255 30 20 JKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc2ccccc2n1 620304345 VIIVIXFWRDQUNP-KRWDZBQOSA-N 468.353 5.607 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 642452298 DZHXMQLFGXIHQP-UHFFFAOYSA-N 465.575 5.025 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S/C1=N/CCc1ccccn1 726111736 UHVHFLPDLYCUJW-BLWNTKICSA-N 497.835 5.099 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2cccc(C)c2)cn1 726117099 RLJSEUDBEPMOAP-XMMPIXPASA-N 489.645 5.031 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC2CCC2)c1 726396440 JNNHWNXSXWDMHQ-HSZRJFAPSA-N 481.618 5.081 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 726420151 HKFMIJJBDBLWIM-QDKFNBQJSA-N 498.586 5.148 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N([C@H](C)c2ccccn2)C1=O 726423406 ZDJNGSHMJBRXKJ-VIVKRULVSA-N 494.642 5.303 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cccc(Cl)c1 726571426 IIBDRMUNKOFVJX-UHFFFAOYSA-O 455.390 6.038 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2[nH]c(C)c(C(C)=O)c2CC)[n+]2ccc(CC)cc2)c1 726572842 HSSIBXGLNVSKOC-UHFFFAOYSA-O 458.607 5.243 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)Nc1ccc(OC)nc1 726962460 YGXLACQJXRBIAD-UHFFFAOYSA-O 491.637 5.060 30 20 JKED CCOc1c(OC)cc(/C=C2\CCc3nc(-c4ccc(OC)cc4)sc3C2=O)cc1OC 727780819 UGOVHKQVOIKKGO-SFQUDFHCSA-N 451.544 5.447 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCCCn3c(S)nc4ccccc4c3=O)cc2)c1 728081766 IQNIQBDCZYGGLO-UHFFFAOYSA-N 498.608 5.335 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)c1 728777714 NDBTWZAHOAQJPZ-QFIPXVFZSA-N 493.589 5.174 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1CCCCC#N 728777788 OPQSNNADMQAQTA-FQEVSTJZSA-N 488.535 5.668 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1 728777914 NDNRQRQIDMXNEU-JOCHJYFZSA-N 499.036 5.781 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F)[C@@H](C)c1ccc(C#N)cc1 729175382 UKQVWAQQFUVCDM-OALUTQOASA-N 491.588 5.061 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(F)c2)cc1OC 729244817 JRXUDNFFIXSLQG-RGPNDZKTSA-N 464.512 5.585 30 20 JKED CN(C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1)C(=O)OC(C)(C)C 729562448 WLIIGJWZPFKNRQ-GOSISDBHSA-N 450.539 5.071 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cnn2ccccc12 729661328 COGXYAGSZYWFJJ-JOCHJYFZSA-N 462.962 5.316 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(C3CCC3)C2=O)cc1 730460797 FWEXORBUKFGQKU-HXUWFJFHSA-N 455.967 5.055 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCC2)c1 730463195 TYCFZOBYOFATQN-LJQANCHMSA-N 472.397 5.488 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cocn3)C2=O)cc1 730709922 FKMWYIIOQOOWFJ-QHCPKHFHSA-N 492.601 5.241 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)cc1 730715986 NCWVVPUBBUPZGH-NRFANRHFSA-N 482.993 5.359 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3OCc3ccccc3)n2)cc1 730922870 MQOBCHXEUIZZAU-QFIPXVFZSA-N 465.534 5.516 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 730942778 XEQFSFMZQZCIHH-YCRPNKLZSA-N 499.423 6.110 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1[C@H](C)c1ccccc1 731068483 ACSNHQUSTIQPBK-WOJBJXKFSA-N 475.614 5.904 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(Cl)c2)cc1 731305006 DREZJSZTPQNGPS-QFIPXVFZSA-N 495.988 5.215 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C)cc1 731310798 QDGUUPNSHYASLE-XMMPIXPASA-N 489.597 5.008 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](c1ccccc1)C1CC1 731311567 CASSCFVGWAGQID-AHWVRZQESA-N 496.592 5.375 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@@H](C)c2cccs2)cc1 731312982 UUZITOZIJXHBBK-UDWFINDDSA-N 495.626 5.052 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c1 731313362 WWOUKGFKYADMGX-FQEVSTJZSA-N 469.563 5.062 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1Cl 731313519 YURNTYZVCXYPJT-JOCHJYFZSA-N 490.972 5.078 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCOc1cccc(Cl)c1Cl 743449928 WIOHPAVUFZUTAO-ZDUSSCGKSA-N 469.752 5.470 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cc(Br)cs2)c1 744761999 SWKHHDRFMXEHFU-UHFFFAOYSA-N 451.415 5.284 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc3cccnc23)C1=O)Nc1ccccc1F 744996546 CBFXLZGEYWPFAU-QHCPKHFHSA-N 484.556 5.534 30 20 JKED N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)Nc1ccc(SC(F)F)cc1 747111607 GGWLAYUEUVRRGG-OAHLLOKOSA-N 479.555 5.299 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cscn3)C2=O)cc1 747602530 NONBBXAXNURCET-JOCHJYFZSA-N 494.642 5.319 30 20 JKED CC[C@H](C)N/C(S)=C(C(/O)=C1/N=C(C)C(C(C)=O)=C1C)\[n+]1ccc(Cc2ccccc2)cc1 749888026 CLLZBMNTSKQFHW-KRWDZBQOSA-O 462.639 5.159 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 750706640 VPRWVCFYRDNVIP-UHFFFAOYSA-N 466.541 6.252 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)C2CCCC2)ccc1Cl 758775205 TUGMQHVBCMMPSG-UHFFFAOYSA-N 467.418 5.389 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 787093062 GTNRDZOZCSCJBX-UHFFFAOYSA-N 474.369 5.333 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(C)c1C 799214557 CKRXCJKRPPAFHJ-GOSISDBHSA-N 460.397 5.046 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2C)cc1 838031635 MENILLRJCBFVKG-XMMPIXPASA-N 489.597 5.173 30 20 JKED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1Sc1ccccc1 843760598 PHRLHQQCJMRCLI-UHFFFAOYSA-N 479.627 5.075 30 20 JKED N#Cc1ccc(OCc2cccc(-c3nc([C@H]4CCC(=O)N(CC5CCCC5)C4)no3)c2)cc1 856576075 ORQHVYXPOIWMAT-QHCPKHFHSA-N 456.546 5.083 30 20 JKED N#C[C@@H](C(=O)CSc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccccc2)cs1 914530579 JTEXBMKIHGCMQE-KRWDZBQOSA-N 451.960 6.087 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)Cc3ccco3)C2=O)c1 914690039 HPSVFYGGXDSVPO-QRQCRPRQSA-N 499.539 5.158 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1nc(-c2ccccc2)cs1 915101915 JYXLCXMZJHICIC-FQEVSTJZSA-N 494.414 5.301 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)oc12 915743308 FORNNBMXGYJBDH-FDDCHVKYSA-N 467.525 5.303 30 20 JKED Cc1ccc(NC(=S)Nc2ccccc2C#N)cc1S(=O)(=O)Nc1ccc(Cl)cc1 915994390 NIAYLRZICPUQBN-UHFFFAOYSA-N 456.980 5.130 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3Cl)N(C3CC3)C2=O)c1 916215423 VIKGPXPWINBPKH-IBGZPJMESA-N 494.400 5.133 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)cc1 916215579 XTLXLIQPUDTOGO-IBGZPJMESA-N 472.408 5.134 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccco2)C1=O 916217306 KEPKWZSZXCLCFW-XMMPIXPASA-N 485.565 5.602 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916628302 QNRXCMYARGASQQ-XLIONFOSSA-N 484.408 5.846 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl 916684320 XTTNRTFUUCMZIR-HSZRJFAPSA-N 492.982 5.417 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887375 NPBFXQYYNVZFBR-CQSZACIVSA-N 475.498 5.178 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 916906627 IHUNCARGBFZUOU-HXUWFJFHSA-N 464.953 5.185 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccc(Br)cc2)o1 916910545 HXGKZEQXLRUUDD-INIZCTEOSA-N 473.710 5.236 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1Cl 916940366 KWOFXCFAGHEFFT-HXUWFJFHSA-N 469.324 5.542 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 916951431 YEHYMIQPLWGCSZ-LRXVAGHRSA-N 497.542 5.001 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S 917485776 WXCJONAQKJNXFU-UHFFFAOYSA-N 457.603 5.179 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 917506577 BKYMVUYCNPOPDB-GOSISDBHSA-N 499.445 5.220 30 20 JKED COc1ccc(/C=C2\N=C(S[C@@H](C#N)Cc3ccccc3)N(c3cccc(OC)c3)C2=O)cc1 917846655 YVEGVEQIIGVELM-TWBKXSQYSA-N 469.566 5.316 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 918312622 RPIXGNFJMZDHRD-UIOOFZCWSA-N 453.542 5.043 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 919637747 RARUZYWIXTYFRV-RUZDIDTESA-N 458.539 5.334 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCSc1ccc(Br)cc1 920108817 KELFQJRQIKNCEK-IBGZPJMESA-N 459.409 5.404 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C4SCCCS4)cc3)n2)cc1 920139840 ZGFYAALGEUQZJF-HXUWFJFHSA-N 482.652 5.943 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)n2)cc1 920145036 ZQTQLTSTQABTHK-SHQCIBLASA-N 497.620 5.532 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc(-c2c(F)cccc2F)cs1 920804079 KPEVUHXFPOREFG-AWEZNQCLSA-N 453.445 5.691 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C(C)C)cc1 920869050 MUZRELZOQOSFOK-MBSDFSHPSA-N 483.634 5.061 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1C 920983784 NDHQCXFFYWJPKI-QHCPKHFHSA-N 495.645 5.224 30 20 JKED CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 921045416 RSXLNTDOQVJJKW-NRFANRHFSA-N 465.619 5.370 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3c(ccc(Cl)c3Cl)C2=O)cs1 921138600 SZLNCEUGRVSFNC-RVDMUPIBSA-N 473.381 6.492 30 20 JKED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3ccc(CCCC)cc3)cc1)C2 1782201224 DVBSIFMLSHFFMV-POURPWNDSA-N 474.645 5.400 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Br)c3F)CCC2)cc1 1786367443 PKKPIASCRPCUPI-UHFFFAOYSA-N 489.385 5.319 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)C(F)(F)C(F)F)cc3)CCC2)cc(C(F)(F)F)c1 1786604668 YYDXKIYURFEILL-UHFFFAOYSA-N 492.391 5.362 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CCCC3)cc2)CCC1 1787610258 NCIWSGNHGGZGQF-QFIPXVFZSA-N 469.626 5.170 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1 1788029656 WCRLLIGBCXCTLY-UHFFFAOYSA-N 473.404 5.023 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](N)c4cccc(Cl)c4)cc3)CCC2)c1Cl 1788054373 MUWLRZSUBHZVDV-HSZRJFAPSA-N 493.394 5.313 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)sc1C 1788650667 IGSPAGVLCLDRAG-ZHACJKMWSA-N 465.600 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789453957 IWWFIDKFRKCLDY-JOCHJYFZSA-N 481.637 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccn4)[nH]n3)CCC2)cc1 1789626628 ZFKIMHWZUWOBNM-UHFFFAOYSA-N 457.578 5.212 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)CCC1 1790088796 IRWBHURCCFAMEY-UHFFFAOYSA-N 475.589 5.170 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)c(C(F)(F)F)n1 1790205814 AQXQSORTGFWCCS-UHFFFAOYSA-N 488.853 5.280 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)Cn4ccc5c(F)cccc54)CCC3)cc2)ccc1F 1790521751 YKQLJHOBPILYTJ-UHFFFAOYSA-N 498.533 5.168 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)CCC1 1790611281 JDTYUFHNUVEKSV-SFHVURJKSA-N 486.012 5.676 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCCC4(F)F)CCC3)cc2)cc1 1790705267 OWMYWPIUOUHMAT-QFIPXVFZSA-N 451.517 5.326 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c[nH]nc4cc3Br)CCC2)cc1 1791248982 HYLQEESFGCNLPO-OAHLLOKOSA-N 481.394 5.285 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791251405 HQCUUYRYRZTQDD-RTWAWAEBSA-N 483.653 5.370 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccnc3S)CCC2)cc1)c1ccc(O)cc1 1791644754 PHZWKVKNGBBIRH-FQEVSTJZSA-N 485.609 5.021 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(CC(C)C)oc2ccc(OC)cc12 1796428162 NBOOWTGFODPWJH-KOUNCHBCSA-N 478.633 5.660 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(OC)cc1 1796513174 BQUXFXMMNUMHJY-KOUNCHBCSA-N 461.606 5.001 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3ccc(F)cc3)c1)C2)c1ccccc1 1798554118 YNSCKJNBUVLKAG-HVWQDESWSA-N 483.587 5.270 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)C(C)(C)C(C)(F)F)C2)CC1)c1ccccc1 1806179356 ZPOMAHVFKYZMCY-QFIPXVFZSA-N 458.593 5.096 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809211969 HPRIXPGRTMOHSS-AQOAWAETSA-N 468.022 5.482 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1810172361 ASBQQXVDHAWSPW-MZYLBHOOSA-N 471.523 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1810173163 SXVKJLNBEGWQOA-KHCICDEESA-N 495.048 5.433 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1810494892 MZFHXVTXAYQTGE-RCZVLFRGSA-N 468.041 5.366 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1 1811733762 WFBONWRTRMZGLW-BKMJKUGQSA-N 478.612 5.409 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)c1cccc2c1oc1ccccc12 1812302143 POGMWMNWNIFGEW-QABMSTFYSA-N 499.570 5.352 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1813838123 WVCWSCYJPHHQKU-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813955906 YOSBJROHKCXWSO-JWQCQUIFSA-N 475.539 5.280 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[nH]n1 1815249100 SMSFWHPWDFKUOZ-AZUAARDMSA-N 494.583 5.107 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](F)c3ccccc3)n[nH]2)cc1C#N 1815559308 WTNQHJJZXAZHJU-RCZVLFRGSA-N 489.551 5.085 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817742425 NMPOTJOJPJOGDB-XMMPIXPASA-N 469.589 5.280 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)cc3cc[nH]c23)n[nH]1 1818610559 ZMWIQVKDVRUCSX-AUUYWEPGSA-N 484.398 5.172 30 20 JKED CCCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1 1821179685 IWXSVWBEAYJPIR-DEOSSOPVSA-N 455.562 5.048 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)[nH]n2)c1 1821325904 UXDIOPYJPLVQCE-AREMUKBSSA-N 490.567 5.272 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1821987342 PKRBGTZZWQHXCI-LJQANCHMSA-N 495.555 5.690 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c1 1823217995 XXZSBEQGNAIMGE-BTYIYWSLSA-N 479.943 5.449 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 1823684444 XJVPCJSJWXIYSN-OZNIXHKMSA-N 487.619 5.053 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1823887160 AWOWXEMAYTUSQF-HSZRJFAPSA-N 472.589 5.211 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 1824142518 VQSNOBWPRPFPBS-HHHXNRCGSA-N 459.634 5.545 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2OC)CC1 1824145434 HLLGITVCVVRRKE-HSZRJFAPSA-N 459.030 5.350 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2OC)CC1 1824145436 HLLGITVCVVRRKE-QHCPKHFHSA-N 459.030 5.350 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824322303 RFPXGKUAFULWCW-VWLOTQADSA-N 494.035 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)CC1 1824424702 VLFICPMELQTXBB-ZRJLEYOISA-N 464.650 5.079 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1824501193 RFYLOFYCBMLRRZ-QHCPKHFHSA-N 493.673 5.370 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1824511597 LLKVLBRAPIJFQA-WZONZLPQSA-N 493.475 5.236 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2F)CC1 1824728512 VYXFZGVPGFEDCV-OAQYLSRUSA-N 462.707 5.172 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 1824955554 KCXVESHCIPEFQX-NZJKTDFXSA-N 456.696 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681672 PHCHBYWNESPBQR-RJRNSMGGSA-N 456.652 5.099 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnn3-c3ccccc3)CC2)c1 1827971231 USIDVUWVMVVWJC-CUNXSJBXSA-N 495.627 5.046 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1828397285 MOCWRYNQGQCIPS-SDHOMARFSA-N 473.057 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(C)cccc4[nH]3)CC2)c1 1828577640 MZGIRSODPKGYRQ-HHHXNRCGSA-N 468.601 5.204 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1 1828820681 ASLMIRVEIUYIEH-DQEYMECFSA-N 452.614 5.245 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1828886005 TYERXOWUYJEHHC-KAYWLYCHSA-N 492.635 5.299 30 20 JKED CCOc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828907079 ULAQRIWRJNQEAM-AREMUKBSSA-N 482.741 5.370 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)CC1 1829370026 PUMCZBBJOKDDAT-QFIPXVFZSA-N 476.061 5.359 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c1Cl 1829685437 GMHFNKQEBPFQQM-ISJGIBHGSA-N 494.010 5.388 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3scnc3C3CC3)CC2)c(Cl)c1 1830720123 ANMVSVGJXLAYDY-OAQYLSRUSA-N 483.037 5.093 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1831375117 MYROHHWKSKWJDW-CJFMBICVSA-N 463.597 5.333 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1831375223 QMQABKJSWYWNTI-XUZZJYLKSA-N 473.617 5.669 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)c1 1832634295 UGQZUNYLIJKQED-DFHRPNOPSA-N 495.627 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832687654 DXUPLDASLOUCKN-UZUQRXQVSA-N 499.989 5.792 30 20 JKED COc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)cc2ccccc2c1Cl 1832786484 XHIMZCMOBQCRQO-QHCPKHFHSA-N 494.035 5.429 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(CCCCC)cc3)CC2)CC1 1836664071 PTOJFRPPIAZWIA-BUHFOSPRSA-N 452.639 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1837683323 DOBMENLFYIJQEP-MLKSZZLFSA-N 480.693 5.583 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)CC1 1837724640 AUBLETXCPCKDDQ-XMMPIXPASA-N 492.582 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3ccc(Br)cc3s2)C1 1844062868 YZKXWVMKVZTACT-SFHVURJKSA-N 473.436 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(C(F)(F)F)nc3ccccc13)C2 1844356511 IDYIHFZXHCSWJP-UHFFFAOYSA-N 459.512 5.063 30 20 JKED CCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1 9139237 QHKDENPMPSPXIK-QGZVFWFLSA-N 453.999 5.436 30 20 JKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nc2cc(Cl)ccc2c1=O 9353652 MEJHMHKSXYHAFM-UHFFFAOYSA-N 455.992 5.660 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@H]1c1cccc(C#N)c1 11208670 FWGBTPXTQRFWIZ-SANMLTNESA-N 482.609 5.532 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)n2CCc2ccccc2)cc1 12746303 KZPJMKUYGICZPR-HXUWFJFHSA-N 489.645 5.020 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)n(C2CCCCC2)c1C 16581042 GXTCBWYHNSKQME-PKNBQFBNSA-N 474.355 5.032 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)nc2)ccc1Cl 17296632 SEAYITWFAMYRAO-UHFFFAOYSA-N 492.384 5.031 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)nnc1-c1cccnc1 18405578 OWYKXEXDTXWGEB-UHFFFAOYSA-N 461.566 5.107 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 20046416 SZXIQFDGWARWAN-UHFFFAOYSA-N 486.622 5.416 30 20 JKED C=CCn1c(SCc2nc3ccccc3c3ccccc23)nnc1[C@@H]1COc2ccccc2O1 20050606 QBTVQXNWJHLLEB-VWLOTQADSA-N 466.566 5.970 30 20 JKED Cc1sc2[nH]c(CS[C@@H](C)C(=O)OCc3ccc(-c4ccccc4C#N)cc3)nc(=O)c2c1C 23437002 SPSPNICEZKVXFF-KRWDZBQOSA-N 489.622 5.505 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccc(Br)cc1 24033668 USELDFSLXTWBAP-UHFFFAOYSA-O 462.392 5.941 30 20 JKED N#CCC[C@H](C#N)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1 26227199 JTCCKXJORLVFCA-CQSZACIVSA-N 459.522 5.924 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2cc(C)ccc2C)cc1 28793500 CUORPTFTGZZDTC-UHFFFAOYSA-O 492.665 5.716 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)n(C2CCCCC2)c1C 33144449 BDOXNOPCIKUQLK-NRFANRHFSA-N 495.693 5.467 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2cc(Br)cs2)no1 71996710 BEZFTXOFUKPVAV-UHFFFAOYSA-N 474.409 5.221 30 20 JKED O=C(Nc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1)c1ccc(F)cc1 107868107 YUPRHYYUYHLDBL-KBPBESRZSA-N 476.392 6.404 30 20 JKED Cc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)cc1Cl 108640910 AYELASJINLMXEI-UHFFFAOYSA-N 458.949 5.177 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3ccc(N4CCc5ccccc5C4)cc3)nc2C)n[nH]c1=S 109419817 YBKOZNAKPCTVHM-UHFFFAOYSA-N 488.642 5.374 30 20 JKED COc1cc(/C=C2/CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)O)ccc1OCC#N 206662958 GWMHGPISVAWSJQ-JCMHNJIXSA-N 491.547 5.400 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccco2)ccc1Cl 302991357 WHXLBFFJFSPKFL-QGZVFWFLSA-N 458.967 5.148 30 20 JKED N#CCCN(CC1CC1)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 303188211 JGTLBOVBBLIIGM-UHFFFAOYSA-N 466.657 5.721 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2ccccc2Sc2ccccc2)CC1 303272837 GPWSIRNCCCFAJY-UHFFFAOYSA-N 484.581 5.490 30 20 JKED COc1ccc(OCCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487352398 ISRNPEOWAJKURI-UHFFFAOYSA-N 461.465 5.041 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 499853181 UPKFHWNRUCJQII-JOCHJYFZSA-N 453.311 5.239 30 20 JKED C[C@H](SCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc2ccccc2[nH]1 501477619 WOHFOEJDVKBBRC-SFHVURJKSA-N 456.571 5.641 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)CC1 502366480 AOOSKABIHHGFAS-KRWDZBQOSA-N 482.943 5.049 30 20 JKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502585195 NCFBBHJSASZLER-UHFFFAOYSA-N 470.598 5.901 30 20 JKED CC(C)n1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 502591046 JQDBSZFUMNMDFU-UHFFFAOYSA-N 460.390 5.482 30 20 JKED O=C(NCCc1c(F)cccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503190175 BZIONORWAVCQTF-UHFFFAOYSA-N 498.761 5.209 30 20 JKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 503942412 CTFXRTJNSXOBDH-LJQANCHMSA-N 496.592 5.890 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 504133058 BPFMYOXMWDGAQL-QHCPKHFHSA-N 487.947 5.081 30 20 JKED Cc1nc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)sc1SCC#N 504763315 UWWNPAZPHBWVMK-UHFFFAOYSA-N 464.366 5.254 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 507922778 VHICIUOZGZZWFU-HHHXNRCGSA-N 475.504 5.545 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 508156898 BWWIOIVOIGYQSQ-UHFFFAOYSA-N 468.479 5.266 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1 508278541 LIAQNJAAZZFJOJ-UHFFFAOYSA-N 476.577 5.006 30 20 JKED CN(C(=O)NCCSCc1ccccc1C#N)[C@H]1CCSc2ccc(Br)cc21 509367285 RRLNNPFBMHDLQT-IBGZPJMESA-N 476.465 5.432 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)N2CCCCC2)cc1 511502814 FXLFYHKSJOMREB-MHZLTWQESA-N 497.599 5.168 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C 511793576 QCZCHXRBWAGGAF-MHZLTWQESA-N 467.569 5.597 30 20 JKED CCCCCn1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c2ccccc2c1=O 512493785 KWHHBZATOSSNBE-NRFANRHFSA-N 472.570 5.209 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Cl 513950238 NQIKFLBTSBUMJF-UHFFFAOYSA-N 492.982 6.067 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 514425409 WFRIBXPWZQHZIK-UHFFFAOYSA-N 468.563 6.645 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1Cl 518099834 IMOBYSIQJFFUTN-DEOSSOPVSA-N 479.024 5.642 30 20 JKED N#CCCSc1ccccc1NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 518123734 RADUFQISVLTLSZ-UHFFFAOYSA-N 481.419 5.772 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C 518897199 ICTYAJIGEZEBGH-UHFFFAOYSA-N 499.596 5.134 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccccc1 519415757 VSUXMTRBUKVMCF-ROUUACIJSA-N 465.648 5.899 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCO[C@H](c2cccc(F)c2)C1 524053448 GZPWGPORYILXDQ-SFHVURJKSA-N 487.375 5.263 30 20 JKED Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1CCc1cccs1 524089576 RMXOBNDSOLRIJY-CQSZACIVSA-N 471.677 5.212 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)cc2Cl)c1 524119893 OLNZXPVNYKAYHB-JOCHJYFZSA-N 460.965 5.036 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 524235107 KVFDDBFXEVUIOY-UHFFFAOYSA-N 465.897 5.190 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 524586648 SLRQEYAJAFCSON-UHFFFAOYSA-N 452.908 5.435 30 20 JKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 559773749 WPFORCMEVIIDJA-LJQANCHMSA-N 455.320 5.505 30 20 JKED CCOC(=O)c1sc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C 590613374 RRPXPZMCRWMIKX-UHFFFAOYSA-N 478.357 5.638 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 593021594 JIMZYPVBQYWSLP-MMMWYMCRSA-N 481.383 6.111 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4cccc(OCc5cccc(C#N)c5)c4)nc(O)c23)C1 603640002 ICPUCQSYVLYBEF-QGZVFWFLSA-N 498.608 5.544 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(OCc2cccnc2)cc1 603691662 LHJPDPAHSHVGNC-LJQANCHMSA-N 465.513 5.602 30 20 JKED C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1 603961067 LONROOJKNYGHEO-IBGZPJMESA-N 470.548 5.430 30 20 JKED CN(Cc1ccc(Br)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604156711 NYOOJVDJAUKYKR-NRFANRHFSA-N 496.792 5.355 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 608915206 JAHUFJDUOXORQQ-UHFFFAOYSA-N 498.480 6.411 30 20 JKED N#Cc1ccc(N2CCC(NCc3cccc(Oc4cccc(C(F)(F)F)c4)c3)CC2)nc1 608983147 KZAGNGATOXQJRW-UHFFFAOYSA-N 452.480 5.523 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(I)cc1Cl 609057336 IEMBYVKBIZIYEC-UHFFFAOYSA-N 489.700 5.564 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 609079240 QLYCOYSXLCLTPK-DEOSSOPVSA-N 464.569 6.339 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3ccc(Cl)cc3)CC2)c1 609186097 WYQNMJCIRKZSQS-NYMACZPPSA-N 492.019 5.055 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 609376698 IDJGDZYNTXDTCM-GOSISDBHSA-N 463.628 6.214 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 609427877 ZNBYSAAFDOZVJT-GOSISDBHSA-N 465.600 5.158 30 20 JKED CC(C)NC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613344776 QGLNUTUIJOEMFN-KRWDZBQOSA-N 473.385 6.137 30 20 JKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618607786 BTDCGYNQOGDGPM-BETUJISGSA-N 478.364 5.146 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 641849190 NNGLUXMOMVKILG-UHFFFAOYSA-N 451.729 5.955 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc12 642157885 OOERFVJQGBKPNL-VXGBXAGGSA-N 493.448 6.174 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)NC(=O)CS2)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281539 IHVSJEXFNCZLIA-CYBMUJFWSA-N 460.367 5.651 30 20 JKED N#C[C@H](C(=O)c1cncc(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281749 PKQLHMLZSGZZFP-CYBMUJFWSA-N 453.148 5.764 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccc(OC)cc1 643093995 NCLCRSZKVPRGAT-HNNXBMFYSA-N 451.527 5.491 30 20 JKED C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1F 644448833 RHBNYZGUHVUHPX-UHFFFAOYSA-N 451.354 5.698 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 650198444 OOPSZFSYWHHUAT-OAHLLOKOSA-N 471.623 5.109 30 20 JKED CC(=O)Nc1ccc(-c2csc(=Nc3ccc(C#N)c(Cl)c3)n2Cc2ccnc(C)n2)cc1 726391466 OTXYYJSXCBJLBY-UHFFFAOYSA-N 474.977 5.079 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 726393176 MZCSGGVYUISZSY-WZONZLPQSA-N 461.587 5.225 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)cc1Cl 726571313 SBAWJRLGRWXHKF-UHFFFAOYSA-O 482.963 5.979 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2ccc(C(CC)CC)cc2)c1 726573470 FQQWJMISBVDWHB-UHFFFAOYSA-O 468.067 6.897 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)N[C@@H](C)c1cccs1 726576306 BEFQZVUNPACSCK-SFHVURJKSA-O 494.706 5.957 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 728424786 IBAMPYYJAKGWAX-HOYKHHGWSA-N 483.597 5.237 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCCCC#N)C1=O 728776505 CIAUPGMERMFZFU-HXUWFJFHSA-N 470.982 5.003 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCCCC#N)c1cccs1 728776873 CLBYJROJVCPCNZ-SMTGWPMVSA-N 476.574 5.110 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1 728780560 UHEYVQXYAVTBIN-FQEVSTJZSA-N 474.508 5.067 30 20 JKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc1 728982156 UDIPOTSKHYENFL-UQNFDQQLSA-N 483.568 5.038 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@@H](c2ccccc2)C2CCC2)C1=O 729141900 DODJAMDMENGKFF-FPOVZHCZSA-N 475.536 5.314 30 20 JKED Cc1ccc2c(Cl)c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)sc2c1 729188500 OHJKPLCOLYJRAE-GOSISDBHSA-N 460.942 6.617 30 20 JKED Cc1ccsc1C(=O)Nc1ccc(OC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 729375031 MSRDAZZEWQSIDR-UHFFFAOYSA-N 451.573 5.198 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 729573693 GMIIBKWPYMIQBD-UHFFFAOYSA-N 474.536 6.279 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730717172 GKVXGEXTLVHQNY-JOCHJYFZSA-N 490.972 5.642 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)cc1 730728895 GYBYBXUQTSPMIC-OAQYLSRUSA-N 498.992 5.276 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1[C@@H](C)c1cccnc1 730942483 QERAWOGDBADHRU-MBSDFSHPSA-N 493.032 6.073 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(Br)ccc2[nH]1 731062748 GJKMIHMWGSSPNA-CYBMUJFWSA-N 472.364 5.120 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c1 731306557 ARGBAUNYXHVWLQ-HXOBKFHXSA-N 474.586 5.071 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1 731307249 GOKYXFAHKXMXFC-HSZRJFAPSA-N 481.618 5.010 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2Cl)cc1 731307892 VZLCCHKEASNEIL-JOCHJYFZSA-N 490.972 5.078 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccc3ccccc3n2)C1=O)Nc1ccccc1F 743511790 IKJVBDPXQMCVII-VWLOTQADSA-N 498.583 5.577 30 20 JKED CCCCn1nc(C)c(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)c1Cl 744765480 CVCISMNMJRTHJB-UHFFFAOYSA-N 461.035 5.418 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1F 745583509 HVEYSOSHJADOHI-JOCHJYFZSA-N 494.498 5.136 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCOC(C)(C)C)c1 746695447 GJGIMVOHQWCGML-FQEVSTJZSA-N 475.561 5.049 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2cc3ccccc3[nH]2)C1=O 746696774 UKOUYESBJHMELJ-RUZDIDTESA-N 498.608 5.645 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1cccc2ccccc12 747111521 ACVVWTBKCILILI-LJQANCHMSA-N 480.376 6.160 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cscn2)c(Cl)c1 747602160 JJYMSHMBYLXKNE-LJQANCHMSA-N 485.034 5.574 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)nnc1-c1ccccc1 750391328 GAVPKWDZZOSYHL-WBVHZDCISA-N 467.982 5.009 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccccc1-c1ccccc1 750909690 HKCBLPQDKPCWQF-DEOSSOPVSA-N 489.597 5.351 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CC(F)(F)F)C2=O)cc1 799218533 HJVWOHTVFPSMCZ-KRWDZBQOSA-N 483.899 5.065 30 20 JKED CC(=NOCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 836977825 PISVETGUQVITTR-UHFFFAOYSA-N 464.472 5.390 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 837743546 CSVJZHGQHSCYBI-ZHRRBRCNSA-N 483.540 5.539 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O)Nc1ccc(F)c(Cl)c1 837768809 VYEUEODEQCTGQK-HXUWFJFHSA-N 486.931 5.174 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3cccnc3)C2=O)c1 837778472 CAIWASCLEIHFAX-WZONZLPQSA-N 476.577 5.559 30 20 JKED C=C(C)[C@@H](Cc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1)OCC 904668503 KXENWIBCXIRFFL-QGZVFWFLSA-N 453.848 6.120 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 914556236 YIAIPRSRTFDTHR-LJQANCHMSA-N 489.544 5.634 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H](C)Cc3ccco3)C2=O)c1 914690957 JUKXUJSQDHVNGZ-ZHRRBRCNSA-N 481.549 5.019 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915101824 LWTQUJWFRFHKED-SFHVURJKSA-N 462.962 5.698 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC2CCC2)c1 915111904 RYDSXGHKBOBXJB-HSZRJFAPSA-N 478.618 5.022 30 20 JKED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(-c2ccccc2Cl)s1 915114022 ZQJNMKBYJFMZBG-AFNCTOJWSA-N 481.426 5.483 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)cc1 915199764 LEWZTDCUVFLUSI-DEOSSOPVSA-N 492.560 5.234 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCC(C)C 915785644 RWQQQQUPKCNUPX-NLFFAJNJSA-N 485.584 5.201 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc(SC(F)F)cc3)c2)cc1 916026347 ZCODSYQGNBAZGK-UHFFFAOYSA-N 455.555 6.455 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)c(C)c1 916208017 RDQVYQFWRCRWIW-VWLOTQADSA-N 486.641 5.518 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1Br 916209669 QANFJXLDLJJHES-IBGZPJMESA-N 490.398 5.491 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccccn2)C1=O)Nc1ccc2ccccc2c1 916210293 ZUMCVDWYBAUTLQ-RUZDIDTESA-N 498.583 5.577 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccc(F)cc2)cc1 916211611 QFOQSUSGNWRFGE-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C[C@@H]2CCCO2)cc1 916212653 OYIPHRGUNAWICF-URXFXBBRSA-N 473.598 5.288 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 916213666 FELYLMFCVNSZNB-HSZRJFAPSA-N 491.569 5.041 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccnc3cc(Cl)ccc23)cs1 916269554 XIHBKDJSMRSFFB-UHFFFAOYSA-N 489.910 6.494 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)[C@H](C)Oc1ccccc1C#N 916878876 ZCPFGYZQQWZNPC-IBGZPJMESA-N 480.520 5.654 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1 916883008 FDJOCHNHAVKSDE-CQSZACIVSA-N 463.556 5.385 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccccc2Cl)o1 916903533 TUQHTHFMYKNVGR-OAHLLOKOSA-N 472.328 5.246 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 916907833 NNIYLNCODYGHSZ-ZISLFAKRSA-N 463.002 6.554 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 916909583 PRVCWKCUSAVTHB-FQEVSTJZSA-N 498.489 5.393 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 916910672 YFNQAJRJSGKDMM-VWLOTQADSA-N 481.571 6.379 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1 916914470 LSKFVOZDJOUALK-LPHOPBHVSA-N 496.658 5.326 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1cccc(C(F)(F)F)c1 916932435 VKZJTQXGCYQHHT-OAHLLOKOSA-N 481.261 5.468 30 20 JKED CCCn1c(=O)n(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21 917042306 DXZSQOXXAKILKB-HNNXBMFYSA-N 472.492 5.108 30 20 JKED N#C[C@@H](C(=O)COc1cccc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 917045227 WWHVTWNZJJICTH-ZDUSSCGKSA-N 455.255 5.333 30 20 JKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1 917096180 ZYBLGXPYBONJLH-UHFFFAOYSA-N 455.514 5.232 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c1C 917670514 ZDPMTXXSAXXJJC-JXALWOEJSA-N 494.636 5.030 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccco2)C1=O 917704651 WIRXSAPVNLSTNR-OAQYLSRUSA-N 478.961 5.274 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 918248356 ZQCOWICRRBBBIO-AOMKIAJQSA-N 451.448 5.177 30 20 JKED Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1NC(=O)c1ccoc1C 919638538 MAHSTAMQJKWBQJ-UHFFFAOYSA-N 491.569 5.146 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 919825915 ZQPIYOWSCMWNSI-GDNBJRDFSA-N 451.526 5.241 30 20 JKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1cccc(NC(=O)c3ccc(Cl)cc3Cl)c1)CC2 920066183 UXMNBCIHANGTNK-NTEUORMPSA-N 470.308 6.058 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)n2)cc1 920141953 JEUZCEZTIYOQML-LEWJYISDSA-N 482.005 5.493 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCSCc2cccc3ccccc23)cc1 920197398 MDXMCSPALAHBAR-MHZLTWQESA-N 479.605 5.483 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)SC2=Nc2ccccc2C)no1 920353929 WUYUIFOFAYKDMP-FQEVSTJZSA-N 486.956 5.244 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)c(F)c2)cc1 920355146 IDJHMMSUDYWWNC-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN(Cc2ccccc2)c2ccccc2)cs1 920357818 WHMRUHKLUQSHOJ-UHFFFAOYSA-N 494.542 6.887 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4OCc4ccc(OC)cc4)CCC3)cc2)C1 1785808492 GHZAIGDMGDDINO-UHFFFAOYSA-N 497.595 5.383 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3Cl)CCC2)cc1 1786368168 DIKPPUXAKXFVEB-UHFFFAOYSA-N 456.970 5.079 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc([N+](=O)[O-])c4)cc3)CCC2)cc1 1786602840 VSPXIZWNLRTKKL-UHFFFAOYSA-N 482.540 5.041 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(F)F)cc3F)CCC2)cc1 1786679549 SMBVYGFXCZCQDA-UHFFFAOYSA-N 464.509 5.094 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)cc2)CCC1 1786782614 PWMWATDSLIWFEV-HXUWFJFHSA-N 493.673 5.223 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(OC)cc3F)cc2)CCC1 1789189711 QCVUBIXGIPFSOV-UHFFFAOYSA-N 450.554 5.095 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c(F)cccc45)cc3)CCC2)c1 1789337806 CTIJETCNAOLBTQ-QGZVFWFLSA-N 481.531 5.391 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789954651 XFGLHCDTTSAWOF-FQEVSTJZSA-N 455.558 5.087 30 20 JKED Cc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)c[nH]5)cc4)CCC3)c[nH]2)cc1 1790143807 MLIFYFSKBWYILY-UHFFFAOYSA-N 463.541 5.251 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c(C#N)c1 1790474467 HDQOZQHIRIOQAA-UHFFFAOYSA-N 498.970 5.082 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3Br)CCC2)cc1 1790569540 CPKTYPXUAPMNDQ-MOVXZBDNSA-N 498.421 5.397 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)c(C(F)(F)F)o1 1790762753 WKUUTVNMFBLINB-UHFFFAOYSA-N 486.425 5.074 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)CCc5cccc(C#N)c5)CCC4)cc3)c12 1790918370 NAPSVUCVPVVDTD-UHFFFAOYSA-N 492.579 5.429 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C(=C)C(F)(F)F)cc2)CCC1)NC(=O)OC(C)(C)C 1791305931 ZWYKGGPMBLHBGW-LJQANCHMSA-N 495.542 5.099 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cc2)CCC1)C(F)(F)F 1791497852 AQPRHMHRIYTRNY-LJQANCHMSA-N 497.558 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC(=C)CN3C(=O)OC(C)(C)C)cc2)CCC1 1791681361 LHEXYSPHGCSWTB-ZEQRLZLVSA-N 493.648 5.455 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)ccnc4Cl)CCC3)cc2)c1 1792123378 XKXYXGGZTVQETD-INIZCTEOSA-N 476.939 5.563 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCn4cccc4)CCC3)cc2)cc1C#N 1792168914 NJNWZWLHJCDOFZ-UHFFFAOYSA-N 484.600 5.375 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(OC(F)(F)F)cc1)C2 1798331689 XJYAQYCVHMUYCX-GKRLLLFMSA-N 462.512 5.005 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C2)c1ccccc1 1798555083 OINHPKQWYHSOLJ-ZFFYZDHPSA-N 482.546 5.083 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cccc2cccnc12 1800503803 DSOLPKFKHPJPNL-OUOZDZGXSA-N 485.587 5.200 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C)c4ccccc34)[C@@H]2c2cccnc2)C1 1802417963 HDDUTYUMJAWISH-FUFSCUOVSA-N 467.613 5.148 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)c(F)c2)C3)c1 1803680519 GBOXGQGCTSCMPA-XSGUUIGASA-N 481.571 5.685 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803988401 FMLPFWLZNYPLLR-JNCLAJFSSA-N 477.571 5.225 30 20 JKED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4cccc(Br)c4)cc2)C3)CCC1 1804115465 SUUKKNPOHWSDIK-NUNAXRQHSA-N 492.417 5.062 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3cc(Cl)ccc3F)C2)CC1 1805138212 HEHKYUXMFCZKKE-UHFFFAOYSA-N 477.096 5.375 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccccc4C(F)(F)F)CC3)C2)c1 1805328953 FTHYKUYVMGEFFV-UHFFFAOYSA-N 483.534 5.055 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC#N)cc3)CC2)C1)c1ccccc1 1805623636 SDIHRQMCPQXVNP-AREMUKBSSA-N 457.618 5.037 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CC2)C1 1806678918 RQQXJRMHXJAOHW-UHFFFAOYSA-N 489.685 5.578 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)C2)CC1 1807637490 GTYFAENIVSHRJR-GOSISDBHSA-N 488.554 5.153 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1810448761 XVYKJNHWSSQKQB-FQYQUSJJSA-N 479.624 5.088 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cn(-c4ccccc4)c4ncccc34)C2)CC1 1810451154 GLQHSHPKHWRBKY-UHFFFAOYSA-N 482.628 5.064 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1810500490 QZUWPBOZLKOPLT-URXFXBBRSA-N 476.646 5.312 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cccc5c4OC(C)(C)C5)C3)CC2)c1 1810728024 KNKLAZURTSEICS-OAQYLSRUSA-N 485.628 5.186 30 20 JKED Cc1cc(C)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1811881880 SEFMOAODZCQYRG-RPLLCQBOSA-N 475.709 5.069 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)c1 1813956051 NZDSUFGNWNIPLY-WDYNHAJCSA-N 486.575 5.254 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)c(F)c2)n[nH]1 1814674906 IXHDKHGZQKGFMQ-DYESRHJHSA-N 458.965 5.205 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1814742417 DCBLUELLFHSMJU-JOCHJYFZSA-N 472.932 5.167 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)[nH]n1 1814830186 RREIASZHGDNIAD-HXUWFJFHSA-N 456.974 5.146 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@H](C)CC)[nH]n1 1815653873 KCROIRVAGRQWMV-UTSGNWPNSA-N 454.640 5.151 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817740054 KDJSXDGWDKLDCD-JOCHJYFZSA-N 479.531 5.297 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc3c2CCCO3)n[nH]1 1817797808 JGKJKROXXSBCBY-LJQANCHMSA-N 456.612 5.095 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)[nH]n1 1819302561 IFZZERYRNZAYDI-PXNSSMCTSA-N 474.577 5.241 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)[nH]n1 1819307726 YHUJVRWVMGGWKK-CYFREDJKSA-N 473.577 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cccc(O)c3cc1OC)CC2 1819604549 MQWDWSIEEFUIDR-MSOLQXFVSA-N 491.613 5.005 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)[nH]3)n[nH]2)c1 1819636453 ADONNKDAMLZLHB-KUHUBIRLSA-N 484.482 5.003 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820087768 GEFGBMNYXQGREW-CYFREDJKSA-N 491.617 5.207 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821048436 DDKZKTBQXMXNTF-JOCHJYFZSA-N 480.515 5.719 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)[nH]n2)cc1 1821183382 YHNQCCPSQNATLF-NRFANRHFSA-N 499.468 5.253 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)[nH]n2)c(Cl)c1 1821278216 PNCRTRQQHUNXRC-GCJKJVERSA-N 493.917 5.158 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)[nH]n1 1821920964 AVNCUWSVITYMKQ-ZUOKHONESA-N 487.938 5.408 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1822579544 FVOKJCZYNBWRJN-FQEVSTJZSA-N 477.531 5.310 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c(Cl)c1 1823210615 KULYCLJEIBYJFO-FQEVSTJZSA-N 486.334 5.347 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)[nH]n2)c1 1823215017 LNLRLADYQNQBMQ-FYSMJZIKSA-N 484.535 5.277 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)[nH]n2)c1 1823215020 LNLRLADYQNQBMQ-VOIUYBSRSA-N 484.535 5.277 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823307521 VDPBFKSAIQLCRQ-QGZVFWFLSA-N 486.947 5.307 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1823685303 SERDJQPPYKCTMT-NDEPHWFRSA-N 487.644 5.213 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823685704 DJKLUOHKRMMQPN-XMMPIXPASA-N 494.035 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1823929012 DFVVFWJQLMVXQN-JOCHJYFZSA-N 489.056 5.359 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc4ccccc4n3C)CC2)c1 1824042731 VGRXXHPHOBRDET-MNNSJKJDSA-N 496.655 5.281 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 1824052680 SDXHDUITQZAYRF-VWLOTQADSA-N 469.585 5.171 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056456 CFVFPHWEHRSSIN-HSZRJFAPSA-N 496.076 5.132 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1824511594 LLKVLBRAPIJFQA-FDDCHVKYSA-N 493.475 5.236 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1)NC(=O)OC(C)(C)C 1826283964 IBXAKHXXVZTVDX-RPWUZVMVSA-N 489.701 5.046 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1827846630 FUFZIBSAANBBNF-CYFREDJKSA-N 476.621 5.110 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)cc1 1828009977 RWRWAKAUKLOOGZ-MUUNZHRXSA-N 465.597 5.453 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnnc3ccccc23)CC1)c1ccccc1 1828114033 VJZNOSVZVRMKLL-IRPSRAIASA-N 494.639 5.060 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)c1 1828606294 IOMNSKOVBUZYEW-HSZRJFAPSA-N 493.579 5.598 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)cc1 1828677722 YXOFWBKDYSVAJO-RUZDIDTESA-N 486.641 5.034 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1828779477 ZTHUQXMDXGDDOA-AUSIDOKSSA-N 481.687 5.228 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)C)nn2CC)CC1 1828826906 FDSSIZHTUDUVOX-VWNXMTODSA-N 454.659 5.028 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)CC1 1828829796 NXWWPJBMYDEQFN-DQXSBBCTSA-N 460.662 5.496 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879314 HXABUEFOZLIDLM-HIPUGCMCSA-N 471.667 5.021 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cnc2Cl)CC1)c1ccccc1 1829031626 CKRFJCQOVRIYER-NOZRDPDXSA-N 496.026 5.305 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 1829066309 AYLVYXYZZJCPMF-SANMLTNESA-N 461.650 5.769 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)CC1 1829198809 SKPFAGNNAWXTIH-QFIPXVFZSA-N 492.111 5.159 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829610488 VXPMWTZUYJIBGD-LADGPHEKSA-N 487.648 5.008 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829699325 ZLCAPWPJBVLQIR-UNMCSNQZSA-N 463.043 5.274 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)CCC1 1829703706 KFRZAIACCSARFY-OAQYLSRUSA-N 453.970 5.013 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1830415438 WZVFTEVNFUHFOP-HIPUGCMCSA-N 471.667 5.021 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1830477098 YXLGYXXVBOGUDB-HSZRJFAPSA-N 471.935 5.037 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1830632205 DPIXOPKCJJVRSO-GDLZYMKVSA-N 492.623 5.362 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nn(C)cc3c2)CC1)c1ccccc1 1830856569 KGZJYEMYZLGRDI-XRKRLSELSA-N 496.655 5.004 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1831374405 PRFVAPWCRYTHRZ-VGOFRKELSA-N 466.544 5.160 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1831444930 RUXXOTKFTNMQJW-DEOSSOPVSA-N 481.587 5.502 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Cc2cccc(Br)c2)CC1 1831715330 DVRFSDZCYZVXOQ-HYBUGGRVSA-N 487.482 5.051 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1831840823 QWZZGFRYPJJHPL-KSFYIVLOSA-N 489.479 5.154 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCCC2)CC1)c1ccc(O)cc1 1831920401 DQUASKQFTXIKJS-BDYUSTAISA-N 464.650 5.089 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c(F)c1F 1832613221 XATDHMFVOQXASP-SQUSKLHYSA-N 486.584 5.007 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)Cc1cc(Cl)cc(C(F)(F)F)c1)C2 1844357793 WTLUYBMXYVWNDM-UHFFFAOYSA-N 456.936 5.097 30 20 JKED C=CCc1ccc(OCC(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c(OC)c1 9531612 CWCSZTGVWRHWDU-UHFFFAOYSA-N 493.170 5.598 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10172466 DZZCQZVAEHWHKJ-UHFFFAOYSA-O 483.613 6.388 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Cc1nc2ccccc2s1 10609424 NQWLHXVFFFSZJB-UHFFFAOYSA-N 461.930 5.208 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1F)[n+]1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1 11169574 RBWFVSMXMPEWOP-UHFFFAOYSA-O 475.996 6.408 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccc(C)cc2)nnc1-c1cccnc1 11188109 YQWLJQVNNIKGMS-UHFFFAOYSA-N 457.559 5.358 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 15274959 LHMJCGHNHNEPJH-UHFFFAOYSA-N 487.397 5.300 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1 16020770 FOVWCSUVVDCILN-UHFFFAOYSA-N 498.910 5.263 30 20 JKED C=C(C)CNC(=S)Nc1ccc(Cc2ccc(NC(=S)NCC(=C)C)c(Cl)c2)cc1Cl 16187810 NBIZTNYXXFWJFO-UHFFFAOYSA-N 493.529 6.309 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)ccc1OCC(=O)Nc1ccccc1 18912436 WUIQBWBBPWMSKB-MHWRWJLKSA-N 484.552 5.126 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)n(Cc2ccco2)c1C 20050212 DCYSTDOZAFFJHG-UHFFFAOYSA-N 468.888 5.416 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22693817 BXVXTXJIHJTZHJ-UHFFFAOYSA-O 465.642 6.541 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1cccc(Br)c1 22735144 ZCNNSCBLIJZORE-UHFFFAOYSA-O 494.478 5.387 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccc(OC)cc1 23998156 XJEQEZFKYDRUOK-LJQANCHMSA-N 450.608 5.058 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCO[C@H](c2ccc(F)cc2)C1 29117416 CHEJVAUPRWTQKX-SFHVURJKSA-N 487.375 5.263 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)N1CCSc2ccccc21)C(C)C 32785388 XTXSXMZQCWQGED-HSZRJFAPSA-N 464.660 5.311 30 20 JKED N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 72033918 JWFYQAGVRDQTFF-UHFFFAOYSA-N 468.567 5.146 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc1OC 105675616 VDURMSNSNADWMX-UKTHLTGXSA-N 462.525 5.036 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc(OCC)c1OCC 106116486 IDZLRJSVNDBEIM-UHFFFAOYSA-N 461.518 5.502 30 20 JKED CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2cccc(NC(=O)c3ccccc3Cl)c2)C1=O 205814241 UOMQBLCHEIQNFX-CJLVFECKSA-N 488.927 5.419 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2)cc1 254510063 UXPZXIAEXATNPP-QHCPKHFHSA-N 477.561 5.385 30 20 JKED C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 255935927 BRDHBOICLZWHAW-GOSISDBHSA-N 489.004 5.410 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccco3)Cc3cccs3)cc2F)c1 481681470 CTODJWFMOFXWNT-UHFFFAOYSA-N 461.518 6.165 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)cc1 498303963 BXODVPCUUYDVHA-UHFFFAOYSA-N 496.013 6.006 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1 498312313 TXUBLKAPIOWZGU-UHFFFAOYSA-N 477.567 5.418 30 20 JKED O=C(Nc1cc(C(F)(F)F)cnc1O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 499550345 UXMGLZRJHGLOAG-UHFFFAOYSA-N 484.278 5.282 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 500028998 LQXQKJFCTZIVPK-UHFFFAOYSA-N 494.407 5.499 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)nc(O)c2c1C 507933472 BTVDHOICZSGBIK-MRXNPFEDSA-N 490.610 5.938 30 20 JKED Cc1nc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)sc1SCC#N 508981557 PEPFKMQUTSBUDW-BVSLBCMMSA-N 490.654 5.632 30 20 JKED Cc1ccc(OC2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1C 511339418 JDNORLDLUCQEDX-UHFFFAOYSA-N 469.585 6.024 30 20 JKED CC(=O)Nc1ccc(Cl)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513870952 IPIPXYHRJYAHBQ-UHFFFAOYSA-N 450.901 5.543 30 20 JKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516019605 SOSJHBOFTCZOBA-HRAATJIYSA-N 466.368 5.807 30 20 JKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)oc2ccccc12 517823155 YZIWPAJTOHIPDD-VGOFRKELSA-N 471.944 5.866 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)C[C@@H](C)O1 518148018 MSKCQQBQYFYJTB-CALCHBBNSA-N 477.552 5.573 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@]34CCC(=O)N3c3cc(Cl)ccc3S4)c2)c1 521249285 RZOMZMICSQUTOU-VWLOTQADSA-N 488.956 5.031 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)cc2)c1 521805131 WANISYZCVALHBL-NRFANRHFSA-N 453.420 5.099 30 20 JKED COc1ccccc1N1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 523191765 SATCYKDJIRWQFB-UHFFFAOYSA-N 472.564 5.087 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)cc2Cl)c1 524437614 UDKGKRNNUPYHEM-JOCHJYFZSA-N 465.937 5.597 30 20 JKED O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590844661 UXJDYJURLKQPBJ-KBPBESRZSA-N 493.427 5.405 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nnc1-c1cccc(C)c1 603623264 FXWVNXIVDQGCGK-UHFFFAOYSA-N 470.558 5.063 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cs2)cc1OC 603624257 XXKITWCAXZMCIY-UHFFFAOYSA-N 458.499 5.139 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1Cl 603766197 NBCANXUBHKZZJN-KBMIEXCESA-N 459.958 5.563 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2)cc1 603953328 KBHJPVMCPZTYHD-NRFANRHFSA-N 480.351 5.382 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCCc3nccn3Cc3ccccc3)cc2Cl)cc1 604089745 ITQTYGVSPVQVFN-UHFFFAOYSA-N 471.948 5.613 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 604449891 VEZROGSCXCKAQK-UHFFFAOYSA-N 467.510 5.086 30 20 JKED COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1OCc1ccc2ccccc2n1 609066646 RZSGXNJFVIOPOE-SFHVURJKSA-N 453.498 5.100 30 20 JKED CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079571 GLXUWBPNZOJGQM-UHFFFAOYSA-N 474.742 5.810 30 20 JKED CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 609164633 SWZUZJBDTDVXGR-QFIPXVFZSA-N 467.978 5.399 30 20 JKED CN(C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2)c1ccc(C#N)cc1F 609217877 WCLATMFDDIWGFW-XDHOZWIPSA-N 477.495 5.738 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(NCc2ccccc2)s1 609371111 ZTGCIOTXMUXDIF-HNNXBMFYSA-N 455.634 5.275 30 20 JKED CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377874 IRGSDOWBLAZVJG-SFHVURJKSA-N 499.592 5.386 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 609381743 UJJYFVLOXUNWTB-UHFFFAOYSA-N 497.489 5.480 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cccs2)cc1 609400265 UZPMACCOYRHFQV-UUOWRZLLSA-N 477.655 5.797 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 609403303 LNLFWBNPXFHBDK-CVEARBPZSA-N 464.616 5.186 30 20 JKED CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1[N+](=O)[O-] 609434446 KTTHHRAJICMEOW-QHCPKHFHSA-N 488.500 5.463 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 609438963 PJJKZBDFFXZLAY-QGZVFWFLSA-N 452.555 5.971 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1Sc1ccccc1 609439353 BEHGWXMPYPFZCN-SFHVURJKSA-N 461.612 5.487 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nc2cc(C(F)(F)F)ccc2s1 613404474 NYIPPFXYTYLUQY-MRXNPFEDSA-N 470.451 5.619 30 20 JKED COCCOCc1cc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F 622485782 YBKSTQYHYFDHDK-QGZVFWFLSA-N 453.354 5.041 30 20 JKED O=C(Cc1csc(NC(=O)c2ccccc2F)n1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642545727 GWXCLBJTLRWAJQ-GDNZZTSVSA-N 497.436 5.103 30 20 JKED C=CCn1c(Sc2nc(CN3CCCC3)nc3sc(C)c(C)c23)nnc1-c1ccccc1 669657232 ZCFKLSITNYLUOI-UHFFFAOYSA-N 462.648 5.500 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N/CCc3ccccn3)N(CCCC(C)C)C2=O)c1 726107454 DJDZJTKRFTXWSD-ZKZPFDSASA-N 466.651 5.006 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 726307846 KQHLUUUMVRWVIV-LYZGTLIUSA-N 475.548 5.950 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 726399191 MVXQCZWQDHEEGK-VBKZILBWSA-N 477.989 5.173 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2C2CCCC2)c1 726409356 AGEBUBOVDZFUTR-NRFANRHFSA-N 496.976 5.132 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)c1 726419109 CLSBSPTUFSPCQJ-QEZUWTJJSA-N 492.670 5.911 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccsc1)c1cccs1 726420985 NIQFHKLMUNCAEW-ZPGIOUQYSA-N 473.620 5.539 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N([C@H](C)c2ccccn2)C1=O 726423401 ZDJNGSHMJBRXKJ-RIRGSEAUSA-N 494.642 5.303 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc3ccc(Br)cc3s2)c1 726497428 VPXJRMXTDATZST-UHFFFAOYSA-N 454.305 5.355 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)cc2C)cn1 726890940 YRRNFUNHHVJCFS-JOCHJYFZSA-N 492.576 5.007 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 726942147 RSSCHYPZLRMARR-UHFFFAOYSA-N 453.951 5.010 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c1 727607775 RHSSEIABNMTCSL-AREMUKBSSA-N 496.611 5.076 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 728062841 WCPJSEBGZUWMKQ-HNNXBMFYSA-N 473.882 6.249 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(CCCCC#N)C1=O 728778499 SDBQOCAJRRCKCZ-JOCHJYFZSA-N 499.036 5.620 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 728780413 SKTLOPSRNWTLCE-XMMPIXPASA-N 481.581 5.366 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c1OC 729428164 AQLUAXGRNMEPDE-ZDUSSCGKSA-N 454.857 5.585 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)CNc3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 729675589 MGMADBOMNSGWQV-WOJBJXKFSA-N 456.546 5.015 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2c(C)noc2C)cc1 730444614 OCRQKFMLFSWDIR-QFIPXVFZSA-N 497.020 5.456 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 730564957 IZJGKRDDHKNADA-UHFFFAOYSA-N 483.937 5.466 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)cc1 730687230 MKVVTBJPTFANDY-DYESRHJHSA-N 458.537 5.283 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1 730716393 WPBHZIJPMYKXKF-XMMPIXPASA-N 484.581 5.605 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cocn2)c(Cl)c1 730721014 PXGWSMUVISESDY-LJQANCHMSA-N 468.966 5.105 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(Cc3cocn3)C2=O)c1 730721286 RQLPEDAECIXXFF-HXUWFJFHSA-N 498.992 5.114 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cocn3)C2=O)cc1 730728221 ZOGWLWSWMUNNFI-HSZRJFAPSA-N 490.585 5.161 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943534 FJRILHWAMVOKGD-UUOWRZLLSA-N 488.613 5.374 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2)cc1 731306835 DJKHJYVSHVRCQO-XMMPIXPASA-N 489.597 5.008 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 731312762 OTPYLAOIDWKYMN-UUOWRZLLSA-N 488.613 5.632 30 20 JKED C=CCc1ccc(OC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c(OC)c1 732633956 QFCMYCQHMIHKNX-UHFFFAOYSA-N 459.542 5.043 30 20 JKED C=CCN(C(=O)COC(=O)Cc1cccc(O)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 743265664 HDAMZXOFHZXXBZ-UHFFFAOYSA-N 477.369 5.127 30 20 JKED COc1cc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)ccc1S(C)(=O)=O 747061989 RYSLQOSBUQXPGI-ZRDIBKRKSA-N 456.947 5.227 30 20 JKED COc1ccc(-c2nc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)cs2)cc1 767106842 NRCACTLXDVNFFV-UHFFFAOYSA-N 458.568 5.448 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)cc1C 799215040 HLVDXNCOZJFPOO-SFHVURJKSA-N 460.397 5.046 30 20 JKED COc1cccc([C@H](CNC(=O)/C=C\c2ccccc2C#N)c2c[nH]c3ccccc23)c1OC 799926161 XYGDZMNSLGIOAG-XYSUMVETSA-N 451.526 5.018 30 20 JKED COc1cc(/C=C2/Cc3c(O)cccc3C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 810249886 IRGCUSARDZSRJN-DHDCSXOGSA-N 467.880 5.033 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N([C@H](C)c2ccccn2)C1=O 837832468 POHMFHYQQJAPAF-JPYJTQIMSA-N 474.586 5.120 30 20 JKED CN(C)c1ccc([C@H](CNC(=O)c2ccccc2SCC#N)c2c[nH]c3ccccc23)cc1 901851132 RVKANDQKMGNEFQ-QHCPKHFHSA-N 454.599 5.411 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2sccc2C)cc1 914551182 ZEYVDTKZWSFKLZ-NRFANRHFSA-N 495.626 5.234 30 20 JKED N#C[C@H](C(=O)CCNC(=O)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102993 NDELJTPVMQGHRZ-QGZVFWFLSA-N 458.370 5.042 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2ccccc2)o1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103374 UIJIEQYHLJPFOS-JUZOYQPNSA-N 458.587 5.470 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 916214879 BYZCSQDBGICAKF-GOSISDBHSA-N 480.417 5.299 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cc(Br)cs2)cc1 916321444 ZNEGCYGGEXUWHY-UHFFFAOYSA-N 451.415 5.150 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1 916889966 KMQTTYGEKBRIIK-QGZVFWFLSA-N 459.449 5.107 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 916947458 KUKKOEAOJXXZKP-GKBBYZSKSA-N 467.569 5.409 30 20 JKED Cc1sc2ncn(N=Cc3cn(Cc4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)c2c1C 917025887 GVTOYTKQULTPTR-UHFFFAOYSA-N 473.989 5.522 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917044376 RGUDVUDDSYMRCV-OAHLLOKOSA-N 453.980 5.061 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046183 HAPGTUNJZKWCBL-SKDRFNHKSA-N 452.750 5.251 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Oc3ccccc3)c(F)c2)cs1)c1ccc(F)cc1F 917144347 HLIICBROHUEICS-LUAWRHEFSA-N 494.494 6.933 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ncnc3sc(-c4ccccc4)cc23)cs1 917536012 OPKJYGAWMFGIBW-UHFFFAOYSA-N 484.610 6.254 30 20 JKED CCCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1OC 917560509 OXJWKIODDBYCRU-FMIVXFBMSA-N 485.005 6.565 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@H](C)c2ccccc2)c1 917609639 KHHNVFHMJXVBPX-HXUWFJFHSA-O 460.623 5.251 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2cccc(C)n2)C1=O 917660363 CUJMEVBNPSVQQT-DEOSSOPVSA-N 488.613 5.176 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)c1 917677833 YPNIKMQXXJNVHE-QHCPKHFHSA-N 458.587 5.167 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccnc(C)n2)cc1 917682957 NSRBWDLTKLJOFD-QFIPXVFZSA-N 494.020 5.216 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 917683355 WXMXRSXOJCAKPB-GOSISDBHSA-N 480.417 5.299 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C)cc3)C2=O)cc1 917700060 CARUKGVEAGFDMP-VWLOTQADSA-N 496.592 5.230 30 20 JKED CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 918456115 PESRMZBIPTXGLW-RUZDIDTESA-N 487.003 5.191 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3c(Br)cccc3C2=O)cs1 920066656 IKIVLXZZZLRPBM-UKTHLTGXSA-N 473.323 5.388 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 920109272 NMYOSIAYFMFSEM-QHCPKHFHSA-N 465.509 5.138 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)n2)cc1 920140395 FUAUCHSXPBCMFK-ZUURVNMSSA-N 455.539 6.439 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2nccc3sccc23)cs1 920375332 SFXODOHTWAAGKY-UHFFFAOYSA-N 461.494 5.902 30 20 JKED COc1ccccc1-c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(O)n1 1125754419 UBUJHPMVLKTVRR-UHFFFAOYSA-N 451.482 5.166 30 20 JKED CO[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C 1299701386 RWYJYOOMOIFHHH-MRXNPFEDSA-N 482.444 5.000 30 20 JKED CCC1(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(CCC#N)CCC(C)C)CCCC1 1762528238 YZTUEEYNNPMMSR-UHFFFAOYSA-N 461.614 5.330 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4cc(Br)ccc4c3)C2)C1 1778393683 ASWBWKWSHMUPPF-AREMUKBSSA-N 499.449 5.038 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)CCC2)cc1 1785842657 ZKJGZUPWSBZPBX-NRFANRHFSA-N 497.636 5.039 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786058323 HNCBQTOKXPLEML-VJBWXMMDSA-N 481.637 5.026 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3Oc3ccccc3)CCC2)cc1 1786361188 UBCRXJCHPVPGDH-OAQYLSRUSA-N 468.553 5.265 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CCC2)cc1 1786362722 VNFTWOCUTSEHBL-MOPGFXCFSA-N 486.534 5.067 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)CCC2)cc1 1786678842 BOIIVFDAXVNVIN-UHFFFAOYSA-N 455.530 5.113 30 20 JKED CCc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)nc3C(F)(F)F)cc2)CCC1 1788359152 YJBPLWFWJMDTEF-UHFFFAOYSA-N 499.518 5.052 30 20 JKED CC1(C)Cc2cccc(C(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)c2O1 1788498724 YRANKZRFUXJYJJ-UHFFFAOYSA-N 495.579 5.098 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)c[nH]4)cc3)CCC2)cc1 1788721553 OUINRRAHLLEIGM-UHFFFAOYSA-N 466.463 5.161 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncoc5c4)cc3)CCC2)c(Cl)c1 1789078896 QFHPRYKKKRIIBM-UHFFFAOYSA-N 470.916 5.414 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)cc2c1 1789241868 PNWUKEDUMCPKSD-UHFFFAOYSA-N 465.509 5.375 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5ncc(C(F)(F)F)cc45)cc3)CCC2)CCC1 1789293609 NZXZHBHWIHMLAX-UHFFFAOYSA-N 481.478 5.023 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCNc3ccc(C)cc3C)cc2)CCC1 1789566192 PTQSRHJGSOWGJS-OAQYLSRUSA-N 464.610 5.040 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)c1 1790074143 DVUMXAOOCUCADA-UHFFFAOYSA-N 494.473 5.042 30 20 JKED CCCCCc1ncc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)s1 1790149249 YYCJNXGNQOMWBL-UHFFFAOYSA-N 461.591 5.137 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC3CCC3)CCC2)cc1 1790521453 KBPSONINVBYFRM-QFIPXVFZSA-N 469.626 5.170 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C)c3)CCC2)cc1 1790565777 CVEXPLIGUDPNMF-KRWDZBQOSA-N 486.410 5.306 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cnc5cccc(Cl)c5c4)cc3)CCC2)c1 1790979133 XQNRHMHEVGCTDQ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4C[C@@H](C[C@@H]4F)N3C(=O)OC(C)(C)C)cc2)CCC1 1791419438 PEPASUSPWBWTMB-RSYUGDCRSA-N 499.627 5.069 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1 1792036865 BGBVALFQJPFMSX-JOCHJYFZSA-N 481.637 5.170 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4OCCO5)CCC3)cc2)c1 1792123616 MSXYDRCCVBRMDG-IBGZPJMESA-N 481.552 5.146 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1792267039 IBMSSQHHDCGUPH-UHFFFAOYSA-N 451.526 5.589 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 1796962532 XTESJEPMHGGAQU-BKFWDETESA-N 487.987 5.356 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)c1ccccc1 1798556961 PKEPVSVQMQRGKN-NDBXHCKUSA-N 493.529 5.026 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccnc1 1802495720 MRFCBOSTJYYUNO-NOZRDPDXSA-N 463.622 5.182 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)[C@H]1c1cccnc1 1802499234 REYPSFSYUFKPPM-PXNSSMCTSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1802502324 AXVWOQPDXZGPPQ-VWNXMTODSA-N 488.657 5.517 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1803083386 CAQQFZIYPUTGMA-BDYUSTAISA-N 468.601 5.026 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1803602754 DXSQGCZMKXDEED-VDGAXYAQSA-N 499.986 5.028 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(F)cc2F)[C@H]1c1cccnc1 1803980851 YLBVWFOOONBFAQ-LANNOVGDSA-N 467.560 5.071 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)CC2)C1 1805044816 VWQWTBKNGSTNRC-UHFFFAOYSA-N 498.549 5.162 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)Cc3ccccc3Cc3ccc(F)cc3)CC2)C1 1806679182 ABFFRXFAECIQKZ-UHFFFAOYSA-N 494.676 5.109 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccnc1 1807154570 ZHEFGVBVCOXUMS-AUSIDOKSSA-N 470.013 5.056 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)cc1 1808419696 UUAJVYRXPMUCDD-ZNIUSCDDSA-N 487.625 5.025 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(C(F)(F)F)cc4)C3)CC2)c1 1809277807 UQCVXYWTGNPDNZ-FQEVSTJZSA-N 497.561 5.420 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1809753200 ILCTYPDXXVKASM-AVRDEDQJSA-N 467.660 5.670 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1810180931 AKPQNSHHVKFPRG-DCLXLUIPSA-N 462.619 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1810500000 KILDSOKJVZLVJG-QPGRZUOQSA-N 471.601 5.539 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1811418788 ASFOMUAOMCUMBG-XMRFLYQSSA-N 479.024 5.143 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c1 1811712357 CIGWITXWUUUBRS-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1812782333 APQKYYVCUJKBJK-DWBJNLRHSA-N 486.660 5.198 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)[nH]n1 1814441892 UJXIAOZEUMGVKM-NRFANRHFSA-N 483.016 5.167 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)[nH]n1 1814829644 VTCPZTWVUMFAQX-OAQYLSRUSA-N 462.550 5.239 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1815209552 KDNMTSHFYLIRBO-FQEVSTJZSA-N 466.607 5.222 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1815247072 VNUXMNPVDSKLBR-SJLPKXTDSA-N 499.862 5.086 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1815656090 GROYQTBLHQCXFX-GOSISDBHSA-N 454.621 5.158 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)ccn1 1816108446 SVLSQMDMONHOIL-OAQYLSRUSA-N 490.995 5.247 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnn(C(C)(C)C)c2Cl)n[nH]1 1816198546 ZUWUTHYEGIGPJN-GOSISDBHSA-N 475.037 5.313 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)s3)n[nH]2)c1Cl 1816398880 DZPQJJMITDPFQU-OAHLLOKOSA-N 474.373 5.269 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817208465 HRKPWNJKWWRZDR-NTYBTQPHSA-N 487.648 5.548 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3ccc(C)cc3)n[nH]2)C1 1817741707 SXHPOVCCDGTJJE-HSZRJFAPSA-N 455.562 5.052 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3nn2)n[nH]1 1817934429 RZKROKLQLFEBMC-GCJKJVERSA-N 478.984 5.081 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)nc2ccccc12 1818657811 FTTXQSFBZIBDPV-BCHFMIIMSA-N 492.583 5.513 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1819386641 FOSWJQMXQYIRMZ-SRUXOGRHSA-N 468.718 5.279 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1819493659 RLCXDMBFSFPYDW-LLCJOVMTSA-N 471.561 5.348 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)[nH]n1)c1ccccc1 1819515994 FCKNOQKSUJWMDJ-IRLDBZIGSA-N 487.629 5.247 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(Br)cc2C)n[nH]1 1820315354 AURJEUBRMMXHHE-DOMZBBRYSA-N 465.417 5.060 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126069 HPDBHGOZPHIKCK-FUHWJXTLSA-N 488.963 5.342 30 20 JKED C=CC[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821175736 OHBPLOAUJHRKIQ-RDJZCZTQSA-N 474.586 5.322 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821177965 GCKRBYMMWNZJOM-QFIPXVFZSA-N 473.577 5.294 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC#N)[nH]n1)c1ccccc1 1821757462 PTRHMRBLCMSHOA-SQHAQQRYSA-N 492.668 5.061 30 20 JKED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)[nH]n1 1821874794 CTIDVQFPHADHDM-BRVOVERQSA-N 487.579 5.086 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)n[nH]1 1822288321 JFASZXQXXSVZGI-DHLKQENFSA-N 452.574 5.174 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 1823682946 NPRWRBHWGKVHGR-RUZDIDTESA-N 464.009 5.078 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c[nH]c4cccc(Br)c34)CC2)C1 1823698103 IYJNNZFNEJYUMF-QHCPKHFHSA-N 498.465 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3c(C)cccc23)CC1 1823753001 BDEYDXCAEUAPFW-JOCHJYFZSA-N 450.627 5.097 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)cc1 1823895811 JJQQMNUMIPMEBW-VWLOTQADSA-N 481.999 5.217 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1824053115 FQWZWOWDOTUDSZ-HHHXNRCGSA-N 496.611 5.079 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc(Cl)c2)CC1 1824137159 BQLPTPUARTYGGW-XMMPIXPASA-N 459.030 5.107 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824497906 IKDZOVMGPKVDAI-XNMGPUDCSA-N 454.655 5.029 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC(C)C)cc2)CC1 1824502514 LAWVUOVLRNFSOI-SANMLTNESA-N 454.655 5.101 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1)c1ccc(O)cc1 1825301953 AYBBMYWSOHNRGV-JDNYJCGDSA-N 490.669 5.284 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1825575350 LZOARDPXKPAJBS-MUUNZHRXSA-N 498.602 5.434 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)CC1)c1ccc(O)cc1 1825881724 ZFEBGPUGFKKEQI-SQHAQQRYSA-N 476.617 5.033 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825962918 VPYLSTMVZFUAKK-HXUWFJFHSA-N 452.517 5.034 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)CC2 1826039828 AGYHMFUIAULWME-QGZVFWFLSA-N 488.638 5.382 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(C)=O)CC1 1826590759 RPVPWPABYWKKLS-ZEQRLZLVSA-N 479.706 5.270 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)CC1 1827365418 UBUNCDZSNKDIMG-MHZLTWQESA-N 492.623 5.439 30 20 JKED Cn1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc2ccccc21 1827995828 PGHDLMLXLILKQP-VWLOTQADSA-N 489.019 5.250 30 20 JKED Cc1nc2ccncc2cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1828537060 FFYUVHRVANPNJL-NGOKVRLYSA-N 495.627 5.112 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccc(F)cc2F)CC1 1828820973 HQZCBTLAQDBSFV-GMAHTHKFSA-N 476.633 5.445 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc(Cl)c2)CC1 1828824744 PURWCKZJMICTKI-BJKOFHAPSA-N 459.030 5.107 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1828906440 MPOMGVKCBPFTRG-XMMPIXPASA-N 498.143 5.496 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3n2)CC1)c1ccccc1 1829032046 INHJLKWFCJLNME-LITSAYRRSA-N 494.639 5.060 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622425 GOPKKZRPFGUVQA-HYBUGGRVSA-N 475.658 5.158 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)CC2)c1Cl 1830098297 RSMYCVHDXXOIEM-JOCHJYFZSA-N 471.935 5.037 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830532008 NDJRRZNJCXWNJL-VQTJNVASSA-N 474.564 5.032 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1830637855 XECCSMCLCFGVRF-JIPXPUAJSA-N 496.611 5.516 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1 1830639801 GAPUTHWANUIBOE-BJKOFHAPSA-N 497.680 5.006 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723600 LAYHZYGFGYQHMP-WZONZLPQSA-N 497.064 5.021 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755366 XGOLIAJNMUONCL-HXUWFJFHSA-N 499.524 5.492 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2O)CC1 1830954892 PNAYKCICVADBPA-REWPJTCUSA-N 450.579 5.140 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1831372761 JMQJYVDBRVIQNH-GAJHUEQPSA-N 475.555 5.632 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c(F)cc2OC)CC1 1831374108 LKZSTFDEEMAXPY-HRAATJIYSA-N 495.433 5.042 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1831374850 IQDOUSMZEYUTIC-NLFFAJNJSA-N 467.654 5.179 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831726022 NMECJHRBFXWLNU-SQHAQQRYSA-N 479.640 5.628 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831744871 HJBKLHXESCXGSR-SANMLTNESA-N 468.707 5.432 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831790977 LEZCWWIQIHEBRX-SFGWMHHMSA-N 498.667 5.313 30 20 JKED COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1F 1832593903 ZEWKSDVAHNUECT-KBMIEXCESA-N 477.580 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)c1 1832634305 UPFWEEKKXJHBKK-MBSDFSHPSA-N 498.549 5.275 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832673936 RSKJYJCOIUELGW-AFMDSPMNSA-N 494.035 5.523 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3OC(F)F)CC2)c1 1832678515 QHUSFUFRZBANLG-DVECYGJZSA-N 495.570 5.462 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 1832720598 ZBSULWYHAUNTTG-FQEVSTJZSA-N 469.840 5.846 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C1 1844696902 MUPPDBPQAQGILL-AWEZNQCLSA-N 458.883 5.083 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc4c3oc3ccccc34)C2)c1 1845736980 FWVQELADNKMEPP-IBGZPJMESA-N 463.537 5.344 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174124 QJAUZHXSBYKKIX-UHFFFAOYSA-O 495.493 6.154 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 10178879 DEOIGDHZFAYOME-UHFFFAOYSA-O 464.054 6.346 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Br)c2)cc1 11084818 RZAXXIRSBPCOLR-UHFFFAOYSA-O 476.366 5.628 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11114072 SWQQJTZEVZNODZ-UHFFFAOYSA-O 499.672 7.416 30 20 JKED COc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)ccc1OCC(=O)Nc1ccccc1Cl 14202578 MUKDYOFAPRVGNH-RMKNXTFCSA-N 463.917 5.197 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2cccc(C)c2)c(Cl)c1 15248335 JHQIXXQBVYQEHD-UHFFFAOYSA-O 488.858 6.366 30 20 JKED C=CCn1c(SCC(=O)NCc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1Cl 15584545 IAKKHNNYYVUNHP-UHFFFAOYSA-N 467.809 5.500 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccnc2Cl)nc2scc(-c3ccccc3)c2c1=O 16715363 BCRNJUSDIKGEKD-CQSZACIVSA-N 483.018 5.479 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1[C@@H]1COc2ccccc2O1 21668066 JIHLARBVJRFDDG-VGSWGCGISA-N 464.591 5.219 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)c1 21761702 DKCOWLHDOPGZGB-QGZVFWFLSA-N 453.999 5.180 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 22679491 XVCRSSAKGOMGMD-CQSZACIVSA-N 477.417 5.416 30 20 JKED C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(c1ccccc1)c1ccccc1 25976080 DBSRTDPEWLSFMT-FQEVSTJZSA-N 480.568 5.359 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1C 26113234 PVZSPTCUSFQUPA-IBGZPJMESA-N 459.600 5.366 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)cc1 32058433 AQNCOPVWWYQLQE-UHFFFAOYSA-N 472.376 5.285 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 36748062 NQSJNSXCROYELF-UHFFFAOYSA-N 454.486 5.454 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2ccccn2)c(C)c1 108248754 AYOHNZZJGULCIK-NRFANRHFSA-N 482.613 5.374 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(CN2CCCC2)cc1 409473189 BLHXYQOEKRZODG-UHFFFAOYSA-N 460.391 5.082 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481104488 NMLFQMJQLFWFSO-KRWDZBQOSA-N 471.488 5.181 30 20 JKED Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 482367263 RAPDBFWINKERSE-UHFFFAOYSA-N 458.587 5.341 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3Cc3ccccc3)c2)cc1 484146528 YYDBGBUNZCUPKO-LBNVMWSVSA-N 481.596 5.188 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3nc(-c4cccs4)no3)s2)c(C(F)(F)F)c1 487452903 ZRPHEBPIISCKBK-UHFFFAOYSA-N 489.504 5.307 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CCC)CCc2ccccn2)c1 489764034 HBQVFVNQZLEFGR-UHFFFAOYSA-N 498.048 5.211 30 20 JKED COc1ccccc1N1CCC(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 495091706 STCAJPINZLHCNN-UHFFFAOYSA-N 470.573 5.131 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1nnc(SCc3ccc(C#N)cc3)s1)O[C@H](C)C2 500123276 LEHZIRFRUOQPHR-WNYOCNMUSA-N 492.626 5.166 30 20 JKED COc1cc([C@H](C)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1OCc1ccncc1 502724419 UJTQXNBNRTZEPF-NRFANRHFSA-N 493.563 5.611 30 20 JKED O=C(Nc1cc(Cl)ccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503138912 IAJYPAWXDZLBTF-UHFFFAOYSA-N 487.162 6.003 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 503170750 QOGQHWJHGYVZGO-UHFFFAOYSA-N 499.614 5.309 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 508252779 QXGPTJFMGNEDBH-XMMPIXPASA-N 457.530 6.127 30 20 JKED CCN(C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)[C@H](C)c1ccc(C#N)cc1 509587405 LEURGHGRDLKFTO-QGZVFWFLSA-N 476.374 5.796 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)cc1 509957371 MCZGIOUOSCMQQB-UHFFFAOYSA-N 453.251 5.255 30 20 JKED CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510005028 IWZAOWZUWMJNTP-DEOSSOPVSA-N 455.949 5.845 30 20 JKED CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 510268793 IVQXMFNELKSLMS-UHFFFAOYSA-N 455.558 5.151 30 20 JKED Cc1ccc([C@H](CN2CCOCC2)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510536489 FHCLWUUTXSSAJI-MHZLTWQESA-N 470.573 5.162 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCOc3c(Cl)cccc32)nnc1-c1ccc(Cl)cc1 511522518 MCDFJSFKHJOWRN-GOSISDBHSA-N 475.401 5.170 30 20 JKED N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nnc(-c3ccccc3)o1)CCCC2 512338433 YHJCOQQHJKCPSO-UHFFFAOYSA-N 455.543 5.009 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 514031265 QSJSPSUDXKVOIU-UHFFFAOYSA-N 470.592 5.595 30 20 JKED CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 515893273 UMTHZSQEXFDBHS-ISKFKSNPSA-N 495.048 5.195 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 517092195 PDUJBXVHYWHIQE-HXUWFJFHSA-N 457.368 5.079 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 517473725 RPPHTQHQAGKTDK-UONOGXRCSA-N 476.396 5.355 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 517800920 PLCUSQBYYDTXKF-NRFANRHFSA-N 484.537 5.829 30 20 JKED Cc1nc(SCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c2c(C)c(C)sc2n1 518275002 BOSKTMURXJUNGX-UHFFFAOYSA-N 464.538 5.171 30 20 JKED O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 519125281 CBOPOPUJVPTYER-UHFFFAOYSA-N 496.770 5.471 30 20 JKED CCOc1c(Br)cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1OC 519485341 UWCDGMPYODXFSI-AWEZNQCLSA-N 458.139 5.158 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 520681128 DNWIDJYQTULYCX-LJQANCHMSA-N 457.530 5.306 30 20 JKED COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 520837503 XPASQEGPVPBBIT-GOSISDBHSA-N 491.638 5.930 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 522442529 RHFAFKHXYZIMHR-UHFFFAOYSA-N 491.547 5.246 30 20 JKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(C(F)(F)F)cn1 522529260 JHHSQLFKWACAER-OAHLLOKOSA-N 454.433 5.419 30 20 JKED CCCn1c(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)nc2ccccc21 524421866 OMBSYKAQVJUEKY-UHFFFAOYSA-N 469.570 5.301 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 524423007 RKHSPOLTRWGXDE-NRFANRHFSA-N 482.005 5.694 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 591861816 FJKCLFDNYOEZNR-JXXFODFXSA-N 482.005 5.608 30 20 JKED CCOc1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)c2c[nH]c3ccccc23)cc1OC 603650728 IRVNLPLTXWIMAO-QHCPKHFHSA-N 468.557 5.595 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)cn2)cc1 603764213 IGEKIIQIFRRJOK-QGZVFWFLSA-N 467.451 5.014 30 20 JKED N#Cc1c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc2c1-c1ccccc1CC2 603992344 RSJJBZHXPMLFFG-UHFFFAOYSA-N 482.531 5.654 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)NCc4ccccc4)CC3)cc2Cl)cc1 604090353 WCPBDHITMMBJRW-UHFFFAOYSA-N 488.975 5.564 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 604241780 NGVGLAYJNQGKIF-UHFFFAOYSA-N 470.558 5.180 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CCOCC2)cc1 604460664 QCAQFBORKJKCTQ-UHFFFAOYSA-N 457.530 5.229 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(COc2ccc(F)cc2)o1 609062021 RONPMNMYAQJIQY-UHFFFAOYSA-N 456.473 6.009 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCn1c(C)nc2ccccc21 609079292 UUQZRWTUXRMMBK-UHFFFAOYSA-N 453.546 5.316 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1 609153649 YWJSUCYKXIAMHP-UHFFFAOYSA-N 471.561 5.848 30 20 JKED CC[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1OCC(=O)N(C)C 609209966 YKEHXLHEMQUXES-XMMPIXPASA-N 472.545 5.090 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 622255328 HWUWIUZJYLMLFS-MRXNPFEDSA-N 451.960 6.086 30 20 JKED O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 623851383 VGNOTBWULXMZKJ-KBPBESRZSA-N 465.369 5.285 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)n2)cc1 642281299 WTJDYUQCQRNIRC-KRWDZBQOSA-N 477.998 6.576 30 20 JKED Cc1nc(COc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)no1 642281400 DWCCDLPHTDFTHM-KRWDZBQOSA-N 485.352 5.877 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCC 663510689 HCULLMVJTBEMAR-OAHLLOKOSA-N 462.040 5.217 30 20 JKED C=CCn1c(SCc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)nnc1-c1ccoc1C 684184255 LVWXNGCQGYSRCW-LBPRGKRZSA-N 452.609 5.037 30 20 JKED Cc1cc(-c2cc(C(=O)OCCOc3c(C#N)cnc4ccccc34)c3c(C)noc3n2)c(C)o1 726366091 LSSWDHIUTMSJDN-UHFFFAOYSA-N 468.469 5.064 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 726394244 TYZNGOATMNVCHR-FDDCHVKYSA-N 461.587 5.225 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 726421243 OTNRLCSOBFCTEY-PUFVYLLPSA-N 496.702 5.073 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3c(C)noc3C)C2=O)cc1 726422014 UEGLWNMFLIEOFM-KAVHPSCTSA-N 482.631 5.251 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc1OC 726517863 DWEJNCMCQLLOOT-SOFYXZRVSA-N 479.554 5.108 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2ccc3c(c2)CCCC3)C=C1 726571992 LSQLQHJXNCJMRS-UHFFFAOYSA-O 499.443 5.666 30 20 JKED O=C1/C(=C\C2=Cc3ccccc3OC2)CN(Cc2ccccn2)C/C1=C/C1=Cc2ccccc2OC1 726744284 ZQIBWFDEFDIMEM-FHOIBDKLSA-N 474.560 5.271 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCc3cc(C)ccc32)cn1 726893283 XWPCJHNCQYMTTM-XZOQPEGZSA-N 486.597 5.046 30 20 JKED CC(C)[C@H](NC(=O)c1ccccn1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 727627293 MHKKKOYYCLXKBZ-BEFAXECRSA-N 473.385 5.143 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cs1)c1ccc(C)cc1C 728345445 IVEPZUQWQVMQOI-XMMPIXPASA-N 474.586 5.028 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1 728736362 BNCSNVANUZOGEB-QHCPKHFHSA-N 469.463 5.206 30 20 JKED COc1cc(-c2nnc(SCc3ccc(OCC#N)cc3)n2C2CCCCC2)cc(OC)c1OC 729241821 DGGLVTQOKUHUMI-UHFFFAOYSA-N 494.617 5.671 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C/C(=O)c1cccc(NS(C)(=O)=O)c1 729820006 JBKMCEPMQYRIBL-MDZDMXLPSA-N 483.899 5.121 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCC3)C2=O)c([N+](=O)[O-])c1 730460600 CERBNPAAJOQIMP-IBGZPJMESA-N 472.954 5.069 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1 731067272 XZJGOZNPFXDYCA-INIZCTEOSA-N 479.583 5.048 30 20 JKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731068609 HFMFFNQDCZIPTR-KGLIPLIRSA-N 467.374 5.337 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCSc3ccc(Br)cc3)n2)cc1 731137922 UATKJZBBDPXIFJ-LJQANCHMSA-N 482.428 6.193 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)cc2)cc1F 731309929 XRXUWVHNYIBJKY-QFIPXVFZSA-N 481.524 5.139 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc2)c1 731331885 UMJZQDURLQHPGY-OBGWFSINSA-N 487.581 5.002 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 731400770 UAHYLGRCBBUATF-UHFFFAOYSA-N 450.539 5.214 30 20 JKED O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCCSC2=Nc2ccccc2)CC1 732621399 IMBDWXLGWLFFQK-UHFFFAOYSA-N 457.599 5.345 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccoc2C)n(Cc2ccccc2)c1=S 746050505 MVQUEAFNACSWDM-UHFFFAOYSA-N 473.602 5.009 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)c1C 747599145 GLDPBSWNBIFQNO-HXUWFJFHSA-N 486.569 5.199 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cnc(-c2ccccc2Cl)s1 748003534 BNHBICFAOGHFSW-CQSZACIVSA-N 463.918 5.739 30 20 JKED C=CCn1c(SCC(=O)OCc2cc(-c3ccco3)on2)nnc1-c1ccc(Cl)cc1Cl 749148590 HGGZAXPGHDLCHL-UHFFFAOYSA-N 491.356 5.521 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 749338268 NMXQPCZXJVHIBG-QGZVFWFLSA-N 483.977 5.529 30 20 JKED COC[C@H](C)n1c(SCC(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)nnc1-c1ccccc1 751041169 XLGYHTDWIKEFQM-IBGZPJMESA-N 484.581 5.389 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 809769311 DLRMHVJXALLDNG-UHFFFAOYSA-N 493.361 5.070 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cccs3)C2=O)c1 837301082 FUOKWRNQHKVOJK-JOCHJYFZSA-N 495.626 5.234 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3cc(Br)cs3)no2)CC1 904393674 BRNHMZHTZORVPW-UHFFFAOYSA-N 472.324 5.064 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](C)Cc2ccco2)C1=O 914694636 QBNOCSBDPPCMDL-AOMKIAJQSA-N 498.004 5.533 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)nc(O)c2c1C 915101962 LJSDQGUJZNJZMD-GDBMZVCRSA-N 480.640 5.635 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 915863267 WWHOYYOBEGLGGK-ZJSXRUAMSA-N 477.486 5.348 30 20 JKED COc1ccccc1NS(=O)(=O)c1ccc(NN=Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 916255979 YVKYLRVLISKMQC-UHFFFAOYSA-N 495.344 5.157 30 20 JKED Sc1nnc(SCc2ccccc2)n1N=Cc1cn(Cc2ccccc2)nc1-c1cccnc1 916368341 CCEPHHDJGYVPER-UHFFFAOYSA-N 483.626 5.048 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2ccc(Cl)c(C(=O)O)c2)cc1OC 916539707 FEYMDQNRNIZESM-UHFFFAOYSA-N 490.947 5.413 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cn1 916679107 JLYVOSVWAJMTOS-RUZDIDTESA-N 478.552 6.250 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc(O)c2c3c(sc2n1)CCCC3 916848017 YIBLPWJRILEKDK-RTWAWAEBSA-N 495.560 5.220 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)Nc1ccc(Cl)cc1 916884179 ZMOWEJHFOLDWTO-KRWDZBQOSA-N 474.767 5.116 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)cc1 916953483 CNDRETKFFDGJPS-VGSWGCGISA-N 475.618 5.146 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)CC1=O 917040255 IXJYNIOCIYWIRI-XYJFISCASA-N 450.489 5.174 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc(Br)c1OC(F)F 917645267 WBDMRWWRGRIIBR-OVCLIPMQSA-N 497.342 5.337 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(C3CCN(C(C)(C)C)CC3)C2=O)c1 917675479 KHJVAAAFUFPOEP-XMMPIXPASA-N 492.689 5.527 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)s3)C2=O)c(OC)c1 917675678 VTPNDVKOXZJQID-QFIPXVFZSA-N 495.626 5.234 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccnc(C)n2)cc1 917683055 QLPOPHYMNWXLGK-OAQYLSRUSA-N 497.983 5.046 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)cc1 917683455 XEPITGCCDNUYRD-HSZRJFAPSA-N 472.545 5.166 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CCc3cccs3)C2=O)c1 917703505 NJYSWDXOGXWRBZ-QHCPKHFHSA-N 488.638 5.440 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)ccc1Cl 918013214 JVCKTGTWHAWERK-JOCHJYFZSA-N 469.994 5.027 30 20 JKED C=C(Br)CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 918715943 BJZLFISXEWRHHR-UHFFFAOYSA-N 452.175 5.093 30 20 JKED CCOc1cc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1SCC#N 919452158 RGORAEAVDSCZLU-UHFFFAOYSA-N 452.557 5.225 30 20 JKED CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 920113479 XVKUZVHPJJAEOD-HYBUGGRVSA-N 476.001 5.663 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2F)no1 920353837 TWPFANLBNDQQOR-HSZRJFAPSA-N 488.544 5.436 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c1 920354268 BQYDVGKPKFXLKN-JOCHJYFZSA-N 480.565 5.208 30 20 JKED Cc1ccccc1C1(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCOCC1 920672194 KYXPJCACKBRQKQ-UHFFFAOYSA-N 477.605 5.020 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806423 LBDQHDDZYHZIPW-DOMZBBRYSA-N 475.517 5.164 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)OCc1cc(Br)cc2c(=O)c(C=O)coc12 925839818 CUGIOPOCQPANTR-UHFFFAOYSA-N 488.293 5.264 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 1779512235 QRTXIUWZAHESNB-PDDLMNHVSA-N 490.644 5.599 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c4nncn4c3)CCC2)cc1 1785843241 VOBYDFYZBCYWHW-UHFFFAOYSA-N 465.985 5.123 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)cc2)CCC1)C(F)(F)F 1786180131 HDJDKCHLIRHNOQ-ZWKOTPCHSA-N 464.434 5.321 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccncc4)cc3)CCC2)c1 1786770433 JMAORRWIJGJLQU-IBGZPJMESA-N 470.598 5.249 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c(C(F)(F)F)o1 1787398420 NGTCLMUNBYQPFW-UHFFFAOYSA-N 467.447 5.540 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)CCCC5=O)cc3)CCC2)c1 1789041197 HJVYMVGZLLCVRP-UHFFFAOYSA-N 463.537 5.139 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc5[nH]ccc5s4)cc3)CCC2)c1 1789104259 HCEDUOYMIFSHNS-UHFFFAOYSA-N 458.518 5.302 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4nc3C)cc2)CCC1 1789248424 IFRQXEFMSNWXIS-UHFFFAOYSA-N 456.590 5.678 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccc(C)c5[nH]4)cc3)CCC2)c1 1789254404 COODCGMGVCAXIG-UHFFFAOYSA-N 478.552 5.418 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)o1 1790785502 QBWHZDNVSBPJHW-UHFFFAOYSA-N 467.447 5.540 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCCNC(=O)OC(C)(C)C)CCC2)cc1 1791244430 RSTVRYVEVQDJMV-LJQANCHMSA-N 457.615 5.028 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CC3CC4(C3)CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791254773 XXVZRBVVTHPMEF-FQEVSTJZSA-N 495.664 5.370 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)CCC2)cc1 1791583618 QPCDLDSJMSZWGZ-UHFFFAOYSA-N 468.479 5.133 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccco3)cc2)CCC1 1791802155 GCDLMUFRILWZFC-KNQAVFIVSA-N 495.620 5.582 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cnccc45)CCC3)cc2)c1 1792125346 WBZCHDWYASEXEV-GOSISDBHSA-N 463.541 5.251 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](O)c4ccccc4Cl)CCC3)cc2)c1 1792127285 VBVJZQFDGJARPN-AVRWGWEMSA-N 487.987 5.448 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)cc2)CCC1 1792332862 GWBZINSHRPFADL-NQIIRXRSSA-N 457.615 5.026 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4ccccc24)C3)cc(C(F)(F)F)c1 1800739449 XDNPFEIMIQUDEC-KOUNCHBCSA-N 477.486 5.296 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1803602796 FNJVJMLFDAKPEY-XPGWFJOJSA-N 499.986 5.028 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)s3)[C@@H]2c2cccnc2)c1 1805530045 JNSWMTGLNYFBKC-LQNXUBFPSA-N 479.005 5.057 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)CC1 1808900990 GHWXYFKGFOLCAC-VPUSJEBWSA-N 472.633 5.074 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@H]1c1cccnc1 1810168600 JVHJXJFFWIRTNP-RJRADHEHSA-N 498.627 5.173 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1810443089 FBWGACIWCUNZND-VIJSPRBVSA-N 469.629 5.053 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811418497 WXCINUPBYPBFPX-GPWXESPCSA-N 491.016 5.091 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811539883 UVBCBRKLZSMWGY-WSOLHVCVSA-N 498.627 5.178 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1812596053 DXBICWIWTPHAPN-XTJBDQBJSA-N 480.052 5.465 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1812667407 GZQPTLNKVCVMJF-JXFKEZNVSA-N 489.975 5.481 30 20 JKED CC#C[C@@H](CC(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1)c1ccc(O)cc1 1813120886 WVXGHWYHNKQQKJ-VLXJUPLVSA-N 499.655 5.127 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)[nH]n1 1814443936 JWCBETMMJSQWSB-GOSISDBHSA-N 468.989 5.238 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)c3ccc(Cl)cc3)n[nH]2)c1 1814661544 WXMUBAAERIEGBM-YTZAWJCFSA-N 490.007 5.800 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814739248 QFCDIALWMBXEAT-RUZDIDTESA-N 499.615 5.397 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)[nH]n1 1814828485 MZWRVWVWLKCLNU-LJQANCHMSA-N 490.526 5.300 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C23CC(c4ccccc4)(C2)C3)[nH]n1 1814830981 KTVYYYAHOJYPQR-GHXQVECXSA-N 458.606 5.292 30 20 JKED Cc1ccc(C)c(OCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1815648621 CVSWWRRMHZTVME-GBXCKJPGSA-N 485.588 5.039 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]2)cc1 1818867929 LERDZQWQAKBCCF-MQSCRBSSSA-N 473.964 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)[nH]n1 1819305562 VVDFRNXXWIOYTL-NQIIRXRSSA-N 474.527 5.432 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)C(=O)CC3)n[nH]1)c1ccccc1 1821447882 ZODFDBWIHMIHST-OZXSUGGESA-N 494.595 5.042 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)ccc2c1 1823215655 ZEBOTUYUXJCCOI-NIYFSFCBSA-N 492.583 5.513 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)[nH]n2)c1 1823215841 HFQDPRDKOFSJFU-SPLOXXLWSA-N 481.478 5.074 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1824051912 YEFOHIJBPZBNTO-WENCSYSZSA-N 487.644 5.359 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1824500124 BNASZNRPECYILF-JOCHJYFZSA-N 498.998 5.158 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC(F)(F)F)CC2)cc1C#N 1824876652 URMBOLPCTKFFES-JOCHJYFZSA-N 493.570 5.311 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1825095967 TWAHVWPUAIGOLZ-NXROFTPSSA-N 494.639 5.742 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827365567 YTQCFWOIPHNHJZ-HHHXNRCGSA-N 480.612 5.439 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CCC1 1827734292 AHTXLPQCOOAMOW-QFIPXVFZSA-N 480.008 5.527 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnnc3ccccc23)CC1)c1ccccc1 1828114034 VJZNOSVZVRMKLL-SVEHJYQDSA-N 494.639 5.060 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cccnc3n2)CC1)c1ccccc1 1829032250 LDBQLOSNKYQFNO-IXCJQBJRSA-N 494.639 5.060 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)c1 1829419198 NPUGPBHBMDWGOR-RUZDIDTESA-N 498.652 5.537 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1)C(F)(F)F 1829572863 KGBQUMVUHUYRCM-OAQYLSRUSA-N 499.533 5.575 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1829595408 FFFJZWWDNIUJTG-VWLOTQADSA-N 487.669 6.096 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1Cl 1829692198 FNHINRFQKCTPIB-VWLOTQADSA-N 476.020 5.636 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830631673 LXXZMONBINUKGE-VMPREFPWSA-N 481.640 5.183 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)c(C)o1 1830685625 SQAKHSAEESXWCA-HSZRJFAPSA-N 498.421 5.078 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)cc1 1830750214 MPSIRHXQXZSVKU-HHHXNRCGSA-N 455.602 5.177 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)cc(C(F)(F)F)c1 1830754812 AIXUZMSJEBITIC-HSZRJFAPSA-N 487.566 5.391 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)CC1 1830941150 CIDZPNQCSXFHCJ-QHCPKHFHSA-N 465.638 5.402 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 1831367262 GOIGBPMIGRWPEE-HRAATJIYSA-N 465.407 5.034 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1831852489 NTDAAAWZYZSECZ-NRFANRHFSA-N 468.947 5.396 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831968964 FMJRJCAJZGHXHH-HXUWBTBFSA-N 473.455 5.294 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832629180 LLUILLQNLSTONY-BCQCSXDESA-N 489.685 5.728 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC(=O)OC(C)(C)C)CC2)c1 1832629844 WIMUBALJMGDYNM-SQJMNOBHSA-N 495.664 5.059 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 1832634035 HLPUGUNDUFXGJY-UWJYYQICSA-N 470.038 5.576 30 20 JKED CCC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1838673074 DZWJOHZVPSVIQZ-UHFFFAOYSA-N 486.656 5.135 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cccs2)C1 1842372005 YTJJRXMNSPDALA-FQEVSTJZSA-N 491.698 5.209 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)C1 1844242535 DFZVWARDEFGFGI-FQEVSTJZSA-N 483.653 5.333 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)c1c(Br)cccc1-c1ccccc1)C2 1845980497 PUZAOLGJKJEYSV-SFHVURJKSA-N 467.407 5.145 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1846886538 RRCIXTYWYDYPPW-UHFFFAOYSA-N 492.366 5.133 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174133 HIGQYWAUQCVDGP-UHFFFAOYSA-O 487.567 6.411 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1 10828174 KNRBQCWLYFQJPI-UHFFFAOYSA-O 459.541 5.894 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)c(C)s1 10832970 JIHWAAJVEFQZTO-UHFFFAOYSA-O 456.056 6.236 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)c1 11259914 ZOPBTIRRGMPTSG-UHFFFAOYSA-O 453.534 5.191 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247953 IOWORVZKVNJQQQ-UHFFFAOYSA-O 489.404 6.193 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 16829237 CVNIWOGPUBEXEX-AWEZNQCLSA-N 453.951 5.065 30 20 JKED C[C@@H](OC(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 18594224 XVRIWZKDGCIHBH-CQSZACIVSA-N 477.007 5.030 30 20 JKED C=CCn1c(SCc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)nnc1-c1ccoc1C 21244320 YHDBGWQZFQAGFM-UHFFFAOYSA-N 489.626 5.907 30 20 JKED C[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)N(CCC#N)c1ccccc1 21727939 OGEICMXTYMKWSK-MRXNPFEDSA-N 462.575 5.925 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2ccccc2F)nc2scc(-c3cccs3)c2c1=O 21953701 YPURIPUXFQHAPA-CQSZACIVSA-N 485.631 5.309 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NCc2ccc(OC)cc2)cc1 22692950 NASUTGFYIRFPEU-UHFFFAOYSA-O 461.651 5.787 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(C)c2)cc1 22733092 NBOYWQIHXGGKCE-UHFFFAOYSA-O 460.406 6.039 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1 25242994 WKOPFMDVEYMWOT-HSZRJFAPSA-N 495.044 5.569 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 26514538 DEHNCZKGUUHIHT-AWEZNQCLSA-N 460.481 5.085 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 29278557 LZCNWTPKIMJOCP-UHFFFAOYSA-N 492.988 5.364 30 20 JKED C[C@@H](c1ccccc1)n1cnnc1SCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 117465076 LCIXWAOEZQKEDB-IBGZPJMESA-N 482.613 5.159 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 195595251 TZVATOJBJXKNDT-RUZDIDTESA-N 485.971 6.361 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3CSc3nc4ccccc4o3)CC2)cc1 247642554 IIMJYQJRMDWYRI-UHFFFAOYSA-N 482.609 5.340 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)cc(OC)c1OC 302944473 IOCWTWHORKLLNP-MRXNPFEDSA-N 456.970 5.353 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 302966131 FNRDRQVAXDXTBE-UHFFFAOYSA-N 455.914 5.530 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 302994715 SSJGLZGEYHMBNG-UHFFFAOYSA-N 460.390 5.095 30 20 JKED C=CCN(C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)[C@@H]1CCS(=O)(=O)C1 303037050 VJMWFVZQABLGOT-GOSISDBHSA-N 470.443 5.101 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccc(Oc3ccccc3)cc2)nn(-c2ccc(F)cc2)c1N 409681724 VFQJABYGPWLMEY-UHFFFAOYSA-N 470.508 5.012 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccc(SC)cc1 480402736 JFJJVOXKZYRWGM-QFIPXVFZSA-N 491.569 5.507 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)cc2F)c1 481625861 NHILXDWKVKNQKT-UHFFFAOYSA-N 455.489 6.104 30 20 JKED Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1 488087678 XZTKNKICPUAXMP-XMMPIXPASA-N 457.555 5.121 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)cc1 490653323 WSHJELTZNLPKHS-QFIPXVFZSA-N 465.347 5.124 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 491478514 FJXNTVQOBVGCBE-SANMLTNESA-N 468.601 5.132 30 20 JKED C=CCN(C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)c1nc(C(=O)OCC)cs1 501956444 WIYZMQKZWYGCSS-UHFFFAOYSA-N 487.006 5.515 30 20 JKED C=CCN(C(=O)c1cc(OC)c(OC)cc1OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502954693 CVTJJPJSFGAFAK-UHFFFAOYSA-N 479.385 5.976 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)CC1 505162591 QBOGZRWPTYVNBN-QHCPKHFHSA-N 494.551 5.330 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 512105554 LTHJELSRBYREDO-UHFFFAOYSA-N 485.400 5.143 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C 513671495 JIIFUNPUHBCWEE-NRFANRHFSA-N 450.498 5.400 30 20 JKED C[C@@H]1CN(c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@@H](C)O1 513985278 MROREECMNJIVRM-NHCUHLMSSA-N 472.564 5.545 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccccc1 514898000 KJSLHUCIBXQCNG-MRXNPFEDSA-N 463.632 5.310 30 20 JKED CC(C)Oc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 516181101 JNQQOGPHNOEXRD-KOSHJBKYSA-N 475.976 5.599 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)cc1Cl 517844460 MUGKVXQPWIJCJQ-FBILRYNDSA-N 471.988 5.777 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 518565392 URHBZPPTPQBBIN-MRXNPFEDSA-N 456.527 5.118 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 524676227 MACKFVSAZXHAQN-RBUKOAKNSA-N 459.571 5.547 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3F)o2)n(-c2ccc(F)cc2)c1C 589529072 JVNIPFGWMHJYMF-UHFFFAOYSA-N 465.485 5.025 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4n[nH]c(C5CC5)n4)c3C#N)C(C)(C)C2)o1 590612814 VRLHWVPFQODKSJ-UITAMQMPSA-N 491.642 6.026 30 20 JKED C=CCN(C(=O)c1cc(C(C)C)nc2onc(C)c12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590792417 AQPZNCVOYQUAFQ-UHFFFAOYSA-N 463.519 5.519 30 20 JKED CCOc1cc(Br)c(CC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OCC 603527082 BPBQZGNALLWNSQ-UHFFFAOYSA-N 459.384 5.098 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)c1C 603907079 IVHLLFNPPSDFCT-UHFFFAOYSA-N 492.601 5.859 30 20 JKED Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)sc2nc3n(c(=O)c12)CCCCC3 603969118 DZEXKVKHKPHELK-UHFFFAOYSA-N 460.584 5.345 30 20 JKED CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 604003974 NRDFODLYAFZJRY-UHFFFAOYSA-N 469.585 5.388 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cc2Cl)cc1 604027074 BTHVVFNWBKLXSR-UHFFFAOYSA-N 488.956 5.894 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)cn2)c1 604543728 AUTDQOFIKCAXEU-UHFFFAOYSA-N 464.510 5.307 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609059474 PHJJSHPTFUAXEV-UHFFFAOYSA-N 472.472 5.709 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 609430241 FDKMABHMTPWQOW-INIZCTEOSA-N 486.018 5.787 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1ccccc1 609434972 HWOLHVYXIYCEMJ-WOJBJXKFSA-N 475.614 6.551 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)nnc1-c1ccc(Cl)cc1 617896127 KJYYOBJUNKSZDJ-HOTGVXAUSA-N 487.025 5.160 30 20 JKED O=C(Nc1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(O)c1)c1cc(F)cc(F)c1 619028972 YHPTURASTQRVQI-TXEJJXNPSA-N 496.354 5.126 30 20 JKED Cc1nn(CC(F)F)c(C)c1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517483 JWCSGQFBWPWURJ-HNNXBMFYSA-N 485.375 5.016 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 624855114 UUIGNEHSRQIXPC-RKVPGOIHSA-N 490.410 5.467 30 20 JKED C=CCn1c(S[C@H](C(=O)NC2CCCC2)C(C)C)nnc1-c1ccc(Br)cc1 639430426 IHTIKLSCGLMKDP-SFHVURJKSA-N 463.445 5.069 30 20 JKED C=CCN(C(=O)CCc1cc2ccccc2o1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 676442156 OVIRRLJGADWCFH-UHFFFAOYSA-N 466.584 5.112 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(COC(C)(C)C)c2)cc1F 726106515 OTDOIVRNSIZRJA-QHCPKHFHSA-N 497.636 5.250 30 20 JKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)ccc1-c1ccc(Br)cc1 726320123 SPPPOODWIKNIMQ-HNNXBMFYSA-N 456.727 5.069 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2cc(Cl)ccc2s1 726322550 LXSRLVMNUMPPPU-HNNXBMFYSA-N 477.920 6.511 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC(F)(F)F)c1cccs1 726421321 MGYFSHOJWKDJDG-CGZRUWKSSA-N 491.560 5.853 30 20 JKED COc1cc(/C=C/C(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1OCc1c(C)noc1C 728015117 XDCSRSXZHYDUEK-RMKNXTFCSA-N 469.444 5.004 30 20 JKED C=CCN(C(=O)COC(=O)c1cnc(N)c(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 728633927 QZJXOIUTCIQTJC-UHFFFAOYSA-N 497.791 5.124 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2CCCCC#N)c1 728777365 KKGNLXMKPVUROY-HXUWFJFHSA-N 499.434 5.412 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728778602 SZARNJXXLBACFI-NRFANRHFSA-N 469.010 5.611 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729146885 ZZWXKCLDGCQGPI-CTNGQTDRSA-N 459.974 5.088 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCC2)C1=O 730459010 DULGBVOPCICBKD-LJQANCHMSA-N 461.946 5.001 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1 730485152 VZLSFUYNODKFLE-UHFFFAOYSA-N 453.514 5.239 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1cccc(NC(=O)c2ccccc2Cl)c1 730566247 DFLIFRWENDXKQL-UHFFFAOYSA-N 492.004 5.551 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccc(Br)cc1 730584616 WVPROYARHAJIKR-UHFFFAOYSA-N 458.168 5.097 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1F 730688534 YIOPAWUFTWPROU-ZDUSSCGKSA-N 466.296 5.441 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1 730944500 XHNZPDKYJPVJCR-JTSKRJEESA-N 479.005 5.134 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 730944778 ZWUACKVXYOTSAX-AVRWGWEMSA-N 498.583 6.095 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(F)c2)cc1F 731309798 WYUYEMVTVVBWTP-QFIPXVFZSA-N 499.514 5.278 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CNC2(c3cccc(Br)c3)CCOCC2)c1=S 742549532 APZROCGPUZVONP-UHFFFAOYSA-N 499.478 5.206 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2s1 744935701 FAOOGDRCOWLHEE-ZDUSSCGKSA-N 467.403 5.472 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 745313912 ZSWQEVGDPZFIKX-KBXCAEBGSA-N 460.477 5.480 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2ccc(OCc3cccs3)cc2)CC1 746470117 RNKZLBIRXDXYTN-UHFFFAOYSA-N 489.553 5.407 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCOC2CCCC2)cc1 747044240 QAHOFVQBJVHOIX-HSZRJFAPSA-N 499.608 5.144 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747112116 QMBBMOWOWKQTHD-INIZCTEOSA-N 474.369 5.406 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2nccs2)C1=O)Nc1ccccc1 747603895 VXTBISSPQHEYSP-JOCHJYFZSA-N 486.622 5.499 30 20 JKED CCOc1cc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)cc(Br)c1OC(F)F 750907713 ATGLANUDMFEHEI-BQYQJAHWSA-N 457.315 5.740 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 787834738 SWHCWOFRCZDWRP-JOCHJYFZSA-N 454.646 5.624 30 20 JKED C=CCOc1c(Br)cc(C=Nn2c(S)nnc2SCc2ccccc2)cc1OC 812442886 JQNWUPMSCTXTRG-UHFFFAOYSA-N 491.436 5.077 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 837518948 HAXQIYDBROEKLH-JTSKRJEESA-N 465.550 5.400 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837744995 OUMBBPRBSIVBBV-WAIKUNEKSA-N 490.560 5.145 30 20 JKED COC1CCN(c2ccc(NC(=O)C(F)(F)c3c(F)cccc3F)cc2C(F)(F)F)CC1 857446413 AUXLCVCAKOZKOF-UHFFFAOYSA-N 464.381 5.329 30 20 JKED CCOC(=O)Nc1ccc(NCc2cc(Br)c([C@@H](C)OCOC)cc2F)cc1C#N 864039040 KCVAQPQEHHUFIU-CYBMUJFWSA-N 480.334 5.322 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 915086720 WEPFBCJQADJKAG-MHZLTWQESA-N 455.517 6.916 30 20 JKED COc1ccc2c(C)c(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c(=O)oc2c1 915100307 OYDIGBIIXSVIPB-OAQYLSRUSA-N 458.539 5.351 30 20 JKED N#C[C@@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2ccc(Cl)cc2)cs1 915101548 IHYRRCYJPWFKIG-LIRRHRJNSA-N 474.394 5.796 30 20 JKED CCN1C/C(=C/c2csc(-c3ccccn3)n2)C(=O)/C(=C\c2csc(-c3ccccn3)n2)C1 915982528 HWGOFSROBGSGEN-WHYMJUELSA-N 471.611 5.095 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 916057101 KYACAKJCWBJGPH-QFIPXVFZSA-N 499.995 5.416 30 20 JKED Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 916098971 FANBJHMRNVJKTI-UHFFFAOYSA-N 487.553 5.429 30 20 JKED N#CCCCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 916622203 YYPZZRUFRJWBGI-UHFFFAOYSA-N 461.374 5.239 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847689 TYLHPUAVCYPDFR-OAHLLOKOSA-N 488.432 5.148 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)Nc1ccc(Cl)cc1 916884180 ZMOWEJHFOLDWTO-QGZVFWFLSA-N 474.767 5.116 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 916909602 PWKOHPFMYOAWIJ-JOCHJYFZSA-N 465.509 5.723 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916916972 CPLQXVVRKYJYSK-KRWDZBQOSA-N 450.338 5.839 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(CSc2ccc(C)cc2C)c1 916926380 YUZNWXGVOPISQX-QFIPXVFZSA-N 458.583 5.956 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916944620 JHJAZRGUCLVDPO-FQEVSTJZSA-N 467.312 5.599 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 916955966 WEXPFEXUAMVLIE-VFNWGFHPSA-N 451.979 5.867 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976582 SOXNMMZNHHTZJY-KBXCAEBGSA-N 456.354 5.346 30 20 JKED N#C[C@@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 916977238 NNCHXPRJDIHCGM-AWEZNQCLSA-N 474.945 6.004 30 20 JKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 917044949 WAGROLJSOCXOPC-MRXNPFEDSA-N 473.501 6.080 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917047209 UATFCSSARPCWQB-SFHVURJKSA-N 451.935 5.553 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc2c(c1)CCC2)[n+]1ccc(Cc2ccccc2)cc1 917612142 JKJGAQDBIRZFDT-UHFFFAOYSA-O 488.636 6.249 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@H]3CC(=O)N(c4ccc5ccccc5c4)C3=O)c2)cc1 917633090 HNHDORLQQVSPQP-MHZLTWQESA-N 461.521 5.229 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 917751979 PXKOGSYLSNLPEE-MRXNPFEDSA-N 474.417 5.075 30 20 JKED N#CC(CCOC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F)(c1ccccc1)c1ccccc1 919122411 AXPOPPYKWMIDCD-UHFFFAOYSA-N 476.458 5.343 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2sccc2Br)n(C2CCCCC2)c1C 919344014 WIILAAUIJDYIRK-UHFFFAOYSA-N 464.385 5.101 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 920106370 XWQJLGLACHZEEQ-OAQYLSRUSA-N 490.346 6.241 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1nc(-c2ccccc2)cs1 920113170 BLFPCYNWRKPOMN-KSSFIOAISA-N 456.354 5.346 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C[C@H]1CCCO[C@H]1c1ccccc1 920354767 FWOQAAOBUBBSRC-QQSVUBKYSA-N 491.657 5.017 30 20 JKED Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cc1C 920782989 IRGSNIUJTHCYIP-CZSVHLHGSA-N 482.650 5.265 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)C[C@H](C)C3)n1 921249904 LTNOVJHGLSBHIM-BKBFTRJOSA-N 497.576 5.749 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2ccc(Oc3cc(F)cc(F)c3)cc2)c1 921258291 DCCBFFWFWUQXHT-UHFFFAOYSA-N 468.485 5.107 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 925313509 WAGKANPBQWNQFY-OAHLLOKOSA-N 471.941 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(F)c(Cl)c2)C1 1781118813 HXAWXUCJJOFLNH-WSCWJOSJSA-N 483.411 5.028 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785807982 ACPOSXLWJRLTHE-RJADORODSA-N 493.648 5.026 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CNc4ccccc4O3)CCC2)cc1 1786103004 HILFPWLFRZOFFX-QHCPKHFHSA-N 459.590 5.152 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1 1788649455 IUQQNEGPQMXQFY-OUKQBFOZSA-N 470.550 5.681 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCCn3ccnc3C)CCC2)cc1)c1ccccc1 1789600441 LTKNJMWWNSUXGG-HHHXNRCGSA-N 482.628 5.303 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5cc[nH]c5c4)CCC3)cc2)c(C#N)c1 1790473061 OTKSZSGCXGBVIS-UHFFFAOYSA-N 478.552 5.039 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccnc3)CCC2)cc1)c1ccc(O)cc1 1791646418 NMCMGWFUVRZMDI-XTXDOFFSSA-N 479.580 5.132 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)cc2)CCC1 1792203853 CQIKCRDKXFYHBP-UHFFFAOYSA-N 469.626 5.009 30 20 JKED CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)CC1 1792204450 XNMBDRAOGFDPFP-XYWHTSSQSA-N 496.652 5.144 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cc(F)cc(F)c1)C2 1798331512 PITBMPHXUAMLCW-KAOXLYBCSA-N 465.544 5.047 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)c(Cl)c3)CC1)C2 1798337076 CTJFJUTUTGQEHP-YRPNKDGESA-N 461.433 5.432 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C2CCC(F)(F)CC2)[C@@H]1c1cccnc1)c1ccccc1 1803327339 MCMRGPIFTXNJOZ-GSDHBNRESA-N 493.598 5.110 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCCC2(F)F)[C@H]1c1cccnc1)c1ccccc1 1803731697 ACHOTZWXUIZMMJ-XDZVQPMWSA-N 493.598 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1804846286 PDTACLXSEZBDQC-SQHAQQRYSA-N 484.644 5.697 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1805698604 QDFFKOLEOXZQNI-PZJWPPBQSA-N 475.511 5.090 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1807202156 ZGUQVKAPBWBBIG-LADGPHEKSA-N 496.449 5.241 30 20 JKED CC(C)c1csc(C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)n1 1807356128 BTVMJDCLRXYQMO-UHFFFAOYSA-N 473.759 5.162 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2C(C)(C)C)[C@@H]1c1cccnc1 1807777538 QVNURXWFUDHLTN-GGAORHGYSA-N 462.638 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1809188387 DOVFJEIBYSEBBQ-NBGIEHNGSA-N 477.008 5.304 30 20 JKED Cc1cc2cccc(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)c2[nH]1 1809269377 BIBDZLCDFPUSTE-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1810173128 SXVKJLNBEGWQOA-GLDPYIMESA-N 495.048 5.433 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1810173158 FTHVKYWNMDXSKE-BKULYWANSA-N 496.449 5.241 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2F)[C@@H]1c1cccnc1 1810501701 CLBPMODILOQASE-HYBUGGRVSA-N 462.569 5.014 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811433825 ITAGOVSCCVWKGW-UWJYYQICSA-N 473.907 5.012 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)[C@@H]2c2cccnc2)c1 1811943809 GZJHLJJTSCMYMA-LYPIBBCQSA-N 472.633 5.044 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812303334 XZIYGXOPEDCICC-IDISGSTGSA-N 465.553 5.104 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1812590489 PHJZRVBKPNSFQI-VBANMALSSA-N 469.585 5.406 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1812809066 LJSXPUQNBJPPSK-NVQXNPDNSA-N 495.067 5.923 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814377234 GMYQTQQPCFJLCD-ZGSOLVRCSA-N 473.602 5.071 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)oc2ccccc12 1814379725 PDIYQHOTGNTFDC-HSZRJFAPSA-N 481.556 5.275 30 20 JKED CCCC[C@H](CC)COC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC#N)n[nH]2)cc1 1816746484 HHICOAOCWPAPHJ-CVDCTZTESA-N 493.608 5.002 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606760 DXXDTTBMRBXGOJ-YOEHRIQHSA-N 488.013 5.385 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1819307029 MLOYAHDQRGKQIX-AVRDEDQJSA-N 499.537 5.984 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1 1820486053 SQINMMPXNVEUMU-HSZRJFAPSA-N 471.561 5.078 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821278445 QFOKDKNVMCHUNB-OAQYLSRUSA-N 498.370 5.216 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccccc3)[nH]n2)c(Cl)c1 1821279809 IWEWXJFXUUSLAW-VIZSFHNOSA-N 473.964 5.044 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)[nH]n2)c1 1821322093 GEUSZDLAPDAFLD-QFIPXVFZSA-N 495.505 5.157 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)c1 1821503412 DREKGIHKNQAKAZ-QFIPXVFZSA-N 499.596 5.140 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1)C(F)(F)F 1821992292 XIYZFPNMHMDHOD-QGZVFWFLSA-N 493.873 5.143 30 20 JKED CSc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1822596886 DTYYDJIGEAJXGK-QFIPXVFZSA-N 494.020 5.205 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(N(C)C)cc3)[nH]n2)c1 1823215885 JGHXITCRZSKYTK-IBVKSMDESA-N 498.631 5.041 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823217748 XEWMNIYPSJXQPN-HHJKRLRDSA-N 487.579 5.361 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(NC(C)=O)ccc2Cl)n[nH]1 1823326839 DMIQPYXNQICONE-QFIPXVFZSA-N 484.000 5.096 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)C1 1823697960 YZQATUFLQLHFNX-DEOSSOPVSA-N 476.583 5.614 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(Br)s3)CC2)C1 1823704658 NSYMBXUOJKWRDB-IEJURRBGSA-N 477.468 5.110 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1823813303 VTVQQZDJAPWOCV-DBQZHCBRSA-N 481.596 5.180 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)CC2)cc1 1824000400 GGCHJMULDPVATF-NDEPHWFRSA-N 483.656 5.498 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1824500230 GFTKEPNBFVOPRK-AREMUKBSSA-N 493.623 5.104 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c(F)ccc(F)c2F)CC1 1824791798 CUGDZYVNRNENBR-QHCPKHFHSA-N 462.556 5.035 30 20 JKED C=CCCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c(O)n1 1825625431 HNHTUMSEXUNHLY-DEOSSOPVSA-N 487.600 5.199 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)CC2)c1 1827762488 SDBFKJYUDPZBMT-NDEPHWFRSA-N 478.596 5.167 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cc(C)[nH]c34)CC2)c1 1828214330 JIXHMGLJESIBAF-AREMUKBSSA-N 468.601 5.204 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2F)CC1 1828453277 FICYAAAMQJTDSK-VWLOTQADSA-N 472.645 5.379 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828515862 YOMIWECMGRWIAT-CPJSRVTESA-N 469.576 5.448 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828677449 NJCOBNDJCGXGTM-QFIPXVFZSA-N 453.652 5.522 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2SCC)CC1 1828827850 XKIALLNVVLRBBE-VXKWHMMOSA-N 455.668 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 1829068685 KKMBOKKRVJAYDP-OAQYLSRUSA-N 491.470 5.380 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)c1Cl 1829687785 HBIPCARGSRRVBV-VWNXMTODSA-N 467.972 5.156 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)cc12 1829690167 ODDXFBMPUONEIG-VWLOTQADSA-N 489.019 5.549 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1830415732 ZYQKTGOGBOWUAA-YOEHRIQHSA-N 474.454 5.089 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830627546 ZPKDKKTUOAGCHJ-IZLXSDGUSA-N 471.645 5.426 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564035 GFLJDUQGWZEDIS-NHCUHLMSSA-N 481.464 5.108 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564038 GFLJDUQGWZEDIS-RTWAWAEBSA-N 481.464 5.108 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1832634611 XTXHDJVMWPNMGS-GAJHUEQPSA-N 499.442 5.563 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCCC2)CC1)NC(=O)OC(C)(C)C 1832753749 KHAGOMJWRLSEDA-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1832828809 DQZKFJPXMCDQCO-HSZRJFAPSA-N 467.009 5.149 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1833076780 HETUXCRJPRCUGH-HOFKKMOUSA-N 481.725 5.380 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 1833079627 NLSMUZCPIVHVMS-UHFFFAOYSA-N 486.509 5.233 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)CC1 1838289374 JDABSGRYJVDCLT-DRZCSJLFSA-N 470.698 5.360 30 20 JKED C[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1)c1ccccc1 1838762623 NEJIDDLTEVZLNK-GOTSBHOMSA-N 487.644 5.120 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)C1 1845495154 AAHSKSBHDJZFDS-HXUWFJFHSA-N 483.653 5.082 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(OCCCC(F)(F)F)cc2)C3)c1 1846830793 YLZASKLUYQRGNX-IBGZPJMESA-N 499.533 5.166 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1 9072908 GRTMYAYPBALXMP-UHFFFAOYSA-N 468.481 5.247 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1-c1ccccc1 9448475 HBLCGTPENXVBGL-CQSZACIVSA-N 477.640 6.011 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(F)cc2F)cc1 11248725 JPXOSQIRXZHWBI-UHFFFAOYSA-O 470.609 6.162 30 20 JKED Cc1oc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)c(C#N)c1C 11375578 QUKKHAKBKFMIAH-QGOAFFKASA-N 481.508 5.582 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)c1nc2c(s1)CCCC2 15968763 LMASBFWOGNINJD-UHFFFAOYSA-N 471.582 5.272 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)cc12 20993045 AZLBIVGNHQQBHD-AWEZNQCLSA-N 464.934 5.105 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 22415598 VPPXXOMZLLHTDE-UHFFFAOYSA-N 459.578 6.219 30 20 JKED CCOc1ccc(-n2c(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2ccncc2)cc1 23244110 DQZZIUUAONDHQI-FQEVSTJZSA-N 498.612 5.155 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 28793843 MGWAQJWVAJWJPR-UHFFFAOYSA-O 497.084 6.395 30 20 JKED C=CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1[C@@H]1COc2ccccc2O1 30922627 ZAPHGAAVHZVEMO-NRFANRHFSA-N 497.045 5.970 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 60351416 NPUOAXIRSLODET-UHFFFAOYSA-N 452.514 5.473 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1cc(Cl)ccc1Cl)[n+]1ccc(C(C)(C)C)cc1 71793483 NLRFJECGMQLVSA-UHFFFAOYSA-O 486.488 7.246 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)o1 108136165 UANKUJROALWJLI-UHFFFAOYSA-N 461.493 5.640 30 20 JKED Cc1cc(NC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)n(CCC#N)n1 109346492 YNUUJQOSKWRNPI-UHFFFAOYSA-N 453.333 5.067 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1ccoc1C 109919504 AAMXPDGKLGJLKE-UHFFFAOYSA-N 479.587 5.077 30 20 JKED Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 116557138 FOXCBIUGCUXVNJ-UHFFFAOYSA-N 473.623 5.459 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 195687776 LQOWVVOOXFAKPR-JOCHJYFZSA-N 494.016 5.347 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](c3ccc(Br)cc3)C3CCC3)CC2)c1 409529526 UCMLCQSPUPOVES-HSZRJFAPSA-N 495.421 5.222 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 479081392 YVJLLNKSCCZNSW-UHFFFAOYSA-N 469.541 6.107 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(OCc4ccccc4)CC3)cc2F)c1 481592750 DFHHRCBABAUHBD-UHFFFAOYSA-N 459.521 5.489 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 481746949 VWHFAOIXGVVDHL-HSZRJFAPSA-N 483.337 5.143 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3occc32)c1 493307068 VFZPMZVGLWWLHM-NRFANRHFSA-N 470.978 5.122 30 20 JKED CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 505719487 LWYCCQLULDNUBI-XMMPIXPASA-N 474.992 5.847 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C(C)(C)C)nn2C)nc2scc(-c3cccs3)c2c1=O 505903860 WUFVXJADLAVNGV-UHFFFAOYSA-N 499.687 5.134 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)c2cccs2)cc1 506579488 PLDWWUSMIDDNKA-DEOSSOPVSA-N 461.587 5.204 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 507160122 ZNUXTUWFYYNLAN-UHFFFAOYSA-N 457.530 5.617 30 20 JKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3OC(F)F)cc2Cl)cc1 509538080 GDWTWSJZJHGLEF-UHFFFAOYSA-N 450.850 5.406 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 510266015 IDUIOEKNEQPYRQ-UHFFFAOYSA-N 492.560 6.593 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccnc(N3CCCCC3)c2)cc1 511341731 OTXXWYMNMNYSMU-UHFFFAOYSA-N 455.562 5.039 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2OCCc2ccccc2)CC1 512513485 HRXLMPMCXAFAOY-UHFFFAOYSA-N 482.540 5.283 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 512849755 GKULRWSKAQPGJY-UHFFFAOYSA-N 464.319 5.224 30 20 JKED C=CCn1c(SC[C@H](O)COc2c(Cl)cccc2Cl)nnc1-c1ccccc1F 515320997 OSXIXTNSSBVVDH-CYBMUJFWSA-N 454.354 5.109 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1 516322610 PJGYQZIUTHQLES-DEOSSOPVSA-N 477.358 5.113 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1 516733804 VXNRMFYPGCIALX-HXUWFJFHSA-N 453.420 5.099 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 518208637 GNXYSRCFUSRGDM-NRFANRHFSA-N 453.995 5.597 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3nc4cc(Cl)ccc4s3)cc2Cl)cc1 518871793 NJUQUGAQLJRBGZ-UHFFFAOYSA-N 497.363 5.522 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 519515354 DUWXDOFSOODJPN-CYBMUJFWSA-N 462.427 6.692 30 20 JKED CCC(CC)CN(CCC#N)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 520561485 CKVFMZPXIFFNQO-UHFFFAOYSA-N 465.978 5.072 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 520601333 NXIVZKJNRHZGNJ-LJQANCHMSA-N 492.601 5.264 30 20 JKED Cc1nc(SCC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C#N)c(C)c1C 520928325 SCCNIWNRVFWDCK-UHFFFAOYSA-N 477.461 5.058 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)n2)cc1 523378454 PAWYWDOCZXJJTK-UHFFFAOYSA-N 450.608 5.266 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nncn3-c3cccc(Cl)c3)c2C#N)C1 589942133 MBXWIMBQRDFTGF-ZDUSSCGKSA-N 458.012 5.100 30 20 JKED C=CCN(C(=O)c1cncc(-c2cnn(C)c2)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 595176664 GRKHQMFPIZZKLE-UHFFFAOYSA-N 477.593 6.105 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)s2)cc1 603449301 RDRPRPHZERRXEV-QFIPXVFZSA-N 499.621 5.202 30 20 JKED CCN(C(=O)c1cncc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c1)[C@H](C)c1ccc(C#N)cc1 603737351 BXGQOLXOHAZFBV-NHCUHLMSSA-N 479.584 5.272 30 20 JKED CSc1ccc(Cl)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 603756866 DYYXHSWHQLFKTA-UHFFFAOYSA-N 467.925 6.252 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 603759200 XLWCWOOYTUWWRN-LJQANCHMSA-N 464.015 6.670 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)s2)cc1 603941605 UYPAQKWYMYSTFD-UHFFFAOYSA-N 477.596 5.268 30 20 JKED CCn1ncc2c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc(-c3ccccc3)nc21 604003611 HAWZNVJYGPYNOF-UHFFFAOYSA-N 487.563 6.016 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)[C@@H](C)c1ccc(C#N)cc1 604343126 SBVADHZSHVSUCP-HNNXBMFYSA-N 474.007 5.297 30 20 JKED C[C@@H]1CCc2c(sc3nc(SC[C@H](C#N)CCC#N)n(-c4ccccc4F)c(=O)c23)C1 608854578 OBRRVADOPVXZEH-CABCVRRESA-N 452.580 5.247 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(CN(C)Cc3ccccc3)CC2)cc1 608995931 MRIKOQYFPKWGHV-UHFFFAOYSA-N 484.600 5.735 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)n1 609061192 LQLUCDBETALOKI-UHFFFAOYSA-N 470.554 5.682 30 20 JKED Cc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1-c1ccc(F)cc1F 609172789 CGXYIIVPURIQMV-XMMPIXPASA-N 458.468 5.033 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc(C)nc21 609174640 QYXYAFHSXRSXKN-UQBPGWFLSA-N 453.546 5.284 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)c2)cc1 609175974 SNXUCYXRNIADPQ-UHFFFAOYSA-N 481.483 5.759 30 20 JKED N#CCn1c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc2ccccc21 609215550 CGSCKXUERZWXGL-UHFFFAOYSA-N 452.392 5.281 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609438896 ZNWXCJXHZKZJCI-UUOWRZLLSA-N 491.588 5.267 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCC(=O)N1CCCC1)c1nc2cc(Cl)ccc2s1 613407141 JTNUIWITFGDPRJ-INIZCTEOSA-N 455.992 5.154 30 20 JKED C=CCOc1ccc(C(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1OC 613939189 LAQMSLTZPHXQCP-SFHVURJKSA-N 462.521 5.071 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(F)cc1OC1CCOCC1 622594963 FYSCRLYEIFMODG-UHFFFAOYSA-N 481.364 5.439 30 20 JKED O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622599144 XSRCYZCYXRPFHR-UHFFFAOYSA-N 454.317 5.091 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)c2ccccc2F)c1 642033961 NIKFPOLIAYUXPO-UHFFFAOYSA-N 472.969 5.527 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1cscn1 642281205 OGZASKUEJFMLGT-IBGZPJMESA-N 461.568 5.653 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2sccc2C)C1=O 726422461 WDUIRGVIHJNELC-WOGRXNETSA-N 499.683 5.717 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 727995724 BRVVPJVPPHMDMH-UHFFFAOYSA-N 460.446 5.131 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728118396 XFLDFYXCRNUWSC-GOSISDBHSA-N 478.408 6.491 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)COc2cccc(NC(=O)c3ccco3)c2)c1 728181897 ISCACZRJKUUOAY-UHFFFAOYSA-N 456.523 5.187 30 20 JKED N#Cc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c2ccc(Br)cc2c1=O 728704719 JGIAGZPPKJZELS-UHFFFAOYSA-N 485.552 5.235 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 729375618 NIMHKDJPRKGXES-UHFFFAOYSA-N 483.977 5.285 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 729552837 MSIAKBDPRPYWPM-AYRHNUGRSA-N 488.632 5.985 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc(NC(C)=O)c1 729633854 GWIUEGVOUIWWJY-HSZRJFAPSA-N 496.633 5.050 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1 729889242 LYRMXYLUXXUYMZ-WOJBJXKFSA-N 455.942 5.034 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c1 730445064 TUJRVEKLIZDXOQ-HSZRJFAPSA-N 494.592 5.250 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1 730461648 QTTOFCKHPAOIHY-LJQANCHMSA-N 461.509 5.527 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2cocn2)C1=O 730714053 WTVHLJYCSFBRRX-OAQYLSRUSA-N 498.992 5.114 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@@H](C)c2cccnc2)c1 730944819 GLPSPDHUBVRBRE-MHECFPHRSA-N 488.613 5.374 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944956 JDEOSYASAANTBS-YADARESESA-N 472.614 5.043 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCCC[C@H]3c3cc4ccccc4[nH]3)nc12 731027042 RJJLXDDVQBLUEX-QHCPKHFHSA-N 470.602 5.032 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 731064235 UXUIWGHYSRDCTJ-QGZVFWFLSA-N 487.606 6.153 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 731080153 IWCWEPRPZBSJND-FVQBIDKESA-N 463.386 5.531 30 20 JKED CN(Cc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)OC(C)(C)C 742521578 MQFJYHFMYKFZKI-UHFFFAOYSA-N 461.518 5.349 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1 744766369 OXTGQIPDPVVJSB-UHFFFAOYSA-N 478.597 5.401 30 20 JKED COC(=O)COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 745020774 PHSSAOXUNBABLU-XGICHPGQSA-N 484.335 5.694 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cc(Cl)cc(Cl)c1 745990413 DLGBZHLHPKPUJF-GOSISDBHSA-N 466.390 5.372 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cc3ccccc3[nH]2)C1=O)NC1CC1 746697353 CERVSQIDFNQSGQ-FQEVSTJZSA-N 487.412 5.275 30 20 JKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)Nc1ccccc1Oc1ccccc1 747112453 XUJIKXBADRZNMM-IBGZPJMESA-N 489.578 5.776 30 20 JKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1OCCCC#N 747357170 LGHAFVICFYLOLI-UHFFFAOYSA-N 492.988 5.660 30 20 JKED CC[C@@H](C)Oc1cc(C=Nn2c(S)nnc2-c2cccc(Br)c2)ccc1OC 749444826 XHNLKIJBYLQOBB-CYBMUJFWSA-N 461.385 5.064 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c(C)c1 799214366 KOUQZNJFNADCHX-IBGZPJMESA-N 463.525 5.443 30 20 JKED CCOc1ccc([C@H](CNC(=O)/C=C/c2ccccc2C#N)c2c[nH]c3ccccc23)cc1OC 799834597 GQFIGLZBALCNII-RQOTYCFOSA-N 465.553 5.408 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1C 837402694 SYEBYVSRHVYQEC-FDDCHVKYSA-N 476.577 5.559 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 837428282 WNHRPMBXXXUIOF-JPYJTQIMSA-N 476.577 5.559 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccs2)C1=O)Nc1ccccc1 837741834 ROQDJJBJQXYGLB-FQEVSTJZSA-N 453.564 5.090 30 20 JKED N#Cc1cc(Br)ccc1N1CC(c2nc(-c3ccc(C(F)(F)F)s3)no2)C1 904967608 LYXCUOKBYIAXSW-UHFFFAOYSA-N 455.259 5.055 30 20 JKED CC(=O)N(c1nc(C=NNc2ccc(Br)cc2)cs1)c1ccc(F)cc1F 912828104 NWJABPVSRFJTTA-UHFFFAOYSA-N 451.296 5.314 30 20 JKED CCCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)nc21 913235529 ZMWRKYYZEXYADS-SFHVURJKSA-N 458.591 5.125 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 914543238 HACDBGZSHLTYTR-FQEVSTJZSA-N 498.967 5.043 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)Cc2cccs2)C1=O 914694215 FAKDVHHNWACMSC-ZHRRBRCNSA-N 497.617 5.487 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(C[C@H]3CCCO3)C2=O)cc1 916206671 RJBJYEKQFHOXRH-DNQXCXABSA-N 493.629 5.152 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916209980 XGEDIBWCKMTSOQ-KRWDZBQOSA-N 479.345 5.024 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CCC(C)C)C1=O 916210469 GCMQIXWCLIYFBK-HXUWFJFHSA-N 491.560 5.303 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(C[C@H]3CCCO3)C2=O)c1 916217162 GUMZGDWXBJVPCO-IRLDBZIGSA-N 465.619 5.060 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1F 916217810 WZGYOYVCOCUXGN-MBSDFSHPSA-N 495.551 5.257 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 916283576 INVZHLNNHJBRDE-UHFFFAOYSA-N 494.294 5.179 30 20 JKED COc1cccc(-c2nc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)cs2)c1 916333444 LTELVDGGUASKHF-UHFFFAOYSA-N 462.387 5.555 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 916899284 JCMDQBQFWUVUOL-AAEUAGOBSA-N 455.725 5.079 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906088 BOMPZTWBCWWICS-DEOSSOPVSA-N 498.970 5.825 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996079 JXDCCRLCSZAFEB-LSDHHAIUSA-N 460.317 5.558 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)[C@@H]1c1ccc(OC)cc1 917039751 CPBRTXUUZNEQCN-ROKPMTFOSA-N 494.542 5.396 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 917119494 ILJTXYVKUAVRJQ-HSZRJFAPSA-N 469.541 6.356 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)N[C@@H](C)c1ccccc1 917610300 PYSPHMBMSMKWOA-FQEVSTJZSA-O 474.650 5.505 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc3ccccc3o2)cc1 917612566 ZCWNOOAHBAZJPT-UHFFFAOYSA-O 468.602 6.819 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H]3CCN4CCC[C@H]4C3)C2=O)c1 917678592 ZRWOBDPWKRWHFN-FIXSFTCYSA-N 494.636 5.030 30 20 JKED COCCCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 919357068 ASCLUYRUHZFTHV-CSKARUKUSA-N 468.575 5.208 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1c(C(C)C)cccc1C(C)C 920358784 BFVFAUOZYXUSRB-QFIPXVFZSA-N 482.650 5.339 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1C 920893158 TYUXLTDTTUDJEQ-GOSISDBHSA-N 464.953 5.226 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1786102876 CPCLUEYKUNLTNO-UHFFFAOYSA-N 494.595 6.339 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CNc4ccccc43)cc2)CCC1)c1ccc(O)cc1 1788048465 JAIIARGYKYRMHH-CUNXSJBXSA-N 493.607 5.233 30 20 JKED Cc1ccccc1NCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1788112470 WBFMKUJVEBKDLF-OAQYLSRUSA-N 466.585 5.482 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cn5c(Cl)cccc5n4)cc3)CCC2)cc1 1788939906 ONCIBYCRSIDXFI-UHFFFAOYSA-N 483.959 5.115 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC=C(C)C)cc2)CCC1 1790450079 BOUJGHWHGGLMLJ-JOCHJYFZSA-N 469.626 5.336 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)coc3C)CCC2)cc1 1790568677 XYYOUOFZNHHTKU-HNNXBMFYSA-N 465.472 5.155 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790959145 SIPLXVJXRPPNPJ-MRXNPFEDSA-N 466.969 5.370 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1791726223 IPFIHMYPAWIQMI-HSZRJFAPSA-N 481.637 5.008 30 20 JKED COc1cscc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168843 YVQPFXPDIAQKDU-UHFFFAOYSA-N 489.597 5.477 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1 1796897925 RBWMELREAVZWLN-CSLCPWPUSA-N 477.413 5.054 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cccc(F)c3s2)cc1C#N 1797449888 ZLRSAYZWDHDIPR-WKCHPHFGSA-N 491.588 5.265 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc4c(Cl)cccc4s3)[C@@H]2c2cccnc2)C1 1802413883 KWJVKAKHLPARQT-UZUQRXQVSA-N 466.006 5.236 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)Cc2ccccc2)[C@H]1c1cccnc1 1803021659 IVRTVLLEOORQRU-TWJOJJKGSA-N 459.634 5.125 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)COc3cccc(Cl)c3)C2)CC1 1805209031 JHXJPYJJCGLCJZ-UHFFFAOYSA-N 489.132 5.001 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@H]1c1cccnc1 1805678403 FDSFXBZZVVYDKJ-YWEHKCAJSA-N 498.627 5.105 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CC2)C1 1806028204 YVTJNUNMHIHESR-QFQXNSOFSA-N 496.598 5.321 30 20 JKED O=C(Cc1ccc(F)c(C(F)(F)F)c1)N1CCC2(CCCN(C(=O)CCCC(F)(F)F)C2)CC1 1806541809 HOMJEFFCAVWCTQ-UHFFFAOYSA-N 496.467 5.351 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)Cc3cccc(CCCCC)c3)[C@H]2c2cccnc2)C1 1807468215 RZYBUJQQCCCYIU-LBNVMWSVSA-N 459.634 5.029 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1c1cccnc1 1809143896 UBMFCJOFQUILQM-PXDATVDWSA-N 458.606 5.183 30 20 JKED C=CCOCCCC(=O)N1CCC2(CCCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)C2)CC1 1809154110 OENHOCSTKIBMSX-JYFHCDHNSA-N 454.655 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CC[C@H]4CNc5ccccc5C4)C3)CC2)c1 1809843817 KSUWBUFKCUMJDP-DNQXCXABSA-N 498.671 5.223 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ncsc23)[C@H]1c1cccnc1 1809964135 TYGIFWUOIAUMIH-DENIHFKCSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810175684 XKTNBAFFXMLLDE-YZZKKUAISA-N 473.951 5.101 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)C2)CC1 1810303852 SERNAUDOZCHFFC-OAQYLSRUSA-N 496.648 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(SC)cc2)[C@@H]1c1cccnc1 1810501902 DLNPBVYFLOGTGZ-RCZVLFRGSA-N 465.663 5.044 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3occc3n2-c2ccccc2)[C@H]1c1cccnc1 1811278595 WVQJUQKAIBFITE-RNWIMVQKSA-N 494.595 5.132 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c(Cl)c1 1811752334 ODNOVZGGBMRQNE-GAJHUEQPSA-N 497.357 5.033 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1812755861 SVIRUJIMDAMWEU-RQADYFSKSA-N 487.003 5.038 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2Br)[C@@H]1c1cccnc1 1813979952 GJARXSRRHXNMSE-WJPUGNRLSA-N 490.829 5.029 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814412866 GWCBURSNNFNJOR-IZLCOFNUSA-N 479.993 5.406 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)[nH]n1 1814442916 AQKPWBIMBMAANM-IBGZPJMESA-N 468.989 5.238 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)cc1 1814569535 DEUNHBAYYTWABY-QHCPKHFHSA-N 455.562 5.241 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)[nH]n1 1814828344 HODOJNHZEBQJFX-HXUWFJFHSA-N 481.000 5.094 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)[nH]n1 1814828446 MSRFFTQURJGLSS-AREMUKBSSA-N 497.599 5.359 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3cc(OC)ccc23)n[nH]1 1814914469 KVNCOJZQVDEEHJ-QHCPKHFHSA-N 477.609 5.127 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c[nH]1 1816110495 OTNLLFGLGDEWRC-NRFANRHFSA-N 481.717 5.392 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817772512 XHGDHOIOEZAECF-DEOSSOPVSA-N 492.583 5.481 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccn3c2)n[nH]1 1817820611 WHGHDXWBXUWOKC-HXUWFJFHSA-N 481.698 5.081 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1818116083 ZTUVVZLMEHJLRN-OTOIZHKDSA-N 498.608 5.298 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)n[nH]2)ccc1F 1818932036 ZHJHNPHOABHHKH-KUQPJALBSA-N 491.611 5.262 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(Br)c3[nH]2)n[nH]1 1819131251 UKPSKGHAFCJAEV-IFXJQAMLSA-N 484.398 5.172 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N3CCCC3)c(F)c2)n[nH]1 1820189676 CXIXTTGNDFZOPP-XMMPIXPASA-N 479.600 5.223 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c1 1820905302 OTLWDMNQIIEXCH-SWDTZWKESA-N 459.594 5.043 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)n[nH]1 1820952911 ZYVBLMPXHZXQJI-AZUAARDMSA-N 489.661 5.088 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cc(Br)ccc3c2)n[nH]1 1821479299 CPCDWPNKUJNTCS-QVKFZJNVSA-N 496.409 5.239 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(Br)c2F)[nH]n1 1821917565 WZVPVBMFLHGBTP-HNAYVOBHSA-N 491.405 5.148 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(O)cc1 1822468362 PDBUIHHMWXTOOV-NQIIRXRSSA-N 490.526 5.037 30 20 JKED Cc1cccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1823126863 ZMWKAZXVUAVACP-VGSWGCGISA-N 459.525 5.104 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823215115 MSHWRAPXKITYHN-XGHQBKJUSA-N 493.658 5.585 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3cccc(F)c3)CC2)C1 1823700487 VWIOCFKATZYRGE-RUZDIDTESA-N 461.581 5.087 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1823752028 IYNKKKFQBYCEBS-VWLOTQADSA-N 465.638 5.402 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1823752303 BZYVAGNEAVZPRC-RUZDIDTESA-N 493.648 5.576 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1824054081 NZJUZRBHYOIEAI-VWLOTQADSA-N 497.561 5.443 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1824142234 JCOIJPZFIHZSRA-HSZRJFAPSA-N 451.636 5.298 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(N(C)C)cc2)CC1 1824144947 NVAJOOLLKKABLN-MHZLTWQESA-N 465.682 5.073 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)cc1 1824879594 FBNRLZIRNHDNDV-SANMLTNESA-N 496.026 5.146 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1826321320 QKNQGOKCIKTSDK-SANMLTNESA-N 481.596 5.779 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1826373384 DVQIDMWPVGIVLE-AREMUKBSSA-N 494.035 5.086 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828134049 UMRPPUNQLZLMKQ-HSZRJFAPSA-N 495.765 5.581 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1828821075 IJUZQUGGKRHEPX-HDJSHQJTSA-N 468.604 5.743 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1828822135 FOHNRHYAVQMEMI-URXFXBBRSA-N 493.475 5.760 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2F)CC1 1828829050 WVLMCLAOJHRCFY-AOYPEHQESA-N 470.629 5.155 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cc(Cl)ccn23)CC1 1829067876 ZBWVIPNZIGPXAK-NRFANRHFSA-N 471.045 5.213 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 1829069177 NOOIHDHUDCTSTP-RUZDIDTESA-N 462.638 5.098 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1 1829142851 ZUGGLUZRWFIPAS-JTSKRJEESA-N 486.538 5.208 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2C)CC1 1829695972 ILLNGCQMXAZLAX-NRFANRHFSA-N 497.474 5.049 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)cc1 1830016137 AZYTTWYTFLGRMX-AREMUKBSSA-N 487.003 5.307 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c(C)n1 1830724153 UHTVJFIKIWDDGN-AREMUKBSSA-N 493.051 5.090 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)cc(C(F)(F)F)c1 1830754815 AIXUZMSJEBITIC-QHCPKHFHSA-N 487.566 5.391 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3OC(F)(F)F)CC2)CCC1 1830805852 JJCIWVMXVKQWEB-LJQANCHMSA-N 497.945 5.166 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cccc(Br)c3n2)CC1 1830866257 AQLJRGLNENLGRL-HSZRJFAPSA-N 496.449 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 1831211783 LYSVLCAOEJLONX-UODIDJSMSA-N 486.100 5.331 30 20 JKED CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1831389144 IHCCKNNGZLESRE-NRFANRHFSA-N 463.544 5.247 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 1831716973 OXAMANDOQSGPFX-SDHSZQHLSA-N 499.493 5.366 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1832630053 XVVFDEJMGRECON-BCHFMIIMSA-N 496.026 5.582 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1832632396 OSWFDLVXPGQJCX-VGSWGCGISA-N 499.442 5.563 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2c1 1832632734 UWRJQVOYWNOUDK-WTYVLRPYSA-N 498.627 5.351 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1832633930 HILJKHZMSOEFRR-RLWLMLJZSA-N 486.660 5.553 30 20 JKED Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634645 YITHVKAKWXAKLJ-IBVKSMDESA-N 461.581 5.308 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)CC1 1832666266 YTBUCEXTCNOQET-OAQYLSRUSA-N 461.046 5.574 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C#N)CC1 1832933440 PWYFOXREYVYWOW-DEOSSOPVSA-N 489.701 5.230 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)Cc1ccc([C@@H](C)C(F)(F)F)cc1)C2 1844357344 BHRNKYMWOLFXIU-GOSISDBHSA-N 450.545 5.091 30 20 JKED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)c2c(Cl)cccc2Cl)C3)cc(C(F)(F)F)c1 1845513712 QTBWAVVKKZQEEF-UHFFFAOYSA-N 482.289 5.015 30 20 JKED C=C1CC(C(=O)N2CC3(CCCN3C(=O)c3ccccc3Oc3cccc4ccccc34)C2)C1 1845546397 JBEAXOVRAKGPGZ-UHFFFAOYSA-N 452.554 5.415 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(F)cc2C(F)(F)F)C1 1846885631 DQBAQIBDRSTAHL-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCNC(=O)CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1 8750795 MJWJLGDRNDADAL-XDHOZWIPSA-N 460.386 5.081 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccc(Cl)cc1Cl 9826187 ZYXHPVVIOQTTCJ-UHFFFAOYSA-N 473.307 5.586 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172493 MVLSAWVMORMROF-UHFFFAOYSA-O 465.642 6.871 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173180 YRVRTFREPJGUEO-UHFFFAOYSA-O 473.568 6.202 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)s1 10831896 WFZGLGWZKMMKPT-UHFFFAOYSA-O 498.480 6.984 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 11078039 NAKIATGULDBXQF-UHFFFAOYSA-O 460.406 5.903 30 20 JKED C[C@](C#N)(NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C1CC1 11219398 PFPXHNFBOKYXCT-XMMPIXPASA-N 450.995 5.152 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)cc1 11263751 VJDTTWSIKJQJPD-UHFFFAOYSA-O 465.589 6.305 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 16172287 IZCJXRHAQKQWTF-MUUNZHRXSA-N 496.586 5.324 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C/c2nc3ccccc3s2)n(C2CCCCC2)c1C 16254472 MXMWLGQIGMITKJ-OUKQBFOZSA-N 462.575 5.287 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 22680024 SWTIWJKBVCLGQH-CYBMUJFWSA-N 465.381 5.547 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc3c(c2)CCCC3)s1 22730315 HHHKMDNGYSTNGY-UHFFFAOYSA-O 473.590 5.875 30 20 JKED CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc2C)cc1 25837784 XDXMHSXWXDRIJT-UHFFFAOYSA-N 477.586 5.248 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)ccc1Cl 45645566 RMCXBWARJAZWOZ-UHFFFAOYSA-N 492.004 5.837 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 71938002 FSFNKCCNRXJRCD-UHFFFAOYSA-N 473.935 6.167 30 20 JKED C[C@@H](Cc1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)o1)c1ccccc1 105388696 WDPLDZXUBKZBOT-QFBILLFUSA-N 460.584 5.508 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)nnc1-c1ccccc1F 195569520 FLSCEVFZJHCGFS-UHFFFAOYSA-N 468.888 5.256 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 302925105 CFFWPTUVVBQLRK-UHFFFAOYSA-N 452.583 5.075 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3ccc(COc4ccc(C)cc4C)o3)nc2C)n[nH]c1=S 303039291 VUGDANINSUMXHC-UHFFFAOYSA-N 481.603 5.600 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 303246295 ASLDMKBETPBSFU-MRXNPFEDSA-N 476.652 6.341 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(NC(=O)c4ccncc4)cc3)c2)cc1 410110246 NQOUQORSQCPVJC-UHFFFAOYSA-N 491.551 5.301 30 20 JKED C[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)c(F)c1 498716345 FKEIYTMPKTWDAA-SFHVURJKSA-N 499.502 5.794 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)CC2)c1 502619794 WGXLEEGTQIHYFX-UHFFFAOYSA-N 488.975 5.673 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OCCOC)c(Cl)c1 502676151 ADEQZUPCUGXUPD-UHFFFAOYSA-N 471.754 5.487 30 20 JKED N#Cc1cc(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)ccc1OCC(F)(F)F 502947143 DJQZPFLSJIPIQT-UHFFFAOYSA-N 460.387 5.147 30 20 JKED COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 503718161 QHMTUSYIBBNDQQ-KOSHJBKYSA-N 468.557 5.249 30 20 JKED C=CCN(C(=O)c1ccc(F)c(NC(C)=O)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 506246434 ORWROVXXOIWOQQ-UHFFFAOYSA-N 471.557 6.407 30 20 JKED CC(C)(C)[C@H]1CCc2sc(-c3nnc(SC[C@@H](O)COc4ccc(CC#N)cc4)o3)cc2C1 508456800 FJVIBVGNAWTPMB-OALUTQOASA-N 483.659 5.547 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512171741 RPVZXWVSSOIQQM-QRWLVFNGSA-N 462.531 5.146 30 20 JKED CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 513677382 VQVINUWCSDUBGL-LJQANCHMSA-N 481.986 5.265 30 20 JKED COc1cc(-c2nnc(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)o2)cc(OC)c1OC 514650547 JJAFDKDZROHRGI-UHFFFAOYSA-N 490.541 5.070 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2csc3ccccc23)cc1Cl 515939332 ZRMCROARYGALCD-QFIPXVFZSA-N 473.985 5.508 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 516322920 HSRJKSRTESELCM-WXVAWEFUSA-N 485.609 5.187 30 20 JKED N#Cc1cc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)ccc1F 517464563 YOLAZHPALWGNAX-OAQYLSRUSA-N 474.294 5.182 30 20 JKED COc1ccc(Sc2ccc(NC(=O)c3cc(C#N)c(SC)nc3O)cc2Cl)cc1 519991401 IFGYJEHZRGOSRJ-UHFFFAOYSA-N 457.964 5.446 30 20 JKED COc1ccccc1C1(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1 523341196 OILCNGBXCCRMMK-UHFFFAOYSA-N 457.477 5.303 30 20 JKED COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 524004528 QOVRIZIOFFVXLH-QHCPKHFHSA-N 490.991 5.394 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1-c1ccncc1 591885487 VYGNPDTUILKVEW-QFIPXVFZSA-N 486.557 5.215 30 20 JKED C[C@H]1C[C@@H](C)CN(c2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)C1 602240343 LMEOHHYYRKICBK-CALCHBBNSA-N 499.040 5.048 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1 603574835 UYBNFQYIWNFXLT-UHFFFAOYSA-N 488.931 5.001 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 604131700 HNABCNVEWHLEIW-VFNWGFHPSA-N 485.893 5.830 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604155604 ASKRWGKUUOFWRY-FQEVSTJZSA-N 486.786 5.899 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604364088 DUBCPFBSXOTHBV-HUUCEWRRSA-N 457.374 5.945 30 20 JKED CCCOc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1Cl 604441658 RKKHJVBSRPZVJF-UHFFFAOYSA-N 479.989 5.984 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C 609062124 YXKOVXYXIKSEAV-UHFFFAOYSA-N 491.613 5.083 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Br)ccc1Cl 609062824 YZDNJHGVBMYOOF-UHFFFAOYSA-N 455.739 6.114 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCNC(=O)c3ccc(F)cc3F)cc2Cl)c1 609063214 QFXMFHNOWZBQJO-UHFFFAOYSA-N 483.902 5.218 30 20 JKED CCN(CC)CC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609081056 ZBOKRACQESPMSB-UHFFFAOYSA-N 455.002 5.376 30 20 JKED COc1ccc(CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2ccc(OC)cc2)cc1 609133540 FRLGWRXAUTZOAU-UHFFFAOYSA-N 475.614 5.157 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1Cl 609206166 BURYIMGVINCWAK-XMMPIXPASA-N 487.991 5.813 30 20 JKED Cn1ccnc1Sc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Cl 609378397 FXKIWGAUDJDPSS-UHFFFAOYSA-N 497.955 5.897 30 20 JKED Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2C)c1 609430400 VJMZWQGUSYGPOH-LJQANCHMSA-N 479.627 5.751 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 609437076 ONVTYEHULBFYBX-AUUYWEPGSA-N 477.417 6.023 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c(C)c2c1 611871807 FJUNSDNZZOKBAR-XMMPIXPASA-N 470.956 6.824 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c12 613404988 ZDIZCFDWXJSHFX-INIZCTEOSA-N 462.504 5.607 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(OC)cc1 618070793 YLADDBSVZFXZFW-IBGZPJMESA-N 488.617 5.062 30 20 JKED CCCOc1c(Br)cc(Br)cc1C=Nn1cnnc1-c1ccccc1 725856428 RJVPDZKYJHKCSH-UHFFFAOYSA-N 464.161 5.141 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 725996066 HEAUFVRDYYXGGT-UHFFFAOYSA-N 477.489 5.240 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726310046 YXELPZNUQSHBMQ-NDEPHWFRSA-N 459.549 5.606 30 20 JKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1-c1ccc(Br)cc1 726322338 VNSVJLJXCLTVJX-HNNXBMFYSA-N 474.717 5.208 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726420909 JXGPHNHQQQUNFO-HOCQLMGASA-N 483.615 5.330 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1 726942073 PZOUXXGCAJFNFF-UHFFFAOYSA-N 498.402 5.119 30 20 JKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)C1CCCC1 727233372 OMSMEANDLRUNLG-BLLLJJGKSA-N 450.391 5.378 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc(OCC#N)cc2)cc1 727650548 MCDPELSPXQOHMH-RUZDIDTESA-N 498.608 5.366 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)c(OC)c1 728012399 ZKQDDZLNVXBZGV-UHFFFAOYSA-N 478.511 5.075 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2Oc2cccnc2)n(C2CCCCC2)c1C 728099451 SVSOUDGLZYJOLG-UHFFFAOYSA-N 472.545 5.465 30 20 JKED Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cs2)cc1 728108959 JGLBMXPZGAVWFW-UHFFFAOYSA-N 487.537 5.033 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 728119811 SJURNTOHQKFBBN-IBGZPJMESA-N 470.529 5.285 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)c2)cc1 728670041 YCRDLYLJJACOJH-UHFFFAOYSA-N 497.532 5.460 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1nc2cc(Cl)ccc2s1 728765513 MGOIGYYTFVKIPM-CYBMUJFWSA-N 472.020 5.573 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)c1 728778172 QUIVJAJOXLFHDO-QFIPXVFZSA-N 493.589 5.174 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc(F)ccc2F)C1=O)Nc1ccccc1F 729634890 VYVXXUFTFYDYCE-OAQYLSRUSA-N 487.478 5.404 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(Cc2ccccc2)cc1 729668757 OYMHKTBPDSYOGD-UHFFFAOYSA-O 499.612 5.558 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1C 730459214 IKDZBWFBKVFGMI-HXUWFJFHSA-N 475.536 5.835 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)c1 730526004 CZXRYXARGBSLHN-QFIPXVFZSA-N 463.559 5.011 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730715265 CVLOKTJRNBXMNH-OAQYLSRUSA-N 498.992 5.196 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2ccccc2c1 730724532 NNKPLVDUMNBZSU-FQEVSTJZSA-N 487.610 5.160 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 731306558 ARGBAUNYXHVWLQ-SBUREZEXSA-N 474.586 5.071 30 20 JKED COc1cc(C)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1OC 731317602 BDBFCMZFERJMSY-JXMROGBWSA-N 456.951 5.703 30 20 JKED CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 731332169 FJJMZKFJGFKFAA-GOSISDBHSA-N 496.610 5.500 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Br)c2)N(CC(C)C)C1=O 732780260 QTJYMGYMIXADDV-LJQANCHMSA-N 490.423 5.074 30 20 JKED C#CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)C1CCCCC1 743690921 DLHQHWFXUSKSSG-UHFFFAOYSA-N 453.380 5.418 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(CN2CCCC2)n(-c2ccc(Cl)cc2)c1=S 745161796 DEKOULUFRKANAO-UHFFFAOYSA-N 479.053 5.170 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(Cl)cc1 746164853 CQHGMWCGDJFJHI-ZDUSSCGKSA-N 487.994 5.293 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 746697792 MEGAUXVAWZVBBE-FQEVSTJZSA-N 459.999 5.117 30 20 JKED C[C@H](C#N)CN(C)Cn1nc(-c2ccc(Br)cc2)n(CCc2ccccc2)c1=S 746707124 WMDVIJMAIZJWON-QGZVFWFLSA-N 470.440 5.135 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CSCc1ccc(Br)cc1F 748003894 LJMGFWAGNKEYGQ-CQSZACIVSA-N 499.789 5.139 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2C)cc(Br)c1OC(F)F 750930128 GRTMXSIJSAYDNS-UHFFFAOYSA-N 483.338 5.187 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC(F)(F)F)c1 799216507 YFELWLNMJDRXBR-OAHLLOKOSA-N 490.334 5.824 30 20 JKED CC(C)c1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)n1Cc1ccco1 807651214 VWYTZSRFYNDWPY-GOSISDBHSA-N 463.588 5.135 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccc2F)C1=O)Nc1ccccc1F 838545882 KLKLETFQEFSHCH-OAQYLSRUSA-N 487.478 5.404 30 20 JKED Cc1cc(Br)c(NC(=O)CON=Cc2ccc(Cl)cc2)c(Br)c1 854280780 CASLKAJBDFKQPR-UHFFFAOYSA-N 460.553 5.163 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3cccc(OCc4cccnc4)c3)no2)CC1 904502066 WWNADROREWSZFY-UHFFFAOYSA-N 494.511 5.214 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccco2)ccc1Cl 914495979 OVDDOAGISGRMGZ-MRXNPFEDSA-N 476.957 5.287 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2OC)cc1F 915111658 OEQBNMTYPBLPHH-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccccn1 916204575 AQVSHOZHCAKPSJ-OAQYLSRUSA-N 464.978 5.204 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 916708110 JVZKEWFKUDWGDK-WDYNHAJCSA-N 495.623 6.323 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(C)cc1Br 916902513 YYURIBYJUGLXHQ-LQYUOIDQSA-N 461.743 5.089 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916905058 LQJZNCSAGGSADJ-NRFANRHFSA-N 471.513 5.787 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916928366 JVWLVVXHTJLNGJ-KNQAVFIVSA-N 479.319 5.409 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 916932146 QYJUFFBMMNUCAC-HNNXBMFYSA-N 462.720 5.582 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 916949289 NLWUIJHMFQRZTC-HTAPYJJXSA-N 459.571 5.153 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1 916974146 FDYISFDYCVDALR-BDSXWPLHSA-N 475.658 5.652 30 20 JKED N#C[C@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)ccc2s1 917046913 NOPHOGMLUTUZOK-IFMALSPDSA-N 489.984 5.664 30 20 JKED CCCOc1c(Cl)cc(C=NOCc2cccc(C(=O)N3CCCCC3)c2)cc1OCC 917622604 AHPCLECFXNOBFY-UHFFFAOYSA-N 458.986 5.704 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917660753 LLGUGIVPCWMBBG-GVAUOCQISA-N 490.673 5.199 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)c1 917663842 ZCYBYYQFIZGDID-HXUWFJFHSA-N 469.563 5.056 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)s1 917664200 LDVGDEHYQIJVRM-HXUWFJFHSA-N 471.554 5.495 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)N(CCC#N)c3cccc(C)c3C)c3c(C)noc3n2)c(C)o1 919050738 QKUXZLXRSJANQA-UHFFFAOYSA-N 486.528 5.129 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 920109654 HYUNLLBCIVUZRO-VWLOTQADSA-N 493.563 5.918 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 920138127 AISORKPMZZFTEV-YLJYHZDGSA-N 499.514 5.062 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)O[C@H](C)C2 920806150 HVHHGDUIXRRNKT-KCEHYLLSSA-N 466.509 5.700 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)nc4F)cc3)CCC2)c1 1785768052 ZEWMZFZPVAFXSL-MRXNPFEDSA-N 460.484 5.048 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cn5cc(Cl)ccc5n4)CCC3)cc2)c1 1786040666 FZBURCJJFFWEOT-UHFFFAOYSA-N 497.986 5.240 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)C45CC(C(F)(F)F)(C4)C5)cc3)CCC2)ccc1F 1786461528 NOTDTTXTNHQHFU-UHFFFAOYSA-N 485.481 5.107 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)no1 1787543634 UOTGPRQAKTTYHK-UHFFFAOYSA-N 456.546 5.050 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951673 QANQCVOXWSYAQM-LLZJGCNPSA-N 475.658 5.418 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)cc2n1 1788325063 WQVXNUHAZHUFJW-SFHVURJKSA-N 478.552 5.825 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4cc(F)cc(F)c4)cc3)CCC2)CCC1 1788375967 MOMOLCCCKQTGEY-UHFFFAOYSA-N 486.522 5.468 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)cc2)CCC1 1788531377 SCODDWDSYMEHDV-NRFANRHFSA-N 457.615 5.026 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#Cc5ccccc5)cc4)cc3)CCC2)o1 1790692064 SJWCYBLTUVBMEE-UHFFFAOYSA-N 489.575 5.753 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(Cl)s5)CCC4)cc3)c2c1 1790834734 UUHPHIFGGPXVLK-UHFFFAOYSA-N 489.988 5.140 30 20 JKED COc1ccc(Cl)cc1CC(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1791186101 QZYRUAUOURJVPX-UHFFFAOYSA-N 487.987 5.405 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1 1791955727 LYRUTSMDOXRVDT-QHCPKHFHSA-N 495.620 5.206 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4Cl)CCC3)cc2)c1 1792122388 PGRKDFSJJFBENT-KRWDZBQOSA-N 458.949 5.424 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](C)n3cccc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205229 RRTQPFIQCRPYMG-REWPJTCUSA-N 494.636 5.043 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F)C2 1798339981 JGQATRBHNLWGKK-WOZUAGRISA-N 485.600 5.193 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cc3ccccc3o1)C2)c1ccccc1 1798554492 OYBWKLGPANDPOC-IWCDHCGASA-N 466.581 5.281 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Sc1ccccc1)C2)c1ccccc1 1798555492 QPUDUMQMQVSSLZ-NCDPBEIOSA-N 460.643 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2cc(Br)cnc12 1801114042 SYCXQYVSYGCODM-ACDBMABISA-N 484.438 5.242 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1c[nH]c3ccc(OCc4ccccc4)cc13)C2 1801642134 OJIXMVJVQCXRSL-ZBCONREDSA-N 485.628 5.140 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c(C)cc2OC)[C@@H]1c1cccnc1 1802500367 MZZDIIJMZBKNKN-WIOPSUGQSA-N 463.622 5.019 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1802501040 QTGWTWCJVRNPNI-CJFMBICVSA-N 491.035 5.595 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1802944583 ZKAZHQSUKNFKJF-NAKRPHOHSA-N 484.644 5.261 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@H]4C[C@@H]4c4ccc(Cl)cc4)CC3)C2)c1 1805328345 PUBZSCFSQIWMBT-FTJBHMTQSA-N 490.047 5.179 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(Br)cc3F)C2)CC1 1806495118 JEYKWMQPPYRSTK-PDFOZTTASA-N 477.418 5.045 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)cc(C(C)(C)C)c1 1806857159 GNHRPALDRGFQEA-OFVILXPXSA-N 486.660 5.300 30 20 JKED CC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1)c1ccccc1 1809013245 LWLJNKKOWVAMBB-ATIYNZHBSA-N 457.618 5.352 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809211977 HPRIXPGRTMOHSS-CECAUBDESA-N 468.022 5.482 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@H]1c1cccnc1 1810499336 BQTUIEVAOTXDJW-UUOWRZLLSA-N 480.559 5.153 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(F)c(C)c2)[C@H]1c1cccnc1)c1ccccc1 1811085871 MQXTUKFKQLEDTC-FULLSBAXSA-N 483.587 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c1 1811119875 VMYSSZKUGBJLNV-IUBQTAPSSA-N 490.966 5.135 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[C@@H]1c1cccnc1 1811298112 MTVJCBNXNQNDJE-VGKYISKLSA-N 493.611 5.157 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1 1811999233 YBAKHWDJIWTWNL-RDPSFJRHSA-N 493.394 5.202 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1812699436 XYYLOWPBALYVQH-XZOYJPPVSA-N 467.013 5.143 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1813865076 BDGYBQGJTJWCRR-BUUDZMLXSA-N 458.606 5.021 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813869305 BQIDYGAYZAQVCU-VPCISXJNSA-N 480.612 5.140 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1814744368 XMKUDWXWZZURPI-QFIPXVFZSA-N 472.932 5.167 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)[nH]n1 1814828348 HXCSIPUBHTWMGB-QHCPKHFHSA-N 488.588 5.351 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccoc3C(F)(F)F)sc2C1 1817514049 OELIGLJIGOIMTQ-AWEZNQCLSA-N 497.615 5.032 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818744660 VKAKJWQJBFNYAZ-JTSKRJEESA-N 465.985 5.619 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4[nH]3)n[nH]2)c(Cl)c1 1819190890 ORZWZNDKOGKLDZ-IBGZPJMESA-N 478.965 5.097 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2ccccc2)[nH]n1 1819302434 DVSQIIZPEMPHBV-UZKOGDIHSA-N 452.624 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[nH]n1 1819308767 AURRYGLWTLMWAG-JARREKRNSA-N 487.604 5.374 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1819491859 CQFCFVWCUUKHDJ-FFXXTYGZSA-N 477.952 5.246 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1819554639 LQNOXULSVAAQPK-NRFANRHFSA-N 451.546 5.328 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)[nH]n2)cc1 1820549316 QPQYDOSKHHKWKY-JOCHJYFZSA-N 494.580 5.368 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(F)c(C#N)c3)n[nH]2)CC1 1820915017 MTZOVLMPWSILJX-SKPFHBQLSA-N 479.600 5.118 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821107159 IRFJLFVFQFGBEA-ACJLOTCBSA-N 479.806 5.344 30 20 JKED COC1(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)CCC1 1821155195 LWHCXDUCKIMWSA-AREMUKBSSA-N 496.611 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(-c4cnco4)c3)n[nH]2)c1 1821187118 FTVYYDDDQWVELQ-MHECFPHRSA-N 494.555 5.311 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c1 1821304993 WXNDUVLNCZGUDZ-DEOSSOPVSA-N 453.546 5.087 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1821928786 PNRRITMLSCVKFY-SGTLLEGYSA-N 453.345 5.374 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n[nH]1)c1ccc(O)cc1 1822326169 OACFSJMGSLHYJK-POHJQOBCSA-N 496.611 5.108 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)[nH]n1)c1ccc(O)cc1 1822466413 CCPXWDOOLXXQDC-TUPPOGIXSA-N 496.611 5.108 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(Br)s2)n[nH]1 1822728568 VLMBILIHJPHKQC-YLZCUGDYSA-N 489.439 5.133 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)[nH]n2)c1 1823211466 MLYYAZBUJFTGGK-FOIQADDNSA-N 482.009 5.300 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)nc2)CC1 1823655606 JEBOBSUYEUULAG-ZEQRLZLVSA-N 451.655 5.381 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1823659234 DLULJUWEMYPCGY-QFIPXVFZSA-N 497.064 5.266 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1823754167 YYJVDMSJBHUGTF-RUZDIDTESA-N 462.638 5.302 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc3ncccc23)CC1 1824471225 MXOHPBTZVNWXMD-SANMLTNESA-N 461.650 5.389 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1824507919 FOIZCXJSNMXJOE-YIXXDRMTSA-N 499.655 5.431 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1824536163 ZYIKWVKTBKJBNU-DNQXCXABSA-N 471.642 5.009 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1824541661 HVKHACZTIMSPDG-OZXSUGGESA-N 493.673 5.616 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1 1824544624 QKLNWPNHPTXQKE-SLLDUXSESA-N 499.540 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1824826025 YUEUVUXRSULSDV-BXPXLQMZSA-N 491.582 5.539 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1)c1cccs1 1827682757 JXRZNNUASJHOSR-WFNSPDMASA-N 493.654 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@@H](C)c2ccccc2)CC3)c1 1827701141 TYQWIYWUYKTOEA-HMFYCAOWSA-N 472.614 5.190 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1 1827988201 YSEDADDJQGLBPP-FQEVSTJZSA-N 463.094 5.217 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)cc1 1828190921 PQBBCNHZTCRXRX-XMMPIXPASA-N 455.558 5.046 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828293860 YPQQJJRQNHYLOU-DEOSSOPVSA-N 472.029 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1828825090 TTYVLYMYUBRIQO-RDGATRHJSA-N 468.041 5.823 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(-c3ccccc3)ns2)CC1 1828825424 VUYZIKNKKYTARG-DHIUTWEWSA-N 478.662 5.207 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829955074 CKWLHSPRUJEIFJ-XMSQKQJNSA-N 467.660 5.034 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)ccc1Br 1829958215 BJHAGIZZKVKRIT-DEOSSOPVSA-N 494.433 5.176 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)cc3F)CC2)c1Cl 1830094185 GMWFQTPAQYXKKB-JOCHJYFZSA-N 471.935 5.037 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471712 KWEJIEQSEXQBNF-HSZRJFAPSA-N 459.030 5.164 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492673 XMINHPYQOVCCOJ-WXVAWEFUSA-N 476.617 5.303 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830653745 CNPBYJGMPHRQSA-GOSISDBHSA-N 477.354 5.577 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1830775414 XQUJGSKGKDNLBZ-RUZDIDTESA-N 479.571 5.011 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(C)cc2Br)CC1 1830806766 VXXKMYVYWDKARN-QHCPKHFHSA-N 491.445 5.324 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnc3[nH]ccc3c2)CC1 1831727534 KKEDZNYBOQKQMD-XMMPIXPASA-N 464.654 5.108 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831925292 BLRDYJPTZNLLLS-PYYPWFDZSA-N 498.667 5.313 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1832034899 XDZWOVFOSQESHD-SANMLTNESA-N 485.628 5.855 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1832053277 IBBKQYLGLARKFL-IZLXSDGUSA-N 477.693 5.039 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c1 1832631212 BFIZTVGYBOYMEK-FNZWTVRRSA-N 469.585 5.607 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3scnc3C3CC3)CC2)c1 1832633267 AGMCOUZQIXQPLU-WZONZLPQSA-N 476.646 5.195 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCC3)CC2)cc(C(F)(F)F)c1 1832835598 AOKPMFLXOIBXOI-QFIPXVFZSA-N 461.528 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1836698210 YFFJGKTXTDUQBX-UHFFFAOYSA-N 460.703 5.750 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 1847530450 CXGAMSNNRIPLCY-GOTSBHOMSA-N 465.981 5.111 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc3c(c2)CCCC3)c(C)n1C 10836728 KYSSIRMUSDAHOH-UHFFFAOYSA-O 487.476 6.166 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113234 JKBYHVIWBPZAFN-UHFFFAOYSA-O 471.618 6.519 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2CC)cc1 11114527 LASHFDFTMOSWBT-UHFFFAOYSA-O 471.618 6.465 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(Cl)c(Cl)c1 11158326 SGTPPCJTHMWEKS-UHFFFAOYSA-O 499.270 7.201 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1C 11159100 KNSQWBLDFAADSK-UHFFFAOYSA-O 460.406 5.963 30 20 JKED COc1cc(-c2nnc(S[C@@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)cc(OC)c1OC 11303291 NNYOOEVFDYHKQZ-WXUSHSQQSA-N 495.601 5.124 30 20 JKED C=CCOc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1OC 16441683 TVJYENPWENKXPI-UHFFFAOYSA-N 464.468 5.199 30 20 JKED C[C@@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)Nc1ccccc1C#N 16698844 IZEDGMXRKGUJBM-LLVKDONJSA-N 460.382 5.035 30 20 JKED C=CCn1c(SCC(=O)c2cc(F)ccc2F)nnc1-c1ccc(Br)cc1 22217569 FQBBRTWATWAJRU-UHFFFAOYSA-N 450.308 5.147 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(OC)cc2)cc1 22731170 DHTULWWEBIDIQE-UHFFFAOYSA-O 469.577 6.215 30 20 JKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 22938919 TTWJDEYLGCUOOU-OAQYLSRUSA-N 499.636 5.036 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 23222370 SYGLHSJSRXFTSG-KRWDZBQOSA-N 498.674 5.164 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 26112027 CQWVVPCIKGLMTD-HNNXBMFYSA-N 484.408 6.087 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 26732717 YSFPMQYAKXFZRT-LJQANCHMSA-N 453.498 5.025 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 29150501 QFMDYOSRAWOTFY-UHFFFAOYSA-N 488.396 5.848 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1 30288574 SHMAGMWIBGKBDZ-UHFFFAOYSA-N 450.951 5.259 30 20 JKED N#C[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1cccc(Cl)c1Cl 78718873 ZOWFEEHBUJNRHO-HXUWFJFHSA-N 467.381 5.928 30 20 JKED Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 105461388 HKNWRDJSAUXVHN-UHFFFAOYSA-N 463.328 5.808 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 108168719 BTRVWMXDVATVLL-UHFFFAOYSA-N 493.894 6.027 30 20 JKED CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(OCc2ccccc2C#N)c1 108866352 VPQISHWJWKMILP-UHFFFAOYSA-N 481.474 5.045 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 195648388 QPFHJOOCBYQLEG-OAHLLOKOSA-N 455.967 5.914 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 254447108 BLYZSBXFZOBMLI-PKOBYXMFSA-N 491.585 5.141 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CCC(=O)N(Cc4ccccc4)[C@H]3c3ccccc3)CC2)c1 303187433 DYNHBJMUWBVZJZ-DGPALRBDSA-N 493.607 5.108 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CCC(=O)N(Cc4ccccc4)[C@@H]3c3ccccc3)CC2)c1 303187436 DYNHBJMUWBVZJZ-PQHLKRTFSA-N 493.607 5.108 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 303284825 LCMLEEBSICYHGK-NSHDSACASA-N 485.944 5.384 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1 303317698 QNMNVGLXINXROG-FQEVSTJZSA-N 451.526 5.684 30 20 JKED CCOc1ccc([C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C(C)C)cc1OCC 409473482 DPJBZRCYAHBOIO-SANMLTNESA-N 492.620 5.113 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(SC)cc1 480260873 WFKGSJPIRVPKFB-JOCHJYFZSA-N 461.543 5.498 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](CC)c1ccccc1 484826523 RHWYKFWLYFAEQP-SANMLTNESA-N 455.558 5.466 30 20 JKED N#Cc1ccc(SCC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)nc1 498153149 ZWPUFSXZIIWJSL-UHFFFAOYSA-N 460.559 5.541 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1 502949909 OOPNVSXGEPQEEA-UHFFFAOYSA-N 460.509 5.149 30 20 JKED C=CCN(C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 503250677 CAMVRMSWZUZNEQ-UHFFFAOYSA-N 488.573 5.564 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)C2)cc1 505920047 XYENTGYRRKTLHW-RUZDIDTESA-N 469.560 5.400 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3nc(C)cs3)cc2)cc1[N+](=O)[O-] 506130475 GYQWSKCOQBLXRY-UHFFFAOYSA-N 488.529 5.065 30 20 JKED Cc1cccc(C)c1OCCCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 509641859 RFCLLRDCSCAFDQ-UHFFFAOYSA-N 473.598 5.105 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)o1 510145491 STDRQQYNJXYOTQ-UHFFFAOYSA-N 451.454 5.308 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2[C@H](C)c2ccccc2)n(C2CCCCC2)c1C 510234872 CXTCVFHZNQCSAP-LJQANCHMSA-N 462.623 5.413 30 20 JKED N#C[C@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc(O)c2c3c(sc2n1)CCCC3 513670928 DLCOMZGNOPNSBQ-QGZVFWFLSA-N 485.525 5.418 30 20 JKED CC(C)(C)NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513947540 YNJKEZWHAFOMFO-UHFFFAOYSA-N 458.537 5.460 30 20 JKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1N1CCCCC1=O 513995143 UCBKZCDOLJTGOJ-UHFFFAOYSA-N 486.547 5.457 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cc1 515547427 XSDZGOPBPPMXEK-FQEVSTJZSA-N 496.013 5.573 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 515825958 SJDFSAPPXYQTFY-UHFFFAOYSA-N 490.566 5.169 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 517795570 ARUWNRCFHFHMHT-OAQYLSRUSA-N 480.549 5.216 30 20 JKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc(-c2c(F)cccc2F)cs1 518872926 IDVZVBGJFDBGCT-QGZVFWFLSA-N 490.491 6.099 30 20 JKED COc1ccc(Sc2ccc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2Cl)cc1 519050851 BYFYWCGMWNGGJR-UHFFFAOYSA-N 479.993 5.121 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(F)ccc1Br 519416150 HMXUQUMOJRKYRK-ZDUSSCGKSA-N 453.402 5.854 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c(C)c1 520600688 KLDGABRVYXTEGZ-UHFFFAOYSA-N 453.542 6.094 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 520939293 PZDLZNJILGQDQP-IAGOWNOFSA-N 473.440 5.491 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4SC[C@@H](C)C#N)cc3)o2)cc1 521726948 UCZGARFYRUFZGQ-SFHVURJKSA-N 454.555 6.216 30 20 JKED C=CCOc1ccccc1CN(C(=O)CSc1ccc(O)cc1)c1ccc2c(c1)OCCO2 521799483 OAKFGHHLBXSXKY-UHFFFAOYSA-N 463.555 5.054 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cc2)c1 521808852 QAOSRFYBIYDHGV-UHFFFAOYSA-N 462.509 5.086 30 20 JKED Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 557546968 JOKUVBYHPYPNCE-ZDUSSCGKSA-N 460.390 5.593 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3c(cc2C#N)CCCC3)cc1 585688375 HFAMGMSDNVONSE-QGZVFWFLSA-N 486.597 5.212 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)o2)cc1 592545520 VYGDBXKVRHDEDZ-SANMLTNESA-N 462.553 5.340 30 20 JKED N#Cc1ccccc1OCc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)c1 594668891 VQYQVNQELJZTLI-GKQHHHCTSA-N 477.608 5.120 30 20 JKED Cc1nc(SCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2c(C)c(C)sc2n1 602229047 XEFQNIRYDLMSDV-UHFFFAOYSA-N 465.629 5.266 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 603527959 QEURDVWKMJVBCE-UHFFFAOYSA-N 469.585 5.011 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc(OC)c1OCc1ccccc1 603765267 SPGWOPWMCIPWEX-UHFFFAOYSA-N 481.508 5.594 30 20 JKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1 603846777 RALWDGVLIWCPNO-GFCCVEGCSA-N 455.801 5.289 30 20 JKED Cc1ccc2nc(COc3ccc(C(=O)Nc4ccc(Oc5ncccc5C#N)cc4C)cc3)cn2c1 604103059 RGUVYCAXMIORGH-UHFFFAOYSA-N 489.535 5.841 30 20 JKED CN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604157268 BZANPIWBBPXEJE-OAQYLSRUSA-N 452.341 5.246 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 604465709 BLDPMYQECOEWMK-FQEVSTJZSA-N 469.610 6.285 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc(F)c(Cl)c3)s2)c(C(F)(F)F)c1 608928589 UUEPTTVFGDJNSU-UHFFFAOYSA-N 475.876 5.218 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 609439509 HPJRSQHVASHDLG-HUUCEWRRSA-N 499.061 5.982 30 20 JKED C=CCn1c(SCC(=O)NCc2ccnc(Oc3ccccc3)c2)nnc1-c1ccc(Cl)cc1 611857890 AJGOCTACBYXGAJ-UHFFFAOYSA-N 492.004 5.380 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 613319814 LFTGGUAGZDTEIY-KRWDZBQOSA-N 463.971 6.267 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1 619835131 QMRCUPLQBVQASP-UHFFFAOYSA-N 452.605 5.008 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Oc1ccccc1 726305772 CYGIYOCEJXPODG-JIPXPUAJSA-N 475.548 5.950 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CCc3c(Cl)cccc32)cc1Cl 726402944 ICWUHLPYXCJLKQ-SFTDATJTSA-N 499.423 5.153 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)c1 726411230 HIFRWNRYEZWJDW-RUZDIDTESA-N 482.609 5.149 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)cc1F 726411545 NBGHRRNFJSQQHC-OAQYLSRUSA-N 498.605 5.068 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@H](C)c2cccs2)n1 726422030 RODBJWRXRAOIMI-LGHZOPOGSA-N 464.616 5.042 30 20 JKED N#Cc1ccc(NC(=S)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1Cl 726490367 IRZMAPSSIWFPEO-UHFFFAOYSA-N 477.815 5.022 30 20 JKED CCO/C(O)=C1/N=C(C)C(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)=C1C 726570504 BQADZWJEDFIXSG-UHFFFAOYSA-O 481.985 5.220 30 20 JKED C=CCn1c(-c2ccco2)nn(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1=S 726591036 BZZANYCVLWYNFT-KRWDZBQOSA-N 482.997 5.401 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 726696585 SHKTVTDINJJJAV-RDGATRHJSA-N 497.986 6.457 30 20 JKED Cc1nn(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1[N+](=O)[O-] 726731541 LLJRAVCZWUFAQL-CQSZACIVSA-N 464.334 5.105 30 20 JKED Cc1ccc(N(CCC#N)C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 726940199 NGMLDHCACNBWMQ-UHFFFAOYSA-N 466.335 5.092 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)cn2)c1 728268509 OJLNHEMXBSQUKY-UHFFFAOYSA-N 452.514 5.092 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1 728669108 JILUAARHTALUKN-UHFFFAOYSA-N 497.576 6.466 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)c(C)c1 728778948 VZTASWPNLAAHHR-QHCPKHFHSA-N 477.634 5.024 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/[C@H](C)c1cccs1 729633586 YMSTYVSOHRCKSL-LGHZOPOGSA-N 464.616 5.042 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(NC(C)=O)c1 729633862 GXRNUYLCGLHUGO-QFIPXVFZSA-N 484.597 5.181 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 729634258 KBIAHUKPWNMRKD-OAQYLSRUSA-N 496.539 5.152 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 730579317 HPUQJYJHJVCSCB-NSIKDUERSA-N 472.497 5.205 30 20 JKED FC(F)(F)Cn1c(-c2ccncc2)nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 744146621 HPLXEIHUNLMRGM-TXEJJXNPSA-N 493.399 5.059 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)cc1OCC(C)C 744807320 WTUASRIMWVBZHT-UHFFFAOYSA-N 454.596 5.195 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2oc(C(C)(C)C)nc2C#N)c1 746497822 DTYDXWKDQGJOSS-UHFFFAOYSA-N 470.533 5.160 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3sc(N4CCCC4)nc3Cl)c2)cc1 746876703 OOBHZBMJRIPINP-UHFFFAOYSA-N 452.967 5.294 30 20 JKED O=C1/C(=C/c2csc([N+](=O)[O-])c2)CN(c2ccccc2)C/C1=C\c1csc([N+](=O)[O-])c1 747317366 RXVVWNZRLTWMSQ-KGMKFKQSSA-N 453.501 5.182 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cc(=O)c4ccccc4o3)c2C#N)C1 792550204 WJKSXWUVFOIWAZ-HNNXBMFYSA-N 478.570 5.063 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)cc1 838082505 DGTGBVYPXGMHFE-NTKDMRAZSA-N 488.613 5.429 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1F 838229506 GWZKSCYMJASTSV-VGOFRKELSA-N 462.550 5.251 30 20 JKED Cc1nc(SCC(=O)O[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)c(C#N)c(C)c1C 856692862 OBQADVINKFXAPX-SFHVURJKSA-N 489.622 5.732 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cs2)cc1 900270925 MSWMJSAYTURSSK-KRWDZBQOSA-N 465.550 5.565 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCc3occc32)c1 913090539 NONZFQVJGREVAL-QFIPXVFZSA-N 470.978 5.122 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1C 914544069 QVOAUGKTYUZWMQ-JOCHJYFZSA-N 492.576 5.007 30 20 JKED CCn1cc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)c(=O)c2cc(Cl)ccc21 914983246 VHTNSYMXGKUBAY-UHFFFAOYSA-N 470.956 5.732 30 20 JKED CCCCCCn1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc2c1=O 915106496 BVAIFVAXDBCIAL-SFHVURJKSA-N 463.488 5.212 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1 915180230 MENBSAZUDVBNKG-XMMPIXPASA-N 479.511 5.751 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 915514488 BPNJPCFWBDLISG-SFHVURJKSA-N 480.561 5.208 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)CC)cc2)c1 916090027 RJDYOVGLGVUCTD-UHFFFAOYSA-N 498.004 5.322 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1C 916208340 ZQAPXULYWAPNSJ-IBGZPJMESA-N 463.525 5.693 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(F)cc2)cc1 916213172 AXXPSZDHPCCTEO-HSZRJFAPSA-N 493.560 5.003 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(C)c(C)c1 916216753 YGILQKYUFXEKKI-LJQANCHMSA-N 472.954 5.011 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2cccc(Cl)c2)cs1 916285405 IYFKARKOVTZSGA-UHFFFAOYSA-N 464.403 5.455 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 916888098 UQVAZHJWYIWPOJ-MRXNPFEDSA-N 497.552 5.281 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916903522 OYTUINVYGQDPCG-XMMPIXPASA-N 477.029 6.718 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 916905145 AWHFXSNADJVAKU-FQEVSTJZSA-N 468.479 5.286 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 916906330 SGBCCFWEYYPWKI-OAQYLSRUSA-N 471.605 5.458 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 916907300 LSJVKEZMEZSETF-SQHAQQRYSA-N 491.056 6.635 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 916913971 IVWQYALSAJOKDP-OAQYLSRUSA-N 451.979 5.696 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc(-c3ccco3)nc21 916928275 IYVGJJPQFWFGHA-OAHLLOKOSA-N 482.327 5.540 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916946356 RVAGDSQPWZAOIX-NRFANRHFSA-N 495.391 5.895 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F 917664452 PDGPTVOBMOVZAP-OAQYLSRUSA-N 496.495 5.034 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1 918034476 QPFHDHBRIHWFON-JOCHJYFZSA-N 477.362 5.255 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 918034831 XCRZUCFBEVAIKF-OAQYLSRUSA-N 493.394 5.639 30 20 JKED COC(=O)C1=C(C(=O)c2c(F)cccc2F)[C@@H](c2cccs2)NC(=O)N1c1ccc(C)c(F)c1 918082976 LSJHCVXOWDQBCN-HXUWFJFHSA-N 486.471 5.055 30 20 JKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)c1 918635905 GTJDHKQVDLJAQX-JZJYNLBNSA-N 461.521 5.007 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2ccccc2-c2ccccc2C#N)cs1 918901761 JFYURNNGRAKSJB-UHFFFAOYSA-N 471.513 5.862 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21 919170660 BIMOSVQODSDGSA-SFHVURJKSA-N 488.565 5.487 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 919652653 CHZIIVSWTRXWHA-SYQHCUMBSA-N 471.417 5.034 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1N1CCNC1=O 920109132 DNOCUFLDBOXPSW-INIZCTEOSA-N 471.369 5.445 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c1 920354269 BQYDVGKPKFXLKN-QFIPXVFZSA-N 480.565 5.208 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 920355994 RHSRHJBQKFSIGG-HXUWFJFHSA-N 468.966 5.105 30 20 JKED COc1cc(NC(=O)c2ccccc2)c(OC)cc1N=Cc1cc(Br)ccc1O 920941999 FBBHIHWIKUZWQC-UHFFFAOYSA-N 455.308 5.175 30 20 JKED N#CCCN(C(=O)COC(=O)c1c(-n2cccc2)sc2c1CCSC2)c1cccc(Cl)c1 927523183 BZKVHIMATSLYNA-UHFFFAOYSA-N 486.018 5.085 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)C#Cc4ccc(Cl)cc4)cc3)CCC2)s1 1786041238 ONTXOVOXWQLVSG-UHFFFAOYSA-N 463.990 5.213 30 20 JKED CC(C)[C@H](C(=O)Nc1ccc(C2(NC(=O)/C=N/N3CCCCC3)CCC2)cc1)c1ccccc1 1786182564 YXCRSPXDFSWWNS-SUSUTEKGSA-N 460.622 5.032 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)CCC2)cc1 1786371580 PAGHYYNNPIEFDG-KRWDZBQOSA-N 478.980 5.069 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C)sc34)CCC2)cc1 1786679030 VMYGZVIZKROPQQ-UHFFFAOYSA-N 451.617 5.272 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)CCC1 1787751977 JIDASIHCQIEXQF-QGZVFWFLSA-N 475.511 5.183 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4csc(-c5cccnc5)n4)cc3)CCC2)cc1 1788676299 YTIFXEVKVQLPSE-UHFFFAOYSA-N 493.592 5.333 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC[C@@H]4C)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1789213093 WGMFKXSOSOWDGC-VJBMBRPKSA-N 481.637 5.122 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(F)F)cc3Cl)cc2)CCC1 1790061591 HPLCDGZDUJJGDA-OAHLLOKOSA-N 493.938 5.490 30 20 JKED Cc1cc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)no1 1790785133 OGDYORIDZPPLJK-BQYQJAHWSA-N 494.473 5.335 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nscc45)cc3)CCC2)c1 1790943706 QCJPQUNARBGDHL-UHFFFAOYSA-N 452.539 5.229 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CN(Cc4ccccn4)C[C@H]3c3ccccc3)CCC2)cc1 1791590369 YRJSEWPJTFOATK-WUFINQPMSA-N 494.639 5.007 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)CCC2)cc1 1791730683 QLHOUDGNLOCNLK-CXUHLZMHSA-N 469.585 5.517 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(Cl)c3)cc2)CCC1 1792122166 KCXMJVROZMXGQC-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1797919349 LOAQOAXRQNGYNS-IRJINJETSA-N 491.657 5.092 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2c1 1798135048 IHUDGDWXDJJLEM-GEALJGNFSA-N 455.396 5.066 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(C)C[C@H]1C)C2 1800175923 WBVVXFYVXJHUBU-DGGUMURQSA-N 491.717 5.315 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(F)CCCCC1(F)F)C2 1800399131 YSWNVNWKDALLES-CLWJZODNSA-N 480.424 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 1801237674 CCAFIELTASSBEN-KAOXLYBCSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1802499893 KDWMGKFXRIKHQS-NOZRDPDXSA-N 453.671 5.686 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Br)cs2)[C@H]1c1cccnc1 1802504621 ZRXPLLZJLTUUMT-PXNSSMCTSA-N 490.467 5.218 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c1 1802777864 BRNAOHIDZZWWMD-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED CC[C@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1)c1ccccc1 1803672848 AYSXQVAREZIRRH-AYXOOMHTSA-N 457.618 5.395 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)c(OCC)c(Cl)c3)CC2)C1 1805457519 AXBHGQGFVKODDV-UHFFFAOYSA-N 477.020 5.491 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810401387 SGLRRBKBJCOISH-QHCPKHFHSA-N 481.640 5.959 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)C2)CC1 1810440812 WHVPFLKVNIIMHE-UHFFFAOYSA-N 482.628 5.268 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)c1cccc([C@H](F)c2cccc(F)c2)c1 1810469173 QBKFDLGBLUVZLP-OWPQXHQJSA-N 499.561 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1810503435 PLCXFCVTYMZQAL-RNXOBYDBSA-N 479.640 5.659 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccccc3)CCC2)[C@@H]1c1cccnc1 1810503484 RPEPLPPFYFEBAF-ILBGXUMGSA-N 459.634 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c1 1810692481 XTKIPOULLKWPJD-SEIFXHLTSA-N 490.966 5.135 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811251547 LUUJNHNYXTZUAB-OIFPXGRLSA-N 477.608 5.013 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1811617182 OECVHOYLYAZDJA-PQHLKRTFSA-N 494.639 5.104 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c1Cl 1811709484 DHCNURNQJMVTDB-HXOBKFHXSA-N 497.357 5.033 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811748953 GUQGCQNCFITFMS-GAJHUEQPSA-N 497.357 5.033 30 20 JKED CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1812033642 LPJBEWMWJXIJGP-AOLGGSBGSA-N 480.612 5.295 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1)C(F)(F)F 1812679997 ROUHCXIVBFEOOT-NOZRDPDXSA-N 487.566 5.181 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1813833478 NLLXHLRZVGGAKM-REWPJTCUSA-N 454.014 5.355 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)oc2ccccc12 1814738553 METPHFHMHHOKHF-QHCPKHFHSA-N 481.556 5.275 30 20 JKED CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1)c1ccccc1 1816736854 ONXZAWWCIYYHQG-ZCYQVOJMSA-N 469.589 5.100 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N(C)C)c3ccccc23)n[nH]1 1818609438 QIRPMGPUDZXNPO-VWLOTQADSA-N 471.605 5.128 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)[nH]n1 1819309114 MRGZXWPXKHIESJ-FPOVZHCZSA-N 490.526 5.511 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)[nH]n1 1819555557 LVZCWBBWRNVWIX-GOSISDBHSA-N 467.595 5.425 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(CC=C)CC=C)[nH]n1 1820914764 ONTWVTAAJNAHHF-IFMALSPDSA-N 499.656 5.030 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n[nH]1 1821002763 GOBUXHOQYLEFTC-DVECYGJZSA-N 485.588 5.180 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cccc(-c2cnco2)c1 1821186923 XYWJXHUKJPXUJD-QHCPKHFHSA-N 499.958 5.076 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)c1Cl 1821274419 SMNUUZIFLWHYRY-FQEVSTJZSA-N 465.916 5.002 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)cc(C(F)(F)F)c1 1821311554 ZCOMKBPCSACGLQ-WHEACTPUSA-N 499.537 5.432 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](C)Oc2ccccc2)n[nH]1 1821779885 BNASPUBMASAWQV-SIKLNZKXSA-N 452.599 5.252 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)C#N)[nH]n1)c1ccc(Cl)cc1 1821857363 TWNLZUFJAVMXAO-TZIWHRDSSA-N 455.990 5.045 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821925861 AQARXUZKWZBXIL-AUUYWEPGSA-N 466.479 5.015 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)[nH]n1 1822582024 GRNWNRRRRHJTSY-LJQANCHMSA-N 486.498 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)[nH]n2)c1 1823217452 SXEGMMVXIQWRTI-DPQOWFAMSA-N 467.573 5.073 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1823813014 ZJNBNCSDCRUQIF-VWLOTQADSA-N 498.652 5.158 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1823925339 RYJSNOAPXADGHK-CLOONOSVSA-N 477.580 5.008 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c(Cl)c1 1824039176 SZPJNPZWOXJDHE-USZFVNFHSA-N 494.010 5.388 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)CC1 1824422430 SRFBEWIIIMHCGS-RRPNLBNLSA-N 464.650 5.079 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826782463 WTCGZTDDKLDSAD-KEQINOFFSA-N 475.677 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1826950236 AWQFZYGQCMUSNR-AQHOXQCLSA-N 477.693 5.439 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827345004 CAHPUIVMCMEGFK-GMAHTHKFSA-N 490.069 5.183 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCCO4)CC2)c1 1828448228 QAKOFLFTIBXBJL-DFHRPNOPSA-N 499.655 5.115 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828828189 DSTACKSNAWUOFO-WNCULLNHSA-N 475.633 5.251 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1Cl 1829690313 WDCOSGHITGJWES-YKSBVNFPSA-N 495.973 5.363 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)c1 1829776256 YLSPTVDVBAWDPA-AREMUKBSSA-N 482.584 5.226 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)c1 1829956360 FPVMNKBPTBBGSR-AREMUKBSSA-N 487.003 5.307 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1830015957 XVBXIVXFXJAPBT-LJQANCHMSA-N 476.429 5.474 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1830115855 WFCRWCXJEIROAG-CLOONOSVSA-N 494.035 5.523 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1F 1830570715 YAAAVHXFWBKHLL-FQRUVTKNSA-N 461.581 5.308 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1830631057 VVVDTYZVJXRFTC-GDLZYMKVSA-N 479.624 5.382 30 20 JKED CCc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc(C)n1 1830721281 BAFKCVVIQYQLEA-RUZDIDTESA-N 479.024 5.025 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)c(Cl)c1 1830721342 CFXSBBYUOKVSIJ-SANMLTNESA-N 487.003 5.307 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(Cl)c1 1830722184 CKWPDQYNWYVYMY-AREMUKBSSA-N 489.019 5.169 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c(F)c1 1830773250 KQNYLEZRHWZTDC-AREMUKBSSA-N 477.580 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)CC1 1830942922 ZJBVOGMKGQOPPL-QPPBQGQZSA-N 463.622 5.178 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1831444360 LWQJKEKWXSMBFM-DEOSSOPVSA-N 497.586 5.202 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686264 ONEZTSNVBMISJZ-AIIPKAINSA-N 485.466 5.276 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1831850057 PHKRTODZQNZZON-RUZDIDTESA-N 495.461 5.639 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832629593 UQMAJALNEYIJNE-RXFWQSSRSA-N 461.581 5.308 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3onc4ccccc34)CC2)c1 1832633209 GRQPHNXZMLHOOZ-KBMIEXCESA-N 470.573 5.002 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C#N 1832703165 FWXOKPQOSJCRRR-RUZDIDTESA-N 477.580 5.032 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)c[nH]c2c1 1832962224 OQYVAYLNHZJIPA-NRTJEHLZSA-N 498.602 5.434 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 1836697169 ZZBQLKKDNXOTLY-UHFFFAOYSA-N 478.555 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1838276865 HBASDLBPKHDWJP-CYXNTTPDSA-N 485.068 5.211 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C5CC5)cc4)CC3)CC2)c1 1838688385 APQAUXAIQMZDFQ-NRFANRHFSA-N 485.628 5.117 30 20 JKED CC#C[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)CCCCC)CC2)CC1)c1ccc(O)cc1 1838758023 IZTNYFSSIMZPEH-NOZRDPDXSA-N 496.692 5.104 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC34CN(C(=O)c3ccc(CC#N)cc3)C4)ccc21 1844742930 OLSCMFDZTUJQNW-UHFFFAOYSA-N 476.580 5.011 30 20 JKED C=C(C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2)C(F)(F)F 1846016316 PYLVLUPDRWFIRY-UHFFFAOYSA-N 498.423 5.433 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)C2(c4ccc(Cl)c(Cl)c4)CC2)C3)c1 1846828868 MZFGGKHMAGLLOW-QGZVFWFLSA-N 482.411 5.169 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 1847263932 BSKFFHQYAVVKQD-ZEQRLZLVSA-N 493.648 5.161 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 1847533531 UYBBMKICNRNVGL-VMPREFPWSA-N 497.639 5.260 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10172454 CQCRNTJFEGCXOE-UHFFFAOYSA-O 487.670 7.058 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccc(CC)cc2)cc1 10172459 JPCWXJXSLXCBOA-UHFFFAOYSA-O 481.641 6.942 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174186 GTOCYMZSJQQNBO-UHFFFAOYSA-O 499.578 6.365 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1CCCc1ccccc1)C(=O)Nc1ccccc1C#N 10415573 WVONNCGBNWKXFM-IBGZPJMESA-N 468.582 5.020 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Cl)cc2)cc1 10832775 JFUNUIHCUNGFIX-UHFFFAOYSA-O 464.054 6.465 30 20 JKED COc1cc(/C=C/C(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1Cl 16408362 FCIXJZKPEFATDD-ZRDIBKRKSA-N 461.901 6.008 30 20 JKED COc1ccc(NC(=O)[C@@H](Sc2nc(C)cc(C(F)(F)F)c2C#N)c2ccccc2)cc1 16564963 JTGAFFRQKCSWDY-FQEVSTJZSA-N 457.477 5.761 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3sc4ccccc4n23)n(-c2cccc(F)c2)c1C 16628392 QXTXVMYZAUXZFH-UHFFFAOYSA-N 476.562 5.093 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccc(OC)cc2OC)c1=S 16874409 FNKZTHWQWVYAKQ-NRFANRHFSA-N 466.607 5.087 30 20 JKED Cc1cc(CSc2ncccc2C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)no1 18468027 FNMRYLYQIVAZDL-OAHLLOKOSA-N 496.614 5.056 30 20 JKED CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2-c2ccccc2F)cc1 22128581 CRWUKIIVVWWSHM-SSOJOUAXSA-N 481.597 5.007 30 20 JKED CCOc1ccc(-n2c(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2ccncc2)cc1 23244113 DQZZIUUAONDHQI-HXUWFJFHSA-N 498.612 5.155 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nc2sc3c(c2c1=O)CCCC3 23404861 SOUWNBCZUMJRRT-DOTOQJQBSA-N 485.700 5.429 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 23518827 VLLSDZPVTGUWRE-FUHWJXTLSA-N 472.611 5.088 30 20 JKED C[C@H](c1ccccc1)n1c(SC[C@@H](C#N)CCC#N)nc2ccc(Br)cc2c1=O 24097065 UVWCKNHMJJWYTB-HZPDHXFCSA-N 467.392 5.304 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccccc1 24727711 NCLRAUIAGAMOLW-OAHLLOKOSA-N 465.579 5.513 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2SCc2cccc(Br)c2)cc1 32058445 XSXSWVWYHPEDRY-UHFFFAOYSA-N 497.418 5.696 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(Cl)ccc2Cl)=C(\S)Nc2ccc(OC(F)F)cc2)c1 33509199 ZNHFCSXYBRDQQU-UHFFFAOYSA-O 482.359 6.242 30 20 JKED CCOc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)ccc1OCc1cccnc1 46809344 LNBSXQWFHLTQFG-UHFFFAOYSA-N 471.435 5.124 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)cs1)c1ccc(F)cc1F 71813702 NCRRUPSUOYKAHU-FMIVXFBMSA-N 460.505 6.254 30 20 JKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1cccc(OCc2ccccn2)c1 71977601 QIDVUOOMWSQXTF-FQEVSTJZSA-N 465.578 6.174 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)ccc1SC(F)F 72047593 MCFOZLQCHHZESH-FNORWQNLSA-N 496.507 6.325 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 303183136 LCHZDEDQZUAINH-UHFFFAOYSA-N 486.641 5.013 30 20 JKED CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 303230971 XTKMZMPTPZTPEO-YLJYHZDGSA-N 453.970 5.014 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 303264172 FVLRWQFHIGNVTR-INIZCTEOSA-N 490.576 6.095 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3cccc4ccccc34)CC2)cc1 477407125 NEXVWAMFYLQHNW-UHFFFAOYSA-N 453.586 6.066 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1Cl 487096519 XNVDYQDORACBSC-OFVILXPXSA-N 489.978 5.554 30 20 JKED C=CCc1cc(CNC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc(OC)c1OC 497744241 YLTILQOGZLHMNG-UHFFFAOYSA-N 451.548 5.068 30 20 JKED COc1cc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OCC(F)(F)F 504060390 OCPNAYMXJRQYGO-UHFFFAOYSA-N 497.473 5.332 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 504811765 CIARZYXRPNGASH-UHFFFAOYSA-N 483.494 5.256 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 506741733 ICEOATQYIUAPGR-UHFFFAOYSA-N 476.508 5.520 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 511741812 ODWUEUPBZNOMRX-XMMPIXPASA-N 481.596 5.145 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1 512511817 MFNLLINQRIDEDN-SFHVURJKSA-N 463.582 5.112 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 513667513 UUJYYDKSHDZTIA-UHFFFAOYSA-N 485.638 5.967 30 20 JKED COc1cn(-c2ccccc2)nc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 514116047 FKSCGRWJJCMAAZ-UHFFFAOYSA-N 483.475 5.071 30 20 JKED N#Cc1c(SCC(=O)Nc2ccccc2Br)nc2c(c1-c1ccco1)CCC2 515163257 FZIPTJDVPYHVCD-UHFFFAOYSA-N 454.349 5.195 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 517524691 FIXQMRHQQAKLQT-VFNWGFHPSA-N 470.019 5.640 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)c2)cc1 517846303 CMFCEOVVMACURZ-UHFFFAOYSA-N 473.583 5.736 30 20 JKED C[C@@H](NS(=O)(=O)c1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1)c1ccccc1 518207444 KMOKUODBDOIOQL-QVKFZJNVSA-N 488.396 5.028 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccc(F)cc2)n1 518665764 OEYJKGQWBZUKBV-HNNXBMFYSA-N 457.621 6.215 30 20 JKED COCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 518683576 YEDZASWHOHAQOS-IRXDYDNUSA-N 465.541 6.199 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1)c1ccccc1 520536867 YFXOHXUCYSFBNA-UHFFFAOYSA-N 479.511 5.805 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)n2)cc1 520655327 YTLTZPROEJULKQ-QHCPKHFHSA-N 467.550 5.585 30 20 JKED N#CCCN(C(=O)COc1c(Br)cccc1Br)c1cccc(Cl)c1 520704849 QYECUJVWBAVCBI-UHFFFAOYSA-N 472.564 5.191 30 20 JKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 521356793 UMSQBILXZGFFLP-FQEVSTJZSA-N 467.569 5.570 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2n1C(F)F 522488150 ZAIXRTZIFNHVPB-ZDUSSCGKSA-N 462.403 6.064 30 20 JKED Cc1cc(NCc2ccccc2NS(=O)(=O)c2ccccc2)n2c(nc3ccccc32)c1C#N 522616359 HSJOVSRUXBAALE-UHFFFAOYSA-N 467.554 5.081 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCc3c(Br)cccc32)cc1 590138086 LHQZMRXICZVRAZ-NRFANRHFSA-N 454.368 5.072 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)c1 603909796 QXXBLCQKWRUHBJ-UHFFFAOYSA-N 475.599 5.240 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 603960167 CLYPNIILFLLCPZ-UHFFFAOYSA-N 450.454 5.350 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)cn2)c1 609326835 LSAYVCZKMLCBGC-UHFFFAOYSA-N 484.825 5.251 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 609437107 PMEYYBZXSXIWJT-NRFANRHFSA-N 481.625 6.314 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 609439340 LUMDOFCKVQXACO-GOSISDBHSA-N 470.038 5.691 30 20 JKED COc1cc(OC)c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)[nH]c2c1OC 613319573 ITFNHQWBIIXRLX-HNNXBMFYSA-N 467.934 5.461 30 20 JKED CC(C)(C)n1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C(F)(F)F 613404978 RUQHXVDCKPYVTG-SNVBAGLBSA-N 460.403 5.775 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 613906608 VASYUFJLZOAJBJ-FQEVSTJZSA-N 491.419 6.033 30 20 JKED O=C(Nc1ccc(Br)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618542516 RQJNSYUDVFENHZ-YUMQZZPRSA-N 487.160 6.063 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1OC 620344549 RNIYTMZKBAWSSS-UHFFFAOYSA-N 496.327 5.517 30 20 JKED C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 642637184 UWRLXUQISCJWQD-XDTLVQLUSA-N 450.345 5.975 30 20 JKED C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(OCc2cccnc2)cc1 642689166 FQKMIIYZNDQTGT-SFHVURJKSA-N 453.464 5.091 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1=S 725776000 XQRYBBVAOBRXTL-UHFFFAOYSA-N 499.681 5.097 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(Cl)cc2)cn1 726116574 GRUOFJIJBMXXSV-QFIPXVFZSA-N 496.036 5.334 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 726403122 YNECPCDKGBAJID-KUHUBIRLSA-N 480.417 5.379 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCCC3)C2=O)cc1 726409153 ODSFSZMOVCCJET-QFIPXVFZSA-N 495.004 5.317 30 20 JKED N#CCCCOc1cccc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)c1 726741868 IKELSACMHABIAL-ATVHPVEESA-N 453.976 6.545 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cc(C)ccc2C)c1C 727252927 UKDNBCOCZWJLJO-XMMPIXPASA-N 489.645 5.297 30 20 JKED CCOc1c(Br)cc(/C=C/C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OC 727267058 AZWCEKFYSOGABG-VOTSOKGWSA-N 479.283 5.186 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccc(OCC#N)cc3)C2=O)cc1 727650590 NHHXMCCVAIYXTR-RUZDIDTESA-N 498.608 5.366 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCc1ccc(F)cc1C#N 728615091 LLGUVVWPFOOKLB-AWEZNQCLSA-N 479.558 5.440 30 20 JKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 729034862 BWHSKHVAOHTJQZ-YYADALCUSA-N 497.448 5.249 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 729145653 MYRMFUSNWDCKJS-SFHVURJKSA-N 488.997 5.405 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 729888611 MAZUCEPLGZLFSV-BXKMTCNYSA-N 455.514 5.052 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 730475736 WPVQINWKDFZVJA-GOSISDBHSA-N 483.265 5.107 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1Cl 730687542 OVGDQHGOHSWOGO-ZDUSSCGKSA-N 481.883 5.257 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730944584 YKBXKTDJPITXEE-SQJMNOBHSA-N 486.641 6.037 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 730944703 FKZGEQQPEYDADT-AOMKIAJQSA-N 489.988 5.328 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 731006325 YUWOUTHTXKDDAP-UHFFFAOYSA-N 485.927 5.913 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)cc1F 731077006 DMIADTCENQBYLO-INIZCTEOSA-N 466.509 5.679 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCc3ccc(OCC#N)cc3)n2Cc2ccco2)cc1 731155909 AZIJYRHEEOYLIO-UHFFFAOYSA-N 458.587 6.079 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747111793 GLVUMXSFITUMLD-QGZVFWFLSA-N 468.365 6.041 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2nccs2)cc1 747601067 DGCPWHTVEJTLGU-OAQYLSRUSA-N 494.642 5.053 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1-c1ccccc1Cl 748480928 BBIXPLYXDAJBPH-HNNXBMFYSA-N 489.935 5.320 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 799212358 HNDXWGMORFQDFW-GOSISDBHSA-N 464.374 5.176 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1 800616726 RICUWYPNCBSCLG-UHFFFAOYSA-N 461.587 5.076 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 837542409 KSQZKIFNQYKULA-QVKFZJNVSA-N 466.513 5.081 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 881448489 QLMCMIKSSRFQRL-CZIZESTLSA-N 479.561 5.146 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)cc2OC)c1 914525073 AKCIJRVXDBYXSE-UHFFFAOYSA-N 474.941 5.121 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 914691450 OFQWCVFHEZBWPT-QVKFZJNVSA-N 469.513 5.149 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2ccccc2n1C(F)F 915104572 SCQBGBPXTIACSR-CRAIPNDOSA-N 477.298 5.219 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(Nc2ccc(SC(F)F)cc2)sc1=S 915796066 SWSUVZVLLYMODE-UHFFFAOYSA-N 464.592 5.501 30 20 JKED O=C(O)C(=O)/C(=C/c1csc(-c2cccc(Br)c2)n1)c1ccc2ccccc2n1 916138187 WDJAFHXWVRLGAT-GZTJUZNOSA-N 465.328 5.315 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O)Nc1ccc2ccccc2c1 916209266 IFZCPWIFMOSTAF-XMMPIXPASA-N 484.556 5.534 30 20 JKED CC(=O)N(c1nc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1)c1ccc(F)cc1F 916285938 QNKOWUYBHLDJID-UHFFFAOYSA-N 485.394 5.479 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CCc2ccco2)c1 916831447 HNSFLFHDFYRBLN-GOSISDBHSA-N 472.994 5.065 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916882287 ACBLNTVHLILJII-IBGZPJMESA-N 466.925 5.208 30 20 JKED Cc1cc(C)n(-c2ccc(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)n1 916904749 DGEHCJTVCFCGIJ-DEOSSOPVSA-N 464.525 5.172 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916927828 PFQBDMBOIHOLLB-INIZCTEOSA-N 469.284 5.606 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)n2)cc1 916974551 LQRVGNBYODDNMC-IRXDYDNUSA-N 480.387 5.110 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1 917042482 BUJCGZNPDXRCDV-WOJBJXKFSA-N 459.958 5.687 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccsc2)c1 917666565 IURQZBBMQTVLBT-JOCHJYFZSA-N 493.610 5.120 30 20 JKED N#C[C@H](C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 920110569 OCJLKJQFXGLZMV-HZPDHXFCSA-N 490.799 6.000 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(Br)c2)s1 920168264 JTNQWTLPNZVNIU-UGSOOPFHSA-N 492.464 5.180 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2c(C)noc2C)cc1 920355807 PHZPIFGHCWNVCW-OAQYLSRUSA-N 482.993 5.414 30 20 JKED C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1286961173 LTBYXGOPVBWVRD-IPYPFGDCSA-N 473.341 5.000 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3c(Cl)cccc3s1)C2 1779271426 PZAAHSVDHIKFJE-XZLZDHACSA-N 487.065 5.451 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 1779513460 WVJAJSLJNYHIAL-YIXXDRMTSA-N 487.084 5.268 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)[C@H]4CCc5ccoc5C4)cc3)CCC2)c1 1786213717 RRUBZWDFIXYVCO-QHCPKHFHSA-N 467.569 5.023 30 20 JKED O=C(CCc1cnc[nH]1)Nc1ccc(C2(NC(=O)c3ccc(C#Cc4ccccc4)cc3)CCC2)cc1 1786807938 LKPYKBKDQUALAT-UHFFFAOYSA-N 488.591 5.190 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)CCc3cc(F)ccn3)cc2)CCC1 1786822201 XBPJIAWLDUIEEP-UHFFFAOYSA-N 479.672 5.339 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)nc4)cc3)CCC2)c1 1787426664 IRXMYURXARFHKC-UHFFFAOYSA-N 464.447 5.034 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)no1 1787545224 GSSSUSKZBQMMOH-UHFFFAOYSA-N 497.477 5.145 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4nc(C)ccc4c3)cc2)CCC1)C(F)(F)F 1789034267 BKDCVZPXFLXRCP-UHFFFAOYSA-N 453.464 5.409 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(-c5nccs5)noc4c3)cc2)CCC1 1789224100 HHOXPTKATNFMTK-CQSZACIVSA-N 478.599 5.017 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1 1789514786 AYLOHRRZUIMXIV-OKCVXOCRSA-N 490.501 5.064 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c(C)n1C 1789976034 LPZHDUXUTORGHG-UHFFFAOYSA-N 460.965 5.229 30 20 JKED Cc1nc[nH]c1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)cc2)CCC1 1790689456 IMNHWKCLFVIRIM-UHFFFAOYSA-N 474.564 5.179 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(F)c(F)ccc4c3)cc2)CCC1 1790965836 KRENIHVMTKUWQG-UHFFFAOYSA-N 471.454 5.472 30 20 JKED COc1cc(Cl)ccc1CC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1791151931 YGTVLVSIASYING-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)CCC2)cc1 1791253275 ABSARLLYIAXOCT-INIZCTEOSA-N 470.495 5.313 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3[nH]nc4c(Cl)cccc34)CCC2)cc1)C(F)(F)F 1791304955 WGDZWNRXXJZXCV-UHFFFAOYSA-N 476.886 5.011 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccc(Br)cc4)CCC3)cc2)CCC1 1792232726 JUWCNQONESAJST-YADHBBJMSA-N 492.417 5.381 30 20 JKED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCc1ccccc1)C2 1793569910 GYXFGSGGRVPTJI-ZRIRBKMQSA-N 466.666 5.026 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC(F)(F)F)cc1Cl 1799250663 IVQXQFBLEGVHDH-ZMMAXQRCSA-N 484.946 5.301 30 20 JKED Cc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800740003 KKWNKWSVVNJTMT-ACDBMABISA-N 475.898 5.105 30 20 JKED Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(C#N)cc(C(F)(F)F)c3)sc2c1 1800743249 DZUBUPOGGIJNKJ-WKCHPHFGSA-N 497.542 5.666 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1802733044 BWFSRDTYQSNMKJ-NVQXNPDNSA-N 496.127 5.414 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1803081720 FOVSBRGPPPTSQL-DHLKQENFSA-N 485.550 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807837679 XDYUBPHPLXJWRG-WWPJHQMMSA-N 494.639 5.540 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809212102 JHNJBIACYQMKGO-TVTNDZMWSA-N 499.036 5.070 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(OC)ccc3o2)[C@H]1c1cccnc1 1809711650 DBFLFHWLLHCHQX-NBGIEHNGSA-N 475.589 5.148 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)cc12 1809805706 RSWHNVCCHYFFID-IBVKSMDESA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1810171518 GDCRUNFAXZRTGJ-JBRSBNLGSA-N 486.641 5.293 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@H]1c1cccnc1)c1ccccc1 1810444691 SHCRSXGTODZPRV-XQFUHLNNSA-N 490.607 5.080 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@H]1c1cccnc1 1810473556 QUXYHQJMOGMQIL-JKJMAWGESA-N 485.603 5.343 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1812439407 AQXAPXCASNMNAA-SLSDLSHTSA-N 480.052 5.463 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1813866493 SSIQTCITNQQHFT-JFNMBEKYSA-N 482.584 5.033 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)s1 1813869812 RAJMQUKJAOUWHS-NKOFNEFMSA-N 484.625 5.112 30 20 JKED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2c2cccnc2)CCC1 1813977632 NKIRCLHXNSPTFS-MGPUTAFESA-N 491.806 5.055 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)CC1 1814498824 AXTAPJNQMGQHLU-QHCPKHFHSA-N 461.610 5.123 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1815207303 CRCRSVRYFPRIAB-SFHVURJKSA-N 487.025 5.567 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)c1Cl 1817496913 KANRVERSNUIHIM-JBVUFVISSA-N 465.966 5.016 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818594173 HFUSHBVDBUUBQE-LJQANCHMSA-N 470.570 5.052 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1)c1cccs1 1819027545 FXIKEDNSMHIBDF-LFAOLKIESA-N 496.639 5.492 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)[nH]n1 1819307460 UXIXPEHSMFERTG-ZHALLVOQSA-N 458.653 5.413 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1)c1ccccc1 1819517298 WBJWYGRKXJDFLV-GGAORHGYSA-N 482.575 5.425 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccccc4)no3)n[nH]2)c1 1819799587 LVSXSZZCCBGAFI-UUOWRZLLSA-N 494.555 5.311 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(C)c1 1820481811 PUIOPPWWIGPJSQ-DVECYGJZSA-N 455.562 5.273 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(-c4cccs4)on3)sc2C1 1820550770 WTEBGQSUDOSGAH-AWEZNQCLSA-N 470.620 5.078 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)[nH]n2)c1 1821275056 BGDCQAQWUDMYTB-OAQYLSRUSA-N 490.926 5.175 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4c(Cl)cccc34)n[nH]2)cc1 1821540259 HELFLUIOSQABFI-JOCHJYFZSA-N 486.963 5.230 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1)C(F)(F)F 1821991746 CZTVOFMWXBWXMT-HXUWFJFHSA-N 483.494 5.205 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)[nH]n1 1822400774 VIQMHPZWQXMPLW-DEOSSOPVSA-N 455.562 5.420 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3C(C)(C)C)[nH]n2)c1 1823212244 MVKSEUMIJJPHFM-WZONZLPQSA-N 484.604 5.349 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991398 GDRYGMZXFLFZEJ-HSZRJFAPSA-N 495.023 5.310 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc5ccccc45)CC3)c2c1 1828009553 FEQDEQOAXLQMQI-MHZLTWQESA-N 491.595 5.135 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)CC2)c1 1828559170 GYTFIQQESGVDNA-XMMPIXPASA-N 491.657 5.054 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829570229 JWXHBHVHQUKDNJ-QFIPXVFZSA-N 472.589 5.007 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829868481 MZJSHQHQBVCSDZ-QFIPXVFZSA-N 497.064 5.266 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c1 1829897440 ZSNGBAIXNSEEGR-KBMIEXCESA-N 464.009 5.514 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830731040 OJAURKNMTDQCEH-UYAOXDASSA-N 475.457 5.320 30 20 JKED C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755911 OKAQIDWLABXLBB-ZQMYSKGWSA-N 475.555 5.247 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 1831373857 UXACTDCVGDXMIH-FYYLOGMGSA-N 489.701 5.046 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 1831374411 PSFVLMVNPAGQNO-VFNWGFHPSA-N 483.397 5.173 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1)C(F)(F)F 1831455453 RTFBRZLXIQSJKW-XTXLJPNXSA-N 499.371 5.201 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@H](C)c3ccccc3)CC2)c1 1831509242 KQKJXOQDCCNASI-WXVAWEFUSA-N 457.618 5.294 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1832631999 JZGINDBSMVRRGV-XMSQKQJNSA-N 491.682 6.137 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccsc3)CC2)c1 1832633288 APSJLIMSWNMMFE-JJHGBTGXSA-N 461.631 5.322 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1F 1832635325 ABTJDSOVYBHOBM-DVECYGJZSA-N 479.571 5.447 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1832669901 DQQBERRAGWFFDW-SANMLTNESA-N 494.035 5.086 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccccc3F)CC2)CC1 1832849721 NOQYUSOFMDLMSY-DHLKQENFSA-N 452.614 5.245 30 20 JKED C[C@H](CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1)c1ccccc1 1838535903 OSUOIZKHWMGUGP-HXUWFJFHSA-N 494.035 5.018 30 20 JKED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 1846779831 AFCDRVKCMFCGSD-NRFANRHFSA-N 492.563 5.269 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C#N)c1 9033834 JODXTJWTCGESPO-UHFFFAOYSA-N 469.998 5.474 30 20 JKED CCn1c(SCC(=O)N[C@](C)(C#N)C2CC2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 9840779 IWUOWMPVHAABAL-HHHXNRCGSA-N 482.613 5.081 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccc(C)cc2C)cc1 10168409 CLVMMUJRAKMGBR-UHFFFAOYSA-O 465.642 6.871 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10168475 FJNCPESJUBLVEJ-UHFFFAOYSA-O 451.615 6.233 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 10172829 NMPHSGACDMAGHL-UHFFFAOYSA-O 483.604 6.541 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(CO)c2)c(C)s1 10174199 BFPFFAZLWVLRML-UHFFFAOYSA-O 481.541 5.094 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccc(OC)cc1 10533292 YLCJAUWLFADTQL-HSZRJFAPSA-N 456.571 5.612 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113790 CKVORNVMYXEJRM-UHFFFAOYSA-O 471.618 6.519 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c1 11249101 MUVQQGMHWZVLBZ-UHFFFAOYSA-O 453.578 6.218 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15248006 RPHLJBRLSPPAAP-UHFFFAOYSA-O 474.389 5.411 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Br)cc1 16832628 JRQAUTPNRRSLKQ-MRXNPFEDSA-N 471.424 5.630 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(C)c1 21227530 PXZMAQXWLXAGIA-RXFWQSSRSA-N 461.635 5.010 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)NCCc2ccccc2)cc1 22735342 SSWQBKSJUDQDFI-UHFFFAOYSA-O 482.467 5.460 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2cc(-c3ccccc3)sc2c1=O 24267926 ZMDRCSAXAFZXOX-UHFFFAOYSA-N 486.622 5.350 30 20 JKED COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Br 30510458 YQTVLBNCQWRROD-KGLIPLIRSA-N 476.440 5.338 30 20 JKED COc1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4-c4ccccc4C#N)CC3)cs2)cc1 32314099 LXTBOKGRVUBPEJ-UHFFFAOYSA-N 494.620 5.315 30 20 JKED COc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OCc1ccc(Br)cc1 71919101 QFWPUGZCAZODOW-UHFFFAOYSA-N 451.320 5.355 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC1 195717030 VSSPHQZCKCURNH-UHFFFAOYSA-N 473.623 6.011 30 20 JKED CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C#N)CC3)c(Cl)cc2Cl)cc1 195745658 WZMLESNKDIADRO-UHFFFAOYSA-N 494.444 5.513 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)nnc1-c1cccc(C)c1 255934538 SLHKSRRRWPAGPQ-UHFFFAOYSA-N 475.643 5.678 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 303207517 QHIBCFWYJGGCRG-UHFFFAOYSA-N 455.583 5.053 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(OCC)c(OC)c1 409523432 TUPQSBIBILAUAC-OAHLLOKOSA-N 465.363 5.454 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)c1ccc(C#N)cc1 481055035 UWKBEFDIFGZREC-HNNXBMFYSA-N 453.420 5.185 30 20 JKED CC(C)N(C)Cc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481651449 AUUYWQRIAAPLQP-UHFFFAOYSA-N 460.553 5.438 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 488013808 JQRDRPPICDGLFN-UHFFFAOYSA-N 468.532 5.284 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)c2)cc1 491549748 ICXALQKCKAOPAC-VWLOTQADSA-N 460.622 5.452 30 20 JKED COc1ccc(C#N)cc1NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 493206362 QQDUWCZDNCADMM-PDGQHHTCSA-N 470.510 5.654 30 20 JKED C=CCc1cc(CNC(=O)c2ccccc2SCc2c(C)noc2C)cc(OC)c1OC 497426156 OMGSUAPESJMYKH-UHFFFAOYSA-N 452.576 5.259 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3CSc3nc4ccccc4o3)CC2)c1 501751392 YAJBDAPOZBMQKG-UHFFFAOYSA-N 496.592 5.483 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccccc1SCC(=O)NC(C)C 501783241 YEBXZKDDSHCGBH-UHFFFAOYSA-N 479.415 5.033 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2C#N)C1 502956165 KFUMDHQYZBVHEY-CQSZACIVSA-N 482.562 5.006 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1C#N 503826688 GUNWHQZEJILEBV-UHFFFAOYSA-N 482.609 5.327 30 20 JKED COc1cc(C)c(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 509895451 DUKFMQOSFVMKCH-UHFFFAOYSA-N 459.546 5.321 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CCOCC2)cc1 510594541 ZDMDBTDRUTZEJA-UHFFFAOYSA-N 485.584 5.210 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCCC(=O)Nc3ccc(Cl)cc3)c2)c1 511463100 ZEZVIYBXFOQSLA-UHFFFAOYSA-N 475.936 5.004 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 511484914 UJHOPMYSGSCCGB-UPVQGACJSA-N 459.977 5.838 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(OC(F)F)cc1 511515349 VQEPZLHGMGFVEU-OAHLLOKOSA-N 450.445 5.295 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512171777 SGSRCKQWQVLGLI-MGPUTAFESA-N 462.531 5.146 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 515878831 AGPGHKVKCAZUTP-UKILVPOCSA-N 457.961 5.510 30 20 JKED C[C@H](Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)c1ccc(C#N)cc1 516372202 WWIGZQURLIJBET-SFHVURJKSA-N 455.587 5.235 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)n2)cc1 518516745 VXQIYQMMAAUULF-OAQYLSRUSA-N 483.528 5.424 30 20 JKED N#Cc1c(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)sc2c1CCC2 518877280 DDWUGKBORJREPK-UHFFFAOYSA-N 464.387 5.243 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 520496800 KPHWHZQHYXXVFI-DEOSSOPVSA-N 478.552 5.197 30 20 JKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CCN(CCc2ccccn2)CC1 520666146 KUZSOXPZSVFSSL-UHFFFAOYSA-N 490.007 5.570 30 20 JKED O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccc(C#Cc2ccccc2)cc1 520829766 QDWSNLHAZAVVTQ-UHFFFAOYSA-N 451.547 5.313 30 20 JKED C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 520950132 HNPMMYJJXBEXMM-QFIPXVFZSA-N 493.582 6.308 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 521123345 UKDGJENRRBJVPM-GOSISDBHSA-N 453.539 5.384 30 20 JKED CC(C)CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 598506207 OIDDXCVCJZRWRL-WRDKKKNXSA-N 483.682 5.315 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2c[nH]c3ccccc23)cc1 603658259 WJBUCQBHYOXLSI-DEOSSOPVSA-N 452.558 5.931 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 603831127 XTQUNJIFSRBQMP-UHFFFAOYSA-N 453.464 6.014 30 20 JKED Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)s1 604142806 XFTYAPIPXIIWLQ-AWEZNQCLSA-N 453.951 5.498 30 20 JKED CCc1cccc2c(C3CCN(C(=O)c4ccc(COc5ccccc5C#N)o4)CC3)c[nH]c12 604193451 XPVBYNMFGALZJX-UHFFFAOYSA-N 453.542 5.794 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OCc1cccnc1 604241936 YDOJIZYGTCMPDM-UHFFFAOYSA-N 466.497 5.371 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604496846 WHECQDQDIRDZKP-UHFFFAOYSA-N 490.541 5.534 30 20 JKED Cn1c(Sc2ccc(C#N)cc2[N+](=O)[O-])nc2scc(-c3ccccc3Cl)c2c1=O 604506531 KHNBMYWDVDAMDB-UHFFFAOYSA-N 454.920 5.246 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2F)c1 609103921 IVOPBENPYNBDDD-UHFFFAOYSA-N 498.480 5.545 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)cc1 609213325 CUJOWVRFSYDLAI-DEOSSOPVSA-N 489.620 5.116 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609213511 RNDMJEWCJWMSCC-JOCHJYFZSA-N 464.566 5.056 30 20 JKED C=CCN(C(=O)CCc1c(C)nn(CC(C)C)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609338389 KRWAPGLODPFKHM-UHFFFAOYSA-N 467.595 5.339 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)O[C@H](C)C2 609355452 BSQNCNFWLFBZQS-WSNNEZGNSA-N 496.567 5.210 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 609439648 KHQMEMYCUDZETC-DFBJGRDBSA-N 455.583 5.194 30 20 JKED C=CCn1c(SCC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)nc2cc(Cl)ccc2c1=O 613816880 BZOYJMIILOGRBU-HNNXBMFYSA-N 459.974 5.077 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccncc3)cs2)nnc1-c1ccc(Cl)cc1 642004522 MUHLXZXLTGBBGN-UHFFFAOYSA-N 468.995 5.034 30 20 JKED COc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc(C)cs3)c3ccccc3n2)cc(OC)c1OC 642281711 CBRYYISSBGORBC-GOSISDBHSA-N 459.527 5.183 30 20 JKED N#C[C@H](C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281763 IHFUDNQTXHZFDY-LJQANCHMSA-N 480.376 5.817 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C[C@@H](C)c2ccc(F)cc2)cn1 726114106 VEUCODXGLRJMKP-WZONZLPQSA-N 493.608 5.115 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 726271062 RHZCFJXLTQZTQJ-GBXCKJPGSA-N 494.611 5.445 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C)c1 726397343 HQZHDOICJQUHML-IERDGZPVSA-N 474.026 5.342 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@H](C)c1ccccn1)c1cccs1 726421589 OCLMJGMTJCQWCQ-CXYDIROXSA-N 499.061 5.948 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 727628294 UNUPITHTIYLCKR-JOCHJYFZSA-N 493.032 5.604 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1cnc(N2CCCC2)nc1 727780507 OIDAZBGLUVINQU-WTKPLQERSA-N 455.381 5.167 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 727997045 ROEZAPOVBGQBSO-UHFFFAOYSA-N 457.530 6.045 30 20 JKED COc1ccccc1[C@H](C)CC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 728662396 GKAOVDWCBVBZKT-QGZVFWFLSA-N 451.567 5.166 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1 729889973 VLGKQSWIDYDRMO-GOTSBHOMSA-N 471.557 5.533 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2csc(-c3ccc(Cl)cc3)n2)c1 730565836 VVNOHWZUZLGYHP-UHFFFAOYSA-N 455.996 5.422 30 20 JKED COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)ccc1OCCOc1ccccc1Cl 730589032 RXUIUYUDLOFMKE-RMKNXTFCSA-N 479.916 5.033 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cocn1)c1cccs1 730729431 MGGMCCBWEUVUJR-PEIXWMAYSA-N 490.610 5.479 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 731061381 RXZHYNIRQYPWBF-GFCCVEGCSA-N 479.410 6.398 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1[C@@H](C)c1ccccc1 731068476 ACSNHQUSTIQPBK-PMACEKPBSA-N 475.614 5.904 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1N(C)c1ccccc1 731072730 OKFCVCQWLGBAKH-LJQANCHMSA-N 459.571 5.502 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(Br)cc2F)cc1 731109966 UQBVNSNTPNUJOZ-NRFANRHFSA-N 452.327 5.608 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(SC(F)F)cc1 731304592 WBIQSKHQZHDJIF-KRWDZBQOSA-N 465.547 5.077 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1C1CC1)c1ccc(Cl)cc1Cl 731316255 UVZXVCBNJLNLNA-YOHGXGERSA-N 478.401 5.251 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(C3CCCC3)C2=O)cc1 743526534 VUDUTJGLMVZKMY-JOCHJYFZSA-N 467.566 5.240 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCc3nccs3)C2=O)c1 747601341 GIMDUCHEPVZPHF-OAQYLSRUSA-N 478.643 5.271 30 20 JKED C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)C(C)(C)C(=O)N2)[n+]1ccc(C(CC)CC)cc1 763109159 SCQITHBDBQTDOY-UHFFFAOYSA-O 450.628 5.094 30 20 JKED C=CCOc1c(Br)cc(/C=C(/Cl)c2nc(O)c3cccc(C)c3n2)cc1OC 810239217 SIOUTFOTOZJQII-MHWRWJLKSA-N 461.743 5.717 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)nc(O)c2C#N)cc1 824941896 SSJQIMVBIVRGSX-HNNXBMFYSA-N 462.575 5.146 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)nnc1-c1ccncc1 824963563 QXMPNFWVVYXTCE-IBGZPJMESA-N 457.603 5.529 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccs2)cc1 837912657 NAXIYBPNTRTJNB-JOCHJYFZSA-N 479.627 5.480 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(F)cc1F 838577442 CTDCEKBMJPWMBQ-NRFANRHFSA-N 491.560 5.133 30 20 JKED Cc1nc(SCC(=O)O[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)c(C#N)c(C)c1C 856692861 OBQADVINKFXAPX-GOSISDBHSA-N 489.622 5.732 30 20 JKED C=CCN(C(=O)c1c(C)nn(Cc2ccccc2)c1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 896489732 YEYYCQGLRFNVBO-UHFFFAOYSA-N 493.976 5.758 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccco2)ccc1Cl 914495926 MCTHKMPNGFOILW-MRXNPFEDSA-N 493.412 5.801 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccccc2COC(C)C)C1=O 914539692 GRUWUBKUYCYSHZ-HXUWFJFHSA-N 494.444 5.186 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C)cc1 914547410 OLQYFBPFUPDAON-DEOSSOPVSA-N 473.598 5.302 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694743 UCRNOBWPOJXKCQ-OPAMFIHVSA-N 481.549 5.019 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)Cc3ccco3)C2=O)cc1 914694987 ZXXWKXGXNQRNGB-QMHKHESXSA-N 493.560 5.213 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)c1 915086485 LCKBTRFWMUMIAI-NDEPHWFRSA-N 491.547 5.620 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915786030 AJFJOWRMLIVFQE-QHCPKHFHSA-N 490.401 5.137 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCCC2)C1=O 916205894 USIFQAFUQGLBIF-FQEVSTJZSA-N 475.973 5.391 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccccc2)c1 916206796 VUHHVOXIYXCKEJ-XMMPIXPASA-N 487.581 5.058 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccccn2)C1=O 916212922 UNUMDAFOMDOSJC-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2C2CCCC2)cc1 916214524 OCXTZGMBAOQCBJ-HSZRJFAPSA-N 479.602 5.191 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(C)c1 916216164 QQUGOTQAOIXSEK-GOSISDBHSA-N 480.417 5.217 30 20 JKED CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1OCC(=O)N1CCCC1 916680469 HTWASQOLFUTWFX-SXOMAYOGSA-N 496.611 5.616 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 916720703 MPKPIZILSIABAA-UHFFFAOYSA-N 467.525 5.865 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 916918950 SXOLAFIGVXPUBR-AZUAARDMSA-N 494.378 5.346 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 916931342 QLCYDOZAEQJUTQ-NRFANRHFSA-N 455.489 5.263 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 916973960 AXFXJOUMZFJKIL-QUCCMNQESA-N 483.515 5.362 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C 917424214 GOZVBSMERCRWGS-GFCCVEGCSA-N 481.883 5.555 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCc3cccs3)C2=O)cc1 917673318 WWAOVQALHWYRNO-QFIPXVFZSA-N 478.643 5.017 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 919251126 OTAXLOPKBJZSLY-UHFFFAOYSA-N 495.004 5.372 30 20 JKED COc1cc2c(cc1NC(=O)COC(=O)[C@H](Oc1ccccc1C#N)C(C)C)oc1ccccc12 919637560 OMMNSMFAMPEZFA-AREMUKBSSA-N 472.497 5.052 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2nnn(-c3ccc(C)cc3)c2C)cs1 920067027 APVHECOXRUNZCE-MDWZMJQESA-N 477.977 5.575 30 20 JKED C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1 920108674 XSQRDKFBALMMBX-SJCJKPOMSA-N 456.436 5.861 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccccc1Oc1ccccc1 920108686 IUOJBQVNSLMRMD-QGZVFWFLSA-N 493.997 6.207 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 920109433 FZGHOAODPXJJHB-IERDGZPVSA-N 489.984 6.117 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1 920109942 WVYUUQWCAVYXAG-HNAYVOBHSA-N 453.951 5.273 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc2ccccc2n1C(F)F 920112709 HTFBQVAKHIUBCB-LJQANCHMSA-N 484.462 5.849 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)[C@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)nc(O)c23)C1 920140762 JLWZGWMWUHKTFU-KDOFPFPSSA-N 499.621 5.326 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3c(C)noc3C)C2=O)cc1 920353386 ILBIHGVZEYQYHR-JOCHJYFZSA-N 497.020 5.722 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2c(C)noc2C)C1=O 920356861 VSNKYYRMUJUTRJ-QHCPKHFHSA-N 492.601 5.241 30 20 JKED Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807080 XLGAQLSZDKFAAM-PXNSSMCTSA-N 467.541 5.418 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1C 920854207 KGVDFIDKCYUMME-AREMUKBSSA-N 459.553 5.988 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3ccccc13)C2 1779354863 HLYPBEJHPVIGJC-GGXMVOPNSA-N 490.720 5.018 30 20 JKED CO[C@](C)(C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)S)CCC2)cc1)c1cccc2ccccc12 1785814515 BJWCMVPIZJNZBW-DWXRJYCRSA-N 462.615 5.154 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)COc3ccc(OC)cc3)cc2)CCC1 1785980120 IGUXGTNYAQOUFL-UHFFFAOYSA-N 450.579 5.201 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786102937 DOEHAYLYQLSPRF-MHZLTWQESA-N 499.627 5.238 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CCC2)cc1 1786358552 UDMOUONLQFAQDC-FQEVSTJZSA-N 492.579 5.016 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3scnc3C)cc2)CCC1)NC(=O)OC(C)(C)C 1787425346 UTWHKGLITGGTBR-HXUWFJFHSA-N 498.649 5.059 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccsc4)cc3)CCC2)c1 1788186417 YCGYBYNPBHRNHI-UHFFFAOYSA-N 459.571 5.009 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1789015546 BZCXLFGQCYUTKX-UHFFFAOYSA-N 489.616 5.304 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789932440 NHZYYHLWVOWTCS-DEOSSOPVSA-N 459.615 5.451 30 20 JKED CC(C)(C)n1ncc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)c1Cl 1790285674 OMUITZGZNMIQFB-UHFFFAOYSA-N 475.980 5.225 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(OC)ccc4o3)CCC2)cc1)C(F)(F)F 1791303165 PFLLHZHDFUADSG-UHFFFAOYSA-N 458.436 5.308 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Br)cn34)CCC2)cc1 1791728896 DXKVNZUANCLKIH-UHFFFAOYSA-N 493.405 5.038 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ccn4)CCC3)cc2)c1 1792124799 IPYACBGSFNHGBC-QGZVFWFLSA-N 458.949 5.424 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)ccn4)CCC3)cc2)c1 1792125028 QKQHEYKPLGHMDY-KRWDZBQOSA-N 492.501 5.789 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792205344 WMBDYTSXVCRSFP-AJSBUHFISA-N 483.653 5.416 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccc(Br)cc34)CCC2)cc1 1792266961 CUMYALXUYHKAHY-UHFFFAOYSA-N 476.374 5.158 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCNC(=O)OC(C)(C)C 1793005272 PJCMVCBUFSPZEC-BKFWDETESA-N 489.701 5.074 30 20 JKED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799147812 RMAIJCNRHDCOMD-FXKZBUDASA-N 467.660 5.103 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1 1800851469 MJZSHSGEISVKTK-BKFWDETESA-N 471.507 5.069 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3sccc3c2O)cc(C(F)(F)F)c1 1801054845 DNJVNYQNGQNKRX-BCDXTJNWSA-N 499.514 5.063 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1803079883 QIAPMNBHQLDUEN-JHMXWDHMSA-N 463.647 5.037 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(F)c(C(F)(F)F)c2)C3)c1 1803682859 RAYWXIWVMHMNPE-GAZPGATBSA-N 473.470 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1 1804865945 DIKHZCHCXOGGNR-REWPJTCUSA-N 450.627 5.019 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C4CCN(c5ccccc5)CC4)C3)CC2)c1 1805439462 SLGZOGAXIOATOT-XMMPIXPASA-N 498.671 5.075 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@H]1c1cccnc1 1806449079 BVLJECFIKVYBBL-OUJCMCIWSA-N 469.576 5.129 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1806591940 XHKOKFCJJHMNKG-URXFXBBRSA-N 487.566 5.341 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC3(CCCN(C(=O)CCCOc4ccc(Cl)cc4)C3)CC2)c1 1806722943 UTMHSYJLBJFOCS-UHFFFAOYSA-N 497.998 5.055 30 20 JKED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@@H]2c2cccnc2)CCC1 1808488235 VDUJCYLXJQFOSH-YKSBVNFPSA-N 488.975 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1810175858 OMKTYUTYPHTOAC-XFAFFCHDSA-N 463.597 5.018 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3ncccc23)[C@@H]1c1cccnc1 1810273930 YJDDHGYRAANYBS-NEKDWFFYSA-N 498.703 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cccc4c3OC(C)(C)CC4)C2)CC1 1810716974 TXMORDGBNONFAE-UHFFFAOYSA-N 464.650 5.403 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1811695989 AIZGYTCGIDPYIM-DYESRHJHSA-N 490.431 5.406 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)cc2c1 1814738479 HKNQWAKJNFSBKS-VWLOTQADSA-N 480.572 5.010 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1814826908 KBIXMRZRZZMAEK-LJQANCHMSA-N 484.025 5.747 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c(F)ccc(F)c2F)n[nH]1 1815496610 TXVBFTPFMWSCIE-IBGZPJMESA-N 462.516 5.054 30 20 JKED Cc1ccsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1816350755 FCHYECBIACOTKN-FQEVSTJZSA-N 477.590 5.058 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cc2cccnc2s1 1818571363 UZNDFPZMJBVNHT-FQEVSTJZSA-N 489.988 5.030 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1)c1ccccc1 1819518689 CGLUNGMGCFSQKO-AHKZPQOWSA-N 491.595 5.461 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3nc(C)sc13)CC2 1819599966 PHBXHORVWPNDEX-JKSUJKDBSA-N 466.632 5.055 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)n[nH]1 1820212297 HDWLPUUVFVGROI-SPLOXXLWSA-N 498.052 5.114 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3c(Cl)c2OC)n[nH]1 1820237545 NHMFKUBRBPLUOF-OAQYLSRUSA-N 478.980 5.334 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)CC1 1820976969 DUNKZGVHHVXBPG-DEOSSOPVSA-N 475.637 5.513 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4cccnc4)cc3)n[nH]2)c1 1821007951 CNXYFIIQCSNPTM-AREMUKBSSA-N 490.567 5.272 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1)c1ccccc1 1821178778 GPWXITVVSOMXGO-AZGAKELHSA-N 469.589 5.221 30 20 JKED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2cccc3ccccc23)n[nH]1 1821349792 VAIUDTLRAKTHCD-HSZRJFAPSA-N 464.525 5.294 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc3ccccc3o2)n[nH]1)c1ccccc1 1821404955 KRAJJIWSCXFBGX-REWPJTCUSA-N 481.556 5.054 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)n[nH]1 1821788012 HETKZPPIQAIJIE-OICBGKIFSA-N 489.664 5.300 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1)C(F)(F)F 1821994571 XFEJKEOVGREZHP-OAHLLOKOSA-N 494.823 5.506 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1)c1ccc(O)cc1 1822021184 LJOFSRMEQXAXHR-SHRZGDLGSA-N 488.632 5.131 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3F)[nH]n2)c1 1823216597 XGGFFFOTGSVZKC-UUOWRZLLSA-N 473.552 5.115 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC(F)(F)C2)CC1 1823692497 GBGDQFYQKMJBIB-VXKWHMMOSA-N 466.689 5.093 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)CC2)c1Cl 1823781919 KMZDXMCMFLGECF-XMMPIXPASA-N 476.020 5.177 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(OCC(C)C)c2)CC1 1824141656 ZBERZSITZZXGBD-RUZDIDTESA-N 467.654 5.118 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(O)c3cc2OC)CC1 1824143654 PRRXOHUVKCMGSV-SANMLTNESA-N 490.644 5.556 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1824499788 NGAOOXCVTGOJEA-HHHXNRCGSA-N 491.676 5.122 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1824508168 BAMMFRXVCYGNSB-GAJHUEQPSA-N 491.554 5.011 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)CC2)cc1C#N 1824863277 KARICCOSTDVGHL-XNMGPUDCSA-N 491.607 5.290 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1827873558 DEYBNXGVUIUFQO-MUUNZHRXSA-N 492.623 5.096 30 20 JKED COc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c2c1 1828140465 JOWDZXJVRUNREH-WTYVLRPYSA-N 498.627 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828515866 YOMIWECMGRWIAT-NLFFAJNJSA-N 469.576 5.448 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1828776751 AQNQKFLRZBHIAZ-PGRDOPGGSA-N 467.660 5.034 30 20 JKED CC(C)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CCC1 1829693225 XKXUICVWOBLDKY-QFIPXVFZSA-N 456.030 5.271 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1)NC(=O)OC(C)(C)C 1830063870 GFJRTFPMUNQMHS-DQEYMECFSA-N 497.680 5.088 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)S)CC2)cc1 1830676434 SZJGHBFMWHJKOB-CJFMBICVSA-N 450.648 5.214 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1830766267 DJNIRDFDKPDBGX-JOCHJYFZSA-N 485.415 5.116 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1831370655 NWEMIMUHTVKYOK-VGSWGCGISA-N 486.454 5.376 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)c1 1831748450 JWUUOXBFZOMZRG-SXBBHYFQSA-N 499.508 5.061 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831842595 PIDPWYYYHWUTGW-IERDGZPVSA-N 467.660 5.001 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1832631745 HMTFXLZGTDDMFD-GAJHUEQPSA-N 499.442 5.563 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 1835682554 YVKGGYJJJGXBFT-GOSISDBHSA-N 484.493 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4ccoc34)CC2)CC1 1838424644 SPJLWTXDFLXODU-UHFFFAOYSA-N 452.595 5.037 30 20 JKED CC/C=C(\C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1838673058 CVMCCYFHNZDJIY-HCBMXOAHSA-N 484.640 5.055 30 20 JKED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845546539 VWRVNSAMQGJYKQ-OAQYLSRUSA-N 470.569 5.040 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccccc2Cl)cc1 8752783 JNNCNETYAXINIK-GYCJOSAFSA-N 484.025 5.131 30 20 JKED CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccc(Cl)cc1 9071193 ZKASPVXMJGZPPA-ZDUSSCGKSA-N 472.039 5.407 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10171006 DBVXYMVKRTYGIU-UHFFFAOYSA-O 494.061 7.095 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174205 NVUCTJVJODGSCM-UHFFFAOYSA-O 479.569 6.164 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 10174260 SWHLGIUCYPRUHG-UHFFFAOYSA-O 486.060 6.832 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1cc(Cl)cc(Cl)c1 10178989 SNYWULITUWJPHX-UHFFFAOYSA-O 499.270 7.201 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179409 IYCHNHIFLHHFJU-UHFFFAOYSA-O 478.490 6.963 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Br)cc2)nnc1-c1ccc(F)cc1 10498603 XFOABWVZDVGLTJ-AWEZNQCLSA-N 475.387 5.002 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10757284 PFRYMVSDKFGRQL-UHFFFAOYSA-O 482.815 6.687 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccc(N(C)C)cc2)c1 14872036 ZNHJVLKRCROTAT-UHFFFAOYSA-O 483.455 5.416 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(CO)c2)cc1F 14872401 TYDGZMSNXCDQOG-UHFFFAOYSA-O 471.577 5.632 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 14872513 FPQSHSUCZLKZBK-UHFFFAOYSA-O 494.946 5.643 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 21787018 UYJZGLBLPCQPFR-UHFFFAOYSA-N 465.937 5.035 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)nnc1-c1ccoc1C 21989323 JQIHWLLGAWMPHV-UHFFFAOYSA-N 492.215 6.377 30 20 JKED Cc1sc2nc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)n(C3CCCC3)c(=O)c2c1C 22101793 RXHBIDZEYZADTK-SFHVURJKSA-N 480.659 5.617 30 20 JKED CCCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O 23528235 HPNUUSZSYNIDCT-HNNXBMFYSA-N 454.983 5.231 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(CO)c1)c1ccc(Cl)c(Cl)c1 24033662 BOEIRIOYIJAMIO-UHFFFAOYSA-O 482.412 5.977 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)C2(c3ccc(Br)cc3)CC2)n(C2CCCC2)c1C 26433890 QUWMBVJZAOOPBT-UHFFFAOYSA-N 484.394 5.068 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1 57626387 GVRMNZYZDXYMSN-UHFFFAOYSA-N 462.358 5.022 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccccc1)c1cc(Cl)ccc1Cl 71793481 QEGNHJBZRFAMIS-UHFFFAOYSA-O 452.386 6.485 30 20 JKED C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)C(=O)Nc1ccccc1C#N 102050343 HFLGSRIDQNQGQX-UGDGIKRESA-N 477.520 5.760 30 20 JKED N#C[C@H](C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1nc(-c2ccccc2)cs1 105387456 VZZWFFMMLZQJIR-GOSISDBHSA-N 477.640 5.357 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccccc1F 195569103 HDSGVUZAPJGKKP-UHFFFAOYSA-N 452.599 6.248 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)sc2c1CCCCC2 255936707 CYGGJADUQCVJJY-UHFFFAOYSA-N 476.530 5.271 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 302959455 GDPJVBDUHPDLLZ-UHFFFAOYSA-N 482.609 5.693 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)N3CCc4sccc4C3)cc2Cl)c1 303210570 QYDAOZOBGVACIX-UHFFFAOYSA-N 479.989 5.156 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3cccs3)C[C@H]3CCCO3)cc2F)c1 481655176 IGJZJWMBFMLXBR-OAQYLSRUSA-N 465.550 5.551 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OC(F)F)c2)nnc1-c1ccc(Cl)cc1Cl 482210387 JXQKVWXECFIIRH-UHFFFAOYSA-N 485.343 5.770 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)c2)cc1 482900899 RESNPNWPHDIOJF-UHFFFAOYSA-N 467.447 5.458 30 20 JKED COc1cc(-c2nnc(SCc3ccc(F)cc3C#N)n2-c2ccccc2F)cc(OC)c1OC 483074172 SFSFFLORGBUADS-UHFFFAOYSA-N 494.523 5.402 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(OCc3ccccc3F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 494517896 DVGQIZXLRYVQTO-UHFFFAOYSA-N 485.475 5.342 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(C)C)cc2F)nnc1-c1ccc(Cl)cc1 497891733 WKACQLPREKHCOO-UHFFFAOYSA-N 460.962 5.442 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1cccs1 499301528 PUWXTXWEWWQEDW-SAJDGTNDSA-N 477.659 5.801 30 20 JKED CCCc1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1Cl 501309145 JGAHZSBMDDLMOI-ZDUSSCGKSA-N 454.868 5.108 30 20 JKED CN(Cc1ccccc1F)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502873477 AXEPOAXSVYLLMH-UHFFFAOYSA-N 480.771 5.370 30 20 JKED Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1 503149692 DZPKMNUZQOIWIP-ISKFKSNPSA-N 486.959 5.148 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCCSc3ccc(F)cc3)s2)cc1 510243616 RVTYXCUAQYIBRI-UHFFFAOYSA-N 459.597 5.145 30 20 JKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCCSCc2ccccc2C#N)cc1 510525120 SHHWETUSUUNLMB-UHFFFAOYSA-N 479.005 5.543 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2nnc3ccccn23)CC1 510856518 GLIYGIHQPYWPAQ-UHFFFAOYSA-N 452.518 5.113 30 20 JKED C=CCn1c(SCC(=O)NC[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 512920970 GCOWUSXQFDLGMV-CQSZACIVSA-N 479.408 5.589 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 514160028 JWTLHYLSUDWVSC-UHFFFAOYSA-N 456.489 5.722 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nc2sc3c(c2c1=O)CCC3 514292180 AYLVBRSNYPUGIZ-MRXNPFEDSA-N 467.660 5.684 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 514294521 YGSVMGNKXPUORF-ZDUSSCGKSA-N 481.380 5.608 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)C(C)C)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 514432015 RSRAVRZAWVCZMC-UHFFFAOYSA-N 495.453 6.132 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1ccc(Br)cc1 516270230 QERHUZORINCMND-LJQANCHMSA-N 488.370 5.428 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1OCc1ccccc1 516713648 DYHXVDBMBZPDAY-QFIPXVFZSA-N 495.560 5.768 30 20 JKED Cc1ccccc1-c1cc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)n(Cc2ccccc2)n1 516767635 XPFHWZMMALULAT-UHFFFAOYSA-N 489.583 5.009 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519989845 RUHGEPPDMMSVFY-UHFFFAOYSA-N 469.520 5.976 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(I)cc1Cl 521327037 NNFDTXZWLWPDMG-LLVKDONJSA-N 456.736 5.591 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521793211 ZOLQTHUCEQBVMZ-UHFFFAOYSA-N 491.473 5.748 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 524154737 CDTPXWFYPGVQSX-UHFFFAOYSA-N 497.517 5.486 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(OC)c1OC 524439999 TZSHANNRMQGLKE-MRXNPFEDSA-N 495.963 5.699 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCOc1cccc(Cl)c1Cl 561333421 OBZXGBOUJCWLGU-UHFFFAOYSA-N 456.329 6.159 30 20 JKED COc1ccc(-c2noc(CCCC(=O)N(Cc3ccccc3)c3ccccc3C#N)n2)cc1 567639882 ZJVSIAZZQARJCE-UHFFFAOYSA-N 452.514 5.173 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(COc3ccc(Cl)cc3Cl)o2)sc2c1CCC2 589943931 WJZUNZNSWUNLNG-UHFFFAOYSA-N 495.413 5.498 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)n(-c2ccccc2)c1C 590616820 VBSWCLMHAKURHO-KRWDZBQOSA-N 471.586 5.426 30 20 JKED CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603765896 CCIOGDFQFIXDEO-JYFHCDHNSA-N 459.977 5.317 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1-c1cccc(Cl)c1 603921040 LFZRXTCDOYCFTN-UHFFFAOYSA-N 456.933 5.732 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccccc2I)cc1 604003902 LNQSEAJJHWILOI-UHFFFAOYSA-N 468.294 5.189 30 20 JKED CCC(CC)[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccs1 604025767 YNRKBQOCIUNVDP-NRFANRHFSA-N 452.580 5.378 30 20 JKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604141526 IVCLCPOHSJIRTJ-GGAORHGYSA-N 475.976 5.665 30 20 JKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)n1 609110900 YQKNAJHVTKEYEV-UHFFFAOYSA-N 475.911 5.380 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 609371227 PJCQSHOENXGSCI-UHFFFAOYSA-N 469.801 5.021 30 20 JKED COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc(OC)c1Br 609378598 QVIURNPJZUZJCC-UHFFFAOYSA-N 489.313 5.743 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 609400667 QUCZLSQMDUOCCM-XMMPIXPASA-N 475.639 5.477 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)nnc1-c1ccccc1 613808995 LBEYIOXLVYPRKV-UHFFFAOYSA-N 472.536 5.433 30 20 JKED O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618464270 GGYSUGFSSFBXCQ-IUCAKERBSA-N 463.749 5.110 30 20 JKED O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 619659059 OTZNZELWBPKVJG-YUMQZZPRSA-N 461.321 5.032 30 20 JKED Cc1c(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)nnn1Cc1ccc(C(F)(F)F)cc1 622572545 MGKRVXQLKDAWJN-UHFFFAOYSA-N 494.342 5.526 30 20 JKED N#C[C@H](C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642281990 ABSDLMFQGVBVBY-GOSISDBHSA-N 477.471 5.598 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2sccc2C)cc1F 726410825 DXEVUAYAXDVYMR-NRFANRHFSA-N 497.617 5.042 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2sccc2-c2ccc(C)cc2)n1 726877481 MZFKZBWMIXFPAV-UHFFFAOYSA-N 453.618 5.089 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3[nH]ccc23)c1 726948502 VVRIRXRVZVPATL-UHFFFAOYSA-N 465.962 5.455 30 20 JKED Cc1c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727266610 AWRPXLYGVTZJJE-ZHACJKMWSA-N 469.457 5.264 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccccc1-c1ccccc1 728109484 RGIZICXYDRLSMH-LJQANCHMSA-N 466.493 5.581 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(CCCCC#N)C2=O)cc1 728777903 AGHQLTCTDMVWCX-XMMPIXPASA-N 490.629 5.667 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)c(C)c1 729142358 KMMCSOMDJZSNCD-NRFANRHFSA-N 489.626 5.101 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2scnc2C)c1 729144612 VWZWDICIDOKLPA-HXUWFJFHSA-N 499.061 5.882 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)cc1F 729146056 OODVNKWOAGAKKG-IBGZPJMESA-N 486.569 5.199 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(F)c2)cc1OC 729244818 JRXUDNFFIXSLQG-WACLHSAUSA-N 464.512 5.585 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ncccc1C 729634618 PAYYALGKJZDDDU-QHCPKHFHSA-N 494.567 5.391 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 729669305 WKGQHAAEBNPRTH-UHFFFAOYSA-O 489.976 5.495 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(Br)ccc2c1Cl 729889586 QPJUJKIKQWMHAC-CYBMUJFWSA-N 477.767 5.677 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(C3CCC3)C2=O)c1 730462143 WUHBFXITILHGJT-XMMPIXPASA-N 489.597 5.370 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(C2CCC2)C1=O 730462882 QOESPFJYVLZMOS-MFGGBOIGSA-N 478.039 5.352 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1cccnc1 730942301 MBGLNDYVGBHQES-AOMKIAJQSA-N 480.540 5.390 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cl)s2)C1=O)Nc1cccc(O)c1 731307838 VPVGRTNUJRGLAU-SFHVURJKSA-N 471.991 5.268 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)c(Cl)c1 745989469 TYAJNTQYVXRKKZ-NRFANRHFSA-N 479.005 5.512 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(C#N)ccc3C)c2)cc1C 746526831 QOHJHCHBOSGVFS-UHFFFAOYSA-N 453.951 5.190 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)c(C)c1 747598368 AVMANBYIBUEEKX-FQEVSTJZSA-N 482.606 5.102 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(CCc3nccs3)C2=O)cc1 747599486 JSSCVBCTAMCDCR-OAQYLSRUSA-N 478.643 5.271 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(N2CCCCC2)n(C2CC2)c1=S 749246362 OKUROKOXTGIZMV-UHFFFAOYSA-N 480.451 5.287 30 20 JKED O=C(COC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F)Nc1ccccc1-c1ccccc1 756282338 PGACEIYGJQRUFX-PFONDFGASA-N 468.431 5.206 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1nc(-c2ccccc2)cs1 796169315 AKAOVGBPYXKQAL-OAQYLSRUSA-N 497.605 5.678 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CC(F)(F)F)C2=O)c1 799214109 GNJPYDAERDWHJF-QGZVFWFLSA-N 487.906 5.619 30 20 JKED CC(=O)N(c1nc(C=NNc2ccccc2Br)cs1)c1ccc(F)cc1F 812462316 MCTCNMSWKQNNFQ-UHFFFAOYSA-N 451.296 5.314 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 837422653 MTWWXWFKTUJHQA-XXBNENTESA-N 458.587 5.420 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837741370 WRFJVRSTFPKYNU-VGOFRKELSA-N 462.550 5.251 30 20 JKED C=CCOc1c(Br)cc(CNc2ccc(N=S(C)(C)=O)cc2)cc1OCC 864013201 MVEYJLURHDBMNQ-UHFFFAOYSA-N 453.402 5.384 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C 914541369 QPFLFFFVULUFLU-DEOSSOPVSA-N 491.588 5.441 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)sc2nc(C(F)(F)F)ccc12 915085469 MLGNSVJZRBDVDC-LJQANCHMSA-N 451.473 6.531 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915180253 MZANVPVLRAPVKN-NRFANRHFSA-N 490.357 5.392 30 20 JKED CSc1ccc([C@@H](CNC(=O)Nc2cccc(OCC#N)c2)N2CCc3sccc3C2)cc1 915711179 YVWJEKDZYRILTA-HSZRJFAPSA-N 478.643 5.293 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916209134 FMAXQQDYAYWMCU-QFBILLFUSA-N 478.401 5.133 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(SC(F)F)cc1 916214917 QRDQIVZIWVRPEH-KRWDZBQOSA-N 467.538 5.511 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC2)C1=O)Nc1ccccc1F 916215925 ZNYRRRHNWFUIOT-KRWDZBQOSA-N 465.522 5.263 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1c(F)c(F)nc(F)c1F 916325498 QHVVXFHZDDHFLW-UHFFFAOYSA-N 451.733 5.250 30 20 JKED Cc1ccc(N(CCC(=O)[C@@H](C#N)c2nc3ccccc3s2)S(=O)(=O)c2ccc(C)cc2)cc1 916627202 FGFMREAHXJARKM-JOCHJYFZSA-N 489.622 5.375 30 20 JKED N#Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2SCc2cccs2)cc1C(F)(F)F 916780277 PVFGSMVEUDNTFX-UHFFFAOYSA-N 482.530 5.050 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)c1nc(O)c2c3c(sc2n1)CCCC3 916847106 LRYCGRKCPLTJCQ-IBGZPJMESA-N 455.539 5.268 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1csc(COc2ccc(C)cc2)n1 916911125 ZHKBJCHRGZNHFG-QFIPXVFZSA-N 461.587 5.045 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916932454 VWEAAACUFJTABH-HXUWFJFHSA-N 464.308 5.405 30 20 JKED C=CCn1c(SCC[S@](=O)c2cc(Cl)ccc2Cl)nnc1[C@H]1COc2ccccc2O1 917176524 ZPQQMNGAOPSFTD-OKXSDPAFSA-N 496.441 5.183 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 917424183 FOKDJLOKFBGDQR-INIZCTEOSA-N 490.343 5.716 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cn1nc(CSc2nc3ccccc3s2)n(C)c1=S 917485449 QKBWOIJBJBZRFN-UHFFFAOYSA-N 483.688 5.507 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@H](C)c2cccnc2)C1=O 917697753 NBLZDURISMCFEG-DYESRHJHSA-N 452.624 5.157 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc2ccccc2c1 917698927 NCIAINFIFOBSBK-QFIPXVFZSA-N 477.973 5.095 30 20 JKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCN(c4ccccc4C#N)CC3)[C@@H]2c2cccs2)cc1 918575965 VUSKSAYAAIBMQL-UFHPHHKVSA-N 498.652 5.151 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918672774 UOTNTNUGNJDQMT-MVKOGCTQSA-N 453.732 5.961 30 20 JKED C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1Cl 919088526 LMCAEAMGKVAYGH-CYBMUJFWSA-N 460.317 5.634 30 20 JKED Cn1cc(/C=C\C(=O)c2ccc(-c3ccccc3Br)s2)c(-c2ccncc2)n1 920065803 LYGNBEZJEGGMQV-SREVYHEPSA-N 450.361 5.869 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 920355190 IZNUJZBUWOBEJH-HXUWFJFHSA-N 486.956 5.244 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3c(C)noc3C)C2=O)cc1 920357694 ZKTOXGKCJDGSTP-HSZRJFAPSA-N 492.601 5.241 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNc1ccccc1S(=O)(=O)NC(C)(C)C 920377966 KGLWNSLPESMHLE-UHFFFAOYSA-N 494.448 5.069 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)COC(C)C)c3C#N)C(C)(C)C2)o1 920718237 LXGNZXAWSSPLGQ-VQHVLOKHSA-N 468.575 5.206 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc(-c2c(F)cccc2F)cs1 920804556 VKIPEWWTHLSNGM-AWEZNQCLSA-N 471.435 5.831 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805900 HALBXFITXWINQL-SMDDNHRTSA-N 479.371 6.208 30 20 JKED C=CCCO[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 921164986 DZHNQTGZPPOCOP-OAHLLOKOSA-N 470.563 5.030 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)cc1 1785786969 HTANHSRNNUQKHB-UHFFFAOYSA-N 479.367 5.250 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4cccnc4)c3)CCC2)cc1 1785840786 GBFMYDYJKJDQSC-UHFFFAOYSA-N 457.578 5.007 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CCC1 1786028370 FZLBYFYHTHDWFR-BJKOFHAPSA-N 450.554 5.046 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786104494 VOTLJUNUHQGETQ-NRFANRHFSA-N 495.664 5.536 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c(-c5cccc(OC)c5)c4)cc3)CCC2)C1 1787038093 REEWDJVCAYLBHL-UHFFFAOYSA-N 455.558 5.404 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CC[C@H]3CNc4ccccc4C3)cc2)CCC1 1788067754 OPBMGNOMPGYLMM-LJQANCHMSA-N 467.560 5.397 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(Cl)c4)CCC3)cc2)c(C(F)(F)F)n1 1788356557 VNWKTSFXMUWPCJ-UHFFFAOYSA-N 499.880 5.082 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cnc(C)s3)cc2)CCC1)c1ccc(O)cc1 1788867077 MDVMVZAOHDYAIX-FQEVSTJZSA-N 473.598 5.102 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccccc5n4)cc3)CCC2)c1 1788891975 IWUSEVWHCHMSHR-IBGZPJMESA-N 475.552 5.318 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)ccc4s3)cc2)CCC1 1789287900 BKRHDNFTMGRSDU-UHFFFAOYSA-N 468.376 5.325 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790092144 RQVMKCYXXLYIEP-UHFFFAOYSA-N 480.948 5.343 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occc4n3-c3ccccc3)CCC2)cc1 1790565736 BEYZNQYCMKDDFI-FQEVSTJZSA-N 498.583 5.772 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3F)cc2)CCC1 1790586501 YWQVTAFDGKWITK-SFHVURJKSA-N 481.568 5.163 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nn4)CCC3)cc2)cc(C(F)(F)F)c1 1790785113 MGEQBMAPJXNEMS-UHFFFAOYSA-N 499.880 5.082 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@H]5SC=C[C@H]54)cc3)CCC2)cc(C(F)(F)F)c1 1791090385 FBMZERPITHYGLO-HBMCJLEFSA-N 483.515 5.200 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(OC)c3)CCC2)cc1 1791584756 XRIUGEAIKARPPK-UHFFFAOYSA-N 469.379 5.009 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccnc3ccc(Br)cc13)C2 1793052693 LIATVABEEDZYEZ-ACDBMABISA-N 482.422 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)C2 1798340184 PNTBUXSWONAHER-XMTFNYHQSA-N 454.920 5.379 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1)c1ccc(O)cc1 1799328249 AOLXATMJSMFROR-UVUJQTEASA-N 490.987 5.241 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1ccccc1 1799550896 IOMYCJYIVDFGIM-KGGVMIFGSA-N 486.593 5.231 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cc(Br)ccc3c1)C2 1801695108 FTQSZBOOEYREGO-ACDBMABISA-N 477.349 5.066 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Br)c(C#N)c2)C3)CC1 1801815610 RQYUVPMFAAYTLG-UXUYGWKFSA-N 486.454 5.179 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1803086261 HKJCRJKTEBFKHJ-NVQXNPDNSA-N 498.652 5.637 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1804179414 PPMHFILXRKLFLT-GIGWZHCTSA-N 487.669 5.101 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)C1 1804857759 XTXDCDLHCPYMDI-UHFFFAOYSA-N 456.030 5.659 30 20 JKED Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(OC(C)C)c(C#N)c4)CC3)C2)cc1Cl 1805083556 WAWXWAIMGZFHLH-UHFFFAOYSA-N 494.035 5.466 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1)c1cccs1 1805391443 BLQXKHQSIJCIIY-IAPPQJPRSA-N 491.616 5.176 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@@H]1c1cccnc1)C(F)(F)F 1806449382 CXJUEDCGRNLLAP-DWJNZPNVSA-N 473.539 5.036 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)CC3CCC(C)(C)CC3)[C@H]2c2cccnc2)c1 1808901585 LOOHVKQXAUXOME-RSYZWFLXSA-N 486.660 5.635 30 20 JKED Cc1cc2cccc(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)c2[nH]1 1809272535 GZFMEYFDUSUIEK-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809441964 RDKSMWPXKOHBRP-KBMIEXCESA-N 498.048 5.252 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc(OC(F)(F)F)cc4)C3)CC2)c1 1809476715 MQIMCWSOBGWCKE-JXMROGBWSA-N 497.517 5.015 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1810175497 ZDZQVUSIBHCHIF-SLQPCKNISA-N 468.601 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c(C)cc2OC)[C@@H]1c1cccnc1 1810503251 OZMROERIGMQOAK-RCZVLFRGSA-N 463.622 5.019 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)ccc3Cl)[C@@H]2c2cccnc2)c1Cl 1811132736 RYCRYHOQUFDJIT-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3[nH]c4ccoc4c3-c3ccccc3)[C@@H]2c2cccnc2)C1 1811278105 UKUOAEBRWOZJDQ-LVXARBLLSA-N 480.568 5.109 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811440731 ACECTDADVGWZDW-VAVYLYDRSA-N 483.587 5.401 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811788977 QQVOKDZXZLKOMV-HTAPYJJXSA-N 492.422 5.840 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1812933495 LUDHTXWCARXQKK-LXFBAYGMSA-N 488.607 5.109 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C\c2c[nH]c3ccccc23)n[nH]1 1815786436 XATBHYSLOOOOKD-XYSUMVETSA-N 457.578 5.365 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2scnc2C(F)(F)F)n[nH]1 1816628444 SFEUKHIZJQXDPE-AWEZNQCLSA-N 469.533 5.183 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C(F)(F)F)CCC3)n[nH]2)c1 1817195080 FDAIMSZUBFEZCC-HNAYVOBHSA-N 473.499 5.075 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](S)C(C)C)[nH]n1 1817742398 FTADVNWRRCIMHH-QPPBQGQZSA-N 477.634 5.040 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1)C(F)(F)F 1818775327 YWMRJZXKNQWDAQ-OAHLLOKOSA-N 482.915 5.702 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)Sc3cccs3)n[nH]2)c1 1819257886 LPMSPLJMFYEMIX-JXFKEZNVSA-N 479.631 5.138 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 1820503244 QMKHKRDRRUGMOL-IBGZPJMESA-N 465.381 5.005 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823660 MIZGWVWJIYMXGH-WMZHIEFXSA-N 492.023 5.460 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c4ccccc4n4ccsc34)sc2C1 1821191026 IZXZJIKEMRRYFE-LSDHHAIUSA-N 464.616 5.049 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c(Cl)c1 1821277317 UZXPBPUQOAWABF-IBGZPJMESA-N 486.334 5.347 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(C)snc4s3)[nH]n2)c1 1821323935 FKRZNFLHGJNNKE-LJQANCHMSA-N 490.614 5.189 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)n[nH]2)C1 1821787449 QJLKLAJHUPYABM-HRAATJIYSA-N 474.527 5.277 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)c(C(F)(F)F)c2)n[nH]1 1821861245 NGOPDFHARUVQCT-QGZVFWFLSA-N 488.432 5.014 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)n2C)CC1 1823751891 BZJCJHQCXXIODL-LJQANCHMSA-N 467.576 5.270 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1824500535 KENZYLIPXQKABU-HHHXNRCGSA-N 490.644 5.695 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1827331814 HGNWAWPDVOTHQQ-NDEPHWFRSA-N 492.623 5.476 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166908 UWONHAIKHXYXMX-SFHVURJKSA-N 458.027 5.338 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1828352559 ROHGNOOEXISFQB-UNCTUWKVSA-N 476.661 5.255 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2noc3ccccc23)CC1 1828905737 YKQZVYSRTDCLGM-RUZDIDTESA-N 493.724 5.041 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830511186 MZZZQZDVZUXFTH-RXFWQSSRSA-N 461.581 5.308 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)cc2c1 1830721618 KIAQDPFORLYAOB-AREMUKBSSA-N 489.019 5.549 30 20 JKED COc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1C 1830723431 IKHWLHRYWGGSJD-VWLOTQADSA-N 494.035 5.005 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)CC1 1830942926 ZJBVOGMKGQOPPL-XUZZJYLKSA-N 463.622 5.178 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831306079 PIJIVQKRUSDAIA-XNMGPUDCSA-N 489.100 5.682 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1831368871 AOGVZYCJGZGWBH-VGOFRKELSA-N 468.535 5.219 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831718585 KELDEPWTGSWCBP-PVERMEFCSA-N 487.482 5.385 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c(Cl)cc2C)CC1 1831858501 TXEGNACAORTCJI-FQEVSTJZSA-N 467.835 5.220 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(O)cc1 1831924065 ANARQNWONIAAPA-CUNXSJBXSA-N 494.582 5.101 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707587 XXIMHFBNLSYNLQ-IBGZPJMESA-N 496.467 5.810 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(F)ccc3F)CC2)c1 1832779257 CEZCPGQOFHMUTF-NIYFSFCBSA-N 479.571 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1832925380 YJUITXMZLNHQOP-HSZRJFAPSA-N 491.717 5.246 30 20 JKED C[C@@H]1CCC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1838297168 HQQNZBXBZYSNAJ-AYWVHJORSA-N 498.667 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 1838373694 FXARRKCVKFPOJZ-OAQYLSRUSA-N 479.448 5.374 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)CC1 1838424782 XSHPGZLTQYFMJX-UHFFFAOYSA-N 466.666 5.099 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC34CN(C(=O)c3ccc(C#Cc5ccccc5)cc3)C4)c2s1 1843668852 KCOQPGFCYKSBSI-UHFFFAOYSA-N 491.616 5.135 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)C1 1846896600 LCXIXBKGCPTPFH-UHFFFAOYSA-N 485.915 5.515 30 20 JKED C=CCn1c(C)cc(C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1C 3376252 JPKTVRUQJFWARM-KRWDZBQOSA-N 458.031 5.123 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10170990 FMGWAQZEKHYDFN-UHFFFAOYSA-O 453.587 6.380 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10757853 RAVJAVALQOLWAG-UHFFFAOYSA-O 454.399 6.095 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082865 BRFIVXPTSRMDFJ-UHFFFAOYSA-O 452.575 5.182 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nc2cc(Cl)ccc2c1=O 11501249 LLMJZVCHKUIOBS-OAHLLOKOSA-N 489.066 5.539 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1-c1ccc(Cl)cc1Cl 15975767 CQHFWMKVSGLXFW-UHFFFAOYSA-N 451.354 5.616 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1F 20167370 UOUDDFPNBOOTQY-CYBMUJFWSA-N 450.461 5.408 30 20 JKED Cc1cc(C)c(C#N)c(SCC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 22360755 VTEDPIIOIMLCBC-IBGZPJMESA-N 458.587 5.134 30 20 JKED C=CCn1c(S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1-c1ccc(Cl)cc1 22619487 WCVJHMVIYYZIMF-CYBMUJFWSA-N 458.012 5.553 30 20 JKED CC(C)c1ccccc1-n1c(SCc2nc3ccccc3c(=O)n2CC#N)nc2ccccc2c1=O 22674618 MALBRFUOLFRBIX-UHFFFAOYSA-N 493.592 5.035 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 22695229 NCMMORIPGOTHSR-UHFFFAOYSA-O 488.460 6.683 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc3scc(-c4ccccc4)c3c(=O)n2C)cc1 23523319 LEGMLPOPWDRZAQ-SFHVURJKSA-N 488.638 5.398 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CC)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 23998010 REOIRFBDSDMHDN-HXUWFJFHSA-N 456.999 5.153 30 20 JKED N#Cc1c(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)nn(-c2ccc(F)cc2)c1N 31118918 GKAGJDZBCAWPDC-UHFFFAOYSA-N 485.588 5.120 30 20 JKED C=CCn1c(SCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)nc2sccc2c1=O 46691285 CNZKTWZOYILDEG-UHFFFAOYSA-N 468.625 5.078 30 20 JKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccccc1 72096687 IIECHKUFOFEGLI-MUUNZHRXSA-N 475.548 5.821 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 108966753 YNUWKKMZLDUIEZ-UHFFFAOYSA-N 497.367 5.437 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 302966972 RGZMRNFSLYPAHY-LJQANCHMSA-N 467.978 5.978 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1)c1ccoc1 303091266 ZNOMEPUPDJOOHC-UHFFFAOYSA-N 460.305 5.961 30 20 JKED CCn1c(SCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)nnc1-c1cccc(C)c1 303401036 QZLLEHBDRGFPEA-QGZVFWFLSA-N 460.390 5.053 30 20 JKED C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1[C@@H]1COc2ccccc2O1 409994402 WAAKCZRPKHWFQH-NRFANRHFSA-N 492.582 5.121 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(Cl)cc1 410294569 ZTGUOSHQGOGPAZ-INIZCTEOSA-N 496.061 5.878 30 20 JKED C=CCN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)Cc1cc(Br)ccc1F 477629387 XXXPJCNKDLNNRY-UHFFFAOYSA-N 495.439 5.303 30 20 JKED N#Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)ccc1F 481414448 MYQFTDDZYOTUAB-IBGZPJMESA-N 495.341 5.372 30 20 JKED CCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1[N+](=O)[O-] 487416514 IKIXACOFKGGCKY-UHFFFAOYSA-N 476.436 5.184 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(C(=O)Nc5cccc(C#N)c5)c4)cc3)o2)cc1 490438787 YAEHGPOAQYVTHZ-UHFFFAOYSA-N 499.530 6.088 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1 502636266 QFPOZNHDTZFXFO-UHFFFAOYSA-N 482.781 5.602 30 20 JKED COCCSc1ccc([C@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 507451824 RQEDCEYVSDKMSV-DLBZAZTESA-N 457.665 5.305 30 20 JKED CCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)c1cc2ccccc2o1 507491558 LNHHMFJJVNHAQA-GOSISDBHSA-N 472.545 5.769 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1 508252197 PHSQLSBVDQTZFH-UHFFFAOYSA-N 484.556 5.094 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccoc2C)nnc1-c1ccc(Cl)cc1Cl 509781537 IISAVNKOJSVIOP-UHFFFAOYSA-N 451.379 5.090 30 20 JKED Cc1ccccc1CN1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510536772 FUIPHHNNFSJBDK-UHFFFAOYSA-N 454.574 5.754 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1F 510886958 GUBBDVZPQRFZOC-UHFFFAOYSA-N 474.536 5.238 30 20 JKED C[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 511940060 RKWWHTJSNSWDHJ-MRXNPFEDSA-N 486.952 5.121 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 512030118 YOFSFDSFXKETGD-SFHVURJKSA-N 467.664 5.358 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Br)s1 513686574 BNJQXURIHPBTHT-HNNXBMFYSA-N 499.411 6.198 30 20 JKED CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)c1nc2ccccc2s1 514879061 YQWONEQCJYONCV-UHFFFAOYSA-N 497.605 5.012 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc2ccccc12 517468004 FCDMDWMQZHGTJN-OAHLLOKOSA-N 471.504 5.680 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccco1 517468912 WQRSFIXMJBKORJ-UHFFFAOYSA-N 477.464 5.065 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 517842477 BRSIHCXMPLPDFW-UHFFFAOYSA-N 454.486 5.371 30 20 JKED C=CCN(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1cccc(Cl)c1 517984202 TWWRGFGGHBJICJ-UHFFFAOYSA-N 458.754 5.074 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(CCc1ccccc1)Cc1ccccc1 518154724 DZMHPRXQZKPGBZ-NRFANRHFSA-N 457.599 5.148 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)oc12 518748382 OJSAATOVVUARJW-QGZVFWFLSA-N 469.497 5.311 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)o1 518870963 NXOFCPSVYWMQGQ-MRXNPFEDSA-N 461.449 5.622 30 20 JKED C=CCN(C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 519514824 SVYDPXRFXHHENK-KBPBESRZSA-N 463.344 5.128 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)cs1 519947381 WIPHTUIFLNGIIB-LJQANCHMSA-N 469.614 6.004 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 521260066 URARNNFOGJDTEM-HOCLYGCPSA-N 454.596 6.392 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 521721509 IDSUZJJJWPEHHA-UHFFFAOYSA-N 461.547 5.477 30 20 JKED Cc1ccc(Cn2nc(C)c(CCC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2C)cc1 524572619 JGJSKHZTYUSKPX-QFIPXVFZSA-N 455.389 5.477 30 20 JKED N#C[C@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc(-c2ccc(Cl)cc2)cs1 589244849 RVRIFVUBMRJPKR-QGZVFWFLSA-N 453.951 6.140 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 589932166 RQXMFQBIDWTULU-UHFFFAOYSA-N 498.395 5.886 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)c2C#N)C1 603819870 PFUCAJDOIVQDPX-GFCCVEGCSA-N 471.069 5.039 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nnn1-c1cccc(Cl)c1 603962552 IESNAHZBRSEXLQ-UHFFFAOYSA-N 457.921 5.127 30 20 JKED Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1 604163112 COLKHFUZTYJXAB-UHFFFAOYSA-N 496.592 5.326 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)cc1 604288566 AMNYUKXRUOSSKI-OKILXGFUSA-N 462.419 5.200 30 20 JKED C=CCn1c(SCc2c(C(=O)OC)sc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 608845715 YYKFSHQCVZDTSG-IBGZPJMESA-N 479.583 5.270 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 609080242 ULTCXMZCYXGMPV-UHFFFAOYSA-N 491.551 5.415 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(CN4CCCCCC4)CC3)cc2F)c1 609123985 GYBURYFPAHNEPS-UHFFFAOYSA-N 464.585 5.396 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)c2)cc1 609177094 JICOIOUUBYTECH-IBGZPJMESA-N 491.494 5.443 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NS(=O)(=O)c4cccs4)c3)cc2)c1 609429546 KSTMDXVACJOAPE-UHFFFAOYSA-N 475.551 5.465 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 609433922 KUHDXBITSPLQOM-UHFFFAOYSA-N 476.577 5.052 30 20 JKED N#C[C@H](C(=O)c1occc1CS(=O)(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 613407187 KSOQMSKMHSMTLU-MRXNPFEDSA-N 456.932 5.007 30 20 JKED CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618539355 ZJMCGDBYTKUORY-QWRGUYRKSA-N 451.333 5.366 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccc(F)cc1 619086553 ZTCPYFLTLBQMNC-ZDUSSCGKSA-N 461.360 5.152 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1Sc1nc(C)nc2sc(C(=O)OCC)c(C)c12 619712833 WGLMUEPTZQRYDW-UHFFFAOYSA-N 499.593 5.132 30 20 JKED CCOc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 620289299 NJSMDOJUHQHBRD-NXEZZACHSA-N 466.344 6.135 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1OC 620760010 LQRPQVRGSLWQJP-HSZRJFAPSA-N 481.390 5.492 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)c1 620973722 WCFDYZFNRKZIKG-DEOSSOPVSA-N 497.016 5.404 30 20 JKED O=C(NCC1(c2c(F)cccc2F)CCCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623677430 LVCZUSSLOSWNGX-CHWSQXEVSA-N 458.393 5.549 30 20 JKED O=C(Cn1c(C(F)(F)F)nc2ccccc21)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642157959 MHSCOEZNBAWADG-UWVGGRQHSA-N 461.328 5.081 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)sc2nc3n(c(=O)c12)CCCCC3 642281861 UUXGLCKRNLAXQS-INIZCTEOSA-N 460.584 5.106 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1[C@H]1COc2ccccc2O1 645077656 UVGZNIGUIXOXSQ-OAQYLSRUSA-N 464.591 5.005 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 726571518 HSGLIAMYNSSKAT-UHFFFAOYSA-O 491.593 5.292 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(Cl)cc1Cl 726572081 QJHZFIORZBVLGP-UHFFFAOYSA-O 489.835 6.692 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2CC2CCC2)cc1Cl 726888720 BHSXQXAXPPIACG-NRFANRHFSA-N 488.009 5.118 30 20 JKED C[C@H]1CN(c2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2C(F)(F)F)C[C@H](C)O1 727981906 VNSGFCRBKBQQCG-STQMWFEESA-N 468.932 5.653 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(NS(C)(=O)=O)c1 728121762 PEEMCKSHAPBHDJ-MRXNPFEDSA-N 498.992 5.045 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(CCCCC#N)C2=O)cc1 728776905 GOPBUEQPSFOSLE-DEOSSOPVSA-N 490.629 5.667 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ncccc3C)C2=O)cc1 729630673 DOZHACPSDVFXQA-XMMPIXPASA-N 488.613 5.258 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ncccc3C)C2=O)c1 729634718 RNRFWJFBFRSZLH-XMMPIXPASA-N 490.604 5.615 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CCC2)C1=O 730460599 CEPCLYMESPITLE-LJQANCHMSA-N 478.401 5.515 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc(SC(F)F)cc1 730488781 QDBDIWSGEYSASR-HXUWFJFHSA-N 498.580 5.557 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cc3ccccc3[nH]2)cc1 730712510 MPOISKLPTHFSHX-HSZRJFAPSA-N 498.612 5.242 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1 731067285 YIKKHMLNTDYGFE-QGZVFWFLSA-N 479.627 6.123 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CCC2)C1=O)Nc1cccc(O)c1 731308717 MPFYABGAPGRMMJ-SFHVURJKSA-N 464.374 5.212 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2c(C)cccc2C)cc1 731310247 DCEQVXSGWSNMGM-HSZRJFAPSA-N 489.597 5.178 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)ccc1OCc1cccs1 744807152 NALSGJHHVUBCAT-UHFFFAOYSA-N 494.642 5.801 30 20 JKED CN(C)c1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1 745397138 NVSUGOHTUGQNKW-QHCPKHFHSA-N 476.577 5.052 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3c(C)nn(C(C)C)c3C)cc2OC)cc1 746347147 XUYQJGRNPZLJKK-UKTHLTGXSA-N 462.546 5.351 30 20 JKED CCOC(=O)COc1cccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1 747061323 GPVGPMOOMIKNRY-FMIVXFBMSA-N 484.961 5.319 30 20 JKED CCOc1ccc(-n2c(COc3ccc(Cl)cc3C)nn(CN3CCC(C#N)CC3)c2=S)cc1 747078880 KKZPQJRWYNINNQ-UHFFFAOYSA-N 498.052 5.536 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cscn3)C2=O)cc1 747602274 ZGXPQYAYNWHXAD-QFIPXVFZSA-N 494.642 5.401 30 20 JKED Clc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2nc(-c3ccncc3)no2)cc1 750948350 ISISEOJAZBTXJH-UHFFFAOYSA-N 455.909 5.143 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3cccnc3)C2=O)c1 837826533 LNVRPXROVJYCHK-JPYJTQIMSA-N 493.032 6.073 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 915054848 NYCVAKFDJXTDGH-UHFFFAOYSA-N 462.509 5.808 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)c2ccc(CC(=O)O)cc2)cc1OC 915988146 QIDHHKGQHZWVLZ-WYMLVPIESA-N 482.536 5.139 30 20 JKED COc1cccc(NC(=S)NN=Cc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)c1 916298372 IVTGJASPJJMHBH-UHFFFAOYSA-N 493.536 5.176 30 20 JKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OCc1ccccc1 916309925 OLYPZMMSJXADSR-UHFFFAOYSA-N 481.577 5.903 30 20 JKED COc1ccc(C(=O)Oc2ccc(C=Nn3c(S)nnc3-c3cccc(Cl)c3)cc2OC)cc1 916344246 HBSHMCUVQAYTGM-UHFFFAOYSA-N 494.960 5.006 30 20 JKED CC(C)(C)c1ccc(OCCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916653598 OVBSSXZTEHLQFY-IBGZPJMESA-N 463.603 5.609 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(O)c2c3c(sc2n1)CCCC3 916846264 OABIOHPNJLTRQP-INIZCTEOSA-N 493.976 5.178 30 20 JKED N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1nc(O)c2c3c(sc2n1)CCCC3 916846525 ABZKSYZPWLJXRN-KRWDZBQOSA-N 498.633 6.145 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1 916894631 RVARZJJFSSFVKR-OAQYLSRUSA-N 454.404 5.467 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 916900595 QQSRHNCPLHJBEY-MRXNPFEDSA-N 487.343 5.031 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)s2)o1 916904959 GOKJMNFVBOZKRJ-SFHVURJKSA-N 457.511 5.773 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nc(NCc2ccco2)ncc1Cl 916908711 NTGKNNZHZOYQIX-SFHVURJKSA-N 487.903 5.089 30 20 JKED N#C[C@@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 916975274 BUXBLQDGRCNZTG-KRWDZBQOSA-N 457.780 6.134 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976859 VGHMMPBKBZBJAC-IBGZPJMESA-N 467.978 6.229 30 20 JKED N#C[C@H](C(=O)CSc1nncn1-c1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 916977139 LBJGNCPCLYBXRZ-QGZVFWFLSA-N 486.409 5.666 30 20 JKED N#C[C@@H](C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 917039636 BGABIRJOBWQCSF-LBPRGKRZSA-N 467.354 5.037 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2n1C(F)F 917039831 DVYPQYZGCHAVQP-ZDUSSCGKSA-N 459.865 5.103 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cccc(C)n3)C2=O)cc1 917663196 MJURNEQCZIORHJ-QHCPKHFHSA-N 492.576 5.088 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cccc(C)n3)C2=O)cc1 917669295 OWXZWEHOUVZLAL-QHCPKHFHSA-N 458.587 5.167 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccc(C)s3)C2=O)cc1 917678063 NOTZAYREQMBVDP-JOCHJYFZSA-N 495.601 5.559 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccsc3)C2=O)cc1 917687216 OMIMOOGSDIXMBP-JOCHJYFZSA-N 495.601 5.559 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(F)c(Br)c2)cc1 918035942 PJUMDHPYFPNAFH-HXUWFJFHSA-N 452.327 5.608 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2OC)on1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 918147700 OWOBLVJXGHEOJA-UHFFFAOYSA-N 486.380 6.613 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 918586799 JVQSWHFZEHXBNR-UHFFFAOYSA-N 454.511 5.336 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920110134 LPDUJXAGUBROAP-KRWDZBQOSA-N 476.360 5.642 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ncc(Cl)cc2Cl)cs1 920366533 UQBOBQAZWMXOAU-UHFFFAOYSA-N 474.295 5.994 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)OCc2csc(CC(=O)Nc3ccccc3)n2)cc1 920524855 AASMATPUKIROQM-UHFFFAOYSA-N 483.549 5.132 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 920871247 WFWHKIZBPGKDFY-FOIQADDNSA-N 493.551 5.257 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CC(F)(F)C4)cc3)CCC2)cc1C#N 1785912478 FEASGUILEPUHGF-UHFFFAOYSA-N 467.516 5.138 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1786364203 KBNMCPKMMXSIMC-UHFFFAOYSA-N 475.564 5.551 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786391638 PSAWIPIWCHWITB-LFBFJMOVSA-N 477.674 5.453 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(F)c4)cc3)CCC2)cc(C(F)(F)F)c1 1786521211 CAPXFKNHMRKVOC-UHFFFAOYSA-N 482.437 5.173 30 20 JKED Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)n1 1786737576 GDXKOWFZBSFXIP-HXUWFJFHSA-N 466.585 5.398 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)cc4C(F)(F)F)CCC3)cc2)CC1 1787883777 CFLJPKCYJUMOAD-UHFFFAOYSA-N 461.871 5.410 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5n[nH]cc5c4)cc3)CCC2)c(Cl)c1 1788436930 QCKVOPQODSMUOH-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3nnc(-c4ccccc4)o3)CCC2)cc1 1789626164 BPVBIKOYPPTWHZ-UHFFFAOYSA-N 458.562 5.477 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Oc4ccccc4)cc3)[C@H]2C1 1790026987 GUOQCRBYWKHIFN-HRNNMHKYSA-N 476.617 5.065 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3[nH]nc4c(Cl)cccc34)cc2)CCC1 1790371795 YDNRLYLOYPNYIX-MRXNPFEDSA-N 450.970 5.105 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1 1790468638 IABWYBYROYRQSH-REWPJTCUSA-N 481.637 5.336 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4)CCC3)cc2)c(C#N)c1 1790473028 JYNXAQPGDNBZGQ-UHFFFAOYSA-N 479.536 5.303 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(C)ccc4c3)CCC2)cc1 1790568050 MGKHJNFYMYZYTP-LJQANCHMSA-N 458.562 5.092 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccccc4Cl)CCC3)cc2)cc1 1790706155 IGRRBOZVJIOWSF-UHFFFAOYSA-N 457.961 5.396 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)CC4)cc2)CCC1 1790980290 RPCSSZVICZAMKF-UHFFFAOYSA-N 457.574 5.087 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3occc3NC(=O)OC(C)(C)C)CCC2)cc1 1791249357 QZZHRYITHVACCN-KRWDZBQOSA-N 467.566 5.587 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CC34CCCN3CCC4)CCC2)cc1)c1ccc(O)cc1 1791646317 KZJIVKQKRWPCRZ-XMMPIXPASA-N 499.655 5.042 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4)CCC3)cc2)c1 1792122856 SQXBSNIUXSHZMD-HXUWFJFHSA-N 453.542 5.140 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1)C(C)(C)C 1792231468 PWSUFYZOGKNVJE-NRFANRHFSA-N 496.652 5.144 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792388562 WKBUSEDVJIWHRF-PCCBWWKXSA-N 483.653 5.368 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccccc1 1797034344 GQCLDIFMDULGAB-BKFWDETESA-N 473.693 5.052 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)c(Cl)c1 1801203362 FNQXBZWMYOASBU-REPLKXPHSA-N 483.955 5.677 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(F)cc3)cc1F)C2 1801696548 KFUNQLFSHFKOBZ-ACDBMABISA-N 460.471 5.095 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C(C)(C)C)nc3)[C@H]2c2cccnc2)c1 1802343907 XDGFJCUENHQELO-WMVAVLGLSA-N 495.627 5.035 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1802497736 ZIRDZNZMGBDRHZ-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803079302 KMSRHFAVZGXHTK-RUMCYPHMSA-N 477.571 5.225 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)c(Cl)c1)C(F)(F)F 1803899929 VAABZGJMBIEBIU-ZSBIGDGJSA-N 455.691 5.017 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccsc3)C2)CC1 1807207778 NDTKHIJNUIURFR-MDZDMXLPSA-N 456.728 5.044 30 20 JKED CC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1)c1ccccc1 1809013250 LWLJNKKOWVAMBB-BKMJKUGQSA-N 457.618 5.352 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1809188390 DOVFJEIBYSEBBQ-NLFFAJNJSA-N 477.008 5.304 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCCC(F)(F)F)[C@@H]1c1cccnc1)c1ccccc1 1810440222 HCBUGPVRXLPVNW-SONWIMMPSA-N 485.550 5.017 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1811164053 VJUBAEUHYMSFNJ-LSYYVWMOSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811861888 HERZFDVFLBAACU-WWNPGLIZSA-N 471.523 5.188 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1811954613 LBOHTNUGLKXTNJ-XTEPFMGCSA-N 489.736 5.576 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812671282 CBZOAHMIGJGFJD-UGKGYDQZSA-N 487.978 5.074 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813968640 XPROBYVDUHGBFZ-DENIHFKCSA-N 491.529 5.552 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)[nH]n2)C1 1814396530 JSWBTZXNGFFDEX-XXBNENTESA-N 492.023 5.623 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1814568959 AETUJAWVVZQHAF-IBGZPJMESA-N 470.533 5.007 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1815241739 JFSXNUXDJZPAKQ-HUJCMKAFSA-N 480.556 5.088 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1815658984 MFXQEVIRGTVLIO-KRWDZBQOSA-N 486.947 5.307 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817947633 IQITZQAFHDYWPE-AUUYWEPGSA-N 453.974 5.371 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ncsc34)n[nH]2)c1 1819156250 JYRHVSLLIMKNQN-ZHRRBRCNSA-N 484.585 5.266 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)cc(Cl)n3)n[nH]2)c1 1819969457 IDKTUSPMBLRSFH-VLIAUNLRSA-N 497.386 5.358 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)nc2)n[nH]1 1820033305 GSGMZBNZUQRAHL-RUZDIDTESA-N 469.589 5.546 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccnc4SCc4ccccc4)sc3C2)C1 1820995192 BSVQPOATVWZFLW-LJQANCHMSA-N 490.654 5.022 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sc(C)cc3[nH]2)n[nH]1 1821440285 DKUAZMOIRCRETB-JXFKEZNVSA-N 451.596 5.335 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821520090 WRISDCMIHIDQLG-HXUWFJFHSA-N 451.596 5.318 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc4cccc(Cl)c4c3)n[nH]2)c1 1821570027 WZHJLPFLGRJIEQ-DEOSSOPVSA-N 498.974 5.411 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1822585054 LTGROWNSFHMYEJ-LJQANCHMSA-N 491.817 5.325 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)ccc2s1 1823215026 LUOSPFSZJLTWRE-MWTRTKDXSA-N 498.612 5.575 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 1823299617 RKZFIXGKKDZTGS-MRXNPFEDSA-N 474.405 5.085 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)ccc3C(F)(F)F)n[nH]2)cc1 1823302858 RDTFSJAIKQJUPJ-NRFANRHFSA-N 499.468 5.253 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)cc1 1823682805 DATGRFHOPCAOIE-QFIPXVFZSA-N 491.682 5.701 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(Br)s3)CC2)C1 1823704657 NSYMBXUOJKWRDB-CPSHHHPTSA-N 477.468 5.110 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1823887165 AWOWXEMAYTUSQF-QHCPKHFHSA-N 472.589 5.211 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1824143885 UHFYUCBZOAYCDS-QFIPXVFZSA-N 469.029 5.218 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1824538015 BKAKPCWFSCFKKN-RXVVDRJESA-N 480.099 5.137 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1826515382 FVTBYICDIJHKEX-AJTFRIOCSA-N 457.618 5.098 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826783089 ZBBOMBDEFVLWGX-UIGMUVSQSA-N 463.666 5.196 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1)c1ccccc1 1827278182 AIBCFQSINZDLJT-XNMGPUDCSA-N 497.639 5.567 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)CC2)c1 1827922092 ROFRWENCJQMAHF-VWLOTQADSA-N 484.625 5.229 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)C5(C#N)CCC5)sc4C3)ccc21 1828014714 QLFOOJNTOJPYGT-GOSISDBHSA-N 497.624 5.191 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)cc1 1828159191 ZVPQUSQYBOXLHL-AREMUKBSSA-N 490.554 5.059 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)CC2)c1 1828339591 LXFKRSCFWTWHOV-RUZDIDTESA-N 494.010 5.316 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1828350197 FGUWADXFNSJENE-LLHNEZGQSA-N 495.623 5.570 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2c1 1828582294 MSIVQPCKVWAOOC-MMTVBGGISA-N 498.627 5.351 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)cc1 1829231481 ULDYJTUFRMAETR-HSZRJFAPSA-N 499.442 5.126 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1829588761 DATXAVJDSCIWPP-NDEPHWFRSA-N 496.655 5.657 30 20 JKED COc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)S)CC2)cc2ccccc2c1Cl 1829707766 MUOHXRMDLOTETR-IIBYNOLFSA-N 475.054 5.053 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3cccc(F)c3)CC2)cc1 1830013018 NNDUKMNHCUTSTE-MHZLTWQESA-N 496.586 5.306 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1)C(F)(F)F 1830493533 IZVUNSMHMVGYTG-XMMPIXPASA-N 486.534 5.831 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830532880 XFNGLHRGPSPMKM-QGZVFWFLSA-N 468.413 5.030 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 1831374718 SULRJXACARAXLD-ATIYNZHBSA-N 451.655 5.122 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831969633 UOOCICSJRFDZGJ-DKUDOZJNSA-N 485.466 5.276 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1832633711 MTXDQHBCTWSHNE-UQBPGWFLSA-N 497.561 5.880 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)CC1 1833076325 UDUCEYAOHBJFTC-HXUWFJFHSA-N 474.089 5.008 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCCC12CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1846881669 JDVOBRNCBIOSBG-HDJSIYSDSA-N 480.424 5.030 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)c1C 10167891 FOWSHLRJROSYOY-UHFFFAOYSA-O 487.595 6.511 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(CC)cc2)cc1 10173468 CFIHCWVGTRUZRC-UHFFFAOYSA-O 458.434 6.457 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11162105 DTAJPJLTNZLRBN-UHFFFAOYSA-O 482.673 6.188 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C)cc(C)cc2C)c1 14426592 QIDIXPYGWNYCLC-UHFFFAOYSA-N 499.032 5.907 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2ccc(C(C)(C)C)cc2)c1 14872156 VGOGXIUAWTVFFJ-UHFFFAOYSA-O 496.494 6.647 30 20 JKED O=C(C[C@@H]1S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O)Nc1cccc(Cl)c1Cl 15231876 UMCQNOAYDJVITP-ZDUSSCGKSA-N 462.280 5.260 30 20 JKED C[C@H](OC(=O)c1csc(NCc2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 17108053 WDTAIYDHCJCULD-HNNXBMFYSA-N 480.615 5.141 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 17295641 ZVZGKIYRHYGURH-UHFFFAOYSA-N 494.016 5.175 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nnc1-c1ccc(Cl)cc1 18771090 YHHLJMCJBCRYKY-UHFFFAOYSA-N 482.034 5.947 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 22730592 CPCHYXUQXDIPJN-UHFFFAOYSA-O 455.003 5.143 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c1 109123109 LDVRIGLMXFKVAM-UHFFFAOYSA-N 485.009 5.061 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 117244284 RDRSRENISDHLGU-LJQANCHMSA-N 469.570 5.519 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1 195630604 NEMOEUOOGIFYBJ-UHFFFAOYSA-N 465.550 5.236 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CC1 195734085 PIBSJIBBBYDMPX-UHFFFAOYSA-N 459.531 5.148 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 303277595 JDLMFOOMEQSLFB-AWEZNQCLSA-N 484.375 5.798 30 20 JKED Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C 488224750 VYTXXIFCKGPPPM-XMMPIXPASA-N 457.555 5.121 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 490194600 XNEFOMVADHHFNU-UHFFFAOYSA-N 475.555 5.307 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)c2)cc1 496260253 BPUVFPNLMLDJKU-UHFFFAOYSA-N 474.582 5.300 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)c1 498777452 BROFQJSLGFGYOW-UHFFFAOYSA-N 478.140 5.893 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 500448287 PBQFBGKAJPXIQG-UHFFFAOYSA-N 493.610 5.179 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)CC1 500638806 WCQUQGKGMKJLLX-UHFFFAOYSA-N 476.005 5.118 30 20 JKED Cc1cc(-c2cc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c3c(C)noc3n2)c(C)o1 501022129 QMJZASDZSDITIL-UHFFFAOYSA-N 452.470 5.720 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccccc1F 503735270 NLEMQYISPJVFLQ-JOCHJYFZSA-N 464.591 5.330 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2nc(C)c(SCC#N)s2)c(OC)c1 504682941 ATMDKMBFGBEKJB-UHFFFAOYSA-N 492.626 5.804 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 509020208 CTBIJYTVRVBFJK-UHFFFAOYSA-N 486.513 5.099 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 509098018 OVGDHRMCQYNWJQ-PKOBYXMFSA-N 492.954 5.568 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4cc(C#N)ccc4OC(C)C)cc3C2=O)c1 509591610 JSBUUVLPOQWEJN-UHFFFAOYSA-N 453.498 5.015 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1)[C@@H](C)c1ccc(C#N)cc1 509603200 KOPWMQBLMJFKDR-FQEVSTJZSA-N 461.587 5.199 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 512857114 QBXQXUBNYCTQCU-YWEHKCAJSA-N 499.567 5.097 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 514213097 CZZHDUSAKLWFQH-HHHXNRCGSA-N 456.565 5.246 30 20 JKED Cc1nc(SCC(=O)Nc2ccccc2SCC#N)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 514343667 NHVKIQJYGBHZGX-LWYYNNOASA-N 454.665 5.844 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3csc4ccccc34)cc2Cl)cc1 515896483 ODMSGKXEJIVWKH-UHFFFAOYSA-N 461.930 5.474 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4nc5n(c(=O)c4c3C)CCCCC5)n2)cc1 516713594 AEYFRBFBNLMOES-QGZVFWFLSA-N 490.610 5.115 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1nc2ccccc2o1 517793552 UWHRFTHQWTUJAH-SFHVURJKSA-N 460.287 5.333 30 20 JKED CC(C)[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2cccnc2)no1 517905961 SXPKPLWVSHVRCG-JOCHJYFZSA-N 454.490 5.314 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc2)cc1 519988743 JDOZAZVFFXGHCB-IBGZPJMESA-N 454.555 6.372 30 20 JKED C=CCn1c(SCC(=O)N(C2CC2)[C@@H](C)C2CC2)nnc1-c1ccc(Cl)cc1Cl 520007888 FZKZGVDVHVAJNK-ZDUSSCGKSA-N 451.423 5.320 30 20 JKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1S[C@@H](C)CC#N 520940580 YJAAIQSSXLLUFS-HNNXBMFYSA-N 464.404 6.425 30 20 JKED CCCC(=O)Nc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1C 521247339 JNHXKMJTPNTNFE-UHFFFAOYSA-N 486.597 5.588 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC 521830239 JEFNUNMDFOEEBG-KRWDZBQOSA-N 479.964 5.097 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1 523906227 FTOUFQXBWZHLPS-UHFFFAOYSA-N 496.542 5.132 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)c2)cc1 524558555 OWYYCNJALHJMHF-AREMUKBSSA-N 487.987 5.581 30 20 JKED C=CCN(C(=O)Nc1ccccc1COCc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 596354669 WLZNEJWBOVMRHW-OAQYLSRUSA-N 468.561 5.160 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 603525181 ZFMFTGMYIJFORF-UHFFFAOYSA-N 465.893 5.201 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603755970 AVWLDXJTWHJUSU-UHFFFAOYSA-N 492.461 5.143 30 20 JKED CCC(CC)C(=O)N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 603828988 DBXLEDMYKDLEMI-QFIPXVFZSA-N 452.986 5.108 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 604495562 GHPVBXIRMSQZOB-UHFFFAOYSA-N 454.983 5.002 30 20 JKED CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 608796927 DMBJHPZCPXRMMZ-HSZRJFAPSA-N 457.530 5.264 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(I)cc2Cl)c1 608804149 MILOAGZVXSXQMK-UHFFFAOYSA-N 478.673 5.241 30 20 JKED CCCN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H](C)c1ccc(Cl)c(Cl)c1 609001329 YKBYYKPAGSKDNQ-INIZCTEOSA-N 460.409 5.412 30 20 JKED CCc1c(C)sc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C#N 609032733 FOXDEXSVINKMMJ-UHFFFAOYSA-N 456.921 5.413 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1Cl 609089293 FZRVPXYQQXQWPJ-FQEVSTJZSA-N 480.395 5.681 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)cc1 609213328 CUJOWVRFSYDLAI-XMMPIXPASA-N 489.620 5.116 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccco1 609369922 SPKDJENQWBBRDP-MRXNPFEDSA-N 455.609 5.177 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 609403277 JFNVEIGAHDXGSC-MRXNPFEDSA-N 465.525 5.061 30 20 JKED N#C[C@H](C(=O)c1sccc1Br)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347001 UUDFELTVWUFFAI-SNVBAGLBSA-N 458.189 6.431 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(N)c2c3c(sc2n1)CCCC3 680615212 GINUWSJXXYEIEF-UHFFFAOYSA-N 499.065 5.455 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1=S 725773846 FFCDXEIEEWKLEQ-UHFFFAOYSA-N 483.682 5.397 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C#N)c(Cl)c1 726406656 LJOVCNDWMFTNOF-QGZVFWFLSA-N 491.787 5.112 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccco3)C2=O)c1 726419159 DEXYSWHLEMQJEX-QKIKLFBASA-N 467.616 5.548 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CC1)c1cccs1 726419741 GRISQUVAPPVMIX-GMSQGMSASA-N 468.431 5.607 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S/C2=N/[C@H](C)c2cccs2)cn1 726421066 NZXRDHRUJQZPSR-GJUOGHIESA-N 494.642 5.050 30 20 JKED N#Cc1ccc(NC(=S)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1Cl 726479072 QLTHEEAMGFVMMG-UHFFFAOYSA-N 456.358 6.318 30 20 JKED CCOc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc(Br)c1OC 727266895 JIAVIQUGIMQJOJ-SREVYHEPSA-N 479.283 5.186 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 727627072 KUQCRPINWXYERD-SFHVURJKSA-N 479.030 6.166 30 20 JKED C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728029539 WRGKZNFNVMKKRV-QGZVFWFLSA-N 457.917 5.244 30 20 JKED C#Cc1cccc(N(CC)C(=O)c2cccc(S(=O)(=O)N(CC=C)c3ccccc3Cl)c2)c1 728481271 UDRLUQWLRAJLPV-UHFFFAOYSA-N 479.001 5.369 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3csc(-c4ccc5c(c4)OCO5)n3)SC2=S)cc1Cl 728609961 BXYFCCWEMDPAGC-NGYBGAFCSA-N 483.983 5.470 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2\CN(CC3CC3)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697660 VCEJKZPOZRCOFR-LFHZSDEESA-N 467.569 5.030 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776455 BUCAQDWNRDWKNU-FQEVSTJZSA-N 499.980 5.211 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)c(Cl)c1 728777377 KQKXJVVUBBVYRG-IBGZPJMESA-N 493.391 5.787 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1OC 729433598 KQZZLIXMZXMIHW-FQEVSTJZSA-N 484.339 5.258 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(NC(C)=O)c1 729634602 OVXYYZCMTBOPJK-QHCPKHFHSA-N 496.633 5.050 30 20 JKED N#CCOc1cccc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)c1 730436436 PEQXFZRFAULBDB-NTCAYCPXSA-N 451.345 5.687 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)c1C 730445277 WEPUNALZYPSVBY-QHCPKHFHSA-N 476.602 5.111 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 730461937 UVQKUNRACRNMAX-SFHVURJKSA-N 493.372 5.414 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3ccc(C)cc3)cs1)O[C@@H](C)C2 730685605 AOBHIRJTWHJNOW-GUMYABAYSA-N 458.583 5.821 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(Cl)cc1 731072116 ZXDDMPGWZUBWRH-QGZVFWFLSA-N 497.020 5.696 30 20 JKED CC1CCN(c2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)CC1 731105119 GEJVFFTWKQTNFC-UHFFFAOYSA-N 468.601 5.890 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)CCc2ccco2)cc1F 731309299 RLSXITHCGUCIRD-HXOBKFHXSA-N 495.576 5.414 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc3ccccc3o2)c1 731316299 VSGLWEGPFTTYNH-VWLOTQADSA-N 495.560 5.280 30 20 JKED COc1cccc([C@@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)c1OC 732039145 UVGCRKAAXYZJAK-QFIPXVFZSA-N 466.534 5.171 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2cc(C)ccc2F)[n+]2ccc3c(c2)CCCC3)C=C1 744117070 VBFTUHKTCXKXSG-UHFFFAOYSA-O 476.597 5.394 30 20 JKED O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1N=Cc1csc(-c2ccc(Cl)cc2)n1 744798101 RRJGIHRGACFEJO-UHFFFAOYSA-N 472.957 5.293 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2cc(Cl)ccc2s1 747112115 XPYSHMUXEGQZFU-AWEZNQCLSA-N 478.813 6.799 30 20 JKED CCN(CC)c1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1 747198796 VXEJVCPEOZDKSX-GFMRDNFCSA-N 478.640 6.334 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)CC1 749313504 SOOMDBVGMANXSH-JXHCQPQMSA-N 469.607 5.073 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1ccccc1 750402058 XDYMCBSEDRXNAK-UWJYYQICSA-N 498.637 5.880 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N/C=C2\C(=O)N(c3ccccn3)C(=O)c3ccccc32)cc1 751263109 UQSZLSLATODLMH-MOHJPFBDSA-N 488.503 5.394 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(SC(F)F)cc1 799211030 ZHVQSNLQWAESPQ-MRXNPFEDSA-N 453.511 5.121 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c1 799214195 HLXIQSDGDDMZTD-KRWDZBQOSA-N 471.451 5.104 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N([C@H](C)c2cccnc2)C1=O 837382040 SQUVLSWEVDJILG-WZONZLPQSA-N 474.586 5.120 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1OC 838505949 FEGGXKWZQOUIEC-IBGZPJMESA-N 490.423 5.218 30 20 JKED N#CCCn1ncc(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)c1-c1ccccc1 904479483 LQVICPJGIRJGTM-UHFFFAOYSA-N 471.524 5.579 30 20 JKED N#C[C@H](C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103611 ZGLXGWFCPRIBJJ-VKHFVAFNSA-N 486.641 5.204 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3c(Cl)n2)n(Cc2ccc(F)cc2)c1C 915448896 KDIDESYXQAHUGJ-UHFFFAOYSA-N 490.922 5.161 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)Cc3cc4ccccc4nc3O)c2C#N)C1 915571580 RQZUVGBEPIHRTP-SFHVURJKSA-N 491.613 5.139 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CCC#N)Cc2cccnc2)c1=S 915796035 QPZFMMOYDQJVNY-LGGPRVQUSA-N 478.691 5.908 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)c2C#N)C1 915824764 IIEJBPZAKQTMMS-ZDUSSCGKSA-N 469.998 5.672 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c(C)c1 916208084 SQGNKPRPJFZYNH-IBGZPJMESA-N 461.509 5.445 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(C[C@H]3CCCO3)C2=O)c1 916209832 RYXUBLXRJJSJJF-DYESRHJHSA-N 472.010 5.096 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc(SC(F)F)cc1 916217625 RUVFMTOXKORPDO-GOSISDBHSA-N 477.558 5.156 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@H](C)C2 916886098 DKJJNKMDGYZOKK-DDZAHNOCSA-N 472.513 5.084 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)c1 916897853 UBLWTNRBNBVRSM-NRFANRHFSA-N 490.357 5.279 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCSc1ccccc1Br 916908033 OYYHYBQPROKSIB-KRWDZBQOSA-N 459.409 5.404 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916911680 VYXDBQRFXRLPPJ-LJQANCHMSA-N 455.366 6.247 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916945535 WTWPYJWXGIYBKV-OAHLLOKOSA-N 450.734 5.731 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1 916951742 BBUKAQVLDLHBTP-FQEVSTJZSA-N 473.579 5.558 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nc(-c2ccccc2)cs1 917026635 JYXQTEGZRZYENH-HKUYNNGSSA-N 469.488 5.054 30 20 JKED CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917045903 CJTUZPHTQFVYGH-BYZYIAPXSA-N 470.038 5.483 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C 917424215 GOZVBSMERCRWGS-LBPRGKRZSA-N 481.883 5.555 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)OCCO3)cc1 917613034 JYACZPLAOVNXED-UHFFFAOYSA-O 486.617 5.844 30 20 JKED CC(=O)Nc1cccc(N2C(=O)/C(=C\c3cccc(OCc4cccc(C#N)c4)c3)SC2=S)c1 917644101 SSKSULYUROGHAB-ZMOGYAJESA-N 485.590 5.501 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](c2ccc(Br)cc2)C2CCC2)C1=O 917673982 LFCLJUVLWRJEIK-FPOVZHCZSA-N 486.435 5.058 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc2ccccc2c1 917698771 DIYRKYJEOWDJIN-QHCPKHFHSA-N 477.586 5.227 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccc(F)c1 917703940 SCHXPDJJIHGQAE-JOCHJYFZSA-N 494.498 5.136 30 20 JKED CCCCCCCCC(=O)Nc1cccc(NC(=O)c2ccccc2I)c1C 917817328 HFCBMSUSLREJPU-UHFFFAOYSA-N 492.401 6.541 30 20 JKED N#CCOc1cccc(NC(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c1 918596673 UAXRHWLQSQJRIU-UHFFFAOYSA-N 496.514 5.737 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1=S 918736961 ZYVNEIVLLAPUSA-KBPBESRZSA-N 498.468 5.338 30 20 JKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 919652528 IMZMOSDQNLMIPK-NDEPHWFRSA-N 464.569 6.235 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 919825751 VMJQJYVSNPNJHD-UHFFFAOYSA-N 495.988 5.431 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(C#N)ccc2OCC)ccc1Cl 919895291 BIPVUWGKTWRSSD-UHFFFAOYSA-N 495.988 5.244 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 920002760 ZLBNIRGCVNVINH-UHFFFAOYSA-N 485.385 5.982 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 920105899 IECVQSPBRLVVCS-SFHVURJKSA-N 482.590 5.832 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)n2)cc1 920141531 JKZOQHUIFRYEQF-JOCHJYFZSA-N 490.544 5.088 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cc(C)on3)C2=O)c1 920353259 FILJRNOZVBJATB-HSZRJFAPSA-N 476.602 5.377 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cc(C)on3)C2=O)c1 920353892 VYJXHUSOXGCZPI-HSZRJFAPSA-N 476.602 5.377 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1 920750171 WLFZOJLSHQEJNZ-LFIBNONCSA-N 465.509 5.401 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)CCO2)C1 1779244146 IVCCJEJZAGWGJK-VWLOTQADSA-N 497.463 5.217 30 20 JKED Cc1cccnc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1786797128 ABSARKUEFJIURR-NRFANRHFSA-N 466.585 5.398 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)cc3)CCC2)c1 1787949067 DFYASPYCIVTDBV-GVUKDKGQSA-N 479.584 5.012 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312447 GXYGGESRTYHFNW-UHFFFAOYSA-N 472.035 5.617 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4cc[nH]c34)cc2)CCC1 1788990812 JAHBVTKZNHIZPO-UHFFFAOYSA-N 479.378 5.228 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(C(F)(F)F)ccc5[nH]4)cc3)CCC2)CCC1 1789229232 DPYJAKYBNKPLDN-UHFFFAOYSA-N 480.490 5.628 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1789454800 DCYRZHXVYPNJGY-FGZHOGPDSA-N 469.626 5.192 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)C#CC4(O)CCCCC4)cc3)CCC2)c(C(F)(F)F)o1 1789540457 SZFQFMBJQHJVKL-UHFFFAOYSA-N 488.506 5.053 30 20 JKED Cc1ccc(S/C=C/C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc1 1789577898 UCRCFMYILPTXCT-SRTHRWLISA-N 473.598 5.447 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(F)cc4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1790294727 HVELSSBXJDLYEX-QHCPKHFHSA-N 493.579 5.139 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCCC3)CCC2)cc1 1790519238 ILGICFPJNTUQHL-JOCHJYFZSA-N 469.626 5.170 30 20 JKED CC(C)n1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)c(C(F)(F)F)c1 1791575276 KQFIHAGQFIZLBJ-CQSZACIVSA-N 453.530 5.154 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H](C)CCN3C(=O)OCc3ccccc3)CCC2)cc1 1791587645 AQUSHELZUMNYCZ-SQJMNOBHSA-N 489.616 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccnc4)CCC3)cc2)c1 1792123485 DFMIZQGFJKOMGN-HXUWFJFHSA-N 452.558 5.089 30 20 JKED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCCCCCCCCCc3ccccc3)[C@H]2C1 1792223209 CYXVKYKYDUOIFQ-KCHLEUMXSA-N 495.708 5.414 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1 1796503395 KJPGAVBNMHUZHY-KOUNCHBCSA-N 483.534 5.213 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ccc(Br)cc3c1)C2 1798340202 PXFRUBYHXQQFTO-CIAFKFPVSA-N 482.422 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1cccc(Br)c1)C2 1798590710 FEJQSNPDDVMAQL-WKCHPHFGSA-N 491.470 5.239 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(Br)cc2c1 1800931304 GNUPICLSVJCPDR-KOUNCHBCSA-N 482.422 5.018 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1802497948 LBTQKJHQUXXCGM-XUZZJYLKSA-N 476.646 5.312 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1802503064 PMHUAGBKMZHFQB-HTAPYJJXSA-N 475.967 5.325 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C3)c1 1803685291 SFWKPXMEXWKVIM-PPRPKMEESA-N 489.925 5.551 30 20 JKED O=C(/C=C/C(=O)N1CCC2(CCCN(C(=O)C3CCC(C(F)(F)F)CC3)C2)CC1)c1cccs1 1806474645 JJPNAJXXYZCZCH-CMDGGOBGSA-N 496.595 5.087 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2ccc(C)cc2)[C@@H]1c1cccnc1 1809469639 GEQBYPJFXXNWEP-RDGATRHJSA-N 465.663 5.181 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1810277046 KYZVNHQMMSDHDT-RBJSKKJNSA-N 487.720 5.330 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@@H]1c1cccnc1 1810489102 JKYCEOBGTKJXOT-ZJSXRUAMSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1810501079 GQDQOJIAFOHKQF-OFNKIYASSA-N 487.566 5.721 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)cc1 1811832741 UWGWOQFBPZXWIP-XUZZJYLKSA-N 493.394 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(O)c3cc2OC)[C@@H]1c1cccnc1 1812193835 VYFSMFILHIEDQP-JWZKTCGFSA-N 499.611 5.037 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1813225782 ATMAIUSSUSUPEI-BHBYDHKZSA-N 473.661 5.256 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCc2cc(C)cc(C)c2)[C@H]1c1cccnc1 1813240273 CBKJEHVCJDDMHD-IXCJQBJRSA-N 459.634 5.105 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@](C)(OC)c2cccc3ccccc23)n[nH]1 1814408694 WIWGWYDVRYPTKR-NVQXNPDNSA-N 496.558 5.328 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)[nH]n1 1814828378 JEKICOCEXCZFEM-VWLOTQADSA-N 469.589 5.546 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1815219115 FGXXBGABPHTJFU-NLFFAJNJSA-N 474.605 5.087 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1819306956 JUOZEAAOVJADPY-UNMCSNQZSA-N 454.691 5.221 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)[nH]n1 1819311263 SLSRUYWLXZLUMN-HNAYVOBHSA-N 462.928 5.416 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1 1819383960 ARCDAGAWPHHYAT-GOSISDBHSA-N 470.612 5.186 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)nc3Cl)n[nH]2)c1 1819680383 CTVRAGFNDZUSQA-AUUYWEPGSA-N 497.386 5.358 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc(Cl)c(Cl)c3)n[nH]2)c1 1819743208 OWKFQEIFPISQKO-VBKZILBWSA-N 497.386 5.358 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820078922 BGAINGQSNWHEMT-NBGIEHNGSA-N 481.600 5.848 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[nH]n2)c1 1820484573 CJXIZNBBFNIXJW-KZDDHRSZSA-N 459.594 5.194 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821049166 ZATLJFONDLIALV-DEOSSOPVSA-N 456.546 5.311 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)cc1 1821273027 XHRSAEVLAUKJKZ-QHCPKHFHSA-N 489.551 5.217 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1)Oc1ccccc1 1821784787 UIZKEQAYGZBYCM-XUZZJYLKSA-N 494.712 5.311 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cc(Cl)ccc3Cl)n[nH]2)CCC1 1821792054 YCWSBOHJAMBIKZ-IBGZPJMESA-N 474.392 5.035 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[nH]n1 1822401156 BNFLCLDZYBDQDT-SFHVURJKSA-N 465.381 5.386 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n[nH]1 1823301394 UDOXSONEWXKHFP-ACJLOTCBSA-N 452.452 5.086 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)c2[nH]1 1823682883 GGFYRUCGFVCKON-MHZLTWQESA-N 482.628 5.214 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 1824144796 GZVUTXQSPATDCG-XMMPIXPASA-N 473.057 5.279 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)CC1 1824447194 VHPHEGNHMGHYNB-XUZZJYLKSA-N 477.020 5.246 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1824499627 IKNGFFQJXRVESJ-XMMPIXPASA-N 472.029 5.037 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1824510444 NEEARHASXCLXJY-DYESRHJHSA-N 475.054 5.379 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)[nH]c2c(Cl)cccc12 1824540077 SUDFCMLVDKJALS-OFNKIYASSA-N 476.086 5.317 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734409 DFBDLYDXOSVFNJ-WIOPSUGQSA-N 499.051 5.406 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828683354 DLSXWIJGTCFCAS-HSZRJFAPSA-N 469.029 5.218 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1Cl 1829689496 HBWZVQYYARLWCV-JOCHJYFZSA-N 471.935 5.037 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1831371193 UYNBOVIZFZBQPU-NLFFAJNJSA-N 463.597 5.333 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1832043231 LTPGOHAJHIJAKT-SANMLTNESA-N 475.658 5.065 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832550102 MDBQDYNUPXACIA-NBGIEHNGSA-N 461.581 5.308 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(C)cc3F)CC2)c1 1832625045 ROPVMJUWSRETLD-RUZDIDTESA-N 465.544 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)CC1 1835816855 ADVULNRRBLNWGN-UHFFFAOYSA-N 459.719 5.157 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1838375922 WUBKUZBJXCVBLJ-LJAQVGFWSA-N 486.656 5.734 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(F)cccc3Cl)CC2)CC1 1838423848 IMPGTBNJDREYLB-UHFFFAOYSA-N 465.009 5.084 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CC2)CC1 1838735360 CPHOXRBWUKQXNS-WOJBJXKFSA-N 494.598 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)C1 1844752505 LUUHNTVRFKQDIB-UHFFFAOYSA-N 452.982 5.087 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)c1cccc3c1oc1ccccc13)C2)c1ccc(O)cc1 1846414647 NTQKKJDELXBDNC-QFIPXVFZSA-N 492.575 5.306 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)c1Cl 1846896171 MXEJBTLMNIJOJC-UHFFFAOYSA-N 482.289 5.015 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2cc(Cl)ccc2c1=O 9085536 PHXYZSSCBOFCTQ-NSHDSACASA-N 452.338 5.148 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2cc(Cl)ccc2c1=O 9353567 WXDHHOIZIBBGGT-UHFFFAOYSA-N 454.766 5.274 30 20 JKED Cc1ccc(-c2csc3nc(S[C@H](C)C(=O)Nc4ccccc4C#N)n(C)c(=O)c23)cc1C 9964981 PEAAVVVRGXBPDS-MRXNPFEDSA-N 474.611 5.270 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccccc2Cl)cc1 10826637 XBGXKAJLWIGLAC-UHFFFAOYSA-O 452.043 6.538 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(OC)c2)cc1 11261472 JNUQEDBKCPQFHI-UHFFFAOYSA-O 475.678 7.061 30 20 JKED C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl 14123636 KHIKQFFXQKDIOK-UHFFFAOYSA-N 463.390 5.389 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccccc2)nnc1-c1ccc(Br)cc1 22217605 JIJBIKWHDZJZQS-MRXNPFEDSA-N 471.424 5.033 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 23604328 HVHAQOPBILCMLL-UHFFFAOYSA-O 484.645 5.959 30 20 JKED CCOc1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)cc1 107833969 CALGXDLWVZSCBM-UHFFFAOYSA-N 459.493 5.214 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1oc2ccccc2c1CSc1ncccn1 109385539 TXERHILFFWIGGJ-UHFFFAOYSA-N 455.992 6.058 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)nnc1-c1ccccc1F 195569802 DCULMRFHWVCAEB-UHFFFAOYSA-N 453.568 5.109 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c2ccccc21 255941689 SBEKDULEXGERBI-UHFFFAOYSA-N 464.554 5.173 30 20 JKED O=C(NCc1ccc(F)cc1)C1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 409696279 GTSFMRAIWUVOCM-UHFFFAOYSA-N 491.407 5.424 30 20 JKED COc1cc(CN(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1SC 476454705 ARGSDKOFQBSUOO-UHFFFAOYSA-N 471.633 5.096 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccccc2F)o1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491082275 FMUYDHYUYARAJP-UHFFFAOYSA-N 482.558 5.446 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(S[C@H](C)CC)cc3C)nnc12 498591059 GTHNXUXMEUZQRI-QGZVFWFLSA-N 493.658 5.160 30 20 JKED CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCSc2ccc(Br)cc21 504572142 FBALRDHAIWTBDM-FQEVSTJZSA-N 483.387 5.802 30 20 JKED C[C@H](Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)Nc1cccc(C#N)c1 507555157 YROXGIOJVZCNTR-HNNXBMFYSA-N 452.436 5.268 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 508168435 ZNTQWQLMNHYYSF-UHFFFAOYSA-N 477.561 5.514 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 508291623 ZXJYDNHMCCXOQJ-UHFFFAOYSA-N 458.518 5.078 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(=Cc4cccc(F)c4)CC3)c2)cc1 509920899 VVBNUQAPWDBMRH-UHFFFAOYSA-N 455.533 6.182 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 510608219 KIDWNGKMVVIHMY-QGZVFWFLSA-N 455.518 5.517 30 20 JKED Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511461546 NFEIKBKXHQDUIQ-DEOSSOPVSA-N 471.557 5.002 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1 511567483 ZPAZVXFUPRAJHM-UHFFFAOYSA-N 472.522 5.478 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 512857110 QBXQXUBNYCTQCU-RBJSKKJNSA-N 499.567 5.097 30 20 JKED Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C 513540454 LGQPVLOOBVWPSD-HHHXNRCGSA-N 497.595 5.014 30 20 JKED C=CCOc1c(Br)cc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1OC 513632515 QXGQPZVZLZNOGG-UHFFFAOYSA-N 499.380 5.704 30 20 JKED C[C@@H]1CN(c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cn2)C[C@@H](C)O1 514465837 IZICJYNUXJADKR-PNCHPQGNSA-N 460.965 5.256 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 514640763 BQBFXJYWHOXPLG-NRFANRHFSA-N 469.635 6.480 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1[C@H]1COc2ccccc2O1 514936056 PZIHTXMIGHHTDV-MGPUTAFESA-N 479.537 5.327 30 20 JKED N#Cc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)sc2c1-c1ccccc1CC2 515628691 YMOOWDBCDFKLDU-UHFFFAOYSA-N 458.543 5.149 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1Cl 516711142 NXABJCAOSLBDBC-FYYLOGMGSA-N 477.923 5.103 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 516749237 WJVPVERACBMZSX-VWLOTQADSA-N 485.540 5.704 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 516841912 WCVBXZVIPKQLAS-UHFFFAOYSA-N 468.538 5.560 30 20 JKED CC(=O)Nc1cccc(OCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 517115783 UQNMYGHALREXBG-UHFFFAOYSA-N 464.909 5.163 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 517176132 WMALXJVFGBYHGT-UHFFFAOYSA-N 482.367 5.236 30 20 JKED COc1cc(OC)c(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 517408647 XWDYDPOVAXVRAZ-QFIPXVFZSA-N 479.964 5.385 30 20 JKED C[C@@H](Nc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-])c1ccccn1 517492187 LOPMHUQYURNDTR-YJYMSZOUSA-N 470.316 5.464 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 517517845 KTAPQXLWRVZXMX-HXUWFJFHSA-N 482.609 6.123 30 20 JKED C=CCN(C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518240218 UJTHMBGVMGPXSX-VQTJNVASSA-N 486.551 5.614 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)n2)cc1 518516611 NZWSIAPZIULTDH-LJQANCHMSA-N 482.487 5.822 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OCC 518516798 ZCIANSVQMYKTMB-IBGZPJMESA-N 479.989 6.403 30 20 JKED C[C@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518674669 DXZZDYXAUYGZCU-CYBMUJFWSA-N 453.461 5.008 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)CC2)c1 519180964 PXFLKDJIMGQNPU-UHFFFAOYSA-N 461.949 5.866 30 20 JKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 519986510 SIEDQBZSBUGTBV-IBGZPJMESA-N 469.610 6.142 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)c1 520188734 PBHGLQYUQWDZPY-LJQANCHMSA-N 479.627 5.751 30 20 JKED O=C(Nc1cc(F)cc(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 521708528 LOTYLMCVKAXPIH-UHFFFAOYSA-N 452.717 5.408 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 522449832 PVGTXVFENOHYSJ-UHFFFAOYSA-N 483.524 5.265 30 20 JKED O=C(CCc1ccccc1OC(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589305163 BHBVXRWWGAKHGZ-ITGUQSILSA-N 451.329 5.544 30 20 JKED CCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1cccc(C)c1 597868936 DRWYOAPIFOQMHI-GOSISDBHSA-N 451.571 5.230 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccccc1SCc1cn2ccccc2n1 603484874 MYZLNVFFJGBSNZ-UHFFFAOYSA-N 458.612 5.161 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1OCC(C)C 603829918 KPLARJPWESILOS-INIZCTEOSA-N 497.646 5.628 30 20 JKED Cc1cc(=O)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)nn1-c1cccc(C(F)(F)F)c1 603968440 RSAIXBWSCGYALO-UHFFFAOYSA-N 480.471 5.412 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(OC(F)(F)F)cc3)cc2Cl)cc1 604137378 GIWKKHMYWNUBFG-UHFFFAOYSA-N 489.837 5.157 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)sc2nc3n(c(=O)c12)CCCCC3 609064420 VATTUCWTHBSXEH-UHFFFAOYSA-N 484.581 5.196 30 20 JKED Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)s1 609085754 FSPSWLMUMLXUOQ-HNNXBMFYSA-N 467.978 5.285 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609164818 WVQFJNFULNHJRS-UKILVPOCSA-N 492.044 5.794 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(-c2cc(Br)cs2)n1 609428674 RVSFBJYEGADEHU-LLVKDONJSA-N 464.435 6.281 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 611957465 ALZLNFBKDIDHCK-UHFFFAOYSA-N 466.975 5.931 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 613414789 CJPSLPLPDITRLQ-OALUTQOASA-N 490.604 5.693 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 614072755 FTBIGNARAKQMSO-DEOSSOPVSA-N 476.646 5.300 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)n1 623584332 LYOONYZSWLYNCE-GOSISDBHSA-N 454.477 5.667 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 642500642 BMDSLPDAYJGTLY-PMACEKPBSA-N 465.594 5.327 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726567063 DIRWGODSYRODFX-UHFFFAOYSA-N 477.511 5.137 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3ccc(OC[C@H]4CCCO4)cc3)SC2=S)cc1Cl 726626566 IGXQWOIOKZKKOM-QOYJSAPCSA-N 456.976 5.175 30 20 JKED CC(=O)N(c1nc(C=NNc2ccc([N+](=O)[O-])cc2Cl)cs1)c1ccc(F)cc1F 727649771 MRICPUJNHBAUQK-UHFFFAOYSA-N 451.842 5.114 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(N2CCCCC2=O)cc1 728119159 JGTBBSPEWJMZIB-UHFFFAOYSA-N 468.557 5.284 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 728422242 FUJHRAJXJUSPHR-HOYKHHGWSA-N 483.597 5.237 30 20 JKED Cc1ccc2c(c1C)OC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 728424602 FFKJRBWJHJZIIW-ZEQRLZLVSA-N 496.592 5.269 30 20 JKED CN(CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1)C(=O)OC(C)(C)C 729035900 JXJVUTDWHKGEMM-DEOSSOPVSA-N 462.594 5.453 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1 729144686 XSDLCYBTPNJRHI-IBGZPJMESA-N 468.579 5.060 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 730460838 GXHOAPQLKYWERQ-GOSISDBHSA-N 494.907 5.039 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730713175 MKOMCAKXXYZVTF-GOSISDBHSA-N 493.347 5.281 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1 730713873 VMVGQBMEMNPEHB-HSZRJFAPSA-N 470.554 5.297 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 730995006 MZWBAMBZJRGMSY-OAHLLOKOSA-N 481.927 5.352 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(F)cc2)cc1 731067696 DXSOEDKSTJTYSE-QGZVFWFLSA-N 464.518 5.808 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]cc1-c1ccc(Cl)s1 731073683 GLWWWGVWKYBPEP-CYBMUJFWSA-N 459.980 5.586 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731307908 WBKIITREJKRCMZ-ZCYQVOJMSA-N 489.572 5.643 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cs1)c1ccc(F)cc1F 746006433 BTTCXMYWKAKJTJ-VQHVLOKHSA-N 494.475 5.960 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2oc(C(C)(C)C)nc2C#N)cs1 746498376 XYLCYVHAMHJERU-UHFFFAOYSA-N 476.484 5.450 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccccc3F)s2)ccc1S(=O)(=O)C(F)F 747066450 LALMUJYMSYIJFJ-VQHVLOKHSA-N 452.475 5.455 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1 747150712 TUPYHSXANUTJJK-MEFGMAGPSA-N 468.597 5.553 30 20 JKED COc1ccc(/C=C2\SC(=Nc3cccc(C(F)(F)F)c3)NC2=O)cc1OCCCC#N 747361330 KQFOQXYRNJTVQT-UNOMPAQXSA-N 461.465 5.288 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)cc1C 747603729 WRMNPYKUBIPSNW-FQEVSTJZSA-N 482.606 5.102 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 748482074 JVHNKQWBALSRKD-GOSISDBHSA-N 463.969 5.130 30 20 JKED CCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1c(Cl)cccc1Cl 749048770 OTDYOOCZZFSNSL-CYBMUJFWSA-N 497.169 5.404 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c3ccccc3n2)c(C)c1 749149691 RQNYZUMXTKVSTO-UHFFFAOYSA-N 488.591 5.881 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2-c2ccccc2)cc1 750908465 ANKQJZARFBQAKN-VWLOTQADSA-N 480.593 5.026 30 20 JKED C=CCn1c(SC[C@H]2CCOCO2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 755421013 PRZBLNHBJXMYER-HXUWFJFHSA-N 458.587 5.510 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 837422751 AIEOVJILQBXUFX-MBSDFSHPSA-N 476.577 5.559 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1CC(F)(F)F 838536754 WHJHQHKOEVGQKD-KRWDZBQOSA-N 485.915 5.180 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839404217 XAJLERORFVTVHM-SANMLTNESA-N 450.542 5.354 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc3n(C(C)C)c4ccccc4n23)c1 854408386 ZUFJMGQMJLIBTM-LJQANCHMSA-N 460.607 5.309 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)N[C@H](C)c3cccc4ccccc34)nc(O)c2C#N)cc1 857991387 JGCVQBUADIYBGX-IAGOWNOFSA-N 484.581 5.241 30 20 JKED N#C[C@@H](C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 915104931 XLYGBJIIDUSLKM-KRWDZBQOSA-N 477.467 5.660 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)cc1OC 915271185 NIYBYHMPVDRMDH-YRNVUSSQSA-N 490.943 5.752 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n1 915483495 IPLNWYWCYRJHRL-SECBINFHSA-N 459.763 5.660 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCc2ccccn2)C1=O)Nc1cccc2ccccc12 916205832 MIKPZTZUSLWOKF-RUZDIDTESA-N 498.583 5.577 30 20 JKED O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2-c2ccccc2F)cc1 916319611 CELHVPGLFAKTLE-UHFFFAOYSA-N 485.504 5.016 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccccc2F)c1)c1ccc(Cl)cc1Cl 916319846 PISUFODRBOVFNJ-UHFFFAOYSA-N 486.359 5.814 30 20 JKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846433 VKMLWPYRMKGCGR-GWCFXTLKSA-N 478.426 5.940 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cnn1-c1ccc(Cl)cc1 916886819 KTXJFBLIEKHMFQ-QGZVFWFLSA-N 460.893 5.110 30 20 JKED N#C[C@H](C(=O)COc1ccc(Br)cc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 916907174 WSVCRTVBIQQNFX-QGZVFWFLSA-N 499.748 5.621 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1 916914471 LSKFVOZDJOUALK-QFBILLFUSA-N 496.658 5.326 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916917832 KCDJDOJOHZQMFE-LIRRHRJNSA-N 453.361 5.430 30 20 JKED N#C[C@H](C(=O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995725 GLODGBLNRBMTIB-CQSZACIVSA-N 492.771 5.372 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 917032882 VSBZTXMKSLBTEB-HYZKGVGESA-N 479.671 5.926 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 917043879 PXEZLNUMOMHZQJ-GFCCVEGCSA-N 463.531 6.228 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(Oc3ccc(F)cc3F)CC2)c1=S 917468272 RKJLOGSZBBDGDD-UHFFFAOYSA-N 472.561 5.055 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)NC1=O)Nc1ccc(Oc2ccccc2)cc1 917634885 FSEKFZSHGYWJOJ-HSZRJFAPSA-N 457.555 5.216 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917699694 FIKBYYNMALZVSR-GAJHUEQPSA-N 461.587 5.054 30 20 JKED O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918735257 GMDILXHTMYNPHN-HTQZYQBOSA-N 455.233 5.089 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 919195301 CJUVXYMIBSOBJX-LJQANCHMSA-N 487.604 5.173 30 20 JKED CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N(CCC#N)c1ccc(C)c(C)c1 919558990 XRBKCCPLQJMTTO-UHFFFAOYSA-N 490.387 5.453 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 919864134 HXRYFMKJTAEWPI-PFONDFGASA-N 461.543 5.010 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)C(=O)Nc1ccccc1Cl 920109324 OQFPZJAQPOVNNS-CQSZACIVSA-N 472.726 5.038 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)C2)c1 920140205 AAYREKOXGRBEBT-IFMALSPDSA-N 469.570 5.111 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O 920169494 FZKINGVSZVYWFZ-FQEVSTJZSA-N 497.573 5.054 30 20 JKED C[C@@H](OC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1 920913127 WIMHHSAQJMDDAI-CYBMUJFWSA-N 456.285 5.236 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1F 921254562 YIEVOBXLZXYQHA-QFIPXVFZSA-N 471.598 5.220 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 1465300716 IVVABQWWYABJAH-QFIPXVFZSA-N 458.562 5.350 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(c3ccc(Cl)cc3)CCCCC1)CCO2 1778885250 ILINMVOACNXOEB-IGKIAQTJSA-N 485.068 5.140 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1 1785799434 AZMIBTIRRZLJAO-PXNSSMCTSA-N 491.579 5.025 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCCc3ccccc3F)cc2)CCC1 1786118516 OQEKGKKBNPSFNK-IBGZPJMESA-N 453.558 5.083 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCCOc4cccc(Br)c4)cc3)CCC2)C1 1786308052 BPTFPPZKPPLBHF-UHFFFAOYSA-N 497.433 5.708 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(OC)cc3)CCC2)cc1 1786366589 NPKXRNYLWGJOIL-UHFFFAOYSA-N 499.611 5.488 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](S)C(C)C)cc3)CCC2)cc1C#N 1786395794 IRWOJXMDBLZOHB-HSZRJFAPSA-N 465.619 5.048 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)CCCc4ccncc4)cc3)CCC2)c1 1786904746 SJPDHXMDXWTXNW-UHFFFAOYSA-N 466.585 5.043 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4noc5ccccc45)cc3)CCC2)c1 1788173462 WFEFQWNXXUKUMT-LJQANCHMSA-N 478.552 5.445 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccsc3)cc2)CCC1)NC(=O)OC(C)(C)C 1788242796 KUTAQEILFJDMCC-QFIPXVFZSA-N 497.661 5.284 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c(C(C)C)nn4ccccc34)cc2)CCC1 1788395524 ABXSSOYGZDDAIA-UHFFFAOYSA-N 462.619 5.125 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5s4)cc3)CCC2)c(C#N)c1 1788415716 MCJGDFRWZJVZSC-UHFFFAOYSA-N 485.565 5.365 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H]3C)cc2)CCC1 1789213890 LROGREOCVHGPPB-YUXAGFNASA-N 469.626 5.026 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CCC1 1789775405 KIWSYJVORTXETL-UHFFFAOYSA-N 498.564 5.101 30 20 JKED COc1ccc([C@@H](C)C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(OC)c4)cc3)CCC2)cc1 1790073009 PGNPULRNWQUEEZ-LJQANCHMSA-N 483.568 5.127 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)nn1C(F)F 1790133895 FFZYTKCJAIBBKZ-MRXNPFEDSA-N 477.515 5.275 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)C4(c5ccc(Cl)cc5)CC4)CCC3)cc2)c1 1790149233 XNTMJRYAYAXCKO-UHFFFAOYSA-N 458.949 5.019 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CCCc3cc(OC)ccc3OC)cc2)CCC1)C(F)(F)F 1790533476 WZYHYGXBCDVWAC-UHFFFAOYSA-N 490.522 5.279 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5ncccc5c4)CCC3)cc2)cc1 1790705253 NYMAKQSBMCSBLC-UHFFFAOYSA-N 474.564 5.291 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)cc1 1790706714 QVMUWNXMILBLAH-UHFFFAOYSA-N 454.555 5.357 30 20 JKED Cc1ncc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)s1 1790767271 SCPARVUGJJOSHI-UHFFFAOYSA-N 450.951 5.038 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccccc45)CCC3)cc2)c(Cl)c1 1790768030 XTEMMYUABLXNIR-UHFFFAOYSA-N 469.932 5.149 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)cc2s1 1790881037 ANXJNLWHYDAQHM-UHFFFAOYSA-N 484.581 5.236 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1 1790954381 IAUUAZJSCTYTPN-UHFFFAOYSA-N 465.509 5.131 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5[nH]nc(C(F)(F)F)c5c4)cc3)CCC2)C1 1790985894 ITDLVEUOKYAHDO-UHFFFAOYSA-N 468.479 5.296 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3Cl)CCC2)cc1)C(F)(F)F 1791302374 AAYJRCSMBQUOLN-UHFFFAOYSA-N 458.267 5.255 30 20 JKED COc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)n1 1792123212 NTOOSWAAMVVHBZ-FQEVSTJZSA-N 482.584 5.098 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)CC)CCC2)cc1 1792336703 HRIFTWSHVMRTQF-DSNGTPCMSA-N 469.626 5.026 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Cc1cccc(Br)c1)C2 1793054624 FLKVBSOLWNHVKX-OCYFJXFZSA-N 473.455 5.034 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#Cc3ccccc3)ccc21 1795690972 SOPDFEHNIGFQDH-QEIWAGNOSA-N 475.592 5.118 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCC(=O)OC(C)(C)C)C2 1798340371 WUHZHBAULSAVFL-BJESRGMDSA-N 460.659 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(Cl)c1 1800382229 OUORDICSBQRWBL-BJWYYQGGSA-N 467.835 5.347 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)cc1 1800740961 SCDYYYRLDNZDFC-KOUNCHBCSA-N 499.533 5.320 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C(C)(C)C)nc3)[C@@H]2c2cccnc2)c1 1802343903 XDGFJCUENHQELO-SGGJORCASA-N 495.627 5.035 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2c2cccnc2)cc1 1803604212 QIIBHJVKDOUIAX-MVNQZMKCSA-N 487.669 5.331 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)C1 1804858621 VOIRODYLPWLHHT-UHFFFAOYSA-N 463.622 5.487 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1 1804866531 FEDWUSMSPGXUAQ-UHFFFAOYSA-N 475.555 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(OC)cc3Cl)C2)CC1 1806744488 OBCLBGQISVANCV-UHFFFAOYSA-N 461.046 5.115 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C)c3)C2)CC1 1810360168 FNCXLUUHECEDKA-UHFFFAOYSA-N 467.560 5.113 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1)c1ccccc1 1810446798 HYTHFCYFAFSAJD-ISLKCMPMSA-N 483.656 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(Cl)s2)[C@H]1c1cccnc1 1810492898 RHSRKYQNRXAACQ-GCJKJVERSA-N 460.043 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1 1810495305 MUCQJRXTLRXBBT-NZQKXSOJSA-N 450.627 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810503207 OUYOKOVGZYMZDE-UGKGYDQZSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1811763378 IOLSVJVWXDKMFM-DENIHFKCSA-N 473.539 5.412 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1812958310 NJBAPROOPUZEGF-PQHLKRTFSA-N 494.639 5.248 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1813977091 YOGFOOOJNJFXEQ-YSGRDPCXSA-N 499.986 5.028 30 20 JKED CCOc1ccsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814343699 LJABMFYDOHIJAX-GOSISDBHSA-N 483.981 5.015 30 20 JKED Cc1cc(Cl)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1814593385 MKSHJKWIJXPXLQ-JOCHJYFZSA-N 461.953 5.057 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2)[nH]n1 1814828381 JGKZKTCRFUSCTG-FQEVSTJZSA-N 458.509 5.085 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1 1815209065 WPWYFLLKDZPXAM-SFHVURJKSA-N 465.381 5.005 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CCCCC3(F)F)n[nH]2)c1Cl 1815352279 LIXAVHODHHFZLR-SJLPKXTDSA-N 475.927 5.066 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815683136 PMGFYKAAUMJANW-FYYLOGMGSA-N 485.028 5.683 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)noc2C)n[nH]1 1816333046 AYDCHBDRRATTPI-JOCHJYFZSA-N 473.577 5.447 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(-c3cccnc3)n2)n[nH]1 1818148375 OSTFQSRWBBBYNN-HXUWFJFHSA-N 478.622 5.227 30 20 JKED Cc1cscc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1818242134 KJXDTUQMGMKYEZ-NRFANRHFSA-N 477.590 5.058 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4cnccc4c3)n[nH]2)c(Cl)c1 1818645149 NQZJHXKOXUWBFL-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)cc2Cl)[nH]n1 1819310048 ONYNENXMLYFAOS-VOIFRGJBSA-N 468.985 5.243 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c4ccccc4n4ccsc34)n[nH]2)C1 1820100936 DVNXGJCZFSANOF-FQEVSTJZSA-N 459.575 5.149 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)c1 1820207809 BMJGTILFCAWPIM-FQEVSTJZSA-N 498.370 5.216 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)Oc1ccccc1 1820221613 ZAHNVUVZQQGPFG-JTSKRJEESA-N 491.979 5.098 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)[nH]n2)c1 1821275098 CPQCOXUOHIYPPW-QFIPXVFZSA-N 491.954 5.112 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)n[nH]2)c1Cl 1822327523 OOAAFZGEUGISAQ-RZUBCFFCSA-N 473.964 5.044 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1822393417 YBPSWWLZCOHZHF-SFHVURJKSA-N 466.891 5.191 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](C#CC)c2ccc(O)cc2)n[nH]1 1822466878 DKWVHWSATYLBEQ-UMXIMWEHSA-N 474.605 5.073 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c1 1823218000 XXZSBEQGNAIMGE-QVKFZJNVSA-N 479.943 5.449 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)c(Cl)c3)n[nH]2)c1 1823311357 YEENSQMIGDQFSS-KRWDZBQOSA-N 491.766 5.189 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1 1824143927 TWIHXKJAJMVYKT-JOCHJYFZSA-N 463.544 5.102 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](c3ccccc3)C(C)C)CC2)c1 1824242529 VPDJZFTYONIZID-NSOVKSMOSA-N 487.644 5.240 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCC3)CC2)cc1C#N 1824354779 LNOZRKHGDLHHDI-VWLOTQADSA-N 465.638 5.159 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)CC1)c1ccccc1 1825367120 KOWWDOCHNASYCW-UPVQGACJSA-N 496.026 5.305 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1826383225 RPBVKIINPNJYJK-VWLOTQADSA-N 482.665 5.270 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ncccc4c3)CC2)c1 1828034996 QGEHOWKDQZGEPC-PIKZIKFNSA-N 480.612 5.409 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c12 1828549853 PHPAGLKTDCMKED-ZBLYBZFDSA-N 482.628 5.651 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1829068548 CUWSVYMWEOSSFN-PKTZIBPZSA-N 491.717 5.292 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)c1 1829574000 RZVMVAOHCHGCRO-XMMPIXPASA-N 495.583 5.175 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)CC1 1829682636 RBYKFLIURHECCB-AREMUKBSSA-N 474.649 5.369 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cnccc34)CC2)c1Cl 1829690102 KXGWTSCUGSOERV-RUZDIDTESA-N 487.003 5.307 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1830153807 FWUZJKKSYWDEGU-YKSBVNFPSA-N 483.056 5.147 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1830416533 UWLGRAFDCAVVOH-AJTFRIOCSA-N 490.648 5.091 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830597384 WOIVSDKZOPILFE-QHCPKHFHSA-N 458.668 5.016 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c(C)o1 1830755454 YMLHXCFVISTBMX-QHCPKHFHSA-N 487.522 5.334 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c1 1830770408 WOCMKTTYWPWWKG-VWLOTQADSA-N 472.614 5.024 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc(F)c1F 1832620426 CGEWQHNBCBEAPG-AVRWGWEMSA-N 479.571 5.447 30 20 JKED Cc1cc2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c2cc1C 1832632434 QFDHCEZUIRMHFS-JIPXPUAJSA-N 497.643 5.354 30 20 JKED COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1F 1832751892 CBLRZWVXFAVKTD-NTKDMRAZSA-N 477.580 5.008 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1835033522 HWEIEGYMZBMUAZ-UHFFFAOYSA-N 499.099 5.307 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)CC1 1836696326 CUSOAOPVLIFHAR-UHFFFAOYSA-N 484.040 5.202 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)CC1 1838303792 PLAIECGAHFGANN-KRWDZBQOSA-N 491.554 5.011 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1847619476 RDXOMFZZGZMXBB-NGKMOHNRSA-N 450.957 5.027 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 8633268 FAHSDBMXEPDODA-CYBMUJFWSA-N 493.576 5.518 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(C(C)(C)C)cc1 10118263 LWEWZJPJSRGXHZ-UHFFFAOYSA-O 455.550 5.609 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](C)c2ccc(Br)cc2)n1 10399579 UPIAOHIGPKFOJK-LLVKDONJSA-N 458.303 5.013 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(CO)c1)c1ccc(Cl)c(Cl)c1 10757077 NVDCLYBJEJZPAC-UHFFFAOYSA-O 484.787 5.617 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11114144 ZAMBKHKXSNOTBW-UHFFFAOYSA-O 483.629 6.391 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1C 12210942 LYHBNQCIMOCOMH-UHFFFAOYSA-N 485.613 5.551 30 20 JKED O=C(C[C@@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1ccccc1Cl 15231809 JWILNDVNLVHDQN-NRFANRHFSA-N 465.962 5.167 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 16150323 BSAAOWCFCSHRPY-QHCPKHFHSA-N 476.920 5.063 30 20 JKED COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccccc1-c1ccccc1C#N 18119843 USZLWEHBJWZQAN-UHFFFAOYSA-N 489.597 5.051 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2cccc(O)c2)cc1 22728606 BZAHEHUCSFCCGP-UHFFFAOYSA-O 470.412 5.617 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 23603038 NOJSNOFTLITMAO-UHFFFAOYSA-O 484.645 5.247 30 20 JKED CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(OCc2ccccc2C#N)cc1 32144655 KSOZYKCHXMGMTN-UHFFFAOYSA-N 481.474 5.257 30 20 JKED CCOCCCNC(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 107972247 FFIVKKGDVVLCDU-UHFFFAOYSA-N 459.571 5.118 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 116552896 MGMZVXVNPFMMSA-PMACEKPBSA-N 471.557 5.221 30 20 JKED C[C@@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 216056314 XZAUSYOPNLPHJM-CYBMUJFWSA-N 476.549 5.654 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(C(=O)c2ccsc2)CC1 302985444 KITBAYSHPISPGO-UHFFFAOYSA-N 460.559 5.101 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 303307916 QBUSSZYVCRYPCL-OAHLLOKOSA-N 467.595 5.402 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 303365046 QWXFBZRBOTZILO-AWEZNQCLSA-N 484.375 5.941 30 20 JKED COc1cc(OC)c2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[nH]c2c1OC 490653899 ZKDSXYBAMLSIIP-UHFFFAOYSA-N 471.513 5.091 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCc1ccccc1Sc1ccccc1 499571987 JMGTUFAKZWPAKP-UHFFFAOYSA-N 480.549 5.152 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 500993641 DWLLRRUZRHSHLN-QHCPKHFHSA-N 463.537 5.390 30 20 JKED N#C[C@@H](C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nc2ccccc2s1 501281213 BYPQGCDROKQVDP-HNNXBMFYSA-N 453.449 5.263 30 20 JKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc2scc(-c3cccs3)c2c(=O)n1CC=C 501584274 YVEFUYPGENBPRL-OAHLLOKOSA-N 457.646 5.054 30 20 JKED COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 503718163 QHMTUSYIBBNDQQ-MHECFPHRSA-N 468.557 5.249 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Br)cc1 507824838 KGUIBUTVCRSWGA-HNNXBMFYSA-N 466.335 5.561 30 20 JKED C=CCn1c(S[C@H](C)c2nnnn2-c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 509597106 XWODDCQSWGZXBE-MRXNPFEDSA-N 472.599 5.140 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 510729591 JZQZDOXNDWEDDA-SANMLTNESA-N 497.574 5.553 30 20 JKED CCCN(C(=O)COc1c(Br)cc(C#N)cc1OCC)[C@@H](C)c1ccccc1OC 515067844 IZNBTLVYIJAENW-INIZCTEOSA-N 475.383 5.107 30 20 JKED N#C[C@@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc(-c2ccccc2)cs1 515542859 CJUQZWRIQVTAAN-QFIPXVFZSA-N 466.591 6.240 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1C 515944285 JIDPUOLYIOMKHI-UHFFFAOYSA-N 497.986 5.278 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccc(OC(C)C)cc1 517517923 MHNSTWAKUQRLLQ-DEOSSOPVSA-N 485.975 5.924 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)n1 518661543 LQTJAGNTBCPNLF-ZDUSSCGKSA-N 461.362 5.301 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 519413110 BICUVZNQDYRLSL-MRXNPFEDSA-N 460.584 5.015 30 20 JKED CCc1ccc(-c2noc(CSCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1 519433104 RBZKXSYDGVSHAZ-INIZCTEOSA-N 452.605 5.565 30 20 JKED O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 520796103 UGMFVBUWSDRZOE-UHFFFAOYSA-N 498.761 5.826 30 20 JKED CC(C)OCc1ccccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 521218883 VZWZARZZAGPXMI-UHFFFAOYSA-N 477.948 5.184 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 521808108 CYEVMKTUUVSOGH-OAQYLSRUSA-N 481.625 6.314 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCC(C(=O)N3CCSCC3)CC2)cc1Cl 522425206 RZKQEIHJTHKFJL-YABDQXBESA-N 497.064 5.251 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 523230338 XWUCCLYHCOYEQO-QGZVFWFLSA-N 480.496 6.314 30 20 JKED COc1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1OCc1ccc2ccccc2n1 524437355 ILZVECZQJHKISF-UHFFFAOYSA-N 493.567 5.048 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCNC(=O)CC2CCCCC2)cc1Cl 549319279 MWOUWBIRTZVLRA-JOCHJYFZSA-N 452.986 5.204 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 590254063 MJQJEDZVYIQYBM-UHFFFAOYSA-N 469.788 5.767 30 20 JKED N#Cc1c(NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)sc2c1CCCCC2 603806909 XYHTWBXDGSRVQB-JOCHJYFZSA-N 457.555 5.083 30 20 JKED Cc1nc(SCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c2c(C)c(C)sc2n1 603995452 DJCMDHPNJJHQFS-UHFFFAOYSA-N 487.610 5.471 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 604288693 PQQAJINFFKQQQF-HDICACEKSA-N 485.428 5.926 30 20 JKED N#C[C@@H](Cc1ccccc1)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 604493676 XNOJYCRVVISFTN-JOCHJYFZSA-N 485.579 6.641 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnc(-c4ccccc4Cl)s3)c2)c1 604517498 IWAGXFQUPFLRFC-UHFFFAOYSA-N 458.930 5.840 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 609026638 VSEPSCSCDGPCBF-UHFFFAOYSA-N 492.885 5.437 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)cc2Cl)c1 609079911 OBTRBKVHDHGTDS-DEOSSOPVSA-N 460.965 6.335 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 609191506 MOWPWCNLXDJUAJ-XDJHFCHBSA-N 462.575 5.924 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 609208283 PEFSQJKKESRQLH-UHFFFAOYSA-N 495.539 5.821 30 20 JKED COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)c2c[nH]c3ccccc23)cc1 609399851 RSYUBQFPPIIHFV-QFIPXVFZSA-N 498.608 5.069 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609401795 WZOJODIVSNNKGM-IBGZPJMESA-N 477.508 5.022 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 609402415 YTKPEBZLRQSSQL-HNNXBMFYSA-N 499.061 5.546 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)cc2)c1 609426856 MZQPKQOZPILPHN-UHFFFAOYSA-N 468.534 5.577 30 20 JKED N#C[C@@H](C(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)c1ccc2ccccc2n1 613292528 NUIABTFPRJLPRA-HXUWFJFHSA-N 488.316 5.879 30 20 JKED Cc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1NC(=O)c1ccccc1F 617898156 QFDLLAPTUQZJGD-QGZVFWFLSA-N 497.473 6.505 30 20 JKED O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517898 QVNXIGCUGLFYRV-HNNXBMFYSA-N 489.338 5.087 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cc1 642282721 YUGJDEIFYCIDMW-HXUWFJFHSA-N 494.523 5.055 30 20 JKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 642677806 SYNWEAXNJPJVHY-UHFFFAOYSA-N 456.314 5.452 30 20 JKED C=CCn1c(SCC(=O)c2ccc(OC)c(Br)c2)nnc1-c1ccccc1F 645077358 NWFPDEBYBVAUJU-UHFFFAOYSA-N 462.344 5.016 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 726321961 QKMAIFZOFAQEAH-AOMKIAJQSA-N 452.514 5.673 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(CC[C@H](C)OC)C1=O 726391607 AWMHUUFULCESQU-MBSDFSHPSA-N 483.634 5.204 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 726392822 KICASKNGSYZECP-AVRDEDQJSA-N 471.598 5.136 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N\[C@H](C)c2cccs2)c1 726421494 QVWSXARATFMQML-NXBLHBGRSA-N 497.617 5.486 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(C2CC2)C1=O 726421515 NLEMSWCCWYLWCL-PDNRQDKUSA-N 457.621 5.089 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(C3CCCC3)C2=O)c1 726422519 XAEJFBAOCQVOFE-PRLFLVJASA-N 457.621 5.089 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc(C#N)c(Cl)c2)cc1 726570577 GSQHASDWNYFXPG-UHFFFAOYSA-O 480.013 5.379 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCC(C)C)cn1 726891597 OUXONFVLJZRPJI-GOSISDBHSA-N 494.539 5.115 30 20 JKED COc1cc2c(cc1NC(=O)COC(=O)c1ccc(COc3ccc(C#N)cc3)o1)oc1ccccc12 728109735 CJQPRNJHUNJMSH-UHFFFAOYSA-N 496.475 5.434 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 728147992 RFAKTBVMIJVRIF-RUZDIDTESA-N 485.971 5.632 30 20 JKED Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 728187876 BOMDBCWNIDBIKO-DEOSSOPVSA-N 469.928 6.402 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1CCCCC#N 728776881 FWZUMTYENZHTAU-HXUWFJFHSA-N 499.980 5.211 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2c(C)noc2C)c1 730444259 KQWBAMMRECBNBO-JOCHJYFZSA-N 498.555 5.081 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)NC2CC2)C(=O)N1[C@@H](C)c1cccnc1)c1ccc(Cl)cc1Cl 730945369 QSEWLXBSMYUOKY-NWBFRZOMSA-N 491.444 5.179 30 20 JKED Cc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2Cl)o1 731307585 UMMIJTCCTDSRNB-OAQYLSRUSA-N 483.977 5.150 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731400884 XDGVRVDTOGEQEL-OFVILXPXSA-N 490.604 5.994 30 20 JKED C=CCN(C(=O)COC(=O)c1cnc2ccccc2n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 749657848 WPBCASWYUYEPKV-UHFFFAOYSA-N 499.379 5.436 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(C)cc2OC)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 797293800 XRQUQSWGOIZOGK-FMIVXFBMSA-N 499.485 5.945 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CC(F)(F)F)C2=O)cc1 799218661 CZAKMBIHHGFOJP-MRXNPFEDSA-N 455.889 5.171 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N([C@@H](C)c2ccccn2)C1=O 837299302 FXUWTTDRNGGVIK-YADARESESA-N 488.613 5.429 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 837672564 GOZWXYFAGWWGAX-IIBYNOLFSA-N 496.539 5.405 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2F)cc1 838031134 AJFMAPPLGCNHGY-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccccc2)c1 913118486 VCXQNURBADHUSO-DEOSSOPVSA-N 486.597 5.114 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 914547360 NFXJUESCZNDTIT-HXUWFJFHSA-N 498.967 5.043 30 20 JKED CN(Cc1cccc(C#N)c1)Cn1nc(-c2cccnc2)n(-c2ccc(Br)cc2)c1=S 914783388 GJKFQNXWVHFBAR-UHFFFAOYSA-N 491.418 5.189 30 20 JKED CCOC(=O)N1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 915102979 MNADRNJCOIRRGT-OAHLLOKOSA-N 452.363 5.162 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OC 916135374 UZQPQPJLTJTZEJ-YRNVUSSQSA-N 486.351 5.924 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1c1ccccc1OC 916231482 DFMIJINVTUFYQO-HSZRJFAPSA-N 475.570 5.177 30 20 JKED C=CCc1cc(OC)ccc1OC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 916557821 WLLTYISPTVAYGV-UHFFFAOYSA-N 470.616 5.242 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)s1 916845859 RVBVTFJKEFFSLZ-CYBMUJFWSA-N 466.613 5.188 30 20 JKED Cc1cc(/C=C\C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1C1CCCCC1 916847369 PCWZSOUMXRERHB-BIGNBACZSA-N 474.630 6.089 30 20 JKED N#C[C@H](C(=O)COc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 916928581 OFEGOALGUNVVBI-LJQANCHMSA-N 453.325 5.311 30 20 JKED N#C[C@H](C(=O)Cc1cnn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995661 BWEGBSGFHWOHFM-QGZVFWFLSA-N 454.342 5.117 30 20 JKED CS(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)ccc1Cl 917031402 SHVSHLFGQAFBHA-ULYJJNKVSA-N 475.035 5.158 30 20 JKED CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc3ccccc3c2)cc1 917610317 MAUFQKSEEUPEKA-UHFFFAOYSA-O 484.645 6.397 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1cc2ccccc2o1)[n+]1ccc2c(c1)CCCC2 917612106 HDLUQLYMXOYFII-UHFFFAOYSA-O 452.559 5.794 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cs1 917644077 AGCNGUUCYCDAGS-RGVLZGJSSA-N 476.608 5.414 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccc(C)n2)cc1 917684447 FBDXFRJYRVTCQJ-QHCPKHFHSA-N 492.576 5.088 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 918487515 OBZORDXHVGFJFP-MRXNPFEDSA-N 492.345 5.375 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1c(C)noc1C 920354785 FZLWXCOZFKPEEX-JOCHJYFZSA-N 462.575 5.014 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 920783582 PGCDNYQUUPMDLR-SXOMAYOGSA-N 455.558 5.564 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2c(F)cccc2F)cs1 920803769 BWRHVYCBGSHPNV-CQSZACIVSA-N 470.888 5.601 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 921255092 WRIXPSSGVDSSMW-JOCHJYFZSA-N 471.598 5.220 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3=CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786282368 HPQXZDJBTVSVMQ-UHFFFAOYSA-N 481.637 5.290 30 20 JKED CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1)N(CC)CC 1786450078 HNDGWXHVFAUVNO-CJFMBICVSA-N 460.622 5.182 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)cc2)CCC1 1787029740 AKGLTYCILIPMRC-UHFFFAOYSA-N 485.584 5.247 30 20 JKED Cc1cnc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1787568353 QRPCTNSIUNZQKZ-UHFFFAOYSA-N 458.949 5.171 30 20 JKED Cc1ccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)cc1 1788029453 YARCVUMZVJAECE-UHFFFAOYSA-N 495.627 5.087 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CC5)CCC4)cc3)n[nH]2)ccc1Cl 1788312493 KDTBDMDDDQNHLP-UHFFFAOYSA-N 473.964 5.090 30 20 JKED COc1ccccc1CCC(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649654 UNVYGJRPWXGCJX-JQIJEIRASA-N 488.609 5.263 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(N4CCCC4)ccn3)cc2)CCC1 1788749648 JFKKFCBXBPKTOA-XMMPIXPASA-N 458.606 5.198 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)C3(F)CCCCC3)cc2)CCC1 1789160336 WHDYYNSDXJFEBI-VAWYXSNFSA-N 454.567 5.294 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454494 ZKIWRWSGDUFBLK-REWPJTCUSA-N 481.637 5.146 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ccccc5)nc4)cc3)CCC2)CCC1 1789958083 YBXFLAHDMJMOCD-UHFFFAOYSA-N 450.542 5.190 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(F)F)cc3F)cc2)CCC1 1790060905 NZLHOISNDSOCPP-UHFFFAOYSA-N 464.509 5.094 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C34CC(c5ccccc5)(C3)C4)CCC2)cc1 1790570004 YDRJAJUEINSODO-RHKGEPBNSA-N 459.590 5.043 30 20 JKED Cc1nc2ccc(F)cn2c1C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1790881323 SZUYGSZUFGBLMA-UHFFFAOYSA-N 495.558 5.034 30 20 JKED CCc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124927 OTYLAJJSLGFUEP-QGZVFWFLSA-N 456.546 5.234 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CC4CCC4)cc3)CCC2)ccc1Br 1792272264 NCFMEYVAZPQMFM-UHFFFAOYSA-N 466.379 5.259 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2 1798420556 SQBPFPUFMZKQCC-WKCHPHFGSA-N 470.686 5.343 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800009586 RILDLLZZNGMBIA-DXGJXXFVSA-N 480.052 5.648 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)cc(Cl)cc1Cl 1800576887 KFXGQODATNCASY-BCDXTJNWSA-N 483.487 5.435 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)cc2C(F)(F)F)C3)c(Cl)c1 1800691499 SAXIKBMUBJLFFQ-MUJYYYPQSA-N 496.316 5.449 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2)c1ccc(Cl)cc1 1801554251 AHSMBMMURVPHRV-LOULNAIUSA-N 478.036 5.659 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)[C@H]2c2cccnc2)C1 1802417465 MGMOVSBZSWMDDG-RLWLMLJZSA-N 480.568 5.109 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cc(OC)cc2C)[C@H]1c1cccnc1 1802501146 TVOYONAXTDLYED-RDGATRHJSA-N 463.622 5.019 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1803088832 HQEBOUXNFXZWOP-IXCJQBJRSA-N 459.634 5.105 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1804212821 JGZDZLNOUWCABN-RWUBSVTLSA-N 496.051 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1804380646 SUQVZOYJGZDOCU-MVZTWJGLSA-N 468.601 5.051 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC2CCCC2)[C@@H]1c1cccnc1)c1ccccc1 1806203962 NASMAQQPUCICFN-YCVJPRETSA-N 471.645 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1807842168 GBWBXAGPXBXUEC-BOCWGRARSA-N 494.639 5.540 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3cc(C)[nH]c23)[C@H]1c1cccnc1 1809270024 GCZIDZRTPKDTAX-RCZVLFRGSA-N 458.606 5.183 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ncsc23)[C@@H]1c1cccnc1 1809955344 GVGBOVDKVPJKND-KNQAVFIVSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1810175444 RWFBPNPVGYZXSU-HLIPFELVSA-N 478.445 5.538 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(F)c2)[C@H]1c1cccnc1)c1ccccc1 1810443802 MDGWMPQAQUYWMW-WIRXVTQYSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1810492281 MFIZJZNBSAAZRR-LBNVMWSVSA-N 484.644 5.261 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1810499265 WVOBIDSVJPQMHA-YKSBVNFPSA-N 465.663 5.334 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1811202916 QXHPMGCOFQAXAS-LEAFIULHSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1811714439 CRYSLCPSKORDMB-YYDVJCTNSA-N 472.416 5.476 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811734272 PQJNDHGJEOYCJA-AECXWJALSA-N 491.016 5.091 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1814444095 TWNLGRMZQPPNAW-HXUWFJFHSA-N 451.596 5.318 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1814568347 NDLOARGYZNKEGE-DEOSSOPVSA-N 492.583 5.481 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1814731248 JNEACDNTSGJAPM-XHNVNVPESA-N 485.588 5.155 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)[nH]n1 1815244097 XDYSVQAIAONULG-NZQKXSOJSA-N 499.587 5.010 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1815245758 AQNBZEHQKGSGDB-XXBNENTESA-N 494.702 5.039 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971774 PFUZXVNVIRWKPM-OPAMFIHVSA-N 496.999 5.027 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1819304722 HMDWVTMKZZOBCE-KXBFYZLASA-N 484.025 5.747 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C23CC(c4ccccc4)(C2)C3)[nH]n1 1819311061 JUUJUXZBIAXTTC-MAJVRKIDSA-N 458.606 5.292 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ncoc3c2)[nH]n1)c1ccccc1 1819518889 HZKAPDDYHIXIOS-QPPBQGQZSA-N 481.556 5.054 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccoc3cn2)[nH]n1)c1ccccc1 1819520485 JSYUGSOWXMDDJO-QPPBQGQZSA-N 481.556 5.054 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)[nH]n2)c1Cl 1820218164 TVDFARBBSIQVJA-NRFANRHFSA-N 497.933 5.152 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434376 ASKHRNABOKHFGN-QPPBQGQZSA-N 478.618 5.462 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)[nH]n2)c1 1820486219 XZROMEVGTOFDNK-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1 1820805195 XAJIHJZQYITWNC-TZIWHRDSSA-N 487.645 5.008 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1820977782 YCWSYJAPCLTVGH-DVECYGJZSA-N 473.577 5.184 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3F)n[nH]2)cc1 1821087552 COIBODHGFLUEML-IBGZPJMESA-N 485.441 5.059 30 20 JKED Cc1noc(C)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n[nH]1 1821152009 ZVZVUIGEIAZGLO-VWLOTQADSA-N 493.567 5.034 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)[nH]n2)cc1 1821182337 OQHJINJMNMPPEV-HSZRJFAPSA-N 486.963 5.230 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)ccc(Cl)c2O)n[nH]1 1821266316 IZFSFLVUQAICCN-RDTXWAMCSA-N 477.392 5.496 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821270708 BMCXMKKAJJHUEQ-NRFANRHFSA-N 465.916 5.002 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1ccccc1 1821279424 BPRLUCJIMUUCNF-SBUREZEXSA-N 475.980 5.434 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](C#CC)c2ccc(O)cc2)n[nH]1 1822469036 DKWVHWSATYLBEQ-PFATUAPWSA-N 474.605 5.073 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)[nH]n1 1822584302 IBYLODGBIIUWBH-URVUXULASA-N 452.986 5.053 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccn(C)c34)[nH]n2)c1 1823215443 RUYJZLZILPPPTB-MHECFPHRSA-N 480.572 5.148 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)n[nH]2)cc1 1823299665 BFEBPWZXTLHVBT-HXUWFJFHSA-N 485.441 5.059 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1823885062 DJNYMQDLXHKBST-RUZDIDTESA-N 461.581 5.276 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 1824052679 SDXHDUITQZAYRF-RUZDIDTESA-N 469.585 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 1824143252 IXLNBTPOTOOENN-QHCPKHFHSA-N 459.030 5.350 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1824143454 ODWVELLKDIBCLE-MUUNZHRXSA-N 471.645 5.750 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)c1 1826477312 YEJUGTRJMHFSQD-RXFWQSSRSA-N 478.036 5.443 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1826513740 BGQAXKKMNTYEGP-RUZDIDTESA-N 497.561 5.362 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)CC2CC2)CC1 1826605586 PBJYZBYHCIWAAE-NDEPHWFRSA-N 454.614 5.120 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828653223 OVMLBHYEZUZFFH-HHHXNRCGSA-N 489.736 5.519 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc3cccnc3cc2F)CC1 1828827486 OBQQHJLKEOCOMI-SQHAQQRYSA-N 477.624 5.305 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nn2C(F)F)CC1)c1ccccc1 1829032649 PTCSMMSNQKIOQQ-BJKOFHAPSA-N 496.602 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccco3)no2)CC1 1829067688 VFVGSNWRGSOMEJ-NRFANRHFSA-N 453.583 5.160 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829069114 KTVBYWMWADHQSY-OAQYLSRUSA-N 465.560 5.326 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1829182251 KDOAJZFLHOWROT-JTSKRJEESA-N 499.442 5.563 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1829673360 OWXPXXIKTATFKW-XHCCPWGMSA-N 486.591 5.481 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1829708908 YSJMJIRXLMXAOF-YADARESESA-N 499.051 5.326 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)cc1 1830061970 KGYBSMGMHUOMHV-XMMPIXPASA-N 494.433 5.176 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)Oc3ccccc3)CC2)c1 1830406303 OCPAXJRUAURQPK-VHFRWLAGSA-N 473.617 5.014 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830449232 JBDVKDBXRAWXOI-PISWEHOVSA-N 486.628 5.436 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(Cl)c1 1830722806 REKNCFKZHDLNSQ-QHCPKHFHSA-N 471.935 5.037 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1830828407 WRNWFHYHACAOHW-KJOQGJGQSA-N 489.664 5.130 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1831846071 VLDCTBAMJNTHLQ-YADARESESA-N 452.620 5.031 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1832034695 RWOSFTKDTIPHLR-VPUSJEBWSA-N 454.630 5.379 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1832629496 SGGHTPMCIPEKMG-DFHRPNOPSA-N 482.628 5.051 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832666948 QKHRSAYMWTUPSW-DVECYGJZSA-N 494.035 5.523 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832730937 BXCUILHACKAUDK-NTKDMRAZSA-N 456.602 5.060 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CC1 1836883666 PZSIHMHGRLZYAP-AREMUKBSSA-N 498.664 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1837685078 ZXUGIYQTURLTOF-KCWPFWIISA-N 482.709 5.807 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1838390813 LHFOZORCRNDWHN-UHFFFAOYSA-N 474.762 5.029 30 20 JKED N#CC1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)CCCC1 9823492 GSIGCSPYFXRLJU-UHFFFAOYSA-N 472.401 5.286 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(Cl)cc2)cc1 10832720 DNBVKUGUSTYYCP-UHFFFAOYSA-O 452.043 6.754 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 11261452 OFSYGISCRUJSOU-UHFFFAOYSA-O 459.635 6.036 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11263787 RJLVRLBHRGCGIT-UHFFFAOYSA-O 453.578 6.379 30 20 JKED C[C@H](OC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C#N 11514413 QRFOWUSUPWXSIL-SYTKJHMZSA-N 456.342 5.179 30 20 JKED O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 12680584 VURKCHRWAFQIKY-UHFFFAOYSA-N 465.350 5.644 30 20 JKED C=CCn1c(SCC(=O)NCc2ccccc2C)nc2scc(-c3cccs3)c2c1=O 19046447 CMPMZGMMDMGRTJ-UHFFFAOYSA-N 467.641 5.089 30 20 JKED N#CC1(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)CCCCC1 22116149 OYTUKJWGHCYAQX-OBGWFSINSA-N 471.582 5.283 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 22731100 RHNZNFZEHOPZFC-UHFFFAOYSA-O 464.463 6.654 30 20 JKED C=CCn1c(Cc2csc(NC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)n2)n[nH]c1=S 23041860 ZSFHCKZXXNJRHW-AWEZNQCLSA-N 465.604 5.078 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23452489 ZHSORKDDHCFGRX-XMMPIXPASA-N 479.001 5.474 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1cccc(Cl)c1 26011886 QKMCFPSXCFZXQF-SFHVURJKSA-N 480.018 5.710 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 26634260 VQHIMAHOGOSAHU-LJQANCHMSA-N 475.570 5.109 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)cc1 26756706 VCLSNWBQROHYRG-KRWDZBQOSA-N 451.621 5.001 30 20 JKED C[C@@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 31755696 DHTUMGLVDRVILM-LLVKDONJSA-N 496.614 5.332 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 32785649 DSRRGSJSFGNIHG-LJQANCHMSA-N 490.629 5.606 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CC)CCC(F)(F)F)c1 68804128 ZZADVKPVAYCCLR-UHFFFAOYSA-N 474.932 5.136 30 20 JKED CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 71907200 AKVJCSJXZIUJBB-IBGZPJMESA-N 459.354 5.305 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1OC 195662517 DISWHAXTVTVINK-HNNXBMFYSA-N 472.364 5.255 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nnc1-c1ccccc1F 216612540 DPQZUDHMLXKOAM-UHFFFAOYSA-N 492.624 5.796 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 409554016 OZXUECZULXPELM-UHFFFAOYSA-N 476.390 5.471 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 478348361 WXJLNKCPWXVKRD-UHFFFAOYSA-N 453.523 5.278 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(Cl)cc1 481518544 NLWGPHWMXZWMPN-JOCHJYFZSA-N 465.912 5.136 30 20 JKED C=CCN(C(=O)C[C@H](c1ccccc1)C(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 482018655 WUXIIPKZICMADE-QFIPXVFZSA-N 468.644 5.563 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OC)c(C)c2)c1 485989148 JPUNLURHBHSBBV-UHFFFAOYSA-N 499.032 5.311 30 20 JKED N#CCCCOc1cccc(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)c1 488432199 DAOZHWOVWIDGRU-UHFFFAOYSA-N 482.631 5.220 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc2c3ccccc3n(CCC)c2n1 495476236 PODVRMKDUCIUDO-MRXNPFEDSA-N 451.621 5.146 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)s2)cc1 499314651 UONFCZRKLSCTJS-DLBZAZTESA-N 471.405 5.207 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nnc1-c1cccnc1 503673747 AJDOTLCYRVITGX-UHFFFAOYSA-N 476.631 5.522 30 20 JKED C[C@@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 506264949 TZQTULLZWSRUGX-LJQANCHMSA-N 481.512 5.655 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)nc(O)c2c1C 507933464 BTVDHOICZSGBIK-INIZCTEOSA-N 490.610 5.938 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2ccc(Br)cc2)cc1Cl 510046883 ZQJQLXCHBVLLHY-HXUWFJFHSA-N 497.780 5.518 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccccc2OCc2cccc(Br)c2)nc2ccccc21 513673197 YIUDGZWVRAPRQE-IBGZPJMESA-N 460.331 5.405 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)c2ncccc12 518113112 LTCBQSFNLUCFHA-UHFFFAOYSA-N 455.458 5.199 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1OC(F)F 518117541 RSDIRHXDENPKOC-UHFFFAOYSA-N 452.426 5.113 30 20 JKED C[C@H](NS(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1)c1ccccc1 518207443 KMOKUODBDOIOQL-BTYIYWSLSA-N 488.396 5.028 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2[N+](=O)[O-])n1 518643124 JKNPGBOLBINUFR-OAHLLOKOSA-N 479.568 5.520 30 20 JKED CCn1c(SCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)nnc1-c1ccc(Cl)cc1 518709295 RSCYQRCNDGMGKJ-HXUWFJFHSA-N 468.026 5.389 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1C 519351392 AXXOVMFZFHDKLL-IFMALSPDSA-N 463.379 5.129 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 519876543 RRYBVDZTGLLDMW-DEOSSOPVSA-N 477.948 5.324 30 20 JKED C=CCn1c(SCC(=O)NCc2cccc3cccnc23)nnc1-c1ccc(Cl)cc1Cl 520142056 DJDKBYFCGVOPAS-UHFFFAOYSA-N 484.412 5.395 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1C 520187566 SXHDPWQVCZBMST-IBGZPJMESA-N 479.627 5.751 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc(-c2c(F)cccc2F)cs1 520427316 CLNVFMUFGWTJMH-LBPRGKRZSA-N 463.490 6.448 30 20 JKED C=CCn1c(SCc2ccc(Br)s2)nnc1[C@@H]1COc2ccccc2O1 520689716 OTPAYOUZNIMLQF-HNNXBMFYSA-N 450.383 5.093 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 520940321 NJRIXEBROSYHRW-SFHVURJKSA-N 450.608 5.921 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 521735097 XSECNOBSYGAHEH-UHFFFAOYSA-N 456.873 5.778 30 20 JKED COc1cc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1OCC(F)(F)F 522202897 FAHJKRDINLPYPO-CYBMUJFWSA-N 452.498 5.266 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc(C3CC3)nc21 524388202 PHSHUTJCQLMNKI-UHFFFAOYSA-N 451.530 5.593 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3n[nH]c(-c4ccccc4)c3Br)cc2)c1 524411544 GTDOGSBKPFZQJY-UHFFFAOYSA-N 473.330 5.542 30 20 JKED CCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 524676488 XQGUAYAJCMXYPQ-UHFFFAOYSA-N 467.488 5.228 30 20 JKED O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F 590792161 KFSVGZMBACDEFJ-YUMQZZPRSA-N 461.321 5.032 30 20 JKED C=CCn1c(SCC(=O)N2CCCc3sccc3C2)nnc1-c1ccc(Cl)cc1Cl 593245212 BDTQVPMDCHHVGD-UHFFFAOYSA-N 479.458 5.567 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(OCc4ccccc4)cc3)s2)cc1 603449391 VYCBJJJVDIRICU-UHFFFAOYSA-N 458.568 5.533 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603622222 OPBDPZSDGUNNHN-UHFFFAOYSA-N 454.486 5.111 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 603717186 NRMXFBOFVJPPCM-HSZRJFAPSA-N 474.536 5.425 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)nc4)cc3)o2)c1 603763913 BTPDTRPCANFKSJ-UHFFFAOYSA-N 473.492 6.023 30 20 JKED CCCc1ccc([C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2cccs2)cc1 603795500 GZXKEGSWESUONV-QHCPKHFHSA-N 475.618 5.059 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003634 JOXJGFMGVWYXCW-UHFFFAOYSA-N 450.542 5.315 30 20 JKED COc1cc([C@@H](C)NC(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1OCc1ccccc1 604130162 SBQLOXNWAOEAGR-JOCHJYFZSA-N 484.600 5.129 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 604171053 WKMIYWXIJLPUJT-UHFFFAOYSA-N 462.347 5.755 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1CS(C)(=O)=O 608804198 SFKGONGJVVCMHC-UHFFFAOYSA-N 476.529 5.144 30 20 JKED Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C/c1cccc(OCCCC#N)c1 609052505 OKEWBJHZPIGRRH-PGMHBOJBSA-N 453.567 6.060 30 20 JKED COc1cc(CC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc(OC)c1OC 609151870 XGRSEERLLMOSCT-UHFFFAOYSA-N 450.922 5.013 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OCc1ccncc1 609434439 JYDOBSLBWUSFHZ-HXUWFJFHSA-N 494.551 6.216 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cn5ccccc5n4)c3)n2)cc1 613318012 FGQJBKPWGFOWKF-HSZRJFAPSA-N 464.550 5.835 30 20 JKED N#C[C@H](C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1nc(-c2c(F)cccc2F)cs1 620304337 ULHBTXLUHRFTRQ-MRXNPFEDSA-N 481.911 5.442 30 20 JKED CC(C)(CC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)C(F)(F)F 622517251 DTURIFMPQFAFOV-CYBMUJFWSA-N 451.329 5.603 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1OC 642281869 VIAVEOZHWIPQRK-KRWDZBQOSA-N 461.568 5.749 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2sccc2C)c1 726395147 BVMYDXAOXNCUIO-OAQYLSRUSA-N 495.626 5.234 30 20 JKED CC(C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C#N)c(Cl)c1 726407682 ABMHMOVSIFWQMI-FQEVSTJZSA-N 472.973 5.357 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2c(Cl)cccc2Cl)C1=O 726415935 PZUOPJOPJABPDI-IBGZPJMESA-N 480.417 5.048 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727232929 AQQVLOZREWDIOP-SJLPKXTDSA-N 468.431 5.613 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727294777 BFBHXWLQLBUWKK-UHFFFAOYSA-N 485.053 5.175 30 20 JKED CC(C)CC(=O)N[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 727632173 RXGSQTKBWDRYBW-ZHRRBRCNSA-N 453.514 5.168 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1ccc(-n2cncn2)cc1 727780401 NBGNTWIVVJLAJD-NYYWCZLTSA-N 451.349 5.358 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC(c3ccccc3)C2)C1=O 728420563 GFNQKRCJKSTDAP-KVWWFHCMSA-N 475.586 5.015 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2c(c1)CCC2 728424451 BJSRBNIWYHFAAX-AVRWGWEMSA-N 495.608 5.163 30 20 JKED CCN(C(C)=O)c1nc(/C=C2/CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cs1 728438602 IJVDXAICFTYYEM-UVTDQMKNSA-N 488.432 5.614 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)c1 728778016 NYSQYFLRZLCBBH-VWLOTQADSA-N 480.593 5.475 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2CCCCC#N)c1 728780042 MYPOHNXTLRRSHV-HSZRJFAPSA-N 462.619 5.142 30 20 JKED N#Cc1ccc(OC2CCN(Cn3nc(N4CCCC4)n(-c4ccccc4Cl)c3=S)CC2)cc1 728903798 ZIVLMSKXMSWRJL-UHFFFAOYSA-N 495.052 5.029 30 20 JKED COc1ccc(/C=C2/N=C(SCc3ccc(OCC#N)cc3)N(c3cc(C)cc(C)c3)C2=O)cc1 729241252 RYNZGWDZKUVRBZ-YZSQISJMSA-N 483.593 5.892 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)c(C)c1 729634951 XSNRGAWGECNETK-HSZRJFAPSA-N 476.577 5.306 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(NS(C)(=O)=O)c2)ccc1OCc1ccc(Cl)cc1 729820383 PMFOVVHXXJBQOI-WQLSENKSSA-N 471.962 5.195 30 20 JKED CCOC(=O)c1sc(NC(=O)c2sc3cc(Br)ccc3c2Cl)c(C#N)c1C 729824445 PMDFYRDLLVWXOJ-UHFFFAOYSA-N 483.796 5.988 30 20 JKED C[C@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)NC3CCN(CC#N)CC3)c2C1 730504775 YXMVQUIWFIOSFH-ZEZKVYLTSA-N 493.655 5.141 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2CCc3c(Cl)cccc32)cc1 730717135 FRLMWTBPXVMLII-SFTDATJTSA-N 492.004 5.086 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(Cc3cocn3)C2=O)c1 730729544 NAZANADBBAOYQL-HSZRJFAPSA-N 492.601 5.239 30 20 JKED COc1cc([C@H]2NC(=O)N(Cc3cccs3)C(c3ccc(C)cc3)=C2C(C)=O)cc(OC)c1OC 732047403 ZDVLTYRAERGEHU-XMMPIXPASA-N 492.597 5.349 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1CSc1cccs1 742979896 HJVSCIMZJNYDCF-NPMXOYFQSA-N 456.589 5.386 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 745991584 ZRMMEOODDOXHAI-FQEVSTJZSA-N 485.396 5.549 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 749534528 QQLSEPGSACMYFV-UHFFFAOYSA-N 464.525 5.025 30 20 JKED CCOc1cc(/C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1OC(F)F 750895402 GNSQRCZPGKQWNV-SREVYHEPSA-N 487.293 5.371 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccccc1-c1ccccc1 750909692 HKCBLPQDKPCWQF-XMMPIXPASA-N 489.597 5.351 30 20 JKED CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 779183637 FNDZZTZEWJAGQJ-SFHVURJKSA-N 458.539 5.237 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c[nH]nc1-c1ccc(F)cc1 812394734 XIFRDUZAHDUZJH-UHFFFAOYSA-N 463.925 5.498 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837347335 WRKSTPURFIFYBH-FDDCHVKYSA-N 474.586 5.120 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N([C@H](C)c3ccccn3)C2=O)cc1 837485290 MDVIJAAQLCTTRA-OPAMFIHVSA-N 496.995 5.904 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1ccc(Cl)c(Cl)c1 837530590 UECQJTLEEJCXBU-HNNXBMFYSA-N 476.307 5.516 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](C)c2cccnc2)C1=O 837783782 PRTPGGKIFSLIRO-OPAMFIHVSA-N 495.004 5.465 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1ccccn1 838514116 MAAGVRTWFANFGO-NRFANRHFSA-N 498.967 5.043 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccccc3)C2=O)cc1 838546376 ABINEFKGVUTAGE-QHCPKHFHSA-N 493.535 5.328 30 20 JKED C=CCn1c(SCC(=O)Oc2c(Cl)cc(C#N)cc2OCC)nnc1-c1ccc(Cl)cc1 914438918 CMJZFQVMVJKBHY-UHFFFAOYSA-N 489.384 5.406 30 20 JKED COc1ccc(Cc2nnc(S)n2N=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)cc1 914554955 CHIOEFDDDWZBCW-UHFFFAOYSA-N 466.998 5.011 30 20 JKED N#CC(CCOC(=O)[C@H](NC(=O)c1ccco1)c1ccccc1)(c1ccccc1)c1ccccc1 914890702 DIFTUUKTLMLPRT-AREMUKBSSA-N 464.521 5.194 30 20 JKED N#C[C@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103001 NIIGCQBUCYNIOP-NFRJURENSA-N 480.655 5.861 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 915111188 KIKRSNVALGMUTJ-LJQANCHMSA-N 490.944 5.148 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(C=NNc2cccc3ncccc23)cc1OC 915964892 TVKUAQSTTBULPK-UHFFFAOYSA-N 490.947 5.369 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CC2)C1=O)Nc1cccc(Cl)c1Cl 916205981 MXQKTGHIVARJDV-MRXNPFEDSA-N 452.338 5.255 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(OC(F)F)cc1 916208975 BOKOSWUBZXYBDI-SFHVURJKSA-N 483.487 5.183 30 20 JKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2cc3ccccc3nc2N2CCCCC2)cc1 916333563 ORRLUSLASIFGAP-UHFFFAOYSA-N 480.544 5.256 30 20 JKED N#C[C@H](C(=O)Cc1ccc(OC(F)F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997604 XKIYFROUZLKUDW-OAHLLOKOSA-N 453.297 6.137 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 917039862 GDRUUVOBSAMOAM-HNNXBMFYSA-N 452.530 6.266 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)cs1 917560690 VWXTVUYKJPBRGL-POHAHGRESA-N 451.935 5.262 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2c(C)cccc2C)n1 917658569 LTFMKTXNMCLYFS-QFIPXVFZSA-N 494.567 5.446 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)/C=C/c4ccccc4)cc3)cn2)cc1 918586785 IOELTCRPEXPRGG-WUKNDPDISA-N 496.548 5.410 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1c(C)noc1C 920355742 MEHQATNZZPGTFY-QHCPKHFHSA-N 476.602 5.323 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(C)C)ccc1Cl 920466691 MXRBXILLVQJSAX-HXUWFJFHSA-N 481.445 5.635 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 920870602 NOOHVFRNOPNMSU-VGSWGCGISA-N 471.598 5.192 30 20 JKED N#Cc1ccc(CN(CCc2ccc(OC(F)(F)F)cc2)c2ccc3nc(O)[nH]c3c2)cc1 1657632309 RWZAJJZJPCIVPZ-UHFFFAOYSA-N 452.436 5.288 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccco5)no4)CCC3)cc2)cc1 1785796943 ZUXRHZXWGFQJIT-UHFFFAOYSA-N 480.524 5.187 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5ncccc5c4)CCC3)cc2)cc1 1785881573 COICKIFCIJZYBB-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(OCC)c(Cl)c3)CCC2)cc1 1786374208 KOTRIRRVGHUMKH-INIZCTEOSA-N 474.960 5.217 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c(C5CC5)c4F)cc3)CCC2)c1Cl 1787167143 FYHYUMJCAZLQOJ-UHFFFAOYSA-N 477.927 5.013 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CCC2)cc1 1787647420 LBZTVTCFUPJBBZ-UHFFFAOYSA-N 453.823 5.159 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5cc(Cl)ccc5n4)cc3)CCC2)c1 1788938388 OFZCAKHFXMFARR-GOSISDBHSA-N 497.986 5.676 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5cc(Cl)ccc45)cc3)CCC2)cc1 1789350897 NIDWNTYRQNMIOQ-UHFFFAOYSA-N 483.959 5.344 30 20 JKED Cc1ccc2nc(C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)ccc2c1 1789577596 KZGHIDVJEKYHBX-STBIYBPSSA-N 466.541 5.003 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)F)no4)CCC3)cc2)c1Cl 1790081681 KOAHENNXYIAOJP-UHFFFAOYSA-N 470.863 5.199 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5occ(-c6cccnc6)c5[nH]4)CCC3)cc2)c1 1790147070 BTYGYSIWZSOURH-UHFFFAOYSA-N 490.523 5.084 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCC1)NC(=O)OC(C)(C)C 1790216535 JBXZYXAZIQLTIL-OAQYLSRUSA-N 495.595 5.433 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1790566831 CNQKAXHLTBBJED-FQEVSTJZSA-N 470.573 5.297 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OCC4CC4)c3)cc2)CCC1 1790740606 LCTQJGZSXAYXQK-UHFFFAOYSA-N 480.630 5.151 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)c(Cl)c1 1790767624 DBKSFGLADLOYGU-UHFFFAOYSA-N 494.942 5.021 30 20 JKED Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785339 HMYBGGXXRVHIQO-UHFFFAOYSA-N 478.474 5.342 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5ccoc5c4)cc3)CCC2)ccc1F 1790892268 ALEPUQVHFVUARP-UHFFFAOYSA-N 467.500 5.434 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)[nH]c2ccc(Br)cc12 1791008603 MNBZFZTWZZDXMY-CQSZACIVSA-N 486.435 5.305 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3n[nH]c4cc(Cl)ccc34)CCC2)cc1)C(F)(F)F 1791304843 MWVSIJFMLHBRIX-UHFFFAOYSA-N 476.886 5.011 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)cc2)CCC1 1791397633 NRNBYZPIQFENRG-BQEUZBSESA-N 493.648 5.336 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791585003 UFDVVFSLXMKECW-XZOQPEGZSA-N 481.637 5.008 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1)c1ccc(O)cc1 1791646366 QHIVICVYFCJKGW-OAQYLSRUSA-N 492.579 5.213 30 20 JKED Cc1cc(C)n(CCC(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)n1 1791782897 HBYZFXCLAZZKKA-UHFFFAOYSA-N 478.713 5.075 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CC3(F)F)cc2)CCC1 1792246912 KKXFEEBOVRYSSS-NTKDMRAZSA-N 491.579 5.025 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(OCc4nc(C(C)(C)C)cs4)c2)C3)C1 1792502989 AIFCLDFZIHFQTP-KOUNCHBCSA-N 493.673 5.238 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cc(F)ccc1Br 1793404812 LHIXSZHVAXNGRL-ACDBMABISA-N 479.434 5.151 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C(C)C)cc1C(F)(F)F 1797021452 GNFJJLFLISGTNY-FCGDIQPGSA-N 451.533 5.108 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Br)cc3s1)C2 1798334669 HGBWUEZNCXUUJQ-YRPNKDGESA-N 487.463 5.684 30 20 JKED Cc1ccc(S/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cc1 1798390482 ROPWKLWADYMEJP-HIHMHGIJSA-N 468.739 5.290 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccnc2-c2ccc4ccccc4c2)C3)cc1 1799665339 LESDOHPUONYYPK-LGKQTMLJSA-N 486.575 5.339 30 20 JKED O=C(CSc1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800503015 MFMTUMAHCWVPOJ-LGKQTMLJSA-N 480.633 5.131 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1 1800665456 ZJGBEGSZJSVUJR-BKFWDETESA-N 460.643 5.424 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)C4(c5ccc(Cl)cc5)CC4)CC3)C2)cc1 1804762171 FQJFRJRFHSOASF-UHFFFAOYSA-N 490.047 5.107 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@@H]4CCCc5c4[nH]c4ccc(Cl)cc54)CC3)C2)C1 1804787094 HQOBJKKZJLOJSC-JOCHJYFZSA-N 480.052 5.439 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)C4(c5ccc(Cl)cc5)CC4)CC3)C2)c1 1805331603 QDDAHWRVJCXMMV-UHFFFAOYSA-N 490.047 5.107 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)CC1 1805610680 PEDGDBBQTJQZBT-NHCUHLMSSA-N 458.593 5.292 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 1806019549 MYRCQNSOEGAXFN-UHFFFAOYSA-N 487.855 5.474 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)ncc3Cl)C2)CC1 1807292141 GNVHNVNALHPQLE-QGZVFWFLSA-N 494.861 5.111 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC4(CCN(C(=O)c5cccc(C#N)c5)CC4)C3)c[nH]2)cc1 1807424524 JGMDZZZUXJPOQP-UHFFFAOYSA-N 466.585 5.020 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(C)ccc2F)[C@@H]1c1cccnc1)c1ccccc1 1810444720 TYYHIGJAWCWSIH-CERRFVOPSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1810494050 CKHRUDSGIAFVTJ-LBNVMWSVSA-N 496.655 5.764 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c1Cl 1811418507 XTLIXYBBENAJLT-UZUQRXQVSA-N 497.357 5.033 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)c3c(Cl)cccc3Cl)[C@H]2c2cccnc2)c1 1811715952 MZDLFCSUCCOFSD-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c(C)cc2OC)[C@H]1c1cccnc1 1812015829 MSMQRPKTVUYHFC-RCZVLFRGSA-N 463.622 5.019 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302148 PSAYUZASSXVSAY-DFHRPNOPSA-N 497.595 5.283 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2ccc(OC)cc2)[C@@H]1c1cccnc1 1812421988 KBBICEQWTCCWGN-XGMBZNLNSA-N 475.633 5.192 30 20 JKED CC(C)Oc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C3(C)CCCCC3)[C@@H]2c2cccnc2)cc1C#N 1813960264 HMAOYKXKELZANV-JYFHCDHNSA-N 488.632 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1813966516 BHWCJUPPCLTEOZ-XMSQKQJNSA-N 491.529 5.552 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c1 1814618880 HSDCZYWUXQCZCW-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)[nH]n1 1814829440 QWUSOUSAKWVFSN-UQAQOTMJSA-N 462.619 5.058 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)[nH]n1 1814829887 YLSODGIVIVEAND-XMMPIXPASA-N 469.589 5.546 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)n[nH]2)C1 1817678090 YFMKEGFMQYRXKZ-QFIPXVFZSA-N 478.984 5.034 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114186 MJSNROYUDYZDIU-VSADUAAZSA-N 494.642 5.083 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cc[nH]c34)n[nH]2)c(Cl)c1 1818772383 ZHUUCARUMNDZLY-OAQYLSRUSA-N 472.936 5.036 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]2)cc1 1818867930 LERDZQWQAKBCCF-QNWVGRARSA-N 473.964 5.044 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)n[nH]1 1818869030 PZUMCVJLHAUGRF-KCZVDYSFSA-N 452.986 5.053 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)[nH]n1 1819310150 SLBPZDOUNWPZSM-NOGZMFEUSA-N 489.664 5.300 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)Oc1ccccc1 1821280598 VXVDKOLESXVRTQ-UZUQRXQVSA-N 491.979 5.098 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C)cc(C#N)c3)n[nH]2)cc1 1821325530 IRDJQBQHMFKSCK-KOFSXRQESA-N 483.572 5.008 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2C)n[nH]1 1821338064 GITAHTKKNCYAHQ-KUHUBIRLSA-N 480.396 5.132 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823218548 STQQLUUHTIUQOD-UUOWRZLLSA-N 471.561 5.055 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1823256742 NHFFTUDIVACILL-LJQANCHMSA-N 498.370 5.216 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)c1 1823278033 BCHQHJZNEMUBDM-SZNDQCEHSA-N 497.933 5.588 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4ccc(Br)cc34)CC2)C1 1823700576 RNCWLHRRYUUBGP-QHCPKHFHSA-N 484.438 5.130 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1823811261 BXSBMWFKZRDPFO-RUZDIDTESA-N 489.019 5.169 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(Br)cc2C)CC1 1824140868 OHHYBFYEZDASHP-JOCHJYFZSA-N 488.470 5.154 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824247539 CPAJVISTIHQKHM-RSXGOPAZSA-N 457.058 5.503 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1824535574 OTWWDWCQYCRCGO-UPVQGACJSA-N 481.102 5.073 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC(F)(F)F)CC2)c1 1824875032 LKNWGFXJPOHGJD-GCJKJVERSA-N 463.544 5.280 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1826324288 RWEPMNWEADKRTO-DEOSSOPVSA-N 499.533 5.645 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc3c2CCCO3)CC1 1827384752 NGPNQLPFMNFVLI-JOCHJYFZSA-N 458.668 5.299 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828357607 LWFPXPRSYPMRIH-RLGOFNAISA-N 495.623 6.007 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)Sc3cccs3)CC2)c1 1828777485 HYCZNYVWHGGECH-WZONZLPQSA-N 497.686 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828828673 PFWNFVURHGTLSE-REWPJTCUSA-N 469.029 5.218 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC#N)CC1)c1cccc(NC(=O)OC(C)(C)C)c1 1828889832 DREFIYDJXSAFAW-HYBUGGRVSA-N 496.652 5.061 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)n3)CC2)c1 1829242527 FWFDWODBWGKVFP-WZONZLPQSA-N 498.549 5.275 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)CC1 1829688161 SJDVARGASAGBMC-BDYUSTAISA-N 472.633 5.145 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CC1 1829705717 QFZBWCUARXDOIV-RUZDIDTESA-N 459.565 5.030 30 20 JKED COc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)cc2ccccc2c1Cl 1829708937 ZSXKLUAYIOHMPQ-JOCHJYFZSA-N 482.024 5.285 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)c1 1829781353 MPHQJEYWHFCXBR-FQEVSTJZSA-N 493.822 5.394 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1 1830359459 XEWABEFIIGXPQG-JWQCQUIFSA-N 497.680 5.088 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)CC1)c1cccs1 1830485767 TZAMYWWFOBUHNA-MHNQQFQPSA-N 489.012 5.213 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1830716823 CYUQOVVYFZNINV-QHCPKHFHSA-N 471.935 5.037 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)cc1 1830745872 SCFDDYZCJQTARH-NDEPHWFRSA-N 469.629 5.302 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 1831367266 GOIGBPMIGRWPEE-IIBYNOLFSA-N 465.407 5.034 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1)C(F)(F)F 1831453981 QSQOTPBCTYKMRR-JOCHJYFZSA-N 499.533 5.780 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc(F)c3F)CC2)c1 1831574124 HVVVNERPIGEFNX-KBMIEXCESA-N 479.571 5.068 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCCC(=O)OCc2ccccc2)CC1 1831861258 NOUCCIZROGDFFK-MHZLTWQESA-N 496.692 5.656 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)c1 1841569058 CNVZGBAAJDHVCS-IBGZPJMESA-N 483.534 5.172 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)CCc1ccc(Cl)cc1Cl)C2 1844253679 ITRVTXHVJYCYIK-UHFFFAOYSA-N 479.524 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Br)c(OC)cc3o1)C2 1844357171 JAXJAGHTBKVWBJ-UHFFFAOYSA-N 489.410 5.013 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(OCC(F)(F)F)cc2Cl)C1 1844708518 MLWJEGWOUJHCGG-UHFFFAOYSA-N 472.935 5.091 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1c(Br)cccc1-c1ccccc1)C2 1845980496 PUZAOLGJKJEYSV-GOSISDBHSA-N 467.407 5.145 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4c(ccc5ncccc54)s2)C3)c1 1846828693 NQCIGTTUJWPTSY-GOSISDBHSA-N 480.593 5.207 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)c1C 10167724 JIBJYUAUIVKCHZ-UHFFFAOYSA-O 496.612 6.141 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)n(C2CCCC2)c1C 10285550 MAEGBAJIFRHAAT-UHFFFAOYSA-N 463.607 5.113 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cccc3ccccc23)cc1 11125858 YGRHEHWKLLYDAH-UHFFFAOYSA-O 480.440 7.047 30 20 JKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(F)c1 11559631 GVQDXZPAZVKTBC-DEOSSOPVSA-N 456.546 5.354 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c1 15227415 LFNSISQBAIPGCR-UHFFFAOYSA-N 482.613 5.294 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccccc1OC 16814699 LCOBDDBOSBIASQ-XMMPIXPASA-N 486.597 5.620 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(Br)cc1 21134518 GTUOOBKZGCASNC-OAHLLOKOSA-N 485.407 5.216 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2cccc(O)c2)c(Cl)c1 22732699 DEXDFIQKZIEYRR-UHFFFAOYSA-O 490.830 5.763 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)n1 24284591 SHUSJCVFEAKEHF-MWLCHTKSSA-N 464.538 5.557 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SC[C@H](O)Cn1c2ccccc2c2ccccc21 25767144 DMTFNZYWLGROPT-LJQANCHMSA-N 488.588 5.443 30 20 JKED Cc1ccc(-n2ncc(/C(O)=N/c3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)c2C(C)C)cc1 28934270 DAUUKQUNZNYWFA-ROUUACIJSA-N 453.612 5.006 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nc2sccc2c1=O 36801343 RWITYXSHZNPIPR-LJQANCHMSA-N 475.639 5.354 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nc2sccc2c1=O 36855157 RFSLTLOLOTXWQH-UHFFFAOYSA-N 482.656 5.694 30 20 JKED C=CCN(C(=O)c1cccnc1OCCOC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 59983851 DWWQSFJFDOWOMA-UHFFFAOYSA-N 464.374 5.370 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccnc3Oc3cccc(F)c3)c2)cc1 71930577 NDBUOMVFTPHOOV-UHFFFAOYSA-N 482.515 5.980 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 108734465 JEGFGLFZGJTBAG-UHFFFAOYSA-N 499.567 5.341 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4S[C@H](C)CC#N)cc3)o2)c1 303351448 NSZSXZLZNGGGGT-GOSISDBHSA-N 454.555 6.359 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)c2)c1 498570984 QWQPUTLUXNJAHK-UHFFFAOYSA-N 487.519 5.518 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1C 499951402 DLODVIXEIWFCBB-HSZRJFAPSA-N 464.516 5.489 30 20 JKED CCOc1cc(F)ccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 502068402 ZQRTXJDTQWVCCA-UHFFFAOYSA-N 461.337 5.700 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 504695466 PBRXUWXCOYJWDF-UHFFFAOYSA-N 461.465 5.214 30 20 JKED CC(C)Cn1c(SCC(=O)N(CCC#N)CC2CC2)nnc1-c1ccc(Cl)cc1Cl 505192556 AADVXZXNIOQXQH-UHFFFAOYSA-N 466.438 5.152 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 505645697 OPGXEBJZESGOLG-CQSZACIVSA-N 467.865 5.327 30 20 JKED C=CCn1c(C)nnc1SCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 505886411 DXVHBKDIUBXEFS-UHFFFAOYSA-N 453.515 5.225 30 20 JKED CN(C)[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1Cl 509912652 PBLYWEMXPZTJHO-VWLOTQADSA-N 462.981 5.409 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 510509328 VKQMWGIRSQIUQW-XMMPIXPASA-N 471.948 5.957 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510670791 YAYSRCYLGLBPKS-UHFFFAOYSA-N 487.947 6.097 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 510857849 RVSJTHJYEQBATH-UHFFFAOYSA-N 498.539 5.270 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1nc2ccccc2[nH]1 511344338 MFWICHZDXZKMOZ-SFHVURJKSA-N 459.303 5.068 30 20 JKED COc1ccc(F)cc1-c1csc(NC(=O)c2ccccc2Sc2ccccc2C#N)n1 514575122 JTZDJBSEQNDWEK-UHFFFAOYSA-N 461.543 6.233 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(Br)cc4)c3)n2)cc1 516713623 CTKNPPNUUGDGAN-IBGZPJMESA-N 479.359 5.257 30 20 JKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(OCC(F)(F)F)cc1 517868807 KVHYHWMJNKOCDC-AWEZNQCLSA-N 460.481 5.429 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1cc(Cl)ccc1Cl 518148228 OTUJXVUTDKSYFH-CQSZACIVSA-N 455.432 5.996 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 518256216 QIESEIFSDPYSJT-HNNXBMFYSA-N 479.469 5.255 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(-c4nc5ccccc5s4)o3)cc2)cc1 519091254 RRKKXHMNXZTKPC-UHFFFAOYSA-N 494.532 5.475 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(OCc2ccccn2)c1 519988950 USXJTQYXEQVMMX-FQEVSTJZSA-N 464.525 6.207 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1 520537832 MYWDXRKWDNLKHE-UHFFFAOYSA-N 488.547 5.572 30 20 JKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521739567 HMDIBJBDLBLDHM-UHFFFAOYSA-N 471.504 5.461 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4ccccc4c3CSc3ncccn3)n2)cc1 522489186 MOVMCVFPJPMQRQ-LJQANCHMSA-N 493.573 6.000 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 524105396 AWJVCIPHGFEZAC-UHFFFAOYSA-N 469.560 5.659 30 20 JKED CCc1c(C)sc(NC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)c1C#N 524329876 GVNRUPZAEHOSKX-UHFFFAOYSA-N 482.403 6.066 30 20 JKED Cc1nc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)sc1SCC#N 549963656 HDDXZMFRQJYQAL-UHFFFAOYSA-N 480.640 5.001 30 20 JKED Cc1nc(O)cc(-c2ccc(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2)n1 551705025 KQVYDIPZJXQWGP-UHFFFAOYSA-N 451.486 5.252 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1-c1ccc(C(F)(F)F)cn1 603623232 OLLHBKMQLMQKIG-UHFFFAOYSA-N 492.461 5.721 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603626921 KEUGSMLWJASTMZ-UHFFFAOYSA-N 470.558 5.180 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 603739065 OKAKDYTYKFGDDY-UHFFFAOYSA-N 495.379 6.109 30 20 JKED Cc1c(C(=O)Nc2ccc(CC#N)cc2)sc2ncc(C(=O)Nc3ccc(CC#N)cc3)cc12 603788461 YUGCCKAMFWGEIA-UHFFFAOYSA-N 465.538 5.241 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 604448076 JDVSQXHUDYVNLP-CQSZACIVSA-N 452.854 5.022 30 20 JKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604522861 KQTTWHKDBCTLEI-SFTDATJTSA-N 479.631 5.334 30 20 JKED Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)sc1-c1cccc(Cl)c1 608811711 OTOALUNWDNZQSQ-UHFFFAOYSA-N 452.967 5.076 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 608916495 IHLRHJKBMQHJEI-UHFFFAOYSA-N 463.559 5.197 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 608995341 KTFHZCGLMYJUEJ-RUZDIDTESA-N 479.939 5.730 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@]12CCC(=O)N1c1ccccc1S2 609061679 UGVQYBTWLJWPCF-AREMUKBSSA-N 455.539 5.013 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)nn(Cc2ccccc2)c1C 609072553 QQGVJPHMWRWZQN-UHFFFAOYSA-N 450.542 5.560 30 20 JKED COc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609087187 XTQOXOXWIMDGJY-XMMPIXPASA-N 489.959 5.101 30 20 JKED CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1SCCC#N 609375993 SFEIIZYARMYWPX-UHFFFAOYSA-N 485.565 5.140 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCN(C(=O)c4cccc5ccccc45)C3)c2C#N)C1 609563041 IKVXRHJKFFDGAY-HKUYNNGSSA-N 457.599 5.389 30 20 JKED O=C(Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)c1ccc(C#Cc2ccccc2)cc1 611968872 WNRIOZZOWGSHHG-UHFFFAOYSA-N 465.940 5.317 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1 726300860 UHHPDIZTUJYLHV-HHHXNRCGSA-N 461.521 5.389 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726321410 JMEBBBNGINAOOP-ZDUSSCGKSA-N 467.831 5.583 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(C#N)c(Cl)c1 726406055 HSVWDACCBPUQEE-QFIPXVFZSA-N 474.973 5.511 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)cs1 727267961 XKGBPQVERCSSPX-FMIVXFBMSA-N 481.549 6.434 30 20 JKED C=CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1Cl 727350689 CRUNFEYRNINYPC-LJQANCHMSA-N 481.927 5.355 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc2cc(Cl)ccc2s1 727629107 RIZWIBVHRFLPKQ-HNNXBMFYSA-N 452.992 5.652 30 20 JKED COC(=O)c1occc1CN(C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)[C@H](C)c1ccccn1 728275095 YLJCPOCZNQLPHK-HXUWFJFHSA-N 482.540 5.144 30 20 JKED C[C@@H](CC#N)N(C)Cn1nc(CSc2nc3ccccc3s2)n(Cc2ccccc2)c1=S 728902159 JBWJQKXGKHIODI-KRWDZBQOSA-N 480.688 5.556 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1scnc1C 729146550 SOSZQPQQHZEHBP-OAQYLSRUSA-N 489.626 5.046 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730460921 IRFISNCDPLKLTJ-HXUWFJFHSA-N 475.536 5.781 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3cocn3)C2=O)cc1 730729611 NYYMOGPPTNDCQO-GHZZFFRASA-N 498.630 5.115 30 20 JKED O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 730790338 HNPDGYOVXWJMSL-UHFFFAOYSA-N 458.280 5.269 30 20 JKED C#CCOc1ccc(NC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 730980855 VGAOJZDXLLCEMK-MRXNPFEDSA-N 475.595 5.336 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 731081043 UJDCJGQQFJZQGY-OAHLLOKOSA-N 464.509 5.417 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1 731192723 LBIQEXLRHIFUCO-LVZFUZTISA-N 475.570 5.058 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c1 731306050 JUKGEVBESTZIDJ-WZONZLPQSA-N 477.586 5.194 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(CCc2cccs2)C1=O)Nc1cccc(O)c1 731307464 SNCTYWLZYPCQOZ-FQEVSTJZSA-N 486.018 5.310 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1OC 744935936 JZKQCEIWAWJHAV-ZDUSSCGKSA-N 476.341 5.095 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2OC)n(-c2ccc(C)cc2)c1=S 746050639 VMGJFWQHHXLOAO-UHFFFAOYSA-N 499.640 5.365 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCOC(C)(C)C)cc1 746698228 XMDBZXWSMXTNHX-FQEVSTJZSA-N 475.561 5.049 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC(c3cccc4ccccc34)CC2)cc1 746764393 ULJUPUDRLDYNNA-WCTVFOPTSA-N 490.629 5.064 30 20 JKED C=C(C)COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)ccc1OC 747138413 DFYOFQHLUCCYBG-NRFANRHFSA-N 491.535 5.100 30 20 JKED COc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCCCC#N 747357027 HIOKRWAAUYXXIK-UHFFFAOYSA-N 458.543 5.007 30 20 JKED N#CCOc1ccccc1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 747387244 SMWVQNKTDCPYRS-UHFFFAOYSA-N 467.400 5.168 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1cc(Cl)cc(Cl)c1 747598320 ATEDMLPGNGVIIF-SFHVURJKSA-N 491.425 5.610 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@](C)(C#N)CC)c1 749613839 ZCPOWUHUUFUGIH-NRFANRHFSA-N 499.942 5.162 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccc(F)c(Cl)c2)C1=O 750915835 ILAOIRAQKDYMRS-INIZCTEOSA-N 474.772 5.054 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 799212369 HNDXWGMORFQDFW-SFHVURJKSA-N 464.374 5.176 30 20 JKED Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 824076454 RXCRPFZUZYQCMI-ROUUACIJSA-N 472.570 5.027 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@H](C)c2ccccn2)c1 837385561 YZYKIJGEVWFVRO-JPYJTQIMSA-N 493.032 6.073 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 837520555 MYPKHLNNIVOUQL-IIBYNOLFSA-N 464.978 5.457 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccc2)C1=O 838531824 CBLRYGRXXCAMHE-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1nc(C)c2c(C)c(C=Nn3c(S)nnc3COc3ccc(C(C)C)cc3)sc2n1 874098445 SOTKGAXLWIBWQM-UHFFFAOYSA-N 452.609 5.081 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cc1 914694829 WGFXMDBGXSKFDI-YCRPNKLZSA-N 471.648 5.125 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCc1ccccc1 915354015 SUUFDPLMNLTHQN-MUUNZHRXSA-N 491.591 6.594 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cnc(N2CCCC2)nc1)C(=O)c1ccccc1 915987581 HGDSQKOYOIOJOW-ULJHMMPZSA-N 454.574 5.107 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916205474 OPARIRLWAAJIRY-QGZVFWFLSA-N 485.890 5.621 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O)Nc1ccccc1F 916212389 MJSMPADNLPOAIG-IBGZPJMESA-N 457.914 5.233 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1sc(Nc2ccccc2Cl)nc1Cl)CCCC3 916287775 OLBPAJUUOJFLON-UHFFFAOYSA-N 476.414 5.726 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916881054 KTHLWGWNECTFOD-OAHLLOKOSA-N 458.326 5.268 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916898757 DWVFAGZTYGJSBB-VWLOTQADSA-N 466.537 6.098 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1NC(=O)c1ccco1 916906449 TYTISOCMIHYHRI-NRFANRHFSA-N 479.492 5.594 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Br)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916927945 QIEGLRJRZNQSKU-NSHDSACASA-N 476.541 5.136 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)cc1 916973033 SCEKUXMTHAHHRO-BJKOFHAPSA-N 465.578 5.336 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)N2CCCC2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996542 KMAQBQRAIYAHOG-QGZVFWFLSA-N 477.417 5.221 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917046656 MBDPHOQWKXMHJF-MRXNPFEDSA-N 454.964 5.113 30 20 JKED CCCCCCn1nc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc2c1=O 917047251 UYWBHUUTJNMFTH-GOSISDBHSA-N 464.978 5.730 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC[S@](=O)c1cc(Cl)ccc1Cl 917227673 CBLPTUXBFNINEM-NDEPHWFRSA-N 452.432 5.262 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)S1 917623488 QXKAWKGGZLSARC-RCCKNPSSSA-N 470.664 6.057 30 20 JKED C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1=O 918710839 GKQPBJOTPHYFSZ-QFIPXVFZSA-N 472.492 5.106 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918731743 CBSICWIYZNXUKL-HZPDHXFCSA-N 464.479 5.211 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)n(C2CCCCC2)c1C 919202813 RACIOXUKWCCDLS-UHFFFAOYSA-N 493.530 5.248 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 919652651 CHZIIVSWTRXWHA-AAVRWANBSA-N 471.417 5.034 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 919766686 KQJXFVUJGXIZCO-UHFFFAOYSA-N 455.583 5.297 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 920110739 UZEKEFRYFZCUNX-CYBMUJFWSA-N 462.185 5.881 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCc2ccc(C(F)(F)F)cc2)cs1 920374450 FDXDLUWPBNOQCT-UHFFFAOYSA-N 486.441 5.989 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccncc2)ccc1Cl 920454394 LVXQGDUTUCJMKS-QGZVFWFLSA-N 487.984 5.089 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)cn4ccccc34)CCC2)cc1 1786360443 FRJCJKWUBQKDLR-JOCHJYFZSA-N 491.591 5.392 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4csc5c4CCCO5)cc3)CCC2)c1 1788396690 LWLXNLYNFIRPJX-UHFFFAOYSA-N 475.545 5.145 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nc[nH]c45)cc3)CCC2)c(Cl)c1 1788432105 CJJCGCVVCTUUDS-UHFFFAOYSA-N 469.932 5.149 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)c1 1788725101 OEWZGVCTHGTGBA-UHFFFAOYSA-N 483.446 5.240 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788800496 GRSZWZLGTACQDK-HXUWFJFHSA-N 455.558 5.087 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5c(Cl)cccc5n4)cc3)CCC2)c1 1788940366 QUIOOAHUACQODH-SFHVURJKSA-N 497.986 5.676 30 20 JKED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cccc4s3)cc2)CCC1 1789092476 DKGGBEJZGUCVRG-QXMHVHEDSA-N 494.016 5.161 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)cc2)CCC1 1789221316 WSDBMMIAPVWQRN-UHFFFAOYSA-N 492.019 5.927 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1)c1ccc(O)cc1 1789681771 UAWQDTLEYCAMRG-HXUWFJFHSA-N 487.987 5.386 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)cc3)cc2)CCC1 1790151728 YGDRWWHQQYNKGK-LJQANCHMSA-N 473.548 5.227 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CCC1 1790226804 NEMJFUVNSMXPIF-UHFFFAOYSA-N 473.404 5.023 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)C3(c4cccc(Cl)c4)CC3)CCC2)cc1 1790511658 WESBNOBPPUKOKK-UHFFFAOYSA-N 480.992 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@](C)(NC(C)=O)c3ccccc3F)cc2)CCC1 1790572687 WXPMPYDPOPFBMT-NEKDWFFYSA-N 491.607 5.080 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5nc4O)cc3)CCC2)c1 1790868098 WTMQENAWTAYUSE-GOSISDBHSA-N 491.551 5.024 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)nc2ccc(Cl)cn12 1790976593 RJVMSDQGEMMLAU-UHFFFAOYSA-N 497.986 5.424 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(NC(C)=O)ccc3Cl)CCC2)cc1 1791252141 ITEIQYNUGYJPGW-INIZCTEOSA-N 453.970 5.258 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3c(C)oc4cc(O)ccc34)CCC2)cc1 1791298622 JZQNNGMCFAUIJZ-UHFFFAOYSA-N 454.473 5.406 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc4cccnc4cc3F)CCC2)cc1 1791730466 KEZRTFKGGHCPKC-UHFFFAOYSA-N 457.549 5.244 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)ccc1F 1792102842 QGYNCLNXQBEJRR-VAWYXSNFSA-N 478.545 5.083 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(C#N)cc1 1792482814 KYPGJZFBRQNNSR-ACDBMABISA-N 470.400 5.058 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccccc4)n4ccccc24)C3)c1 1800765477 XZBCFZJQEBWQCA-OOSCYNTBSA-N 488.591 5.352 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2)c1ccc(F)cc1 1802148413 BMTMUBQNUWIIQP-QIEDNPPQSA-N 461.581 5.144 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1803084505 QTYZVFNLLLZIKO-RPLLCQBOSA-N 453.586 5.323 30 20 JKED Cc1ccc(NCCC(=O)N2CCC3(CCCN(C(=O)C#Cc4ccc(Cl)cc4)C3)CC2)c(C)c1 1805335025 MXRUDJCLPSTWAM-UHFFFAOYSA-N 492.063 5.042 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)CC1 1805610682 PEDGDBBQTJQZBT-RTWAWAEBSA-N 458.593 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1 1807572757 UOVLXDSOMXOKCN-WNCULLNHSA-N 472.633 5.194 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1809277125 XTOFODNRHQWPTG-BKMJKUGQSA-N 470.617 5.250 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4cccnc4-c4ccccc4C)C3)CC2)c1 1810351905 MFXUYALCYDIXDQ-UHFFFAOYSA-N 492.623 5.396 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1810495292 LYWWIFXIOCHKEY-ATIYNZHBSA-N 488.607 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1810500305 OCRKUZVDCHLZGC-ILBGXUMGSA-N 489.660 5.497 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1811219604 AIFOELUPSTVFLB-BKMJKUGQSA-N 496.127 5.414 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)[C@H]2c2cccnc2)c1 1811943806 GZJHLJJTSCMYMA-LADVCJOISA-N 472.633 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1812951543 FTJRCEAQTCSEDD-IXCJQBJRSA-N 491.701 5.488 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Br)c(Cl)cc3C)[nH]n2)C1 1814396684 GQAGEOBCMOXBLH-LJQANCHMSA-N 491.817 5.406 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)[nH]n1)c1ccccc1 1814930776 BVCWNMSXHSRUEV-SHQCIBLASA-N 487.579 5.095 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1)c1ccccc1 1815568696 CXYAOVHZYSXMLV-PZJWPPBQSA-N 474.527 5.332 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ncccc3-c3ccccc3)n[nH]2)cc1 1818311319 YBPJLYGSQUHWOI-RUZDIDTESA-N 490.567 5.157 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4cc5ccccc5o4)sc3C2)c1 1818638847 NZNMBGGAXIKIMI-LVVONUJMSA-N 496.592 5.456 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1)c1ccc(O)cc1 1818708213 VGOZEDNZDDQLIR-NLFFAJNJSA-N 496.567 5.365 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCOc2ccc(C)cc2)[nH]n1 1819552490 NSWJCLLFPCDRBZ-JOCHJYFZSA-N 452.599 5.172 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1819555092 ZAQGDEUJRXTEDE-IBGZPJMESA-N 451.596 5.318 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1 1820906129 ZWWZWMLLNITXME-SCTAXSCYSA-N 499.656 5.008 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1)c1ccc(O)cc1 1822021183 LJOFSRMEQXAXHR-PHDUCBFRSA-N 488.632 5.131 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)[nH]n2)c1 1823210528 GZLMXEMNJLLWBS-BSIFCXSSSA-N 469.536 5.168 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)[nH]n2)c1 1823216131 OZKACQIBAQIWOA-SIBVEZHUSA-N 481.600 5.148 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)c3ccccc3)[nH]n2)cc1C#N 1823294040 INJFPEGPMBFFKY-CYFREDJKSA-N 485.588 5.178 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CC2)C1 1823701286 FWCRMCGKNWNQHB-MHZLTWQESA-N 483.656 6.014 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1823718806 RDMTZMUOFHATNC-LEMPSFLLSA-N 461.631 5.151 30 20 JKED O=C(c1cc2oc(-c3ccccc3)cc2[nH]1)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824413477 DBAPCPNIHNAPQI-RUZDIDTESA-N 469.585 5.075 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c1 1825032248 PHESIKRIEZJUBD-HSZRJFAPSA-N 484.065 5.068 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1825598284 DBGJFPNEIWGRIO-AREMUKBSSA-N 496.602 5.357 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)CC2)C1 1827266236 MVZGYGKLWWSEKO-VWLOTQADSA-N 481.040 5.238 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccoc3c2)CC1)c1ccccc1 1827499169 MGSRQLDQAAVNKQ-AHKZPQOWSA-N 483.612 5.258 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1828778868 JITJXJUVJTYABS-MZLICYQSSA-N 495.714 5.789 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 1828824671 NYOOCXDRDMGTIY-XNMGPUDCSA-N 461.650 5.109 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1829648117 YLLGSJQTAPVILM-QHCPKHFHSA-N 489.607 5.178 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)cc1 1830013140 SRHZAKYJMWBHPB-AMEOFWRWSA-N 496.655 5.170 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C)CC1 1830359680 ZFWRWVQYPCHKQC-DQEYMECFSA-N 497.680 5.088 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1830420404 ARMICRKITMZNGX-QDPGVEIFSA-N 491.676 5.501 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)ccn1 1830602347 XDRMAZLVKVDQDH-PMERELPUSA-N 491.635 5.337 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(Cl)cc1 1830627675 HZDCEQTZZYSHSW-RXFWQSSRSA-N 478.036 5.443 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSc3ccccc3)CC2)c(Cl)c1 1830721401 JHJRRBTXYZVLQO-DEOSSOPVSA-N 482.049 5.237 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)c(Cl)c1 1830723165 GBACEIJHEHQRNM-ZEQKJWHPSA-N 476.020 5.175 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1O 1830756777 VYQZWCDIYSOFQX-QHCPKHFHSA-N 499.533 5.138 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832682943 KPEYWACYYXKULW-HHHXNRCGSA-N 489.591 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 1845569548 ILTKTDKDIQZULG-JOCHJYFZSA-N 450.529 5.217 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(OC(F)F)cc1 10172759 RSRYBOGCZXNBFC-UHFFFAOYSA-O 467.970 5.904 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1C#N 10711481 WXKPNUWVTOYUQF-QFIPXVFZSA-N 461.518 5.228 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)cc2)cc1 10828956 QDGXIZMOHRJDMR-UHFFFAOYSA-O 457.541 6.346 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 15248135 LANLYQKSWJSTET-UHFFFAOYSA-O 473.540 6.221 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 18155129 OWFHPWHQCOTRJD-SFHVURJKSA-N 450.560 5.023 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 21174380 UPSTYXYYMCMJCE-UHFFFAOYSA-N 462.371 5.135 30 20 JKED C=CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 21838326 SLPSAMUQWUGTEF-UHFFFAOYSA-N 488.634 5.642 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 22613693 FTCHNTBDZPMFKB-UHFFFAOYSA-N 462.527 5.147 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccnc3SCc3cc(C)on3)c2)c1 30990359 NYCWCZLMYZITBI-UHFFFAOYSA-N 483.549 5.109 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 32503691 XQHIHLCPQOZNIR-UHFFFAOYSA-N 470.978 5.256 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccco1 45643325 YQGDQJVBNGQFDN-CHWSQXEVSA-N 451.379 5.389 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1nc(-c2ccccc2)cs1 46582226 KBHSLTWJTIZBFJ-GOSISDBHSA-N 475.574 5.511 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3SC(F)(F)F)s2)cc1 105969941 RWPXLAPPDYFJFB-UHFFFAOYSA-N 452.508 5.566 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 303178027 XTNGHGTYLSDORT-UHFFFAOYSA-N 487.644 5.916 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 303336912 UUMPCXYZBVCLHO-AWEZNQCLSA-N 486.391 5.099 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 303344766 ZHUABFMESBHXIC-CQSZACIVSA-N 454.646 5.695 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)cc2)c1 303347682 MWBSVHFDHBTMDQ-UHFFFAOYSA-N 455.301 5.418 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cnn1-c1ccc(C(F)(F)F)cn1 481804277 DCMXEBLOTKTKNF-UHFFFAOYSA-N 497.399 5.475 30 20 JKED Cc1nnc(SCc2c(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)oc3ccccc23)s1 499393319 HCRLCTWREUBZHG-UHFFFAOYSA-N 476.627 6.055 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)CSCc2ccc(C#N)cc2)cc1 500788399 RQYYHKDCAXPYAM-UHFFFAOYSA-N 457.599 5.980 30 20 JKED CN(Cc1ccc(F)cc1F)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503084874 FZYWFOMZSBCIIE-UHFFFAOYSA-N 498.761 5.509 30 20 JKED C=CCOc1cccc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)c1 503409567 UDYDEHLMRGUFHA-UHFFFAOYSA-N 457.239 5.410 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCN(CCc3ccccc3)CC2)cc1 508279736 OHPJGCLASIVJJW-UHFFFAOYSA-N 470.573 5.188 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)c1C 509575178 MBTKLYYILGWQPS-UHFFFAOYSA-N 463.559 5.015 30 20 JKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 510252836 CLYAXUASLIPURE-KRWDZBQOSA-N 477.561 5.204 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)c(F)c1 512093414 WORPUTDGALDLAD-UHFFFAOYSA-N 476.489 5.204 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 512539597 FSZHMBYXUKKVKP-UHFFFAOYSA-N 463.493 5.864 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513209668 FLWRTFAYZHXLNW-CQSZACIVSA-N 463.868 5.866 30 20 JKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513998779 GHEYSAOLJXXYHB-NRFANRHFSA-N 484.575 5.946 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2)n1 514575333 ZEKCVIAISJYMSX-JOCHJYFZSA-N 474.973 6.232 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 515635036 ZOBAPFRBVOITIG-UHFFFAOYSA-N 478.383 5.363 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 515749313 PCROSVDVECNFLU-MHZLTWQESA-N 480.568 5.046 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)c2)c1 516278032 OXHARZXDIODUKX-UHFFFAOYSA-N 497.501 5.260 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccccc2F)n1 517453239 QZMMYEKVNFYMCX-OAHLLOKOSA-N 457.621 6.215 30 20 JKED COc1cc(C#N)ccc1OCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 517510349 FQORBZFGKGTSJE-UHFFFAOYSA-N 470.529 5.107 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cs1 517525245 IGTHCEVCZZDAIQ-HZPDHXFCSA-N 464.616 5.329 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)cc1 518172944 AGWWPIDUOSYRRP-UHFFFAOYSA-N 496.658 5.245 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(C#N)c(Cl)c1 518667233 YVKDXSJGOFQECH-LBPRGKRZSA-N 452.889 5.675 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 518889522 SQRCCODUJQLVFT-MRXNPFEDSA-N 467.447 5.544 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 521134553 QWMSHCOIOTUJJR-UHFFFAOYSA-N 466.335 5.217 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 521209656 FVISANHLJGVREM-UHFFFAOYSA-N 454.574 5.221 30 20 JKED Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C 521711554 DTSMKDXFWBCZGU-UHFFFAOYSA-N 459.471 5.037 30 20 JKED N#Cc1ccc(NC(=O)CNc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)cc1Cl 521718801 SDTFVVQYVALKFO-UHFFFAOYSA-N 465.340 5.005 30 20 JKED CCc1ccc(-c2noc(CSCC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)cc1 521734564 QTRGJXBXWFFQGD-MRXNPFEDSA-N 452.605 5.423 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC1CCCC1 521805168 XUJDUXWCVFYEKW-QZTJIDSGSA-N 481.618 5.227 30 20 JKED CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 523200754 NOZQRYJRXOOHBP-AVRDEDQJSA-N 452.986 5.012 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccc(Cl)cc1 523639300 HWBVUDCDQTZMTL-OAQYLSRUSA-N 463.921 5.219 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C(=O)N4CCc5ccccc54)c3)o2)cc1 524377694 NBEOWDPQAKQRCY-UHFFFAOYSA-N 463.493 5.185 30 20 JKED COc1ccc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CCOCC2)cc1 545289513 JCLPZPFTMRBPDL-UHFFFAOYSA-N 476.960 5.486 30 20 JKED C=CCOc1ccc(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1Cl 589641587 PKENKFATUWJMQG-FQEVSTJZSA-N 452.904 5.377 30 20 JKED C=CCN(C(=O)c1ccc2nc(CC)c(CC)nc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459342 PYCBDFCTWPYBKR-UHFFFAOYSA-N 473.558 5.619 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)c2)c1 603831585 KDFZXNNNYQEOJS-JOCHJYFZSA-N 463.541 5.703 30 20 JKED C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1 603961068 LONROOJKNYGHEO-LJQANCHMSA-N 470.548 5.430 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2cccs2)cc1Cl 604156488 ISDPLXHOIQTMRD-QHCPKHFHSA-N 489.984 5.817 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(Br)s2)cc1 608785684 DMPDJONHRJUYRJ-UHFFFAOYSA-N 458.356 5.433 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(OC)c1OC 609046510 GIIDLTMTGSRPLQ-UHFFFAOYSA-N 481.936 5.394 30 20 JKED CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 609062533 UBMSOEGGVUQJDR-UHFFFAOYSA-N 472.932 6.216 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 609177430 SVRDMJZZDFIWGL-UHFFFAOYSA-N 454.486 5.371 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(I)c3)n2)cc1 609357221 WNJAACYVJGFMDS-ZDUSSCGKSA-N 450.326 5.275 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ncc(Cl)cc1Cl 609387155 PZMRPLBOKRBHAV-JTQLQIEISA-N 463.312 5.852 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)nnc1-c1ccccc1F 613906604 SXDASVUFKUYENR-DEOSSOPVSA-N 484.600 5.537 30 20 JKED O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618464549 IZXNCGZVAUKGMG-YUMQZZPRSA-N 463.749 5.110 30 20 JKED O=C(Nc1ccccc1Oc1cccc(F)c1)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618607810 CCBBXHAGGSZVIE-CHWSQXEVSA-N 478.364 5.146 30 20 JKED CC(C)(C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C(F)(F)F 620304516 ITZGARBWBGDKRT-JTQLQIEISA-N 454.424 5.549 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 622937262 YWTJTEBLROLJAP-IIDMSEBBSA-N 470.429 5.426 30 20 JKED C=CCc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@H](C)CCC[C@H]2C)cc(OC)c1OC 642239210 PVTIQXIOSFENQO-QZTJIDSGSA-N 496.604 5.105 30 20 JKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642684087 XYSUKPAWQWOQRP-RYUDHWBXSA-N 493.370 5.318 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(N)c2c(C)c(C)sc2n1 684184513 OHLLSEXFXHKKBJ-UHFFFAOYSA-N 473.027 5.193 30 20 JKED CCOc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2CC)cc1 726570916 NQEGCXWQZSWUBB-UHFFFAOYSA-O 464.998 5.784 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 726941788 KTCFCKYABXANSE-UHFFFAOYSA-N 453.951 5.010 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)c1 728005561 ODIJMXKDMKCFKI-UHFFFAOYSA-N 452.264 5.060 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 728412233 SGWLBLMSNUGFCZ-NBGIEHNGSA-N 454.570 5.517 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729144166 CEJIRNOZKGIVAS-NRFANRHFSA-N 496.633 5.676 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3scnc3C)C2=O)c1 729144943 HFCZBJBTBNSOKI-FQEVSTJZSA-N 482.606 5.368 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2ccc3c(c2)CCCC3)c1 729670753 YDZHCYVPTJKYJH-UHFFFAOYSA-O 477.606 5.407 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1)c1nc2ccccc2o1 730689701 JXGUHRTZFUSVGO-OPAMFIHVSA-N 465.278 5.726 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)cc1C 730710370 JJACZSIEVXAOFX-NRFANRHFSA-N 482.993 5.414 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)c1 730714150 CRGINZPFHFUMQG-JOCHJYFZSA-N 462.575 5.069 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccc(Cl)s2)C1=O)Nc1cnccn1 730717310 JJNPFJJVVAAART-HNNXBMFYSA-N 492.413 5.005 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1[C@@H](C)c1cccnc1 730942071 CDBPLKYAUMODES-JTSKRJEESA-N 489.557 5.020 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccc(Br)cc1 731074224 LPSQLXZGFOZLFM-LSDHHAIUSA-N 493.448 5.363 30 20 JKED C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 731253784 CJYRZPKYKBNZNK-AWEZNQCLSA-N 496.778 5.244 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(C)cc2C)nc1C 746417424 XUNFVCZCNALGPM-QGZVFWFLSA-N 467.978 5.667 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(S(C)(=O)=O)c(OC)c2)ccc1OCc1ccc(Cl)cc1 747062585 XRZBZXBNTZZNDL-WDZFZDKYSA-N 486.973 5.236 30 20 JKED COc1ccc(OCc2nc(/C=C\C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)cs2)cc1 747614348 FSPNIKABLCBOGM-XGICHPGQSA-N 466.950 5.169 30 20 JKED CC[C@H](C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccc(C(C)(C)C)cc1 749889833 MRSREMULBCHEES-SFHVURJKSA-O 468.687 5.667 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccccc1 750388046 BIKOFJIBYUOCHH-OXQOHEQNSA-N 471.586 5.390 30 20 JKED CCOc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc(Br)c1OC(F)F 750896479 QCHXSLLWTOMHIB-MHWRWJLKSA-N 497.361 5.958 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1cccc2ccccc12 799219214 MZBSTJVSZADNKV-LJQANCHMSA-N 475.467 5.502 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(OC(F)F)cc1 799219419 RYZPQCIWRXFMHT-GOSISDBHSA-N 497.951 5.239 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CC(F)(F)F)C2=O)c1 799221593 QNDPKLBSYZWEDM-KRWDZBQOSA-N 469.916 5.479 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@H](C)c2ccccn2)c1 837385566 YZYKIJGEVWFVRO-WZONZLPQSA-N 493.032 6.073 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3cccnc3)C2=O)c1 837714393 NSAHHABQNGRWOD-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 837917679 HNDCYUCWDOXUIN-UZUQRXQVSA-N 476.577 5.505 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)C(C)(C)c2ccccc21 843537800 CGKDETMKQUQUQQ-UQQQWYQISA-N 481.625 5.361 30 20 JKED O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1 857439847 HLRMCSWPPYYLIM-QGZVFWFLSA-N 450.354 5.210 30 20 JKED Cc1cc(C)n(-c2ccc(-c3noc(C4(C)CCN(c5ccc(Cl)cc5C#N)CC4)n3)cn2)n1 904520138 PJYOFSDWYVDDOO-UHFFFAOYSA-N 473.968 5.017 30 20 JKED CC(C)OCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc(Cl)c1 914546615 HYVPZPHDVGUQGH-QFIPXVFZSA-N 486.037 5.065 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)cc1 915087627 VYWWGKLAJGAJDL-MUUNZHRXSA-N 495.604 5.728 30 20 JKED C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3ccc(NC(=O)Nc4ccccc4)cc3)ccc2c1=O 915658267 WQSQMUQLJLLESP-KRWDZBQOSA-N 499.596 5.006 30 20 JKED O=C1CCc2cc(C(=O)/C=C\c3ccc(/C=C\C(=O)c4ccc5c(c4)CCC(=O)N5)cc3)ccc2N1 915993693 WYNNGHLSOLFIDT-GFIWHYBVSA-N 476.532 5.248 30 20 JKED COc1cc(/C=C\C(=O)c2ccccc2OC(F)F)ccc1OCC(=O)Nc1ccccc1Cl 916140152 CSSOUYUEZZKNNG-BENRWUELSA-N 487.886 5.864 30 20 JKED CCOc1cc(/C=C(/C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)cc(Cl)c1O 916156235 OLUMPFCYWBHYSR-XDHOZWIPSA-N 479.916 5.121 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(F)cc2)c1 916204661 CLIRBNMTJSGMAY-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(Cl)c1 916213027 WSDFFTZKRGKAHN-FQEVSTJZSA-N 459.999 5.035 30 20 JKED COc1ccccc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nccn1C 916227527 BPVUUQCNOVZQKF-RDGATRHJSA-N 485.975 5.649 30 20 JKED Cc1sc2ncn(N=Cc3cccc(OCc4ccccc4)c3)c(=O)c2c1-c1ccccc1 916283631 LELFHVIVFNXRBC-UHFFFAOYSA-N 451.551 5.895 30 20 JKED CCOc1c(Br)cc(C=Nn2c(S)nnc2-c2cccs2)cc1Br 916314139 OGRHVHIHGWMWAA-UHFFFAOYSA-N 488.230 5.101 30 20 JKED N#C[C@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nc(O)c2c3c(sc2n1)CCCC3 916653621 PZDBKEGWQRIAPT-GOSISDBHSA-N 473.554 5.156 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)O[C@H](C)C2 916928615 PCGIHKBKMZQLEE-WREIUUPHSA-N 459.329 5.076 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(Cl)c1 916939547 PMKGVUWYWOIAJZ-KHZFFFCDSA-N 478.751 5.877 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 916954133 FVASYQABUCKCAH-MZNJEOGPSA-N 471.557 5.090 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 917020865 QPESXUXSKUOHPD-QFIPXVFZSA-N 495.457 5.161 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 917036042 IDSOBTFVESKYSY-ZCYQVOJMSA-N 479.001 5.196 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C=Nn1c(S)nnc1SCc1ccccc1 917542899 XJMXNMYUROIOEU-UHFFFAOYSA-N 499.463 5.306 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1C1CCN(C(C)(C)C)CC1 917664425 HXSOKLVHWRXURG-HSZRJFAPSA-N 496.652 5.357 30 20 JKED CCOc1cc(NC(=S)Nc2ccccc2C#N)c(OCC)cc1NC(=O)c1ccccc1 918722008 RUQZRGCTKONUHI-UHFFFAOYSA-N 460.559 5.417 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)c2ccc(C)s2)C1=O 920170001 IPBAXPVJNAOJML-ZHRRBRCNSA-N 497.617 5.926 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccc(OC(C)(C)C)cc2)C1=O 920479749 ULEVYXHJTXAHNF-LJQANCHMSA-N 493.551 5.151 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2F)C[C@@H](C)O1 920937916 HPCAQFKLNLTNLH-BGYRXZFFSA-N 490.554 5.684 30 20 JKED COc1cc(/C=C2/Cc3c(F)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 921263355 BUFNEPQQIWOYMW-WJDWOHSUSA-N 485.433 5.693 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cccc([C@H](C)C#N)c3)C2)CC1 1782972897 JYMBRXSISOAIAJ-XPWISOAGSA-N 479.665 5.048 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5ccc(Br)cc45)CCC3)cc2)C1 1785810399 QMZVODULRRGRBL-UHFFFAOYSA-N 490.401 5.711 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cccc3F)CCC2)cc1 1786548205 OTBLIZCYMZVRFU-OAQYLSRUSA-N 499.558 5.182 30 20 JKED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CCC1 1788990092 BRJWJLPOXJBKGN-SEYXRHQNSA-N 494.016 5.161 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)cc2)CCC1 1789229855 CMNBZNQQEVIZEI-UHFFFAOYSA-N 499.533 5.917 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5[nH]ccc5s4)CCC3)cc2)c(C#N)c1 1790473063 PAPHIUCPNYGJLI-UHFFFAOYSA-N 484.581 5.100 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C)CCC2)cc1 1790519431 BLBDTZFTRBEWMU-JOCHJYFZSA-N 481.593 5.195 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1790565319 ZSQHQFRUUBFZLV-SFHVURJKSA-N 476.552 5.369 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790764802 LGVDBVUXWYYWDK-SAPNQHFASA-N 457.505 5.450 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)c(Cl)c1 1790767174 LZFFWGJCJMZTRK-UHFFFAOYSA-N 498.892 5.687 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5Cl)cc4)CCC3)cc2n1 1790767299 WDABIIBJWKKEFM-UHFFFAOYSA-N 484.943 5.723 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnn5c4)cc3)CCC2)c1 1790925919 NAYKCPMXTQPJNH-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(OC)cc4)on3)CCC2)cc1 1791299342 BWMIUNBLVSTOMR-UHFFFAOYSA-N 481.499 5.309 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1)c1ccc(O)cc1 1791646440 PREQVPRRUKERHE-JOCHJYFZSA-N 470.569 5.249 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccccc4F)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681302 FVBKAWCMAAFZNB-QHCPKHFHSA-N 493.579 5.139 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c(C)n1C 1792124861 MTOWAFKKYYPCJQ-SFHVURJKSA-N 454.574 5.331 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)cc5cc[nH]c45)CCC3)cc2)CCC1 1792230396 IHXXELWSNSYKQB-UHFFFAOYSA-N 491.389 5.372 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(-c2ccccc2)nc1C(F)(F)F 1794713982 POMVMKPPFWMRPI-FNLKRUPLSA-N 488.554 5.135 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc([C@H](C)C#N)c3)C4)cc2n1 1797958093 WFKVYGUOGXMZTC-LTFXSFKNSA-N 487.003 5.389 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccncc1-c1ccccc1)C2 1798420426 GVVPBILGEAJEGU-BKFWDETESA-N 473.693 5.052 30 20 JKED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)c1ccccc1n2CC 1798601885 QHZXJJJIMGLXSK-IEMBSSLISA-N 487.644 5.010 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799146668 IESQIFIVFVBSHW-KOUNCHBCSA-N 473.642 5.917 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c(Cl)cc1F 1800625855 JDTYUOQJICYVCP-MUJYYYPQSA-N 483.809 5.262 30 20 JKED C/C=C/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C)C2 1801633169 OSVUPEWFFPXDCW-DEGAXKBRSA-N 489.701 5.401 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1 1802580098 HTRPCRKJSJPAGD-LEAFIULHSA-N 474.649 5.198 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1803090138 GLNMDAYGNQCRSB-RDPSFJRHSA-N 462.619 5.021 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c(C)noc3-c3ccccc3)CC2)C1 1804858914 XGSNWYOCLYNZBQ-UHFFFAOYSA-N 463.622 5.487 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)C2)CC1 1805610678 PEDGDBBQTJQZBT-LEWJYISDSA-N 458.593 5.292 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)C1 1806016587 YFBRXJANMHOYJT-UHFFFAOYSA-N 489.616 5.256 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1806539780 YXWDYRCDGOIPLB-URXFXBBRSA-N 487.566 5.341 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCC2(CCCN(C(=O)C3(C(F)(F)F)CCC3)C2)CC1 1809604399 FFBPCOWPINMOKM-UHFFFAOYSA-N 494.451 5.422 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@@H]1c1cccnc1 1810173033 OERHTTLJRJFKKW-AHPZGFCPSA-N 473.661 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1810182001 NLTLDZLGIWPHKE-UMEGOILYSA-N 477.008 5.304 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3cccnc23)[C@H]1c1cccnc1 1810272557 PTZOULAUBSKGFD-CUBQBAPOSA-N 498.703 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1811254794 OCFGSGZPLFJBKI-BWKNWUBXSA-N 482.024 5.222 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@H]1c1cccnc1 1811274550 UVXHJLZFPSTRDW-IATMXGELSA-N 482.584 5.355 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811434606 RSBIWYCOLMUEML-XKDCRVNJSA-N 451.954 5.013 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811788299 URQYRGSVDINOTI-IFXJQAMLSA-N 486.321 5.059 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1812806023 PKVCPVQATBVGTE-LBNVMWSVSA-N 459.634 5.136 30 20 JKED CC(C)Oc1ccc(C(=O)NC[C@H]2CCN(C(=O)C3(C)CCCCC3)[C@@H]2c2cccnc2)cc1C#N 1813960266 HMAOYKXKELZANV-ZEQKJWHPSA-N 488.632 5.030 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(ccc5ncccc54)s3)[nH]n2)C1 1814396348 ADARHSUWCNBERU-OAQYLSRUSA-N 471.586 5.445 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)[nH]n1 1814444001 NJGARMFGEHTFKR-NOZRDPDXSA-N 479.669 5.477 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COCc2ccc(C)c(C)c2)[nH]n1 1814829481 RHDOBHGMEJLABT-XMMPIXPASA-N 464.610 5.004 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817744288 SCHDBAXBAHFSJT-XMMPIXPASA-N 469.589 5.280 30 20 JKED Cn1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc2ccccc21 1818438978 HVIAKUMELILGAH-QFIPXVFZSA-N 486.963 5.046 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1 1818808394 XNIKGSNLDLGUSP-URVUXULASA-N 499.656 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)[nH]n1 1819301943 WLLARYVGXAHMED-IERDGZPVSA-N 458.965 5.205 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](c3ccccc3)C(C)C)[nH]n2)c1 1820206757 ZPUIWUJENQMKJN-AZGAKELHSA-N 485.588 5.036 30 20 JKED Cc1cccc(Cl)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1821143021 JSNIBRWTGRAVOM-ZGKFYVQTSA-N 482.993 5.178 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)sc2c1 1821180989 PEHNBYVANDKQKK-OAQYLSRUSA-N 484.585 5.014 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)[nH]n2)c1 1821272541 IEIRRHFMMJOFAZ-OAQYLSRUSA-N 490.926 5.175 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c1 1821325878 SJKXALZMTZKJLQ-NRFANRHFSA-N 465.916 5.002 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc4cccc(Cl)c4c3)n[nH]2)c1 1821569008 DBVBTHSSELTHHI-HSZRJFAPSA-N 484.947 5.103 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)n[nH]1 1822579297 DXQULEMGBKFJFA-URXFXBBRSA-N 493.652 5.413 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccs3)[nH]n2)c1 1823212292 SIYFZIJDDLKJIO-JTSKRJEESA-N 461.591 5.037 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occc4c3O)[nH]n2)c1 1823216619 LZEPPSBGRXLROZ-ZHRRBRCNSA-N 483.528 5.108 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2)n[nH]1 1823268967 VKGPTDWGUVTTES-DEOSSOPVSA-N 462.594 5.273 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)C#Cc4ccc(Cl)cc4)CC3)cc2n1 1824055527 OMVDUEJETIDBNG-DEOSSOPVSA-N 490.003 5.075 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1824452617 XTPQCBBANMRDLD-PVHODMMVSA-N 464.650 5.187 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@@H](S)C(C)C)CC3)cc2n1 1824538690 RUIBIIPSGPYVKT-RPWUZVMVSA-N 488.097 5.384 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824873598 CZRIXYRYHWLCOP-IBGZPJMESA-N 496.467 5.810 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1827528962 CGGZSDFSLRCQTP-HSZRJFAPSA-N 499.099 5.776 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683829 LIFJMXOOYJQJOF-LEQVUBRHSA-N 493.673 5.113 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)oc2ccccc12 1828123833 PFKYNDKYXNUTDZ-AREMUKBSSA-N 483.612 5.479 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)CC1 1828526785 ZABGNMCTKYOELH-RPWUZVMVSA-N 464.606 5.443 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1828889137 NHTDMMGNWDGSCW-AOYPEHQESA-N 488.628 5.392 30 20 JKED CCOc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828907087 ULAQRIWRJNQEAM-SANMLTNESA-N 482.741 5.370 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C)c3ncccc23)CC1)c1ccccc1 1829031722 DGJVXUZGIHJYBG-LEAFIULHSA-N 496.655 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn3c(Cl)cccc3n2)CC1 1829066548 IVESGORYAHGBJP-NRFANRHFSA-N 471.045 5.213 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)ON=C(C)C)CC1)c1ccccc1 1830412871 YBKOJEDOWVVJIA-DDOAZUFRSA-N 469.670 5.237 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)cc1 1830632183 BYKAVLGEEQQXTA-RUZDIDTESA-N 455.558 5.046 30 20 JKED CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755982 PZRHGHUTGDSIKN-HSZRJFAPSA-N 475.555 5.557 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1830826836 BHEBBQUUXJNXOL-VWLOTQADSA-N 489.664 5.274 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1 1831441961 HCKUOMHMAQRLHE-SFHVURJKSA-N 474.470 5.030 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F 1831453345 QNFOSMCYHRTYTC-SFHVURJKSA-N 462.434 5.057 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Br)c(OC)cc3o2)CC1 1831860511 RRTZXYMFKIJMDW-IBGZPJMESA-N 489.410 5.013 30 20 JKED C[C@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CC=CCC1 1832406500 IZDUQCKEOGRTFZ-BVAGGSTKSA-N 498.465 5.300 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1832549001 ZYFKMYLAFYCDAE-QHCPKHFHSA-N 467.972 5.206 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832687393 YDGVBNKKOJCESJ-WIYYLYMNSA-N 464.984 5.620 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(F)CCCC=C3F)CC2)cc1C#N 1832704758 SHQFQYCUFMYRSU-NEKDWFFYSA-N 499.602 5.324 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1)C(F)(F)F 1832720411 UPSLVJKCAZXNBZ-SFHVURJKSA-N 496.879 5.711 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1832793408 XPTYJELJZOEOGR-KVVRFYPFSA-N 491.676 5.163 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1832984474 ZKXUXSVOXHKYIJ-FLFAWLEMSA-N 498.614 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)CC1 1835815959 KYUOCYGEJVYILT-UHFFFAOYSA-N 485.669 5.218 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1[nH]c3ccc(Br)cc3c1C)C2 1844357203 NFDDFQXHLREUCM-UHFFFAOYSA-N 472.427 5.048 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)C1 1845737179 ZXYCDXQYJCBYGI-UHFFFAOYSA-N 472.427 5.048 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nnc1-c1ccccc1 9447081 QFEUJRPMCUDDLB-UHFFFAOYSA-N 482.034 6.218 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173515 NXRSHZRKRBXEPD-UHFFFAOYSA-O 482.673 6.134 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179112 KCZPQVHYKVARSH-UHFFFAOYSA-O 470.854 6.609 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1cccc(Cl)c1 10830195 VUHRJMCTLUKCQB-UHFFFAOYSA-O 464.825 6.548 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(Cl)cc2Cl)c1 10836890 HYSIGEWXBLVMHT-UHFFFAOYSA-O 458.434 6.764 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1F 11082985 PZFMOCMMXAIBJX-UHFFFAOYSA-O 452.619 5.725 30 20 JKED CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C(F)(F)F)c1 11554441 IDYIEJXXXUJROE-NRFANRHFSA-N 497.502 5.222 30 20 JKED Cc1cc(C)cc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccc(Br)cc2)c1 15235443 ZMPFVQNZNNSQRL-QGZVFWFLSA-N 466.408 5.849 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cc(C)ccc2C)cc1 22729634 VVRDGTBNCLMUET-UHFFFAOYSA-O 458.434 6.511 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc3c(c2)CCCC3)s1 22733146 LJYBCKYGJSETMB-UHFFFAOYSA-O 476.474 6.581 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nn(-c2ccccc2)c(=S)s1 23499854 IRDVOBHQLBVMQF-HNNXBMFYSA-N 456.618 5.099 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23604940 ZMMKKZHSYNJCPI-UHFFFAOYSA-O 459.010 6.060 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)/C(O)=N/c1nc(-c2ccc[nH]2)cs1 29352958 YITJXFDFIBWSLS-UHFFFAOYSA-N 459.453 5.430 30 20 JKED Cc1nc(Cc2ccccc2)sc1/C(O)=N/c1nnc(SCc2ccc(C#N)cc2)s1 33150990 BKBFCCKRAWANLK-UHFFFAOYSA-N 463.613 5.694 30 20 JKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 60127437 WZDHGFAQBFQEMY-AWEZNQCLSA-N 459.855 6.462 30 20 JKED CSc1ccc(-c2csc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)n2)cc1 110893213 AJHPBTUXPSREIH-UHFFFAOYSA-N 450.589 5.198 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n2CC)cc1 218671589 DDCMWGGVYGRPQR-INIZCTEOSA-N 494.690 5.352 30 20 JKED N#C[C@H](C(=O)CSc1nnc(Nc2ccccc2F)s1)c1nc(-c2ccccc2)cs1 247747584 QQAJDPMMLOLZGN-CQSZACIVSA-N 467.576 5.513 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2)cc1 303189814 MDNDVQURQAORFE-UHFFFAOYSA-N 496.588 5.672 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)[C@@H]2c2cccs2)cc1 303340837 YMBAHDLGZWTKHQ-BNIKKZEQSA-N 489.666 6.431 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 476758047 LEQWVUOTZXXSOO-UHFFFAOYSA-N 480.446 5.452 30 20 JKED COc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1OCc1ccc(Cl)cc1 478949308 GAKUOFZWLMCAKC-UHFFFAOYSA-N 475.976 5.152 30 20 JKED CSCc1nc2ccccc2n1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 485990279 ODDVPCHZHMQSJX-UHFFFAOYSA-N 456.571 5.183 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(Cl)c1 486869335 PSBJWCBIIWWWHE-QFIPXVFZSA-N 480.395 5.681 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 488015744 SVSXRWQAAYXONQ-UHFFFAOYSA-N 491.570 5.672 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3nnc(SCc4cccs4)s3)c2)cc1 490091349 QRGWQDDWYWUWGQ-UHFFFAOYSA-N 450.570 5.808 30 20 JKED C=CCc1cc(CNC(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)cc(OC)c1OC 497827011 BGCCGXUKMJHPHA-LJQANCHMSA-N 450.604 5.967 30 20 JKED CC(C)c1nc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)nn1-c1ccccc1Cl 498278364 WFODUJPRDSTNBO-UHFFFAOYSA-N 496.021 5.312 30 20 JKED CCCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H](C)c1ccc(Cl)c(Cl)c1 498378121 PAUWXONISUMHJO-MRXNPFEDSA-N 467.418 5.684 30 20 JKED C[C@@H](NC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)c1ccc(C#N)cc1 505317438 IHDQKFBBHLESTN-HXUWFJFHSA-N 484.003 6.026 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H]1c1ccccc1OC 506722261 RKHNTWGZLBOMBJ-CYFREDJKSA-N 465.619 5.226 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(Oc4ccccc4)nc3)cc2Cl)cc1 507089114 PITXAWCQGCAJKA-UHFFFAOYSA-N 498.926 5.446 30 20 JKED N#CCC[C@@H](C#N)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1Cl 508534075 MWIFZZKPYSVXSO-AWEZNQCLSA-N 487.810 5.396 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4nc5ccccc5s4)CC3)c2)cc1 509906029 USMAPJDUSWXYRJ-UHFFFAOYSA-N 482.609 6.353 30 20 JKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510009070 CREHNZAUGLCEHY-JOCHJYFZSA-N 460.965 5.715 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 510222101 LASSTTQMDXWWCK-UHFFFAOYSA-N 464.319 5.224 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(F)c1 511372736 JZMHAMKZTPATLW-VWLOTQADSA-N 469.520 5.115 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 511475379 OIJLJXUUVORBAB-UHFFFAOYSA-N 473.957 6.022 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 513389812 KUMDHMSAGGDPIK-AHWVRZQESA-N 490.003 6.217 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2N2CCOCC2)cc1Cl 513984058 XXBDPFVYMKCHCV-HSZRJFAPSA-N 460.965 5.154 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)NCc1ccccc1)c1ccccc1 514400436 MJDWSGSXBVVRAL-VWLOTQADSA-N 454.599 5.205 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4cccs4)n3C3CC3)c2C#N)C1 514898331 WMJXSCCBTOKONG-ZDUSSCGKSA-N 469.661 5.520 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cc(F)c(Cl)cc1Cl 515398901 MENOIFRMPJVIIU-CQSZACIVSA-N 486.330 5.399 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1 517447491 IKDPICVCIROKSN-HNNXBMFYSA-N 455.634 5.573 30 20 JKED Cc1nc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)sc1Cc1ccccc1Cl 517506508 JBCCFNMSICGGQO-UHFFFAOYSA-N 466.994 5.361 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4C)c3C(F)(F)F)n2)cc1 517800881 MVQIXTSMWXGEHL-QGZVFWFLSA-N 482.487 5.822 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1Cl 518548336 YUHJOIMNZIYBAF-DENIHFKCSA-N 480.351 5.227 30 20 JKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 518642082 QETHFHSRKARGCJ-SFHVURJKSA-N 489.944 5.869 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 518652739 AROPMYBCYOCBLX-LBPRGKRZSA-N 450.511 5.263 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 518654055 WLSYYAUCWARTGE-MRXNPFEDSA-N 476.652 6.483 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 518754707 YBXZVXNBXPIACC-IFXJQAMLSA-N 450.391 5.993 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 518814960 MDVWKPYBBHEVRT-UHFFFAOYSA-N 469.610 6.119 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2Br)no1 519516509 NBLPRZLRDDVWDV-HNNXBMFYSA-N 486.391 5.971 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccccc3SCCC#N)cc2Br)no1 521715889 CFUBWIVTNUEFJF-UHFFFAOYSA-N 472.364 5.583 30 20 JKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CC3)n(CCC#N)n1 522134551 HBCUBPMAXPUFAC-MNDPQUGUSA-N 467.960 6.046 30 20 JKED CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 524261510 VHGZCPNENYCSNN-UHFFFAOYSA-N 476.964 5.475 30 20 JKED COc1cccc(CO[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524392745 CBMFFWUEVRDJSW-QGZVFWFLSA-N 450.922 5.343 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 590532866 NGCLDIWASFBPGX-WDNDVIMCSA-N 490.366 5.472 30 20 JKED Cc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2cnn(Cc3cccs3)c2n1 603738928 JHWYEHCEEFRFFY-UHFFFAOYSA-N 480.553 5.469 30 20 JKED CCOc1c(Cl)cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 604003406 DIWLOFHZHMKTHU-UHFFFAOYSA-N 450.922 5.645 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)cc1Cl 604566629 LFZCVZINZIAWLS-GOSISDBHSA-N 482.853 5.242 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)CNc1ccc(C#N)cc1 608879186 TYHYYVUXUFFIFG-UHFFFAOYSA-N 452.436 5.188 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 608963535 SXPKYUIRWLWKOF-HSZRJFAPSA-N 466.965 5.857 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 609001233 TYXAKPZIQZIYDU-VWLOTQADSA-N 455.558 5.257 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1F)c1nccn1C 609078077 BJJKDABGPXMMHN-RUZDIDTESA-N 469.520 5.229 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1)c1ccc(C#N)cc1 609088120 NAIOPWFDPPGQQB-HNNXBMFYSA-N 488.906 5.507 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Cl)c(Cl)c1 609088462 ADNRVPHORWOGQT-OAHLLOKOSA-N 456.276 5.063 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1Cl 609089296 FZRVPXYQQXQWPJ-HXUWFJFHSA-N 480.395 5.681 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)c3ccco3)c2)cc1 609176406 HJRMWYPPLZXKCW-RUZDIDTESA-N 463.493 5.149 30 20 JKED CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 609207209 VVUWCEFOXFYBNA-IBGZPJMESA-N 485.462 5.273 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(-c2cccnc2)no1 609207298 OPVKMLDFNFSKLB-XMMPIXPASA-N 482.544 5.295 30 20 JKED N#CCN1CCC(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)CC1 609340264 MUKBFUIVDVYZDE-UHFFFAOYSA-N 498.471 5.424 30 20 JKED COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 609430690 SIKRAUMPGXRXQA-SFHVURJKSA-N 495.626 5.451 30 20 JKED COc1cc(CNCc2cccc(OCc3ccccc3C#N)c2)cc(Br)c1OC 609433384 WZKKHLAISBHLCL-UHFFFAOYSA-N 467.363 5.207 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)NCC#Cc4cccc(C(F)(F)F)c4)CC3)c2c1 612314485 DJENGPZCZXEIDY-UHFFFAOYSA-N 453.464 5.046 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)nnc1-c1ccco1 614012865 ZXKZCFONADVMCD-QFIPXVFZSA-N 462.600 5.052 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2c(C(F)(F)F)cc(O)nc2o1 642175610 QTAVRRFAEQTLHE-JIGDXULJSA-N 464.284 5.192 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H](C)C2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 650198443 OOPSZFSYWHHUAT-HNNXBMFYSA-N 471.623 5.109 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 675562375 WNTTXORVGYYSLV-NRFANRHFSA-N 469.010 5.249 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 726098640 LOMDAYYPJFILDE-UHFFFAOYSA-N 474.605 5.163 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726402146 VVKSGIIIFNBZJR-QUCCMNQESA-N 463.525 5.170 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC3CCC3)C2=O)cc1 726404405 XIEAHFCYFAVTQB-QFIPXVFZSA-N 496.036 5.038 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C#N)c(Cl)c1 726409466 SRZONYPQDAQLHY-GOSISDBHSA-N 461.374 5.154 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC)c(F)c2)cc1 726409800 CWXQVXITFAHVOO-QHCPKHFHSA-N 493.560 5.003 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726421912 QLAUUIGTBIFVAJ-YYPFHMQMSA-N 474.611 5.210 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)cc(Br)c1OC(F)F 726427272 IQMYHZXHJNFBCC-ALCCZGGFSA-N 484.293 5.312 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 726941717 JCIQAFAFPCLNNK-UHFFFAOYSA-N 498.402 5.119 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(N2CCOCC2)c(F)c1)C(=O)c1ccccc1 727264907 ZQAAZFCLYLRZHB-PLRJNAJWSA-N 486.587 5.692 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(Cc3c(F)cccc3Cl)o2)cc1 727265587 GVFNEUXQQGXTLJ-OAHLLOKOSA-N 458.946 5.189 30 20 JKED CCOc1cc(/C=C\C(=O)c2sc(-c3ccccc3)nc2C)ccc1O[C@H](C)C(=O)N(C)C 727780100 HBJJRGIEUXCLMQ-RXXLQFRUSA-N 464.587 5.269 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1C 728421481 VUXUYYZRCDFJJR-NTKDMRAZSA-N 483.597 5.292 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)cc1 728776215 AFOITAIEPGXSRK-OAQYLSRUSA-N 482.993 5.197 30 20 JKED C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 728921324 UVFDXRFNGPGAML-CQSZACIVSA-N 458.967 5.075 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1 729669460 YMLWCTYFGVWBRK-UHFFFAOYSA-O 487.960 5.076 30 20 JKED Brc1ccccc1-c1nc2c(s1)C(=NNc1ncnc3sccc13)CCC2 730431753 VRWKEJFNYJMMAJ-UHFFFAOYSA-N 456.394 5.730 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(C3CCC3)C2=O)c1 730461720 HAYJSAODYAUKKE-HSZRJFAPSA-N 481.618 5.340 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C1CCC1 730462187 XKHIYJFRLPCAKT-IBGZPJMESA-N 473.385 5.378 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2C2CCC2)cc1F 730462637 ZSFMLEJTMWJWFN-LJQANCHMSA-N 490.944 5.209 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2Sc2ccccc2)cc1 730683538 IYINTRWEWUMEEN-AREMUKBSSA-N 477.589 5.748 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2CCc3c(Cl)cccc32)c1 730711954 JQAOOQRRDOPYRH-LEWJYISDSA-N 492.004 5.086 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1 730951488 IBUSDPMHXBDAQT-GFCCVEGCSA-N 467.563 6.440 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccc(N3CCOC3=O)c2)c1 745625991 HCXQFNQDFDGJSY-QBFSEMIESA-N 495.535 5.409 30 20 JKED C=CCOc1c(Br)cc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)cc1OC 814289531 QEOWGTDSIUPZEW-YBEGLDIGSA-N 482.446 5.485 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@@H](C)c2ccccn2)c1 837385564 YZYKIJGEVWFVRO-MBSDFSHPSA-N 493.032 6.073 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2OC)c1 838486207 IEOFRBQBQCCCAI-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@@H]2C[C@H]3CC[C@H]2C3)[n+]2ccc(C(C)(C)C)cc2)C=C1 912842471 IWUBDHGVUWXVQE-ZCVJKFOLSA-O 492.709 5.667 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2sccc2C)cc1 914549735 HRRHFYVCFWKQBA-HXUWFJFHSA-N 483.590 5.365 30 20 JKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(OC)c1Br 915086321 JHSFVOAZGRIGKI-LJQANCHMSA-N 451.320 5.374 30 20 JKED Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)n1 915104061 JGOIGMLBSBFNIK-INIZCTEOSA-N 454.527 5.979 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S 915814370 YJMVXEGTLPYHLF-GHTZIAJQSA-N 491.642 5.517 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916135752 OAAKMZVPOOCBBI-SDQBBNPISA-N 473.422 5.767 30 20 JKED O=C(O)C(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc2ccccc2n1 916138272 CYUCAXBCDOYKLD-ATVHPVEESA-N 493.269 5.360 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(C2CCCC2)C1=O 916205812 RJLDOSZARUUXMK-HXUWFJFHSA-N 457.983 5.252 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)c(Cl)c1 916206169 XHKFVALLBHOWLY-QGZVFWFLSA-N 485.890 5.644 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)cc1 916215630 WCYGLMQOVRBCBT-HXUWFJFHSA-N 457.983 5.170 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc2ccccc12 916217007 BEDIHVGGFFQGCO-XMMPIXPASA-N 475.614 5.453 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(C[C@@H]3CCCO3)C2=O)cc1 916217285 JUAZZIRJWMTCNN-URXFXBBRSA-N 473.598 5.288 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cs1 916546584 ZROISNUJTQRGER-UHFFFAOYSA-N 497.049 5.864 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)o1 916888145 SCPAOWXGLJOUHQ-GOSISDBHSA-N 467.453 5.006 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 916899345 JIZWWRAOGHLINV-JMUQELJHSA-N 459.590 5.025 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccccc1Cl 916911485 MJKFGLNHLXGYPR-FQEVSTJZSA-N 477.898 6.047 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c12 916916593 XFXLCMYNBYDXCP-IBGZPJMESA-N 465.538 5.120 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 916941328 SJTDKQJGUUFAKN-HKLWWIALSA-N 490.787 5.747 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc1 916948258 FMPYKKLBNZORJO-SPLOXXLWSA-N 466.379 5.642 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cnc(-c4ccccc4)nc3)cc2)cc1 917145273 PQZWKPXCQWGOAO-CXUHLZMHSA-N 455.539 5.149 30 20 JKED CCOc1cc(/C=C/C(=O)c2cn(C)nc2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 917520400 NNYBRESHLRVLBP-CSKARUKUSA-N 487.478 5.060 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccccc2C(F)(F)F)cs1 917561659 JJDZSJKTMREUHV-FLIBITNWSA-N 450.869 6.396 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC(F)(F)F)C1=O 917704637 VXVRXKPBFVQVRF-KRWDZBQOSA-N 480.899 5.043 30 20 JKED CN1CCC(N(C)c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)CC1 917794166 JPWDWVWIXDBITO-UHFFFAOYSA-N 456.615 5.492 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)cc2Cl)cc1 918052416 JIHQBEUTVGNVKK-UHFFFAOYSA-N 474.948 5.562 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cs1 919636876 CCYUVDFSSFOYFK-QFIPXVFZSA-N 483.977 5.500 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 919773548 QRLDDMKRKLYDGB-NTKDMRAZSA-N 452.583 6.657 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CSc3ccc(Br)cc3C2=O)cs1 920069597 VNEISPLLXFAMJU-OQLLNIDSSA-N 485.428 6.271 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1 920083064 IVFUINLEHWPMJK-QLYXXIJNSA-N 491.038 5.242 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 920140541 ICKPUAMZAGAASZ-QGZVFWFLSA-N 456.354 6.024 30 20 JKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141859 MXEKTHWLZAJGDW-BLLLJJGKSA-N 458.395 6.346 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920354281 BUFHZSMNKGQXLA-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3c(C)noc3C)C2=O)c1 920355982 RHLWOGLNAFAGQU-JOCHJYFZSA-N 497.020 5.722 30 20 JKED Cc1nn(C)c(C)c1C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 920832026 BCIFYKAXLDJHGA-BENRWUELSA-N 468.557 5.006 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 920867745 HAECRXKJKCDPKB-BEFAXECRSA-N 493.601 5.244 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 920869953 QPRHPZITPSVMAR-QVKFZJNVSA-N 492.016 5.339 30 20 JKED C=CCCO[C@@H](C)C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 921149548 TWDPVGAYFWHPGX-AWEZNQCLSA-N 491.915 5.071 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(F)c3)CCC2)cc1 1786546540 KHXZTVNGEYOUAI-QFIPXVFZSA-N 499.558 5.182 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OCC4CC4)c3)CCC2)cc1 1786679280 XQPZKJQQJGSNHA-UHFFFAOYSA-N 480.630 5.151 30 20 JKED COc1cccnc1CCC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1786827945 FOYBSXPEGXTIPM-UHFFFAOYSA-N 491.708 5.208 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C(F)(F)F)cc2)CCC1 1787398505 WHTWPYCRQZGQDM-OAHLLOKOSA-N 465.472 5.155 30 20 JKED COc1cscc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649310 DDHABDDZQFJWJH-MDZDMXLPSA-N 466.584 5.005 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc4cc(O)ccc4n3)cc2)CCC1 1788943559 NBKPQNYVMPIEIJ-OUKQBFOZSA-N 497.576 5.189 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c4CC[C@@H]5C)cc3)CCC2)cc1C#N 1789011170 WCOUWPJWBSLDNN-SFHVURJKSA-N 497.599 5.180 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CNc4ccccc4O3)cc2)CCC1 1789469929 MSRLNYMJJYIRFT-QFIPXVFZSA-N 461.606 5.376 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)[nH]4)cc3)CCC2)cc1 1789672206 IJQIBLKGUGRNQC-UHFFFAOYSA-N 480.490 5.286 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)sc1C 1789983387 IHMCJDJENLAQHM-UHFFFAOYSA-N 499.518 5.107 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790001453 XERWKQHZSONCIF-UHFFFAOYSA-N 487.625 5.885 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(C)cc(OC)cc3C)cc2)CCC1 1790752397 OBULWSGJKDPJKC-UHFFFAOYSA-N 450.579 5.043 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)cc2)CCC1)C(F)(F)F 1790990358 QNFCZAIXSVXLOP-UHFFFAOYSA-N 496.411 5.219 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791422849 NCDWGULGNKPEJJ-WXVAWEFUSA-N 481.637 5.124 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(Br)ccc3OC)cc2)CCC1 1791523333 CYGQQRPPSPLHFJ-VGOFMYFVSA-N 481.390 5.018 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn(C)c4C(F)(F)F)CCC3)cc2)c1 1792123048 HTGZEUOBLTWHEV-INIZCTEOSA-N 495.505 5.127 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c1 1792123713 PJIIJXNOEHLSQR-HYSAVQALSA-N 483.593 5.562 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792230171 VJDMDSHUKQVVRH-UHFFFAOYSA-N 454.530 5.092 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCc1ccnc(-c3cc(C)ccn3)c1)C2 1798594792 PHPOSBZROGXAKL-QEIWAGNOSA-N 488.676 5.405 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(CC#N)cc3)ccc21 1800543568 JKYANFSXWCBTMX-QEIWAGNOSA-N 490.607 5.446 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2c(F)cccc2Cl)[C@@H]1c1cccnc1 1802847734 CFIBTBKIBGJQJU-DVECYGJZSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1803420798 OMOZVMUKNJZCPC-BGWNEDDSSA-N 465.663 5.261 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1803561629 JCRSAAYNJFJMPI-OFSOJUDTSA-N 491.676 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1804845777 NKRYFQRKERYPIB-DKRHUIDYSA-N 482.628 5.473 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)C1 1806676275 SHIIFDDDLNLNDT-UHFFFAOYSA-N 499.680 5.666 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1807970711 JEZQGRQYRKOSGF-RXVVDRJESA-N 482.675 5.373 30 20 JKED CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)s1 1808802396 LMNSRNBGKZOLRK-YADARESESA-N 490.604 5.085 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 1808973903 GGUWLPVMTOUWEH-VIZCGCQYSA-N 488.591 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1809104719 FISUTJBMYRSDMQ-IMSXRSKXSA-N 474.630 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1809161144 NWOZODBIRYLXLJ-XUZZJYLKSA-N 459.590 5.448 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1810172364 ASBQQXVDHAWSPW-WWNPGLIZSA-N 471.523 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1810498677 OXAPBXBZMRBHQU-GMQQYTKMSA-N 471.645 5.277 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1810499259 WVOBIDSVJPQMHA-GBXCKJPGSA-N 465.663 5.334 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810591626 SFADUBAFMVOTEF-JQYIIUTOSA-N 496.051 5.610 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813955960 ZLFXSTNAAAETLT-PUUVEUEGSA-N 453.586 5.280 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)[nH]n2)C1 1814397792 YQPZNWJDJIWPCY-JOCHJYFZSA-N 454.530 5.581 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn3cc(Cl)ccc3n2)[nH]n1 1814443029 IJKAETWCRDCDCI-LJQANCHMSA-N 468.989 5.009 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn3ccc(Cl)cc3n2)[nH]n1 1814443110 MNRPWWZLPUSHTP-IBGZPJMESA-N 468.989 5.009 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)[nH]n1 1814444136 VDPXHHQCHFJVEQ-JOCHJYFZSA-N 460.582 5.098 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(Cl)c(F)c3)n[nH]2)c1 1814674893 ZBRAGXGCWXIXRB-HJPURHCSSA-N 493.970 5.378 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)[nH]n1 1814826848 IRFIKWCEPFXRLS-CJFMBICVSA-N 475.637 5.235 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1814964080 RCNQQERWXVHYDT-HSZRJFAPSA-N 481.717 5.031 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1 1815209509 IZZUILQCBZZBPE-OAQYLSRUSA-N 493.435 5.324 30 20 JKED CC(C)c1csc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)n1 1816063011 LJEHGGDMFJYTGK-GOSISDBHSA-N 482.997 5.134 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1818144578 GPYXIWWANXGZNA-QHCPKHFHSA-N 494.555 5.059 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N(C)C)c3ccccc23)n[nH]1 1818609240 HJKAXBJNRMBCLV-HOYKHHGWSA-N 459.594 5.147 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820229441 PULSHCBMUKBLKV-NRFANRHFSA-N 466.969 5.884 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1820639165 NQEOGLVLLOQORL-VWLOTQADSA-N 485.588 5.009 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821087790 JSQVFQGBGOHHTC-QGZVFWFLSA-N 486.947 5.307 30 20 JKED Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1821108534 WCRAYGXVPGBQFG-HXOBKFHXSA-N 459.525 5.104 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821213842 BQRILLVDGVPNPC-IFXJQAMLSA-N 462.953 5.119 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1821987636 JQBQUBLMOQGZNR-SFHVURJKSA-N 480.943 5.368 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3c(Cl)cccc3s1)CC2 1823084432 ALVLXCMPJXHQSP-CHWSQXEVSA-N 491.038 5.038 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1sc3ccccc3c1Cl)CC2 1823085482 KTHYJXLJIMTPMV-OLZOCXBDSA-N 491.038 5.038 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n[nH]1 1823295321 GBIOWYGSHZXIBQ-FZKQIMNGSA-N 452.452 5.086 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Br)CC1 1823929986 OOOAEIKNEJJQLV-KKSFZXQISA-N 465.407 5.034 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1824822340 DLYIYDUJXSWPFV-JRWCXLMHSA-N 491.582 5.102 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827772960 KHVZAGVLELGLBS-HXUWFJFHSA-N 453.549 5.259 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccccn3c2C)CC1)c1ccccc1 1828076664 CIMIAHSYPRUXJI-SVBPBHIXSA-N 496.655 5.073 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)oc2ccccc12 1828126997 DDBOZONBDGJGHS-DEOSSOPVSA-N 490.003 5.813 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1)C(F)(F)F 1828459256 KWHOUESKTHRXKV-ZDFPQIBNSA-N 454.577 5.331 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1828884021 LKDWYSNHCLORKR-RCZVLFRGSA-N 499.051 5.406 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1Cl 1829688936 PTIOKBSEMOZFSU-HSZRJFAPSA-N 484.427 5.341 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830720417 KFLZDFPMVUECMV-QFIPXVFZSA-N 485.415 5.116 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1831444538 RXGXEYXQRXBLKL-JOCHJYFZSA-N 482.999 5.330 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(F)cc1 1831752729 MFLIJMUMFZLKKT-NSOVKSMOSA-N 489.635 5.565 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1831836115 CPMQUDQRHKYLHW-NHQWAZTISA-N 477.114 5.552 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1831852573 SULFVFSMKBXCLM-BHBYDHKZSA-N 474.645 5.125 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 1832024678 BXDHIQWZJABLMA-QFIPXVFZSA-N 477.418 5.015 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCn2cccc2)CC1)c1ccccc1 1832267641 YUWGFJBEFKHMKK-IZLXSDGUSA-N 473.661 5.085 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1Cl 1832629324 QVERMYXMDBRUIG-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1832634713 YYCSSNRYMCDBSM-DFBJGRDBSA-N 489.019 5.386 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3F)CC2)c1 1832635374 BZZASQARIDXQPL-KDYSTLNUSA-N 475.608 5.319 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1F 1832703009 RUCSPPCVNJIUFX-VWLOTQADSA-N 491.607 5.340 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)CCC1 1832787906 HNVXAOJHXWKZQK-JOCHJYFZSA-N 476.448 5.240 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC4(CCCN4C(=O)c4cccc(C#N)c4Cl)C3)ccc21 1844735536 BFCMJXZTHLXYRT-UHFFFAOYSA-N 496.998 5.470 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)C(C)(C)Oc2ccc4ccccc4c2)C3)c1 1846830013 IZAYCPPPNHSAAQ-NRFANRHFSA-N 481.596 5.141 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(-c2ccccc2)n2ccccc12 1847532760 WOZFUQJLMMUMJQ-UIOOFZCWSA-N 453.586 5.190 30 20 JKED C=CCn1c(SCCC(=O)Nc2cc(C)on2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10123598 XNTAKCBFBXEVOO-UHFFFAOYSA-N 484.578 5.176 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1cccc(O)c1)c1ccc(-c2ccccc2)cc1 10172729 IWOHZJMPCBPMMX-UHFFFAOYSA-O 491.539 5.999 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172740 DSNFVYJOYDBBKR-UHFFFAOYSA-O 461.941 5.842 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Br)c2)cc1 11084998 PIHBUDWWINLKQO-UHFFFAOYSA-O 490.393 6.018 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)nnc1-c1ccncc1 12055717 HPSBQBMSFZHOOX-UHFFFAOYSA-N 477.977 5.703 30 20 JKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S1 15231736 FFBIZFSCZAZLQS-KRWDZBQOSA-N 463.575 5.374 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccc(C(C)(C)C)cc2)c1 20887858 KSRPOVKBTFNLTQ-UHFFFAOYSA-O 498.466 6.094 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 20972944 BQNUXQLXMQYNDI-GFCCVEGCSA-N 460.342 5.101 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 22078521 UNPLPWDQNZLKSO-GOSISDBHSA-N 496.036 5.581 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NCc2ccc(OC)cc2)cc1 22692683 OIUVXICDTDPXTI-UHFFFAOYSA-O 483.604 5.893 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22731014 HBXQLZSNFQAVAK-UHFFFAOYSA-O 459.635 5.865 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 22731750 QMJAVPGKLAGDSR-UHFFFAOYSA-O 479.569 6.246 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccc(C(C)(C)C)cc2)c1 28811033 DFHHKSJKFGLTHR-UHFFFAOYSA-O 496.494 6.647 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 29487395 STSRYGXFHHBGCY-UHFFFAOYSA-N 487.968 5.932 30 20 JKED COc1cccc(NCc2nnc(SCCC(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)c1 31750248 UJWZEOBNPQLSFH-UHFFFAOYSA-N 490.633 5.397 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)cc1 46893619 ILFZKPWZNBSOPX-DHLKQENFSA-N 471.988 5.795 30 20 JKED COCCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2cc(Cl)ccc21 104783324 KJLMVZRSNGQITO-UHFFFAOYSA-N 452.967 5.179 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 108021331 CYDFGIZKQNHNAD-UHFFFAOYSA-N 485.588 5.162 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)cc1 409465958 PFLKPYQTMJHCSH-UHFFFAOYSA-N 499.386 5.306 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 483009410 FEGRJVRPGMWBEQ-QHCPKHFHSA-N 462.525 5.209 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 485439783 UGBKALJTMJHLDJ-ZDUSSCGKSA-N 494.407 5.281 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1C 497802116 GQHJBCDLBOVBSA-UHFFFAOYSA-N 495.549 5.057 30 20 JKED C=CCn1c(SCC(=O)Nc2cccnc2OC(C)C)nnc1-c1ccc(Cl)cc1Cl 499829885 MWQFOXRWFMGKNU-UHFFFAOYSA-N 478.405 5.351 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 500002633 MMBFLKOQCFGXOK-XDJHFCHBSA-N 482.565 6.575 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 500037496 KPVZUUFEFIIFSX-UHFFFAOYSA-N 478.396 5.106 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cc(F)ccc2OC)nnc1-c1ccc(Cl)cc1Cl 501681050 IDXTZMMVAYOCMP-CYBMUJFWSA-N 495.407 5.555 30 20 JKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 503158865 NVZFOKRGTPUCIE-QHCPKHFHSA-N 460.965 6.056 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 504797813 SVSBRZBPMOQPCK-UHFFFAOYSA-N 497.473 5.636 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 507875881 QQVIWNPPQWWZBK-UHFFFAOYSA-N 450.498 5.039 30 20 JKED C=CCn1c(SC[C@H](O)COc2ccccc2F)nc2scc(-c3cccs3)c2c1=O 508503305 NDAULKXZVPRDIV-CQSZACIVSA-N 474.604 5.044 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510041399 CYFFMYGLGALJJD-ILBGXUMGSA-N 490.003 6.217 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(Cc3cccc(F)c3)CC2)cc1 511340457 YVBQJLRMICDJHA-UHFFFAOYSA-N 457.549 5.957 30 20 JKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 511556068 YYIGADNYWAGHPF-OPAMFIHVSA-N 466.368 5.807 30 20 JKED C=CCN(C(=O)Cn1cc(Br)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 511947774 HZSHXBZANLLDFH-UHFFFAOYSA-N 472.195 5.295 30 20 JKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CCc1c(C)nn(CCC#N)c1C 512822142 FKYAMCBHFAKELG-UHFFFAOYSA-N 450.514 5.233 30 20 JKED C=CCN(Cc1cccs1)C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12 512958017 ZNXVHVUJAZCNLP-UHFFFAOYSA-N 460.599 6.061 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 515796031 WYAZJQWRNXGEFY-INIZCTEOSA-N 498.992 5.137 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 516284602 NEIADGJXGMQPHO-UHFFFAOYSA-N 476.536 5.337 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 518256217 QIESEIFSDPYSJT-OAHLLOKOSA-N 479.469 5.255 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nnco3)cc2)c1 518460100 FVOZDOODJJOYRK-UHFFFAOYSA-N 494.960 5.024 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21 519198985 HXKRSKUBUZSKLS-VWLOTQADSA-N 451.530 6.089 30 20 JKED N#C[C@@H](C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 520076397 JBAYGZNXIYCGLO-INIZCTEOSA-N 484.324 5.701 30 20 JKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 521711921 HFKVVRMGFAYCFO-LLVKDONJSA-N 490.242 5.264 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCc1ncc(-c2ccccc2)o1 524250007 VFPLSORIAMVQQT-UHFFFAOYSA-N 451.526 6.062 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCCC(=O)Nc3ccccc3C#N)n2Cc2ccco2)cc1 589942199 BFLMZWVHWDLAHH-UHFFFAOYSA-N 485.613 5.876 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)CC1 603650052 UXVHIYDIHXLINO-UHFFFAOYSA-N 479.993 5.582 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603758393 WIGNUSOQWOTOBL-UHFFFAOYSA-N 468.460 5.840 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccccc1F 603765912 DABOPIUSXRYQRU-HXUWFJFHSA-N 472.907 5.241 30 20 JKED CCCc1ccc([C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)cc1 604137217 PHGXYXFPUGSDBU-XMMPIXPASA-N 460.578 5.489 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccc(Br)cc2F)cc1 604486319 RJCIEFIAHDWTSC-UHFFFAOYSA-N 467.338 5.805 30 20 JKED CC(C)(C)[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 608919195 BRDZPISFRSYRDZ-LJQANCHMSA-N 475.515 5.061 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(OCc5cccc(C#N)c5)cc4C)CC3)c2c1 609079071 HWZBGUGSFYEWTQ-UHFFFAOYSA-N 492.579 6.257 30 20 JKED Cc1cccc(NC(=O)CSCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 609378655 WCESXXLEYCFAMU-UHFFFAOYSA-N 467.538 5.330 30 20 JKED CCOc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCC(=O)N1CCCCC1 609427510 GGQBLLKEXGMMCW-LJQANCHMSA-N 481.618 5.123 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCN(C(=O)c4cccc5ccccc45)C3)c2C#N)C1 609563049 IKVXRHJKFFDGAY-PKOBYXMFSA-N 457.599 5.389 30 20 JKED CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 613292828 YSKDSXUWWXCJON-QGZVFWFLSA-N 474.314 5.357 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 615497474 LBKFEIAUHWRXTG-OALUTQOASA-N 483.584 5.466 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1OC 617996448 RRKYKPDVTBBCGX-RBUKOAKNSA-N 472.614 5.651 30 20 JKED O=C(Nc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1)C1CC1 618539412 AZMCSHABSSJWLZ-QWRGUYRKSA-N 491.354 5.649 30 20 JKED C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@@H]1COc2ccccc2O1 644448795 GAFYFIWSJCRHSD-IBGZPJMESA-N 491.400 5.404 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nc2sccc2c1=O 645079654 KROUBABRWOAYNH-FQEVSTJZSA-N 463.584 5.125 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 726230523 OWYIIBLIJKXYQM-RUZDIDTESA-N 456.521 5.364 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 726321746 PMBUJGDLSRBRIU-ZFBVXUMTSA-N 465.638 5.493 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc(-c2c(F)cccc2F)cs1 726328340 IRUUGDIIEXLKER-ACBHZAAOSA-N 485.600 5.910 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C(F)(F)F)c1 726393097 LMMFUGXJPQUPLO-OXJNMPFZSA-N 493.551 5.399 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 726399755 OBYVARBTRHVFDR-KXBFYZLASA-N 493.601 5.387 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2ccco2)C1=O 726419248 DLUHLWAWKSCJEO-SHZNUGFISA-N 497.642 5.720 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccc(CC)cc2)c1 726572736 LXVCVYOKWIIHTN-UHFFFAOYSA-O 484.645 5.638 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2)[n+]2ccc(C(CC)CC)cc2)c1 726572969 SPRRTCYVCBDYPN-UHFFFAOYSA-O 462.038 6.836 30 20 JKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc(Cl)nc2)cc1 727161162 BDASTISFLMKQBT-UHFFFAOYSA-O 498.072 6.244 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1cscn1 728423446 MUPVVVUTOSYSEO-HXUWFJFHSA-N 496.017 5.137 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2csc(-c3csc(C)n3)c2)nc1 729143746 MSPLWTCBNYPEMB-UHFFFAOYSA-N 497.671 5.626 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1)c1ccccc1 729888503 GSEKXUZQWVNRRK-VWLOTQADSA-N 489.531 5.717 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 730444615 ODNSLEIOXUTPBU-RUZDIDTESA-N 498.608 5.648 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C2CCC2)c1 730458603 AVUPHENMQWQHJN-QHCPKHFHSA-N 459.571 5.361 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730460821 GFYQFJRUOOTPIX-SFHVURJKSA-N 481.927 5.872 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(OC)c1 730508209 XNAIFZFYTRJOKM-GOSISDBHSA-N 477.558 5.156 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cocn2)C1=O)Nc1ccccc1 730708601 XWQIMBUQYHJXQV-SFHVURJKSA-N 488.541 5.150 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c1 730719189 XVICBKWSYLIOHU-FQEVSTJZSA-N 468.966 5.051 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 731060093 QMCRAPJBOSPBTI-OAHLLOKOSA-N 493.635 6.215 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 731071816 RGVBPHYVEMRBSW-SFHVURJKSA-N 486.553 5.180 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCc3nccs3)C2=O)cc1 747598379 AWNNQBNQYDSXPX-IBGZPJMESA-N 485.034 5.308 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2cc(F)cc(F)c2)C1=O 748580815 XZPCEIXHHFUDIY-QHCPKHFHSA-N 495.551 5.176 30 20 JKED N#C[C@@H](C(=O)CNC(=O)CC1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 749050014 XTNOTDXNTLOPRH-INIZCTEOSA-N 450.391 5.380 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCC(F)(F)F 750396690 DZAZBLJRGGXBBZ-CQSZACIVSA-N 468.884 5.708 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2cccc(Br)c2)o1)CCCC3 751408970 AJMJCTGTGSLRPI-UHFFFAOYSA-N 454.349 5.242 30 20 JKED COc1ccc(-c2nc(SCc3csc(-c4ccccc4OC)n3)nc(O)c2C#N)cc1 824952506 CHVNVHKOCBNPJI-UHFFFAOYSA-N 462.556 5.154 30 20 JKED C[C@@H](OC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 826075085 ORRGKFCPFFKKDU-ZHRRBRCNSA-N 462.596 5.512 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3ccccn3)C2=O)cc1 837301971 NQFYEJJZVXZTCW-GAJHUEQPSA-N 492.576 5.341 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 838298357 JZHLQVUXXOWGAT-QMHKHESXSA-N 494.567 5.644 30 20 JKED N#CCCN(C(=O)COC(=O)c1occc1CSc1ccccc1)c1cccc(Cl)c1 838850567 NCIPLVYAZKLPJG-UHFFFAOYSA-N 454.935 5.329 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cccnc1Oc1ccc(Br)cc1 915514366 RUSDLEIRUIQZPN-UHFFFAOYSA-N 498.358 5.048 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CCCC2)c1 916206073 LWUIGKWWLGYCGE-OAQYLSRUSA-N 488.009 5.260 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(C)cc2)C1=O 916208634 NMDZSJOKVZOJOA-HSZRJFAPSA-N 477.561 5.303 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(C[C@H]3CCCO3)C2=O)c1 916209834 RYXUBLXRJJSJJF-UTKZUKDTSA-N 472.010 5.096 30 20 JKED COc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 916313987 SQBVZJRYMNLPFZ-UHFFFAOYSA-N 485.363 5.059 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ncnc3sccc23)cs1 916368666 UZCZVMZBQBAHAV-UHFFFAOYSA-N 462.482 5.297 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cn1 916681737 XUSMBTHAIOTKBC-DEOSSOPVSA-N 494.551 5.868 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 916910910 KMTSWGDMKDOEBY-KRWDZBQOSA-N 497.780 5.128 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1 916974149 FDYISFDYCVDALR-VYLNHAOZSA-N 475.658 5.652 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1c(C)nn(Cc2ccccc2Cl)c1Cl 917030451 WCHQMCUZAWMQIL-UHFFFAOYSA-N 487.416 5.375 30 20 JKED CCc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)cc1 917042411 FDTOBJPXMFBDTC-WMLDXEAASA-N 457.477 5.107 30 20 JKED Cc1nc2ccnn2c(C)c1CCC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917431283 BIYUANSJENRQBO-IMBGCFGXSA-N 459.619 5.080 30 20 JKED CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cc1OC 917518105 VJBQUEGKWOSXDL-YHYXMXQVSA-N 485.378 5.455 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCN(C(C)(C)C)CC1 917664386 HDOSUVKSKRARJC-QHCPKHFHSA-N 496.652 5.357 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccsc2)cc1F 917687577 SGTIECVVXYXBPI-NRFANRHFSA-N 467.591 5.034 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1ccsc1 917694042 AGCWRGAHRLZPCZ-NRFANRHFSA-N 465.600 5.226 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC(F)(F)F 917702177 RPRLPAAZLMFRAY-HXUWFJFHSA-N 482.487 5.234 30 20 JKED CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)ccc1Cl 917712568 IADOCQLIRNKIFP-UHFFFAOYSA-N 474.007 5.269 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918298888 ZGAZQZWTNYJQQX-OAQYLSRUSA-N 452.341 5.246 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 918413592 BMVFQGJNNAHFDN-DEOSSOPVSA-N 477.486 5.491 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(C)s2)nnc1-c1ccc(Cl)cc1Cl 919859066 ZFUYTLVWBAWZIT-ZDUSSCGKSA-N 467.447 5.777 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)cc1 920011050 ZBVZRRHMLOOLRS-UHFFFAOYSA-N 484.825 5.251 30 20 JKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1cccc(/C=C3\CCc4oc(C(=O)O)c(C)c4C3=O)c1)CC2 920065919 NCFLDPHLEVZLDI-JYFOCSDGSA-N 486.476 5.311 30 20 JKED N#C[C@H](C(=O)CCCOc1ccc(I)cc1)c1nc2ccccc2n1C(F)F 920112511 DACWDWQQMGJNMF-OAHLLOKOSA-N 495.267 5.071 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 920169249 RLSOQBYNXQCEIA-UIOOFZCWSA-N 494.620 5.192 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc3c(c2)CCC3)cc1 920176506 SMRVPHVJEWYGAB-VWLOTQADSA-N 498.583 5.347 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NN(C(=S)NCc2ccc(F)cc2)C(C)(C)C)cs1 920381343 QZOBDLYAJXXURY-UHFFFAOYSA-N 497.665 5.784 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1C#N 920518045 IKMPZRQRPZRYDX-UHFFFAOYSA-N 461.330 5.266 30 20 JKED COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 921035144 LYLWSHCTJZBFQG-UHFFFAOYSA-N 493.519 5.872 30 20 JKED N#Cc1ccc(CN(Cn2nc(Nc3cccc(F)c3)sc2=S)CC(F)(F)F)cc1 921188717 FWMMGROLDVCNQJ-UHFFFAOYSA-N 453.490 5.450 30 20 JKED C[C@@H](OC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)N(CCC#N)c1ccc(F)cc1 921388850 SXSZEBZHDODCEZ-VULIGXMUSA-N 466.509 5.445 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 1779274034 JPZMVTZVDZDGQZ-CLCZQPDDSA-N 485.068 5.044 30 20 JKED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCCc2ccccc2)C1 1783218234 FRBSNSYMJXZCCN-GGXMVOPNSA-N 481.681 5.168 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1 1786544463 GJCJHVHQSCZQII-YLJYHZDGSA-N 491.579 5.025 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)COc4cccc5ccccc45)cc3)CCC2)CCC1 1786677269 LTIWPTRZAFSEQO-UHFFFAOYSA-N 453.542 5.047 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4nccc5[nH]ccc45)cc3)CCC2)cc1C#N 1788466893 XHWVATLQSPUMOW-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ncccc34)CCC2)cc1 1789455361 QSMKLIOFPKGZKN-HSZRJFAPSA-N 456.590 5.398 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789457952 IDAGIBFETITHPF-ZJSXRUAMSA-N 495.664 5.536 30 20 JKED Cc1cccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)/C=N/N4CCCCC4)cc3)CCC2)c1 1789515057 YIOYANHYHMRVHW-RUMWWMSVSA-N 495.627 5.276 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(OC)c3F)cc2)CCC1 1790060389 STHNOYRSHMJDQS-NRFANRHFSA-N 466.553 5.359 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)c1 1790765803 DAVBACRTMGZMOT-SFHVURJKSA-N 466.516 5.386 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4sccc4c3O)cc2)CCC1 1790933585 HGKZROKSVWGXFG-INIZCTEOSA-N 465.575 5.156 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)CCC2)cc1 1791300534 VTLHJMWKBCISFQ-LFYBBSHMSA-N 479.527 5.535 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cc(F)ccn4)CCC3)cc2)c1 1792123184 MNXQSORXQRLMAS-IBGZPJMESA-N 470.548 5.228 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1792173610 UOMDOEKCEJGXKP-AMVVHIIESA-N 487.453 5.304 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4[N+](=O)[O-])cc3)CCC2)cc1 1792317216 BXUIGZZIYQQABE-XNTDXEJSSA-N 480.524 5.122 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)C3CCSCC3)cc2)CCC1 1792353882 WAAXLYGPLCAFQE-UHFFFAOYSA-N 456.728 5.315 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(C#N)cc1)C2)c1ccc(Cl)cc1 1793221584 JDRMPOKFKSUSCU-SFIUMABJSA-N 478.036 5.222 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(OCc3ccccc3)c(OC)c1)C2 1801637584 LAGASJCUMLZADQ-MRLUPLGUSA-N 490.644 5.057 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3scnc3c2)[C@@H]1c1cccnc1 1802499878 UGCZAVGLJKRLOG-NFBKMPQASA-N 462.619 5.003 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1802501859 COQKDOMCAYKPJA-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1803090131 GLNMDAYGNQCRSB-GBXCKJPGSA-N 462.619 5.021 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803224003 YZZIDQRKCBRVDU-FMVDIBJOSA-N 492.063 5.518 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1803560023 JMUXSKJXZPAZMM-UQBPGWFLSA-N 498.048 5.252 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1C(F)(F)F)C1CCC(C(F)(F)F)CC1 1803868324 JPNRJSYUSHDFFN-QUZOXXGXSA-N 494.451 5.465 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C1 1806063025 MIVVVEOFHGWYGQ-DEOSSOPVSA-N 466.647 5.278 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1806454078 LXRPJXSZXOQDIN-GVQBMFDGSA-N 480.612 5.103 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC4(CCN(C(=O)c5cc(C#N)ccc5F)CC4)C3)c[nH]2)cc1 1807426186 UIUUDWXRCRHBCK-UHFFFAOYSA-N 484.575 5.160 30 20 JKED CC(C)=CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1807996952 IPFKWFSHFCLXCK-RDPSFJRHSA-N 484.522 5.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1810772221 WKPXBQVOWFCZPP-KIFXHHALSA-N 496.449 5.241 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1811107827 GNTNLOZJNDFVCV-XLIONFOSSA-N 478.445 5.538 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1811418785 ASFOMUAOMCUMBG-LSYVANFTSA-N 479.024 5.143 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)CC1 1812789516 LCNVBTBSSZHEAL-LFKDDQTCSA-N 472.633 5.074 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@@H]1c1cccnc1 1812954426 HMLCJUGTGNTMSF-JJHGBTGXSA-N 485.550 5.211 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3cc(F)cc(F)c3)[nH]n2)C1 1814393868 NCDMLTJCRZCABC-JOCHJYFZSA-N 477.515 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc(F)c3)CC2)n[nH]1 1815614825 QTAKEQJPOHMFDC-JOCHJYFZSA-N 450.558 5.041 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2scnc2C2CC2)n[nH]1 1816254789 DMIOAVCNPQGENK-IBGZPJMESA-N 483.714 5.101 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213402 OVFWXGJUOZKEPX-HKUYNNGSSA-N 485.576 5.071 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)n2C)n[nH]1 1818379769 NXMFRCQQJAKWFD-MRXNPFEDSA-N 465.520 5.065 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)cc3cc[nH]c23)n[nH]1 1818610560 ZMWIQVKDVRUCSX-IFXJQAMLSA-N 484.398 5.172 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1)c1ccc(O)cc1 1818809895 JMCFFCLHBIFMHR-RQTOMXEWSA-N 474.605 5.051 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)[nH]n1 1819555667 UMCOGQXYPVVPQR-FQEVSTJZSA-N 487.608 5.028 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)[nH]n1 1819556024 PCNPQJLXTBLPRV-OAQYLSRUSA-N 461.566 5.363 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3F)n[nH]2)c(Cl)c1 1820202651 XUELGUZSWHDLLI-QFIPXVFZSA-N 490.926 5.175 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)n[nH]1 1821087961 OQOUPXNHUYEVDQ-GOSISDBHSA-N 464.463 5.067 30 20 JKED Cc1cccc(Cl)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1821144791 HWITWCPWZMLCSG-OAQYLSRUSA-N 461.953 5.057 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(Br)cc23)[nH]n1 1821921844 VSCLAWSTQJGTGP-BTYIYWSLSA-N 498.425 5.101 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)n[nH]2)cc1C#N 1822329131 LXRFWKNIJQYTDJ-VDKIKQQVSA-N 497.599 5.178 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n[nH]2)c(Cl)c1 1822330941 ZOKIUSVMVLXJSJ-MIZPHKNDSA-N 473.964 5.044 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1 1822394051 NRMDLEAGADIVNM-HXUWFJFHSA-N 461.393 5.145 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)c1 1823215852 HOTNVDJPEOCBHC-SZNDQCEHSA-N 497.933 5.588 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(C(F)(F)F)cc1F 1823294697 SJQJSRXVPOUECZ-INIZCTEOSA-N 494.411 5.606 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823850182 ZTYVMZIOFKWNPA-RPWUZVMVSA-N 489.701 5.020 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCc3ccccc3F)CC2)c1 1824166733 OHELQEVWXMMUPG-AREMUKBSSA-N 479.571 5.093 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 1824504835 GEBOGFPEBMKACS-QMWXCIFZSA-N 454.655 5.027 30 20 JKED Cc1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1824677751 ABEXGFGOZCFJJP-OAQYLSRUSA-N 456.011 5.129 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c4ccccc34)CC2)CC1 1826682951 PWTYLTAFNAIGOZ-QHCPKHFHSA-N 494.433 5.139 30 20 JKED Cc1ccccc1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827684723 PWVWSNOKYBOZRH-ZOBSEURRSA-N 478.658 5.048 30 20 JKED Cc1ccc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)ccc2n1 1827696814 FTTMRNYPEQIBJK-KSFYIVLOSA-N 495.608 5.166 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827793177 PLGPCJPCTSCNNI-SANMLTNESA-N 457.618 5.176 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)CC1 1828599350 JRJBOGOZQSQDGE-KDOFPFPSSA-N 495.508 5.215 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1828779426 YRLSNXZSNIHXAM-JPYJTQIMSA-N 499.677 5.102 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1829291962 SRJJRNWWGOQGRY-ZBLYBZFDSA-N 496.611 5.516 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1Cl 1829685410 FAJADYNRENBDHO-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C)CC1)NC(=O)OC(C)(C)C 1829946777 IIKCXRKARYMYHO-NOZRDPDXSA-N 497.680 5.088 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1 1830003557 JXYPWBQMEVNHIF-LOSJGSFVSA-N 497.680 5.006 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830049239 GUIWMUBCLGFVAN-DEOSSOPVSA-N 483.534 5.053 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2noc(-c3ccccc3)n2)CC1 1830130935 LHJWNWZULVVDIS-DQEYMECFSA-N 490.648 5.057 30 20 JKED CCCCCc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)ON=C(C)C)CC2)c1 1830417469 ZLBNAYAJNWYTEK-YIXXDRMTSA-N 483.697 5.382 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)CC1 1830516641 GRHHGCYRSAXIOI-FQEVSTJZSA-N 499.902 5.255 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830654071 MSFDFCRAPKCIQK-NRFANRHFSA-N 467.412 5.559 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1)C(F)(F)F 1831453801 LESOCSUCOKVNEY-LJQANCHMSA-N 492.460 5.066 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1832585812 IVTKURLLIFLFNK-DEOSSOPVSA-N 480.008 5.076 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C)cc3Cl)CC2)CC1 1838375915 WROYBWAQLQZSGU-JOCHJYFZSA-N 459.030 5.029 30 20 JKED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1844724268 SLLOXVHAJGTPQO-GOSISDBHSA-N 478.555 5.161 30 20 JKED CCOc1ccc(-n2c(COc3ccc(Br)cc3)nnc2SCCCC#N)cc1 9163076 PYCAKULBVNMLMK-UHFFFAOYSA-N 473.396 5.403 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173530 JDBTVKYAPDJCMM-UHFFFAOYSA-O 487.595 6.456 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc(F)cc1F 11248294 FDOOLDLDVWGBCL-UHFFFAOYSA-O 453.578 6.163 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cs1)c1ccc(F)cc1F 15188010 OGISZLVVKKLCQV-QPJJXVBHSA-N 453.297 6.309 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc(Cl)cc1 16862798 STSVDXPFYYCMFR-CYBMUJFWSA-N 464.925 5.505 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(CC)CC)cc2)cc1 22730513 YSKWFVBFTOVLGV-UHFFFAOYSA-O 465.614 6.466 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 23283311 ZLUHQPUKKRZITN-OAQYLSRUSA-N 482.613 5.374 30 20 JKED C=CCn1c(SCC(=O)NCCc2cccc(F)c2)nnc1-c1ccc(Cl)cc1Cl 24320467 AKKMZQWSPOZHOS-UHFFFAOYSA-N 465.381 5.028 30 20 JKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)o2)c1 24505671 VDIUNLVWWILZDP-UHFFFAOYSA-N 471.586 5.423 30 20 JKED C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 25438696 SIYWTVLLCRBCLE-MRXNPFEDSA-N 488.638 5.713 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)o2)cc1 104841957 OBCYIRJSYLVMEZ-UHFFFAOYSA-N 459.575 5.426 30 20 JKED Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccccc4Sc4ccccc4C#N)CC3)n2)cc1 105602378 ISHXRJXRHDSWTE-UHFFFAOYSA-N 495.608 5.026 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 108433037 QAWREFGEQMQWNM-UHFFFAOYSA-N 482.540 5.213 30 20 JKED C=CCn1c(SCc2ccc(Br)cc2F)nnc1[C@@H]1COc2ccccc2O1 115027471 BYVHGNDCSHPMHQ-SFHVURJKSA-N 462.344 5.171 30 20 JKED C[C@H](Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1)c1ccccc1 195687680 JPLYJWAWHDRQPL-NRFANRHFSA-N 463.606 7.276 30 20 JKED CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 209789524 USNMROCNAAHSKL-GDNBJRDFSA-N 468.962 5.250 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccs1 481162736 HJWZTYKHEBYDKM-NRFANRHFSA-N 465.550 5.180 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)s2)cc1OC 487289963 IDBZXJVROIBVEE-UHFFFAOYSA-N 476.583 5.307 30 20 JKED C=CCN(C(=O)c1cc2c(s1)CCCCCC2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491051177 NYWPQDPNFHHYRZ-UHFFFAOYSA-N 486.684 5.767 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(c2ccc(Cl)cc2)CCOCC1 501775435 ZKNZWBQQHYZJGK-UHFFFAOYSA-N 466.778 5.505 30 20 JKED N#Cc1cccc(C(=O)Nc2ccccc2Oc2ccccc2NC(=O)c2cccc(C#N)c2)c1 503430524 ONDMBQQNLMQWBS-UHFFFAOYSA-N 458.477 5.727 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 504859449 UKXOVCWPLPQLDC-IBGZPJMESA-N 474.424 5.105 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)cc2F)c1 509946399 SBDJCZPUKGFZDZ-XMMPIXPASA-N 465.912 5.535 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 510252837 CLYAXUASLIPURE-QGZVFWFLSA-N 477.561 5.204 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)c1 510374700 HZYYNVHASLMPMM-IBGZPJMESA-N 475.408 5.038 30 20 JKED CCCCCOc1ccc([C@@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OC 511261101 VQVSNFFWVUDEON-HXUWFJFHSA-N 465.594 5.450 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 512784539 YIEGSOKTGVPBPX-UHFFFAOYSA-N 466.975 6.074 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccc(Cl)cc1 514357665 ZSRDJTBTZWJLJN-CYBMUJFWSA-N 477.815 5.666 30 20 JKED COc1cccc(C[C@H]2CCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 516452634 DNWBOBULSMXMJK-RCZVLFRGSA-N 487.987 5.176 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 517456079 BQWLWKFRLXNWGC-SFHVURJKSA-N 471.648 5.144 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccccc1SC[C@@H](C)C#N 517461144 AJVXSCUJZJGRAU-AWEZNQCLSA-N 452.580 5.817 30 20 JKED CN(CCc1cccc2ccccc12)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517466693 HMIZPFRSQXNDKY-UHFFFAOYSA-N 485.531 5.504 30 20 JKED C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520179114 OJGLETWVEHXIOY-LJQANCHMSA-N 457.530 5.203 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2cccc(OCCCC#N)c2)cc1 520453432 YUPWNYGEKBOGPO-UHFFFAOYSA-N 466.541 5.412 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(Oc2ccccn2)cc1 520835858 XUOASYHQDVHQOQ-UHFFFAOYSA-N 473.476 5.916 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1NC(=O)c1ccco1 521264681 KERCLXLTCPHUKO-OAHLLOKOSA-N 463.465 5.732 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 523718020 VRKUQCVDTIZNQH-HXUWFJFHSA-N 490.387 5.052 30 20 JKED Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523965391 AOUKIYTXOQWBHU-JOCHJYFZSA-N 459.977 5.336 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@@H](C)c1ccc(OC(F)(F)F)cc1 524613895 MXBNAAAYYMHZMB-GJZGRUSLSA-N 454.539 6.412 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(Br)ccc1OC(F)F 558265088 UROAWDKEJIEOPI-UHFFFAOYSA-N 487.414 5.149 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)o2)cc1 590460602 SPOIEJVGJWIRAC-UHFFFAOYSA-N 454.457 5.991 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603573232 YDUCYZZCVXVKCC-ZSHCYNCHSA-N 472.454 6.349 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccccc1 603759029 RSGGCXCLVIMEEU-JOCHJYFZSA-N 454.917 5.102 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(C(=O)c4ccccc4F)CC3)cc2Cl)cc1 604090350 VYZDZCCRQSPJQA-UHFFFAOYSA-N 492.938 5.569 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1)c1ccccc1 604534759 HCVZUDYMFZMSHH-VWLOTQADSA-N 483.572 5.052 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1Cl 608850800 LMVNYUMFQASFKP-QGZVFWFLSA-N 475.353 5.221 30 20 JKED CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 608865394 LIPXSTOEZNWDRA-UHFFFAOYSA-N 462.937 5.166 30 20 JKED COc1ccc(C(=O)N[C@@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc2)cc1 608903177 GRWOGMASFGOOPH-MUUNZHRXSA-N 491.547 5.256 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062638 WRKGOZUCLPBCMB-UHFFFAOYSA-N 475.932 5.469 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1 609073322 BINWENCCIQFALK-UHFFFAOYSA-N 495.579 6.423 30 20 JKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609080334 VOLZOXSBYUNLBA-UHFFFAOYSA-N 475.980 5.285 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)s2)cc1 609146577 GYTODLJRGBJAOF-UHFFFAOYSA-N 470.558 5.067 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 609148595 RGDWSAADGVUYTF-QGZVFWFLSA-N 460.559 5.062 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)c2)cc1 609176981 CELLGUKSLGPCIQ-UHFFFAOYSA-N 453.542 5.160 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1C 609436897 YFKRNIVDCMQRLJ-IBGZPJMESA-N 481.666 5.230 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 613401539 CPWUTUOGPNERLU-IBGZPJMESA-N 458.493 6.085 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 615707221 SBMULXIAFFGQCQ-NXEZZACHSA-N 462.312 5.706 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc12 642281930 ZFTGTWURMWZJBC-CQSZACIVSA-N 452.333 5.553 30 20 JKED O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 648027180 TZWMAILNDCKTME-UHFFFAOYSA-N 484.318 6.344 30 20 JKED C=CCN(C(=O)c1cc2c(C)nn(C)c2s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 648351628 ZHTIKAMWANORCD-UHFFFAOYSA-N 463.415 6.206 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2)cc1F 726412076 PPDJJKZBJFMBBM-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(C2CC2)C1=O 726421516 NLEMSWCCWYLWCL-PRLFLVJASA-N 457.621 5.089 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(NC(=S)Nc3ccc(C#N)c(Cl)c3)ccc2C)cc1 726434746 FXXPFEVOVNDELL-UHFFFAOYSA-N 487.006 5.138 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)[n+]2ccc(C)cc2)c1 726572583 CKDQEMOEXGUMPU-UHFFFAOYSA-O 463.582 6.379 30 20 JKED C[C@H](OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)c1cccc(C#N)c1 727639842 TUKHWFKBDUZXGL-JKSUJKDBSA-N 475.595 5.862 30 20 JKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1sc(-c2ccc(C)cc2)nc1C 727648294 BMLFWGOGEGAYSO-UHFFFAOYSA-N 489.645 5.788 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 727751308 OEMBSVLGPZGBSJ-DEOSSOPVSA-N 457.530 5.607 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 728006715 ZDSBSHVSOAGMCR-UHFFFAOYSA-N 498.004 5.072 30 20 JKED COc1ccc(OCc2nn(CN(C)[C@@H](C)CC#N)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 728902161 JCMDMYIZWFJGAY-INIZCTEOSA-N 491.539 5.201 30 20 JKED COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2S[C@H](C)C(=O)N(C)CCC#N)c1 729235400 JVBXNLDFNBDILV-GXDFBKAQSA-N 490.629 5.056 30 20 JKED CCOc1cc(/C=C(/C(=O)c2cccc(OC)c2)c2ncc[nH]2)cc(Br)c1OC 729240533 SMYCGWZVNCRGHU-YVLHZVERSA-N 457.324 5.012 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1OC 729427260 ICAJVCZZAFOESN-SFHVURJKSA-N 467.865 5.052 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c1=S 729471545 DIAUYILHJQSSFC-UHFFFAOYSA-N 466.010 5.293 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCCc2c[nH]c3ccccc23)C1=O)NC1CC1 730719483 FXJBASRJBYKACS-JOCHJYFZSA-N 481.021 5.054 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)c1 730944558 CLSBSPTUFSPCQJ-BVMXAEAGSA-N 492.670 5.911 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnn1-c1ccc(OC(C)C)cc1 731326976 VLQQSFDZVOXGMV-RUZDIDTESA-N 451.530 5.271 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)N(CCC#N)c1ccccc1 744596253 KBVVCXLLNCCNRZ-AWEZNQCLSA-N 474.369 5.609 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 749794109 QGVWKRFKECQNET-HSZRJFAPSA-N 487.606 5.765 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nc2cc(Cl)ccc2c1=O 777512583 NYOXYUCPXLFHGB-QGZVFWFLSA-N 483.037 5.346 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N([C@H](C)c2cccnc2)C1=O 837638975 DIXXLXXZWGZWPG-NTKDMRAZSA-N 488.613 5.429 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 914541362 QMASRIMRSXXDND-WZONZLPQSA-N 493.032 5.443 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 915102292 VQYRFRJDRYOONA-PXNSSMCTSA-N 467.953 5.331 30 20 JKED N#C[C@@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 915104467 BJHWVKVEJGTMKB-AWEZNQCLSA-N 464.490 5.565 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1 916051026 JTLXRRNUMMIQHA-JOCHJYFZSA-N 477.362 5.255 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C[C@H]2CCCO2)c1 916208130 UMBUHLKXDFUJFW-XLIONFOSSA-N 491.535 5.153 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)cc1 916215397 VCSVLOXUCVSEAJ-HXUWFJFHSA-N 493.551 5.865 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCCC2)cc1 916215701 XXZSBWQZOQXDDJ-JOCHJYFZSA-N 451.592 5.215 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CC3)C2=O)c1 916217005 BDEZJHHRTAJOBV-LJQANCHMSA-N 461.509 5.445 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 916277673 OTCCDZNCQCEHDR-UHFFFAOYSA-N 481.921 5.479 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)nnc1-c1cccnc1 916664816 JWMKZSYNKSAFSL-UHFFFAOYSA-N 455.547 5.672 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916886116 DXTGVGQEULTSBE-KRWDZBQOSA-N 471.510 5.276 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 916912772 KFVRAOPUBGPWHD-QHCPKHFHSA-N 454.555 5.150 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cc1 916953942 FKSLIMHIEQUJCB-FDDCHVKYSA-N 475.618 5.344 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cnn(-c3ccc(Br)cc3)c2)S1 917145625 UAOHTOIBNFOAQU-ZDLGFXPLSA-N 453.365 5.143 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 917664747 ONRDAKZFOSZJFE-LJQANCHMSA-N 479.524 5.011 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CC(F)(F)F)c1 917708834 KAYMELAWNUOFRK-HXUWFJFHSA-N 492.567 5.399 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(SC(F)F)cc2)s1 920171246 RNJAHSYKVDTQCW-SCLBCKFNSA-N 495.642 5.733 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)C(=O)Nc4ccc([C@H](C#N)c5ccccc5)cc4)CC3)c2c1 920199719 BFMCCLDKKXHZJK-AREMUKBSSA-N 492.579 5.177 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3c(C)noc3C)C2=O)c1 920353365 HXUUULDKLDMYAD-HSZRJFAPSA-N 492.601 5.077 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920356573 QGBHPVXRESVEPQ-OAQYLSRUSA-N 482.993 5.359 30 20 JKED Cc1nn(C(F)F)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 920875139 POKGZEBKISDDEA-CQSZACIVSA-N 455.317 5.744 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)c3c(C)noc3n2)cc1 928973960 CIIZOFRXTJYERH-HXUWFJFHSA-N 482.540 5.307 30 20 JKED N#Cc1ccc(SCc2nc(O)c3cc(Br)cc(Br)c3n2)cc1 1472977964 JAXCKISZUPBODO-UHFFFAOYSA-N 451.143 5.024 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](CC3CCCC3)NC(=O)OC(C)(C)C)cc2)CCC1 1786180070 PTDVWZKBYWIKMY-QFIPXVFZSA-N 469.626 5.170 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1786372188 ZUTCGYQQLKUIHT-SFHVURJKSA-N 461.537 5.160 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ccc3F)CCC2)cc1 1786676607 YNWRXOYHQZIOPT-UHFFFAOYSA-N 477.399 5.255 30 20 JKED Cc1ccc2[nH]cc(CC(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)c2c1 1786781377 SIIDVHSZQIBIIT-UHFFFAOYSA-N 492.579 5.104 30 20 JKED CC(C)c1csc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)n1 1787003644 LPQCBLBIEKUFSY-UHFFFAOYSA-N 458.587 5.129 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ncn(C)c3C(F)(F)F)cc2)CCC1 1788767699 VCUMODSHOREUQU-UHFFFAOYSA-N 462.516 5.179 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)c1 1790711255 SYABCVSISYYJDT-FQEVSTJZSA-N 490.563 6.030 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)[C@H]5C[C@H]5c5ccc(F)cc5)CCC4)cc3)c2c1 1790834681 RQUCDFCVYFJTNR-GOTSBHOMSA-N 493.542 5.125 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OC(C)(C)C4)CCC2)cc1)C(F)(F)F 1791303178 NOOYPAPGDZIIAE-UHFFFAOYSA-N 458.480 5.266 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792207278 CFUZHFYHUCAWQP-NHCUHLMSSA-N 483.653 5.370 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(Br)ccc3Cl)CCC2)cc1 1792267182 KRPWKHJSKSJZHG-UHFFFAOYSA-N 473.798 5.193 30 20 JKED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1792708353 PVQCHCITWGLYHE-KOUNCHBCSA-N 467.569 5.434 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccnc3ccc(Br)cc13)C2 1798340108 MUQWZCYOMOKWTD-YRPNKDGESA-N 482.422 5.018 30 20 JKED COc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(CC#N)cc2)C3)cc2ccccc2c1Cl 1799336390 ZZRXYTGJZHPBSG-KOUNCHBCSA-N 487.987 5.133 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C#N)c1Cl)C2 1800790173 ZAFXPGAWLRVEJI-MUJYYYPQSA-N 476.791 5.393 30 20 JKED CCCCCc1ccc(/C=C/C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)cc1 1802995858 PPVINKHHNVZSPH-HXWPOMFWSA-N 495.627 5.047 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 1804021966 FCHDKFBOSFTFPS-DTUBNOLGSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1804164763 UGHSFOKDDIEIKK-UFHPHHKVSA-N 485.628 5.312 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4c[nH]c5c(Cl)cccc45)CC3)C2)cc1 1804762610 FDAOXTQCRUPVKS-UHFFFAOYSA-N 489.019 5.171 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)C1 1806063960 SBEWOEBUWCVRDK-GOSISDBHSA-N 494.982 5.297 30 20 JKED Cc1ccc(SCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1809476263 FXJMFYWBPVUCTE-HPKXWHFBSA-N 498.652 5.129 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@H]1c1cccnc1 1811272885 JFHOKKGFIGBXGY-QDPGVEIFSA-N 494.595 5.336 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1 1811366992 JWTHOEWXTWCFAH-AHKZPQOWSA-N 474.649 5.464 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812303335 XZIYGXOPEDCICC-JIPXPUAJSA-N 465.553 5.104 30 20 JKED C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(CCCC)cc3)cc2)[C@H]1c1cccnc1 1812529707 DNJFPPRQKTZIMG-PXJZQJOASA-N 465.597 5.044 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1812671610 JJWGWOFZKXOQEX-AOYPEHQESA-N 483.603 5.274 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1812902080 OCMVCNYMLSGSMR-LYPIBBCQSA-N 481.757 5.355 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ncccc4c3)n[nH]2)c1Cl 1815476129 FQPVINFNBJWIGB-QHCPKHFHSA-N 498.974 5.032 30 20 JKED Cc1ccc(C)c(OCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1815648624 CVSWWRRMHZTVME-YKSBVNFPSA-N 485.588 5.039 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)[nH]n1 1819308833 FDOVFQOTOYRJRW-AUSIDOKSSA-N 493.011 5.323 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c(C(F)(F)F)o1 1821178499 YINCFHINRAMZCJ-LJQANCHMSA-N 485.466 5.016 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)[nH]n1 1821926848 XMYLIYFSOICPMK-PGRDOPGGSA-N 485.028 5.016 30 20 JKED Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)o1 1822908615 IVJIWMGVNARVBK-HHHXNRCGSA-N 492.579 5.260 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)cc1 1823684295 VQOXTBLXADLGCS-MHZLTWQESA-N 493.598 5.022 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)CC1 1823997377 HRKYTNKSDAOIAL-SANMLTNESA-N 466.666 5.101 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)n1 1824051218 GQCJAJDEWNIQJM-DEOSSOPVSA-N 478.662 5.004 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1824385411 AVFRXSOZFYQEAF-AMGIVPHBSA-N 489.685 5.291 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1824539249 MVBIGQIOJPEWOW-UKILVPOCSA-N 483.653 5.075 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)CC2)c(Cl)c1 1824861048 QYWHANHPXIYFCZ-RPWUZVMVSA-N 467.972 5.156 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1824960437 AVKBNPROGIRNSZ-AREMUKBSSA-N 480.649 5.645 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826779848 ZLFZPNVXLYQHFM-YQOCYVMFSA-N 495.667 5.036 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827334298 LGUPCGPMDDUPEC-MHZLTWQESA-N 471.645 5.484 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(Br)nc2C)CC1 1827972591 LJHGJWHBMMIOIS-RTBURBONSA-N 494.499 5.216 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1)c1ccccc1 1828204755 LRUPUIQOFCBZNN-LOYHVIPDSA-N 493.651 5.665 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)C1 1828509118 WLJQHFIZAYTDAU-HSZRJFAPSA-N 473.539 5.386 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c1Cl 1828676531 WDOFJTDXZWTDEU-JOCHJYFZSA-N 493.032 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1 1828827260 TZPYMECGOBHLMM-QUCCMNQESA-N 464.437 5.390 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)cc1 1828999581 XILNPISDQZDMHU-PUFQGMHOSA-N 497.639 5.607 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(-c3cccnc3)n2)CC1 1829066638 OQMKRPPNTCMBSB-HSZRJFAPSA-N 480.678 5.431 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nn(CC)c3ccccc23)CC1 1829067804 XXZOYUASIIYEHF-HSZRJFAPSA-N 464.654 5.282 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)n3)CC2)c1 1829242526 FWFDWODBWGKVFP-MBSDFSHPSA-N 498.549 5.275 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829563157 LYZSOPOVWRMOTD-AREMUKBSSA-N 467.613 5.253 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc3cnccc23)CC1)c1ccccc1 1829593728 UGDRRTICDUBWMH-LMSSTIIKSA-N 494.639 5.060 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3C)CC2)c(C#N)c1 1830285425 NHNHMCKBQIICBA-AREMUKBSSA-N 494.035 5.005 30 20 JKED COc1ccc(C2(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)CCC2)cc1 1830632490 OXFOABJSYNMNRS-NDEPHWFRSA-N 499.655 5.116 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830722225 FRYKHOJUDPIZOL-XMMPIXPASA-N 496.055 5.099 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 1831716889 KELDEPWTGSWCBP-QODFHFCMSA-N 487.482 5.385 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CCC1 1832489910 IPMMIKCEPVAHNB-QFIPXVFZSA-N 456.030 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1832634123 HXIHDWLZBWPRGU-NBGIEHNGSA-N 474.649 5.486 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4cc(C)[nH]c34)CC2)CC1 1838231950 QDCQMQRBRFKNLF-UHFFFAOYSA-N 465.638 5.081 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CC2(CCCN2C(=O)c2ccc(F)cc2C(F)(F)F)C1 1846885060 OIGJMFAFKKXNQU-UHFFFAOYSA-N 492.366 5.133 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)c(C)c1 10168907 SFQCPPVVQPOXEC-UHFFFAOYSA-O 455.647 6.009 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174128 MVDXPQWHDDERIP-UHFFFAOYSA-O 481.466 5.764 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083300 KAVVKPYYOKGHBA-UHFFFAOYSA-O 469.671 7.054 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 11171711 WYKZXQZJSWLZHJ-UHFFFAOYSA-O 475.634 6.433 30 20 JKED COc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C#N)nnc2-c2ccccc2)cc1 11197134 IQCQHKRUWMEEHM-UHFFFAOYSA-N 475.961 5.199 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3)o2)nc2scc(-c3cccs3)c2c1=O 11381108 FPKACRQLXBUCAB-UHFFFAOYSA-N 464.597 5.715 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C#N 12575814 HHHNIOSKRRDWIX-JTQLQIEISA-N 483.899 5.409 30 20 JKED C=CCN(C(=O)c1cccc(I)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724222 KWYZATIFPYELTR-UHFFFAOYSA-N 491.310 5.156 30 20 JKED COc1ccc2c(c1)c(CC(=O)Nc1ccccc1C#N)c(C)n2C(=O)c1ccc(Cl)cc1 15311850 YACSCGSEIBIMIM-UHFFFAOYSA-N 457.917 5.353 30 20 JKED COc1cc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(F)F 16385110 FWEYVUANHFZXSX-PKNBQFBNSA-N 457.860 6.098 30 20 JKED C=CCNC(=O)[C@H](C)Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 16830209 BFOASZMUWOXOME-AWEZNQCLSA-N 450.951 5.388 30 20 JKED C[C@@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16933861 FCNRMNVEKKPZHS-OAHLLOKOSA-N 499.683 5.409 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1cccc(C)c1 18324706 LOBKGRSOSPLMNG-HNNXBMFYSA-N 475.599 5.851 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 22695277 RHZLTMCUUSRKSQ-UHFFFAOYSA-O 464.463 6.654 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)nnc1[C@H]1COc2ccccc2O1 23592353 FVPPHPVTBHIFHO-YADARESESA-N 492.645 5.145 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23603505 GJGGJTRDHODRTO-UHFFFAOYSA-O 489.064 6.523 30 20 JKED CN(C(=O)CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1)C1(C#N)CCCCC1 29848052 OZFRZTJUDMLMMB-UHFFFAOYSA-N 496.036 5.277 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29955678 YYIZZCVLZOMBDH-OYHNWAKOSA-N 464.447 5.126 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Oc2cc(C)ccc2C(C)C)c(NC(=O)CSCC#N)c1 33155715 YDRSZKVOWNPPDJ-UHFFFAOYSA-N 489.663 5.137 30 20 JKED C=CCn1c(S[C@@H]2CCCCNC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 58510745 XRIRMMBLUFZVQE-XMMPIXPASA-N 469.614 5.416 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Br)c4c(c3)OCO4)c2)cc1 195620296 OVLDMABVCNFEDZ-UHFFFAOYSA-N 465.303 5.075 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)nnc1-c1ccccc1F 195677211 ZLBYMOKNVHZGQC-QHCPKHFHSA-N 480.609 5.515 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)cc1 302773262 GNEYXIFTWSUHPX-HNNXBMFYSA-N 493.976 5.239 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1)c1ccccc1 409564005 VCRUBTKBVBQFOJ-AREMUKBSSA-N 482.584 5.657 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 490650275 QERVJTFLWMWMQS-UHFFFAOYSA-N 466.516 5.397 30 20 JKED N#C[C@@H](C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(C(F)(F)F)cn1 501315974 VBDMNIZZWXTPLR-OAHLLOKOSA-N 465.357 5.067 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc1C 501868525 UEIJBMRGAKZLPT-SFHVURJKSA-N 465.395 5.204 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)[C@@H](C#N)c4cc(C)nc(C)n4)sc3[nH]2)c1 503573034 QWXIYQQNKQQXDA-KRWDZBQOSA-N 489.626 5.099 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 508243887 TYGPEZDLNOAUTB-UHFFFAOYSA-N 480.524 5.655 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)cc1 511002703 XNBANLDNZYSUKE-FQEVSTJZSA-N 467.013 5.065 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccccc2NC(=O)c2cccc(Br)c2)nc2ccccc21 513655223 PBEXVUFCABMBAU-GOSISDBHSA-N 473.330 5.078 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(OC)c1 516705036 FABVONHEYYXISY-UHFFFAOYSA-N 481.596 6.094 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-])c1ccccn1 516710795 TYHGQOJGIPCKPX-GDBMZVCRSA-N 476.443 5.398 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 516714230 VTSBJQUCPLHQQW-OAQYLSRUSA-N 479.521 5.692 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 518128000 LTDYZEUAWSOYBS-GOSISDBHSA-N 486.626 5.454 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4cccs4)nc4c3c(C)nn4C)n2)cc1 518516545 JYSRIRHFUHLGDY-SFHVURJKSA-N 485.594 5.627 30 20 JKED CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518673753 FNOWMGWDRSTGCH-HNNXBMFYSA-N 479.524 5.314 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 518801745 BPAKPIQUARXIOH-UHFFFAOYSA-N 478.017 6.238 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)n2)cc1 519481299 SOQBYAAUHKAJJP-OAHLLOKOSA-N 481.389 6.602 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1[N+](=O)[O-] 521326957 XLCVYTYANNTDLS-UHFFFAOYSA-N 488.504 5.072 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1 523881954 ANCHQEDVJKIOCS-UHFFFAOYSA-N 493.542 5.257 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 524383758 UMTXLGCTBIRLHV-FQEVSTJZSA-N 496.567 6.110 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)o2)cc1 524432474 HTLJWQRVICBCHK-IBGZPJMESA-N 494.359 6.651 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)cc2)c1 553680489 OTBGUVKZAJUJSD-HSZRJFAPSA-N 477.467 5.084 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cc2)c1 561420709 JOBTUAMFAPFLPZ-UHFFFAOYSA-N 487.943 5.064 30 20 JKED O=C(NCCc1coc(-c2ccc(F)cc2)n1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 588279893 KQUYNQKECGRYKP-STQMWFEESA-N 467.385 5.232 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 590880765 WILXAFGRLRAXDB-GOSISDBHSA-N 473.520 6.067 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4nc5ccccc5s4)CC3)s2)cc1 603650133 PUMNBKQRLZPHDG-UHFFFAOYSA-N 459.600 5.627 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)cn2)cc1 603763538 DXWCPURJHCSQLS-GOSISDBHSA-N 495.366 5.543 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3[nH]c4ccc(Br)cc4c3Cl)cn2)cc1 604242333 AKBLXGMJQIQIGW-UHFFFAOYSA-N 467.710 5.895 30 20 JKED N#Cc1c[nH]c2ccc(OC(F)F)cc2c1=N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604303518 JQAUHSACLFJQQD-GDNZZTSVSA-N 453.333 5.451 30 20 JKED COc1cccc(CN(CC(C)C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 604500716 ZFAOMOLCDZCPLR-UHFFFAOYSA-N 467.620 5.401 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cccc(C(F)(F)F)c1 608924183 YXWFZRBRYPTIOV-NRFANRHFSA-N 496.489 5.606 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)cc2Cl)c1 609062998 OGDDUYUJKVOFME-XMMPIXPASA-N 475.932 5.160 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cs2)cc1 609378360 DUAGLNHFGXOMSX-UHFFFAOYSA-N 463.506 6.096 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 613319312 CBCIVJVDXQAYJX-NRFANRHFSA-N 457.942 6.206 30 20 JKED C=CCOc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 613718020 MLTVYRDTPSWDMN-IBGZPJMESA-N 463.361 5.200 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)nnc1-c1ccncc1 613906582 NVRIZESKKQZTHD-UHFFFAOYSA-N 483.022 5.342 30 20 JKED N#C[C@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc(-c2c(F)cccc2F)cs1 620304499 GRXNTGOSZRHXPB-GFCCVEGCSA-N 459.271 6.087 30 20 JKED COc1cc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCc1ccc(F)cc1 642196191 QVSRUFQIQIUVKJ-DZFIZOCASA-N 479.436 6.412 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)nnc1-c1ccc(Cl)cc1 643186478 UAXHOIKAIKVUHJ-INIZCTEOSA-N 487.025 5.080 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CC[C@@H](C)OC)C2=O)cc1Cl 726397263 HILKOUOOMGOMKS-IIBYNOLFSA-N 490.025 5.042 30 20 JKED COc1cc([C@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1OCc1ccncc1 726467514 AVVUVDNECXWILA-HNNXBMFYSA-N 452.967 5.242 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)n2ccc(=[N+](C)C)cc2)c1 726572680 IQNANBBTFJCAIL-UHFFFAOYSA-O 469.417 5.131 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 728181715 YGCBZMSIXDJLSH-UHFFFAOYSA-N 469.532 5.593 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc23)n1 728652961 OJZCDTFEHGZYDK-OAQYLSRUSA-N 455.539 5.317 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 728777663 MIWQISSWMXTPCK-IBGZPJMESA-N 458.946 5.133 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c(C(F)(F)F)nc4ccccc43)n2)cc1 729892641 FOSVSAKRTRZENT-OAHLLOKOSA-N 456.449 5.064 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 730444399 WWLVORONXCQMHC-RUZDIDTESA-N 498.608 5.648 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(C3CCC3)C2=O)cc1Cl 730460584 BSOATHMKAIESPY-IBGZPJMESA-N 479.936 5.140 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc3ccccc3n1C(F)F)O[C@H](C)C2 730690432 SZLCUAFAHFFRQE-HUHSQHJXSA-N 451.473 5.133 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1F 730710320 IQCPHNOTCGFWIY-JOCHJYFZSA-N 492.507 5.267 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCOCC2CC2)C1=O)Nc1ccccc1C(F)(F)F 730944785 ZXAQOZCPBGHTRH-FQEVSTJZSA-N 491.535 5.092 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 731030982 NSSDGYUVBPPKJB-BAGYTPMASA-N 486.682 5.131 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(Cl)cc2)cc1 731307057 ZXDOALNSZSHXJC-JOCHJYFZSA-N 495.988 5.215 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 743524976 NNGDCAVLWYHFDX-IVZQSRNASA-N 498.530 5.529 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCc2nccs2)c1 747601788 HNILPVOKJZADGU-HXUWFJFHSA-N 499.061 5.616 30 20 JKED CC[C@H](C)n1c(SCC(=O)O[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 750254333 AMKWNTUJWGVXGJ-JKSUJKDBSA-N 498.008 5.104 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 750690580 MYINNWLKYGUAAE-FQRUVTKNSA-N 467.573 5.091 30 20 JKED C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 769674337 ULLICKHHQUAMKH-FPAJZGIOSA-N 450.318 5.150 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)n2CC(C)C)cc1 828709048 WFURVELLCGPQLY-HXUWFJFHSA-N 477.634 5.346 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1ccc(F)c(Cl)c1 837302041 PTJYRUSLCRNBHH-OAHLLOKOSA-N 477.842 5.141 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2cccs2)c1 837348030 JOEGONKHZZHAQP-NRFANRHFSA-N 483.590 5.099 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N([C@H](C)c3cccnc3)C2=O)c1 837417961 AIXYJWLWVXWBDB-PXDATVDWSA-N 486.641 6.037 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 837535408 DRCPLMUFTRPWGF-CLOONOSVSA-N 480.593 5.956 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 837786734 DVWABMHHAKFQSJ-YCRPNKLZSA-N 482.968 5.596 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(Cl)c1 901414477 GLNREPXWUDPZEV-XMMPIXPASA-N 473.001 5.869 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 914502478 VAJLHCNOLFVDAI-UHFFFAOYSA-N 499.995 5.227 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)Cc1cccs1 914690515 XYHNPLZYUYJBCB-MBSDFSHPSA-N 493.654 5.026 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H](C)Cc3ccco3)C2=O)c1 914690954 JUKXUJSQDHVNGZ-AOMKIAJQSA-N 481.549 5.019 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cccc(NC(=O)c4ccco4)c3)n2)cc1 915100476 RVGVTVRRXNBUJZ-FQEVSTJZSA-N 457.511 5.219 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 915134715 VUJPGLUMGLBMKV-UHFFFAOYSA-N 495.992 5.248 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccco2)C1=O 916206340 NQWNYNIGZBDDEB-OAQYLSRUSA-N 483.977 5.411 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1C 916206405 YLACACUVLDTCNO-HXUWFJFHSA-N 493.551 5.319 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(SC(F)F)cc1 916213278 AHXLAGOGTBCWBL-LJQANCHMSA-N 493.601 5.307 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2C[C@H]2CCCO2)cc1 916214294 LUUJSUFQDYSSHC-QPPBQGQZSA-N 495.645 5.177 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916903350 RHZIGZXMMGOZSI-FQEVSTJZSA-N 483.351 5.851 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCCC(C)C 916915898 KTMKTHMHJCAQJP-FQEVSTJZSA-N 464.949 5.888 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944997 PTEFBIFGIBTHPY-CQSZACIVSA-N 462.314 5.170 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cs2)cc1OC 916973986 BSXROMFXGWRTQL-LJQANCHMSA-N 475.595 5.678 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(Cl)ccc2Cl)cc1 917613056 KBDOPIXIUXHTKC-UHFFFAOYSA-O 455.390 6.038 30 20 JKED CSc1cc(-c2csc(=Nc3ccccc3C#N)n2Cc2ccnc(C)n2)ccc1NC(C)=O 917647029 RENSMFYBYOQMHL-UHFFFAOYSA-N 486.626 5.148 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CC(F)(F)F)C2=O)cc1 917701016 PTXYFIFCGIKIQX-FQEVSTJZSA-N 471.504 5.671 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2C#N)c1 917702189 DDJFIDVCIXYCKG-VWLOTQADSA-N 498.608 5.344 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 920106134 LCMVMRGYJLAGSK-AWEZNQCLSA-N 478.426 5.692 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc2cc(Cl)ccc2s1 920113427 WQCZUYACPIPLTM-CQSZACIVSA-N 486.778 6.176 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)n2)cc1 920143160 UFAVXIZYUOIQKL-QHCPKHFHSA-N 497.963 5.821 30 20 JKED CC(C)(C)c1ccc(N2CCC(NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 920198459 YOVZCURIDCQVDP-NDEPHWFRSA-N 494.639 5.363 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 928285503 RVALBPKFFZAZKH-QGZVFWFLSA-N 478.574 5.094 30 20 JKED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(C5CCCCC5)c(C(F)(F)F)c4)C3)C2)C1 1780171117 QVVGFVFMCOFTIS-AREMUKBSSA-N 490.566 5.163 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccc(C(F)(F)F)cc5n4)CCC3)cc2)C1 1785810490 VGIRFMJAPBJBEG-UHFFFAOYSA-N 468.479 5.067 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)CCC1 1786200961 DAQQWCKTABAQED-HHHXNRCGSA-N 488.628 5.951 30 20 JKED Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)cc1 1786308927 VQXICRZTRVHGOM-XMSQKQJNSA-N 497.661 5.013 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(OC)c3)CCC2)cc1 1786371882 PRSSOKNLSKMDID-HXUWFJFHSA-N 485.584 5.096 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)CCC2)cc1 1786373435 DPLHCVDDMKLANE-MRXNPFEDSA-N 476.495 5.053 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CNc4ccccc4C3)CCC2)cc1 1786391690 QWVXMNYINALAKL-DFBJGRDBSA-N 465.663 5.140 30 20 JKED COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)CC1 1786550480 KXDYQISMLVMUBS-ACRUOGEOSA-N 487.600 5.041 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3cccc(C)c3)cc2)CCC1 1787600808 HWEOWUQZLFJCMB-XMMPIXPASA-N 491.632 5.661 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312648 NUEPSEPRAHRGEJ-HNNXBMFYSA-N 469.994 5.289 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5n[nH]cc5c4)cc3)CCC2)cc1C#N 1788437163 FKWCUSAXFCNCLA-UHFFFAOYSA-N 493.567 5.283 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3OC(C)(C)CC4)cc2)CCC1 1788496688 RPURTOJEVZXDES-LJQANCHMSA-N 477.605 5.339 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@H]3CCCCC3(F)F)CCC2)cc1 1788649831 XXTAYHFIKNTPQW-TZZQJPOUSA-N 472.557 5.447 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnnc5ccccc45)cc3)CCC2)c1Cl 1788959624 XSTRFTLBOGMIQR-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(F)F)cn3)CCC2)cc1 1789453128 MRBFIJXHEFBUIX-FQEVSTJZSA-N 455.505 5.199 30 20 JKED Cc1cccc(CC(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)n1 1789507533 GQHHIXKMGFNKQQ-UHFFFAOYSA-N 461.682 5.118 30 20 JKED CC(C)[C@H](C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1)c1ccc(F)cc1 1789578285 NJOHZLPJWIZGGD-FLANDWEYSA-N 475.564 5.412 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4[nH]cnc4-c4cccnc4)CCC3)cc2)c1Cl 1790082872 SVIWYLQOWVYYCG-UHFFFAOYSA-N 496.958 5.058 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc([N+](=O)[O-])ccc5s4)CCC3)cc2)c1 1790148864 MOCLNSHNYMFRPU-UHFFFAOYSA-N 485.525 5.071 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CNc4ccccc4C)CCC3)cc2)c1 1790795048 QZSUBKMISANCCT-UHFFFAOYSA-N 452.558 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(O)nn4)cc3)cc2)CCC1 1790811985 ODGPOEOTQLLMDX-UHFFFAOYSA-N 484.600 5.589 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)CCC1 1790815010 KULCRTGCIKFYJH-UHFFFAOYSA-N 493.510 5.491 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)cc2)CCC1)c1ccccc1 1791089343 PJJFBXRIESFRAN-CXSMSNRLSA-N 456.611 5.193 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2)CCC1 1791522940 KAQYDKIYDILZKM-UHFFFAOYSA-N 465.575 5.015 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791585002 UFDVVFSLXMKECW-PKTZIBPZSA-N 481.637 5.008 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1792173279 FASCMIXIPXKTLE-UHFFFAOYSA-N 492.469 5.102 30 20 JKED CC(C)n1cc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)c(C(F)(F)F)c1 1792230415 KWJCKSWJUQFNMB-UHFFFAOYSA-N 472.511 5.529 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3sccc3s1)C2)c1ccc(O)cc1 1802424395 ULWLUWJXTXLBAK-YSTOQKLRSA-N 478.639 5.117 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1802501044 QTGWTWCJVRNPNI-NBGIEHNGSA-N 491.035 5.595 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1803093084 OSPDWQNYMDUQPY-WZONZLPQSA-N 473.951 5.101 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1804168521 PKCZAHDIMFQWHL-VKRWFFHBSA-N 491.701 5.453 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1805679516 ZUOFOJLXHLUKNI-QPPBQGQZSA-N 465.638 5.593 30 20 JKED O=C(CCCC(F)(F)F)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)C1 1806547167 AARIPCZPMMNXKY-UHFFFAOYSA-N 482.440 5.422 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1 1808047758 OENQGEWGHYNERG-NRFANRHFSA-N 496.611 5.436 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1 1808389431 LWVUCMKQUBBPCS-FQEVSTJZSA-N 475.633 5.671 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809213008 PTQHXTRANSKTLP-OXJNMPFZSA-N 489.975 5.481 30 20 JKED C=CCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810401273 NBJNBJJLZFFFHV-UHFFFAOYSA-N 453.586 5.323 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1812668833 XTKDDIFTNISBSP-AUSIDOKSSA-N 499.945 5.526 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813955956 ZLFXSTNAAAETLT-KWTBFXGESA-N 453.586 5.280 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)[nH]n1 1814444123 UJZYRMIOSSUHFR-RJWMVNQGSA-N 491.680 5.524 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c1 1814735551 WCBCRKNMMDXKPY-QFIPXVFZSA-N 479.943 5.013 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1)c1ccccc1 1814931908 SQGFFFFKOCJELT-ILBGXUMGSA-N 455.562 5.027 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(Br)ccc2F)n[nH]1 1815186714 HGLDNAZDOIPNKP-QRWLVFNGSA-N 491.405 5.148 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(Cn3ccnc3)cc2)n[nH]1 1815798439 JOQFAAUEDQAZIM-NYUHFOLESA-N 498.631 5.128 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)[nH]n1 1819302090 ZPHQSRTXXIESSU-KBXCAEBGSA-N 462.381 5.186 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)[nH]n1)c1ccccc1 1819519682 XHRUJGAYZXICFQ-AHWVRZQESA-N 483.616 5.179 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccccc4c(Cl)c3OC)n[nH]2)C1 1820236057 VBOTTZSQGXUCRJ-OAQYLSRUSA-N 478.980 5.497 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2F)n[nH]1 1820416572 PIKPPWJUIARDFJ-OAQYLSRUSA-N 472.612 5.045 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)[nH]n2)cc1 1821179029 NZDIPGZTDBJODW-GZNCHQMQSA-N 487.526 5.150 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c(Cl)c1 1821274293 BVSASXWYKZBDKO-HXUWFJFHSA-N 486.334 5.347 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)c1 1821275865 TYDNCOODYKOQHU-FQEVSTJZSA-N 491.523 5.394 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523064 PVSHSMUXMVYDIW-YKSBVNFPSA-N 491.617 5.411 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[nH]n1 1822582691 UHHLGOURCGIIFW-PGRDOPGGSA-N 488.554 5.504 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1822584786 BMMFFICKSIFBMT-LJQANCHMSA-N 480.918 5.581 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(Cl)c1 1823187512 FSXPFAZBUNUVSJ-HXOBKFHXSA-N 475.980 5.618 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1 1823379120 MVTJURODQKXJGP-HSZRJFAPSA-N 485.588 5.106 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1823812654 USIVPSAFGXZSGF-LJAQVGFWSA-N 492.623 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823850184 ZTYVMZIOFKWNPA-ZEQRLZLVSA-N 489.701 5.020 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)C(C)(C)C#N)CC3)c2c1 1823886080 SAILRTJRRAJMQX-QHCPKHFHSA-N 493.648 5.423 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1ccc(Cl)cc1 1824249564 VTKOCQGERDNXSJ-ZEQRLZLVSA-N 470.057 5.393 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1824541522 DKAGMXBSFZGBHR-XZOQPEGZSA-N 474.070 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1 1824556239 SAFHFKHMFHTVNB-XMMPIXPASA-N 479.665 5.017 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1)C(F)(F)F 1825951690 XFZVFBIFZWGGLU-IBGZPJMESA-N 454.533 5.237 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1827528964 CGGZSDFSLRCQTP-QHCPKHFHSA-N 499.099 5.776 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ncccc4c3)CC2)c1Cl 1828032279 GDAZIEGXVQYAAK-RUZDIDTESA-N 487.003 5.307 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1)c1ccc(O)cc1 1828189995 AVZIGVNWOXXDNZ-SHQCIBLASA-N 498.623 5.569 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828245598 OWVYJKGNYDPEJI-AOYPEHQESA-N 462.634 5.207 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)cc1 1828254683 KNWVJMCQXQHKNS-SANMLTNESA-N 469.585 5.171 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(-c3ccccc3)ns2)CC1 1828825425 VUYZIKNKKYTARG-GOTSBHOMSA-N 478.662 5.207 30 20 JKED COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)ccc1C 1828906873 MUXZHTNCDPXKHY-RUZDIDTESA-N 482.741 5.288 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccsc2)CC1)c1ccccc1 1829032166 FKCBCQLLJHOPAF-FTJBHMTQSA-N 462.659 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1829066883 YRIQRMBHVXHWDR-ZJVMWOEPSA-N 456.652 5.099 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1829287549 HFLUMDNTRYNNQO-HHHXNRCGSA-N 496.611 5.079 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829621707 UIYNKWAOEJOPDS-HHHXNRCGSA-N 479.624 5.253 30 20 JKED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1829694518 BVNQKNMBSMBESD-CUNXSJBXSA-N 499.655 5.086 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)cc1 1829898664 BIPPEBUMKKBOCL-HSZRJFAPSA-N 467.972 5.092 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829923828 SEXABWNLXFOQQN-HSZRJFAPSA-N 480.008 5.157 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830273997 FCIAPUQGQWGPBR-QPPBQGQZSA-N 495.067 5.411 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830532758 RXDOPVCSCWVCIK-GOSISDBHSA-N 482.440 5.420 30 20 JKED O=C(CC1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602440 YRQBHZRNDVCLOW-SSEXGKCCSA-N 498.667 5.136 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830718464 JWFHJISYVCYEAX-AREMUKBSSA-N 461.581 5.368 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(F)c3F)CC2)c(Cl)c1 1830723456 JOCJKJVRKZFONX-QFIPXVFZSA-N 489.925 5.176 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1831447243 QGKHTHAUIBHLDQ-HXUWFJFHSA-N 488.497 5.159 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1)C(F)(F)F 1831451159 NPIPDLLTBHDHSD-LJQANCHMSA-N 489.563 5.506 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1831851452 DSANJXGFKSNXCR-HHHXNRCGSA-N 482.628 5.267 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2C)CC1 1831860524 RYROJLNHJLQAQX-OAQYLSRUSA-N 472.427 5.048 30 20 JKED CCOc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633052 BPRFGPNNKWYRDR-IDISGSTGSA-N 473.617 5.259 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699935 RLRQETDQUSFCDR-SVBPBHIXSA-N 474.645 5.160 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1832827330 ZOISHTAHYGDKHE-QHCPKHFHSA-N 457.574 5.075 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)CC1 1833076542 RZPJCDBDQUIRRU-ZHACJKMWSA-N 477.649 5.010 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(-c2ccccc2)nc2ncccc12 1847263824 AOWFKOLVYCAPNR-DQEYMECFSA-N 468.601 5.105 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(Cl)cc1 10831891 WUJZMTXFWSUONW-UHFFFAOYSA-O 464.825 6.548 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)n(Cc2ccco2)c1C 10843049 LRJDGVDRXXKIFC-UHFFFAOYSA-N 450.495 5.143 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(SCc4cccnc4)cc3)ccc2c1=O 11598156 BCRUVHIYSXMHOU-UHFFFAOYSA-N 460.584 5.185 30 20 JKED C=CCn1c(SCc2nc3cc(-c4ccc(OC)cc4)sc3c(=O)[nH]2)nnc1-c1ccoc1C 12723866 FTZAOLCJVUHSMR-UHFFFAOYSA-N 491.598 5.298 30 20 JKED N#CCc1ccc(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)cc1 15029757 DLABKKQAZQJHQK-UHFFFAOYSA-N 474.636 6.274 30 20 JKED COc1ccc(NC(=O)[C@H](Sc2nc(C)cc(C(F)(F)F)c2C#N)c2ccccc2)cc1 16564964 JTGAFFRQKCSWDY-HXUWFJFHSA-N 457.477 5.761 30 20 JKED Cc1nc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c(C#N)c(C)c1C 21410226 ODBGFJSKSXRPGJ-UHFFFAOYSA-N 465.600 5.037 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nnc1-c1cccc(C)c1 23639794 LJPSJZQLNKBOAO-UHFFFAOYSA-N 464.616 5.873 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCOc3ccccc32)nc2sc(-c3ccccc3)cc2c1=O 27117278 PPSYQMOSOFKECL-HXUWFJFHSA-N 489.622 5.043 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nc2ccccc2n1C(F)F 30545962 MDWKNEJZAHNPLB-AWEZNQCLSA-N 459.497 5.780 30 20 JKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 60127438 WZDHGFAQBFQEMY-CQSZACIVSA-N 459.855 6.462 30 20 JKED CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cn(CCC#N)c4ccccc34)nnc12 71794611 AJBGASJRQTXAPH-UHFFFAOYSA-N 498.612 5.078 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1ccoc1C 72050222 ZTYBGCQDVORLJO-UHFFFAOYSA-N 452.561 5.235 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CSc3nncn3C)c2C#N)C(C)(C)C1 96488327 RTKCAHYLIIPURS-WAYWQWQTSA-N 481.672 5.627 30 20 JKED Cc1nn(-c2ccc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cc2)c(C)c1Cl 104483882 BGMZFQSJAFVCCP-UHFFFAOYSA-N 460.921 5.051 30 20 JKED O=C(Nc1cccc(F)c1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 409583752 HVGVRGKEQSSTMP-UHFFFAOYSA-N 452.717 5.408 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 409769797 QRNLGAOGAZHDFN-UHFFFAOYSA-N 493.901 5.870 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C)oc3c2)c1 483363736 INRXQQCLCPZLEN-UHFFFAOYSA-N 481.961 5.423 30 20 JKED N#CC1CCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)c2)CC1 490131747 YLLAIBHSRCBOCN-UHFFFAOYSA-N 494.016 5.111 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 490571461 SGIMTTSCKLPEFB-UHFFFAOYSA-N 464.573 5.174 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1 498275176 HZXQVXIGLIOWBF-UHFFFAOYSA-N 499.386 5.571 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cn2)C[C@@H](C)O1 499644234 SLAYBSVGOUBOPC-GLDPYIMESA-N 490.007 5.326 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)N(Cc4ccco4)c4ccccc4C#N)CC3)c2c1C 501023207 STMCXRMAYQEVOQ-UHFFFAOYSA-N 471.586 5.223 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1OC 501239927 LZABPBTTWARPML-CQSZACIVSA-N 453.955 5.696 30 20 JKED Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)N(CCC#N)Cc2ccccn2)c1 505200586 AFSNIJWCHWRVMG-UHFFFAOYSA-N 490.629 5.044 30 20 JKED C=CCn1c(SCC(=O)Nc2cnc3onc(C)c3c2)nnc1-c1ccc(Cl)cc1Cl 505902394 AWOPKCMVHXPKKJ-UHFFFAOYSA-N 475.361 5.013 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 508265729 CRWXHBPFBFANJP-UHFFFAOYSA-N 452.514 6.102 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 508275792 QVOJSXAYOSWWRY-VWLOTQADSA-N 487.556 5.581 30 20 JKED CCn1c(SCC(=O)Nc2cc(C#N)ccc2OC(C)C)nnc1-c1ccc(Cl)cc1 509621252 XFBKLNHXDRBWSC-UHFFFAOYSA-N 455.971 5.008 30 20 JKED CC[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N1CCc2ccccc2C1 511306290 NIABCJNNENFGBS-SANMLTNESA-N 468.601 5.290 30 20 JKED CCOc1cc2c(cc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)O[C@H](C)C2 511337114 DSRJVVSRYUBYQC-LJQANCHMSA-N 471.557 5.375 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc1 511944514 XOTKFADMEUFBEQ-OAQYLSRUSA-N 493.972 5.166 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 512535940 LUPKRUDSHPRORP-UHFFFAOYSA-N 499.548 5.412 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 513982995 KGHCARWZPZWSLO-UHFFFAOYSA-N 482.628 5.504 30 20 JKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 514239578 OFSNYTBXCIYEDW-FQEVSTJZSA-N 472.564 5.138 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 514413963 MQTSDRLSNDMHSK-UHFFFAOYSA-N 452.436 5.493 30 20 JKED N#Cc1c(NC(=O)c2cncc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2)sc2c1CCCC2 515285517 GRKVOYRFMGATQC-UHFFFAOYSA-N 487.610 5.210 30 20 JKED CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515813005 CLIVNVOEPPGYTM-ZEQRLZLVSA-N 459.977 5.490 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 517529399 RPIFRDAKIJXNJT-IBGZPJMESA-N 465.517 5.107 30 20 JKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 520841704 CZWAIYOXHXVNMT-IBGZPJMESA-N 463.525 5.649 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 520854102 DHGZBQUDYMCJRR-MRXNPFEDSA-N 478.445 6.115 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 521194795 ZERFGWKRFPQOQC-DEOSSOPVSA-N 461.949 5.061 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 521807465 MOYKMTCKATXBIX-LIRRHRJNSA-N 462.402 5.690 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Oc4ccc(F)cc4)c4ccncc34)cc2)c1N 524349641 XZEDWQYTXQEUHL-UHFFFAOYSA-N 464.460 5.058 30 20 JKED C=CCN(C(=O)c1csc(-c2ccccc2C)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 589290368 AHFHQNXSVCNKHB-UHFFFAOYSA-N 495.651 5.478 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603573264 YZDXNSZJPBTSNZ-UWVGGRQHSA-N 498.367 5.731 30 20 JKED N#Cc1cc(NC(=O)NCc2cccc(COCc3ccco3)c2)ccc1OCC(F)(F)F 603660327 MRFKGHZGJNJLJG-UHFFFAOYSA-N 459.424 5.131 30 20 JKED N#Cc1c(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)sc2c1CCC2 603749907 ITLOOOFWZWNYLH-UHFFFAOYSA-N 466.360 5.376 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 608960039 VMKZCCKNJXRBCR-GFCCVEGCSA-N 458.406 5.020 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 609033276 PDHMRPRMSAMRKV-UHFFFAOYSA-N 456.477 5.327 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062655 DXOMZAJQSGAFCT-UHFFFAOYSA-N 487.991 5.569 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 609078589 BDDOOPDQJQUPJN-FTJBHMTQSA-N 459.521 5.627 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609107078 VBFSNCBMBHWDML-UHFFFAOYSA-N 477.561 5.145 30 20 JKED CCOc1ccc([C@H](CNC(=O)c2cc3ccccc3n2CC#N)c2c[nH]c3ccccc23)cc1OC 609160883 PRPQULWWFMVFAB-QHCPKHFHSA-N 492.579 5.615 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(Sc4ccccc4)c3)CC2)c1 609398491 WYHUWUIATJGMJR-UHFFFAOYSA-N 456.571 5.592 30 20 JKED CCOc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCC(=O)N1CCCCC1 609427509 GGQBLLKEXGMMCW-IBGZPJMESA-N 481.618 5.123 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc2ccccc2n1 613292750 VMSSYGFUDPKKRM-OAQYLSRUSA-N 470.326 5.740 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)nnc1-c1ccc(Cl)cc1 617895385 OLSXOSXUDKWSGN-JOCHJYFZSA-N 469.010 5.153 30 20 JKED O=C(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618365680 JUJUGRYZIQZRBN-CHWSQXEVSA-N 485.350 6.047 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 620696301 PWESUJZOQFMNKS-UHFFFAOYSA-N 471.351 5.162 30 20 JKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 624635814 DRFYMCZOAJXCJJ-STQMWFEESA-N 490.391 5.961 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726312245 YMAQAYLYWDGOQG-SANMLTNESA-N 496.542 5.166 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2sccc2C)c1 726414061 WZYIDZRLXDESHG-JOCHJYFZSA-N 489.622 5.207 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CCC(C)C)C1=O 726421170 LNPABRYUFHBKDP-JEWPTACZSA-N 459.637 5.193 30 20 JKED C#Cc1cccc(NC(=S)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)c1 726450762 FOSIOPFYVQFWCD-UHFFFAOYSA-N 450.991 5.092 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2ccc(C(C)(C)C)cc2)c1 726573087 ZKGFWQOHSFBQPX-UHFFFAOYSA-O 453.587 6.322 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)c1 726573496 GZEREOQDYLAIAN-UHFFFAOYSA-O 492.580 5.778 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1c1ccccc1C(F)(F)F 728129721 ZUMNFCVLABBFTL-VLXAULBPSA-N 476.383 6.461 30 20 JKED CC(C)CCN(CCC#N)Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O 728901399 ITTVITZOAVCOFE-UHFFFAOYSA-N 453.384 5.045 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC)c(F)c3)N(C3CCC3)C2=O)cc1 730461318 BKVBRKFQNFNIKP-QFIPXVFZSA-N 485.581 5.136 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2sccc2SC(F)F)n(C2CCCC2)c1C 730660264 PLPMBCMXYWVHKU-UHFFFAOYSA-N 453.536 5.263 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1Cc1cocn1 730709096 NXSZFLWRIFCWMI-LJQANCHMSA-N 488.491 5.162 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1 731060078 CIVXWMHKHJRGLQ-HNNXBMFYSA-N 477.567 5.604 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c1C 731308663 PGRAWCVYBIDRKH-JPYJTQIMSA-N 474.586 5.126 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 732637522 HUIYERYRBWKVMD-IBGZPJMESA-N 462.933 5.221 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1F 745991216 QJOHGZQFFQURNM-APWZRJJASA-N 496.391 5.272 30 20 JKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)[C@H](C)Sc3cc(C)c(C#N)c4nc5ccccc5n34)o2)cc1 746085759 PROTXSSUBLORIU-MSOLQXFVSA-N 497.580 5.811 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccc(Cl)cc1 746164704 AKTNPVMGBJKUCN-CQSZACIVSA-N 499.955 5.370 30 20 JKED COC(=O)N1C/C(=C/c2ccc(SC)c(OC)c2)C(=O)/C(=C\c2ccc(SC)c(OC)c2)C1 746342585 WTWREDOPNRBXLJ-BJPQZVBLSA-N 485.627 5.266 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(CNC(=O)OC(C)(C)C)CC2)c1=S 748797083 CQWZUVVYJWLXLQ-UHFFFAOYSA-N 478.062 5.115 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@@H](COCC(C)C)c2ccco2)C1=O 750911752 REGVDBXGAXLJDA-PKOBYXMFSA-N 498.432 5.068 30 20 JKED CCOc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OCC(F)(F)F 750923604 ZKUSGIKXIULVMR-UHFFFAOYSA-N 487.503 5.655 30 20 JKED Cc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5c4cccc5C(F)(F)F)c23)cc1 767199226 NJYOJFLGWIXYBG-UHFFFAOYSA-N 453.449 5.454 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c1C#N 792734717 RLRKDHIKYVCQIW-UHFFFAOYSA-N 465.600 5.120 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)cc1C 837300362 UGNHEWUDOJZQSQ-XMMPIXPASA-N 496.652 5.276 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837468517 PTFDVJOURGNHPW-SBUREZEXSA-N 494.567 5.698 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 837743544 CSVJZHGQHSCYBI-OPAMFIHVSA-N 483.540 5.539 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 838279213 DMBTVNSSNQTZLL-UZUQRXQVSA-N 476.577 5.505 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1OC 838485890 KCMAWJIYDQGNRA-JOCHJYFZSA-N 467.591 5.048 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2ccccc2CC#N)cs1 849211212 NHAYDJRLKHVKDW-UHFFFAOYSA-N 459.449 5.270 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102060 MTHDTUOCSSSKRW-GOSISDBHSA-N 472.401 5.653 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)cc1 915103770 DWAYWOJVFPFHSW-KRWDZBQOSA-N 487.528 6.078 30 20 JKED CCN(CC)[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(OC)c1 915352976 KTKQYHNUWQVVDD-KAYWLYCHSA-N 456.590 5.555 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 915716849 SPVQFRWINKTJRZ-AAVRWANBSA-N 485.444 5.470 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 916134893 URHIWLYCJWTTPH-JYOAFUTRSA-N 496.903 5.179 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C[C@@H]2CCCO2)c1 916204756 BAKLIXFQPQQCSV-ZEQRLZLVSA-N 473.598 5.288 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccc(OC)c2)cc1 916215253 UVSYDDQIBWNDGA-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCC(C)C)cc1 916215665 XCQPHPJTBDFZEL-JOCHJYFZSA-N 469.607 5.100 30 20 JKED CCCOc1ccccc1Oc1ncccc1CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 916484197 XQSXMJZJMUUEII-UHFFFAOYSA-N 456.502 5.157 30 20 JKED Cc1ccc(-c2csc3ncnc(NN=Cc4cn(CCC#N)nc4-c4ccccc4)c23)cc1 916543510 REMAFTQYFUFQSI-UHFFFAOYSA-N 463.570 5.890 30 20 JKED CC[C@H](CO)NCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1sccc1C)CC2(C)C 916571661 LOYATITVRIWEMQ-JTGQJZMRSA-N 455.649 5.067 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916845665 BIJSXTRJNHVAGQ-NHCUHLMSSA-N 496.592 5.013 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccccc1Oc1ccccc1 916905377 OHARSFJIBZVLLE-HXUWFJFHSA-N 487.968 6.146 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12 916918468 PLRYWGAAMALFDU-CSHXORCISA-N 476.376 6.238 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 916941025 YNRURKQKZUDWBJ-OAHLLOKOSA-N 463.918 5.487 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)C(=O)Nc1ccccc1Cl 917426113 HPKVKFGOXWFANJ-GFCCVEGCSA-N 480.796 5.178 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1 917426543 NVYXETZMMMASFN-GOSISDBHSA-N 483.952 5.625 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cn1 917674393 OHTCEAILOBNPED-QFIPXVFZSA-N 492.576 5.168 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 917677496 GJJLMYPPQWXPSG-KRWDZBQOSA-N 484.380 5.129 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 917700028 GNQXABSFEFKTFN-IQGLISFBSA-N 498.583 6.095 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1cccs1 917701693 APPXVYLEHMYZQJ-OAQYLSRUSA-N 496.564 5.101 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 920112081 VOOUDYDCOBSDSY-UZLBHIALSA-N 494.389 5.898 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)c(F)c2)C1=O)Nc1ccc(F)cc1F 920354690 GPKQWJPVFSEMHA-NRFANRHFSA-N 487.478 5.404 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ncnc3c2oc2ccccc23)cs1 920368693 CWCXXNRPIPYPBC-UHFFFAOYSA-N 496.474 5.982 30 20 JKED CC(=O)N(c1nc(C=NNc2ccc(Br)c(C)c2)cs1)c1ccc(F)cc1F 920479425 NGCKFZPHUFPVNA-UHFFFAOYSA-N 465.323 5.623 30 20 JKED CCc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cc(O)ccc2C)cc1 920483986 ARFAYBMPPXLGQQ-UHFFFAOYSA-O 490.649 5.670 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 920677750 MJDCQPKVIMLPIR-ZDUSSCGKSA-N 477.970 5.085 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1C 920893754 YVJZEKBKDZTXLU-INIZCTEOSA-N 468.916 5.057 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1 1788650020 QHKQHBMOYCQHBV-CMDGGOBGSA-N 454.935 5.181 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5s4)cc3)CCC2)c1 1788971477 UPRGJNMYFMXHQW-UHFFFAOYSA-N 470.529 5.369 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789170193 SSSBGFMRKQWVQZ-FQEVSTJZSA-N 483.653 5.370 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)c2c1 1789274074 WXLILWPYXPSBAW-UHFFFAOYSA-N 464.525 5.110 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393274 GCHLFAFCBYUADK-INIZCTEOSA-N 466.969 5.370 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3OCc3ccc(OC)cc3)cc2)CCC1 1790043381 WXOKGXSXUYHMHF-OAQYLSRUSA-N 499.611 5.629 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnccn4)c3)cc2)CCC1 1790079704 ALSRHWDSWNNZHE-UHFFFAOYSA-N 466.585 5.660 30 20 JKED Cc1c(Br)cc(F)cc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1 1790086711 BLSDLTCHPDGOGQ-UHFFFAOYSA-N 495.352 5.158 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)c(Cl)c3)CCC2)cc1 1790566495 BIZVBNMVUKDRNP-CQSZACIVSA-N 480.367 5.681 30 20 JKED Cc1nc2ccncc2cc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790706427 AQUHNEXOXAGCGP-UHFFFAOYSA-N 475.552 5.066 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205388 YABALCXUSWOINF-QHCPKHFHSA-N 495.595 5.433 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)c(C)c1)C2 1793051517 IHRBRHJOLILDEI-QEIWAGNOSA-N 495.664 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCC(F)(F)F)c(F)c1)C2 1798591766 GXMJQMGQWGPVRQ-BCDXTJNWSA-N 470.507 5.011 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(OCc3nc(C(C)(C)C)cs3)c1)C2 1801643601 NJIOPNXRXVMNSD-PSWRPDDJSA-N 495.689 5.484 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)[C@@H]1c1cccnc1 1802493223 UNFQRGXQNCJCFF-DYESRHJHSA-N 475.420 5.095 30 20 JKED CC(C)n1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)c(C(F)(F)F)c1 1803679919 VPMKLAVXTZJYHQ-DVWBAYGPSA-N 486.538 5.280 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccccc1C(F)(F)F 1803861915 ZEDJAXIUHDZFBK-QDMKHBRRSA-N 488.403 5.429 30 20 JKED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCc1ccccc1 1804283159 HURFFFXXXPHKSF-LGKQTMLJSA-N 494.724 5.270 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)C1 1805457719 MMPMIWFXDKCTPR-UHFFFAOYSA-N 499.655 5.552 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1806086852 JRNCYAPEXNPHNE-IMSXRSKXSA-N 474.630 5.088 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C(C)(C)Oc3ccc4ccccc4c3)[C@H]2c2cccnc2)C1 1807480950 HBGDYPSYPRKGOO-RPLLCQBOSA-N 483.612 5.064 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1809491206 QRISPBCKVSXALA-JKZYNQPXSA-N 471.601 5.539 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3ccncc23)[C@H]1c1cccnc1 1810271698 IZXYPHOSWNIMMV-YWEHKCAJSA-N 498.703 5.001 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4cccnc4-c4cccc(F)c4)C3)CC2)c1 1810383202 QNESQLVVLJPXLO-UHFFFAOYSA-N 496.586 5.226 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)n3ccccc23)[C@H]1c1cccnc1 1811263996 JHUXEQSJWFCQNZ-FYBSXPHGSA-N 490.607 5.124 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811429259 KYRDGBPUPGNINV-RDPSFJRHSA-N 480.008 5.793 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3c(F)cc(Cl)cc3Cl)[C@@H]2c2cccnc2)cc1 1811458998 FZTYCZAJXAORCZ-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1812671464 BZXDAXGPGUVUNL-OXQOHEQNSA-N 482.358 5.228 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1)C(F)(F)F 1812681411 WCRPXHWWBGNKQS-YWZLYKJASA-N 493.938 5.388 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1)C(F)(F)F 1812683692 RMOPKLNLTKBTLF-HNAYVOBHSA-N 486.321 5.135 30 20 JKED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1812810097 XTNHIBVTDACQRY-HOFKKMOUSA-N 490.648 5.278 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C3(c4cccc(Cl)c4)CCCC3)[C@@H]2c2cccnc2)C1 1812988376 YVTWGGXCRHPHRR-BWKNWUBXSA-N 478.036 5.219 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1813227849 YPLGWPYPSTVKQQ-CYFREDJKSA-N 480.033 5.463 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)CCCc3ccccc3F)[C@H]2c2cccnc2)c1 1813863136 GNCZODBXGPEZPR-FCTLNWHPSA-N 498.602 5.190 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c1 1813868402 NCBWQFSUUXRGKB-SEIFXHLTSA-N 490.966 5.135 30 20 JKED CCOc1ccsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814343700 LJABMFYDOHIJAX-SFHVURJKSA-N 483.981 5.015 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)[nH]n1 1814570815 VTQFPVLKPGKTLD-FQEVSTJZSA-N 468.001 5.117 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1814571194 RLOPGVMOCZFSJE-UWJYYQICSA-N 493.011 5.206 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)[nH]n1 1814826768 AHZLYWVOWRAFAC-DJKHGBOQSA-N 457.578 5.365 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1815659535 SSRHZKVMKDCFGT-MRXNPFEDSA-N 497.846 5.051 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1815659593 WGELECUDRJMBKI-QGZVFWFLSA-N 471.385 5.081 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc(C)oc2C(F)(F)F)n[nH]1 1818081729 UXQCCVYSDIPFLZ-HNNXBMFYSA-N 467.492 5.023 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccc(C)cc2)n[nH]1 1818798847 BZPOVSDUGSMSGN-IRLDBZIGSA-N 452.624 5.271 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc3ccccc3o2)[nH]n1)c1ccccc1 1819520492 JZDRYLHUSXEUJB-REWPJTCUSA-N 481.556 5.054 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)cc1 1820466963 LDYWRLIZWMLHBQ-JOCHJYFZSA-N 495.505 5.239 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)[nH]n2)cc1 1820548467 FPFXOMSHUNAGCJ-OAQYLSRUSA-N 472.936 5.036 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCCC)cc2)n[nH]1 1820639871 WHSCASFVIZTCQD-HSZRJFAPSA-N 450.583 5.273 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)ON=C(C)C)n[nH]2)c1 1820972383 MWEAOQOTFOUAFS-GBXCKJPGSA-N 481.641 5.178 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1821918761 NNPBQPCDDDAZMW-LAUBAEHRSA-N 458.990 5.127 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1)C(F)(F)F 1821991920 CPESVVWAMGIKCL-CQSZACIVSA-N 482.915 5.702 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)c1 1822962060 HMISUPYQDMQUFT-UIWFIXDVSA-N 459.594 5.313 30 20 JKED Cc1ccc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1823144745 AMAGARXXTZMLLK-NTKDMRAZSA-N 455.562 5.273 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC(F)(F)F)[nH]n2)cc1C#N 1823291041 GZRHYHKYYQRVHW-IBGZPJMESA-N 491.514 5.107 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCOc3ccc(F)cc3)CC2)c1 1823971551 JEIYQXXLUZZRBZ-KDYSTLNUSA-N 491.607 5.155 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)cc1 1824238018 XYMAAKJYKLHEDP-DXBVXKBHSA-N 491.582 5.068 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824245767 GCYRFRLNDZGOSB-BNVTUTKDSA-N 470.057 5.537 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825425115 PFWRCFUQDRVQQQ-XMMPIXPASA-N 469.576 5.435 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1)NC(=O)OC(C)(C)C 1826283962 IBXAKHXXVZTVDX-BJKOFHAPSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)[C@@H](C2CCOCC2)CN3)CC1 1826777902 HGIUQLBYIZKLIL-GGPAXRDESA-N 493.692 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(OCC(C)C)c2)CC1 1827701413 PRSHESKNJZHHQV-XMMPIXPASA-N 469.670 5.342 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)CC2)c1 1828047336 DEPCKPAGRKOWED-DCFHFQCYSA-N 468.601 5.342 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)oc2ccccc12 1828128379 SLPACMSQKMKDMC-RUZDIDTESA-N 469.585 5.354 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1828222016 PJXNICDJTCNVLT-UZUQRXQVSA-N 486.454 5.376 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)ccc1F 1828460237 RDZWFHOXTGQLTQ-XOEMUTSUSA-N 493.667 5.466 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1828822288 HVBAHOZFPVNWEM-IRLDBZIGSA-N 493.570 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1828825680 ZTDUQZWVLLSFDX-RSXGOPAZSA-N 491.632 5.352 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828828454 KMKYTOHOGUJOCU-TZIWHRDSSA-N 473.013 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3cc(C)c(C)cc3[nH]2)CC1 1828852880 NSSDEJILHUJUNE-DHLKQENFSA-N 462.638 5.181 30 20 JKED Cc1cc2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c2cc1C 1828853265 ILBBLUMMTKWIDO-KDYSTLNUSA-N 497.643 5.354 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1Cl 1829690187 OXIJEEUJHGLZJN-XMMPIXPASA-N 492.982 5.379 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#Cc2ccc(Cl)cc2)CC1 1829865104 NTPWYEIOIFBQRG-HSZRJFAPSA-N 496.076 5.132 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3F)CC2)cc1 1830017319 XCIURHNWTGTJIC-MHZLTWQESA-N 489.591 5.033 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)c1 1830355331 DVMGPPNLBCXHCQ-DWOOMVRVSA-N 451.586 5.067 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1830470860 FLRPFKCAFQFXKA-RUZDIDTESA-N 494.035 5.546 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830720682 UYTGSIRYAFVUNC-RUZDIDTESA-N 494.035 5.141 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)c1 1830765608 ULBVZZUUCFIJAL-ONBPZOJHSA-N 491.582 5.182 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830826334 FGTNILVEEIEBIT-RUZDIDTESA-N 484.040 5.104 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831310194 JYLHIAZGYFCDBS-HSZRJFAPSA-N 480.546 5.200 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccccc3Br)CC2)C1 1831970573 UWQGDMHKESOTKV-JJNABOQBSA-N 471.439 5.048 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)ccc1F 1832555704 DYYAEVRAJVWHDV-HHHXNRCGSA-N 473.592 5.051 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)CC1 1832564008 VYCKVEAEYHMVTO-DEOSSOPVSA-N 452.639 5.237 30 20 JKED Cc1cc2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c2cc1C 1832632433 QFDHCEZUIRMHFS-IDISGSTGSA-N 497.643 5.354 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832632765 VEIQMFLJYPPXNB-NMMYMHLASA-N 495.714 5.789 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)nc3F)CC2)c1 1832635245 XXWVLLBVXKGCBU-VGSWGCGISA-N 482.987 5.048 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)c(Cl)c1 1832661761 KQGPYLOILLHDOO-VWLOTQADSA-N 480.008 5.076 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832978846 BFCSKZLJCOEMQJ-BKMJKUGQSA-N 478.700 5.403 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)CC1 1837726166 YWEIDVASYHGFHG-UHFFFAOYSA-N 494.598 5.239 30 20 JKED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)cc1 1844654740 FMZPJVYKGAYOMU-UHFFFAOYSA-N 480.593 5.093 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)C1 1845194144 KMVKOXDRYXDMKS-UHFFFAOYSA-N 493.648 5.163 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)cc1 10172460 WCQQBHABEJGRAZ-UHFFFAOYSA-O 469.586 6.085 30 20 JKED COc1cccc(NC(=O)[C@H](OC(=O)c2cc(C3CC3)nc(SC)c2C#N)c2ccccc2)c1 10711267 BOXPRLYOSSIOCD-HSZRJFAPSA-N 473.554 5.098 30 20 JKED Cc1cc(C)cc(N(C(=O)Cn2cnc(C#N)n2)c2nc(-c3ccc(Br)cc3)cs2)c1 14143613 DKQMELXJULUCGS-UHFFFAOYSA-N 493.390 5.018 30 20 JKED COc1cc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc(OC)c1O 18065111 GWDVTBXMMCNEIM-XDHOZWIPSA-N 465.933 5.585 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 22728677 CTJOAUNMNHFIRO-UHFFFAOYSA-O 461.651 6.500 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3)o2)c1 23617686 WUEWVGSVGLZADC-KRWDZBQOSA-N 470.982 5.346 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc(OC)cc1 23998304 PNLVIAMLKHQVHW-VQIMIIECSA-N 454.621 5.046 30 20 JKED C=CCn1c(C)nnc1SCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 27128301 XLAMJERAZKMNKM-UHFFFAOYSA-N 479.606 5.361 30 20 JKED Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 27444861 ZELDTVKKILJUPU-GOSISDBHSA-N 496.017 5.140 30 20 JKED CC(=O)Nc1ccc(-c2csc(/N=C(\O)c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)cc1 29114422 WVRDHBYXUXGZDF-UHFFFAOYSA-N 478.961 5.268 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc2cc(Cl)ccc2c1=O 108968175 LXABCSYCWYYPTD-UHFFFAOYSA-N 479.776 5.885 30 20 JKED Cc1cc(C)n(Cc2cccc(/C(N)=N\OCC(=O)Nc3c(C(C)C)cccc3C(C)C)c2)n1 109391488 YATMUAYQFUMXSO-UHFFFAOYSA-N 461.610 5.071 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1 255929878 OXAIVVWMJQAZIT-KBPBESRZSA-N 462.406 5.191 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccc(OC)cc1 255933742 OEZGYWQXXXDSDA-VWLOTQADSA-N 484.625 6.229 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 303195683 GKUBPSLGOSRDQH-RUZDIDTESA-N 497.624 5.245 30 20 JKED N#C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(OCc2ccccc2)cc1 303274694 SDABRTICOVKSAN-DEOSSOPVSA-N 457.530 5.452 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 487061084 MWZYKIJVTFKWRP-QFIPXVFZSA-N 474.948 5.759 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)s2)c(C(F)(F)F)c1 487383850 FHFHETFYKLMRCJ-UHFFFAOYSA-N 478.477 5.263 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)s2)cc1 500035910 HFNSXAILVJXRNL-UHFFFAOYSA-N 472.517 5.805 30 20 JKED CSc1ccc(N2C[C@@H](C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2=O)cc1 501449024 XTZXBFDKLLJCBZ-NRFANRHFSA-N 471.582 5.045 30 20 JKED Cc1ccc(OC2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)cc1C 501861924 JSIOMPSLGQYKTI-UHFFFAOYSA-N 456.590 5.381 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)cc2F)c1 503493768 ZVMHQSSGYOLTQO-SANMLTNESA-N 452.489 5.582 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)sc2n1 505704018 YZBQCDLWSFRHRS-UHFFFAOYSA-N 490.541 5.080 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1 516322918 HSRJKSRTESELCM-AMGIVPHBSA-N 485.609 5.187 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2cccs2)cc1 517466477 QDWRNQUJZRACQU-HOYKHHGWSA-N 477.655 6.112 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1 519413372 SGWSUBTUWGANBN-HNNXBMFYSA-N 455.634 5.715 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 520856571 KAJMPITVJCDGQR-BEFAXECRSA-N 460.397 5.306 30 20 JKED CCc1cccc2c(C3CCN(C(=O)c4cn(CCC#N)nc4-c4ccc([N+](=O)[O-])cc4)CC3)c[nH]c12 521298206 ZCJVNFLRAMAVLR-UHFFFAOYSA-N 496.571 5.435 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c(C)c1 521312721 FGBPEICIPHBWAW-UHFFFAOYSA-N 489.597 5.007 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 521719771 LOYHMJMZLQHBBI-UHFFFAOYSA-N 479.378 5.311 30 20 JKED Cc1cccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)n(-c3ccccc3)n2)c1 522121187 CPAKZAXYKPJTOL-UHFFFAOYSA-N 484.581 5.178 30 20 JKED CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)cc1 523252602 SFZFCBHFBMOKHV-UHFFFAOYSA-N 488.521 5.178 30 20 JKED COc1ccc(CCNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F 586255248 VIPYQCHGKGCJAF-VXGBXAGGSA-N 478.380 5.048 30 20 JKED CN(Cc1ccc(F)cc1)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 590624617 PCLOHVDQKNQYEY-UHFFFAOYSA-N 454.342 5.372 30 20 JKED N#Cc1c(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)sc2c1CCCC2 600841043 HKNQKPAXPLXGEG-UHFFFAOYSA-N 467.660 5.539 30 20 JKED Cc1nc(COc2ccc(C(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)cc2)no1 603532958 ILRJMPAKBWOTMS-UHFFFAOYSA-N 456.477 5.123 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4ccc5c(c4)OCCO5)CCCC3)c2)c1 603995317 BMUNJCSYJYURNI-UHFFFAOYSA-N 467.525 5.032 30 20 JKED Cc1nc(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C#N)c(C)c1C 604003135 FAUFQILAAYJVOD-UHFFFAOYSA-N 456.571 5.254 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3sccc3S(=O)(=O)N3CCCC3)cc2Cl)cc1 604027099 FFILWXQKDNLMCV-UHFFFAOYSA-N 487.990 5.102 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)no1 604027261 RRQXLFOJKZFMNC-UHFFFAOYSA-N 460.877 5.527 30 20 JKED CCc1cccc2c(C3CCN(C(=O)Nc4ccccc4COc4ccc(CC#N)cc4)CC3)c[nH]c12 604086093 YSWACJLJVQJMOD-UHFFFAOYSA-N 492.623 6.787 30 20 JKED CN(Cc1ccccc1N1CCCC1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604162685 LHAVKFLNLOFUQW-UHFFFAOYSA-N 488.975 5.201 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(OCc3cccnc3)c2)c1 604440663 OVQLLRINMBWWMX-UHFFFAOYSA-N 494.576 5.515 30 20 JKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Cl 608804809 MADJDBYODMYTMA-QGZVFWFLSA-N 477.948 5.651 30 20 JKED CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609055418 GRJXKLHXLKVGBK-UHFFFAOYSA-N 485.462 5.238 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c1 609066364 ABTVNYVAOPRPFO-UHFFFAOYSA-N 455.486 5.435 30 20 JKED CN(C[C@H](O)COCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609206235 FVCUHHHLBUFPMH-LADGPHEKSA-N 463.965 5.037 30 20 JKED N#CCCSc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 609385970 VCLMDPUHUPUHNO-GOSISDBHSA-N 452.630 5.605 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc2c(cc1Br)OCO2 609388142 MHENXSPGOJHHMP-ZDUSSCGKSA-N 479.421 5.444 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 609436313 KXWLTDJQYLVJTF-RBUKOAKNSA-N 486.597 5.149 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C(F)(F)F)nnc1-c1ccc(Cl)cc1 612435182 RGMTVRZCKGBHKL-GOSISDBHSA-N 466.916 5.296 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4cccs4)nc4c3c(C)nn4C)n2)cc1 613314441 PLFKJMNVHOCFNO-GOSISDBHSA-N 469.595 5.927 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccncc2)nnc1-c1ccc(Cl)cc1Cl 637296156 GTCJOFNFGRDWDG-IBGZPJMESA-N 474.417 5.289 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 726396579 FSEKRYMWOTXBTK-DJJJIMSYSA-N 481.952 5.004 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1F 726409927 DVVCNZITWLXDCY-UZUQRXQVSA-N 492.576 5.259 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S/C1=N/[C@@H](C)c1cccs1 726419411 FCRILKCLQWCCBH-WYAUKPPCSA-N 451.564 5.216 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1Cl 726501727 BMOLXZHFJHLUSW-KRWDZBQOSA-N 461.146 6.059 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2Cl)cc1 727997198 UMYZUZBWIKBUSW-UHFFFAOYSA-N 484.987 6.213 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 728117581 JMCKVWHBNZZTGV-RUZDIDTESA-N 479.502 6.719 30 20 JKED Cc1ccc(-c2c(C)sc3nc(/C(Cl)=C/c4ccc(O[C@H](C)C#N)cc4)nc(O)c23)cc1 728700513 RCBLOAOWOBFEQB-GEYIUBJWSA-N 461.974 6.709 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CCCCC#N)C1=O 728777289 JYTQJFHQXYLJLL-FQEVSTJZSA-N 489.428 5.956 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCCCC#N)cc1Cl 728777963 NIOBHESTLOBTTC-NRFANRHFSA-N 485.009 5.311 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCCCC#N)C1=O 728778585 SUGLAUXWQXQGFV-FQEVSTJZSA-N 472.973 5.442 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729785548 BGDIWBXJIAUJLX-UHFFFAOYSA-N 495.473 5.345 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C2CCC2)cc1 730461878 TZTCSUSAJWBRNI-HSZRJFAPSA-N 459.571 5.361 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730943548 FQASBQDQPVVDLN-YADARESESA-N 487.629 5.178 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 730953302 DGXGSNMHZKMHNN-LJQANCHMSA-N 488.638 6.174 30 20 JKED Cc1ccc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1NC(=O)c1ccccc1 731073424 JHIIWXKPWGWELL-GOSISDBHSA-N 487.581 5.295 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(CN2CCCC2)n(Cc2ccccc2)c1=S 746055847 HRMIMQOBAAQOFD-UHFFFAOYSA-N 474.678 5.046 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCc3nccs3)C2=O)c1 747602771 NXNTYPVUXRKIEH-FQEVSTJZSA-N 482.606 5.102 30 20 JKED C[C@@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 748034717 VBWDWPAONGKICG-MRXNPFEDSA-N 476.499 5.679 30 20 JKED C=CCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 748123865 XVUINTLTYSKIDJ-UHFFFAOYSA-N 498.369 5.463 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3c(Cl)ccc(Cl)c3C2=O)cs1 748583161 CUSYTJSOYPLJRK-WQLSENKSSA-N 463.317 5.932 30 20 JKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C=C/c1ccccc1C#N 799827939 PFVXNODIUSTZNA-CCEZHUSRSA-N 455.514 5.260 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 837284917 HGQXXFYVKZFKPD-AVRWGWEMSA-N 498.583 6.095 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CC)ccc1Cl 914527862 LDKVXZDRRACBPW-HNNXBMFYSA-N 455.407 5.245 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(F)F)cc1 914545641 FUHWJRRJPSRANE-RBBKRZOGSA-N 487.572 5.286 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCc2ccc(-c3csc(C)n3)cc2)C1=O 914548050 ZFLBIPPHOKDGOE-NRFANRHFSA-N 499.061 5.082 30 20 JKED CC(=O)N[C@@H](CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 914890759 DEKUIRQPAGNKFM-VWLOTQADSA-N 460.961 5.350 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2n1C(F)F 915107399 SNCAYNMCNOCKGK-NQIIRXRSSA-N 492.913 5.822 30 20 JKED C[C@H](OC(=O)c1cc2ccccc2c(Cl)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 915449643 SQJWYALRRZCHBR-ZDUSSCGKSA-N 453.951 5.274 30 20 JKED O=C1/C(=C\c2ccc(C(=O)O)cc2)CN(Cc2ccc(Cl)cc2)C/C1=C/c1ccc(C(=O)O)cc1 915990759 WUSDXGCCXVIMEJ-GACBQCINSA-N 487.939 5.288 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916057896 YXDIEMJIGMXDPO-AOYPEHQESA-N 457.961 5.470 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccco3)C2=O)cc1OC 916204560 HGQMXAALHVGXJP-HSZRJFAPSA-N 493.585 5.074 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 916208825 WGYTXVBKJITLJK-HSZRJFAPSA-N 479.577 5.366 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c1 916211546 PNDVBJQSHSTDIK-NRFANRHFSA-N 499.976 5.111 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3ccccn3)C2=O)c1 916217053 CQRSEPIVKGGDFO-VWLOTQADSA-N 496.592 5.404 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccco2)C1=O 916217305 KEPKWZSZXCLCFW-DEOSSOPVSA-N 485.565 5.602 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1cn(Cc2ccccc2)nc1-c1cccs1 916277634 NYIURQAHRUQOMC-UHFFFAOYSA-N 472.599 5.098 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2s1 916847387 DSTRNFNVJRNRKG-XMSQKQJNSA-N 463.356 6.055 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916901057 XKYIRQNSIFWEMU-FQEVSTJZSA-N 484.943 5.471 30 20 JKED CCCCCCn1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2c1=O 916928063 GNFGPADTGOLKCL-SFHVURJKSA-N 485.371 5.245 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 916944405 CXSPOUHJRHQIKQ-OAHLLOKOSA-N 455.725 5.405 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)nc1C 916961720 ZZPCAJLROHQCKF-HNNXBMFYSA-N 457.625 5.023 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 916972715 QBOCZVLFKZNHOI-KRWDZBQOSA-N 466.975 5.791 30 20 JKED N#C[C@@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 917044290 QMNQLTARLGEIPA-HNNXBMFYSA-N 456.449 5.564 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2cc(Cl)ccc2s1 917047449 XOFSHYDDWGHOMJ-DYVFJYSZSA-N 478.788 5.738 30 20 JKED N#Cc1ccc(CSCC(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 917262417 XCFWBNYQWXQWGO-QHCPKHFHSA-N 495.944 5.276 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)ccc1OCc1cccs1 917572149 RLHQVNYMFXNKKS-UHFFFAOYSA-N 456.980 5.419 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 917634847 DRUINWUSTYOVEK-KRWDZBQOSA-N 467.900 5.095 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(Cl)c(Cl)c1 917657784 QZRBLHFZGGTBIE-FQEVSTJZSA-N 494.444 5.188 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)(C)C)CC2)c1 917668573 BYGOMWOBFUWPKZ-QHCPKHFHSA-N 496.652 5.357 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccnc(C)n2)c1 917668582 CFSRRVMRBPZSHG-JOCHJYFZSA-N 494.020 5.216 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)cc1F 917687039 LSVZRKOZLUOWCE-QHCPKHFHSA-N 490.535 5.305 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)c1 917728533 XDPGJRZUFXXJBA-UHFFFAOYSA-N 487.940 5.215 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3NC(=O)c3cccs3)s2)cc1 918321461 RHLQVCBZFVPRST-UHFFFAOYSA-N 477.596 5.268 30 20 JKED CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 920112668 GIOGBIIPLVKPQW-YKSBVNFPSA-N 474.511 5.144 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141783 QWNMVTZTZJJNML-SFHVURJKSA-N 490.013 5.798 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CSc4nc(C)cs4)cc3)n2)cc1 920143841 TVJIBTMDTHPXJU-FQEVSTJZSA-N 477.636 6.366 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3c(C)noc3C)C2=O)cc1 920353663 PBIJNTHPONXNOD-HSZRJFAPSA-N 476.602 5.377 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(C=NN[C@H](C)c2ccccc2)cc1OC 920385385 BSVTUBGGTABISF-QGZVFWFLSA-N 467.953 5.059 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 920866491 DRRYTCHGCXOLOC-FDDCHVKYSA-N 461.587 5.083 30 20 JKED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCCCCCCCc1ccccc1)C2 1782184976 GWOOXFNBHUUKQJ-RGODFAACSA-N 488.738 5.182 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1)NC(=O)OC(C)(C)C 1787277619 MWKMLFDPVQEVTD-HXUWFJFHSA-N 483.634 5.355 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4scnc4C(F)(F)F)cc3)CCC2)c1 1787575984 ARYVKSLHBRHNQD-OAHLLOKOSA-N 498.530 5.850 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccs4)CCC3)cc2)c(C(F)(F)F)n1 1788357387 KJDNEDNPVTYOSU-UHFFFAOYSA-N 484.503 5.024 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(OC)cc3)cc2)CCC1 1788377903 FGBGMEVSOJWBAQ-HXUWFJFHSA-N 485.584 5.096 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3csc(-c4cccnc4)n3)cc2)CCC1 1788676278 WXAJMTBBJZQBIK-UHFFFAOYSA-N 458.587 5.146 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cn(-c5cnn(C)c5)c5ccccc45)cc3)CCC2)C1 1788689802 PFMAPFXYDYRBAV-UHFFFAOYSA-N 479.584 5.078 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789449087 LPNOKSPEMFFPIO-HSZRJFAPSA-N 479.621 5.066 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](N)c3cccc(Cl)c3)CCC2)cc1 1789451853 UOKORJKUMXQZEP-XZOQPEGZSA-N 451.998 5.242 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1789559703 YLHJYUJNBPVHIB-BATDETSNSA-N 494.979 5.098 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1789560657 IYJZXMUTHTTZJB-XZZBMYDMSA-N 495.963 5.363 30 20 JKED COc1cscc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083711 IAZZBXUQERGABS-UHFFFAOYSA-N 465.962 5.343 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)cc1 1790710208 BOMOGFCXGJBIOS-UHFFFAOYSA-N 476.536 5.469 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCC3)cc2)c1 1792123214 NTUOBEYBOIBZQI-KSEUIEODSA-N 484.512 5.276 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)cc1 1796468500 JYRRKXDOQXPCKB-KOUNCHBCSA-N 484.987 5.148 30 20 JKED CC(C)n1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)c(C(F)(F)F)c1 1798419922 PMCBEBOBPJPXSN-ACDBMABISA-N 495.662 5.391 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1 1800279809 XKPGHKURAHIDHH-KAOXLYBCSA-N 474.498 5.348 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1800491718 NVDRUWCWNDRJLL-AEHXPESNSA-N 492.582 5.169 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCNC(=O)OC(C)(C)C)C2 1801634435 MKRIWFURCUXBLJ-BXXSPATCSA-N 477.690 5.092 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)c4c(nc3c1)CCCC4)C2 1801697777 GGIARIYZNKASHP-BCDXTJNWSA-N 487.978 5.230 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)s2)[C@H]1c1cccnc1 1802492275 PRRHYJPNOBOSAB-QPPBQGQZSA-N 453.652 5.083 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3cccs3)on2)[C@H]1c1cccnc1 1802496316 PMTUCFIPLUMQQW-XXBNENTESA-N 478.618 5.110 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1802502672 GFANPWGAYPSQQK-QPPBQGQZSA-N 459.590 5.448 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1802729837 KMFFPBHEHDLFAZ-JTHBVZDNSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802828939 DYUUEIAPOJDDNB-KWOQKUFVSA-N 468.041 5.537 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)ccc1F)C2 1804450369 BTSJAZFFKMBPCW-NUNAXRQHSA-N 499.627 5.023 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)CC2)C1 1804862082 GMSMMYPCBMDGJA-XPWALMASSA-N 452.664 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805481971 TXICTUDKZYJJKT-UHFFFAOYSA-N 476.017 5.014 30 20 JKED C[C@H](S)C(=O)N1CCC2(CCCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)CC1 1805626715 IGCMXKPIQMKCSH-JSOIOWGOSA-N 463.087 5.163 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CSc3ccc(F)cc3F)C2)CC1 1805926707 SJKLRKFIQAPVDP-UHFFFAOYSA-N 462.606 5.057 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1808876173 JIBZNAMGSPDFOK-WNJJXGMVSA-N 486.660 5.198 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3cccnc23)[C@H]1c1cccnc1 1809026186 IZABLDPDEPUQPH-RBJSKKJNSA-N 498.703 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1810443216 FVDVWHIYBUYBNH-PVHODMMVSA-N 471.645 5.277 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1810501993 GGCHUUGVBDTZQP-WXVAWEFUSA-N 495.623 6.293 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1810961276 XQTJZXPVKLZXDT-BEVDRBHNSA-N 499.986 5.028 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c(Cl)c1 1811748864 DQHAEMMDTLOXGK-ZEQKJWHPSA-N 484.987 5.117 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1811950974 OJCNVNFDUPNAFX-PXJZQJOASA-N 480.612 5.029 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1812672580 JFEOEMFQCJIDGY-BVAGGSTKSA-N 489.566 5.588 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](c3ccccc3)N(C)Cc3ccccc3)[nH]n2)C1 1814397309 MGQPNZGQNVHMHG-IXCJQBJRSA-N 497.643 5.241 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1814570138 QSIRMDRKVUMIOM-JOCHJYFZSA-N 457.534 5.058 30 20 JKED COc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)cc1C 1815503065 WMUGRDOUEHYTQR-HSZRJFAPSA-N 494.712 5.013 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c1Cl 1815789207 VNHMUONQGLYQBK-GBJNBNQZSA-N 498.974 5.435 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818117584 YVVROTWURXNDMB-CHHLAKQQSA-N 490.629 5.269 30 20 JKED Cc1nc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)c2s1 1818538535 NAMWAMSTDTWXAA-MWTRTKDXSA-N 498.612 5.575 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)cc2c1 1818564649 UBECRJQZDJBDEI-XMMPIXPASA-N 489.696 5.556 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)c2[nH]1 1818653144 ZGICXUIEOJYJRO-JOCHJYFZSA-N 486.963 5.344 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccc(C)cc2)n[nH]1 1818797816 VIBUDSHMWDSROL-JOCHJYFZSA-N 452.624 5.271 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1818799644 WYKMVUBSXHYGHZ-JOCHJYFZSA-N 494.020 5.341 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cnccc34)n[nH]2)c1 1819129899 QXDCNKMYOSBRBN-BVZFJXPGSA-N 478.556 5.205 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)cs2)[nH]n1 1819306117 XDLLJVOWDFMYKJ-DOTOQJQBSA-N 477.428 5.308 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)n[nH]1 1819408761 BOJICXSFLQZKFF-HGSOSGBHSA-N 464.635 5.282 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[nH]n1 1819554548 HPGQFEBHXFHBLW-LUFJGRFYSA-N 489.620 5.598 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)[nH]n1 1819557282 FFEZTHJBTQGXOW-HXUWFJFHSA-N 489.661 5.041 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4sccc4Cl)sc3C2)c1 1820894108 KTTBYFDGZGJQAY-DOMZBBRYSA-N 471.007 5.025 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)COc3cccc4ccccc34)[nH]n2)cc1 1821178390 RCMROWMLEUHXEH-RUZDIDTESA-N 493.567 5.014 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cnccc34)[nH]n2)c(Cl)c1 1821277810 JPKIDIJAZIWSAS-HSZRJFAPSA-N 484.947 5.103 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821308947 QEENQUIDZWYGKK-GOSISDBHSA-N 487.507 5.290 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c1 1821326145 LXUMZTQRLXXOMO-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821385053 NYZWKTSEFCFUFZ-YCRPNKLZSA-N 451.958 5.129 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(OC)cc2OC)n[nH]1 1821850219 BMDNLBVXNPDFTN-QFIPXVFZSA-N 482.625 5.044 30 20 JKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)CC1 1822101571 URVGVSSEKLLGSY-ZILOHOTNSA-N 461.610 5.388 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCCn3cccc3)[nH]n2)c1 1823215553 VDBOISNFVRUXNA-GBXCKJPGSA-N 472.593 5.015 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3OC(F)F)n[nH]2)c(Cl)c1 1823266664 WQSCXPQGOVSINV-LJQANCHMSA-N 499.905 5.156 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)[nH]n1 1823420246 TUDAVNQQFOUCDT-QGZVFWFLSA-N 485.407 5.106 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(F)(F)F)nc4ccccc34)CC2)C1 1823700168 HNZIECDNNUDIQA-HSZRJFAPSA-N 485.550 5.453 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)CC1 1823751943 DYAMNUWSURCBPM-VZVHPENPSA-N 466.691 5.486 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1823753321 IKXOCSZYTHKQRY-XMMPIXPASA-N 484.681 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824162362 WOEJCLITGPYCTB-DHIUTWEWSA-N 488.028 5.179 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824449876 OUJJETGLHUJMCN-GBXCKJPGSA-N 494.598 5.239 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1824504244 NRXFRNAHWFXWHO-WMZHIEFXSA-N 485.024 5.424 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1824511018 YNCLEOCQMYCGOO-NFQMXDRXSA-N 496.598 5.456 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1824513298 YRHBVGUXTQCXEN-HRAATJIYSA-N 486.962 5.183 30 20 JKED CO[C@](C)(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](S)C(C)C)CC1)c1cccc2ccccc12 1824532447 DGZUHMOSXSFKNZ-ALTZYDRJSA-N 496.717 5.276 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1)c1ccc(O)cc1 1824633293 FHFBRUCUTORZSY-VWNXMTODSA-N 488.619 5.190 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c(C)noc2C)CC1)c1ccccc1 1825259356 DWNYYEJOTMNVHL-WUFINQPMSA-N 489.660 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)CC1 1826638914 BAWDQHJYVHDTKF-RUZDIDTESA-N 484.681 5.249 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1826691601 YDARZDJZQNMFGK-LJQANCHMSA-N 488.451 5.201 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166214 KTIKTDGZABECBZ-YOEHRIQHSA-N 451.057 5.106 30 20 JKED CC(C)(C)c1cnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cn1 1828905755 ZNASMOWEJNSEKW-DEOSSOPVSA-N 496.772 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C)cc2C(F)(F)F)CC1 1829066881 YRDQMDWSAALWQO-OAQYLSRUSA-N 467.576 5.270 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829451031 JKMZPYJMISOOBS-WBVHZDCISA-N 463.496 5.243 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829657141 KXYRWAOLEJGIKW-VQTJNVASSA-N 489.028 5.129 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829937910 UDFCJQMJSSWSOM-NZQKXSOJSA-N 462.556 5.707 30 20 JKED O=C(c1cncc(F)c1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602446 ZBGSSQXNVJUSPT-GDLZYMKVSA-N 495.598 5.168 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1830628543 KYEHCDSKXJUQJV-QSRYBZNWSA-N 481.596 5.446 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccncc34)CC2)c(Cl)c1 1830864392 IVOLPARTAMQOOZ-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1831445560 OXOOKGOOSJXJNS-BHDDXSALSA-N 464.984 5.275 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1832630157 GKEQSBWRNYKPTF-YNXQMJLESA-N 489.641 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CC1 1836614580 UVSGCZUWMOBQLN-MHZLTWQESA-N 478.677 5.265 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc4occc4c3)CC2)CC1 1838244085 PMJQDCMVSUOIQI-UHFFFAOYSA-N 494.708 5.096 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)CCCCCC(C)(C)C)CC3)CC2)c1 1838689883 AVZZMJPXEWHZCD-UHFFFAOYSA-N 481.681 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(OCC(F)(F)F)cc1Cl)C2 1844356688 DHLGAWPDNBHYSQ-UHFFFAOYSA-N 472.935 5.091 30 20 JKED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)C1)c1ccccc1 1845247283 LHMFPGSSYDHMAB-VWLOTQADSA-N 494.676 5.069 30 20 JKED Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C 16866700 QVHGOKQYHZDQPI-HNNXBMFYSA-N 451.621 5.112 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NCc2ccccc2)cc1 22730785 RZMIPTHPYAPXIR-UHFFFAOYSA-O 459.679 6.730 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C 23283304 PQRYPSPLWUUZJN-FQEVSTJZSA-N 498.612 5.074 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2OC)c1 25796154 WEPIUGASKYMXEG-UHFFFAOYSA-N 474.941 5.121 30 20 JKED Cc1nc(C)c(C#N)c(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)n1 29673873 PSOVUYHHIHIKHI-UHFFFAOYSA-N 489.601 5.553 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 32789220 IJUQGNWLSKYXGV-UHFFFAOYSA-N 465.579 5.048 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 72047170 ICNGTNJAYNBNPY-MDZDMXLPSA-N 456.329 5.399 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 106116178 DYPFSSCWQFMGBO-UHFFFAOYSA-N 457.921 5.762 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C 107806541 OZHVSMLLMHNCLR-UHFFFAOYSA-N 455.493 5.177 30 20 JKED CCn1c(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nc2ccccc21 195640038 HQSHQIXNMSKIAN-UHFFFAOYSA-N 456.571 5.432 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)nn2-c2ccccc2)cc1 195662661 SDYKYBIXOOFWSQ-JOCHJYFZSA-N 477.549 5.556 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)cc12 195741164 BZVVUBYVEMGMOQ-CQSZACIVSA-N 484.368 5.118 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)c1 302945700 IYCAUHVGLBMWNT-UHFFFAOYSA-N 459.855 5.860 30 20 JKED CC[C@@H](c1ccccc1)c1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)o1 303223704 VUVACUTWJDZZOE-RBUKOAKNSA-N 460.584 5.704 30 20 JKED Cn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 410080219 BYDUGIVSZHNRNW-UHFFFAOYSA-N 473.876 5.565 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(NC(=O)c4cccnc4)cc3)cc2F)c1 481742176 NCCICJXQQJBVAT-UHFFFAOYSA-N 495.514 5.245 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2cccnc2)C(C)C)nc2sc(-c3ccccc3)cc2c1=O 496533667 IAHNSZXULYNHMD-QFIPXVFZSA-N 490.654 5.139 30 20 JKED C=CCc1cc(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc(OC)c1OC 497340329 OGKIILZXTUHMFX-UHFFFAOYSA-N 488.510 5.085 30 20 JKED CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 500738134 KVGNIQPYEOGJHO-UHFFFAOYSA-N 457.530 5.206 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501420392 LPVLCRAKFNZBQA-GOSISDBHSA-N 477.561 5.170 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(NC(=O)CCC)c1C 502622381 MRNKWYRUSRJWLZ-UHFFFAOYSA-N 462.363 5.855 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](c2ccc([C@@H](C)CC)cc2)c2cccs2)cc1 502961777 LPWNCWNJUMJGDR-MHECFPHRSA-N 475.614 5.022 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)ccc21 503540372 PTULMMXJWCXCJQ-QFIPXVFZSA-N 459.571 5.527 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1 508141434 HMNWNDPYUMZVGV-UHFFFAOYSA-N 487.560 5.201 30 20 JKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(C(F)(F)F)c1 510245437 PZMDFAJCEPLTEG-LBPRGKRZSA-N 463.510 5.604 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)nn1-c1c(Cl)cccc1Cl 510310019 IMLHWXRAGOKUJG-GFCCVEGCSA-N 468.266 5.601 30 20 JKED N#Cc1cc(NC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)ccc1OCC(F)(F)F 510317965 HXWJXMAUCMAJNP-UHFFFAOYSA-N 460.387 5.147 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1nc(-c2cccs2)cs1 510385227 USDGIZLMYCZGKL-UHFFFAOYSA-N 487.607 5.098 30 20 JKED CC(C)c1ccc(CSc2nnc(SCC(=O)NCc3ccc(C#N)cc3)s2)cc1 510622839 ORPABTPIDNQWHU-UHFFFAOYSA-N 454.646 5.234 30 20 JKED COc1ccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Br 511362055 KGOKLNFGKDYMIE-KRWDZBQOSA-N 494.389 5.985 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 514522633 HHEYBKVYFUKAJQ-NRFANRHFSA-N 469.010 5.249 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC 515306442 BXZRVLCNCIFURS-AWEZNQCLSA-N 493.416 5.478 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 515577892 XYDUZKNKQXZSLI-UHFFFAOYSA-N 468.532 5.371 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 516539830 PYYZZFZDAVSXGN-CAPFRKAQSA-N 498.564 5.690 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(N2CCCC2=O)c1 519012407 OHIYSIGBWBFNDJ-FQEVSTJZSA-N 468.557 5.341 30 20 JKED CCOc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 519878242 BIPXRFNQSLCVPO-HXOBKFHXSA-N 461.949 5.210 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 520147985 XKWBYHVTLGLJEW-UHFFFAOYSA-N 476.374 5.624 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 520842462 WHXKBIJDZYNLBZ-JOCHJYFZSA-N 494.414 5.299 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 521024177 PSRMYEANHULBTC-NRFANRHFSA-N 458.533 5.528 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 589940438 XOVJBOPDHWBNJP-UHFFFAOYSA-N 463.950 5.232 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)ccc21 590880729 KUORUIVPNNERPD-GOSISDBHSA-N 471.504 6.023 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1 591501669 SZAVMTKPBWJMMC-SFHVURJKSA-N 478.593 5.955 30 20 JKED CCC(CC)C(=O)N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 603828987 DBXLEDMYKDLEMI-JOCHJYFZSA-N 452.986 5.108 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3sc4cccc(Cl)c4c3Cl)CC2)c1 604534191 QQOISLPCGBHVLD-UHFFFAOYSA-N 458.370 5.571 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604561818 GZWXZBQYSMWKNF-OAQYLSRUSA-N 493.361 5.886 30 20 JKED N#Cc1ccccc1S(=O)(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 608852416 CUIBYGIAYAXLHS-UHFFFAOYSA-N 465.918 5.246 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n1 609023692 RIQXXDFZQNWKRH-UHFFFAOYSA-N 454.555 5.294 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1occc1CSc1ccccc1 609061158 KQUXEROTWDWJIX-UHFFFAOYSA-N 454.551 6.583 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079940 OTBVTVGTFWYWEC-UHFFFAOYSA-N 487.991 5.258 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2F)c1 609103890 HGROVKZBLPVNNG-UHFFFAOYSA-N 474.492 5.040 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc12 609185428 YCRAJJARVRRKEC-UHFFFAOYSA-N 460.534 5.090 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 609209104 YAONSGBBAQDBIF-HSZRJFAPSA-N 457.921 5.649 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 609431102 RDKOQHIXGQGZBL-XMSQKQJNSA-N 484.581 6.210 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nnn(-c2ccccc2F)c1C(F)(F)F 624854648 GUYWNKUVWXBCKF-MYJAWHEDSA-N 492.317 5.065 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2cccc(Br)c2)o1 725760118 ZHHLGMDDADASDR-UHFFFAOYSA-N 455.337 5.147 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@@H](C)c2ccccn2)cn1 726110764 IHUKTYUTOHISAR-UUOWRZLLSA-N 498.612 5.173 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CC[C@H](C)OC)C2=O)cc1 726394966 XPDVFCKCOSZVLO-HRAATJIYSA-N 490.025 5.124 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726407431 RNEAYTKEKZSLLZ-QGZVFWFLSA-N 480.899 5.211 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726407955 WHEHQNQFQAHHDR-JOCHJYFZSA-N 499.036 5.297 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 726421241 OTNRLCSOBFCTEY-JUFWBNDOSA-N 496.702 5.073 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 727954124 WOXNUZSICAUJIG-DEOSSOPVSA-N 481.552 5.246 30 20 JKED N#Cc1c(NC(=O)COC(=O)C[C@@H](c2ccccc2)C(F)(F)F)sc2c1CCCCC2 728655406 VDPGOPIKBJSBHT-KRWDZBQOSA-N 450.482 5.107 30 20 JKED C[C@H](CC#N)N(C)Cn1nc(-c2ccc(Br)cc2)n(CCc2ccccc2)c1=S 728902228 LMTSENDXCHNJFR-QGZVFWFLSA-N 470.440 5.278 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730460920 IRFISNCDPLKLTJ-FQEVSTJZSA-N 475.536 5.781 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)N1C1CCC1 730461543 FMPJOEFIBKXVOP-IBGZPJMESA-N 486.569 5.386 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(C2CCC2)C1=O 730463375 WSCKCPBBXQWJLO-HXUWFJFHSA-N 487.412 5.686 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2c(C)cccc2C)ccc1OCc1cccs1 730567270 RTJZEORIPLOTHD-UHFFFAOYSA-N 480.615 5.294 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(NC(=O)OC(C)(C)C)c3)n2)cc1 730685593 AJSUDJINYOWRKJ-KRWDZBQOSA-N 451.523 6.095 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ccc3[nH]c(C)c(C)c3c2)cc1 730720751 UZCPYMRMXHDCBI-QHCPKHFHSA-N 498.612 5.044 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)COc1ccc(Cl)c2ccccc12 731062051 GRNJJLYPPMXJPP-INIZCTEOSA-N 468.962 5.306 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 731072379 GRCWQGVLCHQGFY-KBPBESRZSA-N 467.374 5.337 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731304247 NAYCYPHSGOIKSI-LJQANCHMSA-N 489.475 5.165 30 20 JKED C=CCOc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 731360635 JWRFSIMKXIBBSM-HXUWFJFHSA-N 461.509 5.044 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4cccc(OCCN(C)C)c4)c23)cc1 743525437 DRHBBFDSCTYYCE-UHFFFAOYSA-N 461.591 5.143 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1 744046269 XEISHLVDAAQYGM-UHFFFAOYSA-N 494.620 5.790 30 20 JKED CCOc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4F)n3)oc12 746006322 FPQCJVPZTALSOE-CSKARUKUSA-N 468.481 6.147 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)nnc1-c1ccc(Cl)cc1 747363102 BVFUJJCPSRDLBP-HDICACEKSA-N 498.052 5.129 30 20 JKED Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2c1 749148774 JFZQOOQALGWRJN-UHFFFAOYSA-N 474.564 5.573 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)cs1 750917259 RNSGEWCCMJXPNJ-XNTDXEJSSA-N 490.984 7.008 30 20 JKED Cn1c(SCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)nnc1-c1cccs1 792728782 NZCRIQJAWQTUCH-IEEVTGIFSA-N 495.699 5.436 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O 799212914 ZHRVTHQXIURPED-GOSISDBHSA-N 483.487 5.137 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C(C)C)cc1 799214108 ASVMWUONFFXDKP-FQEVSTJZSA-N 484.419 5.166 30 20 JKED Cc1ccc(-c2nnc(S)n2N=Cc2cc(Br)ccc2OCc2ccccn2)cc1 818220242 FLTUQRQVRODVMJ-UHFFFAOYSA-N 480.391 5.161 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N([C@H](C)c2cccnc2)C1=O 837707632 YNHXQFQVOWOHBZ-OPAMFIHVSA-N 495.004 5.465 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3cccnc3)C2=O)c1 837738487 UFXULZUKONOMEW-WZONZLPQSA-N 493.032 6.073 30 20 JKED COC1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cc2C(F)(F)F)CC1 857446666 HJGLLFRJFDEGQL-UHFFFAOYSA-N 464.381 5.731 30 20 JKED N#Cc1ccc(C(=O)NCc2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)cc1 904671168 URTMPUDNKITECS-UHFFFAOYSA-N 499.836 5.398 30 20 JKED CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1 904691394 JGALBOHKHGNSGZ-IBGZPJMESA-N 482.924 5.362 30 20 JKED C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S 913058141 BHKZZKHYWZKKAR-UHFFFAOYSA-N 458.012 5.478 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(COCc3ccccc3)cc2)cc1 915764243 PJGGCIGHBKZTTF-GDLZYMKVSA-N 489.575 5.314 30 20 JKED CCCN1C/C(=C\c2cc(Cl)c(O)c(OC)c2)C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)C1 916137744 RGYLZYOBJYCIIV-KGMKFKQSSA-N 478.372 5.184 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccccn3)C2=O)cc1Cl 916206761 VIHOELDOCRFQJB-OAQYLSRUSA-N 482.968 5.343 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916210951 KLQYCTHLQWCIRX-LJQANCHMSA-N 484.921 5.002 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 916883202 HQDHJHBMJRWXSS-FGZHOGPDSA-N 493.535 5.210 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3ccccc3)cc2)cc1 916942076 GLKOETPFIYNIJA-QHCPKHFHSA-N 458.539 5.117 30 20 JKED COc1ccc(CSCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 916975454 ZWBWYPAMSMAYRP-KRWDZBQOSA-N 453.545 5.145 30 20 JKED C=CCN(Cc1ccccc1F)Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S 918182800 ULYDLXAYOANEAV-UHFFFAOYSA-N 451.571 5.024 30 20 JKED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918488941 HVWOBKIFYTWXTH-AWEZNQCLSA-N 473.337 5.454 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1C 918809668 YJXPWTFGKQHZIU-UHFFFAOYSA-N 475.159 5.416 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nncn3-c3ccc(C(C)C)cc3)n2)cc1 920140667 ASAWKHKYMDKOTA-OAQYLSRUSA-N 489.626 5.491 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 920144149 XWESTASCNVEIOA-LJQANCHMSA-N 499.552 5.031 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OC2c3ccccc3Oc3ccccc32)CC1 920152210 SNHPWANXCPYNNL-UHFFFAOYSA-N 467.481 5.461 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 920868658 LDLQPMLVDNKWGZ-SBUREZEXSA-N 467.635 5.163 30 20 JKED N#CCCn1cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920907434 CWVSWIMQANXTGX-UHFFFAOYSA-N 480.480 5.079 30 20 JKED C#CCNC(=O)c1ccccc1NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 921162771 OYCPEFJIJSFVRK-CAPFRKAQSA-N 481.577 5.237 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)cc1 929064114 AFPVXAUWTDSFSA-UHFFFAOYSA-N 478.621 5.488 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c(Cl)cccc45)CCC3)cc2)cc1 1785882777 RXASPSOGCPWZFZ-UHFFFAOYSA-N 483.959 5.078 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC(F)(F)C4)CCC3)cc2)c1 1786038709 MPHKOLHMXCOZDP-HXUWFJFHSA-N 451.517 5.060 30 20 JKED Cc1nc2cc(C(=O)NC3(c4ccc(NC(=O)[C@@H](S)C(C)C)cc4)CCC3)ccc2s1 1786393657 KLKWXSLQEWAYTF-NRFANRHFSA-N 453.633 5.307 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C(F)(F)F)c3)CCC2)cc1 1786395953 OLRUSQCUFVRKEH-OAQYLSRUSA-N 479.568 5.122 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C\c4c[nH]c5ccccc45)cc3)CCC2)cc1 1786780984 LKHWFYCAZJDIFB-GDNBJRDFSA-N 474.564 5.695 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)no1 1788649568 SGDVRRBBTVMSMJ-ZHACJKMWSA-N 463.559 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccc(F)cn34)CCC2)cc1 1789625765 ZAWRTCAFCMEWFF-UHFFFAOYSA-N 462.569 5.522 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)ccc4F)cc3)CCC2)c1 1790647326 LGFXRSMQMCBUMI-KRWDZBQOSA-N 457.505 5.220 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792283033 BHNCTYSQYQLZNB-NFQMXDRXSA-N 483.653 5.370 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cc(F)cc(F)c1 1796500437 FDEHXVXQJZXKCJ-KAOXLYBCSA-N 465.544 5.047 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2o1)c1ccc(C#Cc2ccccc2)cc1 1797487602 AHUFSVDUIBNJRR-LGKQTMLJSA-N 474.560 5.398 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Br)cc2s1 1798085880 VRABPQJGQQJNQQ-RUGDWHBFSA-N 461.425 5.128 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)c1 1799293941 SVYLZIXOZNWCJA-KOUNCHBCSA-N 499.014 5.204 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)c(F)c2)cc1 1799337487 UBEKFHZBBBIMCY-OOSCYNTBSA-N 481.571 5.249 30 20 JKED CC1(C)CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)CC1 1800234311 CUJHRNZWQDJBMO-KOUNCHBCSA-N 475.555 5.435 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cccc4c3oc3ccccc34)[C@@H]2c2cccnc2)C1 1802412567 MQPBALXRFYSYNM-FQRUVTKNSA-N 465.553 5.267 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1802495326 BKPMOUQUVMQXAV-XRNNXZOBSA-N 477.674 5.694 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)C3)[C@H]1c1cccnc1 1802503027 KENQPLRULPOXNY-VWNXMTODSA-N 475.633 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1802946899 QOSBZAHNZDLTSH-IWVFXYMLSA-N 482.628 5.037 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1 1804136881 OUIXQGRICYCTBK-YXOJAJARSA-N 470.652 5.044 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4CCC[C@@H]5CCCC[C@H]54)CC3)C2)cc1 1804759506 ZKSUBROHUONURM-OYUWMTPXSA-N 475.677 5.329 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)ncc3Cl)CC2)C1 1804858341 ASLBHDGNQQGUHF-UHFFFAOYSA-N 496.877 5.335 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1)c1ccsc1 1805423537 XXCFFTQDVBXLTE-XCZPVHLTSA-N 491.616 5.176 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1)[C@H]1CC=CCC1 1808137578 BUFLTYSYWWVZEX-NPBSGPTKSA-N 489.619 5.157 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c1 1808544230 RJYPMQOLFAXWBS-DPIKVRQVSA-N 470.617 5.165 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CC1 1808889114 LISFUJMMUTUZPP-LSYYVWMOSA-N 495.784 5.745 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1810175856 OMKTYUTYPHTOAC-FKCDAAJZSA-N 463.597 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccccc3C)C2)CC1 1810351739 GGAVRHXCMABHPN-XMMPIXPASA-N 471.645 5.670 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C2(c3ccccc3)CC2)[C@H]1c1cccnc1)c1ccccc1 1810441535 RUUAVLCCHQQFSQ-FGUUHEIUSA-N 491.635 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccnc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1810494372 DXPUHPLSQQKYNE-ISKFKSNPSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3scnc3c2)[C@@H]1c1cccnc1 1810498724 PITNBSFIDRMUMG-NZQKXSOJSA-N 462.619 5.003 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1811950981 OJCNVNFDUPNAFX-YTMVLYRLSA-N 480.612 5.029 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@H]1c1cccnc1 1812054282 IHEHEEQVCWFAOY-AVHWCYKHSA-N 489.566 5.559 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1)C(F)(F)F 1812682490 QMCIVKXOWPLHKK-VWNXMTODSA-N 499.577 5.416 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1813228777 XYYHRBBAMXUPOD-KCWPFWIISA-N 492.063 5.446 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1813827514 LNRGFVVFRJJEPE-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)[nH]n2)C1 1814396597 KQGCQGFNMHUQBX-AOYPEHQESA-N 490.554 5.880 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCNC(=O)OC(C)(C)C)n[nH]1 1815486858 NXGFDJSVDFDBBI-FQEVSTJZSA-N 489.661 5.089 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c1Cl 1817826495 XHAVPQQBNSOIIJ-QGZVFWFLSA-N 479.949 5.362 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)n[nH]2)c1 1818994900 MKKXHAPCKMSVLZ-GYCJOSAFSA-N 484.535 5.277 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)[nH]n1 1819309957 LXPHHKRIIUOTCE-PZJWPPBQSA-N 474.527 5.432 30 20 JKED CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1820606866 ICZBVIKCLKTSMW-MHECFPHRSA-N 455.562 5.219 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)cc2s1 1821440355 GYGMNRYEECTEDA-DVBCCOPCSA-N 493.614 5.067 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occc4c3O)n[nH]2)c1 1821503817 PWYDNDKATBSUOF-AOMKIAJQSA-N 483.528 5.108 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4nscc34)n[nH]2)c1 1821520238 DJZNDZUHXUKOMJ-HJPURHCSSA-N 484.585 5.266 30 20 JKED CC(C)CN(CC(C)C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC#N)[nH]n1)c1ccccc1 1821757460 PTRHMRBLCMSHOA-SHQCIBLASA-N 492.668 5.061 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)[nH]n1 1821922075 YPTARUVDTPUAHM-VLIAUNLRSA-N 484.398 5.172 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)[nH]n1 1821926425 QUBYFOHQQHJLTC-GUVPVLFASA-N 471.399 5.090 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1823257709 UHBUNCMKYZZWBU-HXUWFJFHSA-N 498.370 5.216 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(F)CCCC=C2F)n[nH]1)c1ccccc1 1823590787 RDCNDUJNHDCGGX-ZVUIFXONSA-N 480.559 5.345 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)CC1 1823750624 CLNGEGBKJFVKIJ-PKTZIBPZSA-N 489.701 5.068 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1823812548 TVXJWKCGRCBZOD-NDEPHWFRSA-N 498.671 5.025 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 1824054476 VTTAAXOMZKOKKT-RUZDIDTESA-N 464.009 5.078 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(Cl)cc2Cl)CC1 1824137922 SAEIVUYTXNGNMP-NRFANRHFSA-N 464.437 5.390 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1824957474 GXOKKYZYTJNFLA-NRFANRHFSA-N 474.070 5.282 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825574298 RPNWRMDEFTVKDY-BDYUSTAISA-N 477.624 5.823 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)c2[nH]1 1828208462 QBFLUFRSJYDERT-MHZLTWQESA-N 482.628 5.214 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 1828830367 UUENCJWQZONRJX-GMAHTHKFSA-N 459.030 5.350 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1Cl 1829689469 GQGVXTAGOWBQRL-QFIPXVFZSA-N 495.410 5.284 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)c1 1829958769 KQOCWCRKPBIKBC-HSZRJFAPSA-N 487.497 5.263 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)cc1 1830024131 JGNUOBMDPVPKSB-RUZDIDTESA-N 464.009 5.078 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536015 ZJBVNHGXGSKCDJ-UYAOXDASSA-N 474.564 5.032 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1830627435 DNLVTPJZOKLKIC-SANMLTNESA-N 489.019 5.434 30 20 JKED CCCCC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1831464291 BCTQLDIDZAGXHY-CPJSRVTESA-N 455.618 5.076 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832720435 VCBYBLIKWNGSQZ-LJQANCHMSA-N 489.896 5.799 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)ccc3OCC)CC2)CC1 1838373584 XTARBPPFQOTRCG-QHCPKHFHSA-N 489.056 5.119 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1)c1ccccc1 1838416795 OATFJQWRPJNAMN-HHHXNRCGSA-N 493.047 5.149 30 20 JKED Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cccc(C#N)c3Cl)C2)c2ccccc12 1844736557 NRQRHNZQTXFRLH-UHFFFAOYSA-N 471.988 5.123 30 20 JKED C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)C1 1845048627 DZTOZTMKPKEFDL-ITAUSPCMSA-N 477.624 5.453 30 20 JKED C[C@H](Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)C(=O)Nc1ccccc1C#N 10095249 FRHGRRXMTIWYDG-NSHDSACASA-N 465.482 5.171 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccc(OC)cc1 10406071 MHUOQVTWZBYINW-HSZRJFAPSA-N 476.627 5.199 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113207 TWRDPDXSUYFFOT-UHFFFAOYSA-O 478.009 6.556 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(Cl)c(Cl)c1 11159068 GSOMXZKUHZTKMI-UHFFFAOYSA-O 466.360 6.172 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc2scc(-c3cccs3)c2c1=O 11382579 AJHNXXOYOKKUNU-CQSZACIVSA-N 485.631 5.481 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2occc2COc2ccccc2)n(C2CCCC2)c1C 12189821 ITOJBYWUGGBJLX-UHFFFAOYSA-N 461.518 5.059 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 16506969 RQQXBWCWTITSPM-UHFFFAOYSA-N 498.652 5.205 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCOc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 19316914 MIAIZABRPHFZGU-NRFANRHFSA-N 462.619 5.161 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccccc2Cl)cc1 28793589 UIWQPLJXUOTMIO-UHFFFAOYSA-O 469.030 5.778 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 29200781 LQPCILKGTONDQO-UHFFFAOYSA-N 482.949 5.959 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c2)c1 32288502 MMEWEPHHAJZYGS-UHFFFAOYSA-N 483.549 5.190 30 20 JKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc(N2CCOC2=O)c1 60203557 NVXMYGFGBCEHGK-SDNWHVSQSA-N 453.473 5.531 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1Cl 255572218 IBGOYISUZRTVLN-GOSISDBHSA-N 474.369 5.747 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1cccnc1 302764874 BVPRUBOAFDAIGY-SFHVURJKSA-N 473.627 5.797 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)cc1 302933576 DZCOKJQUGUMKBQ-UHFFFAOYSA-N 464.978 5.276 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 303234333 YVHKFSFYPQZRFV-XMMPIXPASA-N 499.567 6.022 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2nnc(-c3cc(Br)ccc3F)s2)c1C#N 500893405 PTPYIMQAPLUJDK-UHFFFAOYSA-N 490.383 5.225 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3COc3ccccc3)CC2)c1 502662775 ATFIWQNBVRKGTE-UHFFFAOYSA-N 454.530 5.020 30 20 JKED N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)c2ccccc2I)c(F)c1 504218799 LTCGINRRGOWUSO-NRFANRHFSA-N 460.265 5.320 30 20 JKED Cc1cccc(CN(Cc2ccco2)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 506997603 BXYOQBMISYPGQL-UHFFFAOYSA-N 470.529 5.153 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 507957051 QVTIHNHQGDUWIG-UHFFFAOYSA-N 452.301 5.190 30 20 JKED CCOc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 509616621 HEQWGVKDXOQDRN-GOSISDBHSA-N 489.528 5.161 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1F 510012721 ZIIWKLGJCNJEDH-XUZZJYLKSA-N 473.939 5.779 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510043266 IOGQJBFRHCQZQA-VWLOTQADSA-N 487.003 5.730 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 511735451 CWQIYLVJOJXSSN-UHFFFAOYSA-N 455.495 5.179 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-c4cc5ccccc5o4)cc3)CC2)cc1 512242012 IERDTWYOTOWQBR-UHFFFAOYSA-N 485.565 5.011 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 512282632 MPHVGDPMQGSKBL-CYBMUJFWSA-N 485.300 5.337 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)s2)cc1 513736683 IUYFIAWYAKXROR-UHFFFAOYSA-N 457.993 5.664 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)c2ccco2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515438077 NVZBWIGPIPBSOP-UHFFFAOYSA-N 474.498 5.396 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 517180262 ZVZUWWYAUZXHCW-DEOSSOPVSA-N 476.536 5.174 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 518754283 YIZJQENSVZABHV-HSZRJFAPSA-N 457.555 5.220 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)sc2nc3n(c(=O)c12)CCCCC3 518871065 SRPGQPMQJAMNCC-CYBMUJFWSA-N 496.564 5.385 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)c2)cc1 519199162 QOAAARMVBHUGCT-UHFFFAOYSA-N 474.524 5.125 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 520214235 LIEZBKWYBOYHOC-JOCHJYFZSA-N 472.608 5.269 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1C 520470406 DMAMLJIQONPBKQ-UHFFFAOYSA-N 478.556 5.977 30 20 JKED COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 520962026 MTDXUWQKEIWGCA-QGZVFWFLSA-N 483.490 5.454 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nnn(-c2ccc3ncccc3c2)c1C 521324683 DRCJJHUUIBYMAD-UHFFFAOYSA-N 474.524 5.135 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 521807464 MOYKMTCKATXBIX-KUHUBIRLSA-N 462.402 5.690 30 20 JKED CC(C)COC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1 523244798 GZHLYAYGXLZOCQ-GMAHTHKFSA-N 479.964 5.057 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)c1 524122658 JLEBGOWPDILTRV-JOCHJYFZSA-N 454.530 5.020 30 20 JKED O=C(Nc1cc(F)ccc1N1CCCCC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588953470 MMVBXJKLCDOGBJ-NHAGDIPZSA-N 455.418 5.847 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccccc2F)n1 590450326 XINRHKRHGMOOMN-UHFFFAOYSA-N 456.543 5.737 30 20 JKED C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CSc1nc2c(cc1C#N)CCCC2 598952894 XKIGQARBSWKUEC-LJQANCHMSA-N 484.625 5.396 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)cc1 603438679 MWRMSGMXUGNGSR-UHFFFAOYSA-N 499.617 6.071 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1 603595347 FGKIJPYOFFYHSU-UHFFFAOYSA-N 481.478 5.148 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cn1 603828931 FODLVWBNCQUEKZ-UHFFFAOYSA-N 481.512 5.653 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)c2)cc1 603923646 JVOPHVABCLHPRL-UHFFFAOYSA-N 451.482 5.429 30 20 JKED CN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604156192 SJVPEPLQWXFVMI-GOSISDBHSA-N 470.331 5.385 30 20 JKED CN(Cc1nc2ccccc2s1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604162485 DNTJLUFUTPOXRZ-LJQANCHMSA-N 474.973 5.202 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604461882 OQNFWEHHTAWAMD-UHFFFAOYSA-N 487.947 6.498 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(Cc3c(F)cccc3Cl)o2)c1C 608929797 SCZRWTNUUKCCAV-UHFFFAOYSA-N 458.946 5.109 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(C(F)(F)F)c1 608995930 MHYSPRCSISZZRK-OAHLLOKOSA-N 477.556 5.653 30 20 JKED COc1ccc(CSCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1[N+](=O)[O-] 609060778 DSQNAPKZFDTIMR-UHFFFAOYSA-N 477.542 5.234 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 609061306 ZDBLPNIWSLQFSS-UHFFFAOYSA-N 480.014 6.465 30 20 JKED C[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)NC(=O)C1CCCCC1 609062318 LYNBOROAIMAVEY-KRWDZBQOSA-N 453.970 5.204 30 20 JKED Cc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1-c1ccc(Cl)cc1 609173178 LUHZPYNTBIAIGM-VWLOTQADSA-N 456.933 5.408 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C 609206870 KDDGOCNKGRYZES-HSZRJFAPSA-N 468.517 5.623 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)cn2)c1 609342930 YZADWRPLYMRDLX-UHFFFAOYSA-N 466.835 5.170 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc2cc(Br)ccc2c1 609371042 VLJANHZTBZBHCX-OAHLLOKOSA-N 455.377 5.872 30 20 JKED COc1ccc(-c2csc(NC(=O)[C@H](C)Nc3ccccc3SC[C@H](C)C#N)n2)cc1 609387273 WFKCQPNEKZLTEH-CVEARBPZSA-N 452.605 5.510 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 611810026 UVNCXGRZOPTFSM-UHFFFAOYSA-N 459.468 5.113 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OCc1cscn1 620304268 QIPGEEQPOUHRKG-HNNXBMFYSA-N 483.521 5.622 30 20 JKED O=C(C[C@H]1S/C(=N/CCc2ccccn2)N(CCC2=CCCCC2)C1=O)Nc1ccc(F)cc1F 726111416 KBCWHYCLMYWGQW-YEPMHUSLSA-N 498.599 5.122 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 726396196 CWZJUOCAYRZLKJ-UZUQRXQVSA-N 479.577 5.364 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(C3CCCC3)C2=O)cc1OC 726421383 MTWBMCQSUMLXFQ-OVRHBKGWSA-N 487.647 5.098 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CCc2cccs2)C1=O 726421943 QVKJPGBIUZXCMB-NDKFBNENSA-N 499.683 5.451 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)c(F)c2)cc1 726570861 MMVCYRDKBPSYQV-UHFFFAOYSA-O 499.006 7.004 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 726571433 IOEPWLPKDXDOBF-UHFFFAOYSA-O 493.996 5.992 30 20 JKED CC1=C(C(=O)N(C)C)[C@@H](c2cccc(OCCCC#N)c2)NC(=S)N1c1cccc(C(C)C)c1 726764554 HWQRSCMTPSURKS-RUZDIDTESA-N 476.646 5.291 30 20 JKED CC(C)CC(=O)N[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 727627698 PAJNQTMVGZZYMF-KNQAVFIVSA-N 451.979 5.543 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c1 727650360 JNIJEZRHIJZHBH-VWLOTQADSA-N 498.608 5.366 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1OC 728006091 RGFHAWLAUYGUFU-PTNGSMBKSA-N 460.505 5.232 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCc3csc(CC(=O)Nc4ccccc4)n3)c2)cc1 728669705 SDPATMUJCFRDTG-UHFFFAOYSA-N 469.522 5.345 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](c2ccc(F)cc2)C2CCC2)cc1F 729145127 IESJNLWXDBWKBY-UPVQGACJSA-N 499.583 5.115 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)c1OC 729432427 HVOAZUAJFBIMQF-LJQANCHMSA-N 495.366 5.408 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1 730565226 LUUQYEOXKNLEND-UHFFFAOYSA-N 492.004 5.551 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)c1 730964325 SIYOUEJIXMRZGO-UHFFFAOYSA-N 466.275 5.144 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(Cl)c2)cc1 731305005 DREZJSZTPQNGPS-JOCHJYFZSA-N 495.988 5.215 30 20 JKED COc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2)ccc1C 731306257 AAYMSRSAAGZKNU-XMMPIXPASA-N 489.597 5.178 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC(C(=O)Nc3ccccc3)CC2)c1=S 732537105 FSRCSNDEHLKKCK-UHFFFAOYSA-N 498.052 5.141 30 20 JKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(SC(F)F)c(OC)c3)cs2)cc1 746347376 ZIVWEPGKWRCWAR-WTKPLQERSA-N 463.527 5.950 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCc2nc(C)c(C)o2)ccc1Cl 746537767 HQRMNZHWCSOFLG-UHFFFAOYSA-N 495.384 5.337 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cscn3)C2=O)cc1 747598272 AIARBLDCVOGXSW-QFIPXVFZSA-N 494.642 5.319 30 20 JKED COc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OCC(F)(F)F 750921557 KXYLUHZHBUICTL-UHFFFAOYSA-N 473.476 5.265 30 20 JKED CC(=O)N1CCc2c(sc3nc(-c4ccc(OCC#N)cc4)cc(-c4ccc(C)cc4)c23)C1 753917527 SGAJTIXFLOTPJK-UHFFFAOYSA-N 453.567 5.746 30 20 JKED CC[C@@H](C)CCCCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nc2ccccc2c1=O 792556656 OXVACVKLSPEQGU-LJQANCHMSA-N 487.629 5.139 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)nc(O)c2C#N)cc1 802831849 UHSQKNBHUIZOKJ-NSHDSACASA-N 475.357 5.156 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3cccnc3)C2=O)cc1 837705933 AYNWYMZDWBANCO-VGSWGCGISA-N 479.005 5.765 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2OC)c1 838486211 IEOFRBQBQCCCAI-QHCPKHFHSA-N 493.560 5.003 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccc2)C1=O)Nc1ccccc1F 838545391 RFAJOPHSAJXEEZ-OAQYLSRUSA-N 469.488 5.264 30 20 JKED CC1(c2nc(-c3cccnc3Oc3ccccc3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 904450354 BENYTXUBYZCQKC-UHFFFAOYSA-N 471.948 6.007 30 20 JKED N#CCCn1ncc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c1-c1ccccc1 904507957 LFXHXBQCSYJDER-UHFFFAOYSA-N 452.449 5.507 30 20 JKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104174 MOEYKTGTKYEPBT-IINYFYTJSA-N 451.451 5.580 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)c2C#N)C1 915824759 IIEJBPZAKQTMMS-CYBMUJFWSA-N 469.998 5.672 30 20 JKED COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1 916205240 MZOXFRPNPTUCMW-HSZRJFAPSA-N 477.561 5.037 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccccn3)C2=O)cc1 916207761 KRZDIJYYYHYVJG-QHCPKHFHSA-N 458.587 5.167 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1ccccc1C(F)(F)F 916210401 CZUFHLMKYBDMDS-LJQANCHMSA-N 473.476 5.459 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)c1 916213135 ZPIZIIBOVYZBDR-OAQYLSRUSA-N 499.976 5.111 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccco3)C2=O)c1 916217863 XQFHNBURADFXGQ-QHCPKHFHSA-N 493.585 5.074 30 20 JKED COc1cc(C=NNc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916255266 NNUGDBSCPXGTLQ-UHFFFAOYSA-N 457.452 5.486 30 20 JKED CC(=O)N(c1nc(C=NNc2cc(C)c3cc(Cl)ccc3n2)cs1)c1ccc(F)cc1F 916543469 DCXWJRJUMOGAHL-UHFFFAOYSA-N 471.920 6.062 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2N2CCCC2)c1 916565215 IVCNRVRNTPWUHP-UHFFFAOYSA-N 496.032 5.574 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)N1CCCCC1 916708358 VUVKJCBNFIQPLC-KAYWLYCHSA-N 468.601 5.699 30 20 JKED C=CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl)c1ccccc1 916828819 QOUGPRGMUXNFLJ-UHFFFAOYSA-N 470.978 5.007 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1 916946279 PGQMUFGOSKVDJT-SFHVURJKSA-N 474.369 5.785 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1SCc1cccs1 917505082 JNOHWXCAGMRSRT-SFHVURJKSA-N 466.584 5.367 30 20 JKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c2ccccc12 917560006 PPORFEDWNIMXEA-LCYFTJDESA-N 462.958 6.539 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccsc3)C2=O)cc1OC 917664037 BCBAWLZJEGZFQK-JOCHJYFZSA-N 495.626 5.234 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917677795 XHELBBAIMVPTDC-GVAUOCQISA-N 490.673 5.199 30 20 JKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cnc(-c2ccccc2)nc1 917962892 VOTANBKDCSNGMX-VWLOTQADSA-N 480.593 5.780 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 918110087 XQHYCZKEWUIDNX-FQEVSTJZSA-N 450.542 6.334 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cn1c(C)c(Br)c2ccccc21 918487540 OSRSXVRWQWZLEO-LJQANCHMSA-N 466.379 5.185 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(CC(=O)NC3CCCC3)CC2)c1=S 920085703 BKSUUTMSYKBWFK-UHFFFAOYSA-N 474.074 5.039 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 920203002 AYGSAVGBWCDADM-RUZDIDTESA-N 495.579 5.028 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c1 921251679 AMBDPBMOZOCNIR-PXNSSMCTSA-N 493.551 5.231 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)c1 1786040805 RKNCZLXSOPQCIV-UHFFFAOYSA-N 492.501 5.353 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786175968 LQXZSXGAWSNUDO-WOJBJXKFSA-N 456.558 5.122 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccncc4)cc3)CCC2)c1 1786770438 JMAORRWIJGJLQU-LJQANCHMSA-N 470.598 5.249 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(C(C)(C)C)cn4)cc3)CCC2)c1 1788884155 VCQMISMEVZWVMY-IBGZPJMESA-N 481.600 5.463 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccccn34)cc2)CCC1 1788994797 UIPUQNDSZBSBEA-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4cncn4c3)CCC2)cc1 1789508009 ACDYKQMKNSBJBQ-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789993789 ZXQGLYZGGAVMII-QHCPKHFHSA-N 494.595 6.339 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccsc4)CCC3)cc2)c1 1790072666 LVPXOQYRZZRVNV-UHFFFAOYSA-N 459.571 5.009 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5s4)CCC3)cc2)cc1 1790290064 LGSSIRCYDVVCLP-UHFFFAOYSA-N 452.539 5.229 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)F)c4)CCC3)cc2)cc1 1790703702 ZZLMPBIIFYJMGM-UHFFFAOYSA-N 460.484 5.147 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5[nH]ccc5n4)CCC3)cc2)c(Cl)c1 1790768048 ZXNDQYPXWIUWEE-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(OC)cc(C(F)(F)F)c4)cc3)CCC2)C1 1790817238 PSPVKIQHKYNYNO-UHFFFAOYSA-N 458.480 5.428 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3csnc3C)CCC2)cc1)c1ccc(O)cc1 1791641974 NMNBFGLRQGNJAB-FQEVSTJZSA-N 473.598 5.102 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)c1 1792122711 UOZWMFIQWNOGJT-IBGZPJMESA-N 482.540 5.212 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)cn4)CCC3)cc2)c1 1792124850 MNVJLFJTRQGEKA-KRWDZBQOSA-N 458.949 5.424 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(Cl)c4OC)cc3)CCC2)c1 1792147524 YDWQSUGAQVGSKB-UHFFFAOYSA-N 489.959 5.290 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)COc5ccccc5C#N)cc4)CCC3)cc2c1 1792240828 UTXWHOCTPLDFLX-UHFFFAOYSA-N 495.535 5.140 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1798339485 XGLGQVOKALRLQJ-YVSFHVDLSA-N 455.813 5.667 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(OC)cc3)CCC2)[C@@H]1c1cccnc1 1802499741 IQMDAAZDNCTSGE-JYFHCDHNSA-N 489.660 5.210 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1802500386 NGNDAMJKWMPJCN-NZQKXSOJSA-N 498.549 5.284 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1802635785 YNVPQNVGCHZLFC-NUNAXRQHSA-N 498.545 5.943 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1803084498 QSGXWCIBVXEANX-YKSBVNFPSA-N 494.060 6.038 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1807848227 XZYOLXWOMAICFI-ABYGYWHVSA-N 494.639 5.540 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1809100136 BYDXZHSLEBNBPY-XUZZJYLKSA-N 474.630 5.088 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)c1 1809621506 BCAFAWUIHLWEFZ-YTKABQPESA-N 484.644 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1810175297 VCAZFUKGIUCHNY-CQOQZXRMSA-N 496.449 5.241 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(OC)c3)C2)CC1 1810347030 RIWUIEASCFZEGO-VWLOTQADSA-N 487.644 5.370 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810534851 FZXNOBDKGGVMGH-DGWZTRNLSA-N 477.674 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1811057002 PHZPVEAVNQCNAK-LADGPHEKSA-N 488.657 5.517 30 20 JKED CC(C)/C=C/C(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811252131 SLSGQAXQGCUYRD-XDOVBIPBSA-N 477.608 5.013 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)[C@H]1c1cccnc1 1812591375 GFOXNASKQYHRRA-HCYUJWNOSA-N 492.019 5.429 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1812696534 VSNNREFUVFHELP-GGBSJPMNSA-N 469.746 5.355 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1813227851 YPLGWPYPSTVKQQ-DVECYGJZSA-N 480.033 5.463 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1813977089 YOGFOOOJNJFXEQ-BEVDRBHNSA-N 499.986 5.028 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)CC1 1814381646 XWPVTRDJXFQULM-ZFJSRUIDSA-N 461.610 5.123 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)[nH]n2)C1 1814397705 SUWANBMWQBPZRG-QGZVFWFLSA-N 451.329 5.128 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)[nH]n1 1814442807 VYKUUBXHYLGACN-JOCHJYFZSA-N 452.599 5.036 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)n[nH]1 1815151655 KAKPACPDHNYJAJ-MQSCRBSSSA-N 464.610 5.207 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(C)=O)n[nH]1 1817021211 CSVODPHHCJWRJB-FPOVZHCZSA-N 477.650 5.066 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4cccc(Cl)c34)n[nH]2)c1 1819224519 APMJHKIIWHVYHX-OAQYLSRUSA-N 490.926 5.175 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4cccc(Cl)c34)n[nH]2)cc1 1819224733 MFMCAWCMIXMFQT-JOCHJYFZSA-N 486.963 5.230 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)[nH]n1 1819556599 GYINZJPMAMZCRI-IBGZPJMESA-N 458.990 5.370 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccoc2Cl)n[nH]1)c1ccccc1 1820392691 IPHROVURBJLGQK-WIYYLYMNSA-N 464.953 5.159 30 20 JKED Cc1cccc(Cl)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1821144788 HWITWCPWZMLCSG-NRFANRHFSA-N 461.953 5.057 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCCC(=O)OCc2ccccc2)n[nH]1 1822253670 LHXOJCDKPYARJX-DEOSSOPVSA-N 494.636 5.452 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cc4ccccc4n3C)[nH]n2)c1 1823212402 SZPGGQNQLMWJQK-AFMDSPMNSA-N 494.599 5.077 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)cc2Cl)n[nH]1 1823244622 YJBKSJYLMONGBW-NRFANRHFSA-N 456.974 5.146 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)[nH]n2)cc1C#N 1823290893 GCSSYVQTJHNBRW-DHLKQENFSA-N 489.551 5.085 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823309063 IYKYSEJGMUJBLB-YVEFUNNKSA-N 485.799 5.267 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823313316 ZATNILVLABSUDF-DYVFJYSZSA-N 479.806 5.344 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1 1823684610 AGTRNBVBIJPXOD-RUZDIDTESA-N 481.999 5.217 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824248360 UWTQWBVLJDMOBE-ZPZUNKDASA-N 475.073 5.290 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1824507912 RZKQFTITLQJXKE-YADARESESA-N 491.657 5.274 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1824535572 OTWWDWCQYCRCGO-LADGPHEKSA-N 481.102 5.073 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2)CC1 1825831562 SRGLSNPHQYJFAW-GDLZYMKVSA-N 477.608 5.029 30 20 JKED Cc1scc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1C 1826180975 LGZTVCCURVEYIG-VWLOTQADSA-N 463.647 5.103 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1cccs1 1827680293 QUESJVPASOFSIE-RCMYXZNBSA-N 477.051 5.135 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)/C=C\c2c[nH]c4ccccc24)CC3)c1 1827694669 ZLIBBVNBKXTXEE-ANINJIKVSA-N 495.608 5.191 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828163327 DNSAUGUUQALCID-FYYLOGMGSA-N 474.070 5.076 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828550050 KLMAAQSJGCCUMS-HXUWFJFHSA-N 463.628 5.382 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828828451 KMKYTOHOGUJOCU-FPOVZHCZSA-N 473.013 5.070 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1)c1ccccc1 1829035974 YCZOHULHWNTAOI-KYJUHHDHSA-N 499.699 5.448 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F 1829410129 GSBZTYQHPUKJLR-MRXNPFEDSA-N 497.867 5.106 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1829701051 FEIYKTOYFQSLKJ-VWLOTQADSA-N 490.003 5.699 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829784027 KEZYRRRBHAWYHA-XMMPIXPASA-N 481.637 5.040 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2SCC)CC1 1829867123 QJZCZGOWXUFUEB-YADHBBJMSA-N 455.668 5.195 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Br)c3F)CC2)c1 1829958203 ADJXLRRMNRYCDP-JOCHJYFZSA-N 498.396 5.007 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830441025 LHLYYYHQZFZTQG-HSZRJFAPSA-N 478.555 5.059 30 20 JKED O=C(CC[C@H]1CCOC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830605030 VXNHXROFKKQUDR-FIBWVYCGSA-N 498.667 5.136 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCCCC3)CC2)cc(C(F)(F)F)c1 1830754615 CWGYKIIUVLLGLA-QHCPKHFHSA-N 475.555 5.391 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830774574 JGROSDATWWTMBZ-VWLOTQADSA-N 456.602 5.040 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831141716 UEWHVLFXTLQECT-LJQANCHMSA-N 467.626 5.321 30 20 JKED Cc1ccc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1832565849 JHNYNPSHPGDIAA-YSESTWPTSA-N 464.631 5.037 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832629130 JXFRDCKHBSSDMX-POBVQFHHSA-N 499.655 5.359 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832673939 RSKJYJCOIUELGW-SIBVEZHUSA-N 494.035 5.523 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)CC2)cc1C#N 1832984854 BLSIPSAUVSMPAB-QDPGVEIFSA-N 499.602 5.324 30 20 JKED CC1(C)CCC(CC(=O)NC2CCN(C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)CC2)CC1 1836420511 PZJAERBOTOEMOS-UHFFFAOYSA-N 499.099 5.003 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)CC1 1836747611 BHRFIJUSAUJLSI-CPJSRVTESA-N 475.073 5.290 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3CCCC4)CC2)CC1 1838424156 PIERACWDJJSMCV-UHFFFAOYSA-N 466.666 5.170 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 1845354003 DVPKBHKWIADSFL-INIZCTEOSA-N 485.344 5.053 30 20 JKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 10172580 GNNSCGKNXKVHNJ-UHFFFAOYSA-O 482.673 6.188 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1ccc(F)cc1 10498261 DZTGGYPKEUAPHW-INIZCTEOSA-N 454.596 5.280 30 20 JKED C=CCn1c(SCC(=O)NCc2ccccc2OC)nc2scc(-c3ccc(C)cc3)c2c1=O 11019439 HQUPICXIFLIIER-UHFFFAOYSA-N 491.638 5.037 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1cccc(Br)c1 11085116 LHUHTGGUSBYBOT-UHFFFAOYSA-O 482.467 6.473 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 11128636 HBLHRASXUPVMQM-UHFFFAOYSA-O 480.482 5.388 30 20 JKED N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)c(F)c1 12016292 PSOKZJSGOCQWIW-UHFFFAOYSA-N 459.333 6.196 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(C)c(F)c2)c1 14872438 ZMCSHBARTRYMPU-UHFFFAOYSA-O 458.376 5.543 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247902 JZICVLSKECEJBW-UHFFFAOYSA-O 489.404 6.193 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nnc1-c1cccc(C)c1 22160360 SEAUDIQSJYVUHQ-KRWDZBQOSA-N 485.638 6.258 30 20 JKED C=CCn1c(SCCOc2ccccc2C(C)=O)nnc1-c1ccc(Br)cc1 22162772 MKFFTYMKKUKWME-UHFFFAOYSA-N 458.381 5.267 30 20 JKED O=C(Cc1coc2ccc3ccccc3c12)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 22699863 JXKQWFNANYZBRM-UHFFFAOYSA-N 475.570 5.018 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)s1 22800345 MQPHPQFYPOFIFU-UHFFFAOYSA-O 496.052 6.778 30 20 JKED C=CCn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccc(Br)cc1 24874153 YYGUIYOWKNNZKQ-UHFFFAOYSA-N 459.394 5.902 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 24904893 AURFCNXNHCMUCW-UHFFFAOYSA-N 467.418 5.131 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 71966228 TVYJCRZARFIOIK-UHFFFAOYSA-N 474.464 5.217 30 20 JKED Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1ccc(Br)cc1 78720122 VRYFUCKWAKUVQC-AWEZNQCLSA-N 455.381 5.590 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CCC2)ccc1Cl 303230499 XPNPQCAVXFCSDM-JOCHJYFZSA-N 477.001 5.265 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1 303317699 QNMNVGLXINXROG-HXUWFJFHSA-N 451.526 5.684 30 20 JKED CC(C)(C)C[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(F)cc1 409514168 PWTZYMLJAVNDIN-QHCPKHFHSA-N 450.558 5.235 30 20 JKED C[C@H]1CN(Cc2cccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2)CCO1 409773593 NROKUWIEKVIKEE-RXFWQSSRSA-N 489.019 5.538 30 20 JKED CCCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481278629 GGFXLPAGZNHMDI-UHFFFAOYSA-N 477.511 5.183 30 20 JKED COc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2ccccc2)cc1Br 485281462 DNCJJGUFBKSHHU-WAIKUNEKSA-N 465.347 5.002 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(C(F)(F)F)nc3)s2)c(C(F)(F)F)c1 487321153 NISPOBWVBZNSGL-UHFFFAOYSA-N 456.371 5.290 30 20 JKED N#CCCCOc1cccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1 488450709 MLEYGJIDDGOWPW-UHFFFAOYSA-N 459.596 6.402 30 20 JKED CCCc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)sc2C)cc1 498285560 NJHWVMBTGGUJNW-UHFFFAOYSA-N 467.616 5.401 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 499839595 MMZCFYUANKGVLP-UHFFFAOYSA-N 459.531 5.075 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 501156876 ATTHLUYLUAZKND-VWLOTQADSA-N 477.967 5.647 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3cc4c(cc3Br)OCCO4)c2)cc1 501425355 QRKDSIYKEYBGOQ-UHFFFAOYSA-N 493.357 5.047 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 505774193 VSNLMKXCEKJZBD-UHFFFAOYSA-N 484.625 5.776 30 20 JKED N#Cc1ccccc1-c1ccc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1 505853596 PLCKZKIZFZXNOC-UHFFFAOYSA-N 475.390 5.233 30 20 JKED Cc1csc([C@@H](C#N)C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)n1 507010731 GMXCLHPYGLSSAS-SFHVURJKSA-N 465.600 5.061 30 20 JKED C[C@@H](c1ccccc1Cl)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 512067558 MAQFUOUUZSOSCG-INIZCTEOSA-N 464.953 5.428 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 513529893 CWDRLBUOIILZGQ-LJQANCHMSA-N 485.462 5.239 30 20 JKED COc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)cc1 515334357 PEFMNAKORGYUIP-UHFFFAOYSA-N 493.588 6.364 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 518207579 MOEJNHKRFAGHAL-HNNXBMFYSA-N 470.150 5.108 30 20 JKED CC(C)(C)n1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(-c2ccccc2Cl)n1 518651725 BRURHOPCAMXRDX-UHFFFAOYSA-N 462.981 5.514 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(Oc3cnccn3)c2)c1 518807489 RITGDJUTDNHEEX-UHFFFAOYSA-N 481.537 5.124 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 519424907 JFYRMBPFUVGFHL-HNNXBMFYSA-N 468.376 6.140 30 20 JKED CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 519508326 ATDSHJLJHHXBNO-UHFFFAOYSA-N 460.553 5.066 30 20 JKED CCN(C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1)[C@H](C)c1ccc(C#N)cc1 520027086 ICJYVPJSIOZWBA-MRXNPFEDSA-N 468.351 5.420 30 20 JKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 520154620 KQNDLBYLXDKRPL-UHFFFAOYSA-N 461.946 5.039 30 20 JKED CC(=O)CCc1ccc(OCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 520191217 QMMUYDYSMHPCJP-RUZDIDTESA-N 460.961 5.925 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nc(-c2c(F)cccc2F)cs1 520427295 BMJXMOOJNTVGCW-INIZCTEOSA-N 464.472 5.392 30 20 JKED COc1cccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)C[C@@H](C)C#N)c1OC 521014102 INTSQBSBEANGHD-ICQVEAKNSA-N 469.585 5.607 30 20 JKED Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)C2)cc1 524357125 DKALNGNBJAPLHO-JOCHJYFZSA-N 482.584 5.120 30 20 JKED COc1cccc(-c2nc3sc4c(c3c(-c3ccc(C)cc3)c2C#N)CCN(C(C)=O)C4)c1 541586869 IRMCRJSEHFTACU-UHFFFAOYSA-N 453.567 5.724 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1 590388733 PQVZGKULSCKDIA-OAQYLSRUSA-N 455.495 5.352 30 20 JKED C=CCN(C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)[C@H](C)c1cccc(-n2cnnn2)c1 596277395 ODFSNSYVLGIXBL-HXOBKFHXSA-N 495.425 5.225 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)s2)cc1 602229241 YZZZMDQSCAEGRT-UHFFFAOYSA-N 462.538 5.106 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603758909 OMVWZUOJXPZSMY-JOCHJYFZSA-N 478.017 5.864 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2CN2CCc3ccccc32)CC1 603975717 LJVUJMHSORJUFK-UHFFFAOYSA-N 493.567 5.224 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3Cl)c2)c1 603983537 MUAAGHSZPWZRNP-UHFFFAOYSA-N 490.766 5.027 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 608872747 IJJAQQIYFZNSOJ-UHFFFAOYSA-N 476.001 6.241 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3occc3-c3ccccc3)s2)c(C(F)(F)F)c1 608890059 YJJIVEKCIRDMKJ-UHFFFAOYSA-N 453.445 6.137 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(CC(=O)NC2CCCC2)CC1 609079051 HFPCYSHAWZJQMD-UHFFFAOYSA-N 474.605 5.139 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(OCC(F)(F)F)nc3)cc2Cl)c1 609079444 DABIXLGARNWASX-UHFFFAOYSA-N 490.869 5.448 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609103979 LWXRCKNURCYKTL-SFHVURJKSA-N 477.561 5.284 30 20 JKED CSc1nc(C)c(CCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c(C)n1 609151835 PWISSZYAAJGDDA-UHFFFAOYSA-N 450.995 5.506 30 20 JKED N#CCn1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc2ccccc21 609168397 KXBDPOYXFNKGRU-UHFFFAOYSA-N 468.944 5.550 30 20 JKED C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 609222038 OZPCUHSEDVPNTE-AWEZNQCLSA-N 470.407 5.717 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609378049 VKOQRDNDXUNRGD-MGPUTAFESA-N 474.424 5.094 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(Br)cc1 609387564 QOHLKCKBCNKACQ-OAHLLOKOSA-N 465.438 5.594 30 20 JKED Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc(S(=O)(=O)N2CCC(C)CC2)c1C 609428561 PLIYBEFKAOVGAG-LJQANCHMSA-N 485.675 5.371 30 20 JKED CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1OCC(=O)N1CCCC1 609433880 PMWSCNQHJUDWMN-SANMLTNESA-N 498.583 5.625 30 20 JKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC(F)F 613344956 ZGVPSSDQRBOWIY-ZDUSSCGKSA-N 469.296 6.217 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)[C@@H](C#N)c4nc5ccccc5n4C(F)F)c3)cn2c1 613401651 IIGQYDFDSOCAEH-HXUWFJFHSA-N 471.467 5.457 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 615914526 INCIMBMAOPQBJI-NSHDSACASA-N 460.934 5.158 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 619210271 XHOLEWKCZDVLRD-UHFFFAOYSA-N 485.531 5.824 30 20 JKED O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 622545415 MRJQKXQGPWWDHH-UHFFFAOYSA-N 489.435 5.323 30 20 JKED CCc1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1-c1ccccc1Cl 623173863 JAYCCRXNWZBPKK-GFCCVEGCSA-N 475.883 5.602 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 644482395 SSHGVCSAWSUMIX-UHFFFAOYSA-N 462.880 5.454 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1Cc1ccsc1)c1cccs1 726416138 NHXTXQUXXVCPPT-CNAVFTNWSA-N 498.699 5.466 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccc3c(c2)CCCC3)c1 726573855 TUGJKEYDDHARIJ-UHFFFAOYSA-O 480.440 6.464 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CNC2(c3ccc(Cl)cc3)CCCC2)c1=S 727166522 CRYBXNVIYMZMNJ-UHFFFAOYSA-N 460.091 5.298 30 20 JKED C[C@@H]1Oc2ccc(-c3csc(=Nc4ccc(C#N)c(Cl)c4)n3C3CCOCC3)cc2NC1=O 727970646 BQCCWCYKCBLZHK-AWEZNQCLSA-N 480.977 5.045 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1 729143875 SEWCKGCNTRWTMG-HXUWFJFHSA-N 482.606 5.368 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729144721 YEHLGISUFQBJTD-NRFANRHFSA-N 478.643 5.537 30 20 JKED CN(C[C@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 729389201 XHSVGZAKECRXQQ-OAQYLSRUSA-N 465.619 5.180 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F 730473866 LTBMJVHGKDNKCR-ITGUQSILSA-N 472.401 5.812 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(Cl)cc1 730717468 NDMUSEGYWXALHD-RTWAWAEBSA-N 492.004 5.086 30 20 JKED CN(C)C(=O)COc1cccc(C(=O)/C=C\c2cn(C(C)(C)C)nc2-c2ccccc2Cl)c1 731158472 AJYFHDNPQNRTER-YPKPFQOOSA-N 465.981 5.322 30 20 JKED N#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)c1cccc(Cl)c1Cl 731195594 LVBLBPVTLJPJJF-DZFTYQQFSA-N 486.380 5.401 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731307330 HEUMRDLWCRIDMJ-OAQYLSRUSA-N 483.952 5.345 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cscn1 747602841 OUZYQUURIANXAV-FQEVSTJZSA-N 485.034 5.574 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 748992547 KCRYMUFQGYPTTB-UHFFFAOYSA-N 450.539 5.119 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1-c1ccccc1 750910613 MXXIWJXLLKSIKZ-QHCPKHFHSA-N 459.571 5.342 30 20 JKED CCn1nc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3OC)c(OC)c2)c1C 750911853 AUDNUJKVWMVNPX-YRNVUSSQSA-N 497.979 5.104 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)Cc2csc(-c3ccccc3Cl)n2)ccc1Cl 752931805 YUGOYMVVEZRBFD-UHFFFAOYSA-N 488.396 5.458 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc2ccccc12 799209674 ASQYDEAHVZMEIN-OAQYLSRUSA-N 492.398 5.196 30 20 JKED CC1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCN(Cc2ccccc2)CC1 805856296 XEIHINJNILWYDG-OAQYLSRUSA-N 450.007 5.942 30 20 JKED CCOC(=O)C(=O)C1=C(c2cccnc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc2ccccc2c1 840197480 FQXLTUZDZNXIOJ-XMMPIXPASA-N 497.576 5.106 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)cc2)c1 912655745 WRGLGWZUHFJJOE-UHFFFAOYSA-N 496.032 5.574 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)CC1 914956270 GPWMYWGZCNANFH-UHFFFAOYSA-N 478.892 5.074 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 915101701 HAOINIYTVYZWSJ-QGZVFWFLSA-N 469.360 5.421 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1C 916205814 RKDLTUGBUGKCRP-LJQANCHMSA-N 463.525 5.693 30 20 JKED CC(C)c1ccc(S(=O)(=O)c2ccc(NN=C3C(=O)Nc4ccc(Cl)cc43)cc2)cc1 916316707 JAESSBUGKKHLSZ-UHFFFAOYSA-N 453.951 5.065 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cn(CCC#N)c3ccccc23)cc1 916321034 RWCYHSYGBTWKOA-UHFFFAOYSA-N 458.591 5.194 30 20 JKED COc1cc(Br)c(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1OC 916334017 ZHLAKLNUVJLNTJ-UHFFFAOYSA-N 488.194 5.203 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccccc1Br 916349066 JFVSHKSXIXUJBM-UHFFFAOYSA-N 473.787 5.026 30 20 JKED C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916721940 CTHIGWWXNNXFDN-KQMYFLNBSA-N 477.030 5.158 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)NCc1ccccc1 916888534 YVSYRDUYKYARCM-QHCPKHFHSA-N 457.480 5.071 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1Cl 916940726 WHPBPDMMSMCKOE-MFKMUULPSA-N 457.766 5.484 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916945391 ABDAJGRWSCHYML-QGZVFWFLSA-N 490.343 5.716 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)nc(O)c2C#N)cc1 917201768 PAZAJWNSVGZNQV-OAQYLSRUSA-N 494.592 5.254 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 917504400 CDWDXOGGIWAVFX-FQEVSTJZSA-N 497.576 5.804 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c1 917688267 CBPDKPIDNIVZLC-HSZRJFAPSA-N 494.567 5.391 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCCc1ccccc1 917704729 XWWCNTSZCJMIGD-XMMPIXPASA-N 468.582 5.151 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CCc1nccs1 919987602 KHWTTWUQFXFOSC-IBGZPJMESA-N 452.561 5.297 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccccn1 920110255 NKHZOYUNMKIINI-BBRMVZONSA-N 498.326 5.431 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 920142501 KOLUUPKBASGJHW-QRWLVFNGSA-N 469.975 5.151 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@@H]2CCCC[C@H]2c2ccccc2)C1=O 920169762 IGYBMEGZXGSEIR-HBMCJLEFSA-N 487.572 5.082 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)SC2=Nc2ccc(F)cc2)no1 920354987 JEKJIOUQSKETDQ-LJQANCHMSA-N 490.919 5.075 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 920678097 RADQQZNHDSZAJJ-OAHLLOKOSA-N 474.007 5.255 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(Br)cccc4c3)C2)C1 1778613719 LTQMQSRYQJJMFF-AREMUKBSSA-N 499.449 5.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 1778862919 DALVTDFFUHZLND-ZTCQUFLUSA-N 458.687 5.099 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3cccc(Cl)c3)CCCC1)C2 1779276199 UAGSVOIHBXSJAF-BXTSTYNKSA-N 499.095 5.434 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1786144301 LZEJTARJVFEJBZ-HCUBDLJJSA-N 493.648 5.287 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(OC)ccc3Cl)CCC2)cc1 1786370143 SOZQUSWRKIAIEX-UHFFFAOYSA-N 456.970 5.079 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCCc4ccncc4)cc3)CCC2)c1 1786908117 PZWRRPLWKBGUOS-UHFFFAOYSA-N 452.558 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5cc(F)ccc5n4)cc3)CCC2)c1 1789293910 QWIBRJJZRFDKJY-SFHVURJKSA-N 481.531 5.162 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ncsc5[nH]4)cc3)CCC2)cc1C#N 1789669607 ANZLVFIUXIGKMH-UHFFFAOYSA-N 499.596 5.345 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c(C#N)c1 1790474448 FJLBMXJWEHRXTQ-UHFFFAOYSA-N 498.970 5.082 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc(Cl)c3O)cc2)CCC1 1790760371 CTARXHYOYPNRRJ-CQSZACIVSA-N 478.376 5.248 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3N3CCCCC3)cc2)CCC1 1790783693 JKVLBERFQJPLDU-NRFANRHFSA-N 461.606 5.016 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cccc6nscc56)cc4)CCC3)c2c1 1790944066 ZHNFHTOJNGCZPR-UHFFFAOYSA-N 492.564 5.106 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C(F)(F)F)CCC3)cc2)c1 1792122657 PRHUIDWFRXGTNB-HNNXBMFYSA-N 498.530 5.850 30 20 JKED CC(=O)Nc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c1 1792137364 CUONSJWHKVVISW-UHFFFAOYSA-N 486.959 5.232 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3OC)cc2)CCC1)C(F)(F)F 1792147318 VMUVBIFTEZPPTG-UHFFFAOYSA-N 452.860 5.215 30 20 JKED Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168380 UDAVCPYAFLBXSY-UHFFFAOYSA-N 456.546 5.044 30 20 JKED Cc1cccnc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792169338 DWPJKZNEZOBQLQ-UHFFFAOYSA-N 496.611 5.429 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(F)c(F)c1)C2 1793048991 IJTHTNYSMQHSGF-WKCHPHFGSA-N 465.544 5.047 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1 1800793306 GWTLYIUSEPUDRJ-NRSFXHEJSA-N 453.410 5.245 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OCCCC(F)(F)F)cc2)c1 1800813833 SGCDMUQXJMJVMY-NUNAXRQHSA-N 499.533 5.154 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c1Cl 1802709697 CCIVSQHAHPDHLF-GAJHUEQPSA-N 497.357 5.033 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1Cl 1802732300 VSLVWIXJLUZEFT-YZXAJQSBSA-N 487.003 5.304 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1803561432 HFSKQXUQOFSLMI-VAVYLYDRSA-N 499.611 5.176 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CC3)C2)cc1 1804759343 XDYDHZWTJCSGDS-IZZNHLLZSA-N 490.047 5.179 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc5ccccc5c4Br)CC3)C2)C1 1804785710 PEWSSGRURRLBNB-UHFFFAOYSA-N 481.434 5.413 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 1808976056 NVLKDDBPFYCJIW-CUBQBAPOSA-N 474.564 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1810177854 IFNUFZGJXHKUDW-PNCHPQGNSA-N 490.406 5.616 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1810491256 BJYDURIZHVZYDF-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1812592055 JMXLJJVNAZELAA-LUQKVYGDSA-N 479.930 5.286 30 20 JKED Cc1ccc(SCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813866335 PYQBJENVEALFBJ-GOEWEAILSA-N 498.652 5.129 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)cc3C(F)(F)F)[C@H]2c2cccnc2)C1 1813976056 NZLBPSFJROSOJQ-HRAATJIYSA-N 477.914 5.040 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814373044 IEZVKMMSYCWCDN-SFHVURJKSA-N 461.900 5.062 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)COc3c(Cl)cc(Cl)cc3Cl)[nH]n2)C1 1814391954 KOYNFZCLHJBTFV-SFHVURJKSA-N 497.810 5.407 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2OC(F)(F)F)[nH]n1 1817097583 NAVHOOYECRXUOF-CQSZACIVSA-N 496.383 5.096 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccsc3)n[nH]2)c1 1817527242 ZFBKOYWXVAHGET-HTAPYJJXSA-N 461.591 5.037 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4c(Cl)cncc4s3)n[nH]2)cc1 1817679202 NOTLRLRDLKCAMH-IBGZPJMESA-N 490.976 5.164 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)ccc2c1 1818115808 KKBJCPBOBHSHGG-LEQVUBRHSA-N 499.596 5.073 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)cs2)n[nH]1 1818152364 SJGIYJKKYXZENP-RDJZCZTQSA-N 477.428 5.308 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818163776 DXNZDCNMJOWVEZ-OXQOHEQNSA-N 482.968 5.220 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1818287880 DFWOPUHHAPNAAO-HXUWFJFHSA-N 499.493 5.140 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1)c1ccc(O)cc1 1818708210 VGOZEDNZDDQLIR-CJFMBICVSA-N 496.567 5.365 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819149378 XQXVPCWWXOAGBM-IBGZPJMESA-N 451.596 5.318 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)[nH]n1 1819554506 DHJXVQSWKKZWJX-HSZRJFAPSA-N 465.642 5.513 30 20 JKED Cc1ccccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1820474879 DOFUTGROTQHOQE-NRFANRHFSA-N 481.478 5.228 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2n[nH]c3cc(Cl)ccc23)n[nH]1 1820697262 QCMBEAAQWPSQTM-NRFANRHFSA-N 483.016 5.167 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3cccn3)cc2Cl)n[nH]1 1821021386 KICSKOXXPKKWPG-AUSIDOKSSA-N 493.011 5.323 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)cc1 1821149628 YZADZUCZRFNZAL-QHCPKHFHSA-N 489.551 5.217 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)n[nH]1 1821286777 FNLGWJZFZIRYCC-KKSFZXQISA-N 499.587 5.414 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1)C(F)(F)F 1821993407 XYNCQLMEMBEWCY-SFHVURJKSA-N 497.477 5.575 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1)c1ccc(O)cc1 1822021186 LJOFSRMEQXAXHR-XZWSAFPPSA-N 488.632 5.131 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216603 XKZSHZYQJRNICU-GAJHUEQPSA-N 475.980 5.618 30 20 JKED Cc1csc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)c1 1823291035 GVPVBOPWBCIPMS-FQEVSTJZSA-N 477.590 5.058 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Br)c(Cl)cc3C)CC2)C1 1823701748 CUFVLRVIAONOKE-JOCHJYFZSA-N 493.873 5.610 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)CC2)c1 1824634408 VZGYROGKLLFONE-PGRDOPGGSA-N 459.581 5.228 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)CC1 1827720359 XOXBALUKNQUUDA-HSZRJFAPSA-N 480.678 5.431 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(Cl)cc4C(F)(F)F)sc3C2)C1 1827877708 GSOXENXUQNMAAR-CYBMUJFWSA-N 469.916 5.007 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c(Cl)c1 1828256761 BKRPTJJKHAYVSF-XMMPIXPASA-N 475.976 5.505 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)CC2)c1 1828321362 OTYDHGDCTQUJAK-NRFANRHFSA-N 481.021 5.302 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828828031 BRVSFUPWFBQVRW-PQNGQFLHSA-N 454.577 5.292 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C)cc2C(F)(F)F)CC1 1828828303 HJWZLYNKWYBHRP-SIKLNZKXSA-N 465.560 5.046 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828916324 SJKLJDNYCTUNNA-ZVMZLPNLSA-N 493.479 5.007 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccoc2)CC1)c1ccccc1 1829029595 DAELTLHLWWIJSK-WPFXTIGOSA-N 458.602 5.110 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)COC3)CC1)c1ccccc1 1829031958 HREUKXBPTWGESB-VMPREFPWSA-N 484.640 5.147 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1829067243 GLTDXQCVILEWBO-KZZMTEEBSA-N 491.720 5.977 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(Br)c2)CC1 1829171682 MYRGAPXHOCNUNH-HXUWFJFHSA-N 476.459 5.070 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1830017328 XCOFHXFNCCAWSI-QHCPKHFHSA-N 471.935 5.037 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830653882 GISRSXKWLLVVLN-HXUWFJFHSA-N 453.385 5.169 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1830719033 UBSZYXQMYWGWHL-HSZRJFAPSA-N 487.497 5.263 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC(F)(F)F)CC2)cc(C(F)(F)F)c1 1830755342 COGWLFGSRQKMNH-IBGZPJMESA-N 489.460 5.153 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)CC1 1830802000 CQUFFIJUFMKUCE-XMMPIXPASA-N 495.664 5.297 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nscc23)CC1 1830971703 QKXIAQHDACPQSD-VWLOTQADSA-N 495.765 5.581 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1)C(F)(F)F 1831451364 SDEONMQCBKQKRL-HSZRJFAPSA-N 471.523 5.100 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)CC1 1831856779 JTLILCUGVCJGHH-JWQCQUIFSA-N 497.680 5.147 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1)c1ccc(O)cc1 1831926185 ZPSQHBPLORWMMK-NAKRPHOHSA-N 497.639 5.304 30 20 JKED Cc1scc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1832635307 ZKXZRWNBWAWXDI-BVZFJXPGSA-N 463.647 5.539 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1Cl 1832635528 IIOAEOWCPLFOLN-CLOONOSVSA-N 494.035 5.523 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ncc[nH]4)cc3)CC2)c1 1832680224 HSDYJMLGSTWUPX-ZBLYBZFDSA-N 495.627 5.251 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)c1 1838821891 ZRSFRROWIHXVGL-FQEVSTJZSA-N 494.035 5.202 30 20 JKED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)C1)c1ccccc1 1844009488 CXIZLSCOSSPZDC-QFIPXVFZSA-N 493.529 5.201 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl 9826248 MNHJSTMOYTWOTI-UHFFFAOYSA-N 494.360 5.086 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179239 QUWVLCNJBAITCZ-UHFFFAOYSA-O 466.360 6.172 30 20 JKED COc1cccc(-c2nc(COC(=O)c3cc(C4CC4)nc(SC)c3C#N)cs2)c1OC 10711849 KCGMLZCHJINIQO-UHFFFAOYSA-N 467.572 5.050 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(F)c2)c1 18253981 JKSJXNDOVRRQKU-UHFFFAOYSA-N 462.905 5.252 30 20 JKED Cc1ccc(-c2csc3nc(SCC(=O)Nc4ccc(CC#N)cc4)n(C)c(=O)c23)cc1C 20074347 RABGIVFHCICQJA-UHFFFAOYSA-N 474.611 5.076 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(Cc3ccccc3)cc2)s1 22730418 STYUOTIIMDJIMY-UHFFFAOYSA-O 478.062 6.639 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731215 MTNHMBAUIVMOAX-UHFFFAOYSA-O 489.567 5.903 30 20 JKED N#Cc1ccc(-n2c(SCc3coc(-c4ccc(F)cc4)n3)nc3ccccc3c2=O)cc1 25584570 WBYLOBYWQUOTLB-UHFFFAOYSA-N 454.486 5.344 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)nnc1-c1cccs1 26230392 YMDCSSZZHNASCD-UHFFFAOYSA-N 480.594 5.176 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nnc1C1CC1 36799982 VSVKOLBCSWXIQQ-LJQANCHMSA-N 469.954 5.375 30 20 JKED N#CCc1ccc(NC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)cc1 59299512 SYZGIKCHATWKBI-UHFFFAOYSA-N 459.571 5.125 30 20 JKED N#CCCCOc1cccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 59770914 FQEKODKKIXZCGI-UHFFFAOYSA-N 466.891 5.291 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cs1 303007672 ZXTYXROLDWYJMR-UHFFFAOYSA-N 462.625 5.915 30 20 JKED Cc1c(C#N)c(NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CC2)n(Cc2ccccc2)c1C 477467781 YLWIJYVJPUNWLJ-UHFFFAOYSA-N 466.507 5.261 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 501780318 NYTVHCSPJGTSCB-CQSZACIVSA-N 465.388 5.242 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2Cl)cc1 503258932 IPYPJHYUGQQQGL-UHFFFAOYSA-N 471.948 5.620 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1 505686938 YCSXJOSVSYKWTL-UHFFFAOYSA-N 451.482 5.585 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1Cl 506273841 RWCKLPVLTLHYST-FQEVSTJZSA-N 453.329 5.409 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CCC2 509711913 GOLYGTHGIMKJFA-DDNKWHRWSA-N 469.585 5.751 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 510261330 ZBZLGTBSYDQSEZ-UHFFFAOYSA-N 499.596 5.156 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)o1 510672822 YQHQMGUVIFYVNJ-SFHVURJKSA-N 459.527 5.166 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(C(F)(F)F)cs2)nnc1-c1ccc(Cl)cc1Cl 512382203 COROPZLIYMSTET-UHFFFAOYSA-N 494.351 5.644 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Br)s1 513654712 NBMAMOHPFRKKHM-CQSZACIVSA-N 463.378 5.353 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 514357752 JFVSLYZFJSWSFX-DLBZAZTESA-N 497.020 5.801 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccc(OC(F)F)cc4)o3)c2C#N)C1 514768801 XKCFWKZZESPYGK-GFCCVEGCSA-N 490.557 5.517 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCC4)n2CC(C)C)cc1 514892322 WBYNFTPBYNGITC-UHFFFAOYSA-N 481.647 5.152 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)n1 514931480 ZEDZRSJQOZSJCD-QFIPXVFZSA-N 461.543 5.001 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 515641708 HZFHGKSESRIFAO-UHFFFAOYSA-N 460.452 5.248 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)c3cnn(C(C)C)c3n2)s1 515747445 RYJNDJAUKQEVDD-DEOSSOPVSA-N 484.629 5.072 30 20 JKED C=CCN(C(=O)c1ccc(N(C)c2ccccc2)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516463977 FJSOIWCLZVFGSA-UHFFFAOYSA-N 471.542 5.714 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OCc1cccnc1 518234974 HBDXQDAKRQFQNJ-UHFFFAOYSA-N 465.509 5.976 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1Cl 518548338 YUHJOIMNZIYBAF-SIKLNZKXSA-N 480.351 5.227 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1nc2ccccc2n1C(F)F 519251231 GCXSVVKUNNKMMT-IBGZPJMESA-N 496.473 5.908 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c3cnn(C(C)C)c3n2)c(C)o1 519424108 SMKGITFHYUCNJU-MRXNPFEDSA-N 473.602 6.393 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 519515867 ZMFKIFGAWUAUPY-KRWDZBQOSA-N 454.555 5.341 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 520127527 MHNOGWLGZQSOES-IBGZPJMESA-N 496.011 5.582 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 521293576 ZWDJQRFHFLEIKB-MRXNPFEDSA-N 478.788 6.264 30 20 JKED CC[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C 523355378 JPWXGNGUMOZQFU-QFIPXVFZSA-N 474.417 5.450 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 524017058 XWHLJZYLXIWXOR-KRWDZBQOSA-N 462.415 5.512 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 552106146 ZMDQRNNKNCCTKY-OAHLLOKOSA-N 468.340 5.723 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 567574775 MIQNXDVYBSOCGX-SFHVURJKSA-N 480.615 5.061 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2cccc(C)c2)c1 589056920 CEYHZENIBQNSCI-UHFFFAOYSA-N 454.979 5.306 30 20 JKED C=CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 603440951 QSMXHWIPYVXIPC-AWEZNQCLSA-N 493.976 5.098 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(OCc2cccnc2)cc1 603691660 LHJPDPAHSHVGNC-IBGZPJMESA-N 465.513 5.602 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nnc1-c1cccc(C)c1 603764455 GWCYRGDOFALXGQ-UHFFFAOYSA-N 470.558 5.063 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1C 603895515 JOHKFLJHYGPQOK-UHFFFAOYSA-N 471.380 5.155 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)cc1 603924024 VYNPKLDJMSNRKE-UHFFFAOYSA-N 463.493 5.628 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)N2CCc3sccc3C2)cc1Cl 603962056 BUBUKZVOWXPFLH-NRFANRHFSA-N 463.990 5.361 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(OCc3cscn3)c2)cc1 604003890 PPXHMXKOEGCNMP-UHFFFAOYSA-N 455.539 5.619 30 20 JKED CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Cl)cc1 604218107 IZEKLKGMMLXZDV-QHCPKHFHSA-N 476.964 5.631 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3nc(-c4cc(Br)cs4)no3)cn2)c1 604302712 VCQSNXYVLAHUCQ-UHFFFAOYSA-N 496.346 5.191 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 604500869 UGTLFZUTCGKOKM-UHFFFAOYSA-N 454.983 5.248 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cccc(C(F)(F)F)c1 608845040 DIMFGGQXMPEAGH-OAQYLSRUSA-N 482.462 5.216 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 608923357 HEBAPHCNECFTIJ-HXUWFJFHSA-N 461.484 5.206 30 20 JKED Cc1sc2nc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)nc(O)c2c1C 609110113 GGDYBCAWPFHMME-UHFFFAOYSA-N 476.533 5.175 30 20 JKED C=CCN(C(=O)c1ccc(C(=O)N(CC)CCC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609148859 LKSQFLCESHBCJL-UHFFFAOYSA-N 478.574 5.423 30 20 JKED CC(C)Oc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C(F)(F)F)c1 609189119 VMJFDMFSFYOOEK-UHFFFAOYSA-N 454.448 6.196 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)CC2)c1 609204460 AROHENZLRDSDSK-UHFFFAOYSA-N 472.467 5.001 30 20 JKED N#CCCSc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 609375277 BORDPJPZSGCIOA-UHFFFAOYSA-N 457.386 5.926 30 20 JKED N#C[C@H](C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1ccc2ccccc2n1 613292741 UIYIGIIKSNGOFT-FQEVSTJZSA-N 471.358 5.552 30 20 JKED CC1=NN(c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)CC1 613344318 FXDBBGNWTFOZNV-SFHVURJKSA-N 455.370 6.193 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1cscn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346765 QEOKASITTLTOPD-KRWDZBQOSA-N 486.405 6.642 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1cscn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346766 QEOKASITTLTOPD-QGZVFWFLSA-N 486.405 6.642 30 20 JKED C=CCn1c(SCC(=O)N(C2CC2)[C@@H](C)C2CC2)nc2scc(-c3cccs3)c2c1=O 613827592 HJEXYVWIZOSJQR-AWEZNQCLSA-N 471.673 5.254 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)nnc1-c1ccoc1C 613907275 DKFWGBDWSWWRHM-HSZRJFAPSA-N 479.005 5.684 30 20 JKED O=c1[nH]c(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc2cc(-c3ccc(F)cc3)sc12 618448801 BUVGPUVCEWUSJL-RYUDHWBXSA-N 479.421 5.353 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc(N3CCCC3)nc2Cl)cc1 725898279 TYMZGZPTSDRUDW-UHFFFAOYSA-N 454.939 5.322 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccc2)cn1 726111578 LCFBGIRENATZLF-OAQYLSRUSA-N 482.009 5.025 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cn1 726112283 NFVFRKABFYZFER-NOZRDPDXSA-N 487.629 5.323 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1oc2ccccc2c1CSc1ncccn1 726321674 NLQIYJLUPQLOLK-HNNXBMFYSA-N 480.908 5.269 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCOC(C)(C)C)cc1Cl 726893350 ZSWRFQKOTHIDIW-FQEVSTJZSA-N 490.025 5.124 30 20 JKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)C1CCCC1 727233375 OMSMEANDLRUNLG-WBMJQRKESA-N 450.391 5.378 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(Cc3c(F)cccc3Cl)o2)C(C)(C)c2ccccc21 727265956 QEBWGIAGULNYEH-JAIQZWGSSA-N 457.958 5.426 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCCCOc2ccc3ccccc3c2)CC1 727871784 MJOKQGVPYCHPQM-UHFFFAOYSA-N 471.513 5.188 30 20 JKED Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2cccs2)cc1 728110509 NJNFGVFOZNCNQY-AREMUKBSSA-N 486.549 5.163 30 20 JKED O=C(O)Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1 728698743 NBICTASYSXFLGM-CCEZHUSRSA-N 476.488 5.169 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/Cc1cccc(C(F)(F)F)c1 728780675 WPWKNQYTGSSVQS-LCNAWROFSA-N 488.535 5.228 30 20 JKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2c1 730476869 DMTXAVUECCWNNL-UHFFFAOYSA-N 457.493 5.917 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730685104 BQTLAQUXMARFFM-PMPSAXMXSA-N 455.313 5.759 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(Cc2cocn2)C1=O 730712909 OIZIMJFDUYYWQG-QHCPKHFHSA-N 492.601 5.241 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O 730716692 YGSVZIGWMMYAIB-NRFANRHFSA-N 498.992 5.277 30 20 JKED N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 730921207 VVQPXIIBTKKRFV-HXUWFJFHSA-N 469.324 5.299 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)c1 730970249 WDOAWGKXXJZIMS-UHFFFAOYSA-N 453.276 5.416 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 731062849 MFPSACQJYHMUHG-LJQANCHMSA-N 472.566 5.416 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccsc1 731310155 BKYBEZKKOSJKTB-FQEVSTJZSA-N 486.018 5.576 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2nccs2)c1 731311643 DFPPEHUKERFGAN-OAQYLSRUSA-N 494.642 5.175 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cc(OC)c1OCc1ccccc1 732764088 CHCPUAYPJKHRFZ-UHFFFAOYSA-N 480.977 5.366 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(F)c(Br)c2)c1 744766431 QLJDVEHEUBCLLR-UHFFFAOYSA-N 463.376 5.361 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1cc(Cl)cc(Cl)c1 747598309 ATEDMLPGNGVIIF-GOSISDBHSA-N 491.425 5.610 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cscn1 747600626 BUKSBSXBWQKIBY-LJQANCHMSA-N 488.997 5.405 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)cc1 747603212 QMIMMWPLANOOGV-FQEVSTJZSA-N 486.569 5.144 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccc(C)cc2)n1 748036127 KWJSSHWXFWCDST-HSZRJFAPSA-N 488.613 5.176 30 20 JKED C=CCN(C(=O)CCN1c2ccccc2Sc2ccccc21)c1nc(C(=O)OCC)cs1 749129581 ZNNOPTIJFFAHDI-UHFFFAOYSA-N 465.600 5.532 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 749337598 HFMMSHUCKOWEEE-INIZCTEOSA-N 474.369 5.865 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 749657006 SPWQYQGLJZWWQE-OZXSUGGESA-N 489.616 5.389 30 20 JKED CCOc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc(Br)c1OC(F)F 750911873 AUYXRUKUJAJUNS-VOTSOKGWSA-N 482.277 5.302 30 20 JKED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 751375136 YPKVKSRUJAVBQP-VWLOTQADSA-N 498.974 5.486 30 20 JKED N#C[C@@H](C(=O)CSc1nc(-c2ccc(F)cc2)cs1)c1nc(-c2ccccc2)cs1 807738299 CSKPKBCHJVBDDX-KRWDZBQOSA-N 451.573 6.041 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 837286762 ZVAWLERAVWJNFB-DENIHFKCSA-N 458.587 5.420 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C2CC2)CC1 837326634 NLFBMNYJZWUSDF-QHCPKHFHSA-N 497.064 5.236 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837638948 CCWRAFPSXTVWTK-MBSDFSHPSA-N 476.577 5.559 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(C)c2)c1 912771842 VAXHWXXXYRKURD-DEOSSOPVSA-N 489.597 5.173 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 915086638 LYYAQKOEXMMUDE-SANMLTNESA-N 473.598 5.159 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2s1 915099181 KMLUUWRMEZMSFS-WIYYLYMNSA-N 459.958 5.687 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 915180753 RNZBNAYLXBERKM-AREMUKBSSA-N 457.489 5.395 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 915351406 AVRILXNUORJUOJ-HSZRJFAPSA-N 452.583 6.363 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 915581780 ZLIFJQOYDDGBNA-UHFFFAOYSA-N 481.961 5.066 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(Nc2ccc(Oc3ccccc3)cc2)sc1=S 915794899 VJLZXLPUXGFJEI-UHFFFAOYSA-N 474.615 5.978 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916057847 YIIKGEMRTKZSOF-QFIPXVFZSA-N 493.369 6.594 30 20 JKED CCOc1cc(/C=C/C(=O)c2cccs2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916137072 MDBOJFYFBYPWFI-FNORWQNLSA-N 467.499 5.397 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccco3)C2=O)c1 916211495 OLOQKYWQNKOUHY-OAQYLSRUSA-N 451.523 5.196 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccccn3)C2=O)cc1 916213066 XTNRXUSAFZTYIZ-OAQYLSRUSA-N 464.978 5.204 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916217553 PKVLJUQKUOEYAY-IBGZPJMESA-N 494.400 5.157 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916905746 PFYAALYXAAZWKX-NRFANRHFSA-N 496.548 5.078 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cs2)o1 916997335 WMEVALYTHFNKAY-HNNXBMFYSA-N 474.394 6.561 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 917488422 NABZYMYTNLTWRH-UHFFFAOYSA-N 450.583 5.267 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cccc(C)n3)C2=O)c1 917671014 HSRTXDFBNYMDRI-DEOSSOPVSA-N 488.613 5.176 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c1 917671039 JASHEBZPPNRNFH-DCLXLUIPSA-N 494.636 5.030 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccccc1C#N 917700016 MPVJKDWUGHYXHG-SFHVURJKSA-N 459.358 5.011 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)cc1 917797524 CQCOBPJLACZREM-LSYYVWMOSA-N 497.595 5.042 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1 918476494 SRRBQTXQYGECPF-VSGBNLITSA-N 493.994 6.034 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1=S 918735745 QGQHLJDEGLTVET-KBPBESRZSA-N 480.478 5.296 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 919907513 JDGKXRWRMSOHTF-UHFFFAOYSA-N 474.536 5.081 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(OC)c1 920867865 HPAWBAHSKLBGMI-UUOWRZLLSA-N 491.613 5.091 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)nc1C 921073336 FCAXNVGVBBMXJY-UHFFFAOYSA-N 495.080 5.584 30 20 JKED Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)n2C)n1 921253716 VJPNKRITOZLGNY-CVEARBPZSA-N 485.704 5.428 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C45CC(C(F)(F)F)(C4)C5)cc3)CCC2)cc1 1786461961 WFAGNEKFBPBATI-UHFFFAOYSA-N 453.464 5.039 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=C(C)CC3)cc2)CCC1 1789114526 OBWFVYJOXOACTC-BNJCFXFUSA-N 493.648 5.336 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccccc45)cc3)CCC2)cc1C#N 1789284168 QWEFUJAAZYRNCI-UHFFFAOYSA-N 493.567 5.283 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5cc(Cl)ccc45)cc3)CCC2)cc1 1789350884 LPHPEWGZTAFZJE-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789991245 BDZSRVCZWODCGM-SFHVURJKSA-N 484.556 5.162 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4csc(-c5cccnc5)n4)CCC3)cc2)cc1 1790287634 KIGIKXKPOWHAPW-UHFFFAOYSA-N 479.565 5.138 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)(F)F)c4)CCC3)cc2)cc1 1790288564 NRTMQAXBUFUICE-UHFFFAOYSA-N 464.447 5.034 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1790566426 ANFLZFISMNEWNE-IBGZPJMESA-N 483.568 6.135 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(F)c(F)ccc4c3)CCC2)cc1 1790568487 ZIRJJJXJNUSQJH-INIZCTEOSA-N 480.515 5.062 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(Br)c(F)c4)cc3)CCC2)C1 1791197533 NVUPLYIKGOLYMJ-UHFFFAOYSA-N 471.370 5.231 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3N(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791249368 RAFOXKALAVVZOI-TYJFDUFHSA-N 495.664 5.368 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(Br)ccc3O)CCC2)cc1 1791300222 JTXRCJCEGYPSNU-UHFFFAOYSA-N 493.348 5.043 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ccc(Br)cc4n3)CCC2)cc1 1791575260 JWAOPDMKZLCKLC-CQSZACIVSA-N 484.419 5.063 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3)CCC2)cc1)c1ccc(O)cc1 1791646241 FYUIGGORTKSSBU-JOCHJYFZSA-N 467.569 5.041 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CC(C)(C)C3)cc2)CCC1 1791649979 OWRHCMNYQSACBB-QHCPKHFHSA-N 495.664 5.254 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)nc4F)CCC3)cc2)c1 1792121989 GFCRMDNGDBLGOS-INIZCTEOSA-N 460.484 5.048 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C#N)c1Cl)C2)c1ccccc1 1795575536 OBGJHMAYTAUEQS-WDVFSZROSA-N 464.009 5.293 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2cccnc12)c1ccc(C#Cc2ccccc2)cc1 1797332009 LVGTUPHVMQNLIJ-OUOZDZGXSA-N 485.587 5.200 30 20 JKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccc(OCc2ccccc2)cc1)C(C)C 1802082612 PHBSEBYDUJSDHI-OWWCKCFISA-N 486.656 5.447 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2Cl)N(C)C)[C@H]1c1cccnc1 1802500138 KSFHWFVPYJVCOA-TUSQITKMSA-N 497.083 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802828942 DYUUEIAPOJDDNB-ZFJSRUIDSA-N 468.041 5.537 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](CNC(=O)CCc2cccc(C#N)c2)[C@H]1c1cccnc1 1802954972 UDQSWEQMBWDCOB-UFHPHHKVSA-N 498.627 5.105 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(OC)cc(C(F)(F)F)c3)CC2)C1 1804866589 JLQFWLYREVWAJS-UHFFFAOYSA-N 480.571 5.551 30 20 JKED O=C(C#CC1CC1)N1CCCC2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CC2)C1 1805889822 FIHPLRSRCLMIFD-MHZLTWQESA-N 476.567 5.143 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1810174187 MEGXXUMBCIGDHM-PWHSHALESA-N 472.416 5.476 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1810181603 JBRUUSUQWVWYML-ZQIDGUAPSA-N 488.607 5.109 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)C2)CC1 1810243789 JEKFPQZQTCONHH-JOCHJYFZSA-N 495.067 5.652 30 20 JKED Cc1cc(C)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1811881879 SEFMOAODZCQYRG-IGKIAQTJSA-N 475.709 5.069 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1812260107 XBPHSBHKGXAUMS-MZEQIWSPSA-N 489.019 5.371 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[C@H]1c1cccnc1 1812448928 QJUBJWKOPNQDIA-NFCJYOSASA-N 499.577 5.190 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812590596 MERNKSVHAFHNEI-XZDHIHRUSA-N 466.025 5.075 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812803971 HPTXKLCNHDZNJZ-RSXGOPAZSA-N 453.671 5.852 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c1 1813869390 FURRABGIOKUQTR-KFACBJOOSA-N 492.623 5.221 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1813989369 XYYPOYXUDRDXOP-ZEQKJWHPSA-N 493.623 5.322 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1cccnc1 1814065878 RZHCHPDCMSDFPM-CUBQBAPOSA-N 490.648 5.035 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1814571193 RLOPGVMOCZFSJE-UTKZUKDTSA-N 493.011 5.206 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)[nH]n2)c1 1814739782 GCEQJZUADLMXSP-SANMLTNESA-N 497.599 5.009 30 20 JKED O=C(C#Cc1ccccc1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1816957567 DRPFVBUMQFTEHN-QFIPXVFZSA-N 472.932 5.167 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H]2CNc3ccccc3C2)n[nH]1 1817374051 VJMZDCLCVXKJLD-RDPSFJRHSA-N 477.653 5.459 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3sc(C)nc3c2)n[nH]1 1818701886 YATVRRNLJKFQAJ-NQIIRXRSSA-N 463.607 5.402 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3[nH]2)n[nH]1 1818978997 JTFOFFNEZPQEFR-VLIAUNLRSA-N 484.398 5.172 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3Cl)n[nH]2)c1 1820427647 VCOBSTSGQKZSSS-AOMKIAJQSA-N 461.953 5.310 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1 1820435336 VEGOVCHXRQTENY-HNNXBMFYSA-N 457.308 5.234 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)n[nH]2)CC1 1821006936 NTALDFJBBQVLQK-LADGPHEKSA-N 489.526 5.217 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccoc34)n[nH]2)c1 1821543376 YIIANPIHZSBOLI-GAJHUEQPSA-N 467.529 5.403 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1 1821926105 IQXGTQSSJTYKIW-SIKLNZKXSA-N 454.640 5.246 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2c(C)cccc2C)[nH]n1 1822580963 FCLPYRCVPYRBGW-OAQYLSRUSA-N 452.624 5.005 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[nH]n1 1822582690 UHHLGOURCGIIFW-GCJKJVERSA-N 488.554 5.504 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cnc(C)s2)n[nH]1)c1ccccc1 1822928932 OHJALKLSWBJDQG-TWKGTMJUSA-N 487.629 5.077 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)[nH]n2)c1 1823210562 HGUSATHIJHBBPK-MWTRTKDXSA-N 493.970 5.378 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1823421083 NTCLAKPOZSDHCW-QHCPKHFHSA-N 462.500 5.074 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)c3ccccc3)n[nH]2)cc1C#N 1823495548 BSLABDBLTOCYPI-DVECYGJZSA-N 485.588 5.178 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3C)CC2)c1 1823915769 HYQSGVRURYDXOT-VWLOTQADSA-N 480.008 5.076 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1824048886 NWJPSSUATHPMMS-RLWLMLJZSA-N 452.639 5.187 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1824056012 MHPNJOWADLNNFM-NMOPKGMDSA-N 495.667 5.232 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1824500397 CPCLGLPJJHMFFA-QFIPXVFZSA-N 484.534 5.061 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1824542603 ZRWGKOQTVVKBRX-UYAOXDASSA-N 475.457 5.320 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccoc2)CC1)c1ccccc1 1825055077 ZQRQTJQFUPGPLH-WPFXTIGOSA-N 458.602 5.110 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)CC1 1825995960 BNKNHIBZSIRALH-OAQYLSRUSA-N 463.544 5.102 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1)C(F)(F)F 1826570682 MDYOQOJPPQETMS-FQEVSTJZSA-N 456.936 5.011 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1827355998 MLQPAKJDNXKIPZ-AREMUKBSSA-N 493.598 5.454 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)CC1 1827905307 FJYHBOMCJKXHRO-OAQYLSRUSA-N 467.576 5.270 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncoc3c2)CC1 1828906296 FFEYHWFKXCGEHB-XMMPIXPASA-N 479.697 5.112 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1828906888 OEIBNAPFDRSBPD-VWLOTQADSA-N 478.709 5.717 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1)c1ccccc1 1829035054 KGVMZJHHGVFTOJ-BHBYDHKZSA-N 493.651 5.665 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830015305 CJXZRYVZMSWDMT-ABFIKHOGSA-N 473.642 5.406 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830627907 BDUMRSSXMMVPNB-AREMUKBSSA-N 496.611 5.263 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1830765523 PTSTYBKJMZVDFW-VWLOTQADSA-N 481.999 5.135 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CC2)C1 1831236232 YPXCKSCTXBHNKS-NTKDMRAZSA-N 476.583 5.481 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831376188 LIBCQJAVWGWXJL-ZQAWKMMESA-N 487.482 5.385 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1)C(F)(F)F 1831452351 BTKXZUCSLFYAFW-GOSISDBHSA-N 468.516 5.392 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1832630048 XVLSBJKOIKVGTA-FIPFOOKPSA-N 471.645 5.407 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)CC2)c1 1832706917 XLDDJOMWFCYGPT-HSZRJFAPSA-N 487.497 5.263 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3ccccc3C#N)CC2)CC1 1832794399 MALYHUVTDNWIEK-GVUKDKGQSA-N 479.665 5.019 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)CC1 1838257430 QZETVIPSJHVSJE-UHFFFAOYSA-N 487.065 5.361 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)c3cccs3)CC2)CC1)c1ccccc1 1838417552 FKAYWPLHVCJKDG-ATIYNZHBSA-N 492.685 5.047 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(OCc3ccccc3)c(OC)cc2C)C1 1845494681 ZBIQRHSFRVQUFP-XMMPIXPASA-N 488.628 5.168 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173151 OPRIEXNIOFQBDD-UHFFFAOYSA-O 465.642 6.541 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2ccccc2CC)c1 10174508 KCBFHGABETYBQB-UHFFFAOYSA-O 468.440 5.912 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 10693720 DWCZPWMMALVMCG-UHFFFAOYSA-N 487.556 5.704 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccs2)nc2scc(-c3ccccc3)c2c1=O 11297249 WLYCCIOKIBLLHR-UHFFFAOYSA-N 467.641 5.123 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCC)c1 15657469 LVCXGWFRXJTJRN-UHFFFAOYSA-N 470.978 5.372 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccc(Cl)cc1 22160249 FETYKEOSMWPKBU-UHFFFAOYSA-N 455.996 5.131 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(OC)c2)cc1 22728388 AVFYJBKKJJLIAY-UHFFFAOYSA-O 469.577 6.215 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=O)CCc2ccc(C#N)cc2)c1C(=O)N1CCCCC1 24699922 GZPUNRMPRXNFCD-UHFFFAOYSA-N 457.599 5.793 30 20 JKED C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 25212613 JSHDPVGZSXMCPX-CQSZACIVSA-N 456.999 5.108 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CC)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1Cl 25513682 BYQQKYBOHCMGJP-FQEVSTJZSA-N 491.444 5.806 30 20 JKED C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)c1ccc(C#N)cc1 26114188 JWRFWWDOISKSPS-MRXNPFEDSA-N 475.524 5.054 30 20 JKED CC(C)c1ccc(CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C2CC2)cc1 32715632 ZTJGPGJFSZOINP-UHFFFAOYSA-N 458.562 5.337 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(Br)c1 71944241 RRSJSBMVZXEBRF-HNNXBMFYSA-N 463.335 5.456 30 20 JKED COc1cccc(Nc2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)c1 105403912 JAEHSTUKFVIZMH-QGZVFWFLSA-N 479.612 5.382 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)n2Cc2ccco2)cc1 303002973 YRQBLWSJXFBILD-OAQYLSRUSA-N 485.613 5.631 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1c(Br)cccc1Br 303347196 ZTUQMPGLBFHBSY-LBPRGKRZSA-N 484.213 5.481 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1Cl 484221915 QBZJZELYPBFLNT-FYYLOGMGSA-N 487.943 5.026 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)s2)cc1 487470730 IPUJYGRXKVRXHI-XMMPIXPASA-N 466.566 5.105 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 488379730 ZWBCJBFSVAUJCK-QGZVFWFLSA-N 473.602 5.339 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2ccccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491058355 GNTLZJCHJLOPDJ-UHFFFAOYSA-N 489.622 5.472 30 20 JKED COc1ccc(CN(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OC(F)F 498685527 JXPHFCZCVMAEFD-UHFFFAOYSA-N 452.457 5.019 30 20 JKED COc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1OCc1cscn1 501457078 VNSWSQMWCWAODQ-UHFFFAOYSA-N 485.565 5.628 30 20 JKED CCSc1ccc([C@H](C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 504711154 HBAMVSKZYFVHJQ-INIZCTEOSA-N 450.564 5.012 30 20 JKED Cc1cc(NC(=O)c2cccc(CC#N)c2)ccc1NC(=O)c1ccccc1I 507833432 JKWPDQDCYJGWTC-UHFFFAOYSA-N 495.320 5.170 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1C#N 510216949 KWWBYUFMWIDCMP-OALUTQOASA-N 453.571 5.545 30 20 JKED C=CCn1c(SCC(=O)NCC2(c3ccccc3C)CCOCC2)nnc1-c1ccc(Cl)cc1 511397807 MOISIAUCYGDLNE-UHFFFAOYSA-N 497.064 5.050 30 20 JKED COc1ccc(CN(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC(F)F 511499901 PQBSQYUNZARERR-UHFFFAOYSA-N 480.471 5.084 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511505094 MCHRSPWTVBZSNG-UHFFFAOYSA-N 496.354 5.220 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OCc1ccc(Br)cc1 513653904 HQCJJCVZHSJFCJ-QGZVFWFLSA-N 457.349 5.292 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc(-c3ccco3)nc21 513655695 TZTCEMSYTGHLPB-MRXNPFEDSA-N 498.568 5.351 30 20 JKED CCN1CCN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c(C)c2)CC1 513954051 XGAUSAHSAFNRRB-UHFFFAOYSA-N 485.607 5.382 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)n2)cc1 514217043 AZLGHFQHNSBTCF-HXUWFJFHSA-N 495.951 6.271 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 515651501 RPYJFJALAQRXKW-UHFFFAOYSA-N 450.922 5.096 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc(OC)c1OC 515799153 WLSCTPQVHCUNAY-UHFFFAOYSA-N 467.909 5.351 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)N[C@H](C#N)c4cccc(Cl)c4Cl)nc(O)c23)C1 517491889 FMRGZXXBPZHVSZ-IAQYHMDHSA-N 475.401 5.142 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 518033278 MRXVOVHDINGPDC-UHFFFAOYSA-N 495.608 5.185 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 518573834 WLJXEWGGWHDANF-KRWDZBQOSA-N 470.554 5.427 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 519442119 YJKIBMODXMEZDU-UONOGXRCSA-N 450.391 5.104 30 20 JKED COc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1 520842272 QWIKJIHXQOBHFV-MUUNZHRXSA-N 491.547 5.512 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 521329998 ZIROZGVZUQYLHP-GOSISDBHSA-N 463.628 6.356 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 521731411 WNIFLIYBSLOPBN-KBPBESRZSA-N 458.559 5.779 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC1CCC(c2ccccc2)CC1 521740491 YHYBZHWJMZAEGH-UHFFFAOYSA-N 475.536 5.492 30 20 JKED COc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc(OC)c1Br 524335299 KOSVXSHNICBVSB-HXUWFJFHSA-N 481.346 5.040 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c3cnn(C(C)C)c3n2)c(C)s1 556476819 QRVGEBFUGSANRD-UHFFFAOYSA-N 481.528 6.083 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(CSC)o3)c2C#N)C1 589041302 SLPJTZMOIBYXKW-LBPRGKRZSA-N 450.655 5.138 30 20 JKED O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590828367 XIMHPOJOVCBFCD-ZIAGYGMSSA-N 482.371 6.138 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 595127538 WJMYOQCSRFGEAM-HNNXBMFYSA-N 469.444 5.675 30 20 JKED C[C@H](SCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1nc2ccccc2[nH]1 603449250 HWZIQMHITZDQEC-ZDUSSCGKSA-N 466.617 5.011 30 20 JKED N#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)c1 603698085 RXUSLPBORDPSKA-SANMLTNESA-N 484.559 5.593 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3ccc(F)cc3)cn2)cc1 603763785 FJMXLTDNGRQPHK-UHFFFAOYSA-N 498.539 5.868 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(Cc4cscn4)CC3)cc2Cl)cc1 608995335 KBTXQNFMROYUOW-UHFFFAOYSA-N 467.982 5.200 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 609072272 HYZIPVCSAWASMT-QFIPXVFZSA-N 486.547 5.467 30 20 JKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078705 JPIOXLKTHAYBGX-UHFFFAOYSA-N 459.546 5.517 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609086414 GFGAQZLGUSZDPE-UHFFFAOYSA-N 465.962 5.005 30 20 JKED COC[C@H](C)n1c(SCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnc1-c1ccccc1 609176354 IDSARROCCKRKNU-IBGZPJMESA-N 499.596 5.547 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 609389786 SAFNRFXSCWSMAW-CQSZACIVSA-N 458.996 5.514 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1ccc(Br)cc1 613392528 RTQJKJGQLAKEBB-SFHVURJKSA-N 463.360 5.557 30 20 JKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1nc(-c2ccccc2)cs1 613392575 ZKDFIAWYPKTWAJ-GOSISDBHSA-N 471.542 5.748 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Oc2ccccc2OCC)nc1 616130984 VBKPDWQXIXQJED-UHFFFAOYSA-N 457.983 5.885 30 20 JKED CCn1c(SCC(=O)Nc2cccc(C#Cc3ccccn3)c2)nnc1-c1ccc(Cl)cc1 640536887 NKTUJBMYARARSI-UHFFFAOYSA-N 473.989 5.144 30 20 JKED O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1Cl 642193405 HCZIJMXVGWCJBD-RKDXNWHRSA-N 477.776 5.547 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nnc1-c1ccccc1F 645077384 SQFFRNQAJDYYLG-UHFFFAOYSA-N 466.538 5.043 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 726398643 LJWJVQZYQKUULG-RNODOKPDSA-N 495.979 5.312 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)cc2)cc1 726570600 HCQKEMZPWHWBEI-UHFFFAOYSA-O 497.471 7.379 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2ccc3c(c2)CCCC3)c1 726572973 SWFXYUABBZXBMO-UHFFFAOYSA-O 467.658 6.391 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726891649 PNYAIRXPVFIQMO-OXQOHEQNSA-N 480.615 5.182 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1cc2ccccc2nc1N1CCOCC1 727267632 MKQVZSHKDGZNPN-DHZHZOJOSA-N 459.546 5.539 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)/C(=C\c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)nc1 727342761 QKZRWNFEVQRNJX-IWIPYMOSSA-N 460.940 5.072 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2\CN(C3CCCCC3)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697603 SWCIZHIPHJSTGO-YZOQYODYSA-N 495.623 5.953 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2cc(O)ccc2C)c1 729670370 PXOHVTXYDLWCBT-UHFFFAOYSA-O 495.621 5.665 30 20 JKED COc1ccccc1NC(=O)C[C@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O 730461977 JPGDQHICZOMTLL-QQKBAMFOSA-N 491.535 5.095 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(C3CCC3)C2=O)cc1 730462939 QXJBXEGHDMAERT-PRLFLVJASA-N 457.621 5.089 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C 730605177 AAJPULSBFGLGAV-UHFFFAOYSA-N 471.488 5.210 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 731198534 LJXHCBLERMWHAC-QIYXJHPLSA-N 483.684 5.408 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1sccc1C 731310396 HGMOUWQULCJEEL-HXUWFJFHSA-N 465.600 5.231 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731313375 XARDXJOVUKQZLG-JOCHJYFZSA-N 477.611 5.103 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cc(Cl)cc(Cl)c1 745990928 KUZCFDPKVOMDNA-GOSISDBHSA-N 464.374 5.148 30 20 JKED COc1ccc(/C=C2/C(=O)N(c3ccccc3OC)C(=O)c3ccccc32)cc1OCCCC#N 747361637 TXTMGFSCUUTPHT-OQKWZONESA-N 468.509 5.114 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cscn3)C2=O)cc1 747602790 NIKNDPZNQQFBNO-HSZRJFAPSA-N 486.622 5.765 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1F)C(=O)Nc1ccc(Cl)cc1Cl 748003929 LWZWPAYSIJZTAX-ZDUSSCGKSA-N 490.181 5.476 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1-c1ccccc1Cl 748483915 YRHQVJCZPXNKND-LJQANCHMSA-N 499.958 5.798 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccsc2)cc1OC 749105504 UIHWEVRTXHHALB-CLTKARDFSA-N 457.935 5.332 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)c2C#N)C1 751056824 GCZHQQLZQXERGK-NSHDSACASA-N 462.369 5.694 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(-c3ccc(F)cc3)n2)cc1 767151226 GPYMVCVFOWUKAP-UHFFFAOYSA-N 467.595 5.588 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CC(F)(F)F)C2=O)cc1 799218600 HZZKUVAKUFSBOO-MRXNPFEDSA-N 455.889 5.171 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c3c(C)noc3n2)c(C)o1 813324948 ULGZBTCAPJUOAD-CQSZACIVSA-N 478.892 5.117 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)c1 837302228 VWSCXOQKSQYQEU-NRFANRHFSA-N 499.589 5.065 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccc3F)C2=O)c(OC)c1 837540804 OCDZHJZUYPBDEJ-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Sc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1 912801268 HCGUCOOSSVMFPS-XMMPIXPASA-N 486.597 5.459 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(SC(F)F)cc2)cc1 914538768 WWOPZXPYIBQUSX-LJQANCHMSA-N 475.586 5.110 30 20 JKED COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OCc1cccnc1 915048418 FCRKCWIRWVVMGH-UHFFFAOYSA-N 465.966 5.089 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915087039 OWCUKBFZPRDITQ-NDEPHWFRSA-N 495.604 5.810 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 915181212 YIWCLEFJTPCJKQ-DEOSSOPVSA-N 473.985 6.212 30 20 JKED COc1ccc(-n2c(-c3cccc(C)c3)nn(CN(CCC#N)Cc3cccnc3)c2=S)cc1 915796000 PDDUOQZPHAKEHP-UHFFFAOYSA-N 470.602 5.156 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccco3)C2=O)c1 916205491 JOARGYCSIZZLCK-OAQYLSRUSA-N 451.523 5.196 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc2ccccc2c1 916209386 KNOXTMGYLFANBP-DHIUTWEWSA-N 477.561 5.118 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@H](Oc2ccccc2Br)c2ccccc2)nc2ccccc21 916844738 AFPAZUKYBSTHDN-UZUQRXQVSA-N 460.331 5.332 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916885398 VTSOIOYENXNBEJ-GOSISDBHSA-N 465.296 5.400 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916887103 MFPPNIRFQVPGDS-VXKWHMMOSA-N 492.503 5.417 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 916931343 QLCYDOZAEQJUTQ-OAQYLSRUSA-N 455.489 5.263 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916939569 PMLIDHZNPOVSME-GOSISDBHSA-N 450.857 5.084 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)c1ccccc1F 916939733 RUTLCXCNPNZQSX-QGZVFWFLSA-N 467.859 5.140 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 916955698 SYOIOAQJBCOBDH-QRWLVFNGSA-N 451.979 5.867 30 20 JKED CS(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1Cl 916997112 QYXAYZSWYANKMR-CYBMUJFWSA-N 485.801 5.664 30 20 JKED COc1cc(/C=C\C(=O)c2sccc2Br)cc(Br)c1OC(F)F 917145392 LUDBEKLMVFFDHK-IHWYPQMZSA-N 468.113 5.779 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccccc2OC)cc1 917612077 FPYGALWSFTXOHS-UHFFFAOYSA-O 458.607 6.081 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)C3CCCCC3)cn2)cc1 918269017 BVQAVOMZMZJOJE-VWLOTQADSA-N 454.530 5.122 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc2ccccc2n1Cc1ccccc1F 919379068 FCJGHZDYGYTGPL-UHFFFAOYSA-N 473.529 5.240 30 20 JKED CC(C)c1ccc([C@H](CNC(=O)c2ccccc2OCC#N)N2CCc3sccc3C2)cc1 919815870 XXNNZEIWIAGUJH-DEOSSOPVSA-N 459.615 5.303 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)C(=O)Nc1ccc(Cl)cc1 920108702 YIMGTMZVHXZQLU-INIZCTEOSA-N 472.726 5.038 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3coc(-c4ccccc4)n3)n2)cc1 920140525 FOGLGVZTWKLKML-HXUWFJFHSA-N 456.552 5.446 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 920871027 VUHDKTOFKKFQDQ-ORAYPTAESA-N 498.407 5.375 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1780956874 PFCFVJPBJXFNNS-MEKIYTOJSA-N 498.973 5.255 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2Cl)C1 1781106562 XTSWJMIRNDEJJS-YIXXDRMTSA-N 488.072 5.336 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)cc1F 1786036267 YBUMUDAPZWTOIS-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCC(=O)Nc3ccccc3)cc2)CCC1 1786112980 RHNGODRVHBBXDW-VWLOTQADSA-N 473.617 5.698 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OCC4CC4)c3)CCC2)cc1 1786367147 BOFOPELIINJHHI-UHFFFAOYSA-N 492.616 5.215 30 20 JKED Cc1ncccc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1786748489 UYZUIKFVSNQBEQ-FQEVSTJZSA-N 466.585 5.398 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)nc3)cc2)CCC1)c1ccc(O)cc1 1786839727 PNWWQYSIORVHRK-VWLOTQADSA-N 495.623 5.360 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)c[nH]4)cc3)CCC2)c1 1788721888 MRLPDLMPAIHVRT-MRXNPFEDSA-N 480.490 5.722 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cc(O)ccc5n4)cc3)CCC2)cc1 1788944102 DZOYEJBAGCYYAX-UHFFFAOYSA-N 476.536 5.068 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncncc5c4)cc3)CCC2)c(Cl)c1 1789324993 XEEZSYZFMFYOIC-UHFFFAOYSA-N 481.943 5.216 30 20 JKED Cc1cc2[nH]c(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)cc2s1 1790707431 KPEWQOSBCOIYHS-UHFFFAOYSA-N 468.582 5.665 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncoc5c4)CCC3)cc2)c(Cl)c1 1790767621 BHHONTVCYQVWMM-UHFFFAOYSA-N 470.916 5.414 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)c(Cl)c1 1790836582 NWZAMVCZHWMZIN-UHFFFAOYSA-N 494.942 5.021 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)[S@@](=O)c3ccccc3)cc2)CCC1 1791059857 AYCMTELZXNASSC-LIEYZCIRSA-N 464.631 5.085 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791583670 XVKKOLGXSJPROY-HSZRJFAPSA-N 481.637 5.104 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC[C@@H]4C)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681579 YJZVBKMHCMAQDR-VJBMBRPKSA-N 481.637 5.122 30 20 JKED C[C@@]1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)CC1(F)F 1792248345 MIKCZQCHGBMCHA-NRFANRHFSA-N 488.332 5.114 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1NC(=O)OC(C)(C)C 1800512264 AMJMOVRRAVFPEG-PLACYPQZSA-N 467.610 5.054 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(C)c3[nH]2)[C@H]1c1cccnc1 1802496491 IYPYQNXBVMIWGJ-RDGATRHJSA-N 458.606 5.183 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1803090291 ZPZHCLFKKUEBDK-NBGIEHNGSA-N 477.008 5.304 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)cc2F)c1 1803876998 JANBAKBLCXJFIK-RUGDWHBFSA-N 474.363 5.325 30 20 JKED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(Br)cccc2-c2ccccc2)C3)CCC1 1804112994 ZDPVMHSUWAYKQT-ACDBMABISA-N 492.417 5.062 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)COc4c(Cl)cc(Cl)cc4Cl)CC3)C2)C1 1804776387 VAUGUHPNBPRKAS-UHFFFAOYSA-N 485.839 5.223 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)C1 1804866554 HBQYQFTWCZBURL-UHFFFAOYSA-N 456.030 5.659 30 20 JKED Cc1cccc2cc(C(=O)N3CCC4(CCCN(C(=O)C#Cc5ccc(Cl)cc5)C4)CC3)[nH]c12 1805335128 SAIYXEYXMHMWKG-UHFFFAOYSA-N 474.004 5.026 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)CCC=C(C)C)[C@@H]1c1cccnc1)c1ccccc1 1807985712 ALDYFLDPBZEQDE-PBWSGDRGSA-N 457.618 5.031 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)c1 1809617375 IJRJXIJRYFYMLB-AUZDNXPLSA-N 498.671 5.198 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3ccccc32)[C@@H]1c1cccnc1)c1ccccc1 1810447373 LYZRGNCYJKTTHT-ZVVXMFRTSA-N 491.635 5.015 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)cn3ccccc23)[C@@H]1c1cccnc1 1811341958 FQMYFHAMTVOAIX-HTLVZCCDSA-N 492.623 5.533 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812508879 RMAHJRHDZWFJAA-XUZZJYLKSA-N 487.566 5.341 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)[C@@H]1c1cccnc1 1813053738 XNKRBPASJHRRPB-QFQXNSOFSA-N 490.003 5.020 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1813226832 AOWHITVVUCIWMU-QFQXNSOFSA-N 484.625 5.062 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c(Cl)c1 1813833356 MOBSRFWWEBQKFW-BLFHIAQRSA-N 487.003 5.304 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c(Cl)c1 1813869481 HZGNSTRDAPWLNI-GVCORALISA-N 487.003 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccccc2OC)n[nH]1 1815012372 BJFUHVYMYGEANS-NRFANRHFSA-N 452.599 5.036 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3c(F)ccc(F)c3F)n[nH]2)c1 1815496125 KSSXIBDTMUGXFW-IVZQSRNASA-N 495.505 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(OC)c(OC)c2)n[nH]1 1815504227 XNEVRVPKQUBHJV-NRFANRHFSA-N 482.625 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(F)cc3)CC2)n[nH]1 1815627620 YEWJXDPNTPHYMG-UNMCSNQZSA-N 450.558 5.041 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1815656928 NWERPOAWINKXSG-MRXNPFEDSA-N 471.385 5.081 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)n[nH]1 1817792603 CUQZVEVUHRFRNP-HOYKHHGWSA-N 482.588 5.471 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)[nH]2)n[nH]1)c1ccccc1 1819634819 VVZYNEAMVJYMRM-WIYYLYMNSA-N 497.521 5.260 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820089463 LUVBWYWXVFVEDL-NTKDMRAZSA-N 491.617 5.411 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1)C(F)(F)F 1820438138 YEXXWABHBSHECM-FQEVSTJZSA-N 484.478 5.626 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)COc3cccc4ccccc34)[nH]n2)c1 1821321320 FIUNEXDRHBUXDR-RUZDIDTESA-N 493.567 5.128 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccccc3c2Br)n[nH]1 1821532079 CXPQQZDTJQEIGQ-IBGZPJMESA-N 467.367 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c1 1823212812 WNQJCJJIVVXLLF-QLRIONBGSA-N 492.583 5.537 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)cc2c1 1823215600 XMWNXKNDWQOLDG-IQGLISFBSA-N 480.572 5.446 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1)NC(=O)OC(C)(C)C 1823348311 XAIRVWGMTJVYKG-HBXUSSAYSA-N 499.656 5.008 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(Cl)cc(C)nc4c3)CC2)C1 1823700566 QYKUPMPNZMHSEP-RUZDIDTESA-N 466.025 5.396 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823928982 CCYLQMDXDZVGIG-SIBVEZHUSA-N 461.581 5.308 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1824141030 QAVWRHNCJBZOKI-AREMUKBSSA-N 452.639 5.016 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1824510085 JJGNCEMCIXGMCE-CLOONOSVSA-N 484.040 5.021 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1824541660 HVKHACZTIMSPDG-JYFHCDHNSA-N 493.673 5.616 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)CC2)c1 1826479268 QRGJJJJJFWYSKS-VWLOTQADSA-N 497.561 5.362 30 20 JKED Cc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1826493705 PLZNZUCKUNABSM-HHHXNRCGSA-N 487.644 5.130 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1 1826515698 RMIMPSICGGWDOO-HHHXNRCGSA-N 487.644 5.130 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)c1 1827330011 OKBJRUOXJNBOCS-SDKVIJGTSA-N 498.627 5.002 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 1828827784 VFDJYXDJDATQIB-AWCRTANDSA-N 491.720 5.429 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 1828830357 UUENCJWQZONRJX-FYYLOGMGSA-N 459.030 5.350 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828906969 RYAJTQMWYVGFRH-AREMUKBSSA-N 477.725 5.151 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(=O)Nc2ccccc2)CC1 1829068207 KNVHVOIJYZLATO-VWLOTQADSA-N 481.681 5.408 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)ccc2Cl)CC1 1829071757 ZMDVDHJOCLGYDK-HSZRJFAPSA-N 461.046 5.574 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(ccc5ncccc54)s3)CC2)C1 1829575841 AXPFIYOEVRQMSO-XMMPIXPASA-N 473.642 5.649 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829707398 IYJPYZFMUYQXJM-RUZDIDTESA-N 461.581 5.276 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765657 JSMUTMBFEOUQTI-JOCHJYFZSA-N 490.982 5.175 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1)C(F)(F)F 1830663342 JANBHNOZWWGPBZ-LJQANCHMSA-N 490.925 5.230 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cccc2F)CC1)c1ccc(O)cc1 1831924548 RFTGWKIUSHWKGE-NVQXNPDNSA-N 494.582 5.101 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)c3cccs3)CC2)c1 1832633382 HECWELSKEWUEFC-REHUZNOOSA-N 463.647 5.412 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)n1 1832634959 YUHPRNHAZNJABI-LYZGTLIUSA-N 486.660 5.192 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3Cc4ccccc4C3)CC2)c1 1832635566 JLALVDBEIPVPRF-PZGXJGMVSA-N 483.656 5.352 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1832708704 AKPAOKZHVGPBFC-GOSISDBHSA-N 494.451 5.420 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1832826339 MZVSSEVYTQNNGK-HXUWFJFHSA-N 487.463 5.311 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCC3)CC2)cc(C(F)(F)F)c1 1832835597 AOKPMFLXOIBXOI-JOCHJYFZSA-N 461.528 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(Cl)c3C)CC2)CC1 1836582938 ANIITGVGPQYPLK-UHFFFAOYSA-N 461.046 5.253 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3C3CC3)CC2)CC1)c1ccccc1 1838417798 JQQMFHBYXUBGOT-GDLZYMKVSA-N 498.667 5.373 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2cc(Br)cc(Cl)c2[nH]1 1847263651 HXNBVSAPBPSEGA-OALUTQOASA-N 492.845 5.392 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(C)cc2)cc1 10173144 UXGUYWNAUXIBST-UHFFFAOYSA-O 454.413 5.658 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)cc2)cc1 10832100 JKCXIZIMFALQLC-UHFFFAOYSA-O 473.996 6.860 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11169677 MLUZRWMLMKYLJK-UHFFFAOYSA-O 469.605 6.372 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1cccc(C)c1 11450571 AWJRJFQHLHAIKF-UHFFFAOYSA-N 477.815 5.586 30 20 JKED N#CCCN(CCC#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 12693888 MYGWYTZGSPVNKT-LVZFUZTISA-N 498.970 5.188 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(C)c2)c(Cl)c1 15248350 WQTRIWVIMJSTLF-UHFFFAOYSA-O 450.436 6.319 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(C(CC)CC)cc2)cc1 22727266 GJOABXBJUDCSOG-UHFFFAOYSA-O 483.604 6.606 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nc2sc(C)c(C)c2c1=O 23405196 LLCVYKNQJLXGDP-HZPDHXFCSA-N 459.662 5.167 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nn(-c2ccccc2)c(=S)s1 23499851 IRDVOBHQLBVMQF-OAHLLOKOSA-N 456.618 5.099 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccoc1C 23519365 LFNRLPARKVHYKL-IBGZPJMESA-N 458.587 5.743 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 23998680 XUTWOMQBFHMFSO-IBGZPJMESA-N 461.635 5.516 30 20 JKED COc1cccc(NCc2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)n2C2CCCCC2)c1 25255963 AYNZUBDXSPJRDR-XMMPIXPASA-N 461.635 5.939 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 25558284 TYJDQDMFVZCDRF-INIZCTEOSA-N 473.602 5.032 30 20 JKED COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C(C)(C)C#N)cc3)[C@@H]2c2ccccc2OC)cc1 25841152 UFTWBVFEVLABNN-NAKRPHOHSA-N 497.595 5.628 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1 33228057 SDVREIZBRDOZQD-UHFFFAOYSA-N 451.551 6.077 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nc2sccc2c1=O 36855156 UHJUPGCADCAPAQ-UHFFFAOYSA-N 482.656 5.640 30 20 JKED CC(C)(CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 68803164 OPRJQRPTCOPOSR-UHFFFAOYSA-N 487.387 5.423 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cc1Cl 72098123 HLDQOZJLEMDCPP-IEBWSBKVSA-N 465.859 5.097 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 195707099 YFSIBCKZJJHCSD-UHFFFAOYSA-N 483.955 5.447 30 20 JKED C=CCN(C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)c1nc(-c2ccccc2)cs1 208738340 RJWVJEYKDYNSBF-CYVLTUHYSA-N 493.654 5.042 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(-c2ccccc2OC)n1 255931353 XYRJYXAPGIZJFA-UHFFFAOYSA-N 485.034 6.121 30 20 JKED COc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OCc1ccccc1 480430564 IATNQUAQDHYCRN-UHFFFAOYSA-N 457.574 5.514 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2F)c1 481691177 VXGWMVIQINFOHF-DEOSSOPVSA-N 467.447 5.160 30 20 JKED Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1NC(=O)c1ccccc1 487389931 VEPDKGUYBAYDQB-UHFFFAOYSA-N 452.539 5.419 30 20 JKED C=CCn1c(Sc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)nc2sccc2c1=O 488015138 QKPUGSGJBCPPTH-UHFFFAOYSA-N 487.397 5.207 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 504634347 KWRSYQJLWSJEID-SFHVURJKSA-N 475.408 5.184 30 20 JKED Cc1nc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)sc1SCC#N 504702035 ZJBPOTSKRIIDLM-UHFFFAOYSA-N 499.624 5.989 30 20 JKED N#CCCCCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 505080849 HINXSOCLURZDFG-UHFFFAOYSA-N 482.005 5.159 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1Cl 505644919 LYLQQGBUFSSFOQ-JOCHJYFZSA-N 465.912 5.365 30 20 JKED N#Cc1c(NC(=O)CCc2ncc(-c3ccccc3Br)o2)sc2c1CCCC2 506249055 YMXBZXDWEDSUPU-UHFFFAOYSA-N 456.365 5.487 30 20 JKED Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)nc1 510041444 DFQPUAYRCWILAA-QHCPKHFHSA-N 487.991 5.582 30 20 JKED Cc1cccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nnc2-c2ccccc2)c1 510416446 ZGQXZGSMEIADQI-UHFFFAOYSA-N 471.611 5.589 30 20 JKED CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1 513677381 VQVINUWCSDUBGL-IBGZPJMESA-N 481.986 5.265 30 20 JKED N#Cc1cc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)ccc1OCC(F)(F)F 516108605 GJWDSVROEHSOOD-UHFFFAOYSA-N 472.648 5.649 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 517474040 LDDRHHJILVFJOW-WZONZLPQSA-N 473.577 5.990 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)n2)cc1 517800996 VSQUXIZTYPEEQA-QGZVFWFLSA-N 486.450 5.652 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc1C 518897686 LKGZBSVBPATFID-UHFFFAOYSA-N 491.595 5.305 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)c2)cc1 520586050 DRLYFMYCTLXIAK-UHFFFAOYSA-N 492.583 5.528 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 520631888 JOIRQUIZMGUPJF-UHFFFAOYSA-N 478.468 5.288 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Br)ccc1F 521713998 XWWLMAUUIKCRAS-UHFFFAOYSA-N 483.306 5.414 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 521796031 GRTPBNMFSVLNTA-LJQANCHMSA-N 456.546 5.272 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)CCc2cccc3ccccc23)cc1 522499767 FXICCYDFYJSWLD-UHFFFAOYSA-N 479.536 5.152 30 20 JKED Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1ccc(COc2ccccc2C#N)o1 524377771 RAAOPQIKBKCCKB-QHCPKHFHSA-N 452.514 5.413 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Br)cc3)c2)cc1 524711972 UMBUQIDDKWDIDJ-QHCPKHFHSA-N 490.357 5.356 30 20 JKED Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1NC(=O)c1ccccc1F 603638090 PILLHUKDPZKEPP-UHFFFAOYSA-N 453.473 5.698 30 20 JKED C=CCN(C(=O)c1ccc(OC)c(OC(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603728535 CDGIJZYVJIQGEJ-UHFFFAOYSA-N 461.446 5.161 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1Cl 603766688 TZCZXQISXOGERZ-QHCPKHFHSA-N 455.945 6.612 30 20 JKED N#CCSc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Br)cc1F 604009780 YUFJPLYVRPJDDE-HSZRJFAPSA-N 484.394 5.522 30 20 JKED Cc1ccccc1[C@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 608796908 KCENDOAXOLVWMU-RDPSFJRHSA-N 457.961 5.259 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)cs1 609061821 YPBKIFDGZLGJDP-UHFFFAOYSA-N 485.634 6.755 30 20 JKED N#C[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 609172939 GTYUQNYOHDXIFZ-NDEPHWFRSA-N 496.588 5.234 30 20 JKED COc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1OCc1ccc2ccccc2n1 609254595 YTVWANOWXVVGCG-UHFFFAOYSA-N 456.477 5.155 30 20 JKED N#CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2c(F)cccc2Cl)CC3)CC1 609328288 ICDHWSHGHGOQRS-WUKNDPDISA-N 474.967 5.232 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609427682 AGFZQTBCZHSZQD-MRXNPFEDSA-N 461.547 5.056 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3ccc(NS(=O)(=O)c4cccs4)cc3)cc2)c1 609429494 DMGSWFSLVSVLDP-UHFFFAOYSA-N 489.578 5.394 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)c1 613403848 VVUCATOMJHGBDZ-FQEVSTJZSA-N 491.956 5.466 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 620890535 WWIQBLKBQGRBPR-ARFHVFGLSA-N 454.430 5.063 30 20 JKED N#C[C@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(O)c2c3c(sc2n1)CCCC3 622977771 XBINCUWLWIUYST-CYBMUJFWSA-N 466.975 5.543 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCc2ccccc2)cn1 726109843 DMPQHQDVOJSZNR-HSZRJFAPSA-N 493.608 5.025 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccc2)cn1 726110205 GNSDQBKPRRVRNV-DEOSSOPVSA-N 483.597 5.217 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C[C@H](C)c2ccc(F)cc2)cn1 726114105 VEUCODXGLRJMKP-MBSDFSHPSA-N 493.608 5.115 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 726322511 WVDJSRFMMMAEHR-UZLBHIALSA-N 456.502 5.276 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 726397773 IZMIYBJSGHIHPT-BEFAXECRSA-N 494.444 5.687 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2C)[n+]2ccc(C(CC)CC)cc2)c1 726573227 SDPUQYGEIFHQLE-UHFFFAOYSA-O 455.647 6.799 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC)c(Cl)c1 726889859 HTSYZHQTUBCJAB-IBGZPJMESA-N 463.962 5.248 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727305455 NZIOMCLDBZJVGO-HSZRJFAPSA-N 452.583 5.807 30 20 JKED N#Cc1ccc(N2CCN(C(=O)CCC(=O)c3ccc4ccc5cccc6ccc3c4c56)CC2)nc1 727755903 IZJGOFORUUVTTR-UHFFFAOYSA-N 472.548 5.162 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 728422157 CWGDPJNDKHPGHK-KSFYIVLOSA-N 489.988 5.328 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 728424349 ZLSFEXYBYMOWBL-CYFREDJKSA-N 483.597 5.292 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1F 730685778 IGRFCAHAJMGMJE-HNNXBMFYSA-N 479.480 5.449 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2cocn2)C1=O 730729400 LUGAHAPFIOZXRM-OXCJDURQSA-N 498.630 5.115 30 20 JKED C=C1CCN(C(=O)c2cc(S(=O)(=O)Nc3cc(C)ccc3Br)ccc2Cl)CC1 731052127 HDITXKPSOYZHSN-UHFFFAOYSA-N 483.815 5.004 30 20 JKED COc1ccc(-c2nc(SCc3ccc(Br)cc3Cl)nc(O)c2C#N)cc1 747062121 DKWSXWVZLDGISQ-UHFFFAOYSA-N 462.756 5.438 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2nccs2)cc1 747601806 HXEAXELJVJEGJC-NRFANRHFSA-N 478.643 5.470 30 20 JKED CC[C@H](C)Oc1cc(C=Nn2c(S)nnc2-c2cccc(Br)c2)ccc1OC 749444827 XHNLKIJBYLQOBB-ZDUSSCGKSA-N 461.385 5.064 30 20 JKED CCOc1c(OC)cc(/C=C2\SC(=NN=C(C)c3cccc4ccccc34)NC2=O)cc1OC 750894313 VTHGYPZQYOEKCU-VVIWAWFJSA-N 475.570 5.240 30 20 JKED Fc1ccccc1COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1 767199251 OOFQUYMWCAYFJX-UHFFFAOYSA-N 452.942 5.824 30 20 JKED CCCCCCOc1ccc(C=Nn2cnc3ccc(Br)cc3c2=O)cc1OC 767315470 WPNVEERHIZWEGT-UHFFFAOYSA-N 458.356 5.009 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CC(F)(F)F)c(C)c1 799216165 UFTWCIZCZTXMON-GOSISDBHSA-N 494.495 5.043 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c1 799216679 FSSJOADZLZAGBC-IBGZPJMESA-N 463.525 5.443 30 20 JKED C[C@@H](OC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 825366273 UVMDHRCTAOJCIW-SECBINFHSA-N 473.765 5.018 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1F 838229507 GWZKSCYMJASTSV-VGSWGCGISA-N 462.550 5.251 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)cc1F 838257836 LSBMMVSSVQHJJJ-IVZQSRNASA-N 498.530 5.529 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@H](C)c1cccnc1 838491647 LFSVJPKCNVZMLP-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 904493164 NJRXCIBBHHVCSQ-HXUWFJFHSA-N 479.968 5.843 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 914552452 BGNVVGBZQAIKCW-NTKDMRAZSA-N 472.614 5.043 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCCC(C)C)C1=O 914555679 KFJHYBOGVWMTQY-HSZRJFAPSA-N 496.633 5.050 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc(F)c2)C1=O 914772660 JSHKJTLAWWHHMG-JOCHJYFZSA-N 481.524 5.134 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccc(F)c1 914773103 XFCDLMTZTBQMBM-QFIPXVFZSA-N 499.514 5.273 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1 915187676 RMGHKXMULKOKBK-KRWDZBQOSA-N 461.326 5.148 30 20 JKED CCOc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915784654 YTAMSPZKXCPWHL-WDYNHAJCSA-N 489.575 5.585 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(\Cl)c3nnc(C(=O)Nc4ccccc4)s3)c2)c1 915987110 SKRQYVSHLVJQHT-HMAPJEAMSA-N 472.957 5.978 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(Br)cc2Br)ccc1OCC#N 916140330 MRBLOPYVOVYVLW-QHHAFSJGSA-N 451.114 5.019 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)c1)c1ccccc1Cl 916333335 JFRAAJDKYPMPJS-UHFFFAOYSA-N 499.930 5.623 30 20 JKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846436 VKMLWPYRMKGCGR-ZWNOBZJWSA-N 478.426 5.940 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)cs1 916888105 UUDPNGLEJPULKH-IBGZPJMESA-N 473.526 5.306 30 20 JKED COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC(F)F 916906424 QXIUXFKJDOGRML-KRWDZBQOSA-N 452.413 5.050 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916910552 SZJLHITWFGSDQT-DEOSSOPVSA-N 490.519 6.084 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 916919334 WMIWVPANNCZKKE-QFIPXVFZSA-N 455.539 5.074 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916927508 LBBZFEJRQVFKSQ-OAHLLOKOSA-N 458.326 5.268 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2c(C)c(C)sc2n1 916928589 OGFVAHPULDDXPX-ZDUSSCGKSA-N 479.414 5.363 30 20 JKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc(Br)c1OC(F)F 917144220 BODPRCQYLLSLJL-OQLLNIDSSA-N 483.334 5.568 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1c(C)cccc1C 917658494 HLAVZZSFBQUKJP-IBGZPJMESA-N 493.551 5.319 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1[C@@H](C)c1ccccn1 917661390 CQAMAOOSNVCHHQ-YADARESESA-N 487.629 5.178 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2F)s1 917662599 FCKURPPDWMEAKJ-OAQYLSRUSA-N 467.591 5.034 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 917699743 BTCUZGGYLRLGHI-HSZRJFAPSA-N 461.587 5.227 30 20 JKED O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918670129 ILLZWHZCZQJHHC-KBPBESRZSA-N 486.334 6.096 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)s1 920169690 UZQSMICNRUCJFC-VGSWGCGISA-N 474.611 5.650 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)c2ccc(C)s2)C1=O 920169893 IPBAXPVJNAOJML-OPAMFIHVSA-N 497.617 5.926 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(SC(F)F)cc2)s1 920171248 RNJAHSYKVDTQCW-UGSOOPFHSA-N 495.642 5.733 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3c(C)noc3C)C2=O)c1 920354677 DZSLGPFJKCWKII-HSZRJFAPSA-N 494.592 5.516 30 20 JKED C=CCN(C(=O)Nc1ccc(C)c(NC(=O)c2ccccc2I)c1)C(C)C 920873455 FNAPJOSPLHLZHP-UHFFFAOYSA-N 477.346 5.280 30 20 JKED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccccc4Oc4cccc5ccccc45)C3)C2)C1 1782112111 WBHYTVLFHYSSMS-PMERELPUSA-N 482.580 5.042 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)c1 1785788217 QJRIZQXPHUJHFY-UHFFFAOYSA-N 495.366 5.330 30 20 JKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)cc1 1786201594 MWFXPZKGIQWIGH-UHFFFAOYSA-N 495.579 5.368 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CCC2)cc1 1787647314 BRLZEAMPNGLQSX-UHFFFAOYSA-N 454.555 5.558 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnccc3F)cc2)CCC1 1788353142 JKRAULPLPJSKNW-UHFFFAOYSA-N 451.618 5.020 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4csc(-c5cccnc5)n4)cc3)CCC2)c1 1788676286 XQCLRAAXXBAKHA-UHFFFAOYSA-N 479.565 5.138 30 20 JKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)/C=N/N3CCCCC3)cc2)CCC1)c1ccc(Cl)cc1 1789513037 MRIIJTKVLVBHTF-AZFHEMCLSA-N 467.013 5.049 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c(-c5ccccc5)cn5ccccc45)cc3)CCC2)CC1 1790033723 ZLJSARDLEOXJKG-UHFFFAOYSA-N 474.564 5.658 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1790564290 WIBSYUPUHWSEOR-INIZCTEOSA-N 466.969 5.370 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)CCC1 1790675660 DPOFADOKIVXMTK-OAQYLSRUSA-N 461.606 5.016 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCC(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1791255806 HOCSJKLPOYUIBZ-QFIPXVFZSA-N 471.642 5.416 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3C(F)(F)F)CCC2)cc1 1791299648 UUTRNVYWMPNJSM-UHFFFAOYSA-N 453.411 5.060 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123946 VBDNGTKDGJAXRB-GOSISDBHSA-N 493.563 6.135 30 20 JKED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)c(O)n1 1794827436 IUVPVRACEFWLDR-WKCHPHFGSA-N 495.579 5.371 30 20 JKED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cccc3s2)ccc1F 1797649789 LBEHVTGBNYRULI-BCDXTJNWSA-N 481.980 5.060 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1C#N 1797779272 PKWDZQUIJSWAJA-QERLCLQCSA-N 492.019 5.054 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(F)cc(Cl)cc1Cl)C2 1798420849 PBYWGZXZMBEDDO-BCDXTJNWSA-N 483.487 5.435 30 20 JKED CC1=CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1800504745 KWZKFJNFAINAHN-WOHWVRMTSA-N 452.598 5.085 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2)C(F)(F)F 1801701999 NQDBAKHEXODGSE-QDMKHBRRSA-N 479.326 5.151 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)CC2)C1 1805458215 BBEIPSKBPRXGEU-HOFKKMOUSA-N 477.693 5.115 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4cc(F)ccc4s3)[C@@H]2c2cccnc2)c1 1809848976 QJJHUPGGNYVCSD-IBVKSMDESA-N 498.583 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)[C@@H]1c1cccnc1 1810171037 CFRBEERAENYTOB-YZUZCNPQSA-N 465.663 5.529 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1810493880 BBFZNAHBWPMABH-WNCULLNHSA-N 472.633 5.194 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811270547 AFUCCJKJIFKGMM-FESMNKHTSA-N 470.617 5.021 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[C@@H]2c2cccnc2)C1 1811366810 DVCOZHFZPNJMLL-VFNWGFHPSA-N 495.904 5.179 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1812697813 NLFBLKCJFYIBAI-DDZLNHKNSA-N 490.648 5.276 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)[C@H]2c2cccnc2)cc1 1812955504 BDBKEQJCIQFURE-DOEKTCAHSA-N 481.706 5.017 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1813225587 UNPFYORPHQSDEN-MSLLRLGPSA-N 480.052 5.374 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@](C)(OC)c2cccc3ccccc23)n[nH]1 1814407732 BPOBPXZYFYQKKR-SVEHJYQDSA-N 486.616 5.310 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)[nH]n1 1814441921 UNALHKJYYKXYKY-MRXNPFEDSA-N 451.493 5.055 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CC(C(F)(F)F)(C3)C4)n[nH]2)c1 1815346083 LVRWDIKGTVBNLJ-OHFYVQBDSA-N 485.510 5.075 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815684876 WGOLJUFNIKYTJM-JOCHJYFZSA-N 471.001 5.108 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CC3)n[nH]2)cc1Cl 1817113506 NQBFVYJBXWICDI-GOSISDBHSA-N 490.391 5.113 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)n[nH]2)c1 1818931374 NSSGHIPHQBKPSA-UTADQONYSA-N 489.620 5.202 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Br)cc3s2)n[nH]1 1819076588 PVKIEXNDERGVBV-QGZVFWFLSA-N 485.407 5.106 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)[nH]n1 1819556018 OTTAVDVIJQGSCQ-LJQANCHMSA-N 483.016 5.318 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)[nH]n1 1819556539 DISDRKNFTBBITJ-CHHLAKQQSA-N 450.583 5.116 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1)c1ccc(O)cc1 1820901944 JYBIPYCCDDCMGR-XOAPRFQVSA-N 474.605 5.051 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)n[nH]1 1821007841 ZGTFKCAXQVMGBW-DHLKQENFSA-N 477.515 5.217 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)[nH]n2)c1 1823210742 HRQFUBMTOATOJL-IERDGZPVSA-N 469.536 5.168 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccccc3Cl)[nH]n2)c1 1823212314 SYEHVECYMGPXFL-SBUREZEXSA-N 475.980 5.239 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccccc3)[nH]n2)cc1C#N 1823290566 GLNJKRAIBBFTBF-XMMPIXPASA-N 485.588 5.007 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)[nH]n2)cc1C#N 1823290900 GCSSYVQTJHNBRW-RCZVLFRGSA-N 489.551 5.085 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823311769 PGTOMFOYKAYLEZ-YJBOKZPZSA-N 499.862 5.086 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)cc1 1823683297 NCUFKMBKAFAXSD-RUZDIDTESA-N 486.641 5.034 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)cc1 1823683626 YJVMDRCRINOSPZ-QHCPKHFHSA-N 499.442 5.126 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823684511 ZTBKDPSRRKKNRB-WGHVAGTHSA-N 475.658 5.276 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824326461 PEFNWDIIDAYZHP-QHCPKHFHSA-N 476.995 5.137 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 1826422448 IAKSCDHVVQJKKQ-CVJWPJSTSA-N 456.696 5.355 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)CC2)c1 1826478372 GSSIKAWERDKLIC-XMMPIXPASA-N 483.534 5.053 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1827728833 IAMZUVWXPRAMKF-SHQCIBLASA-N 490.648 5.087 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c1 1827780035 UNTXTTAQSQQZAY-JTSKRJEESA-N 487.522 5.473 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827854390 JTDRYUCDAGDYKB-NRFANRHFSA-N 466.544 5.609 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)cc1 1828514744 PNPDKAPBIHDQFU-HHHXNRCGSA-N 486.591 5.045 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828676421 ULFYUWMCJJXMGB-OFNKIYASSA-N 451.636 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 1828829907 JYDXUEOHQBISMT-CYXNTTPDSA-N 486.100 5.331 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1)c1ccccc1 1829139930 PWTHIWYZNNXOOX-LADGPHEKSA-N 499.577 5.464 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1829564111 GGBKNKAGGPJWOB-RUZDIDTESA-N 456.590 5.039 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Br)cccc2-c2ccccc2)CC1 1829674236 DWSDTUSELKVVAM-QHCPKHFHSA-N 494.433 5.263 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1Cl 1829693311 YSUYGBUXKUTKPE-ISJGIBHGSA-N 476.020 5.249 30 20 JKED Cc1nc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)ccc2s1 1829955042 XFDVKVWEQCZWLR-XMMPIXPASA-N 472.614 5.024 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(O)c2)CC1 1830581059 RTZHYMHBHSRJGC-UNMCSNQZSA-N 489.454 5.156 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)CC1 1830637410 MOEPJOILKQWXNM-DQEYMECFSA-N 461.606 5.343 30 20 JKED CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1830717732 NDSARVQCOVTTPM-BVAGGSTKSA-N 461.581 5.124 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1830811943 XUDNGIWBJMMKQL-DNQXCXABSA-N 466.622 5.003 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1)c1ccccc1 1830862133 PDYKPJCZMIDHQA-BHBYDHKZSA-N 493.651 5.665 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1831369482 AKCZJCUYKCDUHS-PGRDOPGGSA-N 450.545 5.080 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1)C(F)(F)F 1831455756 PGTPFHUDUNQDBW-SFHVURJKSA-N 481.317 5.484 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1831521130 PUDXCJSLPMKOEZ-QDPGVEIFSA-N 471.645 5.488 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831726021 NMECJHRBFXWLNU-SHQCIBLASA-N 479.640 5.628 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2Cl)CC1)c1ccc(O)cc1 1831924451 LVHSOXDVASICHM-XUZZJYLKSA-N 483.008 5.069 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)CC1 1832036426 BLWYTPASZHUDPI-VWLOTQADSA-N 454.680 5.339 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccncc34)CC2)c1 1832634409 QZYXYNJFPXWXQL-LYZGTLIUSA-N 480.612 5.409 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)sc3Cl)CC2)CC1 1836019522 DDACKCGLQJBDTA-UHFFFAOYSA-N 484.493 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)CC1 1837671306 RHZIEJMZCDBVKO-UHFFFAOYSA-N 476.661 5.373 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)ccc3OCC)CC2)CC1 1838373583 XTARBPPFQOTRCG-HSZRJFAPSA-N 489.056 5.119 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)C1 1845882879 ZKCODUKBUOUQJI-GOSISDBHSA-N 450.545 5.091 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)cc1C 10171041 CHCJAUKPOGYLBJ-UHFFFAOYSA-O 483.613 6.448 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2CC)c1 10174519 VBZDSNXZOUJCSH-UHFFFAOYSA-O 458.434 6.457 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nc2sc(C)c(C)c2c1=O 11970863 WFYHWICSWCTJMF-UHFFFAOYSA-N 487.050 5.262 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)nnc1-c1ccoc1C 18406264 XLKFLMHLCXWLRU-UHFFFAOYSA-N 451.596 5.144 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc2scc(-c3ccccc3)c2c1=O 22118485 OGXCMJBTCAOBLS-KRWDZBQOSA-N 478.643 5.134 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc2c(c1)CCCC2 22728213 RBADISHAYCJBEU-UHFFFAOYSA-O 471.980 6.144 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 23078164 IRODYJWXPVFGQY-UHFFFAOYSA-N 474.586 5.260 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 24507446 SLLGJNJDNPFJSH-UHFFFAOYSA-N 494.557 5.320 30 20 JKED N#C[C@@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1nc(-c2ccccc2)cs1 26023089 NZGMDZMIPMFCQY-SFHVURJKSA-N 484.631 6.450 30 20 JKED COc1ccc(CNc2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)s2)cc1 28251555 DSJDHJNOXFIROX-GOSISDBHSA-N 481.647 5.203 30 20 JKED Cc1nc(CSc2ccc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc2)cs1 28896034 QTEQNAIDTLFJGS-ZDUSSCGKSA-N 483.640 5.350 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 39477294 FIZXJXNKCWMTTD-UHFFFAOYSA-N 471.380 5.155 30 20 JKED C=CCn1c(SCc2nc(C)c(C)o2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 72014608 NNFGRMKAPDQEJD-UHFFFAOYSA-N 467.598 6.552 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 97542489 BOTXUUOEOREVSF-UHFFFAOYSA-N 463.493 5.742 30 20 JKED Cc1cccc2c(=O)n(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cnc12 107647740 UKKOSZPJXZDYOR-JOCHJYFZSA-N 456.933 5.043 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(C#N)ccc2OCC)c1 108903485 XMJQAXPCPJBNJC-UHFFFAOYSA-N 495.988 5.244 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)cs1)c1ccc(F)cc1F 207260352 BICQMQFSRWXRQW-LUAWRHEFSA-N 484.528 5.532 30 20 JKED CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C#N 255930658 LZWHXLRYUDCDEQ-UHFFFAOYSA-N 469.998 5.159 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2o1 302657761 SGHUFONMVCPJTJ-QGZVFWFLSA-N 455.539 5.526 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 303166444 AQVNFKKJCCIGRH-UHFFFAOYSA-N 468.406 5.196 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 303335440 XLAIUBWCLPJKKG-INIZCTEOSA-N 463.024 5.317 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481297735 VMOZKTBKUCSINC-UHFFFAOYSA-N 497.929 5.446 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)C)cc2C)c1 482543717 MJEZVMCIWQYKIZ-UHFFFAOYSA-N 484.021 5.348 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501449513 JUXFZUDUHMXYRU-VWLOTQADSA-N 475.976 5.378 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)n1 502587322 UBCVPNGZSLKZOD-UHFFFAOYSA-N 477.615 5.357 30 20 JKED CCCCCOc1ccc([C@H](C)NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC 503095120 DRWYDIZGLGDTPB-QFIPXVFZSA-N 478.637 5.114 30 20 JKED C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)c1ccc(C#N)cc1 505310504 KOBGVCNRSBHXQM-CQSZACIVSA-N 470.426 5.851 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 507086461 HYXOQBNTTVVLRC-UHFFFAOYSA-N 471.443 5.171 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OCC(=O)N1CCCCC1 507935539 IYDZIVQAPYOFTE-UHFFFAOYSA-N 499.567 5.393 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 508255548 CWCRZUUWMVVFCD-UHFFFAOYSA-N 480.952 5.636 30 20 JKED COc1ccc([C@@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Br 511362056 KGOKLNFGKDYMIE-QGZVFWFLSA-N 494.389 5.985 30 20 JKED CCC(CC)(CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 511519046 BIFWMDWUFZCHSA-UHFFFAOYSA-N 467.013 5.330 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(I)c(F)c3)n2)cc1 511765699 VLCYMYKFIVUXRZ-CQSZACIVSA-N 478.286 5.052 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCC(=O)Nc3cccc4ccccc34)c2)cc1 513985223 MENMBLFEFNRJMA-UHFFFAOYSA-N 464.525 5.245 30 20 JKED C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515651392 IMKDDOFEHWMEIQ-QGZVFWFLSA-N 465.347 5.500 30 20 JKED CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515919320 LVCWDRGYJDQJKQ-AHWVRZQESA-N 489.019 5.133 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 517465039 SKOKWLBWXMWRND-KNQAVFIVSA-N 482.609 5.306 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cc(F)c(Cl)cc1Cl 518248375 GHIVSMGBSNORKR-NEPJUHHUSA-N 454.354 5.343 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1 518739079 MMYSHODGAYBWLT-LJQANCHMSA-N 479.627 5.467 30 20 JKED COc1ccc(COCc2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)cc1 520015921 QDSOLXHHIIJEDC-UHFFFAOYSA-N 494.616 6.828 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)sc2n1 520427489 LFJIKGAVUDEYJI-NSHDSACASA-N 486.525 5.047 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)cc2)cc1 520659320 JHQIVEUHWOMDHT-SANMLTNESA-N 465.484 5.334 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1Cl 520833920 ODKPEZKMGKDREG-CQSZACIVSA-N 455.432 5.996 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cc2)cc1 524305524 SBLDVNILBKCVJC-RUZDIDTESA-N 486.959 5.984 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 553320025 MWCGTGXWPCAHDL-RDJZCZTQSA-N 467.513 5.003 30 20 JKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)c2)C1 553625468 KECCLMYQTJSADW-RDPSFJRHSA-N 486.620 5.176 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2CN(C)C)nnc1-c1ccc(Cl)cc1Cl 556664552 MRCDCDWJNWXQCR-UHFFFAOYSA-N 476.433 5.230 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 561179067 YMDFEQGOOQQXJF-CYBMUJFWSA-N 471.932 6.121 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)C[C@H](C)c2ccccc2)c1 589383550 JYMXXEMTYVGJEZ-FQEVSTJZSA-N 483.033 5.597 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4c[nH]c5ccccc45)o3)c2C#N)C1 589939158 VTWBXKHEZPYMDB-CYBMUJFWSA-N 463.588 5.397 30 20 JKED C=CCN(C(=O)c1cnn(-c2ccccc2F)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 592995939 HYDHXIZEACNLIM-UHFFFAOYSA-N 463.494 5.184 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)CC1 603460292 SWXQZZYAOYTFFW-BAMUOBTLSA-N 492.554 5.476 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 603523726 RWKDVAVLJFMZPY-UHFFFAOYSA-N 450.542 5.530 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cn2)c1 603621865 AELJTBMNMCABIX-UHFFFAOYSA-N 458.481 5.246 30 20 JKED C=CCN(C(=O)c1ccc(NC(C)=O)c(SC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603776537 VDOHFPFOWCTKFT-UHFFFAOYSA-N 468.560 5.231 30 20 JKED CC(=O)N(c1nc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cs1)c1ccccc1F 603818489 OAAXNCUSSMAUPT-UHFFFAOYSA-N 490.585 6.274 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)cc2Cl)cc1 604027130 HTOHXWRFZQXFLL-UHFFFAOYSA-N 478.917 5.487 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCc1nc(-c2cc(Br)cs2)no1 604122605 WJAIAMBATKFQMM-UHFFFAOYSA-N 454.309 5.232 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cc2ccccc2o1 604133509 MSLBQGQXEQXCHF-IERDGZPVSA-N 457.917 5.558 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)c2)cc1 604153028 RDKIALNULBXJJV-HHHXNRCGSA-N 485.559 5.457 30 20 JKED CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604444024 MQGWAKIQOVBTIR-UHFFFAOYSA-N 483.494 5.360 30 20 JKED CCCCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H](C)c1ccc(C)o1 604500683 WMVDCCGOKLEZEZ-MRXNPFEDSA-N 455.609 5.999 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Sc3nccn3C)cc2)cc1C 609006789 WWPKKEAPQZXZTD-UHFFFAOYSA-N 456.575 5.218 30 20 JKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(OCc2ccccc2)cc1 609028283 RFJHZLFDGCOOMN-XMMPIXPASA-N 471.944 5.888 30 20 JKED CCc1c(C)sc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C#N 609033443 UHIFSORWYFFMML-UHFFFAOYSA-N 493.698 5.920 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1sccc1Br 609068494 LASLMTYMTUHREO-UHFFFAOYSA-N 463.378 5.071 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(N2CCCCC2)nc1 609079243 QRZUVECEBBEWIS-UHFFFAOYSA-N 455.562 5.153 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(F)cc3I)c2)cc1 609177492 YQEMOJZFSHFQTF-UHFFFAOYSA-N 458.230 5.347 30 20 JKED CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 609377284 BFXGMGYLXXOSCL-IBGZPJMESA-N 485.675 5.101 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cccc(C)c1C 613425150 ZAULLGIMQWNHNJ-QGZVFWFLSA-N 456.999 5.433 30 20 JKED C=CCOc1c(Br)cc(CNC[C@@H]2CCCO[C@H]2c2ccccc2)cc1OCC 620120432 GDCMBMIKHMWGFT-REWPJTCUSA-N 460.412 5.670 30 20 JKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622379439 ULVGXBQPTHXDRZ-UHFFFAOYSA-N 476.364 5.715 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1OC 642622428 YPGLRCXQYFQUHO-HNNXBMFYSA-N 474.399 5.157 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)C1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 726321833 NSCAMZATZGBQRO-INIZCTEOSA-N 450.391 5.380 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CC[C@@H](C)OC)C2=O)cc1Cl 726397259 HILKOUOOMGOMKS-IERDGZPVSA-N 490.025 5.042 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)c(F)c1 726415038 DWHHYGJZOCXJQK-JOCHJYFZSA-N 463.534 5.134 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1Cc1cccs1)c1cccs1 726415171 FLAFCCHZZMJTEH-DBWWPXIRSA-N 499.639 5.098 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CC1)c1cccs1 726421776 PNCWQTNRPUXVNR-FSBAEXNWSA-N 478.437 5.063 30 20 JKED N#CCCCOc1cccc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c1 726801660 JPFUUZNGTHMYMQ-UYRXBGFRSA-N 462.518 5.789 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCCCC#N)C1=O 728776504 CIAUPGMERMFZFU-FQEVSTJZSA-N 470.982 5.003 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 729317793 YJQGLOXJRJZPEN-XMMPIXPASA-N 486.572 6.039 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ncccc2C)c1 729634696 RCQXXAZCVAALPH-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(Cl)cc2)cc1 729668643 MGKYCAGEUYTRTR-UHFFFAOYSA-O 486.013 5.962 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cc(C)ccc2F)cc1 729670345 PFRIIHKSQMZGKJ-UHFFFAOYSA-O 483.585 5.756 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2F)cc1F 729818515 WHYPAAFCRVPRSX-QHCPKHFHSA-N 490.535 5.305 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)cc1 730461289 AWFKQNAWOZBQEX-HSZRJFAPSA-N 479.602 5.189 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1=S 730564351 QQRJVTHFSCDYOK-UHFFFAOYSA-N 478.062 5.209 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cocn3)C2=O)cc1 730713981 VETSTABVCRVKSM-HSZRJFAPSA-N 492.601 5.241 30 20 JKED Cc1ccc(/C=C\C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(Br)c1 731066688 FIGTZTLPOJQRGN-ZBTGYSDGSA-N 473.392 5.347 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccc(Br)cc1 731075152 WJENIOHGSFFWOE-HUUCEWRRSA-N 493.448 5.506 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(OC)cc2)s1 731304965 DCRCYGDBXNRSOS-JOCHJYFZSA-N 495.626 5.185 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1cccs1)c1cccs1 731312770 RSIDCAACNBABTL-ZGHKWNEASA-N 499.683 5.536 30 20 JKED CN(C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1)C(=O)OC(C)(C)C 731400860 VYLXKTOZOMNKKQ-IBGZPJMESA-N 450.539 5.071 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 732526769 UYKLRTYBNSATCD-HSZRJFAPSA-N 485.748 5.357 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc([C@H](C)N(C)C)n(-c2ccc(Cl)cc2)c1=S 746033811 YVKBFXWIIUWNKT-SFHVURJKSA-N 469.058 5.419 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cscn1 747603313 RZUOSJFWNAIJDZ-QHCPKHFHSA-N 486.622 5.765 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 749313833 UYSVZRRVMMMTJT-LJQANCHMSA-N 477.586 5.398 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 749338964 VRXOKIMKEYIWER-INIZCTEOSA-N 457.914 5.351 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O 799218702 DTRZNNJDEVWKEU-INIZCTEOSA-N 489.878 5.010 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 834398084 ZGLJLELMGMMETB-HXUWFJFHSA-N 471.586 5.322 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1F 837302060 QVZJIEYNDIYFOG-LJQANCHMSA-N 475.517 5.326 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1F 837773213 HPGDVKQOCGBERN-LJQANCHMSA-N 475.517 5.326 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(NC(C)=O)c1 913120736 NROFBCJDLPJMRC-SFHVURJKSA-N 493.416 5.322 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)cc(C)c1 914545703 GPUPKPHFDSQXKY-JOCHJYFZSA-N 492.576 5.007 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 914691452 OFQWCVFHEZBWPT-YCRPNKLZSA-N 469.513 5.149 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(F)c2)cc1 914773155 ZWTHPJHVCQIWNM-QFIPXVFZSA-N 499.514 5.273 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccco3)n3nnnc3-c3ccccc3)n2)cc1 915099783 AUSXPGXEVCOZNS-VSIOZEBNSA-N 478.537 5.240 30 20 JKED Cc1nc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)sc1SCC#N 916088573 RZRHLTBLUURKRN-UHFFFAOYSA-N 488.704 5.641 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 916205551 KDWZUDPDHIHWSD-QHCPKHFHSA-N 479.577 5.366 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1Cc1ccccn1 916216015 MWPZCGHLHVSLHW-HXUWFJFHSA-N 499.423 5.857 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccco3)C2=O)c1 916217354 LKDZKYUYRJGSJC-JOCHJYFZSA-N 493.585 5.074 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546205 FWCSDJWWQNPDNK-UHFFFAOYSA-N 477.808 5.907 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916559688 BJSFNYJRSOSGGH-UHFFFAOYSA-N 461.326 5.797 30 20 JKED N#C[C@H](C(=O)COc1ccc(F)cc1Br)c1nc(-c2ccc(Cl)cc2)cs1 916652527 BLEZNPJLSSAQNZ-CQSZACIVSA-N 465.731 5.620 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916881734 WRCGODLCLFSCKU-INIZCTEOSA-N 469.353 5.663 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc1ccc(Br)cc1 916900669 RFLMYBWXNUSRBV-WFASDCNBSA-N 481.799 5.248 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Cl)c(I)c1 916906274 GVIXHNMLKKOYSA-HNNXBMFYSA-N 480.733 5.031 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OCC 916915728 IFDUTLDVRZIQMT-LJQANCHMSA-N 450.922 5.642 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1OC 916933002 KQQNLIZEQGDULW-HXUWFJFHSA-N 484.430 5.476 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916936467 LMGLVBCRMBABKJ-FQEVSTJZSA-N 462.864 5.765 30 20 JKED N#C[C@@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)c(Cl)c1 916940980 XYJNDTHGFCNLDS-INIZCTEOSA-N 478.332 5.058 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CC(F)(F)F)cc1 917665910 NNXWURVXXKWEHY-FQEVSTJZSA-N 492.567 5.399 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C#N)cc2)c1 917689259 KWHSPMLXEDVUEF-RUZDIDTESA-N 498.608 5.290 30 20 JKED FC(F)(F)c1ccc2sc(=S)n(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2c1 918731699 BBDNREUJCFPTGK-NXEZZACHSA-N 468.410 6.471 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 919665404 VUYDGGHHMQSFJD-HXUWFJFHSA-N 483.351 5.220 30 20 JKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920108604 ISONJSPSVJXMGX-GOSISDBHSA-N 459.315 5.152 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Br)cc3Cl)n2)cc1 920143229 UVVVDDRDCVCUKY-OAHLLOKOSA-N 472.751 5.353 30 20 JKED N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 920240080 GVQZRIYEZNAZIX-UHFFFAOYSA-N 485.019 5.105 30 20 JKED N#C[C@@H](C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1nc(-c2ccncc2)cs1 920266178 ZOLLUIUCMNMDJE-IBGZPJMESA-N 484.631 6.597 30 20 JKED COc1ccc(N=Cc2c(O)ccc3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl 920942890 MQWHZVQGKJELIT-UHFFFAOYSA-N 466.946 5.759 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)cc(C)c1 920983330 KJWDXDCDZHFGCG-HSZRJFAPSA-N 495.645 5.224 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@H](C)COCC(F)(F)F)C2=O)cc1 921254697 ZNSZWULFSCUZAH-XLIONFOSSA-N 493.551 5.231 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)cc1 1785796820 PJBPMAKPFKJHMX-UHFFFAOYSA-N 468.582 5.253 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)CCC1 1786200111 ZTBAOXGPPGARJG-UHFFFAOYSA-N 480.630 5.102 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1786289135 FYCOIPGHTFTCAH-FQEVSTJZSA-N 485.609 5.252 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1786373501 GRINJARBVNACRY-KRWDZBQOSA-N 463.965 5.227 30 20 JKED CC(C)N1CCC(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)CC1 1786665883 QRYQYIILSMHVDB-UHFFFAOYSA-N 481.757 5.292 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3)cc2)CCC1)c1ccc(O)cc1 1787302688 WZCAPIZTZXQXSZ-JOCHJYFZSA-N 467.569 5.041 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccoc4c3)cc2)CCC1 1788485065 YWMRERJWILOECP-UHFFFAOYSA-N 473.649 5.627 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nc(C)oc3C(F)(F)F)cc2)CCC1 1788617143 XWVBRTKMJJCRFH-SFHVURJKSA-N 461.484 5.518 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)c1 1789877582 ITURRSWGWSQBKI-UHFFFAOYSA-N 482.437 5.173 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ncccc4F)cc3)CCC2)cc(C(F)(F)F)c1 1789911244 NAOMBJVMSWXOPJ-UHFFFAOYSA-N 482.437 5.173 30 20 JKED Cc1nc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1789920200 GXUZBERCBPFEDI-QGZVFWFLSA-N 456.521 5.218 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5occ(-c6cccnc6)c5[nH]4)cc3)CCC2)c1 1789993776 YVCWJGPGUJZSTN-UHFFFAOYSA-N 490.523 5.084 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cc2)CCC1 1790138244 VYJPHFUPWHXQSN-KRWDZBQOSA-N 493.995 5.279 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)c(Cl)c1 1790206719 VIRHONUFPJRJJQ-UHFFFAOYSA-N 454.313 5.520 30 20 JKED COc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790708750 RUNKHPOQUGTOHE-OVCLIPMQSA-N 465.553 5.222 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2)CCC1 1790877494 WIQWLDJKSQWBOU-CMDGGOBGSA-N 475.595 5.478 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5[nH]c(C)cc5c4)cc3)CCC2)c1 1790988441 BBKMVRPKWYEWNR-UHFFFAOYSA-N 478.552 5.418 30 20 JKED COC1(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)CCC1 1792053307 LMHIGXNRXNVNQA-UHFFFAOYSA-N 485.506 5.284 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 1796964961 LZSFPVCBNMYYOJ-KOUNCHBCSA-N 459.933 5.037 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(C)cc(C#N)c3)ccc21 1800765184 BDWNFNIYRANYGP-QEIWAGNOSA-N 490.607 5.560 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3Oc3ccccc3)[C@H]2c2cccnc2)C1 1802415297 FNVHXXTYDUZPDV-AMGIVPHBSA-N 467.569 5.160 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1802496271 HRZSRYIYDZNDSA-FXAWDEMLSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1802500807 PPVFJRBFHJECPF-BWKNWUBXSA-N 491.035 5.595 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1803091051 KWOPIWOOFVVAHM-OZXSUGGESA-N 496.051 5.610 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(C(F)(F)F)c1 1803862263 AGOLRLRRPXQFSR-REPLKXPHSA-N 482.594 5.147 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803988397 FMLPFWLZNYPLLR-IRBVFMDPSA-N 477.571 5.225 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)C)cc3F)CC2)C1 1804866556 HEQDPYWPWCSISP-UHFFFAOYSA-N 458.618 5.450 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)CCC2CCCC2)[C@H]1c1cccnc1 1806205217 ZXECFPUAIHHUSA-RPLLCQBOSA-N 467.730 5.109 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1806681265 IPQQHULQZLGTOW-RCZVLFRGSA-N 468.041 5.366 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1810173162 FTHVKYWNMDXSKE-KIFXHHALSA-N 496.449 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1810173950 JLBKJYJNDWOPIR-LGVFNWMJSA-N 451.998 5.131 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1810271586 HZILWUGYNORHFP-XTEPFMGCSA-N 489.736 5.576 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(F)c2Cl)[C@H]1c1cccnc1 1811111893 HDEFWIDWQSEOIG-XMSQKQJNSA-N 457.977 5.186 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4s3)[C@H]2c2cccnc2)cc1 1811361330 WVXITQLFBAKRPI-LVXARBLLSA-N 498.583 5.135 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1812786176 GFIMUADKAININF-UCXNNHFUSA-N 493.673 5.195 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1813057838 IJAGKDLSQYXEMD-AJTFRIOCSA-N 471.626 5.270 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)[nH]n1 1814441888 TZWRSMMPUJEOTB-HXUWFJFHSA-N 483.016 5.167 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)cc1 1814499205 WCMKSBDHIXYHQT-DEOSSOPVSA-N 485.588 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C(C)C)nn3ccccc23)n[nH]1 1817795203 ZGPYDSKDOQPNHF-CTNGQTDRSA-N 474.609 5.255 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1819359844 HOCRNXQJNVCOGD-FCQSBEGTSA-N 499.640 5.957 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932124 SMDQSAQNUYJPAC-FPOVZHCZSA-N 475.618 5.608 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(Cl)c3)n[nH]2)c(Cl)c1 1820501402 MORXUABEEHUWGF-FQEVSTJZSA-N 468.344 5.208 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)c1 1821273335 IGJNCTOCFSPDBX-FQEVSTJZSA-N 485.441 5.059 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C)oc3C(F)(F)F)[nH]n2)c1 1821322417 MXSMQQFGZGPCDF-LJQANCHMSA-N 485.466 5.130 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)[nH]n1 1821923705 NNHIHYBUSKEIHG-DVECYGJZSA-N 485.588 5.180 30 20 JKED CCn1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c2ccccc21 1823211339 CWQSCVZXGLCQSW-KOSHJBKYSA-N 495.587 5.026 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)[nH]c12 1823214599 GSLPCRBUFJOXTJ-KOSHJBKYSA-N 480.572 5.446 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc5ccoc5c4)sc3C2)c1 1824069650 HSKQPRXHBVXVFK-YWZLYKJASA-N 470.554 5.056 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1 1824537829 GBUUDKKRJRDIIO-IZZNHLLZSA-N 481.706 5.282 30 20 JKED O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)C(F)(F)C(F)F)CC1 1824841627 OWWVRSZFCOOITK-DVBCCOPCSA-N 494.451 5.239 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CC2)CC1 1824932237 KUJCESPIWLTQQQ-LOSJGSFVSA-N 452.614 5.245 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1824956480 LGNGEBAHWOTUGZ-VWLOTQADSA-N 465.663 5.143 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1)C(F)(F)F 1824989373 MOIICLBKTDRWGK-NRFANRHFSA-N 486.962 5.237 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)CC1 1825689974 VSLAGPPLRGROSZ-FQEVSTJZSA-N 465.560 5.326 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccsc2)CC1)c1ccccc1 1827163069 AAUODTSFIPPNPL-UIOOFZCWSA-N 462.659 5.108 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccnn3C)c(Cl)s2)CC1 1827362483 BPTVLSXHVYSNAO-FXAWDEMLSA-N 489.085 5.248 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533801 PURUGUWTEGICOM-QHCPKHFHSA-N 496.449 5.385 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)nc3ccccn23)CC1)c1ccccc1 1828067332 AAHUFMFLOSHCOO-KAYWLYCHSA-N 496.655 5.073 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828828440 KJTKHYZEMQSPPO-AOYPEHQESA-N 462.634 5.207 30 20 JKED COc1ccccc1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828904171 RMDGTGOPNJWJBF-SANMLTNESA-N 496.768 5.299 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(Cl)c2)CC1)c1ccccc1 1829031348 ZPGXRZBNPDWAEX-JWQCQUIFSA-N 478.036 5.166 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nc(CC)c2)CC1)c1ccccc1 1829032819 RBMOSGNJCWEKJD-VMPREFPWSA-N 485.672 5.383 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2F)CC1 1829066677 RACICIPMGRFZLY-VWLOTQADSA-N 472.645 5.379 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829573366 PLLJLSUSTJSTAX-QPPBQGQZSA-N 473.617 5.669 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829869803 ZUOQVWJFQYTUEI-HYBUGGRVSA-N 490.673 5.368 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 1829954918 UDJCQUVDNUFESD-MHZLTWQESA-N 451.570 5.259 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4sccc4c3O)CC2)c1 1829956589 LLLZUXMSOHSBKH-QHCPKHFHSA-N 473.598 5.026 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1830011506 RVVJXHALMGAHKE-DFBJGRDBSA-N 464.009 5.249 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)c1 1830735501 KZUSKWXWOYXJPX-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564748 HNCGUGYXXICCIP-NRFANRHFSA-N 495.447 5.045 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1832633255 DZLWGXQBFZZNSV-IQGLISFBSA-N 481.999 5.653 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3F)CC2)c1 1832635375 BZZASQARIDXQPL-ZBLYBZFDSA-N 475.608 5.319 30 20 JKED COc1cc(F)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635609 LHWQFDBOLDJTJR-DFBJGRDBSA-N 477.580 5.008 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832708906 XYPNCCACFXVANG-JOCHJYFZSA-N 466.519 5.271 30 20 JKED C=C(C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1)C(F)(F)F 1838757247 MKLZFGCNQYXFRT-UHFFFAOYSA-N 493.353 5.033 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CC2(CCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)C1 1846982032 YRBZOEAZOUFJAK-HDJSIYSDSA-N 480.424 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1847264359 IWTMWSUOFCUJDW-VJBMBRPKSA-N 468.041 5.435 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1C 10756656 MVCHKCDWMYKWAW-UHFFFAOYSA-O 499.031 5.844 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(CC)cc2)cc1 11078004 LRVMWAAZXANWNU-UHFFFAOYSA-O 458.434 6.457 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc2scc(-c3cccs3)c2c1=O 11380708 DMCCEBGCQRDAKI-UHFFFAOYSA-N 498.611 5.320 30 20 JKED COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C#N)c2)cc1 15311783 MJCMSKLCPAOPHY-UHFFFAOYSA-N 497.576 5.215 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1cccc(C)c1 16862970 XYMXDCNWGSNYMV-INIZCTEOSA-N 456.999 5.529 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(F)cc1 21338191 JZYZKASIVZRFCI-ZDUSSCGKSA-N 466.460 5.288 30 20 JKED C[C@](C#N)(NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CCC2)C1CC1 21458692 ZHGMJWCORBXQNV-JJBJOHMDSA-N 465.553 5.077 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1c[nH]c2ccccc12 21459005 STUMNTPDLBZVNW-GOSISDBHSA-N 478.581 5.715 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1cccc(C(F)(F)F)c1 22693572 LVKOGSPUYYMSNH-UHFFFAOYSA-O 465.467 5.884 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2CC)cc1 22730156 JIEOWENLYMOLBC-UHFFFAOYSA-O 497.640 6.778 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 28793566 BLONLZCLNHBBQQ-UHFFFAOYSA-O 492.665 5.716 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nnc1-c1cccs1 32175355 JYYUNFBKPKDHBY-UHFFFAOYSA-N 468.652 5.553 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 45599331 RQFFJFWALDMYKI-CQSZACIVSA-N 496.637 5.186 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 104399969 DBCXDNQHJNVQLI-JXAWBTAJSA-N 465.534 5.450 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(OC)cc1 255933400 LIOHNXVLTGYPSX-CYBMUJFWSA-N 463.390 5.566 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccccc1 303391199 YDYPJVWVVOVYJH-NDEPHWFRSA-N 471.626 5.560 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)cc2)cc1 483467224 HSMGYSGHZRVOOL-UHFFFAOYSA-N 473.583 5.736 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)cc1 490653322 WSHJELTZNLPKHS-JOCHJYFZSA-N 465.347 5.124 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cc1C 498429741 KOYXXJSKHQSWEH-UHFFFAOYSA-N 485.519 5.626 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(C(C)C)n(-c4ccccc4Cl)n3)n2)cc1 499192445 OBGNRKLERWTTGH-QGZVFWFLSA-N 477.977 5.666 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3sc(-c4ccccc4)cc3C#N)oc3ccccc23)s1 499780309 KOQWVGOUKBSHNF-UHFFFAOYSA-N 488.619 6.738 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)c2)cc1 501459501 ARYUFNPYIPJQTL-HSZRJFAPSA-N 487.987 5.476 30 20 JKED Cn1cnnc1Sc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 503739849 UCASVICPROCFHB-UHFFFAOYSA-N 492.029 6.036 30 20 JKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc1OC 505499699 FAHYKMYOGUWTMX-JZJYNLBNSA-N 455.558 5.553 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 505620152 GBCIXTKOEOJALC-SFHVURJKSA-N 475.570 5.367 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cs2)cc1OC 507877161 ZDPZLZQXQHVFMC-UHFFFAOYSA-N 471.538 5.672 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 509619317 QJWACFIQJCWFMZ-UHFFFAOYSA-N 469.950 5.052 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)C2)c1 509680983 CMQSZGSRTKHZRQ-OAQYLSRUSA-N 454.530 5.542 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)C4CCCCC4)c3)n2)cc1 516270006 JTOJCBYBRXYOLC-QFIPXVFZSA-N 459.571 5.828 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 516449311 IIMWZAZKVWBGKL-UHFFFAOYSA-N 456.329 5.334 30 20 JKED COCCc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cc1 518166782 WUFQWLWZNKTGNX-UHFFFAOYSA-N 471.557 5.615 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 518651279 PBMHWOTUWOFORO-UHFFFAOYSA-N 465.351 5.382 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(-c2nc(C)no2)ccc1C 522872566 OWHQYOBQWZJYLT-UHFFFAOYSA-N 459.319 5.475 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 524392341 CIGUFECSBCJOPA-GDLZYMKVSA-N 489.575 5.946 30 20 JKED COc1ccc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1OCc1ccc2ccccc2n1 524414060 ICBDRRCYTLWVJR-UHFFFAOYSA-N 496.592 5.941 30 20 JKED Cc1cc(COc2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2Br)no1 524572500 BXGZZDJKMANJNE-QGZVFWFLSA-N 495.160 5.626 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 569382124 OSLNLWGLLAATMX-UHFFFAOYSA-N 450.564 5.541 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 588349106 VTEANDNEDATRPH-HXUWFJFHSA-N 459.914 5.997 30 20 JKED C=C(C)COc1cccc(NS(=O)(=O)c2c(Br)cc(F)cc2Br)c1 589439182 VKRUBSYCYAYVAI-UHFFFAOYSA-N 479.165 5.106 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)c1C 603846247 HSRKSLBIUJUYQY-KRWDZBQOSA-N 498.486 5.476 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1cccs1)c1ccc(Br)cc1 603975740 OKNLLCKJMVJOBP-UHFFFAOYSA-N 470.392 5.266 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1nc(C(=O)OCC)cs1 609020685 OKFXEKMAEZGQME-UHFFFAOYSA-N 492.532 5.372 30 20 JKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(Br)c1 609062746 YGJOLSYLZSDYSP-UHFFFAOYSA-N 471.738 5.814 30 20 JKED COc1ccccc1-c1nc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cs1 609174703 UVYIINNVJVXNBK-QFIPXVFZSA-N 455.539 5.392 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)O[C@@H](C)C2 609326824 IMBUAZNILQBVLN-YROCYRMSSA-N 455.514 5.210 30 20 JKED Cc1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1CCc1cccs1 609371801 YNDWANLTHOPLCO-OAHLLOKOSA-N 457.650 5.016 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 609434634 DTLMOSKEJFICHF-GOEBONIOSA-N 471.051 7.049 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)s2)cc1OC 613314782 ZTYHTPOJSSHZDX-GOSISDBHSA-N 475.595 6.058 30 20 JKED O=C(NCc1ccc(OCc2cccc(F)c2)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618551874 OCGPIBYOFHDRTC-IAGOWNOFSA-N 478.408 5.677 30 20 JKED O=C(c1cccc(C(F)(F)F)c1O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517396 HWIHNQSLIYESIA-HNNXBMFYSA-N 487.318 5.662 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 726396679 FZONALLGPCBFPT-FOIQADDNSA-N 459.999 5.034 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 726397745 IUKNVIWKTJZTRW-OXJNMPFZSA-N 493.551 5.399 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(C(C)C)cc1 726399267 NAWHDZLQZIKABJ-HOYKHHGWSA-N 495.645 5.398 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(CC[C@@H](C)OC)C2=O)cc1Cl 726401980 VDCPAXNYRZSZPG-IERDGZPVSA-N 490.025 5.042 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(CCc2ccc(C)o2)C1=O 726418711 ANWXWJKYJREBHD-NSJWOJMJSA-N 497.642 5.291 30 20 JKED COc1ccc(C(=O)/C=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1NC(C)=O 726428009 CRMJWITUUBLOHX-LUAWRHEFSA-N 476.485 5.046 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2cccc(O)c2)cc1Cl 726570760 KWZBYHBYHQRCOK-UHFFFAOYSA-O 462.982 5.407 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)n2ccc(=[N+](C)C)cc2)c1 726572834 HOSHRGKMBCSIKF-UHFFFAOYSA-O 456.635 5.023 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1=S 726591796 NZRDEIKNLANSIQ-LJQANCHMSA-N 494.024 5.203 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1=S 727430764 DZEWYJZJBSSPGH-JOCHJYFZSA-N 498.027 5.465 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 727594385 FUSGAAILWOQDKP-UHFFFAOYSA-N 454.271 5.126 30 20 JKED Cc1nc(-c2cccc(NC(=O)CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2)cs1 728200428 DSVYYANYLXJMAW-UHFFFAOYSA-N 472.545 5.759 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccc(Cl)cc2)cc1 728422258 GDHNFKGPBFCMEO-HSZRJFAPSA-N 499.983 5.244 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 728667865 DJFCLDOVGLLOSJ-LJQANCHMSA-N 485.540 5.017 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)cc2F)ccc1Cl 729407500 UUDQGOZSAAXOPU-UHFFFAOYSA-N 480.895 5.391 30 20 JKED CCOc1ccc(-n2c(-c3cccnc3)nn(CN(CCC#N)CC(C)(C)C)c2=S)cc1 729467962 KCCNQNJTYNJRLH-UHFFFAOYSA-N 450.612 5.083 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ncccc1C 729634122 IJDZGJHARQEYSK-HSZRJFAPSA-N 476.577 5.252 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccc(F)cc2)c1)c1ccccc1Cl 730549067 IRYQDWGNQBCNIF-UHFFFAOYSA-N 451.914 5.161 30 20 JKED N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 730684760 DAFNXGABNHMHLL-QLFBSQMISA-N 458.370 5.562 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730943259 ARSYBTINXBKWDL-OFVILXPXSA-N 486.641 6.037 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c[nH]cc1-c1ccc(Cl)s1 731074854 TXFWXHDGEBPVOE-CYBMUJFWSA-N 459.980 5.444 30 20 JKED COc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2)ccc1C 731305123 HITPFRNAUYNAIN-DEOSSOPVSA-N 489.597 5.178 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 743525011 OIGSPUMVINJDBR-JTSKRJEESA-N 462.550 5.251 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 745990815 JKHRZBKSPLOTHE-MOPGFXCFSA-N 478.401 5.133 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(C)ccc1C 746695126 CHWGXYSGSZVXOT-QFIPXVFZSA-N 453.608 5.080 30 20 JKED Cc1cc(/C=C/C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)n1C1CCCCC1 749147447 MQTXDJDLYUTNGL-VAWYXSNFSA-N 458.606 5.372 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSC(=S)N2CCC(C)CC2)cc1 751142629 PFDHLNFWWJULJZ-UHFFFAOYSA-N 455.605 5.048 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 837300924 LWOBGHWBIIMXES-QVKFZJNVSA-N 466.513 5.081 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@@H](C)c3ccccn3)C2=O)c1 837420012 NHUMMOOHRRXTBL-OFVILXPXSA-N 486.641 6.037 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 837743532 CSVJZHGQHSCYBI-AOMKIAJQSA-N 483.540 5.539 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@@H](C)c1ccccn1 838226932 PPWBYEGECXCHQT-NBGIEHNGSA-N 486.641 5.982 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccc1 838519845 OXVTXUCOHFFPEZ-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 839414415 KUGYPQNDXURMAT-UHFFFAOYSA-N 499.936 5.248 30 20 JKED CC(C)N1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 849506631 OGTFXPVGYHYGCF-PKTZIBPZSA-N 477.996 5.190 30 20 JKED C=CCC[C@H](NC(=O)[C@@H]1CCN(C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 849568728 PVAOXHLPROTOFA-ZLNRFVROSA-N 462.560 5.077 30 20 JKED C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)ccc1N1CCC(O)CC1 857462590 NQNWKRUFYKQVSP-LBPRGKRZSA-N 478.408 5.315 30 20 JKED N#C[C@@H](C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 915102353 XWOZKFKCHPDWCP-FQEVSTJZSA-N 469.953 5.808 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2ccco2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102549 WZXNUIIBQLMLTF-ZDUSSCGKSA-N 459.314 5.569 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCc3ccc(C)o3)C2=O)cc1 915110687 ADJCSZZYHSJHJB-HSZRJFAPSA-N 493.560 5.133 30 20 JKED CCCOc1c(Br)cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1OC 915849053 RDKOQEUROLOLRT-LDADJPATSA-N 475.408 5.755 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNCc2cccc3cccnc23)cc1OC 915959262 KRHSQSIRPLNDFP-UHFFFAOYSA-N 477.568 5.288 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1 916051020 JRRAWRNBKXTGGE-QHCPKHFHSA-N 457.331 5.543 30 20 JKED CCCC1C/C(=C/c2ccc(OCC#N)c(OC)c2)C(=O)/C(=C\c2ccc(OCC#N)c(OC)c2)C1 916137894 MBIHRRJNRMGGJE-KHFFFTKUSA-N 486.568 5.755 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCc2ccccn2)c1 916206376 OAWODKAINOJDIZ-QHCPKHFHSA-N 493.032 5.555 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1C 916207909 ONMYOBBOJRTEBS-OAQYLSRUSA-N 469.513 5.335 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1OC(F)F 916276818 JXSXXKSXRKEQEK-UHFFFAOYSA-N 459.305 5.423 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1c[nH]c2ccc(Br)cc12 916278819 XAPHHHRIJNQUGW-UHFFFAOYSA-N 462.376 5.437 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1Oc1ccccc1 916906205 CNVOKIQLGUUDPD-OAQYLSRUSA-N 451.482 5.414 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCCc1ccc(Br)cc1 916910371 XCUHETHKVYDCAH-OAQYLSRUSA-N 455.396 5.634 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 916925370 JKPATZUXYADKKU-NRFANRHFSA-N 466.497 5.072 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1Cl 916939178 PJEJDPFRCDWJHG-ZDUSSCGKSA-N 467.959 5.648 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)c1ccccc1F 916939732 RUTLCXCNPNZQSX-KRWDZBQOSA-N 467.859 5.140 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2n1C(F)F 917039830 DVYPQYZGCHAVQP-CYBMUJFWSA-N 459.865 5.103 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042712 FZCKQYSVOJQJHZ-MEDUHNTESA-N 463.506 5.631 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccc(C)n3)C2=O)c1 917677500 GKWRCHICKQZBSM-HSZRJFAPSA-N 476.577 5.306 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 917806231 XFKPCGXYNVYNCT-QINSGFPZSA-N 479.580 5.222 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918671354 NNPGTIZJKOYXMD-IKGCNYHESA-N 487.284 6.327 30 20 JKED O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918735258 GMDILXHTMYNPHN-OCAPTIKFSA-N 455.233 5.089 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3cc(C)no3)n2)cc1 920140902 CTMQPFDILPFDCV-FQEVSTJZSA-N 461.568 5.898 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc(-c2c(F)cccc2F)cs1 920804257 NCXBDVHAMBYKLA-CQSZACIVSA-N 471.941 6.284 30 20 JKED Cc1ccccc1-n1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2c1CCC2 920875238 SQQIVEWPVQFIET-JOCHJYFZSA-N 476.536 5.423 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CCO2)C1 1779243906 FIQFWSZLEFWZGQ-RBTNQOKQSA-N 498.067 5.064 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CCC1 1785786384 PQSIHLFOTQIXKW-UHFFFAOYSA-N 459.546 5.072 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1786361140 SKHBHHIAWRYUIB-IBGZPJMESA-N 481.552 5.214 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1786361950 CNZHRTSVJNAUCP-IBGZPJMESA-N 466.537 5.372 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(OC)ccc4o3)CCC2)cc1 1786367005 OXOFMIRRIFJLPZ-UHFFFAOYSA-N 462.546 5.172 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)CCC2)cc1 1786679222 QTHPOBWNEPQLFS-UHFFFAOYSA-N 488.535 5.020 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3coc(C(C)C)n3)cc2)CCC1 1787025186 RUKIBHBXFHCJRB-HXUWFJFHSA-N 496.608 5.015 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)CCN3CCCCC3)cc2)CCC1 1787787594 OGTDVIYKMCDGGN-UHFFFAOYSA-N 467.730 5.048 30 20 JKED Cc1cccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)c1 1788029364 MAYVAURJZVWWLW-UHFFFAOYSA-N 495.627 5.087 30 20 JKED Cc1cc(C)nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)c1 1788348769 VTLAUGCHSPSRMU-UHFFFAOYSA-N 493.489 5.045 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3Cl)cc2)CCC1 1788480641 LFRSXJCXOPWGSD-LJQANCHMSA-N 462.981 5.684 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)[nH]4)cc3)CCC2)ccc1F 1789674205 BBHLAELQXWJORE-UHFFFAOYSA-N 484.453 5.035 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)nc1C 1790082000 YTRJVKCXQPJFSU-UHFFFAOYSA-N 458.949 5.285 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cnc4Cl)CCC3)cc2)c(Cl)c1 1790767888 NPJCPTUFFKSXCO-UHFFFAOYSA-N 483.330 5.461 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)C[C@@H]5C[C@@H]6CC[C@H]5C6)cc4)CCC3)c2c1 1791324929 DMNJJAYAQSULBQ-HOJAQTOUSA-N 467.573 5.009 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1)c1ccc(O)cc1 1791642040 WAWRUKMJBJMTMR-NRFANRHFSA-N 483.568 5.203 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1 1797447819 ATECLPGSXUOZCK-ACDBMABISA-N 470.686 5.343 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccc(O)cc1 1797878179 JEDFHIOIWRABNK-NSYQFPMCSA-N 476.661 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(Cl)cn3)cc1)C2 1798333704 NQABZHFDQTURER-JTOYRKQZSA-N 480.008 5.548 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C2 1800508595 AVLNZLGHKOSNPB-WKCHPHFGSA-N 475.105 5.042 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Br)c(C#N)c2)CC1 1800634322 BTEJIJCNEWYMSZ-UXUYGWKFSA-N 486.454 5.035 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)cc2)C3)c(Cl)c1 1800691272 GPSDUAQUVDDTAA-BKFWDETESA-N 469.972 5.444 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Br)cc3s1)C2 1801695568 VVFNALQPLZCQLT-MUJYYYPQSA-N 483.378 5.127 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1802503131 QPYBJOADCFDALR-ZEQKJWHPSA-N 493.623 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1802748006 OXFFRRJAUCAGFJ-DENIHFKCSA-N 489.538 5.292 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1F 1803503307 TUFHSGHWTXOWSM-LVWCUCSXSA-N 498.602 5.109 30 20 JKED Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc([C@H](C)C#N)c3)sc2c1 1803684855 QFVOOSVKPOWECP-OCYFJXFZSA-N 457.599 5.402 30 20 JKED Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)o1 1803848678 FZHFSXIWYTWHHE-BTTYYORXSA-N 492.391 5.330 30 20 JKED C[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1)c1ccc(Cl)cc1 1805194951 LSWNACGODRTXCS-SFTDATJTSA-N 478.036 5.616 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)c(F)cc3F)CC2)C1 1805460442 HRFQUTARZQXCJK-UHFFFAOYSA-N 495.408 5.341 30 20 JKED CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1)c1ccccc1 1806274391 JXIMYQAJSNMHHL-UMFSSWHCSA-N 487.003 5.120 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc5ccccc5c4)C3)CC2)c(Cl)c1 1809123713 LWHGBRUHRXSSEC-UHFFFAOYSA-N 486.015 5.452 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c[nH]1 1810274558 KNMNOHFNUGSCKN-BKMJKUGQSA-N 492.740 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)[C@@H]1c1cccnc1 1810490223 SGHYTEUQUCBXCR-LAUBAEHRSA-N 475.420 5.095 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810719302 RDOWSJIUDYLORO-WNJJXGMVSA-N 495.623 5.962 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811272036 IJDYQYKJSYQBRM-ILBGXUMGSA-N 492.570 5.020 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[C@H]1c1cccnc1 1811298111 MTVJCBNXNQNDJE-MUXSNRJPSA-N 493.611 5.157 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1811794862 DSDDKBWQGCFWOV-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)[C@H]1c1cccnc1 1812429707 WDRUIMSWXVMSSF-CMYDWJSCSA-N 490.692 5.019 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)[C@@H]1c1cccnc1 1812584980 YFYQPAKSUXVPIK-ILZVUUHMSA-N 485.628 5.015 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812590777 OJEQKMPNFUHBHC-WPSZSDGUSA-N 474.432 5.239 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c1 1813759887 PVIXWAHVIMERKZ-VGTADKHUSA-N 478.596 5.219 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818789367 NRAKWXTWVOKGKL-IBGZPJMESA-N 481.698 5.310 30 20 JKED CC1=CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CC1 1818807460 BQEIOMHEXGLWSU-LAUBAEHRSA-N 485.510 5.352 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819028871 HWZZABCKWIWZBH-KRWDZBQOSA-N 461.572 5.177 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)[nH]n1 1819310842 BYPOPJVBAVKUOO-GCJKJVERSA-N 484.000 5.096 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1 1819488218 TWSMIDOECMGCJF-GGJDQLKOSA-N 476.964 5.112 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2SCC)[nH]n1 1819552063 DHFJRYHDFHHULC-LJQANCHMSA-N 455.628 5.215 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)[nH]n1 1819555446 HLIYBGLAXSQYJQ-KRWDZBQOSA-N 463.504 5.122 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CCCC3)[nH]n2)c1 1820309574 AMUFCPNTLJTHQZ-JOCHJYFZSA-N 490.995 5.081 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1 1820435338 VEGOVCHXRQTENY-OAHLLOKOSA-N 457.308 5.234 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC)[nH]n1 1820946600 OQHYNKBVAHUJRE-FPOVZHCZSA-N 491.677 5.456 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)[nH]n1 1820977655 TUJSIYFYSLKMNR-KBXCAEBGSA-N 480.396 5.132 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)n[nH]1 1821007356 RKKKCKOVFSWQTI-RCZVLFRGSA-N 464.516 5.490 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)[nH]n2)cc1 1821180456 UZHGLIAIVQQSMN-QFIPXVFZSA-N 496.596 5.219 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CC=CCC1 1821242682 MZIOYZNVAWQUQO-HYBUGGRVSA-N 496.409 5.096 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821363977 JJESLBOHRJNITC-MZNJEOGPSA-N 494.542 5.252 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1 1821789762 HWHFYSVYRFEUBH-MGPUTAFESA-N 494.423 5.142 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CCC3)n[nH]2)c1 1822318164 FRWJAKKLINTWJT-CJFMBICVSA-N 481.600 5.465 30 20 JKED CC(C)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)CCC1 1823066506 DGEDJICGWUSCJX-FQEVSTJZSA-N 453.974 5.067 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)[nH]n2)cc1C#N 1823292411 JINNOBWCUXGFRC-YYVWFHOOSA-N 475.593 5.121 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823677464 QGZXQPSKMYIURZ-SANMLTNESA-N 474.004 5.106 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c(Cl)c1 1823980619 PKQJBHWXPNDULZ-RUZDIDTESA-N 499.989 5.356 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824392112 LHPZXKMVRSFKPE-KBMIEXCESA-N 496.076 5.626 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1825206902 ZAOUIQDFANLGDU-DQACCSDVSA-N 484.687 5.109 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1826317677 XQSYPKIRDCGXKY-SVBPBHIXSA-N 457.618 5.180 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccoc3c2)CC1)c1ccccc1 1827499172 MGSRQLDQAAVNKQ-XNMGPUDCSA-N 483.612 5.258 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828657193 ZJJWECNRHUCERS-VWLOTQADSA-N 495.461 5.639 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)cc1 1828669102 VFGSJNVGUMGDHS-RUZDIDTESA-N 486.641 5.034 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc3c2CCCO3)CC1 1828824005 DGZSSCKWBZYQFP-REWPJTCUSA-N 456.652 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829068893 VXHGIDIZLHMCJA-HSZRJFAPSA-N 456.030 5.437 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)cc1 1829181342 FYJXGMGHTYWONF-OAQYLSRUSA-N 485.415 5.002 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1829695422 PUJPVLMEVPTCBT-VWLOTQADSA-N 457.618 5.624 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3F)CC2)c1Cl 1829889346 ZFWAXHRYRGZNMH-NRFANRHFSA-N 471.935 5.037 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)c1 1829957428 NDHHNYZDEPMAER-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1830155278 WUMNIUUPXKVTKU-RUZDIDTESA-N 483.056 5.147 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536336 GNUQBMMRGIEVOH-OXQOHEQNSA-N 454.508 5.290 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830600212 YTHPORPGLWLBBC-SANMLTNESA-N 491.607 5.422 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1830718138 BGFGHOKWQFFNIL-RUZDIDTESA-N 492.982 5.379 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)c(Cl)c1 1830770652 FSPLERBGAVFUMW-RUZDIDTESA-N 480.008 5.076 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc(Br)c2C)CC1 1830777317 FLNOYPFGWIALAZ-FQEVSTJZSA-N 497.474 5.049 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831061439 FSZLTXTUHNRFEF-JOCHJYFZSA-N 481.618 5.236 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1831373055 MQEHAINPOKYTCJ-AVRWGWEMSA-N 468.041 5.642 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1831444517 MVQSDMCHLXRZLN-HXUWFJFHSA-N 472.498 5.079 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C(F)(F)F 1831453424 VGQLEWLDHNEWLC-GOSISDBHSA-N 462.434 5.057 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1)C(F)(F)F 1831453566 FFNDYCFPXMSCHK-NRFANRHFSA-N 479.930 5.240 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c(Cl)c1 1831483522 ZPGFSPYVOZEZPG-RSPLEMODSA-N 468.041 5.271 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1832043703 VWBBLRQTZZTOIO-XMMPIXPASA-N 496.076 5.410 30 20 JKED C[C@H](Cc1ccco1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832280111 PWNHIQFFZCADAE-RCZVLFRGSA-N 470.730 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)c1 1832632998 AXUUUASGUCQCKX-FPYVQNFMSA-N 461.650 5.683 30 20 JKED Cc1cc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1832635805 SPNFOTVCAAGJHT-SIBVEZHUSA-N 479.571 5.447 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)CC1 1832666265 YTBUCEXTCNOQET-NRFANRHFSA-N 461.046 5.574 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)CC1 1838222397 UZFRVXJCYOOLFB-JOCHJYFZSA-N 484.637 5.421 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1844253888 DDQNLKGESKAZKS-UHFFFAOYSA-N 485.915 5.515 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)C1 1845537790 MYLSFBSAENAIAS-SFHVURJKSA-N 465.421 5.366 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 8649351 FJERGGTXJXVYGE-NSYGIPOTSA-N 480.659 5.155 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc2cc(Cl)ccc2c1=O 9085423 LUJLQJZBWABFBP-UHFFFAOYSA-N 461.974 5.634 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1)C(=O)Nc1ccccc1C#N 10410068 WBZDEIOGYGDAJG-GOSISDBHSA-N 485.613 5.875 30 20 JKED O=C(/C(=C(/S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 10828372 UZKHZOBOMPMCKF-UHFFFAOYSA-O 486.548 5.663 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)cc1F 11083200 GDQHZJZRWUGEMD-UHFFFAOYSA-O 495.643 6.552 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(F)cc(F)c2)nnc1-c1ccc(Cl)cc1Cl 16305456 WVWCCNCUQBFIAG-UHFFFAOYSA-N 455.317 5.447 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1Cl 16669656 GZRQAEMTYREGRA-UHFFFAOYSA-N 491.020 5.298 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(Br)cc1 16832696 ZTXXEURGITURSA-GFCCVEGCSA-N 479.350 5.291 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccccc2Cl)cc1 22730438 RVCJYXWTIQJYNV-UHFFFAOYSA-O 454.959 5.457 30 20 JKED C[C@@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 23270837 HQLAHVQZUFNXSB-CYBMUJFWSA-N 488.038 5.358 30 20 JKED Cc1sc2nc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n(C3CCCC3)c(=O)c2c1C 23565545 JTQQHJWSXXKHQK-HNNXBMFYSA-N 452.605 5.181 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)n1 24284602 SHUSJCVFEAKEHF-KOLCDFICSA-N 464.538 5.557 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 26982426 CEJGUKVPMDTXSS-GOSISDBHSA-N 470.602 5.497 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccn2)ccc1Cl 28781815 WZQBYVZYCUGPPA-MRXNPFEDSA-N 490.412 5.261 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(CC)cc3)cs2)nnc1-c1ccco1 45766735 RQLVIMBBUQRCPK-UHFFFAOYSA-N 451.577 5.141 30 20 JKED Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1NS(=O)(=O)c1ccccc1 97546006 FPUVPUNYWCQBRQ-UHFFFAOYSA-N 484.581 5.327 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1nc(C)c(SCC#N)s1 108160500 BEVKMHUBNUIGOG-UHFFFAOYSA-N 480.999 5.734 30 20 JKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 110137927 INPKILYUEFHBAX-UHFFFAOYSA-N 481.990 5.407 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(SC)nc2)c1 110512922 APFUVXWNJINCTA-UHFFFAOYSA-N 474.007 5.091 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1 116928149 XFVRRQFBUXKEBZ-HXUWFJFHSA-N 450.926 5.040 30 20 JKED Cc1cc(C)cc(N(C(=O)CSCC#N)c2nc(-c3ccc(Br)cc3)cs2)c1 195559319 XPOKMVUDBBIMJS-UHFFFAOYSA-N 472.433 6.111 30 20 JKED Cc1ccccc1OCc1nnc(SCCC(=O)Nc2ccccc2C#N)n1-c1ccccc1 248015482 KPBDGYXXMRFVFP-UHFFFAOYSA-N 469.570 5.147 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nnc1-c1ccncc1 255929605 IQHAEBBQZPOXFH-UHFFFAOYSA-N 476.631 5.522 30 20 JKED C=CCn1c(S[C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1-c1cccnc1 302954586 NLQBILVHVKNQMG-GOSISDBHSA-N 487.032 6.431 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2Cl)c1 303150997 FYXWIMIPUVCAKH-UHFFFAOYSA-N 459.933 5.165 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1[N+](=O)[O-])c1ccccn1 303231012 XUKJLZWLOYUKFB-IBGZPJMESA-N 493.523 5.866 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sccc2S(=O)(=O)C(F)F)cc1Cl 303319824 TXPSIQNZDDIZGS-HNNXBMFYSA-N 466.918 5.306 30 20 JKED C[C@H](NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)c1ccc(C#N)cc1 410261723 RYTOYMGYJKVJGM-IBGZPJMESA-N 473.598 5.169 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 487587244 DIARVPDKBZRXGA-UHFFFAOYSA-N 461.513 5.051 30 20 JKED C=CCc1cc(CNC(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)cc(OC)c1OC 497827010 BGCCGXUKMJHPHA-IBGZPJMESA-N 450.604 5.967 30 20 JKED Cc1nc(SCC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(C#N)c(C)c1C 499551081 XIESGYQIXWVOHR-QHCPKHFHSA-N 473.577 5.017 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 499751222 RFOQNXDQFDORSA-UHFFFAOYSA-N 478.533 6.431 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 503161142 KXXLLPQEJPIDMZ-QFIPXVFZSA-N 490.357 5.356 30 20 JKED Cc1nc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)sc1SCC#N 504836290 CQRXCVFJDPEJFO-UHFFFAOYSA-N 461.366 5.269 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1 508257161 GGBCHMYHGYKGFE-XMMPIXPASA-N 471.492 5.143 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)cc2F)c1 509942505 JJAPRCDMLXLPCM-QHCPKHFHSA-N 458.518 5.644 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(F)cc1 514962270 TWBNTKSUHATNBD-GOSISDBHSA-N 476.581 5.192 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 515773056 VIBNXVVQTNXJCW-UHFFFAOYSA-N 456.468 5.701 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-])c1ccccn1 516714114 QCPBFFKTTVFYAY-JXFKEZNVSA-N 494.536 5.648 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 518120236 QLTMXOPQGKQGNR-HNNXBMFYSA-N 490.972 5.772 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 518869851 JWTYVJCKVRRTDA-LJQANCHMSA-N 487.556 6.742 30 20 JKED C=CCN(C(=O)Nc1ccccc1CN(C)C1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 521809226 YPNKGEXTYYABOH-NRFANRHFSA-N 473.625 5.208 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 523236192 FAPWNDJZVDRDQH-DEOSSOPVSA-N 468.557 5.512 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 523574693 ZZFMZUBJIXHJTQ-UHFFFAOYSA-N 494.580 5.204 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)cc1 523841549 JTCMIRYLEQZSKJ-ICTDUYRTSA-N 496.611 5.559 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)cc1Cl 524707531 VQPDGZXOFFTBCL-NRFANRHFSA-N 470.916 5.019 30 20 JKED Cc1ccc(NC(=O)[C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Br)c1 557150765 BOSWVAXULDAJJV-MRXNPFEDSA-N 450.336 5.861 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1 591501668 SZAVMTKPBWJMMC-GOSISDBHSA-N 478.593 5.955 30 20 JKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593021640 MJRUFILXOOOAOE-GHMZBOCLSA-N 492.407 6.273 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccccc1SC[C@H](C)C#N 594689999 LPKCZDBEHVPPJP-CQSZACIVSA-N 461.381 5.311 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(COCC(F)(F)F)cc3)cn2)cc1 603690344 LIHOGXKNAWSPGS-UHFFFAOYSA-N 456.424 5.146 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccnc3SCc3ccc(F)cc3)cn2)cc1 603764987 QTKVTVLWIDTZIB-UHFFFAOYSA-N 456.502 5.824 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 603969764 IVELLVMCDJSLCV-UHFFFAOYSA-N 477.998 6.815 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)c2)c1 603995460 DMLLRWILRPOEFN-UHFFFAOYSA-N 450.498 5.427 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1Cl 604207321 BXAXBYOVLKIKCL-KNQAVFIVSA-N 498.970 5.481 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1[N+](=O)[O-])c1ccccn1 604335869 AJKSJLXEFIFPHF-KRWDZBQOSA-N 480.484 5.474 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(C(F)(F)F)c1 604419897 MSDPFCIQLUWWOY-OAHLLOKOSA-N 453.420 5.185 30 20 JKED CCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 608801585 SZRUNFUHOSWXLN-CSKARUKUSA-N 493.658 5.950 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(Cc2ccccc2)n1 609060745 CZIZUCZNZHLUEZ-UHFFFAOYSA-N 453.567 5.674 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)cc2)c1 609065062 ZZKJQNWOTMVZDZ-UHFFFAOYSA-N 473.617 5.721 30 20 JKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 609080123 QEMBKRCXZMRUSD-UHFFFAOYSA-N 477.008 5.695 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 609080659 LHXUFJLPSBRLJF-QFIPXVFZSA-N 456.590 5.602 30 20 JKED N#Cc1cccc(OC2CCN(CC(=O)N3N=C(c4cc5ccccc5o4)C[C@H]3c3ccco3)CC2)c1 609195153 ZNUTVPPYBAZSNZ-VWLOTQADSA-N 494.551 5.119 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 609377754 KVQMDBGIXMXSIF-KSZLIROESA-N 452.580 5.581 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 609406484 QOTAUDOPRRYRRM-UHFFFAOYSA-N 493.526 5.270 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 613392509 QUUCSAQEZZAUMW-SFHVURJKSA-N 465.987 6.298 30 20 JKED O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301361 OHLJCKVLMKFOBE-HOTGVXAUSA-N 486.431 6.496 30 20 JKED N#C[C@H](C(=O)c1cc(Br)c2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 623584336 MPUZTXBOFPTOHM-LLVKDONJSA-N 483.265 5.339 30 20 JKED O=C(Nc1ccccc1SCC(F)(F)F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 643049542 KTRBQXIYWVUFOX-UWVGGRQHSA-N 496.395 5.305 30 20 JKED O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cc(F)c(F)c(F)c1F 643414446 MHKMULBABFDBDS-IBGZPJMESA-N 467.344 5.658 30 20 JKED C=CCN(C(=O)c1cc2cc(C)ccc2nc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 684811366 KNCUJQWCIIPJHC-UHFFFAOYSA-N 477.611 5.211 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccsc2)cn1 726117528 CDIFFXIAKCQOBC-LJQANCHMSA-N 488.038 5.087 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 726307849 KQHLUUUMVRWVIV-PIKZIKFNSA-N 475.548 5.950 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)cc1F 726413166 WESCERWVQKAIMA-QHCPKHFHSA-N 492.576 5.007 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCCC2)cc1F 726413193 WKCBXPALNYTPND-NRFANRHFSA-N 455.555 5.046 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(C2CC2)C1=O 726420491 HZFPZKFELQNDLV-QBLAXEKDSA-N 478.039 5.271 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S/C1=N/[C@H](C)c1cccs1 726420609 IWSQKRBUCNXCMM-PKWGXKOHSA-N 481.643 5.328 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccsc1)c1cccs1 726420949 KGUCQQYYVGZCTP-KHANYUJCSA-N 491.610 5.678 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)c1 726428197 GYSLPVWBBBUJLS-RAXLEYEMSA-N 497.551 5.420 30 20 JKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=S)Nc1ccc(C#N)c(Cl)c1 726474764 IYKRDLXKBRFKHY-UHFFFAOYSA-N 463.912 6.709 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)cc1C 728776030 HBIDGQDMYFDBJH-NRFANRHFSA-N 452.555 5.097 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCCCC#N 728779769 KOVPBGHMYFRMEN-NRFANRHFSA-N 485.009 5.311 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(S(C)(=O)=O)ccc1Br 728816969 BRJCTSNOAJCLRQ-UHFFFAOYSA-N 485.359 5.077 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3scnc3C)C2=O)cc1 729144912 ZZHROVXRMFQCLT-LJQANCHMSA-N 468.579 5.060 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1sc2cc(Br)ccc2c1Cl 729889645 RUDLORLQZVMQDY-MRXNPFEDSA-N 483.774 6.432 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 729890326 YQFQYPFWOMZRCB-JOCHJYFZSA-N 451.530 5.203 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)c(C)c1 730445257 VROXEBFERHFDOD-QHCPKHFHSA-N 476.602 5.111 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730645229 YXDLZNNGAAGFCH-QHCPKHFHSA-N 484.936 5.397 30 20 JKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 730997008 GQEDZTZHHDZVOM-CQSZACIVSA-N 450.532 5.269 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 731332746 RBGISMKHSGCROD-MRXNPFEDSA-N 478.039 5.161 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c1 743523942 FPSDBAINKODROO-QFIPXVFZSA-N 480.565 5.208 30 20 JKED C=C(Br)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1F 743524573 KYULBEKOTWRGCT-GOSISDBHSA-N 494.361 5.142 30 20 JKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 745625680 DGJSJYXZERPFAZ-SDNWHVSQSA-N 480.480 5.300 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O)Nc1ccc(F)c(Cl)c1 747599634 LAWWGIIFSPCTIY-GOSISDBHSA-N 492.960 5.235 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(OC(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 749658099 LRAFRKMWRJUBJH-UHFFFAOYSA-O 459.635 5.729 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)c3cc(C)n(CCc4ccc(Cl)cc4)c3C)cnc21 791560886 HXKNONNFESFRLA-UHFFFAOYSA-N 499.061 5.372 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1ccc2ccccc2c1 799218669 ITKLHNFNDSWHLI-LJQANCHMSA-N 475.467 5.502 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NC(C2CC2)C2CC2)ccc1Cl 817765041 OYYRQWSBIXSUKH-UHFFFAOYSA-N 479.429 5.293 30 20 JKED N#CCCn1cc(C(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)c2ccccc21 829404252 XSOWYFHUVXYLMV-UHFFFAOYSA-N 466.566 6.035 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccs2)c1 837363729 VECUFAUVCYWWJI-JOCHJYFZSA-N 479.627 5.534 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(C3CCN(C(C)C)CC3)C2=O)c1 837546553 NSFVJPKFCUUYKW-DEOSSOPVSA-N 478.662 5.137 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 837870655 VPMPEJPVYPMJKW-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)CCc2ccco2)cc1 838034594 XYHFTCCULIJZSQ-MBSDFSHPSA-N 477.586 5.270 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1OC 838504964 ZHSHTTAELOSBQQ-QGZVFWFLSA-N 466.390 5.372 30 20 JKED CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(O)Cc1cccc2ccccc12 901367458 GXUZEIHZKLZVCJ-NRFANRHFSA-N 477.413 5.416 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2ccc(OC)c(OC(F)F)c2)c1=S 914784276 JPACDCZUBZBURV-UHFFFAOYSA-N 464.513 5.106 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 915085133 GZOGLFRHNXRQAX-DNQXCXABSA-N 478.379 5.892 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 915351380 ABQQICIDLXAKEZ-SFHVURJKSA-N 486.444 5.392 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 915571079 CNJYMKFNPKZLLR-ZDUSSCGKSA-N 485.924 5.157 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S 915814371 YJMVXEGTLPYHLF-RXVVDRJESA-N 491.642 5.517 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)Nc1ccc(Oc3ncccc3C#N)cc1C)O[C@H](C)C2 915860287 QWECACHCIRBOMG-IEODJVTJSA-N 455.514 5.428 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cccc(Cl)c1 916215533 XEHBQHMBTKVYLF-HXUWFJFHSA-N 475.998 5.118 30 20 JKED N#CCOc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)c1 916410185 ZOQTTWVLJGVIJR-UHFFFAOYSA-N 459.509 5.301 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c(F)c1 916683649 BPDHUBHPXGGDKX-QHCPKHFHSA-N 490.966 5.691 30 20 JKED N#C[C@@H](C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996601 OALLOGRVKFHXDN-KRWDZBQOSA-N 481.364 5.217 30 20 JKED CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc(COc4ccccc4C#N)o3)sc2C)s1 917097526 ZPHOSKZEXZTJKL-UHFFFAOYSA-N 492.582 5.112 30 20 JKED C=CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 917370497 SKOJFFCVGPEEDB-UHFFFAOYSA-N 491.638 5.454 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3)C2=O)c1 917702664 HMWPQOHOOVAGMX-DEOSSOPVSA-N 468.582 5.336 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3scnc3Cl)c2C#N)C1 919415300 HUCFNXHMBASSDT-LLVKDONJSA-N 452.001 5.066 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 920177353 YYGKLNRFDGIHLZ-BXKMTCNYSA-N 488.588 5.431 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccccc2F)no1 920353244 FBUOXFJWTXQUOC-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)SC2=Nc2ccccc2)no1 920354666 GGFBLSHMMBNDBX-IBGZPJMESA-N 489.384 5.450 30 20 JKED CCOc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)cc1 920357156 VZRGDNHUDYNUJQ-XMMPIXPASA-N 489.597 5.254 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccc(C3SCCCS3)cc2)c2ccccc21 921179506 SIHDDEYIOUYVLY-UHFFFAOYSA-N 450.585 5.463 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)n(-c2ccccc2)n1 1785880268 AOGCYQMLIQLSOG-UHFFFAOYSA-N 489.579 5.043 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCCC(=O)OC(C)(C)C)cc3)CCC2)c1 1786163136 MLZJXMRYSRZZKJ-HXUWFJFHSA-N 489.616 5.573 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1 1786391439 NAGXATJDSUFJRZ-JOCHJYFZSA-N 485.053 5.252 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](S)C(C)C)CCC3)cc2)c(C(F)(F)F)o1 1787397722 ZNOQYJGUTBXKQD-KRWDZBQOSA-N 454.514 5.309 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4nn3)cc2)CCC1)C(F)(F)F 1788494929 XALXYBVWCODDBH-UHFFFAOYSA-N 474.870 5.149 30 20 JKED CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1788531420 VQBVKPSEIUQYQM-QFIPXVFZSA-N 496.652 5.144 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1788670440 PCLNMXZLOMZJER-UHFFFAOYSA-N 490.563 5.512 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5cccnc45)cc3)CCC2)cc1 1788909247 IASUCXKPPCEVMJ-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5[nH]4)cc3)CCC2)c1 1789317514 AETWTRYLSXMXMM-SFHVURJKSA-N 463.541 5.251 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)n5ccccc45)cc3)CCC2)c1 1789990307 BVHXYNWAWYTYEB-UHFFFAOYSA-N 499.574 5.868 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4c(ccc5ncccc54)s3)cc2)CCC1 1789998706 PXBIFXZLXUEHBN-HNNXBMFYSA-N 461.612 5.516 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5s4)CCC3)cc2)c1 1790072561 FJBXTIOCVHLNLG-UHFFFAOYSA-N 471.538 5.436 30 20 JKED C[C@@H](Cc1ccncc1)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083067 YPLKLKLSGPZGLZ-SFHVURJKSA-N 472.976 5.233 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CC3(F)F)CCC2)cc1 1790521470 KVDLOWPQGVWWKI-YADARESESA-N 491.579 5.025 30 20 JKED Cc1nscc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785589 UBCSFXOBBUIJTJ-UHFFFAOYSA-N 484.503 5.404 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790947046 VWBLMACLYLUKTG-SANMLTNESA-N 497.595 5.749 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C)sc34)CCC2)cc1 1791298639 LGPKLJHUBWFRNE-UHFFFAOYSA-N 455.530 5.564 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)cc2)CCC1 1791481965 SQMABIVYBFQYOY-NHCUHLMSSA-N 453.380 5.263 30 20 JKED COc1cc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1792074319 PACPYJCSMIHMCY-SFHVURJKSA-N 471.532 5.523 30 20 JKED CC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1O 1792127146 QWBKNDFLTABGTR-GOSISDBHSA-N 496.567 5.039 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCC(C)(C)C)C2 1793833290 PHQHGYJQIOHHII-CIAFKFPVSA-N 477.690 5.091 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1SCc1ccccc1 1799020876 QJVQAXZBVRGLIR-UEQSERJNSA-N 475.658 5.394 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)ccc3s1)C2 1801695063 BQDBPTOBNFTDPU-MUJYYYPQSA-N 483.378 5.127 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1802438068 REXXIQKRXPNFKE-UDLLKNRZSA-N 451.636 5.245 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@H](CNC(=O)[C@H](S)C(C)C)[C@H]2c2cccnc2)cc1 1803604214 QIIBHJVKDOUIAX-XSBVVTFOSA-N 487.669 5.331 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)cc3Cl)CC2)C1 1805459777 TVZDJLXFMQRZFT-PKNBQFBNSA-N 457.014 5.058 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)cc1 1805948093 UVWQOUUHPVTZNZ-IZZNHLLZSA-N 494.752 5.081 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1807480376 SRXWCMBITUUVAG-WNJJXGMVSA-N 497.639 5.292 30 20 JKED Cc1ccoc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1808500527 SDEVXTYENSMRLF-VSGBNLITSA-N 489.575 5.016 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4)CC3)C2)c1 1810353857 IBOYVKFYZBAEFL-UHFFFAOYSA-N 478.596 5.087 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 1810386625 GXWCUNYUSKIUFR-HXUWFJFHSA-N 499.577 5.824 30 20 JKED Cc1c(C(=O)N2CCCC3(CCN(C(=O)Cc4ccc(C#N)cc4)CC3)C2)[nH]c2c(Cl)cccc12 1810729394 UNXYRNABLDXPMJ-UHFFFAOYSA-N 489.019 5.089 30 20 JKED C=C1CC(C(=O)N2CCC3(CCCN(C(=O)c4cc(Br)c5ccccc5c4)C3)CC2)C1 1810760558 ZIRYHPJJAJUGEY-UHFFFAOYSA-N 481.434 5.413 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(F)c2)[C@@H]1c1cccnc1)c1ccccc1 1810800158 CKZMHCNGSBVDND-WIRXVTQYSA-N 483.587 5.046 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812303336 XZIYGXOPEDCICC-KDYSTLNUSA-N 465.553 5.104 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1815247071 VNUXMNPVDSKLBR-FUHWJXTLSA-N 499.862 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)nc2)n[nH]1 1816493873 YGGTUUOEKXPLDT-QGZVFWFLSA-N 463.504 5.122 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)n[nH]1 1818160250 MWHLWJXCJIHBQL-QHCPKHFHSA-N 489.576 5.148 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1819307933 QSJLFGJXQIYCGV-FXAWDEMLSA-N 451.958 5.009 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccoc3c2)[nH]n1)c1ccccc1 1819517890 AQPJXQQGDFXZBT-URXFXBBRSA-N 481.556 5.054 30 20 JKED CC#CC[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3nc(C)ccc3o1)CC2)c1ccccc1 1820028693 IQTFSLLOMXPALI-UXHICEINSA-N 498.608 5.016 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1820485069 NPTFXSNUTDREBL-HRBBJJPOSA-N 465.513 5.047 30 20 JKED CC(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1 1820592537 UBGOEQGFLALQKE-DEOSSOPVSA-N 455.562 5.219 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccc(Br)cc3c2C)n[nH]1 1821612643 YZYARDPGOIYRLR-VBKZILBWSA-N 498.425 5.480 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](CC=C)NC(=O)OC(C)(C)C)n[nH]1 1823347141 XIXNCRGEYIMBHG-UNMCSNQZSA-N 499.656 5.030 30 20 JKED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4ccoc4s2)CC3)c(Cl)c1 1823678168 OYKDNCJVKFZZLU-ZDUSSCGKSA-N 482.974 5.015 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2Br)CC1 1823753087 UQZCISHBXPUPPH-IBGZPJMESA-N 465.432 5.268 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1824143994 VEKOEPYCYQYMGA-RUZDIDTESA-N 451.586 5.309 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824245478 AMGJODZEWUFUGJ-HTIOENIKSA-N 456.030 5.147 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1824540332 XJTQKGAVMQVFTK-NHCUHLMSSA-N 487.632 5.276 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(Br)c2C)CC1 1824961129 UUZZFNVHTSETLM-NRFANRHFSA-N 497.474 5.049 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827733034 YXQWNUFBIVIDJP-AUSIDOKSSA-N 485.024 5.424 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1828824574 LSCSXLJZXKMPEY-AQHOXQCLSA-N 477.693 5.439 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685966 UGRTYVCFVVQEID-NTKDMRAZSA-N 496.076 5.626 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1)C(F)(F)F 1830599552 LVKJHZARLFZHQQ-OAQYLSRUSA-N 466.544 5.216 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)cc2s1 1830716795 KNEMMVLWTOHFMI-QHCPKHFHSA-N 478.593 5.096 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058990 BQUZMMCMISESBL-AHWVRZQESA-N 488.628 5.392 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(C)snc3s2)CC1 1831445016 VMQOHZJGUQISBC-QGZVFWFLSA-N 467.607 5.111 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1831449429 ZMOWSWOORYBDKL-FPOVZHCZSA-N 464.984 5.201 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@@H](C)S)CC3)ccc21 1831844082 PSBQSEISSQZEAD-NTKDMRAZSA-N 477.674 5.366 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1831851736 UWXHHDBHZKQSSS-MHZLTWQESA-N 482.628 5.267 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 1832030642 WJEOYXRSXAJTRG-DEOSSOPVSA-N 499.493 5.294 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1 1832628862 DXVCXLRRRRMDRE-CUNXSJBXSA-N 469.629 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c1 1832633831 OCLSWFHHTIWJCP-CJAUYULYSA-N 465.544 5.139 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](CCC)CC3)CC2)CC1 1838424427 GPHZMEICPBSTIN-YHBQERECSA-N 460.703 5.584 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccc(OC)cc1 9145207 AKBVOFSQFIINNO-UHFFFAOYSA-N 493.614 5.003 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 9330926 WHSWWPFOZGDWDA-QGZVFWFLSA-N 457.534 5.123 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)cc1 10173575 VGKSUDQLZNVWLA-UHFFFAOYSA-O 455.647 5.955 30 20 JKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccccc1 10711283 YCLCCXIJACOCMT-XMMPIXPASA-N 487.581 5.406 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1CCC1=CCCCC1)C(=O)Nc1ccccc1C#N 11461420 WCARKWYHUKXOSI-GOSISDBHSA-N 458.587 5.278 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C)cccc2C(C)C)c1 14739545 NGQIENYXCOGKJT-UHFFFAOYSA-N 483.033 6.405 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1cccc(CO)c1)c1ccc(Cl)cc1 14872512 BXBUVGRZOMBTKI-UHFFFAOYSA-O 481.903 5.069 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18085165 KUOKQLHQGIGLEX-UHFFFAOYSA-N 496.441 5.200 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccc(Cl)cc1 21333693 AGAOAQNAHVBPTC-UHFFFAOYSA-N 454.983 5.354 30 20 JKED COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)sc2C)cc1 22295786 QQDJBNUGDDBNHF-CYBMUJFWSA-N 466.584 5.338 30 20 JKED C=CCn1c(S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nc2sc(C)c(C)c2c1=O 22616506 UIDDENLWGGPRIP-CYBMUJFWSA-N 458.634 5.029 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)nnc1-c1ccoc1C 22985966 WNIALWKOCKXOCO-UHFFFAOYSA-N 458.543 5.260 30 20 JKED COc1cccc(-c2nnc(S[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2Cc2ccco2)c1 24006550 QITLZJAGLZTSQF-XWJIAHPJSA-N 493.633 5.006 30 20 JKED COc1ccc(NC(=O)c2ccccc2SCC#N)cc1S(=O)(=O)Nc1ccc(Cl)cc1 24400451 RJTQCKBINHARMB-UHFFFAOYSA-N 487.990 5.017 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 32787652 NTBMTMZAQRNRSP-HOTGVXAUSA-N 477.659 5.331 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 32941864 XSDBRCBSBQSOSP-UHFFFAOYSA-N 480.568 5.294 30 20 JKED COc1ccc2c(C)cc3nnc(SCCC(=O)Nc4sc5c(c4C#N)CCCC5)n3c2c1 105434774 XNABCWAROBYQBZ-UHFFFAOYSA-N 477.615 5.132 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 107980436 NSTIEKBHRHFVAG-UHFFFAOYSA-N 465.475 5.011 30 20 JKED O=C1/C(=C/c2ccc(O)c(Cl)c2)CN(c2ccccn2)C/C1=C\c1ccc(O)c(Cl)c1 207716398 NLWNWMXPMXXMMG-BEQMOXJMSA-N 453.325 5.356 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1 255501307 NYGPUEOYRGLPNU-HXUWFJFHSA-N 455.486 5.027 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nc(-c2ccccc2)no1 302851795 UMXFTUVIKZXSJO-HNNXBMFYSA-N 453.955 5.600 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1 303097300 AWQXCMYDCJZCPX-VWLOTQADSA-N 483.593 5.321 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(C)n(-c4c(Cl)cccc4Cl)n3)n2)cc1 481829612 IEEZDFUAEFCFEE-OAHLLOKOSA-N 484.368 5.505 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 492877894 NLRPIIMYRPEZAF-QFIPXVFZSA-N 461.656 5.554 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 497829098 RPHNIEZJWGFVGD-RTBURBONSA-N 450.539 5.036 30 20 JKED Cc1csc(Sc2c(Cl)cccc2NC(=O)CCc2c(C)nc(O)c(C#N)c2C)n1 499241725 BTUFRABXRYZFKO-UHFFFAOYSA-N 458.996 5.417 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cn2)c1 500130839 GKVZLADJHJTRDF-UHFFFAOYSA-N 494.551 5.849 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC(F)F 500170207 GTKSHIDGTJROGX-IBGZPJMESA-N 471.891 5.927 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)c1 501699160 PQOXEMITBOFOCS-UHFFFAOYSA-N 458.370 5.571 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1C 502604903 VLKPRJRHYMKFTO-MRXNPFEDSA-N 476.390 5.645 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 508391617 UPYBJSBDVZRETQ-AREMUKBSSA-N 476.536 5.034 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 508726557 JPMBVDPSEBZWJV-AWEZNQCLSA-N 490.368 5.072 30 20 JKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)C[C@@H](C)C2 509229539 BMFJPVOIJZAPGT-GMQRBVGNSA-N 455.558 5.361 30 20 JKED COC(=O)c1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC 510007732 WSWLRHBYFVUOTR-NRFANRHFSA-N 463.921 5.112 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)Nc3ccccc3-c3nc4ccccc4s3)CC2)cc1 511239973 JZZMQLZKLMODBV-UHFFFAOYSA-N 453.571 5.185 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1nc2ccccc2[nH]1 511344337 MFWICHZDXZKMOZ-GOSISDBHSA-N 459.303 5.068 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)c2)c1 511482349 JPAOIRCWNXPGBU-NDEPHWFRSA-N 472.548 5.990 30 20 JKED Cc1ccccc1-c1cc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n(Cc2ccccc2)n1 511657235 VZKGNDADMAEQFK-UHFFFAOYSA-N 498.608 5.237 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 517277230 BCOUCAYSCKRCRO-YDIMBITNSA-N 498.608 5.340 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)cc1 518516457 DKXHYNFABTYHHV-XMMPIXPASA-N 460.518 5.623 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 520197598 IKORJFNXRHJPOM-INIZCTEOSA-N 476.524 5.090 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 520486797 SDWXDBABDMRHKX-UHFFFAOYSA-N 495.501 5.419 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2Cl)cc1 520947107 DTUUCIUWFXTNBP-ZEQRLZLVSA-N 493.922 5.118 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 520947260 KIEXOBVQMZVQKX-QFIPXVFZSA-N 477.973 5.604 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1c1ccsc1 521740233 QMLRNAYIOQVLKR-MRXNPFEDSA-N 453.511 5.075 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 523561113 HBZAFDLUFGFENL-NRFANRHFSA-N 498.652 5.598 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCN1CCc2ccccc2C1 524441665 VTSDNCJGQKSIKV-UHFFFAOYSA-N 454.574 5.016 30 20 JKED N#C[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1cccc(Cl)c1Cl 524572746 RDGLTMYPCNCFTL-MRXNPFEDSA-N 481.202 5.803 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CC2)cc1 603596202 UZVQNSKWEVLKRV-UHFFFAOYSA-N 493.394 5.075 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc3ccccc3c2)cc1Cl 604143030 GPLWTZVPIXPTSF-VWLOTQADSA-N 467.956 5.446 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 609061926 KPTTXJWTPZSYRI-UHFFFAOYSA-N 465.557 5.901 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 609080156 RFWXUVJDAOCBRK-KRWDZBQOSA-N 488.975 6.022 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCC3)cc2Cl)cc1 609206939 BUGXKEFBMJIIGL-XMMPIXPASA-N 488.975 5.359 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2sc(C)c(C)c2c1=O 609371072 XLYDAUSTDQLKIG-CQSZACIVSA-N 484.672 5.386 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 609377942 LPFYXNMKBVUDSN-OALUTQOASA-N 479.627 5.230 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 609399366 PXYSRSWZJGPKCD-OAHLLOKOSA-N 454.983 6.144 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1 612894620 CMMCRZWYYJWZER-OAQYLSRUSA-N 479.627 5.092 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CS(=O)(=O)c4ccc(C)cc4)cc3)n2)cc1 613318951 KGAIDXOPCOJOHN-DEOSSOPVSA-N 486.618 5.891 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c12 618301193 LHWKUMSMMFYQIP-CHWSQXEVSA-N 475.364 5.540 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 620373453 HYKSMRUXNFIJTC-UHFFFAOYSA-N 467.491 6.486 30 20 JKED C=CCn1c(SCc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)nnc1-c1ccoc1C 684184233 LVWXNGCQGYSRCW-GFCCVEGCSA-N 452.609 5.037 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(COC(C)(C)C)c2)c1 726106377 MPLRCGYFNXAFHG-HSZRJFAPSA-N 497.636 5.250 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2Br)n1C 726319657 MQYCLSOXSHGTNV-IBGZPJMESA-N 478.390 5.541 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\[C@@H](C)c1cccs1 726422201 UDEUZMOWPNYTQS-XQLODVTCSA-N 473.664 5.037 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2sccc2C)C1=O 726422455 WDUIRGVIHJNELC-IRZSWSETSA-N 499.683 5.717 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)c1 726503370 RIRLIOBNSHWLAJ-UHFFFAOYSA-N 497.894 5.437 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)cc2Cl)cc1 726572346 ZKXROULVZORJDZ-UHFFFAOYSA-O 489.835 6.692 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 727155574 AWIZPXGZOJYROX-DEOSSOPVSA-N 473.529 5.564 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2CC(F)(F)F)c1 728424938 JTZLXOYYZGBFEK-LJQANCHMSA-N 474.508 5.204 30 20 JKED CC(=O)Nc1ccc(/C=C2/CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cc1 728438846 QVWVSWZUZITOET-VBKFSLOCSA-N 453.361 5.744 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 728667864 DJFCLDOVGLLOSJ-IBGZPJMESA-N 485.540 5.017 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc(O[C@@H](C)C#N)cc2)C(=O)c2ccccc2)c(Cl)c1 728698374 IGJIHAMCUPFLLA-MIDMBNTASA-N 458.945 6.153 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3scnc3C)C2=O)cc1 729141494 AJCNHEXPWHPBNT-NRFANRHFSA-N 494.642 5.319 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1 729144688 XSDLCYBTPNJRHI-LJQANCHMSA-N 468.579 5.060 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729146756 XOMGRKBNVUPHRY-TZIWHRDSSA-N 459.974 5.088 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 729365012 GFUNHTDCEHEUNB-MRXNPFEDSA-N 476.554 5.535 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 729891103 BSMHLBZDYNHTLV-ZDUSSCGKSA-N 467.761 5.509 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](NC(=O)c3ccc(C)cc3)c3ccccc3)n2)cc1 729892659 GADMGBBEHHYOSM-JWQCQUIFSA-N 495.604 5.865 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730944431 WNHRPMBXXXUIOF-MBSDFSHPSA-N 476.577 5.559 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc2c(c1)OCCCO2 730955264 WUHBEZHKMZCDOC-UHFFFAOYSA-N 453.511 5.681 30 20 JKED CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2[N+](=O)[O-])CC1 731061201 QOMMTJPGKHDWGJ-GOSISDBHSA-N 496.589 5.021 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731068278 YKGSQCHMWAWAED-CQSZACIVSA-N 469.563 5.305 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731071066 VDYSJBBZFBNUHL-CYBMUJFWSA-N 457.602 5.370 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 731074186 KGUHVDOTMWOXPB-ZIAGYGMSSA-N 483.442 6.050 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)s1 731306068 KHTKBUHZKKMSOA-IERDGZPVSA-N 465.600 5.484 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccs1 731310223 CQXRMWUPIZKRSI-FQEVSTJZSA-N 486.018 5.576 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 731400756 TUWMGIWTAMMQMV-DNVCBOLYSA-N 460.397 5.449 30 20 JKED CC(C)[C@@H](OC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 743053958 XVLZSVSGACKJAM-MRXNPFEDSA-N 451.338 5.683 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCc2cccc(C)c2)C1=O 749098854 IHPRGUVCDTVGDZ-RUZDIDTESA-N 498.608 5.078 30 20 JKED O=C(COC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F)Nc1c(Cl)cc(Cl)cc1Cl 756281892 NODACAJJMSEOIL-WAYWQWQTSA-N 495.668 5.499 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@H](C)c2ccccn2)C1=O 838534262 MDLACPBDRJOTQU-QRQCRPRQSA-N 496.539 5.090 30 20 JKED CC(C)Cn1cc([C@H]2N(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC23CCOCC3)cn1 849533204 SFVOISNODKSVBT-AREMUKBSSA-N 488.563 5.336 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 863917122 WAMBOCXAAFZPLF-UHFFFAOYSA-N 497.732 5.001 30 20 JKED COCO[C@H](C)c1cc(F)c(CNc2cccc(C#N)c2Br)cc1Br 864016158 UMQVHSIAHCEIJO-LLVKDONJSA-N 472.152 5.516 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)/C=C\c4cccnc4)c3C#N)C(C)(C)C2)o1 864096418 DPSLVDDFSMHPPN-WAKDDQPJSA-N 499.592 5.889 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915088007 YOLSNLBIDOTDIV-KDYSTLNUSA-N 487.625 5.466 30 20 JKED N#C[C@@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 915104066 JMOVRZHVCPQZPY-NSHDSACASA-N 468.382 5.560 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCC(C)C 915785641 RWQQQQUPKCNUPX-CJFMBICVSA-N 485.584 5.201 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNC(=S)Nc2ccc(Cl)cc2Cl)cs1 915924684 AWWPGRIUEOFEFP-UHFFFAOYSA-N 464.403 5.455 30 20 JKED COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1OC 916137732 PLOLKNKKZRAIPB-UXBLZVDNSA-N 456.325 6.159 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cl)cc2)C1=O 916204384 DITDLQZMDXNMBZ-QFIPXVFZSA-N 479.989 5.509 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(C[C@H]3CCCO3)C2=O)c1 916213607 GXNCECLGBTURSN-CTNGQTDRSA-N 472.010 5.096 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCc1ccccn1 916216786 YUOBRTDKECXPFF-HSZRJFAPSA-N 493.032 5.555 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916888341 WAUBZJFCEOQILY-GOSISDBHSA-N 482.468 5.614 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c1 916897237 LEDAOEUBQUHLOT-QGZVFWFLSA-N 451.935 5.232 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944451 DWBYDWDCJJTWHG-MRXNPFEDSA-N 498.160 5.075 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995632 AKTHMQYJEIXMCH-QGZVFWFLSA-N 486.380 6.033 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917042945 IGZGMNOQZRAQSB-OWCLPIDISA-N 483.540 6.851 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 917426502 NHQUHFAHQCMUAU-URXFXBBRSA-N 496.567 5.379 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN[C@H](c2ccccc2)C(C)(C)C)c1=S 917433073 VTQBWWBDEAZXAE-FCHUYYIVSA-N 450.608 5.447 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2cccc(Br)c2)c1=S 917482595 KMEAHLKXQMGTLC-IBGZPJMESA-N 456.413 5.219 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccsc3)C2=O)cc1 917687217 OMIMOOGSDIXMBP-QFIPXVFZSA-N 495.601 5.559 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1Cl 917872961 SHNOWZLEWLASPH-UHFFFAOYSA-N 450.781 5.504 30 20 JKED COc1ccc(CCCN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)cc1 918151542 XKCONHOUUKXGFR-RUZDIDTESA-N 498.608 5.160 30 20 JKED Cc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)cc1F 918492992 YNNZPSZHAWDIKG-CQSZACIVSA-N 474.439 5.622 30 20 JKED O=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918671635 GKWZCHDETPXBLY-GASCZTMLSA-N 470.388 6.244 30 20 JKED CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2csc(COc3ccc(Cl)cc3)n2)C1=O 918712336 JSZQJZRJCBQGAZ-UNOMPAQXSA-N 482.945 5.203 30 20 JKED Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(COc3ccccc3C#N)o2)cs1 919513673 WMRCPDDMLVRJCX-UHFFFAOYSA-N 487.537 5.033 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2csc(-c3cc(Br)cs3)n2)CC1 919632915 ZHLUNNVSYHUEJP-DAIAYTDJSA-N 496.452 5.110 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 920107538 CUWCOWOLZIMJJB-QFIPXVFZSA-N 458.880 5.293 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)n2)cc1 920144041 WRCSVWAZBPGJJG-HXUWFJFHSA-N 498.589 5.134 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H]1CCc2cc(F)ccc21 920170261 XZGIVNORGJMAKW-JWQCQUIFSA-N 498.583 5.023 30 20 JKED CCC(CC)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSC(C)(C)C2)on1 1694301800 PEJXLMDFSVYRFI-UHFFFAOYSA-N 480.638 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)C2)C1 1782092289 RQXGWVJJBIITOM-RUZDIDTESA-N 497.463 5.217 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)CCC3)cc2)cc1 1785881795 OVTGCWVLNQUKHR-UHFFFAOYSA-N 484.506 5.308 30 20 JKED CC(C)[C@H](C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1)c1ccccc1 1786182373 VHYDYZBWTPCJPK-GBCYJOOSSA-N 457.574 5.272 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ccn4)CCC3)cc2)c(C(F)(F)F)n1 1788357444 NBHBARCNGDKAEP-UHFFFAOYSA-N 499.880 5.082 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc(F)cc(F)c3)CCC2)cc1 1788649933 KIGLTGNQWVSYJY-CMDGGOBGSA-N 466.509 5.213 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnn5ccccc45)cc3)CCC2)c1 1788932513 MTRDONXMOCVXMX-IBGZPJMESA-N 463.541 5.023 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)no4)cc3)CCC2)cc1 1789782124 QNLHGJRNMAIOBF-UHFFFAOYSA-N 476.536 5.204 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCCC4)c(F)c3)cc2)CCC1 1790062945 JGYPTEJIABVNKO-UHFFFAOYSA-N 479.596 5.156 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)cc1 1790286795 KPEIGHPOCWZRSS-FTJBHMTQSA-N 465.553 5.118 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790591418 ZJNLAYRFNRHECC-FQEVSTJZSA-N 470.573 5.297 30 20 JKED CCOc1c(F)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)ON=C(C)C)CCC3)cc2)cc1Cl 1790727896 MUFUWOUFHKQWIQ-MRXNPFEDSA-N 489.975 5.426 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5cc(F)ccc5n4)CCC3)cc2)c(Cl)c1 1790767696 FQIOBPCUOJXFDR-UHFFFAOYSA-N 487.922 5.060 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccccc5Cl)CCC4)cc3)c2c1 1790836061 SNGOTBJNRUMIJH-UHFFFAOYSA-N 483.959 5.078 30 20 JKED CCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791262683 JEOOGNQSJQIINY-UHFFFAOYSA-N 496.652 5.098 30 20 JKED CC/C=C(\C)C(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)cc2)CCC1 1791522051 ZYFSOZKFNVOREY-OTJDAXFFSA-N 489.682 5.079 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2CSc2ccccc2)cc1 1800664964 KCDNCWDZLZWSPA-OOSCYNTBSA-N 495.648 5.611 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Br)ccc1Cl 1801592695 DOZYQBLIJDMTJI-YRPNKDGESA-N 479.846 5.052 30 20 JKED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1802297058 LYIJWQDFJASTRU-FZDIXFNVSA-N 478.536 5.068 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)[C@@H]2c2cccnc2)C1 1802413101 KZEHYPUJMVCMJE-PXDATVDWSA-N 478.036 5.219 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1802502532 IKILDQFYOOIRRV-KSNOWIBYSA-N 458.606 5.021 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1803078306 TVFRMUKMBZOUKO-RPLLCQBOSA-N 484.600 5.133 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803229485 YBGIAFPTFBDHAL-DURWQBQJSA-N 480.052 5.374 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)cc2C(F)(F)F)c1 1803893659 PZQJJWNVFNANKR-ACDBMABISA-N 489.925 5.115 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)c1ccc(C(F)(F)F)c(F)c1 1804137337 CKRBBNOKKBORLC-MDWSFGPVSA-N 494.451 5.465 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc5c(c4)c4ccccc4n5CC)CC3)C2)C1 1804782705 WNZPYOGOWUFCRV-UHFFFAOYSA-N 469.629 5.625 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 1806016240 REJYFXFSRONBHC-UHFFFAOYSA-N 486.962 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1810181639 JMDVPDQVBFULOE-GTNKKZTPSA-N 459.634 5.222 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)[C@@H]1c1cccnc1 1810500815 XSVKNVHBGHNMDG-PXDATVDWSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(F)c(F)c3)CC2)[C@H]1c1cccnc1 1810504577 GFSWJQKEDOSLQN-YKSBVNFPSA-N 481.587 5.090 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c1Cl 1811424274 HLXKSRBGVNVFLO-WXVAWEFUSA-N 499.014 5.119 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccc(C)cc4s3)[C@H]2c2cccnc2)c1 1811944166 KZEVAWABOCTJHC-HOFKKMOUSA-N 494.620 5.418 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1811952350 LYWRSUANQCWAOG-PXDATVDWSA-N 481.612 5.320 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1812986792 OYUXTKSCKNVVDI-OFVILXPXSA-N 498.092 5.172 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)[nH]n1 1814829184 LZKYMMSKVXXTPP-OAQYLSRUSA-N 495.027 5.348 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1815653678 MQRZQUVJFIUEFZ-NRFANRHFSA-N 484.025 5.145 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)c1Cl 1815984013 UVARFBQSWNUTRM-UCFODXPJSA-N 465.966 5.016 30 20 JKED C=CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)sc2C1 1816045341 OTJQWZUJHGSTGN-MRXNPFEDSA-N 486.519 5.026 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)c(F)c2)n[nH]1 1817766380 ZJRNNHZXOOLVDC-NZQKXSOJSA-N 499.587 5.010 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)c(F)c2)n[nH]1 1817766696 QBNBUODOFKKUAI-KSFYIVLOSA-N 479.531 5.268 30 20 JKED Cc1ccc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)ccc2n1 1818405084 NRTOZOZDXSEVHR-OPAMFIHVSA-N 495.608 5.166 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3ccc(OC)cc23)n[nH]1 1819059271 VXPGHPRRMFKDHV-QFIPXVFZSA-N 463.582 5.198 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccccc1 1819516303 KUYATGZABFBQCF-TZIWHRDSSA-N 474.527 5.332 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820219958 AGOWZRDARJGOHE-XLIONFOSSA-N 451.958 5.009 30 20 JKED COc1cc(C)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1821016454 FBXZNFBLRLKNCN-QHCPKHFHSA-N 480.685 5.084 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c1 1821120663 AANPKKABFWAKHF-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821158750 IFTTYIVVRIMJAX-VWLOTQADSA-N 489.620 5.106 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)[nH]n2)c(Cl)c1 1821274523 GKUHQDDZNUSQCM-JOCHJYFZSA-N 497.933 5.152 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)n[nH]2)C1 1821287373 WYCBBNHHCZRMMQ-QGZVFWFLSA-N 451.329 5.128 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1)Oc1ccccc1 1821784786 UIZKEQAYGZBYCM-URXFXBBRSA-N 494.712 5.311 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1821918216 HEXPEFJYRBOZOW-UGZSSSENSA-N 460.500 5.346 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cccc(Br)c3n2)[nH]n1 1821925183 NJUBYRLBZVEBAC-MGPUTAFESA-N 496.409 5.239 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCCCCCC(=O)OC)[nH]n1 1822404977 SEXYQGDGIUULMQ-OAQYLSRUSA-N 460.619 5.052 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCc3ccccc3F)[nH]n2)c1 1823210299 BVVNEWJWDVVPOZ-DFBJGRDBSA-N 487.579 5.505 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)[nH]n2)CCC1 1823379207 OCXJSPJTGOKCNQ-JOCHJYFZSA-N 469.545 5.202 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C#N)CC1)c1ccc(Cl)cc1 1823883347 POPQGDVMLAQNCA-PKTZIBPZSA-N 458.046 5.249 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 1824142903 ALQFJHLJEBWTKX-JOCHJYFZSA-N 463.544 5.102 30 20 JKED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824224556 RHFICFSZCRPCAC-MRXNPFEDSA-N 492.626 5.029 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824503491 CLHHGQNLJXJYNC-YNJKOYDBSA-N 475.073 5.290 30 20 JKED Cc1scc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1C 1826180971 LGZTVCCURVEYIG-RUZDIDTESA-N 463.647 5.103 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3)CC2)cc(C(F)(F)F)c1 1826369526 PTGVGGIMIBMHLV-VWLOTQADSA-N 497.561 5.443 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3cccc(C)c3)CC2)C1 1827332814 FAJDWNKMBIWMKY-SANMLTNESA-N 457.618 5.257 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)CC1 1827650495 CUSRPKSTGGHEDN-RTBURBONSA-N 467.532 5.004 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1828339183 JDYZFEWXQHROCQ-OAQYLSRUSA-N 464.984 5.203 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCCO4)CC2)c1 1828448235 QAKOFLFTIBXBJL-DWACAAAGSA-N 499.655 5.115 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1828903933 PNDIGDSPQRVFAL-HHHXNRCGSA-N 491.752 5.162 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1)C(F)(F)F 1829582317 OZTKWMXDGXNYEA-LJQANCHMSA-N 489.563 5.506 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)c1 1829952165 GBAQPAHYZGKZLF-AMEOFWRWSA-N 496.655 5.170 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1830720792 GZRNQRDULTYWQY-DWJQHYKSSA-N 485.603 5.053 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177947 KOUPIEBNVMCBBS-YTMVLYRLSA-N 499.655 5.563 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 1831446572 BGVFLJYAUZZSGX-XMMPIXPASA-N 473.608 5.122 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832031280 HKYTVIJQSJCNSK-QFIPXVFZSA-N 466.519 5.271 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c(F)cccc3F)CC2)c1 1832633941 PJGLKGSNXXWUEH-NIYFSFCBSA-N 479.571 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3c[nH]c4ncccc34)CC2)c1 1832635925 YZFFBWTXFAWSPX-ZBLYBZFDSA-N 497.643 5.056 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)CC1 1838373232 CXHLVQAFQJRZMD-QHCPKHFHSA-N 496.051 5.269 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CC1 1838374833 JJDDEKQFRNTJMA-AREMUKBSSA-N 499.095 5.529 30 20 JKED COc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)s2)c1 10267418 DAKAIJBHHVMTKI-UHFFFAOYSA-N 471.633 5.223 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n1 12700784 XZKJJMYXXMARNE-FQEVSTJZSA-N 479.508 5.230 30 20 JKED CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SC[C@H](C#N)CCC#N)nnc23)cc1 15239579 BONSBERNCWJYEA-MSOLQXFVSA-N 456.575 5.083 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1C#N 18485769 GMSSTOXLWXZOLV-UHFFFAOYSA-N 463.570 5.047 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2sc(-c3ccccc3)cc2c1=O 20047649 IITIKFGDWLJTNX-UHFFFAOYSA-N 472.595 5.108 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2Cc2ccccc2)CC1 21643357 UFXLPBSCJMFBIO-FAFRJYIDSA-N 479.675 5.466 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1C 22695428 VSBZJQYVAGPOPN-UHFFFAOYSA-O 453.578 6.218 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)s1 22729432 FLVHXWQTICGZFB-UHFFFAOYSA-O 471.671 6.603 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccc(F)cc1 24014546 RGFRBTWEFQXYTC-GFCCVEGCSA-N 457.531 5.138 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1csc(-c2ccccc2Cl)n1 24106536 YJPSUISRUMBIDR-UHFFFAOYSA-N 477.767 5.644 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 28695895 HPMVTOJJUINDQI-UHFFFAOYSA-O 462.639 5.742 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nnc(C(=O)Nc2ccc(CC)cc2)s1 32785234 OWQMBWVFVUUOJE-UHFFFAOYSA-N 476.631 5.013 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 32946530 QJONKGFVSNOLEZ-SANMLTNESA-N 492.535 5.675 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1 107701909 UCSMDIPOPCHAMA-NRFANRHFSA-N 477.630 5.019 30 20 JKED N#Cc1cn(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)c2ccccc2c1=O 110653212 HFMKCGJXKUEDLX-AZNSJOHQSA-N 498.586 5.696 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 303081608 VJPTYOQKUSZWJY-UHFFFAOYSA-N 456.970 5.972 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 409542741 BUTJRXQWADWXLE-NVJIOZQYSA-N 474.634 5.285 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 481325784 SYGLAGRUEREBJB-UHFFFAOYSA-N 473.479 5.459 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(OC)c(C)c2)nnc1-c1ccc(Cl)cc1Cl 485968825 UANOFPXXTWVCAK-UHFFFAOYSA-N 491.444 5.506 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1 487836872 FVBZTDYKVDRMLS-UHFFFAOYSA-N 485.466 5.211 30 20 JKED C=CCn1c(SCCOc2ccc(Cl)cc2Br)nnc1-c1ccncc1 499262216 AVFYQMNNASAJIF-UHFFFAOYSA-N 451.777 5.113 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 501551033 MJXKFJJHCJZYON-CVEARBPZSA-N 456.999 5.151 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 505620618 KSZOPPLXRIGKNW-UHFFFAOYSA-N 467.529 5.814 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C2CC2)cc1 506305274 LYPMSWGYEVVREA-VWLOTQADSA-N 472.589 5.489 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1Sc1cc(CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 507097123 CZFMMBXLVKTKSS-UHFFFAOYSA-N 458.547 5.134 30 20 JKED C=CCOc1c(Br)cc(CNCCC(=O)Nc2cccc(Cl)c2C)cc1OC 507931329 STSPRICXHOQDSB-UHFFFAOYSA-N 467.791 5.103 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2(c3ccccc3C)CCOCC2)cc1 508272302 GXKXHHFYHREUQB-UHFFFAOYSA-N 471.557 5.538 30 20 JKED C=CCn1c(SCc2nc3cc(F)ccc3n(C)c2=O)nnc1-c1ccc(C(C)(C)C)cc1 508716570 ZBXCKTKMFCNWTH-UHFFFAOYSA-N 463.582 5.107 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 509497940 DPWQDBIGOUZZNC-UHFFFAOYSA-N 477.033 6.211 30 20 JKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)c1 510611910 BUANCWBDCWYPKH-UHFFFAOYSA-N 469.585 6.024 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 512857107 QBXQXUBNYCTQCU-CUBQBAPOSA-N 499.567 5.097 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nc2ccccc2s1 513656231 ZEADIXQNGJVMJO-MRXNPFEDSA-N 452.461 5.868 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513692621 QQRBVIGSHAQKOS-FQEVSTJZSA-N 455.539 5.345 30 20 JKED CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 513983890 VWNHFMRHFQALSV-JPYJTQIMSA-N 467.013 5.400 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 514190122 NMSZSWBIPAZEQA-XMMPIXPASA-N 462.594 5.308 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1)C1CCCCC1 514607618 SKXBTXQUJFGALJ-UHFFFAOYSA-N 490.654 5.817 30 20 JKED COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 516005670 GWXWXTDQIPUOHJ-UHFFFAOYSA-N 464.905 5.623 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)n2)cc1 516714077 OSGDBVHRGIMVBA-IBGZPJMESA-N 457.511 5.463 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1ccncc1 517532904 QZMWNFNWVGQLHS-RBUKOAKNSA-N 476.602 5.946 30 20 JKED COc1cc(CCC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc(OC)c1 518255399 BMVXBTOUMHRQHT-LJQANCHMSA-N 467.635 5.975 30 20 JKED CC(C)n1ncc2c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc(-c3cccs3)nc21 519139268 BMVKLWOTFREHEM-UHFFFAOYSA-N 471.586 5.296 30 20 JKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 519996910 IYMKDCRGJOOIFE-CQSZACIVSA-N 470.407 5.717 30 20 JKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 520932514 FFNYVLKSPNSIMF-QGZVFWFLSA-N 458.587 5.125 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1Cl 520945213 PHNDMTAEUKZCIB-IRLDBZIGSA-N 496.419 5.941 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 521733367 PXRLFRUECWDVRF-UHFFFAOYSA-N 486.553 5.333 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 524438652 OXPXYUWKONMSPS-IBGZPJMESA-N 483.572 5.612 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591037202 MLAPIGLENMVQBB-YYWXWVFPSA-N 497.480 6.527 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nnn(-c4ccc5ncccc5c4)c3C)n2)cc1 596533226 AJHUTUCJUMAMMM-FQEVSTJZSA-N 450.527 5.046 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N(Cc1ccco1)c1ccccc1C#N 603755094 QAPATQQQKIFBHX-UHFFFAOYSA-N 479.462 5.144 30 20 JKED C[C@H](SCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 603758695 BHCBDEZAWORUHD-OXJNMPFZSA-N 460.990 6.305 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603763860 IXRHXGDBTMDMNK-UHFFFAOYSA-N 460.490 5.481 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)cc1 603831148 NJIZJYOUUBFYGN-UHFFFAOYSA-N 477.524 5.628 30 20 JKED CSc1ccc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 603838905 SJCFOZJZFMQYMY-AWEZNQCLSA-N 464.355 6.237 30 20 JKED Cc1ccc(Cc2sc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)nc2C)cc1 603974367 PUDGTOFJLPVOTO-UHFFFAOYSA-N 487.585 5.326 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)sc2c1CCCCCC2 603996447 QKXFSMAOBBPUOH-UHFFFAOYSA-N 471.626 5.923 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2Cl)cc1 604088433 VQEAEKBGRVUZCB-NRFANRHFSA-N 482.993 5.260 30 20 JKED Cc1c([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 604448394 IDKZVQSXIDQFPF-GOSISDBHSA-N 470.573 5.975 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccccc3-c3nc4ccccc4s3)CC2)nc1 608992684 JRUKZJBGZNDBQA-UHFFFAOYSA-N 454.559 5.020 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1SC 609140521 IDRIPACNTUIJQQ-LLVKDONJSA-N 467.450 5.444 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)C2)c1 609173740 WVHFUXQUWVJARA-LEAFIULHSA-N 481.596 5.116 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 609370890 GLBKIKZZVNMTJW-OAHLLOKOSA-N 495.029 5.811 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 609427793 LVSZVEXMXHTFGE-AWEZNQCLSA-N 454.552 5.110 30 20 JKED C=CCn1c(SCC(=O)Nc2cccnc2N2CCCC2)nnc1-c1ccc(Cl)cc1Cl 611860956 QNQFWUVKFFFEDC-UHFFFAOYSA-N 489.432 5.164 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(OC)cc1 613932695 JQNZUVPMUYZBBZ-UHFFFAOYSA-N 477.417 5.197 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1cccc(C)c1 617941546 XZVASHMWNRYMCT-HXUWFJFHSA-N 472.618 5.361 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)N1CCC[C@H](C)C1)C(C)C 639394076 AFIKVFBGBIBYTG-LAUBAEHRSA-N 463.047 5.072 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 642252177 SGOOOMIEGVGUHL-RUZDIDTESA-N 470.598 5.536 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC[C@H](C)OC)c1 726399263 NASRJISSLKREGK-MHECFPHRSA-N 491.613 5.234 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2F)c1 726412033 LQMPCHLLSVFGJC-QHCPKHFHSA-N 475.520 5.107 30 20 JKED N#CCOc1ccc(CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 727677887 WMKKZCXREWGLCO-HKWRFOASSA-N 484.537 5.354 30 20 JKED CC(C)N1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C\c2ccc(O[C@H](C)C#N)cc2)C1 728694706 GLAQIDOQJLMDPD-XXLCOEGESA-N 455.558 5.028 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728777820 PNUZVTPAVWNHGB-JOCHJYFZSA-N 483.037 5.919 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccn1 730523620 FJEQRWJYGFMBMZ-JOCHJYFZSA-N 480.540 5.083 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)cc1F 730535090 JRUMQYZXTTZYHF-GOSISDBHSA-N 476.371 5.019 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 730567210 OVQSFRNVYRFBDT-UHFFFAOYSA-N 455.996 5.422 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cocn3)C2=O)c1 730711454 FRLBIRWRJRVVOR-NRFANRHFSA-N 482.993 5.414 30 20 JKED Cc1ccc2c(c1)[C@H](N1C(=O)[C@@H](CC(=O)Nc3cnccn3)SC1=Nc1ccccc1Cl)CC2 730713799 BACKNJPLNATEBP-NHCUHLMSSA-N 492.004 5.086 30 20 JKED Cc1cccc2sc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(Cl)c12 731071115 LPNWNFGZBUWZTF-AWEZNQCLSA-N 458.992 6.053 30 20 JKED Cc1sc(NC(=O)C(C)C)c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1C 731080134 IERKHAGHRBHRJY-CQSZACIVSA-N 473.620 5.149 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(F)(F)F)c1 731303919 DXHPOLXDCTUOCI-LJQANCHMSA-N 490.507 5.065 30 20 JKED C=CCc1cc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1OC 731346716 RCWOXMVYKNTUHZ-UHFFFAOYSA-N 463.405 5.134 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 731400605 RCSSMZQQVGMKDP-DYXWJJEUSA-N 472.655 5.724 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 743525002 OFAXCGIWLFELMX-DPLHUUCSSA-N 494.636 5.030 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(SC(F)(F)F)cc2)ccc1S(=O)(=O)C(F)F 747066849 PXTZDHIEJIDLCM-YWEYNIOJSA-N 452.422 5.200 30 20 JKED COc1ccc(/C=C(\C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)cc1OCCCC#N 747361216 HMKXXBAKAUIYCO-QJOMJCCJSA-N 498.535 5.054 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cscn2)cc1 747600325 POTMNYNPKGXGJA-IBGZPJMESA-N 471.007 5.265 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 749338264 NMXQPCZXJVHIBG-KRWDZBQOSA-N 483.977 5.529 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl 782018546 GLTSRABCGXZYEQ-UHFFFAOYSA-N 453.496 5.016 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CC(F)(F)F)C2=O)c1 799209974 KLSWJHUMFRUPBD-NRFANRHFSA-N 485.531 5.979 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2sc(C)c(C)c2c1=O 802514528 IILOYUOLKBYVDT-UHFFFAOYSA-N 491.663 6.182 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1 838551921 JVMFYTAZUFBJAH-OAHLLOKOSA-N 477.842 5.141 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 873729840 LYYHNFIOLQBQJT-QFIPXVFZSA-N 494.016 5.473 30 20 JKED Cc1sc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)c(C#N)c1C 893331336 XHTJNVKPQOQPDT-UHFFFAOYSA-N 486.018 5.284 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 915863189 UZELDROXFPJRIF-DEOSSOPVSA-N 451.551 5.586 30 20 JKED COc1cc(/C=C/C(=O)c2cccs2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916137033 ITNRXUPNIHGXDN-CSKARUKUSA-N 461.461 5.689 30 20 JKED O=C(O)C(=O)/C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2ccccc2n1 916138235 ACOAHXKNXWLSSK-HMMYKYKNSA-N 456.885 5.335 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCc2ccccn2)C1=O)Nc1ccccc1 916204851 IVBYLBWDVAZTBE-OAQYLSRUSA-N 482.968 5.077 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2ccco2)C1=O 916207748 JWGKTMYDURVBNN-JOCHJYFZSA-N 463.559 5.066 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCc3ccccn3)C2=O)cc1 916209696 QNTUTEGTNJVRLN-QFIPXVFZSA-N 479.005 5.246 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 916211941 SEHZYXYSJQZCIV-HXUWFJFHSA-N 485.396 5.549 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OCC)cc1 916213375 BTMHORTVKOIJSO-IBGZPJMESA-N 479.524 5.474 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2Cc2ccco2)cc1 916214861 PXRQWUASFGWSGH-NRFANRHFSA-N 499.976 5.111 30 20 JKED Sc1nnc(-c2ccccc2Br)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 916345979 JQSNJCZOHPSSIJ-UHFFFAOYSA-N 476.812 5.655 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 916692396 CWXFJBJJIWHYKN-XSMVLQQNSA-N 497.020 5.064 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1cccc2cccc(Cl)c12 916903424 NUEYIEDYPCPCAR-LJQANCHMSA-N 450.991 6.058 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1)c1ccccc1 916906375 QIICVISUJOILAX-RDPSFJRHSA-N 477.520 5.975 30 20 JKED Cc1ccc(CN2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 916997587 XEPWLQPPYWAMKB-VQIMIIECSA-N 484.408 5.650 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 917036039 IDSOBTFVESKYSY-NOZRDPDXSA-N 479.001 5.196 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2[nH]c(-c3ccccc3)nc2C)cs1 917560684 VUIHMZUKEQAPDI-RAXLEYEMSA-N 462.962 6.076 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 917671363 WHVZYWZLCFRMNE-JOCHJYFZSA-N 494.020 5.216 30 20 JKED N#Cc1c(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)sc2c1CCCCCC2 917782948 KDRWEDORNTXOEG-UHFFFAOYSA-N 470.645 5.159 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COc2c(F)c(F)c(F)c(F)c2F)cs1 920071742 PDLPBEHNDXLTKW-UHFFFAOYSA-N 482.352 6.121 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccc(F)c(F)c2)C1=O 920353082 AIIMMAYEQHHZBX-QHCPKHFHSA-N 495.551 5.442 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cc(C)on2)C1=O 920353203 CXRWWJSBESDUNR-JOCHJYFZSA-N 496.564 5.071 30 20 JKED Cc1c(O)nc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc1-c1ccccc1 1459029331 UNWFVFOEVAACDE-HNNXBMFYSA-N 450.589 5.140 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3ccccc3)c(F)c1)C2 1779271129 JCSAFEVUVPNJTD-FHFHAPQWSA-N 490.619 5.389 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc5ncoc5c4)CCC3)cc2)cc1 1785796365 ZPPUPGFDWPPTSC-UHFFFAOYSA-N 464.525 5.080 30 20 JKED Cc1nc(-c2ccccn2)sc1C(=O)NC1(c2ccc(NC(=O)[C@@H](S)C(C)C)cc2)CCC1 1786391761 SODZXZRQITZPKD-FQEVSTJZSA-N 480.659 5.216 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CC(F)(F)F)cc3)CCC2)ccc1Br 1787876483 KAMHBNRYQNWGMP-UHFFFAOYSA-N 480.284 5.021 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)Nc3ccc(C4(NC(=O)CC#N)CCC4)cc3)c2c1 1788338067 PMVKPUZACVSYLY-UHFFFAOYSA-N 459.546 5.301 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2)CCC1 1788684149 DRYRGLOPSGURGO-UHFFFAOYSA-N 478.643 5.180 30 20 JKED Cc1nc2ccccn2c1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083874 OMMNSIBAHQQVCU-UHFFFAOYSA-N 483.959 5.229 30 20 JKED CC(C)n1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)n1 1790167684 SZTIWOYUZXYAGQ-IBGZPJMESA-N 455.562 5.153 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cccc4ccoc34)cc2)CCC1 1790952493 JOYYTNJKDCFQLT-VAWYXSNFSA-N 470.550 5.681 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)[S@@](=O)c4ccccc4)cc3)CCC2)c1 1791061781 BZVUKMAAATYGSK-FHJNJFCGSA-N 499.636 5.258 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3OC)CCC2)cc1)C(F)(F)F 1791305379 BOMLMSHRKBOHDK-UHFFFAOYSA-N 452.860 5.215 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)Cc3ccccc3)CCC2)cc1 1791589738 SPWOFXHPWWFZNP-JOCHJYFZSA-N 491.632 5.080 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)CCn3nc(C)cc3C)cc2)CCC1)c1ccccc1 1791783133 MHTRDZQGZYNFLA-MHZLTWQESA-N 482.628 5.221 30 20 JKED CCc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123366 WJDXKKLZNASXBS-IBGZPJMESA-N 452.558 5.333 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cnc5cccc(Cl)c5c4)CCC3)cc2)CCC1 1792233329 DYMQRPMJXGHVJA-UHFFFAOYSA-N 458.949 5.330 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)c(F)cc3nc1Cl)C2 1798334324 TVVALDVVKJDYOI-XMTFNYHQSA-N 473.951 5.187 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OC)ccc1NC(=O)OC(C)(C)C)C2 1798339735 BCLZRMDYKJQNEW-XAPVIXHLSA-N 497.636 5.062 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[C@@H]2c2cccnc2)C1 1802406115 LIZJJDSNWNVVFB-IEZKXTBUSA-N 466.025 5.147 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)[C@H]1c1cccnc1 1802501190 IQEVWWLOIXAFRD-UTRDGYRGSA-N 482.024 5.152 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCC(=O)OCc1ccccc1)C2 1802632849 SOXCBBWYOGIEBM-LGKQTMLJSA-N 494.676 5.292 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccc(OC)cc4)on3)CC2)C1 1804858379 BDRQGBBEODWTFJ-UHFFFAOYSA-N 479.621 5.187 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1806413297 JBGNGDGPCITCPE-XCZPVHLTSA-N 469.629 5.476 30 20 JKED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CCCCCCCCc3ccccc3)[C@@H]2c2cccnc2)CC1 1806857063 HUDLUEDOHLNWGW-XTEPFMGCSA-N 486.660 5.365 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1808146944 DLMLUVYNTGSSQJ-GSLIJJQTSA-N 487.644 5.273 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809440532 GAMKSSZUWWEACD-UQNRQAKVSA-N 499.036 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)C2)CC1 1810441146 RSSMFIZNSFFNHW-VWLOTQADSA-N 496.655 5.843 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)ccc2F)[C@@H]1c1cccnc1)c1ccccc1 1810444723 TYYHIGJAWCWSIH-PNIUZAESSA-N 483.587 5.046 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c1Cl 1811421443 ZUVXJLWBUINLRZ-GAJHUEQPSA-N 497.357 5.033 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)cc12 1811742971 LJRKSSWRHOHCBL-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1812113382 BTHFEZBOFQTARF-NBGIEHNGSA-N 491.035 5.595 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)[nH]n1 1814443534 ZDFFBHTVVGARHL-HXUWFJFHSA-N 464.566 5.463 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1)c1ccccc1 1815020111 JQRUVVNNDAOVFI-GGAORHGYSA-N 482.575 5.425 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)[nH]n3)c[nH]2)cc1 1816101476 HRSUSPGDKBRNSV-VWLOTQADSA-N 478.556 5.205 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c(O)n1 1816241335 CYKUAMQHGOVWFM-XMMPIXPASA-N 485.588 5.126 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)[C@H](C)CC)n[nH]1)C(F)(F)F 1816849124 LVRTWZMMVJDFLK-QFIXIFRTSA-N 462.516 5.350 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nn(CC)c3ccccc23)n[nH]1 1817752050 VWDCBKZIORTVPA-OAQYLSRUSA-N 462.598 5.078 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1 1818919763 HSEFFOPMKNJBBN-JXFKEZNVSA-N 485.426 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1819557336 HWFNTBJLODXOLE-JNCYCUAHSA-N 465.554 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(C(F)(F)F)coc1C)CC2 1819599723 KYCZFIHPWPXIMO-UONOGXRCSA-N 467.513 5.058 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1820977743 WYEAFFPLNXGFII-CJFMBICVSA-N 489.620 5.297 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)cc1 1821028826 MQNMMLXPYYYVKH-JOCHJYFZSA-N 497.933 5.152 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)Oc1ccccc1 1821280502 VXVDKOLESXVRTQ-GAJHUEQPSA-N 491.979 5.098 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)[nH]n1)c1ccc(O)cc1 1822468609 CCPXWDOOLXXQDC-POHJQOBCSA-N 496.611 5.108 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)[nH]n1 1822583007 AOXHBUHRGXVYSL-YLZCUGDYSA-N 489.439 5.133 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3c(F)ccc(F)c3F)[nH]n2)c1 1823210466 FDHIVBTXPADKIT-IVZQSRNASA-N 495.505 5.003 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823210531 CUVXWQROHBVBRS-KKSFZXQISA-N 476.968 5.013 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)c[nH]c2c1 1823565327 GQJABUMTTHZVKE-LEYIMRRPSA-N 492.583 5.285 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(F)cc3F)CC2)cc1 1823682075 QPSYMYVYMCJQKC-QDBZKISHSA-N 491.582 5.102 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1Cl 1823686195 RCPAJSQOGICXCX-RUZDIDTESA-N 494.035 5.086 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3C)CC2)C1 1823699845 FYGGCHCXUTUFMU-SANMLTNESA-N 457.618 5.257 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCn2c(O)nc3ccccc32)CC1 1823753798 INTCFNAIUBOHKW-XMMPIXPASA-N 494.680 5.134 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1824141968 BEOXRSBDINLIEO-SANMLTNESA-N 463.622 5.178 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824448817 DKHDDZBKUWFFHW-QHCPKHFHSA-N 496.639 5.567 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2Cl)CC1 1824879500 BRRQQPKPLDKQKW-ISKFKSNPSA-N 461.021 5.410 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1824961241 MAVODTXNPHISLL-FQEVSTJZSA-N 489.003 5.511 30 20 JKED Cc1ccccc1NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1827006229 COFZAIRZMMWPLU-AREMUKBSSA-N 481.757 5.078 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)c1 1828607053 YACXPYGUBMCOBX-QHCPKHFHSA-N 475.589 5.459 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1828826635 JKZUNIYPOVXHOK-GGAORHGYSA-N 454.014 5.213 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1828830119 LJWDEFJWKFHHSO-RPBOFIJWSA-N 482.665 5.025 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c(C)noc2C)CC1)c1ccccc1 1829029848 GRSOZMQOJZYRDX-WUFINQPMSA-N 489.660 5.041 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1Cl 1829689843 SWPZQSZBHCHNCF-QFIPXVFZSA-N 470.400 5.412 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)CC2)c1Cl 1830513146 QPCPIHHUOQMMMB-JOCHJYFZSA-N 489.925 5.176 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3cccc4ccccc34)CC2)c1 1830714293 XZIOEOYPZPXGPC-MHZLTWQESA-N 499.586 5.163 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831061441 FSZLTXTUHNRFEF-QFIPXVFZSA-N 481.618 5.236 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)[C@H](C2CCOCC2)CN3)CC1 1831371254 WHQULGLLHBKZCB-JKJMAWGESA-N 493.692 5.068 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c(Cl)c1 1831483527 ZPGFSPYVOZEZPG-WYGBCJSASA-N 468.041 5.271 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)c1 1831748449 JWUUOXBFZOMZRG-COIATFDQSA-N 499.508 5.061 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1831851463 FFRILCSQDJZVHZ-MHZLTWQESA-N 483.656 5.851 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1832028366 RIDWBEBIMQKWMR-XMMPIXPASA-N 482.024 5.422 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1837685081 ZXUGIYQTURLTOF-WNCULLNHSA-N 482.709 5.807 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1847223438 KDKBKDYARPKETE-GOTSBHOMSA-N 460.540 5.535 30 20 JKED C[C@@](C#N)(NC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)C1CC1 9750499 FNEHTGWHEWEODC-DEOSSOPVSA-N 492.651 5.076 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 10173607 GDEFXQGGVQEICZ-UHFFFAOYSA-O 451.681 6.563 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(CO)c2)cc1 11114021 FJORKMPUVGXSBL-UHFFFAOYSA-O 487.617 5.955 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2scc(-c3cccs3)c2c1=O 11382858 KGAYEIUOJSOMFV-UHFFFAOYSA-N 469.613 5.112 30 20 JKED O=[N+]([O-])c1cc2c(cc1/C(O)=N/c1nnc(SCc3c(Cl)cccc3Cl)s1)OCCO2 20675948 VCBUYXVLCXYUFD-UHFFFAOYSA-N 499.357 5.453 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1Cl 22613570 BVUJMXMSAHQKIN-UHFFFAOYSA-N 477.417 5.197 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 22695193 QFNQFBYGKRDGCC-UHFFFAOYSA-O 466.360 6.172 30 20 JKED Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 23603623 VPMLNKSRXQZVIS-UHFFFAOYSA-O 454.619 5.869 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)nnc1-c1ccco1 45643403 RSNVRFGYPKLXNB-HXUWFJFHSA-N 473.558 5.096 30 20 JKED COc1cc(/C=C\C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)ccc1OCc1c(C)noc1C 205935321 FWSBMZMHLWQYTD-QBFSEMIESA-N 498.539 5.001 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1 255930263 CELWPZLICMQMCL-AWEZNQCLSA-N 463.390 5.469 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2ccc(Cl)cc2Cl)c1 255941739 VMPJEYYYBKAFDM-UHFFFAOYSA-N 484.408 5.568 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)n(Cc2ccco2)c1C 302598934 JZMBSPIYXWMHFR-INIZCTEOSA-N 475.574 5.078 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sccc2S(=O)(=O)C(F)F)cc1Cl 303319827 TXPSIQNZDDIZGS-OAHLLOKOSA-N 466.918 5.306 30 20 JKED Cc1ccc([C@H](NCC(=O)Nc2ccccc2SCC#N)c2ccc(F)cc2Cl)cc1 303419611 XXQJJVAZDICMEF-DEOSSOPVSA-N 453.970 5.721 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCCCC2)nc2sc(-c3ccccc3)c(C)c2c1=O 498572669 QCTFRELAYGCCOS-QGZVFWFLSA-N 453.633 5.113 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(C4CC4)n(-c4ccccc4Cl)n3)n2)cc1 501308226 IGOQXPIZXBXFSF-QGZVFWFLSA-N 475.961 5.420 30 20 JKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)Cc1cc(Br)ccc1F 502196472 QAADIDILKPTLRP-UHFFFAOYSA-N 492.389 6.057 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 505692595 WYFQBVZYGHYJIN-UHFFFAOYSA-N 485.521 5.393 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc[nH]3)cs2)nnc1-c1ccc(Cl)cc1Cl 507077319 KDTNJUGLWKTTLS-UHFFFAOYSA-N 491.429 5.620 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCC)[C@H](C)c2cc3ccccc3o2)cc1 507767331 OURDJJKTVKAQTD-GOSISDBHSA-N 455.580 5.244 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2)cc1 509853414 MFMZVHCORFVFOV-XMMPIXPASA-N 468.582 6.310 30 20 JKED CCc1ccc(C(=O)N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510052969 BYJOYJLAHAJAKO-VWLOTQADSA-N 487.003 5.548 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)s2)cc1 510242519 ZMPQZDNBEXOHEU-GOSISDBHSA-N 455.996 5.724 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(OC(F)F)c1 511403794 FFBFWGJPEDQBBL-KRWDZBQOSA-N 451.473 5.816 30 20 JKED C=CCN(C(=O)c1cc2ccccc2n1CC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516461098 PPWVXBIFHHZGGI-UHFFFAOYSA-N 465.600 5.021 30 20 JKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2cnn(C(C)C)c2n1 516714198 UHLQQEUOZHGHOB-IBGZPJMESA-N 454.559 5.621 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 516781423 MUOBUCUDEGEQER-UHFFFAOYSA-N 487.300 5.682 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 517460864 BVWALWKPXKASAA-HNNXBMFYSA-N 470.520 6.273 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NC12CC3CC(CC(C3)C1)C2 517461130 QQQSGHLWAZADKE-HIGJEIRPSA-N 451.558 5.597 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(NCc2ccccc2)s1 518654069 XECIFBQRTQSEAI-OAHLLOKOSA-N 455.634 5.133 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Br)cc3)cc2)c1 518729864 CZHSVHUDWYNSJF-QHCPKHFHSA-N 490.357 5.356 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 518753334 MRBBMEGJSKOKGB-DNVCBOLYSA-N 460.397 5.449 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1C 518897797 XEMAXLZAWSJIQW-OAQYLSRUSA-N 469.589 5.348 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 521054636 LKWLSAKWXSPMHG-UHFFFAOYSA-N 488.385 5.330 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cc1Cl 521432639 UCRJMKDVBQNIEX-AOYPEHQESA-N 492.982 5.330 30 20 JKED C=CCN(C(=O)c1ccc(C(=O)N(C)C)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 524455778 AGHQNNQIHCFZCI-UHFFFAOYSA-N 467.594 6.012 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 586177295 GEQOGORVBXOEBY-PQNYFRGHSA-N 462.356 5.770 30 20 JKED Cc1cccc(OCc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccc(F)cc3)o2)c1 589516628 NZKJOGXVBILPKK-UHFFFAOYSA-N 491.548 5.106 30 20 JKED Cc1ccc(-n2cnnc2SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(C)c1 589942215 YMIYGBUIZORYHJ-OAHLLOKOSA-N 451.621 5.063 30 20 JKED N#Cc1c(CCCNC(=O)c2sc3cccc(Cl)c3c2Cl)nn(-c2ccc(F)cc2)c1N 603609670 UQTPHQSDBPAJAO-UHFFFAOYSA-N 488.375 5.349 30 20 JKED COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2nc(C)c(SCC#N)s2)c1 603774962 NGUNRCSCRVVGAZ-UHFFFAOYSA-N 484.628 5.059 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 603831640 NWTLOPHMXRNJDY-UHFFFAOYSA-N 483.612 6.530 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cnn1-c1ccccn1 604027201 NGYNACHKKUHMIM-UHFFFAOYSA-N 457.921 5.960 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 608795544 CJAZLYHEBFQDET-NRFANRHFSA-N 494.551 5.185 30 20 JKED Cc1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nn1-c1ccc(F)cc1 609063271 UYSBLBTWNUBAOF-UHFFFAOYSA-N 461.884 5.071 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 609067176 VSPRSRZWAFFGAK-UHFFFAOYSA-N 484.299 5.294 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccc(Br)cc1 609073452 IAJMPTCSMFTKBP-XMMPIXPASA-N 492.373 5.106 30 20 JKED CSCC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nnc2ccccn12 609078513 VTXVXKITMAZTPL-QHCPKHFHSA-N 486.601 5.104 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2ccc(F)c(F)c2)n1 609389313 MFMAVGAFBMUKGY-AWEZNQCLSA-N 459.543 5.886 30 20 JKED C=CCN(C(=O)c1ccc(-n2cnnn2)c(C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 611788860 XQEIGMHIQAJAAO-UHFFFAOYSA-N 471.373 5.234 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618554992 BVIAORLPDKDTOH-HPENLJRUSA-N 482.309 5.668 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nnc1[C@@H]1COc2ccccc2O1 639395101 WYJAESLLBJOFOE-BJKOFHAPSA-N 490.629 5.221 30 20 JKED O=C(Nc1cccc(OCC(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642507666 SJYORKXNMADRQF-IAZYJMLFSA-N 452.317 5.659 30 20 JKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1)Cc1ccc(Cl)s1 674866936 QPWHLQXAJUNGRZ-UHFFFAOYSA-N 453.967 6.009 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1oc2ccccc2c1CSc1ncccn1 726320139 SZICFCDGIASVSD-HXUWFJFHSA-N 484.581 5.601 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 726392828 KICASKNGSYZECP-XMSQKQJNSA-N 471.598 5.136 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726405056 BNILLOODFDVSCJ-VGOFRKELSA-N 499.036 5.214 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C#N)c(Cl)c1 726408742 HUYMNFWJNXQARS-IBGZPJMESA-N 475.401 5.544 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1Cc1ccsc1)c1cccs1 726416140 NHXTXQUXXVCPPT-NDKFBNENSA-N 498.699 5.466 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2ccccc2F)C1=O 726420517 IMSLTGBIWUQTRK-NXBLHBGRSA-N 497.617 5.486 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2F)c1C 727252668 KMKCRJGBBXRXFO-QHCPKHFHSA-N 493.608 5.128 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccccc3Cl)n2)c1 727562721 DWKNNSWXKBJYNT-UHFFFAOYSA-N 453.951 5.184 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)c12 727918621 MMPJOIYFNUPYJL-UHFFFAOYSA-N 492.919 5.363 30 20 JKED N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 728348595 PFLDGKXXTWLMMA-OAHLLOKOSA-N 487.170 5.323 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 728423324 RGIRNBIHHQVNAE-AOMKIAJQSA-N 489.988 5.328 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1CC(F)(F)F 728423915 RJGFXCIQBFKNGT-KRWDZBQOSA-N 480.899 5.043 30 20 JKED C#Cc1cccc(N(CC)C(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)c1 728479132 KGHQVQFNTWTQFD-UHFFFAOYSA-N 463.320 5.442 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(CCCCC#N)C2=O)cc1Cl 728776792 FONTTXTXIZHJTM-JOCHJYFZSA-N 499.036 5.620 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C(=O)N1CCCCC#N 728780799 ZPEBTGKMOSVHOI-JOCHJYFZSA-N 493.589 5.120 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/[C@@H](C)c1cccs1 729146829 ZCYJJBBDEOMREQ-NMHZHZETSA-N 488.635 5.242 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2cccc(CO)c2)c1 729670303 NUOFZLAFMKEOIY-UHFFFAOYSA-O 495.621 5.144 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCC1)c1cccs1 730461471 CSBOBUCHAJSCBS-MCVQUHOISA-N 493.010 5.252 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731065433 GSKUHYPJKCINID-MRXNPFEDSA-N 497.020 5.391 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2Oc2ccccc2)cc1 745296440 GNXTXZWIUPJCCJ-SANMLTNESA-N 461.521 5.389 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1c(C)cccc1C 746695914 JENSLBLXSLWYBY-NRFANRHFSA-N 489.588 5.359 30 20 JKED COc1cccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)c1OC 747434857 ZHXBDPLXPUBWJZ-KETZHDHUSA-N 493.567 5.347 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 749182708 QMYHCIPHLAOGPV-INIZCTEOSA-N 474.374 5.174 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H](COCC(C)C)c2ccco2)C1=O 750917754 WSGOULBZZKQGPN-IEBWSBKVSA-N 498.432 5.068 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2cccc(F)c2)C1=O 837513138 ANJLJFPZXURCEA-QHCPKHFHSA-N 477.561 5.037 30 20 JKED Cc1ccc(/C=C\C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c(Br)c1 843433307 XKEWMZXWKSSTDE-KTKRTIGZSA-N 451.320 5.065 30 20 JKED C=C(Cl)CSc1nc(C)c(Cc2nc(C[C@@H](C)N(C)C(=O)OC(C)(C)C)no2)s1 904655030 JDDNSRQFWRGSNZ-GFCCVEGCSA-N 459.037 5.068 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2sccc2C)C1=O 914552557 DGUUEIGXCDDYOC-OAQYLSRUSA-N 497.617 5.673 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CCCCCn3c(S)nc4ccccc4c3=O)c2)c1 915302161 XTJQZEBJEXUJAO-UHFFFAOYSA-N 498.608 5.335 30 20 JKED O=C(Nc1ccc(-c2ccccc2)cc1F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 915780789 GDOWYCAXLNTUGJ-HUUCEWRRSA-N 476.392 5.457 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2C)cc1OC 916155652 QDJHABLMFDFFEK-XYOKQWHBSA-N 465.933 5.579 30 20 JKED CCOC(=O)/C(=C\c1cccnc1)C1=NN(Cc2ccccc2)C(=Nc2ccccc2OC)SC1 916156625 GBXIVPNKHATEGY-ZDDQXYSQSA-N 486.597 5.329 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(CC)cc3)N(Cc3ccccn3)C2=O)cc1 916213263 CKGPXZONCPOWNG-DEOSSOPVSA-N 488.613 5.203 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(OCC#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1 916411172 RUBGVWPEIHSPDD-XNMGPUDCSA-N 469.541 5.029 30 20 JKED Cn1c([C@H](C#N)C(=O)CSc2ncnc3scc(-c4ccccc4)c23)nc2ccccc21 916843922 SWQHAWWKTYEHBP-MRXNPFEDSA-N 455.568 5.214 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 916904019 ZITJFTJVYFOQPQ-HNNXBMFYSA-N 459.354 6.000 30 20 JKED Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)n1 916904356 AYKZRQDVQHDXIQ-QHCPKHFHSA-N 450.498 5.243 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)Nc1ccccc1Cl 916904966 GWCQYRYFWGYMRT-HNNXBMFYSA-N 474.767 5.116 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1 916915132 DPAQBHXPDKKQPK-QHCPKHFHSA-N 450.494 5.389 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)cc1Cl 916937029 CSJJGBKPCNMWAQ-YPLUBFQTSA-N 454.910 5.577 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 916977010 ZTPQACNTZLKUBF-SJLPKXTDSA-N 455.992 5.396 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043800 OTSJXDKXLXRJFB-GOSISDBHSA-N 454.477 5.537 30 20 JKED COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 917328788 WYSCGNGQCFRPHC-HHHXNRCGSA-N 496.519 5.584 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(Oc3ccc(F)cc3F)CC2)c1=S 917467875 OYKAURIBYMZBQX-UHFFFAOYSA-N 460.525 5.185 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccsc2)C1=O 917664347 GUZGWWBNMNQLNB-OAQYLSRUSA-N 465.600 5.226 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)s2)cc1 917684896 QWENMUYHZWNXST-NRFANRHFSA-N 465.600 5.226 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCc1ccccc1 917702356 FNTBKEICZCKHCX-XMMPIXPASA-N 486.572 5.290 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccccc2SCc2ccco2)c1 918165054 JVRMVXFMUTWRCA-SOYKGTTHSA-N 497.642 5.417 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)c1C 918832997 GKIFYBARTXBDEY-JWGURIENSA-N 462.546 5.535 30 20 JKED N#Cc1ccc(CSCC(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 919207782 JZKWXHADFRGDTI-UHFFFAOYSA-N 478.184 5.587 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)Nc2cc(C#N)ccc2OCC)c1=S 919895346 DLDVHKHMHMYIJV-UHFFFAOYSA-N 484.025 5.834 30 20 JKED O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 920064182 BHXJVLQWPHSPOJ-FLIBITNWSA-N 466.609 5.246 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc3c(c2)CCC3)n1 920175717 KTKXTVONFHKPBS-DEOSSOPVSA-N 488.588 5.178 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 920353090 AMYOGAHPWKUSSZ-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2c(C)noc2C)cc1 920356309 SADATRWJZUTBDH-QFIPXVFZSA-N 497.020 5.722 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2cccc(C(C)C)c2)no1 920358822 BXXHIUMACDPATI-QFIPXVFZSA-N 498.555 5.545 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1cccc(OCc2ccccc2F)c1 920364228 RZFBJFZGPCMMRY-UHFFFAOYSA-N 469.428 5.096 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3COc3cc(C)ccc3C(C)C)cs2)cc1 920369068 HTMOTLKWOCCJBR-UHFFFAOYSA-N 493.658 5.804 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)OCc2nnc(-c3ccc(Br)s3)o2)c1 920416775 WZMFKRGQHHIGDE-UHFFFAOYSA-N 496.342 5.368 30 20 JKED Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)cc1C 920782991 IRGSNIUJTHCYIP-UPIHBEMDSA-N 482.650 5.265 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1OC 920806456 LRURPRMKHIEUIM-HNNXBMFYSA-N 497.548 5.648 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2ccc(C)cc2)C1 1777756662 PIYCLAFZKBXYPT-FYBSXPHGSA-N 489.660 5.177 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)cc1 1785794937 IZKPARYIHQAQAU-UHFFFAOYSA-N 493.394 5.641 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)cc2)CCC1 1786632138 VPEYJARYURAYBI-RUZDIDTESA-N 489.660 5.016 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cccc(Br)c5[nH]4)cc3)CCC2)C1 1789329065 YJHXKOXOWHQCGV-UHFFFAOYSA-N 478.390 5.644 30 20 JKED Cc1nc[nH]c1CSCC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508008 AAJTVCWRBAOEKZ-UHFFFAOYSA-N 496.753 5.137 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CCC2)cc1 1789626490 RTKTXWIYMADENW-GOSISDBHSA-N 475.589 5.146 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4Cl)cc3)CCC2)c(Cl)c1 1789730909 PKZXKWSVXLORPU-UHFFFAOYSA-N 465.340 5.322 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1790566939 FSPFAPKHJYDQKX-INIZCTEOSA-N 466.969 5.370 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1 1791320682 BGWBOTDTHSJRDW-AHSLHFTMSA-N 462.615 5.447 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)CN4)CCC2)cc1 1791583159 RXEOTETZRCRDDG-AREMUKBSSA-N 485.628 5.174 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)c1 1792127192 SNKOPXISVAWRJQ-IBGZPJMESA-N 480.543 5.315 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(Cl)cc1F)C2 1798421036 DMWMAFLWEAQDDC-BJWYYQGGSA-N 483.487 5.435 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)C2)c1ccccc1 1798553681 QQJRKYPKIGPDOD-DLDWUFQQSA-N 474.567 5.191 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](F)c4cccc(F)c4)c2)C3)cc1 1799669033 BHFQPGOIJJJCEK-XUJYPJAKSA-N 485.534 5.322 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cccc4s2)C3)c(Cl)c1 1800690678 UKROAUHPMNEFSR-MUJYYYPQSA-N 484.408 5.645 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1802493941 ZTKDZUJKRGINBF-WTWHUHDWSA-N 451.636 5.245 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1802498426 BNGLFWSPGVIOLE-GCJKJVERSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCc1ccnc(-c2cc(C)ccn2)c1 1802725893 HQWWAZMHQIYKRX-QEIWAGNOSA-N 488.676 5.405 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)oc2ccccc12 1802963335 OAFFBDMYYLGKFZ-AJTFRIOCSA-N 497.982 5.161 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(CCCCC)cc3)[C@H]2c2cccnc2)C1 1802995619 UGERYCOUNBQNIT-VHBPULDVSA-N 471.645 5.500 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803229117 UKKHHYRMFIHYCY-ZRIRBKMQSA-N 494.079 5.949 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(F)CCCCC1(F)F)C2 1803866736 KATJNKOCUKRYKV-YYQBIWNASA-N 480.424 5.014 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1806454165 OLFVDZNYLLMGSL-OCDVNBFTSA-N 494.639 5.297 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccnc1 1807154574 ZHEFGVBVCOXUMS-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1808887453 CDSVBPPPGZARJB-BFLUCZKCSA-N 451.655 5.462 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1809201842 TWDPNEJGRQCRQY-XUZZJYLKSA-N 477.605 5.523 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1810171099 DQURISZQXSIDRS-HFASVGIHSA-N 494.639 5.540 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810590056 DKDRAMICJSFCGO-KNQAVFIVSA-N 491.966 5.053 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1811427885 RDLCVEFATWTVIQ-HLADLETHSA-N 492.623 5.333 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1811859244 UTNDACJNPLAFAL-NAKRPHOHSA-N 486.660 5.160 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1812147235 AOCZCUKVYQUJNM-SHQCIBLASA-N 487.676 5.199 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812301958 MKDFWAVSNINNJQ-IBVKSMDESA-N 485.609 5.220 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c1Cl 1813879267 OSQFPVRTALMOAZ-WXVAWEFUSA-N 499.014 5.119 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1813944045 PGMRYVWFMCGSDX-LYHRCORUSA-N 473.951 5.101 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1813958206 BGJJCYBNEVJMJB-ZEQKJWHPSA-N 488.632 5.052 30 20 JKED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@@H]2c2cccnc2)CCC1 1814050349 CXLNFEUSBOFFJG-HYBUGGRVSA-N 488.975 5.008 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1815207983 QPOAJBFXMZXZGY-VWLOTQADSA-N 472.589 5.365 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2scnc2C(F)(F)F)n[nH]1 1816629343 MGZIXZKDBQTRQS-AWEZNQCLSA-N 469.533 5.183 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)c1 1818117762 CILCWEFXIUPFQR-IHHMQQGQSA-N 482.993 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)sc2C1 1818647519 OUUZNNPRLYSPNP-QGKOQGRUSA-N 490.629 5.027 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cc[nH]n3)n3ccccc23)n[nH]1 1818973129 NSZWSNWMYNNETE-YADARESESA-N 497.603 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)[nH]n1 1819306977 KWBMEZDIVYLKGM-CDMIOBSGSA-N 452.521 5.088 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1819309036 KQZAZRUYNPQHHE-KKSFZXQISA-N 465.985 5.619 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1819309402 UIZNVADDLJEFRP-ICSRJNTNSA-N 493.589 5.607 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4c(ccc5ncccc54)s3)n[nH]2)C1 1820093879 RLXZCWKWJJNWGE-OAQYLSRUSA-N 471.586 5.445 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)n[nH]1 1820668793 GTYVZTONNJFDOF-UIOOFZCWSA-N 489.664 5.225 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)n[nH]2)c1 1821048556 LQFUXHMWCLCWHK-AREMUKBSSA-N 491.551 5.693 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)s1 1821182393 QBNCRGHSXGITMA-HXUWFJFHSA-N 475.618 5.454 30 20 JKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)CC1 1822227562 QFIVFTSKUYSSHK-DBYOASNMSA-N 461.610 5.559 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1 1822281941 FWMNUBXTUITVNA-FQEVSTJZSA-N 476.593 5.245 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)[nH]n1 1822393073 IKWPPVIWEVYODC-XMMPIXPASA-N 472.589 5.216 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)CC1 1824047666 WJKWJDMUOIZUHL-IAPPQJPRSA-N 473.661 5.556 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1 1824143931 TWIHXKJAJMVYKT-QFIPXVFZSA-N 463.544 5.102 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1824540430 IFEYQSPEMJTBKA-WBVHZDCISA-N 463.496 5.243 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1826692557 SPWBCCGHDXORFP-QGZVFWFLSA-N 473.898 5.035 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827362804 KVIPKBLSQRGMHX-MHZLTWQESA-N 467.613 5.711 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1)c1cccs1 1827409738 YBYCVKZVJFXPKP-OVKVCFKUSA-N 482.627 5.228 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(F)c(F)c2)CC1 1828822754 ALOFBNYPASIVRN-DHLKQENFSA-N 458.593 5.286 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c(C)cc2OC)CC1 1828826969 GFJNJFYEATXEOS-ILBGXUMGSA-N 452.639 5.314 30 20 JKED CCSc1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828903423 IGRXPUCNDKNUCN-DEOSSOPVSA-N 499.797 5.478 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1829180753 NOKXGDXNNXFKSR-JOCHJYFZSA-N 499.442 5.126 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829597988 MMZGYXLBSOFBEJ-VWLOTQADSA-N 487.669 5.933 30 20 JKED Cc1nc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)c2s1 1829954802 OHTSIJHOADMOIR-DEOSSOPVSA-N 472.614 5.024 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c4ccccc4n4ccsc34)CC2)cc1 1830015100 HZLNJIVWNHJAEW-XMMPIXPASA-N 496.636 5.573 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830604071 KLHHSHAHPYNOCQ-ISKFKSNPSA-N 473.057 5.740 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)cc1 1830607723 HJJGDTUFLOVVCI-AREMUKBSSA-N 472.633 5.021 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721906 SRVIUSGMJRKOHW-XUZZJYLKSA-N 454.014 5.213 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831854434 BBSPWJICMMXMMT-HSZRJFAPSA-N 475.460 5.448 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)n1 1832634958 YUHPRNHAZNJABI-KMRXNPHXSA-N 486.660 5.192 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3OC(F)F)CC2)c1 1832678514 QHUSFUFRZBANLG-CYFREDJKSA-N 495.570 5.462 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)c3cccs3)CC2)cc1C#N 1832704232 JOBBEYZSHIXNOW-GBXCKJPGSA-N 493.673 5.444 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)CC1)c1ccccc1 1838417394 BDLATVVLJKBOAT-RGODFAACSA-N 478.677 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CC1 1838423948 VKPRZBKYTBQYLO-UHFFFAOYSA-N 499.454 5.737 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cc(C)cc(C#N)c4)CC3)CC2)CC1 1838690190 NKDSBUSSSXIJDR-HCGLCNNCSA-N 479.665 5.085 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)C1 1844675557 DBLNNIUZDURWDE-UHFFFAOYSA-N 455.602 5.416 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)c1C 10168161 VWWKYYNLTBFPGU-UHFFFAOYSA-O 455.647 6.009 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc3cccc(F)c3c2COc2ccccc2)n1 10635978 ASHRWXQKEWEQCI-MRXNPFEDSA-N 480.542 5.418 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1cccc2ccccc12 11126457 FGDWPLPIGSASEM-UHFFFAOYSA-O 453.631 6.666 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11263090 FXWYJXRPBYTAIW-UHFFFAOYSA-O 481.632 7.330 30 20 JKED O=C1COc2ccc(C(=O)/C=C/c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)cc2N1 18917850 XLFYYZNVOZYVKD-XBXARRHUSA-N 467.308 5.473 30 20 JKED CCCCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1c[nH]c2ccccc12 21458925 YHEIWZMUZQSIED-SFHVURJKSA-N 472.618 5.998 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C)c1 22048658 NBYBDOQTDAJCAH-QGZVFWFLSA-N 453.999 5.180 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccco2)c1 22069931 OGBKVZPEYFRYAH-FQEVSTJZSA-N 486.597 5.082 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccc(Br)cc1 22101181 RSSRHISYPHSVQI-HDMKZQKVSA-N 463.445 5.069 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)n(Cc2ccco2)c1C 22725083 IOOCJTYORYSMRL-UHFFFAOYSA-N 481.628 5.325 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1ccccc1Cl 22730349 KRUHDUMYTNTZCK-UHFFFAOYSA-O 474.831 6.003 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1Cl 23039554 KQYHJFMJYKQNHF-UHFFFAOYSA-N 486.952 5.315 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)cc2)cc1 28793666 WCHBWURXDOQSQW-UHFFFAOYSA-O 476.666 6.385 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1)c1ccccc1 71846243 NHCGACOMOOOEDC-UHFFFAOYSA-N 466.990 5.554 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 97543253 YFXQHBXODAZDPM-OAHLLOKOSA-N 473.882 6.249 30 20 JKED COc1ccc(-c2noc(CCCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)n2)cc1 108732723 NZHKUONQDVNEFL-UHFFFAOYSA-N 484.531 5.308 30 20 JKED C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S[C@@H](C)CC)cc2C(F)(F)F)ccc1F 109736157 DOBMXDPMEKPKDK-ZDUSSCGKSA-N 490.544 5.452 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 195720727 VZOCPQGJCGRZFR-QGZVFWFLSA-N 466.349 6.231 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1 213549991 GURZUANAAKJGJV-QLYXXIJNSA-N 496.639 5.090 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(C)=O 303235355 ZWSLSDCMBFUTKX-UKILVPOCSA-N 475.976 5.600 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)cc2F)c1 480967107 CRTWWBLSLWOUTP-AREMUKBSSA-N 489.522 5.402 30 20 JKED N#C[C@@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 481880744 WDJYLPBULMCYBX-HNNXBMFYSA-N 491.441 5.724 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 490004149 LYCPRJKMSPLMSA-UHFFFAOYSA-N 461.374 5.606 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 490654620 VANUUWIOIRTHBD-UHFFFAOYSA-N 467.934 5.568 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCc2cccc(C#N)c2)s1 499074619 IGNCCXJUDLYHIZ-UHFFFAOYSA-N 454.555 5.293 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1 499156019 FVOMIADRGXROLA-MRXNPFEDSA-N 468.022 5.583 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)s2)cc1 499314653 UONFCZRKLSCTJS-IRXDYDNUSA-N 471.405 5.207 30 20 JKED O=C(NCC1(c2ccc(F)cc2)CC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 500064577 JEVOGTOZFBNVFE-UHFFFAOYSA-N 471.376 5.511 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cn2)n1 500678672 LUVKLOKIKDGAHS-HSZRJFAPSA-N 470.964 5.515 30 20 JKED N#CCCN(C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1)c1cccc(Cl)c1 501946478 LVQICSUYIHFQKC-UHFFFAOYSA-N 495.029 5.199 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)c2cc(F)ccc2F)c1 507927432 KFBLSNPOJZQSTN-UHFFFAOYSA-N 476.932 5.276 30 20 JKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C 511337939 NYPGQEGATCNUNV-UHFFFAOYSA-N 456.546 5.051 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(-c4ccc(Cl)s4)n3)s2)cc1 512796405 HDBFSHZINLJDRW-UHFFFAOYSA-N 476.033 5.793 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F 515306608 IAVFJYPIYHCIBF-CYBMUJFWSA-N 450.461 5.408 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2csc(CC)n2)c1 516336792 OWNWCPRNMKKZTN-UHFFFAOYSA-N 490.050 5.012 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 516379129 FSUQSKWJYXKYON-HXUWFJFHSA-N 470.573 5.580 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)cc1 516530263 WYTAVGPTNSJKAJ-UHFFFAOYSA-N 491.616 6.341 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 517465040 SKOKWLBWXMWRND-SIKLNZKXSA-N 482.609 5.306 30 20 JKED C=CCOc1c(Br)cc(CNC[C@H](c2cccs2)N2CCCC2)cc1OC 517524428 CRHXWYYAAIKVJN-GOSISDBHSA-N 451.430 5.011 30 20 JKED CCN(C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](C)c1cc2ccccc2o1 517822048 AZCLGRRYGQMUFK-FQEVSTJZSA-N 481.552 5.626 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CCNC(=O)c3cc(F)ccc3Br)c2)cc1 517844590 UCRMOFSXOMICKN-UHFFFAOYSA-N 482.309 5.011 30 20 JKED N#CCCSc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 518123849 XYFJZNCQWKUMKM-UHFFFAOYSA-N 472.599 5.066 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(C(F)(F)F)cn1 519434027 KIDFASMONZOHPG-UHFFFAOYSA-N 465.444 5.856 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 519950003 VQJGHJHKROMYCN-QFIPXVFZSA-N 476.374 5.095 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)cc2)cc1 520656775 PYEPAFZVZQCSRU-UHFFFAOYSA-N 479.458 5.499 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 521055705 WIMKTUIZYYDPBB-VWLOTQADSA-N 457.961 5.288 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)cc1 523963544 QKRSJJWEXVWGBP-ZEQRLZLVSA-N 469.541 5.140 30 20 JKED CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCSc2ccc(Br)cc21 557581388 HGMFFOAHBGLBLM-KXBFYZLASA-N 490.492 6.792 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 561216206 YHZXWHZDTPLIRY-HXUWFJFHSA-N 491.657 5.197 30 20 JKED CCCN(CC(F)F)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 589330752 BHYYUDKKCKSTMU-UHFFFAOYSA-N 469.376 5.516 30 20 JKED Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)sc1SCC#N 603774991 PHMSAFDNRCSXIA-UHFFFAOYSA-N 476.992 6.032 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCN(c4nc5ccccc5s4)C3)c2)c1 603995430 CDGLSOJPPARMBF-HXUWFJFHSA-N 481.581 5.275 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 604179707 CNLUFYWYGJMXAH-NRFANRHFSA-N 479.605 6.316 30 20 JKED Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCCCC1 608796680 UZUNBQWJNACUNA-UHFFFAOYSA-N 468.557 5.011 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(CN4CCCC4=O)cc3)cc2Cl)c1 609080787 UMOHLJGKPKIQMH-UHFFFAOYSA-N 488.975 5.235 30 20 JKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 609108721 JQKGOOGUYCFDAB-HSZRJFAPSA-N 459.937 5.463 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)nnc1-c1ccc(OC)cc1 613932640 HYUPYADWLSUAJG-XMMPIXPASA-N 492.645 5.384 30 20 JKED O=C(Nc1ccc(OC(F)F)c2ncccc12)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 617936683 DMNCCCJDLOTVKF-NXEZZACHSA-N 471.348 5.867 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccccc1OC 617988731 MXVWWKQSMMZLPC-CQSZACIVSA-N 473.396 5.022 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 620304519 IVKDGBPNCZDKCX-NSHDSACASA-N 492.404 5.922 30 20 JKED O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642667417 FZJJMDPXCNOJRB-JYAVWHMHSA-N 465.369 6.044 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccoc1C 645079651 IPZMJJUIEBRQNI-GOSISDBHSA-N 450.564 5.456 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)nc2sc(C)c(C)c2c1=O 676373417 BUHKCEGQKWTTNL-FQEVSTJZSA-N 483.659 5.115 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C#N)c(Cl)c2)c(C)s1 726408758 IAPAWTHPXNOEOV-RBZFPXEDSA-N 487.050 5.251 30 20 JKED N#Cc1cccc(COc2cccc(CNC3CCN(c4ccc(OC(F)F)cc4)CC3)c2)c1 726608085 LPTJPXUGSBCUQH-UHFFFAOYSA-N 463.528 5.497 30 20 JKED COc1cc(C=NNCc2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 727060224 JQOFDMGXQJASIW-UHFFFAOYSA-N 493.432 5.133 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl 727655100 SVVVTNVMKSAXHH-WAVCKPEOSA-N 496.441 5.186 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 728124181 AFKIIHVIUCVKGB-UHFFFAOYSA-N 461.528 5.583 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccc(C)c(C)c2)n1 728420210 ARLOVYDFYXDEBB-DEOSSOPVSA-N 483.597 5.039 30 20 JKED O=C1/C(=C\c2ccc3ncccc3c2)CN(CC(F)(F)F)C/C1=C/c1ccc2ncccc2c1 730432985 AGOHUVRZZXNEOW-SJZPPUTKSA-N 459.471 5.697 30 20 JKED N#CCCSc1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 730982405 OWFRLCILYPFINU-UHFFFAOYSA-N 451.798 6.575 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 731076840 DNTPZKVPKWRRRL-FHLIZLRMSA-N 473.392 5.129 30 20 JKED C#CCN(C(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1)C1CCCCC1 743692156 MQIMBHZOWCCVRP-UHFFFAOYSA-N 471.022 5.129 30 20 JKED N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc2cc(C(F)(F)F)ccc2s1 747111375 FXDAUUDPZFGZOH-CYBMUJFWSA-N 479.530 6.141 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)ccc1OCC(F)(F)F 750933309 CMHUDKWBFLGVKC-UHFFFAOYSA-N 480.512 5.101 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CC(F)(F)F)C2=O)cc1 799218882 KTOFNTAZTGGFGQ-QGZVFWFLSA-N 485.915 5.261 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)Cc1ccco1 914692489 ZNWXUSGUGJAVKT-JTSKRJEESA-N 465.550 5.319 30 20 JKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915104060 JESADUCMPWUXNL-OAHLLOKOSA-N 470.476 5.549 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)cc1F 915116494 IDILFYSSAZSEBT-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 915577469 DTSYTTHVWRSPSW-CQSZACIVSA-N 467.934 5.018 30 20 JKED Cc1ncc(CO)c(/C=N\C[C@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)c1O 915979750 RULRFYMUAASCRU-RNBGMOGSSA-N 476.429 5.175 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 916277580 MGPCFYQULPHIAR-UHFFFAOYSA-N 470.533 5.116 30 20 JKED COc1c(Br)cc(Br)cc1C=NN1C(=O)c2cccc3cccc(c23)C1=O 916306206 PPIBJTZVWDTDNI-UHFFFAOYSA-N 488.135 5.004 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2cccs2)c1)c1ccc(Cl)cc1Cl 916314070 NGTYHXUUHPSBPE-UHFFFAOYSA-N 474.398 5.737 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OCC#N)c2)nnc1-c1ccc(Cl)cc1Cl 916411144 QZFUJVJYPYCHPD-UHFFFAOYSA-N 474.373 5.071 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2cc(C)c3cc(Cl)ccc3n2)cs1 916544000 NIUWYCIJRYDGPK-UHFFFAOYSA-N 470.385 6.437 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc2ccccc2n1 916849068 OKHPATVMPUDXAB-SFHVURJKSA-N 468.435 5.255 30 20 JKED CCCCCCNC(=O)[C@H](C#N)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 916875166 UIRSNWDWTRGTFE-HXUWFJFHSA-N 484.394 5.029 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 916884004 XWJMSAGEFTWOTG-JOCHJYFZSA-N 495.926 5.354 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c1 916897235 LEDAOEUBQUHLOT-KRWDZBQOSA-N 451.935 5.232 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3ccc(C)s3)cc2OC)cc1 917042728 DKTRAGZLUWDWND-SDQBBNPISA-N 451.544 5.377 30 20 JKED C=CCN1C(=O)N[C@H](c2cccc3c2OCCCO3)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 917375944 HMSLVZDDSYCQJX-OAQYLSRUSA-N 487.478 5.032 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2cccc(C(C)C)c2)cc1 917614488 WXWOSXYFFPIAQA-UHFFFAOYSA-O 474.650 6.136 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)c1 917671314 UEABKQCUKKXZBK-VWLOTQADSA-N 490.673 5.138 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cccs1 917707199 QMRHPFHGRXASHU-FQEVSTJZSA-N 481.002 5.434 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 918298833 DRKGHHKLXSXQEZ-JTHBVZDNSA-N 480.593 5.296 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 919665765 DUXKECXTJFBMRT-IBGZPJMESA-N 469.324 5.542 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(Br)c2)s1 920168261 JTNQWTLPNZVNIU-ACJLOTCBSA-N 492.464 5.180 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(C3CCCC3)C2=O)c1 920174343 BFSKTKONKQAJAZ-XMMPIXPASA-N 493.629 5.095 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 920357747 ZOSRBBGLXLNUII-HXUWFJFHSA-N 486.956 5.244 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc(-c2c(F)cccc2F)cs1 920804326 PSPFVJYXMXHNHE-AWEZNQCLSA-N 469.900 6.206 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 920804572 VUHCBJHJFVOZMY-LBPRGKRZSA-N 457.552 6.001 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(OC)c1 920870266 RSGFLWGUDIHXPI-MHECFPHRSA-N 491.613 5.091 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(F)cc3)n2)c1 926764463 LCKDLEYCXLCVSC-QGZVFWFLSA-N 451.523 5.058 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CCc1c(C)nc(O)c(C#N)c1C 1126034032 UTXQZQXFMQNNCG-AWEZNQCLSA-N 454.983 5.171 30 20 JKED CO[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C 1711570749 DBNSVRNNYMGTIC-MRXNPFEDSA-N 482.444 5.000 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1785842676 IDACCXHKMVTVEY-LYZGTLIUSA-N 495.664 5.370 30 20 JKED COc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1785976983 HLEXBGMHRARFJY-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1786366004 DUXOWFWCMWDWIU-UHFFFAOYSA-N 469.585 5.479 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)CC)CCC2)cc1 1786545267 WGAVNNKTERCSFU-RXVVDRJESA-N 457.615 5.026 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)nc3)cc2)CCC1)c1ccc(O)cc1 1786839721 PNWWQYSIORVHRK-RUZDIDTESA-N 495.623 5.360 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)[C@H](C4CCOCC4)CN5)cc3)CCC2)C1 1787948427 QMTMKWIDBLTTDI-SANMLTNESA-N 485.628 5.336 30 20 JKED CNc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)cc1 1788357487 PBEAMNDEVWJJEC-UHFFFAOYSA-N 493.489 5.075 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc3)CCC2)C1 1788525874 XFGVUHSSRMYXNQ-OAQYLSRUSA-N 469.626 5.026 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3nnsc3C3CC3)cc2)CCC1 1788800227 NSGHTVVKDHUGLT-UHFFFAOYSA-N 480.710 5.214 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1 1789257288 SGNSWQKVKQLHDL-UHFFFAOYSA-N 468.600 5.220 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)ccc1F 1790081884 NFGSQEOKDLQBBS-UHFFFAOYSA-N 462.912 5.116 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c(F)c4)cc3)CCC2)c1 1790653816 SETJYQCNESYTAQ-KRWDZBQOSA-N 457.505 5.220 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(N5CCCCC5)cc4)cc3)CCC2)CCC1 1790680666 MMBSSLCPSHGNSA-UHFFFAOYSA-N 456.590 5.118 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2)CCC1 1790682877 OLLXDHFNQNLXQZ-BUHFOSPRSA-N 496.592 5.121 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccc(F)cc4)CCC3)cc2)cc1 1790705098 JCPGSHUIZCJHDA-UHFFFAOYSA-N 471.532 5.109 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)ccc4F)CCC3)cc2)c(Cl)c1 1790767978 XIFKQLVGQQWGRJ-UHFFFAOYSA-N 463.896 5.118 30 20 JKED CC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1O 1790816541 GYYWVIGTCPEQHO-SFHVURJKSA-N 496.567 5.039 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1790974616 PWVURNYNPHWBPG-UHFFFAOYSA-N 489.616 5.304 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791301230 UYKGJJHRVWHTMY-HXUWFJFHSA-N 493.595 5.271 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)cc2)CCC1 1791503560 FWIWWVYCKCMVAN-DEOSSOPVSA-N 481.637 5.008 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3occc3NC(=O)OC(C)(C)C)CCC2)cc1 1791585564 GWUBDFYVNPSUIM-UHFFFAOYSA-N 465.550 5.178 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CCc3cncc(C(F)(F)F)c3)cc2)CCC1 1791772774 VSFPRPKWQRJOIH-UHFFFAOYSA-N 471.523 5.361 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)nc4)CCC3)cc2)c1 1792123017 YNWFBAQWBSHQIZ-KRWDZBQOSA-N 492.501 5.789 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccn5cncc45)CCC3)cc2)c1 1792124935 PEWBMZWSHKCVHL-LJQANCHMSA-N 463.541 5.023 30 20 JKED Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(C#N)cc2)c2ccccc12 1792483340 CRGJKGMKBXRACI-LGKQTMLJSA-N 479.624 5.224 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cccc(F)c3s2)c1 1797449727 SXZWKLATNUQPAS-KQLYMOGASA-N 461.562 5.233 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(-c4ccccc4)ccn3n1)C2 1798331613 RSKTXXOFXCPSNF-UHCVVMIDSA-N 468.601 5.022 30 20 JKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cc(F)ccc2OC)cc1Cl 1799319077 NMFJOZGZXKORDM-WKCHPHFGSA-N 482.983 5.210 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1 1799646123 PRVQICFJUIMDRZ-ACDBMABISA-N 495.423 5.161 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2F)[C@@H]1c1cccnc1 1802712785 YIPSCOXLOALEGN-GCJKJVERSA-N 457.977 5.186 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1805687884 VOLRPJURVKVYBL-KKCLFWLVSA-N 498.627 5.541 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(F)c(F)c3)CC2)[C@H]1c1cccnc1 1807337567 KOSFLIAGAOJHGB-GBXCKJPGSA-N 481.587 5.090 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1807963563 VGFCCRFQVYFRLW-URXFXBBRSA-N 493.705 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810502777 LODLAUUTZFENLK-URXFXBBRSA-N 487.566 5.341 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1810757270 QDZOZTISDJLKSO-GGAORHGYSA-N 487.522 5.068 30 20 JKED CC(C)(C)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811252792 XRWJYQUKWOWYIO-YTMVLYRLSA-N 479.624 5.237 30 20 JKED CC(C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1)c1ccc(F)cc1 1812959368 FDUPUCFDBRIWIC-RZDMPUFOSA-N 498.602 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)cc2Cl)[C@H]1c1cccnc1 1812980770 KFUDGAPJZNCGRE-LANNOVGDSA-N 482.024 5.152 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)[C@H]1c1cccnc1 1813060788 JSRUOVWOLWUABO-ZXRKZBAXSA-N 490.692 5.019 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1813227563 HAMUFIJSDUKITI-POURPWNDSA-N 473.661 5.256 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(Cl)c1 1813831269 VCODWMOAWGHCBS-BKMJKUGQSA-N 496.127 5.414 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 1813865582 GYDQSAHTYXIACQ-FCTLNWHPSA-N 488.591 5.495 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1813964562 ZKFLVIIGFJDUHA-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1814302513 CSCOXDNQGZXWFT-YIXXDRMTSA-N 491.582 5.393 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1815094570 UMGGBPPYFMZHIB-VSADUAAZSA-N 494.642 5.083 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(C)cc23)n[nH]1 1815791081 HOTLHZHRXVKWQV-DEOSSOPVSA-N 459.594 5.203 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(F)(F)F)n[nH]1 1816424880 HHQCFACDOZAVOD-SFHVURJKSA-N 463.504 5.122 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)nc3)n[nH]2)c1 1816495281 GUXCBSHFTDLNKR-MGPUTAFESA-N 496.493 5.070 30 20 JKED Cc1ccc(COCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1C 1818139268 GYIZNBJPMLVXLA-RLWLMLJZSA-N 499.615 5.176 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821180394 TWKJJEKXJLLGGQ-JXFKEZNVSA-N 479.631 5.024 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)c1 1821273636 PPJVDCRJLWVERB-NRFANRHFSA-N 491.910 5.440 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821385043 NYZWKTSEFCFUFZ-BTYIYWSLSA-N 451.958 5.129 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc4cccc(Cl)c4c3)n[nH]2)cc1 1821568814 AABQYHFNNCAJAC-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1821987509 APKIQXDPEWVBTA-JOCHJYFZSA-N 481.547 5.335 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(OC)cc2F)n[nH]1 1822255084 MZNGRIPKYWUHPU-YUAYGMJFSA-N 468.573 5.255 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1 1822394050 NRMDLEAGADIVNM-FQEVSTJZSA-N 461.393 5.145 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)Cc3ccccc3)[nH]n2)c1 1823216185 PVPWPTURQOHORV-FHAGJXEFSA-N 469.589 5.221 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(F)c3F)n[nH]2)c1 1823226106 QJIARVNDGPHMGC-SPLOXXLWSA-N 481.478 5.074 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2ccccc2C#N)n[nH]1 1823388240 IDODPCNXJZMCEE-JOCHJYFZSA-N 479.625 5.349 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(OCCCC(F)(F)F)cc4)sc3C2)C1 1823826700 IOXNVEVADDEGQQ-QGZVFWFLSA-N 493.551 5.056 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 1824143092 GRNNDHKXZFLCKE-QFIPXVFZSA-N 489.454 5.156 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1824501153 FTLKKNJHSHYTJP-QHCPKHFHSA-N 472.029 5.037 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccoc3)CC2)cc(C(F)(F)F)c1 1825055148 CYYJJUKYMPITRV-OIUIXCLQSA-N 485.506 5.117 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)c1Cl 1827985157 RPLZZWKHDZXSKX-SFHVURJKSA-N 460.361 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828098181 XLIXRGDIMRNAKN-QPPBQGQZSA-N 465.663 5.606 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1828400948 PZJRHIRKUIBPOA-ZNZIZOMTSA-N 476.020 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828829080 XPVFVWOZOYTRPO-RCZVLFRGSA-N 451.586 5.309 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)cc2Cl)CC1 1828829954 OHBIWQPMGMMMMX-ZJSXRUAMSA-N 459.030 5.350 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1828889141 NHTDMMGNWDGSCW-AZGAKELHSA-N 488.628 5.392 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2SCC)CC1 1829065259 XPBKNKRWMUCBGE-JOCHJYFZSA-N 457.684 5.419 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1829677911 USPKYKVQZYIVTC-GNMGOMLTSA-N 479.665 5.407 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)c1 1829679405 MWDPZAGMSWNXGY-AREMUKBSSA-N 494.035 5.086 30 20 JKED CO[C@@](C)(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1)c1cccc2ccccc12 1830158965 GCEYDGRKRZGWPC-WWPJHQMMSA-N 496.717 5.276 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830408197 IPSAUXCJAVUUNK-UPVQGACJSA-N 476.702 5.501 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830826277 AFYRIYDRSJNMKL-QHCPKHFHSA-N 472.054 5.041 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)s1 1831140546 UVLZBPRTEYOSTI-XMMPIXPASA-N 492.689 5.223 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831238562 YNABWEMURAAWMQ-XMSQKQJNSA-N 450.545 5.091 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 1831367323 HUEIITWDNQWBGW-HRAATJIYSA-N 465.407 5.034 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1831445821 JXSWGFMXIUZYIX-NEQMZLFVSA-N 456.533 5.277 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1831447167 YHHPAVKXPYBSLY-IBGZPJMESA-N 458.471 5.150 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c1Cl 1831482004 RDNIMTZGFXXJAA-HJBWUJCXSA-N 468.041 5.271 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1831695333 ICHRKBNMCVBTSU-SPEYYTFGSA-N 463.666 5.763 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1 1832087895 XGIIXIZIAMNCQO-AREMUKBSSA-N 451.655 5.019 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634336 PSSZQKXXICOAKU-KBMIEXCESA-N 479.571 5.447 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832708226 GVVSMTNXGCZOMP-JOCHJYFZSA-N 484.534 5.061 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1832800396 PDIWORKRCQPFTO-VABKMULXSA-N 475.555 5.160 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1832830091 YIYSEMLOWUOOHR-DHLKQENFSA-N 480.052 5.274 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c(Cl)c1 10178763 ASZVMBCUEFGJRK-UHFFFAOYSA-O 488.023 6.871 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)N(CCC#N)c1ccccc1 10212651 FJEVAHLCRLLAPF-LJQANCHMSA-N 471.561 5.501 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c(C#N)c1C 14596557 FVFQYVFBYPYSCX-UHFFFAOYSA-N 482.562 5.264 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nc2sc3c(c2c1=O)CCC3 23405252 YZEKGOIMIBERDC-LBPRGKRZSA-N 490.448 5.015 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@H]2c2ccc(OC)cc2OC)c1=S 23852165 RQCWVXYOMSSMDI-NRFANRHFSA-N 484.597 5.130 30 20 JKED C=CCn1c(SCc2cc(=O)n3ccc(C)cc3n2)nc2sc(-c3ccccc3)c(C)c2c1=O 25638463 MINMHRHEHJUWEI-UHFFFAOYSA-N 486.622 5.228 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccoc1C 26433785 GDGVGLBQMLPPPO-QFIPXVFZSA-N 464.616 5.400 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29955669 YYIZZCVLZOMBDH-QRQCRPRQSA-N 464.447 5.126 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 36332899 WIIWIKDRKHXIRV-UHFFFAOYSA-N 465.582 5.947 30 20 JKED Cc1sc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc1-c1ccc(F)cc1 43806741 HJIAIJVTMAWKAC-UHFFFAOYSA-N 477.521 5.232 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)C2CCCCC2)ccc1Cl 69147742 RLQUVRNZSYOWQS-UHFFFAOYSA-N 481.445 5.779 30 20 JKED N#CCCSc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 78669142 FQPFVYHOPGQJOS-QFIPXVFZSA-N 463.990 5.846 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c12 107831968 QVQPPHIDRLSVHS-UHFFFAOYSA-N 450.420 5.275 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1 110897697 UBZBRHHYZDRGEZ-UHFFFAOYSA-N 452.967 5.053 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(C)c(C)c3C#N)c2C#N)C1 218940358 BGEZLAWKOFFHOD-HNNXBMFYSA-N 453.637 5.170 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(N2CCC(C)CC2)nc1 409493833 ARAUVFLCDIXFPI-UHFFFAOYSA-N 475.406 5.117 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 409860112 GFJFMJSYLUUPKZ-UHFFFAOYSA-N 473.520 5.701 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cn4cc(Br)ccc4n3)cc2F)c1 481740505 KYZBPTWZTYAVFY-UHFFFAOYSA-N 494.324 5.008 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1 488026316 XJSPAXTWNIPSHI-UHFFFAOYSA-N 461.500 5.250 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)s1 500753467 JHRVBYVXMDECHI-HXUWFJFHSA-N 495.626 5.068 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)o1 503467672 JHEDUASEWXMXMV-UHFFFAOYSA-N 491.547 5.504 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 505674561 DPSCEOWANJXYBL-UHFFFAOYSA-N 496.420 5.955 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 507874985 SFEWABQNCPUQMB-UHFFFAOYSA-N 466.394 5.946 30 20 JKED COc1ccc(Cl)cc1CN(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510222694 MBRIGXOECQIAEM-UHFFFAOYSA-N 459.984 5.028 30 20 JKED COc1ccc(OC)c(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)c1 510900437 DIPPNSGYDGCOIF-UHFFFAOYSA-N 457.530 5.873 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 512030116 YOFSFDSFXKETGD-GOSISDBHSA-N 467.664 5.358 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2csc(-c3ccc(Br)cc3)n2)n1 514342779 LTUODZJKUDTWFG-UHFFFAOYSA-N 460.378 5.308 30 20 JKED N#CCc1ccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4ccc(CC#N)cc4)cc3)cc2)cc1 514561650 RWCWPVFYNXYMPL-UHFFFAOYSA-N 486.531 6.116 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Br)cc1F 515657063 UXSXOTHWFNIBQI-JOCHJYFZSA-N 472.745 5.431 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 516270327 RVSOYCJKSSUJAE-OAQYLSRUSA-N 474.549 5.429 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 516733577 RGELQXRAMHEHSR-MRXNPFEDSA-N 478.346 5.237 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCC1 517464544 XRVMMFONXBFEBV-NRFANRHFSA-N 475.536 5.697 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Br)cc1Cl 518133817 VCBVPHSPZJMCPM-ZDUSSCGKSA-N 469.857 6.369 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC(F)F 518255587 FXKOMJUZQIGKDG-UHFFFAOYSA-N 453.445 5.624 30 20 JKED C=CCN(C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)[C@@H](C)c1cccc(-n2cnnn2)c1 520916606 AFWRHCXKRFXWEQ-KRWDZBQOSA-N 499.600 5.242 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 521741284 ASWCTSIVTIXBGD-UUOWRZLLSA-N 491.588 5.125 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 521808485 HFXRNBLPMLJAGY-UHFFFAOYSA-N 474.605 5.024 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 522484302 CFLMTSIOZBHFJM-UHFFFAOYSA-N 457.467 5.959 30 20 JKED COc1cc(CN(C)C(=O)c2occc2COc2cccc(C#N)c2)ccc1OCc1ccccc1 523251919 PUWIKPGLFQKMSD-UHFFFAOYSA-N 482.536 5.590 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 523973051 FXISIHCEBXSECX-UHFFFAOYSA-N 494.551 5.344 30 20 JKED COc1ccc(C(=O)CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 524119783 FNTIPMSNWIUKHN-UHFFFAOYSA-N 478.932 5.409 30 20 JKED N#C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 524336385 SAZXQASDDVGUJR-HHHXNRCGSA-N 461.521 5.513 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)cc1Cl 524707532 VQPDGZXOFFTBCL-OAQYLSRUSA-N 470.916 5.019 30 20 JKED C=CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1cc(Br)ccc1F 561170955 YHYGOPAQIYCHDQ-INIZCTEOSA-N 476.415 5.609 30 20 JKED CS(=O)(=O)Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccccc12 588348889 FGLWEUGHGZZLFN-CYBMUJFWSA-N 478.473 5.096 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)nc2sccc2c1=O 588636295 LZACCMPLDJOWJI-NFBKMPQASA-N 478.639 5.212 30 20 JKED CCCCSc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 589943308 XSGDZRIPICTDQG-LBPRGKRZSA-N 452.696 5.609 30 20 JKED Cc1c(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1OCC(F)(F)F 590144474 HETCWADHRGGGGG-GDNZZTSVSA-N 466.344 5.967 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccc5ccccc5c4)o3)c2C#N)C1 603726684 RQCWFOFBQOZECO-HNNXBMFYSA-N 474.611 6.069 30 20 JKED N#Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)ccc1OCC(F)(F)F 603897357 BDIZQUWCRCLIIV-SFHVURJKSA-N 481.474 5.143 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c12 603995814 MHDPBPLVXAZLQC-UHFFFAOYSA-N 492.564 5.382 30 20 JKED CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C2 604084983 QSHYJENBPWPBJS-QHCPKHFHSA-N 458.949 5.544 30 20 JKED CN(CCOc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604164843 RTZMDQZCWRAXOB-JOCHJYFZSA-N 482.367 5.125 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1C 604450536 MGHRMMBCAQEPKT-NRFANRHFSA-N 453.546 5.242 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCc3cc(Br)ccc3OC(F)F)o2)cc1 609059923 PBCXDHQJLVMTDK-UHFFFAOYSA-N 477.261 5.024 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CN2CCSCC2)cc1 609061312 ZPWFGQLAJNKKSB-UHFFFAOYSA-N 457.599 5.247 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccc1SC 609079705 JEWANIKAGZXWBL-UHFFFAOYSA-N 482.005 6.185 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3ccc(Cl)cc3)CC2)c1 609186096 WYQNMJCIRKZSQS-MZBJOSPHSA-N 492.019 5.055 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 609376924 LQWKGBMQCDDDHS-LJQANCHMSA-N 452.583 6.352 30 20 JKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 609377280 UCFYSKJIEPPZSE-INIZCTEOSA-N 463.515 5.900 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 609436136 GIKJFFZQEYDMQF-HXUWFJFHSA-N 486.641 5.064 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C 609438886 XRLSMQKWOJAWFR-UHFFFAOYSA-N 493.567 5.059 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc2ccccc2n1 613292334 IRJDANNDHURZPR-NRFANRHFSA-N 470.326 5.740 30 20 JKED O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618538034 IPYYDWNKXGXFKE-GHMZBOCLSA-N 473.389 5.607 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618554972 AQYMRIJEJLSWGS-GJZGRUSLSA-N 494.455 5.699 30 20 JKED O=C(c1ncsc1C(F)(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517131 AJLUBMZFPNVGPJ-LLVKDONJSA-N 478.336 5.413 30 20 JKED O=C(Nc1cccc(COc2cccc(F)c2)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642511865 JTSXNRPXDHUERA-GJZGRUSLSA-N 478.408 6.436 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(Cl)c3SC(F)F)CC2)cc1 726077718 HQRSXCBRMCRSPD-UHFFFAOYSA-N 450.942 5.266 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 726321004 BANJYDUGNJNBHK-HNRNTVDCSA-N 451.611 5.103 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\[C@@H](C)c1cccs1 726415033 DWCHMIREAYVTEH-GKXRWOHOSA-N 455.649 5.175 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1 726732609 HIOPTPXUWAAPET-IBGZPJMESA-N 450.491 5.001 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(F)cc2)cn1 726889521 GOQMJIHSMKVECJ-JOCHJYFZSA-N 492.576 5.007 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2)c1C 727252478 DUJKXPGYKWOHSC-HSZRJFAPSA-N 493.608 5.128 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccs2)c1Cl 728430267 PSEKDOIEHJXSJQ-OAHLLOKOSA-N 468.431 5.164 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 728521622 GBYKTHUZMZLSHN-DHLKQENFSA-N 475.589 5.602 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)Nc2ccccc2)cc1 728556830 ZFKAHGDZYVVAOW-UHFFFAOYSA-O 496.678 5.384 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N)c1cccs1 728778167 PIZDFHVRGXXQJQ-XDIPYHTFSA-N 475.039 5.485 30 20 JKED COc1ccc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c3ccccc3n2)cc1OC 729416079 IHRFPXBJNLGLSN-UHFFFAOYSA-N 493.563 5.474 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 729632560 ROHKUVMOXMLDQJ-XMMPIXPASA-N 488.588 5.178 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(C(C)(C)C)cc2)c1 729667804 RAWWVSXXFBGLPU-UHFFFAOYSA-O 465.595 5.319 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2F)c1 729819016 SEPROYUWIIFHCY-HSZRJFAPSA-N 472.545 5.166 30 20 JKED N#C[C@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 729890076 WYIPIFKHIOJJTG-QGZVFWFLSA-N 478.430 5.195 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O 730460577 BPJUQYHTQURJIX-LJQANCHMSA-N 479.936 5.140 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 730646621 WJZAFECOLKYGQG-UZLBHIALSA-N 475.353 5.298 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(F)c2)s1 730718835 QRAQXCSYPFGGNS-DNVCBOLYSA-N 483.594 5.016 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 731060500 WRBAQCDCPCKUIJ-GFCCVEGCSA-N 487.792 5.602 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N([C@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731310976 UHIIGAQMWAADDY-XZOQPEGZSA-N 493.535 5.318 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 731349011 GHSXZMSTKLGAAJ-YMIFCHIISA-N 477.611 5.746 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc1OC(F)F 744766309 NIPZAJKXGXZNDV-UHFFFAOYSA-N 462.522 5.070 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccccc1Cl 747112470 YKCOVOKJQRXCPT-CQSZACIVSA-N 464.761 5.660 30 20 JKED O=C(Nc1cccc(F)c1)C1CCN(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 751139736 FPZOWRDQXSXTDJ-PLNGDYQASA-N 488.403 5.754 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)OC(=O)c4ccc(NC(=O)CC#N)cc4)cc3)sc2c1 757703219 PDCLRIWATDJZEC-KRWDZBQOSA-N 498.564 5.308 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)n(Cc2ccccc2)c1C 758472987 OVAUPHMCIFZDPK-UHFFFAOYSA-N 477.571 5.274 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 837301521 ZJCNJCNWDWAHKO-QVKFZJNVSA-N 466.513 5.081 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)F)cc2)c(C)s1 914694327 HMRQSSJLEBNODU-DJJJIMSYSA-N 493.601 5.328 30 20 JKED C[C@@H](OC(=O)CCOc1ccccc1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 914999252 HQJBDOWMRPVTTI-QGZVFWFLSA-N 460.555 5.115 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc2ccccc2n1C(F)F 915107584 UPBVTBKMADNORA-SIKLNZKXSA-N 457.436 5.376 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 915354163 WKWMWSKTOMXEOQ-NRFANRHFSA-N 499.924 5.763 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cccc(OCc2ccccn2)c1 915949952 VZKUPNVWYJCJIK-UHFFFAOYSA-N 456.358 5.397 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 916055360 KLDHXJANRDHYRO-UHFFFAOYSA-N 481.459 5.440 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)cc1OC 916068163 GAVLGPVGEJKPQN-OQFUBPRESA-N 490.478 5.048 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)cc3F)cc2OC)cc1 916141425 IWQQORPBGAWSKY-WUXMJOGZSA-N 450.462 5.105 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3ccccc3)n2-c2ccc(C)cc2)cc1 916623000 VTQCCAUXYLAURJ-HSZRJFAPSA-N 454.555 5.220 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 916884289 WCXVCNNCDCSLNU-HXUWFJFHSA-N 496.748 5.316 30 20 JKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916908129 LPAGHFCZZCNBNQ-VOQZNFBZSA-N 453.498 5.035 30 20 JKED C[C@H](NC(=O)OCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997076 QCSNEZZIOKEKEV-GUYCJALGSA-N 474.369 5.608 30 20 JKED CCCCc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)CC2=O)cc1 917042890 ISYAERJGENIPAS-IEBWSBKVSA-N 450.489 5.003 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 917043450 MCPXHVQYEQPYOD-INIZCTEOSA-N 488.325 5.960 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccccc2C#N)cc1 917612117 HZTDKXYLNCRKMP-UHFFFAOYSA-O 485.633 5.528 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2c(C)cccc2C)n1 917657628 HZOUEAMNWUIVNZ-OAQYLSRUSA-N 494.020 5.216 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 917669058 MUCZOECYUQSUNV-DEOSSOPVSA-N 482.561 6.266 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cn3c(S)nnc3-c3cccs3)cc2Cl)cc1 918381962 LNDJJRGFPRVQSH-UHFFFAOYSA-N 467.963 5.251 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 918413593 BMVFQGJNNAHFDN-XMMPIXPASA-N 477.486 5.491 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2ccccc2-c2ccccc2C#N)cc1 918902579 ZKGYBWUMPSUERR-SANMLTNESA-N 454.526 5.144 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3cccc(Br)c3)n2)cc1 920143493 QITLXDSPXYBNCX-LJQANCHMSA-N 471.376 5.617 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cc(C)on3)C2=O)cc1 920354194 AKOGONBQDNQMII-JOCHJYFZSA-N 462.575 5.069 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccc(F)cc2)no1 920355787 OSQVGODTVVQIKI-HXUWFJFHSA-N 486.956 5.244 30 20 JKED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)CCCCCCCCCc3ccccc3)C2)C1 1785503757 BRWWCJWJUAYMHM-PMERELPUSA-N 498.708 5.163 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccc(F)cc34)CCC2)cc1 1786679744 NMKOPFCFRDGWMZ-UHFFFAOYSA-N 465.594 5.293 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Br)cc3F)CCC2)cc1 1787885647 YGCGZQIXCLVSQG-VZUCSPMQSA-N 470.342 5.039 30 20 JKED COc1cccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)c1 1788358281 WZJFTYGZWYVJHQ-UHFFFAOYSA-N 491.551 5.018 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)c(Cl)c4)cc3)CCC2)cc1 1789738007 NKTVEYPNSXTHLC-UHFFFAOYSA-N 479.367 5.250 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c(F)cncc4F)cc3)CCC2)c1 1789869000 LPCSSRSWDMCLHM-MRXNPFEDSA-N 460.484 5.048 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)c(C#N)c1 1790473132 WPOSAPUTDQRGDN-UHFFFAOYSA-N 497.473 5.169 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790590552 CHSCXRZHPCYRCV-RUZDIDTESA-N 469.585 5.069 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](CCC=C)NC(=O)OC(C)(C)C)CCC2)cc1 1791730705 RWHBJCFCLMJTCX-QHCPKHFHSA-N 481.637 5.174 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)ccc1[N+](=O)[O-] 1792123913 GQGLZPBBOFDTPN-SFHVURJKSA-N 498.539 5.292 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccc(O)cc1 1797878174 JEDFHIOIWRABNK-GVIJCZITSA-N 476.661 5.134 30 20 JKED CCOc1c(F)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cc1Cl 1800591308 IKYFTQLQBHEOKP-ACDBMABISA-N 493.095 5.181 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1801696688 VFEIJYSOAIZAQU-KAOXLYBCSA-N 474.498 5.348 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccc(C)cc4)CCCCC3)[C@H]2c2cccnc2)C1 1802414047 PBFHJDRYXLFYKW-SQHAQQRYSA-N 471.645 5.264 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(C)cs2)[C@@H]1c1cccnc1 1802492501 QFCOJUZGESQIJQ-XUZZJYLKSA-N 453.652 5.083 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1803216226 ASURIMODBATKJD-ZONZVBGPSA-N 459.634 5.296 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1803219127 XJSNAYVZSZPJIT-XDZXDJIYSA-N 459.634 5.296 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1C(F)(F)F)c1ccoc1C(F)(F)F 1803859298 SAVZTSGYUZZPBT-CLLJXQQHSA-N 478.364 5.022 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC2(CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C2)CC1 1804741619 AFGHKFCIZCLEBL-UHFFFAOYSA-N 494.422 5.371 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC4(CCN(C(=O)CCCC#C[Si](C)(C)C)CC4)C3)c2c1 1806891459 LUMXPLIBGLWAOC-UHFFFAOYSA-N 491.752 5.301 30 20 JKED Cc1nc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)C2)cs1 1808693268 XIWWBFRFGBYTKO-UHFFFAOYSA-N 483.637 5.010 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810272549 PPPIWURZLPGFRM-ILBGXUMGSA-N 467.730 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1810414775 UTIHZAZGUKCUKQ-BKMJKUGQSA-N 493.623 5.322 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811719447 ZSTGICQMXSQSKK-SVEHJYQDSA-N 495.623 5.962 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1811748990 IIZWHJCCTIPHTK-INZVZTLUSA-N 493.051 5.533 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c1 1811858500 NUUJJLHMSOQZAK-NFTQTCPJSA-N 478.596 5.219 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1813955234 QUCVTPJXTKHKNG-QPPBQGQZSA-N 485.550 5.497 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)nc4ccccc34)[nH]n2)C1 1814395469 WEUKUJMAORYDND-FQEVSTJZSA-N 483.494 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCN(c3ccccc3)CC2)n[nH]1 1814815058 IVBTXGZABKDAJT-NOZRDPDXSA-N 475.637 5.087 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)[nH]n1 1814828484 MZWRVWVWLKCLNU-IBGZPJMESA-N 490.526 5.300 30 20 JKED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814932834 FRTSMXIJQOPPCG-NNESSARFSA-N 497.039 5.068 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1 1815209268 ALZHSSOKUWHXTG-OAQYLSRUSA-N 493.435 5.324 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1817097449 CPZADHUMHNKWRL-AWEZNQCLSA-N 480.384 5.216 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114145 KWRLRRZVJIGFPX-VXZSLJOMSA-N 480.615 5.067 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)n[nH]2)c1 1818593500 UQPYYKUABNLNSS-QHCPKHFHSA-N 486.963 5.344 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1819309261 QCWZQXVSXHTXIO-GHTZIAJQSA-N 496.409 5.118 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3nc(C)sc13)CC2 1819599958 PHBXHORVWPNDEX-CVEARBPZSA-N 466.632 5.055 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)oc3C)[nH]n2)c1 1820206588 NFIOWJSLRRYNSC-QFIPXVFZSA-N 489.576 5.109 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)n[nH]1 1820296447 QDCJZWOEKNOZLU-SBUREZEXSA-N 493.011 5.528 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1 1820484370 LXYHBMZTBSHPBV-KRWDZBQOSA-N 498.406 5.034 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)[nH]n2)cc1 1820549469 WMXLTYKQMFOIRY-LJQANCHMSA-N 486.334 5.347 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)[nH]n2)cc1 1820551166 GXVZWTKIAAKZAC-QHCPKHFHSA-N 484.947 5.103 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)s1 1821692958 OWAHPOGFEDGFRA-FQEVSTJZSA-N 494.596 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cncc(-c3ccccc3C=O)c2)n[nH]1 1821727339 ICUPBHZWUFCAIS-RUZDIDTESA-N 499.615 5.583 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1821921588 UYYUKAKKXCWMFH-WMZHIEFXSA-N 457.578 5.298 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@H](C)c3ccccc3)n[nH]2)c1 1822044828 OWILTHAUZMVKLX-WZOHSFFVSA-N 469.589 5.536 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1 1823495219 FAHRMKGKNXOCMG-MRXNPFEDSA-N 485.396 5.056 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823686185 QOWVSOJADXJKAB-AREMUKBSSA-N 494.035 5.086 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1824050499 AQHBXMRPTHPMFY-UPRLRBBYSA-N 487.619 5.053 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1824876643 UKAGLXVJOXMTAC-SANMLTNESA-N 496.026 5.146 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1824957295 AFXCBVPEIMROIU-VWLOTQADSA-N 477.674 5.210 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825575422 NSKNCCBJEWZBCC-UQBPGWFLSA-N 451.586 5.266 30 20 JKED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c(c1)c1ccccc1n3CC)CC2 1826056322 OSXOEBSNSUUOFI-QGZVFWFLSA-N 458.587 5.073 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2F)CC1 1827991410 SFRJEFBSKRQLMH-HXUWFJFHSA-N 497.474 5.049 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1829007424 YHLARCYCHDTNNE-UHDKANCKSA-N 480.630 5.112 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1829067275 HAEYIWDXCIODAC-WNCULLNHSA-N 479.709 5.663 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1829068095 DQZVGWOYUDRCQG-QFIPXVFZSA-N 491.717 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1 1829069058 HYDYYDVVPSPVLG-LJQANCHMSA-N 466.453 5.614 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1 1830003556 JXYPWBQMEVNHIF-JWQCQUIFSA-N 497.680 5.006 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(C)C)cc3)CC2)c(C#N)c1 1830057043 CEGUQBVDHFKFHA-NDEPHWFRSA-N 487.644 5.166 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1)C(F)(F)F 1830533191 JMOBVZLIOVRDQX-GOSISDBHSA-N 480.424 5.196 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1831445547 CDZRNFQGGOUIIA-XMMPIXPASA-N 483.603 5.351 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1831841470 ADMABDNSELMEQA-CCLHPLFOSA-N 487.669 5.453 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1831852061 NMGWQHHADQFLLZ-HSZRJFAPSA-N 493.475 5.817 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1831922055 VHEUREDIIGTAHN-BOSLPAGOSA-N 490.619 5.220 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1832632432 QELFXIXMKIDZPE-RTGAMMJTSA-N 489.582 5.465 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c1 1832634245 SBBSHMBADHANBO-KBMIEXCESA-N 464.009 5.514 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 1832634607 XKPSJJYBUSADPI-LYZGTLIUSA-N 482.628 5.271 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2)CC1)NC(=O)OC(C)(C)C 1832756451 DWAGRDGPIBEGKX-JWQCQUIFSA-N 497.680 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)CC1 1835815861 FHPWYNKWLZRXOS-MDZDMXLPSA-N 477.649 5.010 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)CC1 1837124324 GFBFUMPTWKDYSA-KTKRTIGZSA-N 477.649 5.172 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1838580209 QFEVFALHKQXBKS-UHFFFAOYSA-N 467.654 5.167 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Cl)cc(Br)c3[nH]1)C2 1844357321 ZMVPGFLDNVCDTB-UHFFFAOYSA-N 492.845 5.393 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc(N(C)C)cc2)c(C)s1 10174200 NKFKHLITYGECRL-UHFFFAOYSA-O 494.584 5.668 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(C)c(F)c1 11082744 GNJREEXKJNAVBR-UHFFFAOYSA-O 462.397 6.342 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 11084220 NZMWFQIXZWQXHQ-UHFFFAOYSA-O 481.641 6.187 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccc(F)cc2F)cc1 11247308 BRTCTTKJXMCRPL-UHFFFAOYSA-O 476.366 5.628 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)n(C2CCCC2)c1C 12473690 QOFHALKRDRHAMZ-UHFFFAOYSA-N 460.607 5.281 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(C#N)c1C 14596719 HYZSTRSXSMMXEZ-UHFFFAOYSA-N 450.545 5.066 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C#N)c(Cl)c2)c1 15623655 YCOLKPGRRBSVFB-UHFFFAOYSA-N 458.905 5.334 30 20 JKED C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16716331 OWOZDHSUWFUIHR-HNNXBMFYSA-N 463.950 5.231 30 20 JKED Cc1cc(C)c(NC(=O)COC(=O)[C@@H](C)Sc2cc(C)c(C#N)c3nc4ccccc4n23)c(C)c1 21087857 FIDOBRPNJRWBRU-LJQANCHMSA-N 486.597 5.255 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)cc1 21174715 OKGCFBDHRLGRMF-UHFFFAOYSA-N 472.595 5.041 30 20 JKED N#Cc1cc(C#N)c(S[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)nc1N 21424831 YDCGOGIQUYQTSF-SFHVURJKSA-N 487.894 5.551 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(Cc2ccccc2)cc1 22693902 XIZNXHAZUATCES-UHFFFAOYSA-O 487.595 6.511 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2cc(-c3ccccc3)sc2c1=O 26163189 COFKVQIRMPKYBD-MRXNPFEDSA-N 472.595 6.214 30 20 JKED C=CCn1c(SCC(=O)NCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1Cl 27150786 URCDSXUCMDZXMG-UHFFFAOYSA-N 490.441 5.456 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 29151641 NMZLDXSUJGEYNY-UHFFFAOYSA-N 453.951 5.194 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)c2)c1 32290396 VNAAHDOCQUITNI-UHFFFAOYSA-N 468.538 5.027 30 20 JKED CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 33245898 SJEOCLJQSSUCDX-UHFFFAOYSA-N 486.959 5.080 30 20 JKED Cc1c(-c2ccccc2)sc2ncn(CC(=O)c3cn(CCC#N)c4ccccc34)c(=O)c12 57723168 HKASXNCZZPUXSL-UHFFFAOYSA-N 452.539 5.185 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 72025263 BHFNLTXREAIVKJ-OAQYLSRUSA-N 454.530 5.542 30 20 JKED Cc1sc2nc(SCC(=O)Nc3cc(Cl)ccc3C#N)n(C3CCCC3)c(=O)c2c1C 253590313 ADYPXIWHRKMCEF-UHFFFAOYSA-N 473.023 5.446 30 20 JKED C=CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 303131076 KKPPMOZYJKYGFH-UHFFFAOYSA-N 480.377 5.448 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1Sc1ccc(Br)cn1 303253666 CSGHFAFIYVUGQT-HNNXBMFYSA-N 484.444 6.499 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1 303282839 VAYDYUQGEDTYAP-UHFFFAOYSA-N 475.467 5.777 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)n2)cc1 481828201 CCVLDIBYKYTZHT-IBGZPJMESA-N 469.488 5.754 30 20 JKED CC(C)c1ccc(-c2cc(NC(=O)Cn3cc(C#N)c(=O)c4ccccc43)n(-c3ccccc3)n2)cc1 502589367 ZTAIKVMBNNSWLB-UHFFFAOYSA-N 487.563 5.488 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 502676848 BNGUWHNVXWSSMR-UHFFFAOYSA-N 474.374 5.434 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1OCc1ccncc1 505966844 WEAKQRBPBNVTCF-SFHVURJKSA-N 460.534 5.211 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1cccc(-c2csc(C)n2)c1 506443869 DBQCYYXTBIPWRV-UHFFFAOYSA-N 488.382 5.173 30 20 JKED COc1ccc(CC2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 506662451 NTRANHQOVZESIP-UHFFFAOYSA-N 469.585 5.827 30 20 JKED C[C@@H](c1ccc2ccccc2c1)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 509863875 KUJJQTWTDCCUFP-IBGZPJMESA-N 480.568 5.928 30 20 JKED COc1ccccc1N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510023616 NRVTXNBOQVXCCB-QFIPXVFZSA-N 460.965 5.358 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(SC(C)C)cc2)cc1 510258422 OETOLVHXHXOJMC-GOSISDBHSA-N 489.597 5.676 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCSc3ccccc32)C(C)C)nnc1-c1ccoc1C 514773997 ORMUUNGNVUWLDH-FQEVSTJZSA-N 454.621 5.288 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 515672734 AZUYBVRCIAFKTC-VWLOTQADSA-N 462.977 5.425 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 515818627 QDWWATMYCOAGJT-UHFFFAOYSA-N 477.424 5.327 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)CC2CCC2)cc1Cl 516302996 USZQMLJGBJOXSA-RUZDIDTESA-N 471.988 5.763 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 516352101 CIGZJZQFUALVMS-OAHLLOKOSA-N 471.878 5.164 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 518676873 UYHJBKDUDWPPAP-WMZHIEFXSA-N 455.583 5.051 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 518883232 XOBXPRLXFYPDBN-SANMLTNESA-N 484.556 5.032 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 521084519 ZNVQWRPIUPNGHW-UHFFFAOYSA-N 458.953 5.055 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 521201355 GQLXZGYEQYAXIR-LBPRGKRZSA-N 462.415 5.510 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccccc3SC[C@@H](C)C#N)nc(O)c2c1C 521727422 XAJXQSMIXYYEGW-SWLSCSKDSA-N 472.661 5.526 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cc3NC(=O)c3ccco3)o2)cc1 524385498 BTFLHEPECNJVAR-UHFFFAOYSA-N 461.861 5.481 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C 524421729 HWWRJJKSKJXWCP-MUUNZHRXSA-N 494.595 5.249 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc(C)nc21 524458721 CUMDLYWKBGAZST-KRWDZBQOSA-N 457.509 5.553 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-n4nccc4C(F)(F)F)cc3)o2)cc1 551341111 IHAJCGJCXIYYIQ-UHFFFAOYSA-N 452.392 5.187 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2C)nnc1-c1ccc(Cl)cc1Cl 589061506 WFJJIBSCJNWRAP-UHFFFAOYSA-N 463.390 5.486 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)n(C2CCCC2)c1C 590612262 GJYOTORQWGHUMJ-UHFFFAOYSA-N 460.607 5.281 30 20 JKED C=CCN(C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 596370290 LGJAKYWYYDWMEG-MRXNPFEDSA-N 474.487 5.249 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1Cl 603673328 FHMQLNIIYZZVOV-HXUWFJFHSA-N 468.900 5.090 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603685416 QESSYWPDCAOJFN-IUCAKERBSA-N 482.299 5.175 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 603759309 WVOLQDHXOGKJTC-UHFFFAOYSA-N 462.597 5.215 30 20 JKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 603836529 AADWFTNLLIGQIH-OAHLLOKOSA-N 481.839 5.803 30 20 JKED COc1ccc(CSCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1[N+](=O)[O-] 603992625 RKYKZOLNHUQQMP-UHFFFAOYSA-N 465.556 5.174 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(OC)cc2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604513946 VBYUECCBCLAKFM-UHFFFAOYSA-N 492.582 5.992 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609060174 UHUONXVHLNWZEG-NRFANRHFSA-N 481.346 5.479 30 20 JKED CN(C(=O)CSCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C1CCCCC1 609062845 ICCXZNKRNKBUGU-UHFFFAOYSA-N 486.037 5.253 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 609078533 WXRVNWSIAVMKJZ-UHFFFAOYSA-N 482.584 5.394 30 20 JKED COc1cccc(N2CC[C@@H](NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 609115467 HYAGRZBBVZEDFY-HYBUGGRVSA-N 460.965 5.404 30 20 JKED Cc1csc(Sc2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2[N+](=O)[O-])n1 609185076 AEVUQKJDADVTLB-UHFFFAOYSA-N 480.571 5.066 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 609370971 NTKZGAIGPROXGU-QGZVFWFLSA-N 479.675 5.762 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 612941711 OWXKACSEVQXOPI-OAHLLOKOSA-N 491.794 6.123 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 613319623 INCFFMQBWJFGOZ-IBGZPJMESA-N 465.987 6.298 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nc2ccccc2n1C(F)F 613403134 CZCTULYEEKJCMZ-INIZCTEOSA-N 485.416 6.003 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 613907814 MCGRPWCGXDYTQT-KRWDZBQOSA-N 480.565 5.240 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 619945015 WQWYDBAVHOPUOH-ZIAGYGMSSA-N 466.401 5.029 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1sc(C)nc1-c1cccs1 623597274 CYTZTCQIMNFBMA-UHFFFAOYSA-N 465.413 5.839 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4nc5n(c(=O)c4c3C)CCCCC5)n2)cc1 642281129 LFDWRXAFDSAZFL-KRWDZBQOSA-N 474.611 5.415 30 20 JKED C=CCn1c(Sc2ncnc3scc(-c4ccc(OC)cc4)c23)nnc1-c1ccncc1 669623658 VKFZCCGBZROFOO-UHFFFAOYSA-N 458.572 5.358 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 684255468 XAPMIYVSGAIKQB-FQEVSTJZSA-N 455.672 5.044 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c12 726321997 QWYCMAIFKYSVJB-MRXNPFEDSA-N 466.831 5.091 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N([C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726394574 VUFDJHCQAVCKEE-TZIWHRDSSA-N 493.551 5.179 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 726396193 CWZJUOCAYRZLKJ-SBUREZEXSA-N 479.577 5.364 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(OC)c(F)c1 726409728 CMQDNVYMDZPEPC-SFHVURJKSA-N 495.548 5.295 30 20 JKED CCOc1c(Br)cc(/C=C\C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1OC 727267057 AZWCEKFYSOGABG-SREVYHEPSA-N 479.283 5.186 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2C(F)(F)F)C[C@@H](C)O1 728010143 DWEBJYYCKJDRAL-AOOOYVTPSA-N 450.354 5.128 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3NC(=O)c3cccs3)cc2)c1 728032752 NBGLLNVZNMJASH-UHFFFAOYSA-N 453.523 5.703 30 20 JKED C#Cc1cccc(N(C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)C(C)C)c1 728247551 JEDZWZLFLCYEQW-UHFFFAOYSA-N 454.570 5.124 30 20 JKED CN(C[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1)C(=O)OC(C)(C)C 728738924 VLBVJHHYXXHYOD-HYBUGGRVSA-N 462.594 5.453 30 20 JKED CCOc1ccc(Br)cc1CN(C(=S)Nc1ccc(C#N)c(Cl)c1)C1CC1 728792239 JGKRRGNLPOEFGM-UHFFFAOYSA-N 464.816 5.734 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)c1 729633024 VBMHVTWONIKCCJ-VWLOTQADSA-N 482.609 5.149 30 20 JKED N#CCn1c(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)cc2ccccc21 729651300 JPVNVWYFSMAJJC-UHFFFAOYSA-N 460.877 5.558 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2ccc(C(C)(C)C)cc2)c1 729670309 OAANBRVNBXQEJR-UHFFFAOYSA-O 479.622 5.826 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sccc1-c1ccc(F)cc1 731077131 GIVLOQQXYAVGLK-HNNXBMFYSA-N 454.548 5.744 30 20 JKED COc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 731128997 GBNDTTCCBSJVSM-XCZPVHLTSA-N 475.548 5.195 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2)c1 731305966 QSPMMFMRANCJQM-QFIPXVFZSA-N 495.988 5.215 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cccc(F)c2)C1=O)Nc1cccc(O)c1 731308388 ZVVAHBPHXKEIGK-NRFANRHFSA-N 483.952 5.345 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c1 731308693 MDSCKAIGNHJZRR-HXOBKFHXSA-N 477.586 5.139 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)CCc2ccco2)cc1F 731309303 RLSXITHCGUCIRD-UZUQRXQVSA-N 495.576 5.414 30 20 JKED COc1ccc(Cl)cc1-n1c(-c2cccc(Cl)c2)nn(CN2CCC(C#N)CC2)c1=S 747078986 QAIPCUSWOGPXPH-UHFFFAOYSA-N 474.417 5.579 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cscn2)cc1 747602170 YKXHIRJVIJRYQU-HSZRJFAPSA-N 486.622 5.765 30 20 JKED CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1sc(-c2cccnc2)nc1C 747607127 GLZQDTJPZCNJAH-UHFFFAOYSA-N 456.600 6.330 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1 749416859 FNMTXDSOQYVQAY-VWLOTQADSA-N 452.489 5.990 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837741800 LCJRZYJDYCXTGK-VGOFRKELSA-N 462.550 5.251 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCC(C)C)c1 914555887 NXUKHKNLWYZZLY-QFIPXVFZSA-N 484.597 5.181 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2sccc2C)c1 914555925 ORACEWDJCRKIGX-NRFANRHFSA-N 492.626 5.175 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2cccc(F)c2)C1=O 914773037 VUUYZFAZJKDEHQ-QHCPKHFHSA-N 477.561 5.303 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)cc1 915087226 QRTAFVHGKIZEPW-HXUWFJFHSA-N 486.622 5.413 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 915087321 SBNWURIXSYJOEN-IAPPQJPRSA-N 493.994 6.495 30 20 JKED COc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 915101797 LBPNMXUCUSIIRM-QGZVFWFLSA-N 454.935 5.320 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915104055 JDSVPCPBZVNSCD-PWSUYJOCSA-N 468.685 5.491 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CC2CCC2)C1=O)Nc1ccccc1Br 915116143 CICDGSXRSAYYAN-LJQANCHMSA-N 472.408 5.210 30 20 JKED Cc1sc2nc([C@H](C)OC(=O)c3ccc(OCc4ccccc4C#N)cc3)nc(O)c2c1C 915512292 RNTYZNLTPMMLCB-HNNXBMFYSA-N 459.527 5.382 30 20 JKED COc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nn(CN(CCC#N)CCC#N)c2=S)cc1 915794430 IWXBDVQKZJDJSE-UHFFFAOYSA-N 474.634 5.463 30 20 JKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OC(=O)c1cccs1 915849040 PQEBZLDRRUZUEG-DEDYPNTBSA-N 464.568 5.484 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916898277 AEGBDESUPCRPML-LJQANCHMSA-N 479.895 5.010 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 916907140 LEUXSYGSQXBMBJ-NRFANRHFSA-N 497.426 5.811 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)sc2C)cc1 916910754 UFNDKUQVIBUUCL-QHCPKHFHSA-N 482.561 6.486 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)Nc1cccc2ccccc12 916915821 KFFNADVXIFHKHW-FQEVSTJZSA-N 490.382 5.616 30 20 JKED N#C[C@@H](C(=O)c1cccc(N2CCOC2=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997321 VNWBIYUJPFQFRP-INIZCTEOSA-N 458.326 5.564 30 20 JKED FC(F)(F)c1nnc(S)n1N=Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 917026777 OWCKRQLTFVJDNH-UHFFFAOYSA-N 462.888 5.033 30 20 JKED N#C[C@@H](C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1nc2cc(Cl)ccc2s1 917045077 WSJFBDYTBOMAIB-LBPRGKRZSA-N 482.999 5.326 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1OCc1ccccc1Cl 917507547 ZRYJVDBEBKLKHL-LJQANCHMSA-N 478.932 5.246 30 20 JKED COc1cc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1Cl 917562370 GJAAOFMZGSZFSZ-RMKNXTFCSA-N 460.914 5.534 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)N[C@H](C)c2ccccc2)cc1 917610321 QNKLKEFTCUMNMY-HXUWFJFHSA-O 488.677 6.210 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 917636797 UHMXXINGFVUWPN-CQSZACIVSA-N 495.832 5.626 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)ccc1OC(=O)c1ccccc1F 917644537 GWFDTSNLOSOANP-XKZIYDEJSA-N 490.537 5.331 30 20 JKED COc1cc(C=NNCc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1Cl 918152575 HNENEWJODFSNFN-UHFFFAOYSA-N 458.345 5.143 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn(-c2cccc(Cl)c2)c1 918486609 DHSSKLRITUVIJQ-OAQYLSRUSA-N 456.889 5.279 30 20 JKED CCN(C(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1)[C@H](C)c1ccc(C#N)cc1 919863336 XVMDYQXHLZRNBZ-LJQANCHMSA-N 482.609 5.023 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 920144007 VWQWWIKPPKAXMX-LRDDRELGSA-N 491.794 5.878 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1 920336781 OKVMWDXWIPONJJ-UHFFFAOYSA-N 457.555 5.264 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)N(Cc2ccco2)c2ccccc2)cc1C 920892769 NGMHZTYTNFPOQG-UHFFFAOYSA-N 482.540 5.064 30 20 JKED C[C@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1Br 920907976 PSKXKQGDGXFQRP-AWEZNQCLSA-N 469.295 5.052 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)nc4F)cc3)CCC2)c1 1785768051 ZEWMZFZPVAFXSL-INIZCTEOSA-N 460.484 5.048 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cncn3-c3ccc(Cl)cc3F)CCC2)cc1 1786678438 RVASTORWQBAQJE-UHFFFAOYSA-N 499.011 5.332 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)CCC2)cc1 1786678623 BNMLUXWHPQFFKQ-UHFFFAOYSA-N 498.649 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc3)CCC2)c1 1787148941 LSQPSVIZSVOQMC-QGZVFWFLSA-N 490.510 5.372 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1 1787287363 RUPGVJZRHFUDCQ-NRFANRHFSA-N 483.634 5.355 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)s1 1787333983 UQGNWBDCNNDCPX-UHFFFAOYSA-N 458.587 5.012 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)F)no3)cc2)CCC1)c1ccccc1 1788307459 AIAWSTARDRGQES-NRFANRHFSA-N 477.511 5.557 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccc(F)cn34)CCC2)cc1 1789457901 FAXJWYGMQFMNIE-JOCHJYFZSA-N 460.553 5.298 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1790564665 KSIXQHSUFHXJOQ-QTYVQNMISA-N 488.632 5.299 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1 1790649925 PACXYGHADQTMEQ-HNNXBMFYSA-N 479.474 5.393 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cnn(C(C)(C)C)c4Cl)CCC3)cc2)c1 1790796870 QZMSSXWPFHDELE-UHFFFAOYSA-N 490.007 5.533 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(OC)cc4)on3)CCC2)cc1)C(F)(F)F 1791302983 HFXXVVXYQIALNI-UHFFFAOYSA-N 485.462 5.216 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)CCc3cncc(C(F)(F)F)c3)cc2)CCC1 1791772694 ZUXFVMSDURPHGE-NRFANRHFSA-N 479.568 5.122 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC(c5ccccc5)=NO4)CCC3)cc2)c1 1792122530 BTQDTVAUPWOKGU-HRFSGMKKSA-N 492.579 5.255 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccn5cn4)CCC3)cc2)c1 1792123543 HVMFAVBDOYNUOA-LJQANCHMSA-N 463.541 5.023 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(Br)cc3F)CCC2)cc1 1792267554 YUWXNZPJQCTSMT-UHFFFAOYSA-N 471.370 5.068 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792283403 LBCAFXWZEYNTLM-MUUNZHRXSA-N 495.664 5.351 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@](C)(OC)c1cccc3ccccc13)C2 1793047455 JMSCIKKHNXTWPX-MVPDCNEZSA-N 460.618 5.108 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Br)cccc3n1)C2 1793053220 WUACULVYIRJUMU-REPLKXPHSA-N 482.422 5.018 30 20 JKED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1793585022 VCGWUUIXMXRTMN-XGAJZPNHSA-N 484.596 5.475 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2cc3ccccc3o2)c1 1797702985 KVKASXRNZNWQKY-VIRIECSYSA-N 453.542 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C2 1798594014 WXIBWBRGHISYJV-DTUBNOLGSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1802496680 MBEOYFXVTHPXQK-URXFXBBRSA-N 487.566 5.341 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1803083994 LLRQQBABXDSKST-ZJSXRUAMSA-N 477.605 5.523 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1803091158 XTTZCQQTXNYDBP-URXFXBBRSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)ccc3OC)CC2)C1 1805457717 MGMPGJWHFRIBJM-UHFFFAOYSA-N 489.454 5.071 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1810181197 FGMQOFQGIKMXBC-DRLORSAXSA-N 489.019 5.371 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1810275469 XYFHXRFORBAMEO-AUSIDOKSSA-N 488.129 5.167 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810408272 DGEIWVBJOMLYQM-FRADWQLESA-N 491.708 5.143 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1810502176 MMJFDLFHRZMXRC-JTSKRJEESA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1810757269 QDZOZTISDJLKSO-FYYLOGMGSA-N 487.522 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810930676 VQGKXMAUBLPVGJ-YSZBQJHXSA-N 489.513 5.328 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1811181975 PXWDDNFGWXECHL-XTEPFMGCSA-N 486.660 5.160 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1812590776 OJEQKMPNFUHBHC-REIDKSKDSA-N 474.432 5.239 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2Br)[C@H]1c1cccnc1 1812592636 RLBUTKGAMRPISZ-XPIZARPCSA-N 490.829 5.029 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1812592790 UHARVLATGFTHDZ-GCCWUPBUSA-N 453.586 5.280 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1812669674 ACCSZNICTYYWSV-PGRDOPGGSA-N 494.567 5.080 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)CCc2ccc(F)cc2)[C@H]1c1cccnc1)c1ccccc1 1812896433 BYEBBYIKUUSRLE-JNQIMCCTSA-N 497.614 5.057 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1813955466 TURAOZVXFWLJKN-RPWUZVMVSA-N 479.502 5.187 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1cccnc1 1814065881 RZHCHPDCMSDFPM-YWEHKCAJSA-N 490.648 5.035 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)[nH]n1 1814444183 WVYUMUSNIQHCFN-KNQAVFIVSA-N 452.599 5.252 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213405 OVFWXGJUOZKEPX-PKOBYXMFSA-N 485.576 5.071 30 20 JKED COc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1C 1819386386 MGMDZQDBSKIJHC-JOCHJYFZSA-N 480.685 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)[nH]n1 1819554561 HWPYLSHXFNZZNJ-QHCPKHFHSA-N 475.593 5.265 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820239555 VWZMJCUQINTEEF-DEOSSOPVSA-N 458.537 5.325 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)cc1C#N 1820562817 HJRRIFOLRITBQQ-QFIPXVFZSA-N 491.979 5.342 30 20 JKED Cc1csc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)c1 1821241638 XXGPCRBHLATBIZ-SFHVURJKSA-N 498.406 5.034 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523940 GRFJWSGSRXNXRN-VGSWGCGISA-N 471.561 5.669 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821856375 CTSUNNGGLWZBEY-FUPPJEDESA-N 487.044 5.068 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1 1821861343 SSJKMECFFJAGLF-HXUWFJFHSA-N 461.393 5.145 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1821986262 RIZHZBXOOURKFE-HXUWFJFHSA-N 483.494 5.128 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCCCCCC(=O)OC)[nH]n1 1822404975 SEXYQGDGIUULMQ-NRFANRHFSA-N 460.619 5.052 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)[nH]n2)c1 1823212898 YQZJKWYUOZSMOS-OHFYVQBDSA-N 485.510 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)[nH]n2)c1 1823216614 XSCCYBVASCDBTA-MHECFPHRSA-N 485.563 5.214 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCCCCCCCCC(=O)OC)CC2)C1 1823705023 LWSHCYQVYBZHSH-AREMUKBSSA-N 488.713 5.646 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1823807395 OCNNDITZYTUCTF-SANMLTNESA-N 489.019 5.169 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1824143295 KROQCUAMNCUTBK-QHCPKHFHSA-N 471.573 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 1824144004 VXNTTYRKNMLNPR-HHHXNRCGSA-N 472.633 5.145 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1)c1ccccc1 1826316648 DGQONTPYBQALGE-QLCOJLISSA-N 471.645 5.741 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)CC2)c1Cl 1826764518 UPVRTYWLZKTZMQ-LJQANCHMSA-N 481.946 5.178 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)c1 1827793862 YLPCSJIDTFUVDS-MHZLTWQESA-N 478.596 5.167 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1828267914 BETDTBFNHCYNML-OXQOHEQNSA-N 476.543 5.027 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1 1828904992 GXYQCSSTRPSXJF-HXUWFJFHSA-N 463.094 5.217 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ncccc2C)CC1)c1ccccc1 1829029592 CXXPSZSFOBJAKV-XRKRLSELSA-N 485.672 5.140 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)c1 1829958791 LAJKPSRHJPTQIX-JOCHJYFZSA-N 488.390 5.551 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831032015 VWFSYSWBLUQIOK-QFIPXVFZSA-N 488.554 5.009 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831927122 LECFSBCOXNVLST-QYBBCTCVSA-N 490.688 5.335 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711983 YVHPWOSFNCSAHN-JOCHJYFZSA-N 484.534 5.061 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832713513 UKPVBNDWELFEBX-FQEVSTJZSA-N 473.441 5.285 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(CC)cc2)c1C 10172688 USZLQQDVURRIPN-UHFFFAOYSA-O 478.638 5.326 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(C)c(C)c3)o2)cc1 10350701 UFJOWOOZEXPYQN-UHFFFAOYSA-N 463.607 5.239 30 20 JKED COc1ccc(/C=C2\N=C(SCc3cccc(C#N)c3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 11058403 HWDLNYXNCGSBKN-QRVIBDJDSA-N 489.984 5.906 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(C(=O)OCC)cc2)cc1 11252199 YAWUEKIHOUZJNM-UHFFFAOYSA-O 475.634 5.771 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2C2CCCCC2)cc1OC 11382688 WMVKWNRBOAJZID-QGZVFWFLSA-N 491.617 5.458 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(Cl)cc1Cl 15585227 XCIFDIZASYQQQE-UHFFFAOYSA-N 471.772 5.961 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 16674173 MGDWUXDURLQHNW-UHFFFAOYSA-N 487.604 5.009 30 20 JKED C=CCn1c(SCc2nc(-c3ccsc3)no2)nc2scc(-c3ccccc3)c2c1=O 16715389 QKWKYBLHGQHXLR-UHFFFAOYSA-N 464.597 5.715 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccc(F)cc1 16835755 DHWZWJWNMIJAHH-CQSZACIVSA-N 460.962 5.360 30 20 JKED C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16920077 JPVOPRQFFZPDSM-KBPBESRZSA-N 489.432 5.188 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(OCC)cc2)cc1 22731373 DOLLBBBHHJHXLF-UHFFFAOYSA-O 455.550 5.654 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)cc1 22802840 HXRRLYJDHUEHRO-UHFFFAOYSA-O 487.689 5.540 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23603482 ZPNQRCMKDDLSIP-UHFFFAOYSA-O 455.047 6.229 30 20 JKED N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCCc1ccccc1)c1ccccc1 24502614 VGENNFHKSGOEOG-UHFFFAOYSA-N 482.609 5.068 30 20 JKED C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 28786237 RZAVLRRKMMJDGP-FQEVSTJZSA-N 485.588 5.425 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1noc(-c2ccc(Cl)cc2)n1 29382787 SRQNKISKAAPNTN-UHFFFAOYSA-N 457.918 5.178 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1 32292142 RGYYPQNZEHOELR-UHFFFAOYSA-N 457.477 5.117 30 20 JKED C=CCN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 108261283 NKWDIXFQGASTEI-UHFFFAOYSA-N 497.407 5.560 30 20 JKED COc1cc([C@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)ccc1OC1CCCC1 117259948 WGDOQABALRRZHR-SFHVURJKSA-N 453.608 5.178 30 20 JKED N#C[C@@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc(-c2ccncc2)cs1 195662266 YKKIUNLOPOMBQJ-SFHVURJKSA-N 466.975 5.313 30 20 JKED O=C1CCc2cc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cc4ccccc4oc3=O)ccc2N1 209772894 XGCBNOCLHVJCFM-KAMYIIQDSA-N 487.515 5.427 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccn2)cc1 255571675 NGYIYFAXYKAZIB-QHCPKHFHSA-N 476.577 5.505 30 20 JKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)C1 303039905 ZPQWIVHJMYKSLF-AUSIDOKSSA-N 488.588 5.757 30 20 JKED CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 410412892 FXQDUTSRXRUCSN-FQEVSTJZSA-N 470.331 5.385 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCCN(Cc4cccs4)C3)cc2F)c1 481746948 VTWGXDQHYMQKSV-OAQYLSRUSA-N 478.593 5.372 30 20 JKED Cc1ccnc2sc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c(C)c12 487349628 CCIKMERXCQMJPT-UHFFFAOYSA-N 472.517 6.103 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)s2)cc1 487386273 MPXWBUQRURUPSG-UHFFFAOYSA-N 463.950 5.270 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(CSc3ccccn3)c2)nc2ccccc2c1=O 496514859 KCSYGTDWXRKXGL-UHFFFAOYSA-N 474.611 5.001 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 498450422 ZWELKTKSXYDLJX-KRWDZBQOSA-N 453.995 5.927 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(OCCCC#N)c1 498781390 RASJWPYSHHGBTD-INIZCTEOSA-N 455.967 5.938 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)nnc1-c1ccc(Cl)cc1 502194144 HUNNTOQBEOBRQH-UHFFFAOYSA-N 484.025 5.044 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(Cc2ccc(Cl)cc2)n1 506766070 YRRGKDHPSNUOPM-UHFFFAOYSA-N 474.099 5.486 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 508195221 ZQMSJZNVLGUNJS-UHFFFAOYSA-N 454.618 5.655 30 20 JKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509900740 SNVMNTJHUZMLDF-UHFFFAOYSA-N 454.574 5.596 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c2)cc1 509904611 JWXYJWULSJSOMW-HSZRJFAPSA-N 468.557 5.214 30 20 JKED C=CCn1c(SCc2cncc(Br)c2)nnc1-c1ccc(Br)cc1 510593594 RFEBEWWZXLQYKA-UHFFFAOYSA-N 466.202 5.343 30 20 JKED CCCOc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 511500680 YJUQXKCWAUFPME-SFHVURJKSA-N 472.545 5.491 30 20 JKED C=CCN(C(=O)c1cc(Cl)ccc1OC(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 512594592 BFHUBZJHHFOQLX-UHFFFAOYSA-N 491.034 5.487 30 20 JKED Cc1ccccc1-c1nnc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)n1Cc1ccco1 514486782 FBMIBTPNUPSVFB-UHFFFAOYSA-N 477.977 5.541 30 20 JKED COc1ccc(OC(F)F)c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 514574808 WQBKLSQJEZOYAC-UHFFFAOYSA-N 459.289 5.352 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3n2C(F)F)n(Cc2ccc(F)cc2)c1C 514723206 NRORVLLIKXMMJT-UHFFFAOYSA-N 483.519 5.640 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 517185608 HVWSGRUDVCISRZ-SANMLTNESA-N 471.532 5.181 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCc1cscn1 517800882 MXJIWSBUNSWRCS-IBGZPJMESA-N 472.551 5.216 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)(C)C)n2)cc1 517800964 SHVNDJGYOQVMNH-FQEVSTJZSA-N 485.613 5.994 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2Br)on1 518239674 KGXVDWCVHFDLNK-OAHLLOKOSA-N 486.391 5.971 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 518755872 PSSXQTXYSYFSCB-KXBFYZLASA-N 460.397 5.449 30 20 JKED Cc1cc(COc2ccc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)cc2Br)on1 519086923 GYQZTRWASAQTKO-UHFFFAOYSA-N 468.351 5.499 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(I)cc1Cl 520135593 XNUULZWNRXYCCG-UHFFFAOYSA-N 451.695 5.036 30 20 JKED COc1ccc(CN[C@H]2c3cc(Br)ccc3SC[C@H]2C)cc1OCCCC#N 520213744 RTWLKTJDBYCQRZ-IVZQSRNASA-N 461.425 5.713 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 520924468 XOPRPFFMELVFKU-IRXDYDNUSA-N 473.545 5.173 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 521733880 JRHMLAHZUHJLPD-UHFFFAOYSA-N 487.507 5.189 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 521800493 OFTZXLVPTCDDCP-IBGZPJMESA-N 497.580 6.023 30 20 JKED Cc1cc(NC(=O)Nc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1I 524697497 DBNUDOQRRKSYTO-UHFFFAOYSA-N 496.308 5.368 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1 594669455 XDEDVFUOWMUTTI-UHFFFAOYSA-N 464.974 5.248 30 20 JKED N#Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)sc2c1CCC2 602754401 CYGLGQHUMNKDHT-UHFFFAOYSA-N 482.348 5.468 30 20 JKED COc1ccc(CSCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 603766732 VNRIIYMYWLPKPW-FQEVSTJZSA-N 481.961 5.784 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 603972356 UJDDBNZKMHCDSE-UHFFFAOYSA-N 470.298 5.710 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 603977216 YKWHVQFXDZDYRG-OALUTQOASA-N 471.557 5.409 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)cc2)cc1 604457041 MHWXVQOPNLKHSE-UHFFFAOYSA-N 459.461 5.403 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)o1 604464653 HQQOTXSHCXOOIE-OSPHWJPCSA-N 455.514 5.197 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 608792707 YSSLAUSEPLCBRU-UHFFFAOYSA-N 470.592 5.321 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 609078629 DFSCNLCWCCYWAY-HXUWFJFHSA-N 466.545 5.251 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc2c(cc1Br)OCO2 609388141 MHENXSPGOJHHMP-CYBMUJFWSA-N 479.421 5.444 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)cc1NC(=O)c1ccc(Br)cc1 613292744 UMEGFBOFLKFBCT-OAQYLSRUSA-N 484.353 6.048 30 20 JKED C=CCn1c(SCC(=O)N(CC)[C@H](C)c2ccc(F)cc2)nc2sc(C)c(C)c2c1=O 613899884 AFJIAMHWSBUSGN-OAHLLOKOSA-N 459.612 5.102 30 20 JKED C=CCn1c(SCC(=O)N(CC(F)(F)F)C(C)C)nc2scc(-c3ccccc3)c2c1=O 613900269 LHNMEUVDEOAKDN-UHFFFAOYSA-N 481.565 5.202 30 20 JKED O=C(c1cccc(C(F)(F)F)n1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517758 OANKMRNQFHKQOU-AWEZNQCLSA-N 472.307 5.352 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2cccc(COC(C)(C)C)c2)C1=O 726105631 CQPYUAYBJPWAHM-NRFANRHFSA-N 488.053 5.231 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1F 726393177 MZEIRZDKMPKFPP-BFUOFWGJSA-N 481.952 5.004 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2CC(C)C)c1 726412521 RNIUCHLYIQVEJS-HXUWFJFHSA-N 484.419 5.047 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S/C2=N\[C@H](C)c2cccs2)n1 726421808 SBKSGELLQUENKM-JBWIOHFISA-N 482.606 5.181 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)Nc1ccc(C#N)c(Cl)c1 726570671 ICIIKTSWRSUEAK-UHFFFAOYSA-O 480.013 5.379 30 20 JKED COc1ccc(C)cc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1cccc(C)c1 726570734 JMNUITZJMCWWKI-UHFFFAOYSA-O 450.971 5.448 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)sc2C)cc1 726571280 QNTPZFBXVIHSIT-UHFFFAOYSA-O 469.055 6.453 30 20 JKED Cc1csc(SCc2c(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)oc3ccccc23)n1 727342431 KZNWFJDNSKCSGL-UHFFFAOYSA-N 489.626 5.156 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)cs1 727780186 IWMDRWUROAHJPX-WUXMJOGZSA-N 475.314 5.691 30 20 JKED COc1cc(/C=C/C(=O)c2sc(-c3ccc(Br)cc3)nc2C)ccc1OCC#N 727780912 WMJOBDUMERSPLN-YCRREMRBSA-N 469.360 5.688 30 20 JKED FC(F)(F)Oc1cccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c1 727971206 QABANONNVYPNCI-UHFFFAOYSA-N 463.268 5.233 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 728062483 KTKRULPCBVFGLI-HNNXBMFYSA-N 455.345 5.587 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(CCCCC#N)C1=O 728779430 ZRYBTJQKXKWNFP-QFIPXVFZSA-N 499.036 5.620 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729571819 MMCAUXAVJZQIEA-OFVILXPXSA-N 490.604 5.994 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(Cc3cocn3)C2=O)c1 730729545 NAZANADBBAOYQL-QHCPKHFHSA-N 492.601 5.239 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2cccs2)C1=O)Nc1cccc(O)c1 731305992 QYIJPOUVUUEKGM-HXUWFJFHSA-N 486.018 5.310 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1ccc(C)s1 731308470 LFSIIHDHHPYKLL-AOMKIAJQSA-N 495.626 5.492 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c1 743524945 MSGXFFFGDSJCNF-OAQYLSRUSA-N 484.528 5.039 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 749668530 ZZJXATDGEOMKRM-OFVILXPXSA-N 459.590 5.477 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)Nc4ccc(C#N)c(Cl)c4)cc3)o2)cc1 755211434 MLWQKADOGRCTFG-UHFFFAOYSA-N 472.888 5.033 30 20 JKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 779186489 XNEJFHXWDJOLJR-HNNXBMFYSA-N 495.944 5.596 30 20 JKED N#CCCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 797683905 MUHNLUVVISGKAH-UHFFFAOYSA-N 481.335 5.328 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CC(F)(F)F 799212649 ZTHCGJVAUHMPFS-MRXNPFEDSA-N 471.451 5.104 30 20 JKED COc1ccccc1/C=C(\C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 827608430 MUUROJRACTXKMQ-SZHLLGMXSA-N 472.566 5.228 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 834398083 ZGLJLELMGMMETB-FQEVSTJZSA-N 471.586 5.322 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N([C@@H](C)c2ccccn2)C1=O 837447697 ABHRCNOHKAIOGH-CYFREDJKSA-N 488.613 5.429 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccc(C)cc2)cn1 837875666 SYYQOEJIZYAVAW-HSZRJFAPSA-N 488.613 5.176 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2F)c1 875236020 PTQZBFYUIHMRFU-UHFFFAOYSA-N 479.360 5.766 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1F 914541426 SNWZHZSGCUYAOU-QHCPKHFHSA-N 477.561 5.133 30 20 JKED CCN1CCC[C@H]1Cn1c(C)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1C 914693694 LFUXFZFMPBGKKN-QFIPXVFZSA-N 457.047 5.009 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc2cc(C(F)(F)F)ccc2s1 915103731 DFKXUIQRUDIANG-AWEZNQCLSA-N 476.867 5.828 30 20 JKED Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1 915511896 HTXYQAGRZQXKPQ-UHFFFAOYSA-N 494.551 5.044 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C[C@H]2CCCO2)c1 916204762 BFOBBFNZBPHAOB-ZJSXRUAMSA-N 473.598 5.288 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 916206199 ONFROPYKJIKUFC-SFHVURJKSA-N 498.407 5.519 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 916207691 IVPJKRFQWXVMHC-QHCPKHFHSA-N 467.635 5.307 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1 916710585 LQMYKTJREDZCMV-XSMVLQQNSA-N 497.020 5.064 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)c12 916884291 WDKFJJJJMYNFBK-GOSISDBHSA-N 451.958 5.233 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCC(=O)c1ccc(CC(C)C)cc1 916898908 GFVAVUIJOQIKKZ-IBGZPJMESA-N 454.954 5.166 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916902148 VCNQLXQYZGFASQ-QGZVFWFLSA-N 478.892 5.270 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916918539 NBDMFKYINJGGGS-HXUWFJFHSA-N 460.331 5.282 30 20 JKED CCc1ccccc1N1C[C@H](C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1=O 917042226 DLTASHHIIVDRQQ-ZBFHGGJFSA-N 457.477 5.107 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc2cc(Cl)ccc2s1 917043627 LDUSZQQEXZPOMY-HNNXBMFYSA-N 488.819 6.255 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046180 HAPGTUNJZKWCBL-BXKDBHETSA-N 452.750 5.251 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N([C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917671102 LBYSOPCDWSANTH-LSQMVHIFSA-N 490.673 5.199 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O 917675190 GJQXUQOQKDAURR-JOCHJYFZSA-N 479.627 5.697 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 917700651 MZEMZIVSMBXXSM-XMMPIXPASA-N 484.556 5.534 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2cccc(Br)c2)cc1 918033614 DXPOXPAQOOTAGJ-JOCHJYFZSA-N 450.336 5.305 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918736361 UFLNKGJMAYVVIW-OKILXGFUSA-N 484.897 5.941 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)o1 919514089 NAVSNGUPVUZDSA-UHFFFAOYSA-N 482.517 5.717 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc2ccccc2n1C(F)F 920112536 DXGSVPMPJFFUOI-XMSQKQJNSA-N 482.490 5.232 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)c1 921254561 QBGQHGCNFKSQEZ-YLJYHZDGSA-N 493.551 5.231 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@@]3(CN(C(=O)c4cccc([C@H](C)C#N)c4)CCO3)C2)cc1 1781872442 NUQMSYMKLAJFSQ-IPBJYNAHSA-N 493.607 5.046 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cnc5ccoc5c4)CCC3)cc2)cc1 1785796822 PLXMIGRLBGVDCM-UHFFFAOYSA-N 464.525 5.080 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3cnc4ccccc4c3)cc2)CCC1 1786034740 IZUGWCSDSOIRRS-FQEVSTJZSA-N 472.589 5.102 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCCC)cc3)CCC2)cc1 1786366771 RDHYNNXJSZMWFH-UHFFFAOYSA-N 450.579 5.206 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)o1 1786491801 CMNLGRKLJKZFBT-UHFFFAOYSA-N 467.447 5.540 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5C(F)(F)F)[nH]n4)CCC3)cc2)CC1 1787878170 IKLRUEAOZVJMJH-UHFFFAOYSA-N 493.489 5.147 30 20 JKED CNc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)cc1 1788000115 MKMIKKBNGPNHIH-UHFFFAOYSA-N 493.489 5.075 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1 1788648811 SYHQWXHLRYHZBI-ZEWVGQQJSA-N 470.541 5.367 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CSc3ccccc3)CCC2)cc1 1788649361 JHGKJPJHYAZEJQ-BUHFOSPRSA-N 476.623 5.413 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1789467578 WJHPJWCHQXQBER-OAQYLSRUSA-N 466.585 5.126 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/Sc3ccc(C)cc3)cc2)CCC1 1789489356 TVDFDNXVDLUYOJ-QMEWPPBRSA-N 465.619 5.536 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC(F)(F)F)CCC2)cc1 1790519099 FNYKFJFTXWQKEE-LJQANCHMSA-N 497.558 5.323 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CCC2)cc1 1790568320 WACCVPUZNBWUPX-MYSJAJEPSA-N 453.627 5.528 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)CCCCCCC(=O)OC(C)(C)C)CCC2)cc1 1791577078 HAWLFGJEJIMBNA-GOSISDBHSA-N 462.656 5.121 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)c1 1792084109 QJCIXSAHHPULTR-UHFFFAOYSA-N 473.960 5.211 30 20 JKED CO[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1)c1ccccc1 1792122333 KEKIHCZBYHUZBS-FNZWTVRRSA-N 467.569 5.449 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccn5cncc5c4)CCC3)cc2)c1 1792125339 VTBVIHFKGJBHKU-LJQANCHMSA-N 463.541 5.023 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1792266400 UUSCQPNJKGUYRE-AGILITTLSA-N 493.648 5.102 30 20 JKED C[C@H](c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(C#N)cc2)cc1)C(F)(F)F 1792482910 WGDZZEDIFKPFNX-FUJBWUKOSA-N 497.561 5.038 30 20 JKED Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(F)c(C(F)(F)F)c2)C3)c(C(F)(F)F)o1 1795139662 BJNBMTNZHDZNJY-BTTYYORXSA-N 492.391 5.330 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(ccc4ncccc43)s2)c1 1799123271 TXHLLSQOGDCHJN-BCDXTJNWSA-N 484.556 5.026 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4occc4n2-c2ccccc2)C3)c1Cl 1799303283 OISJBLAPJOGWDE-NUZGMZIFSA-N 498.970 5.314 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)cc1 1800010971 QAYRPBXMCRBVEV-ADYITMSISA-N 487.003 5.065 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1801694606 YJXZRQMPPYYKAQ-NUNAXRQHSA-N 475.539 5.365 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1802627784 WOKRRWBWQHYHCS-BKFWDETESA-N 465.597 5.347 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1803081847 IQFAYKPVUQSXRE-GGXMVOPNSA-N 494.639 5.540 30 20 JKED Cc1csc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)C2)c1 1807050189 FQNLDIXYFGLOQF-NRFANRHFSA-N 463.647 5.161 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1809100134 BYDXZHSLEBNBPY-URXFXBBRSA-N 474.630 5.088 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1809673648 SNYXFMYIWLXMMN-AUSIDOKSSA-N 498.961 5.123 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1810170909 ADECBIFVBKSJNS-HWHXTQLESA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1810183262 UKTKJKYXDPFXOQ-TZBSWOFLSA-N 480.678 5.359 30 20 JKED Cc1scc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1C 1810275303 UAEAQOHQKSZLKA-RDGATRHJSA-N 481.738 5.131 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2C2CC2)[C@@H]1c1cccnc1 1810277047 KYZVNHQMMSDHDT-UFHPHHKVSA-N 487.720 5.330 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810719378 UVMFMICBMGFETN-VAVYLYDRSA-N 499.611 5.176 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1Cl 1811735410 ZUYGWBKFXGOMEJ-YKSBVNFPSA-N 493.394 5.202 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1811954834 OLPQOSSFTOPCBL-ZEQKJWHPSA-N 487.003 5.363 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1812589324 AROMIDAVDHJVCS-XPIZARPCSA-N 479.930 5.286 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813231903 ZTPHVVSIBZJZII-WZONZLPQSA-N 491.941 5.267 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)[nH]n2)C1 1814398864 XMOBILYVNZEQSI-GOSISDBHSA-N 451.329 5.128 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1814412018 PUYKHBMUEQEVKE-MCZXBBPFSA-N 480.615 5.067 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1815216266 RDHWUIRLWZTXGO-NBGIEHNGSA-N 497.599 5.226 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1 1815847413 ZIBWANDDCOXHOT-ZIAGYGMSSA-N 487.050 5.400 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc5occc5c4)sc3C2)c1 1818455980 OLCCPIQZYYKCDS-YWZLYKJASA-N 470.554 5.056 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985122 BUZQHSKOTCQSEZ-SFHVURJKSA-N 495.452 5.427 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2)[nH]n1 1819309249 PXFCDNDVMLRAAB-AZUAARDMSA-N 458.509 5.085 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1 1820903111 DWQOMXUIZAPKNF-SCTAXSCYSA-N 499.656 5.008 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821071819 KFXBWXHYPMAMBU-KRWDZBQOSA-N 497.846 5.051 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)n[nH]1 1821226156 XEMJIDGMGSMUQB-CJFMBICVSA-N 487.604 5.492 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(C#N)ccc4F)n[nH]3)cc12 1821271987 TVJBGKDYQXNOFM-SFHVURJKSA-N 494.577 5.020 30 20 JKED Cc1cc(F)c(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1821334181 MUPPLSRUIKWRLX-AOMKIAJQSA-N 477.515 5.243 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3c(F)c(F)ccc3c2)n[nH]1 1821548232 LHTBHICFHBZSAA-RXVVDRJESA-N 479.531 5.310 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2c[nH]c3ccc(F)cc23)n[nH]1 1822257723 HISIZLYHHZKBNR-HYBUGGRVSA-N 477.584 5.423 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)[nH]n1 1822581215 GROBTEJHFSGWBU-OAQYLSRUSA-N 499.949 5.389 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cccs3)[nH]n2)c1 1823212641 QEHSMPCUYCYWBU-BVFJVTDLSA-N 459.575 5.118 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1Cl 1823215804 FWRCJOQLBPIFLW-KSFYIVLOSA-N 491.979 5.318 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)[nH]n1 1823421873 HKQSHSKOEBVEBM-LEAFIULHSA-N 491.680 5.171 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CC2)C1 1823703135 OUMBUICBXUQJHG-YADARESESA-N 476.583 5.481 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824159443 ACDCMRPYHVZUDT-HSZRJFAPSA-N 488.028 5.179 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1824243274 POGRUQJSBKJCCU-XRKRLSELSA-N 489.635 5.299 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824838894 BDFGZJDTXFXXRH-GJXZLSSDSA-N 482.612 5.293 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1824961951 AXMHNIPYZWHXRU-HXUWFJFHSA-N 473.441 5.285 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3ccccc3)n2)CC1 1827763108 IADYXIUJROJFDQ-XMMPIXPASA-N 467.560 5.193 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1Cl 1827773583 WWKRCPIETUNHEV-FQEVSTJZSA-N 492.929 5.106 30 20 JKED Cn1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc2ccccc21 1827994679 HQGMZZLPDCUHQK-AREMUKBSSA-N 491.752 5.463 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828320996 CZLKNVGBSKKZPV-OAQYLSRUSA-N 457.039 5.592 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1829066673 QNHINCTUPYVEBG-VWLOTQADSA-N 493.648 5.576 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1829068710 LXOPELLKWXLKGJ-DEOSSOPVSA-N 485.072 5.371 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1829680564 CETPVERDGKNXQI-RUZDIDTESA-N 480.052 5.576 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685328 BMCABCUXTGQANG-FQEVSTJZSA-N 486.037 5.219 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccs3)CC2)c1Cl 1829687648 DHAWPANADFGKLG-QFIPXVFZSA-N 470.038 5.139 30 20 JKED Cn1ccc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)c21 1829689934 DPEMETSUBXSQIL-XMMPIXPASA-N 489.019 5.250 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCCn3cccc3)CC2)c1Cl 1829690159 MYMDAXWODUNOFR-XMMPIXPASA-N 481.040 5.117 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274699 HWQRLUMCZFSDPC-ITSWEJNFSA-N 488.097 5.179 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830472126 PNVUWMXSMFJEHD-DEOSSOPVSA-N 491.072 5.343 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)ccc1O 1830550051 JCWMQDAHSFMBRQ-HSZRJFAPSA-N 499.533 5.138 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830979117 SWZFLUYZSQRMQG-URXFXBBRSA-N 468.663 5.016 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1831225794 OUXXWMPAHUDGKC-FPOVZHCZSA-N 464.984 5.201 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1831444866 XIXUSRGJWXUYOL-JCKUYFFHSA-N 455.549 5.012 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1831842081 IMDOFZUNURBWNS-ZHRRBRCNSA-N 489.479 5.154 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1)C(F)(F)F 1831969397 NOGHAHMKILFPND-SQUSKLHYSA-N 499.371 5.201 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1cccs1 1832146176 IWIACJBEGZGJNB-UTKZUKDTSA-N 470.038 5.310 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H]2CCOC2)CC1 1832455805 PTKXZBWEHIAYBA-OFSOJUDTSA-N 498.667 5.136 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c1 1832635640 NFHHFLLVXZPYQD-BCRDXEFLSA-N 461.650 5.517 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1832822750 OEOUDNUENCFPJV-QVKCHMKDSA-N 469.069 5.647 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3C3CC3)CC2)CC1)c1ccccc1 1838417800 JQQMFHBYXUBGOT-LJAQVGFWSA-N 498.667 5.373 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)c1 1844655032 LZMQTYVZKMNQNK-IBGZPJMESA-N 494.620 5.654 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)C1 1845280033 JGLPSZCUHHYZOB-JWQCQUIFSA-N 464.556 5.470 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 8750143 SGZLQVSWHJWFKK-UHFFFAOYSA-N 495.391 5.354 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccccc2OC)cc1 10118353 KXLJJPMUXNHKLQ-UHFFFAOYSA-O 467.680 6.616 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(CC)cc2)c1C 10173348 QBNVDSNEOUIEMJ-UHFFFAOYSA-O 464.611 5.017 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)n1 10399499 JKTATJHGSSQHMX-UHFFFAOYSA-N 453.795 5.684 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2)c1C 10836809 BCUJCUKSFPXDRE-UHFFFAOYSA-O 477.393 5.063 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc3c(c2)CCCC3)cc1C 14872553 ROFWJZBYPIOHTM-UHFFFAOYSA-O 499.578 6.419 30 20 JKED COc1cccc(NCc2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2C2CCCCC2)c1 17145191 ARDWWDPXXZRENT-UHFFFAOYSA-N 490.633 5.201 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccnc2Cl)nc2cc(-c3ccccc3)sc2c1=O 18519618 TXGZWVOYUDMUPW-CQSZACIVSA-N 483.018 5.479 30 20 JKED C[C@@](C#N)(NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)C1CC1 21458726 GFGUBWHHCIZARR-ZOHFHMECSA-N 471.582 5.138 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3ccc(SC(F)(F)F)cc3)n2)n[nH]c1=S 23041900 IKEVXRFKIIRYBU-UHFFFAOYSA-N 457.528 5.038 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 24612498 KRCPPRDVABNATD-UHFFFAOYSA-N 492.623 5.382 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1OC 26796083 BUYYULZMFWPKJQ-CQSZACIVSA-N 462.497 5.278 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28610624 DCJFDRWOQHKDLU-UHFFFAOYSA-N 479.602 5.798 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1 32289353 SZEONXHKFCVYCP-QFIPXVFZSA-N 454.530 5.020 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)nn2-c2ccccc2)cc1 195662662 SDYKYBIXOOFWSQ-QFIPXVFZSA-N 477.549 5.556 30 20 JKED CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 302932239 HBVOCEYOLPJVCR-SIKLNZKXSA-N 451.979 5.450 30 20 JKED CCn1c(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)nnc1-c1cccc(C)c1 303129511 BQKKGEKIJMWJPR-UHFFFAOYSA-N 497.624 5.763 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 480245713 CCHVVOUDZHCASX-HSZRJFAPSA-N 484.600 5.414 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)n2)cc1 481828188 BZRFHIVODLQKMQ-IBGZPJMESA-N 480.471 5.317 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 490647978 KTHJERPVIKXFFV-HXUWFJFHSA-N 473.598 5.339 30 20 JKED N#C[C@@H](C(=O)c1cc2cc(Br)cc(Br)c2o1)c1nc2ccccc2[nH]1 492633544 WLUKNWSYVGMQOT-NSHDSACASA-N 459.097 5.324 30 20 JKED O=C(Nc1cccc(OC(F)(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 494650032 VJEVCCHYHNPFJB-UHFFFAOYSA-N 483.290 6.061 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 495090598 QLWWMJLZILPKGP-JOCHJYFZSA-N 474.630 5.427 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)cc1 500754299 MTUJOYRALGSWDR-QHCPKHFHSA-N 453.542 5.458 30 20 JKED COc1ccc(CC2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC2)cc1 506645308 YIMNIKSAWITYPF-UHFFFAOYSA-N 468.557 5.306 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 508385810 IQVMETYUUHGSCY-FOIQADDNSA-N 464.418 5.669 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 511763793 VDVUBKASEGJRLA-UHFFFAOYSA-N 499.954 5.207 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1C(C)C 512962364 POFRNNSWGCSCAA-KRWDZBQOSA-N 471.026 5.939 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)cs1 514547812 CTTYRGAZKXDYSY-KRWDZBQOSA-N 497.580 5.302 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2CCC(C)C)c1 514849055 NRHDNVXIRIYNAL-UHFFFAOYSA-N 487.025 5.216 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc(-c3ccco3)n2CC(C)C)n(Cc2ccco2)c1C 514908934 RBJIGZLJTPUTFN-UHFFFAOYSA-N 492.605 5.246 30 20 JKED Cc1nc(NC(=O)c2ccccc2OCc2ccc(Br)cc2)sc1SCC#N 515297931 ISFCISWSDNEVPR-UHFFFAOYSA-N 474.405 5.661 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccco1 515341066 UXOIUIMCSVWAQR-DOADOZAASA-N 461.591 5.528 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 515970737 BWOMKJTYRJTKQW-UHFFFAOYSA-N 496.354 5.011 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CSc4ccccc4)cc3)n2)cc1 516270329 SDENSMBKXQTFHI-QHCPKHFHSA-N 451.576 6.464 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 516286783 BDCZQRFRVHMLIK-UHFFFAOYSA-N 497.473 5.365 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OCC 517800739 FUXHYYNWXMEIOB-SFHVURJKSA-N 465.962 6.013 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 517967692 JLCMJSSXWLRTBQ-UHFFFAOYSA-N 483.616 5.012 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccc(F)cc2)cc1 520004482 LWMYNSGSHRPKNE-HHHXNRCGSA-N 495.510 5.343 30 20 JKED CC(C)c1nccn1Cc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 520358032 BIRUOOIZRDHMOH-UHFFFAOYSA-N 466.610 6.471 30 20 JKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc(-c2c(F)cccc2F)cs1 521261078 NEGBOCDZQZVAIL-LBPRGKRZSA-N 483.374 5.428 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521324513 WLVZAFXNJWEDAS-GOSISDBHSA-N 480.611 5.654 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1[N+](=O)[O-])c1ccccn1 521495187 ODSIHSVXINOGQT-SFHVURJKSA-N 479.496 6.079 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 521799657 DKMKDYUIEZBWNZ-KRWDZBQOSA-N 457.555 5.249 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 521807462 MOYKMTCKATXBIX-AUUYWEPGSA-N 462.402 5.690 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1Cl 523378904 UJPUUROILYUTHU-OAQYLSRUSA-N 487.968 6.029 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1n[nH]c(-c2ccccc2)c1Br 524119911 PKTWGYKWAIUKOD-UHFFFAOYSA-N 487.357 5.851 30 20 JKED N#Cc1cc2c(nc1SCC(=O)N1N=C(c3cccs3)C[C@H]1c1cccs1)CCCC2 585688516 QYPUJSMSSDHTRA-IBGZPJMESA-N 464.641 5.425 30 20 JKED C=CCn1c(SC[C@H](O)COc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 588635958 OGYWWTFMZUZZDD-CYBMUJFWSA-N 454.354 5.109 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)o2)cc1 590388783 TYXJRMKYHIWXSL-KRWDZBQOSA-N 461.449 5.622 30 20 JKED CSc1ccc(C(=O)c2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] 600841015 GDYMIFDZWMGIPW-UHFFFAOYSA-N 477.567 5.612 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)c3c4c(nc5ccccc35)/C(=C\c3ccco3)CC4)CC2)cc1 603458693 AKJMIZUJGFXVPX-NKFKGCMQSA-N 474.564 5.144 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4ccc(Cl)s4)on3)s2)cc1 603637242 QTJLSCFJSSTMPJ-UHFFFAOYSA-N 459.965 5.324 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)cn2)c1 603740216 XEMWWVPEYCJMIY-KRWDZBQOSA-N 467.451 5.014 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)CC1 603992708 VSWHQEFAZRXVQZ-UHFFFAOYSA-N 495.564 5.360 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)cc1 604089817 LXBWCRKEPGHHMS-UHFFFAOYSA-N 471.948 5.225 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc(OC)c1OC 604090337 VEOPAKJELJQWNF-HNNXBMFYSA-N 481.936 5.912 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(c4nc5ccccc5s4)C3)cn2)c1 604101062 ZLBMKRXGHCGLLL-SFHVURJKSA-N 455.543 5.210 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)n2)ccc1F 604118481 ZTAFEEGOFYQIBH-UHFFFAOYSA-N 458.518 5.454 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 604135669 QKLWYRUVQHHYDX-SANMLTNESA-N 455.558 5.174 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccnc1SCc1ccc(C(N)=O)cc1 608876324 KIOJDEOXGOGFQV-UHFFFAOYSA-N 495.564 5.093 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCCc1c(Cl)cccc1Cl 609089454 QLZPRMCXRFLVKJ-UHFFFAOYSA-N 482.367 5.050 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)o2)cc1 609378361 GRCGNNFPEGFGOS-UHFFFAOYSA-N 475.492 5.946 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1cccc(C(F)(F)F)c1 609428327 MDGCPOGFPXNEQR-OAHLLOKOSA-N 472.492 5.206 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCN(Cc2c(F)cccc2Cl)CC1 612804893 DWIODDJOJOBIIB-CHWSQXEVSA-N 489.863 5.216 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 613404445 RATBESWGOQWWJG-OAQYLSRUSA-N 497.505 5.842 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)nnc1-c1ccccc1OC 613933459 XCDLDJDNVWTGJL-QHCPKHFHSA-N 492.645 5.384 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1OC 617996435 ROGMQFJAHFNBTO-IAGOWNOFSA-N 462.575 5.244 30 20 JKED O=C(Nc1ccc(OC(F)F)c2ncccc12)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542581 YWFCMBPUFSJYLO-NXEZZACHSA-N 457.321 5.431 30 20 JKED C=CCn1c(SCC(=O)NC2(c3ccc(F)cc3)CCC2)nnc1-c1ccc(Cl)cc1 620093589 CYRBJWBUMZBPKL-UHFFFAOYSA-N 456.974 5.211 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2sccc2C)cn1 726116516 FUUCFMMVBYKFJG-HXUWFJFHSA-N 481.647 5.050 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)c1 726395907 NUMSENUNGCVHSD-OAQYLSRUSA-N 499.589 5.065 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccsc2)cc1F 726411730 NNOARPIJQOZPCY-NRFANRHFSA-N 483.590 5.365 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\[C@H](C)c1cccs1 726421980 RAGJFOJOHPVSNJ-GKNNHBICSA-N 478.437 5.047 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Br)c2)[n+]2ccc(CCC)cc2)c1 726573815 RGOYUBGTLZRZLV-UHFFFAOYSA-O 478.435 5.994 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 726695331 DACBBHRZWNLEOY-DHLKQENFSA-N 481.531 5.943 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2cccc(OCCCC#N)c2)C(=O)c2ccccc2)c(Cl)c1 726743812 PZPQBTOUSKKHII-HKOYGPOVSA-N 472.972 6.544 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)cc1OC 726858482 MLAFWEJSURUQBR-GOSISDBHSA-N 460.555 5.227 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cc(C)sc2C)cc1Cl 726889547 FDEHDTSFBPQUOJ-ZUOKHONESA-N 492.066 5.388 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(OC)nc2)s1 726890350 VUJDAAZVHDEHCN-FQEVSTJZSA-N 498.605 5.014 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1csc(-c2ccc3c(c2)OCO3)n1 728427651 GZVCMVUXBZSPCS-UHFFFAOYSA-N 476.370 5.275 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(Cl)ccc(C)c1Cl 728428658 ABRZGJFFMVTGGX-MRXNPFEDSA-N 464.349 5.034 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)c(Cl)c1 728777379 KQKXJVVUBBVYRG-LJQANCHMSA-N 493.391 5.787 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)c1 728778207 RMSFNKYUZCZHHC-HXUWFJFHSA-N 488.972 5.142 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729143960 SYVPQIOZZRWEBQ-FPOVZHCZSA-N 459.974 5.088 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cocn3)C2=O)cc1 730716694 YHCMZRWXXSXUBQ-HSZRJFAPSA-N 492.601 5.241 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1 730943983 PCXAKWIUGSDGBC-HTAPYJJXSA-N 479.005 5.134 30 20 JKED CC(C)n1c2ccccc2n2c(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)nnc12 731029698 GCYCGEZFYIKFDB-INIZCTEOSA-N 464.620 5.247 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)c(OC)c1 731151106 LUJVBTKYYHENQF-UHFFFAOYSA-N 497.024 5.405 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c1C 731307213 FZCZOTBAUWTCHV-OAQYLSRUSA-N 465.600 5.231 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccsc1 731309466 UBDPXCOLZOZBQC-OAQYLSRUSA-N 465.600 5.177 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 731399997 KDCJNYYAROZKQD-APWZRJJASA-N 458.425 6.082 30 20 JKED O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1cccc(N2CCOC2=O)c1 745626425 PCSMBVHDNRWHDI-FPLPWBNLSA-N 455.333 5.425 30 20 JKED COc1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2)ccc1OCC(=O)Nc1ccccc1Cl 746348467 PLWLELJKNMSSFE-ACCUITESSA-N 487.943 5.448 30 20 JKED COc1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)ccc1OCc1ccc(Cl)cc1 747337189 YVJVBSVZTUJOGA-UHFFFAOYSA-N 475.976 5.198 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 747473983 CPPNOCVMGRDHTP-UHFFFAOYSA-N 467.576 5.301 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c(C)c1 747599667 LEQKGQRWWWDKSZ-FQEVSTJZSA-N 482.606 5.102 30 20 JKED C/C(=C/C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(C(F)(F)F)cc1 748392029 NXDLYYBOSAPZLR-PTNGSMBKSA-N 485.462 5.222 30 20 JKED CC(=O)N(c1nc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)cs1)c1ccc(F)cc1F 750915254 COGFIUAQPHWPNA-RIYZIHGNSA-N 492.519 6.633 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 837422749 AIEOVJILQBXUFX-FDDCHVKYSA-N 476.577 5.559 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837545539 BEWSCFAHYIOZFU-MBSDFSHPSA-N 474.586 5.202 30 20 JKED COc1cc2c(cc1OC)CN(Cc1ccccc1NCc1cc(C#N)ccc1Br)CC2 864007883 YDZVNETWDQQRMW-UHFFFAOYSA-N 492.417 5.508 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)Cc3ccco3)C2=O)cc1 914694592 PBPHIXGLUHNZJC-SBUREZEXSA-N 475.570 5.074 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101970 PCCKBVWYEYSCPG-HNNXBMFYSA-N 485.015 5.653 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)CSCC#N)c2C#N)C(C)(C)C1 915387305 GUGNIUQSBWFTRK-SNAWJCMRSA-N 497.667 5.506 30 20 JKED CCOC(=O)CCc1c(C)c(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c2ccccn12 915945830 XFXSWMPIWKYOQN-UHFFFAOYSA-N 498.608 5.372 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3cc(F)ccc3F)cc2OC)cc1 916134908 SORSALKZHFOMSP-QCDXTXTGSA-N 467.468 5.286 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccc(F)cc2)c1 916209659 PVWIBKVKKZSGAJ-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)cc1 916214514 NUJSMTWIDXLKEV-NRFANRHFSA-N 473.545 5.266 30 20 JKED CNC(=O)c1ccc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 916684006 RPBNRBYABAZWMX-DEOSSOPVSA-N 472.976 5.552 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)cc1 916686436 KCFZWCGHGFJRFB-SANMLTNESA-N 471.557 5.250 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916885996 BLQXUHTZIGKQAA-SFHVURJKSA-N 475.517 5.238 30 20 JKED Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1C 916887159 MRZDKPKCFRSFIS-GOSISDBHSA-N 486.569 5.244 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 916910828 CDYMGZXZWLWNEE-FQEVSTJZSA-N 476.920 5.384 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 916919169 SWYJRTPQDAQEOQ-JOCHJYFZSA-N 455.539 5.252 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916919602 YEIPOWSLAWSWRQ-QHCPKHFHSA-N 451.457 5.192 30 20 JKED N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928309 JNALKXKHIGTQAI-VIFPVBQESA-N 466.535 5.680 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Br)n2)cc1 916974037 DVURIWIZCHBDAB-QGZVFWFLSA-N 455.377 5.917 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 916976451 OLMPIBXASDPZEM-QGZVFWFLSA-N 482.974 5.493 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 917380140 WFNMHTRGPMZCEJ-QFIPXVFZSA-N 473.989 5.264 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 917524522 KFUZUGMHRLHNFC-UHFFFAOYSA-N 498.048 5.060 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cs1 917560242 UDWYLGUXKZKZKS-DHZHZOJOSA-N 492.940 6.335 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cs1 917561553 HCDRXXDTKRHLOW-WDZFZDKYSA-N 467.978 5.214 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 917635388 KEWVQXNMUUBWDN-AWEZNQCLSA-N 462.280 5.260 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)c(C)c2)n1 917660923 QYJCGHQPSONQGG-HSZRJFAPSA-N 458.587 5.167 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1C 917665700 KERSNQFNESPXGK-NRFANRHFSA-N 474.026 5.262 30 20 JKED CC(C)Oc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)c1 917701932 BGVZQGINGKQHKP-RUZDIDTESA-N 498.608 5.506 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(N(C)C)cc3)C2=O)cc1 917704882 YYIRJZLDUADBJW-VWLOTQADSA-N 497.624 5.093 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)n2)cc1 920138871 LMRCWBDBAMAPMA-JOCHJYFZSA-N 495.560 5.225 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 920140835 BWEVSKCVGLZIGP-QHCPKHFHSA-N 468.534 5.305 30 20 JKED COc1cc(C=NN[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 920385358 AXPDULKCRDYAOZ-QGZVFWFLSA-N 471.479 5.416 30 20 JKED COc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)ccc1OCCOc1cccc(Br)c1 920832740 VZIPBPHCCIJYTK-CSKARUKUSA-N 485.378 5.162 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CCO2)C1 1778877002 MDDAWLSRTDOILF-IAOIPLGRSA-N 485.068 5.212 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCSCc2ccc(C)cc2)C1 1782083792 OLNUZOHRYVSXPM-UFHPHHKVSA-N 486.722 5.125 30 20 JKED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)c(F)c3)CCC2)cc1 1785840064 WUZKZPSQSDNEPM-NXVVXOECSA-N 497.570 5.099 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccc(C(F)(F)F)cc5)[nH]n4)cc3)CCC2)CC1 1787110464 RSHYJBOSQTZNPC-UHFFFAOYSA-N 493.489 5.147 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1 1787658733 SXUGOZNFLQKZDH-NRFANRHFSA-N 471.642 5.416 30 20 JKED C[C@H](Sc1ccccc1)C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789573923 IJIXDXYFTMHEDA-VEMGOHLESA-N 461.587 5.013 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)F)no3)CCC2)cc1)c1ccccc1 1789600580 OCVKWYBGFYYUCO-OAQYLSRUSA-N 477.511 5.557 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)COc3ccc(OC)cc3)CCC2)cc1 1789622617 UJGCPDJQSUPZBQ-UHFFFAOYSA-N 450.579 5.201 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c(C)n1C 1789975440 GJXTVRNJBKSCKO-UHFFFAOYSA-N 460.965 5.229 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(F)nc4)CCC3)cc2)c1Cl 1790081699 DPASTMRUNKHWFH-UHFFFAOYSA-N 476.939 5.126 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5s4)CCC3)cc2)c(C#N)c1 1790472970 DQBTYXACXSIRHM-UHFFFAOYSA-N 496.592 5.167 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ccccc4c3)CCC2)cc1 1790565146 PVLLAGMHXUMOBV-FQEVSTJZSA-N 457.574 5.317 30 20 JKED CCOc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)c1 1790764679 DGDJRYNBDWUUDR-UHFFFAOYSA-N 457.505 5.158 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)c(Cl)c1 1790767642 CMARTIBAINNZJM-UHFFFAOYSA-N 454.313 5.520 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790837446 UZTBJHYEOCTVMM-QGZVFWFLSA-N 463.965 5.227 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(Br)cnc5s4)cc3)CCC2)C1 1790987604 VHHJVLRYWWTLOP-UHFFFAOYSA-N 496.430 5.773 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791526539 XJCDJMDEZXDUNT-FQEVSTJZSA-N 493.595 5.129 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(F)CCCCC1(F)F)c1cccc(C(F)(F)F)c1F 1797804174 CLTGHCUOYLRVML-PSUSHLJKSA-N 480.424 5.014 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1798419783 KPZLPXBAJXIBGL-NUNAXRQHSA-N 497.111 5.903 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)ccc1OCC)C2)c1ccccc1 1798556950 OZJMKZAEPUXEGD-UEQSERJNSA-N 479.020 5.188 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800504674 FRAJJHBPNMKFPK-YMMWUDQKSA-N 478.592 5.343 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)ccc1OCC)c1ccccc1 1800507842 PXVOUJAMZVZRBJ-KIHHCIJBSA-N 479.020 5.188 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cc(Cl)ccc2Cl)c1 1801470954 RBGNMKPJDIASFF-LTFXSFKNSA-N 484.427 5.505 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1802492951 SLFSXDCYWPRLSJ-RDPSFJRHSA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(F)c(F)c3)CC2)[C@@H]1c1cccnc1 1802494927 HZFAHHGGOLUDEB-GBXCKJPGSA-N 481.587 5.090 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1802740545 XPOCIVPZIFNQTE-FRPAHBMMSA-N 487.003 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1803085032 XLJCXBYWEPKXRV-RSXGOPAZSA-N 487.644 5.273 30 20 JKED Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)C2)cc1C 1806637762 YHOMTHBUZJZTOJ-QHCPKHFHSA-N 457.618 5.018 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccccc4Cl)C3)CC2)c1 1809227729 HASNFLKQDVPUED-HXUWFJFHSA-N 464.009 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1810430940 MSSRKUVJGGEGGS-BKMJKUGQSA-N 493.623 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1810503169 OQLRSWJDEOQNAJ-YNJKOYDBSA-N 458.606 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810504079 WMLYVSMBGAUAFD-SVBPBHIXSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)no2)[C@H]1c1cccnc1 1810858895 XHUOHWVOSWPBBV-WIOPSUGQSA-N 472.589 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1811831514 GUDYUCMCTLRSLJ-DENIHFKCSA-N 474.432 5.700 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1812808016 UJMQLMCAKVYHKZ-DUFKRMHYSA-N 488.676 6.025 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1 1812810188 ZEGDXBRXZVNVMF-VPUSJEBWSA-N 474.649 5.464 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(C)cc(C)c2)[C@H]1c1cccnc1 1813242752 NZPJMMITMBLFSJ-ZRRKCSAHSA-N 459.634 5.105 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccnc3C(C)(C)C)[C@@H]2c2cccnc2)c1 1813867541 FKDJEZZJZKVBHD-OLLUBJOZSA-N 495.627 5.035 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)[nH]n2)C1 1814397132 CYPIOFPWZXTXBQ-GOSISDBHSA-N 466.891 5.354 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCc3ccccc3F)[nH]n2)c1 1814735476 RTKKRTJKYISLOC-RUZDIDTESA-N 487.579 5.068 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c1 1814739812 HOMIZDSNADEHCZ-QFIPXVFZSA-N 479.943 5.013 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCOc2ccccc2)n[nH]1)c1ccccc1 1816790375 UBMXIAYMCDQFJW-AOYPEHQESA-N 484.600 5.068 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817741317 FTZHRIOECXZWNO-QFIPXVFZSA-N 475.618 5.005 30 20 JKED Cc1cc2cccc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)c2[nH]1 1818366327 STASTTIZINDWTB-MGPUTAFESA-N 483.597 5.100 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(F)CCCCC3)n[nH]2)c1 1818883209 DVLSNHPTRAJIGO-UWJYYQICSA-N 451.546 5.015 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)n[nH]2)c1 1818931148 IUUBTMFZZGPFRZ-PWSZPPJVSA-N 477.584 5.333 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)[nH]n1 1819305100 CUEDDIGZSWXUPL-CRAIPNDOSA-N 469.636 5.464 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)[nH]n1 1819557083 WXTIVXASFCNIIE-RPWUZVMVSA-N 477.653 5.059 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091499 JIVQGDAXOALMAX-UWJYYQICSA-N 471.561 5.669 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4c(ccc5ncccc54)s3)n[nH]2)CCC1 1820095655 IIJQWWBWMGZGJR-FQEVSTJZSA-N 484.585 5.172 30 20 JKED COc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)cc2ccccc2c1Cl 1820238352 ZTDUXMDCHZOBAE-FQEVSTJZSA-N 491.979 5.225 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820317204 ZSRBNIVYLYZZGZ-VGOFRKELSA-N 461.541 5.129 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)[nH]n2)cc1 1820547351 LPYCROFGDIHRRX-QFIPXVFZSA-N 484.947 5.103 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c(F)c1F 1821279380 AZDTZGMRYURWRO-LJQANCHMSA-N 483.906 5.141 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1 1821983824 ARCWICVIFHVRIP-OAQYLSRUSA-N 467.520 5.231 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1)C(F)(F)F 1821992958 NWDCKMJLTYDVCK-HXUWFJFHSA-N 484.478 5.626 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccccc3F)[nH]n2)c1 1823216595 XGGFFFOTGSVZKC-MHECFPHRSA-N 473.552 5.115 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)[nH]n1 1823419646 CGUBJVVXDVSYSC-OAQYLSRUSA-N 479.378 5.045 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)c2ccccc12 1823605725 ZUNNKRHRPCVLAN-XMMPIXPASA-N 469.589 5.190 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)CC1 1824144734 DSAUADZIZHWGEX-VSGBNLITSA-N 479.709 5.458 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 1824145344 WRDPJNBZOHGCEO-UIOOFZCWSA-N 486.100 5.331 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSC3CCCC3)CC2)c(Cl)c1 1824476775 CQRFFFBSVLXHKM-HSZRJFAPSA-N 474.070 5.121 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827263890 ZNYGUCMLPLHFFO-IBGZPJMESA-N 478.083 5.102 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)c2[nH]1 1827682608 HPMRFZOVXICQAQ-BREAQWACSA-N 489.641 5.210 30 20 JKED COc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c2c1 1828140456 JOWDZXJVRUNREH-MMTVBGGISA-N 498.627 5.351 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1828339979 VKNGITYRCBUUMC-AREMUKBSSA-N 490.047 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1828825629 ZDJAVDVIDPDOLX-RDGATRHJSA-N 481.040 5.285 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1828827199 TXELLPGLLIFGTI-OZXSUGGESA-N 495.067 5.732 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)c1 1829677168 JNRRCUOFXYFLKI-DPPGTGKWSA-N 479.665 5.263 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1829708051 SFRMSEVBHCYKFN-SANMLTNESA-N 493.047 5.566 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829747985 QUEIDEINRSPVMU-OZXSUGGESA-N 460.622 5.078 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](S)C(C)C)CC1 1829783880 NTNZFBJPZBIRKR-WMZOPIPTSA-N 487.529 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)CC1 1829822327 YBTOZACQQDCPRV-ISKFKSNPSA-N 454.659 5.028 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829998887 QOCGARHNUFGIQU-DHIUTWEWSA-N 462.556 5.707 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1830681047 GDBWNUQUWCTJKE-RUZDIDTESA-N 496.692 5.710 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831305815 BEVCQUGBRHVQAM-UKILVPOCSA-N 477.114 5.619 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC=C(C)C)CC1)c1ccc(O)cc1 1831926692 WTJNPYNNAYKDPO-VPUSJEBWSA-N 464.650 5.255 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1 1832634422 RCVLQDKYSGQQTQ-RBTNQOKQSA-N 469.629 5.738 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703185 HLWGOTCMOMYUKH-CLJLJLNGSA-N 477.649 5.347 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)cc1C#N 1832703271 ICDKYEACPXFXSR-SANMLTNESA-N 498.627 5.374 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCC2)CC1)NC(=O)OC(C)(C)C 1832755180 OTCYOQVTDRMKCH-RPWUZVMVSA-N 489.701 5.046 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1832826164 JLBOGBJMRYOPPL-DEOSSOPVSA-N 481.434 5.249 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)CCC3CCCC3)CC2)CC1)c1ccccc1 1837611630 GTFLJLOBHGMSHS-NDEPHWFRSA-N 478.677 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 1838423928 SJPWHSLYHCIIEB-UHFFFAOYSA-N 480.571 5.310 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C)C1 1841296682 UWCFJYAWKWWDLT-UHFFFAOYSA-N 489.701 5.214 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 10611661 SMJMMVMJVQTGFQ-OAHLLOKOSA-N 489.414 5.344 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)s1 11158768 PTQUQKSSXBMCSW-UHFFFAOYSA-O 458.799 5.752 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nc2sccc2c1=O 11209450 JGIXTFJMRLKNIY-LLVKDONJSA-N 464.494 5.566 30 20 JKED C[C@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccccc1C#N 21606150 SYMHUXKGAFTYDQ-AWEZNQCLSA-N 465.849 5.096 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731146 MQUYROAPFAEBMS-UHFFFAOYSA-O 481.641 6.241 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1/C(O)=N/c1nnc(SCc2ccc(C#N)cc2)s1 23441456 BGSYKSUSFMTWGD-UHFFFAOYSA-N 497.602 5.821 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1 26498212 YOKQAQHYNXPASE-KRWDZBQOSA-N 464.591 5.470 30 20 JKED Cc1ccc(-n2ncc(/C(O)=N/c3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)c2C(C)C)cc1 28934263 DAUUKQUNZNYWFA-QZTJIDSGSA-N 453.612 5.006 30 20 JKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1Sc1ccccc1C#N 71998852 OKITVDOEBWMWBN-UHFFFAOYSA-N 452.583 5.566 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 97545039 GTRKUMZREDPJPE-UHFFFAOYSA-N 498.396 5.273 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 195652853 NFCLSPITPBKLBB-BBRMVZONSA-N 486.931 6.238 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1cccc(Cl)c1 195695499 RZWUUSAGXVBXLM-NRFANRHFSA-N 462.340 5.790 30 20 JKED N#CC1(c2ccccc2)C/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1 205777701 WTZWNQVFQXOGDG-PZRYXVKFSA-N 497.463 5.206 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)o1 409532263 ZMQSZLNYXHQZRL-UHFFFAOYSA-N 474.904 5.238 30 20 JKED Cc1c(C#N)c(NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CC2)n(Cc2ccc(F)cc2)c1C 477462488 FGQWWJNJAGWUJV-UHFFFAOYSA-N 484.497 5.400 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 482209539 IIOJKTCDYFUHJY-UHFFFAOYSA-N 454.511 5.685 30 20 JKED Cc1cc2nc(C)c(CCC(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c(C)n2n1 487112428 UXSCXEQPJVABMR-UHFFFAOYSA-N 498.534 5.164 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)n1 488592844 IABHQHLCWVCGLA-UHFFFAOYSA-N 450.542 5.446 30 20 JKED Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)nc12 498284144 CIFYXBCUYZXXHM-UHFFFAOYSA-N 489.622 5.529 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 501387692 LRQNORHFZUYHGU-UHFFFAOYSA-N 481.552 6.031 30 20 JKED C=CCN(C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)c1nc(C(=O)OCC)cs1 501937527 IMGLDJQSCGTSIL-UHFFFAOYSA-N 483.571 5.520 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)n2)cc1 503539876 FKQAGAIWPLFKAI-INIZCTEOSA-N 456.508 5.024 30 20 JKED C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 504639980 XDYCPNMENNZNBU-CQSZACIVSA-N 478.540 5.038 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 504980928 MVUPIJOKUYAPMJ-UHFFFAOYSA-N 488.385 5.479 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c1 511190762 HCUPPPHEELDQNJ-UHFFFAOYSA-N 486.828 6.084 30 20 JKED C=CCOc1c(Br)cc(CNc2cc(NC(=O)C3CC3)ccc2C)cc1OCC 513563553 UGULCRXYTZSMPT-UHFFFAOYSA-N 459.384 5.682 30 20 JKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515649094 LQHYAJZTVIFPDS-INIZCTEOSA-N 455.341 6.044 30 20 JKED COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 515669338 WZUPRYBTUQTKCC-UHFFFAOYSA-N 469.950 5.016 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4csc(C)n4)c3)n2)cc1 516270379 VPSLAIYZBVPGPZ-OAQYLSRUSA-N 461.568 5.653 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 516713687 HJKRQKQZMOMSAH-MRXNPFEDSA-N 470.394 6.346 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 517477850 CVJJBYZVMVPACH-UHFFFAOYSA-N 469.335 5.580 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)CC2)c1 517860273 WHHPDCLSLQMDGT-UHFFFAOYSA-N 480.543 5.163 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 518753316 MBKRHZHVCILOEA-HNNXBMFYSA-N 477.417 5.378 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2c(Cl)cccc2Cl)c1 518755013 DPGGQHXXJCIRLH-UHFFFAOYSA-N 470.381 5.526 30 20 JKED CC(C)(C)c1nc(CN2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cs1 519010355 CWRKXZGYRYUVTR-UHFFFAOYSA-N 475.618 5.454 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F 520131057 IOIXLXDKKXCJLE-UHFFFAOYSA-N 464.516 5.533 30 20 JKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 520411732 DJHAGZJUQUAABE-HNNXBMFYSA-N 468.340 5.815 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 520681127 DNWIDJYQTULYCX-IBGZPJMESA-N 457.530 5.306 30 20 JKED Cc1ccc(C)c(-c2nn(CC(=O)Nc3ccccc3S[C@H](C)CC#N)c(=O)c3ccccc23)c1 520825057 TYDDBZMTMRHQOL-HXUWFJFHSA-N 482.609 5.713 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1cccc(Br)c1 520833852 MHMRPYVDBOPTIB-OAHLLOKOSA-N 465.438 5.594 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 520935314 ARNPTZFSWAREQS-HNNXBMFYSA-N 499.061 5.689 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1 521312272 XEWGCFUKHRGQCA-UHFFFAOYSA-N 486.022 5.149 30 20 JKED Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1F 521725448 DAWCZLQFBFVBAV-MRXNPFEDSA-N 483.590 5.439 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCc3csc4ccccc34)cc2Cl)c1 524428681 UROUBGUTDPUSPJ-UHFFFAOYSA-N 489.984 5.303 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 554234511 UADZGHZSCNIAHU-UHFFFAOYSA-N 475.599 5.397 30 20 JKED CCOc1ccc(C(=O)N2CCC(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 579120068 GTZVUTSCKKZWPI-UHFFFAOYSA-N 484.556 5.176 30 20 JKED Cc1cccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCC4)n2Cc2ccco2)c1 589944765 QGOCBZFLMBKYLF-UHFFFAOYSA-N 489.626 5.438 30 20 JKED CCc1nc(SCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(C)o2)CC3(C)C)n[nH]1 590665236 MWTDOTRTGIIDSB-CLFYSBASSA-N 479.631 5.711 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 603706261 TYXPYQTWWHZEHH-IVZQSRNASA-N 451.979 5.631 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838774 KMDFSUGXZRIWJN-QGZVFWFLSA-N 484.324 5.701 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 603947007 ZDCQDUYCOAYLCJ-NSHDSACASA-N 488.009 6.412 30 20 JKED CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604090342 VJOQBUBPDOBGKS-UHFFFAOYSA-N 468.985 5.506 30 20 JKED CC(C)(C)c1noc2ncc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc12 604203250 ITPLVXNIRANQNH-UHFFFAOYSA-N 485.491 5.710 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 604440750 OTNRLNSOBDUKAK-UHFFFAOYSA-N 462.987 6.275 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2cccs2)n1 604476532 MPTLGJVDKGHTAO-AWEZNQCLSA-N 468.581 5.910 30 20 JKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 604484880 IMWHUQOHZNHXHR-SFHVURJKSA-N 457.603 5.053 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 608791645 JSNYQUAUKWHNOZ-JOCHJYFZSA-N 478.518 5.214 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 609079263 SQYDDKVUEITWPC-IGKIAQTJSA-N 455.558 5.735 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)c2)cc1 609175998 VEFLEXKRWWDFIB-UHFFFAOYSA-N 459.461 5.403 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](Cc3cccc(F)c3)c3cccc(F)c3)CC2)c1 609212283 QDRCTUAHNFXJEF-SANMLTNESA-N 461.512 5.373 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 609401832 BBVOFALVLASURO-OFNKIYASSA-N 479.646 5.919 30 20 JKED COc1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)[C@H](C)C2CC2)cc1 609424389 BFYFGPUVDXXYJD-OAQYLSRUSA-N 469.585 6.287 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)nnc1-c1ccoc1C 613908424 UCMUYMKISICBIT-QFIPXVFZSA-N 454.571 5.311 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)cs1 620304621 VYTNBQPMRFDOSS-KRWDZBQOSA-N 483.590 6.636 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093007 SGQPLHFRXXMJOD-IMRBUKKESA-N 493.261 6.029 30 20 JKED C=CCn1c(S[C@@H](C(=O)N(C)Cc2ccc(OC)cc2)C(C)C)nnc1-c1ccc(F)cc1 639430807 SRCQWGXMYXCSHF-JOCHJYFZSA-N 468.598 5.054 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 726397444 HWVRMJKDFBMVPF-SBUREZEXSA-N 479.577 5.364 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC3CCC3)C2=O)cc1 726404404 XIEAHFCYFAVTQB-JOCHJYFZSA-N 496.036 5.038 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1 726414570 CBMZVFAGGDSXFJ-JOCHJYFZSA-N 463.559 5.227 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N\[C@H](C)c2cccs2)n1 726418508 DKCFCDGHBQAILG-JBWIOHFISA-N 482.606 5.181 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N/[C@@H](C)c1cccs1 726420652 LZULSLLUVHRDOK-KAUURPEQSA-N 479.599 5.086 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 726428330 KBEYHJDKJXMQJC-PTNGSMBKSA-N 481.552 5.470 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3ccc(OCCN4CCCC4)cc3)SC2=S)cc1Cl 726627298 PRTSUFRGKSPDOY-BKUYFWCQSA-N 470.019 5.092 30 20 JKED COc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 726697170 JCGHQDQVFZQHFN-UHFFFAOYSA-N 456.546 5.458 30 20 JKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C\c1cnc(-c2ccccc2)s1)C(=O)c1ccccc1 727263383 AOYPCPJFKZXDJA-JWGURIENSA-N 468.534 5.486 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c1C 728422634 DMCZSACNLXGXJJ-DVECYGJZSA-N 483.597 5.292 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 728776256 AREPDKRQDXFDKV-LJQANCHMSA-N 476.936 5.272 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3scnc3C)C2=O)cc1 729145559 LYDOUBCIRYUUIE-OAQYLSRUSA-N 494.642 5.401 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/[C@H](C)c1cccs1 729146828 ZCYJJBBDEOMREQ-HMKZZTTCSA-N 488.635 5.242 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)c2)cc1 729375450 GCPGYXRAODCCPO-KAMYIIQDSA-N 451.526 5.241 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ncccc3C)C2=O)c1 729634703 RHSUDPRMNMXAEW-HSZRJFAPSA-N 492.576 5.007 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ncccc3C)C2=O)cc1 729634853 VNAUALHUAFHKOV-DEOSSOPVSA-N 488.613 5.258 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c(C)c1 730712487 LHBKZQUZHNJFOI-FQEVSTJZSA-N 486.956 5.244 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943977 OUMBBPRBSIVBBV-HJPURHCSSA-N 490.560 5.145 30 20 JKED CC(C)c1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2cnn(C(C)C)c2n1 731066724 GHDSNTGCKJYBSH-QGZVFWFLSA-N 479.606 5.325 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731304056 GUWIPKLMBXADSH-IBGZPJMESA-N 477.508 5.314 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731307814 VPKQSVJYVKNBCX-BTYIYWSLSA-N 483.977 5.230 30 20 JKED O=C1/C(=C\c2ccc(C(=O)O)cc2)CN(Cc2ccccc2Cl)C/C1=C/c1ccc(C(=O)O)cc1 747316837 DVRXZNRUVSJZJA-GACBQCINSA-N 487.939 5.288 30 20 JKED O=C(CSC(F)(F)F)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 747387410 WRQRPOLFQVYNAJ-UHFFFAOYSA-N 450.357 5.204 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cscn1 747603312 RZUOSJFWNAIJDZ-HSZRJFAPSA-N 486.622 5.765 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CC(F)(F)F)C1=O 799219456 SSBDYWGAPOCTCV-MRXNPFEDSA-N 490.334 5.824 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 837302259 XIJGDUCBHRNQLL-LHSJRXKWSA-N 484.503 5.220 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1ccccn1 838191979 PPWJUABNAJZRCO-UZUQRXQVSA-N 476.577 5.505 30 20 JKED CS(=O)(=O)c1ccc(-c2noc(-c3cccc(Oc4ccc(Cl)cc4C#N)c3)n2)cc1 904542361 NHSSMEQXPNVPOY-UHFFFAOYSA-N 451.891 5.124 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915088005 YOLSNLBIDOTDIV-IDISGSTGSA-N 487.625 5.466 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)c1C 915180332 NOJHVEBKMXBDSZ-NDEPHWFRSA-N 492.579 5.503 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 915861507 BMPKOWIUQKOSNU-FQEVSTJZSA-N 455.392 5.444 30 20 JKED C=CCN1C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166407 FYFUHQAYWOHQAI-LJQANCHMSA-N 494.857 5.432 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@@H]2CCCO2)c1 916210117 ARIVOYKRCNZGKO-GMAHTHKFSA-N 465.619 5.060 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccccn3)C2=O)cc1 916217416 MTYCYHBZPAHDHI-QHCPKHFHSA-N 488.613 5.258 30 20 JKED COC(=O)c1ccc(COc2ccc(C=Nn3c(S)nnc3SCc3ccccc3)cc2)cc1 916368339 CALNNTQFRGSWKE-UHFFFAOYSA-N 490.610 5.107 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1 916710584 LQMYKTJREDZCMV-VVJBIOMHSA-N 497.020 5.064 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)COc1ccc(C#N)cc1 916878788 ULILOSTUDNGBHF-UHFFFAOYSA-N 466.493 5.265 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 916909273 LMQODLZWLNRGIX-HXUWFJFHSA-N 495.926 5.354 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916919601 YEIPOWSLAWSWRQ-HSZRJFAPSA-N 451.457 5.192 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1OC 916928675 QSUVFHCFCZPCAG-OAHLLOKOSA-N 490.368 5.024 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1Cl 916932511 WZWYNDGBFKYBQH-ZDUSSCGKSA-N 470.150 5.262 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916946419 UCMNZNGVFRSVFA-QGZVFWFLSA-N 479.161 5.436 30 20 JKED C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975473 CQYLRXJEQNKEQT-MFKMUULPSA-N 494.823 5.282 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2sc(Nc3ccc(C)cc3)nc2Cl)c(OC)c1 917031200 XTVOQVJTSQHXHT-UHFFFAOYSA-N 487.010 5.295 30 20 JKED CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043927 PGDHCZXOYOJUER-QFBILLFUSA-N 474.508 5.015 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 917047509 ZCTBBVYRNUYVTD-HOTGVXAUSA-N 476.783 5.156 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C 917424220 GTXNWRUWSQBEHN-INIZCTEOSA-N 459.493 5.710 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 917517605 JHOODSBLQSACTO-YFHOEESVSA-N 463.877 5.717 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@H](C)c2ccccc2)c1 917611123 ZTMHCGCHZDKRON-HXUWFJFHSA-O 474.650 5.641 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc(C(C)C)c1 917710925 YRRMKISXMRWITE-DEOSSOPVSA-N 479.646 5.147 30 20 JKED COc1ccc(NC(=O)c2ccccc2SCC#N)cc1NC(=O)c1ccc(Cl)cc1F 918653023 BBZHHMLKRUVGNX-UHFFFAOYSA-N 469.925 5.608 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)n(Cc2ccc(F)cc2)c1C 919364947 HIRJNJGEUDDIOF-ZWKOTPCHSA-N 479.474 5.014 30 20 JKED N#CCOc1ccccc1C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 919811773 RVKZCWNJKYKYNF-UHFFFAOYSA-N 485.409 5.926 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3ccccn3)C2=O)cc1 920175040 FPSSYMKEOSLRGE-XMMPIXPASA-N 470.598 5.039 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc(-c2ccncc2)cs1 920267861 KXRBSSODDXUGKV-QFIPXVFZSA-N 466.541 6.302 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ncnc3sc(C)c(C)c23)cs1 920362792 KPGSSYLIEWMRKH-UHFFFAOYSA-N 490.536 5.914 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1C 920804545 UUVQCIWQWPPZNP-LBPRGKRZSA-N 472.567 5.678 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785881506 BLKDWWBQWVGNTB-UHFFFAOYSA-N 479.536 5.309 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)c(C(F)(F)F)o1 1786040736 OXOXSVKGRZSYSF-UHFFFAOYSA-N 496.489 5.254 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)c1 1786042404 FSWOIKXMRVUVJF-UHFFFAOYSA-N 468.582 5.482 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786058318 HNCBQTOKXPLEML-DNVJHFABSA-N 481.637 5.026 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4OCCc5ccccc54)cc3)CCC2)c1 1786314804 YMDWMTZNGHFWTB-SANMLTNESA-N 483.543 5.149 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccnc(C(F)F)c3)cc2)CCC1 1787016893 MWMZGXLPTFDWPM-CMDGGOBGSA-N 481.524 5.268 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CNc4ccccc4C3)cc2)CCC1 1788067750 OKLFZBSSBQKNET-QFIPXVFZSA-N 457.618 5.379 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788367577 LRICMVXQJZUSIF-KRWDZBQOSA-N 494.979 5.544 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(OC)cc3)cc2)CCC1 1788379482 NYLATYSAIGHUOJ-VWLOTQADSA-N 499.611 5.078 30 20 JKED COc1cscc1C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1788824915 BPOLWRYUXRGPNB-UHFFFAOYSA-N 459.571 5.009 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)cc(Cl)c4n3)cc2)CCC1 1789370962 PXZGPGXNOXNJQJ-UHFFFAOYSA-N 488.897 5.168 30 20 JKED Cc1cc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)no1 1789574498 FHFRTWIUWKXUBJ-ZRDIBKRKSA-N 484.556 5.103 30 20 JKED CCOc1ccc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789577132 ZIMVXKPOKDEHTE-LQKURTRISA-N 479.964 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)CCC2)cc1 1789625604 LCYXZPNLKLJKOY-NRFANRHFSA-N 497.636 5.039 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(OC)cc4)CCC3)cc2)CCC1 1790482215 ZQGXCGQPUPCTSR-UHFFFAOYSA-N 464.631 5.170 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c(O)cc4O)cc3)CCC2)c1 1790597614 LKRMQXJIFBEQOK-INIZCTEOSA-N 489.959 5.440 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cn4cnc5ccccc54)CCC3)cc2)c(Cl)c1 1790768010 YPJUMXICMCVSRB-UHFFFAOYSA-N 483.959 5.009 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1)C(F)(F)F 1791302731 VLFBMNNHKZZVAR-UHFFFAOYSA-N 494.473 5.689 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791405360 VGLCQEYAERWJNU-BCHFMIIMSA-N 487.616 5.072 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4cc[nH]c34)CCC2)cc1 1791582560 CCWXYAJKMISLIB-UHFFFAOYSA-N 478.390 5.482 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)CCC2)cc1 1791583663 WQPPQNJQWRNNGP-UHFFFAOYSA-N 459.977 5.748 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccn4)nc4ncccc34)CCC2)cc1 1791585479 BHLGZMWXCDIDIG-UHFFFAOYSA-N 489.579 5.243 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CSc3ccncc3)CCC2)cc1)c1ccc(O)cc1 1791641981 OETJYBFYZHJDJM-QFIPXVFZSA-N 499.636 5.211 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c(C)n1 1791771623 CSBRQYAIEDCLKW-UHFFFAOYSA-N 470.548 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccc(F)cc4)CCC3)cc2)c1 1792122404 LMUYYTOUNYBFBV-LJQANCHMSA-N 471.532 5.279 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)Cc3ccc(C#N)cc3)C4)c2c1 1796428518 VWNBGXOCQNUNRO-NUNAXRQHSA-N 499.611 5.006 30 20 JKED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ccccc3c2Cl)c1 1797462717 CXIIHLSNWWVBIO-BCDXTJNWSA-N 479.989 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cncc2Cl)[C@H]1c1cccnc1 1802367465 ZIEMEZAYWMDYCW-DYESRHJHSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1802503069 PSKHUARLKNDEGH-GCJKJVERSA-N 491.529 5.552 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1803602009 QWNPZCJSZIHHFW-DFCKQENNSA-N 491.632 5.162 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)C1 1805456404 UIKBMTQQMWUWFC-UHFFFAOYSA-N 487.669 6.063 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1809100137 BYDXZHSLEBNBPY-ZJSXRUAMSA-N 474.630 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1809161172 OJBDJPGRUAPXLT-RQTOMXEWSA-N 457.574 5.224 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 1809253166 PVPXQAURYOJBOW-RMQVNJIYSA-N 478.552 5.088 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)CSc3ccccc3)C2)CC1)c1ccccc1 1809288729 KOEDHWKHIZKWBV-AREMUKBSSA-N 474.670 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1810175694 XSGVBRHEBVUMHC-JBYIUTFZSA-N 488.415 5.182 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2CCCC3)[C@@H]1c1cccnc1 1810178998 VWHBMJDDQDYJJI-FKCDAAJZSA-N 457.618 5.048 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810268311 STVDIUGMUXXIIL-NVQXNPDNSA-N 496.127 5.414 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4cccc(F)c4s3)[C@H]2c2cccnc2)cc1 1811359768 NRDHVFMRDQPXRI-DHLKQENFSA-N 498.583 5.135 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)cc12 1811742972 LJRKSSWRHOHCBL-IBVKSMDESA-N 497.986 5.030 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccc(C)cc4s3)[C@@H]2c2cccnc2)c1 1811944176 KZEVAWABOCTJHC-YIXXDRMTSA-N 494.620 5.418 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1812588577 PUXVLNYDCAJFEW-XAEMIUIASA-N 468.022 5.482 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1812591285 DGLHUXKFYHNJIT-IUGBQFMMSA-N 471.576 5.420 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813145715 YAGNSCDWLSVQPJ-QUZZAMIASA-N 493.957 5.215 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1813226314 MVGQJCXWQOEAPR-IRPSRAIASA-N 481.596 5.387 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1814440473 SGVROPFPGCNROV-ILBGXUMGSA-N 491.680 5.306 30 20 JKED Cc1ccc(OCCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1814634792 NNRRMVVZLCTYFR-NBGIEHNGSA-N 485.588 5.120 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1)Oc1ccccc1 1819387065 XGRVJKFOFADJKW-URXFXBBRSA-N 494.712 5.311 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cncc(C(F)(F)F)c2)n[nH]1 1819926930 WSQKLXYGYOSZHX-GOSISDBHSA-N 463.504 5.122 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cncc(C(F)(F)F)c3)n[nH]2)c1 1819930918 ZFWWXKRBFOSICW-QVKFZJNVSA-N 496.493 5.070 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1)C(F)(F)F 1821383661 DKUUBEHYAHUDRH-SFHVURJKSA-N 477.874 5.036 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)n[nH]2)C1 1821856956 IEDVWCXZAYKJFI-JTHBVZDNSA-N 455.002 5.461 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1822400933 WVCGGUIYKOOLNY-FQEVSTJZSA-N 459.575 5.502 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823213050 POAOYJGLKYCZBA-SBUREZEXSA-N 475.980 5.618 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc4cc(Br)ccc4c3)CC2)C1 1823701210 CPFMYJHUFCMLGK-DEOSSOPVSA-N 496.449 5.197 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCSCc3ccc(C)cc3)CC2)C1 1823702997 JHCXSYFQGFHSEQ-RUZDIDTESA-N 454.680 5.204 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1824141538 SYLBGVRPRVHWSY-HHHXNRCGSA-N 490.648 5.087 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1824384637 DPROAMDCMRFFDL-AMGIVPHBSA-N 489.685 5.291 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1)C(F)(F)F 1825766672 ULGJUPRDBJDANU-FQEVSTJZSA-N 475.511 5.002 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828154149 JLRBTOYNGXFLDY-QFIPXVFZSA-N 472.626 5.257 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828223270 CISRWZXJNVLUGZ-SQHAQQRYSA-N 475.633 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c(OC)c(C)c2)CC1 1828827834 WEPGGVBNUKCEKA-LOSJGSFVSA-N 452.639 5.314 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828828672 PFWNFVURHGTLSE-OFNKIYASSA-N 469.029 5.218 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nn2C(F)F)CC1)c1ccccc1 1829032653 PTCSMMSNQKIOQQ-RPWUZVMVSA-N 496.602 5.017 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1)c1cccs1 1829671800 VBKHILIWXMGRQL-YQTDCCHMSA-N 493.604 5.041 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829903734 KAFOSUGYIUHQPO-SANMLTNESA-N 456.586 5.126 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1830557907 PHSBNWUXLSBTHE-SANMLTNESA-N 491.607 5.340 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCC(F)(F)C3)CC2)cc(C(F)(F)F)c1 1830755393 YAPSPOPQBWCSJU-RXVVDRJESA-N 497.508 5.246 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1)c1ccc(O)cc1 1830992296 YQLZXSJLQYHSCO-LEAFIULHSA-N 498.623 5.569 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831209326 RSGAMQIGGBNUMS-VEEOACQBSA-N 499.699 5.283 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1831370218 HRFBLXQXEAJJKL-OXJNMPFZSA-N 460.043 5.395 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1831374327 OANIQWNSOQMJOH-AJTFRIOCSA-N 487.644 5.384 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831375036 LYPWBDMGSDFJCF-YADARESESA-N 475.658 5.895 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ncoc4c3)CC2)c1 1832632370 OCUJVEWMLMBBHV-DFBJGRDBSA-N 470.573 5.002 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)CC1 1832662053 QHEPVOGMTKZVBF-XUZZJYLKSA-N 459.030 5.350 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C)c4ccccc34)CC2)C1 1832996308 RYVNSMICQADVLD-NDEPHWFRSA-N 458.646 5.667 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1833079030 GSEFZVFNBQNWGB-UHFFFAOYSA-N 461.735 5.547 30 20 JKED CC(C)[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)cc2Cl)C1)c1ccc(Cl)cc1 1845487079 JAODEAZEAIGNOK-QFIPXVFZSA-N 470.400 5.122 30 20 JKED C=CCC(=O)N1CCCC12CN(C(=O)c1cccc(Oc3ccc(C(F)(F)F)cc3Cl)c1)C2 1846377704 JUYKIFGOGHSGGI-UHFFFAOYSA-N 478.898 5.544 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(O)c2)cc1 10174207 KTZYASLXGOTGOO-UHFFFAOYSA-O 461.485 5.192 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(Cl)c(Cl)c1 11159650 OYFVMYLWCNSDRV-UHFFFAOYSA-O 470.445 6.383 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(CC)cc2)cc1 11252754 SVPBIOYMSXBAPU-UHFFFAOYSA-O 475.634 5.888 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)CC2)cc1 11740430 MWTWVUIHIUNSJI-UHFFFAOYSA-N 490.947 5.260 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2F)ccc1Cl 14493615 SWSYHUKFKZTCRY-UHFFFAOYSA-N 462.905 5.252 30 20 JKED C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1sc2c(c1C#N)CCCCC2 16872543 VEYBJEHSPMRFIB-SNVBAGLBSA-N 499.971 5.723 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)cc12 21459568 DVPWJQAEAJLHIG-CQSZACIVSA-N 464.934 5.105 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccc(Cl)cc1 21849040 PGJBJMPRGUXVCL-SFHVURJKSA-N 468.026 5.663 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730678 JLWYZRAEJCLPBO-UHFFFAOYSA-O 451.615 5.602 30 20 JKED C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(c1ccccc1)c1ccccc1 25976071 DBSRTDPEWLSFMT-HXUWFJFHSA-N 480.568 5.359 30 20 JKED C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 26979594 WVGRPYAWWVWGFB-GOSISDBHSA-N 491.617 5.486 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nnc1-c1ccc(Cl)cc1 27594201 JJYLZOKNHHNAFJ-UHFFFAOYSA-N 485.034 6.218 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(C(C)(C)C)cc2)c1C 28695919 BMSRFBDXQLHTNH-UHFFFAOYSA-O 462.639 5.778 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(OCC)cc2)cc1 28793752 MIXWQECRWYGIGZ-UHFFFAOYSA-O 478.638 5.524 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 32288713 PPKUPIDYRLKNAK-IBGZPJMESA-N 459.571 5.145 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 32673288 NAQCKWCHNDNHQM-UHFFFAOYSA-N 450.498 5.233 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 32786980 LFOUHAVNZPLMMX-UHFFFAOYSA-N 483.569 5.187 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 108437859 SVVBZZAXOFMTRP-UHFFFAOYSA-N 462.550 5.032 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 195648946 IGIVUZKRKXQDGB-AVRDEDQJSA-N 481.021 5.026 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)n1 195651070 KNTAJLTYRIWNAC-UHFFFAOYSA-N 451.621 5.070 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(CCc3ccccn3)Cc3ccc(F)cc3)cc2F)c1 481572029 KHLAVJRYSXLORM-UHFFFAOYSA-N 498.533 6.087 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1C 498004811 SAJSIGZBLJSDJX-XMMPIXPASA-N 475.662 5.345 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)cc1 498373285 BRIKPXGLTUOAKJ-UHFFFAOYSA-N 452.963 5.264 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 499571535 FCZUFZMOXQBMIX-JTQLQIEISA-N 482.274 5.693 30 20 JKED N#C[C@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 499578210 WSKXLJVSMBPMMV-MRXNPFEDSA-N 460.584 5.007 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 507908461 MECGLVFSWZMNJS-UHFFFAOYSA-N 460.540 5.302 30 20 JKED COc1ccc2cc(CN(C)C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc2c1 511337306 HUYXSYNCBQGBGK-UHFFFAOYSA-N 465.553 6.157 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1 513149516 VPUXXDJZQMJCHM-SFHVURJKSA-N 460.839 5.831 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513662073 XVFVTOYVGBCXOM-LJQANCHMSA-N 483.553 5.410 30 20 JKED Cc1sc(NC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c(C#N)c1C 514336604 CFDBJSFAEWFMOB-CQSZACIVSA-N 480.640 5.874 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 514425172 XLINWXFOBUQNKM-UHFFFAOYSA-N 460.497 5.099 30 20 JKED Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2C)n1 514575219 HHOPIUKWRMNAMB-XMMPIXPASA-N 484.991 5.386 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 517447876 VKHKYMXJTOXRBM-HNNXBMFYSA-N 488.038 5.173 30 20 JKED N#CCCSc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 518139870 BMZMURHQVDCMGQ-NRFANRHFSA-N 464.978 5.729 30 20 JKED CC[C@H]1c2ccsc2CCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519441590 OIOJETYHRRPKBZ-INIZCTEOSA-N 467.538 5.247 30 20 JKED CCN(Cc1c(F)cccc1F)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 523247726 VETXLUQDGXMGEL-UHFFFAOYSA-N 469.875 5.269 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2Br)on1 557755034 GEFZTHBMDCAINO-HNNXBMFYSA-N 480.240 5.228 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc3[nH]ccc23)c1 588703379 NJASEQKUCREHOS-UHFFFAOYSA-N 465.962 5.455 30 20 JKED C=CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590792445 YKBIUUATVVMXAW-UHFFFAOYSA-N 496.548 5.406 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)cn2)c1 603624291 ZKGBIFKAWDSRLM-UHFFFAOYSA-N 481.961 5.124 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2N2CCc3ccccc32)CC1 604097087 GJXPGWLPBHSMBU-UHFFFAOYSA-N 479.540 5.356 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2F)on1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604110003 BFEKRULFLXEINA-UHFFFAOYSA-N 450.451 5.345 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(Cn4cnc5ccccc54)cc3)cn2)c1 604509977 OIYBWVXEEGVOKV-UHFFFAOYSA-N 474.524 5.465 30 20 JKED Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 608876023 ADNSWHMCQLRBES-VWLOTQADSA-N 485.588 5.215 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 609078588 BDDOOPDQJQUPJN-CLJLJLNGSA-N 459.521 5.627 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)cn2)cc1 609126363 OYCRBRCQVGNSCW-UHFFFAOYSA-N 474.571 5.131 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2sc3c(c2c1=O)CCC3 609371052 WEWOXJVCWDGPGD-HNNXBMFYSA-N 496.683 5.258 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 609378365 GSSNLLBIQIJHDF-UHFFFAOYSA-N 480.493 5.194 30 20 JKED Cc1ccc2nc(COc3ccc(C(=O)Nc4ccccc4SC[C@@H](C)C#N)cc3)cn2c1 609382634 KSAUINYLFZTBIW-IBGZPJMESA-N 456.571 5.726 30 20 JKED Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609402247 QMPJTNIKPLOCJU-IBGZPJMESA-N 461.509 5.322 30 20 JKED O=c1c(Cl)c(N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1F 613438167 ULKDPZZPLWQLHV-JZYVYDRUSA-N 475.767 5.486 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1cccc(C)c1 617943013 YFHXMRQBLBHNKV-MRXNPFEDSA-N 458.990 5.371 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nn(-c2ccc(F)cc2)c2c1CCC2 642157021 DSLDGKSBQMSACB-VXGBXAGGSA-N 463.397 5.139 30 20 JKED CC(=O)Nc1cc(NC(C)=O)cc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 642281654 YOSFTQNUUNRMIS-NCWDGNTMSA-N 476.602 5.018 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)nnc1-c1ccccc1F 645077130 ALPXLBFPFDWWIM-ZIAGYGMSSA-N 481.622 5.959 30 20 JKED COc1ccc(C(C)=NNc2nc(C(F)(F)F)nc3ccccc23)cc1CSc1ncccn1 725833370 XEPHTPAUFXHDOB-UHFFFAOYSA-N 484.507 5.576 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 726394531 VJDMLBRUJGUFID-KOSHJBKYSA-N 486.597 5.097 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S/C2=N/[C@@H](C)c2cccs2)cn1 726421068 NZXRDHRUJQZPSR-YPJHDTNPSA-N 494.642 5.050 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C/c3csc(COc4ccc(OC)cc4)n3)SC2=S)c1 726627930 VVKUSPCWWWVHHC-NDENLUEZSA-N 464.593 5.118 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N(CCC#N)c2ccc(C)cc2)cc1 726942480 XRYOYSOQOXBTKO-UHFFFAOYSA-N 450.542 5.346 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(CCc2ccccc2)Cc2cccnc2)c1=S 726966046 RWQFEDXDMQKJFC-UHFFFAOYSA-N 459.594 5.504 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3ccccc3)C2=O)cc1 728428487 ZOQNVXZUBNABQE-QHCPKHFHSA-N 499.983 5.244 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(c3ccccc3)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697910 ZRORMFUPLUBPTB-PMAJZFJKSA-N 489.575 5.825 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 728776798 VDNPMGFPHBMKCE-HSZRJFAPSA-N 492.551 5.772 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H](C)CC#N)c1 728874349 XCRSAPCBQOEJLB-HNNXBMFYSA-N 499.942 5.114 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](c2ccc(F)cc2)C2CCC2)cc1F 729145119 IESJNLWXDBWKBY-ISKFKSNPSA-N 499.583 5.115 30 20 JKED CCOc1cc(/C=C(/C(=O)c2cccc(OC)c2)c2ncc[nH]2)ccc1OCc1ccccc1 729240505 QBFVZYKVOZIIHE-JLPGSUDCSA-N 454.526 5.820 30 20 JKED CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 729570335 XMCLFLBTOQPCIG-NRFANRHFSA-N 482.556 5.140 30 20 JKED COc1ccccc1[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nccn1C 729571514 WRUSBXZTHOJGHF-XMMPIXPASA-N 453.502 5.004 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)c1 729631427 IXJKGASTPVVZBS-JOCHJYFZSA-N 480.540 5.137 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 730687000 KZFJIDLGQIQSFS-LBPRGKRZSA-N 486.302 5.902 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1[C@H]1CCc2c(Cl)cccc21 730708251 CFBNUAZVJCNWJX-SFTDATJTSA-N 492.004 5.086 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cocn3)C2=O)cc1Cl 730709820 VVRYRTCMXRNXFE-HXUWFJFHSA-N 468.966 5.105 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O 730716693 YGSVZIGWMMYAIB-OAQYLSRUSA-N 498.992 5.277 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)cc1F 730719287 YTAYBNSMFQOTLY-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cocn2)c(Cl)c1 730719799 DIQSEIYLHMAJCS-LJQANCHMSA-N 486.956 5.244 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1cccnc1 730944172 RTJHJXNBEUXJJV-QMHKHESXSA-N 494.567 5.644 30 20 JKED C#CCOc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)c1 731011497 RHUNITZHCKFNJQ-UHFFFAOYSA-N 475.353 5.059 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 731061737 GXPBEFNZXBEGIL-QGZVFWFLSA-N 492.984 5.761 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(SC(F)F)cc1 731304593 WBIQSKHQZHDJIF-QGZVFWFLSA-N 465.547 5.077 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1cccc(O)c1 731305638 FLQVDQUGRLJIJF-QHCPKHFHSA-N 470.554 5.034 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c1C 731309553 XFRVVZBDPCMHOR-UZUQRXQVSA-N 477.586 5.194 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(Cl)s2)c1 731312279 LZMFTBMBXWQTQI-HXUWFJFHSA-N 496.013 5.249 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1ccco1)c1cccs1 731313320 XZHUDBLQTUJRHN-FURLQJKTSA-N 483.615 5.068 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(C3CC3)C2=O)cc1OC 745991038 OBTQSSCYACIJRW-IBGZPJMESA-N 494.400 5.133 30 20 JKED CCCCCn1c(=O)c2ccccc2n2c(=S)n(CN(Cc3ccc(C#N)cc3)C(C)C)nc12 746032797 KKSPYDXUBPXYKT-UHFFFAOYSA-N 474.634 5.110 30 20 JKED CC(=NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1c(C)nn(-c2ccccc2)c1C 746483830 PERMWRCNQBGYQC-UHFFFAOYSA-N 462.388 5.160 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCOC(C)(C)C)C1=O 746693825 DTPMCBCBFGYSOP-OAQYLSRUSA-N 499.036 5.296 30 20 JKED Cn1cc(C(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)c(C(F)(F)F)n1 749828973 VBVADFSRLUCDQG-UHFFFAOYSA-N 479.327 5.458 30 20 JKED N#C[C@H](C(=O)[C@@H](c1ccccc1)n1cccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 750668045 MWJWSSZNUOZLRL-YLJYHZDGSA-N 453.354 5.779 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(F)(F)F)cc1 799221312 UUHQBFSTSJYGCC-FQEVSTJZSA-N 487.503 5.371 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(Br)c1 799224826 ZDKJYHINMJBBPJ-KRWDZBQOSA-N 496.814 5.091 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(COc3ccc(F)cc3)n2)n(C2CCCC2)c1C 900550319 PRUFEAXGDZRKPO-UHFFFAOYSA-N 496.564 5.062 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3ccccc3OCc3ccccc3)no2)nnc1-c1ccco1 904463401 KAUXCDUXSFKNQB-UHFFFAOYSA-N 485.569 6.036 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)[C@@H]1c1ccc(OC)cc1 915103939 HZEMJLZOCPQWDE-YYDVJCTNSA-N 480.515 5.006 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1 916211682 OHVWWXGCNDZNAH-JOCHJYFZSA-N 480.540 5.137 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c1 916212344 URURWPBGEQECBE-QHCPKHFHSA-N 494.567 5.180 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916886535 HRNSYYOIFUEMTA-OAQYLSRUSA-N 475.520 5.965 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(Cc4ccc(F)cc4)c3Cl)n2)cc1 916974781 QFTSBKJHXZODCR-IBGZPJMESA-N 464.953 5.954 30 20 JKED C[C@H](NC(=O)c1ccc(Br)s1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975471 CQYLRXJEQNKEQT-GXFFZTMASA-N 494.823 5.282 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H]1CCN2CCC[C@@H]2C1 917665877 LKVHTECVAYBHFF-ZRCGQRJVSA-N 497.064 5.236 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccc(F)cc2)n1 917678133 PYKOIDLIFGPMDZ-JOCHJYFZSA-N 496.995 5.651 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C#N)cc2)cc1 917683847 CUVABDFWXAUIHB-RUZDIDTESA-N 498.608 5.344 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917702685 IFSVKRLTCGENCA-AOMKIAJQSA-N 492.601 5.350 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)c3ccccn3)C2=O)cc1 917703894 DDCAEEJNBBRPGS-UUOWRZLLSA-N 499.596 5.073 30 20 JKED COc1ccc(NC(=O)c2ccccc2NC(=O)CNc2ccccc2Oc2ncccc2C#N)cc1 917812936 NQUHAAOFLZNWRD-UHFFFAOYSA-N 493.523 5.057 30 20 JKED C=CCn1c(S)nc2cc(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)ccc2c1=O 919762635 XVEINKPZLOURHT-UHFFFAOYSA-N 490.972 5.029 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2C)C(=O)N1Cc1cccs1 920172807 KSHVRZBICIRCAA-NRFANRHFSA-N 493.610 5.224 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2c(C)noc2C)C1=O 920355513 NBBYRKUZFZJODZ-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cc(C)on3)C2=O)c1 920356075 NQWKOYKLZWZBHZ-OAQYLSRUSA-N 484.528 5.039 30 20 JKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 920635550 ISSLXUZOWCBJIV-INIZCTEOSA-N 470.441 5.013 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCc2cccc(C(F)(F)F)c2)cc1 920787723 OKIIHZUSEMZXEB-HSZRJFAPSA-N 465.475 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(OC(C)C)c(Cl)c1)C2 1779270563 GHMJMGAMGNGYIB-GNMGOMLTSA-N 489.056 5.023 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC(c4ccccc4)=NO3)cc2)CCC1 1786315855 GIMPVVYXHYTFRB-UKILVPOCSA-N 457.574 5.082 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)cc2)CCC1 1786325079 OBHMXFSGHNYFML-XMMPIXPASA-N 495.664 5.398 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1786372186 ZUTCGYQQLKUIHT-GOSISDBHSA-N 461.537 5.160 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1 1787594725 WAVFVBCRVPXPGD-UHFFFAOYSA-N 459.933 5.005 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)Cc3cccs3)cc2)CCC1)NC(=O)OC(C)(C)C 1788232460 WPCRBYOXOSDQEH-NRFANRHFSA-N 497.661 5.284 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nc[nH]c45)cc3)CCC2)c1Cl 1788432626 GNQLFEKXXVYAOR-UHFFFAOYSA-N 469.932 5.149 30 20 JKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](S)C(C)C)CCC4)cc3)c2s1 1788943895 HOZOQBPGAGZEFK-FQEVSTJZSA-N 453.633 5.307 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789626241 GMDSXJFEGAKTRS-FQEVSTJZSA-N 483.653 5.370 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3ccc(C4(NC(=O)CCC#N)CCC4)cc3)ccc21 1790086479 UYPHCTOOVXAULM-UHFFFAOYSA-N 464.569 5.866 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)cc2)CCC1 1790564137 SNDPDTARIYYKGL-OVCLIPMQSA-N 455.558 5.127 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C(F)(F)F)cc3)CCC2)cc1 1790564973 VWZAPLQQOZQDPH-QGZVFWFLSA-N 475.511 5.183 30 20 JKED Cc1nccnc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)cc2)CCC1 1790692071 SLBOYMKGQFLGPX-UHFFFAOYSA-N 486.575 5.246 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790954080 NUMHNWDSNUCHRP-UHFFFAOYSA-N 465.981 5.552 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc(CCCCC)s3)cc2)CCC1 1791075537 XQTPAZVKBUXKJB-SFHVURJKSA-N 455.624 5.215 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5C=CS[C@@H]54)cc3)CCC2)cc(C(F)(F)F)c1 1791090387 FBMZERPITHYGLO-NJYVYQBISA-N 483.515 5.200 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CCC1 1791419558 HYIUGPHOGRAKQL-UBRQYEGLSA-N 493.648 5.002 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CCC2)cc1 1792264023 UNECHASPZWSHEE-UHFFFAOYSA-N 453.464 5.348 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)cc2)CCC1 1792332646 ADHMUJCQQQGQNX-LJQANCHMSA-N 479.568 5.025 30 20 JKED C/C=C(/C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C 1800175807 PYGDMNTYBPLVNX-WZTBOIFOSA-N 477.690 5.235 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Br)c2)CCCC1 1801594846 XMYSSNDORMYDOO-ACDBMABISA-N 495.408 5.111 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)[C@@H]1c1cccnc1 1802492397 MYSHPJHQLHGDIK-ZEQKJWHPSA-N 465.613 5.160 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)N(CC(C)C)CC(C)C)C2 1802631330 SGKSUAWRQXUBKT-UMNYJUJISA-N 479.709 5.174 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1802729072 JRDNRZNLPMYZHI-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OCC4CC4)c(F)c3)CC2)C1 1804868541 HWIADXCYDAKQJF-UHFFFAOYSA-N 470.629 5.452 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)CC1 1805297657 VVVJQUVEVAYSDQ-LOSJGSFVSA-N 482.716 5.212 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)C3CCC(C(F)(F)F)CC3)C2)CC1 1806472535 XVWBSPRNDZRVSX-CBNMVNINSA-N 454.577 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3scnc3c2)[C@H]1c1cccnc1 1809954665 HGWLQBFWROMXJA-NFBKMPQASA-N 462.619 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@@H]1c1cccnc1 1810489130 KDQCPVLPXVVSFZ-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1810500551 SQURRLQPRIODEK-NFBKMPQASA-N 476.646 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1810500611 AGQLYFIWPKESRG-JTSKRJEESA-N 475.967 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2)CC1 1810783502 LSSSZERBNCLSSQ-OAQYLSRUSA-N 491.717 5.149 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)[C@@H]2c2cccnc2)c1 1811796395 PEHGCTOBGIIYDK-ZEQKJWHPSA-N 499.014 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2Cl)N(C)C)[C@H]1c1cccnc1 1812430028 FRYPCMLPGSZDBA-NQHRYMMQSA-N 497.083 5.036 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1813057794 ICSYLSJTBPELIZ-DWACAAAGSA-N 466.585 5.105 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)Sc2ccccc2)n[nH]1 1815090176 KOZBFMKLLJLZPH-XMSQKQJNSA-N 452.624 5.351 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815215643 KZPSUIFSMIVPOX-XXBNENTESA-N 474.561 5.099 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1815653804 MKYWWENZYPIFPM-SFHVURJKSA-N 472.014 5.078 30 20 JKED CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1)c1ccccc1 1816740857 UNBDJLDLMKUFLY-QXWFJRNPSA-N 469.589 5.536 30 20 JKED Cc1cccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)c1 1816923644 XOUNBHDGCFVVQM-JOCHJYFZSA-N 495.505 5.157 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)[nH]c12 1819024831 FVRVDIUNVUYNPT-CTDFXDFQSA-N 487.585 5.006 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1819305251 FTYGLSINJLJODX-WMLDXEAASA-N 450.461 5.096 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)cc1 1819385131 IWDNPWFLLJJRDF-DEOSSOPVSA-N 494.712 5.094 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1C 1819386228 DCGRQTQEDOIDOS-HSZRJFAPSA-N 494.712 5.013 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c1Cl 1820217279 GSGWKUTVWOXAQW-LJQANCHMSA-N 486.334 5.347 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)[nH]n2)cc1 1821178108 HZNKXQRSRFMUQW-RUZDIDTESA-N 496.546 5.230 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)[nH]n2)c(Cl)c1 1821277913 MIXONWCDHWOWIU-HXUWFJFHSA-N 473.920 5.301 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)[nH]n2)cc(C(F)(F)F)c1 1821308797 GMBUHRLZUJKMMU-RBBKRZOGSA-N 499.468 5.317 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cccc(Br)c3n2)n[nH]1 1821417364 DSNBLXYMHKQDLF-QRWLVFNGSA-N 496.409 5.239 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1)c1ccc(O)cc1 1822979823 COZBQSCBOPNLSA-RASJMTDNSA-N 474.605 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)[nH]n2)c1 1823218711 UWAWICNQTOYUSA-IQGLISFBSA-N 480.572 5.067 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2)n[nH]1 1823268969 VKGPTDWGUVTTES-XMMPIXPASA-N 462.594 5.273 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2C(F)(F)F)n[nH]1 1823302772 PNHNNQHMNSSDDB-IBGZPJMESA-N 464.463 5.067 30 20 JKED CC(C)=CCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)sc2C1 1823745582 VHXDHULSRLUSQS-KRWDZBQOSA-N 476.524 5.006 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)c(OC)cc(OC)c2F)CC1 1823752834 OWDOZGSBHYXGBP-LJQANCHMSA-N 492.607 5.208 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccn3c(C)cc(C)nc23)CC1 1823753009 BNPWDCPUPULWER-DEOSSOPVSA-N 464.654 5.177 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1823755286 RJXSWUWNWDOBMR-XMMPIXPASA-N 488.072 5.524 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c(F)ccc(F)c2F)CC1 1824140219 XXEAHVPGXWBBOW-HSZRJFAPSA-N 462.556 5.035 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)CC2)c(Cl)c1 1824920514 FCDYNOQRYSJYGU-VWLOTQADSA-N 494.010 5.316 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c1 1827780664 OPYQNQDWPGZFAU-OAQYLSRUSA-N 473.495 5.026 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(C(F)(F)F)coc3C)CC2)c1 1827854572 KOKBIOPCSMIIOE-JOCHJYFZSA-N 487.522 5.334 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1828821697 PYLHOVXXKRGVSX-CSKPTYFESA-N 452.561 5.107 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nscc23)CC1 1828830070 KDPIZYGEZQDHPB-RDPSFJRHSA-N 451.636 5.298 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1828907114 UUNBDWXNVPLYJY-AREMUKBSSA-N 477.725 5.037 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccn2)CC1)c1ccccc1 1829031636 CPJISROJVULPPC-RSXGOPAZSA-N 478.036 5.166 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC)cc2)CC1)c1ccccc1 1829032201 GCKJPGRAIXAITA-IZLXSDGUSA-N 471.645 5.159 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1829068525 BHQFMGOYUNJOHY-VSOVPVGVSA-N 491.676 5.802 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829692903 PJCMHJZEOPJYBA-GCJKJVERSA-N 497.064 5.021 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-n4cccn4)cc3)CC2)c1 1830593478 DWJVDZGGKBYJIU-RBISFHTESA-N 495.627 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)CC1 1830685445 LEPOYIUEJFPVRE-ISKFKSNPSA-N 498.465 5.322 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nscc23)CC1 1830970621 ATYVAVNYQIYNGN-GBXCKJPGSA-N 451.636 5.298 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1 1831041360 DMHPJVXRIXKPEZ-QHCPKHFHSA-N 489.641 5.213 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1831202252 KOOZVOUUWPSQQX-MXOIOMGLSA-N 485.628 5.212 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1832628785 AYVNJNYYXQMGSL-FQRUVTKNSA-N 477.674 5.550 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)c1 1832635192 WSNUJTOAOHSWNK-MHECFPHRSA-N 498.549 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(F)c3F)CC2)c1 1832635649 NLQNQLNTCLKOHG-MZNJEOGPSA-N 483.534 5.278 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)CC2)c1 1832712326 AJHLPPXVWGGDPO-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1836696077 HWUJNIJBSBAOKZ-QDPGVEIFSA-N 480.693 5.583 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Br)c3ccccc23)C1 1844006773 OMXXPQWKCKWRAR-UHFFFAOYSA-N 467.407 5.188 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl 9826258 RNZSQNJUCSJUQQ-UHFFFAOYSA-N 464.334 5.077 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C)cc2)cc1 10173311 NNCYKBVNZXGALN-UHFFFAOYSA-O 457.663 6.726 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(Cl)c2C)cc1 11258391 JITKMQDYLNGGBH-UHFFFAOYSA-O 452.043 6.556 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 12105316 QFVBCTFIVKXIET-UHFFFAOYSA-N 459.962 5.114 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1Cl 16023329 FWTFQJLHVUIIEQ-UHFFFAOYSA-N 486.952 5.315 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3cccc(F)c3)o2)cc1C 16657894 ICJYMYZYYUYZJK-UHFFFAOYSA-N 475.549 5.503 30 20 JKED C=CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 17652909 OXEXBYVPGPIGFV-NRFANRHFSA-N 461.612 5.233 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2CC(C)C)cc1 21583268 OEICEMMNNDUGGP-IBGZPJMESA-N 465.598 5.476 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(C(CC)CC)cc2)cc1 22693963 FMEPOFSVHAZGFH-UHFFFAOYSA-O 475.678 6.944 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)s1 22730312 MDOASHXOTCCXQM-UHFFFAOYSA-O 475.606 6.294 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 22732313 NZANYYDQYATVHJ-UHFFFAOYSA-O 487.595 6.456 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(O)c2)c(Cl)c1 22732726 JHKCMQZZENQSSU-UHFFFAOYSA-O 452.408 5.716 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)n2)n[nH]c1=S 23041863 NOTUHYCMLXQCAP-UHFFFAOYSA-N 457.581 5.294 30 20 JKED Cc1occc1-c1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1Cc1ccccc1 23608163 CXLKPLGVBUPUKT-RXJRQCNISA-N 477.634 5.306 30 20 JKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1SC[C@@H](C#N)CCC#N 24093996 AOOBRSIAVLYYOD-OAQYLSRUSA-N 495.608 6.058 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3cccc(C#N)c3)n2CCc2ccccc2)cc1 26153733 OGRSRLKFRLLOPX-UHFFFAOYSA-N 483.597 5.189 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccc(Br)c2)o1 26338258 PBUYHLSPJXJLQF-CYBMUJFWSA-N 464.410 5.256 30 20 JKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(S(=O)(=O)N(C)C)c1C 46861763 OEHKXUDLPJIZAL-QFIPXVFZSA-N 482.005 5.115 30 20 JKED N#Cc1cn(CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)c2ccccc2c1=O 60376250 XSEFUSKTMYQRGE-UHFFFAOYSA-N 469.560 5.010 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 71990317 MEAXHDNWAQDNIJ-UHFFFAOYSA-N 490.028 6.678 30 20 JKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCc1cscn1 107877075 VPERVNFXRJBECY-JOCHJYFZSA-N 489.984 6.292 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccccc1F 218074443 FLZYIYILULKRJQ-CYBMUJFWSA-N 475.471 6.192 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)n1 218683759 QDAFHKRRYJJMGS-ZCFIWIBFSA-N 455.330 5.095 30 20 JKED COc1ccc([C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccc(C)cc2)cc1 409540648 GWXYBNGINPVWRB-HHHXNRCGSA-N 482.584 5.025 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 409831543 WBAODZOGRXLETJ-INIZCTEOSA-N 470.641 5.590 30 20 JKED Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4ccc(OCc5cccc(C#N)c5)cc4)c3)cc21 475249812 VXZKDVKCOVVMEU-UHFFFAOYSA-N 475.508 5.044 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 476281095 DIPIONDIFZUCOQ-UHFFFAOYSA-N 496.032 5.349 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 482261951 WNWFICRKAIJBPJ-FQEVSTJZSA-N 472.564 5.878 30 20 JKED C=CCN(C(=O)c1cc(SC)ccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491051715 OSGHGQZGBUARPQ-UHFFFAOYSA-N 479.048 5.422 30 20 JKED C=CCN(C(=O)CCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 506808124 WSRFXXNELFHPPM-UHFFFAOYSA-N 492.604 6.679 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 510200944 RYROOAGESLONSA-HXUWFJFHSA-N 487.625 5.648 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 517859294 NXQKQJBPDZTMQP-UHFFFAOYSA-N 494.532 5.475 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 518069311 DVZZLNVLTSUOQZ-SFHVURJKSA-N 453.498 5.042 30 20 JKED CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)cc1 518145547 ONORFGSZRBKYAU-OAQYLSRUSA-N 476.964 5.631 30 20 JKED CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 518812080 KWTUAOIRWABIPN-UHFFFAOYSA-N 493.654 5.321 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 520888901 YFJAMKYWXHFPQZ-HXUWFJFHSA-N 494.389 5.515 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nnn1-c1cccc2cnccc12 521762327 KCWJIRKESXMUSD-UHFFFAOYSA-N 474.524 5.021 30 20 JKED Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1F 521809075 UYULFGHLBAATGH-SFHVURJKSA-N 468.598 5.089 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1OC 523843739 HLRLWOLBJXVUCS-OAQYLSRUSA-N 467.635 5.002 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(OC4CCCC4)CC3)cc2Cl)c1 524437905 FRCXBRSHDSQIHH-UHFFFAOYSA-N 453.970 5.746 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 573808356 NGFWUCZEAKVYQZ-UHFFFAOYSA-N 477.611 5.086 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 589220491 MKZSBVGJPQJELJ-UHFFFAOYSA-N 466.585 5.505 30 20 JKED C[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(Br)c1 594837326 BQPLBTOLWJTMTL-YJQGPUDQSA-N 479.234 5.858 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)c1 603502037 SDFMAPSXNMNLGL-UHFFFAOYSA-N 490.766 5.027 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 603566827 JZNRLAZMECXFDY-FQEVSTJZSA-N 485.396 5.156 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 603737447 JKTUYVJDRHSFCG-GOSISDBHSA-N 454.452 5.015 30 20 JKED CCOc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1OC 603794046 HBGFCLLFRSJMQW-XMMPIXPASA-N 482.584 5.420 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1 609028145 OSTRDABZTHVNLB-UHFFFAOYSA-N 479.565 5.678 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 609061413 NXEMHLDXFNZPPP-VXKWHMMOSA-N 469.585 5.307 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609080392 ZDIHIWWLTWUCDY-UHFFFAOYSA-N 458.537 5.569 30 20 JKED CC(C)n1ncc2c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc(-c3ccccc3)nc21 609184949 HGBXVENMTPRCPD-UHFFFAOYSA-N 465.557 5.234 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1Cl 609206214 FEFNQWJDTNFDFK-SANMLTNESA-N 489.019 5.274 30 20 JKED CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4SC[C@H](C)C#N)cc3C2=O)cc1 609382365 CNCQFJDHAFJSHY-QGZVFWFLSA-N 485.565 5.390 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OC1CCCC1 613405089 UWPNQIGCIAQDGR-INIZCTEOSA-N 460.477 6.135 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 615080627 NBVUGIRHNGDARN-UHFFFAOYSA-N 463.422 5.400 30 20 JKED O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618466452 HSVNZOCPFWHZOS-FUHIMQAGSA-N 497.426 5.494 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)Nc1ccccc1F)C(C)C 639394981 SJCBIBBYXZVAMC-OAQYLSRUSA-N 474.989 5.591 30 20 JKED CCOc1cc(C=Nn2cnc3ccccc32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 725849026 QTGPUANETARFSE-UHFFFAOYSA-N 482.462 5.354 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 726114762 YWSXXNNJOBDLRI-HTAPYJJXSA-N 495.674 5.611 30 20 JKED C[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1c(Cl)cccc1Cl 726315978 RAUNVYGUJJBKLD-OXJNMPFZSA-N 466.368 5.507 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 726319269 DTEKEENESFCJPD-NRFANRHFSA-N 470.504 5.423 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 726321135 AVKWQGJCUKYWBK-LJQANCHMSA-N 483.540 6.680 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1ccc(Cl)cc1Cl 726321393 JHZQZVGUUBZZIS-CQSZACIVSA-N 469.284 5.070 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccccn2)c1 726410482 HGDONAUIUHHZIS-QHCPKHFHSA-N 489.000 5.185 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccco3)C2=O)c1 726419157 DEXYSWHLEMQJEX-OVUCDXDKSA-N 467.616 5.548 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N([C@H](C)Cc2ccco2)C1=O 726420040 HAYYDVQGDDXCAU-PSSDHXIJSA-N 497.642 5.371 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2ccc(OC(F)F)cc2)c1 726426994 OWRDBWHPLGRMDT-UHFFFAOYSA-N 464.472 5.604 30 20 JKED N#C[C@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(SC(F)F)cc1 727953834 PCSGEBXZSLGTMW-CDDKBXLESA-N 456.514 5.683 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 728119033 HCFLFNAPGBOSOX-NRFANRHFSA-N 470.573 5.165 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)c(C)c1 728778946 VZTASWPNLAAHHR-HSZRJFAPSA-N 477.634 5.024 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 729552193 AZJZJAQYDSGYDE-VWLOTQADSA-N 463.541 5.804 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(CC)c2)N(C[C@H]2CCCO2)C1=O 730536344 HZIVEIXEEBFKSK-ZJSXRUAMSA-N 495.645 5.177 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cocn2)C1=O)Nc1cc(Cl)cc(Cl)c1 730709491 TYYSGHAGJPUROC-SFHVURJKSA-N 493.347 5.281 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1Cc1ccc(Br)cc1 731031577 YDDHMUOPTREJEP-YLJYHZDGSA-N 472.452 5.489 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)COc1ccc2oc3ccccc3c2c1 731060529 MFNKPSFOLPDXIE-KRWDZBQOSA-N 474.538 5.541 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(F)cc(Br)cc2[nH]1 731072665 BKVKUOZPMZMHDS-GFCCVEGCSA-N 490.354 5.117 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc([C@H]3C[C@H]3C)o2)c1 731316055 QSIDNDPFGSRSHO-WSNNEZGNSA-N 499.592 5.250 30 20 JKED CC(=NNC1=NC(=O)/C(=C\c2ccc(N(C)CCC#N)cc2)S1)c1cccc2ccccc12 733783005 OQXXLMZMTHJCER-JNJUDCSLSA-N 453.571 5.174 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=Cc2c(-c3ccccc3)nc3ccccn23)nc1 744747726 YFINXNBWQFMODN-UHFFFAOYSA-N 496.596 5.058 30 20 JKED CN(C)c1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)cc1 745437727 LLLJHFCSPNOUEW-QHCPKHFHSA-N 494.567 5.191 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNc1oc(C(C)C)nc1C#N 745625716 ZYARWAMVCLCNCQ-UHFFFAOYSA-N 451.745 5.629 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cscn2)c1 747603629 UXCVDDSYLQTJPB-IBGZPJMESA-N 488.997 5.405 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccs2)cc1 838074638 IFPRXZLXOCHBFL-HXUWFJFHSA-N 487.553 5.195 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 838392141 RKJCNYOUEIFEJF-YCRPNKLZSA-N 499.423 6.110 30 20 JKED COc1cc(C=NOCc2ccccc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 839419299 BTFLFGYUWACCDH-UHFFFAOYSA-N 458.436 5.282 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)nc3ccccc3c2=O)nc1 856179324 XPRLWTHWTUWDQD-NRFANRHFSA-N 497.624 5.133 30 20 JKED CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(-c2ccc(F)cc2)s1 863956401 JOWDXBFRGCIRKU-UHFFFAOYSA-N 479.606 5.063 30 20 JKED CC1(c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 904489392 RXBSPKKKHVISMT-UHFFFAOYSA-N 495.974 5.554 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2COCc2ccccc2)C1=O)NC1CC1 915269834 BUPYLCFCROSAHL-AREMUKBSSA-N 499.636 5.204 30 20 JKED COc1cc(C=Nn2c(S)nnc2C(C)(C)C)ccc1OCc1ccc(Br)cc1 915945003 WNFXYXAMJRJJOJ-UHFFFAOYSA-N 475.412 5.097 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccccc1Br 916205243 NCQQZPBNDVFYQA-OAQYLSRUSA-N 494.414 5.610 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccc(F)cc2)C1=O 916206293 NCOSUQOBUQFBBY-QHCPKHFHSA-N 477.561 5.303 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O 916211197 LRTXEIOWFYAUNH-HSZRJFAPSA-N 492.576 5.170 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1 916213891 HNIMBJLUHHPBTF-IBGZPJMESA-N 477.508 5.227 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=Nn1cnc2sc3c(c2c1=O)CCCC3 916288366 AMVSXIRDNBERIR-UHFFFAOYSA-N 491.926 5.385 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(OCc2ccccn2)c1 916680480 IFSGCEQFCNLFQK-LYZGTLIUSA-N 462.553 6.199 30 20 JKED N#CCOc1cccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)c1 916682261 ITLZZTMEXVGGJQ-OAQYLSRUSA-N 454.299 5.402 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)CC1 916696394 HBBIASNSXNSJQK-SFHVURJKSA-N 475.445 5.588 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 916902307 DLCCBYPSPKQBES-NRFANRHFSA-N 491.016 6.135 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 916905758 PGRNGTUQHXHIAE-NRFANRHFSA-N 473.621 5.704 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)s2)cc1 916919461 XVLRWLFUJDOBRR-OAQYLSRUSA-N 455.539 5.632 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916928900 XVVPYLOVVCEEMJ-QGZVFWFLSA-N 483.311 5.475 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 916929823 AZXPRMLUXGENIX-AWEZNQCLSA-N 497.165 6.235 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 916955403 QHDGAJPNISIQDW-VGSWGCGISA-N 461.949 5.025 30 20 JKED N#C[C@H](C(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 916976119 KKORUFXFQQXQHR-OAHLLOKOSA-N 470.341 5.602 30 20 JKED COc1cc(/C=C/C(=O)c2sccc2Br)cc(Br)c1OC(F)F 917145393 LUDBEKLMVFFDHK-NSCUHMNNSA-N 468.113 5.779 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2ccsc2)C1=O 917660947 SBBAYNAQNZNDRW-QFIPXVFZSA-N 479.627 5.534 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 917668554 BNGJWZZZCORGCV-VWLOTQADSA-N 476.561 6.276 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@H](C)c3ccccn3)C2=O)cc1 917703892 DDCAEEJNBBRPGS-KOSHJBKYSA-N 499.596 5.073 30 20 JKED Cc1cccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1NC(=O)c1ccccc1F 918322770 SLLORCOQAUHQNK-UHFFFAOYSA-N 454.423 5.187 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)n(Cc2ccc(F)cc2)c1C 919364944 HIRJNJGEUDDIOF-MSOLQXFVSA-N 479.474 5.014 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 919667527 XTYGYPTWTHZQRC-KNQAVFIVSA-N 494.016 5.347 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 920101764 HXSQAHBSHXHBAU-GOSISDBHSA-N 498.461 5.212 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCO[C@H](c3ccc(Br)cc3)C2)c1=S 920305885 NZWUESVHSZOSAL-FQEVSTJZSA-N 489.414 5.200 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2F)no1 920353838 TWPFANLBNDQQOR-QHCPKHFHSA-N 488.544 5.436 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1c(C)noc1C 920357981 WXASZBZSPKLAQQ-OAQYLSRUSA-N 498.992 5.114 30 20 JKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccc(N2CCOC2=O)cc1 920750188 XTOYVMLCQCKAAT-RAXLEYEMSA-N 455.539 5.513 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 920870025 RDTXRPRLQOVUIQ-WZONZLPQSA-N 461.587 5.083 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 921305417 PVMAYTCPIKIBKH-UHFFFAOYSA-N 458.522 5.005 30 20 JKED CCOc1ccsc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1785774372 RWFOXMWGCNORRP-UHFFFAOYSA-N 477.561 5.148 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CCC1)C(F)(F)F 1785785418 QYMNEIVDWIFFPV-UHFFFAOYSA-N 455.436 5.208 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4cccc(Br)c34)CCC2)cc1 1785933352 WQSJWKUSNFSSGH-UHFFFAOYSA-N 493.405 5.157 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3Br)cc2)CCC1 1785957562 JAWOIKQCHUYFSZ-UHFFFAOYSA-N 489.385 5.319 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786182594 XBFHEFUGBKGZPA-PGRDOPGGSA-N 469.626 5.026 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)CCC1 1786201598 NBBKKHMJIVMNEX-FQEVSTJZSA-N 462.590 5.395 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787133094 IXBNKHUQFZZSJX-UHFFFAOYSA-N 463.578 5.488 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)(F)F)c4)cc3)CCC2)cc1 1787212686 RVZYCSPPKCUHHD-UHFFFAOYSA-N 464.447 5.034 30 20 JKED CC1(C)Cc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)c2O1 1788498424 HKYXQDQMNGNZTN-UHFFFAOYSA-N 479.580 5.528 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cncn3-c3ccc(Cl)cc3F)cc2)CCC1 1788690552 WWGKYVQLHAUWKY-KRWDZBQOSA-N 496.970 5.004 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789151753 NMTILGCFSCRKLJ-VSDWSMLSSA-N 452.982 5.169 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(C(F)(F)F)cn4)CCC3)cc2)c1Cl 1790081793 NTKPFONCPUFFME-UHFFFAOYSA-N 499.880 5.082 30 20 JKED COc1c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc2ccccc2c1Cl 1790147449 UNKZXCTVIONEHL-UHFFFAOYSA-N 498.970 5.763 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)CCC3)cc2)c1 1790257267 QDUFZSLGNUSOKB-UHFFFAOYSA-N 470.479 5.379 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCC(F)(F)F)c(F)c4)cc3)CCC2)CCC1 1790587242 YYTUGTAHOICFMD-UHFFFAOYSA-N 489.469 5.208 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2)CCC1 1790684425 LZRWFZNRTZLYAD-UHFFFAOYSA-N 464.606 5.594 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(F)c(OCC)c3F)cc2)CCC1 1790781135 XGHVKKOSZIDRLP-UHFFFAOYSA-N 458.480 5.054 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)F)no4)CCC3)cc2)c1 1792124005 XOHKLBBLLHMXGU-OAHLLOKOSA-N 464.472 5.301 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)OCO5)CCC3)cc2)cc1C#N 1792168456 CNWBOVLTEJCMQG-UHFFFAOYSA-N 497.551 5.136 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ccc(Br)cc4n3)CCC2)cc1 1792264909 UWWBOWRHYGHQAN-UHFFFAOYSA-N 476.374 5.158 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC#C[Si](C)(C)C 1798417646 VKRIMEXDEFLZSO-BKFWDETESA-N 487.720 5.360 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)c1ccccc1n2CC 1799314388 KOZHWWNTGWLMMA-NUNAXRQHSA-N 473.617 5.049 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1 1800850897 SOFFYKRUKFYLDL-OOSCYNTBSA-N 499.561 5.388 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(C)cs2)[C@H]1c1cccnc1 1802492497 QFCOJUZGESQIJQ-URXFXBBRSA-N 453.652 5.083 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1803090700 IGXPKINIOKATKN-NLFFAJNJSA-N 477.008 5.304 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1803601625 NNSLQJVEDNKQHX-QGDZQMKYSA-N 489.641 5.148 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)cc2F)c(Cl)c1 1803876607 LRKBNTONELOGQJ-BTTYYORXSA-N 480.754 5.223 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc4c(Cl)cc(C)nc4c3)CC2)C1 1806014864 GMGVILVDVVDFAF-UHFFFAOYSA-N 484.040 5.024 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)CSc2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1806606840 COEMSRXWNPFMNU-WBJKNQCFSA-N 497.664 5.077 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1806684485 LZXHUBUULBFFAZ-PPJWLVRDSA-N 466.025 5.142 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1810175855 OMKTYUTYPHTOAC-CLCZQPDDSA-N 463.597 5.018 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[C@H]1c1cccnc1)c1ccccc1 1810446949 ILMMZXYBTBCAKU-SMHUPZLZSA-N 483.656 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1810503554 QIUAWUADQFJATJ-KNQAVFIVSA-N 457.977 5.186 30 20 JKED CCC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1)n1cccc1 1810936462 QXNYTMBBTHOTNR-WIOPSUGQSA-N 460.622 5.001 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)[C@H]2c2cccnc2)cc1 1811894432 XCZXFAYRDIJPCP-BVAGGSTKSA-N 499.014 5.048 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1811998548 QTHSQKSQKJDKQO-DVECYGJZSA-N 472.416 5.210 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1813050181 MVJHCTGKDALPSN-PWUYWRBVSA-N 497.664 5.497 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(C(C)=O)cc2)n[nH]1 1814959383 BTYHSDZXJQNTEW-ILBGXUMGSA-N 492.620 5.232 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815218728 RRUXXHQARFINRN-JTSKRJEESA-N 472.545 5.206 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)nc2F)n[nH]1 1816048835 FWCOMRBKUBTBME-MRXNPFEDSA-N 492.393 5.005 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165338 OLLXTIACKKIOKL-GOSISDBHSA-N 488.922 5.840 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971737 NGWINFQKPRWLSY-HXUWFJFHSA-N 487.938 5.437 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)[nH]n1)c1ccccc1 1819520511 KMJAWAINNNRQRX-LPUCNNDASA-N 481.600 5.098 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3c(Cl)c2OC)n[nH]1 1820237544 NHMFKUBRBPLUOF-NRFANRHFSA-N 478.980 5.334 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)c1 1820485084 OIQYZZDDSODFGP-HXUWFJFHSA-N 473.533 5.255 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)[nH]n2)cc1 1821181575 MWRYUQLRLZRIOC-NZQKXSOJSA-N 487.991 5.165 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CC1 1821242989 SQAXMODMABTEQU-QYWGDWMGSA-N 498.425 5.176 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2O)n[nH]1 1821348306 LAQHVDXCSBGAEU-CYFREDJKSA-N 488.588 5.212 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCNC(=O)OC(C)(C)C)[nH]n1 1821929512 WDUNXLAOLVATPZ-TZIWHRDSSA-N 489.661 5.089 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1)c1ccc(O)cc1 1822468628 OASQQPWJMWYWAV-RDGATRHJSA-N 476.621 5.275 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)c3cccs3)n[nH]2)cc1C#N 1822708444 JXTJODNDFDTJBQ-UTKZUKDTSA-N 491.617 5.240 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c1 1823212991 ODFPMFSFEIPYFI-IVZQSRNASA-N 479.943 5.449 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)[nH]n2)c1 1823216616 XSCCYBVASCDBTA-UUOWRZLLSA-N 485.563 5.214 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216835 OTONSFVCZRRQPQ-LUSXFWADSA-N 483.572 5.065 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4c(ccc5ncccc54)s3)[nH]n2)CCC1 1823378246 HBQQWWOZXYNTIL-FQEVSTJZSA-N 484.585 5.172 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1824056562 WPNBQNSKNCDFIW-LJAQVGFWSA-N 499.655 5.213 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Sc2ccccc2)CC1 1824389359 LTPOZSBXXKMCFC-NQHRYMMQSA-N 454.680 5.555 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1826310144 JOKLZKNLBIGQCR-NSOVKSMOSA-N 471.645 5.304 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1826693687 WQTHYGQNDMEHGC-VWLOTQADSA-N 465.544 5.169 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827345001 CAHPUIVMCMEGFK-GGAORHGYSA-N 490.069 5.183 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828320034 OKJVZCSCRMWCJZ-UWJYYQICSA-N 475.054 5.379 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1828821829 SCSKVVDRAIEATC-BJKOFHAPSA-N 491.598 5.421 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1828830051 QUZZNMGVOYZKPZ-DHLKQENFSA-N 486.056 5.300 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(Cl)c2)CC1 1828904117 PHMSMFARHBQWAD-QFIPXVFZSA-N 474.121 5.019 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2Cl)CC1)c1ccccc1 1829032058 ISXFCRRGZIKNPX-LADGPHEKSA-N 467.009 5.364 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccoc3c2)CC1)c1ccccc1 1829032129 DTBOXPRGSMBNBZ-AHKZPQOWSA-N 483.612 5.258 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1829455012 WKCSTZZUJNDPMP-IBGZPJMESA-N 476.429 5.474 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C)CC1)NC(=O)OC(C)(C)C 1829946780 IIKCXRKARYMYHO-UKILVPOCSA-N 497.680 5.088 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1830423287 LROWIXNHOOZEOG-VWLOTQADSA-N 489.664 5.274 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3onc4ccccc34)CC2)c1 1830926217 FGQFRDKPPAYZAA-DFBJGRDBSA-N 470.573 5.002 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1)c1ccc(Cl)cc1 1831308326 WKSMCJLLOXJGAF-SGQOLPOJSA-N 498.067 5.411 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831376544 PUXAPEIMAMGUKJ-IDISGSTGSA-N 473.617 5.007 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832031942 LKAPCWPOBCGKSY-ZCUZSRHZSA-N 459.634 5.303 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1 1832558168 RVVNPZVQUWPLLO-RBTNQOKQSA-N 469.629 5.738 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CCC1 1832785022 CDHQKGKVMPFNLF-XMMPIXPASA-N 469.585 5.513 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 1833076324 UDUCEYAOHBJFTC-FQEVSTJZSA-N 474.089 5.008 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1833076394 BVHWFRUQAKOLQK-RPBOFIJWSA-N 486.100 5.008 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(C)ccc3C)CC2)CC1)c1ccccc1 1838418392 XVRHGXQSRVLLKN-NDEPHWFRSA-N 486.656 5.113 30 20 JKED C#CCCC(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCc3ccccc3)CC2)CC1 1838824157 GXZGQWGCOWCAKL-UHFFFAOYSA-N 480.693 5.372 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Oc3ccccc3)cc2)c1 10172420 GIDTVERBTFVHEW-UHFFFAOYSA-O 479.625 6.614 30 20 JKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 10172611 GCBIOVGFQYZOAA-UHFFFAOYSA-O 479.669 6.849 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(OC(F)F)cc1 10172869 XSXWKJSHYUIING-UHFFFAOYSA-O 467.561 5.678 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)n(C2CCCC2)c1C 10286044 GOCJHRYMMJALQV-UHFFFAOYSA-N 498.052 5.767 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccccc2Cl)cc1 10826829 MTMRSNNLJGRGND-UHFFFAOYSA-O 469.074 6.537 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(CC)cc2)c1C 11164977 XGXRSZRACOOLMB-UHFFFAOYSA-O 478.638 5.326 30 20 JKED CCOc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3)=C2C)cc1 11206727 IHLVJPCDHVQWAK-RUZDIDTESA-N 468.582 5.305 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccccc1 11469607 ZWNAZFUOSHIRPY-KRWDZBQOSA-N 453.637 5.434 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1[C@H]1COc2ccccc2O1 16726601 AECVRZGGIZZHDN-MGPUTAFESA-N 470.982 5.058 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)NCCc2ccccc2)cc1 22735458 BZNWKYBSQJBVDA-UHFFFAOYSA-O 459.679 5.995 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NCCc2ccc(OC)cc2)cc1 22802789 LKQLRRWPQFZHGB-UHFFFAOYSA-O 461.651 5.440 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nc2sc(C)c(C)c2c1=O 23405159 ZBMKXUCQGJSYLM-HOCLYGCPSA-N 467.616 5.365 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 71887727 UWFRHKNHIBUHCS-UHFFFAOYSA-N 482.993 5.040 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 106115986 SUDJULNYJLCMAU-HNNXBMFYSA-N 452.308 5.223 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCc3c(C)cccc32)c1 195734338 AFPSUCFETXKBQZ-UHFFFAOYSA-N 466.990 5.233 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)N(Cc3ccco3)c3ccccc3)nc3ccccc3c2=O)cc1 302909814 JSDJHCITUHJVKV-UHFFFAOYSA-N 492.560 5.176 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)cs1 409515075 CRIDMJIORKVGPP-KRWDZBQOSA-N 473.602 5.112 30 20 JKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 481133832 IHONFRNYXXPWSX-XMMPIXPASA-N 473.548 5.509 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(OC)c1 481652613 DDOFUXGERPHTTN-DEOSSOPVSA-N 475.520 5.663 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(OC(C)C)nc2)nnc1-c1ccc(Cl)cc1Cl 483464708 ARAPEKMQRYJZLK-UHFFFAOYSA-N 492.432 5.029 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1)c1ccccc1 489224567 QGCFMKVNADANJH-UHFFFAOYSA-N 470.598 5.400 30 20 JKED CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 498320349 AFSZZFWFTMDNOT-GOSISDBHSA-N 454.592 5.095 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)cc1 498501802 CPPXIHJTZGJQLK-UHFFFAOYSA-N 457.559 5.415 30 20 JKED N#CCCn1cc(C(=O)NCc2ccccc2Oc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 499303447 WIKHDMOJYHMDQF-UHFFFAOYSA-N 467.485 5.094 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 501129310 HPOMBRWEDUJMSG-UHFFFAOYSA-N 474.524 5.125 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 501698590 NWRODFMGGUTPFU-UHFFFAOYSA-N 466.566 5.072 30 20 JKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)co2)cc1 503489192 PBDAOILVSBHWAD-UHFFFAOYSA-N 470.504 5.604 30 20 JKED N#Cc1ccc(CC(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 505023400 GWDVCKREVHYMJC-FQEVSTJZSA-N 471.504 5.455 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 508276760 WEEPZRWJMHUBCR-UHFFFAOYSA-N 462.525 5.094 30 20 JKED Cc1nc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)sc1SCC#N 508978925 JPEKHRXPQKAWDZ-NXHRZFHOSA-N 475.039 5.133 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CCC2 509715994 PRXWCPULTBLCNU-ORTNRGLGSA-N 499.611 5.759 30 20 JKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(OC(F)F)c1 510090752 SCCJCXKTCZJJGJ-LBPRGKRZSA-N 461.519 5.186 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2n1CCOC 514364751 RZTIFVWJRWPDKK-OAHLLOKOSA-N 450.029 5.093 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(CCc4ccc(O)cc4)CC3)c2)c1 515473638 JWKYJJQQEGPOIX-UHFFFAOYSA-N 468.557 5.393 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cccc(Cl)c4)n3)n2)cc1 516270060 MBKRLAADNIVGKB-KRWDZBQOSA-N 451.960 6.086 30 20 JKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 517890749 HQAKSVORLWTEMB-UHFFFAOYSA-N 488.975 5.564 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 519427610 PQBYBGGYEPQAFE-HNNXBMFYSA-N 471.376 6.125 30 20 JKED Cc1cccc(S(=O)(=O)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)c1 519428598 XKDNAVXVGBLZGL-HXUWFJFHSA-N 479.627 5.223 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1 520406119 BVIRUVZAKRQIEW-QHCPKHFHSA-N 493.426 5.827 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(Cc2ccc(Cl)cc2)n1 521722333 CEGKWKQTSQGQCD-MRXNPFEDSA-N 488.103 6.653 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccc(OC)c(OC(F)F)c1 523645352 QIHWHDISZQHJPB-UHFFFAOYSA-N 487.316 5.139 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)c1 524139361 CENSTOWPCOLORL-XMMPIXPASA-N 482.584 5.637 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 551104520 CHJBMPYYBDBINU-UZUQRXQVSA-N 497.020 5.128 30 20 JKED CCCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1ccccc1Br 567070465 XSEIXILWVLCBEQ-KRWDZBQOSA-N 460.441 5.552 30 20 JKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588954215 VHMUFXSGWLASON-NXEZZACHSA-N 476.299 5.350 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 591497832 LQVNICGDGPVFHT-FQEVSTJZSA-N 450.539 5.064 30 20 JKED C=CCN(C(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459400 XLRLINKMGZKKMP-KRWDZBQOSA-N 496.614 5.306 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c([N+](=O)[O-])cc1OC 603613581 CRRGWVMGTNCJHY-GFCCVEGCSA-N 465.409 5.121 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cn2)cc1 603690732 PFOWXRVBMZFVFK-FOLVSLTJSA-N 472.389 5.777 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 603969094 BDONMCQQUTVTNX-UHFFFAOYSA-N 463.518 5.335 30 20 JKED Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1Cl 603983994 XMJSUJFXQVLDMP-UHFFFAOYSA-N 461.370 5.748 30 20 JKED CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccsc1 604139289 QKDKEUHZOVRCMZ-JOCHJYFZSA-N 497.020 5.203 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)cc1 604361604 NUJMPSZTLJIVKD-UHFFFAOYSA-N 450.498 5.646 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1C 604450642 BLKZEEYTGKJOSW-HSZRJFAPSA-N 451.574 5.582 30 20 JKED Cc1csc(Sc2ccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cc2Cl)n1 608926607 CHVMMNUENXICFU-UHFFFAOYSA-N 466.979 5.148 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 609063265 UPHWRBRARDBNFY-UHFFFAOYSA-N 490.972 6.027 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 609078738 LVALXCOQZSRQLG-UHFFFAOYSA-N 477.948 5.582 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609089278 MNBJTJYNAQXCKY-UHFFFAOYSA-N 477.923 5.083 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1I 609378329 CKMOMNWWDXCWNU-UHFFFAOYSA-N 494.251 5.707 30 20 JKED CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1 609382308 ABDUZDBQWFLCTB-GOSISDBHSA-N 495.626 5.390 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)ccc1OC(F)F 609387381 ZNCDTEUKWNQJBV-CYBMUJFWSA-N 456.967 6.208 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 609406294 KHLXKJCPNFOGJC-LJQANCHMSA-N 485.609 5.185 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nc2ccccc2n1C(F)F 613404374 PHYHBIDRSJUYIA-SFHVURJKSA-N 499.304 6.481 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618295475 QWMZKTFTDHZXDX-GHMZBOCLSA-N 461.246 5.927 30 20 JKED C=CCn1c(SCC(=O)N(C)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 619188364 PSLRQRVJWWKOFD-UHFFFAOYSA-N 469.344 5.471 30 20 JKED CSc1ncc(Cl)c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 642281679 OTZDGACNEPHTEA-JTQLQIEISA-N 455.779 5.772 30 20 JKED O=C(Nc1ncc(Cc2cccc(F)c2)s1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642449838 JKEADRBQJDPOGC-IMRBUKKESA-N 469.426 5.904 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C#N)c(Cl)c1 726407798 AVZRFJAPAOLSCP-FQEVSTJZSA-N 472.973 5.501 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cc1 726409468 BDVIQZPTGHTCHK-NOZRDPDXSA-N 477.630 5.225 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)cn2)cc1 728115989 DCMMVQOMYBZNOH-NRFANRHFSA-N 452.436 6.133 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 728126468 MHGGBTFHDFIXSI-QZTJIDSGSA-N 474.527 5.633 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 728777174 ZWRGFITYBLTPJI-LJQANCHMSA-N 493.391 5.787 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O)NC1CC1 729142249 IVLBUJLYMFVGNX-GMAHTHKFSA-N 469.557 5.106 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1ccc(C(C)C)cc1 729668162 FBGOBXZVVXABSI-UHFFFAOYSA-O 451.568 5.090 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1C1CCCC1 730520521 MLIHJFCYOJNHFN-JOCHJYFZSA-N 451.592 5.161 30 20 JKED COc1c(F)cc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 730766393 OQNFTGWUYUFSAU-UHFFFAOYSA-N 491.338 5.370 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(OCc3occc3C(=O)O)cc2)ccc1SC(F)F 730949557 YBJBKHNJMFYCGU-XBXARRHUSA-N 460.454 5.776 30 20 JKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 730997007 GQEDZTZHHDZVOM-AWEZNQCLSA-N 450.532 5.269 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](c1ccccc1)C1CC1 731311568 CASSCFVGWAGQID-AOYPEHQESA-N 496.592 5.375 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1 745844549 WGBJCBTUFWZZEH-UHFFFAOYSA-N 461.587 5.284 30 20 JKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 746663796 HYVOSCFVOTUFDR-SHLVRQGHSA-N 483.421 5.031 30 20 JKED C[C@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)Nc3cnn(CC#N)c3)c2C1 747434451 MRVIBCNDZZUMBO-XSLGSPGOSA-N 476.584 5.396 30 20 JKED Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)Nc5ccccc5SCC#N)(C4)C2)C3)cc1 791161254 AGUMVJXPKFRWKR-VHDHYXBKSA-N 474.626 5.631 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(CC(F)(F)F)C2=O)cc1 799221852 UJMKZKHYVBSMLB-LJQANCHMSA-N 479.524 5.306 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@@H](C)CCc2ccco2)C1=O 837302179 SYISWSNGAVVQKX-GAJHUEQPSA-N 495.576 5.409 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(C3CCN(C(C)C)CC3)C2=O)c1 837546556 NSFVJPKFCUUYKW-XMMPIXPASA-N 478.662 5.137 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1F 838539891 HSXKVSZJRLWMRL-LHSJRXKWSA-N 484.503 5.220 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1C#N 857846129 HJJPCDVZFOGSFV-JKSUJKDBSA-N 459.571 5.128 30 20 JKED Cc1nc(C)c2c(C)c(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)sc2n1 874102928 SMSVMSSHCYVREM-UHFFFAOYSA-N 479.418 5.265 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914439051 GHSXNNVTWKFMKM-FOWTUZBSSA-N 483.105 5.659 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 914915892 GDTJLVGPUDITSD-OAQYLSRUSA-N 470.573 5.077 30 20 JKED C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 915086519 LJASMKVWOYKSJQ-RXFWQSSRSA-N 473.598 5.157 30 20 JKED COc1ccc(-c2cc(C(=O)N3CCCN(c4ccccc4C#N)CC3)c3ccccc3n2)cc1 915648485 GGILKZUNJWIRTG-UHFFFAOYSA-N 462.553 5.135 30 20 JKED N#Cc1ccccc1NC(=S)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 915994018 BGKIGOBZIIIZGH-UHFFFAOYSA-N 477.398 5.475 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 916208054 RXPQLOVLICJVNO-IBGZPJMESA-N 494.444 5.689 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c1 916212024 SZVJJOVTKGWHHI-NRFANRHFSA-N 467.978 5.710 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 916215612 VQQYECVFOVGGNG-KRWDZBQOSA-N 465.522 5.263 30 20 JKED CSCC[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 916628514 WAWZMEOUYPKGMV-UYAOXDASSA-N 496.013 5.058 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 916885769 BJABHJBIZXSEMP-HXUWFJFHSA-N 456.445 5.894 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CSc1cccc(C(F)(F)F)c1 916901703 AGEJMJNCNFFQED-CQSZACIVSA-N 456.873 5.116 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 916903977 VAAAEZXBFWFJLW-LJQANCHMSA-N 471.586 5.091 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)NC(=O)c3cccc(Cl)c3Cl)n2)cc1 916974795 QWOAKXUZBKYZMF-CZUORRHYSA-N 458.370 5.420 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2cccc(C(C)C)c2)cc1 917612792 AQQHBZWNIFTTPP-UHFFFAOYSA-O 488.677 6.390 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1Cl 917675978 JZSSHWUTHVSYCB-QFIPXVFZSA-N 486.037 5.067 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 917812685 AZSGMKXQGSABCE-UHFFFAOYSA-N 463.497 5.048 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 918110089 XQHYCZKEWUIDNX-HXUWFJFHSA-N 450.542 6.334 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccccc2SC(F)(F)F)c1 918165846 WGXHNYNLXUZFQL-LGUFXXKBSA-N 485.553 5.144 30 20 JKED CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 918551127 NGNSUXYPJNGGQY-LVWGJNHUSA-N 476.067 5.164 30 20 JKED FC(F)(F)c1ccc(-c2nc(C=Nn3c(S)nnc3SCc3ccccc3)cs2)cc1 918711591 RZIYSFRBGJUAEG-UHFFFAOYSA-N 477.562 5.884 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)n2)cc1 920143091 DVLLJVNGLMGFOA-SJORKVTESA-N 486.380 5.355 30 20 JKED COc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)ccc1C 920171178 SIYFWALDZJSDRN-HSZRJFAPSA-N 477.561 5.303 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@H]2c2ccccc2)c1C 920353160 BYCWTBRQIOZXFK-NZJKTDFXSA-N 491.657 5.072 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)cc1 920354781 FXSAYWODSCUTPJ-QFIPXVFZSA-N 462.575 5.014 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cnc(-c3ccccc3F)s2)c1 920698704 PIHKDMHKKIDEBN-QGZVFWFLSA-N 451.523 5.058 30 20 JKED C[C@H](COCC(F)(F)F)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 921254229 OHRGSWYDIXOULW-KDOFPFPSSA-N 499.942 5.268 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1514865057 RNHLAQSGACYJFT-DEOSSOPVSA-N 451.929 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1[nH]c3c(Cl)cccc3c1C)C2 1779271611 OZJSBLLZZWNTAU-RAKYAITLSA-N 484.040 5.026 30 20 JKED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1782353006 MJAVAIPNDJUIQD-OZPQMOCASA-N 499.095 5.321 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@H]2C1 1784172201 HLQSJPUGZBTWQS-KRHNNQOVSA-N 499.095 5.362 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785791224 BMKRWQIWOIGLBJ-UHFFFAOYSA-N 465.981 5.552 30 20 JKED Cc1ccccc1NCC(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786041121 KHCAJTXUHXOOIT-UHFFFAOYSA-N 466.585 5.046 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786058328 HNCBQTOKXPLEML-ZRBLBEILSA-N 481.637 5.026 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)cc3-n3nccn3)CCC2)cc1 1786102986 JOMHCASPLPGUSV-UHFFFAOYSA-N 469.589 5.092 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)cc2)CCC1)C(F)(F)F 1786180129 HDJDKCHLIRHNOQ-QZTJIDSGSA-N 464.434 5.321 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)CCC2)cc1 1786366900 DXOWPYQAADUVEH-UHFFFAOYSA-N 497.599 5.060 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1787616986 RFHGMJCLBBJJGD-QHCPKHFHSA-N 483.653 5.560 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4occc4Br)cc3)CCC2)c1 1788719373 YVZNJIGVODKGMK-MRXNPFEDSA-N 492.373 5.731 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C)sc34)cc2)CCC1 1788943807 MADQQLDCNLHCSE-UHFFFAOYSA-N 451.617 5.272 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc(C)ccc4c3)cc2)CCC1 1789034256 BCQPPJCTMBMOBO-LJQANCHMSA-N 458.562 5.092 30 20 JKED COc1ccc2c(/C=C/C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CCC5)CCC4)cc3)c[nH]c2c1 1789119033 JOMPCVOILBTXHW-NYYWCZLTSA-N 468.557 5.018 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cccc4ncsc34)cc2)CCC1 1789343969 WWRPPQXSKUZIQI-VAWYXSNFSA-N 487.606 5.545 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccn5cncc45)cc3)CCC2)c1 1789362000 OMLZSCDHIDULLF-LJQANCHMSA-N 463.541 5.023 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)Cc4c[nH]c5ccc(C)cc45)CCC3)cc2)c1 1790073901 AQJWOQUHUDHOAB-UHFFFAOYSA-N 492.579 5.347 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)c(F)cc4F)CCC3)cc2)c1 1790075774 KYASDDPDGDNVHA-UHFFFAOYSA-N 479.458 5.046 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccc(F)cc4F)CCC3)cc2)c1 1790255874 XWKHKHQHWCJMFU-UHFFFAOYSA-N 477.536 5.376 30 20 JKED CNc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cc1 1790766897 GEMWIWYMHCQOCZ-UHFFFAOYSA-N 458.949 5.315 30 20 JKED CC(=O)Nc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)cc(C#N)c4)cc3)CCC2)ccc1C 1790796231 DJKFNCKAYWBFNI-UHFFFAOYSA-N 480.568 5.195 30 20 JKED C#CC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccc(Cl)cc3)CCC2)cc1 1791211890 NTEZZVJNNNXAKB-QFIPXVFZSA-N 496.007 5.063 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791252138 INUOAQWLZCGJTQ-DCFHFQCYSA-N 483.653 5.370 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)c4ccccn4)cc3)CCC2)c1 1791944251 MSKWXCLXHSHROR-WOJBJXKFSA-N 452.558 5.260 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)nc4)CCC3)cc2)c1 1792123019 YNWFBAQWBSHQIZ-QGZVFWFLSA-N 492.501 5.789 30 20 JKED CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1)N(CC)CC 1792123088 IDHJBNKODORFFB-NLFFAJNJSA-N 460.622 5.182 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1 1792125397 YKOQHFDBZXVEHS-LJQANCHMSA-N 453.542 5.384 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ncc(Cl)cc3Cl)CCC2)cc1 1792236481 ITJBQJVMSJBOGL-UHFFFAOYSA-N 495.366 5.087 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C)CCC(NC(=O)OC(C)(C)C)CC1)C2 1792574627 IKWIOBHUYZBYMB-WXFFZTEDSA-N 489.701 5.091 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cnc2ccccc2c1)c1ccccc1 1792928293 CKMITPNWWCCBDB-PUHABZHSSA-N 479.624 5.003 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c1 1800686918 RUZYNWFILJTSOF-QDMKHBRRSA-N 480.754 5.223 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)cc2F)C3)c(Cl)c1 1800691237 CJJRQTAIIJLJKB-BTTYYORXSA-N 480.754 5.223 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F 1800704355 AYVVKKAAHGFNIA-PLACYPQZSA-N 485.600 5.193 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCc1ccc(F)c(Br)c1 1801447884 XJLTZVNKLDKRDB-RSPOEFSDSA-N 479.434 5.151 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CCCCC1)C(F)(F)F 1801584769 WYBNUEUWJVAAEM-ACDBMABISA-N 468.947 5.299 30 20 JKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc3ccccc3c1)C2 1802313299 UHZPBCXJQABXFL-NDBXHCKUSA-N 491.632 5.010 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2c2cccnc2)C1 1802406537 DFRRTQXMMVGHGO-NLFFAJNJSA-N 475.976 5.281 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)C1 1804860108 ZYRYDSHQSCKKKK-LEWJYISDSA-N 458.593 5.292 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1805059823 DHXDSHWSYASGAP-ATIYNZHBSA-N 488.607 5.528 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1806620173 FHIDFWSJWNEWKY-LSYYVWMOSA-N 459.634 5.136 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccs2)[C@H]1c1cccnc1)c1ccccc1 1807398359 CKTBDSDMOBYFCI-KHIIWQGESA-N 483.637 5.060 30 20 JKED CC(C)=CCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1807987084 DLVOPIBQNOZJRA-SMCANUKXSA-N 491.635 5.547 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3c(-c4ccccc4)noc3C)C2)CC1 1808044476 GRNXMSHESNCKSR-UHFFFAOYSA-N 461.606 5.263 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1c1cccnc1 1809701534 OBWCGJZHFXROHK-YADARESESA-N 462.569 5.014 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C)c3)C2)CC1 1810361328 XNRYVEUVYYNHHL-UHFFFAOYSA-N 457.618 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810590818 KGCHQZPFOPVBMA-DHLKQENFSA-N 498.067 5.834 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1812115563 RQWQAYBBKPXYCO-OLLUBJOZSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1812589977 DXRJRQSAQXKLNO-IQOKHDRSSA-N 474.432 5.239 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1)C(F)(F)F 1812678382 CROOVFPFZGJAGP-HYBUGGRVSA-N 495.501 5.312 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)CCCc3ccccc3F)[C@@H]2c2cccnc2)c1 1813863137 GNCZODBXGPEZPR-KFACBJOOSA-N 498.602 5.190 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CC3)n[nH]2)c1 1814471104 OSPBPZXVDSRYGP-NTKDMRAZSA-N 467.573 5.074 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccccc2)n[nH]1 1816953394 LTHCDSYBQMIQSC-QFIPXVFZSA-N 482.726 5.245 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1817742702 WCZKQGYSBFXJME-RUZDIDTESA-N 490.567 5.272 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(C)snc3s2)n[nH]1 1817829781 FKJXCFLQFYBBID-MAUKXSAKSA-N 469.636 5.464 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n[nH]2)cc1 1818165120 CSYANPXMELRPRY-JOCHJYFZSA-N 499.958 5.814 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)[nH]n1 1819555980 NDUIQXXSNZSKTE-QFIPXVFZSA-N 460.582 5.098 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820100620 JBDUPASJSWEUNW-SFHVURJKSA-N 483.544 5.394 30 20 JKED CCOc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1820650802 DERGWKLVYBAYAM-KOSHJBKYSA-N 471.561 5.055 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1820973111 CGFYWMNKSGXUAH-UGSOOPFHSA-N 499.921 5.189 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1 1821858110 IKIHRAQQKOAODR-OAQYLSRUSA-N 493.435 5.324 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)c1 1823215851 HOTNVDJPEOCBHC-SPLOXXLWSA-N 497.933 5.588 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1C 1823217335 KLOMNZKQDQWKOT-YADARESESA-N 455.562 5.273 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]n2)c1 1823217901 NJEAVZVATGCPFE-KSFYIVLOSA-N 461.953 5.310 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)cc2Cl)n[nH]1 1823247611 JKQWZGDLELAKPL-UTKZUKDTSA-N 456.974 5.146 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)cc1 1823682518 IKNBWJUASKSWHU-HHHXNRCGSA-N 486.591 5.045 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)cc1 1823682885 MBIRZUMHSLRCNQ-JOCHJYFZSA-N 499.442 5.126 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824389507 OFDPIRMWHXGOOK-DVECYGJZSA-N 496.076 5.626 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1824824756 HYRJCPVQHYMWRP-WHVGEVHXSA-N 477.555 5.092 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1825219227 LBJGTFUDQNJOLZ-HSZRJFAPSA-N 493.614 5.645 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CCc3cncc(C(F)(F)F)c3)sc2C1 1826557610 LEINNUKBFCDYBH-KRWDZBQOSA-N 494.583 5.094 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNc2ccccc2C)CC1)c1ccccc1 1827007289 ZYONVYUOHRICQM-PXJZQJOASA-N 485.672 5.224 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1827730823 QXLYTEDPLCBKQL-VWLOTQADSA-N 493.648 5.576 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)CC2)c1 1827762487 SDBFKJYUDPZBMT-MUUNZHRXSA-N 478.596 5.167 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 1828829513 INOAKFQGCFYEHM-SXOMAYOGSA-N 464.650 5.477 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)n1 1828904092 NTSQBIDWTHWHGE-HSZRJFAPSA-N 487.786 5.551 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1829066648 PBMZJIKCFPBWDF-IBGZPJMESA-N 454.533 5.524 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829068894 VXHGIDIZLHMCJA-QHCPKHFHSA-N 456.030 5.437 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830012327 FVGLYSHJJJIQSI-VWLOTQADSA-N 482.584 5.069 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1830016012 AEFDACPJKQPKRN-OAQYLSRUSA-N 471.935 5.037 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1830017324 XCOFHXFNCCAWSI-HSZRJFAPSA-N 471.935 5.037 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1830414877 IWWPRIYLXYCNTK-NVQXNPDNSA-N 490.648 5.091 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1830441169 VHWXTCITUKOXGI-LAUBAEHRSA-N 484.534 5.212 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)cc1 1830627022 HUQHNJWIWFSEFV-RUZDIDTESA-N 481.999 5.021 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1830769824 WWUYYNKBXKOLKX-WIOPSUGQSA-N 475.555 5.018 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)c1 1830778457 ZIMFLSDXOFFLIL-JOCHJYFZSA-N 488.470 5.356 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1831376035 ILTBGDVJQZREIE-KKSFZXQISA-N 454.508 5.290 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1831589295 BRKNDXDNUBIGGU-WGGMLVHQSA-N 485.628 5.269 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1831851640 OTNPOFCFRBBFFG-QFIPXVFZSA-N 461.631 5.191 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832199787 AYBLFMMWAWNELO-AJCDHNSESA-N 470.617 5.045 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C)c(F)c3F)CC2)c1 1832616606 IBHMSNNOKASEGI-HSZRJFAPSA-N 465.544 5.000 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)c1 1832634816 WFBHNGPMHOTXCY-AMGIVPHBSA-N 487.644 5.486 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1Cl 1832661168 WFELTYYSGRYBFB-DFBJGRDBSA-N 494.035 5.523 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)CCC1 1832784150 JTTKOSLFUCFIET-JOCHJYFZSA-N 486.538 5.114 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(CCC)cc3)CC2)CC1 1836697145 VTXGJWBXZUVTQW-UHFFFAOYSA-N 452.639 5.020 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)CC1 1838221686 UHQWAGDUNCZDMX-JOCHJYFZSA-N 484.040 5.202 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(OCc3nc(C(C)(C)C)cs3)c1)C2 1845981226 JHQAZPVTZVDTGD-IBGZPJMESA-N 481.662 5.049 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc(C(C)(C)C)cc1 10174394 NQRVMHQSLTXDIO-UHFFFAOYSA-O 451.681 6.563 30 20 JKED Cc1nc(CSc2ccccc2C(=O)OCC(=O)Nc2ccccc2SCC#N)cs1 10574034 WSJIDGKJTSLXBF-UHFFFAOYSA-N 469.613 5.155 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nc2sccc2c1=O 11116831 MZUJBYQIPOHEPQ-UHFFFAOYSA-N 450.467 5.005 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1cccc(C(F)(F)F)c1 11153127 YKPGWFQSUJVSBS-UHFFFAOYSA-O 459.513 5.615 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2c(C)cccc2C)cc1 11153499 VWGYJCCDAXNKMU-UHFFFAOYSA-O 467.605 6.824 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccccc1C(F)(F)F 11156764 AJJLYAAQIDWWFL-UHFFFAOYSA-O 474.484 5.514 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(Br)ccc3Cl)s2)cc1 14621479 CUZXNFRLQXMYSA-UHFFFAOYSA-N 465.785 5.370 30 20 JKED COc1cccc(NCc2nnc(SCC(=O)Nc3sccc3C#N)n2C2CCCCC2)c1 22719195 HPFYIZIGLWGGRA-UHFFFAOYSA-N 482.635 5.068 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 22733114 IUFYLNGZQWWCLP-UHFFFAOYSA-O 488.460 6.683 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 23518476 XBEXGWBTGTZKHX-INIZCTEOSA-N 474.989 5.572 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1nc(-c2ccccc2)cs1 26023164 QWHUYVWTXSCFCP-OAQYLSRUSA-N 494.605 5.421 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 26820851 FOZMMAYRECRNAE-UHFFFAOYSA-N 498.633 5.922 30 20 JKED C=CCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2cc(-c3ccccc3)sc2c1=O 28137895 OYSOAYBBGYVIDN-UHFFFAOYSA-N 493.013 5.265 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 32503652 SZFNFMHGHPZGFJ-UHFFFAOYSA-N 489.018 5.233 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)cc1 72020717 WHZCNEHIHCWUHE-UHFFFAOYSA-N 468.538 5.471 30 20 JKED Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)OCC(=O)Nc3ccc(CC#N)cc3)c12 105434331 BLOFLTSDULLPEB-UHFFFAOYSA-N 494.429 5.079 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)c1 107899603 MUSVXMJEIAIMKY-UHFFFAOYSA-N 491.598 5.189 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 110619139 BCFULJSTCLXSAQ-NYMACZPPSA-N 480.568 5.466 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(CCc3ccccc3)CC2)cc1 195554543 KQTNZTLGPQOMMM-UHFFFAOYSA-N 455.627 5.287 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc(-c2ccccc2)cs1 195602473 PIYXTMQTUBELIW-UHFFFAOYSA-N 494.414 6.379 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 195720728 VZOCPQGJCGRZFR-KRWDZBQOSA-N 466.349 6.231 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 302932678 HIOVRMLKWHFFJZ-UHFFFAOYSA-N 454.477 5.068 30 20 JKED C=CCN(C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)c1nc(C(=O)OCC)cs1 409833415 SNMWLDZJUPLIAH-UHFFFAOYSA-N 470.551 5.001 30 20 JKED COc1cc(-c2noc(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)n2)ccc1OC(F)F 485990351 QXSWTKFGPFSDDI-UHFFFAOYSA-N 496.495 5.654 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)CC2)cc1 489673881 DHAFZWCNLHLNCA-UHFFFAOYSA-N 495.988 5.043 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCC3CCN(Cc4cccs4)CC3)c2)cc1 490641543 QIEWTBDEIKMEGW-UHFFFAOYSA-N 474.630 5.427 30 20 JKED C=CCN(C(=O)CCNC(=O)c1ccc2ccccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498287969 NJFROQVSBZHCPD-UHFFFAOYSA-N 486.553 5.211 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 501625057 GETWVGZWSAACAT-MRXNPFEDSA-N 486.557 5.295 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)n2)cc1 502762700 KCWPHHDOOHOFDC-GOSISDBHSA-N 468.460 5.513 30 20 JKED COc1cc([C@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1OCCC(C)C 511003573 ZVILWKUZUUFLRZ-FQEVSTJZSA-N 465.594 5.306 30 20 JKED CCCCN(C)CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 511566203 OFMWWKWNOCGLBP-DEOSSOPVSA-N 453.030 5.971 30 20 JKED C=CCOc1c(Br)cc(CNc2ccc(N3CCCC3=O)c(OC)c2)cc1OCC 512966506 IPFDEALWZQXJNF-UHFFFAOYSA-N 475.383 5.160 30 20 JKED C[C@@H](Oc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cn1)c1ccccc1 515925901 XZRSVFMBNSZOFW-LJQANCHMSA-N 462.509 5.598 30 20 JKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 519913975 YCCITLWDWCVFRS-UHFFFAOYSA-N 459.546 5.403 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 520356177 FCJRSPCBRAMEMA-UHFFFAOYSA-N 488.572 5.336 30 20 JKED Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1NC(=O)c1ccncc1 520745365 CFPSNSVQVHVERV-UHFFFAOYSA-N 462.509 5.345 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)oc12 523209573 PSQVBISECSBWIJ-KRWDZBQOSA-N 499.523 5.320 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCc3c(Br)cccc3C2)cc1C 523672843 JEWGABKHOBSFQP-UHFFFAOYSA-N 463.379 5.042 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 524436469 XIHFCUOGIWBXFB-QHCPKHFHSA-N 468.601 5.747 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)NC1(c2cccc(C(F)(F)F)c2)CC1 550726514 DZLUVHSWBGMVCI-UHFFFAOYSA-N 464.381 5.933 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccccc1OC 553803767 DWZWGUNLJNEDTH-MRXNPFEDSA-N 476.558 5.208 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3sc(C)nc3cc2OC)nnc1-c1ccc(Cl)cc1 588378538 CBMSWEOAARPSCF-UHFFFAOYSA-N 486.022 5.442 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccco3)n2-c2ccccc2)sc2c1CCC2 589938014 MOYLWBQBEQIBRC-UHFFFAOYSA-N 461.572 5.070 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C2CCC2)c1 590476443 GMRGQUJLYVSBDE-JOCHJYFZSA-N 459.011 5.126 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccco4)nc4ccccc34)n2)cc1 591861711 CPIYLRLCNCIRJG-HXUWFJFHSA-N 451.507 6.117 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 603527577 RMQIRYLYRGSYRV-UHFFFAOYSA-N 454.393 5.424 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)o1 603959780 QIFLRFNERUGKBI-FQEVSTJZSA-N 484.339 5.280 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)c2)c1 603995481 FPZBGGGFEYHMJZ-IBGZPJMESA-N 493.489 5.079 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3Oc3ncccc3C#N)[C@H](c3ccco3)C2)cc1 604007585 ZBGIGEMEKQFKPI-DEOSSOPVSA-N 493.523 5.137 30 20 JKED COc1ccc([C@@H](CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)NC(C)=O)cc1 604027400 XMMKUGWBNVALHY-HSZRJFAPSA-N 463.921 5.219 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3CN3CCCC3=O)cc2Cl)cc1 604090400 XUFALXDNIVJFMC-UHFFFAOYSA-N 474.948 5.448 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccnc(N4CCCCC4)c3)cc2Cl)c1 609080857 WCCBJTXJKFUESZ-UHFFFAOYSA-N 475.980 5.498 30 20 JKED COc1cccc(N2CC[C@@H](NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 609115470 HYAGRZBBVZEDFY-YKSBVNFPSA-N 460.965 5.404 30 20 JKED CC(C)Oc1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(C(F)(F)F)c1 609212803 YTHCGZFGTZODHF-UHFFFAOYSA-N 483.494 5.267 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)cc2F)c1 609227108 YSCFCDQNVUHMDH-VWLOTQADSA-N 491.950 5.526 30 20 JKED N#CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CCC3)CC1 609329727 APAZGQWTZCPOOL-CZIZESTLSA-N 471.004 5.483 30 20 JKED COc1ccc(-c2cc3ncn(CC(=O)Nc4ccccc4SC[C@@H](C)C#N)c(=O)c3s2)cc1 609370600 HOIHIVLJUCCODT-INIZCTEOSA-N 490.610 5.024 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2cc3ccccc3cc2c1=O 609370801 YKYBGKZCEFHSAT-KRWDZBQOSA-N 488.638 5.552 30 20 JKED Cc1ccc([C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2ccc(F)cc2Cl)cc1 609374409 VZNDDCCCFALLEO-RUZDIDTESA-N 475.955 5.157 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1ccccc1 609403079 RIMPWISCXIQKHG-FQEVSTJZSA-N 475.614 6.190 30 20 JKED C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613402592 DFZGLUTXMGYYRU-KSSFIOAISA-N 474.007 5.003 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2csc(-c3cc(Br)cs3)n2)cc1 616992913 YBHQAXCYJGDIER-UHFFFAOYSA-N 463.382 5.194 30 20 JKED O=C(Nc1cccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1)c1ccc(F)cc1 618304661 XUCJJHBUCCIVRR-GJZGRUSLSA-N 462.365 5.281 30 20 JKED N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 619685503 BBACQQBBDPYISJ-UHFFFAOYSA-N 479.319 5.023 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 622545251 HNWGUWAAPXMEOU-LLVKDONJSA-N 465.413 5.172 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 624855112 UUIGNEHSRQIXPC-LHHMISFZSA-N 490.410 5.467 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 626588547 YPHJGNLTEJXNIY-UHFFFAOYSA-N 456.424 5.453 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)c1cn(CCC#N)c3ccccc13)CC2 673807886 OEIKFSCJNJKGKU-SSEXGKCCSA-N 479.580 5.403 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 725736645 SNUMPENCACBFLY-OAQYLSRUSA-N 465.619 5.227 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C#N)c(Cl)c1 726406889 MTJFDQLSVWDYIG-GOSISDBHSA-N 494.926 5.601 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 726415148 INBJIHAOIWDCII-NTKDMRAZSA-N 488.613 5.590 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC(C)C)cc1 726415354 KAVCPLHJLBYHRU-IBGZPJMESA-N 490.412 5.374 30 20 JKED C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1OCC 726428030 CXXPFRRLNJRGKP-VQHVLOKHSA-N 474.351 5.276 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(-c3ccccc3)cc2)cc1 726571441 JJGIGPLBGHJYKE-UHFFFAOYSA-O 497.043 7.052 30 20 JKED Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccc(C#N)cc1 728371855 ARVMILGBYGLWNC-MRXNPFEDSA-N 455.436 5.169 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1c(Cl)cccc1Cl 728411828 MNOGLMMHBUXULI-CYBMUJFWSA-N 483.142 5.151 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C2/CN(c3ccccn3)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728699603 VKJWMCJAZUXNMP-ILYLVNGUSA-N 490.563 5.220 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)c1 728777128 IXYAXKWFVKZCKP-DEOSSOPVSA-N 486.597 5.503 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(Cl)c2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729145044 HJPIMWQBODYMTQ-IRLDBZIGSA-N 490.000 5.097 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C(=O)OC)co2)[n+]2ccc(Cc3ccccc3)cc2)c1 729668799 PPHABDYNMBICKX-UHFFFAOYSA-O 499.612 5.558 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 729889595 QQCVVKACQMDNSV-XMMPIXPASA-N 453.542 5.049 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)S/C2=N/[C@H](C)c2cccs2)s1 730730533 WPKFGSDKPKHZPC-YMRADFHHSA-N 485.660 5.059 30 20 JKED C#CCOc1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 731040376 GKFSUYBYDHZWIH-JOCHJYFZSA-N 480.318 5.161 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)nc1C 731225334 ZMALEDMRSXFKBI-IBGZPJMESA-N 479.656 5.657 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H]2c2ccc(OC)cc2OC)c1=S 732485167 NJUMNBOKGCDRRH-NRFANRHFSA-N 454.571 5.218 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2oc3ccccc3c2CSc2ncccn2)c2ccccc21 742948844 ABMZAFMWDUIFMO-UHFFFAOYSA-N 496.548 5.423 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1F 743526245 UOCOYCKBIFNFLO-KRWDZBQOSA-N 464.349 5.034 30 20 JKED COc1ccc(-c2nc(SCc3csc(Cc4ccc(Cl)cc4)n3)nc(O)c2C#N)cc1 746394053 VVHOZXNBZQATNE-UHFFFAOYSA-N 481.002 5.722 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 839443314 USGHWMHGJOQQGH-RUZDIDTESA-N 452.583 5.524 30 20 JKED N#Cc1cccc(COc2cccc(CNc3cc(N4CCOCC4)ccc3Br)c2)c1 864013550 ZTPZLZWUUFNYIF-UHFFFAOYSA-N 478.390 5.348 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccccc3Br)no2)CC1 904966911 UOSGSIPTDRVOHH-UHFFFAOYSA-N 466.295 5.003 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914501747 LRUIWRODSDOASN-MOSHPQCFSA-N 469.657 5.038 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)Cc3ccco3)C2=O)c1 914690874 IDVLCHAJWWNTOY-WMZHIEFXSA-N 461.587 5.488 30 20 JKED COc1cccc([C@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(F)cc3)=C2C(C)=O)c1OC 916159400 SBCJAGBHJXQFNO-XMMPIXPASA-N 460.505 5.110 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 916204550 AHPJCIIOKCJWBS-HXUWFJFHSA-N 468.941 5.035 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(SC(F)F)cc1 916213311 AWQISUIWFWLMNF-GOSISDBHSA-N 497.564 5.137 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(C)c(C)c1 916216752 YGILQKYUFXEKKI-IBGZPJMESA-N 472.954 5.011 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CC1 916217647 TUNBNPNNJQCCSW-GOSISDBHSA-N 472.408 5.189 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cccc(NC(=O)c2ccccc2Cl)c1)CCCCC3 916272918 NOEAAOBPNIPAFD-UHFFFAOYSA-N 491.016 5.823 30 20 JKED CC(=O)N(c1nc(C=NN(Cc2ccccc2)Cc2ccccc2)cs1)c1ccc(F)cc1F 916368038 VEEQINKRJPLSHL-UHFFFAOYSA-N 476.552 6.142 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927812 OTRDGDFFEMVKPF-AWEZNQCLSA-N 464.761 6.040 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2c(SC(F)F)nc3ccccc32)cc1 916953306 BLWFSQIKAVCIFC-PBHICJAKSA-N 456.518 5.212 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCCN(c4ccccc4C#N)CC3)[C@@H]2c2cccs2)cc1 918575963 VUSKSAYAAIBMQL-RBJSKKJNSA-N 498.652 5.151 30 20 JKED C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)c1 919837896 PYZMITQMGRLDCZ-UHFFFAOYSA-N 482.989 5.299 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 920110689 GGICOKTVDHQYQU-CYBMUJFWSA-N 470.790 5.722 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc4cc(Br)ccc4c3)n2)cc1 920140331 DPHQNMMNRYHUMP-NRFANRHFSA-N 488.366 5.853 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)n2)cc1 920140392 FUAUCHSXPBCMFK-FKVRIVCVSA-N 455.539 6.439 30 20 JKED COc1ccc(C2(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CCOCC2)cc1 920324746 SZKZUDGRBMFZMJ-KRWDZBQOSA-N 460.477 5.248 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 920355092 JXXVXCANFMHQTG-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2)n1 920441505 KDAFIYJXSURZGV-UHFFFAOYSA-N 481.581 5.344 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)cc1C 921253926 RMJKOSZGHSUIHS-PXNSSMCTSA-N 493.551 5.231 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2OCc2csc(C)n2)c1 926690566 PISZQRMAFDLOPS-IBGZPJMESA-N 477.586 5.140 30 20 JKED C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1507859476 XDZABWUXNYIDJX-UHFFFAOYSA-N 469.014 5.342 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CCO2)C1 1779241730 YCBNGWBEMQMURA-WJOKGBTCSA-N 497.639 5.338 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)CCO2)C1 1783106303 BONRVFKDHSWRSW-NIYFSFCBSA-N 492.582 5.409 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c1 1786040663 FPZIAJQUVANRQS-WYMLVPIESA-N 483.593 5.126 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)[C@H]5CCCCC5(F)F)cc4)CCC3)c2c1 1786465291 NVIURYGAAHEDPE-HXUWFJFHSA-N 477.515 5.008 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H]3C)CCC2)cc1 1786546274 NLKGLDHXFXCJRQ-NYVOZVTQSA-N 469.626 5.026 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(OCc5ccccc5)cn4)CC3)cc2)CCC1 1786788406 RNIVHOQOCHESOQ-UHFFFAOYSA-N 493.607 5.240 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4scnc4C4CC4)cc3)CCC2)cc1 1787186295 JRNIKCNYJSEZCK-UHFFFAOYSA-N 456.571 5.148 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3=CCCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1787624572 ILDCYAJEKUAXMJ-QFIPXVFZSA-N 467.610 5.090 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Oc5ccc(Cl)cn5)cc4)CCC3)cc2)CC1 1787880725 YXFRFUVFDFZHCM-UHFFFAOYSA-N 486.959 5.579 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COCc4ccccc4)cc3)CCC2)c1 1787894229 RERWJAFKOOLMBY-NRFANRHFSA-N 467.569 5.278 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787949877 PPFDVUMGXSBSKZ-NJGNLAFQSA-N 496.611 5.211 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4csc5c4CCCO5)cc3)CCC2)c1 1788397842 NNCSYMLQRHSJJV-UHFFFAOYSA-N 457.555 5.006 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCC1 1788687347 QNBNLDFNUPCGOX-OAHLLOKOSA-N 454.979 5.666 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)coc3C)cc2)CCC1 1788787579 XQEXPBLWPSTLPL-UHFFFAOYSA-N 464.484 5.337 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)CCC1 1788888605 WXFWPZBQNHVDMH-UHFFFAOYSA-N 474.564 5.953 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CCC1 1788899859 OQHHDRZDOCVBKB-UHFFFAOYSA-N 490.676 5.257 30 20 JKED CN(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)c2ccccc12 1788991190 YVLKZJGELFJDOV-UHFFFAOYSA-N 477.568 5.167 30 20 JKED CC(C)(C)n1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)cn1 1789507813 XBYQSESYUBIFBE-UHFFFAOYSA-N 478.713 5.437 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cnn(C)c3Cl)CCC2)cc1)c1ccccc1 1789600916 VUSXNNLSHYCYEC-QFIPXVFZSA-N 474.992 5.018 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4[nH]cc5c4CCC5)cc3)CCC2)c1 1790007167 RLDSYSIWOHQETO-GOSISDBHSA-N 452.558 5.192 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790592743 ULHJSWVOQYUXQE-XMMPIXPASA-N 459.615 5.451 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(F)c(Br)cc4Cl)cc3)CCC2)CC1 1790648267 LVWHEDPGQOZRAB-UHFFFAOYSA-N 490.760 5.293 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cc5cccnc5cc4F)CCC3)cc2)cc1 1790707891 SKPIQLGXRISGFT-UHFFFAOYSA-N 492.554 5.430 30 20 JKED CCn1nc(C(C)C)cc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790764840 MKPCOHHNZUORCI-UHFFFAOYSA-N 473.552 5.099 30 20 JKED Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)S)cc2)CCC1 1791571049 YSJJDLZCWKURQT-AVRDEDQJSA-N 497.661 5.013 30 20 JKED CO[C@@](C)(C(=O)NC1(c2ccc(NC(=O)[C@H](C)S)cc2)CCC1)c1cccc2ccccc12 1791577679 QULPNQDBUNJDJR-HFJWLAOPSA-N 462.615 5.154 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3c(F)cncc3F)CCC2)cc1)c1ccc(O)cc1 1791646306 KKGORXHOHJIIJN-LJQANCHMSA-N 489.522 5.010 30 20 JKED O=C(CCc1cncc(C(F)(F)F)c1)Nc1ccc(C2(NC(=O)C(F)(F)C(F)F)CCC2)cc1 1791772309 QRNSLFMRLUXTDT-UHFFFAOYSA-N 491.407 5.068 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)(Cl)Cl)CCC3)cc2)c1 1792126604 GTFUWTFLKNWPNT-AWEZNQCLSA-N 464.780 5.432 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)c(F)c3)cc2)CCC1 1792186851 QQFIHQCOSRPBMN-GOSISDBHSA-N 481.568 5.163 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)c(Br)cc4F)CCC3)cc2)CCC1 1792233578 SVKPVSNBJWWPGV-UHFFFAOYSA-N 488.332 5.169 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ncccc13)C2 1798334208 PDHNTESKAONQJM-UEQSERJNSA-N 480.612 5.317 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)c(F)c2)c1 1800407562 AGFWISIJNFDTQI-PPRPKMEESA-N 473.470 5.037 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[C@H]2c2cccnc2)C1 1802414847 ZPCJUHQAPHTDLV-MBSDFSHPSA-N 484.427 5.092 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1802500648 NNVUDJCNGWNAHF-XNMGPUDCSA-N 488.676 5.384 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1802740539 XPOCIVPZIFNQTE-CZZAQMAHSA-N 487.003 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1803082672 WXDCMYNOULMUFG-UGKGYDQZSA-N 480.659 5.149 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC3(CCCN(C(=O)CCc4ccc(C#N)cc4)C3)CC2)cc1 1804758097 WNHOWZJJABMSSP-DEDYPNTBSA-N 487.669 5.337 30 20 JKED Cc1cc(C)c(OCC(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)C2)c(C)c1 1805862140 XGDJAPLBNJIPKI-UHFFFAOYSA-N 494.035 5.061 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1806087971 RJPNHYSNXQDXAR-REWPJTCUSA-N 476.646 5.312 30 20 JKED CC#C[C@H](CC(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1)c1ccc(O)cc1 1808536498 LFYCOXPJEJNOQM-VKOGLJSISA-N 499.655 5.127 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3cc(C)[nH]c23)[C@@H]1c1cccnc1 1809267774 KBKICFFKUYUIQA-DHLKQENFSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1810177290 DMRNSRVMBXFLFC-PQNGQFLHSA-N 451.998 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1810500614 AGQLYFIWPKESRG-VGSWGCGISA-N 475.967 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1810503942 SYGVXODKTSZVEH-OFVILXPXSA-N 491.035 5.595 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)n3ccccc23)[C@H]1c1cccnc1 1811262730 CYJYDDLXSQYINY-OMRWSRCMSA-N 492.623 5.533 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc(F)cc2)[C@@H]1c1cccnc1 1811551441 KRLNYWRMACWYMJ-CUBQBAPOSA-N 498.602 5.371 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)c1 1811725766 LAJSQNJEXPOHCR-JPYJTQIMSA-N 497.357 5.033 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c(Cl)c1 1811850366 PUYNVTPOJULMPM-ZEQKJWHPSA-N 484.987 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811873793 RSLQIZCVXZBZNZ-ZTCOLXNVSA-N 496.533 5.060 30 20 JKED CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CCCCC1 1811874201 YGBZOTJYRJVZRI-REWPJTCUSA-N 498.549 5.262 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)[nH]n2)cc1 1814381769 RPSYRRIEVMSZBS-WDEPAJCISA-N 493.611 5.028 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1815206771 DKANKGWEOFQDIE-RUZDIDTESA-N 487.604 5.069 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817765050 ZASLYTOGZRATFP-FQEVSTJZSA-N 483.494 5.128 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818214895 WFDGJVZTSCSUQP-FQEVSTJZSA-N 477.531 5.310 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)nc(CC)c2)n[nH]1)c1ccccc1 1818366726 NTUGFVIQJCTAQK-AZGAKELHSA-N 483.616 5.179 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)nc2ccccc12 1818657813 FTTXQSFBZIBDPV-SIBVEZHUSA-N 492.583 5.513 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccn(C)c34)n[nH]2)c1 1818726803 FGGUFLVRWXZNLP-HOYKHHGWSA-N 480.572 5.148 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818774673 ADHHSNHCODPHHD-GOSISDBHSA-N 454.983 5.387 30 20 JKED CC1=CC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CC1 1818807459 BQEIOMHEXGLWSU-DYESRHJHSA-N 485.510 5.352 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)n[nH]1 1818817112 ZYGSDKSSAMNFNW-HXSOTZQLSA-N 487.604 5.374 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc(Br)ccc3c2)n[nH]1 1818985349 YEJHQDSTZZPMSL-HXUWFJFHSA-N 467.367 5.207 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1Cl 1819029143 PHXZASSXWLUGJJ-INIZCTEOSA-N 496.017 5.831 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3ccc(OC)cc23)n[nH]1 1819059270 VXPGHPRRMFKDHV-JOCHJYFZSA-N 463.582 5.198 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccsc2)[nH]n1 1819385321 NAMCLEWHOYLOMU-OAQYLSRUSA-N 470.715 5.147 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[nH]n1 1819553906 ZAISSKKFIJOFFT-GRLIWSMHSA-N 489.664 5.772 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)[nH]n2)c1Cl 1820218932 HROPLRPAEKVJCF-INIZCTEOSA-N 491.857 5.166 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)c2ccccc2n3CC)n[nH]1 1820226478 YTUHZSKBXSZICU-BCHFMIIMSA-N 499.615 5.435 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)cc1 1820547595 UENYBNWZTXQSCI-HXUWFJFHSA-N 473.533 5.255 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)[nH]n2)cc1 1820549036 FGQDDYLSLNGNRT-OAQYLSRUSA-N 472.936 5.036 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)n[nH]1 1821480896 XQHALVWVHDERQX-QGZVFWFLSA-N 490.789 5.189 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)[nH]n1 1821921433 PULJPVUBWVTVEJ-XOBRGWDASA-N 484.398 5.172 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c1 1823217077 PRSAVNDBHNYAAH-PMLWBMQCSA-N 459.594 5.169 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(C)c1 1823218189 PTDFAJMUYTXENY-NTKDMRAZSA-N 455.562 5.273 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)[nH]n2)cc1C#N 1823292548 NQHARNMMGKNJIH-QHCPKHFHSA-N 497.555 5.434 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)C1 1823701120 ADHQMERCIDTXOE-NRFANRHFSA-N 452.492 5.044 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824389518 OFDPIRMWHXGOOK-YADARESESA-N 496.076 5.626 30 20 JKED O=C(c1cc(-c2ccccc2)n2ccccc12)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824410979 FMSAPAVGHPUDBK-HHHXNRCGSA-N 479.624 5.253 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1824499992 ALCRAVKDCSDOFT-BDYUSTAISA-N 472.645 5.168 30 20 JKED Cc1nc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1825867052 UPTKTLVVFVTNNR-QFIPXVFZSA-N 473.759 5.044 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1)C(F)(F)F 1826570688 MDYOQOJPPQETMS-HXUWFJFHSA-N 456.936 5.011 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC#N)CC1)c1cccc(NC(=O)OC(C)(C)C)c1 1826691371 QPGDXOZEUJWIEQ-HYBUGGRVSA-N 496.652 5.061 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1F 1827682056 YKEHQFSOBSIOJT-IYNHSRRRSA-N 496.648 5.187 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CCC(CC2)CC3)CC1)c1cccs1 1827684789 UCWNUBUYPFJDQR-SEXVNKPSSA-N 468.663 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)CC1 1827720360 XOXBALUKNQUUDA-QHCPKHFHSA-N 480.678 5.431 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1)c1ccc(O)cc1 1828045052 BNGXEPOBHULDKI-ABYGYWHVSA-N 497.639 5.304 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1 1828410080 IQKWVPJGZINEND-QHCPKHFHSA-N 462.726 5.330 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)cc1 1828458385 CTWRFKPHMRXHFO-CYRJMILMSA-N 461.650 5.398 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1828826245 AFGTYGIBYORXFA-RSXGOPAZSA-N 481.656 5.428 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828828670 PFWNFVURHGTLSE-NFBKMPQASA-N 469.029 5.218 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1828830306 SSVVZZLXZOKAPM-DNQXCXABSA-N 468.638 5.014 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccnc2Cl)CC1)c1ccccc1 1829029953 IFZVYZIDSRUENC-VWNXMTODSA-N 496.026 5.305 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1)c1ccccc1 1829031322 YJIOSENPGKEWIG-RSXGOPAZSA-N 493.598 5.450 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1829071466 QDGYMARFOVUWPJ-VWLOTQADSA-N 479.665 5.571 30 20 JKED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CCCCCC(C)(C)C)C2)C1 1829355855 FYMZFQURIOMPGS-GDLZYMKVSA-N 497.680 5.011 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829648419 UVEOSYKLSCAGMI-QGZVFWFLSA-N 473.898 5.035 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1Cl 1829688899 NKRQAXPYEQSTQA-JHUUHBRDSA-N 461.993 5.158 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831031565 GUIBHRWYXRNKQA-LJQANCHMSA-N 498.496 5.026 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)Cc3cccc(Br)c3)CC2)C1 1831715352 FDIXZZHHJCUFAN-YADARESESA-N 487.482 5.214 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1831840132 BYYGRMHBLZXTSW-RDTXWAMCSA-N 451.057 5.106 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831846443 RTIYKCCJHQATCD-PGRDOPGGSA-N 463.087 5.090 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1831858048 CCNBORGFRYPRFL-QHCPKHFHSA-N 461.631 5.706 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc43)CC2)cc1C#N 1831979768 CTIDAJQOSXMPRS-IZLXSDGUSA-N 499.655 5.309 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)CC1 1835815929 JPCWTAAXXXJZRP-HDYLNDSGSA-N 471.730 5.157 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccc3cc(Br)ccc3c1)C2 1841319407 SUFDSINNTFBNLG-UHFFFAOYSA-N 467.407 5.188 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)c1 1845375013 HREMECXTXJVAOC-HNNXBMFYSA-N 475.898 5.117 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 10167872 DEKIXCGSNPJBPP-UHFFFAOYSA-O 453.578 6.218 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(C)cc2C)cc1 10168491 AYHOPLQSHSACEY-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158546 YITHRGFQOXVIED-UHFFFAOYSA-O 475.377 5.802 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(NCc3ccc(F)cc3)s2)ccc1Cl 11583729 ZXZOCKZHMTYANA-UHFFFAOYSA-N 476.002 5.290 30 20 JKED CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SC[C@@H](C#N)CCC#N)nnc23)cc1 15239586 BONSBERNCWJYEA-ZWKOTPCHSA-N 456.575 5.083 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nnc1-c1ccc(F)cc1 16658039 BWZMKDNASTUPKH-UHFFFAOYSA-N 492.624 5.796 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 16732871 QWIGBQSIKFPKAV-CYBMUJFWSA-N 454.577 5.067 30 20 JKED C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)Nc1ccc(C#N)c(Cl)c1 16765955 TUPVUNCWMFOFLB-ZCFIWIBFSA-N 467.523 5.404 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 22728470 IFVYJEMTKOIDOX-UHFFFAOYSA-O 473.643 5.994 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 22732211 BOJJQRNAXSRLMJ-UHFFFAOYSA-O 452.531 5.252 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)Nc1cccc(C#N)c1 23600685 IUMBPMYKQUQMAL-OAHLLOKOSA-N 463.950 5.231 30 20 JKED CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 26235796 TXEQXTGCGRNLPT-UHFFFAOYSA-N 488.592 5.038 30 20 JKED N#C[C@H](C(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1)c1nc(-c2ccccc2)cs1 71869016 MQRNFIDGNTYIHG-QGZVFWFLSA-N 481.990 5.129 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 108374914 QMKCCGOBRXKSTB-UHFFFAOYSA-N 495.373 5.754 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 195641255 AQGHGDZPYCMCHK-UHFFFAOYSA-N 450.510 5.671 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC)[C@@H](C)C(C)C)ccc1Cl 195716348 UZOMMHFQRKQCHA-KRWDZBQOSA-N 483.461 5.881 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 255335015 IGGLLVALZQNOBJ-OAQYLSRUSA-N 469.513 5.281 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c(C)c1 255422729 VMIBLUINIKHZNU-NRFANRHFSA-N 469.513 5.335 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cc4ccccc4cc3NC(=O)C3CC3)nc2C)n[nH]c1=S 303366263 RFAROZLWYWJGGE-UHFFFAOYSA-N 490.614 5.313 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 481073210 IBYRXOCLIWUDJR-XMMPIXPASA-N 459.521 5.118 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)cc2F)c1 481633145 YACPUXGERPAARL-UHFFFAOYSA-N 481.474 5.630 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3C(F)(F)F)c2)cc1 482986637 CRTYJCRXQDTIEB-HSZRJFAPSA-N 495.457 5.739 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 490627412 CLWYLFISKMEBMW-UHFFFAOYSA-N 458.543 5.203 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCOc3ccc(Cl)cc3Cl)s2)cc1 491502522 PLYPNBSNBJWGJX-UHFFFAOYSA-N 465.387 5.416 30 20 JKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)CC1 491551362 QEWMCKIUYVDGST-QHCPKHFHSA-N 464.585 5.252 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1C 498144046 LCRGSYATDCUENT-UHFFFAOYSA-N 476.024 5.128 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)cc1C 501628729 NVUMTMBEKMYMER-LJQANCHMSA-N 469.614 6.004 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c(C(F)(F)F)c1 501630229 WVSFQFOMHZTPID-OAHLLOKOSA-N 463.529 5.217 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CC2)c1 502679079 KNYTYTNIYRDLSY-UHFFFAOYSA-N 482.544 5.085 30 20 JKED N#Cc1cn(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)c2ccc(Br)cc2c1=O 502855145 JPKIJHMGZOKPGE-XMMPIXPASA-N 478.390 5.073 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 509769632 FLIQTPKXZCIODH-UHFFFAOYSA-N 456.546 5.044 30 20 JKED COc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 511447558 YHIJHWANDGGFQX-AWEZNQCLSA-N 466.900 5.494 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)cc1 512530367 HWNSTLTVDOTMOX-UHFFFAOYSA-N 483.318 5.391 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cn2c1 513175311 GHBVUZYKOPEVFU-IBGZPJMESA-N 450.420 5.126 30 20 JKED CCCOc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 514134558 NVLGVRFLKGQNKG-FQEVSTJZSA-N 475.564 5.968 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 514935669 ACVVBAKUADFHPM-FQEVSTJZSA-N 456.974 5.379 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)C[C@@H]2CCCC[C@@H]21 515062312 ZFERZBWUOUQCBD-VJBMBRPKSA-N 486.597 5.102 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)c2)c1 515675107 VZVFYFYFVBOGQT-UHFFFAOYSA-N 489.944 5.245 30 20 JKED COc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 515736093 PTTOGTHNBWYICZ-OAHLLOKOSA-N 451.910 5.460 30 20 JKED Cc1ccc(C)c(OCCCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 516342011 SMSLMLDBHNONMK-UHFFFAOYSA-N 452.605 5.507 30 20 JKED O=C(NCCCc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 518872929 IHRVKKKGWOIYGO-UHFFFAOYSA-N 486.334 5.431 30 20 JKED N#Cc1cc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)ccc1OCC(F)(F)F 524025848 JZHNUYZKGODCME-UHFFFAOYSA-N 472.442 5.310 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3n[nH]c(C4CC4)c3Br)cc2Cl)c1 524249866 KEFTXSJQMHKMSW-UHFFFAOYSA-N 471.742 5.406 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524439175 KPQSNBJARLGGMU-UHFFFAOYSA-N 474.948 5.343 30 20 JKED Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1NC(=O)c1ccccc1 524459410 CDXLOWWKLYKECX-UHFFFAOYSA-N 479.511 6.089 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)s2)cc1 589196003 CFUDMBKJJRZTKT-IRXDYDNUSA-N 460.506 5.463 30 20 JKED CC(C)c1c(C(=O)Nc2cc(C(F)(F)F)ccc2F)cnn1-c1ccc(C(F)(F)F)cn1 590233720 HYTNVSVAZVZWLY-UHFFFAOYSA-N 460.353 5.820 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 603519089 YAUPBTMBMWRJBZ-UHFFFAOYSA-N 495.583 5.374 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1Cl 603829020 OWFSSJVVVDYQCY-SIKLNZKXSA-N 470.960 6.548 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)c2)c1 603907433 OOIFLSPNIISRGK-UHFFFAOYSA-N 487.610 5.523 30 20 JKED COc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 603998252 SEDRATFUSQUTBZ-AWEZNQCLSA-N 467.884 5.018 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604100984 UVDUQJUBEINWPS-UHFFFAOYSA-N 488.345 5.563 30 20 JKED Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 608881637 CEBVHDYTXZXICG-UHFFFAOYSA-N 468.582 5.051 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 608882646 ZHHBDXWMZLDWFG-UHFFFAOYSA-N 484.387 5.778 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)c(Cl)c3)cc2)c1N 608925858 DSKUTOYSZHZJNU-JOCHJYFZSA-N 462.340 5.152 30 20 JKED CC[C@@H](c1ccccc1)c1nnc(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)o1 609019510 XGYUDQXFUKOSSZ-NRFANRHFSA-N 489.601 5.664 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 609020481 MZBGFIIIPWDCSM-UHFFFAOYSA-N 494.448 5.983 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccc(OCc2ccccn2)c1 609057962 AXYVDSZPSHGUDW-LJQANCHMSA-N 453.498 5.195 30 20 JKED CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062663 XARLHMAUZHXWFA-OAQYLSRUSA-N 453.970 5.156 30 20 JKED CCOc1ccc(CN2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 609078463 SAZMRGPIMFJVMQ-UHFFFAOYSA-N 484.600 5.194 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 609080812 VCFFKUPUVVGKQO-QHCPKHFHSA-N 491.975 6.177 30 20 JKED N#C[C@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OCc2ccccc2)cc1 609173693 WKQHFNQETVYHAN-DEOSSOPVSA-N 486.959 5.673 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 609206812 FZEYSXUVGCIVPE-AREMUKBSSA-N 468.557 5.014 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cc3ccccc3n2CC#N)ccc1Cl 609215747 VKXQTDASMYCMCZ-UHFFFAOYSA-N 492.988 5.286 30 20 JKED C[C@H](SCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OC(F)(F)F)cc1 609371776 XCPYPHCBKHIQAV-CABCVRRESA-N 454.539 6.270 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1OC(F)F 609436261 JYBKPPGXRVOXRR-NRFANRHFSA-N 465.456 5.158 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)cc1 615001703 CMYFWGOHEBZDOB-UHFFFAOYSA-N 492.373 5.178 30 20 JKED Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)CC2 622485824 ZMFULLGWXHXETF-XHDPSFHLSA-N 485.350 5.347 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nn(-c2ccc(F)cc2)c2c1CCC2 642157016 DSLDGKSBQMSACB-IMRBUKKESA-N 463.397 5.139 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cn1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642157128 IOHJSNQEDTUHIV-UWVGGRQHSA-N 454.358 5.218 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 642393329 ZEAPQPLSIWMOHL-MRXNPFEDSA-N 460.353 5.508 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccccc2-c2ccccc2)cc1 725764187 TWJNCFHKCBIDKH-UHFFFAOYSA-O 496.656 6.521 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CC[C@H](C)OC 726393391 ODCRAZUSJOYLAW-CVDCTZTESA-N 467.635 5.251 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 726394457 VTYKFOKHFBTPPG-KUHUBIRLSA-N 497.514 5.230 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2F)cc1Cl 726407584 SYQUZRDHNRQLCX-QFIPXVFZSA-N 492.963 5.511 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(C)C)cc2)s1 726411126 KVUXUHTZETUUMV-IIBYNOLFSA-N 471.648 5.205 30 20 JKED Cc1c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)sc2ccccc12 726571541 WZMRPERBQITKBH-UHFFFAOYSA-O 479.006 6.051 30 20 JKED N#CCOc1cccc(/C=C2/CC(c3ccccc3)C/C(=C\c3cccc(OCC#N)c3)C2=O)c1 727744199 CWMHPROAXZHURY-WVZLMVLXSA-N 460.533 6.105 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccccc1Cc1ccccc1 728109921 GCZGYMFPJUWPLC-FQEVSTJZSA-N 480.520 5.505 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 728777489 KZEXUDCZCZNHFW-IBGZPJMESA-N 458.946 5.133 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cocn3)C2=O)c1 730726300 DDZSWKBELIXHKQ-QHCPKHFHSA-N 476.602 5.575 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/[C@@H](C)c1cccs1 730730016 RYLSDIBIGVLVLR-KXSAEDCDSA-N 493.658 5.325 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)cc1F 731312682 QPIUWAVVDCRYTA-FQEVSTJZSA-N 499.589 5.070 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2oc(CC(C)C)nc2C#N)cs1 745612841 BBHSPQAGCMGDDI-UHFFFAOYSA-N 476.484 5.351 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1c(C)cc(C)cc1Cl 745989250 NLRWQOXWSYFJDO-LJQANCHMSA-N 457.983 5.112 30 20 JKED CCOc1cc(/C=C/C(=O)c2oc3ccccc3c2C)ccc1OCCn1c([N+](=O)[O-])cnc1C 747140979 UVRCDWNKMLFXLA-PKNBQFBNSA-N 475.501 5.528 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O)Nc1ccc2ccccc2c1 747602204 YPYVPPUODHERFX-JOCHJYFZSA-N 486.622 5.499 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CC(F)(F)F)C2=O)cc1 799214707 NWDBSSOWIYKYLW-MRXNPFEDSA-N 473.879 5.310 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 837302303 ZRYQFZDPIUOKSN-CJAUYULYSA-N 498.583 6.095 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3ccccn3)C2=O)cc1 837302416 WQTIVHQQYQBGCV-HTAPYJJXSA-N 462.550 5.251 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H](C)c3ccccn3)C2=O)cc1 837302422 WQTIVHQQYQBGCV-VGSWGCGISA-N 462.550 5.251 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1OC 838504650 TWMRJWDTZMZSNI-HXUWFJFHSA-N 493.551 5.865 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)OC[C@@H]2CC)ccc1Cl 857145522 FIUMYWCHHUIQKQ-AEFFLSMTSA-N 497.444 5.014 30 20 JKED COc1cc(C(=O)N(O)Cc2ccc(F)cc2)ccc1OCc1ccc(Br)s1 901376673 YEDWOKZMDDQUEK-UHFFFAOYSA-N 466.328 5.269 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 912832211 ZISCPOSVZCBCQO-UHFFFAOYSA-N 493.036 5.105 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)Cc3cccs3)C2=O)cc1 914694383 IWSAVWDRGNPOPU-GAJHUEQPSA-N 491.638 5.542 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 914819465 RROUKPHZISUPQS-UHFFFAOYSA-N 485.491 5.036 30 20 JKED Cc1nnc(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1Cc1ccccc1 915087109 QHSNUPSDESAHQH-DEOSSOPVSA-N 453.571 5.021 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc2cc(C(F)(F)F)ccc2s1 915103688 BSNFTWXINMNFCV-CQSZACIVSA-N 475.879 6.433 30 20 JKED N#C[C@@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2cc(C(F)(F)F)ccc2s1 915104113 KWSYLKHBQGSKCA-GTNSWQLSSA-N 481.908 5.648 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(CC(=O)O)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 915989929 GMSPGSXKQAROMA-WMZJFQQLSA-N 497.906 5.028 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)c(C)c1 916215145 DQKQLKSNOVYGSU-LJQANCHMSA-N 472.408 5.212 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1csc(-c2ccc(Cl)cc2)n1)CCCCC3 916272617 FGICGHKKDODJPI-UHFFFAOYSA-N 455.008 5.694 30 20 JKED N#CCOc1cccc(NC(=O)c2cccnc2SCc2ccc(Br)cc2)c1 916410101 PSLQVKDSPJAHJW-UHFFFAOYSA-N 454.349 5.291 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1 916414556 DNYBMIRZUUBWKW-UHFFFAOYSA-N 498.988 5.481 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 916926321 XTFHYIXQOCECPY-KRWDZBQOSA-N 488.594 5.197 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916931683 MKGBJNRIKXGRIR-KRWDZBQOSA-N 474.369 5.406 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(=O)n(Cc5ccco5)c(S)nc4c3)n2)cc1 916974942 SEINTJVNJNSKJQ-FQEVSTJZSA-N 498.589 5.249 30 20 JKED N#C[C@H](C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995974 JBBHPCBXQFXYDM-CQSZACIVSA-N 479.772 5.960 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)o1 917328797 XJWFMLUZYOUCSG-UHFFFAOYSA-N 469.375 5.156 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(C)C)cc1 917665729 HMCZWFVSWBLUGP-QHCPKHFHSA-N 467.635 5.004 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)s3)C2=O)cc1 917673793 HZGHAEDNVYVMLJ-QFIPXVFZSA-N 477.611 5.420 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc2ccccc2c1 917700504 INIFUGMRWZUGER-HSZRJFAPSA-N 457.555 5.189 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)cc2OCC)c1 917745051 LUGRWMJNTQGKDX-UHFFFAOYSA-N 485.005 5.681 30 20 JKED C[C@@H](NC(=O)C1CCCCC1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 918490709 VHDDJUBOIBJMFF-MLGOLLRUSA-N 450.391 5.378 30 20 JKED COc1ccccc1OCc1ccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 919342910 JOSQNEYHJFTUNH-UHFFFAOYSA-N 491.544 5.068 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1csc(-c2cc(Br)cs2)n1 920104769 ZGAYZFMBFHBFPJ-ZDUSSCGKSA-N 470.373 5.629 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 920106214 VFJQZNFUYHVMNQ-GOSISDBHSA-N 467.472 5.753 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccc(C)s2)c1 920173507 PNYHWVXBKCXQQB-ZHRRBRCNSA-N 497.617 5.926 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc(C(F)(F)F)c2)cs1 920358612 XADKBUUUSQMTBH-UHFFFAOYSA-N 472.414 6.311 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(C(C)C)c1 920360236 VERAYZSRDSLIGH-XMMPIXPASA-N 490.629 5.253 30 20 JKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(Cl)c1 920891684 BZPLKTDGGHFUKC-LJQANCHMSA-N 478.980 5.535 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOCC(F)(F)F)c1 932756311 LHAFSISUCPQLGK-FQEVSTJZSA-N 493.551 5.151 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)COc4cccc(Cl)c4)cc3)CCC2)ccc1F 1785991676 FSXOGYOHCQQEJO-UHFFFAOYSA-N 491.950 5.106 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786573450 BPDJJFGAEHBKNR-DEOSSOPVSA-N 495.664 5.679 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3C(F)(F)F)cc2)CCC1 1786605512 XHPSHNDQHHOUKW-UHFFFAOYSA-N 492.513 5.504 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4Cc5ccccc5CN4C)cc3)CCC2)c1 1786682514 JUOVJANDPSDGLZ-PIKZIKFNSA-N 492.623 5.118 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3csc(C)n3)cc2)CCC1)NC(=O)OC(C)(C)C 1787528664 DOJNVYAGEKQJDA-FQEVSTJZSA-N 498.649 5.059 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1 1787627840 GSAKGRXTIMDEMS-PIIWDFAUSA-N 481.637 5.170 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312303 UOLMHSVVCUCSRI-UHFFFAOYSA-N 498.004 5.207 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc(F)ccc3F)CCC2)cc1 1788650093 XPSWTNZIOJCYNI-ZHACJKMWSA-N 466.509 5.213 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cnc4ccccn34)cc2)CCC1)c1ccccc1 1788994682 LQYUWTXGHFJLTK-RUZDIDTESA-N 476.580 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4cnn5C)cc3)CCC2)c1 1789088278 MJAYKHDJVXXMBQ-LJQANCHMSA-N 477.568 5.262 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccco5)no4)CCC3)cc2)c1Cl 1790081763 KXSOFMFXJIWTHP-UHFFFAOYSA-N 486.915 5.521 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cccc1C(F)(F)F 1790148489 SFJWNOCKOIYFTB-UHFFFAOYSA-N 466.463 5.275 30 20 JKED COc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)nc3C(F)(F)F)CCC2)cc1 1790229266 XNDUPJVCWHSGLH-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC=C(C)C)cc2)CCC1 1790453881 OZDUTRFTLDOFHC-PIIWDFAUSA-N 481.637 5.336 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3cc4cccnc4cc3F)cc2)CCC1 1790477402 SYCPLJPXUJTMKN-UHFFFAOYSA-N 467.491 5.262 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)c3ccc(Cl)cc3)CCC2)cc1 1790509982 UDIGJHHYZFLQAV-GOSISDBHSA-N 468.981 5.087 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1 1790566021 LXRFRNQHJWSBRA-OAHLLOKOSA-N 462.377 5.542 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cccnc45)CCC3)cc2)cc1 1790707976 ZXKIHNWGRHTVPU-UHFFFAOYSA-N 460.537 5.362 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](C#CC)c3ccc(O)cc3)cc2)CCC1 1791644955 UKPCPMFIWVARNY-QHCPKHFHSA-N 474.601 5.006 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791726280 MGWJTZAUTSBLGP-MHZLTWQESA-N 481.637 5.104 30 20 JKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)o1 1791946195 BMRHOBIGYOAATN-UHFFFAOYSA-N 450.655 5.316 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205933 ASVYBXYCBNCYGJ-HSZRJFAPSA-N 495.595 5.433 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1793051982 OEZIGEXUSMORQI-KGSLCBSSSA-N 480.052 5.648 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3ccccc23)cc(C(F)(F)F)c1 1797301190 ZZGMDFDLXQZQJE-KOUNCHBCSA-N 477.486 5.296 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)[C@H]2c2cccnc2)C1 1802415370 GORSHRIIBJATSV-KCWPFWIISA-N 467.569 5.160 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@@H]1c1cccnc1 1802493832 YMFOYKRNFNXARK-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1802502531 IKILDQFYOOIRRV-DCEDVJGZSA-N 458.606 5.021 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1802738128 HWRXWBGLYNBEKD-OFNKIYASSA-N 487.522 5.068 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)CC3)C2)cc1 1804759335 XDYDHZWTJCSGDS-CLJLJLNGSA-N 490.047 5.179 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C1 1805458329 IGEADSOJQRRUHQ-UHFFFAOYSA-N 481.618 5.423 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)C1 1806678809 PQDXVBNFQUXURQ-UHFFFAOYSA-N 492.966 5.262 30 20 JKED Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)C2)s1 1806985305 IVMNOBYITATRGM-HXUWFJFHSA-N 463.647 5.161 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809488858 HNJVNEUDBQXZDU-KSCZAHEDSA-N 469.585 5.315 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1810175517 ZGCMDFYJOGGCFO-DNRQZRRGSA-N 463.647 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)[C@H]1c1cccnc1 1810503225 OXJPCFAAHZCCSU-CPJSRVTESA-N 492.570 5.220 30 20 JKED Cc1ccoc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811250657 AVCRWFQQRYBBHA-NSOVKSMOSA-N 489.575 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811434108 AXNPDYKSVIXSOT-GBXCKJPGSA-N 480.008 5.793 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3c(Cl)cccc3Cl)[C@H]2c2cccnc2)c1 1811714519 DIZOEMUXKZPMCA-YADARESESA-N 493.394 5.202 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1 1811796821 RCVGVQKCKBRLMJ-AOYPEHQESA-N 460.622 5.269 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c(C)cc2OC)[C@H]1c1cccnc1 1812003041 HRKYCXZYMGOJFZ-WIOPSUGQSA-N 463.622 5.019 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2)[C@@H]1c1cccnc1 1812592022 HUUIQMAARNNEND-HZUJVAHNSA-N 490.829 5.029 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1812828095 NXIFIPCTHQXOFV-IAPPQJPRSA-N 459.634 5.222 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1812957793 GBULTHXIVPFNLC-MFMCTBQISA-N 494.639 5.248 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1813229583 UTDBYIRLENWSTP-BKMJKUGQSA-N 459.615 5.118 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)[nH]n1 1814443158 ONPZMLPEOGFFKS-AWDZXFJFSA-N 464.635 5.282 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[nH]n1 1814567579 KIWPONJJZOIEAA-FQEVSTJZSA-N 492.967 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(OC)cc2)n[nH]1 1817773329 SDKPHMRKGSLHFG-VWLOTQADSA-N 499.615 5.555 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818117029 VCOITGVTSJVZCJ-IWGBCORSSA-N 476.602 5.340 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818591227 TVVQJMPFPPZWCK-JOCHJYFZSA-N 465.985 5.619 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818868078 MUCNRYNIFRJDMR-SFYKDHMMSA-N 491.954 5.183 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1819304563 FHRRGLURLUKYCY-NVQXNPDNSA-N 483.616 5.854 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1819478266 VGZONBORGQPHNJ-KXQYEYADSA-N 495.992 5.296 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1819479922 YARPIVJSOUXDPG-VKMIRQPFSA-N 497.555 5.220 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3ncsc13)CC2 1819758778 KLPYZBLFYQIBSH-MRXNPFEDSA-N 496.734 5.030 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)n[nH]2)CC1 1821006935 NTALDFJBBQVLQK-ISKFKSNPSA-N 489.526 5.217 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821181284 ILTQLCNZZMFNML-NRFANRHFSA-N 461.953 5.057 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3c(Cl)cccc23)n[nH]1 1821395148 JEDZTEHQVBULBL-KXBFYZLASA-N 466.973 5.014 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[nH]n1 1821923383 WZIWUZCHNHLTNA-MHECFPHRSA-N 482.588 5.471 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823293096 YUHWSXQLNLZMLP-GGAORHGYSA-N 475.593 5.143 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)C1 1823704482 IFPLOJBMUNRHHB-OAQYLSRUSA-N 452.492 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1824143603 ODRCYKSJGLJSEG-AREMUKBSSA-N 494.676 5.486 30 20 JKED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)CC2 1825129996 GLCLGNGIKNYAKR-DOTOQJQBSA-N 474.586 5.322 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)C[C@@H](C)c4ccccc4)sc3C2)c1 1825369367 OGXZMEIQEHSXLG-HMFYCAOWSA-N 472.614 5.190 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c[nH]1 1825437976 KMHMNPJWWIAUSM-LCCNJJIFSA-N 481.662 5.046 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1826690969 HAFXLQJDHRPBAS-HSZRJFAPSA-N 482.422 5.139 30 20 JKED Cc1ccoc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1827742311 QFRUDRKOJKGWOJ-NRFANRHFSA-N 473.495 5.026 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1828218676 NZNGACNYTGMVLP-BCHFMIIMSA-N 499.611 5.621 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828294071 PJVBYQYBMQXOLO-OFVILXPXSA-N 468.041 5.823 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2c1 1828582296 MSIVQPCKVWAOOC-NGOKVRLYSA-N 498.627 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(OCC(C)C)c2)CC1 1828825472 WXSSNWNEOJPXST-DQEYMECFSA-N 467.654 5.118 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)CC1 1829181354 XFAYTWKACMECRI-FQEVSTJZSA-N 464.437 5.390 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1829601306 NLRVYPJBUSPYLN-NDEPHWFRSA-N 494.639 5.334 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830409140 WXRCABXIBGUHRC-QFIPXVFZSA-N 498.655 5.500 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1830440528 DCYRBYAPWYGRGZ-JOCHJYFZSA-N 496.545 5.194 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1830716821 CYUQOVVYFZNINV-HSZRJFAPSA-N 471.935 5.037 30 20 JKED CC[C@H](C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755088 OOOZSNHFMJXACR-JTSKRJEESA-N 463.544 5.247 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830771634 FRKBXAZHCCOQBJ-JYFHCDHNSA-N 470.629 5.615 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830879158 YOXTWDOTJIKOBJ-AZGAKELHSA-N 480.052 5.890 30 20 JKED Cc1cccc2c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)n[nH]c12 1831006216 XSYWPZPBAKVPFM-NLFFAJNJSA-N 483.616 5.046 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831208903 PUXSMUMWZYHHRZ-LMSSTIIKSA-N 473.661 5.056 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832711532 ZWIDEAVZUQIRMA-KKSFZXQISA-N 454.508 5.290 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)CCC1 1832781287 VLSAVSPWRFEQKG-HYGBKTPJSA-N 473.539 5.032 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1832827582 OVWSKZLHFWHOLU-QFIPXVFZSA-N 452.982 5.247 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1)c1ccccc1 1832890563 ARYPWDJJWKLETK-MBSDFSHPSA-N 498.549 5.009 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)c2ccccc12 1832996258 PQQTVUKNWRRGEG-SANMLTNESA-N 459.634 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1835464279 XCPUDLDAUZATOL-JWQCQUIFSA-N 486.100 5.008 30 20 JKED N#Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)c1 9847323 KTDKBNSLQAEZFI-UHFFFAOYSA-N 484.368 5.496 30 20 JKED C=CCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10123579 ZGQYFJOPOVVATP-FQEVSTJZSA-N 483.565 5.216 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc3c(c2)CCCC3)c1C 10168798 JXXPICNHEDHHML-UHFFFAOYSA-O 490.649 5.252 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 10352924 LZPFZLFXIUHLTP-VWLOTQADSA-N 452.583 5.524 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(F)cc2)cc1 10829237 VMXQVJBADLILAI-UHFFFAOYSA-O 452.619 6.023 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 11164656 ZLAUWADDRXESBW-UHFFFAOYSA-O 481.641 6.241 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccccc1 11469611 ZWNAZFUOSHIRPY-QGZVFWFLSA-N 453.637 5.434 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15248043 VZSWLBPKUOZZKC-UHFFFAOYSA-O 472.461 6.938 30 20 JKED CCOc1ccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2ccccc2)cc1 20067856 QTQBLNFPSQVNTH-UHFFFAOYSA-N 469.570 5.130 30 20 JKED COc1cc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)ccc1OCC#N 20837265 XXZHLMZDUVTOMC-UHFFFAOYSA-N 496.350 5.565 30 20 JKED C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)N(CCC#N)c1ccccc1 22101356 TZBBNZYCDGICIH-QGZVFWFLSA-N 492.988 5.119 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2cccc3ccccc23)cc1 22693316 LWRZGQBLBXWZIZ-UHFFFAOYSA-O 469.630 6.529 30 20 JKED O=C(/C(=C(\S)NCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)s1 22730671 ZSVCCDLLJDSXNX-UHFFFAOYSA-O 478.062 6.008 30 20 JKED O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 23284648 PUGNOWIMPXABGC-UHFFFAOYSA-N 498.555 5.275 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2cccc(C(F)(F)F)c2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 23603089 IFBRZQLWCHJMHD-UHFFFAOYSA-O 461.533 5.055 30 20 JKED Cc1ccc(/C=C/c2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)n[nH]2)o1 25079318 HYSJCTZYZKWPIM-ZHACJKMWSA-N 490.564 5.085 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 26338117 KTVCUVACHYKZOE-OAHLLOKOSA-N 471.380 5.235 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@H](C)Oc1ccccc1C#N 30252466 XFIWFXBNBPMDMK-SFHVURJKSA-N 450.560 5.023 30 20 JKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 195703307 VEAOWXYVJGGNPV-SFHVURJKSA-N 457.530 5.163 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 263590616 CCKTYTPEQBNMIC-RUZDIDTESA-N 480.593 5.704 30 20 JKED aggregator N#Cc1ccccc1N1CCCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 302956787 LHWUGDZVPSWETN-UHFFFAOYSA-N 468.582 5.344 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(NC(=O)C4CCC4)c3)cc2F)c1 481622594 IJEQREBDJYLIOW-UHFFFAOYSA-N 472.520 5.337 30 20 JKED CN(Cc1cc(Br)cs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481680754 BNFPUTNKHKYQDA-UHFFFAOYSA-N 474.355 5.764 30 20 JKED N#CC1CCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Br)cc3)cs2)CC1 488739739 MPEXUHKQGZHNBN-UHFFFAOYSA-N 495.446 5.341 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccccc2OCC(F)(F)F)c1 490789242 AJRKQTSZFBNIMD-UHFFFAOYSA-N 499.514 5.160 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4cc(Br)ccc4[nH]3)s2)cc1 491505056 YYMDSZLDQFGVNA-UHFFFAOYSA-N 470.377 5.198 30 20 JKED C=CCc1cc(CNC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc(OC)c1OC 497826538 TVOZNNJJGLVLRH-UHFFFAOYSA-N 459.546 5.031 30 20 JKED Cc1noc(CSc2ccc(C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)cc2)n1 501162665 PWHZEUWWUIHWOT-UHFFFAOYSA-N 472.545 5.837 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CSc3ccc(C(F)(F)F)cn3)c2)cc1 501472979 GGNWCWFCMWXOIO-UHFFFAOYSA-N 457.477 5.476 30 20 JKED O=C(NCc1ccc(F)c(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503147850 GVCLHUDNYMQELD-UHFFFAOYSA-N 484.734 5.167 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(CN2CCCCC2=O)c1 506483167 BDEFKDYKABZYMT-UHFFFAOYSA-N 474.374 5.321 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 506513829 AWYFYGLERBVCCA-UHFFFAOYSA-N 464.569 5.300 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 508207081 RPNWFNHGRCVNHC-AWEZNQCLSA-N 464.497 5.944 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1 508265329 CCZTUJXHSQDGBH-UHFFFAOYSA-N 484.556 5.810 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(Br)s2)cc1 508291896 JHMOHRVCCQLNBH-UHFFFAOYSA-N 472.364 5.847 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 508983392 VDEHGMJIJUNJIA-UHFFFAOYSA-N 489.635 5.872 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 510010265 PJLOQWZQHZUGEB-SFHVURJKSA-N 487.774 6.062 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCSc3ccc(Cl)cc3)s2)cc1 510238184 GMAFSCRLJLRVHJ-UHFFFAOYSA-N 462.025 5.269 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C#N)ccc2OCC)nnc1-c1ccc(Cl)cc1Cl 510255498 LUKJJAJWGLCJIB-UHFFFAOYSA-N 488.400 5.439 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccn2)cc1 511342715 RGYLIAHBQAMFCC-UHFFFAOYSA-N 494.551 5.849 30 20 JKED C=CCOc1ccccc1CN(C(=O)CCc1nc(-c2cccs2)no1)c1ccc2c(c1)OCO2 512279043 RNLBMHWXERYYBI-UHFFFAOYSA-N 489.553 5.258 30 20 JKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1ccc(C(F)(F)F)cn1 513191008 BHUXDJXVCBTSIC-GOSISDBHSA-N 473.248 5.584 30 20 JKED C=CCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515438068 NOOOZGHLDJDNGC-UHFFFAOYSA-N 465.922 5.390 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 515878828 AGPGHKVKCAZUTP-ILBGXUMGSA-N 457.961 5.510 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1c(Br)cccc1Br 517449406 RRSZOCBJPRDMSN-GFCCVEGCSA-N 484.213 5.623 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 517634863 GVYQCCSASBEPBC-UHFFFAOYSA-N 466.632 5.162 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1SC[C@H](C)C#N 518683677 ZSAKXONSMVDLIB-MRXNPFEDSA-N 469.998 6.086 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 520194953 NDTCIYVIFXIJOA-GOSISDBHSA-N 489.967 5.071 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521209089 QIDNVICLOPWIKO-SFHVURJKSA-N 467.491 6.575 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 521326276 LDAJGGZLPJZOQD-SFHVURJKSA-N 486.626 5.454 30 20 JKED Cc1cccc(-n2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)nn2)c1 523230665 LGVTZNMRJCCGKB-MRXNPFEDSA-N 454.342 5.496 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccccc1OC(F)F 524427443 STMQJLKLSRGMMK-JOCHJYFZSA-N 493.510 5.253 30 20 JKED COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)c1 524442691 YNWWIYCWRKPJBT-HSZRJFAPSA-N 470.573 5.102 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)c2)c1 524651704 XLUCOBQEKPGREX-UHFFFAOYSA-N 456.889 5.300 30 20 JKED C=CCn1c(SC[C@@H](O)COc2ccc(C(C)=O)cc2)nc2scc(-c3ccccc3)c2c1=O 588379821 NHKGGIJUOQGUTP-FQEVSTJZSA-N 492.622 5.046 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 603527407 MWJIXASWDJYPKF-UHFFFAOYSA-N 464.919 5.279 30 20 JKED CC(C)CN(C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(C#N)cc1 603529823 KNKJNDUENQPVJL-UHFFFAOYSA-N 469.629 5.694 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 603638993 JZYDDKLLDPQBNG-UHFFFAOYSA-N 479.458 5.757 30 20 JKED Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cnn1-c1ccc(Br)cc1 603897982 SZOFXVKPACVQJJ-UHFFFAOYSA-N 479.256 5.008 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1cccs1)c1ccc(Br)cc1 603975745 OWHSMEBKYZQHTN-UHFFFAOYSA-N 494.418 5.208 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 608865199 GVVRZZPVHHHYIL-OAQYLSRUSA-N 459.468 5.080 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1nnc2ccccn12)C(C)C 609079596 HBWYBABLKPDINS-XMMPIXPASA-N 454.534 5.007 30 20 JKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609123738 QHXJVBJXCPTIQK-HOFKKMOUSA-N 473.548 5.908 30 20 JKED Cc1nn(Cc2ccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)c(C)c1[N+](=O)[O-] 609171767 BGVUOZSQTOSGLY-SANMLTNESA-N 495.539 5.030 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 609370668 LZKAXFYWMBULHT-MRXNPFEDSA-N 474.611 5.212 30 20 JKED COc1ccc(Cn2ncc3cc(C(=O)Nc4ccccc4SC[C@H](C)C#N)cnc32)c(OC)c1 609376565 CPDRUWYDPJLKSM-QGZVFWFLSA-N 487.585 5.001 30 20 JKED COc1ccc(-c2csc(NC(=O)[C@@H](C)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1 609387279 WFKCQPNEKZLTEH-JKSUJKDBSA-N 452.605 5.510 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(F)cc2)cc1 609438701 RMUCNOCLFXSZIS-MZNJEOGPSA-N 477.561 5.073 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609438755 SCGVBKOAGDYKGJ-QGZVFWFLSA-N 482.565 5.598 30 20 JKED N#C[C@@H](C(=O)c1nc(N2CCCC2)ncc1Cl)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 613394378 ZTFZOUKPCPXNEP-IEEVTGIFSA-N 468.026 5.145 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)S/C2=N/CCc2ccccn2)cc1 726110545 ILBKOXGTGYTFPW-AGZANAATSA-N 486.641 5.078 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](c2ccccc2)C(C)C)cn1 726113243 RBDVLDGQZBRQFD-LADGPHEKSA-N 493.608 5.400 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccc(Cl)c2)cn1 726113785 SZTMWJGIQHQYIF-NRFANRHFSA-N 482.009 5.025 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1C 726403266 ZPMRKLBPKUCPCG-NFBKMPQASA-N 467.635 5.306 30 20 JKED Cc1ccc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Cl)c(Cl)c2)c1 726572313 VUOSMNPQIFXTLO-UHFFFAOYSA-O 459.378 5.096 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)c1 726887354 ZZPIRVMGKZFSGI-HSZRJFAPSA-N 481.618 5.224 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(C)c1NC(=O)c1ccncc1 728028568 MNLXKOQTMPFOLE-UHFFFAOYSA-N 476.536 5.654 30 20 JKED Cc1cc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2cc1C 728471781 FWUXZBAEUUWJOS-UHFFFAOYSA-N 488.591 5.881 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c(C)c1 728777728 NGSUFPXNNZFGCY-OAQYLSRUSA-N 452.555 5.097 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1 728779000 WMAFMJZKICMNBW-NRFANRHFSA-N 470.545 5.236 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(Cl)nc2)cc1 729669145 DDWVHJULBVTAMA-UHFFFAOYSA-O 487.001 5.357 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccc(Br)s1 730583597 JHTJMOGTHLJIAX-UHFFFAOYSA-N 464.197 5.159 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1cccc2ccccc12 730686088 CWRXTOSYGOFQIV-QGZVFWFLSA-N 467.472 5.748 30 20 JKED C#CCOc1cccc([C@@H](C)OC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)c1 730700131 OULNZBIBIQSFQA-MRXNPFEDSA-N 482.627 5.215 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 730945313 QBCZMLZKBUHOOL-NVJAIDLZSA-N 482.606 5.433 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 730994648 KSNOLLLGGITWSR-UHFFFAOYSA-N 474.258 5.634 30 20 JKED Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731074261 NCVALORGCRSRRE-OAHLLOKOSA-N 453.589 5.203 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)c(F)c2)c1 731308680 PLTJQRLOVGWZHK-HSZRJFAPSA-N 493.560 5.009 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3cccc(Cl)c3Cl)n2)cc1 743463084 TYWMDIPYGAYSAX-MRXNPFEDSA-N 456.354 6.024 30 20 JKED Cc1ccc(F)c(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cc(O)ccc2C)c1 744116056 POAJXZHOIFNGGF-UHFFFAOYSA-O 494.612 5.555 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccncc2)n(-c2ccc(C)cc2)c1=S 745155000 HSMAETJHTHUKHZ-UHFFFAOYSA-N 472.574 5.328 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 745986941 UMVTXUHMCYJMIR-UHFFFAOYSA-N 477.546 5.628 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(CN2CCCCC2)n(Cc2ccccc2)c1=S 746033412 RCTNXAKITFENGU-UHFFFAOYSA-N 474.678 5.188 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3cccc(Br)c3)o2)ccc1S(C)(=O)=O 747061016 ANJNZKBSOXXRCS-CLFYSBASSA-N 461.333 5.017 30 20 JKED C=C(C)COc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)ccc1OC 747063920 RJUFEPPGPKOLCR-WOJGMQOQSA-N 471.966 5.499 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1OCCCC#N 747472895 ILQYNKNRWXSKKW-CPNJWEJPSA-N 478.517 5.802 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cscn3)C2=O)c1 747598812 FCYOQBRFMLYYFH-HXUWFJFHSA-N 468.579 5.060 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 748584236 MSOJXFSTANASPF-KHPPLWFESA-N 456.329 5.399 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 779187334 MZHJTHSBGLCOTN-OAHLLOKOSA-N 479.489 5.082 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CC(F)(F)F)C2=O)c1 799215573 NHDNJYXGPDITPG-IBGZPJMESA-N 463.525 5.443 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CC(F)(F)F)c(C)c1 799216166 UFTWCIZCZTXMON-SFHVURJKSA-N 494.495 5.043 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)cc1F 838591596 YDWCHIFUQBUTGX-MRXNPFEDSA-N 471.501 5.260 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC2CCC2)cc1 915111199 KKYGNDYKLSXZLO-JOCHJYFZSA-N 451.592 5.072 30 20 JKED Cc1oc(-c2cccs2)nc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 915559664 QXABUKFACYKWME-ZDUSSCGKSA-N 455.561 5.098 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2cccs2)cc1 915743819 VCAMZKQHRIMHLZ-XCZPVHLTSA-N 493.632 6.371 30 20 JKED CC(=O)N(c1nc(C=NNC(=S)Nc2c(C)cccc2C)cs1)c1ccc(F)cc1F 915911689 GNPBMLZDVOZSPO-UHFFFAOYSA-N 459.547 5.043 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1F 916217505 OLMBGPXMCCVHBK-AUUYWEPGSA-N 496.391 5.272 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 916306733 XPLHSZYEIGORER-UHFFFAOYSA-N 478.961 5.306 30 20 JKED Cc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916905769 PMDGLDRJQNNURK-FQEVSTJZSA-N 453.523 5.872 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccccc1Oc1ccccc1 916907090 HOEASOUDPAXTSV-FQEVSTJZSA-N 469.472 5.553 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 916925902 QLNOZBIJIIQLDU-SQJMNOBHSA-N 479.001 5.909 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916939626 PMLIDHZNPOVSME-SFHVURJKSA-N 450.857 5.084 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 916944883 PGMKGWFCQWPXSF-INIZCTEOSA-N 484.368 5.273 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975889 GFURSJWRNBGJHB-LJQANCHMSA-N 468.962 5.710 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\SC(=Nc3cc(C)ccc3C)NC2=O)cs1 917561887 BBSPDAOPUCUNCN-JAIQZWGSSA-N 483.018 5.990 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cs1 917562043 UGDTVCAMBSAINK-WEVVVXLNSA-N 451.762 6.684 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccc(C#N)cc2)C1=O 917664352 GWZGCVBUZFSIJQ-XMMPIXPASA-N 484.581 5.036 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cccc(C)n2)cc1 917679590 QZOWUWOPJDLSKD-DEOSSOPVSA-N 488.613 5.122 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccsc2)cc1 917682566 KBSXVYGJIATKOG-HXUWFJFHSA-N 471.554 5.495 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)cc1 917683299 VBZWQBSPJLRZBK-QHCPKHFHSA-N 454.555 5.027 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2ccccn2)C1=O)Nc1ccccc1 917700250 JQMPKMOTBNJSRS-RUZDIDTESA-N 480.593 5.438 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3cnco3)cc2)ccc1Cl 918627202 HBDJHMHKHKXIJT-UHFFFAOYSA-N 493.972 5.629 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1 919713421 BOTHWVSEYPAWBV-IBGZPJMESA-N 493.386 5.787 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920354102 YVJXKWWPOPTRGU-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2cccc(C)c2C)no1 920354162 ZOYOZVHFMLWFLB-OAQYLSRUSA-N 482.993 5.414 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c12 920679733 FVFRNZDNCWTZCE-MRXNPFEDSA-N 490.491 5.067 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)c1C 921221475 ANEDJPVYTDWXLQ-UHFFFAOYSA-N 488.396 5.837 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 921388189 BVIGSQFJKWRACB-DTBMRADHSA-N 478.545 5.315 30 20 JKED Cc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)n1 1785795019 MQEGLJGKDNLHJM-BMRADRMJSA-N 464.569 5.042 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C#N)CCC2)cc1 1786179257 LOYKBFDYKQDYAB-QFIPXVFZSA-N 496.652 5.144 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)CCC2)cc1 1786366665 SHQXNZDXEHQHBB-UHFFFAOYSA-N 493.991 5.726 30 20 JKED C[C@@H](c1ccc(CC(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1)C(F)(F)F 1787888901 MQDOWUJFPLMFMZ-KRWDZBQOSA-N 457.496 5.333 30 20 JKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)ccc2n1 1789034553 LTOPWWLJQKURLV-UHFFFAOYSA-N 460.537 5.476 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5sc(C)nc5c4)CCC3)cc2)c1 1790073121 NKWBNYTWCXIQHS-UHFFFAOYSA-N 496.592 5.547 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC(F)(F)C4)CCC3)cc2)c(Cl)c1 1790766484 ZAJGLCWEIJHARS-MRXNPFEDSA-N 457.908 5.395 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)cc2)CCC1)C(F)(F)F 1790824977 YKWAYAFESTTWIM-UHFFFAOYSA-N 496.411 5.219 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)CCC2)cc1 1791243326 LAXWWILHZVNQHI-SFHVURJKSA-N 480.609 5.332 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)CCC2)cc1)C(F)(F)F 1791303518 ZFNLKXKIIGCGAB-UHFFFAOYSA-N 496.411 5.448 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)c4cccs4)cc3)CCC2)c1 1791816172 NDHXQKODKKTMQH-QGZVFWFLSA-N 459.571 5.180 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc5c(c4)OCO5)CCC3)cc2)c1 1792122549 MCXJKQQXIKAALH-FQEVSTJZSA-N 495.579 5.423 30 20 JKED Cc1nccn1CCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792126256 CPMWRMXRAUXPLS-HXUWFJFHSA-N 469.589 5.047 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CC3(F)F)cc2)CCC1 1792246913 KKXFEEBOVRYSSS-YADARESESA-N 491.579 5.025 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(s1)CCN3C(=O)OC(C)(C)C)C2 1793052838 CXKRKKNKYCQVTK-ACDBMABISA-N 499.677 5.066 30 20 JKED Cc1ccc(-c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc([C@H](C)C#N)c3)C4)c[nH]2)cc1 1794591389 YZTXBMYQGVAZFZ-NEBIIKFJSA-N 466.585 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1802495393 COUWCBMLTOHGJD-LXFBAYGMSA-N 498.671 5.613 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803219884 HEORFTJQYNSAKK-JZZUXWEVSA-N 478.036 5.128 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(C)(C)C)cc2)C3)cc1C#N 1803841787 NVEVHUXHSBQFEO-BKFWDETESA-N 489.616 5.088 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1804174096 DRLSJTYHGBKUJT-WNCULLNHSA-N 487.625 5.113 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1804844041 OIPPROGOJKVEQI-LSYYVWMOSA-N 482.628 5.473 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccncc3-c3cccc(C)c3)CC2)C1 1805454830 CTURSMSVWHGHNJ-UHFFFAOYSA-N 471.645 5.670 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3cccnc23)[C@@H]1c1cccnc1 1810272560 PTZOULAUBSKGFD-UFHPHHKVSA-N 498.703 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1810500270 NVOFVWLIKXXOAE-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccccc3)CCC2)[C@H]1c1cccnc1 1810503487 RPEPLPPFYFEBAF-ZCYQVOJMSA-N 459.634 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810942744 BNWSJSGPCCDHKA-DENIHFKCSA-N 491.529 5.552 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[C@@H]2c2cccnc2)C1 1811366795 DVCOZHFZPNJMLL-BTYIYWSLSA-N 495.904 5.179 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 1811923867 IHOQWWIBOIGHEH-FPDDQMOCSA-N 487.003 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1811952346 LYWRSUANQCWAOG-OFVILXPXSA-N 481.612 5.320 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Cc2ccc(F)cc2)[C@H]1c1cccnc1 1812473241 ZRJIJPYJSFCLLX-QFZRFWILSA-N 465.613 5.098 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1812590737 TVDLILQTSOQLAE-FESMNKHTSA-N 470.617 5.021 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1813057970 KEMKKGAULPPMHC-HFZDXXHNSA-N 461.650 5.572 30 20 JKED N#CCCC(=O)N1CC[C@H](CNC(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814148076 HHVREQPPEUCBJO-UHSQPCAPSA-N 474.649 5.365 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1815656007 CWNLVAWRSJJTDA-INIZCTEOSA-N 471.385 5.081 30 20 JKED CC[C@H](C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)ON=C(C)C)[nH]n1)c1ccccc1 1816847563 GCDXAHILOKBXML-WGWURMLHSA-N 467.614 5.033 30 20 JKED Cc1nc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)c2s1 1818537155 KXTIFAUGPHGGHJ-JOCHJYFZSA-N 484.585 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3cc4ccccc4o3)sc2C1 1818635437 NIKQOBAYQRRQBM-ACFASDOASA-N 461.587 5.283 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818868077 MUCNRYNIFRJDMR-SELNLUPBSA-N 491.954 5.183 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)[nH]n1 1819302049 YKDYILDAQJEHFN-UGKGYDQZSA-N 459.550 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2)[nH]n1 1819309251 PXFCDNDVMLRAAB-QUCCMNQESA-N 458.509 5.085 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386724 GUNZQDDPPVGVAQ-QFIPXVFZSA-N 480.685 5.165 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(Cl)s2)n[nH]1)c1ccccc1 1819915630 JSBJRKKEHAFISM-PKOBYXMFSA-N 482.009 5.023 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1)C(F)(F)F 1821090412 SKCSJCAEJQQUJW-OAHLLOKOSA-N 494.823 5.506 30 20 JKED COc1cc(C)c(C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1821343194 DCDOONZSFYORRG-YADARESESA-N 485.588 5.282 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1)c1ccccc1 1821415651 PIZXPLZVLDLHJG-YIXXDRMTSA-N 491.595 5.461 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)[nH]n1 1821926706 VFRIWYJIGRJPKI-WZLNFYFKSA-N 471.399 5.090 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)[nH]n1 1822401172 CDQKFZGYLAZVPC-LJQANCHMSA-N 464.488 5.013 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1822582781 WWURZUDNSWPYBI-JOCHJYFZSA-N 450.583 5.087 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 1824141151 IACXEKSAWVPBLC-XMMPIXPASA-N 492.689 5.515 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cnc2OCC)CC1 1824143485 OYHYJPUUUDIMAM-QHCPKHFHSA-N 474.045 5.135 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c(C)c2C(=O)OCC)CC1 1824290881 BREXVEYAKIQITI-DEOSSOPVSA-N 499.696 5.045 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1824545155 UOIMOFKAKYSRAL-VCZPOSNWSA-N 493.511 5.036 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3F)CC2)cc(C(F)(F)F)c1 1824731150 XWRAYHMWQIBFDR-FQEVSTJZSA-N 493.526 5.325 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC(F)(F)F)CC2)c(Cl)c1 1824873515 ATNKGSAGZBWMJV-HXUWFJFHSA-N 469.935 5.178 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3)CC2)c1Cl 1826368989 NGYBWKSNVHHYBB-XMMPIXPASA-N 464.009 5.078 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)Cc2cscn2)CC1 1827127679 KKLIIEWZOTXHQT-MUUNZHRXSA-N 497.664 5.019 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ncccc34)CC2)c1 1828031036 BOSWYJKSJWMUDD-KMRXNPHXSA-N 480.612 5.409 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828496670 BAPNDZWROCINKM-IQGLISFBSA-N 468.041 5.642 30 20 JKED O=C(c1cc(Cl)c(Cl)cc1F)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828999218 HLYCCMXBABCPCN-JHDYRUHQSA-N 494.394 5.078 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3F)CC2)c1Cl 1829689457 GDXFLYCFQIZCKO-OAQYLSRUSA-N 471.935 5.037 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nn2C(F)F)CC1)c1ccccc1 1829763748 RYPGIZSKFVQZHJ-BJKOFHAPSA-N 496.602 5.017 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829837219 FPRBNPFPDBEUBA-WIYYLYMNSA-N 473.614 5.072 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829999410 XLEFWFAVDYIVCF-XMMPIXPASA-N 499.533 5.133 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c(Cl)c1 1830721625 KIISQWDISGDVFO-XMMPIXPASA-N 475.976 5.505 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)CC2)cc1 1830877902 CXYVKIYRPZVYIK-SANMLTNESA-N 487.003 5.307 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)ccc2[nH]1 1831033603 QTNYUKSKUZXQNR-MUUNZHRXSA-N 482.628 5.214 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)ccc2[nH]1 1831036275 VWPZFVOZLZKSRG-HHHXNRCGSA-N 468.601 5.090 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1831370315 KVLNDJPTMAEQRJ-YFNKSVMNSA-N 491.717 5.148 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1831737669 KFZPJTVNUCJWEX-JWQCQUIFSA-N 482.665 5.025 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1831845936 SMIINCBPOAQFPX-CPJSRVTESA-N 482.715 5.531 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccoc4cn3)CC2)c1 1832634391 QZJMIZFILNPOSK-CLOONOSVSA-N 470.573 5.002 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)cc1C#N 1832704857 WSTAYDITDLATML-VAVYLYDRSA-N 477.649 5.325 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)CC2)c1 1832850007 BWNPNUMYUZQMDC-KDYSTLNUSA-N 487.619 5.418 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)c3ccc(C)cc3)CC2)CC1 1838424667 UZHGZUGGHFNBRS-JOCHJYFZSA-N 454.655 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)CC4CCC(C)(C)CC4)CC3)CC2)c1 1838654495 KAVKMLIDDHEWHQ-JOCHJYFZSA-N 493.692 5.532 30 20 JKED N#CC1(NC(=O)CSc2nc3scc(-c4ccco4)c3c(=O)n2-c2ccccc2)CCCCC1 8936671 KLWDQDXNTLUWMF-UHFFFAOYSA-N 490.610 5.142 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)cc1 10179312 QTWKLICGWOWMIH-UHFFFAOYSA-O 460.406 6.161 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2CC)cc1 10179442 UTLLBIVGCUSYKM-UHFFFAOYSA-O 458.434 6.457 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1cccc(C)c1 10241365 XORXUPLLKFIQBX-UHFFFAOYSA-N 472.614 5.352 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1cccc(Cl)c1 10830225 ROQFYMOEPUORPA-UHFFFAOYSA-O 474.831 6.003 30 20 JKED CC(C)n1ncc2c(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)cc(-c3cccs3)nc21 11050929 FXIQIRWTPQEEMG-GOSISDBHSA-N 487.585 5.233 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cccc(Cl)c2C)cc1 11257343 GWXAADZYFGOQGC-UHFFFAOYSA-O 478.852 6.856 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)c1 11259357 MWBQFBJBIODYHA-UHFFFAOYSA-O 455.559 5.406 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 15234719 JMBLGYWOTKRZPE-JOCHJYFZSA-N 476.989 5.186 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2sc3c(c2c1=O)CCCC3 16715425 UMOFFKWUWSQVEG-CYBMUJFWSA-N 493.576 5.661 30 20 JKED C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc(Br)cc1 21927440 USSFYRCXWRFVSX-UHFFFAOYSA-N 453.365 5.350 30 20 JKED Cn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nc2sc(-c3ccccc3)cc2c1=O 22354148 DJPFEASSBJTFMZ-UHFFFAOYSA-N 495.029 5.354 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccc(OC)cc2)n1 23422842 BJWKZNPOCLFYMX-UHFFFAOYSA-N 468.579 5.607 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccoc1C 23519196 CAFLDZCLFAYBCM-AWEZNQCLSA-N 461.385 5.223 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2nc3ccccc3s2)ccc1Cl 26957733 SRTLQWFCMCVTLR-UHFFFAOYSA-N 498.029 5.608 30 20 JKED COc1ccccc1Nc1nnc(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)s1 29348503 QLMXJNVFOYMKHM-UHFFFAOYSA-N 474.011 5.291 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2cccc(OC)c2)n1 36725259 QZWCQJDFGJEMPF-UHFFFAOYSA-N 468.579 5.607 30 20 JKED Cc1csc(N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc2)n1 106195092 GRFPJVWRCFQRQU-UHFFFAOYSA-N 459.531 5.153 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 107807115 STZFOQPJTPQPLW-UHFFFAOYSA-N 490.972 6.304 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1cccnc1 302702961 UKVGLOMFUORLBR-UONOGXRCSA-N 462.406 5.191 30 20 JKED Cc1nc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)sc1SCC#N 302985373 WEMKLQWEMNZIOU-UHFFFAOYSA-N 490.570 5.009 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 303000099 MURAKNAVVTZVBJ-UHFFFAOYSA-N 478.552 5.779 30 20 JKED N#CCCn1cc(C(=O)N2CCC(c3cccc4ccccc34)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 476177586 ZVKNBNIIMNKIMD-UHFFFAOYSA-N 479.540 5.545 30 20 JKED Cc1c(C#N)c(S[C@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)nc2c1CCC2 495057593 ZUJPMQDKCCXXPW-GFCCVEGCSA-N 450.614 6.043 30 20 JKED C=CCN(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502961813 POCQLASUNVYJKV-OXJNMPFZSA-N 468.431 5.090 30 20 JKED CC[C@@H](C)n1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1 504277959 AOCVRHURBZSFFR-CABCVRRESA-N 451.621 5.457 30 20 JKED Cc1nc(NC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)sc1SCC#N 504684016 HIXCGCHMXFJALW-UHFFFAOYSA-N 488.425 6.029 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3ccc(OCC)cc3)nc2C)cc1 508146881 WRBPYVLFOFLUPD-UHFFFAOYSA-N 461.587 5.584 30 20 JKED CC(C)Oc1ccc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C(F)(F)F)c1 510988898 XDBVEBLZJKGTTO-UHFFFAOYSA-N 461.484 5.117 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cccc(Cl)c1 516074950 MBGMAXBTJVFZCA-KRWDZBQOSA-N 454.342 5.496 30 20 JKED CCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 516843439 IJXMZTLCTGHQLC-UHFFFAOYSA-N 469.610 5.011 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)c2c(F)cccc2F)c1 517730790 RHZVPKJOKMGIGE-UHFFFAOYSA-N 476.932 5.276 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 518165509 HIJJVXDQXBOAIA-OXJNMPFZSA-N 461.006 5.689 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2cccs2)n1 518668654 JUVGLEJZRCUHDX-UHFFFAOYSA-N 453.536 6.077 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 519413311 OMCQARFXLWPLHX-INIZCTEOSA-N 488.642 5.886 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(Cl)c(Cl)c1 519437686 QOOWUICLHQBKNT-UHFFFAOYSA-N 450.391 5.032 30 20 JKED Cc1cc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n(CCC#N)n1 520111494 SBAWFRUOLYAQNL-NBVRZTHBSA-N 472.530 5.193 30 20 JKED C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 521223604 HHTPTGKNFDGKPN-AFJIDDCJSA-N 486.575 5.411 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 521366216 IXUGUKTZKYRPLJ-RUZDIDTESA-N 457.530 5.572 30 20 JKED COc1cc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1OC1CCCC1 521382876 MLJZCARFOTZJGA-UHFFFAOYSA-N 495.630 5.354 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 521734507 PYQFPBOKWFVNQJ-UHFFFAOYSA-N 491.516 5.745 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c1 524319231 KQIAIIUMIFRCJB-UHFFFAOYSA-N 477.524 5.106 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4F)C3)cc2Cl)c1 524439053 DSCLACIWJQDJNC-XMMPIXPASA-N 465.912 5.535 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc([C@@H](C)OC)c2)nnc1-c1ccc(Cl)cc1Cl 588826741 OKJMIPZWMYYZBO-CQSZACIVSA-N 477.417 5.876 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(Br)c3)cn2)cc1 603831005 FBKVNEDKASZWOO-OAQYLSRUSA-N 463.335 5.877 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 604027163 KNFUJXONDNKOIP-UHFFFAOYSA-N 467.865 5.572 30 20 JKED CSCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nnc2ccccn12 604088180 IXOKBQTVVULRSH-HXUWFJFHSA-N 492.992 5.663 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)c1 608806938 WRMRHKPAWHJLKD-UHFFFAOYSA-N 494.334 5.499 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 609079025 XIZXJJFUOMTFIN-QFIPXVFZSA-N 474.992 5.747 30 20 JKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104558 HQAGKLRSUNMSGN-MRXNPFEDSA-N 464.518 5.182 30 20 JKED CCC(CC)CN(CCC#N)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 609187025 OJSLCRVQLVMALW-UHFFFAOYSA-N 454.493 5.008 30 20 JKED CN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)c1ccc(C#N)cc1F 609217301 BXCCAXBNUYBZOL-UHFFFAOYSA-N 479.490 5.573 30 20 JKED C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)NC3CCN(CC#N)CC3)c2C1 609329357 IQJAIJWMXXWQJM-UUZBPDLYSA-N 450.586 5.075 30 20 JKED Cc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)NC2CCN(CC#N)CC2)cc1 609330670 SVWHSJVUDWIPFZ-ZBJSNUHESA-N 450.586 5.138 30 20 JKED CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SCCC#N)c1 609376011 VVIANDYNXJZNHK-UHFFFAOYSA-N 493.654 5.940 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cs2)cc1OC 613314337 LFWHCOXIALQRJI-QGZVFWFLSA-N 461.568 5.749 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)nnc1-c1ccccc1OC 617996353 QHJACPDJEOYSJR-RBUKOAKNSA-N 476.646 5.377 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCc3ccccc32)c1 629942928 AIQYRTWCWDPRMN-XMMPIXPASA-N 481.017 5.481 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1oc2ccccc2c1CSc1ncccn1 726320350 XCRXOCLKHOGCTJ-HXUWFJFHSA-N 478.533 5.629 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccsc3)C2=O)cc1 726418561 DYFDBGJSMDIUQM-PUHHMSNFSA-N 497.667 5.602 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC1CCC1)c1cccs1 726421752 PJRSVYUWFJJGHN-NZLXBOQJSA-N 495.592 5.957 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCc3ccccn3)C2=O)cc1 726422279 WBNREPQONAXHRX-WNBREWMXSA-N 478.643 5.084 30 20 JKED O=C(OCc1nccn1C(F)F)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 727553889 PMVJHWWHLAEGPA-UHFFFAOYSA-N 494.342 5.347 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCc3nnc(-c4ccc(Br)s4)o3)c2)cc1 728668430 VHENCOTVHQDDGA-UHFFFAOYSA-N 482.315 5.582 30 20 JKED CC(C)(C)C(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 729070942 VETDKKHBUYOZGG-CJNGLKHVSA-N 464.418 5.578 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](c2ccccc2)C2CCC2)cn1 729145180 JKGSZNONTYGOGX-NOZRDPDXSA-N 487.629 5.405 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 729794910 ZZDACZIWOJEUKF-JWQCQUIFSA-N 457.961 5.592 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1 729889968 VLGKQSWIDYDRMO-DHIUTWEWSA-N 471.557 5.533 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730460286 WVCMFSGGUCGJSO-LJQANCHMSA-N 461.509 5.527 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc3ccccc3c2)s1 730723716 IIAOCHDUVWKNKP-NRFANRHFSA-N 487.610 5.160 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cocn2)C1=O 730723948 JTEAXRUNUPTRHT-IBGZPJMESA-N 490.919 5.075 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)s2)cc1 730921554 WHQCYSJGVXETON-UQBPGWFLSA-N 494.620 5.898 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731070245 ONKNFGIVABZIQP-CQSZACIVSA-N 486.018 5.819 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCOC1CCCC1 731311124 WXFSWLHTYNWSEE-QHCPKHFHSA-N 481.618 5.010 30 20 JKED CCOc1cccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)c1 743538796 OBKQUUFJWPOWEZ-QBFSEMIESA-N 465.933 5.661 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)ccc1Cl 743722111 SNTOARNSHIJHKJ-MAODHWIISA-N 485.049 5.372 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(F)cc1F 746697955 QOMULJGJBGLLDE-OAQYLSRUSA-N 475.561 5.050 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(SC)c(OC)c2)ccc1OCC(=O)Nc1ccccc1Cl 747614333 DTADVHSATYGKLD-FLIBITNWSA-N 498.000 5.993 30 20 JKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Br)c(O)c(OC)c3)c12 754208568 HBVMXUQVOGIDHG-MDZDMXLPSA-N 466.335 5.156 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(CC(F)(F)F)C2=O)cc1 799214858 JBHNQGVOBFGUBO-HXUWFJFHSA-N 491.535 5.535 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccccc1OCc1ccccn1 819841219 RXPQGZKAFUDYAO-UHFFFAOYSA-N 456.358 5.397 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](C)c2ccccn2)C1=O 837543673 CKJQOLZNPGLBRH-CYFREDJKSA-N 488.613 5.592 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3OC)N(Cc3ccccc3F)C2=O)c1 838491744 NFKGRHXLEPKLAG-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840200080 OKDIRJJCIWLERZ-RUZDIDTESA-N 470.598 5.922 30 20 JKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 844151074 PRQVUFVKLLCZHJ-OAQYLSRUSA-N 454.526 5.027 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N(c2nc3ccccc3s2)c2ccccc2C)cc1OC 863968848 PKIWRENCLIEILZ-JQIJEIRASA-N 456.567 6.556 30 20 JKED CCc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3C)=C2C)cc1 904225129 XCKRUZWJJCJVPQ-SANMLTNESA-N 466.610 5.778 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)nnc1-c1ccco1 904510078 JKSIKSKPDDCMTF-UHFFFAOYSA-N 490.520 5.783 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)Cc2cccs2)cc1 914693933 AHGKXWHMFANBNY-FDDCHVKYSA-N 493.654 5.026 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)cc1 915101104 CPWVSHVDNYJEPS-HXUWFJFHSA-N 462.552 5.176 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 915590049 GRIRRBZJLOBEOS-UHFFFAOYSA-N 489.528 5.356 30 20 JKED COc1cc(/C=C\C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1Cl 916135207 JLOXADAFABMHGJ-BENRWUELSA-N 456.325 5.916 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C(F)(F)F)c1 916218019 ZWXAIKBHWYSLMZ-SFHVURJKSA-N 499.942 5.274 30 20 JKED COc1cc(/C=C/C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1OCc1c(C)noc1C 916845960 AHQCULHGYGSFBE-LNENJAERSA-N 459.527 5.378 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1 916910850 CMSWKYXVUMRHLC-QHCPKHFHSA-N 465.557 5.511 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc12 916931964 OXJHWLYPHNBUCS-NSHDSACASA-N 481.133 5.207 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 916936544 OHIDAXJVGWSEBG-MRXNPFEDSA-N 464.971 5.074 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 916946083 JQMAJCGTVGTNKE-SFHVURJKSA-N 484.387 5.640 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cs1 917540208 JXHRXWPBMXIFEE-UHFFFAOYSA-N 472.958 5.050 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cc3ccccc3o2)C1=O 917679524 NNXJPUBGLMJWKP-GOSISDBHSA-N 462.358 5.007 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccc(C)n2)C1=O 917681929 SBSJOIYCBZNEFO-QFIPXVFZSA-N 495.004 5.213 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1ccccn1 917706944 CSGWXBGQKYAGBA-VWLOTQADSA-N 491.576 5.267 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 918460669 OGFVJFWGWUGRPK-AREMUKBSSA-N 476.580 5.477 30 20 JKED N#Cc1c(COC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cn2ccccc12 919535833 WPPHYHJSFNPXMR-RBJSKKJNSA-N 463.537 5.034 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cc1 919665562 CAGYZGVKKLLOKU-SFHVURJKSA-N 495.875 5.019 30 20 JKED O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CCCSC1=Nc1ccccc1 919679874 MYBRYKNZWZOILI-UHFFFAOYSA-N 477.409 5.146 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 920110665 FPVVNMRRRAQFQJ-CXAGYDPISA-N 458.008 5.929 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@@]3(CN(C(=O)c4cccc([C@@H](C)C#N)c4)CCO3)C2)cc1 1781872439 NUQMSYMKLAJFSQ-FWUCURJTSA-N 493.607 5.046 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc3)CCC2)cc1 1785788133 YCRHESMBCYHNGQ-UHFFFAOYSA-N 479.367 5.250 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)ccc1F 1785797751 JLBYQVRQTFTFRD-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCn3c(=O)oc4ccccc43)CCC2)cc1 1785840899 MCKRULHVBWFVCJ-UHFFFAOYSA-N 475.589 5.111 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1)c1ccc(O)cc1 1786903277 RKFYFCMWNVLOSG-JOCHJYFZSA-N 470.569 5.249 30 20 JKED COc1ncc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)cc1F 1787084211 ZHJYYFAXDKVGAF-UHFFFAOYSA-N 481.644 5.028 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787134148 MXPVUGIXVSCVIN-OCSSWDANSA-N 484.531 5.281 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Br)cc4c3)CCC2)cc1 1787888894 MKWOHTXSTKMUOQ-UHFFFAOYSA-N 477.362 5.049 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(C2(NC(=O)[C@H](C)ON=C(C)C)CCC2)cc1 1788509284 RYELAKIDPAPJNU-KRWDZBQOSA-N 496.011 5.099 30 20 JKED CCC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1)n1cccc1 1788600178 ZZBPWAFUXMPLFW-XMMPIXPASA-N 480.572 5.025 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccnc(C(F)F)c3)CCC2)cc1 1788649144 ADTQBDAUGVPVOS-CMDGGOBGSA-N 481.524 5.268 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1789448519 BFLYJHBFYQNRQB-ZEQRLZLVSA-N 495.664 5.582 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)CCC2)cc1 1789454819 FCRPBWBOMHIWBN-OAQYLSRUSA-N 463.534 5.120 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3(NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1789628204 ORZNBRFIHVHJBB-UHFFFAOYSA-N 469.626 5.170 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)[nH]4)cc3)CCC2)c1 1789676818 WZXYBTQBPYQAFU-MRXNPFEDSA-N 480.490 5.722 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)ccn4)cc3)CCC2)c1 1789827899 JIMLKLZTBIUBGY-KRWDZBQOSA-N 492.501 5.789 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c(F)cncc4F)cc3)CCC2)c1 1789868997 LPCSSRSWDMCLHM-INIZCTEOSA-N 460.484 5.048 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCCC4)c(F)c3)cc2)CCC1 1790062902 ICBDRCKGGNWEMH-UHFFFAOYSA-N 467.610 5.093 30 20 JKED CCSc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1 1790836124 OBFPTXSFQOTHGV-UHFFFAOYSA-N 496.596 5.003 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cncc(-c5ccccc5C=O)c4)cc3)CCC2)CCC1 1791106801 PAZWARWNUOQJRP-UHFFFAOYSA-N 478.552 5.003 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)ON=C(C)C)CCC3)cc2)cc1 1791122567 GKAIRXMJKUCHLB-LFNFIXQYSA-N 463.578 5.034 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3csc(C(F)(F)F)n3)CCC2)cc1)C(F)(F)F 1791302799 XNUBCINEYWCYOU-UHFFFAOYSA-N 463.403 5.028 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791442787 PRFDCEWCWXWKPJ-ZTOMLWHTSA-N 493.648 5.288 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C)n3)CCC2)cc1)c1ccc(O)cc1 1791641776 JNJKUPZQEUEMDW-DEOSSOPVSA-N 495.623 5.360 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cn4cccc(Br)c4n3)CCC2)cc1 1791730319 BXCLZFPZTKLRIX-UHFFFAOYSA-N 493.405 5.038 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1791831862 MXUHVHNNACQKRN-QFQMRYFISA-N 491.638 5.197 30 20 JKED COc1cncc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792123369 WRKPJTSZCCPZMJ-HXUWFJFHSA-N 482.584 5.098 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)n4C)CCC3)cc2)c1 1792123450 BXUCGORJBFFHNX-KRWDZBQOSA-N 494.517 5.732 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)cc3)CCC2)cc1 1792151347 JPTVEJHMQPSZOO-UHFFFAOYSA-N 489.579 5.329 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3nc4ccccc4[nH]3)cc1)C2 1798339727 AUQSEJZGUULJIP-UEQSERJNSA-N 468.601 5.250 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)cc2)C3)c1Cl 1799307215 OIPZADAGOZXHFQ-BKFWDETESA-N 469.972 5.444 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)Cc3cccc(CCCCC)c3)[C@@H]2c2cccnc2)C1 1802415281 FLSKPNWIOABDLZ-LBNVMWSVSA-N 459.634 5.029 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1802747547 RQHHKQFFDQAZIV-WMDMVVLCSA-N 487.003 5.304 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1803845389 BQYAFIJCDHTFLP-COFYWFGJSA-N 465.638 5.204 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c(C(F)(F)F)coc3C)CC2)C1 1804858930 YLTGNYOVESACMW-UHFFFAOYSA-N 454.533 5.444 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC3(CCCN(C(=O)C4CCC(C(F)(F)F)CC4)C3)CC2)c1 1806470392 ZWINGUPEAWZUOO-UHFFFAOYSA-N 489.582 5.091 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809440530 GAMKSSZUWWEACD-JTUHZDRVSA-N 499.036 5.070 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)c1 1809755566 AFKHVPCBNWEYOH-GAJHUEQPSA-N 490.585 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)c1 1809759062 TYXZDFCOXZLUTQ-CYFREDJKSA-N 486.622 5.171 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1810173761 BHFBRUQVHVDOPN-IWVFXYMLSA-N 482.628 5.037 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810454067 VULNURFECGETHA-SXOMAYOGSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1811949083 QJEIOJJXIQBZKE-MZYLBHOOSA-N 471.523 5.188 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812301488 GBWWTAIXASVJOS-FIPFOOKPSA-N 493.607 6.069 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1813051036 RHVMACIHSMPANF-IDISGSTGSA-N 465.553 5.104 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(Cc3cccc(F)c3)c2)[C@@H]1c1cccnc1 1814008762 JEPQJXVBGLHBPV-FIBWVYCGSA-N 497.614 5.325 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)n[nH]1 1816223700 MPHBDDZTFUSIHI-WMZHIEFXSA-N 494.546 5.152 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)n3C)n[nH]2)c1 1818383045 MEDMAMKARWYINY-DNVCBOLYSA-N 498.509 5.014 30 20 JKED Cn1ccc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)c21 1818725708 OOVQICHDLKYGMU-JOCHJYFZSA-N 486.963 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)nc3ccc(O)cc23)n[nH]1 1819004138 OOGOWNSXRVWNSO-QHCPKHFHSA-N 475.593 5.270 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2F)[nH]n1 1819307725 MMZUPOSBRJFDAF-OXQOHEQNSA-N 476.499 5.225 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1819385271 PFNSCAIAEMQANI-HXUWFJFHSA-N 493.709 5.376 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1819478207 RFVJVBDHQZHAEK-NPSPNJCMSA-N 495.992 5.296 30 20 JKED CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)CCCCC1 1820221293 STOGWBSRVOSQEN-LJQANCHMSA-N 453.974 5.211 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)n[nH]1 1821007358 RKKKCKOVFSWQTI-WIOPSUGQSA-N 464.516 5.490 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821147758 MPKAXIMJJUESBD-FYYLOGMGSA-N 464.610 5.661 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2CCCCO2)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821150996 QDCVSRMYMUOPRB-VPUSJEBWSA-N 496.611 5.075 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821179515 ZJGYQESVXZZSLL-QFIPXVFZSA-N 461.953 5.057 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)[nH]n2)c(Cl)c1 1821274263 AOFNXYMJGKUGGK-VIZSFHNOSA-N 491.954 5.183 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)n[nH]2)C1 1821287035 ODYANTZGQSCQQU-OAQYLSRUSA-N 497.571 5.168 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1 1821789765 HWHFYSVYRFEUBH-YWZLYKJASA-N 494.423 5.142 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821928954 QDJFPMKGLVZUDQ-ACJLOTCBSA-N 452.452 5.086 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1F 1823210538 HBKIHZBTHOLESX-DFBJGRDBSA-N 487.579 5.423 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)cc1C#N 1823293756 FFUVHLGFXXOIHR-VTDHPELSSA-N 489.620 5.345 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)n[nH]1 1823516570 KMDQNIWDUQIIQG-QUCCMNQESA-N 489.661 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccc(C)cc2)CC1 1823947524 LMYZQFHNASMYEZ-RUZDIDTESA-N 454.655 5.376 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 1823978292 ZNNVWHBNRZAIRT-UQBPGWFLSA-N 464.009 5.249 30 20 JKED O=C(c1ccoc1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055513 NRXDHGPOZJJBGX-NRFANRHFSA-N 492.925 5.237 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2OC)CC1 1824321232 JGGNYAYMLPNLLD-LOSJGSFVSA-N 452.639 5.016 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1824508316 JJXOMTPGZVSMCK-ATIYNZHBSA-N 476.617 5.303 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824837125 IACAOGFWFPBHEG-MDRMPYQZSA-N 460.540 5.142 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1826195408 RPRBRSBTQSKWNZ-NTKDMRAZSA-N 479.024 5.218 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2n1 1827278145 PGMNHBSZDJGYHY-UQBPGWFLSA-N 484.600 5.310 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2cnn3C)CC1)c1ccccc1 1828313470 SNQLPHXWADRWCO-LSYYVWMOSA-N 496.655 5.004 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnc3ccccc3c2)CC1 1828823403 GJSWCIFPTYVTTG-IXCJQBJRSA-N 473.661 5.556 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(-c3ccccc3)ns2)CC1 1828825427 VUYZIKNKKYTARG-XZOQPEGZSA-N 478.662 5.207 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1828830084 KOQUAQINAKQYDH-IGKIAQTJSA-N 499.655 6.430 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2F)CC1 1828906737 FGDAPIGQLCHHLM-DEOSSOPVSA-N 456.678 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 1829069178 NOOIHDHUDCTSTP-VWLOTQADSA-N 462.638 5.098 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1829098982 AEGJOBUFFPFNFY-RUZDIDTESA-N 475.658 5.201 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C(C)(C)C#N)CC3)ccc21 1829695844 SZOITADAYOJAJO-VWLOTQADSA-N 484.644 5.597 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)[nH]c2c(Cl)cccc12 1830014934 MEDFVJIONWYWGC-XMMPIXPASA-N 489.019 5.549 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830556087 NNZBUUJDGCPUHM-QHCPKHFHSA-N 467.972 5.206 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccccc2C#N)CC1 1831577318 OJOXRBKABOVYFM-RUZDIDTESA-N 481.681 5.553 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc4ccccc34)CC2)CC1 1835279376 TUBNRNJVSDWVIN-UHFFFAOYSA-N 461.650 5.017 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)sc3Cl)CC2)CC1 1836020780 UFXFCDBEXXIQRL-SFHVURJKSA-N 484.493 5.009 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(N3CCC(NC(=O)CC4CCC(C)(C)CC4)CC3)CC2)c1 1836421361 PFPUAEXRWIXBLU-QFIPXVFZSA-N 492.708 5.105 30 20 JKED Cc1cccc2cc(C(=O)N3CCC(OC4CCN(C(=O)c5cccc([C@@H](C)C#N)c5)CC4)CC3)[nH]c12 1838310742 HUEGFPSHMYIIQN-NRFANRHFSA-N 498.627 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)C1 1845737788 UVKKDBLDXLHGCP-UHFFFAOYSA-N 472.427 5.048 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1CCc1ccccc1 15089308 AFRSTRYOUDTYBS-FQEVSTJZSA-N 489.645 5.020 30 20 JKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1ccccc1OC(F)F 15806226 HSZMRMMOJYYGCN-HNNXBMFYSA-N 468.481 5.495 30 20 JKED Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)c1 16684118 WIAGVIDDNWIXCH-UHFFFAOYSA-N 493.633 5.791 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(F)ccc2F)nc2scc(-c3cccs3)c2c1=O 21998700 BPDRRVLIWFZRDZ-UHFFFAOYSA-N 475.567 5.382 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2cccc(C)c2)cc1 22728994 VBRFIDHOMNGSOT-UHFFFAOYSA-O 454.413 5.658 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccccc2CC)c1C 22729866 DROIQYPLPSZJRZ-UHFFFAOYSA-O 478.638 5.326 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2oc3c(ccc4ccccc43)c2C)nc1C 22972597 ZWUNXIHQUZCWBZ-UHFFFAOYSA-N 461.572 5.645 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1cccnc1 23283300 XSPDYNCBLSYWRM-IBGZPJMESA-N 486.576 5.204 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cc1 25439256 HTHFGTUCEDGRHX-UHFFFAOYSA-N 498.402 5.303 30 20 JKED CC(C)Oc1ccc(CCNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 25885730 OIUYIGQRYFSVHJ-UHFFFAOYSA-N 473.598 5.049 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)cc1 26756702 VCLSNWBQROHYRG-QGZVFWFLSA-N 451.621 5.001 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@@H](C)Oc1ccccc1C#N 30252465 XFIWFXBNBPMDMK-GOSISDBHSA-N 450.560 5.023 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc3ccccc3n2C2CCCCC2)CC1 71933863 PIOUYUHVKYSYDR-UHFFFAOYSA-N 484.560 5.516 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)oc2ccc(Br)cc12 71981823 OHFABVKAZXINAK-UHFFFAOYSA-N 475.342 6.401 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 107813902 BXKXBWUFXAUXQE-AWEZNQCLSA-N 471.410 5.374 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 109858326 VIBLFERVFWJXEM-KRWDZBQOSA-N 474.374 5.047 30 20 JKED Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N(C)C[C@@H](C)C#N)n1C1CCCCC1 115900466 LDMNNMLMDBHOFH-INIZCTEOSA-N 476.046 5.034 30 20 JKED C[C@H](CC(=O)[C@@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(C(F)(F)F)cc1 195652759 AZVSFYOQOZJQHK-MLGOLLRUSA-N 459.493 5.252 30 20 JKED Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cs1 195664253 WRSXJMVCVDFANH-MRXNPFEDSA-N 456.017 6.497 30 20 JKED N#C[C@@H](COC(=O)c1csc(-c2cc(Br)cs2)n1)Cc1ccc(F)cc1 195696835 RODBNWUSYOVMMQ-LBPRGKRZSA-N 451.342 5.312 30 20 JKED C[C@@H]1C/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)N3CCC(C#N)CC3)c2C1 195745646 NGEFYYNMICXMQU-SEDGDDRASA-N 464.613 5.799 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nc2sccc2c1=O 247907333 CODYPTHARZXDGY-UHFFFAOYSA-N 489.047 5.731 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cn2cc(Br)ccc2n1 302958360 PPJADTUGCZTFFM-UHFFFAOYSA-N 490.814 5.399 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)cc1 303025674 SDDGAHHTDLUTTE-UHFFFAOYSA-N 482.561 5.885 30 20 JKED C=CCN(C(=O)[C@@H](C)Oc1cccc(C(C)C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 410140786 SERMKHOTVKEVSA-GOSISDBHSA-N 484.643 5.324 30 20 JKED CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 477267560 UQQMLUXSVDXUMA-GOSISDBHSA-N 488.588 5.740 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(OCC(F)(F)F)nc3)s2)c(C(F)(F)F)c1 487108264 KPYCUFVAAPDUQI-UHFFFAOYSA-N 486.397 5.213 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)cc1 498361028 CTPAREYYNBQGNF-UHFFFAOYSA-N 492.622 5.188 30 20 JKED CN1CCC2(CC1)C[C@H](NC(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)c1ccccc1O2 500117535 QTGVUXOICIGESQ-DEOSSOPVSA-N 471.532 5.208 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)CC2)c1 501691202 TVJKMIHNIULERH-UHFFFAOYSA-N 499.423 5.408 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1 501780316 NYTVHCSPJGTSCB-AWEZNQCLSA-N 465.388 5.242 30 20 JKED Cc1nc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)sc1SCC#N 504763897 YULACDVNUUJOFX-UHFFFAOYSA-N 464.366 5.254 30 20 JKED N#Cc1ccc(CN(CCC(=O)Nc2c(Cl)cccc2Cl)Cc2cccc(F)c2)cc1 505797132 SUSSZWHMFYBVMP-UHFFFAOYSA-N 456.348 6.035 30 20 JKED CN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Br)cc1Cl 508171393 GCUIERWQCQGZKW-UHFFFAOYSA-N 489.757 5.102 30 20 JKED CCN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)[C@@H](C)c1ccc(C#N)cc1 509560788 PBIGXFGNALQJLN-QSSXUJFUSA-N 496.592 6.617 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1Cl 510023498 LJESBPJPDGCEFR-QHCPKHFHSA-N 484.943 6.162 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 510230185 RLZOCKLYKGEJSW-OYRHEFFESA-N 455.558 5.521 30 20 JKED CC1CCN([C@H](CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2cccs2)CC1 510245296 PGQJRYZKOCEXDV-LJQANCHMSA-N 498.703 5.358 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1nc(O)c2c3c(sc2n1)CCCC3 513654005 INNZWTZFNWVIAJ-OAHLLOKOSA-N 465.987 6.148 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1sc2c(c1C#N)CCCCC2 516071241 AYHOEUQFOXBTOQ-UHFFFAOYSA-N 473.524 5.286 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(CCC)c23)cc1 516354764 JLOPXIBAIUXAHH-UHFFFAOYSA-N 470.529 5.502 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)cc2)c1 518256597 HRJBEIRLPWHCMQ-UHFFFAOYSA-N 464.529 5.547 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4ccc(Br)cc4c3C)n2)cc1 518516656 QXUOCAAKMOSAPN-QGZVFWFLSA-N 467.344 6.126 30 20 JKED COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1 520825144 ZGXRASFGKCEJHM-GOSISDBHSA-N 495.626 5.024 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 520835230 CZMAEYUGFJOPLL-UHFFFAOYSA-N 451.451 6.086 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2sc3c(c2c1=O)CCC3 521720913 XUUNWHNCYMLOKV-OAHLLOKOSA-N 496.683 5.115 30 20 JKED N#Cc1cc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)ccc1OCC(F)(F)F 524304516 ANDQBVQUMHHROQ-GOSISDBHSA-N 474.266 5.412 30 20 JKED CCCN(CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)Cc1ccc(C#N)cc1 549642759 QVZPDEUDVFFLNX-JOCHJYFZSA-N 468.601 5.242 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2)cc1 589446333 IWZNYFIONWOINU-UHFFFAOYSA-N 495.623 5.007 30 20 JKED COc1ccc(-n2c(SCCC(=O)Nc3ccccc3C#N)nnc2-c2cccc(C)c2)cc1 589941786 YYFUSIWMQGRDIU-UHFFFAOYSA-N 469.570 5.244 30 20 JKED O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 591474172 DVQQYVCLGHKMBR-OAHLLOKOSA-N 478.368 5.291 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)nc(O)c2c1C 602754953 DERJBESLEBIPLR-MFKMUULPSA-N 472.661 5.332 30 20 JKED CSc1nc(C2CC2)cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C#N 603576321 NMZSYHSYUUQFKL-GHMZBOCLSA-N 451.436 5.192 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)N(CCC)Cc2ccc(C#N)cc2)s1 603670510 YOVJODHONWVNPU-UHFFFAOYSA-N 484.625 5.596 30 20 JKED CCCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604138820 JTEMNULFQIEMAR-AREMUKBSSA-N 470.573 5.540 30 20 JKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 608864394 SDTCAUVGEYPUKQ-UHFFFAOYSA-N 461.953 5.407 30 20 JKED CC(=O)N[C@H](CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)c1c(F)cccc1F 608935880 JCRSEBQXNGLGQK-HSZRJFAPSA-N 465.475 5.085 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccc(F)cc4)nc4onc(C5CC5)c34)CC2)cc1 609023086 BFBZRPDILVQNCC-UHFFFAOYSA-N 495.558 5.126 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 609088623 GZBNFWJTORANDB-OAQYLSRUSA-N 453.542 5.160 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(-c2ccccc2F)s1 609381666 GSFYAWMDAQLEMT-UHFFFAOYSA-N 451.470 6.226 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)n2)cc1 612941637 JFUMVWHQWFGWPM-GCJKJVERSA-N 479.627 5.029 30 20 JKED Cc1cc(C)n2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c2n1 613344670 LYMZSFLKZRWZDG-HNNXBMFYSA-N 456.358 5.575 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1OC 613402484 BDAGTUZIOTWITI-ZDUSSCGKSA-N 455.948 5.580 30 20 JKED Cc1nc(C(F)(F)F)ccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 614386860 UVYLWHSCKRTUMY-ZDUSSCGKSA-N 456.276 6.329 30 20 JKED CC(C)(C)n1ncc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C(F)(F)F 615707637 YCCNICZCGJUTMU-RKDXNWHRSA-N 453.349 5.296 30 20 JKED COc1cc([C@@H](C)NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccncc1 616056035 KQYFUEAGNHHLGO-GOSISDBHSA-N 483.490 5.100 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 620267041 QNOXXHXXTGHXCJ-UHFFFAOYSA-N 469.520 5.167 30 20 JKED O=C(Nc1cccc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1)c1ccc(F)cc1 642263295 IYMDMVLPEWQSPN-HWWDLCQESA-N 476.392 5.717 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 726396129 CWZJUOCAYRZLKJ-GAJHUEQPSA-N 479.577 5.364 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414650 DAXRYBCQNQUDIS-JOCHJYFZSA-N 451.592 5.237 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cscn2)cc1 726416466 WPZDVXSPGFMUNV-NRFANRHFSA-N 480.615 5.091 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)COCC(F)(F)F)c1cccs1 726421819 PWEKKZGHJVOXJA-AYDXLBRUSA-N 499.580 5.105 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 726526713 XYXAGUOEIXIAQM-SANMLTNESA-N 479.511 5.994 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)C=C1 726572516 ZACKIDCRSNXTCC-UHFFFAOYSA-O 499.443 5.666 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCO3)[n+]2ccc3c(c2)CCCC3)c1 726572604 DGUDBHGNXFUFGA-UHFFFAOYSA-O 453.587 5.092 30 20 JKED COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N 726626845 HMPYEPVXXBORRR-AINDZBIGSA-N 479.410 5.867 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 726695341 DACBBHRZWNLEOY-RCZVLFRGSA-N 481.531 5.943 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1 726733169 QOYFCCXVTLVUKY-FQEVSTJZSA-N 450.991 6.463 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(CCC2CCCCC2)o1)c1nc(-c2ccccc2)cs1 727266443 ZJIJXZUCPXHPLR-SFHVURJKSA-N 452.605 5.675 30 20 JKED Cc1cc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c(C)n1-c1ccc(C#N)cc1 728267115 CCRWFVGXJKOWRR-HXUWFJFHSA-N 450.542 5.431 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2C2CCCC2)cc1Cl 728429059 FJNKCVFKFGOIIF-NRFANRHFSA-N 482.993 5.123 30 20 JKED Cc1ccc(NC(=O)COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(Br)c1 728668554 XYLZIOHKEVHOMB-UHFFFAOYSA-N 465.303 5.217 30 20 JKED N#Cc1ccc(SCC(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 728677401 QHLCSERKDQMCGC-UHFFFAOYSA-N 464.157 5.446 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(CCCCC#N)C1=O 728778501 SDBQOCAJRRCKCZ-QFIPXVFZSA-N 499.036 5.620 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2CCCCC#N)cc1 728778588 SUKRUZRTRYPZSV-HSZRJFAPSA-N 462.619 5.142 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 728778720 UVOGBHYVOLIRMB-HSZRJFAPSA-N 456.571 5.494 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)c1 728780332 QTYZUXKELPEBIN-NRFANRHFSA-N 482.968 5.115 30 20 JKED CN(CC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1)C(=O)OC(C)(C)C 729039553 UHVDCYQCDZZYII-UHFFFAOYSA-N 496.583 5.387 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 729144725 YKSPCTLAXDVLMS-SFHVURJKSA-N 490.532 5.029 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3scnc3C)C2=O)cc1 729145085 HSVDIIBKWBFLDL-IBGZPJMESA-N 485.034 5.574 30 20 JKED COc1cc(C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 729428748 XSMJVYOWDZEPBZ-KRWDZBQOSA-N 497.891 5.061 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc(-c3ccccc3)nc21 729889623 ROPKVNFSVVWNMO-FQEVSTJZSA-N 457.921 5.294 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CCc3c(C)noc3C)C2=O)cc1 730441828 MKKNUTLRHYCJOU-QHCPKHFHSA-N 490.629 5.420 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CCOC 730525948 LMYOTBHVUSLTPU-SFHVURJKSA-N 480.417 5.163 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sc2cccc(Cl)c2c1Cl 731069101 FKJNWJMCANQHAL-LBPRGKRZSA-N 479.410 6.255 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCSc1ccc(Br)cc1 731136038 LCSVXSMFPHZGRV-INIZCTEOSA-N 495.826 5.639 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1c(C)cc(C)cc1Cl 731310036 ZJYJVWZWHTVTNM-JXFKEZNVSA-N 490.025 5.048 30 20 JKED COc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)ccc1S(C)(=O)=O 747066396 JQUUBDFSAAEFEF-SDNWHVSQSA-N 486.593 5.464 30 20 JKED COc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1OCCCC#N 747361411 LOTKLPNZDTURKS-PDGQHHTCSA-N 486.956 5.035 30 20 JKED COc1ccc(N2C/C(=C/c3ccc(NC(C)=O)cc3)C(=O)/C(=C/c3ccc(NC(C)=O)cc3)C2)cc1 750916940 PQGBGXQFPPQQBQ-DRPBVWSQSA-N 495.579 5.168 30 20 JKED Cc1sc2ncn(N=Cc3cnn(Cc4ccccc4Cl)c3)c(=O)c2c1-c1ccccc1 767043973 ANCLRWRQTYBGPX-UHFFFAOYSA-N 459.962 5.214 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N([C@@H](C)c2ccccn2)C1=O 837641597 OLGJIHOHCZKGKR-CYFREDJKSA-N 488.613 5.429 30 20 JKED CCN1CCC[C@H]1Cn1c(C)cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1C 914692157 MWOOVIIOEOTEOC-QHCPKHFHSA-N 473.646 5.218 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc2ccccc2n1C(F)F 915104612 UHFIRQVURZAWOP-HNNXBMFYSA-N 455.852 5.334 30 20 JKED C[C@H](OC(=O)c1cccnc1Oc1ccc(Br)cc1)C(=O)N(CCC#N)c1ccccc1 915513672 AZWLSGYOJWPSKR-KRWDZBQOSA-N 494.345 5.129 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2nncc3ccccc23)cs1 915909109 AGXWXLZPKRJZCJ-UHFFFAOYSA-N 456.453 5.236 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 916206374 QRCCJQWREDEGJC-GOSISDBHSA-N 467.488 5.461 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1c1ccccc1OC 916231744 ZHRRPCAOVAURHQ-JOCHJYFZSA-N 479.533 5.008 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1ccc(Cl)cc1 916310670 CLJPRKUYVPETFB-UHFFFAOYSA-N 453.951 5.198 30 20 JKED CCCCCCC[C@]1(C)NC(=O)N(N=Cc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)C1=O 916329423 INRCVNPTKRMRQD-QHCPKHFHSA-N 491.564 5.111 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 916710712 FPGXJUJPZKQKHM-SHLVRQGHSA-N 483.421 5.031 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 916901031 WSJCIFRORFQEJX-APWZRJJASA-N 463.921 5.153 30 20 JKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1C 916908976 OSHFLELGVNZOIQ-OAQYLSRUSA-N 450.498 5.243 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cc1 916953944 FKSLIMHIEQUJCB-MBSDFSHPSA-N 475.618 5.344 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996096 GHTAWDONBCZTCS-CXAGYDPISA-N 462.402 5.474 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 917046409 JSMQTEANZWTHSJ-CQSZACIVSA-N 451.798 5.822 30 20 JKED N#C[C@H](C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1nc2cc(Cl)ccc2s1 917047327 WWOBSMTZVGMENQ-QGZVFWFLSA-N 480.018 5.435 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2s1 917420549 SVDPUQQEYXWLPK-GFCCVEGCSA-N 460.403 5.663 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1CSc1nc(C)cs1 917504945 HVNRAHLGEZBEHM-GOSISDBHSA-N 481.599 5.071 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc(OC)c1OC 917561680 JZGUAMXRGKYQFW-YFHOEESVSA-N 472.950 5.403 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918418441 AJMVQZHRPBCUOJ-OPAMFIHVSA-N 466.368 5.807 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@H]2c2ccccc2)c(C)c1 920353312 GXMSBBUQTSGHDR-QQSVUBKYSA-N 491.657 5.072 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2)no1 920355425 MKCWNJZSLUCNDZ-HXUWFJFHSA-N 468.966 5.105 30 20 JKED C[C@H](OC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)N(CCC#N)c1ccccc1 920610411 PDKOTUHONPWNCW-FQEVSTJZSA-N 495.535 5.106 30 20 JKED C=C(Br)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 920984424 OVNYQYGLHIMKSI-LJQANCHMSA-N 472.408 5.172 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(C3SCCCS3)cc2)c1 925497079 UCOSXPJFOVPBKH-LJQANCHMSA-N 468.644 5.664 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1 1786076221 ACYZNSCSBOAQIL-QPPBQGQZSA-N 493.648 5.174 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccsc3)CCC2)cc1 1786545281 XDLSATUGJPSDAG-SYZXBLONSA-N 495.645 5.365 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4cccc(N(C)C)c4)cc3)CCC2)c1 1786706570 FHYFITDISNIBAV-OAQYLSRUSA-N 496.611 5.206 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cc1 1788649173 BFUDTZYBCQGHLA-JQIJEIRASA-N 488.609 5.263 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnnc4ccccc34)cc2)CCC1 1788958587 SPABWWNSFYABIR-UHFFFAOYSA-N 484.676 5.429 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cn5ccc(Cl)cc5n4)cc3)CCC2)cc1 1789101932 ANUVOTVOUHZMAY-UHFFFAOYSA-N 483.959 5.115 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=C(C)CC3)cc2)CCC1 1789109284 DOGQHDDXTLINHW-NZQKXSOJSA-N 481.637 5.336 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)CCC2)cc1 1789624103 JHZWJWUJUOUDHR-UHFFFAOYSA-N 494.632 5.381 30 20 JKED Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(F)c(C#N)c5)cc4)CCC3)ccc2[nH]1 1790523917 KKKZBINRLRWQEV-UHFFFAOYSA-N 480.543 5.478 30 20 JKED CCOC(=O)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1F 1790706910 ZVMRDURFNAAVIZ-UHFFFAOYSA-N 499.542 5.130 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)c1 1790711258 SYABCVSISYYJDT-HXUWFJFHSA-N 490.563 6.030 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(-n4cncn4)c3)cc2)CCC1 1790780288 TVRSIMNYQCGGHW-UHFFFAOYSA-N 499.691 5.066 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)CCC1 1790814987 JACBNMYKLUANLJ-LJQANCHMSA-N 471.557 5.492 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(F)c(F)ccc4c3)cc2)CCC1 1790965464 HXGFGSJJBSQQEN-MRXNPFEDSA-N 480.515 5.062 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)cc3)CCC2)C1 1791033805 XDVLRTQHGMGKSJ-XMMPIXPASA-N 495.664 5.560 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)cc2)CCC1 1791482471 YYXJUZREZUPUDN-FGZHOGPDSA-N 465.391 5.100 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1 1791948081 UOMNLPRIZQLLPN-HSZRJFAPSA-N 495.620 5.124 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3occ(-c4cccnc4)c3[nH]1)C2 1792572878 NNJFTWJTJSTVSZ-ACDBMABISA-N 460.578 5.067 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c3ccccc13)C2 1793052814 BYZCMYQZKSBOFA-ACDBMABISA-N 481.434 5.623 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccccc1)c1cc2scc(-c3ccccc3)c2[nH]1 1795690762 CXTQCRUNQGDVIJ-NUNAXRQHSA-N 479.605 5.200 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)c1 1795833152 PMIADYLBGZOLQS-HNCNJFBMSA-N 497.517 5.177 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)c(F)c2)c1 1799340726 VAWFTHVZNGMMJT-XSGUUIGASA-N 481.571 5.685 30 20 JKED Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)c(C)c1 1800744277 MBKVHWOTJPAVMZ-KOUNCHBCSA-N 469.507 5.068 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1802491008 FKWXGQZICRVUER-ODGPQVTHSA-N 465.663 5.261 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1802740542 XPOCIVPZIFNQTE-FPDDQMOCSA-N 487.003 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1803079358 MCFASCMKKXLSTG-VAVYLYDRSA-N 483.612 5.088 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)ccc3F)C2)CC1 1805129512 NKWNVMDVXFSEMC-UHFFFAOYSA-N 477.418 5.201 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1808877555 WZGZBJKKDROICU-AHWVRZQESA-N 451.655 5.462 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1c1cccnc1 1809143897 UBMFCJOFQUILQM-SQJMNOBHSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1809671086 CDLNGYXZVFIWNN-ADSMNUKGSA-N 477.008 5.123 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1810173853 XJVNORGWSHDEOL-KNKQGSTJSA-N 475.511 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810174619 OFPBAODSCZXLLK-OYFGVDPJSA-N 495.623 5.962 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c(F)c1F 1810276670 IFKHMVUMZALYJX-HFZDXXHNSA-N 497.662 5.039 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c(C)c1 1811753836 WSYLHNSMLZHKTI-ATIYNZHBSA-N 487.003 5.165 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1813228776 XYYHRBBAMXUPOD-HOFKKMOUSA-N 492.063 5.446 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@H]1c1cccnc1 1813229217 LCZVXGZMJGDRJP-IADCTJSHSA-N 494.595 5.336 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c1 1813864330 ZFIBVRAWWUHSCK-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)[nH]c12 1813866197 NINMHHBXAMSWTA-OUKRDIKDSA-N 491.595 5.132 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1813964961 JFYKSBZBUIYZAK-XQFWAAQXSA-N 489.513 5.328 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)[nH]n2)C1 1814396804 KCCAJKAJCWJDFG-RUZDIDTESA-N 479.584 5.602 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1)c1ccc(O)cc1 1816695268 VXYCJOGERAAPJN-DHLKQENFSA-N 476.621 5.275 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)noc2CCC)n[nH]1)c1ccccc1 1818278249 WJPGWOCZZLSFHM-JTHBVZDNSA-N 487.604 5.162 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@]3(F)CCCCC3(F)F)n[nH]2)c1Cl 1818889185 CZHRXLXZINTELR-VGSWGCGISA-N 493.917 5.158 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1)c1ccccc1 1819521301 LDPRPRUZAIBDRC-ZIHSNCGMSA-N 480.559 5.345 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(Cl)n2)n[nH]1 1819969745 YZFCIOGRLHWFOL-MAUKXSAKSA-N 462.381 5.186 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c1 1821304995 WXNDUVLNCZGUDZ-XMMPIXPASA-N 453.546 5.087 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310405 UCFYTBWBWZAWJQ-HXUWFJFHSA-N 473.499 5.352 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccccc3c2Br)n[nH]1 1821533181 RZMAFOHGBWXVOG-OAQYLSRUSA-N 493.405 5.435 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821610368 SRIIRNOPMMEMTQ-QHCPKHFHSA-N 486.572 5.598 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1821919703 BOEGRCPLTRCWDW-QRWLVFNGSA-N 467.957 5.236 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1822581702 QADKNYLXGVQAHE-HXUWFJFHSA-N 461.591 5.033 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)[nH]n2)c1 1823211199 LIVYLIGHUCXMRY-QMHKHESXSA-N 493.970 5.378 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)cc1 1824837323 MWTVUIUWLQLEDA-QXJBOHEXSA-N 495.545 5.524 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824956798 SWJLPNKMVCYPPI-CZQLGGELSA-N 480.596 5.258 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3cccc4ccccc34)CC2)c1 1824957107 PSCLJDSEECXXPN-NDEPHWFRSA-N 495.623 5.332 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1)c1cccs1 1827683191 WSMRIKSITCSDOX-NDDJGDGRSA-N 493.654 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1828829017 CHMLTUQHPYCHCF-DENIHFKCSA-N 464.984 5.620 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)CC1 1828933181 PWCMHJHIUFIQRP-TWFMJERGSA-N 464.675 5.262 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4cccs4)on3)CC2)c1 1829282138 SFQIBUWDUGFXLA-HSZRJFAPSA-N 488.613 5.130 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c1 1829446481 KNNCTUCVLNLASX-OAQYLSRUSA-N 456.011 5.129 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=Cc3ccccc3NC(=O)C2)CC1 1829578706 AAYINXBWQNMCFS-VWLOTQADSA-N 477.649 5.024 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)CC1 1829819805 XPZDOQCURAIIJB-XMMPIXPASA-N 454.659 5.028 30 20 JKED CCCCCc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)ON=C(C)C)CC2)c1 1830417466 ZLBNAYAJNWYTEK-HOFKKMOUSA-N 483.697 5.382 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)c1 1830770798 HNAKSNXDBLXIHK-RUZDIDTESA-N 498.652 5.537 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3onc4ccccc34)CC2)c1 1830926219 FGQFRDKPPAYZAA-UQBPGWFLSA-N 470.573 5.002 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc(Br)cnc23)CC1 1830999576 VAKAFUQMOAOENH-FDDCHVKYSA-N 498.465 5.443 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)s1 1831141750 URLCSDXQDNLNMQ-HSZRJFAPSA-N 478.662 5.295 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831748676 CYTOQGITWNHDCF-WZONZLPQSA-N 493.475 5.236 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Sc2ccccn2)CC1 1832163863 ODXRTEWMUYZOOI-RBBKRZOGSA-N 457.684 5.174 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c(Cl)c1 1832607954 SYYHCBLUBCLIIH-VWLOTQADSA-N 464.009 5.262 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832629128 JXFRDCKHBSSDMX-BQVIPMCUSA-N 499.655 5.359 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)c1 1832629389 OXTOGOBKTIIADX-MNNSJKJDSA-N 483.656 5.278 30 20 JKED C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1)Oc1ccccc1 1832633206 GRHWTTGVPRPNOX-SXDGJLEOSA-N 487.644 5.405 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1832792836 AXVNEFUYDWYADM-JYSHFMIGSA-N 497.595 5.016 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCCCCCC(=O)OC)CC1 1832932636 QRBIJJYAVXOIIC-VWLOTQADSA-N 474.686 5.094 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)c1 1841409083 FACHFYSHIXBUKG-UHFFFAOYSA-N 461.993 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Br)ccc3s2)C1 1844060490 SOABNBSDODKVMI-GOSISDBHSA-N 473.436 5.249 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1847531139 DWPRXUZIVPJVRK-OYDLWJJNSA-N 466.025 5.211 30 20 JKED C=CCn1c(SCc2nnc(-c3ccco3)o2)nc2scc(-c3cccs3)c2c1=O 9964551 WKHOTBGZBHTPMN-UHFFFAOYSA-N 454.558 5.308 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2ccccc2CC)c1C 10173638 VYEKGRVUBPYCNA-UHFFFAOYSA-O 478.638 5.271 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1 10279092 AVJCFIFRTYLWMS-SANMLTNESA-N 498.656 5.380 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(CC)cc2)cc1 11089355 MMQFUYIAXIBQRX-UHFFFAOYSA-O 468.440 5.912 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C(=O)OCC)cc2)cc1 11253390 XVVCFFLLOGWAOZ-UHFFFAOYSA-O 481.663 5.833 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc2scc(-c3cccs3)c2c1=O 11382522 MDZZBYKJMJSETP-HNNXBMFYSA-N 484.672 5.196 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nc2cc(Cl)ccc2c1=O 15042826 AUMPLQHZBQPDJM-UHFFFAOYSA-N 467.950 5.281 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2)cs1 16706979 XPFSJZPRCZDSQM-UHFFFAOYSA-N 479.612 5.298 30 20 JKED C=CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1OC 18074774 RIBZFYUJPJXVGR-HSZRJFAPSA-N 456.542 5.312 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nc2sc(C)c(C)c2c1=O 23405197 LLCVYKNQJLXGDP-JKSUJKDBSA-N 459.662 5.167 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1 28503586 VRIUOZJZJIPIQJ-INIZCTEOSA-N 460.584 6.034 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OC)cc2)c1 32750504 YGIROSNEEDUHER-UHFFFAOYSA-N 485.005 5.002 30 20 JKED COc1cc([C@@H](C#N)NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc(OC)c1OC 110567796 MHZLULCRVNJPEH-QFQXNSOFSA-N 497.016 5.569 30 20 JKED Cc1ccc(-n2c(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)nnc2-c2ccncc2)cc1 115414563 DRQZFSCUEGOPKX-UHFFFAOYSA-N 474.977 5.284 30 20 JKED CSc1nc(C2CC2)cc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)c1C#N 116790201 OTAHQZVZPZAPBZ-UHFFFAOYSA-N 457.559 5.127 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)CC2)nc1 195578306 IQEXSCBSYRAPFN-UHFFFAOYSA-N 451.766 5.091 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)cc2)c1 303186080 LOLIDRSASNZDHG-UHFFFAOYSA-N 457.530 5.505 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ncccn2)no1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 303229738 XVPVIYUOFZZTGP-UHFFFAOYSA-N 487.372 5.109 30 20 JKED CCc1cccc2c(C3CCN(C(=O)CCC(=O)N(CCC#N)c4ccccc4)CC3)c[nH]c12 303288396 APAFKEDTFYDXEF-UHFFFAOYSA-N 456.590 5.163 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)c2)cc1 480176786 ANKKZSJGPIEVST-XMMPIXPASA-N 455.514 5.429 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)ccn2)cc1 482258243 MFNOCRSDVUPLMQ-UHFFFAOYSA-N 458.562 5.512 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccn(-c4ccc(F)cc4)n3)s2)c(C(F)(F)F)c1 487385169 KCSHYFVSJUKUEP-UHFFFAOYSA-N 471.439 5.201 30 20 JKED O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 495269495 KQLGNFYISFWXRH-UHFFFAOYSA-N 483.290 6.061 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 499546542 RHPYSUPNXQRKKV-DEOSSOPVSA-N 474.992 5.799 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 501164078 SMROFZXMUFRBBS-UHFFFAOYSA-N 473.935 6.480 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)o2)cc1 501433307 GLWRENOTQOKTBE-UHFFFAOYSA-N 486.553 5.121 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1 503266775 RHELEXPQKDDFSU-UHFFFAOYSA-N 454.574 5.062 30 20 JKED C=CCn1c(SCC(=O)N2CCN(C)Cc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 504840554 STIVPRJWMIYQBW-UHFFFAOYSA-N 488.444 5.009 30 20 JKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1nnn(-c2ccccc2F)c1C(F)(F)F 508902652 WTUGHKYXYJXASQ-UHFFFAOYSA-N 452.717 5.350 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1Cl 510007705 WPFDQIXARJXUPU-GGAORHGYSA-N 481.021 5.252 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 510242574 PPAKLXPQCCXQSW-UHFFFAOYSA-N 450.466 5.305 30 20 JKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511438567 MNYPSPNNIXQEKE-UHFFFAOYSA-N 469.463 5.894 30 20 JKED C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 514137350 FLHPBFFBLKRXII-FGZHOGPDSA-N 450.602 5.167 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(Cc3ccco3)c3ccccc3C#N)cc2)cc1 514452047 NRHVPDGIZNSDJA-UHFFFAOYSA-N 470.550 5.281 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)s3)n2)cc1 516270463 ZMNXBXQCCUHMFM-MRXNPFEDSA-N 468.588 6.510 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1cccnc1Oc1cccc(F)c1 516743740 HTMOLQSJKUIPJF-UHFFFAOYSA-N 496.498 5.240 30 20 JKED CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cc1 517129214 KAYNYLHEZFHREJ-UHFFFAOYSA-N 497.473 5.365 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)n2)cc1 517800695 BOYDIGWJUIZQBT-QGZVFWFLSA-N 479.359 5.461 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)n1 518670892 OPUZWRLKSHQNCU-HNNXBMFYSA-N 470.963 5.172 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(OCc2cccnc2)cc1 519988318 NFTQSYSMKUPTNX-FQEVSTJZSA-N 464.525 6.207 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 520191634 KQIOCRSYQDAZLL-RVCZSYGISA-N 481.621 5.433 30 20 JKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 520443329 GQOWKMCHWVWMFG-UHFFFAOYSA-N 469.545 5.117 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 520954580 PBNDLDXOVVCCEW-UHFFFAOYSA-N 465.550 5.336 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)c(C)c1 521795781 WVVCLXKFCPARIH-HXUWFJFHSA-N 454.580 6.221 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)c1cccc(C(F)(F)F)c1 524260194 TXFBMLHAJLWQCO-LJQANCHMSA-N 461.484 5.206 30 20 JKED CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)c1 524383147 QSQUMESPUKHBID-UHFFFAOYSA-N 499.539 5.407 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 524572836 XIKILOXYHBLIKR-NRFANRHFSA-N 469.511 5.124 30 20 JKED N#CCc1ccc(OC[C@@H](O)CNC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 567457328 HZCJTZOKPGGBEE-RDPSFJRHSA-N 459.977 5.049 30 20 JKED C=CCOc1ccccc1CN(C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc2c(c1)OCCO2 577012508 BXCZOBCSMJZWEF-WWJCJQDFSA-N 489.612 5.277 30 20 JKED CS(=O)(=O)Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2ccccc12 588349021 OOBBDULHAWGPOV-INIZCTEOSA-N 470.959 5.244 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@H]2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 588704430 VVLBKTYIVOAMBC-UNMCSNQZSA-N 456.011 5.332 30 20 JKED CN(CC(F)(F)F)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 589309970 YAKVAOSXMKFEFC-UHFFFAOYSA-N 459.312 5.033 30 20 JKED Cc1ccc(-c2csc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)s1 603586515 RIULQXDZDADGAR-UHFFFAOYSA-N 465.560 5.155 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)c1 603831290 PFRCQGPZQIXYDZ-HZPDHXFCSA-N 498.427 5.842 30 20 JKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)n2)cc1 603995997 YRLUGENDMWWKRX-UHFFFAOYSA-N 479.540 5.555 30 20 JKED CN(Cc1cccc(Br)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604085218 WSRCYISBSKKTQT-UHFFFAOYSA-N 474.409 5.128 30 20 JKED COc1ccccc1[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCCCC1 604181279 AZXBFXGZARWFNN-SANMLTNESA-N 485.653 5.816 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 604230117 SBXFCMVRCDQSQI-UHFFFAOYSA-N 474.565 5.231 30 20 JKED Cc1csc(-c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2)n1 608820516 WPONYIRDEMMQEF-UHFFFAOYSA-N 458.503 5.056 30 20 JKED N#Cc1cc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)ccc1OCC(F)(F)F 608840516 JFWFNRIFPXYXBW-HNNXBMFYSA-N 489.429 5.100 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3oc4ccccc4c3COc3ccccc3Cl)CC2)nc1 608950766 WIPMSGQLVRQUDQ-UHFFFAOYSA-N 486.959 5.331 30 20 JKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c([N+](=O)[O-])cc1OC(F)F 609061584 QADLGRUWMHOSBV-UHFFFAOYSA-N 483.427 5.216 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)no1 609079897 NONMJPHXEIOLAN-UHFFFAOYSA-N 480.568 6.197 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)[C@H](C#N)c1ccc2ccccc2n1)C1CCCCC1 613290699 KHLWSMVMIGHDHU-JOCHJYFZSA-N 457.599 5.608 30 20 JKED N#C[C@@H](C(=O)c1sccc1Br)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347000 UUDFELTVWUFFAI-JTQLQIEISA-N 458.189 6.431 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccc2C)n1Cc1ccco1 621294207 WIRLIJROWAGFID-IBGZPJMESA-N 478.643 5.652 30 20 JKED O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518242 YYTVGRYNUYHWRE-MSOLQXFVSA-N 499.373 6.360 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 626587903 XRDJKACAURENQY-UHFFFAOYSA-N 456.521 5.853 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(SC(C)(C)C)cc3C)nnc12 725760192 ZUNDJYFFQCRVMC-UHFFFAOYSA-N 493.658 5.160 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726319669 MSBMTINXZDVVKN-VHYCJAOWSA-N 465.638 5.104 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2ccc(Cl)s2)cc1 726409973 FRZCAYIJIAGFIF-IBGZPJMESA-N 492.066 5.032 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC(C)C)cc1 726416004 QPZGCYGZPYJMOV-FQEVSTJZSA-N 475.998 5.116 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCc2ccccc2)C1=O 726421315 MDDNONBGCWBWPW-YSEZWBPPSA-N 493.654 5.389 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)C2=C(C)/C(=C(/O)OCC)N=C2C)[n+]2ccc(CC)cc2)c1 726572705 KKKSBHXPNFEWSI-UHFFFAOYSA-O 474.606 5.239 30 20 JKED C=CCOc1c(Br)cc(/C=C2\SC(=S)N([C@@H](C)c3cccs3)C2=O)cc1OC 726630204 UPPFICQANPCRIW-UEMWTREESA-N 496.473 6.046 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)Nc1ccc2c(c1)OCCCO2 727417508 GOZJLPDBGSWKKK-UHFFFAOYSA-O 492.621 5.015 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1=S 727431962 YQBLOWTZTDDRDZ-OAQYLSRUSA-N 491.444 5.613 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 727592002 JNTRWEIKFJMRBF-UHFFFAOYSA-N 475.637 5.453 30 20 JKED CC(C)[C@H](NC(=O)c1ccccn1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 727627296 MHKKKOYYCLXKBZ-KXBFYZLASA-N 473.385 5.143 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 728412803 WQGNRBROUGYBDJ-QGZVFWFLSA-N 484.261 5.100 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccsc2)c1 728422349 AKTIMSAGPMGDFJ-NRFANRHFSA-N 460.584 5.089 30 20 JKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 729552773 KGLRWMMQSIVRAC-SSEXGKCCSA-N 491.591 6.594 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 729634694 RCEQUXVDIXTAQL-VWLOTQADSA-N 480.593 5.704 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 729634729 RVSQRHFYKJOFLR-DEOSSOPVSA-N 490.604 5.813 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c1 729781340 VASPUXIMULNUFE-QFIPXVFZSA-N 483.568 5.072 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 729888764 OAMIOMLRRKCFSQ-XLIONFOSSA-N 473.932 5.173 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1OC 729889615 SVYZNEGUKFPKIZ-LLVKDONJSA-N 483.760 5.840 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(CC)c1 730529096 KBIFDCPQWAGHPL-IBGZPJMESA-N 461.509 5.414 30 20 JKED C[C@@H](OC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)N(CCC#N)c1ccccc1 730608110 FDLHOLCUORACKX-OAHLLOKOSA-N 475.492 5.126 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730713728 PXKXDYXDFGJDCI-OAQYLSRUSA-N 482.993 5.414 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943343 CXWZLQDEONZBLJ-CYFREDJKSA-N 488.613 5.510 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 731060351 UCTILSHCSUVRSJ-LJQANCHMSA-N 481.577 6.092 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccnc1Nc1ccccc1F 731064672 UGEDYONHFMLCQQ-INIZCTEOSA-N 464.522 5.154 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)c1 731305619 FEBDTWBPQWDZIO-DEOSSOPVSA-N 484.581 5.041 30 20 JKED Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1NC(=O)c1ccncc1 743870373 NRRLQZKNVHMFCL-UHFFFAOYSA-N 482.927 6.212 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CNC(C)(C)c2ccc(Br)cc2)c1=S 747789487 BYUXJALALYRSQH-UHFFFAOYSA-N 473.440 5.521 30 20 JKED O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F 748033621 MDXOVAMYWAXLQR-UHFFFAOYSA-N 491.432 5.679 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1OC 759414372 XQDJAFWWBSBXPY-BENRWUELSA-N 463.361 5.067 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1c(C)cccc1C 799211562 RUMGFNOANXBFNW-KRWDZBQOSA-N 460.386 5.204 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2ccc(N3CCCCC3)cc2)no1 904619205 ZRLSUWGCZFOEQO-UHFFFAOYSA-N 483.366 5.339 30 20 JKED O=[N+]([O-])c1cccc(-c2ccc(C=Nn3c(S)nnc3SCc3ccccc3)s2)c1 912801499 YWFWCWPEGXYGCX-UHFFFAOYSA-N 453.574 5.378 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1CCCC(C)C 914557653 RNGSPIDMVREUAC-JOCHJYFZSA-N 469.607 5.100 30 20 JKED CCOC(=O)CCc1c(C)c(C=Nn2cnnc2SCc2ccc(Cl)cc2)c2ccccn12 915955752 JELQZIFAQLNESZ-UHFFFAOYSA-N 482.009 5.163 30 20 JKED COc1cc(C=NNc2cccc3ncccc23)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 915964513 BDFYQLIIEJVJPA-UHFFFAOYSA-N 494.473 5.726 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C)cc2)c1 916205775 LNAVRHRMHNTMNL-DEOSSOPVSA-N 489.597 5.173 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C[C@H]2CCCO2)cc1 916212652 OYIPHRGUNAWICF-QPPBQGQZSA-N 473.598 5.288 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 916904152 XLMKGAZXFVAVIK-XMMPIXPASA-N 478.552 5.798 30 20 JKED N#C[C@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 916908239 GELAPNYESHWETM-XXBNENTESA-N 469.393 6.164 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1c(C)[nH]c2ccc(Br)cc12 916909730 UATVMDBZGMNLMP-FQEVSTJZSA-N 466.379 5.254 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc12 916927194 FTGMQYWJVSEZNI-INIZCTEOSA-N 487.343 5.803 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1Cl 916937616 IARDZOCGNJBPKQ-LBPRGKRZSA-N 453.734 5.831 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)cc1 916942029 DKBLIFZWCIBHGM-CYBMUJFWSA-N 461.326 5.346 30 20 JKED N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc2ccccc2n1C(F)F 917040304 KRIGMTLDRYBDBW-KRWDZBQOSA-N 451.860 6.007 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 917531913 HZQYPHQAWYLYDA-UHFFFAOYSA-N 467.404 5.340 30 20 JKED CCOC(=O)Cc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917560507 OWZZQOPKENTJGE-JLHYYAGUSA-N 468.962 5.483 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccsc2)C1=O 917681349 OFHZUOUTMJRTIL-HXUWFJFHSA-N 486.018 5.571 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@H](C)c2ccccn2)C1=O 917697809 PSYWXDLQLIJHIS-UTKZUKDTSA-N 452.624 5.157 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)CCc2ccc(F)cc2)ccc1Cl 919823018 ARJUTMLPVRIMTN-UHFFFAOYSA-N 486.996 5.175 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)c1=S 920305726 OFGKXYDNDXQBDZ-INIZCTEOSA-N 459.541 5.864 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920353550 MNJXONZYXLSHON-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3F)n2)n(-c2cccc(F)c2)c1C 920730079 YSFCXNZGFHXCGI-UHFFFAOYSA-N 492.507 5.163 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)n(Cc2ccco2)c1C 920772046 JBDVLQGIDBFEFH-UHFFFAOYSA-N 469.497 5.206 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnc1-c1cccs1 920805667 FESUSFJPILOCCW-LBPRGKRZSA-N 487.582 5.397 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1C 920892890 SBQZDLWBRQRUIO-VQTJNVASSA-N 484.556 5.250 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cnn(-c3ccc(F)cc3)c2C)cs1 920991133 ATCKTGDISASFFQ-GHXNOFRVSA-N 464.497 5.496 30 20 JKED C=CCCO[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 921164984 DZHNQTGZPPOCOP-HNNXBMFYSA-N 470.563 5.030 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1786678871 FIKKYROJRTYZQR-UHFFFAOYSA-N 457.599 5.416 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3occc3C)cc2)CCC1 1788692316 JKAGHFYRBCZBBV-JOCHJYFZSA-N 493.604 5.033 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789507547 HQFQPUNFQZNFAM-UHFFFAOYSA-N 498.740 5.684 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)cc3)CCC2)c1 1789531438 DWNDEGCDMDRGGH-DSITVLBTSA-N 465.578 5.194 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)cc2)CCC1 1790033677 NFFOZUZDXUEDEV-QFIPXVFZSA-N 491.591 5.392 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCCC4(F)F)CCC3)cc2)c(C#N)c1 1790472505 NSBMTKAKSMYULN-HSZRJFAPSA-N 481.543 5.069 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1790509347 YVSBIZXCWBAUHE-UHFFFAOYSA-N 498.004 5.207 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)CCC2)cc1 1790567661 OLRRLCZQRDEYOL-GOSISDBHSA-N 493.007 5.745 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCNc3ccc(C)cc3C)CCC2)cc1 1790568452 YXHMBRNZNKPCBU-OAQYLSRUSA-N 464.610 5.040 30 20 JKED COc1c(Cl)ccnc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767983 VQERBNBOVWLECD-UHFFFAOYSA-N 495.366 5.330 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1 1790836159 RJGRWFQGSNZWCV-SAPNQHFASA-N 479.540 5.187 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791590003 LFUOJWODYQEZHJ-XYWHTSSQSA-N 469.626 5.170 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4onc5ccccc45)CCC3)cc2)c1 1792127449 YYTNSTGAMTXSFX-SFHVURJKSA-N 464.525 5.516 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)cc2C(F)(F)F)C3)c1 1792942306 ZTXZZLLWWBHRKI-ACDBMABISA-N 489.925 5.115 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc2ccccc2c1 1796514895 QNECBZJNNKYINU-OOSCYNTBSA-N 465.597 5.347 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2ccccc2c1 1796722298 WBELIGRIYVUHSI-QLIIJSOBSA-N 455.396 5.066 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cc[nH]c2c1)c1ccc(C#Cc2ccccc2)cc1 1797335826 XSSDOOWEWCGFCU-OUOZDZGXSA-N 473.576 5.133 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2[nH]ccc2s1)c1ccc(C#Cc2ccccc2)cc1 1797667753 UHRKIOYBBKAWKG-BKFWDETESA-N 479.605 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Cc1cccc(Br)c1)C2 1798337974 ZPYIXZQGHDLGQQ-GBCNUAAFSA-N 473.455 5.034 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2[nH]c3ccoc3c2-c2ccccc2)cc1 1799117808 ZKKKXHBFNWOPOA-NUNAXRQHSA-N 478.552 5.060 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(Cl)c2)c1 1799623747 HJAIQOJGCSSJQT-GAZPGATBSA-N 456.373 5.186 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)C2)C(F)(F)F 1801701232 KJDQBZZOGICLDS-KOUNCHBCSA-N 479.502 5.272 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)nc2)[C@H]1c1cccnc1 1802345666 VPPDJNOUBGQCAO-ZJSXRUAMSA-N 462.638 5.086 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/Sc1ccc(C)cc1)C2)c1ccc(O)cc1 1802423872 FQHHWQYIAQQORK-BMDGMCHFSA-N 488.653 5.142 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1803088132 HMEJIYZYCYSJCP-QJUKJETASA-N 475.658 5.470 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 1804051290 WDPDDBPPFDHNMB-KAOXLYBCSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807836484 VBAFDTZKQCZZFH-NAKRPHOHSA-N 496.655 5.764 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808544370 TXWJKSVTGATRET-INNMJMHTSA-N 480.612 5.232 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)[C@H]1c1cccnc1 1810272444 OICHLAVJHPVYHM-LSYYVWMOSA-N 498.703 5.001 30 20 JKED N#Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C5CC5)cc4)CC3)C2)c(C(F)(F)F)n1 1810345408 HOUHYHURPZGEEX-UHFFFAOYSA-N 496.533 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)oc3cc(O)ccc23)[C@H]1c1cccnc1 1810500202 MNSRNJJOKVAINF-CPJSRVTESA-N 475.589 5.154 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1810500425 PRTDBNGGBORYDB-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810531472 LQUISZAOADVKTE-UKILVPOCSA-N 479.690 5.489 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)sc3Cl)[C@@H]2c2cccnc2)c1 1811105521 RSLPCOWBUBDWDE-UTKZUKDTSA-N 499.423 5.263 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1811164054 VJUBAEUHYMSFNJ-NAKRPHOHSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1811185998 JTMGXPDUDNFKRT-VPUSJEBWSA-N 488.676 5.384 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1811230986 NULKUFKZAKHPCY-UKILVPOCSA-N 477.649 5.571 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1812791854 JBUQBRNFENVIPG-RFEOYDEGSA-N 493.051 5.389 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC(F)(F)C3)n[nH]2)cc(C(F)(F)F)c1 1814388888 JXRTZVTXHQIESS-RDTXWAMCSA-N 495.452 5.041 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c1 1814739706 BLXLQYCZJCIRMY-RUZDIDTESA-N 467.573 5.097 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#Cc2ccc(Cl)cc2)n[nH]1 1814743791 SAHXVTZQLOMRST-GGJDQLKOSA-N 476.964 5.112 30 20 JKED CC#CC[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4nc(C)ccc4o3)sc2C1)c1ccccc1 1815868002 YSQDYZPUZUCJPI-PMACEKPBSA-N 498.608 5.016 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccccc3Cl)n[nH]2)c1Cl 1816902355 HKTVVKQKKWKUET-HXUWFJFHSA-N 482.371 5.137 30 20 JKED Cc1snc2sc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)cc12 1817830800 GJDXXKVLCPBISH-LJQANCHMSA-N 490.614 5.075 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCC2)[nH]n1 1818117548 XDRFTFLZPKCALT-IWGBCORSSA-N 488.613 5.024 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1ccoc1C(F)(F)F 1818209790 ZWBATAIMVJGRCM-GOSISDBHSA-N 490.869 5.033 30 20 JKED Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc([C@H](C)C#N)c2)CC3)oc2ccccc12 1818215891 DYMCGMMPBBJWDH-BEFAXECRSA-N 484.581 5.364 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cn(C)cc3C(F)(F)F)n[nH]2)c1 1818346892 KSEMMUFPLKEWFR-QVKFZJNVSA-N 498.509 5.014 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cn(C)cc3C(F)(F)F)n[nH]2)c1 1818346894 KSEMMUFPLKEWFR-YCRPNKLZSA-N 498.509 5.014 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(-c3ccccc3)n2)n[nH]1 1818362935 QFUFAQQCURUVHV-GOSISDBHSA-N 471.533 5.051 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818605572 OAZKULABOYCGQN-YOEHRIQHSA-N 472.998 5.175 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3nc(C)ccc3c2)n[nH]1 1818675466 XBUFMRUULYTTHS-XUZZJYLKSA-N 457.578 5.341 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)[nH]n1 1819555841 FNNOMOYVAPQZHT-FQEVSTJZSA-N 473.017 5.299 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c(C)c1 1820221219 QLLRZTDIYFVBQY-OAQYLSRUSA-N 491.979 5.180 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c(F)c1F 1820224017 VVYPUJWHRUYFLG-SFHVURJKSA-N 483.906 5.141 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc3cccnc3cc2F)n[nH]1 1820839310 XGCTYPCQZBEJOV-QHCPKHFHSA-N 477.584 5.324 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)c(F)cc3F)n[nH]2)c1 1821067148 ALNBIQFUQNJUFF-PEBXRYMYSA-N 481.478 5.074 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(Br)c3)n[nH]2)C1 1821108526 VMHDCGONMHTHEO-SFHVURJKSA-N 477.790 5.098 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c(Cl)c1 1821279476 COFCXNRIBCIRQI-OBUYZQBDSA-N 465.985 5.067 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCCCC3)[nH]n2)cc(C(F)(F)F)c1 1821308863 KVBHLUXUJJVKBC-FQEVSTJZSA-N 473.499 5.186 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)[nH]n2)c1 1821325006 OUCSXBIIKQUOHX-JOCHJYFZSA-N 486.963 5.344 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1)c1ccc(O)cc1 1822468141 LHGAHBPDXVEMDH-GNMGOMLTSA-N 488.563 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc(Cl)c2)CC1 1823980267 PIIVSWSQCJBDHG-XMMPIXPASA-N 459.030 5.107 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2C)CC1 1824762837 RKEPSWLJIYTRRJ-RPBOFIJWSA-N 497.680 5.006 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1824808185 AVDCLWXSGCMBOD-AMGIVPHBSA-N 487.644 5.107 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827777959 RCOQMJGQQVTOPE-AZUAARDMSA-N 452.517 5.300 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)CC1)c1ccccc1 1827926910 RITDYAZVWNANFX-URLMMPGGSA-N 485.672 5.383 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1828422139 NZIBEGHSNRVPOL-QDPGVEIFSA-N 478.677 5.004 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828423105 YTRRZIXUINMMAU-LGVFNWMJSA-N 454.577 5.292 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828602175 VMPNCXVUSKRGKM-DENIHFKCSA-N 462.656 5.228 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 1828903985 QNQIETGSMWXAKX-AHWVRZQESA-N 470.705 5.368 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829233221 TZFRWMASGDOITL-FPOVZHCZSA-N 464.437 5.390 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)n2)CC1 1829243254 ODPCBZHGKCVBOW-CTNGQTDRSA-N 463.544 5.102 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829646836 CWMWKINHEWBGNL-LRDDRELGSA-N 480.955 5.050 30 20 JKED Cc1cc(F)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689854 UHPMSLMYUGMPLI-HSZRJFAPSA-N 467.972 5.206 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccncc34)CC2)c1Cl 1829689996 XVJCJIQZKWDUKZ-VWLOTQADSA-N 487.003 5.307 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c1Cl 1829690247 SLYAKJKSQIVFLJ-QFIPXVFZSA-N 493.032 5.368 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cccc2F)CC1)c1ccc(O)cc1 1829892591 UYAYSSQBDKPDCS-ATIYNZHBSA-N 494.582 5.101 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830359129 NOHWPOMQDGQLBS-UGOOHZPOSA-N 479.621 5.025 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)c(Cl)c1 1830722018 YXBWHOOFPIVLDG-JOCHJYFZSA-N 481.021 5.302 30 20 JKED C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)Oc1ccccc1 1830722951 ADAYAHQIJJAIQP-RXFWQSSRSA-N 494.035 5.303 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)cc2s1 1830890384 ZVIIUIRVROTQRR-HSZRJFAPSA-N 478.593 5.096 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)CC1 1831229428 FVUPYOLVFNOXSP-NVQXNPDNSA-N 452.639 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1831737980 XUPQCSIXHXHIHF-XMMPIXPASA-N 484.681 5.249 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCCC2)CC1 1831790391 IWCDDCYDNIGZGA-PKTZIBPZSA-N 489.701 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccsc3)CC2)c1 1832629730 BUHPCQLACFIEBR-CJFMBICVSA-N 463.647 5.241 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 1832630701 LOMSQMCMPRIMJT-DTCUCFNRSA-N 455.602 5.260 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCOc3ccccc3)CC2)c1 1832635287 YYZXBGIPBUKPNS-AMGIVPHBSA-N 473.617 5.016 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cc3cccc(F)c3)cc2)CC1 1832733013 CULDTOPDBFSJRE-MHZLTWQESA-N 460.593 5.063 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1 1832785088 GNUHBBOJVFOKHG-OAQYLSRUSA-N 462.421 5.229 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1838750625 PBIRIGXXMSLPKF-INIZCTEOSA-N 467.437 5.126 30 20 JKED COc1ccc(C)cc1-n1c(SCC(=O)Nc2sccc2C#N)nc2cc(Cl)ccc2c1=O 9415374 KGYPAIMJDHSDRF-UHFFFAOYSA-N 497.001 5.020 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179500 JPUMLUIYJFAEJR-UHFFFAOYSA-O 453.971 5.012 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10759615 MGSGLRNINSMSGN-UHFFFAOYSA-O 485.048 6.181 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 11250181 FJDWHEUKQRWTNQ-UHFFFAOYSA-O 487.595 6.456 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18521557 MHGVFKKSPBEJQR-OAHLLOKOSA-N 465.600 5.125 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 22122267 UJPUCDYPENRVSQ-GOSISDBHSA-N 480.037 5.470 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22729856 PBDKNJONPWNRKF-UHFFFAOYSA-O 481.641 6.241 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)N(CCC#N)c1ccc(F)cc1 23210647 QAEFXBLZJGYDMX-KRWDZBQOSA-N 490.535 5.091 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nc2ccccc2c1=O 24852509 GDGUORMZXYVLDV-UHFFFAOYSA-N 466.563 5.155 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 29205045 PLFDTPMSSVVISF-ZJSXRUAMSA-N 474.586 5.097 30 20 JKED C[C@@H](CC(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(C(F)(F)F)cc1 195652760 AZVSFYOQOZJQHK-LRDDRELGSA-N 459.493 5.252 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)nc2ccccc21 303095261 FLDPUTCZQVSOHR-SANMLTNESA-N 465.557 6.398 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 303151860 GCVUUTRABHFWSL-UHFFFAOYSA-N 461.880 6.146 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 303250948 CBVJGIUVLHNMDZ-MRXNPFEDSA-N 460.584 5.872 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 303280413 UITYERJMGCQBLT-UHFFFAOYSA-N 457.456 5.191 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-n3cccn3)c2)c1 480038127 HZXZLUTVZKFFEM-UHFFFAOYSA-N 492.988 5.159 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCC3(c4ccc(Cl)cc4)CCC3)cc2F)c1 481276641 CBOSZMMYOBKQDG-UHFFFAOYSA-N 491.950 5.106 30 20 JKED Cc1nc(SCC(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c(C#N)c(C)c1C 483213325 LWBZMHGSKSJCAE-LJQANCHMSA-N 490.604 5.168 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 490432085 OWACIRYGOLKCIF-UHFFFAOYSA-N 453.477 5.005 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1ccc(C(F)(F)F)cn1 502717053 VQOQDZNTFZTDOL-QFIPXVFZSA-N 497.480 6.050 30 20 JKED CCCOc1ccc(-c2nc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)cc1 504063017 VVJBVGKWGWYGHL-UHFFFAOYSA-N 493.639 5.867 30 20 JKED COc1cc(C)c(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 508244122 VCIXQAJVVPEVQM-UHFFFAOYSA-N 461.518 5.349 30 20 JKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509562674 YGBCBGZASCEUAX-UHFFFAOYSA-N 458.518 5.682 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509914759 UXMMBRCPFPERBA-HHHXNRCGSA-N 485.584 5.553 30 20 JKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511316878 WAJIKNDWMPWFOI-HXUWFJFHSA-N 470.573 5.182 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511460390 SLZQACDOUJFNLV-SANMLTNESA-N 468.557 5.968 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513687225 OEEUJJBDJRKINH-INIZCTEOSA-N 478.574 5.261 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 515652875 YFPLVRBTQSJUMZ-UHFFFAOYSA-N 484.506 5.537 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1OCc1ccccc1 516713647 DYHXVDBMBZPDAY-JOCHJYFZSA-N 495.560 5.768 30 20 JKED CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C)c1ccc(F)cc1 517180013 PBHULVWOUPSIJS-NSHDSACASA-N 450.354 5.412 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H](OCCC)CC2)nnc1-c1ccc(Cl)cc1Cl 517456666 OKDXCDBOGMSPDH-QGZVFWFLSA-N 483.465 5.338 30 20 JKED N#CCCCOc1cccc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1 518061861 LRYXWLZQVVQBQT-UHFFFAOYSA-N 462.394 5.498 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OCC(C)C 520005680 RTJLTPUVRWEJBS-IBGZPJMESA-N 487.556 5.210 30 20 JKED C[C@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 520426038 SIYPQHPAHJKVDB-DNVCBOLYSA-N 467.903 5.432 30 20 JKED C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 521223605 HHTPTGKNFDGKPN-OLILMLBXSA-N 486.575 5.411 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCO[C@@H](c2cccc(F)c2)C1 524053447 GZPWGPORYILXDQ-GOSISDBHSA-N 487.375 5.263 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1 524480817 UCXZKQKMFNHCSD-JOCHJYFZSA-N 496.032 5.048 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 561209540 JMBBNAGLACMGAR-HNNXBMFYSA-N 476.583 5.063 30 20 JKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 588951778 GDQYLFMZWQIOOD-UWVGGRQHSA-N 490.326 5.786 30 20 JKED Cn1c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nc2scc(-c3ccccc3Cl)c2c1=O 589699736 JIOXPILCDNWJGK-LJQANCHMSA-N 493.013 5.085 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)cc1 594651463 BDZXMDPJYFELOI-DGPQKAOFSA-N 481.571 5.472 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2)C[C@H](C)O1 603992523 XZIOKKUJHABFKP-ROUUACIJSA-N 457.599 5.247 30 20 JKED COc1ccc(-n2nnc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c2C)cc1 604027120 GVDWYFHHDOGBJZ-UHFFFAOYSA-N 459.893 5.154 30 20 JKED COc1cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 604532163 BTMYAISGBCIXOP-GHMZBOCLSA-N 498.342 5.544 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)cn2)cc1 604541342 APBKLBROYWRGMO-UHFFFAOYSA-N 464.510 5.307 30 20 JKED CC(C)C[C@@H](C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 608822135 GQBWNPFVQHLSAF-SFHVURJKSA-N 488.444 5.447 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cc1 608850891 MTBUCEZSVJYBEW-UHFFFAOYSA-N 452.963 5.014 30 20 JKED CC(C)(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(C(F)(F)F)c1 608895711 IYEPLYIFZUAVHY-UHFFFAOYSA-N 462.522 5.637 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)c3nc4ccccc4[nH]3)o2)cc1 609058435 RYTWKRYFOALNLN-VWLOTQADSA-N 478.508 5.026 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C 609061441 CDVPUACCYQRHCW-UHFFFAOYSA-N 450.542 5.429 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c1 609066327 DAWSTUWCNQMIES-UHFFFAOYSA-N 453.392 5.483 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 609083345 LNHZEHUGFRWTTH-UHFFFAOYSA-N 450.420 5.405 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 609085808 XRHAWVTVCWIVJW-QRQCRPRQSA-N 483.540 5.579 30 20 JKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Br)c1 609105275 SXIGKJNJGATPNI-UHFFFAOYSA-N 455.283 5.300 30 20 JKED COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)C2 609137447 ABNFFYTXUIBRAO-UHFFFAOYSA-N 461.949 5.780 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609176573 NQOUQFWAYNCQAL-UHFFFAOYSA-N 456.527 5.895 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 609439671 VGAIVQKBLKCRBX-OALUTQOASA-N 459.571 5.689 30 20 JKED N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1nc2ccccc2n1C(F)F 613403303 FMNRZNSAQWRTMJ-SFHVURJKSA-N 472.426 6.383 30 20 JKED N#C[C@@H](C(=O)c1cc(Br)c2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 623584337 MPUZTXBOFPTOHM-NSHDSACASA-N 483.265 5.339 30 20 JKED C=CCN(C(=O)c1cccc(-n2cnnn2)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891452 LISXOVKXUBRRJF-UHFFFAOYSA-N 464.554 5.286 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2ccccc2F)n1 642252643 MZYHHOXGSPVCTA-UHFFFAOYSA-N 479.606 5.627 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 645079443 IIDSIOSWGZERPC-WOCWXWTJSA-N 463.047 5.118 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(Cl)c2)cc1 726572340 ZFIWHXKWEDHMDE-UHFFFAOYSA-O 469.417 6.428 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 726572425 DPTGUJWIFAGOFE-UHFFFAOYSA-O 453.631 6.281 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 726572985 UCFPPAYGGQLPMV-UHFFFAOYSA-O 477.609 5.878 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sccc1NC(=O)c1ccncc1 726937710 GNZUPSBWCIWPOO-UHFFFAOYSA-N 455.499 5.015 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 728062419 NLRDEOVFVVGRSB-FQEVSTJZSA-N 470.573 5.058 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 728186345 XSCMWHQJFBSHNK-UHFFFAOYSA-N 480.486 5.365 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 728390404 KJEBGASDVCSDLL-AOMKIAJQSA-N 458.949 5.397 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)cc1 728767093 UYIPVMKLAUHZNY-OAQYLSRUSA-N 463.465 5.626 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1C 728776933 VPGGNJZPKQDQHR-NRFANRHFSA-N 469.010 5.611 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 729401820 VNGSCDFRSOXLQX-UHFFFAOYSA-N 459.571 6.450 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ncccc3C)C2=O)c1 729633335 CWXPNRMCOTYDJV-QHCPKHFHSA-N 493.032 5.821 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCC3)C2=O)cc1 730460240 VNRSNQBABBMHPB-HXUWFJFHSA-N 489.544 5.200 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCC2)c1 730554995 MDEQYDIZNLRYOS-UHFFFAOYSA-N 472.916 5.022 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cocn3)C2=O)cc1 730717494 NOIUAXCPEUXADQ-NRFANRHFSA-N 498.992 5.277 30 20 JKED C[C@H](OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)Nc1ccc(C#N)c(Cl)c1 730858160 PGMFDLQOODPGGO-NSHDSACASA-N 463.799 5.069 30 20 JKED C#CCOc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)c1 730975767 NOWDTICQUHXQEA-UHFFFAOYSA-N 463.331 5.274 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCCOc2ccc(Br)cc2)cc1Cl 731287219 AHYKERDKQKICPN-KRWDZBQOSA-N 479.758 5.008 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731304779 AWIGWZLIGLCJJI-LJQANCHMSA-N 471.991 5.268 30 20 JKED Cc1cc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)c(C)c1 731311411 BBOZLIULAMUXKL-RUZDIDTESA-N 498.608 5.350 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(SC)c(OC)c2)ccc1OCC(=O)Nc1ccccc1Cl 747614332 DTADVHSATYGKLD-DHZHZOJOSA-N 498.000 5.993 30 20 JKED N#Cc1ccc(C(=O)COC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 748579201 JZVGKAPSYJOLKU-DEDYPNTBSA-N 483.505 5.433 30 20 JKED Cc1nc(-c2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)cs1 749210814 IVFXMPDDKWNUPL-UHFFFAOYSA-N 468.582 6.085 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)cc12 768596082 OXSLUYICEDEFJF-QGZVFWFLSA-N 476.533 5.027 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 788295967 GZHSZJYMLUBJCT-OAHLLOKOSA-N 464.930 5.352 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(NN=Cc3cccc4cccnc34)c([N+](=O)[O-])c2)c(C)c1 818200946 JCDFHCIKYLSNIF-UHFFFAOYSA-N 475.530 5.007 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1C 837300035 QQMMBQUVRXUMBX-WMZHIEFXSA-N 458.587 5.420 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 904507082 REPGRLMPBHYAFJ-QGZVFWFLSA-N 460.893 5.771 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(NC(C)=O)c1 913118456 UBBGMEIESBWOPI-OAQYLSRUSA-N 487.025 5.367 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=NNc3ccc(S(C)(=O)=O)cc3)s2)cc1Cl 914835899 RMEMWAMCHRGOHL-UHFFFAOYSA-N 455.392 5.351 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc2ccccc2n1C(F)F 915104613 UHFIRQVURZAWOP-OAHLLOKOSA-N 455.852 5.334 30 20 JKED CC(C)(C)OC(=O)N1CCC(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1 915104918 XFRBOXMJINFTOX-AWEZNQCLSA-N 453.486 5.138 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(OC)c(F)c3)C2=O)c1 915116938 SYTWPPCOEQMFRP-HSZRJFAPSA-N 493.560 5.003 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 915181221 YIWCLEFJTPCJKQ-XMMPIXPASA-N 473.985 6.212 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 916205563 PUQHPCRURHNZCT-HXUWFJFHSA-N 477.989 5.093 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCc2ccccn2)cc1 916213151 ZXMPUUYIDIJUAN-HSZRJFAPSA-N 493.032 5.555 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1C 916216822 ZMTPFZRNNVKIBB-IBGZPJMESA-N 461.509 5.445 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 916217656 UAIQTXOQKZWQFL-HXUWFJFHSA-N 485.396 5.549 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ncnc3sc(C)c(C)c23)cs1 916310448 WOCKKZMHCRZWHI-UHFFFAOYSA-N 450.593 5.512 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc(OCc3ccccc3)cc2)CC1 916881837 ZRMCPUNUMVDKLB-UHFFFAOYSA-N 469.497 5.207 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944457 DXWZGMZLGHNDHD-QGZVFWFLSA-N 494.787 5.952 30 20 JKED N#Cc1ccc(CSCC(=O)OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)cc1 917261744 BDJPDOYUJDVYJN-JOCHJYFZSA-N 499.548 5.052 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 917426931 QPTGRJGBOVLQCD-XZDHIHRUSA-N 460.578 5.100 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2ccc(C#N)cc2)C1=O 917669992 HXQKPLUCYBIJBB-RUZDIDTESA-N 498.608 5.344 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1Cc1cccc(C)n1 917687197 NUTIAMLIHIZHNC-DEOSSOPVSA-N 488.613 5.122 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccco2)C1=O 917704761 MYSPKSQVSRUEEI-QHCPKHFHSA-N 488.569 5.101 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(S(C)(=O)=O)cc1)C(=O)c1ccccc1 918156741 STWIGAIWFSNQRK-MOHJPFBDSA-N 461.583 5.120 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)cc1 918545389 PLSQCRYVZNJAOT-ZUSYLBMNSA-N 498.649 5.047 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCCN(c4ccccc4C#N)CC3)[C@H]2c2cccs2)cc1 918575960 VUSKSAYAAIBMQL-CUBQBAPOSA-N 498.652 5.151 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc3ccccc3o2)c(OC)c1 920116040 XOFVVAFADOPVSY-NRFANRHFSA-N 465.509 5.802 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3Cc3ccccc3)n2)cc1 920140669 AVSCMXOQCNKUFZ-HSZRJFAPSA-N 454.551 5.665 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2ccccc2OCC#N)cs1 920633118 GSXXCRATYTUKBC-UHFFFAOYSA-N 475.448 5.106 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2cccc(OCc3ccccc3C#N)c2)c2ccccc21 920636461 YMXZOAUZZLZRSQ-UHFFFAOYSA-N 463.493 5.045 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920804390 QBJRJOQYQWKLTP-KNQAVFIVSA-N 487.531 5.826 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1=S 921051540 UXRQTZPHNBNTCN-UHFFFAOYSA-N 466.998 5.294 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C 921131490 KDFWTUSLCYDGBO-HNNXBMFYSA-N 458.008 5.919 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(OC)cc4Br)CCC3)cc2)C1 1785804702 SBOFNVKJHXWGOK-UHFFFAOYSA-N 483.406 5.101 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785809201 YEQSWQBXIBRDPL-XZOQPEGZSA-N 481.637 5.170 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1786366891 DNLYTYBLHSEYJM-UHFFFAOYSA-N 454.687 5.154 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnoc4C4CC4)cc3)CCC2)c1Cl 1787597485 WKNGSXKJXXLHCT-UHFFFAOYSA-N 460.921 5.139 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)CCc5ccc(C#N)cc5)CCC4)cc3)cc2n1 1788320789 CRTSSHHOTGJUJO-UHFFFAOYSA-N 478.552 5.388 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cnc5c(Cl)cccn45)cc3)CCC2)cc1 1788385881 INAMFGBBVFIQJL-UHFFFAOYSA-N 497.986 5.240 30 20 JKED CCn1nc(C)cc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1788425727 WFFPFQMUFADXRA-UHFFFAOYSA-N 495.505 5.163 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCC1 1788509213 OQVICUCGEIUSBC-UHFFFAOYSA-N 486.950 5.509 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccnc(OCC(C)C)c3)cc2)CCC1 1788663150 NLZQNIPEDGYLCX-UHFFFAOYSA-N 457.521 5.076 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)c1Cl 1788787626 BAKKMEFMMSZUEH-UHFFFAOYSA-N 498.892 5.687 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccn4cn3)cc2)CCC1 1789095817 OSQZNFSZYHAZHC-UHFFFAOYSA-N 472.665 5.133 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)cc3)CCC2)c1 1789531027 ACQXTBHCEKNLEY-KKUQBAQOSA-N 495.604 5.202 30 20 JKED CC(C)(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc1 1790148508 ZBWNNBBRUCBFBW-UHFFFAOYSA-N 456.546 5.125 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)cc(C(F)(F)F)c1 1790206591 DZTKORGMPWYAFE-UHFFFAOYSA-N 487.865 5.885 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)C[C@H]4OCCc5ccccc54)CCC3)cc2)ccc1F 1790521476 LUWBXNHISQEBBG-HHHXNRCGSA-N 497.570 5.078 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1790566941 FSPFAPKHJYDQKX-MRXNPFEDSA-N 466.969 5.370 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H](c3ccccc3Cl)N(C)C)cc2)CCC1)C(F)(F)F 1791130667 FBXGFZBPSHKTKF-HXUWFJFHSA-N 479.930 5.195 30 20 JKED C[C@H](CC(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1)c1ccccc1 1791340098 UESMDGUYARELMC-OAQYLSRUSA-N 467.569 5.265 30 20 JKED COc1ccccc1CC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1791354417 LIJNPGRMGGKKDW-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(-c2c(F)cccc2F)n1 1794735086 ZDPXUKIMCNWSIN-FCGDIQPGSA-N 483.534 5.186 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3)c1C(F)(F)F)C2 1801637385 DEKYHGIWABMZGL-OWLYRPNTSA-N 494.945 5.009 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(C)c2F)[C@H]1c1cccnc1)c1ccccc1 1802721112 JEDDMQCXOJVDCR-CERRFVOPSA-N 483.587 5.046 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](c2ccccc2)C(C)C)C3)cc1C#N 1803839800 CWRFJFRTAZSDJU-SPGPFUFCSA-N 473.617 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)s2)[C@@H]1c1cccnc1 1804466546 GNHWVFLVEJFZBG-QPPBQGQZSA-N 453.652 5.083 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@]2(F)CCCC=C2F)[C@H]1c1cccnc1)c1ccccc1 1810446656 FXBMXBKWKSUODX-CHIIJNELSA-N 491.582 5.030 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(F)cc2)[C@@H]1c1cccnc1)c1ccccc1 1810448730 XSONPLPWBAGWGI-JNQIMCCTSA-N 497.614 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1810492121 JFAXINLELMLDQR-YWEHKCAJSA-N 485.628 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810930674 VQGKXMAUBLPVGJ-NMNUPHIUSA-N 489.513 5.328 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)sc3Cl)[C@H]2c2cccnc2)c1 1811105519 RSLPCOWBUBDWDE-LAUBAEHRSA-N 499.423 5.263 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1811743371 OFONMZBQEGHJOV-BVAGGSTKSA-N 487.003 5.363 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)c2[nH]1 1811745833 NUMVVWGBYCPUIL-RLWLMLJZSA-N 497.986 5.030 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c(Cl)c1 1811748776 BADYAHQWSDRMOK-YVVZQAGLSA-N 477.008 5.063 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)[nH]n2)C1 1814394002 UVMSWEUUYWCZIY-SANMLTNESA-N 491.595 5.897 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c(F)cccc2Cl)n[nH]1 1814670518 LSCBVXFCRICYED-IERDGZPVSA-N 458.965 5.205 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1)c1ccccc1 1814739027 LOLBVCMLZLVUDK-ZCYQVOJMSA-N 469.589 5.100 30 20 JKED CC[C@H](C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2ccccc2C#N)[nH]n1)c1ccccc1 1816848707 IBXZTHPIDUSWKM-MUXSNRJPSA-N 499.615 5.182 30 20 JKED Cc1ccc2oc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)cc2n1 1817691550 AYIZAQWEUNCREP-FQEVSTJZSA-N 488.935 5.004 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4c(Cl)cccc4s3)n[nH]2)CCC1 1818774991 GGRWMLLCAUKNMT-QGZVFWFLSA-N 467.982 5.278 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1819308828 DWRGPLATJMQTLH-UWJYYQICSA-N 488.991 5.675 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)[nH]n1 1819554749 NIOZYOFYWIGZTA-HTAPYJJXSA-N 454.537 5.312 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1820484865 IVLWEMOHTCTUOL-KRWDZBQOSA-N 461.572 5.177 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)n[nH]1 1820670768 GTKINWUBXFARPX-IBGZPJMESA-N 474.646 5.152 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc3cccnc3cc2F)n[nH]1 1820839215 WZAPFQPEASIINB-DEOSSOPVSA-N 475.568 5.100 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2C)n[nH]1 1821338060 GITAHTKKNCYAHQ-AUUYWEPGSA-N 480.396 5.132 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1821928784 PNRRITMLSCVKFY-KPZWWZAWSA-N 453.345 5.374 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCC2)[nH]n1 1822396719 YYDAICPFDSVATC-OAQYLSRUSA-N 497.437 5.090 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1)c1ccc(O)cc1 1822466755 APNJEBVVDGMDCC-SLSDLSHTSA-N 474.605 5.051 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@]3(C)CC=CCC3)n[nH]2)cc1C#N 1822980697 JSXVYZUQSUCSQV-WXVAWEFUSA-N 475.593 5.121 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC(F)(F)F)[nH]n2)c1 1823212819 WOSMMABSVNZZKN-DNVCBOLYSA-N 461.488 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3occc3Br)[nH]n2)c1 1823213455 XSRGVCILTMJGTH-IFXJQAMLSA-N 496.365 5.012 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)ccc(Cl)c3F)n[nH]2)cc1 1823272505 BQAQKFZHDNWDLP-HXUWFJFHSA-N 497.933 5.152 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)CC1 1823671623 YAMKRCBSUCJLHG-NRFANRHFSA-N 464.437 5.390 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2OC)CC1 1824145117 SHZGOQMYRQIGDX-AREMUKBSSA-N 482.665 5.025 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc5ccoc45)sc3C2)c1 1824259812 YJGWDUVBZPLVKD-BEFAXECRSA-N 470.554 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c(C)c2C(=O)OCC)CC1 1824295603 SPYNJZHPYIXYLI-XMMPIXPASA-N 499.696 5.045 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1827356536 QEFIKWZWEJTCMU-RUZDIDTESA-N 479.571 5.064 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827362793 KKLSPIAFSAFXFS-GDLZYMKVSA-N 493.651 5.939 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1)C(F)(F)F 1828151370 BTTMFDFMEOSFJR-HXUWFJFHSA-N 467.919 5.173 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829784069 BHIZMMKQVGGFJM-NLFFAJNJSA-N 463.597 5.333 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)cc1C#N 1829864810 HZUFMAIEMVWECX-JOCHJYFZSA-N 483.996 5.139 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830014723 CXWVMUXSWSILTK-RUZDIDTESA-N 482.584 5.069 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830053831 CZLLOZWMZGUKGE-LJQANCHMSA-N 458.471 5.150 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830275351 YETXVPXNSCIWAW-URXFXBBRSA-N 468.041 5.437 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)ccc1F 1830360319 KDNKAVQKLPOVBE-SANMLTNESA-N 496.026 5.146 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3F)CC2)c(Cl)c1 1830722239 GJKOAUMTENLWDT-QHCPKHFHSA-N 471.935 5.037 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3Cc4ccccc4C3)CC2)c(Cl)c1 1830725007 XESADOYEGXESQZ-HHHXNRCGSA-N 490.047 5.250 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)c1 1830769465 QDEXGJATYUPZSY-AREMUKBSSA-N 490.554 5.173 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1831371614 WYRWKZMRLTUQBH-RLWLMLJZSA-N 461.650 5.351 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1831371803 LUGRAXXHZWECIB-JTSKRJEESA-N 467.437 5.204 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1831375361 URQXOBRSFYLSBE-GHTZIAJQSA-N 473.614 5.072 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1)C(F)(F)F 1831453539 CNMYLLCRKPKDQA-LJQANCHMSA-N 467.919 5.173 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1831840077 AOPWIAAVICVCLG-AOMKIAJQSA-N 489.479 5.154 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1)c1ccc(O)cc1 1831928583 OJFPKTVNNBZDHQ-BTTKJASGSA-N 499.655 5.007 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1832028370 RIJQNAXRFDUNID-MHZLTWQESA-N 471.645 5.484 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)CC2)c1 1832850002 BWNPNUMYUZQMDC-IDISGSTGSA-N 487.619 5.418 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(O)c1 10174248 XFPLHUIKWCOUSN-UHFFFAOYSA-O 453.587 5.960 30 20 JKED C=CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccc(Br)cc1 21927114 QIQMSIFTWHAHTQ-UHFFFAOYSA-N 487.467 5.071 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 21999044 MFVYOGMOPQIXDI-UHFFFAOYSA-N 471.629 5.107 30 20 JKED COc1cc(C#N)ccc1OC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 22368472 VKRYNWGQKRWAMO-UHFFFAOYSA-N 470.481 5.027 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 25439123 KPWBXKOHVGTWJB-UHFFFAOYSA-N 454.452 5.131 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2cc(-c3ccccc3)sc2c1=O 26163196 COFKVQIRMPKYBD-INIZCTEOSA-N 472.595 6.214 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2C2CCCCC2)cc1OC 28424965 UQUQVRSQDOHSGE-UHFFFAOYSA-N 477.590 5.070 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(Cc2ccc(Cl)cc2)n1 71891647 YLUVRGDQGGZHHK-UHFFFAOYSA-N 487.025 6.175 30 20 JKED CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nnc1-c1cccc(C)c1 108740050 DPYFQVFEPBVYIJ-UHFFFAOYSA-N 499.615 5.605 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ncc(-c2ccccc2Br)o1 195603229 LZKVSMZXCFZLEM-UHFFFAOYSA-N 465.800 5.966 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(-c3cnco3)cc2)c1 302987924 GIQKIFJDWPWDRI-UHFFFAOYSA-N 454.511 5.196 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccccc2Cl)C2CCCC2)CC1 303205696 NATFVRJNJLBQOF-UHFFFAOYSA-N 478.980 5.647 30 20 JKED COc1ccc([C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccc(C)cc2)cc1 409540649 GWXYBNGINPVWRB-MHZLTWQESA-N 482.584 5.025 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 409811202 KLKHPUFJAAVHQO-VWLOTQADSA-N 470.529 5.098 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2F)c1 481598316 PEQMZCYKEZUQAN-HSZRJFAPSA-N 473.504 5.417 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(N4CCCC4=O)c3)s2)c(C(F)(F)F)c1 487442643 HLASRVMMFGRROS-UHFFFAOYSA-N 470.476 5.003 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)n2)cc1 499576877 RGYWTOURKCCICR-INIZCTEOSA-N 465.416 5.241 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1OC(F)F 500402096 XYZQDXAHRFFOEU-KRWDZBQOSA-N 451.473 5.816 30 20 JKED O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc(COCC(F)(F)C(F)F)c1 502093531 YUNRSZKERUJJGO-UHFFFAOYSA-N 463.353 5.111 30 20 JKED Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cc1 502845618 WIXBEIPEZYQUTP-UHFFFAOYSA-N 478.335 5.919 30 20 JKED COc1cccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2c[nH]c3ccccc23)c1OC 503673874 YGNKGUGCOQMVQC-DEOSSOPVSA-N 468.557 5.030 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)cc1 509674292 VJMASUXMWPUTJL-UHFFFAOYSA-N 480.549 5.389 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 511325835 ZUESLDZTPGUEDU-UHFFFAOYSA-N 492.982 5.474 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2)c1 511483758 PENPZEJUCVCUST-UHFFFAOYSA-N 493.489 5.183 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(COC(C)C)cc2)nnc1-c1ccc(Cl)cc1Cl 512114107 LBZDBELWLNNNDJ-UHFFFAOYSA-N 491.444 6.094 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512171739 RPVZXWVSSOIQQM-FOIQADDNSA-N 462.531 5.146 30 20 JKED C=CCN(C(=O)c1cc(Br)c2c(c1)OCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512379422 IKOPWPXEXRMGSZ-UHFFFAOYSA-N 488.319 5.042 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)cc3C2=O)c1 514607540 HIOKOZXYTFTYKW-HNNXBMFYSA-N 469.566 5.414 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccc(Cl)cc1 514955293 PJNPLKXHKIOXOJ-HNNXBMFYSA-N 457.024 5.404 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)nnc1[C@H]1COc2ccccc2O1 515182992 QDCPLLMBEVHNDY-DNQXCXABSA-N 490.629 5.073 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc12 515542834 AJOYQCHKGFRTPB-HXUWFJFHSA-N 472.570 6.207 30 20 JKED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 515861370 GZZZHOAPNAXBCJ-UHFFFAOYSA-N 459.937 5.543 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(Br)cc4)c3)n2)cc1 516713624 CTKNPPNUUGDGAN-LJQANCHMSA-N 479.359 5.257 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 517466785 JJWWTDOYHCMKOU-NRFANRHFSA-N 497.542 5.750 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1NC(=O)c1ccco1 517800666 AKQIWOBBMUAEHK-LJQANCHMSA-N 452.495 5.326 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)cc1C 517852311 JDPIEVPMRYRKNA-SFHVURJKSA-N 487.604 6.143 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 518260242 CROBXSSAPRGQKF-OALUTQOASA-N 459.571 5.689 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnn1-c1ccc(OC(C)C)cc1 518757651 JCPFBHAFBMSNEY-QGZVFWFLSA-N 451.939 5.116 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Br)cc2O)c1 520363036 YTOCAZOQGPBTAE-UHFFFAOYSA-N 482.359 5.009 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 522569182 GGURMVAMEKIHRF-DENIHFKCSA-N 464.953 5.071 30 20 JKED CC(C)(C)c1cc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n(-c2ccc(F)cc2)n1 522870107 BXWVASXHFBEHRL-UHFFFAOYSA-N 488.567 5.063 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)o1 523445176 QBEWPFZXMSUGBM-NRFANRHFSA-N 498.366 5.670 30 20 JKED COc1ccc(CSCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1[N+](=O)[O-] 603569787 VVEFZGQTWALTDB-UHFFFAOYSA-N 479.533 5.389 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2C(F)(F)F)c1 603766751 WRTZGOXUQLGQEO-NRFANRHFSA-N 494.904 6.761 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)cc1 603969046 XIQZFGWPHIRCJH-UHFFFAOYSA-N 472.591 5.821 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 603976123 ZJONZSXMIRJDJQ-UHFFFAOYSA-N 454.357 5.421 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)o1 604183514 PSDIJHFTJQFARA-UHFFFAOYSA-N 483.490 5.143 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604288822 VYGCIMTYTGOASU-HDICACEKSA-N 485.428 5.926 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(C(F)(F)F)c1 608923079 CGDDBZPTJNOYJN-QFIPXVFZSA-N 496.489 5.606 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 609061194 LRGXTECAVKEACA-UHFFFAOYSA-N 478.577 6.003 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 609061975 OBNJIPVXXUAVOO-UHFFFAOYSA-N 494.517 5.715 30 20 JKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c2cnn(C(C)C)c2n1 609062592 COSUVKBTDBXCFQ-UHFFFAOYSA-N 459.937 5.677 30 20 JKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 609062819 ZZKOFRPUJSYLCV-UHFFFAOYSA-N 482.989 5.557 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3OCc3cscn3)cc2Cl)c1 609063248 SNXMSFPKDOCPLU-UHFFFAOYSA-N 475.957 6.078 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 609064424 VNRQJBKCFHXVOQ-UHFFFAOYSA-N 467.525 5.502 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1 609078509 VOOJKFUQCMOZRZ-SANMLTNESA-N 471.557 5.650 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)cc1 609079618 DJTCEMZRYQMQRD-UHFFFAOYSA-N 485.975 5.012 30 20 JKED N#C[C@@H](C(=O)c1csc(I)c1)c1nc2cc(C(F)(F)F)ccc2s1 609357015 NEBOOKARQQERHY-VIFPVBQESA-N 478.258 5.471 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 609384632 ZPUBDEMUWLWOLR-HNNXBMFYSA-N 453.545 5.735 30 20 JKED N#Cc1ccc(N2CCC(N[C@@H]3CCCc4nc(-c5ccc(Cl)cc5)sc43)CC2)nc1 610809578 GNYZITOHDXCKJB-HXUWFJFHSA-N 450.011 5.366 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)n2)cc1 613318171 NIFJJVADFFVTBA-HSZRJFAPSA-N 493.654 5.562 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3C)n2)cc1 613318322 YAVOIDILCHBAGQ-WMZHIEFXSA-N 493.654 5.480 30 20 JKED FC(F)(F)[C@H]1C[C@@H](C(F)(F)F)CN(C/C=C/CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 618451174 OBMIIDUQOFZYRX-XFAVMFAESA-N 494.364 5.668 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@H](C)c3ccccn3)C2=O)cc1 726421644 RGXRWLOAMIJLGT-YGXXCZFXSA-N 478.643 5.603 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S/C2=N/[C@H](C)c2cccs2)n1 726421812 SBKSGELLQUENKM-VXXYOONBSA-N 482.606 5.181 30 20 JKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2occc2COc2cccc(C#N)c2)cs1 726692398 WYWVFNMGKINPKB-UHFFFAOYSA-N 473.510 5.228 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726891648 PNYAIRXPVFIQMO-OXJNMPFZSA-N 480.615 5.182 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC 726938605 RPYLXMDVQFQTAV-UHFFFAOYSA-N 498.495 5.169 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(\c3nc4ccccc4[nH]3)S(=O)(=O)c3ccccc3)c2)c1 728157242 MVUBYAMPCXDCPP-MTDXEUNCSA-N 491.572 5.986 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728271349 ZKHBTGWEWCAQFW-IBGZPJMESA-N 454.574 5.541 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1C 728420185 AAVOXGXRJYOAOG-CYFREDJKSA-N 483.597 5.292 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2)cc1 728667747 ADUPOWRZKBRUFA-UHFFFAOYSA-N 474.822 5.818 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c(C)c1 728776951 HJZFERCDUBHCFZ-HSZRJFAPSA-N 462.619 5.574 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(CCc3c(C)noc3C)C2=O)cc1 730445312 XBDWWJIPYGOMAV-DEOSSOPVSA-N 490.629 5.420 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CCC2)C1=O 730460718 CWIRQHIOYGIKKP-LJQANCHMSA-N 478.401 5.515 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 730688568 ZNHKVZKVLUVOBJ-OAHLLOKOSA-N 491.947 6.901 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C(C)C)cc2)s1 730711922 JBIIYAHNLLWSEI-FQEVSTJZSA-N 479.631 5.130 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cocn3)C2=O)cc1Cl 730712661 HNCCVWYWXYBUJZ-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)cc1F 730717735 AKRFWOHHHCUSHY-HXUWFJFHSA-N 486.956 5.244 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3cccnc3)C2=O)cc1 730942175 HFUANBGKTBVTKQ-UUOWRZLLSA-N 486.597 5.314 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730944233 UFXXPYZPFQQKMD-FDDCHVKYSA-N 476.577 5.559 30 20 JKED COc1ccc2c(c1)CCC[C@H]2CC(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731075477 CAFVSTKJGQILCG-HKUYNNGSSA-N 452.576 5.081 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731305122 HHSIRKQQSDCOCV-LJQANCHMSA-N 471.991 5.268 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N([C@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731307528 IDJODAPTCXPVRM-XZOQPEGZSA-N 475.545 5.179 30 20 JKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2cc(C)ccc2F)cc1 744117321 TXFIEUMOIKVTQH-UHFFFAOYSA-O 494.656 6.643 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc3cccnc23)c1 745081789 KIFGGZKGJVMAAZ-UHFFFAOYSA-N 492.000 5.200 30 20 JKED CCOc1ccc(-n2c(-c3cccnc3)nn(CN(Cc3ccc(C#N)cc3)C(C)C)c2=S)cc1 746033330 ONMZOIWOESRKQZ-UHFFFAOYSA-N 484.629 5.604 30 20 JKED COc1cc([N+](=O)[O-])ccc1NN=Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 746680910 AHENWZRAWSJQPM-UHFFFAOYSA-N 479.440 5.209 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2cscn2)C1=O 747602366 ZYJDYLGHZHSBLR-QFIPXVFZSA-N 494.642 5.401 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cscn3)C2=O)cc1 747603828 YKOMBFCVIUAUNQ-OAQYLSRUSA-N 480.615 5.011 30 20 JKED CCN(C(C)=O)c1nc(COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cs1 779183026 RYKSLOKIXPJPNK-UHFFFAOYSA-N 451.573 5.037 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 837445763 ZAKXQHKCHHXYAN-PXDATVDWSA-N 486.641 6.037 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1F 838235637 KREGIDJONWJRAJ-KSFYIVLOSA-N 480.540 5.390 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C2CCCC2)c1 913119809 VUPGOOIXVIDPEZ-JOCHJYFZSA-N 499.036 5.510 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 914547352 NFWRUWZCJNDJKW-DVECYGJZSA-N 472.614 5.043 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1C 914547477 YEIIHZXYJDBNKM-GBXCKJPGSA-N 472.614 5.098 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 915580584 QJGKVSIYIOJABM-CQSZACIVSA-N 467.934 5.018 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 915742583 SEOKVRPXTHJDHM-QFIPXVFZSA-N 451.979 5.316 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1 915787913 NDGXNQFVGMVTBO-NOZRDPDXSA-N 485.996 5.901 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNC(=S)Nc2ccccc2C(F)(F)F)cs1 915927423 MIARPDUBWSIKOX-UHFFFAOYSA-N 463.510 5.167 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(C3CCCC3)C2=O)c1 916212471 WEWBACKJQCKXMK-HSZRJFAPSA-N 481.618 5.224 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C[C@@H]2CCCO2)cc1 916213052 XDEPHHOIKRWMCS-ZEQRLZLVSA-N 473.598 5.288 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c(=O)oc2c1 916449648 JJIXKKKNXQMPMO-UHFFFAOYSA-N 482.536 5.326 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2)c(OC)c1 916898892 FSFQTGHHKQFZHF-HSZRJFAPSA-N 456.542 5.360 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916902978 JLGJYKYGMSVFRD-QFIPXVFZSA-N 470.529 5.293 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916906898 WFTSHMIJFFSXTO-KNQAVFIVSA-N 487.581 5.195 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Oc1ccccc1 916906926 WJFURNIAAMDMIJ-XMMPIXPASA-N 466.537 5.668 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 916907298 LSJVKEZMEZSETF-SHQCIBLASA-N 491.056 6.635 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1Cl 916938370 LGHGYMCOFLUHSH-CQSZACIVSA-N 488.352 5.277 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(F)c(Cl)c4)cc3)o2)c1 916939006 NUQGSUFSGRNCBR-LJQANCHMSA-N 474.879 5.466 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 916947671 PLYUIKDOBVIXIP-ACJLOTCBSA-N 452.605 5.261 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1 916975210 AYDNUXJDQKXVEE-FQEVSTJZSA-N 480.014 6.405 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 916976743 GDTWNYFQBBWCDU-HNNXBMFYSA-N 456.017 6.376 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043418 LUGIFPWJHDKQFB-CQSZACIVSA-N 460.868 5.953 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ncnc3sc(-c4ccccc4)cc23)cs1 917536514 YCFCALBDSNGAPO-UHFFFAOYSA-N 488.573 6.085 30 20 JKED COCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917560186 ITXHGCMQPHYTDW-GHXNOFRVSA-N 456.951 5.402 30 20 JKED COc1ccc(N(C(C)=O)c2nc(/C=C3\SC(=S)N(c4ccccc4C#N)C3=O)cs2)cc1 917645039 RUFTUQCWTPAJTH-JAIQZWGSSA-N 492.607 5.114 30 20 JKED FC(F)Oc1ccc(-c2nn(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(=S)o2)cc1 918733923 ARTHHSMTDLADAO-GHMZBOCLSA-N 477.377 5.494 30 20 JKED COc1cc2c(cc1NC(=O)COC(=O)c1ccc(COc3ccccc3C#N)o1)oc1ccccc12 919514294 RYOYTGQUXPICKS-UHFFFAOYSA-N 496.475 5.434 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 920110634 FGRYEJKVHZPROB-NJNPRVFISA-N 485.544 5.638 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(C3CCCC3)C2=O)c(OC)c1 920172782 JXNSQGFLSCMGHJ-DEOSSOPVSA-N 493.629 5.095 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c1 920355746 METFUZPUZCQTBU-QFIPXVFZSA-N 498.555 5.293 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(C[C@H]2CCCO[C@@H]2c2ccccc2)C1=O 920360362 XNBLFQCDUPFYCN-NMVJMZGASA-N 479.646 5.046 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccccc2)C=C1 920394267 KNLHCJLWUUWXGC-UHFFFAOYSA-O 472.634 5.583 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 920869247 NWGSYXSVFSCIPU-VGOFRKELSA-N 471.598 5.192 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1C 920893825 HKTIILGTRPEFOQ-INIZCTEOSA-N 485.371 5.571 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4cc(Br)ccc4c3)CCO2)C1 1779242398 XHDXYUYLMIEPSW-SANMLTNESA-N 499.449 5.038 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)NC3(c4ccc(NC(=O)C(C)(C)C#N)cc4)CCC3)cc2n1 1785935158 NFBISXDAMKWASU-UHFFFAOYSA-N 460.965 5.494 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccc(Cl)cc3)cc2)CCC1 1785988987 RFWDZBLTYYOFQZ-ROUUACIJSA-N 455.986 5.379 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786104264 HVDZFLAFAAJUGZ-JOCHJYFZSA-N 495.664 5.536 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cncn3-c3ccc(Cl)cc3F)CCC2)cc1 1786370662 BITXPDKKCYSLBG-KRWDZBQOSA-N 496.970 5.004 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCCc4ccncc4)cc3)CCC2)c1 1786908387 WTYWELQHLJERTL-NRFANRHFSA-N 466.585 5.479 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cn(C(C)C)cc4C(F)(F)F)cc3)CCC2)C1 1788725678 XCVSRCOCZIPAJT-UHFFFAOYSA-N 459.512 5.802 30 20 JKED Cc1ccc(SCC(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)cc1 1789109465 XUUXXTMYVJCTGO-UHFFFAOYSA-N 495.608 5.283 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)c2c1 1789274097 ZASXULQSNZMCGJ-UHFFFAOYSA-N 464.525 5.110 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)cc2)CCC1 1789293389 AWHNCBOBDMKDPY-LJQANCHMSA-N 490.551 5.284 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cncn5c4)cc3)CCC2)cc1C#N 1789367670 OGSLVTAOZNJWAS-UHFFFAOYSA-N 493.567 5.055 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)cc2n1 1790287781 UVIQHSGULIXCIU-UHFFFAOYSA-N 450.498 5.069 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)Cc4c[nH]c5ccccc45)cc3)CCC2)ccc1F 1790396609 WQJLKEMJOLPMBD-UHFFFAOYSA-N 480.543 5.098 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1 1790519751 UQCIAUFFSOCBBV-OAQYLSRUSA-N 471.642 5.416 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(C)snc4s3)CCC2)cc1 1790564498 DIOLZKDEUIJUFI-CQSZACIVSA-N 470.620 5.215 30 20 JKED Cc1ccn2c(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5Cl)cc4)CCC3)cnc2c1 1790767821 ONUUTLNRWQIRNJ-UHFFFAOYSA-N 483.959 5.229 30 20 JKED O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1791186629 SLSRNZBZHSBZCV-OKCVXOCRSA-N 483.490 5.094 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791250187 KJNPBQKHECZJGB-NFBKMPQASA-N 483.653 5.512 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)CCc4ccc(F)cc4)cc3)CCC2)c(C#N)c1 1791463058 MGYVZONYQHUYNC-UHFFFAOYSA-N 485.559 5.015 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cnc(C)s3)CCC2)cc1)c1ccc(O)cc1 1791645516 IJBWCJVZAPOYCK-JXVRESAISA-N 499.636 5.502 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)c1 1792123348 VSDWBNHUZRREQC-KRWDZBQOSA-N 457.496 5.794 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1c(Cl)cc(Cl)cc1Cl 1792864537 NICLVXGXTFQXOD-BCDXTJNWSA-N 485.839 5.432 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CC1 1795771567 VGBNNUGQGZZVOC-BJESRGMDSA-N 477.690 5.069 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1797777118 WVIYWSVWXDTRSP-VHJOFQCFSA-N 471.117 5.133 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)c(C(F)(F)F)c1 1801560288 CRBGTOZITMDNOC-ACDBMABISA-N 496.621 5.076 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(C)C)c(C#N)c2)C3)CC1 1801813474 PGKNGROYGALQSB-COFYWFGJSA-N 465.638 5.204 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](c2ccc(OCc3ccccc3)cc2)C(C)C)C1 1802082412 OJAXGWDIYNTNRW-UMNYJUJISA-N 486.656 5.610 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cc4cccc(F)c4)cc3)[C@H]2c2cccnc2)C1 1802418323 RHOWCENMBCFJQU-LSYYVWMOSA-N 483.587 5.097 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803556231 YZBGXMVIRSYMOS-MSLLRLGPSA-N 498.067 5.163 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc5cc(Br)ccc5c4)CC3)C2)C1 1804780697 SZDAPTMWLHOQTF-UHFFFAOYSA-N 481.434 5.413 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)CC2)C1 1804858347 BHUUWEOJMOJXOL-UHFFFAOYSA-N 484.591 5.192 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4cc(Cl)ccc34)CC2)C1 1804861923 BYMIIQOXTZOQRY-UHFFFAOYSA-N 457.018 5.054 30 20 JKED Cc1scc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c1C 1806055974 TUCBGIZMFXCCMD-LAMXGVLKSA-N 472.614 5.020 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1806087959 RJPNHYSNXQDXAR-NFBKMPQASA-N 476.646 5.312 30 20 JKED Cc1csc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4Cl)CC3)C2)c1 1807054099 CRLQIMWTTFDVJO-UHFFFAOYSA-N 470.038 5.059 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c(Cl)c1 1808530529 PPCKNTQYNNXTDK-YVVZQAGLSA-N 477.008 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1809161146 NWOZODBIRYLXLJ-ZJSXRUAMSA-N 459.590 5.448 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3c[nH]c4cccc(Cl)c34)[C@@H]2c2cccnc2)c1 1810073143 DGHHWQKQZBNYGM-IBVKSMDESA-N 497.986 5.030 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1)c1ccccc1 1810443201 FFEXOXPABNEUAM-KYPHJKQUSA-N 497.620 5.406 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1810768706 XTTHAVIRCHWVCN-YLJYHZDGSA-N 475.420 5.095 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1810772744 JRVKFXLDVVETRZ-ZJSXRUAMSA-N 496.449 5.241 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810925359 RTVUHSFPABRILM-CVDCTZTESA-N 489.513 5.328 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1811907295 IEAFZVILDVETOM-WIOPSUGQSA-N 482.100 5.106 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302653 BHPKNTHJDOZBAA-AMGIVPHBSA-N 495.623 6.293 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)s1 1813864706 BIGMRXPIDXMFRV-RMQVNJIYSA-N 486.641 5.031 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1815207322 DUFZUWGLKZGSGB-IBGZPJMESA-N 470.570 5.052 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc(C(F)F)c2)n[nH]1 1816082210 OODCATRGHRAIEZ-FQEVSTJZSA-N 487.627 5.099 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C(C)C)nn3ccccc23)n[nH]1 1817795204 ZGPYDSKDOQPNHF-FPOVZHCZSA-N 474.609 5.255 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cccc2Cl)[nH]n1 1818116693 CCAIUEKZHWNBPC-FVNWOWOISA-N 486.956 5.009 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818813310 SAERZOLMLCNAMJ-HRBBJJPOSA-N 465.513 5.047 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1)C(F)(F)F 1819079133 QREGKRUVIFYKFE-OAHLLOKOSA-N 466.460 5.188 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ncsc34)n[nH]2)c(Cl)c1 1819155296 JMPRPVOQJDXWBJ-HXUWFJFHSA-N 490.976 5.164 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)[nH]n1 1819309352 SKEMQHJIXVQRGY-WIYYLYMNSA-N 479.531 5.310 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)[nH]n1 1819554991 VSDLQLHMKWQVCX-FQEVSTJZSA-N 464.566 5.468 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)[nH]n1 1819555668 UMCOGQXYPVVPQR-HXUWFJFHSA-N 487.608 5.028 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)[nH]n1 1819556602 HFPDTGBRVMPIGN-HXUWFJFHSA-N 458.990 5.370 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)nc2Cl)n[nH]1 1819679346 UUBWQEFPVPAALA-MRXNPFEDSA-N 464.397 5.410 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820087809 GMTVAYLZWPKLOY-IIBYNOLFSA-N 472.549 5.064 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(C#N)ccc4F)n[nH]3)c[nH]c2c1 1821274833 PGMSBBZYISWSHD-CZNRWDAFSA-N 496.546 5.230 30 20 JKED C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310374 RGYQMCFEAJKDFU-LXGCGDOSSA-N 473.499 5.042 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)c1cccc2c1oc1ccccc12 1821610223 PAQNSPNRYIRZEU-QFIPXVFZSA-N 452.514 5.028 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1)C(F)(F)F 1821991895 ABHZWAKBRPEEEQ-HNNXBMFYSA-N 482.915 5.702 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(Br)s2)n[nH]1 1822728047 NSDHNQDCIVKSBB-RMPFSWKXSA-N 477.428 5.151 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1cc(F)cc(Cl)c1 1823207152 GEZLUFOISWPZIL-IPLHWJFFSA-N 486.956 5.009 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1F 1823212275 HTZRWDHSQXDPIU-JTSKRJEESA-N 459.525 5.104 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823304231 SKILBHVVZUSFCA-MRXNPFEDSA-N 475.298 5.373 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)nc2)CC1 1823655605 JEBOBSUYEUULAG-RPWUZVMVSA-N 451.655 5.381 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)c1 1823987934 ZOKLXEVJYVLIBD-RUZDIDTESA-N 481.999 5.135 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)ON=C(C)C)CC1)c1ccccc1 1826421599 BSYZDISBIIGMHT-DDOAZUFRSA-N 469.670 5.237 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827263856 XVSIBGDNVWXENB-GHTZIAJQSA-N 480.099 5.137 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2sccc2Cl)CC3)c1 1827699502 QWSXHDSJUIHZTA-SWLSCSKDSA-N 471.007 5.025 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827778345 IBFDNQHNDLLXIE-LEWJYISDSA-N 487.632 5.276 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncoc3c2)CC1)c1ccccc1 1828298266 RMVMKVAKDJFZRL-BDYUSTAISA-N 483.612 5.258 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1 1828822186 YDRBZIWHPXBLMA-URXFXBBRSA-N 477.020 5.246 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c(OC)c(C)c2)CC1 1828827835 WEPGGVBNUKCEKA-RPBOFIJWSA-N 452.639 5.314 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2OCC2CC2)CC1 1829066178 SJVUCJXERBWPNJ-DEOSSOPVSA-N 467.654 5.096 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829571871 HKMNYWAIPAQRSN-GJZUVCINSA-N 493.673 5.616 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)cc1 1830016362 JWTYGTOHOYBKMZ-HSZRJFAPSA-N 487.497 5.263 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)c1 1830168789 CUIZNRCZUULNIA-QOKVKHORSA-N 491.676 5.294 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)c3ccc(O)cc3)CC2)c1 1830341419 ZIJPBIJCDVKYJJ-GNMOFYLKSA-N 473.617 5.056 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536334 GNUQBMMRGIEVOH-OXJNMPFZSA-N 454.508 5.290 30 20 JKED O=C(C[C@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601609 GHUJTADQUZYSQD-LOYHVIPDSA-N 498.667 5.279 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1830608048 UNGOOBGQDKFOMU-GDLZYMKVSA-N 494.639 5.513 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830716523 GZALDACCWXQSSQ-SANMLTNESA-N 491.607 5.422 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1)C(F)(F)F 1831452011 RFEWHOILYOGBII-HSZRJFAPSA-N 458.524 5.121 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1831855854 OXILBURUJOSRMD-VWLOTQADSA-N 456.590 5.039 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831926863 BLRDYJPTZNLLLS-UZFGVPKDSA-N 498.667 5.313 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1832028222 JDFBAJHXEMVLJI-DEOSSOPVSA-N 461.606 5.077 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)CC1 1832040576 ZYFIFYKRNOVSFY-LOSJGSFVSA-N 454.680 5.339 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccn4c3)CC2)c1 1832630502 JMEKTOWMZLFZIR-YADARESESA-N 474.630 5.175 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)c1 1832632642 AESOINIMTYQQEW-KMRXNPHXSA-N 495.627 5.251 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(F)(F)F)ccn3)CC2)c1 1832634084 RONNSYLPUPSEBZ-KOSHJBKYSA-N 498.549 5.275 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832634943 YMGMBAJPVSOQPU-HSMPBNSZSA-N 499.655 5.659 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=C/c3ccc(CCCCC)cc3)CC2)CC1 1833254610 GCLJSEWMWRITDN-DKUDOZJNSA-N 479.709 5.216 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)CC1 1838424515 KJVYHUQZMLKELV-UHFFFAOYSA-N 498.067 5.493 30 20 JKED N#Cc1ccc(COC(=O)CCc2nc3cc(C(F)(F)F)ccc3n(Cc3ccccc3)c2=O)cc1 9195641 QEMWPPOGPTUHBM-UHFFFAOYSA-N 491.469 5.011 30 20 JKED C[C@H](OC(=O)c1ccccc1CSc1nc2ccccc2o1)C(=O)Nc1ccccc1C#N 9556009 UKXZDRUHIOFVRI-INIZCTEOSA-N 457.511 5.176 30 20 JKED C[C@H](OC(=O)c1ccccc1CSc1nc2ccccc2o1)C(=O)NC1(C#N)CCCCC1 9556017 MUFQZOQQJKSQQN-KRWDZBQOSA-N 463.559 5.008 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1Cl 10170257 VADSDVRHYANQFH-UHFFFAOYSA-O 492.451 6.923 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172757 KBQKILSISZRHBX-UHFFFAOYSA-O 467.970 5.904 30 20 JKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(C#Cc3ccccc3)cc2)cs1 11257366 JAFGQTVAHNVKGH-UHFFFAOYSA-N 452.535 5.585 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 11444543 DAIAFEJQNJNQBX-UHFFFAOYSA-N 476.291 5.200 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)cc(OC)c1OC 16227030 LPPLOJJTWQVFFL-UHFFFAOYSA-N 460.530 5.336 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 17450967 GYZGFWOMKQEQBU-UHFFFAOYSA-N 476.554 5.155 30 20 JKED CCOc1c(Br)cc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc1OC 18064585 KZDCKRNZRZOBHT-XDHOZWIPSA-N 481.346 5.156 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)nn(C)c2C)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 19297739 APTUCCHTVAIASM-SFHVURJKSA-N 498.722 5.425 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(CO)c2)cc1 24033660 YRRRYTCWLRRDEV-UHFFFAOYSA-O 469.630 5.968 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 26433755 ZOGTVLFFFMGXJY-INIZCTEOSA-N 451.527 5.394 30 20 JKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)[C@H](C)Sc3cc(C)c(C#N)c4nc5ccccc5n34)o2)c1 26467782 QKPXDBPWHXCARJ-MSOLQXFVSA-N 497.580 5.811 30 20 JKED C=CCN(C(=O)CSc1nnc(CSC)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 29917802 QMZYTCHDZNSCJC-UHFFFAOYSA-N 487.459 5.674 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 31682471 QHFJFEWOVQYPFW-NSHDSACASA-N 493.383 5.010 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 32786658 XMYJUQPEJGGWFI-XMMPIXPASA-N 478.618 5.253 30 20 JKED Cn1cnnc1Sc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl 72057824 NRMDSPORQIOCAC-UHFFFAOYSA-N 475.961 5.323 30 20 JKED COc1cc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)ccc1OC(F)F 207965717 FODOLAJYDRGONN-LUAWRHEFSA-N 461.468 5.500 30 20 JKED CC(=O)Nc1ccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C/c3ccc(NC(C)=O)cc3)C2=O)cc1 208140503 PDCUPHCPEJLGLK-XPKSCPAASA-N 489.575 5.895 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c1 255636221 YWWOUSPPCZSGEP-OAQYLSRUSA-N 451.523 5.196 30 20 JKED Cc1nc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)sc1SCC#N 302935371 IVVYYSLTNCYQRB-UHFFFAOYSA-N 488.520 5.315 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 303331895 JTAQLOUDVWRDBA-ZDUSSCGKSA-N 452.458 5.449 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(C(F)(F)F)cc1 481471967 LMNGOUGRVZLBIK-OAHLLOKOSA-N 485.437 5.111 30 20 JKED N#Cc1cc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)ccc1OCC(F)(F)F 487073342 JZDPNFMIXMCPSH-UHFFFAOYSA-N 456.449 5.057 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 490629703 JJZWOSRPEHNYPD-GDLZYMKVSA-N 489.575 5.832 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCCc3nc(-c4ccc(F)cc4)no3)c2)cc1 501466355 JIEXMMQHTICKSS-UHFFFAOYSA-N 470.504 5.482 30 20 JKED COc1cc(C(=O)N(CCC#N)Cc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl 505218887 JAKWSAXLSHYLKC-UHFFFAOYSA-N 470.356 5.532 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 505618711 BBSDOGUTKJQTDS-UHFFFAOYSA-N 488.931 6.024 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 505709795 WMDSCCCBRBYYDJ-UHFFFAOYSA-N 454.486 5.371 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)ccn2)cc1 509640772 QCGYCIFFGJUZJC-UHFFFAOYSA-N 471.542 5.123 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510227763 AULYHABUUCOKMO-OAQYLSRUSA-N 479.631 5.860 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc1 511944358 XOTKFADMEUFBEQ-NRFANRHFSA-N 493.972 5.166 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1nc2ccccc2s1 513691922 HXQMOYAFQVTKJQ-GOSISDBHSA-N 476.355 5.801 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc12 513692166 JYHWEFNTHVTRET-SFHVURJKSA-N 499.621 5.534 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1 513727782 ONJNQFXTSDTTSY-UHFFFAOYSA-N 452.514 5.343 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)cc1 515787951 LZFWJWLPFDMDQB-QFIPXVFZSA-N 480.362 5.515 30 20 JKED CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 515796416 QRGGAXJLPRSJDY-QHCPKHFHSA-N 457.530 5.376 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 516081573 TVEGHGUSORSTPJ-DVECYGJZSA-N 459.977 5.770 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 517800921 PLCUSQBYYDTXKF-OAQYLSRUSA-N 484.537 5.829 30 20 JKED CCCOc1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 518107910 JGZYUMIKDZQVPM-QHCPKHFHSA-N 461.949 5.039 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)n2)cc1 518516766 XNBDERJEIIKYLO-FQEVSTJZSA-N 488.569 6.157 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1)c1ccccc1 519107989 QMBQHPXYRSXBDH-UHFFFAOYSA-N 453.420 5.028 30 20 JKED N#C[C@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 519253103 YLTIWDYXUPRCHQ-QGZVFWFLSA-N 458.568 5.312 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)Cc2ccc(C)s2)nnc1-c1ccc(Cl)cc1 519986343 HFWXEQRMAJGELX-UHFFFAOYSA-N 499.061 6.069 30 20 JKED N#C[C@@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccc(Cl)c1Cl 520889274 CHWBANIDRMWZFG-HXUWFJFHSA-N 478.335 5.915 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc1 522450925 RVUBFGBZTBDXJQ-UZUQRXQVSA-N 485.540 5.205 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2Cl)cc1 522571160 LLBMNKDPGPFEQH-UHFFFAOYSA-N 460.917 5.833 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 524326740 LBGDMSUFHFSTJZ-UHFFFAOYSA-N 467.569 5.390 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 524381422 BWHQEEJFVVORGJ-OAQYLSRUSA-N 484.339 5.280 30 20 JKED CCOc1cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 585813446 FPBOMBJEGUNGBR-CHWSQXEVSA-N 467.372 6.026 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 589261763 HKLDQKZXKAYYSD-GOSISDBHSA-N 459.571 5.179 30 20 JKED C=CCN(C(=O)Nc1ccc(Sc2ccccc2)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 596362036 HXCUJZPNAIJYGX-HXUWFJFHSA-N 470.602 5.903 30 20 JKED N#Cc1ccsc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2 603563687 VVPHPUPWVSZHHN-LFIBNONCSA-N 451.507 5.636 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)nnc1-c1cccc(C)c1 603739187 YCGKIRGZBIISNI-UHFFFAOYSA-N 484.585 5.372 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(COc3ccccc3Br)cc2)CC1 603896323 NSEQUXOTCRVKSZ-UHFFFAOYSA-N 490.401 5.252 30 20 JKED CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 603900664 PQXUWNIRTCODBK-CQSZACIVSA-N 454.427 5.008 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)c2)c1 603995399 KRBVWQFXVCXUFB-UHFFFAOYSA-N 466.522 5.377 30 20 JKED N#Cc1cccc(COc2cccc(NCc3nc(O)c4ccc(C(F)(F)F)cc4n3)c2)c1 604007057 KREYSPGHIXUXHJ-UHFFFAOYSA-N 450.420 5.417 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCC3(c4ccc(F)cc4)CCCC3)c2)cc1 604141451 NCIRUBZFQRZAAG-UHFFFAOYSA-N 485.559 5.037 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609080882 PCQFTSNQFXNVNL-HXUWFJFHSA-N 455.562 5.192 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 609428678 ZKZMADIBVVZUOV-HNNXBMFYSA-N 470.019 6.609 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1nc2ccccc2n1C(F)F 613403334 FRZKKBQLMSSDRB-ZDUSSCGKSA-N 479.796 5.779 30 20 JKED CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(Br)cc1 613403400 GMOAUBKCHICUPF-HNNXBMFYSA-N 484.304 5.432 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 613623812 ALFHZQNUVBIHLY-CHWSQXEVSA-N 496.448 6.087 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CC1 619105984 SWFAHQSXWHDVNV-UHFFFAOYSA-N 489.000 5.608 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726408046 WWUXHTRTNDDXNR-JOCHJYFZSA-N 499.036 5.297 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)c1 726419293 DNXIQCPFRUDRFO-ICAVPRFASA-N 494.642 5.050 30 20 JKED CCc1c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2CC)[nH]c(C)c1C(C)=O 726570500 BNWVVUCAHUDWMJ-UHFFFAOYSA-O 494.040 5.786 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2ccc(CCC)cc2)c1 726572925 KNMHWGQVWYIZPR-UHFFFAOYSA-O 457.619 6.018 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNC(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cs1 727061886 OCAHNDJXJQXWDS-ZDUSSCGKSA-N 492.457 5.694 30 20 JKED Cc1c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727266797 GCIGHOFDXMTJLR-CMDGGOBGSA-N 469.457 5.264 30 20 JKED C=CCN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 728022253 ODOGPNPILUVUHL-QHCPKHFHSA-N 474.542 5.202 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 728423065 OHMIKNUFBQKKPP-OPAMFIHVSA-N 489.988 5.328 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 728521623 GBYKTHUZMZLSHN-RCZVLFRGSA-N 475.589 5.602 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 729888617 MAZUCEPLGZLFSV-MZNJEOGPSA-N 455.514 5.052 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c1 730442927 AGCMRVZKDCUBSW-QHCPKHFHSA-N 494.592 5.250 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1C 730613278 POZVCOMNLJPEOT-MOPGFXCFSA-N 486.355 5.210 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3cccnc3)C2=O)cc1 730942323 MPVIGOKXQPGSBX-WMZHIEFXSA-N 458.587 5.420 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N([C@@H](C)c2cccnc2)C1=O 730942661 UNEUKNZMEGXLOR-YADARESESA-N 488.613 5.429 30 20 JKED C#CCN(C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C1CCCCC1 743689768 LBNFLUMKWJGMSE-QGZVFWFLSA-N 465.644 5.480 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2oc(C(C)(C)C)nc2C#N)cc1OC 746498430 ZAKRGVUNGCODJV-UHFFFAOYSA-N 484.560 5.219 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)cc1 746697962 QSMMHZRVHMBCMI-NRFANRHFSA-N 471.598 5.164 30 20 JKED Cc1csc([C@](O)(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(F)(F)F)n1 746837724 XYCNIWISDJPMJR-OAQYLSRUSA-N 461.465 5.203 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 750700976 IWLSHNAUAINPHN-FQEVSTJZSA-N 464.566 5.428 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 750917482 UVKRENRROVBOND-YVMONPNESA-N 498.448 7.070 30 20 JKED COc1cc(C#N)ccc1OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 751055003 MEACFHBWGNGZOT-NHTMILBNSA-N 454.526 5.099 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(C3CCN(C4CC4)CC3)C2=O)c1 837302011 OYTUNJWDSQGNGW-XMMPIXPASA-N 494.636 5.030 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)c3cccnc3)C2=O)c1 838591457 HWERFCQTOGXDSE-HXOBKFHXSA-N 494.567 5.698 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@@H](c2ccccc2)C2CC2)C1=O 914549205 BSTHSXLPOPBZKF-ICSRJNTNSA-N 462.402 5.212 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)Cc2cccs2)cc1 914694965 ZLVCQHIGWRGWGW-VGOFRKELSA-N 479.627 5.348 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2ccccc2)o1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103375 UIJIEQYHLJPFOS-NFRJURENSA-N 458.587 5.470 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 915351922 DJBGNPVZOKFXLR-SANMLTNESA-N 453.542 5.477 30 20 JKED CSCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nnc2ccccn12 915353511 UYPAHMWRKXPTOC-VXKWHMMOSA-N 456.575 5.001 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916057803 YIIKGEMRTKZSOF-JOCHJYFZSA-N 493.369 6.594 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccnc2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 916137346 VZWBNIOKHMVQPP-RYYQIYIFSA-N 462.590 5.182 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2F)c1 916208733 ROFZUXQCYAIPOE-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1Cc1ccccn1 916216041 NVLYBMMDKSYXBS-OAQYLSRUSA-N 498.530 5.569 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1csc(-c2ccc(Cl)cc2)n1 916283626 KYQZWQZYKSRVOK-UHFFFAOYSA-N 462.874 5.155 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCCC5)c2)cc1 916451621 LPYUGLPSMBWTHB-UHFFFAOYSA-N 498.608 5.492 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCSc1ccccc1Br 916899196 IHMUHOXOOKGKER-CYBMUJFWSA-N 481.799 5.249 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916919531 YSCRJBZJRTYODP-HSZRJFAPSA-N 461.496 5.943 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccc(Cl)cc1Cl 916928160 IFIPDXISZWHOEO-CQSZACIVSA-N 464.255 5.207 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 916941329 SJTDKQJGUUFAKN-NSRYLSIASA-N 490.787 5.747 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 916952152 HFSALXSXZIVSFW-KRWDZBQOSA-N 459.449 5.107 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nncn3-c3cccc(Cl)c3)n2)cc1 916973530 ZTDHFGUESGHPNX-GOSISDBHSA-N 465.991 5.321 30 20 JKED N#C[C@@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 917042426 CCTALQXCCYTQCJ-AWEZNQCLSA-N 477.464 5.980 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cccc(C)n3)C2=O)cc1 917669293 OWXZWEHOUVZLAL-HSZRJFAPSA-N 458.587 5.167 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccc(C#N)cc2)cc1 917682112 FCQDFDGJUGXYFX-QHCPKHFHSA-N 490.535 5.305 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccc(C)n3)C2=O)cc1 917683275 UIEIJGJJTHSUIY-XMMPIXPASA-N 486.597 5.062 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)cc1 917684274 AFGWIMNKHLLUAF-XMMPIXPASA-N 484.581 5.117 30 20 JKED Cc1ccc(CN(C(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)C2CC2)o1 918804508 YJWOCWPPPVZDGX-UHFFFAOYSA-N 460.555 5.100 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 919665373 URHWCHFBDOOIIT-NRFANRHFSA-N 465.962 5.324 30 20 JKED COc1cc(/C=C/C(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1OCc1c(C)noc1C 919864318 LUQNPKYYKODTPY-DHZHZOJOSA-N 461.518 5.190 30 20 JKED CC(C)(C)OC(=O)NC(C)(C)c1noc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)n1 920071381 HPQIGOOAOLWPQB-UHFFFAOYSA-N 481.578 5.137 30 20 JKED FC1(F)Oc2ccc(NC(=S)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2O1 920072900 WELLPEGWSNWFNM-YUMQZZPRSA-N 450.351 5.204 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 920139399 SYGMAEXENHGPKJ-BJKOFHAPSA-N 481.577 5.556 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H](C)c2ccc(C)s2)C1=O 920170493 NGBNZBQMVQIZLB-BDJLRTHQSA-N 456.420 5.192 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804610 WYXADJDKUIULMX-ZBFHGGJFSA-N 471.554 5.333 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 1779274040 JPZMVTZVDZDGQZ-FKCDAAJZSA-N 485.068 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C(F)(F)F)c1C)C2 1779513297 VSMVFTWCXMEOLP-PXDATVDWSA-N 480.571 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)C1 1781676471 FMMJCSARAUSSEG-YKKMPQLRSA-N 487.084 5.362 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1 1786330740 HNNJAJJYKWMPDR-SVBPBHIXSA-N 479.580 5.313 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)CCC2)cc1 1786395306 XRHHCMOUWVZYPN-HXUWFJFHSA-N 490.551 5.055 30 20 JKED Cc1nscc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1787191754 QRSSTLFIQULRMQ-UHFFFAOYSA-N 453.684 5.250 30 20 JKED Cc1cc(Br)c(N)cc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](S)C(C)C)CCC2)cc1 1787950017 XFNYSRGMCSNWCF-FQEVSTJZSA-N 490.467 5.042 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CNc4ccc(F)cc4)cc3)CCC2)c(Cl)c1 1787987010 ZJLQZDMAEOIIIR-UHFFFAOYSA-N 476.939 5.211 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cc(Cl)cc3Cl)CCC2)cc1 1790566777 DJADLKVFLGDIGI-CQSZACIVSA-N 480.367 5.681 30 20 JKED CCCOc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)cc1 1790836356 ARLVRZWLDHQXFI-UHFFFAOYSA-N 493.567 5.285 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc4c[nH]nc4c3)CCC2)cc1)c1ccc(O)cc1 1791642770 RTXADLDCZGSPHH-NRFANRHFSA-N 492.579 5.213 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cscc4C)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681348 KGWNURGWDXGTKM-QFIPXVFZSA-N 495.645 5.370 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124836 LFRVTYMMALAQGU-LEWJYISDSA-N 466.585 5.562 30 20 JKED CC(C)n1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)n1 1792124941 PKYFIVWHHNZVOG-LJQANCHMSA-N 455.562 5.153 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccn5nccc5c4)CCC3)cc2)cc1C#N 1792168497 IDFJBPVREJNKQH-UHFFFAOYSA-N 493.567 5.055 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(Cl)ccnc5c4)CCC3)cc2)CCC1 1792233559 QVIJFRSNWYKEAZ-UHFFFAOYSA-N 458.949 5.330 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)cc1C(F)(F)F 1793952450 LIODMAAWLPHEMO-WKCHPHFGSA-N 496.621 5.076 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccccc1)c1ccccc1 1797034809 ZCLAAGCTYPBDKP-HVWQDESWSA-N 477.608 5.198 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2cccc(Cl)c21 1801428778 ZJGMVRSTECFEQD-CIAFKFPVSA-N 471.117 5.059 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2OC)[C@H]1c1cccnc1 1802502839 MPXKUAMCUPVYTL-UGKGYDQZSA-N 470.013 5.056 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1803090524 HXKUNSQELHANRP-YTMVLYRLSA-N 496.655 5.577 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4ccc(Cl)cc4[nH]2)C3)cc1C#N 1803840193 MFBLNLKMJWHZFR-KOUNCHBCSA-N 490.991 5.046 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1 1803859438 SBBNHBZQTPECFC-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1805369919 FDWUERWYGNRTLQ-OZXSUGGESA-N 486.616 5.357 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)C1 1805456188 FMKQMQRFLNJYMN-UHFFFAOYSA-N 454.998 5.699 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)C2)CC1 1805612297 ZPVFSLBLZMQJCN-FSSWDIPSSA-N 456.577 5.068 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C2)CC1 1805635878 XATSNIPOKDUWKC-REWPJTCUSA-N 476.061 5.112 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1808888719 HXOMFQYUUFKBLP-RLMAOMLRSA-N 493.673 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810174392 NILTWMYKWSCOFX-MDNUFGMLSA-N 471.523 5.188 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1810443397 HMWKTORJSJMGSO-ONBPZOJHSA-N 486.015 5.252 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccsc2)[C@@H]1c1cccnc1)c1ccccc1 1810445837 ISRADDYQPYOTJM-WYIWQERUSA-N 483.637 5.060 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(Br)c2)[C@H]1c1cccnc1 1811046333 KEVDLPGWEMAGAL-RRMPHLOHSA-N 490.829 5.029 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)sc3Cl)[C@@H]2c2cccnc2)c1 1811105523 RSLPCOWBUBDWDE-UWJYYQICSA-N 499.423 5.263 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1812115650 SMHWGLZARCRYQO-NLFFAJNJSA-N 491.035 5.595 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(F)c1F 1813842967 GNLPKPFMKIEHLJ-QFQXNSOFSA-N 497.662 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)c1 1813865594 GYRKTTDYKPROBS-UQTJMHGGSA-N 498.671 5.635 30 20 JKED Cc1ccc(F)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814577245 ULKCUCVNXGFOPI-FQEVSTJZSA-N 465.916 5.002 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Cl)[nH]n1 1818117540 XBEWUYANBAANDV-BLGFXRMMSA-N 486.956 5.009 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccccc23)n[nH]1)c1cccs1 1818453104 XQLOQOHNEKWVOD-DGXIYAMASA-N 484.581 5.369 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cc2ccccc2o1 1818626954 ANXKJKHMGKPYRY-NRFANRHFSA-N 472.932 5.167 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(-c4nccs4)noc3c2)n[nH]1 1818977738 HLABSMCFIWRGLD-HNAYVOBHSA-N 490.589 5.193 30 20 JKED C[C@@H](Sc1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1819254907 YRAPFJONYRDUKF-DYESRHJHSA-N 493.658 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1819309678 FTUCPZDELYWCMG-SFLYRZDNSA-N 484.044 5.127 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)[nH]n1)c1ccccc1 1819520509 KMJAWAINNNRQRX-HUBMOFRJSA-N 481.600 5.098 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)n[nH]1 1820172796 QCRFWXURUQOAAP-INIZCTEOSA-N 484.881 5.330 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c(Cl)c1 1820430908 RMJVSVWDHNKTSI-IBGZPJMESA-N 486.334 5.347 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(Cl)c3)n[nH]2)c1Cl 1820499441 AVPNUSQPASQQJQ-LJQANCHMSA-N 468.344 5.208 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)[nH]n2)cc1 1820548494 GHEROHBPIBVSHN-IBGZPJMESA-N 486.334 5.347 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)cc2F)n[nH]1 1820630173 QRJDYWCEAMGXOX-NRFANRHFSA-N 472.612 5.045 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)[nH]n2)c(Cl)c1 1821277167 LGBIVBXSAXUDMM-FQEVSTJZSA-N 468.344 5.208 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)[nH]n2)c1 1821327534 MZLLVZBCHNEJNJ-DBUALKDLSA-N 479.584 5.018 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)[nH]n1 1822383136 XGMOCVHZSHGAIH-IAQYHMDHSA-N 493.452 5.011 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1822384948 SJNXRBJVRJFKHL-IFXJQAMLSA-N 479.631 5.244 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1 1822394024 MJEUUIAJXYOZCA-FQEVSTJZSA-N 461.393 5.145 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCCC2)[nH]n1 1822399014 NOGFBXJCFAMSMS-HXUWFJFHSA-N 485.426 5.252 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)[nH]n2)cc1C#N 1823294046 INJFPEGPMBFFKY-NTKDMRAZSA-N 485.588 5.178 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c1 1823939087 RDFMFFSNNSMVSX-XMMPIXPASA-N 467.972 5.206 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 1824035830 YMONWIPASMQJIW-RSYZFUPGSA-N 452.614 5.317 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1824959044 OIHMSBDQQLFGQJ-HXUWFJFHSA-N 477.095 5.707 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1827355045 GDUNIEZABWCTTN-AREMUKBSSA-N 493.598 5.454 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681793 RMMZGZBTUGKRST-NELJVSICSA-N 485.049 5.382 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828168612 ZZSSCCLGAYRPQZ-HHHXNRCGSA-N 491.676 5.122 30 20 JKED C[C@@H](Oc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906787 HYROKJYAFIJEEQ-BVAGGSTKSA-N 482.741 5.125 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1F 1829686168 XEDROWHOZAYLCJ-QFIPXVFZSA-N 467.972 5.206 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1830416656 SDLPWYSHDHSZHC-DFBJGRDBSA-N 499.055 5.231 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830534475 FLMMRLAMPUSJRY-OAQYLSRUSA-N 484.534 5.061 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)cc1 1830630003 DMEFPVKSZNGNLC-SANMLTNESA-N 478.036 5.272 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c(Cl)c1 1830717256 IYJJGFQNAICNFL-DEOSSOPVSA-N 467.972 5.206 30 20 JKED Cc1cscc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721720 NCXBYMBDKGGSPZ-JOCHJYFZSA-N 456.011 5.129 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)cc(C(F)(F)F)c1 1830755886 OAYXTMUXRUUJAS-KDLSMAQYSA-N 487.566 5.557 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc(Br)c2C)CC1 1830779533 ZSBHDBVSROMSRI-JOCHJYFZSA-N 491.445 5.324 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)CC1 1830801944 ASOFUTBIRBNRIQ-QHCPKHFHSA-N 469.626 5.151 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1)C(F)(F)F 1830804515 HGCFXMJDMNJJPT-IBGZPJMESA-N 492.460 5.066 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1831447862 XFEXJRDYSCSDOQ-LJQANCHMSA-N 476.461 5.289 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1)C(F)(F)F 1831450857 GUBXVBHNIGETGL-NRFANRHFSA-N 478.555 5.142 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831719034 OXAMANDOQSGPFX-ISJGIBHGSA-N 499.493 5.366 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1831840754 PJEUPEMSSVGHEM-YOEHRIQHSA-N 451.057 5.106 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831852176 UKHJNPHBQIPKSO-VWLOTQADSA-N 456.586 5.623 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1 1832087886 WZLQYUDZUNEXKQ-VWLOTQADSA-N 453.671 5.243 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)CC1 1832681329 BUBBJNOAJUSIRM-SXOMAYOGSA-N 464.650 5.477 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccc(OC)cc1 10231605 WNLNMAOEZJMCGA-UHFFFAOYSA-N 462.575 5.174 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)n(C2CCCC2)c1C 10407744 AOFZFAVRDZQBDS-UHFFFAOYSA-N 490.608 5.336 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10753814 BKKXOVVBIYDGQI-UHFFFAOYSA-O 482.815 6.687 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)nnc1-c1cccnc1 11188137 ARQJRIJMOHPGDH-UHFFFAOYSA-N 492.004 6.011 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccc(OC)cc1 11811354 SGOLHSMJBWEFFE-KRWDZBQOSA-N 483.663 5.443 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15247922 QLHFDAXBQQBBTI-UHFFFAOYSA-O 492.451 7.307 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247970 FTFLEOZDSCWQLZ-UHFFFAOYSA-O 458.434 6.629 30 20 JKED CC(C)c1ccc(CCNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 15690446 UXJDTZFNKOERRO-UHFFFAOYSA-N 457.599 5.385 30 20 JKED C[C@@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)Nc1cccc(C#N)c1 16543241 BWSAISIJQANFQI-LLVKDONJSA-N 460.382 5.035 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(F)cc1 22217365 KZENMWSJAUYAQI-ZDUSSCGKSA-N 461.360 5.152 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)Cc2nc3ccccc3s2)c1=S 23850825 UQELOZQNNCEFLF-UHFFFAOYSA-N 455.584 5.017 30 20 JKED CC(C)c1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)cs2)cc1 24156914 ZYRHJDONUUEKAH-LJQANCHMSA-N 461.587 5.355 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 25638543 YYDCRYBPARGWDT-CRICUBBOSA-N 480.659 5.155 30 20 JKED Cn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1ccc(F)cc1 28827489 JZSDIUMJMJANCV-UHFFFAOYSA-N 478.393 5.390 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@H](C)C(=O)NC1(C#N)CCCCC1 39534898 WGGUSYNVLFGZTO-QGZVFWFLSA-N 490.073 5.695 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCCC2)c1 71794239 CJVOJGUPJDOQGM-UHFFFAOYSA-N 496.032 5.574 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 106115764 UNLDHESJQOKITN-UHFFFAOYSA-N 498.612 5.531 30 20 JKED COc1cc(-c2nnc(S[C@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)cc(OC)c1OC 214411591 NNYOOEVFDYHKQZ-YZLQOSHFSA-N 495.601 5.124 30 20 JKED N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1 303028051 QKXIBUGTFLMVOF-LJQANCHMSA-N 457.382 6.042 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 303299714 COSLSNVWMZXJQJ-HNNXBMFYSA-N 457.477 6.539 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 483322088 LLBCIDHNRPPGDL-UHFFFAOYSA-N 463.537 6.075 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Br)cc3F)s2)c(C(F)(F)F)c1 487450935 QWIZAHBYAFISCS-UHFFFAOYSA-N 484.272 5.778 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CN3CCC(C#N)CC3)c2C#N)C(C)(C)C1 488684637 RTHNRFLBWHXVFO-PLNGDYQASA-N 476.671 5.942 30 20 JKED C=CCc1cc(CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc(OC)c1OC 497344385 GWUOEKRUFWRJLV-UHFFFAOYSA-N 497.945 5.032 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 501019921 KHCQMHUNONCWEG-UHFFFAOYSA-N 488.897 5.668 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)CC2)c1 501750707 WWAZVNVZKUTWIR-UHFFFAOYSA-N 485.396 5.479 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(CN(C)C)c2)c1 506773780 FOLKERWOERQCEF-UHFFFAOYSA-N 484.021 5.035 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c1 509223246 FRPLLYXKIUKQLZ-HXUWFJFHSA-N 456.546 5.270 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1Cl 510011487 UZHQBMXDKZOBSV-XMMPIXPASA-N 472.976 5.422 30 20 JKED COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 512806757 BCCASKSTLQETEW-UHFFFAOYSA-N 473.348 5.231 30 20 JKED CCOc1ccc([C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc2)cc1 515052079 INHNUFMALPKZJG-SANMLTNESA-N 496.567 5.327 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(OC)cc1 515918170 RYDYGVNDMZHYJQ-QFIPXVFZSA-N 463.921 5.219 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 518212251 ASZYDEHBJXOXHY-UHFFFAOYSA-N 496.571 5.505 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 518227191 ZOLWEJVNPFIJPU-UHFFFAOYSA-N 459.521 5.379 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cc1C 519351393 AXXOVMFZFHDKLL-IRLDBZIGSA-N 463.379 5.129 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 520835351 KNADLHPAGMYXCM-LIRRHRJNSA-N 462.402 5.488 30 20 JKED Cc1cc(C)nc(Sc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)n1 521326023 IZTHHGLXBKCPTE-UHFFFAOYSA-N 499.556 5.182 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(I)ccc1Br 524370538 QLMFNXUNMRTYAI-UHFFFAOYSA-N 498.162 5.369 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)cc2)c1 524386609 KLODSUQIEPLACL-UHFFFAOYSA-N 464.481 5.505 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(OCc4cccnc4)c3)cc2Cl)c1 524387419 CPWJSYXIFOAMAK-UHFFFAOYSA-N 469.928 6.017 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C 524388648 QNKNDYIMPZNNCC-UHFFFAOYSA-N 487.556 6.181 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)cc1F 524459045 SJFGNLQSKRLFDJ-UHFFFAOYSA-N 474.467 5.345 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)sc2nc3n(c(=O)c12)CCC3 524708131 XRHOOZNEMQJMMH-SFHVURJKSA-N 474.973 5.274 30 20 JKED C=CCN(C(=O)CSc1nnc(NCC)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 592080627 CJKWBBLHRYSQFY-UHFFFAOYSA-N 486.475 5.712 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(-c3ccc(Br)cc3)n[nH]2)c1 597858581 NPLRAVOJMQPJKO-INIZCTEOSA-N 484.423 5.279 30 20 JKED C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1=O 603672809 SLSRHPXFSZZNMG-KXBFYZLASA-N 498.530 5.173 30 20 JKED CCCOCc1ccccc1CNC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603904926 ZFPMSGHODVYURN-UHFFFAOYSA-N 461.587 5.037 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 608785264 IFQGYVJHARJLEI-UHFFFAOYSA-N 498.558 6.222 30 20 JKED Cc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)n(-c2ccc(C(F)(F)F)cn2)n1 608943372 IGIPWVXEMUIRGP-UHFFFAOYSA-N 477.446 5.298 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 609061651 GJRPZKMVXNGYTO-UHFFFAOYSA-N 475.907 6.454 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 609079302 VHCMIGDOQNTCTA-UHFFFAOYSA-N 477.568 5.442 30 20 JKED CN(C)CCOc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609079656 FZMUUESRFXGRSD-UHFFFAOYSA-N 478.980 5.053 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 609088653 HHKJJTRMIYCEIW-HXUWFJFHSA-N 473.529 5.197 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3SCc3cscn3)cc2F)c1 609104143 PUEFMBBSHQUZGK-UHFFFAOYSA-N 475.570 6.277 30 20 JKED CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609148247 JRWZUAAGJMZYBD-UHFFFAOYSA-N 477.609 5.410 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C 609152151 IBYCFWAAGGHFPC-NRFANRHFSA-N 470.573 5.560 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 609377219 RFYFNOKDXOYOJI-FPOVZHCZSA-N 457.599 5.582 30 20 JKED Cc1ccc(I)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 609378513 RDHRVBHEQFLCNE-UHFFFAOYSA-N 490.288 5.877 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)C2)c1 609381662 GELJHFOEZFNFSW-GOSISDBHSA-N 489.563 5.819 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2CC(C)C)nnc1-c1ccc(Cl)cc1Cl 614462484 AWBUEGLDBHYHBH-UHFFFAOYSA-N 465.410 5.021 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540474 QFMRTVTUEZWRSD-TXEJJXNPSA-N 474.327 5.486 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 620304270 QRQULOZDNPZYLT-HNNXBMFYSA-N 471.554 5.195 30 20 JKED Cc1nc(-c2ccccc2)sc1COC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 725920580 COZQMKVNZCYJRV-UHFFFAOYSA-N 474.542 5.198 30 20 JKED CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726073678 FFLIJRABMMVSCK-XMMPIXPASA-N 462.391 6.547 30 20 JKED N#C[C@H](C(=O)CCNC(=O)C1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 726321834 NSCAMZATZGBQRO-MRXNPFEDSA-N 450.391 5.380 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC[C@@H](C)OC)c1 726399258 NASRJISSLKREGK-HOYKHHGWSA-N 491.613 5.234 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1csc2ccccc12)c1cccs1 726414923 DKARUKYUQWIRLA-JTBRSFSVSA-N 469.657 5.193 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)Cc1ccco1)c1cccs1 726415215 FXZAVWXKNOKWOO-XXMNMSBWSA-N 481.643 5.040 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCC)cc2)[n+]2ccc(C(CC)CC)cc2)c1 726572691 JMEXRVRPSVLGID-UHFFFAOYSA-O 471.646 6.581 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 726754430 HIUXVJUPRRYJKR-UHFFFAOYSA-N 469.928 5.085 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c1 726885722 FVIDPRNNWKDDEO-QHCPKHFHSA-N 493.585 5.238 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cn1 726891617 PDLXJLUKEQQUBW-DHLKQENFSA-N 486.597 5.202 30 20 JKED COC(=O)Nc1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 727332451 AIILVUPIRZCCTK-UHFFFAOYSA-N 454.298 5.059 30 20 JKED N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 727952423 HOEJKMLRNNQWKS-FQEVSTJZSA-N 461.587 5.406 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3cc(Cl)c(Cl)c(C(=O)O)c3)cc2F)c1 728185413 QVCOUBAYYKBTBM-UHFFFAOYSA-N 495.315 5.082 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1Cl 728236376 ICZQAWWLOVVAOQ-VWNXMTODSA-N 459.933 5.518 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2ccccc2c1 728424829 IOCRCRSZLBWYBZ-KOSHJBKYSA-N 486.597 5.097 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C)n1-c1ccc(F)cc1 728704893 PADJPLJNYNMZEQ-UHFFFAOYSA-N 478.321 5.065 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729575252 GFSVIXPGIGRAHX-UHFFFAOYSA-N 451.567 5.603 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cocn3)C2=O)c1 730724205 LKILQGMOMQHKLW-DEOSSOPVSA-N 484.581 5.605 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3 730952119 LFDIIAXXZYCYAX-QGZVFWFLSA-N 462.571 5.331 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 730997341 SFDNXAPOSFZLFF-UHFFFAOYSA-N 465.862 5.074 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2)c1 731305965 QSPMMFMRANCJQM-JOCHJYFZSA-N 495.988 5.215 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2Cl)C1=O)Nc1cccc(O)c1 731308100 WWJCEXDQEUFMHO-NRFANRHFSA-N 483.952 5.345 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 731308328 NGPOECPXBMELAO-WZONZLPQSA-N 474.586 5.126 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1sc(-c2ccc(C)cc2C)nc1C 746596105 NVPCPPVYBGNCEY-IBGZPJMESA-N 477.586 5.236 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 748754888 JIOHUSJPIMMBFS-UHFFFAOYSA-N 498.568 5.248 30 20 JKED CCOc1cc(/C=C2\CSc3c(F)cccc3C2=O)ccc1OCCn1c([N+](=O)[O-])cnc1C 767909788 AJTSCCFBVQGKCJ-GZTJUZNOSA-N 483.521 5.089 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 837300570 HWQLAOWJYXHVJW-IQGLISFBSA-N 498.583 6.095 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837386612 SBZJBPCQKOURAQ-MBSDFSHPSA-N 474.586 5.120 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837638947 CCWRAFPSXTVWTK-JPYJTQIMSA-N 476.577 5.559 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@@H](c2ccccc2)C2CC2)C1=O 914540025 NLVUHJNAGIAHEA-QUCCMNQESA-N 462.402 5.212 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)cc1 914552223 WAJABGIVUCSXNB-HXUWFJFHSA-N 467.591 5.034 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc([C@H](C#N)c5ccccc5)cc4)cc3)o2)c1 915085550 NNNLSTKCLRWSEH-HHHXNRCGSA-N 470.532 6.620 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 915100244 NICMHBKUPJDNDI-MGPUTAFESA-N 453.976 5.451 30 20 JKED C[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)N1CCC[C@@H]1c1cccs1 915511926 JVPRASVMIWXFQK-WZONZLPQSA-N 460.555 5.108 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccc(O)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916155759 YOLBCXNSCVCVGG-VURMDHGXSA-N 477.469 5.041 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)c(Cl)c1 916204376 DHAJRLUSQNVBKJ-LJQANCHMSA-N 498.407 5.438 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2CC(C)C)cc1 916214850 PUDITSPJFUWDII-LJQANCHMSA-N 490.423 5.074 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1 916215700 XXRMSWSZVZUQCZ-OAQYLSRUSA-N 455.555 5.127 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NN(Cc3ccccc3)c3ccccc3)cs2)cc1 916249773 JTVOAIHUUWGTMO-UHFFFAOYSA-N 456.571 5.877 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1 916564693 YGTGFAKXYCGFRF-UHFFFAOYSA-N 460.939 5.092 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 916893795 HTKRPBSEOFSNBF-JOCHJYFZSA-N 450.947 5.602 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1 916903927 YBDQLUUQQCWBRH-GOSISDBHSA-N 486.018 5.675 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1 916952633 MIKMRORUBXKCMT-LJQANCHMSA-N 478.961 5.078 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)c1 916975919 GPULORZVNJYABJ-DENIHFKCSA-N 478.017 5.809 30 20 JKED Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)C4CCOCC4)cc3)sc2c1 917511241 HWPJAUKHJLNUGU-UHFFFAOYSA-N 451.617 5.651 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cs1 917559077 DPOSCLHSWLNVBM-UXBLZVDNSA-N 465.550 5.008 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc(Cl)c1 917679259 HHRQBKUXPRLPHM-JOCHJYFZSA-N 486.037 5.067 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)cc1 917681323 OSOJZVPQGKMLQK-HSZRJFAPSA-N 458.587 5.113 30 20 JKED COc1cc(C=NNCc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 918152673 JWCDWIYWNQTWBR-UHFFFAOYSA-N 491.897 5.509 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 918483736 NLCUPHVIJXQZFZ-QHCPKHFHSA-N 493.903 5.381 30 20 JKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918671352 NNPGTIZJKOYXMD-DQOPJHAQSA-N 487.284 6.327 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)CC1 919707809 GZBHLQHPZRZDKK-UHFFFAOYSA-N 493.498 5.123 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc3ccccc3c2)no1 920359564 OJKPSXDKJUBMAP-HSZRJFAPSA-N 488.544 5.436 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1 920714136 SWYUTCAKXDBMKE-UHFFFAOYSA-N 470.909 5.683 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920803950 HMKPRKIQCQWKRK-MRXNPFEDSA-N 469.513 5.603 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 920876314 HQRZGBPQSYDWNL-INIZCTEOSA-N 456.926 5.641 30 20 JKED CC(C)(C#N)c1ccc([C@@H](Sc2ccccc2)c2c(N)cnc3ccc(Br)cc23)cc1 953066328 VTNFEZGPVROELE-RUZDIDTESA-N 488.454 7.262 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)cc2)CCC1 1785816602 WKBUSEDVJIWHRF-PWRODBHTSA-N 483.653 5.368 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)cc(C(F)(F)F)c1 1785936111 KVGGFAQPTKSDDB-UHFFFAOYSA-N 459.468 5.011 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3Cl)CCC2)cc1 1786393659 KLYUFOXMAHEALU-KRWDZBQOSA-N 496.858 5.200 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(Br)cc45)cc3)CCC2)C1 1788442042 CFWBLVLQYAEGJR-UHFFFAOYSA-N 479.378 5.039 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)oc2ccccc12 1788968244 OGZXXDSGLNRYGD-UHFFFAOYSA-N 479.536 5.440 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)c1 1789370237 ZXMHUTKDGYTIIE-QGZVFWFLSA-N 468.582 5.918 30 20 JKED COc1cc(OC)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1790278368 QUVNCAOFQVAODO-IBGZPJMESA-N 483.568 5.392 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3C3CC3)CCC2)cc1 1790519531 DUTJERFEIOHGPZ-ZLNRFVROSA-N 481.637 5.026 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc(C(F)(F)F)c4)cc3)CCC2)c1 1790647559 FGLCWCUKKPYBFB-UHFFFAOYSA-N 470.426 5.106 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4cccc(Cl)c4)CCC3)cc2)cc1 1790705037 CLTNRTTVEVNWBJ-UHFFFAOYSA-N 473.960 5.233 30 20 JKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1)c1ccc(O)cc1 1790707852 QPBPSLIZIFZOHA-LJQANCHMSA-N 453.542 5.010 30 20 JKED CCn1nc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)c2ccccc21 1790762650 MVANOABEJLSZHG-UHFFFAOYSA-N 481.531 5.128 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cc4ncccc4[nH]3)cc2)CCC1)c1ccc(O)cc1 1790843053 XHAVNJWHVAHTOZ-NRFANRHFSA-N 492.579 5.213 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nn3-c3ccccc3)CCC2)cc1 1791299681 XHFIYWFPWXHXEB-UHFFFAOYSA-N 464.516 5.140 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CCC2)cc1 1791593420 QKMPDLCUUGBJLB-UHFFFAOYSA-N 470.451 5.079 30 20 JKED CC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1 1792136392 BPYSWHBTEMHPAB-IBGZPJMESA-N 480.568 5.334 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)cc4C(F)(F)F)CCC3)cc2)CCC1 1792227584 AEOOCNOKWPZIOJ-UHFFFAOYSA-N 473.470 5.215 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)ccc2s1 1798080229 JNNWQPRMDROIDJ-YRPNKDGESA-N 487.463 5.684 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3C(F)(F)F)[nH]n1)C2 1798333229 TXFHOLUDAHNQQY-FCGDIQPGSA-N 486.538 5.116 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(C(F)(F)F)coc1C)C2)c1ccccc1 1798553189 LAPKYSLESNINAW-WOZUAGRISA-N 472.507 5.056 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3occ(Cl)c3c2)cc1C#N 1799329790 XVCNKRZZHRVPJB-WKCHPHFGSA-N 491.975 5.311 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@H]42)C3)ccc1Br 1800632170 GUWZZSKSZXRWNZ-CJHLONAUSA-N 498.465 5.179 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)c1Cl 1801079028 BXTWOHXOGASHNP-ACDBMABISA-N 498.970 5.519 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)[C@@H]1c1cccnc1 1802502614 KQISOKOTSLSDPU-NYEVAOKNSA-N 471.645 5.202 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1802741139 FYNPGXUPBTXWGA-DVECYGJZSA-N 493.394 5.202 30 20 JKED N#CCCC(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803223987 YUXUZFTVIAAHGP-MAGBQMITSA-N 479.024 5.019 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)sc2Cl)C3)cc1C#N 1803842507 DNCQXMMLFBESPI-BJWYYQGGSA-N 492.428 5.279 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccnc4-c4ccccc4)CC3)C2)c1 1805327250 DEWZZHYPWFMEJI-UHFFFAOYSA-N 492.623 5.098 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1 1805937195 AGSXUEJCYTTWKX-HXUWFJFHSA-N 495.586 5.060 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1808159431 KZUIIIIGJBHSMF-LVXARBLLSA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1809338547 ZVVARYNANMYRKV-URXFXBBRSA-N 476.646 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1810182003 NLTLDZLGIWPHKE-WZOHSFFVSA-N 477.008 5.304 30 20 JKED C#CCCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 1810387663 WSIULLAALVLRHG-UHFFFAOYSA-N 483.534 5.026 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@@H]1c1cccnc1 1811272858 JFHOKKGFIGBXGY-FIPFOOKPSA-N 494.595 5.336 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1811831517 GUDYUCMCTLRSLJ-SIKLNZKXSA-N 474.432 5.700 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3occc3n2-c2ccccc2)[C@@H]1c1cccnc1 1812592365 UEIPZIWDIGSKSB-DVBNTOJCSA-N 482.584 5.150 30 20 JKED CC(C)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1812600423 IBYKOIGLOFHBMA-PQHLKRTFSA-N 479.624 5.237 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)Cc3ccc(CCCCC)cc3)[C@@H]2c2cccnc2)C1 1812957802 XYGZQIGSDPHZBB-NAKRPHOHSA-N 459.634 5.029 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1812959193 NAWASVMCCHWILH-OFSOJUDTSA-N 473.661 5.256 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)[nH]n2)C1 1814397665 QQLANKCSRLQTPG-OAQYLSRUSA-N 497.571 5.168 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(C(C)=O)cc2)n[nH]1 1814959385 BTYHSDZXJQNTEW-UKILVPOCSA-N 492.620 5.232 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1815248079 ZNAWQDNQTVQIAJ-MAUKXSAKSA-N 499.862 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(F)cc3)CC2)n[nH]1 1815627618 YEWJXDPNTPHYMG-IRLDBZIGSA-N 450.558 5.041 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)s1 1816354530 XGMOBNRJFTZVBZ-SFHVURJKSA-N 487.507 5.290 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(C(F)(F)F)o1 1816472523 UWXQFORFWYYMLX-VBKZILBWSA-N 499.493 5.577 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1817099944 RGPIANZVYWBDTI-OAHLLOKOSA-N 480.384 5.216 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817947162 BRDFBACJIDNOQP-FQEVSTJZSA-N 465.985 5.352 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3ccccc3)n[nH]2)c1 1818228789 UMSKJKHEVKRULP-RUZDIDTESA-N 490.567 5.272 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)n[nH]1 1818434445 FCAGDZXJXCLQNN-HXUWFJFHSA-N 465.941 5.132 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818605555 NEJDAPLBYXRDTI-NRFANRHFSA-N 463.969 5.111 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)[nH]c12 1819026355 JYUJZGXMKAZJND-HOYKHHGWSA-N 480.572 5.446 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1819367179 OJMFGYAXNYNORP-DNQXCXABSA-N 488.588 5.081 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820962414 FQBSHZPPHBKZCB-PZJWPPBQSA-N 474.646 5.296 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1820971995 DINCWEZYHRYKAI-CVDCTZTESA-N 489.576 5.309 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)cc(Cl)cc3Cl)n[nH]2)C1 1821202022 MVUGQCYZCXPNDM-KRWDZBQOSA-N 451.329 5.128 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Br)c(Cl)cc3F)n[nH]2)C1 1821236521 GZCHBRHHYVZWII-SFHVURJKSA-N 495.780 5.237 30 20 JKED CCCC[C@H](CC)COC(=O)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC#N)[nH]n2)cc1 1821242780 NEGKEBCZLXMOBS-WMZHIEFXSA-N 493.608 5.002 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccccc3c2Br)n[nH]1 1821533177 RZMAFOHGBWXVOG-NRFANRHFSA-N 493.405 5.435 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)n[nH]2)C1 1821787453 QJLKLAJHUPYABM-IIBYNOLFSA-N 474.527 5.277 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1822393556 ZOLUCSZDMZNUKF-DEOSSOPVSA-N 458.537 5.325 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823214724 IWAUUXLFHVCIOW-KAOUHBFBSA-N 499.640 5.957 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)[nH]n2)c1 1823215842 HFQDPRDKOFSJFU-SZNDQCEHSA-N 481.478 5.074 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCC(F)(F)C2)CC1 1823692495 GBGDQFYQKMJBIB-FCHUYYIVSA-N 466.689 5.093 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(Cl)c3)CC2)C1 1823701588 NKIZNQWHWIDHIP-NRFANRHFSA-N 479.846 5.302 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc4ccc(Br)cc34)CC2)C1 1823702318 YZZKPGSTFSQVIX-XMMPIXPASA-N 496.449 5.197 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1823714341 MCALMEWQIRSLKY-LSYYVWMOSA-N 498.614 5.533 30 20 JKED O=C(C1CCC(F)(F)CC1)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055993 LHKKZRDHKJPTSV-QHCPKHFHSA-N 476.995 5.137 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)CC1 1824142076 FKGDTQZBEJVZLD-URBBEOKESA-N 464.675 5.262 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 1824239728 USYDJEPAABCUCJ-ONJIFJTESA-N 470.604 5.456 30 20 JKED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824247609 XSVMJSGQOWZCES-VXGAEGAXSA-N 499.095 5.272 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1824497216 IYVVXVBCHRTIQL-AREMUKBSSA-N 481.612 5.037 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1824501917 ZICLGZFKHJJSIH-SANMLTNESA-N 486.722 5.221 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCOc3ccc(Cl)cc3)CC2)c1 1824989502 SSBYAMJCLBYRJY-SANMLTNESA-N 494.035 5.304 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2nc(-c3ccccc3)sc2C)CC1 1825102206 NQCPFVCFTZEKIX-DEOSSOPVSA-N 497.730 5.200 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccsc3)CC2)cc(C(F)(F)F)c1 1825796397 KKNSZCZPYQUPNX-NRFANRHFSA-N 475.536 5.186 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c(C(F)(F)F)o1 1825960705 KAZOBOIVXXKRMY-OAQYLSRUSA-N 473.495 5.026 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 1826420931 BRTWWSZAWXEEFK-CPPMQADQSA-N 468.682 5.009 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)CC2CCOCC2)CC1 1826735826 CUYFWNKJWZZBTJ-SSEXGKCCSA-N 498.667 5.136 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 1828820827 GDYHQBNRRIDQJV-DQEYMECFSA-N 482.665 5.025 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1 1828820854 GMODWLZWXMLNEB-LADGPHEKSA-N 461.021 5.410 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1828823139 QDUMSLDULKKILH-IZZNHLLZSA-N 480.649 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1829066819 UVDMAMAGGVQAQR-SANMLTNESA-N 477.649 5.475 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1829068505 AHJQABHVIKOQRK-MHZLTWQESA-N 473.661 5.974 30 20 JKED CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830362724 CUPOTBFUTVSGHU-AHKZPQOWSA-N 475.608 5.053 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1830663928 ZVKUNMIQTNKRRH-XMMPIXPASA-N 497.998 5.297 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)c1 1830718878 NPEQVVKHCBGXEO-VWLOTQADSA-N 494.010 5.316 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccncc34)CC2)c(Cl)c1 1830722500 KICCLTSUHKODHC-SANMLTNESA-N 487.003 5.307 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c(C)cc2OC)CC1 1830784839 CNSNSAKNYYQPQY-UKILVPOCSA-N 452.639 5.314 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)cc1)C(F)(F)F 1831237294 GCRWCSSSHFMHCT-CVDCTZTESA-N 489.582 5.208 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1831371300 XAYYPTOOTPPUDN-JPYJTQIMSA-N 470.013 5.441 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1831595197 ZQMSIWKMWWQFQM-MUUNZHRXSA-N 471.645 5.087 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccs2)CC1)c1ccc(O)cc1 1831924608 IWIWEUCDXYDPBD-SQHAQQRYSA-N 492.685 5.203 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccsc2)CC1)c1ccc(O)cc1 1831926115 XTTHBWBMGTURDW-XNMGPUDCSA-N 492.685 5.203 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)c1 1832634821 WFBHNGPMHOTXCY-CUNXSJBXSA-N 487.644 5.486 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 1832707902 NUOMSTRUSPGZTJ-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCCCC3 9194231 MCXWWHSFHIPFOZ-UHFFFAOYSA-N 450.589 5.255 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(O)c2)cc1C 10174134 MUAPGGNQZCVUTB-UHFFFAOYSA-O 475.512 5.554 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(OC)cc1)[n+]1ccc(Cc2ccccc2)cc1 10174413 UUVLKSILPQZBJZ-UHFFFAOYSA-O 481.641 6.187 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2Cl)cc1 10827181 NUUIWXLCJPCBQQ-UHFFFAOYSA-O 452.043 6.754 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 11169019 MNQRCBKESQEETN-UHFFFAOYSA-O 467.614 5.933 30 20 JKED C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccc(F)cc1 14081640 UGEHWPIOGHXABP-UHFFFAOYSA-N 467.595 5.203 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nnc1-c1cccnc1 16621428 RMOZYDNDNYHISJ-UHFFFAOYSA-N 475.622 5.052 30 20 JKED C=CCn1c(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2scc(-c3cccs3)c2c1=O 16663504 VNBRJGPENZFGIO-UHFFFAOYSA-N 499.042 5.555 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 16879018 FFMKVUQVXJCVPF-QFIPXVFZSA-N 480.684 6.004 30 20 JKED Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1 17106054 ONZXGJQBTCPXFZ-INIZCTEOSA-N 451.621 5.206 30 20 JKED C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nnc1-c1cccc(C)c1 21334006 WNBDTWWOXUFPIS-UHFFFAOYSA-N 470.558 5.745 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nc2cc(Cl)ccc2c1=O 22062386 SMQQLTWKKMITOB-UHFFFAOYSA-N 499.217 5.383 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 22733486 XAQGRQDEDSONSA-UHFFFAOYSA-O 481.663 6.070 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1ccc(Br)cc1 24015690 PRSCZMRCNHPACH-CQSZACIVSA-N 489.464 5.735 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nnc1-c1ccc(OC)cc1 27594286 RBAVTWFZEOPYRZ-UHFFFAOYSA-N 480.615 5.573 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 28629340 ZLXJFHPQAGVZHL-UHFFFAOYSA-N 482.613 5.044 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc3c(c2)CCCC3)c1C 28793789 RZBWEJZZVIGYBD-UHFFFAOYSA-O 478.613 5.499 30 20 JKED COc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCCCCC4)cs3)s2)cc1OC 29637951 NWWABPCOSKGYKJ-UHFFFAOYSA-N 472.636 5.605 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c2ccccc21 255927554 YICCMWQCVHZSJR-UHFFFAOYSA-N 467.348 5.342 30 20 JKED C=CCn1c(SCc2nc(N)c3c4c(sc3n2)CCCC4)nnc1-c1ccccc1F 302864111 FXOCNUOOHZVLJF-UHFFFAOYSA-N 452.584 5.028 30 20 JKED C[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C(c1ccccc1)c1ccccc1 409523604 UHJWTWZQAOZISG-OAQYLSRUSA-N 466.585 5.139 30 20 JKED CC[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1OCC(=O)N1CCCC1 482783282 UECLBXJCPZRCLA-SANMLTNESA-N 483.568 5.233 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)CCc2ccco2)nnc1-c1ccc(Cl)cc1Cl 483039689 KINDPJAIDOIHDQ-AWEZNQCLSA-N 465.406 5.261 30 20 JKED C=CCOc1c(Br)cc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cc1OCC 489344734 LEAVSRDAQUOSIP-XMMPIXPASA-N 494.389 5.574 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 502131167 WMBCDMMRGNXOTC-UHFFFAOYSA-N 493.354 5.700 30 20 JKED Cc1ccc(CNC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)cc1F 503073282 KUCSTAGWCGKPKT-UHFFFAOYSA-N 480.771 5.336 30 20 JKED CC[C@@H](C)n1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1 504278347 BUWORAVQDQEWGM-OAHLLOKOSA-N 451.621 5.459 30 20 JKED N#Cc1cc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)ccc1OCC(F)(F)F 510807956 VVABGAMDKZNUPQ-UHFFFAOYSA-N 485.409 5.823 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)cc1 511740599 KGXKIJTXPYPEHQ-UHFFFAOYSA-N 463.628 5.395 30 20 JKED C=CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@H]1COc2ccccc2O1 514651570 IZIWRNCTKDARSW-MRXNPFEDSA-N 464.425 5.055 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3C)n2Cc2ccco2)c1 514961238 MWUDLTSOTWUFOU-QFIPXVFZSA-N 499.640 5.939 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 515157173 KAAXODOKWLOTEU-HXUWFJFHSA-N 490.387 5.052 30 20 JKED CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2cccs2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 515430137 RABWAVBOYFJPIM-GFEQUFNTSA-N 457.669 5.104 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 515571917 AMLXLKFTERXKCM-KRWDZBQOSA-N 486.410 5.111 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)nnc1-c1ccc(Cl)cc1 515613816 VSHUXLOCUPWRKB-QZTJIDSGSA-N 498.052 5.129 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc2)cs1 515675904 ZXXSFEMAIJGMPC-UHFFFAOYSA-N 484.606 6.120 30 20 JKED N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(F)(F)F 516023288 ANLDOELLRIOZTK-KRWDZBQOSA-N 486.277 5.108 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 518264686 QLXGTWLCQLTQAY-IBGZPJMESA-N 457.599 5.765 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 519413095 ATZKJZTURQXLNU-INIZCTEOSA-N 474.611 5.069 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 519413454 WQJOSETUJAEJHC-OAHLLOKOSA-N 488.038 5.030 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1nnc2n1CCCCC2 519899592 WDHOIDZROKDSSC-KRWDZBQOSA-N 469.314 5.188 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 520141515 UKLXRFNQMZVLAV-IXCJQBJRSA-N 483.568 5.290 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C(=O)N4CCc5ccccc54)CC3)c2)cc1 520440577 GJSWJFBRHVENKM-UHFFFAOYSA-N 494.595 5.165 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 520923292 JLHPLIGCOFCAOQ-GFCCVEGCSA-N 455.483 5.739 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 520933131 SLTKFTMMGHCIPW-KRWDZBQOSA-N 456.011 5.301 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 521260993 LLDNEJYAYJWJOW-NVXWUHKLSA-N 459.413 5.101 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)nnc1-c1ccoc1C 590612301 OGSAPGIQIZQSOQ-UHFFFAOYSA-N 490.589 5.085 30 20 JKED N#CCN1CCC(NC(=O)Nc2cc(Cl)ccc2Oc2ccc(C(=O)c3ccccc3)cc2)CC1 593445926 LEEABXRVGMGKBB-UHFFFAOYSA-N 488.975 5.473 30 20 JKED CSc1ncc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)n1-c1ccc(F)cc1 603449375 UNVZNZCZVILNFY-UHFFFAOYSA-N 482.591 5.001 30 20 JKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc(OC)c1OCc1ccccc1 603530649 RTWOVTMOGUYSGT-UHFFFAOYSA-N 458.558 5.453 30 20 JKED Cc1nc(-c2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)s2)cs1 603831119 NGQFVTJUHONHBL-UHFFFAOYSA-N 474.611 6.147 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)no1 603995388 JWQISAFHKFPMBX-UHFFFAOYSA-N 469.526 5.047 30 20 JKED CCCc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1Cc1ccccc1 603995949 SZPJWCBWQUEDLG-UHFFFAOYSA-N 463.541 5.260 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 608879247 VTBNGWFGOVCWEG-NRFANRHFSA-N 483.637 6.426 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 609061146 SYOCVKYIPRMKAE-DEOSSOPVSA-N 485.559 5.005 30 20 JKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1OC 609063035 SKTCKQIBVRXRRQ-UHFFFAOYSA-N 452.894 5.069 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)c1 609066881 ODWUMIQQJCRIHL-UHFFFAOYSA-N 487.304 5.239 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cccs2)cc1 609436120 VHQSFVGFLQONDH-CEYNDMKZSA-N 491.682 6.500 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc(OC(F)F)c2)nnc1-c1ccc(Cl)cc1 611856599 OZMQLVUMHSQZDQ-CQSZACIVSA-N 478.952 5.355 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccc2ccccc2n1 613292735 TWNJSUNJLGOQQB-FQEVSTJZSA-N 470.326 5.740 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 613401815 OHSLOHNWJTYKRD-SFHVURJKSA-N 451.860 6.154 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(F)cc2)c1 614929666 IVVOMNMJHSOLFB-UHFFFAOYSA-N 458.942 5.137 30 20 JKED O=C(Nc1ccccc1Oc1cccc(F)c1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618607809 CCBBXHAGGSZVIE-BETUJISGSA-N 478.364 5.146 30 20 JKED Cc1noc(CSc2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 620304103 BAQJSKUJSOTWMS-HNNXBMFYSA-N 468.510 5.562 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 642158522 SGMXVPWOCAVROP-IAZYJMLFSA-N 491.329 5.670 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccncc1)CCCCC3 725743081 RDSGFTUHBXUNRY-UHFFFAOYSA-N 480.597 5.165 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccc2Cl)cn1 726116983 OXCSRKHYHJDMBI-QFIPXVFZSA-N 496.036 5.334 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414669 DDCVPNQGUHASGF-YKSBVNFPSA-N 497.661 5.476 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccs1)c1cccs1 726419734 GQUDSNJBMWJJRZ-ZIAPORJASA-N 491.610 5.678 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(Br)cnc3Cl)c2C#N)C1 726498153 JGQPYCYUYUWWLX-JTQLQIEISA-N 452.805 5.834 30 20 JKED N#CCCCOc1cccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)c1 726743289 BYDQAYVZZZMSNH-DEDYPNTBSA-N 482.392 7.137 30 20 JKED COC1CCN(c2ccc(N=Cc3cc(Br)ccc3O)cc2C(F)(F)F)CC1 727973231 VNOKGPCLUVNUGN-UHFFFAOYSA-N 457.290 5.539 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1 728675858 VVHCZSOECPVQNB-UHFFFAOYSA-N 491.516 5.554 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)cc1 728776751 DVEZSYROQNKLJY-XMMPIXPASA-N 470.598 5.802 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1OC 729435531 WMZXFNKCNBEUBC-KRWDZBQOSA-N 487.940 5.113 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ncccc2C)cc1 729634862 VREBDKWGGAVHBE-QFIPXVFZSA-N 495.004 5.213 30 20 JKED COc1cc(/C=C/C(=O)c2cccc(NS(C)(=O)=O)c2)ccc1OCc1ccc(Cl)cc1 729820384 PMFOVVHXXJBQOI-XYOKQWHBSA-N 471.962 5.195 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CCC3)C2=O)cc1 730459741 MZJGAVIGCJZODU-FQEVSTJZSA-N 490.551 5.284 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 730461374 NIOLVBAVUNWLCX-GOSISDBHSA-N 493.372 5.414 30 20 JKED COCCOc1ccc([C@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)cc1 730512164 FDMFYKKRDRUDNQ-XMMPIXPASA-N 480.561 5.179 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)o2)cc1 730584532 UFYPHMGMGWWNQD-UHFFFAOYSA-N 490.328 5.503 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 730995007 NBRHOAPTALDKMB-UHFFFAOYSA-N 489.133 6.972 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1cccc(Cl)c1 731071052 OMBSFGQCUYGDSK-KRWDZBQOSA-N 497.020 5.696 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2)cc1 731306999 ZDZNMOVYBXOXFB-JOCHJYFZSA-N 490.972 5.078 30 20 JKED COc1cc(/C=C/C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1c(C)noc1C 731335477 QNWVSMBJHBOANH-DPCFLFMUSA-N 477.586 5.925 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 746061485 CLIONWXEHSLPHH-UHFFFAOYSA-N 454.603 5.453 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2cccc(C)c2)n1 748036787 QYNULWYIEOZDQA-QHCPKHFHSA-N 488.613 5.176 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)c4cnc(C)s4)c3C#N)C(C)(C)C2)o1 748882058 CLHVHAQPKAFCHH-VURMDHGXSA-N 493.610 5.860 30 20 JKED N#Cc1ccc(CN2C/C(=C\c3csc([N+](=O)[O-])c3)C(=O)/C(=C/c3csc([N+](=O)[O-])c3)C2)cc1 749454480 ZYIPXPQTXKGRAL-OGBZJDJUSA-N 492.538 5.050 30 20 JKED CC(=O)N(c1nc(C=NNc2ccc(OC(F)(F)F)cc2)cs1)c1ccc(F)cc1F 812461198 JTMWEEOKJZLSGO-UHFFFAOYSA-N 456.396 5.451 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2ccccn2)cc1 838038395 ZURYUWJNULCURX-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)c1C#N 857846128 HJJPCDVZFOGSFV-HZPDHXFCSA-N 459.571 5.128 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(C)Cc2ccccc2C(F)(F)F)c1=S 887563042 DFCWQAKUVGPINY-HXUWFJFHSA-N 476.524 5.221 30 20 JKED COc1cc(/C=C\C(=O)Oc2c(Cl)cc(C#N)cc2OC)ccc1OCc1c(C)noc1C 896774188 GIFLXWWAUNUDDK-VURMDHGXSA-N 468.893 5.032 30 20 JKED N#Cc1ccc(N2CC[C@H](c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)C2)c(F)c1 904480135 TUBWDDBEVVLDCB-NRFANRHFSA-N 464.504 5.139 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N([C@@H](C)Cc2ccco2)C1=O 914694449 KEPWLRMKZOQJKZ-MBSDFSHPSA-N 477.586 5.188 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101890 NZSQLOFSPBRPGR-MOPGFXCFSA-N 470.019 5.191 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CC3CCC3)C2=O)c1 915116005 BYKKDWPPXHLFQO-OAQYLSRUSA-N 488.009 5.118 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S 915796052 RMQXRUIMVJZKRJ-UHFFFAOYSA-N 453.015 5.618 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1Cl 916056773 HRCUYSXDHJAFDY-LJQANCHMSA-N 478.339 5.896 30 20 JKED CCOc1cc(/C=C2/CN(C)C/C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O 916135398 XXDKFHQFTHGKFE-DQCYIKBWSA-N 478.372 5.184 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CC3)C2=O)c1 916209879 UCLSANOLCSKGGN-LJQANCHMSA-N 459.518 5.028 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916885262 QZFPPDXPHPHNEV-SFHVURJKSA-N 483.380 5.723 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 916909218 SCJUFBBBVSJWMU-HXUWFJFHSA-N 485.531 5.844 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(-c3ccccc3C)n2CC)cc1 916955233 NRRFLPRGDVRUTL-HTAPYJJXSA-N 475.618 5.227 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995792 HQMMEJGZDOMRKY-MRXNPFEDSA-N 463.773 6.610 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1 917424079 AYNWUEYKHNPVDH-MRXNPFEDSA-N 455.898 5.063 30 20 JKED CCOc1cc(/C=C\C(=O)c2cn(C)nc2C)cc(Br)c1OCc1ccccc1 917520429 OCXCPAZFNLVFSQ-KHPPLWFESA-N 455.352 5.365 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc3ccccc23)n1 917652569 NOFLZUZGDHALCK-DEOSSOPVSA-N 499.571 5.238 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccccc2Br)o1 920104443 SEAYEAJMJKAHMP-KRWDZBQOSA-N 476.330 5.418 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)n2)cc1 920141385 NZBLYFFNCFBZEM-DEOSSOPVSA-N 490.563 6.778 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)n2)cc1 920141960 JEUZCEZTIYOQML-SFTDATJTSA-N 482.005 5.493 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 920142126 SJWLZOXUSJLXER-QGZVFWFLSA-N 477.958 5.354 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3c(C)noc3C)C2=O)c1 920355798 OYQCRNWRZDGWPV-NRFANRHFSA-N 498.992 5.114 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805535 DCIXRTNISQJJBN-MRXNPFEDSA-N 470.497 5.335 30 20 JKED CCc1cccc(CC)c1NC(=O)COC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 920894291 NZOKTFVWVYJVIR-UHFFFAOYSA-N 458.562 5.001 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3C(F)(F)F)CCC2)cc1 1785934106 RUOMLTIZULMASE-UHFFFAOYSA-N 461.459 5.071 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(NC(C)=O)c3)CCC2)cc1 1786103475 XUOLQJIYTITFJQ-UHFFFAOYSA-N 475.589 5.170 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1 1788650029 QVEDTTKWVQVDOI-ZHACJKMWSA-N 470.550 5.681 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789153357 BTVPHOSVRYIBFL-VSDWSMLSSA-N 467.997 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1789448625 FCMJHGRIUGJOGJ-DNQXCXABSA-N 495.664 5.679 30 20 JKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)cn1 1789507716 OKBPCGVBUHUAGQ-UHFFFAOYSA-N 461.682 5.118 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4Cl)cc3)CCC2)c(Cl)c1 1789680830 XHUKZQCVCWPKSS-UHFFFAOYSA-N 465.340 5.322 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c(C)n1C 1789975183 UHAMLYCIBMZVIT-UHFFFAOYSA-N 463.698 5.441 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)oc4C(F)(F)F)CCC3)cc2)c1 1790074050 QXHFHGHUOFKWRG-UHFFFAOYSA-N 497.473 5.549 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCCC(=O)Nc4ccccc4)CCC3)cc2)c1 1790795236 LJQSTYWNJMPQAB-UHFFFAOYSA-N 494.595 5.423 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CCC2)cc1 1791584865 ZQWKBKRCTUMMGC-NZQKXSOJSA-N 483.653 5.254 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)sc1C 1792125126 RXNKLGHRHNUQAU-MRXNPFEDSA-N 458.587 5.449 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(Br)cc34)CCC2)cc1 1792264025 UPTSFEDTNNCZBQ-UHFFFAOYSA-N 464.363 5.092 30 20 JKED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1799280468 ACSXJQBSHGWFJH-DQEVTTJGSA-N 468.585 5.323 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCC(=O)OC(C)(C)C 1800206216 TUKRMYBNTDIELH-NUNAXRQHSA-N 460.659 5.075 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@H]1CCCCC1(F)F 1800505284 WNVIQELTKVYHFO-XDZVQPMWSA-N 476.567 5.164 30 20 JKED CCCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)cc1 1800740769 FPKLLFBVYYQLSB-NUNAXRQHSA-N 469.507 5.095 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c[nH]c3c(Cl)cccc23)cc1C#N 1801107948 SCMRELVVLPYFTJ-ACDBMABISA-N 490.991 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1802376452 NGFODGWGGPVGNJ-QFZWGZQFSA-N 477.008 5.304 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(CCCCC)cc3)[C@@H]2c2cccnc2)C1 1802405463 CKFITKIKSDGUHN-WNOVHWRBSA-N 471.645 5.500 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]31)C2)c1ccc(O)cc1 1802415522 HJJAPIJXGSMZQW-NSYQFPMCSA-N 476.661 5.134 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1802626031 DOCRFEBMLAPIAM-WKCHPHFGSA-N 464.606 5.085 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803219882 HEORFTJQYNSAKK-ANQYBJAXSA-N 478.036 5.128 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ncc(Cl)cc4Cl)C3)CC2)c1 1804742671 HIHQNRVAFXGYDV-KRWDZBQOSA-N 485.415 5.174 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1805680380 ZYYVQGZYRGSJDK-WIOPSUGQSA-N 463.622 5.369 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4cc(Br)ccc4c3)CC2)C1 1806026659 BGFFZFRDPWCYIG-LJQANCHMSA-N 499.449 5.038 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C4CCC(C(F)(F)F)CC4)C3)CC2)c1 1806473071 UOLJMESCHGZGNV-RZFJCUDFSA-N 489.582 5.527 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)C2)CC1 1807424362 GGLPBLMNERJSOT-UHFFFAOYSA-N 455.549 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccnc(C(C)(C)C)c4)C3)CC2)c1 1807443250 VKCXRISSGFEWTA-OAQYLSRUSA-N 472.633 5.165 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)ccn1 1807444215 FCLKVTILPWAGJE-UHFFFAOYSA-N 481.757 5.275 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807837521 SLJCJSSSMSJTDT-LEAFIULHSA-N 496.655 5.764 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC2(CCCN(C(=O)C3(C(F)(F)F)CCC3)C2)CC1 1809605934 GZRYWJWTBUIZHR-UHFFFAOYSA-N 494.451 5.422 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1810271773 JXDXCRXEBXYYMI-OFVILXPXSA-N 482.100 5.106 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1810494055 CKHRUDSGIAFVTJ-LEAFIULHSA-N 496.655 5.764 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1812697815 NLFBLKCJFYIBAI-WBWMCNGVSA-N 490.648 5.276 30 20 JKED CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1813865292 PJRARTXGIXORPX-RGVCCXDYSA-N 480.612 5.222 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814110065 CPDHHKCLYUWMLF-BHBYDHKZSA-N 473.661 5.474 30 20 JKED N#CCC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814162893 XYQBMRPJLXQRDO-LITSAYRRSA-N 474.649 5.365 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1814258424 RZSPWPPRDKJFBQ-LGBWXGKCSA-N 484.644 5.583 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)c1 1814740686 OKJWVSSFHFYNBR-QFIPXVFZSA-N 495.505 5.239 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1815658940 KKMRLLRRZGQXCO-HSZRJFAPSA-N 460.603 5.302 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2coc(C(C)C)n2)n[nH]1)c1ccccc1 1816093352 XTYGIJPKHSUZGS-OFNKIYASSA-N 473.577 5.024 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccnn3C)c(Cl)s2)n[nH]1 1817773465 CEZGAVHHHBZIKE-KDOFPFPSSA-N 487.029 5.043 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1819305829 OYHMQAJSFCWIQP-DYESRHJHSA-N 491.558 5.885 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(CC#N)cc2)CC3)cc1 1819705165 ZEDKAHQTONPDAA-GUCAUAJOSA-N 488.638 5.049 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115746 HMWFMQWTXSHGCN-FQEVSTJZSA-N 486.601 5.475 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cccnc34)[nH]n2)c1Cl 1820219820 YUEIHTPZYBPPLI-NRFANRHFSA-N 484.947 5.103 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c1Cl 1820221476 VYDZHRFUVCGTKD-IBGZPJMESA-N 486.334 5.347 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821026975 PMKZWAMZTXVHLD-OAQYLSRUSA-N 489.016 5.139 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2C)[nH]n1 1821987373 ROXCUYRYWOKKGO-KRWDZBQOSA-N 499.331 5.137 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1822376660 OPLLXOQUDJQISR-WZAOVNSNSA-N 475.058 5.348 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1822388491 FZRDJYPRIWVWMT-AREMUKBSSA-N 491.595 5.734 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[nH]n1 1822396720 ZAEXRBOSOUQORP-IBGZPJMESA-N 480.918 5.120 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2cccnc2)n[nH]1)c1ccccc1 1822913618 KVUIMLDNJIUOMV-AHWVRZQESA-N 483.616 5.017 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823213113 RFKCIFVJUMYOQW-HXOBKFHXSA-N 459.525 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1823214714 IMSONLJNOLLBRN-BCHFMIIMSA-N 477.568 5.810 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1823254000 ZYJPSSXAMIPAEX-IERDGZPVSA-N 491.979 5.318 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823310111 YOMXKVHSABHWCD-SFHVURJKSA-N 466.891 5.191 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1823647159 QSNSRMXYXJHYQJ-HXUWFJFHSA-N 486.037 5.219 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)cc1 1823681871 CKFSYBIQSMBWQE-SANMLTNESA-N 496.026 5.146 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824497854 GVZKLZQRLCIHRF-UWHSVAFCSA-N 492.582 5.321 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1828154265 BRYKTDOEROOMDF-HSZRJFAPSA-N 475.589 5.459 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncncc3c2)CC1)c1ccccc1 1828650550 JYEJNTIBLKNBKZ-PXJZQJOASA-N 494.639 5.060 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828828439 KJTKHYZEMQSPPO-AHWVRZQESA-N 462.634 5.207 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCCn3cccc3)CC2)c1Cl 1829038858 SRGUJWWWPGAFMN-DEOSSOPVSA-N 481.040 5.117 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 1829955379 PHHUIQROLNFHAH-DEOSSOPVSA-N 483.534 5.053 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1830629505 ZDTVKZISHXGNIJ-RUZDIDTESA-N 489.019 5.434 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)cc1Cl 1830783659 NZENIKCSMVJIAE-OAQYLSRUSA-N 492.447 5.318 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2s1 1832633489 IEONJLOWTWDCRL-CJAUYULYSA-N 488.657 5.712 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)cc1C#N 1832703291 JCCQOSQZDHDQFK-JOCHJYFZSA-N 483.996 5.139 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)CCCCCCCCNC(=O)OC(C)(C)C)C2 1841317600 OUDKTJRRFYGKGG-UHFFFAOYSA-N 489.701 5.214 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c1 10174663 MSBUYFVVTRDSPQ-UHFFFAOYSA-O 453.578 6.163 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)nc2sccc2c1=O 10494532 HSQLNZHIKNABFO-MRXNPFEDSA-N 498.680 5.237 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(SC(F)F)cc2)c1 11113998 YZOPYLKTULANKV-UHFFFAOYSA-O 471.618 6.772 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)c1C 11127770 YYTMUXOZSLVIHX-UHFFFAOYSA-O 488.589 5.005 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(Cl)c(Cl)c2)c1 11159502 BDLXVYXWSKYUGR-UHFFFAOYSA-O 458.434 6.764 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11160212 FGGWJDLWFQCZMT-UHFFFAOYSA-O 465.642 6.871 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872435 CRWFAZSGQXXDMR-UHFFFAOYSA-O 470.033 7.030 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nc2ccccc2c1=O 15230992 DYHXBYLGKOUWIG-DEOSSOPVSA-N 471.582 5.372 30 20 JKED C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 22078513 ADLBLJSZDMZXQR-MRXNPFEDSA-N 499.999 5.412 30 20 JKED Cc1nc(CSc2ccc(C(=O)OCC(=O)Nc3ccccc3SCC#N)cc2)cs1 22418395 LZUQWKFDTIMNPN-UHFFFAOYSA-N 469.613 5.155 30 20 JKED CCCCCCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1c[nH]c2ccccc12 22675065 VZIYMJDROWNASC-UHFFFAOYSA-N 497.628 5.532 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1cccc(Cl)c1C 22728294 PMBCMAOJCYRMLG-UHFFFAOYSA-O 468.986 5.766 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 23602889 FPXZFZKBQRQEMU-UHFFFAOYSA-O 460.595 5.847 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)c3sc4cccc(Cl)c4c3Cl)n2)C[C@@H](C)O1 30571012 NKNPEIIIQABTGA-PHIMTYICSA-N 456.420 5.910 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cc1 105447437 BRXQUIRURCIVIJ-UHFFFAOYSA-N 495.919 6.008 30 20 JKED C[C@H]1CN(c2ccc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2F)C[C@@H](C)O1 108415793 LOKPJKJICZAHJF-BBWFWOEESA-N 470.614 5.080 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 247644631 JPHMTUYJLNBZJW-UHFFFAOYSA-N 483.572 6.086 30 20 JKED C=CCn1c(Sc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)nnc1-c1ccoc1C 302944337 BVYAYPNOXHOHAI-UHFFFAOYSA-N 487.614 5.524 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 303281626 UQUMTAJYDLJZGV-JOCHJYFZSA-N 464.953 5.334 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1 409987327 QPAVNJSLWFRYFS-GOSISDBHSA-N 455.489 6.037 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 498308619 GELHCEOIPBBHSM-UHFFFAOYSA-N 488.034 5.047 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3cccc(C#N)c3)cc2)cc1 499343355 LBTCZSWTONHHDH-UHFFFAOYSA-N 498.586 5.641 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)CCC#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 501608840 SGKDABTUPXXIDH-HXUWFJFHSA-N 496.640 5.507 30 20 JKED Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 501740777 BGMXEJDUXLBZGX-UHFFFAOYSA-N 489.579 5.210 30 20 JKED CN([C@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 507529700 JBNDNPZLYFLHOO-HNNXBMFYSA-N 491.354 5.197 30 20 JKED COc1cccc(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 510004233 DTMMFUCNZNTCAW-XMMPIXPASA-N 460.965 5.358 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 510004804 HRDIYBGZXRIJJW-ISKFKSNPSA-N 490.394 6.293 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1NC(=O)c1ccc(Br)cc1 510632313 ZFRWPUSPVDMVNF-GOSISDBHSA-N 474.314 5.641 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(Cc2ccccc2)n1 512293559 FTRKSVPBCRAMOL-UHFFFAOYSA-N 455.558 5.829 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccc(C(F)(F)F)cn1 513155965 QSPFGFYQFZIFIN-LJQANCHMSA-N 475.536 5.379 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SC[C@@H](O)COc1ccc(Cl)cc1Br 513486195 WPMNMWWNLUYESJ-KRWDZBQOSA-N 494.842 5.003 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 515221678 PTIXVHOSXODNBH-UHFFFAOYSA-N 456.546 5.099 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3cccs3)cs2)nnc1-c1ccccc1OC 515426623 NYGZJKHSHSRASF-UHFFFAOYSA-N 469.617 5.056 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 515487750 QSFQDQBQOPAFCO-FGZHOGPDSA-N 481.625 5.982 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 515617378 XSUXSUAJWPHCFU-UHFFFAOYSA-N 478.346 5.636 30 20 JKED CCN(CC)Cc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 515888603 HXZSCHLLDCXPPR-UHFFFAOYSA-N 490.991 5.101 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(COCc2ccco2)c1 516641155 SYMXVMUESCPODH-UHFFFAOYSA-N 467.525 6.291 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cn1 517530606 SZGXCSDCCFAQNV-QGZVFWFLSA-N 478.574 5.607 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 517533121 QMHVRSOJVHZMQQ-UHFFFAOYSA-N 496.336 5.239 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 518260589 NSOFVUUIKANSMM-RBUKOAKNSA-N 463.628 5.871 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)n2)cc1 518516744 VXQIYQMMAAUULF-NRFANRHFSA-N 483.528 5.424 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 518751476 VFVLQJADXLGYHA-HXUWFJFHSA-N 491.657 5.339 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 521061177 SVYDEQVDOISGEM-FQEVSTJZSA-N 480.012 5.616 30 20 JKED Cc1ccc(C)c(OC2CCN(C(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)CC2)c1 521246761 QAWJUFWKBJTFFX-UHFFFAOYSA-N 499.636 5.590 30 20 JKED N#CCCn1cc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 521325943 BIVMFJHEGMLJBY-UHFFFAOYSA-N 485.475 5.233 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1C 521801001 WMZDGRMZLNESMQ-LJQANCHMSA-N 479.627 5.751 30 20 JKED Cc1nc(-c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)cs1 522468927 FSXHRMJLWJLCPA-UHFFFAOYSA-N 470.573 6.041 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1 524441634 UHECDIYVGBEGHC-DEOSSOPVSA-N 491.975 6.177 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)cc2F)c1 524455215 LCZJSQZGOSMCMV-UHFFFAOYSA-N 471.513 5.842 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(Br)cc1 553026234 GYBMQKXCVHZCQQ-OXJNMPFZSA-N 458.425 5.619 30 20 JKED C=CCN(C(=O)c1cc(C(C)C)nc2onc(C)c12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 557715290 GOZYJKIIKFEDTK-UHFFFAOYSA-N 496.614 5.014 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 603637637 VFGBAPQXYWURHH-UHFFFAOYSA-N 480.549 5.398 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 603766223 NKMGEZSQYHLBQY-OAQYLSRUSA-N 472.892 5.045 30 20 JKED C[C@@H](C1CC1)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 603965025 TZOJEBAEBVWXGE-INIZCTEOSA-N 498.505 5.873 30 20 JKED COc1ccccc1NS(=O)(=O)c1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1C 608915047 DWEQLEPREFQEPG-UHFFFAOYSA-N 492.601 5.119 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCN3C(=O)CSc4ccccc43)cc2Cl)c1 609063205 PIXZDZZMEKOHGK-UHFFFAOYSA-N 477.973 5.258 30 20 JKED COc1ccc(NC(=O)NCCSCc2ccccc2C#N)cc1OCc1ccc2ccccc2n1 609081271 SMQISJHHIHBMQJ-UHFFFAOYSA-N 498.608 5.749 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C(F)(F)F)c1 609208345 UIDPDNXZQZIFHO-MRXNPFEDSA-N 477.552 6.543 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)O[C@@H](C)C2 609326882 VLCAJUAEVIUABJ-YROCYRMSSA-N 455.514 5.210 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3Sc3ccccc3)cn2)cc1 609342565 LZIJNLNFOMBSON-UHFFFAOYSA-N 480.549 5.152 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc(C3CC3)nc21 613346100 CWOWWNFROBJYNW-KRWDZBQOSA-N 496.423 6.810 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)nnc1-c1ccc(Cl)cc1 615053609 HCNFAANDGMKWCG-SFHVURJKSA-N 480.943 5.687 30 20 JKED O=C(Nc1ccc(OC(F)F)c2ncccc12)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618542582 YWFCMBPUFSJYLO-UWVGGRQHSA-N 457.321 5.431 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cn(-c2ccccc2)nc1-c1ccncc1 725752764 BXYCQWAZWDJLGP-UHFFFAOYSA-N 492.395 5.671 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCc2ccccc2)cn1 726110276 FOOQNUYSLUISHR-QFIPXVFZSA-N 496.036 5.068 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCCC1)c1cccs1 726420836 JNBLAZMOLJWMAU-NZLXBOQJSA-N 495.592 6.099 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC1CCC1)c1cccs1 726421751 PJRSVYUWFJJGHN-CGZRUWKSSA-N 495.592 5.957 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(Cl)cc2)cn1 726887108 CTEMFRDLCJZUFN-FQEVSTJZSA-N 498.967 5.043 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 728034286 CECSUHDQFODIHO-HXUWFJFHSA-N 484.478 5.405 30 20 JKED N#Cc1cccc(COc2ccc(NCc3cc(=O)n4cc(Br)ccc4n3)cc2Cl)c1 728052426 GXLBBJKGGNFZHC-UHFFFAOYSA-N 495.764 5.173 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3ccc(OC)cc3)o2)c1 728181522 MFVMXAFEJIUEAL-UHFFFAOYSA-N 461.568 5.114 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1ccccn1 728426709 XXMJOQGMAWFDHR-KOSHJBKYSA-N 483.597 5.237 30 20 JKED COCc1c(C(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)sc2cccc(F)c12 728972641 KOTVSHGIUNOHRW-IBGZPJMESA-N 495.416 5.386 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(C(C)C)cc1 729144680 XPRDZWJFCUUTMV-JOCHJYFZSA-N 492.670 5.413 30 20 JKED COc1ccc2oc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4F)n3)c(C)c2c1 729149941 GZWXEVGFBBXQCH-VMPITWQZSA-N 468.481 6.065 30 20 JKED COc1ccc(-c2nn(CN(CCC#N)CC(C)(C)C)c(=S)n2C2CCCCC2)cc1OC 729467829 FVJMGTVWHKJSBP-UHFFFAOYSA-N 471.671 5.823 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 729668777 PGGIPAVSARTURL-UHFFFAOYSA-O 499.612 5.612 30 20 JKED O=C1/C(=C\c2nccn2CC(F)(F)F)CCc2nc(-c3ccccc3Br)sc21 730436642 UHOUCBSILJSRSK-LUAWRHEFSA-N 468.298 5.544 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)cc1C 730441917 OZAWGKRZZZSRNR-HSZRJFAPSA-N 476.602 5.111 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1F 730477275 DOMZVAHBUZUXOR-UHFFFAOYSA-N 475.520 6.070 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccnc1Nc1ccccc1F 731062722 FMVATCHMBZVHIA-INIZCTEOSA-N 464.522 5.012 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCC1=CCCCC1 731309284 RFAASMXDVSAZRP-QHCPKHFHSA-N 479.602 5.252 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2ccccn2)C1=O)Nc1cccc(O)c1 731312378 KVYKPAOLHKQVGD-VWLOTQADSA-N 496.592 5.143 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C(=O)Nc3ccccc3)CC2)c1=S 732539416 XNDUNFMSWZAFII-UHFFFAOYSA-N 468.026 5.229 30 20 JKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3SCC#N)cc2Cl)n1 743900963 SBDXDGQOPWHOOM-INIZCTEOSA-N 467.982 5.221 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1sccc1-c1ccc(F)cc1 744608133 KOSFRSJKWZVEAU-MRXNPFEDSA-N 452.507 5.055 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(Cc2cccc(F)c2)C2CCCC2)c1=S 746064725 PQXGUBQIEYQGKQ-UHFFFAOYSA-N 457.663 5.170 30 20 JKED CCCC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(Cl)c(Cl)c1 746680113 XUMIEJYCGVDLSO-UHFFFAOYSA-N 476.433 5.282 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1F 746697956 QOYYQTHXZPMUBH-JOCHJYFZSA-N 489.588 5.359 30 20 JKED O=C1/C(=C\c2cnn(-c3ccccc3)c2)CN(Cc2ccccn2)C/C1=C/c1cnn(-c2ccccc2)c1 747317156 OZWNFTXZIJXDBU-FHOIBDKLSA-N 498.590 5.005 30 20 JKED CCCOc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cs2)cc1 750274080 DWUXXICQFLAKOH-AWEZNQCLSA-N 481.599 5.205 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1 750391377 GMONONZTFJKWRW-PGRDOPGGSA-N 483.597 5.509 30 20 JKED CC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 751375135 YPKVKSRUJAVBQP-RUZDIDTESA-N 498.974 5.486 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@H](C)c2cccnc2)C1=O 837300295 DYPBZLSSDCVZKB-OPAMFIHVSA-N 496.995 5.904 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 837707947 PPWRYUQVCYAAMT-YCRPNKLZSA-N 482.968 5.596 30 20 JKED N#CCCN(C(=O)COC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1ccccc1 900277669 ZBTKXSKPQRNSKH-UHFFFAOYSA-N 457.511 5.174 30 20 JKED CCOc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1 914545931 ABMJMQHPRGFVOY-QFIPXVFZSA-N 492.576 5.088 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@H](C#N)c1nc(C)cs1)c(C)n2C(=O)c1ccc(Cl)cc1 915100075 CSKUHQKQKRBCPR-NRFANRHFSA-N 477.973 5.484 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(Cl)cc1 916213137 ZSDFGOMDTYTPKG-KRWDZBQOSA-N 479.345 5.048 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(C[C@@H]3CCCO3)C2=O)c1 916213758 GXNCECLGBTURSN-PZJWPPBQSA-N 472.010 5.096 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCc1c(C)noc1C 916546449 RJSNJLHBUAKIBN-UHFFFAOYSA-N 483.981 5.298 30 20 JKED N#CCOc1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)c1 916682260 ITLZZTMEXVGGJQ-NRFANRHFSA-N 454.299 5.402 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1Cl 916684275 WAGNPLZZHSSBPV-RSXGOPAZSA-N 459.977 5.973 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1 916826649 DJQVHMCFYHCISR-UHFFFAOYSA-N 496.592 5.350 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1nc2ccccc2s1 916847928 WGNJUIRJHIXLJJ-IBGZPJMESA-N 490.382 5.730 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916903712 RANWEAHXEYWMAZ-QGZVFWFLSA-N 456.386 5.810 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1)c1ccccc1 916906378 QIICVISUJOILAX-YKSBVNFPSA-N 477.520 5.975 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1 916947898 BYKSUVQXQQHGBE-UWDQQESISA-N 459.590 5.017 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)n2)cc1 916974141 DXZRXMHSKVDPDY-GGAORHGYSA-N 457.599 5.464 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccc(C)cc2)N=C1C 917610747 UHJUXHZXUVMRSD-UHFFFAOYSA-O 456.591 5.753 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cccc(C)n3)C2=O)cc1 917668510 AIBBWBWMXYPIPM-DEOSSOPVSA-N 488.613 5.258 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)c([N+](=O)[O-])c1 917677360 CQNIAVQLQQUCAR-FQEVSTJZSA-N 498.561 5.264 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(C)c(F)c2)n1 917689269 LJXHJBBUPXCFPQ-NRFANRHFSA-N 497.983 5.046 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CC(F)(F)F)C2=O)cc1 917699669 DXWKWXPKWGXZJD-NRFANRHFSA-N 499.514 5.565 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 920104212 LPQJZADIOCGBIH-IBGZPJMESA-N 455.562 5.613 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 920105519 HGJSRYWXTVVNCI-LJQANCHMSA-N 463.946 5.300 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)n2)cc1 920138878 LOFGKFPWJLDDFT-NZQKXSOJSA-N 473.598 5.164 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3=Cc4cc(Br)ccc4OC3)n2)cc1 920142599 LOCBQGGNXWQEKO-SFHVURJKSA-N 467.344 5.233 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3cc(C)on3)C2=O)c1 920352785 TYXUWHFQLULHLJ-RUZDIDTESA-N 498.608 5.914 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920355128 KZLMINWXWXQJHL-HXUWFJFHSA-N 468.966 5.105 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(CC)c3)N(Cc3cc(C)on3)C2=O)cc1 920358011 XGFKQMVYQULNTI-QHCPKHFHSA-N 492.601 5.105 30 20 JKED O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 920837466 WXDULYZSXYXWHM-DTORHVGOSA-N 461.371 5.050 30 20 JKED CN(Cc1ccccc1)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1 920854967 VLHWIVJXQNWIMU-UHFFFAOYSA-N 480.528 5.261 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CCO2)C1 1779244321 LVAKXZPRYKNFQX-MUUNZHRXSA-N 482.571 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Oc3ccccc3)cc2)C1 1780878710 ZLSIWBAMXHIMIL-YCVRVPNXSA-N 488.628 5.375 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1785934562 CIGKFSZQVHBOPZ-OEMFJLHTSA-N 456.590 5.048 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)CC)cc2)CCC1 1786255377 DMNWCOONSSVTNW-RXVVDRJESA-N 457.615 5.026 30 20 JKED COc1ccsc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650869 ZELKCVWZRDHAEJ-MDZDMXLPSA-N 466.584 5.005 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H](C)CCN3C(=O)OCc3ccccc3)cc2)CCC1 1789165437 AIJPUMWCPBBASW-OFVILXPXSA-N 489.616 5.134 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3nc(C)oc3C(F)(F)F)CCC2)cc1 1789626240 ODTXDVYDGWOPGL-UHFFFAOYSA-N 463.500 5.742 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cncc(C(F)(F)F)c4)CCC3)cc2)c1 1790258129 IMXNUYLSAJBVQB-UHFFFAOYSA-N 492.501 5.353 30 20 JKED CC/C=C(\C)C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1790472130 OYRKUYLKWUETFK-DNTJNYDQSA-N 494.636 5.018 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)cc4F)CCC3)cc2)c(Cl)c1 1790767643 FFVJHHCXSNGZIP-UHFFFAOYSA-N 463.896 5.118 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790868769 LNLLSJDYUMWGRP-UHFFFAOYSA-N 466.006 5.555 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790959021 DZAADJXDLWKVJS-MSHUQIKOSA-N 494.979 5.098 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791250486 RAGOUODFUJDWCO-UGKGYDQZSA-N 469.626 5.122 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1791254180 LPBHSPGMZLMINY-ICSRJNTNSA-N 457.615 5.026 30 20 JKED COc1cc(F)cc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1791495383 AAQFOJJPDQCGCB-LFYBBSHMSA-N 483.543 5.361 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccc(C34CC5CC(CC(C5)C3)C4)cc1)C2 1801637534 IQMHXFIQSFXRLA-OCPYUOQBSA-N 490.688 5.384 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2C(C)(C)C)[C@@H]1c1cccnc1 1802503697 RUPRSSCDYXKHAR-JTHBVZDNSA-N 462.638 5.086 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1803079941 STSDSRZCGUYFKQ-RPLLCQBOSA-N 463.597 5.018 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1803093678 WDWFVOJZEUCTPA-CVDCTZTESA-N 489.513 5.328 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(N(C)C)c4ccccc24)C3)c1 1803678421 ACXKPBSOTGHPKC-OUJCMCIWSA-N 480.612 5.098 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(Br)c5ccccc5c4)CC3)C2)C1 1804777903 JEKKHGQOMQRLFL-UHFFFAOYSA-N 481.434 5.413 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)cc(C(C)C)c3)CC2)C1 1806028001 TZSCBEOXZCPDMO-LJQANCHMSA-N 491.470 5.008 30 20 JKED CCc1ncccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)C1 1807595218 BZXWQUPFHDOCFH-UHFFFAOYSA-N 491.635 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807837676 XDYUBPHPLXJWRG-GEBXHLAXSA-N 494.639 5.540 30 20 JKED CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)s1 1808803845 ZUMNBQYNZULYLI-WIOPSUGQSA-N 486.641 5.140 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1809211751 SOWUDKIDOYTACV-IPVFLDMMSA-N 489.019 5.371 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3c[nH]c4cccc(Cl)c34)[C@H]2c2cccnc2)c1 1810073137 DGHHWQKQZBNYGM-FQRUVTKNSA-N 497.986 5.030 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810273824 YOIRFJPMSDPQSE-GJZUVCINSA-N 496.127 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1810503107 ODXIZYFNVNQFKF-AUSIDOKSSA-N 499.011 5.264 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810604455 QNKCTIKRQAOJGQ-YZZKKUAISA-N 473.951 5.101 30 20 JKED CCn1c2ccccc2c2cc(C(=O)NC[C@@H]3CCN(C(=O)C(C)(C)C#N)[C@H]3c3cccnc3)ccc21 1811427002 CPFFOYIOKBUZSX-CUNXSJBXSA-N 493.611 5.079 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc3ccsc3[nH]2)[C@@H]1c1cccnc1)c1ccccc1 1812124726 IYBNRYVMKGURKJ-GNKBHMEESA-N 496.636 5.141 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@H]1c1cccnc1 1812592490 UVAXXWLPXOGGNM-WSNOQYBDSA-N 482.584 5.355 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1812672583 JFEOEMFQCJIDGY-ZEQKJWHPSA-N 489.566 5.588 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1813227007 OBNSPMZQWFXMSB-AMGIVPHBSA-N 489.019 5.105 30 20 JKED Cc1noc(C)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1816403946 QHBNCTXKMPLZCQ-RUZDIDTESA-N 493.567 5.034 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817742825 NKSYCLGDRVNXMX-XMMPIXPASA-N 487.604 5.069 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)CC1 1818117528 WNAGSOBUUROSRF-CMQDFMBFSA-N 482.650 5.365 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)oc2ccccc12 1818570996 ANCAHWSKCMNVHC-HXOBKFHXSA-N 481.556 5.711 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)n[nH]2)c1 1818931369 NSSGHIPHQBKPSA-KNEWOZPHSA-N 489.620 5.202 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4scnc4c3)n[nH]2)c1 1819151226 ZZELAFKCULQERC-KSFYIVLOSA-N 484.585 5.266 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)Sc2cccs2)n[nH]1 1819257005 XHJCGWSHNWITGI-YQVWRLOYSA-N 458.653 5.413 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)[nH]n1 1819302720 KPRCMQJCHJDCHF-LBGHRLISSA-N 454.521 5.162 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819479629 GPEJECCNUTXAEB-HTHFWCIQSA-N 488.375 5.043 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820239556 VWZMJCUQINTEEF-XMMPIXPASA-N 458.537 5.325 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3)[nH]n2)cc1 1820549086 SAMQBPZSJNDTBU-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)n[nH]1 1820950281 LRANDBBZDHPJTA-QUCCMNQESA-N 489.661 5.088 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)cc1 1821180392 TVZTUXWLIJSAEC-SFHVURJKSA-N 475.599 5.372 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821287225 CVDHXULTKNBROR-INIZCTEOSA-N 471.385 5.081 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821542774 JLFKMCHPQARPPK-NRFANRHFSA-N 465.985 5.619 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1821925420 SPGNLLXVWOGIFP-BTYIYWSLSA-N 451.958 5.129 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc(F)c(F)c(F)c2)n[nH]1 1822284025 LAOGQKJNAXXJOU-ANJADALCSA-N 472.511 5.301 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)ccc(Br)c2C)[nH]n1 1822582547 LOMOJHQOGUYFSL-IBGZPJMESA-N 489.389 5.119 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)n3C)[nH]n2)c1 1823215667 ZTEHPFDJAYNSJA-HNAYVOBHSA-N 498.509 5.014 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 1824138266 XQEWJLKNUUCOJK-JQYIIUTOSA-N 470.604 5.456 30 20 JKED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824226228 QGXADQDOCLGJDX-HNNXBMFYSA-N 496.539 5.322 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1824960966 BPWRLHNOSPKBBJ-DEOSSOPVSA-N 491.657 5.580 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)c2nccs2)CC1 1826113147 VXGFSHWNVBLAOK-AREMUKBSSA-N 483.637 5.090 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)CC1 1827850975 SMIVZCIEYKLWCF-JOCHJYFZSA-N 463.544 5.102 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CC1 1828351370 FPBZNACXLMANNF-GBXCKJPGSA-N 498.465 5.300 30 20 JKED CSc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1O 1829667133 PTHQQMVOTZVMMP-NTKDMRAZSA-N 491.657 5.288 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)CC1)c1ccccc1 1829803575 XJKSOAFGELGIPJ-AZGAKELHSA-N 475.633 5.229 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)CC2)CCC1 1829907169 KRSBFKVVIFMBLX-RUZDIDTESA-N 471.601 5.406 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829994011 FRDFZXBBBUWTBM-RUZDIDTESA-N 497.561 5.443 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)CC2)c1 1830092481 IRUCZCQGMCICOU-BVZFJXPGSA-N 465.544 5.139 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)cc3F)CC2)c1 1830093563 DLNPIGXLYPSTKD-AVRWGWEMSA-N 465.544 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 1830126923 YDFBQHABCHWODB-ULNSLHSMSA-N 491.720 5.429 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1830151765 ARUPHKPRSXVFSC-BWKNWUBXSA-N 483.056 5.147 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)ccc1F 1830358183 BPDBSTRDFSAEJF-IOPHVTJRSA-N 498.602 5.054 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830472620 WZUOSSKQGPMQSH-JOCHJYFZSA-N 479.086 5.280 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1830631969 UIIFNIOCQFZDOX-GDLZYMKVSA-N 492.623 5.362 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c1 1830973730 YDWYBDDTXUFKMV-VWLOTQADSA-N 472.614 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Sc2ccccn2)CC1 1832168159 MLIQRRIKPGSWBQ-IFMALSPDSA-N 457.684 5.174 30 20 JKED C[C@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC=CCC1 1832406046 FIFRMQNRVYXLNE-OZXSUGGESA-N 454.014 5.191 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634029 NLLFNLWSGGBLGA-TYBLODHISA-N 490.673 5.123 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634683 TXQYLAIMIPRLBM-ZBLYBZFDSA-N 468.601 5.041 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1832827975 KCCISYMWIRLOFR-HXUWFJFHSA-N 454.920 5.006 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)cc1 1847619297 MXRZCOVUOYBPPP-NNPOPPHNSA-N 461.993 5.001 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC(C)CC2)nc2scc(-c3cccs3)c2c1=O 9964572 LEHXBITZNCEBEL-HNNXBMFYSA-N 459.662 5.112 30 20 JKED Cc1c(Cl)cccc1-n1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccncc1 10318196 ONXZJIZKBXMOBM-QGZVFWFLSA-N 481.025 5.114 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2C)nnc1-c1ccc(Cl)cc1Cl 11149509 IGUMTKNUQUSHJA-UHFFFAOYSA-N 461.418 5.497 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2nnc(CC)s2)ccc1Cl 15963567 NFKSRYGOOPVURI-UHFFFAOYSA-N 497.429 5.041 30 20 JKED Cc1nc(N/N=C2/C(=O)Nc3ccc(Br)cc32)c2cc(-c3ccccc3)sc2n1 20932802 RKQPAVDQKJLGDB-UHFFFAOYSA-N 464.348 5.198 30 20 JKED C[C@@H]1CCC[C@@H](n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)[C@@H]1C 22844438 SYOWQVQVHDHAKD-JBYIUTFZSA-N 492.670 5.740 30 20 JKED CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 23379034 NHTZRDNLGBVTRO-LBPRGKRZSA-N 471.633 5.222 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C(C)C 23585778 AFBXWSKWZQXCDV-MRXNPFEDSA-N 485.009 5.067 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23603660 YLIUSPGMWULSBH-UHFFFAOYSA-O 468.646 6.178 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3csc(-c4ccc(CC)cc4)n3)n2)n[nH]c1=S 25682007 VKYPURLFHKWOLE-UHFFFAOYSA-N 468.633 5.112 30 20 JKED C=CCc1ccc(OCC(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c(OC)c1 26050320 DKBFCOWAVZFVRH-UHFFFAOYSA-N 476.598 5.010 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)c1C 28695757 OIBHZJQJQMCISN-UHFFFAOYSA-O 474.578 5.487 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)nnc1-c1ccc(Cl)cc1 29388088 XDBIIBKJDORLHM-UHFFFAOYSA-N 499.021 5.189 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4ccc(Br)cc4)CCC3)s2)cc1 105745697 YWCXWSKCHYGBCK-UHFFFAOYSA-N 485.432 5.525 30 20 JKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 109284039 PNIQEUCDDIACPP-UHFFFAOYSA-N 451.729 5.955 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc(-c2ccncc2)cs1 195662594 SGGJUGKGQICZRM-IAGOWNOFSA-N 485.396 5.241 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 195691689 ZFRLBDYQXHPRHS-UHFFFAOYSA-N 485.385 5.375 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3cccs3)C[C@H]3CCCO3)cc2Cl)c1 303164973 IIBIMLJXANEPTG-OAQYLSRUSA-N 482.005 6.065 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)cc2Cl)c1 303227990 WWLAQHZSSZXZRW-UHFFFAOYSA-N 495.000 5.759 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nnc(-c3cc(Br)ccc3F)s2)c1 410006986 MJBOQACLEIMQMI-UHFFFAOYSA-N 499.321 5.403 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC(c3cccc4ccccc34)CC2)CC1 476160266 PWMWUCJGWASAQI-UHFFFAOYSA-N 480.568 5.582 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 482128626 CPPVDXVGGHALQB-UHFFFAOYSA-N 479.631 5.217 30 20 JKED Cc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c1 486292895 PROAXBXSESELIT-UHFFFAOYSA-N 470.598 5.149 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)c2cccnc2)cc1OCC 488455025 AALHMDVMGBEECU-HSZRJFAPSA-N 453.380 5.687 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccc(-c2ccccc2C)s1)C(C)C 499159423 GDXODCHOVZUDTF-UHFFFAOYSA-N 461.587 5.370 30 20 JKED O=C(Nc1ccc(F)cc1Br)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 500068207 AGGJDSKHADCZLT-UHFFFAOYSA-N 496.180 6.064 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)cc1 505669365 AFDPKHUCQRYGPV-UHFFFAOYSA-N 472.476 5.428 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4c(Cl)c(Cl)ccc4[nH]3)s2)cc1 507269711 ZXLMVWZQTVOQIR-UHFFFAOYSA-N 460.371 5.742 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 508130758 HZYFYFXVSBJNCG-UHFFFAOYSA-N 479.584 5.746 30 20 JKED C=CCOc1cccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 509072821 WLTQQGGGOORLMP-UHFFFAOYSA-N 455.308 5.040 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1Cl 510004274 FJLYXHAJYSLKBQ-VWLOTQADSA-N 487.003 5.943 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)s2)cc1 510228965 GBMLLNNWFZCUSM-GOSISDBHSA-N 455.996 5.628 30 20 JKED COc1cc(C#N)ccc1OCC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 510287315 LOZMCRGEIBQZRT-UHFFFAOYSA-N 484.434 5.247 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1F 510886328 DYBQKFCYPKTCBX-UHFFFAOYSA-N 488.563 5.547 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 511012361 FXHRDTSPCHNZQZ-UHFFFAOYSA-N 467.451 5.885 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 515541875 AXCZIGCJQYCYAJ-HSZRJFAPSA-N 487.606 5.434 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 516082537 ONKADLWUIDLKGF-UHFFFAOYSA-N 474.319 5.473 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3NC(=O)c3cccc(C)c3)n2)cc1 516270025 KSYUVUFDHOKZID-JOCHJYFZSA-N 467.550 5.870 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)o3)n2)cc1 516713526 HZCWHNDDNWSQSO-INIZCTEOSA-N 452.520 6.042 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccccn2)c1 517640151 NXBYIUVXWIYVDY-DEOSSOPVSA-N 482.005 5.094 30 20 JKED CCC[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)C(=O)N1CCc2sccc2C1 518279480 YQYDVYIQNGYNQG-RUZDIDTESA-N 459.615 5.042 30 20 JKED N#C[C@H](C(=O)c1occc1CSc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 520429516 PZYZQEFFRUAXFQ-MRXNPFEDSA-N 452.507 6.464 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3CCN(c4ccc5cccc(O)c5n4)CC3)c2)c1 520566732 GSPORHJDVWRXSQ-UHFFFAOYSA-N 478.552 5.246 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C(F)(F)F 521474909 GSSHHKFQSRBHIF-QGZVFWFLSA-N 460.887 6.218 30 20 JKED CCc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(Br)cc1 521735033 WWQIKZHLGRORDN-HNNXBMFYSA-N 469.408 5.701 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)cc1 523286744 LIYJPCNODLOYBJ-UHFFFAOYSA-N 487.537 5.092 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)cc1 524304568 CDVSRTAOZNDNSI-AREMUKBSSA-N 493.529 7.110 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 524566628 XHMVTEBCALONFZ-HOCLYGCPSA-N 471.051 6.906 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 524566630 XHMVTEBCALONFZ-ZBFHGGJFSA-N 471.051 6.906 30 20 JKED COc1ccccc1-c1nnc(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)n1-c1ccc(C)cc1 589721868 CVALWIZMEUYGDW-DEOSSOPVSA-N 481.581 5.021 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 603977003 RHKPPEYMRUALJB-BGYRXZFFSA-N 483.637 6.388 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 603992536 ZKBYOHDEZDWDNF-UHFFFAOYSA-N 499.617 5.463 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)Cc3ccc(NC(=O)c4cc5ccccc5o4)cc3)n2)cc1 604382552 ZCXUTTKFIGRYKG-UHFFFAOYSA-N 478.533 5.861 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)CC1 604428703 HPSZYEYWAXSTBU-UHFFFAOYSA-N 463.925 5.223 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1C 608778397 XVCHNOILHAUULB-UHFFFAOYSA-N 485.563 5.580 30 20 JKED CC(C)(C)[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 609001655 KISZWBPNVNNQIX-OAQYLSRUSA-N 459.516 5.027 30 20 JKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)CC3 609123785 BMKMPTRNSAPUHS-UHFFFAOYSA-N 454.505 5.656 30 20 JKED N#C[C@@H](C(=O)c1ccc(I)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 609150326 YMZKZRBAPYJDRW-JTQLQIEISA-N 490.219 5.549 30 20 JKED COc1ccccc1OCc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)o1 609172759 BJVAILGXQILANH-DEOSSOPVSA-N 468.509 5.441 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 609377907 KMUDPWBFXOEDKN-LJQANCHMSA-N 481.687 5.979 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SCc4cn5ccccc5n4)cc3)n2)cc1 613317976 BFKUUXNIQMTZMC-HSZRJFAPSA-N 480.618 6.549 30 20 JKED Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnn1-c1cccc(C(F)(F)F)c1 618301985 ZTZFDSSFWFJNKV-STQMWFEESA-N 473.339 5.402 30 20 JKED O=C(c1cc(F)c(O)c(Cl)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517905 QWVQVGWJLVLLSJ-OAHLLOKOSA-N 471.756 5.436 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccccc1F 639394072 ABMZINNTULXOKQ-NRFANRHFSA-N 452.555 5.228 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cccs2)cn1 726118132 JMFWIADJKIBNNE-QFIPXVFZSA-N 489.626 5.278 30 20 JKED C[C@H](Sc1ncccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)N1CCCC1 726142068 LQRCFCPCPGLISG-YADARESESA-N 470.598 5.092 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 726410516 HSANSSQNQBBMPW-UQBPGWFLSA-N 498.608 5.183 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 726421612 OGSUPCXOLLXETO-YKKHSHCJSA-N 499.061 5.948 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2ccccc2)cc1Cl 726570918 NQJRDVAWMKHFEP-UHFFFAOYSA-O 481.000 6.394 30 20 JKED CCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Cl)c(Cl)c2)cc1 726572192 RCXZYUGHXBFBCC-UHFFFAOYSA-O 473.405 5.350 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)sc1-c1cccc(Cl)c1 726731518 KRPYNHYTUSNQCV-IBGZPJMESA-N 465.962 5.040 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)cc1 726940671 OLFGSHIDIZDCEU-UHFFFAOYSA-N 476.374 5.879 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2)c1C 727253079 ZKCXQPSZPDCWKQ-QHCPKHFHSA-N 493.608 5.128 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)c1 728182585 ZJUKHYGOHAFVAY-IBGZPJMESA-N 453.464 5.125 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cc(F)ccc3F)C2=O)cc1 729634933 XLPVSLRNYJLFII-HSZRJFAPSA-N 493.535 5.328 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 729635060 ZXLJQAUWXGKXQB-OAQYLSRUSA-N 482.968 5.343 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)N[C@H](C)c2ccc(Cl)cc2Cl)[n+]2cccc(C)c2)c1 729669134 CXLZXNWVZWOVSU-CQSZACIVSA-O 492.404 5.259 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCc1c(C)noc1C 730445453 ZSGCEYWPRUSKDU-QHCPKHFHSA-N 494.592 5.196 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(C3CCC3)C2=O)cc1Cl 730461882 IWOUDQVAEMOOJQ-QBLAXEKDSA-N 478.039 5.352 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730462407 XQJZKNOJHONUFL-SFHVURJKSA-N 481.927 5.872 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1c[nH]c2ccc(Br)cc12 730583180 CZVFKPOBUWZGTH-UHFFFAOYSA-N 497.205 5.579 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(Cl)c2)s1 730719492 GCGWGEWEYIWXHY-KDOFPFPSSA-N 486.022 5.221 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](c2ccccc2)C2CC2)c1 730727752 UXCMXKVIGHCYDJ-QPPBQGQZSA-N 489.576 5.036 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)s1 731070347 QEGBIRXBASMBMY-HNNXBMFYSA-N 454.548 5.601 30 20 JKED COc1cc(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)ccc1S(=O)(=O)C(F)F 747067376 VQLONDBNCNABJM-VMPITWQZSA-N 499.944 5.277 30 20 JKED N#CC1CCN(Cn2nc(-c3ccccc3Cl)n(-c3cccc(C(F)(F)F)c3)c2=S)CC1 747078750 AXOBLZSQNRFNII-UHFFFAOYSA-N 477.943 5.936 30 20 JKED CCOCc1cc(/C=C2/CSC/C(=C/c3ccc(OC)c(COCC)c3)C2=O)ccc1OC 747613256 VDWPDPYEUMEKPA-GACBQCINSA-N 468.615 5.560 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 748610774 RYKRUPYTAKAGGJ-UHFFFAOYSA-N 465.724 5.279 30 20 JKED CCOc1cc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)ccc1OCC(F)(F)F 750901959 GXYWYQSPRQOBDL-DEDYPNTBSA-N 470.447 5.326 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(OC(F)F)cc1 799219527 TYSLVNNBJBMDJX-INIZCTEOSA-N 498.349 5.031 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2cccc(F)c2)cc1 838040449 KAVGDHLXCKIGPX-HSZRJFAPSA-N 495.551 5.176 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(CCc3ccccn3)C2=O)c1 838592712 UHTKIXBUTWCAPF-HSZRJFAPSA-N 494.567 5.180 30 20 JKED COc1ccc(NCc2cc(C#N)ccc2Br)cc1OCc1cn2ccccc2n1 864006080 PLFGBHLFLLENTI-UHFFFAOYSA-N 463.335 5.168 30 20 JKED COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915085457 MFKRXQZVOHXNOK-SANMLTNESA-N 497.576 5.404 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(Br)cc1 915086301 SGXRFPSJHKMPCM-HSZRJFAPSA-N 471.358 5.851 30 20 JKED C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 915086517 LJASMKVWOYKSJQ-FQRUVTKNSA-N 473.598 5.157 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)n2)cc1 915099768 AKRPISOMJWFCCN-FQEVSTJZSA-N 465.525 5.125 30 20 JKED Cc1ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1NC(=O)c1ccccc1F 915515070 MSGWRXIZVSLWNN-SFHVURJKSA-N 491.494 5.018 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2cccc(C)c2C)cs1 915911998 MIKVLPYFTPYWTN-UHFFFAOYSA-N 451.621 5.382 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cccc(Cl)c1C 916204964 GKGQPOYAJUODPC-FQEVSTJZSA-N 475.998 5.036 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1C 916206404 YLACACUVLDTCNO-FQEVSTJZSA-N 493.551 5.319 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1C 916206913 AVBNHTCMGLVXCW-SFHVURJKSA-N 480.417 5.217 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)c(C)c1 916207934 PILDIVDOGQDULX-HSZRJFAPSA-N 476.577 5.041 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN(Cc2ccccc2)c2ccccc2)cs1 916249995 RGGZLVHZWKXXRP-UHFFFAOYSA-N 460.990 6.522 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(N)nc(Nc2ccccc2)n1 916880868 QLXMBHQLIIEHOQ-WLMCBFPDSA-N 492.383 5.125 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916883827 UZYXWISHEKGCEK-SFHVURJKSA-N 459.811 5.507 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944759 MFDJFHPSNIOATH-MRXNPFEDSA-N 462.720 5.582 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCc3c(cnn3-c3ccccc3)C2)c1=S 917450494 FALSXVOGWIKAOS-UHFFFAOYSA-N 493.036 5.034 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2)cc1 917678997 ADGMVWAXUVKAIE-QFIPXVFZSA-N 492.963 5.511 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccsc2)C1=O 917681921 RTXOJKRIHUCNIB-HXUWFJFHSA-N 486.018 5.571 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc2ccccc2c1 917699027 QLJLWAPBAQBJQZ-HXUWFJFHSA-N 482.403 5.583 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CCC3CCCC3)C2=O)cc1 917701506 NVFYNZIFUVQZGH-XMMPIXPASA-N 488.613 5.301 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1 919714245 XOKDROSWRCYPIL-NHCUHLMSSA-N 464.352 5.640 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)n2)cc1 920139649 WPQIKHXTURFSAB-SIKLNZKXSA-N 474.586 5.248 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Br)n2)cc1 920141847 MRYBHEATNMAYCT-QGZVFWFLSA-N 466.360 5.480 30 20 JKED Cc1ccc(-n2nnc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c2C)cc1 920324934 WLSNOZIVZGCMLD-SFHVURJKSA-N 482.396 5.733 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2nnn(-c3ccc(F)cc3)c2C)cs1 920390117 YKNBLHAHGKSTSD-JYRVWZFOSA-N 461.522 5.060 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCCC#C[Si](C)(C)C)C2)CC1 1779359834 BRQAMESCRVWFGT-PAHOUZJPSA-N 488.789 5.014 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@]3(CN(C(=O)c4cccc([C@@H](C)C#N)c4)CCO3)C2)cc1 1781872440 NUQMSYMKLAJFSQ-GTYOFVGBSA-N 493.607 5.046 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4c(F)ccnc4Cl)CCC3)cc2)cc1 1785795840 DPHNUYBULXVYDV-UHFFFAOYSA-N 476.939 5.126 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C(F)(F)F)cc3)CCC2)cc1 1786366632 PWNVDQAOSBCGIY-UHFFFAOYSA-N 474.523 5.365 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1 1786391202 JAZGEAZWFJZLRX-HSZRJFAPSA-N 463.603 5.352 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CCCc3ccncc3)cc2)CCC1 1786905446 CDFWBBQTFODSNX-VAWYXSNFSA-N 473.598 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C=O)s4)cc3)CCC2)c1 1788157448 HJHNDULSYAEWGQ-QGZVFWFLSA-N 457.555 5.249 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1789024190 ZJBWESQCENUTHR-UHFFFAOYSA-N 465.509 5.380 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CNc4ccccc4O3)CCC2)cc1 1789453768 FITBSEGTAVLZOR-GOTSBHOMSA-N 459.590 5.152 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1789495521 IPCXZVXYNLARJQ-OAQYLSRUSA-N 465.981 5.142 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCc3nnc(C)s3)CCC2)cc1)c1ccccc1 1789601776 BMXKBLDXYSKNJW-XMMPIXPASA-N 486.641 5.110 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H](Cc3cccs3)NC(=O)OC(C)(C)C)cc2)CCC1 1789653779 TWXSCBDHHRDHAG-OAQYLSRUSA-N 497.661 5.284 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn(C)nc4C(F)(F)F)cc3)CCC2)c1 1789760479 HCZIXJYRARITDI-INIZCTEOSA-N 495.505 5.127 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789958608 UCTGOEAASIGBSW-VWLOTQADSA-N 469.585 5.069 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3O)cc2)CCC1)C(F)(F)F 1790614276 NOFYRKCLDZGJJD-UHFFFAOYSA-N 483.284 5.021 30 20 JKED COc1c(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)ccc(F)c1F 1790707775 NNNTZPOPBHSVKQ-UHFFFAOYSA-N 475.495 5.101 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccco5)no4)CCC3)cc2)c1 1790762535 IITRLWTYTVRCRO-UHFFFAOYSA-N 470.460 5.007 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cn5cc(Cl)ccc5n4)CCC3)cc2)c1 1790796002 MVSZRYVMIUAVEY-UHFFFAOYSA-N 483.959 5.229 30 20 JKED CO[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(C#N)c3)cc2)CCC1)c1ccccc1 1790796782 INFVGZGZQKDVNE-VWLOTQADSA-N 453.542 5.002 30 20 JKED C[C@H](c1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1)C(F)(F)F 1791146580 PFADWBLCHVNWDV-QGZVFWFLSA-N 457.496 5.333 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)cc2)CCC1 1791198842 OBHFJLFJLDVHPT-HXUWFJFHSA-N 497.035 5.113 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)(F)F)ccn3)CCC2)cc1 1791300395 DLOXBOYLPYDGLY-UHFFFAOYSA-N 453.411 5.060 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2)CCC1)C(F)(F)F 1791517188 XAUUITMBJZYDSC-IBGZPJMESA-N 497.558 5.178 30 20 JKED COc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)c1 1792102999 IBNITCULMXHROK-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C[C@@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792126580 GDYHQJUSBDHKBX-VQTJNVASSA-N 455.558 5.533 30 20 JKED Cc1cc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)no1 1792168749 VIAXIZBVWZPTGS-ZRDIBKRKSA-N 484.556 5.103 30 20 JKED COC(=O)c1ccc2cc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CCC5)cc4)CCC3)ccc2c1 1792233303 AOAQFPMOQPEZFZ-UHFFFAOYSA-N 481.552 5.068 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccnc3ccc(Br)cc13)C2 1792572548 APLUXGKPUYNEQM-REPLKXPHSA-N 484.438 5.242 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccco1 1794964024 VHLIDEMZNAWVCK-LRSLUSHPSA-N 489.657 5.175 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2c(Cl)c1OC 1799336488 NCRBXDJXAPBWRW-PLACYPQZSA-N 467.009 5.522 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1OCc1ccccc1 1799339810 KAEBMSPQWNPIDZ-NUNAXRQHSA-N 479.020 5.364 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc2cc[nH]c2c1 1800503819 FJOLTCLCEPZMOR-OUOZDZGXSA-N 473.576 5.133 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C)C2 1801696699 WWELTXVEFQEXGY-REPLKXPHSA-N 491.579 5.114 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)[C@@H]1c1cccnc1 1802492633 QHAZKQBOGLNLAQ-RCZVLFRGSA-N 472.589 5.049 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803556237 YZBGXMVIRSYMOS-YGPDHOBYSA-N 498.067 5.163 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cc(Br)c1 1803910735 QXXXGSCNNFFQKN-REPLKXPHSA-N 467.835 5.347 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CCc3cnc4ccccc4c3)C2)CC1 1805313489 CVBWDPDEMJINIM-UHFFFAOYSA-N 459.634 5.167 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CC2)C1 1806062687 DRNADJJVGZXMSD-RUZDIDTESA-N 490.673 5.029 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccoc2C(F)(F)F)[C@H]1c1cccnc1 1808575438 XIBYERYWEHDJBK-PKOBYXMFSA-N 463.500 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@@H]1c1cccnc1 1810175050 WBWIMFZJQHGNOA-TZBSWOFLSA-N 463.647 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1810183118 RXANYHFBEHVPBE-SYVJQLTCSA-N 479.596 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1810183191 SXXCADIVMQAYMI-ZEVJAHDQSA-N 473.642 5.693 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1810504332 YKVHPSPGUNQLCE-OZXSUGGESA-N 488.632 5.052 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3C3CC3)[C@H]2c2cccnc2)c1Cl 1811426176 RUVRPVIOOHYSPW-LVXARBLLSA-N 484.987 5.117 30 20 JKED CCCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1811743991 URTRWXKHFBOTMS-JYFHCDHNSA-N 487.003 5.193 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(Cl)cn3c2C)[C@@H]1c1cccnc1 1812258484 WITSICMIALIEOU-RDPSFJRHSA-N 494.039 5.003 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1 1812810186 ZEGDXBRXZVNVMF-BDYUSTAISA-N 474.649 5.464 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[nH]n2)cc1 1814497552 CFFDRLPTIIZQDA-UCKMRUJXSA-N 473.621 5.123 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)[nH]n1 1814828449 MSRFFTQURJGLSS-SANMLTNESA-N 497.599 5.359 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1)c1ccccc1 1814931836 QSYLXLZOGDZKII-ILBGXUMGSA-N 455.562 5.027 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)n[nH]1 1816107515 WHRSSCLSNHSWDV-VWLOTQADSA-N 487.604 5.488 30 20 JKED CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccccc1 1816736013 WJUKATCZFXFQOG-OQPAMZIISA-N 476.602 5.096 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)[nH]n1)c1ccccc1 1819519689 XHRUJGAYZXICFQ-RSXGOPAZSA-N 483.616 5.179 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3sc(C)nc3c1)CC2 1819600359 ZPCCWPYDBLUXCW-DLBZAZTESA-N 466.632 5.055 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(Cl)s2)n[nH]1)c1ccccc1 1819915628 JSBJRKKEHAFISM-MJGOQNOKSA-N 482.009 5.023 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1)C(F)(F)F 1821992600 BAVZJACMMCTCHL-KRWDZBQOSA-N 487.507 5.302 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CCc4ccccc4C3)n[nH]2)c1 1822126903 FVGYFFPHZPBHQC-BLFHIAQRSA-N 481.600 5.148 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)[nH]n2)c1 1823212945 ZWGDKKWYIVWXJJ-UUOWRZLLSA-N 485.563 5.214 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)n[nH]2)cc1 1823287799 ZAGMJAUKLOHXMM-HHHXNRCGSA-N 489.579 5.762 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)[nH]n1 1823420503 XPKMMPXGTZOGHN-NRFANRHFSA-N 479.378 5.045 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823682772 FOTNBTDHOMDKSR-AJTFRIOCSA-N 489.685 5.291 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823685733 FPZBTIKZDKLBBA-DFHRPNOPSA-N 482.628 5.051 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C4(C#N)CC4)CC3)c2c1 1827299931 YPMFQGHUOBRYHA-QHCPKHFHSA-N 491.632 5.177 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccs1 1827683794 KPXROKXAKSVIAU-RQWLHQTBSA-N 471.022 5.074 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828223936 SGDQZYFSEIJLEI-AREMUKBSSA-N 477.649 5.469 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1828826854 DHZOTLHFVVEBON-OZXSUGGESA-N 470.629 5.615 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1828827388 MBCKFXAFZLCNLO-IZZNHLLZSA-N 477.649 5.037 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(F)(F)c2ccco2)CC1)c1ccccc1 1829035041 JPJOWEHZPBKLHX-DNQXCXABSA-N 482.571 5.188 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829997757 MMXDSEYPOCOXEX-IBGZPJMESA-N 458.471 5.150 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 1830016196 BTAMKLQBQBAYIB-QHCPKHFHSA-N 487.497 5.263 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1830415710 ZYQKTGOGBOWUAA-PBHICJAKSA-N 474.454 5.089 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492523 VLYBVHGOCLWATF-MHZLTWQESA-N 456.586 5.126 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1830509231 FYMNKULMMFQKHA-AREMUKBSSA-N 491.607 5.340 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830734014 TXXIRAKHHYCDIS-OFNKIYASSA-N 471.573 5.044 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755741 OGXIXBDVMMKASY-VGSWGCGISA-N 461.528 5.023 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c1 1830769192 JMSSYGQEFYVZQU-XMMPIXPASA-N 472.614 5.024 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1831373907 IZPFKKUDTIHCJW-DYESRHJHSA-N 484.534 5.212 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831377248 WUDAAVZNEYIRRI-IERDGZPVSA-N 476.543 5.027 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1)C(F)(F)F 1831454091 XHKBQNYFPLSXJP-QGZVFWFLSA-N 481.317 5.484 30 20 JKED COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)ccc1F 1832589363 QETHEAKZTCWRKW-XMMPIXPASA-N 486.704 5.119 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635679 OIUAVOOGSSXYSZ-UQBPGWFLSA-N 494.035 5.523 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2OC)[n+]2ccc(C(C)(C)C)cc2)c1C 10118291 PRPQANRUYXSYNH-UHFFFAOYSA-O 494.637 5.063 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1 11076527 DVQRFJVLPJWTNY-UHFFFAOYSA-N 490.629 5.339 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc3c(c2)CCCC3)c(C)s1 11258993 SYHPJPKTOTYAOB-UHFFFAOYSA-O 470.083 6.544 30 20 JKED CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(C#Cc2ccccc2)cc1 11402996 ZLDFIQKBYSKVCL-UHFFFAOYSA-N 450.460 5.206 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(CO)c2)cc1 15247712 NHVDUSBKQSXSEP-UHFFFAOYSA-O 498.466 5.577 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nnc1-c1ccccc1OC 18771369 BTOZBXUBTGNABA-UHFFFAOYSA-N 477.615 5.302 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 20055972 LVJQINWXJWLCPV-UHFFFAOYSA-N 451.617 5.521 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccccc3)n2Cc2ccco2)sc2c1CCCC2 21439719 LIJBXHGCMLCWJN-UHFFFAOYSA-N 489.626 5.519 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 22151766 DSVZJMVIXHBOPZ-UHFFFAOYSA-N 489.601 5.479 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Cl)cc2Cl)c1 22731068 LKYYYEODAGRSEX-UHFFFAOYSA-O 452.333 5.918 30 20 JKED COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C#N)cc(OC)c1OC 23547117 PLQVSWQZICZCNJ-IQFISFIMSA-N 458.514 5.206 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C(C)C 23585879 MHPPIDZKIUBVRI-HNNXBMFYSA-N 462.040 5.388 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)n(C2CCCCC2)c1C 26107815 FWKVMWJIBDUVEW-FQEVSTJZSA-N 450.633 6.097 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nc2cc(-c3ccccc3)sc2c1=O 26163182 LJGXKHMTDUODQH-MRXNPFEDSA-N 478.624 5.045 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(Br)s2)cc1 32612198 GAJGUXOOFWZGCF-UHFFFAOYSA-N 457.418 5.647 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2cccc(OC)c2OC)n1 32787253 UTSKCNWGTZVTRB-UHFFFAOYSA-N 464.616 5.488 30 20 JKED O=C(Nc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1)c1ccc(F)cc1 107868113 YUPRHYYUYHLDBL-UONOGXRCSA-N 476.392 6.404 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 139839348 FGEVZNTWPYLSFD-UHFFFAOYSA-N 464.550 6.606 30 20 JKED Cc1cc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)ccc1F 195580394 ABRHYPUANRSQSC-KRWDZBQOSA-N 466.925 5.770 30 20 JKED C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2scc(-c3cccs3)c2c1=O 216811651 IRSSZYFOBZSEGH-UHFFFAOYSA-N 469.569 5.256 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 247650524 MYHBJSVPTZLFBA-UHFFFAOYSA-N 457.534 5.125 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](Cc3ccccc3Cl)c3ccccc3)CC2)c1 409610492 FXLOGERYDWZODQ-AREMUKBSSA-N 487.003 5.556 30 20 JKED COc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)c2ccccc2)cc1Br 485442193 SHYWHMRSJQKWFD-WAIKUNEKSA-N 465.347 5.002 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)sc3Cl)s2)c(C(F)(F)F)c1 487472061 KZRMYLTUQIGFRA-UHFFFAOYSA-N 462.305 6.245 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1C#N 491195200 HNQBIDAAWPAWKI-HNNXBMFYSA-N 474.561 5.435 30 20 JKED C[C@@H]1[C@@H](n2c(SCC(=O)Nc3ccc(CC#N)cc3)nc3ccccc3c2=O)CCC[C@H]1C 499325668 VXMXLSJTODBIAU-STSQHVNTSA-N 460.603 5.191 30 20 JKED Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 502399821 PYBZPUZCOXMADN-SFHVURJKSA-N 453.502 5.433 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 509922499 DHCSSUBSOSFFSQ-SFHVURJKSA-N 457.965 5.422 30 20 JKED CC(C)Oc1cccc([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 510213598 QYNGXUVCAYNZCG-HNNXBMFYSA-N 453.593 5.372 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(OC)c1OC 510733115 QZTNOTCLOFSUCV-KRWDZBQOSA-N 461.518 5.568 30 20 JKED N#Cc1ccsc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 512045262 LIQKQBWCYBKWTH-UHFFFAOYSA-N 453.502 5.471 30 20 JKED C=CCN(C(=O)c1cccc(C(=O)N(C)CC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 512045904 PDFLEYRCEUGBMZ-UHFFFAOYSA-N 474.413 6.042 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 514030672 JGDNMMNDIBIETJ-UHFFFAOYSA-N 470.323 5.181 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccc3oc4ccccc4c3c2)CC1 515108364 BOJVWXKCTJYYSL-UHFFFAOYSA-N 453.458 5.060 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl 515130489 ZVSBCIUEMHSTPY-DEOSSOPVSA-N 494.016 5.035 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)c1nc2c(s1)CCCC2 515163118 CQTZFWMGUDOBQR-UHFFFAOYSA-N 457.603 5.847 30 20 JKED Fc1ccc(Oc2ccc(CNCc3nccn3CC(F)(F)F)c(C(F)(F)F)c2)cc1F 518776917 SWEKCRPMZYASIC-UHFFFAOYSA-N 465.344 5.825 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1SCC(=O)NCC1CCCCC1 519876546 SBGZXXRLMALCFI-UHFFFAOYSA-N 461.631 5.175 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)CC1 519885224 SVCJCSHXAGSFMW-UHFFFAOYSA-N 484.531 5.391 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 520937596 DOGHXAIYRJJLGK-UONOGXRCSA-N 476.396 5.497 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)c1 521811312 CDZRTKXPVWNOIT-IBGZPJMESA-N 473.602 6.355 30 20 JKED CC1CCN(c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cn2)CC1 523802560 VZROXMFUABOSHV-UHFFFAOYSA-N 471.580 5.241 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524422299 INPICLJEIBSAJL-PIIWDFAUSA-N 481.596 5.384 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)CC2)c1 524554613 REHMPLHQFVKIBE-UHFFFAOYSA-N 470.356 5.523 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCc1ccccc1Cl 556932612 HTCWOVUMOXSGLQ-LJQANCHMSA-N 475.957 5.936 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 603756489 WAPONYGIGRVGML-UHFFFAOYSA-N 471.467 5.259 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cccc(NC(=O)C4CCCC4)c3)c2)c1 604086103 YTMNFBCKJIPUSB-UHFFFAOYSA-N 481.556 5.261 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2cccs2)cc1 604137925 CMLDDZMGJWAMCY-AREMUKBSSA-N 496.592 5.604 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 608840761 CBAVKLSDBPTUTR-FQEVSTJZSA-N 499.958 6.465 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 608851312 MQSIEXVCSWUGNU-NRFANRHFSA-N 464.509 5.150 30 20 JKED Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 608946163 RVEYONDKBFNQQS-UHFFFAOYSA-N 473.623 5.459 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN3C(=O)Cc3cccs3)cc2Cl)c1 609062444 QDQLXSJBSTYXIG-JOCHJYFZSA-N 479.989 5.024 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(Br)c1 609068340 HIZDQZHNRSPPNS-UHFFFAOYSA-N 471.376 5.317 30 20 JKED COc1ccccc1N1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609079934 LQRFVPFUYLQMHI-UHFFFAOYSA-N 476.964 5.153 30 20 JKED CC(C)(CCNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 609088186 OTLKIBGUFGSLCS-UHFFFAOYSA-N 475.976 5.213 30 20 JKED CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609164173 ICZUPSITQPOPPP-BVAGGSTKSA-N 470.960 5.163 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 609398031 CHCHKVVNOWXYGG-KRWDZBQOSA-N 488.451 5.571 30 20 JKED Cc1ccn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)n1 613344217 AYMOFKRIAOLHET-SFHVURJKSA-N 453.354 6.101 30 20 JKED C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 613407067 GZTLBKWGXZPOGO-RDTXWAMCSA-N 474.007 5.003 30 20 JKED C=CCn1c(SCC(=O)N(CC)[C@H](C)c2ccc(F)cc2)nc2cc(Cl)ccc2c1=O 613816881 BZOYJMIILOGRBU-OAHLLOKOSA-N 459.974 5.077 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)N1CCc2ccccc2C1)C(C)C 639394739 PUWGZARULCMVJT-XMMPIXPASA-N 497.064 5.398 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)nnc1-c1ccncc1 639395228 KSGLFADZOKYYLC-GOSISDBHSA-N 462.406 5.588 30 20 JKED C=C(C)CN1C(=O)/C(=C\c2cc(Br)c(OC(F)F)c(OCC)c2)SC1=S 725905177 YARDJYKOSMOVDN-NTUHNPAUSA-N 464.353 5.227 30 20 JKED CN1C/C(=C/c2cccc(OCCCC#N)c2)C(=O)/C(=C/c2cccc(OCCCC#N)c2)C1 726740057 QMTLKAQMMJLDJW-DRPBVWSQSA-N 455.558 5.033 30 20 JKED C#Cc1cccc(N(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)C(C)C)c1 728247709 HCWWKIJQVHPVBZ-UHFFFAOYSA-N 456.571 5.101 30 20 JKED CCOC(=O)Nc1ccc2c(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc(=O)oc2c1 728299232 OXGYTYWNVACGPT-UHFFFAOYSA-N 487.487 5.563 30 20 JKED Cc1sc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C(N)=O)c1-c1ccccc1 728463386 NWEOPIBVZYODFJ-UHFFFAOYSA-N 453.523 5.739 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2scnc2C)C1=O 729146498 RTLAGTMMQYXHAX-FQEVSTJZSA-N 498.605 5.068 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(C)cc2)c1 729668124 CGZVGLATTNRUTL-UHFFFAOYSA-O 464.350 5.020 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1 729767686 RLQLFXGHIXISCI-UHFFFAOYSA-N 458.543 5.225 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2CC)N(C[C@@H]2CCCO2)C1=O 730525444 QREFBEQGGINPTG-GBXCKJPGSA-N 495.645 5.177 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 730528532 FPDRSIRCSLEPKA-LJQANCHMSA-N 461.509 5.391 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3ccc(C)cc3)cs1)O[C@@H](C)C2 730685612 AOBHIRJTWHJNOW-PWZKMPOXSA-N 458.583 5.821 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1)c1nc2ccccc2o1 730690263 QYBTVPLJGFWGKJ-OPAMFIHVSA-N 465.278 5.726 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cocn3)C2=O)cc1 730724903 PJXAYONFWUJIPM-DEOSSOPVSA-N 499.596 5.054 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730945060 LPJFESJNMARHMS-JTSKRJEESA-N 462.550 5.251 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2sc(-c3ccccc3)cc2OC)nc1C 731224964 KLBGVVZBVQQCAV-UHFFFAOYSA-N 469.617 5.174 30 20 JKED N#Cc1ccccc1COc1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1 731314823 VIZVFNBYOKBSSE-UHFFFAOYSA-N 459.962 5.557 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2Br)C1 731400760 TUWMGIWTAMMQMV-KXBFYZLASA-N 460.397 5.449 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccc(OC)c2)n(-c2ccccc2)c1=S 746050422 HBLJECFDNJOWBD-UHFFFAOYSA-N 485.613 5.057 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cc2ccccc2[nH]1 746694043 LTHSGKNMLAZOQJ-DEOSSOPVSA-N 497.555 5.339 30 20 JKED COc1cc(C(=O)/C=C/c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)ccc1S(C)(=O)=O 747061800 ONYHYNMXNFQMRA-CMDGGOBGSA-N 498.910 5.161 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747599224 HOJYGXZRFNUTOD-SFHVURJKSA-N 474.970 5.096 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cscn3)C2=O)cc1 747600240 OISUUWYIMQSJCF-NRFANRHFSA-N 464.616 5.229 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1F)c1nc2cc(Cl)ccc2s1 748010462 QRQJWWVPSFHCBL-CYBMUJFWSA-N 469.788 5.961 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2C)n1 748036374 MBRXVGVMYHCMOR-QFIPXVFZSA-N 492.576 5.007 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 749704925 HFROAFVYSUVVAD-RBBKRZOGSA-N 495.649 5.249 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])SC1=Nc1ccc(SC(F)F)cc1 799209926 JBFAXTOCYHDYII-KRWDZBQOSA-N 494.545 5.198 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@@H](C)c3ccccn3)C2=O)c1 837406239 WRJKZZNJVUBHHR-CYFREDJKSA-N 488.613 5.429 30 20 JKED O=C(c1ccc(OC(F)F)c(Br)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 883978155 GUHUCAIPJXRGEG-IUCAKERBSA-N 470.154 5.253 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 914548551 LAWYMXRPNBQNDM-HXUWFJFHSA-N 498.967 5.043 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1 915086866 XQYYAIOMPGNRJT-ZJSXRUAMSA-N 478.379 5.892 30 20 JKED COCCOc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1OC 915993484 RFDFXMFJRKJGOJ-YVMONPNESA-N 457.866 5.438 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)cc1OC 916209647 POAAQZVXMSTJCQ-OAQYLSRUSA-N 499.976 5.111 30 20 JKED N#CCOc1cccc(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)c1 916411201 TWIXXQIVYFNXCI-UHFFFAOYSA-N 490.635 6.110 30 20 JKED CNC(=O)c1ccc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 916684007 RPBNRBYABAZWMX-XMMPIXPASA-N 472.976 5.552 30 20 JKED N#C[C@@H](C(=O)COc1ccc(-c2ccccc2)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916848038 ZAQKDNSDUFMMQD-SFHVURJKSA-N 489.984 5.851 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 916898879 FJFCSEDLOIFAGZ-JWQCQUIFSA-N 467.569 5.020 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 916954570 JGOBSSHYBOLOTN-AOMKIAJQSA-N 489.645 5.386 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1nc2cc(Cl)ccc2s1 917046569 LAFNDNSUFHUWQI-KRWDZBQOSA-N 492.969 5.001 30 20 JKED N#C[C@@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)ccc2s1 917046918 NOPHOGMLUTUZOK-RBBKRZOGSA-N 489.984 5.664 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C 917424221 GTXNWRUWSQBEHN-MRXNPFEDSA-N 459.493 5.710 30 20 JKED Cc1ccc(Cn2nc(C)c(C=Nn3c(S)nnc3-c3cccc(Br)c3)c2C)cc1 917594749 IMSQGOPWKPFNHE-UHFFFAOYSA-N 481.423 5.049 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccsc2)c1 917666566 IURQZBBMQTVLBT-QFIPXVFZSA-N 493.610 5.120 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc2ccccc2c1 917698732 BWWVAFBISQWASH-JOCHJYFZSA-N 498.004 5.109 30 20 JKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C(F)(F)F)cc1 918106055 WXLVBFCTACIYDU-HSZRJFAPSA-N 492.526 5.926 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)CCOc4ccccc4)C3)n2)cc1 919665567 CBGIOQDVAXJJOW-GMAHTHKFSA-N 473.598 5.003 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(Cc2cccc(F)c2)C(C)C)c1=S 919951325 RGCWYTUJBHEZKB-QFIPXVFZSA-N 454.571 5.120 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(C)cc3Br)n2)cc1 920138834 KTDUJCFVSPDBNU-RHSMWYFYSA-N 471.376 5.533 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(COc4ccc(F)cc4)n3)n2)cc1 920143527 RETDYXJDGHEQIN-SFHVURJKSA-N 465.531 5.483 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2F)no1 920353467 KHLDDTVWTWBNQR-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c1 920353536 MBNVLNZHPCONMD-QFIPXVFZSA-N 462.575 5.069 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 920478697 PUAZUVHKQNTFNB-FDDCHVKYSA-N 499.567 5.196 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Br)CCC2)cc1 1786676545 QIFLEDAOTSGXMB-UHFFFAOYSA-N 477.399 5.255 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ncc(OC(F)F)cc3Cl)cc2)CCC1 1787112144 VTHMOMVTNFWICB-UHFFFAOYSA-N 481.952 5.003 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)NCCC#N)CCC2)cc1 1788360778 FCDPHGNJGQMQEM-UHFFFAOYSA-N 495.627 5.087 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncoc5c4)cc3)CCC2)c1 1789078841 OLRZSMUUMJULCO-UHFFFAOYSA-N 450.498 5.069 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cc2)CCC1 1789191513 KXHZCRCZKIDPDZ-LZYZMGNXSA-N 461.606 5.439 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/Sc3ccc(C)cc3)cc2)CCC1 1789489916 DTPXVHSALJUCFP-WORNYLJVSA-N 450.604 5.326 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cnc4Cl)cc3)CCC2)c(Cl)c1 1789718590 PKDMWQWYUKSKRH-UHFFFAOYSA-N 483.330 5.461 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CCC1 1790228029 JSTNSDIQNLLJHO-OAHLLOKOSA-N 462.377 5.542 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccc(Cl)cc5nn4)CCC3)cc2)c1 1790255947 HADZLFGZKJYSFB-UHFFFAOYSA-N 481.943 5.216 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1790566933 FIYNBCXOSRIEGF-MRXNPFEDSA-N 486.494 5.126 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CCC1 1790740686 KBZWAUGXSNYYRZ-KRWDZBQOSA-N 470.598 5.296 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4S)CCC3)cc2)cc(C(F)(F)F)c1 1790785581 SHLNGTQRSRGCCF-UHFFFAOYSA-N 496.514 5.322 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H](C)CC=C)cc2)CCC1)NC(=O)OC(C)(C)C 1791252045 GSPRHZXQLSJESA-UGKGYDQZSA-N 469.626 5.192 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)CCC2)cc1 1791584331 YTHBOHPGBBSPIK-DEOSSOPVSA-N 495.664 5.398 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Br)cc4c3)CCC2)cc1 1791584382 MUOPVCIFSKGGOL-UHFFFAOYSA-N 490.401 5.549 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cn(-c4cnn(C)c4)c4ccccc34)CCC2)cc1 1791727320 CWOBHMLPYJUINL-UHFFFAOYSA-N 493.611 5.305 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccs4)on3)CCC2)cc1 1792240270 UKRUMKPHHPYXHW-UHFFFAOYSA-N 498.564 5.101 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC3CCCC3)CCC2)cc1 1792328868 WWGHSVCNXSUOFV-HSZRJFAPSA-N 481.637 5.008 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2cccc(OC)c2)c1)c1ccccc1 1794604613 QAOQVMQZOXGZOQ-RVUATISTSA-N 495.623 5.139 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)Cc3ccc(C#N)cc3)C4)ccc21 1799314010 AYVVPDSWIKKVEO-QEIWAGNOSA-N 490.607 5.181 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(Cc3ccc(F)cc3)c2)cc1 1800284018 ZKZZTTQYLARKGP-OUOZDZGXSA-N 481.571 5.048 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccnc1 1802500525 ABJURYOROCZQJC-CVDCTZTESA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c(F)c2)[C@@H]1c1cccnc1 1803499666 BAPIPCBDAWBJRV-BVAGGSTKSA-N 465.613 5.160 30 20 JKED Cc1scc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c1C 1806055973 TUCBGIZMFXCCMD-DQXHVOOISA-N 472.614 5.020 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807836182 NURGLGGFNCCLDH-WNJJXGMVSA-N 494.639 5.540 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1810489811 OFCRUNCPSQASFG-UGKGYDQZSA-N 489.538 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1810495066 NPHYNVMVRKVMHZ-NAKRPHOHSA-N 496.655 5.764 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1810495184 KCFJLNQHKSSJAP-AZUAARDMSA-N 477.527 5.314 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810602653 VAKNRJNWUQABGQ-WZONZLPQSA-N 473.951 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810946271 GSYJWOSOOOUTOH-DENIHFKCSA-N 491.529 5.552 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1812676228 NCNBUVHROUYYCD-UZLBHIALSA-N 482.358 5.228 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1812759952 SZJQCLFUNWGSGL-HDYVOGQZSA-N 480.612 5.140 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@@H]1c1cccnc1 1813229218 LCZVXGZMJGDRJP-MUAVYFROSA-N 494.595 5.336 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)ccc2[nH]1 1813867109 BQDDMPGYKADBNE-UUPLDMHLSA-N 491.595 5.132 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813978153 WXGXVWLXHOOXCX-KSFYIVLOSA-N 478.807 5.165 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1813989357 XYYPOYXUDRDXOP-BVAGGSTKSA-N 493.623 5.322 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814110095 CPDHHKCLYUWMLF-OFSOJUDTSA-N 473.661 5.474 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1c1cccnc1 1814290491 YSYXXWQRPVSLCM-NYEVAOKNSA-N 471.645 5.202 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814738615 BJZLDHOYKYZFFM-VWLOTQADSA-N 485.588 5.009 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[nH]n1 1815219243 CVYIJDMXNZGDKM-MGPUTAFESA-N 491.419 5.032 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1815243140 LXZQFZRNPNOWQT-IEBWSBKVSA-N 485.576 5.071 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1815654274 WINIFFMCDLPVGB-QGZVFWFLSA-N 475.039 5.503 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2scnc2C2CC2)n[nH]1)c1ccccc1 1816254895 JRUFZLDQUOQIEJ-UNMCSNQZSA-N 487.629 5.247 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)n[nH]1 1817792606 CUQZVEVUHRFRNP-UUOWRZLLSA-N 482.588 5.471 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cnccc34)n[nH]2)c1Cl 1819129013 CIVYKEUISJBMOL-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820079242 BMKGCSONDJBDDA-NLFFAJNJSA-N 497.599 5.226 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)[nH]n2)c1Cl 1820218296 SATPCLQISUMTDY-ZQAUEJBPSA-N 495.917 5.232 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1 1820486054 SQINMMPXNVEUMU-QHCPKHFHSA-N 471.561 5.078 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 1821087616 XPKDPXDDVMDOSW-FZKQIMNGSA-N 452.452 5.086 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c(Cl)c1 1821277341 WIOTVGXISLGGFE-FQEVSTJZSA-N 486.334 5.347 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1821987834 UTSLVFBKZPJTJA-QGZVFWFLSA-N 461.900 5.062 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1)C(F)(F)F 1822283056 QZMZUUAMMFUOKN-LJQANCHMSA-N 480.556 5.152 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1822582670 RVYHERWTDDAISJ-SFHVURJKSA-N 465.356 5.355 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)[nH]n1 1822583006 AOXHBUHRGXVYSL-IYPOZPNPSA-N 489.439 5.133 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)[nH]n2)c1 1823211193 LIVYLIGHUCXMRY-MWTRTKDXSA-N 493.970 5.378 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1Cl 1823215790 DYKALCQJCOLVLA-JTSKRJEESA-N 475.980 5.618 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c1Cl 1823980617 PGUUSGGGZJHYMQ-DEOSSOPVSA-N 499.989 5.356 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1 1823987542 SIXWMCLLYDTABM-SANMLTNESA-N 496.026 5.146 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(F)ccc(F)c2F)CC1 1824140221 XXEAHVPGXWBBOW-QHCPKHFHSA-N 462.556 5.035 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1824141181 JRUXFTUSUAVRDQ-QFIPXVFZSA-N 469.029 5.170 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824871290 RVLKTCHDIPLOCB-OAQYLSRUSA-N 468.947 5.044 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCc2c[nH]c4ccccc24)CC3)c1 1827693023 JSOKLBWPUGCHMI-UTKZUKDTSA-N 497.624 5.110 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1827806733 VBGMPHIFLADQLC-QFIPXVFZSA-N 489.563 5.494 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829010971 KOLBTOACTXBGAR-HOFFIASOSA-N 473.617 5.552 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1)c1ccccc1 1829033120 UHBXFJVKFINDNN-UPVQGACJSA-N 499.577 5.464 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCCn3cccc3)CC2)c(Cl)c1 1829037586 ANRXPMRWXJAIOJ-VWLOTQADSA-N 481.040 5.117 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)cc1 1829896558 LTLPYODRMHENSD-XMMPIXPASA-N 481.999 5.217 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)cc1 1830014817 IUWAPARAYKWSFL-RUZDIDTESA-N 474.992 5.240 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1830607177 ZETQKJXVVWXMLH-DEOSSOPVSA-N 481.637 5.070 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3ncccc23)CC1)c1ccccc1 1830919578 VFFJFKOYPXFEAZ-LSYYVWMOSA-N 494.639 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCc3cccc(OC)c3C2)CC1 1831299400 HWIRVMXGGQLVOM-SLQPCKNISA-N 478.677 5.188 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1831446736 HEBVDMPQGPZMSR-LJQANCHMSA-N 483.943 5.001 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1831447669 ZYQWLCQUMISIQS-DEOSSOPVSA-N 467.560 5.193 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832629112 JKZZLULJHDQZQI-HOFKKMOUSA-N 487.644 5.243 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1832925130 VALBMABHRPXILL-ZEQRLZLVSA-N 489.701 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)CC1 1836696654 NJJUNXXZSSDGPM-UHFFFAOYSA-N 484.637 5.421 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)Cc1c[nH]c3ccc(OCc4ccccc4)cc13)C2 1841320544 XLGOSGIKKNDHFT-UHFFFAOYSA-N 497.639 5.261 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)C1 1844654676 XSMCUWDKNRGVLI-FQEVSTJZSA-N 459.615 5.482 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C#N)nc3ccccc3c2=O)cc1Cl 8953253 LNKMPDGQQYAEBT-OAHLLOKOSA-N 490.972 5.039 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccc(Cl)cc1Cl 9225060 NBYDXICROYLJPS-UHFFFAOYSA-N 479.389 5.186 30 20 JKED C[C@@](C#N)(NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)C1CC1 9823697 UDVIPVOITOFIIW-QHCPKHFHSA-N 486.428 5.201 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccccc2OC)cc1 10118168 RKXKTVPZXADJLX-UHFFFAOYSA-O 470.412 5.359 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc(Cl)cc1 10832203 NUZLZIFSEDBPQU-UHFFFAOYSA-O 452.043 6.538 30 20 JKED CC(=O)N(c1nc(COC(=O)COc2ccccc2C#N)cs1)c1c(C)cc(C)cc1Cl 11212433 XGURCMRKPHALAZ-UHFFFAOYSA-N 469.950 5.092 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2cccc(Cl)c2C)cc1 11256611 DIWMCOJREBEADO-UHFFFAOYSA-O 488.858 6.312 30 20 JKED C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccc(OC)cc1 14083168 OUPXNQWHUBVEDA-UHFFFAOYSA-N 479.631 5.073 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2ccc(N(C)C)cc2)c1 14872092 GTJJNIQARPAQRD-UHFFFAOYSA-O 480.657 6.320 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1Cl 15001645 AEZYZDXHOYUMLC-UHFFFAOYSA-N 498.885 5.530 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1Cl 15797457 RIRRLJNTLTWOTP-UHFFFAOYSA-N 485.343 5.770 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1cccnc1 16768605 VZGXJUDLWRLQNI-QFIPXVFZSA-N 457.559 5.007 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nc2ccccc2c1=O 17231582 HYBDHKSBGZMVEY-QHCPKHFHSA-N 457.555 5.063 30 20 JKED COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCCCC#N)cc(OC)c1OC 21712656 PPWQKELZZNODNZ-XDJHFCHBSA-N 472.541 5.598 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1cccc(Br)c1 22732571 QSSXOYTYXDCTEB-UHFFFAOYSA-O 476.366 5.628 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(N(C)C)cc2)c(Cl)c1 22732838 HRGJWFZQJAHLSH-UHFFFAOYSA-O 459.060 5.731 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)NCCc2ccccc2)cc1 22735916 HUJHHCJJTXUQKN-UHFFFAOYSA-O 457.663 5.531 30 20 JKED N#Cc1ccc(-n2c(SCc3coc(-c4cccc(F)c4)n3)nc3ccccc3c2=O)cc1 26118164 NHQHEXBGFILSPF-UHFFFAOYSA-N 454.486 5.344 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 26426644 WKNAZZZQPIXQEP-UHFFFAOYSA-N 496.551 5.084 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 29202736 QOCSBEKVBCMNND-UHFFFAOYSA-N 497.555 5.116 30 20 JKED C=CCn1c(SCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)nnc1-c1ccccc1OC 32326408 UNNOWHWJUBRWPV-UHFFFAOYSA-N 491.638 5.573 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1Cc1ccccc1 32917950 DUJKGNXYGSHXCE-UHFFFAOYSA-N 465.347 5.328 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1ccco1)Cc1ccc(C)s1 109203999 LBRFWKUSVJAIHQ-UHFFFAOYSA-N 489.391 5.290 30 20 JKED C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 195623255 DKAIXEADHJXVBQ-LBPRGKRZSA-N 475.364 5.246 30 20 JKED COc1cc(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)ccc1S(=O)(=O)C(F)F 195741313 PGLXCHZYVXGCQH-ZRDIBKRKSA-N 458.482 5.167 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)cc1Cl 209093936 FTYJEPQROJWDTN-JTHBVZDNSA-N 461.974 5.149 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c1 255426310 DEBFFMIMHGLIQW-OAQYLSRUSA-N 451.523 5.196 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 302988501 RKZXSLGHPMALFL-UHFFFAOYSA-N 471.944 6.211 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@@H](c3ccccc3F)C2)nnc1-c1ccc(Cl)cc1 410295808 CVGSCYXPSWEYRL-QGZVFWFLSA-N 456.974 5.032 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(-c2ccccc2)cs1 410407162 NYLIWVZPKUJCAW-KRWDZBQOSA-N 468.538 5.290 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](c3cccs3)N3CCCC3)cc2F)c1 481601219 WSBCWWSHTDDNNF-JOCHJYFZSA-N 464.566 5.296 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1SC 481973734 KYHBRWQSLALOQZ-GFCCVEGCSA-N 459.593 5.662 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3occc3CN3C(=O)Cc4ccccc43)c2)cc1 484671144 TUCUSXROQLYIBH-UHFFFAOYSA-N 477.520 5.266 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n1 488224762 WASXBVTXQLLRJB-INIZCTEOSA-N 492.573 5.874 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2ccccn2)nnc1-c1ccc(Cl)cc1 498436544 WFWMNFJFHWFXET-UHFFFAOYSA-N 476.005 5.505 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1cccs1 499301520 PUWXTXWEWWQEDW-BOFXEDATSA-N 477.659 5.801 30 20 JKED N#CCCn1cc(C(=O)NCCSCc2cccc3ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 500703862 IHIPKSGPEUOTLB-UHFFFAOYSA-N 485.569 5.188 30 20 JKED N#CCCCCNC(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 505053868 JMIGHODONCSIAM-UHFFFAOYSA-N 461.410 5.023 30 20 JKED C[C@@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(C#N)cc1 505364093 LFOSRRYCTHUIQV-LJQANCHMSA-N 469.976 5.967 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc1C 505750088 OJBFPJIKFXGNHO-UHFFFAOYSA-N 498.631 5.147 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 508869899 ZNOLSAALIPYWSI-VWLOTQADSA-N 470.598 5.536 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1F 510042918 HRWOLYGIHGUPSW-QHCPKHFHSA-N 490.966 5.433 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1c(C)nn(Cc2ccccc2)c1C 510504614 ATXJACZDBHHUDT-UHFFFAOYSA-N 465.557 5.842 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 510900384 CVWZJDRCJHNPDL-UHFFFAOYSA-N 460.578 5.306 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCc3c(Cl)cccc32)cc1Cl 516730293 BMXDGLOQEDGKIU-OFNKIYASSA-N 464.352 5.391 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccncc1 516826630 GLLSTKZTLNODOK-SFHVURJKSA-N 488.642 5.333 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 517101726 ADUUIEREWBLGPQ-UHFFFAOYSA-N 473.602 6.292 30 20 JKED CCN(C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)c1cc2ccccc2o1 517822051 AZCLGRRYGQMUFK-HXUWFJFHSA-N 481.552 5.626 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nnn(-c3cccc4ncccc34)c2C)cc1 518732599 GLEDKLHAKAJAPR-UHFFFAOYSA-N 476.496 5.049 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 518871195 ZEFBIQUAROIGHZ-CYBMUJFWSA-N 474.414 5.783 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 519422741 IRFCXXNGGCJTNV-CQSZACIVSA-N 466.613 5.077 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)nc(O)c2c1C 519504220 FHAOJQBDIXDPPA-INIZCTEOSA-N 490.610 5.938 30 20 JKED C=CCn1c(SCC(=O)NC(C)(C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 520721790 XCNFELPREQKSMV-UHFFFAOYSA-N 461.418 5.582 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)CC2)c2ccccc12 520889270 BYHSGJTUORFGMC-QFIPXVFZSA-N 496.394 5.388 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nnn1-c1ccc2ncccc2c1 520918730 PDEWPDIENRWTDR-UHFFFAOYSA-N 480.915 5.694 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 521258486 YIOJMFKITPMXTH-GOSISDBHSA-N 457.043 5.625 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Br)cc1F 521729756 GZIARMMIJJVXQR-CYBMUJFWSA-N 453.402 5.712 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)c1C 521749713 VOSNPXRSZURGQP-UHFFFAOYSA-N 461.587 5.027 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c1 521800874 SSYIWAMKYUJEQA-LJQANCHMSA-N 479.627 5.751 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 587788426 DHBJJQANLCHDHT-ZFWWWQNUSA-N 484.318 5.354 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 588712428 OIEJEVZOOVLWLN-AREMUKBSSA-N 489.019 5.195 30 20 JKED C=C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 595462692 UQYPLBHNFITTHX-QFIPXVFZSA-N 471.388 5.386 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1Cl 603673348 HQZYSDVTLZSINB-HXUWFJFHSA-N 464.352 6.028 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 603706532 SIHUBMFDYHTOBH-VWLOTQADSA-N 490.563 5.564 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1Cl 603759147 VCEHNFDXIGKRGV-LJQANCHMSA-N 476.945 5.478 30 20 JKED Cc1nc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)sc1SCC#N 603775046 UWADYWXYAZSCMQ-UHFFFAOYSA-N 474.677 5.108 30 20 JKED CCCCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 604160828 XRDHXVOLDLJFHU-UHFFFAOYSA-N 460.509 5.042 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)cn2)cc1 604428919 QSZANVDIVJZBGJ-OAQYLSRUSA-N 479.334 5.113 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 609376650 GYGZKYAQBQKNPX-QGZVFWFLSA-N 479.602 6.061 30 20 JKED COc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378934 BPZDDWWERLHSCN-UHFFFAOYSA-N 450.891 5.174 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 609434624 CWTIUQBOAZIUHG-SFHVURJKSA-N 495.649 5.693 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(C#N)c3)n2Cc2ccco2)cc1 619639480 UPKFERVBEUGVQE-UHFFFAOYSA-N 471.586 5.486 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CC[C@H](C)OC)C1=O 726394205 SWROOKQCDDNQBH-HRAATJIYSA-N 490.025 5.042 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)cc1 726396959 GGWJPYJLJDLLMN-HRAATJIYSA-N 474.026 5.342 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3cc(C)on3)C2=O)c1 726420249 HWWHHDSTTVOLDQ-QKIKLFBASA-N 482.631 5.251 30 20 JKED COc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 726571606 ZBIZFGFWLHBRQZ-UHFFFAOYSA-O 479.025 6.129 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 726755690 UEXHNYUCSUAHPX-OWBHPGMISA-N 482.540 5.028 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C2CC2)cn1 726887510 FUDBXUJBKWXEHJ-INIZCTEOSA-N 499.807 5.173 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1Cl 726891675 PMYZEIZWFFXDEY-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)cc1Cl 726893098 XQYBDYJZDTWSPI-HXUWFJFHSA-N 493.963 5.530 30 20 JKED N#Cc1ccc(C2=N/C(=C/c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)C(=O)O2)cc1 726910030 ZMTRPEQGJJMCEX-SRZZPIQSSA-N 462.292 5.462 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccc(OCC#N)cc3)C2=O)cc1 727650836 VPVMYPQFMYRPRW-RUZDIDTESA-N 498.608 5.366 30 20 JKED Cn1cc(C(=O)Nc2ccc(OC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)cn1 727809593 RYUHPZDQTUGIQL-UHFFFAOYSA-N 468.538 5.056 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C)s2)ccc1Cl 728004477 DACPRDJFTKVAQC-UHFFFAOYSA-N 475.035 5.363 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 728117584 JMCKVWHBNZZTGV-VWLOTQADSA-N 479.502 6.719 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c1 728181926 KVROHNPJBOYXAD-UHFFFAOYSA-N 493.028 5.477 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCCCC#N)cc1 728777773 OFICRASWVZJYLJ-HXUWFJFHSA-N 488.535 5.668 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1scnc1C 729143361 QCRABVZDOUJMPF-IBGZPJMESA-N 468.579 5.060 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 729403539 HRGSEDWFODGEDL-UHFFFAOYSA-N 477.521 5.008 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cc(C)ccc2F)[n+]2ccc(C(C)(C)C)cc2)c1 729670174 NRCLPMMWRXGPII-UHFFFAOYSA-O 469.558 5.150 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 729888068 BUDNZTJAWZMYGP-XMMPIXPASA-N 491.503 5.331 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)c1 730445102 UQHSAMZSNDFZDQ-HSZRJFAPSA-N 476.602 5.111 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccc(F)cc3)o2)c(Br)c1 730549065 IOINCIPKSFYVGC-UHFFFAOYSA-N 488.298 5.186 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cocn3)C2=O)cc1 730713954 VXWYCOPHTMPWAV-HSZRJFAPSA-N 492.601 5.357 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c1 730715169 KPUJFKMDLRAZKY-HXUWFJFHSA-N 468.966 5.105 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 730993901 FPFUWEJQNYSENQ-INIZCTEOSA-N 478.039 5.019 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 731077350 INZWCVNSXDRHHA-KBRIMQKVSA-N 463.386 5.531 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2Cl)s1 731305494 DNYAMNOEBLJKJA-HXUWFJFHSA-N 486.018 5.576 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)c(C)c1 731306818 DHDFWSGUWPGCGZ-DEOSSOPVSA-N 484.581 5.041 30 20 JKED COc1cc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 746345503 FYYJLVKWNVBEJM-UKTHLTGXSA-N 468.575 5.062 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 746697989 RHASGYSFJSXHKS-LJQANCHMSA-N 477.989 5.255 30 20 JKED C=C(C)COc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)ccc1OC 747064059 SYHZYVLGGQZGJM-LICLKQGHSA-N 459.930 5.630 30 20 JKED CCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1-c1ccccc1Cl 748483939 ZMSOEGKJDBMUJB-GOSISDBHSA-N 485.931 5.237 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(NCc2ccco2)ncc1Cl 749134823 SEJHKGWMPHEGHM-UHFFFAOYSA-N 479.737 5.065 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 749181269 HDUPGKLUGXSTRK-HNNXBMFYSA-N 476.346 5.004 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccccc1 750388047 BIKOFJIBYUOCHH-UZLBHIALSA-N 471.586 5.390 30 20 JKED Cc1oc(NC(=O)COC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)c(C#N)c1C 821723071 PTLVBXGENPSSGX-UHFFFAOYSA-N 492.582 5.336 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1C 837299188 DXJYUHHMYODRRG-WZONZLPQSA-N 476.577 5.559 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 873729839 LYYHNFIOLQBQJT-JOCHJYFZSA-N 494.016 5.473 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)s2)cc1 875070577 CWVDYIYRVPEJAE-UHFFFAOYSA-N 465.538 5.085 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)Cc2cccs2)C1=O 914694212 FAKDVHHNWACMSC-AOMKIAJQSA-N 497.617 5.487 30 20 JKED C[C@@H](OC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)C(=O)Nc1ccccc1C#N 914964333 YEVTURDRADHMHM-SNVBAGLBSA-N 452.841 5.629 30 20 JKED CC(=NNc1cccc(Cl)c1C)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 915050814 DMVYHZRQKXWQTN-HSZRJFAPSA-N 461.953 5.246 30 20 JKED N#C[C@H](C(=O)CCn1cnc2sccc2c1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103373 UIISULYGRXNSCX-CQSZACIVSA-N 475.382 5.155 30 20 JKED CCOc1ccccc1C(=O)NCCCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104130 LTRRKZTWMLUAGN-MRXNPFEDSA-N 475.492 5.100 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1OC 915870581 RXXNZEIXCHDSFM-UVTDQMKNSA-N 496.485 6.183 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 916210323 BAQUDDAQCUREJF-QGZVFWFLSA-N 453.461 5.215 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1c(C)cccc1C 916217871 XTPOTGPWZMTYDH-IBGZPJMESA-N 493.551 5.319 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 916901949 ABTBUNRJJPFYKQ-FQEVSTJZSA-N 451.979 5.478 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1)c1ccccc1 916945783 DKJQGGIAMVETJN-VBKZILBWSA-N 454.313 5.490 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 916949087 LUGNWEIJCHOUJZ-OSPHWJPCSA-N 457.505 5.553 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 917504992 IXTWPFMUVXKNNO-QFIPXVFZSA-N 499.542 5.620 30 20 JKED CN(Cc1cccc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918547081 JHBJGVVFSPOLJH-AZPGRJICSA-N 478.618 5.097 30 20 JKED CCN(CCC#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 918872327 HRTJROIQGXMGGO-VLGSPTGOSA-N 459.571 5.092 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cs2)cc1 919638064 XZIVDHWFQBEZQO-XMMPIXPASA-N 477.586 5.409 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1cccc(C)c1NC(=O)c1ccoc1C 919638737 BEQOLRZSPOEJFM-UHFFFAOYSA-N 464.543 5.222 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920105772 LWTMUFRXPRWJBP-KRWDZBQOSA-N 467.472 6.132 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nc3ccccc3c(=O)n2[C@@H]2CCC[C@H](C)[C@@H]2C)n1 921252130 MWHSFVQMHJWPDJ-LBLLVPRASA-N 466.632 5.127 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCc1cscn1)C(=O)N(CCC#N)c1ccc(F)cc1 928987176 UPRHUEYOVYBTKA-MRXNPFEDSA-N 469.563 5.067 30 20 JKED CSc1nc(O)c(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1C#N 1262728772 QMQOGQJKFJCMAV-UHFFFAOYSA-N 484.415 5.084 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 1360447015 IUKFBJMAPGABCT-UHFFFAOYSA-N 455.493 5.278 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)C[C@@H]21 1783542304 SNHAVWNTPPUQHJ-WOVHNISZSA-N 489.616 5.014 30 20 JKED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCCCCCCCCCCc3ccccc3)C2)C1 1785515288 RHOPLNRLSDKKIU-GDLZYMKVSA-N 481.681 5.264 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)c(O)cc4F)CCC3)cc2)C1 1785808589 QGMMAYFLYSAJIQ-UHFFFAOYSA-N 473.342 5.008 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)cc2)CCC1 1786334240 YZNXNXGETFJCJX-FCHUYYIVSA-N 454.517 5.144 30 20 JKED CC[C@H](C)[C@@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)NCCC#N)CCC2)cc1)c1ccccc1 1787716036 MYENBIJMMXULEA-SQJMNOBHSA-N 474.649 5.232 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1 1788649851 BOSUMRPHTVLUDU-AHSLHFTMSA-N 462.615 5.447 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789154166 MPDKCDYLTBOSAK-YYHBVZEZSA-N 475.976 5.290 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)cc2)CCC1 1789193381 VPNHXLAQSJHQKF-CDPNLFKUSA-N 453.627 5.528 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Br)cccc4n3)cc2)CCC1 1789367734 RUGJBCMKXMSROY-UHFFFAOYSA-N 477.362 5.049 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789512404 FZRWVQMMEJAFCM-FQEVSTJZSA-N 491.579 5.122 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C4CC4)CCC3)cc2)c1Cl 1790082003 ZAHHJSOJFQEVKL-UHFFFAOYSA-N 476.989 5.607 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@]3(C)C[C@@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1790428109 UBXZJGORARNVHU-COKJOHSESA-N 469.626 5.026 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1 1790469841 OSCNZSVMJWQCGS-QFIPXVFZSA-N 495.645 5.193 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)Cc3cc4cccnc4cc3F)cc2)CCC1 1790473278 NPFPHFNJJVQPIU-XMMPIXPASA-N 465.594 5.005 30 20 JKED CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123666 OKZZOUUXYRJGBS-GOSISDBHSA-N 470.573 5.624 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCC(F)(F)F)CCC2)cc1)NC(=O)OC(C)(C)C 1792203962 DARZZIDTJDDPMS-IBGZPJMESA-N 497.558 5.323 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2-c2ccc3ccccc3c2)cc1 1796515663 NBXDWFLUEHUAAQ-LGKQTMLJSA-N 486.575 5.339 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1802493542 WYGAKFIEVZGADY-FYYLOGMGSA-N 454.014 5.355 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1802746472 BFASRUMUEYKIMA-VIZSFHNOSA-N 487.522 5.068 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@H]2c2cccnc2)C1 1803223576 WHJSYBCJSWINIG-ZZKVGJHZSA-N 492.063 5.681 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1803453704 GGJAJGIDBXEFEF-DWACAAAGSA-N 494.620 5.024 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1804176303 MKMFZUIAHGTMBG-RXFWQSSRSA-N 485.609 5.220 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1 1805092181 WZRPFDPGGDMHLF-UHFFFAOYSA-N 470.400 5.332 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)s4)C3)CC2)c(Cl)c1 1806798225 BBGJVBQPANHLJP-UHFFFAOYSA-N 476.429 5.014 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1807727491 AXMINFWEGFJCFJ-YADARESESA-N 495.048 5.433 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2cc3cccnc3cc2F)[C@H]1c1cccnc1 1808177189 NJMXWRFYETVREU-WXVAWEFUSA-N 488.607 5.010 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809210978 AJAGMBLJGFKCMR-YADARESESA-N 480.033 5.463 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CC[C@H]3CNc4ccccc4C3)C2)CC1 1809840226 HWSPIFBNUVGXRQ-NOZRDPDXSA-N 463.666 5.051 30 20 JKED Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1Cl 1810277457 QGMBQSKGGUGRJJ-ATIYNZHBSA-N 496.127 5.414 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810432516 ZYHVUEBHFUBQOF-GYZWWNDVSA-N 491.607 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2Cl)[C@H]1c1cccnc1 1810502441 JDKCQALVFYVPBQ-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1811254798 OCFGSGZPLFJBKI-PXDATVDWSA-N 482.024 5.222 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c1Cl 1811421328 YJAMCDZRQIWATJ-SJGURGTRSA-N 477.008 5.063 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1812791032 FOLKEVHBKMWNPM-QMWXCIFZSA-N 451.655 5.318 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1812986276 LOPVVMSMPGQZHI-NVQXNPDNSA-N 478.036 5.056 30 20 JKED C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC=CCC1 1813587936 UCNPHXCQFVBSDA-CHZKFRDHSA-N 496.533 5.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1813990246 GHNOTPRYWAQWSW-CLCZQPDDSA-N 491.607 5.098 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)[nH]n2)C1 1814396765 JICOWJGSHOEEEG-NRFANRHFSA-N 469.545 5.423 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CCCC3)n[nH]2)cc1 1814684715 AAJJAEZDRUVVNR-VWLOTQADSA-N 481.600 5.294 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)[nH]n1 1814829913 ZBQNRMWXHJXDRK-QFIPXVFZSA-N 462.594 5.198 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816462728 WGEKBJKQDPJOLF-NQIIRXRSSA-N 452.599 5.683 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)CCCC3=O)n[nH]1 1818689736 YJTKVONUSYTCAU-QFIPXVFZSA-N 462.594 5.227 30 20 JKED Cc1nc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)ccc2s1 1818702062 OEHPFFMRVKXFCB-QFIPXVFZSA-N 484.585 5.014 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819078469 BXGKPMNQONBLEM-MRXNPFEDSA-N 462.497 5.281 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(C(F)(F)F)n2)n[nH]1 1819932022 CVHGCGKIOCBWGQ-OAHLLOKOSA-N 469.533 5.183 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccncc3-c3ccccc3)n[nH]2)c1 1820006458 GWCKXJLKTPILTB-AREMUKBSSA-N 490.567 5.272 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1 1820805193 XAJIHJZQYITWNC-PZJWPPBQSA-N 487.645 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2cc(OC)ccc2OC)n[nH]1 1820928764 AHLHAPZIHGWFJQ-ISKFKSNPSA-N 494.636 5.210 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(C)cc3)CCCCC2)[nH]n1 1820976317 ILHNXINYYRKJLJ-QPPBQGQZSA-N 493.652 5.413 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2F)[nH]n1 1821986261 DEQASRJLKNRQGI-INIZCTEOSA-N 499.331 5.137 30 20 JKED Cc1ccc(CSCCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1822282142 HUNGZQOJCIHRSM-XMMPIXPASA-N 487.629 5.219 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)ccc(F)c1F 1823199589 DKIHEKLPGDBWHP-LJQANCHMSA-N 483.906 5.141 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccsc3)CC2)cc1C#N 1825303958 IFBTUOQAINEWOX-QLUGYHCRSA-N 491.657 5.354 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(F)cc(F)c3)CC2)c1 1827181489 CXMUBPIFOOKDBF-AFMDSPMNSA-N 479.571 5.068 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1827385124 HJYYDNGRXXTSHI-AMGIVPHBSA-N 484.644 5.471 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)cc12 1827413543 IGPPRKVIGQSTPF-NRFANRHFSA-N 478.643 5.085 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2Cl)CC1)c1cccs1 1827683981 SKOHPUSLHCPXHQ-SHBDEGQCSA-N 489.012 5.213 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)c1 1827875069 ADMQOZZPCJYGRN-HHHXNRCGSA-N 478.596 5.167 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828152479 RPZJVFQFRZPRSD-XMMPIXPASA-N 454.014 5.248 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828508412 YMLMHCYCGOARLP-KSFYIVLOSA-N 489.479 5.154 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1828821399 MPTBCWRSYRSPJX-IZZNHLLZSA-N 487.084 5.887 30 20 JKED COc1ccc(F)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828907796 JFSXEHLYLISPOC-XMMPIXPASA-N 486.704 5.119 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC(F)(F)F)CC2)c(Cl)c1 1830720731 GIVAAVCSZFDOSJ-FQEVSTJZSA-N 469.935 5.178 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1830769927 DJWPUHVQEBGUNH-GDLZYMKVSA-N 492.623 5.476 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1830828410 WRNWFHYHACAOHW-WHSBFGAESA-N 489.664 5.130 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830830145 NTMGQKSVSCJZFO-QFIPXVFZSA-N 475.967 5.333 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978739 VTRBHLYFWBEXTR-HSZRJFAPSA-N 495.570 5.873 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1831373464 PNGGGVGLHJIJAZ-XXAUWVGASA-N 466.666 5.022 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1 1831444524 NHNQRPLTRZIDAJ-NRFANRHFSA-N 452.973 5.104 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832554995 LXQZTECXOJVGTO-SIBVEZHUSA-N 494.035 5.523 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1832629090 ISTRSNNEURHRPQ-VTDLMFMNSA-N 494.639 5.742 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832634130 OELLBLSZWXRDKT-KDYSTLNUSA-N 489.685 5.512 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)c1 1832634550 WRWFIELOKGNEPD-HTAPYJJXSA-N 453.970 5.107 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832706929 XVIWZAAYSBDZGC-LJQANCHMSA-N 476.461 5.289 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CC1 1835683289 XCQWBBOMTUIZNL-HXUWFJFHSA-N 496.454 5.086 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CCc3cc(C)cc(C)c3)CC2)CC1 1838374976 QTRXQPYODWDMFX-MHZLTWQESA-N 466.666 5.003 30 20 JKED CCCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)CC2)cc1 1838390887 SYGBWXGKUGWRMA-UHFFFAOYSA-N 496.768 5.302 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](C)C#N)c3)C2)c1 1846830813 ZMHNSAGDUSVCQQ-SFHVURJKSA-N 494.433 5.330 30 20 JKED CN(C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)C1(C#N)CCCCC1 8989220 LCIPOMJTNUHIIP-UHFFFAOYSA-N 480.037 5.424 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10168392 JWCXLVXKFDXBON-UHFFFAOYSA-O 496.612 6.141 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172469 GKYHERKPQKSGQP-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174211 JQDGNUGEVKTLAX-UHFFFAOYSA-O 475.512 5.495 30 20 JKED COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)c1 14791620 ZXINXXYHTLWQDC-UHFFFAOYSA-N 473.579 6.102 30 20 JKED CCCCSc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 17144790 LTQDUBWMSZGMHC-UHFFFAOYSA-N 461.638 5.092 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)c1 21462685 LHDGMLMPGMAGDH-UHFFFAOYSA-N 469.010 5.287 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc3ccccc23)cc1 22693271 QKJDFPLPVGMROK-UHFFFAOYSA-O 489.611 7.360 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccccc2CC)cc1 22731435 JJHIVXRVJLOMRW-UHFFFAOYSA-O 464.567 5.203 30 20 JKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)c(Cl)c1 22732842 UFKHZJSUZQGMSK-UHFFFAOYSA-O 470.083 6.544 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 22796492 NIMFLEXEFJWCRQ-UHFFFAOYSA-O 470.445 5.976 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nnc1-c1ccc(OC)cc1 23427313 LZUXKLUMVKEJRX-UHFFFAOYSA-N 450.589 5.564 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 23604735 NXRFCBCYZGEBGM-UHFFFAOYSA-O 478.638 5.645 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(SC(F)F)cc2)c1 28781493 FSOMQFQTDSFTMC-UHFFFAOYSA-O 474.534 5.556 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 29151708 OYCBBYAOEFPDOJ-UHFFFAOYSA-N 453.951 5.194 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(-c2ccc(Cl)cc2)no1 29840785 JNXXALRSOBGZND-UHFFFAOYSA-N 457.918 5.178 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c3cnn(C(C)C)c3n2)cc1 29985658 CILOLBUPYCUVRD-UHFFFAOYSA-N 492.627 5.207 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc(-c2ccncc2)cs1 195662785 VLIPMXVWOXWUGC-MRXNPFEDSA-N 479.359 5.432 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 248011385 RLNXCYWRHKXJRS-UHFFFAOYSA-N 491.432 5.140 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 255946807 JDMOFKIVMIUSHT-UHFFFAOYSA-N 483.515 5.580 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 255949288 JOKFRFKVOGVQLS-UHFFFAOYSA-N 495.033 5.469 30 20 JKED CCN(C(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)[C@@H](C)c1ccc(C#N)cc1 302963459 PIANZBIGILRTOY-DFBJGRDBSA-N 456.546 5.060 30 20 JKED CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 303193283 MTJFCHKVSTWVKE-SANMLTNESA-N 488.563 5.191 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)cc2)c1 303349743 NGPGDOVOTOECCD-HSZRJFAPSA-N 478.346 5.718 30 20 JKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CSc1ccc(C#N)cc1 482264323 DDYFJMSPEGSYRU-UHFFFAOYSA-N 475.570 5.339 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1cc(Br)ccc1F 484949771 WLXFRMXBCYQTOX-UHFFFAOYSA-N 496.336 5.158 30 20 JKED N#Cc1c(CCCNC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)nn(-c2ccc(F)cc2)c1N 491938344 JHDHUOXHFAOGLI-UHFFFAOYSA-N 493.586 5.108 30 20 JKED N#Cc1cn(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c2ccc(Cl)cc2c1=O 502819114 ZWYYMQXCFSKYQM-XMMPIXPASA-N 462.336 5.086 30 20 JKED COc1cccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 503670268 JUQDANNNHMAFLN-XMMPIXPASA-N 468.557 5.030 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1nc2ccccc2s1)c1ccccc1C(C)C 505857081 NSQMTRWACIZPEK-UHFFFAOYSA-N 494.624 6.248 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507879324 RISJESFGVBSYOZ-QFIPXVFZSA-N 479.989 5.494 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508254887 XDUGNZBRXVTXRU-DEOSSOPVSA-N 487.556 5.581 30 20 JKED CCN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)[C@@H](C)c1ccc(C#N)cc1 509562780 ZVVXQIXZRFTYMO-INIZCTEOSA-N 450.336 5.731 30 20 JKED CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@H](C)c1ccc(C#N)cc1 509574914 KVEVBXNMPDOPBW-OXQOHEQNSA-N 458.389 5.327 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 510679702 IIPSECVCRHRSHH-UHFFFAOYSA-N 463.541 5.655 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)c2)c1 511464303 OLCWBLRGHZTBMP-QHCPKHFHSA-N 450.502 5.056 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 512760204 JOSNGZXMLZJGEZ-UHFFFAOYSA-N 470.573 5.397 30 20 JKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513215470 YISIHQXCFSPNAC-GOSISDBHSA-N 457.364 5.300 30 20 JKED CC(=O)N(c1ccccc1)c1nc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cs1 514650568 SGQWQPHHZKJYLR-UHFFFAOYSA-N 472.595 6.135 30 20 JKED C[C@H](c1ccccc1)n1c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccccc1 515574094 GYXCEYMVVLYYAV-NTKDMRAZSA-N 465.582 5.324 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)s2)cc1OC 517492205 NBLMWEUYUDJUCQ-HNNXBMFYSA-N 462.358 5.437 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1Cl 517896179 YDMXTVBFBAJJBL-GGAORHGYSA-N 491.954 5.562 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c2ccccc12 518240928 LYKVFDJWOZXPQL-IBGZPJMESA-N 487.625 5.734 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4ccccc4C#N)c3)n2)cc1 518515525 YQKZTKVPLCZRGW-DEOSSOPVSA-N 460.518 5.623 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)oc12 518748381 OJSAATOVVUARJW-KRWDZBQOSA-N 469.497 5.311 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 518750458 PRVBLIYRGKZEOL-HXUWFJFHSA-N 495.608 5.188 30 20 JKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c1 520292529 OAZZHTNEACFVEK-BWKNWUBXSA-N 469.976 6.549 30 20 JKED C=CCCO[C@@H](C)C(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 520685309 DTKHBMHJVUZVGB-MAUKXSAKSA-N 454.514 5.322 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 521333521 KPBKWOSUBFXCFI-KNQAVFIVSA-N 482.609 5.449 30 20 JKED CCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 522427811 RZYIEXMMQKVDPD-SFHVURJKSA-N 454.958 5.164 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 523375135 GGSBWMAGOWNZKU-DOTOQJQBSA-N 464.381 5.800 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1 523597024 SGNKFMKACKJJPB-UHFFFAOYSA-N 484.506 5.936 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)sc2nc3n(c(=O)c12)CCC3 524422764 DNRJBRLJCWNOSN-UHFFFAOYSA-N 490.972 5.069 30 20 JKED C=CCn1c(SCC(=O)NCCc2ccc(OC)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 590546913 KTMLVROEPWZQSX-UHFFFAOYSA-N 495.407 5.037 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CC(C)C)c1cccs1 604119197 HIRWTUBELWHVKT-INIZCTEOSA-N 451.386 5.063 30 20 JKED CC(C)N(C)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604137828 SVHKGJFXAILORM-UHFFFAOYSA-N 490.991 5.099 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 604522930 YFAKHFHMJPVVKG-YIXXDRMTSA-N 455.558 6.291 30 20 JKED CC(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)(c1ccccc1)c1ccccc1 609166335 VCKHMITWXQMBQW-UHFFFAOYSA-N 456.596 5.647 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1 609378658 WVDBUDKZAIRREB-UHFFFAOYSA-N 465.497 6.150 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 609403369 QKVHTKLTJZUETB-WZONZLPQSA-N 478.017 5.630 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 609413860 PXOQRWYVOYDJCS-UHFFFAOYSA-N 498.004 5.408 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nnc1-c1ccc(OC)cc1 614508221 RBQBUIPFNQEYEO-UHFFFAOYSA-N 495.605 5.712 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618303362 LMCXQIBRBAIXQV-ZIAGYGMSSA-N 499.377 5.971 30 20 JKED O=C(NCc1cccnc1Oc1cccc(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618552157 KRSOTPDNORJLIR-KBPBESRZSA-N 465.369 5.285 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 726307843 KQHLUUUMVRWVIV-KMRXNPHXSA-N 475.548 5.950 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 726392446 GVYWJAYMJVZPQM-IFXJQAMLSA-N 497.514 5.230 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccsc2)c1 726398634 UWYFRQKRJBVIOS-JOCHJYFZSA-N 495.626 5.234 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)cc1F 726412357 RISBFBYVHWMDDC-HXUWFJFHSA-N 487.553 5.195 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)s2)c1 726413553 UDDIGPBCRCIRLN-JOCHJYFZSA-N 477.586 5.337 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1NC(C)=O 726428334 KBNZHHKADFSVTL-KMKOMSMNSA-N 450.422 5.389 30 20 JKED O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 726720565 XLOBAUIDINSPCU-CHWSQXEVSA-N 489.407 5.029 30 20 JKED Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2ccccc2C(F)(F)F)n(Cc2ccco2)c1C 728061426 SMUJYYBXJGCMKM-QFIPXVFZSA-N 470.495 5.412 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728150147 OZVCXNXVCACQMR-JOCHJYFZSA-N 494.473 5.375 30 20 JKED CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728392669 LWXZMFCFKSYYMN-UHFFFAOYSA-N 455.493 5.126 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CCCCC#N)C2=O)cc1 728777311 KCOHHFJHEXJIST-FQEVSTJZSA-N 472.973 5.442 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)c1 728778907 VNSYWEKFQUDJRW-DEOSSOPVSA-N 470.598 5.802 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)c1 729634333 KLBXVYGRVVUCRL-XMMPIXPASA-N 488.613 5.176 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 729635025 ZIKIAAVCVYTRHK-JOCHJYFZSA-N 496.995 5.651 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 729669229 RJODUTCZPWDTLG-UHFFFAOYSA-O 499.612 5.612 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c1ccccc1 729889240 LYRMXYLUXXUYMZ-VQTJNVASSA-N 455.942 5.034 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCC3)C2=O)c([N+](=O)[O-])c1 730460601 CERBNPAAJOQIMP-LJQANCHMSA-N 472.954 5.069 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(C(=O)O)s2)c1 730590393 RPDPCXVUYDUAAR-CSKARUKUSA-N 460.511 5.212 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2Cl)s1 730715004 JCIKLKYKNZJPHV-KSSFIOAISA-N 486.022 5.221 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730943951 NZPQMIFVZQFLHZ-CYFREDJKSA-N 488.613 5.429 30 20 JKED Cc1ccc(O[C@@H](C)C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(Br)c1 731073383 VXBXPDFFDBNHJB-CVEARBPZSA-N 491.407 5.101 30 20 JKED Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731074836 SIJOGOFPEXBXQT-QGZVFWFLSA-N 453.589 5.345 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccccc2S[C@H](C)CC#N)c1 731320017 JOMVJRRQCHTXFJ-QGZVFWFLSA-N 476.693 5.229 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 743675092 TZPXUFQKRJEKHX-UHFFFAOYSA-N 477.586 5.098 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccc(Cl)cc1 746164698 AKTNPVMGBJKUCN-AWEZNQCLSA-N 499.955 5.370 30 20 JKED CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)cc1OC 747066839 PXNYGCOIUCLASH-ALCCZGGFSA-N 474.909 5.038 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2nccs2)C1=O)Nc1cccc(Cl)c1 747598858 FNQXUECEFOSISJ-SFHVURJKSA-N 488.997 5.139 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)CCC)c1 747682850 CKRDYMARSFVTSH-UHFFFAOYSA-N 465.015 5.038 30 20 JKED CCOc1cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)cc(Br)c1OC(F)F 750907715 ATGLANUDMFEHEI-FPLPWBNLSA-N 457.315 5.740 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CC(F)(F)F)C1=O 799220469 CZJYWGNMBROMKV-LJQANCHMSA-N 479.524 5.306 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@H](C)c3ccccn3)C2=O)cc1 837300330 GCMBMQIIBLJUPY-WAIKUNEKSA-N 490.560 5.145 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 837363253 QDMBLKYLWQNEIR-NTKDMRAZSA-N 488.613 5.429 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 837743702 FNMOLVOCOWDBTR-BTYIYWSLSA-N 466.513 5.081 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(N3CCCC3)n2-c2ccccc2Cl)cc1 857639270 NRGLQVFVQWBRSK-IBGZPJMESA-N 495.052 5.257 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1 914549004 XHNZPDKYJPVJCR-VGOFRKELSA-N 479.005 5.134 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)n2)cc1 915100450 QVEIBWAEIHKBSR-OAQYLSRUSA-N 497.542 5.866 30 20 JKED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102656 CCRRDDAKEQAYNE-KGASDJBWSA-N 476.570 5.097 30 20 JKED C=CCN1C(=S)N[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916168105 XTCLYLGKQIQVDN-FQEVSTJZSA-N 461.509 5.044 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccccn3)C2=O)cc1 916204998 CLZDHFZWHIWGDR-DEOSSOPVSA-N 488.613 5.339 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)c1 916208282 YOLNFRNJAHDRCT-HSZRJFAPSA-N 476.577 5.041 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)o1 916740606 XSHKMVJANGLGBO-UHFFFAOYSA-N 467.529 5.358 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc1 916932730 CJNXRFHWMJYZAJ-QHCPKHFHSA-N 497.551 5.141 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916938793 NVLKSAUCTUSZNI-SFHVURJKSA-N 463.871 5.582 30 20 JKED COc1ccccc1-n1c(C)nnc1SCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977180 MDXSZAXBTAAMPV-KRWDZBQOSA-N 496.017 5.330 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 917377116 QUBOTXXWJZHSAT-DEOSSOPVSA-N 485.385 6.159 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cs1 917562020 TYTMFKNGEGLCSI-XQNSMLJCSA-N 495.629 7.169 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)c1 917665068 STGNFFIDFUIHLP-FBLLAGFSSA-N 490.673 5.199 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)c1 917675391 YAYMMQQBEDSZSH-HSZRJFAPSA-N 477.561 5.133 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(Cl)cc2)n1 917678910 ULJPZIYQAQXGLP-NRFANRHFSA-N 482.968 5.343 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)c(C)c1 917702014 PSHVAQKUDWNAAC-XMMPIXPASA-N 486.572 5.475 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 917714816 ZELZSLZAWBVPKZ-HXUWFJFHSA-N 475.536 5.952 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1 918034477 QPFHDHBRIHWFON-QFIPXVFZSA-N 477.362 5.255 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 919812244 VTEMYLIIPPNNKQ-UHFFFAOYSA-N 457.331 5.203 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 920109687 HZTLBKGZPSPTER-HXUWFJFHSA-N 493.325 5.946 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)s1 920169681 UZQSMICNRUCJFC-HTAPYJJXSA-N 474.611 5.650 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(O)cc2)CC3)cc1 921249409 HQAPJIMPVNWSBF-FXBPSFAMSA-N 489.531 5.289 30 20 JKED C[C@@H](OC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 923551008 RMPHDFHXAGQXBW-AJCRVFRXSA-N 487.730 5.638 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(n3C)-c3ncccc3OC4)CCC2)cc1 1786103816 FHDIWNXYDGLOKR-UHFFFAOYSA-N 496.611 5.496 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Br)c3OC)CCC2)cc1 1786679603 ZJANQHHDECCABC-UHFFFAOYSA-N 489.435 5.125 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)CCC5CCCC5)cc4)CCC3)c2c1 1787619053 CHFXHEHIJUTWET-UHFFFAOYSA-N 455.562 5.153 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)CCC1 1788837455 YECMNVMPFOSDKV-UHFFFAOYSA-N 475.614 5.541 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789074332 WEIGYXLCZDMDJA-UHFFFAOYSA-N 479.964 5.078 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)CCC2)cc1 1789456561 WSLNBHYVISOVHW-DENIHFKCSA-N 469.626 5.144 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)CCC2)cc1 1789491356 IQSJSABEKVAFMN-RUZDIDTESA-N 487.600 5.011 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C(F)(F)F)n4)cc3)CCC2)cc1 1789748278 VGCPTHXBEONTGI-UHFFFAOYSA-N 478.474 5.228 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)n(C(F)F)n1 1790137621 KSZODLXGKFEUHF-MRXNPFEDSA-N 477.515 5.275 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)ccc3O)cc2)CCC1 1790246378 XRCPCPXKBGKOPX-UHFFFAOYSA-N 479.321 5.114 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cc1OC 1790275707 XORGTPPXCMZFOK-UHFFFAOYSA-N 489.959 5.290 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)cc2)CCC1 1790360717 VPIKQUYWDXJWFA-DEOSSOPVSA-N 479.596 5.129 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OCC4CC4)c3)cc2)CCC1 1790739869 ICZWZEFOXVKLII-UHFFFAOYSA-N 474.601 5.425 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ncn4)CCC3)cc2)cc(C(F)(F)F)c1 1790785185 UIMZVGRJMRULOY-UHFFFAOYSA-N 499.880 5.082 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)c1 1790796355 KZOVSACGPLFFQE-UHFFFAOYSA-N 460.537 5.476 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)cc2)CCC1 1790824515 AZYBBDUTWJSCRH-MRXNPFEDSA-N 470.495 5.313 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)cc2)CCC1 1790825964 BPGLXWYZKXVOQA-UHFFFAOYSA-N 488.535 5.020 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ccc3OC)CCC2)cc1)C(F)(F)F 1791304490 CALHOBRQWHOYTL-UHFFFAOYSA-N 497.311 5.324 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4nc3Cl)CCC2)cc1 1791588121 BUIMNVBAYOAFHC-UHFFFAOYSA-N 455.892 5.490 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5o4)CCC3)cc2)c1 1792127223 UUAPSOZTXFONRO-SFHVURJKSA-N 464.525 5.516 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)CCC2)cc1 1792262857 ZOFYTEMDWPWHQG-VWLOTQADSA-N 489.616 5.108 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1NC(=O)OC(C)(C)C)C2 1798339780 FKKPIFUREBLRQY-PLACYPQZSA-N 467.610 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c(Cl)cc1F 1800626445 NCVRCZJNGUUUEX-QKPAOTATSA-N 483.809 5.262 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)c1ccccc1n3CC)C2)C(F)(F)F 1801701538 CMZPRTLIZRMQHV-REPLKXPHSA-N 469.507 5.185 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1802497930 LBTQKJHQUXXCGM-QPPBQGQZSA-N 476.646 5.312 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](c3ccccc3)N(CC)CC)CC2)C1 1804866895 TVZMSUQTYUFFKU-RUZDIDTESA-N 467.698 5.293 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1 1808559576 DRJGDRMDAMETRW-FIPFOOKPSA-N 492.639 5.337 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC4(CCN(C(=O)c5ccc(C#N)cc5Cl)CC4)C3)sc2c1 1808824242 KSRBQZLNSFOQES-UHFFFAOYSA-N 493.032 5.288 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811245534 ZMUYRHKBZZDPND-CCNCKIRNSA-N 489.619 5.157 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1)C(F)(F)F 1811723340 WRGFNHTZQXTRMP-YKSBVNFPSA-N 495.501 5.312 30 20 JKED CCCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1812029559 KOACZNYBYYAZLB-ZEQKJWHPSA-N 487.003 5.193 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1812903723 MFSPMYMCVKYDMT-XMRFLYQSSA-N 479.024 5.143 30 20 JKED Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c1Cl 1813869837 RTKHMROSLXXNQU-RTGAMMJTSA-N 487.003 5.304 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)[nH]n1 1814443151 NXTPWRJNABXEDG-QFIPXVFZSA-N 462.594 5.227 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1815216320 RTXHEKWAKQTLDY-IIBYNOLFSA-N 489.601 5.070 30 20 JKED C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3c(CC(C)C)oc4ccc(OC)cc34)sc2C1 1815916375 WZNCKQOZKVQSET-QGZVFWFLSA-N 493.629 5.126 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnn(C(C)(C)C)c2Cl)n[nH]1 1816198547 ZUWUTHYEGIGPJN-SFHVURJKSA-N 475.037 5.313 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4nc(C)sc34)sc2C1 1818145453 CLTIKTJMCHBINE-CVEARBPZSA-N 466.632 5.055 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)[nH]n2)cc1 1820547313 ILKNLYJWDLLZRU-QFIPXVFZSA-N 482.569 5.025 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823313 IFTXPUUKHHLBBM-UTKZUKDTSA-N 493.011 5.206 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2CC(F)(F)C2)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821150809 NMUUWIVFLAZCDO-DEOSSOPVSA-N 488.538 5.161 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)[nH]n1 1821925407 SAWHZOKBWGQHLG-UWJYYQICSA-N 481.597 5.275 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1)C(F)(F)F 1821994494 WEKPHQHSALVUGR-LJQANCHMSA-N 497.477 5.575 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccccc1 1822041978 TVDXMMPURORFLI-AHBRUNABSA-N 476.602 5.096 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4ncccc4c3)[nH]n2)c1 1823214495 FVBHAXILKLBILH-CJAUYULYSA-N 478.556 5.205 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)[nH]n2)c1 1823216561 WRPDWDHKHXLNSV-BXEPQMNJSA-N 467.520 5.088 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)CC2)C1 1823701290 FXVNLEUIOCAUMI-DEOSSOPVSA-N 481.036 5.701 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(Br)c3)CC2)C1 1823702188 VPCZWSYCUVRMQK-NRFANRHFSA-N 479.846 5.302 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823971713 LGNYLAWOOCPMAF-RDPSFJRHSA-N 461.046 5.046 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)ccc2[nH]1 1824054126 HSGWGZLFFHNPKR-NDEPHWFRSA-N 482.628 5.214 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 1824142904 ALQFJHLJEBWTKX-QFIPXVFZSA-N 463.544 5.102 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSC3CCCC3)CC2)cc1C#N 1824479984 NAAZUZDHJJSUQB-VWLOTQADSA-N 497.705 5.255 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)CC1 1827728670 BZCAEVTZESHTIQ-UPVQGACJSA-N 492.689 5.515 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3oc4ccccc4c3C)CC2)c1 1828127767 MPSCMWYOELDOAQ-RUZDIDTESA-N 469.585 5.468 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1)c1cccs1 1828131204 NTYZWBWIWUBDCK-IBDYFIJFSA-N 493.654 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828140659 YLSYGBZECYVOQZ-VWLOTQADSA-N 465.638 5.402 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn3ccc(Cl)cc3n2)CC1 1828328555 YRBJYXVFUITXRT-QFIPXVFZSA-N 471.045 5.213 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)c1 1828460344 RGBPEGYURLBJBP-WELLZUMNSA-N 461.650 5.398 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1828821969 AUNRYYYCTCXFPG-IFMALSPDSA-N 475.077 5.293 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1828821983 AZWFWMXUQUEIJJ-PZJWPPBQSA-N 495.998 5.338 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1828824699 OMFUWNGHTOZPMG-UNMCSNQZSA-N 489.056 5.359 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1828889467 RLIRJAFRBLTNRT-ZJSXRUAMSA-N 468.663 5.016 30 20 JKED Cc1cccc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)n1 1828903827 MZAAVTUZQBIUHH-ZSNJSTEGSA-N 479.741 5.074 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2Cl)CC1)c1ccccc1 1829030596 VCTQEDMHXVAWOP-NOZRDPDXSA-N 478.036 5.166 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1)c1ccccc1 1829033147 RHTFNRBYNLBNIU-AHKZPQOWSA-N 497.639 5.567 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829704948 FDCVZLGTLGQINC-SANMLTNESA-N 480.649 5.645 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2)CC1 1830120398 QHEJFLHFKSJFPL-FQEVSTJZSA-N 483.397 5.202 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274497 CTUJBUUXQKMDFG-ZJSXRUAMSA-N 481.040 5.165 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830475507 NYPGVEDLCMRISU-QFIPXVFZSA-N 450.957 5.045 30 20 JKED O=C([C@H]1[C@H]2SC=C[C@H]21)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830604320 CITXJQZLCWULPJ-AUAHOFGGSA-N 496.676 5.195 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)cc1 1830671882 LFMANKGBHDJNIT-AREMUKBSSA-N 455.602 5.199 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830826825 RQPCNGNJIJSKID-PKTZIBPZSA-N 474.070 5.076 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)S)CC2)c1 1831845021 IDHRINWKTFDMHV-HRAATJIYSA-N 481.500 5.124 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1832040528 YSGKMYSLGYOWHJ-RGPPVUSESA-N 496.698 5.071 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)CC1 1832721858 JHVGBVXNNJZHHN-QFIPXVFZSA-N 493.873 5.529 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)c2ccccc12 1832999397 ZBZAJQMKEJAKDS-MHZLTWQESA-N 471.645 5.394 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C)cc3Cl)CC2)CC1 1838375917 WROYBWAQLQZSGU-QFIPXVFZSA-N 459.030 5.029 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)cc1 1838766639 SPVNGPXCCGDMOY-DHIUTWEWSA-N 487.644 5.038 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nc2cc(Cl)ccc2c1=O 9085641 NSGDBUQZXQSFGK-MRXNPFEDSA-N 456.011 5.787 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(Cl)cc1 10831864 XCNASHZSOYRIMF-UHFFFAOYSA-O 455.003 5.388 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1 11450129 VPCVHPGGXVUOGA-UHFFFAOYSA-N 466.010 5.440 30 20 JKED Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 11683737 KMTWMHHYTKFDBG-UHFFFAOYSA-N 493.972 5.046 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Br)ccc2Cl)n(C2CCCC2)c1C 12260560 XSZYPGZSVOWSFV-UHFFFAOYSA-N 478.774 5.303 30 20 JKED C=CCN(C(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1)c1nc(-c2ccccc2)cs1 14723714 LJYZVMPLDSAVTB-GOSISDBHSA-N 451.617 5.398 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 16583738 QRTHACZVGZPWRH-UHFFFAOYSA-N 494.400 5.330 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)nnc1-c1cccnc1 18405076 KOJBZXBVZIHFNK-UHFFFAOYSA-N 493.596 5.110 30 20 JKED C[C@H](Sc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)C(=O)NC1(C#N)CCCCC1 22119555 ITVNKFUYQGAIAS-INIZCTEOSA-N 478.643 5.148 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 22690312 AARSRRVDVCDQCA-UHFFFAOYSA-O 463.620 6.272 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccc(Cl)c(Cl)c1 22695295 MFKYETBNIGNBRZ-UHFFFAOYSA-O 489.404 6.111 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)c1C 22729350 HDNNPNRSKNOYAU-UHFFFAOYSA-O 453.578 6.218 30 20 JKED Cc1c(C#N)c(NC(=O)CSC2=Nc3ccccc3CS2)n(-c2ccc(F)cc2)c1C 26278162 ISYIFHSMCROWSN-UHFFFAOYSA-N 450.564 5.711 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2c(C)cccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 28780532 RSJHHLGABDKZJR-UHFFFAOYSA-O 476.622 6.156 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(OC(C)C)c(Cl)c1 31369179 LFXYIBRNANRXSG-UHFFFAOYSA-N 467.747 5.178 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nc2cc(Cl)ccc2c1=O 36855895 VWLJGZLMRMRNGT-UHFFFAOYSA-N 483.977 5.008 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2cccs2)c1 49757646 WWGQSIVGHNAJHD-QFIPXVFZSA-N 487.046 5.760 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933465 LBRFQVGKGMJXHS-UHFFFAOYSA-N 497.542 5.495 30 20 JKED Cc1sc2nc(/C(Cl)=C/c3cccc(OCCCC#N)c3)[nH]c(=O)c2c1-c1ccccc1 110420367 PPTGULXDRYQUIP-HKWRFOASSA-N 461.974 6.380 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc(-c2ccccc2)cs1 215701856 YDZXIPRAKWUBTA-UHFFFAOYSA-N 452.601 5.359 30 20 JKED Cc1ccc(-n2c(SCCC(=O)Nc3ccccc3C#N)nnc2-c2ccccc2F)cc1 248089215 GEBFLKPKFNVGMG-UHFFFAOYSA-N 457.534 5.374 30 20 JKED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)c(Cl)c2)c1 302974805 DSOUMCBPJPLLQX-QGZVFWFLSA-N 469.994 5.230 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 302987088 VKFLNKDYBXLASE-GOSISDBHSA-N 455.583 5.690 30 20 JKED C=CCn1c(-c2sc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)nc2C)n[nH]c1=S 303369120 SAAJKFRWXOEUSS-UHFFFAOYSA-N 465.526 5.248 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)nc2C)n[nH]c1=S 303390304 XZFMGDQXEYWYKX-UHFFFAOYSA-N 469.542 5.756 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F 485430507 WCKHPASGKFAKMS-UHFFFAOYSA-N 451.401 5.013 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)c2)cc1 486041437 FKCNMWLFLAQFSS-QFIPXVFZSA-N 486.547 5.353 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 487033419 RSUHWFWPFDVAPC-INIZCTEOSA-N 487.503 5.289 30 20 JKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)CC1 491569983 NMEHQAHHVUYEQG-SQJMNOBHSA-N 465.041 5.971 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)c(C(F)(F)F)c1 499526386 DCBCDIBRFGGKLQ-GFCCVEGCSA-N 451.514 5.756 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 499684124 XRTPUZLWWMLXOW-UHFFFAOYSA-N 473.623 5.080 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 507892977 LJOKSXRUTHULDY-UHFFFAOYSA-N 469.522 5.404 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCN(Cc4ccccc4)CC3)c2)cc1 509903180 AMJSRBOQSNCFEK-UHFFFAOYSA-N 454.574 5.071 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510057273 RLNVNPYSWLAZQR-XMMPIXPASA-N 469.976 5.611 30 20 JKED COc1cc([C@@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1OCCC(C)C 511003574 ZVILWKUZUUFLRZ-HXUWFJFHSA-N 465.594 5.306 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1Cl 513542812 JXOLCHUJPJNRHJ-KOSHJBKYSA-N 462.956 5.783 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)n1 514931205 MGPVPNKCBQXCIX-UHFFFAOYSA-N 466.588 5.180 30 20 JKED C[C@@H](c1ccccc1)n1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1 515490007 WPOWBBREMRDTJZ-SFHVURJKSA-N 499.665 6.097 30 20 JKED CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516014179 QCECYHCKTCJROW-JOCHJYFZSA-N 466.368 5.636 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1 516526637 CIWILTFCWPLZKN-UHFFFAOYSA-N 490.632 5.738 30 20 JKED Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1C(=O)NC(C)C 517502561 ZAJGUHIGCNYIDO-UHFFFAOYSA-N 458.537 5.378 30 20 JKED COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2SC[C@@H](C)C#N)cc1 518140509 VSGUQAOAPJMKLD-FNZWTVRRSA-N 484.625 5.737 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 518243115 PPUVMUKQGLJBKD-OAHLLOKOSA-N 457.602 5.195 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3nccnc3-c3nc4ccccc4s3)c2)c1 518292380 AHFDOOXYBCJXBZ-UHFFFAOYSA-N 476.521 5.130 30 20 JKED CCOc1ccc(CCC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 518752935 DSYIGHJYADYOBY-HXUWFJFHSA-N 451.636 6.356 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(Cl)cc1Cl 520844107 HQHRDZMPWRMWNX-UHFFFAOYSA-N 476.307 5.273 30 20 JKED C=CCN(C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 520938327 UEQJAFBHFZBFDM-SFHVURJKSA-N 491.646 5.668 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 521807357 JBIOCCHZLHAXDO-PMACEKPBSA-N 457.599 5.356 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 524435787 MRQPJHBUHFGOFH-JOCHJYFZSA-N 454.574 5.356 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 553282223 VEINSWICBNYMLF-FDDCHVKYSA-N 474.586 5.611 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc2cc(C(F)(F)F)ccc2s1 588348973 LBDGKCUVXNPRLQ-GFCCVEGCSA-N 473.457 5.657 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OCC(F)(F)F)c2C)nnc1-c1ccc(Cl)cc1 589932757 ZQGNPOQPFVUQPI-UHFFFAOYSA-N 496.942 5.765 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 596371048 WGQHDOJUICHATM-GOSISDBHSA-N 490.514 5.301 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)NCc4cccc(C#N)c4)o3)c3ccccc3n2)cc1 603614718 NJGHTYVPSVJCFF-UHFFFAOYSA-N 491.576 5.540 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 603831117 LHUPZXRXEGALHC-MHZLTWQESA-N 489.019 5.944 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 603836245 LITAPZAUNMRICJ-OAQYLSRUSA-N 496.995 5.124 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Br)c1 603983608 HHMYISYJIQVYOC-UHFFFAOYSA-N 471.376 5.203 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 604310692 DWARDEQCMFAPMI-UHFFFAOYSA-N 470.323 5.009 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 604452853 DDVNABVMCFZYKL-OAQYLSRUSA-N 485.346 5.342 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 608843477 UAGZSINHJKVBRD-UHFFFAOYSA-N 472.495 5.446 30 20 JKED CSc1nc(O)c(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)cc1C#N 609077521 YILSDOIQGIHDNT-UHFFFAOYSA-N 480.908 5.766 30 20 JKED COc1c(C)cnc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C 609079892 NHSMLCIYQRKZBX-UHFFFAOYSA-N 464.953 5.475 30 20 JKED COc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)cc1OC 609172850 DKMPSUIYIYLRIQ-DEOSSOPVSA-N 499.592 5.330 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 609404199 JASDLVSNOKAYFD-ICSRJNTNSA-N 489.563 5.567 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 609431100 RDKOQHIXGQGZBL-GCJKJVERSA-N 484.581 6.210 30 20 JKED N#C[C@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 613289799 YGXXCBJOOGYZEM-SNVBAGLBSA-N 474.394 6.287 30 20 JKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613346263 GJDLNHAJFGHPMU-OCBCSQNSSA-N 470.381 6.201 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1nc2cc(Cl)ccc2s1 613407071 HFOADESTCPUANZ-INIZCTEOSA-N 479.920 5.596 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1ccc(OC)cc1 618070498 LDGWUJZKAWQHIY-MSOLQXFVSA-N 450.608 5.060 30 20 JKED N#C[C@H](C(=O)c1cc(Br)c2c(c1)OCO2)c1nc2cc(C(F)(F)F)ccc2s1 619753847 XQMAWVVVLRXXHO-SNVBAGLBSA-N 469.238 5.296 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccn(-c2cccc(F)c2)n1 619987222 SBZJLUNMGDHNNN-UHFFFAOYSA-N 477.336 5.146 30 20 JKED O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 622618478 KLIBGKNBQZTJCO-CQSZACIVSA-N 462.409 5.516 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)cc1Cl 726405453 FHZYTZJLYQYJAE-HXUWFJFHSA-N 481.002 5.434 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)cc1Cl 728776393 QMAIJXBOAHQKCC-JOCHJYFZSA-N 499.036 5.620 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(CCCCC#N)C2=O)cc1 728777586 LJTDPQNYXUKZPT-HSZRJFAPSA-N 476.602 5.160 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cc1 729128157 YPBUNHLJTZGOPX-UHFFFAOYSA-N 492.620 5.149 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F)[C@H](C)c1ccc(C#N)cc1 729175387 UKQVWAQQFUVCDM-RTBURBONSA-N 491.588 5.061 30 20 JKED CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 729558581 IAIJNGVNRCQPCS-QFIPXVFZSA-N 478.593 5.195 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NCC(=O)Nc2ccccc2SCC#N)c(C(F)(F)F)c1 729675356 GMZJQBZHSZUFHY-UHFFFAOYSA-N 480.512 5.719 30 20 JKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)c2c1 730441685 LDYNKPDJKSZOTR-HXUWFJFHSA-N 464.525 5.097 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2c(F)c(F)c(F)c(F)c2F)c1 730551183 UYCYSGLWDBQRQF-UHFFFAOYSA-N 456.440 5.155 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 730665096 JGZUKHHWHYAIBJ-UHFFFAOYSA-N 450.539 5.214 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1)c1nc2ccccc2o1 730689699 JXGUHRTZFUSVGO-AOMKIAJQSA-N 465.278 5.726 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944439 AXUVPEMFIIWSFK-CYFREDJKSA-N 472.614 5.927 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c12 731065611 CSSDJBISLCMSLB-KRWDZBQOSA-N 499.596 5.134 30 20 JKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C(F)(F)F)cc1 731076722 CJIYEFSLCNQDOK-QJPKHSJYSA-N 462.493 5.685 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731307171 PZIYIBTVZVLYGB-LJQANCHMSA-N 471.991 5.268 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(F)c(F)c1 731310537 JYCOQJZFPQBSNJ-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c1 743523777 CYUHIXHRCMTUQX-SFHVURJKSA-N 467.488 5.274 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(OCc3ccccc3F)cc2)ccc1S(=O)(=O)C(F)F 747067402 WYLPAYKCIJYXRF-WQLSENKSSA-N 476.472 5.306 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747599123 FYEFPPFMNTWTFE-GOSISDBHSA-N 491.425 5.610 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CC(F)(F)F)C2=O)cc1 799211932 UEWYGPABMOMFGA-SFHVURJKSA-N 479.524 5.225 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2CC(F)(F)F)cc1 799221569 KXFWYMKUVZUMEZ-IBGZPJMESA-N 495.523 5.007 30 20 JKED COc1ccc(-c2nc(S[C@@H](C(=O)Nc3ccccc3)c3ccccc3)nc(O)c2C#N)cc1 824964235 OTOKMQNIOQNYLK-HSZRJFAPSA-N 468.538 5.202 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cccs3)C2=O)c(OC)c1 837300701 BOJRBKCPTVYMSF-JOCHJYFZSA-N 495.626 5.234 30 20 JKED CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(c3nc(-c4ccc(C(F)(F)F)s4)no3)C2)C1 904965983 XTACVKSZEKHJNV-DKXWOSEQSA-N 454.474 5.071 30 20 JKED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(SC2CCCC2)cc1 914703485 SAVSMIUZBPHZDT-MQNTZWLQSA-N 465.040 5.135 30 20 JKED CCOc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)cs2)cc1 914994333 WGIAIVJMBQTLEJ-LJQANCHMSA-N 477.586 5.318 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 915085220 IVNOHDGNNSEREV-HSZRJFAPSA-N 456.933 6.007 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 915087011 PEHPCANJAFVQEY-QHCPKHFHSA-N 482.005 5.277 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCCc2ncc(-c3ccccc3)o2)n(-c2ccccc2)c1C 915508762 JTCZYUGZMHLUTH-UHFFFAOYSA-N 482.540 5.125 30 20 JKED CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 916057323 QCLBCULVPXLVFX-OAQYLSRUSA-N 485.968 5.074 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccco3)C2=O)cc1OC 916208050 RWRGTBYVZAMHNY-HSZRJFAPSA-N 493.585 5.074 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O 916208677 PFMVXJOLSPPAPJ-NRFANRHFSA-N 482.968 5.343 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1c1ccccc1OC 916231734 XBPHOJPSWXJNCC-XMMPIXPASA-N 489.597 5.486 30 20 JKED Cc1sc2ncn(N=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)c2c1-c1ccccc1 916283784 SPRAMSIPVFOWCW-UHFFFAOYSA-N 456.483 5.484 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)n2)cc1 916627146 AEFVRXBMSCVMMC-SFHVURJKSA-N 486.018 5.047 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(OCc2ccccn2)c1 916680482 IFSGCEQFCNLFQK-RBTNQOKQSA-N 462.553 6.199 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)c1 916893982 IRPZEGQNWYEVTL-LJQANCHMSA-N 478.961 5.078 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)O[C@@H](C)C2 916928614 PCGIHKBKMZQLEE-UHONWTQSSA-N 459.329 5.076 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1Cl 916941384 ULCWHZMCCKHJRC-KRWDZBQOSA-N 495.322 5.409 30 20 JKED COc1ccc(Cl)cc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 916974217 GVQLASMDQOQTSS-FUHWJXTLSA-N 465.962 5.010 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 917039885 GVBQJJNWHKDDKT-GXMNPTEKSA-N 473.323 6.359 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCN3CCC[C@H]3C2)C1=O 917674663 PCLOTFRUBAPCTN-JTAQYXEDSA-N 497.064 5.236 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3)C2=O)cc1 917704720 XTZHPOCWMRCLKT-HSZRJFAPSA-N 454.555 5.027 30 20 JKED C=CCN(C(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 918552844 XHMJEKSSIHSWSJ-UHFFFAOYSA-N 496.552 5.593 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(OC)c(OC)c4)n3)n2)cc1 920143288 OMXKYNUBRPHZKL-LJQANCHMSA-N 491.594 5.378 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)n1 920328215 PLKQUGXMUFUDEB-MRXNPFEDSA-N 479.608 5.712 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc2ccccc12 920867981 ZJNLWSQERJEHHC-HOYKHHGWSA-N 491.613 5.091 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 920975200 GYEJYCAPFXKDPI-UUOWRZLLSA-N 472.976 6.005 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cccs2)[n+]2ccc3c(c2)CCCC3)C=C1 1328384505 NALFYXFNPBQNPI-UHFFFAOYSA-O 465.620 5.499 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)C1 1783038648 NCJKWPQCSPILIA-SHQCIBLASA-N 485.068 5.140 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3)CCC2)cc1 1785784857 JQGUWWOTJHUYFN-UHFFFAOYSA-N 476.536 5.469 30 20 JKED CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1)N(CC)CC 1786450085 HNDGWXHVFAUVNO-CPJSRVTESA-N 460.622 5.182 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Br)cc3F)CCC2)cc1 1786679262 VIXKDMXFTBOAMG-UHFFFAOYSA-N 491.426 5.184 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cnnc(Cl)c3)cc2)CCC1)c1ccccc1 1786972606 DOAAQBCHTIRVMV-QHCPKHFHSA-N 472.976 5.075 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)cc1 1787354042 ZGQMTCJEJBXXOA-UHFFFAOYSA-N 478.474 5.228 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccs4)cc3)CCC2)c1 1788163521 DEZKNAAYSMMZCN-MDZDMXLPSA-N 457.555 5.089 30 20 JKED Cn1ccc2cccc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(C#N)cc5)CCC4)cc3)c21 1789058968 APMGDLMCKMZESA-UHFFFAOYSA-N 462.553 5.040 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789155207 ZXACWLFWEUBRTK-XZOQPEGZSA-N 480.992 5.087 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ncsc45)cc3)CCC2)c1 1789344312 LRINWCPCYJYOJU-UHFFFAOYSA-N 452.539 5.229 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789993716 SBQXMGZGEMBWKU-DEOSSOPVSA-N 498.583 5.144 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5cn4)CCC3)cc2)c1Cl 1790082817 QUKDATOEBIEYLF-UHFFFAOYSA-N 470.916 5.414 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5nscc45)CCC3)cc2)c(C#N)c1 1790474664 SJOLTQPZTNTDPK-UHFFFAOYSA-N 496.592 5.167 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5C=CS[C@H]54)cc3)CCC2)cc(C(F)(F)F)c1 1791090386 FBMZERPITHYGLO-NJDAHSKKSA-N 483.515 5.200 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)cc2)CCC1 1791413301 VBYQHSMZEMJYRR-OPHFCASCSA-N 493.648 5.102 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1791451163 JDNUCSRPQVVDLS-HSZRJFAPSA-N 481.637 5.288 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc3)CCC2)cc1 1791588960 NWAOWJVLUNBXHQ-DEOSSOPVSA-N 491.632 5.395 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4)CCC3)cc2)c1 1792121942 DFCLAVUTSYNIGD-KRWDZBQOSA-N 458.949 5.424 30 20 JKED COc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168514 KPMJBEZATJYDIY-UHFFFAOYSA-N 489.597 5.477 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)s3)CCC2)cc1 1792235634 BHBAYTFXCNAFGL-UHFFFAOYSA-N 465.962 5.100 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1 1792241507 KLNXFUGVJHRYMA-YVWKXTFCSA-N 466.544 5.062 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1)c1ccccc1 1799326481 OIJHHTYHTLWILK-BJESRGMDSA-N 474.988 5.535 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 1799624886 HQMRGPIVEKTBQS-MUJYYYPQSA-N 462.764 5.084 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)cc1Cl 1800315946 XYHPCAQSHJDYOK-OCYFJXFZSA-N 480.008 5.320 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OCCCC(F)(F)F)cc2)C3)cc1 1800543073 FXNBJMQMKCKRBN-NUNAXRQHSA-N 499.533 5.040 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn(-c3ccc(Cl)cc3)c1C(F)(F)F)C2 1801637369 CVTSJVPLPKYXCI-SKWUIDRYSA-N 494.945 5.009 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3cccc(Cl)c3)CCCC2)c1 1802187646 MYRABDGQINPRMG-KOUNCHBCSA-N 479.983 5.115 30 20 JKED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCc1ccccc1 1804260846 URZOKFULZKNTHG-OOSCYNTBSA-N 451.655 5.682 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1)c1ccccc1 1804865749 ADNNJCXAECROBZ-XDIPAPSNSA-N 496.655 5.224 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(OC)cc3F)CC2)C1 1804866066 MZXHWJHXJUCHDX-PKNBQFBNSA-N 456.602 5.071 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1809093990 GKYLUQMLOKLQMV-SQHAQQRYSA-N 468.601 5.026 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)c(F)cc3nc2Cl)[C@@H]1c1cccnc1 1811353018 FHFYPTTXXQUMCM-JCEJCQQGSA-N 498.961 5.093 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811539310 QRORRLPFYSYGGV-UTOLSJPLSA-N 467.613 5.589 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@H]1c1cccnc1 1812589545 HCAHPCYYCSLWNV-OEQAEZTDSA-N 485.603 5.343 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1812676259 NVTBRTCIBYHNMW-WNCULLNHSA-N 491.582 5.393 30 20 JKED C[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1813232537 AMTFTPHEHJVAPK-RXWNPYQGSA-N 489.736 5.017 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1813831617 JPRIPRILXNMRDY-YADARESESA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc4occc4c3)[C@H]2c2cccnc2)c1 1813865553 GVYGZLMIAIIGGF-KAZGAHJFSA-N 478.552 5.088 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c(Cl)c1 1813869480 HZGNSTRDAPWLNI-CNPGNWEMSA-N 487.003 5.304 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813955954 ZLFXSTNAAAETLT-GCCWUPBUSA-N 453.586 5.280 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(C)(C)C)nc3)n[nH]2)c1 1814352027 GFHUQVWEPOGNDO-MBSDFSHPSA-N 484.604 5.349 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cc(F)cc(F)c2)n[nH]1 1817765251 KUGKETVYIIOMCE-REWPJTCUSA-N 499.587 5.010 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)[nH]n1 1819552725 YNTQNBCSPSEAJA-GOTSBHOMSA-N 464.610 5.098 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820224019 WBDDPKKPNFOULK-LJQANCHMSA-N 465.916 5.002 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)c1 1820434737 KZXNMMMJVOYPRD-FQEVSTJZSA-N 498.370 5.216 30 20 JKED COc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)ccc1C 1820601562 MFZPVACQUBJWTP-QFIPXVFZSA-N 480.685 5.084 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1820971894 AVOQEXMEPAWSTC-MHECFPHRSA-N 491.567 5.323 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157282 FQOCMUCVSFAFPE-RUZDIDTESA-N 471.605 5.317 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(O)c3cc2OC)n[nH]1 1821499502 OQHGPTIFTNVJFK-QFIPXVFZSA-N 490.604 5.575 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)n[nH]2)C1 1821523378 QNYDRHJNQSYDCT-QFIPXVFZSA-N 469.545 5.423 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)c1cccc2c1oc1ccccc12 1821610220 PAQNSPNRYIRZEU-JOCHJYFZSA-N 452.514 5.028 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(CC)CC)n[nH]1 1821754453 VQLUPSUQUOAGLK-NOZRDPDXSA-N 479.669 5.477 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1821927668 FPIHFICOFGMMNT-FZKQIMNGSA-N 452.452 5.086 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1822581958 VOYRAJAIXMKBDP-RUZDIDTESA-N 493.611 5.829 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](CC=C)C(=C)C)[nH]n1)NC(=O)OC(C)(C)C 1823347780 FPQZAXHSYXGDIC-ONTIZHBOSA-N 499.656 5.030 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sc(Br)cc3C)CC2)C1 1823701767 OIFPYWBVABDCJZ-GOSISDBHSA-N 465.457 5.019 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 1823750969 YGCGKVUNSJTOEZ-OAQYLSRUSA-N 465.560 5.326 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1823753150 FXVQPORBPKSEMC-QFIPXVFZSA-N 485.072 5.522 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1824054080 NZJUZRBHYOIEAI-RUZDIDTESA-N 497.561 5.443 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1824808182 AVDCLWXSGCMBOD-AJTFRIOCSA-N 487.644 5.107 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1824958174 NWARFRJCBZOEPS-PZSRYKBRSA-N 458.693 5.140 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccnc2Cl)CC1)c1ccccc1 1825086298 NNYQQFFRTQITLN-FTJBHMTQSA-N 492.063 5.094 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827352404 RPUOZMOGEWZACS-ZCYQVOJMSA-N 483.653 5.075 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)CC1)c1ccccc1 1827416566 PDDLSIJZJHSHPG-AOYPEHQESA-N 499.611 5.365 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533288 CDPQHCDTDWRYMP-QHCPKHFHSA-N 482.422 5.139 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1828221818 NMEBSXSOMHRHPX-DEOSSOPVSA-N 498.465 5.357 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cnc2OCC)CC1 1828826620 JFVJTJAUOPBILE-GMAHTHKFSA-N 474.045 5.135 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 1828903295 FABUXQZFBOZGBA-VXKWHMMOSA-N 466.689 5.093 30 20 JKED O=C(C/N=C/c1ccco1)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1828998707 NWJFVISPFOUDAY-NEDSSLFVSA-N 496.051 5.094 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2ccccn2)CC1)c1ccccc1 1829035246 NTEYGSAABJKSCO-GHPJVDHGSA-N 485.672 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 1829068954 ATNIQMHBUJDDFQ-SFHVURJKSA-N 471.589 5.388 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)CC1 1829181357 XFAYTWKACMECRI-HXUWFJFHSA-N 464.437 5.390 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)CC1 1829280092 XVEQRJJVRZZNSC-NRFANRHFSA-N 469.651 5.629 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1Cl 1829692895 OOGKWAKFMFIDTP-QFIPXVFZSA-N 488.390 5.551 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1830015586 KOGOURXEKKQDRS-KKUQBAQOSA-N 476.020 5.249 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1830629509 ZDTVKZISHXGNIJ-VWLOTQADSA-N 489.019 5.434 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)cc2s1 1830888861 ZJIXVJBAGDVXJF-RUZDIDTESA-N 488.657 5.276 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)CC1 1831850923 SSMMBGGQAAHFAD-XMMPIXPASA-N 497.561 5.203 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1)c1ccc(O)cc1 1831924079 AYEBMNZCTQVKDH-CUBQBAPOSA-N 498.623 5.569 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1832030334 LVRJKXCSVFFCTB-VWLOTQADSA-N 466.025 5.315 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1 1832629468 RPTHFMGSGFSETO-IDISGSTGSA-N 487.619 5.418 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)n1 1832635314 ZZJPEGQKFSBJKD-CYFREDJKSA-N 478.662 5.441 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]3C)CC2)cc1C#N 1832703070 AVPAQOJAXGBCBM-BUUDZMLXSA-N 465.638 5.015 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)CC1 1836602310 ANMCDYSMQUVACV-CJFMBICVSA-N 473.057 5.211 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC4(CCCN4C(=O)/C=C/C(=O)c4cccs4)C3)ccc21 1843418840 FFIWPFXTMINKNE-OUKQBFOZSA-N 497.620 5.132 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 11263902 MVAFPZSQDLPAGM-UHFFFAOYSA-O 459.679 7.063 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)nnc1-c1ccc(Cl)cc1 11450117 KYVKIDRHODHCQS-OAHLLOKOSA-N 485.009 5.237 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCCCN4)cc3)cs2)cc1 22991264 HYBHXCOKMKYKNR-UHFFFAOYSA-N 496.658 5.437 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc2cc(-c3ccccc3)sc2c1=O 24267937 QLXNHXSCRGWAIU-UHFFFAOYSA-N 492.582 5.258 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2OC(F)F)nnc1-c1ccc(Cl)cc1 26022452 QVUPATULDBYXNU-CQSZACIVSA-N 478.952 5.355 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(C(C)(C)C)cc2)cc1F 28811080 CPDVGEFQIUEAIQ-UHFFFAOYSA-O 480.585 5.987 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCCCN4)c3)cs2)cc1 29519757 XKEGRJFYNTZXTL-UHFFFAOYSA-N 496.658 5.437 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1 32289350 SZEONXHKFCVYCP-JOCHJYFZSA-N 454.530 5.020 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccco1 45643323 YQGDQJVBNGQFDN-QWHCGFSZSA-N 451.379 5.389 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccoc1C 45703673 ZBUHBOONGWARJO-LBPRGKRZSA-N 470.904 5.824 30 20 JKED COc1cccc([C@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c2c[nH]c3ccccc23)c1OC 110524654 IZCVOFHSRCEUCQ-RBJSKKJNSA-N 497.595 5.408 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccccc1CN1CCCC1 409455527 CYIIDAZNVQDNRH-UHFFFAOYSA-N 460.391 5.082 30 20 JKED O=S(=O)(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1cccc(COCC(F)(F)C(F)F)c1 443438721 FYVQCAKIRVVGDO-KRWDZBQOSA-N 498.420 5.167 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccc(Br)cc1 476570054 AUKMRBMALWEPIA-NSHDSACASA-N 482.325 5.674 30 20 JKED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 480185865 SZRKQGGQSVZAFD-DEOSSOPVSA-N 498.627 5.086 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2ccc(COCc3ccccc3)cc2)CC1 480260810 VYDJLRVYYDCBBC-UHFFFAOYSA-N 496.567 5.056 30 20 JKED COc1cccc(N2CC[C@@H](NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)c1 480347876 NHGMOSGQOAQCPA-OAQYLSRUSA-N 476.964 5.200 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482963309 NEIMVOMNAXVMAR-UHFFFAOYSA-N 462.509 6.555 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-n4cccn4)cc3)s2)c(C(F)(F)F)c1 487414773 BSQUYNFDALDSRA-UHFFFAOYSA-N 453.449 5.062 30 20 JKED C[C@@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccc(C#N)cc1 499130847 OZIBPFUYOWMSKL-AQRZYSDFSA-N 468.538 5.884 30 20 JKED COc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc(OC)c1Br 501425381 QWLRFNYCQKTABH-UHFFFAOYSA-N 481.346 5.364 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 502650900 XSFZJPCQJDFOJA-UHFFFAOYSA-N 488.401 5.363 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)nnc1-c1cccnc1 503754040 XYQYYZRKHZKYBS-CYBMUJFWSA-N 478.628 5.818 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)c3cnn(C(C)C)c3n2)s1 504893441 BEXXVTWJJQNUPB-UHFFFAOYSA-N 488.592 5.022 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C#N)nnc1-c1ccccc1 505059178 IDNIJOZDTVSWQY-QGZVFWFLSA-N 473.627 6.247 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 505617703 FOIFOYFQOBDFNI-UHFFFAOYSA-N 452.466 6.074 30 20 JKED C=CCN(C(=O)c1sc(-c2ccccn2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 506830748 QFDREXKTROWFDI-UHFFFAOYSA-N 463.544 5.378 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Oc3ccccc3)nc2)cc1Cl 507156899 GHFOHVXFHNITPD-XMMPIXPASA-N 496.954 5.438 30 20 JKED CCN(C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1)[C@@H](C)c1ccc(C#N)cc1 509570169 HRAKDENMMGEJSQ-KRWDZBQOSA-N 488.638 5.778 30 20 JKED COc1ccc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC(F)F 509903202 ARYJRIULLMQTNK-UHFFFAOYSA-N 481.499 5.606 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 510508069 NTZFWNKHUPZIKP-INIZCTEOSA-N 453.493 5.128 30 20 JKED CCCN(CC#N)C(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 510781970 PZMPQTJUNWSJKT-UHFFFAOYSA-N 476.046 5.178 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 512518182 GTXBFPMFSDAEGP-UHFFFAOYSA-N 468.357 5.433 30 20 JKED C=CCn1c(S[C@H](C)c2ccccc2Br)nnc1[C@H]1COc2ccccc2O1 513241772 MBNVYVBYDIBIQO-AUUYWEPGSA-N 458.381 5.592 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c12 515546886 IGLXTRNWBUMWPL-KRWDZBQOSA-N 457.946 5.697 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515651260 AHXBTRHGVHFVJH-QGZVFWFLSA-N 481.415 6.213 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 516022017 XUGJETPLOYGVEI-QGZVFWFLSA-N 496.394 5.797 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 517077616 WPNIVQVEGZPMIA-UHFFFAOYSA-N 485.487 5.482 30 20 JKED CC[C@H](C)n1c(SCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)nnc1-c1ccccc1 517492234 PBOQKPGCIPKKJA-KSSFIOAISA-N 474.417 5.696 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 517527956 NIZWGQYVLHNZBI-IQGLISFBSA-N 469.566 5.671 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 518316926 KHVUQDYPTXQNMZ-UHFFFAOYSA-N 470.579 5.494 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1Cl 518472855 CMQZJUCRDYAHPS-QHCPKHFHSA-N 474.923 6.154 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccccc2COCc2ccccc2)cc1 518593258 HHHSHHONJWNWEY-UHFFFAOYSA-N 491.547 5.322 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1 518670054 RZSXKVMEMCILEK-JTQLQIEISA-N 450.303 5.080 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 519070529 HUTYAHNEFPGUBI-UHFFFAOYSA-N 459.315 5.292 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)o1 520098385 JBENENUXLSZCFP-UHFFFAOYSA-N 459.889 5.610 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 520132001 BKVJQRGBLPPILG-VWLOTQADSA-N 453.521 5.186 30 20 JKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520179318 ZRNHFFBZAHOUBF-QGZVFWFLSA-N 468.384 6.863 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c3cnn(C(C)C)c3n2)c(C)s1 520546619 PEZXDOPEVUTFQR-UHFFFAOYSA-N 499.640 5.913 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1cccc(Cl)c1 520813600 MXKWFVSAGOTYLR-HNNXBMFYSA-N 472.039 5.743 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 521208852 HDEJISZYABKPIW-INIZCTEOSA-N 466.463 6.054 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1ccc(I)cc1 521329007 LSLBZUNSQOTEKW-AWEZNQCLSA-N 478.355 5.287 30 20 JKED CC(C)(C)OCc1cccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 522426227 IIUPNFYIDTTWNF-UHFFFAOYSA-N 457.574 5.968 30 20 JKED Cc1c(C#N)c(NC(=O)CNC(C)(C)c2cccc(C(F)(F)F)c2)n(Cc2ccco2)c1C 550977657 VWVQHVHBZXLCSN-UHFFFAOYSA-N 458.484 5.100 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCN3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2C#N)C1 550991437 JUBRFKQQJCHCSQ-IZHWHUGBSA-N 497.064 5.174 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c1 589383038 VGQAEAZTGUDBLZ-UHFFFAOYSA-N 455.308 5.502 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 589757805 JRTIHYNQSOJQSN-LMOYCYGVSA-N 476.820 5.472 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(CN3CCCCC3)cc2)nnc1-c1ccc(Cl)cc1 600402910 GXDDLMWUIZOEIB-UHFFFAOYSA-N 496.080 5.179 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2)cc1 603814577 JVMTXHXAHOGMIQ-LJAQVGFWSA-N 489.575 5.832 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995571 IQXHNCFCSMDRCZ-UHFFFAOYSA-N 486.528 5.546 30 20 JKED Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)s1 604142478 OETCDDQZIBSEMH-BTYIYWSLSA-N 451.979 5.490 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n1 604432396 ZUZILBHNGIINHG-CYBMUJFWSA-N 465.478 5.261 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2)o1 608872011 JVIXDOQVIFUEEF-VWLOTQADSA-N 477.520 5.331 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(c2ccccc2Cl)CC1 609078737 LRQJAJOTKIUKEZ-UHFFFAOYSA-N 460.965 5.453 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 609376512 BIZAJRDYDUNFPO-RASJMTDNSA-N 483.637 6.057 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cc1 609378036 UWEHGZVLIBAURU-LJQANCHMSA-N 479.627 5.324 30 20 JKED COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609427758 IMLRLPYPFFWGKX-OAHLLOKOSA-N 497.960 6.696 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612805235 FZULAVJVDNIMFR-CHWSQXEVSA-N 450.345 5.756 30 20 JKED N#C[C@H](C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347398 ZRCCLRATIWQHRU-IEBWSBKVSA-N 473.381 6.165 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1nc2ccccc2n1C(F)F 613403923 LIGJLUGVSOVXEI-QGZVFWFLSA-N 460.419 5.037 30 20 JKED O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 618542540 UUDQOWAWCZAHKZ-ZIAGYGMSSA-N 477.380 5.673 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1nc(-c2ccccc2)cs1 641902377 XOPDZBNYLPMJDV-UHFFFAOYSA-N 481.643 5.208 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1SCc1ccc(F)cc1 643160312 KAUPZZGLKCAWIZ-FOLVSLTJSA-N 480.449 6.152 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)c1ccc(NC(C)=O)cc1 645079316 AFLIYJZUTNVKLV-OAHLLOKOSA-N 470.982 5.018 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 726330057 XHHAONOTUYJZAF-INIZCTEOSA-N 454.502 5.039 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)cc2)c1 726396831 LRNUGPHHNWPSQU-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC[C@@H](C)OC)c1 726398044 JSUVLAHDPIFKSE-IIBYNOLFSA-N 490.025 5.042 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccccn3)C2=O)cc1 726421445 QNUMSFPJQYINPM-AIZZMXMBSA-N 464.616 5.042 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N/[C@@H](C)c1cccs1 726422908 YHBRPMLSUYZFTK-NSJDYZFHSA-N 480.055 5.216 30 20 JKED N#CCCCOc1cccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)c1 726743290 BYDQAYVZZZMSNH-MOSHPQCFSA-N 482.392 7.137 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1oc2ccccc2c1CSc1ncccn1 726755919 NIAHYFBDBMLHDR-UHFFFAOYSA-N 465.538 5.264 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 729035504 FIFNNPFSWFOUNY-WJOKGBTCSA-N 497.602 6.576 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 729557177 FOBPUBHUKQLNDD-XMSQKQJNSA-N 483.012 5.764 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1ccccc1 730440262 OIWRLIMMUSURSA-UHFFFAOYSA-O 464.570 5.748 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1F 730493628 KGNOLKOUNMKJDJ-UHFFFAOYSA-N 479.483 6.015 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730494429 PXEQFPSOESYNIE-UHFFFAOYSA-N 475.520 6.184 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 730990104 SJKHYNSGFQFMGN-CCRNYGKSSA-N 487.697 5.620 30 20 JKED Cc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2)o1 731306255 UMYRKDLXPNYWBE-OAQYLSRUSA-N 483.977 5.150 30 20 JKED C[C@H](OC(=O)c1oc2ccccc2c1CSc1ncccn1)C(=O)Nc1ccc(C#N)c(Cl)c1 742950416 VLNCMLWIGMYEDK-AWEZNQCLSA-N 492.944 5.224 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S 746056070 RNZWVSVOYGVDQN-UHFFFAOYSA-N 454.603 5.453 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c1 746698022 SAVDIRLABLARDT-NRFANRHFSA-N 471.598 5.164 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCCOC2CCCC2)C1=O 747044158 OQIJXQYQVCHHNQ-QHCPKHFHSA-N 481.618 5.005 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cscn1 747602843 OUZYQUURIANXAV-HXUWFJFHSA-N 485.034 5.574 30 20 JKED CC[C@H](C)Oc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)ccc1OC 749443458 GEWIZBOEZXFNLX-ZDUSSCGKSA-N 481.405 5.521 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 749668528 ZZJXATDGEOMKRM-BWKNWUBXSA-N 459.590 5.477 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)nc(O)c2C#N)cc1 824942083 VXHLYVCHJCVGJB-KRWDZBQOSA-N 482.565 5.516 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H](C)c3ccccn3)C2=O)cc1 837300326 GCMBMQIIBLJUPY-MWTRTKDXSA-N 490.560 5.145 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCc2cccs2)C1=O)Nc1ccccc1 837300746 CNNCJIOEVZBBHL-FQEVSTJZSA-N 453.564 5.090 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 837747588 XHHPVRIMPJJAKK-BTYIYWSLSA-N 482.968 5.596 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)c1 912706523 RZROMJWRZWSEEI-UHFFFAOYSA-N 495.815 6.280 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 913153505 WLDDWDNDQKJVTP-UQCOIBPSSA-N 488.403 5.251 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H](C)c2ccco2)c1 914495609 CYHWKTHNBUISGU-QGZVFWFLSA-N 488.993 5.156 30 20 JKED Sc1nnc(SCc2ccccc2)n1N=Cc1cc(Cl)ccc1OCc1cccnc1 914693768 NYIHWVBOPUSUQT-UHFFFAOYSA-N 468.007 5.369 30 20 JKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)Cc1cccc(C#N)c1 914871562 AECGWKRUOBQETD-UHFFFAOYSA-N 456.523 5.181 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915087207 QKAVNVGOXXELNS-AREMUKBSSA-N 451.526 5.707 30 20 JKED CC(=O)N1CCc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc21 915102864 JQFSFWPIWVZNGJ-KRWDZBQOSA-N 456.354 5.516 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915293951 VBQXLXHSRPLPNG-MGPUTAFESA-N 453.311 5.650 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 915728903 GALUBHMAZMFJMS-RRPNLBNLSA-N 479.967 5.840 30 20 JKED COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)cc2OC)cc1 915848980 GNDUWVFXOPAKJJ-HZHRSRAPSA-N 488.565 5.431 30 20 JKED N#Cc1ccccc1NC(=S)Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 915994146 IWTLFNINANZYQM-UHFFFAOYSA-N 477.398 5.475 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c1 916212025 SZVJJOVTKGWHHI-OAQYLSRUSA-N 467.978 5.710 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C2CC2)C1=O 916215851 LIYBKRGWRAXPBR-HXUWFJFHSA-N 457.983 5.088 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)ccc1OC(F)F 916320958 PHYCMLBWXGOMFO-UHFFFAOYSA-N 476.549 5.326 30 20 JKED COc1ccc(C(C)=NNc2ncnc3sc4c(c23)CCC4)cc1CSc1ncccn1 916588315 FTSVMUYLJJACLS-UHFFFAOYSA-N 462.604 5.107 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916904885 JYVAOGXIDGDEOU-OAQYLSRUSA-N 487.968 6.146 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916908124 LOMDLYYWFPUTPU-JOCHJYFZSA-N 467.550 5.801 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916945465 VRYWBAQWFCAYSI-MRXNPFEDSA-N 473.337 5.454 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)cc1 916974200 GNDCJTBHVPDJRW-QFBILLFUSA-N 480.387 5.110 30 20 JKED CCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OCC 917047202 TXZIJLLNVBMRLA-INIZCTEOSA-N 456.951 5.586 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)c1ccc(OCc2nccn2C)cc1 917517649 KLNSAMIWUAFFIB-OUKQBFOZSA-N 460.965 5.410 30 20 JKED CCCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1OC 917560566 RBUOVIKDQILAMX-FMIVXFBMSA-N 468.550 6.050 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc3ccccc3c2)cc1 917611173 VVGCNADGPBECQQ-UHFFFAOYSA-O 496.656 6.419 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCC2CCCC2)C1=O 917701685 ALUSEQMACSQYRI-QHCPKHFHSA-N 476.602 5.107 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 917713748 PJVOGGFDWYYCHO-UHFFFAOYSA-N 479.473 5.223 30 20 JKED CC(C)CN(CCC#N)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 919944425 DXCHOSUNKSNVNJ-UHFFFAOYSA-N 464.422 5.858 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(Cl)cc1Cl 920109820 JJUDZEVVTVGGNP-NSHDSACASA-N 470.790 5.722 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cc(C)on3)C2=O)cc1Cl 920353120 BDUZMZXLICRGOF-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccccc2)no1 920354989 JFGZKGCLZXOGPV-FQEVSTJZSA-N 468.966 5.105 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2nnn(-c3ccccc3)c2C)cs1 920390053 XBJUJWCKZSJXDI-JLHYYAGUSA-N 463.950 5.266 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)Cc1csc(-c2ccc(Cl)s2)n1 920678738 ZIGPBUNGJPGIJP-CYBMUJFWSA-N 467.037 5.276 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](CCC)NC(=O)OCc4ccccc4)CCC3)cc2)C1 1785803688 UIYXFNSWYYOWNZ-VWLOTQADSA-N 489.616 5.182 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(Br)cc4F)CCC3)cc2)C1 1785810582 SGFVRMXOKIHROA-UHFFFAOYSA-N 471.370 5.231 30 20 JKED Cn1c(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc2ccccc21 1786032670 ZRCTWIXKQUYLRQ-UHFFFAOYSA-N 476.580 5.235 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)Cc3cccc(Br)c3F)cc2)CCC1 1786194189 IELPOVZQJMQIET-UHFFFAOYSA-N 471.370 5.068 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)CSC4CCCC4)cc3)CCC2)ccc1F 1786348789 ZUZWWAWPAORCRD-UHFFFAOYSA-N 465.594 5.050 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCc4cc(OC)ccc4C3)CCC2)cc1 1786366139 MXJLFGXHRIKXFU-JOCHJYFZSA-N 490.644 5.307 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCC2)cc1 1786373796 NEIKZOQCKQBFPX-INIZCTEOSA-N 479.558 5.148 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCCC4(F)F)cc3)CCC2)cc1 1786465755 VBFFURDEGFZIEH-JOCHJYFZSA-N 451.517 5.326 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)CCC2)cc1 1786677328 QDBOPUHUUNAKJX-UHFFFAOYSA-N 482.556 5.022 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)nc1 1786869289 FEOLCUPJUQYYBU-NRFANRHFSA-N 466.585 5.398 30 20 JKED Cc1nc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c(C)s1 1786946888 IWGSPLUXYUHANJ-KRWDZBQOSA-N 472.614 5.377 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1788673199 OONNTNICCXNHED-STBIYBPSSA-N 482.540 5.110 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788738110 LRWYZHPPJINBPB-XMMPIXPASA-N 469.585 5.069 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc(C)ccc4c3)cc2)CCC1 1789034254 BCQPPJCTMBMOBO-IBGZPJMESA-N 458.562 5.092 30 20 JKED COc1ccc2c(c1)CC[C@@H](CC(=O)Nc1ccc(C3(NC(=O)[C@@H](C)ON=C(C)C)CCC3)cc1)C2 1789165429 AEUKUELHSJUHSQ-NHCUHLMSSA-N 491.632 5.125 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cn3)CCC2)cc1 1789508771 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C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sc(N)nc3c2)CC1 1826963435 VFPDPMZYHCUKTI-NRFANRHFSA-N 468.667 5.104 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1827298952 DKOVZJKFINRCLJ-DEOSSOPVSA-N 478.633 5.287 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2CCC)CC1)c1ccccc1 1827844569 JNBULTKPFHNKNC-CLJLJLNGSA-N 489.660 5.366 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1827855488 ZLABWCAGSYEUOL-QFIPXVFZSA-N 487.522 5.220 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccn(C)c34)CC2)c1 1828274363 HMNCEHZEIARHFF-ZBLYBZFDSA-N 482.628 5.352 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1828827815 VWERWIGWNPDPHJ-VWNXMTODSA-N 473.057 5.740 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)nc2)CC1)c1ccccc1 1829029328 BHLPTRQJGVGPLC-LOSJGSFVSA-N 478.036 5.166 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(Cl)s2)CC1)c1ccccc1 1829401886 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OROYEAVAXKGMIF-UHFFFAOYSA-N 470.472 5.665 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(C)c2)c1C 10178803 WQZOVCOSWHPEGY-UHFFFAOYSA-O 485.029 5.335 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1cccc(Br)c1 11085055 KDNABNVIIKZAKU-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Br)c2)cc1 11085140 WQPCHXIZMGURNQ-UHFFFAOYSA-O 480.451 5.839 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@@H]1c1cccc(C#N)c1 11559725 FKLOXELNGGRHEI-RUZDIDTESA-N 486.572 5.363 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)n(C2CCCC2)c1C 12479900 JKEQBAURBGUOTR-UHFFFAOYSA-N 473.524 5.785 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(CO)c2)cc1C 15247986 PGRCOURDGBUAAM-UHFFFAOYSA-O 460.406 5.441 30 20 JKED C=CCn1c(SCC(=O)NCc2ccccc2OCC)nnc1-c1ccc(Cl)cc1Cl 20413012 XXKXWCMTWARURL-UHFFFAOYSA-N 477.417 5.245 30 20 JKED Cc1csc(SCc2ccccc2C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 22621362 STERXBGLIXIMKK-GOSISDBHSA-N 465.600 5.236 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(C(C)(C)C)cc2)s1 22693391 KZUOSYJSDDFZFJ-UHFFFAOYSA-O 459.660 6.846 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1cccc(Cl)c1 22730620 USYGLINJIIPYOG-UHFFFAOYSA-O 454.959 5.457 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)n1 26145804 DEKLVVOJDOFVLK-LBPRGKRZSA-N 450.511 5.029 30 20 JKED CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 107877117 BUUZGYLWFNFJPJ-UZUQRXQVSA-N 482.005 5.325 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)nc2sccc2c1=O 247971616 DNMGEQONGBLUGF-UHFFFAOYSA-N 495.240 5.988 30 20 JKED N#C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(OCc2ccccc2)cc1 303219634 UOPPURQNPKCIMO-BVAGGSTKSA-N 487.987 5.152 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3Br)cc2Cl)cc1 484143802 YILLWZFVVBPXMY-UHFFFAOYSA-N 484.737 5.021 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 487022910 CZBIUFLOXWRWKS-IBGZPJMESA-N 482.565 5.536 30 20 JKED COc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 487694164 YDYJFNOMMZLFEB-UPVQGACJSA-N 487.987 5.176 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1 501122952 SENJTYGNTLSAKM-UHFFFAOYSA-N 474.996 5.104 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)c2)cc1 501444408 PNBRFXWSONTSBX-UHFFFAOYSA-N 485.609 5.298 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(Cc4ccccc4)n3)c2)cc1 501447859 AKBKBKGAKZKWJF-UHFFFAOYSA-N 453.567 5.560 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)nnc1-c1ccc(Cl)cc1 502067778 HDTAFQYZXXLPSQ-NRFANRHFSA-N 485.009 5.073 30 20 JKED CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCSc2ccc(Br)cc21 504620394 KIIHUFDUVQUVNH-LJQANCHMSA-N 483.387 5.802 30 20 JKED Cc1nc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)sc1SCC#N 504716685 OMDPWSWLYUFLML-UHFFFAOYSA-N 487.404 5.334 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 509710362 CWRUCDKVCHHSPJ-CTBJKRMSSA-N 454.530 5.642 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c2)cc1 509915851 YHQQARWKQJCMGG-VWLOTQADSA-N 469.541 5.472 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 511162989 ULWZUHCZTLPEIS-GOSISDBHSA-N 461.562 5.678 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)Nc4ccccc4COc4ccc(CC#N)cc4)CC3)c[nH]c2c1 511306916 PHIGSEZKXGQGSW-UHFFFAOYSA-N 476.580 6.443 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 511363933 NZJOIYDBHBAPKW-UHFFFAOYSA-N 482.584 5.279 30 20 JKED CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1Cl 511431793 KCIFUBRXTVTPEE-QPPBQGQZSA-N 495.410 5.006 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 515422749 UYHUMSQZXOHYHI-INIZCTEOSA-N 456.999 5.105 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 515724334 ZWWQNNRCBHUCQQ-UHFFFAOYSA-N 476.251 5.826 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1 517447492 IKDPICVCIROKSN-OAHLLOKOSA-N 455.634 5.573 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)CC1 517476835 KPDBXHYEMYLAAO-XMMPIXPASA-N 483.959 5.080 30 20 JKED COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 518137598 LUPACLBODMKOSI-QGZVFWFLSA-N 495.626 5.309 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CCSc2c(F)cccc21 518159551 QINSSEMTUHKRRS-OAHLLOKOSA-N 483.512 5.142 30 20 JKED COCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H](C)c1cccc(C(F)(F)F)c1 519909525 CQBSFNOEUJUWAX-MRXNPFEDSA-N 488.535 5.866 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc(-c3cccs3)nc21 520187563 SSWZVOBVPCQISV-INIZCTEOSA-N 461.616 6.387 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521209146 SRTRQFFMAVHKRN-UHFFFAOYSA-N 476.002 5.939 30 20 JKED Cc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1NC(=O)c1ccccc1I 521328989 ZEIMHOJYMMJVNY-UHFFFAOYSA-N 496.308 5.368 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 521329620 JECSIFJZQBZPNH-KRWDZBQOSA-N 458.612 6.502 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cc1Cl 521432487 GPAXLBAZLXQDPF-QHCPKHFHSA-N 490.966 5.053 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 521726771 OSONNYNNHLEXHL-JTSKRJEESA-N 479.005 5.975 30 20 JKED Cc1nc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)sc1Cc1cccc(Cl)c1 521784639 JQOLXLIXLOYJQT-UHFFFAOYSA-N 466.994 5.361 30 20 JKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc(-c2ccccc2)cs1 522489082 JFQZXHOPTJFJNR-SFHVURJKSA-N 468.563 6.129 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(Oc2ccccc2)cc1 523234498 LKZQEGZNYCZMEO-MRXNPFEDSA-N 483.446 5.108 30 20 JKED N#C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(OCc2ccccc2)cc1 552450432 IUBUNELKGJRCLP-ZJSXRUAMSA-N 494.517 5.277 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1nc(C)c(-c2ccccc2)o1 553190351 NMHZHZDTQQQLOA-UHFFFAOYSA-N 453.517 6.135 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590332547 QWWYZSFBZIKXGW-HZPDHXFCSA-N 492.435 6.744 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)s2)cc1 602229842 SSTPSWIWWUSNRK-UHFFFAOYSA-N 472.551 5.917 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 604128142 QPKFVGJRINXDOU-QFIPXVFZSA-N 452.327 5.391 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604234711 ICSSISYBISMWQT-CYBMUJFWSA-N 456.271 5.053 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 604394248 UCYCDAODWZIKNV-KRWDZBQOSA-N 469.994 5.164 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 609061859 JDDHRQBLESFYDO-UHFFFAOYSA-N 499.574 6.005 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1c(F)cccc1F 609062527 TVZPURYQQQEYCE-QFIPXVFZSA-N 483.902 5.275 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cs1 609065104 WXJCDPUXAUYVIH-UHFFFAOYSA-N 455.539 5.734 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 609078579 AUDXGBLLJWLFEQ-HXUWFJFHSA-N 468.557 5.455 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 609080734 NAAQUHTXVIUSPH-FQEVSTJZSA-N 458.537 5.500 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 609381715 OATANKTVIUYHCN-UHFFFAOYSA-N 450.873 5.803 30 20 JKED C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1-c1ccccc1OC 613932909 QXYJJFXHXUBKBH-LJQANCHMSA-N 470.598 6.245 30 20 JKED O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618542083 QMTFRXGWPSYUJL-RYUDHWBXSA-N 451.342 5.608 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622379383 RTIULKSWUFMZHT-UHFFFAOYSA-N 456.383 5.127 30 20 JKED Cc1cc(F)c(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1F 622517199 CLYJEPBJASMUHH-QGZVFWFLSA-N 453.329 5.525 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 623256062 LZKPYDSFLVDMGY-RKDXNWHRSA-N 492.317 5.065 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)o2)cc1 642282140 OCWTXCNDIMTMRS-MRXNPFEDSA-N 454.429 6.268 30 20 JKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c3c(C)noc3n2)c(C)o1 642282322 CWZNKMAXHLOPBE-INIZCTEOSA-N 461.428 5.643 30 20 JKED O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642447607 BNZHIVWRZJMVSF-QWRGUYRKSA-N 487.416 6.043 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nc2ccccc2n1C(F)F 648080351 SWRPCPHVNGTNET-CQSZACIVSA-N 475.952 6.295 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccccc1OC 684998494 FNLVYWUFKNOELE-DEOSSOPVSA-N 486.597 5.620 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 726322304 UQWAEJLWDQUKRL-INIZCTEOSA-N 465.296 5.466 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CC2)c1 726406379 WNSODBBCTVIBNX-LJQANCHMSA-N 471.554 5.105 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(F)c2)cc1F 726409595 BSVGNPXXZSRMPZ-JOCHJYFZSA-N 499.514 5.273 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1C1CCCC1)c1cccs1 726414973 DNKTVYCXSSZWNV-KAVHPSCTSA-N 470.664 5.147 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCO3)[n+]2ccc(Cc3ccccc3)cc2)c1 726572540 ABLHNJARTGIHJI-UHFFFAOYSA-O 489.620 5.804 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 726691469 FSFPQDFWULKIMQ-UHFFFAOYSA-N 469.375 5.156 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)cc1 726940841 VRTRGILSJYJTTD-UHFFFAOYSA-N 461.525 5.609 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 728025563 KCBOCIJBQSYSQJ-XZOQPEGZSA-N 479.577 5.124 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1OC 728438225 CGZIJQLQVKBJJB-FPYGCLRLSA-N 485.895 5.116 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)cc1Cl 728775772 BVZKIAVGEVKRMQ-NRFANRHFSA-N 499.036 5.620 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1CCCCC#N 728776511 CLAGUIYTMKCETL-OAQYLSRUSA-N 479.993 5.174 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCCCC#N)C2=O)cc1Cl 728777513 LAGMXWQWWLUZOC-HXUWFJFHSA-N 454.983 5.303 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c1 728777762 NWIAAWNUBVXWJO-NRFANRHFSA-N 452.555 5.097 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCCCC#N)C2=O)cc1 728779303 XYVKLFOZXAGOJM-JOCHJYFZSA-N 464.591 5.048 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3scnc3C)C2=O)cc1 729146506 RXFWDCYDXGDOBO-OAQYLSRUSA-N 494.642 5.319 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 729633303 CVFGYWFYXURPIA-RUZDIDTESA-N 498.583 5.843 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1 730691564 KGIVUHIXSGONJP-FOIQADDNSA-N 458.898 5.109 30 20 JKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 731059965 ATZFYCWYTJEMJS-HXUWFJFHSA-N 486.593 5.724 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)ccc2F)cc1 731312186 IXYXJZVBTYDQGX-QHCPKHFHSA-N 493.560 5.009 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1c(C)cccc1C 746695484 GQLUAGMHEWMAFA-NRFANRHFSA-N 453.608 5.080 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2ccsc2)C1=O)NC1CC1 750908498 APPOFPVWEUMQOP-JOCHJYFZSA-N 461.612 5.216 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc12 825460941 CEJPLNBWGCHVBJ-ZDUSSCGKSA-N 494.573 5.140 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)c1 837301777 HKLUFHLJRPAGPA-OAQYLSRUSA-N 467.591 5.665 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1cccs1 838487151 XZORCQRHSJBVAF-NRFANRHFSA-N 483.590 5.099 30 20 JKED N#Cc1ccc(OCc2cccc(-c3nc([C@@H]4CCC(=O)N(CC5CCCC5)C4)no3)c2)cc1 856576074 ORQHVYXPOIWMAT-HSZRJFAPSA-N 456.546 5.083 30 20 JKED C=C(C)Cn1c(SCc2nc(C3(NC(=O)OC(C)(C)C)CCCC3)no2)nnc1-c1ccco1 904417268 GJGMMEYAUAIODZ-UHFFFAOYSA-N 486.598 5.084 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1C 914539672 GEDIDGJYJRZFBQ-YKSBVNFPSA-N 472.614 5.098 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)cc1 914773113 XSCAYWNBRAXMRQ-HSZRJFAPSA-N 495.551 5.272 30 20 JKED CC[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)n1nnc(-c2ccc(Cl)cc2)n1 915086909 YFJJMXOSOMAHOS-XZOQPEGZSA-N 456.937 5.239 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 915087048 ZRSNKCLUAGYIRR-XMMPIXPASA-N 454.555 5.267 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(SC(F)F)cc1 916215669 XEFXAFURVZYUPU-GOSISDBHSA-N 479.574 5.380 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(Cc3ccccn3)C2=O)cc1 916217196 HPNYQUZWILNZHF-NRFANRHFSA-N 498.530 5.569 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(Cl)c(C(=O)O)c2)cs1 916259548 OJOZHDARNGIYGE-UHFFFAOYSA-N 482.871 5.644 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1-c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916845748 HSOYKSTVOBGTCD-IBGZPJMESA-N 455.539 5.198 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 916845771 JEDDPDNLNFJFOK-INIZCTEOSA-N 481.002 5.472 30 20 JKED N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916888611 YFBNEOIOGMDHNU-NSHDSACASA-N 479.719 5.688 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC(F)F 916905354 NVZGWXFQERZXAI-KRWDZBQOSA-N 452.413 5.050 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 916956097 XSRGLSVKRREXOG-WGGBDISSSA-N 465.981 5.053 30 20 JKED COc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(Cl)cc4)n3)oc12 917559455 JJUDMKXDQUGQDX-DHZHZOJOSA-N 452.919 6.132 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccccc2)C=C1 917610651 PEFCTAHIIKRMDC-UHFFFAOYSA-O 482.629 6.247 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)c1OC 917675108 UVJLAMDTDRUVMA-JOCHJYFZSA-N 493.560 5.003 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917703444 MMNGBHFQPBAZFK-HXUWFJFHSA-N 478.574 5.228 30 20 JKED Cc1cc(/C=C\C(=O)OCC(=O)Nc2ccccc2SCC#N)c(C)n1C1CCCCC1 918036544 SSCPCWDCWBPHRN-SEYXRHQNSA-N 451.592 5.421 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1 919639791 BMWHKWPHYBCQJT-LBPRGKRZSA-N 451.356 5.520 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(C(C)C)cc1 920353224 DPXJMDGNEOBCSH-QHCPKHFHSA-N 494.592 5.714 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CCC2)cc1 1786367337 KRSLJJRSQSQGIY-UHFFFAOYSA-N 478.486 5.575 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccn4)nc3)cc2)CCC1 1787004865 UOFAXBXSYJVLPB-UHFFFAOYSA-N 467.573 5.055 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4onc5ccccc45)CCC3)cc2)c(O)n1 1787172793 FPJQXUVZEQYYPR-UHFFFAOYSA-N 482.540 5.109 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CNc4ccc(F)cc4)cc3)CCC2)c1 1787986967 ZMCWBJRQUBJYLK-IBGZPJMESA-N 470.548 5.313 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789455237 OPISBBKAIQHKLH-CDIGIKMISA-N 493.648 5.287 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)c1 1790075477 ASEHMRPVCLOHJE-UHFFFAOYSA-N 476.536 5.177 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(C(F)(F)F)ccc5[nH]4)CCC3)cc2)c1 1790146151 FLOGMTHIRKYNPL-UHFFFAOYSA-N 491.473 5.448 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OC(C)(C)CC4)CCC2)cc1 1790564950 USHJHYYYRASJIJ-IBGZPJMESA-N 477.605 5.339 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1 1790566020 LXRFRNQHJWSBRA-HNNXBMFYSA-N 462.377 5.542 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790706711 QNTANSAGZWREAI-UHFFFAOYSA-N 471.677 5.551 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(F)c1 1790707084 CVIHSGSQTMHMJU-UHFFFAOYSA-N 485.559 5.281 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)cc(OC)c1C 1790766211 OEMKTELACKMOGY-UHFFFAOYSA-N 487.531 5.085 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)cc2)CCC1 1790773859 SBDUSADZXBHKQU-CQSZACIVSA-N 480.367 5.681 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785355 JBSFSGWXQJHWCN-UHFFFAOYSA-N 473.520 5.244 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791407417 FVBLILCSLJMYCF-LYZGTLIUSA-N 495.664 5.370 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3cncc(C(F)(F)F)c3)cc2)CCC1 1791772613 UUBDAWBULAEBKV-KRWDZBQOSA-N 459.512 5.379 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C)C2 1798591931 RRIYLFRBASOWDD-WKCHPHFGSA-N 483.653 5.586 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(OC)c2)[C@H]1c1cccnc1 1802501925 DELBJVFKIGLSFN-XXBNENTESA-N 470.013 5.056 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2cccc(F)c2)[C@H]1c1cccnc1 1803082048 NFCKLPGSBKBHOO-CUBQBAPOSA-N 498.602 5.371 30 20 JKED CCOc1c(F)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)cc1Cl 1803684780 OCYZDBNWIBEDQL-KQLYMOGASA-N 483.971 5.070 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1C(F)(F)F)c1ccoc1C(F)(F)F 1803866492 FPHZIOFWYCDRJQ-CLLJXQQHSA-N 478.364 5.022 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4n[nH]c5ccc(-c6ccccc6)cc45)CC3)C2)C1 1804782608 UVILJCSMRVNRFJ-UHFFFAOYSA-N 468.601 5.041 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)C1 1805332743 QUZJDOSGOODGEZ-LCYFTJDESA-N 486.015 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@@H]1c1cccnc1 1806997787 CEQQHMDOTPKGPB-CETQHOILSA-N 498.671 5.234 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1810500552 SQURRLQPRIODEK-NZQKXSOJSA-N 476.646 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)[C@H]1c1cccnc1 1810503476 RFYGPRDRGXRGOD-ALFJMTECSA-N 482.024 5.152 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2Cl)[C@H]1c1cccnc1 1811117906 GSENPMZAUAIYRN-XMSQKQJNSA-N 457.977 5.186 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1ccccc1CSc1ccccc1 1811688940 FQTQWTSWWFTBAW-OUTSHDOLSA-N 495.648 5.107 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1)C(F)(F)F 1812958584 VZIDENMQSLNLTA-ILBGXUMGSA-N 487.566 5.181 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccoc34)[C@H]2c2cccnc2)c1 1813868565 OJEJDRKSCWNNPD-LUPFDQBXSA-N 478.552 5.088 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c1Cl 1813879265 OSQFPVRTALMOAZ-AMGIVPHBSA-N 499.014 5.119 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(Cl)cc3F)[C@H]2c2cccnc2)cc1 1813973300 SBSQXDPMXMBFML-WZONZLPQSA-N 497.357 5.033 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1814108331 TZRKBEIOMNIGAR-NEKDWFFYSA-N 483.637 5.107 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)[nH]n1 1814824491 VRALXHBQEWISTK-FUDKSRODSA-N 450.558 5.113 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CC(C(F)(F)F)(C2)C3)n[nH]1 1815345698 VHWUKRUBFWPYLU-WDGBRCNXSA-N 494.634 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2cccc3ccccc23)n[nH]1 1815648868 FMQVMTZVVRPTIR-ZJSXRUAMSA-N 472.589 5.402 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1815655099 HSJLXHJALFMLIP-CYBMUJFWSA-N 459.424 5.003 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c(Cl)c1 1815789400 GSLBWZMMWPNGHO-DFWCCGOPSA-N 498.974 5.435 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3oc4ccccc4c3C)[nH]n2)c(O)n1 1816241398 HOJPSTACEWPIED-JOCHJYFZSA-N 499.571 5.303 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccccc3Cl)n[nH]2)c1 1816905761 BBNAPZOJODAYLK-SBUREZEXSA-N 475.980 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)sc2C1 1816952428 ZVUDBEYJMKFTQJ-DLBZAZTESA-N 498.052 5.001 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n[nH]2)c1 1818164209 AMDHQTCLUNKEOK-QFIPXVFZSA-N 499.958 5.814 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc5occc5c4)sc3C2)c1 1818455978 OLCCPIQZYYKCDS-MGPUTAFESA-N 470.554 5.056 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)n[nH]1)C(F)(F)F 1818931485 PXBAXQKHYQOAHN-SFNKJDCFSA-N 452.521 5.127 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](C#CC)c2ccc(O)cc2)[nH]n1 1819309669 FOODKBSNYXAUBW-RSEQLOHWSA-N 474.605 5.073 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)[nH]n1 1819310152 SLBPZDOUNWPZSM-ZEXKXVEZSA-N 489.664 5.300 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1 1819385126 JWNGFSQJQHKTLK-JOCHJYFZSA-N 476.653 5.513 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115522 BEJZPESKRHLECF-FQEVSTJZSA-N 472.574 5.229 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3csc4c3CCCC4)[nH]n2)cc1 1821180227 NJMSYEPEFIAJAO-QFIPXVFZSA-N 473.602 5.036 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1)C(F)(F)F 1821216022 WFJXMYIJNHZEKA-INIZCTEOSA-N 488.869 5.025 30 20 JKED COc1c(C)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1C 1821229864 WTQORXNGAFKGIZ-NRFANRHFSA-N 491.979 5.180 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821436880 RYUKAQRUNYCZSG-HXUWFJFHSA-N 481.698 5.310 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccoc34)n[nH]2)c1 1821543378 YIIANPIHZSBOLI-SBUREZEXSA-N 467.529 5.403 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1822582787 WXDOTOSRXHSZIU-IBGZPJMESA-N 464.463 5.067 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823214481 FTYLURASHQOWIC-CYFREDJKSA-N 487.629 5.443 30 20 JKED Cc1ccccc1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823685159 LWVVNOLUDJVYGL-NDEPHWFRSA-N 471.645 5.052 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1823752721 MDPFTGYESCYBEG-KCWPFWIISA-N 479.709 5.663 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C#N)CC1 1823887554 JGHQXOFDJWUJEN-HXUWFJFHSA-N 450.410 5.085 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)oc3cc(O)ccc23)CC1 1824142348 PNEZFIRARYUUSS-XMMPIXPASA-N 464.606 5.449 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)CC1 1824442998 LQNBENGLIJJGTE-QFIPXVFZSA-N 478.649 5.669 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)CC(=C)C)CC1 1824760009 AHEDKNROJPABLI-XZOQPEGZSA-N 489.701 5.068 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1825464515 HZNILHCCJWAJSV-OAQYLSRUSA-N 474.743 5.041 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)c1Cl 1826504390 NGQBHMGCZOHLJW-HSZRJFAPSA-N 484.427 5.341 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)cc1 1826569344 DYINSUHQTBVBEF-RUZDIDTESA-N 464.009 5.078 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826677727 ZOBOMPGDIMNVPE-QGZVFWFLSA-N 468.413 5.030 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)C4(C#N)CC4)CC3)ccc21 1826683434 IMMVIDJGVPEUSK-RUZDIDTESA-N 482.628 5.351 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827517217 DZHCCMQRNYSBFR-OAQYLSRUSA-N 474.070 5.282 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)cc1C#N 1828191291 RFSHNMCWYGRROK-RUZDIDTESA-N 499.611 5.639 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)ccc2n1 1828234805 NBAKMHMHFLFUCI-HHHXNRCGSA-N 484.575 5.101 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1828356471 IZWOLEKXEUAZCL-DBQZHCBRSA-N 481.596 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 1828821903 UKPYDAKEIUHNHJ-MPFGFTFXSA-N 491.720 5.287 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2F)CC1 1828903864 IVWFSFHLDXQSDK-RUZDIDTESA-N 470.705 5.039 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)n2)CC1 1829240117 JSSLMDHDHRXUHL-OAQYLSRUSA-N 463.544 5.102 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830441256 QNIMQRPFDXTQOB-CLOONOSVSA-N 456.602 5.060 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1830472182 RYRJCIRAKJJFQT-RXFWQSSRSA-N 461.581 5.308 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1830627938 BIQYJAKGUAMSPM-AREMUKBSSA-N 489.019 5.434 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 1830766607 JYMIREPBLLNKDH-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831238875 GPZUGLJYFURUQQ-FDDCHVKYSA-N 481.464 5.137 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1831375080 YRAXQMKIBMXCMU-PUHATCMVSA-N 491.717 5.148 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1831446271 XURDPUZQAWLQOJ-GOSISDBHSA-N 498.496 5.026 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 1831446567 BGVFLJYAUZZSGX-DEOSSOPVSA-N 473.608 5.122 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1)c1ccc(F)cc1 1831751481 IIYVHRRLEDFLAV-KMDXXIMOSA-N 462.675 5.139 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc(C)c1O 1832579932 KJFFBOVNSPBHTG-DEOSSOPVSA-N 480.008 5.081 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1832633254 DZLWGXQBFZZNSV-CJAUYULYSA-N 481.999 5.653 30 20 JKED COc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc(F)c1F 1832634074 NQWJPEYSERRCHR-KOSHJBKYSA-N 495.570 5.148 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)c1 1832634298 UGQZUNYLIJKQED-SKCUWOTOSA-N 495.627 5.046 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3F)CC2)cc1C#N 1832703808 UYZVALGRFNQXPZ-DEOSSOPVSA-N 495.570 5.171 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)CC1 1836881653 HUIGZGBVCKHTSS-QFIPXVFZSA-N 495.110 5.121 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3ccccc3c(Cl)c1OC)C2 1844203051 RUNSMXGKQIHPCO-LJQANCHMSA-N 452.982 5.087 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(F)c(Cl)c1 10757325 MAOQRWZAIYBIEU-UHFFFAOYSA-O 482.815 6.687 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1 10828461 MMQUYSQOTPZZIE-UHFFFAOYSA-O 475.996 6.408 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1CCC1=CCCCC1)C(=O)NC1(C#N)CCCCC1 15280886 SHBVKXNWNDFVST-LJQANCHMSA-N 464.635 5.110 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Br)cc1 16832616 WKUFYPUZSNZKIH-INIZCTEOSA-N 471.424 5.630 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cccs2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 17346041 RDZIQVACHQTKSP-UHFFFAOYSA-N 468.585 5.665 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1C 21603125 HNTHTRMVKWXPPW-OAHLLOKOSA-N 460.962 5.263 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccoc1C 21925105 JPGIWYZLLNDBGC-SFHVURJKSA-N 460.559 5.944 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccc(F)cc1 22033685 PYCRDEBRKMDKKX-HSZRJFAPSA-N 474.561 5.751 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc3c(c2)CCCC3)s1 22732631 UZUDBNDCNRRTTI-UHFFFAOYSA-O 486.480 6.036 30 20 JKED N#Cc1cccc(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)c1 26344592 PVGDEQFASHPTBE-UHFFFAOYSA-N 498.395 5.886 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2cccc(CC)c2)cc1 28811035 PQWDQWIYYUHSLJ-UHFFFAOYSA-O 482.467 6.302 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)nnc1C1CC1 36201917 SWTBIQNVWPAUEW-UHFFFAOYSA-N 470.602 5.233 30 20 JKED CCn1c(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)nnc1-c1ccccc1OC 103327812 ZTFCMKXXKGMACN-HEQHKCQXSA-N 462.619 5.335 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1 105447078 BDVPYBGPULLAKX-UHFFFAOYSA-N 477.586 5.063 30 20 JKED C=CCN(C(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1)c1nc(-c2ccccc2)cs1 109001355 RFSKNJYQOZGPGK-UHFFFAOYSA-N 493.633 5.031 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 109882848 UXCMVUWRABLTQC-MRXNPFEDSA-N 464.418 5.285 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 303087833 CDABFQNJYUOQNZ-UHFFFAOYSA-N 461.465 5.494 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 409923616 QFASJXYHIZCUBR-IBGZPJMESA-N 494.638 5.440 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)s2)cc1OC 487838928 QKJALRPWUOXLTD-UHFFFAOYSA-N 475.492 5.212 30 20 JKED N#C[C@H](NC(=O)c1cc2cc(Br)cc(Br)c2o1)c1ccc(F)cc1 494551589 BHDIUUKSCCDLGW-AWEZNQCLSA-N 452.077 5.092 30 20 JKED COc1ccc(CN(C)S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC(F)F 506249284 LNNYYDVTEHERDG-UHFFFAOYSA-N 493.372 5.155 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 506432450 WDGRQIRLULMHMC-UHFFFAOYSA-N 488.382 5.229 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 507891606 SHSPFBPIOYCOCG-IBGZPJMESA-N 491.494 5.443 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1Cl 510023805 OXHFWCNSKJQLSC-UPVQGACJSA-N 473.960 6.136 30 20 JKED CC1CCN([C@@H](CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2cccs2)CC1 510245295 PGQJRYZKOCEXDV-IBGZPJMESA-N 498.703 5.358 30 20 JKED C=CCN(C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc2c(s1)CCCC2 511815517 YMVNOTPQDGXKKZ-UHFFFAOYSA-N 466.451 5.802 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccccc1F 514294504 RRNGXJATGKKVIU-LBPRGKRZSA-N 495.458 5.317 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 515826466 BYVSRCWGOCRORQ-UHFFFAOYSA-N 484.537 5.107 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)n1 516349238 IDWYVBUGCRNYCM-KRWDZBQOSA-N 462.424 5.635 30 20 JKED Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnn1-c1ccc(OC(C)C)cc1 517513471 CTJJJJRNWMGIFI-UHFFFAOYSA-N 453.502 5.279 30 20 JKED COc1cccc(/C=C(/CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2nc3ccccc3s2)c1 518241076 UNVMSLJCZZKJJG-JIVYGXRASA-N 499.661 7.269 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)sc2n1 520514339 GKZYEDVJSBHCRM-SFHVURJKSA-N 492.988 5.716 30 20 JKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 521817580 KIZSDQNENCKHIT-QFIPXVFZSA-N 493.582 6.308 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524123645 SPXXYWNFSCGYHK-UHFFFAOYSA-N 469.570 5.011 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)o2)cc1 524418014 AQZURWFUVSNOII-QFIPXVFZSA-N 457.313 5.251 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 524565328 PPBGDNSOQOVQFC-GOSISDBHSA-N 476.568 5.697 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 603697547 CPURNRXOLFLSMT-UHFFFAOYSA-N 482.588 5.251 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 603750001 RLXYIVJESMDUJX-UHFFFAOYSA-N 461.547 5.561 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C(F)(F)F 603765716 ZYEOEVGIIMTAME-UHFFFAOYSA-N 463.419 5.511 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 604004039 PXSMRELTWDWHEB-UHFFFAOYSA-N 487.515 5.385 30 20 JKED Cc1nc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)sc1-c1nc2ccccc2n1C(F)F 604024268 WBAJQQSNFZMTHV-UHFFFAOYSA-N 479.921 5.189 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCc3ccccc3C(F)(F)F)cc2Cl)cc1 604322935 YZGGZUURPOXJJT-UHFFFAOYSA-N 487.865 5.320 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 604421668 OKOOTHJILYJWSK-FQEVSTJZSA-N 480.524 5.145 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604422531 QKWAVMSPCQUJJF-HZPDHXFCSA-N 499.411 5.187 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 604495288 MTDVBMVLYDDHNE-UHFFFAOYSA-N 460.481 5.381 30 20 JKED CC(C)(C)c1ccc(C2(CNC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CCC2)cc1 604533860 FXWQDGHWUIDDCK-UHFFFAOYSA-N 482.584 5.220 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCCN(c3ccccc3C#N)CC2)cs1 608788580 COIABDJKMMBBSV-UHFFFAOYSA-N 459.619 5.029 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(NC(=O)c4ccco4)c(Cl)c3)CC2)c1 609207161 JCVLFNHVYBFAJU-UHFFFAOYSA-N 464.909 5.132 30 20 JKED CCCOc1ccccc1Oc1ncccc1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609211796 WJCWNEOTKVQOBK-UHFFFAOYSA-N 486.572 5.287 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1 609428245 HEEBLFSBPFLTQU-IBGZPJMESA-N 479.627 5.467 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC 613392529 RXUSBVBKSGFMNG-INIZCTEOSA-N 471.376 5.860 30 20 JKED C=CCn1c(S[C@@H](CC)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Br)cc1 684191141 BJHIESYFGGMORS-IBGZPJMESA-N 487.423 5.412 30 20 JKED CCOC(=O)/C=C\c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 726073339 HVKHNMBKOFXEED-QINSGFPZSA-N 457.505 5.508 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2cccc(C)c2)cn1 726117098 RLJSEUDBEPMOAP-DEOSSOPVSA-N 489.645 5.031 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2ccsc2)C1=O 726419983 GYSHJQTXRFVWCF-PRLFLVJASA-N 485.656 5.408 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3\CCc4cc(O)ccc4C3=O)cc2OC)cc1 726427704 UGHWUPCPZQUJRN-XSFVSMFZSA-N 473.525 5.030 30 20 JKED Cc1cc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 726569921 OMGIXMRUHURAGV-UHFFFAOYSA-O 497.644 5.027 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCCC3)cc1 726570698 IPMALDKJHIGLDR-UHFFFAOYSA-O 475.037 6.264 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cc1 726856682 MPIORHDZNZWMBH-MHZLTWQESA-N 479.967 5.917 30 20 JKED CCn1cc(N=c2scc(-c3ccc(C)cc3OC)n2C2CCN(c3ccc(C#N)cn3)CC2)cn1 727252897 SLDYGCGBWJRVDM-UHFFFAOYSA-N 499.644 5.091 30 20 JKED N#C[C@H](C(=O)CSc1nnc(CCC2CCCCC2)o1)c1nc(-c2ccccc2)cs1 727266441 ZJIJXZUCPXHPLR-GOSISDBHSA-N 452.605 5.675 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)ccc2NC(C)=O)c1 727715447 KTZIDMUPSQNWBP-UHFFFAOYSA-N 498.004 5.240 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)o2)cc1 728148123 UKLNBHLLZHRSEE-LJQANCHMSA-N 467.453 5.006 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCCCC#N)C2=O)cc1 728780013 MOVSDDJQLUPGSH-HSZRJFAPSA-N 460.603 5.138 30 20 JKED CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c1=S 729472600 RIPDNTFLIHJNRH-UHFFFAOYSA-N 453.999 5.127 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 729634307 KCYZYPJPHBEZPX-OAQYLSRUSA-N 482.968 5.343 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O 730459689 LYAUKKXSMVNMLQ-FQEVSTJZSA-N 475.973 5.309 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c3c2CCC3)cc1 730920333 KISUDPFADUGRKF-DEOSSOPVSA-N 490.563 5.677 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 731039890 BMBMGVKRENVONS-NSHDSACASA-N 472.876 5.712 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 731059579 FURUFYHVASWYMF-CYBMUJFWSA-N 469.415 5.519 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(-n2cccc2)sc2c1CCSC2 731067905 LKHXZSVYOXRIMP-INIZCTEOSA-N 497.667 5.518 30 20 JKED COCc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)sc2cccc(F)c12 731069268 IQIXFBMWRCMEBZ-AWEZNQCLSA-N 472.563 5.234 30 20 JKED COc1ccc(NC(=O)c2ccccc2NC(=O)CNc2ccccc2S[C@@H](C)CC#N)cc1 731351824 ANGLOQARQRJQSL-SFHVURJKSA-N 474.586 5.392 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)cc1OC 743956592 ORIAEPOZXBXUMJ-PKNBQFBNSA-N 488.550 5.415 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)c1C 747601050 TUSFFDOHVFEWDV-HXUWFJFHSA-N 482.606 5.102 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC1 748984598 AYEBRFARTSYAAM-UHFFFAOYSA-N 474.996 5.104 30 20 JKED N#Cc1ccc(C(=O)COC(=O)c2c(-c3ccccc3)csc2NC(=O)c2cccs2)cc1 749443015 VGMVKNOTLBZMNN-UHFFFAOYSA-N 472.547 5.640 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)Cc2ccc(C#N)cc2)cs1 750243500 YKOLSHZMBFVQSG-UHFFFAOYSA-N 459.449 5.004 30 20 JKED N#Cc1ccc(CC(=O)OCC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)cc1 750246763 MEJYVEOIDUOQTO-UHFFFAOYSA-N 485.540 5.140 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)ccc1OCC(F)(F)F 750904108 FCZJEYHILJFMJZ-VZUCSPMQSA-N 450.457 5.452 30 20 JKED Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)cs2)cc1 762292503 DOTXXNWXTLWDHA-UHFFFAOYSA-N 498.608 5.181 30 20 JKED C=CCOc1c(Br)cc(/C=C2\SC(=S)N(CCCSC)C2=O)cc1OCC 814267294 ZZEPCKLTULYCTE-VBKFSLOCSA-N 488.494 5.367 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)cc1 837743906 FDXHBHDBLPTQQI-OAQYLSRUSA-N 481.574 5.250 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 837870649 VPMPEJPVYPMJKW-KSFYIVLOSA-N 480.540 5.390 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1F 838541144 URWKXWKORFEGMB-SPLOXXLWSA-N 484.503 5.220 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N(c2nc3ccccc3s2)c2ccccc2C)cc1OC 863968849 PKIWRENCLIEILZ-PEZBUJJGSA-N 456.567 6.556 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)NC1=O)Nc1ccc(Oc2ccccc2)cc1 913099811 UPBCCLWGBYPRBF-FQEVSTJZSA-N 451.935 5.380 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)c(Cl)c1 914539414 AYUDLCFDLNUVBI-INIZCTEOSA-N 468.431 5.164 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1nc(-c2ccccc2)cs1 915102575 YHIQEZDULDZPKH-QGZVFWFLSA-N 490.938 5.970 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915354224 XQFWGQGODIKJRS-FQRUVTKNSA-N 490.629 5.255 30 20 JKED COc1cc(C=NNCc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)Nc1ccccc1Cl 915971750 AECARVFZKLEZND-UHFFFAOYSA-N 491.897 5.509 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3csc(-c4ccccn4)n3)cc2)cc1 915984324 XHSKXFOWNABMTJ-KAMYIIQDSA-N 461.568 5.210 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccccc2F)cc1OC 916136428 MZQZRWXWAILRRG-XFFZJAGNSA-N 469.896 5.410 30 20 JKED COc1cc(/C=C/C(=O)c2ccncc2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 916136464 OKLDBCNXKMZMAS-QHHAFSJGSA-N 464.326 5.061 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O 916205725 LDKALPWZTIZHAM-HSZRJFAPSA-N 492.576 5.170 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1 916214306 LYBAXJMPDCGFDO-GOSISDBHSA-N 499.942 5.356 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(NC(=O)c2ccccc2Cl)c1 916310810 LGVQKOBZZGRHBD-UHFFFAOYSA-N 498.995 6.221 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Br)cc1 916897164 KHXJPIZKYVCNRH-NRFANRHFSA-N 493.357 5.306 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl 916904109 WIQPMHUMLXLBEM-AWEZNQCLSA-N 453.753 5.498 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916917104 DSNISAQQFXLSJA-DEOSSOPVSA-N 454.913 6.033 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2)c(C)c1Br 916937695 GIIWWQBUPKAEIM-INIZCTEOSA-N 489.732 5.005 30 20 JKED N#C[C@@H](C(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917042493 CNEPHNBWOVGUBQ-LBPRGKRZSA-N 477.855 5.454 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046182 HAPGTUNJZKWCBL-JOYOIKCWSA-N 452.750 5.251 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cn1 917674392 OHTCEAILOBNPED-JOCHJYFZSA-N 492.576 5.168 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 917699862 ZRCYSHHKPREWIH-IBGZPJMESA-N 493.457 5.641 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(C)n3)C2=O)c1 917703955 SJHUYJHGGQIIQV-XMMPIXPASA-N 483.597 5.039 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCC(=O)Nc3ccc(F)c(F)c3)cc2Cl)cc1 918052851 WILVHTACTGFKOW-UHFFFAOYSA-N 456.836 5.042 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1OC 918489740 MYNZMVKAUINHRZ-QGZVFWFLSA-N 456.951 5.298 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccccc2SCc2cscn2)c1C 919052863 ODFWPQTUYLZFJL-UHFFFAOYSA-N 465.600 5.156 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)cc1 920143026 CTAKYRZNRBZWFQ-GOSISDBHSA-N 468.460 5.513 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3)CCC2)c1 1785785483 WPCIVGQINFOYGR-UHFFFAOYSA-N 462.509 5.275 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CCC1)C(F)(F)F 1785788246 STSYYRVVXBRXLH-UHFFFAOYSA-N 458.267 5.255 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC(F)(F)F)c(F)c3)CCC2)cc1 1786374225 LFJJMMLPGHEQLM-MRXNPFEDSA-N 494.485 5.106 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C(F)(F)F)cc2)CCC1 1786782606 PRRQRSSGQBWEQM-UHFFFAOYSA-N 471.523 5.361 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnn(-c4cccnc4)c3)cc2)CCC1 1787136765 MPJQCOYMYGPWIN-UHFFFAOYSA-N 457.578 5.007 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5ccc(Br)cc5n4)cc3)CCC2)CC1 1789361903 IHVPFXQABBLLGZ-UHFFFAOYSA-N 489.373 5.049 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCc4ccccc4[C@@H]3O)CCC2)cc1 1789448614 DNOYZBCJROVCQC-AFESJLNVSA-N 458.602 5.185 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccn4ccnc34)CCC2)cc1)c1ccccc1 1789600890 UKUFDXMRDCKYPQ-VWLOTQADSA-N 476.580 5.279 30 20 JKED CCOc1ncc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790289667 MJJPPUPLINGVGO-UHFFFAOYSA-N 474.948 5.067 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(C)c3)CCC2)cc1 1790564923 SKCYGASGGDJQOG-OAQYLSRUSA-N 484.600 5.606 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnccn5)c4)CCC3)cc2)cc1 1790707781 NRAUKHRSMKVZSX-UHFFFAOYSA-N 487.563 5.271 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c1 1790767667 DJPSASFGFLPNRE-UHFFFAOYSA-N 484.943 5.153 30 20 JKED Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)S)cc2)CCC1 1791571059 YSJJDLZCWKURQT-XMSQKQJNSA-N 497.661 5.013 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)c(OCC)c3F)CCC2)cc1 1791584011 JJVIYMDCMIZLOS-UHFFFAOYSA-N 458.480 5.054 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC=C(C)CC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681270 CAMOOJJQTPRDNR-URXFXBBRSA-N 493.648 5.433 30 20 JKED Cc1cc(C)nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792123879 SHMZTKAQDDRDMG-LJQANCHMSA-N 452.558 5.387 30 20 JKED CC(=O)Nc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1792133611 DJMQPPVCLJAEDY-UHFFFAOYSA-N 486.959 5.232 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccn5cn4)CCC3)cc2)cc1C#N 1792168630 RJVJYVWJQHEFRQ-UHFFFAOYSA-N 493.567 5.055 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(Cl)cc3F)cc2)CCC1 1792174878 FBIDMNUFWUSAPQ-AWEZNQCLSA-N 480.367 5.681 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccsc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204065 KCXKFUQMILZDRN-QFIPXVFZSA-N 497.661 5.284 30 20 JKED COc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1F 1792205488 NRNNRVDRSFZIOR-SFHVURJKSA-N 471.532 5.523 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H]3C)CCC2)cc1 1792337555 ZRZZOQSWWMNSDR-PRLRPILQSA-N 481.637 5.026 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn(-c3ccccc3)c3ncccc13)C2 1793049282 XSLMVMXFKBQJNS-VILGAWFOSA-N 468.601 5.046 30 20 JKED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1795858537 SBSORBDDIYJJKV-ACDBMABISA-N 461.528 5.309 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccccc4)n4ccccc24)C3)cc1 1800543576 JYHYQKGYMUXLSA-OOSCYNTBSA-N 488.591 5.238 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/C(=O)c2cccs2)C3)cc1 1800604480 STSGUOAVXWPUKM-AYPWKMIQSA-N 484.621 5.414 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Cc1cccc(Br)c1 1802060974 OZPSIXWVJYKBGA-PHNZBSFLSA-N 473.455 5.034 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1802491978 JDDXACQKGMACDN-YKSBVNFPSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1802504436 XYQABABAKKIQGO-NAKRPHOHSA-N 496.655 5.764 30 20 JKED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1802691291 LZCYSAWBLLEJGH-CJFMBICVSA-N 497.624 5.161 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)COc3ccc(Cl)c(F)c3)CC2)C1 1804859776 LDQFMCZFSIDXGU-UHFFFAOYSA-N 465.009 5.082 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H](C)c4ccc(Cl)cc4)C3)CC2)c1 1805194942 LSWNACGODRTXCS-RTWAWAEBSA-N 478.036 5.616 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)C3)[C@@H]1c1cccnc1 1808148421 LIADAUYVUTZFOU-VWNXMTODSA-N 475.633 5.107 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3)C2)CC1)c1ccc(O)cc1 1809264217 XCCKIGOXOBXRGU-DEOSSOPVSA-N 493.047 5.017 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1809549256 OSGVMBWEOOUTAR-BIGMCNFVSA-N 478.036 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1810500553 SQURRLQPRIODEK-OFNKIYASSA-N 476.646 5.312 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)[C@H]2c2cccnc2)c1 1811936341 RFSCWJSDXWXNBR-LVXARBLLSA-N 497.986 5.030 30 20 JKED CC(C)/C=C/C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1813696789 ZSYILNXFERJOGY-QDICLZROSA-N 477.608 5.013 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@H]1c1cccnc1 1813989915 AKLKPWQCGUUSIO-JKJMAWGESA-N 485.603 5.343 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)[nH]n1 1814829079 KQHDPQXIBZJGBR-DEOSSOPVSA-N 457.578 5.341 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1815206753 CVKOXIQKEPKVFY-XMMPIXPASA-N 487.604 5.069 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815214418 HGCVUQUHSCNKRY-JXFKEZNVSA-N 482.968 5.220 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1 1815568981 JLKLULGKAZZVBU-GOSISDBHSA-N 470.612 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)n[nH]1 1816108957 SFZQFXVGZPRPFA-WIOPSUGQSA-N 487.604 5.488 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818208939 PAGSFDSGCDVTSQ-MRXNPFEDSA-N 452.477 5.320 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)cc2c1 1818562627 FGRFIMPBQFZVJW-VWLOTQADSA-N 480.572 5.010 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)n[nH]1 1818598823 RVWHYVCIOWTMIZ-OAQYLSRUSA-N 469.536 5.468 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1819309603 XSYSLEZETFSAJY-GMAHTHKFSA-N 464.610 5.661 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820096660 ZFZSOQKETHBKMM-HRAATJIYSA-N 473.602 5.691 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)n[nH]1 1820109015 IYYVGDHRPWSIOF-UUOWRZLLSA-N 482.588 5.471 30 20 JKED CSc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1O 1820196688 SUFLITPZOXIBSJ-HRAATJIYSA-N 489.601 5.084 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)n[nH]1 1820212293 HDWLPUUVFVGROI-LHSJRXKWSA-N 498.052 5.114 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)ccc1F 1820220863 FLIYWJFJELPDBX-HXUWFJFHSA-N 465.916 5.002 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)cc1 1820548859 JLBZKHPXERIXKR-IBGZPJMESA-N 468.344 5.208 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2[nH]nc3c(Cl)cccc23)n[nH]1 1820692729 TZMCWLIXTJRLMZ-FQEVSTJZSA-N 483.016 5.167 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)[nH]n1 1820973588 LYIRZXRLINFQOD-AUUYWEPGSA-N 480.396 5.132 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1)c1ccc(Cl)cc1 1821179018 NUMFZJBNTBBTLR-SBUREZEXSA-N 475.980 5.239 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)[nH]n2)cc1 1821183065 NZDIPGZTDBJODW-SFHLNBCPSA-N 487.526 5.150 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1821924421 BTCPDMZQBIGRCV-JTSKRJEESA-N 471.561 5.669 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)[nH]n1 1822382689 IQCJPKZCPKKPOJ-NHYWBVRUSA-N 493.452 5.011 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)[nH]n1 1822583517 RBHHNMNEUOJFBY-JLVIMGNISA-N 483.410 5.071 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cccnc4s3)[nH]n2)c1 1823215559 VDCJMLCUWLNNJF-IIBYNOLFSA-N 484.585 5.266 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)[nH]n2)c1 1823217295 KBZJUFPWNMLVBT-UUOWRZLLSA-N 494.555 5.311 30 20 JKED CSc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1O 1823217551 MKVXLFRWCSHMQB-IERDGZPVSA-N 489.601 5.084 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCC(F)(F)C3)CC2)cc(C(F)(F)F)c1 1823695150 CNFSDMNXNOQNAL-WIYYLYMNSA-N 497.508 5.246 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CC2)C1 1823701663 BBQPWRCCHYXXQE-XMMPIXPASA-N 472.589 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1824142526 VRPMEXIFXFXNAR-JOCHJYFZSA-N 451.636 5.298 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1824393239 ZUCDPWDNHNBNTP-FQRUVTKNSA-N 493.648 5.040 30 20 JKED O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824410339 INZLBMOVUSKTAY-HSZRJFAPSA-N 464.993 5.247 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)s2)CC1)c1cccs1 1827681594 KYYSIZMJQFCPSE-QRBZPYHOSA-N 491.078 5.064 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732653 HTWNQEJBSVCDHU-QPPBQGQZSA-N 489.081 5.788 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)cc1 1828188892 WUHRUMPCMJVYML-RUZDIDTESA-N 469.585 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2F)CC1 1828452522 XTVKCWDNSARKSX-AREMUKBSSA-N 470.629 5.155 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1828827088 HGPPATHIAVRCON-WZONZLPQSA-N 464.984 5.620 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1829069912 CEGBAFUEPAGTOZ-SVBPBHIXSA-N 479.709 5.263 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)CC1 1829686829 AXTFPWRMIZNISD-SANMLTNESA-N 474.649 5.369 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829699323 ZLCAPWPJBVLQIR-IRLDBZIGSA-N 463.043 5.274 30 20 JKED COc1cc(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1830463134 KOKHLGWGOZCHEJ-AREMUKBSSA-N 482.741 5.288 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)cc1 1830671884 LFMANKGBHDJNIT-SANMLTNESA-N 455.602 5.199 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(F)c3F)CC2)c(Cl)c1 1830723455 JOCJKJVRKZFONX-JOCHJYFZSA-N 489.925 5.176 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)CC1)C(F)(F)F 1830753833 CXKVXRNSFREBGN-QFIPXVFZSA-N 477.571 5.029 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1831371021 SANUJHKOTGONNU-JTSKRJEESA-N 456.030 5.575 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1)C(F)(F)F 1831452315 AJVSHBCOUSLGRH-PWRODBHTSA-N 468.947 5.182 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1831848461 SULFVFSMKBXCLM-FIBWVYCGSA-N 474.645 5.125 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)CC1 1838373581 XMRASHOSAZUBNX-NRFANRHFSA-N 496.545 5.225 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 1845353561 IFSLXEXDCUZNFK-UHFFFAOYSA-N 485.344 5.053 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccc(Cl)cc1 10240292 QNXDTGKGHQVVSE-KSKOPSKJSA-N 457.043 5.350 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159183 BNZRNVGAFIFNCE-UHFFFAOYSA-O 475.465 6.240 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11160427 FALHRCLXSLKHRY-UHFFFAOYSA-O 486.060 6.886 30 20 JKED CCOc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3C)=C2C)cc1 11207057 MUWUPTGUIMDGBB-AREMUKBSSA-N 482.609 5.614 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccc(CC)cc2)c1C 11265328 XATFYDUNICOUHE-UHFFFAOYSA-O 492.665 5.832 30 20 JKED Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2SC[C@@H](C#N)CCC#N)c(C)c1 15233019 ONBMCONRDMOMNT-OAQYLSRUSA-N 451.599 6.164 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1cccc(Br)c1 15247982 YSFXDEPCOVIWFN-UHFFFAOYSA-O 481.222 6.094 30 20 JKED CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(Cl)cc1Cl 15595010 GJQLSUIYLNCMBE-NSHDSACASA-N 474.797 5.238 30 20 JKED Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 16669618 QTHNBFULQVISNV-UHFFFAOYSA-N 462.623 5.410 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)nc2sccc2c1=O 17655221 ZORICSUEJAUSAF-FQEVSTJZSA-N 467.641 5.012 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 21121724 RERRMMVKZKDWIO-ZDUSSCGKSA-N 464.925 5.094 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nnc2-c2ccccc2)cc1 22160222 BYYAIEVTYIVVME-UHFFFAOYSA-N 471.611 5.589 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)NCc2ccc(OC)cc2)cc1 22692740 NGYVPQCVDPFADX-UHFFFAOYSA-O 483.604 5.893 30 20 JKED C=CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1[C@@H]1COc2ccccc2O1 24047763 WJEUTLVCPMYMBI-FQEVSTJZSA-N 466.950 5.577 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1 26498207 YOKQAQHYNXPASE-QGZVFWFLSA-N 464.591 5.470 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)cc1 28649199 DNAZNWHSQXIUJC-UHFFFAOYSA-O 461.607 5.402 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2C(F)(F)F)cc1 29649199 KDMXJQINLKFIDB-UHFFFAOYSA-N 467.476 5.371 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 30989501 RXAORAZHDJJOFI-UHFFFAOYSA-N 460.584 5.755 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nc2sc(C)c(C)c2c1=O 32324133 HRTPSVMNKVJABG-GOSISDBHSA-N 495.592 6.035 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccc(Cl)cc1 32326355 DIZNQAFGBOSWPO-IBGZPJMESA-N 494.970 6.559 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(F)(F)F)nnc1-c1ccc(Cl)cc1 32423622 BUNWZXWMNONCOM-UHFFFAOYSA-N 468.888 5.414 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 32787965 BZDLLUWXLGZRPT-AWEZNQCLSA-N 491.495 5.101 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cnn(-c3ccc(F)cc3)c2C)cs1)c1ccc(F)cc1F 72040175 SIXACHJLBABIJY-UXBLZVDNSA-N 482.487 5.635 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 104688957 PYLWUMZTJKYOPV-UHFFFAOYSA-N 485.953 5.710 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1F 195569787 AOYVWIKOFGASCV-UHFFFAOYSA-N 461.360 5.072 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 481099680 CRHMTFIFUAMXEX-UHFFFAOYSA-N 472.614 5.348 30 20 JKED CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482066373 KDJDOQOTUNFIHX-UHFFFAOYSA-N 481.474 5.859 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 482274001 VKFIRGWBUSTHLM-UHFFFAOYSA-N 451.511 5.307 30 20 JKED C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 484060907 QFHQPWKEJPIWCS-SFHVURJKSA-N 481.474 5.228 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)c2C#N)C1 487392178 ZKSYISQUKIJQER-MRXNPFEDSA-N 478.643 5.661 30 20 JKED C[C@@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2C1 492094112 IRUZFBUPQVVSGN-LCMCWVSWSA-N 489.579 5.180 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 494165751 XVIIDXBUAXPIKD-KNTRCKAVSA-N 491.547 5.871 30 20 JKED COc1ccccc1N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 495128163 PGPHNRAVIUMAKJ-UHFFFAOYSA-N 456.546 5.458 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)c2)cc1 497995647 CXDFXTWISRLHOS-MHZLTWQESA-N 473.548 5.684 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3oc4ccccc4c3CSc3cccs3)CC2)nc1 501368506 BXHIVQPXGYNIOR-UHFFFAOYSA-N 460.584 5.016 30 20 JKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 501742315 MOCQFOAPSSKEPW-UHFFFAOYSA-N 473.529 5.007 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2OCC)c1 502025192 CSKZAVKSYKTLPP-UHFFFAOYSA-N 488.968 5.511 30 20 JKED CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 504880830 DTFLIPKAZIFORR-QHCPKHFHSA-N 475.980 5.847 30 20 JKED O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 505461690 SXPYWMKJEYJSJC-MLGOLLRUSA-N 457.349 5.335 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1 508605001 QMGKXWHJXQJDEB-UHFFFAOYSA-N 477.358 5.800 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 509710366 CWRUCDKVCHHSPJ-XTFSCAMASA-N 454.530 5.642 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCN(Cc4ccc(F)cc4)CC3)c2)cc1 509909110 FYIUTVYSGYPXNN-UHFFFAOYSA-N 472.564 5.211 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc([C@H](C#N)c5ccccc5)c(Cl)c4)CC3)c2c1 510044484 LOSSWKSUSIEJEH-RUZDIDTESA-N 496.998 6.807 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 510504938 CSARSGXYTBKJNQ-NRFANRHFSA-N 482.584 5.636 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2ccccc2)c2nccs2)cc1 510598998 OXFDAKYREWPGEF-XMMPIXPASA-N 456.546 5.655 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 511307028 QOLRVUVPUDKWLV-KRWDZBQOSA-N 453.464 6.233 30 20 JKED CN(Cc1cc(Br)cs1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511483785 PLESYLXWUWZFDV-UHFFFAOYSA-N 469.364 5.298 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(C(F)(F)F)c1 511494116 YFBUKCOAMYONKP-KRWDZBQOSA-N 481.474 5.166 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)nc2ccccc21 513687303 PYTHLXWXEAUHPG-IBGZPJMESA-N 473.330 5.078 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 514022722 PPEINZMGLNBZOM-UHFFFAOYSA-N 456.565 5.205 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1nc(-c2ccccc2)cs1 515542331 UNKWSCLZXDRSFQ-URXFXBBRSA-N 465.534 5.242 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 516713600 AWBZETUEPUEJQV-SFHVURJKSA-N 480.578 5.490 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 517800672 AQBZVIORESSSAE-NRFANRHFSA-N 497.580 6.079 30 20 JKED Cc1c(Cl)cccc1Nc1nnc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 518128553 XVETUXDCDJNGBJ-ZDUSSCGKSA-N 490.079 6.226 30 20 JKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1cccc(Cl)c1Cl 518207201 BOTXTQKWOANHJL-INIZCTEOSA-N 479.161 5.725 30 20 JKED C=CCN(C(=O)Nc1ccccc1N1CCc2ccccc21)[C@@H](C)c1cccc(-n2cnnn2)c1 518255801 RNWUUHALTSPUCC-FQEVSTJZSA-N 465.561 5.138 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)c2)cc1 519122354 BNVYYBTYRPFKBH-JOCHJYFZSA-N 477.467 5.195 30 20 JKED CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 523200756 NOZQRYJRXOOHBP-PGRDOPGGSA-N 452.986 5.012 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 524316539 KRRNWXAFQMPINS-UHFFFAOYSA-N 458.905 5.225 30 20 JKED Cc1c(Cl)cccc1-n1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccncc1 553071695 VVHPQSGBGVVTSV-UHFFFAOYSA-N 474.977 5.284 30 20 JKED COc1ccc(-c2cc3nc(CN(Cc4ccc(C#N)cc4)CC(C)C)[nH]c(=O)c3s2)cc1 558073474 SDDIUDJINFGMHF-UHFFFAOYSA-N 458.587 5.190 30 20 JKED O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCC#Cc1ccccc1 603460924 RTJVCTKAYATASR-HEHNFIMWSA-N 453.523 5.303 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCCOc3ccccc3Br)s2)cc1 603728389 BEZQDLJHFNJXFH-UHFFFAOYSA-N 489.420 5.262 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c(C#N)c1C 604231202 WPAVJDGSNRRQTN-UHFFFAOYSA-N 493.614 5.720 30 20 JKED COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604500559 SIFQFSLJLNSQAC-UHFFFAOYSA-N 457.574 5.629 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609073469 IVYSFCUAWOBWMS-DEOSSOPVSA-N 494.016 5.281 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 609088665 BOUHXGDZODZBJO-XUZZJYLKSA-N 493.485 5.075 30 20 JKED CCOc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609088758 JMQLBENWKNCISQ-KRWDZBQOSA-N 477.948 5.005 30 20 JKED C[C@@H](NC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C#N)cc1 609356376 WWDVKJOQJZQWNF-MRXNPFEDSA-N 466.463 5.390 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613344295 DCWSWZCMCPTFMW-KRWDZBQOSA-N 473.385 6.137 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c12 613391827 DEBPFBMBEQWOAK-IBGZPJMESA-N 457.603 6.232 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nc2sccc2c1=O 613442766 HZPNGOJVMSSSSE-HNNXBMFYSA-N 483.615 5.195 30 20 JKED CN(C(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)C1CCN(CCC(F)(F)F)CC1 622675672 UIRQSMUXBMBMDP-UHFFFAOYSA-N 476.436 6.000 30 20 JKED N#C[C@H](C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281566 KDCKMNCOYBAWHY-QGZVFWFLSA-N 484.364 5.256 30 20 JKED O=C(Nc1ccccc1OCC(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642475779 RUJRFGMFYZERGT-NXEZZACHSA-N 452.317 5.659 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(Nc2ccc(C)cc2)n1 684254854 RVVRPWNPWNQSLH-UHFFFAOYSA-N 454.669 5.293 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(C2CC2)[C@H]2CCCc3ccccc32)c1=S 725771000 GKNRTVGHPVAHCY-DEOSSOPVSA-N 451.684 5.128 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 726322342 VQXQXBUVUIRUCN-GOSISDBHSA-N 465.296 5.466 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H](C)c1ccccn1)c1ccc(Cl)cc1Cl 726398956 WCBUYVYRBRNAOG-MUFWIFHSSA-N 491.444 5.179 30 20 JKED Cc1ccccc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1ccc2c(c1)CCCC2 726570563 GFTGDUSSJNKZTA-UHFFFAOYSA-O 461.010 6.010 30 20 JKED CCN(C[C@@H](C)C#N)Cn1nc(CSc2nc3ccccc3s2)n(Cc2ccccc2)c1=S 726963830 NSZWMWZUASLYOY-SFHVURJKSA-N 494.715 5.803 30 20 JKED COc1cc([C@@H](C#N)NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC 727646836 GQRXPATZZADVGL-YIEVGGLXSA-N 488.384 5.144 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CCCc3ccccc3)C2=O)cc1 728424652 FVAYQWBXLBRRRB-VWLOTQADSA-N 493.592 5.023 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(CCCCC#N)C2=O)c1 728780728 XWHYFSPBRIEBAC-OAQYLSRUSA-N 499.036 5.620 30 20 JKED O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(F)c(Cl)cc1Cl 728972114 HQCUZRKZJVOEDV-HNNXBMFYSA-N 464.164 5.331 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 729144586 DTAQGEVOJIOWDP-SFHVURJKSA-N 488.997 5.405 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729146886 ZZWXKCLDGCQGPI-FPOVZHCZSA-N 459.974 5.088 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(F)c2)cc1OC 729244919 JRXUDNFFIXSLQG-ZXRXZOBYSA-N 464.512 5.585 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 729632285 ZVVPJRKZNNIGSQ-AREMUKBSSA-N 494.620 5.381 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1Cl 730687541 OVGDQHGOHSWOGO-CYBMUJFWSA-N 481.883 5.257 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)S/C2=N\[C@@H](C)c2cccs2)s1 730730530 WPKFGSDKPKHZPC-AGGRJKRMSA-N 485.660 5.059 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C2SCCS2)cc1 730995040 NUZMWMMQDMFTOF-UHFFFAOYSA-N 454.564 6.442 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731064395 QIMPVIRGQDAPDV-INIZCTEOSA-N 482.993 5.083 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(Cc2cccnc2)C2CC2)ccc1Cl 744360846 QNNBRQMVRJXQTE-UHFFFAOYSA-N 499.995 5.060 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 744766368 OWQMPEFEXOYIMN-UIOOFZCWSA-N 474.992 5.190 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(F)cc1F 745583156 CIPGHTWJTACMHV-QFIPXVFZSA-N 494.498 5.136 30 20 JKED CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 759671978 GCTIXTPKHFDPEL-KRWDZBQOSA-N 450.007 6.667 30 20 JKED COc1ccc(-c2nc(C=Nn3c(S)nnc3COc3ccc(C(C)(C)C)cc3)cs2)cc1 767151018 CMVBSPZCXZUTLY-UHFFFAOYSA-N 479.631 5.458 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(OC(F)(F)F)cc2)cs1 812460910 BLGDEBGYCUTCRO-UHFFFAOYSA-N 454.861 5.826 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837395875 XCKWVKNCXPWNML-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@@H](C)c1ccccn1 838481517 IZWHKQIHMVECBR-FDDCHVKYSA-N 474.586 5.120 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2c(-c3ccccc3)n(C)c3ccccc23)c(OC)c1 839403129 GGAJZDGUVGOLCV-UHFFFAOYSA-N 469.570 5.292 30 20 JKED CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C2)ccn1 856652573 CUHXNRQDJAZIEF-VWLOTQADSA-N 486.641 5.238 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 875019106 SFMXDLQLSZNPGP-UHFFFAOYSA-N 456.449 5.569 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(NC(C)=O)c3)N(CCC(C)C)C2=O)cc1 913119408 NBWNZIJNTBMYDL-HSZRJFAPSA-N 496.633 5.050 30 20 JKED C=CCn1c(SCC(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 914440232 XQSRGRNHWYKGGT-UHFFFAOYSA-N 458.927 5.007 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)n2)cc1 915085891 PQGGDSRLAUUNNG-XMMPIXPASA-N 452.514 5.362 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 915733301 KFHMMSXTHAUQDE-VSGBNLITSA-N 459.549 5.381 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 916204657 IAEKSCNWYIZJIV-LJQANCHMSA-N 461.509 5.445 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(Cl)cc1Cl 916215744 YOTZMLGMSUPPHF-IBGZPJMESA-N 494.400 5.157 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 916217733 WCCWOPUCZPBSAL-KRWDZBQOSA-N 452.338 5.279 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2s1 916847386 DSTRNFNVJRNRKG-PGRDOPGGSA-N 463.356 6.055 30 20 JKED Cc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1C1CCCCC1 916847433 PCWZSOUMXRERHB-JNCYCUAHSA-N 474.630 6.089 30 20 JKED COCc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)sc2cccc(F)c12 916902782 JQDOIFFLEQMXHO-LBPRGKRZSA-N 460.914 5.118 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)cs1 916919239 VGFQZIGEUJGXGT-JOCHJYFZSA-N 457.580 5.858 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 916955307 OQELZEMPDCHLBW-FOIQADDNSA-N 450.926 5.184 30 20 JKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996428 MFEZIDAVAIHGRL-MEDUHNTESA-N 478.382 6.382 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(C)Cc2csc3ccccc23)c1=S 917454212 FBTDLVYPUTXPAN-OAQYLSRUSA-N 464.616 5.417 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)cc1 917663748 FLFSZKHBEPOSHA-OAQYLSRUSA-N 481.574 5.250 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1ccsc1 917694171 BZBAHIXMGJAOIA-QFIPXVFZSA-N 493.610 5.120 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccco1 917707206 QWEGPTWPWODGPC-HXUWFJFHSA-N 498.486 5.331 30 20 JKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 919664326 CVLJAEFJYRQQAF-HXUWFJFHSA-N 469.393 5.925 30 20 JKED CC(=O)Nc1cc(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)ccc1F 919701367 ZNBSMJYUBWLXQP-HSZRJFAPSA-N 492.532 5.619 30 20 JKED CCCCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2I)c(C)c1 919760602 SUZQHOWCIZNWTP-UHFFFAOYSA-N 478.374 6.151 30 20 JKED N#CCOc1ccccc1C(=O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 919813791 PFDKLIBLUDKGDL-UHFFFAOYSA-N 496.430 5.038 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 920109659 HZTLBKGZPSPTER-FQEVSTJZSA-N 493.325 5.946 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](C)c1cc2ccccc2o1 920195821 UTXBDZOFAFIVPN-NBGIEHNGSA-N 465.553 6.027 30 20 JKED COc1cc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCc1c(C)noc1C 920268664 OQUKEWWJBFPCEH-RDBXKPKDSA-N 486.553 5.287 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cc(C(C)C)[nH]n2)ccc1Cl 920301850 LNLJCNPYKMTLEN-UHFFFAOYSA-N 493.416 5.474 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2cccc(C)c2C)no1 920353444 JQKWGEGAZQJVKZ-NRFANRHFSA-N 484.528 5.039 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@@H]2CCCO[C@@H]2c2ccccc2)C1=O 920358793 BFXBFIAIQSOAEL-LLZJGCNPSA-N 487.625 5.075 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cc3ccccc3s2)C1=O 920478816 LYPHMJYFRGPVFR-SFHVURJKSA-N 477.533 5.188 30 20 JKED C=C(Br)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C 920985250 SBBXPEIYTBBBGR-GOSISDBHSA-N 476.371 5.003 30 20 JKED C=C(Br)CNC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 921043629 ZWZDVMDYNKROQX-UHFFFAOYSA-N 474.207 5.363 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)s1 921129227 VBVYAIAXKXWFLP-VWLOTQADSA-N 469.566 5.473 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 921131249 HXCGAKIHCYRREZ-JTQLQIEISA-N 470.790 6.101 30 20 JKED CCCOc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OCCC 1122401759 FCNXITBQWNQROV-KRWDZBQOSA-N 465.575 5.343 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cc(F)ccn4)cc3)CCC2)c(Cl)c1 1786823200 CBJIBQBTAHRNID-UHFFFAOYSA-N 476.939 5.126 30 20 JKED Cc1nscc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1787191793 VKFJPTKQWWXLOA-UHFFFAOYSA-N 450.951 5.038 30 20 JKED CNc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cc1 1787999765 UHZHTVFYPBYHRN-UHFFFAOYSA-N 458.949 5.315 30 20 JKED Cn1c(CC(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cc2ccccc21 1788649165 CBEIIKVCOHVZAZ-BUHFOSPRSA-N 497.620 5.356 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789151246 IPFJGMZQXLLUKW-BJKOFHAPSA-N 467.009 5.560 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCCC4(F)F)cc3)CCC2)cc1 1789167175 WNJIDKBKLPSRRP-VWLOTQADSA-N 469.507 5.418 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)[C@H](S)C(C)C)CCC4)cc3)cc2c1 1789240550 AGEDVLPFBALNAB-JOCHJYFZSA-N 452.576 5.144 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)cc5cn[nH]c45)cc3)CCC2)C1 1789374171 FKWNFSDJOWDDBL-UHFFFAOYSA-N 479.378 5.039 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1789491719 MEPKPEKVVUDNCS-ZXYASIKESA-N 458.558 5.153 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCCCO)cc4)cc3)CCC2)c1 1790059304 LSUAQFBWWPVHAU-OAQYLSRUSA-N 497.595 5.136 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nn(C)c(C)c3Br)cc2)CCC1 1790159373 ABLZCYFNRSDQLD-IBGZPJMESA-N 485.426 5.007 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)cc2)CCC1 1790760891 YVSXHHDVOVUTRG-UHFFFAOYSA-N 454.452 5.029 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cn5c(Cl)cccc5n4)CCC3)cc2)c1 1790763962 PIBACKXICYPRBG-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)cc2)CCC1 1790994502 LCCXCLDECJJLHN-UHFFFAOYSA-N 495.604 5.565 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C(C)(C)C#N)CCC2)cc1)C1CCCC1 1791033801 WVQQXJVFOQBNRD-QFIPXVFZSA-N 496.652 5.144 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(OC)c(OC)c3OC)CCC2)cc1 1791243791 FWCHJPFHJZSWGX-OUQXZNHLSA-N 478.589 5.072 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)cc2)CCC1 1791726908 VXWZLCPEFPPSJH-OAQYLSRUSA-N 497.636 5.039 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791731817 KNZDCOSRJPBXKR-MUUNZHRXSA-N 495.664 5.351 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc2)CCC1 1792391946 DEPVTOUELDWSMG-HYBUGGRVSA-N 495.664 5.534 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH]c2cccc(Br)c12 1793238472 FLXVPFGWQSWERT-REPLKXPHSA-N 486.454 5.104 30 20 JKED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)cc1 1799147836 SFHSMFMNTVUSRA-NUNAXRQHSA-N 494.620 5.263 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)C3)c1 1800766779 BWOCIXLGMJYGOJ-YLJCJYEASA-N 483.534 5.027 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC2(CCCN(C(=O)c3cc(C4CC4)on3)C2)CC1 1805146657 GRMQFIJSYIOYQT-UHFFFAOYSA-N 493.607 5.110 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1 1811366999 JWTHOEWXTWCFAH-VPUSJEBWSA-N 474.649 5.464 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1)c1ccc(F)cc1 1811368847 YVUZKVSFMGTSQY-FPNNDXFKSA-N 498.602 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1811714176 ZEKHQMNUJWZNGF-CVDCTZTESA-N 472.416 5.476 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1811748937 GHGMPYPZOUOMRB-ATIYNZHBSA-N 493.051 5.533 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1 1811997111 FQDWCHLQPRUVNL-GBXCKJPGSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1812986579 OAEFKRQWJXOANY-HOKHCIIBSA-N 480.052 5.465 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n[nH]2)c1 1816942147 HWEGHRXDOGPPQM-QFIPXVFZSA-N 495.505 5.157 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(C)c2F)n[nH]1 1818435700 ZZPQNIWRLNHIAD-MRXNPFEDSA-N 499.331 5.137 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[nH]n1 1819311179 OWTFJRQIBOOZGO-MLYOOKFZSA-N 466.548 5.539 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)[nH]n1 1819387040 VRIHYOYRFSHFRO-FQEVSTJZSA-N 481.698 5.310 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1 1820911362 YYQHKCIGEBVZFX-ONTIZHBOSA-N 499.656 5.008 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821090406 SJYYTEDYQIAGDI-LJQANCHMSA-N 480.918 5.581 30 20 JKED Cc1csc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)c1 1821308681 APGLLZRBRDHVQS-GOSISDBHSA-N 487.507 5.290 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)c1 1821325439 HDKDIUGPDRQEBN-NRFANRHFSA-N 483.906 5.141 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)s1 1821693223 UCHZIWQPROFMAB-NRFANRHFSA-N 490.633 5.285 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1 1821860160 IUQGMPPSTBFMQN-QRWLVFNGSA-N 494.423 5.142 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c1 1823206037 GDKGPIRMYBSPSR-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)[nH]n2)c1 1823211773 BEXXSCITNVAHPJ-MHECFPHRSA-N 494.555 5.311 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(OC)c2)n[nH]1 1823258642 HIFYQOCJBRZRBQ-CTNGQTDRSA-N 456.974 5.146 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1)C(F)(F)F 1823286755 ISCZYEQMIUMYMB-OAQYLSRUSA-N 468.479 5.501 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)[nH]n2)CCC1 1823379208 OCXJSPJTGOKCNQ-QFIPXVFZSA-N 469.545 5.202 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC3Cc4ccccc4C3)n[nH]2)c1Cl 1823555998 ALGBXLBDIGQVTF-HSZRJFAPSA-N 487.991 5.046 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)cc1 1823685043 LFGILGWRWHHYCH-DEOSSOPVSA-N 481.999 5.217 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1823887832 OSIGAGRFYOCUSG-QHCPKHFHSA-N 457.574 5.369 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c(Cl)c1 1824039167 SZPJNPZWOXJDHE-GNKBHMEESA-N 494.010 5.388 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3)CC2)c1 1826369828 GHIYZDSZHABILA-AJTFRIOCSA-N 457.618 5.180 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1 1827411248 BRZHPUMFUXMLHI-FDDCHVKYSA-N 475.614 5.668 30 20 JKED Cc1cc2cccc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)c2[nH]1 1827697940 VGVFKAPQOFXSEA-YWZLYKJASA-N 483.597 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(Br)nc2C)CC1 1827972588 LJHGJWHBMMIOIS-MOPGFXCFSA-N 494.499 5.216 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828094326 KXDCKUOQGPJPES-QHCPKHFHSA-N 467.679 5.830 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1828745153 PCYQAHTUWXJICO-XMMPIXPASA-N 474.992 5.240 30 20 JKED COc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906450 NDNDBBBGLUJTSE-OAQYLSRUSA-N 474.743 5.041 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573463 CPGYCFUOPGIIAA-RUZDIDTESA-N 485.628 5.855 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)c1 1829954913 UAYOYRPULUZNJL-RUZDIDTESA-N 484.625 5.229 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830359007 MNXFVCRCTLWMNU-FNZWTVRRSA-N 493.648 5.040 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830778070 VMAIVDTUILQBLC-CLOONOSVSA-N 479.571 5.447 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2Cc2ccc(F)cc2)CC1 1831861583 UVQULFOWRUFDQY-HHHXNRCGSA-N 462.609 5.155 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c(F)c1F 1832613222 XATDHMFVOQXASP-XTXLJPNXSA-N 486.584 5.007 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)cc1 1832682875 HSZRMCAUABVUIR-MUUNZHRXSA-N 485.628 5.089 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)CC1 1836694855 FMVLNGUKNYAUTF-UHFFFAOYSA-N 493.623 5.201 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)c(Cl)c1 1841568693 LJOFIEQBJHZBST-UHFFFAOYSA-N 489.925 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3ccccc3c(Cl)c1OC)C2 1844356842 WKBXHBSAVWJPEX-UHFFFAOYSA-N 454.998 5.311 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)c2ccccc2c1 1847530841 DHBSABHJIAKFJR-GOTSBHOMSA-N 467.407 5.186 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)c1 8651107 UONMRZAXGJVDTA-UHFFFAOYSA-N 465.598 5.396 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccccc2CC)c1 10174446 ISWBYPVDXBXZDA-UHFFFAOYSA-O 458.434 6.457 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 10830380 PCXXSBFWTZFJAO-UHFFFAOYSA-O 486.060 6.886 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2Cl)cc1 22730376 UDGSDGYEGNNCSE-UHFFFAOYSA-O 473.996 6.860 30 20 JKED CC(C)c1ccccc1-n1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1cccnc1 23421396 BLUUHAMKWQJERZ-UHFFFAOYSA-N 468.586 5.102 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 23603547 BHTAVSGKKHXCPX-UHFFFAOYSA-O 470.618 5.569 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)nc2ccccc2c1=O 24665246 TUOHBMBSRYDBTI-UHFFFAOYSA-N 490.654 5.941 30 20 JKED N#Cc1ccc(NC(=O)CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)cc1Cl 26701909 WMLSCECDXCZWTC-UHFFFAOYSA-N 470.938 5.047 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(CC)cc3)s2)nnc1-c1ccccc1 32316068 IFRWOTGFAKTRIC-UHFFFAOYSA-N 462.604 5.090 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)nc2sccc2c1=O 36849790 UTLRUXNRKJBCNF-UHFFFAOYSA-N 496.683 6.003 30 20 JKED COc1ccc(-c2nc(CSc3nc(C)cc(C(F)(F)F)c3C#N)cs2)c(OC)c1 46568980 NVDFOVSWDYCBEC-UHFFFAOYSA-N 451.495 5.714 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 71944530 ITTJZDUKUJJTFL-UHFFFAOYSA-N 460.965 5.339 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cccc(CSc3ccccn3)c2)n1 109572599 WWAVMPUYCBZBRM-UHFFFAOYSA-N 474.533 5.699 30 20 JKED N#CCCN(C(=O)CCC(=O)NCCCN1c2ccccc2Sc2ccccc21)c1ccccc1 110893255 CPNZWLCHTJKDSM-UHFFFAOYSA-N 484.625 5.523 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 195621597 DSMXOIUELGKVCR-UHFFFAOYSA-N 488.341 6.339 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1 215796759 ACNZIDOCHHUGFX-UHFFFAOYSA-N 495.608 5.617 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1 410385085 VKTZILHQPYORGL-QGZVFWFLSA-N 498.564 5.299 30 20 JKED Cc1nc(SCC(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c(C#N)c(C)c1C 483213324 LWBZMHGSKSJCAE-IBGZPJMESA-N 490.604 5.168 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 487728067 NRYRJDRUVZMLKO-INIZCTEOSA-N 496.354 5.458 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 493079798 MGDNFBOUMCVHAA-UHFFFAOYSA-N 462.512 5.488 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1 498312148 ULPBSHYJORUISP-UHFFFAOYSA-N 484.524 5.209 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Sc4ccccn4)cc3)c2)c1 499415125 QRMUCCVTEBRJNB-UHFFFAOYSA-N 450.523 5.609 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 502040119 KYJYIZPZBBFOQQ-UHFFFAOYSA-N 480.593 5.213 30 20 JKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)Cc1cc(Br)ccc1F 502193255 GQDQBUNRZBFLEQ-UHFFFAOYSA-N 488.426 6.226 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)c2)cc1 509560588 OIXDZNDJUXIAME-DEOSSOPVSA-N 454.555 5.699 30 20 JKED CCN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)[C@H](C)c1ccc(C#N)cc1 509560784 PBIGXFGNALQJLN-KMYAOZERSA-N 496.592 6.617 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Cl 510009188 FNOVJFLQMLJQFO-YKSBVNFPSA-N 472.976 5.878 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2CN2CCOCC2)cc1Cl 510024018 PFVUXSLEUQIKAD-RUZDIDTESA-N 474.992 5.149 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 512533971 KVMAXECRJVNJCM-UHFFFAOYSA-N 489.597 5.329 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1ccccc1C(F)(F)F 516737156 CINLVEMWUXXZJS-UHFFFAOYSA-N 467.447 5.275 30 20 JKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c12 519137901 WQMWTGZAZQNUBF-UHFFFAOYSA-N 458.562 5.244 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 519515689 ROQFBSFLHNWKPI-QWHCGFSZSA-N 453.789 5.903 30 20 JKED COc1ccc(CN2CCC(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 520136149 WIZQISPMNBGDSC-UHFFFAOYSA-N 498.627 5.374 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(-c2ccccc2)cs1 520199585 AIWOTGAWAOAINA-KRWDZBQOSA-N 468.538 5.290 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cs1 520845441 HCFSYXBNBJBUTI-HZPDHXFCSA-N 464.616 5.186 30 20 JKED CCN(CC)C(=O)COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1Cl 521198329 IDHWQRJFZQBXTR-UHFFFAOYSA-N 471.001 5.149 30 20 JKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 521817579 KIZSDQNENCKHIT-JOCHJYFZSA-N 493.582 6.308 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cc1 523633457 RCMZBQJIDCIYFC-INIZCTEOSA-N 463.921 5.171 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524392294 ABFXSZACZQVOQO-INIZCTEOSA-N 479.989 5.868 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2C#N)CC1 550460988 DDJMFQVTTSXKKC-UHFFFAOYSA-N 466.585 5.055 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(Cc2nc(O)c3c(-c4ccccc4Cl)csc3n2)CC1 560668225 IRGIXNFMQIWURA-OAQYLSRUSA-N 476.005 5.100 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc1-c1ccc(F)cc1 588348693 WMIAYKQDXOOMOE-INIZCTEOSA-N 463.559 5.942 30 20 JKED C=C(C)COc1cccc(NC(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 589739518 RECRJGQIPGQAIF-OAQYLSRUSA-N 461.484 5.146 30 20 JKED CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 597652389 ARERZJAPKZOUAE-UHFFFAOYSA-N 472.614 5.033 30 20 JKED CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603765788 ZBZJAFLMDGLWAO-QWRLVCTISA-N 472.589 5.041 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 604068245 MNBOSFFLPACBPE-RUZDIDTESA-N 466.516 5.170 30 20 JKED CC(C)(C)CC(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089604 HNCLOILUCVSNKZ-UHFFFAOYSA-N 454.958 5.116 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(CC(=O)N4CCCC4)CC3)cc2Cl)cc1 604089898 RGGZXWICMRVXJN-UHFFFAOYSA-N 466.969 5.260 30 20 JKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604522911 VBMNIEFJCSURAU-YWEHKCAJSA-N 469.585 5.963 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1occc1COc1cccc(C#N)c1 608804111 LPQAYUJCIFVJDR-UHFFFAOYSA-N 466.497 5.935 30 20 JKED COc1ccc(COCc2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2)cc1 608806483 LLMVSYQZNMSUNO-UHFFFAOYSA-N 468.509 5.708 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)CCc2ncc(-c3ccccc3Br)o2)c1 609066504 DAUXEHGKLKWVEO-UHFFFAOYSA-N 462.250 5.148 30 20 JKED Cc1cc(C)cc(N2CC[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2=O)c1 609072192 CENVJYKTNUYKMI-VWLOTQADSA-N 453.542 5.054 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)ccc1OC(F)F 609387100 LNCCXADSJRJARJ-CYBMUJFWSA-N 456.967 6.065 30 20 JKED Cc1cccc2sc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c(Cl)c12 613289913 RMGFCRWCMOTGFO-LBPRGKRZSA-N 453.976 5.942 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc12 613290588 HRGAENOIPRTPKD-IBGZPJMESA-N 456.958 6.146 30 20 JKED CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 613292827 YSKDSXUWWXCJON-KRWDZBQOSA-N 474.314 5.357 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346582 LZABRMKKYNGKOP-SFHVURJKSA-N 486.405 6.642 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 613907816 MCGRPWCGXDYTQT-QGZVFWFLSA-N 480.565 5.240 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc(OC)c1OC 615190413 XQZQTLBADVTIEA-UHFFFAOYSA-N 456.970 5.401 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2c(F)cccc2F)cs1 620304274 SVCXZIBAEVDNOT-INIZCTEOSA-N 453.495 5.614 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc2cc(C(F)(F)F)ccc2s1 642282254 XVOLXZVVLCACFE-KRWDZBQOSA-N 495.438 5.194 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccccc2Cl)cn1 726109788 CYESPLZCUACJCC-OAQYLSRUSA-N 482.009 5.025 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 726393891 RTQLYNRICKWXRA-MHECFPHRSA-N 486.597 5.097 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)S/C2=N\[C@H](C)c2cccs2)cc1 726414244 AHRDTSPURWBTRD-VFYDMCDDSA-N 493.654 5.024 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414402 AQLPEGUPTFXCIF-CYFREDJKSA-N 497.661 5.333 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc3ccccc3o2)cc1 726570964 OQSUUMXFWCTSGN-UHFFFAOYSA-O 489.020 6.866 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1 727936286 JWXDQSQJCAYHIW-UHFFFAOYSA-N 488.931 5.798 30 20 JKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 728063210 ZNUSDMICXKLARV-WOJBJXKFSA-N 473.573 5.141 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(CC(F)(F)F)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728698326 GQTIXQAFBKZQMW-XSRFIEKGSA-N 495.501 5.182 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1=S 728909172 LGBAULKUPYXOHQ-UHFFFAOYSA-N 476.581 5.293 30 20 JKED C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)C(=O)N(C)CCC#N 728982112 REIRVWMIOXVIBN-GROYHEBESA-N 459.571 5.091 30 20 JKED N#C[C@H](C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1 729188771 LTXHLHBMGAZIFJ-KDOFPFPSSA-N 489.956 5.133 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 730536125 MEOWZEWLAKWCHQ-JOCHJYFZSA-N 471.598 5.138 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cocn2)cc1 730715091 BIFWOTXXRURKGD-QFIPXVFZSA-N 480.565 5.317 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1 731066147 KGFGOOGWWHWQHZ-INIZCTEOSA-N 479.583 5.190 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccc3ccccc3n2)C1=O)Nc1cccc(O)c1 731306254 LNODRKOLOFDVLH-VWLOTQADSA-N 496.592 5.143 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)c(Cl)c1 731307410 HLZZUPQBEAOJSF-OAQYLSRUSA-N 498.967 5.049 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731311442 BNLYFANNZAVUOR-JWQCQUIFSA-N 496.592 5.220 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)s2)cc1F 731312055 JITBOYCOIZATKQ-OAQYLSRUSA-N 499.589 5.070 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc3cccnc23)c1 744996609 DFKGGTFBPSCWLH-HSZRJFAPSA-N 472.614 5.159 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccc(F)cc1F 746696796 VCQQMYONCIQFKT-HSZRJFAPSA-N 490.535 5.607 30 20 JKED CCOc1cc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 750917349 SLHQEXMXXNOPTE-PWDRBQJJSA-N 475.557 5.468 30 20 JKED Cc1noc2nc(C(C)C)cc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)c12 813374953 METTVSQSEITTNB-AWEZNQCLSA-N 466.563 5.041 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1cccnc1 837285765 QVHAWKHRBHGJMJ-GCJKJVERSA-N 476.577 5.559 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccc(F)cc1 838486674 QYRNEGPTFBWCPX-QHCPKHFHSA-N 495.551 5.176 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 914543171 MCEWSEDZAMGHIU-NBGIEHNGSA-N 486.641 5.604 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)Cc2cccs2)c1 914690627 ASPADIOGXYHYOJ-JTSKRJEESA-N 479.627 5.348 30 20 JKED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)c1ccc(SC2CCCC2)cc1 914703479 SAVSMIUZBPHZDT-DVQDXYAYSA-N 465.040 5.135 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1ccc(OCc2ccccc2C#N)cc1 915512207 PAABHSPBFICURO-IBGZPJMESA-N 456.542 5.446 30 20 JKED CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 915722850 MXSFKFBJRKVXIK-AHWVRZQESA-N 489.019 5.133 30 20 JKED COc1cc(C=NNc2ccc(C#N)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 915963149 UDJVAOWQDINKJS-UHFFFAOYSA-N 468.435 5.049 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(C2CC2)C1=O 916206165 XEOCECCLQVFVMM-HXUWFJFHSA-N 457.983 5.088 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccco3)C2=O)c1 916211493 OLOQKYWQNKOUHY-NRFANRHFSA-N 451.523 5.196 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(SC(F)F)cc1 916214111 JEONPDJHVQJLNE-GOSISDBHSA-N 477.558 5.156 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CC3)C2=O)cc1 916214202 KPCQTCQZDXRXHS-LJQANCHMSA-N 489.569 5.327 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 916892016 XCNRSUWBLJJNFJ-OAQYLSRUSA-N 482.323 5.215 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916908126 LOMDLYYWFPUTPU-QFIPXVFZSA-N 467.550 5.801 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccc(Br)o1)C(=O)Nc1ccccc1Oc1ccccc1 916910990 UNBFWVJOOLXGAW-JICACKBISA-N 451.276 5.195 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)nc(O)c2c1C 916915754 ILLJCTKEPMGMRS-QAPCUYQASA-N 490.610 5.136 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916932033 PFLGIEBZPWZAEV-MRXNPFEDSA-N 462.333 5.230 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(F)c(Cl)c4)cc3)o2)c1 916939003 NUQGSUFSGRNCBR-IBGZPJMESA-N 474.879 5.466 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 916953953 FOGBPGMHCXYVEN-LGIRGXTLSA-N 466.537 5.615 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916971875 FOSNNEKKKOXZQW-LJQANCHMSA-N 459.600 5.230 30 20 JKED Cc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1F 916976556 SHMQAVXXCJVECL-QAPCUYQASA-N 453.926 5.140 30 20 JKED COc1ccc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc1OCc1ccccc1 917517186 BCAABPATZNISCF-RIYZIHGNSA-N 454.526 5.483 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2C)n1 917664355 GXGJZNNYHQWOTH-RUZDIDTESA-N 495.608 5.407 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(Cc2cccc(C)n2)C1=O 917674572 QNWFRWZNGVCCFS-DEOSSOPVSA-N 488.613 5.176 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccc(C#N)cc3)C2=O)c1 917683100 ROSPHNUZTAYBKR-XMMPIXPASA-N 484.581 5.036 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 918113638 UFAZJYRWPMISLS-AREMUKBSSA-N 475.504 5.761 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1 918449367 MSNQAPFAIKEYMD-SXOMAYOGSA-N 479.967 5.840 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1 919667420 VNJCEGLVWNWSNQ-SFHVURJKSA-N 495.875 5.019 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 920110632 SSICWCPGRUSJID-AWEZNQCLSA-N 467.234 5.159 30 20 JKED Cc1ccc(C(=O)N[C@H](C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)C(C)C)cc1 920806778 POYDDICLEPNJBA-KKSFZXQISA-N 453.514 5.028 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2c(F)cccc2F)cs1 920806858 ROQMMRWVQSOFQD-LSDHHAIUSA-N 484.503 5.348 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 920870598 NOOHVFRNOPNMSU-JTSKRJEESA-N 471.598 5.192 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(O)c3ccc(Cl)cc3n2)n(C2CCCC2)c1C 1652665029 VQPOFEBLNPBKMX-UHFFFAOYSA-N 455.971 5.125 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4nccc5occc45)cc3)CCC2)c1Cl 1788342135 MQFLWZMROYRSTE-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cn(-c4ccccc4)c4ncccc34)cc2)CCC1 1788396443 RWXBQGGISWZFHX-SFHVURJKSA-N 470.598 5.092 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CN(C(=O)OC(C)(C)C)C4CCCC4)cc3)CCC2)C1 1788525185 WYLITKOOTOFPQY-UHFFFAOYSA-N 481.637 5.266 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc(C(F)(F)F)ccn3)CCC2)cc1 1788650768 PYFIVYFGLYRGDD-CMDGGOBGSA-N 499.514 5.349 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4sccc4Cl)CCC3)cc2)c1 1790074375 QWMAZSVQSRKUOZ-UHFFFAOYSA-N 465.962 5.343 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccccc4)CCC3)cc2)c1 1790076020 YJFFCIRWSSSTPR-FTJBHMTQSA-N 465.553 5.118 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCCn3c(O)nc4ccccc43)cc2)CCC1 1790364466 CXHFOVRCPCQZEF-UHFFFAOYSA-N 486.616 5.425 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1 1790520099 VUOQTNHZQCAEMF-POICXBNUSA-N 493.604 5.286 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)coc3C)CCC2)cc1 1790568679 XYYOUOFZNHHTKU-OAHLLOKOSA-N 465.472 5.155 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)c1 1790761979 LWDOBKAJOJIJSF-UHFFFAOYSA-N 455.480 5.271 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1791254181 LPBHSPGMZLMINY-QUCCMNQESA-N 457.615 5.026 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)CCC2)cc1 1791585562 AGUPROVJAYEVSW-UHFFFAOYSA-N 468.479 5.419 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ccc(O)cc1 1797878177 JEDFHIOIWRABNK-NCVDBULUSA-N 476.661 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1798334906 PWWOISAXQCSLQG-HYOIWIKGSA-N 495.664 5.544 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@@H]1CCCCC1(F)F 1800505245 WNVIQELTKVYHFO-QYOOZWMWSA-N 476.567 5.164 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1801638906 CDQRFKWWAATJAC-IODBPXAYSA-N 453.586 5.366 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1801696646 QHVPKCMHCCRXNB-MUJYYYPQSA-N 475.363 5.244 30 20 JKED Cc1ccc(CSCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1 1802132245 DFVFIJVTCYQVFV-JTMVAAEOSA-N 475.658 5.197 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1c1cccnc1 1802503268 NCXYGCIPGMOZLI-OFVILXPXSA-N 458.606 5.183 30 20 JKED N#CC1(C(=O)N2CCC3(CCCN(C(=O)C4CCC(c5ccc(Cl)cc5)CC4)C3)CC2)CC1 1805625989 BPQDDHRXWXXSRF-UHFFFAOYSA-N 468.041 5.149 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1809205077 CAGYCSUAAGUJJH-NLFFAJNJSA-N 491.035 5.595 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3occc3c2)[C@H]1c1cccnc1 1809346723 UBPZZYUIRRVTHV-SHQCIBLASA-N 487.676 5.199 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1810183120 RXANYHFBEHVPBE-WHSBFGAESA-N 479.596 5.096 30 20 JKED N#CCc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cccnc4-c4cccc(F)c4)C3)CC2)cc1 1810383186 PHXMZYNXDDSEQW-UHFFFAOYSA-N 496.586 5.112 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810491659 GEOMOHVOZOPBLY-OUOHIEPJSA-N 499.577 5.812 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)s2)[C@H]1c1cccnc1 1810494783 HCDWMBHPRNHYGM-QPPBQGQZSA-N 453.652 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3scnc3c2)[C@H]1c1cccnc1 1810498727 PITNBSFIDRMUMG-OFNKIYASSA-N 462.619 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810603208 DZVRBZTVQSHSGD-JTSKRJEESA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810719301 RDOWSJIUDYLORO-UHSQPCAPSA-N 495.623 5.962 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811417907 KQIHDNLCCBFPHE-CYFREDJKSA-N 493.394 5.202 30 20 JKED Cc1ccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(CC#N)cc4)[C@H]3c3cccnc3)sc2c1 1812221656 RZXHOZXRRXMJMV-IGKIAQTJSA-N 494.620 5.304 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c1 1814736459 CKELQMGWEUFOFG-LOPAWYLXSA-N 492.583 5.101 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc3ccccc3c2)n[nH]1 1816827921 XJXVMZPDCJTJPR-NRFANRHFSA-N 452.505 5.009 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2F)[nH]n1 1819386890 OFXGKBLIWCVYJM-FQEVSTJZSA-N 472.612 5.045 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3Cl)[nH]n2)c1Cl 1820220284 RQWWIDWPJDKSDJ-IBGZPJMESA-N 468.344 5.208 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)Oc2ccc3ccccc3c2)n[nH]1 1820712420 SYQPMTKAOAZOEF-CYFREDJKSA-N 490.604 5.004 30 20 JKED Cc1cc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c(C)c1 1821183235 SFSHQFHRFQCCCP-QHCPKHFHSA-N 455.562 5.021 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc3ccccc3o2)n[nH]1)c1ccccc1 1821404951 KRAJJIWSCXFBGX-NZQKXSOJSA-N 481.556 5.054 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4ccoc4c3)n[nH]2)c(Cl)c1 1821456993 KKTLFUWBINVXCV-OAQYLSRUSA-N 473.920 5.301 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1821929688 YHOPYBOWVZMGIG-FZKQIMNGSA-N 452.452 5.086 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1)C(F)(F)F 1821992361 ONIPGQXPCFWQKX-HNNXBMFYSA-N 466.460 5.188 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC#N)[nH]n1)c1ccc(OCc2ccccc2)cc1 1822253384 HGIBZMKVPFDYAE-LEAFIULHSA-N 499.615 5.334 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)[nH]n1 1822391282 DULZHJIOFLPCGL-SFHVURJKSA-N 499.434 5.496 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1822394005 LSWAMEBBHILJBI-QFIPXVFZSA-N 454.530 5.419 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OCc3ccccc3)c(OC)cc2C)[nH]n1 1822401539 USKSCUVBCBXWDG-HSZRJFAPSA-N 488.588 5.188 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1)c1cccs1 1823131682 ULYJJEDBGRBHLU-JNCYCUAHSA-N 474.586 5.094 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823215723 BPOODAOCQCIGFY-SBUREZEXSA-N 459.525 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3OC(F)F)n[nH]2)c1 1823265867 KYVIICUWIYOEOV-HRAATJIYSA-N 493.514 5.258 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1 1823898265 DHDJBTQPHHSESG-XMMPIXPASA-N 467.972 5.206 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1823947925 OOPGHJZPHHIDCQ-SANMLTNESA-N 494.035 5.223 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1823948848 WVPIVIFPWTZYCT-LXFBAYGMSA-N 487.644 5.325 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1824054480 VWDKFYCDZGMOAD-RUZDIDTESA-N 497.561 5.443 30 20 JKED CC[C@H](C)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1824348950 UKYSYFYXWWTZAT-GBXCKJPGSA-N 453.627 5.015 30 20 JKED C=C(C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1)C(F)(F)F 1824420949 BUPFOVQXHUAOIX-CYBMUJFWSA-N 485.487 5.387 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)cn2)CC1)c1ccccc1 1825212953 PMFGQXOFLIFVAO-URLMMPGGSA-N 485.672 5.140 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3nc(Cl)ccc3F)CC2)c1 1825365426 KTTZYPMRLJLXRN-JTSKRJEESA-N 482.987 5.048 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1828267911 BETDTBFNHCYNML-OXJNMPFZSA-N 476.543 5.027 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)C3)CC1 1828825432 VXYIDRAZXOBXOG-ILBGXUMGSA-N 464.650 5.402 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1828907605 DVRDMZSMKIMZOT-NVQXNPDNSA-N 478.700 5.403 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNc2ccc(F)cc2)CC1)c1ccccc1 1829033487 VXLSCMOKVLAWCQ-VSGBNLITSA-N 489.635 5.055 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3cn2)CC1)c1ccccc1 1829035263 NZRCKXZXZUMHML-XNMGPUDCSA-N 483.612 5.258 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1)c1ccccc1 1829035976 YCZOHULHWNTAOI-XZWHSSHBSA-N 499.699 5.448 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829418909 FKJSLFYWTAILIQ-HSZRJFAPSA-N 481.662 5.026 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1Cl 1829899599 QANXDZFHDLBGNQ-NRFANRHFSA-N 488.390 5.551 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830275169 UTQBGEYYYIAKIF-WIOPSUGQSA-N 480.052 5.274 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1830710476 VORZBGZEMQDAGY-VQTJNVASSA-N 496.599 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721907 SRVIUSGMJRKOHW-ZJSXRUAMSA-N 454.014 5.213 30 20 JKED Cc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830757020 XYISOQCJGFPMNL-DEOSSOPVSA-N 483.534 5.433 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1830991634 DPAGKWBZGBIIEW-VWLOTQADSA-N 489.019 5.169 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)ccc2[nH]1 1831036276 VWPZFVOZLZKSRG-MHZLTWQESA-N 468.601 5.090 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060931 WSHRFMLCTZHWFY-CJFMBICVSA-N 489.616 5.620 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1831371046 QNLXSQBTHKYLKZ-SBUREZEXSA-N 486.454 5.376 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1831446342 ZPRASWJRVKERJN-NRFANRHFSA-N 471.548 5.095 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1831506575 JEMMMTIPTMQFQL-JIPXPUAJSA-N 475.608 5.053 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)CC1 1832169670 BWFDCTPZAXTLIR-GYBSMXBJSA-N 499.540 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cccs3)CC2)c1 1832631147 RVIIJOVFHZJABT-CLHBGRGCSA-N 461.631 5.322 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)c3ccc(O)cc3)CC2)c1 1832633693 MTDIEIKOOMGGKU-GNMOFYLKSA-N 473.617 5.056 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3F)CC2)c1 1832633937 PDKPYOYNJWWROR-CJAUYULYSA-N 465.544 5.139 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4F)CC3)CC2)c1 1832635612 LJVZQAWCICQBSL-IDISGSTGSA-N 487.619 5.418 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1835815272 BYSIDCLFPLIKRP-UHFFFAOYSA-N 499.099 5.307 30 20 JKED Cc1cc2cc(C(=O)N3CCC(OC4CCN(C(=O)c5cccc([C@@H](C)C#N)c5)CC4)CC3)ccc2[nH]1 1838717412 ATBLPEBHCFSLHS-FQEVSTJZSA-N 498.627 5.029 30 20 JKED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CCCCCC(C)(C)C)C1)NC(=O)OC(C)(C)C 1846087626 UNVYTONMCJTZTN-NRFANRHFSA-N 477.690 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccccc4)c(F)c2)C3)c1 1846828798 RONGXKYGFDOCFY-FQEVSTJZSA-N 467.544 5.251 30 20 JKED C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2)C(=O)NC1(C#N)CCCCC1 8629246 TUAFYFNDFKTPAX-OXMAITBSSA-N 495.579 5.315 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)CCC2 10170776 DBOJPZLVGDDYRT-UHFFFAOYSA-O 463.626 6.105 30 20 JKED C=CCn1c(SC[C@H](O)COCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 15242410 AVPWFFJEVKWKBH-GOSISDBHSA-N 450.391 5.108 30 20 JKED COCCCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1Cl 15824856 SYNNKSCCOUTDBV-CQSZACIVSA-N 490.416 5.279 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1OC 16863528 UHGNWLZBUHKKRO-ZDUSSCGKSA-N 496.942 5.931 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)cc(F)c2)c1 18254034 HODHIFSBCAVHDB-UHFFFAOYSA-N 462.905 5.252 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2C)nc2sc3c(c2c1=O)CCCC3 18352243 UGKIFUARJCNLMZ-UHFFFAOYSA-N 494.686 5.162 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1 21488764 QSYAWQAAIYXUHU-UHFFFAOYSA-N 494.690 5.261 30 20 JKED O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCC#Cc1cccc(C(F)(F)F)c1 21550482 FLQIVZXDXCVNTE-UHFFFAOYSA-N 452.807 5.033 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1cccc(Br)c1 21668282 XWICULNNHHZAHE-AWEZNQCLSA-N 491.386 5.064 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccco2)c1 22069930 OGBKVZPEYFRYAH-HXUWFJFHSA-N 486.597 5.082 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(C)c2)cc1 22801965 HVYDSDPLXQXMNU-UHFFFAOYSA-O 461.651 5.360 30 20 JKED CCCN/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccc(Cc2ccccc2)cc1 22804823 URUSUOSBILUDNI-UHFFFAOYSA-O 468.440 5.266 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(COc3ccccc3Cl)n2C)c1 23530555 LIVWWZWJAXXUPJ-SFHVURJKSA-N 484.025 5.092 30 20 JKED COc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC 25439922 CCQAWAYLKYZKKE-UHFFFAOYSA-N 489.597 5.488 30 20 JKED N#CCCN(CCC#N)Cn1nc(-c2ccc(F)cc2)n(-c2ccc(SC(F)F)cc2)c1=S 26156025 ZDVHTXWAWVPVNA-UHFFFAOYSA-N 488.564 5.611 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 33245382 QUBMGBGSFCSOKB-UHFFFAOYSA-N 458.568 5.533 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc2sccc2c1=O 36799807 QPCUJFIDAFLBFW-UHFFFAOYSA-N 459.902 5.047 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2ccccn2)c(C)c1 108248755 AYOHNZZJGULCIK-OAQYLSRUSA-N 482.613 5.374 30 20 JKED CCN(C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)[C@H](C)c1ccc(C#N)cc1 108259196 QOAHPKQLTOCHBJ-MRXNPFEDSA-N 451.979 6.057 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1[C@H]1COc2ccccc2O1 251309058 DHBYUSNUIXHBHD-YZZKKUAISA-N 478.618 5.609 30 20 JKED COc1cc(CNC(=O)c2occc2COc2cccc(C#N)c2)ccc1OCc1ccccc1 303142507 MJQQODOQLDOZTB-UHFFFAOYSA-N 468.509 5.248 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1c(C)nn(-c2ccccc2)c1C 409470591 QYVJUMHHQFCLSA-UHFFFAOYSA-N 471.374 5.289 30 20 JKED C=CCN(C(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1nc(C(=O)OCC)cs1 409818944 YDKQDYYCCZRPED-UHFFFAOYSA-N 477.995 5.150 30 20 JKED N#Cc1c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)sc2c1-c1ccccc1CC2 409837743 GTAGXCMGRBOCOZ-UHFFFAOYSA-N 466.444 5.706 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 485819169 AGJOBEGNICGLCV-ZHRRBRCNSA-N 499.920 6.172 30 20 JKED Cc1nc(C(C)(C)C)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 488920836 YCKHTKBNFNOCQZ-UHFFFAOYSA-N 464.538 5.939 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)c1 490029324 AXUMCZCIQPPEEU-UHFFFAOYSA-N 468.582 5.146 30 20 JKED C=CCN(C(=O)c1cc(Cl)cc(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491027537 KUDGNBHPCRESDT-UHFFFAOYSA-N 467.399 5.353 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(CN3CCCCC3=O)c2)nnc1-c1ccc(Cl)cc1 497318716 DUGPXIJXKINJER-UHFFFAOYSA-N 496.036 5.028 30 20 JKED COc1ccc(-c2csc3ncnc(N4CCN(c5c(C#N)cnc6ccccc56)CC4)c23)cc1 500556000 PYVOHSKPKGWNAZ-UHFFFAOYSA-N 478.581 5.113 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cc(F)ccc2OC)nnc1-c1ccc(Cl)cc1Cl 501681051 IDXTZMMVAYOCMP-ZDUSSCGKSA-N 495.407 5.555 30 20 JKED CCC[C@H](CNC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21)c1ccc(Cl)cc1Cl 502843532 UBZONNLTUNQYAR-CQSZACIVSA-N 476.791 5.533 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)n1 503224087 HOWOEBRWSOOXKO-CYBMUJFWSA-N 490.532 5.714 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 512704590 RAGVSXIPONZFRE-UHFFFAOYSA-N 463.503 5.638 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 518137564 KGTJWGBHRQOLBO-INIZCTEOSA-N 494.414 6.205 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 518683053 GXXGXCGZBPPCCF-BEFAXECRSA-N 460.397 5.306 30 20 JKED N#Cc1c(CCCNC(=O)Nc2cccc(COC3CCCCC3)c2)nn(-c2ccc(F)cc2)c1N 520049962 ZTBPMAZFZMPPJH-UHFFFAOYSA-N 490.583 5.069 30 20 JKED Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1F 520938365 WDZMIGBWTNKPCG-UHFFFAOYSA-N 486.547 5.358 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)c2)cc1 521494894 DEBNWYYFFUZHQM-UHFFFAOYSA-N 467.382 5.341 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 521696103 FNUCFJRAYGZZIT-UHFFFAOYSA-N 466.463 5.171 30 20 JKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 523271575 CNWZYUNGCPZVFN-JOCHJYFZSA-N 476.045 6.069 30 20 JKED C=CCN(Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1)Cc1ccc(Cl)s1 560702024 NLPGLDIXEPKPJZ-UHFFFAOYSA-N 485.984 6.750 30 20 JKED C=CCc1ccc(OC[C@H](O)CSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)c(OC)c1 588765633 BJLPQOKDCGZWQF-SFHVURJKSA-N 498.601 5.472 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590614001 NEZNECIRRFNGHS-UHFFFAOYSA-N 474.542 5.834 30 20 JKED CN(Cc1nccn1CC(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 591502464 GNLMNWGRZORAAH-UHFFFAOYSA-N 490.379 6.060 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 603263730 SLQMSVQTZWCFNX-UHFFFAOYSA-N 483.515 5.580 30 20 JKED CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c12 603728817 NTYOOIGQQIAYDJ-UHFFFAOYSA-N 476.587 5.491 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1Cl 603759160 VLFMHZUZDKPCCJ-HXUWFJFHSA-N 478.936 5.915 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H]1c1ccccc1OC 603764431 GCIYFEKDABGOEV-YWEHKCAJSA-N 498.583 5.473 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cc2Cl)cc1 604261178 QNRDGBWXSRMRLV-UHFFFAOYSA-N 473.794 6.122 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C 604362135 LVONLUVOZGOEEI-UHFFFAOYSA-N 466.545 5.520 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 608796789 AUUWUGLODJAYKE-REWPJTCUSA-N 479.458 5.289 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(CN2CCCC2)cc1 609078949 UNWNWMOSIWEGJK-UHFFFAOYSA-N 454.574 5.363 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1CN(C)C(C)C 609079259 SBMIHLBHHPSDEB-UHFFFAOYSA-N 456.590 5.608 30 20 JKED Cc1nc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nn1-c1c(Cl)cccc1Cl 609116164 FCTALYZQABCWIN-UHFFFAOYSA-N 465.300 5.194 30 20 JKED CN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1F 609216584 QHQRNRVHDAHCHH-UHFFFAOYSA-N 477.952 5.354 30 20 JKED CC(C)CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2ccccc2c1=O 609369955 URGLLONBLOVXJH-GOSISDBHSA-N 480.659 5.425 30 20 JKED Cc1csc(Sc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2[N+](=O)[O-])n1 609377087 OCKHRGQRHIALBL-ZDUSSCGKSA-N 470.601 6.015 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 609377428 VAAKQAWUECEGRC-IBGZPJMESA-N 498.608 6.061 30 20 JKED CC(C)(C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)(F)F 613319647 KPIPBWHTXQPDTM-ZDUSSCGKSA-N 452.889 5.924 30 20 JKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 613403541 HBEXAFLZWPXYSD-SFHVURJKSA-N 494.295 5.915 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nc2sccc2c1=O 613907425 MBOUZLSURJWYMM-QGZVFWFLSA-N 480.442 5.407 30 20 JKED N#CC(C(=O)c1c(Cl)cccc1Cl)=c1sc(=Cc2csc3ccccc23)c(=O)n1C1CC1 614972588 DWPBMSKHGJAFPD-UHFFFAOYSA-N 497.428 5.152 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(F)c(OC)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 615126210 QSIMEEXUAGJNPC-UHFFFAOYSA-N 485.343 5.456 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 619945008 WQWYDBAVHOPUOH-FICVDOATSA-N 466.401 5.029 30 20 JKED O=C(NCc1ccc(OCc2cccc(F)c2)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642767434 JPZRQZWTYHGZRD-IAGOWNOFSA-N 492.435 6.113 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 726322448 UYJZGOWCKWKGHE-RRWXTXHCSA-N 456.011 5.505 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(OC)c(F)c1 726413106 WCGPYTHIHFYKTO-KRWDZBQOSA-N 483.537 5.129 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726415604 MHRJKJIQSIEDIE-HSZRJFAPSA-N 483.634 5.087 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2C)cc1 726571335 TWZQNBUYHJNPCF-UHFFFAOYSA-O 477.053 7.035 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 726754388 FGRHIOLTGKSDBS-UHFFFAOYSA-N 465.340 5.716 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(F)(F)F)cc1Cl 726889975 ITDUXHXXWJUJMC-MRXNPFEDSA-N 489.878 5.010 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1cccnc1 728424691 GRZRJXHKCUEJSC-MHECFPHRSA-N 483.597 5.237 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)c2ccccc2)c(Cl)c1 728698375 IGJIHAMCUPFLLA-SYVPYPDPSA-N 458.945 6.153 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 728836257 YBWRWBZKUDFLKI-UHFFFAOYSA-N 492.604 5.454 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(N(C)C)cc2)c1 728840613 JYVBKZSIFBUGNM-UHFFFAOYSA-N 484.021 5.064 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 729035849 JCBZDAPNPHZYKX-KDYSTLNUSA-N 454.574 5.261 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\Cc3c(C)cccc3C2=O)cc1OC 729151372 RUOLRCFJGBICNR-WOJGMQOQSA-N 477.944 5.506 30 20 JKED CN(C[C@@H]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 729389200 XHSVGZAKECRXQQ-NRFANRHFSA-N 465.619 5.180 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 729634838 VCHWKKLJJRTHAX-OAQYLSRUSA-N 482.968 5.343 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c1 730445038 SPSUPZKMYAUHKD-HSZRJFAPSA-N 494.592 5.250 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(C3CCC3)C2=O)cc1OC 730462161 XDPKTVGNUAPZRT-DEOSSOPVSA-N 489.597 5.370 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2cc(Cl)ccc2s1 730689626 HZXHLKKJBTZBKJ-GFCCVEGCSA-N 465.909 6.387 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)cc1F 730718618 MKTSFKOUPJUUIC-HSZRJFAPSA-N 488.544 5.436 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1[C@@H](C)c1ccccc1 731068523 AJPLBVGPDYWQFY-ICSRJNTNSA-N 475.614 5.762 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCSc2ccc(Br)cc2)cc1Cl 731136412 QIBQFGMCDGTSPS-MRXNPFEDSA-N 481.799 5.331 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1 731166761 YMLHHGQEPNILIG-MHZLTWQESA-N 466.562 5.568 30 20 JKED N#C[C@H](NC(=O)c1cc(Cl)ccc1I)c1cccc(Cl)c1Cl 731195277 DJLUYCQIKYKPME-ZDUSSCGKSA-N 465.505 5.246 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)c(Cl)c2)n1 731306874 DRSYMIJRZQZQAI-OAQYLSRUSA-N 498.967 5.049 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(CC2CCC2)C1=O)Nc1cccc(O)c1 731309386 RYZJTKLTXDRFCP-IBGZPJMESA-N 493.507 5.051 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731311368 ALERRSIPKQQGFH-RSXGOPAZSA-N 498.608 5.621 30 20 JKED C[C@@H](CC#N)Sc1ccccc1N=Cc1cc(Br)cc(Br)c1O 731318260 HNXCRPZODUGTEC-NSHDSACASA-N 454.187 6.062 30 20 JKED CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1F 731408012 ADXQMTKYOOUHIE-JOCHJYFZSA-N 492.982 5.236 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc([C@H](C)N(C)C)n(-c2ccc(Cl)cc2)c1=S 745162742 UULDBRYDHPUNGX-KRWDZBQOSA-N 487.029 5.233 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 745313317 LHZXEACOPWVUQQ-QRWLVFNGSA-N 487.408 6.282 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cc(Cl)cc(Cl)c1 745990419 DLGBZHLHPKPUJF-SFHVURJKSA-N 466.390 5.372 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cscn3)C2=O)cc1 747598327 ATRNTIDJKQEKAA-QFIPXVFZSA-N 492.626 5.123 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)c1 747599966 LZMMAMYWRREPNI-HXUWFJFHSA-N 486.569 5.199 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)c(C)c2)n1 748037007 VMUISHQAJVAYAK-JOCHJYFZSA-N 492.576 5.007 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 748765805 KACVCSWLQRVFPV-UHFFFAOYSA-N 465.619 5.227 30 20 JKED N#C[C@H](Cc1ccccc1)OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl 750058890 QSGYVKVYQCEKQW-KRWDZBQOSA-N 493.343 5.225 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1 750394370 GGZYLWNVMQJNGJ-GHTZIAJQSA-N 487.654 6.317 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 837286241 UZJGLEFEBQJZIY-DENIHFKCSA-N 458.587 5.420 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 837324894 CMIAORMAZOCDHA-VGOFRKELSA-N 479.005 5.765 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2cccs2)C1=O)Nc1ccc(F)cc1F 837541899 HGEKTSOCHKVVSV-FQEVSTJZSA-N 471.554 5.229 30 20 JKED CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)C2)C1 904503560 CDLCNIFHWZJTNL-WYVJCVMXSA-N 491.523 5.317 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(OC)c1 914544523 YSGOEWMODBUIHZ-DEOSSOPVSA-N 489.597 5.002 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CC2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 915116821 PXPYDBQVZSYUII-LJQANCHMSA-N 490.944 5.148 30 20 JKED CN(C)S(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 916152879 VZNPZFPUYJFTPJ-QPEQYQDCSA-N 486.933 5.187 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(Cl)cc1 916212595 YXJRXKJIDOYIPX-INIZCTEOSA-N 486.808 5.254 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1Cl 916213464 DHRKJKIAXIVJPW-LJQANCHMSA-N 480.417 5.217 30 20 JKED N#C[C@@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nc(O)c2c3c(sc2n1)CCCC3 916653622 PZDBKEGWQRIAPT-SFHVURJKSA-N 473.554 5.156 30 20 JKED CC(=O)C1=C(c2ccc(Br)cc2)N(CCCCCC(=O)O)C(=O)N[C@@H]1c1ccsc1 916724441 WNZZXHAGXJMVLW-HXUWFJFHSA-N 491.407 5.222 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916882289 ACBLNTVHLILJII-LJQANCHMSA-N 466.925 5.208 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 916883545 MBVHIVMBGFMIQP-IBGZPJMESA-N 497.780 5.128 30 20 JKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906662 UNZSIGLJPBAAIG-OXQOHEQNSA-N 461.499 5.215 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916915708 HSIXWFLOTPYRIJ-QHCPKHFHSA-N 457.493 5.049 30 20 JKED N#C[C@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 916927784 NTBSTFVJXOSJGC-LLVKDONJSA-N 469.300 5.005 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)sc2C)cc1 916928691 RDZPDJLVZSCZJO-QGZVFWFLSA-N 459.354 6.000 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)c1 917668506 ACJNOYXGCNONRA-HSZRJFAPSA-N 454.555 5.027 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)c1C 917670461 WVQOSLVANOPUAQ-VWLOTQADSA-N 490.673 5.138 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2csc3ccccc23)cc1 917684772 KQDNVOFIVAMHOC-JOCHJYFZSA-N 479.627 5.100 30 20 JKED CCOc1cccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3ccccc3c2)c1 917698539 RJCGOJUQJYUJQH-DEOSSOPVSA-N 473.598 5.039 30 20 JKED N#C[C@@H](C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)c1nc2ccccc2o1 920116053 YNXIXLBEKFSBFL-HNNXBMFYSA-N 461.308 6.028 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 920139234 PCIBUBUPJICADL-LJQANCHMSA-N 478.961 5.721 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)N=C1C 920396147 URHGHWZODOYTOQ-UHFFFAOYSA-O 488.677 6.078 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 920867896 WVSVIYBCGXOZTF-LIRRHRJNSA-N 497.514 5.087 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 920871249 WFWHKIZBPGKDFY-MGPUTAFESA-N 493.551 5.257 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(-n3ccnc3)cc2)C1=O)Nc1ccccc1 921140343 NVXXERVLKFOAHN-DEOSSOPVSA-N 481.581 5.033 30 20 JKED C[C@@H](OC(=O)c1occc1CSc1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 927812301 MJBBULYKTLCSBP-QGZVFWFLSA-N 452.507 5.203 30 20 JKED C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1351739027 MXWZWHCCVOZNGP-INIZCTEOSA-N 456.527 5.260 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)cc1 1786244689 HKIVNTBIVYTCBG-UHFFFAOYSA-N 451.517 5.326 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)c(CC)nn3C)cc2)CCC1 1787124244 INOGSUSVWQNLOY-LJQANCHMSA-N 455.002 5.152 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)CC4CCCC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1787616295 WRDBZRQPULAUKL-QHCPKHFHSA-N 481.637 5.266 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccnc4c(O)cccc34)CCC2)cc1 1788649863 CNKQCSWIEBSOGC-VAWYXSNFSA-N 497.576 5.189 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccnn4-c4ccccc4)cc3)CCC2)cc1 1788869168 FWYARYHZYDIWGO-UHFFFAOYSA-N 489.579 5.124 30 20 JKED Cn1c(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)cc2ccccc21 1788885086 ZVUQCHLGCCOAMY-UHFFFAOYSA-N 462.553 5.040 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nc(C)sc45)cc3)CCC2)c1 1788945060 PIBJSZKIJKKIAT-UHFFFAOYSA-N 496.592 5.547 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N4N=C(C)CC4=O)cc3)CCC2)cc1 1789455786 CWTCHPIVBZHRLT-VWLOTQADSA-N 484.600 5.315 30 20 JKED CCSc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(OC)c3)cc2)CCC1 1790073050 QGHZPVLCDOEODU-UHFFFAOYSA-N 486.597 5.135 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)cc2)CCC1 1790744640 NUGTWOMAGKPRLR-UHFFFAOYSA-N 477.605 5.377 30 20 JKED COc1cc(OC)c(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc(C)cc(C#N)c4)cc3)CCC2)c1 1790796547 UESWTBXCRXQRQV-UHFFFAOYSA-N 487.531 5.085 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(Cl)s5)CCC4)cc3)c2c1 1790835999 QXUGXZQXBVVLKY-UHFFFAOYSA-N 475.961 5.211 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)c(OC)cc4o3)cc2)CCC1 1790876099 MJCCAYXRRMPNJB-UHFFFAOYSA-N 495.373 5.365 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791298946 HQCRWUNYYLVFRH-FQEVSTJZSA-N 491.579 5.122 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CCC2)cc1)C(F)(F)F 1791302529 PEJLKTAMGGXGSQ-MSOLQXFVSA-N 464.434 5.321 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccoc4)CCC3)cc2)cc1C#N 1792169471 LWKNKWJOYFPCAT-NYYWCZLTSA-N 469.541 5.400 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792221735 YGGDKMXVMWAIHN-UHFFFAOYSA-N 495.664 5.351 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccc(Br)cc4c3C)CCC2)cc1 1792267036 HYNAAJGJENMECN-UHFFFAOYSA-N 478.390 5.400 30 20 JKED O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)C2)c1cccs1 1796896153 NILMMBWQBVZVQV-YEXBIGLPSA-N 496.938 5.111 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)ccnc3c1)C2 1798420836 OKPJQBCRNCPQDT-WKCHPHFGSA-N 482.100 5.191 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1802742980 SPIGFNQFFXZOFL-ZJSXRUAMSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1803087401 ATBLMMHKQMRALH-FXAWDEMLSA-N 478.445 5.538 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@@H]1c1cccnc1 1803088295 JQYQMMBZAHKNSS-GXFGXRNXSA-N 463.666 5.462 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(Cl)s2)[C@@H]1c1cccnc1 1804280334 SPBVISWMELDYSS-AVRDEDQJSA-N 460.043 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807836180 NURGLGGFNCCLDH-LITSAYRRSA-N 494.639 5.540 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807845545 JWQDGTYUHXNRGI-NAKRPHOHSA-N 496.655 5.764 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1810500625 UVAKVBVGHFMHNB-FIPFOOKPSA-N 498.671 5.613 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1812074549 MGKCPTLBOSXQMO-BWKNWUBXSA-N 491.035 5.595 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)C[C@@H](C)c3ccccc3)[C@@H]2c2cccnc2)c1 1812735215 QKCKOSATIYUZCF-IALJRRRRSA-N 480.612 5.222 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1813766078 FTNJBFWUPTWQRD-ROKPMTFOSA-N 486.443 5.785 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)cc2c1 1813866188 MUVSFXMFHMVDSQ-MUXSNRJPSA-N 491.595 5.132 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1813869636 LNRHZHPKXMJSET-SDERSDJRSA-N 486.660 5.635 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)ccc2[nH]1 1814379474 ZFRKERAFVFZHLM-VWLOTQADSA-N 480.572 5.010 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)[nH]n1 1814443167 ONPZMLPEOGFFKS-QGQQZZQASA-N 464.635 5.282 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1)c1ccccc1 1814739024 LOLBVCMLZLVUDK-ILBGXUMGSA-N 469.589 5.100 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)[nH]n1 1814829682 IBVLZWQGQYVZMS-OAQYLSRUSA-N 489.542 5.217 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(C(C)=O)cc2)n[nH]1 1814959158 AHMVRGBCXKWCOJ-DEOSSOPVSA-N 494.636 5.456 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1816335718 IVYWOVUYBXVKRB-JOCHJYFZSA-N 498.518 5.004 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(-c4nccs4)noc3c2)n[nH]1 1818977740 HLABSMCFIWRGLD-KXBFYZLASA-N 490.589 5.193 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)[nH]n1 1819305339 RLNWSWHEWJPPNI-NIRIFSCTSA-N 475.637 5.235 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cccs3)on2)n[nH]1 1819788742 YASCOTPWNZVLPX-APWZRJJASA-N 465.579 5.201 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N3CCCC3)c(F)c2)n[nH]1 1820194208 RPAKJZWTISAWSW-YKSBVNFPSA-N 479.600 5.223 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3)[nH]n2)c1 1820485652 AMJKLNXEVDBPNO-FQEVSTJZSA-N 485.441 5.059 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1820974366 YHZLUWNFUMNLJH-ACJLOTCBSA-N 499.921 5.189 30 20 JKED Cc1cc(F)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1821062596 ONBVKQVUJCIHCA-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N3CCCOC3=O)cc2)n[nH]1 1821336702 ZOGHEPRKQQYHLU-QFIPXVFZSA-N 493.608 5.055 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)n[nH]1 1821339034 CQXXYDIXUYLKJW-FQEVSTJZSA-N 491.419 5.613 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821524278 OIQRYAIQCNXDGC-HYBUGGRVSA-N 497.599 6.225 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1)C(F)(F)F 1821992621 BUDCQYHDOIMPHS-OAQYLSRUSA-N 484.478 5.626 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCCCC(C)(C)C)n[nH]2)c1 1822116296 SMKCFFQOJOXSAQ-HSZRJFAPSA-N 479.625 5.592 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)cc1 1823685840 HVVNGLLEPLCRBZ-JOMKWTIYSA-N 461.650 5.081 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(Br)cccc4n3)CC2)C1 1823700238 JPHGRIFTCPVOOW-DEOSSOPVSA-N 496.449 5.197 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1823987694 WFKPPRFKJDFPJG-AREMUKBSSA-N 496.026 5.146 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824055906 HGVPEIBIULGIEI-VWLOTQADSA-N 494.035 5.086 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)CC2)c(Cl)c1 1824328060 LEQNHVVCOJAETI-JOCHJYFZSA-N 477.983 5.270 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCOc3ccc(Cl)cc3)CC2)cc1 1824989161 ADTWOZVYDVILBR-AREMUKBSSA-N 494.035 5.304 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 1825234477 MQIJAYLNGLXXPD-AUSIDOKSSA-N 499.055 5.155 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1825441791 OCLUSINKEKVDAN-CPJSRVTESA-N 474.649 5.486 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncsc2Br)CC1 1827724167 KHQYVQGZOKWJRN-KRWDZBQOSA-N 482.488 5.131 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)c1 1827793447 ODEUFAVYRBSFSI-NDEPHWFRSA-N 492.623 5.476 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cc(Br)ccc4c3)CC2)C1 1828507792 BXCYTLBHDCDAPG-RUZDIDTESA-N 495.461 5.802 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 1828827640 ZYMSZGBOMQARBS-PZJWPPBQSA-N 463.544 5.102 30 20 JKED CC(C)(C)c1cnc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cn1 1828905756 ZNASMOWEJNSEKW-XMMPIXPASA-N 496.772 5.059 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1829419700 YIBNQJUMQWNGQG-VWLOTQADSA-N 498.652 5.423 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829610487 VXPMWTZUYJIBGD-ISKFKSNPSA-N 487.648 5.008 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829690340 WXTRNQSQKKFGKZ-DEOSSOPVSA-N 496.076 5.546 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC[C@H]3CNc4ccccc4C3)CC2)cc1 1830628847 QGKHGILZTIBNSS-FUFSCUOVSA-N 498.671 5.051 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)ccn1 1830720411 KDMKGQXYICUGMX-DEOSSOPVSA-N 493.051 5.451 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c(Cl)c1 1830722017 YWDBSYCOXGBUJI-HXUWFJFHSA-N 492.929 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1830839214 XATFOCUWRNUWHJ-KNQAVFIVSA-N 469.029 5.218 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)cc1 1830986855 GEQGJVIIZUAIFK-AREMUKBSSA-N 469.585 5.171 30 20 JKED Cc1cc(C)n2ccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2n1 1831052762 IPDHGOTVXWOGSC-CCLHPLFOSA-N 497.643 5.125 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1)C(F)(F)F 1831452820 CWWKOAMIRNUAQR-HXUWFJFHSA-N 486.962 5.479 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1832030776 VXRSPDAIHKOBKM-DEOSSOPVSA-N 499.577 5.681 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832199797 AYBLFMMWAWNELO-WJRZVISNSA-N 470.617 5.045 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1ccc(F)cc1 12101023 FZGGYLSOTPLZLD-UHFFFAOYSA-N 469.973 5.271 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nc2sc(-c3ccccc3)cc2c1=O 16715732 YMXQEPZPSFBDQZ-GOSISDBHSA-N 475.639 6.047 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@H]1COc2ccccc2O1 21088790 CNDRUKSWLUALMJ-GOSISDBHSA-N 477.373 5.014 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2F)cc1 22696138 ABLWVLRUYLKYSE-UHFFFAOYSA-O 457.541 6.346 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cc(C)ccc2C)cc1 22729834 RJSGOIANJLSAEA-UHFFFAOYSA-O 465.708 7.224 30 20 JKED O=C(/C(=C(/S)NCCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1F 22735633 NNDZVUHCQKPJBC-UHFFFAOYSA-O 487.595 5.614 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 29202024 UCSBIBGTFDZMOE-HSZRJFAPSA-N 476.964 5.147 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1 36275078 GIRWAOINYBZTQH-UHFFFAOYSA-O 484.400 6.647 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)ccc1Cl 45353414 BTSGDADQYIDIHJ-UHFFFAOYSA-N 469.973 5.420 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 59326931 YQGNDUDJVMVHII-FQEVSTJZSA-N 475.589 5.295 30 20 JKED CCC[C@H]1CCc2nc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)sc2C1 60309274 XABGVNZBHRBCRN-HNNXBMFYSA-N 465.579 5.023 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(OCCCC#N)c3)[C@@H]2c2cccs2)cc1 71975076 KXROSZPREDHYRZ-JYFHCDHNSA-N 473.598 5.862 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)CC1 106081527 PRWOFPWTSGZRHE-XMMPIXPASA-N 470.504 5.068 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1Cl 107647502 QGVOGDNTPHZGTO-NRFANRHFSA-N 477.898 6.500 30 20 JKED CCCCN(Cc1ccccc1Cl)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 303149421 NKBSUQCOLORXAV-UHFFFAOYSA-N 466.969 5.505 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 303329877 WFTYJUZYOVATRY-HNNXBMFYSA-N 478.574 5.155 30 20 JKED CCN(C)[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccc1 490174599 RTHVESLVOZMFQL-FQEVSTJZSA-N 458.509 5.256 30 20 JKED N#C[C@H](C(=O)c1cc2cc(Br)cc(Br)c2o1)c1nc2ccccc2s1 492707182 URPJAMQYMZCMGM-LLVKDONJSA-N 476.149 6.058 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccccc1F 503735272 NLEMQYISPJVFLQ-QFIPXVFZSA-N 464.591 5.330 30 20 JKED CCCc1ccc([C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2cccs2)cc1 505895372 ILXGHDIDGQBMTE-RUZDIDTESA-N 457.603 5.070 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2SCc2c(C)noc2C)cc1 508149971 UPIWBVSBWGTGSC-UHFFFAOYSA-N 461.587 5.650 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(-c2cccs2)nc2ccccn12 509809018 PQIBALGLBSKGKJ-UHFFFAOYSA-N 497.374 5.113 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 510270510 NFBILQQFJGRTKT-SFHVURJKSA-N 474.586 5.370 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc2ccccc12 511421196 FLGLUWWBQUMEMP-AVRWGWEMSA-N 467.956 5.965 30 20 JKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cc2c(cc1Br)OCCO2 513569122 WUFIMTIHLRMQRA-KRWDZBQOSA-N 479.374 5.522 30 20 JKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1 513687239 OKBYOMWJKUQTOQ-MRXNPFEDSA-N 462.918 5.960 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 514358235 QYZIRIXPNKJXFY-JZGPVCMCSA-N 488.057 5.108 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCOc2cccc(Br)c2)cc1 517469719 JVBRCBQJENOCKQ-UHFFFAOYSA-N 465.347 5.502 30 20 JKED CCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)c1ccccc1OC 519913339 TZQMHAKJLMAWTC-NRFANRHFSA-N 457.574 6.345 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1C 519942052 GZAQMJNTZKUNHS-UHFFFAOYSA-N 498.631 5.147 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 520187715 AXYHGEMGXKPQQK-MRXNPFEDSA-N 469.563 5.273 30 20 JKED N#Cc1cccc(COc2cccc(CNc3cc(-c4cccc(Cl)c4)nn3CCO)c2)c1 520217746 FSAJQYNVVQIOSI-UHFFFAOYSA-N 458.949 5.259 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)cc1 520454397 NEGHTJKZZUEFAU-UHFFFAOYSA-N 491.595 5.571 30 20 JKED CCn1c(SCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)nnc1-c1cccs1 521498576 BMLGJAVFIMHESU-NRFANRHFSA-N 489.626 5.079 30 20 JKED C[C@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2 521691060 NUTVYTLAVWDZKA-RDJZCZTQSA-N 457.571 5.025 30 20 JKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 521731412 WNIFLIYBSLOPBN-KGLIPLIRSA-N 458.559 5.779 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccc2ncccc2c1 521812052 FAZZEWRMXOSCBI-IBGZPJMESA-N 470.945 5.391 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524391651 ULSBHAMSGNZUNZ-HXUWFJFHSA-N 473.598 5.453 30 20 JKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 553267719 GMMCSMASNRKFHA-CQSZACIVSA-N 476.517 5.299 30 20 JKED C[C@H]1CN(Cc2ccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)cc2)C[C@@H](C)O1 559872008 WNSMQHYLYWTEJU-ZRZAMGCNSA-N 455.602 5.036 30 20 JKED Cc1sc2nc(S[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n(C(C)C)c(=O)c2c1C 597522309 HNWRIHMWVYYNGN-LPLFELETSA-N 460.669 5.067 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 603601095 NLXFJNPVVSSXIA-UHFFFAOYSA-N 481.478 5.323 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(NC(=O)c2ccoc2C)n1 603737972 YOJFGWQQJKETKJ-UHFFFAOYSA-N 488.544 5.392 30 20 JKED Cc1cccc(Cc2sc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)nc2C)c1 603974208 DQYCURGOOYDERB-UHFFFAOYSA-N 487.585 5.326 30 20 JKED CCn1c(SCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)nnc1-c1ccccc1C 609028506 ALBVXPAWYBPDKD-RUZDIDTESA-N 497.624 5.326 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 609073671 SDPPHIKOSVFJMZ-UHFFFAOYSA-N 499.502 5.651 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cc(Br)cs1 609079370 ZPUBQQJMWSYDQB-UHFFFAOYSA-N 470.392 5.934 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 609436935 YQAXWCXFXVOLGB-WMZOPIPTSA-N 465.554 5.681 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc2ccccc2n1 613292692 PMYQXLMQLWOIHE-QGZVFWFLSA-N 460.287 5.333 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)n2)cc1 613314274 HWOPNNKOEARUCY-QHCPKHFHSA-N 476.561 6.634 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c(C)c2c1 615004710 QQJXJDNOZFDSPP-UHFFFAOYSA-N 466.537 6.160 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC 617993294 OZRKQIOHZJKEBU-CYBMUJFWSA-N 463.390 5.566 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccc(F)cc1 619086552 ZTCPYFLTLBQMNC-CYBMUJFWSA-N 461.360 5.152 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642689268 YZWUSTMJHYLJRO-FICVDOATSA-N 460.340 5.266 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C[C@H]3CCCO3)C2=O)c1 726416451 WMBJJHSWDFHCGO-VWNXMTODSA-N 495.645 5.230 30 20 JKED C=C(C)COc1cc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)ccc1OC 726624744 ADSZSKXFJOOMIJ-NHDPSOOVSA-N 457.573 5.073 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 727564473 ZDKFJXQIISAMKV-ZDUSSCGKSA-N 486.018 5.850 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c1 727650864 WBQLCEWRCMGDMZ-RUZDIDTESA-N 498.608 5.312 30 20 JKED C#CC[C@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)c1ccccn1 727775333 FBYQIOJWXHHICU-IBGZPJMESA-N 452.850 5.366 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2F)c1 728182804 IMGNFSVHPHFNFA-UHFFFAOYSA-N 460.690 5.340 30 20 JKED Cc1cc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c(C)n1-c1ccc(C#N)cc1 728888186 OGLFZUFUZVKUKW-UHFFFAOYSA-N 451.530 5.036 30 20 JKED Cc1oc2c(CN3CCC(Oc4ccc(C#N)cc4)CC3)c(O)ccc2c(=O)c1-c1ccccc1 728903678 SVEOCNIOSPSRPH-UHFFFAOYSA-N 466.537 5.389 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1 729145674 NDZRZYPTXUFVTQ-LJQANCHMSA-N 486.569 5.199 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1 729188772 LTXHLHBMGAZIFJ-KSSFIOAISA-N 489.956 5.133 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)c1OC 729432468 IBSVIFGTVVPENO-IBGZPJMESA-N 485.309 5.392 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@H](C)c1cccs1 729631421 ITHLMIHSLOENQE-JBWIOHFISA-N 482.606 5.181 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc(-c3ccccc3)nc21 729887828 CRBJLAKFLWMPOJ-HXUWFJFHSA-N 492.366 5.947 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc2)cc1 729891801 MYLIPNXCRRUWIK-UNMCSNQZSA-N 472.495 5.478 30 20 JKED Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1C 731063650 LVUXOUGLTPZDAR-CQSZACIVSA-N 487.647 5.539 30 20 JKED O=C(COC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)c1ccc(F)c(F)c1 731102869 QPXQMIBMVSJVLN-UHFFFAOYSA-N 495.738 5.195 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 731335360 OGYUYVGVERDKNG-AWEZNQCLSA-N 466.028 5.063 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(CC)C[C@H]2CCCO2)ccc1Cl 743912406 SYQJKHKCOJCYTL-HXUWFJFHSA-N 497.444 5.016 30 20 JKED CC[C@@H](OC)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 744641463 NTTYFHGXIWVJQJ-CSNYQSHPSA-N 468.575 5.206 30 20 JKED C[C@H](Oc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1)C(=O)O 745022154 XTEMZVYVJKPZQM-QIENPNARSA-N 484.335 5.994 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(Cl)cc(Cl)c1 745988851 AZIKKFYIVNFLDP-IBGZPJMESA-N 480.417 5.217 30 20 JKED CCn1c(-c2cc(-c3ccc(C)cc3)nc3ccccc23)nn(CN(C)C[C@H](C)C#N)c1=S 746706972 SPLWVEIGDBOIHS-LJQANCHMSA-N 456.619 5.674 30 20 JKED Cc1ccccc1[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccs1 748503460 QSDMYNOJJRRPFT-HSZRJFAPSA-N 473.554 5.725 30 20 JKED CC(=NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCOC2=O)cc1 748579833 QOZNECAXQDWNLW-UHFFFAOYSA-N 456.877 5.026 30 20 JKED COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 748583574 GUFRKLQJMULEFA-QPJJXVBHSA-N 481.140 5.073 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1 750394552 HZXFJOLBSWJKAL-MAUKXSAKSA-N 498.008 5.018 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c4ccccc4)cc3)o2)cc1 792616765 BENXYNNSYBAULR-FQEVSTJZSA-N 480.524 5.204 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc12 825460937 CEJPLNBWGCHVBJ-CYBMUJFWSA-N 494.573 5.140 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCc2cccc(F)c2)C1=O 837300720 CCHJVVYNBDMQON-HSZRJFAPSA-N 495.551 5.176 30 20 JKED CC(C)C(=O)N1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 915102501 VEAFLIRHSVLRIF-MRXNPFEDSA-N 450.391 5.188 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CC2CCC2)C1=O 915110922 FRMLCWTZMHOXDW-FQEVSTJZSA-N 457.983 5.109 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc(COCc3ccccc3)c2)C1=O)NC1CC1 915270139 PLNAGFGNGIRSDQ-SANMLTNESA-N 499.636 5.204 30 20 JKED CCOc1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)S2)cc1 916231616 NRSBZULDJDMPHQ-JOCHJYFZSA-N 461.543 5.126 30 20 JKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)[C@H](C)Oc1ccccc1C#N 916879307 QLRTWKJHLFVPFF-SFHVURJKSA-N 466.493 5.345 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)s2)cc1 916905096 MIKHEECCHVEOPK-NRFANRHFSA-N 483.549 5.881 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1-c1ccccn1 916910794 UKZBVTCTCMCJGV-JOCHJYFZSA-N 450.498 5.243 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1Oc1ccccc1 916911124 VUCGDJJRMNCLMM-FQEVSTJZSA-N 485.927 6.067 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045647 ZETBXWLCFGHDOO-ZFWWWQNUSA-N 477.895 5.193 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2ccsc2)C1=O 917670967 FUDZNTPJOJRQFA-JOCHJYFZSA-N 479.627 5.534 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1F 917675004 DXAFKDSOXNXDNQ-NRFANRHFSA-N 496.495 5.034 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(SCc3ccccc3)cc2)c1 917691110 UXRTVWIYRCKWAA-PNHLSOANSA-N 479.627 5.044 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 918623876 FHCITKUPODURCD-HSZRJFAPSA-N 473.916 5.054 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 919418167 GNLSIAHIOSNLOF-UHFFFAOYSA-N 498.358 5.048 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1cc(C)on1 920354319 AWUFPTNIIMHRHS-JOCHJYFZSA-N 462.575 5.014 30 20 JKED CCOc1c(Cl)cc(C=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1OC 920399756 ZCYUOOLMCJVIFF-UHFFFAOYSA-N 456.713 5.655 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(Cl)s3)n2)cc1 920676184 PADUXJCNXSYFCE-CQSZACIVSA-N 459.980 5.326 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 920891893 GAQUIFURHFOULN-FQEVSTJZSA-N 472.589 5.389 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 920892782 QALBSIBPJLQBSH-JOCHJYFZSA-N 499.615 5.255 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 921034948 HHNHJPYNOYJPNV-UHFFFAOYSA-N 483.480 5.465 30 20 JKED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccc(CCCC)cc3)cc2)C1 1780859480 OKZOHRUXVZDHBR-GRKNLSHJSA-N 486.656 5.237 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)cc2F)C1 1783056989 NRMCVOMGNIIDSB-VZDNWZCBSA-N 483.411 5.028 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCCOc4cccc(Br)c4)CCC3)cc2)C1 1785804882 VUUYMUXNFXJJOK-UHFFFAOYSA-N 497.433 5.708 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCCCO)cc3)CCC2)cc1 1785843345 VUIBRTHPFLZMJA-UHFFFAOYSA-N 464.606 5.188 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CCC2)cc1 1786365800 QWBRCQJXRZYYGD-RPWUZVMVSA-N 450.554 5.046 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2)CCC1 1788685462 IXFKRKAUPDMMGT-QGZVFWFLSA-N 460.603 5.473 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cncn3-c3ccc(Cl)cc3F)cc2)CCC1 1788690456 RSPVVSRVOGDNPC-UHFFFAOYSA-N 492.982 5.606 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)CCC2)cc1 1789454017 KUMADYUPEJNJTE-QHCPKHFHSA-N 493.611 5.846 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ncccc3F)cc2)CCC1 1789909671 OGPMSTVYBOXYBW-UHFFFAOYSA-N 451.618 5.020 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)(F)F)c4)CCC3)cc2)c1 1790765303 ZXZPLTJZDLQLFE-UHFFFAOYSA-N 482.437 5.173 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CNc4ccc(F)cc4)CCC3)cc2)c(Cl)c1 1790767036 KOZYMBOSUKJZLE-UHFFFAOYSA-N 476.939 5.211 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)cc2)CCC1 1791481970 SQMABIVYBFQYOY-SFTDATJTSA-N 453.380 5.263 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)CC=CCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681436 UBPOWEVOMSBEHY-NEKDWFFYSA-N 493.648 5.433 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccco3)cc2)CCC1 1791802904 OHIGKBDYZKGJKP-JOCHJYFZSA-N 493.604 5.173 30 20 JKED CC(C)N1CCC(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)CC1 1792122577 CDRMAIHQDCINMR-NRFANRHFSA-N 472.633 5.182 30 20 JKED CC(C)c1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)co1 1792123101 IQTFQYVVIMHXOD-SFHVURJKSA-N 456.546 5.487 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)c(C(F)(F)F)c4)cc3)CCC2)c1 1792173562 PTAJIOPSWUXCBL-UHFFFAOYSA-N 470.426 5.106 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1800463787 RZUZGSAWDYAPSP-ACDBMABISA-N 489.925 5.115 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CC#N)cc1 1800545439 AQNQJCSZBUGDPW-OOSCYNTBSA-N 495.664 5.078 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1 1801403208 UEMZGXCNZQJXMV-UCWKTGAJSA-N 485.672 5.266 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1802629828 UMWCZTZGPZOYJU-BKFWDETESA-N 453.586 5.052 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1803561142 SQHNOHYLZCAKKZ-ZEQKJWHPSA-N 457.659 5.067 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cccc1C(F)(F)F 1803837267 NHMUOBPWPJNWGV-ACDBMABISA-N 478.631 5.317 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(F)cc2F)[C@H]1c1cccnc1 1803983435 URWGMQDNEJSYHT-KZJNQIRTSA-N 467.560 5.071 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)Cc4ccc([C@@H](C)C(F)(F)F)cc4)CC3)C2)C1 1804785544 JMXWORKODLTPOI-LJQANCHMSA-N 462.556 5.092 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)C1 1805334078 SDUVKAUQTBGMDP-DHIUTWEWSA-N 496.985 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1806413295 JBGNGDGPCITCPE-IXCJQBJRSA-N 469.629 5.476 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)CCc3cccs3)C2)CC1)c1ccccc1 1807224389 IMGUWNITPJIAIQ-RUZDIDTESA-N 462.659 5.109 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c4cc(Cl)ccc34)[C@H]2c2cccnc2)c1 1809193994 GAGQNIFYTPORHI-RXFWQSSRSA-N 497.986 5.030 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)CC1 1809438149 GFCLFGKSFHYIAH-QFIPXVFZSA-N 478.555 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1810175304 VDMDAUDBFSTDRK-IHTKTJBKSA-N 495.623 5.962 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1810183769 XWSNHXMSHGTWCG-SDUSCBPUSA-N 478.036 5.241 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)[C@H]2c2cccnc2)c1 1811936752 YKCMPOFQVGZZER-FNZWTVRRSA-N 497.986 5.030 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1811998537 QLZHDKYPTJZNRS-OXQOHEQNSA-N 482.358 5.228 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1812071481 DFQIIMCUMGVGBZ-BKMJKUGQSA-N 489.019 5.371 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302149 PSAYUZASSXVSAY-DWACAAAGSA-N 497.595 5.283 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812807749 RBTHYDYYNAIHGY-GSLIJJQTSA-N 453.671 5.852 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1813870092 XMBIYHPHGTWKGE-QIDLSXJSSA-N 488.676 6.025 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Br)cc(C(C)C)c3)[nH]n2)C1 1814397901 ZVTIDVVDGFAUQD-NRFANRHFSA-N 485.426 5.568 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1815244014 RUDHMGNJCONTLF-UZLBHIALSA-N 460.600 5.024 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@@H](S)C(C)C)n[nH]3)cc2n1 1815244355 XHRXCNGQOYTPBI-UNMCSNQZSA-N 486.041 5.180 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4c(Br)cccc4c3)n[nH]2)C1 1819130218 WLCCJWLTDOJAOP-QFIPXVFZSA-N 493.405 5.598 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)n[nH]1 1819408762 BOJICXSFLQZKFF-PVSGBFIBSA-N 464.635 5.282 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4c(c3)c3ccccc3n4CC)n[nH]2)C1 1820225320 FVWYVFRSNZOJBY-AREMUKBSSA-N 481.600 5.810 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)[nH]n2)c1 1820487155 OLRNESNTRRWQNE-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821147759 MPKAXIMJJUESBD-GGAORHGYSA-N 464.610 5.661 30 20 JKED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccc(OCc3ccccc3)cc2)C(C)C)[nH]n1 1821877665 FVSGJQJEWCKOCM-LEAFIULHSA-N 484.600 5.054 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1 1821983823 ARCWICVIFHVRIP-NRFANRHFSA-N 467.520 5.231 30 20 JKED C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1)c1ccccc1 1822038181 AZUXNJBDTKVVBN-CJFMBICVSA-N 469.589 5.100 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)[nH]n2)c1 1823218319 QPNWBOLQSXTEOA-AUUYWEPGSA-N 497.386 5.358 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(Br)ccc3Cl)CC2)C1 1823703462 ZSDFYFUQRSVEJV-QFIPXVFZSA-N 493.873 5.231 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824143583 NULYNBGVPGHKNH-XMMPIXPASA-N 454.014 5.213 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2C(=O)OC)CC1 1824265955 GFAAEBXHSYVGSP-RUZDIDTESA-N 482.665 5.018 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1824501911 ZICLGZFKHJJSIH-AREMUKBSSA-N 486.722 5.221 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1824504241 NRXFRNAHWFXWHO-CVDCTZTESA-N 485.024 5.424 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(Br)cc3F)CC2)C1 1824841545 FDDGYSPRNQEBQY-AVAOGFIGSA-N 489.429 5.187 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1824961098 HTZOQFWXZLVACQ-HXUWFJFHSA-N 494.583 5.020 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)CC1 1824998498 DRUMYLHSFSBGEA-RUZDIDTESA-N 473.057 5.279 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(Br)cc2C)CC1 1826188430 ISMCAYUPNGXSTM-YADHBBJMSA-N 488.470 5.154 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1826690007 ISJRVHAMGBSARI-NRFANRHFSA-N 453.970 5.137 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)CC1 1827169185 PMQMLWIIUIUEIL-SHQCIBLASA-N 461.650 5.489 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)cc12 1827414036 UMYJHVHHKJIODN-OAQYLSRUSA-N 478.643 5.085 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828553823 NBQOJVOGUWCNNX-MRXNPFEDSA-N 452.592 5.408 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1828891102 SXYIAGUPEJQMGB-HYBUGGRVSA-N 483.653 5.333 30 20 JKED CO[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1)c1ccccc1 1828905231 LVOPJYJOZWVYDI-VPUSJEBWSA-N 482.741 5.045 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNc2ccccc2C)CC1)c1ccccc1 1829031854 AZHXOBDWORALMZ-LMSSTIIKSA-N 485.672 5.224 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1829233825 AVPFJBYKHRMYNC-GAJHUEQPSA-N 499.442 5.563 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829673904 YRRMEXDCXRAXMJ-XMMPIXPASA-N 453.602 5.533 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(Br)c3C)CC2)C1 1829696635 TXGLUDDWPNNZMG-JOCHJYFZSA-N 477.418 5.096 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701261 NZXYHFPXJJQGRQ-YJGSSNSBSA-N 481.980 5.032 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1 1829783875 NTNZFBJPZBIRKR-FUHWJXTLSA-N 487.529 5.007 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830449969 SQVPLQWSPCXVMV-XNMGPUDCSA-N 466.572 5.694 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1Cl 1830486332 SCMNSMZNGRXHMJ-JOCHJYFZSA-N 488.390 5.551 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c(Cl)c1 1830722423 IDRBKSZGAFQUOA-AREMUKBSSA-N 476.020 5.636 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)Sc3cccs3)CC2)c1 1830769474 QDRISHRGBZIBBH-XXBNENTESA-N 481.687 5.342 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1)C(F)(F)F 1831452923 QJOVWXIMZHLDDF-FQEVSTJZSA-N 467.919 5.173 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3ccc(Br)cc23)CC1 1831851988 JCOGDAVLDBRPQC-XMMPIXPASA-N 496.449 5.034 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 1831860310 NGTYJIBPOHPCSF-YKSBVNFPSA-N 483.653 5.082 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2Br)CC1 1832030411 PEXQWAJLELLKMY-HXUWFJFHSA-N 495.408 5.154 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)CC1 1832036424 BLWYTPASZHUDPI-RUZDIDTESA-N 454.680 5.339 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832633663 MLROGAUSTAUZDL-DFHRPNOPSA-N 487.644 5.650 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1832825981 DMZBFVXDSLXNPG-HXUWFJFHSA-N 487.463 5.311 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)CCCCCCCCNC(=O)OC(C)(C)C)C2 1844199914 PRSGFKAPBRRMHR-QHCPKHFHSA-N 489.701 5.214 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccc(Cl)cc1 9928943 AFPYWCHHICIBDH-UHFFFAOYSA-N 453.999 5.116 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nc2scc(-c3cccs3)c2c1=O 11382528 MDZZBYKJMJSETP-OAHLLOKOSA-N 484.672 5.196 30 20 JKED Cc1ccccc1-n1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nnc1-c1c[nH]c2ccccc12 15234457 ZKFUIXADKZTBLG-NRFANRHFSA-N 495.608 5.322 30 20 JKED C=CCN(C(=O)COC(=O)c1cc(C(C)=O)cn1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 16540855 YWVHHLBAJXWJJV-UHFFFAOYSA-N 492.384 5.034 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nc2sc3c(c2c1=O)CCC3 23405331 BWJRHMPEBSYFQR-HNNXBMFYSA-N 467.660 5.377 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(Br)cc1 24015649 PDJUINGUPUARAZ-CYBMUJFWSA-N 478.441 5.086 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(CO)c1)c1ccccc1Br 24033678 YCKPTXIZFBMWGY-UHFFFAOYSA-O 492.418 5.433 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 25802143 PGEYEWDQKWXYNE-LJQANCHMSA-N 493.654 5.231 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29955946 SAZRTGLPQBXMOU-XMMPIXPASA-N 494.521 5.147 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nnn1-c1ccccc1Cl 303198105 LEVJKNRSYBEVLV-UHFFFAOYSA-N 457.921 5.127 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 409799414 WKFAKAAHFQARGJ-VWLOTQADSA-N 471.463 6.091 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(Cl)cc1 481515572 FZCSMMMUESQSHK-XMMPIXPASA-N 479.939 5.382 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(COc4ccccc4)CC3)cc2F)c1 481656233 HZGFFKXDCPNXAW-UHFFFAOYSA-N 459.521 5.599 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(OCc4cccc(F)c4)c(F)c3)CC2)cc1 491392846 CJAUWIUSGXXIBU-UHFFFAOYSA-N 476.527 5.155 30 20 JKED O=C(NCc1ccc(OC(F)F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 497063296 BGEFGSSYWSSAEC-UHFFFAOYSA-N 479.327 5.441 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1C 499836331 UUWKWXROTCEWKX-HSZRJFAPSA-N 493.405 5.057 30 20 JKED CCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)[C@H](C)c1ccc(C#N)cc1 500142894 OXITUJWLWBBUAM-MRXNPFEDSA-N 457.917 5.236 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 501851713 SXAHFXDUJPCLKP-RUZDIDTESA-N 455.537 5.410 30 20 JKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N2CCCN(c3ccccc3C#N)CC2)n1 503256351 AFBGVONRDUYWJN-UHFFFAOYSA-N 482.510 5.124 30 20 JKED CCN(C(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)[C@H](C)c1ccc(C#N)cc1 509619787 RXQRJMPJBVLBJE-HXUWFJFHSA-N 469.585 5.182 30 20 JKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510251964 GCVGSNQQTFTIEX-UHFFFAOYSA-N 479.509 5.265 30 20 JKED N#C[C@@H](C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc(O)c2c3c(sc2n1)CCCC3 513670927 DLCOMZGNOPNSBQ-KRWDZBQOSA-N 485.525 5.418 30 20 JKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 514239579 OFSNYTBXCIYEDW-HXUWFJFHSA-N 472.564 5.138 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCCSCc1ccccc1C#N 515261970 AAUYQJVVEYLHNG-UHFFFAOYSA-N 459.575 5.566 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)c(C)c1Br 515539006 DGWVEEWHYVNWLB-INIZCTEOSA-N 484.304 5.487 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 517460865 BVWALWKPXKASAA-OAHLLOKOSA-N 470.520 6.273 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 518147082 WUQBKFYXTBVETN-OAHLLOKOSA-N 458.008 6.119 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(N3CCCCCC3)nc2)cc1OCC 518266886 KNQIGJKLEHPQAR-UHFFFAOYSA-N 474.443 5.478 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCN(C(=O)CC4CCCC4)CC3)cc2Cl)c1 518631807 NVJSZYQCUHXEPW-UHFFFAOYSA-N 495.023 5.437 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)cc1 519065734 RGHSPRIFLCOERW-UHFFFAOYSA-N 461.326 5.070 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 519454294 ATPGDWOBKFMNMY-XMMPIXPASA-N 457.961 5.191 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 520197599 IKORJFNXRHJPOM-MRXNPFEDSA-N 476.524 5.090 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 561209541 JMBBNAGLACMGAR-OAHLLOKOSA-N 476.583 5.063 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 582232254 QEYSBDFYVBKFTM-QGZVFWFLSA-N 477.380 5.349 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2sc(C)c(C)c2C#N)c(OC)c1 603445186 PNFRGQRUNFVWMT-UHFFFAOYSA-N 458.543 5.359 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 603670305 SYKQYDPEOXGHBP-UHFFFAOYSA-N 459.474 5.089 30 20 JKED CCOc1ccc(-c2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)cc1 603739171 WTQFMGYBNATZDA-UHFFFAOYSA-N 456.527 5.829 30 20 JKED C=CCN(C(=O)c1cccc(OCc2cccnc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603750751 FMJMGGSODVHLTQ-UHFFFAOYSA-N 472.526 5.525 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OCc1ccncc1 603828970 HONIMZKIAHGDMR-IBGZPJMESA-N 495.539 5.611 30 20 JKED Cc1c(NC(=O)c2ccccc2I)cccc1N[C@@H](C#N)Cc1ccccc1 603955359 USHNOQZATKZAEF-GOSISDBHSA-N 481.337 5.399 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)cc1 604139527 VPOJQCFCWHZVSL-XMMPIXPASA-N 475.932 5.219 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 604439272 GZMYGDIOPFURIQ-QFIPXVFZSA-N 494.620 5.790 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 604490802 AQAWRCSCOBCEJK-UHFFFAOYSA-N 455.489 5.308 30 20 JKED CC(C)C[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 608822528 FNRKUNONBODCRO-JOCHJYFZSA-N 496.032 5.404 30 20 JKED CCCOc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609078366 LGBSFEFUAREOLP-UHFFFAOYSA-N 459.546 5.565 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)CC2)c1 609185699 MAYFEVVHRLCLFX-UHFFFAOYSA-N 458.370 5.672 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc(-c3cccs3)nc21 609378224 WJBBKCIPNYRPDR-INIZCTEOSA-N 461.616 6.245 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CC1 609404114 GCUNUSXSXLTVDM-UHFFFAOYSA-N 481.927 5.151 30 20 JKED Cc1cc(I)ccc1NC(=O)CNc1ccccc1S[C@@H](C)CC#N 609431730 HUHLVRJPULGBCU-AWEZNQCLSA-N 465.360 5.045 30 20 JKED N#C[C@@H](C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1nc(-c2c(F)cccc2F)cs1 620304406 ZBJUBNSPSCVCPR-IBGZPJMESA-N 499.498 5.375 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)Nc1ccccc1F)C(C)C 639394382 MALHPQAKFCJURI-OAQYLSRUSA-N 458.534 5.077 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1sc2cc(C(F)(F)F)ccc2c1Cl 642161210 CDUTZPIKVIJDRJ-MYJAWHEDSA-N 497.810 7.213 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)nnc1-c1ccc(Cl)cc1 643186479 UAXHOIKAIKVUHJ-MRXNPFEDSA-N 487.025 5.080 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(Br)cc2Br)cc(OC)c1OC 680420810 JEYPPCAEMBCWGG-UHFFFAOYSA-N 455.146 5.210 30 20 JKED CCN(CC)C(=O)c1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 726075694 RDOMHLFWPSZRGM-UHFFFAOYSA-N 458.537 5.414 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 726321670 LZKBFTZRBYIZRH-FPDVZWGLSA-N 479.690 5.652 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)cc1F 726411542 NBGHRRNFJSQQHC-NRFANRHFSA-N 498.605 5.068 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(F)(F)F)C2=O)cc1 726416043 RHYXWURUZYUMHV-IBGZPJMESA-N 479.524 5.305 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@H](C)c1cccs1 726421852 QECUTUAMOCQAQQ-SPXBZFAHSA-N 499.580 5.193 30 20 JKED CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=S)Nc1ccc(C#N)c(Cl)c1)N(C)C 726479498 VSDBMQKRDRVZMG-NRFANRHFSA-N 483.896 6.304 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1Cl 726733305 VPWRFDAFEMHPHO-INIZCTEOSA-N 459.354 6.000 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccc2F)cn1 726891068 MSKFWTHKFQSVIV-JOCHJYFZSA-N 492.576 5.007 30 20 JKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)C1CCCCC1 727627945 QSUGDVPKDNFQHJ-SUMWQHHRSA-N 464.418 5.768 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)cc(OC)c1OC 727646824 GIOINLDZMFVSOM-HSZRJFAPSA-N 461.562 5.238 30 20 JKED N#Cc1cccc(COc2ccc(NCc3nc(-c4ccc(C(F)(F)F)cc4)no3)cc2F)c1 728200974 XTPNUKYDZXQNDR-UHFFFAOYSA-N 468.410 5.957 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1ccccn1 728421102 OTBMGWLGSOIKBI-XXBNENTESA-N 483.597 5.292 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2C#N)ccc1F 728424701 GWKKASAKTVLMSH-DEOSSOPVSA-N 497.555 5.038 30 20 JKED CSc1ccc2cc(Cn3cc(C#N)c(=O)c4cc(Br)ccc43)c(Cl)nc2c1 728705120 PFNOXGOQOOPZRB-UHFFFAOYSA-N 470.779 5.607 30 20 JKED N#CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1 728852080 JGUINZRYBPQLHJ-UHFFFAOYSA-N 499.995 5.298 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)cc1C 729141910 DSRWQJKSMKAQJE-FQEVSTJZSA-N 464.616 5.229 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2F)cc1 729818716 FIFLOOOASXPJHQ-HSZRJFAPSA-N 490.535 5.305 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1[C@@H]1CCc2c(Cl)cccc21 730708250 CFBNUAZVJCNWJX-RTWAWAEBSA-N 492.004 5.086 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730945180 PCZMWEXNBSBWKN-SBUREZEXSA-N 476.577 5.505 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 731079667 GDNPVWWDZQULDB-HNNXBMFYSA-N 462.493 5.171 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731306613 WJYIJMOTXBXDHC-OAQYLSRUSA-N 465.962 5.206 30 20 JKED CCOC(=O)Nc1ccc2c(CNc3ccc(Oc4cccc(C#N)c4)cc3)cc(=O)oc2c1 731357770 PNTJWFPFELGLNP-UHFFFAOYSA-N 455.470 5.637 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3CCN(CC4CCCCC4)CC3)cc2Cl)cc1 744920388 OLWJENZHVSAPRI-UHFFFAOYSA-N 495.023 5.103 30 20 JKED COc1cc(C(=O)/C=C\c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)ccc1S(C)(=O)=O 747065535 AMEPILUHCPMEHM-ZSOIEALJSA-N 490.556 5.295 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccc(NC(C)=O)c2)cc(Br)c1OC(F)F 750895414 GOWFSNRJPXECPS-FPLPWBNLSA-N 454.267 5.304 30 20 JKED CCOc1cc(/C=C2\CCc3oc(C(=O)O)c(C)c3C2=O)cc(Br)c1OC(F)F 750905003 KVVLOKSTYOSPRK-IZZDOVSWSA-N 471.250 5.261 30 20 JKED Cc1nc(NN=C2C(=O)Nc3c2cccc3C(F)(F)F)c2cc(-c3ccccc3)sc2n1 767105360 FLXLAZULPGYNHD-UHFFFAOYSA-N 453.449 5.454 30 20 JKED Cc1oc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)c(C#N)c1C 822036837 UMZJHQIMAJARHV-ATVHPVEESA-N 483.549 5.660 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N([C@H](C)c2ccccn2)C1=O 837285263 MFMQURLONFZQSX-AUSIDOKSSA-N 488.613 5.429 30 20 JKED N#CC1(NC(=O)COC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)CCCCC1 899914109 JSAUUTAIKLXTMI-UHFFFAOYSA-N 470.554 5.011 30 20 JKED C=C(Cl)CSc1nc(C)c(Cc2nc(C[C@H](C)N(C)C(=O)OC(C)(C)C)no2)s1 904655031 JDDNSRQFWRGSNZ-LBPRGKRZSA-N 459.037 5.068 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101663 JZMBRCGQGIVOAQ-RBBKRZOGSA-N 491.016 5.505 30 20 JKED CCN(CC)C(=O)c1ccc(C/N=C\c2cc(Br)cc(Br)c2O)cc1 915112634 BPALKRHWDXPKKE-UUYOSTAYSA-N 468.189 5.018 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OCc2cccnc2)cc1 915772766 QJKRGCWUXZSWMF-RBTNQOKQSA-N 490.563 5.132 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2cc(C)ccc2C)cs1 915913161 ZPNQBWREVHFZKT-UHFFFAOYSA-N 451.621 5.382 30 20 JKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1ccc(OCc2ccncc2)cc1)C(=O)c1ccccc1 915984094 HTUDKUMFIHHQPF-NLRVBDNBSA-N 492.531 5.337 30 20 JKED COc1cc(/C=C\C(=O)c2cc(C)sc2C)ccc1OCC(=O)Nc1ccccc1Cl 916155796 BOSVBWBSAKCAFH-NTMALXAHSA-N 455.963 5.941 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccccc1Cl 916209356 KCMWUCNLIXRGJV-FQEVSTJZSA-N 475.998 5.118 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(Cl)cc1 916212292 VWTIQULKRGQHPY-OAQYLSRUSA-N 467.978 5.100 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)c(Cl)cc3OC)C(=O)N2C2CC2)cc1 916214472 MMWDKUAQTQGENN-OAQYLSRUSA-N 488.009 5.178 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 916902906 LOYBZDNIBUJXAG-YPLUBFQTSA-N 468.937 5.885 30 20 JKED N#C[C@@H](C(=O)C1=Cc2cc(Br)ccc2OC1)c1nc(-c2ccc(Cl)cc2)cs1 916975899 GLGWWBHGIHDVRK-KRWDZBQOSA-N 471.763 5.878 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 917029700 OEXPIUXBWFCPOP-UHFFFAOYSA-N 478.549 5.241 30 20 JKED CCCn1c(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)nc2ccccc21 917536745 VWZPYSNPJVTSDD-UHFFFAOYSA-N 461.978 5.729 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=Nn2c(S)nnc2-c2ccccc2Cl)cs1 917538960 QYVFKUSRPMZTIO-UHFFFAOYSA-N 468.995 5.219 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)cs1 917562783 KKLLSVLSKCEDNJ-ODLFYWEKSA-N 466.563 5.475 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2C#N)cc1 917702258 DOTYYTOOKZWMBM-HSZRJFAPSA-N 490.535 5.305 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@@H]2CCCO2)c1 917714228 QIWDVMRGFXNHMF-UGKGYDQZSA-N 469.582 5.088 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 918491540 CEFDNISJTXFETD-CYBMUJFWSA-N 497.951 5.759 30 20 JKED O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919933203 XGHHXZVHIOSUPM-VXGBXAGGSA-N 459.312 5.094 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 920103965 KCIOCKGJZYJNDW-HNAYVOBHSA-N 467.485 5.158 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143452 ZWLBDWKJBIWBCQ-SFHVURJKSA-N 494.370 5.292 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)c(F)c2)C1=O 920353103 AVKFVZHLROBHJD-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1c(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)nnn1-c1cccc(Br)c1 920389139 LAYRCLRCWKVHQQ-FPLPWBNLSA-N 485.773 5.213 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1C 920678717 YZOYWKALZQFQAU-UHFFFAOYSA-N 474.007 5.174 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(Br)cnc5s4)CCC3)cc2)C1 1785810263 ISKQZPYKPKDVKC-UHFFFAOYSA-N 496.430 5.773 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)c(C(F)(F)F)o1 1785880708 URTBCYCIRVWTSZ-UHFFFAOYSA-N 481.474 5.469 30 20 JKED COc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)c1F 1786041281 RYYPQVPSMCNWLX-UHFFFAOYSA-N 471.532 5.086 30 20 JKED COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)CC1 1786550481 KXDYQISMLVMUBS-NJDAHSKKSA-N 487.600 5.041 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CCC2)cc1 1787886727 QFEZXVQOFABCKU-UHFFFAOYSA-N 468.582 5.948 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788367158 CFPQZMPGHHIPHE-AWEZNQCLSA-N 455.967 5.061 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)cc2c1 1789241996 XNFHFAKQVALCBH-UHFFFAOYSA-N 483.499 5.514 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3nnc(-c4ccccc4)o3)cc2)CCC1 1789565933 YWNJKXBFEHOJQO-UHFFFAOYSA-N 458.562 5.477 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)cc2)CCC1 1790015753 XMXHGWMMABWANE-SFHVURJKSA-N 482.609 5.363 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)ccc5c4OCO5)CCC3)cc2)c1 1790763880 MPDJLJFOERBPDO-UHFFFAOYSA-N 491.906 5.141 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ncc(Cl)cn4)CCC3)cc2)cc(C(F)(F)F)c1 1790785627 XLWSKOYGDPLDMO-UHFFFAOYSA-N 499.880 5.082 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1)C(F)(F)F 1791305771 UKASEOLMQBTPSR-UHFFFAOYSA-N 471.479 5.212 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)CCC2)cc1 1791573205 AFRUZILFWHYSLI-AWEZNQCLSA-N 488.535 5.162 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CC(=C)C)CCC2)cc1 1792331293 NLBYRYLGUCKPAU-QFIPXVFZSA-N 481.637 5.030 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc3ccccc3c1)C2 1798417597 PTYWDUZRYCKSOW-OOSCYNTBSA-N 460.694 5.072 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OC)ccc1NC(=O)OC(C)(C)C)C2 1798591928 RJIKAJWQQFWGAU-ACDBMABISA-N 499.652 5.286 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)c(F)c2)c1 1799337488 UCLXICFDGUBVQE-OOSCYNTBSA-N 481.571 5.249 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)ccc1OCC)c1ccccc1 1800507844 PXVOUJAMZVZRBJ-UEQSERJNSA-N 479.020 5.188 30 20 JKED CC(C)(C)CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(C#N)c1 1800634378 HSUPIJPEYZMTPV-WKCHPHFGSA-N 488.470 5.569 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1802493815 YCTJSEIZOOTHTP-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1803083834 KGIBYGOVINMXOS-XUZZJYLKSA-N 474.630 5.088 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2cccs2)[C@H]1c1cccnc1 1803088214 INRGGOFRVQNOHV-JZWVFAODSA-N 469.676 5.098 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1804001464 YBZHWTNWMQKLJF-WDSRZNHGSA-N 471.523 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 1805486069 SMNCBUZDYPOWNV-UHFFFAOYSA-N 476.017 5.014 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4c(Br)cccc4c3)CC2)C1 1806026009 FLCNVFZJGQVEEE-LJQANCHMSA-N 499.449 5.038 30 20 JKED Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)C2)c1 1806528876 DEBUAJCUDMZPSZ-QHCPKHFHSA-N 457.618 5.100 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1808741239 RLAQZESGRFWGGF-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1810175696 XSGVBRHEBVUMHC-SVMVAKDDSA-N 488.415 5.182 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810273335 USXLYLUNXROYBP-DHLKQENFSA-N 482.100 5.106 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810503094 OBJMEUBHOATZQG-GCJKJVERSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1810504415 ZNTPTFWGEXNORR-AVRDEDQJSA-N 491.529 5.552 30 20 JKED Cc1c(C(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)ccc4F)CC3)C2)[nH]c2c(Cl)cccc12 1810731490 GXXXEBFHGQTCGH-UHFFFAOYSA-N 492.982 5.299 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1812756715 QJSYJMBVZLJHRY-CZZAQMAHSA-N 487.003 5.038 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(Cl)cc2Cl)n[nH]1 1814369611 HEZYELGMRCOTDX-YJBOKZPZSA-N 462.381 5.186 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)[nH]n1 1814442168 ZJYMNIOTHAXSRA-FQEVSTJZSA-N 454.619 5.048 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)[nH]n1 1814443109 MMSYWLDRYVUFQA-QFIPXVFZSA-N 463.582 5.198 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)[nH]n1 1814829380 NQICIOGZXJXMGZ-XMMPIXPASA-N 469.589 5.546 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)cc2c1 1818564648 UBECRJQZDJBDEI-DEOSSOPVSA-N 489.696 5.556 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(F)CCCCC3)n[nH]2)c1 1818883208 DVLSNHPTRAJIGO-UTKZUKDTSA-N 451.546 5.015 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985668 ZIWTVZDNTWBYKP-GCJKJVERSA-N 499.537 5.984 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)[nH]n1 1819302091 ZPHQSRTXXIESSU-KDOFPFPSSA-N 462.381 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(F)c(F)c3)CC2)[nH]n1 1819308003 SFTZTKASCONJRJ-PGRDOPGGSA-N 468.548 5.180 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)[nH]n1 1819552330 KFWCOWBVCMOHHV-XMMPIXPASA-N 477.653 5.311 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)[nH]n2)c1 1820484652 GAQFFSKCKMFVTL-NRFANRHFSA-N 472.936 5.036 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)s1 1821241042 KNMSTORPLOYRLQ-GOSISDBHSA-N 498.406 5.034 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(C#N)ccc4F)n[nH]3)c[nH]c2c1 1821274834 PGMSBBZYISWSHD-HJKZNEBBSA-N 496.546 5.230 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4ccoc4c3)n[nH]2)c1 1821462144 UOGHMNQNRBQRBA-HXOBKFHXSA-N 467.529 5.403 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1821925019 LBMSHMKSMHLZPM-YVEFUNNKSA-N 453.345 5.374 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1821925073 MKNVFUIAEOJQRO-FZKQIMNGSA-N 452.452 5.086 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1)c1ccc(O)cc1 1822467344 RFLZILQNAINZMX-CPJSRVTESA-N 496.567 5.365 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c1 1823212996 ODFPMFSFEIPYFI-QRQCRPRQSA-N 479.943 5.449 30 20 JKED Cc1ccc(COCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1C 1823213176 VROGGOSXSKKFJP-QFQXNSOFSA-N 499.615 5.176 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)[nH]n2)c1 1823216227 DWFFMODEYNOAEI-VFNWGFHPSA-N 472.574 5.199 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)[nH]n2)c1 1823217424 SHZDKOXDMRTXQU-GAJHUEQPSA-N 467.529 5.403 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)n[nH]1 1823347251 XIXNCRGEYIMBHG-IFMALSPDSA-N 499.656 5.030 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)cc1 1823686281 VELSQCVJFLETFL-NMOPKGMDSA-N 495.667 5.232 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824052035 YCTWYGVCQILZKX-CUNXSJBXSA-N 489.685 5.291 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2cc(OC)ccc2OC)CC1 1824143691 SBDIDPLHOYFVNE-HHHXNRCGSA-N 496.692 5.415 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2Cl)CC1 1824878692 QADXAOSOLUGXNV-VWNXMTODSA-N 461.021 5.410 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)CC1 1825888537 BSAAOZQARTXMSC-QFIPXVFZSA-N 463.544 5.102 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c1Cl 1828132289 HNJLAIWWLYACFE-NRFANRHFSA-N 493.032 5.368 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2cnn3C)CC1)c1ccccc1 1828313466 SNQLPHXWADRWCO-LBNVMWSVSA-N 496.655 5.004 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828356134 CYXWREDEQKXLCA-PCUWGRHASA-N 481.596 5.560 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828510232 RMWCKDYFIZHSHX-GAJHUEQPSA-N 475.555 5.632 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)nc4ccccc34)CC2)C1 1828713899 MMMBNHKYMDHQJE-QHCPKHFHSA-N 485.550 5.453 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cn2)CC1 1828906359 IATRQZYCNSNKKZ-HSZRJFAPSA-N 474.121 5.019 30 20 JKED O=C(c1ccc2occ(Cl)c2c1)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828997599 MHQFQTFNSHTRCR-JSPCPOQUSA-N 481.980 5.032 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnnc3ccccc23)CC1)c1ccccc1 1829031725 DNCPQGDFIXRNLO-ABYGYWHVSA-N 494.639 5.060 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1830150744 SYFWTNFKTVZXBP-XMMPIXPASA-N 483.056 5.147 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)c1 1830718932 OYVBYUDUFHVPFT-QHCPKHFHSA-N 493.579 5.598 30 20 JKED Cc1cscc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721722 NCXBYMBDKGGSPZ-QFIPXVFZSA-N 456.011 5.129 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sccc3c2O)CC1 1830958999 LVISSTMUFUSBPE-LJQANCHMSA-N 462.562 5.052 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1831371420 ZBEIZEMGGDSKNA-UQBPGWFLSA-N 481.587 5.472 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1831447143 OKNQQZVUUODQAV-GOSISDBHSA-N 477.354 5.577 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1831447395 LXOMNHUSFJOLND-IBGZPJMESA-N 477.354 5.577 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832167694 JCGCSGKVXUWAJS-VWNXMTODSA-N 499.797 5.233 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1Cl 1832558484 SJGWYUKPETZBNR-RUZDIDTESA-N 476.020 5.636 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3cccc(Cl)c3)CC2)c1 1832630133 ZYFXZUANQFALME-FNZWTVRRSA-N 494.035 5.279 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3nc(Cl)ccc3F)CC2)c1 1832633867 FLRWEIGQPFBMRA-JTSKRJEESA-N 482.987 5.048 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)c(F)c3)CC2)c1 1832732385 SCRMTBJCLFBRIS-AREMUKBSSA-N 489.591 5.033 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179176 AUMARBZDJGXJCL-UHFFFAOYSA-O 466.360 6.172 30 20 JKED Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2Br)n1 10267087 JZDWHQHHRXRLHH-NSHDSACASA-N 469.202 5.214 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)n1 10399218 QOHPPHBJWJKHCN-UHFFFAOYSA-N 455.505 5.621 30 20 JKED C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 10497509 WVWDWLQHPPMQKE-GMROUXNLSA-N 468.768 5.050 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2C(F)(F)F)cc1 11157331 BVWUPQQKGPHADY-UHFFFAOYSA-O 465.467 5.884 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(Cl)c(Cl)c1 11158773 HMTIECGUDRKERR-UHFFFAOYSA-O 470.854 6.609 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159811 OHLDWJLKPHZOIK-UHFFFAOYSA-O 464.463 6.573 30 20 JKED COc1ccc(-c2nnc(SCc3cc(C#N)ccc3F)n2C2CCCCC2)cc1OC 11317558 WJOSAQCPMIVHMY-UHFFFAOYSA-N 452.555 5.771 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 14907662 OWXWDPGCAJZWHD-HNNXBMFYSA-N 453.420 5.235 30 20 JKED COc1cc(/C=C(\Cl)c2nc(=O)c3c(-c4ccc(C)cc4)c(C)sc3[nH]2)ccc1OCC#N 18064780 APLJZMLYLCIRNZ-PDGQHHTCSA-N 477.973 5.916 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)c1 20887998 BFEHAJGBGZANKB-UHFFFAOYSA-O 460.406 5.441 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(Cl)cc1Cl 22731077 DCNFSDXCZIRMTP-UHFFFAOYSA-O 466.360 6.172 30 20 JKED C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 23413005 YJYONESWYAPZQF-KRWDZBQOSA-N 461.522 5.094 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccoc1C 23519367 HSECEUQSHQMPPX-GOSISDBHSA-N 460.559 5.944 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 28695911 QAVIAEUJEZHRGX-UHFFFAOYSA-O 492.665 5.716 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 195742412 RIKXAZAIPPRZBW-UHFFFAOYSA-N 460.386 5.206 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 220058144 MJPUNRPSCPIMDF-UHFFFAOYSA-N 487.629 5.518 30 20 JKED C=CCn1c(SCc2nc(O)c3c(-c4ccc(C)cc4)c(C)sc3n2)nnc1-c1ccncc1 255930107 WXMIJYDJOLHWSV-UHFFFAOYSA-N 486.626 5.813 30 20 JKED C=CCOc1c(Br)cc(CNCC(=O)Nc2c(C)cc(C)cc2C)cc1OCC 409522817 WPSCDSZMVWGPBT-UHFFFAOYSA-N 461.400 5.066 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)cc1 409816695 FEEFNMOTNJOFHR-JOCHJYFZSA-N 483.337 5.263 30 20 JKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 476429404 FPAXLSVOAUZFBE-XMMPIXPASA-N 454.530 5.058 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481658362 NLOVZFXUETXRSZ-MRXNPFEDSA-N 460.534 6.111 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)CSc2ccc(C#N)cc2)ccc1Cl 482270428 UQMXOYVPXXSBIR-UHFFFAOYSA-N 486.018 5.158 30 20 JKED Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cn2)cc1C 483940216 JPACJRCSNQFHSB-UHFFFAOYSA-N 483.528 5.466 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 486042977 HUBORSBLYYMGPA-UHFFFAOYSA-N 497.624 5.767 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCCOCc3ccccc3)s2)c(C(F)(F)F)c1 496246848 RBDNYKGXKXZPNQ-UHFFFAOYSA-N 459.493 5.560 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cc1 498312153 UNBSVWYSXVTVSF-UHFFFAOYSA-N 493.532 5.082 30 20 JKED Cc1cc(SC2CCCCC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 498482278 BLKHEGCDOSIMJE-UHFFFAOYSA-N 497.686 5.331 30 20 JKED Cc1csc([C@@H](C#N)C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)n1 499192474 OKZWFZNWVZEMJO-ZDUSSCGKSA-N 450.873 5.288 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1C 499443718 CCSAOZGCNRFZML-UHFFFAOYSA-N 488.595 5.409 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 500086898 AOBSQGSFRXUHKI-GOSISDBHSA-N 455.608 6.465 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C(C)C)c1C 501628266 OIFTTZGMTPQLDE-UHFFFAOYSA-N 468.648 5.312 30 20 JKED C=CCn1c(SCc2nc(O)c3c(-c4ccc(C)cc4)c(C)sc3n2)nnc1-c1cccnc1 503713850 QKIRINHOCBJFPW-UHFFFAOYSA-N 486.626 5.813 30 20 JKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511496985 FXWIYKNJVXAHFR-UHFFFAOYSA-N 478.556 5.059 30 20 JKED C[C@H](NCC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 513192176 FETOYMLXVWZAGW-KRWDZBQOSA-N 472.054 5.207 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccccc4SC[C@@H](C)C#N)cc3C2=O)c1 517457367 PBIDFLHGDZQFFH-KRWDZBQOSA-N 469.566 5.608 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccccc4OC)o3)n2)cc1 517801039 WCKVAFZOQIHMBW-LJQANCHMSA-N 460.511 5.489 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 518155677 YXJSDECSCYYNHC-MGPUTAFESA-N 477.552 5.799 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 518833135 ZYBBCQOEQGKQMD-MRXNPFEDSA-N 465.893 5.299 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCc2c[nH]c3ccccc23)cc1Cl 519388316 JDQOZVYXLUUCKM-HSZRJFAPSA-N 470.960 5.164 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCc1cscn1)c1nc(-c2c(F)cccc2F)cs1 520427298 BNVFYGXYPCPTON-OAHLLOKOSA-N 469.563 6.327 30 20 JKED C=CCN(C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 521326335 NEBIWGQJAOCLEK-MOPGFXCFSA-N 473.606 5.114 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 521740331 XAFNOQIZNVFUPH-HXUWFJFHSA-N 491.535 5.412 30 20 JKED CC(C)COC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccco1 523244797 GZHLYAYGXLZOCQ-GGAORHGYSA-N 479.964 5.057 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524437289 FJESUZRFQKRRFV-XMMPIXPASA-N 461.949 6.168 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 588348936 IMCOAUIYTRGIRT-GOSISDBHSA-N 479.920 5.840 30 20 JKED C=CCn1c(SC[C@@H](O)COc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 588635959 OGYWWTFMZUZZDD-ZDUSSCGKSA-N 454.354 5.109 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 590533573 SFUIZMRZTZGFIE-UHFFFAOYSA-N 480.336 5.287 30 20 JKED CCOC(=O)c1sc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)c(C#N)c1C 603637179 FMITZVAAAXAOBQ-UHFFFAOYSA-N 465.506 5.057 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] 603846369 ULQHXOGJOWJTKM-OAHLLOKOSA-N 458.490 5.968 30 20 JKED CC(C)(C)n1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1C1CC1 603897011 IXLWOVZYOBPZKG-UHFFFAOYSA-N 473.524 5.706 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)o1 603959237 LGOUQDWIXBRKCC-UHFFFAOYSA-N 452.392 5.187 30 20 JKED COc1ccc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)n2)cc1 603992262 OLQJFCWOCXENAM-UHFFFAOYSA-N 456.527 5.015 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 604100715 LNQXOYGVZOZTKV-UHFFFAOYSA-N 488.956 6.274 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(Cl)cc1 604139769 XJDNKGHPECNMDQ-XMMPIXPASA-N 461.949 5.191 30 20 JKED Cc1cccc(C)c1OC[C@@H](O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604428809 AZDXCBNKYJJISU-JTHBVZDNSA-N 463.965 5.174 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Oc2ccccc2)cc1 608797411 JYDJSLJAUONARK-LJQANCHMSA-N 478.508 5.354 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 609061415 BVAVPRIKDPTCIH-UHFFFAOYSA-N 473.985 6.404 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 609061734 WWFTVKAMZMVPFR-UHFFFAOYSA-N 483.955 5.561 30 20 JKED CCCC[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)C(=O)Nc1cccc(N2CCCC2)c1 609083386 NYWGUSBDDCZMMO-HXUWFJFHSA-N 485.535 5.079 30 20 JKED O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517991 SZKCFULFANBWKV-LJQANCHMSA-N 487.375 5.263 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)cc1 642281348 BTMJGSKEZDDASM-QHCPKHFHSA-N 487.606 5.434 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281953 VTDWKOXMGQBIIJ-ICSRJNTNSA-N 451.935 5.071 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(C)nc21 725960529 OPWNFLRWOUIKAY-JKSUJKDBSA-N 479.606 5.097 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CC(F)(F)F)c1cccs1 726421860 QFEKFYCXPCWPDM-WJNXEQPASA-N 475.945 5.354 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(CC(C)C)cc1 726571549 XASMYYYFFBITIQ-UHFFFAOYSA-O 477.053 6.583 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc(OC(C)C)cc3)C2=O)cc1OCCCC#N 726631002 ZMECYHITXOJBHE-PXLXIMEGSA-N 468.600 5.571 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(SC)nc2)c1 727094548 POGIWJQRFBVXOI-UHFFFAOYSA-N 474.007 5.091 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 727589479 VGSBVJQWSFKUEA-ZJSXRUAMSA-N 466.368 6.254 30 20 JKED Cc1csc(SCc2c(C(=O)OCCNc3ncccc3C#N)oc3ccccc23)n1 727777918 QEWUKSCRJKDXLR-UHFFFAOYSA-N 450.545 5.026 30 20 JKED CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccc1Cl 728005443 LJZGFYBIPPLVNG-UHFFFAOYSA-N 498.004 5.120 30 20 JKED O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cc(C(F)(F)F)ccc1F 728121313 FHUCVZDNUDTTSD-UHFFFAOYSA-N 465.369 5.022 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 729631030 DGKGBCXTZSFTNV-DQEYMECFSA-N 498.583 5.654 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ncccc2C)cc1 729634827 UZIDMEVGBATCDZ-DEOSSOPVSA-N 488.613 5.258 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)[n+]2ccccc2)c1 730439804 BFAPQVYBRVDHQK-UHFFFAOYSA-O 463.582 5.858 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CCC3)C2=O)c1 730460318 XMVVYHZZTAXGOO-IBGZPJMESA-N 491.585 5.523 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 731076125 XCMHWVAXKVQUKM-AWEZNQCLSA-N 489.384 5.369 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 731080098 YIGCUKUAMSUXTC-CQSZACIVSA-N 489.475 5.408 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)cc1F 731312683 QPIUWAVVDCRYTA-HXUWFJFHSA-N 499.589 5.070 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)cc2)c1 731312846 QJGXLCQHBTWGSI-QFIPXVFZSA-N 481.524 5.139 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 731345433 UYELCPOWAFRYMD-HRAATJIYSA-N 471.513 5.215 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 743524639 LPJFESJNMARHMS-VGSWGCGISA-N 462.550 5.251 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 743678143 FFUMTLMRYKMULQ-UHFFFAOYSA-N 458.917 5.516 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(CCCCOCc2ccccc2)C1=O 747601834 HPMIRVNTGGPPRG-NRFANRHFSA-N 488.053 5.021 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cscn2)C1=O)Nc1ccccc1F 747602475 MOEBKJKWXQIJIU-QFIPXVFZSA-N 490.585 5.596 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C=C\c3cc(C(F)(F)F)ccc3Cl)CC2)c1 749147965 UUDDLENYTNCITH-DAXSKMNVSA-N 461.871 5.121 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 750303470 MEHQRCLEDDPCJV-QHCPKHFHSA-N 485.462 5.085 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1 750396581 BCNCVTWJALPKTE-NVXWUHKLSA-N 480.544 5.629 30 20 JKED Cc1oc(-c2ccco2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 750398466 VSMJBOUDCZAYLA-CQSZACIVSA-N 458.326 6.092 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CC(F)(F)F)C1=O 799214551 CBZGGWHPYZMWTF-GOSISDBHSA-N 499.942 5.488 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837301614 MGNYMRLYKNAAFX-GBXCKJPGSA-N 472.614 5.728 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1C 838486791 SHJSJNAQNZFMMW-HSZRJFAPSA-N 477.561 5.303 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccc1 838519848 OXVTXUCOHFFPEZ-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C[C@H]2CCCO2)C1=O 838544571 AHDVTUVFEGCNOT-QRWLVFNGSA-N 493.963 5.066 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc3c(cc2Br)OCCO3)cc1 864038023 GOGMTKHHCWUKFG-UHFFFAOYSA-N 481.371 5.637 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O 914537784 FCWIWUPDCVYPKG-QUCCMNQESA-N 475.586 5.220 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1C 914547485 YEIIHZXYJDBNKM-YKSBVNFPSA-N 472.614 5.098 30 20 JKED CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccc(S(C)(=O)=O)cc2)cc1 914835506 GWQZSLHYOCBASC-UHFFFAOYSA-N 474.586 5.176 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915085139 HBBFJQMQYAXKLS-XMMPIXPASA-N 454.555 5.267 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)sc2nc3n(c(=O)c12)CCCCC3 915088262 MJWJFLVIVRIAIG-NRFANRHFSA-N 468.582 5.401 30 20 JKED C=CCn1c(SCC[S@@](=O)c2ccccc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 915993951 VOBDQNWUTGAYQP-JGCGQSQUSA-N 484.643 5.658 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 916905812 FMPZLTMGTNTWEJ-NRFANRHFSA-N 482.005 5.390 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)c1 917039848 FRIZQLSADZMPTC-LJQANCHMSA-N 495.507 5.306 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(NC(=O)c3ccccc3C)CC2)c1=S 917445757 XGMAYSZKLOPVHA-UHFFFAOYSA-N 482.053 5.081 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)cc1 917657778 QLFLXYRDZPATOC-LJQANCHMSA-N 477.417 5.182 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)c1 917678591 ZRWOBDPWKRWHFN-AKFKNWHVSA-N 494.636 5.030 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 917712708 GXMFKTZOLWZMTE-KOSHJBKYSA-N 490.604 6.066 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c2ccccc21 918046664 DNYWVYJHNFCWNY-UHFFFAOYSA-N 466.497 5.239 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccccc4Cl)o3)n2)cc1 920140073 AYKOWSMHUHUTKS-SFHVURJKSA-N 458.930 5.799 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@H](C)c2ccc(C)s2)C1=O 920172371 HMUCTHWLKNXDJR-OPAMFIHVSA-N 497.617 5.926 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(C3CCCC3)C2=O)c(OC)c1 920172784 JXNSQGFLSCMGHJ-XMMPIXPASA-N 493.629 5.095 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807005 VLXRBHOSOZKTPG-UTKZUKDTSA-N 492.551 5.129 30 20 JKED N#CCCn1cc(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 920907913 OPDVKQMTZSVNED-UHFFFAOYSA-N 477.864 5.037 30 20 JKED COc1ccc(C(=O)/C=C/c2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1Br 921261618 MYFFZTPMFDXLPB-HWKANZROSA-N 490.228 5.212 30 20 JKED C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N(C)Cc1ccc(Br)o1 1507874249 ZKTYFVMXEMQAQU-UHFFFAOYSA-N 481.778 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[C@H]2C1 1784177973 BWENWILPSVQNGE-BIHRQFPBSA-N 475.073 5.052 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3Cl)cc2)CCC1 1786623644 QXYZQVSUZIQSMV-UHFFFAOYSA-N 458.961 5.139 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C(F)(F)F)cc2)CCC1)C(F)(F)F 1787399427 NCEWAEYYXGRYRB-UHFFFAOYSA-N 460.374 5.473 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4csc5c4CCCO5)cc3)CCC2)c1 1788397472 DITJAMUQSVDGOS-UHFFFAOYSA-N 487.581 5.015 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)cc2)CCC1 1788986178 LWZKDJABONMVED-UHFFFAOYSA-N 455.530 5.113 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(N4CCCC4)ccn3)CCC2)cc1 1789453925 ILTTZCMHCKPQBE-DEOSSOPVSA-N 458.606 5.198 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)CCC2)cc1 1789454030 LNSIBRFRLVHMLL-MZYLBHOOSA-N 499.627 5.236 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@](C)(NC(C)=O)c3ccccc3F)CCC2)cc1 1789456001 IGSOLZDKSVKMBF-NEKDWFFYSA-N 491.607 5.080 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1789456902 YUQBTUSDRNPGSL-FYYLOGMGSA-N 483.653 5.582 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ncccc4C(F)(F)F)cc3)CCC2)cc1 1789854213 XEGRIMQRJJMPMQ-UHFFFAOYSA-N 464.447 5.034 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCC2)cc1 1790567840 QDUKKIZWPIIJDZ-HNNXBMFYSA-N 479.474 5.393 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ncsc4Br)CCC3)cc2)cc1 1790707890 VNTWLMQRPZSMMQ-UHFFFAOYSA-N 495.402 5.033 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)c1 1790929190 HWHYWTRZAIRSQN-UHFFFAOYSA-N 479.536 5.391 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3sc(-c4ccccn4)nc3C)CCC2)cc1 1791247666 FLBNDONGNCKYEU-QGZVFWFLSA-N 460.603 5.473 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)cc2)CCC1 1791410289 HLFNWWHTHQLIKG-KZTDQWPFSA-N 495.664 5.226 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Nc4nccs4)CCC3)cc2)c1 1792123999 XLFFAAGRTISFHT-QZTJIDSGSA-N 473.602 5.018 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Br)cc2s1 1798085917 YOYUMEWGGYEGJN-REPLKXPHSA-N 473.436 5.109 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccccc4)cc2)C3)c1Cl 1799305065 BBBQELUOPOLQBY-KOUNCHBCSA-N 485.971 5.570 30 20 JKED COc1ccc(F)cc1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(C#N)CCC2)C3)c(Cl)c1 1799319094 KUUUHHSNCCEAKN-ACDBMABISA-N 495.982 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2oc(-c3ccccc3)cc2[nH]1 1801079187 KMFVOTCKNYFHIW-CIAFKFPVSA-N 457.574 5.448 30 20 JKED Cc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1804037349 YFLYDPXUPQZNOQ-WNJJXGMVSA-N 489.736 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(F)cc2Cl)[C@@H]1c1cccnc1 1804065623 XIDYLDMQXKEJAU-RDPSFJRHSA-N 472.004 5.115 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)C1 1806067065 FVFBGQYFGNNAFJ-XMMPIXPASA-N 490.673 5.029 30 20 JKED CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1806274389 JXIMYQAJSNMHHL-JCYRPKCISA-N 487.003 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(F)cc3C(F)(F)F)C2)CC1 1806506582 IXWXZHJVVZNVQF-OAQYLSRUSA-N 480.546 5.387 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1 1807564855 JROLRLPMAZVIJC-WNCULLNHSA-N 472.633 5.194 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc3ccccc3c2)[C@@H]1c1cccnc1 1807891762 HPZYXYSGYSXKNH-SVEHJYQDSA-N 476.580 5.193 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1808463163 NGTQZSLCCMDDSA-AZGAKELHSA-N 484.600 5.133 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 1808982219 TULXJWXDQIBPHJ-KFACBJOOSA-N 488.591 5.495 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809491207 QRISPBCKVSXALA-NRAWLDMYSA-N 471.601 5.539 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(C)c3[nH]2)[C@H]1c1cccnc1 1809750795 NLICSHHPCZTGCO-WIOPSUGQSA-N 458.606 5.183 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1810271724 JHNAAPSERIYNIY-SQHAQQRYSA-N 487.676 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1810492473 OIFMOTFJVYAQRU-OZXSUGGESA-N 465.613 5.242 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccsc2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811250726 BNIDXTBQKVNAHT-XTEPFMGCSA-N 491.616 5.176 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1811354863 QBTHXQZNUUXJPU-MHXSTTJDSA-N 494.639 5.297 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3c(Cl)cccc3Cl)[C@@H]2c2cccnc2)cc1 1811361582 LGSDHCAKNQPYHA-HYBUGGRVSA-N 493.394 5.088 30 20 JKED CCCOc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1812026215 BKWXEVWYJVOSNH-UADAULAISA-N 496.611 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1812072457 TZUQUTMYRMBYMG-SQJMNOBHSA-N 491.035 5.595 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3[nH]c(C)cc3c2)[C@H]1c1cccnc1 1812274161 NHKBDZWSGCLVHF-RCZVLFRGSA-N 458.606 5.183 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[C@H]1c1cccnc1 1812448931 QJUBJWKOPNQDIA-ZJSFPPFMSA-N 499.577 5.190 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1813828250 ZSLYJMMYLBUGEB-QPPBQGQZSA-N 451.998 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)n[nH]1 1815157022 OZAADHVYBUIVKB-MQSCRBSSSA-N 464.610 5.207 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](S)C(C)C)n[nH]1 1815244270 ZUQIIQOZDMKLPN-QPPBQGQZSA-N 477.634 5.040 30 20 JKED O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cc([C@@H]2CCCCN2C(=O)C(F)(F)C(F)F)[nH]n1 1815534262 UZKLYBXGZOAHQY-KIUWMYQTSA-N 492.395 5.034 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)c2[nH]1 1818653310 IQMXYIFIASYUOF-MZNJEOGPSA-N 480.572 5.446 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4nc(C)ccc4c3)n[nH]2)c1 1818676502 YXUQEMFLDPPBGO-RUZDIDTESA-N 478.556 5.066 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971919 WVPHEAJJOVMPGJ-QFIPXVFZSA-N 463.969 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1819309264 QCWZQXVSXHTXIO-WIYYLYMNSA-N 496.409 5.118 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1819363591 HQWHYJIUHFSHEZ-AEFFLSMTSA-N 487.025 5.157 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCNc2ccc(C)cc2C)n[nH]1 1819461744 GZJZVENHXGPKLZ-XMMPIXPASA-N 463.626 5.289 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)[nH]n1 1819552620 SFPNAFUGHSCVMS-JOCHJYFZSA-N 465.573 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)[nH]n1 1819552632 TVPTWFCDSUDVNW-NRFANRHFSA-N 461.566 5.363 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCC3)n[nH]2)ccc1Br 1820903896 PGMCPTNICPQZCI-OGECGYFKSA-N 496.409 5.096 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(CC=C)CC=C)[nH]n1 1820914766 ONTWVTAAJNAHHF-IRLDBZIGSA-N 499.656 5.030 30 20 JKED Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1821104663 KXCLTVVNAUXFRM-FQEVSTJZSA-N 465.916 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c1 1821325844 PSZQYQGEXQQORO-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)[nH]n1 1821922128 ZULRCORAKRRCDJ-KSFYIVLOSA-N 479.531 5.268 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)n[nH]2)c1 1822330144 YKFLHRCFAMBZHA-FQESCDNSSA-N 467.573 5.146 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(Br)s2)n[nH]1 1822728567 VLMBILIHJPHKQC-IYPOZPNPSA-N 489.439 5.133 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3Cl)[nH]n2)cc1C#N 1823292957 WXTLDJDYYHIVAY-JOCHJYFZSA-N 491.979 5.342 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1823668562 AJNSGOMLVMXXCT-JIPXPUAJSA-N 496.611 5.516 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1823887943 RWGBBTNPQACVFR-NRFANRHFSA-N 464.437 5.095 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1824393236 ZUCDPWDNHNBNTP-FNZWTVRRSA-N 493.648 5.040 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 1824499200 KAZOBWZPIAZRKY-DANFDKMISA-N 468.682 5.419 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1824959337 WVHFKSDJJHDHNP-DEOSSOPVSA-N 486.081 5.349 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 1824961680 XRWQHGZSOIAVNI-FQEVSTJZSA-N 499.902 5.255 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)ccnc3Cl)CC2)c1 1825372239 WFBDETYZDKWHFP-VGSWGCGISA-N 482.987 5.048 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1825539919 IRJJAPKCZCWVTL-OAQYLSRUSA-N 495.998 5.338 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827334783 WDGSNQZODPCZFT-HHHXNRCGSA-N 489.660 5.273 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)CC1 1827711959 MCRTWGRDTVNLJA-UIOOFZCWSA-N 474.649 5.182 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827997773 XSXXVTZDZRXMED-NFQMXDRXSA-N 487.669 5.453 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1)c1ccc(O)cc1 1828317120 HPSZFHJWTSRMPU-NAKRPHOHSA-N 497.639 5.304 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc12 1828581701 QLGXYQCOALPNEJ-RBTNQOKQSA-N 482.628 5.651 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1828903707 DHZGHQQTPUNMOJ-RUZDIDTESA-N 484.782 5.450 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c1Cl 1829671575 HBIDSBNCPDLKDW-DEOSSOPVSA-N 492.982 5.379 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c1 1829952802 YTBTVUATGKBOFY-LJAQVGFWSA-N 492.623 5.476 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)cc1 1830012982 JOFPDELPVMJTHR-VWLOTQADSA-N 464.009 5.078 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1831371509 VYTMUWVYUVPZGB-JPYJTQIMSA-N 454.014 5.334 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1831446224 WOEHTXFWOBKXIA-HXUWFJFHSA-N 489.529 5.533 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1)C(F)(F)F 1831452516 FSJZWPMASQRJDM-HXUWFJFHSA-N 467.919 5.173 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1C#N 1831481684 FUIRUNMYSJWQJN-VKFUJIGZSA-N 491.676 5.405 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1831840775 PZHDXNXPAGIFQX-KBXCAEBGSA-N 495.508 5.215 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1831859717 IPRJIMVXBTXBRH-HXUWFJFHSA-N 456.936 5.097 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1 1832630119 ZLQBIFNIYKWFSX-SIBVEZHUSA-N 496.026 5.582 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cccc1C(F)(F)F 1832700239 QILRMNKHSQVHQA-RUZDIDTESA-N 497.561 5.362 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1832830096 YIYSEMLOWUOOHR-WIOPSUGQSA-N 480.052 5.274 30 20 JKED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(CCCCC)cc3)CC2)CC1 1836663879 LUPDSUKKOBJHGW-OUKQBFOZSA-N 498.733 5.350 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)CC1 1838750792 TVZMJNGWYOWFOL-OAQYLSRUSA-N 487.084 5.363 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc([C@H](F)c4cccc(F)c4)c2)C3)c1 1846829582 APMLQKSWVBBULJ-HRFSGMKKSA-N 499.561 5.642 30 20 JKED CC(C)Cn1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl 9847685 JACYPEDZDUYIPN-SZNDQCEHSA-N 468.454 5.443 30 20 JKED COc1cc2c(cc1NC(=O)COC(=O)c1cc(C3CC3)nc(SC)c1C#N)oc1ccccc12 10711311 ARJBZCPQUYEHBL-UHFFFAOYSA-N 487.537 5.256 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(C)c2)c1 11085014 YLDKSSLOSLHHLT-UHFFFAOYSA-O 454.413 5.713 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 11249569 IJLIOMPVYDXIEA-UHFFFAOYSA-O 467.605 6.724 30 20 JKED COc1ccc(Cl)cc1-n1c(SC[C@H](C#N)CCC#N)nnc1-c1cccc(Cl)c1 15237286 ZJVJKNXPQLMECD-AWEZNQCLSA-N 458.374 5.785 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(CO)c1)c1cccc(Cl)c1 15247957 ANCFBJNDWURHBA-UHFFFAOYSA-O 466.797 5.478 30 20 JKED CCc1cccc(C)c1Nc1nnc(SCC(=O)Nc2ccccc2SCC#N)s1 16328184 NVIUQKDMAVWNHX-UHFFFAOYSA-N 455.634 5.499 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccnc2Cl)nc2scc(-c3ccc(C)cc3)c2c1=O 16713226 DWWPCZHHWMYGQM-HNNXBMFYSA-N 497.045 5.787 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccoc1C 16726741 IDBRWQKHGPXNSK-CQSZACIVSA-N 461.385 5.223 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)s2)cc1 19618706 ZVDMMMKJAIQVTQ-UHFFFAOYSA-N 481.599 5.125 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 21849033 FMZKGXRDBVQROS-INIZCTEOSA-N 469.998 5.054 30 20 JKED Cn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nc2scc(-c3ccccc3)c2c1=O 22354142 UTZQRNYAKOOELO-UHFFFAOYSA-N 495.029 5.354 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 23023188 DPHHCWGFWBGBPV-UHFFFAOYSA-N 461.513 5.051 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 23592303 DWICFFHZEXGQMS-LIRRHRJNSA-N 490.507 5.115 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2c(C)cccc2C)cc1 28695818 SGHUKPQQOHCDQW-UHFFFAOYSA-O 462.639 5.742 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccnc(Oc3ccccc3)c2)cc1OC 30901755 XVGZHKUPCIZKSN-UHFFFAOYSA-N 455.352 5.500 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nc2cc(Cl)ccc2c1=O 36807029 PUVRFWLYBMGLEB-UHFFFAOYSA-N 497.045 5.474 30 20 JKED COc1ccc([C@@H](CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)NC(C)=O)cc1 46861605 HHRBHFFBMLCRFA-ILBGXUMGSA-N 461.949 5.210 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC3(c4ccc(Cl)cc4)CCCC3)CC2)c1 409536910 LLVMPMAISDUWQB-UHFFFAOYSA-N 464.997 5.084 30 20 JKED C=CCN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1nc(C(=O)OCC)cs1 409816581 NWIAJQFZXIRVFC-UHFFFAOYSA-N 482.949 5.252 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cc(F)c(F)c(F)c1 482730486 GKQFUTSWODRPJO-UHFFFAOYSA-N 456.317 5.766 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)c2)cc1 486974035 GXAUTKYCRGENSZ-HSZRJFAPSA-N 463.331 5.327 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 490007388 WJIOURGIRXVNEY-HSZRJFAPSA-N 469.994 5.027 30 20 JKED C=CCN(C(=O)CSc1ccc(Cl)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491079124 ZDNVQHSUELZURU-UHFFFAOYSA-N 479.048 5.178 30 20 JKED COc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OCc1cccnc1 497952166 RHFLTLJEUNWVSQ-UHFFFAOYSA-N 465.509 5.372 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1COCc1ccccc1 499981558 RWKZRAWDTJCODI-UHFFFAOYSA-N 495.373 5.454 30 20 JKED Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 501622412 VUSQBRMIQVHWKG-UHFFFAOYSA-N 479.627 5.299 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(-n2c(C)cnc2O)cc1 502392544 NYHOGDXUGGKODB-MRXNPFEDSA-N 487.373 5.247 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 502614050 JCIIBJXQBMOSRW-FQEVSTJZSA-N 463.347 5.366 30 20 JKED N#Cc1cn(Cc2nnc(-c3c(Cl)cccc3Cl)o2)c2ccc(Br)cc2c1=O 502846366 XRQDOYHEJIKPTK-UHFFFAOYSA-N 476.117 5.041 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cn3cccn3)cc2)cc1Cl 504087215 VTVKIQBUPQAXAH-DEOSSOPVSA-N 455.949 5.562 30 20 JKED CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCSc2ccc(Br)cc21 504572143 FBALRDHAIWTBDM-HXUWFJFHSA-N 483.387 5.802 30 20 JKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 509212199 QECFQENSUXEZOE-GOSISDBHSA-N 474.586 5.369 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 512150179 VDVRZAGGIWUVFC-UHFFFAOYSA-N 473.580 5.195 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2s1 513661960 XLCXFXXIVVBODE-SFHVURJKSA-N 476.355 5.801 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)nc2ccccc21 513677241 SWAQAZOKCLEVSA-NRFANRHFSA-N 472.508 5.116 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCCCC1 513677249 SYADCSHVTBBZHZ-LJQANCHMSA-N 463.628 5.670 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)nnc1[C@@H]1COc2ccccc2O1 515182991 QDCPLLMBEVHNDY-BJKOFHAPSA-N 490.629 5.073 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1nc(-c2ccccc2)cs1 515542334 UNKWSCLZXDRSFQ-ZJSXRUAMSA-N 465.534 5.242 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 518158744 MLMNKVKJQNOJQH-OPAMFIHVSA-N 456.011 5.578 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)cc2)c1 518259143 DFNUZDQIKSXFIS-UHFFFAOYSA-N 496.567 5.124 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3N(C)C(=O)c3cccs3)n2)cc1 518515523 YISAMLHKCCHOHH-IBGZPJMESA-N 473.579 5.647 30 20 JKED Cc1ccc(N(CCC(=O)Nc2ccccc2SC[C@H](C)C#N)S(=O)(=O)c2ccccc2)cc1 518660284 OTMXYQZEXXTBDS-OAQYLSRUSA-N 493.654 5.471 30 20 JKED CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518673754 FNOWMGWDRSTGCH-OAHLLOKOSA-N 479.524 5.314 30 20 JKED C=CCN(C(=O)Nc1cccc(OCc2cccc(F)c2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518751492 VOINOIMAVSSJSP-LJQANCHMSA-N 472.524 5.162 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC1CCC(c2ccccc2)CC1 519442381 ISROYQPUTLYEFT-UHFFFAOYSA-N 489.563 5.740 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cn1 519946863 IHDNYVNTJOCDSE-UHFFFAOYSA-N 481.556 5.837 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2Br)on1 520639042 QXYVWRQPMZGCCL-UHFFFAOYSA-N 470.323 5.236 30 20 JKED CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](C)Cc1ccc(OC)cc1 521808519 IUWNWAJKRMRHFO-NRFANRHFSA-N 457.574 5.825 30 20 JKED N#CCCn1cc(C(=O)N2Cc3ccccc3-c3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 523620862 VRQCSUILJUVFPU-UHFFFAOYSA-N 463.497 5.195 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 524427256 KBHYYQOGBALCEK-UHFFFAOYSA-N 482.367 5.350 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 577402560 TZRZPFDKBXLPDD-HNNXBMFYSA-N 487.553 5.270 30 20 JKED N#C[C@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 589019187 ORFLUEBXABFYEA-CQSZACIVSA-N 455.486 5.765 30 20 JKED CCOc1ccc(C(=O)c2ccccc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OCC 591257428 LYIREMODIFYGIT-UHFFFAOYSA-N 498.579 5.270 30 20 JKED O=C(Nc1cc(F)c(F)cc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 594497362 UCCIIXBJHUNXQY-UHFFFAOYSA-N 470.707 5.547 30 20 JKED CSc1nc(O)c(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)cc1C#N 603674227 TZODWFJQZBYKLL-QFIPXVFZSA-N 492.670 5.095 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C(c1ccccc1)c1ccccc1 603719649 PNUNRLZDIIEQLV-QFIPXVFZSA-N 489.575 5.413 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1C 603897732 MUKJVOOIUOIQPH-LJQANCHMSA-N 497.068 5.199 30 20 JKED N#Cc1c(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)sc2c1CCCCCC2 603996424 PEZVLLDFZXOJFR-UHFFFAOYSA-N 467.598 5.838 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2Cl)c1 609068341 DOOAMPADSQDWGO-UHFFFAOYSA-N 478.313 5.153 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)c2)cc1 609206676 YPGRMCQQXWYVRD-UHFFFAOYSA-N 467.525 5.865 30 20 JKED CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCN(CCc2ccccn2)CC1 609253441 LBHGUVHJISAIOF-SANMLTNESA-N 488.035 5.561 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)nnc1-c1ccccc1OC 613933376 TUTWYNLMRWFMKR-UHFFFAOYSA-N 497.624 5.565 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC 615078001 JPCUAJYFNRSBEN-UHFFFAOYSA-N 491.444 5.587 30 20 JKED O=C(NCc1cc(F)ccc1Br)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 615772575 NJPZTSBVMNAQHE-UWVGGRQHSA-N 465.207 5.297 30 20 JKED Cc1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2nc(C(F)(F)F)ccc12 618303693 ONTUJZCTVCQDQR-DTORHVGOSA-N 464.353 5.826 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1NC(=O)c1ccccc1 642282171 QKTDWAFUEZZSPN-GOSISDBHSA-N 479.483 6.366 30 20 JKED CC(=O)N(CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)Cc1ccccc1 726322353 SFUZWFBKWSOZIY-LJQANCHMSA-N 472.397 5.732 30 20 JKED N#Cc1ccc(NC(=S)Nc2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1Cl 726433584 JVZJHPWCQQWHJB-UHFFFAOYSA-N 477.398 5.475 30 20 JKED CCOc1cc(Br)c(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OCC 726474483 HADKOYLTTGIENB-UHFFFAOYSA-N 454.777 5.580 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1oc2ccccc2c1CSc1cccs1 726754882 VVAMRGLGNYCQSN-UHFFFAOYSA-N 469.591 6.536 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 727235679 QKABBIQWIHEKRC-VXGBXAGGSA-N 452.404 5.751 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)cs1 727267395 SODNRRPVLYUTHZ-GHRIWEEISA-N 475.570 6.303 30 20 JKED C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1Cl 727350687 CRUNFEYRNINYPC-IBGZPJMESA-N 481.927 5.355 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728149476 JCOHUNAJXCEMOU-OAHLLOKOSA-N 494.363 5.210 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2cccc(C)c2C)n1 728423046 JFNFCRLMCYJXBQ-DEOSSOPVSA-N 483.597 5.039 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cscn3)C2=O)cc1 728424505 CLJVWTNANJFYKZ-HSZRJFAPSA-N 497.605 5.328 30 20 JKED O=C1/C(=C/c2nccn2CC(F)(F)F)CCc2nc(-c3ccc(Br)cc3)sc21 728698613 OTAPABAQVGLKDC-FMIVXFBMSA-N 468.298 5.544 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(CCCCC#N)C2=O)cc1 728780020 MPLZMFZBOTTYKL-HXUWFJFHSA-N 489.428 5.956 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1scnc1C 729144058 UIHLENCCULNPFY-IBGZPJMESA-N 486.569 5.199 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCC2)C1=O 730461570 PWJNCIQMXQTYNR-IBGZPJMESA-N 478.401 5.515 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CCC2)cc1F 730463263 VTAWZAIOAKSAGE-LJQANCHMSA-N 461.946 5.001 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730718816 QHPJZYMZOLZQHA-NRFANRHFSA-N 482.993 5.359 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1 730942216 JJDKYHWHKQORBJ-JTSKRJEESA-N 462.550 5.251 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731067916 LNQQMWDDTFRYGR-AWEZNQCLSA-N 469.563 5.447 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)cc1F 731307186 DFPXMAKYMDGVFM-HSZRJFAPSA-N 499.608 5.149 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 731349010 GHSXZMSTKLGAAJ-WNZNBFKUSA-N 477.611 5.746 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cs1)c1ccc(F)cc1F 745998444 KWIXVUMVMZNKER-GXDHUFHOSA-N 476.504 6.794 30 20 JKED CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(S(=O)(=O)C(F)F)c(OC)c3)o2)cc1 747066817 PDHJBBMTMPGNSC-PKNBQFBNSA-N 490.480 5.024 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747598816 FDRPWAIAGRHRKH-SFHVURJKSA-N 492.960 5.235 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 747803621 KJOVRPRVRDNIOB-ZJSXRUAMSA-N 464.635 5.333 30 20 JKED C=CCN(C(=O)COC(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747903420 KQEKTUZMLNVVHQ-UHFFFAOYSA-N 472.353 5.365 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799220279 BWJJTVFUDBVNGN-HNNXBMFYSA-N 459.852 5.002 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)c(Cl)cc3OC)C(=O)N2CC)cc1 799220378 ATLZEVVGCJSYTQ-FQEVSTJZSA-N 475.998 5.036 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCc2cc(C#N)ccc2F)cc1 808382843 NCHPHHDFSMZXQI-JJFYIABZSA-N 471.513 5.412 30 20 JKED C[C@H](OC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F)c1nnc(-c2cccc(Cl)c2)o1 809684466 CYBFZTSXNMYRGL-PRDAAYKISA-N 465.815 5.365 30 20 JKED O=S1(=O)CCC(=NNc2ncnc3sc(-c4ccccc4)cc23)c2cc(Cl)ccc21 812393225 JLKFGWQTQDGQKO-UHFFFAOYSA-N 454.964 5.005 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N([C@@H](C)c2ccccn2)C1=O 837705328 KJEDRZMHRGSDCG-KSFYIVLOSA-N 495.004 5.465 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3OC)N(Cc3ccco3)C2=O)cc1 838522555 ABMQYZVGOIPXLY-HSZRJFAPSA-N 493.585 5.238 30 20 JKED C=CCOc1ccc(C(F)(F)F)cc1-c1nc(Cc2coc(-c3ccc(OC)cc3)n2)no1 904330319 INJLMXHZCGDQCQ-UHFFFAOYSA-N 457.408 5.575 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914546394 OHTMYOVTKFHPCB-IBGZPJMESA-N 453.564 5.356 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1CCCC(C)C 914557654 RNGSPIDMVREUAC-QFIPXVFZSA-N 469.607 5.100 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(C#N)cc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916134232 HZHJHLQUDZZHKO-UITAMQMPSA-N 486.480 5.207 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(C3CCCC3)C2=O)c(OC)c1 916206415 YNSFCLGKFLUEIT-QHCPKHFHSA-N 481.618 5.224 30 20 JKED Cc1sc2ncn(N=Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 916283536 GINQPZOUVFVOOP-UHFFFAOYSA-N 473.558 5.214 30 20 JKED CCCCc1nnc(S)n1N=Cc1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 916301865 CCILEHDBDAQUCZ-UHFFFAOYSA-N 464.513 5.398 30 20 JKED CCc1ccc(-c2nn(-c3ccccc3C)cc2C=Nn2c(S)nnc2[C@H]2CCCO2)cc1 916366186 CFSGDBRILBOTDE-JOCHJYFZSA-N 458.591 5.024 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 916910248 SAQRZQBINFFRJZ-RCZVLFRGSA-N 495.579 5.296 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916913551 WVAZGZODVGZHSI-GOSISDBHSA-N 486.742 5.860 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 916914007 UAVSVFGWSDOZTN-HXUWFJFHSA-N 453.420 5.416 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nncn3-c3ccc(C)c(C)c3)n2)cc1 916972868 QORSMDHSPBYENW-FQEVSTJZSA-N 459.600 5.285 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1nc(-c2ccc(Cl)cc2)cs1 916975386 CCMYADBFNBJXLS-HOCLYGCPSA-N 456.354 5.346 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(OCCCC(=O)O)cc2)cs1 917562321 FCQRGUXQHOBWGT-JYRVWZFOSA-N 484.961 5.621 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1 917677397 DRSZEVVCIMINDS-IBGZPJMESA-N 457.527 5.187 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)cc1 917678308 RXDVVPLYUBAZAR-GOSISDBHSA-N 497.564 5.137 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 917701028 QEVSTTPQOBIDAG-UQBPGWFLSA-N 480.593 5.956 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1 919714247 XOKDROSWRCYPIL-SFTDATJTSA-N 464.352 5.640 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 920101522 CHCMEQDCGAWHPW-QGZVFWFLSA-N 488.897 5.352 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)F)cc2)s1 920171360 UUNDTKQIMKJLLI-UGSOOPFHSA-N 479.574 5.019 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)s2)n1 920676883 SXKBVERUTWEPKI-UHFFFAOYSA-N 465.021 5.528 30 20 JKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2oc3ccccc3c2CSc2cccs2)c1 921281142 OBSKUDJYXGJVBQ-UHFFFAOYSA-N 460.580 5.479 30 20 JKED CCCN(Cc1nc(O)c2sccc2n1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1351979010 VPNUZAMNQUEYAK-UHFFFAOYSA-N 458.543 5.308 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccccc3)c(F)c2)C1 1780116659 YNPIJLXKJHHNKQ-FHFHAPQWSA-N 490.619 5.389 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCCC(F)(F)F)CCC2)cc1 1786545274 XBIDNHGCWBLFJC-IBGZPJMESA-N 497.558 5.323 30 20 JKED Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)n1 1787325949 PGEIRJYQOSCZGI-UHFFFAOYSA-N 468.557 5.110 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCCCC(F)(F)F)cc4)CCC3)cc2)CC1 1787881646 SUABJCTXWNOCTG-UHFFFAOYSA-N 485.506 5.459 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(OC)cc3)cc2)CCC1 1788379451 KLTAENRCVBMAQS-UHFFFAOYSA-N 467.569 5.308 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)coc3C)cc2)CCC1 1788787300 MMCRZPLLLZAWGS-UHFFFAOYSA-N 452.498 5.274 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C)cc2)CCC1 1789213889 LROGREOCVHGPPB-VLCRHTCISA-N 469.626 5.026 30 20 JKED Cc1ccc(NCCC(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)c(C)c1 1789566105 KCOSKAXFMKQDAR-UHFFFAOYSA-N 496.611 5.190 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccccn34)CCC2)cc1)c1ccccc1 1789600897 UUOBIJGLWSODPH-RUZDIDTESA-N 476.580 5.279 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)sc1C 1789981816 ZEQNWZAOJCJEDY-UHFFFAOYSA-N 458.587 5.012 30 20 JKED Cc1cc(Cl)c(Br)cc1C(=O)Nc1ccc(C2(NC(=O)CC#N)CCC2)cc1 1790058641 QALSXRUSPVULGG-UHFFFAOYSA-N 460.759 5.072 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@](C)(NC(C)=O)c3ccccc3F)cc2)CCC1 1790572689 WXPMPYDPOPFBMT-QDPGVEIFSA-N 491.607 5.080 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2)CCC1 1790685583 LXOQHYPIJNHIPQ-LJQANCHMSA-N 465.594 5.413 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)cc2)CCC1 1790990212 FTDWZXDVAQTYJS-MRXNPFEDSA-N 470.495 5.313 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCOc3ccc(Br)cc3)CCC2)cc1 1791580862 MBXLEUIVSYILTO-UHFFFAOYSA-N 483.406 5.156 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)CCC2)cc1 1791588201 KAQXHGYQPSQDRY-UHFFFAOYSA-N 486.469 5.354 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)s1 1792123375 XAXPBEFDHQCZKK-QGZVFWFLSA-N 459.571 5.445 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCC=C(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792205139 OZXGZAFICJYYNH-QHCPKHFHSA-N 483.653 5.726 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)cc2)CCC1 1792388624 DEPVTOUELDWSMG-RDPSFJRHSA-N 495.664 5.534 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(Cl)c(C)c3)[nH]n1)C2 1793048920 CVVAWAPMIIUAPK-WKCHPHFGSA-N 467.013 5.059 30 20 JKED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1799281268 YNURUOLTKAHCIE-WKCHPHFGSA-N 460.540 5.418 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1802501850 COQKDOMCAYKPJA-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1803088690 FNSDPKGYEKYSHY-QPPBQGQZSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1803091094 MPXPTMHKHQBNPK-JPYJTQIMSA-N 490.406 5.616 30 20 JKED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803223932 XNVWBLTYMNXZMQ-ZDGKRHAVSA-N 486.081 5.033 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@H]4C[C@@H]4c4ccc(Cl)cc4)CC3)C2)cc1 1804759339 XDYDHZWTJCSGDS-FTJBHMTQSA-N 490.047 5.179 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)c4ccccc4c3)CC2)C1 1806025194 DATBPTAIBDQFJZ-LJQANCHMSA-N 499.449 5.038 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)s1 1810273294 CXGJVDLSMAOZBE-YIXXDRMTSA-N 495.765 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c(CC)nc4ccc(Cl)cn34)C2)CC1 1810755194 CCGYPJPSFWFPSN-UHFFFAOYSA-N 485.072 5.387 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302477 YIWZHXVNVWDVPX-WXVAWEFUSA-N 495.623 6.293 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[C@@H]1c1cccnc1 1812590980 QMRKEFDSPDPXKX-DDOGDFNNSA-N 487.566 5.208 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1812986588 OAEFKRQWJXOANY-XTJBDQBJSA-N 480.052 5.465 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814148944 PEKUWFKEOCDYAU-LITSAYRRSA-N 461.650 5.637 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1814569806 UFLAYRSHBFGRGC-JOCHJYFZSA-N 480.572 5.185 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnn(C(C)(C)C)c2Cl)n[nH]1 1816198602 JXGVBPXDGJFMKC-GOSISDBHSA-N 475.037 5.313 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncccc2-c2ccccc2)n[nH]1 1818308633 ABILLECKAORMJV-DEOSSOPVSA-N 469.589 5.546 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)n[nH]2)cc1 1818931294 NIXGKXDYJPLZRG-LVVCFHABSA-N 473.621 5.388 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCCC)cc2)[nH]n1 1819307205 CMMPLNIPADBFIG-GMAHTHKFSA-N 450.583 5.273 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)[nH]n1 1819552972 LXWWNSMHTUMMQG-FQEVSTJZSA-N 491.558 5.441 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820150426 KTQCIJUXTOJOMY-VWLOTQADSA-N 493.611 5.829 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821180400 TWKJJEKXJLLGGQ-UZLBHIALSA-N 479.631 5.024 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)n[nH]1 1821756288 JPAXLEWHCNDVSU-LBNVMWSVSA-N 491.680 5.171 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1)c1ccc(O)cc1 1822466778 NXGFEGAIYIXHJD-OFVILXPXSA-N 496.567 5.365 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2C2CC2)n[nH]1)c1cccs1 1823131680 ULYJJEDBGRBHLU-IWGBCORSSA-N 474.586 5.094 30 20 JKED Cc1cc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c(C)c1 1823154106 VCWHTXAOOUABKN-QHCPKHFHSA-N 455.562 5.021 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)[nH]n2)cc1C#N 1823293084 YHVGSGQVKJQXLQ-QHCPKHFHSA-N 496.571 5.170 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)c1 1823668638 CGUVCSQCTHBZHA-HSZRJFAPSA-N 499.442 5.126 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(Br)cc3Cl)CC2)C1 1823702112 USVHXIVVTKKTQS-NRFANRHFSA-N 497.836 5.441 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1823889602 FQMCXCNMHOFZFY-SFHVURJKSA-N 470.828 5.430 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1825468411 HUSKZVVQMWOYGX-IRLDBZIGSA-N 493.570 5.024 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1827385844 UQOSSOJMVNIANR-HHHXNRCGSA-N 482.628 5.062 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1)C(F)(F)F 1827714913 PHWVMAHMCFDUDF-HXUWFJFHSA-N 475.511 5.002 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)oc2ccccc12 1828128165 OCGHHSSPCJHXDO-QHCPKHFHSA-N 490.003 5.813 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccn2)CC1 1828906558 UBIQPGDAQBKRSG-QHCPKHFHSA-N 474.121 5.019 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1)c1ccccc1 1829032036 IFZVVXHPWUUSCF-XZWHSSHBSA-N 493.651 5.665 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CC2)C1 1829563637 XNFDOQTYTTXGRN-HHHXNRCGSA-N 482.628 5.429 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829707400 IYJPYZFMUYQXJM-VWLOTQADSA-N 461.581 5.276 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830054630 WOOSXFBMCUJURM-DEOSSOPVSA-N 483.534 5.319 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC=C(C)C)CC1)NC(=O)OC(C)(C)C 1830258864 KLLSMKOQTOUVNL-ZEQRLZLVSA-N 489.701 5.212 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c(F)c1 1830471884 LTFZBHWYELLMKF-SANMLTNESA-N 491.607 5.340 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830771424 XZWLNTXKKJDRLG-ZBLYBZFDSA-N 468.601 5.041 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1831444898 YYAVKAZEWTZKPE-XMMPIXPASA-N 469.576 5.435 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c1 1832609678 NUACCJJZBVMKPA-XMMPIXPASA-N 467.972 5.206 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707128 HVDUGQCJJRAARK-QFIPXVFZSA-N 484.534 5.061 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4ccoc4c3)CC2)CC1 1838423774 ADRRRUJPMGDHER-UHFFFAOYSA-N 452.595 5.037 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c1 1846830173 UZOXWZYYDOOVHL-GOSISDBHSA-N 473.960 5.358 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccccc2CC)c1C 10827692 VZHNMFIVJQEJBD-UHFFFAOYSA-O 485.029 5.362 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccs2)nc2scc(-c3ccc(C)cc3)c2c1=O 11019416 XKMMQNBOHZDZLS-UHFFFAOYSA-N 481.668 5.432 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccc(Br)cc1 16832608 BFDPYABIZQTKPU-ZDUSSCGKSA-N 477.815 5.666 30 20 JKED COc1cccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)n2-c2ccccc2)c1 21731985 LJHIDHQUWJZYCP-HXUWFJFHSA-N 483.597 5.370 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 22729577 VHEKKGIIUXQEKC-UHFFFAOYSA-O 486.060 6.886 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)c1 22729790 ZOZOZBTZPHIURI-UHFFFAOYSA-O 457.663 6.428 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccccc2)cs1 46581756 UXQAJZFMIFJIGL-INIZCTEOSA-N 452.948 5.482 30 20 JKED CCc1cc(C#N)c(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)s1 59829076 VCIHVTZKAIJPJG-UHFFFAOYSA-N 463.563 5.300 30 20 JKED C=CCn1c(SCc2nnc(C3CC3)o2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 72031234 WVRXCCJELPVEAT-UHFFFAOYSA-N 480.597 6.207 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 109905707 JAEGGLGSUXFXGG-CQSZACIVSA-N 483.378 5.002 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 110688127 UMROINXJZHECKL-MHZLTWQESA-N 467.569 5.075 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)s2)cc1 219529764 QCIIEYXSTVLNJD-UHFFFAOYSA-N 458.572 5.017 30 20 JKED O=C(CNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1F 302972531 SOMZTQLIPGJZJY-UHFFFAOYSA-N 470.344 5.297 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 303374673 KYYFTXXYYMAPSN-SFHVURJKSA-N 474.388 5.191 30 20 JKED Cc1nc(SCC(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)c(C#N)c(C)c1C 489062615 NJBHFXCYKBPAHN-UHFFFAOYSA-N 454.559 5.061 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 495127194 LHEMXYROACJRSM-OAQYLSRUSA-N 460.603 5.754 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 497879634 BRBKBTVWYHFCPH-KRWDZBQOSA-N 462.512 5.340 30 20 JKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSc2ncccn2)sc2c1CCCCC2 499327249 HUSWYCMFCIGEAC-UHFFFAOYSA-N 460.584 5.969 30 20 JKED C=CCn1c(SCC(=O)N(C)CCc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 502050363 NELOWCMKUKXGQO-UHFFFAOYSA-N 461.418 5.231 30 20 JKED N#CCc1cccc(C(=O)Nc2ccccc2Oc2ccccc2NC(=O)c2cccc(CC#N)c2)c1 503418892 LQVWNBYGFZMHOH-UHFFFAOYSA-N 486.531 6.116 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 504505711 DUBOGYPPKGYNJI-MGPUTAFESA-N 460.921 5.209 30 20 JKED CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SC[C@@H](O)COc4ccc(CC#N)cc4)o3)cc2C1 508456799 FJVIBVGNAWTPMB-MOPGFXCFSA-N 483.659 5.547 30 20 JKED C=CCn1c(SC[C@@H](O)COCc2cccs2)nc2scc(-c3cccs3)c2c1=O 508508554 YSRZOODJJKACSN-AWEZNQCLSA-N 476.670 5.104 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 510588015 ARIOORIEDVODEK-SFHVURJKSA-N 456.546 5.965 30 20 JKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C2CC2)o1 511499205 MIYRWQFJPVCZQX-BXKMTCNYSA-N 454.530 5.723 30 20 JKED O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 513842289 FAPBSDNJXHGPBF-UHFFFAOYSA-N 497.317 6.103 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 515296870 WOXNWPRQCUILRQ-UHFFFAOYSA-N 476.374 5.624 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 515805203 SXUQFQPYOGRWIQ-LJQANCHMSA-N 463.528 5.605 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccc(OC)cc4)c(C)s3)n2)cc1 516713788 JGMNKTJRMQQJPG-OAQYLSRUSA-N 460.580 6.354 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 517448781 KKWKLVPTPIHRFI-OAHLLOKOSA-N 495.029 5.669 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 517532432 IMITZRYVEXPIFQ-CQSZACIVSA-N 464.418 5.420 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 517533351 VXTISYOXDLOEOS-YJYMSZOUSA-N 496.391 5.065 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 518591193 WJWRVGALLAGDHE-MRXNPFEDSA-N 465.456 5.076 30 20 JKED C=CCn1c(SCC(=O)NCc2sccc2C)nnc1-c1ccc(Cl)cc1Cl 518892125 KSQCUTJJNHHWNH-UHFFFAOYSA-N 453.420 5.216 30 20 JKED CCc1ccc(-c2noc(CSCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1 519433105 RBZKXSYDGVSHAZ-MRXNPFEDSA-N 452.605 5.565 30 20 JKED CCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 520015625 ZCTXCDRGLZYNSZ-UHFFFAOYSA-N 485.609 5.143 30 20 JKED CC(C)(C)c1csc(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 520615025 FZTBKVGPONJWOE-UHFFFAOYSA-N 450.583 5.406 30 20 JKED CCOc1cc(Br)c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OCC 521470089 AJJNSGXYACTQLD-UHFFFAOYSA-N 460.372 5.561 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1occc1COc1cccc(C#N)c1 522572716 JYKDREUFGPVENT-KDURUIRLSA-N 471.557 5.409 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 524388040 FFVJMRBHCHSPDX-UHFFFAOYSA-N 489.988 5.631 30 20 JKED CCOc1ccc(/C=C\C2=Cc3c(sc(NC(=O)Cn4ccnc4)c3C#N)C(C)(C)C2)cc1 553194168 GSNAJGKAOQJDAT-WAYWQWQTSA-N 458.587 5.632 30 20 JKED C=CCN(C(=O)c1ccc(Br)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 589295150 ZZVQNGKWZGSKLT-UHFFFAOYSA-N 469.191 6.107 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c3c(C)noc3n2)c(C)o1 603624201 WCXRSWQQJYDHKB-UHFFFAOYSA-N 465.469 5.719 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603626881 IFVRQEROGMZMQI-UHFFFAOYSA-N 457.921 5.513 30 20 JKED COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1ccc(Br)cc1 603682146 ZHUHREYTEYVFHG-KRWDZBQOSA-N 451.364 5.759 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603759194 XLARHJOYURCWJC-NOZRDPDXSA-N 487.987 5.637 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 603947006 ZDCQDUYCOAYLCJ-LLVKDONJSA-N 488.009 6.412 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCC(c3ccccc3)c3ccccc3)cn2)cc1 604130016 KJHMWBJESWBDLP-UHFFFAOYSA-N 476.536 5.022 30 20 JKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)[nH]c2c1 604510371 WQIKXUYVNTWMGJ-IBGZPJMESA-N 475.603 5.256 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)n1 609047281 WRDVBZLXFBYZGB-UHFFFAOYSA-N 481.556 5.308 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)cc2)c1 609073782 XFRPXXXIABIDBD-UHFFFAOYSA-N 487.519 5.518 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 609085564 SYLULIKPROYLTB-NRFANRHFSA-N 469.513 5.018 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 609104921 QHTRUMBENZDLRB-MRXNPFEDSA-N 463.534 5.354 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 609381771 ZGACQTCOFMVEIU-KRWDZBQOSA-N 493.526 5.270 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCCCOc1ccc(Br)cc1 609407571 YPMQVKPDVGUJBC-UHFFFAOYSA-N 453.336 5.696 30 20 JKED CC(C)CC[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Cl)cc1 609437911 WVYWAMCVYWJOCZ-XLIONFOSSA-N 458.027 5.966 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2Br)no1 620847325 VHWYWIQJZZLZRW-OAHLLOKOSA-N 480.240 5.228 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)Nc1cccc(C)c1C)C(C)C 639394218 HPVOBKMAFVHWOM-QHCPKHFHSA-N 468.598 5.554 30 20 JKED COc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(OC)c(OC)c3Cl)C2=O)c(Cl)c1OC 653737387 MMSWIHVXABXVBG-OTYYAQKOSA-N 478.372 5.009 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(CCC)C2CCN(C(=O)c3ccccc3)CC2)c1=S 725786376 CWAWUFSXNMTRBS-UHFFFAOYSA-N 493.652 5.380 30 20 JKED N#CCCN(C(=O)COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(Cl)c1 725995675 FQOCXAJTADBETA-UHFFFAOYSA-N 493.894 5.586 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(F)c(C)c2)cn1 726116785 KVRFDZMEGLQNCZ-QHCPKHFHSA-N 493.608 5.128 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 726393894 RTQLYNRICKWXRA-UUOWRZLLSA-N 486.597 5.097 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)c(Cl)c1 726399244 MXZYAWKYTSWDQD-YJYMSZOUSA-N 481.952 5.004 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1F 726409475 AXNXKSKKRXFLTP-QRQCRPRQSA-N 496.539 5.090 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1 726415816 OQNMGOWQTHTGCB-JOCHJYFZSA-N 481.549 5.366 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCC(C)C)C2=O)c1 726421565 RADNBAVVJSXBQN-WSJNKUPNSA-N 489.663 5.201 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-])c1cccs1 726421944 TVYLQUYQRRGKKJ-TZTREGAWSA-N 494.598 5.246 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccccn3)C2=O)c1 726422372 VRWMFTRZVOMJPA-HRQGHCQOSA-N 478.643 5.350 30 20 JKED Cc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1S(=O)(=O)Nc1ccccc1 726460447 BYFUPONVXNMVHZ-UHFFFAOYSA-N 456.980 5.130 30 20 JKED COc1cc([C@@H](C)NC(=S)Nc2ccc(C#N)c(Cl)c2)ccc1OCc1ccncc1 726467515 AVVUVDNECXWILA-OAHLLOKOSA-N 452.967 5.242 30 20 JKED CN(C[C@@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1)C(=O)OC(C)(C)C 728737925 WLCZODFFFYTVFE-QHCPKHFHSA-N 492.620 5.442 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)cc1 729144855 GOOLYTDZOOMIIT-IBGZPJMESA-N 468.579 5.060 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCc3c(C)noc3C)C2=O)c1 730441579 IAFUSNXZFLJYSS-XMMPIXPASA-N 490.629 5.420 30 20 JKED C#CCOc1cccc(OC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 730500738 SVSLXYBZFQSHMU-MRXNPFEDSA-N 476.579 5.303 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 731060712 OEYWEGZMTLGJII-IBGZPJMESA-N 487.581 5.153 30 20 JKED C[C@H](CC#N)Sc1ccccc1N=Cc1cc(Br)cc(Br)c1O 731318243 HNXCRPZODUGTEC-LLVKDONJSA-N 454.187 6.062 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 746697701 KATRDINTPBXELX-LJQANCHMSA-N 459.999 5.115 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cscn3)C2=O)cc1 747601285 FVUAKWSOCJMUCJ-QFIPXVFZSA-N 494.642 5.401 30 20 JKED C=CCN(C(=O)COC(=O)c1sccc1C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 748104029 YYTHPXAMYCCILE-UHFFFAOYSA-N 478.382 5.426 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnn(Cc2ccccc2Cl)c1 767032742 IFGPPXMLGDRZDQ-UHFFFAOYSA-N 494.407 5.867 30 20 JKED COc1ccc2cc(-c3cc(C(=O)N4CCN(c5ncccc5C#N)CC4)c4ccccc4n3)ccc2c1 789890491 YFXXXTGSDSRVTE-UHFFFAOYSA-N 499.574 5.293 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(Br)c1 799224827 ZDKJYHINMJBBPJ-QGZVFWFLSA-N 496.814 5.091 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc4ccccc4c3)nc(O)c2C#N)cc1 824947050 HAZBJXCMSUEZPM-OAHLLOKOSA-N 456.527 5.002 30 20 JKED C[C@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 826075083 ORRGKFCPFFKKDU-KSFYIVLOSA-N 462.596 5.512 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O)Nc1ccc(F)c(Cl)c1 837768808 VYEUEODEQCTGQK-FQEVSTJZSA-N 486.931 5.174 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc(Br)cc2)s1 863965569 MLIRKIVOCDXASP-UHFFFAOYSA-N 471.405 5.616 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2cccc(CN3CCCCC3)c2)no1 904432446 BVGLNRYJJAQDEI-UHFFFAOYSA-N 497.393 5.334 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)SCc3nc(O)c4c(C)c(C)sc4n3)n2)cc1 915101116 DAPBVBSENTXNFC-NVXWUHKLSA-N 494.667 5.944 30 20 JKED Brc1ccc(-c2nc3ccccn3c2C=NNc2ncnc3sccc23)s1 915956694 ZGHUQRKKLTUEQH-UHFFFAOYSA-N 455.366 5.276 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc(Cl)c2)C1=O 916204899 JYYBDXJDHHRAGG-QFIPXVFZSA-N 479.989 5.509 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(C[C@H]2CCCO2)C1=O 916211328 MIGAEYRTSCTJHS-ZJSXRUAMSA-N 495.645 5.232 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916216971 AGGIGFUVKADSTI-GOSISDBHSA-N 464.374 5.148 30 20 JKED COc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OCc1ccccc1 916310279 WGUMWEIAXAFXRV-UHFFFAOYSA-N 481.577 5.903 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 916383780 SCBDXNHMBPMWTN-IXCJQBJRSA-N 473.532 5.537 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916845667 BIJSXTRJNHVAGQ-SFTDATJTSA-N 496.592 5.013 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928816 UWQHRGYSLUJOOY-AWEZNQCLSA-N 464.761 6.040 30 20 JKED CC(C)[C@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995005 ALLPBLIQOYFESF-KDOFPFPSSA-N 478.426 5.809 30 20 JKED C[C@@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(CCC#N)Cc2cccnc2)c1=S 917413890 YSUCUGHZCFJLKZ-NRFANRHFSA-N 454.603 5.459 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 917702572 UQHUWVPZIFTKMI-XMMPIXPASA-N 486.597 5.098 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 920106701 YBHCLNDQGNKAGV-HSZRJFAPSA-N 499.530 5.735 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C(F)(F)F)c2)no1 920352943 WBWWZFNUKFTWFE-IBGZPJMESA-N 488.491 5.162 30 20 JKED C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1705758066 JEPBCAOMCZEUCU-UHFFFAOYSA-N 450.974 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](c1ccc(F)cc1)C(C)C)C2 1779512685 GFDZVNOOAVKEHI-FMGHJNRGSA-N 472.645 5.072 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)cc1 1785797570 TZLDWBKPJOTVME-UHFFFAOYSA-N 474.564 5.487 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786102935 DOEHAYLYQLSPRF-HHHXNRCGSA-N 499.627 5.238 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2)CCC1 1786790524 CSRSRDGKHXUXAG-UHFFFAOYSA-N 475.589 5.111 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cc(F)ccn4)cc3)CCC2)c1Cl 1786824950 PJAFYNKEMLIJOZ-UHFFFAOYSA-N 476.939 5.126 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3scnc3C3CC3)cc2)CCC1 1787185856 SJRUAJRWJAZKEX-UHFFFAOYSA-N 479.722 5.819 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3CCSCC3)CCC2)cc1 1789509885 RQOIMOWJWOSNKQ-UHFFFAOYSA-N 456.728 5.315 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)/C=N/N4CCCCC4)cc3)CCC2)[nH]c2c(Cl)cccc12 1789512947 JBNSXXQLEBRMPI-STBIYBPSSA-N 492.023 5.349 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(C)C)[nH]n4)cc3)CCC2)cc1C#N 1790131632 VKSPMDJSICDFIY-UHFFFAOYSA-N 485.588 5.253 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)c1 1790765802 DAVBACRTMGZMOT-GOSISDBHSA-N 466.516 5.386 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(Br)sc4c3)CCC2)cc1 1791575028 GLUSXZQRNMRXJK-LBPRGKRZSA-N 490.448 5.125 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4)CCC3)cc2)cc1C#N 1792168436 ADGWNVJBPDFMMQ-UHFFFAOYSA-N 493.567 5.235 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792289870 LFLWZZSGTNWLPQ-QHCPKHFHSA-N 481.637 5.146 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccccc1)C2 1798419775 JDQIHJGJJKOARO-BKFWDETESA-N 473.693 5.052 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)[C@@H]2c2cccnc2)C1 1802414879 ARSMEJLXWRALQW-SHQCIBLASA-N 483.612 5.064 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C2(c3ccccc3)CC2)[C@H]1c1cccnc1)c1ccccc1 1802536764 NIQXDQKKUVRCPI-PIZZNKLWSA-N 491.635 5.016 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1803079355 MCFASCMKKXLSTG-IRPSRAIASA-N 483.612 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808542361 ITTATMXYWNUVFO-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811261838 KMNDRCHMXMVYQN-LMSSTIIKSA-N 496.655 5.577 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[C@@H]2c2cccnc2)C1 1811305860 XBSHLOIFJWZLNV-ZBLYBZFDSA-N 496.636 5.577 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1812235152 NVSSJFJPIAQQHP-CYFREDJKSA-N 479.024 5.528 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812514841 VLJFDVIYTIPNNB-SDUSCBPUSA-N 486.081 5.100 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1812997896 SUAGNQQILAFZTH-JPGUHONBSA-N 491.635 5.088 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1813227516 FJIZPRWQCCLLKE-CYFREDJKSA-N 472.416 5.210 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1813944038 PGMRYVWFMCGSDX-BOCKYXSRSA-N 473.951 5.101 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Br)c3)[nH]n2)C1 1814397079 BKNBXVCPEFDLMV-GOSISDBHSA-N 477.790 5.098 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)[nH]n1 1814439928 GFVCLYLLMMJYDF-FUDKSRODSA-N 464.610 5.207 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)c1Cl 1815984012 UVARFBQSWNUTRM-IHHMQQGQSA-N 465.966 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817755509 RWOIBDUVRRCAIT-KNQAVFIVSA-N 493.995 5.792 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)cc1 1819076242 BMSJMXLKVLAWOA-OAQYLSRUSA-N 487.560 5.184 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1819258561 GZFQGOXNQPIUBJ-FIKGOQFSSA-N 493.658 5.585 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)[nH]n1 1819309382 UEZRTBJOHDIAIO-NOZRDPDXSA-N 475.637 5.474 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)[nH]n1 1819309616 YNYBXXVNCKYGMP-UNMCSNQZSA-N 459.550 5.139 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)[nH]n1)c1ccccc1 1819520439 ICMOSJXETWVEMR-VPUSJEBWSA-N 497.643 5.244 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1cc3ccccc3o1)CC2 1819599488 GDJQOIHUVVEQBP-CDBZTZBOSA-N 461.587 5.283 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217047 AZRSFZXDRCUDGU-HXUWFJFHSA-N 451.958 5.009 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1 1820976966 RRPRWNFNSVWZHK-MGPUTAFESA-N 494.423 5.142 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)[nH]n2)c1 1821321251 CQZLRUWDIDYRJY-CNBHCMJISA-N 487.526 5.264 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)n[nH]1 1821357407 HRZGISSOFAJGOZ-HXUWFJFHSA-N 481.597 5.256 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1821924647 FZAYIEXFCFNOTP-UGSOOPFHSA-N 479.806 5.344 30 20 JKED CC1(C)CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)C1 1822475353 KJXHBMQTVQICCG-LJQANCHMSA-N 473.499 5.042 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1823131264 QYZDFYFVCXJECQ-WAIKUNEKSA-N 491.979 5.318 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823294760 SCUHZLRAWDHNPY-QHCPKHFHSA-N 489.551 5.136 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824054070 GBKIFMXFVMNUPZ-AREMUKBSSA-N 494.035 5.086 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cc(F)ccc3Br)CC2)C1 1824370217 SZLXIADPCGJJFY-HSZRJFAPSA-N 491.445 5.107 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 1824504838 GEBOGFPEBMKACS-QTDJFWLRSA-N 454.655 5.027 30 20 JKED CO[C@@](C)(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](S)C(C)C)CC1)c1cccc2ccccc12 1824537575 DGZUHMOSXSFKNZ-QXTIUPHPSA-N 496.717 5.276 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C2=CCCS2)CC1 1824570048 YKLFOABIXHAKGA-MHZLTWQESA-N 484.665 5.341 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1 1824760909 BFAXFKRNJXIDJO-ZEQRLZLVSA-N 497.680 5.006 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732736 LDFJCCMQHJCFCG-OAQYLSRUSA-N 453.970 5.137 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1 1828340037 YSAYYHMWIBBNMB-HHHXNRCGSA-N 489.685 5.211 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828553840 NXVRQFARZIICME-FQEVSTJZSA-N 481.618 5.521 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)CC1 1828598983 FLJKGRHYSYNWSM-LJQANCHMSA-N 488.451 5.201 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2Cl)CC1 1828904610 YZSGGEZDBCOJID-JOCHJYFZSA-N 474.121 5.019 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCCCCC(=O)OC(C)(C)C)CC2)C1 1830408127 XVXMARBONCBVCF-XMMPIXPASA-N 474.686 5.255 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830482106 XIACAFRNWXTQGM-VWLOTQADSA-N 481.999 5.217 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1830783383 KTPRKDIDWFPMJU-OAQYLSRUSA-N 467.437 5.590 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1831287709 PPDVFGPECWJKAG-RUZDIDTESA-N 476.020 5.177 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)CC1 1831293672 NEOCSBJBVIMNSJ-RPWUZVMVSA-N 473.057 5.279 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831301671 GSKUOZOJKOVKSV-HSZRJFAPSA-N 475.098 5.301 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc(Br)cnc23)CC1 1831375727 DLQZLXRYTVCPQV-FDDCHVKYSA-N 498.465 5.443 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)CC1)C(F)(F)F 1831453593 GPBAVWOVTAXRFK-ICSRJNTNSA-N 468.947 5.108 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1831842080 HWWPNDOEUXHPFP-VGOFRKELSA-N 481.687 5.448 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2cccc(Br)c2)CC1 1831854482 DXTNSHQWUGFHRF-HYBUGGRVSA-N 487.482 5.051 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCn2cccc2)CC1)c1ccccc1 1832267644 YUWGFJBEFKHMKK-WUFINQPMSA-N 473.661 5.085 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1832349287 CPGBVMMTCZCFBI-JHUUHBRDSA-N 485.770 5.136 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1832629443 QLDJFCDIQBHTRX-NFQMXDRXSA-N 493.598 5.458 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1832684203 YSUAOTIYIGIYEV-QHCPKHFHSA-N 499.989 5.356 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)c1 1832720556 XSGAFCRZELRWLL-NRFANRHFSA-N 492.929 5.106 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)C4(C#N)CCC4)CC3)ccc21 1832786060 PMQXZGRQWYOZCY-SANMLTNESA-N 496.655 5.742 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)Cc3cccc(CCCCC)c3)CC2)CC1 1835682530 XNHZUEXUEVRMTG-GDLZYMKVSA-N 493.736 5.302 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)C1 1845642878 ZEZMNIJJTNBTAG-UHFFFAOYSA-N 490.829 5.169 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2 10118268 SQZDMEJAZILXTN-UHFFFAOYSA-O 453.534 5.191 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)cc12 11070569 VIVSIJVSYRPRSI-HNNXBMFYSA-N 478.961 5.164 30 20 JKED O=C(C[C@@H]1S/C(=N\c2ccccc2C(F)(F)F)NC1=O)Nc1ccc(SC(F)F)cc1 15231603 AEODILLJQPDJMI-AWEZNQCLSA-N 475.464 5.268 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccc(F)cc1 22033664 SDINQEAASFAYLX-DEOSSOPVSA-N 472.589 6.359 30 20 JKED C=CCn1c(SCc2nnsc2Cl)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 22036948 WXWOJWFWSGNNSB-UHFFFAOYSA-N 465.000 5.556 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)NCCc2ccccc2)cc1 22734858 MDDCFUDDSIGQDZ-UHFFFAOYSA-O 452.043 5.696 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nc2sc3c(c2c1=O)CCC3 23405432 QCWHJGMRHOSPGA-HUUCEWRRSA-N 479.627 5.237 30 20 JKED Cc1occc1-c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1Cc1ccccc1 23608119 XKSVSHCVBSWUIN-LJQANCHMSA-N 489.576 5.461 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccc(F)cc1 24014907 LDSBCBCTGBCGEE-LJQANCHMSA-N 463.582 5.315 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccco1 28503760 NWODYGJHRUGYQB-HSZRJFAPSA-N 462.550 5.203 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2ccc(C)cc2C)cc1 28793476 JIZRCOQCDRAEIC-UHFFFAOYSA-O 492.665 5.716 30 20 JKED C=CCn1c(SCc2nnc(C(C)C)o2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 72086387 JPHCVDGKNLRGEY-UHFFFAOYSA-N 482.613 6.453 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1[C@@H](C)c1ccccc1 195659177 OQEGGUVBDUIQGF-KKSFZXQISA-N 470.598 5.381 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c(C)c1 254818713 KWDDJNLVOUBTPQ-IBGZPJMESA-N 472.408 5.189 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 302937821 AUBLLVGQKDZKOD-JOCHJYFZSA-N 486.399 5.051 30 20 JKED COc1cc(Br)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 483438061 LEPFEERJMIADCV-UHFFFAOYSA-N 453.292 5.383 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4cccs4)n3)s2)c(C(F)(F)F)c1 487465991 BJNUNQFTXIKCBB-UHFFFAOYSA-N 490.557 5.991 30 20 JKED CCOc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OCc1cccnc1 488012455 YKBOROTUDYODBY-UHFFFAOYSA-N 495.554 5.913 30 20 JKED C=CCN(C(=O)Cc1ccc(CCCC)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491057225 DJLIYENFLMEYSZ-UHFFFAOYSA-N 468.644 5.318 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)cc1 498300128 VCNUZFJJFXMQNX-UHFFFAOYSA-N 489.380 6.115 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 499781468 NYFSYXCJZKTUDT-UHFFFAOYSA-N 468.563 6.368 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 508291144 UVHNNXJBBFAVOE-UHFFFAOYSA-N 479.540 5.130 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509682504 OVOUSIIXZYXOIL-QHCPKHFHSA-N 459.571 5.149 30 20 JKED C[C@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)C1 510054011 HZHCNYLNJBMSAK-CYFREDJKSA-N 479.024 5.498 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)nnc1-c1cccnc1 510171534 AEDFZRKVGITHMJ-UHFFFAOYSA-N 483.022 5.342 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC1CCCC1 511419626 DPVKJMFBHWUJAY-NRFANRHFSA-N 499.611 6.544 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1OC 514240697 DXBPTUXHZIOBPU-AWEZNQCLSA-N 462.497 5.278 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(Cc4ccc(C#N)cc4)C(C)C)cc3C2=O)c1 514534029 BTZUQTVYZPSWKL-UHFFFAOYSA-N 451.526 5.027 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)cc1 515160582 WKCYBWCUQRQKPM-UHFFFAOYSA-N 464.612 5.423 30 20 JKED Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)n1 515775661 PZKFEJBAAYJPFO-NZQKXSOJSA-N 487.991 5.582 30 20 JKED C=CCn1c(SCc2cc(F)ccc2Br)nnc1[C@@H]1COc2ccccc2O1 517160583 QMNGWHDZCPQCDI-SFHVURJKSA-N 462.344 5.171 30 20 JKED CCCCc1c(C)nc2nc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)nn2c1C 517447887 VVCWNWUMZDAMMH-OAHLLOKOSA-N 468.652 5.209 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)cc1 517522779 XVKSOTJKLSWJPX-KUHUBIRLSA-N 460.397 5.049 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 518142380 JGALNHCSVXPNJB-UHFFFAOYSA-N 468.582 5.136 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)cc2)c1 518231645 KOFBNLJLUCPJHI-UHFFFAOYSA-N 460.540 5.302 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1)c1ccccc1 518725528 DBABRQYTGYYEIC-UHFFFAOYSA-N 476.577 5.416 30 20 JKED C=CCN(C(=O)c1ccc(COc2ccc3ccccc3c2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 518731109 QTOAMHFTURSUTO-FQEVSTJZSA-N 479.540 5.377 30 20 JKED CCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H]1CCSc2ccc(Br)cc21 518754553 RDZFRTJRDXXEQH-KXBFYZLASA-N 490.492 6.934 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccn(Cc2ccccc2)c1=O 518857809 BBUWYIRJUSEEOL-UHFFFAOYSA-N 451.501 5.063 30 20 JKED C[C@@H](Cc1cccc(Br)c1)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 520046058 MRSOWWLCYMYZAQ-ZDUSSCGKSA-N 488.436 5.217 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 520136863 AAIHCXDJRGRSFZ-PMACEKPBSA-N 490.604 5.199 30 20 JKED C=CCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 521316802 HRJFTFHJIPIJDU-QGZVFWFLSA-N 494.477 5.258 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1 521414215 KPDHBQJCDDNAHT-UHFFFAOYSA-N 452.605 5.316 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 521559156 SVMUVQHUYQKVPE-HSZRJFAPSA-N 474.948 5.385 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)c2ccccc2)CC1 521561006 AVKDSZWSYNQJNJ-UHFFFAOYSA-N 453.542 5.573 30 20 JKED C=CCN(C(=O)Nc1ccc(Br)cc1C(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 521810675 YUAZZCKJRQEHGW-CYBMUJFWSA-N 495.303 5.225 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 524311938 QWLPRXGKBVGIPQ-UHFFFAOYSA-N 452.514 6.259 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccn(-c4ccccc4)n3)cc2Cl)c1 556503091 NQWWFBDRQCFGLG-UHFFFAOYSA-N 457.921 5.298 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccccc1C(F)(F)F 578149089 GQOHOSZCZPZUIE-UHFFFAOYSA-N 461.280 5.840 30 20 JKED N#Cc1ccccc1Oc1ccccc1C(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 594669892 XNEKIBIXEQFJTR-WSEBHVOGSA-N 463.581 5.333 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C#N 603576320 NMZSYHSYUUQFKL-GDNZZTSVSA-N 451.436 5.192 30 20 JKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1NC(=O)c1ccc(Br)cc1 603637225 NTZLYFYAAZKENQ-UHFFFAOYSA-N 494.414 6.074 30 20 JKED Cc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1NC(=O)c1ccc(Br)cc1 603638054 IQWUFFNMTCITQZ-UHFFFAOYSA-N 462.347 5.154 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)cc2Cl)cc1 604026718 HYVIWKFBRSBCIC-UHFFFAOYSA-N 481.382 5.272 30 20 JKED CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 604142363 KBSAKTRFKIHECU-HOYKHHGWSA-N 475.976 5.599 30 20 JKED Cc1ccccc1Nc1nc2sc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2s1 604396882 BNXHEHKHDNLEQL-UHFFFAOYSA-N 490.614 5.109 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)c3ccccc3)cn2)c1 608937468 ZPSRRQBZAXGCLT-SDUSCBPUSA-N 466.541 5.158 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 609209305 JRELEOLQWQIZGM-GASCZTMLSA-N 457.374 5.945 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1coc(-c2ccc(Br)cc2)n1 609237437 UUICLNIYCCUYFY-UHFFFAOYSA-N 462.756 5.501 30 20 JKED C=CCN(C(=O)CCc1cc(Br)cs1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609326609 YROMTMPAQAGSBS-UHFFFAOYSA-N 478.393 5.694 30 20 JKED COC1CCN(C2(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CCCC2)CC1 609355762 WOBNNGSRIFYIRN-DEOSSOPVSA-N 481.040 5.541 30 20 JKED Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c2n1 609370855 CRCAEGVNKANGIK-CYBMUJFWSA-N 460.386 6.119 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612806164 VYSUHELSJOAMLU-RYUDHWBXSA-N 498.361 6.135 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1nc2ccccc2n1C(F)F 613401513 AMQCDSYGKPLCGB-INIZCTEOSA-N 478.430 5.078 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)o1 613403907 IENHATFTZVQYOL-CYBMUJFWSA-N 462.478 5.424 30 20 JKED O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 618542539 UUDQOWAWCZAHKZ-OKILXGFUSA-N 477.380 5.673 30 20 JKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 619710482 FPDPJQFEVYYDDP-KBPBESRZSA-N 494.407 6.530 30 20 JKED CCOc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 620288375 NXSXUSMLVGWLOU-NXEZZACHSA-N 452.317 5.699 30 20 JKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 622571913 PIDBCCNIDZZKFI-UHFFFAOYSA-N 483.290 5.903 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc12 642282689 VVBGWCJYUYZXEC-QGZVFWFLSA-N 461.497 5.689 30 20 JKED O=C(Nc1ccccc1OCC(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642475781 RUJRFGMFYZERGT-UWVGGRQHSA-N 452.317 5.659 30 20 JKED C=CCn1c(S[C@@H](C)c2nnnn2-c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 643092186 WGRLNSCIIGKURN-INIZCTEOSA-N 472.599 5.140 30 20 JKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCOCC1)c1nc2cc(Cl)ccc2s1 726323026 WHBJPCWOQLVOTK-MRXNPFEDSA-N 475.795 5.637 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H](C)c1ccccn1)c1ccc(Cl)cc1Cl 726398961 WCBUYVYRBRNAOG-QCSWKVMHSA-N 491.444 5.179 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccco1)c1cccs1 726420213 HTFHWPSISIMVIT-KHANYUJCSA-N 475.542 5.209 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N\[C@H](C)c1cccs1 726422232 VXWHCPNNFTVPQK-RMHAOICISA-N 469.604 5.473 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)Cc2cccs2)cn1 726888425 MNRNRPGHEWPZOE-UTKZUKDTSA-N 494.642 5.052 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cnc(Cc2ccc(F)cc2)s1 727234212 ZJOBWWXWWXVSNL-INIZCTEOSA-N 461.490 5.149 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1NC(=O)c1ccccc1 728028304 DNZLHAQATSVVPU-UHFFFAOYSA-N 461.521 5.950 30 20 JKED CC(=O)N1CCc2cc(C(=O)[C@@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3C)ccc21 728062908 QSGAWQQSRPLBJF-LJQANCHMSA-N 453.542 5.038 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 728766553 BXBXNVYNEAJZQO-OAHLLOKOSA-N 492.413 5.088 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)cc1 728778702 UPMHXHFONALXRR-OAQYLSRUSA-N 482.993 5.197 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCCCC#N)C1=O 728780440 TXXLQRWNRHQISA-FQEVSTJZSA-N 490.963 5.581 30 20 JKED COc1cccc(C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c2ncc[nH]2)c1 729240702 XHEDYUQFPRKEIN-XDHOZWIPSA-N 480.496 5.261 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 729634837 VCHWKKLJJRTHAX-NRFANRHFSA-N 482.968 5.343 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 729668483 LJZHBAGTPFEGJP-UHFFFAOYSA-O 465.595 5.319 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 729888621 MAZUCEPLGZLFSV-OSPHWJPCSA-N 455.514 5.052 30 20 JKED CCOc1cc(C=NNc2cnnc(O)c2Cl)ccc1OCc1c(Cl)cccc1Cl 730568338 UMAIYBJPKVTWDK-UHFFFAOYSA-N 467.740 5.566 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730687392 NMLIFHAADWJSFJ-GFCCVEGCSA-N 469.206 5.023 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943753 KFPXFVBTQBNSMJ-GAJHUEQPSA-N 492.576 5.341 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2cccc(Cl)c2)no1 731077827 KKRJIRIRNWHFPW-AWEZNQCLSA-N 455.923 5.185 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731303766 AWJUZZOCUBGZOR-AVRWGWEMSA-N 496.592 5.662 30 20 JKED CC(C)Oc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)c1 731306052 JWOHPGXDXNSWHJ-XMMPIXPASA-N 489.597 5.340 30 20 JKED COc1cc(C=Nn2c(S)nnc2SCc2ccccc2)cc(OC)c1OCc1ccccc1 732765648 NOUDTTWRBHILAC-UHFFFAOYSA-N 492.626 5.338 30 20 JKED CC(=NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(N2CCOC2=O)c1 745588014 FSNRLVMJTNSQOH-UHFFFAOYSA-N 456.877 5.026 30 20 JKED COc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccc(C)cc4)c(C)sc3n2)ccc1OCC#N 747150449 APLJZMLYLCIRNZ-LDADJPATSA-N 477.973 6.329 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3ccc(Br)cc3F)n2)cc1 748009971 LHAQPSJPLDWQLK-QGZVFWFLSA-N 491.407 5.830 30 20 JKED CC(C)c1ccc(S(=O)(=O)c2ccc(NN=C3C(=O)Nc4cccc(Cl)c43)cc2)cc1 750924335 ZUAOMWGGLMJXAB-UHFFFAOYSA-N 453.951 5.065 30 20 JKED C[C@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)N(CCC#N)c1ccccc1 782024070 AYJQHCPFMCFFSY-JTQLQIEISA-N 461.132 5.187 30 20 JKED C=CCn1c(SCc2nc(COc3ccc(F)cc3)no2)nnc1-c1ccc(Cl)cc1Cl 817855381 UDNJMVRVLPJIJQ-UHFFFAOYSA-N 492.363 5.831 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 875064651 JRRBYWVCJCVSLG-UHFFFAOYSA-N 482.396 5.718 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2SCc2c(C)noc2C)cc1 912497795 MFCSMQMGFXEDQN-FQEVSTJZSA-N 477.586 5.384 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1 915179850 JBKSSNBFTWZBGN-XMMPIXPASA-N 457.986 6.224 30 20 JKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2sc(Oc3ccccc3)nc2Cl)cc1 915949906 VBKDKSAIYDMZAA-UHFFFAOYSA-N 479.921 5.620 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cn(CCC#N)nc3-c3ccccc3)cc2)cc1 916141488 CLXBEEGVFLSBQH-SFQUDFHCSA-N 496.592 5.469 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccc2)c1 916205162 HXUNUZWABJDAHD-QHCPKHFHSA-N 477.561 5.037 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 916205558 PNXLYHFXOQJEMM-FQEVSTJZSA-N 459.999 5.035 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 916209935 VOPQOXHFJSTABA-IBGZPJMESA-N 481.952 5.005 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2ccccn2)C1=O)Nc1ccccc1F 916211577 PRSJATNSUKLSHL-OAQYLSRUSA-N 482.968 5.077 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C[C@@H]2CCCO2)cc1 916213131 ZOLIWNNRIUETHS-PXNSSMCTSA-N 491.535 5.153 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)cc1 916214205 KVAGVMMBILXMMQ-JOCHJYFZSA-N 463.559 5.066 30 20 JKED C[C@H](C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl)c1ccccc1 916258207 NOFVAOZJKIBWOC-OAHLLOKOSA-N 458.927 5.250 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Cl 916683774 IZDYULDGHJBCSC-XMMPIXPASA-N 471.944 6.528 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)c1nc(O)c2c3c(sc2n1)CCCC3 916846778 FCSFRIRHTJIODM-CKDFRHGISA-N 475.570 6.033 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(Cl)c1OCC(C)C 916887049 LYIFNIQQZGVLEL-MRXNPFEDSA-N 482.936 5.659 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(SCc2ccccc2)cc1 916901107 YSHDQRJOKYQCDK-FQEVSTJZSA-N 464.974 5.911 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2)c(OC)c1 916902190 VSQZPBJGGXQMHC-IBGZPJMESA-N 478.932 5.206 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1nc(C)nc2sc(C)c(C)c12 916906857 KIIWKFLKNJLDTP-GOSISDBHSA-N 466.632 5.181 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 916950837 VDCAMJBXPWYLTJ-IBGZPJMESA-N 464.934 5.019 30 20 JKED CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976078 IZZZHXMQXDLWJP-VQTJNVASSA-N 484.984 5.447 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ncc(C(F)(F)F)cc2Cl)cs1 917531678 AITLTRURCYBING-UHFFFAOYSA-N 457.840 5.480 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccc(C#N)cc3)C2=O)c1 917664265 WDJCUNXFZJMKMW-XMMPIXPASA-N 484.581 5.036 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c(C)c1 917671625 DFSBJTJSBWWOHA-QHCPKHFHSA-N 494.567 5.446 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccc2)C1=O 917702661 HTYPDPUATUQCCH-HSZRJFAPSA-N 489.000 5.681 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 917728500 UUQJEYPYNTZJEE-UHFFFAOYSA-N 498.004 5.490 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 918548179 OGJVDGXFBDYNHG-RUZDIDTESA-N 457.961 6.122 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920101566 DYPPIEAFVWGDDJ-SFHVURJKSA-N 463.946 5.679 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c(C)c1 920353545 MJNZMDAZZDNZCN-JOCHJYFZSA-N 462.575 5.069 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1cc(C)on1 920354320 AWUFPTNIIMHRHS-QFIPXVFZSA-N 462.575 5.014 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 920870540 TUPPBGPZKYXUBZ-LIRRHRJNSA-N 497.514 5.087 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@H](C)COCC(F)(F)F)C2=O)cc1 921254699 ZNSZWULFSCUZAH-YLJYHZDGSA-N 493.551 5.231 30 20 JKED Cc1sc(NC(=O)CN2CCC(c3ccc(C#N)cc3)CC2)nc1-c1ccc(Cl)cc1 1460861934 SWKGZJKCLLHZBE-UHFFFAOYSA-N 450.995 5.462 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)c(Cl)c2)C1 1780372017 YIIGGEVXFQCVHA-HYBUGGRVSA-N 467.437 5.113 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)cc1 1786334464 XSQZDFMBBAKSTL-FTJBHMTQSA-N 465.553 5.118 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(F)nc4)cc3)CCC2)c(Cl)c1 1786816712 UBEPQRNSFUMHFC-UHFFFAOYSA-N 476.939 5.126 30 20 JKED Cc1cc(C)c(NC(=O)OC(C)(C)C)c(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)c1 1787888869 KDKDRTYIZOTTDF-UHFFFAOYSA-N 490.604 5.702 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccnn4C)c(Cl)s3)cc2)CCC1 1788380650 SGTRMPZXRNKBLG-MRXNPFEDSA-N 499.036 5.141 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccco5)no4)cc3)CCC2)c1 1788419674 KPBRITVAZJFCFF-GOSISDBHSA-N 480.524 5.623 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)C[C@@H]21 1788737943 BELFFZAXZWIJKM-WOVHNISZSA-N 489.616 5.014 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4snnc4C4CC4)cc3)CCC2)c(Cl)c1 1788844260 ALNZRYDZEUKYHD-UHFFFAOYSA-N 477.977 5.002 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)c3ccccc3n4CC)[C@H]2C1 1789276119 WJIOAVQBGHXHSG-FSEMWLHASA-N 499.655 5.176 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCCO3)CCC2)cc1 1789507727 PWMOLLZKSOOXPO-HSZRJFAPSA-N 454.687 5.131 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc(Br)s4)CCC3)cc2)c1 1790148510 TXSAFNRSOPAPKM-VQHVLOKHSA-N 495.402 5.171 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ncc(Cl)cc4Cl)CCC3)cc2)cc1 1790287042 XJKGRDVDNCBRIT-UHFFFAOYSA-N 465.340 5.322 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3=CCCS3)CCC2)cc1 1790520043 URXBEXXBIKGZBC-FQEVSTJZSA-N 485.650 5.001 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(C(C)(C)C)cn4)CCC3)cc2)c1 1790795076 TYVXPNMEMUCBEL-UHFFFAOYSA-N 467.573 5.016 30 20 JKED C[C@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1)Oc1ccccc1 1791145892 OGIBCNULZZRAPB-HXUWFJFHSA-N 485.559 5.232 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3n[nH]c4cc(Cl)ccc34)CCC2)cc1 1791249633 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5.227 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1803416939 MIEJBBDBBRLRCO-BKULYWANSA-N 465.663 5.261 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H](C)Sc4ccccc4)C3)CC2)c1 1805857552 SPKRSSDKWSFYRC-FGZHOGPDSA-N 475.658 5.339 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1 1805937221 APZUVISETAKNLL-HXUWFJFHSA-N 464.572 5.472 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(C)c3[nH]2)[C@@H]1c1cccnc1 1809750790 NLICSHHPCZTGCO-DHLKQENFSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1810183818 YCKMYXPDBRSVMB-UNIVCBNLSA-N 489.019 5.371 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1810271043 CISGQYZQLIOGHA-RCZVLFRGSA-N 482.100 5.106 30 20 JKED O=C(NC[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811245542 ZMUYRHKBZZDPND-MJLPRTPSSA-N 489.619 5.157 30 20 JKED CC1(C)CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#Cc4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1811251401 JUPRDWOYDAGLLY-YTMVLYRLSA-N 491.635 5.237 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(C(C)(C)C)oc3C)[C@H]2c2cccnc2)c1 1811928272 YUGFQYFDWOHNGP-GJZUVCINSA-N 484.600 5.094 30 20 JKED Cc1ccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4)[C@H]3c3cccnc3)sc2c1 1812221756 VMYJGZAPIMETMW-BVAGGSTKSA-N 480.593 5.110 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302799 GXWAHODRBAQWED-DVECYGJZSA-N 489.522 5.512 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1812499919 FYAMFHNUDJQEOF-QPPBQGQZSA-N 480.052 5.465 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CCC3)[C@H]2c2cccnc2)c1 1812514059 CROCXEBRQUSUBZ-ZEQKJWHPSA-N 499.014 5.048 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[C@@H]2c2cccnc2)C1 1812956122 KUMWKRSFNBBVOB-JPYJTQIMSA-N 484.427 5.092 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(OC)c2)[C@H]1c1cccnc1 1813921118 NTALAWXYOLNKLS-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@H]1c1cccnc1 1813989914 AKLKPWQCGUUSIO-GGPAXRDESA-N 485.603 5.343 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1814301850 PMOMYSYBSPZAIG-OUTSHDOLSA-N 487.669 5.101 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)[nH]n2)C1 1814393861 ZLTNUWQIVJJENE-NRFANRHFSA-N 495.505 5.161 30 20 JKED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1)c1ccc(Cl)cc1 1814659596 DYLSKJHTZSZGQQ-HXOBKFHXSA-N 475.980 5.239 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815533824 QQCJRBWIUCWGSV-JTFJPCCOSA-N 480.556 5.088 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3ccc4ccccc4c3)n[nH]2)CC1 1817772165 DAZPOJDZTYKFHB-XMMPIXPASA-N 490.567 5.235 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818594172 HFUSHBVDBUUBQE-IBGZPJMESA-N 470.570 5.052 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@@H]4CCC[C@@H]5CCCC[C@@H]54)n[nH]3)c2c1 1818930830 DAUYIQYLAPSIOQ-PWSZPPJVSA-N 499.619 5.070 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2OCc2ccccc2)n[nH]1 1820237361 IHNMAFCKEVNHCP-JOCHJYFZSA-N 478.980 5.524 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)[nH]n2)c1 1821324857 JZMNLFXKWDGEPI-QHCPKHFHSA-N 486.963 5.344 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1823895770 GLMGFXVDXJQGJF-AREMUKBSSA-N 491.607 5.340 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1824502538 MWJWLDYNXNTEDE-NDEPHWFRSA-N 491.676 5.310 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1824541676 IBIDDEHMXWPGLC-IRLDBZIGSA-N 462.059 5.009 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1824958287 QLEWJIFNTGZBDQ-OAQYLSRUSA-N 481.687 5.307 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3)CC2)c1 1826369830 GHIYZDSZHABILA-CUNXSJBXSA-N 457.618 5.180 30 20 JKED CCC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)n1cccc1 1827632703 NKBINDZYJCAHSL-DQEYMECFSA-N 481.040 5.288 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)cc2s1 1827684000 TYDAMOBEEARDDJ-QQUYBBDPSA-N 495.670 5.272 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827854907 QJFBUXZQTPZJEU-CTNGQTDRSA-N 466.544 5.609 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CC2)CC1 1828447749 CFCFHCHOTHIDDQ-XMMPIXPASA-N 499.493 5.294 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)nc2F)CC1 1828904662 YDGFDBZZJLLGFU-NRFANRHFSA-N 492.111 5.159 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2)CC1 1828906926 QCSYKFRHHMRKFQ-XMMPIXPASA-N 456.678 5.110 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2Cl)CC1 1828906937 QMVATTOBKOAMAZ-NRFANRHFSA-N 463.094 5.217 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1F 1829966893 FIRPJRDALRODLM-XMMPIXPASA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)cc1 1830017585 ZWZLLLKSNMVDPS-HSZRJFAPSA-N 487.497 5.263 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c(C#N)c1 1830288634 SLFYHENAPKOTEK-GDLZYMKVSA-N 495.623 5.196 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830716643 DGFGHUKZSIZBCN-XMMPIXPASA-N 479.596 5.443 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1830716845 MOWGTFXUBYCARE-DEOSSOPVSA-N 492.982 5.379 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccn4c3)CC2)c(Cl)c1 1830721804 WXPBOIZHSCFRJI-JOCHJYFZSA-N 481.021 5.073 30 20 JKED CC(C)C1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CCC1 1830724931 WYEQGVWZASYDNV-QHCPKHFHSA-N 456.030 5.271 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccc(Br)cc2)CC1 1831367911 VANMBWRUJFOWKH-CVDCTZTESA-N 491.470 5.050 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1 1832091190 LKFSLGVIZDKUKY-IZZNHLLZSA-N 451.655 5.019 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832629184 LLUILLQNLSTONY-UMTXDNHDSA-N 489.685 5.728 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)CC2)CCC1 1832699875 HHOGTVXZVWEBBU-AREMUKBSSA-N 455.602 5.281 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)c1 1845569985 GNNWKHIAQYIBNK-IBGZPJMESA-N 485.534 5.390 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(CO)c1)c1ccc(F)cc1F 10172392 JSMSNDIAFGAHNP-UHFFFAOYSA-O 491.539 5.588 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173544 NKGBDTFRQNNQLE-UHFFFAOYSA-O 479.669 6.795 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113598 OGTBZHGIXIBLOK-UHFFFAOYSA-O 494.559 5.684 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)n(C2CCCC2)c1C 12473074 RQYAHECUBHMZJT-UHFFFAOYSA-N 455.971 5.526 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccccc2)cs1 14723505 BQKYIOBTJSSIIM-UHFFFAOYSA-N 499.979 6.097 30 20 JKED CCOc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2ccccc2Cl)cc1 15184648 ZEXCPQWFHVYRSV-UHFFFAOYSA-N 496.017 5.650 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccnc1 18404976 ILCNWUKFKFISOX-SFHVURJKSA-N 457.559 5.438 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nnc1-c1cccnc1 18405544 MJBGHDUMTALEDT-UHFFFAOYSA-N 466.567 5.099 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(CO)c1)c1cc(F)ccc1F 22730139 RUKYFXCJZGKEQQ-UHFFFAOYSA-O 491.539 5.588 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2cccc(O)c2)c(Cl)c1 22732729 QKJUAUUOJUZECK-UHFFFAOYSA-O 490.830 5.763 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)cc1 23563926 ICIRCGLCSSUBJU-KRWDZBQOSA-N 461.591 5.450 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 29200761 NORBNWMHPKQACF-UHFFFAOYSA-N 453.498 5.328 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccccc3Br)o2)sc2c1CCCC2 115409775 LNLMGWYDZSVZCJ-UHFFFAOYSA-N 489.420 5.432 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1C#N 483157624 NAYJZCXHNPHGCM-INIZCTEOSA-N 488.588 5.364 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 484590144 KBUDJOFHWVIABZ-UHFFFAOYSA-N 478.346 5.100 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1 486834784 GKRXXCKSLXPABQ-UHFFFAOYSA-N 475.976 5.018 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)n1 494084054 WBDLVBDHBGBCSW-UHFFFAOYSA-N 467.934 5.306 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1 500118056 BVVGIQMCCAFPGU-KRWDZBQOSA-N 462.359 5.092 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)c2)cc1 501440709 DQQLVDBODYJTJP-UHFFFAOYSA-N 456.933 5.482 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2C(F)(F)F)cc1 501485029 ZFRPYTZLTNSWAO-UHFFFAOYSA-N 490.485 6.097 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cc1 502689095 GQRIEXXNUPMCBM-OAQYLSRUSA-N 489.984 5.307 30 20 JKED COc1cc(CCC(=O)N(Cc2ccco2)c2ccccc2C#N)ccc1OCC(F)(F)F 505025376 SKMJZTUFJHORTM-UHFFFAOYSA-N 458.436 5.267 30 20 JKED COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc(OC)c1OC 505086189 FHJZRRCTAJLMOV-CYVLTUHYSA-N 471.557 5.171 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 509209253 GXZASQLWFNCACF-SFHVURJKSA-N 474.586 5.432 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccccc4COc4ccc(CC#N)cc4)CC3)c2c1 510618937 LVMYHERKTOJYMQ-UHFFFAOYSA-N 494.595 6.233 30 20 JKED CCc1cc(C#N)c(NC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)s1 511051950 ZBKLERKIOMFNDT-CYBMUJFWSA-N 480.640 5.820 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc2ccccc2n1C(F)F 511389781 FRGWQTXESUFHCU-QGZVFWFLSA-N 475.499 5.959 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)o1 514029171 NYRQOIXBTFVHKA-UHFFFAOYSA-N 451.454 5.308 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4cccs4)n3C3CC3)c2C#N)C1 514898323 WMJXSCCBTOKONG-CYBMUJFWSA-N 469.661 5.520 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 515699369 DZOACCAHTWTESJ-UHFFFAOYSA-N 451.482 5.543 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)O[C@@H](C)C2 517417122 BWYIFSMPVPXXHR-GJULWVSJSA-N 474.586 5.005 30 20 JKED COc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1ccc(Cl)cc1 517456335 NLXOIANXTICXQM-QGZVFWFLSA-N 466.990 6.432 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 517461145 AJVXSCUJZJGRAU-CQSZACIVSA-N 452.580 5.817 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-])c1ccccn1 517891444 MENBOQLVNGXXSB-MAUKXSAKSA-N 470.514 5.171 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)oc3ccccc23)s1 518667575 FBZHALRWEKSFFV-AWEZNQCLSA-N 480.640 6.389 30 20 JKED CSc1nnc(CCCNC(=O)Nc2ccccc2SC[C@H](C)C#N)n1C1CCCC1 518683197 LWLKBJOLJCGILP-MRXNPFEDSA-N 458.657 5.121 30 20 JKED CCOc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 519878244 BIPXRFNQSLCVPO-UZUQRXQVSA-N 461.949 5.210 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(CCCOCC(F)(F)F)CC3)cc2Cl)cc1 519992412 KCRXARALIKSNMR-UHFFFAOYSA-N 496.917 5.122 30 20 JKED C=CCN(CC(F)(F)F)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC=C 520168432 WHXLUMMQPAYPTQ-UHFFFAOYSA-N 465.328 5.107 30 20 JKED C[C@@H]1Sc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2NC1=O 520837523 YRELUMRWWULDKX-NSHDSACASA-N 451.495 5.396 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3oc4ccccc4c3CSc3cccs3)CC2)cc1 521422623 ADGQKFXSGLPFCI-UHFFFAOYSA-N 487.650 6.006 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccccc2F)c2ccccc2F)CC1 521539637 QKEXNXFZBBYBOF-UHFFFAOYSA-N 488.494 5.534 30 20 JKED COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524392722 AUQVIWVBBUQETH-UHFFFAOYSA-N 458.905 5.237 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccco3)cc2Cl)c1 524393090 NHZYAXBQEMYZBU-OAQYLSRUSA-N 463.921 5.017 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(OC(F)(F)F)cc1 524613898 MXBNAAAYYMHZMB-LSDHHAIUSA-N 454.539 6.412 30 20 JKED CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4S[C@H](C)CC#N)cc3C2=O)cc1 553281947 DPTDNFYNFDLURJ-QGZVFWFLSA-N 485.565 5.532 30 20 JKED Cc1ccc(-c2csc3nc(CSc4nc5c(cc4C#N)CCCC5)nc(O)c23)s1 585688245 AXJMBUGQOLYWHE-UHFFFAOYSA-N 450.614 5.872 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 603513989 FLDJVLNEZQKVNR-UHFFFAOYSA-N 457.537 5.290 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603650378 WLZBHDYKIVGURN-UHFFFAOYSA-N 474.373 5.015 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccc(Br)cc2)o1 603755194 GWYGHZBNTHUVFR-UHFFFAOYSA-N 453.336 5.544 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1c1ccc(OC)cc1 603765507 WNSZDCUXCLJQGS-LEAFIULHSA-N 498.583 5.473 30 20 JKED O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603829807 LGOHUGSYVVFMHK-BRPSZJMVSA-N 465.297 5.227 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 603966028 ZMRZQVGXCADJOA-UHFFFAOYSA-N 466.566 5.542 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cnn(-c4ccc(Br)cc4)c3)c2)c1 603995061 RDWISTZGABCJLF-UHFFFAOYSA-N 486.329 5.011 30 20 JKED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604156041 ITYIZQWKCNLTAY-UHFFFAOYSA-N 469.585 5.226 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604160015 RGJUQBCGULPAIB-LJQANCHMSA-N 472.397 5.698 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 604327289 HHOFJNSHKNINGW-QZTJIDSGSA-N 470.413 5.777 30 20 JKED COCCOc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609079513 FMUHACBCRUUCIE-UHFFFAOYSA-N 465.937 5.138 30 20 JKED CN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@@H]1CCCc2ccccc21 609086796 YVJJIZADHLCLGA-XMMPIXPASA-N 473.960 5.265 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 609211605 DJYWFOYPLFVCAJ-MHZLTWQESA-N 473.548 5.243 30 20 JKED CC(C)CC[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 609402640 FBHLOYPQLIDPQN-XLIONFOSSA-N 458.027 5.824 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1Oc1cccc(F)c1 609439923 VKENSUHBUMZVTL-KRWDZBQOSA-N 463.534 5.267 30 20 JKED N#C[C@@H](C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 613320013 PZANLRJIRDSZQI-SFHVURJKSA-N 453.354 5.852 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(OC)c(OC)c1Br 614507315 DLCRARXQGUAJJV-UHFFFAOYSA-N 494.386 5.254 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2C)c1 641929487 CMIVIEFJTVAMEU-UHFFFAOYSA-N 469.006 5.302 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc(Cl)s2)cn1 726114595 YCLWSWWHAOEOHR-GOSISDBHSA-N 488.038 5.087 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cc1 726315607 NJTHZANCCBDERI-NRFANRHFSA-N 464.352 5.172 30 20 JKED Cc1nc(CSc2ccccc2C(=O)OCCOc2c(C#N)cnc3ccccc23)cs1 726362080 FINVMAIEFQNFEW-UHFFFAOYSA-N 461.568 5.400 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3/CCc4cc(O)ccc4C3=O)cc2OC)cc1 726427705 UGHWUPCPZQUJRN-ZHZULCJRSA-N 473.525 5.030 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Br)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726572448 FVQYAKBQDWUATO-UHFFFAOYSA-O 492.462 6.339 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3[nH]ccc23)c1 726799432 LARICLJZQITQEG-UHFFFAOYSA-N 495.988 5.464 30 20 JKED Cn1c(SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnc1-c1cccs1 726858328 IDYQKKIDAPWZEN-NSHDSACASA-N 479.534 5.141 30 20 JKED Cc1cc(C(=O)CON=Cc2cccc(OCc3ccncc3)c2)c(C)n1Cc1cccs1 727435914 XTRODHIYENZMME-UHFFFAOYSA-N 459.571 5.422 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 728389838 AXLRSYWETSXMCB-NRFANRHFSA-N 476.939 5.124 30 20 JKED COc1cccc([C@H](C#N)NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c1OC 729430016 QAVONBLFQAFHLF-QHCPKHFHSA-N 457.505 5.305 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 729633615 FSOPNHDCLDTVCP-OAQYLSRUSA-N 482.968 5.343 30 20 JKED N#CCOc1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccc(Br)c2)cc1 729685296 FENACMZEEXITKU-UHFFFAOYSA-N 473.374 5.494 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCC2)C1=O)Nc1ccccc1Br 730461391 NSRMXIPFKQVYFM-SFHVURJKSA-N 492.826 5.615 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C\C(=O)c1ccc2c(c1)NC(=O)CO2 730589577 XIGZFLOSEBGKIX-SREVYHEPSA-N 461.827 5.080 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 730687978 QXBLDYGLENPRES-DZGCQCFKSA-N 499.441 5.005 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N 730949452 VGPDLUPHCQSICR-MRXNPFEDSA-N 480.663 5.081 30 20 JKED O=C(NCCc1ccc(Br)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 731049270 SNIWDYMDQJDRSV-PJXYFTJBSA-N 479.234 5.339 30 20 JKED C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731076864 CDKPDUOKIYFXKT-MOPGFXCFSA-N 489.597 5.278 30 20 JKED CC(C)c1nc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1ccccc1Cl 731079496 WTPNSQBURPAEIP-INIZCTEOSA-N 498.008 5.091 30 20 JKED N#Cc1ccc(F)c(COC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c1 731098802 ANUSBXQQFBWDJH-UHFFFAOYSA-N 474.748 5.245 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccc(F)cc1)c1cccs1 731312479 OHROHHAFRBSAAE-ZRGIPMBISA-N 497.617 5.225 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(N3CCCCC3)cc2)c1 742483850 ZPGWZDHAWJCCDY-UHFFFAOYSA-N 484.625 5.209 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 745989777 ZRVAYWQTGRJFDK-UHFFFAOYSA-N 456.483 5.484 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccccc1 747602106 IEVYBZMOCCRODX-SFHVURJKSA-N 491.425 5.610 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3ccc(Br)cc3F)n2)cc1 748009959 LHAQPSJPLDWQLK-KRWDZBQOSA-N 491.407 5.830 30 20 JKED O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1ccc(N2CCOC2=O)cc1 748583073 AMUJBUJCBLGUFM-TWGQIWQCSA-N 455.333 5.425 30 20 JKED COc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc(Br)c1OC 749187951 CWBUEAHUNCFIAH-HXUWFJFHSA-N 480.362 5.443 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C)cc2)ccc1Cl 751217211 SATNZBGHALXWEY-UHFFFAOYSA-N 454.979 5.306 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(SC(F)F)cc1 799210631 VFFOBZNEQXIFEX-SFHVURJKSA-N 493.988 5.557 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C(C)C)cc1 799216446 VSTWNMSXDFIUQA-NRFANRHFSA-N 469.994 5.066 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC(F)F)cc1 799219862 ZOCJHMOWGHSADK-NRFANRHFSA-N 479.508 5.035 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)nc(O)c2C#N)cc1 824935497 IBPXQXUVYXWRDN-KRWDZBQOSA-N 498.564 5.641 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837838614 WVSXVFMACZRDSE-CVDCTZTESA-N 458.587 5.420 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 837885473 FQKDXIRECAMYKR-QVKFZJNVSA-N 482.968 5.596 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccs2)C1=O)Nc1ccccc1F 837889743 XKSMZYZOPQJRCT-IBGZPJMESA-N 473.982 5.701 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@H](C)c1ccccn1 838226933 PPWBYEGECXCHQT-NLFFAJNJSA-N 486.641 5.982 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 838280656 PCZMWEXNBSBWKN-HXOBKFHXSA-N 476.577 5.505 30 20 JKED CCOc1cc([C@@H]2NC(=O)N(Cc3cccs3)C(c3ccc(C)cc3)=C2C(C)=O)ccc1O 840198169 ABGUZEKJQSIECD-DEOSSOPVSA-N 462.571 5.428 30 20 JKED C=CCOc1c(Br)cc(CNc2cc(C(=O)NC)ccc2Cl)cc1OCC 863997684 DFKIQBNJJKLTBG-UHFFFAOYSA-N 453.764 5.038 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103908 HNHQCINKELNYMQ-PKOBYXMFSA-N 455.461 5.456 30 20 JKED N#C[C@H](C(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1nc2cc(C(F)(F)F)ccc2s1 915104153 MBZPLVLAFPWHMQ-GFCCVEGCSA-N 465.840 5.143 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OCC)cc1 916213703 FTDCFLPBLYYBSY-FQEVSTJZSA-N 493.551 5.865 30 20 JKED COc1cc(C=Nn2c(S)nnc2SCc2ccccc2)ccc1OCc1ccc(F)cc1 916368792 NULVRCPWNFWHIE-UHFFFAOYSA-N 480.590 5.468 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cc3ccccc3nc2N2CCCCC2)cc1 916546416 PVSSBAJWEDGOKY-UHFFFAOYSA-N 463.010 5.645 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(OCc2ccccn2)c1 916680481 IFSGCEQFCNLFQK-PIKZIKFNSA-N 462.553 6.199 30 20 JKED N#C[C@H](C(=O)CCCOc1ccccc1Br)C(=O)Nc1ccc(SC(F)F)cc1 916887656 OANOYHCILNLSEK-OAHLLOKOSA-N 483.334 5.270 30 20 JKED N#C[C@@H](C(=O)CCc1ccccc1Br)C(=O)Nc1ccc(SC(F)F)cc1 916888194 SRALQGLOGQICBO-HNNXBMFYSA-N 453.308 5.044 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916908370 PNAFVNGFOCKQQE-OLHLWXQYSA-N 482.424 6.210 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 916910168 FSUCEIIQDXIRKC-OAHLLOKOSA-N 455.898 5.063 30 20 JKED N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928307 JNALKXKHIGTQAI-SECBINFHSA-N 466.535 5.680 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1Cl 916941248 QWHYVSAVWXPVOQ-LKUPDRCFSA-N 471.365 6.091 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc(-c3ccco3)nc21 917119400 CEMLILBZMYYEIK-QHCPKHFHSA-N 461.525 6.180 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2nnc(-c3ccccc3)n2-c2ccccc2)cs1 917547754 APSWQOUMYSQDBE-UHFFFAOYSA-N 493.596 5.830 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@@H](C)c2ccccc2)cc1 917610546 UEWNIQDDBSPQST-FQEVSTJZSA-O 474.650 5.641 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 917668958 NIMVASXHHAVIBZ-YADARESESA-N 487.629 5.178 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(F)cc2)n1 917678545 XFCOSJGZJBUBBX-NRFANRHFSA-N 482.968 5.343 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccccn1 917697835 QZHOZXRNBGHJGG-JOCHJYFZSA-N 464.635 5.129 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCC(C)C)C1=O 917704535 LODJDIBZRHGSKI-HSZRJFAPSA-N 478.618 5.353 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccsc2)C1=O 917704724 XVXKBQPEIOCZRP-NRFANRHFSA-N 495.029 5.742 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 918169412 FUMGPTLYLSAQOE-XMHGGMMESA-N 460.621 5.083 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918608497 JWYCURILPMNKFD-XAYXJRQQSA-N 498.674 5.097 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2cc(Cl)ccc2s1 920112526 DNHOFQAUTKZVHJ-QWHCGFSZSA-N 464.761 5.486 30 20 JKED Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807081 XLGAQLSZDKFAAM-XLIONFOSSA-N 467.541 5.418 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1OCC#N 920845115 MTLHVWSVAVESJG-UHFFFAOYSA-N 453.420 5.421 30 20 JKED N#Cc1ccc(N2CC[C@@H](OC(=O)c3cccnc3Oc3ccc(Cl)cc3Cl)C2=O)cc1 920913286 ZAHGITLDQAYOBO-HXUWFJFHSA-N 468.296 5.015 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C#N 921254618 QHSFFJACSWMXEE-QFIPXVFZSA-N 499.036 5.297 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(C2SCCCS2)cc1 925497514 WVZMVMWGZKDPMM-KRWDZBQOSA-N 470.616 5.056 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 1520416693 WHXQFHOTOQLWDF-FQEVSTJZSA-N 451.876 5.148 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)CC3CCN(C)CC3)cc2)CCC1)c1ccccc1 1785914382 FAMXCGVSFOVLGJ-MHZLTWQESA-N 471.645 5.050 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ncc(C(F)(F)F)cc3Cl)CCC2)cc1 1786366957 KRPLXKYCOBWPPI-UHFFFAOYSA-N 495.929 5.484 30 20 JKED Cc1ccccc1NCC(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1788108907 BHBHLYXGGHWNTG-UHFFFAOYSA-N 466.585 5.046 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)cc2)CCC1 1789293388 AWHNCBOBDMKDPY-IBGZPJMESA-N 490.551 5.284 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COc3cc(Cl)ccn3)CCC2)cc1 1789456217 MCJNTOMRSQFFLM-NRFANRHFSA-N 453.970 5.016 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Nc3cccnc3)CCC2)cc1)c1ccccc1 1789601964 GGTSZGLAFAEFKJ-CUNXSJBXSA-N 480.612 5.213 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)C4=Cc5ccccc5NC(=O)C4)cc3)CCC2)c1 1789999555 GBFWIXYCMQEJMA-UHFFFAOYSA-N 490.563 5.040 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c(Cl)cccc45)cc3)CCC2)c1 1790844982 OPHBWNHGSMRGKJ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)cc(Cl)c4n3)CCC2)cc1 1791575058 HBLMCSRDFNGRMD-GFCCVEGCSA-N 496.942 5.073 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CCC2)cc1 1791579604 YMWLQBFANIXFGW-QGZVFWFLSA-N 470.598 5.296 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3sc(C)nc3C)CCC2)cc1)c1ccc(O)cc1 1791646462 SJJLZEYNVJPLAS-OAQYLSRUSA-N 487.625 5.410 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)[C@H](C)n3ccnc3C)cc2)CCC1)c1ccccc1 1791933327 VPVMXZOFBYSYCM-HFZDXXHNSA-N 468.601 5.084 30 20 JKED COc1ncc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cc1C 1792168382 UJVBVRYOTXKWOX-UHFFFAOYSA-N 498.583 5.119 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c5ccccc5n5ccsc45)CCC3)cc2)CCC1 1792231551 WPCIKEWZMQANMM-UHFFFAOYSA-N 468.582 5.596 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)CCC2)cc1 1792262780 VZYMYVOHCZWGSN-RUZDIDTESA-N 489.616 5.108 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Br)cccc4n3)CCC2)cc1 1792264760 DBTFGLFNYPMAGB-UHFFFAOYSA-N 476.374 5.158 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)cc1C#N 1792377882 HVZHPMIGMLQDCK-MUUNZHRXSA-N 493.554 5.839 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2 1792573741 AHUFJLZXFNVPLT-KAOXLYBCSA-N 489.701 5.091 30 20 JKED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2cccc4ccccc24)C3)CC1 1795848819 YHIKXZJUVCNMFD-KOUNCHBCSA-N 465.553 5.188 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)Cc3ccc(CCCCC)cc3)[C@H]2c2cccnc2)C1 1802414487 SQPXLURSINIWED-LSYYVWMOSA-N 459.634 5.029 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1802499099 FTJZZQNLKFNUCL-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1802503084 PZFDGAXGSMCDDB-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCc1ccnc(-c2cc(C)ccn2)c1 1802726256 OMASATJNPJQOCS-QYOOZWMWSA-N 486.660 5.181 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1803089334 OCKFACXVMULSOU-RSXGOPAZSA-N 453.671 5.852 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)C1 1805458764 XSBAKJZJYSRZBU-UHFFFAOYSA-N 454.014 5.435 30 20 JKED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1806869557 RYRQFRBLJZLVON-FIBWVYCGSA-N 488.676 5.755 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1)C(F)(F)F 1809442679 BMWYTERGNKPZOH-YWZLYKJASA-N 493.938 5.388 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)c1 1809625108 NPLKHOSJSZSPFU-OIIPXEDWSA-N 498.671 5.635 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(F)c2)[C@H]1c1cccnc1 1810172502 PVTYWNIWVSIRTN-LOLUNWTRSA-N 498.602 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1810500426 PRTDBNGGBORYDB-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cccnc3SCc3ccccc3)[C@@H]2c2cccnc2)C1 1811162767 LOORUSSLYGHIHM-OZXSUGGESA-N 498.652 5.055 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)ccc2[nH]1 1811420642 PURRHKIRFYMDPR-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1811766725 NKLAANCTAFMFFA-MZKRTTBSSA-N 471.523 5.188 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1811859237 UTNDACJNPLAFAL-LBNVMWSVSA-N 486.660 5.160 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812590795 ONGFHATWSPCBBO-ZVOVDXHFSA-N 467.569 5.513 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1 1812808298 GOVGZCBOEODTDZ-AHWVRZQESA-N 460.622 5.269 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1812957792 GBULTHXIVPFNLC-JDXGNMNLSA-N 494.639 5.248 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)cc12 1813866460 RZYIZWPPVBPRSN-MUXSNRJPSA-N 491.595 5.132 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@](C)(OC)c3cccc4ccccc34)[nH]n2)C1 1814391775 IIBVGIQYWSTUQI-CUBQBAPOSA-N 472.589 5.083 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCc3ccccc3F)n[nH]2)c1 1814854212 NMPHDJXFDUFGPY-CLOONOSVSA-N 487.579 5.505 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1815207960 QLIURWDJOGVINT-GOSISDBHSA-N 499.826 5.659 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3ccccc3)n[nH]2)c1 1818228729 SPQKBNIPSXEBIN-XMMPIXPASA-N 494.530 5.102 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)n[nH]1 1818816907 MLOJKQYIANMRPW-LUFJGRFYSA-N 489.620 5.598 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)[nH]n1 1819309138 NBSNXDSXVRGLEN-LADGPHEKSA-N 494.636 5.210 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)[nH]n1 1819311089 KTVNUFGNVMZCBS-OFNKIYASSA-N 480.584 5.412 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1819365299 HEVCYTBIMRDHJS-DNQXCXABSA-N 490.579 5.095 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)[nH]n2)c1Cl 1820221562 XFPCQQOROVGXSE-VWPQPMDRSA-N 473.964 5.044 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)cc1 1820470048 ZIKONSGFACYCNE-NRFANRHFSA-N 481.478 5.114 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1820971127 YOEORTQBMHLXAI-OXJNMPFZSA-N 497.983 5.430 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2)c1 1821273488 MGEBBPYJKLAJEU-FQEVSTJZSA-N 486.334 5.347 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4c(Cl)cccc34)n[nH]2)c1 1821543222 MALCCUKNCOHCCH-OAQYLSRUSA-N 472.936 5.036 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1821919673 AOLAKYLHRHJOOA-AUSIDOKSSA-N 457.578 5.298 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823315505 OOUKZWQUZWTTQO-UGSOOPFHSA-N 479.806 5.344 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC3Cc4ccccc4C3)n[nH]2)c1 1823560785 YIWCBIBFWRRKMR-AFMDSPMNSA-N 481.600 5.148 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(OCc4ccccc4)ccc3O)CC2)C1 1823701338 HWBGBLLKTJPMIS-MHZLTWQESA-N 488.628 5.171 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823719030 CRXKGEJXSXUADL-YJWVYYLQSA-N 475.658 5.712 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)CC1 1823750626 CLNGEGBKJFVKIJ-XZOQPEGZSA-N 489.701 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1 1823901701 WKATVKNWOWWHRH-CJAUYULYSA-N 481.999 5.653 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1824143599 OATHSHOXLYTKQG-MUUNZHRXSA-N 471.645 5.750 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCC3)CC2)cc1C#N 1824354778 LNOZRKHGDLHHDI-RUZDIDTESA-N 465.638 5.159 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824829792 JAXTVKAKCFQRHG-BWWMBTDCSA-N 468.604 5.743 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1824863998 PGVSTMGEXNMQJW-MUUNZHRXSA-N 471.645 5.052 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1824961149 JAJQLBGUTGUKNX-OAQYLSRUSA-N 456.677 5.362 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c1 1825856541 FFGRYLXHWHHEBP-UWJYYQICSA-N 470.038 5.576 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cccs3)CC2)c1 1827080301 TYZIGXNXEPYYMO-PKRWUHDQSA-N 461.631 5.322 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2Cl)CC1)c1cccs1 1827683979 SKOHPUSLHCPXHQ-MHNQQFQPSA-N 489.012 5.213 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321273 MHYXQCCZJMLSLG-KBXCAEBGSA-N 451.057 5.106 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828507932 KJKJWVBDYPJQEV-QHCPKHFHSA-N 496.449 5.385 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1828822060 VOYFLGNYMWWIFR-SJNSKEMXSA-N 459.634 5.569 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 1829067221 GAJIVDSERUQLBJ-JOCHJYFZSA-N 451.611 5.362 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829140265 XCKQJQSJTYWCKJ-QUCCMNQESA-N 451.533 5.035 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829621542 MMCPLTNVQGNBEN-WNCULLNHSA-N 499.655 5.431 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)CC1 1829648350 SMABXFYRHHQIKP-QGZVFWFLSA-N 485.909 5.035 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c1Cl 1829688644 FCMLPIAIHQBIOR-HSZRJFAPSA-N 456.030 5.415 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705656 NYVLIHSKYKBDRZ-RRPNLBNLSA-N 492.635 5.299 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)ccc1Br 1830015139 JRHGIZPLHQUOCA-DEOSSOPVSA-N 494.433 5.176 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830446094 DPIKUPKSNHWBRV-GDLZYMKVSA-N 477.608 5.034 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830653751 CNPBYJGMPHRQSA-SFHVURJKSA-N 477.354 5.577 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)c1 1830770800 HNAKSNXDBLXIHK-VWLOTQADSA-N 498.652 5.537 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)cc1 1831058961 BANNFKOUDRAMFV-MHZLTWQESA-N 491.591 6.005 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1831502903 LKPZYWZHAHRACH-QDPGVEIFSA-N 471.645 5.304 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832042219 NYMXCRVZAOJXRX-IDISGSTGSA-N 489.685 5.512 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)c1 1832632350 NUDGSJBBGYLPRN-KOSHJBKYSA-N 474.630 5.404 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCC[C@H]3C)CC2)cc1C#N 1832703073 AVPAQOJAXGBCBM-DCEDVJGZSA-N 465.638 5.015 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1832727333 BCMCSXFQRYCBHI-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1832828101 OQNMOENNDCYEGM-HSZRJFAPSA-N 478.555 5.055 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1832984473 ZKXUXSVOXHKYIJ-APJNYFBKSA-N 498.614 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)CC1 1835814461 ZMGMVXUAYIGQNF-HXUWFJFHSA-N 474.089 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)CC1 1836746545 TVZQYPLWXGHOMG-AREMUKBSSA-N 468.682 5.417 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)CC1 1838373456 PDLFLQDEEUOSPI-OAQYLSRUSA-N 484.040 5.202 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc4ccoc4c3)CC2)CC1)c1ccccc1 1838416594 BRTVWQXOXCOESM-NDEPHWFRSA-N 498.623 5.242 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1838423963 XXAOKBXMWCEPNS-UHFFFAOYSA-N 495.491 5.906 30 20 JKED CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 1857591100 MBWXNTAXLNYFJB-ZEQRLZLVSA-N 450.707 9.158 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCCC#N)n2-c2ccccc2Cl)cc1 8622044 BXJMMSSVSIMHJD-UHFFFAOYSA-N 453.999 5.007 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccccc1 12239412 BGBWFEKGXCGSDY-UHFFFAOYSA-N 460.607 5.267 30 20 JKED C=C(C)CNC(=S)N(Cc1cccs1)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 18162349 CPANWXCLCKQFME-UHFFFAOYSA-N 476.715 5.528 30 20 JKED CCCCCCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccc(Cl)cc1 21236638 NURMOCKASQYIDE-UHFFFAOYSA-N 493.036 5.705 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1nc(-c2cccc(C(F)(F)F)c2)no1 21480320 OCIQETSVBWAXQE-UHFFFAOYSA-N 496.474 5.149 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nc2sc(C)c(C)c2c1=O 23405154 CBADLNDLYNNDDB-SECBINFHSA-N 489.491 5.076 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc(C(F)(F)F)c2)c1 28782816 IHBHAEWDSCDJEI-UHFFFAOYSA-O 460.457 5.260 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 69263058 WKBPKKZNAASWBD-SFQUDFHCSA-N 497.016 5.519 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)cc1 78716805 QGTHOTYKBQRSOU-UHFFFAOYSA-N 477.883 5.293 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1F 195569244 ATADCKCWUWHPBG-GFCCVEGCSA-N 451.354 5.696 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccccc1F 217155041 MCWZSISKUXWDLA-UHFFFAOYSA-N 481.778 5.417 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 303120618 AAEYANDYESGXKW-UHFFFAOYSA-N 481.499 6.635 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 303357414 PCUUIMOBVRWDIT-UHFFFAOYSA-N 474.948 5.258 30 20 JKED Cc1nc(NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)sc1SCC#N 410415398 VRVAJDUNPBYTJW-UHFFFAOYSA-N 488.436 5.147 30 20 JKED Cc1sc2ncnc(SCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2c1C 488013582 IWYUWNQQYJRWIA-UHFFFAOYSA-N 476.602 5.640 30 20 JKED COc1ccc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1OCCCC#N 494066990 TZFAHZZMDHMRIH-VBKFSLOCSA-N 455.436 5.051 30 20 JKED O=C(Nc1cccc(OC(F)F)c1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 498406157 NYYVKCAZMPDDTD-UHFFFAOYSA-N 459.289 5.423 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 499778794 IEPYKYXLPNTZMM-UHFFFAOYSA-N 481.409 5.650 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 509725220 SDTCAMGMVFVQDB-SWVCQTRFSA-N 455.558 5.361 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2=Cc3cc(Br)ccc3OC2)cc1 515654987 KEZDPNXVEZPPGM-UHFFFAOYSA-N 475.342 5.509 30 20 JKED CCOC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(OC)c1 516635463 DMMGJBVDXDTVCA-HSZRJFAPSA-N 459.502 5.175 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCNC(=O)C[C@H]3c3ccccc3)cc2Cl)cc1 519058307 YKFIEOKZGZLREY-QFIPXVFZSA-N 460.921 5.099 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)cc2)cc1 519979194 SNDFHGQLMHIOHE-QFIPXVFZSA-N 477.467 5.195 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 520601332 NXIVZKJNRHZGNJ-IBGZPJMESA-N 492.601 5.264 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 520933132 SLTKFTMMGHCIPW-QGZVFWFLSA-N 456.011 5.301 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F 520943941 PDAAHYMKIAHHLP-OXJNMPFZSA-N 475.536 5.792 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)CC2)c1 521516173 CVDYGOOMXWTBBU-SANMLTNESA-N 487.987 5.143 30 20 JKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(OC)cc2)cc1 521748774 IQAGATROMXZEJP-UQBPGWFLSA-N 475.614 6.061 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC1CCCC1 521805170 XUJDUXWCVFYEKW-ZWKOTPCHSA-N 481.618 5.227 30 20 JKED CC(C)(C)OCc1cccc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 522440888 DELRKCIKNDSZQZ-UHFFFAOYSA-N 487.625 5.534 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 553337817 WAXADBSLUPNZLK-UZLBHIALSA-N 477.552 5.942 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2ccc(Cl)cc2)cs1 588348943 JDJRUAOYXMGKQY-OAHLLOKOSA-N 465.943 5.806 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2cccc(C(F)(F)F)c2)CC1 589758394 KEMLWMFFJKUMJR-CHWSQXEVSA-N 462.356 5.903 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(F)ccc1Br 591658677 WNOPHCXONURXTI-UHFFFAOYSA-N 452.324 5.376 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2n[nH]c(COc3ccc(Cl)cc3)n2)c1 597863948 IZPPBLYJBCZHBV-KRWDZBQOSA-N 469.998 5.081 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)cc1 603690456 JPFPKYIDEXALQM-JOCHJYFZSA-N 458.909 5.044 30 20 JKED N#Cc1c(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)sc2c1CCCCC2 603806910 XYHTWBXDGSRVQB-QFIPXVFZSA-N 457.555 5.083 30 20 JKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)n2)cc1 604003160 GUXIHDXYYIBVPC-UHFFFAOYSA-N 480.568 6.076 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)s1 604089874 PETIXBLDIROWEN-UHFFFAOYSA-N 480.977 5.364 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nc2ccccc21 608784974 LXWMDXJTEUWQHG-QHCPKHFHSA-N 452.518 5.484 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCC2(c3ccc(Cl)cc3)CC2)c1 608968747 WQKZOJMUAQSBMV-UHFFFAOYSA-N 476.001 5.404 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccc(NC(=O)c4ccncc4)c3)c2)cc1 609209258 HFBHSKVTNHZWSK-UHFFFAOYSA-N 463.497 5.320 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nnc(Cc3ccccc3F)s2)cc1 609398048 AGNYZLNSGCAKSZ-UHFFFAOYSA-N 475.524 5.513 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCc2cccc(Br)c2)cc1 609422333 LQAGNRYJXJNWOM-UHFFFAOYSA-N 478.390 5.848 30 20 JKED O=c1c(Cl)c(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1F 613438164 ULKDPZZPLWQLHV-IUCAKERBSA-N 475.767 5.486 30 20 JKED CC(C)c1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 642161205 CCDORKDBOBRDMX-STQMWFEESA-N 465.413 5.774 30 20 JKED C=CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 645077557 JDCIYCBNODXATC-ILBGXUMGSA-N 469.566 5.693 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccc(C)cc2)no1 645079359 IYHPWOXCMCEYBU-UHFFFAOYSA-N 453.955 5.347 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ncc(Cl)cc2Cl)c1 670958967 OGLRZEGJVNQKEV-UHFFFAOYSA-N 496.803 5.675 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(C3CCN(C(C)C)CC3)C2=O)cc1 726422112 UWOZXRWEIDRDFL-RHXRZIKDSA-N 498.718 5.319 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726422257 UWKNHXLJJDGCMP-SPXBZFAHSA-N 499.580 5.489 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)n(C)c2C)cc1 726570944 OGLWYOBREISUDS-UHFFFAOYSA-O 494.084 6.681 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C/c2cccc(Br)c2)cc1 727357287 PQJCXMNDQZVZRE-FYWRMAATSA-N 483.387 5.507 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3ccccc3Cl)n2)c1 727561844 NLJHCNGNHFAQGE-KRWDZBQOSA-N 467.978 5.573 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cc(I)cc(C(F)(F)F)c2)cc1 728023342 KWJBXYMUIJTKQI-UHFFFAOYSA-N 458.221 5.179 30 20 JKED CC(=O)N1CCc2cc(C(=O)[C@H](C)Nc3ccc(OCc4cccc(C#N)c4)cc3C)ccc21 728062907 QSGAWQQSRPLBJF-IBGZPJMESA-N 453.542 5.038 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)cc1 728412041 QTFDZQZZPLYZQG-OIKPOIBNSA-N 451.570 5.198 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728776429 BPFZGZQBPXFEAB-OAQYLSRUSA-N 469.010 5.611 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)c1 728778206 RMSFNKYUZCZHHC-FQEVSTJZSA-N 488.972 5.142 30 20 JKED Cc1ccc(C)c(-c2nn(CN3CCC(Oc4ccc(C#N)cc4)CC3)c(=O)c3ccccc23)c1 728902882 CRNNYBKBPJVVJL-UHFFFAOYSA-N 464.569 5.053 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)cc1F 730461783 HWKYQLSREVIZFA-FQEVSTJZSA-N 475.973 5.309 30 20 JKED C#CCOc1ccccc1OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 730510523 SDTDSAACORIWJV-MRXNPFEDSA-N 476.579 5.303 30 20 JKED CSCc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc2ccccc12 731061061 UHFQMSWXAPKYBB-HNNXBMFYSA-N 454.573 5.343 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 731067483 VYNYQWZEULIGBU-LJQANCHMSA-N 497.580 5.124 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1C 731309543 XDUYDERHZIKIDM-DEOSSOPVSA-N 495.645 5.319 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 731332050 BUJMBSRBVLMJBN-QGZVFWFLSA-N 492.066 5.551 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1OCCCC#N 747472896 ILQYNKNRWXSKKW-UYRXBGFRSA-N 478.517 5.802 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc2cc(Br)cc(Br)c2o1 747560239 ABRRDMAAOMVAOV-LLVKDONJSA-N 496.542 5.572 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 748986648 YDRHBXZUQRDMGG-JOCHJYFZSA-N 483.012 5.764 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 749360875 JOABUDVORPCFQX-UHFFFAOYSA-N 473.330 5.385 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccccc1 750399279 ZZNKGTGVTONLHN-WMLDXEAASA-N 482.034 6.148 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)nc2C)ccc1Cl 825494967 BARCQLNVVUQBDT-UHFFFAOYSA-N 469.994 5.294 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1C 837403202 BLYAQKSHUFBIOM-WZONZLPQSA-N 476.577 5.559 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@H](C)c2cccnc2)c1 838285792 PTFVCFBTRHVSSJ-HOYKHHGWSA-N 488.613 5.374 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N2CCCC2)cc1 915353665 VYDUESDNHGSUAA-SXOMAYOGSA-N 454.574 5.309 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c2C)cc1Cl 915532656 VYGBEAAMJAAIHY-UHFFFAOYSA-N 488.975 5.288 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccco3)C2=O)c1 916208092 SXTWLTBUYNXNFJ-HSZRJFAPSA-N 493.585 5.074 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1F 916214615 PUGMOEQTKXMIBQ-FQEVSTJZSA-N 486.931 5.174 30 20 JKED CC(C)c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 916312769 OEPCNNPVOLWFOF-UHFFFAOYSA-N 467.396 5.188 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2cccc(Br)c2)n1 916903176 LIXBMFJJQDEVAL-HXUWFJFHSA-N 496.430 5.587 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 916906049 BENPMBUHDGIYDR-DEOSSOPVSA-N 497.551 5.175 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 916912768 KFVRAOPUBGPWHD-HSZRJFAPSA-N 454.555 5.150 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(COc3ccc(F)cc3)n2)cc1 916915197 GRZXAYIBUOELSA-FQEVSTJZSA-N 451.523 5.165 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 916930858 LEIUIOBTCQRRIC-HSZRJFAPSA-N 456.542 5.533 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916932032 PFLGIEBZPWZAEV-INIZCTEOSA-N 462.333 5.230 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2c(C)c(C)sc2n1 916976564 SLSQGJURBATDGQ-MRXNPFEDSA-N 485.059 6.362 30 20 JKED Cc1cccc([C@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC(N)=O)c1 916996191 HUSRCGKHOYFPTQ-WMZOPIPTSA-N 473.385 5.401 30 20 JKED COc1cc(/C=C/C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCc1c(C)noc1C 917040540 LLSWVXGRDCWSMT-LNENJAERSA-N 492.482 5.514 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 917431090 YRSLMNUJXXGJAP-SFHVURJKSA-N 496.036 5.811 30 20 JKED O=c1c2cnn(-c3ccccc3)c2ncn1N=Cc1c(Cl)cccc1OCc1ccccc1Cl 917535989 FLZMRKOXAOYVLO-UHFFFAOYSA-N 490.350 5.350 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(Br)cc2)cs1 917558164 MBFBLAIDIYBIQF-DHZHZOJOSA-N 461.768 6.140 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 917692420 CXGCPLZBHZOCAB-SFHVURJKSA-N 484.380 5.129 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)NCc1ccccc1 917699254 AHJRJJFRBLCECI-FQEVSTJZSA-N 471.504 5.040 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccc2c(c1)CCC2 918110344 XVMPZHNTIIUYPT-MHZLTWQESA-N 478.621 5.704 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 918220014 GLGXXHVCFHKGOE-HOTGVXAUSA-N 451.995 5.052 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc1 918449364 MSNQAPFAIKEYMD-KAYWLYCHSA-N 479.967 5.840 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1 920806846 RFQWIQWGKSRJSD-INIZCTEOSA-N 451.523 5.939 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(Cc4ccc(F)cc4)n3)n2)cc1 920878219 WDVGQLYLPXDXOE-HXUWFJFHSA-N 463.559 5.424 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C(C)C)n1 921252950 LYQLRMWHDIVHCE-CQSZACIVSA-N 466.419 5.566 30 20 JKED C[C@@H](COCC(F)(F)F)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 921254231 OHRGSWYDIXOULW-KSSFIOAISA-N 499.942 5.268 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cn3ccc4c(F)cccc43)cc2)CCC1)C(F)(F)F 1786107601 CGBRHMXDKZEUFY-UHFFFAOYSA-N 459.443 5.033 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)CCC1 1786273139 UDCBCZOKKABIBH-HSZRJFAPSA-N 487.644 5.162 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)c(Cl)c3)CCC2)cc1 1786394055 PYOVIHQQOKUDSZ-KRWDZBQOSA-N 452.407 5.091 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4CCCCO4)cc3)CCC2)cc1C#N 1786650096 SUOLCXGHERGPDO-DEOSSOPVSA-N 475.589 5.052 30 20 JKED CO[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1)c1ccccc1 1787852101 FFQPPVYVHXLMMU-FNZWTVRRSA-N 467.569 5.449 30 20 JKED COc1cc2oc(C(=O)NC3(c4ccc(NC(=O)CCC#N)cc4)CCC3)cc2cc1Br 1787888843 GSNUWDIUMKTVJX-UHFFFAOYSA-N 496.361 5.255 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CC[C@H]4CNc5ccccc5C4)cc3)CCC2)c1 1788067210 HXJKZWPGCXNYOW-JOCHJYFZSA-N 478.596 5.371 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CC[C@H]4CNc5ccccc5C4)cc3)CCC2)cc1 1788068063 SFNMNCAMSXYZSR-JOCHJYFZSA-N 478.596 5.371 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5ccc6cnccc6c5)cc4)CCC3)c2c1 1789015320 PVFBDXVNUOSNQU-UHFFFAOYSA-N 486.535 5.044 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ncccc4[nH]3)CCC2)cc1 1789508984 GIQKTJWVVASGOZ-UHFFFAOYSA-N 472.665 5.362 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3Cl)CCC2)cc1 1789515514 XWTNAVYBDGYLTI-JVWAILMASA-N 473.404 5.213 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OCC)cc2)CCC1 1790691597 KRBLEPNCNJQRQD-UHFFFAOYSA-N 459.011 5.406 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1 1791320683 BGWBOTDTHSJRDW-SGEJMCJESA-N 462.615 5.447 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)CCC2)cc1 1791584333 YTHBOHPGBBSPIK-XMMPIXPASA-N 495.664 5.398 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccco3)cc2)CCC1 1791802152 GCDLMUFRILWZFC-DENIHFKCSA-N 495.620 5.582 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4N)CCC3)cc2)c1 1792122246 HPYOPLFFUXSNQX-XMUSRXTASA-N 464.569 5.357 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nn(C)cc5c4)CCC3)cc2)c1 1792126667 KAYFOLCGXIGXRB-LJQANCHMSA-N 477.568 5.262 30 20 JKED Cc1nc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cs1 1792169657 URELVRHDHVUGAQ-UHFFFAOYSA-N 488.613 5.101 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792209531 GXYVTYKRKSYIOU-XZOQPEGZSA-N 481.637 5.008 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)C4(c5ccc(Cl)cc5)CCOCC4)CCC3)cc2)CCC1 1792232837 OQPCEFSNXOJCGV-UHFFFAOYSA-N 492.019 5.216 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Br)cc2)CCCC1 1797847635 CZHCNVIRZZWPLW-ACDBMABISA-N 495.408 5.111 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2c1 1798135049 IHUDGDWXDJJLEM-QLIIJSOBSA-N 455.396 5.066 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(Cl)cc2c1)c1ccccc1 1800934782 MVFXALAHMNUSTD-XDZVQPMWSA-N 486.015 5.337 30 20 JKED C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)c1ccccc1 1801752063 ISSPQOSBGRGHGO-YWQVJIEVSA-N 469.507 5.023 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(OC)ccc3o2)[C@H]1c1cccnc1 1802495886 GLLJQRHRDAKAOM-NLFFAJNJSA-N 475.589 5.148 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1803081261 IMNQGLHKHRXAHG-VWNXMTODSA-N 451.998 5.131 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)/C=C/c4cccc(C(F)(F)F)c4)CC3)C2)cc1 1804941641 HBSBVNGBLFEHAZ-MDZDMXLPSA-N 495.545 5.064 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)C2)CC1 1805297500 VVVJQUVEVAYSDQ-DQEYMECFSA-N 482.716 5.212 30 20 JKED N#CCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1806289323 GRBHVTSRSJDWEH-FIBWVYCGSA-N 488.676 5.755 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)ccc3F)CC2)C1)c1ccccc1 1809160907 BNLVPEXIUGATOH-LVXARBLLSA-N 475.608 5.372 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)cc12 1809809891 WOVOIURSFDUNPW-RXFWQSSRSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)c(F)cc3nc2Cl)[C@H]1c1cccnc1 1811353020 FHFYPTTXXQUMCM-WSZRMNBISA-N 498.961 5.093 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812672036 PJMVZCJLAMFPEC-PGRDOPGGSA-N 496.385 5.238 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1)C(F)(F)F 1812682555 RGFVIKAQSMKTJG-FPOVZHCZSA-N 453.549 5.203 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@H]1c1cccnc1 1812804219 JBKNZHPXPUJHFW-WNJJXGMVSA-N 488.676 5.588 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@@H]3CCN(C(=O)CC#N)[C@@H]3c3cccnc3)c(C)c2)cc1 1813979603 BNRDJIRDTHQBAK-BHBYDHKZSA-N 494.639 5.633 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1814440476 SGVROPFPGCNROV-UKILVPOCSA-N 491.680 5.306 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccccc2C(F)(F)F)n[nH]1 1816908418 BBCWZRBTRHKPNO-RXVVDRJESA-N 474.527 5.432 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccccc3C(F)(F)F)n[nH]2)cc1 1816909761 XBAFGPFRIQPONV-JOCHJYFZSA-N 495.505 5.043 30 20 JKED C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 1817405629 INVMEACAXLHABR-KRWDZBQOSA-N 467.978 5.086 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)n[nH]1 1817792604 CUQZVEVUHRFRNP-KOSHJBKYSA-N 482.588 5.471 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(C)snc3s2)n[nH]1 1817829780 FKJXCFLQFYBBID-CRAIPNDOSA-N 469.636 5.464 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occc4c3)n[nH]2)c1Cl 1818706001 BZPDKJIWNWNKMM-HXUWFJFHSA-N 473.920 5.301 30 20 JKED Cn1ccc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)c21 1818724804 RYDOWBSKDRZMSA-HSZRJFAPSA-N 489.696 5.258 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)[nH]n1 1819309384 UEZRTBJOHDIAIO-ZCYQVOJMSA-N 475.637 5.474 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)[nH]n1 1819309442 VLTOEGRMHIPLQO-CVDCTZTESA-N 488.588 5.351 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)c1cc(-c2ccccc2)n2ccccc12 1820081159 WYXYYGXGEPBIBW-RUZDIDTESA-N 477.568 5.049 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)[nH]n2)c1Cl 1820218156 NXABVOHRNHNMMT-KRWDZBQOSA-N 488.400 5.198 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)c1 1820470488 RPKDAMQHZINCEH-KSFYIVLOSA-N 495.505 5.675 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)n[nH]2)C1 1821047846 REXKHSKFIYIYJD-DEOSSOPVSA-N 456.546 5.474 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)n[nH]1 1821088117 SDFSQTOAWAYGHJ-SUMWQHHRSA-N 452.452 5.086 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1 1821180831 FGDKTOBAEDLBRV-XMMPIXPASA-N 485.588 5.273 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[nH]n1 1821923054 SUEOVXWJWOCQCY-HOYKHHGWSA-N 482.588 5.471 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)n[nH]2)c(Cl)c1 1822330943 ZOKIUSVMVLXJSJ-TXTKFYIRSA-N 473.964 5.044 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1)c1ccc(O)cc1 1822468139 LHGAHBPDXVEMDH-DBTWGZIYSA-N 488.563 5.015 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cccnc34)[nH]n2)c1 1823214588 GLOGJNVVMVIVNZ-UUOWRZLLSA-N 478.556 5.205 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)[nH]n2)cc1C#N 1823290522 GANUCWSGUYCXOO-QFIPXVFZSA-N 497.555 5.434 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(F)CCCC=C2F)n[nH]1)c1ccc(O)cc1 1823588705 DZQMBLOEHOWXOS-RAKYAITLSA-N 496.558 5.050 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1823812623 UNXNUTLWRKLEEO-SANMLTNESA-N 490.047 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1824146477 YOUANWRDHZCUHQ-ZEQRLZLVSA-N 489.701 5.068 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1824243276 POGRUQJSBKJCCU-YTMVLYRLSA-N 489.635 5.299 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1826319179 JHVWQEHHKYSLAV-SANMLTNESA-N 466.585 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1826950724 HVJCEQLZQGWPMA-HOFKKMOUSA-N 479.709 5.663 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827263370 COGGNRRVAFQADM-JOCHJYFZSA-N 486.081 5.951 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)CC1 1827939711 IRVQOLCLKCYYNG-WOJBJXKFSA-N 465.560 5.046 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991035 DCTINOAPQBQMGW-QHCPKHFHSA-N 480.996 5.064 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1828295758 WAYKNPFXMAZSCJ-VWLOTQADSA-N 492.982 5.379 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828508257 SLDZXRGMAIVDFG-QHCPKHFHSA-N 496.449 5.385 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828526563 AXWNSMVEQGSAQH-MHZLTWQESA-N 475.633 5.251 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1828826983 PWQXILWKLCKIFH-QPPBQGQZSA-N 469.025 6.088 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)nc2)CC1)c1ccccc1 1829029327 BHLPTRQJGVGPLC-JWQCQUIFSA-N 478.036 5.166 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c1 1829446477 KNNCTUCVLNLASX-NRFANRHFSA-N 456.011 5.129 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1829518311 HSYOWWHWJKYLGT-LJAQVGFWSA-N 492.623 5.096 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1Cl 1829690312 WDCOSGHITGJWES-RDPSFJRHSA-N 495.973 5.363 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830015994 ZKSJMTPHTMCNFM-PGRDOPGGSA-N 467.660 5.034 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830169753 MADBXWLGXJJOPO-VWLOTQADSA-N 475.633 5.167 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c2c1 1830627470 XIMKFUGYYNCFBF-NDEPHWFRSA-N 482.628 5.018 30 20 JKED CC(C)(Cc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830629209 YHWOOYNOIBJLCM-MHZLTWQESA-N 471.645 5.255 30 20 JKED Cc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720744 WYHIBZUSJAKEEA-OAQYLSRUSA-N 456.011 5.129 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)cc3F)CC2)c1 1830773765 PIJIWLRELUJBDS-HHHXNRCGSA-N 491.607 5.340 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1831446063 BDEHQLMMXIGKEX-QGZVFWFLSA-N 493.904 5.199 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831851825 ALBVCFZYBAONFT-BVRKHOPBSA-N 499.699 5.283 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2N2CCCCC2)CC1 1832029982 ATSWQBVLUWUZMX-SANMLTNESA-N 463.666 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3F)CC2)c1 1832628754 AACQVEUAOIMXSX-VGOFRKELSA-N 453.583 5.061 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cnccc34)CC2)c1 1832631543 FEGQLAHKHNUAQY-PIKZIKFNSA-N 480.612 5.409 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)s3)CC2)c1 1832633789 DTCMGICIYOZRED-UWJYYQICSA-N 453.583 5.061 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1837685344 NPGMIZHZDGPMPR-FIPFOOKPSA-N 466.666 5.009 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)c(Cl)c1 1845374519 DPFKIUQZFQQRLW-UHFFFAOYSA-N 482.289 5.015 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cccc(C)c1 1847263471 PZEWDNOLNPSIRN-HJOGWXRNSA-N 497.680 5.145 30 20 JKED C[C@H](Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C#N 10134676 HEUBVLIWWLHVCD-AWEZNQCLSA-N 495.395 5.627 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10170963 MALPJQZHZGSCPB-UHFFFAOYSA-O 498.584 6.288 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174154 CHZLPJCFQYVMKD-UHFFFAOYSA-O 495.493 6.154 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc3c(c2)CCCC3)cc1 10179863 QYTPVJCSBIKUMZ-UHFFFAOYSA-O 487.645 5.798 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)N(CCC#N)c1ccccc1 10317108 YMFCQVJDZSNQMJ-GOSISDBHSA-N 489.551 5.640 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1cccc(O)c1 11153170 KVEUXEPSFOWMBO-UHFFFAOYSA-O 456.385 5.110 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(CO)c2)cc1C 14872549 VENLXBDQGDCBJV-UHFFFAOYSA-O 475.512 5.033 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(F)F)cc2)c1 15993422 WXPVWHAUKLNTSF-UHFFFAOYSA-N 492.931 5.575 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)nnc1-c1ccccc1OC 21179097 PTWJUOCSVJPMJR-GJZGRUSLSA-N 493.658 5.416 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCc3sccc3C2)nc2scc(-c3cccs3)c2c1=O 21953587 JMHNILLFYJGZDK-CQSZACIVSA-N 499.708 5.500 30 20 JKED O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NCC#Cc1cccc(C(F)(F)F)c1 22283030 QMATZFFWRAAFGH-UHFFFAOYSA-N 488.535 5.322 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 22564437 HNPPOYVYIVJBHM-FPTDNZKUSA-N 492.432 5.428 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)c1C(F)(F)F 30847979 DXNURJNVZKRWHN-UHFFFAOYSA-N 470.451 5.121 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)C(C)(C)c2ccccc21 35540824 HLCKRUPMGBNHOL-XYGWBWBKSA-N 481.625 5.361 30 20 JKED C=CCn1c(SCc2csc(NC(C)=O)n2)nc2scc(-c3ccc(C)cc3)c2c1=O 39188130 FEGYDJRRVZDGLG-UHFFFAOYSA-N 468.629 5.327 30 20 JKED O/C(COc1ccccc1OCc1ccccc1)=N\c1ncn(Cc2cccc(Br)c2)n1 78658991 GMQUENPCMGJEGT-UHFFFAOYSA-N 493.361 5.335 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2cc(Br)ccc2c1 78665585 RITFDOHRTVNMGD-OAHLLOKOSA-N 455.377 6.014 30 20 JKED COc1cc(/C=C\C(=O)O[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)ccc1OCC#N 104318869 KDFTYUCPBSJGIC-ZHKVRBCESA-N 490.943 5.496 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccccc1 303239044 IGKODRYNEJYHOA-SANMLTNESA-N 490.401 5.382 30 20 JKED CCN(CC)[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccco1 481712799 OFHXNLFKTXBIGY-JOCHJYFZSA-N 450.514 5.074 30 20 JKED COc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1NC(=O)c1cccc(F)c1 482979644 CAKGTBUELBLHNL-UHFFFAOYSA-N 481.483 6.003 30 20 JKED COc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc(OC)c1C 487387670 MCOPKNWCWUZTNG-UHFFFAOYSA-N 461.465 5.202 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)n1 488256238 XKGGRQRNHQBOQQ-INIZCTEOSA-N 476.505 5.405 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 489043848 ZNDANBOCEJWFRF-UHFFFAOYSA-N 477.386 5.168 30 20 JKED C=CCN(C(=O)CCCc1c[nH]c2ccccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491029669 WJPXGAGGJLLXEQ-UHFFFAOYSA-N 479.627 5.237 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCOc3cccc(Cl)c3Cl)s2)cc1 491501943 FCFMIVMSENISFS-UHFFFAOYSA-N 465.387 5.416 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)Cc2cccc(Br)c2)cc1C 501573127 VWPWJLAFLJITCY-SFHVURJKSA-N 465.395 5.204 30 20 JKED C[C@H](c1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1-c1ccc(Cl)cc1)N(C)C 501707778 DUQAHUZOIPDSLK-QGZVFWFLSA-N 493.036 5.387 30 20 JKED CC(C)CC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 502109326 WVMOFGAZYMWPOE-UHFFFAOYSA-N 454.958 5.163 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)s2)cc1 502646172 ZSHLDHRIEPEYTL-UHFFFAOYSA-N 488.882 5.111 30 20 JKED CN(C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1ccccc1F 503323461 LTBIDUTXZGEARE-UHFFFAOYSA-N 466.744 5.374 30 20 JKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 506991720 ZMEJNYHCDITPFK-AWEZNQCLSA-N 473.360 5.549 30 20 JKED C=CCn1c(SC[C@H](O)COc2ccc(C(C)=O)cc2)nc2scc(-c3cccs3)c2c1=O 508503876 PNLULPJMAHJZHR-QGZVFWFLSA-N 498.651 5.107 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 510251909 JCXNDUXIRJXSES-UHFFFAOYSA-N 483.446 5.246 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 511762227 KVWNJVDLGVWPBT-QFIPXVFZSA-N 481.643 5.419 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc(C(F)(F)F)cn1 513207050 SGQWZSNDKATSAL-SFHVURJKSA-N 488.263 5.605 30 20 JKED C[C@H]1CN(c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cn2)C[C@@H](C)O1 514465832 IZICJYNUXJADKR-IXFSTUDKSA-N 460.965 5.256 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1ccncc1 514587155 IWXYWOLHZUSAIW-NRFANRHFSA-N 469.614 5.236 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)c1ccc(Br)cc1 515216470 WPVQEEQJZBNKMR-UHFFFAOYSA-N 468.738 5.787 30 20 JKED C=CCN(C(=O)Cc1csc(NC(=O)C(C)C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 515401384 ODUYWYSOQRAESH-UHFFFAOYSA-N 495.457 5.930 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 515487751 QSFQDQBQOPAFCO-VXKWHMMOSA-N 481.625 5.982 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 516402663 GJHKSKHDPJERJB-UHFFFAOYSA-N 469.950 5.076 30 20 JKED COc1cc(Br)c(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 517461637 ZCFKIHZPXLWYJW-CQSZACIVSA-N 495.464 5.590 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 517530674 WYIAQQMKCYBKSX-CVEARBPZSA-N 457.987 5.012 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)cc1OC 517800780 HQSQIPHFUGYYLF-SFHVURJKSA-N 486.578 5.621 30 20 JKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 517892377 WCHLZTCOLMFUPQ-LJQANCHMSA-N 455.499 5.215 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)n1 517923734 GTFYUZSSRCIRPY-IBGZPJMESA-N 474.517 5.110 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 520835252 FBAPGQALLMLRSI-INIZCTEOSA-N 474.973 6.561 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 521329699 KZSWUCTVFDBUCP-KRWDZBQOSA-N 483.590 5.202 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 521738107 GSNZWAGHNIRWIY-SFHVURJKSA-N 479.499 5.022 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccccc3OC(F)F)s2)c(C(F)(F)F)c1 524297664 QHRDCDQJGOKWMR-UHFFFAOYSA-N 489.447 5.027 30 20 JKED N#Cc1cc2c(nc1SCC(=O)N1N=C(c3cccs3)C[C@@H]1c1cccs1)CCCC2 585688517 QYPUJSMSSDHTRA-LJQANCHMSA-N 464.641 5.425 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1 588348872 CBOYUVFYRGQVDI-INIZCTEOSA-N 461.524 5.161 30 20 JKED COc1ccccc1-c1nnc(SCCC(=O)Nc2ccccc2C#N)n1-c1ccc(C)cc1 589941791 ZNPPLFRLOIRPJE-UHFFFAOYSA-N 469.570 5.244 30 20 JKED CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1 596131965 VJARKHUCDDCTHZ-KRWDZBQOSA-N 493.610 5.337 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1sc2c(c1C#N)CCCCC2 603948031 XWEJDHNAMNSFFT-UHFFFAOYSA-N 453.564 5.902 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)cn2)cc1 604221604 LQWFOWCFVYMALI-RUZDIDTESA-N 482.927 5.243 30 20 JKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 604519241 VXNRIMDXXZBXMJ-QDPGVEIFSA-N 499.636 5.529 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 608795549 FOPNVZMDZQGREC-INIZCTEOSA-N 486.553 5.127 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccccc4)cc3C(F)(F)F)CC2)nc1 608995801 IDLGHCWHTWIZPO-UHFFFAOYSA-N 481.478 5.555 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1Cl 609004914 SPVBAPNAZSRNJX-QFIPXVFZSA-N 478.379 5.435 30 20 JKED CCOC(=O)c1c(NC(=O)Cn2cc(C#N)c(=O)c3ccccc32)sc(Cl)c1-c1ccccc1 609028085 RTFAQPGTYXVTGX-UHFFFAOYSA-N 491.956 5.070 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccccc1)c1nccn1C 609078209 GTUBQENXNYBROB-VWLOTQADSA-N 451.530 5.090 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cc2F)c1 609124004 RDIPWXUNNVQPCS-FQEVSTJZSA-N 470.504 5.829 30 20 JKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 609398612 CZAXFUFAEUNYHM-FQEVSTJZSA-N 475.614 6.190 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)o2)cc1 609430120 PVLRSQRYWMXFBZ-UHFFFAOYSA-N 484.383 5.431 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCOCC1 609434339 WCZBOYZGFNRIGO-UHFFFAOYSA-N 471.557 5.538 30 20 JKED C=CCn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1-c1ccc(F)cc1 615346433 IDBLLDGLVOEBEW-UHFFFAOYSA-N 478.372 5.437 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1OC 617993998 CBFONNZKSUBYNF-QZTJIDSGSA-N 450.608 5.060 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c12 618301194 LHWKUMSMMFYQIP-STQMWFEESA-N 475.364 5.540 30 20 JKED C=CCn1c(SCC(=O)N(C)c2ccc(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1Cl 620249520 KVSAPDHLWJPMQW-UHFFFAOYSA-N 493.416 5.210 30 20 JKED O=C(CCc1cccc(F)c1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517850 PXUDXXBDHKBUII-KRWDZBQOSA-N 467.356 5.535 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1 642709385 UTJWUWDZBUYYGX-CQSZACIVSA-N 456.395 5.025 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCC(Cc2ccccc2)CC1 645079468 OESBUHDXXTZUDI-UHFFFAOYSA-N 497.064 5.270 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(-c2ccc(CC)cc2)n1 684255697 VJVPSQGILKFXAY-UHFFFAOYSA-N 453.681 5.471 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 726394536 VJDMLBRUJGUFID-UUOWRZLLSA-N 486.597 5.097 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2(c3ccccc3)CC2)c1 726516010 CGNGOGCPDOHMFM-UHFFFAOYSA-N 497.016 5.149 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1Cl 726570748 KDGFABYUNRREPA-UHFFFAOYSA-O 477.780 5.835 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c4c(c3)OCO4)SC2=S)cc1Cl 726627459 QMGIRGQYLZPKQX-PJQLUOCWSA-N 479.764 5.109 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)cc1Cl 726891824 QQTHZCLIPHJVFV-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CCOc1ccc(OCC)c(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 726904026 VPWNHQHZQJXAMZ-UHFFFAOYSA-N 461.587 5.938 30 20 JKED N#CCOc1ccc(CN[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1 727837959 GQUVCWOPHSPGQR-JOCHJYFZSA-N 473.882 5.731 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccccc1Cc1ccccc1 728109926 GCZGYMFPJUWPLC-HXUWFJFHSA-N 480.520 5.505 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 728150148 OZVCXNXVCACQMR-QFIPXVFZSA-N 494.473 5.375 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 728391672 AZXIACHPMFOFJX-HXUWFJFHSA-N 482.556 5.045 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 728438589 ICZSKXGTBLXKQB-UTCJRWHESA-N 495.459 5.180 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCCCC#N)C1=O 728778163 CILNKXCMPBSZJB-XMMPIXPASA-N 486.597 5.503 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(F)cc1 728779415 ZLFBOPRVISCUKM-IBGZPJMESA-N 476.936 5.272 30 20 JKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1 728982155 UDIPOTSKHYENFL-SRIJWZPRSA-N 483.568 5.038 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 729145094 HWQWDOSSZQSRID-IBGZPJMESA-N 496.017 5.137 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c1 729146772 XYYFVVIIZICLRP-IBGZPJMESA-N 468.579 5.060 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2ccc(-c3ccc(Br)cc3)s2)c1OC 729433737 MGWDMVXVXHJGBT-INIZCTEOSA-N 457.349 5.189 30 20 JKED CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729552819 MBNGOMQJAPDESR-VXKWHMMOSA-N 483.490 5.264 30 20 JKED CN(C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1)C(=O)OC(C)(C)C 729572037 RJRUVWANAWOKLA-LJQANCHMSA-N 450.539 5.071 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)cc1 729634899 WGJCSDGVPIZPON-HSZRJFAPSA-N 492.576 5.088 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1cc(Cl)cc(Cl)c1 729669295 VVXGRKVAEUVWOL-UHFFFAOYSA-O 478.377 5.274 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cocn3)C2=O)c1 730709750 BZWJWKPFPSLNAQ-NRFANRHFSA-N 462.575 5.069 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1 730716392 WPBHZIJPMYKXKF-DEOSSOPVSA-N 484.581 5.605 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730726631 IWIBSJZLDXGYMV-RUZDIDTESA-N 496.592 5.477 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2cocn2)C1=O 730730500 WGMFXOLDIUNPPE-IMRFYMDBSA-N 489.022 5.288 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 730943900 MYPKHLNNIVOUQL-KKSFZXQISA-N 464.978 5.457 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1Cl 731106591 XYKDCKQKRVJWSK-AOYPEHQESA-N 477.967 6.112 30 20 JKED N#C[C@@H](NC(=O)c1cc(Cl)ccc1I)c1cccc(Cl)c1Cl 731195276 DJLUYCQIKYKPME-CYBMUJFWSA-N 465.505 5.246 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c1 731306005 ILTCRGMWABXQHG-NRFANRHFSA-N 465.600 5.231 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 731332366 JTRVREZMWCQGPD-SJORKVTESA-N 492.066 5.407 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Br)c(F)c1 743449721 SZGCHYJEIPYOJA-MRXNPFEDSA-N 453.267 5.342 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 746697700 KATRDINTPBXELX-IBGZPJMESA-N 459.999 5.115 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1cc2ccccc2[nH]1 746697755 LDMDFQZNCQILAQ-VWLOTQADSA-N 498.608 5.015 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1 747016896 GWEBGQYKDXAEFG-ZEQRLZLVSA-N 475.495 5.076 30 20 JKED COc1ccc(/C=C(\Br)c2ncc(-c3ccc(F)cc3)o2)cc1OCCCC#N 747361180 FGGPVCTZWAJTOE-PDGQHHTCSA-N 457.299 6.065 30 20 JKED CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1OC 748583459 FAVXJPOEQREHEU-RUDMXATFSA-N 460.324 5.099 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 749339004 WJKYWAXIFGNLBR-SFHVURJKSA-N 487.553 5.873 30 20 JKED COc1ccc(-c2nc(SCc3csc(-c4cccc(OC)c4)n3)nc(O)c2C#N)cc1 824954431 QHTXJPRDNVXPQM-UHFFFAOYSA-N 462.556 5.154 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 837445761 ZAKXQHKCHHXYAN-OFVILXPXSA-N 486.641 6.037 30 20 JKED N#Cc1ccc(N2C[C@@H](c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)CC2=O)cc1Cl 904479227 IQTQQSZPUPQSIN-FQEVSTJZSA-N 494.942 5.180 30 20 JKED C=CCn1c(SCc2nc(-c3cc(C)ccn3)no2)nnc1-c1ccc(Cl)cc1Cl 904938557 AJCUUFJYIQZLRR-UHFFFAOYSA-N 459.362 5.484 30 20 JKED N#C[C@@H](C(=O)COCc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102800 HRUJQZCNGPAOEP-AWEZNQCLSA-N 474.394 6.120 30 20 JKED Cc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc(C)c1OCc1ccccn1 915943973 BBFVOPDWEXXVCD-UHFFFAOYSA-N 480.593 5.906 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C=Nn1c(S)nnc1-c1cccc(Cl)c1 916343991 BODDSGVWEVTXMW-UHFFFAOYSA-N 457.390 5.284 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)n1 916847299 OIPVBJYDQVDSDT-QGZVFWFLSA-N 492.651 5.823 30 20 JKED N#C[C@H](C(=O)CCSc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916906298 SAXGSXGHJKOCPS-HXUWFJFHSA-N 450.947 5.962 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 916917922 LKKDWWDRAGKLMG-HXUWFJFHSA-N 461.543 5.847 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)[C@H](C#N)c4nc5ccccc5n4C(F)F)nc(O)c23)C1 917041050 OKFGQCIJYUZKHB-JSGCOSHPSA-N 481.528 5.076 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H]2c2ccccc2)ccc1Cl 917139749 FFPYYVDJVVFDTH-QHCPKHFHSA-N 466.990 5.309 30 20 JKED Cc1nc(C#N)c(NN=Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(Br)cc2)o1 917554391 MEEQDWYOWZFALG-UHFFFAOYSA-N 477.322 5.350 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccccc1Cl 917704057 RJPNBIHSIIVMFR-JOCHJYFZSA-N 474.973 5.372 30 20 JKED CSCc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)oc2ccccc12 918161578 IYINFLXBUPKVDW-XTCLZLMSSA-N 485.631 5.141 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1C 919205514 HBNLJJBXRQYJEM-UHFFFAOYSA-N 489.620 5.339 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OCC 920106220 VJNWVWXIFOYAAJ-KRWDZBQOSA-N 483.362 5.171 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 920139289 QOTNMHZYWDIBHP-INIZCTEOSA-N 490.463 5.424 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(Cc4ccc(F)cc4)c3Cl)n2)cc1 920141965 JGPSUFWHAVIEIN-LJQANCHMSA-N 480.952 5.655 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccc(C)s1 920168289 KBHUGNWDQSOGFB-OPAMFIHVSA-N 497.617 5.926 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)c1=S 920305727 OFGKXYDNDXQBDZ-MRXNPFEDSA-N 459.541 5.864 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)COc2ccc3oc4ccccc4c3c2)n(Cc2ccco2)c1C 921254179 ZNVIXNQZOKDUDN-UHFFFAOYSA-N 497.507 5.078 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 926220730 ORSUBLNAGOBKMB-KRWDZBQOSA-N 467.978 5.193 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C4=CCCS4)cc3)CCC2)cc1C#N 1786415015 LTEWWQPBLKVXMZ-UHFFFAOYSA-N 461.587 5.114 30 20 JKED O=C(COc1cccc2ccccc12)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1786675036 IXKNKYFNQJXHAR-UXHLAJHPSA-N 481.552 5.065 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cn3ccc4sccc4c3=O)cc2)CCC1 1786834221 MAGYWXUWGZKCFC-UHFFFAOYSA-N 477.630 5.190 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)cc1 1787350618 XYTAJXBAVCZHKQ-UHFFFAOYSA-N 492.501 5.353 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C(F)(F)F)cc2)CCC1 1787398504 WHTWPYCRQZGQDM-HNNXBMFYSA-N 465.472 5.155 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3Cl)cc2)CCC1)C(F)(F)F 1788480480 XOJAPEWADPUMBY-UHFFFAOYSA-N 462.859 5.034 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(-c4ccccc4)n4ccccc34)[C@H]2C1 1789137978 PWCHOVIWOMVKIA-AGJHTDJMSA-N 499.655 5.192 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Br)cccc4n3)cc2)CCC1 1789367364 HQJJZBOPFNXTKN-AWEZNQCLSA-N 484.419 5.063 30 20 JKED CC(C)c1ccc(CC(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc1 1789578170 AYKJJCAEUFNSPW-RDRPBHBLSA-N 457.574 5.199 30 20 JKED C[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1)c1ccccn1 1790084206 ZUGNACLLEPTLGM-KRWDZBQOSA-N 458.949 5.158 30 20 JKED CCOc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1790240883 UNSHBQUSHVSJMO-UHFFFAOYSA-N 457.505 5.158 30 20 JKED CC1(C)CCC(CC(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)CC1 1790570278 CRDKICALGPOLAK-UHFFFAOYSA-N 452.643 5.009 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCC5CC5)cc4F)cc3)CCC2)CCC1 1790587030 KKJYGCLXAFZPNU-UHFFFAOYSA-N 461.537 5.056 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3O)cc2)CCC1 1790614109 BBYOKWJQAFKHMT-UHFFFAOYSA-N 479.321 5.114 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)c(F)cc5[nH]4)CCC3)cc2)cc1 1790707918 XLIFQWGRADFKHJ-UHFFFAOYSA-N 484.506 5.574 30 20 JKED Cc1cc(C)n2ccc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)ccc5F)cc4)CCC3)c2n1 1790767021 QXBGULXCMSBENM-UHFFFAOYSA-N 481.531 5.023 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4onc5ccccc45)cc3)CCC2)c1 1790909364 UPWWBOQSWINYPO-SFHVURJKSA-N 464.525 5.516 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)Nc1ccc(C2(NC(=O)CC#N)CCC2)cc1)c1ccccc1 1791129855 GTCREDOBSAJRSQ-MHZLTWQESA-N 474.649 5.389 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccccc4O)CCC3)cc2)cc1C#N 1792168668 DIGCKSDKTFJPDL-UHFFFAOYSA-N 483.568 5.041 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1 1792170602 JOKDOJNUAVVNCU-HNNXBMFYSA-N 464.459 5.183 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(C#N)c3)ccc21 1799602924 AHWKTXQGEOABIW-BKFWDETESA-N 476.580 5.252 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c4ccccc4n4ccsc24)C3)c(Cl)c1 1800690826 ZXJOINWRXVTXQF-BCDXTJNWSA-N 489.000 5.245 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)c1 1801081911 JLOQCMPSAOUTDP-ABQRKTDGSA-N 492.579 5.621 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)[C@H]2c2cccnc2)C1 1802414877 ARSMEJLXWRALQW-IGKIAQTJSA-N 483.612 5.064 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)c(Cl)c1 1803900457 ACWZWJZQIJSVQI-YVSFHVDLSA-N 455.813 5.667 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2c[nH]c3ccc(C)cc23)[C@H]1c1cccnc1 1804374489 HQZDJBODRYUNPX-AJTFRIOCSA-N 472.633 5.112 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(-c5ccccc5)c(F)c4)CC3)C2)cc1 1804944326 WCIMTKUOKDYCEO-UHFFFAOYSA-N 495.598 5.452 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1 1805112785 MFOFYZMKCLBVIS-UHFFFAOYSA-N 487.497 5.183 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)C1 1805459638 QIZLDOLVASSPKQ-CMDGGOBGSA-N 460.540 5.117 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1808162190 WTPHPJHCJIXLAC-LVXARBLLSA-N 497.986 5.030 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CC1 1808889115 LISFUJMMUTUZPP-NAKRPHOHSA-N 495.784 5.745 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1)c1ccccc1 1809161067 CPBGWEXHBRTMPA-BKMJKUGQSA-N 457.618 5.233 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c4cccc(Cl)c34)[C@H]2c2cccnc2)c1 1810073147 DGHHWQKQZBNYGM-RXFWQSSRSA-N 497.986 5.030 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](CCC)n2cccc2)[C@H]1c1cccnc1)c1ccccc1 1810443192 DSZUKLZUOLIUMM-DZUOILHNSA-N 496.655 5.128 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810498744 PTMOELSUWPFDOJ-IWQRJCBASA-N 477.674 5.694 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811538095 HZCRINVLCZYQMN-OZXSUGGESA-N 489.566 5.588 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)[C@H]1c1cccnc1 1812589725 CDEWRUGQRLUNCD-XPIZARPCSA-N 495.929 5.165 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1812591443 XPQFKCZHANCJGB-ULNCZQIZSA-N 467.613 5.589 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@H]1c1cccnc1 1812667404 DDPIBEVTMQLHIW-DLTYFMDKSA-N 469.576 5.129 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813869302 BQIDYGAYZAQVCU-JGZRHYTASA-N 480.612 5.140 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1814743824 SXGMNEKOPUBTND-OAQYLSRUSA-N 489.988 5.030 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1815572736 QKIXIVZNUQBJBE-INIZCTEOSA-N 494.411 5.606 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213218 CZPCICKYPSLHTF-GOSISDBHSA-N 483.560 5.036 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818744659 VKAKJWQJBFNYAZ-HTAPYJJXSA-N 465.985 5.619 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)cc12 1819055782 KKCWZNIWYLMANK-VQIMIIECSA-N 483.597 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)[nH]n1 1819555069 XWIGPQNVWVBLRE-QFIPXVFZSA-N 463.582 5.198 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ncccc23)n[nH]1 1820121229 OQKBNHMLHGCSPX-VWLOTQADSA-N 492.583 5.129 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820150453 LUOHDVQPNOMELU-JOCHJYFZSA-N 453.546 5.211 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)[nH]n2)c1Cl 1820218956 IDHSWPIMSJTYBR-IBGZPJMESA-N 473.920 5.301 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1820822858 CIYLOFQRGYPBQM-AUSIDOKSSA-N 490.007 5.070 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)cc(C#N)c2)n[nH]1 1821325903 UNZGRINMXGLMMU-QFIPXVFZSA-N 491.979 5.262 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1821925017 LBMSHMKSMHLZPM-SJCJKPOMSA-N 453.345 5.374 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4cccc(Cl)c4)CCCC3)n[nH]2)c1 1822314616 SAVOUXQOTVPYTG-JOCHJYFZSA-N 490.995 5.081 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1823215642 YUFRVDJWHKDSLU-LUSXFWADSA-N 493.567 5.802 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1823656144 PNHYTCFLBGAVIS-RUZDIDTESA-N 472.633 5.106 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1824047023 PFSVZBMXEXQRHE-KBMIEXCESA-N 494.035 5.257 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2Br)CC1 1824140955 BZJPIOOMKJVORI-FQEVSTJZSA-N 463.416 5.044 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@H]3OCCc4ccccc43)CC2)c1 1824424600 FDHGDVPOYYBMJS-RNOQYBQRSA-N 499.655 5.251 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1824508183 BAMMFRXVCYGNSB-UZUQRXQVSA-N 491.554 5.011 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1824540138 GHKLEBXHLOPDRX-NZQKXSOJSA-N 483.703 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824807004 OKOKOZIVXJVIOA-RPBOFIJWSA-N 482.665 5.025 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1824957282 ACNQQAKIGLJEQL-XMMPIXPASA-N 481.637 5.040 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1825188885 MONNBJPJXVSQKK-YADHBBJMSA-N 477.571 5.031 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3coc(C(C)C)n3)CC2)cc1C#N 1825418916 WDFCHOWZJRMTKQ-DEOSSOPVSA-N 492.620 5.004 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826783087 ZBBOMBDEFVLWGX-MALQFLDISA-N 463.666 5.196 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166057 HBCXKHVZJWZXJG-CTNGQTDRSA-N 489.081 5.361 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)ccc2n1 1828235717 QVDRZQARBFDVGW-MUUNZHRXSA-N 480.612 5.156 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828351918 YFBBUSAVZJHANY-BOMYWPOKSA-N 460.618 5.834 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1828498705 QVMBUFSHZGOTGA-JYFHCDHNSA-N 499.659 5.331 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cc(Br)ccc4c3)CC2)C1 1828507793 BXCYTLBHDCDAPG-VWLOTQADSA-N 495.461 5.802 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1828826745 BGJJFPGGDQHULE-UIOOFZCWSA-N 494.676 5.486 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2ccc3ccc([N+](=O)[O-])cc32)CC1 1829068212 KSADAYLBRVGYNF-DEOSSOPVSA-N 494.636 5.162 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573606 GCWROAORXPWKCO-QHCPKHFHSA-N 457.574 5.075 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)cc12 1829690166 ODDXFBMPUONEIG-RUZDIDTESA-N 489.019 5.549 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1830413814 GRUNTHZDVREBEY-FXAWDEMLSA-N 490.069 5.589 30 20 JKED Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1830501630 CCMNBHIWXFNMBC-XMMPIXPASA-N 494.433 5.176 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1)C(F)(F)F 1830654291 QCQCJUGVPROMAM-QGZVFWFLSA-N 481.317 5.484 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)C(F)(F)F 1831450461 BFMATAUSQUXTTI-NRFANRHFSA-N 494.945 5.082 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1831855899 RBTUROAGQMDAHU-MHZLTWQESA-N 467.613 5.711 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832629432 QFBRWFJEAAALSU-RXYILKCJSA-N 487.644 5.359 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1832634146 OHNYRMLDSPUDLO-CUNXSJBXSA-N 487.644 5.486 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c4ccccc4n4ccsc34)CC2)CCC1 1832785961 ODCFDYZYQPOMQH-NRFANRHFSA-N 474.630 5.081 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Cl)cc(Br)c3[nH]1)C2 1841319861 PWKORSMLIQXHQO-UHFFFAOYSA-N 490.829 5.169 30 20 JKED C#CCCCCC(=O)N1CCCC12CN(C(=O)c1c(Br)cccc1-c1ccccc1)C2 1846489220 YIACDVPXVUWKIT-UHFFFAOYSA-N 479.418 5.127 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2sc4ccccc4c2Cl)C3)c1 1846830053 RHPXKNQPJJVBKO-MRXNPFEDSA-N 463.990 5.313 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccccc2Cl)cc1 8752789 JNNCNETYAXINIK-UPCLLVRISA-N 484.025 5.131 30 20 JKED C=C(C)CN(CC)C(=O)CSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 8953097 VOEQIOZBOBDVBX-UNOMPAQXSA-N 490.050 5.312 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)nnc1-c1ccccc1 9448378 DUBXOPUIUQIYDN-QHCPKHFHSA-N 483.597 5.503 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)NC1(C#N)CCCCC1 10317147 KBSWYZCCOHWKGV-INIZCTEOSA-N 467.545 5.036 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113328 ASVNSKJXBCCKMP-UHFFFAOYSA-O 479.544 6.180 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2cccc(Cl)c2C)cc1 11257542 WTCFJNYRMSIHID-UHFFFAOYSA-O 467.998 5.320 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCCSc2ccccc2)c1 15386059 SCWJYBYWPQOQIE-UHFFFAOYSA-N 461.612 5.201 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)=O)ccc1Cl 20836119 BNRDGFHPMKBHFL-UHFFFAOYSA-N 468.962 5.176 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22729536 OLUFPFYYGNKDKZ-UHFFFAOYSA-O 495.668 6.631 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22801727 KUPWJSSTQNJULM-UHFFFAOYSA-O 461.651 5.360 30 20 JKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 23352033 YTUGXAUYUBHTBX-HNNXBMFYSA-N 476.433 5.541 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CC2)nnc1-c1ccc(Cl)cc1Cl 24026852 VXBBGTKAHRMHBP-OAQYLSRUSA-N 473.429 5.798 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 24284261 MJLGPWCJVWMWHS-MRVPVSSYSA-N 468.715 6.360 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 32785579 UIPBEFSGWRTZQU-HXUWFJFHSA-N 486.641 5.356 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(COc2ccccc2C#N)o1 108107591 HFVCNVBJYKRPEI-UHFFFAOYSA-N 491.853 5.113 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ncc(-c2ccccc2F)o1 109909867 QXLLIEOCCMAIGA-UHFFFAOYSA-N 461.306 5.530 30 20 JKED Cc1ccc(/C=C\c2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)n[nH]2)o1 210027357 AFOWJUSIQCEMAQ-KHPPLWFESA-N 450.568 5.012 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 250684008 CMILMWBLVNLJSZ-ADHONKBBSA-N 457.669 5.150 30 20 JKED CN(C)c1ccc(/C=C2/N=C(SCCCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 255926524 MJGAXSJALOVHAJ-HMMYKYKNSA-N 456.518 5.135 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc(Br)cc1 302964300 HBUDDQACGFEZST-AWEZNQCLSA-N 488.407 5.274 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3csc(I)c3)cc2F)c1 409779122 HFNYWOPTNKDCHD-UHFFFAOYSA-N 478.286 5.195 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 479812136 GHXZDZUFRSFTDO-IAGOWNOFSA-N 490.098 5.300 30 20 JKED C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 487389862 UPLLVCLFQZZUIW-ORAYPTAESA-N 484.503 5.471 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1C#N 492210119 WWBVFVQURKABDC-UHFFFAOYSA-N 452.923 5.304 30 20 JKED N#Cc1cn(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c2ccc(Cl)cc2c1=O 502819625 JUDJMNCYGDDBKU-LJQANCHMSA-N 478.986 5.027 30 20 JKED Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 509694236 BHVUIYSUNXARMC-QFIPXVFZSA-N 499.514 5.034 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccccc3)Cc3ccco3)s2)cc1 510086724 QFLOFGGWWIOFGY-UHFFFAOYSA-N 461.572 5.529 30 20 JKED CCc1nc(CN2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cs1 510642629 CAZQJNMXTBXXOO-JOCHJYFZSA-N 480.037 5.364 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(F)cc3C(F)(F)F)c2)c1 511475286 KVGILDFZMQQCTC-UHFFFAOYSA-N 456.399 5.290 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 514028967 MAIPRRNUQPKXKO-UHFFFAOYSA-N 470.323 5.181 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 514534440 XLQBNSUCWPHESO-UHFFFAOYSA-N 473.642 5.008 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1cccc(Cl)c1 514960397 PXUMRDXYUIPGAR-INIZCTEOSA-N 469.998 5.054 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N(C)Cc1ccccc1C 515353868 PAKNMBUQJWOVDQ-SFHVURJKSA-N 471.026 5.144 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nnc1-c1cccc(C)c1 515599387 DSYXRFDAHSRNTQ-UHFFFAOYSA-N 496.061 6.526 30 20 JKED CC(C)OCc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)oc2ccccc12 516528446 CQXTUQPLOZKTCY-UHFFFAOYSA-N 453.498 5.734 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)CC)cc2)c1 519119721 KYBXKIRDUULUGT-UHFFFAOYSA-N 498.004 5.322 30 20 JKED Cc1ccc(-c2noc(CCC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)n2)cc1F 521500371 KAOQRQUGKQWIFN-XMMPIXPASA-N 470.504 5.077 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 563757342 FJZZKHKBFYCVBB-UHFFFAOYSA-N 477.524 5.128 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 603596224 XLAKTZJXDQYBMS-IAGOWNOFSA-N 486.481 6.490 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603758905 OGYBPPCNPQIVDU-HSZRJFAPSA-N 488.012 7.145 30 20 JKED CC(C)Cn1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc2c1=O 603759176 WMMGKKNBYFTUKL-HSZRJFAPSA-N 470.960 5.614 30 20 JKED N#C[C@@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838672 FTZRYGMHJFEYQR-AWEZNQCLSA-N 458.282 6.261 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc1 603918270 NZDVPDZAATXGOT-UHFFFAOYSA-N 453.926 5.012 30 20 JKED CC(C)Cn1nc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c2ccccc2c1=O 603991748 OOIOKWYAUTVHRU-UHFFFAOYSA-N 454.555 5.004 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(F)cc1 604088116 CCZMONCMHMJSFI-HSZRJFAPSA-N 475.911 5.788 30 20 JKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604160825 XOULGXGBRULJGA-DEOSSOPVSA-N 459.977 5.681 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)cc1 604562117 OXUDSFSQWJRJBK-UHFFFAOYSA-N 452.514 5.739 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)c3ccccc3)c2)c1 608940128 WXZHKPNVPVCCJJ-FDJWOJMMSA-N 492.579 5.223 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 609370870 DWIFVZSQYHNHRS-QGZVFWFLSA-N 490.614 5.106 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c1C 609382676 MYKYRLUYZYJDFB-QGZVFWFLSA-N 479.627 5.608 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)cc2)c1 609434577 ZYHBOYJNCMTDED-UHFFFAOYSA-N 494.473 5.359 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 613403932 LMKRTNBDAZJEHK-CYBMUJFWSA-N 468.884 6.256 30 20 JKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 618547160 HRWUIRSTCFEBGN-DJLDLDEBSA-N 455.201 5.966 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3c(F)cccc3F)n2)n(C2CCCCC2)c1C 726219573 PDODFADHTCLKRU-UHFFFAOYSA-N 498.555 5.679 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccsc2)c1 726404879 HBSZNVUSMWRTHW-QHCPKHFHSA-N 487.606 5.093 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1NC(C)=O 726428224 HTEZERBYSOLMBC-WDZFZDKYSA-N 465.933 5.791 30 20 JKED N#CCOc1ccccc1C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 726764660 VXQKIXREQWXJGF-UHFFFAOYSA-N 459.889 5.729 30 20 JKED N#CCCCOc1cccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c1 726801659 JPFUUZNGTHMYMQ-CPNJWEJPSA-N 462.518 5.789 30 20 JKED CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 726989560 IPXDXECVPSKDPK-UHFFFAOYSA-N 493.527 5.021 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc4cccnc34)C2=O)cc1 728422585 DAEYRCHJSIALPX-XMMPIXPASA-N 491.576 5.267 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C(\C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc1 728696319 QOQHCMMBZWGIHB-VVRYKASASA-N 456.933 5.364 30 20 JKED N#Cc1ccc(-c2ccn(CC(=O)Nc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)n2)cc1 728710979 UBCAJITXMGFJOE-UHFFFAOYSA-N 489.457 5.332 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c(C)c1 728776953 HJZFERCDUBHCFZ-QHCPKHFHSA-N 462.619 5.574 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccc(F)cc1 728776961 HLLVKFPZCDFBQE-LJQANCHMSA-N 493.391 5.787 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)c1 729109735 WPNOJRCPGXXRFY-DEOSSOPVSA-N 467.481 5.258 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3scnc3C)C2=O)cc1 729144767 FMMGOFHGZLVIHL-LJQANCHMSA-N 468.579 5.060 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)cc1 729176737 MOVSEVRTKHIOBV-DHIUTWEWSA-N 461.974 5.149 30 20 JKED COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 729375695 RDVOAHIYEVAQDB-UHFFFAOYSA-N 473.529 5.605 30 20 JKED CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 729557171 FNKVAVQFYMAELI-NRFANRHFSA-N 468.985 5.516 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 729632294 ZVVPJRKZNNIGSQ-SANMLTNESA-N 494.620 5.381 30 20 JKED O=C(C[C@@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730461550 FOVNLKGMPKQPSB-WCLIKLPVSA-N 479.499 5.226 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 730664255 DSSDQLBFXLBGLC-QHCPKHFHSA-N 451.929 5.815 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1 730712300 FMXSQPZOEVGUAV-DEOSSOPVSA-N 484.581 5.605 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cocn3)C2=O)cc1 730727843 WSWNEJFNAIYIHH-JOCHJYFZSA-N 496.564 5.071 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CCc1nc2cc(Cl)ccc2s1 731077066 FIYQFICNSZVQHB-CQSZACIVSA-N 474.007 5.316 30 20 JKED C#CCOc1ccc(NC(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)cc1 731111857 MCNZWOUQTQGSRB-XMMPIXPASA-N 469.541 5.151 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)c(Br)c1 731132261 XFHFNYKEOSFNRI-FOIQADDNSA-N 480.337 5.060 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cscn2)c1 731312629 NOFFCHZRXAZIHO-NRFANRHFSA-N 480.615 5.133 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 731332202 GGWZCBGQJVEVJM-MRXNPFEDSA-N 478.039 5.161 30 20 JKED CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)[C@H](C#N)c1nc(C)cs1 742540273 FQBWSKVTADKQBL-HNNXBMFYSA-N 461.410 5.066 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CNC2(c3ccc(Br)cc3)CCOCC2)c1=S 742540278 FWHVLNDLSKBKQI-UHFFFAOYSA-N 499.478 5.206 30 20 JKED CC(C)[C@H](OC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 743053956 XVLZSVSGACKJAM-INIZCTEOSA-N 451.338 5.683 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)c1 743524054 FVATYNZMCKJBTF-FQEVSTJZSA-N 455.486 5.027 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@H]2CCCO2)c1 743525211 OTAMZURZZDVWGC-IERDGZPVSA-N 490.000 5.235 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccc(F)cc2F)C1=O)NC1CC1 745580798 DBQOMPUZGZIWLF-GOSISDBHSA-N 497.539 5.080 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cscn3)C2=O)c1 747602347 ZSGFDROXVBGOGS-HXUWFJFHSA-N 485.034 5.574 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3c(Cl)ccc(Cl)c3C2=O)cs1 748583162 CUSYTJSOYPLJRK-XYOKQWHBSA-N 463.317 5.932 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc(F)cc1 838518563 BMWQMYDWQPBOIH-QFIPXVFZSA-N 499.514 5.273 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)c3)C2=O)c1 912771763 HFWKQELQYRFQER-DEOSSOPVSA-N 489.597 5.173 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C2CCCC2)C2CC2)c1 914573709 QGXMAEQCEVECQW-UHFFFAOYSA-N 489.037 5.277 30 20 JKED C=CCN(C(=O)c1cc2ccccc2c(Cl)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 915139101 KWYOSTHGNFVBGL-UHFFFAOYSA-N 484.002 5.248 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)N1CCCC1 915352848 OAYQZKSHBQQYMC-FTJBHMTQSA-N 454.574 5.309 30 20 JKED C=CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166907 XZFIVILYDQYXLS-IBGZPJMESA-N 483.412 5.889 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 916215245 FRIDEFNGSLIQGJ-LJQANCHMSA-N 494.444 5.689 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(C[C@H]3CCCO3)C2=O)cc1 916217287 JUAZZIRJWMTCNN-ZJSXRUAMSA-N 473.598 5.288 30 20 JKED COc1cc(Br)c(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 916283940 CFFJBVPOCHOKDM-UHFFFAOYSA-N 484.375 5.095 30 20 JKED COc1cc(C=Nn2cnc3ccccc3c2=O)ccc1OCc1ccc(Cl)cc1Cl 916369558 GQCATYUETDUGJX-UHFFFAOYSA-N 454.313 5.173 30 20 JKED COc1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)ccc1OCc1c(C)noc1C 916541296 NYNGFCIBNBRUKR-UHFFFAOYSA-N 467.525 5.585 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2F)C[C@@H](C)O1 916680445 GSJXRSCGNJEJPV-OHUGHZGNSA-N 472.564 5.416 30 20 JKED CC(C)(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 916905069 LSCCINCMSOCFNA-LJQANCHMSA-N 457.486 5.646 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 916909783 UWIHHMIZUWIIEL-HXUWFJFHSA-N 469.570 5.082 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916927446 JVYVTYOGJRNESY-AWEZNQCLSA-N 473.337 5.454 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2cc(C)c(Br)cc2C)cc1Cl 916939130 OXNZGFVTRWOQOM-AWEZNQCLSA-N 481.799 5.168 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccc([C@@H](C)CC)cc3)cs2)cc1 916948606 ICOUVRQFKWXVJW-SBUREZEXSA-N 461.587 5.612 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(-c3ccccc3C)n2CC)cc1 916955242 NRRFLPRGDVRUTL-VGSWGCGISA-N 475.618 5.227 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc(-c2ccc(Cl)cc2)cs1 916977817 ZQPSBYMGRVHHDO-KRWDZBQOSA-N 470.406 6.659 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)o2)cc1 916995113 AYQGURKZCBWMCI-GOSISDBHSA-N 482.392 6.889 30 20 JKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042283 DVFGWFRETWVMOG-IBGZPJMESA-N 466.484 6.298 30 20 JKED N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 917043754 OIZSPBPWEVJPCK-ZDUSSCGKSA-N 460.424 6.302 30 20 JKED COc1cccc(/C=C2/CC3(C/C(=C/c4cccc(OC)c4)C2=O)C(=O)Nc2ccccc23)c1 917518256 XJNFDCPFDJEZQK-JZTLMNBPSA-N 451.522 5.424 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C)cc2C)ccc1Cl 917814274 ZNAARWQAHOFELG-UHFFFAOYSA-N 469.006 5.615 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)Cc2ccsc2)c1 918391370 FOEAFCRJEVTBFJ-QGZVFWFLSA-N 475.035 5.144 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1=S 918731037 FUYRLCPCXRFTHZ-UHFFFAOYSA-N 471.001 5.612 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(CC(F)(F)F)C2=O)c1 920176871 VZDLCPQRPNFDOZ-FQEVSTJZSA-N 475.536 5.315 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3c(C)noc3C)C2=O)cc1 920356584 QLOBUGFFLLNHIS-QFIPXVFZSA-N 480.565 5.208 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cc3ccccc3s2)C1=O 920478895 NMBIWLLZAKVONV-JOCHJYFZSA-N 459.596 5.322 30 20 JKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cc1C 920782990 IRGSNIUJTHCYIP-HELSZXIZSA-N 482.650 5.265 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 920867197 CGXAFDHMXJSTSS-KKSFZXQISA-N 474.026 5.200 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)Cc4cccc5ncccc45)cc3)CCC2)ccc1F 1786345888 YNUBQBOBSIOGGJ-UHFFFAOYSA-N 492.554 5.165 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CCc3cc(F)ccn3)cc2)CCC1)c1ccc(O)cc1 1786824231 RVOHKVQTNYTUFT-JOCHJYFZSA-N 499.586 5.190 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CC5)cc4)CCC3)c2c1 1787878433 PDFGDSSGUHCNML-UHFFFAOYSA-N 485.584 5.691 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4Cl)cc3)CCC2)c1 1788479159 MGZBHVAZSQWFCL-UHFFFAOYSA-N 497.986 5.420 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C4C[C@@H]5CC[C@H](C4)N5C(=O)OC(C)(C)C)cc3)CCC2)C1 1789129223 WTFZYXXBBBGTLG-UEMOLPEBSA-N 493.648 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1789625601 KWBWQERVHROZKD-LYZGTLIUSA-N 495.664 5.370 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c3CCc3ncccc3-4)cc2)CCC1 1790019576 PKLVRVXYASGCNS-NRFANRHFSA-N 481.600 5.086 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)cc2)CCC1 1790355657 ZTKOKIFNHCYRGR-UHFFFAOYSA-N 464.553 5.090 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4scnc4C4CC4)CCC3)cc2)ccc1F 1790519144 JVTNNZIANWWCPU-UHFFFAOYSA-N 474.561 5.022 30 20 JKED COc1ccc2[nH]cc(/C=C/C(=O)Nc3ccc(C4(NC(=O)[C@H](S)C(C)C)CCC4)cc3)c2c1 1790562367 FJPPAMZXCWGJAR-MYGGQEDLSA-N 477.630 5.278 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(F)c3)CCC2)cc1 1790564691 LTNGCZQEGVHWMR-IBGZPJMESA-N 488.563 5.436 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)cc2c1 1790707720 PNJUZRCCNOMBJJ-UHFFFAOYSA-N 479.536 5.569 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Br)cc3F)CCC2)cc1 1791583698 AVZOAQHCDFITKH-UHFFFAOYSA-N 471.370 5.068 30 20 JKED Cc1ncc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)s1 1791959192 YPUJPLKSUPWBOT-CSKARUKUSA-N 476.989 5.438 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)c1 1792125296 VICAKBCXWTWFGC-QGZVFWFLSA-N 492.501 5.789 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C2 1798594402 FJLPEFUTDCUHIL-LILSUDLASA-N 473.455 5.183 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccccc3)cc2)c1 1800344828 VNGRHQVEWPIXSH-OOSCYNTBSA-N 479.580 5.235 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(CC#N)cc3)c2c1 1800542568 PBUHSSYOXWMGHQ-NUNAXRQHSA-N 499.611 5.272 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccc(Br)cc2c1C 1801204190 QBQSZMFSPVQBNX-REPLKXPHSA-N 486.454 5.483 30 20 JKED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1802292509 LHKNKHROARSVAP-AYWYSENESA-N 460.599 5.202 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cc3cccnc3cc2F)[C@@H]1c1cccnc1 1802500778 OQDWWJXSTZSGSS-WXVAWEFUSA-N 488.607 5.010 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1802501097 SPNAVJLCBAGIRB-WIOPSUGQSA-N 498.067 5.834 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1802502615 DDWJOFYUZMBXOS-FPOVZHCZSA-N 451.592 5.201 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1806591164 HZGIOWRFQNXDKV-WIOPSUGQSA-N 485.550 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1808460915 INPOWIHJLWVOKJ-DGWZTRNLSA-N 484.600 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(OC)ccc3o2)[C@@H]1c1cccnc1 1809718944 IJRAZQIDINDHSG-NLFFAJNJSA-N 475.589 5.148 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)[C@H]1c1cccnc1 1810274998 PXCHNCOABYMXML-KCWPFWIISA-N 496.127 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810498740 PTMOELSUWPFDOJ-AOUFBRLBSA-N 477.674 5.694 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2Cl)N(C)C)[C@H]1c1cccnc1 1810502355 ICEUHOADHAGUHJ-TUSQITKMSA-N 497.083 5.036 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1811419621 ILGCAWWAQMFNBO-RQADYFSKSA-N 487.003 5.038 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)c1 1811722857 SPXPRNZMKHQJCD-YDEJRWGWSA-N 488.607 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccnc1 1813749811 GJLDWBDARZBKHT-XXBNENTESA-N 470.013 5.056 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)[nH]n2)C1 1814393432 LJKHHZPMOYSUAY-NRFANRHFSA-N 498.509 5.091 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)c2ccccc12 1814573366 PMPXYQFXVOVKAC-HSZRJFAPSA-N 457.578 5.046 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)[nH]n1 1814742389 BRQSETMQLYYSKN-HSZRJFAPSA-N 499.958 5.076 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1814828408 KWBRUDXPAYCPHM-QHCPKHFHSA-N 477.996 5.686 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(OC)cc2)[nH]n1 1814828947 ZCJONIIKVYJUEK-VSRFVYNTSA-N 462.594 5.282 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1815243398 JRQNBVVQVBLZKS-QFBILLFUSA-N 460.600 5.024 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817946021 WYYGZYCVFVHXGQ-SFHVURJKSA-N 472.014 5.078 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(F)c(F)c2)[nH]n1 1819301878 URWWEIRDFYSVPG-AVRDEDQJSA-N 456.537 5.081 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)[nH]n1 1819308912 HWLXBAUSCXPBQR-JTHBVZDNSA-N 492.620 5.281 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820202157 BSKYJMBHMVKPQZ-OAQYLSRUSA-N 451.546 5.328 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)[nH]n2)c1 1820308700 YMOAUDQXWWGMTG-QHCPKHFHSA-N 480.528 5.021 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1 1820486021 QVSGTVBFULOWDV-AREMUKBSSA-N 492.583 5.309 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c1Cl 1821120850 GZCXAGISMITVBV-GOSISDBHSA-N 486.334 5.347 30 20 JKED Cc1ccccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310364 QVCFIPJIEMVXKX-NRFANRHFSA-N 481.478 5.228 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1821925380 QXGAAMODVAEPBZ-HTAPYJJXSA-N 456.546 5.827 30 20 JKED CC(C)c1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1 1822138509 MCVDTQHVXXYGLM-VWLOTQADSA-N 469.589 5.148 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)CC1 1823664320 GNCCPTIHONRVEA-VWLOTQADSA-N 461.606 5.343 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823686186 QOWVSOJADXJKAB-SANMLTNESA-N 494.035 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 1823750967 YGCGKVUNSJTOEZ-NRFANRHFSA-N 465.560 5.326 30 20 JKED CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827680072 GRVOONFEYYHARI-WEOAWCGQSA-N 478.658 5.301 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncncc3c2)CC1)c1ccccc1 1828650549 JYEJNTIBLKNBKZ-LMSSTIIKSA-N 494.639 5.060 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828878913 VBMWCQADGJCOIZ-BTUGVJQXSA-N 470.679 5.203 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C)n2)CC1)c1ccccc1 1829030717 XBUNRYDREMISTE-KLRYLUDWSA-N 483.656 5.220 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)CC1 1829648349 SMABXFYRHHQIKP-KRWDZBQOSA-N 485.909 5.035 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)cc1 1830017024 QYEMGKXFSKCRAR-MHZLTWQESA-N 491.591 6.005 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c1Cl 1830572516 RAUDYYYWRHYFCS-NRFANRHFSA-N 488.390 5.551 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(C)cccc3Cl)CC2)c1 1830596131 UUDYWDFRWYCKFU-DEOSSOPVSA-N 480.008 5.076 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Br)c2CC)CC1 1830688374 PMUJFDCGLHUOIL-HSZRJFAPSA-N 473.455 5.048 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)cc(C(F)(F)F)c1 1830755848 NJWBCDKALKAKQL-FQEVSTJZSA-N 493.913 5.371 30 20 JKED Cc1cc(C)c(NC(=O)OC(C)(C)C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC#N)CC2)c1 1830802262 OBVURJNJZSTRBP-HSZRJFAPSA-N 496.652 5.188 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1)c1ccc(O)cc1 1830910288 HSCUVSWQBZGYNW-LSYYVWMOSA-N 498.623 5.569 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC#N)CC1)c1ccccc1 1831208046 JSPARHPXGICXNN-PXJZQJOASA-N 494.724 5.265 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1831444608 SPXZKQLTOVIOFY-HSZRJFAPSA-N 470.560 5.050 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1)C(F)(F)F 1831453676 HUAZMWMBPIYNPS-LJQANCHMSA-N 494.451 5.125 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc43)CC2)c1 1831980216 IFQXASGJUVZCMO-KPGYKUMBSA-N 469.629 5.277 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(Br)c2C)CC1 1832029955 ZADWWKFAXBOAAD-HSZRJFAPSA-N 491.445 5.324 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)c1 1832627637 GNPFMPCZMLMUNE-GAJHUEQPSA-N 499.442 5.563 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc(F)c1F 1832635852 WCQXGRIXMGXVKB-AVRWGWEMSA-N 479.571 5.447 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832712497 DFLXDTWZBHKDKB-IBGZPJMESA-N 476.461 5.289 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CCC1 1832787990 JETCJMMMDAVNSV-HSZRJFAPSA-N 468.041 5.075 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1832918987 LXMGRUPKYJRORN-DHIUTWEWSA-N 491.717 5.292 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1832932460 JYMQDSPFBICVFT-XWGVYQGASA-N 491.717 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cccc(C)c1)C2 1844355866 LOHPPVWXVVWLJI-QHCPKHFHSA-N 497.680 5.147 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(C(F)(F)F)s2)nnc1-c1ccc(Cl)cc1Cl 10480242 HIBZJCXTASWJFQ-UHFFFAOYSA-N 495.339 5.039 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)cc1C 11163485 XHRQTKNOODDXDU-UHFFFAOYSA-O 457.663 6.428 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 16150251 YOGFSLFTBHRKEZ-RUZDIDTESA-N 451.526 5.034 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 16260086 KEAWPUNPSHZIFV-JOCHJYFZSA-N 484.453 5.054 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 16862750 XOCQESGJVLBXON-ZDUSSCGKSA-N 466.916 5.923 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2sc(-c3ccccc3)c(C)c2c1=O 17131700 KQIDSPSIOCUCGQ-UHFFFAOYSA-N 477.611 5.359 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 20990611 AWMJOPXYDQETKE-UHFFFAOYSA-N 457.918 5.178 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 23518584 AGXKRRYGCZPRNZ-HOTGVXAUSA-N 474.989 5.194 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nnc1[C@@H]1COc2ccccc2O1 23592284 VOIMEWADAHGXMP-QFIPXVFZSA-N 492.626 5.791 30 20 JKED COc1ccc2cc(CN(C)C(=O)[C@@H](C)Sc3nc(C)cc(C(F)(F)F)c3C#N)ccc2c1 26145829 XANFAAXPPZAAQG-OAHLLOKOSA-N 473.520 5.582 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)o2)cc1 26494598 VUGBKEGUOSBPGF-QGZVFWFLSA-N 467.570 5.149 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCSc3ccccc32)nnc1-c1ccc(Cl)cc1 31792372 DJJJSLRVRKVGOK-GOSISDBHSA-N 457.024 5.230 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 33219781 QWHVYDYFRIIRBV-UHFFFAOYSA-N 469.404 5.900 30 20 JKED N#C[C@@H](C(=O)c1cc(Br)c2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1 195652828 XZHFDFAMSZZCSZ-ZDUSSCGKSA-N 461.724 5.445 30 20 JKED C=CCn1c(SCc2noc(-c3ccccc3)n2)nnc1-c1ccc(Br)cc1 302846141 VUZWZRUOHPQGCB-UHFFFAOYSA-N 454.353 5.236 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)nc2C)n[nH]c1=S 303344089 MEDQMCLJONEORS-UHFFFAOYSA-N 496.017 5.695 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2Cl)cc1 498371993 GJWJDVXRZHJWTB-UHFFFAOYSA-N 487.408 5.918 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 503539995 HVDLVNQBXZJQGF-FQEVSTJZSA-N 458.543 5.283 30 20 JKED N#CCc1cccc(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2I)c1 504981489 TYLNDZVWUQQHRO-NRFANRHFSA-N 470.285 5.016 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 507745857 ADQAPKXPIWENRO-OAHLLOKOSA-N 492.655 6.017 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CCOCC2)cc1 510645111 KVMMJEJAXFJMLO-UHFFFAOYSA-N 498.583 5.079 30 20 JKED CC(C)[C@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccccc1Cl 510745998 ISAYZCPCQUWKLS-FQEVSTJZSA-N 479.993 5.197 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1F 512950475 BHFNHLOHNJWWBJ-OAHLLOKOSA-N 481.622 5.592 30 20 JKED C[C@@H](c1ccccc1)n1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccccc1 515571270 BEVORIQJWIGQHB-FQEVSTJZSA-N 459.619 5.331 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Cl 515626454 HNUMNWDFUMRZDN-OAQYLSRUSA-N 465.962 5.071 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)cc1Cl 516469590 HIGAANJNQQDPCA-HHHXNRCGSA-N 480.999 6.667 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 516713543 MHKICZKVQMXSIJ-JOCHJYFZSA-N 485.565 5.237 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 517517696 HMKXIWPFXLQELW-LJQANCHMSA-N 491.638 5.080 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 518165510 HIJJVXDQXBOAIA-OXQOHEQNSA-N 461.006 5.689 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 518750627 XGSHWEBBWDKGJT-IBGZPJMESA-N 465.619 5.213 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 519432952 JLKPMQKCNKYLBB-QGZVFWFLSA-N 463.534 5.347 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)cc1 520531688 XEYLGWBZZVADLM-UHFFFAOYSA-N 482.561 5.885 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 521135449 YFFVQFXKUQLDJP-UHFFFAOYSA-N 467.978 5.063 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1 521718109 QXUHCUXDZMQXMK-UHFFFAOYSA-N 474.586 5.015 30 20 JKED Cc1nc(-c2ccccc2)sc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 524181725 SSDBWLDKUWJDGD-UHFFFAOYSA-N 470.573 6.041 30 20 JKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cnn(-c2ccccc2F)c1C(F)(F)F 589404256 GQQKZLJIDLGBCN-UHFFFAOYSA-N 471.376 5.511 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 603782436 HBIIKWJIVOVCQB-UHFFFAOYSA-N 450.336 5.559 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)cc1 603837015 SFEOANKFLJYHBR-OAQYLSRUSA-N 471.542 5.378 30 20 JKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1 603846784 RALWDGVLIWCPNO-LBPRGKRZSA-N 455.801 5.289 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nnn1-c1cccc(Cl)c1 604005254 VERMLVILSOBSGM-UHFFFAOYSA-N 457.921 5.127 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 604135654 QFAMWDTUKHCERV-ZCYQVOJMSA-N 459.977 5.838 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccn3Cc3cccs3)s2)c(C(F)(F)F)c1 608890047 WXCSBUINRKLVQP-UHFFFAOYSA-N 472.517 5.788 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)cc2)c1 609063674 JIGCIHFUORCZKD-UHFFFAOYSA-N 465.484 5.781 30 20 JKED CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CCN(C(=O)c2ccccc2)CC1 609206481 PIAFGRJJKDASGY-UHFFFAOYSA-N 482.584 5.100 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 609207629 JTOORWBFXHPYLQ-UHFFFAOYSA-N 482.584 5.214 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1ccc(OC)cc1 618070500 LDGWUJZKAWQHIY-ROUUACIJSA-N 450.608 5.060 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nnc1-c1cccc(C)c1 641903690 MQIJEAKGKSTFMN-UHFFFAOYSA-N 470.602 5.233 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccsc1)c1cccs1 726419682 GMMIDYKWFUTGFG-OBESFDLISA-N 455.630 5.400 30 20 JKED COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cc1NC(C)=O 726429709 VLHXNCLGYYGSLR-KTKRTIGZSA-N 458.345 5.410 30 20 JKED C#Cc1cccc(NC(=S)Nc2cc(-c3ccc(OC)c(OC)c3)sc2C(=O)OCC)c1 726450689 WZJFAIHYPYAKGU-UHFFFAOYSA-N 466.584 5.399 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)cc2F)[n+]2ccc(C(CC)CC)cc2)c1 726572442 FMRBISJFXDACNM-UHFFFAOYSA-O 463.573 6.461 30 20 JKED O=C1/C(=C/C2=Cc3ccccc3OC2)CC2(C/C1=C\C1=Cc3ccccc3OC1)C(=O)Nc1ccccc12 726743934 SVAMYACSGPENAQ-RYQLWAFASA-N 499.566 6.044 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\CCc3sccc3C2=O)cc1OC 726892598 NRKZDTZZYZJVSJ-LFIBNONCSA-N 483.973 5.649 30 20 JKED COC1CCN(c2ccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2C(F)(F)F)CC1 728009644 LLCSUDHJCGOXRC-UHFFFAOYSA-N 492.567 5.243 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)cc1 728188875 RJTSQLQUWPAQNY-UHFFFAOYSA-N 477.948 5.560 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1cccnc1 728420944 KWLBMTATYLVCHV-AUSIDOKSSA-N 483.597 5.292 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3Cl)C2=O)cc1 728424596 FDFHWIUAPJHOCL-QHCPKHFHSA-N 499.983 5.244 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3scnc3C)C2=O)cc1 729145087 HSVDIIBKWBFLDL-LJQANCHMSA-N 485.034 5.574 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ncccc3C)C2=O)c1 729634737 SAKXRFFVMMSEEY-HSZRJFAPSA-N 476.577 5.306 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(C2CCC2)C1=O 730459933 PKLKCTKVLCPFPX-HXUWFJFHSA-N 457.983 5.170 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCC3)C2=O)cc1 730462340 MWEMHSUQZVCIKA-QFIPXVFZSA-N 497.020 5.513 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c1 730726633 IWKUDNRJEKNNGE-NRFANRHFSA-N 482.993 5.612 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 730994684 LRMJFGFDSAJINH-QGZVFWFLSA-N 492.066 5.409 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1 731060083 CIVXWMHKHJRGLQ-OAHLLOKOSA-N 477.567 5.604 30 20 JKED Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 731067337 QEJBDJXSHUYZOS-IBGZPJMESA-N 487.581 5.295 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)c1c(Cl)cccc1Cl 731076501 FFGWOULAZBEISX-UONOGXRCSA-N 451.375 5.673 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nc1C 731225208 RUCSPWBPVDDKQD-UHFFFAOYSA-N 494.558 5.138 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)c1 731308635 OKHPMROGHOCBJC-XMMPIXPASA-N 484.581 5.041 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1ccco1 731308757 NJZXHBWHDLXJIB-UZUQRXQVSA-N 477.586 5.139 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1F 746698076 UATVYUYTVLVDLL-HSZRJFAPSA-N 490.535 5.607 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc2cc(Br)cc(Br)c2o1 747561527 LXKPPVBBEDWMAQ-ZDUSSCGKSA-N 496.542 5.572 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(CCc2nccs2)C1=O)Nc1ccc(F)cc1 747599473 JHYHAAQOMJPBHZ-SFHVURJKSA-N 488.997 5.139 30 20 JKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 748257534 UXJOMYGEZFWMQV-QHCPKHFHSA-N 463.647 5.399 30 20 JKED CC[C@H](C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccc2c(c1)CCCC2 749889087 IBDZXKCBPZDCHJ-SFHVURJKSA-O 466.671 5.249 30 20 JKED COc1cc(/C=C2/SC(=S)N(CCSc3ccc(Cl)cc3)C2=O)ccc1OCC#N 799200708 HKKMBZZDROBQLX-CPNJWEJPSA-N 477.032 5.244 30 20 JKED O=C(COC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(F)cc1F 843419872 CXTOPQBRWCQHPH-RJRFIUFISA-N 453.285 5.198 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cccnc1 857706161 RZWHDQDJPLBYEU-KRWDZBQOSA-N 471.611 5.836 30 20 JKED CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(c3nc(-c4cccnc4Oc4ccccc4)no3)C2)C1 904455732 LFPDRZHUOFQYAV-WYVJCVMXSA-N 473.533 5.178 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 907067854 WLKQEPJXGQISIO-UHFFFAOYSA-N 481.603 5.230 30 20 JKED COc1ccc2c(C)c(CCC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)c(=O)oc2c1 914519725 BMSWRVXYFWCBRK-UHFFFAOYSA-N 484.527 5.595 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1 915087113 ZWIFDYHNIQPYJR-QHCPKHFHSA-N 457.331 5.543 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915104226 NODACANASGHSQC-CQSZACIVSA-N 471.920 5.548 30 20 JKED CCCCCCn1nc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2ccccc2c1=O 915860102 IUJYFNWBWAEGAE-UHFFFAOYSA-N 481.556 5.597 30 20 JKED CC(=O)N(c1nc(C=NNC(=S)Nc2cccc(C)c2C)cs1)c1ccc(F)cc1F 915911468 AQGFINRHFOGVME-UHFFFAOYSA-N 459.547 5.043 30 20 JKED CCOc1ccc([C@@H](CNC(=S)Nc2ccccc2C#N)c2c[nH]c3ccccc23)cc1OC 915996243 LSQUOMJKWIDUFX-OAQYLSRUSA-N 470.598 5.565 30 20 JKED CCCOc1ccc(Br)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546303 KSHXTXKJCYHJDN-UHFFFAOYSA-N 465.804 5.657 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 916927020 COIGBQKSHNQWGG-MPGHIAIKSA-N 472.372 5.207 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)O[C@H](C)C2 916944727 LPQMJRRNFOLQKD-ZVPMKBIVSA-N 459.329 5.076 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 916951214 XYHQNBOYPFWHKK-BTYIYWSLSA-N 468.479 5.674 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 916953843 FDTVWOFRKCVBJG-CLOONOSVSA-N 495.645 5.114 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)n2)cc1 916975160 VNLKGCKYKTVAKC-HXUWFJFHSA-N 482.590 5.433 30 20 JKED CCn1c(=O)n(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc21 916995139 BFIUJJNTNKDYBO-HNNXBMFYSA-N 471.369 5.130 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045034 XAKPCZJADXYWOE-YJBOKZPZSA-N 489.494 5.112 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 917430463 KUJWESNMYVFQIO-MBSDFSHPSA-N 489.601 5.091 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(C)Cc2cc(Cl)cc(Cl)c2)c1=S 917476923 FFGZFBYBCPRYTN-UHFFFAOYSA-N 454.471 5.025 30 20 JKED CSc1cc(C2=NNC(=Nc3cc(C(F)(F)F)ccc3Cl)SC2)ccc1NC(C)=O 917626038 DHSHPDKLGLKBJW-UHFFFAOYSA-N 472.945 5.767 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2cccc(C)c2C)n1 917669706 FGEYXITVGPOOKB-HSZRJFAPSA-N 494.567 5.446 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](c1ccccc1)C1CC1 917700749 SQEPTUPQTFHIQQ-AHKZPQOWSA-N 494.620 5.348 30 20 JKED CC(C)CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917702641 HMBCFOALBACZLQ-NRFANRHFSA-N 452.555 5.094 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3sccc3C)C2=O)c1 917704594 MOHRQFVXBFVHSY-OAQYLSRUSA-N 490.610 5.097 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 919894053 ZIXOJLUGVWVLIW-UHFFFAOYSA-N 493.560 5.225 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc2ccccc2n1C(F)F 920112535 DXGSVPMPJFFUOI-PGRDOPGGSA-N 482.490 5.232 30 20 JKED CCOc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3ccccc3c2)cc1 920358800 BINPCEUJPLPWSR-XMMPIXPASA-N 473.598 5.039 30 20 JKED Cn1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c(-c2cc3ccccc3o2)n1 920370942 PDPMKUOGCYIFAJ-UHFFFAOYSA-N 499.383 5.482 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1 920457915 ZZGVOWRZXSNATB-UHFFFAOYSA-N 495.555 5.444 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 920807200 ZUHWNVKCVZFWSX-CXAGYDPISA-N 457.527 5.021 30 20 JKED CCOc1cccc(C=Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1O 920943084 PQNNXCSBMGLQTI-UHFFFAOYSA-N 460.939 5.004 30 20 JKED COc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 921263354 BUFNEPQQIWOYMW-LFIBNONCSA-N 485.433 5.693 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 925312903 RGPJPRHJXQNBHT-KRWDZBQOSA-N 467.978 5.193 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(Cl)c1 1786708451 HGICVOYHRSBYME-UHFFFAOYSA-N 487.987 5.405 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1787267805 LXUYCGWENPMCGI-UHFFFAOYSA-N 454.530 5.092 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1 1787624934 VANWILNJOKZINK-JOCHJYFZSA-N 469.626 5.170 30 20 JKED CO[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1)c1ccccc1 1787716944 FFQPPVYVHXLMMU-RXFWQSSRSA-N 467.569 5.449 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)COc4ccc(Cl)c(Cl)c4)cc3)CCC2)CCC1 1787726026 KEOUCIYAZQFYBM-UHFFFAOYSA-N 472.372 5.200 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4ccc(F)cc4)cc3)CCC2)c(Cl)c1 1787728531 GDWCSJPGJLGQOP-UHFFFAOYSA-N 477.923 5.177 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3ccccc3F)cc2)CCC1 1787745621 FFBDYVKQDZKKJV-OUKQBFOZSA-N 462.546 5.003 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787949861 OKDAIZJPNVGFHL-QMCNGJBUSA-N 488.632 5.299 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1 1788360827 LFEITPCKQNZMAK-UHFFFAOYSA-N 475.552 5.318 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cc6cccnc6s5)cc4)CCC3)c2c1 1788970965 BXCTYWYMAJNPGG-UHFFFAOYSA-N 492.564 5.106 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1 1790302030 FXXYIPFWMFOLPJ-LJQANCHMSA-N 453.542 5.384 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(Cl)c3)cc2)CCC1 1790637966 HTBDQFOCBSYYKU-UHFFFAOYSA-N 460.759 5.154 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)c(Cl)c4)CCC3)cc2)cc1 1790706433 BFMHXYSGDMWVFA-UHFFFAOYSA-N 479.367 5.516 30 20 JKED CCOc1ncc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790706481 HCQLNQVTLFPMIO-UHFFFAOYSA-N 488.975 5.261 30 20 JKED COc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(OC)c4)CCC3)cc2)c1 1791388161 NPEVEIATSCPBOW-KPKJPENVSA-N 481.552 5.037 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3scnc3C)CCC2)cc1)c1ccc(O)cc1 1791641961 LOXRCHZTVRRKFE-FQEVSTJZSA-N 473.598 5.102 30 20 JKED O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)CCC1 1792173870 MDPIUNUIFXBSEJ-UHFFFAOYSA-N 462.365 5.545 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C2 1797103463 WRVOAXRALAJCCV-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c2ccccc12 1797983507 COUGPHKNKJAHRB-MUJYYYPQSA-N 477.349 5.066 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C(F)(F)F)c2F)c1 1800413615 OPEVWPSCGRAYTH-FZDIXFNVSA-N 473.470 5.037 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1800810877 DKNSZTILLPDGOQ-BKFWDETESA-N 466.581 5.850 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1802498429 BNGLFWSPGVIOLE-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[C@H]1c1cccnc1 1802498952 CYQHJFUGQVPDKX-ZKMPZPQNSA-N 497.083 5.036 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1802733036 BWFSRDTYQSNMKJ-GJZUVCINSA-N 496.127 5.414 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)CC1 1802963961 PADWNCJFQIZUEB-UFHPHHKVSA-N 492.063 5.399 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC2)C1 1805459542 NSVQJHJNQMWSPV-BJKOFHAPSA-N 499.493 5.552 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1808707268 CNMBVMOPZMMXPL-WOIUINJBSA-N 475.511 5.090 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)s2)[C@H]1c1cccnc1 1808800127 YYURSGGMRAKFAP-ZJSXRUAMSA-N 465.663 5.529 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810243818 QMDIOAFKGUQZFD-UBRZPSKVSA-N 475.658 5.470 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1811794837 UXACGLUIPHHAJQ-XZDHIHRUSA-N 496.995 5.040 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1812590488 PHJZRVBKPNSFQI-MYIHVTGJSA-N 469.585 5.406 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)C[C@H](C)c3ccccc3)[C@H]2c2cccnc2)c1 1813869907 UVOGYVHTZCVBBG-GDCVQUFQSA-N 480.612 5.222 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc3c2CCCO3)[nH]n1 1814442763 YTYSIHJSMLCVNZ-IBGZPJMESA-N 456.612 5.095 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)[nH]n1 1814445723 VAQDQOCPYFODBL-NRFANRHFSA-N 482.625 5.044 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)sc2C1 1816947845 FYVZQYNZCKYZEN-QGZVFWFLSA-N 498.052 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3nn2)n[nH]1 1817932908 HEVDLOFHYKJOGM-JOCHJYFZSA-N 478.984 5.081 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)cs2)[nH]n1 1819306120 XDLLJVOWDFMYKJ-WBVHZDCISA-N 477.428 5.308 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)[nH]n1 1819310034 OIDDMLTXCQSALO-KYDUUQRPSA-N 466.557 5.031 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cccc2F)n[nH]1 1820421369 OAILIZHGSQIYJG-HXUWFJFHSA-N 472.612 5.045 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3Oc3ccccc3)n[nH]2)C1 1820434465 CFKUGFNSHZMHGT-HSZRJFAPSA-N 456.546 5.474 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)[nH]n2)c1 1820486060 SSUZYQKTIWPFLF-LJQANCHMSA-N 486.334 5.347 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821175734 OHBPLOAUJHRKIQ-NVXWUHKLSA-N 474.586 5.322 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821286709 BCJUPRWPLAVVNC-YJBOKZPZSA-N 473.401 5.116 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4c(Cl)cccc34)n[nH]2)c1 1821541592 NIXFIOYGMMCKFJ-QFIPXVFZSA-N 486.963 5.344 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n[nH]1 1821788745 VHVOWGVOTDRBDV-DNVCBOLYSA-N 498.496 5.522 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(Br)cc2C)[nH]n1 1821987337 PCXZRRPQSNHPCQ-CYBMUJFWSA-N 487.370 5.059 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1)c1ccc(O)cc1 1822466780 NXGFEGAIYIXHJD-SQJMNOBHSA-N 496.567 5.365 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2cccnc2)n[nH]1)c1ccccc1 1822760805 YHOXPVRRFHNMLC-INEVDKGJSA-N 481.600 5.098 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216180 CZIAQOVGKACJBJ-HXOBKFHXSA-N 459.525 5.104 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1823751050 IRQXVXLIKMGWCF-TWJOJJKGSA-N 466.666 5.411 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1823886119 RXPXPLGLOUYDGU-HSZRJFAPSA-N 496.449 5.385 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c1 1824052110 DNOUOUDNFWMCSM-QFIPXVFZSA-N 487.522 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)CC1 1824146743 KYRRASIXFAHQQF-RDGATRHJSA-N 465.613 5.169 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)cc1 1824238022 XYMAAKJYKLHEDP-XFAFFCHDSA-N 491.582 5.068 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1824541659 HVKHACZTIMSPDG-BVAGGSTKSA-N 493.673 5.616 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccsc3)CC2)c1 1825304539 VDPFXFCDYCWZPU-JBGVHOKCSA-N 461.631 5.322 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)cc1 1825855205 BADKBVUNQDJTGK-HXUWFJFHSA-N 456.011 5.015 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1826374453 XWODXNGTNBNWQK-SKCUWOTOSA-N 487.644 5.188 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2n1 1827278144 PGMNHBSZDJGYHY-KBMIEXCESA-N 484.600 5.310 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)cc12 1827412219 QMTYLAGEZHHMMS-JOCHJYFZSA-N 492.670 5.014 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1828155682 JGAYSQAEHHCNIH-DEOSSOPVSA-N 489.616 5.654 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nn(C)cc3c2)CC1)c1ccccc1 1829034619 AVTKRMVQBDNEME-XRKRLSELSA-N 496.655 5.004 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cc(C)ccn23)CC1)c1ccccc1 1829035215 MQBQDTOMIDCOJY-RRPNLBNLSA-N 496.655 5.073 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 1829068083 CXAFULOVOIKDNY-QFIPXVFZSA-N 464.606 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1829068926 YLWCHUFOSAGFIU-VWLOTQADSA-N 479.665 5.261 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1829690115 LJDANMFRCQRPAS-NZQKXSOJSA-N 454.014 5.191 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)c1 1829776190 MUFAKFLIOCOTBD-FQEVSTJZSA-N 481.021 5.302 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578126 JDPDRXNCXWATBY-NRFANRHFSA-N 466.931 5.006 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)c1 1830718708 LVVFICDJVCOQQB-VWLOTQADSA-N 494.517 5.004 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCOc3ccc(F)cc3)CC2)c(Cl)c1 1830720895 LOMAUHKXAOBFCA-VWLOTQADSA-N 497.998 5.053 30 20 JKED COc1ccc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830723253 YJCMOVXXLDRUEB-RUZDIDTESA-N 480.008 5.076 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831376713 RBDPTKINYQRBFC-DYESRHJHSA-N 469.607 5.255 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 1831806900 VVLOOSJNFDRDMD-HSZRJFAPSA-N 474.567 5.160 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831844015 YIFGNEBSHDCPSB-UZLBHIALSA-N 461.027 5.152 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1832029022 QRYGSIGGIWSRRF-HSZRJFAPSA-N 462.556 5.061 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1832627285 BEQXRDFACZKIFC-DFHRPNOPSA-N 482.628 5.051 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1Cl 1832629322 QVERMYXMDBRUIG-JOCHJYFZSA-N 488.390 5.551 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 1832631701 HCVNCMNFCGWGDH-CJFMBICVSA-N 469.585 5.607 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1832632460 REGJRXXHVLVPLU-YIXXDRMTSA-N 491.752 5.598 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1832747488 LTRNPJXESZRRNR-GBXCKJPGSA-N 467.654 5.117 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1836697730 UBLKSKAYTWHNCG-UHFFFAOYSA-N 493.475 5.682 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3sccc3Cl)CC2)CC1 1838422872 QSYLEMJLFHUJEY-UHFFFAOYSA-N 453.048 5.006 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)nnc1-c1ccc(F)cc1 10498122 FUDLXDWNRQEOCM-UHFFFAOYSA-N 462.550 5.184 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)cc2Cl)c1 10836740 GVZXLWQJTFSUDH-UHFFFAOYSA-O 452.333 5.918 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)n(C2CCCC2)c1C 11748997 YQEPLTITWCAUGT-UHFFFAOYSA-N 487.532 5.474 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 12476757 WCNCPLCJBZMNNS-UHFFFAOYSA-N 493.995 5.094 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccc(C)c(F)c2)c1 14872399 SHOBGMUIZZZEQH-UHFFFAOYSA-O 455.578 6.448 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc(Br)c2)c1 15247547 OZUIHCWHCVXNOM-UHFFFAOYSA-O 460.804 5.749 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cccc(Br)c2)cc1 15247666 QAWNBWYWYGOSOA-UHFFFAOYSA-O 482.467 6.691 30 20 JKED COc1ccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2ccccc2)cc1Cl 20053299 AVPCWJDCKSUVQP-UHFFFAOYSA-N 489.988 5.393 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)cc12 20993042 AZLBIVGNHQQBHD-CQSZACIVSA-N 464.934 5.105 30 20 JKED C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)N(CCC#N)c1ccccc1 21683182 UAAAYOBIKVUGOC-CQSZACIVSA-N 461.037 5.744 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(C)c1 22212572 OLVUKHSNGIRMMV-CQSZACIVSA-N 457.943 5.120 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 22493113 LPUYFSFCEQBVJT-LJQANCHMSA-N 474.944 5.372 30 20 JKED C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 22879608 UIJWZJPTVQYVJF-VIFPVBQESA-N 476.398 5.330 30 20 JKED C=CCn1c(SCC(=O)OCc2csc(-c3ccccn3)n2)nnc1-c1ccc(Cl)cc1 22990629 YNLYQLOMTXDKQI-UHFFFAOYSA-N 484.006 5.139 30 20 JKED C=CCn1c(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)nnc1-c1ccco1 23202252 RZVGGNSHWGTNJU-GFCCVEGCSA-N 451.533 5.135 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1C 23210069 TVEVMPVJSYFNAR-FQEVSTJZSA-N 498.608 5.130 30 20 JKED N#CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)c1ccccc1 23430378 LIEFHVNXVMGOKI-UHFFFAOYSA-N 498.395 5.542 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2scc(-c3cccs3)c2c(=O)n1C 23539554 RPCBBXMVASIMSY-CQSZACIVSA-N 487.697 5.480 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 25839422 KDIBIPMCQFYPLX-UHFFFAOYSA-N 465.513 5.430 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 25841554 MMBFLKOQCFGXOK-CYVLTUHYSA-N 482.565 6.575 30 20 JKED Cc1c(C#N)c(NC(=O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)n(C2CCCCC2)c1C 26126492 WKBCSGIFKUGEPM-UHFFFAOYSA-N 497.521 5.363 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(CC)cc3)s2)nc2sc(C)c(C)c2c1=O 32324140 GJGKTSFSKGHMMI-UHFFFAOYSA-N 497.671 5.219 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)sc2c1CCCC2 45699146 BPODXQPCSJQUQA-UHFFFAOYSA-N 488.642 5.694 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1F 195569193 FHUFXYHUJPZGII-CYBMUJFWSA-N 461.360 5.152 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)cs1 409515078 CRIDMJIORKVGPP-QGZVFWFLSA-N 473.602 5.112 30 20 JKED CC(C)COC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccco1 481633175 YJDXAXNSIMWKEC-JOCHJYFZSA-N 451.498 5.405 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 487995175 INBMKCQEFKSCKK-UHFFFAOYSA-N 458.493 5.048 30 20 JKED COC(=O)[C@H](C)SCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 498123632 FFYZNLIZQKKNSJ-HEWZJLJBSA-N 470.616 5.533 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 499100271 KSSGTABQBMKYDP-UHFFFAOYSA-N 474.483 5.140 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 502515831 XHTYHCFTDUDTKY-UHFFFAOYSA-N 469.488 5.238 30 20 JKED C=CCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 506220981 SIXRJEFSHNDWQE-SFHVURJKSA-N 485.569 6.119 30 20 JKED C=CCc1ccccc1OC[C@@H](O)COc1ccc(NC(=O)c2ccccc2Br)cc1 506316182 SXVBDNOKRFVSPR-FQEVSTJZSA-N 482.374 5.249 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 507988680 HBPSKPVSNFYAPB-FQEVSTJZSA-N 484.556 5.918 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 508242545 NAMXRAQLMJJCHG-KRWDZBQOSA-N 485.544 5.526 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1Cl 510042041 GFSVHWUUZIGLOR-SANMLTNESA-N 482.971 6.291 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 511392507 WBAXTJFEPUGCQS-UHFFFAOYSA-N 462.553 6.134 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1OC 514357452 NLNHJZMCKVWPET-LJQANCHMSA-N 463.607 5.018 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 515157171 KAAXODOKWLOTEU-FQEVSTJZSA-N 490.387 5.052 30 20 JKED C=CCN(C(=O)COc1ccc(Br)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515327644 IVFKHHHLJSFSPV-UHFFFAOYSA-N 492.326 5.218 30 20 JKED N#C[C@H](C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc(Cl)ccc2s1 515546783 ASOGJMPWUXALMO-GOSISDBHSA-N 474.007 5.004 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 518653911 ODSVIFICDHMLIM-SJORKVTESA-N 499.687 5.311 30 20 JKED Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1 519424933 MKRJYAOIXSOIIK-SFHVURJKSA-N 465.600 5.300 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1S[C@H](C)CC#N)O[C@@H](C)C2 520941019 BOJVMWPHZFPCRY-HPNQWNLUSA-N 451.592 5.481 30 20 JKED C=CCOc1ccc(CN[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1Cl 520948117 VVTWEZMOSQYIDE-SFHVURJKSA-N 452.957 6.076 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1Br 521188658 ILOOBZLTOPXEMG-UHFFFAOYSA-N 465.189 5.773 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc(-c2c(F)cccc2F)cs1 521261705 YBIULPLJALUANG-CYBMUJFWSA-N 499.951 6.546 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc4ccccc4c3C(F)(F)F)n2)cc1 521553112 UFJPDVBPBLFSIK-INIZCTEOSA-N 453.445 5.876 30 20 JKED N#Cc1cccc(COc2cccc(CNCc3ccc(Cn4cnc5ccccc54)cc3)c2)c1 521833762 JATVQBHKERNFNM-UHFFFAOYSA-N 458.565 5.825 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 523380985 PCHRJPAHEMUTOR-STXQHDJLSA-N 451.570 5.143 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1sccc1OC(F)F 591122358 HNSNWWUUASMKRF-UHFFFAOYSA-N 465.318 5.484 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H]1c1ccc(OC)cc1 603765509 WNSZDCUXCLJQGS-NAKRPHOHSA-N 498.583 5.473 30 20 JKED CCc1cc(C#N)c(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)s1 604029379 XLJNHNBADYBCFZ-UHFFFAOYSA-N 454.349 5.449 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3SCc3cscn3)cc2)c1 609065119 YBWFOUZVYIIDCP-UHFFFAOYSA-N 457.580 6.138 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 609078315 IWMPIYBIWXNGCG-JOCHJYFZSA-N 466.541 5.998 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 609079295 UWKGTAXFCNNECJ-UHFFFAOYSA-N 499.567 5.044 30 20 JKED COc1ccc(Cl)cc1CN(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087015 NVDXCXAMYBPTNW-UHFFFAOYSA-N 498.366 5.050 30 20 JKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc(OCc2ccccc2)cc1 609172702 ANIAPSUGQXNIOT-DEOSSOPVSA-N 451.482 5.106 30 20 JKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc(OCc2ccccc2)cc1 609172711 ANIAPSUGQXNIOT-XMMPIXPASA-N 451.482 5.106 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 609208719 HEEDKFYJAHXDJE-QLPKVWCKSA-N 471.401 6.382 30 20 JKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1Br 609378826 CLFXXCYRSGJJBC-LLVKDONJSA-N 490.242 5.264 30 20 JKED CC[C@@H](C(=O)N1CCC(NCc2cccc(OCc3ccccc3C#N)c2)CC1)c1ccccc1 609433419 ZDQUYZHZXBTHOV-GDLZYMKVSA-N 467.613 5.412 30 20 JKED CCC[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)Nc1cccc(N2CCCC2)c1 609435382 KTCOOHUEFZDVTQ-XXBNENTESA-N 479.650 5.610 30 20 JKED N#Cc1ccc(Oc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)c(Cl)c1 610337777 XHQIXFYLUATZTC-UHFFFAOYSA-N 462.962 5.508 30 20 JKED CCOc1ccc([C@H](CNC(=O)NCC#Cc2ccccc2)c2c[nH]c3ccccc23)cc1OC 642664664 CZOIZBGQQCWTJI-DEOSSOPVSA-N 467.569 5.058 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Br)cc1 645079436 GTRCLFAJPLLSSX-UHFFFAOYSA-N 478.799 5.434 30 20 JKED CC[C@H](C)C(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 726321347 GDVPAQDDZMBSET-ZQIUZPCESA-N 464.418 5.578 30 20 JKED Cc1cccc(C(=O)OCCOc2c(C#N)cnc3ccccc23)c1NC(=O)c1ccccc1F 726363696 BUDZGFCCFSAQRU-UHFFFAOYSA-N 469.472 5.042 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCc1ccccn1)c1cccs1 726422392 VXEWSWMDUABAAV-IPTCSCHISA-N 499.061 5.429 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)c1 726885718 FVIDPRNNWKDDEO-HSZRJFAPSA-N 493.585 5.238 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)c2)cc1 727267471 VDYCZUQYTJDGAH-KPKJPENVSA-N 475.457 5.277 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)cc1C 727406876 SKWCSPUYZUISEL-UHFFFAOYSA-N 460.538 5.075 30 20 JKED CCNC(=O)COc1ccc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1OC 727654586 NWTAOWPUQIGIOT-VZUCSPMQSA-N 470.978 5.192 30 20 JKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1OC(F)F 728667853 CYBBPEPMJKZJFU-OAHLLOKOSA-N 452.413 5.136 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1 728777044 IHRKEDVUUSZBKF-FQEVSTJZSA-N 454.983 5.303 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cc(F)ccc1F 729631926 NFSPMJNGUSHARD-QFIPXVFZSA-N 494.498 5.136 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)nc2ccccc21 730685500 JFXYIZNHNADPDU-SBUREZEXSA-N 450.325 5.877 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 730944227 UDGDHSRWFVESHV-BTYIYWSLSA-N 482.968 5.596 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 730945775 XSWDVZXCRKAPRX-BTYIYWSLSA-N 499.423 6.110 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sc2cccc(Cl)c2c1Cl 731070473 LZDWVAUKLZANAS-GFCCVEGCSA-N 479.410 6.398 30 20 JKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731075478 CAFVSTKJGQILCG-IEBWSBKVSA-N 452.576 5.081 30 20 JKED COc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccccc2Cl)cc1 731159429 QVPCDKFUGQHTDS-UHFFFAOYSA-N 462.962 5.791 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)cc1F 731306820 BXCIOCQGGGPZCO-FQEVSTJZSA-N 483.590 5.370 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)c(F)c2)cc1 731308532 LRDGDICFHFWENU-QHCPKHFHSA-N 493.560 5.009 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Br)c3)N(C3CC3)C2=O)c1 732785419 YCBILUJQHHCYAQ-LJQANCHMSA-N 472.408 5.189 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2cc(C)ccc2F)cc1 744115991 NXUSWPDXRFQGKR-UHFFFAOYSA-O 478.613 5.714 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2cccc3cccnc23)ccc1Cl 745070726 GVUMMWKSWJVAMT-UHFFFAOYSA-N 492.000 5.200 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)cc2F)c1 745583865 KGCFMWJRJNEUFI-JOCHJYFZSA-N 481.524 5.134 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc2c(c1)COC2)[n+]1ccc(Cc2ccccc2)cc1 746026825 XKQUNJVMGUOYAR-UHFFFAOYSA-O 490.608 5.790 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)cc1 746698302 ZMZKIABOAGEXPK-JOCHJYFZSA-N 483.634 5.087 30 20 JKED COc1ccc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)cc1OCCCC#N 747361196 GQPBLOMJLWGCBE-JJIBRWJFSA-N 452.510 5.414 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747601069 DGXOAKBKCJQYCS-QFIPXVFZSA-N 490.585 5.596 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(CCCCOCc2ccccc2)C1=O 747601841 HPMIRVNTGGPPRG-OAQYLSRUSA-N 488.053 5.021 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 747957772 AHFSNYPLDQHMMU-CYBMUJFWSA-N 496.570 5.104 30 20 JKED CC(C)c1ccc(-c2ncc(COC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)s2)cc1 748409870 NPQDTHNCDFWXOJ-UHFFFAOYSA-N 468.600 5.368 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 750702698 PHIVCNAZXINQPC-IBGZPJMESA-N 450.539 5.119 30 20 JKED Cc1nc2ccccc2c(=O)n1N=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 751409771 WQTVKOLMMGNRSE-UHFFFAOYSA-N 459.509 5.245 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CC)C1=O 799218683 IXYKFALJALDORD-IBGZPJMESA-N 477.533 5.057 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cc(C)ccc2C)cn1 837452852 GKUQTOAOGCBUKA-JOCHJYFZSA-N 492.576 5.007 30 20 JKED C[C@H](OC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 853830211 QZIKCCBGKPAHND-LBPRGKRZSA-N 463.540 5.162 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cn(C(C)C)nc2C2CCOCC2)cc1 856620634 DWVVHKKMYITWGF-UHFFFAOYSA-N 460.534 5.283 30 20 JKED CCOc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C 914541155 LUTYHGOLKCZCMN-JOCHJYFZSA-N 492.576 5.088 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914546663 RCVXWYKOHNIWAP-QHCPKHFHSA-N 477.561 5.133 30 20 JKED CCn1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(=O)c2cc(Cl)ccc21 914980171 RZYCVSGAEPUJHD-AWEZNQCLSA-N 498.004 5.061 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CC2CCC2)C1=O)Nc1ccc(F)cc1F 915112404 YLUJWPWNXGOJLS-LJQANCHMSA-N 465.472 5.003 30 20 JKED Cc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2F)o1 915116154 CKDSHYJODSZCDO-OAQYLSRUSA-N 487.503 5.208 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 915180190 LOMNEPYQMNIWSM-XMMPIXPASA-N 487.471 5.278 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 915780752 CWLMRDMOLJHCKK-LCLWPZTBSA-N 497.439 5.306 30 20 JKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)on1 915860277 QBAFFCVAKWVGOS-UHFFFAOYSA-N 456.527 5.895 30 20 JKED Cc1ccc(NC(=S)Nc2ccccc2C#N)cc1S(=O)(=O)Nc1cccc(Cl)c1 915995770 UWXQHBSNWPOPIK-UHFFFAOYSA-N 456.980 5.130 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)CSCc1coc(-c2ccccc2)n1 916036695 VCFAERIJCLEJQC-UHFFFAOYSA-N 473.348 5.213 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc(Br)c1O 916128137 SFBWNLNXQNLLSR-GHXNOFRVSA-N 482.330 5.077 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccccn3)C2=O)c1 916206407 YLJYGGWVWUUWHM-QFIPXVFZSA-N 496.995 5.651 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC(C)C 916215858 LNJRLMDTSGVMPM-IBGZPJMESA-N 463.525 5.630 30 20 JKED Cc1ccc(C(C)C)c(Oc2ccc(C=Nn3c(S)nnc3[C@H]3CCCO3)cc2[N+](=O)[O-])c1 916367830 QHZYYTMBUSZHOZ-HXUWFJFHSA-N 467.551 5.433 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)cc1 916719664 GNNBPJCLLXEXDZ-HELSZXIZSA-N 498.649 5.047 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847974 XQRQBUMJSPVCOZ-IAQYHMDHSA-N 488.432 5.395 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2cccc(Cl)c2)n1 916907993 KMBPZDPVZCKTBZ-IBGZPJMESA-N 473.941 6.217 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1 916925294 IHHIITBUQPLEAX-SFHVURJKSA-N 451.573 5.104 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(CSc2ccccc2)cc1 916928945 ZAQSVCKWPNPSIN-IBGZPJMESA-N 455.366 6.247 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 917043482 MCPXHVQYEQPYOD-MRXNPFEDSA-N 488.325 5.960 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C/C(=O)c1ccc2c(c1)CCC(=O)N2 917146476 NYAPAOHMLAKSEX-PKNBQFBNSA-N 450.336 5.032 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc2cc(Cl)ccc2s1 917430849 VKUKYAHVWLBBJM-GFCCVEGCSA-N 494.848 6.316 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)CC1 917664885 UZUZLBJBNOUJPM-JOCHJYFZSA-N 482.625 5.049 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)c1 917675727 YYXMAJXRWKEQDJ-HSZRJFAPSA-N 495.551 5.272 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2)n1 917679830 UUQHCVHFEUMKPQ-OAQYLSRUSA-N 482.968 5.343 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCCOc1ccccc1C#N 918900008 QEHVKCSOBPBJAR-INIZCTEOSA-N 491.594 5.179 30 20 JKED C=CCN(C(=O)COC(=O)COC1CCCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919387826 LQLIBFPIKXWOSA-UHFFFAOYSA-N 469.390 5.138 30 20 JKED C[C@H](OC(=O)CCCCC(=O)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919498125 QZJNRQVLPNXDRL-KRWDZBQOSA-N 452.576 5.202 30 20 JKED CCCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H](C)c1cc2ccccc2o1 919776134 PRJPIBIMYJUVJB-BDXFJIPASA-N 482.606 5.251 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 919893614 KWTRQKSKECSWES-ZROIWOOFSA-N 465.553 5.550 30 20 JKED COc1cc(C#N)ccc1OC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 919980250 RDKKXOACABPVAP-UHFFFAOYSA-N 460.287 5.159 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc3ccccc23)s1 920169315 FLNVHQQXSVQGKN-AOMKIAJQSA-N 463.628 5.571 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 920175980 OLBJFXKWSUONHL-XDHUDOTRSA-N 488.588 5.431 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)ccc1Cl 920271528 NQIWPKIFFGYBKF-XMMPIXPASA-N 497.016 5.404 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(C2CC2)[C@@H](C)c2ccc(Cl)cc2)c1=S 920306338 YJAYVDCUFLZTFW-IBGZPJMESA-N 460.091 5.465 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(Cl)c(Cl)c2)cs1 920355902 HNSRROHFBOMLDA-UHFFFAOYSA-N 473.307 6.599 30 20 JKED N#C[C@@H](C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2c(F)cccc2F)cs1 920804300 OOFQIAVMVXRHKL-LBPRGKRZSA-N 496.417 5.694 30 20 JKED C=CCN(C(=O)c1ccc(CNC(=O)C=C)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 921148894 VDWMDHIXGIELKD-UHFFFAOYSA-N 472.397 5.752 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1Cl 929074461 LKEDCLKYKNCJLD-QHCPKHFHSA-N 467.960 5.771 30 20 JKED CCOc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1785768549 GMVHNJQTKZRKCC-UHFFFAOYSA-N 498.583 5.201 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ncc(OC(F)F)cc4Cl)CCC3)cc2)C1 1785806781 FULKOMXCOWZELE-UHFFFAOYSA-N 461.896 5.050 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1)c1ccccc1 1785912236 NZAWHBROTWPGDL-HSZRJFAPSA-N 450.529 5.363 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OC(C)(C)CC4)CCC2)cc1 1786372436 YECYIGBXLDUIBR-IBGZPJMESA-N 462.590 5.129 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)c(C)o1 1787342320 WGXISENQTAYGNU-UHFFFAOYSA-N 482.462 5.243 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1789458232 REINOMBDWOLLSI-PKTZIBPZSA-N 481.637 5.288 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1789558391 JASGFPCUAZVXTK-CHSRBZLBSA-N 487.556 5.109 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cccnc3SCc3ccccc3)cc2)CCC1 1789932439 NGNJCZVXUMKKGL-UHFFFAOYSA-N 456.571 5.035 30 20 JKED COc1ccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc1 1790144460 NWDSRRRCURSHSH-UHFFFAOYSA-N 491.551 5.018 30 20 JKED Cc1ccc(S/C=C/C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc1 1790146486 SSEDUYQHZCSORU-SDNWHVSQSA-N 456.571 5.249 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)ccc5[nH]4)CCC3)cc2)cc1 1790289970 GYRYKEYXXAXIKC-UHFFFAOYSA-N 452.489 5.240 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4cccnc4)CCC3)cc2)c(Cl)c1 1790767862 SHODCKGHDBYZQV-UHFFFAOYSA-N 472.976 5.377 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)CCC2)cc1 1791298869 YLKWVUMNVAOYNG-UHFFFAOYSA-N 492.448 5.312 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@H](C)CN3C(=O)OCc3ccccc3)CCC2)cc1 1791587657 BTXXWLNLQZKUDH-OFVILXPXSA-N 489.616 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCc5ccccc5[C@H]4O)CCC3)cc2)c1 1792122516 BNOSHDLWYDSIMZ-MVCUUDKNSA-N 493.607 5.357 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Cl)CCC2)cc1 1792239844 JXWQOSJIEBXRII-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)CCC2)cc1 1792262855 ZOFYTEMDWPWHQG-RUZDIDTESA-N 489.616 5.108 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2cnccc12)c1ccc(C#Cc2ccccc2)cc1 1798131874 CKIKKEMGFPWIQH-OUOZDZGXSA-N 485.587 5.200 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C)C2 1798590840 QQBLQXFWJKUHPV-KHUIQGCPSA-N 497.680 5.191 30 20 JKED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2cccc4ccccc24)C3)c1 1799420404 JSASEBGNUKXYFD-NUNAXRQHSA-N 490.563 5.397 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1803081904 OTJHMNMQOARDAN-XUZZJYLKSA-N 451.998 5.131 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3cccc(Br)c3)C2)CC1 1805898164 ZPDSFHQCMIDFRZ-FQEVSTJZSA-N 491.470 5.052 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1807968759 YBMBTHMFSRMBTR-PZJWPPBQSA-N 451.592 5.201 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1809095340 GQQXQZIOQYNSRL-BVAGGSTKSA-N 470.617 5.250 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1811947556 VGFSTYIXNPJNMB-ATIYNZHBSA-N 479.596 5.096 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@@H]1c1cccnc1 1812596146 IRMIQWPWEPVCEO-GEQKSPFYSA-N 486.443 5.338 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1813224024 PPCHLSAJVQDEEG-FNZWTVRRSA-N 477.008 5.038 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1813224026 PPCHLSAJVQDEEG-IBVKSMDESA-N 477.008 5.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccnc1 1813748031 KPGUACTUMWOLTE-WMZHIEFXSA-N 470.013 5.056 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)COc2ccccc2C#N)[C@H]1c1cccnc1 1814065879 RZHCHPDCMSDFPM-RBJSKKJNSA-N 490.648 5.035 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n[nH]2)cc1 1814372040 HDLXPYKSUOKVOC-JOCHJYFZSA-N 472.936 5.036 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)c(C(F)(F)F)o1 1814378446 OADJLDCUWYVFAH-FQEVSTJZSA-N 499.493 5.140 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)[nH]n1 1815212968 LYYVUGFGRFGTNZ-UTKZUKDTSA-N 492.542 5.035 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1 1816102201 UIBWPAJIYNOZKI-NRFANRHFSA-N 467.520 5.231 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)[nH]n1 1817124216 ZFTSQOLVALZPGK-HSZRJFAPSA-N 473.602 5.312 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)Sc3cccs3)n[nH]2)c1 1819257888 LPMSPLJMFYEMIX-OXQOHEQNSA-N 479.631 5.138 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[nH]n1 1819305732 YEBVMIUPYWSTGE-NGCZYSEMSA-N 487.648 5.548 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1sc(-c3ccccn3)nc1C)CC2 1820097917 KCUIFKHYMZHCCW-MRXNPFEDSA-N 495.674 5.188 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)[nH]n2)c1Cl 1820217409 JIIYSKWJNFPKDX-GOSISDBHSA-N 475.927 5.066 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820219993 CPCBPUVBNBAJKS-OAQYLSRUSA-N 496.087 5.292 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1F 1820224085 ZSNONFGZLRFEJC-HXUWFJFHSA-N 483.906 5.141 30 20 JKED Cc1ccc(C2(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(C#N)c[nH]4)n[nH]3)CCCCC2)cc1 1820310219 NVENPCBMWDVYAN-XMMPIXPASA-N 484.604 5.126 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c(Cl)c1 1821125279 BHHZYNLNUILWSY-HXUWFJFHSA-N 486.334 5.347 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821242128 BYGCXWXLVNFWFD-HXUWFJFHSA-N 484.398 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2N2CCCCC2)n[nH]1 1821307098 SGUMTAXURKBKLK-SQJMNOBHSA-N 475.637 5.474 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[nH]n1 1821923378 WZIWUZCHNHLTNA-HOYKHHGWSA-N 482.588 5.471 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1822585268 OUOXSWATRWAKFX-IBGZPJMESA-N 464.463 5.067 30 20 JKED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2C1 1823230093 BGFZLIGYZCKDMM-HXUWFJFHSA-N 491.613 5.144 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823291168 MKDYAJGEUPFYSY-HSZRJFAPSA-N 489.551 5.136 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)n[nH]2)cc1 1823300540 OISBXNBUAWUVID-NRFANRHFSA-N 499.468 5.253 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823315740 SEXXBZVFXWQZJG-IBGZPJMESA-N 491.817 5.325 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)C1 1823700186 MSOMUCCASJLVIJ-GDLZYMKVSA-N 493.651 6.101 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(O)nn3)cc2)CC1 1823752984 AJDBANAVVILDRG-VWLOTQADSA-N 490.648 5.075 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1823812596 MLSSWBSGRMACGA-GMQQYTKMSA-N 490.047 5.178 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1823885056 DAIZDHGGSMSBGR-RUZDIDTESA-N 482.628 5.389 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1823948847 WVPIVIFPWTZYCT-FIPFOOKPSA-N 487.644 5.325 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c[nH]1 1824051176 FRQKHKMUEQPZRH-VWLOTQADSA-N 474.649 5.050 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1824501346 IHUCQBVGVFTHIO-DEOSSOPVSA-N 472.029 5.037 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)cc1 1825092271 OAALLGFLLYMVRC-NDXXQBJSSA-N 494.639 5.305 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1826693762 MIFMEOISPNCYII-SANMLTNESA-N 475.658 5.516 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1)C(F)(F)F 1827334911 YUEMQASLGYFPPB-HSZRJFAPSA-N 485.550 5.409 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C\c2c[nH]c4ccccc24)CC3)c1 1827694673 ZLIBBVNBKXTXEE-REPGQGFSSA-N 495.608 5.191 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734382 CSKCRVHOICDCNE-WMZHIEFXSA-N 469.025 6.046 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)CC1)c1ccccc1 1827926912 RITDYAZVWNANFX-WDYNHAJCSA-N 485.672 5.383 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cccnc34)CC2)c1 1828039104 DFKZAELSQNQVEW-KDYSTLNUSA-N 480.612 5.409 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)cc12 1828577798 CWXJHSPDSSBBEF-NFPSEPLVSA-N 489.641 5.210 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 1828826541 GVYPOAQKFWGHPW-PKOBYXMFSA-N 469.573 5.164 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 1828904946 FTUVGEMNSFTVHP-AREMUKBSSA-N 477.725 5.452 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccsc2)CC1 1828905720 XFWJVMKRCMPUGD-XMMPIXPASA-N 472.771 5.352 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(=O)OCC)cc2)CC1 1829068588 GLAXFTCVVBLSTO-DEOSSOPVSA-N 468.638 5.089 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3cccc4ccccc34)CC2)c1 1829954018 UUVLTXICGVFTNZ-HHHXNRCGSA-N 481.596 5.024 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1830417177 TTXMVXOXUDWXHL-OXJNMPFZSA-N 468.425 5.028 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1830418786 AGZYYVSUCBIDCE-UTKZUKDTSA-N 482.452 5.336 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830629399 YCRGEVIVRPXPGF-VWLOTQADSA-N 485.584 5.060 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3O)CC2)c1Cl 1830955004 QGISDWZBCZHLGP-QFIPXVFZSA-N 491.975 5.211 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)Oc1ccccc1 1831232708 RTZAKHJMKZMDMI-FQRUVTKNSA-N 494.035 5.303 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1831373253 AQVVUTYHOPAICX-KOSHJBKYSA-N 469.029 5.176 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1831445703 SCFYKNFAUQKPFG-INIZCTEOSA-N 452.592 5.408 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F 1831453080 LEZCPKWCXBLZDX-GOSISDBHSA-N 462.434 5.057 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1831514700 DAUNTFQGMISOMM-SWDTZWKESA-N 478.658 5.048 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1831948857 RSYRQJQTRSIPBT-JOCHJYFZSA-N 482.974 5.325 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1832028470 PIIFTNVHSNVGQI-NEKDWFFYSA-N 478.677 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2ccccn2)CC1 1832168161 MLIQRRIKPGSWBQ-IRLDBZIGSA-N 457.684 5.174 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1 1832632461 RPJPRDRCFWAGNU-HTAPYJJXSA-N 486.538 5.208 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832706256 KPXRYAANBSPXDI-QFIPXVFZSA-N 466.519 5.271 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CCC1 1832714458 DGMWCQVVLVRSCL-FQEVSTJZSA-N 466.384 5.060 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832988448 JOGGKNYCAUHMMN-JZDPJBRYSA-N 495.667 5.669 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCc3ccc(C)c(F)c3)CC2)CC1 1836840614 QXMYEIBGSNSERW-UHFFFAOYSA-N 472.645 5.058 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 1836882991 MUWFWMFTFASGEB-SANMLTNESA-N 496.673 5.046 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179048 NYIUHPPVBROMMC-UHFFFAOYSA-O 464.825 6.548 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1C#N 10711126 DRZXVFYIBHKMNE-UHFFFAOYSA-N 470.765 5.308 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccc(F)cc1F 11247565 DDWNHCOPHDTNCD-UHFFFAOYSA-O 476.366 5.628 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccccc2CC)cc1 11252805 IQMXCWJKJQQUDI-UHFFFAOYSA-O 475.634 5.888 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C(=O)OCC)cc2)cc1 11252958 CDXRJFBNZLSCAJ-UHFFFAOYSA-O 487.645 5.643 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(N(C)C)cc1 11258569 PEFTZEZVKXNWBD-UHFFFAOYSA-O 467.058 6.176 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)n(-c2ccccc2)c1C 11530336 ARPMFNUSEBUMCQ-UHFFFAOYSA-N 486.576 5.429 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccc(OC)cc1 11811356 SGOLHSMJBWEFFE-QGZVFWFLSA-N 483.663 5.443 30 20 JKED COc1ccc(Oc2ccc(Cl)cc2NCC(=O)Nc2ccccc2SCC#N)cc1 15365444 VDRXFYZQQBWRLY-UHFFFAOYSA-N 453.951 5.807 30 20 JKED C=CCN(C(=O)CSc1nnc(C2CC2)n1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 19197543 MJTUONBQFLPBKF-UHFFFAOYSA-N 494.473 5.917 30 20 JKED C=CCn1c(SCC(=O)c2ccc3c(c2)CCC(=O)N3)nc2scc(-c3ccccc3)c2c1=O 21253548 FPNCTSAETBSXNK-UHFFFAOYSA-N 487.606 5.171 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 21643295 MFIZKVFMMKDBDK-HXUWFJFHSA-N 487.654 5.791 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(Cc3ccccc3)cc2)s1 22728710 FBCNJLTYZGESBV-UHFFFAOYSA-O 485.698 7.109 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccccc1C 23338884 ISYNUWAAUYEXAX-FQEVSTJZSA-N 498.612 5.074 30 20 JKED CCc1c(C)sc2nc(S[C@@H](C#N)Cc3ccc(C)cc3)n(C[C@H]3CCCO3)c(=O)c12 24840428 IKFYQTPBCHJWDK-RTBURBONSA-N 453.633 5.043 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 25638601 NWZPASVABZRTCL-QGZVFWFLSA-N 493.658 5.516 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccc(C(CC)CC)cc1 27309975 QSIHNPGXHJFQNH-UHFFFAOYSA-O 464.655 5.109 30 20 JKED N#Cc1c(NC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)sc2c1CCCCC2 31626855 FEPJLDGPLNEOSQ-UHFFFAOYSA-N 478.574 5.105 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 97542504 GJKBXBKBWKPVEI-UHFFFAOYSA-N 487.644 6.030 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N(CC)C(C)C)cc2)nnc1-c1ccccc1F 195569667 SXEYQZSAQRBZFA-UHFFFAOYSA-N 453.587 5.236 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc2c(c1)CCC(=O)N2 481655485 HJXVVIJBIYMRLS-MRXNPFEDSA-N 458.493 5.044 30 20 JKED Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n(-c2ccc(C(F)(F)F)cn2)n1 486529201 CWFSGCJFTTYZNG-UHFFFAOYSA-N 463.419 5.511 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(-c4ccccc4)c3)s2)c(C(F)(F)F)c1 487441859 FZFCXWLJLQJOFW-UHFFFAOYSA-N 453.449 5.062 30 20 JKED Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1S(=O)(=O)Nc1cccc(Cl)c1 488433534 INCPCUVWAUISEJ-UHFFFAOYSA-N 483.977 5.384 30 20 JKED CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(C)(C)C#N)cc1 499433212 VSVITMBMHULWCE-IBGZPJMESA-N 464.418 5.285 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 501155806 ZPAVRFCKDBECCB-UHFFFAOYSA-N 490.567 5.021 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)c2)cc1 501448463 HIISMVJSEQSELK-UHFFFAOYSA-N 486.549 5.151 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccoc1C 502729658 VZCNIUSGVYNDER-SFHVURJKSA-N 491.642 5.839 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1 503317889 PMMOUPDQDIJPIV-UHFFFAOYSA-N 495.873 5.783 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 505697893 OIDDFBYDJYPPSM-QFIPXVFZSA-N 479.945 5.454 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1cc(C#N)ccc1OC(C)C 507785389 SAQOEYYNHDHYPE-UHFFFAOYSA-N 453.930 5.092 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)s2)cc1 508544333 LWMNODZYWJNQEL-UHFFFAOYSA-N 483.578 5.405 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1Cl 510007904 XEFBOAQCBGIDLH-REWPJTCUSA-N 473.001 6.974 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1Cl 510023953 OTHNRCNYJHBTLY-HSZRJFAPSA-N 467.960 6.193 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511530989 JFZDUERLMLPGGR-VWLOTQADSA-N 454.530 5.578 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC 512824485 SXABJOXKGPIOCP-UHFFFAOYSA-N 464.493 5.613 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513875249 YEAZYMPRGRPVJG-UHFFFAOYSA-N 482.559 5.746 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 513954075 XRASLDZSZUKLJB-UHFFFAOYSA-N 489.601 6.075 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)c1 515449619 XAGMJWMJOGJJBH-UHFFFAOYSA-N 462.465 5.107 30 20 JKED C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F)c1ccc(C#N)cc1 516836987 MKEHJSWJCXZWRJ-OYHNWAKOSA-N 452.327 5.610 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)nnn1-c1ccc(OC(C)C)cc1 518235485 UZWLHVCDLZHZSD-UHFFFAOYSA-N 467.529 5.066 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CCCCC1 518676495 DTRCOVXKZGABFO-QGZVFWFLSA-N 455.546 5.515 30 20 JKED Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cn2)c1 518893695 RFLCTBCQKPPUNI-UHFFFAOYSA-N 496.527 5.106 30 20 JKED CCOc1c(Br)cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1OC 519485342 UWCDGMPYODXFSI-CQSZACIVSA-N 458.139 5.158 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 521081784 VLHUPHAPPWBXJW-UHFFFAOYSA-N 458.518 5.053 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 521476935 HUKGCRMJLDMYOZ-UHFFFAOYSA-N 453.542 5.030 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 521739680 YUJFBIUPEQWUOK-GOSISDBHSA-N 481.927 5.667 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 522433625 ARTIEKJLSCYDCD-MHZLTWQESA-N 471.532 5.332 30 20 JKED C=CCc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1OC 523063087 HYKLLFQPCUUPMR-HXUWFJFHSA-N 477.388 5.373 30 20 JKED C=CCn1c(SCC(=O)c2sccc2Br)nnc1-c1ccc(Br)cc1 582442007 ALPXBNIITHGTDN-UHFFFAOYSA-N 499.253 5.693 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3cccc(COCc4ccco4)c3)s2)cc1 603649054 RVWRCKJLAQUKML-UHFFFAOYSA-N 458.543 5.237 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)c(C)c1 603775105 XKAJTHPUSCNVRR-UHFFFAOYSA-N 459.600 5.789 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(F)cc1 604088120 CCZMONCMHMJSFI-QHCPKHFHSA-N 475.911 5.788 30 20 JKED CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)CC1 604119810 NPNNJLCRKMUQEO-UHFFFAOYSA-N 453.542 5.262 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 604132205 PHHXXOUMKFQKCR-CQSZACIVSA-N 487.865 5.839 30 20 JKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 604406911 QPYBIIVYTFSPDS-UHFFFAOYSA-N 491.523 5.026 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(I)c1 609062683 VPQNWZMNKSGSNX-UHFFFAOYSA-N 468.294 5.303 30 20 JKED COc1ccc2c(C)cc3nnc(SCC(=O)Nc4ccccc4S[C@H](C)CC#N)n3c2c1 609369823 LXXSUIIXRWNTNN-MRXNPFEDSA-N 477.615 5.325 30 20 JKED COc1cccc(/C=C(/CC(=O)Nc2ccccc2SC[C@H](C)C#N)c2nc3ccccc3s2)c1 609377461 VUHGDNSWMDEYMV-BWCLHNGZSA-N 499.661 7.126 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 609378342 FSTQZJKYGNIECB-GOSISDBHSA-N 463.481 5.081 30 20 JKED COc1ccc(OC)c(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 609387170 RBLVAEDHILDVFL-ZDUSSCGKSA-N 453.486 5.167 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)CC1 609429358 DQMPZZKHBWXUOB-UHFFFAOYSA-N 491.507 5.091 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1 609430226 DANURHBXPIGREO-GOSISDBHSA-N 465.600 5.442 30 20 JKED C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1[C@H]1COc2ccccc2O1 612653222 WYOMQSGRMACBGP-HXUWFJFHSA-N 466.950 5.577 30 20 JKED O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622379352 QLBFQZXWQJPHLK-UHFFFAOYSA-N 497.789 5.314 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 622937263 YWTJTEBLROLJAP-MXSMSXNCSA-N 470.429 5.426 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 643160512 RCVKEBSYYKXXRG-KBPBESRZSA-N 465.413 5.196 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)c1ccc(NC(C)=O)cc1 645079315 AFLIYJZUTNVKLV-HNNXBMFYSA-N 470.982 5.018 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1cnn(CC)c1 726119193 TVDUIPTWOAYXCM-HXUWFJFHSA-N 492.045 5.024 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 726320318 WTAFEOLOYBOOIV-UBVWURDFSA-N 487.600 5.382 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc(C)nc21 726320502 YMPAGSCCLOJOML-WIYYLYMNSA-N 467.529 5.464 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1 726414960 GRLLAQZQOUCNRZ-FQEVSTJZSA-N 491.535 5.615 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(C(C)(C)C)cc1 726570587 GXYCBAMFNHTRAD-UHFFFAOYSA-O 477.053 6.682 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNC(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cs1 727061879 OCAHNDJXJQXWDS-CYBMUJFWSA-N 492.457 5.694 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccc(C)cc2)c1C 727252937 UOXKYHXZXDCWBH-DEOSSOPVSA-N 489.645 5.297 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4nc5ccccc5s4)CC3)n2)cc1 727632774 SXWPOOBNQRWDPP-IBGZPJMESA-N 469.595 5.384 30 20 JKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2ccc(OC)c(OCCCC#N)c2)CC3)cc1 727780845 UTWVBGQKELOZLE-XDJHFCHBSA-N 460.555 5.722 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc(Br)c1OCC(=O)N(C)C 728158497 QCAVGICKAWAVSO-VMPITWQZSA-N 484.749 5.003 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 728780286 PSOCRWOHDKWOJU-IBGZPJMESA-N 493.391 5.787 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1=S 728909859 PSDYYSMHRPJVLY-UHFFFAOYSA-N 493.036 5.808 30 20 JKED CC(C)n1c2ccccc2n2c(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)nnc12 729236433 JCEBXBHPYYMCIG-HNNXBMFYSA-N 478.647 5.586 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1 730724321 NAXASINYXHLGLV-QFIPXVFZSA-N 474.517 5.127 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 730899716 WRYQAJGHEBPJCO-QHCPKHFHSA-N 469.463 5.206 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1 731312667 QJSDKYTZUNQEAB-QFIPXVFZSA-N 495.626 5.401 30 20 JKED COc1ccc(Cc2nnc(S)n2N=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 744746708 FUCMUOUWJAOLKF-UHFFFAOYSA-N 469.364 5.071 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(OC(F)F)c(OC)c1)C(=O)c1ccccc1 747150303 NXDZNQJXEQLRDB-JWGURIENSA-N 479.523 6.326 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3c(Cl)ccc(Cl)c3C2=O)cs1 748584351 REAPGJSFFQDJRE-XYOKQWHBSA-N 479.772 6.447 30 20 JKED COc1ccccc1/C=C(\C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 827607880 DWLBHNFSJGXONO-BZSPEZQHSA-N 472.516 5.253 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 837540204 UDGDHSRWFVESHV-VFNWGFHPSA-N 482.968 5.596 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCN(C(C)C)CC3)C2=O)cc1 838235518 RSBMEYVVJZAEFW-DEOSSOPVSA-N 496.652 5.276 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CCCC2)C1=O)Nc1ccc(F)cc1F 838585817 WURGWNKKHVHAFC-IBGZPJMESA-N 465.472 5.146 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1=Cc2ccccc2O[C@@H]1C(F)(F)F 883977550 MVORNLPRXMPZKV-HFAKWTLXSA-N 461.324 5.419 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2COCC)c1 914606638 HWLJCXNIXGIMIY-UHFFFAOYSA-N 499.032 5.188 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(OCCN2CCCC2)cc1 914692033 LAXUCOCTBFEQMM-UHFFFAOYSA-N 493.032 5.444 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1 915086860 XQYYAIOMPGNRJT-URXFXBBRSA-N 478.379 5.892 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 915088685 UVLBMGCEKXDRCH-WUFINQPMSA-N 459.549 5.842 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc(I)cc2)cc1 915199630 IFOLLRJCPYFOJI-QFIPXVFZSA-N 494.332 5.548 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915353236 MJGZUWAXXYVCLK-PKTZIBPZSA-N 492.373 5.530 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc1OC 915356644 QJIQVSLQFFPDEE-QINSGFPZSA-N 457.530 5.864 30 20 JKED N#CC(CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)(c1ccccc1)c1ccccc1 915569619 ZVYIHRHNTVGWBH-QFIPXVFZSA-N 485.559 5.513 30 20 JKED N#CCCn1cc(/C=C/C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c(-c2ccccc2)n1 916128173 SUUFJFSWMPLNEH-SAPNQHFASA-N 476.536 5.377 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccco3)C2=O)c1 916216078 OOTLXHXHVZHPMG-JOCHJYFZSA-N 463.559 5.066 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)c(Cl)c1 916217055 CUVGGILQSIQICM-HXUWFJFHSA-N 494.444 5.607 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(C[C@@H]2CCCO2)C1=O 916217652 UACBVUXODPBTQR-NZQKXSOJSA-N 495.645 5.232 30 20 JKED CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 916686199 AZFWBJKPUVJGCQ-UHFFFAOYSA-N 456.590 5.842 30 20 JKED CCCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916846488 WUNUHPRUJZZETR-IBGZPJMESA-N 461.587 5.458 30 20 JKED Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)sc21 916847881 XICKQUNCZLJJDY-HNNXBMFYSA-N 458.568 5.472 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@@H](C#N)c3ccc4ccccc4n3)[C@H]2c2cccs2)cc1 916849029 RJCRYZPLBMMKQB-WOVHNISZSA-N 451.551 5.575 30 20 JKED N#C[C@H](C(=O)CCSc1nc2ccccc2s1)C(=O)Nc1ccccc1Oc1ccccc1 916907551 JKSYIFGIAYKRAH-GOSISDBHSA-N 473.579 5.918 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1Cl 916938896 OUUOHZFLECHHTN-OAHLLOKOSA-N 460.342 5.395 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977164 LOWXHGUYWAEYEB-XZOQPEGZSA-N 485.996 6.201 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2c(C)cccc2C)n1 917658821 QNHRPZSHRZYVDP-QFIPXVFZSA-N 476.577 5.306 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2c(C)cccc2C)n1 917658841 SKEXBUPJQKYXQU-QFIPXVFZSA-N 458.587 5.167 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc([N+](=O)[O-])cc2)c1 917669117 NZKWAQBGWOJVHM-JOCHJYFZSA-N 492.532 5.203 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)cc1 917797519 CQCOBPJLACZREM-LBNVMWSVSA-N 497.595 5.042 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 918391776 MRTYWSGDUJLHOZ-UHFFFAOYSA-N 459.525 5.265 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918466053 XNPCXLUWWNHBBL-OAQYLSRUSA-N 466.368 5.636 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)n(Cc2ccco2)c1C 919205806 XLNSOZWIMYALCP-UHFFFAOYSA-N 485.327 5.202 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 920106351 NWJOXLSDEIWGTK-LJQANCHMSA-N 472.957 6.044 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccnc(OCc2ccccc2)c1 920109921 WMCNVHAOVPJFIX-QHCPKHFHSA-N 463.493 5.414 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2C)no1 920353738 RGFFPGULJNKLRE-XMMPIXPASA-N 484.581 5.605 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)[C@@H](C)Oc2ccccc2C#N)cs1 920520369 SDWSPDQBKIBJKI-CQSZACIVSA-N 489.475 5.229 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc(-c2c(F)cccc2F)cs1 920804559 VKXHSWZOCVMNJD-OAHLLOKOSA-N 455.486 5.770 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(COc3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 920855090 XJLAOPQGIHIQHB-UHFFFAOYSA-N 467.485 5.203 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@](C)(CC(C)C)c1cccc(Br)c1 1543825410 OVRBYKPCAZLYJM-QHCPKHFHSA-N 458.400 5.049 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1785843443 LLRZIQPNDNZAAV-UHFFFAOYSA-N 481.637 5.290 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCc5ccoc5C4)cc3)CCC2)c1 1786218305 WBVKRMZRTSNWPL-WMZHIEFXSA-N 467.569 5.459 30 20 JKED CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)C1CCCCC1 1786324794 AHBXZGGPLLHGDN-HSZRJFAPSA-N 496.652 5.288 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cn3)cc2)CCC1 1786876498 POIWGWNDZGVNKW-KRWDZBQOSA-N 459.512 5.379 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)c1 1787889219 OPHMRPNMLGVESO-UHFFFAOYSA-N 480.540 5.224 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3OC(C)(C)CC4)cc2)CCC1 1788496685 RPURTOJEVZXDES-IBGZPJMESA-N 477.605 5.339 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(C2(NC(=O)[C@@H](S)C(C)C)CCC2)cc1 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C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792334367 LZEJTARJVFEJBZ-ZNEWLNCYSA-N 493.648 5.287 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCC1)C2 1792572855 XZBARZCQJWCQFX-KAOXLYBCSA-N 489.701 5.091 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1Br)C2 1798594415 HFDILUCKAOVXOA-JLYJBUFASA-N 459.428 5.093 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799146828 KJIRZKKMFLWPJS-WKCHPHFGSA-N 477.630 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1803077840 NAJOBJXFPKDRPB-TZIWHRDSSA-N 475.511 5.090 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)C1CCC(c2ccc(Cl)cc2)CC1 1803221564 JITAPDDYVKORTD-VCCQQEBNSA-N 490.047 5.128 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)cc2C(F)(F)F)C3)c1 1803682808 OWMCWEYFKRUKGS-GAZPGATBSA-N 489.925 5.551 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)cc2F)c1 1803849533 JFLYSVIJWMBEMN-PPRPKMEESA-N 473.470 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Br)cc3F)C2)CC1 1805120725 WUMWINOYBGMBRV-UHFFFAOYSA-N 477.418 5.201 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1810173949 JLBKJYJNDWOPIR-IMSXRSKXSA-N 451.998 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810176034 YQOHKFWZHOILRG-BFLUCZKCSA-N 477.674 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(F)F)cc2F)[C@@H]1c1cccnc1 1810504829 HUBNKSQYCISFJC-XMSQKQJNSA-N 489.538 5.134 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1)C(F)(F)F 1812683517 POAOVVBWGLIVMP-RXVVDRJESA-N 473.520 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)n[nH]1 1815157026 OZAADHVYBUIVKB-QZNHQXDQSA-N 464.610 5.207 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)C(C)(F)F)n[nH]2)c1 1815338823 QLDIBYCBVKQHGQ-BEFAXECRSA-N 457.525 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(OC)cc2Cl)n[nH]1 1815697499 SCXRNJYZMXFIGD-KNQAVFIVSA-N 471.001 5.075 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(F)c2)[nH]n1 1818117537 WTKONESQMPSRLB-GFOMBABLSA-N 486.956 5.009 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccccc4o3)n[nH]2)cc1C#N 1818633942 PFZWTOHLJQIBOR-JOCHJYFZSA-N 497.555 5.434 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1818797582 GSDMAICMRRXFQF-DEOSSOPVSA-N 487.629 5.007 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cc[nH]n3)n3ccccc23)n[nH]1 1818973313 UXASFNFMPZDXFE-HSZRJFAPSA-N 499.619 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1819306194 ZLGBFCZFXHQVOG-JTSKRJEESA-N 477.996 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)c(OC)c(C)c2)[nH]n1 1819309105 MPRRBVIBANBBMO-IFMALSPDSA-N 450.583 5.109 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1819394186 RGOMDPWNMRFZFG-GTPWMTBTSA-N 499.040 5.055 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1819480860 GSKNKMBDTRICAG-MSHUQIKOSA-N 495.539 5.327 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1)c1ccccc1 1819518767 DBZKQCDTHSZJNG-WMZHIEFXSA-N 485.613 5.456 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)[nH]n2)cc1 1821179736 AKHTYDCKTSATAC-JOCHJYFZSA-N 486.963 5.230 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821612098 WHJLAKWQUWLNLF-JOCHJYFZSA-N 454.530 5.419 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1)C(F)(F)F 1821992869 MPHQMYUTKBSZII-LJQANCHMSA-N 487.457 5.035 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1822392657 XNRODGAXRBPKLO-OAQYLSRUSA-N 469.545 5.260 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)[nH]n1 1822401263 HZAPGDZKZLNPOA-HSZRJFAPSA-N 493.558 5.206 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)[nH]n2)c1 1823215306 PWGRNRPVFCPFPW-UZUQRXQVSA-N 466.545 5.138 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216309 GWXCPZHHZWNZPZ-HTAPYJJXSA-N 475.980 5.618 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1823889936 HNSKJSKXBQCHAF-OAQYLSRUSA-N 476.448 5.194 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1823895771 GLMGFXVDXJQGJF-SANMLTNESA-N 491.607 5.340 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c1 1824053278 NWFWILZPZGICOY-VWLOTQADSA-N 486.641 5.034 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824139982 UVOUKWXBHVMBSV-VWLOTQADSA-N 482.665 5.025 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 1824239726 USYDJEPAABCUCJ-FCBCXNLDSA-N 470.604 5.456 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1824507915 FOIZCXJSNMXJOE-KCWPFWIISA-N 499.655 5.431 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)n1 1825384691 RUIZHJMMKOKJTL-NRFANRHFSA-N 485.053 5.339 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C#Cc3ccccc3)CC2)oc2ccccc12 1826525356 XUXDHUWGJAYSIG-VWLOTQADSA-N 454.570 5.026 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(OCC(C)C)c2)CC1 1827701434 QBPXSVAPLSKEKM-DQEYMECFSA-N 467.654 5.118 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1)C(F)(F)F 1827792817 IOKPWMGCWRIVLS-QFIPXVFZSA-N 471.523 5.100 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)cc1 1828129913 KUUZLCWHPDZVPC-DEOSSOPVSA-N 486.641 5.034 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1828169427 MFRXOOFWXOJVIV-VGSWGCGISA-N 486.454 5.376 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1828400133 FUBYERRIRGAYEK-BDTNDASRSA-N 464.984 5.275 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1828422823 VWNWFSUOBHHFGH-CJFMBICVSA-N 488.619 5.021 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1 1828669348 ZUYAAXNXPZXRBS-QFIPXVFZSA-N 453.652 5.522 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1828823137 QDUMSLDULKKILH-CLJLJLNGSA-N 480.649 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1828823846 HGUAHVMCRQOQQA-IZLXSDGUSA-N 494.676 5.436 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccco3)no2)CC1)c1ccccc1 1829032328 HOYAGHUAKMSUIL-AZGAKELHSA-N 499.611 5.365 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1 1829750449 YHIXLDYBMIVHJX-LYZGTLIUSA-N 495.627 5.251 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829939749 QMTLMXMDERYHCC-HSZRJFAPSA-N 487.497 5.263 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)c[nH]2)cc1 1829953756 LQQCCKFXROJVRP-NDEPHWFRSA-N 480.612 5.409 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)c1 1830687414 VCSRFRGTBCYYBL-DEOSSOPVSA-N 494.433 5.176 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)ccc1F 1830723302 ZZVUQVZEZBCSFU-XMMPIXPASA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)c(Cl)c1 1830724013 QWHXHELYXRXAJW-RUZDIDTESA-N 492.019 5.084 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830826826 RQPCNGNJIJSKID-XZOQPEGZSA-N 474.070 5.076 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830995645 YPLGEYAGYBZFJK-FQEVSTJZSA-N 463.956 5.266 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1831221984 JTTDFOVYJOLJDT-ZCYQVOJMSA-N 476.020 5.175 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1C#N 1832704794 VGLAKGDGGMUENK-RUZDIDTESA-N 495.570 5.171 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)CC1 1837317120 WROWMJAFROLACF-AREMUKBSSA-N 493.623 5.201 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)C4(c5ccccc5)CCC4)CC3)CC2)c1 1838783124 UPCSMRXKEVKVSJ-QHCPKHFHSA-N 499.655 5.048 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](c2ccc(OCc3ccccc3)cc2)C(C)C)C1 1847227728 LIWIRHFCEJTSNK-KCHLEUMXSA-N 472.629 5.173 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174067 XIBKUYJFYUOGEW-UHFFFAOYSA-O 490.483 5.394 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2cccc(Br)c2)cc1 11084832 GLCINSCAXUFMBE-UHFFFAOYSA-O 496.494 6.647 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 11126670 FWQMXAJJWMEIBC-UHFFFAOYSA-O 470.662 6.431 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11264167 YUCWGICDQQMBKS-UHFFFAOYSA-O 492.665 5.832 30 20 JKED O=C(Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)c1ccccc1SCc1cccs1 15719205 XLLBTEUXTRUGCW-UHFFFAOYSA-N 499.683 5.544 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccoc1C 21140640 AHDSMCNSLAQROJ-GOSISDBHSA-N 451.596 5.142 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nc2cc(Cl)ccc2c1=O 21831866 KRCBBGYILNYNQQ-LSDHHAIUSA-N 467.978 5.340 30 20 JKED Cc1cccc(-n2c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2c[nH]c3ccccc23)c1 22117257 WHTPLRZUKPNISJ-WXTAPIANSA-N 472.618 5.259 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nnc1-c1ccoc1C 24853018 WDNKQVMLEPARJC-UHFFFAOYSA-N 469.567 5.605 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccc(F)cc3)o2)cc1 24876183 FSYSTCCTKLXQHV-UHFFFAOYSA-N 461.522 5.194 30 20 JKED CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 25742063 QRPIXNDPJJZMPV-JOCHJYFZSA-N 482.005 5.781 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 30058855 XWTNWSCRRAWNJG-UHFFFAOYSA-N 467.550 5.303 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(Cl)ccc2Cl)=C(\S)Nc2cccc3ccccc23)c1 33759215 ILCRRNPNDGGCLI-UHFFFAOYSA-O 466.413 6.793 30 20 JKED COc1cccc(NCc2nnc(SCCOc3cccc(C#N)c3)n2C2CCCCC2)c1 71961153 FEJGZVURIJYXPL-UHFFFAOYSA-N 463.607 5.447 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 72055961 RPMPTJFXWLTHKW-QFIPXVFZSA-N 457.343 5.067 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 108372826 RBBCFJIHROANET-UHFFFAOYSA-N 473.985 6.290 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2nc3ccccc3s2)CC1 303190830 MJLLCFOTLJSXJM-UHFFFAOYSA-N 482.609 6.467 30 20 JKED C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(C#N)cc1 480319030 PUKBPFLAYWYGEN-KRWDZBQOSA-N 458.949 5.574 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 487113259 WOXNSZLNSFPLGT-BWKNWUBXSA-N 487.003 6.187 30 20 JKED Cc1nn(C)c2sc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc12 487293989 SBJRIFOGOZOUNG-UHFFFAOYSA-N 461.494 5.133 30 20 JKED CCCOc1c(Br)cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OC 487294989 VNOGPCQYPJONIA-UHFFFAOYSA-N 486.391 5.418 30 20 JKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487322738 MPAFYLXMUINAFM-UHFFFAOYSA-N 488.516 5.831 30 20 JKED Cc1noc(CSc2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)n1 488027960 KACSWIGLPCOFCK-UHFFFAOYSA-N 472.545 5.524 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 495127193 LHEMXYROACJRSM-NRFANRHFSA-N 460.603 5.754 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 501165041 VDDHWIFOEPGRKI-FQEVSTJZSA-N 475.589 5.608 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nc2ccccc2c1=O 502727675 SAWCDHYTQUHIHJ-GOSISDBHSA-N 488.638 5.389 30 20 JKED CCOc1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C(C)C)cc1 509228431 XDWKCEDAZLPSEK-UHFFFAOYSA-N 457.574 6.173 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510022478 DWDSONCYNJTAEV-VWLOTQADSA-N 487.987 6.131 30 20 JKED N#C[C@@H](C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc(-c2ccccc2)cs1 515542980 BEKNRRAMFPQDNX-QFIPXVFZSA-N 458.564 5.274 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)cc1 516798939 OTDQZNBDPIBLQG-UHFFFAOYSA-N 473.492 5.731 30 20 JKED CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 517484133 JTIXFFHEEVGLLO-SFHVURJKSA-N 487.387 5.467 30 20 JKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518673244 VPAIMAZSWUQLMS-LBPRGKRZSA-N 471.451 5.147 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc1 518751475 VFVLQJADXLGYHA-FQEVSTJZSA-N 491.657 5.339 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)cc2)c1 518754056 APGYEGBJHIZKOU-UHFFFAOYSA-N 455.518 5.169 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCc1nnc(-c2ccccc2)o1 519433840 FDWJYNQGEKNEKC-UHFFFAOYSA-N 460.481 5.723 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccc(Cl)cc1 521264827 OVFSNQRDDQTEKF-OAHLLOKOSA-N 454.889 5.726 30 20 JKED COc1cc(C(=O)Nc2ccccc2SCCC#N)ccc1OCc1ccc(Cl)cc1 521716280 NHXNPPUEZALGHB-UHFFFAOYSA-N 452.963 6.186 30 20 JKED C=CCN(C(=O)Nc1cccc(COC2CCCCC2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 521808751 LPYQVZFDMDFBJK-HXUWFJFHSA-N 460.582 5.293 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 523375137 GGSBWMAGOWNZKU-RDJZCZTQSA-N 464.381 5.800 30 20 JKED CC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc2c(c1)OCCO2 523902721 QAQIWIJAGVILRY-DEOSSOPVSA-N 459.521 5.332 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1Cl 552419588 XMQLQPVZZCVCAA-OAQYLSRUSA-N 460.917 5.368 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(Cc2c(F)cccc2Cl)o1 589276635 DLFAQZNWIHKHTP-ZDUSSCGKSA-N 451.976 5.210 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1nc(C(F)F)nc2ccccc12 595527103 KYZYXBHZMVMFSK-UHFFFAOYSA-N 459.909 5.729 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 601620284 NNHRCEOJUFFUSL-UHFFFAOYSA-N 483.033 5.630 30 20 JKED C[C@@H](SCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1nc2ccccc2[nH]1 603449249 HWZIQMHITZDQEC-CYBMUJFWSA-N 466.617 5.011 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 603754876 GNRCNRQEJCPXPR-UHFFFAOYSA-N 476.374 5.684 30 20 JKED N#CCCN(C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2)c1cccc(Cl)c1 603818354 COMHRHDEEVQCSA-UHFFFAOYSA-N 462.962 5.394 30 20 JKED CC(C)(C)CC(=O)N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 603829112 XRHFAKNEGCHUES-NRFANRHFSA-N 452.986 5.108 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)n2)cc1 603991911 GPWGQCMHVSNECI-UHFFFAOYSA-N 470.554 5.405 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 604317387 ZHTRGMLLVVDJIC-HSZRJFAPSA-N 463.578 5.326 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)cn2)cc1 604510005 ZUMDWBNPPDYYKD-UHFFFAOYSA-N 487.523 5.315 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)c1 608808270 YIEGTGASIAKLJW-VWLOTQADSA-N 450.494 5.651 30 20 JKED COc1ccc(Oc2ccc(Cl)cc2NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 608992602 DDJOSQJIMKZHHZ-UHFFFAOYSA-N 477.952 5.198 30 20 JKED Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 608995096 ZWAOGGKHJDWNKP-UHFFFAOYSA-N 468.582 6.085 30 20 JKED Cn1ccnc1SCc1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 609174181 HFCMWSFKJBMBAE-RUZDIDTESA-N 468.582 5.286 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Br)cc3Br)CC2)c1 609204924 BVWPJUCHCURVRU-UHFFFAOYSA-N 479.172 5.159 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n1 609256511 BUJOEVOGPDQGGU-QMMMGPOBSA-N 459.763 5.985 30 20 JKED Cc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c3c2CCC3)c(F)c1 609326825 INNRZGSAZHCNBQ-UHFFFAOYSA-N 453.477 5.120 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 609435417 NROHXXIEARVAML-OXQOHEQNSA-N 490.551 5.585 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613319874 OGTLREFEYQUXNE-SFHVURJKSA-N 477.998 6.292 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)s2)cc1 613405281 WPHZOWYVJSNEGQ-OAHLLOKOSA-N 473.501 6.246 30 20 JKED CC(C)Cn1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc2c1=O 613405292 WYXOCQKSWNZKEP-MRXNPFEDSA-N 470.476 5.171 30 20 JKED O=C(c1csc(C(F)(F)F)n1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517142 ALJSIOXSNFXLLR-LBPRGKRZSA-N 478.336 5.413 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)cc1 725713540 IKOKTLLMYDFGHQ-UHFFFAOYSA-N 473.579 5.298 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NC23CC4CC(CC(C4)C2)C3)[n+]2ccccc2)C=C1 725762033 MFFHJEYFXJRNKC-UHFFFAOYSA-O 476.666 5.150 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccc2)cn1 726118199 JXPFDVUYGSQSJU-XMMPIXPASA-N 483.597 5.217 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 726322393 SUSRJCKGBALIQY-WMMVJALOSA-N 498.608 6.216 30 20 JKED Cc1nc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)nc2ccccc12 726403165 ZFOBHNROESWRKS-HSZRJFAPSA-N 499.571 5.238 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/[C@@H](C)c1cccs1 726420255 HYXPSYXJALCFFW-MQOBRAJVSA-N 473.664 5.180 30 20 JKED Cc1nc(/C=C/c2csc(-c3ccccn3)n2)sc1C(=O)/C=C/c1csc(-c2ccccn2)n1 726848995 VYKSBYJQCYBHRM-GFULKKFKSA-N 499.646 6.555 30 20 JKED Cc1sc(NC(=O)C(C)C)c(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c1C 727529934 WXVZXXKVYMSYIF-UHFFFAOYSA-N 484.622 5.160 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c12 727920730 ZBHLQDWAPFNGCT-ZDUSSCGKSA-N 490.541 5.212 30 20 JKED CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 727987489 MEURGDYYUVQMOV-KQCYKBMJSA-N 453.995 5.192 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(N4CCCC4=O)cc3)cc2Cl)c1 728122108 YLYWESWLDALDSX-UHFFFAOYSA-N 474.948 5.239 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729144590 DUJRFDCGCXAEKL-QFIPXVFZSA-N 488.638 5.210 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 729146063 OPWWLMBQKGEPRF-QFIPXVFZSA-N 486.622 5.765 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)cc1F 730536105 LTYPNHCMMGMPFJ-JOCHJYFZSA-N 498.530 5.010 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc(Br)cc2F)cc1 731105369 HSPSFQONXVJTTM-UHFFFAOYSA-N 482.353 5.597 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccncc2)n(-c2ccccc2C)c1=S 745161719 AHUJSXMTPQJHBY-UHFFFAOYSA-N 452.587 5.291 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 745313811 XOQBUDGZOZNSPX-IERDGZPVSA-N 452.963 5.629 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747601068 DGXOAKBKCJQYCS-JOCHJYFZSA-N 490.585 5.596 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 750705575 NXVOCUPKNMIDEK-KRWDZBQOSA-N 472.501 5.198 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 760223255 IISYLEYEFOCXRB-UHFFFAOYSA-N 458.584 5.007 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)c(Cl)c1 799213981 CARFHPQSSLRNAM-SFHVURJKSA-N 464.349 5.034 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](C)c2cccnc2)C1=O 837517822 MKMWPZDTTAHIKU-VGSWGCGISA-N 479.005 5.765 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](C)c2ccccn2)C1=O 837781096 CRYDTHYEFYDCJR-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C)c(C)s2)c1 884220163 IGFGKSSJRJERIM-UHFFFAOYSA-N 492.022 5.056 30 20 JKED N#Cc1cc(-c2nc(-c3cc(Br)cc(Br)c3)no2)cnc1C(F)(F)F 904915148 HEAOTMIXWYSZDA-UHFFFAOYSA-N 474.034 5.214 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cccc(F)c3)C2=O)cc1 914772956 RUYMWBYGMBOMAY-HSZRJFAPSA-N 493.535 5.328 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1 915087001 ZDGBYXCAYALHCZ-FPOVZHCZSA-N 474.358 5.096 30 20 JKED N#C[C@@H](C(=O)CCCn1c(=O)oc2ccccc21)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102726 FUWDPPQOFGZVNR-BVJYIKDUSA-N 461.587 5.175 30 20 JKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104173 MOEYKTGTKYEPBT-HZMBPMFUSA-N 451.451 5.580 30 20 JKED CSCC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nnc2ccccn12 915353507 UYPAHMWRKXPTOC-FCHUYYIVSA-N 456.575 5.001 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 915446230 BSEZVXBDCWVSEO-UHFFFAOYSA-N 465.600 5.040 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cc(F)c(Cl)cc1Cl 915723609 UKAKERXDMJEUQP-IFXJQAMLSA-N 470.331 5.604 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3nc(Cl)ccc3Cl)s2)c(C(F)(F)F)c1 916056800 YOOFVDGFRNSQQK-UHFFFAOYSA-N 457.264 5.578 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(CC)cc2)N(C[C@H]2CCCO2)C1=O 916215516 XCZMHLODKLDPFD-QPPBQGQZSA-N 495.645 5.177 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccccc3)C2=O)c1 916216571 WVIRTSOGBCGRTR-XMMPIXPASA-N 489.597 5.173 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(C[C@@H]3CCCO3)C2=O)c1 916217163 GUMZGDWXBJVPCO-RBBKRZOGSA-N 465.619 5.060 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc(O)c2c3c(sc2n1)CCCC3 916847143 MJYPUZYOKCHBCJ-FPISAVPCSA-N 492.025 6.547 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 916882295 ACRYLRCQEJBRMS-KRWDZBQOSA-N 460.342 5.299 30 20 JKED N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916895155 GBWBADVKMKJCMT-FQEVSTJZSA-N 458.345 5.017 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1 916946451 UUVKTBBHIKURTM-QGZVFWFLSA-N 465.358 5.023 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccc(C)c1 916976911 WQZNNCRBQPGLFL-IBGZPJMESA-N 494.045 6.019 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C(C)C)cc2)n1 917667461 UDWTZLNTLMMEDU-HSZRJFAPSA-N 473.602 5.069 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2Cl)cc1 917676336 QUXXVWKATHSOEU-QFIPXVFZSA-N 492.963 5.511 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCN(CC3CC3)CC2)C1=O)Nc1ccccc1 917678778 JNYPDZGVENFIAO-HSZRJFAPSA-N 497.064 5.175 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2[N+](=O)[O-])cc1 917683017 PLPUGEQDOZMSCJ-QFIPXVFZSA-N 474.542 5.064 30 20 JKED COc1ccc(N2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 918037139 JQKWGZPEVXUGDX-VWLOTQADSA-N 474.992 5.748 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1csc(-c2cc(Br)cs2)n1 919631703 NMQVKAZARDKMBZ-GFCCVEGCSA-N 497.461 5.456 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 920108936 LIWAUHJLSJQEEJ-BLLLJJGKSA-N 452.860 5.517 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cc(C)on3)C2=O)cc1 920353740 RGMOXWKRHFGIIA-QHCPKHFHSA-N 492.601 5.241 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3c(C)noc3C)C2=O)c1 920354293 AIRUDEZJSWIVBH-JOCHJYFZSA-N 498.555 5.347 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 921133252 VNBYPWNCUWHFEJ-MRXNPFEDSA-N 493.997 6.587 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2SCc2cc(C)no2)cc1 927548460 QQPAUXIBPRSVDO-LJQANCHMSA-N 463.559 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)C1 1781457614 DOEXBVWUDZYTDG-IRPSRAIASA-N 496.598 5.321 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)C2)C1 1782092290 RQXGWVJJBIITOM-VWLOTQADSA-N 497.463 5.217 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)CCc3nc(-c4cccc(Cl)c4)no3)CCC2)cc1 1785934180 YBRCTGKAHSKQMQ-UHFFFAOYSA-N 491.979 5.006 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCc5ccoc5C4)CCC3)cc2)c1 1786036277 ZMUVBSJUZSYPKE-HSZRJFAPSA-N 467.569 5.023 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccsc3)CCC2)cc1 1786546421 VFWAMOVRVLCUFM-JOCHJYFZSA-N 497.661 5.284 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C(F)(F)F)CCC2)cc1 1786678657 FXIQIKXAEUPLJF-UHFFFAOYSA-N 477.552 5.086 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3occc3NC(=O)OC(C)(C)C)CCC2)cc1 1786679493 MABBHSNJKHPAMT-UHFFFAOYSA-N 485.606 5.294 30 20 JKED Cc1ncccc1CCC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1786745391 VQYMFFJIXFCUNI-UHFFFAOYSA-N 475.709 5.508 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1788030676 ROXLNMBSGIGKQR-UHFFFAOYSA-N 494.595 5.616 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc5cccnc45)cc3)CCC2)c1 1788913496 MQIBVFCQXPMHJU-UHFFFAOYSA-N 464.500 5.307 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5ccc(Br)cc45)cc3)CCC2)CCC1 1789027606 SMXNNRKHBUKSME-UHFFFAOYSA-N 491.389 5.372 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c4ccccc34)cc2)CCC1 1789228462 RQFDMUCVPLMEKQ-UHFFFAOYSA-N 476.374 5.654 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1789493707 AQOVQPTUXABBCU-JOCHJYFZSA-N 466.965 5.407 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ncccc4C(F)(F)F)cc3)CCC2)c1 1789856293 ZKWSOIQDSQSYNW-UHFFFAOYSA-N 482.437 5.173 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)cc2)CCC1 1790006893 GNLYBRUBDSREIE-KRWDZBQOSA-N 470.598 5.296 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)cc2)CCC1 1791033379 NDLATFKBWVTHNX-QHCPKHFHSA-N 481.637 5.008 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3n[nH]c4cc(Cl)ccc34)CCC2)cc1 1791300617 SFBXYYDLLCHUFP-UHFFFAOYSA-N 472.923 5.104 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C(F)(F)F)c3)CCC2)cc1)C(F)(F)F 1791305429 LFIRKAFENPIERR-UHFFFAOYSA-N 485.428 5.286 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791726226 IQQZYBUQDFHIRC-QHCPKHFHSA-N 481.637 5.104 30 20 JKED CC(C)c1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)co1 1792123100 IQTFQYVVIMHXOD-GOSISDBHSA-N 456.546 5.487 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)cc3)CCC2)C1 1792342888 YPTLHWKUSIUKED-QHCPKHFHSA-N 483.653 5.368 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3ccc(F)cc3)c1)C2 1798417279 OROWQHSUNCJBLL-BKFWDETESA-N 479.672 5.124 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cc3ccccc3o1)C2 1798419715 BXDDCBLGBZEUMD-AYPWKMIQSA-N 462.666 5.135 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 1800466267 RPDRCLFTXNWXJK-REPLKXPHSA-N 475.898 5.105 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccccc3c1Br)C2 1801643091 BQACBARPTGSJDF-OQIJWPOYSA-N 455.396 5.066 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(Cl)s2)[C@H]1c1cccnc1 1802491526 JJYXOEXQXINWEA-AVRDEDQJSA-N 460.043 5.037 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1803091919 SPTGGFMWCGXFEN-RDGATRHJSA-N 480.678 5.359 30 20 JKED C#CCCCC(=O)N1CCC2(CCCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)CC1 1805625988 BELVIAQJZJOMIJ-UHFFFAOYSA-N 469.069 5.649 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H]1c1cccnc1 1808951469 GCEKHGBVEMFNMD-RNWIMVQKSA-N 476.580 5.193 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CC2)C1 1809512273 ZRPPQDUWWYNGJZ-RUZDIDTESA-N 465.544 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@H]1c1cccnc1 1809689988 RDQUXURFXLBHEB-HOYKHHGWSA-N 480.559 5.153 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1810181676 JMDVPDQVBFULOE-STROYTFGSA-N 459.634 5.222 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C)c3)C2)CC1 1810354407 XUBZCMGFNLTIJC-RUZDIDTESA-N 471.645 5.670 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(F)F)cc2F)[C@H]1c1cccnc1 1811385825 YMOFDXBTDSWEJZ-XMSQKQJNSA-N 489.538 5.134 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1811419615 ILGCAWWAQMFNBO-CNPGNWEMSA-N 487.003 5.038 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811540029 YCSMUKQTCYTMIG-FREGXXQWSA-N 479.624 5.570 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1811941524 GMIVMVKFEBDGKQ-JTHBVZDNSA-N 471.523 5.188 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)[C@H]1c1cccnc1 1813053321 TXIJJNFWPFXFRP-RNAHPLFWSA-N 490.607 5.124 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(OC)c2)[C@@H]1c1cccnc1 1813917866 FZMLOMGTHWANCY-XXBNENTESA-N 470.013 5.056 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813977611 MWUKYQARDMBUHD-SBUREZEXSA-N 492.834 5.555 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2cccc(Cl)c2)[nH]n1 1814439789 CQTSQKOUQFUTCH-HXUWFJFHSA-N 458.990 5.127 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)[nH]n1 1814445223 FNUQHPQLVDBCLZ-ICSRJNTNSA-N 489.661 5.088 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)n[nH]2)c1Cl 1814719502 ORGZCRJUQZKNLR-RZUBCFFCSA-N 491.954 5.183 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1 1815020084 JGGKOWCKHLSPCX-HXUWFJFHSA-N 478.660 5.278 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5ccoc5s4)sc3C2)c1 1816694992 KBRITCPIYWJMPE-CXAGYDPISA-N 476.583 5.117 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccccc3)n[nH]2)c1 1816963809 WPQMJTINGCSTNK-YXYLUEIESA-N 453.546 5.056 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1)c1ccccc1 1819129022 VCUUMDXUNKWOTL-IGKIAQTJSA-N 491.595 5.461 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)[nH]n1 1819302373 DKCCOAMXANQCFV-DYESRHJHSA-N 474.964 5.042 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)[nH]n1 1819305332 RLNWSWHEWJPPNI-HOKHCIIBSA-N 475.637 5.235 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CC=C)C(=C)C)n[nH]1)NC(=O)OC(C)(C)C 1819311129 NAIWYUYFNCXFTM-SJBKTWHCSA-N 499.656 5.030 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)n[nH]1 1820081911 KEBXQDAVSWVSNJ-VWLOTQADSA-N 494.599 5.453 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)c1 1820547441 MHZGDZSKPXSHKS-RUZDIDTESA-N 490.567 5.272 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(F)cc2F)n[nH]1 1821029791 KGKIOLGYPIDDEH-VLIAUNLRSA-N 462.928 5.416 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1F 1821277220 OBWMSTQYVZDTAY-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(CC)CC)n[nH]1 1821753246 BNSQWGZUDYZCSK-QIGHUWCUSA-N 477.653 5.253 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1821984435 WKRLWDVURAFMLX-GOSISDBHSA-N 461.900 5.062 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc(F)cc(OC)c2)n[nH]1 1822269654 FMYAKASJKHZRMO-HRBBJJPOSA-N 466.557 5.031 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)[nH]n1 1822581040 HUJSRAWGZKSTHE-ABYGYWHVSA-N 486.616 5.310 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4c(c3)CCCC4=O)[nH]n2)c1 1823215456 RZQIBZDLUMDRBS-IQGLISFBSA-N 495.583 5.175 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)[nH]n2)c1 1823215931 KTOOVGJZHGKMJH-IECBHUPTSA-N 455.562 5.146 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)c1 1823218264 QHNNCNMGPXJOGM-ZHRRBRCNSA-N 495.505 5.675 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)[nH]n2)cc1C#N 1823293567 CKNSOXKXIFSMHM-FQRUVTKNSA-N 497.546 5.120 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1 1824140639 AIKKQZAEPIYKAL-SANMLTNESA-N 482.665 5.025 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1824243269 POGRUQJSBKJCCU-LMSSTIIKSA-N 489.635 5.299 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccnc(C)c2)CC1)c1ccccc1 1825043881 NTHYGXZXXFKDPJ-FQLXRVMXSA-N 485.672 5.140 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826285377 GNGIHPKZXWNPOH-BJKOFHAPSA-N 489.701 5.046 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827337319 WGLHCQIZTPBSDU-AREMUKBSSA-N 457.618 5.094 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1827715518 WROQIXFEVNSHLX-RUZDIDTESA-N 482.584 5.069 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828150384 PZOLVINQNYTTEO-FGZHOGPDSA-N 462.059 5.009 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)cc1C#N 1828412851 HXUFHAFOQPJNRA-DEOSSOPVSA-N 483.628 5.251 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1829066813 UQENDSIEDFAPMP-HXUWFJFHSA-N 453.549 5.259 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1829698261 IDZHJQHEWARNDR-VWLOTQADSA-N 490.003 5.434 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 1830632466 NDUUCUCWJCAHOE-XMMPIXPASA-N 499.533 5.198 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c(Cl)c1 1830633375 NBBTVSNYQDQDMS-VWLOTQADSA-N 464.009 5.262 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3F)CC2)c(Cl)c1 1830722238 GJKOAUMTENLWDT-HSZRJFAPSA-N 471.935 5.037 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830804346 GBOQILCHIGOEHH-HSZRJFAPSA-N 478.555 5.141 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978715 UVIZCIUCFAPVRA-OZXSUGGESA-N 493.673 5.616 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)CC1 1831059587 INSBWNAHTNQHFG-OAQYLSRUSA-N 472.427 5.048 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cc(Br)ccc3c2)CC1 1831376078 ITOHDFFIBWTBPV-KOSHJBKYSA-N 498.465 5.443 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1831445607 GHRJFSLJPVNUDG-NRFANRHFSA-N 473.589 5.255 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C)c2F)CC1 1832028110 HCTJPANNFJRMMV-QFIPXVFZSA-N 491.445 5.324 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832031854 XJMRLKCQSQUMHD-HSZRJFAPSA-N 462.556 5.441 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cccc1C(F)(F)F 1832704590 MKXAKHAFPBUQCL-XMMPIXPASA-N 483.534 5.433 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)CC1 1838374790 HOXRXTSYPSZOJI-VWLOTQADSA-N 495.639 5.007 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2scc(-c3ccccc3)c2c1=O 9041597 QBXIJZPJEJZEIL-UHFFFAOYSA-N 493.610 5.059 30 20 JKED CCOc1ccc(-n2c(COc3ccc(Br)cc3)nnc2S[C@@H](C)C#N)cc1 9163077 OPBZENIIHFZIKC-AWEZNQCLSA-N 459.369 5.012 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nnc1-c1ccccc1 9334292 IHJBNPPNBZPPCL-UHFFFAOYSA-N 475.643 6.181 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1Cl 9825736 MVYBKSHFFLGIJL-UHFFFAOYSA-N 486.428 5.785 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccc(Cl)cc1Cl 10836223 FCXJJEXACAEYNI-UHFFFAOYSA-O 475.377 5.802 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(C)(C)C)cc1 11153292 GLMXIVWJRYTKOA-UHFFFAOYSA-O 453.578 6.218 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159224 JKBUZVUIKNLWRQ-UHFFFAOYSA-O 461.438 5.850 30 20 JKED C=CCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1-c1ccc(Cl)cc1Cl 14070363 IQOUULKPOMOIMG-UHFFFAOYSA-N 483.402 5.017 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 14907661 OWXWDPGCAJZWHD-OAHLLOKOSA-N 453.420 5.235 30 20 JKED O=C(C[C@@H]1S/C(=N\c2ccc(F)c(Cl)c2)NC1=O)Nc1ccc(SC(F)F)cc1 15231633 LIDDQZPXUSDQBP-AWEZNQCLSA-N 459.902 5.042 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)s2)cc1 15356223 IBVGNNDWVUQUOQ-UHFFFAOYSA-N 467.576 5.146 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 16602005 DJYPVBTWGXVDQE-ZDUSSCGKSA-N 487.375 5.933 30 20 JKED C=CCn1c(SCc2cc(OC)c(OC)cc2Br)nnc1-c1ccccc1OC 20067994 ZTNZZMKOULABTR-UHFFFAOYSA-N 476.396 5.212 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nc2cc(Cl)ccc2c1=O 21831448 YUDOSFZJWNRTOV-CQSZACIVSA-N 462.402 5.625 30 20 JKED CC(C)Cn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2ccc(Cl)cc2c1=O 22054763 MXKHTJWXGBEMOL-CYBMUJFWSA-N 487.050 5.247 30 20 JKED C=CCn1c(SCc2cc(=O)n3ccsc3n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28629818 PWYWNCMRHAAOBK-UHFFFAOYSA-N 496.614 5.120 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32289974 QNNCUTXXRSFFQD-UHFFFAOYSA-N 457.511 5.605 30 20 JKED CCOc1ccc(Oc2ccccc2NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 32673339 CKZIMIRJWMBNPA-UHFFFAOYSA-N 498.539 5.852 30 20 JKED Cc1nc(COc2cccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)cs1 108012666 CGXHTZNQAZDRNT-UHFFFAOYSA-N 471.557 5.884 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 195634930 BCRACMOEDVBFJX-UHFFFAOYSA-N 456.546 5.463 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 302951349 DUDBQTHCIJNKTF-QHCPKHFHSA-N 454.555 6.638 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 409542746 BUTJRXQWADWXLE-QTDGGUCWSA-N 474.634 5.285 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1 477402438 BQYLWAUBLGRWPH-QFIPXVFZSA-N 455.505 5.301 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(NC(=O)C4CCCC4)c3)cc2F)c1 481566560 FVIJJDRRQVQQKP-UHFFFAOYSA-N 486.547 5.727 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2F)c1 481665107 YZQLMPMZVKMPGS-RPBOFIJWSA-N 463.484 5.457 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3cccc4c3OCCO4)cc2F)c1 481689151 UOEDRHCTRQIIOZ-QHCPKHFHSA-N 473.504 5.417 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)c2ccncc2)cc1OCC 488587294 ONJKGHRIUBMKAL-QHCPKHFHSA-N 453.380 5.687 30 20 JKED N#Cc1c(NC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)sc2c1-c1ccccc1CC2 490745441 MHIACFDSPZMMEI-FQEVSTJZSA-N 485.609 5.032 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(OC3CCCCC3)CC2)cc1Cl 497941035 RXCSIJJZTXBRMC-XMMPIXPASA-N 480.008 5.274 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1F 501135226 PZBOCWKMBATNQF-UHFFFAOYSA-N 497.530 5.401 30 20 JKED CC(C)(C)n1ccnc1SCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 503093455 MTRQCDRSLYNSCK-UHFFFAOYSA-N 479.553 5.307 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 505325313 HNXCJAIPZGHOOS-VWLOTQADSA-N 464.525 5.555 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 505621933 ODBQZUGQWKCSAD-UHFFFAOYSA-N 453.498 5.976 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CCC2 509715984 PRXWCPULTBLCNU-BJLUOBIUSA-N 499.611 5.759 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ncnc4sccc34)CC2)cc1Cl 510027099 RXZDGDZNYBXEPD-OAQYLSRUSA-N 489.004 5.354 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510043256 IOGQJBFRHCQZQA-RUZDIDTESA-N 487.003 5.730 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)CC1 511016940 QOJLATHIAXILHT-DEOSSOPVSA-N 490.401 5.051 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511382538 KTFJZESBUAQOEQ-UHFFFAOYSA-N 460.553 5.066 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1 511436792 GQPQIVHYGLFTDH-MHZLTWQESA-N 489.019 5.944 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 511727642 BURNMRBYNDRATR-NRFANRHFSA-N 467.616 5.111 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 512488055 CQRDAMFFYQECIE-HXUWFJFHSA-N 465.563 5.881 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1 512632803 HNNYVLMGGCGANK-UHFFFAOYSA-N 466.472 5.176 30 20 JKED COc1ccc(CN2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1F 512801141 CTWUOCCNLAHQRZ-UHFFFAOYSA-N 474.536 5.156 30 20 JKED Cc1ccc(I)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 513158746 CMYDIKYLMQZPCD-UHFFFAOYSA-N 468.294 5.824 30 20 JKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1nc2ccccc2o1 513362952 FUZZXZFRMWJAGM-CQSZACIVSA-N 458.314 5.200 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1nc2ccccc2s1 513671695 LAHJTTMJMXCFHQ-LJQANCHMSA-N 490.382 5.730 30 20 JKED Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1Cc1ccco1 514960957 AGCYEKPQWUGMRD-RXJRQCNISA-N 477.634 5.306 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(C(C)(C)C)s2)nnc1-c1ccc(Cl)cc1Cl 515726556 CKUGIPUSJDVORT-UHFFFAOYSA-N 483.450 5.318 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1F 515851174 UDEYHDVVWVBVQQ-OAQYLSRUSA-N 474.923 6.064 30 20 JKED Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 517465646 ABHPRFCIJQJXJX-QGZVFWFLSA-N 451.636 5.150 30 20 JKED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C(=O)NC(C)C 517502085 LGRGTRXIUVROSW-UHFFFAOYSA-N 458.537 5.378 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Br)cc1Cl 518656035 AMGNZXIGSVGYBR-CYBMUJFWSA-N 469.857 6.226 30 20 JKED Cc1c([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)oc2ccccc12 518854129 YWFLVDTUBVHKOO-GOSISDBHSA-N 469.566 5.835 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4ccc(C)cc4C)nc3C)n2)cc1 520164857 WLHVRTVVLQOXAQ-HXUWFJFHSA-N 459.596 6.358 30 20 JKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(NC(=O)c2ccccc2)c1 520858182 RGXZOEGKIMTOSS-MOPGFXCFSA-N 458.587 6.073 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 521260062 URARNNFOGJDTEM-GDBMZVCRSA-N 454.596 6.392 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCc1ccccc1Oc1cccc(F)c1 521738375 ONKLZBZKUCGKSF-UHFFFAOYSA-N 496.498 5.240 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 521797989 XFOMRVCQSNHIBP-LJQANCHMSA-N 470.573 6.254 30 20 JKED Cc1ccc(Cn2nc(C)c(CCC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2C)cc1 524572618 JGJSKHZTYUSKPX-JOCHJYFZSA-N 455.389 5.477 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 603738276 BCTFOSTZVIDQRU-UHFFFAOYSA-N 463.921 5.270 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2sc3c(c2C#N)CCCCCC3)CC1 603996699 QTRQNQCRRBKHHA-UHFFFAOYSA-N 475.574 5.254 30 20 JKED COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604027405 XTJIRMNAOHQDMI-UHFFFAOYSA-N 491.960 5.324 30 20 JKED Cc1cccc(C)c1OC[C@H](O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604428807 AZDXCBNKYJJISU-GGAORHGYSA-N 463.965 5.174 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C1CC1)[C@H](C)c1ccc2ccccc2c1 604435014 JWBYDAKHXDPVGX-OAQYLSRUSA-N 458.606 5.330 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc(F)cc4c3OCOC4)cc2Cl)cc1 608841032 IOEXUSFVLCEKNY-UHFFFAOYSA-N 453.857 5.331 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)n1 609046482 FOVRJHYIVCFUAO-UHFFFAOYSA-N 467.529 5.636 30 20 JKED CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2s1 609057909 QPLDCEUZRJSABT-UHFFFAOYSA-N 460.515 5.331 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 609089081 NYVVBFPGSHHYTJ-LSYYVWMOSA-N 497.595 5.011 30 20 JKED CCN(Cc1ccc2ccccc2c1)C(=O)c1cn(CCC#N)nc1-c1ccc(OC)c([N+](=O)[O-])c1 609231585 CGAMBHCIXBQRKT-UHFFFAOYSA-N 483.528 5.196 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 609435064 NOWJIQYHHLKTOQ-QGZVFWFLSA-N 455.580 5.173 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCOCC2)cc1 609435321 GRXPSTDAQSLLKW-IBGZPJMESA-N 453.608 5.349 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc2ccccc2n1 613292874 ZVOIQYKDMXZGPA-KRWDZBQOSA-N 460.287 5.333 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1 613318302 WPYDXRGXLMMBMS-JOCHJYFZSA-N 455.514 6.000 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cc1 613404417 QRHYTHURGVRDMS-HXUWFJFHSA-N 479.508 5.204 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(Cl)cc1 617896217 NAKGXFNXPCXCFV-GOSISDBHSA-N 493.036 5.706 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1OC 618608732 NCGWISVTYPQIRP-QFIPXVFZSA-N 474.520 5.595 30 20 JKED Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2nc(C(F)(F)F)ccc12 642161232 DXYLNVSGHMDDQZ-IUCAKERBSA-N 478.380 6.263 30 20 JKED C=CCn1c(Sc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)nnc1-c1ccoc1C 669673338 XTSOGNWKHKQMJW-UHFFFAOYSA-N 472.599 5.739 30 20 JKED CCOc1cc(C=Nn2cnc3ccccc32)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 725849183 VALZJEKLMIDYEG-PIKZIKFNSA-N 474.605 5.123 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(CC[C@H](C)OC)C2=O)cc1Cl 726400689 QMAVDCRGGJMKKZ-HRAATJIYSA-N 490.025 5.042 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 726410095 BNZYQLOXZFARQP-OAQYLSRUSA-N 463.559 5.029 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2F)c1 726412032 LQMPCHLLSVFGJC-HSZRJFAPSA-N 475.520 5.107 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCOC(C)(C)C)C2=O)c1 726421161 LITMMHVRHBOUEI-JOHAUJDZSA-N 487.691 5.570 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)n2ccc(=[N+](C)C)cc2)c1 726573050 XTFGAXQLSJLRSS-UHFFFAOYSA-O 456.635 5.122 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1 726733170 QOYFCCXVTLVUKY-HXUWFJFHSA-N 450.991 6.463 30 20 JKED CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(CCC#N)c3ccc(C)cc3)ccc2C)cc1 726940741 QBLNWUUPGGOCAD-UHFFFAOYSA-N 477.586 5.063 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)c4cscn4)c3C#N)C(C)(C)C2)o1 728338043 JVBVMQTWNPTMTA-ALCCZGGFSA-N 479.583 5.551 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 728424788 IBAMPYYJAKGWAX-MHECFPHRSA-N 483.597 5.237 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1CCCCC#N 728779326 YIXQZKQMYDAPFJ-HXUWFJFHSA-N 499.434 5.412 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 729571161 QAJSCWWVBPVALB-VWLOTQADSA-N 490.604 5.994 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2C2CCC2)c1 730458642 BIQCZDZNNXKJKK-LJQANCHMSA-N 472.954 5.069 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)c1c(Cl)cccc1Cl 731078679 VVVADIDZFPNICA-ZIAGYGMSSA-N 451.375 5.531 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)cc1 731307617 IQBNRGREQRLECP-MHECFPHRSA-N 488.613 5.632 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccc(Cl)c1 731312695 OFPUWQMMVTYLAC-QFIPXVFZSA-N 490.972 5.078 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc3ccccc3c2)no1 731313565 ZPJAVYVFHHFVLJ-HSZRJFAPSA-N 486.553 5.002 30 20 JKED CC(C)c1nc(C#N)c(NN=Cc2c(-c3ccc(Br)s3)nc3ccccn23)o1 745613275 CQCFPHYFOASISH-UHFFFAOYSA-N 455.341 5.254 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/C(=O)c2ccncc2)c(Br)s1 745997783 LBNSQAKEJUXGIP-AATRIKPKSA-N 496.308 5.900 30 20 JKED N#Cc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccc(Br)cc4)csc3n2)cc1 747151512 RJIMEFDZSLJTCE-RQZCQDPDSA-N 468.763 6.435 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cscn3)C2=O)cc1 747600991 SHHHJYXDRQOOBI-JOCHJYFZSA-N 494.642 5.319 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)cc1 747603346 UADCYIAKMDYUEB-NRFANRHFSA-N 482.606 5.566 30 20 JKED CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C2CC2)CC1 751105479 KPVXKSMSTFIHSB-UHFFFAOYSA-N 475.589 5.141 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2cccc3cccnc23)c(C)c1 818206819 URKWAXKOQAVNGL-UHFFFAOYSA-N 475.530 5.007 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1C 837300828 XMNHWJDWOHKAGT-JPYJTQIMSA-N 476.577 5.559 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)c2C#N)C1 875463930 ZJWMHTIKSYNPJU-INIZCTEOSA-N 482.627 5.590 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C2CCCC2)c1 913119810 VUPGOOIXVIDPEZ-QFIPXVFZSA-N 499.036 5.510 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)c1 915514674 NHAURQXCAIFVPZ-UHFFFAOYSA-N 487.531 5.107 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1OC 916069382 UJTZKVAFKBEWFT-UITAMQMPSA-N 486.446 5.776 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 916206917 AVNDMEUENSNBJK-LJQANCHMSA-N 463.525 5.774 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCCC3)C2=O)c(OC)c1 916210306 ADWYRWUBLSQNCQ-NRFANRHFSA-N 488.009 5.260 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)cc1 916214976 SGIBPIIKADIQDM-VWLOTQADSA-N 496.592 5.404 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 916284367 ZOTPXPVWJCSMLL-UHFFFAOYSA-N 491.979 5.661 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 916681083 OCAWZRMUMCGLDH-DEOSSOPVSA-N 460.528 5.406 30 20 JKED CC(C)CNC(=O)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 916684316 XPGYTCJBKBFQMO-QFIPXVFZSA-N 452.986 5.012 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1OC 916837476 UKIQTAFNPHSXKI-IAGOWNOFSA-N 493.417 5.065 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 916904676 HVKIGCLATACBMV-IBGZPJMESA-N 478.932 5.891 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916932533 XVGXYSOPHYIQNH-OAHLLOKOSA-N 460.342 5.477 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916944437 DOEGLFVMRWOOLF-CQSZACIVSA-N 469.168 5.992 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1)c1ccc(Br)cc1 916974151 FGUKFTTYIFMUPI-UXHICEINSA-N 482.403 5.325 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996363 LMVMXBFNHIOAIJ-GUYCJALGSA-N 456.354 5.346 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1Cl 917043387 IEBFCIZQPAMCGO-CQSZACIVSA-N 482.414 5.124 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1c(Cl)cccc1OCc1ccccc1Cl 917545799 JHNZUNUBFVMZNH-UHFFFAOYSA-N 477.417 5.426 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(Br)c2)cs1 917558289 RCYMAOKTIJJPFG-JXMROGBWSA-N 461.768 6.140 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)cs1 917560033 QGGGYEGHIDZUIW-KQWNVCNZSA-N 495.629 7.169 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C(C)(C)C)CC2)c1 917669501 REENGCNKYQYKBV-HSZRJFAPSA-N 496.652 5.357 30 20 JKED C[C@@H](OC(=O)c1csc(-c2cc(Br)cs2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 919632220 QIENJUZFRJBHED-SECBINFHSA-N 496.795 5.343 30 20 JKED O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C\c3csc(-c4ccsc4)n3)cc2)cc1 920064733 YIQCNOHODACGRQ-YFHOEESVSA-N 496.591 5.267 30 20 JKED Cc1cc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)ccc1Br 920479916 WHGJZDKAHINTET-UHFFFAOYSA-N 457.397 5.164 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)C2(C#N)CCCCC2)cs1 920673606 PFAWHOAOGDZNSN-UHFFFAOYSA-N 451.470 5.364 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1OC 920868166 JDJVQBPKQBPWRS-HOYKHHGWSA-N 491.613 5.091 30 20 JKED N#CCSc1ccccc1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 929089604 SKZRTDWLTWMGOX-WQRHYEAKSA-N 492.409 5.075 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5s4)CCC3)cc2)cc1 1785880705 OVCMKINWZWRTMZ-UHFFFAOYSA-N 455.539 5.356 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)c1Cl 1787127900 FUBMDUYUMCIYAZ-UHFFFAOYSA-N 490.007 5.154 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)F)c4)CCC3)cc2)c(O)n1 1787172026 SVQRNPDAUQKIIW-UHFFFAOYSA-N 492.526 5.300 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)c1 1789010620 OLYSKXGCRYPRBQ-UHFFFAOYSA-N 474.564 5.487 30 20 JKED O=C(/C=C/c1cc2ccccc2o1)Nc1ccc(C2(NC(=O)/C=N/O[C@H]3CCCCO3)CCC2)cc1 1789116346 OAYGDSHAXHSYBX-ABSCKSGRSA-N 487.556 5.109 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ncc[nH]4)cc3)CCC2)cc1 1789454829 GHYGVMFEXKILIY-DEOSSOPVSA-N 454.574 5.593 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)no4)CCC3)cc2)c1 1790074344 OAIPXOGSRJRPOA-UHFFFAOYSA-N 492.535 5.283 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CCC1 1790226830 OPTMLSUDBZTIBX-UHFFFAOYSA-N 475.372 5.251 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5cc[nH]c5c4)CCC3)cc2)ccc1F 1790520131 GTNQTWVGDTYERJ-UHFFFAOYSA-N 466.516 5.169 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)ccc1Br 1790745075 BYOZEGBCUWSDPB-UHFFFAOYSA-N 498.764 5.629 30 20 JKED Cn1cc(F)cc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785144 PNETUOSISVOHPQ-UHFFFAOYSA-N 484.453 5.116 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)C(F)(F)c4ccco4)cc3)CCC2)c1 1791077319 PLZRNQSCQRJZRP-UHFFFAOYSA-N 463.484 5.010 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3cc(Cl)ccc3OC)cc2)CCC1 1791186285 ZBMTWMFOKFCXIJ-UHFFFAOYSA-N 462.924 5.237 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)c3cc(OC)ccc3OC)CCC2)cc1 1791252275 LUMNOEGHMQPZNG-LJQANCHMSA-N 478.589 5.013 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CC(C)(C)C3)cc2)CCC1 1791647344 DHQGGXSUQDRXJK-NRFANRHFSA-N 469.626 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccn5nccc45)CCC3)cc2)c1 1792126241 CEXSTAKZGDYPKR-LJQANCHMSA-N 463.541 5.023 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5ncc(C(F)(F)F)cc45)CCC3)cc2)CCC1 1792231394 UBAXUDCWMSKFKI-UHFFFAOYSA-N 481.478 5.023 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc(F)ccc3s2)cc1C#N 1798089540 SVYGEJIJIQSGOH-KOUNCHBCSA-N 491.588 5.265 30 20 JKED CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Br)c(C#N)c2)cc1 1800633041 AXENDQSRPWLSQO-KOUNCHBCSA-N 480.406 5.010 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@@H]2c2cccnc2)C1 1802406524 DFRRTQXMMVGHGO-CJFMBICVSA-N 475.976 5.281 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@H]1c1cccnc1 1802499728 IHFPUXRHTVIYBY-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1803084626 UJGAOCKCBMUZBJ-FUFSCUOVSA-N 496.655 5.389 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(O)c3cc2OC)[C@H]1c1cccnc1 1803089644 CKMWADFGPLMEOG-FIPFOOKPSA-N 499.611 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808161905 WIFQYIQSXLMUGW-UZINWLIJSA-N 491.035 5.613 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)s2)[C@@H]1c1cccnc1 1808800121 YYURSGGMRAKFAP-URXFXBBRSA-N 465.663 5.529 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808974659 JFHIVSXZBBZNNX-OZXSUGGESA-N 455.602 5.547 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808975798 KNCXTPRVPPZVAP-JYFHCDHNSA-N 455.602 5.547 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1809212733 YGOCMTMDYBVVNI-NLFFAJNJSA-N 491.035 5.595 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)cc12 1809805696 RSWHNVCCHYFFID-FNZWTVRRSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1810175513 ZGCMDFYJOGGCFO-BPYKYCOYSA-N 463.647 5.110 30 20 JKED C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CC=CCC1 1811873488 PPYLNSXOXVVENT-CHZKFRDHSA-N 496.533 5.038 30 20 JKED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1813042775 LDAHJCWLKDEVFR-NRYAXDJKSA-N 481.706 5.315 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3SCc3ccccc3)[nH]n2)C1 1814397332 XKDVQBSUEASNDQ-QHCPKHFHSA-N 487.629 5.369 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2ccccc2F)n[nH]1 1814852192 MRSGCGCQAIIWQS-REWPJTCUSA-N 452.574 5.332 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)n[nH]2)ccc1F 1818932040 ZHJHNPHOABHHKH-SCIUHPPWSA-N 491.611 5.262 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)cc1 1819079188 TUDQDUMKINFOHU-HXUWFJFHSA-N 473.533 5.255 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1)c1ccccc1 1819518691 CGLUNGMGCFSQKO-BDYUSTAISA-N 491.595 5.461 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3sccc3Cl)n[nH]2)cc1C#N 1819958980 LKDBFMHCAPUUDT-IBGZPJMESA-N 498.008 5.403 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1)C(F)(F)F 1820101265 QINYTSJWSCBHBK-QGZVFWFLSA-N 487.507 5.302 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1)c1ccccc1 1821178779 GPWXITVVSOMXGO-RSXGOPAZSA-N 469.589 5.221 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccc(Br)cc3c2)n[nH]1 1821425787 HCTXQQUSWZCMPA-BTYIYWSLSA-N 496.409 5.239 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4c3oc3ccccc34)n[nH]2)c1 1821611850 SZNNTMCQMWBNSY-DEOSSOPVSA-N 489.535 5.800 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)[nH]n1 1821921786 UUMZOYSAFLFQMT-KUHUBIRLSA-N 484.398 5.172 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)[nH]n1 1821926849 XMYLIYFSOICPMK-XMSQKQJNSA-N 485.028 5.016 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)[nH]n1 1822403405 HBSNDICSMUSYRI-IGKIAQTJSA-N 479.669 5.333 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)cc2Cl)n[nH]1 1823244626 YJBKSJYLMONGBW-OAQYLSRUSA-N 456.974 5.146 30 20 JKED Cc1csc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823682105 RRNAFNZBTLBEOV-SANMLTNESA-N 477.674 5.113 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823686287 VXHLPSLKIMNEOR-RUZDIDTESA-N 494.035 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1823750721 FWTGUHDNZIWJCV-QHCPKHFHSA-N 491.717 5.294 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1 1824053753 FANPDMXSRJMXGN-RUZDIDTESA-N 481.999 5.217 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056252 SCBFMVNFCHAJQW-JOCHJYFZSA-N 485.049 5.085 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)CC1 1824144735 DSAUADZIZHWGEX-WUFINQPMSA-N 479.709 5.458 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1 1824537833 GBUUDKKRJRDIIO-UIOOFZCWSA-N 481.706 5.282 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 1824888354 BFTBSPYGVXPRKB-WDYNHAJCSA-N 491.720 5.287 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1824958772 FHKFCYJTFBAAEU-QFIPXVFZSA-N 472.054 5.041 30 20 JKED C=C(C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)CC2)C(F)(F)F 1825264548 UXTOXOCAMZAAQN-CQSZACIVSA-N 495.910 5.401 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1)C(F)(F)F 1827924028 FVSSLTVJJZXSDA-HXUWFJFHSA-N 477.552 5.162 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c1 1828255836 PLTGQQVUTOPJTR-SANMLTNESA-N 469.585 5.171 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828829087 XPVFVWOZOYTRPO-WIOPSUGQSA-N 451.586 5.309 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 1828906808 IVSASLCCUTZEGH-XMMPIXPASA-N 474.668 5.249 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ncsc3[nH]2)CC1)c1ccccc1 1829033632 YCHZAKMKCVVQLU-WIOPSUGQSA-N 488.657 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1829068208 KPQSALDRBHDIRJ-HSZRJFAPSA-N 491.717 5.244 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1829233833 AVPFJBYKHRMYNC-SBUREZEXSA-N 499.442 5.563 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)c1 1829776059 GZLQMGBKCFSTFI-HHHXNRCGSA-N 484.575 5.240 30 20 JKED Cc1nc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)ccc2s1 1830015348 ZYNXGIXXFXEHOT-XMMPIXPASA-N 472.614 5.024 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1830347638 DIRWWRXWRBABFJ-HHHXNRCGSA-N 488.628 5.096 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830730304 DGNCWYDOVAJPQI-IBGZPJMESA-N 473.441 5.285 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1830770620 DEPHAKQVUSEYEU-DEOSSOPVSA-N 483.534 5.433 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1832355168 DEBOLIQGCWATDY-IPMDKULASA-N 476.646 5.025 30 20 JKED COc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1832594273 DYBAOTKWBSVFLE-RUZDIDTESA-N 486.704 5.119 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)c1 1832634048 RFUGDXBYSSHWOW-GKVSMKOHSA-N 483.534 5.278 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(N(C)C)cc2)c(Cl)c1 10178870 VIWIMOLONWXYHI-UHFFFAOYSA-O 479.069 5.850 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179007 LEMWICOWCQAZPL-UHFFFAOYSA-O 475.377 5.802 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccs1 11182390 WMAOOGPKQGPZJQ-IVCQMTBJSA-N 495.626 5.329 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(C)c2)c1C 11258422 XRXNOENPYGGVCN-UHFFFAOYSA-O 471.002 5.027 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 11263248 XAANCIDMJYZQJO-UHFFFAOYSA-O 462.683 6.401 30 20 JKED COc1ccc(NC(=O)[C@@H](OC(=O)c2cc(C3CC3)nc(SC)c2C#N)c2ccccc2)cc1 12577477 DRNMOCFTWXPXSN-QHCPKHFHSA-N 473.554 5.098 30 20 JKED N#Cc1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc1 15238152 ZISUNOHXQBOENT-JOCHJYFZSA-N 476.989 5.050 30 20 JKED C=CCn1c(SC[C@H](C#N)CCC#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 15243187 MEFCVPVLNQTPLQ-FQEVSTJZSA-N 464.598 6.190 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 22690192 DYBICYNCPHNFDF-UHFFFAOYSA-O 494.559 5.684 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccoc1C 23519224 CLMHQRUQZVIEDG-HNNXBMFYSA-N 481.603 5.284 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(CC#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 26384160 QYZSTPANJKSZNN-XNMGPUDCSA-N 453.542 5.193 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 32785810 GTZQRBYYVOADCX-INIZCTEOSA-N 471.424 5.245 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H](C)C(C)C)c1 106038939 XXTLNAHWUPBBIU-SFHVURJKSA-N 461.027 5.370 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1nc(-c2ccccc2)cs1 247755877 WJKTWENDFBTORJ-IBGZPJMESA-N 483.578 5.619 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1 302962593 CCRLENGXYDKDRG-UHFFFAOYSA-N 489.000 5.608 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 303117304 DPBXDDDZEJTQFN-HNNXBMFYSA-N 453.420 5.235 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c2C(F)(F)F)c1 481855625 VVCQTXOUCITLSF-UHFFFAOYSA-N 468.357 5.265 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 499088226 MPTIGCPCJPYGSM-UHFFFAOYSA-N 479.540 5.300 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCNC(=O)c1ccc(F)cc1F 501159047 GXZFALSTRGWVEO-UHFFFAOYSA-N 465.475 5.027 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)c2)cc1 501470200 HXUQGKDLJZICAP-UHFFFAOYSA-N 494.448 5.928 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(COC3CCCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 502302393 DSACKQJTQIWRCF-UHFFFAOYSA-N 473.533 5.474 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)cc1 502717043 VPMWXESHAUJSQC-VWLOTQADSA-N 495.604 5.476 30 20 JKED N#Cc1c(CCCNC(=O)Nc2c(F)cccc2Oc2ccccc2)nn(-c2ccc(F)cc2)c1N 504154293 JKYAGGHVDLBMPE-UHFFFAOYSA-N 488.498 5.151 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 505036703 SSHNDXYAPSLXIK-UHFFFAOYSA-N 494.623 5.029 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)o1 505691185 CGDFSKBYXQQICG-UHFFFAOYSA-N 470.481 5.792 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)n2)cc1 506843082 MCCRPEFJVRQQGU-FQEVSTJZSA-N 457.559 5.321 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2cnn(-c3ccccc3)c2)cc1Cl 510023557 LYWLESUFGDLTCC-DEOSSOPVSA-N 455.949 5.545 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 512846383 ZTVIJROYKMCZDK-UHFFFAOYSA-N 462.553 5.316 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 514424835 NWGHELPVKFMZEB-UHFFFAOYSA-N 474.476 5.107 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1Cl 515962559 QWNRVFKDSBFYRZ-REWPJTCUSA-N 494.016 5.203 30 20 JKED C=CCN(C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 518255815 SLQLZTUFKUJRBX-FQEVSTJZSA-N 481.560 5.004 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2Br)no1 520692677 XKZQDEYMIJERFW-UHFFFAOYSA-N 472.364 5.389 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)O[C@H](C)C2 520787025 QFFUYQIDTUNRFR-WMTVXVAQSA-N 497.595 5.731 30 20 JKED N#CCCSc1ccccc1NS(=O)(=O)c1c(Br)cc(F)cc1Br 521713943 WGZWTYRXDCFJPP-UHFFFAOYSA-N 494.205 5.157 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 521733544 IKZKWFMLMMSNAO-MJGOQNOKSA-N 471.648 5.062 30 20 JKED CCOc1c(Cl)cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 523131730 MGBFFAJNQPYFPV-UHFFFAOYSA-N 481.955 5.670 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1cccc(C(F)(F)F)c1 524675186 VTIGSNRMOPDQEV-IBGZPJMESA-N 463.525 5.553 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1ccc(OC(C)C)cc1 596533240 BGWYAJAAEYJSDZ-QGZVFWFLSA-N 485.491 5.482 30 20 JKED COc1ccc(CSCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1[N+](=O)[O-] 603569357 KYEVIGWZMREJPA-UHFFFAOYSA-N 479.533 5.389 30 20 JKED Cc1nc(SCC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)c(C#N)c(C)c1C 603744357 OGGQYFDNTQLAJB-UHFFFAOYSA-N 473.385 6.103 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(CCc3ccccn3)Cc3ccc(F)cc3)c2)cc1 608891980 WHDFIDHMRLNVOG-UHFFFAOYSA-N 494.570 6.143 30 20 JKED Cc1cccc(NC(=O)COc2ccc(CCNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)c1 608917928 DIAWXLWDNHGBFA-UHFFFAOYSA-N 484.600 5.047 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 609085413 PKSIQXLXZOIULL-QHCPKHFHSA-N 492.000 5.391 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1Cl 609163952 DOSLUENTNMFLLY-DENIHFKCSA-N 490.966 6.017 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)COc3cccc(NC(=O)c4ccco4)c3)c2)cc1 609177337 OZUQXDROCCRHCG-UHFFFAOYSA-N 453.454 5.213 30 20 JKED COc1cc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OCC(F)(F)F 609209188 VCFOGGKQEAAPTG-UHFFFAOYSA-N 471.435 5.622 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(I)c1 609381668 HOWRQOWVRYRDSK-UHFFFAOYSA-N 482.290 5.630 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 609402673 HRTISKLBNTWGLE-UZUQRXQVSA-N 463.990 5.436 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 613404438 NLACQLSTHHEUKK-FQEVSTJZSA-N 477.467 6.256 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(Cl)s2)nnc1-c1ccc(Br)cc1 613939098 JYANXJPDURNZBK-UHFFFAOYSA-N 483.844 5.017 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCc3cccc(Cl)c32)c1 618178556 WCKOFHNKJYTBKZ-UHFFFAOYSA-N 487.408 5.578 30 20 JKED O=C(Nc1ccc(F)cc1OC1CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622594890 DLLYPQHXZPMOFK-UHFFFAOYSA-N 451.338 5.673 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)s2)cc1 627787684 XFMCHRZUDWGAOT-UHFFFAOYSA-N 490.997 5.839 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccc(F)cc2)cn1 726114461 WJPUHMWXSGJDAR-NRFANRHFSA-N 499.999 5.164 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc(Cl)s2)cn1 726114597 YCLWSWWHAOEOHR-SFHVURJKSA-N 488.038 5.087 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 726392495 HBHCBXLLLDGLLW-KXBFYZLASA-N 493.601 5.387 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccc(C)o2)cc1F 726412171 QNBZGQXNCHSULV-JOCHJYFZSA-N 499.539 5.078 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@@H](C)c3ccccn3)C2=O)cc1 726421642 RGXRWLOAMIJLGT-NPCNHFMYSA-N 478.643 5.603 30 20 JKED CC(C)Oc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2cccc(O)c2)cc1 726574014 XRHPLNIPVFDMLZ-UHFFFAOYSA-O 492.621 5.197 30 20 JKED Cc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C)n1C[C@@H]1CCCO1 726626587 IIOKPGCSTKITPM-VTTDFXIBSA-N 458.008 5.215 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCC2=CCCCC2)cn1 726888146 LLYQMRFNFBXFGR-OAQYLSRUSA-N 482.581 5.080 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(Cc2ccc(F)cc2)n1 727038571 LQQSEWHGPCITMU-MRXNPFEDSA-N 461.490 5.149 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 727620830 NAGJXINBNOWILQ-QPPBQGQZSA-N 494.378 5.187 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 728136561 WTFUCZISFHYMRC-JOCHJYFZSA-N 483.540 5.264 30 20 JKED N#Cc1cccc(COc2ccc(NC(=S)Nc3cccc(Br)c3)cc2F)c1 728175363 QNTZROFDDZHLFI-UHFFFAOYSA-N 456.340 5.848 30 20 JKED Cc1ccc(-c2nnc(S)n2CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 729325065 NBVUMTLBZKAWQG-UHFFFAOYSA-N 485.588 5.172 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 729566439 RUCXNJAOFYLOLG-LJQANCHMSA-N 480.565 5.128 30 20 JKED COc1cc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OCC(=O)O 730436739 LTKKNLIJFQXCKH-IHWYPQMZSA-N 493.312 5.001 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CCC1)c1cccs1 730462298 MIMZIGZLWAVQIT-NSEJETEYSA-N 492.464 5.453 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)nc2ccccc21 730684671 BEFBUXRIBOXOCS-SBUREZEXSA-N 478.321 5.471 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cocn3)C2=O)cc1 730713065 LLMJTWWUWUNSHE-QHCPKHFHSA-N 492.601 5.241 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 731060830 LPCUOJNYPNESJC-QGZVFWFLSA-N 456.995 5.585 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 731061155 QARMOXJQXJWXFM-NNIWKIFQSA-N 480.586 5.861 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)s1 731306067 KHTKBUHZKKMSOA-HRAATJIYSA-N 465.600 5.484 30 20 JKED CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 731400337 NMHZCRNPECKZFH-UHFFFAOYSA-N 450.539 5.119 30 20 JKED Cc1csc([C@@H](C#N)C(=O)CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)n1 742275655 GFIMQVNAFGLWBB-LBPRGKRZSA-N 469.589 5.330 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c(C)c1 746696829 VTAMQNLXDWBQJZ-OAQYLSRUSA-N 471.598 5.218 30 20 JKED C[C@H](C#N)CN(C)Cn1nc(COc2ccccc2F)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1=S 746706535 MNLIFPXVPLVYGJ-DEPCRRQNSA-N 457.619 5.178 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1-c1ccccc1 750912345 VPSYKVABIVFVIB-XMMPIXPASA-N 491.588 5.490 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(Cl)cc1 799219316 POOMUJUZBGSVAT-MRXNPFEDSA-N 466.788 5.083 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C[C@H]2CCCO2)C1=O)Nc1ccc2ccccc2c1 838595216 CKDJRWAJINQTHX-OFNKIYASSA-N 495.551 5.257 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 873758450 RDVMIPOXIQPXLE-UHFFFAOYSA-N 451.162 5.581 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 912844055 MMEQTMVRHSLHBY-VCOUNFBDSA-O 464.655 5.068 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914499884 LNRNHTMLEYUARI-XSFVSMFZSA-N 469.657 5.040 30 20 JKED CCOCCCn1c(NN=Cc2c(C(C)C)nn(-c3ccccc3)c2Cl)nc2ccccc2c1=O 914555067 ITWHFOGEINCHKO-UHFFFAOYSA-N 493.011 5.232 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc(F)c3)C2=O)cc1OC 914772616 HFCGWSMLQJGJPP-HSZRJFAPSA-N 493.560 5.003 30 20 JKED N#CCN(C(=O)COC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1ccccc1 914963539 LHEFEMXNKZSZJV-UHFFFAOYSA-N 452.841 5.287 30 20 JKED Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)CC2)c(C)c1 915102449 STRXDSVMDGRFPT-JOCHJYFZSA-N 493.654 5.013 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 916207054 XEMLSRPXSZAQDG-KRWDZBQOSA-N 484.380 5.129 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cs1 916352641 SULDUOHSTGDSFG-BIENJYKASA-N 464.060 5.104 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 916885371 VBXYUYZYRLTJHJ-KRWDZBQOSA-N 455.898 5.063 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1 916914469 LSKFVOZDJOUALK-APWZRJJASA-N 496.658 5.326 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977438 QQKCJEXOKJLLQL-GOSISDBHSA-N 465.991 5.321 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917044712 UVOALFFHPZEZTQ-ZDUSSCGKSA-N 455.255 5.333 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cc(C)cc(C)c1 917375176 QSYACIJGSYSUTP-QHCPKHFHSA-N 488.016 5.572 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2nc(C(F)(F)F)nc3ccccc23)cs1 917542868 WFVBAMUYOCJBPW-UHFFFAOYSA-N 474.443 5.375 30 20 JKED COc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OCc1cccs1 917569332 SIHVDQYUKHVZPO-UHFFFAOYSA-N 487.606 5.965 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F 917677262 ABAYFDMGCIETDC-OAQYLSRUSA-N 496.495 5.034 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)cc1 917681298 NRUNTZXICZUIQJ-QHCPKHFHSA-N 476.577 5.252 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 917701235 LNKHWGGVIXVEPC-HSZRJFAPSA-N 489.000 5.050 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 918552815 WKSMTMYIVFRFAF-UHFFFAOYSA-N 482.458 5.479 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)NCc3ccccc3)cc12 919664876 MIQCZCKVAPNOFT-LJQANCHMSA-N 497.407 5.400 30 20 JKED N#CCOc1ccccc1C(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 919978442 XBYSMXBKLWSLCW-MRXNPFEDSA-N 488.396 5.845 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)s4)n3)n2)cc1 920111856 ZVKPYCBGZFFZSD-HNNXBMFYSA-N 456.017 6.376 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc3c(c2)OC(F)(F)O3)cc1 920993719 DDXZTOXFEMSGIA-UHFFFAOYSA-N 455.461 5.418 30 20 JKED C=CCOc1c(Br)cc(CN2CCc3c(ncn3CCc3ccccc3)C2)cc1OC 929067111 KAICJBBXQPBISX-UHFFFAOYSA-N 482.422 5.020 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CCO2)C1 1778883456 LBMSYOMWUKESMJ-DJUQAAIZSA-N 485.628 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)C2 1779509414 JIWQYHKSLFZKQU-UDYSNKEISA-N 492.582 5.225 30 20 JKED CCSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1785780431 YWADWWFRQQTCCT-UHFFFAOYSA-N 456.571 5.127 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3Cl)cc2)CCC1 1786708444 GWKCMPHPDWSLOP-UHFFFAOYSA-N 452.982 5.219 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5nc6ccccc6[nH]5)cc4)CCC3)cc2)CC1 1787880820 KQTNBHZRULLNJT-UHFFFAOYSA-N 475.552 5.281 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(ccc5ncccc54)s3)CCC2)cc1 1787886798 WEYUGLSGZLTTTP-UHFFFAOYSA-N 454.555 5.501 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CNc4ccccc4C3)cc2)CCC1 1788066246 DHBISLMHYMYSAH-UQBPGWFLSA-N 465.663 5.140 30 20 JKED COC(=O)CCCCCC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508953 CZVNONTVZDSEEY-UHFFFAOYSA-N 484.713 5.295 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)cc3)CCC2)cc1 1789528157 HPDYSRYKAGZIFK-QKDODKLFSA-N 479.605 5.123 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)COc3cccc4ccccc34)CCC2)cc1 1789573896 FLZWLGFASWUCJY-UXHLAJHPSA-N 481.552 5.065 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(=O)c5ccccc5o4)CCC3)cc2)c1Cl 1790082730 JIZRWDLKHKYBNV-UHFFFAOYSA-N 497.938 5.380 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5[nH]4)CCC3)cc2)c1Cl 1790084026 VANWZFDVOVCETO-UHFFFAOYSA-N 469.932 5.149 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCc4cccc(Cl)c43)CCC2)cc1 1790567205 IPPZRXCTFNKCSL-DYESRHJHSA-N 467.997 5.305 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc(Cl)c3F)CCC2)cc1 1790569781 RTYDECWHWWOLKT-CQSZACIVSA-N 463.912 5.167 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)c(F)cc3OC)cc2)CCC1 1790762223 WOTIWWVIZVPHMH-UHFFFAOYSA-N 487.369 5.148 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(Br)ccc4n3)CCC2)cc1 1791250525 TTXSMCSPBPUFFF-INIZCTEOSA-N 481.394 5.057 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791252349 OYINGGZTGAKXOB-JTAQYXEDSA-N 483.653 5.416 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1791563243 PYOSEWIEIJBNRD-ZJSXRUAMSA-N 495.664 5.398 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791585001 UFDVVFSLXMKECW-GOTSBHOMSA-N 481.637 5.008 30 20 JKED COc1cc(F)ccc1CC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124239 RJOJSXXOXBKNGM-IBGZPJMESA-N 485.559 5.452 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CC3(F)F)CCC2)cc1)NC(=O)OC(C)(C)C 1792206082 INRZJDYJMZBAQJ-NTKDMRAZSA-N 491.579 5.025 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1 1792240935 JOGZSYANEJIAMP-LNLFQRSKSA-N 452.517 5.080 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)c1 1796475298 KTEPKUFIECHNRF-KOUNCHBCSA-N 484.987 5.148 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)cc(C)nc2c1 1797955434 BDVNNFAROZWHKO-ACDBMABISA-N 454.014 5.441 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1nc(-c3ccccc3)sc1C)C2 1798331867 BOLYVAWNFCENEN-BJESRGMDSA-N 463.647 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C2 1798591236 VPSKENLPYIRWKL-BJWYYQGGSA-N 487.855 5.656 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(OC)cc(C(F)(F)F)c1)c1ccccc1 1800840730 WIAIFQZVDMRLHP-AANQFLQQSA-N 498.545 5.163 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)C1CCC(c2ccc(Cl)cc2)CC1 1803221555 JITAPDDYVKORTD-FMVDIBJOSA-N 490.047 5.128 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)C4CCC(C(F)(F)F)CC4)C3)CC2)c1Cl 1806472435 ZYQWEVGEKZRMIK-UHFFFAOYSA-N 495.973 5.425 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)s4)C3)CC2)c1 1808212573 MKIVLWGQKIKIIP-KRWDZBQOSA-N 456.011 5.187 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3ncccc23)[C@H]1c1cccnc1 1810273928 YJDDHGYRAANYBS-LXFBAYGMSA-N 498.703 5.001 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CSc2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1810448106 ZNFGQILXTPRRSE-MDZVADFISA-N 497.664 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1810495294 LYWWIFXIOCHKEY-GJZUVCINSA-N 488.607 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1810502287 GTBGNSPOHDYQOJ-BDYUSTAISA-N 461.650 5.446 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c1Cl 1811424269 HLXKSRBGVNVFLO-AJTFRIOCSA-N 499.014 5.119 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c(OC)c(C)c2)[C@H]1c1cccnc1 1811539885 UYXADKRJQNICET-ISKFKSNPSA-N 463.622 5.019 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@@H]1c1cccnc1 1812588031 YIWZAAJLAYOONQ-LRXVAGHRSA-N 476.543 5.015 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1812590340 HQZSYOKBJOUQOM-QXATTWAWSA-N 460.405 5.229 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1)C(F)(F)F 1812675340 OTFZYERBMUUONR-BVSLBCMMSA-N 493.957 5.299 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1)C(F)(F)F 1812683904 WTXBYKVFOLZMEX-GJZUVCINSA-N 495.545 5.300 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1812935044 LAUZQERVYNZPNX-FAHANXHHSA-N 488.607 5.109 30 20 JKED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2c2cccnc2)CCC1 1813977633 NKIRCLHXNSPTFS-QRWLVFNGSA-N 491.806 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1813990249 GHNOTPRYWAQWSW-XFAFFCHDSA-N 491.607 5.098 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)[nH]n1 1814824572 YOSNVLJUSJVAGH-UFSNDUKISA-N 454.521 5.162 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1815095832 JUIZRTJRWKABKQ-HRAATJIYSA-N 494.020 5.421 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(CC(C)C)oc3ccc(OC)cc23)n[nH]1 1817711634 WQOWKVQOCAJYTJ-OAQYLSRUSA-N 476.577 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)n[nH]1 1818158945 IRKOVIDRFHNVQT-QHCPKHFHSA-N 490.608 5.107 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Br)cc3s2)n[nH]1 1819076610 QLNAMVKQRUDKNR-SFHVURJKSA-N 499.434 5.496 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3c2)n[nH]1 1819130210 WKJWZMSEIYMWLU-NRFANRHFSA-N 479.378 5.045 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1819307328 FVCURHIWKHKPAI-AVRDEDQJSA-N 487.629 5.951 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)[nH]n1 1819308066 UQMYPGPAJWJOOY-HYBUGGRVSA-N 479.600 5.223 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)[nH]n1 1819309794 HSQPHJUFYTUHPI-IFMALSPDSA-N 452.624 5.135 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1)c1ccccc1 1819517300 WBJWYGRKXJDFLV-GMAHTHKFSA-N 482.575 5.425 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)CC2 1819598050 RQLZLMCHINKSCJ-SDSLYQAOSA-N 490.673 5.202 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c1Cl 1820220805 BLDKQWATGUEBHK-QFIPXVFZSA-N 473.964 5.432 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1)c1ccc(F)cc1 1820551202 ITWOTEOMUNYSBV-ZCYQVOJMSA-N 473.552 5.166 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821270953 MBXZXNGEUZEEHD-NRFANRHFSA-N 465.916 5.002 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)cc1C#N 1821306097 AKXKLZSHPYBHBT-VWLOTQADSA-N 497.599 5.566 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)n[nH]1 1821351755 GJGNTJIRKYABNJ-UTKZUKDTSA-N 492.542 5.649 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(CC)CC)n[nH]1 1821752818 DDTCDIIWYDGOIC-AOYPEHQESA-N 477.653 5.253 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1)C(F)(F)F 1821989081 CPDJJRUNJNNBTN-INIZCTEOSA-N 452.477 5.033 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1823260987 NBVDNSSIOKCFCQ-MWTRTKDXSA-N 491.979 5.318 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1823718865 VOLOZLLRMIIQNN-UFIOJNINSA-N 465.594 5.096 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 1823752883 QEVQEADJOYOBHS-QHCPKHFHSA-N 494.705 5.739 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1823812490 STRUKNOBGYKWAA-VWLOTQADSA-N 489.019 5.169 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1824002865 NOOHKSROPOBWCB-FQEVSTJZSA-N 485.839 5.059 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5oc(-c6ccccc6)cc5[nH]4)sc3C2)C1 1824225301 WRLXMUAIZVPFHH-KRWDZBQOSA-N 472.570 5.076 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1 1824544622 QKLNWPNHPTXQKE-FCRGVEGXSA-N 499.540 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3C(C)(C)C)CC2)c1 1827299462 KQAXDLLRPMQZQJ-QFQXNSOFSA-N 486.660 5.553 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827778352 IEACXQMHDNINMF-QHCPKHFHSA-N 497.602 5.304 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2[nH]1 1828211442 AWBCDUWSRZNSGQ-HRFSGMKKSA-N 482.628 5.651 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1)C(F)(F)F 1828400374 INHHJFLPPLMHGP-ACRUOGEOSA-N 468.947 5.182 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828547632 YXSQYMQZBXNXJD-LJQANCHMSA-N 460.665 5.179 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(Br)cccc4c3)CC2)CC1 1828657119 XPVVCPMEAZDRGP-HSZRJFAPSA-N 494.433 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1828828953 VEJNFASIJUPUNF-ZEQKJWHPSA-N 499.659 5.331 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828878092 HQLVLAGLAIBYOK-HKRNCWMRSA-N 458.693 5.140 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccccc2F)CC1)c1ccccc1 1829035053 KBBLZUDLMILUPG-XNMGPUDCSA-N 490.619 5.021 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c1Cl 1829690160 MYPWXIPXXGNYHF-IBGZPJMESA-N 493.913 5.371 30 20 JKED CCOc1c(F)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1829956288 BUGKEAQYCSYNQR-DEOSSOPVSA-N 497.998 5.297 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1830170121 PTKZXJWEIVDNCY-MHZLTWQESA-N 498.627 5.130 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CC1 1830685215 CQYBFHUDNRYBQX-RDPSFJRHSA-N 498.465 5.300 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3C(C)(C)C)CC2)c1 1830768339 PTOJIOBBSOYNKB-RUZDIDTESA-N 472.633 5.106 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1831287428 GAIXHXCQVXKDSQ-SANMLTNESA-N 490.047 5.371 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccnn3C)c(Cl)s2)CC1 1831371008 RZPQIKHHVQVKAV-FXAWDEMLSA-N 489.085 5.248 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1831445730 SNPRMISAMMSEJE-QHCPKHFHSA-N 489.994 5.641 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1831595208 ZQMSIWKMWWQFQM-NDEPHWFRSA-N 471.645 5.087 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1831599700 YCMUQVOPGMFKKL-MHZLTWQESA-N 457.618 5.158 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1835815741 XWRUGQQMJDDMKU-YIXXDRMTSA-N 481.725 5.380 30 20 JKED CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1)c1ccccc1 1837632781 YCEYQZAYWXIESZ-DEOSSOPVSA-N 494.035 5.018 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1)c1ccccc1 1837685065 GRVTVAHKIMCYKC-SKCUWOTOSA-N 487.644 5.000 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CC1 1838375595 KMJJJGJYZUJKPI-IBGZPJMESA-N 497.438 5.513 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1844203999 YJRQZPLKTZSROJ-SFHVURJKSA-N 465.421 5.366 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)C(=O)NC1(C#N)CCCCC1 8750548 JSRHQDCQVYOLMU-MRXNPFEDSA-N 484.000 5.550 30 20 JKED CCCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2sc3c(c2c1=O)CCC3 10783629 ZKIGPSCVRHFEMB-HNNXBMFYSA-N 466.632 5.128 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(N(C)C)cc2)cc1 11127153 ZESARQUTKMVQPJ-UHFFFAOYSA-O 468.646 6.368 30 20 JKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 15184710 WDXPNFHACDUZBD-HXUWFJFHSA-N 489.645 5.080 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(F)cc1 16835663 QNYDFIPIAILQMM-CYBMUJFWSA-N 450.461 5.408 30 20 JKED C=CCn1c(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nnc1-c1cccc(C)c1 22160357 SEAUDIQSJYVUHQ-QGZVFWFLSA-N 485.638 6.258 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Oc3ccccc3)cc2)c1 22730138 MXRPTVSZQOOURQ-UHFFFAOYSA-O 475.540 6.404 30 20 JKED C=CCn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1ccc(Br)cc1 29848815 BJMJRHHWCBEOEN-UHFFFAOYSA-N 454.353 5.236 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1OC 36821539 XCRIQIKJUWQMLZ-SFHVURJKSA-N 450.608 5.691 30 20 JKED CN(C(=O)Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1)c1ccccc1 71981252 WWELWXVOJVSSAY-UHFFFAOYSA-N 477.589 6.167 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 109905085 HMVYHCDPQROMMF-UHFFFAOYSA-N 488.382 5.054 30 20 JKED CCn1c(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)nnc1-c1cccs1 303147531 FKPQXNPNXDMHTH-UHFFFAOYSA-N 475.599 5.208 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccccc2OC(F)(F)F)cc1 303165755 QASKAQIVQGUWKG-UHFFFAOYSA-N 454.448 5.802 30 20 JKED Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 485893863 HPPQCLMKQAARCD-UHFFFAOYSA-N 498.587 5.453 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1 486068148 INMZRRXDSVVVST-UHFFFAOYSA-N 469.419 5.250 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cc1 489774178 LEQFRDQWZLXBPJ-UHFFFAOYSA-N 463.990 5.653 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccc(Br)cc2)cc1C 492792725 LPJNKQPLSLNMEE-UHFFFAOYSA-N 451.368 5.115 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ccc(OCC)cc2)no1)c1nc(-c2ccccc2)cs1 498280841 HFOJXVAHELOHEU-UHFFFAOYSA-N 460.559 5.411 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)oc3ccccc23)s1 499457690 SPJKKUAKUBKOAT-UHFFFAOYSA-N 498.589 6.801 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1nc2ccccc2n1C(F)F 499602444 NBOGZAXSCAGJMQ-SNVBAGLBSA-N 480.784 5.174 30 20 JKED CN(C(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1)c1ccccc1 503873360 LXXJIYASWDTTRH-UHFFFAOYSA-N 461.521 5.666 30 20 JKED Cc1ccccc1-n1c(SCC(=O)NCCCCC#N)nnc1-c1ccc(Cl)cc1Cl 505088173 WLEGNFQAYGQZSR-UHFFFAOYSA-N 474.417 5.452 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 506396510 RFGJSJHZKBXZOV-JOCHJYFZSA-N 461.949 5.038 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)cc1 510535253 UPKHHYITVHYNIJ-JOCHJYFZSA-N 460.622 5.197 30 20 JKED CCOc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 512549495 RQFREGXPEBCJAM-UHFFFAOYSA-N 461.465 5.696 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 512844866 PSAONMVGPFTOSS-UHFFFAOYSA-N 480.421 6.255 30 20 JKED C=CCn1c(SCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 514357644 YUGIWLPQKYGKGS-UHFFFAOYSA-N 490.938 5.063 30 20 JKED CSc1nc(C)c(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)n1 515242119 RUSMNVVQCRRAFQ-OAQYLSRUSA-N 450.995 5.696 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(I)c1)c1nc(-c2ccccc2)cs1 515543971 ZKTMGDKHQXQHIN-ZDUSSCGKSA-N 464.715 5.558 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc([C@H]3C[C@H]3C)o2)nnc1-c1ccc(Cl)cc1Cl 516136358 IAJSLRAWXIESEQ-DYVFJYSZSA-N 477.417 5.563 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccc(F)cc2)cc1 516724723 BBFLSURMVRWUBH-MHZLTWQESA-N 495.510 5.343 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 517110482 DSVSLWNRAWIRCP-UHFFFAOYSA-N 469.545 5.477 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 517915516 IDWZNOWUAMPJRS-GOSISDBHSA-N 476.945 5.316 30 20 JKED Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c2cnn(Cc3cccs3)c2n1 518207248 CVDMPGGLNWYZLU-SFHVURJKSA-N 456.358 5.151 30 20 JKED Cc1cc(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc(C)c1OCC(F)(F)F 518681631 CKSINAOYRWDNPR-OAHLLOKOSA-N 465.541 6.160 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 520530642 JFIQMGNNTUJVJS-UHFFFAOYSA-N 455.543 5.224 30 20 JKED C=CCc1cc(CNC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 522114675 DRWZUKWPJQLRIV-LJQANCHMSA-N 473.573 5.245 30 20 JKED CN(CCC(F)(F)F)C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 523367603 GBYFUJWZZLCUCH-UHFFFAOYSA-N 456.333 5.870 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)cc2F)c1 524566129 NJPWCEGLDBGCHB-SANMLTNESA-N 468.532 6.517 30 20 JKED C=CCN(C(=O)Nc1cccc(OCc2ccc(F)cc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 553664718 BFFWFFAJKKTQFE-LJQANCHMSA-N 472.524 5.162 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)cc1 599536825 TWBNLCCJSGZQQM-UHFFFAOYSA-N 470.579 6.044 30 20 JKED Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603658236 UOHJGGFGNUORPB-UHFFFAOYSA-N 453.502 5.136 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1 603838606 ZCXRBHHEVHRLSH-ZDUSSCGKSA-N 452.706 6.169 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCC3(c4cccc(Cl)c4)CCOCC3)cn2)cc1 604316176 GTINXIWVGWJJQX-UHFFFAOYSA-N 462.937 5.269 30 20 JKED CSCCc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 609017247 GZLQKECHQQZGHU-UHFFFAOYSA-N 461.612 5.447 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)c1 609060819 OBQHKRWTCZQSET-VWLOTQADSA-N 481.596 5.553 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cc2F)c1 609104048 MJPIAGYYKBKXOV-UHFFFAOYSA-N 486.528 5.166 30 20 JKED N#CCn1c(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc2ccccc21 609167515 ALVTZYIPMHFJNF-FQEVSTJZSA-N 455.345 5.105 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C 609192271 KFHSNRRIMWDKTL-FPTDNZKUSA-N 475.408 5.088 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 609207425 ZMNLFFCNCMXABJ-UHFFFAOYSA-N 493.567 5.793 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](COc3ccccc3F)c3ccccc3)CC2)c1 609211370 AIHLEDVDICIECO-VWLOTQADSA-N 459.521 5.070 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 609376701 IDJGDZYNTXDTCM-SFHVURJKSA-N 463.628 6.214 30 20 JKED CSCc1nc2ccccc2n1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609381776 ZKHAVPIHHUBRBL-UHFFFAOYSA-N 464.538 5.563 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 609439162 FIGHQQZHDGPLRD-FOIQADDNSA-N 477.552 5.942 30 20 JKED C=CCN(C(=O)c1sc(-c2ncccn2)nc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 614509411 ALEXWDPBXWSMDN-UHFFFAOYSA-N 495.633 6.532 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC(F)(F)F)C(C)C)c1 614663339 HUZLEWFUUJVYJX-UHFFFAOYSA-N 474.932 5.134 30 20 JKED Cc1nn(CC(F)(F)F)cc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517171 BKZDXFISXDDZOP-OAHLLOKOSA-N 489.338 5.005 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 726321755 PPBSMNHOPWXVLE-QGZVFWFLSA-N 498.313 6.026 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)c(F)c1 726409414 AIZADWWJQRGHFI-QFIPXVFZSA-N 463.534 5.134 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2C)cc1F 726410519 HKTHZTIJMCHBDV-HSZRJFAPSA-N 495.551 5.442 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)S/C1=N\[C@H](C)c1cccs1 726419702 GPLZXBMYUVKYMO-IQDGPNEGSA-N 466.028 5.210 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccc2)cn1 726887235 DKJFKEHVBOZVKE-OAQYLSRUSA-N 495.004 5.213 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2C2CC2)cn1 726891731 NKTJSXWPQFDQHK-QFIPXVFZSA-N 488.569 5.005 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2Cl)c1 728053249 XHWQHXWBWOQKAD-UHFFFAOYSA-N 493.354 5.075 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 728110366 ZIRMQQNYEIFYLB-VWLOTQADSA-N 488.540 5.040 30 20 JKED C#Cc1cccc(N(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2Cl)C(C)C)c1 728247730 NWUMRVOWMLZHOQ-UHFFFAOYSA-N 497.016 5.210 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cccnc2)c1Cl 728429925 LSUQVOUMNGYGNF-SUMWQHHRSA-N 477.417 5.058 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(O[C@@H](C)C#N)cc1)C(=O)c1ccccc1 728699534 TVKVCXUCHTYICA-XGDNCFSYSA-N 452.554 6.007 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)cc1 728778566 DECNYQSEPSXMKN-XMMPIXPASA-N 486.597 5.503 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1CCCCC#N 728779541 JPSPUQPYPPXHMY-JOCHJYFZSA-N 499.036 5.565 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)C(=O)N1CCCCC#N 728780352 RKNSBKRTZBZQIE-JOCHJYFZSA-N 499.036 5.565 30 20 JKED CCCN(C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)C1CCN(C(=O)c2ccccc2)CC1 728863823 JKGPLDVPTZNJLG-UHFFFAOYSA-N 468.601 5.123 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 729633433 DJLXEMVUQXJCBD-OAQYLSRUSA-N 464.978 5.204 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)O[C@H](C)C2 730685641 AZCZKXAHRUEJGS-SFJXLCSZSA-N 479.001 6.166 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)S/C2=N\[C@H](C)c2cccs2)s1 730730532 WPKFGSDKPKHZPC-HRCBFPBZSA-N 485.660 5.059 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccco2)cc1 731309157 UDNJKYRZDXDBTE-JOCHJYFZSA-N 463.559 5.269 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)N(CCC#N)c1ccccc1 744596255 KBVVCXLLNCCNRZ-CQSZACIVSA-N 474.369 5.609 30 20 JKED COc1cc(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)ccc1SC(F)F 746347372 ZIUZHBGFRIOYQQ-SOFGYWHQSA-N 456.514 5.291 30 20 JKED COc1ccccc1-c1nc(C(=O)O[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)cs1 746916812 OLCXAKBFFLXNDV-ZGWJWYQGSA-N 462.571 5.245 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cscn1 747601738 GTCCFCDLGXZVRQ-HXUWFJFHSA-N 468.579 5.005 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(OCCN(C)C)cc4)c23)cc1 748134487 ZHXIUJQUCFUYRZ-UHFFFAOYSA-N 461.591 5.143 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2ccc(CC)cc2)C=C1 748290573 JACHEUXIKMGCEW-UHFFFAOYSA-O 477.606 5.438 30 20 JKED COc1ccc(C)cc1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1ccc(C(C)(C)C)cc1 748294949 YCOPJCZSIOVIGG-UHFFFAOYSA-O 458.607 5.784 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=S)NC1CCN(Cc2ccccc2)CC1 749101801 GTJMJTPVVREOPD-UHFFFAOYSA-N 476.459 5.115 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(Oc2ccccc2)cc1 750909266 FVSNVPKZDOFCON-VWLOTQADSA-N 496.592 5.151 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cc(Cl)cc(Cl)c1 799223094 DJPVZPKZKGYZMF-GOSISDBHSA-N 464.374 5.176 30 20 JKED C=CCn1c(SCCS(=O)(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 808810686 ICEQZSHCYOAEQN-UHFFFAOYSA-N 498.855 5.113 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)c1 837300889 LOSMJRKAGXBCRX-HXUWFJFHSA-N 469.563 5.056 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837359576 HMDQJXJJLMAQNZ-OYHNWAKOSA-N 496.539 5.090 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2cccs2)cc1 838040804 LHMUSJMHSWETTI-NRFANRHFSA-N 483.590 5.099 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(C#N)c2)NC(=O)N1CCc1cccs1 840169500 FCDCTMPWEYLEBL-VWLOTQADSA-N 470.598 5.458 30 20 JKED CC(C)Cn1cc([C@@H]2N(Cc3cccc(OCc4ccccc4C#N)c3)CC23CCOCC3)cn1 849478432 HCVYYESVYJSPLW-NDEPHWFRSA-N 470.617 5.343 30 20 JKED C[C@H](CO)n1c(C(F)(F)F)nc2cc(NCc3cc(F)c(C(F)(F)F)cc3F)ccc21 864039931 NPYXJSOJRFVAMO-SECBINFHSA-N 453.333 5.518 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1ccc2c(c1)CCC(=O)N2 915947153 GRXFVZGLYGHHMQ-UHFFFAOYSA-N 461.587 5.364 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(C3CCCC3)C2=O)c1 916208185 VWRRIGWSOIHCRQ-QHCPKHFHSA-N 481.618 5.224 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccccc1F 916319575 AGLDLLFWNDHDLF-UHFFFAOYSA-N 461.353 5.115 30 20 JKED COc1ccc(-n2c(SCC(=O)[C@H](C#N)c3ccccc3)nnc2-c2ccccc2)cc1Cl 916622934 SGMJEEYFLNLDMX-HXUWFJFHSA-N 474.973 5.565 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 916681094 OCAWZRMUMCGLDH-XMMPIXPASA-N 460.528 5.406 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)nc2ccccc21 916844753 AOXZCLVBFRFRTQ-XXBNENTESA-N 460.331 5.332 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 916910670 YFNQAJRJSGKDMM-RUZDIDTESA-N 481.571 6.379 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1ccccc1Cl 916910681 IOWXACQQGSXQOA-HNNXBMFYSA-N 463.868 5.372 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c1=S 917461284 PLKKIJZEJVSSKI-UHFFFAOYSA-N 472.536 5.237 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1cccc(Br)c1)[n+]1ccc2c(c1)CCCC2 917613004 JGDVPBYANWLLAO-UHFFFAOYSA-O 491.434 5.810 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N([C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917660754 LLGUGIVPCWMBBG-SDHOMARFSA-N 490.673 5.199 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccccc2F)n1 917663680 XISKYBPZZWNSPD-NRFANRHFSA-N 497.983 5.046 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)c(C)c1 917674008 LVXSTOVZSWZEPU-QHCPKHFHSA-N 476.577 5.306 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc2ccccc2c1 917699298 APEXAHWLFRKDNC-XMMPIXPASA-N 489.597 5.039 30 20 JKED COc1cccc(CN2CCC(NC(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 918652619 AFGUOCIRKXFGMB-UHFFFAOYSA-N 457.599 5.112 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 919904796 SUAIMGMNRYGUKF-VWLOTQADSA-N 493.529 6.231 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 919931742 QECIZGAJWWUNST-ITGUQSILSA-N 473.339 5.530 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CSc3ccc(Br)cc3C2=O)cs1 920069596 VNEISPLLXFAMJU-DHDCSXOGSA-N 485.428 6.271 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)cc1 920142524 KXKQCQMURCFDNF-GOSISDBHSA-N 463.444 5.376 30 20 JKED Cc1occc1-c1nn(CN2CCCN(c3ccccc3C#N)CC2)c(=S)n1Cc1ccccc1 921030895 VPSJUILDSUDNBA-UHFFFAOYSA-N 484.629 5.072 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cccnc2SCc2c(C)noc2C)c1 924594942 JULDASHGVPUNEU-FQEVSTJZSA-N 492.601 5.088 30 20 JKED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2Oc2cccc3ccccc23)C1 1781176535 QEUQAFQIKZRHBJ-POURPWNDSA-N 497.595 5.063 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ncc(Cl)cc3Cl)cc2)CCC1 1785790915 QOZOHTQBBLCXNB-UHFFFAOYSA-N 454.304 5.348 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCc5ccccc5[C@@H]4O)cc3)CCC2)c1 1786176106 XIXHLJQWSHWQPV-ANFLZCCJSA-N 493.607 5.357 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3N3CCCCC3)CCC2)cc1 1786374457 YBAXTAUTSPHGCL-OAQYLSRUSA-N 461.606 5.016 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)C34CC(C(F)(F)F)(C3)C4)cc2)CCC1 1786463982 KCSHLIPLSIAQKC-CMDGGOBGSA-N 488.531 5.354 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)CCCOc4ccc(Cl)cc4)cc3)CCC2)c1 1786697228 SGWFYSXORZRCHL-UHFFFAOYSA-N 476.964 5.147 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3sc(C)nc3C)cc2)CCC1)c1ccc(O)cc1 1787336326 WYVXNVMDLQBAJS-NRFANRHFSA-N 487.625 5.410 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cs1 1787528586 BBHGCHGDKQKZHY-UHFFFAOYSA-N 474.586 5.172 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)cc3)CCC2)cc1 1789515291 BMRMKZDUVPMFFN-UZWMFBFFSA-N 499.590 5.107 30 20 JKED CCSc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1790210124 DBNJUWIPPSEDKG-UHFFFAOYSA-N 456.571 5.127 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCC1 1790650183 LEALEALXESOEFM-UHFFFAOYSA-N 492.469 5.102 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791441408 GGOHZIFVLLEJED-JCUDRXCFSA-N 495.664 5.226 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3sc(Br)nc3C)CCC2)cc1 1791727543 WTRKLWWFYVJDAC-UHFFFAOYSA-N 474.424 5.155 30 20 JKED C/C(=C\c1cccnc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791855389 IRDPWMSUDUSMJH-ICFXLVBESA-N 464.569 5.560 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5[nH]ccc5n4)CCC3)cc2)cc1C#N 1792168474 FPQIGTVNTZWZEX-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1798333863 IKYRJEDVXWDTGO-ZFFYZDHPSA-N 467.613 5.627 30 20 JKED C=CC[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(C)(C)CC1)NC(=O)OC(C)(C)C 1800233998 UEYNNEOOZUBCII-GPJHCHHRSA-N 489.701 5.091 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803988548 HNQHRBGFWZSPKW-MOUZIVPDSA-N 479.587 5.449 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC3(CCCN(C(=O)C(C)(C)C#N)C3)CC2)cc1Cl 1805045633 AHVHQAAQXOWYIY-UHFFFAOYSA-N 480.436 5.175 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1808852761 OMEKEGYSOIHCDH-QSAZIKIQSA-N 499.036 5.070 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)C1 1809507762 DUCBMYLJSPOYFD-UHFFFAOYSA-N 456.030 5.149 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1809846870 HUCHTYLPRFJDLV-DVECYGJZSA-N 479.621 5.747 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1810500609 UQBVQKDIPGBUGQ-BKMJKUGQSA-N 470.617 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1810504396 YRNDFYVFLCFRGJ-ILBGXUMGSA-N 477.649 5.571 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3CSc3ccccc3)[C@@H]2c2cccnc2)C1 1811689234 IOPMMZQIXJKINU-FIPFOOKPSA-N 497.664 5.660 30 20 JKED CCCCCc1cccc(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)c1 1811792814 MGYUIFPEBGGSHG-MFMCTBQISA-N 494.639 5.248 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(F)c2)[C@H]1c1cccnc1)c1ccccc1 1811810439 PUBFXHQLXFZFOV-FULLSBAXSA-N 483.587 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)c1 1811938142 ZZIHOUNOZGOBFB-NTKDMRAZSA-N 486.622 5.171 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3c(Cl)cccc3Cl)[C@@H]2c2cccnc2)c1 1811940115 UGFSWQOBHZULQG-YADARESESA-N 493.394 5.202 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1811952116 UTWAWPAFIBSFRO-LMSSTIIKSA-N 480.612 5.029 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)cc1 1811954160 WGTARWGLXCVEFG-ZNIUSCDDSA-N 487.625 5.025 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)N(CC)CC)[C@@H]1c1cccnc1 1812425581 VNXFBDKKZXYWLJ-PVHODMMVSA-N 490.692 5.163 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1812961478 MEBQNGCAQDHPSQ-AYRHNUGRSA-N 479.640 5.659 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccccc4)CCC3)[C@@H]2c2cccnc2)c1Cl 1812994310 XLRJNRLTDKJLRT-GJZUVCINSA-N 499.014 5.048 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)s1 1813374533 VSFOTDGAXXTZLI-FIKTXETRSA-N 484.625 5.112 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c1 1813869470 HLKJELGDDMBDEO-SAQVGAHLSA-N 490.966 5.135 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@H]2c2cccnc2)cc1 1813954346 CDBTVPDMAKCNSH-FQLXRVMXSA-N 486.575 5.254 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)[nH]n2)C1 1814396769 JICOWJGSHOEEEG-OAQYLSRUSA-N 469.545 5.423 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)[nH]n2)C1 1814397725 WCMAZBIDNWZGMG-IERDGZPVSA-N 474.527 5.277 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)[nH]n1 1814829065 KJMCGVYORHYTNT-JOCHJYFZSA-N 478.984 5.081 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(C(C)=O)cc2)n[nH]1 1814960377 WOOCJKUOLGFYHN-XMMPIXPASA-N 494.636 5.456 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815533217 GSPXGFKKARNYRN-JBVUFVISSA-N 478.540 5.053 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(Cl)s3)n[nH]2)c1 1815732562 VMBRQHXOOAQQLN-YWZLYKJASA-N 482.009 5.300 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3sc(-c4ccccn4)nc3C)sc2C1 1817400593 VRUHCZWUKQCDKZ-MRXNPFEDSA-N 495.674 5.188 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114336 UKKWXJNJADOORS-GNISGLHKSA-N 482.993 5.178 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc[nH]c3c2)n[nH]1 1818487298 DHPSUSFESFJJLK-HSZRJFAPSA-N 475.669 5.248 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593516 VFQUEJOZHJWVCD-GOSISDBHSA-N 461.900 5.062 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3sc4ccccc4c3Cl)n[nH]2)C1 1818605507 KKPROWVGXIFXQQ-KRWDZBQOSA-N 454.983 5.550 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)c2[nH]1 1818653145 ZGICXUIEOJYJRO-QFIPXVFZSA-N 486.963 5.344 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1 1818808392 XNIKGSNLDLGUSP-ONTIZHBOSA-N 499.656 5.008 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)[nH]n2)c1Cl 1820218952 ICLRTUNWQOQPAR-OAQYLSRUSA-N 472.936 5.036 30 20 JKED CCCCCc1cccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)c1 1820712986 MCFMTVQABXGTAH-LBYSXPAKSA-N 489.620 5.089 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1)c1ccc(O)cc1 1820807497 KUDLOBYEMHTMQO-URXFXBBRSA-N 462.594 5.051 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)cc1Cl 1821270726 CINFWPKKKJVDKB-NRFANRHFSA-N 465.916 5.002 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CC=CCC1 1821310500 ADCZVSWPWRCFAW-GBXCKJPGSA-N 485.510 5.352 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)[nH]n1)c1ccc(Cl)cc1 1821857474 XGNXPTSKQYYUOP-JTHBVZDNSA-N 478.984 5.009 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)c(Cl)c1 1822023572 YGNGPCVWJDFOPE-WHEACTPUSA-N 465.985 5.067 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 1822251842 LTRXMIPAUYKIKE-LDBRAYGESA-N 485.426 5.180 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(F)c(C(F)(F)F)c1 1823298231 FYTNTFDMGIEEGS-MRXNPFEDSA-N 494.411 5.606 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1)C(F)(F)F 1823303864 BMARMUWHUVWDGM-OAHLLOKOSA-N 479.261 5.280 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1823886668 MPBDOKBJLSKLDZ-IBGZPJMESA-N 469.935 5.142 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1824050498 AQHBXMRPTHPMFY-OZNIXHKMSA-N 487.619 5.053 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1 1824054546 ZHQBBUPFCVZYJL-MUUNZHRXSA-N 487.644 5.213 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)CCCC3=O)CC1 1824142513 UYRUAOJDUHPTPR-SANMLTNESA-N 462.634 5.207 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)Sc3ccccc3)CC2)c1 1824392773 UBWNIFZXROZOHW-HFZDXXHNSA-N 475.658 5.281 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnccc2C)CC1)c1ccccc1 1825222752 FBMATCZKXUUDPS-FQLXRVMXSA-N 485.672 5.140 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1827173978 XMLRDLNJEAONFE-MHZLTWQESA-N 486.591 5.045 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1828422824 VWNWFSUOBHHFGH-CPJSRVTESA-N 488.619 5.021 30 20 JKED CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCC1 1828478331 PEIRUEVLYWYZEO-QFIPXVFZSA-N 475.555 5.391 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 1828821677 PNJFUPKYBWUIMJ-FXVJXKIMSA-N 464.650 5.079 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701166 LRUCQBINVYLFCY-ZJSXRUAMSA-N 469.025 6.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830442694 YNDBTFQYWHKIQQ-SQHAQQRYSA-N 482.640 5.616 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830494408 XQYANJRROYTSDF-RRPNLBNLSA-N 490.644 5.285 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1830717964 BEQHKDGEQVAPFR-XMMPIXPASA-N 493.966 5.644 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)cc(C(F)(F)F)c1 1830756759 VEEFVBWSWNMNAF-LJQANCHMSA-N 493.913 5.371 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1831373236 AGQRYSOTXAUGGX-UGKGYDQZSA-N 451.636 5.256 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1831441747 DKSCVGFPBLEWOR-NAKRPHOHSA-N 498.614 5.533 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1831446882 UACCLTLMQNSSAQ-JOCHJYFZSA-N 495.570 5.668 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831851750 VMZBSGMFOMOPMC-MHZLTWQESA-N 481.640 5.643 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2Cl)CC1)c1ccc(O)cc1 1831925951 LVHSOXDVASICHM-ZJSXRUAMSA-N 483.008 5.069 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831970223 LVXJNSMTFSZXMZ-FACVGWQGSA-N 493.511 5.036 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1 1832566974 VFGIUOQPORKZTF-RPBOFIJWSA-N 497.680 5.006 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1F 1832616356 LXUOZKICIDRPLC-NTKDMRAZSA-N 479.571 5.447 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccco4)no3)CC2)c1 1832630423 HYHSEZVHAIEMQT-DVECYGJZSA-N 486.572 5.109 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1832632807 CJZQUOHAKJEDFK-BCHFMIIMSA-N 489.019 5.386 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832706928 XVIWZAAYSBDZGC-IBGZPJMESA-N 476.461 5.289 30 20 JKED CC(C)[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc([C@@H](C)C#N)c2)C1)c1ccc(Cl)cc1 1846825040 DFWOYAKLEFLRBP-CYFREDJKSA-N 464.009 5.224 30 20 JKED C[C@@H](C#N)SC1=N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)F)cc1 9031586 NBTRKMLRWDUBGH-FQKVVYMKSA-N 468.312 5.984 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1Cl)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)c(F)c1 10826605 OJFBHQLTKHKGCO-UHFFFAOYSA-O 493.986 6.547 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)c(Cl)c2)c1 11158921 OXZMCYBHLHHWQA-UHFFFAOYSA-O 452.333 5.918 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 11259572 COIYKSIEFWJGNW-UHFFFAOYSA-O 481.641 6.241 30 20 JKED Cc1ccccc1-c1cc(C(=O)OCC(=O)Nc2ccccc2SCC#N)c2cnn(C(C)C)c2n1 14362389 LUXPITVASNIBBT-UHFFFAOYSA-N 499.596 5.399 30 20 JKED N#CCc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)cc1 15030087 ZNXMQQFEURTLFS-UHFFFAOYSA-N 460.342 5.113 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)n1CCc1ccccc1 15089309 AFRSTRYOUDTYBS-HXUWFJFHSA-N 489.645 5.020 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1cccnc1 18405347 WWHHIQUGVSLWED-LBPRGKRZSA-N 467.904 5.318 30 20 JKED Cc1cccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2c[nH]c3ccccc23)c1 20044784 XYABCEDQBHAOBP-UHFFFAOYSA-N 478.581 5.521 30 20 JKED C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)N(CCC#N)c1ccccc1 21683184 UAAAYOBIKVUGOC-AWEZNQCLSA-N 461.037 5.744 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3csc(-c4ccc(C(C)C)cc4)n3)n2)n[nH]c1=S 23041952 BBYHULVLWFHFTF-UHFFFAOYSA-N 482.660 5.673 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 23601816 IJYYCMBHKSWVDU-AWEZNQCLSA-N 464.616 5.053 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 24096363 TVCCCKLLZHKIFX-SFHVURJKSA-N 451.548 5.095 30 20 JKED CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)cc1 24719832 RFBRECPNBVQUGZ-UHFFFAOYSA-N 496.592 5.217 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCc3sccc3C2)nc2cc(-c3ccccc3)sc2c1=O 25405493 GPGJTUXRSXNGEH-MRXNPFEDSA-N 493.679 5.438 30 20 JKED Cc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c2cnn(Cc3cccs3)c2n1 106297834 QRGACDWGRSFVFE-UHFFFAOYSA-N 479.565 5.553 30 20 JKED C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1 195664664 OCXFWCOTGRNZDX-GFCCVEGCSA-N 475.364 5.462 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1)c1ccc(F)cc1F 208894727 FAQWZCMNRXTMAN-DAXSKMNVSA-N 463.849 5.564 30 20 JKED COc1ccc(-n2cnnc2SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 302947719 NCCJLLDNNRTTNT-JOCHJYFZSA-N 489.988 5.316 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 483609234 BCOBRNGWKPDEDN-UHFFFAOYSA-N 485.547 5.391 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)Cn4cnc([N+](=O)[O-])c4)c3C#N)C(C)(C)C2)o1 498130726 GZCMHPLNCQKRML-ALCCZGGFSA-N 463.519 5.043 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 498381656 GQSVAVSLOGCVGX-GOSISDBHSA-N 483.037 5.079 30 20 JKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 498719120 WQPYLBHHGJHQLV-UHFFFAOYSA-N 461.521 5.950 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 499571536 FCZUFZMOXQBMIX-SNVBAGLBSA-N 482.274 5.693 30 20 JKED CN(Cc1ccccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)C1CCCCC1 501117288 IHFMDWQNYAMNFZ-UHFFFAOYSA-N 482.632 5.225 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 501762952 DGAHYVHRMAKKQY-UHFFFAOYSA-N 453.523 5.703 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1)c1ccccc1 502056984 WPVDWOPRLCZHLW-AREMUKBSSA-N 497.664 5.765 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nc2ccccc2c1=O 503205371 CNAKJJVCLDLICH-MRXNPFEDSA-N 490.610 5.016 30 20 JKED N#Cc1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 505023401 GWDVCKREVHYMJC-HXUWFJFHSA-N 471.504 5.455 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1 509773090 NCMHUHGQFSAPTD-UHFFFAOYSA-N 460.961 5.269 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 510196821 IJKFSCDCVKJIOT-HXUWFJFHSA-N 454.599 6.161 30 20 JKED N#Cc1c(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)sc2c1CCCC2 512383903 HAPUIQYSVIPEEP-UHFFFAOYSA-N 455.539 5.678 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1nc2ccccc2s1 513671694 LAHJTTMJMXCFHQ-IBGZPJMESA-N 490.382 5.730 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc2ccccc2s1 513677159 RMBALVPKMHPHMO-INIZCTEOSA-N 453.317 5.721 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)n2CC(C)C)cc1 514954566 BUXCWCHMBWDKKB-SFHVURJKSA-N 481.597 5.176 30 20 JKED COc1ccc([C@H](NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)C2CC2)cc1 515179497 DSQQTFBAIONRGQ-RUZDIDTESA-N 459.571 5.070 30 20 JKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 515543184 NJFLRIVICZWPGJ-HXUWFJFHSA-N 454.511 5.820 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCCN(CC4CCCCC4)CC3)c2)cc1 515795372 NZRDCVTZJVWCQZ-UHFFFAOYSA-N 460.622 5.452 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cccc(NC(=O)CCCc4cccs4)c3)n2)cc1 516071651 NUQRCGUETKVOIF-UHFFFAOYSA-N 472.595 5.957 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1Cl 516446558 ZSKHXRVYINMHPK-DEOSSOPVSA-N 473.960 5.046 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(OCC(F)(F)F)cc1 516756818 DBEHFNYLZWZAJK-GOSISDBHSA-N 483.490 6.155 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 518533889 DQINCOFWXKYNHO-UHFFFAOYSA-N 488.975 5.274 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 518683568 YEAWKSJRZWLLFI-FOIQADDNSA-N 466.607 6.400 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)O[C@H](C)C2 519384307 MZCFQWZEFMLXRT-WMEMMNBJSA-N 497.595 5.731 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(Br)cc1 519947877 PNNAKPQHNXPNNF-QFIPXVFZSA-N 454.755 5.292 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 520191633 KQIOCRSYQDAZLL-NCOGPRPNSA-N 481.621 5.433 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2cccnc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 520431282 CXJCCUPYSQWMRE-IBGZPJMESA-N 466.349 6.794 30 20 JKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OC 521416582 BAWCTURXXHHQJT-AREMUKBSSA-N 471.601 5.788 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](c3ccccc3)C3CCCC3)c2)c1 521518196 GFODQBGJWUHVBK-AREMUKBSSA-N 453.542 5.123 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1cc(-c2ccncc2)ccc1C 523244727 CXTZPLXFESDIOF-UHFFFAOYSA-N 482.353 5.112 30 20 JKED Cc1csc(Sc2ccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc2Cl)n1 524228785 UYZYXOLWHOHNKS-UHFFFAOYSA-N 492.047 5.586 30 20 JKED Cc1sc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nc1-c1cccc(Cl)c1 548803948 YHSNNHDKQDGQOS-UHFFFAOYSA-N 459.980 5.102 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC(=O)c4ccoc4)cc3C(F)(F)F)o2)cc1 551661017 AYMOLBJOUHCUFZ-UHFFFAOYSA-N 495.413 5.847 30 20 JKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 588820257 PTGWTSLDQZBEMG-UHFFFAOYSA-N 485.319 5.351 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)n1 598661972 QTCBWXFPLJPGER-HNNXBMFYSA-N 459.497 5.202 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(NC(=O)c2ccccc2)c1 603691657 LHASNOMPFRLTQB-IBGZPJMESA-N 477.524 5.881 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 604003110 CFFDKPHKPQOIFA-UHFFFAOYSA-N 473.532 6.035 30 20 JKED Cc1c(NCc2ccccc2C#N)cccc1NC(=O)c1ccccc1I 604010859 GPLRCRZMKWEKFS-UHFFFAOYSA-N 467.310 5.336 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1Cl 604137802 RUAARROLJPUYSE-IBGZPJMESA-N 489.856 5.408 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c3cnn(C(C)C)c3n2)c(C)o1 604234751 QMLXGSRRZGJLRV-UHFFFAOYSA-N 492.539 6.200 30 20 JKED C=CCOc1c(Br)cc(/C=C\c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1OCC 608801194 NTVRIELGTLEDON-TWGQIWQCSA-N 485.334 5.018 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 608994777 UTHOGPTZBQIKAT-UHFFFAOYSA-N 455.562 5.121 30 20 JKED N#C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccc(OCc2ccccc2)cc1 609174098 GYZVLFZTBUYUOH-FQEVSTJZSA-N 480.014 6.028 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 609398784 QLUIWWYRMQQUSJ-QGZVFWFLSA-N 462.541 5.307 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccccc3Oc3cccc(F)c3)c2)c1 609405210 QGBZQYQKWUPHML-UHFFFAOYSA-N 495.510 5.324 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403030 BCMCXIWLXNUNTH-INIZCTEOSA-N 487.528 6.702 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)no1 613403904 IEJDUKRTTGDODU-CQSZACIVSA-N 458.421 5.076 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccccc1C(F)(F)F)C1CC1 616090142 MCDGNBOTVDHFLL-WDNDVIMCSA-N 476.383 6.289 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618543155 OHOVFJFWSVHVEJ-HTQZYQBOSA-N 472.279 5.484 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3occc3CSc3ccccc3)s2)cc1 619126717 IRSMPDZYAZVIOY-UHFFFAOYSA-N 464.597 5.840 30 20 JKED O=C(NCCc1nc(C(F)(F)F)cs1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 622402215 PDNOMILMNPAUPB-UHFFFAOYSA-N 462.390 5.959 30 20 JKED CC(C)c1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 642161204 CCDORKDBOBRDMX-NHAGDIPZSA-N 465.413 5.774 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1Br 642282120 MQHOKKCECKVJHA-NSHDSACASA-N 485.281 5.585 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc12 642282402 OQKXWWHPOCNRIH-LLVKDONJSA-N 459.250 5.174 30 20 JKED Cc1csc([C@](O)(CC(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)C(F)(F)F)n1 725928640 BRNPBODSWHQOTF-HSZRJFAPSA-N 474.504 5.035 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 726412274 NEAMOYKJKXXOGL-HSZRJFAPSA-N 457.555 5.038 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)Cc1ccco1)c1cccs1 726415213 FXZAVWXKNOKWOO-PLCKBMQTSA-N 481.643 5.040 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@H](C)c1cccs1 726422453 WDJAAHVBFPDVLQ-SPXBZFAHSA-N 483.581 5.813 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2Br)[n+]2ccc(CCC)cc2)c1 726573822 RKFPCTIBXMUESQ-UHFFFAOYSA-O 478.435 5.994 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 726725605 ABQSXBZWWPLXFV-BJKOFHAPSA-N 479.502 5.813 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccn3Cc3ccncc3)s2)c(C(F)(F)F)c1 726981203 NUDKWDDDOBWEQZ-UHFFFAOYSA-N 467.476 5.121 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727232931 AQQVLOZREWDIOP-WMZOPIPTSA-N 468.431 5.613 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2C)c1C 727252908 SYIBWIRISUKEGY-XMMPIXPASA-N 489.645 5.297 30 20 JKED CC(=O)Nc1ccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 727978697 LHNZTHQKWITSOX-UHFFFAOYSA-N 450.951 5.558 30 20 JKED CCOc1ccc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c2C)cc1 728704872 OEIOUVSVSLUDCE-UHFFFAOYSA-N 459.933 5.216 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 728776055 HKHTYPLGJBXCMT-IBGZPJMESA-N 475.401 5.648 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1 728778682 FENDXIULCTZHSO-NRFANRHFSA-N 485.009 5.311 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 731067739 GIBDTXJFCYSODI-CQSZACIVSA-N 471.991 5.511 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 731114233 KQGXXQVYXMRWAH-KZNAEPCWSA-N 456.587 5.013 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C[C@H]1CCOc2ccccc21 731153046 WNAWUYZKXFRGHC-NLFFAJNJSA-N 496.592 5.085 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccn2)c(Cl)c1 731309776 WHMNFLNWBSOVJC-NRFANRHFSA-N 495.004 5.218 30 20 JKED COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1OC 731319895 SDHXJSOQWXOFRP-PKNBQFBNSA-N 495.959 5.588 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)S1 733780751 WTBHUYJTHUUJPB-MOSHPQCFSA-N 492.617 6.026 30 20 JKED Cc1cc(COc2ccc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)cc2Br)on1 743469631 QZLCVUBHDOFKBI-INIZCTEOSA-N 473.298 5.003 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 748988411 KCJIPJHESHVOHG-QFIPXVFZSA-N 491.389 5.563 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2ccc(Br)o2)n(C2CCCCC2)c1C 757996359 GXTCBWYHNSKQME-LUAWRHEFSA-N 474.355 5.032 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CC(F)(F)F)C2=O)c1 799221594 QNDPKLBSYZWEDM-QGZVFWFLSA-N 469.916 5.479 30 20 JKED COc1ccc(-c2nc(S[C@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)nc(O)c2C#N)cc1 802831253 NHJJRVSKZOVUAU-DEOSSOPVSA-N 498.564 5.210 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1sc(NC(=O)c2ccco2)cc1C 812001299 IQEIYXPNUQBBNI-UHFFFAOYSA-N 475.320 5.154 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@H](C)c3ccccn3)C2=O)c1 837301725 GNDAJBRWPPJTEC-WZONZLPQSA-N 476.577 5.559 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@H](C)c3cccnc3)C2=O)c1 837301922 LKKPDJHYJCOPOP-WZONZLPQSA-N 476.577 5.559 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@H](C)CCc2ccco2)C1=O 837302186 SYISWSNGAVVQKX-HXOBKFHXSA-N 495.576 5.409 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N([C@H](C)c3cccnc3)C2=O)c1 837427204 NZPQMIFVZQFLHZ-NTKDMRAZSA-N 488.613 5.429 30 20 JKED CC(C)(C)OC(=O)N1CCOc2cc(NCc3cc(C#N)ccc3Br)ccc2C1 864040374 AYMZBTNJABWBEN-UHFFFAOYSA-N 458.356 5.062 30 20 JKED CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(COc4ccc(C#N)cc4)o3)n2)CCCC1 904416190 LNJIXAZDPDHAKT-UHFFFAOYSA-N 450.495 5.074 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccccc2OCc2ccccc2)no1 904464867 IJOBOZJOXFFSHX-LJQANCHMSA-N 455.942 6.024 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2cccc(OC)c2)c1 914280648 XGKTZIKTSIVAHU-SFHVURJKSA-N 485.005 5.221 30 20 JKED CS(=O)(=O)c1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1Cl 915656094 BGBNHCPCUYQHMZ-SFHVURJKSA-N 459.354 5.305 30 20 JKED O=C1/C(=C/c2csc(-c3ccccn3)n2)CSC/C1=C/c1csc(-c2ccccn2)n1 915985673 OVPYUQDHFSFMFY-CKOAPEAFSA-N 460.609 5.507 30 20 JKED CCOc1ccc(N2C(=S)N[C@@H](c3ccc(C#N)cc3)C(C(=O)Nc3ccc(F)cc3)=C2C)cc1 916170740 SVWYPIDFVSZWRW-VWLOTQADSA-N 486.572 5.445 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)cc1 916212132 UKDWQFDTEUNPHP-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)o2)cc1 916887431 OIYWZAUMMHWBGR-GOSISDBHSA-N 455.486 5.245 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cc1sc(C)nc1-c1cccs1 916901502 JLOQHSGUKRPTKK-ZDUSSCGKSA-N 459.980 5.041 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc(C3CC3)nc21 916907396 YLEBFEDRISCBGM-OAQYLSRUSA-N 479.540 5.643 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 916914882 XIPOLAUPNSFPGG-NRFANRHFSA-N 469.545 5.576 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 916924892 WUBQRAVIGSAFEW-MRXNPFEDSA-N 478.961 5.409 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 917507180 QQHXRDNWNZDHNI-CQSZACIVSA-N 474.357 5.051 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2ccc(C#N)cc2)C1=O 917674430 QAEKVKGYDWNQFW-VWLOTQADSA-N 498.608 5.344 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@@H]1CCN2CCC[C@H]2C1 917687839 WPKBAIKKNQUJGA-JBRSBNLGSA-N 490.673 5.145 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 917701396 SNMMQBPETSXFON-DEOSSOPVSA-N 466.566 5.395 30 20 JKED CCCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@H](C)c1cc2ccccc2o1 919775125 XEELCQNOFMLODX-BDXFJIPASA-N 482.606 5.251 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)o2)c(C)c1 920109343 DHNPCPNEUGMDQZ-KRWDZBQOSA-N 457.313 5.743 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nccn3-c3cc(C)cc(C)c3)n2)cc1 920142098 KAUGBJGPKXVNOF-NRFANRHFSA-N 474.611 5.590 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCO[C@H]2c2ccccc2)C1=O)Nc1ccccc1 920356351 SVJRCXSFFZGTQC-PWMMPXSUSA-N 499.636 5.815 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C(C)C)c2)no1 920359717 QGTLCFBQRDLYAD-QFIPXVFZSA-N 462.575 5.267 30 20 JKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(C#N)cc5)cc4)CCC3)c2s1 1785881491 BHURWDMGXRROOY-UHFFFAOYSA-N 480.593 5.467 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)C[C@@H](C)CC)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1786259678 YTBALNCMUOYYFW-AVRDEDQJSA-N 469.626 5.122 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)(C)C)oc3C)CCC2)cc1 1786364517 MSTFIZPSOPALJX-UHFFFAOYSA-N 452.595 5.616 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1786367027 SMVMNIVYLYVYFU-UHFFFAOYSA-N 475.614 5.541 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1OC 1786578092 DEKXAYXLNGYYCO-UHFFFAOYSA-N 497.595 5.150 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)F)c4)cc3)CCC2)ccc1F 1787018785 PLOLGSWYBWVFNQ-UHFFFAOYSA-N 478.474 5.020 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ccccc4c3Br)CCC2)cc1 1787888892 LYNPCFLYMOZXKJ-UHFFFAOYSA-N 476.374 5.654 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1 1788649295 IGTLWFGAWZPKNC-FDMDGMSGSA-N 458.530 5.057 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1788879770 CSRKVGRDKUFQDL-IBGZPJMESA-N 499.995 5.246 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CCC1 1789905251 LXGDHDGMURFHLO-AFUMVMLFSA-N 479.433 5.274 30 20 JKED COc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1789932480 NNJFDOZLHRWUIX-UHFFFAOYSA-N 465.962 5.343 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)ccc5[nH]4)CCC3)cc2)c1 1790257239 NGCGENRJLDOHCO-UHFFFAOYSA-N 452.489 5.240 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CC45CCCN4CCC5)cc3)CCC2)c1 1790459660 LPJHVRYSJOKVEE-OAQYLSRUSA-N 470.617 5.080 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](O)c4ccccc4)CCC3)cc2)cc(C(F)(F)F)c1 1790785163 QSVKATJSHMINCZ-HSZRJFAPSA-N 493.485 5.058 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)ccnc4Cl)CCC3)cc2)c1 1790796739 GCOQMHCCVBNDAB-UHFFFAOYSA-N 462.912 5.116 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4c(Cl)cccc34)cc2)CCC1)C(F)(F)F 1790846305 JQCFDKWCWYSWCS-UHFFFAOYSA-N 462.859 5.083 30 20 JKED Cn1cc2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5Cl)CCC4)cc3)ccc2n1 1790855987 XHRAWDXCZXTLIN-UHFFFAOYSA-N 483.959 5.160 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H](C)CCCN3C(=O)OCc3ccccc3)CCC2)cc1 1791587890 RZZVSQNYIUQDGX-QFQXNSOFSA-N 489.616 5.134 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccn5cn4)CCC3)cc2)c1 1792123542 HVMFAVBDOYNUOA-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(Br)cc1F)C2 1792575097 VFTBHQCUTBWSBK-ACDBMABISA-N 479.434 5.151 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2ccccc2)cc1 1799551180 BHBYFWZKYBKMQQ-BKFWDETESA-N 465.553 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 1802065496 JEPJBRFPDOKWNO-WIYBCGNWSA-N 473.455 5.183 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[C@@H]2c2cccnc2)C1 1802414107 WUDKYAYCMLNPNO-JIPXPUAJSA-N 480.568 5.109 30 20 JKED Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)C2)cc1Cl 1805083546 UHHQFMYIBBMPMD-FQEVSTJZSA-N 464.009 5.434 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)C)c(Cl)c3)CC2)C1 1805457818 YVBFQTWXDGBCHE-UHFFFAOYSA-N 473.057 5.740 30 20 JKED Cc1sc(-c2ccccc2)nc1CC(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 1806897919 JMCWYLZFDKPMQO-UHFFFAOYSA-N 498.652 5.078 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(F)c2)[C@H]1c1cccnc1 1807878790 CYOOHLUEBGAEFH-UFHPHHKVSA-N 498.602 5.371 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1808703728 KAUNEXCXFWVACD-KNQAVFIVSA-N 475.511 5.090 30 20 JKED Cc1cc2cccc(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)c2[nH]1 1809272537 GZFMEYFDUSUIEK-LVXARBLLSA-N 497.986 5.030 30 20 JKED Cc1c(C(=O)N2CCCC3(CCN(C(=O)c4ccc(CC#N)cc4)CC3)C2)[nH]c2c(Cl)cccc12 1810731783 NAILGRPKCNWJLI-UHFFFAOYSA-N 489.019 5.354 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c1Cl 1811423496 AOMXQOGLVFWRNU-UZUQRXQVSA-N 497.357 5.033 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CC3CCC(C)(C)CC3)[C@@H]2c2cccnc2)c1 1811939122 FFIZNBONKAPTLN-RPLLCQBOSA-N 472.633 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nscc23)[C@H]1c1cccnc1 1812213724 CWEWFARWOYHGSW-WMZHIEFXSA-N 462.619 5.003 30 20 JKED Cc1ccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4)[C@@H]3c3cccnc3)sc2c1 1812221795 WVMLIEWLVQRGPX-ZEQKJWHPSA-N 480.593 5.110 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812584962 XKQUFUISMODVOL-UOYQKJQJSA-N 468.041 5.393 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814379704 NPVPNIJUDFJZLN-HXUWFJFHSA-N 499.493 5.140 30 20 JKED Cc1c(Cl)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1814599707 QZGHQCFLPATLEH-JOCHJYFZSA-N 461.953 5.057 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)sc2C1 1814711595 QEROZZFPLAHYHM-WJNZCMKWSA-N 490.673 5.202 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1815209420 WHAOARDODVEUPH-AREMUKBSSA-N 488.632 5.479 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(C(F)(F)F)CC2)n[nH]1 1815523910 BGEPEUQYKJHHKO-QQGUTBHFSA-N 466.548 5.539 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3cc(Cl)ccc23)n[nH]1 1819163711 QLPADJGRHWFXLP-IBGZPJMESA-N 468.989 5.238 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c1Cl 1820217115 CGKAPAYDGSDIKJ-LJQANCHMSA-N 486.334 5.347 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1820645520 UUQGTGQEUUFWQH-QHCPKHFHSA-N 491.979 5.343 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1 1820910477 ISQKSGNOSYDGAJ-BKCZMFJTSA-N 499.656 5.008 30 20 JKED COc1c(C)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1C 1821229865 WTQORXNGAFKGIZ-OAQYLSRUSA-N 491.979 5.180 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)cc(OC(F)(F)F)c3)n[nH]2)C1 1821361316 VTOCVOISUKBHSW-GOSISDBHSA-N 482.890 5.234 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(Br)cc2F)[nH]n1 1821926585 SMAMHSVNPIKUGS-MGPUTAFESA-N 491.405 5.148 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1821986996 YNTKOGAXRBHQDY-GOSISDBHSA-N 461.900 5.062 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)[nH]n1 1822403356 DJFJFMBNFLBDRF-FQEVSTJZSA-N 481.597 5.256 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823214618 GWZOZVSRMVIWTO-LLCJOVMTSA-N 471.561 5.348 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2OC)n[nH]1 1823255346 RRKJFLDCZQNAER-JXFKEZNVSA-N 456.974 5.146 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n[nH]1 1823295323 GBIOWYGSHZXIBQ-UGSOOPFHSA-N 452.452 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823505152 WRAWTULSIAIBIY-IWGBCORSSA-N 465.554 5.016 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824953679 UZAANPAVVBUUNR-AHKZPQOWSA-N 474.645 5.607 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)s3)CC2)c1 1825353112 SHYBUEWKDCKSSS-UWJYYQICSA-N 453.583 5.061 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1825541103 CCKCZCLKBFUXLY-PZJWPPBQSA-N 495.998 5.338 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1826312983 WDONUDGAPBODOD-VPUSJEBWSA-N 475.608 5.053 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1827793244 INZZDSIRCCSAQX-MUUNZHRXSA-N 492.623 5.362 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c1Cl 1828132290 HNJLAIWWLYACFE-OAQYLSRUSA-N 493.032 5.368 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 1828828606 NJHOYELTONAICN-BDYUSTAISA-N 459.634 5.545 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2nc(C)sc2C)CC1)c1ccccc1 1829029488 BMWRUZBLUGGYRV-BDYUSTAISA-N 491.701 5.119 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)c1 1829959404 SBERTCQHKJNGIL-QHCPKHFHSA-N 487.497 5.263 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1830633803 YILGCDSKEQOSIS-HHHXNRCGSA-N 496.611 5.079 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)c1 1830717702 ZCFGPHHFTCEXOB-PXDATVDWSA-N 494.010 5.314 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830731038 OJAURKNMTDQCEH-QUCCMNQESA-N 475.457 5.320 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1830780427 LMSVUBWOLJLRMR-UIOOFZCWSA-N 493.648 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(O)nn3)cc2)CC1 1830794481 AEHDAMZEFKKKEB-VWLOTQADSA-N 490.648 5.075 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)CC2)cc1 1831018925 CTLBCGRZWWDQFE-SANMLTNESA-N 487.003 5.307 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831238831 FIKXCVXQYSQILS-OAQYLSRUSA-N 464.437 5.095 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1831376367 PSUXQWUAJBJLMS-KKSFZXQISA-N 454.508 5.290 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1)C(F)(F)F 1831455336 JLAXKQROCBSDOX-LJQANCHMSA-N 476.461 5.366 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)CC1 1831860692 WXJZKTAOQAPZET-LJQANCHMSA-N 458.908 5.048 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 1832024700 CWBQERVABIKVSX-QFIPXVFZSA-N 477.418 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1832056781 TVRXXGLYVQXDPH-IARZGTGTSA-N 477.693 5.039 30 20 JKED CC/C=C(\C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1832519457 DCPAEKUBKRKJNX-PIMOAMBUSA-N 461.528 5.167 30 20 JKED COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1C 1832538737 HGEYBJSQXBDHNW-QHCPKHFHSA-N 480.008 5.076 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)c1 1832610849 UUSVNKRQYOLHMV-VWLOTQADSA-N 481.999 5.135 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C)c(F)c3F)CC2)c1 1832616607 IBHMSNNOKASEGI-QHCPKHFHSA-N 465.544 5.000 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)c1 1832634552 WRWFIELOKGNEPD-JTSKRJEESA-N 453.970 5.107 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)c1Cl 1832787057 QEVAPULTCHENQU-FQEVSTJZSA-N 462.421 5.229 30 20 JKED N#CCN(C(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)c1ccccc1 8936200 CGLVOQRPNQJSDI-UHFFFAOYSA-N 498.589 5.356 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 10170309 DEQWFOXPYSRVQB-UHFFFAOYSA-O 499.659 7.283 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 10355354 SSJSUKKSTQJCIW-AREMUKBSSA-N 466.610 5.832 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159036 SGDVDRQTBHHBRF-UHFFFAOYSA-O 480.387 6.563 30 20 JKED COc1cccc(-c2nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)c1 11462317 VCCHYKOATFTVDJ-UPCLLVRISA-N 484.025 5.131 30 20 JKED C=CCn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nc2sc3c(c2c1=O)CCCCC3 14675494 GRHQSTNHFZVHKF-UHFFFAOYSA-N 485.034 5.095 30 20 JKED N#Cc1c(NC(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)sc2c1CCCCC2 17980749 CAFBPYIQYDJMCF-UHFFFAOYSA-N 471.991 5.461 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18594549 QWSXUMTZVQSUIW-AWEZNQCLSA-N 451.573 5.196 30 20 JKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1ccc(Cl)cc1 18771097 SISMUEVVHGCWEY-UHFFFAOYSA-N 458.012 6.059 30 20 JKED C=CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S 23100868 OBAYHALNJBHHQN-HMAPJEAMSA-N 477.611 5.003 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1-c1ccccc1 24014493 LYYXYDJQEZYPSZ-SFHVURJKSA-N 464.616 5.593 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)cc1C 24765911 DHOLUVHNLJAXEX-UHFFFAOYSA-N 465.598 5.396 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2s1 109369212 VTKYLSNGEKRYKP-OAHLLOKOSA-N 463.613 5.689 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 303026594 MZNMECSXPSFWQP-UHFFFAOYSA-N 455.583 5.729 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)c1 303191520 MQSWQHITLWWBDF-UHFFFAOYSA-N 465.513 5.342 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2F)c1 481665102 YZQLMPMZVKMPGS-JWQCQUIFSA-N 463.484 5.457 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F 485119660 IMWQNMYBZOPNLL-UHFFFAOYSA-N 464.440 5.404 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(OC(F)F)c3)s2)c(C(F)(F)F)c1 487349121 FAXLTGUYUZGTFU-UHFFFAOYSA-N 453.392 5.478 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)cc1 493966028 ZOZHZKRAXZSQMK-GOTSBHOMSA-N 461.359 5.836 30 20 JKED Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1NC(=O)c1ccc(Br)cc1 494709815 STUYQBJHNSFNFJ-UHFFFAOYSA-N 468.738 5.787 30 20 JKED CSc1nc(O)c(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)cc1C#N 497876320 WSDHJDAETADWBJ-UHFFFAOYSA-N 483.597 5.123 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)o1 499518493 JDCKMFHYYZNITA-UHFFFAOYSA-N 453.951 5.189 30 20 JKED C=CCN(C(=O)CSc1cc(C)c(Br)cc1C)c1nc(C(=O)OCC)cs1 501941500 JJWBHYCHPKMTRV-UHFFFAOYSA-N 469.426 5.010 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1 505692452 UYDGPYAMNBQRNG-UHFFFAOYSA-N 471.538 5.886 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@H](C)O1 507316000 STRQSXKOARJPLW-VXKWHMMOSA-N 485.653 5.390 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 507878023 WYIRVWVKMYNOLP-HXUWFJFHSA-N 459.933 5.495 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 509604431 WCRCZOGQUMZUBK-UHFFFAOYSA-N 487.560 5.463 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(OC)c1 509901859 XHUGOFXULKSUPG-SANMLTNESA-N 471.557 5.718 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2nccn2C)cc1 510008942 AXIQJPALYPSTEL-ILBGXUMGSA-N 485.975 5.649 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 510257245 PCYKVMJNPSQRGW-UHFFFAOYSA-N 483.549 5.712 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)n1 512964784 VFLBZXWYRWAXFV-HNNXBMFYSA-N 489.322 5.504 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3OC(F)F)s2)c(C(F)(F)F)c1 514578322 IPRPULRJWOKTIC-UHFFFAOYSA-N 453.392 5.478 30 20 JKED COc1ccc2nc(N(Cc3ccccc3)C(=O)CSCc3ccc(C#N)cc3)sc2c1 516069433 NOGJVBITZRRZHI-UHFFFAOYSA-N 459.596 5.643 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1nc(-c2ccccc2)cs1 516462669 ALIBZJDIWWHAPO-JOCHJYFZSA-N 475.614 5.037 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 516749236 WJVPVERACBMZSX-RUZDIDTESA-N 485.540 5.704 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 517336278 NSWAJSAZMQNTTE-XMMPIXPASA-N 496.954 5.438 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)n2)cc1F 518150487 BCABKUGYDZJMFT-UHFFFAOYSA-N 478.471 5.780 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1C 518893202 IBZIELOJMJYMEN-UHFFFAOYSA-N 455.493 5.659 30 20 JKED C=CCn1c(SCC(=O)N2CCC(N3CCCCC3)CC2)nnc1-c1ccc(Cl)cc1Cl 520166108 WIVXTGOZQCQYRL-UHFFFAOYSA-N 494.492 5.007 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)cc2)cc1 520607786 WQKFXQHYHNEAJW-UHFFFAOYSA-N 461.930 5.587 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 520814531 DULXLWGDWGKYKS-IRXDYDNUSA-N 499.687 5.168 30 20 JKED Cc1nc(C)c(-c2csc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)n2)s1 520893465 XEGVUNVPSNOSSS-UHFFFAOYSA-N 450.520 5.939 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 520943940 PDAAHYMKIAHHLP-JXFKEZNVSA-N 475.536 5.792 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1 521811732 RZMSHUADROZVDW-YWZLYKJASA-N 463.525 5.552 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 521822929 CSPDWHBTUBPIFP-UHFFFAOYSA-N 455.381 5.422 30 20 JKED Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 523354536 DXOBYJTWQCOYEA-UHFFFAOYSA-N 457.599 5.247 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(c2cccc(C)c2C)CC1 524441628 TWULNIAEHGSRDA-UHFFFAOYSA-N 454.574 5.417 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 524442514 OQFVQQXVLBBIIH-VWLOTQADSA-N 469.520 5.229 30 20 JKED C[C@H]1Oc2ccc(C(=O)C3CCN(Cc4ccc(-c5ccccc5C#N)cc4)CC3)cc2NC1=O 556065528 PJTRNUBTOFABGR-LJQANCHMSA-N 465.553 5.040 30 20 JKED CC(C)(C)c1nc(CN2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cs1 557521502 QIJHRONXNAGVIC-UHFFFAOYSA-N 475.618 5.454 30 20 JKED N#CCCN(CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1)Cc1ccco1 560702540 QMINGUHXQPHZFT-UHFFFAOYSA-N 474.561 5.491 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)c1 589802973 AIXJRQWLIBPXBI-NRFANRHFSA-N 457.368 5.000 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccc(Cl)cc4)n3C)c2C#N)C1 589902601 FBSYZUSOSVOSTJ-CYBMUJFWSA-N 472.039 5.314 30 20 JKED Cc1c(C#N)c(NC(=O)CCN(Cc2cccs2)Cc2cccs2)n(Cc2ccco2)c1C 590934473 UISQFCKTSMVEAD-UHFFFAOYSA-N 478.643 5.772 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593513543 WTRLSGGRXDDIKF-NHAGDIPZSA-N 478.836 5.547 30 20 JKED C=CCN(C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)c1nc(-c2ccccc2)cs1 603336722 NLGWLEQXMVQCJY-UHFFFAOYSA-N 486.593 6.239 30 20 JKED Cc1ccc(Sc2ccc(NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2)c(C)c1 603649390 DMTKWBNPIOOFQP-UHFFFAOYSA-N 473.602 5.546 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1 603774917 JXMDUTHAZKOKKV-UHFFFAOYSA-N 468.629 5.359 30 20 JKED CN(CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccc(Br)o1 603962208 MBKKYHUUWNWHCJ-KRWDZBQOSA-N 486.753 5.062 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604164226 NNVQOQAUPXGYLI-QFIPXVFZSA-N 485.971 5.901 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 608862520 DRCKMHPTCBTHQB-SANMLTNESA-N 493.529 7.110 30 20 JKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609080803 VBAGPDKGBLSZFI-GOSISDBHSA-N 490.991 5.641 30 20 JKED CCSc1ccc(Cl)cc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 609209842 SMCLQHOVNSPTDW-UHFFFAOYSA-N 451.983 5.226 30 20 JKED Cc1nc(COc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)no1 609381653 FBVNLDKLZIBXRB-UHFFFAOYSA-N 462.453 5.234 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(-c2ccc(Cl)cc2)no1 609388962 NTCIXBQMNQIRRR-HNNXBMFYSA-N 458.008 6.261 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)c(Cl)c1 609403917 KRGPFUXPDYUIQM-KDOFPFPSSA-N 464.418 5.841 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 609434985 IZNDWNMCPSXAPM-HNNXBMFYSA-N 459.497 5.607 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 609435409 NNZGJINECDTDJG-KBXCAEBGSA-N 476.465 6.544 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)o2)c1 611167213 XNSNDWFJHDAMSL-UHFFFAOYSA-N 457.559 5.114 30 20 JKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612806177 WCTUBBRHRFFQIM-ITGUQSILSA-N 466.344 5.636 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(Br)cc4)c3)n2)cc1 613319367 YLHGNGUBQOKUID-IBGZPJMESA-N 463.360 5.557 30 20 JKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c3c(C)noc3n2)c(C)o1 613405016 SITGYBQVRVQCPP-MRXNPFEDSA-N 496.470 6.527 30 20 JKED O=C(CSc1cccc(C(F)(F)F)c1)Nc1cccc(COCC(F)(F)C(F)F)c1 614292553 AIYGKMHEHYTRNZ-UHFFFAOYSA-N 455.395 5.853 30 20 JKED N#C[C@@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1 622976178 CFZWCAUTQCDBPK-LBPRGKRZSA-N 463.893 6.582 30 20 JKED Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)c(C)n1CC(F)(F)F 684804735 ZATHTMTVIPGTMU-UHFFFAOYSA-N 496.514 5.213 30 20 JKED Brc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnnc2-c2ccccc2)cc1 725855884 IOOXMWAGIZEGKB-UHFFFAOYSA-N 469.346 5.443 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCc2ccccc2)cn1 726118910 RDHUKCQYLBYBIE-VWLOTQADSA-N 497.624 5.259 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 726319870 OIWYNVMEKLKBJD-OAQYLSRUSA-N 484.581 5.819 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)OCCOc3c(C#N)cnc4ccccc34)c12 726363651 ACCBQLMISCOATJ-UHFFFAOYSA-N 469.545 5.028 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccccn1)c1cccs1 726421133 LBHZCQWJVQBGJE-FHIBTABHSA-N 485.034 5.387 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OC)cc2)cc1 726570487 BCLWZYGKHRJEKN-UHFFFAOYSA-O 464.998 5.784 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)C=C1 726571559 XFOZWQCCNBFRHN-UHFFFAOYSA-O 492.024 5.619 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)Nc1ccc(OC)c(F)c1 726576200 NQBJRLZDZCVCHS-UHFFFAOYSA-O 494.612 5.414 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccccc2)cc1F 726576641 ZKLMPPRFCDJRRF-UHFFFAOYSA-O 480.585 5.242 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3ccc(OC[C@@H]4CCCO4)cc3)SC2=S)cc1Cl 726626568 IGXQWOIOKZKKOM-VNAJSCGASA-N 456.976 5.175 30 20 JKED Cc1cc(C(=O)N2CCC[C@H]2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1[N+](=O)[O-] 726731038 CVIUNAHJKWDMEZ-RXVVDRJESA-N 494.960 5.161 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(Cl)c2)N(C2CC2)C1=O 726892177 RREPNPVPOBGFSR-NRFANRHFSA-N 488.009 5.260 30 20 JKED CC(C)n1ncc2cc(/C=C\C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c(=O)[nH]c21 728028884 BQXSLLRITDPWDC-TWGQIWQCSA-N 487.947 5.061 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 728062055 HSSBHWKAWUDRKC-OAHLLOKOSA-N 450.882 5.138 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)CC2)c(OC)c1 728265989 RBEXBAQUQVMKNO-UHFFFAOYSA-N 473.573 5.011 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 728422825 LIZLNABWFPYPLJ-UUOWRZLLSA-N 483.597 5.237 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 728423326 RGIRNBIHHQVNAE-KSFYIVLOSA-N 489.988 5.328 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc23)n1 728652960 OJZCDTFEHGZYDK-NRFANRHFSA-N 455.539 5.317 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1scnc1C 729143363 QCRABVZDOUJMPF-LJQANCHMSA-N 468.579 5.060 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(CC)c1 730529097 KBIFDCPQWAGHPL-LJQANCHMSA-N 461.509 5.414 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 730943472 DGCBNLFPDXRCSW-YCRPNKLZSA-N 482.968 5.596 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731307925 WEBVKNBDOJCRNV-YCRPNKLZSA-N 483.977 5.230 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccc(F)cc2F)C1=O)NC1CC1 745581919 ZNGXIXGVRPCBBT-GOSISDBHSA-N 484.355 5.072 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 746697233 BWXQJWNXLJGZBN-JOCHJYFZSA-N 488.053 5.734 30 20 JKED COc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)ccc1OCC#N 747150795 LAPXJYGWCBADRQ-LICLKQGHSA-N 484.364 6.365 30 20 JKED O=C1/C(=C\c2ccc(-n3cccn3)cc2)CN(Cc2ccccn2)C/C1=C\c1ccc(-n2cccn2)cc1 747316750 BIQRVSAXVISSJY-XWFQURHXSA-N 498.590 5.005 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)c1 747602166 JQBMVFUFGDCXGA-FQEVSTJZSA-N 486.569 5.144 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cscn3)C2=O)c1 747603625 UUUUONSRFQHXGL-NRFANRHFSA-N 478.643 5.537 30 20 JKED C=CCc1cc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC 831906072 WLKQSXIHLGJLFG-UHFFFAOYSA-N 471.597 5.221 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c1 837783516 TWHSXSSPDHGQQJ-OAQYLSRUSA-N 499.589 5.065 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3sccc3C)C2=O)cc1OC 914546477 PUFJUWZIMHGZBN-NRFANRHFSA-N 495.626 5.234 30 20 JKED N#CC(CCOC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3)(c1ccccc1)c1ccccc1 914888475 IAGFERIKTPILFO-UHFFFAOYSA-N 483.593 5.261 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)[C@@H](C#N)c4nc(-c5ccccc5)cs4)c(=O)c23)cc1 915101683 FZPPOVNYYCHDQA-HXUWFJFHSA-N 496.617 5.824 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CCc1nc(C(C)C)no1 915140103 TVFBXCTULWJUOY-FQEVSTJZSA-N 479.562 5.347 30 20 JKED COc1cc([C@@H](C)/N=C\c2cc(Br)cc(Br)c2O)cc(OC)c1OC 915980016 WPUPEEYJRWMPPY-INRAOFHCSA-N 473.161 5.123 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(OC)c1 916205097 FKLXPEVLGNOBRN-IBGZPJMESA-N 479.524 5.474 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1cccc([N+](=O)[O-])c1 916212297 VZECGNQCIXKRDK-IBGZPJMESA-N 484.921 5.002 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)cc1C 916216601 XLFRTFCQXOIJCQ-QHCPKHFHSA-N 476.577 5.041 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916907383 ABXFWBRFYMWADT-MRXNPFEDSA-N 469.353 5.663 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 916914464 LRTFWDTTYZXFSD-HXUWFJFHSA-N 450.926 5.013 30 20 JKED Cc1csc(SCc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)oc3ccccc23)n1 917041847 YSRNKASTCBLRBS-OAHLLOKOSA-N 494.548 6.725 30 20 JKED CC(C)c1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)cc1 917612062 DXJWLQFCTWRARH-UHFFFAOYSA-O 454.619 6.171 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc2c(c1)Cc1ccccc1-2 917612511 VQOYZENHCKOOBR-UHFFFAOYSA-O 474.609 6.303 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](c2ccc(Br)cc2)C2CCC2)C1=O 917673986 LFCLJUVLWRJEIK-TZIWHRDSSA-N 486.435 5.058 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2ccccn2)C1=O)Nc1ccccc1F 917702447 VHUMYYMJOOACDT-RUZDIDTESA-N 498.583 5.577 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 917706991 GMNKMKLFZBUPGY-OPAMFIHVSA-N 489.988 5.328 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(C(C)C)c1 917712506 GOJYFTBEZGHHTE-FQEVSTJZSA-N 484.419 5.166 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 917806185 WASSBGLLBIMJIK-UHFFFAOYSA-N 470.532 6.194 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 918462777 KYQXCCAEVGNRQU-QGZVFWFLSA-N 479.429 5.134 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2c(C)oc(-n3cccc3)c2C#N)cs1 919007884 FUCZAYVIJZQKER-UHFFFAOYSA-N 480.933 5.402 30 20 JKED COc1cc(/C=C\C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1c(C)noc1C 920101774 IERAJKWEHGRJHV-IZKUIKQZSA-N 483.524 5.274 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 920105294 AKRAASYMICDPCU-QGZVFWFLSA-N 466.324 5.963 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2c1C 920106661 VVLUZBNDKPHSOC-CQSZACIVSA-N 495.655 5.256 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920110629 SRPAPBSBTFNBPM-SFHVURJKSA-N 497.320 5.740 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3Cl)SC2=Nc2ccccc2)no1 920354697 GQGIZUUKZRAEDJ-SFHVURJKSA-N 489.384 5.450 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc(-c2c(F)cccc2F)cs1 920806783 PRAQLZCLDSGZCU-SJLPKXTDSA-N 473.504 5.471 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2cccc(Br)c2)cc1 920993737 FBAZLAHRGNGYQK-UHFFFAOYSA-N 454.368 5.859 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ncccc45)CCC3)cc2)cc1 1785797896 TZZUXRUJYCONPK-UHFFFAOYSA-N 491.595 5.134 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ncc(Br)cc34)cc2)CCC1 1785863187 LEYNMADXUDNWPL-INIZCTEOSA-N 495.421 5.214 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)[C@@H]5C[C@@H]5c5ccc(F)cc5)cc4)CCC3)c2c1 1786031908 QRNKOIOBJCBLCI-DHIUTWEWSA-N 493.542 5.125 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)c(C#N)c1 1786244969 YFTQDICAQZMVDS-UHFFFAOYSA-N 481.543 5.069 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC(c4ccccc4)=NO3)cc2)CCC1 1786315851 GIMPVVYXHYTFRB-ILBGXUMGSA-N 457.574 5.082 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cc1 1787768091 UDQNAALTLUWRBJ-UHFFFAOYSA-N 473.960 5.211 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5oc(-c6ccccc6)cc5[nH]4)CCC3)cc2)CC1 1787880213 SZGGSJJLVTVSRL-UHFFFAOYSA-N 464.525 5.479 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)NCCC#N)cc2)CCC1 1788029380 NPPOMKBHVOTYAF-UHFFFAOYSA-N 495.627 5.087 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)CCC1 1789026114 NCBIWQXDQLEXMR-UHFFFAOYSA-N 479.378 5.228 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C(F)(F)F)[nH]c34)cc2)CCC1 1789054407 BLYJNGQUGFWJFC-UHFFFAOYSA-N 488.535 5.249 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCCC4(F)F)cc3)CCC2)c1 1789164396 YEDDOELUGJVFNC-DEOSSOPVSA-N 455.480 5.224 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789188896 DLUODHXSKQUOTL-JOCHJYFZSA-N 495.664 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(-c4ccccc4)cn4ccccc34)[C@H]2C1 1789202087 OKIZDBTUGOMFIE-DPZBCOQUSA-N 499.655 5.192 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5[nH]ccc5n4)cc3)CCC2)cc1C#N 1789270694 XTIQRAPOCOIMTN-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1789494648 ZHOGFPDUHHJZGS-VWLOTQADSA-N 469.585 5.069 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCC2)cc1 1789576315 SJZRDRKQRCKFSP-WKULSOCRSA-N 469.463 5.165 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1790513561 CKKICJBCXBGAPG-UHFFFAOYSA-N 492.469 5.102 30 20 JKED CCOc1ccc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)[C@H](C)ON=C(C)C)CCC2)cc1 1790693065 SAHSUYGIKOLCGG-KRWDZBQOSA-N 471.985 5.287 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CCC2)cc1 1791577665 RKSUWHWUBRALNB-QGZVFWFLSA-N 470.598 5.296 30 20 JKED N#Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2CSc2ccccc2)C3)cc1 1792640139 LADZHIINLDJBBC-OOSCYNTBSA-N 495.648 5.345 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cccc3s2)cc1 1797648759 MDAGQMBMAUGESU-ACDBMABISA-N 478.017 5.311 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(F)F)cc1Cl 1799250554 SXBYRQMILRXVFF-BCDXTJNWSA-N 497.058 5.244 30 20 JKED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1 1799432580 GMHUEAPBRKXUHN-PZXVYJQKSA-N 496.598 5.080 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)ccc1F 1800687311 VZDVJMNVDUQXHC-NUNAXRQHSA-N 499.627 5.023 30 20 JKED Cc1nc2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(C#N)cc(C(F)(F)F)c3)c2s1 1800739388 SIFRWMDOVDCFOT-REPLKXPHSA-N 498.530 5.061 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C2 1801694384 INTSKAZZIXIRKW-REPLKXPHSA-N 493.476 5.231 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)N(CC(C)C)CC(C)C)C2 1801697929 WPPINNIGOCISSL-NDBXHCKUSA-N 489.651 5.191 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1802502392 BWKBKQHOEVSGFU-OZXSUGGESA-N 455.602 5.547 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@H](CNC(=O)Cc4ccc(C#N)cc4)[C@@H]3c3cccnc3)sc2c1 1802580209 IFEOCGMTTVHGJB-YWEHKCAJSA-N 494.620 5.039 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1802946893 QOSBZAHNZDLTSH-GEBXHLAXSA-N 482.628 5.037 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@H](CNC(=O)[C@H](S)C(C)C)[C@@H]2c2cccnc2)cc1 1803604209 QIIBHJVKDOUIAX-DURWQBQJSA-N 487.669 5.331 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1804212820 JGZDZLNOUWCABN-JBBQQGGESA-N 496.051 5.368 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(NC(=O)C(C)(C)C)cc3)CC2)C1 1805460946 LWWVDGWJZKZMSD-UHFFFAOYSA-N 479.665 5.284 30 20 JKED O=C(CCCC(F)(F)F)N1CCC2(CCCN(C(=O)Cc3ccc(F)cc3C(F)(F)F)C2)CC1 1806504514 PPYFNZRKQFLQEL-UHFFFAOYSA-N 496.467 5.351 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4cc(F)ccc4Cl)C3)CC2)c1Cl 1806550280 JONKZUPROUUEET-UHFFFAOYSA-N 488.390 5.092 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)CC1 1808900794 DLICAKGGJXPBPO-NVQXNPDNSA-N 476.596 5.018 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc4c(Cl)cccc4s3)[C@H]2c2cccnc2)C1 1809443225 YWZORQMKUAGVNB-GAJHUEQPSA-N 466.006 5.236 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809491994 VGMRORDNLRNFNI-SGHYXFRMSA-N 471.601 5.539 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)[C@H]1c1cccnc1 1810178680 SHMJFAUJTSRGKO-GTNKKZTPSA-N 459.634 5.105 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1810500918 ZZKCRXZUIXICNS-CPJSRVTESA-N 491.035 5.595 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2F)[C@@H]1c1cccnc1)c1ccccc1 1810572477 USJJJHZJWUMODZ-VBOOUTDYSA-N 483.587 5.046 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[C@H]1c1cccnc1 1811410911 AGBDIMULVLRVKT-CCLHPLFOSA-N 489.019 5.058 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1812523112 XFIGGJNTOBUHQK-ATIYNZHBSA-N 478.036 5.056 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1812669800 BFMDYOLGSCYYIN-AOYPEHQESA-N 483.603 5.274 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c1 1813868640 PGOIVVSSBQHZNX-FTGWLVSGSA-N 490.966 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1c1cccnc1 1814290493 YSYXXWQRPVSLCM-ZBQOPKCVSA-N 471.645 5.202 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)[nH]n2)C1 1814395129 HUXZSTZSJUXQLV-FQEVSTJZSA-N 471.483 5.182 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)C#N)n[nH]1 1814573643 ZVUXUULPDCBZIL-OAQYLSRUSA-N 487.645 5.026 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1)c1ccccc1 1814931839 QSYLXLZOGDZKII-ZCYQVOJMSA-N 455.562 5.027 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[nH]n1 1815658044 RVBWZIIDGVIJPN-IBGZPJMESA-N 493.460 5.360 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC#N)n[nH]1)c1ccccc1 1817123839 DBPDXKZRADOZHG-IGKIAQTJSA-N 492.668 5.061 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818115821 KUTXZJCIRYBGDO-YVNCXZRQSA-N 494.642 5.003 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccoc3C(F)(F)F)n[nH]2)c1 1818213450 RCRARQMLKITVSZ-KUHUBIRLSA-N 485.466 5.268 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)[nH]c12 1819021849 JWODQXIDBQYPFZ-XMMPIXPASA-N 480.572 5.010 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[nH]n1 1819307827 OMMLKWDOJQETNI-SBUREZEXSA-N 493.011 5.528 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2coc(C(C)C)n2)[nH]n1)c1ccccc1 1819515852 CBHNFQRFDPCINF-NFBKMPQASA-N 473.577 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)[nH]n1 1819552724 YNTQNBCSPSEAJA-DHIUTWEWSA-N 464.610 5.098 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)nc2Cl)n[nH]1 1819679090 GBQDGTZROJHLBJ-YOEHRIQHSA-N 462.381 5.186 30 20 JKED N#Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4c5ccccc5n5ccsc45)sc3C2)cc1 1821191815 VCZKEDJOQJMWAM-KRWDZBQOSA-N 497.605 5.022 30 20 JKED COc1cc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c(C)c1 1821252753 NCZATZMAJUFUBP-NRFANRHFSA-N 491.979 5.180 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)[nH]n2)c(Cl)c1 1821278402 OZBSOERBWLFJDJ-JOCHJYFZSA-N 491.954 5.112 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CCc4cccc(Cl)c43)n[nH]2)cc1 1821775604 DRATXYYWDQENCW-REWPJTCUSA-N 487.991 5.165 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[nH]n1 1821987945 FAOQBKYYJZBJMR-GOSISDBHSA-N 496.480 5.364 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@H](C)S)n[nH]3)ccc21 1822384685 OWMOAZJKHPKANQ-QMHKHESXSA-N 475.618 5.162 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)nc2C)n[nH]1 1822650656 AKDYVMAAESMPRB-JOCHJYFZSA-N 451.615 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)[nH]n2)c1 1823215482 SUMCJDVZQQMSPO-MZNJEOGPSA-N 466.545 5.138 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC3Cc4ccccc4C3)n[nH]2)c(Cl)c1 1823558117 QRRNNVNGHOEJSC-XMMPIXPASA-N 487.991 5.046 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)cc1 1823683307 NCUFKMBKAFAXSD-VWLOTQADSA-N 486.641 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)CC2)c1 1823782736 QKYHYPZMNXLOGO-CUNXSJBXSA-N 469.629 5.279 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1823887958 SHBLERNDOFRPSE-RUZDIDTESA-N 479.571 5.415 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)cc2c1 1824052019 BOJNQOIDTALWTD-MUUNZHRXSA-N 482.628 5.214 30 20 JKED CO[C@](C)(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](S)C(C)C)CC1)c1cccc2ccccc12 1824532454 DGZUHMOSXSFKNZ-ZEZDXWPOSA-N 496.717 5.276 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827344999 CAHPUIVMCMEGFK-FYYLOGMGSA-N 490.069 5.183 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)cc1 1828009978 RWRWAKAUKLOOGZ-NDEPHWFRSA-N 465.597 5.453 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccccc2)CC1 1828904074 MTBDKLDLDXTUNH-AREMUKBSSA-N 482.741 5.126 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)CC1 1829418056 WSKNIJHCDKHOOX-VXKWHMMOSA-N 463.544 5.102 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419053 LMPBPYHYOZLWEO-DENIHFKCSA-N 451.636 5.256 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Br)c3F)CC2)c1 1829958204 ADJXLRRMNRYCDP-QFIPXVFZSA-N 498.396 5.007 30 20 JKED Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1830008400 FFMHIBZHMPUFDT-YVSHKSEASA-N 464.631 5.037 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1831375199 PRWLFISHTHGNMA-RDPSFJRHSA-N 473.617 5.873 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1)C(F)(F)F 1831451229 OZNJPURBFLSLTC-FQEVSTJZSA-N 494.941 5.952 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccccc2F)CC1)c1ccccc1 1831557034 MVOPBVFOMKDIHR-XNMGPUDCSA-N 490.619 5.021 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1831842075 IMDOFZUNURBWNS-KSFYIVLOSA-N 489.479 5.154 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2F)CC1 1832723380 QFAAJMWCASURKU-VFNWGFHPSA-N 483.397 5.173 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832729237 RKTOULOPIFEUFW-AHWVRZQESA-N 482.640 5.616 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1 1832828606 MRPCFTGGPDXMHR-XMMPIXPASA-N 499.493 5.294 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1838424438 HKDZZBJRPGMYQJ-UHFFFAOYSA-N 462.719 5.974 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)C1 1844675016 QONAUSDUSIHQNV-UHFFFAOYSA-N 453.586 5.192 30 20 JKED COc1ccc(/C=C2\N=C(SCc3ccc(C#N)cc3)N(c3cccc(OC)c3)C2=O)cc1 9640562 KJALTYGYYVWIMV-OYKKKHCWSA-N 455.539 5.253 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2Cl)cc1 10827226 QVADTEGGZBNQAK-UHFFFAOYSA-O 451.015 5.233 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 11083283 GRTXLNGQHPSBSM-UHFFFAOYSA-O 455.644 6.448 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(C(C)(C)C)cc1 11258201 WSZMURXXKKJYCO-UHFFFAOYSA-O 473.996 6.563 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 11265486 VVQHVNXCIZGCHO-UHFFFAOYSA-O 495.668 6.748 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nn(-c3ccccc3)c(=S)s2)ccc1Cl 12009005 RQVABUNQIDWSDN-UHFFFAOYSA-N 461.037 5.664 30 20 JKED C=CCN(Cc1nc(O)c2cc(Br)cc(Br)c2n1)Cc1cccs1 19540603 ZULFHHKICPYJJY-UHFFFAOYSA-N 469.202 5.110 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2CC)cc1 21116386 FWKXWKCUAHCKTD-UHFFFAOYSA-N 469.014 5.067 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2cc(-c3ccccc3)sc2c1=O 21494313 DCTIAZKDWCRLGE-UHFFFAOYSA-N 477.611 5.359 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(F)cc1 22033717 FJZJWDDXTPZNHD-GFCCVEGCSA-N 451.354 5.696 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2cc(C)ccc2C)cc1 22729624 FHHLFXRJPDMQCR-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(O)c2)cc1 22732548 SIOMDQMNDMSOCC-UHFFFAOYSA-O 484.439 5.791 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 32252972 BEBZBVBPFYVGGQ-UHFFFAOYSA-N 483.549 5.190 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1C1CC1 36189317 DVCILAYUZJROKJ-HXUWFJFHSA-N 454.983 5.476 30 20 JKED COc1ccc(Br)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 46861673 NTZJMBAQANRKPM-LJQANCHMSA-N 455.739 6.019 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c(OC)c1 71990297 YRSVXCSJVPIIOS-UHFFFAOYSA-N 456.970 5.157 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 96032785 UKHYKMKDEKWDET-YPKPFQOOSA-N 481.571 5.178 30 20 JKED CCOC(=O)C1C/C(=C/c2ccc(SC)c(OC)c2)C(=O)/C(=C\c2ccc(SC)c(OC)c2)C1 207762506 QHHKWIAQJQYZKU-YZLQMOBTSA-N 498.666 6.157 30 20 JKED Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 255937223 HKHPGLSNSAXTAR-UHFFFAOYSA-N 468.604 5.198 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)c2)c1 409805431 FJYLNCXDRSKPCW-UHFFFAOYSA-N 494.498 6.010 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)c(C(F)(F)F)c1 487445431 JWMKJOOUORZILD-UHFFFAOYSA-N 466.828 5.438 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12 501149448 KGUVUOXBWRXPJO-UHFFFAOYSA-N 454.505 5.144 30 20 JKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 503098703 BZWVTBWRHOIBGH-DNQXCXABSA-N 488.634 5.690 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1OC 503284454 OSQGNLTTYOAYMC-FQEVSTJZSA-N 491.510 5.536 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)Cc2ccccn2)c(OC)c1 505213436 MLLABHVCVPCDHG-UHFFFAOYSA-N 468.557 5.122 30 20 JKED Cc1csc([C@H](C#N)C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)n1 507010730 GMXCLHPYGLSSAS-GOSISDBHSA-N 465.600 5.061 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 510125632 ZRCVCIOPEWNCID-UHFFFAOYSA-N 487.503 5.173 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2nccs2)cc1Cl 510302917 HKQLPNCDOYZMGY-GGAORHGYSA-N 486.984 5.296 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 511309365 XUKHNYDBOMJJGI-MHZLTWQESA-N 454.574 5.290 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(C(F)(F)F)cn1 513175826 LTOUFCSQDZHTSD-INIZCTEOSA-N 464.369 5.672 30 20 JKED N#C[C@@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc(C(F)(F)F)cn1 513183107 ZIQNJMCAKVEXLF-LJQANCHMSA-N 452.461 5.530 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc2sc3c(c2c1=O)CCC3 513259571 CPZGIFHUXMKLAB-UHFFFAOYSA-N 491.425 5.782 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1 513939915 KGGSPYHQUKWNLL-UHFFFAOYSA-N 451.885 5.356 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 516298233 ALQXKMIAJXLPLT-UHFFFAOYSA-N 461.521 5.237 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517275986 SPONXQNUYOBHNN-DEOSSOPVSA-N 470.960 5.244 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 517467124 MDKRLWIICIHILU-UHFFFAOYSA-N 490.334 5.315 30 20 JKED N#CCCN(C(=O)CCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 517802674 AFBOHIFFTUJNEL-UHFFFAOYSA-N 481.021 5.383 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)n1 517924136 MFJBHNYQDBHYAC-HXUWFJFHSA-N 470.554 5.279 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 519485294 ROTHTWPCHDFUIM-SFHVURJKSA-N 451.621 5.112 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2n1C(F)F 522488149 ZAIXRTZIFNHVPB-CYBMUJFWSA-N 462.403 6.064 30 20 JKED C=CCN(C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 524168200 KUJFXORPDSGPBV-QZTJIDSGSA-N 460.665 5.585 30 20 JKED O=C(Nc1cc(F)ccc1Cl)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 593678342 XYMPFGJVBLVGJL-UHFFFAOYSA-N 487.162 6.003 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2c[nH]c3ccccc23)cc1 603658260 WJBUCQBHYOXLSI-XMMPIXPASA-N 452.558 5.931 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1 604310334 BNPPINRVLAJVKJ-DEOSSOPVSA-N 476.605 5.595 30 20 JKED C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 604325567 LZXUXGUPTSUAHR-HXUWFJFHSA-N 482.609 5.266 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(C(F)(F)F)c1 604419896 MSDPFCIQLUWWOY-HNNXBMFYSA-N 453.420 5.185 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc(-c2cccs2)no1 609378425 HMIQHPZUVQUSMS-UHFFFAOYSA-N 452.483 5.394 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 609399355 POXMMQZIKXVZAF-QGZVFWFLSA-N 475.456 5.297 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c(OC)c1 609435475 QGRMDAIUXDAVPD-KRWDZBQOSA-N 469.607 5.518 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 609437033 LPSFWYDRAQLWSN-NFBKMPQASA-N 479.646 6.062 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(C)o2)C2CC2)nnc1-c1ccc(Br)cc1 613940837 XOXQPDPXCLHVJQ-UHFFFAOYSA-N 487.423 5.078 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)cc1 619286841 ZYGNPVRZQJQCBP-AREMUKBSSA-N 455.558 5.421 30 20 JKED O=C(c1cccc(C(F)(F)F)c1O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517397 HWIHNQSLIYESIA-OAHLLOKOSA-N 487.318 5.662 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 674512887 DAXSXUOYDLPWOX-UHFFFAOYSA-N 453.010 5.092 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nc3ccccc3c2=O)c(C)c1 725860038 VKUNCICIUVTDHC-UHFFFAOYSA-N 451.555 5.037 30 20 JKED CC(C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\CCc1ccccn1 726108358 KYNDAXCCGQFTGX-DASRABTFSA-N 493.460 5.306 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H]2CCc3cc(C)ccc32)cn1 726114513 XDLCCZGGJNMCFE-DNQXCXABSA-N 487.629 5.168 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726116105 BECWVOPNJWUGPB-AVRDEDQJSA-N 495.674 5.611 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 726396449 FBUKHKUNKLMVDV-AUUYWEPGSA-N 497.514 5.230 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3ccc(OCCN4CCCC4)cc3)SC2=S)cc1Cl 726627299 PRTSUFRGKSPDOY-FYJGNVAPSA-N 470.019 5.092 30 20 JKED Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nnc2SC[C@@H](C#N)CCC#N)c1 726730185 HYECQTRRTAIMHR-QGZVFWFLSA-N 486.428 6.306 30 20 JKED Cc1nc(/C=C/c2cn(C)nc2-c2ccncc2)sc1C(=O)/C=C\c1cn(C)nc1-c1ccncc1 726849223 ZXHVUVIQJYQJII-XGXWUAJZSA-N 493.596 5.109 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)C1CCN(c2nc3ccccc3s2)CC1 727294668 GPNJAHOKIFMEPG-UHFFFAOYSA-N 486.391 5.151 30 20 JKED COc1ccc(-c2noc(CNc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)n2)c(OC)c1 728052673 JJISIEKXZJZRSC-UHFFFAOYSA-N 476.920 5.470 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 728062499 LHJWLNJEIDRQEP-INIZCTEOSA-N 464.909 5.446 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CCCCC#N)C2=O)cc1 728780049 MZAMGESSSPHUSU-OAQYLSRUSA-N 479.993 5.174 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 729063154 BRGJLLKIOZHOEA-DFBJGRDBSA-N 457.599 5.658 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 729145543 LSTUCIIEPLUPNE-OAQYLSRUSA-N 494.617 5.240 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 729669468 YRHPFWBHTSBUHK-UHFFFAOYSA-O 478.377 5.274 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1C[C@H]1CCCO1 730525559 UGHHWKFYNDPOLD-NFBKMPQASA-N 465.619 5.005 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1Cc1ccco1 730526645 UFFFTWHTKQCFAZ-HSZRJFAPSA-N 493.585 5.020 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccc(SC(F)F)cc1 730685055 AEEKRHCULMUSOF-AWEZNQCLSA-N 499.486 5.910 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 731039889 BMBMGVKRENVONS-LLVKDONJSA-N 472.876 5.712 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2ccc(Br)cc2)CCC1 731069900 JJNZZKFBPAIGQY-MRXNPFEDSA-N 487.419 5.304 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nnn1-c1ccc(F)c(Cl)c1 731288636 YRVMFRJLQJAQOL-GOSISDBHSA-N 489.894 5.122 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731305576 MTFAGTXGEYXXIT-LJQANCHMSA-N 471.991 5.268 30 20 JKED Cc1ccc2c(c1)[C@H](N1C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC1=Nc1ccccc1C#N)CC2 731311576 CBHRIZCREKHRKS-JWQCQUIFSA-N 496.592 5.220 30 20 JKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccccc1SCC#N 743246843 XYHBTDRCPFMMSJ-UHFFFAOYSA-N 491.569 5.598 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 746697832 MWPVZPNHOBAASY-FQEVSTJZSA-N 477.989 5.256 30 20 JKED COc1cc(/C=C(\Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)ccc1OCC#N 747141450 VKQMJZKGTKQSBQ-YBEGLDIGSA-N 467.909 5.439 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1cscn1 747603683 TZLIAMLMZUTQTL-FQEVSTJZSA-N 470.664 5.190 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(Cl)cc2)n1 748036547 PCQJFUGHFMAACK-FQEVSTJZSA-N 498.967 5.043 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C(F)(F)F)c1 799210485 UCWWGTUWPSAZQY-KRWDZBQOSA-N 499.436 5.318 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1C 800451545 BMYITBOSEZGRJD-UHFFFAOYSA-N 464.521 5.443 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)c3cncs3)c2C#N)C(C)(C)C1 809230407 WMMHDNSZBRXTQA-PLNGDYQASA-N 495.651 6.020 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)cc1C 837299436 IFCPNJDBATZRJC-DEOSSOPVSA-N 478.662 5.137 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1C 837300833 XMNHWJDWOHKAGT-WZONZLPQSA-N 476.577 5.559 30 20 JKED CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2sccc2C#N)cc1 914712478 VZCRIBUHTFIQRW-OBGWFSINSA-N 450.567 5.973 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2COCc2ccccc2)cc1 915763875 LPPOKPSMZOISAM-GDLZYMKVSA-N 489.575 5.314 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(F)c(Cl)c1 916204918 KHWSVSVTKVCKPJ-QGZVFWFLSA-N 497.335 5.187 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(CC)cc2)N(C[C@@H]2CCCO2)C1=O 916215521 XCZMHLODKLDPFD-XUZZJYLKSA-N 495.645 5.177 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 916680631 MLGSWEWKHFCNIQ-XUZZJYLKSA-N 450.369 7.018 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(COc2ccc(F)cc2)nc1C 916901802 ATLJLLHATNSJLB-INIZCTEOSA-N 487.940 5.101 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 916954864 KZBYOQJOFINDOZ-KKSFZXQISA-N 496.036 5.572 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975441 COKLWUBUDMKFMU-VQTJNVASSA-N 484.046 5.500 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 916976171 MLBQZXDDKXVSHR-SFHVURJKSA-N 468.365 6.581 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)C2)c1 917046322 JCYBADADTHKNRQ-QFBILLFUSA-N 451.979 5.295 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1=S 917454978 BPASZFOONFFWKH-UHFFFAOYSA-N 475.662 5.413 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cccc(C)n3)C2=O)c1 917678924 VHHWVHIHPJIRLK-HSZRJFAPSA-N 493.032 5.821 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc3ccccc3c2)n1 917699715 FNMVVGULTBOWLU-DEOSSOPVSA-N 499.571 5.238 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C2CCCC2)C1=O 917702630 HGZPALTXKYOICB-OAQYLSRUSA-N 466.994 5.423 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1ccco1 917707056 JVJWJFODCFVUBH-DEOSSOPVSA-N 480.549 5.465 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc2Cl)cc1 917877240 YTCBAXBVTITUJQ-UHFFFAOYSA-N 462.861 5.253 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1nc2cc(C(F)(F)F)ccc2s1 920113281 UFTGDYMINMMRNU-GJZGRUSLSA-N 463.868 5.198 30 20 JKED N#C[C@@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1 920265004 HZLSEQPIFOTGRC-XUZZJYLKSA-N 476.026 6.558 30 20 JKED Cc1nc(SCC(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c(C)c1C 920515095 WOWBATJANBCQDD-UHFFFAOYSA-N 463.346 5.071 30 20 JKED N#C[C@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc(-c2c(F)cccc2F)cs1 920806761 PKGUGTKQLPNMDH-CQSZACIVSA-N 459.315 5.759 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c1 923990943 FNSKXURSURNSSE-HXUWFJFHSA-N 475.593 5.245 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccccc3)c(F)c2)C1 1780115805 SMLFSBFDHDSUPX-POURPWNDSA-N 490.619 5.389 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)C2)C1 1782091087 LQNXRPIYFGEWLW-VWLOTQADSA-N 497.463 5.217 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ncccc45)CCC3)cc2)c1 1786041372 VMKGAIWJNSXXID-UHFFFAOYSA-N 491.595 5.134 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1786364420 IYLSDAWJKDFAKY-UHFFFAOYSA-N 485.024 5.616 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@@H](F)c4ccccc4)cc3)CCC2)ccc1F 1786613687 RYYQSSZXHJISRQ-VWLOTQADSA-N 459.496 5.085 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4)CCC3)cc2)c(O)n1 1787172630 OEJIMPDJEAIUIK-UHFFFAOYSA-N 476.964 5.016 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CCC2)cc1 1787885701 DHRWMENZPLHNFU-UHFFFAOYSA-N 463.541 5.281 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)n4ccccc34)CCC2)cc1 1787886834 YIVZSHALWKJOQS-UHFFFAOYSA-N 462.553 5.658 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccc(Cl)cc5nn4)cc3)CCC2)c1 1788494071 CKEZVGRBKKEXEI-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)cc2)CCC1 1789120261 NWZDRJBEZSPWGV-VGOFMYFVSA-N 487.600 5.307 30 20 JKED Cc1ccn(C)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1790183408 CQBCVNNLWLDFOR-UHFFFAOYSA-N 470.573 5.054 30 20 JKED COc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767730 IGCLGTHHYQYQRH-UHFFFAOYSA-N 465.962 5.343 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)cc2)CCC1 1790772651 XKMLLKXCSOJDND-UHFFFAOYSA-N 467.541 5.497 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)c(Cl)c3)CCC2)cc1 1791300634 SYOZSAXVTBVFFF-UHFFFAOYSA-N 454.304 5.348 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nccn5c4)CCC3)cc2)c1 1792123564 JKZOBZZWPAJYBA-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1 1792241506 KLNXFUGVJHRYMA-QRFRQXIXSA-N 466.544 5.062 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1793053059 PIZTWEVXHLOCIU-SXPGVMETSA-N 495.664 5.544 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nscc23)[C@H]1c1cccnc1 1802499825 JRKKFPIIXBMUAO-XXBNENTESA-N 462.619 5.003 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1802501927 UYKJXKTYMNJHET-VPUSJEBWSA-N 461.650 5.446 30 20 JKED Cc1ccc(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(CC#N)cc3)C4)CCCCC2)cc1 1802620505 KDFQKYIXZJJHGQ-LGKQTMLJSA-N 469.629 5.215 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1802857529 MSDSHZVSISFRLR-GBXCKJPGSA-N 472.004 5.115 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1803078874 DZHXQCNFUJBHGR-OYUWMTPXSA-N 459.634 5.296 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCCc3cc(OC)ccc3OC)CC2)C1 1804866555 HEGGVYCWFWCBMG-UHFFFAOYSA-N 484.681 5.250 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1808864641 XQHUYUFRMGAFDH-OKEQGEBHSA-N 498.627 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1810173990 XPADJVAGQLAZML-BXTSTYNKSA-N 480.612 5.232 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(F)c2C)[C@H]1c1cccnc1)c1ccccc1 1810440576 JSCMMERFCZJFCA-XDIPAPSNSA-N 483.587 5.046 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1)c1ccccc1 1810443220 FRGFLSMMMCPLNG-ZEZDXWPOSA-N 491.591 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)[C@@H]1c1cccnc1 1810489927 PUKVCYFZJITHSX-WIOPSUGQSA-N 472.589 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1810503434 PLCXFCVTYMZQAL-DMTNHVFBSA-N 479.640 5.659 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)[C@@H]1c1cccnc1 1810503902 SNIIUUOLXWERFX-HYBUGGRVSA-N 494.039 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1810504445 YZIHYDQMCWCWGS-VPUSJEBWSA-N 488.676 5.384 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCCC4(CCN(C(=O)c5ccc(C#N)cc5Cl)CC4)C3)c2O1 1810726127 SLQKUWBVKHLMJH-UHFFFAOYSA-N 492.019 5.084 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c1 1813864328 ZFIBVRAWWUHSCK-IUBQTAPSSA-N 490.966 5.135 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1813958202 BGJJCYBNEVJMJB-JYFHCDHNSA-N 488.632 5.052 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1813960080 BATHMOCBJVSTKK-RCSBWOJUSA-N 490.648 5.276 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)[nH]n1 1814442778 ZOGOYVSCIPUKIY-QFIPXVFZSA-N 491.592 5.372 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)[nH]n1 1814831037 OBHSIFODJUTARW-HSZRJFAPSA-N 480.584 5.412 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1815118478 LKHMNVFOIOQNTD-RUZDIDTESA-N 477.568 5.049 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1 1815556476 ACTVMFSBPKORPN-XUZZJYLKSA-N 468.649 5.164 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(C)cc23)n[nH]1 1815791084 HOTLHZHRXVKWQV-XMMPIXPASA-N 459.594 5.203 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1816461837 BCSGSCULLNOZPS-QHCPKHFHSA-N 487.604 5.419 30 20 JKED C=C(C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1)C(F)(F)F 1817405950 NVVSRBNGVAMCKG-CQSZACIVSA-N 495.910 5.401 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3nc(C)ccc3o2)n[nH]1)c1ccccc1 1817689922 BFQVLKWNGUEUCW-ZJSXRUAMSA-N 495.583 5.362 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C(F)(F)F)coc2C)n[nH]1 1818289854 BSUURICKPAGQRB-QGZVFWFLSA-N 466.504 5.628 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)ccc2n1 1818672590 DPLPYIWQMVYQNA-AREMUKBSSA-N 492.583 5.077 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)[nH]n1 1819304876 LOSIDUWCYTYRCT-AZUAARDMSA-N 476.606 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)[nH]n1 1819309330 SCVQMBZLUZMMNF-NOZRDPDXSA-N 469.589 5.546 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)c2ccccc2n3CC)n[nH]1 1820225175 FMPZBNSBBLHFKQ-RUZDIDTESA-N 467.573 5.257 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)cc3)[nH]n2)c1 1820484967 XLAVXWITMRHGLC-DEOSSOPVSA-N 494.530 5.102 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1)c1ccc(F)cc1 1820551201 ITWOTEOMUNYSBV-NOZRDPDXSA-N 473.552 5.166 30 20 JKED Cc1ccc(CSCCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1822282138 HUNGZQOJCIHRSM-DEOSSOPVSA-N 487.629 5.219 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1F 1823906403 ZTQLRXFGWCVLFF-QFIPXVFZSA-N 467.972 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1824141297 YNNCIQKYXXUNTJ-NRFANRHFSA-N 466.544 5.609 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccsc3)CC2)c1 1827105236 RCRQGXVGYBXZKB-NLFFAJNJSA-N 463.647 5.241 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1828502400 MSGJJZAGPYHJQT-UZUQRXQVSA-N 486.454 5.376 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1828826993 PWQXILWKLCKIFH-XUZZJYLKSA-N 469.025 6.088 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829959711 ZDPHCVBPXLMQHD-QHCPKHFHSA-N 469.507 5.124 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1830017494 ZSSKBGGFMFGNJF-NDEPHWFRSA-N 484.644 5.096 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1830103100 RQGDPXXQZPBDGM-MHZLTWQESA-N 473.617 5.203 30 20 JKED C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830360155 GVOGPTSQINBTHM-ZBLYBZFDSA-N 475.608 5.053 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1830447104 CXIDUAZGFMXSKN-LJAQVGFWSA-N 492.623 5.362 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 1830604731 KWIPUWJJIPAEDS-VWLOTQADSA-N 494.035 5.086 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1Br 1830686490 FYIXXRVLYGVMOP-QHCPKHFHSA-N 498.396 5.007 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1831734357 LLDCQUHUMCQTFW-GIPLCNRYSA-N 468.613 5.236 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1831737475 DLQDZYKKNGWRRC-RUZDIDTESA-N 482.665 5.025 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1831842604 PKGLRKJSKVIOKI-MLGOLLRUSA-N 480.955 5.050 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1831855945 JOGJQVTXMLQCNF-LJQANCHMSA-N 473.828 5.221 30 20 JKED CCc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc(C)n1 1832631949 JRVAQJAFTDFYSO-CCLHPLFOSA-N 472.633 5.127 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633443 HSZDPTMRARGQIX-VHSZZVNMSA-N 473.617 5.014 30 20 JKED COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1F 1832635371 BTQVWQRIJZAXKT-UQBPGWFLSA-N 477.580 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(CCCCC)cc3)CC2)CC1 1838374839 KBUDTDAXDNDOMS-GDLZYMKVSA-N 494.720 5.729 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)CC2)CC1 1838537889 KQKWMOVUAQAOST-IBGZPJMESA-N 499.051 5.326 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)CC1 1838736698 MGPPMDFRBXYRHC-UHFFFAOYSA-N 493.475 5.118 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)c1 1845280405 CVXCJUFCBYBYHU-DCFHFQCYSA-N 499.561 5.642 30 20 JKED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1847827234 PIAAFXVDRUBFAW-FDFHNCONSA-N 492.563 5.268 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 8649352 FJERGGTXJXVYGE-SSOJOUAXSA-N 480.659 5.155 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 10760854 NQYDPBPQSCAVIV-UHFFFAOYSA-O 471.021 6.007 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(C(C)(C)C)cc2)c1 11126894 HPXASOHYBJSFRF-UHFFFAOYSA-O 467.658 7.093 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(O)c2)c1C 11262865 KWFKJMYZEZMIAW-UHFFFAOYSA-O 450.584 5.002 30 20 JKED N#Cc1c(NC(=O)CCN2CCc3sccc3[C@H]2c2cccs2)sc2c1CCCC2 11455278 ZJYMRSHBPYJEBV-QFIPXVFZSA-N 453.658 5.598 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(F)c1 11559818 MQVLOEHIXBQWEM-VWLOTQADSA-N 470.573 5.663 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc3c(c2)CCCC3)c1 14872210 IFPVZVMAJDKYRN-UHFFFAOYSA-O 456.056 6.181 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccc(C(CC)CC)cc2)c1 15247811 IOAUUWAAFHJMAT-UHFFFAOYSA-O 461.651 6.500 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)nnc1-c1ccoc1C 21171478 WSPQLABQAYKHTR-QFIPXVFZSA-N 487.585 5.404 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SCC#N)n2C2CCCCC2)cc1 21175879 GGXCFWYIPILTQY-UHFFFAOYSA-N 493.658 5.805 30 20 JKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 21723403 JMSHHYFTUBCMAZ-SFHVURJKSA-N 455.027 5.552 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1 21729294 SAHIGFNTCUEJIU-KRWDZBQOSA-N 451.983 5.212 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccc(OC)cc1 23998162 FPQLZWUVXUMWAP-HXUWFJFHSA-N 484.625 5.850 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 26982415 GZRMCWWPQZYFKG-IBGZPJMESA-N 484.629 5.806 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(Cc2ccccc2)n1 31649702 YSNAFCKWSNZIRK-UHFFFAOYSA-N 452.580 5.522 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(NC(=O)Nc2ccccc2)cc1 108131484 WQQUKUHLWHCIPX-IBGZPJMESA-N 480.524 5.865 30 20 JKED C=C(C)CN(CC)C(=O)CSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 209025609 VOEQIOZBOBDVBX-XDHOZWIPSA-N 490.050 5.312 30 20 JKED N#C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc(Cl)c1Cl 303407175 SSOYVPQSSUAZND-QFIPXVFZSA-N 466.368 5.380 30 20 JKED COc1c(C)cnc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C 476769985 XMNNCIUVURTHEM-UHFFFAOYSA-N 450.926 5.688 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(F)c1 481626599 NMUJJDOYDFLBRV-DEOSSOPVSA-N 473.483 5.060 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)o1 490839653 DSGPABWFGARHAR-UHFFFAOYSA-N 477.948 5.698 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 499853182 UPKFHWNRUCJQII-QFIPXVFZSA-N 453.311 5.239 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1ccc(OCc3ccccc3)cc1)O[C@@H](C)C2 500656047 SZZIBBUDZWXRMN-LTTQSNNQSA-N 482.580 5.472 30 20 JKED C=CCN(C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)c1nc(C(=O)OCC)cs1 501941368 BXQOGNANPZOAAL-UHFFFAOYSA-N 487.006 5.515 30 20 JKED C=CCN(Cc1csc(N(C(C)=O)c2ccccc2F)n1)Cc1cc(Br)ccc1F 502667045 JLEBQHHAIGFSKF-UHFFFAOYSA-N 492.389 6.057 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 503549644 GCFZJHLOOFLJPC-OAQYLSRUSA-N 466.006 6.216 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1 507746939 JUTRGGDRZDXETE-UHFFFAOYSA-N 487.560 5.664 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 508272082 GAYJCHJISXYCTL-HFZDXXHNSA-N 457.530 5.649 30 20 JKED Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 509694235 BHVUIYSUNXARMC-JOCHJYFZSA-N 499.514 5.034 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1Cl 510060093 WZXGJUGTQQUHCI-NRFANRHFSA-N 494.929 5.264 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 510249604 ASVWVKMMYKLYTK-MUUNZHRXSA-N 489.531 5.854 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)cc1 511028778 LNOHBBLTVJBHTH-HXUWFJFHSA-N 455.961 5.532 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccc(C(F)(F)F)cn1 513158542 BWFVYASDTZJPFL-QGZVFWFLSA-N 488.263 5.605 30 20 JKED N#C[C@H](C(=O)c1occc1CS(=O)(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 513248782 IWPFHXPBFGXZMS-MRXNPFEDSA-N 484.505 5.145 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2)c1 515448007 RQULYAITXPTEFQ-UHFFFAOYSA-N 454.461 5.176 30 20 JKED COc1cccc(/C=C(\CC(=O)Nc2cccc(OCCCC#N)c2)c2nc3ccccc3s2)c1 515613829 WMMNORGLBFDXQX-LTGZKZEYSA-N 483.593 6.557 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 515649176 RCZDNMVRWUAHQA-UHFFFAOYSA-N 459.596 5.636 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1ncnc2sc(C)c(C)c12 515827405 XVMZCQNIJKJUEE-UHFFFAOYSA-N 461.572 5.406 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 516021928 FMZCFVZZEBUSMZ-UHFFFAOYSA-N 480.387 5.069 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 516352100 CIGZJZQFUALVMS-HNNXBMFYSA-N 471.878 5.164 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCC(F)(F)F 517529533 GNTDYYJKRUBWIP-CQSZACIVSA-N 453.486 5.352 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 518143353 GQDJKPXPNFSNHS-LJQANCHMSA-N 499.702 5.275 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)c4cccs4)c3)n2)cc1 518516663 RDQJRCGHHLRJAF-LJQANCHMSA-N 454.536 5.486 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(F)ccc1Br 518655569 RWCGVLVSKUFPLE-CYBMUJFWSA-N 453.402 5.712 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 519058140 LLSYRTSPOJBYAT-UHFFFAOYSA-N 478.980 5.707 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1 519502634 FAYFPPRNOGYLAG-VWLOTQADSA-N 453.542 5.020 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 520056329 QOFMRRQYQBRZBZ-UHFFFAOYSA-N 477.630 5.544 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 520814456 BIKIDOHSQMYSGL-LJQANCHMSA-N 492.674 5.383 30 20 JKED COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)C[C@H](C)C#N)c1OC 521014101 INTSQBSBEANGHD-CDDVYSJNSA-N 469.585 5.607 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1 521073013 KYUSUGFRQJXAHT-UHFFFAOYSA-N 474.561 5.610 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2cc(Br)ccc2F)C2CC2)cc1 524305097 ZCOIGWIGWNOYEQ-UHFFFAOYSA-N 486.385 5.599 30 20 JKED CCc1c(C)sc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1C#N 524330588 ULLGYZAWMXSYAV-UHFFFAOYSA-N 462.600 5.266 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(Cl)cc1 524389709 XRADQTPUTNRCBS-QHCPKHFHSA-N 482.367 5.650 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1 524578843 BTLWMHUVHOQXIF-UHFFFAOYSA-N 471.492 5.107 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 603600838 DGWGCHXSRZKXJW-UHFFFAOYSA-N 460.493 5.161 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603953644 WJXUGCREWSQTAZ-UHFFFAOYSA-N 489.578 5.530 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 608785292 OAIXADPASGXFDY-UHFFFAOYSA-N 497.530 5.701 30 20 JKED CC(C)(C)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccc(C(F)(F)F)c1 608901764 QXYPKHJXPRRCFM-HXUWFJFHSA-N 466.525 5.300 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 608994645 PHWBMWFXAZCDNI-UHFFFAOYSA-N 482.628 5.708 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(I)c3)n2)cc1 609089789 DQCPSCJWQAIZLW-INIZCTEOSA-N 474.323 5.222 30 20 JKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 609095794 JULRQGZDBLCYAW-LJQANCHMSA-N 487.400 5.048 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)cc2F)c1 609103898 HMNCWWJLWRRMHO-UHFFFAOYSA-N 475.907 6.156 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3 609369691 HWWWGCDVSNIJJQ-CYBMUJFWSA-N 470.645 5.401 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2sc3c(c2c1=O)CCCC3 609370962 NBAVEFPVUGWCJM-OAHLLOKOSA-N 498.699 5.482 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 642501853 SDKFVUASBKKKNZ-HDICACEKSA-N 471.623 5.389 30 20 JKED COc1ccc(OC(F)F)c(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 642636112 BWKGJMDIHDRTBZ-IUCAKERBSA-N 450.326 5.328 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 645079416 ZNHJZALZWAQQGN-MRXNPFEDSA-N 470.982 5.018 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(C2CC2)C1=O 726410432 ZMLRAMYJXZMDOU-LJQANCHMSA-N 473.385 5.296 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 726414306 ZNNJHJBUGOTPDQ-CPJSRVTESA-N 482.609 5.401 30 20 JKED Cc1ccc([C@@H](NC(=O)COC(=O)c2occc2COc2cccc(C#N)c2)c2cccs2)cc1 726691530 GKBWDHPXEOYDBG-RUZDIDTESA-N 486.549 5.163 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 727629175 SOBKUHNCGRAPIP-LJQANCHMSA-N 466.994 5.090 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2C#N)s1 728424773 HNFCKRVBUAQEOY-UZUQRXQVSA-N 499.621 5.521 30 20 JKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 728669599 QIRYXSILLUHEBJ-AWEZNQCLSA-N 465.849 5.096 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CCCCC#N 728778883 GDXLBEAFSRGRDP-XMMPIXPASA-N 486.597 5.503 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)n2)cc1 729186306 IGFFRGCTUNFPRP-UYAOXDASSA-N 468.003 5.164 30 20 JKED COc1ccccc1-c1nnc(SCc2ccc(OCC#N)cc2)n1-c1ccc(Cl)cc1 729241387 YPLWFQGSOUCYFA-UHFFFAOYSA-N 462.962 5.791 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 729569322 NKRNAQDUHQNXJD-FQEVSTJZSA-N 482.556 5.045 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 730444619 ODNSLEIOXUTPBU-VWLOTQADSA-N 498.608 5.648 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(Cl)c1 730720261 PIQHWOXRTYLOOP-SFTDATJTSA-N 492.004 5.086 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 731065717 MEJJBJYPPZCAGT-PIZKADEWSA-N 482.911 5.806 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 731081037 UBRMSYDGDUKRKR-OAHLLOKOSA-N 464.509 5.559 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCCOc2ccc(Br)cc2)cc1Cl 731287220 AHYKERDKQKICPN-QGZVFWFLSA-N 479.758 5.008 30 20 JKED CC(C)(CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N)c1ccccc1 731312224 JZOSVGSMXLTEDA-XMMPIXPASA-N 498.608 5.202 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)c1 743524425 JYQKEGUUJVIHCR-DNVCBOLYSA-N 497.514 5.062 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccoc2C)n(Cc2ccccc2)c1=S 745162547 RIJAKIIMYZHNHS-UHFFFAOYSA-N 455.587 5.548 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)Nc1cccc(Br)c1 745723991 IOKKJBIMEYXPNC-UHFFFAOYSA-N 454.368 6.172 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2nccs2)C1=O)Nc1ccccc1 747603896 VXTBISSPQHEYSP-QFIPXVFZSA-N 486.622 5.499 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccn(-c2ccccc2Cl)n1 748003774 JTXGJVIZSYRGAT-SFHVURJKSA-N 456.889 5.279 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OCc2ccccc2)nc1 750668129 NWTWYJFWLWIONP-HSZRJFAPSA-N 463.493 5.414 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 750842257 HZFZZWRBVPCBTF-UHFFFAOYSA-N 469.522 5.925 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1-c1ccccc1 750911402 QBBYFCHXUTZVDY-HSZRJFAPSA-N 495.551 5.239 30 20 JKED C[C@H](OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1nc(-c2ccccc2)no1 759895605 PUKIHMVBXONCCD-KRWDZBQOSA-N 484.537 5.257 30 20 JKED C=CCN(C(=O)c1ccc(C)c(-n2cccc2)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 822221769 FFFVLWJJYMDRRI-UHFFFAOYSA-N 477.611 5.146 30 20 JKED CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2ccc(Sc3ccccc3C#N)cc2)n1 904691352 IKQDPAHYSXWIQZ-IBGZPJMESA-N 464.547 5.068 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2ccsc2)no1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102718 FSBHJKPIBSABQN-QQYMGJJXSA-N 464.616 5.531 30 20 JKED N#C[C@H](C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccccc2n1C(F)F 915105008 YCCZPJAHHYKKGB-IRLDBZIGSA-N 488.494 5.145 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3ccccn3)C2=O)c1 916206764 ROSRMCKXFKOAQT-XMMPIXPASA-N 488.613 5.374 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 916310131 UBDQFUOZKFFQFL-UHFFFAOYSA-N 459.962 5.463 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)cc1 916719665 GNNBPJCLLXEXDZ-UPIHBEMDSA-N 498.649 5.047 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC 916883547 MBZWGDPXIOZCSO-HNNXBMFYSA-N 468.909 5.413 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccc(Br)cc2)o1 916883555 MIXLMXQPHXANAZ-GOSISDBHSA-N 473.710 5.236 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCc1cscn1 916906587 FDKBVRYIWGLOGA-NRFANRHFSA-N 499.548 5.484 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916912454 ZHYJGEZGSVGHRO-IBGZPJMESA-N 454.404 5.224 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 916915151 FAHYAGLFRVGMSF-HSZRJFAPSA-N 484.939 6.042 30 20 JKED COc1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 916997188 SVEJUWFRKPPOMA-BBRMVZONSA-N 486.380 5.355 30 20 JKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 917043833 OMZVVNRDCOVFKE-CQSZACIVSA-N 465.294 5.986 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 917504991 IXTWPFMUVXKNNO-JOCHJYFZSA-N 499.542 5.620 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(I)cc2)cs1 917563290 ORDYOGUWNJQHQR-FLIBITNWSA-N 492.313 5.468 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1-c1ccc(F)cc1 917806245 XXEIEUQRGCPROC-UHFFFAOYSA-N 487.556 5.308 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)o1 918414469 HPDRODXRLIGKJO-ZYKLXPEUSA-N 453.542 5.188 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl 920017384 OHQUPKPFZHULPN-UHFFFAOYSA-N 456.933 6.118 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3ccnc(C)n3)C2=O)c1 920176022 PDQZXBNQSGHLKI-VWLOTQADSA-N 499.640 5.051 30 20 JKED N#CCOc1ccccc1C(=O)O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 920413982 LXTJNDZQFBELJX-OAQYLSRUSA-N 454.404 5.145 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c2ccccc21 920651364 BNYZWHNHPGIPFL-UHFFFAOYSA-N 467.312 5.087 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(Cl)ccnc3c2)C1 1781209668 OUKIJHLUSLCGNX-YIXXDRMTSA-N 484.040 5.008 30 20 JKED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCCCCCCc1ccccc1)C2 1782202168 LZFKGFLIFMIHHS-LEAFIULHSA-N 454.655 5.050 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1785934429 LAYVYBDHTNEEGP-UHFFFAOYSA-N 452.967 5.247 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCC2)cc1 1785936712 UFKJPVCWNZSPSG-UHFFFAOYSA-N 462.531 5.107 30 20 JKED Cc1ccccc1NCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1788112469 WBFMKUJVEBKDLF-NRFANRHFSA-N 466.585 5.482 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)oc2ccccc12 1788969380 QPIOJPQPSXNQFA-LQKURTRISA-N 455.514 5.201 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3nnc(-c4ccccc4)o3)cc2)CCC1 1789562766 DWPQEZRUVWJPDD-UHFFFAOYSA-N 456.546 5.253 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(OC)nc34)cc2)CCC1 1790023928 DKANXFNSKWTSBF-HXUWFJFHSA-N 458.562 5.088 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)c1 1790073053 KAYRILYLCWSBSX-UHFFFAOYSA-N 483.446 5.240 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5Cl)cc4)CCC3)cc2n1 1790081790 NGZOFIDYBKZCRQ-UHFFFAOYSA-N 484.943 5.723 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5occc45)CCC3)cc2)c1Cl 1790081818 QYJIMRIGYOUFGX-UHFFFAOYSA-N 470.916 5.414 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1 1790188977 VKCFUWFBLIKVLJ-HXUWFJFHSA-N 487.622 5.329 30 20 JKED Cc1nc2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)ccc2s1 1790707904 WOHQJHNKIMDORQ-UHFFFAOYSA-N 480.593 5.732 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)C4=Cc5ccccc5NC(=O)C4)CCC3)cc2)c1 1790796126 ZDBUTOSZCOTFAR-UHFFFAOYSA-N 490.563 5.040 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4sc(C)cc4[nH]3)cc2)CCC1 1790879094 IIHJCZZCYRPVLV-INIZCTEOSA-N 452.580 5.086 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CCC2)cc1 1791296412 VTQVIVXPJKTCLM-UHFFFAOYSA-N 479.568 5.025 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccccc4O)cc3)CCC2)c1 1791318147 NXPMLPLMMRBIDP-IBGZPJMESA-N 453.542 5.010 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)CCC2)cc1 1791589480 DGMZIFWEDMINRH-SFTDATJTSA-N 453.380 5.263 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]4CC[C@H]3N4C(=O)OC(C)(C)C)CCC2)cc1 1791731779 IWAYTTNBYOSIPU-KMDXXIMOSA-N 493.648 5.102 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792124944 PVMXAOKJXGNBSR-IBGZPJMESA-N 478.552 5.255 30 20 JKED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1792706066 KWLSGLAZFAQBRV-ACDBMABISA-N 475.555 5.555 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 1799840105 OPNNSWMBBKADGX-DRYVHOIUSA-N 490.688 5.384 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1Cl)C2)c1ccc(Cl)cc1 1801551966 ATMLPDMJYSLCTQ-OOICKAIWSA-N 484.427 5.557 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cccc(Cc4ccc(F)cc4)c3)[C@H]2c2cccnc2)C1 1802415050 DLYUJLAPIQGMLK-NAKRPHOHSA-N 483.587 5.097 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(C)C)c(C#N)c2)cccc1C(F)(F)F 1803843882 RWENQNPUBDIQOT-WKCHPHFGSA-N 499.533 5.238 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)s2)[C@@H]1c1cccnc1 1804460184 GZPAGZUIGMWYSW-URXFXBBRSA-N 453.652 5.083 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)C2)c1 1805328997 HQEZJZPZTCBLGD-UHFFFAOYSA-N 483.534 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)C1 1805459966 ZJRBDHKSTIHOEJ-UHFFFAOYSA-N 450.957 5.231 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1810172891 CTEVSHPVTWIJCV-BOCKYXSRSA-N 490.406 5.616 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810175683 XKTNBAFFXMLLDE-PNCHPQGNSA-N 473.951 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1810181689 JSGNKWCJQXXVGJ-LSQOFAOZSA-N 451.655 5.462 30 20 JKED CC(C)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811252204 UJXGNPMGSVFNDH-JDXGNMNLSA-N 479.624 5.237 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812219452 YEEHCWDWQFVJBZ-BVAGGSTKSA-N 473.642 5.693 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812514976 NQSFZNYJEQSYLK-MCWSDJLFSA-N 468.041 5.393 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@H]1c1cccnc1 1812591013 XIKBYELODZPJJR-OEQAEZTDSA-N 485.603 5.343 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@H]1c1cccnc1 1812591489 HLPIGOJRINSYOV-PXARDIRTSA-N 497.920 5.425 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1813225169 JNOQLKOVHXJXHR-ASWYTMLNSA-N 483.534 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1814067112 QVAMTAUAGCJTEL-FDTGPBLFSA-N 477.571 5.225 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(C)(C)C)nc3)n[nH]2)c1 1814352029 GFHUQVWEPOGNDO-WZONZLPQSA-N 484.604 5.349 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)[nH]n1 1814443893 HGSKEMBCIPIEDZ-OAQYLSRUSA-N 461.566 5.363 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1814738445 DTHOZINGJKCBDP-LJQANCHMSA-N 489.626 5.496 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)n[nH]2)C1 1816178519 HIFMTSYEWOSLCL-OAQYLSRUSA-N 498.509 5.091 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1 1816823651 HYIWLRUDUXRRDN-HHHXNRCGSA-N 491.595 5.302 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c3ccccc23)n[nH]1 1818984154 UOENEENEJHBXBF-FQEVSTJZSA-N 494.393 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)[nH]n1 1819309853 JVLXXHPBPZMHJO-LSWJPFSZSA-N 450.583 5.028 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(C(C)(C)C)cn2)[nH]n1)c1ccccc1 1819519548 VGWCQTSOMSGEKI-ZJSXRUAMSA-N 498.631 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cncc(C(F)(F)F)c2)n[nH]1 1819929158 QGVDMIKJERKWGY-SFHVURJKSA-N 463.504 5.122 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)n[nH]1 1820081909 KEBXQDAVSWVSNJ-RUZDIDTESA-N 494.599 5.453 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ncccc34)[nH]n2)c1Cl 1820219133 KLQPTQWENFMEGP-JOCHJYFZSA-N 484.947 5.103 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)[nH]n2)cc1 1820548588 IMKCGSBCNUYWAK-SANMLTNESA-N 491.551 5.693 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1)NC(=O)OC(C)(C)C 1820903448 ULSYNHYLYCZCLM-STNJVZKESA-N 499.656 5.008 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)CC1 1821179376 CFNVQSKFVNYPLG-HSZRJFAPSA-N 461.610 5.388 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)[nH]n2)c1 1821275134 DUPQQFNKFBHKSM-QFIPXVFZSA-N 490.926 5.175 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2O)n[nH]1)c1ccccc1 1821501828 BNWPDQREPPHEBV-HYBUGGRVSA-N 496.567 5.365 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823217045 GNULVBICBPARCU-WZONZLPQSA-N 471.561 5.055 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)ccc2[nH]1 1823218092 YGGAXFKJDIMAAN-SSOJOUAXSA-N 480.572 5.446 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823309151 KDFTZQJZBHZKES-INIZCTEOSA-N 490.860 5.599 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CC(c4ccccc4)(C2)C3)n[nH]1 1823593512 QTQKRXGOLYXYRI-BOBIYIOCSA-N 458.606 5.292 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603413 DMYGZGWIMBRZDO-NLFFAJNJSA-N 489.620 5.297 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1823664451 JLRGRUXDPDMQSX-MHZLTWQESA-N 496.611 5.079 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823683076 ILFLFCIQFXTRNH-SANMLTNESA-N 499.611 5.185 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cn(-c4ccccc4)c4ncccc34)CC2)C1 1823700098 KQMYJTNWGXZPGQ-HHHXNRCGSA-N 482.628 5.225 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1823750983 YKXMCEPPOLKSLP-VWLOTQADSA-N 482.665 5.270 30 20 JKED O=C(c1ccccc1Oc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824413758 WVNXCBJLIXKAIY-SANMLTNESA-N 456.586 5.126 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1824538616 MWEJIMLTGMSVTP-DHIUTWEWSA-N 460.684 5.052 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824876585 STLIRUFICIQHED-LJQANCHMSA-N 496.467 5.810 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824955730 SNCAGWIKAMMBLY-MHZLTWQESA-N 474.645 5.607 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2c1 1825098223 QTPPFTQDVFWFNN-PZGXJGMVSA-N 496.655 5.579 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1826691624 YYXCJLVFMJEIOU-IBGZPJMESA-N 488.451 5.201 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)c2O1 1827516507 XDMSQWFNYQSKDZ-MHZLTWQESA-N 499.655 5.138 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2O)CC1 1828830512 OIPPUYIONCDCPX-NFBKMPQASA-N 450.579 5.140 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1 1828906834 KFLDWYPFMGOAPO-XNMGPUDCSA-N 494.752 5.051 30 20 JKED O=C(c1cc(Cl)c(Cl)cc1F)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828999216 HLYCCMXBABCPCN-BXPUGBIQSA-N 494.394 5.078 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)CC1 1829457062 MNYCEOLZKRSNFU-NRFANRHFSA-N 464.437 5.390 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829685701 NUGGMEPBWQFCCG-UQBPGWFLSA-N 494.035 5.257 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c1Cl 1829688743 HMYLCHMAINRSJL-HXUWFJFHSA-N 482.005 5.566 30 20 JKED COc1cccc(-c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)c[nH]2)c1 1829953461 AVCVEDZCOHRADI-NDEPHWFRSA-N 496.611 5.109 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)c1 1829955207 YYVAZCZJWYZKAU-WOTGAKFBSA-N 461.650 5.398 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492934 CCEBEHGUTJNSSI-HHHXNRCGSA-N 458.602 5.516 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)S)CC2)cc1Cl 1830783923 QJQUCQZVOBQFIE-FOIQADDNSA-N 487.493 5.332 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c1 1830904746 NBEXBQDBCKHTEQ-AREMUKBSSA-N 469.585 5.171 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1830995675 ZNIXPCMHLCVEHY-DEOSSOPVSA-N 474.992 5.240 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831376390 MTNFLEOWTLVXLG-PGRDOPGGSA-N 450.545 5.080 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCC2)CC1)c1ccc(O)cc1 1831924911 NKFXDGUCDNBPKN-VPUSJEBWSA-N 464.650 5.089 30 20 JKED COc1cc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1832634114 RTZFULMRFWZVGX-IQGLISFBSA-N 495.570 5.148 30 20 JKED COc1ccc(F)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635887 XTFFSUQOIJDBCT-UQBPGWFLSA-N 477.580 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)CC1 1832662051 QHEPVOGMTKZVBF-QPPBQGQZSA-N 459.030 5.350 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)CC1 1838521638 AWTIAIZGWQUBFZ-LJQANCHMSA-N 491.657 5.274 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)c(Cl)c1 1845488436 LINMVCGXXSRHSL-UHFFFAOYSA-N 484.943 5.084 30 20 JKED CC(C)Cn1c(SCC(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1Cl 9847677 LTVUVIRXKHSCQI-UHFFFAOYSA-N 466.438 5.343 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1ccc(Cl)cc1 10836200 XVZNQBHNLGUHID-UHFFFAOYSA-O 452.770 5.691 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1cccc2ccccc12 11125334 QJUQQYAPNGQERZ-UHFFFAOYSA-O 490.446 6.503 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccccc2C(F)(F)F)cc1 11156979 UDIJNZLEXXDSSO-UHFFFAOYSA-O 487.523 5.377 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 14871835 JLXFMSHWVLOITP-UHFFFAOYSA-O 462.595 5.793 30 20 JKED C=CCn1c(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2sc(-c3ccccc3)cc2c1=O 16213338 RWSMKFDZRNGTDY-UHFFFAOYSA-N 493.013 5.493 30 20 JKED Cc1nc(COc2cccc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)c2)cs1 17737206 DJPWZGLMSQMXDO-UHFFFAOYSA-N 481.599 5.028 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nnc1-c1ccc(F)cc1 24838832 PGIPSXQASWXSHA-UHFFFAOYSA-N 493.633 6.320 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 27080187 LRBADRVVEHIYIV-KRWDZBQOSA-N 485.009 5.064 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1OC 45839683 MBMQVDNSYLZJFY-MRXNPFEDSA-N 456.999 5.529 30 20 JKED C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S[C@H](C)CC)cc2C(F)(F)F)ccc1F 109736154 DOBMXDPMEKPKDK-CYBMUJFWSA-N 490.544 5.452 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cn2c1 195664259 UXOICYVGUHAWOW-IBGZPJMESA-N 472.957 5.975 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 254447105 BLYZSBXFZOBMLI-MJGOQNOKSA-N 491.585 5.141 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)nnc1-c1ccncc1 303007530 WBLZBELXJSBGGW-HSZRJFAPSA-N 476.005 5.177 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 303329887 WFTYJUZYOVATRY-OAHLLOKOSA-N 478.574 5.155 30 20 JKED N#CCc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)cc1 479307170 MPVWXQGJTUSTFN-NDEPHWFRSA-N 472.548 5.367 30 20 JKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 480925879 CTFVYDBRBXXILL-UHFFFAOYSA-N 473.529 5.088 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2F)c1 481578347 YUXQNGISTPDTJT-UHFFFAOYSA-N 457.505 5.403 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 487040016 ZWNCUXUCXHLTFB-OAQYLSRUSA-N 495.604 5.927 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)oc2ccc(Br)cc12 487288412 HIVUUCOLSFHCSV-UHFFFAOYSA-N 452.333 5.675 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 500257819 QDFSLUOVOKUZEJ-UHFFFAOYSA-N 471.564 5.072 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1nncn1-c1cccc(Cl)c1 500765964 HEYYXMCDTQMKJI-UHFFFAOYSA-N 475.961 5.624 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nc2cc(Cl)ccc2c1=O 501202519 JBHLHURFACOQDU-GFCCVEGCSA-N 459.358 5.793 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1Cl 510211659 VRMXYADSPUIXNU-URXFXBBRSA-N 494.378 5.187 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 510411602 KFXDFPRVWQILRE-UHFFFAOYSA-N 452.370 5.786 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 510856028 DHBIMONQXFDKIH-UHFFFAOYSA-N 497.599 5.064 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cc1 510988863 WXPNOWQWPHVHOB-UHFFFAOYSA-N 456.590 5.702 30 20 JKED Cc1ccc(-n2nnc(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c2C)cc1 511158868 GKLDFRUBLGKNAD-UHFFFAOYSA-N 496.518 5.003 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CC1 512261816 CLPWZDASMWZUSO-UHFFFAOYSA-N 470.451 5.021 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 513665618 GLJWWIJSIPHVPZ-NRFANRHFSA-N 480.549 5.216 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515449307 NYNKPJKRDNMBKW-UHFFFAOYSA-N 483.553 5.355 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516269920 DWHNNCOZBRCEQN-SFHVURJKSA-N 460.971 6.257 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 516270207 PLDFBSRLQYHVPV-KRWDZBQOSA-N 451.935 5.623 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 516710652 MCJHQUFFJDXJPB-IBGZPJMESA-N 457.530 5.262 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 518683572 YEAWKSJRZWLLFI-QRWLVFNGSA-N 466.607 6.400 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 519095890 FWTPMUFQEHEFLD-OAQYLSRUSA-N 467.569 5.713 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1SC 520837524 YRYOQYIFTOTICR-UHFFFAOYSA-N 471.482 5.602 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)cc1 521001876 RWGPHGZPYOWIAB-UHFFFAOYSA-N 489.578 5.143 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3c4c(nc5ccccc35)/C(=C\c3ccco3)CC4)CC2)c1 521512925 SKKDDKURUOGULV-UZYVYHOESA-N 475.548 5.870 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 524389563 OUSSSUROOYPSSI-UHFFFAOYSA-N 457.530 5.890 30 20 JKED CCn1c(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)nnc1-c1ccccc1C 524412944 HPUGDTKABOVLLB-UHFFFAOYSA-N 483.597 5.455 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1Cl 551185669 FLOJXDFQXJASDJ-OAQYLSRUSA-N 497.904 5.758 30 20 JKED C=CCN(Cc1csc(COc2ccc(Cl)cc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 557726833 YADBGKPREMRVIG-KRWDZBQOSA-N 466.998 5.100 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc2ccccc2n1C(F)F 570413828 IPNUVJGMCGBDLR-IBGZPJMESA-N 457.440 5.148 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 588275145 WIZHHNZMLRBIMM-SFHVURJKSA-N 488.897 5.350 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)o2)cc1 592545519 VYGDBXKVRHDEDZ-AREMUKBSSA-N 462.553 5.340 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 603697237 WYZMFHPKRYKZCH-UHFFFAOYSA-N 490.563 5.331 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 604003660 KJZGXMSCOCLRPX-VXKWHMMOSA-N 450.460 6.093 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1 608792950 QFZBCHURQZCJPJ-HHHXNRCGSA-N 470.592 5.321 30 20 JKED CC[C@H](c1ccccc1)c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)o1 609018909 SGNJORZEOSBSCE-DOTOQJQBSA-N 466.632 5.790 30 20 JKED CN(C(=O)Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1)c1ccccc1 609058412 QWBQIDQTOTXJAT-UHFFFAOYSA-N 465.509 5.188 30 20 JKED Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C(C)C)c1 609061439 CDSZLYIRQKFEBQ-SANMLTNESA-N 455.558 5.147 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)cc2)c1 609063862 MBYAERGSWJMEBE-HXUWFJFHSA-N 480.490 5.406 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 609085410 PKSIQXLXZOIULL-HSZRJFAPSA-N 492.000 5.391 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 609207540 CPQSCDSMJAETDY-HSZRJFAPSA-N 487.535 5.013 30 20 JKED COc1cc(CN(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 612314643 QBPDOUNVHGXBRJ-UHFFFAOYSA-N 482.502 5.486 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346393 IEBNIWHCYIWBRR-KRWDZBQOSA-N 498.416 6.921 30 20 JKED C[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 615325347 DBGNHCIKOXPORZ-GFCCVEGCSA-N 452.370 5.562 30 20 JKED O=C(NCc1cc(F)cc(Br)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615871013 VZDWLNLGAFRMLC-IWIIMEHWSA-N 465.207 5.297 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 616337591 ZXIDCBBJAUJLDA-UHFFFAOYSA-N 462.268 5.235 30 20 JKED O=C(NCCCc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620148069 XJGXCFCOJMBXQO-KBPBESRZSA-N 464.372 5.847 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCCOC1CCCC1)c1cccs1 726420184 HQGYBZWNOWYJIT-NBPTVTIOSA-N 485.675 5.487 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(CCc2ccccc2)Cc2cccnc2)c1=S 726965897 PQVIOLVYBLLUAN-SANMLTNESA-N 499.640 5.210 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccccc3Cl)n2)c1 727561846 NLJHCNGNHFAQGE-QGZVFWFLSA-N 467.978 5.573 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)Nc1sc2c(c1C#N)CCC2 727563481 MEHITDHWTHLLKX-NSHDSACASA-N 457.964 5.069 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3ccccc3C)cc2)cs1 727781147 FTVQMRNJRATMFS-WJDWOHSUSA-N 486.568 6.750 30 20 JKED CC(C)[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccccc1Cl 728110199 XEXXMFGTDAPCPO-QFIPXVFZSA-N 452.894 5.204 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(SC(C)C)cc2)cs1 728442057 UYFBDWXEJVISOF-MDWZMJQESA-N 457.020 6.878 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)COc2ccc(C3SCCCS3)cc2)c1 728722846 IKJHLAIHTMNAAU-HXUWFJFHSA-N 498.670 5.430 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CCCCC#N)C2=O)cc1 728776210 MVFPJXAOODUYHD-VWLOTQADSA-N 499.640 5.560 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)cc1 728780344 RCCFIWZTSJVPMP-NRFANRHFSA-N 486.544 5.018 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729143965 SYVPQIOZZRWEBQ-PZJWPPBQSA-N 459.974 5.088 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2scnc2C)cc1 729146526 SHFYRDPTKRBIGJ-HXUWFJFHSA-N 464.616 5.229 30 20 JKED N#Cc1cccc(OC2CCN(Cn3nc(N4CCCC4)n(-c4cccc(Cl)c4)c3=S)CC2)c1 729466817 ADKWFGXIDTYWDE-UHFFFAOYSA-N 495.052 5.029 30 20 JKED C[C@@H](c1nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c(=S)n1-c1ccc(Cl)cc1)N(C)C 729472353 KRAVNMIOKNZBPC-SFHVURJKSA-N 497.068 5.052 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 729556644 ZKHFXZYANVRUAX-REWPJTCUSA-N 491.592 5.389 30 20 JKED N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc2ccccc2o1 729891363 GIPDGBDXTAYCGH-NRFANRHFSA-N 452.901 5.753 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(OCc3ccccc3)cc2)cc1 730439787 AKRMPZBINKSZNE-UHFFFAOYSA-O 478.597 6.057 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1ccccn1 730522374 RZOGJJMAYYCHPG-HSZRJFAPSA-N 458.587 5.113 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3c2CCCC3)cc1 731135661 GAGCFDXMJKVNSS-SFHVURJKSA-N 467.356 5.328 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccc(F)cc1F)C(=O)Nc1ccccc1Oc1ccccc1 743449622 SYDDOGUQXNSLBK-IBGZPJMESA-N 450.441 5.264 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(Cc2ccsc2)C1=O 743525512 QRTQWEGJYHYPHM-OAQYLSRUSA-N 483.590 5.365 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 745078978 ISRZOOXBGGNBRW-UHFFFAOYSA-N 470.916 5.245 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(Br)cc1F)c1nc2cc(C(F)(F)F)ccc2s1 745313948 ZXXANTOPSICTLH-ZDUSSCGKSA-N 471.273 6.026 30 20 JKED CCOc1cc(/C=C\C(=O)c2scnc2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 745626940 WLPIYRWUUDUMOP-CLFYSBASSA-N 490.503 5.783 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1S(C)(=O)=O 747061788 OGOUMVFQYAVZBH-YVMONPNESA-N 451.327 5.562 30 20 JKED COc1cc(C(=O)/C=C/c2c(OC(F)F)ccc3ccccc23)ccc1S(=O)(=O)C(F)F 747065982 HJCXYTFCUPQHBT-CMDGGOBGSA-N 468.424 5.342 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSCc2cc(-c3cccs3)on2)cc1 747111671 MHUVSYKXIQZLCR-HNAYVOBHSA-N 453.589 5.497 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cscn3)C2=O)c1 747601836 ICKJBZNSKJASJU-NRFANRHFSA-N 499.061 5.882 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c1 747602135 YFKFGHPIWAJMES-JOCHJYFZSA-N 478.643 5.537 30 20 JKED O=C1CCCCN1Cc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1 747614949 PGTLXRZJVIGXBP-UHFFFAOYSA-N 466.173 5.180 30 20 JKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCOC2=O)cc1 748583608 HWXPNCWWMSVNJX-WCIBSUBMSA-N 481.335 6.098 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 749704927 HFROAFVYSUVVAD-UNMCSNQZSA-N 495.649 5.249 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@H](COCC(C)C)c2ccco2)C1=O 750911750 REGVDBXGAXLJDA-IEBWSBKVSA-N 498.432 5.068 30 20 JKED C[C@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)N(CCC#N)c1ccccc1 828582803 KUTKZDMWZVQCNC-NZQKXSOJSA-N 460.603 5.157 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O)Nc1ccc(F)c(Cl)c1 837300610 ILNHNWSNRIGHEI-HXUWFJFHSA-N 486.931 5.174 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1ccccn1 837300684 BIQWWMTXAYDAKJ-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837745403 SZTDDMZASKKLOH-HJPURHCSSA-N 490.560 5.145 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccs2)C1=O)Nc1ccc(F)cc1F 837773534 KVAYFFIWBQAGKU-FQEVSTJZSA-N 489.544 5.368 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1OC 838503297 LHZCFLLIKUGYJF-LJQANCHMSA-N 479.524 5.474 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=Nn1c(S)nnc1COc1ccc(F)cc1 839415461 LDQICRGWKJSSHH-UHFFFAOYSA-N 491.379 5.027 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3cc4cccc(OC)c4o3)cc2OC)o1 916130028 DZXPUXNBINIRHA-YFHOEESVSA-N 462.454 5.305 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916134920 XZMPFTSOOJPLFN-SDQBBNPISA-N 471.431 5.333 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccco2)c1 916204833 DYUGLHBLXLUWQF-NRFANRHFSA-N 483.977 5.411 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccccc3)C2=O)c(OC)c1 916206280 POMMTWFYFZSFLZ-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CCOc1ccc(N=C2NC(=O)[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)S2)cc1 916231617 NRSBZULDJDMPHQ-QFIPXVFZSA-N 461.543 5.126 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1nccn1-c1ccc(C(C)C)cc1 916910667 YFGJFYISEYLGFI-HSZRJFAPSA-N 474.630 5.560 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)c2cc(Br)ccc2OC)cc1 916956271 ZEQDXJDBEBJVSF-YWZLYKJASA-N 485.378 5.282 30 20 JKED COc1ccc(/C=C2/N=C(SCCOc3cccc(C#N)c3)N(c3cccc(OC)c3)C2=O)cc1 917156174 YTDYPVZUMDUQLQ-PCLIKHOPSA-N 485.565 5.131 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2ccc(C(C)C)cc2)cs1 917534141 VGEWJDTUJPBZOU-UHFFFAOYSA-N 472.039 5.925 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)cs1 917560606 SQLKCKYIQYFZRM-RAXLEYEMSA-N 466.538 5.393 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc2ccccc2c1 917700605 LXKMAQRSOCJJIY-HXUWFJFHSA-N 471.504 5.839 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cccs2)C1=O 917704916 ZWFWJHVFOOEOBQ-NRFANRHFSA-N 495.029 5.742 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc(S(C)(=O)=O)cc1 918168068 QFXNVMLEXDWWFL-DEOSSOPVSA-N 495.000 5.010 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 918487607 VXPWOHTWWXEWCP-CQSZACIVSA-N 479.161 5.367 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 919962210 VFAYMDWLPYXVBO-UHFFFAOYSA-N 477.325 5.465 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 921253404 KNFBVKHNSOITQH-HXUWFJFHSA-N 477.989 5.256 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)N(CCC#N)c1ccc(F)cc1 926220790 QTLJQQBQDHSQJS-OAHLLOKOSA-N 471.941 5.024 30 20 JKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C3(NC(=O)[C@@H](S)C(C)C)CCC3)cc2)cc1 1786199739 HIJNSPZUWBYKDH-VWLOTQADSA-N 482.646 5.137 30 20 JKED Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)S)CCC2)cc1 1786308981 YCSOFEUQBGRBTC-XMSQKQJNSA-N 497.661 5.013 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1 1786548456 XINMHBUOJXZGGK-OOICKAIWSA-N 495.664 5.416 30 20 JKED CC(C)(C)n1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)cn1 1787069806 CPEOWIIYRZEQPB-UHFFFAOYSA-N 478.713 5.437 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5c(Cl)cncc5s4)cc3)CCC2)c1 1788312273 QKQZMLKRGDTMRZ-UHFFFAOYSA-N 486.984 5.883 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)CCC1 1788524334 FAEGFJFPGVCUPB-HXUWFJFHSA-N 483.653 5.512 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)[nH]c2c1 1788976116 UKZUQEFMLMEKJY-UHFFFAOYSA-N 464.525 5.110 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nc[nH]c5c4)cc3)CCC2)c1 1789278718 OYOPNCRCYOQXPF-GOSISDBHSA-N 463.541 5.251 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)[nH]3)CCC2)cc1 1789508157 QVYIPFJKNIJCHV-UHFFFAOYSA-N 489.614 5.832 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nc(O)c3)CCC2)cc1)c1ccccc1 1789600189 FUNBRMIPBGRYME-VWLOTQADSA-N 467.569 5.041 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4cccc(Cl)c4)CCC3)cc2)c1 1790256527 SQMXETMFVZPYLU-UHFFFAOYSA-N 459.933 5.038 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1 1790266103 NMIYNMORWRUJOV-QFIPXVFZSA-N 496.007 5.004 30 20 JKED C[C@@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1)Oc1ccccc1 1790524423 XGNLHRJGZIFDPE-FQEVSTJZSA-N 485.559 5.232 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ncc(Cl)cc3Cl)CCC2)cc1)C(F)(F)F 1791302346 HOOUALWIOJBPRJ-UHFFFAOYSA-N 458.267 5.255 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H](C)CCN3C(=O)OCc3ccccc3)CCC2)cc1 1791587643 AQUSHELZUMNYCZ-OFVILXPXSA-N 489.616 5.134 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4Cl)CCC3)cc2)c1 1792124746 GEZKOBONOXMWIK-KRWDZBQOSA-N 458.949 5.424 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1798333576 BQZNXAAUXGLIFD-LRSLUSHPSA-N 473.642 5.917 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1802493939 ZTKDZUJKRGINBF-OLHNFOQUSA-N 451.636 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1803420799 OMOZVMUKNJZCPC-BKULYWANSA-N 465.663 5.261 30 20 JKED Cc1ccc(S/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)cc1 1803680611 HUGXXPVDOXFGBF-WBTUDOLXSA-N 459.615 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1805371286 JLHBBYREFMYXIP-XFAFFCHDSA-N 484.600 5.133 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)CSC4CCCC4)C3)CC2)cc(C(F)(F)F)c1 1805987831 NWDLYOQGUPOMDM-UHFFFAOYSA-N 493.595 5.098 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CC2)C1 1806028202 YVTJNUNMHIHESR-HFZDXXHNSA-N 496.598 5.321 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2c2cccnc2)cc(C(C)(C)C)c1 1806857169 GNHRPALDRGFQEA-SQJMNOBHSA-N 486.660 5.300 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)c3nc(C(C)C)cs3)C2)CC1)c1ccc(O)cc1 1807354491 AIKZUYMIKNUUAV-JOCHJYFZSA-N 493.673 5.014 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@@H]1c1cccnc1 1808577847 LPYMUAXKANHAON-XLIONFOSSA-N 498.496 5.014 30 20 JKED CC1=CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC1 1809487820 GAZXQWJTBQSGBE-PTLVVNQVSA-N 496.533 5.038 30 20 JKED N#CC1(C(=O)N2CCCC3(CCN(C(=O)c4ccccc4Oc4cccc5ccccc45)CC3)C2)CC1 1809499547 DEFFEXNWTOITCU-UHFFFAOYSA-N 493.607 5.781 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1810271577 HZILWUGYNORHFP-IAPPQJPRSA-N 489.736 5.576 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1810501047 FEMVBGLWGZMAPU-PGRDOPGGSA-N 491.529 5.552 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c(Cl)c1 1810685553 KVPIUUVEWFEMSQ-MBSDFSHPSA-N 497.357 5.033 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)CC1 1811368600 SPOLSFPAPLPYJS-FOEQRGQYSA-N 472.633 5.074 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)cc12 1811742970 LJRKSSWRHOHCBL-FNZWTVRRSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1811996477 BDUCQOIHHIPCCL-ROKPMTFOSA-N 486.443 5.785 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812515082 YBGIAFPTFBDHAL-MVNQZMKCSA-N 480.052 5.374 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1812589981 DXRJRQSAQXKLNO-WPSZSDGUSA-N 474.432 5.239 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813977930 UGCWLBDCFLDGBY-YCRPNKLZSA-N 498.863 5.281 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)c2s1 1814379845 VYUXWMSPIHFPMS-HSZRJFAPSA-N 498.612 5.138 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@](C)(OC)c2cccc3ccccc23)n[nH]1 1814408709 XEDZCPKRYOGYSU-QHPDVLMOSA-N 474.605 5.329 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[nH]n2)cc1 1814497550 CFFDRLPTIIZQDA-KBOSCXGNSA-N 473.621 5.123 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)[nH]n1 1814828665 DDACGUCGEAYHJD-NRFANRHFSA-N 463.607 5.402 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cn3ccc4c(F)cccc43)n[nH]2)c1 1814832864 HWRBHYBXKLNLRI-IQGLISFBSA-N 498.562 5.137 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)C#CC4CC4)n[nH]3)c2c1 1815116211 CZYFYMBSNVYQJB-QFIPXVFZSA-N 488.588 5.082 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1815218653 PLUWQAUGMMLYRD-HTAPYJJXSA-N 487.560 5.048 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1815246069 FTUWQABYLWMRLI-SJLPKXTDSA-N 488.963 5.342 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1817093992 ZKEBUTNBWATXDR-MRXNPFEDSA-N 494.411 5.145 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4c3OC(C)(C)C4)n[nH]2)c1 1817945002 JXSCGJZSDQBLJG-HOYKHHGWSA-N 497.599 5.370 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ncccc34)n[nH]2)c1 1818474349 CZRCKULFRLJDOR-CJAUYULYSA-N 478.556 5.205 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(F)CCCCC3)n[nH]2)cc1C#N 1818883816 ULSKBZCLZDDDLT-OAQYLSRUSA-N 481.572 5.047 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)[nH]n1 1819308011 SJKDPVDZPZPBRH-QAPCUYQASA-N 495.933 5.551 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)[nH]n1 1819386916 OWEVZTGYORLEDN-NRFANRHFSA-N 472.612 5.045 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820079943 QIDORVPTPJLFJG-QHCPKHFHSA-N 453.546 5.211 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)c1cc(-c2ccccc2)n2ccccc12 1820081160 WYXYYGXGEPBIBW-VWLOTQADSA-N 477.568 5.049 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)n[nH]1 1820082633 XTCKDXDBMNEVGX-UUOWRZLLSA-N 482.588 5.471 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1F 1820218179 UMPHEGGLROHBIK-LJQANCHMSA-N 465.916 5.002 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1 1820483066 RTNHWZBKYRBQNY-OAQYLSRUSA-N 459.550 5.100 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[nH]n2)c1 1820484571 CJXIZNBBFNIXJW-BQUSRXHISA-N 459.594 5.194 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1F 1821280477 URSFVXIVJPELKE-OAQYLSRUSA-N 483.906 5.141 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1 1821987301 MNZVPSHXSJEKQS-HNNXBMFYSA-N 457.308 5.234 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2C)[nH]n1 1822399995 DWBHIUNYLCYKLX-QGZVFWFLSA-N 465.779 5.016 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(N(C)C)cc3)n[nH]2)c1 1822615402 NXVOFBGIAHCIDR-RXFWQSSRSA-N 498.631 5.041 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1823132574 JEMGCCAVCOVUCB-HXUWFJFHSA-N 498.370 5.216 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)[nH]n2)c1 1823212158 LOEYHTKSHXEVQJ-BCHFMIIMSA-N 494.599 5.457 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216605 XKZSHZYQJRNICU-HXOBKFHXSA-N 475.980 5.618 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823307514 UJCPXZOFPHCNPQ-SJLPKXTDSA-N 488.963 5.342 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C1 1823702148 VXKOWGOUGKXKRN-SANMLTNESA-N 458.602 5.678 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)cc1 1823811982 HDMHBKXXQYQOLG-KCPYNUOSSA-N 475.677 5.327 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824224541 QQTGUASJXNUJMA-MHZLTWQESA-N 477.649 5.107 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1824545046 RTVYOMOJNYMURV-UXHICEINSA-N 475.457 5.320 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)c(Cl)c1 1825002556 RKSDEFDDJRCINI-SANMLTNESA-N 494.035 5.005 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c1 1825853514 KBBYZXYPROSAKW-OAQYLSRUSA-N 470.038 5.139 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826782462 WTCGZTDDKLDSAD-CXXWFMJBSA-N 475.677 5.178 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)ccc(F)c1F 1827684625 KUMNPFWOKACPGQ-GLCJEOIMSA-N 486.584 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)CC1 1827720148 RUCZMMLFJRQBNK-ISKFKSNPSA-N 478.662 5.207 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827779262 PHKURXUZJSNUHY-GCJKJVERSA-N 467.576 5.533 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321635 UIZGQXNSPKEOQR-NFBKMPQASA-N 489.081 5.361 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1)C(F)(F)F 1828357089 OQBMZGUYQXLGPU-GLCJEOIMSA-N 460.496 5.184 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 1828827896 YXJNEFNJGCPCPD-DQEYMECFSA-N 461.606 5.343 30 20 JKED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)CC1 1829695721 RSZYRRZKPRTWDJ-DEOSSOPVSA-N 482.983 5.021 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1829701022 DFNOJEMYXQPQBR-DEOSSOPVSA-N 475.976 5.505 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cc4ccc(F)cc4)c3)CC2)c1 1829775313 BUOQEBLKHXDRQA-NDEPHWFRSA-N 498.602 5.163 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Br)ccc3F)CC2)c1 1829951086 ULLSUEWCBANTKN-QHCPKHFHSA-N 498.396 5.007 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)ccc1F 1830361773 UZCMZBRGXSMSHW-MHZLTWQESA-N 473.592 5.051 30 20 JKED Cc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)s1 1830601769 HPQRLHDNGONXSK-HHHXNRCGSA-N 497.664 5.398 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c1 1830910593 KCWZBKQAEOHLTG-FNZWTVRRSA-N 469.585 5.607 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nscc23)CC1 1830971701 QKXIAQHDACPQSD-RUZDIDTESA-N 495.765 5.581 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)c1 1831226710 ZEHSVWKSYWFODL-SQJMNOBHSA-N 494.010 5.314 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCc3cccc(Cl)c32)CC1)C(F)(F)F 1831226798 ZXBQSLYLPMPBNC-ICSRJNTNSA-N 468.947 5.108 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1832028667 UKQTWEAFTQJQTM-HSZRJFAPSA-N 498.465 5.357 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)cc1C#N 1832704048 FBBKRRFYZKSSLT-AREMUKBSSA-N 499.611 5.639 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1 1832786760 ZVVHUWRCHZZIOK-SANMLTNESA-N 487.644 5.311 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)/C=C/C3CCCCC3)CC2)CC1)c1ccccc1 1838416954 ZFLCDAIGTGNENH-DHTPLPAHSA-N 490.688 5.319 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C)cccc3Cl)CC2)CC1 1838423868 JVORVVMRPWCHHE-UHFFFAOYSA-N 461.046 5.253 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C3)c1 1846828924 UYLIUOUIJZIABT-AWEZNQCLSA-N 493.888 5.256 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 10179070 STEQRKHQBSCAOV-UHFFFAOYSA-O 492.451 6.923 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccc(Cl)cc1 11809941 GHZVILMWHDVJLH-MRXNPFEDSA-N 488.082 6.088 30 20 JKED O=C(C[C@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1ccccc1C(F)(F)F 15231816 CEWSWVVDRWUTCR-OAQYLSRUSA-N 499.514 5.532 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 22149993 AZGKQJGVDFHFQH-UHFFFAOYSA-N 475.574 5.420 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(Br)cc1 22206351 IMYSMXZCEFCTPP-UHFFFAOYSA-N 491.842 5.895 30 20 JKED N#Cc1c(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)sc2c1CCCCC2 22248174 QZHLDPWWPMXFCN-UHFFFAOYSA-N 462.522 5.581 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccco1 28504269 ZHLCZOFCSMNOEX-MRXNPFEDSA-N 466.563 5.275 30 20 JKED Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1NC(=O)c1ccc(Br)cc1 32244172 OSICLNANYFBFRB-INIZCTEOSA-N 462.347 5.373 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 32786552 AGZDIHJFGBEZSN-AWEZNQCLSA-N 480.943 5.846 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1 105945968 IOYQAEAYVUGFJH-UHFFFAOYSA-N 452.514 5.256 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 195589779 WMXTVRJPKJDSHN-UHFFFAOYSA-N 469.335 5.131 30 20 JKED N#Cc1cn(CC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)c2ccccc2c1=O 208003353 HFMKCGJXKUEDLX-QUIJDTPESA-N 498.586 5.696 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 488187460 UMHYJFVJHMDQGC-UHFFFAOYSA-N 452.458 5.274 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)c2)cc1 501445116 CPKGOFXTLZCMCW-UHFFFAOYSA-N 462.509 5.231 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 505681335 ZCNDLUKLNDBZNS-UHFFFAOYSA-N 465.465 5.655 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 506441293 RHGUIUQXOIWMGI-UHFFFAOYSA-N 488.382 5.173 30 20 JKED COc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Br 507002277 KOPIGGCAHHRVDE-UHFFFAOYSA-N 467.388 5.552 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(Br)cc1 507795790 KNDFKTLGWFZTSP-UHFFFAOYSA-N 461.360 5.154 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 509659880 WIPKVWCKANVFCP-NVQXNPDNSA-N 473.529 5.019 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc(C)nc21 511772486 QPHFQXPVHBPPOM-QGZVFWFLSA-N 452.518 5.087 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 514421072 HNCCHZGNCAYPIL-NHCUHLMSSA-N 498.583 5.475 30 20 JKED Cc1nc(COc2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2)no1 514907457 FKSSYAUZOUQCJR-INIZCTEOSA-N 450.564 5.294 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)nnc1-c1ccc(Cl)cc1Cl 516136359 IAJSLRAWXIESEQ-GUYCJALGSA-N 477.417 5.563 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSCc2ccccc2)n1 516795667 SVHNETJTGJQADB-SFHVURJKSA-N 476.579 5.989 30 20 JKED CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 516836828 ACJQGJNSRKSQAI-FQEVSTJZSA-N 470.573 5.119 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3ccccc3SCCC#N)nn2-c2ccccc2)cc1 518123895 ZSFVJOLMMJLEMJ-UHFFFAOYSA-N 454.555 5.806 30 20 JKED CC(C)c1nnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1Cc1ccco1 518653920 OLWVSLFEXNMYHH-INIZCTEOSA-N 455.609 5.168 30 20 JKED CCCCOc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 518813679 CNQBQMMDVXTGFB-UHFFFAOYSA-N 459.571 5.720 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 519440527 KWJBWAJRCCWBRP-ZIAGYGMSSA-N 450.391 5.403 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(OCC(F)(F)F)cc1 520005851 HHMFQDDLCPMRPH-MRXNPFEDSA-N 483.446 5.108 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 521259290 LJMBRCONCUTAKZ-OYHNWAKOSA-N 469.010 5.572 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 524705407 ZEBQISGTEHUQFH-UHFFFAOYSA-N 493.941 5.575 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)c1C 558749305 NYQGFSAITFYCFS-QHCPKHFHSA-N 484.581 5.208 30 20 JKED CC(C)(NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589758454 KUMSNBQMSUPCMI-STQMWFEESA-N 464.372 6.149 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(C4CC4)n3-c3ccccc3)c2C#N)C1 589939275 ALMQBLJOFKQXIO-OAHLLOKOSA-N 463.632 5.324 30 20 JKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1nc2cc(C(F)(F)F)ccc2s1 591020043 DAXOAWLBAHABJQ-NSHDSACASA-N 477.361 5.479 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](OCCC)CC2)c1 594567870 ARRYSWWTOWQSDP-OAQYLSRUSA-N 491.053 5.143 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1Cl 603758847 LAYZXDKYCBIDDD-VWLOTQADSA-N 487.987 5.252 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1sc(-c2ccccc2)cc1C#N 603968961 POIDNYJPLKNULM-UHFFFAOYSA-N 482.359 5.337 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)cc2Cl)cc1 604090359 WLFDKXZRMHRJBV-UHFFFAOYSA-N 469.932 6.201 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)c2)cc1 604135431 LZUJUCJTDGKRDJ-RUZDIDTESA-N 473.960 5.191 30 20 JKED COc1cc(OC)c(C2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc34)CC2)c(OC)c1 604303543 WAQCZNJYJCTSMP-UHFFFAOYSA-N 469.488 5.118 30 20 JKED Cc1ccccc1CN1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 609079369 ZOAWMJKFTMBAFM-UHFFFAOYSA-N 468.601 5.540 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 609085806 XRHAWVTVCWIVJW-OYHNWAKOSA-N 483.540 5.579 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)n1 609104013 BHQSMKBEJRKVHF-UHFFFAOYSA-N 454.505 5.390 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104190 TWFWTPVYUJDADQ-UHFFFAOYSA-N 488.950 6.044 30 20 JKED COC(=O)c1sc2ccccc2c1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 609119094 BONISKHFFOSONQ-UHFFFAOYSA-N 472.591 5.782 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 618070485 KYKOYBILZPZGOD-RBUKOAKNSA-N 472.614 5.651 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618304836 ZSWGKTNCDCUKGC-STQMWFEESA-N 481.437 5.516 30 20 JKED CS(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 642281580 LMJMPGXANCVNHR-HNNXBMFYSA-N 451.356 5.010 30 20 JKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2C(F)(F)F)cc1 642282390 NFISDWHRCINOEO-AWEZNQCLSA-N 459.378 5.434 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2cc(Br)ccc2OC)c1=S 725778273 QQHGZSWTYOGRNP-IBGZPJMESA-N 486.439 5.228 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cc3ccccc3o2)cn1 726111599 LGDVQESOFLNAIM-QHCPKHFHSA-N 487.585 5.118 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@@H](C)c1cccs1 726419962 KHMXRTOKMMTBNT-XDMSLFARSA-N 494.082 5.382 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1C 726638315 ASPRUUGOYKHPMG-UHFFFAOYSA-N 496.354 5.794 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(C)=O)C=C1)=C(/S)Nc1ccc(OC)c(Cl)c1 726963700 XKKLJRHLTZPKNL-UHFFFAOYSA-O 483.013 5.292 30 20 JKED CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 727058014 BUWOIZKVRFDSQY-UHFFFAOYSA-N 494.020 5.896 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CNC2(c3ccc(F)cc3)CCCC2)c1=S 727166362 JYLNKSDPVLUVJE-QFIPXVFZSA-N 466.582 5.268 30 20 JKED CN(CCOc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1)C1CCOCC1 728116610 NVXJJHINSICPQF-LJAQVGFWSA-N 498.627 5.153 30 20 JKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cc1 728163261 XQFAVWWZUUURFC-HSZRJFAPSA-N 490.357 5.147 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c1 728186319 XBELYXPPIKBDSR-UHFFFAOYSA-N 476.989 5.518 30 20 JKED C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(C(F)(F)F)cc1 728322637 LDIQVDFISJPPAI-CQSZACIVSA-N 459.424 5.346 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 728438378 DPXZFJLOABQRGR-TWGQIWQCSA-N 489.421 5.472 30 20 JKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C\c1csc(-c2cccs2)n1)C(=O)c1ccccc1 728440181 UAUMTZKTSRSYKK-UYRXBGFRSA-N 474.563 5.548 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 728775766 BOUZKZVLJVMPIF-HXUWFJFHSA-N 489.428 5.325 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(CCCCC#N)C1=O 728778972 WFJLBFUCAJRFBR-QFIPXVFZSA-N 499.036 5.620 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729070201 RDAMZXKBPNEXJO-LJQANCHMSA-N 473.743 6.187 30 20 JKED C=CCc1cc(CNCc2cc(Br)c(OC)c(Br)c2)cc(OC)c1OC 729683539 XZVNZNVIMBZZCL-UHFFFAOYSA-N 485.216 5.256 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 729891153 DFMFPCBBBUOCCG-ZWKOTPCHSA-N 469.994 6.172 30 20 JKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2c1 730457258 XORQYTLZJDCHGT-UHFFFAOYSA-N 461.550 5.777 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(C2CCC2)C1=O 730462886 QOESPFJYVLZMOS-QBLAXEKDSA-N 478.039 5.352 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1F 730534583 DMZIQDHYNDNJMK-FQEVSTJZSA-N 473.476 5.166 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccc(N2CCCCC2)cc1 730584711 ZARCBWYJIKBMHP-UHFFFAOYSA-N 462.406 5.325 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cocn3)C2=O)c1 730726298 DDZSWKBELIXHKQ-HSZRJFAPSA-N 476.602 5.575 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943622 HNDCYUCWDOXUIN-SBUREZEXSA-N 476.577 5.505 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)oc2ccc(Br)cc12 731063894 NAFMDBLOTIMOEV-ZDUSSCGKSA-N 487.375 5.551 30 20 JKED Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 731066882 HWDUOPMFYXGHHD-LJQANCHMSA-N 487.581 5.437 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1cccnc1 731310234 CZBMVYSLUBPCIJ-KSFYIVLOSA-N 495.004 5.471 30 20 JKED CCOc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)cc1 731310907 SIKMPUZSOFZKGJ-HSZRJFAPSA-N 493.560 5.091 30 20 JKED COc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)ccc1C 731311118 WUTTTYKMFFPWOX-QHCPKHFHSA-N 493.560 5.009 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cccs3)C2=O)cc1 743527000 XZKDHFVXVKVVSZ-QFIPXVFZSA-N 495.601 5.559 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2oc(CC(C)C)nc2C#N)c1 745613074 KTCMPFDKQOOGRG-UHFFFAOYSA-N 470.533 5.061 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)cc2)n(C[C@H]2CCCO2)c1=S 746055699 BNTHXOUMZXZXNJ-XMMPIXPASA-N 479.625 5.387 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O[C@H](C(C)=O)c2ccccc2)ccc1Cl 783671894 OAXAOHCTPZBTPT-XMMPIXPASA-N 483.973 5.208 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CSC3=NCCS3)c2C#N)C(C)(C)C1 796890670 OCGJOFFHYGMUKB-PLNGDYQASA-N 485.725 6.542 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1sc(COc2ccc(F)cc2)nc1C 818024252 KOLUJDIUMUUJIJ-UHFFFAOYSA-N 457.552 5.055 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 837286763 ZVAWLERAVWJNFB-KNQAVFIVSA-N 458.587 5.420 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 837932346 YLOJKAYAUBTGCJ-WAIKUNEKSA-N 494.567 5.644 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1cccc(F)c1 838486650 QKTKWIUAONBSRH-QHCPKHFHSA-N 495.551 5.176 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 909238494 BXPLDMGZNIREFX-UHFFFAOYSA-N 472.589 5.502 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 912533706 ASLYAEHIZPPRJJ-QGZVFWFLSA-N 454.617 5.177 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)Cc3ccco3)C2=O)c1 914690036 HPSVFYGGXDSVPO-IVZQSRNASA-N 499.539 5.158 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)Cc2ccco2)C1=O 914694833 WHLXLIFDNMDQAP-ZHRRBRCNSA-N 481.549 5.019 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915101707 KCNZLMNGUHCHCU-ICSRJNTNSA-N 484.046 5.500 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc(-c2ccc(Cl)cc2)cs1 915102397 YGBBMECAFHEMAO-KRWDZBQOSA-N 469.900 6.206 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2sc(Oc3ccccc3)nc2Cl)cc1 915959932 LBYKRSGWYADKLI-UHFFFAOYSA-N 461.931 5.069 30 20 JKED Cc1ncc(CO)c(/C=N/C[C@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)c1O 915979746 RULRFYMUAASCRU-IVCWAIIXSA-N 476.429 5.175 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(OC)c2)c1 916206558 SKLKXWRKMNSZPP-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccccn3)C2=O)cc1 916207942 PKWFBPNGIDDFEF-DEOSSOPVSA-N 488.613 5.258 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)cc1 916213843 GNWKNBVIBKJLCW-QGZVFWFLSA-N 466.390 5.372 30 20 JKED Cc1ccc(Cn2nc(C)c(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)c2C)cc1 916284079 KPBBFHDIEUBOAD-UHFFFAOYSA-N 467.598 5.486 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1ccccc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917029788 ADVZUWQCIWOZAD-TWSBKSAYSA-N 459.615 5.092 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)c1 917664984 XTOQQMLETQSFHI-HSZRJFAPSA-N 495.551 5.272 30 20 JKED CCOc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)c1 917673774 HREIDFBZUAMNFC-HSZRJFAPSA-N 477.561 5.385 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2C#N)cc1 917704706 XMXHASAMOAATRO-DEOSSOPVSA-N 484.581 5.036 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCCN1C(=O)c1ccco1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 918492427 RXWUXEXLNNAKHX-DNOGWHSCSA-N 463.603 5.075 30 20 JKED O=C(c1csc(COc2ccc(F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918671857 OKWKCEXBHZBMET-QWRGUYRKSA-N 456.383 5.064 30 20 JKED CC(=O)N(c1nc(COC(=O)COc2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1Cl 919415946 PHLCJFMMLZELMZ-UHFFFAOYSA-N 469.950 5.092 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1 919868118 MEJSZRRAODNOCE-UHFFFAOYSA-N 466.944 5.099 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@H]2CCc3cc(F)ccc32)C1=O)NC1CC1 920169296 DURJCFOCAIPZLE-PMACEKPBSA-N 491.510 5.132 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H]2CCc3c(Cl)cccc32)C1=O 920169902 IWWCGIHKOKYMAP-ROUUACIJSA-N 496.004 5.410 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 920456940 JZYVSXMZEQLYEF-JOCHJYFZSA-N 481.508 5.457 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc(-c2c(F)cccc2F)cs1 920805813 GCBKNGMSXRGXRK-ZDUSSCGKSA-N 488.928 5.760 30 20 JKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(SC(F)(F)F)cc3)cn2)cc1 920834409 ABEXGVJTIHCTNO-UHFFFAOYSA-N 451.451 5.158 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1OCC#N 920845334 RROSECHROLUMJG-UHFFFAOYSA-N 453.420 5.421 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 921253402 KNFBVKHNSOITQH-FQEVSTJZSA-N 477.989 5.256 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)C2)C1 1781148182 ZSNAJYVKARJUTL-LYZGTLIUSA-N 498.067 5.064 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4Cl)cc3)CCC2)c1 1785756334 QJDOVPAODIPLRA-QGZVFWFLSA-N 458.949 5.424 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c(C(F)(F)F)nc5ccc(F)cn45)CCC3)cc2)C1 1785810438 SOGFUAVRRJSXQY-UHFFFAOYSA-N 486.469 5.206 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)Cc4cc5cccnc5cc4F)CCC3)cc2)cc1 1785882981 QEAKQBLQRPMEOX-UHFFFAOYSA-N 492.554 5.165 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)CCc4cnc5[nH]ccc5c4)CCC3)cc2)c1 1786041640 RMTITKHIDAIQDM-UHFFFAOYSA-N 491.595 5.134 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)cn1 1786531437 HACZOOVRALICSW-UHFFFAOYSA-N 494.473 5.042 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)C4(c5ccc(C(F)(F)F)cc5)CC4)CCC3)cc2)CC1 1787880988 NSGRWWCZAFIKHT-UHFFFAOYSA-N 467.491 5.175 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5cc[nH]c5c4)cc3)CCC2)ccc1F 1788913713 JHMWDDVDKHPWPO-UHFFFAOYSA-N 466.516 5.169 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=C(C)CC3)cc2)CCC1 1789109286 DOGQHDDXTLINHW-REWPJTCUSA-N 481.637 5.336 30 20 JKED COc1ccc2c(c1)CC[C@H](CC(=O)Nc1ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc1)C2 1789166425 VDWWKMWZFPHNJL-FQEVSTJZSA-N 471.601 5.018 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccn5ccnc45)cc3)CCC2)c1 1789313427 PSVNWVKJVBMHPV-IBGZPJMESA-N 463.541 5.023 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5scnc5c4)cc3)CCC2)cc1 1789341207 SMILPMLNEIYUSN-UHFFFAOYSA-N 466.566 5.424 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)ccn4)cc3)CCC2)c(Cl)c1 1789721007 QSZQYQVHTFEBGH-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4csc(C(F)(F)F)n4)cc3)CCC2)c1 1789883095 ZOEVGFBRJWIAKZ-UHFFFAOYSA-N 488.466 5.234 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c(O)c1 1790243953 BSBMFRBUDLAZEG-SFHVURJKSA-N 469.541 5.089 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1790467955 CLETZTFLWXAAPE-REWPJTCUSA-N 481.637 5.336 30 20 JKED Cc1ccc2[nH]c(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)cc2c1 1790707457 LSYWJLNTZOBNHQ-UHFFFAOYSA-N 462.553 5.604 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nn(C)cc5c4)cc3)CCC2)c1 1790856784 NLDPBWNBLPUBMD-IBGZPJMESA-N 477.568 5.262 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(OC)cc3F)CCC2)cc1)C(F)(F)F 1791302694 HEWFVGNBYDFIHL-UHFFFAOYSA-N 464.459 5.020 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cn1 1792168305 LMUXZXDJVTWARP-UHFFFAOYSA-N 468.557 5.110 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4N4CCCCC4)CCC3)cc2)CCC1 1792233681 ZIXVOPAMWZBZSJ-UHFFFAOYSA-N 456.590 5.118 30 20 JKED Cc1c(Cl)cccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1792745061 JVHLGZPQPKLYBO-REPLKXPHSA-N 475.898 5.105 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)sc2Cl)c1 1798984659 BYQIRFWSFGOZDR-VDNDLQMASA-N 462.402 5.248 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc2ccc(Br)cc12 1800877834 UPHJIHFBHLHPKG-YRPNKDGESA-N 482.422 5.018 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1802502125 FTDLJVHYGLLHSB-QESAQDPVSA-N 479.587 5.449 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1803079357 MCFASCMKKXLSTG-SVEHJYQDSA-N 483.612 5.088 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1803082771 YKUTXKSWVQFYAK-LITSAYRRSA-N 494.639 5.540 30 20 JKED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)ccc1F 1803900101 YCZKDBITGRMKEH-BJWYYQGGSA-N 494.781 5.152 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCCN(C(=O)C(C)(C)CCC=C)C2)CC1 1804866909 WKTOHCUOHXOXLU-JOCHJYFZSA-N 489.701 5.070 30 20 JKED CC#C[C@@H](CC(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1)c1ccc(O)cc1 1808536503 LFYCOXPJEJNOQM-YIVQJXSLSA-N 499.655 5.127 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@@H]1c1cccnc1 1809200188 VKZLWSCNTGTIKO-UUOWRZLLSA-N 480.559 5.153 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@@H]1c1cccnc1 1809499270 CTLLKUSNHRTJCT-FENANZCXSA-N 498.627 5.059 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302801 GXWAHODRBAQWED-YADARESESA-N 489.522 5.512 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)C[C@@H](C)c3ccccc3)[C@H]2c2cccnc2)c1 1812735221 QKCKOSATIYUZCF-OBNSDJKBSA-N 480.612 5.222 30 20 JKED Cc1cc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c(C)c1 1813785723 DARXQPSOYDKHNQ-NVQXNPDNSA-N 487.003 5.165 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cn1 1814351143 RTHUCRGMPKXKGO-NRFANRHFSA-N 490.995 5.247 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1815119269 TXOZSCMFHVOENO-XXBNENTESA-N 490.007 5.070 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)cc(C(F)(F)F)c1 1815984218 SXYRHKJGPWASOX-DPZZJQGRSA-N 499.518 5.381 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2OC(F)(F)F)[nH]n1 1817097582 NAVHOOYECRXUOF-AWEZNQCLSA-N 496.383 5.096 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817744381 YGYLPJQMWDFNFM-NRFANRHFSA-N 479.531 5.297 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(CC)nc3ccc(Cl)cn23)n[nH]1 1817958009 NPULMPYQMBJMGH-OAQYLSRUSA-N 495.027 5.348 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Br)cs3)n[nH]2)c1 1818152031 JPHAFLNNAXKDQN-SFHVURJKSA-N 498.406 5.034 30 20 JKED N#CCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5sccc5s4)sc3C2)cc1 1819005880 CIYMUHUTKIVREE-HNNXBMFYSA-N 478.624 5.025 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)cc2F)[nH]n1 1819300388 AADXZLHDXDBIFU-OXJNMPFZSA-N 489.389 5.386 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1819307524 IEIIGFXGOSFEQK-XXBNENTESA-N 498.587 5.620 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)[nH]n1 1819308154 XACRXWLPSRECEC-RCZVLFRGSA-N 469.589 5.546 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1819308922 IBHCSIXFIYTYIT-JPYJTQIMSA-N 477.996 5.686 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2 1819597479 AKUSQGAWSSKQKM-KBPBESRZSA-N 487.050 5.400 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)n[nH]2)CCC1 1820080166 RPYSHAXTPOJFAP-DEOSSOPVSA-N 492.583 5.329 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820964593 PUUKGPLREZDVLB-HXUWFJFHSA-N 492.686 5.003 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)[nH]n2)c(Cl)c1 1821277182 LWEKVKRCATZCPM-HXUWFJFHSA-N 499.905 5.156 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c1 1821307352 PQZNTWDCTHEHRD-BVZFJXPGSA-N 467.573 5.534 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1821924438 BUCJAIHNSBHMDD-FZKQIMNGSA-N 479.806 5.344 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1)C(F)(F)F 1821992957 NWDCKMJLTYDVCK-FQEVSTJZSA-N 484.478 5.626 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1822580075 LWOAIRDJAGWAML-OAQYLSRUSA-N 451.958 5.044 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)c3cccs3)n[nH]2)c1 1822709238 UQRLMCQRDCJINH-LZJOCLMNSA-N 461.591 5.208 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3c1oc1ccccc13)CC2 1823089069 IZCDBQLXGWMTDU-HOTGVXAUSA-N 490.585 5.069 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1)c1ccccc1 1823210905 IDWNOSFPIDDHOX-VPHKFGTKSA-N 469.589 5.536 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccccc4n3C)[nH]n2)c1 1823215613 YGMNODNEDRGQLR-HOYKHHGWSA-N 480.572 5.148 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)sc3C2)C1 1823375281 NJIDDTWOOFRFFN-ZDUSSCGKSA-N 469.916 5.007 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)cc1Cl 1823887877 QIVQGOGLFAMMLH-OAQYLSRUSA-N 494.463 5.564 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)CC1 1824155485 OSIMLHJGUNZYDT-UIOOFZCWSA-N 479.665 5.184 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824448728 ACMGPVOLTVBMLW-XMMPIXPASA-N 476.583 5.451 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCCC3)CC2)cc(C(F)(F)F)c1 1826269483 LBVVOUCFZGMJNH-DEOSSOPVSA-N 489.582 5.781 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827333599 UVBMUHAQXYKAIM-BKMJKUGQSA-N 490.648 5.091 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1)C(F)(F)F 1827875351 FAWOQSMTOWOWKE-JOCHJYFZSA-N 471.523 5.100 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn3cc(Cl)ccc3n2)CC1 1828082878 RENUCFJZRCJNOI-QFIPXVFZSA-N 471.045 5.213 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1828216642 OSJVNCXZYDIUKX-AREMUKBSSA-N 499.611 5.185 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1828352549 ROHGNOOEXISFQB-GTNKKZTPSA-N 476.661 5.255 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC1 1828353615 PESIOMZOSDDSSG-QPPBQGQZSA-N 487.566 5.557 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 1828822821 MEPWICYWOMHQCK-SFTDATJTSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(Br)cc2C)CC1 1828823236 QKHMOBCAUKYSLG-YADHBBJMSA-N 488.470 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)CC1 1828826335 BSSORKWXNQXLJN-GLGAHIBSSA-N 464.675 5.262 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 1828827898 YXJNEFNJGCPCPD-LOSJGSFVSA-N 461.606 5.343 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828904534 YMIQUBPHUBBTBP-JOCHJYFZSA-N 488.770 5.431 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1829634581 WCRULIGRHPATPZ-SFTDATJTSA-N 493.570 5.111 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1830417279 ZGHMRLYWHOAPNO-UWJYYQICSA-N 490.069 5.589 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)C1 1830529965 YALXVECVYCWHTH-OAQYLSRUSA-N 452.492 5.044 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830628233 RBKXZUXJCOVBIL-ZBLYBZFDSA-N 473.617 5.178 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1830633016 DKQUZXVGFLUAKI-XWGVYQGASA-N 489.582 5.355 30 20 JKED CC(C)Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3C#N)CC2)cc1 1830694630 WSGITJXOMMHGLJ-MHZLTWQESA-N 487.644 5.069 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c(Cl)c1 1830722441 ITSHWGWOBCFZPO-XMMPIXPASA-N 493.032 5.368 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sc(C)cc4[nH]3)CC2)c1 1830770203 PGGVFIZHEKWLHP-DEOSSOPVSA-N 474.630 5.265 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830993712 MQVQXIFUCDHWPQ-QHCPKHFHSA-N 472.029 5.037 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1831370501 SRIQRIRVEARDAM-HYBUGGRVSA-N 461.046 5.331 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831376046 IMTDAQZLHQYVHX-JTSKRJEESA-N 468.535 5.219 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cnc4[nH]ccc4c3)CC2)c1 1831731662 KMAXWCLKFLISRM-KDYSTLNUSA-N 497.643 5.056 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1831736886 XBWJCBPUKKQAAY-BEXSJWOMSA-N 468.613 5.236 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831745244 QJBJMVIXGCLAHZ-WIOPSUGQSA-N 487.710 5.039 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1831841009 ULDXQPCVMZDDLI-RDTXWAMCSA-N 495.508 5.215 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831845015 NNWWZJOMJRPDAS-JTSKRJEESA-N 450.604 5.138 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1831860648 VQAIHNSENSEPLN-JOCHJYFZSA-N 466.544 5.217 30 20 JKED COc1cc(F)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832533831 DEKZCFHSVRMLPN-UQBPGWFLSA-N 477.580 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1832679445 ROQZBRJQFPVWKF-LOSJGSFVSA-N 460.622 5.078 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)CC1 1833079387 WAXZNUCPTUKNNC-UHFFFAOYSA-N 497.083 5.066 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 1836697021 LNUIUKJQVPUNAB-UHFFFAOYSA-N 485.477 5.436 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCC(OC3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)CC2)cc1 1838390685 YDCPTNODNUUUAC-XMMPIXPASA-N 496.768 5.148 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)C1 1844753108 FSCKPCHGLLHDTL-UHFFFAOYSA-N 454.998 5.311 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 1845348702 BBXQVMKQNJIQMX-UHFFFAOYSA-N 485.022 5.227 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2ccc(C)cc2)cc1 10173275 GLXDMEAAFCTIJY-UHFFFAOYSA-O 492.665 5.969 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2CC)cc1 10173470 FQPFUTWHJKZBNP-UHFFFAOYSA-O 458.434 6.457 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(F)c(Cl)c1 10757882 AMRWQMPCKMHRCX-UHFFFAOYSA-O 454.399 6.095 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc3c(c2)CCCC3)cc1F 14872427 IOGGTSNWSDVWAC-UHFFFAOYSA-O 464.542 5.260 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(Br)cc1 21128535 KUMSCARZXNZILG-CQSZACIVSA-N 491.386 5.064 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)NC2(C#N)CCCCC2)n1-c1ccc(Cl)cc1 22137352 AOVZIDYMRBTAFM-UHFFFAOYSA-N 482.009 5.031 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 22137479 LEZNHIVKIUUZSX-DWXRJYCRSA-N 479.650 5.419 30 20 JKED CCn1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1cc(-c2ccccc2)nc2ccccc12 22565908 VTOKVOZHVCMOSR-GDJIYFAZSA-N 498.656 5.715 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1nc(-c2ccccc2)cs1 26012916 HSKVHNNZBFESKW-IBGZPJMESA-N 489.626 6.135 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCC(=O)N[C@H](C)c2ccc(C#N)cc2)n1-c1ccccc1 26113679 UCGBUIAXSUFJOR-OAQYLSRUSA-N 497.624 5.304 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 29054394 LWDLOENCNXWOPC-OAQYLSRUSA-N 487.362 5.129 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 32950687 HRDDHEMGKSJYSA-UHFFFAOYSA-N 478.512 5.205 30 20 JKED CCN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 105907345 ITDTUGCXZOUVIF-LJQANCHMSA-N 471.586 5.160 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 195551505 MDXJVLPCDHVJIS-UHFFFAOYSA-N 453.995 5.860 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c12 195662730 VQEXBERGROPBFI-GOSISDBHSA-N 456.575 5.381 30 20 JKED O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 195695131 DVROICOUNRTABU-UHFFFAOYSA-N 497.374 5.165 30 20 JKED CCCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1cccc(C)c1 248112577 SRUBUUBZCXAOKM-UHFFFAOYSA-N 465.648 5.596 30 20 JKED C=CCn1c(SCc2nc(-c3cccs3)oc2C)nnc1[C@@H]1COc2ccccc2O1 251997485 LFPNYWVSALDXRI-SFHVURJKSA-N 452.561 5.294 30 20 JKED CCN(CCc1cccs1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 486570734 AQARFDFKKHHXBI-NRFANRHFSA-N 451.979 5.087 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)C(C)C)c1 488638247 BZKXYDZVSFNHDT-UHFFFAOYSA-N 484.021 5.167 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 497818565 VWKWHAXLXYVTIS-SFHVURJKSA-N 492.391 5.010 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 500062292 AKCHMURDHUGMMQ-UHFFFAOYSA-N 454.299 5.332 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)nnc1C1CC1 503748806 OOZZCNXRIBJTAM-UHFFFAOYSA-N 475.643 5.585 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 508988066 QNFWZWAWTFVQQQ-UHFFFAOYSA-N 497.349 5.810 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 508989858 BJHWVLOEFHGEQJ-INIZCTEOSA-N 481.339 5.352 30 20 JKED COc1cc2c(cc1OC)CN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 510004842 HZIZHUAAORZWFY-JOCHJYFZSA-N 461.949 5.603 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(=O)N(C)C[C@@H](C)C#N)c1 510050735 SLXBSURTKHXVGK-INIZCTEOSA-N 495.070 5.145 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCc3c(Cl)cccc32)nnc1-c1ccc(Cl)cc1 511303980 XQYPSQNRLJURIL-LJQANCHMSA-N 459.402 5.334 30 20 JKED CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)[C@H](C)c1ccc(C#N)cc1 512284081 WTXJKRHUDHYORG-OAHLLOKOSA-N 492.362 5.889 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 514197004 GXQUOPPPMXLBLX-MHZLTWQESA-N 450.517 5.594 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)o2)cc1 514574880 GACLMVFRGWGOCA-NRFANRHFSA-N 490.972 5.785 30 20 JKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCC(=O)Nc2ccccc2C#N)cc1 514891982 CUPSPXFPVAUITE-UHFFFAOYSA-N 483.597 5.249 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 515539291 SIMXVIAXCMLCTK-INIZCTEOSA-N 482.970 6.112 30 20 JKED CCCOCc1ccccc1CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516432198 WUNUXYYUXAJIHS-DEOSSOPVSA-N 475.976 5.177 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 518125600 NYWGEWNXNKRWGB-UHFFFAOYSA-N 477.615 5.364 30 20 JKED C=CCN(C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 519214405 YPRXTVFMMXMKJS-UHFFFAOYSA-N 480.933 5.788 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 519424900 IYAYBMYIFHOKFH-CYBMUJFWSA-N 462.427 6.550 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc12 519427794 UZFMJMYORJCTHJ-HNNXBMFYSA-N 464.591 6.098 30 20 JKED CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1 520187767 DKCRDBPGKHYMQP-GOSISDBHSA-N 495.626 5.533 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N 520843100 LAKRXLBTNNYUKK-AWEZNQCLSA-N 468.579 5.079 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1C 521325981 FUKQIRZSEHAKDW-UHFFFAOYSA-N 469.520 5.337 30 20 JKED Cc1ccc(I)c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 521500674 QJCKAVOGGJTUJU-QFIPXVFZSA-N 482.321 5.173 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2ccccc2Oc2ccccc2)CC1 521718842 UOTXCBHXHBHKRZ-UHFFFAOYSA-N 468.513 5.131 30 20 JKED CCOc1cc(Br)c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1OCC 521839811 HYJWMWVNTCMJHD-UHFFFAOYSA-N 474.399 5.808 30 20 JKED COc1cc(C(=O)N(CCC#N)Cc2ccco2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 522863789 KBIYGQRVJDRDSB-UHFFFAOYSA-N 455.854 5.198 30 20 JKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CC3)n(CCC#N)n1 523661196 GTQNVRQNJLACGX-MNDPQUGUSA-N 467.960 6.046 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 553007621 HAUMCPRCZFHQRA-UHFFFAOYSA-N 456.873 5.317 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 557541253 KYHCCCHTMUFLDT-UWJYYQICSA-N 467.660 5.390 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 603590538 IXMZFAKVJYUNQB-UHFFFAOYSA-N 482.462 5.197 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cn2)c1 603622937 NWRXBJKXHNZTFC-UHFFFAOYSA-N 467.382 5.341 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H]1c1ccc(OC)cc1 603623328 HPBGFYPQXGBGFK-NAKRPHOHSA-N 498.583 5.473 30 20 JKED COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cn(CCC#N)nc2-c2ccccc2)c(OC)c1 603804069 FORLQJMMOCNQHI-HHHXNRCGSA-N 479.540 5.252 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 603959698 RYSSRSBOIQMDDT-UHFFFAOYSA-N 499.548 5.978 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 603976993 POGWRDATILABSV-IYBDPMFKSA-N 464.635 5.036 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2C#N)C1 604276963 ZKIXZAMINXOVFL-UPJWGTAASA-N 467.479 5.136 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1Cl 604488459 BVUWKUXCGVVPAB-QFIPXVFZSA-N 491.378 5.428 30 20 JKED CC(C)(C)[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 608920344 SRJQDOLDMXNUPB-JOCHJYFZSA-N 486.538 5.725 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 609020228 NVNJWKYOHWOAFQ-UHFFFAOYSA-N 456.477 5.841 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609434617 CUNJJKWFJQKIRY-FOIQADDNSA-N 466.607 6.543 30 20 JKED CC(C)OCc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)oc2ccccc12 620304568 NXSMNYCZHFGGJV-HNNXBMFYSA-N 452.482 6.250 30 20 JKED Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622379465 VPBAKLUHBXHCBF-UHFFFAOYSA-N 460.296 5.626 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OC)C(C)C)nnc1-c1ccc(Cl)cc1 639427489 NIRWYBHPTRUEGG-FQEVSTJZSA-N 456.999 5.549 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1nc(-c2ccccc2)cs1 641902197 GZPVPJOSAIHYHL-IBGZPJMESA-N 481.643 5.206 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(C)C)c1 726392921 LGSOFWPTHONSLD-MHECFPHRSA-N 495.645 5.398 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(F)(F)F)C2=O)cc1 726405694 GDZQIHNTTZUBMK-KRWDZBQOSA-N 480.899 5.043 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1F 726410745 IMKJYTKGPRJNOS-FQEVSTJZSA-N 469.563 5.056 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N\[C@H](C)c2cccs2)cc1 726420968 NGMCFKDTUJAVEX-NXBLHBGRSA-N 497.617 5.486 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC(F)(F)F)c1cccs1 726421650 RIEATGQUGJMTQN-NZLXBOQJSA-N 491.560 5.853 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@@H](C)c2cccs2)n1 726422031 RODBJWRXRAOIMI-UIRXZSOGSA-N 464.616 5.042 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OC)cc2OC)cc1 726570885 MYKGQWKQJZYIAM-UHFFFAOYSA-O 495.024 5.792 30 20 JKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)C1CCCC1 727233374 OMSMEANDLRUNLG-MLGOLLRUSA-N 450.391 5.378 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1 728016760 VUQUPJYGXCOJPX-UHFFFAOYSA-N 491.352 5.252 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)c(F)c1 728119603 QNQTWBBKZAUBPD-UHFFFAOYSA-N 486.547 5.142 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 728422377 APRKEPGIQGSKRP-CYFREDJKSA-N 483.597 5.292 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 728423780 QEESRLKYRGXTLO-NTKDMRAZSA-N 483.597 5.292 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 728766772 KCOBDFJIDKVAER-IBGZPJMESA-N 450.281 5.619 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(CCCCC#N)C2=O)cc1Cl 728779777 LAYQQFRQZQSNIV-FQEVSTJZSA-N 490.963 5.581 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CCC2)C1=O 730460275 WMVBOLSMQXUYOV-LJQANCHMSA-N 478.401 5.515 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC)c(F)c3)N(C3CCC3)C2=O)cc1 730461317 BKVBRKFQNFNIKP-JOCHJYFZSA-N 485.581 5.136 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2C2CCC2)cn1 730462634 OZHLGOPYBPMWPC-KRWDZBQOSA-N 499.946 5.088 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1ccco1 730522926 WCUPUDWESCMWIE-QHCPKHFHSA-N 475.570 5.205 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)cc1Cl 730722679 STEPVMBIINCING-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731307397 RMHHSBIFSOLEIA-BJKOFHAPSA-N 471.582 5.348 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(F)cc2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 731321979 QDYUOQKPVYRHRZ-YRNVUSSQSA-N 487.449 6.075 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCc2nccs2)cc1 747598293 ARDSWGYIGDYHAJ-FQEVSTJZSA-N 499.061 5.616 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cscn3)C2=O)cc1 747601430 GYOZRLWAPDICNY-OAQYLSRUSA-N 492.626 5.123 30 20 JKED CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 748160928 LDZJWVPBPTUSMV-UHFFFAOYSA-N 496.610 5.230 30 20 JKED CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c1 758021470 UDEHYJQZSOCAGO-UHFFFAOYSA-N 485.968 5.335 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2csc(-c3ccc(F)cc3)n2)c1 767228496 OBCBRGLFWYXBNB-UHFFFAOYSA-N 467.595 5.722 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21 792036510 UFFNQTMKXILIGR-UHFFFAOYSA-N 491.686 5.414 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(C3CCN(C4CC4)CC3)C2=O)cc1 837300380 VFOXIJNDYIMUIU-RUZDIDTESA-N 490.673 5.199 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccc2F)c1 837348575 POZYASCGYXYUFZ-HSZRJFAPSA-N 495.551 5.176 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1ccccn1 838484707 CUSNDGFTWFVZSE-JOCHJYFZSA-N 495.004 5.213 30 20 JKED C[C@@H](OC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 853830587 VDAQMOHXEABTEX-OAHLLOKOSA-N 463.490 5.188 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)c2C#N)C1 887594916 DZHURPXRGHSBKF-INIZCTEOSA-N 467.616 5.218 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914538365 NVQMQQPSUVBFEO-IFXJQAMLSA-N 493.601 5.216 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCCc2nnc(-c3ccccc3)o2)n(C2CCCCC2)c1C 915507293 QBTRQVCWNXBONG-UHFFFAOYSA-N 489.576 5.036 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 915863264 WWHOYYOBEGLGGK-QPPBQGQZSA-N 477.486 5.348 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 916039829 SBMBIUPMDMSDAK-UHFFFAOYSA-N 469.946 5.112 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)c1ccccc1 916622803 LZOUOFAGMUDBBR-SFHVURJKSA-N 462.937 5.695 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916888612 YGZRXGVNMVHYKN-FQEVSTJZSA-N 465.481 5.215 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc12 916905309 MPXGDSKWDHHHCS-QFIPXVFZSA-N 492.560 6.149 30 20 JKED N#C[C@@H](C(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc2ccccc12 916917427 GVHXXVHWIUAWJN-VWLOTQADSA-N 450.494 5.145 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c12 916918649 OMBRPZZWIYVHAI-OAQYLSRUSA-N 465.557 5.487 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916924661 ALMGVPVUZLILPO-LJQANCHMSA-N 487.606 5.948 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1 916974148 FDYISFDYCVDALR-PPCFYUTRSA-N 475.658 5.652 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cs1 917542678 LQUDRNHDZJTKOP-UHFFFAOYSA-N 486.985 5.386 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)cc(C)c1 917674837 ULQJWJVLFBSKNZ-HXUWFJFHSA-N 493.551 5.319 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)cc1OC 917676804 KEVZNAUJTLNXLF-SQFISAMPSA-N 458.562 5.205 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2F)s1 917696644 NUKGVPXWLUSTCK-HXUWFJFHSA-N 489.544 5.634 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2C)cc1 918112890 JLUUOBVPPQHVBU-UHFFFAOYSA-N 452.514 5.722 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)s2)cc1OC 920104450 SURVBFNBWXLEHE-QGZVFWFLSA-N 459.527 5.131 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143753 ZQPCNVSOZIBGSE-UGSOOPFHSA-N 468.401 5.801 30 20 JKED COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCc1c(C)noc1C 920268665 OQUKEWWJBFPCEH-XXIDSNJLSA-N 486.553 5.287 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(F)c(F)c1 920356529 PWCSZHYWKNLPOI-JOCHJYFZSA-N 481.524 5.134 30 20 JKED C=CCNc1nc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)cs1 920508548 GFAGQLKFUVUCQF-UHFFFAOYSA-N 482.509 5.258 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)cc1F 921253659 LLEAHZZOACATNM-HNAYVOBHSA-N 497.514 5.062 30 20 JKED Cc1c(C#N)c(NC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)n(Cc2ccccc2)c1C 935502595 KAPLUVZPGZVROA-UHFFFAOYSA-N 463.585 5.234 30 20 JKED CSc1nc(O)c(C(=O)Nc2cccc(Oc3ccc(Br)cc3)c2)cc1C#N 1461331584 IYFOWCBLAHEIJS-UHFFFAOYSA-N 456.321 5.188 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4cnccc4C(F)(F)F)CCC3)cc2)C1 1785806898 OTMOKMMBKKZHHZ-UHFFFAOYSA-N 457.496 5.133 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(OC)cc(C(F)(F)F)c4)CCC3)cc2)C1 1785810369 PGKDIEADVYYBBF-UHFFFAOYSA-N 458.480 5.428 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4nc3C)CCC2)cc1 1785841980 JOTYMHUVTNVTEL-UHFFFAOYSA-N 456.590 5.678 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4scnc4C4CC4)CCC3)cc2)c1 1786041146 LMWGOQWJLUSFEW-UHFFFAOYSA-N 470.598 5.273 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)ccn1 1787035679 KCCNAKULPOESNO-UHFFFAOYSA-N 492.583 5.189 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(Cl)c4)cc3)CCC2)c1 1787384951 OBPRZZXJZCJRTI-QGZVFWFLSA-N 458.949 5.424 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1789166250 RMNNUUWAUZDGFL-HXUWFJFHSA-N 495.664 5.370 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Br)cc4s3)cc2)CCC1 1789288368 FSLQNLGDVZHVGX-UHFFFAOYSA-N 482.403 5.715 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)Cc3c(C)noc3C)CCC2)cc1)c1ccccc1 1789602440 SIAHXZGFRWEWTB-VWLOTQADSA-N 469.585 5.165 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccc(F)cc4)CCC3)cc2)c(C#N)c1 1790472150 RCVFXIXAPCWVOG-KAYWLYCHSA-N 497.570 5.186 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCC(F)(F)F)c(F)c3)cc2)CCC1 1790586823 BAGCIWDXQLWHRP-MRXNPFEDSA-N 494.485 5.106 30 20 JKED COc1cscc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790766893 GBHWLXMZSHYTNI-UHFFFAOYSA-N 465.962 5.343 30 20 JKED Cc1nc2sccn2c1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767759 LCBVCXWYKULSMM-UHFFFAOYSA-N 489.988 5.291 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791444127 MJYTUTNLXIRYEM-KCWXNJEJSA-N 495.664 5.512 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3(C)CCCCC3)CCC2)cc1 1792331285 NGHBTMVMHJALCO-QFIPXVFZSA-N 481.637 5.008 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792387755 NELGQQAPHKZCTD-NDEPHWFRSA-N 495.664 5.351 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Cl)cccc1Cl)C2 1798420388 BZKWNHUTUILXBR-BCDXTJNWSA-N 465.497 5.296 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)cc1F)C2)c1ccccc1 1798556951 PDCOWZMQLDOTBR-AANQFLQQSA-N 476.592 5.062 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(CCCCC)s1)c1ccc(O)cc1 1801302020 ZOBCOKJFHIFVFZ-GPJHCHHRSA-N 493.673 5.030 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(Cl)cc2Cl)c(Cl)c1 1801554229 LBPVTANUWHQEFG-REPLKXPHSA-N 490.818 5.403 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1802381069 GLBZBFCQYAWZCJ-LOAGWBBBSA-N 494.639 5.032 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1802499382 HCKAFIKDMOHMRK-FBLLAGFSSA-N 480.052 5.463 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)[C@@H]1c1cccnc1 1802499843 JSSMTSXRIVQTBN-MUEFHYHUSA-N 475.633 5.192 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2ccc(F)cc2F)[C@@H]1c1cccnc1 1803484719 ATQLGXDQBQVQGG-DVECYGJZSA-N 487.616 5.150 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c[nH]1 1804865929 CVDRXQUESFJYAW-BKMJKUGQSA-N 492.740 5.078 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)CC2)C1 1805459552 NSVQJHJNQMWSPV-ZEQRLZLVSA-N 499.493 5.552 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1)c1ccccc1 1805623303 KAVONHKAUGHANQ-WNCULLNHSA-N 471.645 5.598 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4cc(Br)ccc4c3)CC2)C1 1806026647 BGFFZFRDPWCYIG-IBGZPJMESA-N 499.449 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1807572754 UOVLXDSOMXOKCN-HOFKKMOUSA-N 472.633 5.194 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1810174031 LBXWTVYPODVRCI-HOKHCIIBSA-N 482.024 5.222 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(F)cc2)[C@H]1c1cccnc1 1810501775 CUCALFLRLONNBL-PBXXJUDPSA-N 465.613 5.098 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c1Cl 1811111741 CIXWKKFIZFBTEX-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1812126767 JDGUIEFNECXPOR-GBXCKJPGSA-N 462.619 5.021 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1)C(F)(F)F 1812681408 WCRPXHWWBGNKQS-FOIQADDNSA-N 493.938 5.388 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1812935495 PLFHLFBNFCAXJH-AMGIVPHBSA-N 490.623 5.333 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813955958 ZLFXSTNAAAETLT-NJTBCWBZSA-N 453.586 5.280 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1813957659 MQZJOSPKMNREGP-LGVFNWMJSA-N 485.550 5.497 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)[nH]n2)C1 1814394201 INZDMAASXXMKMR-DEOSSOPVSA-N 480.572 5.225 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(OC)c2Cl)n[nH]1 1814610072 GVMMQNDZURQHAW-LJQANCHMSA-N 487.000 5.155 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)[nH]n1 1814828513 CWEIAXLDBRWABV-XMMPIXPASA-N 473.577 5.046 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1815248081 ZNAWQDNQTVQIAJ-YJBOKZPZSA-N 499.862 5.086 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)ccc2c1 1818529190 XWVSIVVMJAUTHK-VDZCTEQFSA-N 499.596 5.073 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1819309033 KQZAZRUYNPQHHE-HRAATJIYSA-N 465.985 5.619 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)CC2 1819595797 BBDMXWRYXHAFTB-KGLIPLIRSA-N 467.513 5.058 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)nc2Cl)n[nH]1 1819679088 GBQDGTZROJHLBJ-RHSMWYFYSA-N 462.381 5.186 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1)c1ccc(Cl)cc1 1820481772 OGPGGFGRZHXGQT-OPAMFIHVSA-N 461.953 5.044 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)cc1 1821179297 ACVDLPRFCVMDRP-FQEVSTJZSA-N 482.371 5.402 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821522975 OEONELMXZWXJMR-HTAPYJJXSA-N 487.560 5.048 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccc(Br)cc2)[nH]n1 1822399613 JUQJJOAKIGPUEM-SFHVURJKSA-N 498.381 5.018 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)cc2n1 1823211455 GBFWGCSTTSQAOL-KSFYIVLOSA-N 482.544 5.106 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)[nH]n2)cc1C#N 1823290802 DZTIHXIJZRBVJJ-NRFANRHFSA-N 499.562 5.200 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)cc1C#N 1823291595 ZCJFBAUAORHHBX-OUZREKFBSA-N 489.601 5.149 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2C(F)(F)F)n[nH]1 1823303453 UVTJQLBKBZVDDL-ACJLOTCBSA-N 452.452 5.086 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc4occ(Cl)c4c2)CC3)c1 1823670706 RWHCSVOPVKYRIC-CQSZACIVSA-N 494.935 5.093 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(OC)c2)CC1 1824144819 IGAPHYZXXGBQCN-BOMYWPOKSA-N 450.623 5.097 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1824957702 SSUYRQDCBXBFBS-VWLOTQADSA-N 477.674 5.210 30 20 JKED COc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)cc2ccccc2c1Cl 1826683141 BYQUWDRZEASAQI-JOCHJYFZSA-N 480.008 5.039 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827874918 YYNBFTPGGJFRCL-VPUSJEBWSA-N 471.645 5.750 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828293867 YUMQQBVFPAORKA-YADHBBJMSA-N 462.059 5.009 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1)C(F)(F)F 1828879184 CISFLKXSQHZLPF-CZIOWHBQSA-N 466.569 5.339 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cscc2OC)CC1)c1ccccc1 1829033267 TYFFTKWWKDFKOC-UKILVPOCSA-N 478.658 5.187 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1829068425 VMLMYUKFRNKXKR-MHZLTWQESA-N 496.692 5.660 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCn2c(O)nc3ccccc32)CC1 1829068675 KDSKPZYALSOOQH-XMMPIXPASA-N 494.680 5.134 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829350744 UHLQUDJWTCXVLS-OAQYLSRUSA-N 465.560 5.326 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)c1 1829775783 SGAZXLWBHYCRQG-NRFANRHFSA-N 492.929 5.106 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c1Cl 1829895309 QCLGBKINJVPSAO-JOCHJYFZSA-N 470.400 5.412 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)Cc4ccc(F)c(C#N)c4)CC3)ccc2n1 1830360600 LHWWUKYRXQWZNR-MUUNZHRXSA-N 498.602 5.030 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CC2)CC1 1830448826 CSKQRAFYLSLPBD-FTJBHMTQSA-N 491.582 5.422 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1F 1830570719 YAAAVHXFWBKHLL-RXFWQSSRSA-N 461.581 5.308 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2Br)CC1 1830686020 GTMXYOGLEOEBLH-DNVCBOLYSA-N 483.397 5.173 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1830718665 KDIHBAACYQBQLM-FQEVSTJZSA-N 481.618 5.521 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccsc3)CC2)cc(C(F)(F)F)c1 1830756798 XDTDCKPIXBOQNS-JOCHJYFZSA-N 489.563 5.115 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1830994448 ARDSYLFXDCPNPT-DEOSSOPVSA-N 492.982 5.379 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1831262672 ZYFFSIGNCIETCU-ZBLYBZFDSA-N 475.608 5.004 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1831449235 XFIVSVIDYALMDW-OGECGYFKSA-N 495.408 5.293 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)c1 1831727476 GOGIKDRNBSIWOD-MHZLTWQESA-N 486.591 5.045 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832031278 HIZPDIMEPZBDND-YPAWHYETSA-N 454.577 5.168 30 20 JKED COc1cc(F)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832533569 RSHVALZFOCQDJM-XMMPIXPASA-N 486.704 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 1832633141 CMVBLQAXDFYMCT-CLOONOSVSA-N 464.009 5.514 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1832800763 XVMRPAPZHDOCNO-YMPZKCBVSA-N 475.555 5.160 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CCC(OC3CCN(C(=O)C4(C#N)CCC4)CC3)CC2)cc1 1836664119 WDUACSLTSJPLSM-VAWYXSNFSA-N 491.676 5.125 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 1845345865 MRAIYFRRBMSYCK-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)C1 1845722648 BEGPSLHRINHPJV-UHFFFAOYSA-N 489.641 5.213 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2)cc1Cl 9023581 HOSNQBSTSLQQPI-KRWDZBQOSA-N 496.036 5.420 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1ccc(Br)cc1 11125330 LGEBODUPMJPCFE-UHFFFAOYSA-O 478.391 5.646 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)CCC2 11249805 HVLPNDGAXZZKDT-UHFFFAOYSA-O 499.606 6.383 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(F)cc1 16835665 QNYDFIPIAILQMM-ZDUSSCGKSA-N 450.461 5.408 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nc2sc3c(c2c1=O)CCCC3 17652927 FYPQDLYCFGXZAO-OAHLLOKOSA-N 464.616 5.735 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccccc2CC)cc1 22727561 KTVQSOWGORCSKR-UHFFFAOYSA-O 453.609 5.134 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 23501030 YYNVSKXRWJFPFX-CQSZACIVSA-N 491.063 5.753 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2CC)nnc1-c1ccc(Br)cc1 24015670 MVXJSMDCQWWPMX-HNNXBMFYSA-N 471.424 5.575 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 24858835 LYHHQZILTSUAQA-UHFFFAOYSA-N 498.988 5.135 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 32977205 ADBSZCLBRHLSFX-UHFFFAOYSA-N 468.513 5.240 30 20 JKED COC1CCN(c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2C(F)(F)F)CC1 97542922 SGDKWDKSIZVYQF-UHFFFAOYSA-N 499.489 5.617 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3oc4ccccc4c3CSc3ncccn3)c2)c1 109386360 JGVLQFORPBJXAX-UHFFFAOYSA-N 492.560 6.218 30 20 JKED Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 303180060 ZZNYQUNLCWOACE-UHFFFAOYSA-N 457.599 5.247 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@H](c3ccccc3F)C2)nnc1-c1ccc(Cl)cc1Cl 410310243 WCDKUPGTPGVNPC-HNNXBMFYSA-N 491.419 5.685 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(SC)cc1 480384628 ZJVOAEDALMZGJY-HSZRJFAPSA-N 461.543 5.498 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(OC)c1 481652614 DDOFUXGERPHTTN-XMMPIXPASA-N 475.520 5.663 30 20 JKED COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 483432940 ALLBUFQJRSAPHG-UHFFFAOYSA-N 493.519 5.629 30 20 JKED COc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Br 490243894 LXJPGQKACLBMJG-QMHKHESXSA-N 464.363 5.479 30 20 JKED COc1ccc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1OCCCC#N 494063464 CKSBWEQUSOOHLB-HMMYKYKNSA-N 469.566 5.760 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 501156813 AHZXVUSVBNQQSD-UHFFFAOYSA-N 484.556 5.491 30 20 JKED CCCOc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OCCC 502637642 ORYCGFMLHGEKPG-UHFFFAOYSA-N 464.566 5.018 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 508143232 OBEYUQSXFXONCN-UHFFFAOYSA-N 451.526 5.204 30 20 JKED CCN(C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)[C@H](C)c1ccc(C#N)cc1 509563747 IXHYPXQESBZDHY-LJQANCHMSA-N 470.598 5.305 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)s2)cc1 509640006 YFDFFMYFRSUWAC-UHFFFAOYSA-N 459.506 5.254 30 20 JKED Cc1csc(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)n1 510046452 UEOOBZJDWSASPS-FQEVSTJZSA-N 451.983 5.115 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(-c2ccc(C)o2)n1 510294429 FFMRTHRZURLWGV-UHFFFAOYSA-N 458.996 6.014 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 510705412 VQDKHNSCOJYZSM-UHFFFAOYSA-N 474.948 5.384 30 20 JKED CSCC[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)N1C(=O)c2ccccc2C1=O 511552611 HPUSEKDLZCHJOD-XMMPIXPASA-N 485.565 5.015 30 20 JKED CCCCCn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c2ccccc2c1=O 512493786 KWHHBZATOSSNBE-OAQYLSRUSA-N 472.570 5.209 30 20 JKED C=CCN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 512595686 UFAQZZSLSBFKKF-UHFFFAOYSA-N 491.638 5.361 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(OCC(F)(F)F)c(C#N)c4)cc3)o2)c1 515429112 HMQILQTUSFXXQD-UHFFFAOYSA-N 478.430 5.777 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nnc1-c1cccs1 515651465 OYCRDPMGNHOGKC-UHFFFAOYSA-N 489.626 5.402 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)cc1 516387405 DKPADYGPMGTEML-UHFFFAOYSA-N 480.593 5.488 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccc5ccccc5c4)o3)n2)cc1 517800727 DZTVPYHKSAOONK-XMMPIXPASA-N 475.529 6.497 30 20 JKED COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 519516537 PEJKRZXPZDAPDF-KRWDZBQOSA-N 485.565 5.138 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 519878880 NOHVGXHKQNBGCD-UHFFFAOYSA-N 450.539 5.011 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)cs1 520192026 WFZACTBZJUDEDM-QGZVFWFLSA-N 482.565 5.598 30 20 JKED N#Cc1c(F)cccc1N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 520706456 ZHRHRVYYBYJDQY-UHFFFAOYSA-N 461.349 5.090 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 520813431 GHLRRJKDCKHWPV-CYBMUJFWSA-N 459.597 5.546 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCC1 521514661 MJGFXVXDEHHSOM-DEOSSOPVSA-N 454.530 5.040 30 20 JKED Cc1nn(-c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c(C)c1Br 521726101 LRKIZSNXNVDOCZ-CQSZACIVSA-N 469.408 5.756 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(NC(=O)C2CC2)c1 521733894 KQXZWWBZKVSRKQ-UHFFFAOYSA-N 463.481 5.077 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1 521811730 RZMSHUADROZVDW-MGPUTAFESA-N 463.525 5.552 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)c1 522401828 NNDFZNAWFFCPOI-DKLXNKCPSA-N 465.981 5.435 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 523380776 KJDYUUZBTCTRBL-OIKPOIBNSA-N 451.570 5.143 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Br)c2c(c1)OCO2 524389526 LPQVOYLCCTYIHD-UHFFFAOYSA-N 465.303 5.189 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(c4ccc(Cl)cn4)CC3)cc2Cl)c1 524437446 MNDVKXZYZLMCPL-UHFFFAOYSA-N 482.371 5.193 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 524497882 DYNADLGLGJCMNQ-AWEZNQCLSA-N 486.330 5.340 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(-n3ccnc3)c(F)c2)cc1OCC 524680738 UZRDGPKJZVOTMJ-UHFFFAOYSA-N 460.347 5.027 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 552106070 VOBBGCPXUSZKPB-UHFFFAOYSA-N 475.957 5.896 30 20 JKED N#CCCN(C(=O)CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)c1ccccc1 552358720 QMNVXLPNOYXOSW-UHFFFAOYSA-N 495.410 5.644 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)c2cccc(F)c2)c1 579030921 GRYSLBYDXDHSIF-UHFFFAOYSA-N 472.969 5.527 30 20 JKED CCN(CC(F)(F)F)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 589307037 XNQQGOJJMNYLLD-UHFFFAOYSA-N 473.339 5.423 30 20 JKED N#CCc1ccc(NC(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 603651556 MOBKXXZKUQGZJX-UHFFFAOYSA-N 450.995 5.484 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(Oc5cccc(C#N)c5)nc4)CC3)c2c1 603691612 JZDWYKBBJWOVAT-UHFFFAOYSA-N 465.513 5.557 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(SCc2ccccc2)cc1 603959439 IVBONFGHRITZDX-UHFFFAOYSA-N 451.551 6.599 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 604004058 XHGIHGBVCICCFX-UHFFFAOYSA-N 461.949 5.134 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(Cl)c1 604140154 SEDWRVFSPHKCDR-GMAHTHKFSA-N 466.368 5.855 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c12 604448134 QDCVWKVYPHAMCC-UHFFFAOYSA-N 450.546 5.176 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ccc(Br)cc1F 604486312 OXHHEAVMHOXOKG-UHFFFAOYSA-N 454.299 5.527 30 20 JKED Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccccc1 608811499 BVXGVPIKLDIBLZ-UHFFFAOYSA-N 487.537 5.092 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1C 608875162 KVBJVAFDVSHPPY-NRFANRHFSA-N 450.995 5.701 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)c3ccccc3)c2)c1 608940130 WXZHKPNVPVCCJJ-XCRWMPKNSA-N 492.579 5.223 30 20 JKED CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609068605 MGNTYIZWKXCRCF-UHFFFAOYSA-N 498.004 5.073 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104301 UOFJGBAXTQFMQZ-UHFFFAOYSA-N 488.544 5.821 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)cc2)c1 609436164 WLRIRUIYBMAPCJ-OAQYLSRUSA-N 463.946 5.296 30 20 JKED C=CCn1c(SCC(=O)NCCc2cccc(Cl)c2Cl)nnc1-c1ccccc1F 613906594 PSLDYFXXIYCAOI-UHFFFAOYSA-N 465.381 5.028 30 20 JKED O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620311950 MJWNZFKNIYOVCT-HDICACEKSA-N 499.430 5.810 30 20 JKED O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 641854018 DGHLWNIMAPLOEG-UHFFFAOYSA-N 496.180 6.064 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C#N)c(Cl)c1 726405997 HRIYLVYGXNSVGG-QGZVFWFLSA-N 495.819 5.889 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727709577 WJXZRAGCXFJNGA-UHFFFAOYSA-N 477.499 5.655 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 728109454 RBLKKDZFWHWCFO-GFCCVEGCSA-N 493.730 5.874 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccs2)cc1 728422153 CSJCENOFNMLYBZ-QFIPXVFZSA-N 490.610 5.179 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1F 728777343 GGJMWRFRHTUMJC-HXUWFJFHSA-N 488.972 5.142 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)cc1 729144556 DJJCOPPSMZZZKC-OAQYLSRUSA-N 478.643 5.537 30 20 JKED Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 729237511 OOLFOSBWTKMQJP-OALUTQOASA-N 486.597 5.335 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)cc1 729634640 PMSYVAQRXLTBRZ-QHCPKHFHSA-N 476.577 5.252 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(NC(=O)OC(C)(C)C)c3)n2)cc1 730685595 AJSUDJINYOWRKJ-QGZVFWFLSA-N 451.523 6.095 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730718042 UXWIJCAGHKSUKY-JOCHJYFZSA-N 474.517 5.127 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 731062044 XMHQXYCMELKKRK-KRWDZBQOSA-N 456.995 5.728 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(N(C)c2ccccc2)nc1 731071708 WWIBTVOITLNURH-SFHVURJKSA-N 460.559 5.039 30 20 JKED C[C@H](OC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl)C(=O)Nc1ccccc1C#N 731085690 SRFWRMASEAHUAH-HNNXBMFYSA-N 450.926 5.014 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1-c1ccccc1 731312999 RYWPUWKZTFLRRO-XMMPIXPASA-N 489.597 5.056 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(F)cc1F 745583024 BVTMHBODFKWTGM-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CCc1noc(C)c1C(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 745867944 QWZSMPIRDMXEJO-HXUWFJFHSA-N 450.520 5.380 30 20 JKED COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCCCCC#N)cc(OC)c1OC 747659618 ICBWUUONFBRUSC-SILNSSARSA-N 486.568 5.988 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 750302920 OMGDMQUKMAUPGU-FGZHOGPDSA-N 455.436 5.096 30 20 JKED CCCCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nc2cc(C(F)(F)F)ccc21 750509468 UVCQIBQEFNHUIR-CQSZACIVSA-N 452.527 5.589 30 20 JKED N#CCCN(CCC#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2 756408057 DINOXABYIXFCSV-JZJYNLBNSA-N 498.970 5.188 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cccs3)C2=O)c(OC)c1 837394869 IZJXCSGVYYRJJP-JOCHJYFZSA-N 495.626 5.234 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2F)C1=O)Nc1ccccc1F 837519426 UHNKQKYWORMBJF-NRFANRHFSA-N 451.498 5.125 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 837521653 AANGFEWIWGENKE-HRAATJIYSA-N 498.530 5.822 30 20 JKED CC(C)N1CC[C@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 849613198 PVKIJFDTAHMAEW-ZWKOTPCHSA-N 494.455 5.162 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O)Nc1ccc(SC(F)F)cc1 913098806 GYQZJDXEJWMIGJ-AWEZNQCLSA-N 491.463 5.148 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 914544236 SGMGSMOXRLUUHU-HYBUGGRVSA-N 472.614 5.098 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 914556232 YIAIPRSRTFDTHR-IBGZPJMESA-N 489.544 5.634 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(COc2ccc(F)cc2)n1 914744607 XTLIBDHAPLCPLS-PJXYFTJBSA-N 470.410 5.501 30 20 JKED CS(=O)(=O)c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1 914835367 DMUYIJWKRZFDAL-UHFFFAOYSA-N 450.951 5.042 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915102034 QBQYJXDJSUXJPR-GOSISDBHSA-N 478.986 5.591 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CC3CCC3)C2=O)c(OC)c1 915110834 DKMLQYKENITOBW-OAQYLSRUSA-N 488.009 5.118 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CC2CCC2)C1=O 915116645 LOQFWPGKPGRNSP-HXUWFJFHSA-N 489.544 5.057 30 20 JKED Cc1sc2ncn(N=Cc3cccc(OCc4ccccn4)c3)c(=O)c2c1-c1ccccc1 915943971 BAFKSHCHRNKQHD-UHFFFAOYSA-N 452.539 5.290 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(F)(F)F)c1 916217898 YCCHHTAFTJLNNS-LJQANCHMSA-N 477.508 5.278 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)c2)cc1 916449768 LPRDLDGPCHJHKD-UHFFFAOYSA-N 488.547 5.811 30 20 JKED C[C@H]1CN(c2ccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)cc2F)C[C@@H](C)O1 916836146 HJRZXMKKHKDDFU-OYRHEFFESA-N 459.565 5.180 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Br)cc1 916897165 KHXJPIZKYVCNRH-OAQYLSRUSA-N 493.357 5.306 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916915429 JKUVSXKJXKQFLN-KRWDZBQOSA-N 453.548 6.139 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1C 916919276 VIGNHFWUXOSFEP-JOCHJYFZSA-N 454.555 5.082 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916923398 NWDSKPYGLGUZFO-SFHVURJKSA-N 479.876 5.400 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(OC)c(Cl)c3)sc2C)cc1 916940922 ORGGOARNMVXFSE-SFHVURJKSA-N 454.935 5.355 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2Br)cc1)C(=O)Nc1ccccc1C#N 917300663 FQHFHSYVBSUARC-INIZCTEOSA-N 479.330 5.084 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccccc2)C=C1 917610477 MILMSQOWLUAMGB-UHFFFAOYSA-O 468.602 5.857 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2cccc(C)c2)N=C1C 917611638 MYTUMLOPYRHWEJ-UHFFFAOYSA-O 490.693 6.847 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)c(F)c1 917688006 YYUKUFJNLFGXMJ-FQEVSTJZSA-N 477.989 5.093 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(C(F)(F)F)cc2)C1=O 917702948 XRGDMZVPVSFKOB-HXUWFJFHSA-N 471.504 5.126 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C#N)cc3)C2=O)c1 917704288 XOYGVCOWXXDNFP-RUZDIDTESA-N 493.592 5.207 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3ccccn3)C2=O)c1 917711730 CWASDCMTPUKQMS-DEOSSOPVSA-N 488.613 5.374 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 917712122 DXLCJSRPNKPLOU-QFIPXVFZSA-N 471.598 5.336 30 20 JKED CCCC(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 918491076 XDNVFHWDSZNFFF-BBRMVZONSA-N 450.391 5.332 30 20 JKED COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 918636487 FOVFKVNQJGYETB-UHFFFAOYSA-N 473.529 5.745 30 20 JKED O=C(/C=C/c1csc(COc2ccc(Cl)cc2)n1)c1ccc(N2CCOCC2)c(F)c1 918713098 OYFMVLJMYOBVNQ-XBXARRHUSA-N 458.942 5.247 30 20 JKED Fc1ccccc1-c1nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=S)n1C1CC1 918735819 RCBBVMVATIHNQR-TXEJJXNPSA-N 468.442 5.575 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)C(=O)c1cnn(C(C)(C)C)c1 919699474 NHNZAPJLGBEEAP-NRFANRHFSA-N 491.573 5.042 30 20 JKED COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 920005069 HIEXEVVHFFJWBI-UHFFFAOYSA-N 473.529 5.745 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c(C)c1 920353347 HOLUKHCFGBRSTF-DEOSSOPVSA-N 490.629 5.686 30 20 JKED Cn1cc(C=NNc2ncnc3scc(-c4ccc(F)cc4)c23)c(-c2ccc([N+](=O)[O-])cc2)n1 920367839 BXHSERWDWONDTA-UHFFFAOYSA-N 473.493 5.252 30 20 JKED COc1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)ccc1OCC#N 920407642 NNQJHLPWPCQQJN-QFIPXVFZSA-N 453.420 5.387 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)cc1 920806875 RUOKAXMSAFYPPP-MSOLQXFVSA-N 465.525 5.125 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)COCC(F)(F)F)c1 921252322 HDHIMIHZIPIBJM-HNAYVOBHSA-N 497.514 5.062 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 928681512 LXEAGXBHEBVSMM-SFHVURJKSA-N 486.503 5.138 30 20 JKED CCOc1ccsc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3C#N)CCC2)cc1 1785773901 IKKVDNXGHDKNJK-UHFFFAOYSA-N 489.597 5.017 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cn5c(Cl)cccc5n4)CCC3)cc2)cc1 1785795979 LNZPPWCDUKUCDV-UHFFFAOYSA-N 497.986 5.240 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1785842160 RPUZPXIQTRSPRT-FQEVSTJZSA-N 483.653 5.370 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4onc5ccccc45)CCC3)cc2)c1 1786041143 AIZROSZFEGRJOK-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3Cl)CCC2)cc1 1786364705 NRNUHUDJCDDJDK-UHFFFAOYSA-N 458.961 5.139 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC(C)(C)C3)CCC2)cc1 1786548379 UTFPLMWUVCUEBK-OAQYLSRUSA-N 469.626 5.026 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)(C)C)oc3C)cc2)CCC1 1787390850 WLPRTRQIYWODEE-OAQYLSRUSA-N 452.595 5.206 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CNc4ccc(F)cc4)cc3)CCC2)c1 1787986969 ZMCWBJRQUBJYLK-LJQANCHMSA-N 470.548 5.313 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1788029486 BOJSXIBRJOJVOG-UHFFFAOYSA-N 478.980 5.116 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1)c1ccc(O)cc1 1788466460 UPNJFFPVGISQMI-NRFANRHFSA-N 492.579 5.213 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)c4ccccc4c3)cc2)CCC1 1788519086 WPQPSZIZURPQDY-UHFFFAOYSA-N 476.374 5.654 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1788578532 XGWIHGMCFBSFOC-QHCPKHFHSA-N 481.637 5.192 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc2)CCC1 1788989445 CYPVXEKGIRTDBD-RDRPBHBLSA-N 490.007 5.108 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)cc2)CCC1 1789293753 WOJPBPSOZKIXBX-UHFFFAOYSA-N 496.533 5.869 30 20 JKED CCc1nc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)co1 1789508151 QOXPIZUQZSZUQD-UHFFFAOYSA-N 451.643 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Cl)ccn34)CCC2)cc1 1789626011 HDDVZBYTCKFHQP-UHFFFAOYSA-N 464.997 5.728 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)c1 1790072725 ICGRGIJUFKFGRV-UHFFFAOYSA-N 467.516 5.140 30 20 JKED COc1cc(F)cc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(OC)c4)cc3)CCC2)c1 1790075908 RRFFBOMIIKQAQX-RUDMXATFSA-N 499.542 5.176 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnccn4)c3)cc2)CCC1)C(F)(F)F 1790082718 HUUGTTBFNBFJOJ-UHFFFAOYSA-N 466.463 5.010 30 20 JKED Cc1cccc(C)c1SCC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1 1790146469 RGPGYBAXXCCVOH-UHFFFAOYSA-N 458.587 5.043 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cnc(CCCCC)s3)CCC2)cc1 1790512770 DUQSDBCFJGYETB-UHFFFAOYSA-N 483.634 5.133 30 20 JKED CCCCCc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)s1 1791078563 XGAUYEJLMPWULY-UHFFFAOYSA-N 461.591 5.137 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)Cc3cc(Br)ccc3Cl)cc2)CCC1 1791198743 WDAZUFAKOQANQV-CYBMUJFWSA-N 481.843 5.097 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791587847 QKHVWNZLCUQDMP-UHFFFAOYSA-N 489.616 5.304 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cnc1C 1792123298 SXINGCZJKGKGLS-IBGZPJMESA-N 452.558 5.387 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCOCC1)C2 1792574853 LAHZOPKZBZXXQA-NUNAXRQHSA-N 473.057 5.019 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(F)CCCCC1(F)F)c1ccc(F)cc1C(F)(F)F 1797806467 BMPVQANHFPSPCP-IGMJJTELSA-N 480.424 5.014 30 20 JKED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccc(OCc2ccccc2)cc1)C(C)C 1802082725 SYOXRNKBMQXXOJ-GFQWBHFJSA-N 472.629 5.057 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1802437198 LTBSZACXVJUGEM-HFSBSBEISA-N 493.749 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1803084495 QSGXWCIBVXEANX-RDPSFJRHSA-N 494.060 6.038 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@H](S)C(C)C)[C@@H]2c2cccnc2)cc1 1803608564 XHVSJOLXWJJTBN-FXVJXKIMSA-N 481.706 5.017 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1809306692 UINNRADRAJSXRN-RGSZASNESA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1810179189 ZKUOFAJYGILIFW-XQFWAAQXSA-N 489.513 5.328 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1810181014 BKBPBNQETYXMIO-DNRSQYFGSA-N 492.063 5.631 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(C(F)(F)F)cc3Cl)[C@@H]2c2cccnc2)C1 1810960244 SNWNQGWJGGHTQQ-IERDGZPVSA-N 477.914 5.040 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811540031 YCSMUKQTCYTMIG-VIZCGCQYSA-N 479.624 5.570 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1812789622 AUMGBCLTAVQRKI-SGYRORMPSA-N 493.673 5.050 30 20 JKED N#CCCC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814148075 HHVREQPPEUCBJO-LITSAYRRSA-N 474.649 5.365 30 20 JKED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1)c1ccc(Cl)cc1 1814661575 XBJLECJDGUKUJR-AOMKIAJQSA-N 461.953 5.044 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1815245407 NGBPRNCHWJUFNI-DVECYGJZSA-N 491.617 5.207 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)CCCCC)[nH]n1 1815463237 VJJFGSSMBRCQMW-IRFCIJBXSA-N 489.661 5.088 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCC#N)n[nH]3)ccc21 1817122418 QVSXKSKNERTLRB-DEOSSOPVSA-N 468.561 5.147 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)CC1 1818116946 PZVJAHLBJBIJGU-NDDJGDGRSA-N 482.650 5.509 30 20 JKED C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1818959846 FHEIZDVZIXMFJO-WNYOCNMUSA-N 473.499 5.042 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c3ccccc23)n[nH]1 1818984160 USDVMTBGJYMKEL-JOCHJYFZSA-N 493.405 5.435 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985205 SGBLSUVSYCHIIV-AZUAARDMSA-N 493.555 5.170 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4cnccc4c3)[nH]n2)c1Cl 1820219139 KTABEJWNAMNPDR-JOCHJYFZSA-N 484.947 5.103 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)[nH]n2)cc1 1820549318 QPQYDOSKHHKWKY-QFIPXVFZSA-N 494.580 5.368 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)n[nH]2)C1 1821007311 QBYROIPAJHOFOL-AZGAKELHSA-N 490.554 5.880 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821180785 BIVPSQODPBJLRL-QHCPKHFHSA-N 463.626 5.778 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)cc2F)n[nH]1 1821327027 AJUIESFHLYOYLN-HSZRJFAPSA-N 468.573 5.410 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc4ccc(Cl)cc4c3)n[nH]2)c1 1821428841 LGYHJALYSSWVET-XMMPIXPASA-N 498.974 5.411 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc4ccc(Cl)cc4c3)n[nH]2)c1 1821429475 XDEFUPPSRDKYSX-HSZRJFAPSA-N 484.947 5.103 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4c(Cl)cccc34)n[nH]2)c1 1821542261 ZRXCVVUYLXAGNG-NRFANRHFSA-N 490.926 5.175 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)CC1 1822102796 DPXZCOWJHPRQQW-CMQDFMBFSA-N 482.650 5.365 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 1822250299 UBMSBCKLQFIRKN-TUNNFDKTSA-N 497.437 5.162 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCc4ccccc43)n[nH]2)cc1C#N 1822525533 GMZYMMWBHJEZFF-ILBGXUMGSA-N 497.599 5.104 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cc(Br)ccc3F)CC2)C1 1823697634 SROWKVMIPVCQIC-HSZRJFAPSA-N 491.445 5.107 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3c(Cl)cc(Cl)cc3Cl)CC2)C1 1823697658 DCEQUBFHFAORQC-OAQYLSRUSA-N 499.866 5.612 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)cc1 1823809935 FENVSVBUDAUJHI-SANMLTNESA-N 478.036 5.007 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Br)CC1 1823930783 YQFJEHVXQUQEQM-IBGZPJMESA-N 487.360 5.033 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1824861968 PYJVGXSMYVUBPC-BOSLPAGOSA-N 490.619 5.220 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1825572448 BRSLFPCBKCLKDP-MUUNZHRXSA-N 498.602 5.168 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1)C(F)(F)F 1827331031 NGXWQVBUILWYQC-DEOSSOPVSA-N 485.550 5.409 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1827494971 DPFDAZQRTIICHX-SIKLNZKXSA-N 469.029 5.170 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991111 HTWIVSMLUYLOGR-VGSWGCGISA-N 488.053 5.079 30 20 JKED C[C@@H](Cc1ccco1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828908764 VEZRWJQIEJWVKX-WIOPSUGQSA-N 470.730 5.129 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)n2)CC1 1829243255 ODPCBZHGKCVBOW-FPOVZHCZSA-N 463.544 5.102 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829672913 MKGLZJPCRJETOB-AREMUKBSSA-N 495.715 5.591 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829927546 VSSJOUHWKXHOID-RLWLMLJZSA-N 473.617 5.259 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578972 PCBZCGLBJHGJRF-OAQYLSRUSA-N 468.947 5.396 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830606638 RUJLZCQMPQRAEL-HXUWFJFHSA-N 468.972 5.183 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1830719109 SKRHIZILGOWVBM-VWLOTQADSA-N 492.982 5.379 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c(Cl)c1 1830725046 XPCHTXXKUIRJJX-WYGBCJSASA-N 468.041 5.271 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccs3)CC2)cc(C(F)(F)F)c1 1830755490 ZPLNMULLSJEOCA-HXUWFJFHSA-N 475.536 5.186 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)oc2ccccc12 1830825230 BCIDAJJQGYHDSV-DEOSSOPVSA-N 495.583 5.036 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)CC2)C1 1830872757 GPNRBRWPYBRBHZ-DEOSSOPVSA-N 451.998 5.088 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831310669 VESITGBVDVFKKC-HTAPYJJXSA-N 468.535 5.219 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1831373856 IFVVYOXJTMDYAT-VWNXMTODSA-N 476.702 5.501 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3ccccc3)n2)CC1 1832028694 VYRXQKJXAJISGC-HHHXNRCGSA-N 457.618 5.176 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832628624 YXTPZJQUCZAFFU-AUSIDOKSSA-N 479.646 5.321 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832709219 YFUJCXRSHWZYOJ-PMACEKPBSA-N 474.564 5.032 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1 1832786753 ZVVHUWRCHZZIOK-AREMUKBSSA-N 487.644 5.311 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1832826337 MZVSSEVYTQNNGK-FQEVSTJZSA-N 487.463 5.311 30 20 JKED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-c2ccc(CCCC)cc2)cc1 1847807259 GYJUUUHWUFOUEY-NSOVKSMOSA-N 474.645 5.494 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173465 CTVVWRCLORUQBC-UHFFFAOYSA-O 479.669 6.795 30 20 JKED CCCN1C(=S)N[C@@H](c2cccc(C#N)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 11202692 PGALHUHWMNVJFN-FQEVSTJZSA-N 458.509 5.131 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2Cl)c1 14669644 MIKSXJSZNXMQNC-UHFFFAOYSA-N 489.424 6.244 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 21178962 HBHVGIIMZGGRAL-UHFFFAOYSA-N 490.654 5.633 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1cccnc1 21680446 UQVNKILHQJPERC-FQEVSTJZSA-N 468.586 5.065 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)n2C2CCCCC2)cc1OC 22118877 IJONFNUCUYHIMC-SFHVURJKSA-N 497.665 5.291 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)c3ccc(-c4nc5ccccc5s4)s3)n2)C[C@H](C)O1 22300495 HFQHWPYCHLQQKC-KBPBESRZSA-N 470.645 5.727 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(O)c1)c1cc(F)ccc1F 22690204 QFYYVGKHRHETJS-UHFFFAOYSA-O 467.489 5.324 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 23739012 WTHUKTLFCQBLSI-UHFFFAOYSA-N 477.007 5.039 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1 26795780 UTHPPYDBWJWDOE-UHFFFAOYSA-N 461.587 5.125 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)n1 27870097 URVSRHYVVMIGFQ-UHFFFAOYSA-N 488.466 5.403 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc3c(c2)CCCC3)c1C 28695778 WMUUWAQISZNAPJ-UHFFFAOYSA-O 496.656 6.205 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3OC)cs2)nnc1-c1ccc(Cl)cc1 32580734 OOQAQPZVQIISCR-UHFFFAOYSA-N 498.033 5.647 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1Cl 36654512 ZKDJRSNGMMTNNG-UHFFFAOYSA-N 477.952 5.388 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2sccc2c1=O 36799843 KLKCLTPFJGPVRS-UHFFFAOYSA-N 463.609 5.566 30 20 JKED Cc1cccc(NC(=O)CSCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 107649247 RFMMINNONKSBNT-JOCHJYFZSA-N 463.990 5.614 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc3ncccc3c2)c1 107894793 IPVATGUDZKNFPM-UHFFFAOYSA-N 477.973 5.522 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 116552990 GOXSCBDDVSWOFY-UHFFFAOYSA-N 485.399 5.130 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2ccccc2n1C(F)F 195557327 PRRJJDKBUKPAGO-CABCVRRESA-N 491.325 5.467 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 302959815 PYFISRYRBVUZRI-HNNXBMFYSA-N 467.959 6.169 30 20 JKED C=CCOc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2OC)c1 303046882 XHBVCEKFMBLKGL-UHFFFAOYSA-N 455.514 5.374 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 409780711 AYUQZUBDDZRGNA-LJQANCHMSA-N 494.638 5.440 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2cc(-c3ccccc3)sc2c1=O 487993052 MPXJEAFXQQGPQH-INIZCTEOSA-N 477.611 5.439 30 20 JKED CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)CC1 488842616 XDQIYVVMUBTVFW-UHFFFAOYSA-N 468.601 5.114 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 491332209 KJIYRJWKMWHEIM-UHFFFAOYSA-N 451.473 5.096 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1 505624687 XYCDZNNSTDLKGO-UHFFFAOYSA-N 481.537 5.471 30 20 JKED CC1(C)CN([C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccc(Cl)cc2)CCO1 509531413 CXRNFWFOADVSED-JOCHJYFZSA-N 455.002 5.115 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)cc2Cl)cc1 511615734 XHTKDFLVAHTZRF-LJQANCHMSA-N 499.958 5.371 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc(C(F)(F)F)cn1 513217741 DKRZBLIXVDXWMA-CQSZACIVSA-N 478.224 5.198 30 20 JKED COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc(OC)c1OC 514106895 CUQCXZJCNWENOH-SFHVURJKSA-N 477.536 5.196 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)NCC#Cc3cccc(C(F)(F)F)c3)ccn2)cc1 515792994 VIBBSMIWVSVARF-UHFFFAOYSA-N 469.463 5.142 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 515871197 KULZDYSHSKYDMJ-UHFFFAOYSA-N 473.941 6.460 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)n1 516345573 WRYNTQJEGJARKE-LJQANCHMSA-N 488.590 6.117 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516714181 SYFPDHIYRUYRGU-MRXNPFEDSA-N 458.524 5.387 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 518676871 UYHJBKDUDWPPAP-AUSIDOKSSA-N 455.583 5.051 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)cc2F)c1 519199037 KETUBIFWAYBWRH-UHFFFAOYSA-N 496.546 5.473 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 519876717 KOUONIADLQVKTQ-UHFFFAOYSA-N 471.538 5.248 30 20 JKED C=CCN(C(=O)Cn1ccc(=O)c2ccccc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 520092906 MBYMUIGWIREKFR-UHFFFAOYSA-N 470.381 5.651 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(OC(F)F)c1 520845481 IYWSEOYTYCERSF-GFCCVEGCSA-N 487.450 5.128 30 20 JKED CC(C)C(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 523901003 FUOBFDQYLVUJTC-GOSISDBHSA-N 454.958 5.020 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccccc1OC(F)F 524440940 IUWSNRFMONLSLF-QGZVFWFLSA-N 451.473 5.930 30 20 JKED C=CCn1c(SC[C@@H](O)COc2cccc(C(C)=O)c2)nc2scc(-c3ccccc3)c2c1=O 588379940 QLZDNNACCMFNIT-FQEVSTJZSA-N 492.622 5.046 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 590327885 OOBDWPQMCROVSK-UHFFFAOYSA-N 450.358 5.049 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 603656374 RGHRIVQTUBEPRH-UHFFFAOYSA-N 452.864 5.262 30 20 JKED Cc1nc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)sc1SCC#N 603964442 MYCCXLDOOGKQIV-UNMCSNQZSA-N 476.627 5.186 30 20 JKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003182 IQSKNZYETKDZGD-MRXNPFEDSA-N 455.341 6.044 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(I)c2)cc1 604003607 LJMFFKAUUBNQMG-UHFFFAOYSA-N 468.294 5.189 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)cc2Cl)cc1 604027282 UCIAXNZCYQNQMX-UHFFFAOYSA-N 492.940 5.823 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 604129673 OCQNPVIJKXVUSL-VWLOTQADSA-N 464.972 5.214 30 20 JKED CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4ccc(Oc5ccc(C#N)cc5)nc4)CC3)c[nH]c12 604226542 RQVRZBKBTSURDR-UHFFFAOYSA-N 493.567 5.134 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)cn2)cc1 604431077 UNASPXYQJGEQEL-UHFFFAOYSA-N 474.480 5.126 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cc(Br)cs1 609079041 GTYHZBQFVSXHFC-UHFFFAOYSA-N 456.365 5.591 30 20 JKED N#CCn1c(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)cc2ccccc21 609165811 VYEJDMJRFSBGRM-UHFFFAOYSA-N 474.923 5.238 30 20 JKED COc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1OCc1ccc2ccccc2n1 609172573 GBANOENSYPJNEA-UHFFFAOYSA-N 462.509 5.553 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccc(NC(=O)C4CCCC4)c3)c2)cc1 609209851 PTPYSSJWOHGKRG-UHFFFAOYSA-N 454.530 5.801 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 609376863 LDTXHRAECPLIIK-HJPURHCSSA-N 454.567 6.689 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccnc1Oc1ccc(Br)cc1 609377520 WQFXPEMSPVMTFD-HNNXBMFYSA-N 468.376 6.140 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 609402750 OSTZJJVOAHOKQY-KRWDZBQOSA-N 460.603 5.073 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccc(OC(F)F)cc1 609410082 CRCFQXNQOVQSHW-NRFANRHFSA-N 493.901 5.738 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)cc1 609426721 NLPZSCQHNGCUBQ-UHFFFAOYSA-N 482.584 5.204 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(NC(=O)c4cccc(F)c4)cc3C)n2)cc1 613318185 OSHPIHPHWZXXSG-LJQANCHMSA-N 475.570 6.370 30 20 JKED C=CCn1c(Sc2cc(-c3ccccc3)nc3ncnn23)nnc1-c1ccc(Br)cc1 613393780 METOOOCBRLFAOK-UHFFFAOYSA-N 490.390 5.150 30 20 JKED CSc1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1-c1ccccc1 613403676 FREZZFINCLZMBV-AWEZNQCLSA-N 458.490 5.713 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccnc(Oc2ccc(OCC)cc2)c1 615727314 HSBKCKBOMXSILS-UHFFFAOYSA-N 457.983 5.885 30 20 JKED C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)c1nc(-c2ccccc2)cs1 641902221 JNUSYZHUOMKKGQ-UHFFFAOYSA-N 495.670 5.047 30 20 JKED O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1C(F)(F)F 642193686 ZCYJZBXQUMFJFF-HTQZYQBOSA-N 477.776 5.547 30 20 JKED C=CCn1c(SCCCc2nc(-c3ccncc3)no2)nnc1-c1ccc(Br)cc1 645084644 YLZOPXSJXHNTJI-UHFFFAOYSA-N 483.395 5.064 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2)cc1Cl 726407246 QBUDEIOJVXKKLO-JOCHJYFZSA-N 474.973 5.372 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\[C@@H](C)c1cccs1 726419612 GDBMFTWTGDWEAI-DACPOWDSSA-N 456.420 5.465 30 20 JKED COc1ccc(N/C(S)=C(C(/O)=C2/N=C(C)C(C(C)=O)=C2C)\[n+]2cccc(C)c2)cc1Cl 726962971 WYBWUVOFUCHCSZ-UHFFFAOYSA-O 471.002 5.262 30 20 JKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc4c(c3)OCCCO4)cc2Cl)c1 727979032 UHSKNLAOLWVLMJ-UHFFFAOYSA-N 465.962 5.761 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 728062909 QUNZGAUPRQEDDX-KRWDZBQOSA-N 453.464 5.904 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1 728669964 VQLTWVHYRAYZCH-UHFFFAOYSA-N 487.512 5.988 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(C3CCCCC3)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697601 SWCIZHIPHJSTGO-PMAJZFJKSA-N 495.623 5.953 30 20 JKED O=C1/C(=C/c2cccnc2Cl)CN(c2ccc(F)cc2F)C/C1=C\c1cccnc1Cl 728697876 YPWQYHQAZXPXIN-CZCYGEDCSA-N 458.295 5.618 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)c1 728778101 QDRQITGPYUNRQZ-NRFANRHFSA-N 485.009 5.311 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 728780584 UUMUQPBSVZMIBB-FQEVSTJZSA-N 483.956 5.005 30 20 JKED CN(CC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1)C(=O)OC(C)(C)C 729034573 MGFUNWVMOZNQFS-UHFFFAOYSA-N 492.620 5.442 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCc3c(C)cccc32)cn1 729631863 MBPYUSYPUHAWMN-XZOQPEGZSA-N 486.597 5.046 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)c1 729634708 RKBOGPXLPZAXNR-QHCPKHFHSA-N 458.587 5.113 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(C3CCC3)C2=O)c([N+](=O)[O-])c1 730461668 RATVHJYNAWHEDX-IBGZPJMESA-N 472.954 5.069 30 20 JKED N#Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)nc1 730891601 ZIVGZNQFHCHWML-LJQANCHMSA-N 459.811 5.162 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1Cc1ccc(Br)cc1 731030338 FCRMMWGEGZQJIB-PXNSSMCTSA-N 472.452 5.346 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 731080151 IWCWEPRPZBSJND-BMFZPTHFSA-N 463.386 5.531 30 20 JKED N#CCOc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)cc1 731156585 WBORCHHKECMMOY-UHFFFAOYSA-N 463.584 5.173 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(Br)cc3F)n2)cc1 745313031 IPGOWCCJJKXYJH-QGZVFWFLSA-N 454.324 5.392 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)cs1 745625651 CJPSNNCKAPMEDS-KAMYIIQDSA-N 460.534 5.665 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)CC2)c1 749147275 IYRGWSRGVPWYLH-UHFFFAOYSA-N 472.159 5.058 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 750306784 NDHNPDXFIQFLSH-JOCHJYFZSA-N 471.435 5.413 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@H](c3ccccc3Br)C2)cc1C 750761736 DSCBYECHKPRZOF-HSZRJFAPSA-N 493.405 5.057 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c2Cl)cc1 753868901 OZSNKURFFFBKAN-UHFFFAOYSA-N 474.948 5.110 30 20 JKED C[C@@H](OC(=O)c1cccnc1Sc1ccc(Br)cc1)C(=O)Nc1ccccc1C#N 776732975 NAEZHXXBFRYBJD-CQSZACIVSA-N 482.359 5.051 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@H](C)c3cccnc3)C2=O)cc1 837301630 MPVIGOKXQPGSBX-AUSIDOKSSA-N 458.587 5.420 30 20 JKED COc1ccc(C2=NN(C(=O)CON=C(C)c3cc4ccccc4o3)[C@H](c3ccco3)C2)cc1 852755051 VGFCCGHJQIYVJN-QFIPXVFZSA-N 457.486 5.153 30 20 JKED CC(C)(C)OC(=O)N1CCc2c(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)cccc2C1 864032633 GFCUZIFBUZTNOL-UHFFFAOYSA-N 474.605 5.175 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(-c2nc([C@H]3C[C@@H]3C)no2)ccc1Cl 904819799 SKYZCDYGCBWJLM-ZFWWWQNUSA-N 464.374 5.548 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 912657214 ODNRWRITJROLJB-UHFFFAOYSA-N 496.032 5.574 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 914546948 UAALGDGZDOCBTB-RDPSFJRHSA-N 472.614 5.098 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)Cc1ccco1 914690591 ZYIFXEOGDANPHC-QRQCRPRQSA-N 499.539 5.158 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)c(OC)c2C)c1 914735541 YMFGBNZUCPJDOD-UHFFFAOYSA-N 485.005 5.599 30 20 JKED O=C1Nc2cc(OC(F)(F)F)ccc2C1=NNc1ncnc2scc(-c3ccc(F)cc3)c12 915049784 TUGZZAXYLSCSED-UHFFFAOYSA-N 473.411 5.164 30 20 JKED N#C[C@@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915103812 GAHVTRFEHHBEHY-HNNXBMFYSA-N 464.559 6.674 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 915105296 ZQGMIECJEMTSOP-MRXNPFEDSA-N 486.475 5.573 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1Cl 915656250 JPYCRSRJGYCSAL-IBGZPJMESA-N 466.324 5.013 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc1 915759587 XSHITHZZBIXIRQ-NDEPHWFRSA-N 493.538 5.315 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F 915771533 JDGDKRWPKOTJDW-YADHBBJMSA-N 463.484 5.149 30 20 JKED COc1cc(OC)c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1Cl 916154345 CNYZEONLSTUENH-KHPPLWFESA-N 456.325 6.159 30 20 JKED O=C1/C(=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CS(=O)(=O)c2ccccc21 916154725 QUUMWZQMTSAOTD-PTNGSMBKSA-N 455.875 5.094 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CC2)C1=O)Nc1cccc(Cl)c1Cl 916205980 MXQKTGHIVARJDV-INIZCTEOSA-N 452.338 5.255 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1F 916209507 LSZZTRJBIJXOEV-LJQANCHMSA-N 475.904 5.372 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(C[C@@H]3CCCO3)C2=O)c1 916209833 RYXUBLXRJJSJJF-LAUBAEHRSA-N 472.010 5.096 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916210540 DPLNYTGIIGZILO-KRWDZBQOSA-N 467.900 5.482 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)cc1 916212894 TUJPFYPQTZXTQD-OAQYLSRUSA-N 464.978 5.204 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(OC)ccc3OC)C(=O)N2C2CCCC2)cc1 916214966 RWLPAYWVBZYMLI-QHCPKHFHSA-N 481.618 5.169 30 20 JKED Cc1nc2ccccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 916293535 SMSRLWIXJNUZNK-UHFFFAOYSA-N 463.541 5.227 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)cc1 916910830 CEGRKYUNOXEJLO-DEOSSOPVSA-N 489.535 5.263 30 20 JKED N#C[C@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 916928628 POPHZYXHCDRHQH-GOSISDBHSA-N 493.350 5.270 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997019 QQPJEHAQFATBHU-KPZWWZAWSA-N 490.437 6.432 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 917032881 VSBZTXMKSLBTEB-CLXVDENGSA-N 479.671 5.926 30 20 JKED N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917042116 BQWYGDUFQMJIMN-LBPRGKRZSA-N 463.531 6.283 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1nc2cc(Cl)ccc2s1 917046243 IJOVKHVPRYWTNH-AWEZNQCLSA-N 470.938 5.217 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C1=O 917675621 SAORLIZXKZDAPA-IQOKHDRSSA-N 489.597 5.572 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc2ccccc2c1 917698718 BCMQBMWOSXYVLJ-OAQYLSRUSA-N 492.398 5.196 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C)s3)C2=O)c1 917702355 GPJMYLMMFLWZQF-HSZRJFAPSA-N 488.638 5.706 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(C3CCCC3)C2=O)cc1Cl 917705258 YFOMTXKELFJHAM-NRFANRHFSA-N 482.993 5.123 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1C#N 917707245 TZZZVFUIQOVVAT-IBGZPJMESA-N 485.407 5.081 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)S1 918713494 MCSCWEAUZGERFY-YVLHZVERSA-N 459.518 6.337 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1C 918895280 XWLVYPPSIJDIPI-UHFFFAOYSA-N 467.978 5.113 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c12 919205575 IYCNGMAPQLNREN-HNNXBMFYSA-N 493.633 5.224 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C)nn(-c4ccc(Cl)cc4)c3C)n2)cc1 920138656 HKMMTOUIRZQERB-QFIPXVFZSA-N 476.989 5.694 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ncnc4sc(C)c(C)c34)n2)cc1 920139558 UVRCMXJBXMYTTG-MRXNPFEDSA-N 466.613 5.409 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nccn3-c3ccc(C)c(C)c3)n2)cc1 920143362 PHYRKDVSNXHURM-OAQYLSRUSA-N 474.611 5.590 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(F)c(F)c3)C2=O)cc1 920356336 SJYXEDXMIIQKEQ-QHCPKHFHSA-N 493.535 5.328 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2cc(C)on2)C1=O 920359399 LQWPYJVJCXCJFU-HSZRJFAPSA-N 492.601 5.276 30 20 JKED O=C(COC(=O)C1(c2cccc(F)c2)CCOCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 920666142 DAVNXEGHEOTKIU-UHFFFAOYSA-N 493.375 5.093 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cnc(-c3ccccc3F)s2)ccc1Cl 920698162 LENMHSQYWYNZIL-UHFFFAOYSA-N 457.914 5.015 30 20 JKED CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1349442122 SDURSTGZMGTKBP-UHFFFAOYSA-N 456.477 5.189 30 20 JKED N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)NCc2cc3c(nc2O)CCC3)cc1 1678484823 RUEKGGNINXYEEQ-UHFFFAOYSA-N 450.951 5.274 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1786102513 OSTYGNKGMMLFJS-QPPBQGQZSA-N 493.648 5.358 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1786205910 YAEDQUULRBVHBE-UHFFFAOYSA-N 458.537 5.023 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(OC)c4)CCC3)cc2)cc1 1786330728 HFQFHQAZDCNFFN-SVBPBHIXSA-N 495.579 5.127 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)cc1 1786620321 LKSDDLYXALMTHR-UHFFFAOYSA-N 457.496 5.358 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3scnc3C)cc2)CCC1)NC(=O)OC(C)(C)C 1787425345 UTWHKGLITGGTBR-FQEVSTJZSA-N 498.649 5.059 30 20 JKED COC(=O)CCCCCCCCCCC(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787890004 JTFFCJGPQXWJHF-UHFFFAOYSA-N 469.626 5.498 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@H]3CCc4cccc(Cl)c43)CCC2)cc1 1789578219 GZSDPMPKWDSKNZ-ZMRKYAEKSA-N 475.976 5.216 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4cc(Cl)ccn4)cc3)CCC2)c1 1789620745 CSQFEFMVENLXEJ-SFHVURJKSA-N 488.975 5.189 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CCC1 1789905044 FVJIRIOKVJHMEV-BRJLIKDPSA-N 476.385 5.515 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)c(C(F)(F)F)c4)cc3)CCC2)CCC1 1792173823 IIWYYVNTNWIFEW-UHFFFAOYSA-N 459.443 5.286 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)cc2)CCC1 1792342216 FOCDMOOOJQJFBA-OUFMZXHOSA-N 481.637 5.121 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1cccc(Br)c1 1793474004 KWQPBGJOMUQSSA-WKCHPHFGSA-N 491.470 5.239 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3Oc3ccccc3)[C@@H]2c2cccnc2)C1 1802415301 FNVHXXTYDUZPDV-WXVAWEFUSA-N 467.569 5.160 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1802492991 SVJKJVLBKHFMBL-SQHAQQRYSA-N 484.644 5.697 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1802747546 RQHHKQFFDQAZIV-QFMFQJCFSA-N 487.003 5.304 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1804167807 GVTYBIOVUPDKHF-GVXSCFBNSA-N 486.081 5.100 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)C1 1804866853 PRNVUURANMZIAG-UHFFFAOYSA-N 468.041 5.725 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)C1 1805047713 RKSWYZVENLATDF-UHFFFAOYSA-N 468.601 5.001 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1806681271 IPQQHULQZLGTOW-WIOPSUGQSA-N 468.041 5.366 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)C2)CC1)C(F)(F)F 1809160854 BDWUORQQJRWGJI-NQIIRXRSSA-N 450.545 5.166 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1810173433 OPRRMJAOXXWIBZ-SDUSCBPUSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810243815 QMDIOAFKGUQZFD-DUGXWYDLSA-N 475.658 5.470 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccncc3-c3cccc(C)c3)C2)CC1 1810341177 CEZSTTOHAHDOGR-VWLOTQADSA-N 471.645 5.670 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1810499698 HGOHAKPLIMWREO-RXVVDRJESA-N 477.527 5.314 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccnc1 1810504149 XNHZMIQLAJLCIU-XXBNENTESA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cc3cccnc3cc2F)[C@@H]1c1cccnc1 1810505229 OGMDRWCEASEOLI-AJTFRIOCSA-N 488.607 5.010 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3cccs3)on2)[C@@H]1c1cccnc1 1810844377 AJEKGCBRIXDUPD-CVDCTZTESA-N 478.618 5.110 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811272282 KIYNLZPRJWWSGB-WNJJXGMVSA-N 482.628 5.002 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Cl)[C@H]1c1cccnc1)c1ccccc1 1811705502 VGBAPXFPRYYBAA-NLJOTIRTSA-N 486.015 5.252 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1811954612 LBOHTNUGLKXTNJ-XCZPVHLTSA-N 489.736 5.576 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812671281 CBZOAHMIGJGFJD-SIKLNZKXSA-N 487.978 5.074 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[C@H]1c1cccnc1 1813229486 QMBXUEGZGJWRJK-PPNCUWOSSA-N 499.577 5.190 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1813963341 PZKMGPMJPZDDQF-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1813968517 UBVALJBHRMUIHV-AUSIDOKSSA-N 489.513 5.328 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cccc(Cc4cccc(F)c4)c3)[C@H]2c2cccnc2)C1 1814010399 MPBKJQPUOJZUBQ-LBNVMWSVSA-N 483.587 5.097 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCc3ccnc(-c4cc(C)ccn4)c3)[nH]n2)C1 1814398851 VRFNGNZTNWGUPB-SANMLTNESA-N 498.631 5.156 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c1 1814583553 NEQVHKRWAPSESM-NYHFZMIOSA-N 479.943 5.449 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(F)c(F)c2)[nH]n1 1814823711 FBKWQCWOVRALTL-JOCHJYFZSA-N 456.537 5.081 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3C(C)(C)C)n[nH]2)c1 1817711564 RMHNSSGGVLQVMV-JPYJTQIMSA-N 484.604 5.349 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1)c1ccc(O)cc1 1818708212 VGOZEDNZDDQLIR-NBGIEHNGSA-N 496.567 5.365 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819129035 VHIXCPJYGHSGOP-DEOSSOPVSA-N 487.680 5.315 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)[nH]n1 1819305110 CUEDDIGZSWXUPL-YJBOKZPZSA-N 469.636 5.464 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)[nH]n1 1819307747 YNWYQWSNPWCGCC-URXFXBBRSA-N 463.626 5.289 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)c(C)cc2OC)[nH]n1 1819309599 XQHZZNZPNRCRLP-SIKLNZKXSA-N 450.583 5.109 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820149748 YFWAVNADLQDPIJ-QFIPXVFZSA-N 480.572 5.185 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c1 1820908178 MJECBNJQMWOJCE-DHTANIISSA-N 459.594 5.479 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820962353 DJSYLXTYPBNMJA-IBGZPJMESA-N 496.599 5.296 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2O)n[nH]1 1821502755 SENVYXQKEZWRFI-IBGZPJMESA-N 450.539 5.160 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821521950 BHGKLVVNYZEUMA-HXUWFJFHSA-N 470.533 5.007 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1821924443 BYTSVZRGLFSAJW-BTYIYWSLSA-N 451.958 5.129 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[nH]n1)C(F)(F)F 1821995146 PPSALYJVZGVIRR-JCOOBLOPSA-N 471.483 5.023 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc3ncccc23)CC1 1824474545 VSHNBKHJOXGVGO-SQHAQQRYSA-N 459.634 5.165 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1824545053 RYHJIWXXHQURNF-PMACEKPBSA-N 474.564 5.032 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1824958172 NWARFRJCBZOEPS-HKRNCWMRSA-N 458.693 5.140 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1827294618 RAXDJDOWGOOKHF-AREMUKBSSA-N 486.660 5.117 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828217254 OCCXHXBWPMOHGN-UPVQGACJSA-N 464.606 5.449 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828497970 GHAMHGNSHVGZIC-QHCPKHFHSA-N 489.994 5.641 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1 1828822190 YDRBZIWHPXBLMA-ZJSXRUAMSA-N 477.020 5.246 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc3c2CCCO3)CC1 1828823998 DGZSSCKWBZYQFP-NZQKXSOJSA-N 456.652 5.075 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c(OC)c(C)c2)CC1 1828827832 WEPGGVBNUKCEKA-DQEYMECFSA-N 452.639 5.314 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccccc3F)CC2)CC1 1828829980 OOYNUIVYQWQGOJ-WIOPSUGQSA-N 452.614 5.245 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1 1829142850 ZUGGLUZRWFIPAS-HTAPYJJXSA-N 486.538 5.208 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1829291960 SRJJRNWWGOQGRY-KDYSTLNUSA-N 496.611 5.516 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829621544 MMCPLTNVQGNBEN-YIXXDRMTSA-N 499.655 5.431 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c1Cl 1829685645 LTDDWUUPAHYLLC-DEOSSOPVSA-N 499.989 5.356 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1Cl 1829689813 QYUOIQQHGCEOEE-QFIPXVFZSA-N 471.935 5.037 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc4ccccc34)CC2)c1Cl 1829690105 LACXTHJKTYGSPI-VWLOTQADSA-N 487.003 5.307 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2SCC)CC1 1829867947 MFCUQCSTPMNURC-OAQYLSRUSA-N 457.684 5.419 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(C)cccc3Cl)CC2)c(C#N)c1 1830288700 RELRGXLHGWGNJD-RUZDIDTESA-N 494.035 5.005 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830535730 CKPOUXZLMSGFSA-MRXNPFEDSA-N 468.413 5.030 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830708045 KITGGELQPLXFHJ-CPJSRVTESA-N 482.715 5.531 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830715672 JMUSULFGHCHXNZ-OAQYLSRUSA-N 491.485 5.165 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1O 1830756776 VYQZWCDIYSOFQX-HSZRJFAPSA-N 499.533 5.138 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c1 1830769183 JEXXBQZCDZZESV-QHCPKHFHSA-N 472.614 5.024 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccncc34)CC2)c1 1830866904 JXCUEKVVSCVQIK-PIKZIKFNSA-N 480.612 5.409 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccn3)nc3ncccc23)CC1 1831373354 CNCNCAQCLXYXJT-IDISGSTGSA-N 497.643 5.137 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCc3ccccc3O2)CC1 1831810454 JVPRZPHTMFELSV-VPUSJEBWSA-N 494.752 5.051 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@@H](C)S)CC3)c2c1 1831838996 JLIVIYBMEUIDLZ-XMSQKQJNSA-N 486.678 5.192 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1832028464 UYENUZPHHRSRNB-MUUNZHRXSA-N 471.645 5.484 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)CC1 1832551765 CXGLGISDVZEALF-ZJSXRUAMSA-N 459.030 5.350 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)c1 1832634094 HOWBAQQVCHNOOL-YUDQIZAISA-N 493.651 5.943 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)CC1 1835816454 GOCMEVONSAIDKE-UHFFFAOYSA-N 497.083 5.066 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC2(CCCN2C(=O)C2CCC(C(F)(F)F)CC2)C1 1841799056 GWEPSEZHMCWURX-UHFFFAOYSA-N 480.424 5.030 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 1847531678 AGTSQMVJLXJXOU-DQEYMECFSA-N 478.036 5.351 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccccc2OC)cc1 10118284 PLBIMZNPRIUZHP-UHFFFAOYSA-O 461.651 6.554 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1cccc(Br)c1 10179079 XXBZIVNENLFJKA-UHFFFAOYSA-O 497.221 5.800 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836218 CXGMJBGQNJMJHR-UHFFFAOYSA-O 475.377 5.802 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113776 PVKFNDSLHAQCBY-UHFFFAOYSA-O 485.645 6.909 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccs2)nc2scc(-c3ccccc3)c2c1=O 11296927 GZZHUIMOUPUJIX-HNNXBMFYSA-N 467.641 5.342 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)s2)cc1 14773092 FNGQBHDFEGSAFC-UHFFFAOYSA-N 483.525 5.207 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cccc(CC)c2)cc1 14871991 PMZGMDZZDJILSV-UHFFFAOYSA-O 472.461 6.847 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 15237033 QVYIBKWKXLSJKK-LJQANCHMSA-N 469.010 5.312 30 20 JKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3cccc(F)c3)o2)c1 16679577 ZUECMIWIUAOLDF-UHFFFAOYSA-N 475.549 5.503 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2c(C)oc(-n3cccc3)c2C#N)cs1 17187999 VVGOFMXGUOJCTF-UHFFFAOYSA-N 480.933 5.402 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccc(OC)cc1 18324925 COTJELUCIOQDEI-AWEZNQCLSA-N 491.598 5.551 30 20 JKED C[C@H](OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18524756 GPEZGFHIBWAGGV-HNNXBMFYSA-N 493.610 5.386 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 18777297 ZIYKMVQPHOZIBW-UHFFFAOYSA-N 453.420 5.251 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)(C)C)cc2)c1 20887853 IJHJWFYQSWLPEF-UHFFFAOYSA-O 464.567 5.239 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1[C@H]1COc2ccccc2O1 21144223 VJUHDZZTFYNXMS-XMMPIXPASA-N 484.581 5.374 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccccc1OC 21456166 SLPDOZXGDQCHJB-UHFFFAOYSA-N 462.547 5.185 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)cc1 22693041 KLLBQYBVNDTRCO-UHFFFAOYSA-O 453.653 5.379 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)cc1 22727442 SMOXZLFODXGZDG-UHFFFAOYSA-O 495.571 5.359 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccc(Br)cc1 23640153 BEBLPZCGBSOQDG-OAHLLOKOSA-N 457.397 5.321 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)CC1 26982576 ZABHQUOVSNEOQU-SFFMRIQBSA-N 462.623 5.173 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCOc3ccccc32)nc2sc(-c3ccccc3)cc2c1=O 27117281 PPSYQMOSOFKECL-FQEVSTJZSA-N 489.622 5.043 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)ccc1Cl 29354609 WCKNIFIOXMPDLW-UHFFFAOYSA-N 489.004 5.330 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)ccc1Cl 29951375 QGOPZVGGJJRGLD-UHFFFAOYSA-N 492.988 5.159 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C(F)(F)F 32291220 IFMCMEUPMIVBSB-UHFFFAOYSA-N 476.458 5.903 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 106115984 SUDJULNYJLCMAU-OAHLLOKOSA-N 452.308 5.223 30 20 JKED Cc1ccc(-c2nc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cs2)cc1 195640054 BGQXMVIUUIQAGX-UHFFFAOYSA-N 453.567 5.945 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccccc1F 216817027 WKXYNOJIRGSUTJ-HSZRJFAPSA-N 474.561 5.751 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)sc2c1CCCC2 247703765 BXICWZKWWLQREE-UHFFFAOYSA-N 450.873 5.609 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)nc2ccccc21 303192884 ZOFNLDILJPTFFJ-HXUWFJFHSA-N 489.630 5.441 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)cc2F)c1 481653570 FIOWQKXYQJQAFK-NVQXNPDNSA-N 459.521 5.566 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)s2)c(C(F)(F)F)c1 487389867 PYUOEKHPICFDKK-UHFFFAOYSA-N 470.476 5.225 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 489834733 IIQIMHYLIAPEHD-FQEVSTJZSA-N 461.537 5.196 30 20 JKED C=CCN(Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1)Cc1cccs1 499047481 GMADHHFKQXBDJW-UHFFFAOYSA-N 478.643 5.412 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500000191 NVFNZQCDJIGECU-UHFFFAOYSA-N 473.989 5.154 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 502690402 CDIWMIISTHYYPJ-DEOSSOPVSA-N 481.577 5.168 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(Oc3ccccc3)nc2)cc1 503056667 RSMRPUNXJVYJEF-UHFFFAOYSA-N 464.525 5.841 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(OCc3cscn3)c2)cc1C 505029307 MVZCAHHIOZJQCX-UHFFFAOYSA-N 457.559 5.368 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 505214004 VAPUOFPZJYIVSZ-UHFFFAOYSA-N 464.356 5.348 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1 506085622 MJHQHHCMQZJIFR-UHFFFAOYSA-N 483.391 5.555 30 20 JKED Cc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1NC(=O)c1ccco1 509143698 YUVSLPBAOXXOAL-UHFFFAOYSA-N 451.482 5.543 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)c2)cc1 509919562 MNJOOIDKRDUVHR-UHFFFAOYSA-N 480.524 5.499 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 509991389 FXIFQKRKTBGQOU-FQEVSTJZSA-N 490.554 5.635 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCNc2nc3ccccc3s2)cc1 511384797 RKFOUNOAXUKKIR-UHFFFAOYSA-N 457.559 5.175 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc(O)c2c3c(sc2n1)CCCC3 513655882 VSUDVZLXOKBTRY-ZDUSSCGKSA-N 450.907 5.074 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)o1 513692151 JSHNPYPKBZSJOG-CYBMUJFWSA-N 450.545 5.099 30 20 JKED CC(C)(C)NC(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513984381 BSWWTYVMHKHLBP-UHFFFAOYSA-N 458.537 5.460 30 20 JKED N#Cc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)ccc1OCC(F)(F)F 515635404 VIZDMBIFJCKHDI-UHFFFAOYSA-N 459.660 5.260 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 515794898 JOPPCURDXDERMF-MHZLTWQESA-N 469.541 5.376 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)Cn4nccc4[N+](=O)[O-])c3C#N)C(C)(C)C2)o1 515840366 LJIDCWBZBKBETL-ALCCZGGFSA-N 463.519 5.043 30 20 JKED N#CCCSc1ccccc1NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 517434548 SUCAQCJRSNOLMW-UHFFFAOYSA-N 480.434 5.379 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1 517861946 QGULYQOESROEMT-DEOSSOPVSA-N 487.968 5.910 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1nc2c(s1)CCCC2 518174711 ORINPYDMDZYHCS-UHFFFAOYSA-N 496.430 5.870 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 518187326 VBZNVRURNVKFSC-UHFFFAOYSA-N 499.464 5.250 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 518240919 LPOVXTOIYBWEKZ-GOSISDBHSA-N 494.580 5.781 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1nc2ccccc2o1 518516615 OEJQPHUZQDAMQR-QFIPXVFZSA-N 469.504 5.778 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 518682174 UTOUOJCYZFSGIB-OAQYLSRUSA-N 481.625 6.172 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1C 518897777 VGFIAOWOIZUMLR-UHFFFAOYSA-N 495.558 5.402 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 520190552 YOIOXTFABYXGBO-WAIKUNEKSA-N 481.980 5.718 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520191786 NVUFVUUUGYFYID-UHFFFAOYSA-N 453.498 5.256 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 520199146 UQBOVURJVHMOFM-QGZVFWFLSA-N 463.990 5.656 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(Br)c3)c2)cc1 520287592 NICAJYLQKYTJGQ-UHFFFAOYSA-N 450.336 5.416 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1cccc(Br)c1 520833851 MHMRPYVDBOPTIB-HNNXBMFYSA-N 465.438 5.594 30 20 JKED COc1ccc(C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccc(OC)cc2)cc1 521420655 GPLONHHYFNQRCN-HHHXNRCGSA-N 457.574 5.479 30 20 JKED COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 522261005 ASFATZIAQHJIAQ-OAQYLSRUSA-N 473.312 5.023 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1OC(F)F 522322493 GBZDDRCBLWFYHD-QGZVFWFLSA-N 453.464 5.772 30 20 JKED N#C[C@H](C(=O)c1cnc(-c2ccccc2)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 522949205 RHHXDEMCLYLENQ-QGZVFWFLSA-N 451.338 6.064 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 523794366 JCNICZZEQBLACF-UHFFFAOYSA-N 480.543 5.583 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 524288116 RXZXNGCBNLEOMS-DEOSSOPVSA-N 451.929 5.298 30 20 JKED C=CCN(C(=O)c1ccn(-c2cc(C)ccc2OC)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 553053847 OIABTQWCSLBFBY-UHFFFAOYSA-N 475.530 5.054 30 20 JKED Cc1ccc(N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C2CCCCC2)nc1 561153474 HDPRQDTUCBUDHY-UHFFFAOYSA-N 459.550 5.092 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 583160798 RFKLSGJMZSIBBQ-NDEPHWFRSA-N 464.569 6.686 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)sc2n1 603921074 MTYXJEAVDDSOEO-UHFFFAOYSA-N 488.569 5.052 30 20 JKED Cc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1COc1ccc(CC#N)cc1 603984031 ZEVSPEISUFYDRT-UHFFFAOYSA-N 471.376 5.203 30 20 JKED C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc(Br)cc1Br 604044281 CKHPDMPUYPNUSJ-CYBMUJFWSA-N 481.188 5.333 30 20 JKED Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(OCc3ccccc3C#N)c2)c1C 604383199 BEDHQXSSHDFEOO-MHZLTWQESA-N 497.595 5.014 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccc(NC(=O)Cc2ccccc2F)c1 609057540 RLNGBOCOPDWVFE-IBGZPJMESA-N 497.526 5.542 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 609370858 CTDYOYSMPOMKGC-CQSZACIVSA-N 474.011 5.020 30 20 JKED N#Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)cc1 609405217 QRPQOHJWMLKLPF-NRFANRHFSA-N 456.304 5.043 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 613997420 YOZMUIMLRHHUGF-XMMPIXPASA-N 495.737 5.246 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c2cnn(C(C)C)c2n1 642282513 ZGIVTPOWOQLLSB-LJQANCHMSA-N 484.510 6.223 30 20 JKED O=C(NCc1ccc(OC(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642343715 YRQNKFFWCPNAAU-GDNZZTSVSA-N 452.317 5.294 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 642477925 RGBBKHRXONDOBS-UHFFFAOYSA-N 463.353 5.534 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccc2C)cn1 726114861 ZZJSKCXAAQKNGF-JOCHJYFZSA-N 496.036 5.334 30 20 JKED CNC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2ccc(COc3ccccc3)cc2)C1=O 726417193 ZGFMEPXIGBIFBB-VAPRLZSCSA-N 493.654 5.024 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/[C@@H](C)c1cccs1 726418157 AJIAOFJQDSSVBF-YPJHDTNPSA-N 494.642 5.050 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccsc3)C2=O)cc1 726418562 DYFDBGJSMDIUQM-QQDOTYKZSA-N 497.667 5.602 30 20 JKED COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2C)cc1NC(C)=O 726428692 ODXHITSXVQPJJF-SQFISAMPSA-N 451.526 5.711 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2ccc3c(c2)CCCC3)c1 726573103 LXLIRWLGRPLERA-UHFFFAOYSA-O 499.659 6.729 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)cc1Cl 726893095 XQYBDYJZDTWSPI-FQEVSTJZSA-N 493.963 5.530 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 728122356 IVNCEUYSKDQGOC-UHFFFAOYSA-N 480.340 5.126 30 20 JKED Cc1ccc(-c2c(C)sc3nc(/C(Cl)=C/c4ccc(O[C@@H](C)C#N)cc4)nc(O)c23)cc1 728700512 RCBLOAOWOBFEQB-DKNZLLBESA-N 461.974 6.709 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CCCCC#N)C2=O)c1 728777508 IGLHGRRPBQWCAK-DEOSSOPVSA-N 492.645 5.745 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ncccc3C)C2=O)cc1 729634664 QIAWTCPTJRPBPE-XMMPIXPASA-N 486.597 5.062 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)N1C1CCC1 730461544 FMPJOEFIBKXVOP-LJQANCHMSA-N 486.569 5.386 30 20 JKED CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2cnnc(O)c2Cl)cc1F 730568452 YIPOMGOBJHAPCI-UHFFFAOYSA-N 480.931 5.452 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cocn2)C1=O)Nc1ccc(Cl)c(Cl)c1 730709099 OCJZFYKSPQXNDA-GOSISDBHSA-N 493.347 5.281 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730719734 JFNZNLCPZSZKOZ-FQEVSTJZSA-N 468.966 5.105 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)c1 730738114 YQKLLCVSOIDMQB-UHFFFAOYSA-N 453.489 5.426 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CCOCC2CC2)C1=O)Nc1ccccc1 730942135 FZZMNSGSEOIOEZ-HXUWFJFHSA-N 491.535 5.092 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 730943813 KYCGAPNKRFECJG-BTYIYWSLSA-N 499.423 6.110 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)NC1CCN(Cc2ccccc2)CC1 730954886 NFVUULZELQACOC-UHFFFAOYSA-N 478.609 5.662 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CSc1ccc2ccccc2c1 731063760 RTZUNNPTEJNGHJ-QGZVFWFLSA-N 450.585 5.366 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 731064652 XFXBUGLLMXSNSB-GFCCVEGCSA-N 490.425 5.914 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 731073063 SIYRFMUKGTUGOA-LLVKDONJSA-N 491.318 6.059 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 743294451 JOPJZAGEUSCVKX-QHCPKHFHSA-N 491.592 5.389 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cc3ccccc3[nH]2)C1=O)NC1CC1 746694119 POGWYLSUWNJDRD-XMMPIXPASA-N 468.582 5.122 30 20 JKED COc1ccc(-n2c(-c3cc(Cl)ccc3OC)nn(CN(C)C[C@@H](C)C#N)c2=S)cc1Cl 746706190 IOKXUGDRKXVQKG-AWEZNQCLSA-N 492.432 5.443 30 20 JKED O=C(/C=C\c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccc(N2CCOC2=O)cc1 748584643 SZONJTZIGRTJQV-ACADFEMASA-N 459.342 5.411 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCC(F)(F)F 750400312 PGZSWWFDMPWDSN-GOSISDBHSA-N 485.487 5.441 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N([C@H](C)CCc2ccco2)C1=O 750908474 ANYYVKWONNRERA-JPYJTQIMSA-N 461.587 5.036 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(COc2ccccc2C#N)o1 751423464 XUGAZDLFUMDFSQ-YADHBBJMSA-N 479.577 5.124 30 20 JKED COc1ccc(-c2nc(SCC(=O)c3c(-c4ccccc4)[nH]c4ccccc34)nc(O)c2C#N)cc1 824954447 QJNQDHWMJLXYFA-UHFFFAOYSA-N 492.560 5.853 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2COc2ccc(F)cc2)c1)c1ccccc1Cl 839416265 UREKOVUSCRCKJD-UHFFFAOYSA-N 481.940 5.073 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 914551757 LYITWVVRYCXWJE-HXUWFJFHSA-N 498.967 5.043 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2F)o1 915116153 CKDSHYJODSZCDO-NRFANRHFSA-N 487.503 5.208 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1ccc(Br)cc1 915943909 NDZSQBWSIULVGF-UHFFFAOYSA-N 498.402 5.307 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc(Cl)c1C 916205409 IXOOYCYMXWLZQG-NRFANRHFSA-N 490.025 5.044 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(Cl)cc1 916212219 UHFADLCIUPXVMH-KRWDZBQOSA-N 467.900 5.505 30 20 JKED COc1ccc(C=Nn2c(S)nnc2SCc2ccccc2)cc1OCc1ccccc1 916368425 FLENVXMFPBPKJK-UHFFFAOYSA-N 462.600 5.329 30 20 JKED COc1cc(C=Nn2c(S)nnc2SCc2ccccc2)ccc1OC(=O)c1ccccc1F 916368797 OBEKSAIJEPESOM-UHFFFAOYSA-N 494.573 5.108 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916885399 VTSOIOYENXNBEJ-SFHVURJKSA-N 465.296 5.400 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916885995 BLQXUHTZIGKQAA-GOSISDBHSA-N 475.517 5.238 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916898898 FYTNINRBGHAIJE-GOSISDBHSA-N 479.989 5.740 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916905055 LPCNKNVBOFIJOL-SFHVURJKSA-N 479.517 6.310 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 916912382 YZBMAIQSPDCBIT-LJQANCHMSA-N 473.916 5.220 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916915443 DHELDMALGNXOLL-VWLOTQADSA-N 460.489 6.126 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 916925263 KOSKWDUGLMNWMB-GOSISDBHSA-N 485.371 5.085 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 916929789 AQDRBKGMCSBWTF-MRXNPFEDSA-N 474.369 5.785 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 916942821 QLQNFANDUWDJIU-AWEZNQCLSA-N 486.149 5.124 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1 917019069 XLLBVPVPYHAVNF-DDNJPHGJSA-N 477.973 5.131 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)[C@@H]1c1ccc(OC)cc1 917039752 CPBRTXUUZNEQCN-SKPFHBQLSA-N 494.542 5.396 30 20 JKED 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C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(-c4cnco4)c3)n[nH]2)c1 1821187116 FTVYYDDDQWVELQ-HOYKHHGWSA-N 494.555 5.311 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)[nH]n2)c1 1821272122 ZSSRLMYUSOCBRY-VWLOTQADSA-N 494.530 5.102 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)[nH]n2)c1 1821272540 IEIRRHFMMJOFAZ-NRFANRHFSA-N 490.926 5.175 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)c(Cl)c1 1821274275 PUPZWKHSILOZFF-OAQYLSRUSA-N 465.916 5.002 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c1Cl 1821306083 CLNDKESHGCCHCW-QFIPXVFZSA-N 473.964 5.432 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)n[nH]2)C1 1821349159 LOPFSIKCKHWBPW-NRFANRHFSA-N 490.526 5.403 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[nH]n1 1821986889 RDIKDYZCVXKVQD-SCTDSRPQSA-N 462.928 5.070 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)[nH]n1)C(F)(F)F 1821992503 WWIREKMAHBZOKK-NRFANRHFSA-N 485.510 5.053 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1)c1ccc(O)cc1 1822466643 KYOUILJMBIQYBA-JNMBUGSCSA-N 496.558 5.050 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4cccc(F)c4s2)CC3)cc1 1823490662 GWDJVUFWHNMUSZ-KRWDZBQOSA-N 490.585 5.103 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(Br)cccc4c3)CC2)C1 1823700147 HCJRMMRBJVRIGQ-VWLOTQADSA-N 495.461 5.802 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Br)c(Cl)cc3F)CC2)C1 1823702218 WTPPLFSLKSGTPQ-OAQYLSRUSA-N 497.836 5.441 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2Cl)CC1 1823885413 VJWGUIPWMAJUME-FQEVSTJZSA-N 499.961 5.064 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1823886753 OGHVIMFOACNEGM-QPPBQGQZSA-N 495.067 5.411 30 20 JKED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 1827839540 WERBKYURSCPQQI-QFIPXVFZSA-N 475.614 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828254271 QAZGBANLXGKJIH-QHCPKHFHSA-N 467.679 5.830 30 20 JKED C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1828485376 CPRJRJNFXKBDAN-VSDWSMLSSA-N 475.555 5.247 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828508301 UHIMPPUAGOXLBS-ZHRRBRCNSA-N 489.479 5.154 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828512435 CYJPRMVUGKWTIS-XMMPIXPASA-N 471.592 5.672 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828908198 NOWBWTLOVJWJOO-LADGPHEKSA-N 499.797 5.233 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc4c3CCCC4)CC2)c1 1829679690 YIPGSWZSRFHRRK-VWLOTQADSA-N 491.657 5.054 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1829682305 OAOPHDNMXARCNE-VWLOTQADSA-N 493.051 5.304 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1830607804 SFTDCGSGVRNGRK-GDLZYMKVSA-N 494.639 5.513 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)Sc3cccs3)CC2)c1 1830769471 QDRISHRGBZIBBH-CVDCTZTESA-N 481.687 5.342 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831375032 LYPWBDMGSDFJCF-DVECYGJZSA-N 475.658 5.895 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1831446735 HEBVDMPQGPZMSR-IBGZPJMESA-N 483.943 5.001 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1)C(F)(F)F 1831449145 RTFLJVBKDOTYPF-YADHBBJMSA-N 450.545 5.164 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1831577669 OTAMEGTYXHHPBJ-UIBDWSJXSA-N 477.690 5.132 30 20 JKED Cc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832701963 WNSWYWUEUNWZIL-HHHXNRCGSA-N 487.644 5.130 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)CC1 1838313091 DKNQKSBOIHOSHS-QHCPKHFHSA-N 470.679 5.008 30 20 JKED C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 1846779730 AUVANGGIGKWOOA-GOSISDBHSA-N 472.507 5.527 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCCc2ccc(C(F)(F)F)cc2)c(Cl)c1 1847772361 QPYPEASXJTVBGF-VXKWHMMOSA-N 489.925 5.069 30 20 JKED Cc1cc(CSc2ccccc2C(=O)OCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)on1 11344867 HMMUXWKFMUNVGJ-UHFFFAOYSA-N 483.977 5.341 30 20 JKED Cc1cc(C)c(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2cccc(C#N)c2)c(Cl)c1 11549837 UVMOTBKZYKMZIK-XMMPIXPASA-N 473.001 5.397 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 12259583 HEBPXHBEMRDBJB-UHFFFAOYSA-N 483.568 5.427 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c[nH]c3ccccc23)c1 17295451 QAISHHVMBFXPDD-UHFFFAOYSA-N 494.016 5.175 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18521558 MHGVFKKSPBEJQR-HNNXBMFYSA-N 465.600 5.125 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccs2)nc2cc(-c3ccccc3)sc2c1=O 21494605 VDGWOPPZNGHELE-OAHLLOKOSA-N 467.641 5.342 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccc(F)cc1 21996243 IFGPRTNCPILYPN-UHFFFAOYSA-N 469.542 5.264 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(N(C)C)cc2)s1 22730313 MNUCKWTZXHJYRA-UHFFFAOYSA-O 462.567 5.062 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)NCCc2ccc(OC)cc2)cc1 22802003 IOKVMPUDHMDOKG-UHFFFAOYSA-O 475.678 5.614 30 20 JKED Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 28960816 XDIUTXOLYNMICA-NDEPHWFRSA-N 452.602 5.063 30 20 JKED C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1 59795759 PMOQKWDNRZDDTQ-UHFFFAOYSA-N 451.354 5.698 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 72055962 RPMPTJFXWLTHKW-JOCHJYFZSA-N 457.343 5.067 30 20 JKED C=CCN(C(=O)c1ccc(=O)n(-c2ccccc2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 105925643 MXRYCWLKKHSCDV-UHFFFAOYSA-N 483.380 5.496 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1F 195569242 ATADCKCWUWHPBG-LBPRGKRZSA-N 451.354 5.696 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1ccoc1C 255930810 NVUXIQZRSHFSST-UHFFFAOYSA-N 490.429 5.801 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)N1CCCC[C@H]1C)C(C)C 302991333 WHIJOXKQQNTLOK-DYESRHJHSA-N 463.047 5.214 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 303028093 WJIBYZDXPNNOTR-VWLOTQADSA-N 456.615 5.117 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(-n2ccnc2C)c(F)c1 303140331 DLUGPMHVWKBIEY-UHFFFAOYSA-N 469.520 5.401 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](CCCc3ccccc3)c3ccccc3)CC2)c1 409455322 XAFRGGOUOPDGCD-NDEPHWFRSA-N 480.612 5.683 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2cccs2)cc1 409473263 BQAXILOFOZOTLF-AREMUKBSSA-N 486.641 5.893 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 409517037 ALYDXMXBVSCYLR-UHFFFAOYSA-N 477.378 5.016 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CC2)c1 409521143 LTGLNPYOJRVYOU-RUZDIDTESA-N 472.976 5.361 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3NC(=O)Cc3cccs3)c2)cc1 409986725 NUKCSKSKMKVMBD-UHFFFAOYSA-N 453.523 5.846 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1Cl 410312840 WKIXQZVEMVUMLL-HSZRJFAPSA-N 490.966 5.561 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)cc1 486434827 OHBUCNPIUFQWQN-HHHXNRCGSA-N 470.598 5.743 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(Cl)c(Cl)c1 486894254 MFQVXMJHMWZKJS-KRWDZBQOSA-N 488.293 5.402 30 20 JKED COc1ccc(C(C)=O)cc1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487415202 DTLWPEWNEVAPGJ-UHFFFAOYSA-N 473.476 5.017 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2c(F)cccc2F)nnc1-c1ccc(Cl)cc1Cl 497366592 OIJIMKFMNBVMDO-LBPRGKRZSA-N 483.371 5.686 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 498379138 XEUFBFIXMFHGFL-UHFFFAOYSA-N 494.342 5.095 30 20 JKED C=CCOc1ccccc1CN(C(=O)Cc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCO2 500335953 VZHVDAWMUWPEGW-UHFFFAOYSA-N 485.565 5.275 30 20 JKED O=C(C[S@@](=O)Cc1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 501209608 LUMJFGXUQBFZTL-HKBQPEDESA-N 477.348 5.630 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2I)cc1 505009481 SXEQLBQGUVELNT-QHCPKHFHSA-N 484.312 5.140 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 508283141 BZEHIWXIDRKWEC-FQEVSTJZSA-N 476.602 5.454 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 509599347 IOZULYQAXXFRGT-UHFFFAOYSA-N 455.308 5.532 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1Cl 510007779 XEFBOAQCBGIDLH-OFNKIYASSA-N 473.001 6.974 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2cccs2)cc1 512581291 GAAYZIHMAVLOEH-MRDQGFSESA-N 471.630 5.631 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)n2)cc1 514815276 UNJRZMUYKYLEIT-UHFFFAOYSA-N 450.976 5.564 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)N[C@@H]1CCCc2ccccc21 514898124 RIJKXCNMIBLUJZ-JOCHJYFZSA-N 483.037 5.373 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 514978441 ASKNXCJUGCSXCD-UHFFFAOYSA-N 461.978 5.373 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)s2)cs1 516296683 OPQKMACQZDTQRU-UHFFFAOYSA-N 488.594 5.141 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)n2)cc1 516714008 NIFMLKLKGGFUDN-JOCHJYFZSA-N 477.549 5.556 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 518259892 RUMJMWFDJRIDOI-QAPCUYQASA-N 463.525 5.696 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 518653157 URHVNZLYWSBUSX-MRXNPFEDSA-N 476.652 6.483 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 518681643 CSCGPXYHEYKXKO-RTBURBONSA-N 477.630 6.130 30 20 JKED CCOC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(OC)c1 518754103 DBPPMZFTYSVBOP-XMMPIXPASA-N 459.502 5.175 30 20 JKED CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 520912640 RDEWBUPHDBYOHJ-QHCPKHFHSA-N 496.032 5.466 30 20 JKED CCOc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 521119334 YEBDKQOIJGYPGB-MRXNPFEDSA-N 463.921 5.219 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1SC[C@H](C)C#N 521746558 KUFIWVFUEVEHSW-CQSZACIVSA-N 450.377 5.894 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c12 522498073 WPDGZRUMDUZOIW-QGZVFWFLSA-N 499.527 5.417 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 523918548 LCFQUUIQJHDHFO-QHCPKHFHSA-N 457.530 5.201 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 524288781 PNFWINSKPNMMLS-UHFFFAOYSA-N 482.628 5.179 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524390465 MXDUBQLHFZQCNN-UHFFFAOYSA-N 454.505 5.260 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 524406162 KDKBVOHJISNEFI-UHFFFAOYSA-N 489.984 5.682 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 549245057 PPXWCSACEUPGKP-QGZVFWFLSA-N 451.914 5.072 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2cccc(F)c2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596356664 LUWPWXYPKOCDAZ-SFHVURJKSA-N 458.497 5.375 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3c4c(nc5ccccc35)/C(=C/c3ccco3)CC4)CC2)cc1 603460814 RQTXMDCNPXDIFA-LYBHJNIJSA-N 488.591 5.534 30 20 JKED CCOc1ccc2nc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)sc2c1 603465363 PDTYRSVAWKOZOP-UHFFFAOYSA-N 488.594 5.550 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)cn2)c1 603623430 JLDJAWLMOZLYKD-UHFFFAOYSA-N 479.323 6.279 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 603706262 TYXPYQTWWHZEHH-NYHFZMIOSA-N 451.979 5.631 30 20 JKED CCOC(=O)c1sc(N(C(=O)CSc2nc(C)c(C)c(C)c2C#N)c2ccccc2)nc1C 603739229 XSZMQAGPNTZLCL-UHFFFAOYSA-N 480.615 5.277 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 603756079 JIMOOVBKNCXGDU-UHFFFAOYSA-N 483.549 5.280 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604133435 KTQYVZRVIKWRMM-XMMPIXPASA-N 497.986 5.053 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 604135652 QFAMWDTUKHCERV-NOZRDPDXSA-N 459.977 5.838 30 20 JKED C[C@H](c1nc2ccccc2s1)N1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1 604302723 COVLVXVTEOCFFT-OAHLLOKOSA-N 465.529 5.201 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c1 608803413 BWZXYEBIFGKOTE-UHFFFAOYSA-N 456.473 5.378 30 20 JKED N#Cc1cc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)ccc1OCC(F)(F)F 608840517 JFWFNRIFPXYXBW-OAHLLOKOSA-N 489.429 5.100 30 20 JKED C[C@@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)N(CCC#N)c1ccc(F)cc1 608929772 QYDMSAOMMDGIKQ-CYBMUJFWSA-N 462.909 5.019 30 20 JKED CCOCCOc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062295 KXUCLWUQAQDXGZ-UHFFFAOYSA-N 450.922 5.458 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 609072587 SZCNDOBJDCKXTN-QHCPKHFHSA-N 459.933 5.091 30 20 JKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079608 HVCAMGAAGFXHOR-KCWPFWIISA-N 490.003 6.422 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1cccc2ccccc12 609087457 QPSHJAHJBXFFPB-UHFFFAOYSA-N 463.537 5.196 30 20 JKED COc1ccc(-c2cnc(CCC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)o2)cc1 609174681 UDKMPWXOLULFIN-RUZDIDTESA-N 467.525 5.243 30 20 JKED Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609384484 HXLKDLPMDCNTNO-FQEVSTJZSA-N 470.598 5.957 30 20 JKED N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)c1 609400940 HCRLTGQYBDFZKH-UHFFFAOYSA-N 484.737 5.021 30 20 JKED CC(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609404067 RTXXGCXVJXZGDQ-UHFFFAOYSA-N 463.525 5.334 30 20 JKED COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(OC)c1OCc1ccccc1 609428427 NQYOXWFFPHSMQX-SFHVURJKSA-N 462.571 5.929 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 609431126 VMNXBXNRFVHRFI-QGZVFWFLSA-N 483.590 5.103 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(COc4ccc(F)cc4)nc3C)n2)cc1 613314223 CWCKYTCTBWVADT-IBGZPJMESA-N 463.559 6.092 30 20 JKED CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 613391797 BUWFHYQJMZXFHV-QFIPXVFZSA-N 479.627 5.253 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nc(-c2ccccc2)cs1 613392105 IZVOULKUKZADES-LJQANCHMSA-N 479.355 6.235 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc12 613392618 VYHUUXRXTCVZFC-HXUWFJFHSA-N 454.580 6.068 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 726401256 SJFUHYGSAICTOT-HNAYVOBHSA-N 494.444 5.687 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(C#N)c(Cl)c1 726407646 UJZAHUWLMGOGOX-NRFANRHFSA-N 482.993 5.147 30 20 JKED COc1ccc(N2CCC(NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 726696264 RNWAPFCAVFAPLS-UHFFFAOYSA-N 470.573 5.131 30 20 JKED CN(C[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1)C(=O)OC(C)(C)C 728738681 SSVLTGNKTKAAPS-OAQYLSRUSA-N 496.583 5.387 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776969 CXBFGRPAYIMBCX-LUOIHOMFSA-N 499.618 5.048 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2CCCCC#N)cc1 728777526 LAGQYGJTYNOCGC-QHCPKHFHSA-N 473.602 5.336 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3scnc3C)C2=O)cc1 729144636 WNFLTLSLHYABTM-NRFANRHFSA-N 492.626 5.123 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3scnc3C)C2=O)cc1 729146505 RXFWDCYDXGDOBO-NRFANRHFSA-N 494.642 5.319 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCC2)cc1 730461431 OPTBSFOBAYMOCP-QFIPXVFZSA-N 451.592 5.215 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCC2)cc1Cl 730462770 PMVPWRFASMIZNM-IBGZPJMESA-N 461.946 5.001 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)ccc1F 730543695 PDOYQOQZSGCLNG-XMMPIXPASA-N 475.520 5.746 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730942611 SNLCHTDICAJJPQ-CVDCTZTESA-N 488.613 5.429 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc(Cl)c(Cl)c1 730955069 TUKBWPCFZDAIMQ-UHFFFAOYSA-N 450.338 6.827 30 20 JKED CC1CCN(c2ccc(CNC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2)CC1 731014597 BPEXQBXDYTVDEL-UHFFFAOYSA-N 498.652 5.455 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 731060543 XSGGADYGACCWSD-CYBMUJFWSA-N 469.415 5.662 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 731066293 VFVBTKTXGYRNLU-VIIAAUOXSA-N 482.911 5.948 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1ccc(Cl)cc1 731071489 PCRXLWVZVOFTML-OAHLLOKOSA-N 468.966 5.024 30 20 JKED O=C(/C=C/c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 745625712 DWKZGVHILCMIAL-UXBLZVDNSA-N 464.861 5.893 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cc2ccccc2[nH]1 746693786 AVBQLUNYGOQKCK-DEOSSOPVSA-N 479.565 5.200 30 20 JKED C=CCc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc(OC)c1O 747063958 RZZCNSDLAQUMII-WOJGMQOQSA-N 450.947 6.244 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c1 747600144 NUSQLENWOODYAC-FQEVSTJZSA-N 482.606 5.102 30 20 JKED CCCCCCOCc1cccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 749332975 IWNWWNLKDJLOAI-UHFFFAOYSA-N 462.594 5.538 30 20 JKED COc1cc(/C=C2/Oc3ccc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 749744962 CQPZGIKRQBTZBL-SSDVNMTOSA-N 487.405 5.487 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 750706180 RHDMLSSYXPDBNZ-GOSISDBHSA-N 470.529 5.369 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)c3cncs3)c2C#N)C(C)(C)C1 809230408 WMMHDNSZBRXTQA-SNAWJCMRSA-N 495.651 6.020 30 20 JKED CCOC(=O)c1c(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)sc(C)c1-c1ccc(F)cc1 830102386 BRKGEYJIAIHLMI-UHFFFAOYSA-N 481.549 5.200 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)CCc2ccco2)c1 837349377 WSEZEDJMJIGQAO-HXOBKFHXSA-N 495.576 5.409 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1C 837402698 SYEBYVSRHVYQEC-MBSDFSHPSA-N 476.577 5.559 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C[C@H]2CCCO2)C1=O)Nc1cccc2ccccc12 838574728 BHFMZPRXPYHSBK-WZONZLPQSA-N 495.551 5.257 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 915085507 MWPPJRWXXWDFKB-SUOUMBACSA-N 472.508 5.225 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915199831 NMPVYUHOXOZSBX-QHCPKHFHSA-N 451.551 5.932 30 20 JKED CCCCOc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCC 916284311 WUPKIONAZLKLCC-UHFFFAOYSA-N 461.587 5.893 30 20 JKED CCCOc1c(Br)cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)cc1OC 916306033 HYDAUBPQOJBRNE-UHFFFAOYSA-N 467.319 5.030 30 20 JKED Cc1nc(SCC(=O)O[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(C#N)c(C)c1C 916538202 NFJBUTVGWJLBAM-LBPRGKRZSA-N 486.808 5.501 30 20 JKED Cc1ccc(S(=O)(=O)N(CCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)c2ccccc2)cc1 916849149 PYIGKNXVUQXQLQ-DEOSSOPVSA-N 469.566 5.005 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 916914369 ZARXYVFZVQHALZ-LJQANCHMSA-N 453.951 5.208 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2cccc(Cl)c2)n1 916928784 UFYLDSHOXNLXKO-CYBMUJFWSA-N 450.734 5.731 30 20 JKED N#C[C@@H](C(=O)CSCC(=O)N1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995341 FCHQJYCXTZCVSM-HNNXBMFYSA-N 468.431 5.039 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 917047508 ZCTBBVYRNUYVTD-CVEARBPZSA-N 476.783 5.156 30 20 JKED CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)CC2 917558969 BIOGRUPEVGITGN-PTNGSMBKSA-N 483.977 5.507 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccsc2)C1=O 917664346 GUZGWWBNMNQLNB-NRFANRHFSA-N 465.600 5.226 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704641 WFOTTWUPKOMNHX-FQEVSTJZSA-N 478.574 5.228 30 20 JKED COc1ccc(/C=C2\N=C(S[C@H](C#N)Cc3ccccc3)N(c3cccc(OC)c3)C2=O)cc1 917846653 YVEGVEQIIGVELM-GENIAPEFSA-N 469.566 5.316 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1=S 918731742 CBSICWIYZNXUKL-HOTGVXAUSA-N 464.479 5.211 30 20 JKED C=CCc1cc(C(=O)OCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc(OC)c1OC 918922488 SIHXLOMULJEATQ-UHFFFAOYSA-N 486.977 5.584 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 919251074 MSNMTHZREFOKJH-XMMPIXPASA-N 499.398 5.576 30 20 JKED COc1cc(-c2ccccc2)sc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 919459443 FXOQRBGEUKKWES-INIZCTEOSA-N 452.507 5.055 30 20 JKED COc1cc2c(cc1NC(=O)COC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)oc1ccccc12 919637561 OMMNSMFAMPEZFA-SANMLTNESA-N 472.497 5.052 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-])c1ccccn1 919712383 HSTQZUVTFUTCHK-YADARESESA-N 477.524 6.071 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 920113617 IIBSOBVZDLUVEI-BEFAXECRSA-N 480.014 6.617 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccccc4Cl)o3)n2)cc1 920140072 AYKOWSMHUHUTKS-GOSISDBHSA-N 458.930 5.799 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccc(C)s2)cc1 920171601 VTRIPFNHEJQECB-AOMKIAJQSA-N 497.617 5.926 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c(C)c1 920353704 QFKBGDCXOSQTDZ-JOCHJYFZSA-N 497.020 5.722 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)c2ccccc2CC#N)cs1 920516827 KCNVFDAEIOGLEA-UHFFFAOYSA-N 459.449 5.270 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2cn3cc(Cl)ccc3n2)C(=O)c2ccccc2)c(Cl)c1 920756301 YIDPCLYINBDGNR-NDENLUEZSA-N 464.352 6.163 30 20 JKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1 920806131 VNCKTKVLTHBHPW-AWEZNQCLSA-N 479.371 6.209 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 920867895 WVSVIYBCGXOZTF-KUHUBIRLSA-N 497.514 5.087 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCCCC(=O)Nc2c(C)cccc2C)cc1C 920892826 QUAUFRPVXGTNAQ-UHFFFAOYSA-N 458.562 5.273 30 20 JKED Fc1cc(F)cc(Oc2ccc(C=Nn3c(S)nnc3[C@H]3COc4ccccc4O3)cc2)c1 921256769 XMVCGAPIPFLSQA-OAQYLSRUSA-N 466.469 5.032 30 20 JKED COc1cc(/C=C/C(=O)c2sccc2Br)c([N+](=O)[O-])cc1OCC(F)(F)F 921265799 SDKJVDXUTDQMES-NSCUHMNNSA-N 466.231 5.265 30 20 JKED COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCN1C1CCCCC1 1729989382 UGBZKJUYTMMRAN-RXVVDRJESA-N 471.049 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(Br)c4ccccc34)CCO2)C1 1779242442 ZOOHRJSFBOXVBP-SANMLTNESA-N 499.449 5.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C2)C1 1785231711 DZLCBZVGUPWHRG-QFIPXVFZSA-N 473.828 5.083 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](CCC)NC(=O)OCc4ccccc4)cc3)CCC2)C1 1786005447 RVBSTOKTOFAEQO-RUZDIDTESA-N 489.616 5.182 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@@H]3CCCCC3(F)F)cc2)CCC1 1786465989 NLEMLIXRPJZWCQ-CVTTXWKISA-N 472.557 5.447 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)ncc3Cl)cc2)CCC1 1786980655 UVDAFIGJZXPZNR-UHFFFAOYSA-N 494.842 5.164 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CCc3ccsc3)cc2)CCC1 1788186675 LDSRYDIYFVZKQR-PKNBQFBNSA-N 464.612 5.315 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5c(Cl)cncc5s4)cc3)CCC2)CCC1 1788311438 LVPGYGZYSKRBCT-UHFFFAOYSA-N 464.978 5.391 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)cc(C(F)(F)F)c1 1788880975 UGHPKYGYOIMGJB-UHFFFAOYSA-N 487.865 5.885 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(NC(C)=O)c3)CCC2)cc1 1789456220 MCJQSKNFEBAQAV-QHCPKHFHSA-N 475.589 5.170 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccn4cncc34)CCC2)cc1)c1ccccc1 1789600374 JCFGERSBIQPFOH-VWLOTQADSA-N 476.580 5.279 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-n4cccn4)nc3)cc2)CCC1 1789843015 OEPUYBLWLHAFTP-UHFFFAOYSA-N 457.578 5.007 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4csc(C(F)(F)F)n4)CCC3)cc2)c1 1790765051 OOHHQNUBPWCRCV-UHFFFAOYSA-N 488.466 5.234 30 20 JKED C[C@H](Cc1ccncc1)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767783 LLQFTBMMYFGRAM-GOSISDBHSA-N 472.976 5.233 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCS4)CCC3)cc2)cc(C(F)(F)F)c1 1790785634 YMTKGYFVILTGBX-UHFFFAOYSA-N 471.504 5.346 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)cc2)CCC1 1790824544 DFMASQVBMGKLHN-UHFFFAOYSA-N 492.448 5.312 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1791578051 VKBFXWLZDUCQBU-INIZCTEOSA-N 459.571 5.494 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccccc5n4)CCC3)cc2)c1 1792123681 PCOOSKYRYOCSHQ-IBGZPJMESA-N 463.541 5.023 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nc(C(F)(F)F)[nH]c45)CCC3)cc2)CCC1 1792230485 SXAHBZABWGFQGE-UHFFFAOYSA-N 481.478 5.023 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCCCC(=O)OCc2ccccc2)C3)C1 1792504193 SVHIFEAWHHGFRI-OOSCYNTBSA-N 480.649 5.065 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(C(F)(F)F)CC1)c1ccc(F)c(C(F)(F)F)c1 1793925831 VDANYKQDTVCMTH-JWEAOGIISA-N 494.451 5.465 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OC)ccc1NC(=O)OC(C)(C)C)C2 1798339734 BCLZRMDYKJQNEW-IIZPIQPGSA-N 497.636 5.062 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(C)(C)Oc2ccc3ccccc3c2)c1 1799880663 HMJWLIOEUIGXGH-YBJJANMISA-N 495.623 5.576 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccc(F)cc1)C(C)C)c1ccc(O)cc1 1802147686 NQINKSXVSHFXGF-VMQCTCBBSA-N 490.619 5.106 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1803084507 QTYZVFNLLLZIKO-SHQCIBLASA-N 453.586 5.323 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1803088134 HMEJIYZYCYSJCP-YNEIRMAZSA-N 475.658 5.470 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1803561141 SQHNOHYLZCAKKZ-OZXSUGGESA-N 457.659 5.067 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1804174094 DRLSJTYHGBKUJT-KCWPFWIISA-N 487.625 5.113 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)cn1 1804710550 DQTVYBYOXHUBKO-UHFFFAOYSA-N 481.757 5.275 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccccc4N4CCCCC4)CC3)C2)cc1 1804763110 WTPBGERCXCRMBT-UHFFFAOYSA-N 498.671 5.026 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccccc3)CC2)C1 1805454817 ANCQRFNXLSIWPT-UHFFFAOYSA-N 457.618 5.362 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807842975 GWJHAQUDLWNYME-HFASVGIHSA-N 494.639 5.540 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@@H]1c1cccnc1 1809494637 AZLSPHQKEBUCPB-DUZPHZCSSA-N 498.627 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@H]1c1cccnc1 1809625084 KLKVSWPBEABCBX-BYXSNZAUSA-N 463.666 5.462 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(F)c(F)c3)C2)CC1 1810387835 YUZQDDFVXDICLD-IBGZPJMESA-N 467.560 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1810500624 ALELLAXHTISDPS-JKLQHZFJSA-N 479.587 5.449 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1810503114 ODXIZYFNVNQFKF-XXBNENTESA-N 499.011 5.264 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c(OC)c(C)c2)[C@H]1c1cccnc1 1810504511 ZVZHBKUSGJCQNC-UPVQGACJSA-N 463.622 5.019 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3Cl)[C@H]2c2cccnc2)C1 1810960243 SNWNQGWJGGHTQQ-HRAATJIYSA-N 477.914 5.040 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)sc3Cl)[C@@H]2c2cccnc2)cc1 1811105479 REQONPLYWKDJSI-RXVVDRJESA-N 499.423 5.149 30 20 JKED CC[C@H](C)CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811244943 QFMVUJRMGVQNTF-ZSNHWWIQSA-N 479.624 5.237 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813954161 XLABRUQOYXCVRF-WDYNHAJCSA-N 479.624 5.837 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813977338 ITAPFVQUMAZACX-HTZUNMPGSA-N 480.823 5.574 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c1 1814622691 CTIRRTCRNXHKCU-OYHNWAKOSA-N 479.943 5.449 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccccc2C(F)(F)F)n[nH]1 1816908416 BBCWZRBTRHKPNO-NQIIRXRSSA-N 474.527 5.432 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)c1 1817003023 JESBNDZYKPSUNN-MHECFPHRSA-N 490.007 5.629 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3occc3Br)n[nH]2)c1 1818205234 UCYRPQBJTDKZKR-LIRRHRJNSA-N 496.365 5.012 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)[nH]n1 1819309797 HSQPHJUFYTUHPI-UNMCSNQZSA-N 452.624 5.135 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115747 HMWFMQWTXSHGCN-HXUWFJFHSA-N 486.601 5.475 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccccc1Oc1ccccc1 1820437241 BJFWJFOZIHRZDZ-BULNNFJJSA-N 497.555 5.220 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)s1 1821182292 ZFKQBPNTQJUEHL-NRFANRHFSA-N 490.633 5.285 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(N(C)C)c(F)c2)n[nH]1 1821347691 RMLSMWCIHMSVRI-FQEVSTJZSA-N 473.568 5.052 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cccc(Br)c3n2)[nH]n1 1821925181 NJUBYRLBZVEBAC-FOIQADDNSA-N 496.409 5.239 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1)C(F)(F)F 1821993116 OXRDGFJNKRDJGW-GOSISDBHSA-N 497.477 5.371 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2F)[nH]n1 1822393205 PYYPNFHEGQWQAX-SFHVURJKSA-N 495.780 5.074 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1 1822584035 XASXOSZLHJTNTE-QHCPKHFHSA-N 466.651 5.227 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)c2ccccc12 1823604436 LPHSDWTXKXMBHL-ULPGGUMISA-N 497.599 5.208 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)C2=CCCS2)CC1 1824570040 YKLFOABIXHAKGA-HHHXNRCGSA-N 484.665 5.341 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825405264 ROSDFAHFZFUHEF-HSZRJFAPSA-N 489.683 5.304 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1826374450 XWODXNGTNBNWQK-DFHRPNOPSA-N 487.644 5.188 30 20 JKED CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827680071 GRVOONFEYYHARI-SILAICFJSA-N 478.658 5.301 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1827727037 QVEAETSWNLLEDO-SANMLTNESA-N 492.664 5.311 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1)C(F)(F)F 1827736760 YUJJTPMHOBLERN-FQEVSTJZSA-N 494.941 5.952 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1)C(F)(F)F 1828498651 MIBANTOIQGJXFI-QFIPXVFZSA-N 493.957 5.548 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1828827814 VWERWIGWNPDPHJ-UPVQGACJSA-N 473.057 5.740 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1828828917 AECAFAPLLMRSKO-RXVVDRJESA-N 464.984 5.620 30 20 JKED COc1cccc(-c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)c[nH]2)c1 1830012488 KQHFFDFUJWFEGU-NDEPHWFRSA-N 496.611 5.109 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1830839216 XATFOCUWRNUWHJ-UGKGYDQZSA-N 469.029 5.218 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831296904 LCWJRULTUDXOJH-ZEQRLZLVSA-N 476.583 5.636 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307257 TUVRFDLTCTWGCJ-JPYJTQIMSA-N 496.479 5.347 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3ccccc3)n2)CC1)C(F)(F)F 1831451400 UFDVUXXNNRXAJB-HSZRJFAPSA-N 471.523 5.100 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1831842078 IMDOFZUNURBWNS-OPAMFIHVSA-N 489.479 5.154 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1831849708 CDXKUAAKFDSZLC-RUZDIDTESA-N 495.461 5.639 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1832629088 ISTRSNNEURHRPQ-NXROFTPSSA-N 494.639 5.742 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)cc1Cl 1832785060 FBMPVFLBPXHSEU-QFIPXVFZSA-N 472.029 5.054 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1834458318 AEIZYPGDAXGTNL-YIXXDRMTSA-N 481.725 5.380 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CC1 1835684134 KCFRPMQUBJLHGA-IBGZPJMESA-N 496.454 5.086 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC34CN(C(=O)CCCC#C[Si](C)(C)C)C4)sc2c1 1845673485 XOBWXEYRBWIZGU-UHFFFAOYSA-N 452.696 5.078 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)c1C#N 10711905 DKNWEHZEVMQXIR-UHFFFAOYSA-N 492.626 5.668 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10837015 KGJKJMNXCGTQRQ-UHFFFAOYSA-O 485.460 5.887 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(C)c2)c1 11113709 RWMWWOFZAWYKQA-UHFFFAOYSA-O 457.591 6.265 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)n(C2CCCC2)c1C 12254841 BRGIVCFYWVVSNW-UHFFFAOYSA-N 492.649 6.179 30 20 JKED COc1ccc(Cl)cc1-c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)[nH]1 16797554 AXIUDOKOJYDEDV-GFCCVEGCSA-N 488.038 5.455 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 17451698 NYLHWYPHVFBIMC-UHFFFAOYSA-N 490.581 5.197 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nc2sccc2c1=O 18328362 BQNRIKAQKLAANS-NSHDSACASA-N 468.585 5.055 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1 21127342 BSWSDQQJGDAABN-LBPRGKRZSA-N 478.361 5.465 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3cccs3)no2)nnc1-c1ccc(Br)cc1 26040565 PUVPPVLTRYBWLV-LBPRGKRZSA-N 474.409 5.858 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)cc1 28649327 RERSKDSTKCYJFT-UHFFFAOYSA-O 475.634 5.656 30 20 JKED CCN(CCC#N)Cn1nc(CSc2nc3ccccc3s2)n(-c2ccccc2)c1=S 60159896 GUTWDEUGHUEANY-UHFFFAOYSA-N 466.661 5.498 30 20 JKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 68722290 GQPDYJZDLFEYKR-ZDUSSCGKSA-N 492.407 5.002 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3sccc23)cc1Cl 97547272 YYBJQSLAIOKGBJ-IRLDBZIGSA-N 473.989 5.608 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)c2ccccc21 104469843 SFHOVZSPUCYPBZ-UHFFFAOYSA-N 483.622 5.898 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 109923859 PMZUVHPRFAIRST-RUZDIDTESA-N 479.502 5.047 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccccc1F 215696161 XPXSITWVANRPCF-UHFFFAOYSA-N 491.617 5.688 30 20 JKED O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NCC#Cc1cccc(C(F)(F)F)c1 218779805 SPWKNVCZUDDZII-QFIPXVFZSA-N 499.558 5.008 30 20 JKED CN(C(=O)CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)C1(C#N)CCCCC1 302991597 JNLNQXZFXXJNIT-UHFFFAOYSA-N 458.484 5.054 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 409780710 AYUQZUBDDZRGNA-IBGZPJMESA-N 494.638 5.440 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)c2)cc1 409933383 RBDJRQWSLHKQMG-UHFFFAOYSA-N 450.376 5.672 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)cc2F)c1 481012532 KTHDMFOIMDQURY-DEOSSOPVSA-N 477.923 5.136 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nc2cc(Cl)ccc2c1=O 486422286 LEOYFWSTNKYIMI-HNNXBMFYSA-N 469.994 5.194 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4ccccc4c(O)n3)s2)c(C(F)(F)F)c1 487288777 IWYHYGLTAQRARI-UHFFFAOYSA-N 454.433 5.130 30 20 JKED COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc(OC)c1OC 489483504 PVPSUIDVKKIAID-RCCKNPSSSA-N 497.595 5.513 30 20 JKED CCOC(=O)c1c(NC(=O)c2sccc2C#N)sc(C(=O)Nc2ccc(C)cc2C)c1C 497979511 CYZPHEOQYXDMGS-UHFFFAOYSA-N 467.572 5.288 30 20 JKED CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 498008944 WULPTVHBWUYDNS-UGKGYDQZSA-N 452.986 5.156 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 502713684 BIHDSWWYVNEOHQ-HNNXBMFYSA-N 491.809 5.953 30 20 JKED C=CCn1c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nnc1-c1ccc(F)cc1 504215989 NWCRWFCHMUPSFQ-UHFFFAOYSA-N 493.633 5.378 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 505192315 YUORIQWCDXKABE-UHFFFAOYSA-N 473.573 5.481 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1Cl 510046909 ZWLGQFBBAITCOC-XMMPIXPASA-N 479.024 5.642 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 512859210 AXBBOVYIQXPIJR-UHFFFAOYSA-N 480.307 5.317 30 20 JKED COC[C@@H](C)n1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnc1-c1ccccc1 513737576 FBSLUBBVAPWWTP-LJQANCHMSA-N 499.596 5.547 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)c2)c1 515448116 YABJLMZBSCRYGS-UHFFFAOYSA-N 478.483 5.454 30 20 JKED COc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OCc1cscn1 515676297 DAOOENFXMPGNAB-UHFFFAOYSA-N 484.537 5.107 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(CCc3ccccc3)Cc3cccnc3)c2)c1 516078080 BVKMICJNPQAADU-UHFFFAOYSA-N 475.552 5.482 30 20 JKED COc1cc(-c2noc(CCC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)cc(Cl)c1OC 517457292 KKOAVJQPLKTELJ-CQSZACIVSA-N 486.981 5.230 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2Cl)cc1 518145983 NJHVJOSQYRZIMZ-UHFFFAOYSA-N 487.943 5.064 30 20 JKED COc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c([N+](=O)[O-])c1 518147346 KEDOKPCOTARSCT-LBPRGKRZSA-N 468.457 5.067 30 20 JKED N#C[C@H](C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc(-c2c(F)cccc2F)cs1 518870511 AYTFXWYNWJCJRJ-LLVKDONJSA-N 475.402 5.178 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCC(=O)NC1(C#N)CCCCC1 518909664 WAWUBPRDXTUKPL-UHFFFAOYSA-N 458.484 5.021 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 520103496 PXPGFBOIVPYPDN-VWLOTQADSA-N 492.044 5.307 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)c3ccccc3Oc3ccc(Cl)cc3Cl)CC2)c1 520483315 FLJLCRDBULJSMA-UHFFFAOYSA-N 453.329 5.015 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F 521701520 COXPNYMWJZUFQC-UHFFFAOYSA-N 487.482 5.314 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)c1C 521769067 MIDMQTXVBLHUAZ-NRFANRHFSA-N 488.396 5.406 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cn2c1 521800973 VHYPVIFNVUJNDW-UHFFFAOYSA-N 489.535 5.841 30 20 JKED Cn1c([C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c2ccccc2)nc2ccccc21 522328612 PQBUEPPKVHZWLX-QHCPKHFHSA-N 462.475 5.032 30 20 JKED C=C(C)CN(CC)C(=O)Nc1ccc(C)c(NC(=O)c2ccccc2I)c1 524660288 WRICTVLVVQCERZ-UHFFFAOYSA-N 477.346 5.282 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2)cs1 591589268 CGYCTLHGILNXAG-UHFFFAOYSA-N 495.680 6.012 30 20 JKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603756797 AZSDVQGVLBEECQ-UHFFFAOYSA-N 491.564 5.820 30 20 JKED CCCCOc1cccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 604138665 XMOOLIUBQNEJAV-XMMPIXPASA-N 475.976 5.429 30 20 JKED C=C(C)COc1cccc(NC(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)c1 608965722 BSJMCORCUIQWKJ-FQEVSTJZSA-N 467.418 5.439 30 20 JKED N#Cc1cc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)ccc1OCC(F)(F)F 608993819 APMFNZCWLUZZBO-FQEVSTJZSA-N 492.885 5.133 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccnc(OC2CCCC2)c1 609078059 BEYARXXTFJKACW-UHFFFAOYSA-N 456.546 5.484 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1O 609079573 GSSMMZPVMLFKRY-UHFFFAOYSA-N 451.910 5.169 30 20 JKED C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(NC(=O)c2ccccc2)c1 609082898 CKVRIXYGCJXIHD-OAHLLOKOSA-N 450.445 5.295 30 20 JKED O=C(NCc1ccc(OCC(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642692786 DAMFIQJWOKCVAY-VXGBXAGGSA-N 466.344 5.336 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C#N)c(Cl)c2)c(C)s1 726408759 IAPAWTHPXNOEOV-RNODOKPDSA-N 487.050 5.251 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 726420155 HKFMIJJBDBLWIM-QGBHTJAESA-N 498.586 5.148 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCOC(C)(C)C)c1cccs1 726422773 YSABSSPCEIHZJT-OLKASRBJSA-N 477.627 5.092 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)c1 728776508 CKNATBUJJWWXSJ-DEOSSOPVSA-N 486.597 5.503 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 729562510 YBPNXVJYNAKJBL-XUZZJYLKSA-N 490.604 5.994 30 20 JKED Cc1oc(NC(=O)COC(=O)c2sc3cc(Br)ccc3c2Cl)c(C#N)c1C 729869640 AFAMGCWNWZZVGO-UHFFFAOYSA-N 467.728 5.194 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 729888058 BRQPEHBCNXFWJW-MJGOQNOKSA-N 490.387 5.687 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(Br)ccc2c1Cl 729889869 UOXDULMWMCLLIA-LBPRGKRZSA-N 463.740 5.287 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2CC)N(C[C@H]2CCCO2)C1=O 730525449 QREFBEQGGINPTG-YKSBVNFPSA-N 495.645 5.177 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 730858883 XDOTULHXFCBXON-CQSZACIVSA-N 464.465 5.182 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943533 FJRILHWAMVOKGD-MHECFPHRSA-N 488.613 5.374 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)c(F)c2)s1 731306665 BEQVTIFBQRGEAN-OAQYLSRUSA-N 483.590 5.370 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)ccc1OC(F)F 744765724 HDTHAIJPSNLANS-UHFFFAOYSA-N 476.549 5.460 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 746778072 BWDHXMYNOIJRRO-UHFFFAOYSA-N 450.539 5.220 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cscn2)cc1 747598266 ADGPTPHPWXJFEJ-LJQANCHMSA-N 488.997 5.405 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 750396600 BSIRKPNEGVAISH-WBVHZDCISA-N 488.794 5.193 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(Cl)c2Cl)n(Cc2ccc(F)cc2)c1C 758022539 YJESGVKUGNKFFA-UHFFFAOYSA-N 474.319 5.266 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](C)c2ccccn2)C1=O 837517547 KNXMJYBHBOTFGM-JTSKRJEESA-N 479.005 5.765 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 837526101 YPWSFAJXAJLPCK-IERDGZPVSA-N 464.978 5.457 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCCCO2)ccc1Cl 857828625 DNUZLQZRWLLMHT-KRWDZBQOSA-N 484.401 5.101 30 20 JKED COCO[C@H](C)c1cc(F)c(CNc2ccc(OC(C)C)c(C#N)c2)cc1Br 864038875 CLTXJCGYHRBLCM-CQSZACIVSA-N 451.336 5.541 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N3CCCSC3=Nc3ccccc3)nc(O)c2c1C 871595891 XQYIZAIOOZMDNT-OAHLLOKOSA-N 472.661 5.289 30 20 JKED CCc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2c(SC)nnc(C(C)(C)C)c2=O)cc1 912832203 YYGAMKNMSHUFLM-UHFFFAOYSA-N 486.645 5.014 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cl)s2)C1=O 914547620 YPAPURJTZMQEMY-IBGZPJMESA-N 486.018 5.571 30 20 JKED C[C@@H]1Oc2ccccc2N(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O 915103164 QAJGQIJAJCQARK-SWLSCSKDSA-N 472.353 5.107 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 915180715 RGGVPYGMKFFLSX-WUFINQPMSA-N 490.563 5.873 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=S)Nc3cccc(Br)c3)c2)cc1 916025956 QVDSQBZUGOHNSO-UHFFFAOYSA-N 452.377 5.903 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCc2ccccn2)C1=O)Nc1cccc2ccccc12 916205834 MIKPZTZUSLWOKF-VWLOTQADSA-N 498.583 5.577 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916916180 PILZSFUJQADILZ-JOCHJYFZSA-N 482.540 5.708 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1Cl 916939813 TXSPCMNPFNHPTP-OAHLLOKOSA-N 460.342 5.395 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccccc1 916946221 NUVDGYYMSISNPH-HXUWFJFHSA-N 466.324 5.515 30 20 JKED C[C@@H](NC(=O)OCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997074 QCSNEZZIOKEKEV-CXAGYDPISA-N 474.369 5.608 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044284 SFWUHOFLLZMBNK-SJORKVTESA-N 491.560 5.352 30 20 JKED C=CCN(C(=O)CN1CCC[C@H](c2cc[nH]n2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 917174798 YYFSWDPYJLHIKL-INIZCTEOSA-N 476.433 5.239 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 917429935 ABHKDIPUYAWKGA-SFHVURJKSA-N 461.591 5.254 30 20 JKED COCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917560187 ITXHGCMQPHYTDW-KPKJPENVSA-N 456.951 5.402 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OCCCC(=O)O)cc2)cs1 917562717 IUGDPIMGXOJUJG-JYRVWZFOSA-N 468.506 5.107 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OCCCC(=O)O)cc2)cs1 917562718 IUGDPIMGXOJUJG-MDWZMJQESA-N 468.506 5.107 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccccc1C#N 917703869 CQMZRLWKXKOWAZ-JOCHJYFZSA-N 464.591 5.107 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(OCCCC#N)c3)ccc2Cl)cc1 918331878 WCTXXGGYZSPXDR-UHFFFAOYSA-N 499.976 5.084 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3oc(=O)ccc3c2)nnc1-c1ccc(Cl)cc1Cl 918670541 RVLKMRSKZCVGFQ-UHFFFAOYSA-N 487.368 5.275 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(Br)cc2)o1)C(=O)N(CCC#N)c1ccccc1 919407551 AYPNVFXRBRPDPK-QGZVFWFLSA-N 497.345 5.113 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 920104486 VITOEYMVNWSMKN-QFIPXVFZSA-N 475.504 5.609 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2cc(Cl)ccc2s1 920112525 DNHOFQAUTKZVHJ-OLZOCXBDSA-N 464.761 5.486 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 920139826 YYWCIKFPEGNGCQ-PKOBYXMFSA-N 478.549 5.078 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc(-c2c(F)cccc2F)cs1 920805097 GYRLPJAJPUZROM-STQMWFEESA-N 492.334 5.624 30 20 JKED CCCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920805538 DGANCTKXAOJGQC-KRWDZBQOSA-N 454.498 5.716 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920807014 VQQFMWZLVLAFST-LRDDRELGSA-N 457.527 5.404 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 920868816 MBALYCLQJGIHQU-DJJJIMSYSA-N 498.407 5.375 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@H](C)S)C4)cc2)cc1 1780859228 FPMNYSLLGCOGKR-LHKSUUPMSA-N 494.701 5.142 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)C1 1782115273 YUDXREDABKMWMY-BXTSTYNKSA-N 499.095 5.434 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(NC(C)=O)ccc4Cl)CCC3)cc2)C1 1785809126 SVCRAOVYXJJZLV-UHFFFAOYSA-N 451.954 5.012 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)cc1 1785880585 GUNOWFLGOUUYPZ-UHFFFAOYSA-N 451.517 5.060 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)c(F)cc3F)CCC2)cc1 1785937677 QJMZWDZJTLIYTJ-UHFFFAOYSA-N 476.321 5.025 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1787616981 RFHGMJCLBBJJGD-HSZRJFAPSA-N 483.653 5.560 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789074395 BFBHETFMSUQQRL-INIZCTEOSA-N 451.954 5.160 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789074766 PXZUNAOJTOAELC-UHFFFAOYSA-N 465.981 5.552 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccn5ccnc5c4)cc3)CCC2)cc1C#N 1789306440 GECLTFMOJLPMSH-UHFFFAOYSA-N 493.567 5.055 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c(C)n1 1789968180 SZNNOOQQAFGWCN-GOSISDBHSA-N 452.558 5.387 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccccc3)cc2)CCC1)NC(=O)OC(C)(C)C 1790215991 FXXOYKUHFXLSHD-HSZRJFAPSA-N 477.605 5.294 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CC[C@H]4CNc5ccccc5C4)CCC3)cc2)c1 1790255939 GJQGAPGLBJFBMK-JOCHJYFZSA-N 478.596 5.371 30 20 JKED CC(C)COc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)ccn1 1790707027 BLMJOHUJMQPAIZ-UHFFFAOYSA-N 482.584 5.244 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OCC4CC4)c3)cc2)CCC1)C(F)(F)F 1790740347 WSFDNWPRASWOSN-UHFFFAOYSA-N 488.506 5.350 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)CCC2)cc1)C(F)(F)F 1791302786 KNQRFGYCULNLNW-UHFFFAOYSA-N 463.406 5.312 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3scnc3C)CCC2)cc1)c1ccc(O)cc1 1791646407 LOXRCHZTVRRKFE-HXUWFJFHSA-N 473.598 5.102 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3csc(C)n3)CCC2)cc1)c1ccc(O)cc1 1791646409 LSQCJJPCLQDEMG-HXUWFJFHSA-N 473.598 5.102 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(cnn5C)c4)CCC3)cc2)c1 1792123898 TZGBWFNVXIGIOO-IBGZPJMESA-N 477.568 5.262 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1792477815 PEUKOAUOVIBWQW-SFIUMABJSA-N 478.036 5.222 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 1800687631 OYQHKYQNQBFTHY-XARGGIHNSA-N 484.427 5.557 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)cnc2s1 1801160042 GGKQOEZAWJFXPG-BCDXTJNWSA-N 490.467 5.303 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncc(Cl)cc2Cl)[C@H]1c1cccnc1 1802365921 SLJFTHZORTVDNT-LAUBAEHRSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1802499077 FRFFEYALMVUUIJ-CVDCTZTESA-N 499.011 5.264 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1803453706 GGJAJGIDBXEFEF-RBISFHTESA-N 494.620 5.024 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4CCC[C@H]5CCCC[C@@H]54)CC3)C2)cc1 1804759505 ZKSUBROHUONURM-KWXIBIRDSA-N 475.677 5.329 30 20 JKED CC(C)c1csc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)n1 1804793394 QCTQDCVYJHOROG-QPPBQGQZSA-N 496.753 5.032 30 20 JKED Cc1occc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1805621186 NEVSXFLDLQWSQN-XRKRLSELSA-N 489.575 5.016 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3OCCc4ccccc43)C2)CC1)c1ccccc1 1805904879 DFCIAFJSXVNLRU-VMPREFPWSA-N 498.667 5.119 30 20 JKED O=C(CCCC(F)(F)F)N1CCCC2(CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)C1 1806547241 IFXIOFYKQACGCM-UHFFFAOYSA-N 482.440 5.422 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(C(F)(F)F)cc4)C3)CC2)c1 1809277809 UQCVXYWTGNPDNZ-HXUWFJFHSA-N 497.561 5.420 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810107960 PBIHOKKVMVPCIS-DWLFOUALSA-N 471.692 5.322 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1810173753 BHFBRUQVHVDOPN-HFASVGIHSA-N 482.628 5.037 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810273336 USXLYLUNXROYBP-RCZVLFRGSA-N 482.100 5.106 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1811303519 JAMSGCHUJJVWLZ-FQRUVTKNSA-N 470.598 5.187 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1812451800 ZADICLRJVYBNEN-QFQXNSOFSA-N 486.443 5.221 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1)C(F)(F)F 1812678537 FZBUKHGJCXNXEI-ZJSXRUAMSA-N 497.492 5.326 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@H]1c1cccnc1 1813014276 RYIHGQDNYHNIFI-GREBRCKQSA-N 485.550 5.050 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814380548 PLBRQJOOHBJLJN-YEXLONIWSA-N 499.640 5.521 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)[nH]n2)C1 1814395458 VOBCFMLKVONBOS-QGZVFWFLSA-N 454.983 5.550 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)[nH]n1 1814439876 BYPAUXSOGNNVAH-DEOSSOPVSA-N 494.636 5.456 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(N(C)C)c(F)c2)[nH]n1 1814444234 ZGKKDQJIXRWBSA-FQEVSTJZSA-N 473.568 5.052 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1815243395 JRQNBVVQVBLZKS-LPHOPBHVSA-N 460.600 5.024 30 20 JKED Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1C 1815633812 WMSFJJUCSHUKQU-NLFFAJNJSA-N 469.589 5.202 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1815653683 MQRZQUVJFIUEFZ-OAQYLSRUSA-N 484.025 5.145 30 20 JKED CC(C)CN(CC(C)C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC#N)n[nH]1)c1ccccc1 1817123840 DBPDXKZRADOZHG-RPLLCQBOSA-N 492.668 5.061 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(C)snc3s2)n[nH]1 1817829782 FKJXCFLQFYBBID-QAPCUYQASA-N 469.636 5.464 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)CCCC3=O)n[nH]1 1818691629 KZGZREZQVJRAKV-NFBKMPQASA-N 460.578 5.003 30 20 JKED Cn1ccc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)c21 1818725709 OOVQICHDLKYGMU-QFIPXVFZSA-N 486.963 5.046 30 20 JKED COc1ccc2oc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)cc2c1 1819004095 PRBZLHCOWPCRCN-SBUREZEXSA-N 497.555 5.411 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820088968 FHRZOYWLYMFBBI-JOCHJYFZSA-N 483.572 5.446 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1820971128 YOEORTQBMHLXAI-OXQOHEQNSA-N 497.983 5.430 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821089391 GXPCHYYMZIPBSE-MRXNPFEDSA-N 490.860 5.599 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[nH]n1 1822392627 WLQHYKKZBRTMSE-XMMPIXPASA-N 480.572 5.062 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1822575913 FPECNTVILMQPQT-QHCPKHFHSA-N 461.541 5.043 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)cc1 1823685880 ICWADHXBSSQNMP-NDEPHWFRSA-N 469.629 5.302 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1823916103 PXCGTCPFDOGLRA-XMMPIXPASA-N 467.972 5.206 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823978258 YBZHTTNBPLXAKJ-LAUBAEHRSA-N 452.973 5.275 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc(Cl)c2)CC1 1823981465 CFOQOSYWMOFTNZ-DNQXCXABSA-N 459.030 5.107 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824209014 OJGGXGXXKAYEGM-JOCHJYFZSA-N 491.717 5.292 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CC2)CC1)c1ccc(Cl)cc1 1824246272 HKHBKZBBJFEIKX-GOTSBHOMSA-N 456.030 5.003 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1824960905 AAOMMRYQQOYUCW-QHCPKHFHSA-N 458.668 5.016 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cnc1C 1825394390 PKLKJMVHWDXCHI-DEOSSOPVSA-N 498.549 5.136 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)c1Cl 1826504391 NGQBHMGCZOHLJW-QHCPKHFHSA-N 484.427 5.341 30 20 JKED COc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)cc2ccccc2c1Cl 1826683144 BYQUWDRZEASAQI-QFIPXVFZSA-N 480.008 5.039 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 1826684025 YXLZQHSXXRQQLL-RUZDIDTESA-N 457.574 5.016 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1828503022 WXANSLIXOSWJRZ-DEOSSOPVSA-N 498.465 5.357 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1828889286 LBMVATKSSSVZLI-RTWAWAEBSA-N 481.464 5.108 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829496520 VJPRHESWIZLFGO-DEOSSOPVSA-N 467.560 5.193 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CCC1 1829562543 DBRJQCYBOYIBJY-SANMLTNESA-N 494.639 5.533 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1Cl 1829689649 KUZYJYVVSRRJHN-QFIPXVFZSA-N 470.400 5.412 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CCC1 1830540282 PIXDRHSBCYDRPS-FQEVSTJZSA-N 481.946 5.286 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)cc1 1830632515 PNYGAGIGMGSDHK-MHZLTWQESA-N 455.602 5.177 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1830718122 ALFUIWBKLQIWLK-DEOSSOPVSA-N 492.982 5.379 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830755889 ODQFVGJHEGRKKK-DEOSSOPVSA-N 483.534 5.433 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1832030580 UEFBQAKUNDABAV-NDEPHWFRSA-N 499.655 5.366 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3C(C)(C)C)CC2)c1 1832630040 FDPXYXASBAXYLA-HFZDXXHNSA-N 486.660 5.553 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(NC(C)=O)c2)CC1)c1ccccc1 1832653964 UPLGYTQQVVCAKL-URLMMPGGSA-N 499.655 5.076 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1)c1ccccc1 1837435967 VOPPGXPZXSXJHB-HSZRJFAPSA-N 499.076 5.211 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)CC1 1838767227 YIKZPCIDOFALND-WXFUMESZSA-N 493.692 5.532 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1Cl)N1CC2(CCCN2C(=O)c2cc(F)cc(F)c2F)C1 1846831418 OEDWCQGPECZSAI-UHFFFAOYSA-N 494.794 5.046 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@H](C)C#N)c3)C2)c1Cl 1846832885 BVGRIKLXRXBRDS-OAHLLOKOSA-N 456.373 5.060 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@@H](C)C(=O)Nc1ccccc1C#N 10303297 QNIZUGFCLBEZLR-INIZCTEOSA-N 484.025 5.863 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2F)cc1 11170692 YOSCINAVTNKKFJ-UHFFFAOYSA-O 457.541 6.346 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 11247160 CBDHEINKKOKNNV-UHFFFAOYSA-O 471.577 5.764 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)cc1 11760279 NXVWIKMSIBBETD-UHFFFAOYSA-N 471.513 5.040 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3sc4ccccc4n23)n(C2CCCCC2)c1C 16628429 LJPVDWBFOSJADI-UHFFFAOYSA-N 464.620 5.470 30 20 JKED C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16753347 KRZKAWQQYMBXPN-CYBMUJFWSA-N 463.588 5.539 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(Br)cc1 16832669 SLBZOGGLFNHNDD-OAHLLOKOSA-N 487.423 5.330 30 20 JKED O=C(C[C@@H]1S/C(=N/c2cccc(Br)c2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 16938562 QCKMPSRTEZMHNP-FQEVSTJZSA-N 496.386 5.489 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17183285 AGEWJBNHQXIVRN-MRXNPFEDSA-N 498.630 5.326 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2scc(-c3ccccc3)c2c1=O 20788651 GDRFQVRQYBZXLY-UHFFFAOYSA-N 469.538 5.320 30 20 JKED CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCC#N)n2C(C)(C)CC(C)(C)C)c1 21087132 CNNXVNXZBORSLC-UHFFFAOYSA-N 477.700 5.153 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(COc3ccccc3Cl)n2C)c1 23530552 LIVWWZWJAXXUPJ-GOSISDBHSA-N 484.025 5.092 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C(C)C)cc1 23585784 RNBCCRQCVBXQPP-KRWDZBQOSA-N 469.010 5.367 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 23602008 QOBXLTBLXSAKCB-QGZVFWFLSA-N 464.566 5.078 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)s2)cc1 29062604 QZZBLHMJCXYMQB-UHFFFAOYSA-N 481.990 5.582 30 20 JKED CCOc1ccccc1-c1nnc(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)o1 29441147 BSBDMANLIICDDC-UHFFFAOYSA-N 456.955 5.136 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nc(C)c(C)c(C)c1C#N)CC2 29894885 MTNLZUYSDAJRFJ-MHZLTWQESA-N 487.625 5.162 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)/C(O)=N/c1nnc(Cc2ccccc2)s1 36802670 LFGVFIGNRZBRAD-UHFFFAOYSA-N 485.491 5.421 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)nc2ccccc21 60352993 VNTNWWOWAMVZNU-SANMLTNESA-N 450.542 5.484 30 20 JKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 303062674 VBEFAJBKHCMNTR-FQEVSTJZSA-N 469.610 6.117 30 20 JKED C=CCc1cc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc(OC)c1OC 303235068 WXRSTXPNWGAZRU-UHFFFAOYSA-N 467.569 5.274 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(NC(=O)c4ccsc4)CC3)cc2Cl)c1 303235295 ZDIUDDUBNQHMRP-UHFFFAOYSA-N 495.004 5.278 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4ccccc4)[nH]n3)s2)c(C(F)(F)F)c1 487451601 UBBWRDPKMYOGEL-UHFFFAOYSA-N 453.449 5.267 30 20 JKED COc1cccc(/C=C\c2cc(C(=O)N3CCC(C#N)CC3)c3cc(Br)ccc3n2)c1 490847030 BGQNJIVHOPNXAX-ALCCZGGFSA-N 476.374 5.552 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc(-n4cnc5ccccc54)cc3)s2)cc1 490988940 NKJJDNGJSJGKLS-UHFFFAOYSA-N 497.609 5.363 30 20 JKED CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2C#N)nnc1-c1ccc(Cl)cc1 500994788 HRBSZWDESGOPER-UHFFFAOYSA-N 477.977 5.409 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)c2)cc1 501459510 ARYUFNPYIPJQTL-QHCPKHFHSA-N 487.987 5.476 30 20 JKED Cc1cc(Sc2nnc(COc3ccccc3Cl)n2C)n2c(nc3ccccc32)c1C#N 502109886 YSBKMEPYJQXNTB-UHFFFAOYSA-N 460.950 5.180 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(C)[C@@H](C)CC#N)nnc1-c1ccc(Cl)cc1Cl 505155823 ZONVVKKJKFMLFB-HNNXBMFYSA-N 474.417 5.402 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OC 513167484 WJGCBMZDQAQQES-CYBMUJFWSA-N 457.246 5.150 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513214949 QNELRBAWAJXFPK-NRFANRHFSA-N 476.458 5.511 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)CC1 515512874 UNTZHORGXHPBJA-OLCXKCHLSA-N 474.564 5.337 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(F)cc1 515972956 NDLHKCKFSBUIEK-DEOSSOPVSA-N 459.521 5.118 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1Cl 518548339 YUHJOIMNZIYBAF-UGKGYDQZSA-N 480.351 5.227 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccccc3S[C@H](C)CC#N)c2C)cc1Cl 518740269 RXPDJPWCPOJPDY-MRXNPFEDSA-N 453.011 6.026 30 20 JKED N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(COCC(F)(F)C(F)F)c3)cc2)c1 518741787 KPYCDABGXPUGRJ-UHFFFAOYSA-N 494.466 5.568 30 20 JKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 522451788 GNAQTIBENQNZNH-UHFFFAOYSA-N 457.530 5.045 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)n1 523230081 NNYGKQPFKJXTMU-KRWDZBQOSA-N 480.542 5.987 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1 524563128 BOGACNSSAXZBDZ-DLBZAZTESA-N 478.643 5.495 30 20 JKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 551097061 ZQLRPUCKFAPOQJ-UHFFFAOYSA-N 466.610 5.707 30 20 JKED CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603766900 ZCKVKTKARIJCFY-OAQYLSRUSA-N 452.963 5.431 30 20 JKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 604554734 SVGDUZJINSWNHC-QFIPXVFZSA-N 480.612 5.779 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)cc1Cl 604566630 LFZCVZINZIAWLS-SFHVURJKSA-N 482.853 5.242 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 608797415 KGNUQHXZLZUVOY-UHFFFAOYSA-N 462.509 5.010 30 20 JKED N#C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1ccc(OCc2ccccc2)cc1 609173283 NUOWSILYICGXHM-OAQYLSRUSA-N 458.543 5.081 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)c2C#N)C1 609563141 TXMDCDVQPVUUOV-QGZVFWFLSA-N 457.599 5.389 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)c1 613403851 VVUCATOMJHGBDZ-HXUWFJFHSA-N 491.956 5.466 30 20 JKED O=C(NCC1(c2c(F)cccc2F)CCCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 623677431 LVCZUSSLOSWNGX-STQMWFEESA-N 458.393 5.549 30 20 JKED CC(C)c1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(CO)c2)cc1 726570849 MBLPJQUWNKMMGM-UHFFFAOYSA-O 464.998 5.438 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)c(Cl)c1 726892612 VWHWTNBXXNHXMK-QFIPXVFZSA-N 498.004 5.109 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C#N)cc2)cc1F 728424627 FOAOCPUOKHNBFQ-DEOSSOPVSA-N 497.555 5.038 30 20 JKED N#CC(CCOC(=O)[C@H]1CCCN1c1ncnc2sccc12)(c1ccccc1)c1ccccc1 728669585 AXGMIBNSJRIXRV-HSZRJFAPSA-N 468.582 5.103 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1 728675485 IXFPXUZWHRLYFA-UHFFFAOYSA-N 457.964 5.188 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 728766891 OQGPGFLJQGQNKM-GOSISDBHSA-N 460.361 5.217 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)cc1 728779100 GYUNNWGSRXLTNI-NRFANRHFSA-N 452.555 5.042 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 729144098 BEPUHJGCOSEWER-SFHVURJKSA-N 488.997 5.405 30 20 JKED CC(C)(C)CN(CCC#N)Cn1nc(-c2ccccc2)n(Cc2ccc3c(c2)OCO3)c1=S 729467921 IREYCZZNYHRTLF-UHFFFAOYSA-N 463.607 5.077 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 729570746 ZXKVMPINSLXIKS-FQEVSTJZSA-N 499.011 5.559 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ncccc3C)C2=O)c1 729633931 HROUZXGPQAFLEQ-XMMPIXPASA-N 488.613 5.176 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F 730484935 YACXAAVDBMLRRD-VXGBXAGGSA-N 458.374 5.376 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=Nn2c(S)nnc2-c2ccc(F)cc2)cs1 730548551 JVDCOBAIKCCAFJ-UHFFFAOYSA-N 466.567 5.013 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)nc2ccccc21 730684668 BEFBUXRIBOXOCS-GAJHUEQPSA-N 478.321 5.471 30 20 JKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731074184 KGUHVDOTMWOXPB-KGLIPLIRSA-N 483.442 6.050 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)cc2)cc1 731305595 NHMAGAQWAHARHK-HSZRJFAPSA-N 493.560 5.091 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(F)c(C)c1 731309692 URGJUKAPAGIVRG-HSZRJFAPSA-N 493.560 5.009 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 747317704 UWFKMPLTZBIDHF-IZLXSDGUSA-N 495.529 5.659 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CCN(c2ccccc2C#N)CC1 747336187 BKVFRIXUDWNGMN-UHFFFAOYSA-N 461.569 5.118 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)cc1 749339107 ZDKADTITYOTCMF-FOIQADDNSA-N 454.452 5.366 30 20 JKED CC[C@@H](C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccc2c(c1)CCCC2 749889085 IBDZXKCBPZDCHJ-GOSISDBHSA-O 466.671 5.249 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccs2)C1=O 838535825 UDBWGZDVGUJBAR-FQEVSTJZSA-N 487.553 5.195 30 20 JKED C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 855252945 UFOMHDJZOHFILP-LURJTMIESA-N 481.349 5.153 30 20 JKED CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1 904595119 AODDBLREUNDPSF-UHFFFAOYSA-N 462.893 5.099 30 20 JKED C=CCn1c(=S)sc2c(=O)n(Cc3csc(-c4ccc(Br)cc4)n3)cnc21 913600883 OXLWWAQTODUBRY-UHFFFAOYSA-N 477.434 5.109 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 914549688 GLYQRGLYSDSGIJ-NTKDMRAZSA-N 472.614 5.043 30 20 JKED FC(F)(F)Oc1ccc(NC(=S)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 914707751 ZOEMTGVNVWBRLX-IUCAKERBSA-N 454.358 5.781 30 20 JKED O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914785957 IJZGEICLWWDYCM-BRPSZJMVSA-N 488.328 5.210 30 20 JKED N#C[C@@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc(-c2ccccc2)cs1 915101782 IIIZKGQJGRFLNW-NRFANRHFSA-N 464.550 5.615 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)NC2CC2)cc1 915683791 HLMZARBKWBUHNR-IQGLISFBSA-N 453.546 5.509 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)S1 915848565 ZIGNJSTXBNRODX-ZSOIEALJSA-N 482.197 5.426 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C2/S/C(=N/C3CCCC3)NC2=O)c1 915856922 DDBZVVILNUTBHP-OEAKJJBVSA-N 474.586 5.059 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccco3)C2=O)c1 916210797 JHHNXIOVFUGVJC-QHCPKHFHSA-N 493.585 5.074 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)cc1OC 916213001 WCQDKHQBQZTRIB-DEOSSOPVSA-N 489.597 5.173 30 20 JKED COc1cccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1OC(F)F 916272855 LLFMZZDJKRDSOO-UHFFFAOYSA-N 475.904 5.579 30 20 JKED CCOc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc(Br)c1O 916283632 LFUWMUQCOZYMIM-UHFFFAOYSA-N 484.375 5.182 30 20 JKED N#CCCn1cc(C=NNc2ncnc3scc(-c4ccc(F)cc4)c23)c(-c2ccccc2)n1 916367038 QQCJPJHCZNCTKM-UHFFFAOYSA-N 467.533 5.721 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc2ccccc2n1 916849228 UAUBRWXQTCGVBN-PXDATVDWSA-N 453.929 5.626 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)cs1 916888107 UUDPNGLEJPULKH-LJQANCHMSA-N 473.526 5.306 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916903122 LFHMJHKUCARWCR-OAQYLSRUSA-N 481.474 5.979 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C2SCCCS2)cc1 916905793 PRLHSVZFQXZZCQ-NRFANRHFSA-N 474.607 6.309 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916910558 SZJLHITWFGSDQT-XMMPIXPASA-N 490.519 6.084 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc(C3CC3)nc21 916928181 VSESJFOOQLEIDL-OAHLLOKOSA-N 456.333 5.158 30 20 JKED C=CCn1c(SC[C@@H](O)c2cc(OC)ccc2OC)nc2scc(-c3cccs3)c2c1=O 916976632 VMZHSLUOPHEGAM-QGZVFWFLSA-N 486.640 5.215 30 20 JKED CC(C)(C)c1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)cc1 917612700 CJBGBFOZOATTLT-UHFFFAOYSA-O 468.646 6.345 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 917683356 WXMXRSXOJCAKPB-SFHVURJKSA-N 480.417 5.299 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CC(F)(F)F)C2=O)cc1Cl 917704169 GLSDNSNMINDIQK-KRWDZBQOSA-N 480.899 5.043 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 918401042 FETOKFPBDVOCTB-RUZDIDTESA-N 462.553 5.168 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 919251264 ZWFFDEFGXJLTMO-UHFFFAOYSA-N 462.497 5.232 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCc2cccc3cccnc23)cs1 920373909 NFVHJPQQYXGNLK-UHFFFAOYSA-N 469.492 5.518 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 920478699 PUAZUVHKQNTFNB-JPYJTQIMSA-N 499.567 5.196 30 20 JKED CCC1CC(=O)C(=CNc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)C(=O)C1 920975896 KFLFCISXDWLYFW-UHFFFAOYSA-N 467.374 5.048 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1 926103702 VXBZWITYQYERQA-MRXNPFEDSA-N 453.951 5.264 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1 1786591229 GUNZDZYDNYMCJY-WKULSOCRSA-N 475.511 5.201 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCCC4(F)F)cc3)CCC2)c1 1789163273 GGQIIVSNWJLBIW-RUZDIDTESA-N 485.506 5.232 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(Br)ccc5[nH]4)cc3)CCC2)C1 1789224524 JTFPZIMNSYUMFX-UHFFFAOYSA-N 478.390 5.644 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(F)(F)F)nc4ccccc34)cc2)CCC1 1789369978 UQGFLFXXNFJQMZ-KRWDZBQOSA-N 495.501 5.040 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](CCNC(=O)OC(C)(C)C)c3ccccc3)cc2)CCC1 1789438270 HLRDYBJPCSNGAS-XMMPIXPASA-N 491.632 5.395 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1789451583 MHGGJRODCTXMKL-GOTSBHOMSA-N 481.637 5.192 30 20 JKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1)N1CSCSC1 1789580834 BESVBQCRYXRTBK-OALUTQOASA-N 494.686 5.104 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790256018 PISGUAOGGTUZDC-UHFFFAOYSA-N 467.447 5.540 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)ccc5[nH]4)CCC3)cc2)c(C#N)c1 1790473084 RJFCFPIXVADFOX-UHFFFAOYSA-N 496.542 5.178 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c(C#N)c1 1790475054 ZRDILFWIGZZVRC-HXUWFJFHSA-N 492.579 5.184 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3Cl)CCC2)cc1 1790511048 JWWIJHIVYJSCSU-UHFFFAOYSA-N 475.372 5.251 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CC4CCC4)CCC3)cc2)ccc1Br 1790746616 JDULGQXAAVAQKZ-UHFFFAOYSA-N 466.379 5.259 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5ccccc45)CCC3)cc2)c1 1790764090 SXCFAUCRXNNEGO-UHFFFAOYSA-N 464.500 5.307 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)cn1 1790785499 PZLWYAHNWLPRDI-UHFFFAOYSA-N 494.473 5.042 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5cc(C)cc(C#N)c5)cc4)CCC3)cc2c1 1790795966 JVMZTXLCAISFKU-UHFFFAOYSA-N 479.536 5.683 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3csc(C(F)(F)F)n3)CCC2)cc1 1791300485 KHLJZZFFFVAIRJ-UHFFFAOYSA-N 459.440 5.121 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnccc3C)CCC2)cc1)c1ccc(O)cc1 1791646367 QIJKZBSRLAGVIJ-JOCHJYFZSA-N 467.569 5.041 30 20 JKED COc1cc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1792073651 JQGRIVSLICBFKM-VAWYXSNFSA-N 478.545 5.083 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)n2)[C@H]1c1cccnc1 1802495290 JNANWOXUMNPRGS-UTKZUKDTSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)[C@H]1c1cccnc1 1802501767 CAFCLWSUVVZNOD-AHWVRZQESA-N 475.633 5.182 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OCc3ccccc3)c(OC)cc1C)C2 1802631396 VROBOXBSNDHJMS-QEIWAGNOSA-N 488.628 5.028 30 20 JKED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1802995527 SPXMRANALPUNQV-VPFBHQOVSA-N 489.660 5.125 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(Cl)c(OC(C)C)c(Cl)c4)CC3)C2)C1 1804785856 XXHFCCUCNZZYFP-UHFFFAOYSA-N 479.448 5.592 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(C)cc3)C2)CC1 1810349729 FMERDGWZRJXUMC-RUZDIDTESA-N 471.645 5.670 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810408276 DGEIWVBJOMLYQM-SYRGALACSA-N 491.708 5.143 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C2(C(C)C)CCC2)[C@@H]1c1cccnc1)c1ccccc1 1810447857 PWDPQOCIGQWSBL-KWXIBIRDSA-N 471.645 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1810494105 CSOPZXVAFKWKCE-MBSDFSHPSA-N 497.064 5.657 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1810502673 KIFDRICRAWEQFU-OPBMBUAESA-N 453.671 5.686 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc4occ(Cl)c4c3)[C@@H]2c2cccnc2)cc1 1811359613 CXEZHMVUSWFTDI-BKMJKUGQSA-N 498.970 5.181 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1811696187 YZUVMGKTHHVSNS-FIPFOOKPSA-N 483.637 5.107 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811753138 UNNNKQLUVRUMCE-CYFREDJKSA-N 493.394 5.202 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1)C(F)(F)F 1812678530 FZBUKHGJCXNXEI-URXFXBBRSA-N 497.492 5.326 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1812903459 IFZRCAXPQRYQRA-ACYIZFCASA-N 479.024 5.143 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1813048732 RXVHRXWKMSGLLC-FDDCHVKYSA-N 466.006 5.073 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813971122 WKKFTESYVQBDQY-MBSDFSHPSA-N 490.406 5.616 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1813988402 MKGWYYQEVGLKCL-SQHAQQRYSA-N 491.607 5.098 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)[nH]n1 1814442020 LHMQTIBKWURKMF-KRWDZBQOSA-N 451.493 5.055 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1814830844 JCLHYCFZQCUCOB-QHCPKHFHSA-N 475.593 5.143 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1)c1ccc(O)cc1 1815022424 DMRHKFNPLFOORH-NFBKMPQASA-N 498.574 5.130 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)[nH]n1 1819303093 CPUBOOWQCCHUHB-TZIWHRDSSA-N 489.542 5.217 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)[nH]n1 1819305432 JBEKXSVMRKYRDK-GBXCKJPGSA-N 473.577 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)[nH]n1 1819556180 XLDGRBLMQAFOAL-HXUWFJFHSA-N 468.598 5.034 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](c3ccccc3)C(C)C)[nH]n2)c1 1820206759 ZPUIWUJENQMKJN-RSXGOPAZSA-N 485.588 5.036 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)[nH]c2c(Cl)cccc12 1820485397 JWDKDTFSGIBXBA-NRFANRHFSA-N 486.963 5.344 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)c1 1820485677 VOSHRFFSWDFBHT-HXUWFJFHSA-N 473.533 5.255 30 20 JKED CC(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1 1820592540 UBGOEQGFLALQKE-XMMPIXPASA-N 455.562 5.219 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1 1820910174 CXAJXSJZFLHYCM-FPOVZHCZSA-N 487.645 5.008 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(F)c(C#N)c3)n[nH]2)cc1 1820913936 HGFXSJAKVXKABK-DEOSSOPVSA-N 473.552 5.092 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 1821086205 FABWTEIATGWNNQ-LJQANCHMSA-N 464.463 5.067 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)cc1 1821183316 VNUGLEUTLVSIKW-HXUWFJFHSA-N 483.906 5.027 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)ccc(F)c1F 1821280454 SQIPWIYEUNUYLD-FQEVSTJZSA-N 483.906 5.141 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(F)cc3)n[nH]2)c1Cl 1822219882 AQVLFTIYNUQTNC-OAQYLSRUSA-N 479.943 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2c[nH]c3ccc(F)cc23)n[nH]1 1822259059 QYAYPGTZZHKOJF-XMMPIXPASA-N 477.584 5.423 30 20 JKED CSc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1822598226 RADIBHNQIKNIEC-OAQYLSRUSA-N 494.020 5.205 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823215872 IKBIALOGNNIUMM-UUOWRZLLSA-N 487.629 5.307 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cc(Cl)ccn23)CC1 1823752623 IQRLGZAYYCTJRT-OAQYLSRUSA-N 471.045 5.213 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1824878442 BJEHKFWXWPGMON-RUZDIDTESA-N 481.999 5.135 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCC4)CC2)c1 1824986681 OCYBUVNQDLYEAB-ZTOMLWHTSA-N 483.656 5.278 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)CC1 1825996668 QVCMFIDHZQFBLR-HXUWFJFHSA-N 465.560 5.326 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)cc1 1828415374 OSLAOZZLHPVLMW-OZXSUGGESA-N 489.582 5.028 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1)c1cccs1 1828550579 BKBUJUHDQIBAGS-IPLHWJFFSA-N 498.695 5.697 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 1828906241 BMNYRLVJQFXQBG-HSZRJFAPSA-N 483.754 5.514 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)cc1 1829234473 OLLCFRTUBNARKC-QFIPXVFZSA-N 485.415 5.002 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829521419 WHHQFKMCGKWVRZ-XMMPIXPASA-N 467.560 5.193 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c(C(F)(F)F)o1 1829954765 CRLCFSDJDGIZKT-OAQYLSRUSA-N 473.495 5.026 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)cc3F)CC2)cc1 1830011484 RDKRHUYJCUSXPI-QHCPKHFHSA-N 498.396 5.007 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)CC1 1830685447 LEPOYIUEJFPVRE-UPVQGACJSA-N 498.465 5.322 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(C)noc3-c3ccccc3)CC2)c1 1830768219 NAPASXARWHQHHY-AREMUKBSSA-N 496.611 5.377 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)CC1)c1ccccc1 1830821866 BDSMLGIPQYPBPL-SXOMAYOGSA-N 497.643 5.108 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1)c1cccs1 1830909408 MUPQCFGRUPKOIJ-HYGBKTPJSA-N 476.598 5.167 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1 1831041359 DMHPJVXRIXKPEZ-HSZRJFAPSA-N 489.641 5.213 30 20 JKED CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1831389145 IHCCKNNGZLESRE-OAQYLSRUSA-N 463.544 5.247 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)c3ccc(O)cc3)CC2)c1 1832633695 MTDIEIKOOMGGKU-LGVUCKNBSA-N 473.617 5.056 30 20 JKED COc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1832634186 PFWQEWVQPMWLPV-JIPXPUAJSA-N 487.644 5.107 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(Cl)c1 1832663119 BPWPKYMYOXIXLL-SIBVEZHUSA-N 494.035 5.523 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)CC1 1833076523 QKXLGOBTEZACGB-DNRSQYFGSA-N 471.730 5.157 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)c3cccs3)CC2)CC1)c1ccccc1 1838417562 FKAYWPLHVCJKDG-NVQXNPDNSA-N 492.685 5.047 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C2 1844201493 DJAGCTIVCJGPSX-NRFANRHFSA-N 483.534 5.353 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1c[nH]c3nc(-c4ccccc4)ccc13)C2 1844356695 DYBTYQBHXZIUSI-UHFFFAOYSA-N 456.590 5.039 30 20 JKED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)CCCCCC(C)(C)C)C1)NC(=O)OC(C)(C)C 1846087627 UNVYTONMCJTZTN-OAQYLSRUSA-N 477.690 5.046 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 9330923 WHSWWPFOZGDWDA-KRWDZBQOSA-N 457.534 5.123 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2cccc3ccccc23)cc1 11126392 HRZOGTGHOYPTSO-UHFFFAOYSA-O 467.658 7.038 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1C 11160985 KMUJKDHZVWHATL-UHFFFAOYSA-O 453.578 6.218 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c1 11260818 BXOFTUOTXJSBDC-UHFFFAOYSA-O 453.534 5.191 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)nnc1-c1cccc(C)c1 11450593 XRUDTMXODHKKLL-QHCPKHFHSA-N 450.608 5.054 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ccc3c(c2)OCCCO3)n(Cc2ccc(F)cc2)c1C 24416014 XZMSQYDRAWDGBK-UHFFFAOYSA-N 465.550 5.056 30 20 JKED C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1 26262668 XLXCNCBKCCSQSE-CYBMUJFWSA-N 464.538 5.171 30 20 JKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1[C@H]1COc2ccccc2O1 30547346 FINFTNVNFIPDNN-OAQYLSRUSA-N 478.599 5.401 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32290871 OHSJSTAXDBJXPG-UHFFFAOYSA-N 453.498 5.573 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nnc1-c1ccccc1 39221736 ODNCLLHRVDKQOH-UHFFFAOYSA-N 461.616 5.370 30 20 JKED C=CCn1c(SCCCc2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccccc1OC 45795369 PICANGNTGWXYQA-UHFFFAOYSA-N 465.554 5.362 30 20 JKED CCN(C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)[C@@H](C)c1ccc(C#N)cc1 105904721 LDKNSVIOWGUHOY-FQEVSTJZSA-N 451.574 6.083 30 20 JKED CSc1nnc(CCCNC(=O)c2ccccc2Sc2ccccc2C#N)n1C1CCCC1 247526486 NHLWJMQNQNMLHY-UHFFFAOYSA-N 477.659 5.501 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 303184305 LHGBOUGRLAWYEN-UHFFFAOYSA-N 484.506 5.651 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nncc4ccccc34)c2C#N)C1 485170917 XLPYFQRZTAZBON-INIZCTEOSA-N 450.633 5.835 30 20 JKED Cc1nc(SCC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C#N)c(C)c1C 491218247 PGUWQIANUZCWBD-GOSISDBHSA-N 476.577 5.239 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1C 499466668 IIIQBXJZFBQWKA-UHFFFAOYSA-N 478.618 5.046 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c2)cc1 509904612 JWXYJWULSJSOMW-QHCPKHFHSA-N 468.557 5.214 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1Cl 510024338 RNLINOUWZXQBNC-NRFANRHFSA-N 462.937 5.015 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 511006356 ZUQUWFRTEBHRGB-OAQYLSRUSA-N 496.995 5.124 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 512856270 MEFNFAQWWHPONT-KCWPFWIISA-N 453.542 5.076 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1Cl 513148917 SIQBCPZKGNPDHV-KRWDZBQOSA-N 460.839 5.831 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513174925 ANSBZNBAPUSERC-OAHLLOKOSA-N 451.857 5.588 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 513847499 MDJFUNCCSIOWRL-UHFFFAOYSA-N 493.017 5.329 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)cc1 514049165 KUEQPCVOHXXKQJ-UHFFFAOYSA-N 474.590 5.609 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 514190121 NMSZSWBIPAZEQA-DEOSSOPVSA-N 462.594 5.308 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nnc1-c1ccoc1C 515599671 WDBDJPLNDZZAGW-UHFFFAOYSA-N 469.567 5.605 30 20 JKED Cc1sc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c(C#N)c1C 516462222 PMWZBCBMLGFCMD-UHFFFAOYSA-N 454.349 5.504 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)c(C)c1Cl 516713893 MKELOFMFPGKZKS-HXUWFJFHSA-N 457.946 5.628 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)O[C@H](C)C2 517417124 BWYIFSMPVPXXHR-PDXHDDNESA-N 474.586 5.005 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] 518146794 IYUJHRLSYHZZFV-UHFFFAOYSA-N 487.560 5.084 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc2c(s1)CCCC2 518171283 QJJMYARHKWGZRV-UHFFFAOYSA-N 465.644 5.878 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)cc2)c1 518252842 IAUDQKLWAANCDL-UHFFFAOYSA-N 478.911 5.133 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 518666486 AYFWXXJAISWWGM-NSHDSACASA-N 472.876 5.712 30 20 JKED CN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cccc(C#N)c1 518708363 QVYCTLBJHWAESV-UHFFFAOYSA-N 459.962 5.214 30 20 JKED CCn1c(SCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)nnc1-c1ccc(Cl)cc1 518709294 RSCYQRCNDGMGKJ-FQEVSTJZSA-N 468.026 5.389 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2cc(Cl)ccc2c1=O 519414517 LNAKIRGYZODULI-OAHLLOKOSA-N 485.034 5.218 30 20 JKED C[C@@H](Sc1ncccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)N1CCCC1 519507620 CKISJILRJWQSAA-GOSISDBHSA-N 472.570 5.101 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2cc(Br)ccc2F)cc1 519944161 QGKPRJLHSOWUMH-UHFFFAOYSA-N 482.353 5.597 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 520196321 UGEGXQDCHZZDKJ-UHFFFAOYSA-N 473.539 5.493 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccc2Br)n1 520814601 FZUAQMQDZMURAT-CYBMUJFWSA-N 488.436 5.217 30 20 JKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524138596 XXKRMMMOYIDLKR-UHFFFAOYSA-N 460.408 5.027 30 20 JKED Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc(C)c1OCc1cccnc1 603764268 JXVGRWADBCCNDG-UHFFFAOYSA-N 450.498 5.589 30 20 JKED CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 603766689 TZQZCUOJCKYZQI-JOCHJYFZSA-N 452.963 5.430 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1Cl 603828985 CYTRDANCCMMDJJ-AREMUKBSSA-N 499.014 6.084 30 20 JKED CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1 603908175 KSCDVLXHXPSNKN-SFHVURJKSA-N 486.572 5.098 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)cc1 604095987 ZFPRDXIAZNJGGC-UHFFFAOYSA-N 489.981 5.023 30 20 JKED CCCc1ccc(-c2cc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n[nH]2)cc1 604104692 HLWSLALTENTAOZ-UHFFFAOYSA-N 470.533 5.004 30 20 JKED COc1cc([C@H](C)NC(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1OCc1ccccc1 604130167 SBQLOXNWAOEAGR-QFIPXVFZSA-N 484.600 5.129 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(Br)cc1 604133379 WRZMVGFTEOKTOM-AWEZNQCLSA-N 498.764 5.582 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604230512 CDHCTRAVUIPBQW-UHFFFAOYSA-N 470.508 5.371 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 608878392 VIPVBDHRKRPVIK-JOCHJYFZSA-N 461.949 5.499 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc(-c3cccs3)nc21 609066697 QKJDZMFCCOJGJY-UHFFFAOYSA-N 453.474 5.466 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 609078461 RVCHRXOMSUJNIH-AREMUKBSSA-N 468.601 5.479 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609163388 KAFDVWQIDKZPNJ-ISKFKSNPSA-N 478.017 5.486 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 609377662 BVWACRPKNDDZDP-AWEZNQCLSA-N 473.429 6.229 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 609437073 OMEHTPKURFPDJA-CVDCTZTESA-N 476.671 6.063 30 20 JKED O=C(NCCOc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612804774 VZWFEXAOAQZRQY-RYUDHWBXSA-N 466.344 5.293 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(CN4C(=O)c5ccccc5C4=O)c3)n2)cc1 612941772 SXHLRCHRQQZAFA-HSZRJFAPSA-N 477.545 5.405 30 20 JKED C=CCn1c(SCc2csc(-c3cnn(C)c3)n2)nc2sc3c(c2c1=O)CCCCC3 613806169 IPDREXHLJYRAIZ-UHFFFAOYSA-N 469.661 5.062 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 615080547 IAQVXNOLQKOSBQ-UHFFFAOYSA-N 493.401 5.467 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)nnc1-c1ccccc1OC 617996354 QHJACPDJEOYSJR-RTBURBONSA-N 476.646 5.377 30 20 JKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 620002318 OJLGUUHWYUMQJD-DRZSPHRISA-N 466.344 5.461 30 20 JKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 622477736 JGJFQMVUWLVCFQ-KRWDZBQOSA-N 497.842 5.919 30 20 JKED CCc1c(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 642161609 ULQWKOKZOSOALK-IMRBUKKESA-N 451.386 5.213 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 642393328 ZEAPQPLSIWMOHL-INIZCTEOSA-N 460.353 5.508 30 20 JKED C=CCN(C(=O)c1cc2ccc(F)cc2nc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 669690526 BAXHMBSLILDWTP-UHFFFAOYSA-N 481.574 5.042 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccc2)cn1 726110210 GNSDQBKPRRVRNV-XMMPIXPASA-N 483.597 5.217 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)CCc2ccco2)cn1 726116972 OUIRECSIHFBHOL-WMZHIEFXSA-N 493.633 5.094 30 20 JKED Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 726232032 BGAZCETWISAJOB-UHFFFAOYSA-N 451.573 5.116 30 20 JKED CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1OCC 726428522 NLTYCDBLBFTYDS-CLFYSBASSA-N 476.367 5.500 30 20 JKED COc1cc(CN(C)C(=S)Nc2ccc(C#N)c(Cl)c2)ccc1OCc1ccccc1 726442663 BMRUABFGJNBOFZ-UHFFFAOYSA-N 451.979 5.628 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccc(C)cc2)cc1F 726575387 GUOAETUOUOSILM-UHFFFAOYSA-O 480.585 5.160 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2cccc(C)c2)ccc1Cl 727090348 JOHVBGCILFSSQY-UHFFFAOYSA-N 454.979 5.306 30 20 JKED COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062792 UEQBRAKWUJEASN-MRXNPFEDSA-N 492.963 5.197 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(N4CCCCC4)cc3)cc2F)c1 728202199 VWTJREMWFJCNSY-UHFFFAOYSA-N 458.537 5.317 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)N3N=C(c4ccco4)C[C@H]3c3ccco3)c2)cc1 728668084 KTUOIOKPHWFVPM-QHCPKHFHSA-N 481.464 5.071 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2scnc2C)C1=O 729146780 YDSPSDSZRPOEGZ-OAQYLSRUSA-N 494.642 5.237 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730459107 GXPDHHHMETXYIY-JOCHJYFZSA-N 497.542 6.371 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc(SC(F)F)cc1 730488779 QDBDIWSGEYSASR-FQEVSTJZSA-N 498.580 5.557 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cocn2)C1=O 730712276 DWZYTMMNZSHMMY-HSZRJFAPSA-N 492.601 5.241 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2Cl)s1 730715002 JCIKLKYKNZJPHV-KBXCAEBGSA-N 486.022 5.221 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1Cl 730717190 GUMLJNFHVYMGAR-KRWDZBQOSA-N 493.347 5.281 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 730994680 LRBLGPJYALEDMZ-HXUWFJFHSA-N 459.493 5.614 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(C3SCCS3)c2)c1 744289201 ZWXKQYTWQMEOHR-UHFFFAOYSA-N 491.663 6.020 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 745277492 PBEGSIVTCSUGEV-HHHXNRCGSA-N 477.612 5.635 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cc(C)cc1Cl 745989132 LWSIZPSJBPTOIY-IBGZPJMESA-N 477.989 5.093 30 20 JKED Cc1cc(C)n(-c2nnc(S)n2N=Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 745989722 YKWQYFYEIOEPDO-UHFFFAOYSA-N 458.469 5.063 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 746697153 ADZDCGGEUFOLLB-IBGZPJMESA-N 491.560 5.063 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 746697984 RFABBAZBJOVZAB-IBGZPJMESA-N 459.999 5.115 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cscn3)C2=O)cc1 747600762 CXLJKEDRRXALQC-QFIPXVFZSA-N 492.626 5.123 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(SC)c(OC)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 747614907 PJHQVOMUHLZGEZ-GQCTYLIASA-N 457.426 5.171 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(SC)c(OC)c2)c([N+](=O)[O-])cc1OCC(F)(F)F 747614909 PJHQVOMUHLZGEZ-XQRVVYSFSA-N 457.426 5.171 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1F)c1nc2cc(Cl)ccc2s1 748010479 QRQJWWVPSFHCBL-ZDUSSCGKSA-N 469.788 5.961 30 20 JKED C[C@@H](SCc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 750290924 FENXXGJZDFFZCG-ZCFIWIBFSA-N 463.777 6.315 30 20 JKED CCOc1c(OC)cc(/C=C2/SC(=NN=C(C)c3cccc4ccccc34)NC2=O)cc1OC 750894309 VTHGYPZQYOEKCU-PYDUDBHFSA-N 475.570 5.240 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)s1 800692022 KNKHTUXIZRRFBN-UHFFFAOYSA-N 474.007 5.174 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3ccccc3Oc3ccc(C)cc3)nc(O)c2C#N)cc1 824964430 WVFBGOJCIQDNDE-UHFFFAOYSA-N 498.564 5.561 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccco1 838496139 OGPSRJNLYFBPDC-HXUWFJFHSA-N 469.950 5.102 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1cccnc1 838521004 XLQCNGHLPKFHGU-QRQCRPRQSA-N 496.539 5.090 30 20 JKED C=CCCn1cc(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)nn1 904669529 ARWUDOBNYXSCJY-UHFFFAOYSA-N 462.819 5.431 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc(C)c2)C1=O 912771814 PRLLDZPYXORLKI-QHCPKHFHSA-N 459.571 5.164 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914598629 PENDOXPEVSDSOW-RUZDIDTESA-N 487.625 5.177 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)c1 914690906 IUDVUUOUHPWRIW-KSFYIVLOSA-N 481.549 5.019 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 915281693 TXDUNPVMHPAJTH-UHFFFAOYSA-N 452.869 5.529 30 20 JKED COc1cc(C=Nn2c(S)nnc2SCc2ccccc2)ccc1OC(=O)c1cccs1 916368944 WVJIAWZPVRLPHM-UHFFFAOYSA-N 482.612 5.031 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccnc2OC)c1 916395426 OUIOTCZKHIGPNM-UHFFFAOYSA-N 492.384 5.031 30 20 JKED FC(F)(F)c1nnc(S)n1N=Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 916544888 WNGTTXDSTYVVGG-UHFFFAOYSA-N 462.888 5.033 30 20 JKED COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OCc1ccccc1 916546404 PCXIOSDPBYFPFK-UHFFFAOYSA-N 464.978 5.694 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)cc1 916913429 QNKICKBRJFBJOF-OAQYLSRUSA-N 491.389 5.037 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C2SCCCS2)cc1 916944667 KOOQRVQOVDZIAV-QGZVFWFLSA-N 451.400 5.823 30 20 JKED CSc1cccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c1 916976123 KKUHDTCMXKWGQF-KXBFYZLASA-N 468.003 5.415 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2F)C[C@@H](C)O1 917250758 HZSBFFJMDGUQLX-RTBURBONSA-N 475.589 5.856 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 917427428 WLPMHPSMJWYNOT-CQSZACIVSA-N 490.343 5.716 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 917665404 YUIDRIHLSNKATQ-QFIPXVFZSA-N 492.532 5.203 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1)c1ccccc1 917769684 LBJFTDJQMGEPLQ-UHFFFAOYSA-N 452.514 5.098 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2nc(N3CCCCC3)sc12)C(C)C 917791638 UDYDQIYHPNMQKI-UHFFFAOYSA-N 480.634 5.402 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)C(=O)Nc4ccc([C@@H](C#N)c5ccccc5)cc4)CC3)c2c1 918443797 HHORBVHLVDKVGT-SANMLTNESA-N 490.563 5.086 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918608495 JWYCURILPMNKFD-SLMZUGIISA-N 498.674 5.097 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cs1 919637052 GMJIJZUZJRGPMK-DEOSSOPVSA-N 477.586 5.409 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 920009134 DXWIAOILQULXHG-UHFFFAOYSA-N 489.443 5.286 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 920108759 JKVOYJXNWDKFJP-BBRMVZONSA-N 474.369 5.618 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3c(C)noc3C)C2=O)c1 920354150 ZLWMLVGHAKQHHX-QHCPKHFHSA-N 476.602 5.377 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)cs2)cc1 920363251 VZJXIIUWYLEVFU-UHFFFAOYSA-N 472.595 5.660 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805227 BABHRUOSIYTUCT-VQIMIIECSA-N 485.581 5.125 30 20 JKED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806801 QAFQRYATWGTLNK-VQIMIIECSA-N 483.540 5.401 30 20 JKED COc1cc(/C=C2/COc3c(F)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 921265820 CHOIXJQGHYBDIR-WJDWOHSUSA-N 467.880 5.164 30 20 JKED N#Cc1ccc(CN(Cc2ccccc2OCC(F)(F)F)c2ccc3nc(O)[nH]c3c2)cc1 1653643701 YLCQEXWAYUGGOY-UHFFFAOYSA-N 452.436 5.288 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4nn(C)c5ccc(Br)cc45)CCC3)cc2)C1 1785810196 DBIPTTJJEZYSPK-UHFFFAOYSA-N 493.405 5.050 30 20 JKED Cc1cnc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)s1 1787216518 UJMMLJFKYUEGOQ-UHFFFAOYSA-N 450.951 5.038 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(-c5ccccc5)ccn4n3)cc2)CCC1 1788396197 FYYMDZWWRQBGBP-UHFFFAOYSA-N 463.541 5.053 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)c(C(F)(F)F)o1 1788613207 LYVJZLFXUKFLET-UHFFFAOYSA-N 496.489 5.254 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccc(C(F)(F)F)cn45)cc3)CCC2)C1 1789293780 ZDCYZHKUXHIGEA-UHFFFAOYSA-N 468.479 5.067 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1789448624 FCMJHGRIUGJOGJ-BJKOFHAPSA-N 495.664 5.679 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccn4c(C)cc(C)nc34)CCC2)cc1 1789625545 IDCHCGFYPBLLEQ-UHFFFAOYSA-N 458.606 5.691 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5[nH]ccc5s4)CCC3)cc2)ccc1F 1790520279 LCUQCLZCGQQYQM-UHFFFAOYSA-N 472.545 5.231 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3sc(-c4ccccn4)nc3C)CCC2)cc1 1791299516 LTLQQCVFLLTULR-UHFFFAOYSA-N 482.556 5.473 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4cccc(Br)c34)CCC2)cc1 1792262767 VJCCHGUKKRAHFO-UHFFFAOYSA-N 478.390 5.020 30 20 JKED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1793608920 ZKCLOLCKNZJEGN-ZGXDEKTJSA-N 473.642 5.108 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)[nH]c2c(Cl)cccc12 1796703910 KEGRAXQHSKEBFL-ACDBMABISA-N 484.116 5.433 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(-c4ccccc4)cn4ccccc24)C3)c1 1799603250 UIBMHISMJXWFIY-QEIWAGNOSA-N 474.564 5.044 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(Cl)cccc2Cl)C3)cc(C(F)(F)F)c1 1800740779 GEAXTKPPGLCXOI-BJWYYQGGSA-N 496.316 5.449 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccccc4)CCCC3)[C@@H]2c2cccnc2)c1 1802871677 LCUBMATVVBWTEC-NAKRPHOHSA-N 492.623 5.093 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)c(Cl)c4)CC2)C3)c1 1803685184 WSSVYFJPMYCIFM-ZIPUMODLSA-N 496.438 5.604 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1803857873 ZSSRDFCHBSCDBD-JMGPTOKJSA-N 494.451 5.465 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1)c1ccc(Cl)cc1 1805635560 BBTKIMIPALSNQI-VWLOTQADSA-N 478.036 5.496 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1c1cccnc1 1809153653 QXQSVYKHFSGDHM-SQJMNOBHSA-N 458.606 5.183 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)ccc4F)CC3)C2)c1 1810361385 ZPHCDCVFCCJGOO-UHFFFAOYSA-N 496.586 5.226 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cc4sccn4c3)C2)CC1)c1ccccc1 1810497470 BNQGJKUPPXBWDW-XMMPIXPASA-N 473.642 5.043 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1811427956 UBUUFOBOIJGLLO-DFHRPNOPSA-N 466.585 5.105 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1812521689 BQXQBAFYKAAQJI-URXFXBBRSA-N 493.051 5.193 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1812590724 STRDNQZAPRIRHG-NSXLHWASSA-N 470.013 5.054 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1813833475 NLLXHLRZVGGAKM-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1813870093 XMBIYHPHGTWKGE-ZEZZXZOMSA-N 488.676 6.025 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c1 1813882465 HTCHKCBECNKEQN-KFACBJOOSA-N 492.623 5.221 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[C@@H]1c1cccnc1 1814108337 UAJPGRKBDHYRJU-SAAIGDAKSA-N 487.550 5.013 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccc(Br)cc4s3)[nH]n2)C1 1814395125 HUNITOTXXNMQEV-GOSISDBHSA-N 499.434 5.659 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(OC)c2Cl)n[nH]1 1814611791 VUQILWHBVWFAIJ-VQIMIIECSA-N 487.000 5.155 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)[nH]n1 1814828343 HODOJNHZEBQJFX-FQEVSTJZSA-N 481.000 5.094 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1815214934 ZINBIXVWCHPXGC-RDTXWAMCSA-N 472.998 5.175 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)[nH]n1 1815216191 QQRFQECRFXDOSL-BCHFMIIMSA-N 499.615 5.435 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)c(F)c2)n[nH]1 1817766455 DALFAWLGYBWNSL-HSZRJFAPSA-N 491.542 5.249 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818210782 QTGDGRYQLXDYTR-GOSISDBHSA-N 494.590 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(Br)nc2C)n[nH]1 1818415907 QSBGSUQZDAYTTM-GDBMZVCRSA-N 492.443 5.011 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1819306813 FWZJDAVTVJDKHD-DOZDWOLESA-N 458.562 5.630 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1 1820976968 RRPRWNFNSVWZHK-QRWLVFNGSA-N 494.423 5.142 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821213135 RRVDIGADQFBAFO-LAUBAEHRSA-N 488.991 5.675 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)[nH]n2)c1 1821273906 UIFZHNLNYCKGLB-VWLOTQADSA-N 494.530 5.102 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)[nH]n2)c(Cl)c1 1821274622 JBDLFNQLYQUAMR-OUZREKFBSA-N 495.917 5.232 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1ccccc1 1821278809 WBXWWBFFKIIMBT-AOMKIAJQSA-N 461.953 5.044 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)oc3C)[nH]n2)c1 1821322568 QAJZZUOWGDLXMP-QFIPXVFZSA-N 473.577 5.408 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]n1 1822393443 ZYBFYJJNPMNIOC-XMMPIXPASA-N 480.572 5.062 30 20 JKED CC(C)=CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)CC2 1822734693 NSEGUOWBHJORLW-KRWDZBQOSA-N 476.524 5.006 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)ccc(Cl)c3F)n[nH]2)c1 1823273773 CGHJKPVQTLBYPR-XOBRGWDASA-N 497.933 5.588 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)[nH]n2)CCC1 1823380727 OJRDBYMKXTYJBB-SFHVURJKSA-N 493.917 5.011 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823676178 QKZHGTBDIUBZQF-VXKWHMMOSA-N 462.059 5.009 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1823753283 ZFVVVUMVCPRIHL-HSZRJFAPSA-N 499.099 5.776 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1ccc(Cl)cc1 1824249562 VTKOCQGERDNXSJ-RPWUZVMVSA-N 470.057 5.393 30 20 JKED COc1cccc(-c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)c[nH]2)c1 1825434303 AQSVFNYEJGMCJP-NDEPHWFRSA-N 496.611 5.109 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826511413 YCNJNDFIHCKEPW-RPWUZVMVSA-N 476.583 5.636 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1)c1cccs1 1828131205 NTYZWBWIWUBDCK-NDDJGDGRSA-N 493.654 5.030 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166133 JNURJABSIPVMJG-KQBIVOJMSA-N 498.048 5.500 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1828776752 AQNQKFLRZBHIAZ-XMSQKQJNSA-N 467.660 5.034 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)n(C)c2C)CC1)c1ccccc1 1829544415 HRGNXPJIXDIUHH-IXCJQBJRSA-N 473.661 5.072 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cnccc4c3)CC2)c(Cl)c1 1830721277 AZYIOKXZNYICIU-AREMUKBSSA-N 487.003 5.307 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1830769112 GZGHZPMGRBZJEU-SANMLTNESA-N 489.019 5.549 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1831445021 YPTLDOYCCWUCNG-CTWPCTMYSA-N 464.519 5.186 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831728117 SBIWOPASMQFOMU-AREMUKBSSA-N 465.613 5.053 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1831851730 UISUXGRPLXNINQ-MHZLTWQESA-N 460.593 5.530 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)CC2)c1Cl 1831977019 GSZYBOAYMWXEHT-ZCYQVOJMSA-N 476.020 5.175 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2ccccn2)CC1 1832163861 ODXRTEWMUYZOOI-IRLDBZIGSA-N 457.684 5.174 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3F)CC2)c1Cl 1832393359 NTERZKMBUAOCLE-DEOSSOPVSA-N 481.999 5.217 30 20 JKED COc1ccccc1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832630021 XDBAUJYEYGLTHI-AJTFRIOCSA-N 487.644 5.188 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc2c[nH]nc12 1832634116 NXUNQPAAJHKWDI-RXFWQSSRSA-N 483.616 5.046 30 20 JKED CC(C)Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3C#N)CC2)cc1 1832795471 NGTBDCJDBZDACH-HHHXNRCGSA-N 487.644 5.069 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1832920020 NCQUNXLHEBZKMX-RPWUZVMVSA-N 489.701 5.068 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(Cc4ccc(F)cc4)c3)CC2)CC1 1838656462 BPDJFGLAKWBWEF-QFIPXVFZSA-N 492.635 5.241 30 20 JKED C#CCCCCC(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1846489516 GECPROHIMXSANO-UHFFFAOYSA-N 466.581 5.643 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1cccc(C#N)c1 8988787 BCAHICKHNQRKLK-HNNXBMFYSA-N 451.983 5.705 30 20 JKED C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 9813298 UAVVZYITYWNKBE-XYYIANASSA-N 450.318 5.150 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(C)c2)c1 10174158 MEJCUKNPHXBGON-UHFFFAOYSA-O 459.513 5.849 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(CC)cc2)cc1 11159852 BOOQQBSIXLGLCE-UHFFFAOYSA-O 458.434 6.457 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 11250051 ZZHCOIUUHYWWQX-UHFFFAOYSA-O 459.607 6.279 30 20 JKED COc1ccc(NC(=O)[C@H](OC(=O)c2cc(C3CC3)nc(SC)c2C#N)c2ccccc2)cc1 12577462 DRNMOCFTWXPXSN-HSZRJFAPSA-N 473.554 5.098 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SCC#N)n2-c2ccc(C)cc2)cc1 21375375 POZWOBUKAOVFHK-UHFFFAOYSA-N 485.638 5.898 30 20 JKED Cc1occc1-c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1Cc1ccccc1 21684855 VJMPIJXSRJFRAP-HXUWFJFHSA-N 471.586 5.322 30 20 JKED Cn1ccnc1[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 23872546 BSVANCZQWXXOCO-ZMBJWTFHSA-N 471.376 5.516 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc(OC)c1OC 36716745 PCARRMNVMJMLKH-UHFFFAOYSA-N 466.969 5.323 30 20 JKED CCCCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc2c1=O 46581872 HJOBODYVESFCLK-IBGZPJMESA-N 474.611 5.289 30 20 JKED C=CCN(C(=O)c1nc(N2CCCC2)ncc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 107850716 YUXPITBQWMLBIZ-UHFFFAOYSA-N 494.835 5.993 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)cc2)n(C[C@@H]2CCCO2)c1=S 109404267 DDHSNYQJAYWKRJ-QHCPKHFHSA-N 465.598 5.139 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CSc3nncs3)c2C#N)C(C)(C)C1 205766945 PPGXZNHQOLRYGC-PLNGDYQASA-N 484.697 6.350 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nc(-c2ccccc2)no1 302851796 UMXFTUVIKZXSJO-OAHLLOKOSA-N 453.955 5.600 30 20 JKED C=CCN(C(=O)c1cccc(C)c1I)c1nc(-c2ccccc2)cs1 327613255 LCWBKESQSLNXNN-UHFFFAOYSA-N 460.340 5.556 30 20 JKED N#C[C@H](C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(C(F)(F)F)cn1 501315970 VBDMNIZZWXTPLR-HNNXBMFYSA-N 465.357 5.067 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccccc1 504320022 DEFKWJOBCDDHSQ-OAHLLOKOSA-N 451.621 5.459 30 20 JKED C=CCN(C(=O)c1cc2cc(Cl)ccc2o1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 507132491 SIFGPYWPNLRUGL-UHFFFAOYSA-N 472.975 5.446 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 508276247 STQFWUCNJOGKFJ-IBGZPJMESA-N 469.545 5.099 30 20 JKED Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)nc1 510041489 DVLTWTLDNLRHJI-NZQKXSOJSA-N 487.991 5.582 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 511337534 LHWJMUWVSJTCJG-UHFFFAOYSA-N 470.960 6.057 30 20 JKED C[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 511554086 LKIRBFXKUZPGHR-OPAMFIHVSA-N 470.953 5.326 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(-c2ccc(F)cc2)s1)C(C)C 513119855 FELDHICCDRSYHI-UHFFFAOYSA-N 451.567 5.513 30 20 JKED Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1I 517844819 XABYMMDYFLBSPU-UHFFFAOYSA-N 454.267 5.516 30 20 JKED CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4ccccc4Oc4ncccc4C#N)CC3)c[nH]c12 518199240 PIJSEPZUGKHMCY-UHFFFAOYSA-N 493.567 5.134 30 20 JKED Cc1cccc(C)c1OC[C@@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 518554126 OGEQRQVOXZBZBJ-AUSIDOKSSA-N 475.976 5.135 30 20 JKED CC(C)[C@@H](CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1 518806459 URLORWLPRMBDPG-XMMPIXPASA-N 457.599 5.459 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)cc2)cc1 520006305 YUJVMSOETOHIQB-UHFFFAOYSA-N 479.458 5.499 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCC(=O)Nc1cc(Cl)ccc1C#N 520467743 INCDRTTZADDTRF-UHFFFAOYSA-N 486.881 5.842 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 521726867 MERDXTJMNJLKBX-OAHLLOKOSA-N 458.008 5.808 30 20 JKED COc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC(F)F 523146902 VOQYEUIQXPYDSU-UHFFFAOYSA-N 469.463 5.219 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCc4c(Br)cccc4C3)c2)c1 523688289 WLMVLQNVMBORKY-UHFFFAOYSA-N 475.346 5.163 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 566755025 OCVSXSQVFIVMMQ-LLVKDONJSA-N 491.304 6.019 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)n1 591616423 RFRAUPQMKUASQW-UHFFFAOYSA-N 466.588 5.180 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)sc2c1CCC2 602754491 LMQPSZXWYIEAEU-UHFFFAOYSA-N 493.564 5.365 30 20 JKED Cc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c2cnn(Cc3cccs3)c2n1 603457968 LYRXGSKRKPUNJB-UHFFFAOYSA-N 456.556 5.097 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 603742644 DKGHLCBUNUZWLS-UHFFFAOYSA-N 459.575 5.562 30 20 JKED CCn1ncc2c(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc(-c3ccccc3)nc21 603995537 HOQQCEOQVJCNOV-UHFFFAOYSA-N 486.535 5.494 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 608922783 RMHTXXMCAMSNLO-UHFFFAOYSA-N 496.489 5.105 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc(OC)c1OC 609006175 CYQZRHFBZCFNOA-XMMPIXPASA-N 488.584 5.584 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609087498 TVBKVWVXADSKHG-GOSISDBHSA-N 461.949 5.257 30 20 JKED COc1ccc(CN[C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)cc1OCCCC#N 609393137 ZSHXRXNOGRBURA-SANMLTNESA-N 452.957 6.358 30 20 JKED C=CCN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 611778009 YQJUDGKESHLIQN-JKSUJKDBSA-N 472.554 5.101 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 613405047 UCCJALTZPCUHBA-QGZVFWFLSA-N 465.456 6.057 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccccc1OC 617993282 OQNSLQQXRSJBKR-HNNXBMFYSA-N 487.423 5.330 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1OC 617995002 YBGRIQYXAOVCQR-JKSUJKDBSA-N 456.999 5.151 30 20 JKED C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618453923 VOTZRVWFLKMZHK-WQAKAFBOSA-N 461.328 5.879 30 20 JKED O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)Nc1cccc(C#Cc2cccs2)c1 623651965 PXBRPUQELHYPBV-UHFFFAOYSA-N 452.539 5.117 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 642156991 DKSLBAJGIOPDLV-ZSHCYNCHSA-N 475.395 6.543 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2ccccc2n1C(F)F 642282397 NNFZKGNNYQHVPA-ZDUSSCGKSA-N 463.341 5.265 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(F)cc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 643187867 VRCBXIKTFHNZHV-UHFFFAOYSA-N 484.906 5.351 30 20 JKED C=CCc1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc(OC)c1OC 680419870 VENVSYAXVGPCEI-UHFFFAOYSA-N 455.942 5.187 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 726393116 LPKIONUNZLALED-QRWLVFNGSA-N 494.444 5.056 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 726393402 OIOAPRNJCUDCAA-BFUOFWGJSA-N 498.407 5.518 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2c(c1)CCC2 726394613 WHLFUKUGWYLOHV-CYFREDJKSA-N 479.646 5.177 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(F)(F)F)c1 726405987 SSWXGJIBMQKYLX-NRFANRHFSA-N 481.499 5.344 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3cccc(C)c3)cc2)cs1 727655646 ZFTFKHJCMKEMLP-XNTDXEJSSA-N 486.568 6.750 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 728429584 IWVGWPIGVQAWIS-JVBQTNIWSA-N 499.621 5.081 30 20 JKED C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)C(C)C 728868312 HMYGLPWBGYPLST-UHFFFAOYSA-N 461.798 5.484 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)cc1 729144114 BNGXDOVPHLAVQP-OAQYLSRUSA-N 494.642 5.237 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC 729426921 BONOMBKHDJCRMG-FYCOFBDGSA-N 458.358 5.136 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cc(F)ccc3F)C2=O)cc1 729631935 NMCYRUNWILBKGH-HSZRJFAPSA-N 490.535 5.305 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729881275 SWLWRETXWDIWGL-OSPHWJPCSA-N 498.583 5.729 30 20 JKED C#CCOc1ccc(NC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 730980854 VGAOJZDXLLCEMK-INIZCTEOSA-N 475.595 5.336 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1Cc1ccccc1 731065134 WUMJCTQRHVHKDY-SFHVURJKSA-N 461.587 5.201 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl 731077560 LUQJOMXQLJGOMR-GJZGRUSLSA-N 465.402 5.748 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(F)cc1)c1cccs1 731311836 IAHZGMJTEVEOKU-DYLGUULKSA-N 483.590 5.183 30 20 JKED CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4C#N)c3)SC2=S)c1 731371625 IWXPZAHECWGPBU-CFRMEGHHSA-N 485.590 5.501 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C/c2csc(N(C(C)=O)c3ccccc3)n2)S1 733779204 GMLZHIOSHCXKIB-HKWRFOASSA-N 456.637 5.748 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 743421685 PBZYDZBCGICSNT-UHFFFAOYSA-N 497.599 5.078 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3sc(N(C)C)nc3s2)n(C2CCCCC2)c1C 744512876 RYPVONYQDRHTHD-UHFFFAOYSA-N 485.635 5.015 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)O)c2)cs1 745020078 BHBHKAINKNKIHQ-KOTGUFOOSA-N 470.934 5.229 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)s2)c(C)c1 746416906 RFBZKRKYDCXJAR-QFIPXVFZSA-N 481.577 6.489 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746661092 XNSJISRVQLTSSS-LVXARBLLSA-N 451.595 7.199 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 746696623 RRPGNAJSNVNRMV-XMMPIXPASA-N 493.604 5.756 30 20 JKED C[C@H](OC(=O)c1cnc(-c2ccccc2Cl)s1)C(=O)Nc1sc2c(c1C#N)CCC2 747953363 TVJYMHQRPPCQRX-NSHDSACASA-N 457.964 5.069 30 20 JKED CC[C@H](C)n1c(SCC(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)nnc1-c1ccccc1 750256217 GWZRNDMQNCXSDH-SFHVURJKSA-N 486.601 5.117 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2sccc2S(=O)(=O)NCc2cccs2)cc1 751329688 VIKIDXVLMYVWNT-NRFANRHFSA-N 493.635 5.196 30 20 JKED COc1ccc(-c2nc(SCc3cn(-c4ccccc4)nc3-c3ccccc3)nc(O)c2C#N)cc1 824964063 ITLKDDMMEYPZDZ-UHFFFAOYSA-N 491.576 5.874 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)c1 837302231 VWSCXOQKSQYQEU-OAQYLSRUSA-N 499.589 5.065 30 20 JKED CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C2)ccn1 856652572 CUHXNRQDJAZIEF-RUZDIDTESA-N 486.641 5.238 30 20 JKED COc1ccc(-c2nc(Cc3noc(-c4cccc(COc5ccccc5C#N)c4)n3)co2)cc1 904332619 RXBCVJRPMVLFAL-UHFFFAOYSA-N 464.481 5.442 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccccc2COC(C)C)C1=O 914550090 MGCYOHGHJWJLAZ-HXUWFJFHSA-N 494.444 5.186 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 914694663 QUHZBIBXSJKMAW-IERDGZPVSA-N 499.539 5.473 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 914915891 GDTJLVGPUDITSD-NRFANRHFSA-N 470.573 5.077 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 915101046 BHJLWFOFZBVWTN-KRWDZBQOSA-N 488.794 5.222 30 20 JKED Cc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1I 915293143 BXMRCGLHCRKMCJ-HXUWFJFHSA-N 452.295 5.507 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1cccc2ccccc12 916204447 GEFFEPOMQFKZHE-RUZDIDTESA-N 480.593 5.438 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3ccccn3)C2=O)cc1 916206255 PAFUOUXLYCHREU-QFIPXVFZSA-N 479.005 5.512 30 20 JKED COc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1Br 916333727 RULNQQXMVWSBBG-UHFFFAOYSA-N 458.168 5.194 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 916901320 DZAKWUQFOLLISP-OAHLLOKOSA-N 474.369 5.324 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916915559 FNDUMXZRFPVTLR-OAQYLSRUSA-N 480.911 5.900 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 916944404 CXSPOUHJRHQIKQ-HNNXBMFYSA-N 455.725 5.405 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)[C@@H](C#N)c4nc5ccccc5n4C(F)F)nc(O)c23)C1 917041052 OKFGQCIJYUZKHB-TZMCWYRMSA-N 481.528 5.076 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042093 BNWPAXMYJINBKL-OAHLLOKOSA-N 487.532 5.427 30 20 JKED CCCCOc1ccc(-c2nnc(CON=C(C)c3nc4ccccc4n3C(F)F)o2)cc1 917397185 POVHFJJGXBXHHE-UHFFFAOYSA-N 455.465 5.601 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cccc(C)n3)C2=O)cc1 917680350 BMLVSEVDTYUJBB-JOCHJYFZSA-N 479.005 5.512 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 919915432 JHSYELMHVHRXJW-UHFFFAOYSA-N 450.539 5.134 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@@H]3c3cccc4ccccc34)nc12 919950823 NXXBRLQXVFADEE-HSZRJFAPSA-N 467.598 5.314 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccccc2F)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 920730083 ZPVWUJCGDPKLDA-CYBMUJFWSA-N 469.563 5.335 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Cl)cc1 920807133 YSMIENVBUKBGEQ-QAPCUYQASA-N 459.905 5.185 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(Br)s2)c([N+](=O)[O-])cc1OCC(F)(F)F 921260942 IQMKMRRTESWUHO-NSCUHMNNSA-N 466.231 5.265 30 20 JKED C=CCN1C(=O)N[C@H](c2ccc(Cl)c(F)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 921295441 UYVMEOVWHHAMFZ-LJQANCHMSA-N 467.850 5.663 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C2)C1 1780206160 DCNIDHWGIWDKRZ-SSEXGKCCSA-N 487.644 5.250 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786179715 BLACYBJBYJONHC-MAODMQOUSA-N 469.532 5.003 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)CCC2)cc1 1786373837 OYXHKKYKNJRBBO-HXUWFJFHSA-N 497.035 5.113 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)cc2)CCC1 1786711687 OTTDNFJEAAKNID-NRFANRHFSA-N 489.682 5.123 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(CNC(=O)OC(C)(C)C)ccn3)cc2)CCC1 1787128228 VBLHVHWRCGFBRI-IBGZPJMESA-N 492.620 5.066 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(Cl)c4)CCC3)cc2)c(O)n1 1787172061 UWEMSGKLOHVASC-UHFFFAOYSA-N 476.964 5.016 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4noc5ccccc45)cc3)CCC2)c(Cl)c1 1788171630 QOWWXRGTBNXDPK-UHFFFAOYSA-N 484.943 5.343 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)CCC1 1789027582 OXCZKRPKZYNSEN-UHFFFAOYSA-N 452.352 5.254 30 20 JKED COc1ccc2nc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)ccc2c1 1789028235 LEQVPLXNCNNYER-UHFFFAOYSA-N 490.563 5.371 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789073689 HXVGACOSIKUWFN-JOCHJYFZSA-N 465.981 5.142 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccc(Cl)c(F)c4)CCC3)cc2)c1 1790255782 NRELQWUVSBLMOY-UHFFFAOYSA-N 477.923 5.177 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5ncccc5c4)CCC3)cc2)c1 1790255888 YZYXIBMPZZLOII-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC(C)(C)C3)CCC2)cc1 1790472861 SAGIBDVDFMDAGN-QHCPKHFHSA-N 495.664 5.254 30 20 JKED COc1cc(F)c(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c(F)c1 1790674261 AWUZSAMFGWQODA-MDZDMXLPSA-N 496.535 5.222 30 20 JKED O=C(Nc1ccc(C2(NC(=O)c3ccc(O)nc3)CCC2)cc1)c1ccc(C#Cc2ccccc2)cc1 1790691586 KLYNYOXTDDHZOF-UHFFFAOYSA-N 487.559 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)[C@H]2C1 1790771993 BWENWILPSVQNGE-TWDDROGUSA-N 475.073 5.052 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccnc5c(O)cccc45)cc3)CCC2)c1 1790978252 RMNDPXCBBNBLTQ-UHFFFAOYSA-N 490.563 5.193 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C3=CCCS3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204370 ZOSAMYVROQXNBF-HXUWFJFHSA-N 485.650 5.001 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3cc(Br)ccc3c2)c1 1797983444 MINXLMSBBSVVIS-BKFWDETESA-N 488.385 5.040 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ccc(Cl)cc3c1)C2)c1ccccc1 1798556956 PIZBRVHKTOILCF-XDZVQPMWSA-N 486.015 5.337 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3cc(Br)ccc3c1)C2 1798593552 UDGILRVOFHFDBL-WKCHPHFGSA-N 484.438 5.242 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)cc1 1799665911 PODFYAPFJTYUHT-ZLWYIUKBSA-N 476.020 5.437 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 1800467663 IAXZKZWLVIFSIQ-GAZPGATBSA-N 489.925 5.551 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1802440738 CAJUYXZXYWZIAX-HRFVKGKKSA-N 491.016 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)[C@H]1c1cccnc1 1802495974 HMFODONSZAQTTN-ULNCZQIZSA-N 488.676 5.144 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1802496334 ICTXAORNJIZRNT-GCJKJVERSA-N 467.660 5.670 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1 1807479143 ZFPPHTHFOUVFOR-PQHLKRTFSA-N 494.639 5.248 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)[C@H]1c1cccnc1 1810175603 MBVPQYZOJZGLER-NXCFDTQHSA-N 459.634 5.125 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1810498939 QZIAEMPRLFGOOV-YADARESESA-N 479.621 5.747 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)[C@H]1c1cccnc1 1810502677 KIFDRICRAWEQFU-TWVZQSRDSA-N 453.671 5.686 30 20 JKED CC1=CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC1 1811872813 HFHMYEPXEFDJEF-XZDHIHRUSA-N 496.533 5.038 30 20 JKED Cc1cc2cc(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)ccc2[nH]1 1812278453 YCWIEKWKPDKQGH-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@H]1c1cccnc1 1813227358 COEVUNRFWKIORH-BWKNWUBXSA-N 497.561 5.032 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1813229371 MEARUVUMLDVIQC-DVECYGJZSA-N 472.416 5.210 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813968646 XPROBYVDUHGBFZ-SIKLNZKXSA-N 491.529 5.552 30 20 JKED Cc1c(F)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814607428 CKHMMIYRUWSDLW-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cn3ccc4c(F)cccc43)n[nH]2)c1 1814832857 HWRBHYBXKLNLRI-AVRWGWEMSA-N 498.562 5.137 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938602 AZWUNDGNJIYQRT-FHZYATBESA-N 473.017 5.086 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679736 NGOLXAKPQPKPDG-KXBFYZLASA-N 484.025 5.747 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)oc2ccccc12 1818566515 BDFMIKNDTNWROZ-HSZRJFAPSA-N 481.556 5.275 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)[nH]n1 1819307232 DDNHKNGUQQHZFY-UYAOXDASSA-N 460.500 5.503 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)[nH]n1 1819309040 KSPDNLDSTQPBHT-XOBRGWDASA-N 462.928 5.416 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)[nH]n1)c1ccccc1 1819518708 YONNGMKUWCVYLM-GGAORHGYSA-N 485.613 5.227 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)ccc2n1 1820219288 NJHYXWVGMBYCCK-HSZRJFAPSA-N 498.974 5.411 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4nscc34)[nH]n2)c1Cl 1820221396 VTYZHRSMCYHYRV-FQEVSTJZSA-N 490.976 5.164 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1)c1ccc(Cl)cc1 1821270963 MIFAEULBJAIWEP-IVZQSRNASA-N 479.943 5.183 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c1 1821307357 PQZNTWDCTHEHRD-IQGLISFBSA-N 467.573 5.534 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1)c1ccc(O)cc1 1822468143 LHGAHBPDXVEMDH-QURRFSBHSA-N 488.563 5.015 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c(Cl)c1 1823185976 GCQPNWLWJPOLFN-JOCHJYFZSA-N 461.953 5.057 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccnc(C(F)(F)F)c3)[nH]n2)c1 1823210819 GKGRRYLYFMGGCX-MGPUTAFESA-N 496.493 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823293097 YUHWSXQLNLZMLP-GMAHTHKFSA-N 475.593 5.143 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@]3(F)CCCC=C3F)n[nH]2)cc1C#N 1823588850 PANSXTIMXLGCIF-IBVKSMDESA-N 497.546 5.120 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CC(c5ccccc5)(C3)C4)n[nH]2)cc1 1823589266 USUFRQDEHNOKRF-OAHPJDTOSA-N 493.611 5.028 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(NC(=O)OC)c2)CC1 1823753484 QZVYPJJKKPPYRZ-HSZRJFAPSA-N 469.626 5.091 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)CC1 1824000471 LPDSPHBSLUPZRL-HHHXNRCGSA-N 499.655 5.069 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1824496912 AOQBLYSMTYHVLB-HHHXNRCGSA-N 477.649 5.206 30 20 JKED Cc1ccc(CSCCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1 1824545167 UYXHZYODCZCXEZ-ILBGXUMGSA-N 476.752 5.192 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)C1 1824839228 ISLCCNKJERSACS-YVSHKSEASA-N 460.540 5.305 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1824961082 HBDYCANODMKMKG-QHCPKHFHSA-N 472.054 5.041 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1 1827332395 PZDPGNUNBKITGX-AZGAKELHSA-N 479.690 5.245 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827362990 PYZCJEPOXNUOLC-RXFWQSSRSA-N 487.669 5.453 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1827494717 PGNSRTVZSGDBDI-JOCHJYFZSA-N 469.029 5.170 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)CC1 1827936953 OQBBTQIIDWXZMB-FQEVSTJZSA-N 465.560 5.046 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828497968 GHAMHGNSHVGZIC-HSZRJFAPSA-N 489.994 5.641 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 1828828605 NJHOYELTONAICN-AHKZPQOWSA-N 459.634 5.545 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2F)CC1 1828903366 FSPCYDIBZGLSCQ-NRFANRHFSA-N 462.707 5.172 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829580483 CNTOAEMDIRVSGF-NZQKXSOJSA-N 483.703 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1830397125 HAFPHWYSBYGHCN-VXNXHJTFSA-N 489.701 5.068 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1830532444 QLCVDNHQUOUDAT-GOSISDBHSA-N 494.451 5.420 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)c(Cl)c1 1830721728 NIJUHRSVZSTEIX-JOCHJYFZSA-N 459.993 5.117 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c(Cl)c1 1830724613 VBCNYAFHXCJLMA-QHCPKHFHSA-N 488.390 5.551 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1)C(F)(F)F 1831451267 QLFMANBZGOGQHC-HSZRJFAPSA-N 471.523 5.100 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1)C(F)(F)F 1831452530 GMMOMQXKOPCHMK-QFIPXVFZSA-N 471.523 5.100 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1831528228 BRNKCNNKFJDXIU-AJTFRIOCSA-N 457.618 5.098 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831842381 KTARAKURJPFIRC-YKSBVNFPSA-N 475.658 5.158 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@H](C)S)CC3)ccc21 1831844086 PSBQSEISSQZEAD-YADARESESA-N 477.674 5.366 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 1831853319 QQLSHUAWCQSCQL-NRFANRHFSA-N 479.846 5.139 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1831854652 LGXNHYBYHWBHKC-QFIPXVFZSA-N 482.974 5.325 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1 1832031282 HLLYYCNRQXWTSJ-ZOXUKVPXSA-N 491.495 5.337 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC=CCC1 1832406239 BAHQYVGNXXODGR-BKMJKUGQSA-N 454.014 5.191 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1 1832566969 VFGIUOQPORKZTF-DQEYMECFSA-N 497.680 5.006 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832687677 FFCBHJIDSLGXIG-QGZVFWFLSA-N 460.899 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1838422796 MNNQZOUTRJCLJX-UHFFFAOYSA-N 487.040 5.691 30 20 JKED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc(C(F)(F)F)c1 1845513703 PHEBBCMVMIGZFF-UHFFFAOYSA-N 482.289 5.015 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2sc3c(c2c1=O)CC[C@@H](C)C3 8633257 SDGQFSONYBAXBW-GFCCVEGCSA-N 494.469 5.806 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1 9447772 JDLFGEWCOPKCLD-UHFFFAOYSA-N 499.596 5.123 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1C 10167701 KBGMXGIERQBLGN-UHFFFAOYSA-O 486.060 6.886 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 10827663 QPIGVOFIPSFJNY-UHFFFAOYSA-O 492.089 6.948 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)N(CCC#N)c3ccccc3)c3cnn(C(C)C)c3n2)s1 11259889 MOBVKJFJJSAKKV-UHFFFAOYSA-N 487.585 5.153 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)ccc1Cl 11872008 LSHQKEOUDBHUCC-UHFFFAOYSA-N 488.322 5.402 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872425 AAKKVSUDTLYONC-UHFFFAOYSA-O 480.585 6.284 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1ccc(C(CC)CC)cc1 22796006 HXDUPDUYGTVTOI-UHFFFAOYSA-O 460.461 5.745 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 23407153 UPBLIURRQOEFLS-KRWDZBQOSA-N 474.611 5.794 30 20 JKED C[C@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 23539318 AZIPNYYTHKBEND-NSHDSACASA-N 498.680 5.265 30 20 JKED Cc1cc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23604831 PUANRUCHIVUPKP-UHFFFAOYSA-O 468.646 5.281 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 23855592 BZWMSONZBQDRHG-QHCPKHFHSA-N 498.674 6.046 30 20 JKED N#C[C@@H](C(=O)CSc1nccn1-c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 26042454 VHZLKFQVVVZUER-SFHVURJKSA-N 450.976 5.618 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2sc(-c3ccccc3)c(C)c2c1=O 26676941 INTLURZWZJANRG-OAHLLOKOSA-N 492.651 6.584 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2sc3c(c2c1=O)CCC3 28381259 RPTCTCKDKVHKFK-UHFFFAOYSA-N 466.415 5.170 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCSc3ccc(F)cc32)nnc1-c1ccc(Cl)cc1 32422717 BHWQBSZROYNQNW-SFHVURJKSA-N 475.014 5.369 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2N2CCCCCC2)CC1 32954269 SUKLXOKFOMECEZ-UHFFFAOYSA-N 459.550 5.042 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)cc1 46879812 YVESAYAEGITLRX-UHFFFAOYSA-N 470.554 5.579 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1Cl 59000609 WGKIRPXCVXFQSH-LADGPHEKSA-N 459.933 5.365 30 20 JKED CN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)c1cccc(C#N)c1 60084009 UCMOJLAMFZNTNI-UHFFFAOYSA-N 461.500 5.434 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 78720050 KJYOXXPAFQGCLJ-OAHLLOKOSA-N 463.563 5.781 30 20 JKED Brc1cc(Br)cc(C#Cc2cc(Br)cc(Br)c2)c1 90548723 REWWCNJVJQNSLU-UHFFFAOYSA-N 493.818 6.136 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)cc2F)C[C@H](C)O1 108288887 OWWRTYYZQWBAAE-OALUTQOASA-N 475.589 5.392 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)c1 255076157 ZKNLURLINFBZCY-RUZDIDTESA-N 480.593 5.704 30 20 JKED C=CCn1c(SCc2nc3ccccc3n2-c2ccc(OC)cc2)nnc1-c1cccnc1 302924212 ACVJZMUABBASNT-UHFFFAOYSA-N 454.559 5.166 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 303258245 DOUQSAHEVAWCHN-HNNXBMFYSA-N 468.376 6.140 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1cccc(C)c1 303337690 XUOKWDYCSLZSHA-SFHVURJKSA-N 465.648 5.789 30 20 JKED N#CCc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)cc1 479307169 MPVWXQGJTUSTFN-MUUNZHRXSA-N 472.548 5.367 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 479861200 INWPGHJKKNCVHQ-FXAWDEMLSA-N 486.638 5.020 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Br)ccc1Br 484318881 NFXFKPCNBQEISV-KRWDZBQOSA-N 452.146 5.125 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc(-c3ccco3)nc21 487384487 ARXYPQBMCKAFTM-UHFFFAOYSA-N 468.542 5.443 30 20 JKED CC(C)n1ncc2c(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc(C3CC3)nc21 487997007 OHJBHTDCFHPFFJ-UHFFFAOYSA-N 467.548 5.743 30 20 JKED CN([C@@H](c1ccccc1)C(F)(F)F)S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 488793174 PBLWNLGFPQEGMU-INIZCTEOSA-N 473.410 5.028 30 20 JKED C=CCN(C(=O)COc1ccc(C(C)C)c(C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491062445 ROOXOSIGPNIHCV-UHFFFAOYSA-N 484.643 5.243 30 20 JKED CC(C)Cn1ncc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cnc21 498375899 IICCDBLPOQGFGQ-UHFFFAOYSA-N 484.507 5.277 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)sc2c1CCCCC2 499094691 UWFZHWZWWNUMOM-UHFFFAOYSA-N 486.435 5.142 30 20 JKED Cc1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)n1 502688813 ACFBGGOJDNRQDC-HNNXBMFYSA-N 461.399 6.016 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)COc2ccccc2OCc2ccccc2)cc1 503169497 DWLHUXXKMOTEJI-UHFFFAOYSA-N 454.448 5.107 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1ccsc1)c1ccccc1 505314265 MPXYKUKPWDNKQU-UHFFFAOYSA-N 471.376 5.393 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 505626547 UKFVMQSDRUHCTP-HSZRJFAPSA-N 485.540 5.001 30 20 JKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 509224611 KWCYYOMQMGEEIB-UHFFFAOYSA-N 458.518 5.682 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)c1 509564790 QCLWSZOUQZFPAR-UHFFFAOYSA-N 463.559 5.015 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)o1 509949772 VGAYRHLBECQOCC-LZDHAAFVSA-N 460.669 5.484 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1ccccc1)c1nccs1 510559145 MWPFYAXOQQTHDZ-LJQANCHMSA-N 460.372 5.532 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1 510855997 BUJFBECIUQGDII-VWLOTQADSA-N 457.530 6.045 30 20 JKED C[C@@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)C1 514326601 XUVWFNZHHOTINT-BRWVUGGUSA-N 499.040 5.046 30 20 JKED Cc1sc2nc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)n(C(C)C)c(=O)c2c1C 514586692 KVXNKOSMLQFIDF-UHFFFAOYSA-N 475.039 5.348 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1nc(O)c2c(-c3ccco3)csc2n1 514708831 HYHNQDLSWGKTMS-INIZCTEOSA-N 496.662 5.316 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCc3c(Cl)cccc32)cc1Cl 516730294 BMXDGLOQEDGKIU-REWPJTCUSA-N 464.352 5.391 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nnn1-c1ccc(OC(F)F)cc1 518195166 SFMDSYACJWUSFJ-UHFFFAOYSA-N 497.449 5.454 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)c2)cc1 519127417 ACMBQIKOPNDGGF-UHFFFAOYSA-N 454.511 5.241 30 20 JKED Cn1c([C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c2ccccc2)nc2ccccc21 520445021 VALBQLUMBIXHAL-QFIPXVFZSA-N 479.462 5.297 30 20 JKED C[C@H](SCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)c1ccc(Cl)cc1 521024102 LUSLTBOTDMPUOY-QFBILLFUSA-N 458.027 5.504 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 521460340 XFLQVSXOBBGIDT-UHFFFAOYSA-N 498.627 5.578 30 20 JKED COc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(OC)c1 521732966 AGRVXVSAISITRE-ZDUSSCGKSA-N 453.486 5.167 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521811649 OXURRVMEIHMLKV-UHFFFAOYSA-N 493.361 5.524 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 522339125 VAARNEINEOJCMT-UHFFFAOYSA-N 467.548 5.412 30 20 JKED CN(CCOc1cccc(Cl)c1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 552363169 FNQZXLFJFSZBAE-UHFFFAOYSA-N 479.989 5.093 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1cccc(Cl)c1 589829408 CTNSBKWLFLKKQT-UHFFFAOYSA-N 472.039 5.551 30 20 JKED COc1ccc(-c2ccc(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(F)c2)c(F)c1 593039766 QLLDYOCDMYKYSY-CHWSQXEVSA-N 467.356 5.843 30 20 JKED N#Cc1ccccc1OCc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)c1 594668893 VQYQVNQELJZTLI-VVZGZWEYSA-N 477.608 5.120 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)cc1 603746263 GKLQNNMAKFIXHA-MHZLTWQESA-N 477.612 5.089 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)o1 603952544 VOAJPNVPBGFULM-UHFFFAOYSA-N 450.800 5.577 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603992529 YXYJHSQQZXCHQW-UHFFFAOYSA-N 459.552 5.853 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(Cl)c3cccnc23)cc1 604003188 JHCFWCRQBZUJLA-UHFFFAOYSA-N 457.917 5.551 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 604007748 YCPKYTATIWJDKU-HXUWFJFHSA-N 469.526 5.190 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604257640 JXNGZZSMURLBCJ-HDICACEKSA-N 456.386 5.340 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ccc(Br)cc3F)s2)cc1 604485861 YWYPYABMVMIWFE-UHFFFAOYSA-N 477.384 5.175 30 20 JKED COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 608876366 LOYAXLJRQYBICI-UHFFFAOYSA-N 451.486 5.454 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(CCSC)cc2)nnc1-c1ccc(Cl)cc1 609014564 WZDPEMPJOVFXIL-UHFFFAOYSA-N 459.040 5.421 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609061660 SJGNKXPAIHWBIN-UHFFFAOYSA-N 467.594 6.367 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 609114947 UABDNSIZLKTORL-UHFFFAOYSA-N 492.579 5.555 30 20 JKED CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 609415978 SSHQJMLJHKNBQY-SFHVURJKSA-N 486.359 5.430 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(NC(=O)c4ccccc4Cl)cc3C)n2)cc1 613318170 NCEQQGABOTZCNX-SFHVURJKSA-N 492.025 6.884 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c12 613404993 ZDIZCFDWXJSHFX-MRXNPFEDSA-N 462.504 5.607 30 20 JKED CCOc1cc(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 616090238 RVDBQQJJGXFRCA-VXGBXAGGSA-N 478.380 5.395 30 20 JKED CC(C)(C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C(F)(F)F 620304517 ITZGARBWBGDKRT-SNVBAGLBSA-N 454.424 5.549 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)nnc1-c1ccccc1OC 639430010 VYGHYLJJHUQJQV-WZONZLPQSA-N 462.619 5.234 30 20 JKED O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642446892 ZCSQIKWLZQUDLZ-GDNZZTSVSA-N 487.416 6.043 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N/CCc3ccccn3)N(Cc3ccccc3C)C2=O)c1 726107290 AXONIQYFPVHTIH-YWFCIECYSA-N 486.641 5.078 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726118422 MVGZDPIUANOUKT-KKSFZXQISA-N 497.646 5.003 30 20 JKED CCOc1cccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1OC(F)F 726627921 VUHUNDNOUBLMSJ-PXNMLYILSA-N 466.918 5.618 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(C)c2)c1C 727252230 AJNUQCSUHQSRED-HSZRJFAPSA-N 493.608 5.128 30 20 JKED COc1cc(-c2cc(C(=O)Nc3ccc(F)c(C#N)c3)c3ccccc3n2)cc(OC)c1OC 728179515 DZOGKTPUPWXDAK-UHFFFAOYSA-N 457.461 5.191 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1CCCCC#N 728777789 OPQSNNADMQAQTA-HXUWFJFHSA-N 488.535 5.668 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(CCCCC#N)C2=O)c1 728780373 RWRAYEJOJJSSQI-XMMPIXPASA-N 476.646 6.081 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCCSCc2ccccc2C#N)c(C(F)(F)F)c1 729570979 DPQVCKSJUHXTFM-UHFFFAOYSA-N 494.539 5.979 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 729634215 JODKYMFDAODXFH-NRFANRHFSA-N 464.978 5.204 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCCO[C@@H](c3ccccc3)C2)c1=S 729852092 NTHRKNILBVWGOB-JOCHJYFZSA-N 471.026 5.254 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730943882 MANTUHCXWAOTNJ-MBSDFSHPSA-N 476.577 5.559 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944600 YMTGZKSMPSTNGG-FDDCHVKYSA-N 476.577 5.559 30 20 JKED Cc1ccc(-c2ncc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)c(C)c1 731079465 VXFAPIBSOIKADJ-QGZVFWFLSA-N 465.600 5.617 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccccc1F)c1cccs1 731311258 AFDSAYVBSSAEKT-PEIXWMAYSA-N 497.617 5.225 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)O)c2)cs1 745020076 BHBHKAINKNKIHQ-BMGYJQCNSA-N 470.934 5.229 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C\C(=O)c2ccncc2)c(Br)s1 745997784 LBNSQAKEJUXGIP-WAYWQWQTSA-N 496.308 5.900 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O)Nc1ccc2ccccc2c1 747602208 YPYVPPUODHERFX-QFIPXVFZSA-N 486.622 5.499 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1=S 747803121 HSCGFZNSMDSDPI-OFNKIYASSA-N 452.599 5.463 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)c1 748583592 HHPVJSWEHHSJJE-UVTDQMKNSA-N 495.535 5.409 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 749333060 LYUVPVPLQVZZFW-IAGOWNOFSA-N 476.390 5.422 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)nnc1-c1ccccc1 750391317 GAVPKWDZZOSYHL-NVXWUHKLSA-N 467.982 5.009 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1-c1ccccc1 750911433 QIQJUWQTFYKEHY-KOSHJBKYSA-N 470.598 5.110 30 20 JKED COCCCN1Cc2ccc(N=Cc3cc(Br)cc(Br)c3O)cc2C1 750950013 MIPCOCNDIONYAM-UHFFFAOYSA-N 468.189 5.020 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CC(F)(F)F)C2=O)cc1 799216279 VTCNSGRVBDCGTC-IBGZPJMESA-N 477.508 5.029 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1C 837299836 OHNGNJZYBWOYFA-MBSDFSHPSA-N 476.577 5.559 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 837301289 SXMPWVCSRYYQNK-OPAMFIHVSA-N 483.540 5.539 30 20 JKED COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)Nc2cccc(C#N)c2)cc1OC 875952732 CFWMTHFIDHUEDR-UDWIEESQSA-N 480.467 5.365 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915101709 KCNZLMNGUHCHCU-UYAOXDASSA-N 484.046 5.500 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3c(Cl)n2)n(Cc2ccccc2)c1C 915448874 IQEKPGCBHHYLJY-UHFFFAOYSA-N 472.932 5.022 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(/Cl)c3nnc(C(=O)Nc4ccccc4)s3)c2)c1 915987111 SKRQYVSHLVJQHT-HYARGMPZSA-N 472.957 5.978 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CC2)C1=O 916205880 UCJQSMOFMMZBBF-FQEVSTJZSA-N 475.973 5.391 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCc2ccccc2)C1=O 916208483 HNOAPLMVYZKIPM-HSZRJFAPSA-N 477.561 5.037 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC(F)F)cc1 916210212 CUFYXWFMMXDDQI-OAQYLSRUSA-N 499.539 5.048 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2C2CCCC2)cc1 916214104 KMGSUKNUSMVWCZ-QFIPXVFZSA-N 451.592 5.161 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916903740 RWPWEZAGUFYHLB-OAQYLSRUSA-N 456.502 5.424 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916931777 OCJQVKDWPDDLJI-GOSISDBHSA-N 480.326 6.097 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)n2)cc1 916975049 VILQBKLLPXTWLN-OALUTQOASA-N 498.435 6.154 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(Cl)sc2Cl)cs1 917559268 GTWKMYRAZAOYFV-DAXSKMNVSA-N 457.791 6.746 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(Cl)cc(Cl)cc3C2=O)cs1 917560514 PGZVAPGVHQPQGT-VGOFMYFVSA-N 459.354 6.102 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)CCO3)cc1 917612458 ROZZXKJXXAIGSM-UHFFFAOYSA-O 470.618 6.008 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)c1 917678531 WKDWSZOFVJPRCO-HSZRJFAPSA-N 495.551 5.272 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1-c1ccc(F)cc1 917775218 ZNTIWMHZCPFNDY-UHFFFAOYSA-N 475.570 5.362 30 20 JKED CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2csc(COc3ccc(Cl)cc3)n2)C1=O 918712337 JSZQJZRJCBQGAZ-XDHOZWIPSA-N 482.945 5.203 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)C(C)(C)C#N)c2C#N)C(C)(C)C1 919350546 DYZVWAHQMZVDFD-VOTSOKGWSA-N 479.627 5.799 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)n2)cc1 920140463 COWUTZCEEGNWFO-ZGRWHYIRSA-N 457.864 6.244 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3nc4ccccc4s3)n2)cc1 920141711 HNUAQPDICRZNNZ-INIZCTEOSA-N 451.598 5.787 30 20 JKED Cc1ccc(-c2nc(CC(=O)O[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)cs2)cc1 925941132 QIECWJGWWYUGDD-HXUWFJFHSA-N 461.587 5.156 30 20 JKED C[C@H](OC(=O)c1occc1CSc1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 927812299 MJBBULYKTLCSBP-KRWDZBQOSA-N 452.507 5.203 30 20 JKED N#Cc1ccc(CN(Cc2cccc(OCC(F)(F)F)c2)c2ccc3nc(O)[nH]c3c2)cc1 1307546187 LWWFQHCBIIYNRC-UHFFFAOYSA-N 452.436 5.288 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4CCCN(C(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785807499 FUQBEIUOUNHVBC-NRFANRHFSA-N 495.664 5.514 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccncc4)[nH]n3)CCC2)cc1 1785843434 ZOSODUOGCCPORX-UHFFFAOYSA-N 457.578 5.212 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1786366911 GOIWGGQMZNZRIK-UHFFFAOYSA-N 465.981 5.552 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](c3ccccc3)N(CC)CC)CCC2)cc1 1786367197 DSGFJFZMGHYJIJ-HHHXNRCGSA-N 477.649 5.186 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CCCCNC(=O)OC(C)(C)C)cc2)CCC1 1786563805 LQFGZHJQGIKUAI-UHFFFAOYSA-N 469.626 5.009 30 20 JKED Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)n1 1787324865 PLCBTSWDOOXAJN-UHFFFAOYSA-N 478.474 5.342 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4)cc3)CCC2)c1Cl 1787722595 INSHACXVYQLOQM-UHFFFAOYSA-N 459.933 5.038 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)CCC1 1787761568 FGZBBBNXEVIOJF-OUKQBFOZSA-N 462.546 5.003 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@@H](C)N(C(=O)OCc4ccccc4)C3)cc2)CCC1 1789215914 HPQQOPRGZFKWHT-GGAORHGYSA-N 489.616 5.134 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5ccc6scnc6c5)cc4)CCC3)c2c1 1789341344 ZIOZBYFAYOXKBP-UHFFFAOYSA-N 492.564 5.106 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5c[nH]nc5cc4Br)cc3)CCC2)C1 1790043792 QGGNYDDRMUQXGU-UHFFFAOYSA-N 479.378 5.039 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)c1 1790076462 ODUZOKVCBNZXKQ-AREMUKBSSA-N 465.500 5.060 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)ccc1O 1790310478 FNXOFAWYHCBHMD-SFHVURJKSA-N 469.541 5.089 30 20 JKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1)c1ccc(O)cc1 1790507939 ZLNYCFNJJZCUNQ-JKGDOXCYSA-N 474.582 5.130 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](CCC=C)NC(=O)OC(C)(C)C)cc2)CCC1 1790519042 CUOXAMIRRFRZFI-HSZRJFAPSA-N 481.637 5.174 30 20 JKED CC1(C)Cc2cccc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)c2O1 1790707712 PMYZQSKVIWQNNL-UHFFFAOYSA-N 479.580 5.528 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ccoc5c4)CCC3)cc2)c1 1790766840 NIUFGGCSQZFADS-UHFFFAOYSA-N 453.473 5.505 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nccn45)cc3)CCC2)c1 1790915122 HJMCPQBICQJEFQ-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)CCC2)cc1 1791298686 PTFDYTBXUTVJHF-UHFFFAOYSA-N 459.443 5.405 30 20 JKED COc1ccc2[nH]cc(/C=C/C(=O)NC3(c4ccc(NC(=O)C5(C#N)CCC5)cc4)CCC3)c2c1 1792233330 DZBXSPVNZZAIII-NYYWCZLTSA-N 468.557 5.018 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)CC3CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1792271812 SKNFMFAURWWOII-JOCHJYFZSA-N 469.626 5.170 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793210517 BDCHPFNCXBQAEC-ZZCLBJKQSA-N 463.087 5.206 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCCC1)C2 1800175456 GKOXDXGBFRZHEL-KIHHCIJBSA-N 491.717 5.459 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802493324 VUOSWFYQLLMJHI-WNOPAQSVSA-N 468.041 5.537 30 20 JKED Cc1cc(Br)sc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1 1803680497 FZSOBFCHPWQVHU-FZDIXFNVSA-N 486.435 5.012 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3sccc3OCC)C2)CC1)c1ccccc1 1804696686 DUIFIHHXKRIQCY-HSZRJFAPSA-N 478.658 5.189 30 20 JKED C[C@@H](C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1)c1ccc(Cl)cc1 1804752961 NLMPVRKKCDYLRW-OAQYLSRUSA-N 478.036 5.179 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC#N)cc3)CC2)C1 1808383657 XBZOREMOYDNCJS-UHFFFAOYSA-N 461.606 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccnc1 1810504632 GZYRMFSEOLTCBB-CVDCTZTESA-N 470.013 5.056 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)[C@@H]2c2cccnc2)C1 1811139623 PNGQBHVRLYFKGB-UWJYYQICSA-N 477.914 5.040 30 20 JKED CC#C[C@@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1)c1ccc(O)cc1 1812700906 RJHLAZJVEIYDPG-QRQOKOAMSA-N 489.660 5.207 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1812808018 UJMQLMCAKVYHKZ-ZEZZXZOMSA-N 488.676 6.025 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)[C@@H]1c1cccnc1 1813228720 QLTMYMWBHGHNBD-RBTNQOKQSA-N 496.636 5.358 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1814101603 OMBCFUCEDFOCMG-JZZUXWEVSA-N 478.036 5.128 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3cccc(C)c3)[nH]n2)C1 1814393696 JPWBRFGVCIZWRX-QHCPKHFHSA-N 455.562 5.052 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc3c2CCCO3)[nH]n1 1814442764 YTYSIHJSMLCVNZ-LJQANCHMSA-N 456.612 5.095 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)[nH]n1 1814824576 YPGGRUDDRDQWCV-VWLOTQADSA-N 471.605 5.351 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1814825046 NTTBUMASNPIESR-QFIPXVFZSA-N 465.985 5.619 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)[nH]n1 1814829442 QWUSOUSAKWVFSN-ZNEWLNCYSA-N 462.619 5.058 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)n[nH]1 1815151659 KAKPACPDHNYJAJ-QZNHQXDQSA-N 464.610 5.207 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1815208092 SLAYMZLDHATDEE-IBGZPJMESA-N 498.933 5.371 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c(O)n1 1816240199 RNGLFRHPGDRDNV-LJQANCHMSA-N 491.573 5.056 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNc2ccccc2C)n[nH]1)c1ccccc1 1817427383 XPVIQAUUWRVVPV-BVAGGSTKSA-N 483.616 5.020 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818117268 GDIRMXPYXYTXCE-NYQNCTAXSA-N 456.612 5.119 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)n[nH]1 1819409976 GQUGYHOJFDPIPM-QLBRKBSLSA-N 462.619 5.058 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccoc3cn2)[nH]n1)c1ccccc1 1819520486 JSYUGSOWXMDDJO-URXFXBBRSA-N 481.556 5.054 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)[nH]n1 1821921660 WFBFLLXFMIYPCZ-KSFYIVLOSA-N 479.531 5.268 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)[nH]n1 1821922069 YPTARUVDTPUAHM-JLTOFOAXSA-N 484.398 5.172 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1821922441 KABMBWVISNVQBI-UWJYYQICSA-N 471.561 5.669 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1822580822 BNCLFXZWJYAJFW-IBGZPJMESA-N 491.817 5.325 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1822584469 QSYMNCCEMYRNMH-OAQYLSRUSA-N 463.969 5.111 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)nc3)[nH]n2)c1 1823211995 DTPWKEHNHUIBFU-JPYJTQIMSA-N 484.604 5.349 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Br)c3CC)CC2)C1 1823701240 DNPROEFBZHDXRR-HSZRJFAPSA-N 473.455 5.211 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823928976 CCYLQMDXDZVGIG-AFMDSPMNSA-N 461.581 5.308 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)CC1 1824047673 WJKWJDMUOIZUHL-XCZPVHLTSA-N 473.661 5.556 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1824143971 YEAYQNWZOGJKIR-AREMUKBSSA-N 460.622 5.078 30 20 JKED CCc1oncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1826172958 IZDFXEXOBKXAGN-NDEPHWFRSA-N 495.623 5.184 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccs3)CC2)cc(C(F)(F)F)c1 1827160307 PEVSFCLHEYJLQI-JOCHJYFZSA-N 489.563 5.115 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827263857 XVSIBGDNVWXENB-NQIIRXRSSA-N 480.099 5.137 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COCc2ccc(C)c(C)c2)CC1 1827708334 YNUCGJUSPHETCO-SVBPBHIXSA-N 466.666 5.208 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)CC1 1827850357 LGQYZOWHXHYSPY-SIKLNZKXSA-N 463.544 5.102 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)cc2c1 1828123017 KJIHVCMSGNEGPO-SANMLTNESA-N 472.564 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c1 1828190144 DILRDYMIQIMBMZ-CPJSRVTESA-N 469.585 5.607 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1)C(F)(F)F 1828744839 LKWXJYGTXIORBN-LJQANCHMSA-N 467.919 5.173 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1828822935 BTMMPRUXWHMXLH-DHIUTWEWSA-N 489.701 5.068 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2OC)CC1 1828830462 MLZCFSPDQBREMW-IZZNHLLZSA-N 482.665 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1829072034 VGOGBYIOBOWFBQ-DEOSSOPVSA-N 462.638 5.302 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)Sc3cccs3)CC2)c1 1829678982 DHVIFVSATUENSN-JPYJTQIMSA-N 497.686 5.042 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)Sc3cccs3)CC2)c1 1829678984 DHVIFVSATUENSN-MBSDFSHPSA-N 497.686 5.042 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)C(F)(F)F 1829757413 XIYBDTSODBKLFK-NRFANRHFSA-N 494.945 5.082 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830558045 WAIWFRDCKIKBNO-RXFWQSSRSA-N 461.581 5.308 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)cc1 1830628362 JUFZBOUYRDHCII-QFIPXVFZSA-N 461.587 5.107 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2Br)CC1 1830686019 GTMXYOGLEOEBLH-BEFAXECRSA-N 483.397 5.173 30 20 JKED COc1cc(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830722371 GWFWIMHPOVIJEK-RUZDIDTESA-N 480.008 5.076 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830878243 IPKINDBDWVNJMM-HOYKHHGWSA-N 454.014 5.334 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccsc3)CC2)c1 1832633290 APSJLIMSWNMMFE-LEQOFBOASA-N 461.631 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1834465237 YNLTXNLVWWDWRB-WNCULLNHSA-N 481.725 5.380 30 20 JKED C#CCCCCC(=O)N1CCCC12CN(C(=O)c1ccc(F)c(F)c1CSc1ccccc1)C2 1846489109 KNAFEMPOSSFKKM-UHFFFAOYSA-N 482.596 5.268 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 8936690 MRHVEVKWMNJVTA-CPJLOUKISA-N 492.626 5.242 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccccc1C 11166069 GRSIHFLLGMVLND-UHFFFAOYSA-O 454.413 5.658 30 20 JKED N#Cc1ccc(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)c(F)c1 11511872 LUAYZMCVHWTTCK-UHFFFAOYSA-N 469.339 5.652 30 20 JKED N#Cc1ccc(OC[C@H](O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)cc1 15233934 OBYILXYGZOXYSR-SFHVURJKSA-N 498.395 5.040 30 20 JKED Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 16661028 RPJZILOIFLBLJU-UHFFFAOYSA-N 460.534 5.241 30 20 JKED C=CCn1c(SCc2ccc(C(N)=O)cc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 16805651 NCDBADMKPSZAOT-UHFFFAOYSA-N 465.575 5.150 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)N(CCC#N)c2ccccc2)n1-c1ccc(C)cc1 21673723 ARSRUJRSVSKSRN-UHFFFAOYSA-N 483.597 5.290 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(N(C)C)cc2)cc1 22728632 YEBVLCZIMGXQFV-UHFFFAOYSA-O 454.566 5.493 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 23510643 XAXWTIPFOQRDCB-GOSISDBHSA-N 489.551 5.640 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)nnc1-c1ccc(F)cc1 24176883 USAHLDZEPGTNJO-UHFFFAOYSA-N 495.605 5.712 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nc2cc3ccccc3cc2c1=O 24891709 DWNOHDZHRNBXLH-UHFFFAOYSA-N 476.989 5.262 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 108963849 CUVOZZCGLGWPHH-UHFFFAOYSA-N 451.401 5.013 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccccc1F 195568859 IISPKDXJTLPRLK-XMMPIXPASA-N 472.589 6.359 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 303182324 KWIMXNJEZRLNLU-UHFFFAOYSA-N 485.540 6.151 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nc2ccccc21 303375575 UOCVCIJAJWGSDH-VWLOTQADSA-N 451.530 6.089 30 20 JKED CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 498005317 AZTPVRYORLZUBE-JXHRLWIKSA-N 467.013 5.544 30 20 JKED CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 498050949 XIVZTZHCIMEENW-UHFFFAOYSA-N 478.639 5.816 30 20 JKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 498794198 VKHXSQRNEVBKHD-UHFFFAOYSA-N 485.281 6.320 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 500739076 NZWRJWLQXMPMNW-UHFFFAOYSA-N 475.570 5.086 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 502662351 UQKCNKMCFMTDNS-UHFFFAOYSA-N 499.384 5.193 30 20 JKED COc1cc(CCC(=O)Nc2sc(-c3ccccc3)cc2C#N)ccc1OCC(F)(F)F 505059261 JQMPITDJJVQCQF-UHFFFAOYSA-N 460.477 5.808 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(CN(C)C)c2)nnc1-c1ccc(Cl)cc1Cl 506772423 CKPLSFWXIZKMAD-UHFFFAOYSA-N 476.433 5.230 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)cc1 508140382 ALRGSMIONNNUJB-UHFFFAOYSA-N 492.373 5.703 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 508501103 XIYBVYALNSBZBK-INIZCTEOSA-N 453.614 5.465 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 509571220 KXNHHIMUOBAGAV-UHFFFAOYSA-N 469.950 5.052 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1 509677602 YVNKCPFJDSDGQE-UHFFFAOYSA-N 451.551 6.635 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(CN3CCOCC3)c2)cc1Cl 510005990 NMZQSOPZNXCMKL-RUZDIDTESA-N 474.992 5.149 30 20 JKED C=CCN(C(=O)c1csc(Cc2ccccc2)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 512200922 WWMQKSWAVXIJCB-UHFFFAOYSA-N 495.651 5.094 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 516058152 DWVBBDAOPRJHCK-UHFFFAOYSA-N 499.464 5.250 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(CC)cc2)n1 516794502 FAXKKNCPGUFSEM-FQEVSTJZSA-N 470.554 5.225 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(CSc4ccccn4)c3)CC2)c1 517104050 QLBQBFAMMJPSCT-UHFFFAOYSA-N 471.586 5.128 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 517447917 WYFXYWUKVKFBLZ-IRXDYDNUSA-N 498.653 5.154 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 519871647 BJZQEUGRUUTQFR-UHFFFAOYSA-N 470.957 5.531 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 520824904 HJBLEFAMGAUJKZ-MBSDFSHPSA-N 474.586 5.469 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 521096258 XTFVEJBVEZMJNS-UHFFFAOYSA-N 496.464 6.189 30 20 JKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 521735178 ZSLVZNXLFBWDLF-IBGZPJMESA-N 468.582 6.052 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)cc1 523169634 FBMKZKQPDNBHDF-YSZBQJHXSA-N 480.996 5.060 30 20 JKED COc1cc([C@@H](C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OCc1ccncc1 524383951 CZTLNIIJQZHOCZ-LJQANCHMSA-N 483.524 5.204 30 20 JKED Cc1cccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 524563175 DHOMTERFXKBQDL-LJQANCHMSA-N 459.571 5.294 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1 524571630 LGQMPWXNFZIWOI-INIZCTEOSA-N 473.396 5.172 30 20 JKED COCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)c1cccc(C(F)(F)F)c1 553860129 VQVULTLNBMYTCE-OAHLLOKOSA-N 465.541 5.165 30 20 JKED Cc1ccc(-c2cc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)c3cnn(C(C)C)c3n2)cc1 556922837 NZSKYWOIDVUWEQ-UHFFFAOYSA-N 481.556 5.319 30 20 JKED C=CCN(C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21)[C@@H](C)c1cccc(-n2cnnn2)c1 561394151 ILDGXAWEOKQPLL-RXFWQSSRSA-N 480.572 5.112 30 20 JKED C=C[C@H](CC(=O)N1CC(CN2CC(C)(C)c3cc(-c4cnn(C)c4)ccc32)C1)c1ccccc1 584303267 MEEKRCOFIIIKFX-JOCHJYFZSA-N 454.618 5.003 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 588697257 XVEXDJIYZXHXNF-KSSFIOAISA-N 465.402 5.120 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 589748479 MDQICZRRBGVVQE-LJQANCHMSA-N 457.279 5.147 30 20 JKED O=S(=O)(Nc1ccccc1SCC(F)(F)F)c1cccc(COCC(F)(F)C(F)F)c1 590028495 UUTAWGNZEGSTCN-UHFFFAOYSA-N 491.450 5.559 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)n2)cc1 602740590 WYAAKHBJEOLCIK-UHFFFAOYSA-N 490.654 5.723 30 20 JKED Cc1ccc(-c2cc(-c3nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)o3)c3ccccc3n2)cc1 603597649 MUAWGMZFVRUVMG-CLYVBNDRSA-N 485.613 5.795 30 20 JKED COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 603650008 OSAPZSJPZVGNDR-UHFFFAOYSA-N 493.951 5.232 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2)cc1 603654705 AIVSAQAPDLEZBS-UHFFFAOYSA-N 451.530 5.106 30 20 JKED N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c(-c2ccccc2)n1 603937902 CHGAUYMSKHCDIW-VWLOTQADSA-N 471.923 6.027 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)cc1 604438965 SUQMHWJEVVRPJE-UHFFFAOYSA-N 471.582 5.104 30 20 JKED N#Cc1cccc(CNC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c1 608864567 XDEPKPNQVQWNLO-UHFFFAOYSA-N 458.905 5.767 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 608883017 ROSUOQNMCSSCGE-UHFFFAOYSA-N 469.328 5.576 30 20 JKED CC(C)c1noc(-c2ccccc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 609020570 YQYGVZACMXRNOO-UHFFFAOYSA-N 452.514 5.757 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccc(NC(=O)Cc2ccccc2F)c1 609057543 RLNGBOCOPDWVFE-LJQANCHMSA-N 497.526 5.542 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1 609068287 MFXUIUIMTIIXDF-UHFFFAOYSA-N 464.291 5.227 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)NC4CC4)c3)cc2Cl)c1 609073029 RZJSHEXMGBGYIQ-UHFFFAOYSA-N 460.921 5.327 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 609151664 NCYFIHMEZQBRDN-XMMPIXPASA-N 459.933 5.176 30 20 JKED N#C[C@@H](C(=O)c1cccn1Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346764 QBAYINAYBDFPRE-SFHVURJKSA-N 452.366 6.457 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 615706609 DWHWDJICMPFMQM-MGPQQGTHSA-N 483.428 5.095 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)o2)cc1 642282139 OCWTXCNDIMTMRS-INIZCTEOSA-N 454.429 6.268 30 20 JKED Cc1c([C@H](C)NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 642956244 UIISGFGDEDWOIG-UBHSHLNASA-N 480.428 5.590 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/CCc3ccccn3)N(CCCC(C)C)C2=O)c1 726107451 DJDZJTKRFTXWSD-GYRUEZOASA-N 466.651 5.006 30 20 JKED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N(C2CCCC2)C1=O)Nc1cccc2ccccc12 726115043 ULKJCUQQQQIPAR-HZVWYJMBSA-N 472.614 5.049 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccsc2)cn1 726118197 JWERHZHQDYMWJX-QFIPXVFZSA-N 489.626 5.278 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 726393114 LPKIONUNZLALED-FOIQADDNSA-N 494.444 5.056 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1C 726571562 IQMQBULOUVAYJZ-UHFFFAOYSA-O 460.623 5.395 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 727590566 LXQWTRYMPCDQTJ-ZAROTGLESA-N 482.650 5.081 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727628709 WRQOIRHFYJFPQI-UTKZUKDTSA-N 460.603 5.374 30 20 JKED N#CCOc1ccc(CNC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)cc1 727859164 OVNRBLAMTDBSGI-UHFFFAOYSA-N 450.523 5.344 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C[C@H](c3ccccc3)N3CCOC3=O)cc2Cl)c1 728238613 ACGGRPRESLTMMJ-HSZRJFAPSA-N 475.932 5.313 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(SC(F)F)cc1 728420720 IQNWFBXZNSQCBB-GOSISDBHSA-N 472.542 5.019 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2ccccn2)c1Cl 728429953 MCLJEEYKBCDUHP-SUMWQHHRSA-N 477.417 5.058 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)cc1C 728776067 HQDMFUZWLFUVIR-NRFANRHFSA-N 470.545 5.236 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 729370751 WBQBIPVISQOGJG-XMMPIXPASA-N 457.530 5.607 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 729669300 WDKUYXHOPCEMJQ-UHFFFAOYSA-O 486.013 5.627 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)n2)cc1 730692148 UQNPJSGHGUULEW-NLFFAJNJSA-N 476.504 6.093 30 20 JKED N#C[C@@H](C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 730920591 PFOJZPPYZVHRPX-ROUUACIJSA-N 499.379 5.198 30 20 JKED N#Cc1ccccc1COc1cccc(C=Nn2c(S)nnc2-c2cccc(Br)c2)c1 731314688 SOHQCBNAAYYIQM-UHFFFAOYSA-N 490.386 5.329 30 20 JKED CN(CCC#N)c1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1 742724910 XFNGPVFVQSKRDQ-DEOSSOPVSA-N 452.371 5.817 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@H]2CCCO2)c(Cl)c1 745989118 LIYHBSSPTAUGCB-OXQOHEQNSA-N 490.000 5.235 30 20 JKED CCOc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 746687220 STSMNEYDXFEAJI-ALCCZGGFSA-N 493.516 5.113 30 20 JKED Cc1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(C)n1[C@@H](C)c1ccccc1 748782657 BGFGYKSRCRWTAD-NRFANRHFSA-N 463.585 5.097 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 767075643 XWSMBBZJUAHYAB-UHFFFAOYSA-N 457.964 5.009 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2nnc(C3CCCCC3)s2)c1 783681692 REDPRSDGNXZANJ-UHFFFAOYSA-N 477.615 5.441 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 837784794 VPHVDQFYNHTFHK-IERDGZPVSA-N 464.978 5.457 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 912733014 DNSSXGOPDJDBKZ-UHFFFAOYSA-N 484.610 5.268 30 20 JKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 913367577 ONHKJFRVUBSAQT-UHFFFAOYSA-N 476.476 5.768 30 20 JKED CC(C)c1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(C(F)(F)F)cn1 915085154 HJGGXUAVLXRPHA-JOCHJYFZSA-N 489.501 6.317 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 915576895 ACOBZRYHXDRTOG-QGZVFWFLSA-N 495.988 5.454 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)Nc2cccc(OCC#N)c2)cc1C 915711453 ZXHXKORWKJCSCB-UHFFFAOYSA-N 465.557 5.722 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 915737015 HTFIEZSCTSMWBX-NOZRDPDXSA-N 469.541 5.387 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc(F)cc1F)c1ccc2c(c1)OCO2 916120096 NFLIHZZXVSCZDE-UHFFFAOYSA-N 454.498 5.662 30 20 JKED O=C(O)CCCOc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 916154985 CAGDPJGFJZAORG-GDNBJRDFSA-N 463.917 5.732 30 20 JKED O=C(O)CCCOc1ccc(C(=O)/C=C\c2cc(Br)c(O)c(Br)c2)cc1 916155291 RZCQJGLWZCIUEE-BAQGIRSFSA-N 484.140 5.057 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C[C@@H]2CCCO2)C1=O)Nc1cccc2ccccc12 916207374 ZFHQMUBBGTVDJK-MBSDFSHPSA-N 477.561 5.118 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cccc2ccccc12 916217198 HRJZRKDAIUCMPU-HSZRJFAPSA-N 475.570 5.003 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2ccc(C)nc2)ccc1Cl 916400197 VQOFLXWCZCDARS-UHFFFAOYSA-N 490.412 5.008 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916883443 RLDHCUNOMFTGJB-SFHVURJKSA-N 465.296 5.400 30 20 JKED N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccc(SC(F)F)cc1 916888343 WDRLRJCLOPXPTP-INIZCTEOSA-N 459.543 5.671 30 20 JKED Cc1cc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c(C)cc1Br 916904918 FVYHLUWQACLYJZ-CYBMUJFWSA-N 451.773 5.159 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 916906925 FUJLVIUSPVZYHF-JOCHJYFZSA-N 495.560 5.432 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1Br 916911171 WCJGNTNZLLIQMD-QGZVFWFLSA-N 495.329 5.220 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 916926397 ZFUAHGPTADPETF-FQEVSTJZSA-N 480.362 5.217 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)[C@@H]1c1ccccc1OC 917047274 VHBCWHXEZCXUPV-JXQFQVJHSA-N 496.032 5.915 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cccc(C)n3)C2=O)cc1 917665336 WIULGDDXLKIVFM-HSZRJFAPSA-N 458.587 5.167 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H]1CCN2CCC[C@@H]2C1 917697681 ILVOUCPMJFPVEK-ZFGGDYGUSA-N 496.721 5.160 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)c(C)c1 918546468 AMNCGZUEXWOLRO-QJOKQGFGSA-N 470.639 5.121 30 20 JKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCN(c4ccccc4C#N)CC3)[C@H]2c2cccs2)cc1 918575968 VUSKSAYAAIBMQL-YWEHKCAJSA-N 498.652 5.151 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)N1c2ccccc2Sc2ccccc21 919514997 ZKYSCXAZDNGLSW-SFHVURJKSA-N 496.544 6.105 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 919666222 ITEPTLHHCFDLIC-SFHVURJKSA-N 485.392 6.255 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4cc(C#N)ccc4OC(C)C)cc3)ccc12 919863902 ANTZMJLLHJACPM-UHFFFAOYSA-N 468.509 5.592 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 920108513 FJCGYVIULSJRQM-UWJYYQICSA-N 485.544 5.249 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc2c(c1)CCC2 920175488 IQQWLYJHXRFXFD-FQEVSTJZSA-N 475.536 5.564 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2c(C)noc2C)cc1 920358147 YSYVUAIMWVQFLG-HSZRJFAPSA-N 492.601 5.159 30 20 JKED COc1ccccc1-c1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c(O)n1 1537042835 YRUDYCPOFXIAJK-OAHLLOKOSA-N 455.436 5.036 30 20 JKED CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCC1(C)C 1723423106 YJJWMKKOPBMCON-LJQANCHMSA-N 461.614 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CCO2)C1 1779242031 GRVCULZDTVULJP-HKBQPEDESA-N 497.639 5.338 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C5CCC(CC5)N4C(=O)OC(C)(C)C)CCC3)cc2)C1 1785810483 NCDNDUYTECETFC-PBSMCPNCSA-N 493.648 5.265 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCN3C(=O)OC(C)(C)C)cc2)CCC1 1786559458 LVZIOFAMTKPLNX-OAQYLSRUSA-N 469.626 5.122 30 20 JKED COc1cscc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1788826583 OMAKDNXTDXIVCQ-MDZDMXLPSA-N 466.584 5.005 30 20 JKED Cc1cccc(C)c1SCC(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1789646106 SWZSSNRNVWEPGR-LQKURTRISA-N 475.614 5.242 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)cc4F)CCC3)cc2)c1Cl 1790082661 KHOAOSGHQGLYFO-UHFFFAOYSA-N 463.896 5.118 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790090219 LNQBMPNKJMYEHK-UHFFFAOYSA-N 454.979 5.753 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)[nH]n4)cc3)CCC2)ccc1F 1790125184 LQLYLFIQQDVYII-UHFFFAOYSA-N 493.542 5.078 30 20 JKED COC(=O)Nc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1790588307 UNBPJWHHAYACMH-LJQANCHMSA-N 496.567 5.553 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)c(C)cc4O)cc3)CCC2)C1 1790761372 WODSFQOMTCDECW-UHFFFAOYSA-N 469.379 5.177 30 20 JKED COc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc(C)cc(C#N)c4)cc3)CCC2)c1OC 1790796368 LZHOVTCSVYXNLN-UHFFFAOYSA-N 487.531 5.085 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)CCC2)cc1 1791577672 QOGWRJBMVRIEKW-MRXNPFEDSA-N 469.607 5.100 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cnn4c(-c5cccs5)ccnc34)CCC2)cc1 1791727359 HILJZWXXNFEGOD-UHFFFAOYSA-N 497.624 5.399 30 20 JKED C[C@H](Sc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1791835336 PKDHHPDAKNMXCD-IBGZPJMESA-N 470.598 5.076 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)ccc1O 1792124794 IFHBRJGKLCIIOH-GOSISDBHSA-N 469.541 5.089 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2cc(-c3ccccc3)ccc12 1796542136 BLYPYHQICDSPAY-KIHHCIJBSA-N 468.601 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 1800674433 XYMPBHLQKIVGCI-REPLKXPHSA-N 462.516 5.112 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCSCc2ccc(C)cc2)[C@@H]1c1cccnc1 1803090549 VDVHMQXLLKRDQW-IXCJQBJRSA-N 491.701 5.488 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(Cl)cccc2Cl)C3)c1 1803681375 PCMAJXCIZVIRIX-DQEVTTJGSA-N 456.373 5.186 30 20 JKED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccc(OCc3ccccc3)cc1)C(C)C)C2 1804188538 SSZGIHLHZOSTRW-GFQWBHFJSA-N 472.629 5.057 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)C1 1806015164 OCXIQCKCQBACMP-BVAGGSTKSA-N 454.655 5.030 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CC2)C1 1806676827 ITNISHNJGDPWSC-LJQANCHMSA-N 482.612 5.045 30 20 JKED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1806870263 YALCRNZEODQMGQ-LITSAYRRSA-N 474.649 5.365 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)Cc3nc(-c4ccccc4)sc3C)C2)CC1 1806897740 BMVJSUGIQODLMH-HXUWFJFHSA-N 465.663 5.104 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)CC1 1809632434 SVRSZEAPVOWQBT-LWGQKRLESA-N 475.677 5.364 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1810183261 UKTKJKYXDPFXOQ-SGIRGMQISA-N 480.678 5.359 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)no3)C2)CC1 1810375736 PLCKDSBBCSKKQC-JOCHJYFZSA-N 482.024 5.608 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1810493087 VLVOLAFPKFTPIE-SSPYTLHUSA-N 465.663 5.261 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1810495295 LYWWIFXIOCHKEY-NVQXNPDNSA-N 488.607 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccnc3s2)[C@H]1c1cccnc1 1810500296 NYQLUMNOLFURSG-UNMCSNQZSA-N 462.619 5.003 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)ccc3Cl)[C@@H]2c2cccnc2)c1 1811139096 KAEZANKUKPRRGL-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1811763380 IOLSVJVWXDKMFM-KNQAVFIVSA-N 473.539 5.412 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)cc1 1811954157 WGTARWGLXCVEFG-PWKLLNGASA-N 487.625 5.025 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)[nH]n2)C1 1814394001 UVMSWEUUYWCZIY-AREMUKBSSA-N 491.595 5.897 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)n[nH]1 1818161987 JYDZLYSHQKSAQQ-NQIIRXRSSA-N 490.633 5.311 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)n[nH]1 1818869317 XGQNNGQHCJDRIL-ZHALLVOQSA-N 462.928 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)[nH]n1 1819302311 DDJLYGMPDXXZHR-ILBGXUMGSA-N 492.620 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[nH]n1 1819303689 ZOEFIYMDPVISQE-ZQAYVECASA-N 468.548 5.252 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1)c1ccccc1 1819518766 DBZKQCDTHSZJNG-CVDCTZTESA-N 485.613 5.456 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c1Cl 1820217114 CGKAPAYDGSDIKJ-IBGZPJMESA-N 486.334 5.347 30 20 JKED CCOc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1820650801 DERGWKLVYBAYAM-HOYKHHGWSA-N 471.561 5.055 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1820973109 CGFYWMNKSGXUAH-FZKQIMNGSA-N 499.921 5.189 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)[nH]n2)cc1 1821179340 AXLLWMBQFXSGCW-AREMUKBSSA-N 490.567 5.157 30 20 JKED CCC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)n1cccc1 1821276265 HLTJCHZTRZWQII-YADHBBJMSA-N 478.984 5.084 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)ccn1 1821277936 BCPOULVBUCMGIC-OAQYLSRUSA-N 490.995 5.247 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)c1 1821325605 YVVZCFWZDLWAMP-NRFANRHFSA-N 481.478 5.228 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1821919393 UOYPAKNQZWEOGS-CXAGYDPISA-N 457.987 5.191 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)[nH]n1 1822405556 RDXAUDRNESMTJB-JOCHJYFZSA-N 498.505 6.103 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c1 1823217450 SVMZWNUEIONETF-CJAUYULYSA-N 467.573 5.534 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823303583 UOMZNWMLPDPOAG-LJQANCHMSA-N 483.371 5.144 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2)CC1)c1ccccc1 1823625325 AOAMHFNFOUYDTR-JWQCQUIFSA-N 478.036 5.166 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 1823686348 YIRLOZQIQTUNPW-XMMPIXPASA-N 495.570 5.026 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1823811567 INCVGWGNUTVQPN-HHHXNRCGSA-N 457.618 5.158 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)CC2)c1 1824922417 IHUMMUNZZCOTSZ-JIPXPUAJSA-N 487.619 5.418 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1825567261 GBCVREGDSCNINR-QFIPXVFZSA-N 475.077 5.293 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)CC1 1827263548 MSEQQODALWBMIJ-RUZDIDTESA-N 481.040 5.075 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3n2)CC1 1828707189 NWFJUOILIMCFNU-XMMPIXPASA-N 496.449 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1828827255 TYRHUYWAECDXQO-NHCUHLMSSA-N 493.570 5.111 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1828886884 ZCKOJTOQPITSGR-FCHUYYIVSA-N 481.464 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2SCC)CC1 1829068665 JQRFVJONSILJER-OAQYLSRUSA-N 457.684 5.419 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CC2)C1 1829568650 AIIDKPZKBBBPAL-DEOSSOPVSA-N 472.589 5.022 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829646823 CITAISNLJKEKJE-KRWDZBQOSA-N 460.899 5.307 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1)c1ccccc1 1829950143 CVUOLFQZZXSILH-SXOMAYOGSA-N 457.618 5.231 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)CC2)c1 1830100187 YMZGCTKMJKCZQA-IQGLISFBSA-N 465.544 5.139 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(CCCCC)c2)CC1 1830168809 FBZFLEADRCETLP-MHZLTWQESA-N 496.692 5.091 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1830629538 ZTITZCOGCXVKCB-SANMLTNESA-N 490.047 5.371 30 20 JKED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830633328 KGLNANTXGGUFIB-IDISGSTGSA-N 475.608 5.004 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1)C(F)(F)F 1831456317 YFFOMEWCAHOVQM-SFHVURJKSA-N 480.424 5.196 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1C#N 1831791685 SFOIAPVJPWVQJX-IARZGTGTSA-N 499.655 5.382 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1831840753 PJEUPEMSSVGHEM-WMLDXEAASA-N 451.057 5.106 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1831840776 PZHDXNXPAGIFQX-KDOFPFPSSA-N 495.508 5.215 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(F)CCCC=C3F)CC2)c1 1832635736 QEYDHEHMTSLLGQ-AUZMWRNASA-N 469.576 5.293 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832686601 BQSMMLLLVOADNK-NRFANRHFSA-N 471.935 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)CC1 1838354107 XGOHAHLUBODAEI-UHFFFAOYSA-N 486.056 5.426 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(C(F)(F)F)nc4ccccc34)C2)c1 1844124691 HGROPGKZJOBFMW-KRWDZBQOSA-N 492.501 5.011 30 20 JKED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)C2)CCC1 1846779745 BVBMJHKVIHDYTO-UHFFFAOYSA-N 483.490 5.009 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173418 LKNPHDWNCBSTLX-UHFFFAOYSA-O 486.060 6.832 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(C(CC)CC)cc2)cc1 10173993 INHURSNIANCHGK-UHFFFAOYSA-O 481.707 7.006 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)COc3ccc(OCc4ccccc4)cc3)s2)cc1 14621521 DAXHRVKIMJXTAH-UHFFFAOYSA-N 488.594 5.299 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2cccc(C)c2)c(Cl)c1 15248230 GZZKIHBXYYXOSH-UHFFFAOYSA-O 488.858 6.366 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nnc1-c1ccc(Br)cc1 16832694 KNEPHHACLXLCNY-LBPRGKRZSA-N 479.350 5.291 30 20 JKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(CC#N)cc2)cc1 20041283 UIOIBGQEQQTJKX-UHFFFAOYSA-N 483.597 5.054 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 20972949 BQNUXQLXMQYNDI-LBPRGKRZSA-N 460.342 5.101 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2scc(-c3cccs3)c2c1=O 22036590 VILUJOPKIQKZDN-UHFFFAOYSA-N 484.584 5.012 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)n1-c1ccc(C)cc1 22137339 ZEWSBBNUXFJVFU-LJQANCHMSA-N 475.618 5.075 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)n1Cc1ccco1 26489906 SGWXIJIUKNYOEC-LJQANCHMSA-N 478.643 5.652 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 29827698 ZCGRDVNYHHBESH-FPTDNZKUSA-N 489.432 5.171 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 32786530 UHFGAHMQEUGHAL-INIZCTEOSA-N 456.999 5.145 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)nnc1-c1ccco1 45643401 RSNVRFGYPKLXNB-FQEVSTJZSA-N 473.558 5.096 30 20 JKED Cc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)oc2ccc(Br)cc12 72011988 YGHDPTNYQMWUJX-UHFFFAOYSA-N 451.242 5.580 30 20 JKED COCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)sc2cccc(F)c12 303112895 LGVLITWPGLXEFR-UHFFFAOYSA-N 462.502 6.112 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c12 489122140 LDJNWKMJKLQDOU-UHFFFAOYSA-N 463.463 5.020 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(-c4ccc(F)cc4)n3)s2)cc1 491479533 MMLVSOWYEFEIHA-UHFFFAOYSA-N 453.549 5.217 30 20 JKED COc1ccc([C@H]2Nc3cccc(C)c3C(=O)N2CCc2ccccc2)cc1OCCCC#N 493947120 ALQJAFNGDZQTKX-MHZLTWQESA-N 455.558 5.495 30 20 JKED Cc1cc(Sc2ccccc2)ccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 500748165 UEUZZPDQSORSCB-UHFFFAOYSA-N 450.585 5.476 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 502643937 IGSIHZGGNFDVCV-OSPHWJPCSA-N 472.976 6.227 30 20 JKED CCN(C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3)[C@@H](C)c1ccc(C#N)cc1 509565248 UZFUOSUZWNTIBR-INIZCTEOSA-N 480.659 5.380 30 20 JKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(C(F)(F)F)cc1 510244250 UCSHJPWIYDJHBQ-GFCCVEGCSA-N 463.510 5.604 30 20 JKED CCOc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)ccc1OCC(=O)N1CCCCC1 511118229 BBWFUXBBMPSGAQ-UHFFFAOYSA-N 489.597 5.329 30 20 JKED C=CCNc1nnc(SCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)s1 512689311 OZDBCNXUFOGPQS-UHFFFAOYSA-N 471.555 5.588 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 513389638 KGLCCXLORBVKCC-UHFFFAOYSA-N 476.945 5.177 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@H](C#N)c1nc2ccccc2s1 513672415 RITDLROYVULQOW-INIZCTEOSA-N 451.349 5.351 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C 514358701 XOSCLAWNTHTCFB-QGZVFWFLSA-N 484.647 5.092 30 20 JKED Cc1sc2ncnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)c2c1C 514840696 DAFVXUQTACFQKD-UHFFFAOYSA-N 479.606 5.516 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2CSc2nc3ccccc3o2)n1 516794431 CSBKFDQCCIMJQO-INIZCTEOSA-N 463.540 5.243 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 517464810 HNWXWIPVVDTXCG-WZONZLPQSA-N 478.017 5.630 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1 518259890 RUMJMWFDJRIDOI-MAUKXSAKSA-N 463.525 5.696 30 20 JKED CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 520736587 CASNJTJIXLYUTL-XMMPIXPASA-N 497.016 5.587 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 520803170 VXJQUKYLTFMDMH-UHFFFAOYSA-N 489.416 5.242 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 521513492 XWWNDBAZEOAAIK-OAQYLSRUSA-N 485.893 5.611 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 521719586 JANBXUVKTCGNBF-SFHVURJKSA-N 489.626 5.711 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 521719642 IWBJZOMHNDAHPH-IBGZPJMESA-N 497.649 6.188 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)s1 521735005 JRPRNNJUOBEVOK-MRXNPFEDSA-N 453.589 5.069 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2ccc3ccccc3c2)cc1 523212102 YEVUTHLXFXTTBD-UHFFFAOYSA-N 465.509 5.109 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 524173907 RLLBASIKXQEIQK-SANMLTNESA-N 485.971 5.379 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC(=O)Nc1cc(Br)ccc1C 555935150 OZVMIXJDVWTMNF-UHFFFAOYSA-N 470.820 5.199 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)cn2)c1 603622854 ILEYDBNYSBQNCI-NRFANRHFSA-N 481.339 5.296 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604230535 KEVZIWAQGQMJEL-UHFFFAOYSA-N 470.508 5.371 30 20 JKED Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 604365101 LBHXEIUWAGCKAF-UHFFFAOYSA-N 454.574 5.707 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604365126 WAQWAGFJOBWNDN-IYBDPMFKSA-N 471.401 6.254 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc1 604440463 ADANTMYSPCNKHL-UHFFFAOYSA-N 491.616 6.075 30 20 JKED CN(C(=O)c1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1)c1ccccc1 608804683 HCAMLBLIOUFLIZ-UHFFFAOYSA-N 451.482 5.259 30 20 JKED N#C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(OCc2ccccc2)cc1 609028326 VDSACJOWGPVTQX-RUZDIDTESA-N 466.516 5.074 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 609083470 UGECOYLHHWCNEQ-OAHLLOKOSA-N 473.867 5.275 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1C(F)(F)F 609105430 YOEUZGMBNNEBIJ-UHFFFAOYSA-N 494.448 6.042 30 20 JKED Cc1noc(CSc2ccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)n1 609173325 OQZMIJFLWVYRQT-DEOSSOPVSA-N 470.554 5.244 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 609186312 HCZOJQXSKYLLNO-HNNXBMFYSA-N 461.518 5.792 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 609323896 DKELJEURQTZWTH-UHFFFAOYSA-N 458.490 5.882 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609401575 GQCZRABLSSLKSC-CYBMUJFWSA-N 492.548 5.479 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 609403995 AMBARSMXAKYOSD-LJQANCHMSA-N 461.509 5.403 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 609437072 OMEHTPKURFPDJA-AUSIDOKSSA-N 476.671 6.063 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cccc(C)c1C 613425148 ZAULLGIMQWNHNJ-KRWDZBQOSA-N 456.999 5.433 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCCCC(=O)c3ccccc3)s2)c(C(F)(F)F)c1 613857797 XTAQEODIFHADAN-UHFFFAOYSA-N 471.504 6.006 30 20 JKED O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301975 ZOGWNVUGBISUFK-VXGBXAGGSA-N 492.420 5.338 30 20 JKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H](O)Cc1cccc(C(F)(F)F)c1 622485062 CTMAOVFIBFEJNK-GJZGRUSLSA-N 459.308 5.047 30 20 JKED Cc1cc(OC(F)F)c(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)s1 622517477 JTQMZCFKGZNKJE-AWEZNQCLSA-N 489.384 5.909 30 20 JKED O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cc(C(F)(F)F)ccc1F 622559721 HNXFCJRAQAJTQJ-UHFFFAOYSA-N 451.338 5.179 30 20 JKED O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642446899 ZCSQIKWLZQUDLZ-QWRGUYRKSA-N 487.416 6.043 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C\c3csc(COc4ccc(OC)cc4)n3)SC2=S)c1 726627934 VVKUSPCWWWVHHC-UDWIEESQSA-N 464.593 5.118 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 727626356 AUYAOUHBYQMSEM-FQEVSTJZSA-N 468.431 5.658 30 20 JKED COC1CCN(c2ccc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3O)cc2C(F)(F)F)CC1 727972846 HUDHQZCISRMPIK-UHFFFAOYSA-N 457.836 5.338 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2Cl)n1 728422117 BZJKSMWVQAZYJI-QFIPXVFZSA-N 489.988 5.076 30 20 JKED CN(C[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1)C(=O)OC(C)(C)C 728738680 SSVLTGNKTKAAPS-NRFANRHFSA-N 496.583 5.387 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCCCC#N)C1=O 728777758 NVHXEFZYHCHLAD-FQEVSTJZSA-N 470.982 5.003 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c1 728778557 SOJVSZLEDKYFJQ-OAQYLSRUSA-N 452.555 5.097 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCCCC#N)C2=O)cc1Cl 728779050 XAIJBWIEFNBQOV-FQEVSTJZSA-N 488.972 5.142 30 20 JKED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)N1c2ccccc2Sc2ccccc21 729767900 ABZFRZRCLMUIKU-KRWDZBQOSA-N 453.523 5.540 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cn(-c2ccccc2Br)nn1 730995746 SEOHLEKTSBYIHN-UHFFFAOYSA-N 496.312 5.307 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 731031041 PDLMRAGGYBELJU-CEMLEFRQSA-N 486.682 5.273 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)COc1ccc2oc3c(c2c1)CCCC3 731060816 LHJHMQMXGMQHCO-KRWDZBQOSA-N 478.570 5.124 30 20 JKED Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1 731069572 KTMOLHGYVYXJPP-KRWDZBQOSA-N 465.600 5.095 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(F)cc(Br)cc2[nH]1 731072666 BKVKUOZPMZMHDS-LBPRGKRZSA-N 490.354 5.117 30 20 JKED N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 731288494 SDTDUDSAHYUNLB-IBGZPJMESA-N 455.377 5.998 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)cc2F)C1=O 745585055 SNJMKTXCQWTRMJ-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cscn1 747603290 RMVPNEJQPQTBHY-LJQANCHMSA-N 468.579 5.060 30 20 JKED CCOc1ccc([C@H](CNC(=O)c2ccc(C=NOC)cc2)c2c[nH]c3ccccc23)cc1OC 747709661 MWLROADMSYFOOH-QHCPKHFHSA-N 471.557 5.117 30 20 JKED CC(=O)N(c1nc(/C=C2\COc3c(Cl)ccc(Cl)c3C2=O)cs1)c1ccc(F)cc1F 748583898 KSHSGGGXLODFNR-IZZDOVSWSA-N 481.307 6.071 30 20 JKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 791472867 KFWDGYRAKPSDPI-DLULHISCSA-N 495.579 5.086 30 20 JKED COc1cc(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(OC)cc1Cl 800513621 XCUHENLFIASPGA-UHFFFAOYSA-N 496.972 5.317 30 20 JKED C=C(C)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S 814290801 OIVZDSZIYBUXJT-PXNMLYILSA-N 465.350 5.395 30 20 JKED COc1ccc(-c2nc(S[C@H](C(=O)Nc3ccccc3)c3ccccc3)nc(O)c2C#N)cc1 824964236 OTOKMQNIOQNYLK-QHCPKHFHSA-N 468.538 5.202 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(NC(=O)OCC)ccc23)nnc1-c1ccccc1F 825102228 MCSTZCTXAGVYLC-UHFFFAOYSA-N 480.521 5.237 30 20 JKED N#Cc1ccc(N2CCC(c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)CC2)c(F)c1 904480063 RYGXGPXINQNCRD-UHFFFAOYSA-N 478.531 5.529 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@@H](C)Cc3ccco3)C2=O)c1 914690955 JUKXUJSQDHVNGZ-KSFYIVLOSA-N 481.549 5.019 30 20 JKED COc1ccc(-c2nn(CN(C)Cc3ccc(C#N)cc3)c(=S)n2-c2ccc(OC)cc2)cc1 914783137 GUVBHZIACYUGIJ-UHFFFAOYSA-N 471.586 5.049 30 20 JKED N#C[C@H](C(=O)COCc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102801 HRUJQZCNGPAOEP-CQSZACIVSA-N 474.394 6.120 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CC2CCC2)cc1 915110965 GHVYGQQBHHPBCJ-NRFANRHFSA-N 488.009 5.118 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 915860087 HURSOGAZXHOXDY-UHFFFAOYSA-N 468.582 6.482 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCc3ccccn3)C2=O)cc1 916212599 YYJQKKXOYSXWTL-JOCHJYFZSA-N 479.005 5.246 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 916217247 IWWICHDHBIYRGA-SFHVURJKSA-N 484.380 5.129 30 20 JKED COc1ccc2c(c1)c(CC(=O)Nc1cccc(OCC#N)c1)c(C)n2C(=O)c1ccc(Cl)cc1 916409456 DKEKYISDNNGQIP-UHFFFAOYSA-N 487.943 5.384 30 20 JKED Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1C 916847876 XHNZPEZMKVYBAX-QGZVFWFLSA-N 489.626 5.047 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 916907858 NNXZHPIXZRUDND-XMMPIXPASA-N 461.993 5.762 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccc(Br)c4)n3)n2)cc1 916972001 IMQFNIKEURQUDE-LJQANCHMSA-N 494.439 6.424 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)SCC(=O)Nc3ccc(F)cc3)n2)cc1 916974773 PWWOJWZHVUYWCM-BEFAXECRSA-N 453.564 5.194 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)[C@H](C#N)c4nc(-c5ccccc5)cs4)nc(O)c23)C1 917027017 TWHSSMYAMONHHR-PBHICJAKSA-N 474.611 5.454 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)[C@@H](C#N)c4nc(-c5ccccc5)cs4)nc(O)c23)C1 917027018 TWHSSMYAMONHHR-RHSMWYFYSA-N 474.611 5.454 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044812 VIRDIHLWLDBDEN-PBHICJAKSA-N 472.492 5.435 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccnc(C)n3)C2=O)c1 917670234 MXQBAWRYSOSFKG-DEOSSOPVSA-N 487.629 5.179 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)c1OC 917673734 GLOAXADIEDNBSQ-QHCPKHFHSA-N 489.597 5.173 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1ccccn1 917706943 CSGWXBGQKYAGBA-RUZDIDTESA-N 491.576 5.267 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)COc1cccc(NC(=O)c2ccco2)c1 918551277 AGNICFNHUWQVKW-UHFFFAOYSA-N 469.950 5.136 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918733963 BWYIBXUFNDQHLR-HZPDHXFCSA-N 464.479 5.596 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)n(Cc2ccc(F)cc2)c1C 919364946 HIRJNJGEUDDIOF-ROUUACIJSA-N 479.474 5.014 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c(F)c1 919915376 GLWFMOTUWUWPCS-UHFFFAOYSA-N 472.520 5.355 30 20 JKED COc1cc(/C=C2/COc3c(OC)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 920066405 AKKPGMSOIJAQHW-ATVHPVEESA-N 479.916 5.033 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc(-c2ccncc2)cs1 920266851 ACAWCJPTLDNVJS-GBXCKJPGSA-N 476.561 5.006 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3c(C)noc3C)C2=O)cc1Cl 920355500 MZUWLNIMHQYUQC-NRFANRHFSA-N 498.992 5.114 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NN(C(=S)NCc2ccc(F)cc2)C(C)(C)C)cs1 920385592 UGZDBIVCVKVTSP-UHFFFAOYSA-N 483.638 5.476 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804532 UHBORGASHCFPGX-HNNXBMFYSA-N 481.553 5.200 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805532 DCIXRTNISQJJBN-INIZCTEOSA-N 470.497 5.335 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cc1C 920839073 QUORRGJRIALRTL-UHFFFAOYSA-N 454.486 5.145 30 20 JKED C#CCOc1ccc([C@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 921016281 NAXMNKCJXRWLGY-HSZRJFAPSA-N 483.490 5.106 30 20 JKED C#CCCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 1781687680 PHQLWDJYFQCNMD-LEAFIULHSA-N 499.095 5.249 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)c(C)n1 1785797944 XEIRMTPXBUZFMI-UHFFFAOYSA-N 480.612 5.270 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(Cl)cc3)cc2)CCC1 1786018493 FSZNHWGVOSJWOH-HSZRJFAPSA-N 498.023 5.616 30 20 JKED COC(=O)Nc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)c1 1786041603 NYWKFOGBALFNPP-UHFFFAOYSA-N 496.567 5.117 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4c(Cl)c3OC)CCC2)cc1 1786360770 MEIWCRSVKSVLFU-SFHVURJKSA-N 490.987 5.288 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C)o3)cc2)CCC1)NC(=O)OC(C)(C)C 1786494790 DLGJYBJLZMCOQC-OAQYLSRUSA-N 481.593 5.195 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)COc3cccc4ccccc34)CCC2)cc1 1786678763 RVALFMJVVZUAFM-UHFFFAOYSA-N 460.599 5.272 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951131 RYFNYBLYQBBIKV-MPYJOUPCSA-N 469.629 5.692 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3OC(C)(C)CC4)cc2)CCC1 1788496253 UZYKGLZOISFILX-IBGZPJMESA-N 462.590 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(N5CCCC5)ccn4)cc3)CCC2)c1 1788754093 MQTAXYZDJUUNKI-OAQYLSRUSA-N 493.611 5.370 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)CCC2)c1Cl 1788899790 JLJXBZMFEVQBCU-UHFFFAOYSA-N 487.943 5.044 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789075862 ZFLRGRABBBBTLE-UHFFFAOYSA-N 498.970 5.520 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)cc3)CCC2)cc1 1789534002 YSAJNDBUXVPPAC-DSITVLBTSA-N 465.578 5.194 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C(F)(F)F)n4)cc3)CCC2)c1 1789747772 FJGBFKGXBISVKI-UHFFFAOYSA-N 494.473 5.042 30 20 JKED Cc1nc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1789918829 JYZHVFFLBYGKHQ-UHFFFAOYSA-N 462.912 5.116 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c(C)n1 1789965053 KOJSTDMMKNQUFZ-UHFFFAOYSA-N 458.949 5.285 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c1 1790075484 BTURJSNTMYLOPX-UHFFFAOYSA-N 484.943 5.153 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)c4ccccc4)CCC3)cc2)c1 1790076364 IWQLHYDSAKMNCM-LJQANCHMSA-N 453.542 5.118 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cc1 1790083230 XUIUMMFQIJJJPI-UHFFFAOYSA-N 468.944 5.074 30 20 JKED COc1ccc([C@H](C)C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)cc1 1790286721 CQGQHCHAXPATNC-IBGZPJMESA-N 453.542 5.118 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1790564666 KSIXQHSUFHXJOQ-XXKTVHSTSA-N 488.632 5.299 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccc(F)cc4)CCC3)cc2)cc1 1790705235 MBPPOIRXWLLITD-IZZNHLLZSA-N 467.544 5.443 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)cc2)CCC1 1790744815 SVJLAYJBTPIBEJ-GOSISDBHSA-N 497.661 5.120 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1 1791104035 DSLIMFWGKJEOMN-RUZDIDTESA-N 487.625 5.263 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(F)c(F)ccc4c3)CCC2)cc1)C(F)(F)F 1791304554 FKYTZIJRSDBEGU-UHFFFAOYSA-N 475.417 5.379 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)nc4sc5ccccc5n34)CCC2)cc1 1791587431 UKJANZXPCCNUIE-UHFFFAOYSA-N 498.530 5.892 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)CCC2)cc1 1791726665 DTUZGMDSSZUFCD-REWPJTCUSA-N 481.637 5.102 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)C[C@@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204916 LOZLSUNWTXLADS-RKVCDUFXSA-N 469.626 5.026 30 20 JKED COc1c(Cl)cccc1C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792240696 QCMXSRKATQJGHF-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792333833 WXDZZNNTIMRCGR-NKKJXINNSA-N 493.648 5.287 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 1793476509 RUDNRWKIKUDXIE-KIHHCIJBSA-N 497.680 5.191 30 20 JKED O=C(CCCCCCCCc1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798522004 UWFIBSHOXIKBOU-MRBGGKFISA-N 477.649 5.310 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc[nH]c3cc1Cl)C2)c1ccccc1 1798554746 WTUBKWZEFVFCHT-BJESRGMDSA-N 474.004 5.270 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]4CCCC[C@@H]42)C3)ccc1Br 1800632173 GUWZZSKSZXRWNZ-WABZUUDDSA-N 498.465 5.179 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 1802119315 QYQSDVBDHITNIJ-OXCBMLQPSA-N 485.628 5.140 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1803092000 IANXOVWMJIONAI-RPLLCQBOSA-N 491.607 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2cc(F)ccc2Cl)[C@H]1c1cccnc1 1804054021 ZATOHQGXHMAYNN-YADARESESA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cn4cc(C(F)(F)F)ccc4n3)CC2)C1 1804861957 DNBNYGGBGSHNPU-UHFFFAOYSA-N 490.570 5.190 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c4ccccc4n4ccsc34)CC2)C1 1804865132 CXVVPSBQLXBQHI-UHFFFAOYSA-N 477.674 5.991 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)C2)CC1 1807659852 PWNCVHGPWDUZFB-UHFFFAOYSA-N 497.561 5.204 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(F)c1F 1810276671 IFKHMVUMZALYJX-LVXARBLLSA-N 497.662 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2ccc(F)cc2F)[C@@H]1c1cccnc1 1810492093 IZLJFSIXMSGGLU-NTKDMRAZSA-N 487.616 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810503201 OUYOKOVGZYMZDE-KNQAVFIVSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)[C@H]1c1cccnc1 1810504001 VATIAPVXXUZNRK-RJEBUIQKSA-N 475.633 5.192 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c1 1811712353 CIGWITXWUUUBRS-IUBQTAPSSA-N 490.966 5.135 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1811768285 NMFKNLCVOBOFCT-NFBKMPQASA-N 471.523 5.188 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812590292 GYLOLUYBHMEREB-WDUKFBBWSA-N 464.368 5.059 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[C@H](C(C)C)CC3)[C@H]2c2cccnc2)c1 1812792881 HPDVATSRQOBCJZ-LYPIBBCQSA-N 472.633 5.044 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813952757 CIGPHARJXPAXAM-NXCFDTQHSA-N 473.642 5.023 30 20 JKED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CCCCCCCCc3ccccc3)[C@H]2c2cccnc2)CC1 1814149257 SPKPCXORMCTCDY-XTEPFMGCSA-N 486.660 5.365 30 20 JKED CCSc1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1814355102 UPFOZBTWKKSPBJ-NRFANRHFSA-N 497.741 5.274 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cc(Cl)ccc3Cl)[nH]n2)C1 1814396277 BUGGJNBDHHBMOV-HXUWFJFHSA-N 461.393 5.308 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C)c4ccccc34)[nH]n2)C1 1814398046 IMJWVKYTHDPQLC-VWLOTQADSA-N 456.590 5.462 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)ccc2c1 1818527919 YXJNDTHBAKULHJ-AREMUKBSSA-N 492.583 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)[nH]n1 1819554509 DKFQUOXTIMKMAO-HXUWFJFHSA-N 465.623 5.626 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc(Cl)c(Cl)c3)n[nH]2)c1 1819743212 OWKFQEIFPISQKO-XOBRGWDASA-N 497.386 5.358 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820219312 OHAHMTYYKMJATC-NRFANRHFSA-N 494.020 5.341 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C2CC(F)(F)C2)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821150811 NMUUWIVFLAZCDO-XMMPIXPASA-N 488.538 5.161 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)[nH]n1)C(F)(F)F 1821991966 DLTUTRLLOXPRIY-AWEZNQCLSA-N 454.518 5.193 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1822384945 SJNXRBJVRJFKHL-AUUYWEPGSA-N 479.631 5.244 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)ccc(F)c1F 1823199588 DKIHEKLPGDBWHP-IBGZPJMESA-N 483.906 5.141 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)cc3F)n[nH]2)cc1 1823303887 CIPPMLPLHFNZPK-FQEVSTJZSA-N 486.334 5.347 30 20 JKED Cc1ccc(S/C=C/C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(CC#N)cc4)sc3C2)cc1 1823499178 YVEQXTFEUYQYFR-UPTIQUDWSA-N 488.638 5.049 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)c2ccccc12 1823890461 XBOQRUMMNQOPCT-SANMLTNESA-N 459.634 5.250 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cc(C)ccc2C)CC1 1824139754 QJZNSKKADXJHBK-VWLOTQADSA-N 452.639 5.070 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)CC2)c1Cl 1824328763 TVIVDSUMDMTRSF-OAQYLSRUSA-N 477.983 5.270 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824858250 PYQBZZOIEMQYMK-AZGAKELHSA-N 470.705 5.368 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(F)c3)CC2)CC1 1824921361 WJURRUNFVHRTOP-DQEYMECFSA-N 452.614 5.245 30 20 JKED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c3ccccc3n3ccsc13)CC2 1825124098 AOSYQFJWKCMXMD-GJZGRUSLSA-N 464.616 5.049 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(C)oc4cc(O)ccc34)CC2)c1 1828220868 SWDYQCQRACIZPG-VWLOTQADSA-N 485.584 5.174 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 1828823350 FJKFOABBGJQIAC-ZCYQVOJMSA-N 461.606 5.343 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(O)c3cc2OC)CC1 1828831478 UZPVBGYPMCNFJN-OZXSUGGESA-N 490.644 5.556 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1828905110 HOWSJHWZFCASMV-QFIPXVFZSA-N 495.662 5.318 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1829065749 AATBYTCFOTVQLN-HXUWFJFHSA-N 468.560 5.833 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2OC)CC1 1829068941 ZNDBQEZTAIWXON-NRFANRHFSA-N 462.581 5.199 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1829455013 WKCSTZZUJNDPMP-LJQANCHMSA-N 476.429 5.474 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829571098 XNPMXXNDRKDDNK-HSZRJFAPSA-N 491.657 5.376 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705659 NYVLIHSKYKBDRZ-SXOMAYOGSA-N 492.635 5.299 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829955072 CKWLHSPRUJEIFJ-PGRDOPGGSA-N 467.660 5.034 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1830411022 KKGOXKREDGXAID-YNJKOYDBSA-N 490.088 5.500 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c(Cl)c1 1830723271 ZIRBBINPAGZLSM-QHCPKHFHSA-N 471.935 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1830792495 FSMBLWHABLSAJC-QPPBQGQZSA-N 473.608 5.033 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C1 1831059112 DGUHRQPXCGOJDH-NRFANRHFSA-N 467.591 5.009 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177865 IXXARTPURKXWGF-JIPXPUAJSA-N 473.617 5.007 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1831446237 WUEORFFHCSQOFE-HSZRJFAPSA-N 467.560 5.193 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1831446769 QQUGWZYTWJEKMC-HSZRJFAPSA-N 489.607 5.178 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1831447671 ZYQWLCQUMISIQS-XMMPIXPASA-N 467.560 5.193 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1831849346 UQCVYWQAQXQUPZ-VWLOTQADSA-N 492.660 5.677 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cscc2C)CC1)c1ccc(O)cc1 1831924772 VEVQOHUQDNSYQQ-OZXSUGGESA-N 478.658 5.193 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1832633611 LSPWSDAVYSMWBH-IDISGSTGSA-N 496.611 5.516 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1F 1832635324 ABTJDSOVYBHOBM-CYFREDJKSA-N 479.571 5.447 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)c4cccc(C#N)c4Cl)CC3)CC2)CC1 1836129494 NBMXUTSPZMQRQX-MEMLXQNLSA-N 499.099 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccc3cc(Br)ccc3c2)C1 1844008031 XXXPSHVLADATTA-UHFFFAOYSA-N 467.407 5.188 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)C(C)(C)c2ccccc21 9396096 OWWSMZUNTMVWQZ-UCHNXLLDSA-N 492.620 5.236 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1Cl 11149508 WTUJTCBZHWZSBS-UHFFFAOYSA-N 491.444 5.587 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1Cl 14805927 DBAVACSRZDAVKW-UHFFFAOYSA-N 459.962 5.114 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 14872542 VPNMOYSLTRTUAF-UHFFFAOYSA-O 465.904 5.885 30 20 JKED Cc1ccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1NC(=O)c1ccccc1F 31758223 BIFLNAPETDNZKS-HUUCEWRRSA-N 490.419 6.026 30 20 JKED C=CCn1c(SCc2noc(C)n2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 58391926 IVKGQCVYDCJMQY-UHFFFAOYSA-N 454.559 5.638 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc2cc(Cl)ccc2s1 71951673 ILBVABQKIMTFPE-HXUWFJFHSA-N 485.952 5.278 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1SC 112533083 CQHUFVVODWXIRL-GOSISDBHSA-N 467.934 5.886 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccn2)C(C)C)c1 117549760 URVBYOKOWSDVJD-UHFFFAOYSA-N 484.021 5.167 30 20 JKED N#C[C@@H](C(=O)c1cc2sc3ccccc3c2s1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 195651672 MSPAMOXGTMBVNS-ZDUSSCGKSA-N 461.593 5.783 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1Cl 409796735 TWDQVXUDARSSQJ-NRFANRHFSA-N 465.380 6.336 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccc(SC)cc1 480402735 JFJJVOXKZYRWGM-JOCHJYFZSA-N 491.569 5.507 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1)c1ccccc1 486077215 SVFWNSORAXJPBO-HHHXNRCGSA-N 467.569 5.265 30 20 JKED Cc1noc(C)c1CSCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487387697 MGIRCXVIBZUCJQ-UHFFFAOYSA-N 466.510 5.101 30 20 JKED C=CCc1cc(CNC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc(OC)c1OC 497321565 DILCMNBLQJETIQ-UHFFFAOYSA-N 469.541 5.388 30 20 JKED CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 499447822 NZJJDJGCMZZYKK-UHFFFAOYSA-N 462.571 5.103 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 500004225 KPEGURJTNRCSAO-UHFFFAOYSA-N 457.917 5.065 30 20 JKED CCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)[C@@H](C)c1ccc(C#N)cc1 500142832 OXITUJWLWBBUAM-INIZCTEOSA-N 457.917 5.236 30 20 JKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2)C1 502638507 WFGRVTFWYKFZNE-IBVKSMDESA-N 474.605 5.536 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C)n1CCC1=CCCCC1 502818668 XMAPXVXQZWOALW-UHFFFAOYSA-N 492.417 5.827 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)n1 503224088 HOWOEBRWSOOXKO-ZDUSSCGKSA-N 490.532 5.714 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC)c1nc2c(s1)CCCC2 504410680 HKWGMRLDPXBGFW-QGZVFWFLSA-N 467.664 5.563 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(OCc3ccncc3)cc2)cc1 505644456 AXTWJKIQKWYCOM-UHFFFAOYSA-N 451.482 5.585 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NC[C@@H](c3cccc(Cl)c3)N3CCCC3)s2)cc1 510255371 NZWQZNDGHXYEOG-FQEVSTJZSA-N 499.065 5.314 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 511098887 OWCODVGOXGESII-XRKRLSELSA-N 468.597 5.390 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 512840804 OQEOPCZUTPKXNC-UHFFFAOYSA-N 452.514 5.130 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1cccc(Cl)c1 513809777 PSPXQXUTIAHXNE-UHFFFAOYSA-N 486.000 5.898 30 20 JKED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(OC[C@H]2CCCO2)c1 513879002 XHRLBMMLHOZMPN-RUZDIDTESA-N 473.548 5.798 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c3c(C)noc3n2)c(C)o1 515447824 INGORSGKDFMTGI-UHFFFAOYSA-N 491.507 5.784 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1c1cccc(F)c1 518157794 BWUMMYLKUUEFEK-SFHVURJKSA-N 465.472 5.152 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 518239434 CLUUQXIWPUFZED-IBGZPJMESA-N 499.702 5.418 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)O[C@@H](C)C2 519384306 MZCFQWZEFMLXRT-SZJUTTIESA-N 497.595 5.731 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1)c1nc2c(s1)CCCC2 520435301 DWVBMNOITVIYLI-UHFFFAOYSA-N 470.602 5.169 30 20 JKED Cc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)CN1CCCCC1 520851424 SSYQYQBLTKVNDK-IBGZPJMESA-N 493.677 5.061 30 20 JKED COc1ccc(CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[C@H](C)C2CC2)cc1 520908233 XBFMLQJBBIZOQN-MRXNPFEDSA-N 479.631 5.543 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc2cc(Cl)ccc2s1 520942797 ONBSVVRABJFOON-CYBMUJFWSA-N 453.932 5.334 30 20 JKED N#C[C@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1cccc(Cl)c1Cl 521293413 PUWKVTOLLQAMMA-UHYCVJNDSA-N 450.410 5.320 30 20 JKED N#C[C@H](C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 522489423 WDCVHQYDMISPTK-ULYJJNKVSA-N 498.534 5.095 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3cccc(Br)c3)C3CC3)o2)cc1 524378893 KFIQAIKELHXMRH-UHFFFAOYSA-N 451.320 5.298 30 20 JKED Cc1ccc(NC(=O)[C@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(Br)c1 557150758 BOSWVAXULDAJJV-INIZCTEOSA-N 450.336 5.861 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccc(Br)cc3)o2)sc2c1CCC2 589904573 DRKDBFLYZHVPIA-UHFFFAOYSA-N 475.393 5.042 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(Cl)cc1 589915392 AJCKWNHPDYOQRY-UHFFFAOYSA-N 458.012 5.161 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1 603502194 XYQIMVIXAOTDDV-UHFFFAOYSA-N 490.766 5.027 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 603568057 GGXHQGCOQDHOCP-UHFFFAOYSA-N 476.540 5.059 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 603759237 ZGFKFLPLKNSFHU-QHCPKHFHSA-N 482.005 5.277 30 20 JKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)cc2Cl)cc1 603987036 JDNXZISEQDVNHM-UHFFFAOYSA-N 475.913 5.524 30 20 JKED Cc1ccc(-n2nc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c3c2CCC3)cc1 603995878 PUSYPWZQDMRJTK-UHFFFAOYSA-N 461.525 5.046 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)n2)cc1F 604117221 NGZUPFJUALCHJE-UHFFFAOYSA-N 470.504 5.401 30 20 JKED CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604138861 PUTILUSXXFGMHD-SBUREZEXSA-N 461.949 5.210 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 608796059 CKVFNWJUQNLZTE-MRXNPFEDSA-N 497.473 5.536 30 20 JKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 608915590 OGZZMMKOLSDWNY-BGYRXZFFSA-N 492.620 5.421 30 20 JKED CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609088848 KZXDTUTXJYERLQ-UHFFFAOYSA-N 482.367 5.431 30 20 JKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609123740 QHXJVBJXCPTIQK-WNCULLNHSA-N 473.548 5.908 30 20 JKED N#Cc1c(CCCNC(=O)Nc2cccc(Sc3ccccc3)c2)nn(-c2ccccc2)c1N 609398432 PTPHFFXXIBNLQD-UHFFFAOYSA-N 468.586 5.232 30 20 JKED C=CCN(C(=O)c1cc2c(Cl)cccc2s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614252963 ADALYLMVGNUOFJ-UHFFFAOYSA-N 489.043 5.915 30 20 JKED O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1cnn(-c2ccccc2F)c1C(F)(F)F 641921975 IQQYIRNYNXXZEJ-UHFFFAOYSA-N 474.361 5.911 30 20 JKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642157796 KVVGJBYGUWHXPQ-GHMZBOCLSA-N 470.360 5.578 30 20 JKED COc1ccc(C(=O)Nc2nc(CC(C)=NN=C3c4ccccc4-c4ccccc43)ns2)cc1OC 725796998 APFWXROMBWQQCF-UHFFFAOYSA-N 497.580 5.244 30 20 JKED CC[C@H](C)C(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)C1 726322741 XBBDZVMRRVVMFW-DTRFGCOSSA-N 453.652 5.072 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 726420146 HKFMIJJBDBLWIM-PDNRQDKUSA-N 498.586 5.148 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C[C@H]1CCCO1)c1cccs1 726420573 ITFKARANDVASBA-FWNYCBGHSA-N 493.654 5.470 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 726571119 DXZLXGHOGFITDM-UHFFFAOYSA-O 451.915 5.039 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3sccc3NC(=O)c3ccncc3)cc2)c1 728033234 VPKFXTPJBMRWIN-UHFFFAOYSA-N 454.511 5.098 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CCCCC#N 728776755 FCFLTHXWKXGUOR-DEOSSOPVSA-N 470.598 5.802 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 728819683 DHGNGJWBIBEVSD-UHFFFAOYSA-N 479.371 5.447 30 20 JKED CN(CC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1)C(=O)OC(C)(C)C 729038304 NAFCUADLZVYOIF-UHFFFAOYSA-N 464.566 5.461 30 20 JKED C=CCn1c(SCC(=O)N2CCc3c(C)cccc3C2)nnc1-c1ccc(Cl)cc1Cl 729412063 MIRLEQPDKOWCFG-UHFFFAOYSA-N 473.429 5.423 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccc5c(c4)OCCO5)nc4ccccc34)CC2)c1 729416340 KZGGUHFHHNETJO-UHFFFAOYSA-N 491.547 5.228 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(OC)ccc3OC)C(=O)N2Cc2ccco2)c1 730526580 HNZWHAHCNFFNFG-QHCPKHFHSA-N 493.585 5.020 30 20 JKED COc1ccc(Br)cc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730583430 GQGDLAPIJZNPCF-UHFFFAOYSA-N 488.194 5.106 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cccs2)C1=O)Nc1cnccn1 730715615 IVNQUDXLNCXMGZ-MRXNPFEDSA-N 492.413 5.005 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730716338 VODUMKZYMYOEPD-OFNKIYASSA-N 492.004 5.242 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(Cc2cocn2)C1=O 730727592 SJBTYXUUMNEHNP-QFIPXVFZSA-N 496.564 5.071 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 731114131 GMVODOBTQBZKKE-VQIMIIECSA-N 458.425 5.940 30 20 JKED N#CCOc1ccc(CSc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)cc1 731158232 XXAAUSBTOPBUQX-UHFFFAOYSA-N 460.584 5.058 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc(F)ccc2F)c1 731306283 AFAQTLCGLYFHGG-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)CCc2ccco2)c1 731308793 PPJMVQSULZSESN-JPYJTQIMSA-N 477.586 5.275 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1cccs1 731308975 PAVKSUBJDDOFIE-KSFYIVLOSA-N 495.626 5.054 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2nccs2)c1 747599537 KFTLLVYFWHEKOJ-LJQANCHMSA-N 485.034 5.308 30 20 JKED CC[C@](C)(C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1 749613423 VEMLNCSMHTYLOW-RUZDIDTESA-N 499.995 5.297 30 20 JKED CC(=NOCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 813874373 AFKODWDPSBRCGD-UHFFFAOYSA-N 460.790 5.483 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 837363252 QDMBLKYLWQNEIR-DVECYGJZSA-N 488.613 5.429 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1C 837402700 SYEBYVSRHVYQEC-WZONZLPQSA-N 476.577 5.559 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC)cc3)N(Cc3cccs3)C2=O)cc1 838080536 RGVHRIUBUYMSJI-QFIPXVFZSA-N 495.626 5.316 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(F)c3)no2)nnc1-c1ccc(Cl)cc1Cl 904538271 OQZCVPBINFSYQO-UHFFFAOYSA-N 462.337 5.919 30 20 JKED O=C(NC1CCN(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 914504013 IXRZJDIGUWIZFO-BHQIHCQQSA-N 488.403 5.298 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 914548919 VQWOUNBGVXUTKM-LJQANCHMSA-N 471.554 5.495 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)Cc1cccs1 914690513 XYHNPLZYUYJBCB-FDDCHVKYSA-N 493.654 5.026 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](c1ccc(CC(C)C)cc1)c1cccs1 914831531 MSYUXHATEFLCFN-SANMLTNESA-N 471.630 5.316 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 915087932 YLROKQPJJYOQDX-ABYGYWHVSA-N 473.576 5.986 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(C3CCCC3)C2=O)c1 916207870 NRVOZBIZHXZGEO-HSZRJFAPSA-N 481.618 5.224 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cccnc2OC)ccc1Cl 916395557 UPYCLCDZLFXRKG-UHFFFAOYSA-N 492.384 5.031 30 20 JKED N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 916883011 FFMFSLLZFVIDFB-JOCHJYFZSA-N 450.510 5.871 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccc(SC(F)F)cc1 916888378 WRYCGGGGZUEBKR-MRXNPFEDSA-N 459.449 5.076 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 916903469 OJVMDSSNDIBWIV-FQEVSTJZSA-N 496.036 5.183 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)nc(O)c2c1C 916915753 ILLJCTKEPMGMRS-MAUKXSAKSA-N 490.610 5.136 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)sc2C)cc1 916928690 RDZPDJLVZSCZJO-KRWDZBQOSA-N 459.354 6.000 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 916943246 UBEOMYBXSBQTBP-FGZHOGPDSA-N 480.351 5.202 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1 916947132 DURCQFIEVPWRNZ-AXHNFQJDSA-N 496.658 5.497 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)n2)cc1 916975167 VWSMTEBUXZIVHP-LEWJYISDSA-N 461.587 5.431 30 20 JKED CCOc1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916977486 SPEVBXQZHDLVGU-WMZOPIPTSA-N 465.962 5.092 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc2ccccc2n1C(F)F 917039824 DOZKOPGTIRLVBV-HNNXBMFYSA-N 487.329 5.736 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 917042622 HIOVLQVUDLZWCV-OAHLLOKOSA-N 477.920 6.511 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 917504409 CFGUYVUEUPKGAM-DLBZAZTESA-N 454.592 5.226 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccsc3)C2=O)c1 917668519 AKMZRLDSHDXJTD-QFIPXVFZSA-N 495.626 5.234 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccs1 917703107 LRXLYTIOBBRSEH-FQEVSTJZSA-N 482.537 5.058 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(F)c(Br)c2)cc1 918035941 PJUMDHPYFPNAFH-FQEVSTJZSA-N 452.327 5.608 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 918983110 VACUAYDNWDRMHT-MVZIDQBPSA-N 477.323 5.082 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 919636962 CMAWRZYACGDXLN-LJQANCHMSA-N 455.725 5.104 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)COc1ccc(C2SCCCS2)cc1 919893287 DCJWPSHHLPMJOE-UHFFFAOYSA-N 476.623 6.545 30 20 JKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3csc(COc4ccc(OC)cc4)n3)c(=O)oc2c1 920064444 SRASPHGFPRGNNS-NTUHNPAUSA-N 490.581 5.579 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-])c1ccccn1 920109833 JSKPQRGUCATGPG-UTKZUKDTSA-N 479.496 5.277 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(COc4ccc(C)cc4)n3)n2)cc1 920140746 BIFRUSWSZAJAKQ-OAQYLSRUSA-N 475.595 5.582 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1c(C)noc1C 920355007 GYABTYZCTSGVSP-JOCHJYFZSA-N 498.555 5.293 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(Cl)cc2)no1 920357314 XJGHHQUGYAHEAC-IBGZPJMESA-N 489.384 5.450 30 20 JKED Cn1cc(C=Nn2c(S)nnc2-c2ccccc2Br)c(-c2cc3ccccc3o2)n1 920366536 RUVRLFOQKMUMLI-UHFFFAOYSA-N 479.363 5.025 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(C=NNc2cc(F)cc(F)c2)cc1OC 920376882 XSLGLNZWDVDCLI-UHFFFAOYSA-N 475.879 5.099 30 20 JKED O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 920837468 WXDULYZSXYXWHM-RKDXNWHRSA-N 461.371 5.050 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 920870134 GVSLBIHNGSTHDE-JPYJTQIMSA-N 461.587 5.083 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)cc1C 920894854 XYAQTASQOVUIHN-UHFFFAOYSA-N 495.461 5.105 30 20 JKED COc1cc(/C=C2\Cc3cc(C)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 921264745 XZXGUCFZOXUBMY-XDHOZWIPSA-N 481.470 5.862 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc(Cn5ccnc5)cc4)CCC3)cc2)C1 1785806884 NJRJZPKBQLWGFW-KPKJPENVSA-N 466.585 5.045 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C)c(F)c3)cc2)CCC1 1786334347 WRECJOBXDCWDJN-IBGZPJMESA-N 453.558 5.002 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1786367634 ZPOINYWTVARIJF-UHFFFAOYSA-N 465.981 5.552 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)no3)CCC2)cc1 1786548261 QIRXWERPUIKXTN-HXUWFJFHSA-N 496.608 5.015 30 20 JKED COc1cccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)[C@H](C)ON=C(C)C)CCC4)cc3)c[nH]2)c1 1787037547 SNDYMBWKSIFLQU-IBGZPJMESA-N 488.588 5.239 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5C(F)(F)F)[nH]n4)cc3)CCC2)CC1 1787155562 ODGCZQSYFCMHLE-UHFFFAOYSA-N 493.489 5.147 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650770 PZEVGNXFRGWAMN-HUXYGNSESA-N 474.582 5.626 30 20 JKED Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)s1 1788865170 JBCZZPHAIHKIQI-UHFFFAOYSA-N 450.951 5.038 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4nc(Br)sc4c3)cc2)CCC1 1789340781 FLAKPQLCHAXWSX-LBPRGKRZSA-N 490.448 5.125 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COCc3ccc(OC)cc3)CCC2)cc1 1789458151 NJRBMDQUFJLOLS-RUZDIDTESA-N 462.590 5.114 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3Br)cc2)CCC1 1789823502 GNYIYSVTBHUIJU-LJQANCHMSA-N 468.395 5.360 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)s4)cc3)CCC2)cc1C#N 1789862750 CPSKVYOAIPIKRX-UHFFFAOYSA-N 495.004 5.517 30 20 JKED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)CCC1 1790228004 GMVXLQLVYPGMEM-ZCXUNETKSA-N 495.579 5.085 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cnc5[nH]ccc5c4)CCC3)cc2)c(Cl)c1 1790767779 KURZAUOYXQIUMY-UHFFFAOYSA-N 497.986 5.468 30 20 JKED Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)c5n[nH]c6ccc(C#N)cc56)cc4)CCC3)ccc2[nH]1 1790836549 MHQPXZKNDRCEFO-UHFFFAOYSA-N 488.551 5.286 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3ccc(Cl)cc3OC)cc2)CCC1)C(F)(F)F 1791151787 NFWCOMBEINQTMB-UHFFFAOYSA-N 466.887 5.144 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(Br)cc34)CCC2)cc1 1791587672 CTXINSGSTQBQLE-UHFFFAOYSA-N 452.352 5.254 30 20 JKED CC(C)N1CCC(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)CC1 1792122579 CDRMAIHQDCINMR-OAQYLSRUSA-N 472.633 5.182 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(CC#N)cc2)cc1 1800543381 PJHRGHMMSOLLHL-OOSCYNTBSA-N 463.581 5.294 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2c2cccnc2)C1 1802419308 ZSWLPYCXPZIVKB-YCRPNKLZSA-N 478.807 5.328 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1Cl 1802732294 VSLVWIXJLUZEFT-LUPFDQBXSA-N 487.003 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1803089875 SCNVMCZXWAGOMY-FXVJXKIMSA-N 477.624 5.435 30 20 JKED Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)c2ccccc12 1803687806 SEZDNQXZCHBXPC-ORZNUPDKSA-N 479.624 5.660 30 20 JKED CC(C)[C@H](C(=O)N1CCC2(CCCN(C(=O)CC#N)C2)CC1)c1ccc(OCc2ccccc2)cc1 1809025575 WISNLRCEPMRAPJ-NDEPHWFRSA-N 487.644 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1809551696 FROGNCOXGRMQCG-WJNCPCKPSA-N 480.052 5.537 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1810271717 JHNAAPSERIYNIY-RPLLCQBOSA-N 487.676 5.199 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(Cl)cccc3Cl)[C@H]2c2cccnc2)cc1 1811361586 LGSDHCAKNQPYHA-RDPSFJRHSA-N 493.394 5.088 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c1Cl 1811418506 XTLIXYBBENAJLT-SBUREZEXSA-N 497.357 5.033 30 20 JKED C[C@H](CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811749412 WKPCXTNABFAFGG-HEXNQTKTSA-N 487.003 5.120 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812584960 XKQUFUISMODVOL-JFTIDPPCSA-N 468.041 5.393 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)[C@@H]1c1cccnc1 1812591629 KXAZVYTWPGCNNS-QRRVGDGBSA-N 484.625 5.376 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1812671460 BZXDAXGPGUVUNL-JXFKEZNVSA-N 482.358 5.228 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cccc3ncccc23)[nH]n1 1814440309 QBUVXVDKBZGBDQ-QHCPKHFHSA-N 459.594 5.185 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)c2[nH]1 1814738429 CRHXGRZCFOWKHL-XMMPIXPASA-N 480.572 5.010 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)c1 1814740735 PQRMNRAMMBWWJY-QFIPXVFZSA-N 495.505 5.239 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c(O)n1 1816240110 CQLOCZFFQMRMGN-XMMPIXPASA-N 485.588 5.126 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1 1816826776 GFRSHFQNMUBBAQ-AREMUKBSSA-N 477.568 5.292 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2occc2Br)n[nH]1 1818201087 GVADCRCWGCCEMJ-MRXNPFEDSA-N 463.376 5.064 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1819305249 FTYGLSINJLJODX-PBHICJAKSA-N 450.461 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)[nH]n1 1819311098 LGJZOUWVNCGHLN-UWJYYQICSA-N 456.974 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)n2)[nH]n1 1819555434 GOKUJJXCAUANBY-KRWDZBQOSA-N 463.504 5.122 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(C)noc1-c1ccccc1)CC2 1819599197 AOSIKQKOYJOVHS-MOPGFXCFSA-N 476.602 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)ccc2O)n[nH]1 1820461335 PPOWHPAWPXMVTM-SFHVURJKSA-N 489.414 5.176 30 20 JKED Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)o1 1821150966 ANVIOQCSKOOMCG-VWLOTQADSA-N 493.567 5.034 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3[nH]c4ccc(Br)cc4c3C)n[nH]2)C1 1821611960 OPEVLQMVGKMTIM-HXUWFJFHSA-N 496.409 5.234 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(OC)cc2OC)n[nH]1 1821854259 MTHVXLKUQPQWHW-JOCHJYFZSA-N 482.625 5.044 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1 1822281942 FWMNUBXTUITVNA-HXUWFJFHSA-N 476.593 5.245 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)n[nH]2)C1 1822342541 SARHNHNHHKPOPF-HXUWFJFHSA-N 472.511 5.119 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCc2ccc(F)c(Br)c2)[nH]n1 1822404459 UPKXEMSETHIILG-FQEVSTJZSA-N 491.405 5.293 30 20 JKED CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCC1 1823709650 MBVHXXOMVBUZCN-OAQYLSRUSA-N 461.528 5.001 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)cc1 1823935928 SLDADPNYZNVOLD-VWLOTQADSA-N 481.999 5.217 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1824053756 FCFQBPICGISKPZ-VWLOTQADSA-N 495.570 5.026 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1824240699 BLGNTCDMHBSQQZ-WUFINQPMSA-N 471.645 5.426 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1824502816 YRERJBRHTYAQNH-NDEPHWFRSA-N 490.644 5.695 30 20 JKED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)CC2 1825130005 GLCLGNGIKNYAKR-WBVHZDCISA-N 474.586 5.322 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)s2)CC1)c1ccc(O)cc1 1825352118 QRXIVPHFKYNRHZ-JTHBVZDNSA-N 482.621 5.023 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825434805 OYZSJQILIDANIB-NDEPHWFRSA-N 489.660 5.692 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c(C)o1 1825880863 IYJHFCZRJNBBCT-RUZDIDTESA-N 477.605 5.102 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827855303 ZTHQHILCIVUHKK-FQEVSTJZSA-N 468.560 5.833 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)oc2ccccc12 1828129766 ZOOYOFYUHMWQDZ-IBVKSMDESA-N 483.612 5.915 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c1 1828132470 MFTJNGFQNKFZIJ-HSZRJFAPSA-N 472.614 5.024 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(cnn3C)c2)CC1)c1ccccc1 1828308251 YIUDTBZHWXODKD-YTMVLYRLSA-N 496.655 5.004 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1828338680 CJLJKHMPQIJGAB-RUZDIDTESA-N 476.020 5.177 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 1829064919 QKLGBVRQSIYQHU-DEOSSOPVSA-N 463.622 5.567 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc(Cl)c2)CC1 1829068075 CLKKIIDFORSIHS-QHCPKHFHSA-N 461.046 5.331 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c1Cl 1829690274 UTKNNTPPFSNMPP-JOCHJYFZSA-N 475.976 5.505 30 20 JKED COc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)S)CC2)cc2ccccc2c1Cl 1829707765 MUOHXRMDLOTETR-IERDGZPVSA-N 475.054 5.053 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)CC1 1830465354 LVJYRVRFKZCKSR-BVAGGSTKSA-N 495.067 5.527 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830627089 LOIFYPWWXVDOFC-LVXARBLLSA-N 475.658 5.167 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1830674177 IDJDRTLPANXHPI-AMGIVPHBSA-N 487.644 5.486 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830719051 QQUNEINJGURDPV-XMMPIXPASA-N 489.547 5.005 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c(Cl)c1 1830720504 PPORGNKNRIPDSF-DEOSSOPVSA-N 456.030 5.415 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1831015716 XGJIOCRLKBKCNH-DHIUTWEWSA-N 483.056 5.298 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831851840 AQHPZHDXSHGYTA-YKSBVNFPSA-N 476.583 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1832627460 DREQLLSBUVDNQK-QFQXNSOFSA-N 486.660 5.553 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3nccc4occc34)CC2)c1 1832631132 REPJVWGSSPYQLE-DVECYGJZSA-N 470.573 5.002 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3ccccc3C#N)CC2)CC1 1832795478 NSHZGBKBMPBCSP-VWLOTQADSA-N 479.665 5.163 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(CC)cc3)CC2)CC1)c1ccccc1 1838416596 BYMIQDHAVCANCK-LJAQVGFWSA-N 486.656 5.058 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1838718851 WHVMDQBWVZEVPH-UHFFFAOYSA-N 472.585 5.002 30 20 JKED C=CCSCC(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1841885898 ZOXUMKGOVBIVJW-UHFFFAOYSA-N 490.547 5.234 30 20 JKED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)c1cn(C(C)C)cc1C(F)(F)F)C2)c1ccccc1 1844335506 MRORCGTUKMCHLS-NRFANRHFSA-N 485.550 5.102 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 9632590 RTMKVBVMBBLQRQ-FOWTUZBSSA-N 483.911 5.635 30 20 JKED COc1c(Br)cc(Br)cc1/C=C/C(=O)c1cccc(NC(C)=O)c1 10109795 QYQXYXYBKOKWIY-VOTSOKGWSA-N 453.130 5.075 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc(Cc2ccccc2)cc1 10174280 SJHVFAQPZQNHFU-UHFFFAOYSA-O 492.089 6.893 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113118 KLIKTDKOPAOAAO-UHFFFAOYSA-O 461.554 6.041 30 20 JKED C=CCn1c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 11452784 QTPSSJIJGMPGAS-UHFFFAOYSA-N 465.579 5.092 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1 12718220 IDKUSMGPKSFHRB-UHFFFAOYSA-N 452.557 5.074 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)cc1 15029917 LBXANDNUDQIUSB-UHFFFAOYSA-N 461.497 5.009 30 20 JKED COc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2cc(Cl)ccc2OC)cc1Cl 15240037 FQTRASRWFIGDDB-CQSZACIVSA-N 488.400 5.794 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2nnc(CC)s2)ccc1Cl 15963568 RSQNREPVIFIJSV-UHFFFAOYSA-N 497.429 5.041 30 20 JKED COc1ccc(CNc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)s2)cc1 16324796 CTTFNZPVAXROOS-CQSZACIVSA-N 499.687 5.480 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nc2scc(-c3ccccc3)c2c1=O 22118480 OGXCMJBTCAOBLS-QGZVFWFLSA-N 478.643 5.134 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 22143626 XIVDWGJWKRQMOS-UHFFFAOYSA-N 463.613 5.342 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2-c2cccc(Cl)c2)n(-c2ccc(F)cc2)c1C 22187485 OLPKDGKUGDCHKJ-UHFFFAOYSA-N 480.956 5.070 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 22696280 CPDAGAQDDXDWBW-UHFFFAOYSA-O 485.604 6.154 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1ccc(C(C)C)cc1 22728608 TZHWDHKIRAGLEY-UHFFFAOYSA-O 482.467 6.473 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@@H]1COc2ccccc2O1 23517626 PKSPYCGMVYBANR-YJYMSZOUSA-N 491.400 5.403 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1ccc(OC)cc1 23554293 GXWSWVMHIBJXNG-CQSZACIVSA-N 458.381 5.266 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 27781570 AOTLVFIINHDLAJ-MRXNPFEDSA-N 483.977 5.273 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2sc(-c3ccccc3)cc2c1=O 28381643 DQPRPWXZARPEJT-UHFFFAOYSA-N 493.610 5.059 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 32789446 BFLDQPXBXZIBFH-UHFFFAOYSA-N 456.571 5.578 30 20 JKED Cc1ccccc1-c1cc(C(=O)Nc2ncccc2OCCCC#N)c2cnn(C(C)C)c2n1 72087493 JHRRQYNQAQIPCL-UHFFFAOYSA-N 454.534 5.318 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1OC 212832873 SSMLAATVPAFLKN-YBEGLDIGSA-N 458.514 5.173 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2scnc2C)c1 252505690 LZNUJKGLURKJGA-HXUWFJFHSA-N 495.029 5.247 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1 255936754 LZIHWNYYWOXGCC-UHFFFAOYSA-N 474.977 5.022 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(Br)cc1 255947774 ZSCBEVBDZLNPSK-INIZCTEOSA-N 494.414 5.543 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1c(F)cccc1F 302764719 AVPGWBOZCKYFJI-CYBMUJFWSA-N 464.925 5.094 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c1 303033613 RKZUZHCZUMVUBZ-DEOSSOPVSA-N 477.358 5.113 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C 303157258 GZJBLBFKIDQEKP-UHFFFAOYSA-N 484.987 6.213 30 20 JKED COc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccccc2C#N)c2ccccc2)cc1Br 485442191 SHYWHMRSJQKWFD-MWTRTKDXSA-N 465.347 5.002 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCC)CCc2ccccn2)c1 489773833 WCSREZJJHFRXBW-UHFFFAOYSA-N 498.048 5.211 30 20 JKED COc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 493078473 JSMZDELBLVEIBE-UHFFFAOYSA-N 475.961 5.199 30 20 JKED Cc1ccc(C[C@@H](C#N)Sc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cc1 494168195 HRAHQBBBDKUBEF-OALUTQOASA-N 465.644 5.051 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)c2)c1 499454049 OXCGLDRUZWJXOR-UHFFFAOYSA-N 481.409 5.128 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 500474679 FLYCREUYYZHCOS-UHFFFAOYSA-N 494.400 5.026 30 20 JKED C=CCN(C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc(C(=O)OCC)cs1 501948064 RRAPUDQDKJYMCI-UHFFFAOYSA-N 476.476 5.964 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1 505675751 BLDPUJBUZJKLBV-UHFFFAOYSA-N 463.415 6.178 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(OCC)cc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 505867334 BGYXIJKZWDOLSL-UHFFFAOYSA-N 492.582 6.073 30 20 JKED C=CCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 506011196 ZWKDEWXPBOVTOV-MRXNPFEDSA-N 463.563 5.331 30 20 JKED C=CCN(C(=O)C(=O)c1cnn(C(C)(C)C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 506172271 CMAYGCALAOYABU-UHFFFAOYSA-N 463.390 5.470 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)s2)cc1 506790999 RMNJPRKZDPYZJO-UHFFFAOYSA-N 495.589 6.276 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(Oc3ccccc3)nc2)cc1 508285031 GOGRQWAZWZGSNQ-UHFFFAOYSA-N 466.497 5.868 30 20 JKED Cn1ccnc1[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(Cl)cc1 508916043 XBEFUBGGLNRESO-XMMPIXPASA-N 456.933 5.044 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1 511769132 GORYDJHLFVZFNA-UHFFFAOYSA-N 475.417 5.214 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 515611057 RLXVJQRAMCBDPU-UHFFFAOYSA-N 453.523 5.426 30 20 JKED C[C@@H](OCCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 515889407 SKMUTDCOKXFRLZ-GOSISDBHSA-N 477.948 5.227 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(OCc3ccccc3)CC2)cc1Cl 516046748 PJWUALVELWGHET-VWLOTQADSA-N 487.987 5.142 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C(C)C)nc4c3c(C)nn4C(C)(C)C)n2)cc1 516269960 GTSFFLVDRBOBSC-FQEVSTJZSA-N 487.629 6.240 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1 516543161 DNOBILLRPPEESE-UHFFFAOYSA-N 495.579 6.172 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-])c1ccccn1 517801164 YSDDLYXRAMPUQO-VQIMIIECSA-N 469.526 5.776 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1)c1ccccc1 518481118 LGYLDLKCHVQNOG-FQEVSTJZSA-N 482.565 5.042 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 518664941 ZMRATGDMCYPCEV-INIZCTEOSA-N 460.584 5.158 30 20 JKED C=CCOc1c(Br)cc(CNCc2nc3cc(Cl)ccc3s2)cc1OC 518778519 PJRKDWANHPCTKL-UHFFFAOYSA-N 453.789 5.575 30 20 JKED CCc1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1c(Cl)cccc1Cl 519516536 OZZGENZXBSKDKL-ZDUSSCGKSA-N 460.390 5.783 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 519943479 LJSYTEAOHRBXFP-UHFFFAOYSA-N 466.541 5.388 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cccc(C(F)(F)F)c3)cc2Cl)cc1 520417029 FTNRODVAUZKIBT-UHFFFAOYSA-N 473.838 5.278 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 520427403 HXVIAVQGVIQTJH-ZDUSSCGKSA-N 492.404 5.922 30 20 JKED N#C[C@H](C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1nc(-c2c(F)cccc2F)cs1 520427465 KOWCZNKLVSCARE-MRXNPFEDSA-N 476.508 5.015 30 20 JKED COc1ccc([C@@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)c2c[nH]c3ccccc23)cc1 521207953 RVZZWEMBUIBUBX-AREMUKBSSA-N 493.611 5.102 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 521316108 HZDXWOWWQRFVID-UHFFFAOYSA-N 483.484 5.425 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c12 521515186 VDLIWAWIWUUIGR-UHFFFAOYSA-N 456.502 5.161 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 524397879 GVQIJBMPFODNAS-UHFFFAOYSA-N 455.489 5.320 30 20 JKED Cc1nc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)sc1SCC#N 603775838 ICCBYMFXFGFKKM-UHFFFAOYSA-N 465.991 5.826 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603961835 LBSASWCMDLTOMW-UHFFFAOYSA-N 472.501 5.759 30 20 JKED Cc1cccc(Oc2ncccc2NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1C 604004035 GAASQUFLDPZVNI-UHFFFAOYSA-N 483.528 5.466 30 20 JKED C=CCn1c(SCc2csc(CC(=O)OC(C)C)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 604441113 OWNLKZZVLAFXTG-CQSZACIVSA-N 489.688 5.012 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)cc1 604562103 IJMPWJWVCJANJN-UHFFFAOYSA-N 480.524 5.655 30 20 JKED CCOC(=O)c1sc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c(C#N)c1C 604565584 GYRWCHDVMYCHFP-UHFFFAOYSA-N 479.505 5.428 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)CC1 608940117 VJDOADPYJIMPNH-UHFFFAOYSA-N 484.625 5.288 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 609072268 HYZIPVCSAWASMT-JOCHJYFZSA-N 486.547 5.467 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 609073985 PHVICVIBFOBPGH-FQEVSTJZSA-N 495.539 6.073 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 609086709 VLPFSFICVTTYSB-SFHVURJKSA-N 484.581 5.214 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc2ccccc2[nH]1 609103873 GLCAWROOYHSXHY-MRXNPFEDSA-N 460.534 5.586 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609110353 HPCBMCWJWFHAKY-SANMLTNESA-N 498.558 5.080 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 609369679 HRSAHNAMGRQSLD-KRWDZBQOSA-N 490.610 5.163 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(C(F)(F)F)c1 609436199 IXXGVPKXOOXOGF-HNNXBMFYSA-N 453.420 5.185 30 20 JKED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)C1 613406881 ADLCHNLIAFCDQU-CLCXKQKWSA-N 488.034 5.106 30 20 JKED O=C(Nc1ccc(OCc2ccccc2F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622626763 DBVTVERUGWSMHG-HUUCEWRRSA-N 464.381 5.999 30 20 JKED C=CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 645077561 JDCIYCBNODXATC-UKILVPOCSA-N 469.566 5.693 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726310045 YXELPZNUQSHBMQ-MUUNZHRXSA-N 459.549 5.606 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(Cl)c1 726395252 YNEJOQIILCQZLR-JXFKEZNVSA-N 459.999 5.034 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726420731 MULDCFIXPCXWKK-AJHBCDHZSA-N 453.589 5.240 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)c2)cn1 726891622 PDRGLKFBINNIDQ-QHCPKHFHSA-N 488.613 5.176 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1Cl 727264880 YWOYGIKFOBZWGJ-LFIBNONCSA-N 450.322 5.885 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccccc2I)cs1 727780961 XWWBWTYQKOCJHP-FMIVXFBMSA-N 488.350 5.637 30 20 JKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 728017640 ULIHGALXTJGYGX-UHFFFAOYSA-N 479.945 5.148 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccsc1 728420920 KELOQQASPGMHRR-OAQYLSRUSA-N 460.584 5.089 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)cc1F 728777653 KBBBVVPYFNEGJA-JOCHJYFZSA-N 482.581 5.105 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 729375321 DUZCQADNUPECQT-UHFFFAOYSA-N 460.896 5.949 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CC2)c1 730507731 VIANHBYIJLIQLT-GOSISDBHSA-N 477.558 5.133 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O)Nc1cnccn1 730715399 MYWSSSDQUGBLGR-URXFXBBRSA-N 489.576 5.117 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 731114387 QPPLJYYDDBKHJE-IBGZPJMESA-N 459.571 5.617 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731306184 STNGJUDHJHQSHT-QVKFZJNVSA-N 480.977 5.162 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c1 731309309 RLVOHLWVURTXST-NRFANRHFSA-N 465.600 5.177 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731311360 ALERRSIPKQQGFH-AHWVRZQESA-N 498.608 5.621 30 20 JKED C[C@@H](OC(=O)c1oc2ccccc2c1CSc1ncccn1)C(=O)N(CCC#N)c1ccccc1 742948865 BCDSNYFUZQJHOR-GOSISDBHSA-N 486.553 5.007 30 20 JKED COc1ccccc1-c1nc(C(=O)O[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cs1 746916807 OLCXAKBFFLXNDV-BRABVMKYSA-N 462.571 5.245 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(Cc3ccc4c(c3)CCN4C(=O)c3cccc(C#N)c3)cc2)c1 748290025 LSSYGRLDOIXKNI-UHFFFAOYSA-N 482.543 5.476 30 20 JKED Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)n1[C@H](C)c1ccccc1 749226006 DLYJMKPMWJBIJU-HXUWFJFHSA-N 454.574 5.077 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 750394999 KXYPOQIOKDUEDX-INIZCTEOSA-N 482.352 5.264 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1 750706223 SOAJXESCGRILDP-UHFFFAOYSA-N 480.565 5.128 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc3cnccc23)nnc1-c1ccc(Cl)cc1Cl 875868119 DWSUZGYEOLFUCV-UHFFFAOYSA-N 470.385 5.717 30 20 JKED COc1ccccc1[C@@H]1[C@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)CCC(=O)N1c1ccc(C)cc1 914445757 DFJNTTDHVAMGHX-NMJGOYCLSA-N 467.569 5.237 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 914521721 ZWKMPLJSEKSSMF-JLHYYAGUSA-N 481.571 5.491 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 915086038 GYSBJTWMCSVHBD-FQEVSTJZSA-N 482.590 5.481 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 915103870 HKIGKJBNYZSCAS-PBHICJAKSA-N 475.467 5.183 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCCCC2)cc1 915784782 TWOXMLWCBKNIRK-SXOMAYOGSA-N 451.570 5.718 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNCc1cccc2cccnc12 915960074 XHDQAOHNTWQZON-UHFFFAOYSA-N 471.520 5.318 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916127532 FKMWTAZCOBHHLU-CLTKARDFSA-N 497.450 5.613 30 20 JKED O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1cc2cc(Br)ccc2o1 916130081 HHRNBUYSZCMJOV-FNORWQNLSA-N 463.331 5.476 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(F)cc1 916209295 IYKACUURXVFNEW-GOSISDBHSA-N 478.387 5.349 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cn(-c2ccccc2)nc1-c1cccnc1 916276758 IPBXSINFKWBKBC-UHFFFAOYSA-N 492.395 5.671 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2cccs2)ccc1OCc1ccc(Cl)cc1 916313765 CODFKDSERGHERB-UHFFFAOYSA-N 456.980 5.419 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC([C@H](O)c4ccccc4)CC3)c2)cc1 916686571 MUNQJISREUANLT-HHHXNRCGSA-N 455.558 5.309 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916888676 ZHQDPEWIVPVQTI-FQEVSTJZSA-N 480.496 5.606 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916903091 KVMSACKJJWSPDS-NRFANRHFSA-N 486.959 5.872 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(Cl)c1OCC(C)C 916908150 LRRSNZRYHCCLPW-FQEVSTJZSA-N 492.959 6.137 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916909649 NQFSZJLQWHTCTF-QGZVFWFLSA-N 477.998 6.203 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccc(Br)o1)C(=O)Nc1ccccc1Oc1ccccc1 916910995 UNBFWVJOOLXGAW-XSLBHYSZSA-N 451.276 5.195 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OCC)c1OCC 916928142 UYLHHJDRKDBXFA-OAHLLOKOSA-N 465.333 5.151 30 20 JKED Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043323 KMGRYHOPJKQZGZ-MJGOQNOKSA-N 473.520 5.645 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1cc(Cl)cc(Cl)c1 917636881 WWIFQOISPCENAO-CQSZACIVSA-N 462.280 5.260 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cccc(C)n3)C2=O)c1 917678758 HOJKIYZYIUUPIW-JOCHJYFZSA-N 495.004 5.213 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cccc(C)n3)C2=O)c1 917681333 NUGNZCZZUFZTJK-QHCPKHFHSA-N 493.032 5.821 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(F)cc3)C2=O)cc1 917701886 AZQYTPRGVXHHDC-HSZRJFAPSA-N 472.545 5.166 30 20 JKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 919089087 YKJUJTVYXBDNKG-ZDUSSCGKSA-N 460.317 5.634 30 20 JKED N#Cc1ccc(CSCC(=O)OCc2csc(-c3ccc(Br)cc3)n2)cc1 919208097 VNCNLQSBAPXFEQ-UHFFFAOYSA-N 459.390 5.421 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccccc2Oc2cccc(Br)c2)n1 919472615 RFALVXNZGCHOND-QGZVFWFLSA-N 471.332 5.040 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)CCOc4ccccc4)C3)n2)cc1 919665566 CBGIOQDVAXJJOW-GGAORHGYSA-N 473.598 5.003 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)n2)cc1 920138877 LOFGKFPWJLDDFT-NFBKMPQASA-N 473.598 5.164 30 20 JKED CCCCCCn1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2ccccc2c1=O 920140412 GTOPDIKBGRBANJ-QFIPXVFZSA-N 481.581 5.462 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3ccnc(C)n3)C2=O)c1 920176021 PDQZXBNQSGHLKI-RUZDIDTESA-N 499.640 5.051 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)n1 920326878 LBNVXVJSYYSGKT-MRXNPFEDSA-N 457.458 5.155 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc3ccccc3c2)no1 920359566 OJKPSXDKJUBMAP-QHCPKHFHSA-N 488.544 5.436 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CC2CCC2)C1=O 920927761 XOSOLJUBNBSVHF-FQEVSTJZSA-N 491.535 5.474 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/Cc3cc(C)ccc3C2=O)cc1OC 921263905 KTZZXXFDCMXEAS-ODLFYWEKSA-N 477.944 5.506 30 20 JKED O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCc2c(ncn2CCc2ccccc2)C1 929073010 LBTTXTQIYMVWMJ-UHFFFAOYSA-N 499.430 5.614 30 20 JKED CCCCN1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H](C)CC#N 1514489259 WFEAASVFPVPMRZ-QUCCMNQESA-N 459.038 5.000 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)C1 1781676467 FMMJCSARAUSSEG-PAHOUZJPSA-N 487.084 5.362 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cn1 1787300511 VOXLTFDISVEQLP-UHFFFAOYSA-N 468.557 5.110 30 20 JKED COc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1787362082 UJTMNCOPEXCOHV-UHFFFAOYSA-N 494.473 5.042 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)NC3(c4ccc(NC(=O)CCC#N)cc4)CCC3)c2c1 1787886072 CPDFNGSNJRICML-UHFFFAOYSA-N 473.573 5.691 30 20 JKED COc1cscc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1788828806 FPKVQPYBRBACCL-QGZVFWFLSA-N 459.571 5.445 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5ccc(Cl)cc5n4)cc3)CCC2)c1 1789101210 XNJDIWLWMYBMTJ-GOSISDBHSA-N 497.986 5.676 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(OC)cc34)cc2)CCC1 1789275733 KWHFSYAKIJTHLI-JOCHJYFZSA-N 457.574 5.693 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc(O)c4ccn(C)c34)cc2)CCC1 1789996505 FFKMORCRPCYMHV-UHFFFAOYSA-N 460.578 5.019 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)CCC1 1790131565 MKICAKWRQWSQQI-UHFFFAOYSA-N 481.021 5.397 30 20 JKED Cn1c(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)ccc1C(F)(F)F 1790707963 ZITLFZXZWSVJNG-UHFFFAOYSA-N 480.490 5.171 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790710312 HOTHMYITBNDQCO-VAWYXSNFSA-N 497.576 5.590 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)cs1 1790785624 XCIJHMMSWSRTFQ-UHFFFAOYSA-N 484.503 5.404 30 20 JKED COc1cc(F)cc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(OC)c4)CCC3)cc2)c1 1791495778 VSKNZRXCBIQCGR-RUDMXATFSA-N 499.542 5.176 30 20 JKED Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)S)cc2)CCC1 1791571053 YSJJDLZCWKURQT-GCJKJVERSA-N 497.661 5.013 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1792147286 PUSKWUUBBJUWQI-UHFFFAOYSA-N 473.960 5.476 30 20 JKED CCOc1ccsc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1792430700 GYAWUTHERLTXCD-QEIWAGNOSA-N 484.621 5.112 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C(C)C)cc1C(F)(F)F 1797021436 DKNOYQSMJVTUEP-BCDXTJNWSA-N 453.549 5.332 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cncc3s1)C2 1798417584 OODZSSLQDUXWFE-BCDXTJNWSA-N 488.129 5.253 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)C2 1798420704 IUXPLPLIGUUIRV-WKCHPHFGSA-N 482.594 5.147 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1801640376 GYNLOFOQQQIICW-SFOUDVDZSA-N 452.545 5.349 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)[C@H]2c2cccnc2)C1 1802418082 QCUUKDJMGIIMEX-OUTSHDOLSA-N 490.607 5.287 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802498936 PMNFFSWASIZWQR-QVQNZMNRSA-N 480.052 5.537 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccccc3)CCCC2)[C@@H]1c1cccnc1 1802868440 ISVGQHAAWVTQQI-VPUSJEBWSA-N 471.645 5.368 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)cc1Cl 1803684003 DPWVRWLTXGYLAZ-QMZRJTEUSA-N 480.008 5.320 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1807483968 YQTCMFXTWTZGRC-BBVXACFBSA-N 485.628 5.310 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)c1 1809621502 BCAFAWUIHLWEFZ-CCELUNPOSA-N 484.644 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1810172674 CMPCIJLSSQOYIE-OROMBRFGSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1810179094 XENSDVPQJLCXHK-PQNGQFLHSA-N 451.998 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810459497 XZEMADNTBILASB-JCYYIGJDSA-N 480.612 5.232 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3sccc3Cl)[C@H]2c2cccnc2)c1 1811095541 FJLQGDRBOYCNDL-QGCDCVKKSA-N 479.005 5.057 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1811419617 ILGCAWWAQMFNBO-CZZAQMAHSA-N 487.003 5.038 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811439630 UXDDROSRZZOGLO-RZFJZAQRSA-N 491.632 5.162 30 20 JKED CC1(C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CCCCC1 1811874198 YGBZOTJYRJVZRI-NFBKMPQASA-N 498.549 5.262 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1813827515 LNRGFVVFRJJEPE-NZQKXSOJSA-N 454.014 5.355 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c(Cl)c1 1813881240 SLCHYZFNPWDIKA-CUNXSJBXSA-N 499.014 5.119 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814381183 KCAGTCGAGOZCTI-CIEQNIFPSA-N 497.599 5.018 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1814570773 SQRFWZUWFKYHOW-FQEVSTJZSA-N 455.518 5.165 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)sc2c1 1816627129 YIQXYMIENZFXHB-JOCHJYFZSA-N 498.612 5.138 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)cs2)n[nH]1 1818152365 SJGIYJKKYXZENP-WBVHZDCISA-N 477.428 5.308 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2)n[nH]1 1818226262 KHJSERPDLRPEDW-XMMPIXPASA-N 469.589 5.546 30 20 JKED Cc1ccc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)ccc2n1 1818405082 NRTOZOZDXSEVHR-AOMKIAJQSA-N 495.608 5.166 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)cc2c1 1818564001 HYVOUKAHQSWUIL-LCCNJJIFSA-N 487.585 5.006 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)n[nH]2)cc1 1818927213 PETSZAIWFONEEO-XJTUCQONSA-N 473.621 5.123 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820089291 KEDRKEJGPJUMNU-RXVVDRJESA-N 471.561 5.465 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437543 IOTSZXYLOFROGY-NRFANRHFSA-N 480.515 5.719 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(Cl)c3)n[nH]2)C1 1821024987 BRPRRVQGMXPVFQ-FQEVSTJZSA-N 456.974 5.122 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3oc4ccccc4c3C)[nH]n2)c1 1821325239 SKFVKJONQVPULJ-JOCHJYFZSA-N 467.529 5.264 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccncc34)n[nH]2)c(Cl)c1 1821416238 RDSOQWOFOXQYCO-QHCPKHFHSA-N 484.947 5.103 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4c3oc3ccccc34)n[nH]2)cc1 1821611126 HRBLEWRSXGFNOR-DEOSSOPVSA-N 489.535 5.800 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1822397328 PCAIEFLCSBQDET-QGZVFWFLSA-N 467.784 5.479 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823217389 RHUQMZQMWFRXMX-ZHRRBRCNSA-N 477.515 5.243 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1824500441 ZMTGWDVBRVMQGA-MUUNZHRXSA-N 489.660 5.273 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)cc12 1827413636 MUYSXRDYQUVWHD-JOCHJYFZSA-N 492.670 5.279 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)CC1 1827940029 SXCVGBVOZLIXEQ-LJQANCHMSA-N 467.576 5.270 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(Br)nc2C)CC1 1827972589 LJHGJWHBMMIOIS-OALUTQOASA-N 494.499 5.216 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1828823851 HGUAHVMCRQOQQA-NSOVKSMOSA-N 494.676 5.436 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc3c2CCCO3)CC1 1828823994 DGZSSCKWBZYQFP-NFBKMPQASA-N 456.652 5.075 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)[nH]c12 1828906251 BVBSKQFQXZPWPS-AREMUKBSSA-N 491.752 5.761 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829230715 CYWSHNVQOVEURD-OAQYLSRUSA-N 464.437 5.390 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829672821 KIYRMWNHRRIIBJ-XMMPIXPASA-N 453.602 5.533 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1Cl 1829690137 MCHWLCOGVSGKLD-XMMPIXPASA-N 474.992 5.240 30 20 JKED COc1cccc(-c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)c[nH]2)c1 1830012486 KQHFFDFUJWFEGU-MUUNZHRXSA-N 496.611 5.109 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)ccc(Cl)c2O)CC1)C(F)(F)F 1830710557 KUDBGURFCKIICY-INIZCTEOSA-N 479.326 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccncc34)CC2)c1 1830866901 JXCUEKVVSCVQIK-LYZGTLIUSA-N 480.612 5.409 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831019039 KDZYLNHBBTVXEI-UUOWRZLLSA-N 454.014 5.334 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(OC(F)(F)F)cc3)CC2)C1 1831315701 SICKTLZCJIDIPP-QHCPKHFHSA-N 478.555 5.104 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1832093246 VQGYUUCEOLZUBT-DEOSSOPVSA-N 491.598 5.421 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c(Cl)c1 1832555892 IYLFBWOLLHSRTK-SANMLTNESA-N 476.020 5.636 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1 1832634885 XASJZMFIOOZKTD-IDISGSTGSA-N 475.608 5.319 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(NC(C)=O)c2)CC1)c1ccccc1 1832653961 UPLGYTQQVVCAKL-FQLXRVMXSA-N 499.655 5.076 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(CCCCC)s3)CC2)CC1 1833078965 AQXCRZZDCAOLFQ-UHFFFAOYSA-N 488.742 5.053 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CC1 1836100450 RKNLPNFPQBCJMJ-HSZRJFAPSA-N 498.671 5.004 30 20 JKED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)C1 1845048721 OFHUMHGQOBNPPX-UHFFFAOYSA-N 499.577 5.453 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl 3510055 RQVBOGVBSQPWKZ-UHFFFAOYSA-N 461.326 5.301 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10168722 QXNPKRUDZFCFJS-UHFFFAOYSA-O 482.673 6.188 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)n(-c2ccccc2)c1C 10432949 TWMVRLMZSNHLIP-UHFFFAOYSA-N 468.542 5.228 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159096 DXVVVBYMLDGHCX-UHFFFAOYSA-O 472.461 6.819 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2-c2cccc(Cl)c2)n(C2CCCCC2)c1C 16686625 SRFOLILDDUATPJ-UHFFFAOYSA-N 469.014 5.447 30 20 JKED C[C@@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18532514 MFUSRSKLKZAQNG-OAHLLOKOSA-N 493.610 5.386 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)cc1 22248285 ONYPCEREVHQGPP-UHFFFAOYSA-N 460.481 5.086 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1cccc(O)c1)c1ccc(Cl)s1 22732534 MSMQDHJKHDLIHH-UHFFFAOYSA-O 468.805 5.208 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccc(N(C)C)cc2)cc1 22801979 WWQMVVWAGPCXMM-UHFFFAOYSA-O 490.693 5.117 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1C 24771287 FATNAZBNAMSONK-UHFFFAOYSA-N 471.586 5.242 30 20 JKED CC(C)n1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc(Cl)ccc2c1=O 26031157 VKKBPMORWFRPJX-GOSISDBHSA-N 495.029 5.723 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2cccc(C)c2)c1C 28793821 RERORAYTMBDBEJ-UHFFFAOYSA-O 464.611 5.017 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 106066210 OCSRTPHWMXUUPM-HXUWFJFHSA-N 458.389 5.156 30 20 JKED Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 107647105 LBXMFLGKEFPAFV-HSZRJFAPSA-N 496.032 5.633 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1 107915383 YDLDTPYDRHMRRH-UHFFFAOYSA-N 461.572 5.181 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccccc1F 195569197 VSPJUNNROLVIAT-LLVKDONJSA-N 452.342 5.091 30 20 JKED COc1ccccc1-c1nnc(Sc2ccc(C#N)cc2[N+](=O)[O-])n1CCc1ccccc1 248186431 HUCNBWSSPWOBCS-UHFFFAOYSA-N 457.515 5.127 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csc(-c2cc(Br)cs2)n1 302951630 DLVKXBBZPHLOMR-UHFFFAOYSA-N 464.366 5.371 30 20 JKED Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)o2)c(C)c1 302994311 LSWRJALINREVEL-UHFFFAOYSA-N 453.498 6.095 30 20 JKED COc1ccc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC(F)F 303184028 XXFNTAGMINAOFJ-UHFFFAOYSA-N 468.525 5.433 30 20 JKED N#C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(OCc2ccccc2)cc1 303219639 UOPPURQNPKCIMO-OZXSUGGESA-N 487.987 5.152 30 20 JKED C=CCn1c(SCC(=O)NCCc2ccc(Cl)s2)nnc1-c1ccc(Cl)cc1Cl 483924464 ZNCJMEADJUXNMC-UHFFFAOYSA-N 487.865 5.604 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 485454775 WZZLZORUIRSTLE-SFHVURJKSA-N 495.501 5.509 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1)c1ccccc1 489286641 DORUOGKIUXZYBM-HHHXNRCGSA-N 455.558 5.196 30 20 JKED CCN(CC)CCNC(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 498537103 GHZFXFGDMOSRMC-UHFFFAOYSA-N 472.614 5.033 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 499162455 BEHUSEAVFJPADO-IBGZPJMESA-N 469.975 5.031 30 20 JKED N#Cc1cn(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c2ccc(Br)cc2c1=O 502840036 JRPKUECEHBHTJG-UHFFFAOYSA-N 496.380 5.136 30 20 JKED C=CCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502935563 UIXBDPLXGQZWHR-UHFFFAOYSA-N 493.412 5.904 30 20 JKED CCN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)[C@@H](C)c1ccc(C#N)cc1 509560786 PBIGXFGNALQJLN-LKZQPVPRSA-N 496.592 6.617 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OCc1cscn1 510280236 AZLYXSRBSGRWKW-UHFFFAOYSA-N 471.538 5.955 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 511371972 FADXRMSWGDWVHL-QHCPKHFHSA-N 463.990 6.344 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 512558931 IIDSQZQKZVGCOB-GOSISDBHSA-N 494.511 5.783 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)n1 512963143 AFOWDVDHHQDWRY-MRXNPFEDSA-N 484.990 5.231 30 20 JKED N#C[C@@H](C(=O)c1ccccc1Oc1cccc(Br)c1)c1ccc(C(F)(F)F)cn1 513175528 JCTCYGWEVUOGMX-QGZVFWFLSA-N 461.237 6.145 30 20 JKED Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)c1 513656194 YXAJDSAVQGOACL-OAQYLSRUSA-N 469.566 5.653 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc12 515540150 LNAQZMGBEADQPC-MRXNPFEDSA-N 481.915 6.284 30 20 JKED Cc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1NC(=O)c1ccccc1F 517305881 IUMRUSPNAYPDQL-FQEVSTJZSA-N 489.959 6.653 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1 518256579 GQPTUXMRJFQYFH-UHFFFAOYSA-N 461.610 5.063 30 20 JKED N#CCCSc1ccccc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 518647771 FMFCBBMHVOKNQV-UHFFFAOYSA-N 464.435 5.821 30 20 JKED Cc1ccc(N(CCC(=O)Nc2ccccc2SC[C@@H](C)C#N)S(=O)(=O)c2ccccc2)cc1 518660283 OTMXYQZEXXTBDS-NRFANRHFSA-N 493.654 5.471 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 518883231 XOBXPRLXFYPDBN-AREMUKBSSA-N 484.556 5.032 30 20 JKED CC1(C)Cc2cccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2O1 519434106 OQOANKRGCBDLEL-UHFFFAOYSA-N 450.482 5.442 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cc(F)ccc1N1CCN(C)CC1 521211311 CLKMGOQTEHKCMG-IBGZPJMESA-N 473.552 5.124 30 20 JKED C=CCn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1-c1ccc(OC)cc1 521424211 ZWOAXTIELQPHQS-UHFFFAOYSA-N 490.408 5.306 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 521714962 YKYMVXUWVQYFOL-UHFFFAOYSA-N 459.506 5.767 30 20 JKED Cc1ccc(CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccc(F)cc2)o1 521760520 IXPOBDTVIZCWIV-UHFFFAOYSA-N 474.492 5.297 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1 523633221 GMCGAWGBHOFWRT-HXUWFJFHSA-N 483.446 5.108 30 20 JKED C=CCn1c(SCc2c(C(=O)OC)sc3ccccc23)nnc1-c1ccccc1OC 524007429 FOHZCURXWRCUJZ-UHFFFAOYSA-N 451.573 5.433 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2)c(C)c1[N+](=O)[O-] 524388088 IVFHUXDJNCGHJT-UHFFFAOYSA-N 481.512 5.159 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 524440798 AVHZAELHDYUDKZ-UHFFFAOYSA-N 465.557 5.734 30 20 JKED COc1ccc(CNCC2(c3ccc(Cl)cc3Cl)CCOCC2)cc1OCCCC#N 524680754 WIKGUJSZQUVRQH-UHFFFAOYSA-N 463.405 5.523 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(OC)cc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 588051436 KVHSPRMJQZSDCI-UHFFFAOYSA-N 496.942 5.220 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 589748475 MDQICZRRBGVVQE-IBGZPJMESA-N 457.279 5.147 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(Nc2ccc(C)cc2)s1 597180754 UOFFFTBJHOFFJQ-MRXNPFEDSA-N 453.593 5.026 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)s2)cc1 602092805 YORJFGGJCRJQJO-UHFFFAOYSA-N 457.886 5.079 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(Oc2ccccc2)cc1 603600879 JITJZPLYCITFBR-UHFFFAOYSA-N 451.482 5.864 30 20 JKED Cc1cc(-c2noc([C@@H](C)Sc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)n2)ccc1F 603722253 CHMSJAVINPJBTK-CQSZACIVSA-N 474.521 5.139 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)s2)cc1 603829750 PFJBOBZCRKZTPG-IBGZPJMESA-N 481.603 5.814 30 20 JKED N#Cc1c(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)sc2c1-c1ccccc1CC2 603991916 HFGWYDGHPPDJKV-UHFFFAOYSA-N 461.550 5.431 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)CC1 603998408 PCRQSNPEVBDCEB-UHFFFAOYSA-N 487.947 5.304 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c([N+](=O)[O-])cc1OC 604027221 OOBCJFXOISNWFZ-UHFFFAOYSA-N 467.865 5.572 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H](c3ccccc3)n3cccn3)s2)c(C(F)(F)F)c1 604517528 BXVHGMWBXHKIBN-FQEVSTJZSA-N 467.476 5.049 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)CC1 608874147 ZOKAPUXSSURKMO-UHFFFAOYSA-N 493.567 5.224 30 20 JKED CCc1c(C)sc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1C#N 609032359 DJALPCZBSRMZGW-CQSZACIVSA-N 450.391 5.288 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1ccc(OC(F)F)cc1 609078650 FPTYAQASDGPNEF-UHFFFAOYSA-N 451.473 5.411 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2F)c1 609124005 RDIPWXUNNVQPCS-HXUWFJFHSA-N 470.504 5.829 30 20 JKED CCOc1ccc([C@@H](CNC(=O)c2cc3ccccc3n2CC#N)c2c[nH]c3ccccc23)cc1OC 609160880 PRPQULWWFMVFAB-HSZRJFAPSA-N 492.579 5.615 30 20 JKED C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609163331 HYPZORKAIKWKQW-QVKFZJNVSA-N 452.341 5.406 30 20 JKED CN(Cc1nccn1CC(F)(F)F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609206570 PKBMQJQWRYCYFM-GOSISDBHSA-N 461.875 5.418 30 20 JKED CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 609209969 VXVKBZPKDPOACE-UHFFFAOYSA-N 456.999 5.595 30 20 JKED N#C[C@H](C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc(-c2ccc(Cl)cc2)cs1 613320457 YVHBZAGDKQRKOQ-CQSZACIVSA-N 473.867 5.553 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 613404276 OVAXSMBWTUKDON-CQSZACIVSA-N 476.430 6.372 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)nnc1-c1ccco1 614012634 QDLDFAKIGUTKLX-QFIPXVFZSA-N 464.978 5.375 30 20 JKED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 622976415 FEFXUEJQQMZHSB-KRWDZBQOSA-N 478.517 5.521 30 20 JKED N#C[C@H](C(=O)c1nccnc1-c1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 642282244 XOIXFJJXRSBTTB-GFCCVEGCSA-N 481.484 5.872 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643049846 QWKCRRAZJGSIQW-HUUCEWRRSA-N 488.453 5.112 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccs1)c1cccs1 726421299 LZQQIFKPGMSUJN-ZLWLIRGASA-N 455.630 5.400 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)cc1Cl 726626489 HJMNUKZLGFLAEM-GIDUJCDVSA-N 451.754 5.086 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 726754438 HUFFRAPKMKMDAU-UHFFFAOYSA-N 474.568 5.737 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 727057967 ADEANUSRKSPEDX-UHFFFAOYSA-N 497.642 5.040 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(C)n1-c1ccc(C#N)cc1 728272786 HIOWNCQRFDNKIR-OAQYLSRUSA-N 469.520 5.175 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCCCC#N)C2=O)cc1 728779304 XYVKLFOZXAGOJM-QFIPXVFZSA-N 464.591 5.048 30 20 JKED N#Cc1ccc(OC2CCN(Cn3nc(-c4ccco4)n(Cc4ccccc4)c3=S)CC2)cc1 728903724 VWEIHQVSSHIXKZ-UHFFFAOYSA-N 471.586 5.095 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729144189 CFOFIINAINQNGN-PZJWPPBQSA-N 459.974 5.088 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCCC5)c2)cc1 729375327 FCPFOLIZKFIMIQ-UHFFFAOYSA-N 470.554 5.511 30 20 JKED CCCCc1ccc(N/C(S)=C(/C(=O)c2cc(C(=O)OC)co2)[n+]2ccc(C)cc2)cc1 729670674 UDYMYBKXMOYZGX-UHFFFAOYSA-O 451.568 5.056 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)c(F)c1 730535533 QFZKJNUJWGOGDE-HXUWFJFHSA-N 477.989 5.093 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 730609373 DOLBQURRSJXZFD-HSZRJFAPSA-N 484.936 5.397 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730715264 CVLOKTJRNBXMNH-NRFANRHFSA-N 498.992 5.196 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)[C@@H]2c2cccs2)cc1 730994301 JCBPGBOIFOIJIP-KNOQFWTLSA-N 475.639 6.041 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 731069079 DKPRBFOHXBINEQ-ROUUACIJSA-N 494.642 5.089 30 20 JKED Cc1ccc(-n2ncc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2C(C)C)cc1 731073382 INUOPJVQZSAIOW-IBGZPJMESA-N 476.602 5.351 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 731077334 INAGUVSBAUXGGT-MRXNPFEDSA-N 482.964 6.193 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1)c1cccs1 731312689 QVDJRRBTJZYEAQ-CNAVFTNWSA-N 465.600 5.044 30 20 JKED Cc1nnc(SCc2c(C(=O)OCC(=O)Nc3ccc(C#N)c(Cl)c3)oc3ccccc23)s1 742954780 CFRBKFYXFIQJHR-UHFFFAOYSA-N 498.973 5.206 30 20 JKED CC[C@@H](c1nn(CN(Cc2ccc(C#N)cc2)C(C)C)c(=S)n1-c1ccc(OC)cc1)N(C)C 746033051 LFUGKWZTZOHIPN-DEOSSOPVSA-N 478.666 5.164 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3sc(N4CCCC4)nc3Cl)s2)c(C(F)(F)F)c1 746874684 JBJNIXDTARSACO-UHFFFAOYSA-N 497.955 5.587 30 20 JKED CCc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(OC)c(OCCCC#N)c3)s2)cc1 747361703 WZYWJIFBZFJOEH-XMHGGMMESA-N 482.993 5.781 30 20 JKED Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 747985271 UTEVWFSLWPOJAM-UHFFFAOYSA-N 471.582 5.414 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccc(F)c(Cl)c2)C1=O 750917933 ZCLHSRAJOVAABN-MRXNPFEDSA-N 487.956 5.062 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1C 752923798 VCXOMNAOSRIXNK-UHFFFAOYSA-N 491.400 5.611 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2ccc(C3SCCCS3)cc2)cc1C 802724288 YVECGMIECVYLKI-UHFFFAOYSA-N 454.617 5.276 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1ccc(SCc2csc(C)n2)cc1 818024078 FXLRCQNJZCRMEM-UHFFFAOYSA-N 455.630 5.629 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 837535411 DRCPLMUFTRPWGF-DFBJGRDBSA-N 480.593 5.956 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(N3CCCC3)cc2)c1 912654941 QDVVVQOCAIGRQC-UHFFFAOYSA-N 456.571 5.142 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914692432 XYBSUVZABPWURV-KSFYIVLOSA-N 463.628 5.133 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916134594 RHLBFXFYWPXYIX-LUAWRHEFSA-N 473.422 5.767 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(C2CC2)C1=O 916207844 NAOWBCMZLGKHLK-FQEVSTJZSA-N 457.983 5.088 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccccn2)C1=O 916216501 VQJIKMDXNZEYJD-DEOSSOPVSA-N 488.613 5.339 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1cn(Cc2ccccc2)nc1-c1ccccc1)CCCC3 916288586 NCMPFEOHKOFKHK-UHFFFAOYSA-N 465.582 5.131 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl 916683724 GNGHPUPWEXSONP-LADGPHEKSA-N 475.976 5.914 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 916904211 YKLUZFQNIGDWKI-HSZRJFAPSA-N 492.417 5.943 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 916911778 NTDBMJALSKGLQD-CQSZACIVSA-N 463.868 5.752 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 916914809 VJILBYNGGKWHNS-HXUWFJFHSA-N 451.473 5.243 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1OCc1ccccc1 916937338 CSDADERVBLGOBP-SFHVURJKSA-N 482.895 5.036 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1OCC 916937803 GOSVUEFESCDIBY-OAHLLOKOSA-N 467.324 5.671 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1Cl 916939147 PRDGXHHVZQFCPB-MRXNPFEDSA-N 490.368 5.307 30 20 JKED N#C[C@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 917042129 BUZSGYKHWSRXHE-LLVKDONJSA-N 482.459 5.856 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2)cc1OCC 917508419 RHIRZSQRGYVTPQ-QGZVFWFLSA-N 464.543 5.141 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OC(F)F)cc1 917517806 KZSFJRTXSUTMPP-XBXARRHUSA-N 463.278 5.259 30 20 JKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(C)cc4)n3)c12 917560045 QHNWUNGDCBKMRO-QINSGFPZSA-N 495.608 6.129 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=Nn1c(C)nc2sccc2c1=O 917580101 PWFOYLUHTBUQFR-UHFFFAOYSA-N 466.781 5.162 30 20 JKED Cc1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1NC(=O)c1ccccc1F 918322638 IGEDTEVFSGZNKJ-UHFFFAOYSA-N 479.511 6.089 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 918460670 OGFVJFWGWUGRPK-SANMLTNESA-N 476.580 5.477 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 919637530 NKXJQVPBWUGXSO-LJQANCHMSA-N 490.170 5.757 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 920140432 HAFBCFVACGFIGC-PZJWPPBQSA-N 474.973 5.064 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 920141508 PRLGNNGIARWFHY-NRFANRHFSA-N 470.579 5.445 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H]1CCc2cc(F)ccc21 920170352 YQNATXNVENGGLL-BJKOFHAPSA-N 484.556 5.345 30 20 JKED C=C(C)CN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)SC1=S 920473345 SEIGADRALUUTOP-PXNMLYILSA-N 483.562 5.624 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 920870926 VOXUOVGZCNZBGJ-DJJJIMSYSA-N 498.407 5.375 30 20 JKED CCOc1cccc(C=Nc2ccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)cc2)c1O 920943053 PNZQPBOIMBJUBW-UHFFFAOYSA-N 481.464 5.404 30 20 JKED CC(=O)Nc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c(F)cc1F 921157873 MGYKWZFGBGKVDG-UHFFFAOYSA-N 492.326 5.399 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 921188806 MXEBIRMYVFIDAF-UHFFFAOYSA-N 473.524 5.169 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c3c(C)noc3n2)cc1 928976284 VLEFSMNMLFDOJG-GOSISDBHSA-N 486.503 5.138 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1786365972 BJVPDOIEXNNSIK-BJKOFHAPSA-N 467.009 5.560 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)CCC2)cc1 1786374466 ZEKNBLPDKKSLOR-IBGZPJMESA-N 493.604 5.372 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCCC4(F)F)cc3)CCC2)c1 1786466081 ODUSCBVUJKOFIJ-JOCHJYFZSA-N 467.516 5.140 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3-c3ccccc3)CCC2)cc1 1786678171 HXECONBLXRIBOS-UHFFFAOYSA-N 461.587 5.317 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)cc2)CCC1 1787725472 UHCWONGKPFFCHN-UHFFFAOYSA-N 460.361 5.056 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc(-c4ncc[nH]4)cc3)CCC2)cc1 1788648841 WBNNXSAFVWMPJJ-OUKQBFOZSA-N 496.592 5.325 30 20 JKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(C#N)cc5)CCC4)cc3)ccc2s1 1789046175 KMKVTULKSFQODO-UHFFFAOYSA-N 480.593 5.467 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)cc2)CCC1 1789229175 BULSKQNQUGHKFQ-ZDUSSCGKSA-N 461.509 5.253 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)c1 1789370293 OCBWWBRNAYZVKS-UHFFFAOYSA-N 470.554 5.171 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)N3CSCSC3)cc2)CCC1 1789581700 JSMROSQXRXYJNO-GOSISDBHSA-N 461.697 5.156 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CC3(F)F)CCC2)cc1 1790521469 KVDLOWPQGVWWKI-NTKDMRAZSA-N 491.579 5.025 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4C[C@@H](C[C@@H]4F)N3C(=O)OC(C)(C)C)CCC2)cc1 1791252047 GTTOUMSPVRXHAI-RSYUGDCRSA-N 499.627 5.069 30 20 JKED Cc1ccc(CSCCC(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc1 1791502395 YAWAIWSXXWZOAB-RDRPBHBLSA-N 489.641 5.465 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3c(Cl)ccnc3c2)c1 1800882528 VIEQBADMQNXCOK-ZINXYGQCSA-N 472.976 5.081 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2)C(F)(F)F 1801702026 OPHWGMRGAJTQFH-LRSLUSHPSA-N 478.461 5.255 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cccnc3SCc3ccccc3)[C@H]2c2cccnc2)C1 1802418533 UABWLAWMURBXTP-OZXSUGGESA-N 498.652 5.055 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1802419268 ZMSJALOUFPYXHC-AHKZPQOWSA-N 451.570 5.034 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1803093096 OYIIVQZWZUXSDY-XXBNENTESA-N 489.513 5.328 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[C@H]1c1cccnc1 1803455885 KAMNFLHIMPIIJE-FMYROPPKSA-N 499.561 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C3)c1 1803679489 NMSURIDBWSWEBX-TVCZUWLISA-N 461.993 5.023 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)C1 1804858924 YCNHGHBGUXRJCK-UHFFFAOYSA-N 457.565 5.283 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccnc(C(C)(C)C)c3)[C@H]2c2cccnc2)c1 1804863018 YOAWFKVMTHWELT-ZBKJKTKLSA-N 495.627 5.035 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)C1 1805459284 IMJVPXMMKPSTAB-UHFFFAOYSA-N 450.957 5.231 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1805524795 VKCOEORIAUJVPC-WMZHIEFXSA-N 488.129 5.167 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1809158992 PHJHMQUMHGIDKH-RDGATRHJSA-N 457.574 5.224 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)C2)CC1)C(F)(F)F 1809160857 BDWUORQQJRWGJI-RXVVDRJESA-N 450.545 5.166 30 20 JKED CC(C)(C#N)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 1810386340 AXHCZBHWKYHNDM-UHFFFAOYSA-N 498.549 5.162 30 20 JKED Cc1ccc2cc(C(=O)NC[C@H]3CCN(C(=O)Cc4ccc(C#N)cc4)[C@@H]3c3cccnc3)sc2c1 1812218820 CHSVCHFTBXQVOW-UFHPHHKVSA-N 494.620 5.039 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1)C(F)(F)F 1812677598 GURAYSCKPGMOAD-DNVCBOLYSA-N 493.938 5.388 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1813227562 HAMUFIJSDUKITI-OFSOJUDTSA-N 473.661 5.256 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(OC)c2)[C@@H]1c1cccnc1 1813921119 NTALAWXYOLNKLS-XXBNENTESA-N 470.013 5.056 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)cc1 1814381981 ZTJQUDCZTRSQHH-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2ccc(Cl)c(F)c2)n[nH]1 1815149677 ISQFEZWUDIWQNZ-UWJYYQICSA-N 474.964 5.042 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815248759 JRJJXNFEOJFAGY-YKSBVNFPSA-N 476.602 5.569 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971782 PONBCJJHUDPUMC-NTKDMRAZSA-N 492.023 5.994 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccoc2Cl)[nH]n1 1819386719 GTDWCDJDXTZUFI-GOSISDBHSA-N 461.038 5.013 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(Cl)c3)n[nH]2)cc1C#N 1820502386 HJZWUZRNZZMCFI-QFIPXVFZSA-N 491.979 5.342 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)n[nH]1 1821006281 HJOJXEJQPXWMJZ-OZXSUGGESA-N 476.527 5.327 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)cc(OC)cc2C)n[nH]1 1821252050 DUFHREAORPJJOC-UNMCSNQZSA-N 450.583 5.109 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1 1821278586 STXWAGFNYIDMLV-QFIPXVFZSA-N 494.020 5.341 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)ccc2[nH]1 1821581968 LUIGMAIAZYGXCL-VWLOTQADSA-N 480.572 5.010 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1 1821860158 IUQGMPPSTBFMQN-FOIQADDNSA-N 494.423 5.142 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccccc3)CCC2)n[nH]1)c1cccs1 1822320988 VAQLYYOUJROIML-JNCYCUAHSA-N 488.613 5.024 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)(C)C)cc3)[nH]n2)c1 1823216286 FZCVIMVZRCHZOE-DFBJGRDBSA-N 499.615 5.834 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)cc1C#N 1823294764 SKNYHJLZZFAGRV-RUZDIDTESA-N 497.599 5.566 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCCCc2ccccc2)n[nH]1 1823461599 MQDWEVXICYRITO-DEOSSOPVSA-N 463.626 5.679 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2F)CC1 1823930351 IIEXMFGTLQDZRR-IERDGZPVSA-N 465.407 5.034 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 1823975163 ZKKVJOBQLWOLAO-NHHGNSOHSA-N 499.076 5.564 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)CC2)c1Cl 1824857236 KAZKEAOIBSKRIO-VWNXMTODSA-N 467.972 5.156 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1824960155 AJYPKTUJOKVYBU-YVWYTEFXSA-N 491.495 5.001 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825947433 OCQFRPJWOZRHFH-QHCPKHFHSA-N 458.643 5.102 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1826316390 DYLPNVCGBKQBRX-BVAGGSTKSA-N 461.581 5.124 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1828155683 JGAYSQAEHHCNIH-XMMPIXPASA-N 489.616 5.654 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1828421912 LWIKIEXZNQOLRQ-BERHBOFZSA-N 466.666 5.022 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828508074 LSEGKICWSUGIEZ-HSZRJFAPSA-N 469.423 5.412 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2CC)CC1)c1ccccc1 1829029539 BXCDDQBBFYWZFF-NAKRPHOHSA-N 471.645 5.075 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)n2)CC1 1829243256 ODPCBZHGKCVBOW-PZJWPPBQSA-N 463.544 5.102 30 20 JKED Cc1nc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)o1 1829295478 INTCVGWTFRCCOP-NDEPHWFRSA-N 495.623 5.238 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1829589377 XSYJVNHGTRFTRO-RUZDIDTESA-N 483.616 5.013 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)c1Cl 1829689459 GFBQPVIBMHXTRZ-RGPPVUSESA-N 454.014 5.191 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1829900591 MENCGOOBLUFNPV-QHCPKHFHSA-N 484.427 5.341 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829994012 FRDFZXBBBUWTBM-VWLOTQADSA-N 497.561 5.443 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1830629536 ZTITZCOGCXVKCB-AREMUKBSSA-N 490.047 5.371 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830722172 BRFZYHFPPQYMBQ-JOCHJYFZSA-N 497.064 5.266 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1830770598 DNFOKYYTPKNXRL-AREMUKBSSA-N 475.658 5.065 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)c1 1830777052 DTSONZUQXJXTQA-JOCHJYFZSA-N 486.454 5.110 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cc(Br)cnc34)CC2)C1 1830999196 JQBRKBZJJBUKIJ-HSZRJFAPSA-N 496.449 5.197 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1)C(F)(F)F 1831453362 RBCLTWQRQIGZDW-OAQYLSRUSA-N 466.544 5.216 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)S)CC2)cc1Cl 1831844520 ARWUTMHXVXORPN-QRWLVFNGSA-N 487.493 5.332 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1831850822 NXBUIGIDQBAOMP-NRFANRHFSA-N 457.039 5.592 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(N(C)C)cc2)CC1 1832054389 LTKWWQMFSAOZBB-HHHXNRCGSA-N 465.682 5.073 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC=CCC1 1832406654 KLGSHJKWQNXTFK-ZEQKJWHPSA-N 487.566 5.557 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1832630002 WWLLQIIJUIJGCH-PLOYFGMMSA-N 487.619 5.490 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1832632357 NUJCXZILDXWUCX-FXKPEZSLSA-N 495.623 6.007 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1)c1ccccc1 1837685258 MAVSWKOFJMFWOG-DFHRPNOPSA-N 487.644 5.000 30 20 JKED Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(Cl)c1 9072973 FQLXBTITALRVOV-UHFFFAOYSA-N 464.974 5.916 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1cccc(O)c1)c1cccc(Cl)c1 11084562 KITCMUXZHGVSMJ-UHFFFAOYSA-O 462.776 5.147 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cccc(Br)c2)cc1 11089372 CWIKEXCQAZUUBC-UHFFFAOYSA-O 470.412 5.359 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247998 YARPGLFJCBIRAR-UHFFFAOYSA-O 485.869 6.113 30 20 JKED CCCCSc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 17110864 DZZZFLPDJMPSDQ-LBPRGKRZSA-N 452.696 5.752 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COc4cccnc4[N+](=O)[O-])c3C#N)C(C)(C)C2)o1 18532616 CSHPEURKMGUQLO-VQHVLOKHSA-N 490.541 5.620 30 20 JKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 21657220 PFPNARZDFAUPGZ-MRXNPFEDSA-N 489.439 5.254 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2c(NC(=O)C(C)(C)C)sc(C)c2C)cc1 26619149 ZTOHDOXYMRYVKU-KRWDZBQOSA-N 469.607 5.150 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 72074630 LHEXAPXTHMHIRS-CQSZACIVSA-N 489.881 6.470 30 20 JKED C=CCN(Cc1cccs1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 104835706 AJJMURJAVODDHX-UHFFFAOYSA-N 453.486 5.106 30 20 JKED Cc1nnc(SCc2c(C(=O)NCCSCc3ccccc3C#N)oc3ccccc23)s1 195731019 PRQMMHKSQDCMJP-UHFFFAOYSA-N 480.640 5.420 30 20 JKED Cc1nc(-c2c[nH]c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c2)cs1 487446044 LJFWFAZELLBHIY-UHFFFAOYSA-N 473.505 5.637 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 487992662 LKSODZVTABQJEH-UHFFFAOYSA-N 469.541 5.854 30 20 JKED Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N2CCC(C#N)CC2)n1C1CCCCC1 490110911 FFFSVLDIYAMCKR-UHFFFAOYSA-N 488.057 5.178 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 497989481 APYHOGPUPYFWLS-OAHLLOKOSA-N 472.467 5.261 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)c1 510265918 GYWWOOOHEXJCSL-JOCHJYFZSA-N 468.557 5.850 30 20 JKED CC(C)c1nccn1Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513995099 SYKBNPNDSBFBDU-UHFFFAOYSA-N 481.575 6.300 30 20 JKED CCOc1ccc([C@@H](CNC(=O)c2cccc(CC#N)c2)c2c[nH]c3ccccc23)cc1OC 514431315 DEQJEXCPEGWLJN-HSZRJFAPSA-N 453.542 5.203 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 515541883 AXCZIGCJQYCYAJ-QHCPKHFHSA-N 487.606 5.434 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Br)cc1 515911038 BUGOBLQRHJKQQG-QVKFZJNVSA-N 496.792 5.574 30 20 JKED COc1cc(C#N)ccc1OCC(=O)NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 516135377 XGXNXYLAKMVVBE-UHFFFAOYSA-N 481.508 5.242 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)CCC(=O)c3cccs3)cc2Cl)cc1 516399156 AQUAHJYDUBVFRC-UHFFFAOYSA-N 466.946 6.016 30 20 JKED CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 516441650 PHAKCIIHQTUMCF-DEOSSOPVSA-N 459.977 5.716 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1 516713573 ULPIXYIPCJAILN-HXUWFJFHSA-N 455.495 5.352 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)c2)cc1 518671901 JXCYOEHHELDMSU-MUUNZHRXSA-N 492.579 5.505 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1C 518904005 BNKJNRBLJWABOB-OAQYLSRUSA-N 469.614 5.710 30 20 JKED C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 519514566 KFMABVRSFMLISU-GOSISDBHSA-N 482.565 6.103 30 20 JKED CCOc1ccc2nc(-c3ccc(NC(=O)C(=O)N[C@@H](C)c4ccc(C#N)cc4)cc3)sc2c1 520432667 HZQIHLKMIBIZGQ-INIZCTEOSA-N 470.554 5.050 30 20 JKED COc1cc(CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C2CC2)ccc1OC(F)F 520854235 IKUZMUQSPXELAO-HNNXBMFYSA-N 461.534 5.745 30 20 JKED C=CCOc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 521492505 RMWGQYQDOGWNKI-IBGZPJMESA-N 463.361 5.200 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc(OC4CCCCC4)nc3)s2)cc1 522225966 NCESEEKMDUJFHY-UHFFFAOYSA-N 480.619 5.130 30 20 JKED COc1ccccc1CN1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 524442149 SLGCZMARQRJQQC-XMMPIXPASA-N 474.992 5.354 30 20 JKED N#CCc1ccc(OC[C@H](O)CNC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 567457329 HZCJTZOKPGGBEE-YKSBVNFPSA-N 459.977 5.049 30 20 JKED Cn1ncc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)c1C(F)F 589298576 SHEUBROYUXZARM-UHFFFAOYSA-N 484.372 5.695 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(F)cc1C(F)(F)F 590253414 TVMINUGVFMGGFP-UHFFFAOYSA-N 460.353 5.242 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603766018 JLWUSEFSKCHLFJ-LJQANCHMSA-N 475.957 6.463 30 20 JKED COc1ccc(OC2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 603828649 CWTXUUBCVDSHBU-UHFFFAOYSA-N 471.557 5.416 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc(NC(=O)Cc2ccccc2F)c1 603904180 OMUCLKCVNUISDW-LJQANCHMSA-N 497.526 5.542 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4sc(-c5ccccc5)cc4C#N)cc3C2=O)c1 603969395 QCIQYYPPJIYSEI-UHFFFAOYSA-N 477.545 5.957 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c2)cs1 603991575 CKCOWKISBJNVNG-UHFFFAOYSA-N 457.580 5.982 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 604085459 KNXVNRFDHARPHC-UHFFFAOYSA-N 477.568 6.012 30 20 JKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604088152 HEJGXGGVUWTFJI-QGZVFWFLSA-N 472.936 5.810 30 20 JKED Cc1csc(Sc2ccc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)c(C)c2)n1 608851953 JTOVCSBUAFBQCQ-UHFFFAOYSA-N 469.535 5.602 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)c1 608874261 AHFGUKNXJBXIPD-UHFFFAOYSA-N 482.927 5.690 30 20 JKED CC(C)(CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 608900599 OOQFBZSCKIQPJP-UHFFFAOYSA-N 486.494 5.135 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)c2)cc1 608994547 MOUKBUXYXVXAFJ-RUZDIDTESA-N 463.484 5.215 30 20 JKED COc1cccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1OC 609062905 JLXURKVVUWFMQU-UHFFFAOYSA-N 450.922 5.379 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F 609068780 WLQBQCKFRZDMHZ-UHFFFAOYSA-N 462.449 5.145 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(CN(C)Cc2ccccc2)CC1 609080226 TZBRSSOBVFCJLX-UHFFFAOYSA-N 482.628 5.822 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)c1C 609176294 DGBWMMMSNSVVJX-UHFFFAOYSA-N 494.551 5.511 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)c2)cc1 609177006 YRZXSCBCYJLVHO-UHFFFAOYSA-N 460.540 5.302 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)C(c1ccccc1)c1ccccc1 609405052 WXXVFXZPVLOOOB-UXHICEINSA-N 457.599 5.214 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)CC2)c2ccccc12 609563162 YTNWVAGNTKNSIM-QGZVFWFLSA-N 487.625 5.397 30 20 JKED COc1ccc([C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)c2ccccc2)cc1 610164953 DGLOQFQQKFTRJL-GDLZYMKVSA-N 478.596 5.351 30 20 JKED O=C(NCCc1ccc(OC(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612662946 OAJBUQQBCJHKKC-ITGUQSILSA-N 466.344 5.336 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613405250 VQOBMFZQIGGLQX-GOSISDBHSA-N 483.446 6.197 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2OCC)c1 614395768 PUHINEPFMAGBBA-UHFFFAOYSA-N 499.032 5.392 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1-c1ccc(OC)cc1 614508491 WLSLMHHUSSZBAZ-UHFFFAOYSA-N 491.642 5.882 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 622545252 HNWGUWAAPXMEOU-NSHDSACASA-N 465.413 5.172 30 20 JKED O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Cl)c(C(F)(F)F)c1 642193520 PJAKQAHCZYWEGQ-YUMQZZPRSA-N 477.776 5.547 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 642282427 QJNIAFSYTGSVBW-OAHLLOKOSA-N 472.904 5.919 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3ccccn3)C2=O)cc1 726407043 OAGVUGOCTUXNIU-JOCHJYFZSA-N 489.988 5.076 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3cccs3)C2=O)cc1 726421401 QGFXCXIAJJAEIS-PUHHMSNFSA-N 497.667 5.602 30 20 JKED CC(C)(C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1cccc(Br)c1 726657342 NHQBATYHWIENGD-UHFFFAOYSA-N 453.336 5.021 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726891647 PNYAIRXPVFIQMO-JXFKEZNVSA-N 480.615 5.182 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 728185580 LZNQXIGZUVBZJO-UHFFFAOYSA-N 462.549 5.500 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCCCC#N)C2=O)cc1Cl 728777244 JTAFUNPHQGOGGQ-FQEVSTJZSA-N 470.982 5.003 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)cc1 729113283 YQBGZVMZKRKYOA-QHCPKHFHSA-N 483.549 5.971 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 729668466 KVGOFUWZMNJIIB-UHFFFAOYSA-O 471.986 5.356 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943737 KBAUPSMMNZREIT-KSFYIVLOSA-N 480.540 5.390 30 20 JKED CC(C)Oc1cc(Br)ccc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731075619 GHBAKXDENTVETR-HNNXBMFYSA-N 491.407 5.284 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3ccc(Br)cc3)n2C)cc1 731192464 DOPFPBRPCMUUHK-UHFFFAOYSA-N 452.352 5.414 30 20 JKED C=C1CCN(C(=O)c2cc(S(=O)(=O)N(CC)c3ccccc3)c(Cl)cc2Cl)CC1 731197643 YDOAKAGJTXPTDM-UHFFFAOYSA-N 453.391 5.001 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(Cl)s2)c1 731312278 LZMFTBMBXWQTQI-FQEVSTJZSA-N 496.013 5.249 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccncc2)n(-c2ccc(C)cc2)c1=S 745162290 LMJCCCCEZRSEOB-UHFFFAOYSA-N 452.587 5.291 30 20 JKED COc1cc(C(=O)N(C)c2snc(C)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 748242867 URPPQNPUEIVXCR-UHFFFAOYSA-N 462.358 5.494 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(c3cccc(OC)c3)CC2)c1=S 748301109 RRULCQRRMMHXPN-UHFFFAOYSA-N 450.608 5.121 30 20 JKED Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 761983074 RARVFIQFENKVGU-UHFFFAOYSA-N 484.581 5.252 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CC(F)(F)F)C1=O 799215845 QWPUDPPQAJOABR-QGZVFWFLSA-N 485.915 5.180 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1OC 836876014 KPIFUFCQFIWXBM-WZUFQYTHSA-N 460.452 5.279 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837386884 CZJYSQGVHKUVLJ-VGOFRKELSA-N 462.550 5.251 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccs3)C2=O)c1 837875025 MSGGPNFBZXTFQQ-QFIPXVFZSA-N 495.626 5.234 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 837883363 FNVKOGWSIXZVES-QVKFZJNVSA-N 482.968 5.596 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@H](C)c2ccccn2)c1 838285738 OPTQSCWDZXCOMO-HOYKHHGWSA-N 488.613 5.374 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1OC 838531051 JDGFQZJREZFMAW-XMMPIXPASA-N 491.613 5.235 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCc2cccs2)C1=O)Nc1ccccc1F 838545988 LWHCIHJNZIQKDO-HXUWFJFHSA-N 489.544 5.368 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2ccccc2CC#N)cs1 849211298 ZVMADZDKLDVTIB-UHFFFAOYSA-N 460.342 5.558 30 20 JKED CC(C)Cn1cc([C@H]2N(C(=O)c3ccccc3Oc3ccccc3C#N)CC23CCOCC3)cn1 849538493 LGPYVBSVYGFACC-AREMUKBSSA-N 470.573 5.197 30 20 JKED CC(C)N1CC[C@@H](C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)[C@@H](c2cnn(C)c2)C1 849599910 DJQUASONBDZCJW-DNQXCXABSA-N 494.064 5.549 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)nc(O)c2C#N)cc1 857991600 LGPSJKGWBLRFTN-LLVKDONJSA-N 475.357 5.156 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 901383305 RKKXDAYQSOHYTR-HNNXBMFYSA-N 471.941 5.403 30 20 JKED CCN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H](C)c1ccc(C#N)cc1 914509636 UPNMYUJXBSRANZ-RZKQZQCBSA-N 469.657 5.211 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccc(F)c2)C1=O 914772690 LKCCEWVIOCIHFA-JOCHJYFZSA-N 499.514 5.273 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 914909071 SYYXSAOGCUPCQP-SFHVURJKSA-N 463.559 5.009 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1OCc1ccccc1 915055299 GOTVADZQWJALRD-UHFFFAOYSA-N 465.509 5.894 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 915576892 ACOBZRYHXDRTOG-KRWDZBQOSA-N 495.988 5.454 30 20 JKED CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 916057322 QCLBCULVPXLVFX-NRFANRHFSA-N 485.968 5.074 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C[C@H]2CCCO2)c1 916204759 BFOBBFNZBPHAOB-QPPBQGQZSA-N 473.598 5.288 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccco2)c1 916204834 DYUGLHBLXLUWQF-OAQYLSRUSA-N 483.977 5.411 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc2ccccc12 916210245 YSCPMOLICMCPRP-NZQKXSOJSA-N 477.561 5.118 30 20 JKED CCOc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)ccc1OC(F)F 916272887 MWWBFPZTDSEVOI-UHFFFAOYSA-N 489.931 5.969 30 20 JKED COc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 916367961 SEFLDQYHTUZLNI-SFHVURJKSA-N 479.389 5.195 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 916628004 HHPNUYYBACZJIT-FPOVZHCZSA-N 463.990 5.501 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccccc1Oc1ccccc1 916910431 SXWRMYGCASLIEC-FQEVSTJZSA-N 487.462 5.692 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916945565 XFONXDAUPSPLMO-HXUWFJFHSA-N 452.297 5.207 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 916951253 XYSJBIGZGRFSPG-MHECFPHRSA-N 453.542 5.722 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cs1 917564122 XBZLUUKUMIKZFX-LFIBNONCSA-N 474.969 7.170 30 20 JKED CC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4cccc(C#N)c4)c3)SC2=S)cc1 917643169 DFGONTIDLYHHKS-ZVHZXABRSA-N 470.575 5.746 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCN(C(C)(C)C)CC1 917664383 HDOSUVKSKRARJC-HSZRJFAPSA-N 496.652 5.357 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2ccc(C#N)cc2)C1=O 917671120 LPDUZZSHHTUCPY-RUZDIDTESA-N 498.608 5.344 30 20 JKED COc1ccc(/C=C2/N=C(S[C@H](C#N)Cc3ccccc3)N(c3cccc(OC)c3)C2=O)cc1 917846652 YVEGVEQIIGVELM-CFUMORPUSA-N 469.566 5.316 30 20 JKED Fc1ccccc1-c1nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=S)n1C1CC1 918735824 RCBBVMVATIHNQR-VXGBXAGGSA-N 468.442 5.575 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 919904259 CHXMZFKUWAYWKK-VWLOTQADSA-N 472.976 5.375 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C)cc3Br)n2)cc1 920139365 SJSCHTXEIJBEGJ-HKMNZKMDSA-N 453.361 5.779 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2cccc(C)c2C)no1 920353374 IEMLMCHPXREJMK-QFIPXVFZSA-N 497.020 5.722 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3c(C)noc3C)C2=O)c1 920354294 AIRUDEZJSWIVBH-QFIPXVFZSA-N 498.555 5.347 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc1C 920853478 AWCYSBWCLUUORV-UHFFFAOYSA-N 464.573 5.533 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CC[C@H]4CCCN4C(=O)OC(C)(C)C)CCC3)cc2)C1 1785807929 VZVKUYNLKYZJSZ-HSZRJFAPSA-N 481.637 5.266 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)COc4cccc(Cl)c4)cc3)CCC2)c1 1785992117 LGVYLXXAGPNAQT-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1786104444 SYWSOVRLZJKFDM-ZTOMLWHTSA-N 493.648 5.288 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(OCC)c(Cl)c3)CCC2)cc1 1786367530 SWWCPRPZDXEIDM-UHFFFAOYSA-N 488.987 5.608 30 20 JKED Cc1cc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)ccn1 1786742203 NRMYTUBWUICGDY-UHFFFAOYSA-N 472.976 5.296 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccncc5)[nH]n4)cc3)CCC2)c1Cl 1789793965 HADSUNKTRXDZGJ-UHFFFAOYSA-N 496.958 5.058 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c(Cl)cccc45)CCC3)cc2)c1 1790075509 DUUABZMWHZDYPC-UHFFFAOYSA-N 499.958 5.158 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c(C)n1C 1790082456 AZDBBABDLKKILB-UHFFFAOYSA-N 460.965 5.229 30 20 JKED CC(C)(C)n1ncc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)c1Cl 1790255274 SXZRNGRRUAGQEZ-UHFFFAOYSA-N 475.980 5.225 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)cc2)CCC1 1790478135 NMCQLPVTZARZPZ-QFIPXVFZSA-N 477.561 5.048 30 20 JKED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)C3=CCCC3)CCC2)cc1 1790525775 VQZORVHRXFYVBE-RUZDIDTESA-N 487.600 5.102 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-n4cncn4)c3)cc2)CCC1 1790780199 PEHPOIWRJKAONJ-UHFFFAOYSA-N 457.578 5.007 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(OC)cc4)on3)CCC2)cc1 1791248105 SFJHHYXBTQJNFG-GOSISDBHSA-N 459.546 5.310 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc4n[nH]cc4c3)CCC2)cc1)c1ccc(O)cc1 1791642357 GXCOECVNBYDHRE-NRFANRHFSA-N 492.579 5.213 30 20 JKED COc1ccc(F)cc1CC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1791675935 KODBXLTZFSJROK-UHFFFAOYSA-N 485.559 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)c1 1792123052 HWKSAWYFYOSEFW-GOSISDBHSA-N 465.544 5.887 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c1 1792123715 PJIIJXNOEHLSQR-JXOMPUQVSA-N 483.593 5.562 30 20 JKED C[C@H]1CCc2c(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@@H](C)C#N)c5)cc4)CCC3)n[nH]c21 1792124020 YOBOUXBNSMFQBO-ROUUACIJSA-N 467.573 5.148 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3(C)CCCC3)CCC2)cc1 1792336625 CPEZYNGTJIYDSI-WHLCRQNOSA-N 481.637 5.170 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)ccc1C(F)(F)F)C2 1797103176 MBCUKOQQLAWQFT-BTTYYORXSA-N 492.391 5.330 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(F)CCCCC1(F)F)c1cc(F)ccc1C(F)(F)F 1797806521 DJBBALQYQOHYAE-IGMJJTELSA-N 480.424 5.014 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2sccc2s1)c1ccc(O)cc1 1798034017 UNCANNVOGLLVNA-HAGHYFMRSA-N 478.639 5.117 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(C(F)(F)F)c1)C2 1798340025 KQPXJJJQHSRHAI-MHORFTMASA-N 499.371 5.488 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)CC1 1801817453 MRWPKAXVBUSFKZ-GHBCEBDRSA-N 475.555 5.291 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccnc2-c2ccc(F)cc2)C3)c1 1803680466 FRNNVKQASMDRHG-FUJBWUKOSA-N 482.559 5.080 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C2)CC1 1804742726 KNVKFCXSTPDVOS-UHFFFAOYSA-N 456.030 5.659 30 20 JKED CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1806280732 RNZWDLGVZAJJFT-OZBXUNDUSA-N 480.612 5.222 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1808890236 STNZCURDOROJLM-GJZUVCINSA-N 493.051 5.533 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)C3)CC2)c1 1809633483 MEADBFDPYDSHFJ-RZDMPUFOSA-N 496.655 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CC[C@@H]4CNc5ccccc5C4)C3)CC2)c1 1809843818 KSUWBUFKCUMJDP-RPWUZVMVSA-N 498.671 5.223 30 20 JKED Cc1c(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4)CC3)C2)[nH]c2c(Cl)cccc12 1810728750 RKPBFKWPFMJMFY-UHFFFAOYSA-N 474.992 5.160 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@H]1c1cccnc1 1811367354 IUAXMWBXDWNZIQ-OPAMFIHVSA-N 495.904 5.016 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811538093 HZCRINVLCZYQMN-BVAGGSTKSA-N 489.566 5.588 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1)C(F)(F)F 1812682558 RGFVIKAQSMKTJG-TZIWHRDSSA-N 453.549 5.203 30 20 JKED CC1(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CCCCC1 1813001505 CNUBJWTUTIEHKA-UKILVPOCSA-N 467.730 5.109 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC[C@H](CNC(=O)C3(C)CCCCC3)[C@@H]2c2cccnc2)cc1C#N 1813004631 HXOMJTNYPCYBML-BVAGGSTKSA-N 488.632 5.030 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1813057793 ICSYLSJTBPELIZ-DFHRPNOPSA-N 466.585 5.105 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)[nH]n1 1815212969 LYYVUGFGRFGTNZ-UWJYYQICSA-N 492.542 5.035 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccccc3C(F)(F)F)n[nH]2)c1 1816908452 CZASMTKQJKTWNR-QFIPXVFZSA-N 495.505 5.157 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5ccccc5o4)sc3C2)c1 1818328639 HJNGGVIPTGLBRG-HNAYVOBHSA-N 470.554 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Br)c2F)[nH]n1 1819309617 YNZSAAOKGTWIEH-BEFAXECRSA-N 489.389 5.386 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(C)noc1-c1ccccc1)CC2 1819599199 AOSIKQKOYJOVHS-RBUKOAKNSA-N 476.602 5.101 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820099620 VUKIBCYSLGJJAL-PGRDOPGGSA-N 487.629 5.951 30 20 JKED C[C@]1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CC=CCC1 1821310502 ADCZVSWPWRCFAW-RDPSFJRHSA-N 485.510 5.352 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821521947 BHGKLVVNYZEUMA-FQEVSTJZSA-N 470.533 5.007 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1)C(F)(F)F 1821992351 OBAJETIZYWIBLZ-GFCCVEGCSA-N 454.499 5.110 30 20 JKED CSc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1822596064 LUKHAPSCIMUAHU-MHECFPHRSA-N 487.629 5.307 30 20 JKED COc1cc(C)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1823161737 UZQTVKBZUXEBSA-JOCHJYFZSA-N 480.685 5.084 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1823215778 DACLJAAWJBTTBR-WYEJZRMESA-N 480.572 5.284 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)nc3ccc(F)cn23)CC1 1823753041 BZXHGPAGRKICHZ-JOCHJYFZSA-N 468.617 5.008 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1F 1824455997 DDYJFZUNUALDEQ-HHHXNRCGSA-N 475.608 5.066 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)C1 1824839227 ISLCCNKJERSACS-UPWIVDSGSA-N 460.540 5.305 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)c1 1828414217 SQIAVHIOVNVGCB-RDPSFJRHSA-N 453.602 5.219 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 1830714573 BBLYZIPAGCEYJJ-QHCPKHFHSA-N 471.935 5.037 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)cc12 1830718147 BSWJBVYMOBANPB-AREMUKBSSA-N 472.564 5.034 30 20 JKED CCOc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830722517 KZVOCXYHKNWZEG-VWLOTQADSA-N 480.008 5.157 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 1830771022 MQPFAGRGAZZLAS-QHCPKHFHSA-N 467.972 5.206 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830879155 YOXTWDOTJIKOBJ-AHWVRZQESA-N 480.052 5.890 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c1Cl 1831482013 RDNIMTZGFXXJAA-USHXRURQSA-N 468.041 5.271 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1)c1ccc(O)cc1 1831926357 RGQVMJNOYCZQIZ-LSYYVWMOSA-N 498.623 5.569 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1 1832558166 RVVNPZVQUWPLLO-PIKZIKFNSA-N 469.629 5.738 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc(C)c1O 1832579935 KJFFBOVNSPBHTG-XMMPIXPASA-N 480.008 5.081 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634332 PPOXAVAXYCRLES-NEKDWFFYSA-N 471.645 5.407 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1832634614 XTXHDJVMWPNMGS-SBUREZEXSA-N 499.442 5.563 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832687920 GASFCIMRQYMZKG-DENIHFKCSA-N 464.984 5.620 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1833290437 XBSRAPSLFKXOFZ-UHFFFAOYSA-N 484.040 5.040 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3csc4c3CCCC4)CC2)CC1 1836696554 DTBNFZCDDZAYGK-UHFFFAOYSA-N 470.679 5.008 30 20 JKED C=C(C(=O)N1CC2(CCCN2C(=O)c2c(Br)cccc2-c2ccccc2)C1)C(F)(F)F 1844724994 XZKPFLIEQSGTLL-UHFFFAOYSA-N 493.323 5.052 30 20 JKED CCOc1ccc(-n2c(COc3ccc(Br)cc3)nnc2S[C@H](C)C#N)cc1 9163078 OPBZENIIHFZIKC-CQSZACIVSA-N 459.369 5.012 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(N3CCCC3=O)c2)nnc1-c1ccc(C(C)(C)C)cc1 10409596 QFCASDZUQIBDBA-UHFFFAOYSA-N 489.645 5.286 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C#N 10711056 GYMXMWGXDWMDJP-UHFFFAOYSA-N 469.872 5.020 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(CC)cc2)c1C 10832990 LATMFTFQCJEKCT-UHFFFAOYSA-O 485.029 5.362 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nc2sc3c(c2c1=O)CCC3 11150717 XGIWWEMEFJBOCN-INIZCTEOSA-N 453.633 5.177 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccsc2)n(C2CCCC2)c1C 12484194 BBJUTYFTUQFGPA-UHFFFAOYSA-N 490.585 5.201 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)c(OC)cc2C)nnc1-c1ccc(Cl)cc1Cl 14712810 XWQFMMXJACIKQT-UHFFFAOYSA-N 493.416 5.494 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2sccc2c1=O 16726971 KBQCALSYUSHPIZ-JTQLQIEISA-N 473.929 5.436 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 22187231 FHJVWKPENRBCQD-GFCCVEGCSA-N 482.368 5.003 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(C(CC)CC)cc1 22795190 LSSSPHOSOHSESJ-UHFFFAOYSA-O 450.455 6.289 30 20 JKED CCN1C/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)/C(=C/c2ccc(OC(F)F)c(OC)c2)C1 23776680 MZNKINGULGXYNP-BUOZRGFLSA-N 495.469 5.278 30 20 JKED C[C@H](NCc1cccc(COCc2ccco2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 30511418 ILTRGILLZPIWKW-SFHVURJKSA-N 463.603 5.315 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccc(OC)cc1 32326476 BVJHEZUDVDSUJP-FQEVSTJZSA-N 456.999 5.549 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 216192007 ZVIBUYVBPHPANF-XMMPIXPASA-N 462.500 5.054 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3sc(-c4ccco4)nc3-c3ccccc3)CC2)c1 303261615 PITLXOKXBLTJPJ-UHFFFAOYSA-N 455.539 5.625 30 20 JKED N#CC1CCN(C(=O)c2cc(/C=C/c3cccs3)nc3ccc(Br)cc23)CC1 490848639 FJFCPHTWUHQDJY-SNAWJCMRSA-N 452.377 5.605 30 20 JKED CSc1nc(O)c(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)cc1C#N 497942010 YWYTTWAGLLXPDZ-SFHVURJKSA-N 497.407 5.731 30 20 JKED CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 498003207 SCYPCBMCTTZAQE-MJGOQNOKSA-N 468.985 5.553 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1)c1ccccc1 502619764 VXOWMUFOOZSDGK-HHHXNRCGSA-N 482.584 5.657 30 20 JKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 503594374 NAHBWPNFBBQIJK-QFIPXVFZSA-N 460.965 5.681 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1 510855993 BUJFBECIUQGDII-RUZDIDTESA-N 457.530 6.045 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 511381955 JPFLMRCUIYAQNK-VWLOTQADSA-N 454.574 5.118 30 20 JKED Cc1sc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c(C#N)c1C 514450266 WLQXVMFKBNSENW-UHFFFAOYSA-N 454.349 5.504 30 20 JKED C=CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1nc2c(s1)CCCC2 515316883 YSSNHRLQTAOUNJ-UHFFFAOYSA-N 494.539 5.385 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccco1 515341067 UXOIUIMCSVWAQR-JPLJXNOCSA-N 461.591 5.528 30 20 JKED COC[C@H](C)n1c(SCC(=O)N(Cc2ccccc2)c2ccccc2C#N)nnc1-c1ccccc1 515394340 PCINSYWYYQIIDF-NRFANRHFSA-N 497.624 5.350 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 517322053 JCFFFTDGVJUQBW-UHFFFAOYSA-N 483.355 5.348 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 517532619 ODKFDNDGPBOYEY-PPHZAIPVSA-N 487.625 6.278 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 518689541 HVHCRVSOQDOMKK-SANMLTNESA-N 455.558 5.202 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 518700093 QTBZCXHCGPKPCP-UHFFFAOYSA-N 462.815 5.126 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 519418876 GZDMCQQGQDWPNB-AWEZNQCLSA-N 458.996 5.656 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccccc2Cl)on1 519433784 CRPRACSNNLHNNK-UHFFFAOYSA-N 451.857 6.272 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)N1CCCCC1 520194976 NXZKUSZBOMDEPJ-SIKLNZKXSA-N 452.624 5.438 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(OC)cc2C(F)(F)F)cc1OC 520220136 YJWPJNYHPQJGSC-UHFFFAOYSA-N 460.290 5.340 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2c(F)cccc2F)cs1 521263250 DYIUDMZRGJTNON-LJQANCHMSA-N 499.498 5.375 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 521729433 QOXPNTZRTCSJFH-UHFFFAOYSA-N 455.608 6.168 30 20 JKED COc1cc(-c2noc(CCC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)n2)cc(Cl)c1OC 524572556 GEWPDLIMUNBORG-OAHLLOKOSA-N 495.750 5.028 30 20 JKED Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(OCc5ccccc5C#N)cc4)C3)[nH]c2c1 550661986 LPWZJCREWMHWMY-QFIPXVFZSA-N 450.542 5.342 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(Br)cc1 553026236 GYBMQKXCVHZCQQ-UZLBHIALSA-N 458.425 5.619 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 553301655 LBBMGQQQNQJQMC-HXUWFJFHSA-N 499.665 5.841 30 20 JKED N#Cc1ccc(N2CC[C@H](Sc3nnc(-c4ccccc4Cl)n3C3CCCC3)C2=O)cc1 589696807 IRWZPZLWPFPVKK-NRFANRHFSA-N 463.994 5.483 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590332544 QWWYZSFBZIKXGW-HOTGVXAUSA-N 492.435 6.744 30 20 JKED Cn1ccnc1Sc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 590655098 DLMPENCDWPSPKF-UHFFFAOYSA-N 499.621 5.426 30 20 JKED CC(C)CN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(C#N)cc1 603529027 OKINKIKSJQLBLD-VWLOTQADSA-N 459.977 5.762 30 20 JKED COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 603818669 ZSXFMMULYYNNDN-CYBMUJFWSA-N 453.951 5.483 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)ccc1OCc1cscn1 603992322 PGSPASZCHJILAU-UHFFFAOYSA-N 473.579 5.682 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cs2)cc1OC 603995654 RRINUQZIAJMCBG-UHFFFAOYSA-N 484.537 5.204 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604364086 DUBCPFBSXOTHBV-GASCZTMLSA-N 457.374 5.945 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604561880 SMQQTLODKSSQIU-OAQYLSRUSA-N 493.361 5.886 30 20 JKED COc1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)ccc1OCc1ccc(Cl)cc1Cl 608983163 MYRXFTIGVFXZBR-UHFFFAOYSA-N 497.426 5.606 30 20 JKED COc1cc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[nH]c2c(OC)c1OC 609072824 IZKKSALNZFERNM-UHFFFAOYSA-N 491.931 5.550 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 609079144 MAVHNFJLAJJOLM-NRFANRHFSA-N 499.489 5.026 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c2)cc1 609208940 QZMKVUCBOGZLPZ-LJQANCHMSA-N 454.555 6.372 30 20 JKED CN(C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)cc1F 609217580 JYAMZCVGCKHVFG-UHFFFAOYSA-N 471.439 5.302 30 20 JKED CCOc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2F)c2c[nH]c3ccccc23)cc1OC 609252580 CBGVGTRANGSSHM-QFIPXVFZSA-N 486.547 5.217 30 20 JKED COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)NC2CCN(CC#N)CC2)cc1 609330149 KPAZEFSAPHFVSN-QWODIWHTSA-N 480.612 5.084 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 609439652 KHQMEMYCUDZETC-UQBPGWFLSA-N 455.583 5.194 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)oc2c1C(=O)CCC2 611865291 ZXHSGWMRXYCLHJ-UHFFFAOYSA-N 459.449 5.297 30 20 JKED O=C(NCCCNc1ccc(C(F)(F)F)cn1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612723323 CYRQXTGIUWTCKJ-VXGBXAGGSA-N 480.375 5.111 30 20 JKED N#C[C@@H](C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1 612894859 RZXOLKULHOPXMF-QFIPXVFZSA-N 496.979 5.712 30 20 JKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2C2CC2)cc1Cl 613403372 GCXFRVBOEHIVEY-MRXNPFEDSA-N 465.891 5.946 30 20 JKED C=CCn1c(SCc2ccc(F)c(Br)c2)nnc1[C@@H]1COc2ccccc2O1 614382928 SIYGGURKROBHTN-SFHVURJKSA-N 462.344 5.171 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 623650171 PSNIDRPQZCVITN-HNNXBMFYSA-N 482.344 5.091 30 20 JKED C=CCn1c(S[C@H](C(=O)N(C)Cc2ccc(OC)cc2)C(C)C)nnc1-c1cccc(C)c1 639426243 BONIYOJPKWCAJH-QHCPKHFHSA-N 464.635 5.223 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)N(CCC#N)c1ccccc1 725970095 SDYQPFDSLFRCSV-INIZCTEOSA-N 487.503 5.250 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C(C)C)cc2)cn1 726112622 OFMIOIBIMNGSFN-QHCPKHFHSA-N 493.608 5.326 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2c(c1)CCC2 726394620 WHLFUKUGWYLOHV-YADARESESA-N 479.646 5.177 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)cc1 726396974 GGWJPYJLJDLLMN-KKSFZXQISA-N 474.026 5.342 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@@H](C)c2cccs2)n1 726422029 RODBJWRXRAOIMI-AIZZMXMBSA-N 464.616 5.042 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc3c(c2)CCCC3)c1 726573620 NDIVMXWSGYKCHG-UHFFFAOYSA-O 470.574 5.374 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726889776 SHWLPXOIAIOOEC-YWZLYKJASA-N 498.605 5.321 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(OCC#N)cc3)C2=O)c1 727650641 PGOAFPPSACELET-VWLOTQADSA-N 498.608 5.366 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccccc1F 728777627 LSFDUGHDVDYRRJ-IBGZPJMESA-N 493.391 5.787 30 20 JKED CCOc1c(Br)cc(/C=C(/C(=O)c2cccc(OC)c2)c2ncc[nH]2)cc1OC 729240516 QZMNCMLPZIHVEZ-YVLHZVERSA-N 457.324 5.012 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1OC 729435532 WMZXFNKCNBEUBC-QGZVFWFLSA-N 487.940 5.113 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2ncccc2C)C1=O 729631465 JAEKGGKXDTYHJS-YUGFFRFOSA-N 494.642 5.050 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 729634436 MGWKRECDHBGMMW-AREMUKBSSA-N 494.620 5.381 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCc3c(C)noc3C)C2=O)cc1 730445008 SCMPIOSXOHICPM-JOCHJYFZSA-N 497.020 5.456 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730459908 OVXNQZVVNRLISV-GOSISDBHSA-N 467.900 5.270 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(CC)c2)N(C[C@H]2CCCO2)C1=O 730536341 HZIVEIXEEBFKSK-QPPBQGQZSA-N 495.645 5.177 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1 730745861 VGNVJPGNAZPYTM-GOSISDBHSA-N 463.875 5.766 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnc2ccccc2c1C(F)(F)F 731067551 YGHSNBKMAUSUNZ-AWEZNQCLSA-N 473.476 5.443 30 20 JKED Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1 731067842 JVWSKXCXZXJPTH-INIZCTEOSA-N 451.573 5.166 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 731114346 OQAOEIILALNMHV-MRXNPFEDSA-N 478.540 5.115 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 731400825 VEEKGAYZPLBEPC-INIZCTEOSA-N 460.550 5.473 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 743525013 OIGSPUMVINJDBR-VGSWGCGISA-N 462.550 5.251 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)c1 743526205 OSISBUYIBVKEAF-NRFANRHFSA-N 482.968 5.343 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2s1 744936167 NCFWNFDQIIOLTE-QGZVFWFLSA-N 490.610 5.957 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)o2)cc1 746417270 VFHQDHMTLGKEMZ-GOSISDBHSA-N 498.391 6.590 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 747112432 VUKQAUZIIBAYGN-MRXNPFEDSA-N 499.206 6.314 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn(-c2ccccc2Cl)c1 747561449 JVNYZAAMTHXRAF-IBGZPJMESA-N 456.889 5.279 30 20 JKED N#Cc1ccc(COC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)c(F)c1 818158335 JRIDMXVHYSNOQY-UHFFFAOYSA-N 472.423 5.382 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1ccc(Cc2ccccc2)cc1 839408979 XNDRQBOLMZSNBD-UHFFFAOYSA-O 470.445 6.249 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2C2CC2)c1 913119474 OHKMNMGCPXNBDW-LJQANCHMSA-N 491.400 5.075 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(CN2C(=O)CSC2=O)c1 914519663 AEHIETWTZYNLOX-UHFFFAOYSA-N 473.529 5.048 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cc1 914694826 WGFXMDBGXSKFDI-BTYIYWSLSA-N 471.648 5.125 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1nc2ccccc2n1C(F)F 915103965 IMYHOVWNJGOSBR-QGZVFWFLSA-N 490.432 5.179 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CC2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 915116820 PXPYDBQVZSYUII-IBGZPJMESA-N 490.944 5.148 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=O)Nc1ccccc1F 916209593 OHRJPXBGQRZSGK-OAQYLSRUSA-N 469.488 5.264 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccn2)cc1 916211756 GAPAKNHRKZPUMP-VWLOTQADSA-N 480.593 5.704 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916720272 LZCZKRMJRXILKD-BDXFJIPASA-N 482.606 5.251 30 20 JKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 916846740 DGVBHCBBOJIPBP-QGZVFWFLSA-N 476.583 5.040 30 20 JKED N#C[C@@H](C(=O)CCCOc1cccc(Br)c1)C(=O)Nc1ccc(SC(F)F)cc1 916886094 DEZUPCSOSLNRGC-KRWDZBQOSA-N 483.334 5.270 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916888236 UGTCPXJDLYLARS-JOCHJYFZSA-N 477.492 5.413 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(COc2ccc(F)cc2)o1 916904600 GYKJHHASCHJZML-JOCHJYFZSA-N 470.456 5.751 30 20 JKED C[C@@H]1Oc2ccccc2N(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O 916996421 MDTVTZOVVXVGOR-XJKSGUPXSA-N 486.380 5.497 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1nc2cc(Cl)ccc2s1 917046095 FHRBIVOLCITRNC-BBRMVZONSA-N 489.931 5.280 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cs1 917536740 VSIMCNOSSAWTHO-UHFFFAOYSA-N 491.642 5.367 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C=Nn1c(S)nnc1-c1cccc(Br)c1 917592090 VWZDLAWQBWGDSP-UHFFFAOYSA-N 473.787 5.026 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)cc1 917663747 FLFSZKHBEPOSHA-NRFANRHFSA-N 481.574 5.250 30 20 JKED C[C@@H]1CCCC[C@H]1OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917703477 NCLNGKBKOITRSA-FOVJLYNBSA-N 490.629 5.114 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2C[C@@H]2CCCO2)c1 917710088 QTMPSCYPEQGKAP-ZEQRLZLVSA-N 494.661 5.015 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn23)cc1Cl 917722048 CEPPVQKGDZQCKA-KRWDZBQOSA-N 457.342 5.097 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 917806132 UCPOEZGYXDSARC-UHFFFAOYSA-N 473.529 5.759 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)CSCc3ccc(C#N)cc3)cs2)cc1 919207944 QMOVTDPQNNTUOW-UHFFFAOYSA-N 465.600 5.238 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cc1 919511964 NHCURZJXBZZYSH-SFHVURJKSA-N 496.633 5.103 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2c1C 920113891 SMYUOCRTFJQKMI-MRXNPFEDSA-N 450.614 5.790 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 920353807 SGOYSVISBKTAQD-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cc(C)on3)C2=O)cc1 920359150 HTXPISOWZQDSBX-HSZRJFAPSA-N 476.602 5.575 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc2ccccc12 920866408 AZHDYTBQTMCDBN-MHECFPHRSA-N 491.613 5.091 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 920868105 INMRJDUDIXRVSB-IERDGZPVSA-N 474.026 5.200 30 20 JKED N#C[C@@H](COC(=O)c1ccccc1NC(=O)c1ccccc1Br)Cc1ccc(F)cc1 920877239 YZNVDBBTIFZUIE-KRWDZBQOSA-N 481.321 5.380 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(c1cccc(Br)c1)C1CCCCC1 1538516303 MBPOYEQQMDMCAZ-UHFFFAOYSA-N 456.384 5.337 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3(CNC(=O)OC(C)(C)C)CC3)cc2)CCC1 1785873985 FMMLYKJNNPJIFB-JOCHJYFZSA-N 481.637 5.194 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5o4)CCC3)cc2)c1 1786041647 SAFZOAOHFNJGRL-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4COc5ccccc5O4)cc3)CCC2)c1 1786312641 YKJJHMGAUSHMMT-CPJSRVTESA-N 495.579 5.291 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Sc3ccccc3)CCC2)cc1 1786364878 VBTAFWIIYBWRIH-HXUWFJFHSA-N 452.620 5.284 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1786375008 IJQRZRHJGQXIDM-HNNXBMFYSA-N 464.459 5.183 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C(F)(F)F)cc2)CCC1 1786782500 NXJXTLAKPCITHZ-QGZVFWFLSA-N 459.512 5.379 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)CCC1 1787110480 SBQVOMZVFBAGFP-CQSZACIVSA-N 488.535 5.162 30 20 JKED CCc1nn(C)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c1Cl 1787122607 UFVPCTQVJLYYBC-UHFFFAOYSA-N 496.398 5.222 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)nc5ccccc45)CCC3)cc2)CC1 1787881409 MEUGZAWXJLHYBR-UHFFFAOYSA-N 478.474 5.305 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Cl)ccn34)cc2)CCC1 1788384421 KHESOXNMKWFSFZ-NRFANRHFSA-N 462.981 5.504 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788803743 PSPYODGIZTZIMJ-UHFFFAOYSA-N 483.568 5.006 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)N3CSCSC3)CCC2)cc1 1789626239 GLRLNWOTFGFLHG-SFHVURJKSA-N 461.697 5.156 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccncn4)noc3C)CCC2)cc1 1789626536 VEJXJIHLYSKUMV-UHFFFAOYSA-N 473.577 5.180 30 20 JKED CC1=C(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)CCO1 1790784913 ANJQBGAAZSQVSP-UHFFFAOYSA-N 469.463 5.019 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4sccc4c3O)cc2)CCC1 1790933588 HGKZROKSVWGXFG-MRXNPFEDSA-N 465.575 5.156 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1791834442 CARADGQDKRLFKA-QGZVFWFLSA-N 474.561 5.021 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)CCC2)cc1 1792266911 ACEHHFVBNMRUIQ-UHFFFAOYSA-N 472.507 5.569 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3nc(C)sc13)C2)c1ccccc1 1798554523 QEJWESAQWORSTM-BJESRGMDSA-N 471.626 5.054 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(-c3ccccc3)cn3ccccc23)c1 1799192528 FYRQHPVUJZPGLB-NUNAXRQHSA-N 492.554 5.183 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cc(F)ccc3OC)cc1Cl)C2 1801638011 ZITBRSHDMOKQBX-DVWBAYGPSA-N 484.999 5.619 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1802503810 UJMDATJVXSSABP-NZQKXSOJSA-N 476.646 5.312 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1802733747 GNTYAISUVDLSJK-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1803091429 NIRCLLRGLHBGKR-ZEQKJWHPSA-N 473.642 5.693 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1803091677 QARIQSKMKXIRKC-HOFKKMOUSA-N 491.607 5.098 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@@H](c4ccccc4)N(C)Cc4ccccc4)CC3)C2)C1 1804785379 BHTUFZZMVVKEGD-MUUNZHRXSA-N 485.672 5.057 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)Cc3nc(-c4ccccc4)sc3C)C2)CC1 1806897906 IOOXLCIYFJWKPT-UHFFFAOYSA-N 487.616 5.104 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1807972499 ZIXNCOGZQQTPQL-NNMXDRDESA-N 480.659 5.149 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1809106243 NUGWUSARXPHHGR-NFBKMPQASA-N 476.646 5.312 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1809158985 PHJHMQUMHGIDKH-DHLKQENFSA-N 457.574 5.224 30 20 JKED CCCC[C@H](CC)COC(=O)c1ccc(C(=O)N2CCC3(CCCN(C(=O)CCC#N)C3)CC2)cc1 1809511991 ARKYTXZQVFVDJV-QHCPKHFHSA-N 495.664 5.208 30 20 JKED Cc1cccc(C)c1C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1811403414 OCRIGZSEURTXTH-IGKIAQTJSA-N 475.709 5.069 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CCC3)[C@@H]2c2cccnc2)c1 1812514058 CROCXEBRQUSUBZ-OZXSUGGESA-N 499.014 5.048 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1813057599 GVXGIMDXSRTBRI-RXFWQSSRSA-N 470.598 5.187 30 20 JKED Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c1Cl 1813869836 RTKHMROSLXXNQU-RQADYFSKSA-N 487.003 5.304 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3C)[nH]n2)C1 1814393990 UIJPRPKCNYAZBH-QHCPKHFHSA-N 455.562 5.052 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3csc4c3CCCO4)n[nH]2)c1 1817801818 OODACNUJWPNNET-ZHRRBRCNSA-N 489.601 5.043 30 20 JKED CCC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)n1cccc1 1818060135 NIILQLAPZUMCKK-VXKWHMMOSA-N 478.984 5.084 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818114364 VQVDFEAZFIYPFR-PHIUQFCRSA-N 490.629 5.342 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818164168 XXZMCOLUOJANSC-IBGZPJMESA-N 485.009 5.548 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)[nH]n1 1819308161 XDKUJAXAOSDGLQ-BWKNWUBXSA-N 469.589 5.546 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccoc2Cl)[nH]n1)c1ccccc1 1819520466 JDDIWDBAQHBQCL-NQIIRXRSSA-N 464.953 5.159 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)[nH]n2)c1Cl 1820220458 YLPGFVYTJXYRJR-IBGZPJMESA-N 468.344 5.208 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@](C)(OC)c2cccc3ccccc23)n[nH]1 1820705238 XEDZCPKRYOGYSU-DHIYETBGSA-N 474.605 5.329 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1820971999 DINCWEZYHRYKAI-XXBNENTESA-N 489.576 5.309 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc4cccc(Cl)c4c3)n[nH]2)cc1 1821564443 IXOKDQVWPCWMDS-XMMPIXPASA-N 498.974 5.032 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(F)c(Br)c2)[nH]n1 1821923409 IRFWSBSOAATHDX-MGPUTAFESA-N 491.405 5.148 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)[nH]n1 1821927274 AWCRVPKHXHVZMO-CFFMAPQLSA-N 477.428 5.151 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1)C(F)(F)F 1821992154 TTZLHDBHDJVULF-KRWDZBQOSA-N 492.885 5.748 30 20 JKED Cc1cc(C)cc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c1 1822602832 YGSKFSSFIVPTLJ-RUZDIDTESA-N 469.589 5.031 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4c3OC(C)(C)C4)[nH]n2)c1 1823212193 LVTJMLLCNRUTFK-MHECFPHRSA-N 497.599 5.370 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@H](C)c3ccccc3)[nH]n2)c1 1823217460 TUGZPBKWRKLHLH-DFIYOIEZSA-N 469.589 5.536 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cccc1C(F)(F)F 1823289679 JNNRJASVIJTCLK-JOCHJYFZSA-N 495.505 5.423 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1823813849 CGCJDSKUYKPMIZ-MUUNZHRXSA-N 471.645 5.087 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1824050497 AQHBXMRPTHPMFY-JCYYIGJDSA-N 487.619 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1824143995 VEKOEPYCYQYMGA-VWLOTQADSA-N 451.586 5.309 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1824960915 PPXJKQRNNCTWPC-IBGZPJMESA-N 455.451 5.146 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1826324289 RWEPMNWEADKRTO-XMMPIXPASA-N 499.533 5.645 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)c1 1826504180 ZOQCKRZBOJGYRW-IBVKSMDESA-N 478.036 5.443 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)c1 1826569269 BECOZUACWITSDY-RUZDIDTESA-N 481.999 5.217 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1826693646 LYKCYTTWHQAUML-BDYUSTAISA-N 479.571 5.422 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1)c1ccc(O)cc1 1828189996 AVZIGVNWOXXDNZ-SQHAQQRYSA-N 498.623 5.569 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)ccc2s1 1828254100 WLCFXDXPHOJRQA-DEOSSOPVSA-N 490.604 5.163 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1828890102 ZYVYSVCAXSZBKI-XZOQPEGZSA-N 495.491 5.119 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1829035308 PCOYBAHKIMNVTO-FQLXRVMXSA-N 481.640 5.183 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cn2)CC1)c1ccccc1 1829223070 LZQJNMKPQCMHAR-AZGAKELHSA-N 478.036 5.166 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3)CC2)cc(C(F)(F)F)c1 1829876350 QYCQASIUBNPTBP-HSZRJFAPSA-N 469.507 5.124 30 20 JKED Cc1snc2sc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)cc12 1829952811 ZEQXCBVIYSHIKP-NRFANRHFSA-N 478.643 5.085 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1830416121 GHJRUCLNKXLISE-ZBLYBZFDSA-N 493.623 5.527 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1830418327 UGJCANPPYVYEDO-UGKGYDQZSA-N 469.651 5.244 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830507318 PJZFNHBDMAXAOI-HSZRJFAPSA-N 467.972 5.206 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830749534 CCOTVHFMDNXMQJ-MHZLTWQESA-N 455.602 5.291 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccoc3)CC2)cc(C(F)(F)F)c1 1830754863 BULDURALQKTMJI-HSZRJFAPSA-N 487.522 5.036 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1)c1ccccn1 1830755943 PXYBJIYTJSXVEL-UUOWRZLLSA-N 498.549 5.009 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830977114 AKWHXGPPZOBVNN-NRFANRHFSA-N 456.677 5.362 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 1831211782 LYSVLCAOEJLONX-TWJOJJKGSA-N 486.100 5.331 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)CC1 1831231441 MWMUWRWAKXJYOG-RDGATRHJSA-N 454.655 5.456 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1831447035 VPRHMYFFWBPBBX-GOSISDBHSA-N 459.364 5.438 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccccc2F)CC1)c1ccccc1 1831557032 MVOPBVFOMKDIHR-VPUSJEBWSA-N 490.619 5.021 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)CC1 1832171221 CDNWYZWSSNHMKE-KONDSOJQSA-N 491.495 5.337 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832628627 YXTPZJQUCZAFFU-XXBNENTESA-N 479.646 5.321 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3c(F)ccc(F)c3F)CC2)c1 1832629305 NDNOQSBPEIPDAA-IQGLISFBSA-N 497.561 5.207 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)CC1 1832721126 LRQTXYOXRDIYDE-HXUWFJFHSA-N 499.902 5.255 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC34CN(C(=O)CCCC#C[Si](C)(C)C)C4)cc2n1 1843993696 HDRNSQNJIOMCCJ-UHFFFAOYSA-N 482.100 5.065 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccc(Cl)cc3)n2)n(C2CCCC2)c1C 10576193 RWKLXLSPKDDGAG-UHFFFAOYSA-N 482.993 5.664 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccccc1Cl 10825451 NXNBQSSAOOZUHF-UHFFFAOYSA-O 464.825 6.548 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(F)c(Cl)cc2Cl)n(C2CCCC2)c1C 10841127 NUGQWDKBJQDRMG-UHFFFAOYSA-N 452.313 5.333 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)c3cnccn3)c2C#N)C(C)(C)C1 11477156 PRIWRYUNYLSSFK-SNAWJCMRSA-N 490.610 5.353 30 20 JKED Cc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 14238580 SWAOZQJLKOCFNR-UHFFFAOYSA-N 455.923 5.132 30 20 JKED CC(C)c1ccccc1-n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1cccnc1 15183924 SRUCKUZHHGNSDQ-UHFFFAOYSA-N 460.588 5.117 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C)cccc2C)c1 15992728 KYSXNQFSYXHLAB-UHFFFAOYSA-N 485.005 5.599 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3cccc(Br)c3)o2)c1C#N 18528092 GXHYTXSMAXRDQM-UHFFFAOYSA-N 452.337 5.157 30 20 JKED C=CCn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1-c1ccccc1OC 21371670 OOQQCMLEJIIQLC-UHFFFAOYSA-N 462.619 5.598 30 20 JKED C[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)C(=O)N(CCC#N)c1ccccc1 21683706 MWHMGGZXEYZEGR-QGZVFWFLSA-N 474.611 5.089 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1-c1ccc(Cl)cc1 22137359 FTFGPSMIBRTLAE-FYSMJZIKSA-N 484.025 5.131 30 20 JKED O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)c1ccc(C2CCCCC2)cc1 23124888 MPFQHQURAIYJQP-UHFFFAOYSA-N 453.608 5.237 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@H]2C)c1 30547721 NBTQTRVDJJIEFA-QGZVFWFLSA-N 487.046 5.542 30 20 JKED CCCCCCCC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 105758473 NJQMOKBBBXSHFD-UHFFFAOYSA-N 485.433 5.948 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 106116028 YUSNBAUZSPUDSK-UHFFFAOYSA-N 498.564 5.131 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 255930649 LQEBJFDFUXDEGY-ZDUSSCGKSA-N 497.835 6.123 30 20 JKED Cc1nc(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)sc1SCC#N 302938970 KODXWSWEPPTURM-KRWDZBQOSA-N 474.405 5.589 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 409469661 MGFHELJTQDSLQS-UHFFFAOYSA-N 485.800 5.400 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)cc2)c1 409768166 NKOQMEBHRIOEQR-UHFFFAOYSA-N 479.874 5.561 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3cccc4ccccc34)CC2)cc1 476488291 LPUIBONAGSINMZ-UHFFFAOYSA-N 475.592 6.896 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2F)c1 481576471 UURJRSKCXKAEII-HXUWFJFHSA-N 462.500 5.063 30 20 JKED CC1(C)CC[C@H](NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc21 486784297 AYWJNZKNQNVJIS-VWLOTQADSA-N 453.542 5.005 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c12 489122543 OJSKVXCVTVOTLC-UHFFFAOYSA-N 469.511 5.449 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1ccncc1 501574522 PCFRSDGCIZSYTQ-UHFFFAOYSA-N 482.613 5.294 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)c2)c1 512138380 LERJCCRRRVYPJF-UHFFFAOYSA-N 451.313 5.273 30 20 JKED Cn1c([C@H](C#N)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)nc2ccccc21 513655656 SSVYISICVGTSOR-LJQANCHMSA-N 473.330 5.078 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nc2ccccc2s1 514218376 LTOXRSHLRFFMOY-GOSISDBHSA-N 466.349 6.345 30 20 JKED Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(Br)c1 515159516 JTRHBMQEOWTQOJ-CYBMUJFWSA-N 489.420 5.179 30 20 JKED CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1Cl 515657229 MPCVTHCYORCOCK-UHFFFAOYSA-N 451.910 5.022 30 20 JKED Cc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cccc1-c1nnc2n1CCCCC2 515701651 WWTGUQHUJOBZTB-UHFFFAOYSA-N 467.529 5.276 30 20 JKED CC(C)COc1cccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 516726451 HGAIMIDTRCFZMU-DEOSSOPVSA-N 475.976 5.285 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 517520385 BRCJQHCJTYBXDA-MRXNPFEDSA-N 486.018 5.787 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(OCC(F)(F)F)cc1 517871505 KSBIQPSKBIGRGF-MRXNPFEDSA-N 482.462 5.634 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)oc12 518559165 QNYNDNDTTYINKW-SFHVURJKSA-N 483.524 5.620 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(COCc3ccccc3)c2)cc1C 519947188 YAZUTAKWBFJPTE-UHFFFAOYSA-N 478.596 5.727 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 520183506 BQNUGQGATFNTBT-SFHVURJKSA-N 467.491 6.575 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 520813498 JIPVGXLNEXTCHF-HNNXBMFYSA-N 478.574 5.297 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 520815064 VJLYYBDEKJLQDV-IBGZPJMESA-N 459.571 5.028 30 20 JKED N#Cc1cccc(COc2cccc(NCc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)c2)c1 521194097 VYVMYLQRIWHRHN-UHFFFAOYSA-N 484.869 5.397 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 523854625 MIUDNFVORWBSQD-UHFFFAOYSA-N 473.573 5.481 30 20 JKED Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)C2)cc1 524357126 DKALNGNBJAPLHO-QFIPXVFZSA-N 482.584 5.120 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCCc3nccn3Cc3ccccc3)cc2Cl)c1 524441237 ZABCPMXCHJCUEV-UHFFFAOYSA-N 485.975 5.400 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccc3c(c2)OCO3)n1 524614192 XNRDCFRMZFETIM-OAHLLOKOSA-N 483.640 5.805 30 20 JKED N#Cc1ccc(N2CC[C@@H](Sc3nnc(-c4ccccc4Cl)n3C3CCCC3)C2=O)cc1 589696808 IRWZPZLWPFPVKK-OAQYLSRUSA-N 463.994 5.483 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1sc2c(c1C#N)CCC2 603946448 HDRVGXAEXVEFQU-UHFFFAOYSA-N 459.955 5.776 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)c2)c1 603995145 YBSULJUEBQQWRC-UHFFFAOYSA-N 483.478 5.015 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2Cl)cc1 604288655 LNJPYBAMJURHAT-OKILXGFUSA-N 491.819 6.599 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 604461643 SLJOQMUZDPCUSQ-LJQANCHMSA-N 462.500 5.585 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(NC3CCCCC3)cc2)c1 604539993 JCKLGYHUAVVLER-UHFFFAOYSA-N 484.625 6.286 30 20 JKED C=CCN(C(=O)c1csc(-c2ccccc2Cl)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 608931189 JIZOETBOYBKWKN-UHFFFAOYSA-N 482.974 6.328 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2sc(-c3ccccc3)nc2C)cc1C 608972083 SIJBYJAJUPWUFQ-UHFFFAOYSA-N 455.587 5.443 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nnc(SCc4ccc(Cl)cc4)s3)o2)cc1 609054545 WGLVPPLRCFEBRW-UHFFFAOYSA-N 482.974 5.780 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)o2)cc1 609055502 IXTYMWVVGAOSLU-UHFFFAOYSA-N 483.490 5.097 30 20 JKED CC(C)C(=O)Nc1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cs1 609062207 FXQQTMVWXCPUOD-UHFFFAOYSA-N 468.966 5.023 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(CSc2nccn2C)c1 609072193 CFCBCQLWZNCSKC-UHFFFAOYSA-N 468.582 5.724 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2Cl)c1 609079984 PACCYQDAEVVDQT-DEOSSOPVSA-N 465.912 5.535 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609110858 WXCCIBZHNBFIAQ-UHFFFAOYSA-N 471.488 5.713 30 20 JKED N#C[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(OCc2ccccc2)cc1 609174769 WCXSRHYBNUXKSW-VWLOTQADSA-N 482.609 5.473 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1ccccc1C(F)(F)F 609376519 CIVQRXJXDVJFGR-AWEZNQCLSA-N 472.492 5.064 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1cccc(C(F)(F)F)c1 609377347 VMXCWGQLVZETQY-CQSZACIVSA-N 472.492 5.064 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 609378391 FWBKAALNHQVJSW-UHFFFAOYSA-N 484.425 6.168 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 609382769 SOAFOKQTILBEOJ-AWEZNQCLSA-N 492.047 5.706 30 20 JKED Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2C)c1 609382985 YWWGXZXELCKGIF-GOSISDBHSA-N 479.627 5.608 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 609403177 ZZPMRHAPARLESK-CYBMUJFWSA-N 451.379 5.348 30 20 JKED N#Cc1ccccc1COc1cccc(CNCc2ccc(Cn3cnc4ccccc43)cc2)c1 609433174 BDNPHTGJTGWWPN-UHFFFAOYSA-N 458.565 5.825 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1-c1nccs1 613346633 MQEYFEJPBRJKBM-INIZCTEOSA-N 473.410 6.471 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1nc2ccccc2n1C(F)F 613404372 PAHKPRWNWZURQM-SFHVURJKSA-N 473.508 5.861 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc3ccccc3n2)c(OC)c1 618608719 KHTKDLHDDSYHOC-HSZRJFAPSA-N 474.520 5.595 30 20 JKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 620002322 OJLGUUHWYUMQJD-WCFLWFBJSA-N 466.344 5.461 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)N1c2ccccc2C[C@H]1C)C(C)C 639394123 CDVKFIWMDGWIPB-KOSHJBKYSA-N 480.609 5.277 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726114585 XZQZVVFVMPUHTI-YWZLYKJASA-N 485.610 5.134 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(F)c2)cc1F 726410270 GVNLEGGGLLGZNF-JOCHJYFZSA-N 481.524 5.134 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CC2)cc1F 726412339 REVRQRISAUMHCY-GOSISDBHSA-N 495.548 5.272 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726573844 SOGHSSOWMFOOSG-UHFFFAOYSA-O 458.563 5.484 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 726754512 LQYRPCFKTGQTMW-UHFFFAOYSA-N 466.488 5.507 30 20 JKED Cc1c(C(=O)/C=C/c2csc(COc3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727267534 WVXFLIBZIKLUBH-VMPITWQZSA-N 473.894 5.705 30 20 JKED CCCCCCC[C@@H](C)CNC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 727475412 JSJZUXGZCJCDGA-MOPGFXCFSA-N 457.615 5.007 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)c1 727591365 XEVHDNQXZNLWCZ-XOFWUJAUSA-N 482.650 5.081 30 20 JKED CCOCCCn1c(NN=C(C)c2sc(-c3ccc(Cl)cc3)nc2C)nc2ccccc2c1=O 727648334 CLMOZEVOSPUTCV-UHFFFAOYSA-N 496.036 5.745 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccsc1)c1cccs1 728428734 BAHFPRPGXJYYBY-DGMJRFSVSA-N 480.640 5.271 30 20 JKED COc1cc(/C=C2\CCOc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 728442131 WYTRFQYTPPYSGT-NBVRZTHBSA-N 497.469 5.780 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1C 728737786 KKPJOXUONYDSAI-HHHXNRCGSA-N 497.643 5.491 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(CCCCC#N)C2=O)cc1 728777589 LJTDPQNYXUKZPT-QHCPKHFHSA-N 476.602 5.160 30 20 JKED Cc1nc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)sc1-c1nnc(S)n1C1CC1 729325675 FKZCKLACQZQNMH-UHFFFAOYSA-N 488.598 5.037 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CC)c2nc(C)cs2)c1 729449104 KSGYLRJYJWOFCU-NRFANRHFSA-N 490.050 5.367 30 20 JKED N#Cc1cccc(OC2CCN(Cn3nc(-c4cccs4)n(Cc4ccccc4)c3=S)CC2)c1 729472189 IWZYZTSFVRRSPE-UHFFFAOYSA-N 487.654 5.563 30 20 JKED O=C1/C(=C\c2csc(-c3ccccn3)n2)CCc2nc(-c3ccccc3Br)sc21 730436546 RMHSODTXNOZDHB-QBFSEMIESA-N 480.412 6.304 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CCc2nc3cc(Cl)ccc3s2)c2ccccc21 730607107 CIOLDQZNWCLOAX-UHFFFAOYSA-N 451.935 5.177 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cocn1 730709563 VBWWKNBFMUCVAA-FQEVSTJZSA-N 468.966 5.105 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1 730719235 YHFJGXCLEIVNFE-OAQYLSRUSA-N 482.993 5.359 30 20 JKED CC(=O)N1CCc2cc(C(=O)[C@H](C)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccc21 731039906 CNWZAEPGBJUYDO-AWEZNQCLSA-N 461.509 5.303 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 731078673 PHSRPKRFJGEVNE-GOSISDBHSA-N 471.538 5.540 30 20 JKED N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 731287739 JKWIHWAYYGWLHS-OAQYLSRUSA-N 465.347 5.499 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 743524397 JRLFGGILNGWPTE-DVECYGJZSA-N 490.604 5.867 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N([C@H](C)c2ccccn2)C1=O 743525697 SAEDDPFOOCDYPS-HXOBKFHXSA-N 492.576 5.259 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCSc2ccccc2)C1=O 745391881 DLURHGJKWFTWPM-QHCPKHFHSA-N 491.638 5.448 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3cc(-c4cccs4)on3)n2)cc1 747114713 LTKXIDPFVNKXHM-KRWDZBQOSA-N 462.581 5.508 30 20 JKED COc1ccc(/C=C2\COc3c(Br)cc(Cl)cc3C2=O)cc1OCCCC#N 747361466 OMYNJSMHRSPOJD-RIYZIHGNSA-N 462.727 5.452 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c(C)c1 747599669 LEQKGQRWWWDKSZ-HXUWFJFHSA-N 482.606 5.102 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1F 747602657 LSIDIVGYQLOXBP-OAQYLSRUSA-N 498.580 5.071 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837386610 SBZJBPCQKOURAQ-FDDCHVKYSA-N 474.586 5.120 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 837532045 KATHEZLBYNECHE-MGPUTAFESA-N 499.423 6.110 30 20 JKED N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3cc(Br)cc(Br)c3)no2)cc1 904916650 VRHZZGUAEFKWCT-QGZVFWFLSA-N 474.156 5.475 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)c1 913117625 CFMSZVPMWRXXNF-NRFANRHFSA-N 496.589 5.006 30 20 JKED CCN(C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 914509217 GQZGDHZELIBCAR-LMICACPXSA-N 459.546 5.374 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@@H](c2ccccc2)C2CC2)C1=O 914553517 CONXHFSRDDHGSE-ICSRJNTNSA-N 462.402 5.212 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC(C)C)c1 914556148 VJKDHZMFIRACRQ-XMMPIXPASA-N 494.661 5.658 30 20 JKED Cc1nc(COc2ccc(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)cc2)no1 914888153 CWGIRCNSZXEEPK-UHFFFAOYSA-N 453.498 5.014 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)n2)cc1 915085890 PQGGDSRLAUUNNG-DEOSSOPVSA-N 452.514 5.362 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc(-c2ccc(Cl)cc2)cs1 915101492 HTWIMYWSZTWGRW-KRWDZBQOSA-N 451.910 6.067 30 20 JKED CCOc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(C)C)cc2)cc1OC 915116680 MRBCPMCILJAKNX-DEOSSOPVSA-N 495.645 5.018 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 915180709 RGGVPYGMKFFLSX-NSOVKSMOSA-N 490.563 5.873 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 915352900 OVAXPRQZAWRZHV-LJQANCHMSA-N 453.329 5.409 30 20 JKED COc1cc([C@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(C)cc3)=C2C(C)=O)cc(OC)c1OC 916156648 WNHNVMPOJNNKKE-AREMUKBSSA-N 486.568 5.288 30 20 JKED N#CCOc1cccc(NC(=O)c2cccnc2SCc2cccc(Br)c2)c1 916410710 IMIBMZOUHSUFTG-UHFFFAOYSA-N 454.349 5.291 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc1ccc(Br)cc1 916900667 RFLMYBWXNUSRBV-IUODEOHRSA-N 481.799 5.248 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916901239 BXBHLGQBZQONDG-HNNXBMFYSA-N 482.945 5.118 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Oc1ccccc1 916907079 HJKUYHFTNBWNTR-NRFANRHFSA-N 485.927 6.067 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 916927977 GBQSIUUBEVKMNL-HNNXBMFYSA-N 480.373 6.001 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 917042235 DVFBBAVTNTXNDR-GCJKJVERSA-N 496.311 6.190 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2sc(-c3ccccc3)cc2OCC)n1 917076040 SWZFTCHOVDHTQZ-UHFFFAOYSA-N 483.644 5.180 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 917119445 GFEMIRFGSGJNMU-FOIQADDNSA-N 452.341 5.406 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H]1CCN2CCC[C@H]2C1 917665874 LKVHTECVAYBHFF-SXWKCWPCSA-N 497.064 5.236 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccsc3)C2=O)c(OC)c1 917683518 YKVIZYFORDOYPY-JOCHJYFZSA-N 495.626 5.234 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)(C)C)CC2)cc1F 917687253 PZZMYAPKJPZPGU-QHCPKHFHSA-N 496.652 5.357 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1csc(COc2ccc(Cl)cc2)n1)CCCCC3 918709480 MEWBRYIQBSIYEG-UHFFFAOYSA-N 485.034 5.606 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H]2CCc3cc(C)ccc32)C1=O 920169917 JICIBFXGMXJMDK-OALUTQOASA-N 475.586 5.065 30 20 JKED COc1cc(/C=C2/COc3c(OC)cc(C)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 920389184 JDAQPMOEOQWTFC-PDGQHHTCSA-N 493.943 5.342 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806894 RZXDJANGONJDER-CQSZACIVSA-N 454.889 5.726 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc2ccccc2c1 920871456 SXDKTJKCKJJYLS-KOSHJBKYSA-N 491.613 5.091 30 20 JKED N#CCCn1cc(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 920905954 ZPJBCLAYXAJAEK-UHFFFAOYSA-N 493.932 5.506 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)n1 920912759 QZJALEFHPGGTJE-OAHLLOKOSA-N 461.326 5.584 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5ncc(C(F)(F)F)cc45)CCC3)cc2)C1 1785807963 YGDHHXYIAXQOBZ-UHFFFAOYSA-N 468.479 5.296 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccc(F)cc4)cc3)CCC2)c(C#N)c1 1786027017 AYYMQTSLUOURQC-SVBPBHIXSA-N 497.570 5.186 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(OC)c4)CCC3)cc2)cc1 1786330729 HFQFHQAZDCNFFN-SXOMAYOGSA-N 495.579 5.127 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)CCC2)cc1 1786395278 VZUPQLBLTYQZNA-HXUWFJFHSA-N 490.551 5.055 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCCC(F)(F)F)CCC2)cc1 1786545275 XBIDNHGCWBLFJC-LJQANCHMSA-N 497.558 5.323 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1786678892 ICBYSABKEZDESR-UHFFFAOYSA-N 453.995 5.488 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccnc4OCC4CC4)cc3)CCC2)cc1 1787139437 SEUQKXOOMXNAHF-UHFFFAOYSA-N 494.595 5.123 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3sc4ccccc4c3Cl)C[C@@H]21 1788735448 NGNNIDVFXZXTHU-WDSOQIARSA-N 475.054 5.140 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)sc1C 1789981310 CPGSKHNJIRSIJL-UHFFFAOYSA-N 458.587 5.012 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c[nH]nc4cc3Br)cc2)CCC1 1790044056 RIUILOCYIHOHRV-HNNXBMFYSA-N 481.394 5.285 30 20 JKED COc1ccccc1CC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083040 XMXQZQCPZUFFDF-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnccn4)c3)cc2)CCC1 1790083170 UEFNMXHINFXJJD-UHFFFAOYSA-N 452.558 5.085 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)cc5c4cnn5C)cc3)CCC2)C1 1790091894 BSPRKRGTUUYZAX-UHFFFAOYSA-N 493.405 5.050 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)CCC3)cc2)c(C#N)c1 1790475001 UBJRVSREZYJYGO-KAYWLYCHSA-N 479.580 5.047 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5o4)cc3)CCC2)cc1 1790848899 VKCQMMAPTXKGHH-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2)CCC1 1791523877 YCKLBTYUDKGXKE-UHFFFAOYSA-N 475.517 5.032 30 20 JKED C/C(=C\c1cccnc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1791855327 DSTOAJNOOXMECB-LTGZKZEYSA-N 494.595 5.592 30 20 JKED CC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1O 1792127147 QWBKNDFLTABGTR-SFHVURJKSA-N 496.567 5.039 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(F)c3)CCC2)cc1 1792239710 AUBYDWSEXKYAMQ-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1792266402 UUSCQPNJKGUYRE-NKKJXINNSA-N 493.648 5.102 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc(C(F)(F)F)c1 1797875299 PYAWOKRSJLTJPD-BODWGHHWSA-N 487.566 5.435 30 20 JKED Cc1c(Cl)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800739945 JQTXDXKUMRCOFK-REPLKXPHSA-N 475.898 5.105 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)c1 1801203951 DIUSUTDKSMPJDD-IITNATTFSA-N 477.564 5.779 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)CC2)C1 1804859798 NXILSQGRWRIKBT-QFIPXVFZSA-N 491.717 5.294 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccnc(C(C)(C)C)c2)[C@H]1c1cccnc1 1804860968 UVWKYFIEMLSJKR-ISKFKSNPSA-N 462.638 5.086 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC#N)cc3)CC2)C1)c1ccccc1 1809162852 OMHJOINRJYCERS-WNCULLNHSA-N 471.645 5.427 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1809306577 QLNXVFRSXOTJMA-AZGAKELHSA-N 470.617 5.250 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810107959 PBIHOKKVMVPCIS-CZTZKLFOSA-N 471.692 5.322 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@H]1c1cccnc1 1810175035 WBWIMFZJQHGNOA-FBLLAGFSSA-N 463.647 5.110 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810272770 RANZPWPWIWVLGJ-RLWLMLJZSA-N 497.662 5.039 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1810273650 GGYSLZPVQNBFKL-QPPBQGQZSA-N 493.705 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1810504484 ZIPFPPFVTNMNEJ-HWBMXIPRSA-N 480.052 5.463 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)C(C)C)[C@@H]2c2cccnc2)c1 1811924536 NZXGUQULQWRJHP-RZDMPUFOSA-N 480.612 5.021 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@@H]1c1cccnc1 1812591009 XIKBYELODZPJJR-GGPAXRDESA-N 485.603 5.343 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2)[C@H]1c1cccnc1 1813931550 GPCULCPLHLRJIB-AZGAKELHSA-N 475.633 5.182 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@@H](CNC(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)cc1 1814054054 QJDZUKQXWVVVDU-IGKIAQTJSA-N 478.596 5.071 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)[nH]n2)C1 1814393255 BBVYGKQGOKJBTG-NRFANRHFSA-N 498.509 5.091 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)[nH]n1 1814442591 PBEGGIHQQPKKDU-KRWDZBQOSA-N 466.504 5.628 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1814443284 RDJRVXGOLTYFHX-IBGZPJMESA-N 451.596 5.318 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1815248841 KVXFAQDZPZMMAT-HYBUGGRVSA-N 491.617 5.411 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(C)ccc4[nH]3)[nH]n2)c(O)n1 1816241365 GUBVQZICWQCQOE-XMMPIXPASA-N 498.587 5.038 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114144 KWRLRRZVJIGFPX-MCZXBBPFSA-N 480.615 5.067 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4occc4n3-c3ccccc3)n[nH]2)C1 1820088664 ZKOPLTFDNXNZCM-NRFANRHFSA-N 469.545 5.219 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)s3)[nH]n2)c1 1820207597 PZMJYYOHNHBACO-FQEVSTJZSA-N 491.617 5.269 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)n[nH]2)C1 1820822731 AGMVAVKZGOJQOB-AUSIDOKSSA-N 492.023 5.623 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)cc1 1821180676 JMGOLDAXEFJYHC-QHCPKHFHSA-N 475.980 5.068 30 20 JKED N#CCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4c(Cl)cccc4Cl)sc3C2)cc1 1821907662 FGUSPAOHXSWIBZ-HNNXBMFYSA-N 485.396 5.056 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)[nH]n1 1821919242 SULPWASXPUAFCS-IVZQSRNASA-N 481.000 5.280 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccccc3Br)CC2)[nH]n1 1821922791 AKLJJKIFNFIGJJ-UZLBHIALSA-N 485.426 5.108 30 20 JKED COc1cccc(/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1822131446 HCJIJUYBTWNVRH-LJNLZICSSA-N 483.572 5.065 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)[nH]n1)c1ccc(O)cc1 1822468611 CCPXWDOOLXXQDC-TXKDVJNZSA-N 496.611 5.108 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3F)n[nH]2)c1Cl 1822965711 GLCQWLKLZKCSOY-NRFANRHFSA-N 479.943 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)[nH]n2)c1 1823215302 PWGRNRPVFCPFPW-HXOBKFHXSA-N 466.545 5.138 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1824393243 ZUCDPWDNHNBNTP-RXFWQSSRSA-N 493.648 5.040 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824500577 KYAZRAYRUVPDKA-AREMUKBSSA-N 488.628 5.802 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824786933 SEMJIVNNCHKHPI-RPWUZVMVSA-N 489.701 5.070 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1825951496 RZNFNFIVSSHGLR-VWLOTQADSA-N 475.633 5.499 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826476159 CBMMTDRMACTQEQ-UPVQGACJSA-N 476.583 5.636 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)CC2)c1 1826478371 GSSIKAWERDKLIC-DEOSSOPVSA-N 483.534 5.053 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c[nH]1 1827680289 QPDYSJLHCKEJCE-LCCNJJIFSA-N 481.662 5.046 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1827875099 AYIHTFZPDFRYJF-HHHXNRCGSA-N 478.596 5.167 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)ccc2n1 1828229810 QLGVZFLFXZGGJX-LJAQVGFWSA-N 494.639 5.281 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828828077 CWEAVELTUBWEBO-CELHTLPISA-N 489.660 5.578 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1828906273 DITJVKMZISKPSX-DQEYMECFSA-N 456.747 5.404 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)c2[nH]1 1828906507 QHFOJBLRAKGDQD-AREMUKBSSA-N 491.752 5.761 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2CC)CC1)c1ccccc1 1829029535 BXCDDQBBFYWZFF-LEAFIULHSA-N 471.645 5.075 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2Cl)CC1)c1ccccc1 1829032066 IUUGQMSESALBSP-JYFHCDHNSA-N 478.036 5.166 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)n2)CC1 1829243044 HFRVXMNLQNRVBY-FQEVSTJZSA-N 465.560 5.326 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)c1Cl 1829690036 ZOWAOGZNVMFHKC-DEOSSOPVSA-N 492.982 5.379 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c(C)n1 1829693280 YHJAGOWERBLLRQ-VWLOTQADSA-N 493.051 5.090 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1830420402 ARMICRKITMZNGX-LXFBAYGMSA-N 491.676 5.501 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3F)CC2)cc1 1830632111 YMGRBEWVRQPKBR-DEOSSOPVSA-N 499.533 5.040 30 20 JKED Cc1cccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723168 GCPWKRYAENDPCG-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755160 AIMOVQQANUXQLM-ZEQRLZLVSA-N 487.566 5.579 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cc(C)[nH]c34)CC2)c1 1830769196 JPCNVWBTHOYUBF-SANMLTNESA-N 468.601 5.204 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1831371301 XAYYPTOOTPPUDN-MBSDFSHPSA-N 470.013 5.441 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3occc3Br)CC2)c1 1832630397 HQPRPKZQHQGVQG-VGOFRKELSA-N 498.421 5.216 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832712884 GEPBYDPCQXAHAY-JOCHJYFZSA-N 485.427 5.349 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1835684212 PEJLXBMBRWBAMA-GDLZYMKVSA-N 485.672 5.307 30 20 JKED COc1c(C(=O)N2CC3(CCCN3C(=O)c3ccc(C#N)cc3Cl)C2)cc2ccccc2c1Cl 1845488403 HZKFGBINPNXSSD-UHFFFAOYSA-N 494.378 5.158 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)cc2Cl)c1 10836560 HLPIYBOWTWURTK-UHFFFAOYSA-O 452.333 5.918 30 20 JKED CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccc(Cl)cc1Cl 11149726 DHCHZXNNDZFSTG-AWEZNQCLSA-N 474.417 5.899 30 20 JKED Cc1oc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)c(C#N)c1C 11423861 XAANFJGMFZKOGI-SFQUDFHCSA-N 467.481 5.192 30 20 JKED CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)nnc1C1CC1 14065380 DIBYVOHJTCOBMO-HNNXBMFYSA-N 457.669 5.380 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H]2c2ccc(OC)cc2OC)c1=S 16874406 YJFBFAKXTDTMQO-OAQYLSRUSA-N 454.571 5.218 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccccc1 18259291 WHXBLLPEJHEXJZ-AWEZNQCLSA-N 461.572 5.542 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(Br)c3)no2)nnc1-c1ccccc1 18952386 HSTOSOIFTANTQE-UHFFFAOYSA-N 454.353 5.236 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc2scc(-c3ccccc3)c2c1=O 20888611 BFWCGVLAIBAEBF-UHFFFAOYSA-N 492.582 5.258 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 23604169 ILJZAFBUOXNOAY-JOCHJYFZSA-N 496.640 5.433 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2sc(C)c(C)c2c1=O 28381059 XIKQMRAINCABHT-UHFFFAOYSA-N 454.404 5.298 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)c2)c1 32290528 NFWRMGKYOWBHOC-UHFFFAOYSA-N 480.421 5.733 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 32787219 NVYIGXANHHRIGP-OAHLLOKOSA-N 461.418 5.331 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1NC(=O)c1ccccc1F 108374969 XXINTOJPZYRRPS-UHFFFAOYSA-N 493.538 6.284 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](Oc1ccccc1Br)C(C)C 117244312 FDEJPCYOUDAEJB-QFIPXVFZSA-N 480.362 5.859 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)sc2nc(C(F)(F)F)ccc12 195687815 MTQHNUGNVKRXDJ-NSHDSACASA-N 451.882 6.377 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2F)ccc1Cl 303128726 OSSUJXYOACTLGE-UHFFFAOYSA-N 476.932 5.276 30 20 JKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303164384 HQFHGPYGRBWXLH-UHFFFAOYSA-N 468.340 5.758 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 409641373 XSDXPEHPKMYARY-KRWDZBQOSA-N 480.447 5.260 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 481681294 BLFHZBUHFONRPK-UHFFFAOYSA-N 486.591 5.652 30 20 JKED O=C(C[S@@](=O)Cc1ccc(OC(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 495986535 GKOBPOQHNWECDE-HKBQPEDESA-N 475.357 5.213 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)cc1 498376390 JSVAPFAMZDQNLV-DEOSSOPVSA-N 466.990 5.131 30 20 JKED N#C[C@H](C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nc2ccccc2s1 501281237 BYPQGCDROKQVDP-OAHLLOKOSA-N 453.449 5.263 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)c2C#N)C1 502842753 RDDHSBUIMJDQAO-INIZCTEOSA-N 493.032 5.640 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 505173196 MCQYOPFZOGFDJN-LJQANCHMSA-N 459.546 5.622 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3c(cc2SC)OCCO3)nnc1-c1ccc(Cl)cc1 509304081 JHIXAFZISCXHQU-UHFFFAOYSA-N 489.022 5.008 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 509603134 KIPRCHKYCMRFHF-UHFFFAOYSA-N 492.373 5.541 30 20 JKED COc1cc2c(cc1OC)CN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CC2 510004843 HZIZHUAAORZWFY-QFIPXVFZSA-N 461.949 5.603 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 511445015 YBDCJGHUJGXPSO-QHCPKHFHSA-N 484.947 5.109 30 20 JKED Cc1ccc(O[C@@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c(Br)c1 514029096 NJJUOPRTZDVYSX-AWEZNQCLSA-N 456.365 5.083 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 514558956 MUOMHCCIAXLKDM-AREMUKBSSA-N 476.536 5.554 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2OCc2cccc(Br)c2)n1 516350433 WHSZDGJPKXOZGZ-QGZVFWFLSA-N 485.359 5.151 30 20 JKED CCN(CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 516416284 NQYDLHHIMFMFFY-RUZDIDTESA-N 489.019 5.092 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C 520462029 KHNSWKVJJSHSBW-UHFFFAOYSA-N 469.614 5.710 30 20 JKED C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 520553534 GLYDMVDWFNGYBY-GAJHUEQPSA-N 499.478 5.021 30 20 JKED CCOc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 521119333 YEBDKQOIJGYPGB-INIZCTEOSA-N 463.921 5.219 30 20 JKED C[C@H](Sc1ncccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCCC1 522392828 CBBZPHHYFKFEHZ-SFHVURJKSA-N 472.570 5.101 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(Br)ccc1OC(F)F 522932544 XOKVPJPJACLPKA-UHFFFAOYSA-N 452.299 5.044 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 523380353 WWSWUAGDOCNUKB-UHFFFAOYSA-N 496.489 5.628 30 20 JKED CSc1nc(O)c(C(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)cc1C#N 524676426 UTJZOIXOQBJOLK-IBGZPJMESA-N 476.360 5.540 30 20 JKED Cc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2C#N)nn1-c1cccc(C(F)(F)F)c1 569397837 JZSZKENVSYNWJQ-UHFFFAOYSA-N 488.469 5.278 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)nc2sccc2c1=O 588636152 DOVGFUIUSBHEPJ-JTHBVZDNSA-N 478.639 5.212 30 20 JKED CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1 596131966 VJARKHUCDDCTHZ-QGZVFWFLSA-N 493.610 5.337 30 20 JKED COCCOc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C 603596742 RWHBXSBENWFLOZ-QFIPXVFZSA-N 470.978 5.130 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 603710409 FDDKSAQSEHQLJU-XMMPIXPASA-N 461.949 5.243 30 20 JKED CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 603757541 ALFARHXYBMZZQR-UHFFFAOYSA-N 478.477 5.507 30 20 JKED CCCCCNC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089887 QNAGCGVVOGRHNN-UHFFFAOYSA-N 468.985 5.554 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 604441546 LUAFZFNUGHDQRX-UHFFFAOYSA-N 457.599 6.021 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)c2)cc1 608994548 MOUKBUXYXVXAFJ-VWLOTQADSA-N 463.484 5.215 30 20 JKED CC(C)(C)[C@@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 609001654 KISZWBPNVNNQIX-NRFANRHFSA-N 459.516 5.027 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCc1sc(-c2ccccc2)nc1C 609090186 UKHUFHRVGBDLPT-UHFFFAOYSA-N 496.592 5.133 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 609356368 WPRNSYZPBYNYLN-UHFFFAOYSA-N 494.517 5.951 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1cccc(Cl)c1 619740765 XWBMRYYUMUVPRT-UHFFFAOYSA-N 474.417 5.619 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)N1c2ccccc2C[C@@H]1C)C(C)C 639394125 CDVKFIWMDGWIPB-UUOWRZLLSA-N 480.609 5.277 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 726392798 IDJIRYUXEZDJCJ-DNVCBOLYSA-N 479.524 5.091 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@H](C)c1ccccn1)c1cccs1 726421590 OCLMJGMTJCQWCQ-GUPKRBROSA-N 499.061 5.948 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CC3CCC3)C2=O)cc1 726422020 UFDYHTOBWICXTR-BUOZQURKSA-N 469.632 5.141 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2ccc(C)s2)C1=O 726422343 VJGLBLQLUBEOQU-NDKFBNENSA-N 499.683 5.717 30 20 JKED Cc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NCc2ccc([S@](=N)(=O)O)cc2)cc1 726572072 PSFCQVJSPVNHAZ-UHFFFAOYSA-O 482.651 5.013 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1OC 726925357 LMVJIXWTDJDRQC-WQLSENKSSA-N 454.954 5.191 30 20 JKED N#Cc1cn(CC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)c2ccccc2c1=O 727744765 HFMKCGJXKUEDLX-KMLWFEHSSA-N 498.586 5.696 30 20 JKED C#Cc1cccc(N(C)C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)c1 728482585 ZZMZWLAILINXHY-UHFFFAOYSA-N 452.461 5.273 30 20 JKED CCCC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OC)cc1 728758142 SKKFSISXCRDSQB-CLJLJLNGSA-N 455.558 5.337 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1scnc1C 729144643 WPJPYVALKFDQIW-FQEVSTJZSA-N 499.061 5.882 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729572166 XZRAADBCXZYWCU-UHFFFAOYSA-N 492.498 5.605 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2cccnc2Cl)c1 729697692 XMAWLBLFAUHRFV-UHFFFAOYSA-N 477.369 5.127 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1 730531426 WSUHUYKOBWNHMD-JOCHJYFZSA-N 480.540 5.083 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 730689765 LCRAKIPJECIDRL-UKRRQHHQSA-N 479.048 5.490 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1 730714787 WZUVDMTTZOBUED-XMMPIXPASA-N 484.581 5.605 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1cocn1 730718797 PTFVEYBTIWJKKE-QFIPXVFZSA-N 462.575 5.014 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1 731076547 FOQRHDHZCXBJJB-AWEZNQCLSA-N 487.553 5.064 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Br)cc2Cl)cc1 743410657 FWZCJDFLGYDQCV-HXUWFJFHSA-N 482.765 5.013 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 745261230 OSAUZSIRRBJQKQ-UHFFFAOYSA-N 460.538 5.190 30 20 JKED Cc1ccc(-c2nnc([C@H](C)OC(=O)[C@H](C)Sc3cc(C)c(C#N)c4nc5ccccc5n34)o2)cc1 746085777 PROTXSSUBLORIU-ROUUACIJSA-N 497.580 5.811 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(OC(F)(F)F)cc1 746971514 CNTWFAXSEWPNMV-QGZVFWFLSA-N 485.434 5.010 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCc2nccs2)C1=O)Nc1ccccc1 747602312 ZMMWRMKYGREQNO-SFHVURJKSA-N 488.997 5.139 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)c2)n1 748901522 WFGHZLFMYLZFIF-UHFFFAOYSA-N 487.604 5.139 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 749337629 INLVAGRRMQVPAC-HXUWFJFHSA-N 490.441 5.645 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CC(F)(F)F)c1 799224050 XZYCXUZIOCIKCU-SFHVURJKSA-N 499.942 5.434 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 837371350 XELKXMNLELWGIU-KOSHJBKYSA-N 490.604 6.066 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915101659 JYNGBILGKZOIOI-IBGZPJMESA-N 485.943 5.470 30 20 JKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 915774533 BVLLDXBSEWLPDB-LOSJGSFVSA-N 457.549 5.713 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C1/S/C(=N/C2CCCC2)NC1=O 915856913 CMWMLFOIWGRAAE-MHWRWJLKSA-N 454.905 5.355 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(Cl)s2)ccc1OCC(=O)Nc1ccccc1Cl 916135702 JLXSGTXNAUHBCD-VURMDHGXSA-N 462.354 5.977 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 916204597 BCAXAZYNMZIMPX-IBGZPJMESA-N 497.514 5.231 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccco2)C1=O 916207545 YXQGLBUWYVFHBV-HSZRJFAPSA-N 477.586 5.537 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2F)ccc1OC(=O)c1ccccc1Cl 916319614 CMHAMQUHVKIMPM-UHFFFAOYSA-N 482.924 5.136 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)OC)cc2)c1 916474878 VZFSUTUHAWSSGV-UHFFFAOYSA-N 499.976 5.152 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3ccccc3)n2CCc2ccccc2)cc1 916622680 GUYNVAPIDUJJBL-DEOSSOPVSA-N 468.582 5.165 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)nc2ccccc21 916844751 AOXZCLVBFRFRTQ-CVDCTZTESA-N 460.331 5.332 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3c(CC)cccc3CC)cs2)cc1 916907134 LDBWRRLLHANOSL-JOCHJYFZSA-N 461.587 5.224 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)n2)cc1 916974808 RFKMMJXCDFRKJW-SFHVURJKSA-N 482.392 6.889 30 20 JKED N#C[C@@H](C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 916975783 FKQPLHPAFBRKLP-KRWDZBQOSA-N 477.394 5.300 30 20 JKED N#C[C@@H](C(=O)/C=C/c1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995082 ASOLAHDLIBZBLG-NPQIQWPPSA-N 456.379 6.616 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cccc(NC(=O)c3ccccc3Cl)c2)c(OC)c1 917030760 YVWJFGJRMWXGKE-UHFFFAOYSA-N 493.976 5.039 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045029 XAKPCZJADXYWOE-CRAIPNDOSA-N 489.494 5.112 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045663 ZMJNNADVHIIOJG-GOSISDBHSA-N 493.514 5.937 30 20 JKED COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 917343885 JNIMRMORHVDTFA-UHFFFAOYSA-N 491.547 5.845 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCCN(C(=O)c3ccsc3)CC2)c1=S 917487306 FBVLZKBSTBKSOW-UHFFFAOYSA-N 495.718 5.432 30 20 JKED COc1cccc(/C=C2\CC3(C/C(=C\c4cccc(OC)c4)C2=O)C(=O)Nc2ccccc23)c1 917518255 XJNFDCPFDJEZQK-JFMUQQRKSA-N 451.522 5.424 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccnc(C)n3)C2=O)c1 917681610 QAKLOHICUSUCDU-QFIPXVFZSA-N 494.020 5.216 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704405 UEQSKTJXECMMFU-ZHRRBRCNSA-N 492.601 5.350 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)c3ccccc3n2)cc1OC 917727725 FNBBZTOWVPVEGK-UHFFFAOYSA-N 467.525 5.854 30 20 JKED O=C(/C(=C/c1ccc(F)cc1)c1cccs1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918672530 STCZNAADLKTUIM-YZGPZLFDSA-N 451.407 6.017 30 20 JKED N#CCc1cccc(C(=O)OCC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)c1 919317741 AMYWMUKLPDMIIV-UHFFFAOYSA-N 485.540 5.405 30 20 JKED Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(COc3ccccc3C#N)o2)c(C)n1Cc1ccco1 919513927 JZMGGUVGPKIMPO-LJQANCHMSA-N 472.497 5.218 30 20 JKED CCCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@@H](C)c1cc2ccccc2o1 919776137 PRJPIBIMYJUVJB-OOJFRLDISA-N 482.606 5.251 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 919893254 CMGDWTKANXGEHH-UHFFFAOYSA-N 473.529 5.635 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccsc2)cc1 920170248 KVUGUCBNVOPAED-OAQYLSRUSA-N 493.610 5.224 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 920807098 XRSYTQJMFJYKRH-YXVBKTCISA-N 450.388 5.877 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CSCc3[nH]cnc3C)CCC2)cc1 1785843182 UVHILMVXEZEYBM-UHFFFAOYSA-N 454.640 5.078 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)ccc4F)cc3)CCC2)C1 1785959909 VQQKFGKWQSQIEX-UHFFFAOYSA-N 457.343 5.302 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccnc4)[nH]n3)cc2)CCC1 1789803060 YKFNDXSCBMFNID-UHFFFAOYSA-N 457.578 5.212 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCc5ccccc54)CCC3)cc2)c1 1790076434 NFBWYZBEDNBCRN-AREMUKBSSA-N 465.553 5.045 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnccn4)c3)cc2)CCC1 1790078005 NIVUWKGTCHRDTH-VWLOTQADSA-N 466.585 5.660 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC(F)(F)C4)CCC3)cc2)c1Cl 1790083084 KJEHYUHLFHASMK-HNNXBMFYSA-N 457.908 5.395 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)CCC1 1790228555 ULJFJBPXTSRYBJ-OAQYLSRUSA-N 468.553 5.265 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3cccc(C)c3)CCC2)cc1 1790564969 VLHIJZCUUQPHSR-OAQYLSRUSA-N 484.600 5.606 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)cc1 1790685389 UBRJJLYUKNALMS-ZTKZIYFRSA-N 476.621 5.083 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc(C)n1 1790707695 PKOMUWSZXCJJPM-UHFFFAOYSA-N 452.558 5.080 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5cc[nH]n5)cc4)CCC3)cc2)cc1 1790707937 WRUMNLQBLUJTPM-UHFFFAOYSA-N 475.552 5.204 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)c1 1790796681 YYRLUEQDULXYDZ-UHFFFAOYSA-N 476.536 5.583 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3cc(Cl)ccc3OC)cc2)CCC1)C(F)(F)F 1791186294 ZLKLNGLUKZCRDQ-UHFFFAOYSA-N 466.887 5.144 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OCC4CC4)c3)CCC2)cc1)C(F)(F)F 1791304839 MPXUPSVKWQOULW-UHFFFAOYSA-N 488.506 5.350 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(Br)sc4c3)CCC2)cc1 1791575027 GLUSXZQRNMRXJK-GFCCVEGCSA-N 490.448 5.125 30 20 JKED C/C(=C\c1cccnc1)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1791852209 VXQGNWQZUIYCJG-QFJHZUDSSA-N 471.582 5.120 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3nc(-c4ccccc4)ccc13)C2 1792572812 JOXSEIGODSNQGC-KOUNCHBCSA-N 470.617 5.474 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(-c4nccs4)noc3c1)C2 1792573735 RKADWZWGFFVGDH-REPLKXPHSA-N 478.618 5.196 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1794075743 YDGWUXYCHXLDPX-AANQFLQQSA-N 470.585 5.056 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3cccc(Cl)c3c1)C2 1798420878 RQPVSNNQXDWCSM-WKCHPHFGSA-N 482.100 5.191 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1800491719 NVDRUWCWNDRJLL-JWIQCUOBSA-N 492.582 5.169 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1 1802489956 CLJYEWBSVSYXJW-NZQKXSOJSA-N 450.627 5.019 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1803091894 SHXCWRVXCNJTCY-MBSDFSHPSA-N 490.406 5.616 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC)c(OCC4CC4)c3)CC2)C1 1805457521 AZPPVJWMOMLLET-UHFFFAOYSA-N 480.649 5.097 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1 1807479138 ZFPPHTHFOUVFOR-MFMCTBQISA-N 494.639 5.248 30 20 JKED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2c2cccnc2)CCC1 1808488221 VDUJCYLXJQFOSH-GBXCKJPGSA-N 488.975 5.008 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1)C(F)(F)F 1809442677 BMWYTERGNKPZOH-MGPUTAFESA-N 493.938 5.388 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810493008 SZBJVVYUHUPVIT-NGYIFUPDSA-N 468.041 5.537 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c1Cl 1811417982 MYSAFCAAIXWMIC-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3c(F)c(F)ccc3c2)[C@H]1c1cccnc1 1812241576 STJMFOUJAHBXCX-CJFMBICVSA-N 492.570 5.220 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1813228732 FPDNVMAYUIRLMO-RBISFHTESA-N 479.580 5.494 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813231764 XGPYYBKCISASSL-HXOBKFHXSA-N 476.379 5.041 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)[nH]n1 1814441438 JFICBIZDLIKWSD-HXUWFJFHSA-N 487.608 5.028 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(F)(F)F)n[nH]2)c1 1816425708 DLLAZHRARJCZCO-BTYIYWSLSA-N 496.493 5.070 30 20 JKED CCC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)n1cccc1 1818060136 NIILQLAPZUMCKK-YADHBBJMSA-N 478.984 5.084 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818773536 XTQOZSHGPZJEBT-RDTXWAMCSA-N 472.998 5.175 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4c(Cl)cccc4s3)n[nH]2)c1 1818775312 XXJMSBIRCUTCJC-GOSISDBHSA-N 478.965 5.097 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971772 PFUZXVNVIRWKPM-AOMKIAJQSA-N 496.999 5.027 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc(Br)ccc3c2)n[nH]1 1818985185 RJAGEFWYVCBFMJ-NRFANRHFSA-N 479.378 5.045 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)nc3ccc(O)cc23)n[nH]1 1819005700 SCHMPFAJUGANCH-NTKDMRAZSA-N 473.577 5.046 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384702 XQADVSSJNVXZSB-IBGZPJMESA-N 456.688 5.137 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1819481556 UMCBILDIDGVIAA-VKMIRQPFSA-N 481.556 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820088026 IJULJEYSASDZPA-XXBNENTESA-N 498.587 5.620 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093204 BAIIDEVLEVMKQW-KKSFZXQISA-N 489.601 5.070 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820096639 YZOSALGBJYIHSA-IBGZPJMESA-N 495.555 5.690 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)cc3F)[nH]n2)c1 1821325887 STMNQICZUSDCBN-XMMPIXPASA-N 489.551 5.136 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821542217 YRDURFQXCGPMIG-FQEVSTJZSA-N 451.958 5.044 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)cc1 1823683251 MQAQHEJYBGHDTK-AREMUKBSSA-N 469.585 5.171 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823685703 DJKLUOHKRMMQPN-DEOSSOPVSA-N 494.035 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)oc3cc(O)ccc23)CC1 1823752760 YVCWGUISUGOFFG-QHCPKHFHSA-N 466.622 5.673 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)cc1 1823812617 MOBQCOGBUKOBRP-NRFANRHFSA-N 477.655 5.310 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1824497218 IYVVXVBCHRTIQL-SANMLTNESA-N 481.612 5.037 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1824533773 KOKRBWIMKAPUAS-MTNREXPMSA-N 451.076 5.018 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1827354875 AADPKQZOXUOVPK-QHCPKHFHSA-N 485.550 5.577 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccn4c3)CC2)c1 1827405824 LOPJWFKGSOZRIY-DVECYGJZSA-N 474.630 5.175 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827684619 KOIFWVXGQZTGFA-ISRFRVOZSA-N 458.668 5.323 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)CC2)CC1 1828168798 XOMKOKSGUFKYTI-SFHVURJKSA-N 456.011 5.092 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828508248 SEDJPBBPCNENHA-RUZDIDTESA-N 495.461 5.639 30 20 JKED Cc1cccc2c(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)n[nH]c12 1828907162 WIHZJQFYZTUDMO-XMMPIXPASA-N 492.740 5.156 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C)c3ncccc23)CC1)c1ccccc1 1829031723 DGJVXUZGIHJYBG-LSYYVWMOSA-N 496.655 5.004 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1)c1ccccc1 1829032070 IXFRFDWIAUNCJK-GOTSBHOMSA-N 467.009 5.364 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(ccc5ncccc54)s3)CC2)CCC1 1829580324 XZDFKMIASUQSHF-HSZRJFAPSA-N 486.641 5.377 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2C)CC1 1829653221 ROKJAAQLCPYXCE-HXUWFJFHSA-N 467.835 5.220 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829973619 IPDGQGHQHQYNGX-UXHICEINSA-N 457.467 5.181 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830054221 QJHUDDBQEXEYQL-QHCPKHFHSA-N 469.507 5.124 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1 1830493487 GTJUTZODYBLTQD-MHZLTWQESA-N 482.584 5.226 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536332 GNUQBMMRGIEVOH-JXFKEZNVSA-N 454.508 5.290 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)CC1 1830753889 GGJNRFKTLDGUOT-SANMLTNESA-N 463.666 5.104 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830784274 HOTJOBZQFAMDCP-YADHBBJMSA-N 481.464 5.108 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cccc(Br)c4n3)CC2)C1 1830866735 GRBPYOLFDNQKCO-QHCPKHFHSA-N 496.449 5.197 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1831849500 YIFWGIPJEJGHNR-RUZDIDTESA-N 495.461 5.639 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1831850645 JHKJIDJAQAAAJE-QFIPXVFZSA-N 465.560 5.125 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831860560 SWJHICBQJALDGR-PXJZQJOASA-N 473.661 5.056 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c(F)c1F 1832612198 RCNKWRUNLDFNTD-DEOSSOPVSA-N 479.571 5.011 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccn(C)c34)CC2)c1 1832632514 SHTGUJIAJJNROJ-JIPXPUAJSA-N 482.628 5.352 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1ccc(Cl)cc1 1832788381 PYGQTVLDPXLGBY-DNQXCXABSA-N 470.057 5.393 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)CC1 1838423993 ARUXBVRWHCXRPT-UHFFFAOYSA-N 478.677 5.099 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)C1 1844742691 NCGANMRVGZXREN-JOCHJYFZSA-N 455.602 5.400 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)n(C2CCCC2)c1C 10429923 OYKACULIKLFNSK-UHFFFAOYSA-N 455.565 5.340 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1C#N 10711259 IYCOWKKRGCMPNG-XMMPIXPASA-N 471.582 5.706 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11114546 IUBPXTUCKAUBGA-UHFFFAOYSA-O 473.590 5.911 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc3ccccc23)cc1 11127689 FJNIHAGCMWXKEB-UHFFFAOYSA-O 459.660 6.809 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1C 11166181 PZIQOGINTOPJBP-UHFFFAOYSA-O 496.656 6.072 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc2scc(-c3cccs3)c2c1=O 11382064 PVFPUXDXENLJRK-AWEZNQCLSA-N 478.624 5.363 30 20 JKED C=CCn1c(SCCCc2nc(-c3ccncc3)no2)nc2scc(-c3ccccc3)c2c1=O 14729421 QAQGPMHNZLFCLL-UHFFFAOYSA-N 487.610 5.481 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 22729596 FGAVJKFKOBHBDZ-UHFFFAOYSA-O 496.612 6.141 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)c1 23532123 HCHABQLHPNJZNB-GOSISDBHSA-N 484.025 5.092 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(Br)cc1 24015661 WWCCZRGWTSAPRS-MRXNPFEDSA-N 499.478 6.138 30 20 JKED O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 26555584 FVSLOCGQOKQNFU-MRXNPFEDSA-N 489.416 6.016 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)n2)cc1 32291529 GVSIPRXIQDIGQV-UHFFFAOYSA-N 468.513 5.157 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 33196944 YDUCYZZCVXVKCC-GJZGRUSLSA-N 472.454 6.349 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1ccc(Br)cc1C 46879821 USFCUKPSPWLAEK-UHFFFAOYSA-N 468.376 5.856 30 20 JKED Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccccc3-c3ccccc3C#N)C2)cc1 110550678 HBJFQVYMUYXJOR-NRFANRHFSA-N 452.558 5.208 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1nc(-c2ccccc2)cs1 115381967 MRDFACXXQIBBMX-FQEVSTJZSA-N 498.593 5.073 30 20 JKED N#CC1(c2ccccc2)C/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1 205777683 WTZWNQVFQXOGDG-DIEJBQTFSA-N 497.463 5.206 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1nc(-c2ccccc2)cs1 247755878 WJKTWENDFBTORJ-LJQANCHMSA-N 483.578 5.619 30 20 JKED Cc1ccccc1-n1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1cccnc1 255932731 LXHLSORZPTYFMJ-UHFFFAOYSA-N 478.581 5.481 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 303374630 KXAYQMGITHTUJT-XXBNENTESA-N 476.671 5.921 30 20 JKED Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1NS(=O)(=O)c1ccccc1 478340021 LWMQGDRZCIGYFU-UHFFFAOYSA-N 467.550 5.587 30 20 JKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481664064 XJGCQIVFYUXAEW-SFHVURJKSA-N 474.536 5.126 30 20 JKED COc1ccc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1F 487287456 CLEDKSQDFLLAMK-UHFFFAOYSA-N 463.456 5.343 30 20 JKED CCOc1cc(Br)c(CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1OCC 487803346 HRQLOSRYWPNMLH-UHFFFAOYSA-N 499.327 5.252 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(OCCCN(C)C)cc1 491720458 BPLBFJNSNITPAY-UHFFFAOYSA-N 458.562 5.311 30 20 JKED COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)c(OCCCC#N)c2)c(OC)c1 493886122 QDJDFTFCSVTHDQ-SANMLTNESA-N 473.529 5.166 30 20 JKED N#Cc1c(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)sc2c1CCCC2 495683001 VYMCCEHBEMLYOA-UHFFFAOYSA-N 458.406 5.566 30 20 JKED C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Oc2ccccc2)c(F)c1 498716439 GZXFFXDCEPXIST-GOSISDBHSA-N 466.534 5.186 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 501153102 ZHDLPBFZHJJBHX-UHFFFAOYSA-N 483.543 5.966 30 20 JKED CCCCOc1c(Cl)cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OCC 501744503 HIICVOSEKFRAFO-UHFFFAOYSA-N 483.996 5.280 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)CC2)c1 501750777 XLQFKMVKEQMTAZ-UHFFFAOYSA-N 469.507 5.266 30 20 JKED COc1cc([C@@H](C)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1OCc1ccncc1 502724421 UJTQXNBNRTZEPF-OAQYLSRUSA-N 493.563 5.611 30 20 JKED Cc1nc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)sc1SCC#N 504715222 DZRVIOGMKPUDIA-UHFFFAOYSA-N 453.376 5.600 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 505686150 LJENYAGQUPSCFN-HHHXNRCGSA-N 477.520 5.469 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 508978001 LCEOBLRBULMVRW-UHFFFAOYSA-N 483.549 5.365 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2nccs2)cc1Cl 509592604 OZDYZJAMHJSHCN-JTHBVZDNSA-N 458.974 6.363 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 510254015 FUAICULHJGFNMZ-UHFFFAOYSA-N 490.368 5.317 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 511352026 DPJCIISOHLODOJ-UHFFFAOYSA-N 477.948 5.468 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1Cl 514575022 WYOHIVADVAHXQZ-QFIPXVFZSA-N 486.984 5.885 30 20 JKED COc1ccc([C@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1Br 515101365 UXKSDLNAWAXKQE-ZDUSSCGKSA-N 471.380 5.259 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1NC(=O)c1ccccc1F 515542482 PIASIHXRXQUFII-FQEVSTJZSA-N 455.514 6.000 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 518158745 MLMNKVKJQNOJQH-ZHRRBRCNSA-N 456.011 5.578 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc(-c2ccccc2)cs1 518245703 DCHZJAWSGHQDHW-UHFFFAOYSA-N 461.568 5.538 30 20 JKED CC(C)COc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 520372832 QIGBIVOLEQABOH-UHFFFAOYSA-N 459.571 5.576 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 520826495 XSGJFLJUHGVLRC-MRXNPFEDSA-N 483.590 5.439 30 20 JKED COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 521809378 FCFVVIJXISUONX-KRWDZBQOSA-N 459.015 5.093 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1)c1ccccc1 591862245 LPRMCJPBDYTEDF-LJQANCHMSA-N 473.504 5.855 30 20 JKED COc1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)ccc1OCc1ccc(Br)s1 603640359 ADLREPFVMVFHED-QGZVFWFLSA-N 475.339 5.232 30 20 JKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 603661348 UUJKNCGKUCWBKM-UHFFFAOYSA-N 496.537 5.119 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc(-c3ccc4ccccc4c3)o2)n(Cc2ccco2)c1C 603726687 SILYMIWMNNEWGF-UHFFFAOYSA-N 497.580 5.942 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1 604140634 VGYPCXITQZOPHZ-UHFFFAOYSA-N 479.968 5.305 30 20 JKED C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2[N+](=O)[O-])C1 604234733 MMJMAJLEXYTKTJ-QGZVFWFLSA-N 457.490 5.142 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1 604535655 JZRBYOWEKLJZQU-UHFFFAOYSA-N 476.646 5.087 30 20 JKED N#Cc1ccc(N2CCC(NCc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)CC2)nc1 608983142 KHSFEIZGTOJQMQ-UHFFFAOYSA-N 463.925 5.066 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)c1 609045204 XEZSRDNFCBFXHA-UHFFFAOYSA-N 466.497 5.304 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCC3(c4ccc(Cl)cc4Cl)CCOCC3)o2)cc1 609058750 NOTJZHJLLSSLAK-UHFFFAOYSA-N 485.367 5.515 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12 609072755 ZEMNVQSYZBEZDJ-UHFFFAOYSA-N 459.509 5.408 30 20 JKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609083549 ZBMYIQJSJBJLPF-UHFFFAOYSA-N 454.477 5.691 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCC3(c4ccc(F)cc4)CCC3)cc2Cl)c1 609089448 NXZCIKDPOGBKKF-UHFFFAOYSA-N 491.950 5.106 30 20 JKED CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609164177 ICZUPSITQPOPPP-JYFHCDHNSA-N 470.960 5.163 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 609184819 ZKBOEFXSLZNVSV-UHFFFAOYSA-N 491.657 5.125 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)c2)cc1 609209671 IKZSAQIFCARPDA-UHFFFAOYSA-N 472.520 5.050 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 609384550 OKYQHIMLEKMUEM-INIZCTEOSA-N 490.535 5.375 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnn1-c1ccc(OC(C)C)cc1 609428868 BVKMTPPTTICFEW-UHFFFAOYSA-N 453.502 5.279 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 609434429 IMOQUVSLCZNWOU-UHFFFAOYSA-N 473.529 5.443 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccccc1F 613388866 PHFCUSAYXNWXIR-VWLOTQADSA-N 490.579 5.749 30 20 JKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 622572083 WKZJVNVFNZAGMZ-UHFFFAOYSA-N 483.359 5.576 30 20 JKED COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Br 642282010 CAADPRZBNJHZNB-LLVKDONJSA-N 455.255 5.576 30 20 JKED O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642667419 FZJJMDPXCNOJRB-VXGBXAGGSA-N 465.369 6.044 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 684255469 XAPMIYVSGAIKQB-HXUWFJFHSA-N 455.672 5.044 30 20 JKED Cc1cc(-c2csc(=Nc3ccc(C#N)c(Cl)c3)n2[C@@H](C)CN2CCCC2=O)c(C)[nH]1 726391262 FXGXCKJYLMTAKG-HNNXBMFYSA-N 453.999 5.102 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1CC[C@@H](C)OC 726393453 OYKGUAMPGHSWMA-IERDGZPVSA-N 490.025 5.042 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 726403314 ZUASKBKYNBNYEC-VBKZILBWSA-N 477.989 5.173 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(C)C)C2=O)c1 726415931 PZKNTGRWDDNJCF-QHCPKHFHSA-N 499.633 5.107 30 20 JKED COc1cc(/C=C2/CCc3sccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 726892861 OURAJLKQVNXVAT-VBKFSLOCSA-N 453.947 5.640 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 728119177 JRWDKWUXPVKWKC-NZQKXSOJSA-N 492.620 5.603 30 20 JKED Cc1ccccc1-c1nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c(=S)n1Cc1ccco1 729466904 FNJFUQIOUWFHKL-UHFFFAOYSA-N 485.613 5.403 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2sc3cc(Br)ccc3c2Cl)c1OC 729845878 WEUCHUQIJZZCBL-ZDUSSCGKSA-N 465.756 5.329 30 20 JKED N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 729889368 OHRTXAKTPBFDKE-OAQYLSRUSA-N 489.362 5.736 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(C3CCC3)C2=O)c1 730459670 LTJSDDJTPDJUED-NRFANRHFSA-N 488.009 5.178 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(C3CCC3)C2=O)cc1 730462942 QXJBXEGHDMAERT-QGBHTJAESA-N 457.621 5.089 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c1 730719191 XVICBKWSYLIOHU-HXUWFJFHSA-N 468.966 5.051 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 730920553 NWOFMMQRENTOFY-SFHVURJKSA-N 469.324 5.299 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1 730942855 YINGILRIQHXQPV-KSFYIVLOSA-N 496.995 5.904 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1cccnc1 730942929 ZLIDWLBZUAMTSN-JTSKRJEESA-N 494.567 5.698 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 731065716 MEJJBJYPPZCAGT-MRZGDXHCSA-N 482.911 5.806 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 731075563 FIRWEMYTHROTHY-AWEZNQCLSA-N 489.384 5.226 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c2cc(Br)ccc2n1 731078840 WWZBAQGSHBHJOL-CQSZACIVSA-N 498.402 5.353 30 20 JKED N#C[C@@H](NC(=O)CCCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl 731195475 HSJKPASKLMSAIT-CALCHBBNSA-N 498.197 5.532 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 732637504 HHRBJZPFCADEFS-UHFFFAOYSA-N 492.959 5.230 30 20 JKED CC(C)OCCOCc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1 743537996 FWJJAZCMDNCCLD-UHFFFAOYSA-N 471.189 5.609 30 20 JKED C[C@@H](Sc1nnc(-c2ccncc2)n1CC(F)(F)F)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 743553251 BJNNWDDUFWEGHG-CTFRJJSNSA-N 487.551 5.264 30 20 JKED CC(C)c1nc(C#N)c(NN=Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)o1 745612162 SDIFZBIKAIANQA-UHFFFAOYSA-N 482.544 5.189 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccn2)n(-c2ccc(C)cc2C)c1=S 746050501 MJRMCHLHELCDMH-UHFFFAOYSA-N 484.629 5.060 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3cccs3)cc2F)ccc1S(=O)(=O)C(F)F 747065775 FFMRCHAAADFMNL-SOFGYWHQSA-N 452.475 5.455 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OCCCC#N 747473128 SHQBGECDQZQHQY-DEDYPNTBSA-N 458.992 5.745 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 749360672 AMHSOIBQTVYBKN-UHFFFAOYSA-N 477.387 5.251 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(-c3ccc(F)c(F)c3)n2)n(C2CCCC2)c1C 750160862 FBMHJPLIHRIMNH-UHFFFAOYSA-N 498.555 5.218 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)n(Cc2ccco2)c1C 755698243 BJQBIQQKELOTAR-UHFFFAOYSA-N 489.503 5.132 30 20 JKED CCOc1cc(/C=C2\N=C(SCCCC#N)N(c3ccc(OC(F)F)cc3)C2=O)ccc1O 780049666 BPXBLKGNFQMBDI-AQTBWJFISA-N 473.501 5.173 30 20 JKED C=CCOc1c(Br)cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1OC 810197981 CIIKDWOUTJZBGN-LDADJPATSA-N 473.392 5.531 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1C 837300031 QQMMBQUVRXUMBX-AUSIDOKSSA-N 458.587 5.420 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 837763864 JAVRJLRGIWRJSJ-AVRWGWEMSA-N 498.583 6.095 30 20 JKED CC(=Nn1c(S)nnc1-c1ccc(OC(F)F)cc1)c1sc2nc(C)nc(C)c2c1C 863966748 NDMZFRKMADSNRS-UHFFFAOYSA-N 460.535 5.037 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1c(C(C)C)nn(-c2ccccc2)c1Cl 914559894 KHSQPTKEFCOWKP-UHFFFAOYSA-N 497.024 5.389 30 20 JKED N#CCCCCOC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1Cl 914598061 USEGMENGZDMTGY-UHFFFAOYSA-N 482.989 5.586 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2cccs2)cc1 914694632 PZRANEJRGAETMR-AOMKIAJQSA-N 497.617 5.487 30 20 JKED COc1cc(OC)cc([C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2nccn2C)c1 915351772 CBRFLZKRFFHUDS-FTJBHMTQSA-N 481.556 5.004 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3ccc(F)c(F)c3)cc2OC)cc1 916127703 UZJPZASKGJURSG-QCDXTXTGSA-N 467.468 5.286 30 20 JKED CCOc1cc(/C=C\C(=O)c2cc3ccccc3o2)ccc1OCCn1c([N+](=O)[O-])cnc1C 916138319 DUCTXLSJLIXVJX-NTMALXAHSA-N 461.474 5.220 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O 916205140 HGQCAKYLYDENDQ-OAQYLSRUSA-N 498.967 5.043 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCc2ccccn2)C1=O)Nc1ccc2ccccc2c1 916208507 IQCFWIYGNDWRBK-RUZDIDTESA-N 498.583 5.577 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2C(F)(F)F)NC1=O)Nc1ccc(Oc2ccccc2)cc1 916229913 WZEWNZIGKAKUSZ-FQEVSTJZSA-N 485.487 5.746 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2cccc(Cl)c2C)cs1 916299043 YEMKDLBVJNETGW-UHFFFAOYSA-N 472.039 5.727 30 20 JKED O=[N+]([O-])c1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1Oc1ccccc1Cl 916307698 KEBAIJKVRZOIGD-UHFFFAOYSA-N 451.895 5.470 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 916679599 TYWDRXAEFNEILD-MUUNZHRXSA-N 467.617 5.066 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)c1nc(O)c2c3c(sc2n1)CCCC3 916846781 FCSFRIRHTJIODM-SXAWMYDMSA-N 475.570 6.033 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCOc1cccc(Br)c1 916902624 GPMQBDYDCWZLKG-HXUWFJFHSA-N 457.368 5.080 30 20 JKED Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)sc21 916908640 NKNPTCBKDXBDOJ-HXUWFJFHSA-N 465.534 6.146 30 20 JKED Cc1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 916926972 AWTPMQCSYRXSJW-BTKRWWFXSA-N 452.135 5.425 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 916955736 UCSQJPSSWRVIFA-BTYIYWSLSA-N 496.430 5.976 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccc2c(c1)OCCO2 916965565 NPTCDJJYTXKGMK-JOCHJYFZSA-N 483.499 5.025 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c2c(C)c(C)sc2n1 917039838 FELNYIFZBISZSC-ZDUSSCGKSA-N 457.531 5.330 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917671100 LBYSOPCDWSANTH-ARNLJNQMSA-N 490.673 5.199 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)sc2c1-c1ccccc1CC2 917774682 RPWKCHFJDOUGNH-JLHYYAGUSA-N 467.594 5.276 30 20 JKED Cc1ccc(-n2nc(CCCNC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)c(C#N)c2N)cc1 918573987 KAQARCFHPOXMQS-NRFANRHFSA-N 480.616 5.025 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918736386 URPGDEZAZSNXAM-ZIAGYGMSSA-N 468.442 5.426 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 920106348 XJUAXLWEVGIDQF-QGZVFWFLSA-N 490.313 5.290 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)Cc1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920110133 LPCBIBJVTOJWNJ-VQIMIIECSA-N 490.437 5.588 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cc(C)on3)C2=O)c1 920353564 MTSORSXVXJOAME-QHCPKHFHSA-N 492.601 5.276 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 920357965 WVENZFPCYUVNQJ-FQEVSTJZSA-N 468.966 5.105 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(Cl)c(C(=O)O)c2)cs1 920358459 SWRQBXXDINHTFX-UHFFFAOYSA-N 482.871 5.644 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 920675198 AJHKEJWJDWHVKT-SECBINFHSA-N 452.344 5.234 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1C 920893222 PWJAXXSFRPABDK-FQEVSTJZSA-N 486.572 5.103 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]31)C2 1779511553 NHAVIGHVTDBTEB-WEQGDAHASA-N 458.687 5.099 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CC[C@H]4CNc5ccccc5C4)CCC3)cc2)cc1 1785880700 OSBWKHBOSUDYBS-XMMPIXPASA-N 492.623 5.299 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4OCCc5ccccc54)cc3)CCC2)cc1 1786314621 WZQWTLHZTADDRQ-SANMLTNESA-N 465.553 5.010 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CCOc3ccccc3)CCC2)cc1 1788649326 IQVTWGRTSYDPFL-BUHFOSPRSA-N 474.582 5.090 30 20 JKED Cn1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c(C(F)(F)F)c1 1788826606 RKCQQYAVLKXFHE-UHFFFAOYSA-N 484.453 5.116 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@@]3(F)CCCCC3(F)F)cc2)CCC1 1789164082 IPNNSEAFXWHAAO-LTDXDOBXSA-N 490.547 5.539 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(F)(F)F)CCC2)cc1 1789453265 SVQCGJBYMITUEC-LJQANCHMSA-N 457.496 5.617 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1789577024 MXOZNUPBQHTACF-ZCTHSVRISA-N 478.552 5.208 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)cc2)CCC1 1790015751 XMXHGWMMABWANE-GOSISDBHSA-N 482.609 5.363 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccc(F)cc4)CCC3)cc2)c1 1790072729 IDCXWIOHWNGZRN-FTJBHMTQSA-N 483.543 5.257 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccoc5c4)CCC3)cc2)c1Cl 1790081583 BPCFWOBQAJGPHK-UHFFFAOYSA-N 470.916 5.414 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)on1 1790082575 GTBIKBQJBIAWBS-UHFFFAOYSA-N 462.937 5.385 30 20 JKED C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1)Oc1ccccc1 1790290493 QLYMFCHRRGOCGD-HXUWFJFHSA-N 453.542 5.164 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cc[nH]n4)cc3)cc2)CCC1 1790740301 SJHWJSUOZZWASG-UHFFFAOYSA-N 450.489 5.036 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)nc1 1790763951 IBWFQHQKDPNMCC-UHFFFAOYSA-N 472.976 5.296 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790974932 RLVBJCXUBFBXHK-UHFFFAOYSA-N 466.006 5.555 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Cl)s3)CCC2)cc1 1792236014 QMONRAXGUUIKIJ-UHFFFAOYSA-N 479.989 5.029 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CNC(=O)OC(C)(C)C)c(C)c1 1799260433 SBCYLBDCYAWPER-QEIWAGNOSA-N 495.664 5.040 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)[C@@H]2c2cccnc2)C1 1802417720 KXBDEVUMWDJUIW-IIBYNOLFSA-N 477.914 5.040 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1803086259 HKJCRJKTEBFKHJ-GJZUVCINSA-N 498.652 5.637 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C3)c1 1803681489 RKTZEJLUCYOUPA-GAZPGATBSA-N 456.373 5.186 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc5cccc(F)c5s4)CC3)C2)cc1 1804759227 VFHIRRODBFFRCW-UHFFFAOYSA-N 489.616 5.390 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1808702559 CJLZRVDLFCPARU-RXVVDRJESA-N 477.527 5.314 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1809276154 CLIJXBYSZZXSTJ-GJZUVCINSA-N 470.617 5.250 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCSCc2ccc(C)cc2)[C@@H]1c1cccnc1 1810183461 VQIZUAFLVRGVPX-STROYTFGSA-N 491.701 5.488 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810497823 IIJBRCKNXKNKAQ-RCZSKKKRSA-N 471.692 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3cc(C)[nH]c23)[C@@H]1c1cccnc1 1810500259 NVJOQGFBDSVDNQ-RCZVLFRGSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1810503564 QKZMMVLGXDMYHO-XUZZJYLKSA-N 480.052 5.465 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1810768700 XTTHAVIRCHWVCN-FXAWDEMLSA-N 475.420 5.095 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811418839 BICJGAWQZKYBHT-BKMJKUGQSA-N 495.067 5.923 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811466128 HSKIJLSIPMQEKA-PXARDIRTSA-N 464.368 5.059 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1811615999 BGUHNUMBUKYKEZ-PQHLKRTFSA-N 494.639 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cc(OC)cc2C)[C@@H]1c1cccnc1 1811646480 XPUSXGRKALBOBB-RDGATRHJSA-N 463.622 5.019 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1812791078 GZNZFHZPUTYAOB-GCMXZSHTSA-N 486.660 5.054 30 20 JKED Cc1cc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c(C)c1 1813789880 MRUZMHGBCCRNSH-MCOVPRHSSA-N 480.612 5.267 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c1 1813868401 NCBWQFSUUXRGKB-MCCOCYNGSA-N 490.966 5.135 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1814303134 LXYARGXPFJLSIM-HQQGYVGFSA-N 469.629 5.394 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)[nH]n1 1814443153 NXWZLSBNEPIYLY-QGZVFWFLSA-N 472.973 5.090 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(Cl)cc3)n[nH]2)c1Cl 1816933624 VGHUYQPBNOHNTD-HXUWFJFHSA-N 482.371 5.137 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3nc(C)ccc3o2)n[nH]1)c1ccccc1 1817689920 BFQVLKWNGUEUCW-URXFXBBRSA-N 495.583 5.362 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C(C)C)nn3ccccc23)n[nH]1 1817795205 ZGPYDSKDOQPNHF-PZJWPPBQSA-N 474.609 5.255 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3ccc(OC)cc23)n[nH]1 1819056940 XSHJJHTVPXFUJU-QFIPXVFZSA-N 463.582 5.198 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)Sc2cccs2)n[nH]1 1819254341 PJZMRIGVRVLTTG-QFBILLFUSA-N 458.653 5.413 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)cc2Cl)[nH]n1 1819310045 ONYNENXMLYFAOS-BKVXWFHVSA-N 468.985 5.243 30 20 JKED COc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)ccc1C 1819386969 RRALZEZVALHCDZ-QFIPXVFZSA-N 480.685 5.084 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2F)[nH]n1 1819387024 UZNMCWAXAWSCTL-NRFANRHFSA-N 472.612 5.045 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2cccc3ccccc23)n[nH]1 1821348905 CZSCFOCHKVANBB-DEOSSOPVSA-N 493.567 5.965 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3c(Cl)cccc23)n[nH]1 1821392851 KCEZIGDLGNSOKU-LJQANCHMSA-N 466.973 5.014 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(CC)CC)n[nH]1 1821752817 DDTCDIIWYDGOIC-AHWVRZQESA-N 477.653 5.253 30 20 JKED CC(C)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1821933372 VVXWPYFUJGQAGM-LJQANCHMSA-N 461.488 5.042 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@H]3OCCc4ccccc43)[nH]n2)c1 1823211662 OPVBOYNZGZRJGH-JSRBVGTNSA-N 497.599 5.047 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823217044 GNULVBICBPARCU-MBSDFSHPSA-N 471.561 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)n[nH]1 1823390934 BGEPEUQYKJHHKO-MLYOOKFZSA-N 466.548 5.539 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)CC2)C1 1823700862 LLVUAKNHYUYXAI-RUZDIDTESA-N 492.660 5.839 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC2)C1 1823704463 CWOBVFHMRHWHAV-DEOSSOPVSA-N 489.701 5.048 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1)c1ccc(O)cc1 1824354910 RHCKAPLXYKVYEP-BDYUSTAISA-N 464.650 5.089 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1824497148 GXCYJRVPBXFIPA-QHCPKHFHSA-N 458.643 5.102 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)cc1 1825095977 OYPBYYMDGUSZCD-KDUQBOLBSA-N 480.612 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)nc2F)CC1 1825370022 GMKSLBSUGBVSKI-IBGZPJMESA-N 494.449 5.209 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)s1 1825790966 SLHZJGFOEMIEMA-HSZRJFAPSA-N 479.646 5.263 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683058 SNMSONGOTATBLA-RQWLHQTBSA-N 456.652 5.099 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)cc2s1 1827683995 TYDAMOBEEARDDJ-CQQBXOTJSA-N 495.670 5.272 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)cc1 1829456376 BTOKBFPRILFTKE-HSZRJFAPSA-N 499.442 5.126 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C4(C#N)CCC4)CC3)ccc21 1829696100 YBVWONXJUPHYEP-AREMUKBSSA-N 496.655 5.742 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2OC)CC1 1830662448 LWBUCRKDSOFBEC-OAQYLSRUSA-N 462.581 5.199 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830750579 HPUZNOHWOOPDRE-PIKZIKFNSA-N 469.629 5.738 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c1 1830765130 HFQMCQAJVGBJEF-JOCHJYFZSA-N 470.038 5.058 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)cc1 1831750355 AASRZIXWNSKDRM-QOKVKHORSA-N 491.676 5.294 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)S)CC2)cc1 1831846047 VFRRLKWCQCTEEM-CJFMBICVSA-N 450.648 5.214 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c(Cl)cc2C)CC1 1831858502 TXEGNACAORTCJI-HXUWFJFHSA-N 467.835 5.220 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(N(C)C)cc2)CC1 1832054390 LTKWWQMFSAOZBB-MHZLTWQESA-N 465.682 5.073 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c1 1832631216 BFIZTVGYBOYMEK-FQRUVTKNSA-N 469.585 5.607 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)c1 1832632215 MQLOSCQABXZYQX-RDPSFJRHSA-N 453.602 5.219 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(F)(F)C(F)F)CC2)cccc1C(F)(F)F 1832700284 SXQCFHXIHGGVJX-QGZVFWFLSA-N 482.440 5.148 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832709872 CRVUNHXIJURSOY-JOCHJYFZSA-N 466.519 5.271 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)C1 1844675714 WGVVBNZCHJQXSS-UHFFFAOYSA-N 497.715 5.474 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1C 10170687 LXVDBCIBISLXFX-UHFFFAOYSA-O 498.628 5.347 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)c1C 11113229 GWQGZYQXMJXXAF-UHFFFAOYSA-O 490.577 5.193 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccc(Oc4ccccc4Cl)cc3)cnc21 11180672 UXRDGTRXALWRTQ-UHFFFAOYSA-N 484.990 5.259 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 11296883 UWEJYJWQQUHTKK-KRWDZBQOSA-N 461.612 5.108 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)Nc1c(F)cc(F)cc1Br 11586502 DRIYGERKQVWNRN-UHFFFAOYSA-N 471.257 5.061 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O 15231779 WDCPBJPWOVNWQH-QFIPXVFZSA-N 495.988 5.176 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 16171747 WHHIZIVXJKTNLB-QHCPKHFHSA-N 494.910 5.202 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1 17758819 XAYFUZNELOMREC-UHFFFAOYSA-N 477.640 5.266 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 17883521 FKSIUZPWWIYJDL-UHFFFAOYSA-N 461.616 5.770 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)Nc1ccc(SC(F)F)cc1 22690207 COEQRMWIKCBBHO-UHFFFAOYSA-O 479.544 6.180 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc3c(c2)CCCC3)cc1 22732351 HSQOCJDFCUTRST-UHFFFAOYSA-O 459.635 5.865 30 20 JKED COc1ccccc1/C=C(/C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 23278615 MUUROJRACTXKMQ-WNSCPLKPSA-N 472.566 5.228 30 20 JKED Cc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cccc1C(=O)N1CCc2sccc2C1 26411960 JNFVLOSYPVJOOT-UHFFFAOYSA-N 477.589 6.046 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(NCc3ccc(F)cc3)s2)cc1 28122669 REQRJGWKFOQJNQ-MRXNPFEDSA-N 455.584 5.025 30 20 JKED COc1cc(C(=O)Nc2cccc(OCCCC#N)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 68731147 RRZWUHQHZFMBOB-UHFFFAOYSA-N 481.892 5.984 30 20 JKED CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 72029075 RQISIUBOZTZXIL-AREMUKBSSA-N 487.554 5.609 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 110584423 YWWAKCLQXYRESD-UHFFFAOYSA-N 489.023 5.621 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1 110894090 FKYOTHHOWOUFBU-UHFFFAOYSA-N 452.967 5.053 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1ccncc1 302950584 MMXRIPXCDPFIGD-UHFFFAOYSA-N 453.571 5.082 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 303157364 OUBJPBNOBOZEEW-MNLRITNHSA-N 470.038 5.895 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCNC(=O)c3ccsc3)cc2Cl)c1 303185953 LNIPHCXUCPNHDB-UHFFFAOYSA-N 453.951 5.001 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 303202727 ZYTMUCPCJXJJPU-IBGZPJMESA-N 456.521 5.038 30 20 JKED COc1ccc([C@@H](NC(=O)CSc2ccc(C#N)cc2)c2ccccc2)cc1Br 485309859 AYIXKTAOKKWXHN-QHCPKHFHSA-N 467.388 5.327 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 485692571 PPVSSCKUHUHABO-UHFFFAOYSA-N 496.336 5.239 30 20 JKED C=CCN(C(=O)Cc1coc2cc(C)c(C)cc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491056487 BYYLQDQCNMSIOS-UHFFFAOYSA-N 480.611 5.338 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1[C@@H]1COc2ccccc2O1 501115371 YUCBAGFXEUKKEJ-KUHUBIRLSA-N 481.965 5.533 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)CCCc4ccccc4)CC3)cc2)cc1 501157978 CWNXREAMCMMXSF-UHFFFAOYSA-N 468.557 5.050 30 20 JKED O=C(Cc1csc(-c2cccc(Br)c2)n1)NCC#Cc1cccc(C(F)(F)F)c1 502452524 XBJLIAUZCGAHIF-UHFFFAOYSA-N 479.321 5.302 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2Cl)cc1 502639039 SNFUFCSEBZFSDE-UHFFFAOYSA-N 499.958 5.758 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(F)cc1 503601493 MRUMSCLXJWXJRA-UHFFFAOYSA-N 465.912 5.176 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)cs1 506529363 HWRCFNSTSFFKEA-MRXNPFEDSA-N 487.585 5.332 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 508239530 DNCCIADEKCZJGP-GOSISDBHSA-N 468.517 5.165 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511416439 SJCJIOKWHFPLOQ-UHFFFAOYSA-N 453.464 6.014 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3-c3nc4ccccc4s3)CC2)cc1 514510132 ZZKORKOROIXHHM-UHFFFAOYSA-N 467.598 5.575 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 517776151 PAVHQEMUBMNTSB-XMMPIXPASA-N 467.013 5.113 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 518151881 ZDYIVLCSGLLIBG-IBGZPJMESA-N 481.687 6.074 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 518753335 MRBBMEGJSKOKGB-HNAYVOBHSA-N 460.397 5.449 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(COC(C)C)c2)nnc1-c1ccc(Cl)cc1Cl 520407038 ANORNSLBPCKHHV-UHFFFAOYSA-N 491.444 6.094 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc(-c2c(F)cccc2F)cs1 520427619 RALSHWMWPLNKNO-IBGZPJMESA-N 486.503 5.805 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccc(F)cc1F 521258540 AKOQJKZLIVXPMA-ZDUSSCGKSA-N 456.424 5.351 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 521314716 UAYBMQYPZXTONO-INIZCTEOSA-N 498.534 5.123 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 521755712 HHHBBBYBHCAXAA-SANMLTNESA-N 470.573 5.135 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(OC(F)F)c1 523533701 CKLSMKRQRZDALO-QGZVFWFLSA-N 453.464 5.772 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSCc1ccc(Br)cc1 603738792 PBUZFVVTSMEWHN-UHFFFAOYSA-N 468.376 5.688 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1Cl 603829117 YJVLHIACRALJDW-DEOSSOPVSA-N 459.981 5.177 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 603961103 DEHHXHZLRMYPDE-UHFFFAOYSA-N 498.560 6.061 30 20 JKED N#CCCCOc1cccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 604044295 FCXJJZOMRNSVTN-QHCPKHFHSA-N 464.909 5.723 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 604126123 IMQWGTJZTPFSOY-XMMPIXPASA-N 472.614 5.146 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604133427 KTQYVZRVIKWRMM-DEOSSOPVSA-N 497.986 5.053 30 20 JKED Cc1sc2ncnc(SCCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2c1C 604335980 WWEAHHGCEDGNRJ-UHFFFAOYSA-N 461.572 5.488 30 20 JKED COc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604476463 GHEUQQPCDFFNHE-UUOWRZLLSA-N 475.976 5.080 30 20 JKED C=CCn1c(SCc2c(C(=O)OC)sc3ccccc23)nnc1[C@H]1COc2ccccc2O1 608845716 YYKFSHQCVZDTSG-LJQANCHMSA-N 479.583 5.270 30 20 JKED C[C@H]1CCc2c(sc3nc(SC[C@H](C#N)CCC#N)n(-c4ccccc4F)c(=O)c23)C1 608854579 OBRRVADOPVXZEH-GJZGRUSLSA-N 452.580 5.247 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@H]1C 609156707 ILLJSNOAHGIXGG-ZPZUNKDASA-N 494.595 5.777 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 609378635 ZRJKBNDJFAICJI-UHFFFAOYSA-N 487.981 6.731 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609402006 RHWCNZIQAZXYTD-MQYQWHSLSA-N 453.452 5.969 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346776 QPDPUQBVYXRFLJ-KRWDZBQOSA-N 498.416 6.921 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613405313 XSKZLHWDKNNXRO-IBGZPJMESA-N 492.482 6.032 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1 613937212 HRQYWYKETMLUIW-FQEVSTJZSA-N 491.419 6.033 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 615707223 SBMULXIAFFGQCQ-URLYPYJESA-N 462.312 5.706 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CC)c2ccc(Cl)cc2)nnc1-c1ccccc1OC 617988537 GSQQLVUAODGXPN-LJQANCHMSA-N 456.999 5.153 30 20 JKED C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 619385824 LFXWWRQCWQGWTL-WOPDTQHZSA-N 466.344 5.245 30 20 JKED O=C(c1ccccc1OC(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516962 WHCFLXNTLACKOS-MRXNPFEDSA-N 469.328 5.539 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCC)CC(F)(F)F)c1 642283953 HGCYXGJQFVUTFF-UHFFFAOYSA-N 474.932 5.136 30 20 JKED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1=O 725878913 SFQWAVPPELFNAC-OAQYLSRUSA-N 482.528 5.145 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726116106 BECWVOPNJWUGPB-GCJKJVERSA-N 495.674 5.611 30 20 JKED O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 726292502 XCOVRULQGCYKEI-HTQZYQBOSA-N 484.796 5.183 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@@H](C)OC)c1 726393727 QWYOMYZQCPVTME-XXBNENTESA-N 467.635 5.251 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1F 726410158 GAMSTMKZPZGCNG-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(C)C)cc1 726410881 JFPNWCKTDHPDEG-DNQXCXABSA-N 477.630 5.070 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\[C@@H](C)c1cccs1 726418153 AJIAOFJQDSSVBF-GDYZFOACSA-N 494.642 5.050 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)S/C1=N/[C@@H](C)c1cccs1 726419610 GBMPEHDIFPDLSF-UCSUXRFJSA-N 466.028 5.128 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1cccnc1)c1cccs1 726420049 HBHOPEVUKMKWOX-LMYSHUMHSA-N 464.616 5.294 30 20 JKED N#CCC[C@@H](C#N)CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 726797482 JXNNKIIVXKNYNH-LZNAANCOSA-N 489.815 6.567 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)cc1Cl 726892388 UJODZUNPOPVHGY-OAQYLSRUSA-N 499.976 5.111 30 20 JKED Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cs1 727562429 VKKTZFJCPPXSRC-UHFFFAOYSA-N 476.602 5.709 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 728130188 MTZFDDQCCBIEFC-ROUUACIJSA-N 474.527 5.635 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 728300188 ZBEKQCOFQOXGRI-CQSZACIVSA-N 491.872 6.388 30 20 JKED COc1ccc(OCc2nn(CN(C)[C@H](C)CC#N)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 728902162 JCMDMYIZWFJGAY-MRXNPFEDSA-N 491.539 5.201 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ncccc3C)C2=O)cc1 729635033 ZKKBZSUISGBISP-DEOSSOPVSA-N 488.613 5.339 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2C2CCC2)c1 730462601 OPGZBVUZVCBJTA-IBGZPJMESA-N 490.944 5.209 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccsc2)C1=O)Nc1cnccn1 730720350 JJLOOPUXSXRCTK-INIZCTEOSA-N 492.413 5.005 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 731067135 WRKIXLHBTJCNMZ-KRWDZBQOSA-N 474.542 5.855 30 20 JKED CN(C)S(=O)(=O)c1cccc(C(=O)/C=C\c2cn(C(C)(C)C)nc2-c2ccccc2Cl)c1 731156284 CXJQDLHZLUJLRD-YPKPFQOOSA-N 472.010 5.105 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)cc1 731307618 IQBNRGREQRLECP-UUOWRZLLSA-N 488.613 5.632 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2cccs2)c1 731309266 VAIDYADUGARSBB-VGOFRKELSA-N 479.627 5.354 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(C)C)c1 731312847 QJKQICHLHWCFGX-NRFANRHFSA-N 494.642 5.441 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc3ccccc3c2)no1 731313566 ZPJAVYVFHHFVLJ-QHCPKHFHSA-N 486.553 5.002 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 731349008 GHSXZMSTKLGAAJ-BBDWDQMGSA-N 477.611 5.746 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1OC 743449611 SPZWKTQPSRKPKA-AWEZNQCLSA-N 476.341 5.095 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccc2cccnc12 744998063 YWHCAONLMCACPT-XMMPIXPASA-N 496.592 5.404 30 20 JKED COc1ccc(CSc2nn(CN(Cc3ccc(C#N)cc3)C(C)C)c(=S)s2)cc1 746032590 AKAQMWWLDPFMOZ-UHFFFAOYSA-N 456.662 5.715 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cc(C)ccc1C 746697020 ZBTMOTOVCUHSFT-QFIPXVFZSA-N 489.588 5.359 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3cccc(Br)c3)s2)ccc1S(C)(=O)=O 747061681 LYUMBCCJUPRGGW-CLFYSBASSA-N 477.401 5.486 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCCCC#N 747472913 IVVVRSSGNSQHJN-YBFXNURJSA-N 479.410 6.090 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1 799218716 JJSPKFXSNQOLBR-HNNXBMFYSA-N 459.852 5.002 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 837425473 PBFNMZFFVXGVOA-MBSDFSHPSA-N 476.577 5.559 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N([C@H](C)c3ccccn3)C2=O)c1 837428160 WFIXOZUEQKYGSC-NTKDMRAZSA-N 488.613 5.429 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)c1 856140615 AENTWHKNUDGRIF-OAQYLSRUSA-N 497.624 5.133 30 20 JKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)c1 856575398 BLQOFSVWRLEXQP-IBGZPJMESA-N 476.964 5.950 30 20 JKED C=CCOc1c(Br)cc(CNc2cccc(N=S(C)(C)=O)c2)cc1OCC 864015098 DOXSFOPBVIEXDL-UHFFFAOYSA-N 453.402 5.384 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(C)C)c1 913118077 MBLIZOKDMBPUDV-OAQYLSRUSA-N 487.025 5.223 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC(C)C 913193169 BEYIOLUTKXVJEG-UHFFFAOYSA-N 477.586 5.449 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)Cc2ccco2)c1 914690869 ICQPOYIJPJVNPP-DVECYGJZSA-N 491.613 5.497 30 20 JKED C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)C1 915086564 LSJNBFDBIBNPRY-IBVKSMDESA-N 473.598 5.015 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 915354041 TYKOUCWYLBWZQJ-DEOSSOPVSA-N 462.956 5.484 30 20 JKED C[C@@H](OC(=O)c1cccnc1Oc1ccc(Br)cc1)C(=O)N(CCC#N)c1ccccc1 915513673 AZWLSGYOJWPSKR-QGZVFWFLSA-N 494.345 5.129 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)cc2)cc1 915802536 XZOJGZRXRAHJEK-QFIPXVFZSA-N 462.452 5.037 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCc3ccccn3)C2=O)c1 916215727 JJKZDGRVSHDQBJ-DEOSSOPVSA-N 472.614 5.210 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1ccccn1 916216054 ODRBIQBRONOYDD-RUZDIDTESA-N 480.593 5.704 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C=Nn1c(S)nnc1-c1ccccc1Cl 916276799 JHFCSJVKFHUAEN-UHFFFAOYSA-N 457.390 5.284 30 20 JKED Cc1nc(SCC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C#N)c(C)c1C 916556731 GDDUUBPBERLSNB-UHFFFAOYSA-N 485.653 5.145 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1Cc1ccccc1 916887376 NPCAQRCLCOMPBI-NRFANRHFSA-N 453.514 5.429 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1Cl 916938483 APSXUEILGLNZJD-QGZVFWFLSA-N 471.991 5.367 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 916941331 SJTDKQJGUUFAKN-TXTHVTMNSA-N 490.787 5.747 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976500 PTMCEWIURUGRBF-NRFANRHFSA-N 464.953 5.824 30 20 JKED COc1ccc2c(c1)C[C@@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CO2 916997293 VETFBPDMKUERLB-DYVFJYSZSA-N 459.354 5.553 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)n1 917076582 QQSDKDPQVAWFGS-SNVBAGLBSA-N 486.475 5.226 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@H]1CCN2CCC[C@H]2C1 917687841 WPKBAIKKNQUJGA-SONWIMMPSA-N 490.673 5.145 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 917688887 XMNKIKRNRRZTAO-LFVJCYFKSA-N 482.414 5.273 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@H](C)CCc3ccco3)C2=O)cc1 917704024 QMIRJZXOYMHDBT-DVECYGJZSA-N 486.597 5.441 30 20 JKED COc1cc(-c2ccccc2)sc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 919459444 FXOQRBGEUKKWES-MRXNPFEDSA-N 452.507 5.055 30 20 JKED C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 919799958 MJYPINBHZPPUSF-UUOWRZLLSA-N 490.401 5.181 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 919893646 NGTDEASJQTXKJF-UHFFFAOYSA-N 481.549 5.127 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 920106357 XODJRTAOSJUMEM-IBGZPJMESA-N 456.502 5.530 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 920360380 XRABGNLSZDMPHP-XMMPIXPASA-N 484.581 5.605 30 20 JKED CCOCCOc1ccc(Br)cc1/C=C1\SC(=Nc2c(C)cccc2C)NC1=O 921259393 QCWDGNFDLKGFMZ-UYRXBGFRSA-N 475.408 5.373 30 20 JKED N#C[C@@H](C(=O)CSc1nc(O)c2ccc(Cl)cc2n1)c1nc(-c2ccccc2)cs1 1613552076 IXRVVBVDQWSWQY-HNNXBMFYSA-N 452.948 5.081 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@H](O)c4ccccc4Cl)CCC3)cc2)c1 1786041610 OHJZRJPCASENCZ-AREMUKBSSA-N 487.987 5.012 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Br)cc4s3)CCC2)cc1 1787887668 PJJKULLCDDFBDW-UHFFFAOYSA-N 482.403 5.715 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CCC2)cc1 1788029073 SSYBXYIHSSLVGD-NKKJXINNSA-N 464.654 5.009 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CNc4ccccc4C3)cc2)CCC1 1788066244 DHBISLMHYMYSAH-DFBJGRDBSA-N 465.663 5.140 30 20 JKED C[C@H](Sc1ccccn1)C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788648781 QCYABXCASDAFRY-HHNLSAEISA-N 491.638 5.197 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccoc3C(F)(F)F)CCC2)cc1 1788649463 JPBQHGLALHFGRO-CMDGGOBGSA-N 488.487 5.547 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc(F)c(F)c3)CCC2)cc1 1788650049 SFNMHBRNGODWSX-ZHACJKMWSA-N 466.509 5.213 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4c[nH]c5ccc(Br)cc45)cc3)CCC2)C1 1789194297 IDJKYUHZLPYNFY-UHFFFAOYSA-N 492.417 5.573 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789198785 CAGKMXIQSJIIHX-FCHUYYIVSA-N 497.680 5.760 30 20 JKED Cc1ccc2nc(C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)sc2c1 1789577285 OGIQLDALCNXOBQ-JFLMPSFJSA-N 472.570 5.065 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3cccc(C)c3)CCC2)cc1 1790564968 VLHIJZCUUQPHSR-NRFANRHFSA-N 484.600 5.606 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1 1790567175 IJFDZAMVQZJGFM-OAHLLOKOSA-N 479.474 5.393 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5cccc(F)c45)cc3)CCC2)c1 1790968893 KAQBUMWPKOFMRZ-QGZVFWFLSA-N 481.531 5.391 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5[nH]nc(C(F)(F)F)c5c4)cc3)CCC2)CCC1 1790987400 ODQPYUXHEVJICY-UHFFFAOYSA-N 481.478 5.023 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791726212 HIQDOLHHZSIAPJ-XZOQPEGZSA-N 481.637 5.008 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792207767 ICFGYENKVUOGLS-NKKJXINNSA-N 493.648 5.102 30 20 JKED CC(C)(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)cn1 1792236749 RBKABUQWWDFPIN-UHFFFAOYSA-N 482.584 5.077 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc2scnc2c1 1800504823 SKJLELGMWPTPFI-OOSCYNTBSA-N 491.616 5.262 30 20 JKED CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1)c1ccccc1 1800739845 BMCOAPGWGZULQL-BJESRGMDSA-N 469.507 5.023 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1802501072 RQZCMBCAVVNDTQ-NBGIEHNGSA-N 491.035 5.595 30 20 JKED CC(C)c1csc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)n1 1804793395 QCTQDCVYJHOROG-URXFXBBRSA-N 496.753 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(F)c2)[C@H]1c1cccnc1 1807878117 PNRVEPHIEZLTBT-RGODFAACSA-N 498.602 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1810171102 DQURISZQXSIDRS-IWVFXYMLSA-N 494.639 5.540 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1810179019 VXLGYNCUHNSCSG-NOXFTYBFSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810929535 AZHNYOGMWLYGQX-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810948951 ZBOWIEFLNBXNCS-MIZPHKNDSA-N 489.513 5.328 30 20 JKED Cc1ccoc1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811250658 AVCRWFQQRYBBHA-VSGBNLITSA-N 489.575 5.016 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3c(F)cc(Cl)cc3Cl)[C@@H]2c2cccnc2)c1 1811460001 OWIFFCSLGWZUEV-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811873423 MVERFHIWLFPPPE-REWPJTCUSA-N 498.549 5.284 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3c[nH]c4c(Cl)cccc34)[C@@H]2c2cccnc2)c1 1812236316 BUFISZDAERXUDS-IBVKSMDESA-N 497.986 5.030 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1812584919 SXLSXEQZICPLNP-SWHJIRTISA-N 487.566 5.341 30 20 JKED CC(C)c1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1812829381 DPEVWJINKCUBHU-XFHDSQNASA-N 494.639 5.394 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(OC)cc2)[nH]n1 1814440381 SEHSEXYKFMIYIN-GCJKJVERSA-N 452.599 5.207 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1815090430 RESQXVUAXVYGEU-YADARESESA-N 487.629 5.087 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)[nH]n2)CC1 1817111673 AEDVSIAQGMBICJ-VWNXMTODSA-N 489.526 5.217 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1ccc2occc2c1 1818703099 SSMIXGQAOHDXAK-QFIPXVFZSA-N 472.932 5.167 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1819308231 YHVUYNZIVJTEGY-XUZZJYLKSA-N 487.579 5.685 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1Cl 1820220444 XMIBUIXLDBCOOE-IBGZPJMESA-N 493.354 5.080 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(Br)cc2C)n[nH]1 1820316396 XSLYPJCQRWLUNC-INIZCTEOSA-N 477.428 5.042 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820316455 HFPMBMZWFXIGLE-HXUWFJFHSA-N 483.494 5.128 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)ccc1F 1821117599 NFQPVQRNSITKOX-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1)C(F)(F)F 1821692144 AYOJBCACBUXDLP-HNNXBMFYSA-N 469.533 5.023 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)n[nH]1 1823390927 BGEPEUQYKJHHKO-CGBFIWBNSA-N 466.548 5.539 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccnn4C)c(Cl)s3)CC2)C1 1823699788 BDPFHIQGKKTDKI-FQEVSTJZSA-N 487.069 5.002 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824989627 ZRNHVBCEDOVWHT-RDPSFJRHSA-N 461.046 5.331 30 20 JKED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3c1oc1ccccc13)CC2)C(F)(F)F 1825270846 ZNXPWBYRALJIBK-ZDUSSCGKSA-N 485.487 5.387 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1)c1cccs1 1825851831 GJVQGVVEGJKEFS-RCMYXZNBSA-N 477.051 5.135 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1)c1ccccc1 1826421141 ITCNQCHNTZARGR-RQRLQFOHSA-N 477.649 5.148 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1826691208 OOFXGFPTQMESCN-HSZRJFAPSA-N 482.422 5.139 30 20 JKED Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827681059 CIEXWXRYTBPRKV-CWSBKQHBSA-N 478.658 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827713471 IQTBATDVTYIGMM-DQEYMECFSA-N 475.633 5.652 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(-c3cccnc3)n2)CC1 1828824184 FNLITLPMSMVHFO-VWNXMTODSA-N 478.662 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1828824447 LBMPHFJLQXBRPC-BYXVTNLJSA-N 452.639 5.187 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](C#CC)c2ccc(O)cc2)CC1 1828831622 WFUWGOXIELJSEF-RZDMPUFOSA-N 476.661 5.277 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2Cl)CC1)c1ccccc1 1829032119 JLGKWIRFILZOBQ-ZEQKJWHPSA-N 478.036 5.166 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 1829068641 IVVYNPDDUPUHQU-QFIPXVFZSA-N 461.046 5.574 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2Cl)CC1)c1ccccc1 1829151039 MZTPGFJVHOENEK-ZEQKJWHPSA-N 478.036 5.166 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(OC)c2)CC1 1829678022 WGJBHIVZDFFIMO-CPJSRVTESA-N 453.627 5.017 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829707396 IVVKIWUAZLCEJE-ZBLYBZFDSA-N 478.608 5.317 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)CC1)c1ccc(Cl)cc1 1829780068 NZMAHAFDEJKSFM-LOSJGSFVSA-N 481.040 5.213 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829838642 RQBVAVAOWRNFBI-JTHBVZDNSA-N 499.652 5.628 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830766930 UUPWRIOWCWCSIY-XDKREJCVSA-N 461.631 5.265 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1)c1ccccc1 1830862140 PDYKPJCZMIDHQA-POURPWNDSA-N 493.651 5.665 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1)C(F)(F)F 1831291416 YPZVQSGLSDZCMQ-HXUWFJFHSA-N 468.947 5.110 30 20 JKED C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1831327132 FQVOHODJMVRAJL-DEOSSOPVSA-N 484.518 5.364 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1831443937 FIZHECDGZKERRE-CGBRIMPHSA-N 485.619 5.196 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1831443940 FIZHECDGZKERRE-LFBFJMOVSA-N 485.619 5.196 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)cc3Cl)CC2)cc1 1831774217 XTAMXZUCHUJOHE-WOKXFPNESA-N 492.019 5.058 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCCCCCC(=O)OC)CC1 1831853402 RQAKNTLLTPNPTO-AREMUKBSSA-N 488.713 5.484 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1 1831860716 XTWLDHTUJWRABR-HSZRJFAPSA-N 489.641 5.213 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4ncccc4c3)CC2)c1 1832629734 VPTMKJSEDTZGTR-ZTOMLWHTSA-N 494.639 5.338 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832629861 VUXIXIUZDRQNSI-QHCPKHFHSA-N 471.935 5.037 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832690034 BXZZHQAJNODZFH-SFHVURJKSA-N 460.899 5.063 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1832826165 JLBOGBJMRYOPPL-XMMPIXPASA-N 481.434 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H]3CNc4ccccc4C3)CC2)CC1 1837887948 QSNDSWWYCZYTQR-QHCPKHFHSA-N 495.708 5.042 30 20 JKED Cc1cc(C)c(C(=O)N2CCC(OC3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)CC2)c(C)c1 1838390651 UYTMYVIZKARUJE-UHFFFAOYSA-N 496.768 5.275 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)CC1 1838424190 SPQPNTIUTVAQTE-UHFFFAOYSA-N 498.561 5.449 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1838646414 UHUWDKWQYRTSOD-UHFFFAOYSA-N 499.671 5.235 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ccsc2)C1 1842380919 DRSJHHOYBPCWEV-NRFANRHFSA-N 491.698 5.209 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1ccc(F)cc1 10170957 QQZRNGSTAPKKCU-UHFFFAOYSA-O 459.522 5.662 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10172396 UBIZWJDSZXYWLD-UHFFFAOYSA-O 489.567 6.658 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc(OC(F)F)cc1 10172789 LLDDQRWCTUUKNH-UHFFFAOYSA-O 483.604 6.486 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)nc2ccccc21 10237919 OJSHDCUZLNJBAY-SFHVURJKSA-N 486.597 5.603 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2scc(-c3cccs3)c2c1=O 11382448 BFBNUJWFWRWKTC-AWEZNQCLSA-N 459.662 5.302 30 20 JKED N#Cc1ccccc1CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 11511641 VBGJCGAOJMEABE-UHFFFAOYSA-N 451.349 5.513 30 20 JKED N#CCCN(C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1cccc(Cl)c1 11646818 QIUNCNZGDFNVDI-JOCHJYFZSA-N 481.021 5.421 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2ccc3c(c2)CCCC3)c1 14872162 YSLVGJYCQRMADI-UHFFFAOYSA-O 494.478 6.229 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 15544227 YJDYLHLNPMCQEJ-UHFFFAOYSA-N 486.380 5.499 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)Nc1ccc(C#N)c(Cl)c1 16788219 QDVLCNVCAWMFQQ-AWEZNQCLSA-N 498.395 5.884 30 20 JKED C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 21644682 WJAIDLYCMUOHPB-SFHVURJKSA-N 475.549 5.153 30 20 JKED Cc1ccccc1-c1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c2cnn(C(C)C)c2n1 22140473 SZLVNAUMMMDBEW-UHFFFAOYSA-N 492.627 5.207 30 20 JKED O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NCC#Cc1cccc(C(F)(F)F)c1 22931862 SLPQZFBQZCXDMY-UHFFFAOYSA-N 469.843 5.037 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nnc1-c1ccco1 23201962 PQVYRDJWQYCGTL-AWEZNQCLSA-N 461.572 5.542 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)nnc1-c1ccoc1C 24703601 PDLSABBRZMKJKE-QHCPKHFHSA-N 458.587 5.225 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1C 29357150 BVNNKGQFZFSRMG-UHFFFAOYSA-N 482.613 5.044 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nc2cc3ccccc3cc2c1=O 31747456 YNEBENJBMJFSFP-GOSISDBHSA-N 486.597 5.006 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccco3)n2C2CCCCC2)sc2c1CCCC2 45699532 JCELEXIPIJFXOJ-UHFFFAOYSA-N 481.647 5.976 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3csc(-c4cccc(OC)c4)n3)cc2c1C 71886916 HMAGLIRJPAPSOK-BQYQJAHWSA-N 450.541 5.420 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 106025638 AYMZZSNDYNZBOC-UHFFFAOYSA-N 498.345 5.341 30 20 JKED Cc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1I 107875313 LWAIINKVJCMPLL-LJQANCHMSA-N 486.740 6.161 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1Cl 108270519 UEAFRGMFJOBADZ-JOCHJYFZSA-N 455.901 6.093 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 195665406 KAGPZMOGUHZIOY-UANIKKFDSA-N 469.629 5.370 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3cccnc3Oc3ccc(Cl)cc3Cl)CC2)cc1 195698034 NRWVBQHBFIEDOA-UHFFFAOYSA-N 481.383 5.400 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)nnc1-c1ccccc1F 216283852 UDTMWOQSYFIKMO-IBGZPJMESA-N 493.589 5.395 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)COC(c3ccccc3)c3ccccc3)s2)cc1 301683918 JYHRFTKULHVVSL-UHFFFAOYSA-N 472.595 5.447 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)CC2)c1 303192030 FRDGNYBMFMJIFC-UHFFFAOYSA-N 462.553 5.154 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 303254949 CBHBLKJJKAEZTJ-UHFFFAOYSA-N 462.933 5.699 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(C(F)(F)F)cc1 410155968 QQGSDAJNMCREHR-GFCCVEGCSA-N 452.370 6.005 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(Br)cc1Cl 489260535 SVKJDMGKKIOCRX-UHFFFAOYSA-N 455.853 5.201 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 490439318 ZGHCPRYYNPWDSU-UHFFFAOYSA-N 496.596 5.047 30 20 JKED C=CCc1cc(CNC(=O)CCc2ncc(-c3ccccc3Br)o2)cc(OC)c1OC 497322920 PAWNZKDVRZRFEL-UHFFFAOYSA-N 485.378 5.099 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 497360426 DCVRXHCUBCADNE-UHFFFAOYSA-N 451.866 5.209 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1nc2ccccc2n1-c1ccc(OC)cc1 497926651 CIUKRCJVXIKFBS-UHFFFAOYSA-N 488.661 5.132 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 500992823 BSZVYGFZHYUYQV-UHFFFAOYSA-N 463.537 5.390 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 502614052 JCIIBJXQBMOSRW-HXUWFJFHSA-N 463.347 5.366 30 20 JKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCc1ccc(C#N)cc1 504760991 XIZSYFPWLPWGQV-UHFFFAOYSA-N 451.876 5.039 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 505384138 ISCRNFISRBJPOI-UHFFFAOYSA-N 451.526 5.497 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc(OC)c1OC 508009682 HZDULHSHBDZPAW-SFHVURJKSA-N 497.891 5.061 30 20 JKED COc1ccc(CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 508275748 QOAMTOUTVUAZHP-UHFFFAOYSA-N 461.518 5.131 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 509605278 PLIMEGDCZKCZFL-UHFFFAOYSA-N 492.373 5.541 30 20 JKED Cc1ccc(OC2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CC2)cc1C 510211092 KYMLOUCSVXOUEZ-UHFFFAOYSA-N 479.631 5.394 30 20 JKED CCOc1ccc([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OCC 510237227 OYNWQFDIOPTPCH-HNNXBMFYSA-N 483.619 5.382 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1cccc(OCc2ccccn2)c1 510342071 MNCPTQQPMMKVCF-MRXNPFEDSA-N 470.451 5.356 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OC(F)F 510904294 XLIQEUPOJDRMJC-UHFFFAOYSA-N 481.499 6.323 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1nc2ccccc2n1C(F)F 515539456 SXIVXTKVYVXPKS-CQSZACIVSA-N 499.271 5.529 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 516398413 IPMGNLREYBEMOV-UHFFFAOYSA-N 476.548 5.864 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCCCC[C@H]3c3ccncc3)cc2Cl)cc1 516431231 PHIFRHQTEHSLNF-QHCPKHFHSA-N 474.948 5.481 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c3ccccc3)cc2Cl)cc1 517296156 GBCVGJYAHTXOHB-HXUWFJFHSA-N 487.865 5.752 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2ccc(Cl)cc2)no1 519431930 WZMDRKZAQCZYGW-OAHLLOKOSA-N 458.008 6.119 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)c(C)c1[N+](=O)[O-] 520609378 OQANZAXFZAAPPB-UHFFFAOYSA-N 467.485 5.373 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)cc1Cl 520671267 CCKDBYLAMFOABQ-OAQYLSRUSA-N 486.786 5.600 30 20 JKED N#C[C@H](NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1ccc(OCc2ccccc2)cc1 521500244 FITVFZGRYSNABL-MHZLTWQESA-N 467.569 5.067 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 521733546 IKZKWFMLMMSNAO-PKOBYXMFSA-N 471.648 5.062 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)c2cccs2)cc1 522449690 JNRFUQLKTXZDLR-HXUWFJFHSA-N 463.559 5.263 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524392295 ABFXSZACZQVOQO-MRXNPFEDSA-N 479.989 5.868 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2)cs1 524457354 DWIIZLAOGRWKSV-UHFFFAOYSA-N 473.529 5.873 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(COCc3ccco3)c2)c1 566025595 CTWRYMZOTUKUDG-UHFFFAOYSA-N 497.576 5.851 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1cccc(-c2nc(C)cs2)c1 588320635 WCFFZHQQTLIXRD-UHFFFAOYSA-N 488.382 5.173 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@@H]2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 588704427 VVLBKTYIVOAMBC-RBBKRZOGSA-N 456.011 5.332 30 20 JKED Cc1sc(NC(=O)COc2c(I)cc(Cl)c3cccnc23)c(C#N)c1C 594779170 YNLLKVXIZQDJGC-UHFFFAOYSA-N 497.745 5.060 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 603701212 AGSKAFOSNVTORH-CYBMUJFWSA-N 487.318 5.316 30 20 JKED N#Cc1c(NC(=O)c2cccnc2Oc2cccc(Br)c2)sc2c1CCCC2 603727591 AICBFUWKTBHJBX-UHFFFAOYSA-N 454.349 5.701 30 20 JKED CN(C(=O)c1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1)c1ccccc1 603991735 ZQADUOFZAKEZCZ-UHFFFAOYSA-N 451.482 5.259 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Cl)c(Cl)c1 604507231 XERNTJZITWDVRB-NRFANRHFSA-N 483.355 5.648 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN(C)C[C@H]3CCCO[C@@H]3c3ccccc3)c2C#N)C1 604521203 BXNJUWAJCJMVKX-RQBNJVACSA-N 451.636 5.173 30 20 JKED COc1ccc2c(c1)c(C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)c(C)n2C1CCCCC1 608950936 IICWYRZJJWZJFO-UHFFFAOYSA-N 471.605 5.129 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 609061234 XEMYDLXTWCEUDS-UHFFFAOYSA-N 471.557 5.813 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 609403566 HUCODDAXMABTHQ-MOPGFXCFSA-N 475.536 5.492 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)c1ccccc1 609421227 DNHFIYNLFQNYLN-UHFFFAOYSA-N 482.515 5.832 30 20 JKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 622485073 CZUZTIKAVWHVRI-KRWDZBQOSA-N 499.377 5.755 30 20 JKED C=CCn1c(S[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccc(F)cc1 639430447 JNMYBLZMRAQPGK-IFMALSPDSA-N 466.582 5.027 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 726396229 DDPZPLNIVMWPCK-AUUYWEPGSA-N 497.514 5.230 30 20 JKED O=C(C[C@@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 726398611 CYNOJPVMUWJSCP-CJFDVPSFSA-N 498.530 5.129 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCCC3)C2=O)cc1 726403844 OBLRFQMJQCTRHQ-JOCHJYFZSA-N 496.036 5.181 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)cc1F 726413500 YCHZGHXKMDILNK-NYHFZMIOSA-N 499.539 5.158 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S/C2=N\[C@H](C)c2cccs2)n1 726422187 VJCGFKSVOTVSIJ-MFQQMFPTSA-N 494.642 5.050 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H](OC2CCCC2)c2ccccc2)n(Cc2ccccc2)c1C 727018205 SQKIOLIIHREVJX-HHHXNRCGSA-N 485.584 5.207 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cc(C)ccc2F)c1C 727251801 HHDVOLYCEDIXKE-HSZRJFAPSA-N 493.608 5.128 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 727589120 JMSCNZGJTQJRJU-SANMLTNESA-N 452.558 5.077 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)c1C 727918195 JTWRMANEJSMLQF-UHFFFAOYSA-N 486.528 5.327 30 20 JKED N#Cc1cccc(COc2ccc(N/C=C3\C(=O)N(c4ccccn4)C(=O)c4ccccc43)cc2)c1 728016054 VHRHACUPWHJACC-ITYLOYPMSA-N 472.504 5.172 30 20 JKED CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728187684 ZVSVHWAJJYVSGG-UHFFFAOYSA-N 489.528 5.053 30 20 JKED CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCCC1 728193316 SBTBWUBRFQULPV-UHFFFAOYSA-N 453.514 5.052 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)COC)c1 728248094 FDXVFJBDBBUQHL-QFIPXVFZSA-N 496.636 5.459 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cn(-c2ccccc2)nn1)C(=O)c1ccccc1 728698400 JEPFHZBPDGDFIH-XIEYBQDHSA-N 450.542 5.297 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1 728777917 NDNRQRQIDMXNEU-QFIPXVFZSA-N 499.036 5.781 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N 728779435 ZXBNHJBRQPPDRJ-FQEVSTJZSA-N 454.983 5.303 30 20 JKED C=CCn1c(-c2ccco2)nn(CN(C)[C@H]2CCSc3ccc(Br)cc32)c1=S 728908733 IZVHIBWKWOAEPG-INIZCTEOSA-N 477.453 5.749 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 730685562 AAWTZPMIARZOEX-SFHVURJKSA-N 456.424 5.059 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 730691762 MENBWAJLYXIMIM-APWZRJJASA-N 495.651 5.223 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2cocn2)C1=O 730711185 ACYPPCUEOZLQJU-OAQYLSRUSA-N 498.992 5.114 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1cccnc1 730944171 RTJHJXNBEUXJJV-HJPURHCSSA-N 494.567 5.644 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCOCC2CC2)C1=O)Nc1ccccc1F 730944961 JIKYBBNCOVESPK-DEOSSOPVSA-N 491.588 5.366 30 20 JKED COc1ccc2cc(/C=C/C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2c1 731070836 UGUXSJHGGVDFBJ-RXNMKEHESA-N 460.555 5.438 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 731080372 LOUIKGHYUFYHBX-MRXNPFEDSA-N 478.574 5.224 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 731081194 ZHENKGSJTSHICK-FVQBIDKESA-N 463.386 5.673 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 744806946 DBJKEUOZGPYEOX-UHFFFAOYSA-N 463.519 5.320 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cscn3)C2=O)cc1Cl 747600559 BRXOCLSJADKLPM-HXUWFJFHSA-N 496.017 5.137 30 20 JKED N#C[C@H](C(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1)c1nc(-c2ccccc2)cs1 842222304 HEFISIMHAUZWEQ-JOCHJYFZSA-N 496.617 6.283 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)nnc1-c1ccco1 904530788 VWMDKUHNJAEIHJ-UHFFFAOYSA-N 487.589 5.318 30 20 JKED O=C(Cn1c(SC(F)F)nc2ccccc21)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 914767257 ZMFQCLWNAGXGDI-UWVGGRQHSA-N 475.405 5.377 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086010 GRYDPLVLECPKNA-JOCHJYFZSA-N 475.379 6.454 30 20 JKED COc1ccc([C@@H](CC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)NC(C)=O)cc1 915102899 KIRLMGCPAPJVPQ-VPCLMVEESA-N 477.630 5.063 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1Cl 916213463 DHRKJKIAXIVJPW-IBGZPJMESA-N 480.417 5.217 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(OCC)cc1 916214883 QCHDXMJQRDYWSR-LJQANCHMSA-N 490.969 5.017 30 20 JKED COc1cc(C(=O)Nc2cccc(OCC#N)c2)ccc1OCc1ccc(Cl)cc1Cl 916410652 ADBRRHDESXNRMG-UHFFFAOYSA-N 457.313 5.736 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccc(SC(F)F)cc1 916887366 NLRJFCCWCPMWAR-FQEVSTJZSA-N 456.514 5.191 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 916906863 KJDMBBMWJJSMDP-RUZDIDTESA-N 492.579 5.634 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 916907311 LTZSXSUYSVXFHM-IBGZPJMESA-N 494.016 6.048 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn(Cc2ccccc2Cl)c1 916909720 QOOXBJAYBIIJHO-OAQYLSRUSA-N 470.916 5.338 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928911 YLPIHQWNBOBVMH-HNNXBMFYSA-N 478.332 5.438 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1Cl 916939923 VHNDFCQZCOLFPO-HNNXBMFYSA-N 460.342 5.016 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945062 RGSMBXLVRCRPDC-KRWDZBQOSA-N 464.761 5.660 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916945196 RZUQROAFXLPZKJ-FQEVSTJZSA-N 472.328 5.067 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(-c3ccccc3C)n2CC)cc1 916955239 NRRFLPRGDVRUTL-VGOFRKELSA-N 475.618 5.227 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976354 CAVCJTRVOGXMMY-GOSISDBHSA-N 480.018 5.575 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976978 YULFMVSQMTUWQH-FZKQIMNGSA-N 473.982 5.539 30 20 JKED CS(=O)(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1Cl 916997113 QYXAYZSWYANKMR-ZDUSSCGKSA-N 485.801 5.664 30 20 JKED CCCCCCn1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc2c1=O 917042066 BBPLWIWIHCZPDL-GOSISDBHSA-N 498.530 6.095 30 20 JKED Cc1sc(=O)n(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1-c1ccc(F)cc1 917043550 LPJJFAAQYUCXSA-HNNXBMFYSA-N 491.491 5.529 30 20 JKED Cc1sc(=O)n(CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1-c1ccc(F)cc1 917046979 NYXQHCDROGNSRI-HNNXBMFYSA-N 457.939 5.164 30 20 JKED COc1ccc(-c2nc(SCC(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)nc(O)c2C#N)cc1 917201432 OTGMJKINDPPRPK-UHFFFAOYSA-N 488.613 5.136 30 20 JKED COCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1OC 917560320 LWPSYNJCRQWFHN-FLIBITNWSA-N 466.559 5.066 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccc(C)n2)C1=O 917678751 HAKZBNCFXCCPKP-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 917877229 YAFUEBZTPQMQKI-UHFFFAOYSA-N 487.940 5.082 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 918291014 QSKBRHAKQNSIHE-SANMLTNESA-N 453.517 5.126 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)n(Cc2ccc(F)cc2)c1C 919374157 STMNHJFCBQVVDE-UHFFFAOYSA-N 493.583 5.034 30 20 JKED N#C[C@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2s1 920324405 LGLRXGSOXNYWKD-ILCSZCEKSA-N 483.637 5.416 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cccc2c1=O 920806953 UKHRBNMYOBWMGY-IBGZPJMESA-N 498.510 6.660 30 20 JKED CCOc1ccc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)cc1OCC 920984996 KZZUQTKRMLTVAI-UHFFFAOYSA-N 454.596 5.123 30 20 JKED C=C(Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1690322537 IILQRCPSBGZZRX-HXUWFJFHSA-N 451.615 5.000 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)C1 1783038642 NCJKWPQCSPILIA-IGKIAQTJSA-N 485.068 5.140 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c[nH]c5nccc-5c4n3C)CCC2)cc1 1786103352 RONQPYWYAUKZKL-UHFFFAOYSA-N 481.600 5.522 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)c(F)c3)CCC2)cc1 1786369125 RICRMLNZODGQIL-UHFFFAOYSA-N 480.580 5.345 30 20 JKED Cc1cccnc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1786797366 PWOOVVKCNPUTAV-UHFFFAOYSA-N 496.611 5.429 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(ccc6ncccc65)s4)CCC3)cc2)CC1 1787881490 OAMMWTIXVKILTJ-UHFFFAOYSA-N 466.566 5.501 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1789024081 OAVOBHYKVMDHAK-UHFFFAOYSA-N 465.509 5.380 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)CCC2)cc1 1789453662 DTNZIUWNUKRBDJ-ZTCOLXNVSA-N 495.664 5.392 30 20 JKED COc1nccc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c1F 1789508962 YDGADKBIOKYRFV-UHFFFAOYSA-N 481.644 5.028 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CCC1 1789771324 UIPJFDRXQVNRSC-HXUWFJFHSA-N 455.605 5.105 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccncc4-c4ccccc4)cc3)CCC2)c1 1789934962 WXYLTGKFDDBFNM-UHFFFAOYSA-N 461.525 5.010 30 20 JKED CCSc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1790210196 WFFWTCKTRPCXJK-LJQANCHMSA-N 484.625 5.882 30 20 JKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)ccc2n1 1790257305 TWFUVFMDHHMPJG-UHFFFAOYSA-N 460.537 5.476 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1N(C)C 1790455886 QJJSWMLEWDIDKY-FQEVSTJZSA-N 496.611 5.450 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3CCC4(CC3)OCCO4)cc2)CCC1 1791168017 KAZYWZLWYRBLBI-UHFFFAOYSA-N 454.611 5.046 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C(F)(F)CC=C)cc2)CCC1)NC(=O)OC(C)(C)C 1791302329 GIGVOOVEBTVWFG-HXUWFJFHSA-N 491.579 5.191 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1 1796503453 LWFXAMXRAZKWSG-BJESRGMDSA-N 497.561 5.788 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cccc3s2)c1 1797649050 VUPKSPNGXYZYHI-ACDBMABISA-N 478.017 5.311 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Cc1cccc(Br)c1)C2 1798337978 ZPYIXZQGHDLGQQ-PHNZBSFLSA-N 473.455 5.034 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2)c1ccccc1 1798555559 XZVONDVRCRAMJF-UEQSERJNSA-N 460.618 5.335 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C2)c1ccccc1 1798555605 ZZRSRBIHEGNZQN-WOZUAGRISA-N 472.507 5.056 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799147661 NTBYMGJJJBLEKQ-REPLKXPHSA-N 465.644 5.067 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cc4ccc(F)cc4)cc2)C3)cc1 1800543134 IUKWUPCUFSEKRY-OUOZDZGXSA-N 481.571 5.048 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)c1 1802230164 OFNLNSBCHFSQAQ-ZFWPHHPHSA-N 495.545 5.316 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c1Cl 1808530426 OULSLXFNWRCRLQ-XSWZMKEHSA-N 477.008 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1809276156 CLIJXBYSZZXSTJ-NVQXNPDNSA-N 470.617 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1810492114 JFAXINLELMLDQR-CUBQBAPOSA-N 485.628 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1810500577 SVLRRVWLXUNTPZ-OZXSUGGESA-N 455.602 5.547 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c1Cl 1811419559 ICDULUOTUXLHSF-ZEQKJWHPSA-N 484.987 5.117 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(Cl)cc3F)[C@H]2c2cccnc2)c1 1813973859 YTTBFMBJQDMCBP-FDDCHVKYSA-N 497.357 5.033 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)[nH]n2)C1 1814393433 LJKHHZPMOYSUAY-OAQYLSRUSA-N 498.509 5.091 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)[nH]n2)cc1 1814499016 LMFBWWSRCXPXTQ-XMMPIXPASA-N 498.974 5.032 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC(=O)Nc2ccccc2)n[nH]1 1814840523 NQQBIISQLFIXDO-JOCHJYFZSA-N 479.625 5.203 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1 1815462538 CDNNUXDXASCUHF-GGKOYUFUSA-N 499.656 5.008 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1 1815462540 CDNNUXDXASCUHF-WBPGVZHSSA-N 499.656 5.008 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCC(C(F)(F)F)CC3)n[nH]2)c1 1815524926 FPYISQIZSMVQLQ-XTXLOEGASA-N 487.526 5.264 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815587655 LIJMTPKAYMVNDY-ZCYQVOJMSA-N 491.680 5.306 30 20 JKED Cc1c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)CC3)oc2ccccc12 1818215892 DYMCGMMPBBJWDH-DNVCBOLYSA-N 484.581 5.364 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)oc2ccccc12 1818567562 WLYBGXSXHGMEDT-QHCPKHFHSA-N 481.556 5.275 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1818799284 HETJTEXFQRLBOX-OAQYLSRUSA-N 494.020 5.341 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)[nH]n1 1819305563 VVDFRNXXWIOYTL-RXVVDRJESA-N 474.527 5.432 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1819308230 YHVUYNZIVJTEGY-URXFXBBRSA-N 487.579 5.685 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[nH]n1 1819311180 OWTFJRQIBOOZGO-SOAMZJECSA-N 466.548 5.539 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1819386937 PRUBIEFKTYHOLA-QFIPXVFZSA-N 476.653 5.513 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1819491019 JMHVAVRWOZBUOX-OOPWQZCMSA-N 480.685 5.458 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)cnc2C)[nH]n1 1819552904 JRGCFYARYRIUJH-IBGZPJMESA-N 488.430 5.174 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccccc4)no3)n[nH]2)c1 1819799582 LVSXSZZCCBGAFI-KOSHJBKYSA-N 494.555 5.311 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093620 NBNMWRJWWJHCOM-IBGZPJMESA-N 472.574 5.028 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(OC)cc3)CCC2)n[nH]1 1820848568 BSXQOSSHSAPQNJ-VWNXMTODSA-N 476.621 5.301 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n[nH]1 1821083555 PPSXHFWRGDLODR-SCLBCKFNSA-N 452.452 5.086 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2CCCCO2)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821150994 QDCVSRMYMUOPRB-BDYUSTAISA-N 496.611 5.075 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(-c5ccccc5)n5ccccc45)sc3C2)C1 1821157000 QIHCIWWPLGHTLY-FQEVSTJZSA-N 482.609 5.255 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1822579881 MDFQEZZBCYKUQO-OAQYLSRUSA-N 479.968 5.218 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)c3cccs3)n[nH]2)cc1C#N 1822708446 JXTJODNDFDTJBQ-UWJYYQICSA-N 491.617 5.240 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)[nH]n2)c1 1823216724 AALXRBDMCRZADF-XOBRGWDASA-N 497.386 5.358 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(F)c1 1823218719 VDUBVVMENOGIAT-UZUQRXQVSA-N 459.525 5.104 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2OC)n[nH]1 1823253993 ZSHLDCVHCKEZDT-FQEVSTJZSA-N 456.974 5.146 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)cc1 1823682888 MBIRZUMHSLRCNQ-QFIPXVFZSA-N 499.442 5.126 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 1823753995 UXJNUBHVWFQEEP-NRFANRHFSA-N 469.651 5.629 30 20 JKED COc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)cc2ccccc2c1Cl 1823885254 LVBCKKPVEHONEH-QFIPXVFZSA-N 482.024 5.285 30 20 JKED O=C(c1ccc(Oc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824413635 SDPPMFQVYGCZBZ-HHHXNRCGSA-N 456.586 5.126 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1824544720 NXZIHKBQGJALKS-VQTJNVASSA-N 474.564 5.032 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1824861972 PYJVGXSMYVUBPC-MDZVADFISA-N 490.619 5.220 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1825598287 DBGJFPNEIWGRIO-SANMLTNESA-N 496.602 5.357 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 1826422456 IAKSCDHVVQJKKQ-PMWMKWCKSA-N 456.696 5.355 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1826690434 YTXIHUPQEITAHO-NDEPHWFRSA-N 480.612 5.439 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330759 YTLJBSSESOKZKV-WXVAWEFUSA-N 490.648 5.091 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)CC1 1827515374 LOXAATNSNDUZIZ-ZCYQVOJMSA-N 464.650 5.402 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681673 PHCHBYWNESPBQR-VIOKTNGOSA-N 456.652 5.099 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827683848 LTPGPFZTGRLOFM-BYUVYSIJSA-N 478.658 5.544 30 20 JKED C[C@H](Sc1cccs1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc([C@H](C)C#N)c3)sc2C1 1827697711 QIAKROZKIASTFI-VKJFTORMSA-N 496.683 5.238 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1827728839 IAMZUVWXPRAMKF-SQHAQQRYSA-N 490.648 5.087 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(C)(C)C)c2)CC1 1828821894 UHSIOUDVTNYDMC-DNQXCXABSA-N 451.655 5.381 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 1828829911 JYDXUEOHQBISMT-ZNZIZOMTSA-N 486.100 5.331 30 20 JKED O=C(c1ccccc1Oc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828997783 RBZXGHARVWMKSQ-ZBCBXWAGSA-N 499.611 5.424 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)nc3ccccn23)CC1)c1ccccc1 1829033262 UYXNXCGGADBOPA-SXOMAYOGSA-N 496.655 5.073 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)c1Cl 1829692615 LQGJBCXMWFWSMJ-ZCYQVOJMSA-N 476.020 5.175 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1829701045 DSTLQZVZHMSIOS-XMMPIXPASA-N 475.976 5.505 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829757072 TUHAWKYKYXAXAX-HOYKHHGWSA-N 469.029 5.176 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830049240 GUIWMUBCLGFVAN-XMMPIXPASA-N 483.534 5.053 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1 1830627536 YTZCNAYYYVHWPP-MUUNZHRXSA-N 495.623 5.218 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1830631831 PTHLQKQEDIUIRY-RUZDIDTESA-N 490.003 5.699 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 1830632465 NDUUCUCWJCAHOE-DEOSSOPVSA-N 499.533 5.198 30 20 JKED C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830633053 BYEXMEPRLZRXHJ-WXVAWEFUSA-N 457.618 5.180 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccn4c3)CC2)c(Cl)c1 1830721806 WXPBOIZHSCFRJI-QFIPXVFZSA-N 481.021 5.073 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c(Cl)c1 1830721970 WORIUJRATVPTMB-RUZDIDTESA-N 492.982 5.379 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)ccc2[nH]1 1831037094 FTTYXVTWMSGZGP-PIIWDFAUSA-N 482.628 5.651 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cc(Cl)ccc3Cl)CC2)CCC1 1831240080 PWGKXDSSRHVMJF-QFIPXVFZSA-N 476.448 5.240 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C(F)(F)F 1831453425 VGQLEWLDHNEWLC-SFHVURJKSA-N 462.434 5.057 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1832025955 GWYZHHADKOYMPD-AREMUKBSSA-N 460.618 5.032 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1832092280 NMKTYDSQWOFTLP-ZEQRLZLVSA-N 491.598 5.421 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3O)CC2)c1 1832634166 PBBXNRUJWFRHOZ-CLOONOSVSA-N 485.584 5.313 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832635894 XXBYELBEYIBCDY-SBUREZEXSA-N 499.989 5.792 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c(Cl)c1 1832658637 IGETUKYWFRHMNS-SANMLTNESA-N 494.035 5.086 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCCCC2)CC1)NC(=O)OC(C)(C)C 1832754220 WXCJJMWVSUDQHM-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c1Cl 1844735083 ARVKGHGOTXDNDV-UHFFFAOYSA-N 480.351 5.256 30 20 JKED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845546538 VWRVNSAMQGJYKQ-NRFANRHFSA-N 470.569 5.040 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccccc3)cc1)C2)c1ccc(O)cc1 1846414518 AAHNJUGSFSRJSZ-VWLOTQADSA-N 494.591 5.199 30 20 JKED C=CCn1c(SCC(=O)NCc2ccccc2OC(F)F)nnc1-c1ccc(Cl)cc1Cl 10114521 RJRVLIAMYHXGFA-UHFFFAOYSA-N 499.370 5.448 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 10174673 ZFMRUSPHDJJCSP-UHFFFAOYSA-O 487.595 6.456 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)s1 10761979 GAHZPZDIAGJTAM-UHFFFAOYSA-O 474.046 6.375 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 11158623 ZKHQNDYTDPFVKN-UHFFFAOYSA-O 492.451 6.923 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1cccc(OC)c1 11259291 LGNCLTJJJPCMAB-UHFFFAOYSA-O 470.412 5.359 30 20 JKED Cc1ccc(/C=C/c2nc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n[nH]2)o1 12843479 OFCQGTISWASGIK-PLSXKVAHSA-N 453.593 5.198 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(F)cc1 14081616 NOOUYHQOYRMELE-UHFFFAOYSA-N 451.552 5.125 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 15248198 HZAAOFLIXVWDPV-UHFFFAOYSA-O 489.539 5.885 30 20 JKED C=CCN(C(=O)c1oc2ccccc2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 21838456 KCYUIIQOVYGTTD-UHFFFAOYSA-N 452.557 5.101 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2CC)cc1 22695242 CMPNKSKDZXHKEO-UHFFFAOYSA-O 474.433 6.293 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)cc2F)cc1 22727137 MFIGHACSLUNREU-UHFFFAOYSA-O 461.504 5.879 30 20 JKED CC(C)c1ccccc1-n1c(SCCC(=O)Nc2cccc(C#N)c2)nnc1-c1cccnc1 26366467 FGRNIDIGISWFAF-UHFFFAOYSA-N 468.586 5.445 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1/C(O)=N/c1nc(-c2ccccc2Br)n[nH]1 28903214 FBGPDSVZZJTGBC-UHFFFAOYSA-N 458.316 5.442 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 69505120 VPWKWKLQECEPOF-RUZDIDTESA-N 493.654 5.163 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 107831741 YTJNRAWDZSZBML-UHFFFAOYSA-N 497.439 5.020 30 20 JKED Cc1nc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)sc1SCC#N 108160497 JXUMJPZLXAXDBE-UHFFFAOYSA-N 450.520 5.781 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 195611420 HNVOVSMUZCKCCR-UHFFFAOYSA-N 479.565 6.074 30 20 JKED O=C1CCc2cc(C(=O)/C=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)ccc2N1 215072473 RDLZUDZHYBYZLJ-YWEYNIOJSA-N 467.275 5.398 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1cccnc1 302976776 UETHWZPDRUZPIE-SFHVURJKSA-N 461.513 5.300 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)c1 303133949 CKRKVPLENFUOCG-UHFFFAOYSA-N 459.575 5.241 30 20 JKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481087558 SUALXLUCOOFVIW-INIZCTEOSA-N 465.912 5.088 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)cc2F)c1 481664177 XXZBALKVXURHNI-OAQYLSRUSA-N 457.427 6.092 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CSc2ccc(C(F)(F)F)cn2)cc1 487992643 LEFRIQKOALCQCU-UHFFFAOYSA-N 459.468 5.432 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 490649301 NTYMDJMAJKCDTP-QHCPKHFHSA-N 477.973 5.427 30 20 JKED N#Cc1ccccc1OCCSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 497677199 DEOCYGFXDOBYQF-UHFFFAOYSA-N 478.375 5.135 30 20 JKED C=CCn1c(SCCCc2nc(-c3ccncc3)no2)nc2cc(-c3ccccc3)sc2c1=O 498074294 RWAZFYLUSIUQAM-UHFFFAOYSA-N 487.610 5.481 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 498525785 SUIOLRNEIDXOQY-CQSZACIVSA-N 478.952 5.355 30 20 JKED C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 500587966 GWVFVXZHZKMENM-GFCCVEGCSA-N 475.364 5.246 30 20 JKED N#C[C@H](NC(=O)CCc1cc(Br)cs1)c1ccc(OCc2ccccc2)cc1 500647709 IDWZODNRGLHKFV-NRFANRHFSA-N 455.377 5.403 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1 506015872 ZGDQAKUCDMOVEW-XDHUDOTRSA-N 487.991 6.162 30 20 JKED C=CCOc1ccccc1CN(C(=O)CCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2 507071409 MWPDFOGBXQEQDF-UHFFFAOYSA-N 497.551 5.239 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509894881 CMOHJDBBSSZTSV-UHFFFAOYSA-N 497.382 5.741 30 20 JKED C[C@@H](c1ccccc1)n1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccccc1 510216952 KWWBYUFMWIDCMP-RBUKOAKNSA-N 453.571 5.545 30 20 JKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510234370 ANFKYDFGMUFIOT-UHFFFAOYSA-N 479.509 5.265 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 511565407 SFBYCXPKTBVRCS-IGKIAQTJSA-N 487.556 5.327 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 511568711 XMGSLRJTLUQFBG-UHFFFAOYSA-N 475.570 5.086 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1 511574880 LNYUDELBTVZSNZ-UHFFFAOYSA-N 471.607 6.969 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 512150994 XNRASMLYHIYTAK-UHFFFAOYSA-N 490.361 5.344 30 20 JKED Cc1nc2ccccc2n1CCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 514173896 ZKICRJAJDKEUQB-UHFFFAOYSA-N 455.537 5.158 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 517419133 UZGNYXOEYVKJST-UHFFFAOYSA-N 456.489 5.678 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1cccc(Cl)c1Cl 517468101 ISTWOSLFGSWJLW-UHFFFAOYSA-N 476.307 5.273 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1csc2ccccc12 517833917 SEJYMQGPNUNYQE-UHFFFAOYSA-N 455.539 5.471 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 518014325 TXWGJQOLGIJILG-OAHLLOKOSA-N 450.882 5.660 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 518756012 VKHPTBDGEZWJCR-IVZQSRNASA-N 469.010 5.714 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)cc2Cl)c1 520605329 SRKROWLBGPYYJW-UHFFFAOYSA-N 487.943 6.324 30 20 JKED N#C[C@@H](NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3)c1cccc(Cl)c1Cl 520888087 FJYRTHTYUSGODK-CQSZACIVSA-N 493.441 5.197 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N 521797972 XAVMURAFIYDTBU-SJORKVTESA-N 462.662 5.384 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1)c1ccccc1 521810543 UCGSOMDVUPERHN-HHHXNRCGSA-N 482.584 5.657 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)s1 521812755 GQENWMRLTAHIDP-QGZVFWFLSA-N 453.589 5.211 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(Oc3cccnc3)c(F)c2)cc1OC 521830568 JYYIVQDAVMWHEG-UHFFFAOYSA-N 473.342 5.639 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 523879909 IQTCNCNYYQSQJB-QHCPKHFHSA-N 460.528 5.075 30 20 JKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)C1 553962309 KXZVAYXYKOXIPQ-KNQAVFIVSA-N 489.576 5.256 30 20 JKED CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#Cc2ccccn2)c1 603262909 MUXAFMKYUUXEJV-HSZRJFAPSA-N 498.435 5.278 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)cn2)c1 603622842 HMKKWPNFASQYCE-OAQYLSRUSA-N 481.339 5.296 30 20 JKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1NC(=O)c1ccc(Br)cc1 603640389 FHMKDIAPLHQDFU-NRFANRHFSA-N 466.310 5.144 30 20 JKED N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 603698180 XPMIHOQZWSNLGS-AREMUKBSSA-N 484.559 5.593 30 20 JKED Cc1ccc(C[C@@H](C#N)Sc2nccn2-c2ccc(C(=O)NCc3cccs3)cc2)cc1 603725872 HIYFFCSKUONGRJ-QHCPKHFHSA-N 458.612 5.399 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)s2)cc1OC 603764726 PBVFKRHFKQWPMX-UHFFFAOYSA-N 472.526 5.447 30 20 JKED COc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1F 603983432 LJOYLPKQDRBTOA-UHFFFAOYSA-N 494.331 5.066 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 604003650 KJZGXMSCOCLRPX-FCHUYYIVSA-N 450.460 6.093 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1Cl 604134765 ATYMAYREMXAYPR-ISKFKSNPSA-N 478.379 5.855 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1C 608878686 LRTOKIOSXLEWAQ-JOCHJYFZSA-N 483.616 5.656 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)c1 609012070 BOFBTQHZVRPXEI-OAQYLSRUSA-N 459.468 5.080 30 20 JKED CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609079836 LWDLKMPAWKYMQC-UHFFFAOYSA-N 491.979 5.642 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)cc2Cl)c1 609079912 OBTRBKVHDHGTDS-XMMPIXPASA-N 460.965 6.335 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cc2ccccc2o1 609085252 LNGZKPRIMDIRCZ-INIZCTEOSA-N 473.916 5.353 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCCCC[C@H]3c3ccncc3)cc2Cl)c1 609088026 PCZRYLXURMTTLT-DEOSSOPVSA-N 488.975 5.268 30 20 JKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609124036 YHBQULNTWAZJPU-UHFFFAOYSA-N 460.509 5.337 30 20 JKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)c2ccc(C#N)cc2F)cc1 609217813 UJIPFOYZTNQCQA-HMMYKYKNSA-N 463.512 6.018 30 20 JKED COc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(Cl)c1 609371348 VLBOWKYHJJYFKV-UHFFFAOYSA-N 451.857 5.539 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 609377755 KVQMDBGIXMXSIF-KZNAEPCWSA-N 452.580 5.581 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nnn1-c1ccc(F)c(Cl)c1 609407706 HEXIVVVJUWAWIX-UHFFFAOYSA-N 479.874 5.210 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 615497509 LZKHTODVKVTCLB-WOJBJXKFSA-N 495.620 5.336 30 20 JKED C=CCc1cc(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC 622755667 PKWYFINHCOSVEL-UHFFFAOYSA-N 476.520 5.434 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccccc1OC 639429467 NUZVHHZWSVZTLM-QFIPXVFZSA-N 464.591 5.098 30 20 JKED O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)c(C(F)(F)F)c1 642193518 PJAKQAHCZYWEGQ-BRPSZJMVSA-N 477.776 5.547 30 20 JKED C=CCn1c(Sc2nc(C)nc3sc(C)c(C)c23)nnc1[C@H]1COc2ccccc2O1 669672291 IGNJJJVTDSWFQK-QGZVFWFLSA-N 451.577 5.058 30 20 JKED CC(=O)N(CCC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)Cc1ccccc1 726321182 CERZGYMEEDCDBI-SQGNYKRJSA-N 461.631 5.226 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2cccs2)cc1Cl 726407649 ULJLOGCHUSNNLK-OAQYLSRUSA-N 495.029 5.476 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(C3CCCC3)C2=O)cc1 726422703 YICJZWUMGVOTAR-QQDOTYKZSA-N 469.632 5.283 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 726481126 XNMCYTSDPVWRFI-UHFFFAOYSA-N 488.922 6.600 30 20 JKED CC(C)C[C@@H](C#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 726559535 JXLVNLHAWDAXCB-SFHVURJKSA-N 454.646 5.624 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)c3cccc(Br)c3)n2)cc1 726731421 BKIASPSVMIOXHB-SFHVURJKSA-N 455.377 5.735 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC(F)(F)F)cc1Cl 726892408 UPEWUEQNRHGIGC-MRXNPFEDSA-N 489.878 5.010 30 20 JKED CCOc1cc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 727267480 VJTZBEAPNZQUAN-MNTXUITRSA-N 476.598 5.277 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@H]1c1ccccc1C(F)(F)F 728116733 QFTNYNWWYNAGNC-HNNXBMFYSA-N 466.353 6.277 30 20 JKED Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1cc2ccccc2nc1N1CCOCC1 728441200 GSTKDENSYCYLOW-KHPPLWFESA-N 459.546 5.539 30 20 JKED COc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1 728669736 UNSQNJMQBJKEOD-UHFFFAOYSA-N 499.548 5.354 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(CCCCC#N)C2=O)cc1 728777114 IQZRDDZXQIXAGP-JOCHJYFZSA-N 497.020 5.505 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCCCC#N)c1 728778952 WAROYQDLAFNMAA-LJQANCHMSA-N 489.428 5.956 30 20 JKED COc1ccc(-c2nn(CN(C)[C@@H](C)CC#N)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 728902841 XSNOZJRJJUCXGG-HNNXBMFYSA-N 461.513 5.289 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3scnc3C)C2=O)cc1 729144771 FOUMOLKZXZRMIP-HXUWFJFHSA-N 498.605 5.150 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 729578949 CEARWVPVRYFELI-UHFFFAOYSA-N 466.538 5.503 30 20 JKED CC(C)c1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 730583372 FDFIEHPPWSSWOJ-UHFFFAOYSA-N 466.350 5.366 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 730664604 UAORCSQIBNUDPO-QFIPXVFZSA-N 483.012 5.859 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1ccc2[nH]c(C)c(C)c2c1 730708227 BSPZSLSJELCUFI-QHCPKHFHSA-N 498.612 5.044 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cocn1 730709215 PUTVUNGYDFJVGL-QHCPKHFHSA-N 470.554 5.297 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 730942926 ZJCNJCNWDWAHKO-BTYIYWSLSA-N 466.513 5.081 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(-n2cccc2)sc2c1CCSC2 731067841 JTJOLRVNCHACAV-MRXNPFEDSA-N 497.667 5.375 30 20 JKED N#C[C@H](C(=O)CCc1ccc(Br)cc1F)c1nc2cc(C(F)(F)F)ccc2s1 745313943 ZXXANTOPSICTLH-CYBMUJFWSA-N 471.273 6.026 30 20 JKED O=C1/C(=C/c2ccc(O)c(Cl)c2)CN(Cc2ccccn2)C/C1=C\c1ccc(O)c(Cl)c1 747317620 ZZMHHUIDDDQUTE-VNIJRHKQSA-N 467.352 5.352 30 20 JKED CC(C)n1ncc2c(C(=O)NC3CCN(c4ccccc4C#N)CC3)cc(-c3cccs3)nc21 747337879 WPVSDMWBPVSVLR-UHFFFAOYSA-N 470.602 5.011 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 748409066 GCAFDHGJPSAULK-AREMUKBSSA-N 486.549 5.026 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 750363635 ZYXHHSDNGDHPHR-UHFFFAOYSA-N 495.439 5.220 30 20 JKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 751165190 FCRTZHILGRRRCN-AZUAARDMSA-N 465.619 5.475 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(C)c(F)c2)C1=O 766897557 XOOJKNBGIBEPJG-HSZRJFAPSA-N 477.561 5.303 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)nc1C 899896768 PHCBIILYZBIJRL-UHFFFAOYSA-N 480.600 5.307 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(CCC(F)(F)F)no2)c1 904869370 UQOHHUYIXOOUDA-UHFFFAOYSA-N 471.888 5.266 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1 911525959 CLZODNVDUASKRZ-GYEYZBBESA-N 467.180 5.171 30 20 JKED COc1nn(C)c2nc(C)c(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c(C)c12 915104979 PZCQNMBIKQATMA-OAHLLOKOSA-N 487.507 5.031 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OC)c(F)c2)c1 915116507 IOJQSIIOEFBKLQ-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1nn(-c2ccc(F)cc2F)c(C)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 915956306 QXGMMMSFAWOVFI-UHFFFAOYSA-N 458.925 5.187 30 20 JKED Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916056803 INWDAAYPLQUYRF-IHQWOVMBSA-N 472.911 5.066 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CCc3ccccn3)C2=O)cc1 916205588 QLPBBKPCLMXWLI-JOCHJYFZSA-N 496.995 5.386 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(C3CCCC3)C2=O)cc1OC 916209142 FRGQAIHZSULVFJ-NRFANRHFSA-N 488.009 5.260 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(C[C@H]3CCCO3)C2=O)c1 916210683 HALPPNNZDPWEOH-CTNGQTDRSA-N 472.010 5.096 30 20 JKED COc1ccccc1Nc1nc(Cl)c(C=Nn2c(S)nnc2SCc2ccccc2)s1 916543606 UVHNYBDIGQAMIT-UHFFFAOYSA-N 489.051 5.603 30 20 JKED O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 916667490 DJANWJAERFQWNY-UHFFFAOYSA-N 479.396 5.146 30 20 JKED CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 916684017 SAHQPMKKCPMTBQ-HXUWFJFHSA-N 454.958 5.080 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 916884757 FXJMDBRLXIDBBF-GOSISDBHSA-N 483.311 5.475 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1 916898856 IWXWXUXJHCWWGF-CRAIPNDOSA-N 488.594 5.033 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)s2)o1 916904956 GOKJMNFVBOZKRJ-GOSISDBHSA-N 457.511 5.773 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944623 JIHUWYKKNMVORS-QGZVFWFLSA-N 478.332 5.438 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975781 FKMBWFAIFHUWSL-NHYWBVRUSA-N 479.758 6.009 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 917427795 LTTNMZMLBNERLO-OALUTQOASA-N 462.550 5.378 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 917508686 UJKWMYFVZUVKLE-GXTWGEPZSA-N 467.374 5.187 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc(C)c1C 917667821 JFJSSMMDNOGOQW-XMMPIXPASA-N 479.646 5.030 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccc2C)C1=O 917703115 LUTSFZMBCCGGGE-XMMPIXPASA-N 484.581 5.036 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)s1 917704097 SDJBAZVFTOKBGS-OAQYLSRUSA-N 460.584 5.089 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917875844 CSKIUSHIPVHCKX-UHFFFAOYSA-N 463.324 6.404 30 20 JKED FC(F)(F)c1ccc(-c2nc(C=Nn3c(S)nnc3[C@@H]3COc4ccccc4O3)cs2)cc1 918710192 GKFVYLNLTUMFHO-KRWDZBQOSA-N 489.504 5.104 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920107893 ICULVBCZHSFWPU-OAHLLOKOSA-N 481.311 5.455 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCSCc2cccc3ccccc23)cc1 920197397 MDXMCSPALAHBAR-HHHXNRCGSA-N 479.605 5.483 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 920675840 RUMAKBPNZLXQII-VIFPVBQESA-N 463.993 5.131 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 920870923 VOXUOVGZCNZBGJ-BFUOFWGJSA-N 498.407 5.375 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(C)c3ccccc23)C1 1783352623 MFANCXRNVQGGBC-GRKNLSHJSA-N 488.672 5.363 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccc(Br)cc34)CCC2)cc1 1785934841 DKMVTRPHUVOURX-UHFFFAOYSA-N 493.405 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3sc4nccnc4c3N)CCC2)cc1 1789626254 OWTKOEMAVQSRSE-UHFFFAOYSA-N 463.607 5.014 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)n5ccccc45)CCC3)cc2)c1 1790147471 XWTREWRLJADAIH-UHFFFAOYSA-N 499.574 5.868 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCCC4(F)F)CCC3)cc2)cc1 1790290429 YCCWKGRCXXLDEX-XMMPIXPASA-N 455.480 5.224 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)CCC3)cc2)ccc1F 1790520265 KYSANYVUVMVDHI-KWXIBIRDSA-N 497.595 5.262 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cc1 1790707401 JWYZIUAECIMFFI-UHFFFAOYSA-N 468.944 5.339 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OCC4CC4)c3)cc2)CCC1 1790740770 SDIYIARMCQJWPT-UHFFFAOYSA-N 492.616 5.215 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)C[C@@H]21 1790829306 ROWRZTBPVOAWDW-YQGMTELPSA-N 498.623 5.438 30 20 JKED CC(C)(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)cn1 1790833565 KAWQLROKWIXLKT-UHFFFAOYSA-N 492.583 5.189 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)CCCCCCCC(=O)OCc3ccccc3)cc2)CCC1 1791482209 FZMMRRUWAGWWCW-UHFFFAOYSA-N 489.616 5.508 30 20 JKED Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)cc1 1791570497 LYURHZBTZPWKGA-GCJKJVERSA-N 497.661 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc5c(c4)OCO5)CCC3)cc2)c1 1792122550 MCXJKQQXIKAALH-HXUWFJFHSA-N 495.579 5.423 30 20 JKED CSc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124760 HEPTUKJMYBIWQH-GOSISDBHSA-N 470.598 5.492 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ncsc5[nH]4)CCC3)cc2)c1 1792124800 IZSZWINLVXCKMS-INIZCTEOSA-N 469.570 5.313 30 20 JKED Cc1cc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)ccn1 1792169352 FUVQFYSOHJYYNJ-UHFFFAOYSA-N 496.611 5.429 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)CC(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204156 OJYIIRXXWWQVAW-OAQYLSRUSA-N 457.615 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C 1793201030 WEJUHRSEPMBZRN-BJESRGMDSA-N 489.701 5.091 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(-c2ccccc2)noc1C)c1ccccc1 1794956825 PTQFISYGPITRQL-QYOOZWMWSA-N 481.596 5.099 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc[nH]c2cc1Cl)c1ccccc1 1797611564 DEZZPPZPJPIIFL-KAOXLYBCSA-N 474.004 5.270 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)C1 1799883996 OCYWHELVNLRYQR-SHJGUWBNSA-N 489.635 5.642 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cncc2Cl)[C@H]1c1cccnc1 1802367472 ZIEMEZAYWMDYCW-LAUBAEHRSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1802495689 CXXOMKMQVOHSCV-RSXGOPAZSA-N 470.617 5.250 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)[C@@H]1c1cccnc1 1802501769 CAFCLWSUVVZNOD-AOYPEHQESA-N 475.633 5.182 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803556234 YZBGXMVIRSYMOS-NPAAKHOSSA-N 498.067 5.163 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1804175265 IQPRFEALNRYCMH-SQJMNOBHSA-N 498.092 5.172 30 20 JKED Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(C#N)cc2)C3)c2ccccc12 1804608748 CWONGBYDMAEXEI-LGKQTMLJSA-N 479.624 5.224 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)CC2)C1 1804866608 KGQNSICYXWEQFV-UHFFFAOYSA-N 490.570 5.419 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@H]1c1cccnc1 1806451227 DGNCCMXYGNYLNX-KXQRYBCWSA-N 459.634 5.111 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc(F)cc4F)C3)CC2)c1 1806470577 BQQRXXVHBFYNQF-FHVRUZERSA-N 477.555 5.150 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@@H]1c1cccnc1 1809618258 PAVROGQODSPZHU-CEISPFGFSA-N 463.666 5.462 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Cl)[C@H]1c1cccnc1)c1ccccc1 1810443391 HMWKTORJSJMGSO-DXBVXKBHSA-N 486.015 5.252 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@H]1c1cccnc1 1810499200 VFQFRRFDZRSIAW-KOSHJBKYSA-N 480.559 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cc3cccnc3cc2F)[C@@H]1c1cccnc1 1810505235 OGMDRWCEASEOLI-WXVAWEFUSA-N 488.607 5.010 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@@H]1c1cccnc1 1811274552 UVXHJLZFPSTRDW-NHZRIVAWSA-N 482.584 5.355 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1811749110 LTGKLZIJZIFRLC-BEVVLCPKSA-N 479.024 5.143 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4cc(F)ccc4s3)[C@@H]2c2cccnc2)c1 1811937669 RIWBMRJPFVEFLU-FQRUVTKNSA-N 498.583 5.249 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)c1 1811938141 ZZIHOUNOZGOBFB-DVECYGJZSA-N 486.622 5.171 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@@H]1c1cccnc1 1812219494 ZHRQFYKIKBULOK-JQXZYWDBSA-N 482.584 5.355 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@@H]1c1cccnc1 1812592819 UNMMYHCOVCFEBP-JKJMAWGESA-N 485.603 5.343 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1812673405 TWZJWHGTQKJJFH-ILBGXUMGSA-N 492.570 5.020 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1812953599 LJMCJGSUZGKUEC-AHKZPQOWSA-N 493.717 5.712 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)[C@H]1c1cccnc1 1813053735 XNKRBPASJHRRPB-LVXARBLLSA-N 490.003 5.020 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)[nH]n2)C1 1814396524 JSWBTZXNGFFDEX-CVDCTZTESA-N 492.023 5.623 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1815572738 QKIXIVZNUQBJBE-MRXNPFEDSA-N 494.411 5.606 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)oc2ccccc12 1818570995 ANCAHWSKCMNVHC-GAJHUEQPSA-N 481.556 5.711 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)[nH]n1)c1ccccc1 1819518468 RDZRSWSIDPPQMW-ZJSXRUAMSA-N 495.583 5.362 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(OC)cc2)[nH]n1 1819552614 RTVVZLYITCEXCQ-PGRDOPGGSA-N 452.599 5.207 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3sc(C)nc3c1)CC2 1819600361 ZPCCWPYDBLUXCW-IRXDYDNUSA-N 466.632 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cccs3)on2)n[nH]1 1819786261 VNPXQOAANOZOEV-LJQANCHMSA-N 465.579 5.201 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(Cl)n2)n[nH]1 1819969749 YZFCIOGRLHWFOL-QAPCUYQASA-N 462.381 5.186 30 20 JKED COc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)cc2ccccc2c1Cl 1820235456 JDLUBQOBALMBJD-IBGZPJMESA-N 479.968 5.081 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2OCc2ccccc2)n[nH]1 1820237599 POIUFYBVZSCOIN-KKSFZXQISA-N 499.036 5.266 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(Cl)cncc4s3)[nH]n2)c1 1820484239 SBNNGZXINBFNTQ-LJQANCHMSA-N 490.976 5.164 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCOc3ccc(Cl)cc3)[nH]n2)cc1 1820547046 LNMIQSSREGRVOM-HSZRJFAPSA-N 491.979 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)n[nH]1 1820841206 QQFYKHXXXRCTQO-GMAHTHKFSA-N 491.592 5.200 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1 1821180817 DPMJRXIMIQCXTB-VWLOTQADSA-N 469.589 5.148 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1Cl 1821280039 NPUGBGSSJOSLMU-HXUWFJFHSA-N 498.370 5.216 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1822055224 PQZKWVAPYMYYFE-NLFFAJNJSA-N 469.589 5.284 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@@H](C)S)n[nH]3)ccc21 1822384683 OWMOAZJKHPKANQ-MWTRTKDXSA-N 475.618 5.162 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4scnc4c3)[nH]n2)c1 1823214123 AIBKFTRQTWERML-ZHRRBRCNSA-N 484.585 5.266 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccncc34)[nH]n2)c1 1823216830 OTOGEUXRWKRZEM-CJAUYULYSA-N 478.556 5.205 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)CC1 1824041294 YJLGYBNYASPKEF-AHKZPQOWSA-N 461.650 5.109 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1Cl 1824056001 LYIPBMZYHAEHOY-VWLOTQADSA-N 494.035 5.086 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824249188 PCEURGTZJSSXSN-AMDXRBSFSA-N 490.088 5.500 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824841215 DYTPCQCCECLXMI-XMMPIXPASA-N 469.626 5.140 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1824936652 KILOYKNXUUYMHG-FIPFOOKPSA-N 471.645 5.407 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1824957849 CLJUQOMJDRBMAQ-FQEVSTJZSA-N 460.640 5.193 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c[nH]1 1825440244 ZUXTYQFJERUQRM-QFIPXVFZSA-N 481.040 5.384 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)cc1Cl 1826683005 GLKBVHGDSOZRFW-NRFANRHFSA-N 492.447 5.318 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](S)C(C)C)CC1 1827332396 PZDPGNUNBKITGX-RSXGOPAZSA-N 479.690 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3c(Cl)cccn23)CC1 1827371128 GZEBXYBUDZQGKW-OAQYLSRUSA-N 471.045 5.213 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)CC1 1827728671 BZCAEVTZESHTIQ-VWNXMTODSA-N 492.689 5.515 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828138552 WULNAFIAUXMVDI-AREMUKBSSA-N 463.622 5.178 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1828608846 PIURBSRMPRCFSA-QFIPXVFZSA-N 488.554 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(=O)Nc2ccccc2)CC1 1828824486 LXQKALOUMXMFPL-UIOOFZCWSA-N 479.665 5.184 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1F 1828903288 DZUKQQQNRGRPKW-XMMPIXPASA-N 486.704 5.119 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cnc2OCC)CC1 1829068993 CRRNRKZZBVKHPX-JOCHJYFZSA-N 476.061 5.359 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)ccn1 1829249307 MTAHWYIPVOYRFO-PMERELPUSA-N 491.635 5.337 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4occc4n3-c3ccccc3)CC2)CCC1 1829572800 GWKDQUFEGAMEPO-QHCPKHFHSA-N 484.600 5.151 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Cl)CC1)c1cccs1 1829894206 KBUXOVZWBCDNIF-RQWLHQTBSA-N 471.022 5.074 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1C 1830005713 SILFANJQXJIADU-YSESTWPTSA-N 464.631 5.037 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3F)CC2)c1Cl 1830082632 AVVCOSZVDUWPQX-OAQYLSRUSA-N 471.935 5.037 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1830628829 QBVRRQFMBQBVSG-MUUNZHRXSA-N 482.628 5.100 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830633096 DFZAIMVERNJUPT-MUUNZHRXSA-N 471.645 5.352 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)c(Cl)c1 1830720986 QZEPVFACVHYFSD-RPWUZVMVSA-N 467.972 5.156 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cn1 1830721105 XOMPMVHCWKXCCT-XMMPIXPASA-N 493.051 5.451 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)ccc2[nH]1 1831035584 UKVHXGUTVATQTG-GTCGAKFVSA-N 489.641 5.210 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1831374435 PVCNOJSXEOHZDY-VGSWGCGISA-N 461.528 5.023 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1831376366 PSUXQWUAJBJLMS-IIBYNOLFSA-N 454.508 5.290 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)S)CC2)c1 1831845024 IDHRINWKTFDMHV-IERDGZPVSA-N 481.500 5.124 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1831846065 VLDCTBAMJNTHLQ-CYFREDJKSA-N 452.620 5.031 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831851999 KCRUZVWRVVXONR-AOYPEHQESA-N 457.058 5.503 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1 1832087884 WZLQYUDZUNEXKQ-RUZDIDTESA-N 453.671 5.243 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707261 PHPNREZVRKBQRO-PMACEKPBSA-N 474.564 5.032 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)cc1 1838766642 SPVNGPXCCGDMOY-XZOQPEGZSA-N 487.644 5.038 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCc2cccc(C#N)c2)cc1Cl 8953072 NJWYWXFJKPJJLI-UDWIEESQSA-N 465.987 5.959 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1ccc(OC)cc1 10405618 DRQKHLBQFJDRSZ-QGZVFWFLSA-N 466.632 5.149 30 20 JKED CC(C)c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1Cc1ccco1 10934760 DBBZFTWROBFENO-OAHLLOKOSA-N 469.636 5.364 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1)c1cccc(Br)c1 11128370 ZYWWVNDTKKNGPD-UHFFFAOYSA-O 496.328 5.512 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c(C)n1C 11248712 UQOCLBIEMLQBEY-UHFFFAOYSA-O 454.566 5.137 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)nnc1-c1ccc(Cl)cc1 11450082 IIMQLMNEENBORW-UHFFFAOYSA-N 479.389 5.186 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1C#N 19283866 OOLGHDNLFYPTSO-UHFFFAOYSA-N 451.559 5.419 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 21673366 YAVBXPBTJDWCOM-CYBMUJFWSA-N 464.925 5.505 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nnc1-c1ccc(Br)cc1 21927648 QJHOPRPXHIAUNJ-CQSZACIVSA-N 473.396 5.022 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(CO)c2)cc1 22730151 RSOLSHPHICHQLW-UHFFFAOYSA-O 499.612 5.708 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1 22734885 PNINKGZKVLZAQA-UHFFFAOYSA-O 486.060 5.989 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccoc1C 23518984 NXESXQORDVNZNG-QGZVFWFLSA-N 474.611 6.343 30 20 JKED O=C(Nc1ccc(F)cc1Cl)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 24377369 WBGZMFLOYOBFJD-UHFFFAOYSA-N 451.729 5.955 30 20 JKED C=CCn1c(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)nnc1-c1ccccc1 24727725 YUBUXFZVBINPDQ-XMMPIXPASA-N 454.599 5.323 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CC1 30674576 MQINNRPFDURREJ-UHFFFAOYSA-N 484.541 5.038 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)Cn4cc([N+](=O)[O-])ccc4=O)c3C#N)C(C)(C)C2)o1 31671833 WXMZJXJSHQVAAD-VMPITWQZSA-N 490.541 5.008 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 107805235 ALQCVOJZIKVCIC-UHFFFAOYSA-N 491.576 6.280 30 20 JKED COc1cc(/C=C2\CCc3cc(O)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 110310982 CYNSJJDCOJJTEW-LDADJPATSA-N 463.917 5.284 30 20 JKED CCOc1ccc(-n2c(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2cccnc2)cc1 114996410 SPIYLHFLKIADAA-HXUWFJFHSA-N 498.612 5.155 30 20 JKED COc1ccc(C)cc1-n1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 195697474 DJYQZUMJORXBOX-UHFFFAOYSA-N 452.514 5.087 30 20 JKED Cc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)cc1[N+](=O)[O-] 303136374 LERZEQQAKTUWEG-UHFFFAOYSA-N 460.471 5.323 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)s2)cc1 303137662 QMXVWHXTHNEPMU-UHFFFAOYSA-N 484.528 5.929 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)c2)cc1 482192550 KOZFAHRXLHLFEP-QFIPXVFZSA-N 455.539 5.786 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)s2)cc1 487383820 DUDXMJJESUFQBH-SFHVURJKSA-N 499.423 5.403 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 493317327 DVVIBOTWMUUODG-UHFFFAOYSA-N 461.008 5.055 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c1 498834597 GLDHDHDREWWWHL-QGZVFWFLSA-N 465.579 5.359 30 20 JKED O=C(C[S@](=O)Cc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 501202313 SBXNZFZQIYNZPA-WJOKGBTCSA-N 477.348 5.630 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(C4CC4)n(-c4ccccc4Cl)n3)n2)cc1 501284426 IASRGAIYQXBWCK-QGZVFWFLSA-N 459.962 5.720 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 501844875 UYTOMUCEIPRVSX-GOSISDBHSA-N 485.959 5.482 30 20 JKED COc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)c1 502672511 WPXYOTIMKAPITP-UHFFFAOYSA-N 470.529 5.242 30 20 JKED Cc1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)cc1S(=O)(=O)Nc1cccc(Cl)c1 504699878 JQVTVDXHPSZTBU-UHFFFAOYSA-N 493.035 5.082 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(c2ccc(F)cc2)C(C)C)c1 505070887 OXHNJHVLDHWMQD-UHFFFAOYSA-N 486.996 5.916 30 20 JKED COc1cc2c(cc1OC)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3OC)cc1)CC2 508272838 JMVPHUAKNZFTJZ-UHFFFAOYSA-N 473.529 5.009 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 509015969 JPRXFHVQGQOZJL-UHFFFAOYSA-N 467.472 6.069 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 510005449 MZMSJQIRCZRZSF-UKILVPOCSA-N 475.976 6.382 30 20 JKED C[C@@H](COc1ccc(F)cc1F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 510616639 OATNAZISNHDLBO-KRWDZBQOSA-N 451.473 5.199 30 20 JKED CC(C)n1c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccc(Cl)cc1Cl 515175154 HAPPLELLDZZWHY-LJQANCHMSA-N 472.401 5.602 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 515652442 MPMLAPHVWMVLAR-UHFFFAOYSA-N 487.563 5.841 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1 515797082 CXMOMTDTWJIJET-HSZRJFAPSA-N 453.464 6.147 30 20 JKED C[C@H](Oc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cn1)c1ccccc1 515925900 XZRSVFMBNSZOFW-IBGZPJMESA-N 462.509 5.598 30 20 JKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 517444168 PULZKNJAXDIBON-AWEZNQCLSA-N 476.517 5.156 30 20 JKED CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 517517994 NOMROJQDKPIKGY-SFHVURJKSA-N 499.592 5.528 30 20 JKED N#C[C@@H](C(=O)c1csc(I)c1)c1nc(-c2c(F)cccc2F)cs1 518094420 DYLYPKNZKFZHEP-VIFPVBQESA-N 472.279 5.244 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccnn3Cc3ccc(Cl)c(F)c3)o2)cc1 518727731 YOCLVJPBIBEYNN-UHFFFAOYSA-N 450.857 5.020 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518754419 KZKDDWOTLYAWHS-FQEVSTJZSA-N 483.572 5.490 30 20 JKED Cc1ccccc1-n1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1C(F)(F)F 520428952 CCETVHUKHYRARV-ZDUSSCGKSA-N 488.441 6.091 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1Cl 521072150 NTWSFJQGRQYECL-XMMPIXPASA-N 479.024 5.688 30 20 JKED C=CCN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1nc2c(s1)CCCC2 521269856 SWRQCRDJYBNGOI-UHFFFAOYSA-N 494.457 5.737 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 521356794 UMSQBILXZGFFLP-HXUWFJFHSA-N 467.569 5.570 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(OCC(F)(F)F)cc1 524441007 MXEUNUYMGSKVTJ-UHFFFAOYSA-N 469.463 5.709 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 591615768 NDZMHJWJSZONFQ-VIFPVBQESA-N 458.754 5.209 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1ccc(F)c(Cl)c1 595869190 DBXFFKZVFOGTHC-GFCCVEGCSA-N 479.846 5.487 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cn3c(COc4ccccc4)nc4ccccc43)cn2)cc1 603764716 OFYWLGQLQZTDAJ-UHFFFAOYSA-N 475.508 5.313 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2Cc3ccccc3-c3ccccc32)CC1 603817592 SKYLQTHKYLFDJG-UHFFFAOYSA-N 450.498 5.236 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(Cl)c1 604140155 SEDWRVFSPHKCDR-JTHBVZDNSA-N 466.368 5.855 30 20 JKED C=CCN(C(=O)c1ccc(OCC(=O)OC)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 604232626 JCWMYQGGMMKKAP-UHFFFAOYSA-N 477.369 5.502 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1 604569093 SKSKRROJZBVLJG-UHFFFAOYSA-N 461.568 6.034 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NCc2nc(O)c3ccc(C(F)(F)F)cc3n2)cc1 608781710 FUYGJUSDNUHXTO-UHFFFAOYSA-N 466.419 5.639 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 608817468 SEKVWKRWDGSLKH-QFIPXVFZSA-N 498.583 6.059 30 20 JKED CC(C)C[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 608864756 RFTWZAJYENJJOH-HSZRJFAPSA-N 486.538 5.725 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3c4c(nc5ccccc35)/C(=C/c3cccs3)CC4)CC2)nc1 608950864 DTNATFWCZJSVBX-CAPFRKAQSA-N 491.620 5.449 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cn1c(-c2cscn2)nc2ccccc21 609072758 ZJZQCVYGLDANQU-UHFFFAOYSA-N 479.565 5.558 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1I 609090056 VWEKMOGIBZBUMF-LBPRGKRZSA-N 486.256 5.718 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C 609192273 KFHSNRRIMWDKTL-PEBXRYMYSA-N 475.408 5.088 30 20 JKED COc1cc(Br)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378621 TUKAQLTVUYYGOC-UHFFFAOYSA-N 459.287 5.735 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1Br 609378982 LIODLPCLHXLQOU-UHFFFAOYSA-N 483.306 5.414 30 20 JKED Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609435693 GLRZUSVMQIMJAS-IBGZPJMESA-N 451.636 5.293 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(C)o2)C2CC2)c1 612551339 ULTAGEWQMZQHOO-UHFFFAOYSA-N 485.005 5.428 30 20 JKED Cn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2scc(-c3ccccc3Cl)c2c1=O 612646060 GUGIJCDFUMUPLJ-UHFFFAOYSA-N 495.029 5.354 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nc2ccccc2n1C(F)F 613403849 KHXCKOAAFRKRLM-SFHVURJKSA-N 479.918 6.029 30 20 JKED C=CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 614536171 HRVASTLZEWPGCW-MRXNPFEDSA-N 487.412 5.080 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 615485474 ABAYJMFDRJRTPW-UHFFFAOYSA-N 463.509 5.315 30 20 JKED O=C(Nc1cccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1)c1ccc(F)cc1 618304660 XUCJJHBUCCIVRR-GASCZTMLSA-N 462.365 5.281 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 643933149 XTJTVGQEPGWUCL-AWEZNQCLSA-N 462.953 5.374 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)n2)c1 726148053 LQVYIXCUUGXXSW-UHFFFAOYSA-N 495.910 5.387 30 20 JKED COC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccccc1 726321916 CAYSNPQGOMZLFF-RHSMWYFYSA-N 498.033 5.384 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C#N)c(Cl)c1 726404924 AJUCDZPOJWFDTM-GOSISDBHSA-N 492.910 5.377 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(C#N)c(Cl)c1 726409186 PAUMNYHBOZARGX-JOCHJYFZSA-N 474.973 5.511 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC2CCC2)cc1F 726413702 ZZCPELISNGHRMV-JOCHJYFZSA-N 469.582 5.212 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2cc(O)ccc2C)c1 726573359 YEYGQXKWWGRTSQ-UHFFFAOYSA-O 475.593 5.864 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2C(F)(F)F)C[C@@H](C)O1 728011966 PEMHRYJNXUREBD-IAGOWNOFSA-N 499.489 5.615 30 20 JKED COc1ccc(-c2nc(COC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cs2)cc1OC 728108570 BPDQZQZKOFONPK-UHFFFAOYSA-N 476.510 5.228 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)N[C@@H](c3ccccc3)c3cccs3)cc2F)c1 728200394 BIELCNBDRRFWBL-MHZLTWQESA-N 471.557 5.656 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)c2)cc1 728669725 TWPBMHAKQPUJRG-UHFFFAOYSA-N 485.374 5.073 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 729634268 KCYZYPJPHBEZPX-NRFANRHFSA-N 482.968 5.343 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730712088 DDPYAWKUZTXKJT-HXUWFJFHSA-N 486.956 5.244 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1cccc(Cl)c1 731071060 OMBSFGQCUYGDSK-QGZVFWFLSA-N 497.020 5.696 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)cc1F 731310134 BAYIWSSOFXDPGD-QFIPXVFZSA-N 481.524 5.139 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)c1 731312987 RTJHSKJDFIKONE-VWLOTQADSA-N 498.608 5.548 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 731400870 WQABQWSZLUYAKV-BFUOFWGJSA-N 457.905 5.306 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Br)c2)N(CC(C)C)C1=O 732780258 QTJYMGYMIXADDV-IBGZPJMESA-N 490.423 5.074 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc4cccnc34)C2=O)c1 744996762 GEOLUQVKMMERBS-RUZDIDTESA-N 494.620 6.012 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2F)c1 745584226 NBNODRCQSCMLTJ-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Br)s2)cs1)c1ccc(F)cc1F 745998243 MKTWHIGDHYUEAH-HWKANZROSA-N 469.332 5.826 30 20 JKED CC(C)(C)N1C/C(=C/c2cnc(-c3ccccc3)nc2)C(=O)/C(=C\c2cnc(-c3ccccc3)nc2)C1 747066521 MKVVSABKDOEBPJ-JUZYOEKXSA-N 487.607 5.751 30 20 JKED Cc1cc(-c2cc(C(=O)NC3CCN(c4ccccc4C#N)CC3)c3cnn(C(C)C)c3n2)c(C)s1 747337361 PXKMDKVUGHMUNN-UHFFFAOYSA-N 498.656 5.628 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)cc1 747602124 ITXPLJMSLITOGO-QFIPXVFZSA-N 494.642 5.319 30 20 JKED N#Cc1ccc(C(=O)COC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 748579203 JZVGKAPSYJOLKU-MOSHPQCFSA-N 483.505 5.433 30 20 JKED CC[C@H](C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)[n+]1ccc(C(C)(C)C)cc1 749891555 SZOGHMLRXMFZLI-SFHVURJKSA-O 454.660 5.277 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCC(F)(F)F 750392495 RKJOXURTHOUBOT-IBGZPJMESA-N 470.447 5.070 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCNC(=O)c2cccc(Br)c2)cc1 750692094 VYZLMIUVPXCTHC-HSZRJFAPSA-N 491.389 5.046 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CC(F)(F)F)c1 799214935 PUSJASDFNATHCQ-SFHVURJKSA-N 494.495 5.043 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)ccc1Cl 822266952 QADCMJBSVMEIAD-QGZVFWFLSA-N 485.009 5.141 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3OC)N(Cc3ccc(F)cc3)C2=O)c1 838493239 XEMASUHMGFZXCL-QHCPKHFHSA-N 493.560 5.003 30 20 JKED C[C@H](SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1 849191770 SAADEFBFVSNWKL-RMDTYCCRSA-N 476.577 5.034 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 912498349 WLTAEWMISQKTBY-GOSISDBHSA-N 481.549 5.215 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C)cc1 914772530 CADOTIANAOAEJE-XMMPIXPASA-N 491.588 5.441 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 915354260 YKCYONVIHPCCKV-VWLOTQADSA-N 494.517 5.590 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccn3)C2=O)cc1Cl 916204304 BTQBYGPAFAZTSM-NRFANRHFSA-N 464.978 5.204 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O 916204415 FHBRFSNFOBORNR-NRFANRHFSA-N 464.978 5.204 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(C3CC3)C2=O)cc1Cl 916214079 JLLMJRQLDWUHIJ-SFHVURJKSA-N 464.374 5.125 30 20 JKED COc1ccccc1Nc1nc(Cl)c(C=Nn2cnc3sc4c(c3c2=O)CCCC4)s1 916541337 PYVGAUNFTUWGOB-UHFFFAOYSA-N 471.995 5.081 30 20 JKED CCOc1cc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(F)F 916679664 XPGJNZOIFKHNPA-NRFANRHFSA-N 451.473 5.664 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cc1 916710583 LQMYKTJREDZCMV-KNQUJZAFSA-N 497.020 5.064 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2c1C 916883537 LYADJUPODIYYOQ-AWEZNQCLSA-N 478.571 5.063 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 916901852 BNLCONONCDMHQG-MRXNPFEDSA-N 491.935 5.204 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)sc2C)cc1 916904049 ZQVFXRWVFGEUTM-SFHVURJKSA-N 468.962 5.664 30 20 JKED CC(C)Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc21 916906652 SCXVPQRQMUAJSY-QFIPXVFZSA-N 451.526 6.051 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1c(C)[nH]c2ccc(Br)cc12 916909732 UATVMDBZGMNLMP-HXUWFJFHSA-N 466.379 5.254 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc12 916936804 XCWAIQSPDAUGTG-QGZVFWFLSA-N 484.915 5.347 30 20 JKED CCCCCn1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)c2ccccc2c1=O 916956007 WSLQUXBCOCOVTB-WZONZLPQSA-N 458.562 5.061 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cs1 917544862 JLFWSNJQUPNATG-UHFFFAOYSA-N 450.307 5.489 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 917749250 BAFJIUPQTKACQL-INIZCTEOSA-N 451.423 5.271 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 917773666 AVDCMRRUHBUTKY-UHFFFAOYSA-N 458.974 5.844 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)cc1 917798566 VSNOSFXVIITZGD-UHFFFAOYSA-N 463.584 5.658 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1C#N 919035483 OKYLTSJJOBAGSC-HXUWFJFHSA-N 490.412 5.380 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920110327 CSJZKPKDHMGLRH-OAHLLOKOSA-N 468.127 5.447 30 20 JKED COc1ccc(C2(CNC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCCCC2)cc1 920322068 WTNICWVONLDQFR-MHZLTWQESA-N 481.596 5.307 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2ccccc2F)cs1 920363026 PLYVABFVUWFVFY-UHFFFAOYSA-N 481.500 5.306 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 920743443 DCHUDMCNDBVXJJ-OXJNMPFZSA-N 471.513 5.215 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 920804571 VUHCBJHJFVOZMY-GFCCVEGCSA-N 457.552 6.001 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 921010827 KANFUUNMISQRBR-UHFFFAOYSA-N 483.977 5.285 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3sccc3s2)C1 1778974922 PJANYWPQUKELNA-HYBUGGRVSA-N 460.665 5.083 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN3C(=O)OC(C)(C)C)CCC2)cc1 1785840971 UANVHQLTEHIAOR-OAQYLSRUSA-N 469.626 5.122 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc2)CCC1 1785949484 IBPXVEXLDVFGRM-WKULSOCRSA-N 485.462 5.045 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)COC4CCCCC4)cc3)CCC2)c(Cl)c1 1786015270 CIWQOBQZCQXCHN-UHFFFAOYSA-N 465.981 5.309 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1 1786042362 LFYSCQGJBXWFAL-UHFFFAOYSA-N 468.944 5.016 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1786162585 NESMLPMATBCPQP-CCEZHUSRSA-N 496.629 5.133 30 20 JKED Cc1onc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)c1C 1786538282 RRSKPPKAQSBVPC-UHFFFAOYSA-N 482.462 5.243 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1 1786548364 UMFTXHVMYNZMED-JOCHJYFZSA-N 481.568 5.043 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5cc(Cl)ccn45)cc3)CCC2)c1 1788386237 XLNHITDVLKKZBG-SFHVURJKSA-N 497.986 5.676 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)cc2)CCC1 1789293023 LVBGGMGOZCBCNW-HNNXBMFYSA-N 470.495 5.542 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393577 WBBZHDGLBLQWAJ-OAQYLSRUSA-N 465.981 5.142 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(N4CCCC4)ccn3)CCC2)cc1 1789453928 ILTTZCMHCKPQBE-XMMPIXPASA-N 458.606 5.198 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCNC(=O)OC(C)(C)C)CCC2)cc1 1789455162 MRIIDSVMKCEEKK-JOCHJYFZSA-N 469.626 5.194 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccccn34)CCC2)cc1)c1ccccc1 1789600898 UUOBIJGLWSODPH-VWLOTQADSA-N 476.580 5.279 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)nc4)CCC3)cc2)c1 1790074156 ZQJSRRPHYLTMEV-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2)CCC1 1790684879 ZEEATCCTWOLFRX-LJQANCHMSA-N 450.579 5.203 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)cc(O)n1 1790785166 QYPGDHPHVNQYOT-UHFFFAOYSA-N 494.473 5.048 30 20 JKED Cc1cc(C)n2ccc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5Cl)CCC4)cc3)c2n1 1791002952 VWCJVVPMFKFCQU-UHFFFAOYSA-N 497.986 5.538 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)[S@@](=O)c3ccccc3)cc2)CCC1 1791062120 UUFJMUAAYFIUIS-OGPYBGEISA-N 464.631 5.085 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ncccc45)cc3)CCC2)c1Cl 1792291022 BRCWERXPYBVDTB-UHFFFAOYSA-N 497.986 5.468 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1 1797779250 NRTILOOCGJURKF-TVCZUWLISA-N 461.993 5.023 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1802493936 ZTKDZUJKRGINBF-KKLOWMGVSA-N 451.636 5.245 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1802496279 HRZSRYIYDZNDSA-XLIONFOSSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1802504244 XBDCESSUDRKIEA-OFNKIYASSA-N 479.621 5.747 30 20 JKED CCCCCc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)cc1 1802995857 PPVINKHHNVZSPH-HANCOPLISA-N 495.627 5.047 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1803084584 UCNYVXCHOCVCSQ-LSYYVWMOSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1803089610 CJIKXUKAENVUTO-BKMJKUGQSA-N 489.019 5.371 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C)oc3C(F)(F)F)CC2)C1 1804858395 GNSIGBGOMXGBSR-UHFFFAOYSA-N 454.533 5.444 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3c[nH]c4cc(C)ccc34)CC2)C1 1805460967 MSCPNMYGNUHAEY-ZRDIBKRKSA-N 459.634 5.489 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)nc4ccccc34)CC2)C1 1806065875 FGJNTCBDMFZOEY-OAQYLSRUSA-N 493.595 5.053 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1808487602 BRXHNOBLDAXEEN-CVDCTZTESA-N 499.945 5.526 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810112157 YQZSUKPYIZZDQH-UZKOGDIHSA-N 471.692 5.322 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1810173503 PCLDPKVYZCRSQT-OASJLCFRSA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1810174918 QQJRLKZXPQPYGY-YMPZKCBVSA-N 487.522 5.068 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1810271722 JHNAAPSERIYNIY-SHQCIBLASA-N 487.676 5.199 30 20 JKED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1813043147 JWDLMDXLYSCKRY-RWUBSVTLSA-N 481.706 5.379 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813051876 XLSBARZCGVWQRY-OPAMFIHVSA-N 478.807 5.165 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)s1 1813864703 BIGMRXPIDXMFRV-BRBPODBZSA-N 486.641 5.031 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)[nH]n1 1814440456 SAADYTVPDCUDJE-DHIUTWEWSA-N 464.610 5.098 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)[nH]n1 1814442951 CNUBWCZDKCOQRJ-QFIPXVFZSA-N 463.582 5.198 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccnc(C(C)(C)C)c3)n[nH]2)c1 1816107218 NTGZYNVGARJOPZ-WZONZLPQSA-N 484.604 5.349 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(OC)ccc2OC)n[nH]1 1817066699 RUNQNUQOOJPTQI-JOCHJYFZSA-N 482.625 5.044 30 20 JKED CC1=CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)CC1 1818805583 NMBFBOGTAGJPNT-UNMCSNQZSA-N 454.691 5.199 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)sc2C1 1818907378 HRJHGXLZMTVKDJ-CZUORRHYSA-N 469.010 5.091 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)n[nH]1 1821788573 ZNFCGELZMBKUGT-KHMOSXFSSA-N 491.680 5.524 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccc(Cl)cc1 1821857283 RGTAQFOGSPNOSP-UIAHHWCESA-N 496.011 5.207 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)[nH]n1 1821925027 LBYZLMRPODKSMJ-UWJYYQICSA-N 492.542 5.649 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1)C(F)(F)F 1821992137 SNOXCXDNLOXBGG-HXUWFJFHSA-N 483.494 5.205 30 20 JKED Cc1ccc([C@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1822060478 UEFXFEMYWWVUOP-NBGIEHNGSA-N 469.589 5.018 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1)NC(=O)OC(C)(C)C 1823348328 XXFJYUANLXPDRQ-ZOIIRCJOSA-N 499.656 5.008 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823684508 ZTBKDPSRRKKNRB-MLBYCOPISA-N 475.658 5.276 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)C1 1823700193 MSOMUCCASJLVIJ-LJAQVGFWSA-N 493.651 6.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4sccc4c3O)sc2C1 1824180131 XIOZQHDTMHBFMH-LSDHHAIUSA-N 467.616 5.058 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)sc2c1 1826202361 FZQGVDURHCXFKE-HSZRJFAPSA-N 490.604 5.163 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826512053 YWBJDTFVRFSUSA-PGRDOPGGSA-N 450.545 5.080 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827266083 HIHFQYRLIGTQIP-KNQAVFIVSA-N 486.081 5.951 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1827356389 VVYUIRMAZQOAMZ-CLOONOSVSA-N 481.587 5.472 30 20 JKED Cc1csc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827680931 BAYMPUSMTVUUHM-DQACCSDVSA-N 484.687 5.109 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)cc1C#N 1828262160 RDOSXQFSOQDXBM-SANMLTNESA-N 499.611 5.639 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 1828822004 BYLJSPZRPMFVCF-UGKGYDQZSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1828826687 KBIBWIABJFXENK-BWKNWUBXSA-N 451.586 5.309 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829565049 KMVMXDPLUZJPSP-WNCULLNHSA-N 499.655 5.431 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2SCC)CC1 1829867119 QJZCZGOWXUFUEB-FGZHOGPDSA-N 455.668 5.195 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1830073391 SSZZDKAWUHFHLT-IDISGSTGSA-N 457.618 5.423 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830447750 PGUUMKTZEKXYSB-VSGBNLITSA-N 471.645 5.750 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2Cl)CC1 1830530990 BQUWJSSRUXBVJE-IBGZPJMESA-N 471.798 5.051 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830535729 CKPOUXZLMSGFSA-INIZCTEOSA-N 468.413 5.030 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830627547 ZPKDKKTUOAGCHJ-NSOVKSMOSA-N 471.645 5.426 30 20 JKED COc1ccc2oc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C)cc(C#N)c4)CC3)cc2c1 1830769374 MNWIVSGUDCZGND-VWLOTQADSA-N 485.584 5.169 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 1831205781 HHITUYGHGBSYGY-FTJBHMTQSA-N 486.100 5.331 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)CC1 1831303143 FUKISCYHGCMTRT-IZZNHLLZSA-N 482.665 5.025 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)[C@@H](C2CCOCC2)CN3)CC1 1831371252 WHQULGLLHBKZCB-GGPAXRDESA-N 493.692 5.068 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1831375029 LYPWBDMGSDFJCF-CYFREDJKSA-N 475.658 5.895 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1)C(F)(F)F 1831451438 UMCOMYCZDCUWBG-CZIOWHBQSA-N 466.569 5.339 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1832028200 HVLCSGZWSQUNRZ-OAQYLSRUSA-N 488.554 5.009 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2ccccn2)CC1)c1ccccc1 1832084637 BWNNEEJJALCCII-GHPJVDHGSA-N 485.672 5.077 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)c[nH]c2c1 1832962225 OQYVAYLNHZJIPA-WBYFNBFHSA-N 498.602 5.434 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1832984478 ZKXUXSVOXHKYIJ-PEGYQXGSSA-N 498.614 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)CC1 1838423845 IBRUEMHPEWHQJH-UHFFFAOYSA-N 498.067 5.493 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)C(C)(C)Oc3ccc4ccccc4c3)C2)c1 1845047164 UMGJAJDCNDIIGW-NRFANRHFSA-N 481.596 5.141 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2cccc(Br)c2)c1 11085090 OZAURNLKKKXSNW-UHFFFAOYSA-O 468.440 6.219 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(SC(F)F)cc1 11113216 HHSHVBNQHKUZKS-UHFFFAOYSA-O 478.009 6.556 30 20 JKED C=CCN(C(=O)CSc1ncnc2c1cnn2C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 11684723 RDPFMTMREDFSRI-UHFFFAOYSA-N 491.429 5.105 30 20 JKED C#CCOc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1OCC 16441732 OVVOZOUXRGCBAS-UHFFFAOYSA-N 476.479 5.036 30 20 JKED Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)o1 16659291 SURPRGQDPBDJBT-UHFFFAOYSA-N 461.522 5.194 30 20 JKED CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(CC#N)cc1 17183329 GIFXVSLISNMDRB-UHFFFAOYSA-N 455.381 5.129 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nc2sc(C)c(C)c2c1=O 18352300 PFNZPRSTNUZBID-OAQYLSRUSA-N 499.658 5.459 30 20 JKED C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nc2cc(-c3ccccc3)sc2c1=O 21494331 CLMUTAIJMLXNQY-UHFFFAOYSA-N 469.538 5.320 30 20 JKED CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(Cl)cc1 21848811 AOLNJTIFVZOZFG-LBPRGKRZSA-N 458.012 5.160 30 20 JKED C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 22078517 ADLBLJSZDMZXQR-INIZCTEOSA-N 499.999 5.412 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccc(F)cc1 22100641 YBWBOXRXQRFCQB-SFHVURJKSA-N 465.598 5.380 30 20 JKED Cc1ccc(-n2c(SCc3nc4ccccc4c(=O)n3CC#N)nnc2-c2ccccc2)cc1C 22674464 GGYQCAKTKIRFMK-UHFFFAOYSA-N 478.581 5.077 30 20 JKED C=CCNc1nnc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)s1 23485905 PHDRZZYSMOVFHI-GUYCJALGSA-N 474.011 5.241 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nc2sc3c(c2c1=O)CCC3 23631993 AUSZRFFPMMQXEL-UHFFFAOYSA-N 494.667 5.566 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 28777947 NXEGBYWWYPLLGC-UHFFFAOYSA-O 464.567 5.239 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccccc1OC 32326410 LGRSHHGLFFQDMK-FQEVSTJZSA-N 490.551 5.914 30 20 JKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 71944574 YKQWFGLERKPKEJ-UHFFFAOYSA-N 454.574 5.596 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 109863442 QYIYAIGGKARSNA-UHFFFAOYSA-N 474.374 5.047 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c1 303212331 RTDQWHNLYRQUKC-UHFFFAOYSA-N 454.523 5.142 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 481808384 RQINIWVGVSAFPE-UHFFFAOYSA-N 492.457 5.613 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1C 502217568 GMBUMNLNAXXWAT-GOSISDBHSA-N 470.495 5.513 30 20 JKED Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cn2)cc1C 502679118 KXCZRESCBUUEEY-UHFFFAOYSA-N 469.545 5.245 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1 508286262 HSIRCKLQNTXKNV-LJQANCHMSA-N 499.571 5.108 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)[C@@H](C)c1ccc(C#N)cc1 509578932 KFKXZSAQPLJTKM-SFHVURJKSA-N 490.401 5.725 30 20 JKED C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)C1 510054017 HZHCNYLNJBMSAK-NTKDMRAZSA-N 479.024 5.498 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12 514363252 RBQWLLWODQSYOT-LEWJYISDSA-N 477.678 5.004 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 514578726 AASOQPBJMZWJFZ-MHZLTWQESA-N 452.558 5.167 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccc(Cl)cc4)o3)c2C#N)C1 514768740 OPFGPEPZYULIEB-GFCCVEGCSA-N 458.996 5.569 30 20 JKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc2cc(Cl)ccc2s1 515540041 DFOMOLKGTUISJN-OAHLLOKOSA-N 461.959 5.749 30 20 JKED CC(C)[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1nc(-c2cccnc2)no1 517905962 SXPKPLWVSHVRCG-QFIPXVFZSA-N 454.490 5.314 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1Oc1ccc(F)cc1 518154943 HXPPVBRGULGTJZ-KRWDZBQOSA-N 477.561 5.433 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)c(NC(C)=O)c2)nnc1-c1ccc(Cl)cc1 518716378 VKCLTFUIJCJQGA-UHFFFAOYSA-N 476.389 5.127 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 520846783 JLQKWSFGQLPOQB-AVRDEDQJSA-N 471.582 5.184 30 20 JKED CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 521072330 XHKPHWQLPOHRJI-DEOSSOPVSA-N 464.972 5.730 30 20 JKED N#C[C@@H](NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1cccc(Cl)c1Cl 521292724 YNLBBMVFMQACGX-BLLLJJGKSA-N 457.283 5.005 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 521841225 XLQACIQNJVLEHX-UHFFFAOYSA-N 454.574 5.454 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4ccc(F)cc4)CC3)cc2)cc1 522423952 ITMOXBUBJCEVPI-UHFFFAOYSA-N 458.493 5.372 30 20 JKED CCc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nn1-c1ccccc1Cl 561150851 YWYTZOZKXXFOIU-UHFFFAOYSA-N 479.915 5.760 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C 576690932 ZEFQAJGGLAIUDA-OAQYLSRUSA-N 455.558 5.384 30 20 JKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590875166 IZYFEBWGSNZKPJ-STQMWFEESA-N 494.382 5.596 30 20 JKED CC(C)CN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(C#N)cc1 603529940 ZATPGFSESSPTFK-UHFFFAOYSA-N 457.496 5.118 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc12 604182158 SLGRYXQPCRRRTH-UHFFFAOYSA-N 489.329 5.315 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cc1 608874868 KXJITEGQJFTOMS-UHFFFAOYSA-N 482.927 5.690 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)c2)cc1 609209733 JUSOELXMHMPNKK-UHFFFAOYSA-N 458.493 5.372 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C 609426438 FLULRDAPUMCMLV-UHFFFAOYSA-N 467.529 5.588 30 20 JKED O=C(Nc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1)C1CC1 618539411 AZMCSHABSSJWLZ-PHIMTYICSA-N 491.354 5.649 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4nccc4-c4ccc(F)cc4)cc3)n2)cc1 619756502 GZRSQJGJJRDQGH-XMMPIXPASA-N 489.535 6.164 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc2cc(C(F)(F)F)ccc2s1 726322623 NISHCALRNZCNKY-AWEZNQCLSA-N 482.443 5.920 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCc3c(Cl)cccc32)cc1Cl 726402940 ICWUHLPYXCJLKQ-RTWAWAEBSA-N 499.423 5.153 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N([C@@H]2CCCC[C@H]2c2ccccc2)C1=O 726408517 FRGZXACBHIZRPF-NNWRFLSQSA-N 481.021 5.006 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/[C@H](C)c1cccs1 726420262 HYXPSYXJALCFFW-RQRZYCAESA-N 473.664 5.180 30 20 JKED CCc1cccc[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1ccc(CC(C)C)cc1 726569492 AWMBODGYBBYPSI-UHFFFAOYSA-O 460.623 5.242 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)c(Cl)c1 726892740 WHFFFYVFOISTLH-GOSISDBHSA-N 497.926 5.514 30 20 JKED COc1cc(-c2cc(C(=O)Nc3ncccc3OCCCC#N)c3ccccc3n2)cc(OC)c1OC 726958144 SPISIJAZPFZBLM-UHFFFAOYSA-N 498.539 5.257 30 20 JKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cc4cnn(C(C)C)c4nc2Cl)CC3)cc1 727780351 MAXDPQJWRGWOOY-XNTDXEJSSA-N 464.978 6.010 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 727996718 LFMUAYVSHOEKKS-UHFFFAOYSA-N 471.557 5.723 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2C#N)cc1F 728425147 KXCFWZBVZWERAS-DEOSSOPVSA-N 497.555 5.038 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1F 729146366 RJQJIYQYXCIPTC-GOSISDBHSA-N 490.532 5.029 30 20 JKED CN(C[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1)C(=O)OC(C)(C)C 729391071 DYOJTDULBILYJJ-SFHVURJKSA-N 451.592 5.038 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)cc1 729632951 BPSNABMTKTXZMY-QFIPXVFZSA-N 480.540 5.137 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(C)c1C 729634504 NBUHICLFNFQVOX-XMMPIXPASA-N 483.597 5.039 30 20 JKED COc1cc(CNCc2ccc(OCC#N)cc2)ccc1OCc1ccc(Cl)cc1Cl 729685370 MZQUXZHWHUEVLS-UHFFFAOYSA-N 457.357 5.773 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2cocn2)C1=O 730715473 NUJAJJWIIKRNNG-HSZRJFAPSA-N 492.601 5.241 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CCOCC1CC1 730945058 LMGADCMRYFTYHU-VWLOTQADSA-N 498.608 5.098 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C 731067373 QZYNQWLJTLAZSQ-FQEVSTJZSA-N 486.593 5.724 30 20 JKED Cc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1NC(=O)c1ccccc1 731074619 QYVNRDVXDBPFSC-LJQANCHMSA-N 487.581 5.437 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)C2c3ccccc3Oc3ccccc32)nc1C 731224849 IIHORMUQTZHNAD-UHFFFAOYSA-N 461.572 5.061 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 743446725 BWAFDOHLCQBCFF-PBHICJAKSA-N 466.390 5.693 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 743524124 HLKKRLUHWFURDE-GOSISDBHSA-N 465.472 5.276 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744998071 ZBVKABUKAHUPJS-HXUWFJFHSA-N 499.423 5.342 30 20 JKED CC(=O)Nc1ccc(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)cc1 745867794 MNJMBCUKYOTBCQ-QHCPKHFHSA-N 474.542 5.480 30 20 JKED COc1ccc(/C=C2/COc3c(Br)cc(Cl)cc3C2=O)cc1OCCCC#N 747361467 OMYNJSMHRSPOJD-ZSOIEALJSA-N 462.727 5.452 30 20 JKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)c(Cl)c2)CC3)cn1 747433564 IDSDWXPJHRUZDJ-WJDWOHSUSA-N 474.351 6.001 30 20 JKED N#C[C@@H](Cc1ccccc1)OC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 750062774 NXIYJALGLAPMCG-GOSISDBHSA-N 475.353 5.086 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)ccc1OCC(F)(F)F 750922148 ODFLORJTELYYPO-UHFFFAOYSA-N 486.519 5.533 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 838094078 LWCNLSXABZBFNB-GAJHUEQPSA-N 492.576 5.341 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1F 914541433 SQJYXSXXLQPUFV-IBGZPJMESA-N 453.564 5.356 30 20 JKED CN(C)Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)c1 914691495 OLYRVGQGCYAVMR-XMMPIXPASA-N 490.604 5.048 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914795894 JNMMJKATJAKPOF-IMRBUKKESA-N 457.821 5.972 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 915097836 BGNUHEJEETUJJY-ZBFHGGJFSA-N 485.594 5.438 30 20 JKED Cc1cc(NC(=O)[C@@H](C)SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)no1 915102654 BZPSUZVFZGVKHR-RISCZKNCSA-N 495.413 5.350 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)cc1 915104458 APJUZBZSLOVZRT-FUHWJXTLSA-N 471.504 5.352 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CC2CCC2)C1=O)Nc1ccccc1Br 915116471 HRCARUNPJNNFTP-LJQANCHMSA-N 490.398 5.349 30 20 JKED C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)C[C@@H](C)O1 915351759 BZAOHYDCQZCCFM-XJGOYTCSSA-N 468.601 5.273 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)cs1 915354209 XLFVBDRXTPCVCL-CJAUYULYSA-N 452.583 6.657 30 20 JKED COC(=O)c1sc2[nH]c(/C(Cl)=C/c3cccc(OCc4cccc(C#N)c4)c3)nc(=O)c2c1C 915984193 BUJJUGVEQZWKLJ-ODLFYWEKSA-N 491.956 5.267 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccco3)C2=O)c1 916205480 JOARGYCSIZZLCK-NRFANRHFSA-N 451.523 5.196 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)c1C 916208333 ZKHRWNOWADZWKJ-QHCPKHFHSA-N 476.577 5.041 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 916210295 ZYHCTJLLKNPRJK-HSZRJFAPSA-N 479.577 5.366 30 20 JKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3nc4ccccc4s3)o2)cc1 916333460 MCERGVSZSDKJFE-UHFFFAOYSA-N 469.498 5.587 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cs1 916344453 IRWGHNDILYGXIK-UHFFFAOYSA-N 483.022 5.527 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cn2)c1 916402793 HTKVOIQAUOZIPF-SANMLTNESA-N 464.525 5.860 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)c1 916896280 DPCKUSPLFCVFMO-HSZRJFAPSA-N 475.508 5.009 30 20 JKED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975815 GCOUQMZRCJJSRZ-UXHICEINSA-N 482.005 5.776 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 917030029 SGFHGVNHQROZGD-UHFFFAOYSA-N 460.559 5.102 30 20 JKED COc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(F)c3)=C2C)cc1 917380444 YMMITJOYLYMLIX-XMMPIXPASA-N 472.545 5.054 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(Cl)cc2)n1 917678763 IAOLWSYHQQDTAD-OAQYLSRUSA-N 482.968 5.343 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)cc1 917683844 CRQCFHIDHVAPRY-HXUWFJFHSA-N 469.563 5.056 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccsc2)cc1F 917687580 SGTIECVVXYXBPI-OAQYLSRUSA-N 467.591 5.034 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cccc(OC(C)C)c2)C1=O 917696040 TZKZQRSUGQYXOA-IBGZPJMESA-N 480.417 5.048 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 918491566 DHCMYHHGUMCNTL-AWEZNQCLSA-N 457.278 5.334 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 920104485 VITOEYMVNWSMKN-JOCHJYFZSA-N 475.504 5.609 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C4SCCCS4)cc3)n2)cc1 920141967 NXMZCOAHWKDDLQ-HXUWFJFHSA-N 477.636 5.806 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)c(F)c2)C1=O 920357196 WETPRKTXTHMNKW-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)cs2)cc1 920365122 NIRBNZUECYNMLW-UHFFFAOYSA-N 471.611 5.537 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN=C2c3ccccc3-c3ccccc32)cs1 920373242 WBZXXLYUNZEYPJ-UHFFFAOYSA-N 490.510 6.698 30 20 JKED O=C1/C(=C\c2ccc(O)c(Cl)c2)CN(CC(F)(F)F)C/C1=C/c1ccc(O)c(Cl)c1 921270642 WHTRIKGWVCBROQ-IZUVBVRISA-N 458.263 5.319 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(Br)c4ccccc4c3)CCO2)C1 1779241330 OVNVPTPSAKVDTI-SANMLTNESA-N 499.449 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)C2)C1 1780065919 RGKDHOCKYFRORB-PMERELPUSA-N 485.628 5.042 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCOc4ccc(C)cc4)cc3)CCC2)c1 1785969356 QLOATUVJAXPUKP-UHFFFAOYSA-N 483.568 5.092 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(=O)c5ccccc5o4)cc3)CCC2)c1 1786000351 BKZXQTPGHQHXPU-UHFFFAOYSA-N 491.547 5.045 30 20 JKED CC(C)[C@@H](C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1)c1ccccc1 1786182370 VHYDYZBWTPCJPK-AYRFUNSJSA-N 457.574 5.272 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1786370767 BCFLFNOGZHRGMY-LJQANCHMSA-N 483.568 5.767 30 20 JKED CC(=O)Nc1ccc(Cl)c(C(=O)NC2(c3ccc(NC(=O)[C@@H](S)C(C)C)cc3)CCC2)c1 1786395826 JHYAODWXBZJMAK-NRFANRHFSA-N 474.026 5.001 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)cc2)CCC1 1787110076 CHLQYPYKKCLKKL-CQSZACIVSA-N 488.535 5.162 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4scnc4C(F)(F)F)cc3)CCC2)cc1 1787576995 UPRLTTUCMVQZES-UHFFFAOYSA-N 484.503 5.289 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1 1787682668 XXPXTYWAZGYXMV-UHFFFAOYSA-N 467.569 5.142 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4sc(-c5ccccn5)nc4C)cc3)CCC2)C1 1788682810 CDBNPMDYEPHKPD-UHFFFAOYSA-N 458.587 5.227 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccccn45)cc3)CCC2)c1 1788995431 BPAYNRSEUWXHOL-IBGZPJMESA-N 463.541 5.023 30 20 JKED CN(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)/C=N/N4CCCCC4)cc3)CCC2)c2ccccc12 1789512973 KDNOSDDIFRYXGR-NJZRLIGZSA-N 497.643 5.125 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCC2)cc1 1789622596 SWFNGPQRNXIMCZ-LJQANCHMSA-N 471.642 5.274 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c(F)c4)CCC3)cc2)c1Cl 1790082624 IOJYIIUSZZVBJE-UHFFFAOYSA-N 463.896 5.118 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc(F)ccc3F)cc2)CCC1 1790218771 YSUMFRYZIWGZOQ-ZHACJKMWSA-N 466.509 5.213 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(F)c3)CCC2)cc1 1790564692 LTNGCZQEGVHWMR-LJQANCHMSA-N 488.563 5.436 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccnc5)[nH]n4)CCC3)cc2)c1 1792124704 DXTQIIOHAZANOE-IBGZPJMESA-N 490.567 5.160 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3(NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1792384323 SCOSNRPFDBTERG-UHFFFAOYSA-N 469.626 5.170 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2cc(-c3ccccc3)ccc12 1796544110 YFRMBWDJFJMPTB-BKFWDETESA-N 468.601 5.250 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cc(Cl)ccc12)c1ccccc1 1797443552 RJUVEWGMPXVAJS-BJESRGMDSA-N 474.004 5.270 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3nc4ccccc4[nH]3)cc1)C2 1798339726 AUQSEJZGUULJIP-KIHHCIJBSA-N 468.601 5.250 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC(C)C)C2 1800175517 KHGSJOQCTPJMDR-BJESRGMDSA-N 479.706 5.315 30 20 JKED CC(C)(C)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)cc(C(C)(C)C)c1 1800556098 LQGVBTQPUWTBCG-NUNAXRQHSA-N 460.622 5.047 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)CC1 1802024820 WTXYLCMURPCBGS-UAQJXBAMSA-N 461.528 5.045 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c(Cl)c1 1802712500 VDIBNOXWQCGVCN-GAJHUEQPSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3ncc(Cl)cc3Cl)C2)CC1 1804739750 LGCCTEJQQPNQGW-UHFFFAOYSA-N 450.410 5.002 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1809840071 PMXKKPRITCZOEF-NTKDMRAZSA-N 479.621 5.747 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1810175107 WNYJFESLRMCEPA-FKCDAAJZSA-N 453.586 5.323 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810243817 QMDIOAFKGUQZFD-TWPCCNOHSA-N 475.658 5.470 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810925358 RTVUHSFPABRILM-AUSIDOKSSA-N 489.513 5.328 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810957367 ZHHYGYHDNGVJDV-YCRNBWNJSA-N 489.513 5.328 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1811287305 UEMGXSHPJGLNRD-PGRDOPGGSA-N 494.567 5.080 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@@H]1c1cccnc1 1812054482 OELWWJNOENWKNN-FIPFOOKPSA-N 487.550 5.150 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@@H]1c1cccnc1 1813052178 CMKAEMKLHFEAEV-OPAMFIHVSA-N 495.904 5.016 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1813057123 AIHWKBLZUDIYRM-HTAPYJJXSA-N 476.404 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1813865078 BDGYBQGJTJWCRR-ZPZUNKDASA-N 458.606 5.021 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813971121 WKKFTESYVQBDQY-JPYJTQIMSA-N 490.406 5.616 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#Cc3ccc(Cl)cc3)n[nH]2)c1 1814743149 AXVOGOQBNYZOTF-MHECFPHRSA-N 485.975 5.048 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)[nH]n1 1814827418 SGUJVINKSYCPEV-FQEVSTJZSA-N 476.606 5.003 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815244835 AHKAEOPAKMPHMA-URXFXBBRSA-N 478.618 5.462 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(OC)cc2Cl)n[nH]1 1815697500 SCXRNJYZMXFIGD-SIKLNZKXSA-N 471.001 5.075 30 20 JKED CC(C)c1csc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)n1 1816063012 LJEHGGDMFJYTGK-SFHVURJKSA-N 482.997 5.134 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)cc1 1816824815 ZOUUKBMGNMUIQL-MHZLTWQESA-N 491.595 5.302 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)[nH]n3)cc2n1 1818971613 HTBLNGQFGKTSTH-XMMPIXPASA-N 498.974 5.411 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)cc2c1 1819384872 CQECGVFAVZJCPO-DEOSSOPVSA-N 489.696 5.556 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)[nH]n1 1819557077 WFVMHAHGBLPICJ-RSNBEDGSSA-N 468.573 5.255 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820088882 BQWPUSGZNAFMMA-LAUBAEHRSA-N 487.560 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3F)n[nH]2)c1 1820203215 FXBAOFGRSKUPGV-GYCJOSAFSA-N 484.535 5.277 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)n[nH]2)C1 1821047847 REXKHSKFIYIYJD-XMMPIXPASA-N 456.546 5.474 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Br)c(Cl)c3)n[nH]2)C1 1821072174 NEOKILWRVDTCQM-GOSISDBHSA-N 477.790 5.098 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1 1821180524 GWTPBESYLHPACX-SANMLTNESA-N 477.568 5.178 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821204218 WODLUFIFOIYYDA-YVEFUNNKSA-N 453.345 5.374 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821278559 SLNIQYHNKUEWLG-DAXPHYLKSA-N 477.952 5.246 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc4ccc(Cl)cc4c3)n[nH]2)cc1 1821429223 SUFXAZCCYQNHNR-QHCPKHFHSA-N 484.947 5.103 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)sc2c1 1823210785 GBOGZFMMAXGXDE-HTAPYJJXSA-N 498.612 5.575 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2)CC1)c1ccccc1 1823625327 AOAMHFNFOUYDTR-LOSJGSFVSA-N 478.036 5.166 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)CC1 1823667051 UVPJIZLQNOCSCE-ZCYQVOJMSA-N 461.606 5.343 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823686288 VXHLPSLKIMNEOR-VWLOTQADSA-N 494.035 5.086 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1823811294 HETQUKMMXCNAHP-SANMLTNESA-N 463.666 5.327 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1824052671 RPWLPBSURHIQGR-GDLZYMKVSA-N 496.655 5.225 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1 1824139625 NSHLKWXSECGJPO-XMMPIXPASA-N 477.020 5.246 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCC3)CC2)cc(C(F)(F)F)c1 1824352596 JIYFTLZWCQUHTC-HSZRJFAPSA-N 475.555 5.391 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1824544718 NXZIHKBQGJALKS-PMACEKPBSA-N 474.564 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824806319 BZTIJZPZILSYLL-DEOSSOPVSA-N 484.681 5.249 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1824960812 WQADNVUIGNOJRP-QFIPXVFZSA-N 483.505 5.465 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccccc23)CC1 1828012386 RFGNQNIDJWHDJX-HHHXNRCGSA-N 481.596 5.024 30 20 JKED COc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c2c1 1828140464 JOWDZXJVRUNREH-PIIWDFAUSA-N 498.627 5.351 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828495282 HHOIFRYKKVNMLB-XMMPIXPASA-N 486.081 5.349 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1828885730 PUEHDYSVMVOXCL-VPUSJEBWSA-N 490.644 5.285 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906789 HYROKJYAFIJEEQ-OZXSUGGESA-N 482.741 5.125 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)c1Cl 1828999238 ILCOFQZEDWQGHD-SQEMJAKJSA-N 490.431 5.247 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829491012 RLTXRDNAOKHVSQ-GDLZYMKVSA-N 477.608 5.034 30 20 JKED C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)Oc1ccccc1 1829693325 ZDVNOFYRNDKOLJ-NBGIEHNGSA-N 494.035 5.303 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829749802 WSAKKCREVXZOAG-VWLOTQADSA-N 462.638 5.302 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1830015001 NWATURGQZUHCFT-VWLOTQADSA-N 474.992 5.240 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1830410600 QWSVREDCUCKBBM-WGEQDGIASA-N 493.570 5.139 30 20 JKED O=C(C1CC(F)(F)C1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601754 OQRSJVCQQOMSOX-MHZLTWQESA-N 490.594 5.365 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c1Cl 1830909015 QSWQFYFARMPXPT-QHCPKHFHSA-N 475.976 5.505 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cscc2C)CC1)c1ccc(O)cc1 1831924768 VEVQOHUQDNSYQQ-JYFHCDHNSA-N 478.658 5.193 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1832169897 VGWDOLFHEWAGLA-MBSDFSHPSA-N 497.064 5.021 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c1Cl 1832389787 IFXGLETUCLQZQQ-AHKKLNPASA-N 468.041 5.415 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173472 XLCROUNFECCOPP-UHFFFAOYSA-O 492.089 6.893 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c(Cl)c1 10178773 UARGFHDMELWMNL-UHFFFAOYSA-O 486.007 6.452 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)Nc3oc(C)c(C)c3C#N)c3cnn(C(C)C)c3n2)c(C)s1 14327505 NMPMINLRPYBPFK-UHFFFAOYSA-N 491.573 5.235 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl 21897355 XAUCIPXXKAHABT-UHFFFAOYSA-N 486.943 5.366 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc3c(c2)CCCC3)cc1 22693957 UPRUCVBRGBKRFC-UHFFFAOYSA-O 459.635 5.919 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccccc1CC 22732019 VTBMXHREVKMURV-UHFFFAOYSA-O 468.440 5.912 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)nnc1-c1ccoc1C 24173602 NXRSICVWKOJZQZ-UHFFFAOYSA-N 481.603 5.475 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 27080052 BHNOBMCJYSCQQD-KRWDZBQOSA-N 485.009 5.064 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccoc1C 45703677 ZBUHBOONGWARJO-GFCCVEGCSA-N 470.904 5.824 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 68734844 DUQZDWWCGDGLQG-UHFFFAOYSA-N 482.561 6.084 30 20 JKED COc1ccc(CCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC(F)F 110048231 RXGTTYHEMBKWDE-UHFFFAOYSA-N 454.498 5.292 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)sc2nc(C(F)(F)F)ccc12 195687814 MTQHNUGNVKRXDJ-LLVKDONJSA-N 451.882 6.377 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 248055607 OMBMMMMIAHGWSD-UHFFFAOYSA-N 467.660 5.634 30 20 JKED COc1cc(C(C)=O)ccc1SCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 488855926 FFLZYZPYYIQQSY-UHFFFAOYSA-N 459.571 5.170 30 20 JKED C=CCN(C(=O)Cn1ncc2ccccc2c1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 490435641 QFGDYTZXORATIE-UHFFFAOYSA-N 478.577 5.406 30 20 JKED N#Cc1ccsc1C(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1 497983929 WUBXXRYMTRHBOD-UHFFFAOYSA-N 467.856 5.166 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC 499701491 BHQGDUYHOULFSG-HNNXBMFYSA-N 458.070 5.281 30 20 JKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)c12 500052351 LFZNWYLDUNUMOT-UHFFFAOYSA-N 494.599 5.071 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nnc(-c2cccs2)o1 501131521 XWYNPNBBWGVCIR-ZDUSSCGKSA-N 459.984 5.661 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)c2)cc1 501473759 HHOUVDVODNEDSK-UHFFFAOYSA-N 457.530 5.775 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCOc2ccccc2-c2ccccc2)cc1C 501694012 CRDKPBHDWCAPAZ-UHFFFAOYSA-N 464.569 5.556 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1)c1ccccc1 502243077 MOPNMNGOEBWTQO-XMMPIXPASA-N 483.637 5.624 30 20 JKED Cc1c(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cccc1C(=O)Nc1ccccc1 502636595 KZQPZQXZXQZRNX-UHFFFAOYSA-N 481.556 5.002 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1 503096852 TYGHBEBPBZBNMF-AWEZNQCLSA-N 480.943 5.773 30 20 JKED COc1ccc(COCc2cccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)cc1 503259765 MSTOKHILFPZXFJ-UHFFFAOYSA-N 470.573 5.028 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)cc2F)c1 503493762 ZVMHQSSGYOLTQO-AREMUKBSSA-N 452.489 5.582 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510041410 CYFFMYGLGALJJD-ZCYQVOJMSA-N 490.003 6.217 30 20 JKED C[C@H]1CCCCN1Cc1ccccc1CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510161326 RGOLEGWKPRAJOS-SFHVURJKSA-N 492.674 5.398 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510206317 HMRVWECOBHYNMV-GOSISDBHSA-N 459.571 5.667 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)s2)cc1 510236523 MPADAVZEVMAQAE-QHCPKHFHSA-N 483.622 5.882 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3OC(F)(F)F)c2)c1 511466359 SHTJGLUEULBUTO-UHFFFAOYSA-N 454.408 5.031 30 20 JKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3s2)c1 513671085 GAZANMLAJXGCID-FQEVSTJZSA-N 450.523 5.648 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(Cl)c2F)nnc1-c1ccc(Cl)cc1Cl 514597800 VOSGAXGEPAZQJX-UHFFFAOYSA-N 471.772 5.961 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 515649596 RQLBLDWPZMQDTJ-PKTZIBPZSA-N 450.460 6.093 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 517530677 WYIAQQMKCYBKSX-JKSUJKDBSA-N 457.987 5.012 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cc(Br)cn4)cc3)n2)cc1 518516411 ATKHERSFRLNZLW-LJQANCHMSA-N 474.343 5.120 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nnn1-c1ccc(OC(C)C)cc1 520918829 UECQDZBAZFYSJF-UHFFFAOYSA-N 485.519 5.205 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 521682268 LWZPRPGDQDCHIU-UHFFFAOYSA-N 479.602 5.067 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 521808271 MKRKKRQRYWAXGX-UHFFFAOYSA-N 464.303 5.289 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3c(Cl)cccc3Cl)cc2Cl)c1 524431391 IEXSXOJWQRCYNA-UHFFFAOYSA-N 488.758 5.352 30 20 JKED C=CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)[C@H](C)c1cccc(-n2cnnn2)c1 595983878 CBYKCLGYNLMGGK-OAHLLOKOSA-N 499.427 5.411 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 603520665 FREPYNNZPNLKIG-UHFFFAOYSA-N 456.571 5.016 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)nc2)cc1 603737963 XVIUKQSYSSSHMI-UHFFFAOYSA-N 451.530 5.189 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc(Cl)c1OCC(C)C 603738841 WESKGCZVNDLTKE-UHFFFAOYSA-N 465.937 6.003 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603759193 XLARHJOYURCWJC-ILBGXUMGSA-N 487.987 5.637 30 20 JKED Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1 603898079 VZLAYISEIRCQPV-UHFFFAOYSA-N 468.357 5.265 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)sc2c1CCCCCC2 603996835 YQUWLTUJNCBNGX-UHFFFAOYSA-N 474.611 6.213 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 604119643 LMIRCHBEPXYUGE-KRWDZBQOSA-N 493.629 6.040 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](CCc3ccccc3)c3ccccc3)cn2)cc1 604222163 XWBZBFOIZAMDLC-AREMUKBSSA-N 476.536 5.174 30 20 JKED C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 604439886 NQDCEKGLPBAQSV-BGYRXZFFSA-N 485.609 5.352 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 604569066 FLNVDZCUPBYBPJ-UHFFFAOYSA-N 461.905 5.392 30 20 JKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cc(C#N)c(=O)c3ccccc32)cc1 609026448 YONFZKPNVPKTNI-UHFFFAOYSA-N 473.916 5.356 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 609060823 ODOPGCGNVAFRHS-UHFFFAOYSA-N 468.601 5.228 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 609061600 FDJGOPMZTVRZBA-UHFFFAOYSA-N 461.949 5.248 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1 609067029 ZOIVEEOCZVDSOE-UHFFFAOYSA-N 450.470 5.352 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 609369366 AZVBDZXGJHFKDM-MRXNPFEDSA-N 460.584 5.158 30 20 JKED Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609404219 KMUYDOVTWJJLDC-UHFFFAOYSA-N 463.525 5.052 30 20 JKED O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 618543370 QNFHQUVGCZNVIE-HZPDHXFCSA-N 491.407 5.350 30 20 JKED O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 619659054 OTZNZELWBPKVJG-BRPSZJMVSA-N 461.321 5.032 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nc4ccccc4c3=O)s2)cc1Cl 725858955 IUMOCIPVFSWTEG-UHFFFAOYSA-N 462.387 5.383 30 20 JKED Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 726081364 SAKUSTJVZJEONC-UHFFFAOYSA-N 450.608 5.640 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 726319584 LBCHPIAFZLDDOG-QGZVFWFLSA-N 474.904 5.130 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 726393117 LPKIONUNZLALED-YWZLYKJASA-N 494.444 5.056 30 20 JKED O=C(C[C@@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 726398084 AJSCSNFHLHLNES-QROGEYBXSA-N 489.441 5.097 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2sccc2C)cc1F 726410669 IBEQQTAXOBPJKR-HXUWFJFHSA-N 483.590 5.365 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(OC(C)C)cc1 726416182 SDWZPBAUVUZTAY-JOCHJYFZSA-N 469.607 5.243 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(F)ccc2F)cc1 726571570 XRZXBGJHHZWHFP-UHFFFAOYSA-O 484.979 6.398 30 20 JKED N#CCOc1ccc(CNC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)cc1 727676952 VGURGPSYXPEKEM-UHFFFAOYSA-N 465.340 5.229 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1OC 728186446 QITGFSWLDOIUTF-WEVVVXLNSA-N 459.980 5.568 30 20 JKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)n1-c1ccc(C#N)cc1 728269096 YXTYXDXPPUUHFU-UHFFFAOYSA-N 460.537 5.863 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1 728780753 YGUBXDFXIXENTI-NRFANRHFSA-N 469.010 5.557 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 729143933 SPOZQOAHJKABKR-GOSISDBHSA-N 488.997 5.405 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c1OC 729432512 JELMRJJBKMSEMD-QGZVFWFLSA-N 462.358 5.058 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 729558393 BYGHCZHBBUGWMO-QFIPXVFZSA-N 478.593 5.100 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)cc(OC)c1OC 729655172 HNUJLSKBEKPCPO-UHFFFAOYSA-N 480.483 6.050 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CCC)c2ccccn2)c1 729657354 RFEAIBMBHNRIMP-DEOSSOPVSA-N 484.021 5.388 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc2ccccc12 730710755 REFXIRPSEHOCQG-WZONZLPQSA-N 499.596 5.204 30 20 JKED Cc1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1C(=O)NC(C)C 731155482 HXVPLOHHWAXLAM-UHFFFAOYSA-N 454.162 5.114 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 743303825 CGWCIABFSLPZKX-DEOSSOPVSA-N 496.652 5.144 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 743315118 OTXGJDCBGTYGQT-VWLOTQADSA-N 490.604 5.994 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c1 743524078 GDUVKEPKBDIQRH-FQEVSTJZSA-N 455.486 5.027 30 20 JKED C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 744936749 WOTUYJYLXRSZRU-QMTHXVAHSA-N 453.297 6.039 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 745268274 ZEOLUXNJZMJLFI-UHFFFAOYSA-N 450.539 5.220 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(C3CC3)C2=O)c1 745990202 NJGPYTGBNXJFQA-FQEVSTJZSA-N 488.009 5.097 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cs2)cc1 750392423 QJGKLOAPCFVNFJ-KRWDZBQOSA-N 483.977 5.531 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2SCc2cc(C)no2)cc1 751141946 KYEPMNABQPEBOA-UHFFFAOYSA-N 471.538 6.200 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(Cl)cc1Cl 799221297 NUWWBVNIPOTJAR-GOSISDBHSA-N 464.374 5.176 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837744992 OUMBBPRBSIVBBV-MWTRTKDXSA-N 490.560 5.145 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@H](C)c2cccnc2)cc1 837914449 YVHBLEDKKJVGAK-KOSHJBKYSA-N 488.613 5.374 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1[C@H](C)c1cccnc1 838189729 ZHVCZJCXXSYABQ-KOSHJBKYSA-N 488.613 5.374 30 20 JKED C[C@@H](SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1 849191764 SAADEFBFVSNWKL-IPEVAPCJSA-N 476.577 5.034 30 20 JKED N#Cc1ccc(N2CCC(c3nc(-c4ccccc4OCc4ccccc4)no3)CC2)c(F)c1 904464624 OUEBABUMWUFKHX-UHFFFAOYSA-N 454.505 5.710 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)c3)C2=O)c(OC)c1 912771772 HXXNJJLXRXLJQN-XMMPIXPASA-N 489.597 5.173 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)cc1 915085494 BVQPQUHEMUFEQP-MUUNZHRXSA-N 495.604 5.728 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc([C@@H](C#N)c5ccccc5)cc4)nc(O)c23)C1 915087564 VHIXGSXWBWNTPU-VGSWGCGISA-N 482.609 5.748 30 20 JKED CCOC(=O)Cc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 915988492 XVODCOYUALEONW-LUAWRHEFSA-N 470.497 5.108 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(C2CC2)C1=O 916206164 XEOCECCLQVFVMM-FQEVSTJZSA-N 457.983 5.088 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cn(CCC#N)c2ccccc12 916273123 SWNPYHRPQBYSNU-UHFFFAOYSA-N 471.973 5.837 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)c(C)c1Cl 916928389 KHFMUTRYDNQWDI-INIZCTEOSA-N 461.736 5.411 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CSc2cc(C)c(Br)cc2C)cc1Cl 916939149 OXNZGFVTRWOQOM-CQSZACIVSA-N 481.799 5.168 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2cc(Br)ccc2OC)cc1 916956268 ZEQDXJDBEBJVSF-FOIQADDNSA-N 485.378 5.282 30 20 JKED COc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3-c3ccccc3C)s2)cc1 917027396 AXMMQRSJCPTPLP-UHFFFAOYSA-N 456.984 5.287 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1nc2ccccc2n1C(F)F 917040273 JPLJKPSGOGIXEC-HXUWFJFHSA-N 490.460 6.667 30 20 JKED C=CCn1c(SCC[S@@](=O)c2cc(Cl)ccc2Cl)nnc1[C@@H]1COc2ccccc2O1 917176523 ZPQQMNGAOPSFTD-FZEVHQGJSA-N 496.441 5.183 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)cs1 917562778 KIDCWNUZCWMEJI-UKTHLTGXSA-N 482.483 6.618 30 20 JKED N#Cc1cccnc1Oc1ccccc1N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 917601161 KQISACQOGYLMOK-HEHNFIMWSA-N 492.922 6.039 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1ccc2c(c1)CCCC2 917613261 NWDNBWYMCNIUHK-UHFFFAOYSA-O 481.428 6.355 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(SC(F)F)cc1 917652929 COHKRIQVHXQMRH-SFHVURJKSA-N 497.564 5.137 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cc3ccccc3o2)C1=O 917653131 JBSBNUOIYAXCKQ-GOSISDBHSA-N 475.542 5.015 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)c1 917662796 CRTANJYFSCTXCJ-OAQYLSRUSA-N 467.591 5.665 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C#N)cc2)cc1 917681240 LCZSJIVSSQILBX-VWLOTQADSA-N 498.608 5.290 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cccc(C)n3)C2=O)c1 917681379 POJVLWHKIIHHQU-JOCHJYFZSA-N 495.004 5.213 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704403 UEQSKTJXECMMFU-KSFYIVLOSA-N 492.601 5.350 30 20 JKED CCCOc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)CO2 920068915 FRWJQFPJIHBSLO-WJDWOHSUSA-N 468.962 5.929 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3c(C)noc3C)C2=O)c1 920354222 AUHNXPKQGSHODP-JOCHJYFZSA-N 462.575 5.069 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c(Cl)c1 920358190 YYUKEPYEFGLWOA-NRFANRHFSA-N 497.020 5.722 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2Cc2ccc(Br)cc2)c1=S 920758989 ZWHYIWDSUZHSON-HXUWFJFHSA-N 470.440 5.089 30 20 JKED COc1ccc(-c2noc(CCCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)n2)cc1 920805310 BOGHWBMHCKGRGH-MRXNPFEDSA-N 480.496 5.346 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1C 920838576 GLOOBKYWKZRJSD-UHFFFAOYSA-N 470.554 5.614 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 920876318 HQRZGBPQSYDWNL-MRXNPFEDSA-N 456.926 5.641 30 20 JKED Cc1c(NC(=O)c2cccc(N=Cc3c(O)ccc4ccccc34)c2)c(=O)n(-c2ccccc2)n1C 920943553 MQRYBPPYAQTGPT-UHFFFAOYSA-N 476.536 5.346 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)cc1 1785880816 OUJSBGBORVVLSG-SVBPBHIXSA-N 479.580 5.047 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)CCC2)cc1 1786103341 REOPOXZBPGFNOZ-UHFFFAOYSA-N 493.560 5.128 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OC)CCC2)cc1 1786366842 YQPUBDJMINFOGG-UHFFFAOYSA-N 456.970 5.079 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)Cc3c(C)noc3C)cc2)CCC1)c1ccccc1 1786716811 YGKVUQQKOWEJIM-VWLOTQADSA-N 469.585 5.165 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)F)c4)cc3)CCC2)c1 1787019768 ZTOGPDAFNAFLOU-QGZVFWFLSA-N 474.511 5.708 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)cc2)CCC1 1788375854 TYDGWRCUIBCTRV-HNNXBMFYSA-N 467.541 5.093 30 20 JKED C[C@H](C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1)c1ccc(O)cc1 1788649929 KEZOJNWKCYVTKQ-JKGDOXCYSA-N 474.582 5.130 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788800782 OUGUECQLKZYYMV-UHFFFAOYSA-N 469.585 5.479 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5n4)cc3)CCC2)c1Cl 1788962271 RQCKWMRAIXRYTK-UHFFFAOYSA-N 481.943 5.216 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CCOC3)CCC2)cc1)c1ccccc1 1789600515 HTCUFBIAWBMHRI-ATIYNZHBSA-N 458.602 5.134 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4occc4NC(=O)OC(C)(C)C)cc3)CCC2)C1 1790188370 LCMIABBRLNKCKA-UHFFFAOYSA-N 465.550 5.341 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nscc45)CCC3)cc2)c1 1790258833 PDHFLXBPBALUQM-UHFFFAOYSA-N 452.539 5.229 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(Cl)cc5)CCC4)cc3)c2c1 1790835900 MCYPVATXDSGWNF-UHFFFAOYSA-N 483.959 5.078 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)CCC2)cc1 1791583976 HEBGYFBJFRIAJD-UHFFFAOYSA-N 458.480 5.265 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C4\C(=O)Nc5ccccc54)CCC3)cc2)c1 1792125446 ZTNJGIPUUPCHOH-CXTZRUPXSA-N 490.563 5.097 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(OC)c1)C2 1792571932 QOWAULVDTPYLPF-KOUNCHBCSA-N 461.606 5.001 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)c1 1792940314 ATBLRWAFCUPANB-BKFWDETESA-N 492.579 5.184 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1793575644 BYBYCCQDPQCWHN-REPLKXPHSA-N 483.436 5.015 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)c(F)c(Cl)c1)C2 1798420860 PWAHPZXXWWZGFB-BCDXTJNWSA-N 483.487 5.435 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)cc(Cl)c2[nH]1 1801010946 VQJRCWWJRMPVRQ-VDNDLQMASA-N 478.818 5.048 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](c2ccc(F)cc2)C(C)C)cc1C#N 1802148399 AHRJXYKDKYVHKU-SFIUMABJSA-N 491.607 5.176 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)c1 1803902784 PMVPJSHYENAVEQ-CODKJTEISA-N 490.818 5.839 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)CCCc4ccc(C(F)(F)F)cc4)C3)CC2)c1 1805937476 CTVYGUDJOUZWHG-UHFFFAOYSA-N 497.561 5.445 30 20 JKED CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1)c1ccccc1 1806274029 RMXPRQWICMYPQR-JCYRPKCISA-N 487.003 5.120 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1806539659 XPTYXGMEBHDVFW-DHLKQENFSA-N 485.550 5.117 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1808864639 XQHUYUFRMGAFDH-MDQGVCTMSA-N 498.627 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)CC1 1809276188 CHLZNHNPHMBREU-JOCHJYFZSA-N 462.556 5.248 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)CC1 1809632857 ZZONEWDZSBBFQF-AYRHNUGRSA-N 477.693 5.588 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1810183531 WRAHJZYTNMLICJ-DWXCWOAGSA-N 451.655 5.318 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)c3c(Cl)cccc3Cl)[C@@H]2c2cccnc2)c1 1811725659 JMMUDBUZZOTYDS-GAJHUEQPSA-N 497.357 5.033 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812514840 VLJFDVIYTIPNNB-NQHRYMMQSA-N 486.081 5.100 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@H]1c1cccnc1 1812589546 HCAHPCYYCSLWNV-PTJQVGQKSA-N 485.603 5.343 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1812903468 IFZRCAXPQRYQRA-XZFMWLAQSA-N 479.024 5.143 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1813868338 LVBRCGLZCAYUGD-GVCORALISA-N 487.003 5.304 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813869011 WJDHWPJQPDPGMJ-RNOQYBQRSA-N 494.639 5.541 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1814570139 QSIRMDRKVUMIOM-QFIPXVFZSA-N 457.534 5.058 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814740854 SBHXIEVLXNCPQC-YVIRBKRRSA-N 499.640 5.521 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCN(c3ccccc3)CC2)n[nH]1 1814815288 VZBQBYQTLYAAHT-XMMPIXPASA-N 477.653 5.311 30 20 JKED O=C(/C=C\c1c[nH]c2ccccc12)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1815788006 VQBBZOYOWHWLAR-HJDBIOGLSA-N 499.596 5.097 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCOc2ccccc2)n[nH]1)c1ccccc1 1816790379 UBMXIAYMCDQFJW-RSXGOPAZSA-N 484.600 5.068 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1 1816823652 HYIWLRUDUXRRDN-MHZLTWQESA-N 491.595 5.302 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(CC)nc3ccc(Cl)cn23)n[nH]1 1817958131 PYNQMTRFJTUPKK-HXUWFJFHSA-N 497.043 5.572 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3nc(C)ccc3c2)n[nH]1 1818675463 XBUFMRUULYTTHS-QPPBQGQZSA-N 457.578 5.341 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNc2ccccc2C)[nH]n1)c1ccccc1 1819517999 DBTAVKXUTLHYCH-OZXSUGGESA-N 483.616 5.020 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C(F)(F)F)ccn3)n[nH]2)c1 1819861260 FXECADVSXRLIRJ-QVKFZJNVSA-N 496.493 5.070 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237541 NDFKIAYMHYVPMX-UUOWRZLLSA-N 476.552 5.113 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1 1820911361 YYQHKCIGEBVZFX-JAXLGGSGSA-N 499.656 5.008 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1820973422 IZBJPAXNDLZYJC-VQIMIIECSA-N 467.595 5.040 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1)C(F)(F)F 1821127617 OVFJWDUNOXOFLM-OAHLLOKOSA-N 494.823 5.506 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c(C)c1 1821277165 LCRHRUFSBHOTEH-JOCHJYFZSA-N 491.979 5.180 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c1 1821325608 KIIXNGQXLNKWQK-DEOSSOPVSA-N 453.546 5.087 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC#N)[nH]n2)cc1Cl 1821339105 FBHIBYJAXPTXLX-SFHVURJKSA-N 478.380 5.113 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1821924666 GLZZSFQMUWZULK-SJKOYZFVSA-N 453.345 5.374 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)CC1)c1ccccc1 1823727741 NRIZQQPPLUXAIV-ILXJWPTISA-N 483.656 5.220 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1824142254 KBMOOELSZWBWJL-AREMUKBSSA-N 463.622 5.178 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1824510685 SQVFXBLDSOEJSI-HRAATJIYSA-N 486.962 5.183 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)CC2)c1Cl 1824645305 DIUMWBBZAVOSMS-LEWJYISDSA-N 477.983 5.270 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1827168003 NNNCOJGEBJYVAK-GDLZYMKVSA-N 496.655 5.225 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)c1 1827329290 ZKCCJISEMFTHIB-CLJLJLNGSA-N 479.690 5.245 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828139714 QIOCSQDHVVZJKF-ZEQKJWHPSA-N 463.622 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2O)CC1 1828830514 OIPPUYIONCDCPX-OFNKIYASSA-N 450.579 5.140 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1828830650 VWJPSLSWMAOZRK-ZEQRLZLVSA-N 489.701 5.022 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1828890731 NVCXLAIXRIOIIC-BWKNWUBXSA-N 495.664 5.170 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1829067231 GCFSZCYLLSFZOZ-QHCPKHFHSA-N 499.099 5.776 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1829099922 LSQAAFLWBJLGAG-VWLOTQADSA-N 475.658 5.201 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c1 1829952272 HDCUTJXJPDTCPM-MUUNZHRXSA-N 492.623 5.476 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)nc2ccccc12 1830360610 LSAJHIFEKKCNOH-MUUNZHRXSA-N 498.602 5.030 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1830810733 PENYOTCIOPAHQA-DEOSSOPVSA-N 466.622 5.003 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Br)cc3c2)CC1 1830873072 QFEMYQCJDZFRCO-XMMPIXPASA-N 496.449 5.034 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c1Cl 1830909013 QSWQFYFARMPXPT-HSZRJFAPSA-N 475.976 5.505 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978712 UVIZCIUCFAPVRA-JYFHCDHNSA-N 493.673 5.616 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)s1 1831141752 URLCSDXQDNLNMQ-QHCPKHFHSA-N 478.662 5.295 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)CC1 1831229426 FVUPYOLVFNOXSP-GJZUVCINSA-N 452.639 5.232 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1831442267 QHOGYVZXWQUZIY-LAUBAEHRSA-N 452.973 5.275 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1831445028 VWSOJWHGPBKQQK-XMMPIXPASA-N 481.587 5.502 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1)C(F)(F)F 1831450123 BSKVVAVGTBRARB-HSZRJFAPSA-N 473.539 5.342 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)S)CC2)cc1Cl 1831844516 ARWUTMHXVXORPN-FOIQADDNSA-N 487.493 5.332 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)CC1 1831852237 XEIWKRBLPOPXLF-VWLOTQADSA-N 495.664 5.379 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832717551 OAEBBURMQFZGOX-IIBYNOLFSA-N 486.962 5.183 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1832918989 LXMGRUPKYJRORN-PKTZIBPZSA-N 491.717 5.292 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCCCCCCCCC(=O)OC)CC2)C1 1832933884 YYJWIKDVUGBIFJ-SANMLTNESA-N 488.713 5.646 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)CC1 1837014851 UTWSXFCWMNKBNS-YABDQXBESA-N 484.603 5.122 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)CC1 1838223890 WSIRDIDOVSKCIQ-QGZVFWFLSA-N 475.054 5.379 30 20 JKED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CCC[C@@H]4CCCC[C@H]42)C3)cc(C(F)(F)F)c1 1845513497 SWXZGXAHZGMNAM-VLCRHTCISA-N 473.539 5.001 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)C3)cc1C#N 1846877374 RVPHIHMQURLVGC-VWLOTQADSA-N 494.035 5.256 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccccc2CSc2ccccc2)cc1 1847215590 VNRXHXMCYINSEU-NSOVKSMOSA-N 495.648 5.299 30 20 JKED N#CC1(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)CCCCC1 8750545 UAKXFYWFNOKOPF-UHFFFAOYSA-N 469.973 5.162 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccco4)n3C)c2C#N)C1 10014354 ROJODAXXSQWICD-CQSZACIVSA-N 469.636 5.280 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(C)c2)c1C 10833057 QQQBVKFHCVIZKC-UHFFFAOYSA-O 471.002 5.108 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(Cl)cc1Cl 11077988 RVHRDSZAQGWDCR-UHFFFAOYSA-O 464.463 6.573 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 16657837 ZBCWGNXZCYQJEW-UHFFFAOYSA-N 459.921 5.416 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccc(OC)cc1 16865031 FKHGRGHQQUCFER-OAHLLOKOSA-N 487.423 5.330 30 20 JKED C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 16868540 VNRPYXFBEWYSAJ-ZDUSSCGKSA-N 488.400 5.490 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2ccc3cc(OC)ccc3c2)c1=S 16874881 AQCSRFXMZSUBFS-UHFFFAOYSA-N 460.603 5.527 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nnc1-c1ccc(Cl)cc1 22160237 NTNNZXHJVFHJIH-UHFFFAOYSA-N 496.061 6.023 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 22564428 HNPPOYVYIVJBHM-PEBXRYMYSA-N 492.432 5.428 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NCCOC)cc1 22791631 RUHDAANWCGBHSL-UHFFFAOYSA-O 454.443 5.359 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2sc(C)c(C)c2c1=O 26022645 BDUCCHLCPKIKCZ-KRWDZBQOSA-N 492.651 5.353 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc3cn[nH]c23)nnc1-c1ccc(Cl)cc1Cl 26913965 RXMQFYLGRFWPJF-UHFFFAOYSA-N 459.362 5.045 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc3c(c2)CCCC3)c1 28793371 HFTHUKCKENXXBU-UHFFFAOYSA-O 476.622 5.060 30 20 JKED COc1ccccc1[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)N1CCCC1 36755303 QZFSRUSOHVOLKF-HSZRJFAPSA-N 457.599 5.285 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nnc1-c1ccoc1C 36855512 CRCVVBSODNWLJX-UHFFFAOYSA-N 479.631 6.028 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 71932901 HTSAKPALYSEXST-UHFFFAOYSA-N 471.969 5.825 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 97543294 LTVIDAKUSYKIFJ-OAHLLOKOSA-N 450.882 5.138 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 105915518 KUBIGANUPYDYCG-UHFFFAOYSA-N 461.587 5.028 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(C)=O)c(SC)c2)nnc1-c1ccc(Cl)cc1 107833816 MWOWSSGIKBGVDQ-UHFFFAOYSA-N 473.023 5.440 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc(Br)c1OC 108006425 VHFGYYXXPDXVNT-BJMVGYQFSA-N 471.351 5.065 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)ccc1SC(F)F 214925019 MCFOZLQCHHZESH-ALCCZGGFSA-N 496.507 6.325 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nnc1-c1ccncc1 255929988 SDDNUGRDNBBIIB-UHFFFAOYSA-N 476.631 5.576 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nnc(-c4ccccc4)o3)cc2Cl)c1 303135481 CTLJVXQOMMKHIL-UHFFFAOYSA-N 472.932 5.802 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 483382175 WDFNTLQVHSUZFG-RUZDIDTESA-N 499.586 5.247 30 20 JKED N#CC1CCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)CC1 488739731 MNNCKATUKDVCFL-UHFFFAOYSA-N 450.995 5.232 30 20 JKED Cc1sc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)c(C#N)c1C 503135900 IQPMWTIUGLKKIR-UHFFFAOYSA-N 460.268 5.395 30 20 JKED Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1 503149696 DZPKMNUZQOIWIP-UPVQGACJSA-N 486.959 5.148 30 20 JKED CC[C@@H](C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccccc1 504313018 DJQLLPZDVCUMGE-MOPGFXCFSA-N 463.607 5.352 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 504712155 NAZXYLAXQUVOMB-UHFFFAOYSA-N 461.565 5.694 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 510537287 HVTFJNLIHDJNOS-UHFFFAOYSA-N 481.478 5.555 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1OCC(=O)N1CCCC1 510653075 YYODBQYECDTKHP-RUZDIDTESA-N 498.583 5.625 30 20 JKED N#Cc1ccc(CN2CCC3(CC2)Nc2ccccc2C(=O)N3c2ccc(F)cc2Cl)cc1 513045348 CSRDCPSAMSRXLW-UHFFFAOYSA-N 460.940 5.415 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1 513728212 RPYGZUPVFFUUMF-UHFFFAOYSA-N 469.497 5.795 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1C 521307668 NPOGOIXFMIESHJ-UHFFFAOYSA-N 477.996 5.372 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2c(F)cccc2F)cs1 524012374 TVDSNFLONQXXFL-LBPRGKRZSA-N 467.478 5.431 30 20 JKED COc1ccc2cc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)ccc2n1 524066900 NJVNJVPAMZWWKQ-UHFFFAOYSA-N 468.538 5.098 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1SCc1cscn1 524422897 MJXYHNNHKPYEEE-UHFFFAOYSA-N 471.607 6.447 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc(Br)c3c(c2)OCCO3)cc1 553262563 BGAHJGRTPKJBHN-UHFFFAOYSA-N 495.398 5.314 30 20 JKED C=CCOc1c(Br)cc(CNc2cc(-c3ccc(Cl)cc3)nn2CCO)cc1OC 589650133 HPYQFVYQBYGIFX-UHFFFAOYSA-N 492.801 5.144 30 20 JKED N#Cc1ccc(N2CC[C@H](Sc3nnc(-c4ccccc4Cl)n3Cc3ccccc3)C2=O)cc1 589696797 CCVMBGOZJTXJFB-QHCPKHFHSA-N 486.000 5.416 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 590880758 TXAQQHPRUPHXJZ-MRXNPFEDSA-N 470.476 5.780 30 20 JKED C=CCN(C(=O)COc1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458890 LAGABHVGRUNQTQ-UHFFFAOYSA-N 474.336 5.079 30 20 JKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 603817910 OJUYPRDUZFNTRE-HSZRJFAPSA-N 460.965 6.056 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(OCc2cccnc2)cc1 603831664 ZWICEVCKQWZCBG-JOCHJYFZSA-N 492.579 6.188 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)c2)cc1 603953726 ONSNQHUCNINUMR-QFIPXVFZSA-N 479.458 5.094 30 20 JKED Cc1cc(-c2noc(CCC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)n2)ccc1F 604115951 MUKWCSMUIROJRH-UHFFFAOYSA-N 472.495 5.669 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)cn2)cc1 604221607 LQWFOWCFVYMALI-VWLOTQADSA-N 482.927 5.243 30 20 JKED CC(C)N(CCC#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 608814073 VXAOBNBRTYZEOU-UHFFFAOYSA-N 496.032 5.500 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 608942127 NLUHTRTUPDCTGZ-UHFFFAOYSA-N 484.581 5.824 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)c1 609064834 LLVCWGFVBKXOEB-UHFFFAOYSA-N 480.421 5.733 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1 609185209 RTRNWBCGERDYNJ-UHFFFAOYSA-N 471.504 5.313 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCCOc1cccc(Br)c1 609387534 MTZSVDDZHFASGY-OAHLLOKOSA-N 465.438 5.452 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1ccccc1 609434970 HWOLHVYXIYCEMJ-UXHICEINSA-N 475.614 6.551 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 609439401 NOPZAGJIDTXNKA-KBPBESRZSA-N 450.391 5.246 30 20 JKED O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618464548 IZXNCGZVAUKGMG-OCAPTIKFSA-N 463.749 5.110 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 642209595 AGVKHZNPKCOOPU-QGZVFWFLSA-N 483.317 5.032 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C(C)C)cc2)cn1 726117110 RTJYOYRWEWLUIW-HSZRJFAPSA-N 475.618 5.187 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C(F)(F)F)c1 726393098 LMMFUGXJPQUPLO-OXQOHEQNSA-N 493.551 5.399 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C[C@@H]3CCCO3)C2=O)c1 726416450 WMBJJHSWDFHCGO-UPVQGACJSA-N 495.645 5.230 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\[C@@H](C)c1cccs1 726419074 CAOAZOZXOQPMFB-XKXIVVFUSA-N 468.431 5.631 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCC(C)C)C2=O)c(OC)c1 726422262 UXYUXCAJZUVBGG-NDKFBNENSA-N 489.663 5.201 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)sc1-c1cccc(Cl)c1 726731519 KRPYNHYTUSNQCV-LJQANCHMSA-N 465.962 5.040 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)o1 727324195 JJGBPGHXXHLDBY-UHFFFAOYSA-N 486.572 5.187 30 20 JKED N#Cc1cccc(COc2ccc(NCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2Cl)c1 728051815 LWMTXJHSLUHOOM-UHFFFAOYSA-N 461.865 5.361 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)Cc1ccco1)c1cccs1 728429001 DUUCXKCPSZDUAM-KIZQHFIJSA-N 492.626 5.234 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1-c1cccc(Br)c1 728704649 IOPXBCRTKUQTJT-UHFFFAOYSA-N 494.776 5.580 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(CCCCC#N)C2=O)cc1 728777065 XVSWMKYHAKGHPD-HXUWFJFHSA-N 488.535 5.668 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)cc1 728778879 VCVHEMGGOFJSEX-XMMPIXPASA-N 491.661 5.530 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c1 728780093 NQOSPFJGRVNFQY-JOCHJYFZSA-N 466.582 5.405 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2scnc2C)C1=O 729144068 UMESXNDWEBMNPW-FQEVSTJZSA-N 494.642 5.237 30 20 JKED Cc1csc([C@](O)(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(F)(F)F)n1 729320452 XXVDOPKWKPGKFT-DYESRHJHSA-N 479.911 5.539 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@@H]2CCc3c(C)cccc32)C1=O 729630866 FFGYPIRIIYATAR-MOPGFXCFSA-N 462.402 5.057 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O 730462464 YHBMXMIPMSEUSI-LJQANCHMSA-N 461.946 5.001 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2cocn2)C1=O 730709822 CKWYVTPXCIQVHB-QFIPXVFZSA-N 492.601 5.241 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O)Nc1ccc(F)c(Cl)c1 730716402 WQXXCOIGFHJFSL-SFHVURJKSA-N 493.347 5.281 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(Cl)c1 730720259 PIQHWOXRTYLOOP-RTWAWAEBSA-N 492.004 5.086 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCOCC3CC3)C2=O)c1 730945309 PUFUNEKIJCOXRC-RHWZNEOSSA-N 485.675 5.181 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1Cc1ccccc1 731063100 HQNIHXCPMOCJNE-LJQANCHMSA-N 461.587 5.343 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c12 731070555 IGCWMBISGUNMGW-INIZCTEOSA-N 486.553 5.246 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(F)(F)F)c1 731304261 NDPGDJBOPKQPLV-GOSISDBHSA-N 465.497 5.027 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c1 731305632 FJAVYZOISXPVGW-OAQYLSRUSA-N 465.600 5.231 30 20 JKED C[C@@H]1CCCC[C@@H]1OCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310433 IAUNRYPAVOJNLK-VSDWSMLSSA-N 499.608 5.087 30 20 JKED CC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4C#N)c3)SC2=S)cc1 731372573 YVOUFUQHXOBXDD-OYKKKHCWSA-N 470.575 5.746 30 20 JKED Cc1nnc(SCc2c(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)oc3ccccc23)s1 742956188 OTRLVJMCKWREEK-UHFFFAOYSA-N 498.973 5.206 30 20 JKED Cc1cc(COc2ccc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)cc2Br)on1 743469632 QZLCVUBHDOFKBI-MRXNPFEDSA-N 473.298 5.003 30 20 JKED Cc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)c(C)n1-c1nccs1 744807150 MWRAPQBYMLOVAE-UHFFFAOYSA-N 452.609 5.015 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)cc2F)C1=O)Nc1ccccc1F 745583289 DMJGEKCAQHRLHL-OAQYLSRUSA-N 487.478 5.404 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCOC(C)(C)C)C2=O)c1 746695339 FGDNOXPCAAKKIU-OAQYLSRUSA-N 471.598 5.218 30 20 JKED C=CCc1cc(/C=C(/Cl)c2nc3cc(-c4ccc(OC)cc4)sc3c(=O)[nH]2)cc(OC)c1O 747063118 BJGAEVDAIDEQLF-WOJGMQOQSA-N 480.973 5.840 30 20 JKED C=CCN(C(=O)C[C@H]1OC(=O)c2ccccc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747544171 GWXSFIXSVBUQEW-LJQANCHMSA-N 459.354 5.938 30 20 JKED N#CCOc1cccc(NC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)c1 748180896 LYULZPGAJMLYTG-UHFFFAOYSA-N 460.843 5.188 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)cc1Cl 749337930 JEPJMTWWNLHZBX-QGZVFWFLSA-N 469.950 5.220 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 750302924 OMGDMQUKMAUPGU-YADHBBJMSA-N 455.436 5.096 30 20 JKED Cn1ccnc1[C@@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 759113881 JTEUWCVNJORZGM-RURPWVQCSA-N 471.376 5.516 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc12 852985582 MYESPGMSWCXNLL-SFHVURJKSA-N 490.560 5.086 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cc2sc(C)nc2-c2cccs2)c1 912658084 OJKHRPUBGWRXKM-KRWDZBQOSA-N 467.616 5.218 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(NC(C)=O)c1 913117672 CORVXZGBQJCJTP-XMMPIXPASA-N 488.613 5.559 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccccc1 914545650 FWIMMGOHVFZWNN-DEOSSOPVSA-N 489.597 5.002 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@@H](C)Cc1ccco1 914689965 FNXXGQVCNFMQDV-YADARESESA-N 491.613 5.497 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 915085950 DCZNWIGZKOYKOD-HSZRJFAPSA-N 464.491 5.611 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 915088800 ZRRWXFYEYKLQSL-HXUWFJFHSA-N 465.347 5.764 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2ccccc2n1C(F)F 915104645 VFKNRRDEGKILHV-KDOFPFPSSA-N 477.298 5.219 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 915104866 VRVARXPBJPFVSR-PBHICJAKSA-N 491.922 5.697 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(OCC#N)cc2)c1 916152021 JXZDTTQBIPSMQE-UVTDQMKNSA-N 465.509 5.355 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CCCC2)C1=O)Nc1ccccc1Br 916204920 KJROQADSJLGRTI-IBGZPJMESA-N 472.408 5.352 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccccn3)C2=O)cc1 916208993 CBYQFKRGEPUSMI-QFIPXVFZSA-N 492.988 5.098 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc(Br)cc3)o2)cc1OC 916326347 OMWVHCTZMICTNL-UHFFFAOYSA-N 485.363 5.156 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)o2)c(Cl)c1 916546446 RFZIIPHBHJRWKA-UHFFFAOYSA-N 474.329 5.928 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 916902828 JZHUCKXRMHSHPS-SFHVURJKSA-N 493.922 5.318 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916905352 NVTDRFSEUYTYTB-FQEVSTJZSA-N 450.947 5.713 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907664 KDDLYOKXKMUWGX-XMMPIXPASA-N 482.515 5.311 30 20 JKED Cc1oc(-c2cccs2)nc1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916911136 VXSYLTMJHOAUKO-GOSISDBHSA-N 457.511 5.394 30 20 JKED N#C[C@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 916944680 KVWKEBWQIDDBAJ-CYBMUJFWSA-N 469.300 5.005 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1)c1ccc(Br)cc1 916974153 FGUKFTTYIFMUPI-WOJBJXKFSA-N 482.403 5.325 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1 916974165 FOVCWHKJBUMKTQ-OAQYLSRUSA-N 485.638 5.604 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\c2cc(Cl)n3c(nc4ccccc43)c2C#N)cs1 917560467 ZROVHBUFCNPQPT-TWGQIWQCSA-N 487.947 6.463 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c1 917673217 BKAZJVGIONNGGO-QHCPKHFHSA-N 494.567 5.446 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(F)(F)F)c1 917714895 SWYRUNDLHOTQFN-GOSISDBHSA-N 467.488 5.472 30 20 JKED C=CCN(Cc1ccccc1F)Cn1nc(-c2ccc(F)cc2)n(C[C@H]2CCCO2)c1=S 918182413 PXVAMQJHOOHLPX-OAQYLSRUSA-N 456.562 5.184 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918671098 NBWRVNRSIQGICL-STQMWFEESA-N 471.804 5.235 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CSc1nccn1-c1cccc(Cl)c1C 920105384 FANGHMVDCDOPGV-KRWDZBQOSA-N 462.962 5.308 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@H]2c2ccccc2)c1 920353255 FHBJEBXREPKBQC-QQSVUBKYSA-N 491.657 5.072 30 20 JKED N#C[C@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc(-c2c(F)cccc2F)cs1 920805670 FEUCSWZOQKANNK-OAHLLOKOSA-N 450.470 5.337 30 20 JKED Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1 920806222 IWQBEAMKNKCYEF-INIZCTEOSA-N 483.590 6.636 30 20 JKED N#C[C@H](C(=O)Cc1ccc(F)c(Br)c1)c1nc(-c2c(F)cccc2F)cs1 920807048 WPMVTKVOTMBYFV-LLVKDONJSA-N 451.267 5.409 30 20 JKED C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 921182630 MILQWTWAAUJTTO-CQSZACIVSA-N 483.402 5.336 30 20 JKED CCOc1cc(/C=C2/Cc3c(Cl)cccc3C2=O)ccc1OCCn1c([N+](=O)[O-])cnc1C 921263321 BMJSFGYNJLPUKS-BOPFTXTBSA-N 467.909 5.053 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CCC[C@H]4CCCC[C@@H]42)C3)c1 1782972313 DPXLFWNTSFOVJY-TXYTYXDCSA-N 491.676 5.048 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C5CCC(CC5)N4C(=O)OC(C)(C)C)CCC3)cc2)C1 1785810486 NCDNDUYTECETFC-TVNWEXPRSA-N 493.648 5.265 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C34CC(c5ccccc5)(C3)C4)CCC2)cc1 1786369070 QGEJPXGGIMYDCD-UHFFFAOYSA-N 458.602 5.225 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1786373929 SLVNUAQMLAXJDI-QGZVFWFLSA-N 463.965 5.227 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1 1786546677 SFDZGMQLPDWJCY-IBGZPJMESA-N 487.984 5.150 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786575663 FOWORAFUXNPWFD-SIKLNZKXSA-N 469.626 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C[C@@H]21 1788734121 MSIBIUBLOJFKDJ-BIHRQFPBSA-N 475.073 5.052 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)/C=C/c4c[nH]c5cc(OC)ccc45)cc3)CCC2)C1 1789119798 GCASTHKSYFTCIU-NYYWCZLTSA-N 455.558 5.290 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCCC3(F)F)cc2)CCC1 1789163915 TWONZLBHTPBNDA-QHCPKHFHSA-N 452.517 5.021 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)c3ccccc3n4CC)[C@H]2C1 1789277022 BZHREGHHWCSQQC-XZQSQWLPSA-N 499.655 5.176 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)c1 1789327577 SHROLKYIBAGZQO-UHFFFAOYSA-N 476.536 5.177 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cn4c(F)cccc4n3)CCC2)cc1 1789509808 KCAWEULAUGXOEG-UHFFFAOYSA-N 490.655 5.272 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)ccc1Br 1789576036 NJQWSHIIVFLVBZ-JFLMPSFJSA-N 494.389 5.217 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccn(C(F)F)c3=O)cc2)CCC1 1789678854 RZZOKXZRXUPTBH-UHFFFAOYSA-N 499.634 5.042 30 20 JKED Cc1cc(Br)sc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1 1790151423 FADOSNFINFKVPN-UHFFFAOYSA-N 483.391 5.080 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(NC(=O)C5CC5)cc4)cc3)CCC2)cc1 1790594273 CHRJOJVMEMWNQK-UHFFFAOYSA-N 492.579 5.163 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@]4(F)Cl)CCC3)cc2)cc(C(F)(F)F)c1 1790787360 IAEHDUUMXPSMHY-GCJKJVERSA-N 479.861 5.249 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H](c3ccc(Cl)cc3)N(C)C)CCC2)cc1)C(F)(F)F 1791305662 XPNDWVCCOQOKGH-FQEVSTJZSA-N 479.930 5.195 30 20 JKED Cc1cc(C(N)=O)cc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124736 FZMLWRYIUGQSNF-FQEVSTJZSA-N 494.595 5.091 30 20 JKED COc1cccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@H](C)C#N)c5)cc4)CCC3)c12 1792127332 WEKQREFGVWKVHQ-LJQANCHMSA-N 492.579 5.865 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Br)cccc1-c1ccccc1)C2 1794073782 KQPZFGPIITUMCN-ACDBMABISA-N 499.474 5.287 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1802498420 VPNUNTIHMDOTLI-URXFXBBRSA-N 487.566 5.341 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c(OC)c(C)c2)[C@@H]1c1cccnc1 1802499754 IRHOGWOIRRIEGY-LADGPHEKSA-N 463.622 5.019 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)CCc2cccc(C#N)c2)[C@H]1c1cccnc1 1802958528 QJJZUPVWLISVCV-GGXMVOPNSA-N 488.676 5.588 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1803077969 OFRNOVAQXVOJKX-LBNVMWSVSA-N 482.628 5.473 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C2)CC1 1806489979 VKKZRBHVNOBWGR-BQYQJAHWSA-N 470.482 5.161 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810238774 ATOOUBPNPPHVEO-QYFUJJLASA-N 477.674 5.694 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1810500019 KVDWNUKIRGVTJR-CYFREDJKSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1810500272 NVOFVWLIKXXOAE-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1810503463 QTZGGKBYFBVRFT-REWPJTCUSA-N 454.014 5.355 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c1Cl 1811424270 HLXKSRBGVNVFLO-AMGIVPHBSA-N 499.014 5.119 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3CSc3ccccc3)[C@H]2c2cccnc2)C1 1811689236 IOPMMZQIXJKINU-NEKDWFFYSA-N 497.664 5.660 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811722361 QTMKHHJSAAVVIC-IHTKTJBKSA-N 495.623 5.962 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811748955 GUQGCQNCFITFMS-SBUREZEXSA-N 497.357 5.033 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1811954611 LBOHTNUGLKXTNJ-IXCJQBJRSA-N 489.736 5.576 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1812806028 PKVCPVQATBVGTE-LEAFIULHSA-N 459.634 5.136 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)[C@@H]1c1cccnc1 1813231846 YOKONRIAPFGMDO-POURPWNDSA-N 497.614 5.325 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813973613 XHAMUWHXGMNPMS-PMAPCBKXSA-N 490.406 5.616 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)[nH]n1 1814440506 UESPHLPIGPJSKR-HSZRJFAPSA-N 477.609 5.127 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1815096557 UNBHQJNSEWQJQP-IMWIBFENSA-N 487.629 5.523 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815209350 FHVJYEARWVFFLP-RCZVLFRGSA-N 487.044 5.478 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CC(C(F)(F)F)(C2)C3)n[nH]1 1815341063 NIQWTRHSOAEFPK-XDGVHFHYSA-N 452.521 5.127 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(F)(F)F)n[nH]1 1816422395 ZKRZGMVIUMDXRZ-GOSISDBHSA-N 463.504 5.122 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818813521 AZMPSHFOFCYPRX-QLPRGREVSA-N 493.567 5.802 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819078468 BXGKPMNQONBLEM-INIZCTEOSA-N 462.497 5.281 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)on2)[nH]n1)c1ccccc1 1819518748 ZNRJFIACWCPDSC-OFNKIYASSA-N 473.577 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[nH]n1 1819556188 XWSAQFMJERBVNV-XJCKULRNSA-N 489.620 5.598 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)n[nH]2)CCC1 1820116619 QGQATFGXEXQQQR-NRFANRHFSA-N 498.612 5.619 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)c1c(-c2ccccc2)cn2ccccc12 1820149543 TVZBIURRDOSWHP-XMMPIXPASA-N 477.568 5.049 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)c1 1820587996 KZBZQNPMZNHHOV-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCCC)cc2)n[nH]1 1820640375 QJTWFUDMRHJLEQ-GGAORHGYSA-N 450.583 5.273 30 20 JKED COc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC(C)C)cc3)[nH]n2)c(C#N)c1 1820838074 ZHOQOWGMNNAMQU-SANMLTNESA-N 499.615 5.037 30 20 JKED O=C(/C=C/C1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1820906002 ZJKMSBABWMZSSA-SWRKCRJVSA-N 466.607 5.039 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157523 KXPZJIDKUKMXIV-MHECFPHRSA-N 459.594 5.335 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)s1 1821182293 ZFKQBPNTQJUEHL-OAQYLSRUSA-N 490.633 5.285 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CCC1 1821242754 NBCVOPRRKYEFBS-FQEVSTJZSA-N 498.425 5.176 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)c1Cl 1821274421 SMNUUZIFLWHYRY-HXUWFJFHSA-N 465.916 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)[nH]n2)c1 1821325889 SXDNNPMXNXBHLH-SANMLTNESA-N 496.615 5.200 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)cc2s1 1821443015 CYRZNZYARYTNHJ-QRQCRPRQSA-N 486.601 5.508 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1821922735 OUJIGFSLTVZPJJ-IERDGZPVSA-N 473.602 5.691 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cccnc4s3)[nH]n2)c1 1823215557 VDCJMLCUWLNNJF-HRAATJIYSA-N 484.585 5.266 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)c1 1823217504 LJMHJIAQYKVJAE-PEBXRYMYSA-N 497.933 5.588 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823217545 MHXRWXOHZXHWNW-UQBPGWFLSA-N 485.588 5.445 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)CC1 1823667045 UVPJIZLQNOCSCE-ILBGXUMGSA-N 461.606 5.343 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(F)cc3F)CC2)cc1 1823682074 QPSYMYVYMCJQKC-KYGIIIMWSA-N 491.582 5.102 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824052427 MBDLTUKABYNAFY-AREMUKBSSA-N 499.611 5.185 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1 1824539529 NINREYGWHHBZGD-AZGAKELHSA-N 479.690 5.245 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)CC2 1826037698 QAGJRYZPPPDVGS-KRWDZBQOSA-N 467.978 5.086 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1826693780 YTSZFRPCQCKSEO-QFIPXVFZSA-N 482.422 5.139 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cc(Cl)ccn23)CC1 1827366898 FIGFQNHYOVAOQM-OAQYLSRUSA-N 471.045 5.213 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1828396337 BISVHRUXYPQAND-QKDODKLFSA-N 490.047 5.178 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(Br)cccc4n3)CC2)C1 1828706220 AMDJNSGFLREIRV-DEOSSOPVSA-N 496.449 5.197 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1828829191 FLVPHJVSADQACF-LOSJGSFVSA-N 460.622 5.078 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1828905148 JPVFMPGHWDWRDM-MHZLTWQESA-N 489.736 5.519 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cnc(C)s2)CC1)c1ccccc1 1829035355 PWHSBTKNBQZLGZ-AYFFHWRWSA-N 489.685 5.282 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1829067719 VZAVKGZLBQLSES-OAQYLSRUSA-N 471.045 5.394 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1830422245 UBECNCNPKZCUHS-AVRDEDQJSA-N 481.559 5.048 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4nc(C)sc34)CC2)c1 1830769204 JWIDDIBSIXAPMM-VWLOTQADSA-N 486.641 5.332 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1831376513 ROEOMEPMHSHXJZ-KKSFZXQISA-N 454.508 5.290 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686041 KXMFWYVRIDTUQM-VHHYPFNNSA-N 473.455 5.294 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1831744741 FWQJCMOZLDDGCD-MHZLTWQESA-N 489.685 5.424 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1)c1ccc(O)cc1 1831924937 OISOUAJMLLVYGH-ISKFKSNPSA-N 488.619 5.190 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccccn2)CC1)c1ccccc1 1832325182 ZDCWJRHPBLGFBH-KHGZIGHDSA-N 471.645 5.002 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1832629270 MKMADSMSGXXLDJ-UQBPGWFLSA-N 477.580 5.008 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)C1 1832708916 YGXYSZFDIJFHRQ-NRFANRHFSA-N 452.492 5.044 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)CC2)c1Cl 1832956523 KNEKLYCTWASACU-AREMUKBSSA-N 490.047 5.250 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@@H](S)C(C)C)CC3)c[nH]c2c1 1832960819 QLFNZGIAPCYTEO-GXLFNDEZSA-N 467.679 5.064 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1838749793 IXHILKYBHGDCQL-JOCHJYFZSA-N 460.618 5.178 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1841319642 PHDJFDWCZRNWME-UHFFFAOYSA-N 453.586 5.192 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(Br)c3ccccc3c1)C2 1844201855 ZHQWHVPSLHTVOS-FQEVSTJZSA-N 467.407 5.188 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)c2ccc(Cl)s2)nnc1-c1ccc(Cl)cc1 9414838 VRPGMYIXPAMCTP-UHFFFAOYSA-N 468.387 5.018 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)nnc1-c1ccccc1 9447825 WXWLDVSTZBSRDF-UHFFFAOYSA-N 469.570 5.114 30 20 JKED Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 10168098 WRFHRMWIWJOPDH-UHFFFAOYSA-O 459.679 7.063 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1cc(C)cc(C)c1 10172471 OMRNXXYGCYBPTM-UHFFFAOYSA-O 458.434 6.511 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 10172773 ISMMUMNRSDBRHG-UHFFFAOYSA-O 489.514 5.783 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccccc1Cl 10826084 GCYTZORAKXVCTL-UHFFFAOYSA-O 474.831 6.003 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836730 OTTPWHYTHCDXDB-UHFFFAOYSA-O 475.465 6.240 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)cc1OC 11303177 IRBNFOIUDIXDNY-WXUSHSQQSA-N 465.575 5.115 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1cccc(C)c1 18324703 LOBKGRSOSPLMNG-OAHLLOKOSA-N 475.599 5.851 30 20 JKED N#CCc1ccc(NC(=O)CSc2nc3scc(C4CC4)c3c(=O)n2-c2ccccc2)cc1 20083421 SCCAVNCFGDAXAW-UHFFFAOYSA-N 472.595 5.121 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(C(CC)CC)cc2)cc1 22731411 HHOCNOZEXGIUIK-UHFFFAOYSA-O 467.680 6.697 30 20 JKED Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccccc3Sc3ccccc3C#N)c2C)cc1 23584886 ZGTCWUZBEOPAAK-UHFFFAOYSA-N 496.592 5.616 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2sc(C)c(C)c2c1=O 28682018 IBLUKOLWFYGMEB-GFCCVEGCSA-N 451.976 5.173 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cc(C)ccc2C)cc1 28793489 CVYGDZQKBQUHLE-UHFFFAOYSA-O 462.639 5.742 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 97543293 LTVIDAKUSYKIFJ-HNNXBMFYSA-N 450.882 5.138 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1cc(C#N)ccc1OC(C)C 115762736 JNWMBAGUHFXNAH-UHFFFAOYSA-N 457.361 5.636 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Br)cc2)nnc1-c1ccccc1F 195568799 YUGAUALWIYIDML-AWEZNQCLSA-N 475.387 5.002 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)nnc1-c1ccccc1F 195677213 LIAKYVGMEKQOMB-JOCHJYFZSA-N 466.582 5.125 30 20 JKED N#Cc1ccsc1C(=O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 303014477 KGYAZWLAKKBDJV-UHFFFAOYSA-N 472.433 5.069 30 20 JKED CCOc1ccc([C@@H](CNC(=O)CSc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 303136251 CEHYKOQBKUHMLS-HSZRJFAPSA-N 485.609 5.487 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 303322306 UNIKYCWGZRTKAL-QGZVFWFLSA-N 491.667 5.978 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 303340400 LMKIUHIJHDWKRO-OAHLLOKOSA-N 481.437 5.036 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1cc(Br)cs1 409927861 VEPFQZSTSHNBDO-UHFFFAOYSA-N 455.377 5.841 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)NC(C)=O 476169935 QGTVYJVPHYESTG-RUZDIDTESA-N 457.530 5.264 30 20 JKED COc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OCc1cccnc1 482779542 IHPVMRFYSCELRL-UHFFFAOYSA-N 451.482 5.585 30 20 JKED C=CCn1c(Sc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)nnc1-c1cccnc1 489282067 BXYGBEVUFBRCLL-UHFFFAOYSA-N 484.614 5.018 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1Cl 491570697 SMHNYAZGWQKYRC-OFVILXPXSA-N 465.041 6.115 30 20 JKED COc1cc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OCc1ccncc1 502707444 FOGINNOZWVCBIJ-FQEVSTJZSA-N 495.604 6.183 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)[C@H](C#N)c4ccccn4)sc3[nH]2)c1 503560568 AVONUORTIKPOBH-MRXNPFEDSA-N 460.584 5.087 30 20 JKED CCN(CC#N)CC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1 503573836 NXLYUCGRWJNNLG-UHFFFAOYSA-N 456.262 5.044 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1 510579503 OICBIVPZXSMAEZ-UHFFFAOYSA-N 490.003 5.855 30 20 JKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511415743 PXIGKGOKZIQSJW-UHFFFAOYSA-N 469.463 5.894 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)s2)cs1 511463101 ZFWLOVGKKMJFTI-UHFFFAOYSA-N 487.610 5.668 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1nc2ccccc2[nH]1 513649610 XXCGCNYBYCXFDF-SFHVURJKSA-N 459.303 5.068 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Br)s1 513656107 XWOOGDCUNPZVGC-INIZCTEOSA-N 496.386 5.475 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)nc2ccccc21 513673236 ZCUIAVVWFAIIHH-LJQANCHMSA-N 458.315 5.057 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 513983114 LSWDWHALZSDQND-UHFFFAOYSA-N 471.611 6.033 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc(Cl)cc1 514357432 MUQKDOXURMIIQM-CRAIPNDOSA-N 459.040 5.690 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2cccc(Br)c2)cc1 515795219 ZAFBZFCUOJICJH-UHFFFAOYSA-N 480.362 5.295 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 516007726 KBTSRPKIEDWZMK-UHFFFAOYSA-N 469.950 5.076 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2Br)no1 520012525 BPSURVZOORZPPT-UHFFFAOYSA-N 470.323 5.259 30 20 JKED Cc1ccc(OCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(Br)c1 520015224 AQVLQBXLIUBJIZ-UHFFFAOYSA-N 489.420 5.181 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc12 520431535 RIOVKPOPBSNVHO-LLVKDONJSA-N 488.313 5.831 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(COCCc3ccccc3)c2)c1 522533757 IUKVQFHXHJRHCT-UHFFFAOYSA-N 452.510 5.742 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1Cl 552419587 XMQLQPVZZCVCAA-NRFANRHFSA-N 460.917 5.368 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3C#N)n2C2CCCCC2)cc1 589937987 HCOUGTPEUBYLSW-UHFFFAOYSA-N 461.591 5.451 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1cncc(C(=O)Nc2ccc(F)cc2C(F)(F)F)c1 590253054 HKNBEPMHXBHBIZ-UHFFFAOYSA-N 489.322 5.902 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C 590666657 HCBWCNPGGMOWJL-JPYJTQIMSA-N 499.014 6.078 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 603659601 ITZFIQDCOOYTTK-UHFFFAOYSA-N 451.983 5.003 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCOc2ccccc2-c2ccccc2)cc1 604003153 GIXDKPZAGKVKRJ-UHFFFAOYSA-N 462.549 6.406 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 604007751 YLPKQVRVZLYLRE-UHFFFAOYSA-N 480.368 5.834 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccc(Oc2ncc(Cl)cc2Cl)cc1 604009874 ZSSQJAJTLRARBJ-UHFFFAOYSA-N 459.358 5.847 30 20 JKED CSc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1NC(C)=O 604026409 HRCJCIDACAXNPX-UHFFFAOYSA-N 451.935 5.937 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 604100753 PBZBBXBZSSDTTF-ROUUACIJSA-N 485.544 5.697 30 20 JKED COc1cc(C(=O)Nc2ncccc2OCCCC#N)ccc1OCc1ccc(Cl)cc1Cl 608883329 LVGOWWCGUOVBPP-UHFFFAOYSA-N 486.355 5.911 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 609086183 YYMKUJIYVURLLV-NDEPHWFRSA-N 493.538 5.429 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)sc2c1CCCCC2 609563145 VIGMMRJKPWJBAG-UHFFFAOYSA-N 457.599 5.533 30 20 JKED O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618543576 WLKIUWJONJAQDW-STQMWFEESA-N 498.420 5.253 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 620890539 WWIQBLKBQGRBPR-CBZIJGRNSA-N 454.430 5.063 30 20 JKED C=CCN(C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1nc(-c2ccccc2)cs1 641900390 JZXHXXKHUBMFEW-UHFFFAOYSA-N 479.561 5.439 30 20 JKED Cc1sc2ncn(N=Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)c(=O)c2c1C 725768856 GEVLXNXAIUKJGE-UHFFFAOYSA-N 479.565 5.615 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=Nn1c(S)nc2ccccc2c1=O 725858861 HJTIWNOOBOFJNI-UHFFFAOYSA-N 478.792 5.081 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(F)cc1 726398295 KNTDBSMMYPVBQH-DJJJIMSYSA-N 481.952 5.004 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 726411103 GNMDIPABTLZGKX-NTKDMRAZSA-N 468.582 5.093 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(C2CCCC2)C1=O 726420005 GYTWMJFPSJFKOH-QDKFNBQJSA-N 457.621 5.089 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726422454 XPYLQSDJEOCFQU-OVRHBKGWSA-N 481.599 5.134 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 728148000 RMIWLSBYXHLEPE-XLIONFOSSA-N 482.556 5.120 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c1 728182459 RLWRTCLWYQEWHX-UHFFFAOYSA-N 455.535 5.082 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C2/CN(C3CCCCC3)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697602 SWCIZHIPHJSTGO-QBQZKLQCSA-N 495.623 5.953 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CCCCC#N)C2=O)cc1 728777313 KCOHHFJHEXJIST-HXUWFJFHSA-N 472.973 5.442 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1C 729142797 LQECQYYUVBTUDN-HXUWFJFHSA-N 482.606 5.368 30 20 JKED Cc1ccccc1-n1c(-c2ccncc2)nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c1=S 729470559 AEFSRBHEZOIOGG-UHFFFAOYSA-N 482.613 5.146 30 20 JKED N#C[C@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 729888634 MGDNJYZXLBDNNO-CYBMUJFWSA-N 495.313 6.362 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc(-c3ccccc3)nc21 729889495 OZXSJBMDNUEMTK-GOSISDBHSA-N 492.366 5.947 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 729894671 PHDWRKLSNOERKH-XLIONFOSSA-N 497.567 6.311 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1)c1cccs1 730463401 WXLUWEVMDWZTSO-QTZFAHQESA-N 481.565 5.709 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730715847 QOOMHCHGOKXQTA-QFIPXVFZSA-N 490.972 5.642 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1F 730723008 CVCJKJVFDPSXMF-JOCHJYFZSA-N 492.507 5.267 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCOCC2CC2)C1=O)Nc1cccc(Cl)c1Cl 730943297 BSHOAOCPACWSBE-IBGZPJMESA-N 492.428 5.380 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731305102 GWLBPOZNULHYKB-YCRPNKLZSA-N 480.977 5.162 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cl)s2)C1=O)Nc1cccc(O)c1 731307835 VPVGRTNUJRGLAU-GOSISDBHSA-N 471.991 5.268 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1cccs1)c1cccs1 731312124 LCLHQOPZQUCHGM-QDKFNBQJSA-N 485.656 5.148 30 20 JKED N#CC1CCN(Cn2nc(-c3ccc(Br)cc3)n(C3CCCCC3)c2=S)CC1 747079134 VSFYOYCWQINANE-UHFFFAOYSA-N 460.445 5.542 30 20 JKED Oc1ccc(-c2ccccc2)cc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 749443884 KLHGMKRHSHQLAQ-UHFFFAOYSA-N 471.369 5.707 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H](O)c3ccc(OC(F)(F)F)cc3)c2)cc1 750302326 FRDCQORSRWTTIQ-HSZRJFAPSA-N 485.462 5.085 30 20 JKED O=C(Nc1ccccn1)c1cccc(N=Cc2cc(Br)cc(Br)c2O)c1 750948731 PJCOQAABILPQGD-UHFFFAOYSA-N 475.140 5.315 30 20 JKED N#Cc1ccccc1/C=C/C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 799452185 JGSIOGCWDQSSHO-FMIVXFBMSA-N 472.353 5.318 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCc1cc(C#N)ccc1F 808893974 CXPREQXYRSCTDJ-CQSZACIVSA-N 479.558 5.440 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 837485286 MDVIJAAQLCTTRA-KSFYIVLOSA-N 496.995 5.904 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1OC 838504649 TWMRJWDTZMZSNI-FQEVSTJZSA-N 493.551 5.865 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CC(F)(F)F)C1=O)Nc1ccc2ccccc2c1 838596218 NXMHZIYYBGGQPB-IBGZPJMESA-N 493.457 5.641 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3ccc(N4CCCCC4)cc3)no2)nnc1-c1ccco1 904615743 QKRQFMRBWFJKJA-UHFFFAOYSA-N 462.579 5.447 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)Cc2cccs2)c1 914690626 ASPADIOGXYHYOJ-HTAPYJJXSA-N 479.627 5.348 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 915180934 SQUWLRLMACWAIZ-DEOSSOPVSA-N 491.934 6.048 30 20 JKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)c1ccccc1Oc1ccccc1)CCCC2 915384896 NGQWPLYQBQPABX-NRFANRHFSA-N 499.567 5.005 30 20 JKED COc1ccc(/C=C\C(=O)c2ccc(Br)cc2Br)c(OC)c1OC 916140365 PBRGIBCMFNEFGJ-YWEYNIOJSA-N 456.130 5.134 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccco3)C2=O)c(OC)c1 916216755 YGMCFXUPEGIGJN-QHCPKHFHSA-N 493.585 5.074 30 20 JKED Cc1sc2ncn(N=Cc3ccc(-c4nc5ccccc5s4)o3)c(=O)c2c1-c1ccccc1 916283721 OWZJVAMBZLICAE-UHFFFAOYSA-N 468.563 6.185 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916886881 LADARXKDUZGUHI-SFHVURJKSA-N 457.527 5.323 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2)cs1 916908915 OOKNBOCNWUXMKU-QHCPKHFHSA-N 483.549 5.784 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916910383 XDPYESAFLDATRX-LOSJGSFVSA-N 466.537 5.227 30 20 JKED COc1cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1c(C)noc1C 916936223 DSFXXZWGWMEPMK-MPYGFJLXSA-N 497.910 5.032 30 20 JKED N#C[C@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 916977239 NNCHXPRJDIHCGM-CQSZACIVSA-N 474.945 6.004 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044705 UCHUMVOYHBDUAA-YJBOKZPZSA-N 469.488 5.033 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1=S 917455127 GSUNGCFSBSIANY-UHFFFAOYSA-N 475.662 5.413 30 20 JKED Cc1nc2sccc2c(=O)n1N=Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 917580470 KAFVBCAKSHUILO-UHFFFAOYSA-N 462.531 5.647 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccc(Cl)c1 917700411 FSFXIBHZTMNQBI-QFIPXVFZSA-N 492.963 5.511 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 918033894 GKCDANWLMOELAZ-PIIWDFAUSA-N 492.554 6.616 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc4oc5c(c4c3)CCCC5)n2)cc1 920141462 OFJCJDZDLPPKQQ-OAQYLSRUSA-N 453.523 5.562 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2ccsc2)C1=O 920176579 TXGDIGQLZNILHZ-QHCPKHFHSA-N 491.638 5.406 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cc(C)on3)C2=O)cc1 920352227 KROPLWQORXIGEI-JOCHJYFZSA-N 492.601 5.159 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 920974730 FCDBBSDKMAPBHW-UZUQRXQVSA-N 474.948 5.835 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 921252543 GBVBOUIWQLZVHF-JOCHJYFZSA-N 453.608 5.080 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC2CCC(C)(C)CC2)C3)c1 1782972901 KCNHFQPMITZDAP-DQGPIALTSA-N 479.665 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(C)c3ccccc23)C1 1783350530 HKXHBXYNOYXGHS-BOBPPRSMSA-N 488.672 5.363 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)cnc4O)cc3)CCC2)c1 1785778612 VAAIQCOFCBDLOX-INIZCTEOSA-N 474.948 5.129 30 20 JKED Cc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)n1 1785824654 NRTOLQMICBPFDI-QUMQEAAQSA-N 471.582 5.038 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)CCC1 1785994084 NDQOILKBECPZHS-UHFFFAOYSA-N 458.961 5.139 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)CCC2)cc1 1786106144 MJFVSQYCVRIDSR-RDPSFJRHSA-N 495.664 5.534 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)s3)CCC2)cc1 1786544081 CJROVOQDVBFMDD-GOSISDBHSA-N 487.597 5.104 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)CCC1 1787110476 SBQVOMZVFBAGFP-AWEZNQCLSA-N 488.535 5.162 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CCc3cccnc3)cc2)CCC1)c1ccc(O)cc1 1788280267 ULLBGKHOXKHJKK-XMMPIXPASA-N 481.596 5.051 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)cc1 1788359990 NDZMOPBRNCOTQV-RUMWWMSVSA-N 495.627 5.276 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc4cc(Br)ccc4c3)cc2)CCC1 1789228410 MEWFXTHSYMWKGY-UHFFFAOYSA-N 462.347 5.264 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)C#CC3(O)CCCCC3)cc2)CCC1 1789541422 WUVPVKZTMIEYPB-UHFFFAOYSA-N 488.506 5.053 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4-c4ccccc4)cc3)CCC2)cc1 1789934548 GWBDQPMELFQORD-UHFFFAOYSA-N 486.575 5.876 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C3=C4c5ccccc5C(=O)N4CC3)cc2)CCC1 1790007007 XQTCOTXNNSMLKH-UHFFFAOYSA-N 481.596 5.160 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5cccnc5)cc4)CCC3)cc2)c1 1790258951 XOLPUQRTTQFYEK-UHFFFAOYSA-N 472.548 5.682 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3)cc2)CCC1 1790259055 CJPGYQGEJUQWEF-QFIPXVFZSA-N 481.568 5.043 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1790568134 NNQOWTPXGNDADN-NLSFWIRASA-N 467.997 5.379 30 20 JKED COc1ccccc1CCC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790762041 PLSNUUGEVXIKPP-UHFFFAOYSA-N 471.532 5.086 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1)c1ccc(O)cc1 1791645494 HHUVXRVNNZWTFI-QFIPXVFZSA-N 470.569 5.167 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1c[nH]c3ccc(Br)cc13)C2 1792574046 XYADTBYWMBNHES-ACDBMABISA-N 486.454 5.104 30 20 JKED O=C(CC1CCC(c2ccnc3ccc(F)cc23)CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 1793471342 HTNBKZSUFWGORA-ZSXFQPRASA-N 487.619 5.089 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 1794715394 YWNIIKVAJJTVAI-ACDBMABISA-N 488.554 5.340 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2n1 1798197716 AWEHQOBXWHXBMS-RDGPPVDQSA-N 482.422 5.018 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2[nH]c3ccoc3c2-c2ccccc2)c1 1799116852 AKNGFZFNXSOSQH-ACDBMABISA-N 482.515 5.004 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1802501361 MGXCKXAWTSBPRR-URXFXBBRSA-N 487.566 5.341 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1803083916 KPCHHOBKJZDBIC-ILBGXUMGSA-N 486.641 5.293 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)cc1 1805321616 BUQLWYYJITYAAH-QHCPKHFHSA-N 482.741 5.081 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@@H]1c1cccnc1 1808577676 KUWSCVKUVAJCNB-KPLVRAHFSA-N 476.543 5.015 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809210220 SFOVIGQLSRSUBZ-NTKDMRAZSA-N 498.048 5.252 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1809342504 PLPNCTVTVMFJIO-QPPBQGQZSA-N 476.646 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1810173549 WCPXGSVEQQYDOC-MZKUHISZSA-N 484.600 5.133 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1C 1810271066 CKFXMDPWQSUWHF-XNMGPUDCSA-N 475.709 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)[C@H]1c1cccnc1 1810489921 PUKVCYFZJITHSX-DHLKQENFSA-N 472.589 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1810501958 FTPQWOXCSVLLCP-VPUSJEBWSA-N 493.717 5.712 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c(C)c1 1811425958 NEKVAJQIBYQKGN-BKMJKUGQSA-N 487.003 5.165 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1811696197 YZUVMGKTHHVSNS-QDPGVEIFSA-N 483.637 5.107 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812590790 ONGFHATWSPCBBO-JDRJUVJTSA-N 467.569 5.513 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813975901 HKVSBUFCMZYYRL-XPIZARPCSA-N 479.930 5.286 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)[nH]n2)C1 1814397890 ZALPRGNTYLMQFH-XMMPIXPASA-N 476.527 5.627 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)[nH]n1 1814829225 BGMNIRXUDJLXFO-XMMPIXPASA-N 494.636 5.210 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)cc1 1815244257 ZCBXKLFLFXVMCL-QPPBQGQZSA-N 477.634 5.040 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)cc2Cl)n[nH]1 1815577918 JWGORVQSOOWNSO-WIYYLYMNSA-N 458.965 5.205 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)[C@@H](C)CC)n[nH]1 1816846581 APVKNJYOHQWCEU-SNYIIPAISA-N 454.640 5.151 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3nc(C)ccc3c2)n[nH]1 1818672229 HPTQXJOUEPGMQV-QHCPKHFHSA-N 459.594 5.565 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cc[nH]n3)n3ccccc23)n[nH]1 1818973127 NSZWSNWMYNNETE-DVECYGJZSA-N 497.603 5.127 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1)C(F)(F)F 1819029404 PGTFOOJFNLLWPQ-GFCCVEGCSA-N 454.499 5.110 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)[nH]n1 1819307214 QACFKRPYVQIJHN-UGKGYDQZSA-N 459.550 5.139 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)[nH]n1 1819311046 JIOZNPCSNUWVIO-LADGPHEKSA-N 462.594 5.273 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3sccc3Cl)n[nH]2)c(Cl)c1 1819956908 GYNATWLDZPQNJS-QGZVFWFLSA-N 474.373 5.269 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093692 OTRSQOZQNSNOFS-WMZHIEFXSA-N 493.658 5.433 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)ON=C(C)C)n[nH]2)cc1 1820975575 AJRLVCJJSQGNGD-GBXCKJPGSA-N 481.641 5.178 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4cccnc4)cc3)n[nH]2)c1 1821007953 CNXYFIIQCSNPTM-SANMLTNESA-N 490.567 5.272 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821089555 LBIGIBZHEQRUCR-FZKQIMNGSA-N 499.921 5.189 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310363 QUOUKZMKNJIKJL-LJQANCHMSA-N 487.507 5.290 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 1823751399 SIDPBBIFHPEKEA-XMMPIXPASA-N 484.681 5.249 30 20 JKED O=C(c1cc2c(ccc3ncccc32)s1)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824411615 VVDICDVKQRRYHX-XMMPIXPASA-N 471.626 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)CC1 1825000978 WDXPBFZHHXEDSB-NOZRDPDXSA-N 473.057 5.279 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825422669 KKTVPEBSFMAVJG-MHZLTWQESA-N 477.649 5.206 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827331329 GSGMTFAXLPNVNO-RUZDIDTESA-N 477.674 5.210 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827875533 LCIZMPKQJWQRKG-HSZRJFAPSA-N 467.560 5.193 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828165998 BZCMCDMQBAJBRD-OAQYLSRUSA-N 475.967 5.333 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1828828903 ULGRHJHLBIWGGP-UPVQGACJSA-N 465.663 5.606 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)c1Cl 1829685945 SKCZSIVWXBWNPI-NHCUHLMSSA-N 477.983 5.270 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1829695399 OZVKMSCCDJONAL-AREMUKBSSA-N 469.629 5.461 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829907545 NYAVODOJYQPCRT-AHKZPQOWSA-N 490.644 5.285 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1F 1829970181 XXPSUKAODJYKRP-QHCPKHFHSA-N 467.972 5.206 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1830151861 CQFDFPPKJZKTOB-XMMPIXPASA-N 485.072 5.371 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1830606659 SOTSCZVAXXXIDA-VWLOTQADSA-N 494.035 5.466 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1 1830909051 SANIYGWWWRHWOA-VWLOTQADSA-N 478.709 5.717 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831238826 FIKXCVXQYSQILS-NRFANRHFSA-N 464.437 5.095 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C)c2)CC1 1831446352 GVKMLVKVDISZLP-FQEVSTJZSA-N 483.397 5.202 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1831449291 XQIPGORZCPTGHC-ZJVMWOEPSA-N 495.408 5.293 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831745227 PQSURAJVGUODKX-RUZDIDTESA-N 454.680 5.042 30 20 JKED COc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)S)CC2)cc2ccccc2c1Cl 1831844214 RQZPVXXTGWNPBH-IERDGZPVSA-N 475.054 5.053 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)CC2)c(Cl)c1 1831980922 QCHNAKZQWDEPBQ-OZXSUGGESA-N 476.020 5.175 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CC2)CCC1 1832785927 METFGIXAUOTHOE-AREMUKBSSA-N 495.627 5.157 30 20 JKED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)c2c(Br)cccc2-c2ccccc2)C1 1844724871 KLAGRDPVUVCTFQ-UHFFFAOYSA-N 489.360 5.145 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccc(OC)c2)nc2scc(-c3ccccc3)c2c1=O 3444722 CACNEATUSRPGCH-UHFFFAOYSA-N 491.638 5.070 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(=O)Nc1ccccc1C#N 8641544 PKSCJPLQELFYTN-INIZCTEOSA-N 459.962 5.579 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 8641585 CSJDQVUECRFCSF-UHFFFAOYSA-N 473.989 5.627 30 20 JKED N#CCCN(C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1 9570883 UFGXZCARDDXMFW-UHFFFAOYSA-N 488.016 5.550 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 10179155 HWHPBEQVCMLFHR-UHFFFAOYSA-O 452.333 5.918 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ncnc3sc4c(c23)CCC4)n(C2CCCC2)c1C 10340281 YRPORVQKXLUYAV-UHFFFAOYSA-N 451.621 5.316 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(-c2ccccc2)cc1 10755277 PACXVKACPNHROQ-UHFFFAOYSA-O 477.968 6.190 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(Cl)c(Cl)c1 11159103 HYXWEIKXJFXTBG-UHFFFAOYSA-O 472.461 6.819 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 12605570 OMXIVGUQYHUMCR-UHFFFAOYSA-N 474.369 5.237 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)n(Cc2ccco2)c1C 14634148 QJNDADBDDIBGCT-UHFFFAOYSA-N 467.938 5.052 30 20 JKED N#CCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)cc1 15029436 VGJAWUCKJFAAMK-UHFFFAOYSA-N 481.577 5.400 30 20 JKED Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 16908941 LXRRZMKNPMXPLF-MRXNPFEDSA-N 482.631 5.587 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)cc(F)c2)c1 18253992 IFJJQUWFJRAFPH-UHFFFAOYSA-N 492.931 5.260 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 21366984 DJJYZGRZDZOMQR-DEOSSOPVSA-N 492.551 5.793 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1ccc(Cl)cc1 21673316 LZNHTGMQNJWWBD-UHFFFAOYSA-N 488.798 5.889 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1[C@@H]1COc2ccccc2O1 23518083 PFAJLKXNMUOLLR-MFEFFIJZSA-N 490.585 5.081 30 20 JKED C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 31435503 PZWQBFNOPMNNEK-HOTGVXAUSA-N 474.611 5.022 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 32786435 PYUAFXXJLCATPM-UHFFFAOYSA-N 488.661 5.581 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 46538324 YTAJFIGBPILSED-UHFFFAOYSA-N 481.577 5.151 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1Sc1cc(CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 72018782 WBDIZBNXVPJZPQ-UHFFFAOYSA-N 492.536 5.261 30 20 JKED CC(=O)N(c1nc(COC(=O)c2ccc(NC(=O)CC#N)cc2)cs1)c1c(C)cc(C)cc1Cl 104538899 VWOXYCMMRFCJGS-UHFFFAOYSA-N 496.976 5.307 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 108171694 YFADWHUVOJAVTO-UHFFFAOYSA-N 477.439 5.513 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(C3SCCCS3)cc2)cc1 108378292 BCVMTMLFKZZSTP-UHFFFAOYSA-N 490.650 6.218 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 108733919 IRAXPENSYOFHBA-UHFFFAOYSA-N 472.495 5.438 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1Cl 117249409 GQTOTKUVSFERDD-HXUWFJFHSA-N 457.877 5.342 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3ccccc3)C2)ccc1Cl 195738735 AVDPBSAFVAVLEA-QFIPXVFZSA-N 481.017 5.351 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)cc2)cc1 302975969 DSYJIFMUSLOUJA-UHFFFAOYSA-N 453.523 5.594 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 302979546 HLCXTQLXOHAOOB-HSZRJFAPSA-N 478.346 5.718 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)CC2)c1 409540947 LLDFKXXTAGTURE-QHCPKHFHSA-N 479.005 5.423 30 20 JKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481601803 YKAHTTYXZKGBHA-UHFFFAOYSA-N 466.900 5.032 30 20 JKED Cc1ccc(CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@H]2CCc3ccccc32)cc1 498374486 LCSYFLMZEMDJES-MHZLTWQESA-N 472.610 5.402 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 502679722 MQWQCADYOWMDFD-UHFFFAOYSA-N 460.347 5.044 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 503132555 QEBKBIDMWUFXSQ-UHFFFAOYSA-N 479.496 5.470 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccccc1OC 505227166 TUKCSPWMASIQCN-RTBURBONSA-N 472.614 5.651 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(Cc3ccccc3C)CC2)cc1 508300664 NCRDURCLLHSUMC-UHFFFAOYSA-N 456.546 5.017 30 20 JKED CCCCNC(=O)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510060467 ZVTYAOZCWRXLHR-QFIPXVFZSA-N 452.986 5.156 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N(Cc1ccccc1C(F)(F)F)C1CC1 510411613 KIDHHKKQVNAJDF-UHFFFAOYSA-N 478.408 6.319 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(OC(F)F)cc1 511306951 POBAWARCLSTFCT-KRWDZBQOSA-N 451.473 5.816 30 20 JKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511438993 NBACLFPOSUVOAF-UHFFFAOYSA-N 479.584 5.580 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)s2)cc1 511650863 SSKDURPDAHCVNI-UHFFFAOYSA-N 453.936 5.263 30 20 JKED C=CCn1c(SC[C@@H](O)COc2ccc(Cl)cc2Br)nnc1-c1ccccc1F 513509282 QPGAEMLEMWLBMZ-AWEZNQCLSA-N 498.805 5.218 30 20 JKED COc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 515510336 LYLGAXCYKICCDU-FQEVSTJZSA-N 469.310 5.170 30 20 JKED Cc1c(NCc2ccc(C#N)cc2)cccc1NC(=O)c1ccccc1I 515662665 VUKISRRFKAGBCH-UHFFFAOYSA-N 467.310 5.336 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(CN4C(=O)c5ccccc5C4=O)c3)n2)cc1 516270372 VHKXIELEIBEWTK-HSZRJFAPSA-N 493.544 5.105 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N(Cc3ccc(Cl)cc3)C3CC3)c2)cc1 517147555 UMSOMBWXVOJPJT-UHFFFAOYSA-N 473.960 5.115 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 517474039 LDDRHHJILVFJOW-MBSDFSHPSA-N 473.577 5.990 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCCCc1nc(-c2cccnc2)cs1 517805330 BHLWALRGAVVJGR-UHFFFAOYSA-N 470.623 5.981 30 20 JKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(OCC(F)(F)F)cc1 517875306 ZYCCXQLEPUKIDB-CYBMUJFWSA-N 493.536 5.526 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(OCc4cccc(F)c4)cc3)cc2)c1 518259194 HZAPEECXRMJOFE-UHFFFAOYSA-N 495.510 5.324 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c12 519941639 MDGIOUMXVMZEQI-UHFFFAOYSA-N 470.536 5.048 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 521747851 BKTZNTWYLRLPJI-QHCPKHFHSA-N 499.684 5.582 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3sc4cc(C(F)(F)F)ccc4c3Cl)CC2)c1 522819065 IRKJOFWJXWXEDS-UHFFFAOYSA-N 491.922 5.936 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(Cc2ccc(F)cc2)n1 588787318 OMFVUGGGFJOGLH-VXGBXAGGSA-N 454.411 5.512 30 20 JKED C=CCN(C(=O)C[C@H](C)Cc1ccccc1OC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 593009206 JAXYDBCCCRWYJF-GOSISDBHSA-N 484.643 5.010 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 597217192 DUCRIQFEHCTVIX-IBGZPJMESA-N 471.561 5.501 30 20 JKED Cc1nc(NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)sc1SCC#N 603775917 ZJYVCDGAADHSDN-QGZVFWFLSA-N 474.405 5.589 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1OCC(C)C 603829919 KPLARJPWESILOS-MRXNPFEDSA-N 497.646 5.628 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003776 VTJMIGGHXQQPTL-MRXNPFEDSA-N 483.337 5.639 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2C#N)C1 604276962 ZKIXZAMINXOVFL-RWMBFGLXSA-N 467.479 5.136 30 20 JKED CC[C@H](C)Oc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 604440747 NRFVBURQCRVFGF-SFHVURJKSA-N 459.571 5.719 30 20 JKED CC(C)(C)c1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C(F)(F)F)cc1 604524232 SXXJMBUVWUWLKV-HXUWFJFHSA-N 466.525 5.095 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)c1 609437007 JUSFXRGQSYMXEM-GASCZTMLSA-N 457.374 5.945 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](c1ccccc1)c1ccc(F)cc1 612806199 WUDUDZXWCLJHOB-KCITZHQASA-N 462.409 6.124 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1 613344601 KAGOEJLEHSPSGW-OAHLLOKOSA-N 489.409 6.226 30 20 JKED CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 613391795 BUWFHYQJMZXFHV-JOCHJYFZSA-N 479.627 5.253 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1NC(=O)c1ccccc1F 613407320 QQUSOYDHOQEGHS-KRWDZBQOSA-N 463.921 6.140 30 20 JKED COc1cc(OC)c(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1OC 642281469 JCXXOHFUHRAHOJ-WSFXZPRGSA-N 452.576 5.127 30 20 JKED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1ccccc1 726109734 PPHIEISHBABHIS-DESKXKKGSA-N 484.625 5.104 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 726394885 WQUYMPJCXPVJIE-UTKZUKDTSA-N 474.026 5.342 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 726400181 OWOWTHDXOOSEJC-ACJLOTCBSA-N 498.407 5.518 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1 726414167 XRNBZLMSSDQZBZ-OAQYLSRUSA-N 495.029 5.247 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1cccc(COC(C)(C)C)c1)c1cccs1 726415204 FXGVCPGKFYQGQU-SYGSHIDXSA-N 499.702 5.293 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726420738 MULDCFIXPCXWKK-QOTVRNNISA-N 453.589 5.240 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC(F)(F)F)c1cccs1 726421322 MGYFSHOJWKDJDG-NZLXBOQJSA-N 491.560 5.853 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCOC(C)(C)C)c1cccs1 726421500 NBXNNSMDQNKBGM-VTPWXYDOSA-N 495.617 5.231 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@H](C)c1cccs1 726421829 PXTBTIOPUUENQK-SPXBZFAHSA-N 483.581 5.957 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)cc2)cc1 726570568 GKPQASFWIWVGAD-UHFFFAOYSA-O 477.053 7.035 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 726755348 IOAVUMRFIBZDBY-UHFFFAOYSA-N 472.888 5.790 30 20 JKED C[C@@H](OC(=O)c1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 727019181 GEDHYLUVSKKKIW-CQSZACIVSA-N 483.590 5.259 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2Cl)c1 727999349 NQDHOWRXNAXANK-FMIVXFBMSA-N 499.998 5.681 30 20 JKED CC(C)n1ncc2cc(/C=C/C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c(=O)[nH]c21 728028883 BQXSLLRITDPWDC-RMKNXTFCSA-N 487.947 5.061 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2c(c1)CCC2 728426584 WQFWIFQLXBOEJM-AVRWGWEMSA-N 495.608 5.163 30 20 JKED COc1ccc(-n2c(-c3cc(Cl)ccc3OC)nn(CN(C)[C@H](C)CC#N)c2=S)cc1Cl 728901868 BSGMLDVVXAIXAO-CQSZACIVSA-N 492.432 5.586 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\CCc1ccccn1 729630786 ABFKXYYWIAPCCN-WNMDNWPKSA-N 466.651 5.006 30 20 JKED CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cc4ccccc4n3CC#N)ccc21 729768609 KZSRGUAIQNCJHI-UHFFFAOYSA-N 450.498 5.088 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)c1 729888847 JKAXYNFHUMMNTF-AWEZNQCLSA-N 463.740 5.287 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730462405 XQJZKNOJHONUFL-GOSISDBHSA-N 481.927 5.872 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc2ccccc12 730710752 REFXIRPSEHOCQG-FDDCHVKYSA-N 499.596 5.204 30 20 JKED O=C(COC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1ccc(F)cc1 730862295 KZQOGDJNISVWME-UHFFFAOYSA-N 495.738 5.137 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 730997453 VOISEIMONFNVGN-UHFFFAOYSA-N 497.442 5.013 30 20 JKED CC(C)c1nc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1ccccc1Cl 731079497 WTPNSQBURPAEIP-MRXNPFEDSA-N 498.008 5.091 30 20 JKED N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)C(=O)Nc1ccc(SC(F)F)cc1 731136014 KGDBLEXQOUHQQK-KRWDZBQOSA-N 499.402 5.984 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)s1 731312435 LXXQBKIZOWJCGG-JOCHJYFZSA-N 490.610 5.048 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 731400590 QXRIUIUFVGDCHM-MRXNPFEDSA-N 478.540 5.258 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cc(C)ccc1F 743525541 FTCWGJZYVMCNGH-SFHVURJKSA-N 478.387 5.267 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1Cl 744916383 IMLUXHLOPOBPPC-DEOSSOPVSA-N 496.998 5.821 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c1 746695308 DWFLMRRONNNASJ-NRFANRHFSA-N 471.598 5.218 30 20 JKED CON=Cc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)cc1 770258682 DSUQAUCESAFAEJ-UHFFFAOYSA-N 478.357 5.472 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 770404438 OBHGDJUEOOTSNX-UHFFFAOYSA-N 479.030 6.084 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837451175 SINNIKVTIDLDGS-WZONZLPQSA-N 476.577 5.559 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 837786731 DVWABMHHAKFQSJ-BTYIYWSLSA-N 482.968 5.596 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CC2CCC2)c1 915116569 KGKOSLIEEIXWNF-OAQYLSRUSA-N 488.009 5.118 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 915351439 BWVXXSQJWFSUAN-VWLOTQADSA-N 478.518 5.711 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2C(C)(C)C)ccc1Cl 915655412 QEBXDDSGLLIKNI-UHFFFAOYSA-N 487.025 5.234 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)cn2)cc1 916074159 NDKKCNUXDVAIMG-TWVWUCKLSA-N 452.352 5.418 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)/C(=C/c3cccs3)n3nnnc3-c3ccccc3)cn2)cc1 916074415 SBVFWOWGNAAZMS-HAHDFKILSA-N 491.536 5.097 30 20 JKED N#CCOc1cccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc4c(c2)OCO4)CC3)c1 916411502 ZADNTGOZBHPJPJ-RGEXLXHISA-N 475.504 5.605 30 20 JKED N#C[C@@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 916908237 GELAPNYESHWETM-CVDCTZTESA-N 469.393 6.164 30 20 JKED Cc1cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1C1CCCCC1 916927220 GJUKLSYQKAFLHS-NHHWLVAYSA-N 458.389 6.278 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 916977266 OQXPBNLTWVRCRH-KRWDZBQOSA-N 482.974 5.491 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc2cc(C(F)(F)F)ccc2s1 917430730 RSDKCGNTGGYTLN-DZGCQCFKSA-N 490.482 5.575 30 20 JKED Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 917566965 YTBXPKWNPPKXAZ-UHFFFAOYSA-N 451.482 5.543 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)N[C@@H](C)c2ccccc2)cc1 917610307 QNKLKEFTCUMNMY-FQEVSTJZSA-O 488.677 6.210 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(Cl)cc1Cl 917613014 JKWCKCBSCSAPGW-UHFFFAOYSA-O 455.390 6.038 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccsc2)C1=O 917683277 UIXKMRKWGUETLN-OAQYLSRUSA-N 465.600 5.226 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CC(F)(F)F)C2=O)c1 917699225 RMRPTDAYZHFAQT-HXUWFJFHSA-N 487.503 5.371 30 20 JKED CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2OCC#N)cc1 919977294 KPQIBJNVOVDNHP-UHFFFAOYSA-N 456.420 6.051 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3coc(-c4ccccc4)n3)n2)cc1 920138646 HGAUVUHDPBYKLV-FQEVSTJZSA-N 461.568 5.583 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)n2)cc1 920144040 WRCSVWAZBPGJJG-FQEVSTJZSA-N 498.589 5.134 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)n1 921249176 CUTTZHSSPRCNGT-SOFZFKJRSA-N 454.910 5.204 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)C1 1780838938 YKCACZUSCFBGPE-GQKQNTPFSA-N 496.598 5.224 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4Cl)CCC3)cc2)cc1 1785796407 CTWWWHQIKYTYAF-UHFFFAOYSA-N 497.986 5.420 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1 1786546368 SHLOTJKNUFXDOU-JOCHJYFZSA-N 469.626 5.170 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)CCC2)cc1 1786678639 DJIVENZQYFIHPV-UHFFFAOYSA-N 475.614 5.357 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(Cl)c4)cc3)CCC2)c1Cl 1787384149 CTEBWNXLOXZQPT-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4nc3Cl)CCC2)cc1 1787888386 MQLOEEQCQCENHW-UHFFFAOYSA-N 468.891 5.218 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCCC4(F)F)cc3)CCC2)c1 1789163274 GGQIIVSNWJLBIW-VWLOTQADSA-N 485.506 5.232 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5c(C)cccc5[nH]4)cc3)CCC2)c1 1789274153 DDSDJMKHKHWPRQ-UHFFFAOYSA-N 478.552 5.418 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789455238 OPISBBKAIQHKLH-GMHONNGPSA-N 493.648 5.287 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3c(F)cncc3F)cc2)CCC1)c1ccc(O)cc1 1789869764 XOYJJRPVZARSME-IBGZPJMESA-N 489.522 5.010 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccnc4)CCC3)cc2)c1Cl 1790081999 YRWAXLUNBUXJIL-KPKJPENVSA-N 456.933 5.068 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4csc(C(F)(F)F)n4)CCC3)cc2)cc1 1790289578 BPALTRPZAYVFHF-UHFFFAOYSA-N 470.476 5.095 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)CCC1 1790341538 IRJOJOOVOGBXQM-UHFFFAOYSA-N 456.970 5.079 30 20 JKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(OC)c4)CCC3)cc2)c1 1790342320 KRWLUXHFVOKPID-UHFFFAOYSA-N 469.541 5.027 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ncc(C)s3)CCC2)cc1 1790519902 LRJGJHRVLBTARU-HXUWFJFHSA-N 498.649 5.059 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCc4cccc(Cl)c43)CCC2)cc1 1790567207 IPPZRXCTFNKCSL-LAUBAEHRSA-N 467.997 5.305 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C(F)(F)F)CCC3)cc2)c1 1790765085 MCMCOXXXVSZZQL-UHFFFAOYSA-N 488.466 5.234 30 20 JKED CC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cc1 1790767651 FJFVLKJTJGUQKA-UHFFFAOYSA-N 486.959 5.232 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C2 1792575216 XZWJMENIGDUSBH-PVIWCNJMSA-N 473.455 5.183 30 20 JKED Cc1c(Cl)ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc(C#N)c2)c1Cl 1792941721 RRVQBPVWUKCCPN-ACDBMABISA-N 470.400 5.058 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)C2)c1ccccc1 1798553682 QQJRKYPKIGPDOD-GHNNLAFXSA-N 474.567 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)c(C)cc1Br)C2 1798591713 CRIXRQFOALOHTH-BJWYYQGGSA-N 465.407 5.141 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(OC)ccc1NC(=O)OC(C)(C)C 1800509524 TYEFIYWBVZHDKC-ACDBMABISA-N 499.652 5.286 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c(Cl)c1 1800691260 FKUHGGVLWNGKOX-QDMKHBRRSA-N 497.209 5.737 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 1802118557 FWOGDWSZRSRIMM-OOSCYNTBSA-N 497.639 5.121 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1803080839 DYHHKZLFWNYFKV-BWKNWUBXSA-N 477.008 5.304 30 20 JKED CCCCCc1cccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](S)C(C)C)[C@@H]2c2cccnc2)c1 1803605000 ZSSDPLGPQCBKQG-STXQHDJLSA-N 481.706 5.017 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1805364377 LMGGCVKUMMGGKH-BVAGGSTKSA-N 486.616 5.357 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1805697218 JOFAYBQDYIETPG-AZUAARDMSA-N 477.527 5.314 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1808146945 DLMLUVYNTGSSQJ-MZKUHISZSA-N 487.644 5.273 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808828765 WECGPEGLKILPRN-UKILVPOCSA-N 486.641 5.293 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809210221 SFOVIGQLSRSUBZ-YADARESESA-N 498.048 5.252 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@@H]1c1cccnc1 1810175206 XMBOSERIMFHEQE-WWUPIGTESA-N 498.627 5.059 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1811466121 HSKIJLSIPMQEKA-CMPZQBNXSA-N 464.368 5.059 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812221684 SWTWFCJZARPZRC-DENIHFKCSA-N 469.557 5.136 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1813062264 DQTVDDWZYJZLGJ-LITSAYRRSA-N 461.650 5.637 30 20 JKED N#CC1(C(=O)N2CC[C@H](CNC(=O)CCCCCCCCc3ccccc3)[C@H]2c2cccnc2)CC1 1814149255 SPKPCXORMCTCDY-IXCJQBJRSA-N 486.660 5.365 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938106 CTSUNNGGLWZBEY-GIWBLDEGSA-N 487.044 5.068 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1815119268 TXOZSCMFHVOENO-WMZHIEFXSA-N 490.007 5.070 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817740055 KDJSXDGWDKLDCD-QFIPXVFZSA-N 479.531 5.297 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1 1817825520 PBVKWMKTNIYQPH-IBGZPJMESA-N 482.682 5.574 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818210703 MMIQPQDNMDUYSG-INIZCTEOSA-N 452.477 5.320 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)n[nH]1 1818868324 SAJGMFKYAPCFSX-YYTDSSBASA-N 467.013 5.627 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)[nH]n1 1819553631 MZFPOOQUPLQFSX-QFIPXVFZSA-N 480.609 5.066 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)n[nH]1 1820109012 IYYVGDHRPWSIOF-MHECFPHRSA-N 482.588 5.471 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3nc2Cl)n[nH]1 1820159585 NQOXCAHFEXWUFY-ZUOKHONESA-N 487.938 5.408 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)(C)C)cc3)n[nH]2)c1 1821149622 YYLBKEVAQMFGOW-CLOONOSVSA-N 499.615 5.834 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)[nH]n2)cc1 1821180829 FCZLNJOWMBTHMY-QHCPKHFHSA-N 487.991 5.167 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4cc[nH]n4)cc3)n[nH]2)c1 1821233716 SHNFQJOSJHFVHZ-BVZFJXPGSA-N 493.571 5.047 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)[nH]n2)c1 1821271290 OAYUSAJEWUSYOF-PMTKGXAQSA-N 491.489 5.095 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccoc3Cl)[nH]n2)cc(C(F)(F)F)c1 1821310409 UGCPHJCEAKGMOB-QGZVFWFLSA-N 491.857 5.166 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2onc3ccccc23)n[nH]1)c1ccccc1 1821473060 PYYOVPXXXRGWJK-GBXCKJPGSA-N 481.556 5.054 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)[nH]n1)C(F)(F)F 1821991964 DKILHEMWLXQVPN-NTDBWNAOSA-N 452.521 5.127 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 1822346488 QSTGJMLOJXKWFH-NRFANRHFSA-N 486.538 5.346 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)[nH]n1 1822389959 VAPVLOQVANINAI-SFHVURJKSA-N 497.810 5.245 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)n[nH]2)CCC1 1822489412 VKRGYCCRKDASPO-SFHVURJKSA-N 493.917 5.011 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#Cc3ccc(Cl)cc3)[nH]n2)c1 1823210759 HXLOMAQYTYLYGT-KOSHJBKYSA-N 485.975 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)[nH]n2)c1 1823211305 LUFXLLXRVYLZFU-OUPRXKBMSA-N 459.525 5.053 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823211497 MSBDDESJLKPEQN-FDDCHVKYSA-N 475.618 5.345 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)nc2ccccc12 1823215539 UPDIWEGZCPILQJ-NIYFSFCBSA-N 492.583 5.513 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1823260984 NBVDNSSIOKCFCQ-HJPURHCSSA-N 491.979 5.318 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)c3ccccc3)[nH]n2)cc1C#N 1823294049 INJFPEGPMBFFKY-YADARESESA-N 485.588 5.178 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](c3ccccc3)N(C)Cc3ccccc3)CC2)C1 1823702951 HIHJPQOJHPIHRF-LOYHVIPDSA-N 499.699 5.446 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C#N)c2)CC1 1824143025 DCBPJAYBLCIXPQ-DEOSSOPVSA-N 498.465 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824226038 HDDDEHAGXFUYND-AREMUKBSSA-N 479.665 5.331 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1824499821 PAFDXITTYFOEDH-SANMLTNESA-N 493.623 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)CC1 1824779821 WONMJXAFTJMMHA-SANMLTNESA-N 461.650 5.389 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccs3)CC2)c1 1825315898 VRGZHKRMJPBJCG-NBGIEHNGSA-N 463.647 5.241 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825437279 SHJOORIJLHUGQC-DEOSSOPVSA-N 485.575 5.135 30 20 JKED CCc1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1825518116 XNXDXULGTHDZCZ-DEOSSOPVSA-N 498.549 5.082 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CC1 1826682466 VHSCYHAQJKYRSX-VWLOTQADSA-N 480.612 5.143 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827333598 UVBMUHAQXYKAIM-ATIYNZHBSA-N 490.648 5.091 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccn4c3)CC2)c1Cl 1827405471 WENKRQPSAKPQRK-NRFANRHFSA-N 481.021 5.073 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828154102 HSVBVWJTVAAELD-CTNGQTDRSA-N 462.656 5.228 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)CC1 1828230754 IHVVJMGEEUVNFP-MHZLTWQESA-N 459.634 5.545 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)c(Cl)c1 1828411648 IEWQQLXFKRUGAU-JOCHJYFZSA-N 459.993 5.117 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1828826487 FCJCTDUHTGBRPL-LADGPHEKSA-N 487.648 5.008 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)nc2C)CC1)c1ccccc1 1829031921 HBBPVSUQWTYASC-VSGBNLITSA-N 471.645 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)CC1 1829418049 WLPSGKMUDHZQPJ-OAQYLSRUSA-N 465.560 5.326 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1)C(F)(F)F 1829702057 UKZFIMGITSOVCC-LJQANCHMSA-N 468.903 5.438 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830529977 YBDCFMGJOBIXBM-LJQANCHMSA-N 496.467 5.810 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1F 1830627425 WWRMCXQVJOXPOQ-HHHXNRCGSA-N 475.608 5.066 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1831369892 GFBHRDCHKTWNEP-RLWLMLJZSA-N 475.633 5.203 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1)C(F)(F)F 1831451330 RQEIVCWPFAXMLC-CQSZACIVSA-N 469.356 5.407 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1)C(F)(F)F 1831453793 LALNSANMIBVPIH-LJQANCHMSA-N 490.925 5.230 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1831505946 DXUJSVJIDLVRJQ-NBGIEHNGSA-N 478.036 5.639 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)cc2C)CC1 1832030663 WPGRRNJWESOFDX-QHCPKHFHSA-N 473.455 5.184 30 20 JKED C[C@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832037462 PQUFDTFWHMPYTM-AWVRMFGXSA-N 471.645 5.426 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564914 QUULRMVMLKCYTD-UTKZUKDTSA-N 482.452 5.336 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(Cl)c3)CC2)CCC1 1832785149 JUYIAYLNHKBMCW-FQEVSTJZSA-N 492.845 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Br)c(OC)cc3o1)C2 1841058103 FTUNLHRTCVTFOI-UHFFFAOYSA-N 489.410 5.013 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccc(OCc2ccccc2)cc1)C(C)C 1847829025 VWVBGXMUKFXXBE-FWEHEUNISA-N 494.701 5.161 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 8641566 BCRPABFVVKYVSK-MWTRTKDXSA-N 453.999 5.123 30 20 JKED Cc1ccc(Cn2c(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)nc3ccccc3c2=O)cc1 8954309 ROXXQZJHXFKMGK-NRFANRHFSA-N 482.609 5.181 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c(C)s1 11159820 QXZYFIOIQHEFSZ-UHFFFAOYSA-O 452.408 5.716 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(N(C)C)cc1 11257721 ZMIHMUPVCZMOSU-UHFFFAOYSA-O 460.957 5.331 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(COc4ccccc4)cc3)s2)cc1 14621317 JJXCNSHYVMSTFH-UHFFFAOYSA-N 458.568 5.533 30 20 JKED N#CCC[C@@H](C#N)CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 15236934 MEJYCARTOAYYGY-BKQORJHRSA-N 473.360 6.053 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22692578 LKNIJWNWRNVTEO-UHFFFAOYSA-O 467.614 5.302 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)s1 22733139 JUDFUPUOAMTLSZ-UHFFFAOYSA-O 478.490 6.999 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 23517658 SIJWCVLPAOGWTQ-UZLBHIALSA-N 485.009 5.366 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)s2)cc1 24826999 SOWPPJLPHRWFTA-UHFFFAOYSA-N 486.504 5.159 30 20 JKED COCc1c(/C(O)=N/c2nnc(SCc3ccc(Cl)cc3)s2)sc2cccc(F)c12 26363273 JOAIQNSZPRFHHI-UHFFFAOYSA-N 480.011 6.620 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2cc(OC)c(OC)cc2C)c1=S 27530042 SOXHBFUPNUGNIN-UHFFFAOYSA-N 459.015 5.336 30 20 JKED CC(=O)Nc1ccc(/C=C2/CN(C3CCCCC3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 58191930 RXLWJTILWJQDOD-DRPBVWSQSA-N 471.601 5.288 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2c2ncnc3sccc23)cc1Cl 97547275 YYBJQSLAIOKGBJ-RBBKRZOGSA-N 473.989 5.608 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1nc2cc(Cl)ccc2s1 195664301 HHZWJKHQOSGGAD-HNNXBMFYSA-N 461.909 5.555 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 247656174 PJYGELKNEBNMQM-UHFFFAOYSA-N 495.395 5.629 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 250684009 CMILMWBLVNLJSZ-RBIWONGKSA-N 457.669 5.150 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cc(Br)ccc2I)c1 303133783 CIIAYEKKMXBUHA-UHFFFAOYSA-N 472.120 5.261 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 303266535 QGAGLNRFVIPIQG-IBGZPJMESA-N 465.550 5.182 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1cccc2cnccc12 303417157 WWIXEBQAGHXXJI-HSZRJFAPSA-N 478.943 5.685 30 20 JKED COc1cc(CN(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1SC 476436797 SEUMKMYGVRUIGI-UHFFFAOYSA-N 460.559 5.205 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 478941242 UPKCPKFJTXBXSA-UHFFFAOYSA-N 489.963 5.084 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccn(-c4ccccc4)n3)s2)c(C(F)(F)F)c1 487387545 LDEPYCQFEUCZMF-UHFFFAOYSA-N 453.449 5.062 30 20 JKED C=CCn1c(SCC(=O)NCc2ccccc2OC(C)C)nnc1-c1ccc(Cl)cc1Cl 497410811 LCMREISCEHYYRG-UHFFFAOYSA-N 491.444 5.634 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1 497818421 UNQUPUZDQPSZRV-UHFFFAOYSA-N 467.525 5.063 30 20 JKED C=CCN(C(=O)Cc1ccc(NC(C)=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 498718660 VKAZJMWMNCIQAU-UHFFFAOYSA-N 467.594 6.197 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 499750339 OSQXZJTZDGCNNG-UHFFFAOYSA-N 495.505 5.230 30 20 JKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 502653510 SHUNWAULEPWWFM-UHFFFAOYSA-N 462.594 5.273 30 20 JKED N#CCCCOc1cccc(NS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)c1 502861531 LHMOYAOEXWMJAY-UHFFFAOYSA-N 478.393 5.056 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)cc1 511337190 FYJLDXYGDMZMAN-DEOSSOPVSA-N 498.583 5.055 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1OCCc1ccccc1 512510689 XGVXQGVNMSPUMQ-UHFFFAOYSA-N 495.373 5.358 30 20 JKED CCOc1cc2c(cc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)O[C@@H](C)C2 515336523 XXZQWTISFNPBHJ-SFHVURJKSA-N 458.583 5.503 30 20 JKED CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515795327 LBNFXQBIVSBPII-UHFFFAOYSA-N 462.937 5.397 30 20 JKED CC(C)c1ccccc1N(C(=O)CSCc1ccc(C#N)cc1)c1nc2ccccc2s1 517325407 FGGZMHAYEWPSIV-UHFFFAOYSA-N 457.624 6.889 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)cc1 517491735 CKUSNPDYWJCHGC-VWLOTQADSA-N 460.599 5.261 30 20 JKED C[C@@H](c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1)N1CCOCC1 517904987 XCAGMAKUOBNNTN-NRFANRHFSA-N 472.564 5.325 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(F)cc2Cl)cc1 518671968 MZKDCZVDOSHLOD-XDHUDOTRSA-N 496.007 5.884 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1ccccc1C(F)(F)F 518739170 RFIAZMJFYHMAOP-OAHLLOKOSA-N 472.492 5.206 30 20 JKED Cc1cc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)ccc1Oc1cccnc1 518895584 WNRFSJDMHGLNSU-UHFFFAOYSA-N 468.473 5.120 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2Br)on1 520013332 VYMHMCNZGKYDGA-UHFFFAOYSA-N 494.370 6.177 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 522424965 GIVZJVZPDVGXTB-REWPJTCUSA-N 458.953 5.557 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 523917672 XPOUHOMQVBEATQ-KRWDZBQOSA-N 461.031 5.117 30 20 JKED Cc1nnc(SCc2c(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)oc3ccccc23)s1 550051922 MWXRUTMSFRPHPN-UHFFFAOYSA-N 462.600 5.808 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 588741157 TXFOCNBURZNHKD-QHCPKHFHSA-N 499.533 5.212 30 20 JKED COCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 591862271 MTZCLJOUCGJARI-MRXNPFEDSA-N 486.475 5.016 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)cn2)cc1 603763463 AMPIMBGLFQRHGV-UHFFFAOYSA-N 459.893 5.410 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)c2)cc1 603814636 XSOYWBJTEXDMQW-UHFFFAOYSA-N 459.933 5.364 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)c1ccccc1Cl 604019148 HWUBEDDUEHHCLD-UHFFFAOYSA-N 478.383 5.691 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(CN4CCCC4=O)cc3)cc2Cl)cc1 604090348 VXNXINBVHHKART-UHFFFAOYSA-N 474.948 5.448 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4Br)o3)cn2)c1 604302657 GLNSITOBCSAQOV-UHFFFAOYSA-N 489.329 5.734 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 604488527 SDQJENDPGPVJQM-UHFFFAOYSA-N 472.932 5.091 30 20 JKED COc1ccccc1CC1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 608840886 FMWBANQLLZQYEX-UHFFFAOYSA-N 468.557 5.306 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 608916578 LFGBMQJNKAUUHC-UHFFFAOYSA-N 466.585 5.523 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(Br)ccc3Cl)c2)c1 609016062 ZLYGJPMXTRNPAW-UHFFFAOYSA-N 490.766 5.027 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(COc4ccc5c(c4)OCO5)c3)o2)cc1 609058109 UYITVHBWNQRPJF-UHFFFAOYSA-N 468.465 5.290 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSCc1cc(-c2cccs2)on1 609061233 XCGFMQNYUKZTMO-UHFFFAOYSA-N 475.595 6.034 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1C 609112263 GUIXGIVMADIVTG-UHFFFAOYSA-N 496.640 5.348 30 20 JKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 609199450 MNZVMLXGPNDGSO-UHFFFAOYSA-N 498.608 5.857 30 20 JKED Cc1nc(-c2ccc(CNC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2)cs1 610420596 MHGNXMWJBSKWES-UHFFFAOYSA-N 498.633 5.651 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346628 MPGKREBEMMIYEA-SFHVURJKSA-N 498.391 6.791 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2cc(Cl)ccc2s1 613407062 GZOGLGIFPNKRNL-CYBMUJFWSA-N 464.831 5.783 30 20 JKED O=C(NCc1cc(F)ccc1Br)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615772573 NJPZTSBVMNAQHE-IAZYJMLFSA-N 465.207 5.297 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1NC(=O)c1ccco1 642282175 QZQUHJYAUMEWSN-HNNXBMFYSA-N 469.444 5.959 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)s2)cc1 642282486 VYJJNNKPMWUUGD-INIZCTEOSA-N 452.486 5.752 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(OC)ccc1OC 726400085 YQVGHPQJWBSOFW-SFHVURJKSA-N 494.400 5.157 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(C3CCCC3)C2=O)c1 726422521 XAEJFBAOCQVOFE-QDKFNBQJSA-N 457.621 5.089 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 726756055 WHXMCGMAOFJCOD-UHFFFAOYSA-N 485.594 5.634 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)Cc2cccs2)cn1 726888416 MNRNRPGHEWPZOE-DYESRHJHSA-N 494.642 5.052 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)cc1Cl 726891786 QOFPCUOXCVBHMP-HXUWFJFHSA-N 457.983 5.088 30 20 JKED N#C[C@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccccc1 728147321 FFXCTKIOJUYPCD-XMMPIXPASA-N 455.945 5.623 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(CCc3c(C)noc3C)C2=O)cc1 730444731 OJMPKMRMUMHSFD-XMMPIXPASA-N 490.629 5.420 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(CC)c3)N(Cc3ccccn3)C2=O)cc1 730537790 PIZGBYRHRWBWQM-DEOSSOPVSA-N 488.613 5.203 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccc(F)c(Cl)c1 730719691 ICNYNFBEKJGGAM-SFHVURJKSA-N 493.347 5.281 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccccc1F 730720391 JURZACSIDLVZLA-SFHVURJKSA-N 493.347 5.281 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(C(C)C)c2)s1 730726585 ICZGRCZYUWCQQG-FQEVSTJZSA-N 479.631 5.130 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731108558 VPUPDVHFUBDGIU-SANMLTNESA-N 459.521 5.776 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)o1 731307756 VGPWRROXUARCJT-LDLFBNOTSA-N 493.560 5.408 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2C)cc1 731308800 QAFRVVGOVYVJAP-DEOSSOPVSA-N 489.597 5.178 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)cc1 731309322 VTGKREPQLGOUNO-KOSHJBKYSA-N 488.613 5.632 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(Cl)s2)C1=O)Nc1cccc(O)c1 731310529 JVRONKHZQVXTAX-GOSISDBHSA-N 489.981 5.407 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 731399867 HMRANDLDRFTFCM-NQIIRXRSSA-N 472.655 5.724 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] 743470903 ZCZAYNGMOFWOJM-CQSZACIVSA-N 499.321 5.061 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746999072 IMXWTXMKMNZNLI-QHCPKHFHSA-N 476.374 5.092 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)cc1C 747603627 UUYZUSSFUWYHCQ-FQEVSTJZSA-N 468.579 5.060 30 20 JKED N#CCN(Cn1nc(-c2ccc(Br)cc2)n(CCc2ccccc2)c1=S)C1CC1 747789227 HHILHGCMBQALKJ-UHFFFAOYSA-N 468.424 5.032 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(-c4ccccc4Cl)s3)CC2)c1 749147206 FIOWCLGLJVVLEZ-PKNBQFBNSA-N 476.001 5.831 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)ccc1OCC(F)(F)F 750931363 OPNRGSGLFZJSKS-UHFFFAOYSA-N 456.877 5.109 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3c(C)nc4sc(C)cn34)cc2)cc1 797050461 VIVHKHXGONKJSK-SEYXRHQNSA-N 451.573 5.018 30 20 JKED CCN(C(C)=O)c1nc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cs1 797169034 SECCVSGKXPKONJ-DEDYPNTBSA-N 482.005 5.691 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 797185500 GRXUNPLVTOZJRF-CSKARUKUSA-N 459.420 5.529 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(SC(F)F)cc1 799210983 YLNGKAUIRDXSPG-LJQANCHMSA-N 473.570 5.212 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(CC(F)(F)F)C2=O)cc1 799215710 WQWGOILMQLBWMK-LJQANCHMSA-N 479.524 5.225 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N([C@H](C)c3cccnc3)C2=O)c1 837454401 BXVHMQYDDRNZRA-DVECYGJZSA-N 488.613 5.429 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 837669005 ZIIIGXGNUBUSDK-PXDATVDWSA-N 486.641 6.037 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 838277378 NLKCKNBPFHBSMT-JPYJTQIMSA-N 458.587 5.366 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccccc1F 838480834 DOKBSXZDRJFBCG-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NCc3cc(C#N)ccc3Br)cc2)cc1 863997216 VPEWXSWAIOZQAZ-UHFFFAOYSA-N 450.336 5.584 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 911527089 WCNJELDPKUQZSD-NSHDSACASA-N 475.159 5.496 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3sccc3C)C2=O)c1 914546336 NPDRNGZLPRYISS-OAQYLSRUSA-N 495.626 5.234 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C)cc1 915102783 HHGNHPPFJHDHTF-UYAOXDASSA-N 472.397 5.869 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1C 915179311 BZPTXNINUBMAQM-DEOSSOPVSA-N 453.571 5.270 30 20 JKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ncc(Cl)cc1Cl 915512237 QBFZHEAXYSJREM-AWEZNQCLSA-N 470.312 5.023 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cccc(Cl)c1C 916205738 LFBBYTFZBZZFGP-FQEVSTJZSA-N 475.998 5.036 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccn3)C2=O)cc1 916210383 CVQLTZKCVCXVJM-QHCPKHFHSA-N 492.576 5.170 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=Nn2c(S)nnc2-c2ccccc2Cl)cs1 916277117 UIQSEJHVUBNFAH-UHFFFAOYSA-N 489.413 5.564 30 20 JKED Cc1csc(SCc2c(C(=O)[C@H](C#N)c3nc4ccccc4s3)oc3ccccc23)n1 916846036 DZCYNLXYMJMIAA-HNNXBMFYSA-N 461.593 6.590 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)c1 916846429 VHNIEUCZTVEXSL-IBGZPJMESA-N 462.552 5.171 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2)c(OC)c1 916898893 FSFQTGHHKQFZHF-QHCPKHFHSA-N 456.542 5.360 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1Br 916911169 WCJGNTNZLLIQMD-KRWDZBQOSA-N 495.329 5.220 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 916928146 UZVJYLRJMXQWDO-AWEZNQCLSA-N 469.752 5.795 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)cs1 917562283 YUOVTMURUSIXGD-WTKPLQERSA-N 486.207 7.337 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)s1 917664199 LDVGDEHYQIJVRM-FQEVSTJZSA-N 471.554 5.495 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(F)(F)F)c1 917714896 SWYRUNDLHOTQFN-SFHVURJKSA-N 467.488 5.472 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(C=NNCc2ccccc2Cl)cc1OC 918153471 VZKFCPGRZYCADZ-UHFFFAOYSA-N 488.371 5.152 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1 919908520 JDOJAWDKKABTEM-ZUSYLBMNSA-N 476.602 5.022 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 920234422 GUAOLEHHLVRHPP-DNQXCXABSA-N 476.374 5.710 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920323620 DGGDHNGRVGJXCD-NRFANRHFSA-N 484.943 5.471 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 920328997 WYYKEKKDVXUIMB-NQIIRXRSSA-N 471.003 5.672 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N(C)c2cccc(C#N)c2)c1=S 920346131 LZHOURYNECSYSY-UHFFFAOYSA-N 453.999 5.459 30 20 JKED CC(C)(C)NS(=O)(=O)c1ccccc1NN=Cc1sc(Oc2ccccc2)nc1Cl 920376699 OFYVQGVSLZFMMF-UHFFFAOYSA-N 465.000 5.112 30 20 JKED COc1cc(/C=C\C(=O)c2sccc2Br)c([N+](=O)[O-])cc1OCC(F)(F)F 921265797 SDKJVDXUTDQMES-IHWYPQMZSA-N 466.231 5.265 30 20 JKED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCCc2ccccc2)C1 1783218107 AVIWFVGGPVQJBJ-GGXMVOPNSA-N 468.682 5.440 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](c4ccc(Cl)cc4)N(C)C)CCC3)cc2)C1 1785810564 ZXQXFURTSQOSSY-QHCPKHFHSA-N 451.998 5.043 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ncc(OC(F)F)cc3Cl)cc2)CCC1 1787110125 HFMYQGHWJUPFMI-UHFFFAOYSA-N 493.938 5.067 30 20 JKED CC(C)(C)OC(=O)NCCCCCCCCC(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787885183 AJFSKPCXVODECA-UHFFFAOYSA-N 498.668 5.680 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)cc(C)n1 1788835453 LWMOQQGGRRJTFK-UHFFFAOYSA-N 466.585 5.205 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc4cccn4cn3)cc2)CCC1)c1ccccc1 1789095746 LRBLVMXZYIZBJV-AREMUKBSSA-N 476.580 5.279 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3=CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789452884 CWQIPOXZRXAGRK-DEOSSOPVSA-N 493.648 5.456 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CN(Cc3ccco3)C(=O)OCC)CCC2)cc1 1789458220 QOLDINPTWGJUHP-DEOSSOPVSA-N 493.604 5.141 30 20 JKED COc1cnc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c(F)c1 1789507750 SXDZPHBHSPDODB-UHFFFAOYSA-N 481.644 5.028 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@H](C)n3ccnc3C)CCC2)cc1)c1ccccc1 1789601509 VJBMUOFGPSQRBI-LVXARBLLSA-N 468.601 5.084 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nn4)cc3)CCC2)cc(C(F)(F)F)c1 1789711446 DZMKBJRSBCXIGZ-UHFFFAOYSA-N 499.880 5.082 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)cc2)CCC1 1790006907 HGETYBWZTGRKBX-HXUWFJFHSA-N 492.579 5.016 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)Cc4n[nH]c5cc(Cl)ccc45)cc3)CCC2)cc1 1790370935 IMXJWVYFTGYVGF-UHFFFAOYSA-N 497.986 5.007 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c(F)ccc(O)c4F)cc3)CCC2)c1 1790754405 QZGODTHXLCDRAW-INIZCTEOSA-N 475.495 5.359 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)cc2)CCC1)C(F)(F)F 1791526192 CDTGUCQBWZCZJX-IBGZPJMESA-N 497.558 5.036 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)cc3)CCC2)c1 1792151770 LBBJXNPRGKDOHH-UHFFFAOYSA-N 489.579 5.329 30 20 JKED Cc1ccccc1NCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168314 MCTJJPUMZVNHRW-UHFFFAOYSA-N 496.611 5.514 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C4CCC(NC(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1792211878 QZFMNZCYYLXRED-UHFFFAOYSA-N 481.637 5.170 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4cc(F)cc(F)c4)CCC3)cc2)CCC1 1792229835 BHLIXOOXGRYESW-UHFFFAOYSA-N 486.522 5.468 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5ccc(Br)cc45)CCC3)cc2)CCC1 1792230455 PAVVXLMXPFPRFG-UHFFFAOYSA-N 491.389 5.372 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(OC)c(Br)c1)C2 1798590743 HPSNXHVIPZUEMJ-ACDBMABISA-N 491.470 5.021 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccccc4)n4ccccc24)C3)c1 1800685276 ZTWFNDIZZRTIMM-NUNAXRQHSA-N 492.554 5.183 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)(C)C)cc1)C2)c1ccc(O)cc1 1802423081 BAJYZDNQQYFXOX-ZKGSSEMHSA-N 488.628 5.019 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@](C)(OC)c2cccc3ccccc23)[C@H]1c1cccnc1 1802433218 WDCKXWLVIFQVQJ-ILZVUUHMSA-N 485.628 5.015 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1803081777 HWPHTEKCDNVXDG-JYFHCDHNSA-N 466.025 5.142 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)CCCc3ccccc3F)[C@@H]2c2cccnc2)c1 1803120699 GLXQSAJECCKXKU-FCTLNWHPSA-N 498.602 5.190 30 20 JKED CCCCCc1cccc(CC(=O)N2CC[C@H](CNC(=O)[C@H](S)C(C)C)[C@H]2c2cccnc2)c1 1803605001 ZSSDPLGPQCBKQG-ZRJLEYOISA-N 481.706 5.017 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CSc2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1806606837 COEMSRXWNPFMNU-MDZVADFISA-N 497.664 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808159404 KTABSYINSHHMGJ-CPJSRVTESA-N 493.051 5.837 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1808742922 LFVBZGWWBNASPD-OARDWFSCSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)s2)[C@H]1c1cccnc1 1808800123 YYURSGGMRAKFAP-XUZZJYLKSA-N 465.663 5.529 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1809850832 XOFIUFJIVUEDJQ-SWHJIRTISA-N 477.605 5.523 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ncsc23)[C@H]1c1cccnc1 1809955343 GVGBOVDKVPJKND-DENIHFKCSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1810172928 CTEVSHPVTWIJCV-LYHRCORUSA-N 490.406 5.616 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1810488141 DDKCMOFTZXRVFY-NJPOHOMDSA-N 451.636 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1810495653 UIMLYCNIYOVBFN-XTEPFMGCSA-N 469.629 5.476 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1812451096 HKUBMGKVLBITEM-REIDKSKDSA-N 474.432 5.239 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)CC1 1812790958 ZOPWUKABJJCJPW-HBNGBVNPSA-N 476.596 5.018 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1 1812808172 FHXHCYLPLFXPMU-AHWVRZQESA-N 460.622 5.269 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1813226315 MVGQJCXWQOEAPR-SVEHJYQDSA-N 481.596 5.387 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(Cl)c2)[C@H]1c1cccnc1 1813859866 YOGLDLYZWVTYPL-PGRDOPGGSA-N 457.977 5.186 30 20 JKED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@@H]2c2cccnc2)CCC1 1814050341 CXLNFEUSBOFFJG-GBXCKJPGSA-N 488.975 5.008 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n[nH]2)c1 1814372053 HLXIGFAJXBHQSI-QFIPXVFZSA-N 490.926 5.175 30 20 JKED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)CC2 1814501297 CTOQHSKXVFZXIK-LJQANCHMSA-N 496.592 5.618 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1)Oc1ccccc1 1819387066 XGRVJKFOFADJKW-XUZZJYLKSA-N 494.712 5.311 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1)c1ccccc1 1819517293 WBJWYGRKXJDFLV-FYYLOGMGSA-N 482.575 5.425 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ncccc23)n[nH]1 1820121245 PWUUKMKPLIIUNU-DFBJGRDBSA-N 494.599 5.538 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]n2)c1 1820206080 DOGBEVZPIBMAST-VWLOTQADSA-N 497.599 5.108 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[nH]n2)c1 1820484599 DKMPUNBAJPLGDN-XJUOHMSHSA-N 473.964 5.044 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4)n[nH]3)cc2n1 1820485020 LLETTZVBYUTHAM-XMMPIXPASA-N 498.974 5.411 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821309187 YMTXTBVRXBTSBB-KRWDZBQOSA-N 497.468 5.287 30 20 JKED C=CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(c3)c3ccccc3n4CC)sc2C1 1821424629 KWOBLCUDSSYXHU-QGZVFWFLSA-N 458.587 5.073 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821527706 LUYIYEVYNRVFNW-VQIMIIECSA-N 467.595 5.040 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)ccc2[nH]1 1821582560 VIDCEYNLLXASNC-VWLOTQADSA-N 480.572 5.010 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1 1821926106 IQXGTQSSJTYKIW-UGKGYDQZSA-N 454.640 5.246 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]n1 1822380807 FDQCQJYONINARD-MZNJEOGPSA-N 485.613 5.249 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ncsc34)[nH]n2)c1 1823214794 KMOQJXIEKFSLKZ-OPAMFIHVSA-N 484.585 5.266 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)c3ccccc3)[nH]n2)c1 1823215934 KTOOVGJZHGKMJH-YDIMBITNSA-N 455.562 5.146 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823218508 SGYRVDNRZVSTSM-HOYKHHGWSA-N 455.562 5.219 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)CC1 1824041296 YJLGYBNYASPKEF-VPUSJEBWSA-N 461.650 5.109 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1827715028 QZMNIRNZMDMDPT-VWLOTQADSA-N 482.584 5.069 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c1 1828009936 QVDDJSOQADNKBJ-NDEPHWFRSA-N 481.596 5.267 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828167482 FBQIFIPUUZYAAZ-RSXGOPAZSA-N 481.706 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)CC1 1828526350 SWZNUTNKWWNCPW-HSZRJFAPSA-N 466.622 5.667 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)c1 1830169240 IYMQGZKYGLXRTQ-YIXXDRMTSA-N 483.697 5.382 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1830418785 AGZYYVSUCBIDCE-LAUBAEHRSA-N 482.452 5.336 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1830455426 BLQHPVKAQUVRJW-CLJLJLNGSA-N 477.649 5.037 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC(C)C)cc2)CC1 1830692921 QRMMAJKQHCWQDH-AREMUKBSSA-N 454.655 5.101 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1831446423 LPQYCAJJNWSIGJ-HXUWFJFHSA-N 464.940 5.531 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C)c2)CC1)C(F)(F)F 1831453354 QQNJKWMTYIXDIH-LJQANCHMSA-N 487.360 5.109 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831716972 OXAMANDOQSGPFX-SDHOMARFSA-N 499.493 5.366 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1831848805 LYVXQVJYWCGBMR-SANMLTNESA-N 457.618 5.094 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1832093247 VQGYUUCEOLZUBT-XMMPIXPASA-N 491.598 5.421 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)Cc3ccco3)CC2)cc1C#N 1832283523 GBJKCOWEZSMSFB-LVXARBLLSA-N 491.632 5.051 30 20 JKED CCC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1)n1cccc1 1832631138 RNWYSPFOPISYEB-ZDJNHPEVSA-N 474.649 5.390 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)oc2ccccc12 1832631865 IORGDEWETLOPGB-FQRUVTKNSA-N 483.612 5.915 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)CC1 1836697071 MWUKYPAHDLJPHD-UHFFFAOYSA-N 487.644 5.129 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)CC1 1838373599 YQFOVZYVXVNXNY-BJKOFHAPSA-N 485.068 5.137 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(Br)cc(C(C)C)c2)C1 1845530144 ZUBBUWQGVBVMQT-NRFANRHFSA-N 459.428 5.158 30 20 JKED CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC(=O)N(CC#N)c1ccccc1 9746861 ZDQOCCSZNKYSSF-UHFFFAOYSA-N 473.554 5.033 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(C)c2)cc1 10167518 ISPXXGXLGNZBBH-UHFFFAOYSA-O 457.663 6.726 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 10174514 LPWMHDOJGSMVJQ-UHFFFAOYSA-O 479.669 6.795 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(CO)c2)c1 10836769 UOEHHUUEBRKWCK-UHFFFAOYSA-O 460.406 5.441 30 20 JKED C=CCn1c(SCc2nc(-c3ccsc3)no2)nnc1-c1ccc(Cl)cc1Cl 11149478 IRECVZLTOOYJRT-UHFFFAOYSA-N 450.376 5.842 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11163593 VAVGTXIRDTWZOY-UHFFFAOYSA-O 491.680 6.721 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1 16023623 GRKHBIFFHRZYPR-UHFFFAOYSA-N 468.962 5.176 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3sc4ccccc4n23)n(Cc2ccc(F)cc2)c1C 16628388 WRPOXKXBBBMCRY-UHFFFAOYSA-N 490.589 5.152 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 21089129 PHCVBNCQZRXXRC-SFHVURJKSA-N 477.373 5.014 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12 23518604 DWKSJXNLPWGWGV-OALUTQOASA-N 490.604 5.693 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1nc(-c2ccc(C(F)(F)F)cc2)no1 25606332 UEKROEGOQDRCRI-UHFFFAOYSA-N 496.474 5.149 30 20 JKED C=CCN(C(=O)CSc1nncn1C(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 27575696 ILMLTMFQOPCCFW-UHFFFAOYSA-N 468.435 5.601 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1-c1ccccc1OC 32326413 WOZOLFCIUZDCTL-HXUWFJFHSA-N 491.444 6.202 30 20 JKED O=C(Nc1ccccc1)C(/N=N\c1ccc(Cl)c(Cl)c1)=N\Nc1ccc(Cl)c(Cl)c1 100391862 NWBMTQGQGQZCTK-MTNYMUFXSA-N 481.170 7.448 30 20 JKED COc1ccc([C@H]2[C@@H](C(=O)Nc3sc(C)c(C)c3C#N)CCC(=O)N2c2ccc(OC)cc2)cc1 104683560 VVEUBIWZQVUIFY-DHLKQENFSA-N 489.597 5.377 30 20 JKED COc1ccc2cc([C@@H](C)C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)ccc2c1 208949119 NHAQEMGVUPZWNW-OAHLLOKOSA-N 460.584 5.606 30 20 JKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481685101 LUZBDMPYBLTEFN-UHFFFAOYSA-N 463.509 5.348 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 483350974 LJZZOCKKXZUYLS-UHFFFAOYSA-N 457.599 5.900 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nncn4C(C)C)c3C#N)C(C)(C)C2)o1 500822626 MICXNGNAHGCVOC-CLFYSBASSA-N 493.658 6.203 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc1 508285120 ZNYHLCNWXIWSIC-OAHLLOKOSA-N 453.445 5.843 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4cccc(COc5ccc(CC#N)cc5)c4)CC3)c2c1 510607018 FPNCQVNDUUOSIZ-UHFFFAOYSA-N 494.595 6.233 30 20 JKED CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)[C@@H](C)c1ccc(C#N)cc1 512284077 WTXJKRHUDHYORG-HNNXBMFYSA-N 492.362 5.889 30 20 JKED CC(=O)N1CCCc2cc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc21 513869812 QJGOPEGTGTUWCO-UHFFFAOYSA-N 456.521 5.231 30 20 JKED C[C@H]1C[C@H](C)CN(CCCCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 514137352 FLHPBFFBLKRXII-VXKWHMMOSA-N 450.602 5.167 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1nc(-c2ccccc2)cs1 514301815 ZEWSYJHVLVACJY-IBGZPJMESA-N 481.643 5.206 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 514451313 FKAIEBCFOGWBDP-UHFFFAOYSA-N 480.362 5.464 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)c2C#N)C1 514844599 ZLZOSBFPLCIJBY-CYBMUJFWSA-N 458.008 5.615 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[nH]2)nnc1-c1ccc(C(C)(C)C)cc1 515302395 IIAWCEGCIALRPF-UHFFFAOYSA-N 493.658 5.530 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)s2)cc1 515936330 NDWCELNVUNFOJZ-UHFFFAOYSA-N 498.593 5.181 30 20 JKED CCCCC1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1 518159149 XAWNDXBGTCHMEF-UHFFFAOYSA-N 455.546 5.515 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 518676872 UYHJBKDUDWPPAP-CVDCTZTESA-N 455.583 5.051 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nnn1-c1ccc(OC(F)F)cc1 518690471 LVRYKRZOHUMAFJ-UHFFFAOYSA-N 493.445 5.019 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 521811122 UBMLXRBVUOSPTE-ORAYPTAESA-N 468.381 6.132 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)c1 522401830 NNDFZNAWFFCPOI-NWVWQQAFSA-N 465.981 5.435 30 20 JKED N#C[C@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc(-c2c(F)cccc2F)cs1 522474370 SOWGDQYFTKAUOO-SNVBAGLBSA-N 459.449 5.980 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 561329807 PXSBFBCHGHWVBE-UHFFFAOYSA-N 486.959 5.456 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1nc(-c2ccccc2)cs1 576523532 RKNKNXGQCYKLPI-QGZVFWFLSA-N 492.354 5.908 30 20 JKED N#C[C@@H](C(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1ccc(C(F)(F)F)cn1 588348632 UBCATPNFQDZQFW-MRXNPFEDSA-N 470.834 6.569 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 603669064 GZIJWTKIJXMKGD-UHFFFAOYSA-N 486.597 5.299 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 603723262 DSQXJWWOXQIVNY-RUZDIDTESA-N 480.499 5.037 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)c(C(F)(F)F)c1 604022727 WONHRQQEKJVIES-SFHVURJKSA-N 454.520 5.036 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] 608875188 LWKASKYMACRDCP-GOSISDBHSA-N 497.964 5.001 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)cc2Cl)c1 609077632 IASQTRFRTCPGAK-UHFFFAOYSA-N 475.961 5.453 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(Br)s1 609078720 KJRGNCNRLCVKFP-UHFFFAOYSA-N 456.365 5.591 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c3cnn(C(C)C)c3n2)c(C)o1 609185194 QLXRPDOSOWGIPI-UHFFFAOYSA-N 483.572 5.444 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3SCc3cn4ccccc4n3)CC2)c1 609185301 WBKWLCQCCKTMDN-UHFFFAOYSA-N 468.582 5.182 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609378323 CDKVPNFTOJRCIG-ZDUSSCGKSA-N 467.538 5.789 30 20 JKED Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1 609384497 INDYABWTLFSFTG-FQEVSTJZSA-N 479.627 5.223 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCSc1ccc(Cl)cc1 609400193 QDXNKOKEGJOZCP-UHFFFAOYSA-N 487.956 5.212 30 20 JKED N#C[C@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccc(F)cc1 609600479 HQPVWFYSDFCPGR-CHMLTUNVSA-N 472.501 5.655 30 20 JKED O=C(NCCCNc1ccc(C(F)(F)F)cn1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612723318 CYRQXTGIUWTCKJ-ITGUQSILSA-N 480.375 5.111 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 613426968 MBBSJKLGHMQMME-HZPDHXFCSA-N 491.444 5.708 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 619209901 FCBZLRWLARSBIZ-UHFFFAOYSA-N 479.989 5.720 30 20 JKED O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622459757 YPTGFQZTMGLXIT-FCEWJHQRSA-N 480.399 6.021 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccc(F)cc1 677646279 KMTXCZWLHMRVTO-HSZRJFAPSA-N 458.562 5.420 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccc2F)cn1 726112140 MJVJSGFMAMECCE-OAQYLSRUSA-N 499.999 5.164 30 20 JKED CNC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2ccc(Cl)cc2Cl)N(Cc2cc3ccccc3[nH]2)C1=O 726396330 JEYUGUNVGLLJCH-ANPOOOPPSA-N 489.428 5.172 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 726403342 ZYPJGMXSRKRJIG-UZLBHIALSA-N 493.551 5.399 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C#N)c(Cl)c1 726405405 FAVVBFCNVDYMLS-LJQANCHMSA-N 491.400 5.244 30 20 JKED N#Cc1ccc(NC(=S)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)cc1Cl 726446940 JKZLSUHALZXTII-UHFFFAOYSA-N 462.381 5.490 30 20 JKED N#Cc1ccc(NC(=S)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1Cl 726474150 APSOYWGYQYNINM-UHFFFAOYSA-N 453.917 5.265 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2cccc(C)c2)cc1F 726575372 GPMZTEXEVWRJDI-UHFFFAOYSA-O 480.585 5.160 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 726692309 VRQVSMUOAPCXSP-UHFFFAOYSA-N 479.703 5.486 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCc2ccc(Br)cc2)cs1 726741534 OPAPOSBFWOAKEF-UHFFFAOYSA-N 497.340 5.733 30 20 JKED CCOc1ccc(OCC)c(N2C(=O)/C(=C/c3cccc(OCCCC#N)c3)SC2=S)c1 726985942 HISSTXAOBXSPFH-JCMHNJIXSA-N 468.600 5.572 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=S)Nc2ccccc2C(C)C)cs1 727061597 JLKHAZIACGWJFE-UHFFFAOYSA-N 451.621 5.580 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNCc1ccc(F)cc1F 727062188 RJVFHUBNWJGCGL-UHFFFAOYSA-N 456.452 5.048 30 20 JKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 727985643 HLDBOOMZVCGMRD-UHFFFAOYSA-N 455.514 5.232 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1cccnc1 728424690 GRZRJXHKCUEJSC-KOSHJBKYSA-N 483.597 5.237 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1Cl 728737326 LNKGGFYWUFAUOK-DENIHFKCSA-N 473.882 5.869 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(CCCCC#N)C2=O)cc1 728776123 JAYVPFPGIIGRAV-FQEVSTJZSA-N 489.428 5.956 30 20 JKED O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 729555963 KFJIAGLKJFTLOC-KRWDZBQOSA-N 490.759 5.114 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2nc(C(C)(C)C)cs2)C1=O 729631163 KBMMKWIWABWCQJ-HNNXBMFYSA-N 499.489 5.058 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1)c1ccc2ccccc2n1 730686838 QRVKINGOCKFVDB-UQBPGWFLSA-N 475.317 6.133 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cc1F 730717993 DSGMWHZDSKQGSW-URXFXBBRSA-N 489.576 5.036 30 20 JKED COc1ccc2cc(/C=C/C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2c1 731070833 UGUXSJHGGVDFBJ-HCWHUNCVSA-N 460.555 5.438 30 20 JKED Cc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c3c2CCC3)c(C)c1 731077763 JZLDTJNNUJVSAA-IBGZPJMESA-N 488.613 5.168 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 746696519 ONCZCYNSXDSXAA-NRFANRHFSA-N 492.016 5.565 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cc(Cl)c(O)c(OC)c1)C(=O)c1ccccc1 747150605 RIRXSCYDIZKNOM-KGENOOAVSA-N 463.961 6.084 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 749047885 KEJLVEVUGYJZRZ-INIZCTEOSA-N 484.387 5.222 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)ccc1Cl 809292522 GIAZIQUTKWUURF-UHFFFAOYSA-N 475.998 5.107 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C(C)C)nc3onc(C)c23)n(C2CCCCC2)c1C 813374445 DDYHTBNTOCFTDW-UHFFFAOYSA-N 477.565 5.245 30 20 JKED COc1ccc(-c2nc(SCC(=O)N(Cc3ccccc3)c3ccccc3)nc(O)c2C#N)cc1 824964436 XFYUWWZMQUFCEX-UHFFFAOYSA-N 482.565 5.055 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(C3CCN(C4CC4)CC3)C2=O)cc1Cl 837550435 YJJNALSHKITWRE-QHCPKHFHSA-N 497.064 5.236 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)Cc2cccnc2)ccc1Cl 858721729 YNQYTFQKEGKMQA-UHFFFAOYSA-N 490.412 5.042 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 912831997 ABWIIAAHEJFDIC-UHFFFAOYSA-N 486.645 5.069 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N([C@@H](C)Cc2ccco2)C1=O 914694880 XEZYJOCZVAANSS-KSFYIVLOSA-N 498.004 5.533 30 20 JKED CC(=NNc1cccc(Cl)c1C)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 915050816 DMVYHZRQKXWQTN-QHCPKHFHSA-N 461.953 5.246 30 20 JKED N#C[C@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104371 PFQVEPMJOFDNRN-CQSZACIVSA-N 450.532 6.284 30 20 JKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(OCc3ccccc3C#N)cc2)cs1 915513617 GIWNEGHPNDQECX-UHFFFAOYSA-N 483.549 5.635 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2ccccc2F)n(Cc2ccccc2)c1=S 915796081 VENGITNTZIWCSI-UHFFFAOYSA-N 458.566 5.037 30 20 JKED COc1cc(C(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cc(OC)c1OC 916137854 GWQNXCKVSOODAK-MDZDMXLPSA-N 461.345 5.469 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(C2CCCC2)C1=O 916208019 RFVMNOVGWKRKCB-QFIPXVFZSA-N 451.592 5.215 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 916211938 SEHZYXYSJQZCIV-FQEVSTJZSA-N 485.396 5.549 30 20 JKED Cc1ccc(S(=O)(=O)N(CCC(=O)[C@H](C#N)c2nc3ccccc3s2)c2ccccc2)cc1 916627236 HNNRDDQMEGWNLK-NRFANRHFSA-N 475.595 5.067 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)CC1=O 916845925 WMWNDOCKOVZRAT-TXPKVOOTSA-N 488.613 5.019 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1ccc(Cl)cc1 916885430 WSQCCTFNMDLSHF-KRWDZBQOSA-N 463.868 5.372 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916888239 UGTCPXJDLYLARS-QFIPXVFZSA-N 477.492 5.413 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1 916902072 CTNRJGGRZOZVLF-QGZVFWFLSA-N 486.018 5.675 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1)c1ccccc1 916945785 DKJQGGIAMVETJN-VLIAUNLRSA-N 454.313 5.490 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 917042896 ITLZWDHRCVOVAC-FZMZJTMJSA-N 450.308 5.551 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 917562245 XKWNAOHKUBMMHX-WEVVVXLNSA-N 462.314 5.939 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccc(C#N)cc3)C2=O)cc1 917669103 NUAJWGBPDDHOOA-RUZDIDTESA-N 496.592 5.230 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)cc1 917682993 OTOIMPOPHAQVPA-DEOSSOPVSA-N 472.614 5.476 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 918274493 IQVMRXFWNIVVJR-NDEPHWFRSA-N 481.596 5.474 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc1 918492967 YDAMPNZZHKGMBW-INIZCTEOSA-N 486.380 5.385 30 20 JKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nccn1C 919899853 XELGMSJGRIRWKY-RUZDIDTESA-N 467.529 5.312 30 20 JKED CC(C)[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1nnc(-c2ccccc2)n1 920113574 YCUGJKJSANYBSD-YJBOKZPZSA-N 470.480 5.042 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3coc(-c4ccccc4)n3)n2)cc1 920140522 FOGLGVZTWKLKML-FQEVSTJZSA-N 456.552 5.446 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 920355061 HPDNDKWQIYOIOS-XMMPIXPASA-N 490.629 5.631 30 20 JKED CCOc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1 920357274 WXENDETWLSBEKQ-HSZRJFAPSA-N 477.561 5.385 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)C2(C#N)CCCCC2)cs1 920672969 CZRBBMVIVZWTLP-UHFFFAOYSA-N 452.363 5.652 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)nc3ccccc13)C2 1779510338 FVLCWBSILSZGMN-AJTFRIOCSA-N 484.040 5.008 30 20 JKED CO[C@@H](C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1)c1ccccc1 1785795934 JNMAGOBBTQIIGA-HHHXNRCGSA-N 467.569 5.013 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1)c1ccc(O)cc1 1785803360 QFUDFBSFUVRANI-SFTDATJTSA-N 480.555 5.459 30 20 JKED C/C(=C\c1cccnc1)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786041583 LZCSHILHHUZFDS-HEHNFIMWSA-N 464.569 5.123 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)[S@](=O)c3ccccc3)CCC2)cc1 1786104467 VHIKQIGKHUGNGT-BPJXYHRLSA-N 464.631 5.085 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)n4ccccc34)CCC2)cc1 1786360776 MFCTTWIJIUDHQI-QFIPXVFZSA-N 491.591 5.392 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4scnc4C(F)(F)F)cc3)CCC2)cc1 1787576956 RGZOHSJHZQXWSA-UHFFFAOYSA-N 470.476 5.095 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cccc4cnccc34)CCC2)cc1 1788650742 MFZUQZZMHJKTEY-VAWYXSNFSA-N 481.577 5.483 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789147705 GJCPKADPOAVTKB-QDPGVEIFSA-N 495.664 5.536 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(F)F)cc4Cl)cc3)CCC2)c1 1790061607 IRNFJLQBPGHFSL-UHFFFAOYSA-N 484.890 5.203 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)CSc3c(C)cccc3C)CCC2)cc1 1790512666 RWFJGOZEMNQTPP-UHFFFAOYSA-N 480.630 5.039 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)cc1 1790706994 BCNHRHGCYWNJHJ-UHFFFAOYSA-N 478.474 5.228 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4c(F)c(F)ccc4c3)CCC2)cc1 1791730314 BDZNHBKBEFVTIE-UHFFFAOYSA-N 461.512 5.454 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccc(F)cc4)CCC3)cc2)c1 1792123220 NZURBTFUZDPBEN-FQEVSTJZSA-N 485.559 5.670 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1cccc2ccccc12)c1ccccc1 1794070441 LQNSEWYFHPJAEX-RVUATISTSA-N 480.608 5.054 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(ccc3ncccc32)s1 1799121405 BDQSYCZQGQHVCB-ACDBMABISA-N 459.615 5.470 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(Cc4cccc(F)c4)c2)C3)cc1 1800546669 YPKHCIDMGUKOHN-OUOZDZGXSA-N 481.571 5.048 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2cccc(Cl)c2c1 1801140896 NJAPMTOWDMJUBY-WKCHPHFGSA-N 482.100 5.191 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)c1 1802466354 JBYUIWZQVRLOPM-KOUNCHBCSA-N 489.925 5.033 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@@H](CNC(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1802954037 NEDXBOYSCRIZJX-BKHJTQGXSA-N 494.639 5.032 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1803085707 BZHARXNUMBHYGW-AZGAKELHSA-N 451.655 5.462 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)cc4)CCC2)C3)c1 1803683331 BJOQOTYKTRUEKN-TZAMREQXSA-N 476.020 5.341 30 20 JKED Cc1csc(CCC(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1804527750 RWIDZKTVLCEFHR-KCWPFWIISA-N 495.765 5.141 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1806015201 WDZCHCCJYONTJQ-UHFFFAOYSA-N 485.024 5.428 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1806089614 WMDZCGXXOAWELJ-QPPBQGQZSA-N 474.630 5.088 30 20 JKED Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)C2)s1 1806983975 VRJKPWLABVRMPF-UHFFFAOYSA-N 470.038 5.059 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808490611 VVLVJACNZFLQKP-NBGIEHNGSA-N 496.032 5.234 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC3(CCCN(C(=O)Cc4ccc5ccccc5c4)C3)CC2)c1 1809125389 PWELCGWLRVFDQK-UHFFFAOYSA-N 479.624 5.118 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3scnc3c2)[C@@H]1c1cccnc1 1809947252 FXCHDSACEFZHLS-REWPJTCUSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1810181798 LHFLVSNLNGHSHE-KMQNXVAFSA-N 477.624 5.435 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@H]1c1cccnc1)c1ccccc1 1810443382 HMWKTORJSJMGSO-DPZBCOQUSA-N 486.015 5.252 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c1Cl 1811418505 XTLIXYBBENAJLT-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1)C(F)(F)F 1811723336 WRGFNHTZQXTRMP-GBXCKJPGSA-N 495.501 5.312 30 20 JKED CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1)c1ccccc1 1811739470 KUMVQTGEQJRJMK-MVERNJQCSA-N 487.003 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813973617 XHAMUWHXGMNPMS-YZZKKUAISA-N 490.406 5.616 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[C@H]1c1cccnc1 1814108340 UAJPGRKBDHYRJU-WIRXVTQYSA-N 487.550 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(C)(C)C)nc3)n[nH]2)c1 1814352025 GFHUQVWEPOGNDO-JPYJTQIMSA-N 484.604 5.349 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cn3ccc4c(F)cccc43)n[nH]2)c1 1814832860 HWRBHYBXKLNLRI-BVZFJXPGSA-N 498.562 5.137 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3sccc3F)n[nH]2)cc(C(F)(F)F)c1 1815429868 VBNHYYUGGNOZAD-KRWDZBQOSA-N 491.470 5.120 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[nH]n1 1815656165 JRLIRUZAEQOGEZ-JXFKEZNVSA-N 494.583 5.230 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)c1 1817745454 LJAIHPKGKJOANL-VWLOTQADSA-N 490.567 5.272 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)s1 1818343431 UNGKCWAEQRLLAN-FQEVSTJZSA-N 475.618 5.454 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccccc4o3)n[nH]2)c1 1818633134 UZSBCKCWASZBSD-VGSWGCGISA-N 467.529 5.403 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1819306815 FWZJDAVTVJDKHD-NLRNRLRDSA-N 458.562 5.630 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)[nH]n1 1819552825 DOWSZLASCNFZRF-HXUWFJFHSA-N 491.558 5.441 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3sccc3Cl)n[nH]2)c1 1819958970 LEJJERXXXBIOJV-AUUYWEPGSA-N 467.982 5.371 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821047409 LRHBHZDRXZWPIG-DVECYGJZSA-N 474.561 5.099 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1 1821180191 ZQWJMILYWCYZRP-XMMPIXPASA-N 455.562 5.219 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)[nH]n2)cc1 1821181286 VHHMWZBFAWAOLY-JOCHJYFZSA-N 495.505 5.043 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)n[nH]2)cc1 1821288495 NDBDLSFRICPNMC-IBGZPJMESA-N 486.334 5.347 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(O)c3cc2OC)n[nH]1 1821500035 UGZZQZIHNNVOLV-XXBNENTESA-N 488.588 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2Cl)N(C)C)n[nH]1 1821762794 ANNJFDYDXSRPHJ-OUOWLKGYSA-N 484.044 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](C)Oc2ccccc2)n[nH]1 1821783875 FWEMRTCORYRUGI-KJXAQDMKSA-N 450.583 5.028 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)n[nH]2)C1 1821787456 QJLKLAJHUPYABM-KKSFZXQISA-N 474.527 5.277 30 20 JKED C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1ccccc1 1822043802 ACZZAAGHPRXTFX-VGOFRKELSA-N 475.980 5.434 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1)c1ccc(O)cc1 1822468829 APNJEBVVDGMDCC-TZBSWOFLSA-N 474.605 5.051 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[nH]n2)CCC1 1823380952 VAZVJTGODMDHRP-IBGZPJMESA-N 486.403 5.134 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#Cc2ccc(Cl)cc2)CC1 1823644096 LVDRUHULNZEDDL-JOCHJYFZSA-N 485.049 5.085 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1823987696 WFKPPRFKJDFPJG-SANMLTNESA-N 496.026 5.146 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1824051905 YEFOHIJBPZBNTO-RZIGYZOXSA-N 487.644 5.359 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)CC1 1824421457 LGPPVCDPHQFTPN-FTJBHMTQSA-N 466.666 5.303 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824989426 PTGOEQCTNZAAMU-VWLOTQADSA-N 473.057 5.312 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC)nc2)CC1)c1ccccc1 1825749749 IZAOQMNVSAPOEB-VSGBNLITSA-N 471.645 5.075 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(CC(C)C)oc3ccc(OC)cc13)CC2 1826037297 FXPJBCPYYUPLLB-QGZVFWFLSA-N 493.629 5.126 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)[nH]c2c(Cl)cccc12 1827519084 BBURBQIDXFISKN-NRFANRHFSA-N 467.013 5.057 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827684477 CTGQZNQULKTBSI-CHDQVWAWSA-N 489.641 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)CC1 1827939708 IRVQOLCLKCYYNG-PMACEKPBSA-N 465.560 5.046 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828510235 RMWCKDYFIZHSHX-UZUQRXQVSA-N 475.555 5.632 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828656917 OORJNMODTYXIKH-QHCPKHFHSA-N 469.423 5.412 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1828824938 QNHGDIBYYBCKHU-BJKOFHAPSA-N 489.701 5.020 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 1828829101 AAQHLVLAMQSVIZ-RPWUZVMVSA-N 473.057 5.279 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccnc2Cl)CC1)c1ccccc1 1829029950 IFZVYZIDSRUENC-ISKFKSNPSA-N 496.026 5.305 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829685697 NUGGMEPBWQFCCG-DFBJGRDBSA-N 494.035 5.257 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(F)CCCC=C3F)CC2)c1Cl 1829690757 CVKLJLVRQCPWEM-NLFFAJNJSA-N 475.967 5.191 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765458 BSFCUUILJSLPRA-QFQXNSOFSA-N 495.067 5.732 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3F)CC2)ccc1Br 1829879561 QPEDYFIMKIGTPP-QHCPKHFHSA-N 498.396 5.007 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830015282 BEQXIUVSEXBFIY-VWLOTQADSA-N 475.658 5.201 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1830160416 MCALMEWQIRSLKY-LEAFIULHSA-N 498.614 5.533 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cc3ccc(F)cc3)cc2)CC1 1830457481 FFGXGSZDXMTZCS-MHZLTWQESA-N 460.593 5.063 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1830472572 XGVKTERZDBERBB-VWLOTQADSA-N 499.989 5.356 30 20 JKED Cc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)s1 1830601771 HPQRLHDNGONXSK-MHZLTWQESA-N 497.664 5.398 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830606043 IOWXKKHFIPWTHQ-NDEPHWFRSA-N 491.676 5.310 30 20 JKED CCOc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830722233 GGUBUIIBAWJNFS-XMMPIXPASA-N 480.008 5.157 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1830770115 JSRWKEXVHHAAPE-MQJKTTPVSA-N 485.628 5.212 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806487 VOCDBUMZWGDJKU-NFQMXDRXSA-N 496.598 5.456 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1)C(F)(F)F 1831061559 WEIOEDMFUGSUAT-SFHVURJKSA-N 495.523 5.161 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccnn3C)c(Cl)s2)CC1 1831371013 RZPQIKHHVQVKAV-XLIONFOSSA-N 489.085 5.248 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 1831374927 VUWFEGWSEKIJDJ-OXJNMPFZSA-N 465.407 5.034 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)cc1C#N 1832704854 WSTAYDITDLATML-IRPSRAIASA-N 477.649 5.325 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1836698034 POCXGYQLCUIKJW-UHFFFAOYSA-N 493.475 5.682 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)CC1 1838424032 FQFQFADOOQDWHJ-UHFFFAOYSA-N 482.999 5.223 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(-c3cccs3)n2)n(-c2cccc(F)c2)c1C 16679318 RBZAQAPUFKTRSJ-UHFFFAOYSA-N 494.573 5.014 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nc2scc(-c3ccccc3)c2c1=O 16715371 XBMGIVMMLJFMRG-GOSISDBHSA-N 475.639 6.047 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(Br)cc1 16832678 XSFCUDFMUQOVGS-GFCCVEGCSA-N 479.350 5.291 30 20 JKED COc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc(OC)c1OCc1ccccc1 16968032 VBSUEEZZENNQBP-HAHDFKILSA-N 474.582 5.791 30 20 JKED C=CCn1c(SCC(=O)Nc2cccnc2Cl)nc2sc(-c3ccccc3)c(C)c2c1=O 17131727 JWFQPYUFXZNABB-UHFFFAOYSA-N 483.018 5.399 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 20047872 MZKZNCORYSHXAB-UHFFFAOYSA-N 462.600 5.595 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccc(Cl)cc1 21991779 BTUHIWFBBMOCKI-UHFFFAOYSA-N 481.990 5.260 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)cc1 23413015 VNFLLLKBVSHUPV-IBGZPJMESA-N 457.559 5.263 30 20 JKED COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O[C@H](C)C#N)cc(OC)c1OC 23547119 PLQVSWQZICZCNJ-YAJBTMAUSA-N 458.514 5.206 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1[C@H]1COc2ccccc2O1 32557089 MFSZQEISXNWGEQ-AUUYWEPGSA-N 490.507 5.115 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H](C#N)c4cccc(Cl)c4Cl)c(=O)c23)cc1 78718882 POLGZUFBQHSMAZ-IBGZPJMESA-N 497.407 5.511 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H](C(F)(F)F)C2)nnc1-c1ccc(C(C)(C)C)cc1 195678637 IURUCTZTTXLHAK-SFHVURJKSA-N 466.573 5.322 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 208088286 LRXFOEMJTJUXTF-KTKRTIGZSA-N 456.329 5.399 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 303151013 FZIXGLXHOROHHQ-HSZRJFAPSA-N 471.532 5.076 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3c3ccccc3)cc2F)c1 481385791 QDTPAQFVEKGTMM-ZCYQVOJMSA-N 471.532 5.057 30 20 JKED COc1cccc(CO[C@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 487393795 XAOYJGJKSSXGKV-CQSZACIVSA-N 475.492 5.177 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 488468678 LOMBMCYKZRJKOV-UHFFFAOYSA-N 451.574 5.324 30 20 JKED CC(C)CN(C(=O)CCc1nnc(-c2cc(F)ccc2Br)o1)c1ccc(C#N)cc1 499325205 UIAVGEPMYNNFAM-UHFFFAOYSA-N 471.330 5.132 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccccc1OC 501239926 LZABPBTTWARPML-AWEZNQCLSA-N 453.955 5.696 30 20 JKED Cc1ccc(C)c(-n2c(S[C@H](C)C(=O)N(C)CCC#N)nnc2-c2ccccc2Cl)c1 501584141 WWBYFHKRSYCKDN-QGZVFWFLSA-N 453.999 5.057 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 505163274 BFPROWYIUDOMDK-UHFFFAOYSA-N 456.398 6.237 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N(CCC#N)Cc3ccccn3)cc12 505213139 HWMIQXOMYOSFFH-UHFFFAOYSA-N 484.412 5.712 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 508274656 NPBZJUZETBUUJY-UKILVPOCSA-N 461.493 5.540 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1 509214527 XSNYPXASGBMRRY-RUZDIDTESA-N 461.949 5.590 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1Cl 510012326 YGMXZXQQECWPJW-AOYPEHQESA-N 492.982 5.330 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC 510251480 CBTCASXJISHHKW-UHFFFAOYSA-N 476.389 5.273 30 20 JKED COc1cc([C@@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1OC1CCCC1 511278710 YOXDGPNWDXKLNX-LJQANCHMSA-N 463.578 5.202 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)nnc1-c1ccc(Cl)cc1 511378697 OJWUCDIROHKCEN-FQEVSTJZSA-N 499.036 5.463 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 511838323 NQWCJXNYXSDPPJ-CCLHPLFOSA-N 467.569 5.075 30 20 JKED Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3ccccc3-c3ccccc3C#N)cc2)c1 513110890 VHFNSXPDDRGSJM-UHFFFAOYSA-N 489.575 5.524 30 20 JKED Cc1csc([C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)n1 513686499 AFSAIVYOJKHJRG-KRWDZBQOSA-N 454.349 5.265 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1CC)c1nc(-c2ccccc2)cs1 514483715 DZFLQWVQKFBLKU-UHFFFAOYSA-N 475.643 5.708 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 516070620 VXPYNJARONTRJW-QHCPKHFHSA-N 469.566 5.573 30 20 JKED C[C@@H](Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)c1ccc(C#N)cc1 516372201 WWIGZQURLIJBET-GOSISDBHSA-N 455.587 5.235 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c(C)c1 516737937 UKYJUAWUZICAJI-UHFFFAOYSA-N 481.552 5.027 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 517456208 FDJZFQSLJOPLAW-GOSISDBHSA-N 486.626 5.312 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)c2)cc1 517844024 FYNRKDDZMLAESV-RRPNLBNLSA-N 467.569 5.113 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c2ccccc12 518653962 QCPIRONGWVWOKV-GOSISDBHSA-N 470.623 6.422 30 20 JKED C=CCn1c(SCC(=O)N(C)c2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 518702767 HPYNWAJTVJGAHD-UHFFFAOYSA-N 458.374 5.065 30 20 JKED N#C[C@@H](C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1nc(-c2c(F)cccc2F)cs1 518870707 FRGMCXNFVPPDTP-IBGZPJMESA-N 498.514 5.337 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 519902183 AXDNCSQPLCOCBO-UHFFFAOYSA-N 488.531 5.273 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cn2c1 520929782 IZOLJQQFEAWOFS-UHFFFAOYSA-N 465.538 5.469 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 521024056 JGELKCHWXVZNGJ-UHFFFAOYSA-N 455.583 5.083 30 20 JKED Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n12 521719943 OFFPBXOZPNYAKM-INIZCTEOSA-N 475.643 5.790 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)cc1Cl 522974126 RJCBPDXBUXTMQU-XMMPIXPASA-N 462.018 5.797 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1 557485262 YQTLXWHOWRPLJG-UHFFFAOYSA-N 480.549 5.729 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C2CC2)c1 590720531 YKZDWJULJDSAAY-JOCHJYFZSA-N 478.536 5.101 30 20 JKED C=CCN(C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 596346803 YLVOYUBCSPTQFA-GOSISDBHSA-N 465.517 5.252 30 20 JKED Cn1cnnc1Sc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 602288658 AZUTVICPCYGVMY-CQSZACIVSA-N 496.618 5.211 30 20 JKED COc1ccccc1-c1cc(NC(=O)CSCc2ccc(C#N)cc2)n(-c2ccccc2)n1 603760985 ZOTPCHRWJTYQKV-UHFFFAOYSA-N 454.555 5.291 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 604421669 OKOOTHJILYJWSK-HXUWFJFHSA-N 480.524 5.145 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 608918800 XMLYJUULHGMJOG-RUZDIDTESA-N 455.537 5.409 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)cn2)cc1 608994994 XHHOFIKJKKXNDR-OAQYLSRUSA-N 452.873 5.143 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 609208085 WKIJHLOBGFMYCA-UHFFFAOYSA-N 483.572 5.264 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCc4ccccc4[C@@H]3c3ccccc3)c2)c1 609399196 NOYLQYKTTZWGRI-NDEPHWFRSA-N 472.548 5.990 30 20 JKED COc1cc(-c2nnc(S[C@@H](C#N)Cc3ccccc3)n2C2CCCCC2)cc(OC)c1OC 611012433 RDYUQXMCMXYCBF-OAQYLSRUSA-N 478.618 5.703 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2cc(Cl)ccc2s1 613404039 ZAFHWZYZZHXDME-SFHVURJKSA-N 455.930 5.687 30 20 JKED N#C[C@H](C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 613404168 KBLNXZDYQYKRFY-OAHLLOKOSA-N 460.868 5.703 30 20 JKED COc1ccccc1-c1nc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)cs1 619562152 OXKVZJFIUVNLMG-UHFFFAOYSA-N 482.590 5.682 30 20 JKED O=C(CSc1nnc(-c2ccccc2F)o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 649209632 AJOCEWXSDLFVHC-UHFFFAOYSA-N 465.350 5.644 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)c1cn(CCC#N)c3ccccc13)CC2 673782015 IEVTZFIHLRKZFG-MUUNZHRXSA-N 485.609 5.464 30 20 JKED C=CCn1c(-c2ccco2)nn(CN(C)CCCc2cc(-c3ccc(F)cc3)no2)c1=S 725787895 VXIFKJGBHBWBRP-UHFFFAOYSA-N 453.543 5.176 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccc(C)cc2)cn1 726118564 OBDOZPZIPNLPDU-NRFANRHFSA-N 482.009 5.025 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1Cl 726407900 BGSUAIJUHNTDSR-FQEVSTJZSA-N 470.957 5.254 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)c1 726413940 WQIDOJLIEYPCHX-HSZRJFAPSA-N 489.000 5.185 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2ccccc2)C1=O 726422078 RZURAYVUQHXLFD-SHZNUGFISA-N 479.627 5.347 30 20 JKED COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)cc1NC(C)=O 726430390 YOKMATGNYYOWQV-ZRDIBKRKSA-N 457.555 5.523 30 20 JKED CCOC(=O)Nc1nc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2s1 726505347 ZDBHRPZXLIYLNX-UHFFFAOYSA-N 462.487 5.161 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 726573008 VCVLDSYIWZFCBQ-UHFFFAOYSA-O 478.641 5.825 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(C)C)cc1Cl 726892337 SXHKMKBKIGKBEF-LJQANCHMSA-N 463.962 5.104 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3c2ccn3C)c1 726956929 QDBTZNWEINSLTI-UHFFFAOYSA-N 479.989 5.465 30 20 JKED O=C1/C(=C\c2cnc(-c3ccccc3)nc2)CN(CC2CC2)C/C1=C/c1cnc(-c2ccccc2)nc1 727266773 FMNKYLBZVDTJCU-JEGUCOMDSA-N 485.591 5.362 30 20 JKED CC(C)(C)C1C/C(=C/c2nccn2CC(F)(F)F)C(=O)/C(=C\c2nccn2CC(F)(F)F)C1 727745050 PJYHLOZBYIJMDG-HYQBVQLESA-N 474.449 5.696 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)o2)cc1 727991216 HUAREMACVYYGDT-MRXNPFEDSA-N 473.381 6.268 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)CCc2ccccc2OC)ccc1Cl 729406361 SXHHXRWOALJSCB-UHFFFAOYSA-N 499.032 5.045 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 729558392 BYGHCZHBBUGWMO-JOCHJYFZSA-N 478.593 5.100 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ncccc2C)c1 729634576 OMPZOZKCFHDEKO-XMMPIXPASA-N 488.613 5.122 30 20 JKED C=CCN(C(=O)COC(=O)c1cnc(C2CC2)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 729771735 LAQSSPVSWNPVEF-UHFFFAOYSA-N 494.425 5.827 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2C2CCC2)cc1 730463473 XXCNXBWRLSXDJZ-QHCPKHFHSA-N 480.634 5.053 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(OC)c3)C(=O)N2Cc2ccco2)c1 730531655 UXEXGFPMASJZEL-HSZRJFAPSA-N 493.585 5.020 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1C 730942430 PIKCTWCBQTUDMK-SBUREZEXSA-N 494.567 5.698 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 730943795 KSQZKIFNQYKULA-BTYIYWSLSA-N 466.513 5.081 30 20 JKED Cc1ccc2c(c1C)OC[C@H]2N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731305291 BOZQASCSLYMIMM-PKTZIBPZSA-N 487.581 5.103 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1ccco1 731308755 NJZXHBWHDLXJIB-HXOBKFHXSA-N 477.586 5.139 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(CCc2cccs2)C1=O 743524601 LFTNTHXMCYMRAB-JOCHJYFZSA-N 497.617 5.407 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cccc(C)n3)C2=O)cc1 743525361 PTNJGFIUIRCNTG-HSZRJFAPSA-N 476.577 5.306 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)Cc1nnc(O)c2ccccc12 745867739 KJWGKXOIELQWLS-HSZRJFAPSA-N 499.552 5.099 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c1 747600387 AQZURIGWPFMDNI-OAQYLSRUSA-N 496.633 5.609 30 20 JKED N#C[C@@H](C(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1nc(-c2ccccc2)cs1 807679760 JIMIVXSUODHZSG-SFHVURJKSA-N 484.631 6.450 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 818049508 VCDGSBLHSTWIQD-UHFFFAOYSA-N 453.523 5.220 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 836613682 XTBYABKEFGCJMM-INIZCTEOSA-N 487.585 5.413 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N([C@@H](C)c2ccccn2)C1=O 837299456 ISKMQRMCXIOJQP-FDDCHVKYSA-N 474.586 5.120 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 837371347 XELKXMNLELWGIU-HOYKHHGWSA-N 490.604 6.066 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)cc1OC 837753435 HOCQZVGUTBROHC-NRFANRHFSA-N 499.589 5.065 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1 838039484 DTRYRSFQVWUJRI-FQEVSTJZSA-N 469.563 5.056 30 20 JKED N#CCSc1ccccc1C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 843399876 VFPYPXVVWXSWBO-UHFFFAOYSA-N 466.990 5.169 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 857665584 JCJUEAGZGCDXIG-OAHLLOKOSA-N 491.400 5.691 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 912828447 OMKDNTIYLOHSNR-UHFFFAOYSA-N 469.614 6.010 30 20 JKED C=CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1c(Cl)cccc1Cl 914869002 TYRNCPBLEPQNQM-UHFFFAOYSA-N 461.176 5.365 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915085398 LKMSAQXSUNANBH-RPWUZVMVSA-N 473.960 5.247 30 20 JKED CCOc1ccccc1C(=O)NCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915102008 PQGAAPKAVJCMAU-IBGZPJMESA-N 467.978 5.249 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 915351900 DCMVQMSDSYOQOL-AREMUKBSSA-N 452.558 5.031 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1C#N 915383872 SLWHXIWUBPASIM-IBGZPJMESA-N 477.508 5.391 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 915523900 UKKVGHMUOVBICT-GOSISDBHSA-N 499.398 5.217 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3cn(CCC#N)nc3-c3ccccc3)cc2)cc1 916141487 CLXBEEGVFLSBQH-ATVHPVEESA-N 496.592 5.469 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1C 916205499 JQDMHNITUZLYOZ-SFHVURJKSA-N 481.927 5.814 30 20 JKED COc1cc(C(=O)Nc2cccc(OCC#N)c2)ccc1OCc1ccc(Br)s1 916411120 PVZLNBMWKKZERD-UHFFFAOYSA-N 473.348 5.253 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C 916564636 PAVFGPKAYYZWQE-UHFFFAOYSA-N 450.988 5.232 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1 916911257 VDRNUFSOTAZJLU-NRFANRHFSA-N 471.944 5.777 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cccc2ccccc12 916915721 OCDZSBGWNATRJU-RSXGOPAZSA-N 461.521 5.049 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 916924496 ZIUCPAXZLMUWKP-NRFANRHFSA-N 466.497 5.072 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 916950879 WIBUIUCUAQCFMT-SBUREZEXSA-N 471.532 5.861 30 20 JKED COc1ccc2[nH]cc(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c2c1 916995810 ITNDKIVATMIXDL-KRWDZBQOSA-N 456.354 6.026 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(Br)c2)cs1 917558290 RCYMAOKTIJJPFG-YFHOEESVSA-N 461.768 6.140 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C(C)(C)C)CC1 917665306 WAPQYTZDDUJKGL-QHCPKHFHSA-N 478.662 5.218 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C(C)(C)C)CC2)cc1 917681758 BNMDQNGDZFTQKO-QHCPKHFHSA-N 496.652 5.357 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1Cl 917702231 DCZDMPZFSTZXEP-JOCHJYFZSA-N 492.963 5.511 30 20 JKED O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918672771 UOTNTNUGNJDQMT-IYODYBDTSA-N 453.732 5.961 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 919825425 IEOKAIHRECTSRD-KNTRCKAVSA-N 487.581 5.002 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(Oc3cc(C)ccc3C)CC2)c1=S 919951730 UTUBSORWNQIGHW-UHFFFAOYSA-N 464.635 5.393 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccccc1OCC#N 919987445 GRYMOHQSCZCSAF-QHCPKHFHSA-N 472.526 5.424 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 920112080 VOOUDYDCOBSDSY-OXQOHEQNSA-N 494.389 5.898 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCc3c(Cl)cccc32)cc1 920171229 TUAGBULTMCKDQK-YADHBBJMSA-N 484.021 5.026 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 920463601 ZFUPGHNMZPPOPF-UHFFFAOYSA-N 497.507 5.252 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3c(NC(=O)c4cccnc4)sc4c3CCCC4)cn2)cc1 920474884 TTWNMSQGARGIRM-UHFFFAOYSA-N 495.564 5.585 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)cs1 920480488 GEZOUVJUBBUANS-GHXNOFRVSA-N 460.477 5.973 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(SC(F)(F)F)cc1 920834808 XKIKQMDAFNGOEA-UHFFFAOYSA-N 465.478 5.467 30 20 JKED COc1ccc(-c2cnc(COC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)o2)cc1 920893612 XWZKAKWRLGQBAY-UHFFFAOYSA-N 456.502 5.101 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Oc1ccc(-c2nc3ccccc3s2)cc1Cl 921241482 BVQXMWAQEURSMB-UHFFFAOYSA-N 463.946 5.744 30 20 JKED CCOc1cc(/C=C2\Cc3c(Cl)cccc3C2=O)ccc1OCCn1c([N+](=O)[O-])cnc1C 921263322 BMJSFGYNJLPUKS-GZTJUZNOSA-N 467.909 5.053 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CCO2)C1 1778881498 DTPQQROFZCMIKN-DLLPINGYSA-N 495.623 5.114 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)[C@@H](C4CCOCC4)CN5)CCC3)cc2)C1 1785807380 LQKGKKLOBCWROT-AREMUKBSSA-N 485.628 5.336 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)CCCC5=O)CCC3)cc2)cc1 1785881775 MOMZVCFOMGJLRA-UHFFFAOYSA-N 477.564 5.068 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786370843 FXXCWAPKQBPGQS-XXKTVHSTSA-N 473.617 5.090 30 20 JKED Cc1cc(Br)c(N)cc1C(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1 1786390693 AFZFJBNABPQUTI-HXUWFJFHSA-N 490.467 5.042 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cccs3)CCC2)cc1 1786545126 SEKKDMWAVGWLKC-JOCHJYFZSA-N 497.661 5.284 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C(F)(F)F)cn3)cc2)CCC1 1788389420 SLZYMYXYAMDMRF-SFHVURJKSA-N 458.484 5.012 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nccc5[nH]ccc45)cc3)CCC2)c1 1788466585 FIISDATYAMQMNQ-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982651 DFBIPPKWFLXHTP-UHFFFAOYSA-N 465.981 5.552 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nccnc5c4)cc3)CCC2)c(Cl)c1 1789066042 WBBGDOXBYDFIDO-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(Cl)cccc4n3)CCC2)cc1 1789454442 YPAAQDXLESJXJF-FQEVSTJZSA-N 462.981 5.504 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)s4)cc3)CCC2)c1 1789863069 ABDITLOKGCGYNK-UHFFFAOYSA-N 450.951 5.038 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3cccc(F)c3)cc2)CCC1 1790471773 QUKRMLFLLCMABO-QHCPKHFHSA-N 495.595 5.492 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790521069 VFQAMSWULPJBKG-UHFFFAOYSA-N 499.464 5.608 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccc(F)cn45)cc3)CCC2)c1Cl 1790959177 ARFKITKEJJKPOP-UHFFFAOYSA-N 487.922 5.060 30 20 JKED COc1ncc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1C 1792122331 KDPKOYANGVVINV-LJQANCHMSA-N 468.557 5.087 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ccccc3c2Cl)c1 1797459923 CNANBOZFGUNJHS-ACDBMABISA-N 478.017 5.311 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 1798206887 MZICNMDHLYIFDF-XMTFNYHQSA-N 494.945 5.027 30 20 JKED C[C@H](Sc1cccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800740661 DRNTWZSDQJAHDD-YFYLHZKVSA-N 493.576 5.071 30 20 JKED CCCCCc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)cc1 1802996065 UBJDGWSVCVRQFI-GRJGCSRKSA-N 484.644 5.227 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1803094034 ZOGKCHYNEXWBBL-VMPREFPWSA-N 479.624 5.837 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1F 1803503309 TUFHSGHWTXOWSM-VFXRXZKFSA-N 498.602 5.109 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(Br)s2)C3)c1 1803682924 SUTMYOSYHFYBLV-DGFADGJKSA-N 498.446 5.103 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)C1 1804866047 LFHMFWURPUNPGO-JOCHJYFZSA-N 491.717 5.149 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC2(CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)C1 1805111286 HVCVTILBYOSLOP-UHFFFAOYSA-N 456.678 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4C[C@@H]4c4ccc(F)cc4)C3)CC2)c1 1805302460 KLYAKCNYVJOIQQ-VANUSSGQSA-N 473.592 5.101 30 20 JKED C[C@H](C(=O)N1CCC2(CCCN(C(=O)CCc3cccc(C#N)c3)C2)CC1)c1ccc(Cl)cc1 1805323548 GLNTXEZWWWBRAQ-NRFANRHFSA-N 478.036 5.179 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cnn(C(C)(C)C)c3Cl)C2)CC1 1807681729 NFSBRJLIQAHYAS-UHFFFAOYSA-N 463.066 5.129 30 20 JKED CC(C)(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)s1 1808802391 LMNSRNBGKZOLRK-DVECYGJZSA-N 490.604 5.085 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cc(F)cc(F)c3)C2)CC1 1810384821 NMCWENPKMGTWAY-LJQANCHMSA-N 467.560 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nscc23)[C@H]1c1cccnc1 1810503145 OJIDIKBHYKRIRF-XXBNENTESA-N 462.619 5.003 30 20 JKED Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c1Cl 1811752698 SASVNBDVPQWTSO-CYFREDJKSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@@H]1c1cccnc1 1813014282 RYIHGQDNYHNIFI-NOXFTYBFSA-N 485.550 5.050 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)s1 1813369803 AVLFIRUNSAYZNW-ZPLGLSCPSA-N 491.016 5.010 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1813941860 YYFGEFLAUJYFRI-HTAPYJJXSA-N 475.967 5.325 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)[nH]n1 1814443104 MCKBYWFLWNRCGJ-VGOFRKELSA-N 454.537 5.312 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2)[nH]n1 1814828382 JGKZKTCRFUSCTG-HXUWFJFHSA-N 458.509 5.085 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)n[nH]1 1816178985 OGCSTLPQBDSYSP-GOSISDBHSA-N 493.942 5.134 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)cc(C(F)(F)F)c1 1817495784 MIASCSJTQGJKAU-ROUKRRSUSA-N 499.518 5.381 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817947634 IQITZQAFHDYWPE-IFXJQAMLSA-N 453.974 5.371 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)Cc2ccco2)[nH]n1)c1ccccc1 1819521475 UOVGDBVDNYVJMJ-GRYUFTJMSA-N 472.589 5.071 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4occc4n3-c3ccccc3)n[nH]2)C1 1820088665 ZKOPLTFDNXNZCM-OAQYLSRUSA-N 469.545 5.219 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c[nH]c4nccc-4c3n2C)n[nH]1 1820131471 UIBOKFDXEWIBGK-HXUWFJFHSA-N 487.608 5.028 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1820977775 YCKRXIYFGSJKJI-SCLBCKFNSA-N 499.921 5.189 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c1 1821038685 JOXNLYHYXKDIMP-QFIPXVFZSA-N 479.943 5.013 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)[nH]n2)c1 1821273903 UIFZHNLNYCKGLB-RUZDIDTESA-N 494.530 5.102 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c(Cl)c1 1821280636 WPADKQZDPUQUMN-HSZRJFAPSA-N 473.964 5.432 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1823685740 FXMPVQLQQCKUDC-MHZLTWQESA-N 489.685 5.075 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2Br)CC1 1823754161 YWEQRSIWNVJHBH-HXUWFJFHSA-N 476.459 5.070 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1823813364 XUALVFLKMPRTNV-LJAQVGFWSA-N 492.623 5.096 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1824142006 CIOBIMCCAQNURX-RUZDIDTESA-N 469.576 5.448 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(OC)ccc3o2)CC1 1824142452 QQMCFZDHNPHVKD-DEOSSOPVSA-N 464.606 5.443 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)c1 1824236519 OKIGDVPRLLJRQQ-DXBVXKBHSA-N 491.582 5.182 30 20 JKED O=C(c1cc2scc(-c3ccccc3)c2[nH]1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824411603 VIXZKIHGBCDCEJ-VWLOTQADSA-N 485.653 5.543 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1824448925 OSKHVTAUUMWOSS-XDZXDJIYSA-N 464.650 5.187 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824837126 IACAOGFWFPBHEG-OTOIZHKDSA-N 460.540 5.142 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1824960232 FQZICSQOYCXZMY-ILBGXUMGSA-N 477.114 5.619 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1825221718 WOVTZCSXOJEMPJ-DEOSSOPVSA-N 491.598 5.421 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1828778870 JITJXJUVJTYABS-SKPFHBQLSA-N 495.714 5.789 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1828825626 ZDJAVDVIDPDOLX-RCZVLFRGSA-N 481.040 5.285 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)cc2c1 1828904923 FJTWQPSDELRMPI-HHHXNRCGSA-N 491.752 5.761 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnn(Cc3ccccc3)c2)CC1 1829301907 WRCSOTYBEOWMRB-AREMUKBSSA-N 476.665 5.157 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829410288 JGQYAJTUYDQZIG-KRWDZBQOSA-N 493.904 5.199 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622156 ALUBIQHHKQVNMO-MHZLTWQESA-N 481.640 5.643 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1829633662 YGUWHTFHIFVNCQ-OAQYLSRUSA-N 493.570 5.111 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cnccc4c3)CC2)c1Cl 1829690206 QERFUNRMANYQLL-RUZDIDTESA-N 487.003 5.307 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cccc2Cl)CC1)c1cccs1 1829897793 HLPQEAOJSXZDQV-SQUSKLHYSA-N 489.012 5.213 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)sc2c1 1829955417 RRSFCVJPPILLLF-HSZRJFAPSA-N 472.614 5.024 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)c1 1829955891 WDUHQMQLJRVPPL-XMMPIXPASA-N 484.625 5.229 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1829994154 MBVVGTPLJUSZSN-XMMPIXPASA-N 483.534 5.053 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)c1 1830767839 QTNIOJHEDNPXSP-AREMUKBSSA-N 496.611 5.377 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1830770763 JILXDMAAMDGPBH-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1831849514 ZJZQKNLOPDLYPG-RUZDIDTESA-N 479.571 5.064 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1832029171 VWAXHLOSVHQHGN-HSZRJFAPSA-N 462.556 5.061 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832714742 KJZNVHDIAVUWOX-BTYIYWSLSA-N 486.415 5.167 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832727851 ZHYYUOYXIDRGCY-AREMUKBSSA-N 491.607 5.340 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CCC1 1832786544 YGKGETCUZDLPNT-SANMLTNESA-N 494.639 5.533 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1832826384 NWMUULIPBLWFOX-DEOSSOPVSA-N 481.434 5.249 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c2ccccc12 1832998173 HKJARTSFDOUWAM-MUUNZHRXSA-N 482.628 5.214 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc4c3oc3ccccc34)C2)cc1C#N 1845736949 ATYHGHDMJWLXLT-UHFFFAOYSA-N 493.563 5.376 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(C)(C)C)cc1 10118224 WIEIWRPQHYEAJU-UHFFFAOYSA-O 455.550 5.609 30 20 JKED CCc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2CC(C)C)cc1 10301063 NEUWZWJXBQXFGK-GOSISDBHSA-N 463.607 5.066 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1C#N 10711639 INRLEPFNKWAXBI-KRWDZBQOSA-N 471.582 5.004 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(C)c2)c1C 10762084 IMYCWRASBKBREA-UHFFFAOYSA-O 488.992 5.248 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 11128838 HFBYMFMVRSQPSC-UHFFFAOYSA-O 460.545 5.562 30 20 JKED CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2scc(-c3cccs3)c2c1=O 11150479 OGAVKIOHZBJEEQ-CYBMUJFWSA-N 466.613 5.197 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(CC)cccc2CC)c1 15960869 LHJCDKLHZIGIOR-UHFFFAOYSA-N 483.033 6.098 30 20 JKED COc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)ccc1OCC#N 21841710 DZWAKZHIUYGNOM-GDNBJRDFSA-N 461.330 5.092 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2)c1cc(F)ccc1F 22727147 XQXDPNCYFMMNRR-UHFFFAOYSA-O 459.488 5.460 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1ccc(C)c(F)c1 22732103 ZHMSZSLEJPGCPV-UHFFFAOYSA-O 472.403 5.797 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc(Cl)nc2)c1 23372231 BBHCRHKISCKNFW-UHFFFAOYSA-N 477.369 5.127 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)nnc1-c1ccc(F)cc1 24014999 QETSSPSLXMCXNG-OAHLLOKOSA-N 467.595 5.019 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 26674611 XNQRNBBBLLCAJL-UHFFFAOYSA-N 467.978 5.113 30 20 JKED Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 27444865 ZELDTVKKILJUPU-SFHVURJKSA-N 496.017 5.140 30 20 JKED C[C@@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2C1 31080912 ZAMUFYHCNZGLFO-FCKILEINSA-N 489.579 5.180 30 20 JKED N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 40162364 VQTGVHQCODRNET-KRWDZBQOSA-N 457.580 5.181 30 20 JKED CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc1OC 59324383 QXOYEVZAGFECGT-BJMVGYQFSA-N 471.351 5.065 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)n(C2CCCC2)c1C 103314056 RNECZHWTXHYVSO-UHFFFAOYSA-N 499.644 5.897 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 107876724 DJSSLNVXJHBVLP-UHFFFAOYSA-N 486.666 5.543 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)n(Cc2ccco2)c1C 302598935 JZMBSPIYXWMHFR-MRXNPFEDSA-N 475.574 5.078 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc(Br)cc1 302964304 HBUDDQACGFEZST-CQSZACIVSA-N 488.407 5.274 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 303084032 APAPXBUBOFYSQB-UHFFFAOYSA-N 485.531 5.824 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)c2cccnc2)cc1OCC 488455026 AALHMDVMGBEECU-QHCPKHFHSA-N 453.380 5.687 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1Cl 491568932 JYKVEPSYOAYDIK-BKMJKUGQSA-N 473.020 5.682 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1 498619178 PBDNRIUKNPXLRN-UHFFFAOYSA-N 472.438 5.807 30 20 JKED CCOC(=O)Cn1ccc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc21 500103791 VEGQJRUHEVKZJO-UHFFFAOYSA-N 469.566 5.621 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 501831434 ZNTUORVJKJFPDU-UHFFFAOYSA-N 490.368 5.510 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)c2)cc1 507733668 SUZMGWFQTLSADF-HHHXNRCGSA-N 455.558 5.545 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1Cl 510024492 TXAFJBJOCDPRHR-OFNKIYASSA-N 466.006 6.270 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 510668123 QZNQJBHRGCTQDX-UHFFFAOYSA-N 494.473 5.359 30 20 JKED COc1ccc(-n2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)n2)cc1 512485359 SQLGOGAJQNZTEY-QGZVFWFLSA-N 469.353 5.801 30 20 JKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C(F)(F)F)c1 513989468 LIWFKCIFHLFTON-UHFFFAOYSA-N 457.427 5.959 30 20 JKED Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 515119862 QHCRQRIFHWEHKC-UHFFFAOYSA-N 470.621 5.090 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)s2)cc1 515797117 FZZZXFQOHXBFAJ-IBGZPJMESA-N 453.568 5.080 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)c1 516263866 IHVKUSGLSIFOPJ-UHFFFAOYSA-N 491.385 5.335 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 517795713 MEVUTSOQDQYJOB-FQEVSTJZSA-N 489.984 5.998 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 518141365 QRXNFCMSDHVHKZ-KRWDZBQOSA-N 465.600 5.300 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 518150880 HXXWLKRKMUKXLV-BAJOOJPFSA-N 482.049 6.004 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1)c1ccccc1 519502579 BEOMVOLVKNIFQV-UHFFFAOYSA-N 460.965 5.618 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 521799658 DKMKDYUIEZBWNZ-QGZVFWFLSA-N 457.555 5.249 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)cc2)cs1 522165238 USHQNBHJKAPDHA-SFHVURJKSA-N 482.613 5.131 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1 523132752 FGUPFAUDEOKNMF-QHCPKHFHSA-N 455.455 6.103 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccccc1Sc1ccccc1C#N 523842782 PKYWEXZTBLNJPJ-HXUWFJFHSA-N 484.625 5.457 30 20 JKED COCCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 524434123 BXKBZVNCGXZSPM-CYBMUJFWSA-N 457.399 5.420 30 20 JKED N#C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1cccc(Cl)c1Cl 524572800 UZTUKALDIRROHP-HNNXBMFYSA-N 493.144 5.596 30 20 JKED C[C@@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4ncccc4C#N)CC3)c2C1 560919931 ORYOTQXCOVKLLJ-FCKILEINSA-N 489.579 5.180 30 20 JKED CC(=O)N(c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1)c1c(C)cc(C)cc1Cl 585688243 ASZOHVKGOZHKJV-UHFFFAOYSA-N 483.062 6.536 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(Cl)cc1 589942334 JLZFGXSIZXIYDG-UHFFFAOYSA-N 470.023 5.327 30 20 JKED CCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1cccc(C)c1 597874445 NAOBUOCAOZTHOH-IBGZPJMESA-N 463.607 5.100 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 603435052 QPDDHXSBTMGWKC-HSZRJFAPSA-N 474.008 5.429 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCc2ccc(COc3ccccc3)cc2)n1 603642227 DXYVQQLDOKOADT-UHFFFAOYSA-N 471.504 5.268 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl 603673448 ZGBRRZWLCYGUMM-NRFANRHFSA-N 477.351 6.270 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)n2)cc1 603739138 VMLFFRCFWMYNSH-UHFFFAOYSA-N 469.501 5.074 30 20 JKED CCOc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1OC 603794045 HBGFCLLFRSJMQW-DEOSSOPVSA-N 482.584 5.420 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2)cc1 603814300 CZJFYQMTTMMLEW-UHFFFAOYSA-N 494.517 5.601 30 20 JKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nc2ccccc2n1C(F)F 603846246 HRYNSFNXEYYOOV-QGZVFWFLSA-N 464.453 5.981 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1 603947989 POTXDTDDAFYXNG-UHFFFAOYSA-N 466.485 5.853 30 20 JKED CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccccc2)cc1 604464598 LLPFXQBKZYUSLW-MUUNZHRXSA-N 491.547 5.594 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 604562216 SZZVIMPEAGNKSY-GOSISDBHSA-N 478.499 5.285 30 20 JKED CN(C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)c1ccc(C#N)cc1F 608798745 GBZHJYMBOBWKEA-UHFFFAOYSA-N 499.567 5.369 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N(Cc2cccc(Br)c2)C2CC2)c1 608803616 ZQWWRCNHKLJWFC-UHFFFAOYSA-N 451.320 5.298 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 608938356 JJKXZMKPRRHCFE-UHFFFAOYSA-N 484.600 5.752 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)cc2Cl)c1 609062770 ZAALEJRGKJRUDJ-UHFFFAOYSA-N 498.852 5.037 30 20 JKED COc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1OCc1ccc2ccccc2n1 609069451 KZGWQOGGCKEBNR-UHFFFAOYSA-N 479.945 5.148 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3ccc(Cl)cc3Cl)cc2Cl)c1 609083938 NNGXPFSGWPCGFY-UHFFFAOYSA-N 488.758 5.352 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Cl 609164641 SXSDRJNTJXWJDX-OAQYLSRUSA-N 485.392 5.594 30 20 JKED N#CCCSc1ccccc1NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 609375839 BBMRVVYGXXOAFY-UHFFFAOYSA-N 481.419 5.772 30 20 JKED C[C@H](Nc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-])c1ccccn1 609414973 ZZBXLGUVIDNRJL-GAJHUEQPSA-N 457.534 5.455 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 609429530 JLEVXQDZUMMTFQ-UHFFFAOYSA-N 478.468 5.288 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)CCCc2cc(-c3ccccc3)no2)c1=S 725781227 YODIZRSEIPXIIR-UHFFFAOYSA-N 463.582 5.583 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(C2CC2)C1=O 726414413 AWCKCWZKAUNQAL-OAQYLSRUSA-N 488.009 5.259 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCc3nccs3)C2=O)cc1 726420443 LSBMVYYLKYAUBH-QNDQBVDNSA-N 484.672 5.146 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCc1ccccn1)c1cccs1 726422393 VXEWSWMDUABAAV-REPWKBTJSA-N 499.061 5.429 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCCC2)cn1 726888018 AHKDTIFVZOHZTN-QGZVFWFLSA-N 493.416 5.300 30 20 JKED Cc1ccc(Cn2cc(C(=O)NCc3ccc(OCC#N)cc3)c(-c3ccc(C)cc3)n2)cc1 727678650 UPAQTMDDNGGXDY-UHFFFAOYSA-N 450.542 5.048 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sccc1NC(=O)c1ccncc1 728028383 HEOKJMVCZBRUPQ-UHFFFAOYSA-N 468.538 5.407 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1Br 728063023 ZXXBSIUYRDZFEK-OAHLLOKOSA-N 484.781 5.992 30 20 JKED CSc1nnc(CCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)n1C1CCCC1 728116825 SUKJUBKLDWNTBE-HSZRJFAPSA-N 474.634 5.525 30 20 JKED COC1CCN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2C(F)(F)F)CC1 728125157 HGUNFTMKVUWSRA-UHFFFAOYSA-N 488.554 5.882 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cs1 728372078 ISPVGIUJGKKSSZ-UHFFFAOYSA-N 498.608 6.081 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCCCC#N)C1=O 728777759 NVHXEFZYHCHLAD-HXUWFJFHSA-N 470.982 5.003 30 20 JKED CN(C[C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1)C(=O)OC(C)(C)C 729557563 UAPDPAFWUHXUAG-XMSQKQJNSA-N 483.012 5.716 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3SC[C@@H]3CC3(Cl)Cl)CC2)c1 729559977 QQMZKICORRUNGN-KRWDZBQOSA-N 476.429 5.919 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1ccc(SC(F)F)cc1 730488345 KVZBROMIPPZQOK-LJQANCHMSA-N 487.553 5.755 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)no2)cc1C 730858550 DMZSYTIJEKXISS-UHFFFAOYSA-N 471.435 5.081 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(OCc4occc4C(=O)O)cc3)cc2c1C 730948281 BGIHDGGUQCYXGH-VMPITWQZSA-N 477.494 5.158 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731075484 CCMUQYQRQZTDOU-LBPRGKRZSA-N 492.047 5.881 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304065 HESWYMSACLEUKT-RUZDIDTESA-N 496.592 5.409 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CC2(c3ccccc3)CC2)C1=O)Nc1cccc(O)c1 731307089 PJJPMHQSTJGQLO-QHCPKHFHSA-N 471.582 5.084 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1F 746695740 HPFQVGMTCCULGQ-QHCPKHFHSA-N 490.535 5.607 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c1 747603651 SWHXJZRZMWPXRO-OAQYLSRUSA-N 482.606 5.566 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCCOc1ccccc1Cl 748583101 BGDKKMQLGRKBMO-SDQBBNPISA-N 493.943 5.659 30 20 JKED Cc1nn(-c2ccccc2)c(COC(=O)COc2ccc(C3SCCCS3)cc2)c1C#N 749942744 JAWJFVLQAWINAS-UHFFFAOYSA-N 465.600 5.043 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O)Nc1ccccc1 799211060 ZNYQZYUIYYVXCV-LJQANCHMSA-N 457.477 5.362 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccccc3Br)s2)cc1 818253844 YWEREHGPDHKFQR-UHFFFAOYSA-N 486.376 5.515 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N([C@@H](C)c2ccccn2)C1=O 837285267 MFMQURLONFZQSX-WMZHIEFXSA-N 488.613 5.429 30 20 JKED Cc1cccnc1C(F)(F)C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 857488225 RNOFMKAUJNHWRR-HNNXBMFYSA-N 468.344 5.120 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1OC 863850544 UNYQVAHTZQIGHB-LCYFTJDESA-N 462.525 5.036 30 20 JKED Cc1nc(C)c2c(C)c(C=Nn3c(C)nc4scc(-c5ccc(Cl)cc5)c4c3=O)sc2n1 874044414 CYCQLBGJOGRQGY-UHFFFAOYSA-N 480.018 5.899 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)Cc1cccc(C#N)c1 914875707 RLQAAYRYMUCHLQ-UHFFFAOYSA-N 486.549 5.190 30 20 JKED C[C@@H](OC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)Nc1ccccc1C#N 915031527 IBWXUPLRCPRMBK-CQSZACIVSA-N 482.323 5.301 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 915353231 RTEQTPKHGKNNIG-SANMLTNESA-N 452.558 5.290 30 20 JKED COc1ccc(/C=C/C(=O)c2ccc(Br)cc2Br)c(OC)c1OC 916140364 PBRGIBCMFNEFGJ-XBXARRHUSA-N 456.130 5.134 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc2ccccc2c1 916209392 KNOXTMGYLFANBP-XZOQPEGZSA-N 477.561 5.118 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)c1 916209526 MJRSESZFAPYQBX-OAQYLSRUSA-N 467.978 5.710 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C[C@H]1CCCO1 916214746 ADKMGNITMOZKEV-BEFAXECRSA-N 492.428 5.441 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2Cc2ccco2)cc1 916215560 XMUYRBIOTGDXBU-QHCPKHFHSA-N 493.585 5.020 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(C3CC3)C2=O)cc1 916217249 IXCKKDFZVUOXAR-QHCPKHFHSA-N 457.555 5.165 30 20 JKED O=[N+]([O-])c1ccc(NN=CCCc2ccccc2)c(S(=O)(=O)Nc2ccccc2Cl)c1 916257926 GSUAXIVTJADDOZ-UHFFFAOYSA-N 458.927 5.080 30 20 JKED N#C[C@H](C(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916628076 LEIDADMCGIZAJY-JOCHJYFZSA-N 472.953 5.950 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 916695134 XZKVFUBPUAXUAL-RUPJRZHISA-N 483.421 5.031 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 916897879 UYNLKZJKNBQNOT-NRFANRHFSA-N 466.324 5.515 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916906637 IIUOYWIWECCULV-HSZRJFAPSA-N 467.544 5.915 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1 916916333 XFXRDLHPYQZIMG-QHCPKHFHSA-N 463.628 6.048 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 916925374 JNCLEQLZHVYWQC-DEOSSOPVSA-N 470.569 5.923 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 916956236 YXIMRCSRJSUYHR-DYESRHJHSA-N 469.545 5.747 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)n2)cc1 916974031 DRNZPGYPJKROKX-GHTZIAJQSA-N 484.408 5.906 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc(-c2ccc(Cl)cc2)cs1 916976921 WXRLQJNSYDCQLJ-NRFANRHFSA-N 484.968 6.180 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 916977267 OQXPBNLTWVRCRH-QGZVFWFLSA-N 482.974 5.491 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C=Nn1c(SCC(=O)O)nnc1-c1ccoc1C 917031976 DLOVPSVKAWUXOQ-UHFFFAOYSA-N 498.568 5.067 30 20 JKED CSc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)cc1 917043235 JBAXKDOULVYDBG-LRDDRELGSA-N 475.517 5.266 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2)cs1 917427744 IXXIQTQQRUYRBQ-FUHWJXTLSA-N 482.968 5.723 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccccc2C#N)cc1 917612182 LTLBQCBOPFVCJJ-UHFFFAOYSA-O 499.660 5.918 30 20 JKED CC(C)Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)cc1 917612544 XVNCQYJPXCCOBE-UHFFFAOYSA-O 470.662 6.665 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)cc1C 917659968 NPMZHYBAISCUGM-XMMPIXPASA-N 486.572 5.475 30 20 JKED N#CCCCOc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 917727666 BGTDVDGYIPKLFW-CYVLTUHYSA-N 471.629 5.051 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc(-c2ccccc2)cs1 920113636 IWCPXAIGLKQTOZ-QGZVFWFLSA-N 478.371 6.037 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)n2)cc1 920144166 XZBPQYWLWDHPHY-QHCPKHFHSA-N 492.556 6.391 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)C2(c3cccc(Cl)c3)CCOCC2)n(C2CCCCC2)c1C 920598138 JYHPQRCGEICXOM-UHFFFAOYSA-N 498.023 5.365 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cccc2c1=O 920806954 UKHRBNMYOBWMGY-LJQANCHMSA-N 498.510 6.660 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1785842716 JKQHLDVRPQKBQG-QFIPXVFZSA-N 495.664 5.370 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)cc2)CCC1 1786334245 YZNXNXGETFJCJX-VXKWHMMOSA-N 454.517 5.144 30 20 JKED COc1ccc2c(/C=C/C(=O)NC3(c4ccc(NC(=O)[C@H](S)C(C)C)cc4)CCC3)c[nH]c2c1 1786394010 QSIXPDGLEWYLOP-MYGGQEDLSA-N 477.630 5.278 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2C1 1787555130 JJUGLBMRZBUJKX-PTLVVNQVSA-N 485.024 5.186 30 20 JKED CC(C)(C)OC(=O)NCCCCCCCCC(=O)NC1(c2ccc(NC(=O)CC#N)cc2)CCC1 1787644926 LUMVSEZUPQAWGU-UHFFFAOYSA-N 484.641 5.290 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c[nH]nc4c3)cc2)CCC1 1788450023 JKRFBILENYIHIM-UHFFFAOYSA-N 472.665 5.362 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4Cl)cc3)CCC2)c1 1788480955 LHVOKBYYYHUQCY-UHFFFAOYSA-N 483.959 5.410 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1788673291 TVPCGUYOMYHSPW-UHFFFAOYSA-N 490.563 5.778 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccnc5ccccc45)cc3)CCC2)c1 1788891149 MZADGKLVYZQGCU-UHFFFAOYSA-N 464.500 5.307 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cn5c(Cl)cccc5n4)cc3)CCC2)c1 1788940030 UIYDGDHFSFQZQL-UHFFFAOYSA-N 483.959 5.229 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cc5ccccc5o4)cc3)CCC2)cc1 1789116371 PWCLVQRUQNNEDS-CCEZHUSRSA-N 475.548 5.960 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCCC4(F)F)cc3)CCC2)cc1 1789163898 SIWNEBOLSMXMPK-VWLOTQADSA-N 469.507 5.152 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1 1789508105 MNXVCVZFAUSVFF-UHFFFAOYSA-N 468.073 5.534 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(Br)ccc3F)CCC2)cc1 1789573897 FYMGGLNIJFJSTE-MZJWZYIUSA-N 498.352 5.048 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nc(O)c3)CCC2)cc1)c1ccccc1 1789600188 FUNBRMIPBGRYME-RUZDIDTESA-N 467.569 5.041 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc(C(F)(F)F)ccn3)cc2)CCC1 1789825918 ZZXNTDBOAQBKQZ-CMDGGOBGSA-N 499.514 5.349 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)c1Cl 1790083653 DSZYGHRSWWJZES-UHFFFAOYSA-N 480.955 5.821 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)ccc1F 1790521104 LEEKUNTUZNMECG-UHFFFAOYSA-N 496.464 5.102 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)c1 1792375456 ZFRRJNXMKFBIKX-HHHXNRCGSA-N 463.528 5.371 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1)C2 1793054981 MGRXIXSARLWSKW-CRNKYVSFSA-N 485.672 5.266 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Br)c(C#N)c2)C3)CC1 1801817483 OSOWTEIHSAWXJL-UXUYGWKFSA-N 486.454 5.035 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1802498823 NUSYNAVOOUXPDF-NOZRDPDXSA-N 467.730 5.131 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2OC)[C@@H]1c1cccnc1 1802502838 MPXKUAMCUPVYTL-SIKLNZKXSA-N 470.013 5.056 30 20 JKED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1802694235 NFOHCJILUZFQAD-XUZZJYLKSA-N 493.051 5.193 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@H](CNC(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1802954040 NEDXBOYSCRIZJX-GGCFSWKVSA-N 494.639 5.032 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1803087326 ROOWMYXWWAMPJG-REWPJTCUSA-N 472.416 5.476 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1809211755 SOWUDKIDOYTACV-UZINWLIJSA-N 489.019 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1809551694 FROGNCOXGRMQCG-RVFVQDDPSA-N 480.052 5.537 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@@H]1c1cccnc1 1809618261 PAVROGQODSPZHU-FXRJOTQOSA-N 463.666 5.462 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CC[C@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2c2cccnc2)cc1 1811938031 XBHSJWZPWHWGDO-PWRJCARYSA-N 496.636 5.196 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)CC3CCC(C)(C)CC3)[C@@H]2c2cccnc2)c1 1813868706 QJAHZDAGNAZYGS-UADAULAISA-N 486.660 5.635 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccccc4)CCC3)[C@@H]2c2cccnc2)c1 1813869586 KXLICOKTVYALFC-AEAGWUPHSA-N 492.623 5.150 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)cc2c1 1814379881 YMKPVBUZRNQTOU-RUZDIDTESA-N 480.572 5.010 30 20 JKED Cc1c(Cl)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1814599709 QZGHQCFLPATLEH-QFIPXVFZSA-N 461.953 5.057 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)[nH]n1 1814829392 OSKYLWCGAGCORI-QFIPXVFZSA-N 467.520 5.244 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1 1815462539 CDNNUXDXASCUHF-SCTAXSCYSA-N 499.656 5.008 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818164758 VIVCIUPLOKZBGH-SIKLNZKXSA-N 496.995 5.202 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2ccncc2)[nH]n1)c1ccccc1 1819516685 KXKRRNVOJAZNAZ-AHWVRZQESA-N 483.616 5.017 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)[nH]n2)CC1 1820976909 CZWBEASVBCVDOL-HSZRJFAPSA-N 461.610 5.123 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Br)c2F)n[nH]1 1821057372 XSLFYGMZHUYGTP-BEFAXECRSA-N 489.389 5.386 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c1 1821321133 BCTYUFBONGTLRZ-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc(Br)cnc23)[nH]n1 1821925658 XJBFJXUIZNZYMU-FOIQADDNSA-N 496.409 5.239 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(OC)c2)n[nH]1 1822129212 PLXFPIROSASGAE-GNNUASRNSA-N 450.583 5.116 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)n[nH]1)c1ccc(O)cc1 1822326170 OACFSJMGSLHYJK-RDNBXWRASA-N 496.611 5.108 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)[nH]n2)c1 1823216229 DWFFMODEYNOAEI-YCRPNKLZSA-N 472.574 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n[nH]1 1823505153 WRAWTULSIAIBIY-JNCYCUAHSA-N 465.554 5.016 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c4ccccc34)CC2)C1 1823700690 VQJCEVBDEKJVGS-RUZDIDTESA-N 495.461 5.802 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCC2)CC1 1823847271 DZMKYYZOHIIFJF-GOTSBHOMSA-N 489.701 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1824145376 XVUSOVUIPKZULL-MHZLTWQESA-N 479.640 5.628 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824352594 JEVQCPBQJDXQQM-RPWUZVMVSA-N 489.701 5.046 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824510722 TXQJPYUPSPHTHY-NLFFAJNJSA-N 474.601 5.410 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1824863999 PGVSTMGEXNMQJW-NDEPHWFRSA-N 471.645 5.052 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc([C@H](C)C#N)c3)sc2C1 1827696845 GMMBXEHOWWIWGB-CXQWBTLCSA-N 474.586 5.001 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1 1827775235 SFTAMJZWVWVZHL-HXOBKFHXSA-N 486.538 5.208 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)oc2ccccc12 1828124916 KVVIAKNBILNGEH-VDZCTEQFSA-N 490.625 5.475 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1828154193 UZOIKWBQJLLFKF-RUZDIDTESA-N 474.992 5.240 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828414261 GZOIDAVVJHRMHO-QPPBQGQZSA-N 454.577 5.292 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(F)c(F)c2)CC1 1828822767 ALOFBNYPASIVRN-RDGATRHJSA-N 458.593 5.286 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)CC1 1828933177 PWCMHJHIUFIQRP-RFRHCEIRSA-N 464.675 5.262 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1829068156 IBWXJTYNYXBIDN-DEOSSOPVSA-N 469.626 5.140 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c(Cl)c1 1830725021 XMWXKLYPZVTYNZ-BFLUCZKCSA-N 476.020 5.249 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1831373850 IFVVYOXJTMDYAT-ISKFKSNPSA-N 476.702 5.501 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccc(O)cc1 1831924072 AVFKBUVEEVQLSL-RPLLCQBOSA-N 498.623 5.569 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1832030498 NUKUTSUPEOKTMR-XMMPIXPASA-N 498.465 5.357 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832031619 RVHALUGYBDSKJO-VWLOTQADSA-N 468.613 5.041 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1832034487 MLGYGDLLOBYKEZ-QHCPKHFHSA-N 454.014 5.248 30 20 JKED COc1ccccc1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832630027 XDBAUJYEYGLTHI-WXVAWEFUSA-N 487.644 5.188 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1 1832633065 BSFHWEYMPCSQFR-BVZFJXPGSA-N 481.999 5.653 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1832829380 VAEIQAZWBNSFAG-QFIPXVFZSA-N 461.433 5.058 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)CC1 1836884242 SROVOHJEHBMXNN-DNQXCXABSA-N 495.129 5.033 30 20 JKED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccncc2-c2cccc(C)c2)C1)c1ccccc1 1843171292 UCIDHQGLLZDJNN-AREMUKBSSA-N 477.608 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)C1 1844626785 KNVNRSMURGBEBL-UHFFFAOYSA-N 455.602 5.416 30 20 JKED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)C1 1844743647 PBIUZFTXTXEONV-UHFFFAOYSA-N 492.925 5.183 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3Oc3ccc(C)cc3)cnc21 11180576 OAUYDZYEQAYOOQ-UHFFFAOYSA-N 499.017 5.568 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)c1 11259400 OKFRUYTWTRNIBV-UHFFFAOYSA-O 498.584 5.533 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)nnc1-c1ccc(Cl)cc1 11450091 QIAHKTXXRJQNAY-QFIPXVFZSA-N 471.026 5.399 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)c3cnn(C(C)C)c3n2)cc1 11679262 GUEOZFZTACVKJR-GOSISDBHSA-N 467.529 5.043 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)n(C2CCCC2)c1C 12241588 YROCRDOPXTYZML-UHFFFAOYSA-N 469.014 5.271 30 20 JKED C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1sc2c(c1C#N)CCCCC2 16763484 CCPDJTWBGYEVJV-GFCCVEGCSA-N 453.618 5.265 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2nc3ccccc3s2)nnc1-c1ccc(F)cc1 20067231 ZNSQSACAMIBBSP-UHFFFAOYSA-N 453.568 5.025 30 20 JKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 22187209 KWQYRQUYCIUIKZ-UHFFFAOYSA-N 498.612 5.163 30 20 JKED Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1-c1ccccc1 22619905 VVPRSHKSDLVZDL-JOCHJYFZSA-N 497.624 5.582 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)nnc1-c1ccc(F)cc1 22619925 YZQHYAXFQGMUIC-UHFFFAOYSA-N 453.568 5.109 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nnc1-c1ccc(C(C)(C)C)cc1 23876198 HPERJAZUSCVZGO-KRWDZBQOSA-N 452.628 5.325 30 20 JKED CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)cc1 25438272 DAAZLNLUPCJYCH-UHFFFAOYSA-N 491.613 5.272 30 20 JKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)o2)cc1 26462343 YKFSDHXRUMBKNS-SFHVURJKSA-N 498.564 5.566 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 27781572 AOTLVFIINHDLAJ-INIZCTEOSA-N 483.977 5.273 30 20 JKED Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(NC(=O)CC#N)cc2)c2ccccc2)cc1Cl 28464853 QIEPFYQKIJRXTJ-QHCPKHFHSA-N 461.905 5.037 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 29055123 NPMHQYLESSJBNL-HXUWFJFHSA-N 488.510 5.299 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)COc3ccc4ccccc4c3Br)n2)C[C@@H](C)O1 29781820 FZUFPLVJDSOJRF-GASCZTMLSA-N 490.423 5.335 30 20 JKED COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 105259446 RTROJYAYRIOKBQ-FQEVSTJZSA-N 459.933 5.029 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc2cc(Cl)ccc2s1 195664234 JOSOBDBYUJOGQE-LJQANCHMSA-N 458.930 5.666 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCc1ncc(-c2ccccc2)o1 303128620 RJSVAHBRAKXCOC-UHFFFAOYSA-N 457.343 5.781 30 20 JKED CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 481976879 XFBHHQVOVJSVDZ-UHFFFAOYSA-N 493.585 5.032 30 20 JKED CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 484666298 ABCJHUYQALRZHT-JOCHJYFZSA-N 466.368 5.636 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 490627102 NDYLBIJXQGOEPB-UHFFFAOYSA-N 484.581 5.257 30 20 JKED COc1cc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OC(C)C 497888947 DHWULYARHAMCTG-FQEVSTJZSA-N 460.578 5.367 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 497927243 LSMWWTVEMYRUBX-UHFFFAOYSA-N 497.382 5.393 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)c2cccs2)CCCC3)cc1 498309571 IGNYTZWHNUSKKP-UHFFFAOYSA-N 498.651 5.249 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 498372807 ATPRENRJFWFEMM-QHCPKHFHSA-N 470.953 5.076 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2)cs1 501449999 KTGYIZDTYYQMOE-UHFFFAOYSA-N 469.566 5.928 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)CC2)c1 501743762 QJBZVCIQWQUKJX-UHFFFAOYSA-N 499.958 5.148 30 20 JKED N#Cc1cn(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)c2ccc(Cl)cc2c1=O 502858157 RXYAPQFZDOFFIZ-JOCHJYFZSA-N 496.910 5.244 30 20 JKED N#Cc1cn(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c2ccc(Cl)cc2c1=O 502860571 YRMLZTHECRTPPN-UHFFFAOYSA-N 451.929 5.027 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1 505453282 KPLWORMAUWVZID-UHFFFAOYSA-N 491.572 5.772 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)nnc1-c1ccccc1C 505645791 OZFSYEREBDJIFA-UHFFFAOYSA-N 499.596 5.677 30 20 JKED C[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 506264948 TZQTULLZWSRUGX-IBGZPJMESA-N 481.512 5.655 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 508157010 KGYAYYKQZNXTGH-UHFFFAOYSA-N 462.981 5.138 30 20 JKED CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@@H](C)c1ccc(C#N)cc1 509574913 KVEVBXNMPDOPBW-OXJNMPFZSA-N 458.389 5.327 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)s2)cc1 510225870 XRZKZSCENRXWQH-UHFFFAOYSA-N 499.065 5.142 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F 512850601 KAXWBSKQLJIUNX-UHFFFAOYSA-N 476.458 6.424 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 512856586 NVBYYQOPHUSYQA-XMMPIXPASA-N 489.959 5.564 30 20 JKED C=CCOc1cccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)c1 513187570 CUKGYAYSVYQAEN-QFIPXVFZSA-N 482.334 5.714 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 513673262 ZJDJLZRAFMPKPV-FQEVSTJZSA-N 450.523 5.648 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC(=O)Nc2cccc3ccccc23)cc1 513864122 QKTGWFGBOXOMKY-UHFFFAOYSA-N 466.497 5.273 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 514424811 NMVOCSNIEVGDDN-KYRCVXBYSA-N 486.616 5.350 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4ccccc4C#N)c3)n2)cc1 516270438 YVJRJLGQQDSHFS-DEOSSOPVSA-N 465.534 5.759 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1 518137947 WZFFYWLTVBZYRE-LJQANCHMSA-N 479.627 5.324 30 20 JKED COc1ccccc1[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1 518162859 MRNSIDWFJDIOIX-JOCHJYFZSA-N 487.610 5.622 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)n2)cc1 518516626 PJSYBTHKMJHZGC-HSZRJFAPSA-N 477.545 6.631 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 518900794 SRRQUTHHUJFOGL-UHFFFAOYSA-N 498.474 5.016 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 520183921 URRUCOMVQDFCGB-UHFFFAOYSA-N 458.537 5.317 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC1CCCC1 520937895 LFHZBJVQGWUQQZ-MSOLQXFVSA-N 453.608 6.294 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CS[C@H](C)c1ccc(OC(F)(F)F)cc1 524613896 MXBNAAAYYMHZMB-HUUCEWRRSA-N 454.539 6.412 30 20 JKED C=C(C)COc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 589384812 REZKTVFZWOSDCE-UHFFFAOYSA-N 457.559 5.015 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCc4[nH]c5ccc(Br)cc5c4C3)s2)cc1 603648670 IMCPLGXQILAPPB-UHFFFAOYSA-N 492.402 5.440 30 20 JKED N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 603698181 XPMIHOQZWSNLGS-SANMLTNESA-N 484.559 5.593 30 20 JKED CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995787 YNQOIVMHSYTJHD-QMLMGQGISA-N 498.627 5.106 30 20 JKED CCc1cccc2c(C3CCN(C(=O)C4CCN(c5oc(-c6ccco6)nc5C#N)CC4)CC3)c[nH]c12 604193386 OSIJGBVIGDLDRI-UHFFFAOYSA-N 497.599 5.473 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)CC1 604288634 KMZSXIGBXSACHQ-UHFFFAOYSA-N 479.993 5.582 30 20 JKED CN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1cccc(C#N)c1 604433552 ZQCHMKCMFNLFQS-CPNJWEJPSA-N 454.511 5.670 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)c1 608872816 KXRBTGDNYZIDDY-UHFFFAOYSA-N 473.960 5.669 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(CN(C)Cc2ccccc2)CC1 608995653 UXAZOVRJZPQJJB-UHFFFAOYSA-N 468.601 6.035 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)cc2F)c1 609124001 MZUIJQPWRJFOTJ-QFIPXVFZSA-N 468.532 6.169 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)s2)cc1 609357141 RSBUISFKGDMBOQ-GOSISDBHSA-N 496.592 5.907 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)cc1 609382892 WMXAIICMMXFNES-GOSISDBHSA-N 465.600 5.300 30 20 JKED Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2C(F)(F)F)c1 613407603 ZENUCUBXEPVQMN-AWEZNQCLSA-N 460.868 5.953 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 613426967 MBBSJKLGHMQMME-HOTGVXAUSA-N 491.444 5.708 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccccc2CN2CCc3cc(OC)c(OC)cc3C2)cc1 620702019 YIWNOBNVNDDVIN-UHFFFAOYSA-N 458.558 5.079 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)nnc1-c1ccncc1 645072784 CILQJVJLVNCFOW-ZIAGYGMSSA-N 464.620 5.215 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@H](C)OC)c1 726395829 BRNUZJILVJLMIW-YCRPNKLZSA-N 490.025 5.042 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccsc3)C2=O)c1 726420114 HHILSGPRLKABPN-PRLFLVJASA-N 485.656 5.408 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727628952 YSYUXUNLKNRFTH-QGZVFWFLSA-N 486.569 5.175 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 728182421 OWZOUBKIQUHYDG-UHFFFAOYSA-N 452.963 5.061 30 20 JKED CC(=NOCc1nnc(-c2ccc(Br)o2)o1)c1ccc(OCc2ccc(F)cc2)cc1 729675314 BLPPBHYDZRJPST-UHFFFAOYSA-N 486.297 5.751 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)CNc3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 729675581 MGMADBOMNSGWQV-BGYRXZFFSA-N 456.546 5.015 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1sc2cc(Br)ccc2c1Cl 729873070 ULSQLOUROXPTGF-UHFFFAOYSA-N 495.807 5.728 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCC2)cc1 730461430 OPTBSFOBAYMOCP-JOCHJYFZSA-N 451.592 5.215 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccc(N2CCCCC2)s1 730584565 VNSYIMSPIPNNQC-UHFFFAOYSA-N 468.435 5.387 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 730685619 AVOMOSMYJAMCDX-CYBMUJFWSA-N 495.910 5.566 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)no2)cc1 730858635 OZCFUKANDCKPEG-INIZCTEOSA-N 471.435 5.161 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 731066632 DMYGSGZDYFCANS-OAHLLOKOSA-N 455.536 5.082 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc3cccnc23)cc1 744993754 NOIVGZSFHQGMON-HSZRJFAPSA-N 472.614 5.159 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc3cccnc23)c1 744997599 SSKICSLOWJSFGC-DEOSSOPVSA-N 498.583 5.843 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3cscn3)C2=O)cc1 747602247 JZQAAOSOHFTFKD-HSZRJFAPSA-N 486.622 5.765 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc(-c2ccccc2Cl)s1 748003804 LBHGFFKDWOVJGF-GFCCVEGCSA-N 450.734 5.731 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 837300293 DWFLYDFQEWPCQD-CJAUYULYSA-N 498.583 6.095 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)cc1 837743903 FDXHBHDBLPTQQI-NRFANRHFSA-N 481.574 5.250 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3ccccn3)C2=O)c1 838267672 SOGNTWQVTKJNMH-NTKDMRAZSA-N 490.604 5.867 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F 838571780 RCJMEAQYZRTZLX-IBGZPJMESA-N 497.489 5.887 30 20 JKED C[C@H](OC(=O)c1occc1CSc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 857860173 RXBOFGKKXVRGSR-AWEZNQCLSA-N 452.557 5.178 30 20 JKED N#C[C@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nnc2n1CCCCC2 915101188 RBIBEBFYMDQEPY-OFNKIYASSA-N 450.995 5.357 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 915102176 SXIONKHEDOSYPF-SFHVURJKSA-N 471.003 6.022 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2ccccc2n1C(F)F 915107382 RWFLRSINQFLNND-INIZCTEOSA-N 459.543 5.555 30 20 JKED CCN(CC)C(=O)c1ccc(C/N=C/c2cc(Br)cc(Br)c2O)cc1 915112637 BPALKRHWDXPKKE-WSDLNYQXSA-N 468.189 5.018 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 915352932 KPGRXNPUMVZLMX-LCLWPZTBSA-N 469.429 6.373 30 20 JKED C[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 915511814 GQAQKFLYJGRPBB-MRXNPFEDSA-N 470.441 5.013 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(OC)ccc3OC)C(=O)N2C2CCCC2)cc1 916215641 WHERPDDUHSZZMC-QHCPKHFHSA-N 497.617 5.005 30 20 JKED COC(=O)c1ccc(COc2ccccc2C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1 916546552 XRPVEUWHGASPMT-UHFFFAOYSA-N 492.988 5.472 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)s2)cc1 916900050 LZXUIOPVKXVTMF-QGZVFWFLSA-N 483.977 5.449 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916916150 ONPWTUYJEWJVJK-QFIPXVFZSA-N 498.995 6.222 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916929804 ASIXCLUNXQVOGE-OAHLLOKOSA-N 490.343 5.716 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916945265 UIPAZFVTGJMWFZ-YADHBBJMSA-N 479.319 5.409 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 916955224 NILNPQWWGZMNBG-KKSFZXQISA-N 477.586 5.231 30 20 JKED CCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916995761 HEFVTEVHYSJCKN-GOSISDBHSA-N 473.381 6.355 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nc(-c2ccccc2)cs1 917026213 BGTGVBUKRFSWBB-QFIPXVFZSA-N 472.953 5.950 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 917430464 KUJWESNMYVFQIO-WZONZLPQSA-N 489.601 5.091 30 20 JKED COc1cc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1Cl 917564166 YPKXTWUGUJFLGY-RMKNXTFCSA-N 477.369 6.048 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O 917675191 GJQXUQOQKDAURR-QFIPXVFZSA-N 479.627 5.697 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccc2OC(F)(F)F)C1=O 917702480 VUTSUADBDFZMDY-HXUWFJFHSA-N 487.503 5.006 30 20 JKED COc1cc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(C)C 918258584 VQSHKWXMDZOVMB-QFIPXVFZSA-N 491.975 5.046 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 918382485 GRGIQUGBLPRMSE-FBMGVBCBSA-N 450.535 5.067 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 919773549 QRLDDMKRKLYDGB-YADARESESA-N 452.583 6.657 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 920111240 KAXKTOZGERVAGY-INIZCTEOSA-N 467.234 5.159 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@H]2CCCO[C@H]2c2ccccc2)C1=O 920358787 BFXBFIAIQSOAEL-CWDLOFLHSA-N 487.625 5.075 30 20 JKED C=C(Br)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1 920985233 RNWSQYIXJWIVIN-GOSISDBHSA-N 476.371 5.003 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2F)ccc1Cl 921291276 LXQRFQWVPXESCS-UHFFFAOYSA-N 462.905 5.252 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1785907282 YAPWUFMDBVBGIZ-UHFFFAOYSA-N 483.653 5.534 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC(F)(F)C4)CCC3)cc2)c1 1786038706 MPHKOLHMXCOZDP-FQEVSTJZSA-N 451.517 5.060 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)cc1C#N 1786245603 GYZSVOQUUZPJBG-UHFFFAOYSA-N 495.570 5.919 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccc(C(F)(F)F)c4)cc3)CCC2)CC1 1786598649 WHLDFZOYMSJPCH-BJMVGYQFSA-N 453.464 5.156 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(OCc5ccccc5)cn4)CC3)cc2)CCC1 1786788286 PLNVEHWDAHQETF-UHFFFAOYSA-N 494.595 5.130 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)c(Cl)cc3F)CCC2)cc1 1787889190 MTKMDSUDQVOQAB-UHFFFAOYSA-N 478.749 5.293 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4nccc5[nH]ccc45)cc3)CCC2)c(Cl)c1 1788465391 JCKWSDYGMSAKIC-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCC1 1788507659 IDDJJEJSVKHOAQ-UHFFFAOYSA-N 495.023 5.281 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(=C)CN3C(=O)OC(C)(C)C)CCC2)cc1 1789458318 WHNFUSHVXQSNCV-RPWUZVMVSA-N 493.648 5.455 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCC2)cc1 1789458355 XNYQBSYWYVDECD-XQUALCHDSA-N 493.648 5.002 30 20 JKED Cc1ccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc1 1789577580 JNZXTRKNAHWNHW-ZCTHSVRISA-N 492.579 5.517 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3-n3nccn3)CCC2)cc1 1789625479 GRCSMYNVZKIJCA-UHFFFAOYSA-N 457.578 5.007 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)cc2)CCC1 1790052494 PGCPVWSELBLDAF-FQEVSTJZSA-N 477.605 5.072 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)c(Cl)c3)CCC2)cc1 1790569492 OOHUNECVPDKRJW-CQSZACIVSA-N 463.912 5.167 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(-n4cccn4)cc3Cl)cc2)CCC1 1790604928 ZDWGQHWGDNEVJD-UHFFFAOYSA-N 481.021 5.193 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCC1 1790648220 JSNOMWKRAOYYKQ-HNNXBMFYSA-N 464.459 5.183 30 20 JKED Cc1cccc2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)[nH]c12 1790706508 IHXDTSYTPCBDEL-UHFFFAOYSA-N 462.553 5.604 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5cn4)cc3)CCC2)cc1 1790830607 NHOWIDMMCPCBDM-UHFFFAOYSA-N 464.525 5.080 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCc4cccnc4)cc3)CCC2)cc1C#N 1791951629 MPNIJKIHSLAQKP-UHFFFAOYSA-N 496.611 5.511 30 20 JKED Cc1ccccc1NCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792122874 TXIYJJWLAKWHCW-OAQYLSRUSA-N 466.585 5.482 30 20 JKED COc1ccc(COCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1 1792127437 YPXWMLVAQUESEV-OAQYLSRUSA-N 497.595 5.287 30 20 JKED CC[C@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C#N)c1Cl)c1ccccc1 1799301306 CCBIYBOWYDUDJO-JHXDLCHDSA-N 464.009 5.293 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1 1800630627 BIDUINAYDGZSEY-NDBXHCKUSA-N 495.664 5.074 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c1 1802777862 BRNAOHIDZZWWMD-SAQVGAHLSA-N 490.966 5.135 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CCCc3ccc(C(F)(F)F)cc3)[C@H]2c2cccnc2)C1 1803491361 OHORQBOVPAUQEP-SQJMNOBHSA-N 485.550 5.095 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1808423526 TXWUGPMIBJHBRO-LALGMVQUSA-N 493.673 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@H]1c1cccnc1 1809200186 VKZLWSCNTGTIKO-MHECFPHRSA-N 480.559 5.153 30 20 JKED C=CCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 1810386660 JWOGGKYFXXXDST-UHFFFAOYSA-N 471.523 5.188 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccccc4)CCC3)[C@@H]2c2cccnc2)c(Cl)c1 1812990071 BZCHKCBKSBEZTB-NVQXNPDNSA-N 499.014 5.048 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[C@@H]1c1cccnc1 1813229484 QMBXUEGZGJWRJK-IUGBQFMMSA-N 499.577 5.190 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(C)s2)[C@@H]1c1cccnc1 1813369754 BYLVCFLBHCQMNB-HFXZDLCHSA-N 451.636 5.163 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[nH]n2)C1 1814397351 NTPRVTZMAVRZET-HXUWFJFHSA-N 473.404 5.407 30 20 JKED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1)c1ccc(Cl)cc1 1814659572 CSGIHHSRKZXZSE-NYHFZMIOSA-N 479.943 5.183 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(Br)nc2C)[nH]n1 1814828642 BPZWECABXMRNIF-MRXNPFEDSA-N 492.443 5.011 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1815095835 JUIZRTJRWKABKQ-IERDGZPVSA-N 494.020 5.421 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1815243141 LXZQFZRNPNOWQT-MJGOQNOKSA-N 485.576 5.071 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)ccnc2Cl)n[nH]1)c1ccccc1 1816045366 GASASIXVDDMRNP-RXVVDRJESA-N 493.970 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816201698 MNXDDNHPNDWMTR-ZJSXRUAMSA-N 475.568 5.618 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c(Cl)c1 1819029352 NGOAIIVCRATEGJ-QGZVFWFLSA-N 496.017 5.831 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4[nH]3)n[nH]2)c1 1819192305 MWZZOLKNOQNOHV-QVKFZJNVSA-N 472.574 5.199 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc(F)c(F)c(F)c2)[nH]n1 1819309520 CSYZXNJSVVMYJJ-OBEBJHFJSA-N 472.511 5.301 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)c1Cl 1819481299 NHDKBKWMZKECJZ-XDWZDTHNSA-N 488.375 5.043 30 20 JKED CSc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1O 1820195474 SIVYSIKTOLDFQH-HXUWFJFHSA-N 498.725 5.194 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c1 1821125058 WMLKMACCHMVIBI-VFNWGFHPSA-N 479.943 5.449 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)c1 1823215849 HOTNVDJPEOCBHC-LHSJRXKWSA-N 497.933 5.588 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCCCCCCCCC(=O)OC)n[nH]2)C1 1823534903 ZTABMZDDFVWNOI-QHCPKHFHSA-N 486.657 5.442 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Br)cc4cc[nH]c34)CC2)C1 1823700265 KUBGARIKLOWHSD-JOCHJYFZSA-N 484.438 5.130 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 1824052815 TUDSGUSPXQZHJZ-SANMLTNESA-N 478.036 5.007 30 20 JKED O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824410165 APXMSNRGCNSWFA-RUZDIDTESA-N 492.019 5.174 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@H]3OCCc4ccccc43)CC2)c1 1824424593 FDHGDVPOYYBMJS-MXUAVAHLSA-N 499.655 5.251 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1824957639 PWXAKKYMEBYNPM-DEOSSOPVSA-N 499.627 5.179 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ncccc2C)CC1)c1ccccc1 1825116603 XGGBYRPDRMSTHK-PXJZQJOASA-N 485.672 5.140 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)c2ccccc12 1826688829 QSRWGLVXKCPXRF-AREMUKBSSA-N 457.618 5.004 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1826693285 NWSFHBLAGHBGKY-HHHXNRCGSA-N 495.623 6.169 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3oc4ccccc4c3C)CC2)c1 1828128531 VNHBMFKIYHGPNP-RUZDIDTESA-N 485.584 5.169 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)c2[nH]1 1828215454 USSMSLXBZBZZCY-VWLOTQADSA-N 489.019 5.549 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1828459334 LURDNLBHUQMBCI-QCTFRZATSA-N 459.675 5.014 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)CC1 1828600234 TXNWEQUEDAICDP-IBGZPJMESA-N 475.452 5.473 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1828779425 YRLSNXZSNIHXAM-FDDCHVKYSA-N 499.677 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1828822641 LCSXPWDEDWQPQT-RPWUZVMVSA-N 476.583 5.636 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 1828824198 FPYRCLMEBNXQMG-LADGPHEKSA-N 492.689 5.515 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)CC1 1829290362 PPJXJDXURBOZDO-ZCYQVOJMSA-N 461.606 5.343 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3O)CC2)c1Cl 1829689383 CVEQPSZHTQANKY-JOCHJYFZSA-N 491.975 5.211 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829955667 OPIVENWIDVOFME-SWHLDRTQSA-N 473.642 5.406 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)CC2)c1 1830100181 YMZGCTKMJKCZQA-BVZFJXPGSA-N 465.544 5.139 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=N/N3CCCCC3)CC2)cc1 1831750445 GAEGADZGCCPMCO-NOJQWQQXSA-N 494.724 5.053 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(Br)cc2C)CC1 1832029731 NWQWPYUTLYQLKB-IBGZPJMESA-N 479.484 5.246 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832690986 UMDZGGDQRVQRMM-JOCHJYFZSA-N 489.925 5.176 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)c3ccccc3)CC2)cc1C#N 1832702015 ALHOZAQMSBAPHI-XNMGPUDCSA-N 491.607 5.290 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1832800395 PDIWORKRCQPFTO-DNVJHFABSA-N 475.555 5.160 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(CCCCC)s3)CC2)CC1 1836697198 APFSNXLIMYTANO-UHFFFAOYSA-N 487.710 5.256 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](c2ccc(OCc3ccccc3)cc2)C(C)C)C1 1847227725 LIWIRHFCEJTSNK-HZFUHODCSA-N 472.629 5.173 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 9414636 PFFAENMGCTWPAH-UHFFFAOYSA-N 474.373 5.101 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2C2CCCCC2)cc1 11366565 FJPHFXLAXRBMNS-QGZVFWFLSA-N 461.591 5.450 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)s2)cc1 15356225 KEYHXKPAPRVWES-UHFFFAOYSA-N 458.572 5.017 30 20 JKED Cc1cc(S[C@H](C)C(=O)OCC(=O)Nc2ccc(F)cc2Cl)n2c(nc3ccccc32)c1C#N 21087716 RQANRYOGKXJVNS-CQSZACIVSA-N 496.951 5.123 30 20 JKED C=CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccc(Br)cc1 22583706 CRYGGRZUGMHSLB-UHFFFAOYSA-N 453.365 5.841 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)c(Cl)c1 22732724 YISNWJXGQXPGBH-UHFFFAOYSA-O 480.824 6.308 30 20 JKED CCOc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)s2)cc1 28934582 UPPCXYSPVGMMIH-GJZGRUSLSA-N 472.636 5.219 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1 29811392 CLJMACAYZRCZFH-SBUREZEXSA-N 491.979 5.419 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccnc1SCc1c(C)noc1C 106116182 YNPKWHPXKYKDFF-UHFFFAOYSA-N 471.542 5.598 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 107807404 DHJUZERXGYEFRQ-UHFFFAOYSA-N 490.563 5.698 30 20 JKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 107897854 MVRMJORIMRQMQW-UHFFFAOYSA-N 469.488 5.562 30 20 JKED CCC[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Cl)c(Cl)c1 409611830 KCSGUDGHYYKFHN-JOCHJYFZSA-N 473.404 5.767 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481351285 RXNGHMMZHFFACS-MRXNPFEDSA-N 499.464 5.453 30 20 JKED C=CCn1c(SCc2nccn2CC(F)(F)F)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 483064194 ZBVALPDQXXZMKC-UHFFFAOYSA-N 494.539 5.810 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 499381389 ZUPPNCZXLDRDAY-INIZCTEOSA-N 471.627 5.038 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 501021202 USMCDCSGUPVPGO-VWLOTQADSA-N 483.955 5.899 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 502643935 IGSIHZGGNFDVCV-BXKMTCNYSA-N 472.976 6.227 30 20 JKED CCn1c2ccccc2c2cc(NC(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)ccc21 502824099 ANNPXMGXFUVYSG-UHFFFAOYSA-N 454.917 5.293 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(OCc2cscn2)c1 504051157 BRIHAGSXFFWUAR-UHFFFAOYSA-N 476.371 5.844 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)nnc1-c1cccs1 505645315 NBYXQBAKPBPHGP-UHFFFAOYSA-N 491.598 5.430 30 20 JKED C=CCN(C(=O)c1ccc(CN(CC)C(C)C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 508847455 BCQIALXCHYOXKM-UHFFFAOYSA-N 464.591 5.781 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)[C@@H](C)c1ccc(C#N)cc1 509575715 QJIKEVUUQCZULC-SFHVURJKSA-N 490.401 5.725 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CC2)c1 509951913 APYQOAGROJZCFY-HXUWFJFHSA-N 486.572 5.278 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 511682314 OXOQXYIBGNFRGK-UHFFFAOYSA-N 459.782 5.262 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cccnc1SCc1cccc(Br)c1 512863633 DZPFDVHZNFMMBG-UHFFFAOYSA-N 468.376 5.659 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 513353113 UAIWWBWZEAHUEJ-UHFFFAOYSA-N 491.551 5.098 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)o1 515542460 OWLDKVJZHPVARN-PSNSNTLYSA-N 478.643 5.720 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1 515711229 NIVDWQXHDPQHBK-UHFFFAOYSA-N 492.944 5.795 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OCCC)cc2C)nnc1-c1ccc(Cl)cc1 515725081 BLYLYBLSNKESHZ-UHFFFAOYSA-N 456.999 5.613 30 20 JKED C=CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 515983600 ZLAQQBCILSBLIX-UHFFFAOYSA-N 498.320 5.361 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)N3CCCN(c4ccccc4C#N)CC3)s2)cc1 518636326 KPAZKCSNSNJCIP-FQEVSTJZSA-N 459.619 5.282 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] 518642100 SJAKCODFEGEFEM-QGZVFWFLSA-N 452.561 5.742 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 519084438 AUTMFFHBNNQXBV-NSHDSACASA-N 487.031 5.913 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cc2)cc1 519988763 JVYCOZZSZLADJW-UHFFFAOYSA-N 459.933 6.131 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 520939134 LGPXERFOOVNHJX-KRWDZBQOSA-N 464.557 5.695 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1C 521313989 KMVLBZDENYCARM-VWLOTQADSA-N 476.024 5.301 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 521740448 WEIFYNSUZTWDEG-UHFFFAOYSA-N 456.011 5.303 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 523234101 VZFPJJCFPWJPJP-UHFFFAOYSA-N 480.524 5.035 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2C2CCC2)nnc1-c1ccc(Cl)cc1Cl 524497670 USLQOVUNQJYTSH-GOSISDBHSA-N 451.423 5.321 30 20 JKED COc1c(Br)cc(Cl)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 524599714 OWCLHOJEFRZMRT-UHFFFAOYSA-N 464.747 5.058 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1C1CCCCC1 524675881 XQUAOMUIARKENG-GOSISDBHSA-N 453.530 5.221 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)cc1 594651466 BDZXMDPJYFELOI-XOEMUTSUSA-N 481.571 5.472 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3Sc3ccccc3C#N)s2)cc1 603449635 UHDJBJJOHQDTHJ-UHFFFAOYSA-N 485.619 5.977 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604139401 KFTAUJXFBKSYNU-SIBVEZHUSA-N 470.573 5.711 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 608918004 ADHYKIPSRAJXNF-RUZDIDTESA-N 458.631 5.339 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)c1 609012068 BOFBTQHZVRPXEI-NRFANRHFSA-N 459.468 5.080 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609063210 PYBLMFGGIFRBMY-UHFFFAOYSA-N 490.972 6.123 30 20 JKED COc1cc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)[nH]c2c(OC)c1OC 609072348 JVQBGFGTCUGYPW-UHFFFAOYSA-N 471.513 5.205 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4cccc(Oc5ccc(C#N)cc5)c4)CC3)c2c1C 609176362 FYMBTKLNLDYSHK-UHFFFAOYSA-N 483.597 5.827 30 20 JKED N#Cc1ccc(CNC(=O)c2ccccc2SCc2ccc(Br)cc2)c(F)c1 609229244 XMCAQQMHSLMWNV-UHFFFAOYSA-N 455.352 5.682 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 609381513 NHLANLDUCVFEPB-QHCPKHFHSA-N 469.545 5.258 30 20 JKED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609401783 UOPVYBYRLVUNTN-UHFFFAOYSA-N 477.552 5.606 30 20 JKED CC1CCC(OC2CCN(C(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)CC1 609405440 IRXKABFIFYLDTE-OWZGOFHBSA-N 494.035 5.520 30 20 JKED CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 609427852 VHOZHHUJMYNPJT-LJQANCHMSA-N 485.675 5.244 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc(OC)c1OC 611897400 DZWJCKVITLUEFO-UHFFFAOYSA-N 474.435 5.549 30 20 JKED O=C(NCc1ccccc1F)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 618543431 RXOAWVXMMYWRCX-HZPDHXFCSA-N 491.407 5.350 30 20 JKED O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N[C@H](CC(F)(F)F)c1ccc(F)cc1 622477659 GTRFFQUYAUOHRY-CQSZACIVSA-N 457.777 5.505 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)NC1CCCCC1)C(C)C 639394372 LYRCMZLTXIMYFR-NRFANRHFSA-N 463.047 5.262 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1-c1ccc(Cl)cc1 642019094 MAZUYMXFYRQYQS-MRXNPFEDSA-N 466.994 5.842 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282051 HCRPDHCFSVNOEJ-MRXNPFEDSA-N 459.474 5.841 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 726393151 MVKRKIXESQBYMR-VGOFRKELSA-N 471.598 5.334 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1F 726410748 IMKJYTKGPRJNOS-HXUWFJFHSA-N 469.563 5.056 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2ccccc2CC)c1 726573129 MMDFFARVLYSMCY-UHFFFAOYSA-O 473.621 6.412 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccc(C)cc2)cc1F 726575423 INBVVOPYTPVDDJ-UHFFFAOYSA-O 494.612 5.550 30 20 JKED C[C@H](c1cccs1)N1C(=O)/C(=C\c2cccc(OCc3cccc(C#N)c3)c2)SC1=S 726630763 XHDATZRCTRQCEN-QLPFJNHISA-N 462.621 6.161 30 20 JKED Cc1cc(C(=O)N2CCC[C@H]2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1[N+](=O)[O-] 726731036 CVIUNAHJKWDMEZ-NQIIRXRSSA-N 494.960 5.161 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc1-c1ccc(F)cc1 726732925 MOBIOHYZAYDIPB-QGZVFWFLSA-N 460.502 6.139 30 20 JKED N#C[C@H](C(=O)COc1ccccc1OCC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 727954938 WSXJPYJJNPUYCM-GFCCVEGCSA-N 474.382 5.511 30 20 JKED C=CCN(C(=O)/C=C\Sc1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 728189190 FWGGFOCQNRKRNZ-SQFISAMPSA-N 456.614 5.039 30 20 JKED Fc1cc(Br)ccc1NN=Cc1cn(Cc2ccccc2)nc1-c1cccnc1 728433005 MTMDRPNRZPHWME-UHFFFAOYSA-N 450.315 5.341 30 20 JKED CS(=O)(=O)c1ccc(-c2nc(COC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cs2)cc1 728669623 QSNROLIZDSIZED-UHFFFAOYSA-N 490.562 5.235 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCCCC#N)C1=O 728776502 CHZRZBXKQGOTBF-FQEVSTJZSA-N 488.972 5.142 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 729552840 MSIAKBDPRPYWPM-SKBVVQJISA-N 488.632 5.985 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ncccc2C)cc1 729634706 RJFIUKBFTGAHEQ-QHCPKHFHSA-N 458.587 5.167 30 20 JKED C[C@@H](OC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F 729660584 NWPYUZDZWVAAFK-BRAIEQGRSA-N 467.312 5.586 30 20 JKED C[C@@H](OC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F 729660587 NWPYUZDZWVAAFK-WWQCOOJYSA-N 467.312 5.586 30 20 JKED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 729769475 RFBNJZFMJHFZRD-LLVKDONJSA-N 450.709 5.309 30 20 JKED N#CCCN(C(=O)COC(=O)CCc1nc2cc(Cl)ccc2s1)c1cccc(Cl)c1 730608950 OTUAMRBYHOKDSZ-UHFFFAOYSA-N 462.358 5.026 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)NCCc1ccc2c(c1)OCCO2 730955047 SQCUWKBZVWZEDP-UHFFFAOYSA-N 467.538 5.011 30 20 JKED CC(C)(C)n1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(-c2ccccc2Cl)n1 731150424 DJRYZZRXYOAXFJ-UHFFFAOYSA-N 485.444 6.378 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c1 731306047 JUKGEVBESTZIDJ-FDDCHVKYSA-N 477.586 5.194 30 20 JKED CC(=O)NCc1ccc(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)cc1 745867833 NYFIRTKKPVXNLO-DEOSSOPVSA-N 488.569 5.157 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2csc(Br)c2)c1=S 747788121 CLJMOSFWNIZVLA-UHFFFAOYSA-N 465.442 5.189 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc3c(c2)CCO3)C1=O)Nc1ccc(F)cc1F 750914967 AOVAKMUHQRUTMB-HSZRJFAPSA-N 493.535 5.060 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2ccccn2)c1 837348599 BLIBHMWBBUTSDC-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(Cc2cccs2)C1=O 837424981 ZWNXWJSLMBSERE-JOCHJYFZSA-N 479.627 5.534 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 837932344 YLOJKAYAUBTGCJ-MWTRTKDXSA-N 494.567 5.644 30 20 JKED C=CCOc1ccc(/C=C/c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cc1OC 904595540 XJIUHEFUXWIJEU-ZRDIBKRKSA-N 453.926 5.132 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)n2)c1 904635966 LWPZYCZYAOEHST-WYVJCVMXSA-N 495.580 5.338 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@@H]2C[C@H]3CC[C@H]2C3)[n+]2ccc(C(C)(C)C)cc2)C=C1 912844159 NKMDBVLQDLHOKS-GREBRCKQSA-O 464.655 5.031 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 915087915 XZOALKBPCUSJEQ-QFIPXVFZSA-N 476.363 6.875 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 915106224 AARXCWUGCRZCAE-CTNGQTDRSA-N 458.468 5.169 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC 915106913 IVDQSMRVLMCIGB-AWEZNQCLSA-N 492.320 5.410 30 20 JKED Cc1ccc(NC(=S)Nc2ccccc2C#N)cc1S(=O)(=O)Nc1ccccc1Cl 915994353 LNCPHPFEJIYUOC-UHFFFAOYSA-N 456.980 5.130 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccc(F)cc2)c1 916206339 QGNPGWPNXCYXIP-QHCPKHFHSA-N 495.551 5.176 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccco3)C2=O)c1 916211379 NJJWVBMCDPQLJA-JOCHJYFZSA-N 463.559 5.066 30 20 JKED O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1csc(-c2cccc(Br)c2)n1 916306009 GXXGDWPGBYRGLU-UHFFFAOYSA-N 462.328 5.356 30 20 JKED COc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cc1CC(=O)O 916546770 BZRKODQSNHVVFY-SREVYHEPSA-N 458.333 5.104 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@@H](C#N)c4ccc5ccccc5n4)cc3)ccc12 916848273 ISDPGIUKQCSDPD-DEOSSOPVSA-N 460.489 5.719 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905063 LRSLTRHBKARZIT-ZCYQVOJMSA-N 465.509 5.090 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 916976170 MLBQZXDDKXVSHR-GOSISDBHSA-N 468.365 6.581 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccs2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997251 UKORITZVGUYVKW-AWEZNQCLSA-N 476.435 6.721 30 20 JKED COc1ccc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cc1OCc1ccc([N+](=O)[O-])cc1 917028651 UBUHPFMHDURXPM-UHFFFAOYSA-N 495.948 5.265 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 917430461 KUJWESNMYVFQIO-FDDCHVKYSA-N 489.601 5.091 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cc3ccccc3o2)C1=O 917657599 FQQVTAWEWRIXHY-SFHVURJKSA-N 462.358 5.007 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cccc(C)c2)C1=O 917702336 GISIFWDVGGPKKN-XMMPIXPASA-N 484.581 5.036 30 20 JKED CC[S@@](=O)c1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 918051148 RGDSLJATITZRRI-RCUPCANXSA-N 486.659 5.084 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 920102762 YEXWVKZLBNICHV-HXUWFJFHSA-N 470.529 5.589 30 20 JKED CCCCCCn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2ccccc2c1=O 920140411 GTOPDIKBGRBANJ-JOCHJYFZSA-N 481.581 5.462 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](OCC)C2)ccc1Cl 920226783 YXHYTJPNBYEHRV-HXUWFJFHSA-N 497.444 5.016 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c1 920354641 DOWQMVNUNZMWGO-HSZRJFAPSA-N 476.602 5.323 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2nnn(-c3cccc(Cl)c3)c2C)cs1 920390022 WDQDBEVEGXEEOP-FLIBITNWSA-N 481.940 5.405 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2c(F)cccc2F)cs1 920803768 BWRHVYCBGSHPNV-AWEZNQCLSA-N 470.888 5.601 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)cc1 1786333385 RUDADEIXYLPAEU-BJKOFHAPSA-N 483.543 5.257 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4sccc4C)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1787280188 VBDYOCQCJXLOQN-NRFANRHFSA-N 495.645 5.370 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C(F)(F)F)cc2)CCC1 1787397720 ZEDDEXOYIBTLBN-UHFFFAOYSA-N 452.498 5.274 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(F)c3)cc2)CCC1 1788375010 QMKZSEWNQDFELJ-IBGZPJMESA-N 488.563 5.436 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)c1 1788724457 GQULKNCIBBIYCF-INIZCTEOSA-N 481.474 5.987 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@H](C)C#N)c5)CCC4)cc3)[nH]c2c1 1788975827 LRRKSPRUQIGGLC-LJQANCHMSA-N 492.579 5.865 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789199801 YYFHGAMRROTXDU-AJTFRIOCSA-N 499.627 5.238 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1789560743 LXVJQSLIDZIWAI-FCFFNXBQSA-N 498.583 5.025 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)cc1 1789877568 ICRUNELBTMUORU-UHFFFAOYSA-N 478.474 5.228 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789991453 YXEHWPKVCOTHRR-UHFFFAOYSA-N 498.583 5.553 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnccn5)c4)cc3)CCC2)cc1 1790079212 KCXIYSAKFNVHEH-UHFFFAOYSA-N 473.536 5.077 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)c1Cl 1790084023 UZHXIEJBZGSGFB-UHFFFAOYSA-N 454.313 5.520 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)ccc3O)cc2)CCC1 1790246257 QPDIGXUXRCQAED-UHFFFAOYSA-N 469.379 5.096 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3occc3C)CCC2)cc1 1790519016 COBHKDCEHRCOJL-NRFANRHFSA-N 481.593 5.195 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(F)cc(Cl)cc3Cl)cc2)CCC1 1790720939 RUEGGAUZJLKZCX-AWEZNQCLSA-N 480.367 5.681 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)C5CCC(F)(F)CC5)CCC4)cc3)c2c1 1790834800 WWNFMEIGKJPCIP-UHFFFAOYSA-N 477.515 5.008 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc4ccoc4c3)cc2)CCC1 1790892099 PCSQOPFFLKSESG-ZHACJKMWSA-N 470.550 5.681 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(Cl)cc3OC)cc2)CCC1 1791150982 FRBGNGJJNJYMFS-UHFFFAOYSA-N 452.982 5.219 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)CCC2)cc1)C(F)(F)F 1791302627 CLVYGTAHTCLOFF-UHFFFAOYSA-N 496.411 5.219 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CC3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791409488 WLVOKKGEFOISNL-HXUWFJFHSA-N 495.664 5.370 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)S)cc3)CCC2)ccc1CNC(=O)OC(C)(C)C 1791576667 ATBLAZJPZDANNE-GOSISDBHSA-N 497.661 5.086 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)cnc4s3)CCC2)cc1 1791583736 FYRAUPJWZYUYHO-UHFFFAOYSA-N 496.430 5.610 30 20 JKED CO[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1)c1ccccc1 1792122341 KEKIHCZBYHUZBS-RXFWQSSRSA-N 467.569 5.449 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c4CC[C@@H]5C)CCC3)cc2)c1 1792124021 YOBOUXBNSMFQBO-ZWKOTPCHSA-N 467.573 5.148 30 20 JKED COc1cccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@@H](C)C#N)c5)cc4)CCC3)c12 1792127328 WEKQREFGVWKVHQ-IBGZPJMESA-N 492.579 5.865 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CC3(F)F)cc2)CCC1 1792246911 KKXFEEBOVRYSSS-DVECYGJZSA-N 491.579 5.025 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)cc2)CCC1 1792372958 QXMWZOIQQFMJJH-PMVMPFDFSA-N 499.627 5.236 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(F)CCCCC1(F)F)C2 1800410524 YKXSIXJCHWBNAI-MWBIGIAMSA-N 480.424 5.014 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nscc23)[C@H]1c1cccnc1 1802499821 JRKKFPIIXBMUAO-CVDCTZTESA-N 462.619 5.003 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803086174 FODGKSFOEOZGLZ-FYYLOGMGSA-N 471.523 5.188 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)[C@H]1c1cccnc1 1803087860 WTMHSNMOCRALPO-YWEHKCAJSA-N 498.602 5.371 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1803565099 DLIJXVAZYZVIGP-NEEKEDPPSA-N 499.655 5.165 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)s3)C2)CC1 1806797768 IOWLKAYTFITHPV-UHFFFAOYSA-N 479.162 5.226 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)[C@H]2c2cccnc2)c1 1807468721 XDLBLVNHMAMVPN-DOEKTCAHSA-N 481.706 5.017 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807846159 UQAFCFQYJRRNMF-UHSQPCAPSA-N 494.639 5.540 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1)c1ccccc1 1807964550 DHSCQSMWSCMZJA-USZFVNFHSA-N 497.620 5.406 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810174399 NILTWMYKWSCOFX-WWNPGLIZSA-N 471.523 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810725970 ILFIRKOYLPYPJJ-YEEURNOCSA-N 469.585 5.406 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c(CC)nc4ccc(Cl)cn34)C2)CC1 1810754906 WSDJLOIWIXZONI-UHFFFAOYSA-N 485.072 5.387 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1811716736 RFZSJVHLHPESDI-PGRDOPGGSA-N 474.432 5.700 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1811786850 KEGGYBDIGCCXEV-YKSBVNFPSA-N 496.995 5.040 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1811821846 MMMJECIZDRUUCB-REWPJTCUSA-N 472.416 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811863780 WFWRYJADUOWEEU-RBBKRZOGSA-N 473.539 5.412 30 20 JKED CCCCCc1cccc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1 1811888347 BAVXCMSEAIQQNS-PQHLKRTFSA-N 494.639 5.248 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3[nH]c(C)cc3c2)[C@@H]1c1cccnc1 1812274160 NHKBDZWSGCLVHF-DHLKQENFSA-N 458.606 5.183 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1)C(F)(F)F 1812683518 POAOVVBWGLIVMP-WIYYLYMNSA-N 473.520 5.043 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1812743327 MZLNLXAYFAZILQ-WNJJXGMVSA-N 489.736 5.080 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1812828103 NXIFIPCTHQXOFV-XTEPFMGCSA-N 459.634 5.222 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)[C@H]1c1cccnc1 1813231845 YOKONRIAPFGMDO-OFSOJUDTSA-N 497.614 5.325 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)cnc2C)[nH]n1 1814442585 OXLFUVVIWNLTOE-LJQANCHMSA-N 488.430 5.174 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[nH]n1 1815249588 ZLYACRCBBGWOGE-YOMUGFJLSA-N 496.599 5.265 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1815653962 OGZTVEOLXRAITJ-QFIPXVFZSA-N 475.618 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc3ccccc3c2)n[nH]1 1816826194 LFBCXBABYDSDKA-ILBGXUMGSA-N 456.590 5.566 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3c2)n[nH]1 1819130212 WKJWZMSEIYMWLU-OAQYLSRUSA-N 479.378 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)[nH]n1 1819552872 HTJSWCPNBOBGLZ-FUDKSRODSA-N 464.610 5.207 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)c1 1820506064 AMOOHUWSDWNSSN-HXUWFJFHSA-N 486.334 5.347 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1 1821278581 STXWAGFNYIDMLV-JOCHJYFZSA-N 494.020 5.341 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1)c1ccc(O)cc1 1822470034 XWIMINKBOJGLJF-XOAPRFQVSA-N 474.605 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occc4c3)[nH]n2)c1 1823215492 SWYHBVZVANOLPM-UZUQRXQVSA-N 467.529 5.403 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)CC1 1824145260 FIHIJANTICURJE-RUZDIDTESA-N 465.613 5.169 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1824393196 YTGSDOXDGVJROW-DFBJGRDBSA-N 479.621 5.111 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1824500510 ILZXJRNEGMKUKZ-JOCHJYFZSA-N 467.437 5.210 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1824960554 GNOHYZQSATXVFZ-SANMLTNESA-N 494.701 5.536 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826285378 GNGIHPKZXWNPOH-DNQXCXABSA-N 489.701 5.046 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccsc3)CC2)c1Cl 1827103954 VLQWQZVCKXWFED-QFIPXVFZSA-N 470.038 5.139 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1827173386 NJWCTMVKAPQZIN-MUUNZHRXSA-N 482.628 5.214 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1827530996 SDRLBYNLHVIDNI-QHCPKHFHSA-N 499.099 5.776 30 20 JKED Cc1cc2cccc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)c2[nH]1 1827697939 VGVFKAPQOFXSEA-QRWLVFNGSA-N 483.597 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)CC1 1827908742 AUGBGPXOOPGJKB-KNQAVFIVSA-N 465.560 5.046 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc5ccccc45)CC3)c2c1 1828009551 FEQDEQOAXLQMQI-HHHXNRCGSA-N 491.595 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1828824697 OMFUWNGHTOZPMG-IRLDBZIGSA-N 489.056 5.359 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)CC1 1828826337 BSSORKWXNQXLJN-OUPFVLIJSA-N 464.675 5.262 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 1828826645 JPDCYTHXCYLBPN-ZCYQVOJMSA-N 461.606 5.343 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1828826972 PHURMZUIBACFFA-JYFHCDHNSA-N 460.622 5.078 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 1828827544 XLNNZHQRMFCLBX-AHKZPQOWSA-N 472.633 5.145 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1828847263 OFLLCARRFVIIFR-BVAGGSTKSA-N 481.757 5.158 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2OC)CC1 1829072031 VDUUSXADLOBCFV-OAQYLSRUSA-N 461.046 5.574 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1829631128 AYDSXUZBIHHOBV-MWTRTKDXSA-N 489.994 5.612 30 20 JKED CCC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)n1cccc1 1829688826 JVKHTMNWNLFLRZ-RPWUZVMVSA-N 481.040 5.288 30 20 JKED C[C@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CC=CCC1 1829692596 KGCPKSZEJZOLDD-GJZUVCINSA-N 454.014 5.191 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1830016304 ISHWAGJKPAMKKS-JOCHJYFZSA-N 471.935 5.037 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1 1830493485 GTJUTZODYBLTQD-HHHXNRCGSA-N 482.584 5.226 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nn(C)cc3c2)CC1)c1ccccc1 1830856572 KGZJYEMYZLGRDI-YTMVLYRLSA-N 496.655 5.004 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1)c1ccc(O)cc1 1830910278 HSCUVSWQBZGYNW-LBNVMWSVSA-N 498.623 5.569 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978577 RPFIYZPQIRDICR-CPJSRVTESA-N 489.616 5.252 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)ccc2[nH]1 1831037096 FTTYXVTWMSGZGP-WTYVLRPYSA-N 482.628 5.651 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 1831367684 MJWLVAXCONXNHM-IERDGZPVSA-N 465.407 5.034 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1)C(F)(F)F 1831451329 RQEIVCWPFAXMLC-AWEZNQCLSA-N 469.356 5.407 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1)C(F)(F)F 1831452790 CGFCZFWPQGFYFL-HSZRJFAPSA-N 486.534 5.831 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1831528229 BRNKCNNKFJDXIU-AMGIVPHBSA-N 457.618 5.098 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1F 1832635326 ABTJDSOVYBHOBM-NTKDMRAZSA-N 479.571 5.447 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)CC1 1832720924 CKMRFZCRUXXTSE-FQEVSTJZSA-N 479.846 5.139 30 20 JKED COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1F 1832750560 DVILTIFEDXZNHB-QHCPKHFHSA-N 486.704 5.119 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)cc1)C(F)(F)F 1832787835 GVHNBVWBEYGXID-WMZHIEFXSA-N 489.582 5.208 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)CC1 1838375343 CGLVIXNZLQTDJK-NRFANRHFSA-N 496.545 5.225 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CC1 1838665807 OQQQDCMWFKMGRI-UHFFFAOYSA-N 498.973 5.165 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C2 1841318846 BVNHLLZHSKBCNF-UHFFFAOYSA-N 483.534 5.353 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 9826869 DDPKROJGGSAGDO-NRFANRHFSA-N 478.405 5.040 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173443 ILCVHPFHRHTSMI-UHFFFAOYSA-O 496.612 6.086 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1C#N 10711549 VWKPNOXPGQCRGA-MRXNPFEDSA-N 457.555 5.404 30 20 JKED COc1cc(-c2nnc(SCc3ccc(C#N)cc3)n2C2CCCCC2)cc(OC)c1OC 11020202 ZSFFDQULOVJUAK-UHFFFAOYSA-N 464.591 5.640 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccc(F)cc1 16835733 HGPNITSPKMYYHV-LBPRGKRZSA-N 484.906 6.062 30 20 JKED C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 16864299 KLGAHUOGIVFREB-CQSZACIVSA-N 455.971 5.688 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H]2c2ccc(OC)cc2OC)c1=S 16874405 YJFBFAKXTDTMQO-NRFANRHFSA-N 454.571 5.218 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2cccc(C)c2)cc1 22730297 DENNTLSAOWQJEW-UHFFFAOYSA-O 457.522 5.334 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccccc2Cl)cc1 22730371 GPXVRSOSYCRZRP-UHFFFAOYSA-O 459.969 6.254 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)NCc2ccccc2)cc1 22730712 LBIDXVYCDUEVPW-UHFFFAOYSA-O 453.578 5.885 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)cc1 22733118 HRDZDDKOMCOGNW-UHFFFAOYSA-O 462.378 5.436 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccc(OC)cc1 23554310 YOFBCIJIPSDUDV-HXUWFJFHSA-N 484.625 5.526 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 27128808 VGRRRIAZXKFTDH-UUOWRZLLSA-N 486.597 5.099 30 20 JKED CC(=O)N(c1nc(CSc2nc(C)nc(C)c2C#N)cs1)c1c(C)cc(C)cc1Cl 29674213 QIHSOTPMHSVJIB-UHFFFAOYSA-N 458.012 5.669 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c(OC)c1 29710579 MRWINIQFOJZRNL-UHFFFAOYSA-N 466.969 5.080 30 20 JKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1ccc(Cl)cc1 30684046 BEDSETNIAYJCLZ-UHFFFAOYSA-N 455.008 6.209 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CCCc3nc(-c4ccc(F)cc4)no3)c2)c1 32291485 JXJKXWPFHLSMIQ-UHFFFAOYSA-N 456.477 5.288 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 33150647 HRGSRWVUTCUAEZ-UHFFFAOYSA-N 497.374 5.113 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC1 108373377 VTGZCAKNDZMFDK-UHFFFAOYSA-N 486.503 5.379 30 20 JKED Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 215826322 IVDAPRJRBSIWAZ-UHFFFAOYSA-N 459.640 5.965 30 20 JKED C=CCn1c(SCc2nc(CCOC)no2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 303161523 FGTUOJXYBIDNAT-MRXNPFEDSA-N 473.668 5.208 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)C[C@H](C)O1 410366729 RAGRGSJSIOJNIP-GOTSBHOMSA-N 498.627 5.263 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 478835790 SLNCIROEHWLYSC-LJQANCHMSA-N 459.402 5.504 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(C(F)(F)F)c1 481446327 NWRKBYBQMWUAPI-OAHLLOKOSA-N 485.437 5.111 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481626695 ODWJAYVRWXDTRH-UHFFFAOYSA-N 483.547 5.460 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481658360 NLOVZFXUETXRSZ-INIZCTEOSA-N 460.534 6.111 30 20 JKED CC(C)(C)[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)cc1 483698830 MHGHGDHNPOWDBN-NRFANRHFSA-N 450.514 5.065 30 20 JKED CC(C)(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Br)cc1 491467383 HBIRDPWDKAEFOZ-UHFFFAOYSA-N 473.421 5.381 30 20 JKED N#C[C@@H](C(=O)c1cc2cc(Br)cc(Br)c2o1)c1ccc(C(F)(F)F)cn1 492515213 LWKOVQNWSBYHCE-LLVKDONJSA-N 488.057 5.862 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)ccc1OCc1ccc(Cl)cc1Cl 497805962 UUUIFNDZNMPJGE-SFHVURJKSA-N 485.371 5.389 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)nc(C(C)C)n2)nnc1-c1ccc(Cl)cc1Cl 499456732 VOBMOOCKKBMUOB-UHFFFAOYSA-N 477.421 5.391 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1C 499836333 UUWKWXROTCEWKX-QHCPKHFHSA-N 493.405 5.057 30 20 JKED C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 503254395 MAAIXWWHXUWKGM-OAHLLOKOSA-N 462.600 5.265 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)nnc1-c1ccccc1 505050391 HWDJQUDZHALFOT-OAHLLOKOSA-N 489.523 5.460 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c2)cc1 509915849 YHQQARWKQJCMGG-RUZDIDTESA-N 469.541 5.472 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccncc1 515353863 ONHPPTDWSHABAT-KRWDZBQOSA-N 477.590 5.077 30 20 JKED Cc1nc(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)sc1SCC#N 517520137 USTSQGFLMHSMFH-UHFFFAOYSA-N 451.982 5.314 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)n1 517917922 BCEPTQBTXVEDNY-KRWDZBQOSA-N 470.934 5.051 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccc4SCCC#N)CC3)c2c1C 518649784 RNRJVUKKAYOZPW-UHFFFAOYSA-N 451.621 5.169 30 20 JKED O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 519160034 ZUCXLPMRAIQQQW-INIZCTEOSA-N 464.337 5.233 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 519874238 PITJVINQRUXJFF-UHFFFAOYSA-N 482.890 5.093 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 520197839 QUURLMWIIFZHKC-QGZVFWFLSA-N 451.571 5.707 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1Cl 520933694 HCRVOKAPDMQYPU-GPXOXTDOSA-N 491.950 5.110 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1 523252480 NNTCGCSWKDIIBD-QFIPXVFZSA-N 467.928 5.090 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(F)ccc2Cl)nnc1-c1ccc(Cl)cc1Cl 524386048 HHBYZTNTCDLHMP-UHFFFAOYSA-N 471.772 5.961 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 590235116 RBVJJXJILLUQLK-NRFANRHFSA-N 456.542 5.373 30 20 JKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(-c2ccccc2Cl)n1 595127244 KXYVRNKWJXVDHA-HNNXBMFYSA-N 452.942 6.197 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2n[nH]c(-c3ccccc3Br)n2)c1 597713960 NUTDJVHNFKEXNP-MRXNPFEDSA-N 484.423 5.279 30 20 JKED CC[C@@H](C)Cc1c(C)sc2nc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)nc(O)c12 598795132 GATLNPJJWWMQDQ-WBVHZDCISA-N 498.674 5.730 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603689539 OVXSIQGVARJWTA-UHFFFAOYSA-N 488.935 5.492 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1 603968018 HYTCNBMFJXNICB-UHFFFAOYSA-N 473.579 5.364 30 20 JKED N#Cc1cccc(CS(=O)(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)c1 604041510 CTWLULAGGWAHLI-UHFFFAOYSA-N 471.538 5.157 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1 604090090 HBZBWOURGXCEFO-UHFFFAOYSA-N 480.012 5.018 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 604186913 QUSCHHJGKPUOIO-UHFFFAOYSA-N 496.405 5.294 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604230517 DPSSXPUTLDFETP-UHFFFAOYSA-N 470.508 5.371 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)o2)cc1 604497378 VHBQTBKOOOPYHY-UHFFFAOYSA-N 466.497 5.045 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(N4CCCCC4)CC3)cc2Cl)c1 609079606 DFOIZOFHGKOMIQ-UHFFFAOYSA-N 452.986 5.273 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 609079736 JYLCILGWPGGWJO-JOCHJYFZSA-N 480.612 5.893 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NC(c3ccccc3)c3ccccc3)cc2Cl)c1 609084111 QQTICMJPCPMSQT-UHFFFAOYSA-N 495.966 5.635 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)cc2F)c1 609104147 QGOZIBBSJIRDGW-UHFFFAOYSA-N 487.918 5.392 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 609254828 RWJKVEVYCGUQTN-DEOSSOPVSA-N 488.975 5.694 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 609398567 BOEFLHBKVGRBQN-QGZVFWFLSA-N 452.555 5.829 30 20 JKED Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c(C)c1 609428548 UADSBDBLTBRIHQ-HXUWFJFHSA-N 485.675 5.046 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609437569 AWKLKPUEEGHSTA-MRXNPFEDSA-N 456.527 5.118 30 20 JKED Cc1sc(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)nc1-c1ccc(Cl)cc1 609438878 XPNLGQCAOIXGAL-AWEZNQCLSA-N 485.034 5.421 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)[nH]c1Cc1ccccc1 611164948 QVAAYXRVFKVYLJ-UHFFFAOYSA-N 487.604 5.517 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cn1)c1ccccc1 613289779 UTUMODZIEJOQKQ-HNAYVOBHSA-N 470.554 5.301 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc12 613319979 QWPLTVIRJISOMG-AWEZNQCLSA-N 486.778 6.206 30 20 JKED N#C[C@@H](C(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)c1nc2ccccc2o1 614439616 AZBHMJATJXYJIT-KRWDZBQOSA-N 478.277 5.472 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1cccc(Cl)c1 617898167 UZLKSAIHMXEOLE-AWEZNQCLSA-N 461.856 5.348 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4)n(-c4ccccc4)n3)n2)cc1 619756500 GKSHKVRVDPKIHD-QHCPKHFHSA-N 471.545 6.025 30 20 JKED O=C(CCc1ccc(Br)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 621030512 TYJOSKJCWOQRBM-GHMZBOCLSA-N 450.192 5.110 30 20 JKED O=C(c1cc(F)c(O)c(Cl)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517904 QWVQVGWJLVLLSJ-HNNXBMFYSA-N 471.756 5.436 30 20 JKED Cc1cccc(-n2ncc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2C(F)(F)F)c1 642158908 XNTXSGYKTMTYLG-VXGBXAGGSA-N 487.366 5.839 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642386952 WKEIEWBGWSYRGO-IUCAKERBSA-N 456.736 6.390 30 20 JKED C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nnc1-c1cccc(C)c1 684985609 GPMMBZREWDAQPF-UHFFFAOYSA-N 457.481 5.399 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726074970 YPYKIVGJWPCNDE-SANMLTNESA-N 468.532 6.233 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC[C@H](C)OC)c1 726402071 VTNAUXGISXSSDZ-UUOWRZLLSA-N 491.613 5.234 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 726573786 PWTPMWVZNVZKNF-UHFFFAOYSA-O 475.637 6.432 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2ccc3c(c2)CCCC3)c1 726574011 XLTPTABUGBYPPC-UHFFFAOYSA-O 487.648 6.825 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 726696584 SHKTVTDINJJJAV-RCZVLFRGSA-N 497.986 6.457 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12 726754613 OFOLZFGVWHOOOQ-UHFFFAOYSA-N 453.546 5.438 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 728122809 OQGGHLHUUIDTOO-UHFFFAOYSA-N 465.369 5.093 30 20 JKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 728412851 FCVDOSALFWQSTG-CYFREDJKSA-N 463.562 5.916 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(Cl)ccc(C)c1Cl 728429602 JHSMCZLGKNXLEL-INIZCTEOSA-N 484.380 5.048 30 20 JKED COc1ccc(CSc2nn(CN3CCCN(c4ccccc4C#N)CC3)c(=S)s2)cc1 728710500 ZHBCJMDOCYWMKN-UHFFFAOYSA-N 483.688 5.016 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCCCC#N)C2=O)cc1 728778645 DQLQZJKRBQDWDF-QFIPXVFZSA-N 482.581 5.187 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728780438 TVMFKILFEQBVQK-NRFANRHFSA-N 487.000 5.750 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c1OC 729430659 ZAKNVPZAJSYLEH-KRWDZBQOSA-N 466.950 5.061 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 729633309 CVFGYWFYXURPIA-VWLOTQADSA-N 498.583 5.843 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 729634131 INJBGYKGKOZPGJ-OAQYLSRUSA-N 498.530 5.569 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(C3CCC3)C2=O)cc1 730461405 ODPAFYJWGBTUTJ-XMMPIXPASA-N 471.582 5.555 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O)Nc1ccccc1Br 730462036 VECUEPZCPGQLPJ-SFHVURJKSA-N 476.371 5.101 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CC2)C1=O)Nc1ccc(SC(F)F)cc1 730491607 UMYFGNOCEUNWEQ-QGZVFWFLSA-N 465.522 5.263 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1)c1nc2ccccc2o1 730690262 QYBTVPLJGFWGKJ-KSFYIVLOSA-N 465.278 5.726 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 730944958 JDXXCGIYKLSFCC-RXFWQSSRSA-N 494.620 5.634 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)nnn1-c1ccc(-c2ccccc2)cc1 731288638 YUUSTZSGVCNESE-RUZDIDTESA-N 471.520 5.357 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1 731308773 NWXXBDJXZDMXEQ-XMMPIXPASA-N 495.645 5.264 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2F)cc1 731313174 UDFJJRVBNNYXNR-JOCHJYFZSA-N 481.524 5.139 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1C1CC1)c1ccc(Cl)cc1Cl 731316254 UVZXVCBNJLNLNA-XEMLZOAQSA-N 478.401 5.251 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(CSc2nc3ccccc3s2)n(C)c1=S 745161797 DFQHVBOTFFBASQ-UHFFFAOYSA-N 498.659 5.407 30 20 JKED CC(=O)Nc1cccc(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)c1 745867848 OEUWHJCNGBBQGP-HSZRJFAPSA-N 474.542 5.480 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCOC(C)(C)C)C1=O 746697374 CPTVDHYNUUIOLQ-HXUWFJFHSA-N 490.025 5.124 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c1 747112077 OIGBTMOIGRHMIY-KRWDZBQOSA-N 460.342 5.016 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cscn3)C2=O)cc1Cl 747602243 JZFPCMRZTKBISL-LJQANCHMSA-N 488.997 5.405 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 747803616 KJOVRPRVRDNIOB-URXFXBBRSA-N 464.635 5.333 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)cc1 748481589 FESVRWRHCWLURH-QFBILLFUSA-N 463.969 5.519 30 20 JKED O=C(/C=C/c1ccc(-c2ccccc2Br)s1)c1ccc(N2CCOC2=O)cc1 748584401 PNUJENACTXDDPP-PKNBQFBNSA-N 454.345 6.030 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(F)c(Cl)c1 799214816 OILXSXOFQXEGRH-MRXNPFEDSA-N 484.778 5.222 30 20 JKED CCc1cc2oc(=O)cc(CSc3nc(O)c(C#N)c(-c4ccc(OC)cc4)n3)c2cc1Cl 824953554 LJVNNLBZWUKUCA-UHFFFAOYSA-N 479.945 5.344 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N([C@H](C)c3cccnc3)C2=O)c1 837286157 SNLCHTDICAJJPQ-AUSIDOKSSA-N 488.613 5.429 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 837349455 XXRDDJZBFCQVMK-FQEVSTJZSA-N 469.563 5.056 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 837549872 NUTCCIMZTCMHRL-DFBJGRDBSA-N 480.593 5.956 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC(C)C 838503787 FLTSRAXWAGTRPQ-LJQANCHMSA-N 479.524 5.330 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2cccnc2Oc2ccccc2)no1 904453503 QEIRTLSXEBTFSS-UHFFFAOYSA-N 493.317 5.536 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913118797 BZPRTIBZNFYBPD-LJQANCHMSA-N 491.400 5.098 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)cc1 915087031 PLQILNWRRRFLMU-NRFANRHFSA-N 459.962 5.181 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2csc(C3CCCCC3)n2)CC1 915390545 XCOFHJGTSZTJKJ-UHFFFAOYSA-N 466.563 5.270 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2cccs2)cc1 915743817 VCAMZKQHRIMHLZ-IAPPQJPRSA-N 493.632 6.371 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1csc(-c2ccccn2)n1 915943703 KBYBGBMYMZQQAB-UHFFFAOYSA-N 463.975 5.488 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(OCc2ccccn2)c1 915945280 ZFXYHNOABFZQEG-UHFFFAOYSA-N 452.539 5.290 30 20 JKED O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C\c3csc(-c4ccccc4)n3)cc2)cc1 916133669 GULMHMSKCHBCPI-QINSGFPZSA-N 490.562 5.205 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C(C)C)cc1 916205651 IWLFOQPYXCBWTM-FQEVSTJZSA-N 493.551 5.436 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccccn3)C2=O)cc1 916207811 LXROLAMVWLPTTF-XMMPIXPASA-N 486.597 5.062 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccccn3)C2=O)cc1 916210244 CYGVHCLTCIVXTE-XMMPIXPASA-N 486.597 5.062 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(C3CC3)C2=O)cc1Cl 916210258 YWGBHMHFXLPCAY-GOSISDBHSA-N 464.374 5.125 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(C[C@H]2CCCO2)C1=O 916216840 ZWJRBIVHIHCTRI-QPPBQGQZSA-N 495.645 5.232 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc3ccccc23)N(CCOC)C1=O 916217283 JQIGVWPTHJSROB-XMMPIXPASA-N 491.613 5.235 30 20 JKED Cc1ccc(C/N=C2/NC(=O)[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)cc1 916232933 RULAHTGAIMGPRA-INIZCTEOSA-N 456.782 5.072 30 20 JKED CCOc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OC(F)F 916283792 SXTBHHXBCPPTAI-UHFFFAOYSA-N 455.486 5.316 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(N3CCCCC3)s2)cc1 916320850 MBNRQOWVMOABQW-UHFFFAOYSA-N 455.653 5.377 30 20 JKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)[C@H](C#N)c2ccccc2)cc1 916623047 YVFXZCUCZFMIEW-XMMPIXPASA-N 468.582 5.225 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916887887 RSRFBHYTQTUNSI-AWEZNQCLSA-N 482.352 6.000 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COc1ccc(Oc2ccc(C)cc2)cc1 916902602 GBDGZGXYWSRRGV-RUZDIDTESA-N 456.542 5.639 30 20 JKED Cc1ccc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(Br)c1 916906278 RTEGHFQRFLINSM-CLEWGBKMSA-N 475.342 5.911 30 20 JKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 916907043 GQKBAXSUCVBSOO-VWLOTQADSA-N 476.532 5.932 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 916910579 RVFLFIXAHJFEJA-HNNXBMFYSA-N 460.342 5.299 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 916916530 VJORCTVTPKFDRS-QFIPXVFZSA-N 493.485 5.058 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)cc1Cl 916940821 ZMTOCHRVDWOOBD-MRXNPFEDSA-N 479.360 5.397 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1 916956284 ZLRNBFSLDYOTLL-BTYIYWSLSA-N 465.550 5.644 30 20 JKED O=C1CCc2cc(C3=NNC(=Nc4cc(C(F)(F)F)ccc4Cl)SC3)c(F)cc2N1 917626722 VZZNJAMNNDQKMT-UHFFFAOYSA-N 456.852 5.111 30 20 JKED COCCCn1c(-c2ccc(NC(C)=O)c(SC)c2)csc1=Nc1ccccc1C#N 917645982 GRGNSCPARXRBAN-UHFFFAOYSA-N 452.605 5.037 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccsc2)C1=O 917695601 AKBFBFOBHTVPPR-HXUWFJFHSA-N 487.553 5.195 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C#N 917704207 VHKADZHQURPDKY-FQEVSTJZSA-N 496.564 5.367 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 920358194 ZBGFFJJGEYYSID-FQEVSTJZSA-N 486.956 5.244 30 20 JKED N#C[C@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2c(F)cccc2F)cs1 920804312 PFLKMIXDCAAQIJ-OAHLLOKOSA-N 458.580 6.447 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c(=O)oc2c1 921010060 FCQWBYYTUKKQMJ-UHFFFAOYSA-N 454.482 5.345 30 20 JKED Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 921249173 CDBSVGBYSGSUOL-BXDIUNCMSA-N 493.588 5.828 30 20 JKED CSc1nc(O)c(C(=O)NCc2cc(Cl)ccc2Oc2ccc(C)c(C)c2)cc1C#N 1438920274 LKFWDFNETKKBSS-UHFFFAOYSA-N 453.951 5.373 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc4c(c3)nc(O)n4CC(F)(F)F)c2)cc1 1443688595 NVHXPWGFSHBVQO-UHFFFAOYSA-N 452.392 5.220 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccnc4)[nH]n3)CCC2)cc1 1785842971 MPTKCCHHPSYFJC-UHFFFAOYSA-N 457.578 5.212 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3OC)cc2)CCC1 1785977327 UATNBMJGJOAJGA-UHFFFAOYSA-N 450.579 5.201 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3F)CCC2)cc1 1786548328 SERFPUXNQZAGJB-JOCHJYFZSA-N 499.558 5.182 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)c(C(F)(F)F)n1 1786619837 CBUPVCLISJSIRX-UHFFFAOYSA-N 498.427 5.452 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1789211670 IQRASIVHVKJEHQ-AJSBUHFISA-N 483.653 5.416 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)CCC2)cc1 1789457846 BSHXTLPWGAYKJW-VQIMIIECSA-N 486.538 5.046 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccccn34)CCC2)cc1)c1ccccc1 1789601017 XMYCEXOSCQWRCI-SANMLTNESA-N 490.607 5.588 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4F)cc3)CCC2)c1 1790071744 NUYYHIYJSGPPAS-UHFFFAOYSA-N 470.479 5.379 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)CCC3)cc2)c1 1790144266 BBLGTSORQFKDNB-UHFFFAOYSA-N 485.931 5.256 30 20 JKED CC(C)(C)OC(=O)NCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790255879 YGKXGTLSXGPLJW-UHFFFAOYSA-N 490.604 5.001 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(F)c(F)c4)CC3)cc2)CCC1 1790365159 WTBYZLNWOXXYEK-UHFFFAOYSA-N 468.544 5.113 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C)CCC2)cc1 1790472522 GYGXOBZVCRQZCF-HSZRJFAPSA-N 493.604 5.033 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)[nH]n3)CCC2)cc1 1791300567 OBWKRZFDQSWBKN-UHFFFAOYSA-N 450.489 5.036 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)CCC1 1791399707 YVQPJTFQITZDMF-NFBKMPQASA-N 495.664 5.370 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)cc2)CCC1 1791482472 YYXJUZREZUPUDN-VXKWHMMOSA-N 465.391 5.100 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791709593 OMVCVQOOVCGCAQ-NRFANRHFSA-N 495.664 5.536 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CC3(C)CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792381467 YKFWHSBMPJUPPT-UHFFFAOYSA-N 495.664 5.536 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)ccc1F)C2)c1ccc(Cl)cc1 1793223733 KLUAZSMCKPQICW-XARGGIHNSA-N 467.972 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C13CCC(NC(=O)OC(C)(C)C)(CC1)CC3)C2 1798334886 PIJCBRPGESYPEY-QZTNMNAWSA-N 499.696 5.011 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCC3CC3)cc1F)C2)c1ccccc1 1798556932 OITNZQCZLRBFHU-UHCVVMIDSA-N 488.603 5.064 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn3cc(C(F)(F)F)cc(Cl)c3n1)C2 1798592775 YZKMHXJDHPAEME-BJWYYQGGSA-N 496.961 5.251 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)c1 1800688323 CQHHYDMMUWUYAK-KOUNCHBCSA-N 484.987 5.148 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1802958720 SUURWPDWPULEAD-DGPALRBDSA-N 494.639 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2ccccc2)C3)c1 1803680402 BRODUKQAEVTWNV-OXCBMLQPSA-N 479.580 5.672 30 20 JKED C[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1)c1ccc(Cl)cc1 1805198677 RAUBACQZLSBYBA-SFHVURJKSA-N 484.427 5.514 30 20 JKED O=C(/C=C/C(=O)N1CCC2(CCCN(C(=O)CCc3ccccc3Cl)C2)CC1)c1cccs1 1809355826 VAZIMMBXZBWURF-PKNBQFBNSA-N 485.049 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1810501956 FTPQWOXCSVLLCP-BDYUSTAISA-N 493.717 5.712 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)[C@@H]1c1cccnc1 1810503105 OCSCVJWQELVYRC-WIOPSUGQSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1810759586 UKCYYDHYSODBTD-MDNUFGMLSA-N 487.522 5.068 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1811207350 RIBCWPRMYBJHCA-ZJSXRUAMSA-N 451.998 5.131 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)[C@H]2c2cccnc2)cc1 1811889369 OUVWPKOMOQDPOT-JPYJTQIMSA-N 497.357 5.033 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1811950967 OJCNVNFDUPNAFX-LMSSTIIKSA-N 480.612 5.029 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1812697818 NLFBLKCJFYIBAI-YEEURNOCSA-N 490.648 5.276 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1813230175 GEYPQJLXOWYKGJ-MXBOTTGLSA-N 481.640 5.375 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1813832563 BLYVVBVEYWADAY-ZJSXRUAMSA-N 451.998 5.131 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1814443427 XQYRGOAKORHHAV-NRFANRHFSA-N 451.546 5.328 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)ccc2c1 1814738361 ACIAMVRPQPDKSX-SANMLTNESA-N 492.583 5.077 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@@H]2CNc3ccccc3C2)n[nH]1 1817372868 KBNVODGIXHZYMB-NIRIFSCTSA-N 475.637 5.235 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccs2)n[nH]1)c1ccc(O)cc1 1817496765 JMIPPPOVAVWEET-KWXKUIHTSA-N 488.613 5.080 30 20 JKED CC(C)n1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(F)(F)C(F)F)[nH]n2)c(C(F)(F)F)c1 1818213325 KVVSPUMINIWNNE-CQSZACIVSA-N 497.415 5.017 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)n[nH]2)CC1 1818441313 IXBDWCSSUNCFIH-VWLOTQADSA-N 490.567 5.235 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)n[nH]1 1818918797 AITNULJAXTWWQA-HXUWFJFHSA-N 485.426 5.252 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(Br)nc2C)[nH]n1 1819305525 LFOBEUORWFBIIZ-GOEBONIOSA-N 492.443 5.011 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1 1819359034 FUFWTJFPXNPXEI-CQLKWFSRSA-N 485.613 5.396 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)[nH]n1 1819557670 RWWGSTAJJQNKFM-UYAOXDASSA-N 489.661 5.088 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932779 WNBOBCATKMSKSV-HXUWFJFHSA-N 461.591 5.033 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820078924 BGAINGQSNWHEMT-NLFFAJNJSA-N 481.600 5.848 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820089289 KEDRKEJGPJUMNU-NQIIRXRSSA-N 471.561 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cncc(C(F)(F)F)c1)CC2 1820102671 ZHXODGOVQJBXLD-QGZVFWFLSA-N 494.583 5.094 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821046656 CZWDXOMTJDTKBQ-ISKFKSNPSA-N 478.618 5.462 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2CSc2ccccc2)n[nH]1 1821262683 CXKOKBOSYIFSKW-VGOFRKELSA-N 480.659 5.326 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c(Cl)c1 1821274354 DXXNMLISASDSFU-HXUWFJFHSA-N 486.334 5.347 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OCc3ccccc3)c(OC)cc2C)n[nH]1 1821286926 IANHYPIRMSFZJA-HSZRJFAPSA-N 488.588 5.188 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1822393386 TYRNMUKTGNGHLF-XXBNENTESA-N 492.023 5.460 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)[nH]n2)c1 1823211480 MLYYAZBUJFTGGK-QRWLVFNGSA-N 482.009 5.300 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)ccc2n1 1823215512 TVKDNIUCVLVOIF-WXTAPIANSA-N 492.583 5.513 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823312005 COAUJIVMMYMMJJ-SFHVURJKSA-N 491.817 5.325 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)[nH]n2)CCC1 1823378125 ANLNGWAWZDAQHG-HSZRJFAPSA-N 492.583 5.329 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1823811665 KIEQFUKRVNXKHZ-GDLZYMKVSA-N 498.671 5.025 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1824141916 AMJDZYSTRFGMCG-FUCFDFLFSA-N 489.660 5.578 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1824240697 BLGNTCDMHBSQQZ-NSOVKSMOSA-N 471.645 5.426 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1824539275 VBYTVECLHMLRAG-YADHBBJMSA-N 495.611 5.374 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccns2)CC1 1825678567 PMPPHXOWVGHHAQ-AREMUKBSSA-N 483.637 5.090 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c1 1825856537 FFGRYLXHWHHEBP-LAUBAEHRSA-N 470.038 5.576 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1)c1ccc(O)cc1 1826283395 FXPIHNQVYFLUFS-AHKZPQOWSA-N 464.650 5.089 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c(C)c1 1827683888 OJIDLNFZLFXNCE-BREAQWACSA-N 464.631 5.037 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1827844404 KFPMEDYTAWQOLG-QFIPXVFZSA-N 483.012 5.008 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)c1 1827876058 UJYCUIOMHRAFFM-NDEPHWFRSA-N 492.623 5.476 30 20 JKED COc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c2c1 1828140462 JOWDZXJVRUNREH-NGOKVRLYSA-N 498.627 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3cc(C)c(C)cc3[nH]2)CC1 1828852885 NSSDEJILHUJUNE-RDGATRHJSA-N 462.638 5.181 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1828885681 FWSPJTSELVOXSF-OFNKIYASSA-N 489.081 5.361 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)CC1 1829423676 CYWNGCAABZFRAE-SFHVURJKSA-N 471.589 5.388 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c1Cl 1829690338 WXHSCVSLMLXVCH-NRFANRHFSA-N 493.032 5.368 30 20 JKED COc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1C 1829693013 SMTAFRQOMIGJJE-DEOSSOPVSA-N 494.035 5.005 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829959239 QAKAWNZINJINFS-HSZRJFAPSA-N 469.507 5.124 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1 1830007715 WJPJVCPLQFFAED-RPBOFIJWSA-N 497.680 5.006 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1830014866 LYSNARQYLRXEFL-MHZLTWQESA-N 478.596 5.167 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830017217 VSNCQCHTBYRHRL-AREMUKBSSA-N 473.617 5.283 30 20 JKED Cc1noc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601601 FUFZSAHOJJKPSY-MUUNZHRXSA-N 495.623 5.238 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC#N)CC2)cc(C(C)(C)C)c1 1830644030 UJAUWJJVULZCAH-VWLOTQADSA-N 465.682 5.819 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1830684134 SDRNOQCLVFUAEH-MHZLTWQESA-N 482.628 5.267 30 20 JKED Cc1nc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)ccc2s1 1830718356 FHSOSUDFLRFZJA-DEOSSOPVSA-N 490.604 5.163 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(Cl)c1 1830722804 REKNCFKZHDLNSQ-HSZRJFAPSA-N 471.935 5.037 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1831447002 BOKMZEKELKJHLG-QFIPXVFZSA-N 489.607 5.116 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1)C(F)(F)F 1831455149 GVPMRERSCKGYQW-OAQYLSRUSA-N 493.570 5.023 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1831714633 HDWOUKSLBQJSRP-ZBLYBZFDSA-N 487.644 5.107 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1831844807 WXUUTXCONPRPPQ-UUOWRZLLSA-N 454.611 5.044 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Br)cc3c2)CC1 1831851830 ALZJIAJLBQTMLZ-XMMPIXPASA-N 496.449 5.034 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1832030788 ZNSJNUHUPPZUQK-VWLOTQADSA-N 452.639 5.291 30 20 JKED COc1cccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2C2CCCCC2)c1 10073766 BPIVRLOQIDYHFY-GOSISDBHSA-N 490.633 5.395 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccccc2CC)c1C 10827974 NKICALWVPFNEBZ-UHFFFAOYSA-O 485.029 5.362 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)cc1 11264540 MRTSELVYDKBDKH-UHFFFAOYSA-O 460.667 6.338 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SC[C@H](O)COc3ccc(C#N)cc3)n2Cc2ccco2)cc1 11811748 NLULIIRBTCTFSH-JOCHJYFZSA-N 488.613 5.288 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(S[C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)nnc12 12427291 LDQMHQSRRCLFJA-QHCPKHFHSA-N 481.581 5.011 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2ccccc2c1=O 16736073 ZTOMKKXRVKRUAB-GFCCVEGCSA-N 467.900 5.374 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2cccs2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 16771682 ADMONQKCKKCZBJ-HNNXBMFYSA-N 499.658 5.617 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2cc(-c3ccccc3)sc2c1=O 21494360 OVILWZPKTYSICN-UHFFFAOYSA-N 463.584 5.050 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccoc1C 22226427 ZUUCYTYEVHBWOB-CYBMUJFWSA-N 461.469 5.955 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(OC)c2)cc1 23603542 STYNSJYPEJKDQU-UHFFFAOYSA-O 450.628 5.882 30 20 JKED CCOc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 24393866 NOIAUYGRGCTDAW-NTKDMRAZSA-N 483.568 5.162 30 20 JKED Cc1cc(S[C@H](C)C(=O)OCc2cc(-c3ccco3)on2)n2c(nc3ccccc32)c1C#N 27315293 WCCKGEOFHLFVHA-OAHLLOKOSA-N 458.499 5.140 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCO[C@@H](c2ccc(F)cc2)C1 29117418 CHEJVAUPRWTQKX-GOSISDBHSA-N 487.375 5.263 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1ccco1 29991164 YXQSYCNLABIBOF-JOCHJYFZSA-N 464.978 5.375 30 20 JKED CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nnc1-c1ccccc1C 108735113 AUJIJZSQDWPQKG-UHFFFAOYSA-N 499.615 5.605 30 20 JKED C=CCN(CC(=O)Nc1c(Br)cc(C)cc1Br)Cc1cccc(C#N)c1 109373711 FUVPZMHEMCLERZ-UHFFFAOYSA-N 477.200 5.018 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1 195556887 PBNGRASDMFZJDO-MRXNPFEDSA-N 454.964 5.572 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1 195630612 HJIGGTXGZCXOMG-QFIPXVFZSA-N 486.399 5.051 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 206745650 DBYAYZDBHYJRJQ-VLGSPTGOSA-N 495.560 5.726 30 20 JKED CSc1nccn1-c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 303217420 TYWGOSUPPLMQMX-UHFFFAOYSA-N 454.555 5.606 30 20 JKED N#C[C@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc2cc(Cl)ccc2s1 481878423 DZAQXOGAERAHDD-OAHLLOKOSA-N 463.868 5.585 30 20 JKED COc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2ccccc2)cc1Br 485281458 DNCJJGUFBKSHHU-MWTRTKDXSA-N 465.347 5.002 30 20 JKED N#C[C@@H](NC(=O)c1cc2cc(Br)cc(Br)c2o1)c1ccc(F)cc1 494551590 BHDIUUKSCCDLGW-CQSZACIVSA-N 452.077 5.092 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc(Br)ccc2OC(F)F)cc1 506307595 NKBVQNSBHAUKEY-UHFFFAOYSA-N 494.336 5.186 30 20 JKED C=CCN(C(=O)c1cnc(Sc2nccn2C)c(Cl)c1)c1nc(-c2ccccc2)cs1 508522332 QSEYLNBFYIUWKP-UHFFFAOYSA-N 468.007 5.576 30 20 JKED N#CCC[C@H](C#N)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1Cl 508534087 MWIFZZKPYSVXSO-CQSZACIVSA-N 487.810 5.396 30 20 JKED C=CCn1c(SC[C@@H](O)COc2ccc(C(C)=O)cc2)nc2cc(-c3ccccc3)sc2c1=O 508563637 LHUWGIKAXYFHIR-FQEVSTJZSA-N 492.622 5.046 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 509019519 YHVNDUWQGRPITC-UHFFFAOYSA-N 495.308 5.269 30 20 JKED CC1(C)CN([C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccc(Cl)cc2)CCO1 509531414 CXRNFWFOADVSED-QFIPXVFZSA-N 455.002 5.115 30 20 JKED N#Cc1cccc(CNC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)c1 509840430 QJOOAYYATYGNFU-UHFFFAOYSA-N 477.952 5.007 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 510005448 MZMSJQIRCZRZSF-NOZRDPDXSA-N 475.976 6.382 30 20 JKED C[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 510158841 DFUKUNYOIVMIKS-INIZCTEOSA-N 499.065 5.266 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3Cc3cccc(F)c3)s2)cc1 510213579 QTSVTGGAAVPUPH-LJQANCHMSA-N 453.568 5.080 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(Cc4cccc(F)c4)CC3)s2)cc1 510214145 RRJPJFFNBNMUHH-UHFFFAOYSA-N 467.595 5.328 30 20 JKED CN(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1Cl 511431795 KCIFUBRXTVTPEE-XUZZJYLKSA-N 495.410 5.006 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 511781264 LVMNLBBBQCEFNX-RUZDIDTESA-N 453.542 5.289 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc(Cl)c1OCC(C)C 513656068 XHUKZLUGOVLOSE-OAHLLOKOSA-N 485.993 5.463 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)oc2c1ccc1ccccc12 513695742 LECTYTCOEMCUSB-SFHVURJKSA-N 453.523 5.974 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)CC1 513912540 DZWNDBFOSSVWBJ-UHFFFAOYSA-N 486.597 5.225 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)s2)cc1 515101505 FSEJOWSSTMEOPI-GOSISDBHSA-N 459.600 5.627 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 515690655 GDHAZAVHXUXLNB-UHFFFAOYSA-N 462.534 5.297 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 516269933 FNOSJWIWGOSKFM-OAHLLOKOSA-N 463.833 5.680 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1 516713634 DDWILUNEXCJQPG-HXUWFJFHSA-N 450.479 5.216 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)nnc2-c2ccccc2)cc1 518128029 NBSPSHXQYWBZNV-FQEVSTJZSA-N 499.665 6.225 30 20 JKED O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)c1ccc(C(F)(F)F)nc1O 520449213 YYSVGHQPBTYGIS-UHFFFAOYSA-N 460.305 6.009 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 520575814 HUXMDADBMMNNRB-UHFFFAOYSA-N 480.597 5.148 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520602041 PTAWICNWWGNFCS-UHFFFAOYSA-N 469.520 5.976 30 20 JKED CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 520843395 SLNXQUJTRFYIHI-UHFFFAOYSA-N 463.525 5.432 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc(C)nc21 522489033 HIHQSMVGWJHASQ-SUMWQHHRSA-N 484.412 6.631 30 20 JKED CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccc1Cl 524406254 RPMAMPICAGVSGA-UHFFFAOYSA-N 490.368 5.068 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 603527720 XNJJKSLYGWHCRK-VWLOTQADSA-N 459.977 5.510 30 20 JKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccc(F)cc1 603717274 VLTYNZYMFKEZSR-OAQYLSRUSA-N 460.509 5.117 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604089713 IRHYPXUAQCPXBE-UHFFFAOYSA-N 473.964 5.471 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCC3(c4cccc(Cl)c4)CCOCC3)cn2)c1 604316270 VBJVSALOBLKFOY-UHFFFAOYSA-N 462.937 5.269 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCC(=O)Nc1ccc(CC#N)cc1 604448356 UACXIDILXIEKEG-UHFFFAOYSA-N 466.463 5.383 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cs1 609061604 FFIOEWWYRNZGLE-UHFFFAOYSA-N 469.566 6.042 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cnn(-c2ccccc2)c1 609078476 SOCNUHCBFCGQCW-UHFFFAOYSA-N 451.530 5.295 30 20 JKED N#C[C@@H](C(=O)c1cc(I)cc(C(F)(F)F)c1)c1ccc2ccccc2n1 609090103 YWMIDQBLIJTCIG-OAHLLOKOSA-N 466.200 5.348 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609438746 WIHLMIPWFHNXIH-UHFFFAOYSA-N 478.346 5.100 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)n2)cc1 642281064 GBOYUFDMHVXJSE-HXUWFJFHSA-N 454.555 5.045 30 20 JKED N#C[C@H](C(=O)c1ccc(Cn2cncn2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281332 ABXLXDZRNKKEMG-QGZVFWFLSA-N 454.342 5.247 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N([C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726394573 VUFDJHCQAVCKEE-PZJWPPBQSA-N 493.551 5.179 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H](C)c1ccccn1)c1cccs1 726421591 OCLMJGMTJCQWCQ-URSBWBDFSA-N 499.061 5.948 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1Cl 726892325 SWMAEERPNVADTN-OPAMFIHVSA-N 495.004 5.465 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC1CCCC1 728687783 MJPQRFAABLAHDU-VWLOTQADSA-N 455.558 5.994 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCCCC#N)C2=O)cc1Cl 728777809 PCYUVVOVTNOIGV-HXUWFJFHSA-N 472.973 5.442 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3scnc3C)C2=O)c1 729142208 HMOYQFRMSOBOKE-NRFANRHFSA-N 494.642 5.237 30 20 JKED N#C[C@H](C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 729187330 ZXWRDKBDRQTUDA-ZBFHGGJFSA-N 495.935 5.360 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1 729562481 XUDHOEKOSUIUOC-UPVQGACJSA-N 496.652 5.144 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)cc1Cl 730462343 MZVONQSILDAGOQ-IBGZPJMESA-N 474.920 5.003 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2Cc2cocn2)c1 730725299 RWYHEWXLGGMNGO-FQEVSTJZSA-N 499.379 5.123 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(I)c1 730919471 DIHBAFWCHHTQGP-HNNXBMFYSA-N 488.306 5.106 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 730952894 YJPGINDVOHRJSI-CQSZACIVSA-N 458.659 5.646 30 20 JKED Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(Br)c1 731066689 FIGTZTLPOJQRGN-ZNFPLGDCSA-N 473.392 5.347 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(Cl)cc2)s1 731305194 IXCIAFORTUUJQM-HXUWFJFHSA-N 486.018 5.576 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CC(F)(F)F)cc1 731308012 KTBVVGGEVMCTJD-SFHVURJKSA-N 465.497 5.038 30 20 JKED C[C@@H]1CCCC[C@H]1OCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310432 IAUNRYPAVOJNLK-NLSFWIRASA-N 499.608 5.087 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc3cccnc23)C1=O)Nc1ccccc1 744997063 LEBDMKWEXHDMSK-HSZRJFAPSA-N 466.566 5.395 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 745627049 XGLMZWARYOPNFA-XFFZJAGNSA-N 474.469 5.035 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3SCC#N)s2)c(C)c1 746596098 BQDMJILMQFBSKB-UHFFFAOYSA-N 451.573 5.147 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(Cc2cc(Br)ccc2F)C2CC2)c1=S 746710866 ZSTDLQJCAPIFGQ-UHFFFAOYSA-N 474.403 5.186 30 20 JKED COc1cc(C(=O)/C=C/c2c(Cl)nc(Cl)n2-c2ccccc2)ccc1S(=O)(=O)C(F)F 747066055 IXKNPXISWQOZDM-CMDGGOBGSA-N 487.311 5.080 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2)n1 749048893 QDPWLFXNRRNGAE-XMMPIXPASA-N 464.525 5.302 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 749361863 VRULUQUEYWCZKL-UHFFFAOYSA-N 462.962 5.053 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cc1C 752931525 XBKVDBKLHKHJIC-UHFFFAOYSA-N 495.052 5.177 30 20 JKED O=C(/C=C\c1csc(-c2ccc(F)cc2)n1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 797093585 UONKXOJSZSOYBA-RAXLEYEMSA-N 456.564 5.020 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1cccnc1 837285516 OQIIIONJTJYYLT-GCJKJVERSA-N 476.577 5.559 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N([C@H](C)c3ccccn3)C2=O)c1 837299859 OXHGUSTYAWCPII-BWKNWUBXSA-N 486.641 6.037 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 837743555 DCDOKPAPRWSQGV-VFNWGFHPSA-N 466.513 5.081 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNc2nnc(-c3ccccc3)n2-c2ccccc2)cs1 915051409 SVAXRZOSEHLRCB-UHFFFAOYSA-N 479.569 5.521 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CC3CCC3)C2=O)c1 915116004 BYKKDWPPXHLFQO-NRFANRHFSA-N 488.009 5.118 30 20 JKED Cc1sc(=O)n(CC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1-c1ccc(F)cc1 915619495 MAGLOCSJWXMJAT-STQMWFEESA-N 484.437 5.050 30 20 JKED COc1cccc([C@@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(F)cc3)=C2C(C)=O)c1OC 916159399 SBCJAGBHJXQFNO-DEOSSOPVSA-N 460.505 5.110 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CC1 916206745 VESVZCHOFGYOFR-SFHVURJKSA-N 493.372 5.333 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(OC)c1 916206866 UAFDXILFJBRNPB-GOSISDBHSA-N 465.497 5.084 30 20 JKED COc1cc(C=NNc2ccc3ccccc3n2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916285960 RUKQZIDNIQXXPA-UHFFFAOYSA-N 494.473 5.726 30 20 JKED CC(=O)N(c1nc(COC(=O)CSc2nc(C)c(C)c(C)c2C#N)cs1)c1cccc(C)c1C 916538158 HAOMLAVDDTZWQI-UHFFFAOYSA-N 494.642 5.472 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907808 XRVRIUBQOWXHPE-HTAPYJJXSA-N 473.554 5.265 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 916956095 XSRGLSVKRREXOG-NYDSKATKSA-N 465.981 5.053 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2n1C(F)F 917043864 PREDRPZGMKBRHL-OPAMFIHVSA-N 496.311 6.190 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1cccs1 917045842 AXQGNHVKDLXKKX-LBPRGKRZSA-N 460.009 5.258 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2ccc(C#N)cc2)C1=O 917660337 BGIOPHDPJYYSGT-VWLOTQADSA-N 498.608 5.344 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)cn1 917675283 ITUFLDMQRIBUAL-QFIPXVFZSA-N 474.586 5.029 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1Cl 917702232 DCZDMPZFSTZXEP-QFIPXVFZSA-N 492.963 5.511 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 920143108 TZPJEZVMAVMORJ-DNQXCXABSA-N 476.561 5.419 30 20 JKED C[C@@H](OC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C#N)c1 920674527 ZBGHOOGHYKONSH-HUUCEWRRSA-N 469.950 5.059 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1C 920892246 KCFFLEXXDWDQBG-QGZVFWFLSA-N 484.478 5.283 30 20 JKED N#CCCn1cc(C(=O)OCc2nc3ccccc3c3ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 920905411 PTAUGEVZGHIXIR-UHFFFAOYSA-N 477.480 5.430 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786183397 CFUZHFYHUCAWQP-SFTDATJTSA-N 483.653 5.370 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccsc3)cc2)CCC1 1786941346 MCDFHFWCUJSMMB-SYZXBLONSA-N 495.645 5.365 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ccn4)CCC3)cc2)c(O)n1 1787172900 FGDNKPUXAHPUIL-UHFFFAOYSA-N 476.964 5.016 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)CCC1)c1ccc(O)cc1 1788952977 ONKLGAMUILTUEI-NRFANRHFSA-N 492.579 5.213 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCCC3(F)F)cc2)CCC1 1789163913 TWONZLBHTPBNDA-HSZRJFAPSA-N 452.517 5.021 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)cc2)CCC1 1789228478 CAIZKORYVWYQIO-OAQYLSRUSA-N 457.546 5.148 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1789514173 JXDCJLAIFSLPQN-VUTHCHCSSA-N 487.629 5.030 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-n4cccn4)nc3)cc2)CCC1 1789843059 TVFXQOZFEWPHAO-UHFFFAOYSA-N 499.691 5.066 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)COc4cccc(Cl)c4)CCC3)cc2)ccc1F 1790521671 UVMBKZHYIKDOPK-UHFFFAOYSA-N 491.950 5.106 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)/C=C\C=C\C)cc2)CCC1)NC(=O)OC(C)(C)C 1791243859 DALBZJRNKBFZIO-QPAQNOOCSA-N 467.610 5.112 30 20 JKED Cc1ccc(-c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(OC(C)C)c(C#N)c3)C4)c[nH]2)cc1 1794590808 JPMUQPYSRXYRMU-OOSCYNTBSA-N 496.611 5.215 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1)C2 1798339959 IOAXPIFHDKPJFS-ZFFYZDHPSA-N 495.664 5.074 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cc(Cl)ccc2Cl)C3)c1Cl 1799305916 VBFHEEVEFRDJSF-REPLKXPHSA-N 490.818 5.403 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCCC(=O)OC(C)(C)C)c1 1800209152 NOTUJGDXAPHCMY-OXCBMLQPSA-N 495.664 5.248 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)cc1 1800539806 WZFBFBHFDYGRNM-SIEFKWOESA-N 490.047 5.632 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800740660 DRNTWZSDQJAHDD-CODKJTEISA-N 493.576 5.071 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(CCCCC)s1)C2)c1ccc(O)cc1 1802428232 FQJFIXOELJITMO-BXXSPATCSA-N 493.673 5.030 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1802502680 LEOJOCLPZNRVTB-VGSWGCGISA-N 475.967 5.325 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1802504239 XBDCESSUDRKIEA-NFBKMPQASA-N 479.621 5.747 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCC(C)(C)C)C3)cc1C#N 1803845784 VSSCSIVIJCLXDH-BKFWDETESA-N 467.654 5.594 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1 1805937191 AGSXUEJCYTTWKX-FQEVSTJZSA-N 495.586 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1808710092 YCDLXXKHDSJZNL-WIYYLYMNSA-N 477.527 5.314 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1810170910 ADECBIFVBKSJNS-PIBDYAPNSA-N 477.008 5.304 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810717889 DZOJIQYWLAXJIZ-RZFJZAQRSA-N 489.641 5.148 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1)C(F)(F)F 1810724821 ABAXNRALKNJPDI-XUZZJYLKSA-N 495.501 5.312 30 20 JKED C[C@H](CC(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1)c1ccccc1 1811419915 JMHNJVKRXIANAT-VQEMNGCCSA-N 487.003 5.120 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1811820246 UXDPEBPROKAKPO-RCZVLFRGSA-N 482.100 5.106 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1812672301 VVUOIIQNHOINGF-XMSQKQJNSA-N 496.385 5.238 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813056511 USYDZZHGXJOHNP-NBGIEHNGSA-N 494.517 5.058 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)[nH]n1 1814829201 BAXMEPZAAVAOSG-DEOSSOPVSA-N 479.600 5.223 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1815659215 MFXQEVIRGTVLIO-QGZVFWFLSA-N 486.947 5.307 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)sc2C1 1816933736 STHPRVHWGLIKIZ-GFCCVEGCSA-N 478.952 5.023 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)c3ccccc3c2)n[nH]1 1817964122 QLPBTPUQENHFTE-HXUWFJFHSA-N 494.393 5.181 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818451078 SYWUXEHJULGMTF-AREMUKBSSA-N 477.568 5.373 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccs2)[nH]n1 1819384171 FTNBOEFXTANASV-OAQYLSRUSA-N 470.715 5.147 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819384711 XYWMXMOACNUYQR-HXUWFJFHSA-N 486.092 5.124 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CC3(CCC3)C2)[nH]n1 1819386259 FKFFHYCSUUZVHW-OAQYLSRUSA-N 454.691 5.033 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1)C(F)(F)F 1820231981 FYRAHTKQVBVXSY-MRXNPFEDSA-N 466.847 5.234 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3CSc3ccccc3)n[nH]2)CC1 1821263583 VKXVEKMSCVKVCS-QHCPKHFHSA-N 485.613 5.312 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)[nH]n2)c1 1821327535 MZLLVZBCHNEJNJ-NXGPHGMSSA-N 479.584 5.018 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821429468 WTCGIUHYAOVWCO-YCRPNKLZSA-N 451.958 5.129 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1)c1ccc(O)cc1 1822469347 HKIBGMQFZRNRCN-YKSBVNFPSA-N 496.567 5.365 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)[nH]n1 1822584300 IBYLODGBIIUWBH-ONTIZHBOSA-N 452.986 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(SC)cc2)n[nH]1 1822591531 IODLQLDRDBIQKR-QFIPXVFZSA-N 452.624 5.135 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)sc2c1 1823210793 GBOGZFMMAXGXDE-VGSWGCGISA-N 498.612 5.575 30 20 JKED COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c(Cl)c1 1823247558 IAVLFIRRYSBANM-HXUWFJFHSA-N 498.370 5.216 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]n2)cc1C#N 1823292626 RERWUUJXXJKQIG-QFIPXVFZSA-N 491.979 5.342 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823676280 MJPIWYLEVSENKK-DHLKQENFSA-N 468.041 5.823 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(F)(F)F)nc4ccccc34)CC2)C1 1823700169 HNZIECDNNUDIQA-QHCPKHFHSA-N 485.550 5.453 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)ccc3NC(=O)OC(C)(C)C)CC2)C1 1823701227 DCBKXJJGSYOTMY-VWLOTQADSA-N 495.664 5.542 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c1Cl 1824037611 FWJYECCYXIJWKP-SDHOMARFSA-N 494.010 5.388 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1824141948 ATAGVRBMGLUKMU-SANMLTNESA-N 499.659 5.331 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)CC1 1824146740 KYRRASIXFAHQQF-RCZVLFRGSA-N 465.613 5.169 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1)c1ccc(O)cc1 1824354909 RHCKAPLXYKVYEP-AHKZPQOWSA-N 464.650 5.089 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc5c4oc4ccccc45)sc3C2)C1 1824417977 OGDZEQJWLRLEID-INIZCTEOSA-N 457.555 5.235 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1824861979 PYJVGXSMYVUBPC-RWPDHJIBSA-N 490.619 5.220 30 20 JKED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)CC2 1826051825 KWQUUCRKJGQVBZ-HXUWFJFHSA-N 468.582 5.160 30 20 JKED O=C(Cc1ccc(F)c(C(F)(F)F)c1)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826673631 UROUULNSYSODNI-LJQANCHMSA-N 496.467 5.349 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826780017 BQHQRQZYKRKYHB-GDWZEYGFSA-N 491.720 5.977 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1827517802 PSKFAGDZBOXCDD-KDYSTLNUSA-N 499.655 5.574 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Br)c4ccccc4c3)CC2)C1 1827533704 OJPPDWGYDAZLBH-VWLOTQADSA-N 495.461 5.802 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccc(Br)cc4n3)CC2)C1 1828701284 FGGPTYIBWUIJQM-XMMPIXPASA-N 496.449 5.197 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)C)nn2CC)CC1 1828826900 FDSSIZHTUDUVOX-ISKFKSNPSA-N 454.659 5.028 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1828827396 WRAOBWFSKOEXSZ-RSXGOPAZSA-N 499.655 6.430 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1Cl 1829690111 LDOXUZTVPUSYSN-HXUWFJFHSA-N 492.929 5.106 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)CC2)cc1C#N 1830100083 WHDWXBRBUDVOTC-RUZDIDTESA-N 495.570 5.171 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(CCCCC)c2)CC1 1830168808 FBZFLEADRCETLP-HHHXNRCGSA-N 496.692 5.091 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1830680032 KOQHQGBLCGCGSA-RUZDIDTESA-N 483.616 5.013 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830715670 JMUSULFGHCHXNZ-NRFANRHFSA-N 491.485 5.165 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)c(Cl)c1 1830721304 BIEULUPMULDNER-XMMPIXPASA-N 474.992 5.240 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830781102 LWRLYQUTHXXGJM-JTSKRJEESA-N 467.437 5.126 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@H](C)S)CC3)ccc21 1831844074 PSBQSEISSQZEAD-CYFREDJKSA-N 477.674 5.366 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1832633745 NJZBPPQVCGHXPC-FNZWTVRRSA-N 461.581 5.308 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1832679444 ROQZBRJQFPVWKF-JWQCQUIFSA-N 460.622 5.078 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(C(F)(F)F)c(F)c1Cl)C2 1844202825 DQRNHEQDZHGTEL-CQSZACIVSA-N 458.883 5.083 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2ccc(C4CCCCC4)c(C(F)(F)F)c2)C3)c1 1844796326 IPCQPGJHTXDQRC-UHFFFAOYSA-N 484.522 5.084 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)C2)c1 1845883875 GTTJGSNCVGTURZ-MOPGFXCFSA-N 483.534 5.039 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CC4(CCCN4C(=O)c4cccc([C@@H](C)C#N)c4)C3)c2c1 1846827414 HZBHTFPZEKSATH-FQEVSTJZSA-N 499.611 5.398 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1C 9802277 KDFAEYUTQNNVGV-UHFFFAOYSA-N 482.613 5.294 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10174898 BDPDHWRWVXVHGX-UHFFFAOYSA-O 479.669 6.741 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1ccc2c(c1)CCC2 10179340 AYGOKZYGEZOLHN-UHFFFAOYSA-O 458.390 5.526 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc(C#N)c2)NC(=O)N1CCC(C)C 10354011 MPZBOSCRFAYKAD-QFIPXVFZSA-N 470.495 5.602 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cc(C)ccc1C 10360346 PJXJBPSGSDVQEZ-SANMLTNESA-N 466.610 5.832 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccc(F)c(Cl)c1 10754793 ASQSSAUINRGJDQ-UHFFFAOYSA-O 458.922 5.288 30 20 JKED CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SC[C@@H](C#N)CCC#N)nnc23)cc1 15239584 BONSBERNCWJYEA-QZTJIDSGSA-N 456.575 5.083 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 22622951 FZXXTAIDYRQAMD-UHFFFAOYSA-N 489.915 5.344 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1[N+](=O)[O-] 22730115 CSLLGJMFDIFYRQ-UHFFFAOYSA-O 482.585 5.832 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(C2CC2)n1-c1cccc(NC(C)=O)c1 26137527 GMFCWTPVCIVGGK-UHFFFAOYSA-N 479.631 5.112 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccccc1 28786244 QAODVHBYWUZENG-NRFANRHFSA-N 497.624 5.294 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)Sc2ccc(C(F)(F)F)cc21 108302375 POIUSZDIYJGSDN-CYBMUJFWSA-N 473.524 5.087 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 487994597 SVMZIHOWFATVBD-UHFFFAOYSA-N 490.585 5.239 30 20 JKED Cc1nc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2cc(-c3ccccc3)sc2n1 502283031 ACELBNPFOUUYNZ-UHFFFAOYSA-N 453.571 5.394 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1Cl 502594014 JKFJWJPXIKTPNC-LBPRGKRZSA-N 483.371 5.686 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 504762293 MMODDCHKINYNPU-KSFYIVLOSA-N 458.949 5.763 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(CN3CCSCC3)cc2)cc1 508976661 FGECPDDSFGEUHQ-UHFFFAOYSA-N 459.590 5.089 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@@H](C#N)c1nc2ccccc2s1 513672416 RITDLROYVULQOW-MRXNPFEDSA-N 451.349 5.351 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccc(F)cc1 514898253 SQADKNYNQZTSGV-UHFFFAOYSA-N 466.626 6.638 30 20 JKED CSc1ccc(N2C[C@@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2=O)cc1 515650576 CCNNLAFEBCDZQH-NRFANRHFSA-N 471.582 5.045 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1nc(-c2ccccc2)cs1 516462255 QRNWXEQHGQBJSP-GOSISDBHSA-N 472.536 5.660 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 517188103 OCCAQUVWAMXEQY-UHFFFAOYSA-N 466.368 5.639 30 20 JKED C=CCN(C(=O)C[C@H](C)Cc1ccccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 518600453 BTYYBZHKHNEJRY-QGZVFWFLSA-N 451.548 5.515 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)s2)cs1 518748350 MVHBFKBROMCSCN-UHFFFAOYSA-N 488.594 5.141 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 520193468 RFBJIRFOOASQSI-WZONZLPQSA-N 478.017 5.773 30 20 JKED C=CCN(C(=O)c1ccc(-c2nc3ccccc3s2)s1)[C@H](C)c1cccc(-n2cnnn2)c1 521790613 WDMYFCYCUFFMQL-MRXNPFEDSA-N 472.599 5.390 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524388105 JKNUJJZAJVDOPO-UHFFFAOYSA-N 463.493 5.742 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ncon3)cc2)c1 588828819 BRZQRYZEPZXLHG-UHFFFAOYSA-N 494.960 5.024 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591037153 DCUSFEOCYDHAHY-IACUBPJLSA-N 483.453 6.091 30 20 JKED COc1cc(OC)c(C2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c(OC)c1 591558739 LRPUQUJYTAFRES-KRWDZBQOSA-N 497.661 5.121 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)cc1 604100746 OPWKPPZIUXRXPN-UHFFFAOYSA-N 498.564 5.416 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 604490666 OAAJVZLQHNXXLP-NDEPHWFRSA-N 469.610 5.344 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 608938742 VKWJZCHOCPGAJL-UHFFFAOYSA-N 498.602 5.190 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c2)cs1 609065105 WZBCTKGVOFDGPL-UHFFFAOYSA-N 455.539 5.734 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1 609072336 JKSDFQJKOURNOQ-UHFFFAOYSA-N 467.403 5.564 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 609078622 CZPYAYQNSVNCFU-ZRZAMGCNSA-N 498.627 5.377 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1 609080818 VFWZHQILFNUSAO-UHFFFAOYSA-N 465.937 5.472 30 20 JKED CC[C@@H](CNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 609085307 MNJQNMCUEDATGN-FQEVSTJZSA-N 461.949 5.039 30 20 JKED CCOc1cc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c(OCC)cc1NC(=O)c1ccccc1 609094654 XHVCETWZKDTZRX-VWLOTQADSA-N 498.583 5.215 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1OC(F)F 609386985 CAECWDSNAXSTQW-LBPRGKRZSA-N 459.440 5.752 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(Cl)cc1Cl 609387171 RCPMPOYFSMSHOY-LLVKDONJSA-N 462.324 6.457 30 20 JKED CCOc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)ccc1OCc1cccnc1 609414708 LRUBWMACSGTHPP-LJQANCHMSA-N 456.329 5.361 30 20 JKED Cc1cc(CN(C)C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc(C)c1OCC(F)(F)F 609438622 OYZFHIAXRXQZFD-QGZVFWFLSA-N 493.551 5.236 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OCC)c1OCC 612894740 NBKFHAIDPKWPJK-LJQANCHMSA-N 450.560 5.805 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320338 WQURECGCXFLUBK-GOSISDBHSA-N 470.019 5.570 30 20 JKED O=C(Nc1ccccc1SCC(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642476926 ZJHFTJLHMAZENJ-NXEZZACHSA-N 468.385 6.372 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(NCc3ccc(F)cc3)s2)c2ccccc21 677363346 HNPYQUCBQOHYQK-UHFFFAOYSA-N 451.552 5.133 30 20 JKED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CC2)C1=O)Nc1cc(Cl)c(Cl)cc1Cl 726107231 ANGZZXNGPKNRII-BLWNTKICSA-N 497.835 5.076 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cscn1)c1cccs1 726421379 MSHZJCLMFCYLSQ-FMBXWJSJSA-N 492.598 5.073 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC1CCC1)c1cccs1 726421754 PJRSVYUWFJJGHN-XDDRMFMYSA-N 495.592 5.957 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1=S 726592360 YEAWQEQNPHJALB-LJQANCHMSA-N 494.024 5.203 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc(Cl)c1OC 726626488 HJLYVCTZPDWWHT-FRKPEAEDSA-N 451.356 5.288 30 20 JKED COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccc(OCCCC#N)c3)s2)cc1 726743711 OFFLCHFHCUYJDB-RGEXLXHISA-N 454.939 5.218 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 727628436 LOSNTLOUHVMPND-AWEZNQCLSA-N 458.383 6.023 30 20 JKED CCC(C)(C)C1C/C(=C/c2nccn2CC(F)(F)F)C(=O)/C(=C/c2nccn2CC(F)(F)F)C1 728695216 SIEAZMYCMXULGB-UKVBVZPVSA-N 488.476 6.087 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1C 728777006 HSEWHGGAJJPHGS-NRFANRHFSA-N 470.545 5.236 30 20 JKED C[C@H](CC#N)N(C)Cn1nc(COc2ccccc2F)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1=S 728902139 INWPRCFBOIZVAS-SLHNCBLASA-N 457.619 5.321 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3scnc3C)C2=O)c1 729144888 ZXDDOGIVSHLGMF-FQEVSTJZSA-N 494.642 5.237 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)c(F)c1 730535530 QFZKJNUJWGOGDE-FQEVSTJZSA-N 477.989 5.093 30 20 JKED N#C[C@@H](C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1nc(-c2ccccc2)cs1 730686258 FKTKJOLITKCDCV-YJBOKZPZSA-N 499.379 5.198 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3cccnc3)C2=O)c1 730942285 LKKPDJHYJCOPOP-FDDCHVKYSA-N 476.577 5.559 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)OCc2csc(-c3ccoc3)n2)c1 731060104 GYLMYQZICQPZBB-UHFFFAOYSA-N 475.551 5.363 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(F)cc1 731063417 MFCDSBGZZJMJOX-KRWDZBQOSA-N 476.529 5.104 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1N(C)C(=O)c1cccs1 731065981 ITVYSXUTQRPPKU-QGZVFWFLSA-N 493.610 5.214 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2)o1 731306253 UMYRKDLXPNYWBE-NRFANRHFSA-N 483.977 5.150 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)c(F)c2)cc1 731308530 LRDGDICFHFWENU-HSZRJFAPSA-N 493.560 5.009 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cccs2)cc1 731405917 RUAMGSBNIQHQHV-CLOONOSVSA-N 491.682 6.185 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 732526693 PZJMZZCXDYDCKI-FQEVSTJZSA-N 451.646 5.390 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 732638439 WCXXDPMRLUWQGT-SFHVURJKSA-N 492.959 5.230 30 20 JKED COc1cc(/C=C2/CN(C(C)(C)C)C/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 747066398 JVCRZGJMAWQWOO-DQCYIKBWSA-N 492.399 5.572 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O 747601527 VPHPLLRMZUXIOO-LJQANCHMSA-N 471.007 5.265 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1)c1ccccc1 749190596 KQEGKJHUVZFHEC-IZLXSDGUSA-N 480.612 5.648 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 750692356 BIALAOVPQGUTHM-UNMCSNQZSA-N 492.620 5.489 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CC(F)(F)F)C2=O)c1 799214621 NFCFRGLPYJMMND-INIZCTEOSA-N 489.878 5.010 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(F)c1 799223089 MHXBILMXRNCGGY-MRXNPFEDSA-N 454.354 5.421 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCc2cccs2)C1=O)Nc1ccc(F)cc1F 837301612 APKKOGHUNUPAKH-FQEVSTJZSA-N 489.544 5.368 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 838285513 USLLWWZNVVPLAX-HXOBKFHXSA-N 476.577 5.505 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1cccs1 838487153 XZORCQRHSJBVAF-OAQYLSRUSA-N 483.590 5.099 30 20 JKED CCn1c(SCC(=O)Oc2c(Cl)cc(C#N)cc2OC)nnc1-c1ccc(Cl)cc1Cl 896774320 RDCRXAFFRFZTBA-UHFFFAOYSA-N 497.791 5.503 30 20 JKED CSCC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nnc2ccccn12 915353509 UYPAHMWRKXPTOC-FGZHOGPDSA-N 456.575 5.001 30 20 JKED FC(F)Oc1ccc(Cl)cc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 915958813 XZELGEUOOQFPJI-UHFFFAOYSA-N 479.723 5.590 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1Cl 916056563 FNVUSTNUYJWKKV-ILBGXUMGSA-N 457.961 5.629 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c1 916204326 CDZAETRICJSWAW-HSZRJFAPSA-N 494.567 5.180 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(CCc2ccccn2)C1=O)Nc1ccc(F)cc1 916209928 VHMKABBKTFFAHG-OAQYLSRUSA-N 482.968 5.077 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1Cl 916211670 NZTTXYPKLVNGTQ-FQEVSTJZSA-N 469.950 5.102 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2ccccn2)cc1 916213003 WEBAMWHJCVDNCD-NRFANRHFSA-N 498.530 5.569 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(C3CCCC3)C2=O)c1 916217245 IVBFYZSQFGWLBW-QFIPXVFZSA-N 481.618 5.224 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 916901491 JAWHRGFRPLTWLY-BOTMBNHJSA-N 471.262 5.690 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 916904248 ZDJNEXMAAUEZRV-OAQYLSRUSA-N 491.016 6.135 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907568 JQJNHYUYWNSTDD-NRFANRHFSA-N 497.580 5.062 30 20 JKED Cc1cccc(-n2ncc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2C)c1 916911019 UOYODTKHNNWVBV-QFIPXVFZSA-N 450.498 5.243 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 916912021 YYOUXUPZHNXNOG-FYYLOGMGSA-N 475.932 5.047 30 20 JKED COc1ccc2c(c1)C[C@H](C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CO2 916997298 VETFBPDMKUERLB-GUYCJALGSA-N 459.354 5.553 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c1=S 917461642 USBCFAHXTBFZAG-UHFFFAOYSA-N 488.991 5.751 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H]2c2ccc(Br)cc2)c1=S 917486192 FHVBHHIJLUFZFA-NRFANRHFSA-N 490.515 5.186 30 20 JKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917559890 OQZQNFBPZKAJAO-LFIBNONCSA-N 491.613 5.279 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)ccc1OC(=O)c1ccc(F)cc1 917644762 KGDOXLWJSIKRFW-LPYMAVHISA-N 490.537 5.331 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccc(C)n1 917686280 ZQJZETKYJGJWSX-HSZRJFAPSA-N 476.577 5.252 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2cc(Br)c(O)c(Br)c2)cc1 918155232 FILWBURAGFNQKH-BAQGIRSFSA-N 482.172 5.343 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)c1 920106040 JJWOSNLTGMXNGF-JOCHJYFZSA-N 486.549 5.066 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 920142500 KOLUUPKBASGJHW-MGPUTAFESA-N 469.975 5.151 30 20 JKED N#C[C@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1ccc(SC(F)F)cc1 920875118 PCHLHGXDZDYJAH-GOSISDBHSA-N 475.517 5.078 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 920981898 CNLNIGNBYLICGO-QHCPKHFHSA-N 489.597 5.143 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)N(CCC#N)c1ccccc1 921224443 PGSNANQZJKKRNN-CQSZACIVSA-N 474.369 5.609 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(NC(=O)c5ccco5)cc4)CCC3)cc2)C1 1785810131 ARKVLPALCZLKHA-UHFFFAOYSA-N 469.541 5.246 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5cccnc5)cc4)CCC3)cc2)cc1 1785882939 YNHXCLHQSQPPSG-UHFFFAOYSA-N 486.575 5.611 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1786391250 JQONMXZSUWVIJP-HXUWFJFHSA-N 474.051 5.652 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)COc3cccc4ccccc34)cc2)CCC1 1786677038 BHRKGOHHBRISQF-FQEVSTJZSA-N 473.573 5.154 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1 1786679284 YFSKSJLQNUSGCQ-UHFFFAOYSA-N 489.597 5.199 30 20 JKED Cc1sc(-c2ccccc2)nc1CC(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1786789536 NBIOOSGEXVLHPU-UHFFFAOYSA-N 458.587 5.099 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccn(C)c45)cc3)CCC2)c1 1789060600 HBUOTLDUJYFOFV-UHFFFAOYSA-N 478.552 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCC2)cc1 1789448630 FHTQQKZHBLQLAD-DENIHFKCSA-N 469.626 5.050 30 20 JKED CCCCCc1ncc(C(=O)NC2(c3ccc(NC(=O)/C=N/N4CCCCC4)cc3)CCC2)s1 1789514995 KWARFCCDMIDQAA-TURZUDJPSA-N 481.666 5.095 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnnc5ccccc45)CCC3)cc2)c1Cl 1790083920 QDIBMWUHSPRGNG-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C(=C)C(F)(F)F)CCC2)cc1 1790518995 BUVYCQPLIRUPIR-IBGZPJMESA-N 495.542 5.099 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)ON=C(C)C)cc3)CCC2)cc(C(F)(F)F)c1 1790568144 SUYODRKJQLTXFT-MRXNPFEDSA-N 491.510 5.263 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]4CC[C@H]3N4C(=O)OC(C)(C)C)CCC2)cc1 1791251872 WQBDVFSIXXEQFW-HGSOSGBHSA-N 481.637 5.121 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681566 XOZWMSUDXOTDNG-IBGZPJMESA-N 499.995 5.246 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)CCC2)cc1 1792268242 DHTKRRBEKDLWLR-UHFFFAOYSA-N 479.552 5.334 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1[C@@H]3CCC[C@H]1c1ccccc1N3)C2 1798417680 ZAPZVFPLYFSVSP-ZCDDETJPSA-N 491.752 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C 1800833993 UOTCNPHILDYKTD-WKCHPHFGSA-N 483.653 5.586 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803219886 HEORFTJQYNSAKK-UZWGSGPUSA-N 478.036 5.128 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1C(F)(F)F 1803867142 DJIZCBMEIZAXKF-REPLKXPHSA-N 482.594 5.147 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1804167811 GVTYBIOVUPDKHF-IEZKXTBUSA-N 486.081 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)ccc3F)CC2)C1 1805451373 HBTHOFCHYQEWNE-UHFFFAOYSA-N 477.418 5.201 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1805680373 ZYYVQGZYRGSJDK-DHLKQENFSA-N 463.622 5.369 30 20 JKED CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1)c1ccccc1 1806274031 RMXPRQWICMYPQR-UMFSSWHCSA-N 487.003 5.120 30 20 JKED Cc1ncsc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)C1 1808466323 ZCGPRYOOCNVLSJ-UHFFFAOYSA-N 483.637 5.010 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3sc4ccccc4c3Cl)[C@H]2c2cccnc2)C1 1809208773 CKHXMWMBGPRDCN-VGOFRKELSA-N 466.006 5.236 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809212100 JHNJBIACYQMKGO-RADWXHQJSA-N 499.036 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1810175450 RWFBPNPVGYZXSU-MBOZVWFJSA-N 478.445 5.538 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1810181594 JBRUUSUQWVWYML-FAHANXHHSA-N 488.607 5.109 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCNc2ccc(C)cc2C)[C@@H]1c1cccnc1 1810369122 IBOBSWYJLCIEFS-SQHAQQRYSA-N 476.665 5.199 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1810473562 QUXYHQJMOGMQIL-PTJQVGQKSA-N 485.603 5.343 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1810494266 FVGVXIKBNDGARC-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 1813226426 OZCGQKYQQHKXOC-FDDCHVKYSA-N 491.941 5.267 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1813820628 DMAXIBWVXQFSQR-URXFXBBRSA-N 451.998 5.131 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)[nH]n2)C1 1814396913 STCIWOJUUJRVHC-XMMPIXPASA-N 458.537 5.488 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[nH]n1 1814823642 AXXKPWVEUUDGDJ-YYDVJCTNSA-N 468.548 5.252 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1)c1ccccc1 1814931366 IUOBQOZDCSENBA-AZGAKELHSA-N 469.589 5.221 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1815247093 WBBKWKWXQPGGPF-YJBOKZPZSA-N 473.401 5.116 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1815573091 ZZXYRSGOSFSVFC-INIZCTEOSA-N 494.411 5.606 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1815654270 WINIFFMCDLPVGB-KRWDZBQOSA-N 475.039 5.503 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)n[nH]1 1816108614 CSJQJFHZQOMDAR-XMMPIXPASA-N 489.620 5.712 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n[nH]2)CCC1 1818165431 VQXZTLUNLDTVDJ-LJQANCHMSA-N 477.952 5.323 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)nc4ccccc34)n[nH]2)c1 1818604749 DWQUJOSSNXPUPU-HSZRJFAPSA-N 498.974 5.411 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)c(C)cc2OC)[nH]n1 1819309598 XQHZZNZPNRCRLP-KNQAVFIVSA-N 450.583 5.109 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3F)n[nH]2)c1 1820203212 FXBAOFGRSKUPGV-FYSMJZIKSA-N 484.535 5.277 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3Oc3ccccc3)n[nH]2)C1 1820434466 CFKUGFNSHZMHGT-QHCPKHFHSA-N 456.546 5.474 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)[nH]n2)c(Cl)c1 1821277491 AOHYRBODCPZSPR-NRFANRHFSA-N 473.920 5.301 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821569593 OPVOGXWRVQFCGR-QFIPXVFZSA-N 463.969 5.111 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1)c1ccccc1 1823210904 IDWNOSFPIDDHOX-QXWFJRNPSA-N 469.589 5.536 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)[nH]n2)c1 1823216127 OZKACQIBAQIWOA-BCHFMIIMSA-N 481.600 5.148 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)CC1 1823673054 QMJHBUCOSVPROG-PZJWPPBQSA-N 464.437 5.390 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1 1823751037 HWROLVPJMSUEQR-SANMLTNESA-N 461.650 5.389 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1824051876 TYWMOIRVWCSCEH-JRWCXLMHSA-N 491.582 5.102 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 1824138268 XQEWJLKNUUCOJK-PPJWLVRDSA-N 470.604 5.456 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1824138313 ZXAUSHNTGJQOTH-JOCHJYFZSA-N 489.056 5.359 30 20 JKED O=C(c1c(-c2ccccc2)cn2ccccc12)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824410965 DZGPCKQRYNSDKF-HHHXNRCGSA-N 479.624 5.253 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccoc3c2)CC1)c1ccccc1 1827499170 MGSRQLDQAAVNKQ-BDYUSTAISA-N 483.612 5.258 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2Cl)CC1)c1cccs1 1827683209 XRIMTQJMCJCECA-DKFQHHCZSA-N 477.051 5.135 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1 1828044973 WDEFTANXBMYYQO-SANMLTNESA-N 477.725 5.452 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828097346 RVSGQJFIEPBBQQ-HXUWFJFHSA-N 461.578 5.049 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)cc12 1828577796 CWXJHSPDSSBBEF-LTDXDOBXSA-N 489.641 5.210 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1828827547 OXRAPXPOLOSOFX-SZWZIBTBSA-N 489.660 5.578 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1 1828906269 DEVXCCMQZSUNGV-RUZDIDTESA-N 478.709 5.717 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1830414869 IWWPRIYLXYCNTK-BKMJKUGQSA-N 490.648 5.091 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cc4ccc(F)cc4)cc3)CC2)c1 1830458748 WLYWTZSKTAFQEM-NDEPHWFRSA-N 498.602 5.163 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc(C(F)(F)F)c1 1830755100 PXICUEQVAQQQTB-NFBKMPQASA-N 473.539 5.167 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 1830806186 OHOKDZMFRQQQJP-GOSISDBHSA-N 485.934 5.022 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1831373230 AGQRYSOTXAUGGX-DENIHFKCSA-N 451.636 5.256 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2OC(F)(F)F)CC1)C(F)(F)F 1831451214 OPXHUUKNXOQWOC-QGZVFWFLSA-N 496.423 5.076 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CCC1 1832490184 FPYSGBCQVVKDGI-QHCPKHFHSA-N 456.030 5.271 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1832585815 IVTKURLLIFLFNK-XMMPIXPASA-N 480.008 5.076 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)c1 1832630842 NUGWCDASRZXKGE-SIBVEZHUSA-N 479.571 5.068 30 20 JKED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 1846779804 JLVJFXHMGNYLAI-UHFFFAOYSA-N 494.460 5.526 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2F)C1 1846881769 LYCHAYCRBYDORN-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nnc1-c1ccccc1 9447048 ALIOVSUYDISGRI-UHFFFAOYSA-N 475.643 6.127 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1 11169260 TUOLFTLDKJERDJ-UHFFFAOYSA-O 475.996 6.408 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 14497852 LRTFUWTVGGLLHG-HDICACEKSA-N 474.586 5.102 30 20 JKED COCCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nc2ccccc21 16625314 KGMUNACUFQOKQB-UHFFFAOYSA-N 465.623 5.209 30 20 JKED Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)c1 16863123 OJYLNGJOFHBCKU-INIZCTEOSA-N 477.977 5.539 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccccc1OC 17709131 CPPQJNULEPWITK-XMMPIXPASA-N 490.654 5.508 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nc2sc3c(c2c1=O)CC[C@H](C)C3 18257008 WVPONICXHKBHEC-AWEZNQCLSA-N 480.615 5.120 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 23222368 SYGLHSJSRXFTSG-QGZVFWFLSA-N 498.674 5.164 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 29205040 PLFDTPMSSVVISF-URXFXBBRSA-N 474.586 5.097 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 31222838 QSEAAHTYORLAJR-MRXNPFEDSA-N 481.799 5.105 30 20 JKED N#CCc1ccc(NC(=O)CC23CC4CC(C2)CC(CC(=O)Nc2ccc(CC#N)cc2)(C4)C3)cc1 72045312 JHMGAFCJDQZKJW-UHFFFAOYSA-N 480.612 5.763 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1nc(-c2ccccc2)cs1 96305070 RREPUDJGYGXESM-YPKPFQOOSA-N 457.599 5.281 30 20 JKED O=C(NCc1ccccc1OC(F)F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 103454978 NEQKULAWTRTHJQ-UHFFFAOYSA-N 479.327 5.441 30 20 JKED Cc1nc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)sc1SCC#N 107915624 ITQKFEXMNPIRSD-UHFFFAOYSA-N 451.602 5.260 30 20 JKED C=CCn1c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)nnc1-c1ccccc1F 195569026 OFAQKCWMCAFEEY-UHFFFAOYSA-N 472.589 5.610 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c2ccccc21 255940986 GUXABXGULTYXQS-UHFFFAOYSA-N 453.527 5.371 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1Cl 303158051 UPGDLFRZHSBLAE-OWWUNANSSA-N 478.036 6.189 30 20 JKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 410014594 YEQQHPZBZPQDOQ-UHFFFAOYSA-N 454.530 5.774 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)ccc2c1 480945080 JULCWQLJJHZUOS-UHFFFAOYSA-N 497.526 5.035 30 20 JKED C=CCc1cc(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc(OC)c1OC 497342490 KNXIEQNHBHCQHK-UHFFFAOYSA-N 487.419 5.177 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(NC(=O)c2sccc2C#N)c1 497987673 YRMZSKLFDHNJBI-UHFFFAOYSA-N 469.588 5.003 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCSCc1ccccc1C#N 498797572 SKHXVRFQNLJPEP-UHFFFAOYSA-N 468.582 5.083 30 20 JKED N#Cc1c(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)sc2c1CCC2 502791014 ATRGANNLZXDQGU-UHFFFAOYSA-N 459.615 5.193 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCCc3coc(-c4ccc(F)cc4)n3)cc2F)c1 503490630 RXVJZUORSDMNIF-UHFFFAOYSA-N 474.467 5.435 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)[C@H](C#N)c4nc(C)cs4)sc3[nH]2)c1 503567940 SSKQFMYNBOOPER-HNNXBMFYSA-N 480.640 5.457 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 505182755 VRVGAXVJMNLRSU-CAPFRKAQSA-N 483.553 5.473 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)n2)cc1 510283908 RBKJMWYRCVZUGO-UHFFFAOYSA-N 468.513 5.679 30 20 JKED C[C@@H]1Oc2c(cccc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC1=O 511766034 ZTZDWFGMNZIMKD-HZMBPMFUSA-N 458.326 5.326 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccc(Cl)cc4)o3)c2C#N)C1 514768741 OPFGPEPZYULIEB-LBPRGKRZSA-N 458.996 5.569 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c(C(F)(F)F)c1 515653576 CEJQMGPOZDZPOW-UHFFFAOYSA-N 485.915 5.094 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)cs1 516747161 IXBOLVXDYPZPOR-QGZVFWFLSA-N 482.565 5.598 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 517277222 BCOUCAYSCKRCRO-KHCICDEESA-N 498.608 5.340 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)n1 517530458 RDOUNXPRJBNVCV-UHFFFAOYSA-N 453.502 5.327 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(Br)s2)cc1OCC 517538833 NMZCBVUYBBARLM-UHFFFAOYSA-N 461.219 5.526 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@H](C)c1cc2ccccc2o1 517793510 RFONEBPAIYFSAK-HXUWFJFHSA-N 481.552 5.822 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)c2)cc1 517843288 OQMLGYFQHJJDED-UHFFFAOYSA-N 465.962 5.556 30 20 JKED Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1C(F)(F)F 518033413 DEJSVIDQFQXAOG-UHFFFAOYSA-N 469.488 5.869 30 20 JKED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518155536 HCRCLNHKFXERSN-OIISXLGYSA-N 455.546 5.227 30 20 JKED C=CCN(C(=O)NCc1ccccc1-c1ccc(Cl)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 518239282 ACHONLVNZKYUOL-LJQANCHMSA-N 472.980 5.442 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 518240047 RUNWOJKXIRVTGH-SFHVURJKSA-N 477.611 5.085 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccncc1 518574834 HWIWIRKRLZYRCG-VWLOTQADSA-N 454.530 5.136 30 20 JKED C=CCN(C(=O)c1sc(-c2cccc(Cl)c2)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 519505471 XDQULQPDAPEEBP-MRXNPFEDSA-N 464.982 5.137 30 20 JKED Cc1nc(NC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)sc1SCC#N 520634787 LKXFRQDJDWBBKO-UHFFFAOYSA-N 469.588 6.497 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 520855615 URAKFEAGLWZIGA-OAHLLOKOSA-N 471.051 6.613 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 521293364 NUNPJWGSURGJMP-HXUWFJFHSA-N 483.996 6.394 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1Cl 521513198 IQSVYJGYLUVKRT-AZGAKELHSA-N 471.988 5.982 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 523163071 ABWFUGUUIQLYOT-UHFFFAOYSA-N 484.325 5.532 30 20 JKED CCc1c(C)sc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c1C#N 524330475 NEJIOIYHOKCUSQ-UHFFFAOYSA-N 474.007 5.221 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 588275144 WIZHHNZMLRBIMM-GOSISDBHSA-N 488.897 5.350 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1 588348873 CBOYUVFYRGQVDI-MRXNPFEDSA-N 461.524 5.161 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603758548 MSLLQLMYZFEELO-UHFFFAOYSA-N 498.534 5.013 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)s2)cc1OC 603995333 DOFSZODJDZYPJI-UHFFFAOYSA-N 498.564 5.512 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)cc1 604130309 XOVXSNGOGQPPAD-DEOSSOPVSA-N 460.578 5.660 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604225395 GARILEWEXQUQKN-UHFFFAOYSA-N 469.328 5.040 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)N(C)c4cccc(C#N)c4)sc3[nH]2)c1 604440213 AQLPEUHBSSOURA-UHFFFAOYSA-N 474.611 5.350 30 20 JKED Cc1ccccc1C1(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CC1 608826000 WQYWRCBMBVHAAP-UHFFFAOYSA-N 455.583 5.059 30 20 JKED N#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1ccc(OCc2ccccc2)cc1 609172631 ABSCCZGOMKCMIM-ATIYNZHBSA-N 486.547 5.030 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 609403134 VTQLRIVCIUDBDI-CQSZACIVSA-N 469.408 5.772 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609437406 UDMJGPJWXDAPCP-IGQOVBAYSA-N 481.462 5.045 30 20 JKED O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 612805777 QBDXPWDCLHFYPZ-CHWSQXEVSA-N 498.443 5.031 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(CC)cc2)c2cccs2)nc2sccc2c1=O 613908289 VWXBBBZKSKYXSS-NRFANRHFSA-N 481.668 5.266 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1cccnc1 613991909 RWBFJJGYFFSUTJ-LJQANCHMSA-N 474.417 5.289 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2OC)c1 614926270 XCHUSAGONTWBFI-UHFFFAOYSA-N 470.978 5.007 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1 619342979 SRHGTVVOLHTWPR-UHFFFAOYSA-N 493.405 5.335 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nc2cc(Cl)ccc2c1=O 619723180 ARXBHZPEZMZNEQ-UHFFFAOYSA-N 487.412 5.237 30 20 JKED O=C(NCc1ccc(F)c(F)c1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 620063673 UHEGWRZRRLMQFA-UHFFFAOYSA-N 458.305 5.169 30 20 JKED O=C(CSc1ccccc1C(=O)NCC#Cc1ccccc1)Nc1cc(Cl)cc(Cl)c1 641875541 QRJFWYAFIBMPJY-UHFFFAOYSA-N 469.393 5.506 30 20 JKED CCOCCCn1c(NN=C(CC)c2cc(Cl)cc(Cl)c2O)nc2ccccc2c1=O 725844354 QOJIDUDJLHTZCN-UHFFFAOYSA-N 463.365 5.062 30 20 JKED CC(C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/CCc1ccccn1 726108367 KYNDAXCCGQFTGX-ZCVHIRLZSA-N 493.460 5.306 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726422259 VZZYDSVXQPPKGN-OVZBCHHNSA-N 492.601 5.349 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)n1 726877541 OLMJRBCZUOLTOG-CVEARBPZSA-N 494.671 5.098 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)cc1 726940048 FBVMKQMEUYYNTH-UHFFFAOYSA-N 463.379 5.383 30 20 JKED CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 727132092 PMHHXQWPFOYEHX-XMMPIXPASA-N 457.530 5.342 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)nn(CC)c2C)cc1 727252883 RSWZSGKUDPWURZ-XMMPIXPASA-N 489.645 5.243 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)N(c1nccs1)C1CCCCC1 728108416 HNGPGPOFPIHUSS-QGZVFWFLSA-N 479.558 5.098 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 728778099 QDFYKEBAZLQBMS-QHCPKHFHSA-N 474.561 5.633 30 20 JKED COc1ccc(-n2c(-c3cc(Cl)ccc3OC)nn(CN(C)[C@@H](C)CC#N)c2=S)cc1Cl 728901867 BSGMLDVVXAIXAO-AWEZNQCLSA-N 492.432 5.586 30 20 JKED N#Cc1ccc(NC(=S)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cc1Cl 729158613 QYKVTIIAPFRIAU-UHFFFAOYSA-N 453.917 6.252 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)cc1 729307452 RKXSLDJRAIUZMP-UHFFFAOYSA-N 460.559 5.049 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ncccc3C)C2=O)cc1 729634334 KNTDSKPCGHAQEM-JOCHJYFZSA-N 479.005 5.512 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1)c1ccccc1 729888336 KAWKMZHKNCQWHI-OAQYLSRUSA-N 466.324 5.231 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3CC)N(Cc3ccccn3)C2=O)cc1 730525202 JWYSIPUNUOPWDG-XMMPIXPASA-N 488.613 5.203 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 730692104 SSUNLUCVEVUFSR-MGPUTAFESA-N 475.353 5.623 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(F)c2)c(C)s1 730719028 VHFWYCGFFBIBDE-FOIQADDNSA-N 497.621 5.324 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730720845 WPNUVMHXAOEXHZ-REWPJTCUSA-N 492.004 5.242 30 20 JKED CC(C)n1c2ccccc2n2c(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)nnc12 731029700 GCYCGEZFYIKFDB-MRXNPFEDSA-N 464.620 5.247 30 20 JKED Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cs2)cc1 731068013 OGZKFLQVOJSQTN-MRXNPFEDSA-N 451.573 5.308 30 20 JKED N#CCOc1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)cc1 731156613 WZZFHXZQSIAEJD-UHFFFAOYSA-N 487.551 5.467 30 20 JKED C[C@H](CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1)c1ccc(F)cc1 731306590 NGXQHAVVZAEGOV-HXOBKFHXSA-N 477.561 5.295 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)Cc4cccs4)n3)cc2)c1 731331562 JJORAOZCTPEFHG-UHFFFAOYSA-N 474.567 5.231 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccc2C(F)(F)F)C1=O 745584652 PVGPJIIXZYKPLG-HXUWFJFHSA-N 471.504 5.126 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 747802683 DZVIAJWWRQQSBU-SQJMNOBHSA-N 499.080 5.890 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H](O)c3ccc(OC(F)(F)F)cc3)c2)cc1 750302333 FRDCQORSRWTTIQ-QHCPKHFHSA-N 485.462 5.085 30 20 JKED FC(F)(F)CNC(=S)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 750986837 JVVFJJUPUJFGJB-UHFFFAOYSA-N 474.392 6.163 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)cc1OC 751200835 YJSZWTWDXPADHN-XFFZJAGNSA-N 453.589 5.531 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2C)cn1 837302505 XNSNFFITNIQBPS-QHCPKHFHSA-N 488.613 5.176 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837741367 WRFJVRSTFPKYNU-JTSKRJEESA-N 462.550 5.251 30 20 JKED CC(C)N1CC[C@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 849613197 PVKIJFDTAHMAEW-ROUUACIJSA-N 494.455 5.162 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1cccc(NC(C)=O)c1)c1ccc2c(c1)OCO2 913144872 FPMDNBAJNQLEHI-UHFFFAOYSA-N 475.570 5.342 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1nc(-c2ccccc2)cs1 915101917 JYXLCXMZJHICIC-HXUWFJFHSA-N 494.414 5.301 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CC2CCC2)C1=O)Nc1ccc(F)cc1F 915112403 YLUJWPWNXGOJLS-IBGZPJMESA-N 465.472 5.003 30 20 JKED Cc1nc(NC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)sc1SCC#N 916089588 INTLDXRBPCDDPE-UHFFFAOYSA-N 473.608 6.144 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C1=O 916205032 CURMYOHVBALRPW-QHCPKHFHSA-N 477.586 5.572 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916209135 FMAXQQDYAYWMCU-VQIMIIECSA-N 478.401 5.133 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccn3)C2=O)cc1Cl 916211604 DOJLJWUEPSCLPR-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cccc(C(F)(F)F)c1 916218006 ZRSACKQGFKXYKF-LJQANCHMSA-N 495.523 5.093 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2ccc(N3CCCCC3)cc2)nc1 916356542 VSFQSSIFHXDCHM-UHFFFAOYSA-N 477.634 5.123 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)[C@@H](C)Oc1ccc(C#N)cc1 916878059 KYFLFMKRWKEVLT-LJQANCHMSA-N 480.520 5.654 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 916905144 AWGRHZBATKAMAK-LJQANCHMSA-N 484.383 6.053 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 916905326 NIJBSSGOBDWGNZ-GOSISDBHSA-N 457.467 5.563 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 916906333 HBYKRKVDMAWMGZ-QHCPKHFHSA-N 477.008 5.466 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 916911903 HPYQBSHJTCIYCU-LJQANCHMSA-N 472.595 5.360 30 20 JKED CSc1cccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c1 917042833 HQXYFWLGXLKOTG-BLLLJJGKSA-N 475.517 5.266 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)cc1 917043579 MGHWEJVIMPZSIB-QGZVFWFLSA-N 487.528 6.256 30 20 JKED N#C[C@H](C(=O)COc1ccc(Br)cc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917044363 SUPZFVCOXVCFPT-LLVKDONJSA-N 489.700 5.986 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cs1 917645172 SUTMHKHXJMOTDA-GRSHGNNSSA-N 497.026 5.759 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccc(C)n3)C2=O)cc1 917678505 VSJHSGLBVUHKHB-HSZRJFAPSA-N 492.576 5.088 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCSc2nc3ccccc3s2)cc1 918658467 HEENSPBYNUGFQK-UHFFFAOYSA-N 459.596 6.062 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Oc3ccccc3)nc2)n(Cc2ccccc2)c1C 919383698 CCUFJGZIZJBSEF-UHFFFAOYSA-N 480.524 5.008 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)cc1 920111059 IOUJZNPNCOAFIW-DEOSSOPVSA-N 497.551 5.141 30 20 JKED COc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)ccc1C 920171179 SIYFWALDZJSDRN-QHCPKHFHSA-N 477.561 5.303 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c1 920357307 XGEITICHZYNRRO-QFIPXVFZSA-N 498.555 5.347 30 20 JKED C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1Br 920523880 UQCJMKWUNSPYJA-CQSZACIVSA-N 470.323 5.090 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc(Br)c4F)CCC3)cc2)C1 1785805138 ZZSRHCQWLUKLDC-UHFFFAOYSA-N 471.370 5.231 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786182474 WWGGUTHHQYIPFS-RPWUZVMVSA-N 495.664 5.582 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3OC)CCC2)cc1 1786369207 UTHDGBGKMYGMBA-UHFFFAOYSA-N 456.970 5.079 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](N)c3cccc(Cl)c3)cc2)CCC1 1788053507 VKKARCGJHIJVHI-XZOQPEGZSA-N 451.998 5.242 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)cc3)CCC2)ccc1F 1789531406 CXCNEFBAPDVKRE-GMQQYTKMSA-N 497.595 5.262 30 20 JKED O=C(C#CC1(O)CCCCC1)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789934564 HOLGHBPTTHTAKY-UHFFFAOYSA-N 493.607 5.195 30 20 JKED CC(=O)c1ccc(OCCCC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)cc1 1790255889 ZDZIXQMMQDMMDV-UHFFFAOYSA-N 495.579 5.368 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4ccccc34)CCC2)cc1 1790511460 KDQZSPTXSIELBN-UHFFFAOYSA-N 491.975 5.145 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)ccc(Cl)c4O)cc3)CCC2)CCC1 1790758804 MVXLOHVILNBGTJ-UHFFFAOYSA-N 458.345 5.141 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccn5c(C)cc(C)nc45)CCC3)cc2)c1 1790796336 JPFFDTRTTPLXTK-UHFFFAOYSA-N 477.568 5.193 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)cc2)CCC1)C(F)(F)F 1790986781 IVZMQNKZSGGWJM-UHFFFAOYSA-N 496.411 5.448 30 20 JKED CCN(CC)C[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791069871 UJRGKYPHIVBNOQ-SFTDATJTSA-N 460.622 5.039 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(Br)ccc3Cl)CCC2)cc1 1791578775 BMUGSRLTHLNZQD-ZDUSSCGKSA-N 481.843 5.097 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792124946 PVMXAOKJXGNBSR-LJQANCHMSA-N 478.552 5.255 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)cc3)CCC2)c1 1792155185 FAPYTXKXWCHRAO-HXUWFJFHSA-N 489.579 5.765 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@]4(F)Cl)CCC3)cc2)cc1C#N 1792168819 HKGYVJJKLINGOM-CPJSRVTESA-N 469.944 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(Br)s1)C2 1798594342 AAHYFVWWZDSFJM-FXVHVQRGSA-N 465.457 5.154 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1802495395 LATRCBHTYFRBLT-PGRDOPGGSA-N 474.432 5.700 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC)cc2Cl)[C@@H]1c1cccnc1 1802501799 CLCBLWKQUNYEOY-AUSIDOKSSA-N 470.013 5.056 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@@H](CNC(=O)CCc2cccc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1802954041 NEDXBOYSCRIZJX-LOAGWBBBSA-N 494.639 5.032 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803086175 FODGKSFOEOZGLZ-GGAORHGYSA-N 471.523 5.188 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1804844035 OIPPROGOJKVEQI-LBNVMWSVSA-N 482.628 5.473 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)C2)CC1 1805937809 HGBGTYDJZJTRAH-DNQXCXABSA-N 452.639 5.022 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c(-c4ccccc4)noc3C)C2)CC1 1808044363 APFBAWDZJWXOEM-UHFFFAOYSA-N 463.622 5.487 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cc(F)cc(F)c3)C2)CC1 1810384817 NMCWENPKMGTWAY-IBGZPJMESA-N 467.560 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2c(F)cccc2Cl)[C@@H]1c1cccnc1 1810493021 TXDDNFKUXTVXDX-YADARESESA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1810499249 WQZZVAXKAGHKOP-YLJYHZDGSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)no2)[C@H]1c1cccnc1 1810858893 XHUOHWVOSWPBBV-RCZVLFRGSA-N 472.589 5.049 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1811286280 LVWHBKCZUYUISU-DRLORSAXSA-N 498.652 5.637 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1812370328 JYNZZPLIBVECCB-FBLLAGFSSA-N 480.678 5.359 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812508285 YDYFADZHEWZYBM-DHLKQENFSA-N 485.550 5.117 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c1 1813836685 FHIJFSUIYZUCTD-CYFREDJKSA-N 493.394 5.202 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1814182085 GUWUHOSNRXASQI-HYJYBNJOSA-N 479.624 5.088 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(C#N)cc2)n[nH]1 1814495663 CFROEQZLPDPDDB-QFIPXVFZSA-N 473.577 5.029 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)[nH]n1 1814829170 LZKYMMSKVXXTPP-NRFANRHFSA-N 495.027 5.348 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1815653260 BSXFVWJZKITTJS-HSZRJFAPSA-N 475.618 5.005 30 20 JKED CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccccc1 1816736012 WJUKATCZFXFQOG-KNJPYWDESA-N 476.602 5.096 30 20 JKED CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1)c1ccccc1 1816736314 LFPLZAFYULRXLX-NOZRDPDXSA-N 469.589 5.100 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4cc[nH]c4c3)n[nH]2)c(Cl)c1 1818488000 SYFYQBBZPZPNTM-QFIPXVFZSA-N 472.936 5.036 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@@H]4CCC[C@H]5CCCC[C@@H]54)n[nH]3)c2c1 1818930834 DAUYIQYLAPSIOQ-ZBNTXBBCSA-N 499.619 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819155097 XIZTVYIVPLKBDP-IBGZPJMESA-N 451.596 5.318 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(F)(F)F)ccn2)n[nH]1 1819858578 KFOZKNTZTCMDSA-SFHVURJKSA-N 463.504 5.122 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)n[nH]2)CC1 1820115763 IVDCOAAOJLWHRH-HXUWFJFHSA-N 484.585 5.229 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c1 1821182515 ARZMGKYUDQKOTJ-QFIPXVFZSA-N 461.953 5.057 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)[nH]n2)cc1 1821182600 DDJZTVVXDZDBDO-OAQYLSRUSA-N 499.468 5.253 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)c1 1823211389 DUHLNFSUULPJJK-UUOWRZLLSA-N 490.007 5.629 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823304149 NXINGQFWTHEHMX-XIKOKIGWSA-N 453.345 5.374 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823307512 UJCPXZOFPHCNPQ-AEFFLSMTSA-N 488.963 5.342 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)cc12 1823683550 NQRAFNZHRZQWHC-NDEPHWFRSA-N 482.628 5.214 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cnccc3nc2C)CC1 1823752043 JWCBPSMFXMPWHB-RUZDIDTESA-N 462.638 5.164 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1824048064 WUTIAPAQGWCKOS-QGDZQMKYSA-N 452.639 5.187 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)c2c1 1824051537 PJJTUUHXMBSQCI-GDLZYMKVSA-N 496.655 5.143 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1824143292 KROQCUAMNCUTBK-HSZRJFAPSA-N 471.573 5.044 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1824545444 VMEVKFFIZVNCAP-VQTJNVASSA-N 474.564 5.032 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1824959061 PDXSYSKPGRCZSG-QFIPXVFZSA-N 493.595 5.339 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)cc1 1825032004 HJJOHCKQODOLBK-HSZRJFAPSA-N 484.065 5.068 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1827364363 CIPDTNKDRMJQLE-HFZDXXHNSA-N 475.633 5.203 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1827379874 AXHINBVUTFOSMX-VWLOTQADSA-N 483.616 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc3c2CCCO3)CC1 1827383957 GXZCTCLGEXFWJU-HSZRJFAPSA-N 456.652 5.075 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)CC1 1827647269 DPRSSQDVOQRJAN-LJQANCHMSA-N 467.532 5.004 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C2CCCCC2)CC1)c1cccs1 1827683670 HDMNROHXRWDYGZ-CTHGKDIYSA-N 468.663 5.243 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734781 KQFXFNYYNPKRTO-UZLBHIALSA-N 461.027 5.152 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1828338678 CIHZGBNWIPHQJV-DEOSSOPVSA-N 455.042 5.185 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(Cl)cc(C)nc4c3)CC2)C1 1828496320 XLIXDKPEKXRABI-VWLOTQADSA-N 466.025 5.396 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 1828830230 RZTUSECSHCULHM-LOSJGSFVSA-N 450.623 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 1829068981 BPZAVYRGGTXEFM-NRFANRHFSA-N 469.651 5.629 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4occc4n3-c3ccccc3)CC2)C1 1829569691 AIYONEJVYZBVDI-XMMPIXPASA-N 471.601 5.423 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573684 JMDATPYWBBTTDO-RSXGOPAZSA-N 499.655 6.430 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830017203 VRRYWQKDERHRRR-GDLZYMKVSA-N 494.639 5.513 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3F)CC2)c1 1830083908 BAVFRSTWUSDHPJ-HOYKHHGWSA-N 465.544 5.139 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(Br)cc3Cl)CC2)C1 1830532206 PFWWTCLYAYMSHD-NRFANRHFSA-N 497.836 5.441 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)cc12 1830718149 BSWJBVYMOBANPB-SANMLTNESA-N 472.564 5.034 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c(Cl)c1 1830720499 PIUPHAKKOCODQK-OAQYLSRUSA-N 490.456 5.403 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1831015051 GETNEENWUHTFLA-QFIPXVFZSA-N 485.072 5.522 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1831377100 BPYGTWIFVAHGGK-RDPSFJRHSA-N 467.654 5.117 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)CC1 1831860691 WXJZKTAOQAPZET-IBGZPJMESA-N 458.908 5.048 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1832030285 KRAKISIZFYSHON-QFIPXVFZSA-N 466.519 5.271 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832629114 JKZZLULJHDQZQI-WNCULLNHSA-N 487.644 5.243 30 20 JKED CCn1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c2ccccc21 1832631961 YWNOWRVREQMMDM-RLWLMLJZSA-N 497.643 5.230 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)c1 1832635733 QDWSOGAXWXOLPY-UMTXDNHDSA-N 457.618 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)CC1 1832662052 QHEPVOGMTKZVBF-URXFXBBRSA-N 459.030 5.350 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3OC(F)F)CC2)c1 1832677725 QOQZUEIWRUOFTI-HSZRJFAPSA-N 481.543 5.015 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832706622 OSOHHCXWVZWTCY-IERDGZPVSA-N 454.508 5.290 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1C#N 1846876369 XMWOJNWINMRYIC-UHFFFAOYSA-N 479.580 5.143 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc3c(c2)CCCC3)c1 10826983 NIVUZCUKVMRFKY-UHFFFAOYSA-O 450.027 6.174 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 15242235 BQSYIBJZCACBBD-QFIPXVFZSA-N 476.989 5.186 30 20 JKED C[C@H](OC(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 18594227 XVRIWZKDGCIHBH-AWEZNQCLSA-N 477.007 5.030 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccccc1OC 21334402 VMDXLEQHQXLCAF-KRWDZBQOSA-N 464.591 5.098 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(Cc2ccccc2)cc1 22686031 VXGUEYLAXLLICP-UHFFFAOYSA-O 489.567 5.903 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl 23518874 MNFNSFHDWJJGCW-OAHLLOKOSA-N 492.979 5.114 30 20 JKED C=CCn1c(SC[C@@H](O)Cn2c3ccccc3c3ccccc32)nnc1[C@@H]1COc2ccccc2O1 25766816 RITLLILKCCGYEU-SIBVEZHUSA-N 498.608 5.238 30 20 JKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 31682479 FNHWECYADOVBSA-NSHDSACASA-N 465.387 5.415 30 20 JKED COc1cc(/C(N)=N/OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OC(F)F 109357837 XUNUNQBCQPULGN-UHFFFAOYSA-N 473.423 5.276 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 109701763 MJCWWJMYXLNCTA-UHFFFAOYSA-N 459.552 5.157 30 20 JKED C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)CCc1ccc(C#N)cc1 253591262 LFXIVRAJPZGVEE-WZONZLPQSA-N 453.973 6.361 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc12 253604702 OIXOPCBVRWGQLT-KRWDZBQOSA-N 485.594 5.475 30 20 JKED CN1CCC(c2ccc(-c3cnc4[nH]cc(Cc5cccc([C@@H](C#N)CCC#N)n5)c4c3)cc2)CC1 328578926 ZSOXGTRAERIZCQ-XMMPIXPASA-N 474.612 5.936 30 20 JKED C[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cc(F)c(Cl)cc1Cl 409471960 QKZGEEOELGWTIN-ZDUSSCGKSA-N 463.340 5.125 30 20 JKED C=CCc1cc(CNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1OC 409758433 FAHIBCJNWFVUMJ-UHFFFAOYSA-N 464.509 5.310 30 20 JKED C=CCN(C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1nc(C(=O)OCC)cs1 409815368 JFZJFKIOBUJWJC-UHFFFAOYSA-N 481.603 5.207 30 20 JKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481031936 COUOXBFYSMYKEO-INIZCTEOSA-N 465.912 5.088 30 20 JKED COc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2ccccc2)cc1Br 485281452 DNCJJGUFBKSHHU-HJPURHCSSA-N 465.347 5.002 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3cccc4cccnc34)s2)c(C(F)(F)F)c1 487318818 FFCMKQHYOGTRGF-UHFFFAOYSA-N 452.461 5.354 30 20 JKED COc1cc(Br)ccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 499693579 JYYISKWDWLXODM-UHFFFAOYSA-N 451.320 5.355 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 500332060 KVANPCBJQAMUIG-UHFFFAOYSA-N 457.317 5.341 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2ccccc2n1C(F)F 507007196 OSHWVQVVWQGORY-MRXNPFEDSA-N 460.469 5.231 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(Cl)c2Oc2cccnc2)c1 509502479 IQJWCWSLXIKWJO-UHFFFAOYSA-N 455.901 6.230 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 510236357 AHGYJNOXNSJXSY-UHFFFAOYSA-N 490.516 5.179 30 20 JKED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)cc1 510279650 CDGOSMYWUDYUNC-UHFFFAOYSA-N 493.343 5.350 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N2CCCCC2)cc1 511443292 ZVTNDYWMMDMHKK-GDLZYMKVSA-N 498.627 5.689 30 20 JKED C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)C1 514326602 XUVWFNZHHOTINT-IXDOHACOSA-N 499.040 5.046 30 20 JKED C[C@H]1CN(c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cn2)C[C@@H](C)O1 514465829 IZICJYNUXJADKR-IEGUWTFLSA-N 460.965 5.256 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CC1=O 514559061 BNIMUMMZVUPQSA-RXVVDRJESA-N 468.557 5.559 30 20 JKED CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 515897437 MXMCTPFFNDKENM-FDDCHVKYSA-N 475.976 5.599 30 20 JKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516411770 DVPJRIFAEBHXID-QVKFZJNVSA-N 467.903 5.432 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 517390320 DKTNBSHZLRNNGW-UHFFFAOYSA-N 456.615 5.556 30 20 JKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 517464708 CAEQEGXWTWHZKN-AWEZNQCLSA-N 481.565 5.639 30 20 JKED CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)c[nH]c12 518751477 VHHRIAFPVBAKKG-GOSISDBHSA-N 474.630 5.469 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 519083676 HNYQLSUNBSUUDA-CQSZACIVSA-N 467.000 6.319 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1cccc(Cl)c1Cl 519928999 CMOIITYZJHCOMP-UHFFFAOYSA-N 454.313 5.221 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c2c[nH]c3ccccc23)cc1 520858130 OGMZLGBDMNMRIT-AUSIDOKSSA-N 484.625 6.382 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)nnc2-c2ccncc2)cc1 598931034 HEWKZLJEXURCQB-PHGZLGOBSA-N 474.634 5.049 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc3cc(C(F)(F)F)ccc3s2)CC1 603617231 KTDYUYWOOVKOMU-UHFFFAOYSA-N 487.463 5.290 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)c1 603972267 AQVMTISDINQEPP-HSZRJFAPSA-N 465.347 5.890 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3SCc3cccs3)c2)c1 603995674 UHPREMPOGKWAEE-UHFFFAOYSA-N 469.591 6.417 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2C)cc1Cl 604003790 WTWIKDNOMPHGLK-UHFFFAOYSA-N 499.014 6.277 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C(C)C)cc1 609085297 MDNROYHWHUMGQT-VWLOTQADSA-N 491.975 5.251 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)NCc1ccc(C#N)cc1F 609252904 WOOLPVHOQKSREJ-UHFFFAOYSA-N 470.426 5.599 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378433 IANOYIGMXFRZPF-IBGZPJMESA-N 483.943 5.758 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 609398189 JMANUSUERPQORB-OAHLLOKOSA-N 477.417 5.235 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1 609435607 BAQJCQKEWUTEPZ-DVECYGJZSA-N 451.636 5.731 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC 613407100 IVENKIUAMBVSCT-CQSZACIVSA-N 481.917 5.302 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 615497469 LBKFEIAUHWRXTG-KDURUIRLSA-N 483.584 5.466 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 726320086 RZIPVNYMXJNRJV-FQEVSTJZSA-N 485.531 5.844 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCC)C1=O 726418774 AZKOMEAOGNWMKB-QOTVRNNISA-N 459.637 5.337 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1ccccn1)c1cccs1 726421705 RZLDQKQFFDCYDZ-CXYDIROXSA-N 482.606 5.433 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCc3ccccn3)C2=O)c1 726422473 WEWPBNTYXMLAIU-JKAOCBFXSA-N 492.670 5.392 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CC(F)(F)F)C2=O)c1 726422594 XKIMDGRZZSWHFD-WDVGFVHKSA-N 469.554 5.317 30 20 JKED COc1cc(C(=O)NCc2ccc(OCC#N)cc2)ccc1OCc1ccc(Cl)cc1Cl 727678987 VEKSJMMFWMRALS-UHFFFAOYSA-N 471.340 5.413 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Oc2ccc(C(C)=O)cc2F)c1 728490099 SAGWEQBEDMKWFO-UHFFFAOYSA-N 487.936 5.282 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2scnc2C)C1=O 729142850 NIIYETYQRHCHNC-OAQYLSRUSA-N 494.642 5.237 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2ncccc2C)C1=O 729632947 BPSGMFBQWWDDKN-XMMPIXPASA-N 488.613 5.176 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 729668171 FGZOQBJRMRPUFH-UHFFFAOYSA-O 471.986 5.237 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2F)cc1 729818732 FTAREFQXNHMEGZ-QHCPKHFHSA-N 472.545 5.166 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O)NCc1ccccc1 730459027 FGFXMJKVTGHWJM-IBGZPJMESA-N 475.586 5.192 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)cc1 730484062 HNXHFXLAHSKKPI-UHFFFAOYSA-N 462.553 5.672 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944013 PQMANTYLBHBZGW-JTSKRJEESA-N 489.557 5.020 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOCC2CC2)c1 730944408 ADZIRMPFYMKDQN-HSZRJFAPSA-N 483.609 5.138 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(=O)O)c(F)cc1Cl 730997316 QZJMTYPNXIRZRH-UHFFFAOYSA-N 482.864 5.003 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 731027952 CYEUKVOHWUJZIL-KRWDZBQOSA-N 462.550 5.380 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 731114215 KCENZSWVLAMKQJ-DNVCBOLYSA-N 460.397 5.306 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cc(Cl)cc(Cl)c1 731307132 CNLLLAICZUDHDR-IBGZPJMESA-N 496.416 5.086 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c1C 747599539 KGFOZUWNMAALRL-FQEVSTJZSA-N 468.579 5.060 30 20 JKED CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 748443233 LNCZXYZFFUYIBR-JOCHJYFZSA-N 462.594 5.599 30 20 JKED O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(N2CCOC2=O)cc1 748585284 YJNCNOLREBPKAT-RMKNXTFCSA-N 483.274 5.470 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 748585303 YPOSXGGZKVNTEC-KHPPLWFESA-N 456.329 5.399 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)n(Cc2ccccc2)c1C 758035020 RPEMBCFGCLFRGM-UHFFFAOYSA-N 490.774 5.781 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCN(C4CC4)CC3)C2=O)cc1 837784688 QBWTXQPWXRLXJC-HSZRJFAPSA-N 497.064 5.236 30 20 JKED COc1ccc(CNc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cc1OCCCC#N 864006535 IMAQNUJOAZNQOQ-UHFFFAOYSA-N 463.965 5.920 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 912828557 YIFAUBVKECQAJA-UHFFFAOYSA-N 479.009 5.046 30 20 JKED CSCC[C@H](NC(=O)c1ccco1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102611 AETILPUAMZBAFE-ZBFHGGJFSA-N 494.425 5.438 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1Cl 915180362 NTNIBEVFLVAUNN-QFIPXVFZSA-N 473.989 5.615 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2cccc(Br)c2)nc1 915536234 ZRARJZAQTJKPRT-UHFFFAOYSA-N 498.358 5.048 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1OC 916138382 IDMCNWMVLGWBKT-YRNVUSSQSA-N 491.927 6.017 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(F)F)cc1 916209596 OLKZNIKEXSSQCP-IBGZPJMESA-N 459.518 5.051 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccccn3)C2=O)c1 916215809 KJLDCGWHSSLCNU-QHCPKHFHSA-N 458.587 5.167 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916628303 QNRXCMYARGASQQ-YLJYHZDGSA-N 484.408 5.846 30 20 JKED N#C[C@@H](C(=O)CCc1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997545 WDPDNEOCBMDHAJ-IBGZPJMESA-N 467.381 6.112 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCN3CCC[C@H]3C2)C1=O)Nc1cccc2ccccc12 917672119 CCEALBIFHKNKJJ-ZEVJAHDQSA-N 498.652 5.427 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccsc3)C2=O)c1 917681565 ABPJSWVSFZUWPB-JOCHJYFZSA-N 495.626 5.234 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccc(C#N)cc3)C2=O)cc1 917681788 BWFIVHQGERGMHH-VWLOTQADSA-N 496.592 5.230 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@@H](C)c2ccccn2)C1=O 917697808 PSYWXDLQLIJHIS-LAUBAEHRSA-N 452.624 5.157 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccc(Cl)c1 917702379 GCECNISWHAQCAI-JOCHJYFZSA-N 474.973 5.372 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920103921 IKOPDPNFQVFQLB-QGZVFWFLSA-N 493.947 6.096 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 920107735 FVJNJLXZBJZBKN-MRXNPFEDSA-N 480.418 5.167 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)C(=O)Nc1cccc2ccccc12 920109355 DKKLVDRRQCGRNW-IBGZPJMESA-N 488.341 5.537 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 920110638 SSICWCPGRUSJID-CQSZACIVSA-N 467.234 5.159 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)s1 920167859 FKHXMSYSGMKCIW-ZHRRBRCNSA-N 492.601 5.789 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)cc1 920355882 QHRJFSJTFYASEM-OAQYLSRUSA-N 482.993 5.414 30 20 JKED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806800 QAFQRYATWGTLNK-QFBILLFUSA-N 483.540 5.401 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n(Cc2ccco2)c1C 921249393 CURURLCNUKNQFJ-SANMLTNESA-N 499.592 5.633 30 20 JKED COc1cc(/C=C/C(=O)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])cc1OCC(F)(F)F 921270324 UFARMOOVBSOHOB-FPYGCLRLSA-N 479.386 5.074 30 20 JKED C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1435091212 KGKVFTPAVDJGCJ-INIZCTEOSA-N 456.527 5.260 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786183419 FZVWQKDDCFSEHT-QFIPXVFZSA-N 495.664 5.351 30 20 JKED O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1786598572 QCJDMZPDVVBQOH-ANVJKPAOSA-N 495.501 5.565 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)C(C)(C)NCCC#N)CCC4)cc3)c[nH]2)cc1 1787032102 YGNRTVUOZURALC-UHFFFAOYSA-N 483.616 5.020 30 20 JKED Cc1cnc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c1 1787568147 HWWAHYNLFGRQGX-UHFFFAOYSA-N 462.912 5.116 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1787658875 CQHAFBBIMZHSNK-OAQYLSRUSA-N 471.642 5.416 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)c1 1787881477 ROPJYRGKEJCXOC-UHFFFAOYSA-N 492.551 5.224 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5n[nH]cc5c4)cc3)CCC2)c1 1788437224 IEVWWYQCEGZKSI-SFHVURJKSA-N 463.541 5.251 30 20 JKED CC(C)(C)c1cnc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cn1 1788649446 HNCNVSIHGBBQJN-VAWYXSNFSA-N 488.613 5.022 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cn5cc(Cl)ccc5n4)cc3)CCC2)c1 1788937585 KHDZLUXFVJFYPC-UHFFFAOYSA-N 483.959 5.229 30 20 JKED CCOc1c(F)cc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc1Cl 1789577047 PARDEDOPYIJSCA-WKULSOCRSA-N 497.954 5.338 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)c1 1789880799 KUVUIBQOFUHHBB-QGZVFWFLSA-N 492.501 5.789 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)ccc5[nH]4)CCC3)cc2)c1 1790073113 MVZLRDDFHXNNLY-UHFFFAOYSA-N 482.515 5.249 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occ(Cl)c5c4)CCC3)cc2)c1 1790147421 QXPDXTBRPUHCPO-UHFFFAOYSA-N 458.905 5.347 30 20 JKED CC(C)NC(=O)OC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1790401009 SCTLOGUFCXUZAB-UHFFFAOYSA-N 499.728 5.085 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1 1790521696 WAUQYBHYAVRFDU-HSZRJFAPSA-N 495.620 5.206 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(C)cc3)CCC2)cc1 1790564686 LLYDTKJVZRLENW-OAQYLSRUSA-N 484.600 5.606 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790711617 LJOHKQLRWOWVCI-UHFFFAOYSA-N 492.535 5.040 30 20 JKED COc1cccnc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123276 SAKMMATUKSFYBL-FQEVSTJZSA-N 482.584 5.098 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccn5nccc45)CCC3)cc2)c1 1792126239 CEXSTAKZGDYPKR-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCCCC(F)(F)F)cc1)C2 1798340081 LMUBYIWWLRSZJS-ADYITMSISA-N 478.555 5.428 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3occc3n2-c2ccccc2)c1Cl 1799111246 DDQODKIEDXKITN-NUZGMZIFSA-N 498.970 5.314 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cccc(Br)c2)cc1 1800837379 XHWUQPOHPVKOLP-QEIWAGNOSA-N 493.445 5.562 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(C(F)(F)F)nc3sc4ccccc4n13)C2 1801639679 UMTXOBQXSOYIKT-LVQVYYBASA-N 490.551 5.032 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cccc(F)c4s2)C3)c1 1803679868 RRANBFBWWTVJEP-HUJKARHJSA-N 461.562 5.233 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnc(-c4ccccc4)s2)C3)c1 1803680370 CMGTXPCKWVXOJV-QMZRJTEUSA-N 470.598 5.003 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1C)c1ccc(O)cc1 1803838711 LIBJIEWJDQJNBC-KJJMTIBFSA-N 498.545 5.168 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803999360 DKPNMJCPDNXHFG-SXOVMZTOSA-N 497.561 5.588 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1809161141 NWOZODBIRYLXLJ-QPPBQGQZSA-N 459.590 5.448 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2(C(F)(F)F)CCC2)[C@@H]1c1cccnc1)c1ccccc1 1810444252 OOJUXKRCSAFSPO-KMDXXIMOSA-N 497.561 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810534814 FLFOQZMITVTBIA-ZCYQVOJMSA-N 479.690 5.489 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2cccc3ccccc23)[C@@H]1c1cccnc1 1812043044 FUKONKYOJJPQGC-HLADLETHSA-N 491.591 5.923 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)[C@@H]1c1cccnc1 1812591630 KXAZVYTWPGCNNS-STTRJGPESA-N 484.625 5.376 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1813228961 HCSHIUYZXBAENH-QFQXNSOFSA-N 486.443 5.221 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)Cc3cccc(Br)c3)[nH]n2)C1 1814396538 HESHUOAESZVYCY-IIBYNOLFSA-N 485.426 5.009 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)[nH]n1 1814567583 KNJBSIXCWQFOGY-FQEVSTJZSA-N 494.393 5.181 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1817098026 AVQLUAMPBBRBPN-MRXNPFEDSA-N 494.411 5.145 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccncc3C(F)(F)F)n[nH]2)c1 1818287151 AQWZUOFUYAAJCB-YCRPNKLZSA-N 496.493 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)CCCC3=O)n[nH]1 1818691733 QQYVGFLGGQUAJQ-JOCHJYFZSA-N 462.594 5.227 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)cc1 1819078460 BKIUJIHTHFQANX-NRFANRHFSA-N 487.560 5.449 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1819554476 BKVGVVPWWBAFHE-GOSISDBHSA-N 451.596 5.318 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)[nH]n1 1819554560 HWPYLSHXFNZZNJ-HSZRJFAPSA-N 475.593 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)[nH]n1 1819554569 ILNXNJVMQLTWIX-QHCPKHFHSA-N 499.619 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)[nH]n1 1819556026 PCRKSKHBKKTYSU-HXUWFJFHSA-N 483.016 5.167 30 20 JKED CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)c2ccccc12 1820547558 RWZDURXZCCTNNK-AREMUKBSSA-N 492.583 5.120 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1 1820903102 DWQOMXUIZAPKNF-GGKOYUFUSA-N 499.656 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2F)n[nH]1 1820996037 GWDASSRQJOHYBT-XMMPIXPASA-N 480.584 5.412 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)c2O1 1821182316 NMHFEZMMHOILQN-DEOSSOPVSA-N 497.599 5.199 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)C(=O)CC3)n[nH]1)c1ccccc1 1821447883 ZODFDBWIHMIHST-ZEQKJWHPSA-N 494.595 5.042 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1)c1ccc(O)cc1 1821459129 JVHMFOKYOMJACI-BWKNWUBXSA-N 496.567 5.365 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)c1 1823211386 DUHLNFSUULPJJK-HOYKHHGWSA-N 490.007 5.629 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1823813012 ZJNBNCSDCRUQIF-RUZDIDTESA-N 498.652 5.158 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)CC1 1823997375 HRKYTNKSDAOIAL-AREMUKBSSA-N 466.666 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824268258 FEVVTKYOFSPIPS-VSGBNLITSA-N 494.676 5.436 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1824502142 WHGZTLVXFZJJGH-JOCHJYFZSA-N 472.626 5.257 30 20 JKED Cc1nscc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1825659430 DPUFJCUFQHZMBR-MUUNZHRXSA-N 497.664 5.398 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3)CC2)c(Cl)c1 1826369315 KYERCEBFRWTUPX-RUZDIDTESA-N 464.009 5.078 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC(F)(F)F)CC2)cc(C(F)(F)F)c1 1826671196 IPWDUWHKGSQATM-LJQANCHMSA-N 489.460 5.153 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1828338676 CQVCOQMJQSOXDA-MHZLTWQESA-N 489.685 5.211 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)CC1 1828601988 NIVBHPMTYPASIZ-FQEVSTJZSA-N 487.463 5.311 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1828828540 LPDNEPWUILLWAY-TZIWHRDSSA-N 451.533 5.035 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)C1 1829572552 XPFOOQNEJRXZAN-XMMPIXPASA-N 471.601 5.627 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829956902 WXKPMCYFELASOS-MHZLTWQESA-N 457.618 5.158 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)cc1 1830016897 NOJSFEBSVZCIDC-JOCHJYFZSA-N 488.390 5.551 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274701 HWQRLUMCZFSDPC-YBVWCTEOSA-N 488.097 5.179 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1830416117 GHJRUCLNKXLISE-JIPXPUAJSA-N 493.623 5.527 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1 1830575679 YWABYCLQPNRZFN-VWLOTQADSA-N 481.999 5.217 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1830775706 DECZRJJRHWTGEH-QQUYBBDPSA-N 486.584 5.007 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831139810 KIFNAGZMSVQCBE-JOCHJYFZSA-N 475.699 5.092 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)CC1 1835489346 FSKNLISVYSTEMT-HDYLNDSGSA-N 471.730 5.157 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)CC4CCC(C)(C)CC4)CC3)CC2)c1 1838654496 KAVKMLIDDHEWHQ-QFIPXVFZSA-N 493.692 5.532 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 9397804 LTLWEVJDVBQZTN-UHFFFAOYSA-N 496.596 5.682 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1 10118161 IUMRVVGZEJRGCV-UHFFFAOYSA-O 488.032 6.278 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(Cl)cc1Cl 10836786 OJOHKZJSLGUKRH-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1c(C)cc(C)cc1Cl 11089471 HPYUSPANYURQEG-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247899 DHHOTLQIKFKGCQ-UHFFFAOYSA-O 490.392 5.306 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1Cl 16027319 FLLFBGHCLBRHTB-UHFFFAOYSA-N 461.370 5.627 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1)c1ccccc1 19184765 YHQVRRMBVUPRIH-UHFFFAOYSA-N 471.586 5.039 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)nnc1-c1ccccc1OC 23014330 OBHVMDDHKUGYBC-UHFFFAOYSA-N 484.581 5.367 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(CO)c2)cc1 24033714 VYIBLHNLWIOGNY-UHFFFAOYSA-O 454.015 5.468 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 24874101 STZWCYBLFRPLHU-XDHUDOTRSA-N 484.025 5.035 30 20 JKED CC(C)CCC[C@@H](C)n1c(SCc2nc3ccccc3c(=O)n2CC#N)nc2ccccc2c1=O 24971303 BSQWFHZEGAQTCQ-LJQANCHMSA-N 487.629 5.310 30 20 JKED C=CCn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nnc1-c1ccc(Br)cc1 25405266 DXPHXTNHIDMMAW-UHFFFAOYSA-N 488.798 5.076 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2ccc(OC[C@H](O)COc3ccc(CC#N)cc3)cc2)cc1 27213570 WFDQOPOAPFIGQS-XMMPIXPASA-N 458.558 5.121 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)cc2F)c1 27393140 QVLUMUFVJRSVPE-UHFFFAOYSA-N 458.942 5.421 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc2c1=O 28678128 GBYQEPVPISPTEU-NSHDSACASA-N 468.793 5.662 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1[C@H]1COc2ccccc2O1 32324845 APRKIJZDCORQCU-NHCUHLMSSA-N 485.009 5.385 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 32787503 KHAZEPUJFVVLOR-OAHLLOKOSA-N 461.418 5.331 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c2c(C)c(C)sc2n1 33143723 ABQTVCDUPNILOL-QGZVFWFLSA-N 495.674 5.078 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 46667719 YJFWUWJUAWDMIF-QFIPXVFZSA-N 462.937 5.101 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 72025264 BHFNLTXREAIVKJ-NRFANRHFSA-N 454.530 5.542 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1cccnc1 301819295 QGECTPLPRGOOKU-QHCPKHFHSA-N 471.586 5.397 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 303023290 MCJPQEVRRNBUJJ-KRWDZBQOSA-N 494.389 5.910 30 20 JKED N#Cc1ccc(SCC(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2F)c2ccccc2)cc1 483585405 PQQLPXZHQPHXMC-JOCHJYFZSA-N 498.377 5.048 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 485501762 SULXCOHXYNOAFF-UHFFFAOYSA-N 479.939 5.307 30 20 JKED CCn1c(SCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)nnc1-c1ccc(Cl)cc1 487320177 IHISXVJDAYBABV-UHFFFAOYSA-N 495.033 5.268 30 20 JKED N#CCCn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 494496246 XNIIUSLUXBAPCJ-UHFFFAOYSA-N 497.355 5.662 30 20 JKED C=CCN(C(=O)C[C@@H](CC)c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 504475152 ZCCJFEPUGASCLA-GOSISDBHSA-N 454.617 5.317 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)Cc1cccs1 506588288 YMXMSCOEBWDMTM-SFHVURJKSA-N 469.054 5.721 30 20 JKED N#Cc1c(NC(=O)CCN2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)sc2c1CCC2 507887824 AITTXQKUEJLADF-IBGZPJMESA-N 491.444 5.237 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1 508248306 DKOGHWVEFQRFDU-UHFFFAOYSA-N 471.561 5.312 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 510738074 UAGGPOYQNOQZMQ-LJQANCHMSA-N 484.556 5.199 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 511727643 BURNMRBYNDRATR-OAQYLSRUSA-N 467.616 5.111 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc(C)ccc1OC 512961572 KDHYPZVKMPMZDZ-MRXNPFEDSA-N 472.998 5.133 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 514031419 SKHQPOYSGXZNFR-UHFFFAOYSA-N 493.361 5.261 30 20 JKED C=CCN(C(=O)Cn1c(CSC)nc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514702362 KHKWSZPUBWOBNZ-UHFFFAOYSA-N 479.587 5.150 30 20 JKED CCn1c(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)nnc1-c1cccc(C)c1 515341623 YRVCBEJPNJCNEQ-UHFFFAOYSA-N 488.617 5.326 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 515826334 ICFIGTRYSMVOFS-UHFFFAOYSA-N 479.496 5.827 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1Cl 517297884 ZNORDWCJINXYBJ-IFMALSPDSA-N 485.893 5.744 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)cc1 518795452 URXKALGDVUWXMV-UHFFFAOYSA-N 489.600 6.748 30 20 JKED COc1cccc(Oc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)c1 518898651 UVKWVQHKDMJUJO-UHFFFAOYSA-N 483.484 5.425 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)nc(O)c2c1C 520557991 XRUNKFOSZFLKGX-INIZCTEOSA-N 490.610 5.938 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1NS(C)(=O)=O 520612101 CUPXHXAQYAOURB-OAHLLOKOSA-N 484.965 5.258 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c2c[nH]c3ccccc23)cc1 520858133 OGMZLGBDMNMRIT-XXBNENTESA-N 484.625 6.382 30 20 JKED CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(OC)cc1 520942548 FXFUFSDBAWYXEQ-RUZDIDTESA-N 457.530 5.345 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCCO5)n3)n2)cc1 520942691 LCKNKAQOUZSKAG-QGZVFWFLSA-N 470.535 5.067 30 20 JKED COCCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Cl 521300834 UBKUWBSYAPZERD-UHFFFAOYSA-N 452.942 5.012 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 521546108 UONCJGOKXOWETQ-UHFFFAOYSA-N 451.920 5.228 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 524381421 BWHQEEJFVVORGJ-NRFANRHFSA-N 484.339 5.280 30 20 JKED O=S(=O)(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1cncc(F)c1 589267442 QFLIENZQXKCCEK-UHFFFAOYSA-N 485.406 5.106 30 20 JKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593039780 SDSSONSEGCFQCP-PHIMTYICSA-N 478.380 5.837 30 20 JKED C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 598684543 QGNUPZRBQVYBTA-JTQLQIEISA-N 475.393 5.040 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1Cl 603758904 OAUWKJDLGISDOC-ZCYQVOJMSA-N 483.955 5.568 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@H](C)c1cc2ccccc2o1 608796384 STFAYDUELPLECZ-GOSISDBHSA-N 483.524 5.654 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)n2)ccc1F 609060529 GROCZRKEUSTKKT-UHFFFAOYSA-N 470.504 5.515 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1 609064176 KLNOGEHFEJSBKF-UHFFFAOYSA-N 479.511 5.710 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)cc2Cl)c1 609079556 GFDZRMICORUYTC-NVQXNPDNSA-N 475.976 6.080 30 20 JKED COc1cccc([C@@H](CNC(=O)c2cc3ccccc3n2CC#N)c2c[nH]c3ccccc23)c1OC 609162076 WMCABHXVTBNDNR-HSZRJFAPSA-N 478.552 5.225 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 609382434 FDJYOTYLPZKZRQ-QGZVFWFLSA-N 458.612 6.359 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 609399471 XLQZRUVRCBLDPA-NDEPHWFRSA-N 464.569 6.572 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC=C(c2cccc3ccccc23)CC1 609403928 LMWJLENCIMPJJU-LJQANCHMSA-N 455.583 5.346 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609427681 AGFZQTBCZHSZQD-INIZCTEOSA-N 461.547 5.056 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 609438529 KZQIUFXMXARXQU-QVKFZJNVSA-N 470.019 5.640 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)nnc1-c1ccc(Cl)cc1 617895386 OLSXOSXUDKWSGN-QFIPXVFZSA-N 469.010 5.153 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1ccccc1Oc1ccccc1 726319641 MOLAYERZKMCAAG-FQEVSTJZSA-N 492.491 5.555 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2ccco2)c1 726414367 ZZXWCXVXGAULTD-OAQYLSRUSA-N 497.498 5.440 30 20 JKED CCc1cccc[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1ccc(Oc2ccccc2)cc1 726569901 OAMBYNBVXWFKPG-UHFFFAOYSA-O 496.612 5.835 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1=S 726590646 PKPGADOBOIKYBQ-NRFANRHFSA-N 490.608 5.217 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727305456 NZIOMCLDBZJVGO-QHCPKHFHSA-N 452.583 5.807 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(F)cc1F 728424631 FPHTYDSUHWQYJQ-IVZQSRNASA-N 494.523 5.021 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N)c1cccs1 728778155 PIZDFHVRGXXQJQ-JMDMOJCNSA-N 475.039 5.485 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 729068089 URBUCEDXVQWGDR-OAHLLOKOSA-N 480.355 5.693 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 729146294 QVIPHOMIJGSFIG-SFHVURJKSA-N 490.532 5.029 30 20 JKED CN(C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1)C(=O)OC(C)(C)C 729570332 XIYHZZJSAPVHOB-HXUWFJFHSA-N 499.011 5.511 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2ncccc2C)C1=O 729635006 ZAPWMYZLAGMOCC-XMMPIXPASA-N 488.613 5.176 30 20 JKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc2cc(C(F)(F)F)ccc2s1 729891106 BTWKDUSUNQJZEA-INIZCTEOSA-N 474.464 5.704 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cocn3)C2=O)c1 730711098 YLDYCGMUDDPVMN-JOCHJYFZSA-N 462.575 5.069 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1 730712358 GEMCWPJDHNXJCB-NRFANRHFSA-N 482.993 5.414 30 20 JKED C#CCOc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1 730980569 SWJSHPZIFTXJMY-UHFFFAOYSA-N 453.342 5.174 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1=S 731027846 QYTJAKGIGSSQHN-DHLKQENFSA-N 487.629 5.779 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 731060545 XSGGADYGACCWSD-ZDUSSCGKSA-N 469.415 5.662 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c3ccccc3n2)o1 731060729 JXXNRANGYIHHCV-SFHVURJKSA-N 485.565 5.993 30 20 JKED CC(C)(C)n1cc(/C=C\C(=O)c2cccc(NS(C)(=O)=O)c2)c(-c2ccccc2Cl)n1 731159790 VXWIQNWQJFOWQQ-SEYXRHQNSA-N 457.983 5.226 30 20 JKED N#C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccc(Cl)c1Cl 731195554 KUZPCTYCEPWLIQ-ACJLOTCBSA-N 485.198 5.533 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(Cl)cc2)c1 731305360 KAAZZVHKZUHOQU-QFIPXVFZSA-N 495.988 5.215 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCC(C)C)cc1Cl 731312558 PNDASBRBITWVLS-HXUWFJFHSA-N 475.998 5.061 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c1 743526811 WXQVKRVMUIYPFA-JOCHJYFZSA-N 498.530 5.010 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 746695295 DTOCJRUVFPSBHS-LJQANCHMSA-N 494.444 5.770 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccc(Cl)cc1 747112049 NGRXFGYVTZEQLD-INIZCTEOSA-N 464.761 5.660 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c1 747603521 SRRTYFLWTWVIKL-FQEVSTJZSA-N 468.579 5.005 30 20 JKED Cc1sc2ncn(N=Cc3ccccc3OCc3cn4ccccc4n3)c(=O)c2c1-c1ccccc1 748579966 VCHQGKGKOMAVNX-UHFFFAOYSA-N 491.576 5.542 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)n(Cc2ccccc2)c1C 761746762 HQYDZIAYENNAFS-UHFFFAOYSA-N 478.552 5.246 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(NCCc2cccs2)s1)c1nc(-c2ccccc2)cs1 806251280 RYJXHKKYEXZBMY-INIZCTEOSA-N 483.669 5.346 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 818060187 MHSLZGLCKHGBKQ-UHFFFAOYSA-N 460.480 5.099 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCc2cccs2)C1=O 837302291 VMTDBBSJGQJBAW-NRFANRHFSA-N 483.590 5.099 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1cccnc1 838220885 RTJHJXNBEUXJJV-WAIKUNEKSA-N 494.567 5.644 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1F 838233484 UWFNRZLCCXQJLB-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccn2)ccc1Cl 864511269 SPFQODJQWAPBRX-MRXNPFEDSA-N 490.412 5.261 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)N(O)Cc4cc(Cl)cc(Cl)c4)CC3)c2c1C 901379521 FDCJJRFFZJBJKJ-UHFFFAOYSA-N 465.406 5.249 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F 915771530 JDGDKRWPKOTJDW-FCHUYYIVSA-N 463.484 5.149 30 20 JKED C=CCc1cc(C(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc(OC)c1OC 916073824 GTJYRWUYAODVCR-SFHVURJKSA-N 476.548 5.244 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@@H]2CCCO2)cc1 916207559 YZCDKFMQIHNITO-UGKGYDQZSA-N 469.582 5.088 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1F 916210350 CFTULAUOCWKBBU-OAQYLSRUSA-N 469.488 5.264 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c2ccccc21 916529543 ABASGMJWDRQGPO-UHFFFAOYSA-N 485.927 5.500 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1Cl 916939403 GRKMXDCJKIYMTI-SFHVURJKSA-N 471.991 5.367 30 20 JKED CCCCCn1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)c2ccccc2c1=O 916956004 WSLQUXBCOCOVTB-FDDCHVKYSA-N 458.562 5.061 30 20 JKED CC[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1nnc(-c2ccc(Cl)cc2)n1 917042491 CLXCXCVXDKYGRY-ZBFHGGJFSA-N 490.898 5.450 30 20 JKED COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2)cc1 917327278 GTWRYNUKMYAKBS-AREMUKBSSA-N 482.492 5.276 30 20 JKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1Br 917560289 VEFPEJIOXHAPOQ-TWGQIWQCSA-N 491.794 6.148 30 20 JKED N#CCCCOc1cccc(N/C=C2\C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)c1 917601818 BDYCWUIQGUFWRO-XLNRJJMWSA-N 457.917 5.663 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccsc3)C2=O)c(OC)c1 917665126 UYZUABGFHRWDRE-JOCHJYFZSA-N 495.626 5.234 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccnc(C)n2)c(Cl)c1 917690778 PPIXGYHTHJYEAS-OAQYLSRUSA-N 494.020 5.216 30 20 JKED C=CCN(Cc1ccccc1F)Cn1nc(-c2ccc(OC)cc2)n(C[C@H]2CCCO2)c1=S 918182074 OZXMIBIULXBLDQ-JOCHJYFZSA-N 468.598 5.053 30 20 JKED CC(C)c1ccc(-c2nc(CC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)cc1 918626669 LPSQLGZXVYZWFG-UHFFFAOYSA-N 457.521 5.939 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)cc1 920108827 KGYMXQCSXJEKBA-DEOSSOPVSA-N 452.489 5.202 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2c1C 920108968 CHNIIGPFFBKABJ-MRXNPFEDSA-N 485.059 6.444 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccccc2F)n1 920790126 PBPHLEVOBVKFHS-GOSISDBHSA-N 457.486 5.703 30 20 JKED C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1301057179 QJDOZQRUSFCOHF-UHFFFAOYSA-N 499.040 5.254 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)CCO2 1783393327 GGKFKBIQAMHNMQ-VWLOTQADSA-N 493.570 5.017 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)CCc5ccc(C#N)cc5)cc4)CCC3)cc2c1 1785795741 AEMXARDJWOSNNX-UHFFFAOYSA-N 493.563 5.694 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)c3ccc(Cl)cc3)cc2)CCC1 1785988989 RFWDZBLTYYOFQZ-ZWKOTPCHSA-N 455.986 5.379 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)cc2)CCC1 1786344706 VFHHOSOHUIAJHG-QHCPKHFHSA-N 495.570 5.013 30 20 JKED CC(=O)c1ccc(OCCCC(=O)NC2(c3ccc(NC(=O)[C@@H](S)C(C)C)cc3)CCC2)cc1 1786389967 YOIOXKPQVAQHSC-VWLOTQADSA-N 482.646 5.137 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)F)c4)cc3)CCC2)cc1 1787018875 YBSQHQZZGILVBE-UHFFFAOYSA-N 460.484 5.147 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4c(C(F)(F)F)coc4C)cc3)CCC2)c1 1788789856 VSDJNTHGZKSVLB-UHFFFAOYSA-N 497.473 5.549 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(Br)cc3F)CCC2)cc1 1789573898 GAFPREFSOCKRPE-MZJWZYIUSA-N 498.352 5.048 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1790568457 YOMIQYDBVJFVSQ-KRWDZBQOSA-N 478.980 5.437 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)CCC1 1790680658 MKJYDGWAOCPNPG-NRFANRHFSA-N 476.621 5.226 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cc[nH]c5c4)CCC3)cc2)c1 1790764095 UFHNZFSPMVGSPL-UHFFFAOYSA-N 452.489 5.240 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5sc(C)cc5[nH]4)cc3)CCC2)c1 1790879409 PHQCRQQQOXOZOB-UHFFFAOYSA-N 484.581 5.480 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1 1791106836 QVGQFSBOBKXWBD-FQEVSTJZSA-N 498.583 5.110 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3-c3ccccc3)CCC2)cc1 1791299497 LGOPQRWEPGMQRR-UHFFFAOYSA-N 465.500 5.609 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nn3-c3ccccc3)CCC2)cc1)C(F)(F)F 1791303010 HZEZFRCPZJAPMZ-UHFFFAOYSA-N 468.479 5.047 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791402928 KKNSOOZKGUFNIL-GOTSBHOMSA-N 493.648 5.146 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccccc4)cc3)CCC2)c1 1791531956 AOPHWTLEXNTUSR-CLJLJLNGSA-N 465.553 5.118 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc(C)c4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681425 RSUSONVCSBHCRI-DEOSSOPVSA-N 489.616 5.308 30 20 JKED Cc1ncc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)s1 1791839905 CPMLIIAWSQRVFA-KRWDZBQOSA-N 458.587 5.069 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)COC5)CCC3)cc2)c1 1792123974 WMBRRDJLNNCNCW-IBGZPJMESA-N 465.553 5.405 30 20 JKED Cc1ccn(C)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168868 JFDZVRLQAXCCOZ-UHFFFAOYSA-N 470.573 5.054 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C2 1793052696 LPOQUASGHPJXAR-BCDXTJNWSA-N 454.920 5.379 30 20 JKED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1793210890 ATRHYAWOFJDIAA-KIJMKMAZSA-N 474.045 5.053 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1802499403 HCKAFIKDMOHMRK-WRALFONMSA-N 480.052 5.463 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(F)cc3)cc1F)C2 1802631038 CATOWMIIXXEVNW-NUNAXRQHSA-N 450.529 5.077 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@H](C)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 1802835425 QTNSALQJBQGIRA-RTGAMMJTSA-N 487.003 5.038 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C2CCC(F)(F)CC2)[C@@H]1c1cccnc1)c1ccccc1 1803327348 MCMRGPIFTXNJOZ-ZNZIZOMTSA-N 493.598 5.110 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1804180082 ZLFWFVYAZUITTO-BTYIYWSLSA-N 498.863 5.281 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC2)C1 1804865643 ZSNLREZYKOWFRK-FCHUYYIVSA-N 491.717 5.149 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)c1 1809621505 BCAFAWUIHLWEFZ-SITCREHQSA-N 484.644 5.188 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1810440168 GQCQJNAAMZZUPM-FCEKVYKBSA-N 469.629 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1810504506 ZSZIZRAYHHWBSP-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2Cl)N(C)C)[C@@H]1c1cccnc1 1812429494 OOUBFPCKICLAEK-ZODMCCGTSA-N 497.083 5.036 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1813228779 XYYHRBBAMXUPOD-YIXXDRMTSA-N 492.063 5.446 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813968155 NTPFJKLZOOWBRM-OFNKIYASSA-N 489.513 5.328 30 20 JKED Cc1c(Cl)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1814598040 BFKLTJJDZSPZFZ-GNISGLHKSA-N 482.993 5.178 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccccc3Cl)n[nH]2)c1 1816905758 BBNAPZOJODAYLK-GAJHUEQPSA-N 475.980 5.239 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)cc1 1817003422 AOSZQYBEHJWMOL-QHCPKHFHSA-N 475.980 5.068 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213958 RVAHTMDSPRLJMV-UWJYYQICSA-N 491.558 5.885 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818774674 ADHHSNHCODPHHD-SFHVURJKSA-N 454.983 5.387 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818867820 IVRDOZZCTGWGGH-AOHZBQACSA-N 487.991 5.353 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(Br)c3[nH]2)n[nH]1 1819131250 UKPSKGHAFCJAEV-AUUYWEPGSA-N 484.398 5.172 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819385111 INKOXFFKFCKQAQ-HXUWFJFHSA-N 456.688 5.137 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)c2[nH]1 1819385501 WQKRKIYKEVWWRK-QHCPKHFHSA-N 489.696 5.556 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2F)[nH]n1 1819386891 OFXGKBLIWCVYJM-HXUWFJFHSA-N 472.612 5.045 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2scnc2C2CC2)[nH]n1)c1ccccc1 1819515995 FCKNOQKSUJWMDJ-RBBKRZOGSA-N 487.629 5.247 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)n[nH]1 1820172797 QCRFWXURUQOAAP-MRXNPFEDSA-N 484.881 5.330 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccccc2)[nH]n1)c1ccc2occ(Cl)c2c1 1820229305 PUGZTKROGUPSBK-JOCHJYFZSA-N 472.932 5.167 30 20 JKED CCOc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1820648291 NHNDDJYOCPHNJW-QHCPKHFHSA-N 480.685 5.165 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c(Cl)c1 1821277077 FKAYRJLSZJAAQH-FQEVSTJZSA-N 486.334 5.347 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)CC2)C1 1823701518 LZTZPCPAAFISDD-DEOSSOPVSA-N 499.627 5.372 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cs2)CC1 1824141246 LLGGDEMXYOIGKY-HXUWFJFHSA-N 479.484 5.512 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1824144085 ZBFUVWPULXIIDM-SANMLTNESA-N 481.656 5.428 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1824539688 UUXYUXNEWXFCRO-UYAOXDASSA-N 474.564 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824786027 AGVYDRNNYLUECS-HSZRJFAPSA-N 491.717 5.294 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1825567260 GBCVREGDSCNINR-JOCHJYFZSA-N 475.077 5.293 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)c2s1 1828095598 CJJKMCBXGGPBQM-XMMPIXPASA-N 490.604 5.163 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1828419796 RFGDLVADSXZLNZ-RDGATRHJSA-N 475.555 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Sc2ccccc2)CC1 1828821086 ILFHNWRMSOXRQS-FTBPSBKWSA-N 454.680 5.555 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828828651 OLACQRJNUYNJJF-BKMJKUGQSA-N 463.622 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](C#CC)c2ccc(O)cc2)CC1 1828831617 WFUWGOXIELJSEF-KZQOYIJHSA-N 476.661 5.277 30 20 JKED Cc1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)sc1C 1828906628 XVCHKSWSROTUNN-QFIPXVFZSA-N 473.759 5.044 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncncc3c2)CC1)c1ccccc1 1829032259 LQLUJRGMHMYRDQ-XRKRLSELSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1829066357 CVABZZMGGCTNOG-QHCPKHFHSA-N 467.679 5.830 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)CC1 1829457065 MNYCEOLZKRSNFU-OAQYLSRUSA-N 464.437 5.390 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3Cl)CC2)C1 1829657062 HDHOKMLBTYTZLC-OAQYLSRUSA-N 466.956 5.141 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1829953495 CEKSTNGLVZHWNS-SDVLMSEASA-N 475.555 5.160 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)CC1 1830274911 PALFETFAXNFKCZ-ZJSXRUAMSA-N 493.051 5.165 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)c(C#N)c1 1830285809 VGXZXOXOFSUADP-SANMLTNESA-N 494.035 5.005 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1)C(F)(F)F 1830471567 JLBHDWJSOQGKPW-HXUWFJFHSA-N 486.962 5.479 30 20 JKED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830633330 KGLNANTXGGUFIB-KDYSTLNUSA-N 475.608 5.004 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)cc1 1830633823 ZPJWJYVHUALPCB-MUUNZHRXSA-N 485.628 5.089 30 20 JKED COc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755617 IRIKXWFOFDDDIA-QHCPKHFHSA-N 499.533 5.133 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1831445712 SJNMPHJKNYPQBT-LJQANCHMSA-N 464.553 5.485 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1)c1ccccc1 1832198666 RNYGCJZXNVKEIL-IFSBHXHJSA-N 483.656 5.302 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832199791 AYBLFMMWAWNELO-JUPNKONYSA-N 470.617 5.045 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1832727334 BCMCSXFQRYCBHI-QHCPKHFHSA-N 467.972 5.206 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 9976396 LUOQOMXKBKRYRX-DEOSSOPVSA-N 451.617 5.103 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccc(Cl)cc1 11809939 GHZVILMWHDVJLH-INIZCTEOSA-N 488.082 6.088 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccnc4)n3C)c2C#N)C1 14110012 HNUQUKCUAPEDCY-INIZCTEOSA-N 480.663 5.082 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(Cl)cc1Cl 14133496 LJEPPPISAZLDBN-UHFFFAOYSA-N 483.808 5.831 30 20 JKED Cc1nc(-c2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)s2)cs1 16775386 HCYYBFXEZVUDJI-UHFFFAOYSA-N 461.637 6.274 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2cccs2)nc2cc(-c3ccccc3)sc2c1=O 18519626 RKDWVWXOLDTPBM-OAHLLOKOSA-N 467.641 5.170 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@H]1COc2ccccc2O1 21144092 UDCBDLFKKSUGCP-BFUOFWGJSA-N 491.400 5.403 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nc2cc(Cl)ccc2c1=O 21831872 KRCBBGYILNYNQQ-GJZGRUSLSA-N 467.978 5.340 30 20 JKED CCCCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O 23528239 HPNUUSZSYNIDCT-OAHLLOKOSA-N 454.983 5.231 30 20 JKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 24346622 FQKTWPTUKZEQQQ-DLBZAZTESA-N 473.602 5.421 30 20 JKED C=CCN(Cc1ccccc1)C(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 24499297 DNBBDLMPDBCEFO-SFHVURJKSA-N 475.639 5.488 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 105672026 FJFWFMATPSJDLF-UHFFFAOYSA-N 470.529 5.583 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccccc1Sc1ccccc1C#N 109756628 VGKNQZHKVZMIDS-UHFFFAOYSA-N 494.414 5.539 30 20 JKED Cn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(C(C)(C)C)cc1 115390944 OMGXXLNTSSUPAR-HXUWFJFHSA-N 487.654 5.872 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cs1)c1ccc(F)cc1F 206338842 DCRLHQBBMGYCLQ-XQRVVYSFSA-N 458.873 6.402 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1 255881559 ZBQIBUWKVLPKLP-XMMPIXPASA-N 472.614 5.476 30 20 JKED CCC(CC)CN(CCC#N)C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 303239481 IONMGIQORULSMC-UHFFFAOYSA-N 470.411 5.422 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1 303256863 OMIALQJCQBNWQM-NRFANRHFSA-N 473.529 5.800 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 303289227 MCXBNKUOIHCFMQ-LBPRGKRZSA-N 455.483 5.596 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 409542732 BUTJRXQWADWXLE-IHFIDZABSA-N 474.634 5.285 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H](Oc3ccc(F)cc3Cl)c3ccccc3)CC2)c1 409774332 NEQOXWVKVBJBAO-RUZDIDTESA-N 491.950 5.348 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(Oc4cccnc4)c(F)c3)c2)c1 409795203 WFOCISKEMUVWNT-UHFFFAOYSA-N 481.487 5.459 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1 487007038 AYOXSEWJAGNONN-VWLOTQADSA-N 455.627 5.145 30 20 JKED N#C[C@H](C(=O)c1cc2cc(Br)cc(Br)c2o1)c1nc2ccccc2[nH]1 492633539 WLUKNWSYVGMQOT-LLVKDONJSA-N 459.097 5.324 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1 494382717 FTSGOPAKYRSXRK-UHFFFAOYSA-N 473.623 5.292 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c1 500033035 XGJZFEPIVFATIH-UHFFFAOYSA-N 496.470 5.701 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C(=O)OC(C)(C)C)n(-c4ccccc4)n3)n2)cc1 503584401 FNQFHORZBJRUDU-FQEVSTJZSA-N 484.581 5.750 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OCc3cscn3)c2)cc1 505046714 XVSSXDVDXZVGAL-UHFFFAOYSA-N 457.580 6.138 30 20 JKED CCN(CC)c1nc2sc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2s1 507269579 ZEEUOYGMTXDIIO-UHFFFAOYSA-N 486.673 5.472 30 20 JKED CN(Cc1ccc(Br)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509897984 JTCAXYXNKMPJLY-UHFFFAOYSA-N 464.363 5.758 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3c3cccc(Br)c3)s2)cc1 511266301 LZFXRJXZGDDEHX-FQEVSTJZSA-N 467.392 5.737 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(OC3CCCC3)nc2)cc1 511342739 RMAASIFRZNSHNP-UHFFFAOYSA-N 456.546 5.370 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(CCN3CCCC3)cc2)nnc1-c1ccc(Cl)cc1 511599022 XZIOHNFHGHGIEF-UHFFFAOYSA-N 482.053 5.154 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 512068695 LDEAMIAZWWCZJR-QGZVFWFLSA-N 477.659 5.234 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)c(C)c1Br 513682651 XPFFWBSXUFCCGH-INIZCTEOSA-N 451.349 5.351 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl 515130490 ZVSBCIUEMHSTPY-XMMPIXPASA-N 494.016 5.035 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)c(C(F)(F)F)c1)c1ccc(F)cc1 515293739 FHVKBJIOCZPFMF-UHFFFAOYSA-N 471.332 5.763 30 20 JKED COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 515711027 CBAMYRJWXAHEBU-UHFFFAOYSA-N 497.891 5.198 30 20 JKED CN(C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2)c1cccc(C#N)c1 516369338 RZUWSXIQSJTTAG-DEDYPNTBSA-N 459.505 5.599 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)COc3cccc(NC(=O)c4ccco4)c3)cc2)cc1 519032798 ATZFXDQJKVOMRT-UHFFFAOYSA-N 453.454 5.213 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)c2)cc1 520603384 FNOOQNDLNLAUBF-UHFFFAOYSA-N 478.911 5.133 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1OCC(=O)N(C)C 521811566 LRMPRSYNWIFZKA-XMMPIXPASA-N 472.545 5.090 30 20 JKED COc1cc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)ccc1OCc1ccncc1 522576453 MZPFFNJLGIVDTJ-IBGZPJMESA-N 483.524 5.204 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)c2)cc1 524077011 MQPPFXUBRSDLLD-HSZRJFAPSA-N 454.551 5.887 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C)n2CCc2cccs2)n(C2CCCCC2)c1C 524088703 SYINWXVSCYQOIS-UHFFFAOYSA-N 482.679 5.417 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)cc1 594654794 DCWRKAMPIURSRO-XDUYTMKBSA-N 477.608 5.120 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 603723263 DSQXJWWOXQIVNY-VWLOTQADSA-N 480.499 5.037 30 20 JKED N#Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2Cl)ccc1Cl 603982332 HZFIZTKCFLNUGV-UHFFFAOYSA-N 464.305 5.057 30 20 JKED CCOC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1cccc(OC)c1 604363556 HRWYZTFYNGFYJE-VWLOTQADSA-N 473.529 5.484 30 20 JKED COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](C)c1cccc(C(F)(F)F)c1 604499479 CPRQEYQPIIMVNY-KRWDZBQOSA-N 484.478 6.006 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)cc1 608804767 KXAPUIRIJOCAIP-UHFFFAOYSA-N 469.522 5.436 30 20 JKED CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2=O)cc1 609061449 OBKTVMVTAQLUQE-NRFANRHFSA-N 471.582 5.159 30 20 JKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062339 MJXCFVUCBIKSQN-UHFFFAOYSA-N 463.946 5.997 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 609072380 KBFDCJYMBWLOPS-QHCPKHFHSA-N 477.973 5.541 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(NC(=O)NC(C)C)cc1 609078901 CIEDNSOHMYBMIS-UHFFFAOYSA-N 471.561 5.297 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nn(-c4ccccc4F)c4c3CCC4)cc2F)c1 609104606 IXBAYCABJBZUMU-UHFFFAOYSA-N 470.479 5.342 30 20 JKED CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377842 PRECAALAAIHUBZ-MBSDFSHPSA-N 451.636 5.629 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Br)cc1F 609387537 MVVWPKABHNLMEP-ZDUSSCGKSA-N 453.402 5.854 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 609414940 DNLJDLFPMHOOAN-IBGZPJMESA-N 480.362 5.587 30 20 JKED Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1 609435541 WHHRDDRMDOSLKH-JOCHJYFZSA-N 465.667 5.113 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 609438843 WLRNRLIMXDTALK-YCRPNKLZSA-N 486.435 5.439 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H](C)c1cc2ccccc2o1 609438895 YIQNLOXEJKDFJZ-SFHVURJKSA-N 453.498 5.645 30 20 JKED C=CCc1cc(C(=O)N(CC=C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC 612562093 XSSOWVWANGERKX-UHFFFAOYSA-N 465.531 5.297 30 20 JKED C=CCN(C(=O)c1ccc(Br)cc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614532160 SACVWLPFZKAGLQ-UHFFFAOYSA-N 491.432 5.117 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H]1CCSc2ccc(F)cc21 616282482 AQWVCAOUEXVEKQ-AWEZNQCLSA-N 466.378 5.155 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642263328 PKCXVKGNPKTVAM-NHAGDIPZSA-N 468.438 5.821 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2C2CCCC2)cn1 726109322 FUOJGWISMJNBOB-GOSISDBHSA-N 480.421 5.113 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)SC1=Nc1cnn(CC)c1 726118543 OEFVJDGPELWAST-QFIPXVFZSA-N 477.590 5.066 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CC[C@@H](C)OC)C1=O 726394208 SWROOKQCDDNQBH-IERDGZPVSA-N 490.025 5.042 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(C#N)c(Cl)c1 726409187 PAUMNYHBOZARGX-QFIPXVFZSA-N 474.973 5.511 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCCC2)cc1 726415812 OOWSBVSHYKMFAJ-JOCHJYFZSA-N 469.582 5.516 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OCc3ccccc3)cc2)NC1=O)Nc1cccc(C(F)(F)F)c1 726716956 VLTDDDZLFAADAC-OAQYLSRUSA-N 499.514 5.532 30 20 JKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 728412852 FCVDOSALFWQSTG-DVECYGJZSA-N 463.562 5.916 30 20 JKED N#Cc1cc(F)ccc1COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 728620714 CSRYNUQLXIRDBP-UHFFFAOYSA-N 482.924 5.086 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728777324 KEDZDIXBXCMNPG-OAQYLSRUSA-N 469.010 5.611 30 20 JKED CC(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)NC(=O)OC(C)(C)C)cc1 729058746 MSUIXJHTBKJJSX-QHCPKHFHSA-N 450.583 5.089 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)c2ccccc21 729119364 AMZIBUZCUYBSOP-UHFFFAOYSA-N 497.576 5.397 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 729562512 YBPNXVJYNAKJBL-ZJSXRUAMSA-N 490.604 5.994 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 729631014 DCOALYBVEBUOGR-CLJLJLNGSA-N 494.620 5.192 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cc4ccccc4n3CC#N)cs2)cc1 729766612 KOWQSHFCDCENBU-UHFFFAOYSA-N 458.543 5.225 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc(Cl)c1O 730550793 IUTHLWVUCHXBAC-UHFFFAOYSA-N 460.987 5.218 30 20 JKED COc1c(F)cc(Br)cc1S(=O)(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 730766584 TYWNHTWDEQYQDS-GOSISDBHSA-N 475.339 5.053 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N([C@@H](C)c2cccnc2)C1=O 730942086 CZTBFRUGGYMAGH-MBSDFSHPSA-N 474.586 5.120 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 730943687 JJWXLIGUEYEZIW-SBUREZEXSA-N 491.592 5.008 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1[C@@H](C)c1ccccc1 731068478 ACSNHQUSTIQPBK-UXHICEINSA-N 475.614 5.904 30 20 JKED N#C[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1cccc(Cl)c1Cl 731195252 CBMFKODVPXJQEI-LEWJYISDSA-N 451.309 5.442 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cc(Cl)cc(Cl)c1 731308698 MEINQRNQGBAKCQ-ORAYPTAESA-N 496.416 5.084 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 731400544 QXRIUIUFVGDCHM-INIZCTEOSA-N 478.540 5.258 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCOC(C)(C)C)C2=O)c1 746697737 KUNJSYOSAQZCQP-HXUWFJFHSA-N 490.025 5.124 30 20 JKED COc1ccc(OCc2nn(CN3CCC(C#N)CC3)c(=S)n2-c2ccc(C)c(Cl)c2)cc1 747079039 QZNZWLVCLGNLSU-UHFFFAOYSA-N 484.025 5.146 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cscn3)C2=O)cc1 747600385 QIWUQFCQJGSZQE-IBGZPJMESA-N 471.007 5.265 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cscn3)C2=O)cc1 747602478 MRDFHFBOWJBARY-FQEVSTJZSA-N 464.616 5.229 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ncccc2OC)ccc1Cl 749267090 AYJKHRSOOMUQHX-UHFFFAOYSA-N 492.384 5.031 30 20 JKED CC(C)(C)OC(=O)N1CCC(OC(=O)c2cccc(NC(=O)c3ccccc3SCC#N)c2)CC1 749640394 IOQIPWCIHCGMDF-UHFFFAOYSA-N 495.601 5.111 30 20 JKED O=C(C/N=C\c1cc(Br)cc(Br)c1O)Nc1cccc2ccccc12 750949060 BVTLXCRSLOPFGD-YVNNLAQVSA-N 462.141 5.128 30 20 JKED CCCCOc1ccc(C=NOCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1OC 759812161 OGNAIEIFFGRMMA-HXUWFJFHSA-N 467.591 5.198 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 825492518 DHZUCKPNERNYAL-KRWDZBQOSA-N 477.586 5.355 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N([C@@H](C)CCc2ccco2)C1=O 837381500 LCKPPNJOLMSDSB-YADARESESA-N 491.613 5.578 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1F 838572367 XINYMIXPZMGOIT-OAHLLOKOSA-N 458.317 5.252 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NCc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 864000140 QNKMNQUREYLFDY-OLFWJLLRSA-N 497.020 5.017 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 914548476 IVGOAODOWXCRRS-HSZRJFAPSA-N 495.551 5.272 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N([C@H](C)Cc2ccco2)C1=O 914694882 XEZYJOCZVAANSS-ZHRRBRCNSA-N 498.004 5.533 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915101016 AICDIBQIDCHYLH-PQCZLFTGSA-N 476.001 5.592 30 20 JKED N#Cc1cccc(/C=C2/CN(C(=O)c3ccccc3Cl)C/C(=C/c3cccc(C#N)c3)C2=O)c1 915990798 YBTFLOYUOIKXRN-GACBQCINSA-N 463.924 5.275 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc1OC 916130687 AKALIFBZUJDELH-ACAGNQJTSA-N 494.975 5.337 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2ccco2)C1=O 916206999 WKBBFEWAMZIREQ-NRFANRHFSA-N 483.977 5.411 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(Cl)cc1Cl 916215789 ZBQWFOYQHKHBGE-SFHVURJKSA-N 464.374 5.148 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CC1 916217648 TUNBNPNNJQCCSW-SFHVURJKSA-N 472.408 5.189 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl 916683726 GNGHPUPWEXSONP-VWNXMTODSA-N 475.976 5.914 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916885546 ZHZDPHSBQQMUSO-FQEVSTJZSA-N 486.742 5.860 30 20 JKED C/C=C\c1ccc(OCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1 916907625 ZHXAZGHMDWQJAI-KFIPLBNNSA-N 456.498 5.247 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1 916913252 OZMCAJNMZJOLQS-HXUWFJFHSA-N 458.905 5.309 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)n2)cc1 916971979 HFRCLWHXKOKPSD-HXUWFJFHSA-N 487.654 5.833 30 20 JKED C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996429 MFEZIDAVAIHGRL-ZBEGNZNMSA-N 478.382 6.382 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1cccs1 917029394 GJOWRPCOUFLUEU-UHFFFAOYSA-N 472.599 5.429 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)n2)cc1 917047179 STONNAQPMKVWFV-MRXNPFEDSA-N 452.923 5.207 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C(C)C)cc2)n1 917665429 AQGRFVHRYZLXQD-QHCPKHFHSA-N 491.592 5.208 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1 917675193 GOOLIEOLVFQKFA-HSZRJFAPSA-N 488.569 5.372 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 918274492 IQVMRXFWNIVVJR-MUUNZHRXSA-N 481.596 5.474 30 20 JKED CCCCc1nc(-c2ccc(OC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)no1 920146873 NKDYSOBHVHHGDR-UHFFFAOYSA-N 487.516 5.021 30 20 JKED COc1ccc(C2(C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)CCOCC2)cc1 920322851 AFRHIFVFFBLJPM-OZZUTDSSSA-N 476.642 5.544 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 920328355 RKUGXRGFTUGTNQ-SCOBNMCVSA-N 462.371 5.247 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)c1 920805697 FOOGLMHWDCNWPS-PKOBYXMFSA-N 479.552 5.434 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 921130653 AZTKFMZETJJJMV-LBPRGKRZSA-N 470.790 6.101 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)Cc1sc(N)nc1-c1ccc(C)c(C)c1 927392894 VUTNMQPLKDJFDV-UHFFFAOYSA-N 467.616 5.012 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCCNC(=O)OC(C)(C)C)CCC2)cc1 1786106543 WIDADTIVPABHOT-UHFFFAOYSA-N 469.626 5.194 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3C(F)(F)F)cc2)CCC1 1786604858 ISASFWQHLICODE-MRXNPFEDSA-N 478.486 5.112 30 20 JKED O=C(NC1(c2ccc(NC(=O)C(F)(F)C(F)F)cc2)CCC1)c1ncc(C(F)(F)F)cc1Cl 1786605443 MTHHNKINPIXAKH-UHFFFAOYSA-N 497.798 5.402 30 20 JKED CCc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1787095896 RFJOPFSVWNSRKN-IBGZPJMESA-N 452.558 5.333 30 20 JKED O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3C(F)(F)F)CCC2)cc1 1787873193 BOGBTMPGOOXQDM-UHFFFAOYSA-N 476.392 5.474 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)cnc1C 1788356375 HZROETMSBDWWDI-UHFFFAOYSA-N 493.489 5.045 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4cccc(F)c4)cc3)CCC2)c1 1788374943 JAOMWPPZUISZPC-UHFFFAOYSA-N 479.515 5.149 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)cc(C)n1 1788835629 SHXDZHITACQDRZ-UHFFFAOYSA-N 466.585 5.205 30 20 JKED C[C@@H]1CCc2c(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5Cl)CCC4)cc3)n[nH]c21 1789009846 YBWBYMSJJZQJHR-OAHLLOKOSA-N 473.964 5.046 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)ccc5[nH]4)cc3)CCC2)cc1 1789233374 HQBFAXMFIHVBGG-UHFFFAOYSA-N 452.489 5.240 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CCC2)cc1 1789514056 CLGMOUDFMCEBBX-AOPTUEIKSA-N 464.654 5.199 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1789577919 WCXBPUNVIZTSIX-YYHBVZEZSA-N 475.976 5.290 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Br)cc3)cc2)CCC1 1790471543 DBBJQUKQVYCKNU-UHFFFAOYSA-N 498.421 5.292 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCC2)cc1 1790567847 QDUKKIZWPIIJDZ-OAHLLOKOSA-N 479.474 5.393 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)CCC2)cc1 1790569709 PQSWVUXVSROJTE-LJQANCHMSA-N 492.620 5.220 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790946468 IBSYFXRIVOOBBZ-IBGZPJMESA-N 498.583 5.977 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791444133 MJYTUTNLXIRYEM-LGGPFLRQSA-N 495.664 5.512 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4occc4n3-c3ccccc3)CCC2)cc1 1791577104 LDHWKUUWBJSWKI-KRWDZBQOSA-N 459.571 5.290 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C34CCC(NC(=O)OC(C)(C)C)(CC3)CC4)CCC2)cc1 1791587678 FBBYWSMAOMXEHO-UHFFFAOYSA-N 481.637 5.314 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)C4CC(C)(C)C4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681537 VVDRQXRTDIANJX-QFIPXVFZSA-N 481.637 5.122 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnoc4C4CC4)CCC3)cc2)c1 1792122066 AHPJWJOTCRYLBS-KRWDZBQOSA-N 454.530 5.241 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cnc4Cl)CCC3)cc2)c1 1792125411 ZALPCMVRHPBGQD-INIZCTEOSA-N 476.939 5.563 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)F 1795925481 ICDJSGJEZVPJNR-WOZUAGRISA-N 483.669 5.017 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1 1796503455 LXLBEYJWEJUWAK-REPLKXPHSA-N 493.476 5.231 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F)C2 1798339977 JGQATRBHNLWGKK-PLACYPQZSA-N 485.600 5.193 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)cc4)CCC2)C3)c1Cl 1799305816 OHHJHORYLOJRTC-WKCHPHFGSA-N 482.411 5.239 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(F)c(C#N)c2)cc1 1800135272 OCQCDTTWGUGNJW-QEIWAGNOSA-N 481.571 5.167 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)cc1Cl 1800314946 XXXKLNWUMGFAII-REPLKXPHSA-N 486.399 5.218 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1802499474 SEZMTNVLFXYODH-KAGYGMCKSA-N 471.692 5.322 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1802500288 LZBWIEJHNNFJBM-NOZRDPDXSA-N 477.649 5.571 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1802501071 RQZCMBCAVVNDTQ-CPJSRVTESA-N 491.035 5.595 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cccc(F)c4s2)C3)c1 1803679873 RRANBFBWWTVJEP-KQLYMOGASA-N 461.562 5.233 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1 1804176428 PLFKCIOENYZPHA-SQHAQQRYSA-N 491.701 5.217 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)CCc4cccc(C#N)c4)C3)CC2)cc1 1805328858 SICXEKILKWCJRF-UHFFFAOYSA-N 487.644 5.213 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)C(C)(C)C(C)(F)F)C2)CC1)c1ccccc1 1806179354 ZPOMAHVFKYZMCY-JOCHJYFZSA-N 458.593 5.096 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC4(CCN(C(=O)c5ccc(C#N)cc5)CC4)C3)c[nH]2)cc1 1807426099 QXDCRCJVBNGCPX-UHFFFAOYSA-N 466.585 5.020 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1810179110 XOXOPTUYQNXRMZ-XQFWAAQXSA-N 489.513 5.328 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1811227398 AAOHXGYAKVGWDX-CZZAQMAHSA-N 487.003 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1811255358 ZZRUEKDLPNDUOQ-HYBUGGRVSA-N 484.040 5.446 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c1Cl 1811421405 PZQOFGIMQUZIIL-AVRDEDQJSA-N 490.972 5.048 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cccc2Cl)[C@H]1c1cccnc1 1811708272 KYRDDDMNEROURS-XMSQKQJNSA-N 457.977 5.186 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1811794856 DSDDKBWQGCFWOV-HFZDXXHNSA-N 497.986 5.030 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1812734370 YHBVAWVXWAAUTQ-VXKPSODKSA-N 493.651 5.478 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1813047029 MDBFUGIYGKKJMC-LVXARBLLSA-N 475.976 5.118 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)[nH]n1 1814830036 NQFXKKLISQKREF-FTJBHMTQSA-N 489.664 5.225 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1815094568 UMGGBPPYFMZHIB-DAZOGFOGSA-N 494.642 5.083 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc3c2CCCO3)n[nH]1 1817800382 LVKMAEACOPNVIK-NRFANRHFSA-N 498.725 5.153 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(-c4ccccc4)n3)n[nH]2)cc1 1818197982 MPPNMZFMGLZPKS-AREMUKBSSA-N 490.567 5.157 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4cc[nH]c4c3)n[nH]2)c1Cl 1818487469 LZDWESUXACSRAB-OAQYLSRUSA-N 472.936 5.036 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)c2[nH]1 1818653311 IQMXYIFIASYUOF-OSPHWJPCSA-N 480.572 5.446 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]2)cc1 1818868494 XFMGKOLYIUJPJL-CQOQZXRMSA-N 487.991 5.239 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(F)CCCCC3)n[nH]2)cc(C(F)(F)F)c1 1818882259 XURYHOZPZLASCX-LJQANCHMSA-N 491.489 5.278 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985603 VDNCIFJJGDCFDF-JLTOFOAXSA-N 473.499 5.428 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C(C)C)nn3ccccc23)[nH]n1 1819305823 ONBAJLARJVFDOG-PZJWPPBQSA-N 474.609 5.255 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1819394185 RGOMDPWNMRFZFG-CMPFEXHJSA-N 499.040 5.055 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)cc(Cl)n3)n[nH]2)c1 1819969452 IDKTUSPMBLRSFH-JLTOFOAXSA-N 497.386 5.358 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3F)n[nH]2)c1 1820203218 FXBAOFGRSKUPGV-UPCLLVRISA-N 484.535 5.277 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(F)c1 1821025756 VZQSYPFQUVEYFK-SBUREZEXSA-N 459.525 5.104 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)cc(Cl)cc3Cl)n[nH]2)cc1 1821204131 VNWAPONTYUJCSF-LJQANCHMSA-N 486.334 5.347 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821242981 SEKMRZSHDCLWJL-IBGZPJMESA-N 498.406 5.034 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4c(Cl)cccc34)n[nH]2)cc1 1821540264 HELFLUIOSQABFI-QFIPXVFZSA-N 486.963 5.230 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)[nH]n1 1822400776 VIQMHPZWQXMPLW-XMMPIXPASA-N 455.562 5.420 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)[nH]n1 1822580020 QGTJZRVJZSPKTK-HSZRJFAPSA-N 493.011 5.261 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c(C(C)(C)C)c3)[nH]n2)c1 1823210378 BEXKDWNZIBYNKY-HTAPYJJXSA-N 472.593 5.282 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)[nH]n2)c1 1823210887 JQMCDEQCXSVWCA-WAIKUNEKSA-N 493.970 5.378 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC3CC3)c(F)c2)n[nH]1 1823321535 FUUYEAKELLICNX-OFNKIYASSA-N 480.584 5.412 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)c2ccccc12 1823603064 QFTRDWWVPLBYCC-HSZRJFAPSA-N 457.578 5.046 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1823887524 IARKZWZBACDAFM-NRFANRHFSA-N 464.437 5.095 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccc(Cl)c2)CC1 1823980265 PIIVSWSQCJBDHG-DEOSSOPVSA-N 459.030 5.107 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3cccn3)cc2Cl)CC1 1824143979 YEOZNIGEBUXXDT-SANMLTNESA-N 495.067 5.527 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1824866283 PZYRXXXYPQUYOP-QDPGVEIFSA-N 471.645 5.488 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1824879911 IMIIUOBEFWHDMC-AFMDSPMNSA-N 496.026 5.582 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2CC)CC1)c1ccccc1 1825515714 LLDNPMIITVJBHU-LBNVMWSVSA-N 471.645 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c1 1825856539 FFGRYLXHWHHEBP-UTKZUKDTSA-N 470.038 5.576 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)c1 1826399874 FVPOXOJTVOGHMK-DJUQAAIZSA-N 493.651 5.943 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1)c1ccccc1 1827327126 BDUTXXWAAKVHJZ-WZONZLPQSA-N 498.549 5.009 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827683851 LTPGPFZTGRLOFM-JHUUHBRDSA-N 478.658 5.544 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828154104 HSVBVWJTVAAELD-FPOVZHCZSA-N 462.656 5.228 30 20 JKED C=CCCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cnccc4c3)CC2)c(O)n1 1828201530 XYYSSSNCEOOIPR-MHZLTWQESA-N 498.627 5.001 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828351539 UDTHUDATKRXCHN-OUOHIEPJSA-N 454.636 5.020 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c1Cl 1828676534 WDOFJTDXZWTDEU-QFIPXVFZSA-N 493.032 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nscc23)CC1 1828830071 KDPIZYGEZQDHPB-YKSBVNFPSA-N 451.636 5.298 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)nc2)CC1)c1ccccc1 1829029420 AEWHCACYYGEPOX-WDYNHAJCSA-N 485.672 5.140 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829575925 BUUPVGDOWHSUEO-CYFREDJKSA-N 491.657 5.274 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CC1 1829705719 QFZBWCUARXDOIV-VWLOTQADSA-N 459.565 5.030 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830015173 TXUBVXAPPZVQPC-OAQYLSRUSA-N 473.495 5.026 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3F)CC2)cc1 1830017314 XCIURHNWTGTJIC-HHHXNRCGSA-N 489.591 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)c3ccc(O)cc3)CC2)c1 1830341424 ZIJPBIJCDVKYJJ-PBDKAQRYSA-N 473.617 5.056 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 1830500133 VOUMPZPGYFOACP-DEOSSOPVSA-N 499.533 5.198 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)CC2)c1 1830653978 KAMXOOQKALLRKY-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831449053 WGHDHYUJONWXQD-HSZRJFAPSA-N 475.555 5.071 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1831858847 OMEBSNRTNPMFCP-IBGZPJMESA-N 475.452 5.473 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3scnc3C3CC3)CC2)c1 1832633264 AGMCOUZQIXQPLU-MBSDFSHPSA-N 476.646 5.195 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)cc1C#N 1832703346 JUBRAIAMYOQCST-MHZLTWQESA-N 498.627 5.374 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)CC1 1836696598 JLOGFLBFNWVOBY-UHFFFAOYSA-N 493.673 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CC1 1838424105 LEDHOZLETIISBV-UHFFFAOYSA-N 499.454 5.737 30 20 JKED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)cc1 1845412162 CRTYBTZIUMXSKG-UHFFFAOYSA-N 480.593 5.093 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc3ccccc3c2Br)C1 1845677565 WRBILBZGWMFUPH-LJQANCHMSA-N 467.407 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)C1 1846240136 BPKPAZTWQVQWFT-WUFINQPMSA-N 499.699 5.098 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@H]1c1cccc(C#N)c1 10355305 LDTRPRINTVTNPR-VWLOTQADSA-N 468.582 5.224 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(Br)cc1 10754611 CBHKGMFONQQDND-UHFFFAOYSA-O 480.766 5.286 30 20 JKED C[C@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)C(=O)Nc1ccccc1C#N 11120494 MXPYJUXQQNJIFX-ZDUSSCGKSA-N 496.926 5.308 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(CO)c1)c1ccc(F)cc1F 11159277 HWVBWXJGJQYYTE-UHFFFAOYSA-O 468.332 5.102 30 20 JKED CC1CCN(c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)n2C2CC2)CC1 11986958 VUKAGJBHAJRFIZ-MRXNPFEDSA-N 484.695 5.028 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)cc1F 14872453 QMACDYIWZNTTLA-UHFFFAOYSA-O 464.369 5.272 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247870 OQBGCWHLMWBTNS-UHFFFAOYSA-O 479.840 6.051 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2C2CCCCC2)cc1OC 21170301 RUFQYYDKVRIMHX-CRICUBBOSA-N 485.654 5.003 30 20 JKED C=CCn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nc2scc(-c3ccccc3)c2c1=O 21365786 NAVWPGCAAPMPFZ-UHFFFAOYSA-N 486.622 5.040 30 20 JKED CCCCOc1c(Cl)cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OCC 23752453 CJWYDNSKPLFUSZ-UHFFFAOYSA-N 470.013 5.137 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 25438882 PPLMQMSOYNAEBH-UHFFFAOYSA-N 487.503 5.560 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c1 30608457 GDSDULBLQBJVLS-UHFFFAOYSA-N 492.988 5.159 30 20 JKED CCOc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 71858149 WYFMFJXZDYLODG-UHFFFAOYSA-N 455.967 5.947 30 20 JKED CCN(C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)[C@H](C)c1ccc(C#N)cc1 105904722 LDKNSVIOWGUHOY-HXUWFJFHSA-N 451.574 6.083 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)c(C(F)(F)F)c1)c1ccc(F)cc1 107512275 MAVVNUCRSXQAGV-UHFFFAOYSA-N 470.344 6.368 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccc(Oc2ccc(Br)cc2)cc1 115130108 OXEOCUFNHCNTTN-UHFFFAOYSA-N 468.376 5.908 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 302986587 QYRDVEDBOWRPGY-UHFFFAOYSA-N 498.539 5.824 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCN(c4ccccc4Br)C3=O)cc2)c1 303360047 PTXRQYNWMRARPP-HXUWFJFHSA-N 476.330 5.105 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2sccc2C)nnc1-c1ccc(Cl)cc1Cl 482625735 WTANCNRPFMNIBD-UHFFFAOYSA-N 467.447 5.559 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 486448578 PQNPJWPCZLPTMA-UHFFFAOYSA-N 467.356 5.405 30 20 JKED COc1ccc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1Br 496119519 MUSIEVYUGJUHRD-KRWDZBQOSA-N 481.394 5.343 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC(OC4CCCCC4)CC3)cc2Cl)cc1 497939555 CECUUHLPGDQNDK-UHFFFAOYSA-N 481.980 5.283 30 20 JKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 498931583 DWLXOCVATYXESL-UHFFFAOYSA-N 462.663 6.031 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 500094754 SYPZHRANYLAAOR-UHFFFAOYSA-N 499.833 5.370 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(-c2cccc(Cl)c2)no1 501124925 MOZJHZIUBCVBNO-UHFFFAOYSA-N 457.918 5.178 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 501146304 FDUWBDWZRXJWBE-UHFFFAOYSA-N 472.520 5.364 30 20 JKED N#CCCn1cc(C(=O)Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)c2ccccc21 501874474 OJSZTEXLZCKIFT-UHFFFAOYSA-N 472.957 5.530 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 503342767 GVWZBIKJJHMCRK-UHFFFAOYSA-N 499.718 5.588 30 20 JKED CC[C@H](C)n1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1 504313816 KDYCRBJMFLELHB-LEWJYISDSA-N 461.635 5.960 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc(Br)cs3)c2)cc1 505155944 BGUCUFSJPMIIRM-UHFFFAOYSA-N 456.365 5.477 30 20 JKED N#C[C@@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513653891 HOAZBEQBWJPHRA-FQEVSTJZSA-N 471.607 6.058 30 20 JKED C[C@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc(O)c5c6c(sc5n4)CCCC6)cc3c2C1 513676458 FUAHURMQCTYSLG-SCLBCKFNSA-N 456.571 5.372 30 20 JKED C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H](C)O1 516105296 NISXUWZIRNHJSC-SZPZYZBQSA-N 485.653 5.390 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 516270344 UDRSGZXNHZLBRN-OAQYLSRUSA-N 479.590 5.940 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2OC2CCCC2)cc1Cl 516413068 ACRZQFLVZDIDBV-XMMPIXPASA-N 487.987 5.572 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 518155851 MILNATCUPWBHBP-GOSISDBHSA-N 463.525 5.553 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1 519101580 SAGVIEKVNRQVIB-UHFFFAOYSA-N 459.889 5.849 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 520128969 AMXVVGKNQQRRFQ-UHFFFAOYSA-N 459.546 5.219 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(OCC)c(OCC)cc1Br 521091151 HDODFIBBHJSZAP-UHFFFAOYSA-N 478.343 5.375 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 521725958 GQGWWIYGAIBVNF-FQEVSTJZSA-N 485.675 5.074 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)cc1 524382815 YCVZJGRFMRMGFJ-UHFFFAOYSA-N 487.537 5.092 30 20 JKED N#C[C@@H](C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)c1nnc2n1CCCCC2 558236113 IBTJTFDAVOYTMP-SFHVURJKSA-N 471.413 6.094 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 561158838 NWDZXBDKZDFQBO-CQSZACIVSA-N 471.508 5.668 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 588298674 QYEDZMIMFXHINS-UHFFFAOYSA-N 472.358 5.492 30 20 JKED C[C@@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)N(CCC#N)c1ccc(F)cc1 598880466 GTSWAQCSWJPQKT-CYBMUJFWSA-N 495.363 5.522 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1Cl 604136623 CYXBLZWVRUCCFR-XMMPIXPASA-N 496.954 5.438 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604139419 KUVIONDQVANAJQ-VWLOTQADSA-N 456.546 5.150 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 604394782 KYFVFDWUXRUMCF-VWLOTQADSA-N 465.509 5.232 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CCOCC2)cc1 604460613 ISLIFDVXYJBWNM-UHFFFAOYSA-N 471.557 5.619 30 20 JKED CCCCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@@H](C)c1ccc(C)o1 604500606 WMVDCCGOKLEZEZ-INIZCTEOSA-N 455.609 5.999 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1C 608872919 VAOBWGFUZAEDEG-RUZDIDTESA-N 483.568 5.021 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)cc2Cl)c1 609062577 CEVOZGFZWRQCRU-UHFFFAOYSA-N 492.944 5.274 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 609401928 KHIVYCJVGZUHDO-RTBURBONSA-N 465.623 5.077 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)n2)cc1 612894706 JKFGPFDOWOELJY-JOCHJYFZSA-N 479.627 5.173 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)c2)cc1 613043790 NHGSAFRQEAQMBN-UHFFFAOYSA-N 469.541 5.164 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 613414791 CJPSLPLPDITRLQ-RTBURBONSA-N 490.604 5.693 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 643151531 MQDUHFLRZLIRNZ-UHFFFAOYSA-N 474.532 5.609 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nnc(-c2ccc(OC)cc2)o1 680615398 PTGKJTUHSKMSHJ-UHFFFAOYSA-N 469.954 5.047 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726392858 KTOIVGCSSGYBHF-PZJWPPBQSA-N 488.535 5.042 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(C2CCCC2)C1=O 726416578 XKLAJRHJKQFCFE-HSZRJFAPSA-N 481.618 5.385 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CCc2cccs2)C1=O 726421945 QVKJPGBIUZXCMB-WSJNKUPNSA-N 499.683 5.451 30 20 JKED CCN(CC)c1ccc(N(Cc2cccs2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1 726443206 GTTMZNKUSUBAHF-UHFFFAOYSA-N 455.052 6.523 30 20 JKED Cc1ccc(NC(=O)Cc2nc(COC(=O)c3occc3COc3cccc(C#N)c3)cs2)cc1 726691881 MVJQCZNTIWWWID-UHFFFAOYSA-N 487.537 5.033 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C2CCCC2)cn1 726893076 UIQSBIUFUQEHER-JOCHJYFZSA-N 474.586 5.146 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2)c1C 727252703 LRIIRTOGWAXPCA-JOCHJYFZSA-N 496.036 5.334 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 728422338 AHQQEGYNBZNGGT-CYFREDJKSA-N 483.597 5.292 30 20 JKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(N2CCCC2)cc1 728668577 YWMTZTSYYMZHRV-IBGZPJMESA-N 455.514 5.135 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 729144778 YVAGYCOIXPWDFI-SFHVURJKSA-N 488.997 5.405 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C#N)c2cccc(OC)c2OC)c(OC)c1 729431667 FUIPOVZRFZJUKN-DEOSSOPVSA-N 499.567 5.183 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccc(C(C)(C)C)cc2)c1 729669573 HSEUVNZWCVLKSW-UHFFFAOYSA-O 487.601 5.855 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 730688567 ZNHKVZKVLUVOBJ-HNNXBMFYSA-N 491.947 6.901 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2cocn2)C1=O 730715474 NUJAJJWIIKRNNG-QHCPKHFHSA-N 492.601 5.241 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730716380 WMCKZIYPLDCGEY-JOCHJYFZSA-N 490.972 5.642 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943591 GZFZGUYUVCFIOY-HTAPYJJXSA-N 479.005 5.765 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CCOCC1CC1 730945057 LMGADCMRYFTYHU-RUZDIDTESA-N 498.608 5.098 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1 731070172 NSXNZOVNUAGIAY-HNNXBMFYSA-N 481.599 5.174 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2cccc(Cl)c2)no1 731076951 DTQCPEDCKFWTRI-CQSZACIVSA-N 455.923 5.042 30 20 JKED N#CC(CCOC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)(c1ccccc1)c1ccccc1 731251656 HHUDOWIOOIIYDK-HHHXNRCGSA-N 452.554 5.183 30 20 JKED N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 731288362 QZVFHYUVDALVGG-INIZCTEOSA-N 463.784 6.138 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccn2)cc1 731309174 UGKORIOOWLVQSO-HSZRJFAPSA-N 474.586 5.071 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@H](C)c3cccnc3)C2=O)cc1 743525635 RGJISVBGTJMPJE-JPYJTQIMSA-N 476.577 5.559 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1 745400353 ZNSXJUPMQFHQOY-UHFFFAOYSA-N 455.942 5.970 30 20 JKED C=CCN(C(=O)CCS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747544567 NGVZJCRXNWXEIN-UHFFFAOYSA-N 499.416 5.639 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)cc1C 747603794 YBQOTOGOTZBHPR-NRFANRHFSA-N 499.061 5.882 30 20 JKED N#CCCN(C(=O)COC(=O)c1cnc(-c2ccccc2Cl)s1)c1cccc(Cl)c1 747953797 SFKDWXNOIUHLAK-UHFFFAOYSA-N 460.342 5.221 30 20 JKED C[C@H](NC(=O)CC1CCCCC1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 750398924 WOLSXTDEFDRFLX-SUMWQHHRSA-N 464.418 5.768 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1[C@H](C)c1cccnc1 838189726 ZHVCZJCXXSYABQ-HOYKHHGWSA-N 488.613 5.374 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C)cc1 914547411 OLQYFBPFUPDAON-XMMPIXPASA-N 473.598 5.302 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 915515238 UQVRXEXHJHJRTN-FQEVSTJZSA-N 487.531 5.187 30 20 JKED COc1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)ccc1OCc1cccc(C(F)(F)F)c1 915856941 FQINQOCESMPLNV-FYJGNVAPSA-N 476.520 5.796 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 916052073 YEVJVPDPNYSAOS-HHHXNRCGSA-N 466.562 5.568 30 20 JKED COC(=O)c1ccc(COc2ccccc2C=Nn2c(S)nnc2-c2ccccc2Cl)cc1 916276894 NLHSKTBVLPBSHQ-UHFFFAOYSA-N 478.961 5.135 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 916277226 ZWNYVFXQFIBDMM-UHFFFAOYSA-N 457.390 5.284 30 20 JKED COC(=O)c1ccccc1-c1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)o1 916310623 AARQRXUJDCBZLJ-UHFFFAOYSA-N 469.522 5.362 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847536 RFRXPZUKAUUPRV-INIZCTEOSA-N 464.547 5.113 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2sc3ccccc3c2s1 916887809 RFDAAWJATCNUOR-AWEZNQCLSA-N 458.536 6.392 30 20 JKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888583 WVHHBTGFQPSJTH-IINYFYTJSA-N 459.301 5.423 30 20 JKED CCCCCCn1nc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2c1=O 916944831 OBZUEWIJIRGIHE-HXUWFJFHSA-N 485.371 5.245 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)Nc1ccc2c(c1)OCCO2 916964184 BSAHWEDFOUSGEO-POZKEBTKSA-N 464.930 5.200 30 20 JKED CC[S@](=O)c1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 918051146 RGDSLJATITZRRI-KXSVPLAASA-N 486.659 5.084 30 20 JKED CO[C@H](C)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1sccc1C)CC2(C)C 919594312 WHRCOEHIQWOILY-LQYUOIDQSA-N 470.616 5.284 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)NC3CCCC3)cc12 919666478 KZMTVZPADQSYQS-KRWDZBQOSA-N 475.401 5.143 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 920109544 HVJUWLUPMCCKNA-MSOLQXFVSA-N 456.354 5.346 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)Cc1cccs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 920113958 VSZBMNGTLLKEJE-OKFSJJLXSA-N 479.671 5.082 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 920356222 ROMKALHZTRSPFC-DEOSSOPVSA-N 490.629 5.686 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2cc(O)ccc2C)C=C1 920484476 XNHKUJNMYPUEKN-UHFFFAOYSA-O 491.633 5.870 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 920675841 DMPZCCGJGOVPIN-LBPRGKRZSA-N 463.943 5.156 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1C 920805061 DTWSLBIGIAYWSL-ZDUSSCGKSA-N 486.594 6.069 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1Br 920805286 BNPFNNBZKFTOFK-CYBMUJFWSA-N 477.330 5.668 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807068 XFWCNCNWYBLMEK-HNNXBMFYSA-N 486.341 6.060 30 20 JKED Cc1cc(C)c(NC(=O)COC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(Cl)c1 920891823 FEYLLSTWLVFBGM-UHFFFAOYSA-N 464.953 5.146 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2-c2ccc(C)cc2)C1 1781058371 HIFRQVDRZUXXFS-GZWANVBQSA-N 460.618 5.002 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)CCC1 1786056424 SXRTUOXTCRHZLD-ZLNRFVROSA-N 481.637 5.026 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4OCCc5ccccc54)cc3)CCC2)c1 1786313971 KBDHEXQZMZJYNH-AREMUKBSSA-N 465.553 5.010 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCC(F)(F)F)cc3)CCC2)c(C(F)(F)F)n1 1787869761 SFWQZYWIJKRSLW-UHFFFAOYSA-N 484.400 5.062 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3c(C)noc3-c3ccc(Br)cc3)cc2)CCC1 1788779558 HGKKGXODMAIFFR-UHFFFAOYSA-N 494.389 5.736 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnn4-c4ccccc4)cc3)CCC2)c1 1788870287 CIJURHFUECENTK-OAQYLSRUSA-N 489.579 5.561 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982519 QULXENOYBUIZRF-QFIPXVFZSA-N 465.981 5.142 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc4cccn4cn3)cc2)CCC1)c1ccccc1 1789095747 LRBLVMXZYIZBJV-SANMLTNESA-N 476.580 5.279 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4c3CCCC4)CCC2)cc1 1789508858 REODUHVEZBICKS-UHFFFAOYSA-N 476.697 5.087 30 20 JKED CCSc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1790210168 HCCNWNTYNCEZAI-UHFFFAOYSA-N 470.598 5.321 30 20 JKED Cn1c(CC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc2ccccc21 1790705010 BLXVSQAZRNSZCX-UHFFFAOYSA-N 476.580 5.235 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(Br)cc4F)cc3)CCC2)C1 1791197034 XEIHOUQQUVAVOB-UHFFFAOYSA-N 471.370 5.231 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5c(c4)CCO5)cc3)CCC2)c1 1791393840 CWZQAHWGPTXLBK-FQEVSTJZSA-N 479.580 5.239 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ccc(F)cc45)cc3)CCC2)CCC1 1791489644 YOSDZIJPSYQTOM-UHFFFAOYSA-N 458.537 5.068 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)CCC2)cc1 1791730440 IWLMTUFJMSYWBJ-UHFFFAOYSA-N 454.611 5.072 30 20 JKED CC(=O)Nc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1792132730 DUQZNYMWBSNFPZ-UHFFFAOYSA-N 486.959 5.232 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)/C(C)=C/CC)CCC2)cc1)NC(=O)OC(C)(C)C 1792204525 FYKOQYJCOCHBAA-DAMVKRJQSA-N 469.626 5.336 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C#N)c1Cl)C2)c1ccccc1 1795575535 OBGJHMAYTAUEQS-VOHHZYNPSA-N 464.009 5.293 30 20 JKED CC[C@@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)cc1Cl)c1ccccc1 1800688303 AQVVISWZYNFCEX-FHBCLOHASA-N 464.009 5.293 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccnc2SCc2ccccc2)C3)c1 1800765194 CFRNBISRMCFPQF-QEIWAGNOSA-N 496.636 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccccc2c1Br 1801096818 JUKIFNFZASIZLW-PLACYPQZSA-N 481.434 5.623 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)[C@H]2c2cccnc2)C1 1802417644 NQFWHEPDNAHLQE-HOFKKMOUSA-N 469.560 5.174 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2F)[C@@H]1c1cccnc1 1802491107 GCIKSOSSGXHREA-LANNOVGDSA-N 467.560 5.071 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1802504429 XYQABABAKKIQGO-LSYYVWMOSA-N 496.655 5.764 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)C2)cc1 1804944422 YXGOQZCPWRGGBQ-UHFFFAOYSA-N 493.607 5.438 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@](C)(OC)c2cccc3ccccc23)[C@@H]1c1cccnc1 1807427538 WDCKXWLVIFQVQJ-ZKFXMYHUSA-N 485.628 5.015 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1)c1ccccc1 1809242515 DBCXYCTVZFKDBQ-QXTIUPHPSA-N 491.591 5.345 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1810177850 IFNUFZGJXHKUDW-PMAPCBKXSA-N 490.406 5.616 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811115675 DISZJABKJDJWOT-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811853610 INTSJPUQTSSZPD-GMAHTHKFSA-N 471.523 5.188 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@@H]1c1cccnc1 1812054483 OELWWJNOENWKNN-LXFBAYGMSA-N 487.550 5.150 30 20 JKED CC1(C)CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1813128615 IRASZJLCKBMPBM-LMSSTIIKSA-N 491.635 5.237 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813230642 KKXJUJSEZFDSTP-LMSSTIIKSA-N 465.597 5.262 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1813827516 LNRGFVVFRJJEPE-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)[nH]n1 1814441349 HAXTWDMPPCRLLO-QHCPKHFHSA-N 472.593 5.165 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)sc2C1 1814711591 QEROZZFPLAHYHM-OAUMBLRKSA-N 490.673 5.202 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)cc2c1 1814738478 HKNQWAKJNFSBKS-RUZDIDTESA-N 480.572 5.010 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[nH]n1 1814828773 RVDLOXLXTVGIOK-MYILAFDMSA-N 487.604 5.374 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSC2CCCC2)n[nH]1)c1ccccc1 1815184914 SEMUNGLBLZQJJP-LADGPHEKSA-N 478.662 5.275 30 20 JKED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Br)cccc2-c2ccccc2)[nH]n1 1816747742 QWWYJHYUGPKLQY-FQEVSTJZSA-N 492.377 5.059 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1819368903 GFHQNHPTRZQEDI-IRXDYDNUSA-N 499.826 5.249 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)c1 1820466945 KQSLDXQLLAZZMB-JOCHJYFZSA-N 495.505 5.239 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1820969793 DGBNDLSBMIDVPK-KBXCAEBGSA-N 488.013 5.385 30 20 JKED Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1821106866 IKXQLVPJPJTNKD-OAQYLSRUSA-N 465.916 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)[nH]n2)c1 1821325131 BYRRBTIKCLLVNN-QFIPXVFZSA-N 486.963 5.344 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1 1821789760 HWHFYSVYRFEUBH-FOIQADDNSA-N 494.423 5.142 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1821923151 GSIGSUNWOWEHCP-UZLBHIALSA-N 458.990 5.368 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2SCC)CC1 1823659958 OMRZDEMIWCRCLQ-GMAHTHKFSA-N 455.668 5.195 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)cc1 1823671426 PVCBYUDZLHDTDF-QHCPKHFHSA-N 499.442 5.126 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc3ncccc23)CC1 1824474544 VSHNBKHJOXGVGO-SHQCIBLASA-N 459.634 5.165 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc4ccoc4c3)CC2)c1 1827503685 NQMAWYKMMHWVAA-CLOONOSVSA-N 470.573 5.002 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)c1 1827793309 LZGGEWIAUXUJHR-MHZLTWQESA-N 496.586 5.306 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)CC2)c1 1828335774 XJCNINQJQZYRBW-MBSDFSHPSA-N 474.630 5.404 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)CC2)c1Cl 1828712340 RRMFUZDSNWIHJG-OAQYLSRUSA-N 481.021 5.302 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2C(C)(C)C)CC1 1828825228 UWMIIWYDYSYPLO-LADGPHEKSA-N 451.655 5.381 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 1828826801 MGWZHOGSNAAWGE-RBBKRZOGSA-N 467.635 5.405 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)n1 1828907172 WYIGEZMMEHYKNE-MHZLTWQESA-N 495.784 5.302 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829492752 NTTPSGDXPXNMHV-MUUNZHRXSA-N 471.645 5.750 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c(Cl)c1 1829972390 KPDRRXAWQSPPNQ-QHCPKHFHSA-N 470.400 5.412 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 1830631099 YEDXEENRFNWKJU-HXUWFJFHSA-N 456.011 5.015 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)cc1 1830686735 KZVGREWTMAFLOV-XMMPIXPASA-N 494.433 5.176 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccsc3[nH]2)CC1 1830886671 GZUVJKXTWVGEJW-QHCPKHFHSA-N 483.754 5.514 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c(Cl)c1 1830911715 IBTKTIGZHWADOL-DEOSSOPVSA-N 475.976 5.505 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1831842747 OSWXQLNQPIMWEF-RXFWQSSRSA-N 487.669 5.453 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1831852577 TWCISKBGNMOUIJ-HHHXNRCGSA-N 482.628 5.267 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](C#CC)c2ccc(O)cc2)CC1 1831924748 VDZLYJFKPZOHAT-MYKRZTLLSA-N 476.661 5.277 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4[nH]ccc4s3)CC2)c1 1832632738 VCNUELRGYVLBHI-JPYJTQIMSA-N 474.630 5.404 30 20 JKED Cc1csc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633386 BOSROEACWMXNAH-RLWLMLJZSA-N 477.674 5.550 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1 1832634894 XASJZMFIOOZKTD-ZBLYBZFDSA-N 475.608 5.319 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)CC1 1833076524 QKXLGOBTEZACGB-HDYLNDSGSA-N 471.730 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)/C=C/Sc3ccc(C)cc3)CC2)CC1 1835816043 QUJXJJZSPIPBJZ-XMHGGMMESA-N 483.722 5.165 30 20 JKED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccccc4C4CC4)CC3)CC2)c(Cl)c1 1838686500 NYTBMZPUPLFJBG-UHFFFAOYSA-N 492.019 5.015 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccccc1 9334312 JCZPLFGPZSPARH-XMMPIXPASA-N 454.599 6.220 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2cccc(Cl)c2)cc1 10830221 HVMOIESLQVLQSM-UHFFFAOYSA-O 474.831 6.003 30 20 JKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C(F)(F)F)c1 11554205 FLRHXNGBKHQHLE-QHCPKHFHSA-N 492.526 5.926 30 20 JKED Cc1ccc(Cn2cc(C(=O)OCC(=O)[C@@H](C#N)c3nc(C)cs3)c(-c3ccc(C)cc3)n2)cc1 18377241 DLJCZIZOGPPQLD-JOCHJYFZSA-N 484.581 5.013 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccccc1OC 20992259 PKSNGTOLXBXFCJ-VWLOTQADSA-N 484.625 6.229 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 21175594 MHMYVDRIXFPTRG-UHFFFAOYSA-N 458.612 5.625 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccc(C(C)(C)C)cc1 22160815 ONDDDUBNAABJOX-UHFFFAOYSA-N 477.659 5.775 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(OC)c2)[n+]2ccc3c(c2)CCCC3)cc1 22728429 KHBWVOCYXFUHMH-UHFFFAOYSA-O 461.607 5.311 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)c1 22729796 GPHWEHMZOUSARS-UHFFFAOYSA-O 491.680 6.721 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22799952 RMACHVQBFZHQSY-UHFFFAOYSA-O 464.920 5.162 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2sc(-c3ccccc3)c(C)c2c1=O 23298234 ZRSSTYWTCKYFKR-QGZVFWFLSA-N 491.638 5.747 30 20 JKED C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 24398227 KWFJHEGWLVFBDY-LJQANCHMSA-N 452.583 5.354 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccs2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 24770475 HJOKSJXGCUMLLC-CQSZACIVSA-N 499.658 5.790 30 20 JKED CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)s1 25733944 HOISNAQKHCPKTR-UHFFFAOYSA-N 458.568 5.299 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1C#N 28491827 VNMATKZBOLRSLN-HNNXBMFYSA-N 493.585 5.168 30 20 JKED CCOc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCC[C@@H](C)C4)cs3)s2)cc1 28931718 CEMNNESIOKEJCY-OAHLLOKOSA-N 456.637 5.842 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)c2nccn2C)cc1OCC 30643223 ZKVPYJIXCCCXOW-OAQYLSRUSA-N 456.384 5.025 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 33163542 AMCKATLZTZJYLP-UHFFFAOYSA-N 492.329 5.545 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CSc3n[nH]c(N)n3)c2C#N)C(C)(C)C1 33557097 DYRANOVEYJCRQD-PLNGDYQASA-N 482.660 5.199 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1 36883229 RBOLIPIZFCQQGR-UHFFFAOYSA-N 454.979 5.590 30 20 JKED COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccccc1 97543291 KXDGBDLWGZONAJ-GDLZYMKVSA-N 477.564 6.246 30 20 JKED O=C(Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(C(F)(F)F)c1)c1ccc(F)cc1 117222815 KFIFKHSQYJQXDK-UHFFFAOYSA-N 474.307 5.906 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1ccc(Br)s1 302954206 OSNFNAYTMXZVKR-UHFFFAOYSA-N 456.365 5.839 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)cc2Cl)c1 480436962 PNKLYGRHTMDNND-JOCHJYFZSA-N 475.932 5.888 30 20 JKED C=CCn1c(Sc2ccc([N+](=O)[O-])nc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 483952588 GXTSPOFEZWFWDM-UHFFFAOYSA-N 454.508 5.213 30 20 JKED CCN(Cc1ccc(OC)cc1OC)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 485504836 NNGPTUFZQGFXAA-UHFFFAOYSA-N 493.947 5.008 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N(C)C)c2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 497677235 FCKIZXSQMQHAGC-UHFFFAOYSA-N 493.629 5.753 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 500732977 NCJFTUHVVCQEHY-OAQYLSRUSA-N 473.960 5.803 30 20 JKED Cc1c(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cccc1C(=O)Nc1ccccc1 501184235 XMLVYLIHRRPNSA-UHFFFAOYSA-N 490.567 5.021 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1C 501781013 PKGWUQDJXQOJQT-UHFFFAOYSA-N 481.625 5.514 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C 502638994 SGKXXJYYFOWJJL-UHFFFAOYSA-N 496.380 6.369 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1 505128708 FALNERVSURTMFT-QGZVFWFLSA-N 463.563 5.363 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 509586345 IBIGBRLQYRPEPG-UHFFFAOYSA-N 478.346 5.613 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)N2CCCC2)c1 509908148 CBILAWFDLCCUCA-NDEPHWFRSA-N 484.600 5.299 30 20 JKED C[C@H](NC(=O)C12C[C@H]3C[C@H](CC(CC(=O)N[C@H](C)c4ccc(C#N)cc4)(C3)C1)C2)c1ccc(C#N)cc1 509960155 ZYFTZLUZWBAMFS-JOCBGEPOSA-N 494.639 5.461 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NC(c3ccccc3)c3ccccc3)s2)cc1 510223301 NNJOXJOQPDIEQK-UHFFFAOYSA-N 457.584 5.613 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1OC(F)F 511438173 LUHVDTYWRFWQTD-QGZVFWFLSA-N 451.473 5.816 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 511622856 MCQGHXCZZABUNM-UHFFFAOYSA-N 459.461 5.403 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 513361642 MFVJONIBEIVFHE-UHFFFAOYSA-N 464.440 5.290 30 20 JKED C=C(C)CN(CC)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 514901580 GGUWSOPHFBPGAS-ZHZULCJRSA-N 472.585 5.786 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 516264850 VEFNOQUTRFVJGZ-QGZVFWFLSA-N 467.308 6.212 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 518137969 ZBEFTVGMNXNIAE-HNNXBMFYSA-N 467.934 6.545 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1CCc1ccccc1 518675631 KJMXUFAXDVRVIT-LJQANCHMSA-N 475.536 5.273 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3n[nH]c(C4CC4)c3Br)s2)c(C(F)(F)F)c1 520456130 JTORYXYQTSOZOC-UHFFFAOYSA-N 496.312 5.240 30 20 JKED COc1cc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OCC(C)C 520470788 FGOVCHZEPNUKKE-OAQYLSRUSA-N 474.605 5.615 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 521262406 LCOJLXNZNYXPIB-QGZVFWFLSA-N 462.541 5.307 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)NC4(C#N)CCCCC4)sc3[nH]2)c1 522205337 FUBGSNVJQQWIJW-UHFFFAOYSA-N 466.632 5.158 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 523214793 NXASUSJTSYBNMH-MHZLTWQESA-N 495.510 5.343 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c12 523230513 DVCXODMPWHYDHV-IBGZPJMESA-N 454.486 5.951 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C 590666659 HCBWCNPGGMOWJL-WZONZLPQSA-N 499.014 6.078 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)cc1 594654793 DCWRKAMPIURSRO-NYMHPOLGSA-N 477.608 5.120 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 603457294 KOCVUSVLUBZYES-NRFANRHFSA-N 472.545 5.232 30 20 JKED Cc1sc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)c(C#N)c1C 603750109 DUWBHZAFEAAJHV-UHFFFAOYSA-N 468.376 5.433 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608841237 MCRMDVKYFQOZRK-GOSISDBHSA-N 465.941 5.460 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609061427 BXSLYHPKSSEMCB-UHFFFAOYSA-N 459.571 5.065 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 609061845 YNKCXMTWFIMJFQ-UHFFFAOYSA-N 467.569 5.504 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(Br)s1 609079002 WBKGZXPRHIRECU-UHFFFAOYSA-N 470.392 5.934 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2Cl)c1 609080937 XHMOUSZNDAHNRM-JOCHJYFZSA-N 489.000 6.769 30 20 JKED N#Cc1ccccc1NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 609092509 COUWCTOFCOWOIL-UHFFFAOYSA-N 464.369 5.523 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609402004 RHWCNZIQAZXYTD-IGQOVBAYSA-N 453.452 5.969 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)cc1 609413848 OJCYWYQMYIBEDV-UHFFFAOYSA-N 450.970 5.339 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C(F)(F)F)nnc1-c1ccc(Cl)cc1 612435183 RGMTVRZCKGBHKL-SFHVURJKSA-N 466.916 5.296 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613320143 SOAQYFZEWVZAMD-LJQANCHMSA-N 480.014 6.851 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1OC 617996447 RRKYKPDVTBBCGX-OALUTQOASA-N 472.614 5.651 30 20 JKED O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623591116 QQJKCVZGEILVTP-TXEJJXNPSA-N 459.312 5.094 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc(-c3ccco3)nc21 642282354 HJAJQHOWIWDEAR-HNNXBMFYSA-N 460.444 5.507 30 20 JKED C=CCn1c(SCCCC(=O)Nc2c(CC)ccc(Cl)c2CC)nc2sccc2c1=O 645080239 KJTSCMHBAALBMU-UHFFFAOYSA-N 476.067 5.933 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 726413517 TZKLREGYLRIPTO-YADARESESA-N 468.582 5.093 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1 726416627 XZMYXYIPYPHOAL-QFIPXVFZSA-N 497.617 5.835 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@@H](C)c1cccs1 726421015 NPRQRGRVPKKPPH-XTZQWVRSSA-N 486.594 5.082 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OCCCC#N 726626721 KJQTXZAYCPXXHS-RGVLZGJSSA-N 469.975 5.309 30 20 JKED COc1cc(Br)c(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1O 726627007 NSXKDMGWONIQND-BNCCVWRVSA-N 481.780 5.094 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2ccccc2C(C)C)cs1 727062177 VCQIPTXNIPBKAG-UHFFFAOYSA-N 465.648 5.888 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2F)c1 728192585 AESKTPFXSNOXTA-UHFFFAOYSA-N 460.465 5.037 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1F 728425507 NPKBSWSRWRTIQW-SBUREZEXSA-N 487.560 5.122 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)c1 728777042 IGXKZOVSENFGTF-HXUWFJFHSA-N 472.973 5.442 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3scnc3C)C2=O)c1 729145375 KQVRHLFJFKLWDI-HXUWFJFHSA-N 498.605 5.068 30 20 JKED N#CCOc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)cc1 729241209 RDVXXKYWNAEFBW-UHFFFAOYSA-N 468.369 5.831 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3ncccc3C)C2=O)c1 729631858 VEWZLWXFRSQAEH-HSZRJFAPSA-N 488.613 5.176 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 730461936 UVQKUNRACRNMAX-GOSISDBHSA-N 493.372 5.414 30 20 JKED C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)ccc1N1CCC(O)CC1 730675604 ONRVWXPKYMLNFH-IHRRRGAJSA-N 499.471 5.057 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nnn1-c1ccc(-c2ccccc2)cc1 731288319 RSWHUWGAWSJLOJ-HXUWFJFHSA-N 490.350 5.511 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(F)c2)c1 731313256 VISJLIHIZMWMED-QFIPXVFZSA-N 481.524 5.139 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)ccc1OCc1ccccc1 747067372 VDFJXPQECBFKQE-FLIBITNWSA-N 488.508 5.175 30 20 JKED Cc1ccc(/C=C2/CN(Cc3ccccn3)C/C(=C\c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] 747317524 XPQADFRAAPECKQ-NQRIEWMKSA-N 484.512 5.067 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)c(C)c1 747598503 BRWYFFRDKSAJST-FQEVSTJZSA-N 486.569 5.199 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799219382 RKTBWDSJLUILGE-HNNXBMFYSA-N 459.852 5.002 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 825211747 HUAJYGCGXARNER-YVMONPNESA-N 454.857 5.170 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1F 838235153 DQYDXIQQGDUERT-OPAMFIHVSA-N 480.540 5.390 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccco3)C2=O)c1 838592975 WMYPXESPNNTCLB-OAQYLSRUSA-N 469.513 5.335 30 20 JKED C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(Cl)cc1Cl 913008608 LQTSXRJCKABZBC-UHFFFAOYSA-N 453.391 5.023 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 914498872 VBKGSJGNWBPSOH-QBFSEMIESA-N 459.546 5.203 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1 914549115 ZKYYMVUIQIDNOG-JTSKRJEESA-N 479.005 5.134 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 914555399 FWBGFDRNPAYSAC-QHCPKHFHSA-N 495.551 5.272 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CC2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 915116586 KPFRSIHGLWYHPP-IBGZPJMESA-N 472.954 5.009 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCc3ccc(C)o3)C2=O)cc1 915116752 NYZZDMBHHMCDGG-HSZRJFAPSA-N 493.560 5.133 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccc(OCc3ccccc3C#N)cc2)c2ccccc21 915513814 NSIXMZLGKSZGJH-UHFFFAOYSA-N 463.493 5.045 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 915525873 SSOHVLUIVBBOKD-UHFFFAOYSA-N 491.762 5.045 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)cc1OC 916068162 GAVLGPVGEJKPQN-HWDCPHDLSA-N 490.478 5.048 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3OC)c(OC)c2)cc1 916137024 AQBFHGVKRKUARM-QCDXTXTGSA-N 481.932 5.279 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccn2)c1 916205352 GLRMKJLFJGPNLN-VWLOTQADSA-N 480.593 5.704 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccc3)C2=O)c(OC)c1 916211535 PISYVOZZTQPUKS-HSZRJFAPSA-N 493.560 5.003 30 20 JKED O=[N+]([O-])c1ccc(NN=Cc2ccccc2OC(F)F)c(S(=O)(=O)Nc2ccccc2Cl)c1 916257923 GRHDGYJZNONGOX-UHFFFAOYSA-N 496.879 5.096 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 916438349 IWAXTSFGEDPYFI-QHCPKHFHSA-N 496.533 5.520 30 20 JKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 916539515 CERFPDAWWCAAMR-GFCCVEGCSA-N 468.922 5.383 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916916909 BNMRYHMZPDMHIT-DEOSSOPVSA-N 476.561 5.741 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(Br)ccc1F)C(=O)Nc1cc(Cl)cc(Cl)c1 916941917 BWEJARUFKJZMFZ-AWXVTKJVSA-N 456.098 5.256 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 916945801 ZKZMQRTUVUUOPE-IBGZPJMESA-N 478.339 5.212 30 20 JKED CCOc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916977718 XFVYVBUIRSHQLN-UZLBHIALSA-N 465.962 5.092 30 20 JKED N#C[C@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc2cc(Cl)ccc2s1 917047072 QIFSQKXHAFIRGQ-MRXNPFEDSA-N 474.394 6.058 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)cs1 917562728 JCYHHLMSDNTRIN-ODLFYWEKSA-N 452.536 5.167 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1C 917665701 KERSNQFNESPXGK-OAQYLSRUSA-N 474.026 5.262 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N([C@@H](c2ccccc2)C2CCCCC2)C1=O 917696151 IWQWVOLLVIEEQE-NOZRDPDXSA-N 492.645 5.034 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918466052 XNPCXLUWWNHBBL-NRFANRHFSA-N 466.368 5.636 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1 918476491 SRRBQTXQYGECPF-IZLXSDGUSA-N 493.994 6.034 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3nnco3)cc2)c1 918586174 SGADLFAUMBZGOL-UHFFFAOYSA-N 494.960 5.024 30 20 JKED COc1cc(-c2nn(CN(CCC#N)CC(C)C)c(=S)n2-c2ccccc2F)cc(OC)c1OC 919943520 MDBUFLCLUCMBMI-UHFFFAOYSA-N 499.612 5.064 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(F)cc3Br)n2)cc1 920138845 KXLWIFAMLZBRON-MLGOLLRUSA-N 475.339 5.364 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccccc3Br)n2)cc1 920139672 XGOOUTVPTUCDQK-MRXNPFEDSA-N 473.417 5.940 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920142664 RBMUKEIWCYGBBW-HXUWFJFHSA-N 454.580 5.841 30 20 JKED CC(C)COC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 920301162 VIRBQZIYSFIBQY-UHFFFAOYSA-N 459.571 6.307 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3SCc3ccccc3)cs2)cc1 920368466 MJEVTOFLBWGDQD-UHFFFAOYSA-N 453.618 5.085 30 20 JKED CCCOc1c(Cl)cc(C=NOCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1OCC 920399234 OCHDACNZXZKSBG-UHFFFAOYSA-N 484.767 6.435 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2c(F)cccc2F)cs1 920806736 OXPXTWBXJQDELG-OAHLLOKOSA-N 469.900 6.206 30 20 JKED N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(SC(F)(F)F)cc3)cn2)c1 920834827 ZGSWFFKHAQMZDV-UHFFFAOYSA-N 451.451 5.158 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(-c3ccccc3)c2)c1 921038493 LEJHVPJJCSYDLW-UHFFFAOYSA-N 492.988 5.159 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c(F)cc(Cl)cc1Cl)C2 1779274484 WEELUFWKDMQVBP-WPSZSDGUSA-N 483.411 5.028 30 20 JKED CCSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1785780231 PKSRNDIYXQJFLY-UHFFFAOYSA-N 470.598 5.321 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)s4)CCC3)cc2)c1 1786042377 DJEPADUTRZNUJL-UHFFFAOYSA-N 464.978 5.049 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1)NC(=O)OC(C)(C)C 1787285860 DKVYMGRKZQZOKU-OAQYLSRUSA-N 483.634 5.355 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)[C@@H](C4CCOCC4)CN5)cc3)CCC2)C1 1787948425 QMTMKWIDBLTTDI-AREMUKBSSA-N 485.628 5.336 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)cc2)CCC1 1789106310 QXMWZOIQQFMJJH-MZYLBHOOSA-N 499.627 5.236 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393275 GCHLFAFCBYUADK-MRXNPFEDSA-N 466.969 5.370 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc1 1789489350 SJFGRQAMJANFGS-SDNWHVSQSA-N 456.571 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4cccnc4)c3)CCC2)cc1 1789624356 ZFSCLDQXZVGGRK-UHFFFAOYSA-N 457.578 5.007 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)ccn4)cc3)CCC2)c1 1789722226 TVPXTHZMRXTXEN-KRWDZBQOSA-N 458.949 5.424 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4Cl)cc3)CCC2)c(C(F)(F)F)n1 1789728703 PZVQOPLIMOTMQP-UHFFFAOYSA-N 499.880 5.082 30 20 JKED CC(C)(C)OC(=O)Nc1ccoc1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1790187835 FQRJYPMLSMOJKV-UHFFFAOYSA-N 478.549 5.068 30 20 JKED COc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c1 1790764400 XNPBEEPISOGHFM-UHFFFAOYSA-N 473.960 5.211 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)cn4)CCC3)cc2)cc(C(F)(F)F)c1 1790785309 DSGOYNPCZFHFAE-UHFFFAOYSA-N 482.437 5.173 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CCC1 1791011266 VEFVBDLZZNPALS-MRXNPFEDSA-N 479.558 5.148 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3)CCC2)cc1)c1ccc(O)cc1 1791642303 DLCSRTJNRSFEKT-NRFANRHFSA-N 492.579 5.165 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc[nH]c5nccc4-5)CCC3)cc2)c1 1792123586 KISHXYMTPUWFEK-GOSISDBHSA-N 463.541 5.203 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)CCC2)cc1 1792264222 HPFLSLXKDLNBST-UHFFFAOYSA-N 459.496 5.188 30 20 JKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(F)c1CSc1ccccc1 1799344469 IIIVRJXJLYXWNW-BCDXTJNWSA-N 456.558 5.085 30 20 JKED C/C=C(\C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C)C2 1801611491 CZJBRMJAZFBZSJ-QXIIAILDSA-N 477.690 5.235 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1802493442 YZCDYZIUNIMTJE-ATIYNZHBSA-N 488.607 5.528 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[C@@H]1c1cccnc1 1803455887 KAMNFLHIMPIIJE-OWPQXHQJSA-N 499.561 5.013 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4cccc(OC)c4)c3)C2)CC1 1807449165 LZOHCRSNSPFKAV-VWLOTQADSA-N 475.633 5.304 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C(C)(C)C)s3)[C@@H]2c2cccnc2)c1 1808802380 LKNDCCUAHMCHLB-OFVILXPXSA-N 486.641 5.254 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1809104722 FISUTJBMYRSDMQ-LGVFNWMJSA-N 474.630 5.088 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc5ccccc5c4)C3)CC2)c1 1809127969 DSECIKQKQPXKAT-QHCPKHFHSA-N 479.624 5.554 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc4cccc(F)c4s3)[C@H]2c2cccnc2)cc1 1809205692 RFCFMHVRIWRCHY-RCZVLFRGSA-N 498.583 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1810177856 IFNUFZGJXHKUDW-YZZKKUAISA-N 490.406 5.616 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810184050 ZYTDYYACJXDFMX-QQKQFIJSSA-N 485.550 5.117 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(F)c2)[C@@H]1c1cccnc1)c1ccccc1 1810444090 OOFDPRHKDHPTIT-UNCTUWKVSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1810502415 ISMIBFVGFQWFPN-SQHAQQRYSA-N 488.676 5.384 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccsc2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811250721 BNIDXTBQKVNAHT-IXCJQBJRSA-N 491.616 5.176 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1812592791 UHARVLATGFTHDZ-KWTBFXGESA-N 453.586 5.280 30 20 JKED CC#C[C@@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1)c1ccc(O)cc1 1813122462 UMJYPBWMDAJSAA-YIPIACHPSA-N 489.660 5.207 30 20 JKED CCCOc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813868614 OUEGVDDBPCIMOS-OEQAEZTDSA-N 496.611 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2OC)[C@H]1c1cccnc1 1813909004 BYKDQFPHPHLVFF-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n2)C1 1814396202 BZHMUYCVQZMMBM-OAQYLSRUSA-N 472.630 5.050 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)[nH]n1 1814445725 VAQDQOCPYFODBL-OAQYLSRUSA-N 482.625 5.044 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1815089951 CGSHZVLTUFAGRJ-NTKDMRAZSA-N 487.629 5.087 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)ccnc2Cl)n[nH]1)c1ccccc1 1816045360 GASASIXVDDMRNP-GHTZIAJQSA-N 493.970 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816201696 MNXDDNHPNDWMTR-URXFXBBRSA-N 475.568 5.618 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cccc(C)c4[nH]3)[nH]n2)c(O)n1 1816241746 UDVWTDBZCRLPGS-HSZRJFAPSA-N 498.587 5.038 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)n[nH]2)C1 1818213581 ZJXJHJKTQLVLHY-LJQANCHMSA-N 463.504 5.083 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4cccc(Cl)c34)n[nH]2)cc1 1819224734 MFMCAWCMIXMFQT-QFIPXVFZSA-N 486.963 5.230 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc(F)c3)CC2)[nH]n1 1819302857 NSBCBWJVXYVQMK-IFMALSPDSA-N 450.558 5.041 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)[nH]n1)c1ccccc1 1819518786 FKAVZOLWUNWMLN-NQIIRXRSSA-N 497.521 5.260 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc(Br)c2C)n[nH]1 1820225302 DFHRUPIVYYIYSO-KRWDZBQOSA-N 499.331 5.137 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1F 1820497227 CGENDSOMTVSPPK-SBUREZEXSA-N 459.525 5.104 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1820970808 MZRZXHJFYQWIJY-AOMKIAJQSA-N 496.999 5.027 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1cc(F)cc(C(F)(F)F)c1 1821081470 IVVPICFVTAHNAI-INIZCTEOSA-N 494.411 5.606 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)cc1 1821503846 QLPPXCQDZCRAHQ-QFIPXVFZSA-N 499.596 5.140 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1821988133 MLRTUZSMVUKHNV-INIZCTEOSA-N 465.570 5.116 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1)c1ccc(F)cc1 1822288655 PDUFYWDPJIPNHQ-AHWVRZQESA-N 487.579 5.361 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)sc2C1 1823073854 MEJPBJBOZKRXOH-QGKOQGRUSA-N 490.629 5.027 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823215572 VWXYPHWYVPQKPF-WAIKUNEKSA-N 497.555 5.417 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)ccc(F)c1F 1823215867 IHPUCEZMBKLWGK-OYHNWAKOSA-N 477.515 5.243 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)c2ccccc12 1823603065 QFTRDWWVPLBYCC-QHCPKHFHSA-N 457.578 5.046 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1823814085 MDBLAPHBXHOJQF-ZRJLEYOISA-N 463.666 5.183 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1823885277 NANAFUYOSABZQN-DEOSSOPVSA-N 459.590 5.262 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1 1824054916 PIUZJAOYILVXMJ-NDEPHWFRSA-N 471.645 5.052 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1824240469 AUVNYABDUHAKHK-SVBPBHIXSA-N 457.618 5.231 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1 1824537950 AWULKRFSTJCNOF-RSXGOPAZSA-N 479.690 5.245 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)n1 1825382917 HSXUMMRDVUYSGU-XMMPIXPASA-N 478.662 5.004 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)c1 1826683277 LRZFFXXPFNNDDM-QFIPXVFZSA-N 486.454 5.110 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1826948196 UAUFPTSEXWICMU-NEKDWFFYSA-N 477.693 5.439 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)ccc2n1 1828229809 QLGVZFLFXZGGJX-GDLZYMKVSA-N 494.639 5.281 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(c3)CCCC4=O)CC2)c1 1828246189 SKCSMDSCRGXQLR-PIKZIKFNSA-N 497.639 5.380 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)CC2)c1 1828339592 LXFKRSCFWTWHOV-VWLOTQADSA-N 494.010 5.316 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(C)nc2C)CC1)c1ccccc1 1829029452 AVZXPPPZWNSHCN-JWQCQUIFSA-N 477.674 5.190 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2onc3ccccc23)CC1)c1ccccc1 1829034614 APJWGCJYNHZZAK-RPLLCQBOSA-N 483.612 5.258 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(O)nn3)cc2)CC1 1829068632 IMGOXMIKMWOSMC-RUZDIDTESA-N 490.648 5.075 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)CC1 1829287639 ILQWYWIJMPTOPR-RUZDIDTESA-N 461.606 5.343 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1830017492 ZSSKBGGFMFGNJF-MUUNZHRXSA-N 484.644 5.096 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830169752 MADBXWLGXJJOPO-RUZDIDTESA-N 475.633 5.167 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Br)c2F)CC1 1830503042 GCIGPGFVJYWKFN-NRFANRHFSA-N 477.418 5.015 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)CC1 1830930661 HRBQUPPFSCBEFU-FQEVSTJZSA-N 492.845 5.393 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCN(c3ccc(F)cn3)CC2)CC1 1831198072 DNESPDLIHBQJGY-VWLOTQADSA-N 498.687 5.049 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1831443618 CABMFVLCVWPGNW-LCCNJJIFSA-N 484.509 5.550 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2c(C)cccc2C)CC1)C(F)(F)F 1831451405 TXGOTJLGNGIIQY-FQEVSTJZSA-N 468.585 5.134 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc12 1832632838 WQPZSWRACBBNGP-RBTNQOKQSA-N 482.628 5.651 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1832633093 CBUONAHGARYFBF-UQBPGWFLSA-N 495.570 5.462 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)CC1 1833076846 JYQGHYUYZDQSAD-UHFFFAOYSA-N 490.692 5.168 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 8750562 IJRBQCJHLLETMH-WNSKOXEYSA-N 471.989 5.262 30 20 JKED Cc1ccc(Cn2c(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)nc3ccccc3c2=O)cc1 8954310 ROXXQZJHXFKMGK-OAQYLSRUSA-N 482.609 5.181 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(OC)cc1 10406286 COQGDPMPFXYUES-CQSZACIVSA-N 478.496 5.158 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 10761909 VHHCBUSTRRYKCF-UHFFFAOYSA-O 476.062 6.793 30 20 JKED C=CCn1c(S[C@H](CCCC)C(=O)Nc2cc(C)on2)nnc1-c1ccc(Br)cc1 10928982 ISHVYBDZURPLRM-QGZVFWFLSA-N 490.427 5.480 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc3c(c2)CCCC3)c(C)s1 11083294 METOCQRJRDCUDJ-UHFFFAOYSA-O 453.628 6.030 30 20 JKED CC(C)CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O 11233150 URGJCJBMMCNVKO-OAHLLOKOSA-N 454.983 5.087 30 20 JKED Cc1c(-c2ccccc2)sc2nc(SC[C@H](C#N)CCC#N)n(-c3ccccc3)c(=O)c12 15238164 JWMMMJBSZKUXAS-SFHVURJKSA-N 456.596 5.958 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cccc(Br)c2)cc1 15247684 MDBZVRXARBXNPU-UHFFFAOYSA-O 482.467 6.357 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccc(OC)cc1 21337179 NGNPALJABIAQMY-UHFFFAOYSA-N 492.601 5.302 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1 22730753 XVYWIPNIPAVSDM-UHFFFAOYSA-O 465.642 5.910 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nc2ccccc2c1=O 23547100 PEEGPDQDIKHITC-OAHLLOKOSA-N 472.595 5.401 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)nc2ccccc21 28904667 JHWJSGNNFWOCCJ-UHFFFAOYSA-N 486.597 5.604 30 20 JKED CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2cc3ccccc3cc2c1=O 31747387 TYVGREGAUYHTPV-AWEZNQCLSA-N 474.611 5.111 30 20 JKED N#Cc1c(CCCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)nn(-c2ccccc2)c1N 33022720 YQBATNSRDAAPQP-UHFFFAOYSA-N 488.551 5.011 30 20 JKED C[C@H](Nc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1)c1ccccc1 109151915 OVMJPMZMVFXPKR-IBGZPJMESA-N 481.556 5.834 30 20 JKED C=CCN(C(=O)c1cnc(-c2ccccc2)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 109318368 DWXCUGITAUCSMW-UHFFFAOYSA-N 467.381 6.407 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1 195640052 YYIYVLKSTPXAIM-UHFFFAOYSA-N 485.634 6.641 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC1(c2ccc(F)cc2)CCOCC1 195645145 TUYRDHBUZCZXAU-UHFFFAOYSA-N 479.392 5.107 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 208771404 BEFAMHPQWLKXFE-XFFZJAGNSA-N 452.532 5.053 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)nc2C)n[nH]c1=S 303385349 XAVLRQLIROTEPI-UHFFFAOYSA-N 489.586 5.257 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1 409523004 RECVEHSDAOFJSZ-INIZCTEOSA-N 476.390 5.471 30 20 JKED C=CCc1cc(CNC(=O)N(CC)Cc2cc(Br)ccc2F)cc(OC)c1OC 409631494 OOALQBDFPIDGJD-UHFFFAOYSA-N 465.363 5.066 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(F)cc1 480975835 XCQRHHHIPRYGOG-DEOSSOPVSA-N 477.511 5.258 30 20 JKED CSc1nc(O)c(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1C#N 497878738 BKMWLZIVHJCXSI-UHFFFAOYSA-N 456.321 5.188 30 20 JKED COc1ccccc1[C@@H](CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)N1CCCCC1 498730764 QUMJWMIOZBYWIV-AREMUKBSSA-N 485.632 5.046 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCn1cnc2sc(C)c(C)c2c1=O 501157270 BLBISGKNLWVKMK-UHFFFAOYSA-N 474.561 5.018 30 20 JKED COCc1nc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2c(-c3ccccc3)csc2n1 502316382 JQCIPZSNCANESH-UHFFFAOYSA-N 483.597 5.231 30 20 JKED Cc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(OCc2ccccc2)c1 502662740 AIXJLQNPBKDOFT-UHFFFAOYSA-N 468.557 5.328 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 503317186 OYCDTPAHMYAARM-UHFFFAOYSA-N 461.949 5.168 30 20 JKED Cc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c12 503560823 CCHSWUKDODIVCJ-UHFFFAOYSA-N 472.932 5.091 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 509717237 UGUWBPZCUHMYOK-HJHGFDQJSA-N 454.530 5.642 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)cc2F)c1 509946398 SBDJCZPUKGFZDZ-DEOSSOPVSA-N 465.912 5.535 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1Cl 510060148 XVYHMRXKITYJGJ-QHCPKHFHSA-N 494.973 6.060 30 20 JKED C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@H]2CCSc3ccc(Br)cc32)c1 510376639 LKWURDLLCCYIEC-IBGZPJMESA-N 475.408 5.038 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 511544978 HGDJAQNQPHDQOQ-UHFFFAOYSA-N 456.527 5.992 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 511759601 FJDHHTMCZJFZSL-UHFFFAOYSA-N 451.526 5.204 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 513062183 FHMXGCYAXVRWDY-OAQYLSRUSA-N 458.537 5.119 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 514544331 TWVODOXXFNLQQW-LJQANCHMSA-N 465.893 5.563 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)nnc1-c1ccncc1 514586742 LCZFKMQKEHAHEY-JOCHJYFZSA-N 476.005 5.960 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Br)ccc2Br)o1 515643641 DXRSZCYXXMKVAS-UHFFFAOYSA-N 476.124 5.508 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(-c3ccccc3)nc21 516270211 PNEJTFKLRQDIEN-OAQYLSRUSA-N 474.549 5.603 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 516747407 WTNNLUPBOSFXJG-NRFANRHFSA-N 468.538 5.262 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccccc4SC[C@H](C)C#N)cc3C2=O)c1 517457368 PBIDFLHGDZQFFH-QGZVFWFLSA-N 469.566 5.608 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)s2)c(C(F)(F)F)c1 518699777 OKKVXWKHFPEISX-LJQANCHMSA-N 498.530 5.115 30 20 JKED CCC[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N1CCc2sccc2C1 520965113 YSHMOSFSZSICKT-RUZDIDTESA-N 459.615 5.042 30 20 JKED COc1ccc([C@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)c2c[nH]c3ccccc23)cc1 521207954 RVZZWEMBUIBUBX-SANMLTNESA-N 493.611 5.102 30 20 JKED N#CCCn1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 521326698 GMTOWFGFCQGJFP-MRXNPFEDSA-N 476.905 5.125 30 20 JKED COc1cc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1OCC(F)(F)F 522202898 FAHJKRDINLPYPO-ZDUSSCGKSA-N 452.498 5.266 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 523895275 GCQCDHVQLZHZBH-FQEVSTJZSA-N 483.572 5.490 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nnn(-c2cccc(Cl)c2)c1C 524388219 QCGOQLYWJMQFGR-UHFFFAOYSA-N 457.921 5.241 30 20 JKED C=CCn1c(SCC(=O)Nc2sc(C)nc2-c2ccccc2)nnc1-c1ccc(Cl)cc1 590243989 RICYEELBUNMEDK-UHFFFAOYSA-N 482.034 5.947 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)c(C#N)c1C 590783435 ALZHQFFJIMKTCQ-UHFFFAOYSA-N 480.571 5.547 30 20 JKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590828192 SVEAQCYCRYOWAE-CHWSQXEVSA-N 452.345 6.226 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)cc1 603706192 MQYRHEYAUTYURN-UUOWRZLLSA-N 459.615 5.907 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)c1ccc(C#N)cc1 603737630 VRYUTCCFEHOTQJ-INIZCTEOSA-N 451.389 6.104 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 604003683 SMFJQQNAJGJJEY-UHFFFAOYSA-N 468.509 5.765 30 20 JKED CCOC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1cccc(OC)c1 604363555 HRWYZTFYNGFYJE-RUZDIDTESA-N 473.529 5.484 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 604439271 GZMYGDIOPFURIQ-JOCHJYFZSA-N 494.620 5.790 30 20 JKED CCOc1c(OC)cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609079189 OCOWGPPPXZFOSK-UHFFFAOYSA-N 475.545 5.183 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)C2)c1 609173741 WVHFUXQUWVJARA-LSYYVWMOSA-N 481.596 5.116 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1 609175813 GNDSAGOCXLNTBA-UHFFFAOYSA-N 453.498 5.716 30 20 JKED Cc1ccc([C@@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2ccc(F)cc2Cl)cc1 609374223 KSJXDPCFJNUTIX-RUZDIDTESA-N 452.961 5.353 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(OC(F)F)cc1 609400915 DUIJNHMEAQWDNL-GFCCVEGCSA-N 487.450 5.128 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C 612789944 MIAATRXZWWDMNE-SFHVURJKSA-N 469.832 5.133 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613319232 ACNVKTLPQQAJHJ-OAHLLOKOSA-N 458.008 6.308 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 613319862 NOEUWPUAONYQFK-HXUWFJFHSA-N 483.984 6.211 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)sc2n1 613404389 LKDDYHZDQZQCQO-NSHDSACASA-N 492.504 5.273 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 613405043 UCCJALTZPCUHBA-KRWDZBQOSA-N 465.456 6.057 30 20 JKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nc2ccccc2n1C(F)F 618549761 YSAUCVHOHVIOFN-GARJFASQSA-N 458.353 5.265 30 20 JKED COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)[C@H](C#N)c3nc(C)cs3)cc2c1 620347546 LYYZAXRQDFBTKF-QHCPKHFHSA-N 464.550 5.956 30 20 JKED COc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 642710747 KNQFYANBDDODIP-RKDXNWHRSA-N 452.317 5.745 30 20 JKED Cn1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1-c1ccccc1Br 726323201 ZYEUCKOROMZYDA-AWEZNQCLSA-N 469.289 5.689 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 726394878 WQUYMPJCXPVJIE-DYESRHJHSA-N 474.026 5.342 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(OC(C)(C)C)cc1)c1cccs1 726414904 DGGYKHKXMYVZSE-CIKHDRDXSA-N 485.675 5.155 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccccn3)C2=O)c1 726422376 VRWMFTRZVOMJPA-ULOJKKRISA-N 478.643 5.350 30 20 JKED CC(C)(C)c1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)cc1 726570620 HIMLPTDSDXPMRU-UHFFFAOYSA-O 464.998 5.826 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc2c(c1)OCCO2 726571047 CUNZZKUJLXCCNJ-UHFFFAOYSA-O 478.981 5.156 30 20 JKED Cc1cc(C)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cc(O)ccc2C)cc1C 726572253 WLMLTXZJYMFDTN-UHFFFAOYSA-O 464.998 5.762 30 20 JKED O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 726720560 XLOBAUIDINSPCU-BETUJISGSA-N 489.407 5.029 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)c(Cl)c1 726892963 XHPOEXGKMIIGTD-QFIPXVFZSA-N 498.004 5.109 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2cccc(Cl)c2)cc1 728423185 PQYJXWAJNXGBJF-HSZRJFAPSA-N 499.983 5.244 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(CCCCC#N)C2=O)cc1 728780367 RVIXAMHWQXKDFK-OAQYLSRUSA-N 452.555 5.097 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(CCCCC#N)C1=O 728780406 SICXPUCKKGWTNN-NRFANRHFSA-N 499.036 5.620 30 20 JKED N#C[C@H](C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 729187245 WXCPINIYNUBDSW-IEBWSBKVSA-N 488.421 5.508 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(F)c2)cc1OC 729244816 JRXUDNFFIXSLQG-GUJBEJLQSA-N 464.512 5.585 30 20 JKED Cc1ccc(C)c(-c2nn(CN3CCC(Oc4cccc(C#N)c4)CC3)c(=O)c3ccccc23)c1 729467178 QWVRWEIBUSRZGR-UHFFFAOYSA-N 464.569 5.053 30 20 JKED COc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)c(F)c2)c(F)c1 730633292 YXJCHZMQVBOCMD-KRWDZBQOSA-N 494.494 5.141 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3cccnc3)C2=O)cc1 730942545 RMZIYFWVHQVVGU-HJPURHCSSA-N 490.560 5.145 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2cc(Br)ccc2o1 731068673 HYEBZWDUNYBEGX-ZDUSSCGKSA-N 473.348 5.243 30 20 JKED CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731399856 GPRNSNWRIJOPKA-HXUWFJFHSA-N 450.539 5.214 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2cc(C)ccc2F)cs1 745005427 DNKWVLPOTKMDRU-UHFFFAOYSA-N 495.527 5.615 30 20 JKED Cc1ccccc1-c1nn(CN(Cc2ccc(C#N)cc2)C(C)C)c(=S)n1Cc1ccco1 746033703 VKKDNYHLLBHHPQ-UHFFFAOYSA-N 457.603 5.771 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cc(C)cc(C)c1 746697772 LUDORKIBNSVPLL-JOCHJYFZSA-N 489.588 5.359 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)s2)ccc1S(C)(=O)=O 747061334 HAYHVEHREMMFQB-CSKARUKUSA-N 466.502 5.742 30 20 JKED N#Cc1ccsc1C(=O)Nc1ccc(Cc2ccc3c(c2)CCN3C(=O)c2sccc2C#N)cc1 748287859 JLKAFPOEHCHFSX-UHFFFAOYSA-N 494.601 5.599 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 749049409 QWSQHMOLKMOXSZ-LJQANCHMSA-N 461.953 5.102 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(SC(F)F)cc1 799209747 CRLADEYXQCOZPC-KRWDZBQOSA-N 499.992 5.644 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(CC)cc2)N(CC(F)(F)F)C1=O 799220509 DKFYKUXWXRXWRU-HXUWFJFHSA-N 493.551 5.560 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(F)(F)F)c(Cl)c1 799223818 LTANFIOAAQYSCW-INIZCTEOSA-N 487.906 5.619 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 837882226 MFJYWQYCXUMVJY-IIBYNOLFSA-N 464.978 5.457 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1Cl 893328016 DOTKUDDMZFCVMU-UHFFFAOYSA-N 486.018 5.524 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccc(Cl)s2)C1=O)NC1CC1 914538008 IIHGWVGINOARPJ-IBGZPJMESA-N 470.019 5.355 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 914956597 LSMJSENBYYOBAN-UHFFFAOYSA-N 478.508 5.305 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104578 SDNLDMUIGYSPET-CZUORRHYSA-N 477.533 5.560 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CC1CCC1 915111674 OKPYRBMFXKHLTH-JOCHJYFZSA-N 451.592 5.072 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 915351921 DJBGNPVZOKFXLR-AREMUKBSSA-N 453.542 5.477 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 915467935 SSJMVHTVFURHQB-UHFFFAOYSA-N 491.725 5.150 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1cccc(OCc2cccc(C#N)c2)c1 915956841 DIVYIHPVRGSSFI-UHFFFAOYSA-N 469.570 5.096 30 20 JKED O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc(OC(F)F)cc1OC(F)F 916140121 BIDXZZALIZQVLN-VMPITWQZSA-N 476.426 5.170 30 20 JKED CCOc1cc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C\c3ccc(O)c(OCC)c3)C2=O)ccc1O 916154603 NJFLTWMBVVKFDB-PMICNGQHSA-N 495.575 6.187 30 20 JKED Cc1sc2ncn(N=Cc3cccc(NC(=O)c4ccccc4Cl)c3)c(=O)c2c1-c1ccccc1 916283433 AJCWDWBSHIPRLM-UHFFFAOYSA-N 498.995 6.221 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)c2)cc1 916450036 YEGJCRVUAQREBV-UHFFFAOYSA-N 486.549 5.151 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 916911834 CVQVLJDUEBCBFF-GOSISDBHSA-N 465.962 5.486 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)cs1 916927684 BIAWKBVWFIVYNQ-KRWDZBQOSA-N 460.342 5.299 30 20 JKED COc1ccc(C)cc1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916977785 YVXPDPVYRYPZPL-AEFFLSMTSA-N 465.962 5.010 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 917042898 ITLZWDHRCVOVAC-SMDDNHRTSA-N 450.308 5.551 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1=S 917450180 JWPCTGFPPBTFEU-UHFFFAOYSA-N 481.475 5.336 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1 917560302 LATLWMZLQHHGED-FLIBITNWSA-N 482.989 7.245 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(C)c(C)c2)n1 917660743 LEWBLSKDQGNIBX-HSZRJFAPSA-N 494.567 5.446 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2F)n1 917662868 GMXOAQXRYJEAQY-DEOSSOPVSA-N 499.571 5.238 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 917664555 ZFJCMHJHOLTODT-HXOBKFHXSA-N 491.592 5.008 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cccc2c1OCCCO2 917962048 JVRHIQAUKWLTBO-HSZRJFAPSA-N 478.545 5.315 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918418439 AJMVQZHRPBCUOJ-AOMKIAJQSA-N 466.368 5.807 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)o1 919512719 KMHIVOFZGQSLAE-UHFFFAOYSA-N 464.474 5.262 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)n1 919525834 QAEOXUOOBKPKOO-AWEZNQCLSA-N 451.356 5.520 30 20 JKED CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 919558839 WFFPJVVMRNFIAL-UHFFFAOYSA-N 486.355 5.640 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cs1 919637426 NCNFEHXUUWXATM-HSZRJFAPSA-N 463.559 5.155 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 919815358 XNRJCMCXJJGKEZ-MHZLTWQESA-N 485.543 6.522 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2cc(C)nc(C)n2)c(OC)c1 920108284 SQAUMELHVWKFBB-JOCHJYFZSA-N 454.530 5.068 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1786208300 YGJZWJGGNZNFLE-KSEUIEODSA-N 484.512 5.276 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1 1786374182 JPDCGJICGGRINV-HNNXBMFYSA-N 464.459 5.183 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4scnc4C4CC4)cc3)CCC2)ccc1F 1787186622 UTWZYHJAIOXPLZ-UHFFFAOYSA-N 474.561 5.022 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)no1 1787545865 IGKTVHRXAHGEIV-UHFFFAOYSA-N 462.937 5.385 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Oc5ccccc5)cc4)CCC3)cc2)CC1 1787880560 AWKWIDSCKQXYCF-UHFFFAOYSA-N 451.526 5.530 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)[nH]c2c1 1788975154 TZXUPUGURUCIOL-UHFFFAOYSA-N 478.552 5.304 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789073620 AVNZEEYGGMDTBP-RWPZCVJISA-N 474.948 5.281 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CC=C(C)CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1789114843 SCDAABNOLCJAIX-URXFXBBRSA-N 495.664 5.726 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccc(Br)cc34)cc2)CCC1 1789194464 VEPSXQMNYQKJTE-UHFFFAOYSA-N 492.417 5.411 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1789493709 AQOVQPTUXABBCU-QFIPXVFZSA-N 466.965 5.407 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)CCCCn4cccc4)cc3)CCC2)ccc1F 1789604206 XMIZUYQNDTULOX-UHFFFAOYSA-N 472.564 5.046 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3[nH]nc4c(Cl)cccc34)cc2)CCC1 1790371445 BTHRTFBTKVXFOT-UHFFFAOYSA-N 472.923 5.104 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1 1790566562 BKPNGQJSTNMEFK-HNNXBMFYSA-N 455.605 5.511 30 20 JKED CCc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790764018 LANCCLUNPJLFBH-UHFFFAOYSA-N 458.949 5.231 30 20 JKED Cn1ncc2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5Cl)cc4)CCC3)ccc21 1790768005 WSDOPNZBFGEHED-UHFFFAOYSA-N 483.959 5.160 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)cc2)CCC1 1790824935 WRHNFVWPKNEILG-UHFFFAOYSA-N 482.506 5.294 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(CC)nc4ccc(Cl)cn34)CCC2)cc1 1791247796 HUOHDRVWXLJGOK-KRWDZBQOSA-N 464.997 5.510 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CN(C(=O)OC(C)(C)C)C3CCCC3)CCC2)cc1 1791583116 NJGAYTUODPJXJP-UHFFFAOYSA-N 481.637 5.104 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3c(Br)cccc3c2)c1 1798135022 GLMQTPYYRLIORH-KOUNCHBCSA-N 488.385 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(F)c(Br)c1 1799825067 FXQMIYGEAJPPEL-REPLKXPHSA-N 479.434 5.151 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Cl)cc(C(F)(F)F)c1 1802461896 DFDATEWPLWUSGY-PLACYPQZSA-N 468.947 5.308 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)[C@H]1c1cccnc1 1802492385 MYSHPJHQLHGDIK-BVAGGSTKSA-N 465.613 5.160 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(SC)cc2)[C@@H]1c1cccnc1 1802501294 KQVIOCFTEMZDKI-WIOPSUGQSA-N 465.663 5.044 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803999413 KNPFAAFRZHTRCF-OQBDSEHNSA-N 493.476 5.031 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808487601 BRXHNOBLDAXEEN-AUSIDOKSSA-N 499.945 5.526 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1808852041 BHFGADCUVODTOK-NRJQMVOHSA-N 499.036 5.070 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1C 1810271062 CKFXMDPWQSUWHF-VPUSJEBWSA-N 475.709 5.069 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810408268 DGEIWVBJOMLYQM-DEHIZFPYSA-N 491.708 5.143 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[C@@H]1c1cccnc1)c1ccccc1 1810446943 ILMMZXYBTBCAKU-BXDMULLUSA-N 483.656 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)[C@H]1c1cccnc1 1810503687 UZPPHZZFUBILJZ-AHWVRZQESA-N 475.633 5.182 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810534806 FLFOQZMITVTBIA-ILBGXUMGSA-N 479.690 5.489 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1811207625 RDNWKBMICXYEEK-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1811695991 AIZGYTCGIDPYIM-LAUBAEHRSA-N 490.431 5.406 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811719025 QNTYZZSVVAFATJ-BYXVTNLJSA-N 489.641 5.148 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1)c1ccccc1 1811818286 INCKHZNAJSYWEF-DOEKTCAHSA-N 486.015 5.252 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)[C@H]2c2cccnc2)cc1 1811889647 QKJAFHIQYJITHI-JPYJTQIMSA-N 497.357 5.033 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1812958243 KRDYSBNDNPNRNQ-AHWVRZQESA-N 483.603 5.274 30 20 JKED CC(C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1)c1ccc(F)cc1 1812959365 FDUPUCFDBRIWIC-FPNNDXFKSA-N 498.602 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1813941717 OBAUIKAHPSGWLE-JTSKRJEESA-N 475.967 5.325 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(Cl)cc3F)[C@@H]2c2cccnc2)cc1 1813973297 SBSQXDPMXMBFML-JPYJTQIMSA-N 497.357 5.033 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3CCCCC3(F)F)n[nH]2)c1Cl 1815352280 LIXAVHODHHFZLR-WMZOPIPTSA-N 475.927 5.066 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc3ncccc3c2)n[nH]1 1815476591 NQINNMCNKWTEOP-QHCPKHFHSA-N 459.594 5.185 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1815658641 GHAZTSYQWPDGQX-XMMPIXPASA-N 476.646 5.415 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816201697 MNXDDNHPNDWMTR-XUZZJYLKSA-N 475.568 5.618 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818605275 AAVSAWMABQBAFE-GOSISDBHSA-N 487.025 5.567 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224980 ZHTILPBTUHGIBD-HXUWFJFHSA-N 451.958 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)cc2F)[nH]n1 1819300390 AADXZLHDXDBIFU-OXQOHEQNSA-N 489.389 5.386 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1819309371 TXIDCTDKCZMDRM-PZJWPPBQSA-N 485.510 5.374 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384025 FEPBHDCDQBUZCH-QHCPKHFHSA-N 494.712 5.094 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)[nH]n1)c1ccccc1 1819519644 WWXRUNADVFCAGH-AZUAARDMSA-N 464.953 5.159 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)oc2ccccc12 1820219485 SDUODDSTFYOHQW-FQEVSTJZSA-N 487.947 5.609 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)c1 1820469650 LQFUJSZXYOTALY-HXUWFJFHSA-N 485.441 5.059 30 20 JKED Cc1cccc(C)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1821193352 VTJCICDJSJNDAI-XXBNENTESA-N 455.562 5.273 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)c(Cl)c1 1821278239 IUGAKZBVTZFQQI-ZEZYUPADSA-N 465.966 5.016 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1821750794 JMPOAZIIQSCKTC-XEIBQFTQSA-N 497.599 5.455 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n[nH]2)cc1C#N 1822329129 LXRFWKNIJQYTDJ-JBRSBNLGSA-N 497.599 5.178 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)[nH]n1 1822384418 CUGLDRNWVIYJCP-HTAPYJJXSA-N 480.659 5.326 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1822582649 QFKNDHYKEULSEC-IBGZPJMESA-N 455.628 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ncccc3C(F)(F)F)[nH]n2)c1 1823217490 LDNIHCQRQFHMRT-FOIQADDNSA-N 496.493 5.070 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c1 1823218689 UMYGDALGXCTKAA-GKGXRWQJSA-N 459.594 5.479 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCCCCCC(=O)OC)n[nH]1 1823533839 UUUBAEFOXISOHT-QHCPKHFHSA-N 486.657 5.279 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@]3(F)CCCC=C3F)n[nH]2)cc1C#N 1823588851 PANSXTIMXLGCIF-RXFWQSSRSA-N 497.546 5.120 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1824499427 GNKOBJKQLBHTDX-QHCPKHFHSA-N 486.056 5.346 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1824511595 LLKVLBRAPIJFQA-JPYJTQIMSA-N 493.475 5.236 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC(F)(F)F)CC2)c1Cl 1824875488 NUWOZYHWBHCPPV-LJQANCHMSA-N 469.935 5.178 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Br)c2CC)CC1 1824961030 DWAYGRIEPHRLOW-QFIPXVFZSA-N 493.511 5.164 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)cc1 1825092274 OAALLGFLLYMVRC-UTDJSRPSSA-N 494.639 5.305 30 20 JKED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c3ccccc3n3ccsc13)CC2 1825124099 AOSYQFJWKCMXMD-HUUCEWRRSA-N 464.616 5.049 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1825785477 ZZKXGFUHOVCSTA-NRFANRHFSA-N 456.011 5.129 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)cc1 1827331846 IWFRGJVLZQFPJI-QRGYCXFASA-N 498.627 5.002 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827332763 BONVIDDMCHIJSG-XMMPIXPASA-N 481.587 5.502 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683971 SIGRSFGIKARVJH-JJNABOQBSA-N 494.657 5.046 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc([C@H](C)C#N)c3)sc2C1 1827691800 VZBYFLPUQLJEBY-FUHIMQAGSA-N 490.654 5.177 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)COC3)CC1)c1ccccc1 1828236908 MEUAZDGDJGQGCA-FQLXRVMXSA-N 484.640 5.147 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1828608844 PIURBSRMPRCFSA-JOCHJYFZSA-N 488.554 5.009 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 1828905313 NMFJCVWYNHBTLN-HHHXNRCGSA-N 489.736 5.519 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1)c1ccccc1 1829030828 UAFOZMMVAQBARM-SVBPBHIXSA-N 488.676 5.069 30 20 JKED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CCCCCC(C)(C)C)CCN2C(=O)OCc1ccccc1 1829317739 FGKDKBDRYFPCNF-LJAQVGFWSA-N 497.680 5.011 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419408 RITIXLGTWOWZTN-FQEVSTJZSA-N 473.589 5.255 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829573372 PLLJLSUSTJSTAX-XUZZJYLKSA-N 473.617 5.669 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)c1 1829955099 KYLLQFOLLOJLRX-HHHXNRCGSA-N 484.575 5.240 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)cc3F)CC2)c(Cl)c1 1830093358 TWNIFHVSGCZHQX-HSZRJFAPSA-N 471.935 5.037 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cnc4ccccc4c3)CC2)cc1 1830627655 HMUCVKZBFLWJDD-LJAQVGFWSA-N 494.639 5.167 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720919 NCOWQZRIRNSQOK-HXUWFJFHSA-N 465.972 5.126 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830755891 ODQFVGJHEGRKKK-XMMPIXPASA-N 483.534 5.433 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1830770449 XEPUJIGEDGIQLS-AREMUKBSSA-N 482.584 5.069 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3ccc(Br)cc23)CC1 1830827813 WREYNQQAGYTMRJ-UUOWRZLLSA-N 498.465 5.443 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831305923 GUUSAMTWENEWHS-HYBUGGRVSA-N 488.072 5.182 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1831373611 GDSIKHHCOYBIJP-HRAATJIYSA-N 461.990 5.002 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1832028502 VICWVZDXDORLDN-OAQYLSRUSA-N 472.054 5.377 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c1Cl 1832564253 MMPDILOPQDAENG-OAQYLSRUSA-N 473.404 5.049 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C)c3Cl)CC2)c1 1832603040 HYXXSYOCEKLMBM-XMMPIXPASA-N 480.008 5.076 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CC1 1838694667 BXZFYRDOICQTFX-UHFFFAOYSA-N 494.582 5.048 30 20 JKED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2ccccc2)C1)c1ccc(O)cc1 1844868092 HUQMJACQGIJQQQ-DEOSSOPVSA-N 494.591 5.199 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1847265078 MIXNTEPTSDTWCJ-VJBMBRPKSA-N 483.653 5.331 30 20 JKED C=CCn1c(SCc2ccc(F)cc2Br)nnc1[C@@H]1COc2ccccc2O1 9756274 FJUJSIIFLVGBAJ-SFHVURJKSA-N 462.344 5.171 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)c1C 10167753 CVBBJORUXABMBY-UHFFFAOYSA-O 453.587 6.014 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10172388 PTQCYTHFRMFSRI-UHFFFAOYSA-O 484.645 6.335 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173255 BPLGYHFUDDDLCY-UHFFFAOYSA-O 465.642 6.541 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 10179102 RWJZHTMCFUJGLM-UHFFFAOYSA-O 487.215 6.344 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1C 10756861 UVEHPAWWUQFVLK-UHFFFAOYSA-O 470.033 6.732 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)s2)cc1 14621537 ZWNQTLPASKJPNV-UHFFFAOYSA-N 491.212 5.963 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 15225664 OQRWVNIBXRSAKV-SSZFMOIBSA-N 485.590 5.902 30 20 JKED Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)sc2c1 20001728 DIXSVYCCJFJFQN-UHFFFAOYSA-N 470.598 5.256 30 20 JKED C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C#N)c2C1 20865097 YDFLOFZKELLHCY-HZGBGQKMSA-N 483.549 5.679 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nnc1-c1ccccc1OC 20992280 HMMRSJBDPUTZNZ-UHFFFAOYSA-N 487.610 5.397 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cccc2c1=O 21844551 HKWPVWNIRYIGFU-MRXNPFEDSA-N 498.560 5.374 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1/C(O)=N/c1nnc(SCc2ccc(F)cc2)s1 21951093 PVHJALVVOCNXSL-UHFFFAOYSA-N 474.564 5.821 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 22139663 MCEZTNJBESGOCI-UHFFFAOYSA-N 470.472 5.784 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(CC)cc2)cc1 22732599 HXDHSTGRBLEDMT-UHFFFAOYSA-O 484.439 5.749 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 23518760 XCZGGJAVZCSMJP-RBUKOAKNSA-N 494.636 5.419 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1 24014434 ZJRGLJCSKWMBSJ-HXUWFJFHSA-N 471.586 5.572 30 20 JKED C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(OCc2cccnc2)cc1 32252730 DXPUSJSRLCWZLV-NRFANRHFSA-N 463.537 5.602 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CSc2nncn2-c2cccc(Cl)c2)cc1 68708065 MTVPUJHUARBVNN-UHFFFAOYSA-N 491.979 5.253 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1Sc1nc(C)nc2sc3c(c12)CCC3 105330654 JDCSFJASTWKVRU-UHFFFAOYSA-N 453.568 5.135 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 105809361 FJRRXKYLGNATOV-UHFFFAOYSA-N 464.934 5.151 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2Cl)cc1 491024903 ANYATQVFSVONMU-UHFFFAOYSA-N 474.948 5.887 30 20 JKED C=CCc1cc([N+](=O)[O-])ccc1OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 498096327 YBZADCADQDOFON-UHFFFAOYSA-N 477.464 6.062 30 20 JKED CCCN(CC#N)C(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 498099805 YPCNDDWWLJZMNS-UHFFFAOYSA-N 496.032 5.107 30 20 JKED Cc1cc(C)n(-c2ccc(CCNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)n1 502493845 JBBNMOMUQAXNIP-UHFFFAOYSA-N 479.584 5.498 30 20 JKED CC(C)NS(=O)(=O)c1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 502502481 PPJIDHAEUYZZJC-QHCPKHFHSA-N 497.020 5.004 30 20 JKED COc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)cc1F 503183093 XEUYIZNUFDWULM-UHFFFAOYSA-N 482.743 5.358 30 20 JKED Cc1nc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)sc1SCC#N 504690781 CLCXSLKXDDVYSA-UHFFFAOYSA-N 463.382 5.056 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)c2C#N)C1 506602805 JTJHEEHSEJAQBA-NRFANRHFSA-N 477.674 5.581 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 507838415 SKCQQYBDLRUKQO-HNNXBMFYSA-N 453.445 5.400 30 20 JKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510046877 ZPCGDEWQMVDTHK-OAQYLSRUSA-N 467.356 5.751 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(NC(=O)C2CC2)cc1 511481300 ZNLFABVPVYURJX-QGZVFWFLSA-N 467.529 5.042 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)o1 513692152 JSHNPYPKBZSJOG-ZDUSSCGKSA-N 450.545 5.099 30 20 JKED C=CCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514301813 YPEKFGRHSLTTMJ-UHFFFAOYSA-N 475.551 6.172 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)c2)c1 515447695 CDXYLOSQFRJBTQ-UHFFFAOYSA-N 485.931 5.475 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)n2)cc1 516713770 IXZTXSPEKUCPHA-QFIPXVFZSA-N 467.550 5.870 30 20 JKED CSc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)cc1 517462004 YBEOVWRJQYUIDF-AWEZNQCLSA-N 479.549 5.425 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 517533375 SYRHVDCUNYSRJY-AOMKIAJQSA-N 456.011 5.720 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(OCC(F)(F)F)cc1 517869116 YIBMVSFMQFEVFR-GFCCVEGCSA-N 461.362 5.323 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccccc1SC[C@H](C)C#N 518669051 ZHEKCSMCZTVBKP-MRXNPFEDSA-N 466.584 5.863 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 518756106 YVRUVJQCDVJWEI-HNNXBMFYSA-N 477.417 5.378 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccccc1 519415759 VSUXMTRBUKVMCF-ZWKOTPCHSA-N 465.648 5.899 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 519876422 FWIUFHIZWSTAGQ-XRKRLSELSA-N 463.581 5.253 30 20 JKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c1 520292535 OAZZHTNEACFVEK-SQJMNOBHSA-N 469.976 6.549 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520559781 NYHRUBBOEKCDQG-QHCPKHFHSA-N 479.989 5.494 30 20 JKED N#Cc1cccc(COc2cccc(CN[C@@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)c2)c1 520949464 CRXMTFIAZLPIGM-SANMLTNESA-N 493.529 5.609 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 521344165 KOWPBOYGWOOODM-IBGZPJMESA-N 455.583 5.468 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cn2)c1 522323726 AWIRAFKCDJGNGB-UHFFFAOYSA-N 496.542 5.805 30 20 JKED N#Cc1ccsc1NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 524168208 LBDXJXVNQLJUJD-UHFFFAOYSA-N 470.398 5.584 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc(OC)c1OC 524246587 WMNLOHVZBGOSDR-KRWDZBQOSA-N 496.976 5.069 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1 590376746 BWQPZKPRXXCDOK-INIZCTEOSA-N 450.354 5.315 30 20 JKED Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)nc2n1 602738820 BMIUNJWWVIRFOC-UHFFFAOYSA-N 497.609 5.281 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(Br)cc1Cl 603601306 WFECAFMKHAJFJU-UHFFFAOYSA-N 472.726 5.487 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1 603650060 VIYKFOHLEZUPOS-UHFFFAOYSA-N 494.418 5.221 30 20 JKED N#Cc1c(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)sc2c1CCC2 603750113 FGFHAEYLGGEKMT-UHFFFAOYSA-N 480.387 5.304 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1Cl 603758875 MGJZJHRDIFPMDX-VWLOTQADSA-N 491.934 6.048 30 20 JKED Cc1nc(NC(=O)c2cccnc2SCc2cccc(Br)c2)sc1SCC#N 603775616 XCXPCQGHIXBYGU-UHFFFAOYSA-N 491.461 5.769 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2cccs2)cc1 603801780 MMHAZIURESRIFG-DFBJGRDBSA-N 459.619 5.149 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 603897007 IBOTYANJFDEVLU-UHFFFAOYSA-N 487.507 5.407 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1C 604449824 MLZOXGNOYXCDRC-UHFFFAOYSA-N 482.613 5.352 30 20 JKED Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 608876022 ADNSWHMCQLRBES-RUZDIDTESA-N 485.588 5.215 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 608916122 LADNOVZOIFCIMH-UHFFFAOYSA-N 469.372 5.518 30 20 JKED Cc1ccc(Sc2ccc(NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)c(C)c1 608992959 QAULJADMYQMUKN-UHFFFAOYSA-N 457.603 5.512 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)CC1 609023673 RYVVTFRZZUOJSL-DEOSSOPVSA-N 499.521 5.068 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc(-c4cccs4)no3)cc2F)c1 609104300 CUPXTZYZGBZBJE-UHFFFAOYSA-N 462.506 5.349 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609110904 YTNKGIYHCIBBEU-XMMPIXPASA-N 491.588 5.075 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 613414790 CJPSLPLPDITRLQ-RBUKOAKNSA-N 490.604 5.693 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2ccc(Br)cc2n1 620304528 JMTIRYHJEAMXCY-HNNXBMFYSA-N 484.325 6.198 30 20 JKED C=CCN(C(=O)c1cc(S(C)(=O)=O)ccc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891485 RMPGTDMQXUXGIO-UHFFFAOYSA-N 488.634 6.022 30 20 JKED Cc1ccc(C(=O)OCCOc2c(C#N)cnc3ccccc23)cc1NC(=O)c1ccccc1F 726363193 UJRSDYHWLJBTKJ-UHFFFAOYSA-N 469.472 5.042 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414404 AQLPEGUPTFXCIF-NTKDMRAZSA-N 497.661 5.333 30 20 JKED Cn1nc(Br)c2c(NN=Cc3sc(Nc4ccccc4Cl)nc3Cl)ncnc21 726741553 OXJSAIUPQYUZQB-UHFFFAOYSA-N 498.197 5.079 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1Cl 726888840 CHZFYYLVELIPKP-HXUWFJFHSA-N 487.940 5.241 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2Cl)c1C 727252549 GXMKGGZFKZNXGJ-QFIPXVFZSA-N 496.036 5.334 30 20 JKED COC(=O)Nc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1F 727594723 KMKWXFJHMMXGJH-UHFFFAOYSA-N 450.445 5.249 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc(C)c3)c2)cc1 727628198 PNZWDOGGZVWTBW-AREMUKBSSA-N 454.526 5.057 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 728777665 MIWQISSWMXTPCK-LJQANCHMSA-N 458.946 5.133 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1 728778182 QYIZXURIKPMXBA-OAQYLSRUSA-N 470.545 5.236 30 20 JKED COc1cc(/C=C2/Cc3c(C)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 729151654 UXJHIKADYARIMA-PDGQHHTCSA-N 481.470 5.862 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cc(F)ccc1F 729632978 UJUGHUYQGGWGHS-JOCHJYFZSA-N 494.498 5.136 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)cc1F 730444245 KHPWRCGVQWCEFI-JOCHJYFZSA-N 498.555 5.081 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C/C(=O)c1ccc2c(c1)NC(=O)CO2 730589582 XIGZFLOSEBGKIX-VOTSOKGWSA-N 461.827 5.080 30 20 JKED N#CCOc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)c1 730746985 WEYZNVFVXRFQKT-UHFFFAOYSA-N 489.763 5.113 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CC2CCC2)C1=O)Nc1cccc(O)c1 731304504 RTVNPZNUHXSMDV-IBGZPJMESA-N 491.585 5.467 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)CCc2ccco2)c1 731313539 ZCQGFGVUKHVGHC-GAJHUEQPSA-N 495.576 5.414 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cc(OC)c1OCc1ccccc1 732763817 JQBNPGRTIFKZLR-UHFFFAOYSA-N 460.559 5.021 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744935915 JIHXUYRZDDDURE-LLVKDONJSA-N 450.734 5.731 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2cscn2)C1=O 747601781 HKROQNWRQYXGTO-JOCHJYFZSA-N 494.642 5.401 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)OCc1nnc(-c2ccc(Br)s2)o1 749945577 OYGZAXQORNXIIU-UHFFFAOYSA-N 466.316 5.456 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)OC(=O)c4ccc(NC(=O)CC#N)cc4)cc3)sc2c1 757703307 PDCLRIWATDJZEC-QGZVFWFLSA-N 498.564 5.308 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c2ccccc21 789321755 KEIPYOFVIFCAJF-UHFFFAOYSA-N 496.906 5.023 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 823620087 SPQVLCPWBBFPNK-UHFFFAOYSA-N 453.546 5.156 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 837533810 WMCQDXJBKLTPRU-IERDGZPVSA-N 498.530 5.822 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(C)c2)C1=O 912771813 PRLLDZPYXORLKI-HSZRJFAPSA-N 459.571 5.164 30 20 JKED CN(Cc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1)C(=O)C(F)(F)F 915073001 HIRWMLVKKUFJJM-UHFFFAOYSA-N 483.515 5.624 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915100022 KJGTXDQQYSVXNY-PZJWPPBQSA-N 479.989 5.262 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(-c2ccccc2)cs1 915101475 CAJHEICXTXAOEO-SFHVURJKSA-N 456.493 5.317 30 20 JKED N#C[C@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc(-c2ccc(Cl)cc2)cs1 915101997 PMGNXSAXKLQZQH-LJQANCHMSA-N 477.929 5.564 30 20 JKED COC(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 915649678 FGQVWYOADFVRSN-UHFFFAOYSA-N 460.437 5.055 30 20 JKED CCOc1cc(C#N)ccc1OC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 916038895 LYPQKJASTMERHX-UHFFFAOYSA-N 479.330 5.120 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1Cl 916057299 NKTKLBKEEXPHJA-OAQYLSRUSA-N 497.979 5.171 30 20 JKED CCOc1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)ccc1OCCOc1cccc(C)c1 916154670 RROKMAXEJGVJFV-JJIBRWJFSA-N 466.603 5.354 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccc(F)cc2)c1 916206256 MXRFGJOBLRAUOG-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2ccco2)c1 916207234 DIHXCABFXLUVGK-FQEVSTJZSA-N 487.503 5.767 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccccn2)C1=O 916213056 XEVFSDDSNOSQFH-XMMPIXPASA-N 488.613 5.339 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OCC)cc1 916213704 FTDCFLPBLYYBSY-HXUWFJFHSA-N 493.551 5.865 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CC2)cc1 916213802 HXTINHMCNATTEK-HXUWFJFHSA-N 457.983 5.034 30 20 JKED Cc1ccc(Cn2nc(C)c(C=Nn3c(S)nnc3-c3ccccc3Cl)c2Cl)cc1 916276802 JOMNXWNDQAIBQH-UHFFFAOYSA-N 457.390 5.284 30 20 JKED CCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)cc1OC 916320855 MIULHUCJKSNBHF-UHFFFAOYSA-N 454.596 5.123 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916719272 ALSLZJPGVKKCSY-GFMRDNFCSA-N 483.059 5.049 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916886115 DXQCMKDVBWMWIW-OAHLLOKOSA-N 463.918 5.739 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 916898914 GKOANYSYOFNIIO-JOCHJYFZSA-N 470.598 5.541 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996107 GHTAWDONBCZTCS-SUMWQHHRSA-N 462.402 5.474 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 917504604 FSRKHAYAZBYXLD-SFHVURJKSA-N 474.479 5.231 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cs1 917561927 BKUMZGYNPWSJSZ-SSZFMOIBSA-N 472.541 6.442 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)S1 917623487 QXKAWKGGZLSARC-QNGOZBTKSA-N 470.664 6.057 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1cc2ccccc2o1 917700171 NUIMGTZWMSTUJN-RUZDIDTESA-N 494.576 5.143 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)cc1OC 917762496 RJLQXRARWMWBOK-LCYFTJDESA-N 456.970 5.484 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2cccs2)cc1 918297165 KBNHASAKYTUOMX-DEOSSOPVSA-N 455.539 5.164 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cc(Br)cs3)n2)cc1Cl 918486215 DZXRRWUDEPXGFT-NSHDSACASA-N 496.795 5.257 30 20 JKED C=CCn1c(SC[C@@H](O)c2ccccc2C(F)(F)F)nnc1-c1ccc(Br)cc1 918752275 XAWFAUWOVZWXLG-QGZVFWFLSA-N 484.341 5.738 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 920106270 WBANZUHCQGUDMG-LXXRFIIISA-N 464.365 6.119 30 20 JKED N#C[C@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 920112705 HLSOILOBIRAELE-CQSZACIVSA-N 480.393 6.010 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)n2)cc1 920143567 RMAAWMANEBDQHK-FYYLOGMGSA-N 475.570 5.186 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2C#N)s1 920168721 NKXNJGLSCHPRJC-WZONZLPQSA-N 488.638 5.327 30 20 JKED CC(C)(C)c1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 920196050 JJASHLBMZSCJRY-UHFFFAOYSA-N 496.611 5.372 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cc(C)on3)C2=O)cc1 920353427 JJUPYZBDIZESJM-QFIPXVFZSA-N 462.575 5.069 30 20 JKED N#C[C@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2c(F)cccc2F)cs1 920804140 LTUSXJOPFUEINA-CQSZACIVSA-N 454.458 5.087 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C 921131495 KDFWTUSLCYDGBO-OAHLLOKOSA-N 458.008 5.919 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)CCO2)C1 1783106305 BONRVFKDHSWRSW-SIBVEZHUSA-N 492.582 5.409 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(C(F)(F)F)ccc5[nH]4)CCC3)cc2)C1 1785807598 LZJWJROSEZSTDI-UHFFFAOYSA-N 467.491 5.901 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786102951 HVDZFLAFAAJUGZ-QFIPXVFZSA-N 495.664 5.536 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(C(F)(F)F)cn4)cc3)CCC2)c1 1788392110 WVJSFKUSMOVODE-MRXNPFEDSA-N 493.489 5.184 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C(C)C)nn4ccccc34)cc2)CCC1 1788397393 LOBINRRQLFEJDK-IBGZPJMESA-N 475.593 5.006 30 20 JKED COc1cscc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1788830220 UIHYAUCKJWNZIU-UHFFFAOYSA-N 465.962 5.343 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cnc(C(C)(C)C)cn4)cc3)CCC2)c1 1788882910 RAHUSSJCHSPYME-UHFFFAOYSA-N 467.573 5.016 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc5cc(O)ccc5n4)cc3)CCC2)c1 1788944174 HLEKTBYNOXDVBC-UHFFFAOYSA-N 480.499 5.013 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(Cl)cc4n3)CCC2)cc1 1789454512 ZSLQIMGKEQACJE-OAQYLSRUSA-N 462.981 5.504 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])cc2)CCC1 1790571259 MBJZPGYMJRGTHI-QHCPKHFHSA-N 477.561 5.048 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)cc2)CCC1 1790773902 ULPLTVOTWVDDKX-UHFFFAOYSA-N 485.968 5.287 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)ON=C(C)C)CCC3)cc2)cc(C(F)(F)F)c1 1790817743 VIPVSAADGQCRFR-INIZCTEOSA-N 491.510 5.263 30 20 JKED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCCCCCCCCCc3ccccc3)[C@H]2C1 1792224184 WYLOJOKTFSJFDO-QKDODKLFSA-N 481.681 5.023 30 20 JKED Cc1snc2sc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CCC5)cc4)CCC3)cc12 1792230203 XBWSACQJKRGEEP-UHFFFAOYSA-N 450.589 5.108 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1 1797019469 NVYAIBPCVICRNP-CLLJXQQHSA-N 478.364 5.022 30 20 JKED O=C(C#CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(c2ccnc3ccc(F)cc23)CC1 1799884573 ZDDMQJCLWOQCCS-ZSXFQPRASA-N 487.619 5.089 30 20 JKED COc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C)cc(C#N)c2)cc2ccccc2c1Cl 1800765460 VZZGZAYQWADBNT-KOUNCHBCSA-N 487.987 5.248 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1802390481 NDUZEIQVNNNSJN-LMSSTIIKSA-N 480.612 5.029 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)Cc3cccc(CCCCC)c3)[C@H]2c2cccnc2)C1 1802415286 FLSKPNWIOABDLZ-NAKRPHOHSA-N 459.634 5.029 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]31)C2)c1ccc(O)cc1 1802424000 HJJAPIJXGSMZQW-HCHZOHPZSA-N 476.661 5.134 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1802492404 NBPQSEAUZOVKAF-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1802501559 ZPMIKOMDNUYDSL-OFNKIYASSA-N 454.014 5.355 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC2CC2)c(F)c1)c1ccccc1 1803936788 YEKJBKBLRSCGFI-XDZVQPMWSA-N 488.603 5.064 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C2)CC1 1804745002 BJHYLXPYENANRL-UHFFFAOYSA-N 498.143 5.717 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1809214187 GTXGMGSEBFGFOF-NDDXJGTKSA-N 496.655 5.389 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)cc1 1809625365 WTXYVPKOZDVOOG-OVTMDPFBSA-N 484.644 5.074 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810503260 SAYCOYDMDPECCB-DENIHFKCSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1811794442 MYENDUXOSVIQEO-XXBNENTESA-N 499.011 5.264 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1812591287 DGLHUXKFYHNJIT-NFCJYOSASA-N 471.576 5.420 30 20 JKED C[C@]1(C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC=CCC1 1813587953 UCNPHXCQFVBSDA-SEIBCYHCSA-N 496.533 5.038 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)n[nH]1 1814659178 AHRHQUZCDRGAKZ-KBXCAEBGSA-N 450.917 5.070 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccccc3)CCCC2)n[nH]1 1814685119 YWHZCTXNMFVWQW-HXUWFJFHSA-N 456.537 5.125 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)C#N)[nH]n1)c1ccc(Cl)cc1 1814939739 TWNLZUFJAVMXAO-CTNGQTDRSA-N 455.990 5.045 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC3CCC3)n[nH]2)cc(C(F)(F)F)c1 1815051414 JNNVXGXEIYQMKG-FQEVSTJZSA-N 473.499 5.186 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)CCCCC)[nH]n1 1815463238 VJJFGSSMBRCQMW-SVFBPWRDSA-N 489.661 5.088 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cccnc4s3)n[nH]2)c1Cl 1818573994 VFILKAJYBCUWNB-SFHVURJKSA-N 490.976 5.164 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(Br)cc2C)[nH]n1 1819553701 RYWZXDNCCYTDQR-SFHVURJKSA-N 488.430 5.174 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(C(F)(F)F)coc1C)CC2 1819599724 KYCZFIHPWPXIMO-ZIAGYGMSSA-N 467.513 5.058 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820316544 KRAIBKDUUCTDPA-XUZZJYLKSA-N 487.579 5.685 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3)[nH]n2)cc1 1820549087 SAMQBPZSJNDTBU-HXUWFJFHSA-N 485.441 5.059 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)cc1C#N 1820562815 HJRRIFOLRITBQQ-JOCHJYFZSA-N 491.979 5.342 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(F)c(Br)c2)n[nH]1 1820688032 SPXFSFAQVFIIRQ-YWZLYKJASA-N 491.405 5.148 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1)C(F)(F)F 1821203366 MHTLJEMZNMMGHR-CQSZACIVSA-N 479.261 5.280 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3cccc(Br)c23)[nH]n1 1821918819 PLLVVGSRMCVACS-QRWLVFNGSA-N 498.425 5.101 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)[nH]n1 1821921663 WFBFLLXFMIYPCZ-OPAMFIHVSA-N 479.531 5.268 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1823132586 JNSCFDXIYCESAB-OAQYLSRUSA-N 498.370 5.216 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1823214715 IMSONLJNOLLBRN-NIYFSFCBSA-N 477.568 5.810 30 20 JKED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2C1 1823230092 BGFZLIGYZCKDMM-FQEVSTJZSA-N 491.613 5.144 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1823254003 ZYJPSSXAMIPAEX-KKSFZXQISA-N 491.979 5.318 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824052683 SINRLUPCZLAULM-AREMUKBSSA-N 486.660 5.117 30 20 JKED CC(C)[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824224651 SXYCIZIAVWVJBV-NYHFZMIOSA-N 494.642 5.065 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3ccc(C#N)cc23)CC1)c1ccccc1 1824240727 CKBVXPDJOWSJGQ-SXOMAYOGSA-N 497.643 5.108 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@@H]3OCCc4ccccc43)CC2)c1 1824424602 FDHGDVPOYYBMJS-WVLFPKRMSA-N 499.655 5.251 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1824502197 ZCZVGILIOPDYFS-VNSJUHMKSA-N 458.687 5.195 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1824537132 CJBRNFCSJOHDMS-IFMALSPDSA-N 462.059 5.009 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1824539301 RIKYGINYIWFCFN-UXHICEINSA-N 457.467 5.181 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1824959338 WVHFKSDJJHDHNP-XMMPIXPASA-N 486.081 5.349 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(C)c(C)c2)CC1)c1ccccc1 1825392977 ZVWHXIBKACEZDT-WUFINQPMSA-N 471.645 5.129 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)c[nH]2)cc1 1825423278 YCNHKXUNABSGPL-GDLZYMKVSA-N 494.639 5.338 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)C1 1827517810 NUOXKQRVLUCFLP-QFIPXVFZSA-N 454.014 5.329 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCc2c[nH]c4ccccc24)CC3)c1 1827693024 JSOKLBWPUGCHMI-UWJYYQICSA-N 497.624 5.110 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828168703 TYCJVJSRLOQOPS-FXAWDEMLSA-N 475.054 5.379 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)[nH]c12 1828549423 KONDAEWUSYYSTQ-RUZDIDTESA-N 472.564 5.034 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1828656626 XUQSDKPUQBTMMD-VGSWGCGISA-N 486.454 5.376 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(OCC(C)C)c2)CC1 1829066803 UDXQKZPWVHCGEH-XMMPIXPASA-N 469.670 5.342 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc(C)c1O 1829692981 RODNCHHDBDBEOR-HSZRJFAPSA-N 480.008 5.081 30 20 JKED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1829694519 BVNQKNMBSMBESD-WXVAWEFUSA-N 499.655 5.086 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829837035 BMRXALBANBZYNR-JOCHJYFZSA-N 485.625 5.054 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2CC)CC1)c1ccccc1 1829852631 NWDVOIJUDGLSLF-UKILVPOCSA-N 477.674 5.136 30 20 JKED CN(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c2ccccc12 1830015003 OBUSMNVBZXGLCR-MUUNZHRXSA-N 494.639 5.325 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1830015292 BQAUUUJBGIGMOU-XMMPIXPASA-N 484.625 5.229 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1Cl 1830471200 GEUARINFFXXCAE-GMAHTHKFSA-N 481.102 5.315 30 20 JKED CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830630165 KEXYHHBFVICLFF-SXOMAYOGSA-N 457.618 5.180 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978479 QFSZRBSANTZQLF-QHCPKHFHSA-N 472.589 5.211 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1832633614 LSPWSDAVYSMWBH-ZBLYBZFDSA-N 496.611 5.516 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)C1 1844241742 HTQSZZLVYUUHFV-HXUWFJFHSA-N 483.653 5.333 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(OCCCC(F)(F)F)cc1 1847264218 VFCJKSCTIWNBFF-SFTDATJTSA-N 466.544 5.216 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(C(F)(F)F)CC1 1847986178 MZVCBMNDQKWZGL-GPDROORESA-N 480.424 5.029 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccc(OC(F)F)cc1 10172815 SRYXXGHCXHNMQS-UHFFFAOYSA-O 458.554 5.144 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)ccc1C)[n+]1ccc(Cc2ccccc2)cc1 10174345 ZJIBUFOGCSUJJN-UHFFFAOYSA-O 479.669 6.795 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cccc(CC)c2)cc1 10174444 GPQZGPYPJQLCNL-UHFFFAOYSA-O 458.434 6.457 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccs3)n2C)n(C2CCCCC2)c1C 10710956 CTPABOZDFJMAPD-UHFFFAOYSA-N 454.625 5.070 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)n(-c2ccccc2)c1C 11748987 LPKNIZDMMLVXQA-UHFFFAOYSA-N 495.511 5.348 30 20 JKED N#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 14819645 AIHCMXXMJKQWBQ-KRWDZBQOSA-N 458.370 5.814 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)cc1 15237465 QMNMXTWXCZUAAH-SFHVURJKSA-N 494.979 5.325 30 20 JKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17531148 OURSZKJPJZGZKD-OAHLLOKOSA-N 472.482 5.586 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(Br)c3)no2)nnc1-c1ccccc1OC 18972997 NJINYNOFSYVWLZ-UHFFFAOYSA-N 484.379 5.245 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccc(OC)cc1 21337185 GLXJQZAWNAWJFC-KRWDZBQOSA-N 464.591 5.098 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(Cc3ccccc3)cc2)s1 22694022 HFFWMWZHQCGLDU-UHFFFAOYSA-O 471.671 6.603 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(C(C)(C)C)cc2)c1 28779508 XUBBWISKPSUXAR-UHFFFAOYSA-O 478.594 5.548 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2cccc(C)c2)c1C 28793444 DJNHXDPSWXQDKV-UHFFFAOYSA-O 464.611 5.072 30 20 JKED Cc1c(/C(O)=N/c2nnc(SCc3ccccc3)s2)sc2nc(C(F)(F)F)ccc12 29784375 BZUVSQWINJBPTO-UHFFFAOYSA-N 466.535 6.404 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 32981986 MELIRAMJRHJRHQ-KRWDZBQOSA-N 486.391 5.072 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)cc1 60043767 CECLEPDCDBVYAO-IBGZPJMESA-N 454.536 5.486 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1 105406626 GATLPRMKQVUMGE-QGZVFWFLSA-N 463.613 5.682 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1 107701906 UCSMDIPOPCHAMA-OAQYLSRUSA-N 477.630 5.019 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 195631041 ZCTGRDYTYAAGNH-UHFFFAOYSA-N 488.494 5.207 30 20 JKED COc1ccc(-n2cnnc2SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 302947721 NCCJLLDNNRTTNT-QFIPXVFZSA-N 489.988 5.316 30 20 JKED C=CCN(C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)[C@H]1CCS(=O)(=O)C1 303037053 VJMWFVZQABLGOT-SFHVURJKSA-N 470.443 5.101 30 20 JKED Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 303098322 BFHLFKRLSKNAQR-UHFFFAOYSA-N 457.530 5.354 30 20 JKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccco1 303171487 JFJKXCVYCYDBOW-VWLOTQADSA-N 465.509 5.414 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3csc(I)c3)cc2)c1 409761319 BUKZPYQSHKLYQC-UHFFFAOYSA-N 460.296 5.056 30 20 JKED C=CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C(=O)OCC)cs1 409834613 XCOMEWYVMPZLGB-UHFFFAOYSA-N 452.376 5.190 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)[C@H]1c1ccc(OC)cc1 481691196 WGGBTXSCNHYBEJ-GBXCKJPGSA-N 465.619 5.226 30 20 JKED CCOc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc(OCC)c1OCC 487416776 CKOGILZKDFKUPD-UHFFFAOYSA-N 451.548 5.054 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(O)c2c(-c3ccccc3)csc2n1 497930366 QSPUHUIXQMBLNL-UHFFFAOYSA-N 492.674 5.162 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(Cl)cc1 501207996 JCPJXAJNOFNUPA-ZDUSSCGKSA-N 458.374 6.341 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 502336282 YAFUYKIUUADPIB-INIZCTEOSA-N 492.364 5.186 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1C 502604902 VLKPRJRHYMKFTO-INIZCTEOSA-N 476.390 5.645 30 20 JKED O=C(NCCc1c(F)cccc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 502785153 RYIMCAGJZJIROX-UHFFFAOYSA-N 463.328 5.161 30 20 JKED C=CCN(C(=O)C[C@@H](NC(C)=O)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502959984 BFHVKPDEXQIDSJ-HXUWFJFHSA-N 474.413 5.903 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Oc4cccc(Cl)c4)cc3)CC2)c1 504587135 YROALHXJCRNSQU-UHFFFAOYSA-N 459.933 5.495 30 20 JKED Cc1nc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)sc1SCC#N 504769458 GVCOVNKULSZOLT-UHFFFAOYSA-N 455.417 5.679 30 20 JKED CCN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)[C@H](C)c1ccc(C#N)cc1 509556273 BWUKPBUFHJFDNQ-OAHLLOKOSA-N 454.393 5.596 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 509623263 QUPGWEQSXQSHRB-UHFFFAOYSA-N 455.583 6.024 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccccc3)c3nccs3)cc2Cl)c1 509953842 IMHSAKKULUHWGO-HSZRJFAPSA-N 474.973 6.158 30 20 JKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510024607 USJQFARTIFWHSB-HOYKHHGWSA-N 470.964 5.801 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 510590412 XGBTWTBHBLWUEF-UHFFFAOYSA-N 457.559 5.357 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C 510611898 BNKIRCLYHIQBGH-UHFFFAOYSA-N 493.611 6.107 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 511381954 JPFLMRCUIYAQNK-RUZDIDTESA-N 454.574 5.118 30 20 JKED C=CCn1c(SCC(=O)c2cc(F)ccc2F)nc2scc(-c3cccs3)c2c1=O 511663305 WAQCACBTELGLJC-UHFFFAOYSA-N 460.552 5.626 30 20 JKED CC1CCN(C(=O)c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)CC1 512644608 RBOXKFCLMBZFDT-UHFFFAOYSA-N 453.542 5.262 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513167645 XFWHBSHBLPTPLJ-QGZVFWFLSA-N 474.895 6.012 30 20 JKED Cc1noc(C)c1COc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 513274110 PLMRQXMIANJPOF-KRWDZBQOSA-N 465.481 5.762 30 20 JKED COC(=O)c1cc2cc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc2o1 513875926 GXOTZJDFPNXTIH-UHFFFAOYSA-N 457.461 5.464 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccncc1 514294559 NGSMXKZFEOEQIQ-JOCHJYFZSA-N 457.559 5.007 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCc1cscn1 515547412 WUIGRFNUBUPJCE-OAHLLOKOSA-N 455.948 5.484 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 516269932 FNOSJWIWGOSKFM-HNNXBMFYSA-N 463.833 5.680 30 20 JKED CC(C)Oc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C(F)(F)F)c1 517533445 WIOQVSZGMJYFIB-HNNXBMFYSA-N 451.514 6.209 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 518202223 NUWZCCDLJHHPEO-VWLOTQADSA-N 499.998 5.364 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccccc1 519415755 VSUXMTRBUKVMCF-QZTJIDSGSA-N 465.648 5.899 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 520144398 FFVGNHRNMVVDNE-RUZDIDTESA-N 484.556 5.614 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1cccc(C(F)(F)F)c1 520428910 BNWMZSYCGCNKOU-OAHLLOKOSA-N 488.441 6.091 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 520945454 XTUONTYMFMQPRG-HXUWFJFHSA-N 463.946 5.296 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 521330567 SIWFECFNBSEPBM-HNNXBMFYSA-N 487.553 5.412 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)s2)cc1 524327824 GHWZNSULYDRVDZ-LSDHHAIUSA-N 461.399 5.751 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 524679987 DIQBNKVLWPRMOZ-UHFFFAOYSA-N 456.571 5.814 30 20 JKED C=CCn1c(SCC(=O)NCc2cc3ccccc3s2)nnc1-c1ccc(Cl)cc1 552649845 RTEIDIALBJMPCO-UHFFFAOYSA-N 455.008 5.408 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 553122587 IGDOPONBBXDDEU-OALUTQOASA-N 491.588 5.472 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1 585688551 WBMAQWOZWREONC-UHFFFAOYSA-N 488.560 6.284 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3nc(C)cs3)c2)nnc1-c1ccc(Cl)cc1 588056267 NMLSZTQIFQASBM-UHFFFAOYSA-N 482.034 5.947 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1cccc2cnccc12 595869163 CKMXUHXUSUUTMQ-INIZCTEOSA-N 478.459 5.243 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c([N+](=O)[O-])cc1OC(F)F 603613713 PAPIJPJTMMMTQB-CYBMUJFWSA-N 479.848 5.472 30 20 JKED CC(C)c1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccccn1 603766741 WCUAOMVOZZBPEH-OAQYLSRUSA-N 455.949 5.952 30 20 JKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Br)cc3C(F)(F)F)cn2)cc1 603987960 UDGVJMXHHOEZMA-UHFFFAOYSA-N 498.280 5.328 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 604129335 JUCWXWCQHCZASG-NRFANRHFSA-N 457.574 5.829 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccn(Cc4ccccc4)c3=O)cc2Cl)cc1 604439018 VNGYKPPMIFYXDW-UHFFFAOYSA-N 455.901 5.466 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(OCc4ccccn4)c3)cc2)cc1 604461361 JCMCBKZANVBJGJ-UHFFFAOYSA-N 450.498 5.646 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C2CC2)cc1 608797399 JJNCSRSIQUKMPW-SANMLTNESA-N 468.557 5.150 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1occc1COc1cccc(C#N)c1 608807886 WOGWOKIRVGKFQE-UHFFFAOYSA-N 459.477 5.229 30 20 JKED COc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C(F)(F)F)c1 608840675 AIIPNAYXWQAKOA-UHFFFAOYSA-N 469.463 5.681 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 608965779 GSCGTTPNJRQUIG-UHFFFAOYSA-N 457.555 5.496 30 20 JKED COc1ccc(OC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)cc1 609080912 WYCIWVLVNRPDBN-UHFFFAOYSA-N 491.975 5.875 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 609105316 JFHGHCQMUBWJNS-UHFFFAOYSA-N 480.503 5.269 30 20 JKED CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609163887 BSWLWDHTLWRWBG-FPOVZHCZSA-N 467.978 5.079 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)c2)cc1 609208939 QZMKVUCBOGZLPZ-IBGZPJMESA-N 454.555 6.372 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c1 609378137 XKNJHJRXRDBDHB-SFHVURJKSA-N 475.570 5.217 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSCc1coc(-c2ccccc2)n1 609378649 VMBBLBWHUUNZPZ-UHFFFAOYSA-N 477.533 6.238 30 20 JKED COc1ccc(Br)cc1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N 609388129 KFLCUWBLKFQJCJ-CQSZACIVSA-N 465.438 5.724 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1ccc2ccccc2n1 613292885 ZYPPZUFEAYJMRU-HXUWFJFHSA-N 457.327 6.066 30 20 JKED N#C[C@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 613404505 OGKFRJWNJWDMQR-OAHLLOKOSA-N 456.470 6.098 30 20 JKED O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619946550 MFBBTPMZRKHSFR-ZIAGYGMSSA-N 465.369 5.285 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 684681328 FEMKVJWBGOGMRN-LJQANCHMSA-N 459.502 5.697 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](c3ccccc3Br)C2)cc1 725729656 XVABCCCTVIDIAI-QHCPKHFHSA-N 493.426 5.827 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC2CCC2)cc1Cl 726408496 FOUUSBISRNWVIZ-FQEVSTJZSA-N 470.957 5.111 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cs1 726425757 FZSNCHFIXUECNA-UHFFFAOYSA-N 497.424 6.183 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)s1 726570263 ZQPQOGYTTVYCAP-UHFFFAOYSA-O 452.625 5.148 30 20 JKED C=CCOc1c(Br)cc(/C=C2/SC(=S)N([C@H](C)c3cccs3)C2=O)cc1OC 726630202 UPPFICQANPCRIW-PBSOMRJOSA-N 496.473 6.046 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1OC 726733409 XXIBFHOADFYYMA-QGZVFWFLSA-N 454.935 5.355 30 20 JKED N#CCCCOc1cccc(/C=C(\Cl)c2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)c1 726743575 MGKWCHOEOQDOMY-UYRXBGFRSA-N 465.937 6.210 30 20 JKED CC(C)CN(CCC#N)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 727375627 JQUGNAFKXXYREI-UHFFFAOYSA-N 472.433 5.410 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1=S 727423530 HKZFFKAYDQBCGU-OAQYLSRUSA-N 474.989 5.099 30 20 JKED Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cs1 727561331 KKXRBAIKYJNVBQ-UHFFFAOYSA-N 484.581 5.252 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccccc2Cl)n1 727626840 HAJQZKLJDXJKEE-ZDUSSCGKSA-N 460.342 5.395 30 20 JKED COC1CCN(c2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2C(F)(F)F)CC1 728009531 GQADZMYLGQWVKE-QHCPKHFHSA-N 475.511 5.234 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCCC#N 728777747 NSDAJQZJYJYIPL-HXUWFJFHSA-N 472.973 5.442 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1F 729146368 RJQJIYQYXCIPTC-SFHVURJKSA-N 490.532 5.029 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3cocn3)C2=O)c1 730714557 UHZOPQTXICPQGP-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730942269 KUDNTKNQOMFTKC-URXFXBBRSA-N 486.641 6.037 30 20 JKED CC(C)Oc1cc(Br)ccc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731075660 HLSYAGPVTHAAQW-HNNXBMFYSA-N 491.407 5.426 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1-c1ccccc1 731313218 UUHBOBGIUROXMC-XMMPIXPASA-N 489.597 5.056 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)(C)C)CC2)c1 743523842 DRJIZAINKTZFBO-HSZRJFAPSA-N 496.652 5.357 30 20 JKED O=C1/C(=C\c2csc([N+](=O)[O-])c2)CN(c2ccccc2)C/C1=C/c1csc([N+](=O)[O-])c1 747317364 RXVVWNZRLTWMSQ-DQCYIKBWSA-N 453.501 5.182 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2nccs2)C1=O)Nc1ccc(F)cc1 747599263 IYTOUMZTUULVJC-SFHVURJKSA-N 488.997 5.139 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCc3nccs3)C2=O)cc1Cl 747600296 PEJKOXVOISVHJR-LJQANCHMSA-N 485.034 5.308 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)Cc2cc(Br)ccc2F)cc1 749333297 XYEGMTDGUBFFRM-JOCHJYFZSA-N 482.353 5.270 30 20 JKED Cc1sc2nc(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)nc(O)c2c1C 750398935 WTPIHWVPWSZONO-LBPRGKRZSA-N 476.505 5.451 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 832884132 PAEHIGVYHPJKGP-UHFFFAOYSA-N 473.602 5.526 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCN(C4CC4)CC3)C2=O)cc1 837784878 QBWTXQPWXRLXJC-QHCPKHFHSA-N 497.064 5.236 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 837787241 DGCBNLFPDXRCSW-QVKFZJNVSA-N 482.968 5.596 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3OC)N(Cc3ccco3)C2=O)cc1 838522556 ABMQYZVGOIPXLY-QHCPKHFHSA-N 493.585 5.238 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC(F)(F)F 838530409 AVOPAQPNIAROKQ-HXUWFJFHSA-N 487.503 5.371 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Br)c2)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914553579 DVCHZJMHGFGACE-IRLDBZIGSA-N 498.446 5.201 30 20 JKED Cc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)o1 915116218 DUXDTQSNEMNWDZ-OAQYLSRUSA-N 469.513 5.069 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1cccc(C(F)(F)F)c1 915199532 DWACLUPUASSFLG-QHCPKHFHSA-N 460.459 6.107 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(OCc3ccncc3)cc2)cc1 915955944 MONWZYAVDDVFCL-UHFFFAOYSA-N 459.575 5.125 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O 916204416 FHBRFSNFOBORNR-OAQYLSRUSA-N 464.978 5.204 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1C 916206944 BDNWNUVFLRDWMB-IBGZPJMESA-N 461.509 5.469 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2ccco2)C1=O 916207750 JXCHTFVSKOGUSE-JOCHJYFZSA-N 463.559 5.066 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccc2)cc1 916213944 IUYNZFZVYUORPY-QFIPXVFZSA-N 481.524 5.134 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccc2)cc1 916215426 VKHQPRGGLQEECI-QHCPKHFHSA-N 477.561 5.037 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NN=C(c2ccccc2)c2ccccc2)cs1 916263895 IDTOOQMTKGHMBI-UHFFFAOYSA-N 452.583 6.316 30 20 JKED CC(=O)N(c1nc(C=NNc2ccnc3cc(Cl)ccc23)cs1)c1ccc(F)cc1F 916269501 SSKNBTYRJHFZPL-UHFFFAOYSA-N 457.893 5.754 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=Nn1cnc2sc3c(c2c1=O)CCCC3 916288584 MXNNSMUFIRXWTE-UHFFFAOYSA-N 458.374 5.020 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847687 TYLHPUAVCYPDFR-HNNXBMFYSA-N 488.432 5.148 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 916948270 FQYTVAWMTBVPEK-QRWLVFNGSA-N 484.383 6.442 30 20 JKED N#C[C@H](C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997138 RQTSXDVLQGPDCC-JXIYXGQPSA-N 495.457 5.019 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997821 YOAOMDXXBBFJOO-XLIONFOSSA-N 470.381 5.598 30 20 JKED CN1CCC(N(C)c2ccc(N=Cc3cc(Br)cc(Br)c3O)cc2)CC1 917558020 ZDRMUEVTAAOMPJ-UHFFFAOYSA-N 481.232 5.198 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cccc(C)n2)cc1 917684557 GNZDNWDNALJJPB-JOCHJYFZSA-N 495.004 5.213 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](c1ccccc1)C1CC1 917702689 IGHXJKDKPUINJN-AHWVRZQESA-N 498.583 5.809 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)Cc3ccco3)C2=O)c1 917703551 OPQCHILUGNJJLO-CYFREDJKSA-N 486.597 5.360 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N([C@H](C)CCc3ccco3)C2=O)cc1 917704025 QMIRJZXOYMHDBT-NTKDMRAZSA-N 486.597 5.441 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)c12 919205584 JFBVQRWTOGIMJI-IBGZPJMESA-N 475.593 5.110 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)o1 919513114 ALESIERSUBLZOX-UHFFFAOYSA-N 478.810 5.198 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 919637529 NKXJQVPBWUGXSO-IBGZPJMESA-N 490.170 5.757 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cc3ccccc3s2)C1=O 920477947 DIGNCPFWHLCGDH-SFHVURJKSA-N 491.610 5.484 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 920868817 MBALYCLQJGIHQU-ORAYPTAESA-N 498.407 5.375 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)c2ccccc21 920912666 ORPPPUIBWZBKSD-UHFFFAOYSA-N 494.334 6.089 30 20 JKED N#Cc1cc(NC(=O)Cn2c(O)nc3ccccc32)ccc1Oc1ccc(C(F)(F)F)cc1 1148314319 ZGTGUTZYDMSKKK-UHFFFAOYSA-N 452.392 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Br)cc(C(C)C)c3)C2)C1 1782073263 CCCJOLOCYQQVQF-RUZDIDTESA-N 491.470 5.008 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)CCC2)cc1 1786104257 HGMHNYGDXYYWMJ-UHFFFAOYSA-N 493.648 5.336 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccncc3F)cc2)CCC1 1788856402 FXGHJUFRQFJDKL-UHFFFAOYSA-N 451.618 5.020 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789154825 SQUFGJXSACRFEB-VIJJQIEHSA-N 479.024 5.049 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4-c4ccccc4)cc3)CCC2)c1 1789934947 VNXUXGXOISURIG-UHFFFAOYSA-N 472.548 5.682 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790001416 QUNSALWNCUKHSA-SFHVURJKSA-N 473.598 5.493 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)cc2)CCC1 1790015226 UWKDPBFRBGLEAQ-UHFFFAOYSA-N 475.552 5.348 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)c1 1790076012 XUUDEIZPOBLYRS-UHFFFAOYSA-N 492.535 5.283 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)[nH]c2c1 1790257419 YDBXWSLSJVTATP-UHFFFAOYSA-N 464.525 5.110 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CCCCn4cccc4)CCC3)cc2)c1 1790764751 JMCLRGSEISSDGP-UHFFFAOYSA-N 458.537 5.117 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)ccc1F 1790785364 KCWBPRAQNUJWMJ-UHFFFAOYSA-N 496.464 5.481 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cnccc5nc4C)CCC3)cc2)c1 1790796066 VJHHVWZTCCPLKG-UHFFFAOYSA-N 475.552 5.180 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3Cl)CCC2)cc1)C(F)(F)F 1791303055 JQCGLAFUTDSQLR-UHFFFAOYSA-N 462.859 5.034 30 20 JKED C/C(=C\c1cccnc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791855391 IRDPWMSUDUSMJH-UZLGTAQGSA-N 464.569 5.560 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)c4ccccn4)CCC3)cc2)c1 1792126192 BCKVFVPAINEVLQ-WOJBJXKFSA-N 452.558 5.260 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5c(c4)CCO5)CCC3)cc2)c1 1792126923 OJYXASIUGITEPC-FQEVSTJZSA-N 479.580 5.239 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)C2 1793052900 FDUMDWWQQQFKEP-ACDBMABISA-N 459.512 5.207 30 20 JKED O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Cl)c3)CCCC1)C2)c1cccs1 1796896687 VLFZAQIXIJLFTB-DUNHXPRZSA-N 497.060 5.291 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1798284962 HEFJVRIYIIKSNJ-YFYLHZKVSA-N 493.576 5.071 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1802501854 COQKDOMCAYKPJA-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1803091095 MPXPTMHKHQBNPK-MBSDFSHPSA-N 490.406 5.616 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)C1 1805456427 XFFQJZGMHIUDNK-UHFFFAOYSA-N 485.628 6.041 30 20 JKED CC(C)(C#N)C(=O)N1CCC2(CCCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)CC1 1805622961 HLAKRWFKDWMIIC-UHFFFAOYSA-N 470.057 5.395 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808545849 HFBPVNLRNFBCBI-LSYYVWMOSA-N 480.612 5.232 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1Cl 1808978691 SERRKGRHLOCWJA-AJTFRIOCSA-N 494.982 5.393 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)cc12 1809804879 JKYKARCFKLRVBJ-MCQPEXAWSA-N 491.595 5.132 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H]3CNc4ccccc4C3)C2)CC1 1809840230 HWSPIFBNUVGXRQ-UKILVPOCSA-N 463.666 5.051 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1810173794 QQPXFHAPSYTILR-PQNGQFLHSA-N 474.630 5.088 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)[C@H]1c1cccnc1)c1ccccc1 1810448001 QNUQMJJFKRMVPC-NJBJSMFESA-N 469.629 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cc(F)ccc2Cl)[C@H]1c1cccnc1 1810491295 BYUGHCKJGJYDNQ-DVECYGJZSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@H]1c1cccnc1 1810492136 JMGYMCLEQZMGAX-FUCAVZNHSA-N 481.587 5.162 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1810500072 LFXYMEPYQRPBIV-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCC3)c(F)c2)[C@@H]1c1cccnc1 1811389210 ZWFLQVMEGHVCPN-BVAGGSTKSA-N 492.639 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCC3)c(F)c2)[C@@H]1c1cccnc1 1811391530 QRDYRBBXXHJULV-BVAGGSTKSA-N 492.639 5.133 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)cc1 1811832743 UWGWOQFBPZXWIP-ZJSXRUAMSA-N 493.394 5.088 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CCCCC3)[C@@H]2c2cccnc2)C1 1812522883 VMVSOXWYGWMGGO-NVQXNPDNSA-N 492.063 5.609 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2Br)[C@@H]1c1cccnc1 1812592630 RLBUTKGAMRPISZ-HZUJVAHNSA-N 490.829 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1812793120 YXWYQECHACDTBU-WMMXXEOUSA-N 453.671 5.542 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c(Cl)c1 1813860258 CFIJCOQFDKVHML-UZUQRXQVSA-N 497.357 5.033 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CCC(F)(F)C3)n[nH]2)cc(C(F)(F)F)c1 1814388881 JXRTZVTXHQIESS-KBXCAEBGSA-N 495.452 5.041 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)[nH]n1 1814442237 OULPYVJRLRENCK-GOSISDBHSA-N 468.989 5.189 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815120118 AXQMTPGOVMUTDT-JOCHJYFZSA-N 452.514 5.028 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccc(F)cc2F)n[nH]1 1815147382 ITQJKDPAOPEDGM-YLJYHZDGSA-N 474.577 5.241 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1815656814 GTDKELSQNDASRE-QGZVFWFLSA-N 497.846 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)nc3)n[nH]2)c1 1816495278 GUXCBSHFTDLNKR-FOIQADDNSA-N 496.493 5.070 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213404 OVFWXGJUOZKEPX-MJGOQNOKSA-N 485.576 5.071 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1819386639 FOSWJQMXQYIRMZ-BESBDSHLSA-N 468.718 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)n[nH]2)c1 1819415831 RDDCDDQKNXVRIE-CKTWGJMJSA-N 497.624 5.231 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)CC2 1819595799 BBDMXWRYXHAFTB-ZIAGYGMSSA-N 467.513 5.058 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)cc1 1820598936 UJIBDVLLUHOSBF-OAQYLSRUSA-N 481.478 5.228 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821089551 LBIGIBZHEQRUCR-ACJLOTCBSA-N 499.921 5.189 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(N4CCCCC4)cc3)n[nH]2)c1 1821136579 FQAUKVXIVXPREL-AREMUKBSSA-N 496.615 5.200 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821272200 GYMFDLGBKUXUGI-JOCHJYFZSA-N 498.518 5.004 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)[nH]n2)c1 1821326516 YXSFOBICDLQHGT-DVECYGJZSA-N 455.562 5.090 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1822584481 REGPHDTVUWRONZ-QHCPKHFHSA-N 477.996 5.419 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cncc(C(F)(F)F)c2)n[nH]1 1822653327 KDJLKWMIQVSPAW-FQEVSTJZSA-N 491.558 5.441 30 20 JKED C[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CC1 1822943134 PCSILHNNYOGWCV-QLVMHMETSA-N 487.526 5.432 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)c1 1823217503 LJMHJIAQYKVJAE-JLCFBVMHSA-N 497.933 5.588 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1823218478 RYHPUCYWXNVAOE-KSFYIVLOSA-N 486.963 5.182 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC)nc2)CC1)c1ccccc1 1825749748 IZAOQMNVSAPOEB-NSOVKSMOSA-N 471.645 5.075 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1827380798 ZLUXUOCDDGBUPF-MUUNZHRXSA-N 496.655 5.657 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)C1 1828503253 UOHCMRCEGHGTIT-QHCPKHFHSA-N 484.438 5.130 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccc(C)cc2)CC1 1828824988 QWRBBMHWPNRQNF-UIOOFZCWSA-N 452.639 5.152 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2F)CC1 1828829049 WVLMCLAOJHRCFY-AHWVRZQESA-N 470.629 5.155 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1828829482 IJUZQUGGKRHEPX-SSGKUCQKSA-N 468.604 5.743 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1 1829066568 JRGDHYGRPHBLPD-GBXCKJPGSA-N 456.593 5.516 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1829067277 HAEYIWDXCIODAC-YIXXDRMTSA-N 479.709 5.663 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)c1 1829955005 BLZZYTXPDMJTLP-IBGZPJMESA-N 476.429 5.474 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)CC1 1830292497 SPDWBHSTOOBSGN-MHZLTWQESA-N 477.624 5.305 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830447034 CGIOACXYMOGDOI-HHHXNRCGSA-N 473.661 5.974 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1830624659 FTRIBCURDVPBIW-AREMUKBSSA-N 482.741 5.288 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1830681048 GDBWNUQUWCTJKE-VWLOTQADSA-N 496.692 5.710 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1830717676 YLBWQNJIHMEWHA-MUUNZHRXSA-N 496.586 5.306 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)cc2s1 1830722449 JBSWURILTXYMAB-QHCPKHFHSA-N 495.048 5.610 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1830741123 VTSRPWQHEWWIDQ-QFIPXVFZSA-N 492.582 5.504 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3F)CC2)cc(C(F)(F)F)c1 1830755149 RSDMXSKLIZVMRG-FQEVSTJZSA-N 493.526 5.325 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1830895641 CMQYLCKEJLGKOX-DEOSSOPVSA-N 450.623 5.041 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 1831205782 HHITUYGHGBSYGY-IZZNHLLZSA-N 486.100 5.331 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831304549 AWZSFUQUCHPCDX-AIHMMONASA-N 496.051 5.094 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831776447 ONWHRZHOKUHNCF-YADHBBJMSA-N 485.650 5.075 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1832028530 VTKJPUPTHSIVFT-KEQINOFFSA-N 475.677 5.178 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(C)cc2Br)CC1 1832029977 ANENRNYCRNQMPA-HSZRJFAPSA-N 491.445 5.324 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1 1832633298 GEAHJWWOJFWJIM-UUOWRZLLSA-N 481.999 5.653 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1832736389 FDZXHZLAAPGQCE-VWLOTQADSA-N 486.056 5.300 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CC1 1838375597 KMJJJGJYZUJKPI-LJQANCHMSA-N 497.438 5.513 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4sc(C)cc4[nH]3)CC2)CC1 1838423872 KIYZYOPJDDEDEB-UHFFFAOYSA-N 471.667 5.142 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c1 1846830176 UZOXWZYYDOOVHL-SFHVURJKSA-N 473.960 5.358 30 20 JKED C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C#N)c2C1 8890468 YDFLOFZKELLHCY-OKSBFYSISA-N 483.549 5.679 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc(Br)c2)cc1 11085113 MAEBXAHQVOXQHQ-UHFFFAOYSA-O 482.467 6.473 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3cccs3)n2)n(C2CCCC2)c1C 11117963 HCUWEXQXHNXAFB-UHFFFAOYSA-N 454.577 5.072 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2cccc(CO)c2)c(Cl)c1 15248340 RTKKJGRUEYGFGU-UHFFFAOYSA-O 454.015 5.404 30 20 JKED COc1ccc(Br)cc1S(=O)(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 16095871 QLIQJLRWKYMFAW-GOSISDBHSA-N 491.794 5.567 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 17343399 YDLJQKUGLIUTIV-UHFFFAOYSA-N 484.031 6.040 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nc2sc(C)c(C)c2c1=O 18773972 KHWVNLWGKKIYSE-UHFFFAOYSA-N 469.632 5.220 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nnc1C1CC1 20972549 JNHDBXHNOCITHH-LJQANCHMSA-N 459.402 6.120 30 20 JKED COc1cccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2Cc2ccco2)c1 21733360 GKCKRXMXDQLYDY-IBGZPJMESA-N 487.585 5.022 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)c1 22730205 KKRVXNRVBIJABO-UHFFFAOYSA-O 453.578 6.218 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CC)c1ccc(Cl)cc1 32921574 RQBZAIQLBBGESE-QGZVFWFLSA-N 451.748 5.019 30 20 JKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 115474953 SHJBUYTWGCXVBM-DEOSSOPVSA-N 456.546 5.354 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nnc2n1CCCCC2 195556523 MDKCALBHACUBLY-IBGZPJMESA-N 468.344 5.054 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 303038698 ZHRAUJJEUIJHDG-UHFFFAOYSA-N 487.600 5.256 30 20 JKED CCOc1ccc(C2(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CCOCC2)cc1 303226318 WYMSOOKXIXGNMC-UHFFFAOYSA-N 456.542 5.227 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 303291881 BHEOTCZADYSZAI-GFCCVEGCSA-N 478.462 6.210 30 20 JKED C[C@@H](NC(=O)NCCSCc1ccccc1C#N)c1cccc(NC(=O)c2ccccc2)c1 410307736 IKYBOCOHLXZFRH-LJQANCHMSA-N 458.587 5.104 30 20 JKED CC(C)N(C)Cc1ccccc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 410387206 VWSYNOWCEFUINH-UHFFFAOYSA-N 456.590 5.494 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)c(NC(=O)Cc4ccccc4)c3)c2)cc1 483013516 MIKWHFZLBGRGGD-UHFFFAOYSA-N 465.484 5.923 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 490628110 PVQOPXPXZLSAJN-UHFFFAOYSA-N 497.576 5.385 30 20 JKED COc1cccc(/C=C(\CC(=O)N(C)Cc2cccc(C#N)c2)c2nc3ccccc3s2)c1 499338225 BLXJHIZFYNFQIW-HYARGMPZSA-N 453.567 5.766 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 500456846 QEXCDVLXOQKXFX-LJQANCHMSA-N 452.601 5.229 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509906093 UTAWBZXBBZIJSS-UHFFFAOYSA-N 453.464 6.014 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 510097567 HESJUOALZWRLED-INIZCTEOSA-N 456.527 5.118 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 510242174 MXLWTGFPGSLEGR-UHFFFAOYSA-N 473.533 5.075 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3cccnc3Oc3cccc(F)c3)s2)cc1 510246039 YIOAQZRSDDXPHK-UHFFFAOYSA-N 492.561 5.350 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCC3(c4ccc(Cl)cc4)CCOCC3)c2)cc1 510619162 URFCJJNUXKIIRY-UHFFFAOYSA-N 490.003 5.855 30 20 JKED CN(CCOc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 511328493 UVQCXBXUQQCLNE-QFIPXVFZSA-N 482.367 5.125 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 512846015 WWXIUJAACFVDJQ-UHFFFAOYSA-N 453.458 5.220 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513947749 BCVWNHTWVLKRLV-UHFFFAOYSA-N 458.537 5.414 30 20 JKED C[C@@H](c1ccccc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nc2ccccc2c1=O 514298663 DESPVENLOPSWNJ-INIZCTEOSA-N 474.973 5.262 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 514485866 LCAKXUCJVYUXHZ-UHFFFAOYSA-N 489.578 5.033 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514520815 VYXJULLPSRAHNR-UHFFFAOYSA-N 494.960 6.179 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnc1-c1ccco1 514576001 XGQJPMRJKDDXOJ-IBGZPJMESA-N 477.977 5.598 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cc(Br)cs4)n3)n2)cc1 516714004 NDTGAOZEQZUQKY-AWEZNQCLSA-N 497.424 6.119 30 20 JKED C=C(C)CN(CC)C(=O)Nc1ccc(NC(=O)c2ccccc2I)c(C)c1 517110357 CVZUXBAUUFEIBY-UHFFFAOYSA-N 477.346 5.282 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 517461166 BMJKZSRFQFXEKD-LJQANCHMSA-N 493.654 5.131 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1 518326073 GVNIEUIRMMQWCN-UHFFFAOYSA-N 469.610 5.909 30 20 JKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)c2cccc(C#N)c2)c1OC 518706426 PGQHODXDWKYVJI-JZJYNLBNSA-N 475.548 5.887 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 519414832 YVAWRXCYFZKIFD-HNNXBMFYSA-N 478.578 5.080 30 20 JKED C=CCn1c(SCc2ccc(OCc3ccccn3)cc2)nnc1[C@@H]1COc2ccccc2O1 521535909 UVRZQEMMHGSBOO-DEOSSOPVSA-N 472.570 5.243 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3occc3COc3cccc(C#N)c3)c2)c1 522571433 WIEQHEGJNZKRLL-UHFFFAOYSA-N 462.465 5.107 30 20 JKED COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 524421743 IJQBEKPFHXLMGC-UHFFFAOYSA-N 458.539 5.643 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1 590377763 QLLHORCVOAZNEP-HNNXBMFYSA-N 450.354 5.459 30 20 JKED C=CCN(C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 596344631 BJNUHFGGRBIIDS-CQSZACIVSA-N 480.878 5.038 30 20 JKED C=CCN(C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 596361415 WDNZLKQRCAXNNG-YZIHRLCOSA-N 474.609 5.539 30 20 JKED CCN(C(=O)c1ccc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)nc1)[C@@H](C)c1ccc(C#N)cc1 603737457 INFPMPUTVMXDAM-SFTDATJTSA-N 479.584 5.272 30 20 JKED COc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(F)F 603748604 LIJHNFRJQKFVIH-LJQANCHMSA-N 471.891 5.927 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 604108882 VWTFPKGGVUEIIZ-FQEVSTJZSA-N 491.016 5.390 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 604458565 GFLSEOUGTOFQRH-UHFFFAOYSA-N 483.637 6.299 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 608880210 APBJSFSIBNNWGD-UHFFFAOYSA-N 492.539 5.187 30 20 JKED COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2ccccc2)cc1 608903121 APUPXCMTOAILMV-SANMLTNESA-N 492.535 5.172 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(-n2c(C)ccc2C)n1 609060669 KETQGBRIDVFEJV-UHFFFAOYSA-N 456.571 5.491 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OC(F)F 609078430 QBZMAHYDOVDJBY-UHFFFAOYSA-N 495.526 6.110 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(F)c1 609079590 CWNROELJUWUCQJ-DEOSSOPVSA-N 489.938 5.574 30 20 JKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079610 HVCAMGAAGFXHOR-YIXXDRMTSA-N 490.003 6.422 30 20 JKED COc1ccccc1OCc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)o1 609172763 BJVAILGXQILANH-XMMPIXPASA-N 468.509 5.441 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)c2)cc1 609209993 ZZELLKRCHVKBQQ-FQEVSTJZSA-N 483.503 5.951 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1c(F)cccc1F 609378530 SPUYZMHLBIECPX-KRWDZBQOSA-N 471.451 5.195 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nn(-c2ccc(F)cc2)c2c1CCC2 609389419 HASGGJPAJORARD-QGZVFWFLSA-N 480.634 5.766 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433779 HZIGEFKGPYSFSN-UHFFFAOYSA-N 469.328 5.760 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)(C)C)n2)cc1 613318770 DASJXBVEWMYEKK-FQEVSTJZSA-N 469.614 6.294 30 20 JKED C=CCN(C(=O)[C@@H](C)Sc1ccccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614533355 CBYYQLKHZXSQOZ-OAHLLOKOSA-N 493.075 5.567 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 677560203 JZBLRCMWLBYSGZ-LOSJGSFVSA-N 498.608 5.126 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(C)C)c1 726392918 LGSOFWPTHONSLD-HOYKHHGWSA-N 495.645 5.398 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3ccsc3)C2=O)cc1 726405768 GVKZZEDJZRFHKI-NRFANRHFSA-N 495.029 5.742 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 726413880 VKSAKTKBJQRQCU-CJFMBICVSA-N 482.609 5.401 30 20 JKED CCc1cccc[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1cc(C)c(C)c(C)c1C 726569677 GBYYQZXTKKUQKI-UHFFFAOYSA-O 460.623 5.277 30 20 JKED COc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CC2)cc1 726697488 KWUYAYPZFHEYGS-UHFFFAOYSA-N 472.545 5.158 30 20 JKED N#C[C@@H](C(=O)CNC(=O)CCC1CCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 726732035 SHEFGHQPMCWEQA-INIZCTEOSA-N 450.391 5.380 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc(OC)c(Cl)c2)cc1 726963264 UOQMHVJIIBOHMD-UHFFFAOYSA-O 483.013 5.292 30 20 JKED CCOC(=O)N(C)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 727028499 YYIJFGKIOVPYDA-NRFANRHFSA-N 454.958 5.080 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1 728777715 NDHSLYHGAVIZEQ-IBGZPJMESA-N 488.585 5.655 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1 729887991 AAMAWCMESWOIGK-IEBWSBKVSA-N 455.942 5.034 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)cc1OC 730461726 HBTCRLQOLJPMFT-HSZRJFAPSA-N 497.617 5.004 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 730943916 NGSBWMPEIIGZFF-UQBPGWFLSA-N 480.593 5.956 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)c1 730944560 CLSBSPTUFSPCQJ-KDACPJMLSA-N 492.670 5.911 30 20 JKED Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731070160 HFGQMUULOCVQOZ-OAHLLOKOSA-N 451.573 5.308 30 20 JKED CN(C)S(=O)(=O)c1ccc(C(=O)/C=C\c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 731156434 FGUVRYLURBMHFH-QINSGFPZSA-N 472.010 5.105 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2cccs2)cc1 731305740 ORIZUDOYSSGIRJ-ZHRRBRCNSA-N 495.626 5.054 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N\[C@H](C)c1cccs1 731311269 AGGIWMJFTXEWKD-SJAIDMLHSA-N 485.656 5.414 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 731400512 QELMNSLNVRNZQM-HNNXBMFYSA-N 493.511 5.362 30 20 JKED COc1cc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)ccc1S(C)(=O)=O 747065972 GOGDIDRAFXNWOC-SQFISAMPSA-N 486.593 5.215 30 20 JKED CC(C)(C)N1C/C(=C\c2csc(-c3ccccn3)n2)C(=O)/C(=C/c2csc(-c3ccccn3)n2)C1 747067411 XCCYVABDAIKRII-KLCVKJMQSA-N 499.665 5.874 30 20 JKED CCc1ccc(OCc2nn(CN3CCC(C#N)CC3)c(=S)n2[C@@H](C)c2ccccc2)cc1 747079079 UEIOHBMGUCSVCW-FQEVSTJZSA-N 461.635 5.358 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc(Br)c1OC(F)F 750912149 CZPDTKRUMWJWFZ-BAQGIRSFSA-N 482.277 5.302 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1-c1ccccc1 750912251 VCRWTRASIPYFQO-QHCPKHFHSA-N 457.530 5.086 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 837371312 WKGXAEJBWGWIJM-HOYKHHGWSA-N 490.604 6.066 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 837929602 CSYIZFSNHYQVBQ-QMHKHESXSA-N 494.567 5.644 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 914694662 QUHZBIBXSJKMAW-HRAATJIYSA-N 499.539 5.473 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102688 DABZGCPRWKVAHB-KRWDZBQOSA-N 458.370 5.503 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1nc2ccccc2n1C(F)F 915103964 IMYHOVWNJGOSBR-KRWDZBQOSA-N 490.432 5.179 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC2CCC2)C1=O)Nc1ccccc1Br 915112093 VHJGHYCZLBGBRB-IBGZPJMESA-N 490.398 5.349 30 20 JKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)c1cc3c(Cl)cccc3s1)CCCC2 915376062 IKYFSISSIFUXAZ-HNNXBMFYSA-N 498.004 5.081 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1C#N 915383873 SLWHXIWUBPASIM-LJQANCHMSA-N 477.508 5.391 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)cc3)C2=O)c1 916204390 DQXZJVSMRUGHQC-XMMPIXPASA-N 489.597 5.173 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCOC)cc1 916214854 PUUSEZDFGLEPBY-XMMPIXPASA-N 491.613 5.235 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916903803 VZULRBSQQLXYKN-LJQANCHMSA-N 476.920 5.262 30 20 JKED COCc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)sc2cccc(F)c12 916907060 HEXNMQASAYNLBV-KRWDZBQOSA-N 474.513 5.940 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)nn2-c2ccccc2)cc1 916918781 PXHPLWMRVHJVCP-RUZDIDTESA-N 486.531 5.662 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C 916928925 YRXAIHATFJQQIQ-KRWDZBQOSA-N 473.385 5.236 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1nc(-c2ccc(Cl)cc2)cs1 916976135 KZKYVLYQZGDQAW-QGZVFWFLSA-N 496.976 5.730 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c2ccccc21 917283624 CDCKNAPUCPVRHH-HHHXNRCGSA-N 478.504 5.049 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 917426584 KQKLKFBNJVJRSU-SJKOYZFVSA-N 459.493 6.098 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cs1 917531483 VDWBVEXKRZMZSP-UHFFFAOYSA-N 466.566 5.842 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cnn(-c3ccc(Br)cc3)c2)cc1 917542875 WOCIJAXHUJAQFN-UHFFFAOYSA-N 473.787 5.054 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2nc(C(F)(F)F)nc3ccccc23)cs1 917542908 XVKBNSVNNHVRBM-UHFFFAOYSA-N 470.480 5.544 30 20 JKED COc1cc(C=Nn2c(C)nc3sccc3c2=O)ccc1OCc1cccc(C(F)(F)F)c1 917579504 AYPATRKQNYVJTG-UHFFFAOYSA-N 473.476 5.255 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2C#N)c1 917704021 QLNXIKSYDCXVPX-DEOSSOPVSA-N 484.581 5.036 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)OCC(=O)N(CCC#N)c4cccc(C)c4C)cc3)o2)c1 919056182 AGBUDTXAKCJULA-UHFFFAOYSA-N 494.551 5.433 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccc(Cl)cc1Cl 919513298 HACJMLRPGIRGHL-ZDUSSCGKSA-N 459.285 5.221 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](C)c1cc2ccccc2o1 920200017 BZZZSUGAYGHXKI-NTKDMRAZSA-N 451.526 5.636 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)cc1 920356536 PWVSGAPXIFOIQL-DEOSSOPVSA-N 490.629 5.631 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2c1C 920805059 DTWSLBIGIAYWSL-CYBMUJFWSA-N 486.594 6.069 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)COCC(F)(F)F 921253842 PZZXGUXMRZHTAD-IEBWSBKVSA-N 493.551 5.231 30 20 JKED CC[C@H](C)Cc1c(C)sc2nc(S[C@@H]3CCN(c4sccc4C#N)C3=O)nc(O)c12 1458897173 NATIMBFRUOIZLF-XHDPSFHLSA-N 458.634 5.125 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn(C(C)C)cc2C(F)(F)F)C1 1778196727 ANWCCEZBEZXRJA-PXDATVDWSA-N 497.602 5.208 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3ccccc3)c(F)c1)C2 1779271133 JCSAFEVUVPNJTD-UCVANPEUSA-N 490.619 5.389 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)c2cc(O)ccc2n1 1785881731 IAVYCRKLGPWQOQ-UHFFFAOYSA-N 490.563 5.111 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1 1786364623 KPJYFEZACRONSX-UHFFFAOYSA-N 466.544 5.472 30 20 JKED CC(C)(C)OC(=O)CCCCCCC(=O)NC1(c2ccc(NC(=O)C3(C#N)CC3)cc2)CCC1 1787881408 QTHCWUKTZISHAJ-UHFFFAOYSA-N 467.610 5.107 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789449163 OPISBBKAIQHKLH-HCUBDLJJSA-N 493.648 5.287 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3Cl)CCC2)cc1 1789453082 JJTBSRPXDLOQMD-FQEVSTJZSA-N 469.029 5.808 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)c(O)c3)CCC2)cc1 1789622598 SYXQDWHMJQCTIF-UHFFFAOYSA-N 450.579 5.070 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccc(Cl)cc4)CCC3)cc2)c1 1790144879 PUXYOCNRSMUMSO-VXKWHMMOSA-N 458.949 5.091 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)CCCOc4ccc(Cl)cc4)CCC3)cc2)c1 1790145886 IGXXXXCMAXEWDF-UHFFFAOYSA-N 476.964 5.147 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c(Cl)cccc45)CCC3)cc2)c1 1790258594 AHHXQZYBZJSAMN-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3occc3C)CCC2)cc1 1790472850 QORXCPXOVKIMPR-JOCHJYFZSA-N 493.604 5.033 30 20 JKED COc1ccc2c(c1)CC[C@H](CC(=O)NC1(c3ccc(NC(=O)[C@@H](C)ON=C(C)C)cc3)CCC1)C2 1790568637 XEXANRMRGVQUBR-RTWAWAEBSA-N 491.632 5.125 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)n(C(F)F)n1 1790767677 DSZHCZSCIBEINC-UHFFFAOYSA-N 483.906 5.173 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)cc2)CCC1 1790843960 NDYDYXZALDIRMN-UHFFFAOYSA-N 492.448 5.312 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)NC(=O)CC5)cc3)CCC2)c1 1790982484 XWICPPPBJGTTSH-LJQANCHMSA-N 492.579 5.260 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccco3)CCC2)cc1 1791252543 VEQMFFWADBDPDJ-DENIHFKCSA-N 495.620 5.582 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)[C@H](C3CCOCC3)CN4)CCC2)cc1 1791727837 BIPOZKKJGZFSGH-MHZLTWQESA-N 499.655 5.564 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCCc4cccnc4)cc3)CCC2)c1 1791951267 MQHBGMPWXCMZRA-UHFFFAOYSA-N 452.558 5.032 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c4CC[C@@H]5C)CCC3)cc2)cc1C#N 1792168511 KMRPNFLZJFHLME-SFHVURJKSA-N 497.599 5.180 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)c(F)c3)cc2)CCC1 1792183886 JFSIOVFTZZYVBX-UHFFFAOYSA-N 480.580 5.345 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cc(Cl)ccc12 1797443522 PHKHQNRMTPRTTQ-ACDBMABISA-N 470.089 5.124 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Br)cc2s1 1798085618 FKNGQNPJTFGVCW-IYWMVGAKSA-N 487.463 5.684 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)cc1 1800545611 GKMHWLDLNLLCHR-BCDXTJNWSA-N 476.791 5.278 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Br)c1CC 1800636044 GFGIUZHQLCAUEC-REPLKXPHSA-N 459.428 5.032 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2F)[C@@H]1c1cccnc1 1802494045 AYOSKQMZTCHFFE-HYBUGGRVSA-N 462.569 5.014 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(OC)c2)[C@@H]1c1cccnc1 1802501922 DELBJVFKIGLSFN-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1802502590 JVAQJFRVJDMYAH-SIKLNZKXSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(C)C)nn3ccccc23)[C@@H]1c1cccnc1 1802503032 KHIWDLYRTDQOKH-ATIYNZHBSA-N 487.648 5.165 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1803603082 GUDFPZFFBUKLJK-HRNNMHKYSA-N 489.641 5.148 30 20 JKED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)cc1 1803893321 KLOBXTRVMQBYFY-BCDXTJNWSA-N 476.791 5.013 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1804211845 IYEHSNSLGLAQHY-ATIYNZHBSA-N 498.067 5.592 30 20 JKED N#CCc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)C3)CC2)cc1 1804749626 BEYZGIPLVKVDEF-UHFFFAOYSA-N 474.992 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCc4ccc(F)c(F)c4)C3)CC2)c1 1805203373 IOJJIDUAWJFICK-FQEVSTJZSA-N 479.571 5.069 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c1 1807965781 PPSVBTNPZRUYGL-CUHUQNRHSA-N 484.581 5.150 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1810172212 KWGXZXIDRPLNLH-PQNGQFLHSA-N 477.605 5.523 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)[C@@H]1c1cccnc1 1810492214 JWTULGCVHOJHNL-JYFHCDHNSA-N 465.613 5.160 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810944743 YAIXABGROMXKLV-OFNKIYASSA-N 489.513 5.328 30 20 JKED CC(C)=CCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811252180 TXXLYVOBCBUGLL-BVRKHOPBSA-N 491.635 5.547 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Br)cc(C(C)C)c2)[C@@H]1c1cccnc1 1811982004 FGQQLFWJTLLQKU-WXVUKLJWSA-N 498.465 5.499 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1813051043 RHVMACIHSMPANF-JIPXPUAJSA-N 465.553 5.104 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)[nH]n1 1814445156 AIYCSGCGKQWHRL-FQEVSTJZSA-N 491.558 5.441 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1814570366 XCSPDKAOZMFSSA-FQEVSTJZSA-N 470.533 5.007 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccnc4C(C)(C)C)sc3C2)c1 1815912075 JVABOYBAKYGKSY-LPHOPBHVSA-N 487.629 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n[nH]2)c1 1816942146 HWEGHRXDOGPPQM-JOCHJYFZSA-N 495.505 5.157 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cc2cc(F)ccc2[nH]1 1818990774 MTTBELBJRJBHQS-HSZRJFAPSA-N 489.938 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)[nH]n1 1819301612 MKOCCQSYTVMIKE-APWZRJJASA-N 487.000 5.155 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1819305433 UVDXIXKSYJFAKP-NOZRDPDXSA-N 456.590 5.566 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)[nH]n1 1819307248 QNKSGKUVBFUTBO-TZIWHRDSSA-N 462.550 5.239 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)[nH]2)n[nH]1 1819634577 PKZLLRXLDSGLIB-SFHVURJKSA-N 493.606 5.114 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3c(Cl)cccc23)n[nH]1 1821395291 KZHIYHUHZDOCJM-SFHVURJKSA-N 468.989 5.238 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1821924255 YYWSRIZTGUKLMI-TZIWHRDSSA-N 474.646 5.296 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1821925233 ONXSMGVJSUHZGF-AUUYWEPGSA-N 462.953 5.119 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@H](C)c3ccccc3)n[nH]2)cc1C#N 1822044514 LNWORERGQFBSRR-CPJSRVTESA-N 499.615 5.568 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@H](C)c3ccccc3)n[nH]2)c1 1822046148 USINLVHDUVOAOA-YADARESESA-N 455.562 5.090 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1822394702 UXPKKCCDFOQQRH-JOCHJYFZSA-N 469.545 5.260 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823216136 CABXUIKUUQMNSH-XEIBQFTQSA-N 497.599 5.455 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccccc3F)CC2)n[nH]1 1823446791 AQJGHSRODYWUDA-XMSQKQJNSA-N 450.558 5.041 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824055737 CSQRUAQCBINNJI-RBISFHTESA-N 482.628 5.051 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 1824137707 MRMRVMQPLPUSCB-TWJOJJKGSA-N 452.614 5.317 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824226116 JRRQBRVLVVVYGS-IGKIAQTJSA-N 477.649 5.107 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CSC2CCCC2)CC1)c1ccc(O)cc1 1824478579 SBKVOUZYBRHNMH-IGKIAQTJSA-N 496.717 5.185 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1824538006 BKAKPCWFSCFKKN-NQIIRXRSSA-N 480.099 5.137 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cc(C)ccc2C)CC1 1824951028 KQXDULUPODUUGN-JWQCQUIFSA-N 452.639 5.070 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1826690376 VFSKRCCPCGCKIQ-QHCPKHFHSA-N 482.422 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828134020 SGKOVYLJGQOXDT-FGZHOGPDSA-N 451.636 5.298 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c1Cl 1828188774 MAIZDYRFOCAKTN-QFIPXVFZSA-N 475.976 5.505 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)cc1 1828188893 WUHRUMPCMJVYML-VWLOTQADSA-N 469.585 5.171 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1828822137 FOHNRHYAVQMEMI-XUZZJYLKSA-N 493.475 5.760 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1828829576 DWAFGPBVTYHRLC-BEXSJWOMSA-N 468.613 5.236 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 1829068596 GTAFNPUTILYUQV-RUZDIDTESA-N 462.638 5.098 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1829647256 GDHIMTRIGSJRET-NBGIEHNGSA-N 467.654 5.179 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)cc2s1 1829689894 VGTGKJUQXKDCTR-QFIPXVFZSA-N 495.048 5.610 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829868480 MZJSHQHQBVCSDZ-JOCHJYFZSA-N 497.064 5.266 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)c1 1829957427 NDHHNYZDEPMAER-HSZRJFAPSA-N 487.497 5.263 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4sccc4c3O)CC2)cc1 1830017464 YZPXWOFLTLQBER-QHCPKHFHSA-N 473.598 5.026 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1830596563 GDPZRJNRKBCARA-HHHXNRCGSA-N 487.644 5.212 30 20 JKED CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CCC1 1830685557 QQMATJQXUDDUFY-QFIPXVFZSA-N 486.454 5.134 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c(Cl)c1 1830720401 JUIRXGSGDGBJHB-VWLOTQADSA-N 494.010 5.316 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830872842 JZWZLJRBXHZNOI-VWLOTQADSA-N 484.040 5.104 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2O)CC1 1830954880 PNAYKCICVADBPA-NFBKMPQASA-N 450.579 5.140 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c1 1830973892 RGPIGPGJAOHZMN-SIBVEZHUSA-N 486.641 5.470 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1831445564 OXOOKGOOSJXJNS-BHIFYINESA-N 464.984 5.275 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1831446602 CKRZYLQMQIEMEW-SFHVURJKSA-N 477.354 5.577 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1831850639 IXXQBWCWWJSZRV-HXUWFJFHSA-N 457.039 5.592 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832550101 MDBQDYNUPXACIA-CPJSRVTESA-N 461.581 5.308 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1 1832629470 RPTHFMGSGFSETO-KDYSTLNUSA-N 487.619 5.418 30 20 JKED CCc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc(C)n1 1832631952 JRVAQJAFTDFYSO-HRFSGMKKSA-N 472.633 5.127 30 20 JKED Cc1csc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633383 BOSROEACWMXNAH-QFQXNSOFSA-N 477.674 5.550 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)c1 1832635735 QDWSOGAXWXOLPY-VHSZZVNMSA-N 457.618 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1832692715 BNVWHWJWXZYOQW-BJKOFHAPSA-N 468.638 5.014 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832712773 HSNQNTONCGBYOA-IIBYNOLFSA-N 454.508 5.290 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)c2ccccc12 1832789108 KFCUYAAGGGLUJE-HHHXNRCGSA-N 471.645 5.394 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)CC1 1838166520 IMXWWPFIPJJYKW-DEOSSOPVSA-N 493.673 5.191 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2cc(Cl)cc(Br)c2[nH]1 1847264319 YFJDCJIVVHLWJD-OALUTQOASA-N 492.845 5.392 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1 10279095 AVJCFIFRTYLWMS-AREMUKBSSA-N 498.656 5.380 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4cccs4)nc4ccccc34)CC2)cc1 10707736 JCPMNEUOHGRYHY-UHFFFAOYSA-N 452.583 5.183 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083000 BHRKNXSVXKMBNN-UHFFFAOYSA-O 466.646 6.331 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nc2sc3c(c2c1=O)CCCC3 11148270 CZYINIXDJBELPV-QGZVFWFLSA-N 467.660 5.567 30 20 JKED Cc1cc(C)c(Nc2nnc(SCC(=O)[C@H](C#N)c3nc(C)cs3)s2)c(Cl)c1 16328525 LFYFVHVDTNGRIC-LBPRGKRZSA-N 450.014 5.285 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc(C)c(C)c2c1=O 17652935 DRURMEBECRPAMA-CYBMUJFWSA-N 469.548 5.072 30 20 JKED Cc1cc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 22791059 VYKOFUZJFQLFQX-UHFFFAOYSA-O 485.698 6.014 30 20 JKED Cc1csc(SCc2ccccc2C(=O)OCC(=O)Nc2ccccc2SCC#N)n1 22845306 IDMGTDCSZVNWBT-UHFFFAOYSA-N 469.613 5.155 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C2/C(O)=Nc3c2ccc(C)c3C)c(C)c1 24036131 XHZFCDNMCMFMQN-UHFFFAOYSA-N 493.545 5.047 30 20 JKED C=CCn1c(SCC(=O)OCc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl 24163057 NKHSFRQUORVQKQ-UHFFFAOYSA-N 479.345 5.182 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nc2sccc2c1=O 36800040 KHNGZOPKBFBWAJ-HXUWFJFHSA-N 498.029 5.778 30 20 JKED CC(=O)Nc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)s2)c1 46587671 LXVZYJFIFBJZMK-UHFFFAOYSA-N 498.659 5.173 30 20 JKED CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 60094159 RHPGGDIMALMPLG-UHFFFAOYSA-N 451.573 5.113 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1 108373920 ILFOYQHOZVHULF-UHFFFAOYSA-N 469.541 5.014 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H](C)C2CC2)c1 195533763 LOEJWNGGSOHMGY-QGZVFWFLSA-N 459.011 5.124 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 195659653 YDTIHBPMRVOJSV-AWEZNQCLSA-N 462.720 5.582 30 20 JKED N#CCCNC(=O)CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 207756743 FBAOOBZGXRHLQU-LFIBNONCSA-N 493.803 5.154 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1c1ccccc1OC 254746338 BHLRRSJPNHCXNY-QFIPXVFZSA-N 497.523 5.147 30 20 JKED CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 255933390 LDCLCEXALQBXPF-UHFFFAOYSA-N 453.999 5.518 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)cc1 302952813 AVGIIOCMZHYFAF-FQEVSTJZSA-N 459.933 5.495 30 20 JKED COc1ccc(Sc2ccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cc2Cl)cc1 303119291 FFUGTPCOMXZRMH-UHFFFAOYSA-N 475.961 5.392 30 20 JKED C=CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1nc(C(=O)OCC)cs1 501910219 CNKNQOZQRFHZGC-UHFFFAOYSA-N 490.560 5.073 30 20 JKED CCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nnc2ccccn12 506317282 SDJJDUKLEJAIME-HXUWFJFHSA-N 460.925 5.710 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)c(C)c1[N+](=O)[O-] 511133581 ACCPGNDDURUJFH-UHFFFAOYSA-N 457.515 5.309 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)c2)c1 511768935 HZOBIGIHKRSHNB-UHFFFAOYSA-N 486.616 5.394 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 512314681 OLJMUTOQVKQLDE-UHFFFAOYSA-N 453.542 5.406 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(-c4ccc(Cl)s4)n3)c2)cc1 512798936 ZZYPQOGMGTUSEL-UHFFFAOYSA-N 480.014 6.351 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2I)cc1 513957539 ZYAMYVDGJFIYSJ-UHFFFAOYSA-N 485.300 5.536 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2)cc1 514075897 NWAACZJUQFRVDB-UHFFFAOYSA-N 466.562 5.016 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C 514558987 OUVKXYGUSQSXDT-QZTJIDSGSA-N 483.996 5.421 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 515656208 ORESSGDIHKYJEL-UHFFFAOYSA-N 473.479 5.836 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cn5cc(C)ccc5n4)c3)n2)cc1 516270140 NKZJEYZDWKOJRV-DEOSSOPVSA-N 494.576 5.844 30 20 JKED C[C@H]1CCCCN1Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 517077378 NFAZJBAKAUAOPP-NRFANRHFSA-N 498.652 5.916 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 517461725 MSNVGLUJJOGRNS-HXUWFJFHSA-N 482.609 6.111 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 517898844 SZAOKUOTGFMVBQ-UHFFFAOYSA-N 457.374 5.671 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1OCC 520221628 LGLZEXREULARAB-UNMCSNQZSA-N 464.375 5.562 30 20 JKED CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 520453435 ZJRYTGGENFRVAS-OAQYLSRUSA-N 464.569 5.572 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 521613615 PBDBHJSDXIXJRL-UHFFFAOYSA-N 459.933 5.200 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCCOc1ccc(I)cc1 521726179 NBVGFWSZKJDPQX-OAHLLOKOSA-N 480.371 5.341 30 20 JKED Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)n(-c2ccc(C(F)(F)F)cn2)n1 521823772 MERGNVKXQONYMT-UHFFFAOYSA-N 456.472 5.156 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 523276526 SEOWOTHEWGDLOJ-LJQANCHMSA-N 457.530 5.306 30 20 JKED CN(Cc1ccccc1)c1ccccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 556391963 GDPFSEGQMIWCHC-UHFFFAOYSA-N 476.584 5.097 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)c1 597554407 IRPRHWDOMJQOSZ-HXUWFJFHSA-N 459.619 5.248 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cn2)c1 603692235 DWHROYKWKQFJFP-UHFFFAOYSA-N 467.451 5.118 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1 603948012 RJDIJYANSNCATO-UHFFFAOYSA-N 482.940 6.367 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 604365098 GVMZXESEGMKXAI-UHFFFAOYSA-N 490.563 5.802 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 608794052 GPZGMQKRCDEVPT-HXUWFJFHSA-N 487.579 5.433 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(OC)c1OC 609006195 DHIVLPQJRWAETJ-OAQYLSRUSA-N 482.989 5.653 30 20 JKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 609062173 CRQWXHNXEXSHND-UHFFFAOYSA-N 473.964 5.330 30 20 JKED N#Cc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(F)c1 609252609 WMZWXZBJWIUYLZ-UHFFFAOYSA-N 456.399 5.290 30 20 JKED CC(C)Cn1c(SCC(=O)N[C@@H](C#N)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 609602374 HHFWDBDJDKNPKJ-IBGZPJMESA-N 492.407 5.520 30 20 JKED C=CCn1c(S[C@@H](C)c2nnnn2-c2ccccc2)nc2cc(-c3ccccc3)sc2c1=O 643094616 HTMWQPUSMSOHFM-INIZCTEOSA-N 472.599 5.140 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2ccccc2)N=C1C 725764558 ZGDJSDSCTUADHH-UHFFFAOYSA-O 468.602 5.959 30 20 JKED CC(C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\CCc1ccccn1 726112721 XFUFBAYMXYXJME-RMWQGCJTSA-N 492.567 5.018 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2C2CCCC2)cc1Cl 726407556 SPLUSIDCJGDWCE-HXUWFJFHSA-N 497.964 5.023 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(F)c2)cc1F 726409598 BSVGNPXXZSRMPZ-QFIPXVFZSA-N 499.514 5.273 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCCOC1CCCC1)c1cccs1 726420196 HQGYBZWNOWYJIT-RHNYJVSXSA-N 485.675 5.487 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(C3CCN(C4CC4)CC3)C2=O)cc1 726420399 LOLAYGLPRZWGNP-UKIVZVEXSA-N 496.702 5.073 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1ccccn1)c1cccs1 726421795 RZLDQKQFFDCYDZ-URSBWBDFSA-N 482.606 5.433 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1Cl 726891674 PMYZEIZWFFXDEY-OPAMFIHVSA-N 495.004 5.465 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3cc(C)c(Cl)c(C)c3C2=O)cs1 727780057 GAXRQEXCTBRTFG-OQLLNIDSSA-N 456.926 5.896 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3csc(-c4ccc5c(c4)OCO5)n3)cc2c1C 728440559 PZCIGOYUAMRDAR-SNAWJCMRSA-N 464.524 5.140 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1CCCCC#N 728777698 MVGAFIRMACHOQB-JOCHJYFZSA-N 498.052 5.369 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)cc1 729146608 UQNRWMWUTBATSA-OAQYLSRUSA-N 489.626 5.046 30 20 JKED COc1ccc(/C=C2\N=C(SCc3ccc(OCC#N)cc3)N(c3cccc(OC)c3)C2=O)cc1 729242613 WYHSXPSUEDWHHO-XYGWBWBKSA-N 485.565 5.283 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730652303 VNZZAOQTDVSMPQ-UHFFFAOYSA-N 496.898 5.013 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cocn3)C2=O)cc1 730713064 LLMJTWWUWUNSHE-HSZRJFAPSA-N 492.601 5.241 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 731070248 UIOIBTXDOXGKRD-QGZVFWFLSA-N 491.544 5.268 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1SC(F)(F)F 731073002 HGYMJHQYNXJDAQ-CYBMUJFWSA-N 454.495 5.488 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731308997 RTZVWSLHTKLLDC-LJQANCHMSA-N 489.981 5.407 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2cccs2)c1 731312452 MEWAFYPMNFDJFQ-OAQYLSRUSA-N 483.590 5.104 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 731400513 QELMNSLNVRNZQM-OAHLLOKOSA-N 493.511 5.362 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N([C@@H](C)c3ccccn3)C2=O)c1 743526195 OQTBDZJCEPRDRQ-GAJHUEQPSA-N 492.576 5.259 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc3cccnc23)c1 744993736 MJVRFNFYURYWSH-DEOSSOPVSA-N 496.592 5.404 30 20 JKED C[C@H](Oc1cccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)c1)C(=O)O 745020336 DCFBSMXFXANJKG-YXVBKTCISA-N 458.333 5.321 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cccc(Cl)c2Cl)C1=O 745584023 LCIRKRVGNKCHIW-OAHLLOKOSA-N 474.772 5.054 30 20 JKED COc1ccc(-c2cnc(CCC(=O)N3CCSC3=Nc3cccc(Cl)c3C)o2)cc1 746355737 DRUGPJZUXGCQII-UHFFFAOYSA-N 455.967 5.508 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 749785605 KTVSCXPUUGFBQT-OAHLLOKOSA-N 470.982 5.538 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C(C)C)cc1 799216449 VSTWNMSXDFIUQA-OAQYLSRUSA-N 469.994 5.066 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCc1nc2cc(Cl)ccc2n1Cc1ccccc1 899208932 HRSHDHRNSWLYSX-UHFFFAOYSA-N 474.948 5.003 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cc(Cl)ccc3Cl)n2N)c1 913589340 IDISDAPLQYIHQQ-OAHLLOKOSA-N 489.432 5.010 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 915088684 UVLBMGCEKXDRCH-VSGBNLITSA-N 459.549 5.842 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 915179992 KAGQBMQDAMXXAF-XMMPIXPASA-N 479.001 5.721 30 20 JKED CC(=O)N(c1nc(C=NNC(=S)Nc2ccc(C)cc2C)cs1)c1ccc(F)cc1F 915913121 RRVZYARDBCWZRE-UHFFFAOYSA-N 459.547 5.043 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(OC)cc1 916213358 BQLXQBZTMCXLGZ-QFIPXVFZSA-N 467.591 5.048 30 20 JKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1OC(F)F 916273374 ZICOLYGEHGZLSF-UHFFFAOYSA-N 475.904 5.579 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ncnc3sc(C)c(C)c23)cs1 916309390 JMRZTSPOAHGTHB-UHFFFAOYSA-N 456.984 5.549 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 916909590 PRVCWKCUSAVTHB-HXUWFJFHSA-N 498.489 5.393 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916924618 ACPGZUSOTDCQKN-SFHVURJKSA-N 474.904 5.146 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 916947673 AARTWODAJAAWOW-QVKFZJNVSA-N 477.561 5.923 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cs1 917560460 ZJQHARXRUJEGCR-FMIVXFBMSA-N 479.026 7.414 30 20 JKED CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1cccc(NC(=O)c3ccccc3Cl)c1)CC2 917603051 NUQZHPILCSPWQJ-LGMDPLHJSA-N 462.933 5.618 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2ccccc2c1 917699747 CDTVQDXHGAIYNL-DEOSSOPVSA-N 475.614 5.453 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](c1ccccc1)C1CC1 917702690 IGHXJKDKPUINJN-AOYPEHQESA-N 498.583 5.809 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(C)c(C)c2)c1 917807562 RAQSWHQIRONKRB-UHFFFAOYSA-N 469.006 5.615 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2cc(Br)cs2)n1 918487826 YFTGAJCOHQFMRP-SNVBAGLBSA-N 484.759 5.388 30 20 JKED O=C(/C(=C\c1ccc(F)cc1)c1cccs1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918672529 STCZNAADLKTUIM-TZZOCQFFSA-N 451.407 6.017 30 20 JKED C=CCn1c(SCC(=O)OCc2csc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl 918799624 YRFLTWYDFKCBHU-UHFFFAOYSA-N 485.374 5.243 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 919171814 DZYSOTUKPSWDLY-LBPRGKRZSA-N 485.751 5.256 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cc1 919665560 BZSYLQICIYCGTK-LJQANCHMSA-N 493.903 5.573 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)n2)cc1 920139650 WPQIKHXTURFSAB-UGKGYDQZSA-N 474.586 5.248 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2c(C)noc2C)C1=O 920354877 ICHUALWAXDREBK-QHCPKHFHSA-N 492.601 5.077 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2)no1 920355094 KBHOLFXHZXMFBU-QHCPKHFHSA-N 470.554 5.297 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)cc1 920356437 PGOFPSZZLIRWBN-JOCHJYFZSA-N 480.565 5.153 30 20 JKED Cc1cccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)c1 920805158 AIFAYBLKFQIGKM-INIZCTEOSA-N 451.523 5.939 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NC2(C#N)CCCCC2)ccc1Cl 920974194 SLGRVPTVFIQVFR-UHFFFAOYSA-N 492.428 5.331 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccnn4-c4ccccc4)CCC3)cc2)cc1 1785795915 KLGOGQLRMJZFHR-UHFFFAOYSA-N 489.579 5.124 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)ccc5[nH]4)CCC3)cc2)cc1 1785881732 IBEMSSYGOZHVAB-UHFFFAOYSA-N 466.516 5.169 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1786551752 QZFMNZCYYLXRED-UILWBTOOSA-N 481.637 5.170 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(Br)cc34)CCC2)cc1 1786679063 ZLPJPOYBVDEGSG-UHFFFAOYSA-N 498.446 5.597 30 20 JKED CCn1nc(C)cc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1788424333 BRXPGLSWWZEXTR-UHFFFAOYSA-N 464.686 5.010 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3-c3ccccc3)cc2)CCC1 1788671074 IVCXKLNNBVWRTQ-UHFFFAOYSA-N 465.500 5.609 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CCN4CCCC4)nc3)cc2)CCC1 1788687468 CVJUREHZXOFYEZ-UHFFFAOYSA-N 488.676 5.460 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)cc2)CCC1 1788728090 ALNZEPYSXPLRDO-KRWDZBQOSA-N 492.542 5.636 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC(c4ccccc4)=NO3)CCC2)cc1 1789450062 ZXVNMSQXVNGWQM-ILBGXUMGSA-N 457.574 5.082 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)Cn3cnc4ccccc43)CCC2)cc1 1789510071 YSQSMUCRWHRROH-UHFFFAOYSA-N 486.692 5.222 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4occc4n3-c3ccccc3)cc2)CCC1 1789994222 NMZHBQUOCQISGO-UHFFFAOYSA-N 452.514 5.275 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4[nH]nc5c(Cl)cccc45)CCC3)cc2)cc1 1790289727 OFBKUGJIAZARNV-UHFFFAOYSA-N 483.959 5.078 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCCC4(F)F)CCC3)cc2)ccc1F 1790521741 XYRUWRRRBKCOTI-NRFANRHFSA-N 469.507 5.199 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)CCC1 1790611280 JDTYUFHNUVEKSV-GOSISDBHSA-N 486.012 5.676 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)CCC1 1790691713 COENPXGYIJCVSW-QFIPXVFZSA-N 486.616 5.643 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCCC4(F)F)CCC3)cc2)cc1 1790705266 OWMYWPIUOUHMAT-JOCHJYFZSA-N 451.517 5.326 30 20 JKED CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790764047 RXGGLTNDGLTEDJ-UHFFFAOYSA-N 460.509 5.008 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccc(F)cn45)CCC3)cc2)c(Cl)c1 1790767701 ILJJJFHVPYKBLM-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccc(F)cn45)cc3)CCC2)c1 1790964063 AYAYFTUBVJEZRN-SFHVURJKSA-N 481.531 5.162 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccc(Br)cc4c3C)cc2)CCC1 1791008556 KHJMDYAWWWLMLR-UHFFFAOYSA-N 466.379 5.563 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)Cc4ccncc4)cc3)CCC2)c1 1791039467 IOSKFLJUOZEWQU-NHCUHLMSSA-N 466.585 5.335 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(Br)c(F)c3)cc2)CCC1 1791147561 ZVXDHBXTLFKSGQ-UHFFFAOYSA-N 471.370 5.068 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791244697 YAWBXTSPUAJLHE-SIKLNZKXSA-N 469.626 5.122 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791252709 YEESYWRQVQROFN-DENIHFKCSA-N 471.642 5.272 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3c(Cl)ccc(OC)c3F)cc2)CCC1)C(F)(F)F 1791664270 NXDYPNNZKWBWMO-UHFFFAOYSA-N 484.877 5.283 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4cnn5C)CCC3)cc2)c1 1792123993 XHMWNDFTJKRGPU-LJQANCHMSA-N 477.568 5.262 30 20 JKED CCN(CC)C[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792127149 RCHPUUNCGVFVTE-NHCUHLMSSA-N 460.622 5.039 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1 1792241010 OFYOQYDBKKXOFQ-KESTWPANSA-N 466.544 5.472 30 20 JKED COc1cc(F)ccc1CC(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1792361551 ZYOVQSGHHMVUMP-UHFFFAOYSA-N 485.559 5.015 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 1796964964 MMZLKIDMJSJVGX-NUNAXRQHSA-N 473.960 5.232 30 20 JKED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 1800556206 WUJNDRPUNFRQMK-BKFWDETESA-N 482.665 5.043 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1804756053 NVPJPXRNYAEANE-UHFFFAOYSA-N 475.633 5.235 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1805371284 JLHBBYREFMYXIP-FKCDAAJZSA-N 484.600 5.133 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)CC2)C1 1805459550 NSVQJHJNQMWSPV-RPWUZVMVSA-N 499.493 5.552 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4C[C@H]4c4ccc(F)c(F)c4)C3)CC2)c1 1805615186 JZKUVOZMZMSHCL-YGOYIFOWSA-N 491.582 5.240 30 20 JKED N#CCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)[C@H]1c1cccnc1 1806286091 ZPEHMBUSQCZJHN-IADCTJSHSA-N 490.563 5.260 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC[C@@H]2CNc3ccccc3C2)[C@@H]1c1cccnc1 1807202381 GIYMERSKBBWAEF-DLNIMUOOSA-N 488.676 5.144 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cc3cccnc3cc2F)[C@H]1c1cccnc1 1808192928 SUQZBIGMGYIDCI-AJTFRIOCSA-N 488.607 5.010 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CC3CCC(C)(C)CC3)[C@H]2c2cccnc2)c1 1808904471 OZPBPVNTDDWYKF-RPLLCQBOSA-N 472.633 5.188 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)oc2ccccc12 1809159853 WGSRGNLKQORZHD-AJTFRIOCSA-N 497.982 5.161 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1809214183 GTXGMGSEBFGFOF-IRYADYCUSA-N 496.655 5.389 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@@H]1c1cccnc1 1810271777 JXDXCRXEBXYYMI-SQJMNOBHSA-N 482.100 5.106 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@H]1c1cccnc1 1810511073 VMFJPNCASHVDKG-JKJMAWGESA-N 485.603 5.343 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2Cl)[C@H]1c1cccnc1 1811132414 QMWWCOSXYXMELP-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1811142339 YBRRKPRVAZBXSL-RRMPHLOHSA-N 479.930 5.286 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1Cl 1811735406 ZUYGWBKFXGOMEJ-RDPSFJRHSA-N 493.394 5.202 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1812471960 GARIHQSUKPWDJM-ZJEYLKNESA-N 498.602 5.046 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1812596011 CBUZWICMXJZSTD-MVQDXTSDSA-N 499.630 5.272 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1)C(F)(F)F 1812682402 OTFZYERBMUUONR-KSEOMHKRSA-N 493.957 5.299 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1812807830 CRJBWQVISSSUMF-SHQCIBLASA-N 474.649 5.578 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1813227519 FJIZPRWQCCLLKE-YADARESESA-N 472.416 5.210 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)[nH]n1 1814444196 XJAHHABMJYZGPL-IBGZPJMESA-N 483.016 5.318 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1815207302 CRCRSVRYFPRIAB-GOSISDBHSA-N 487.025 5.567 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)cc1 1817588375 RNFZUXNCHFRLDS-AREMUKBSSA-N 494.599 5.020 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccn3c2)n[nH]1)c1ccccc1 1817820332 HZDKDNSJSSOGDS-GMAHTHKFSA-N 485.613 5.227 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccoc3c2)n[nH]1)c1ccccc1 1817926052 ZXEVMBOGXQWRKO-ZJSXRUAMSA-N 481.556 5.054 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccccc4o3)n[nH]2)cc1C#N 1818633947 PFZWTOHLJQIBOR-QFIPXVFZSA-N 497.555 5.434 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c3ccccc23)n[nH]1 1818984155 UOENEENEJHBXBF-HXUWFJFHSA-N 494.393 5.181 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1819365301 HEVCYTBIMRDHJS-ZEQRLZLVSA-N 490.579 5.095 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc(Br)c2C)n[nH]1 1820225333 GDOZMNHGCJFDMR-HXUWFJFHSA-N 489.389 5.119 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1cccc(C(F)(F)F)c1F 1821088658 FCHISPRJLYEOLF-AWEZNQCLSA-N 480.384 5.216 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc(Br)cnc23)n[nH]1 1821548872 DSXBFMIZOOJXKE-FOIQADDNSA-N 496.409 5.239 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc4cccc(Cl)c4c3)n[nH]2)cc1 1821568977 CIOMIEDVNUJCSM-DEOSSOPVSA-N 498.974 5.297 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc(Br)cnc23)[nH]n1 1821925663 XJBFJXUIZNZYMU-YWZLYKJASA-N 496.409 5.239 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[nH]n1 1821925917 CIFMXOVRGQHJAO-RMYQPGKMSA-N 485.426 5.180 30 20 JKED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1cccs1 1822707650 OTPWTWVNBROEPD-KSSFIOAISA-N 467.982 5.106 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)[nH]n2)c1 1823216565 WRPDWDHKHXLNSV-KQUPGTECSA-N 467.520 5.088 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1)NC(=O)OC(C)(C)C 1823348327 XXFJYUANLXPDRQ-YOPMBXEFSA-N 499.656 5.008 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)CC1 1823668823 KYAJYEOCQXGFDV-FQEVSTJZSA-N 466.453 5.614 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)CC2)C1 1823703436 ZGKWLQKNKHUBDN-TZRRMPRUSA-N 485.466 5.139 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Br)CC2)c1 1823929642 BYSAPSNBJUPBTN-QHCPKHFHSA-N 498.396 5.007 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)cc2F)CC1 1823930161 FBMWWJMYFIFPHO-LJQANCHMSA-N 487.360 5.033 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1824632443 YENWIVUWHYOAAP-HXUWFJFHSA-N 499.524 5.492 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)CC2 1825254938 YJRXGUJIUUOZET-CQSZACIVSA-N 490.963 5.090 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3)CC2)cc(C(F)(F)F)c1 1826465076 BINOMSCBYBLBFW-DEOSSOPVSA-N 483.534 5.053 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)CC1 1826681275 VWHAQQXRGNBQLI-NDEPHWFRSA-N 492.623 5.439 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1828823050 NYZGGUVSALFFSR-IZZNHLLZSA-N 452.639 5.016 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 1828824667 NYOOCXDRDMGTIY-AHKZPQOWSA-N 461.650 5.109 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCn2cccc2)CC1 1829038834 SFTPHXNKISSTIT-AREMUKBSSA-N 483.773 5.329 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(OC)cc2F)CC1 1829068637 IOTOYAUHPUVBJM-QFIPXVFZSA-N 462.581 5.199 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1829701392 FXWGFFIPESHNOZ-DEOSSOPVSA-N 493.966 5.644 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3F)CC2)cc1C#N 1829886603 JHXJERDZNHLCDD-RUZDIDTESA-N 495.570 5.171 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)c1 1829953499 CUCBDBFZLXRLEG-SANMLTNESA-N 494.035 5.304 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)c1 1829956880 WGUCJQFEYYLBGS-ILBGXUMGSA-N 476.020 5.175 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccccc3Br)CC2)CC1 1830391849 MTSIWKPPSCGXNJ-DEOSSOPVSA-N 499.493 5.294 30 20 JKED O=C(c1cccnc1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601894 LGEAOUYUEPXOGQ-GDLZYMKVSA-N 477.608 5.029 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831018684 YFMDPRZBUZFDFU-DHIUTWEWSA-N 474.070 5.076 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1831852509 OXNCYXHHGKSWHM-NRFANRHFSA-N 468.947 5.396 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2F)CC1)c1ccc(O)cc1 1831922086 WXUHZKWCKONYCI-XUZZJYLKSA-N 482.621 5.023 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1832029225 YPZBQQHCLOKORK-AREMUKBSSA-N 463.597 5.248 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 1832629101 IWUUVZYGZVVDQX-BVZFJXPGSA-N 481.999 5.653 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccccc2CC)c1C 10172690 HZAWGKMXMAXVHV-UHFFFAOYSA-O 478.638 5.326 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccc(CC)cc2)cc1 10173850 WSRZJXOXIZJICY-UHFFFAOYSA-O 461.651 6.284 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179055 KEYSJPOARFPDJQ-UHFFFAOYSA-O 464.825 6.548 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc2c(c1)OCCO2 10179566 FVQYWMVGXQVOGR-UHFFFAOYSA-O 453.971 5.012 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)no2)nc2scc(-c3ccc(C)cc3)c2c1=O 10921263 WQBLDTNUANHFHE-OAHLLOKOSA-N 466.588 5.035 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2cccc(Br)c2)c1 11089325 ZLHWWQFVYGJJBZ-UHFFFAOYSA-O 460.442 5.774 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2cccc(CO)c2)c(Cl)c1 11089542 FGJMSDJKVCTQTN-UHFFFAOYSA-O 461.941 5.066 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nnc2-c2ccccc2)cc1C 21174690 ZPEYVAKHHOBVCZ-UHFFFAOYSA-N 485.638 5.898 30 20 JKED C[C@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)N(CCC#N)c1ccccc1 21683943 QZVPZMOKQIMWLV-HNNXBMFYSA-N 480.640 5.151 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1 21754306 WQOAZIKKLWABJK-GOSISDBHSA-N 470.623 6.441 30 20 JKED C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 22719754 JFBSAJPVELZHJE-XYYIANASSA-N 450.318 5.150 30 20 JKED N#CCCN(C(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)c1cccc(Cl)c1 29590789 XATLSVIXVNYYJK-UHFFFAOYSA-N 498.992 5.483 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1 72050816 TZRRPFOIVGLXLP-GOSISDBHSA-N 472.536 5.848 30 20 JKED Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 107647688 XTOQPROEABVAPZ-QFIPXVFZSA-N 452.963 5.106 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 109906314 HYBYEZLTVARVTN-UHFFFAOYSA-N 476.321 5.233 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)sc2c1CCCCC2 255931506 CGBKZBLWRGDGDO-UHFFFAOYSA-N 474.995 5.235 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3O)s2)cc1 302976321 IYGIVMLCRMTOQZ-UHFFFAOYSA-N 490.491 5.094 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)NC(C)=O 476871488 JQTQGNIFVLHKAL-RUZDIDTESA-N 473.548 5.205 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 481811045 ZBAXNVDEDDJVEE-UHFFFAOYSA-N 491.507 5.091 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCc2ccccc21 484876852 DLJFAYCUKSCFQH-AHWVRZQESA-N 471.988 5.860 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccc(C)cc4F)c4c3CCC4)n2)cc1 499575409 QJYAVWVQYUPOEA-IBGZPJMESA-N 472.545 5.431 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 499890384 WTQFLHOEXXFMNS-QFIPXVFZSA-N 453.311 5.239 30 20 JKED Cc1ccc(N(CCC(=O)Nc2ccc(C(C)(C)C#N)cc2)S(=O)(=O)c2ccccc2)cc1 499993202 SUBONJKOQOFKEB-UHFFFAOYSA-N 461.587 5.020 30 20 JKED N#Cc1cn(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c2ccc(Br)cc2c1=O 502835521 BTGNPRFCEGOUOY-UHFFFAOYSA-N 482.337 5.667 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 505523495 JHTWJJIFPWVRMV-IFMALSPDSA-N 495.526 5.594 30 20 JKED C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 506294835 LIBKNHHUKMSNTH-RLWLMLJZSA-N 454.574 5.289 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 508218558 ZQPLOIMRQRXGHA-UHFFFAOYSA-N 490.028 5.492 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)c2)cc1 511774356 DRRZHLFMALQCJI-DEOSSOPVSA-N 492.000 5.139 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)n2)cc1 512505378 YNYHHRLXDJONJJ-DHLKQENFSA-N 490.544 5.114 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1cccc(C)c1 513276822 STCSELMISRGTBS-UHFFFAOYSA-N 458.374 6.089 30 20 JKED N#C[C@@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513654991 OTCSMBSVRTZJAW-FQEVSTJZSA-N 471.607 6.058 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)nnc1-c1cccc(C)c1 514842288 HKFAIPKKQPKRSQ-UHFFFAOYSA-N 484.629 5.343 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 515987175 NXIBHJDOGJQWFC-UHFFFAOYSA-N 458.945 5.526 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-])c1ccccn1 516714115 QCPBFFKTTVFYAY-OXJNMPFZSA-N 494.536 5.648 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 517825343 WOECOWWXEBJJGI-UHFFFAOYSA-N 462.509 5.583 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)n2)cc1 518173260 GZVUSEPYGAEYDW-UHFFFAOYSA-N 479.487 6.016 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 518240925 LVWXVOSHBHTTTJ-MRXNPFEDSA-N 475.536 5.591 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 519451157 RNEAIMRTUPNXTC-TZIWHRDSSA-N 467.635 5.975 30 20 JKED Cc1ccc(-c2c(C)sc3nc(CSCC(=O)NCc4cccc(C#N)c4)nc(O)c23)cc1 519892123 NZZOROBMPVCWAG-UHFFFAOYSA-N 474.611 5.102 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 519986492 QQARMWXILGALFX-UHFFFAOYSA-N 455.914 5.910 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 520141868 JUCYTUUHIWIVCS-UHFFFAOYSA-N 484.306 5.031 30 20 JKED C[C@H](NC(=O)CC1(CC(=O)N[C@H](C)c2ccc(C#N)cc2)CCCCC1)c1ccc(C#N)cc1 520637804 IJSDZOGWHDBCJS-OYRHEFFESA-N 456.590 5.215 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(OCc4ccccn4)cc3)cc2)c1 520940413 QOSBWMHSQDUFCG-UHFFFAOYSA-N 450.498 5.646 30 20 JKED CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 521072334 XHKPHWQLPOHRJI-XMMPIXPASA-N 464.972 5.730 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 521733085 FQQJZMOFAPHXDT-KRWDZBQOSA-N 492.066 5.212 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nnc2ccccn12 523201866 UYWHRPIMVFBRJK-QFIPXVFZSA-N 460.925 5.565 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 523243235 YCNZNUPXERXPAE-UHFFFAOYSA-N 478.577 6.283 30 20 JKED C=CCN(C(=O)C[C@H](C)c1ccccc1F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 524272059 KRHDYNBHWQEXLX-INIZCTEOSA-N 458.580 5.066 30 20 JKED CC(C)(C)Cc1cc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n(-c2ccccc2)n1 549164337 ACDSZCUGLCLQOC-UHFFFAOYSA-N 498.587 5.436 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)sc2c1CCCCC2 590613040 KPOKUNYYPGHKAO-UHFFFAOYSA-N 475.536 5.398 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2n[nH]c(/C=C\c3ccccc3)n2)n(C2CCCCC2)c1C 598952723 DMSUDUWFDJWTGF-YPKPFQOOSA-N 460.607 5.501 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 603772668 BLSHQJAYCSXJGC-UHFFFAOYSA-N 466.928 5.456 30 20 JKED Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 603806880 VMOUSOWPGGDIKW-MRXNPFEDSA-N 452.605 5.540 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)ccn2)cc1 603809562 CWTCTDZCVCLYTB-UHFFFAOYSA-N 467.485 5.263 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3nccnc3-c3nc4ccccc4s3)c2)cc1 603921350 SONWVGVDYBHPBW-UHFFFAOYSA-N 477.549 5.651 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604026997 SFPHUTWRHRQUSX-UHFFFAOYSA-N 489.984 7.153 30 20 JKED C[C@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 604044895 GYCBXWNNVUILIG-SJORKVTESA-N 478.955 5.210 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cn2)n1 604090621 ZPLYSQQDKNRANR-UHFFFAOYSA-N 472.936 5.523 30 20 JKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1OCC(=O)NC 604363590 SEIPJBIUQCRXLD-QHCPKHFHSA-N 472.545 5.057 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1cccc(COC(C)(C)C)c1 608798073 QXTIUXHKSRGFRE-UHFFFAOYSA-N 471.557 5.229 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3cccc4c3OCCO4)cc2Cl)c1 609079722 JMZZUBQFFHVCOV-QHCPKHFHSA-N 489.959 5.931 30 20 JKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1 609105477 ZNNDYHYJVFAYNP-UHFFFAOYSA-N 460.534 5.322 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1Cl 609164746 UWACKOFKQCNQQV-QHCPKHFHSA-N 465.380 6.336 30 20 JKED Cc1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1I 609426921 ZXWJJGCAPQXNMB-UHFFFAOYSA-N 454.267 5.516 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1Sc1ccccc1 609439348 BEHGWXMPYPFZCN-GOSISDBHSA-N 461.612 5.487 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc(C3CC3)nc21 613346105 CWOWWNFROBJYNW-QGZVFWFLSA-N 496.423 6.810 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccccc5)cs4)cc3)o2)cc1 613392151 LCPULKCYPDIEIA-JOCHJYFZSA-N 462.534 6.326 30 20 JKED O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 616409522 MPXNMXBIBHZVBF-YUMQZZPRSA-N 484.746 5.323 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 619365089 ZIZCIWDDPCLJRW-BETUJISGSA-N 480.380 6.221 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H]1CCCc2cc(OC(F)F)ccc21 622150826 BJOPUXQXUOKDGY-HSMVNMDESA-N 474.392 5.874 30 20 JKED CCN(C[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)CC(F)(F)F 622410756 PLNJMAHSSRYKGM-LLVKDONJSA-N 450.345 5.071 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 622504242 TUKKQCMRQOOJGW-CYBMUJFWSA-N 459.312 5.417 30 20 JKED C[C@H](NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1 622564881 USBMFLGQFYBAQV-ZETCQYMHSA-N 466.325 5.456 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1Br 642282119 MQHOKKCECKVJHA-LLVKDONJSA-N 485.281 5.585 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282156 PBXHZJFMALSJPE-ZDUSSCGKSA-N 463.868 5.585 30 20 JKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCO[C@@H](c2ccccc2Br)C1 725790208 OATZIGCMTAUPDX-LJQANCHMSA-N 460.278 5.048 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cc(C)sc2C)cn1 726111519 KMTJHBREFLNORZ-BTYIYWSLSA-N 499.637 5.442 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 726322565 XQRJLVCSHMLQRO-SFHVURJKSA-N 483.286 5.605 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\[C@@H](C)c1cccs1 726422901 YHBRPMLSUYZFTK-CXPQRDMHSA-N 480.055 5.216 30 20 JKED COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1NC(C)=O 726428037 CZZSIPRFTSNKPY-GXDHUFHOSA-N 455.489 5.542 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)cc2F)cc1 726571595 YTXHFXQEEQMNTD-UHFFFAOYSA-O 470.952 6.053 30 20 JKED COc1cc(-c2cc(C(=O)N[C@H](C#N)c3ccc(F)cc3)c3ccccc3n2)cc(OC)c1OC 727850158 SDMYUNWTOCBFMT-HSZRJFAPSA-N 471.488 5.061 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccccc1C(F)(F)F 728298122 AWIJWURWBQBAAO-HNNXBMFYSA-N 457.427 5.734 30 20 JKED N#C[C@H](C(=O)C[C@H](c1ccccc1)N1CCOC1=O)c1nc2cc(C(F)(F)F)ccc2s1 728411747 KTWIEURPHMQKAT-NVXWUHKLSA-N 459.449 5.075 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC(c3ccccc3)C2)C1=O 728426986 ZJJTYNKWTCIMAO-DNOPENIRSA-N 462.402 5.007 30 20 JKED C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1OC(F)F 729432033 SWJRQZFPYFASTJ-VIFPVBQESA-N 471.300 5.510 30 20 JKED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)cc1 729892403 XYRKKJHPHHJPAV-INIZCTEOSA-N 491.794 5.007 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 730689763 LCRAKIPJECIDRL-DZGCQCFKSA-N 479.048 5.490 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c1C 730712722 MYZRZKKZIJZIOU-FQEVSTJZSA-N 486.956 5.244 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730713177 MKOMCAKXXYZVTF-SFHVURJKSA-N 493.347 5.281 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cocn2)c(Cl)c1 730720208 HURCVPUWMJKNKI-IBGZPJMESA-N 486.956 5.244 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731304034 FWCVIUPIHQJTJM-HSZRJFAPSA-N 471.538 5.299 30 20 JKED C=C(C)COc1cc(/C=C2/SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)ccc1OC 747041254 OUHDGUTVUABJOZ-PCLIKHOPSA-N 494.682 5.516 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 749651989 YMLGVZHHFDTYRH-JYFHCDHNSA-N 489.616 5.389 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cc([N+](=O)[O-])cnc1C 750670805 YEHGFFXKLYVIHU-NRFANRHFSA-N 477.502 5.133 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1=O)NC1CC1 750915675 IDVDQRKCIOCVTJ-XPGWFJOJSA-N 491.510 5.001 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1nc(-c2ccccc2)cs1 809237346 UNVHVIAWMAIQMG-QFIPXVFZSA-N 493.617 6.026 30 20 JKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC2(CCOCC2)[C@@H]1c1cnn(CC(C)C)c1 849535053 QXGOSMVYVWMDPF-QFIPXVFZSA-N 477.527 5.117 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 864000403 VUSINIVFYRKMJL-MTDXEUNCSA-N 479.446 5.149 30 20 JKED O=C(NCC(F)(F)F)c1ccc(NCc2c(F)ccc(C(F)(F)F)c2Br)cc1 864036443 WQOMFGHMTCGXEY-UHFFFAOYSA-N 473.186 5.511 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)C=C1 912823177 OFPGCFSNKCKFOU-UHFFFAOYSA-O 481.041 6.019 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C)c1 914544940 AICWZQAMNNTKNM-DEOSSOPVSA-N 473.598 5.302 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(F)F)cc1 914545637 FUHWJRRJPSRANE-IFMALSPDSA-N 487.572 5.286 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915200114 VGONGKJKDKQXAA-RPWUZVMVSA-N 476.374 5.311 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)N1CCCC1 915352847 OAYQZKSHBQQYMC-CLJLJLNGSA-N 454.574 5.309 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 915644684 KMSWHJJVHPCVOK-RBBKRZOGSA-N 464.491 5.611 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccccn3)C2=O)cc1 916207810 LXROLAMVWLPTTF-DEOSSOPVSA-N 486.597 5.062 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)cc1 916213080 YFSHOECEVPPNJB-VWLOTQADSA-N 480.593 5.704 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC)cc3)N(Cc3ccco3)C2=O)cc1 916215380 UTMUOJJTUOGERA-HSZRJFAPSA-N 493.585 5.238 30 20 JKED Cc1cc(C)c(C(=O)CCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)c1 916846419 URDPQWZYLSSGDZ-GOSISDBHSA-N 461.587 5.430 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc2ccccc2n1 916849226 UAUBRWXQTCGVBN-OFVILXPXSA-N 453.929 5.626 30 20 JKED N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916886813 KNHMTCXRPWEARK-OAHLLOKOSA-N 473.328 5.815 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2c1C 916928231 WSGXUGIZIUKYAQ-LBPRGKRZSA-N 465.387 5.055 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1 916953271 MOWIHKHBOYLEGI-QGZVFWFLSA-N 455.333 5.147 30 20 JKED CCc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)cc1 917042409 FDTOBJPXMFBDTC-PBHICJAKSA-N 457.477 5.107 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 917504893 GZSJHEGLUSQDMY-PXTSUWAFSA-N 466.843 5.085 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2sccc2Br)cs1 917560545 QKEFITXEMOSRNL-QPJJXVBHSA-N 451.342 5.687 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c1 917677551 ULLDBEJZNQXDLO-TZRRMPRUSA-N 494.636 5.030 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccc(C)s2)cc1 917683873 FAZVIAKUSSRWGG-JOCHJYFZSA-N 495.626 5.234 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCc2ccccc2)C1=O 917703515 NSYLOFKGKLAICY-RUZDIDTESA-N 498.608 5.160 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c[nH]c2cc(Cl)ccc12 918709556 PVQRNGDMOJGYHM-UHFFFAOYSA-N 453.354 6.104 30 20 JKED CCN(Cc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1)C(=O)C(F)(F)F 919999521 CKAQIXKDXWBYKO-UHFFFAOYSA-N 481.474 5.300 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cc1csc(-c2cccc(Br)c2)n1 920102091 OZEITZPFVQDGMA-SFHVURJKSA-N 478.371 5.497 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 920106314 WNOMVEMESVJQMQ-KRWDZBQOSA-N 490.313 5.290 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 920111593 OAOGDQCHBWINMP-YWZLYKJASA-N 454.452 5.366 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 920354536 DNOCJIQVPTWHEY-DEOSSOPVSA-N 484.581 5.605 30 20 JKED FC(F)(F)c1ccc(-c2ccc(C=Nn3c(S)nnc3[C@H]3COc4ccccc4O3)o2)cc1 920365448 BMEOWXGULXPORN-LJQANCHMSA-N 472.448 5.240 30 20 JKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=Nn3c(C)cc(C)c(C#N)c3=O)ccc2c1 920828237 YDRFAFVPIKXVIE-UHFFFAOYSA-N 473.536 5.234 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)C1 1778914706 HPOCPCRSFDAANA-LFGPKHSOSA-N 496.051 5.093 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCC4CCN(C(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785809141 UKWBAGBFRWLKBZ-UHFFFAOYSA-N 495.664 5.514 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)CC)cc2)CCC1 1786259388 PMSSOFLPSXOFER-DSNGTPCMSA-N 469.626 5.026 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1786369218 VCCNNMXCFSDQJC-INIZCTEOSA-N 451.954 5.160 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786573413 FOWORAFUXNPWFD-UGKGYDQZSA-N 469.626 5.122 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(NC)cc4)CCC3)cc2)c(O)n1 1787173341 IHUVFOCMWNOKSZ-UHFFFAOYSA-N 470.573 5.009 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)cc2)CCC1 1787725775 DQECMMLBOXCIPR-INIZCTEOSA-N 492.403 5.307 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cc1F 1788649507 MOJSMLWOXWDDCQ-ZRDIBKRKSA-N 478.545 5.083 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)c5n[nH]c6ccc(C#N)cc56)CCC4)cc3)cc2c1 1788964265 VGJQIXHBEGBAQY-UHFFFAOYSA-N 488.551 5.286 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)ccn4)cc3)CCC2)ccc1F 1789827501 CALGSSKGVCVUJU-UHFFFAOYSA-N 496.464 5.102 30 20 JKED Cc1nc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789920198 GXUZBERCBPFEDI-KRWDZBQOSA-N 456.521 5.218 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)cc2)CCC1 1790055068 VOPXEIVGKSXKIY-UHFFFAOYSA-N 459.590 5.285 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ncsc5[nH]4)CCC3)cc2)c1Cl 1790083697 HFMBLIHLVCNAPO-UHFFFAOYSA-N 475.961 5.211 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4ccccc4)n3)CCC2)cc1 1790511883 ZPDSIXHLWIDMPK-UHFFFAOYSA-N 483.568 5.006 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790974438 FPNXLNXVSTUIEB-UHFFFAOYSA-N 477.992 5.619 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H](C)CN(CC)CC)cc2)CCC1)c1ccc(O)cc1 1791071294 VRRLKLICZMWSEB-UPVQGACJSA-N 489.660 5.001 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)c(C#N)c1 1791323519 ISCOIQDYDZIAKE-RZUBCFFCSA-N 471.601 5.070 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(F)c(Br)c1)C2 1792573525 XBHULNPGYOTGRF-REPLKXPHSA-N 479.434 5.151 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)nc1C(F)(F)F)C2)c1ccccc1 1795567458 COMDXXIWHOCGEQ-JTLUYSSBSA-N 498.549 5.054 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c2ccccc12 1797985036 YZPZLNQLJVQYAP-ACDBMABISA-N 481.434 5.623 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(OCc4ccccc4)cn3)CC1)C2 1798332103 IKLHTFJQJFDAJW-SPGPFUFCSA-N 499.655 5.099 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3occ(Cl)c3c2)c1Cl 1799326689 LSTGZFQPZYBDEA-BJWYYQGGSA-N 468.340 5.177 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1c1cccnc1 1802502618 KQISOKOTSLSDPU-ZYKLVTIJSA-N 471.645 5.202 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1803081731 FUUPEAKERQZKAV-WNJJXGMVSA-N 494.639 5.540 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1 1805099638 XIVISLYYYLXSDO-UHFFFAOYSA-N 470.400 5.332 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1806414021 LUMNSVXPINEZRW-GKRYNVPLSA-N 467.613 5.252 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1807965763 PMSQHAUSXKHPSY-DENIHFKCSA-N 480.659 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1810171292 DQNNXKMFLDRFSQ-UMEGOILYSA-N 494.060 6.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1810179018 VXLGYNCUHNSCSG-KKLQWCBXSA-N 489.513 5.328 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCNc2ccc(C)cc2C)[C@H]1c1cccnc1 1810368722 IBSNPAAFORTMNG-SHQCIBLASA-N 476.665 5.199 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1812074258 IKUXEWKUAFQEPJ-XLGIIRLISA-N 489.019 5.371 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814371778 DLHRIIFRBPYYNW-AVRDEDQJSA-N 465.985 5.619 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)cc1 1814379393 UXOBOILAOREIAT-JOCHJYFZSA-N 495.505 5.239 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)[nH]n2)C1 1814394011 VVFJWSONNWJPRG-JOCHJYFZSA-N 490.604 5.635 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n2)C1 1814396200 BZHMUYCVQZMMBM-NRFANRHFSA-N 472.630 5.050 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cc(Cl)ccn23)[nH]n1 1814442758 YNTCHTFRYHZZFL-SFHVURJKSA-N 468.989 5.009 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)[nH]n1 1814823661 BKHDUVJFTDJXOL-NRFANRHFSA-N 474.964 5.042 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2cccc3ccccc23)n[nH]1 1815648863 FMQVMTZVVRPTIR-QPPBQGQZSA-N 472.589 5.402 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4nc(C)ccc4o3)sc2C1)c1ccccc1 1815868007 YSQDYZPUZUCJPI-UXHICEINSA-N 498.608 5.016 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)n[nH]2)C1 1816223166 JUCSYGYAGYJLAQ-NRFANRHFSA-N 498.509 5.091 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818775029 IOKVBIANMVUXJJ-RDTXWAMCSA-N 488.013 5.385 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971736 NGWINFQKPRWLSY-FQEVSTJZSA-N 487.938 5.437 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)[nH]n1 1819555978 NCGNIKARZKEQGE-UGKGYDQZSA-N 452.599 5.252 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820149281 OJSAFZXNIGQFIF-HYBUGGRVSA-N 481.600 5.848 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)[nH]n1 1821927286 AWCRVPKHXHVZMO-CIWSBSAOSA-N 477.428 5.151 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@H](C)c3ccccc3)n[nH]2)c1 1822046017 USINLVHDUVOAOA-CYFREDJKSA-N 455.562 5.090 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[nH]n1 1822385172 WDKWZXBNEFPZRN-LHSJRXKWSA-N 498.052 5.114 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)nc2C)n[nH]1)c1ccccc1 1822652234 NCANWYQCFSLZQK-AHKZPQOWSA-N 497.643 5.244 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccnn4C)c(Cl)s3)CC2)C1 1823699789 BDPFHIQGKKTDKI-HXUWFJFHSA-N 487.069 5.002 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 1824050676 GVOBUXCAWMTSDH-VWLOTQADSA-N 481.999 5.217 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1Cl 1824056000 LYIPBMZYHAEHOY-RUZDIDTESA-N 494.035 5.086 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824273786 LPEOYJSDVZAUOQ-XMMPIXPASA-N 481.040 5.023 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824389513 OFDPIRMWHXGOOK-NTKDMRAZSA-N 496.076 5.626 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1824497989 LTYROBGEYAJGNP-GBXCKJPGSA-N 461.046 5.046 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1824509571 CNYBBDJHYGLCQZ-SIKLNZKXSA-N 454.636 5.034 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)s3)CC2)cc(C(F)(F)F)c1 1825350534 AONWWBMHRHTOKD-LJQANCHMSA-N 493.526 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)CC1 1827342178 GQUZMHAIBJCMHM-HSZRJFAPSA-N 464.654 5.282 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)[nH]c12 1828549450 MGCZAGIUUWTTKU-XMMPIXPASA-N 489.019 5.549 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(OCC(C)C)c2)CC1 1828825475 WXSSNWNEOJPXST-RPBOFIJWSA-N 467.654 5.118 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1828826489 FCJCTDUHTGBRPL-VWNXMTODSA-N 487.648 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1828829554 DKOBSMAQKAECSX-GJZUVCINSA-N 480.052 5.890 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(Cl)c2)CC1 1828904116 PHMSMFARHBQWAD-JOCHJYFZSA-N 474.121 5.019 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4sccc4c3O)CC2)c1 1830716781 KGMVLMHVBMKUHX-QHCPKHFHSA-N 491.588 5.165 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831376170 LIBCQJAVWGWXJL-ABQRKTDGSA-N 487.482 5.385 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1831695607 DKIOEYYZXIUJIR-CHZKFRDHSA-N 467.629 5.076 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831968962 FMJRJCAJZGHXHH-BXCZTDHWSA-N 473.455 5.294 30 20 JKED COc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832595732 YPUFEJFKHRQCBM-NIYFSFCBSA-N 477.580 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc4ccoc4c3)CC2)c1 1832631141 RSDDOCQZDXMKJE-KBMIEXCESA-N 470.573 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc4c(O)cccc34)CC2)c1 1832633166 FMBWJMRHZBZMFJ-FQRUVTKNSA-N 496.611 5.115 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1 1832634420 RCVLQDKYSGQQTQ-PIKZIKFNSA-N 469.629 5.738 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)CC1)c1ccccc1 1836307619 LNZOUEFJDVKYGK-SSEXGKCCSA-N 499.699 5.192 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(C)cc4)CCCCC3)CC2)CC1 1838750306 AWIFZCRRADKXBL-XMMPIXPASA-N 480.693 5.408 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC2(CCCN2C(=O)c2ccc(F)cc2C(F)(F)F)C1 1846882097 VFWSVRKVDWSHDF-UHFFFAOYSA-N 492.366 5.133 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c(Cl)c1 11089544 QMEVFVWEZSJQNK-UHFFFAOYSA-O 488.023 6.871 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11247624 UPGFNGXIWXAFSH-UHFFFAOYSA-O 487.595 6.511 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)cc2F)cc1 11249007 VZYBXBZUSVKCNB-UHFFFAOYSA-O 475.531 6.485 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2ccccc2)nc2scc(-c3ccccc3)c2c1=O 11296887 UWEJYJWQQUHTKK-QGZVFWFLSA-N 461.612 5.108 30 20 JKED N#Cc1ccc(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)cc1 11511289 MHORMPKQIPVTMF-UHFFFAOYSA-N 451.349 5.513 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)nc2scc(-c3ccc(C)cc3)c2c1=O 14757802 XCHOPBJWXKDBMR-KRWDZBQOSA-N 493.658 5.089 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2ccccc2)c(Cl)c1 15248273 ZPUKQPYLUWKDNH-UHFFFAOYSA-O 472.033 6.962 30 20 JKED CC(C)Cn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1F 21583251 RSCLKAWFLDFXSK-QGZVFWFLSA-N 469.561 5.307 30 20 JKED CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccc(Cl)c1 22181955 PLVQFSMIKMXVFV-LBPRGKRZSA-N 458.012 5.160 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22735904 BPTITNVITOZWTH-UHFFFAOYSA-O 493.696 6.459 30 20 JKED CCOc1cc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c(OCC)cc1NC(=O)c1ccccc1 24162045 WWKBJJMPMUNAFG-SFHVURJKSA-N 472.545 5.047 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 24714253 ROOWKXKWMVOKAS-AATRIKPKSA-N 488.409 5.535 30 20 JKED C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 26979379 CUIIEUROKGFPCN-OAHLLOKOSA-N 491.667 5.461 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 27080003 SBXOBYHQVKJMDS-CQSZACIVSA-N 458.927 5.089 30 20 JKED Cc1cc(S[C@@H](C)C(=O)OCc2cc(-c3ccco3)on2)n2c(nc3ccccc32)c1C#N 27315299 WCCKGEOFHLFVHA-HNNXBMFYSA-N 458.499 5.140 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2cccc(C)c2)c1C 28793468 RYHINLYRBHQOFM-UHFFFAOYSA-O 464.611 5.072 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C 59251709 APGNUJRZUKZWNH-XMMPIXPASA-N 456.546 5.146 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCCc2cccs2)nc2scc(-c3cccs3)c2c1=O 69873393 XMSIGNKTZFYNLG-CQSZACIVSA-N 487.697 5.274 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)CC1 108333030 MPLHRQLNQWCDEH-UHFFFAOYSA-N 478.455 5.127 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc(-c3ccccc3)nc21 113145025 UGVXEETXXSPNMR-QGZVFWFLSA-N 478.339 5.386 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2nnn(-c3cccc(Cl)c3)c2C)cs1 303056165 WDQDBEVEGXEEOP-DHZHZOJOSA-N 481.940 5.405 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 303365047 QWXFBZRBOTZILO-CQSZACIVSA-N 484.375 5.941 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccccc1C(=O)Nc1cccc(Cl)c1 484969699 MQASFYQPLQEQAQ-UHFFFAOYSA-N 450.951 5.259 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cc1 499775454 APBDVTAXZGLRGA-PKTZIBPZSA-N 461.359 5.836 30 20 JKED Cc1cccc(C)c1Oc1ccccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502650529 WJUACRIKUHLWKA-UHFFFAOYSA-N 468.557 5.850 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1Cl 503151771 LLGUWJMFWHWQNQ-KRWDZBQOSA-N 498.320 6.419 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 505691969 NCDNDTOOJUSRFZ-KBMIEXCESA-N 483.568 5.297 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1 505887199 UIPQKYMFEDRSPR-UHFFFAOYSA-N 488.560 6.203 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 508287666 KTLSAHURNWCCFA-UHFFFAOYSA-N 458.518 5.078 30 20 JKED Cc1ccc(I)c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c1 508977377 KDXQNSYRHAKLQZ-UHFFFAOYSA-N 470.335 5.551 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)cc2Cl)cc1 509194328 JJLFOXNAMZFHTP-QFIPXVFZSA-N 460.946 6.372 30 20 JKED CCN(C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)[C@@H](C)c1ccc(C#N)cc1 509563743 IXHYPXQESBZDHY-IBGZPJMESA-N 470.598 5.305 30 20 JKED CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1OCC(=O)N(C)C 510651946 UMHUWTYIGOIXGY-QHCPKHFHSA-N 472.545 5.090 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 510748859 GUBGVPRKWQONBL-GOSISDBHSA-N 461.541 5.017 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCc1ccccc1)Cc1cccnc1 510861611 ZOCUOYTUPDRDQD-UHFFFAOYSA-N 462.553 6.331 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OC 513167491 WJGCBMZDQAQQES-ZDUSSCGKSA-N 457.246 5.150 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 513721935 CVELBPJCGOZIBX-UHFFFAOYSA-N 470.529 5.242 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2ccccc2c1COc1ccccc1 515043341 CNGJHEIFRCPDNW-UHFFFAOYSA-N 475.504 6.632 30 20 JKED CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515919322 LVCWDRGYJDQJKQ-AOYPEHQESA-N 489.019 5.133 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cc2)cc1 520009038 DXYBOULSPMXOHK-DEOSSOPVSA-N 471.513 5.395 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 520431292 DQFNNHDXXSRSKU-QGZVFWFLSA-N 459.477 5.831 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 521809753 IDYOAMNVPPICEX-OAHLLOKOSA-N 477.417 5.378 30 20 JKED C=CCc1cc(C(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)cc(OC)c1OC 522360259 RMWANXUTPZYCRD-QFIPXVFZSA-N 453.579 5.077 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 553063472 XQYILOLNMJKHGD-HHHXNRCGSA-N 487.625 5.102 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)c3cnn(C(C)C)c3n2)cc1 590938554 JPKJXQCYIZBAFP-MHZLTWQESA-N 496.590 5.149 30 20 JKED COc1cccc(/C=C(/CC(=O)Nc2nc(C)c(SCC#N)s2)c2nc3ccccc3s2)c1 603775772 PQXLHFVRUHJXKZ-ATVHPVEESA-N 492.651 6.255 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(=Cc4cccc(F)c4)CC3)s2)cc1 603829923 KRMNUKMIGLVKMQ-UHFFFAOYSA-N 465.579 5.552 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COc2ccc(Br)cc2Br)c1C 603897317 IMDAMVIAYUDTDY-UHFFFAOYSA-N 466.173 5.154 30 20 JKED N#Cc1c(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)sc2c1CCCC2 603945850 ADBFSISEZQSQIX-BKMJKUGQSA-N 469.610 5.617 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 604003430 AUODKYCJYKLKHT-UHFFFAOYSA-N 494.517 5.601 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1C 604164341 LYTSSFNZUOGITP-UHFFFAOYSA-N 497.986 5.278 30 20 JKED CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)cc1 604218108 JIJCGUWADUOTTO-HSZRJFAPSA-N 476.964 5.631 30 20 JKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)[nH]c2c1 604510325 DUMPRYRDVTUIJM-VWLOTQADSA-N 451.530 6.213 30 20 JKED CSCC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1nnc2ccccn12 609078512 VTXVXKITMAZTPL-HSZRJFAPSA-N 486.601 5.104 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 609078942 FAYQAYKKCVUXMV-PXDATVDWSA-N 454.574 5.403 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H]1CCc2ccccc21 609088508 BLXXPIIHJNGKDE-HHHXNRCGSA-N 467.569 5.310 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 609399181 DSPNDCWHWJLDRB-HNNXBMFYSA-N 477.417 5.235 30 20 JKED N#C[C@H](C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 613320002 PZANLRJIRDSZQI-GOSISDBHSA-N 453.354 5.852 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc2ccccc2n1C(F)F 613401549 DGDZWRFZGKJMCJ-LBPRGKRZSA-N 450.495 6.260 30 20 JKED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1nc2cc(Cl)ccc2s1 613407388 RRGRKXOFCDLZTK-SFHVURJKSA-N 474.007 5.004 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)nnc1-c1cccc(C)c1 617943853 MNZXUKRUCRIMSX-KRWDZBQOSA-N 463.632 5.188 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 726074845 VUOGSSRJWIRDPQ-QHCPKHFHSA-N 470.960 6.548 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2[C@H](C)c2cccnc2)cn1 726118396 MNWGOPUKQRKMJG-KOSHJBKYSA-N 498.612 5.173 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C#N)c(Cl)c1 726407809 AVZRFJAPAOLSCP-HXUWFJFHSA-N 472.973 5.501 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1C[C@H]1CCCO1)c1cccs1 726416934 VHCNRXAJZQQXGX-LKNMRECASA-N 496.029 5.109 30 20 JKED N#CCOc1ccc(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cc1 727679052 ZBXVGFZSHFIXKC-UHFFFAOYSA-N 476.539 5.188 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\CCOc3ccccc3C2=O)cc1OC 728441465 KMEOYWYJBTYOST-QGOAFFKASA-N 493.943 5.424 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 728780421 SSSLFILOWGLYAO-XMMPIXPASA-N 470.598 5.172 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 729063155 BRGJLLKIOZHOEA-KBMIEXCESA-N 457.599 5.658 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)c2)cc1 729375451 GCPGYXRAODCCPO-SDNWHVSQSA-N 451.526 5.241 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ncccc3C)C2=O)cc1 729633345 DBFCKGIANZZZLV-XMMPIXPASA-N 486.597 5.062 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)cc1 729634965 XZJHWODBSCFENR-HSZRJFAPSA-N 494.567 5.391 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1C 730460041 SPACUXWGWVPSNU-FQEVSTJZSA-N 475.536 5.835 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccco3)C2=O)c1 730537824 TYWVSGOUONKPRK-JOCHJYFZSA-N 465.550 5.504 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3c(F)cccc3F)cs1)O[C@H](C)C2 730695747 XKIUJOMAYBRKDX-HUHSQHJXSA-N 480.536 5.790 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](C)c2cccnc2)C1=O 730943888 MKMWPZDTTAHIKU-JTSKRJEESA-N 479.005 5.765 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730943897 MTWWXWFKTUJHQA-CVDCTZTESA-N 458.587 5.420 30 20 JKED COc1cc(/C=C\C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1c(C)noc1C 730996112 VUBJAKQGWQERKG-XSLBHYSZSA-N 477.586 5.783 30 20 JKED O=C(NCCc1ccc(Br)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 731049269 SNIWDYMDQJDRSV-GHMZBOCLSA-N 479.234 5.339 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731305762 OZTSLRPXKJZQDC-LJQANCHMSA-N 471.991 5.268 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCC2=CCCCC2)cc1 731306196 SZUWOGHPFNYTGF-QHCPKHFHSA-N 479.602 5.252 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1=S 747791101 CJZBWKYDBXDLAN-NRFANRHFSA-N 468.598 5.053 30 20 JKED C=CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OC 792634845 QRAICMYJWCOBDG-LLVKDONJSA-N 458.725 5.404 30 20 JKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc(Cl)cc2)cc1 798149140 YFVAALWXCLWZPH-UHFFFAOYSA-O 497.084 6.849 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CC(F)(F)F)c1 799217219 LINJTSRJSYKSCR-SFHVURJKSA-N 494.495 5.043 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3ccccc3Cc3ccccc3)nc(O)c2C#N)cc1 824935617 JMVUJPVZHNAAFF-UHFFFAOYSA-N 482.565 5.051 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 837775334 WPRWVYHHGLQABJ-LHSJRXKWSA-N 484.503 5.220 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)CCc2ccco2)cc1 838034593 XYHFTCCULIJZSQ-JPYJTQIMSA-N 477.586 5.270 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 838073389 BXDCLKLZBFWVCI-NYHFZMIOSA-N 496.539 5.090 30 20 JKED COc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)ccc1OCc1ccncc1 912787061 YWSYAXZYGBFKIT-UHFFFAOYSA-N 482.565 5.298 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCc2ccccc2)C2CC2)c1 914490451 QIYHGNANADQFPF-UHFFFAOYSA-N 495.044 5.569 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694428 JRSWPUFCRIVRKK-NTKDMRAZSA-N 491.613 5.497 30 20 JKED Cc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)o1 914964257 PXORVPHWDAUGCX-AWEZNQCLSA-N 469.588 5.027 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C4SCCCS4)cc3)n2)cc1 915101453 HHEJJIYTKYSUFD-HXUWFJFHSA-N 466.653 6.243 30 20 JKED N#C[C@@H](C(=O)CCc1nc(O)c2ccccc2n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103135 PBTUIXSPNPZIOI-HNNXBMFYSA-N 469.353 5.575 30 20 JKED CCOc1ccccc1C(=O)NCCCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104129 LTRRKZTWMLUAGN-INIZCTEOSA-N 475.492 5.100 30 20 JKED COc1cc(OC)c2cc(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)[nH]c2c1OC 915473511 KXPSZNCRIHOHMH-UHFFFAOYSA-N 470.525 5.250 30 20 JKED COc1cc(/C=C\C(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916134258 BJHKUDNTZPFDIX-QBFSEMIESA-N 455.432 5.628 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccco3)C2=O)c1 916206994 BOPXSHAWNLIAHI-QFIPXVFZSA-N 463.559 5.066 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)cc1 916213090 YKRFBVZPGZCFDX-DEOSSOPVSA-N 472.614 5.210 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(C[C@@H]3CCCO3)C2=O)c1 916217148 GLIIPNNQZKPFAG-OFVILXPXSA-N 487.625 5.596 30 20 JKED CCOc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)ccc1OC 916272613 FAGAWJLOMVBREB-UHFFFAOYSA-N 453.951 5.376 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1cn(Cc2ccccc2)nc1-c1cccs1)CCCC3 916288580 MNFUNOYJIPJNQM-UHFFFAOYSA-N 471.611 5.192 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2s1 916847624 NDFNLCQVJDUKFW-INIZCTEOSA-N 455.370 5.825 30 20 JKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 916907039 GQKBAXSUCVBSOO-RUZDIDTESA-N 476.532 5.932 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(COc2ccc(F)cc2)n1 916931501 MDFHCMNXNUBCBX-CQSZACIVSA-N 464.305 5.129 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 916932088 ZQLHFQZETFIWHR-OAQYLSRUSA-N 473.479 5.402 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 917515164 KBVKBXGNQRSCKP-HXUWFJFHSA-N 494.439 6.471 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2cccc(Cl)c2C)n1 917666474 UMEDZJMIPIKVIM-QHCPKHFHSA-N 493.032 5.190 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccsc3)C2=O)c1 917668313 VZZVZAASRSKAGT-NRFANRHFSA-N 465.600 5.226 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c1C 917669691 DCCJEDBTEGPOMZ-WPFOTENUSA-N 494.636 5.030 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1F 917677759 KIADPFBMJADDTA-LJQANCHMSA-N 475.517 5.326 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc2cc(Cl)ccc2s1 918491565 CWVIMUKYGXEJDV-ZDUSSCGKSA-N 464.399 5.393 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c12 919194732 WDVARPJAYBUFNY-AWEZNQCLSA-N 479.968 5.081 30 20 JKED Cc1oc(NC(=O)COC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)c(C#N)c1C 919400594 XFZTVJQQHVAPMF-UHFFFAOYSA-N 465.531 5.001 30 20 JKED Cc1sc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C(N)=O)c1-c1ccccc1 919997103 BYODZHZKPZSRBQ-UHFFFAOYSA-N 467.550 5.525 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)nc1C 920031459 CANVWBKNNRIFRC-UHFFFAOYSA-N 481.053 5.275 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cc(C)on3)C2=O)cc1 920353420 JEZPQVHZHWMIJS-HSZRJFAPSA-N 492.601 5.159 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2c(C)noc2C)c1 920353904 WGPVKVFKDGCDDS-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N\C[C@@H](c1cccs1)N1CCCC1 920944491 YEJGDDHZOGTKHT-ANQVYJHKSA-N 458.219 5.235 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 921219789 ULWPTFREEGYPTA-OAHLLOKOSA-N 488.396 5.918 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4cc[nH]c34)CCC2)cc1 1786370434 AANVNYMODYEMLW-MRXNPFEDSA-N 496.405 5.269 30 20 JKED CCc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1787094598 YYCHFVHCOIBRQS-UHFFFAOYSA-N 458.949 5.231 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc(OC(F)(F)F)c3)CCC2)cc1 1787648481 DPZXYGIFUBAXHI-UHFFFAOYSA-N 496.283 5.009 30 20 JKED COc1cc(CCC(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)ccc1OCc1ccccc1 1787649699 RQIWJKRQQFKHKX-UHFFFAOYSA-N 497.595 5.255 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CNc4ccccc4C)cc3)CCC2)c1 1788110326 RRSVZBPUANMGLQ-UHFFFAOYSA-N 452.558 5.035 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)cc2)CCC1 1788986143 LDYFDCFZUIMTDE-UHFFFAOYSA-N 459.443 5.405 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)CCC1 1789027436 FRJWEIDDIUDMIM-UHFFFAOYSA-N 478.390 5.482 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789073649 DQYJWLJHTPPBJQ-KSWAXPHNSA-N 494.979 5.098 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789147702 GJCPKADPOAVTKB-FIPFOOKPSA-N 495.664 5.536 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3=CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789452885 CWQIPOXZRXAGRK-XMMPIXPASA-N 493.648 5.456 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CCC1 1789740062 QZSIRMKPGSNPCA-KRWDZBQOSA-N 452.407 5.091 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccnc5)[nH]n4)cc3)CCC2)c1 1789803912 YKXMGIGULCTCHH-LJQANCHMSA-N 490.567 5.160 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)cc1 1790521760 ZFKYOMYGQZCIKO-FTJBHMTQSA-N 497.570 5.186 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCC2)cc1 1790568371 SRNLRJOMCUHGKL-SFHVURJKSA-N 493.991 6.149 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCC(F)(F)F)c(F)c4)cc3)CCC2)C1 1790587046 MCPCSHOUAAAZBQ-UHFFFAOYSA-N 476.470 5.481 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CC4CCC4)CCC3)cc2)cc(C(F)(F)F)c1 1790787336 FYJUSEVWKLTVPH-UHFFFAOYSA-N 455.480 5.515 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5ccc6ccoc6c5)CCC4)cc3)c2c1 1790836581 NTNDOEPJNJFCIA-UHFFFAOYSA-N 475.508 5.242 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccn5nccc45)cc3)CCC2)cc1C#N 1790899246 CKNYASPVJDKKQB-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)cc2)CCC1 1791137612 XOYGCDMRTMCHDH-APWZRJJASA-N 486.538 5.046 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccccc4[N+](=O)[O-])cc3)CCC2)c1 1791522899 DUAXGFWEIGGNQC-UHFFFAOYSA-N 486.553 5.006 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Br)cc4c3)CCC2)cc1 1791578709 KYXIDKXADRTHRV-CQSZACIVSA-N 484.419 5.063 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CCC2)cc1 1791593020 AODUSDIOFXGNJI-GHTZIAJQSA-N 457.615 5.026 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ccn4)CCC3)cc2)cc1C#N 1792168447 BJBMBHZQCCPTCW-UHFFFAOYSA-N 488.975 5.455 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](S)C(C)C)CCC3)cc2)cc1C#N 1792169276 CMGGJAIMLMPZAU-QHCPKHFHSA-N 465.619 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCN(C)C(=O)OC(C)(C)C)cc2)CCC1 1792334576 BBEYMJRGYAEQON-QHCPKHFHSA-N 483.653 5.536 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC(F)(F)F)c1ccc(C#Cc2ccccc2)cc1 1793982764 OOKYVALFQPPUGY-BKFWDETESA-N 468.519 5.071 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2scnc2c1)c1ccc(C#Cc2ccccc2)cc1 1798155859 LXNXYQKKPUMPCZ-OOSCYNTBSA-N 491.616 5.262 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800811087 MVQKTUNOLRRTPP-RSOWOKRSSA-N 488.653 5.838 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1803091915 SPTGGFMWCGXFEN-RCZVLFRGSA-N 480.678 5.359 30 20 JKED N#CCCC(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803223985 YUXUZFTVIAAHGP-KXVKLCPVSA-N 479.024 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)COc2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1803430400 ZFVTZSRIPUKMND-AHWVRZQESA-N 477.649 5.084 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)C1 1805455295 WJWUACUBKQGPOZ-UHFFFAOYSA-N 454.014 5.435 30 20 JKED Cc1occc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1805621185 NEVSXFLDLQWSQN-PXJZQJOASA-N 489.575 5.016 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)CC1 1808875376 COTHWMQZHUFWIE-YWEHKCAJSA-N 492.063 5.399 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810173969 KJURAOPEUAHOID-JQYIIUTOSA-N 496.051 5.610 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810273337 USXLYLUNXROYBP-RDGATRHJSA-N 482.100 5.106 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C2(C(C)C)CCC2)[C@H]1c1cccnc1)c1ccccc1 1810447858 PWDPQOCIGQWSBL-PVHODMMVSA-N 471.645 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1810492284 MFIZJZNBSAAZRR-NAKRPHOHSA-N 484.644 5.261 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1810501195 HTGBHAKVZHLQFT-HTAPYJJXSA-N 492.422 5.840 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1 1810511319 URIOEIJBPORRQQ-UHFFFAOYSA-N 470.711 5.390 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811136559 HRIJVFSLNJNEMK-GAJHUEQPSA-N 497.357 5.033 30 20 JKED N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCC3CCCC3)[C@H]2c2cccnc2)cc(C(F)(F)F)c1 1811867830 BXTLDQZHQCUBCL-BWKNWUBXSA-N 498.549 5.262 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3c(Cl)cccc3Cl)[C@H]2c2cccnc2)c1 1811940113 UGFSWQOBHZULQG-DVECYGJZSA-N 493.394 5.202 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1813048736 RXVHRXWKMSGLLC-MBSDFSHPSA-N 466.006 5.073 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1814066873 FMLPFWLZNYPLLR-OKKOYFSCSA-N 477.571 5.225 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1814182083 GUWUHOSNRXASQI-AVUDXFIYSA-N 479.624 5.088 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(Br)ccc4s3)[nH]n2)C1 1814394980 FDLSDBNCPQYWJY-SFHVURJKSA-N 499.434 5.659 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1814743822 SXGMNEKOPUBTND-NRFANRHFSA-N 489.988 5.030 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCC(C(F)(F)F)CC3)n[nH]2)c1 1815525183 NUWWJZRMGHYKKQ-PMTKGXAQSA-N 491.489 5.095 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(CC(C)C)oc3ccc(OC)cc23)n[nH]1 1817711470 MLWVVXOZQMYXKX-HXUWFJFHSA-N 464.566 5.245 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3c(Cl)cccn23)n[nH]1 1817781810 MGNVSRLLSCXRGO-GOSISDBHSA-N 468.989 5.009 30 20 JKED CN(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)c2ccccc12 1818608621 LGBHVWSMYGAJSH-SANMLTNESA-N 492.583 5.120 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1819307031 MLOYAHDQRGKQIX-PGRDOPGGSA-N 499.537 5.984 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)[nH]n1 1819307751 YNWYQWSNPWCGCC-ZJSXRUAMSA-N 463.626 5.289 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820100608 IZUIKCZRUDKSFJ-OXJNMPFZSA-N 461.591 5.395 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820101982 MPXLQZCGXSXXDI-OAQYLSRUSA-N 491.617 5.166 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820221315 SXSMKUBNEJUITB-HXUWFJFHSA-N 465.916 5.002 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821087489 DTGOAVFJHVPFHN-LJQANCHMSA-N 498.933 5.371 30 20 JKED Cc1csc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)c1 1821241637 XXGPCRBHLATBIZ-GOSISDBHSA-N 498.406 5.034 30 20 JKED CCC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CCC1 1821309815 BXLZWCJVBQBZBP-LJQANCHMSA-N 473.499 5.186 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(-c4nccs4)noc3c2)[nH]n1 1821920492 IJGDNTDQLPFNCS-KXBFYZLASA-N 490.589 5.193 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1821927673 FPIHFICOFGMMNT-UGSOOPFHSA-N 452.452 5.086 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ncccc3C(F)(F)F)[nH]n2)c1 1823217493 LDNIHCQRQFHMRT-YWZLYKJASA-N 496.493 5.070 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1823685335 UPYUXCJROOMERA-VWLOTQADSA-N 497.561 5.443 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824352592 JEVQCPBQJDXQQM-BJKOFHAPSA-N 489.701 5.046 30 20 JKED O=C(c1ccc(OCCCC(F)(F)F)cc1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824414002 VFYZANKXZOEXSW-DEOSSOPVSA-N 490.566 5.055 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1824500074 FQPXCEFCRHENGM-HSZRJFAPSA-N 468.663 5.426 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)c1Cl 1826529453 ABCMHXPJDRSHJL-BYUVYSIJSA-N 461.993 5.158 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1827545310 HZYDUWFZNCDSLB-NHTMILBNSA-N 491.717 5.148 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Cl)CC1)c1cccs1 1827684008 ULDFZFSRBSLHQV-ZJVMWOEPSA-N 471.022 5.074 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1)C(F)(F)F 1827714908 PHWVMAHMCFDUDF-FQEVSTJZSA-N 475.511 5.002 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)Sc3cccs3)CC2)c1 1828777482 HYCZNYVWHGGECH-JPYJTQIMSA-N 497.686 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c(C)cc2OC)CC1 1828826977 GFJNJFYEATXEOS-UKILVPOCSA-N 452.639 5.314 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)c1Cl 1829685657 MJWPADGFSYLJSL-NRFANRHFSA-N 477.983 5.270 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1)C(F)(F)F 1829765736 NVRSSZOGICWTLV-OAQYLSRUSA-N 494.945 5.082 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1829957561 YANRUQQVULPMMP-NRFANRHFSA-N 471.935 5.037 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c1Cl 1830028019 UBTVOUPKBJRSSX-JOCHJYFZSA-N 470.400 5.412 30 20 JKED CCCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830105427 INYATWMRMDHBQT-MHZLTWQESA-N 457.618 5.252 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830531881 LHIUJTPSTBRRGY-LJQANCHMSA-N 496.467 5.810 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)c(Cl)c1 1830721365 DCMOKIKEAYAOLG-IBGZPJMESA-N 460.361 5.005 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccccc3o2)CC1 1830852433 XKZHXHLRXIQBOX-HSZRJFAPSA-N 479.697 5.112 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830987994 QZRLMUBQTBNFTQ-JOCHJYFZSA-N 469.423 5.412 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1831371318 UFGFLZFQGFAPCI-WMZHIEFXSA-N 451.636 5.256 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc(F)c1F 1832620428 CGEWQHNBCBEAPG-CJAUYULYSA-N 479.571 5.447 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(Cl)c1 1832635882 XOFLIDMROATMIN-NIYFSFCBSA-N 494.035 5.523 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1835683079 LWRLCYZVPUFUFK-OAQYLSRUSA-N 492.491 5.255 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(CCCCC)cc3)CC2)CC1 1838756392 LHFMDLUOPZATBC-UHFFFAOYSA-N 490.635 5.172 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)C1 1844648346 ZAFKMKUAAJTOQW-UHFFFAOYSA-N 456.590 5.039 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)c1 1845523044 UAXXLYLJKDIVAU-UHFFFAOYSA-N 480.593 5.207 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)C2)c1Cl 1846278967 YNBFSUUJSDOVSC-UHFFFAOYSA-N 488.802 5.067 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 1847263914 FKWFDYRRQNCONO-VXKWHMMOSA-N 467.997 5.335 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(O)c2)c(C)s1 10174204 ZYKCPSVOXPGPQA-UHFFFAOYSA-O 467.514 5.308 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 10760891 ZMAUKCGNCXLWDG-UHFFFAOYSA-O 482.044 6.820 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11263081 CLHHPBCWFZGLKX-UHFFFAOYSA-O 453.578 6.379 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)(C)C)cc2)cc1F 14872364 SKHRHTDSHNOZCI-UHFFFAOYSA-O 466.558 5.678 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1F 14872458 ISMVCIIYGZDVIB-UHFFFAOYSA-O 488.435 6.658 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)cs1)c1ccc(F)cc1F 15189367 SDUJQHPRIPQACB-UKTHLTGXSA-N 481.568 6.382 30 20 JKED O=C(C[C@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1cccc2ccccc12 15231822 XXTSJGLTFBHMBZ-RUZDIDTESA-N 481.577 5.667 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccoc1C 16562016 JQOGHQGPBHVQFP-QFIPXVFZSA-N 460.559 5.513 30 20 JKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17531149 OURSZKJPJZGZKD-HNNXBMFYSA-N 472.482 5.586 30 20 JKED N#Cc1cc(C#N)c(S[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)nc1N 21424828 YDCGOGIQUYQTSF-GOSISDBHSA-N 487.894 5.551 30 20 JKED COc1cccc(NCc2nnc(SCC(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)c1 22718963 XWSMXKJQCRIUKZ-UHFFFAOYSA-N 476.606 5.006 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccc(Br)cc1 23640154 BEBLPZCGBSOQDG-HNNXBMFYSA-N 457.397 5.321 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nc2ccccc2c1=O 24965906 RSPAIYHWZOJHMV-UHFFFAOYSA-N 476.627 5.633 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)Nc1ccccc1)c1ccccc1 24970083 KRUGZMIBNHDYHI-XMMPIXPASA-N 474.561 5.654 30 20 JKED C[C@H](OC(=O)c1ccccc1SCc1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2 26599566 QSOCSRRZGSHUBS-AWEZNQCLSA-N 468.625 5.646 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2cccc(C)c2)c1 28811028 XKPQDPJREQVWRV-UHFFFAOYSA-O 454.413 5.658 30 20 JKED C=CCN(C(=O)c1ccc(Cn2cccn2)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 107774445 NTIIZXJXJIKIAW-UHFFFAOYSA-N 459.358 5.788 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Cl 107877143 UACHMNZTUUJTBY-DEOSSOPVSA-N 477.951 6.102 30 20 JKED C=CCn1c(SCC(=O)NCc2ccccn2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 110655313 BKGWRJUYANWSFS-SFHVURJKSA-N 481.691 5.147 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1F 216104319 MBFQQAYXARJTSM-CYBMUJFWSA-N 450.461 5.408 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(CC#N)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 255933311 JFKVXXNGYYFGNL-UHFFFAOYSA-N 489.988 5.245 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 303020967 QZSHLLDOHFPYJG-UHFFFAOYSA-N 471.532 5.453 30 20 JKED CN(C)c1nc2sc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc2s1 410049433 OJQWQSUXQCZPKW-UHFFFAOYSA-N 493.561 5.614 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(N4CCCC4=O)cc3)s2)c(C(F)(F)F)c1 487391179 XBWPKORDBDJXED-UHFFFAOYSA-N 470.476 5.003 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 490629107 SAXMWLVWHMWBHN-UHFFFAOYSA-N 499.567 6.345 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)cc1 493966029 ZOZHZKRAXZSQMK-PKTZIBPZSA-N 461.359 5.836 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3nc(C4CC4)n(-c4ccccc4Cl)n3)s2)cc1 499313229 NNZLRXVPICADSG-UHFFFAOYSA-N 494.005 5.066 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC[C@@H](c3ccccc3F)C2)c1 500096748 DXBWOGBSNAPAJL-LJQANCHMSA-N 459.546 5.058 30 20 JKED COc1ccc(C2(CNC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 502156430 QIZPJKWNYSQBCB-UHFFFAOYSA-N 487.560 5.012 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 505174381 DSBSCVBIHUFDCY-UHFFFAOYSA-N 450.498 5.617 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 505643184 DCWHPBDOTQHWTL-UHFFFAOYSA-N 462.933 5.699 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 506418954 LALGJQASOPANAV-UHFFFAOYSA-N 486.341 5.013 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1 511481098 YOAFLJIXBUEVEQ-UHFFFAOYSA-N 470.520 5.049 30 20 JKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 511587281 JIQNUSIXAIXIMN-UHFFFAOYSA-N 465.940 6.408 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 511599138 YSZUYQDUKVPPQL-UHFFFAOYSA-N 477.948 5.295 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)c(C)c1Br 513139098 ZAYMKQAGQFLVAZ-INIZCTEOSA-N 463.257 5.156 30 20 JKED Cc1cc(C)cc(N(C(=O)CN(C)C[C@@H](C)C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 514097784 AZLLUYDOHFHLOF-SFHVURJKSA-N 497.462 5.946 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)N(Cc4ccc(C#N)cc4)C(C)C)c(=O)c23)cc1 514533985 AHCHEESAEJTAFN-UHFFFAOYSA-N 470.598 5.132 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCOc1ccccc1Br 514558824 ITFIQYHJDLIRTI-UHFFFAOYSA-N 466.335 5.614 30 20 JKED C=CCn1c(SCC(=O)N(C)c2nc3ccccc3s2)nc2sc3c(c2c1=O)CC[C@H](C)C3 515482308 VOFLQWVAWABISE-AWEZNQCLSA-N 496.683 5.134 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1nc2c(s1)CCCC2 516074568 ZLYZDGPAEHMAQT-UHFFFAOYSA-N 496.430 5.870 30 20 JKED N#Cc1ccc(CN2CCC3(CC2)Nc2ccccc2C(=O)N3c2cccc(C(F)(F)F)c2)cc1 517976813 JZUQOIVZYIBVSW-UHFFFAOYSA-N 476.502 5.642 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1C 518652851 GZOVNSSOEMHQFV-CQSZACIVSA-N 469.661 5.881 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)c4cn(CCC#N)nc4-c4ccc(C)c(C)c4)CC3)c[nH]c2c1 518897172 GAKSWPIMHLCGSH-UHFFFAOYSA-N 463.585 5.800 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1cccc(C)c1 519414795 WFYCKOZYIFDQLL-KRWDZBQOSA-N 451.621 5.399 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 519449223 ZNWUSZHCBFQPBB-AWEZNQCLSA-N 475.412 5.112 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 520198076 ZZAWIXQFTBPGHU-TZIWHRDSSA-N 467.635 6.117 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CSc3nncn3-c3cccc(Cl)c3)c2)cc1 521492494 RDWJXSREMNSCDS-UHFFFAOYSA-N 461.934 5.315 30 20 JKED COc1cc(C(=O)Nc2cc(C)nn2CCC#N)ccc1OCc1ccc(Cl)cc1Cl 521597654 IZTFLSQDDWXCDF-UHFFFAOYSA-N 459.333 5.252 30 20 JKED C[C@H](CNC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1c(Cl)cccc1Cl 523250944 BFLRWQVSSMFXRE-QGZVFWFLSA-N 496.394 5.497 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1C 523276120 CRCGHMLNJRYEFC-JOCHJYFZSA-N 498.562 5.290 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1 524183206 IWHMMDAODDLRTR-NRFANRHFSA-N 455.558 5.221 30 20 JKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524393303 YLQBXMBSGISCJN-UHFFFAOYSA-N 457.530 5.163 30 20 JKED C=CCN(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1nc(-c2ccccc2)cs1 591004236 UDHMJPUHBPYANW-UHFFFAOYSA-N 451.445 5.317 30 20 JKED C=CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 591714321 PHIYYEZPXAGGKB-UHFFFAOYSA-N 460.515 5.443 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2cccs2)n1C 603614543 VEXBQAKHFVOSCF-UHFFFAOYSA-N 477.590 5.188 30 20 JKED C=CCN(C(=O)CCCc1nc(-c2cccs2)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603636817 HCCCZYWSMJUKMC-UHFFFAOYSA-N 481.559 5.372 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 603831633 MHGGKTXTJASEQE-HSZRJFAPSA-N 464.569 6.224 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)c3cnn(C(C)C)c3n2)s1 603972093 SHQLUCFTBMFEPH-UHFFFAOYSA-N 459.575 5.984 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc(OC)c1OC 604090338 VEOPAKJELJQWNF-OAHLLOKOSA-N 481.936 5.912 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 604141649 VKTCKOIBKGOYGR-VGSWGCGISA-N 491.975 5.219 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1C 604450685 RRJMXQXAQBLDCG-UHFFFAOYSA-N 457.965 5.414 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nnc1-c1ccccc1 604547982 MGXJDNUGSODJQZ-SFHVURJKSA-N 484.585 5.706 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 608994490 LYVCIGVQEXCMKQ-UHFFFAOYSA-N 492.674 5.078 30 20 JKED CC[C@H](c1ccccc1)c1nnc(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)o1 609019511 XGYUDQXFUKOSSZ-OAQYLSRUSA-N 489.601 5.664 30 20 JKED N#C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1ccc(OCc2ccccc2)cc1 609028870 YUBVCQDZNBKZDU-HXUWFJFHSA-N 457.477 5.153 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 609079337 XFEYKTKTFZFAJX-QFIPXVFZSA-N 492.579 6.302 30 20 JKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2nc(-c3sccc3Br)cs2)cc1 609097658 CAVZAVCASLCMGV-MRXNPFEDSA-N 459.394 5.113 30 20 JKED COc1ccc(-c2noc(CCC(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)n2)cc1 609151590 GCHLDVXOTZNAMZ-UHFFFAOYSA-N 472.932 5.436 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609206905 XNKPCXDUUHIXED-UHFFFAOYSA-N 469.545 5.586 30 20 JKED N#CCCSc1ccccc1NC(=O)c1oc2ccccc2c1CSc1ccccc1F 609378723 GYHDEIUPESITJA-UHFFFAOYSA-N 462.571 7.122 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1ccc(I)cc1 609382988 ZDIRUWYWFHPGJP-AWEZNQCLSA-N 478.355 5.145 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 611871751 BWZICGDQTNVACX-QHCPKHFHSA-N 476.960 6.004 30 20 JKED C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618453918 VOTZRVWFLKMZHK-ICCXJUOJSA-N 461.328 5.879 30 20 JKED C=CCn1c(SCc2nc(-c3ccccn3)no2)nc2scc(-c3ccc(C)cc3)c2c1=O 642121764 JKIVUMVCUYGIEX-UHFFFAOYSA-N 473.583 5.357 30 20 JKED N#Cc1cnc2ccccc2c1OCCOC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 726362526 DBBFWSZYCHCWGZ-UHFFFAOYSA-N 482.323 5.623 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H](C)c1ccccn1)c1ccc(Cl)cc1Cl 726398951 WCBUYVYRBRNAOG-CNBLAZRZSA-N 491.444 5.179 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1=S 726785947 BJHRLALFUJSQRZ-HXUWFJFHSA-N 459.541 5.866 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cs1 727058458 OPHOSKUFBMYAGZ-UHFFFAOYSA-N 491.598 5.075 30 20 JKED C[C@@H](OC(=O)c1cnc(Cc2ccc(F)cc2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 727217126 GNZUSIGQZZEYLV-CQSZACIVSA-N 483.590 5.259 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)cc1 727306008 ZUDLZQIQVYRDEV-VWEWBFCZSA-N 463.581 5.754 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 727952795 QLGRCUALAXKQFA-CBUFDYBVSA-N 459.571 5.487 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(CCCCC#N)C2=O)cc1 728778146 QLQFZWAERYETCZ-QHCPKHFHSA-N 478.618 5.356 30 20 JKED Cc1ccccc1-c1cccc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2)c1 729643718 HIVDQGKRQSHEPK-ZROIWOOFSA-N 489.593 5.043 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 729670358 POBRQJYKVWPPRN-UHFFFAOYSA-O 496.996 5.227 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4cc(Br)ccc4c3Cl)n2)cc1 729892630 FDQZPLSHVRMJPZ-HNNXBMFYSA-N 498.814 6.802 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 730690217 QLPMEKZVPAZITP-GFCCVEGCSA-N 465.909 6.387 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cocn2)C1=O 730726306 DFZHCOXJDCENTN-JOCHJYFZSA-N 495.004 5.286 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 730943563 GGURCHKQSCHKIH-HRAATJIYSA-N 498.530 5.822 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)cc1 730962378 QBEFCPOBEYYNSE-QHCPKHFHSA-N 497.414 5.297 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731304778 AWIGWZLIGLCJJI-IBGZPJMESA-N 471.991 5.268 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1 731306440 MKHNPISMWKAWEL-XMMPIXPASA-N 495.645 5.319 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731310647 MMGCBRNMPFGUNC-BFUOFWGJSA-N 496.416 5.084 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)cc2)cc1F 731313433 ZCWWCVHHOZKWGZ-HSZRJFAPSA-N 493.560 5.009 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 743526543 VWDTYJYOFAFBGO-KSFYIVLOSA-N 480.540 5.390 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cc2ccccc2[nH]1 746693851 FONLJXVVAKOGAG-XMMPIXPASA-N 497.555 5.339 30 20 JKED COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1OCCCC#N 747361336 KVTRMTBWVSSJLX-ATVHPVEESA-N 489.384 5.872 30 20 JKED COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)c1OC 747434858 ZHXBDPLXPUBWJZ-XTFSCAMASA-N 493.567 5.347 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCc3nccs3)C2=O)cc1 747598386 AWNNQBNQYDSXPX-LJQANCHMSA-N 485.034 5.308 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cscn2)C1=O)Nc1ccccc1F 747602470 MOEBKJKWXQIJIU-JOCHJYFZSA-N 490.585 5.596 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cscn2)cc1F 747602979 NSCPKTNXAIGUSM-IBGZPJMESA-N 488.997 5.405 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)cc1C 747603628 UUYZUSSFUWYHCQ-HXUWFJFHSA-N 468.579 5.060 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC)C1=O 799214205 HOQYMVDRLPPXSV-LJQANCHMSA-N 463.962 5.248 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H](C)c3ccccn3)C2=O)c1 837301718 GNDAJBRWPPJTEC-JPYJTQIMSA-N 476.577 5.559 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3ccccn3)C2=O)cc1 837301939 QDIHMJZNBAEFGP-UUOWRZLLSA-N 486.597 5.314 30 20 JKED CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)C2)C1 904503563 CDLCNIFHWZJTNL-ZDPBTNRZSA-N 491.523 5.317 30 20 JKED Cc1cc(CSc2ncccc2C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)no1 914895813 QGCADSDTQPEXAP-UHFFFAOYSA-N 469.566 5.727 30 20 JKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915106534 CQVAWSGHDKCBOQ-FUHWJXTLSA-N 458.896 5.106 30 20 JKED COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916135764 PLWGGGHVLBYLCV-RGEXLXHISA-N 481.470 5.944 30 20 JKED COc1cc(-c2cc(C(=O)Nc3cccc(OCC#N)c3)c3ccccc3n2)cc(OC)c1OC 916409849 QMUQEZAMEDEJLN-UHFFFAOYSA-N 469.497 5.082 30 20 JKED COc1ccc(-n2c(SCC(=O)[C@H](C#N)c3ccccc3)nc3ccccc3c2=O)cc1Cl 916622916 REVVJWKUVHBVKK-LJQANCHMSA-N 475.957 5.016 30 20 JKED N#C[C@H](C(=O)CSc1cccc2cccc(Cl)c12)c1nc(O)c2c3c(sc2n1)CCCC3 916847721 UMPTWPVMUHNKFI-OAHLLOKOSA-N 480.014 6.051 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(OCc2cscn2)c1 916906063 BLSATVUIFUNTCA-QFIPXVFZSA-N 469.522 5.476 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1cccc2ccccc12 916917630 IEBDTKQICFRXFW-HXUWFJFHSA-N 479.483 5.872 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916927211 GBGZGEJOSIRSKP-OAHLLOKOSA-N 464.761 5.660 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927651 AAPNLNZIIDOTOG-LBPRGKRZSA-N 462.314 5.170 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916932171 RKXJCJYCEIHECL-YGRLFVJLSA-N 472.191 5.584 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 916972565 NWURKKYDFOYGKG-BJKOFHAPSA-N 465.578 5.856 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1nc(-c2ccccc2)cs1 917026841 POKCIGVEEFLBJL-QGZVFWFLSA-N 462.531 5.077 30 20 JKED C=CCN(C(=O)CN1CCC[C@@H](c2cc[nH]n2)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 917174799 YYFSWDPYJLHIKL-MRXNPFEDSA-N 476.433 5.239 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2ccc(F)cc2)s1 917680198 GQRDOMPZKHQOAU-NRFANRHFSA-N 467.591 5.034 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(Oc3cc(C)ccc3C)nc2)C1=O 917682146 GKTJYRUGQQFOPD-HSZRJFAPSA-N 488.613 5.067 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(Cl)s2)C1=O)NC1CC1 917701300 OBYAYSSUYOTVRV-IBGZPJMESA-N 470.019 5.355 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc2ccccc2c1 917702148 ZOFDNDSASMCMGC-XMMPIXPASA-N 491.613 5.235 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1=S 918736354 UFLNKGJMAYVVIW-KBPBESRZSA-N 484.897 5.941 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2c(-n3cccc3)sc3c2CCSC3)c1C 919023674 JVYNBWPGBQVNBQ-UHFFFAOYSA-N 479.627 5.049 30 20 JKED COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(OC)c(Br)c3)cs2)cc1 920064228 QPQINVISBAJRJM-RUDMXATFSA-N 460.349 5.398 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c2c1C 920112693 HDVXMMSABATXCW-CYBMUJFWSA-N 459.021 5.930 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3c(C)noc3C)C2=O)cc1 920355851 QCIHTGZTWHSBCS-HSZRJFAPSA-N 492.601 5.159 30 20 JKED Oc1nc(CN[C@@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)nc2cc(C(F)(F)F)ccc12 1171472347 ZSZOEDLCMVDJCD-KRWDZBQOSA-N 458.337 5.368 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCOc4ccccc4)cc3)CCC2)c1 1787677089 RNDLJLMAWZOMER-OAQYLSRUSA-N 467.569 5.530 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C)nn3CC)CCC2)cc1)c1ccccc1 1789600426 LIEYSQZAGJNPNQ-VWLOTQADSA-N 468.601 5.156 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCNc4ccc(C)cc4C)CCC3)cc2)c1 1790074326 MIMIAROIHLWQQD-UHFFFAOYSA-N 496.611 5.434 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5Cl)[nH]n4)cc3)CCC2)C1 1790137622 KZWUBPGKUWCHFD-UHFFFAOYSA-N 460.965 5.444 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)CCC1 1790161015 LBUNLZUMXGMLQA-UHFFFAOYSA-N 498.480 5.191 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccsc4)CCC3)cc2)ccc1F 1790519403 UGJDJNIWFJOEHJ-YCRREMRBSA-N 459.546 5.149 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5cccnc5)cc4)cc3)CCC2)c1 1790590564 DPQNPKLGHWNPHM-UHFFFAOYSA-N 472.548 5.682 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4O)CCC3)cc2)cc1 1790708001 ZYNKNMDLNOPINY-UHFFFAOYSA-N 465.509 5.266 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CC4)CCC3)cc2)ccc1Br 1790744402 DDFKLPNAPIXSLB-NYYWCZLTSA-N 464.363 5.035 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)COc4cccc(Cl)c4)CCC3)cc2)c1 1790762220 ZQWANUJPQKBMFX-UHFFFAOYSA-N 477.923 5.177 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4F)CCC3)cc2)c(Cl)c1 1790767812 NLEMPFROFCGQRD-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790946443 FFUHIMRKHQEQST-UHFFFAOYSA-N 451.526 5.589 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc(CCCCC)s3)cc2)CCC1 1791075536 XQTPAZVKBUXKJB-GOSISDBHSA-N 455.624 5.215 30 20 JKED CCCCCc1ncc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)s1 1791076721 FXYFJILGPKDOTE-UHFFFAOYSA-N 450.608 5.317 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)Cc3ccccc3)cc2)CCC1 1791523444 HQQLYUZTWKCCCS-JOCHJYFZSA-N 491.632 5.080 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3)CCC2)c1 1791531958 AOPHWTLEXNTUSR-IZZNHLLZSA-N 465.553 5.118 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)C4(CC)CCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681303 FVSIEKKMYNWJSV-QFIPXVFZSA-N 481.637 5.266 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792207769 ICFGYENKVUOGLS-TUACAJSNSA-N 493.648 5.102 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5[nH]nc(C(F)(F)F)c5c4)CCC3)cc2)CCC1 1792233537 OIJWXPBPGGBDDK-UHFFFAOYSA-N 481.478 5.023 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C3)cc1 1792482572 OPLAHLJXKQPQNQ-ACDBMABISA-N 489.925 5.115 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(-c3ccccc3)s1)C2 1798420772 SUCHRJAUJGXEKC-KOUNCHBCSA-N 479.722 5.113 30 20 JKED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cccc4s2)C3)c1 1799284270 IDTRNTZGCOODMF-BCDXTJNWSA-N 479.989 5.001 30 20 JKED CC(C)(C)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/N2CCCCC2)C3)cc(C(C)(C)C)c1 1800556202 WLRZHRBJEJYHPS-XEOJSXGYSA-N 480.697 5.005 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@](C)(OC)c2cccc3ccccc23)[C@H]1c1cccnc1 1802433219 WDCKXWLVIFQVQJ-UWTQQKGLSA-N 485.628 5.015 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1802492988 SVJKJVLBKHFMBL-SHQCIBLASA-N 484.644 5.697 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@H]1c1cccnc1 1803084171 OSYXUCAMIILPTG-WAFQHWAMSA-N 498.627 5.059 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1803089930 DLWQJRDDARHZHL-NZQKXSOJSA-N 489.513 5.328 30 20 JKED C[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC#N)cc3)CC2)C1)c1ccc(Cl)cc1 1805198050 GSDNWKUIJFSYRB-FQEVSTJZSA-N 464.009 5.055 30 20 JKED N#CCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)CC2)C1 1809026296 XMYIMDPBCHUHHL-UHFFFAOYSA-N 485.506 5.256 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1809154991 MBLJJRSVTACREF-XUZZJYLKSA-N 459.590 5.448 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)oc2ccccc12 1809169090 FKGNWVGTZRSHCT-BNAYCWRJSA-N 492.579 5.397 30 20 JKED Cc1cccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)[nH]c12 1809754621 SOPXELMNCSBLBQ-PRRYLYCMSA-N 491.595 5.132 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)[C@H]1c1cccnc1 1810175487 SESKLQIAGZXDHT-CKOJHNACSA-N 498.602 5.371 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1810448773 XVYKJNHWSSQKQB-KERJZVRCSA-N 479.624 5.088 30 20 JKED C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(CCCC)cc3)cc2)[C@H]1c1cccnc1 1810600664 DEOVHOUGXXDMHD-XRKRLSELSA-N 465.597 5.044 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810728666 ZDNWIOKHTNWANI-IRPSRAIASA-N 481.596 5.387 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(SC)cc2)[C@@H]1c1cccnc1 1813239276 ULXFUWUZTQDLFF-DHLKQENFSA-N 465.663 5.044 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1813869665 MBQZNYQRSRZGMM-XEDGMNADSA-N 486.660 5.491 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1813971423 QIRKSWBRPYMSMP-KKLQWCBXSA-N 489.513 5.328 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)cc1 1814379350 QUVAZGGNWSVYHC-QFIPXVFZSA-N 495.505 5.239 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)[nH]n2)C1 1814394012 VVFJWSONNWJPRG-QFIPXVFZSA-N 490.604 5.635 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(Br)c3)[nH]n2)C1 1814398523 LPSMESKTJZYBPC-SFHVURJKSA-N 477.790 5.098 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)[nH]n1 1815206743 CPBRSYULUJLGNM-GOSISDBHSA-N 458.628 5.057 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)[nH]n2)c1 1817745156 URIXDWKEQQNYPN-ZJSXRUAMSA-N 477.634 5.040 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)[nH]n1 1819385058 IBSDWCSPKWZRIS-FQEVSTJZSA-N 460.670 5.125 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](c1ccccc1)N(CC)CC)CC2 1820100466 JCVLPDFEERGWON-OFNKIYASSA-N 482.694 5.131 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c1Cl 1820219569 TZEUTBCKZHFYEV-KRWDZBQOSA-N 479.949 5.362 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)n[nH]1 1821786267 HNRIEQABTGPWQW-LYLBAIIYSA-N 496.599 5.265 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(Br)cc23)[nH]n1 1821921847 VSCLAWSTQJGTGP-YCRPNKLZSA-N 498.425 5.101 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 1822346403 MJFSDVYGMVFMIN-LJQANCHMSA-N 492.567 5.072 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)n[nH]1 1822579298 DXQULEMGBKFJFA-XUZZJYLKSA-N 493.652 5.413 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823310954 MMDVDMUDDYFTCO-MRXNPFEDSA-N 453.757 5.089 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)CC2)cc1C#N 1823782720 QDKYCTNQDXVDBX-HHHXNRCGSA-N 499.655 5.311 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823896232 RAOMRLGITUQLOM-RXFWQSSRSA-N 461.581 5.308 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1824243271 POGRUQJSBKJCCU-PXJZQJOASA-N 489.635 5.299 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824245912 BEVCQUGBRHVQAM-NOZRDPDXSA-N 477.114 5.619 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2nc(-c3ccccc3)sc2C)CC1 1825102580 PAVDJQYCUMYKNG-RUZDIDTESA-N 477.674 5.084 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)sc2c1 1826202025 DRXWEQBRSUUVEJ-HSZRJFAPSA-N 472.614 5.024 30 20 JKED CC(C)c1nn2ccccc2c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1827381416 FOIQERQHVCATAA-RUZDIDTESA-N 497.643 5.071 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cs2)CC1 1827724066 YSTMYTZHMSOYKA-UXHICEINSA-N 479.484 5.512 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2c1 1828124070 VZEYZVUMBLIXME-LYZGTLIUSA-N 482.628 5.651 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828161423 PXVJZKIXFKTLRG-CJFMBICVSA-N 469.576 5.448 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)CC2)c1 1828166800 RZIBRRIWNQPKJR-VWLOTQADSA-N 487.003 5.307 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC1 1828353618 PESIOMZOSDDSSG-ZJSXRUAMSA-N 487.566 5.557 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C)c2)CC1 1830001715 HZPJPJLPHPVRTL-JWQCQUIFSA-N 497.680 5.088 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3F)CC2)c(Cl)c1 1830084129 WEFXHTMSPDYAJQ-JOCHJYFZSA-N 471.935 5.037 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)cc1Cl 1830471600 KHRRABJLUGYXDM-JOCHJYFZSA-N 472.029 5.054 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830624784 FVVXCYBPOBPLJJ-RUZDIDTESA-N 480.008 5.076 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccsc3)CC2)cc(C(F)(F)F)c1 1830756799 XDTDCKPIXBOQNS-QFIPXVFZSA-N 489.563 5.115 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(C)CC=CCC3)CC2)cc1C#N 1832411651 QHSSVPMRGBPCRG-IRPSRAIASA-N 477.649 5.325 30 20 JKED Cc1scc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1832635308 ZKXZRWNBWAWXDI-CJAUYULYSA-N 463.647 5.539 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(C(F)(F)F)c(F)c1Cl)C2 1844356771 NNQDABPKBWWBAX-UHFFFAOYSA-N 460.899 5.307 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1847827239 PIAAFXVDRUBFAW-FKBYEOEOSA-N 492.563 5.268 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2Cl)cc1 10826420 YMSHHLSRAXXNNV-UHFFFAOYSA-O 459.969 6.254 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1cccc(O)c1)c1ccc(-c2ccccc2)cc1 10830260 RPVNDDIGUKXQFD-UHFFFAOYSA-O 459.978 6.051 30 20 JKED Cc1oc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)c(C#N)c1C 22192427 IPVYZXBNCXGYLB-CPNJWEJPSA-N 493.519 5.304 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nc2sc3c(c2c1=O)CCCC3 22354150 LTRPVVFWKOFSBT-UHFFFAOYSA-N 487.050 5.049 30 20 JKED C[C@@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)N(CCC#N)c1ccc(F)cc1 23539457 UBKYRAOVTWCZNY-CQSZACIVSA-N 498.630 5.290 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)c1 24112088 XTTITMANJJQNSD-SFHVURJKSA-N 453.999 5.273 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)nc2ccccc2c1=O 24172316 OYPVVFCNHOGJNY-UHFFFAOYSA-N 478.599 5.025 30 20 JKED C=CCSc1ccccc1NC(=O)CN(CC)CC(=O)Nc1c(Cl)cccc1Cl 27563826 CJFPBPXLYDOPEY-UHFFFAOYSA-N 452.407 5.171 30 20 JKED N#Cc1ccc(NC(=O)CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1Cl 33727665 UUQWFGWXFGLRMN-UUYOSTAYSA-N 490.947 5.466 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2sccc2c1=O 36799806 WJQPTSKTKBWTDN-UHFFFAOYSA-N 460.795 5.335 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 46861556 LTNQSDVOUWKJPI-JOCHJYFZSA-N 473.989 5.615 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)n2)cc1 72032229 YSGAYGJJQPDENA-HSZRJFAPSA-N 488.590 5.283 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 247942244 XSIRFKXCRWHNJU-KRWDZBQOSA-N 456.951 5.298 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OCC)c(OC)c3)n2)nnc1-c1ccncc1 255929781 MPVYWKVEKAWDKG-UHFFFAOYSA-N 465.604 5.349 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 409455407 GRIXZCVDMOVLED-RUZDIDTESA-N 472.976 5.361 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccc3c(c2)OCO3)n1 409991189 HCKAQFYIUDJMCO-UHFFFAOYSA-N 482.562 5.327 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCCCN1CCN(c2ccccc2)CC1 486927166 RPIKBLRNUPGMKN-UHFFFAOYSA-N 470.642 5.042 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3csc(Br)c3)s2)c(C(F)(F)F)c1 487349069 DRKONGZOGFTONQ-UHFFFAOYSA-N 472.311 5.701 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 487835112 KTCJQKUKMSZBOH-UHFFFAOYSA-N 479.502 5.155 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 500756273 TYFCFIBSZWVIHF-UHFFFAOYSA-N 475.570 5.132 30 20 JKED C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nc2sc3c(c2c1=O)CCCCC3 501113865 VDMRPPOUEPHCRO-UHFFFAOYSA-N 490.610 5.600 30 20 JKED CCc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1Cc1ccccc1 501470173 HWRWXMQLCFJESG-UHFFFAOYSA-N 450.542 5.391 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(CCC(=O)Nc3ccccc3Oc3ccccc3)CC2)c1 502194570 KCENKJAQAMATLS-UHFFFAOYSA-N 468.557 5.030 30 20 JKED COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc(OC)c1OC 505094962 WISHPYMTLAFSLK-SILNSSARSA-N 485.584 5.561 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)c2C#N)C1 506602807 JTJHEEHSEJAQBA-OAQYLSRUSA-N 477.674 5.581 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 508285046 GPEAXMJQBPBEHT-UHFFFAOYSA-N 460.578 5.306 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 509917577 DOPSVSYLFFGSNF-VWLOTQADSA-N 471.557 5.718 30 20 JKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 510905660 RIXZXMMAFWPPLI-UHFFFAOYSA-N 456.615 5.758 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3cccc(Br)c3)c2)c1 511461538 VSQIHXKSRRHDPU-QHCPKHFHSA-N 489.373 5.942 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)c2)cc1 512229053 PDNZGLKWQKWNDZ-UHFFFAOYSA-N 465.340 5.467 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccc(F)cc2F)C2CCCC2)CC1 512282052 SRGPDEHWDFMDKM-UHFFFAOYSA-N 480.515 5.272 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2[N+](=O)[O-])n1 513167650 XIQRNZSEKMXWGD-ZDUSSCGKSA-N 464.450 5.415 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 513320696 OFOFCUGVEWTCRB-UHFFFAOYSA-N 458.374 5.704 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nc2sc3c(c2c1=O)CCC3 514292179 AYLVBRSNYPUGIZ-INIZCTEOSA-N 467.660 5.684 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(NC(=O)CCC)c1 514648410 AKAIPQWTJMTROU-UHFFFAOYSA-N 462.363 5.225 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)o1 515581352 NFQZZQFPTZGNJQ-UHFFFAOYSA-N 469.472 5.052 30 20 JKED COc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1Br 515676493 KLVIQLSPDAAKPU-UHFFFAOYSA-N 478.346 5.153 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)cc1OC 515935632 FPFHBUAHSUGWNJ-UHFFFAOYSA-N 484.911 5.566 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(NC(=O)c4ccco4)cc3C)n2)cc1 516269962 GVKVTBXSZMBMHG-INIZCTEOSA-N 463.540 5.524 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1Cl 517297886 ZNORDWCJINXYBJ-RBBKRZOGSA-N 485.893 5.744 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1C 518912386 CKJCTLKQHAQGRM-SFHVURJKSA-N 458.472 5.316 30 20 JKED C=CCn1c(SCCCCC(N)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 520477835 VUOVBFFVHHVCGQ-UHFFFAOYSA-N 457.603 5.402 30 20 JKED COc1cccc(/C=C(/CC(=O)Nc2ccccc2SCCC#N)c2nc3ccccc3s2)c1 520804593 VHDIMDDZRAIECS-SILNSSARSA-N 485.634 6.880 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)N[C@@H](C#N)c4ccc(C(C)(C)C)cc4)nc(O)c23)C1 521292394 NJSCZDVDSUHXCA-BEFAXECRSA-N 462.619 5.133 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N 521748728 ZRIFSCSOAXFNFU-BEFAXECRSA-N 474.424 6.078 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 523278020 BSGCOBYFOFMQQR-UHFFFAOYSA-N 477.520 5.114 30 20 JKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)Cc1ccc(C#N)cc1 523678309 PQZSNSKWSDCECL-UHFFFAOYSA-N 454.961 5.325 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1cccc(Cl)c1 523917992 BUADIGNVZCZXQD-OAQYLSRUSA-N 463.921 5.219 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(OC)cc1 551738821 ONTXYSDSMWDEKW-HSZRJFAPSA-N 477.948 5.005 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)c1nc(-c2ccccc2)cs1 589287372 JSOPGMOZOKDXBT-UHFFFAOYSA-N 474.630 5.293 30 20 JKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)Cc2cccc(C#N)c2)cc1OC 603521267 FXKMNBBPDCVBDE-KQWNVCNZSA-N 489.575 5.883 30 20 JKED Cc1sc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c(C#N)c1C 603637159 BHJRDWOFJTZAPJ-UHFFFAOYSA-N 468.376 5.433 30 20 JKED Cc1csc(Sc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2[N+](=O)[O-])n1 603972103 UJCGNFYDGZPELL-UHFFFAOYSA-N 454.533 5.446 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1Cl 604084989 RBEZDKONKJPGFC-QFIPXVFZSA-N 479.005 5.437 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3-c3ccc(Cl)cc3)cn2)cc1 608865722 UPIKTQGLXCEGOK-UHFFFAOYSA-N 482.927 5.321 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 609078704 JPEFQEBXPRWSBT-VWLOTQADSA-N 469.541 5.586 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)c1 609123698 CWAJTTDDMFZKOZ-HZPDHXFCSA-N 489.391 5.871 30 20 JKED N#CCCSc1ccccc1NC(=O)c1oc2ccccc2c1CSc1cccs1 609375542 NOBYEHNDAKBSQI-UHFFFAOYSA-N 450.610 7.045 30 20 JKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c3c(C)noc3n2)c(C)o1 613320197 URMCAGZDPSOAKB-LJQANCHMSA-N 488.956 6.675 30 20 JKED Cc1c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1cccc(C(F)(F)F)c1 618301984 ZTZFDSSFWFJNKV-CHWSQXEVSA-N 473.339 5.402 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)c(OC)c1 620258838 LHVUZBLYLUTJHR-GOSISDBHSA-N 496.995 5.108 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1 637295571 VNHXWDZQQOCGOP-HSZRJFAPSA-N 482.005 5.094 30 20 JKED C=CCN(C(=O)c1ccc(-c2cccs2)nc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 650372773 XULPOZXZDRTGSI-UHFFFAOYSA-N 495.651 5.478 30 20 JKED Cn1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1-c1ccccc1Br 726325907 WMQWOICPAJBASM-GOSISDBHSA-N 487.382 5.940 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)s2)c1 726395502 DRSFFRIBEIMDCQ-JOCHJYFZSA-N 495.626 5.234 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2nc(C)c3ccccc3n2)cc1 726397638 IJBWAPDUOOYKQQ-DEOSSOPVSA-N 495.608 5.407 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cscn2)c1 726406653 YGZGENOBPZZBBL-DEOSSOPVSA-N 496.617 5.438 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(C)C)cc1 726415103 HRTIOOFSPVEUQY-QHCPKHFHSA-N 492.601 5.239 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccco3)C2=O)c1 726419161 DEXYSWHLEMQJEX-QVWGDZHESA-N 467.616 5.548 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Br)cc2)[n+]2cccc(O)c2)cc1Cl 726572362 ZWYCQHLYJFZCKF-UHFFFAOYSA-O 487.786 5.291 30 20 JKED COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 726696364 NXTJJIZPLULJQP-XZOQPEGZSA-N 460.965 5.404 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 728423063 OHMIKNUFBQKKPP-KSFYIVLOSA-N 489.988 5.328 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(CCCCC#N)C2=O)cc1 728777899 AGHQLTCTDMVWCX-DEOSSOPVSA-N 490.629 5.667 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(N(C)C)cc2)c1 728840645 MRALWMQZAXXGHL-UHFFFAOYSA-N 484.021 5.064 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@H](c2ccccc2)C2CCC2)C1=O)NC1CC1 729145131 IGWQNLPQPWHFIS-FYYLOGMGSA-N 469.557 5.106 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 729650501 XMDQJHIWRABGAI-UHFFFAOYSA-N 461.699 5.176 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 730446740 UHLBQHBRFHGDHN-JOCHJYFZSA-N 494.334 5.343 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@@H]2CCCO2)cc1F 730533201 DSNTUJKIARUTCL-UWJYYQICSA-N 490.000 5.235 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1 730711008 WXBRDHGHSGUZPX-GOSISDBHSA-N 493.347 5.281 30 20 JKED Cc1nc2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2n1-c1ccccc1 731063310 IZIUNWLTIVHWPX-SFHVURJKSA-N 484.581 5.381 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(c1ccccc1)c1ccccc1 731077889 LMQOXURSWIYMLU-FQEVSTJZSA-N 458.583 5.569 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)c(Br)c1 731132262 XFHFNYKEOSFNRI-QRWLVFNGSA-N 480.337 5.060 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1 731306336 VJDIKBMKCVAUKS-OAQYLSRUSA-N 465.600 5.177 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 731311965 JGSFPPBSMXXZNR-UZUQRXQVSA-N 489.622 5.465 30 20 JKED COc1cccc([C@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)c1OC 732039144 UVGCRKAAXYZJAK-JOCHJYFZSA-N 466.534 5.171 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743442953 HXLHLGJVPUIXAJ-HNNXBMFYSA-N 454.338 6.112 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1cccc2ccccc12 799209744 CMAURAPYBATODI-XMMPIXPASA-N 471.582 5.222 30 20 JKED O=C(COc1ccc(C(=O)/C=C\c2cccc(NC(=O)C(F)(F)F)c2)cc1)Nc1ccccc1 810226344 DOEOOVLCDKKRAS-ZROIWOOFSA-N 468.431 5.101 30 20 JKED CCOc1c(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)c(C)nn1CC(C)C 812451072 CADNRTPOXLRLLI-UHFFFAOYSA-N 470.643 5.019 30 20 JKED COCO[C@@H](C)c1cc(F)c(CNc2cccc(C#N)c2Br)cc1Br 864016159 UMQVHSIAHCEIJO-NSHDSACASA-N 472.152 5.516 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 913118097 MMXZPJDYVRTMLY-NRFANRHFSA-N 496.589 5.006 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(Cl)s1 914542908 JLYQGMQGRQRRQZ-INIZCTEOSA-N 468.431 5.164 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 915351407 AVRILXNUORJUOJ-QHCPKHFHSA-N 452.583 6.363 30 20 JKED CNS(=O)(=O)c1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 915989452 HEPNHFIGIZGSMC-FLIBITNWSA-N 489.380 5.050 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=S)NCCCc1nn(-c2ccccc2)c(N)c1C#N 916013794 ZQCPIDCVLNZGPA-UHFFFAOYSA-N 460.651 5.492 30 20 JKED COc1cccc(NC(=O)/C(=C\c2ccc(OC)c(OC(F)F)c2)C(=O)c2ccccc2)c1 916156744 YNGMZDYOPLCGKD-MOSHPQCFSA-N 453.441 5.210 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(C)c1C 916207512 FTKHTTDKVJLZAF-IBGZPJMESA-N 472.408 5.212 30 20 JKED Cc1sc2ncn(N=Cc3cc(Br)ccc3OCc3ccccc3)c(=O)c2c1C 916310776 JECMYTHNORLWAT-UHFFFAOYSA-N 468.376 5.299 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 916907841 NNXZHPIXZRUDND-DEOSSOPVSA-N 461.993 5.762 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916919258 VHPMPXZLEGVMHE-OAQYLSRUSA-N 484.968 6.163 30 20 JKED Cc1cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1C1CCCCC1 916927223 GJUKLSYQKAFLHS-ZBWUASRJSA-N 458.389 6.278 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 916955723 TXTNOJSHMKEMHL-KKSFZXQISA-N 472.511 5.178 30 20 JKED COc1ccc(C)cc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916977786 YVXPDPVYRYPZPL-FUHWJXTLSA-N 465.962 5.010 30 20 JKED C#CCN(Cn1nc(-c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1=S)[C@H]1CCc2ccccc21 917456511 JUDMFMZRBLAYHI-RLWLMLJZSA-N 483.641 5.322 30 20 JKED CC(C)c1ccccc1N=C1SCCCN1C(=O)CCC(=O)N1CCc2sccc2C1 917548135 KMLHAQUMIMHOOU-UHFFFAOYSA-N 455.649 5.190 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/SC(=Nc3cccc(C)c3)NC2=O)cs1 917562706 ILRZHKBBIYYZFC-YBFXNURJSA-N 468.991 5.681 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccc(C)s3)C2=O)cc1 917663361 AXCPWEDVBZCOBA-QFIPXVFZSA-N 495.601 5.559 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c1C 917670516 ZDPMTXXSAXXJJC-YOSAUDMPSA-N 494.636 5.030 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 917680622 JJWXLIGUEYEZIW-UZUQRXQVSA-N 491.592 5.008 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(F)c3)C2=O)cc1 917704006 PZFKIITVKCBSDX-QHCPKHFHSA-N 472.545 5.166 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 917812768 HDPODUMUMBPWGT-UHFFFAOYSA-N 481.487 5.188 30 20 JKED C[C@@H](Cc1ccccc1Cl)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918269608 PJVARJLJMFRYDE-HNNXBMFYSA-N 468.340 5.343 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)c1ccco1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 918492430 RXWUXEXLNNAKHX-KBWYRYLDSA-N 463.603 5.075 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccccc1-c1ccccc1 919512679 JSAVQIXGBBXUPE-LJQANCHMSA-N 466.493 5.581 30 20 JKED N#C[C@H](C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)c1nc2ccccc2[nH]1 920102896 MAASKNRDCNRIRT-OAHLLOKOSA-N 460.324 5.763 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 921249672 MTVGEEWFYJRAHB-NNPSNHGLSA-N 483.688 5.737 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 927533670 NIWKUCQLUPDOFS-CQSZACIVSA-N 457.914 5.095 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1 928531941 HJCPGFVXHMOEKP-GOSISDBHSA-N 479.558 5.011 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3CSc3ccccc3)CCO2)C1 1778888219 ZBRBIKQMRCGILZ-VAVYLYDRSA-N 490.669 5.191 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3oc3ccccc34)C[C@@H]21 1783542244 OCARTDIEVHGOSH-QXWFJRNPSA-N 474.601 5.172 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1786371026 JGZPCRGKHYUYFZ-MRXNPFEDSA-N 451.954 5.160 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCCCNC(=O)OC(C)(C)C)cc2)CCC1 1786563175 BXQLAMXUTSPIBT-IBGZPJMESA-N 457.615 5.028 30 20 JKED CC[C@H](C)[C@@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)NCCC#N)cc2)CCC1)c1ccccc1 1788029436 VDCQBJIOVCBJFX-SQJMNOBHSA-N 474.649 5.232 30 20 JKED Cn1nccc1-c1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)sc1Cl 1788380274 AJQXEIFHHBZYIA-UHFFFAOYSA-N 482.009 5.099 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc4sccn4c3)CCC2)cc1 1788649228 BJDSMRGLLWDTIT-CMDGGOBGSA-N 475.595 5.249 30 20 JKED Cn1ncc2c(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5Cl)CCC4)cc3)cccc21 1789090100 XZLFTHFGSDQFKI-UHFFFAOYSA-N 483.959 5.160 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)s4)cc3)CCC2)c1 1789861238 ZWKMSRAXKJOZLO-UHFFFAOYSA-N 464.978 5.049 30 20 JKED COc1ncc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083113 OTYNHALFNSAYJL-UHFFFAOYSA-N 495.366 5.330 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)c(Cl)c1 1790767897 PBTIYEFDILYPAX-UHFFFAOYSA-N 480.955 5.821 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791252308 NSCDAWJQUXVQCW-NRFANRHFSA-N 497.680 5.760 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3-c3ccccc3)CCC2)cc1)C(F)(F)F 1791303348 WNMPZIDMROSLIE-UHFFFAOYSA-N 469.463 5.516 30 20 JKED CC(C)n1cc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)c(C(F)(F)F)c1 1791575273 KQFIHAGQFIZLBJ-AWEZNQCLSA-N 453.530 5.154 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cncc(C(F)(F)F)c4)cc3)CCC2)c1 1791772378 NOIOCVLGQPASNS-UHFFFAOYSA-N 492.501 5.353 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)ccc1F 1792101547 YPVDYTXLUFDZCD-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Br)c3)CCC2)cc1 1792268664 WMRFKYXHVFYBAO-UHFFFAOYSA-N 459.771 5.264 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)CC(=C)C)CCC2)cc1 1792331292 NLBYRYLGUCKPAU-JOCHJYFZSA-N 481.637 5.030 30 20 JKED N#Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](F)c4cccc(F)c4)c2)C3)cc1 1792638134 DREIRGMIFFEVPV-LLNGEMMXSA-N 499.561 5.251 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(N(C)C)c3ccccc23)c1 1797467808 HAKKCUJINLUIJG-LSUHJGNXSA-N 480.612 5.098 30 20 JKED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCCCCc2ccccc2)C3)c1 1799422148 DJFSGRYJBSYSPE-QEIWAGNOSA-N 460.622 5.112 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cccc2Cl)[C@H]1c1cccnc1 1802495572 LETFFNVVGCSQNI-GCJKJVERSA-N 457.977 5.186 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2C)[C@@H]1c1cccnc1)c1ccccc1 1802703663 DEKYWBGTCNWFMB-XDIPAPSNSA-N 483.587 5.046 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1804168522 PKCZAHDIMFQWHL-YGJADXPJSA-N 491.701 5.453 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H](CCC)n2cccc2)[C@@H]1c1cccnc1)c1ccccc1 1808341014 CHRGINBIDZMADD-VVZGZWEYSA-N 496.655 5.128 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC4(CCN(C(=O)c5cccc([C@H](C)C#N)c5)CC4)C3)sc2c1 1808824809 AUPRUNBVTPKANT-HXUWFJFHSA-N 486.641 5.390 30 20 JKED C[C@H](CC(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1ccccc1 1810271620 IEHVUSSIAUTMDC-ZSOKXDGFSA-N 489.736 5.332 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810459494 XZEMADNTBILASB-IARZGTGTSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1810499695 HGOHAKPLIMWREO-NQIIRXRSSA-N 477.527 5.314 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1)C(F)(F)F 1812683510 PHSSSYBXXFPVNT-WZONZLPQSA-N 493.485 5.419 30 20 JKED Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c1Cl 1813827828 VUQARHIDOJEXKI-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(Cl)cc3Cl)[nH]n2)C1 1814396499 GYWZBLMUPGGEGX-HXUWFJFHSA-N 461.393 5.308 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)[nH]n2)C1 1814398924 ZYQLBAJPAIKFPY-IBGZPJMESA-N 480.918 5.283 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)COc3c(Cl)cc(Cl)cc3Cl)n[nH]2)C1 1814688126 TWRWWERYWQELKF-GOSISDBHSA-N 497.810 5.407 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1814829507 SJBLQEYTZPTARX-OAQYLSRUSA-N 465.985 5.619 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)[nH]n1 1814831215 VFIMWEHYEVYIIP-IRLDBZIGSA-N 499.656 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(F)(F)F)n[nH]1 1816424879 HHQCFACDOZAVOD-GOSISDBHSA-N 463.504 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(CC)nc3ccc(Cl)cn23)n[nH]1 1817959355 KKARPFDTFYVOKU-HXUWFJFHSA-N 497.043 5.572 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)nc(CC)c2)n[nH]1)c1ccccc1 1818366724 NTUGFVIQJCTAQK-AHWVRZQESA-N 483.616 5.179 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ncccc34)n[nH]2)c(Cl)c1 1818473465 GRMVWKYMGRWKDW-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)[nH]n1 1819308156 XACRXWLPSRECEC-WIOPSUGQSA-N 469.589 5.546 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C)oc1C(F)(F)F)CC2 1820098438 SFICSWWCYIYPLY-ZDUSSCGKSA-N 469.529 5.282 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c1Cl 1820220964 KSTKMLLTXBMMKQ-AWQBJMPUSA-N 465.985 5.067 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820229583 RWKYCMBTNWPURI-FQEVSTJZSA-N 470.957 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(Cl)c3)n[nH]2)c1 1820502272 FFGFOSIATLGIQA-OPAMFIHVSA-N 461.953 5.310 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(Br)c(F)c2)n[nH]1 1821790779 RSVSVFXVMLHTOM-MGPUTAFESA-N 491.405 5.148 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1821921927 YSHRNSQYJMWQAF-JTSKRJEESA-N 461.541 5.129 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)[nH]n1 1822392886 HFDLPBVDFMIEJB-OAQYLSRUSA-N 497.571 5.005 30 20 JKED Cc1ccc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1823144744 AMAGARXXTZMLLK-DVECYGJZSA-N 455.562 5.273 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccccc3F)[nH]n2)c1 1823216591 XGGFFFOTGSVZKC-HOYKHHGWSA-N 473.552 5.115 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823682776 FOTNBTDHOMDKSR-AMGIVPHBSA-N 489.685 5.291 30 20 JKED N#CCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccccc3Oc3cccc4ccccc34)sc2C1 1823827473 ZPAKEPWTWACNDQ-IBGZPJMESA-N 496.592 5.618 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824245916 BEVCQUGBRHVQAM-ZCYQVOJMSA-N 477.114 5.619 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824249189 PCEURGTZJSSXSN-OPXMRZJTSA-N 490.088 5.500 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)CC1 1824774315 RASYXWKJDAWKDW-HHHXNRCGSA-N 459.634 5.165 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC[C@@]23CN(Cc2ccccc2)C[C@H]3C)CC1 1824812653 VYIMKKHMDAILHA-RBQHBPOVSA-N 491.720 5.121 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC[C@H]3CNc4ccccc4C3)CC2)cc1 1826950312 DJVJGYQVDJRPIP-FUFSCUOVSA-N 498.671 5.051 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nccc3occc23)CC1)c1ccccc1 1827302485 SMNQOBLQZPWSOF-AZGAKELHSA-N 483.612 5.258 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1827875101 AYIHTFZPDFRYJF-MHZLTWQESA-N 478.596 5.167 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828151323 ANALFGUHPPGFPZ-NRFANRHFSA-N 463.956 5.266 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)c2[nH]1 1828208461 QBFLUFRSJYDERT-HHHXNRCGSA-N 482.628 5.214 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828357747 ZIYRURHJDRQPQO-NEQMZLFVSA-N 456.533 5.277 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(Br)cc2C)CC1 1828823226 QKHMOBCAUKYSLG-FCHUYYIVSA-N 488.470 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(-c3cccnc3)n2)CC1 1828824181 FNLITLPMSMVHFO-ISKFKSNPSA-N 478.662 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccc(C)cc2)CC1 1828827994 BFVBRBMVHSSENL-JWQCQUIFSA-N 454.680 5.475 30 20 JKED O=C(c1sc2ccccc2c1Cl)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828997439 DTMWSWHAKOZGQU-KQBIVOJMSA-N 498.048 5.500 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829136453 BLJPSDRVNVHKDN-FQEVSTJZSA-N 451.533 5.035 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829570189 IZTZQGPVEADIER-QPPBQGQZSA-N 489.616 5.048 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829621709 UIYNKWAOEJOPDS-MHZLTWQESA-N 479.624 5.253 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)cc3)CC2)cc1 1829785108 GTJQKPNXYRLIIJ-MHZLTWQESA-N 496.586 5.306 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1 1829945388 KQWHZLCHWCSNOG-LOSJGSFVSA-N 497.680 5.006 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1)c1cccs1 1829971369 YDPJBQJWHFPLPE-LCCNJJIFSA-N 471.022 5.074 30 20 JKED O=C(c1cccnc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601896 LGEAOUYUEPXOGQ-LJAQVGFWSA-N 477.608 5.029 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1830632137 ZQDZLMODVCRYGW-GDLZYMKVSA-N 492.623 5.362 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c1 1830904751 NBEXBQDBCKHTEQ-SANMLTNESA-N 469.585 5.171 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831031223 OARMIWYWJBCBSV-FQRUVTKNSA-N 476.617 5.072 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)CC1 1831302754 YBYPPSHFGVGOBC-RUZDIDTESA-N 484.681 5.249 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)c1Cl 1831787284 FMGNPHAHFMVHSG-SDHSZQHLSA-N 476.020 5.249 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1832027855 DNJPCQSMULJLNN-AREMUKBSSA-N 493.598 5.454 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)c3cccs3)CC2)c1 1832146473 AGKSSYLBRYTRTL-YOSAUDMPSA-N 463.647 5.412 30 20 JKED COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1C 1832633151 CWFVATYXZSATBJ-RLWLMLJZSA-N 473.617 5.178 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)C4(C#N)CCC4)CC3)ccc21 1832786059 PMQXZGRQWYOZCY-AREMUKBSSA-N 496.655 5.742 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1832920022 NCQUNXLHEBZKMX-ZEQRLZLVSA-N 489.701 5.068 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1837685348 NPGMIZHZDGPMPR-QDPGVEIFSA-N 466.666 5.009 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(Cl)cc(C)nc4c3)CC2)CC1 1838302422 JZYYFAGDEUNBPN-UHFFFAOYSA-N 496.051 5.002 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1838673671 DAYCNTDQJNVTKP-HXUWFJFHSA-N 494.035 5.202 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)C1 1845123085 ZTZFUHDNUKRPBG-FPOVZHCZSA-N 466.025 5.213 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(Br)c2)cc1 11089344 YUIPWGYCUMTSHA-UHFFFAOYSA-O 488.496 6.418 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccc(OC)cc1 21337187 GLXJQZAWNAWJFC-QGZVFWFLSA-N 464.591 5.098 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccccc1OC 21456174 KMZJKLJILBOODH-UHFFFAOYSA-N 483.808 5.831 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nnc1-c1ccc(F)cc1 22033639 ORMKLWWAFBFKFR-UHFFFAOYSA-N 470.879 5.673 30 20 JKED C=CCn1c(C)nnc1SCC(=O)Nc1scc(-c2ccc(C)cc2C)c1C(=O)OCC 22082553 RIQQJTYQKSAXBE-UHFFFAOYSA-N 470.620 5.025 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1[C@@H]1COc2ccccc2O1 23517749 XVRMVLQHVBMEGO-JTSKRJEESA-N 478.618 5.221 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 30548388 HENPMEQUYAXABF-CYBMUJFWSA-N 479.458 5.737 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 46861545 VQBRPDOECGWSAI-ZJSXRUAMSA-N 463.940 5.528 30 20 JKED Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 107647101 LBXMFLGKEFPAFV-QHCPKHFHSA-N 496.032 5.633 30 20 JKED CCN(C(=O)c1ccc(COc2cccc(Br)c2)o1)[C@H](C)c1ccc(C#N)cc1 107853464 UMXAHLCYVYZDSL-MRXNPFEDSA-N 453.336 5.716 30 20 JKED C[C@H](OC(=O)c1ccc2nc(Cl)ccc2c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 108761740 OGGVDYKQAJORTR-ZDUSSCGKSA-N 453.951 5.274 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 195621577 RSAPICFNEDUSNV-UHFFFAOYSA-N 455.901 5.466 30 20 JKED Cc1nc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)sc1SCC#N 195697450 QLEBEZHEFCRACP-UHFFFAOYSA-N 451.360 5.814 30 20 JKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl 195701012 MTJRTXFBHFIABU-GOSISDBHSA-N 457.961 6.146 30 20 JKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)CC1 491551361 QEWMCKIUYVDGST-HSZRJFAPSA-N 464.585 5.252 30 20 JKED CC[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1OCC(=O)N1CCCC1 498640992 WZXSXPVKXJTCQO-HHHXNRCGSA-N 497.595 5.020 30 20 JKED C[C@H](NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 499237464 NFRFLTWGGMNAIN-INIZCTEOSA-N 467.447 5.086 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl 499695512 FXUQHQHHZZUZFH-UHFFFAOYSA-N 450.970 5.119 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2C#N)nnc1-c1ccc(Cl)cc1 501020526 LQMTVRDDFOQOMJ-UHFFFAOYSA-N 489.988 5.575 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)cc1 501427566 XNUOAPHHNBTMEZ-VWLOTQADSA-N 467.569 5.131 30 20 JKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)co2)cc1 503363678 DFNAKGUFFBPPMO-UHFFFAOYSA-N 466.541 5.773 30 20 JKED CN(CCCNC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)CC(F)(F)F 504560628 IMOAGFIVYZEVLX-UHFFFAOYSA-N 494.411 5.103 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 510653226 ZXQPVPCNFHMRBO-UHFFFAOYSA-N 493.361 5.572 30 20 JKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511345148 YZLMCTMHSAKLRY-UHFFFAOYSA-N 456.546 5.051 30 20 JKED C=CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2scc(-c3cccs3)c2c1=O 511677793 QCFBYSXQEJDZJU-UHFFFAOYSA-N 469.569 5.256 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)s2)cc1 514767210 PNURMIZUTMAMNR-CVEARBPZSA-N 460.506 5.463 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 515442033 BOQDDSFVKMCKTN-QGZVFWFLSA-N 469.969 5.033 30 20 JKED N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1)c1nc2ccccc2n1C(F)F 515539404 RFLYISDHPMFLGD-GOSISDBHSA-N 457.436 6.247 30 20 JKED Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nnn1-c1ccc(OC(C)C)cc1 518739998 CLMDYXBNLALEGV-UHFFFAOYSA-N 469.570 5.314 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 519954465 QGLSERWFEBBWCN-OAQYLSRUSA-N 467.356 5.203 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)CC2)c2ccccc12 520889269 BYHSGJTUORFGMC-JOCHJYFZSA-N 496.394 5.388 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 521738744 AFZGVQKVQQVYBO-HLLBOEOZSA-N 453.530 5.125 30 20 JKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2cnn(Cc3cccs3)c2n1 524405238 IRWRZNWUKNGPDP-UHFFFAOYSA-N 493.592 5.861 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 524425923 IKZHFFWCWMBEEK-GOSISDBHSA-N 461.949 5.257 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 524582115 JXPWJAKRCAFXQQ-UHFFFAOYSA-N 462.363 5.255 30 20 JKED CC1(C)CN(CC2CN(C(=O)c3cn(CCCC#N)c4ccccc34)C2)c2cc(C3CC3)ccc21 569259771 COKJQBSTRAWOBK-UHFFFAOYSA-N 466.629 5.692 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc(OC(F)F)cc2)cc1 570178890 RNFRKQNOUPQGTQ-UHFFFAOYSA-N 451.473 5.297 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)cc1 589728563 YGVDLRISUPNRAV-HSZRJFAPSA-N 471.523 6.279 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(C4CC4)n3-c3ccccc3)c2C#N)C1 589939273 ALMQBLJOFKQXIO-HNNXBMFYSA-N 463.632 5.324 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 591137442 QIQCEBPXOXCLDH-JOCHJYFZSA-N 479.001 6.316 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)n1 598661973 QTCBWXFPLJPGER-OAHLLOKOSA-N 459.497 5.202 30 20 JKED COc1cc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)ccc1OC(F)F 598794840 NTQWTLFZNMCFSR-UHFFFAOYSA-N 454.498 5.592 30 20 JKED C[C@H](Nc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 602385681 HXJWZRKCUNPMFY-HNNXBMFYSA-N 464.616 5.642 30 20 JKED CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603622947 AAICAANUAUMVQZ-QWRLVCTISA-N 472.589 5.041 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1Cl 603759159 VLFMHZUZDKPCCJ-FQEVSTJZSA-N 478.936 5.915 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 604101799 APZVSUCBUDJPNB-UHFFFAOYSA-N 478.537 5.616 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC(F)F)cc1 604142503 PACASAQGKRKPMS-YCRPNKLZSA-N 483.902 5.413 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604456973 DDJADBTYQYCOJJ-QHCPKHFHSA-N 492.373 5.506 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C2CC2)cc1 608797471 RZAPYOKMYGSEKT-AREMUKBSSA-N 468.557 5.150 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)c2)c1 608940129 WXZHKPNVPVCCJJ-ICTDUYRTSA-N 492.579 5.223 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)c(C(F)(F)F)c1 608979076 XTXVJXGSIQURSQ-QGZVFWFLSA-N 462.415 5.512 30 20 JKED CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 609151738 UOJZDSAJIZRBIY-QHCPKHFHSA-N 466.368 5.666 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 609166796 NBMRMUBBLAOMAB-UHFFFAOYSA-N 461.521 6.188 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)CC2)c1 609185224 QTJQULLOPCMEPM-UHFFFAOYSA-N 468.582 5.215 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)c3ccco3)cc2)c1 609429489 DIXJWPSQOFNSAZ-VWLOTQADSA-N 463.493 5.149 30 20 JKED CCOC(=O)c1sc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c(C#N)c1C 611961310 GXXXYRGILIQRCJ-UHFFFAOYSA-N 475.979 5.355 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)no1 613346650 MWMZBAZDCNZWTC-INIZCTEOSA-N 485.352 5.877 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403890 HUBNQHSXYSMPDL-ZDUSSCGKSA-N 461.852 6.422 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc2cc(C(F)(F)F)ccc2s1 613404387 LICDVKFFVXGWTO-CQSZACIVSA-N 488.441 5.758 30 20 JKED C=CCn1c(SCC(=O)N(C(C)C)C2CCCC2)nnc1-c1ccc(Br)cc1 613937689 CZKHSBKBUJXAIK-UHFFFAOYSA-N 463.445 5.165 30 20 JKED C=CCn1c(SCc2nc(O)c3sccc3n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 650173531 KELOHHOYBLADJA-UHFFFAOYSA-N 496.614 5.761 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(CCc2ccccc2)C1=O 726421314 MDDNONBGCWBWPW-UKIVZVEXSA-N 493.654 5.389 30 20 JKED O=C(OCc1nnc(-c2c(Cl)cccc2Cl)o1)c1ccccc1N/C=C\C(=O)C(F)(F)F 726632535 DXXKPWBGJGWHOA-HJWRWDBZSA-N 486.233 5.457 30 20 JKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2c(-c3ccccc3)nc3ccccn23)cc1 727058031 COZZFADRZSQPCY-UHFFFAOYSA-N 467.554 5.248 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC2CCCC2)c(Br)s1 727652052 HEZHLPIZWHNVQM-UHFFFAOYSA-N 475.334 5.475 30 20 JKED CC(C)COC(=O)N1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 728121449 GXMIKYHYYQDQLY-UHFFFAOYSA-N 484.984 5.123 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 728766892 OQGPGFLJQGQNKM-SFHVURJKSA-N 460.361 5.217 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729144192 CFOFIINAINQNGN-TZIWHRDSSA-N 459.974 5.088 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)ccc1F 730478041 MCYJURXHPPLAPN-UHFFFAOYSA-N 461.493 5.876 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1F 730687471 VPDSDOCVABBPQK-AWEZNQCLSA-N 482.537 5.252 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@@H](C)c3cccnc3)C2=O)c1 730943249 AIXYJWLWVXWBDB-OFVILXPXSA-N 486.641 6.037 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1 731065095 VIRYUBHKIKVLQV-MRXNPFEDSA-N 479.583 5.190 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731070344 QBGLEFHHPMMDIP-ZDUSSCGKSA-N 457.602 5.227 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnc(-c2ccccc2F)s1 731075843 MHFUTTXEEWMROE-CQSZACIVSA-N 455.536 5.139 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731307561 UJWLRRKQKWOVAX-DHIUTWEWSA-N 493.535 5.318 30 20 JKED COC(=O)c1sc2[nH]c(/C(Cl)=C\c3cccc(OCc4ccccc4C#N)c3)nc(=O)c2c1C 731318733 KEMYGCMZMGJEFG-YBFXNURJSA-N 491.956 5.267 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)cc2)c1 731331799 QQWIOEKQDYMRRS-UHFFFAOYSA-N 481.961 5.041 30 20 JKED CC(=O)N(c1nc(C=NNc2ncnc3c2oc2ccccc23)cs1)c1ccc(F)cc1F 744788411 INYANNWYUVWZRQ-UHFFFAOYSA-N 464.457 5.241 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3cc(-c4cccs4)on3)n2)cc1 747114117 BULZHQZDQAGFCU-QGZVFWFLSA-N 467.597 5.645 30 20 JKED COc1ccc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 748584769 VKHMVELDLGVTPW-QCDXTXTGSA-N 474.469 5.035 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1 749182887 HBFLXURPNRTEPR-AREMUKBSSA-N 461.525 5.311 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 750687751 DIUZYQBRPVIXON-KWOQKUFVSA-N 462.594 5.499 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CSc3nnc(C)n3N)c2C#N)C(C)(C)C1 789857394 DSUMGPAHSWRHPI-WAYWQWQTSA-N 496.687 5.112 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 799214219 HSVXXVCERXZKIR-OAHLLOKOSA-N 459.852 5.002 30 20 JKED CC(C)Cn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccco1 807694908 LYRMTNKINHZHEZ-KRWDZBQOSA-N 463.588 5.286 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 837743709 FNMOLVOCOWDBTR-VFNWGFHPSA-N 466.513 5.081 30 20 JKED N#C[C@@H](C(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1)c1nc(-c2ccccc2)cs1 842222311 HEFISIMHAUZWEQ-QFIPXVFZSA-N 496.617 6.283 30 20 JKED O=C(Cc1noc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1)NC1CCCCC1 904243088 AEMABQUGCKVLNE-UHFFFAOYSA-N 453.358 5.017 30 20 JKED COc1ccc([C@H](CC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)NC(C)=O)cc1 915102898 KIRLMGCPAPJVPQ-RZBZKCQKSA-N 477.630 5.063 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 915103161 PXHPXIOEYANIOD-MRXNPFEDSA-N 461.370 5.943 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2n1C(F)F 915107398 SNCAYNMCNOCKGK-GHTZIAJQSA-N 492.913 5.822 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 915351596 FKJVEJGTFBZULN-SANMLTNESA-N 458.993 5.782 30 20 JKED N#Cc1c(NC(=O)COC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)sc2c1CCCCC2 915421109 NYTWEVPOTHTIQV-UHFFFAOYSA-N 498.992 5.097 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5ccc(-c6ccccc6)cc54)c23)cc1 915952181 OIDPTLHVPCUKQD-UHFFFAOYSA-N 477.549 5.802 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(C2CCCC2)C1=O 916208001 QSAJPHPJJYIUGU-QFIPXVFZSA-N 451.592 5.215 30 20 JKED CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916684289 WSFVDGWHNRTVLZ-XMMPIXPASA-N 455.949 5.845 30 20 JKED Cc1cc(OCCCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1Cl 916886687 JAINWPOZEXJCER-KRWDZBQOSA-N 452.910 5.470 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(F)c(F)c2)cc1 917612620 AJVRLOBBSHRCTJ-UHFFFAOYSA-O 450.534 5.745 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)SC1=S 917644175 APNALGXEZZPWSY-BKUYFWCQSA-N 475.982 5.870 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c(C)c1 917672524 PRAYUVJWXYQVQF-JOCHJYFZSA-N 494.020 5.216 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)c1 918330962 FEXGBIZBJGLBBQ-UHFFFAOYSA-N 496.336 5.775 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cc(Br)cs3)n2)cc1 918487550 PEEBCHLRLKLRKR-CQSZACIVSA-N 460.378 5.158 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)n(C2CCCC2)c1C 919216635 VZMVOBZSJMWZIO-FQEVSTJZSA-N 486.572 5.422 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 920010293 NQOMIICMAUGUHU-UHFFFAOYSA-N 458.905 5.433 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O 920169864 ILOXHTWPJQIBKP-HXUWFJFHSA-N 497.960 5.100 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](C)c2ccc(C)s2)C1=O 920170121 JRRJAKJEWRNGQH-HTAPYJJXSA-N 479.627 5.787 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2ccco2)C1=O 920171756 WWUSXVCZORWWBZ-NRFANRHFSA-N 491.569 5.064 30 20 JKED COc1ccc(C2(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CCOCC2)cc1 920324748 SZKZUDGRBMFZMJ-QGZVFWFLSA-N 460.477 5.248 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 920872483 USLZOHBBDBMVIK-KBMIEXCESA-N 474.992 5.715 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Br)cc(C(C)C)c3)C2)C1 1782073264 CCCJOLOCYQQVQF-VWLOTQADSA-N 491.470 5.008 30 20 JKED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCc2ccccc2)C1 1783206988 BLKKTZXILPGCQK-OGBYTVIASA-N 498.708 5.065 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5s4)cc3)CCC2)c1 1788415590 LHMDLYRJKOEACU-UHFFFAOYSA-N 471.538 5.436 30 20 JKED CC(F)(F)C(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649251 HFHIDYLXLDPZOE-VAWYXSNFSA-N 460.546 5.303 30 20 JKED COc1ccc2c(c1)CC[C@@H](CC(=O)Nc1ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc1)C2 1789166068 NOJJFQBKAPTTQL-RQQFFKHGSA-N 499.611 5.036 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)cc2)CCC1 1789213082 WFRKCCNCBDJREU-RDPSFJRHSA-N 495.664 5.392 30 20 JKED C[C@@H](Oc1cccnc1)C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508916 BXARKKCNJQXDRU-OAQYLSRUSA-N 477.681 5.034 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789628526 XKERROJELIUYOM-PTUXOGIPSA-N 495.664 5.511 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)CCC1 1789704962 HXODUGGCAGEMEB-QGZVFWFLSA-N 452.407 5.091 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)CCC1 1789783983 JCGBIPOGAJPIMC-UHFFFAOYSA-N 492.535 5.040 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncncc5c4)CCC3)cc2)c1Cl 1790083677 FTERURVIARJJII-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@]3(C)C[C@@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1790428117 UBXZJGORARNVHU-RKVCDUFXSA-N 469.626 5.026 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1790511509 OOBFLFGMUFVLAC-UHFFFAOYSA-N 479.964 5.078 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccsc5[nH]4)CCC3)cc2)c1 1790766873 OGDSRGAJMLKOOX-UHFFFAOYSA-N 458.518 5.302 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(Cl)c(Cl)cc3F)cc2)CCC1 1792175146 YAQBPXUKXSZRMF-XODNFHPESA-N 488.346 5.592 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(Cl)c(C)c2)[nH]n1 1796368922 GEIOWQICOUMPRM-PLACYPQZSA-N 467.013 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(Cl)cn3)cc1)C2 1798593175 ZAWFRAGCNQXOMO-KOUNCHBCSA-N 482.024 5.772 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 1800618516 WXVNKDXUOHCYRR-NUNAXRQHSA-N 470.617 5.474 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cccnc3SCc3ccccc3)[C@@H]2c2cccnc2)C1 1802418529 UABWLAWMURBXTP-JYFHCDHNSA-N 498.652 5.055 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)[C@@H]1c1cccnc1 1802494022 AKNOGDODTUNEJR-ZEQKJWHPSA-N 492.639 5.133 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1803089182 QVINQQAGAHLPSB-PXDATVDWSA-N 463.647 5.110 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803224649 LCESZBUGGATHLY-YGPDHOBYSA-N 498.067 5.163 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810588147 FVHATMNCRASYOZ-BVAGGSTKSA-N 496.051 5.610 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 1811923865 IHOQWWIBOIGHEH-BLFHIAQRSA-N 487.003 5.038 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812590594 MERNKSVHAFHNEI-LEEZEASISA-N 466.025 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1813957004 ISMCFQDOGYJXBQ-NFBKMPQASA-N 487.566 5.721 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813964487 PUAUJWJTPQPMFV-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)[nH]n1 1814441487 KTXDDRXJEFTUNE-IBGZPJMESA-N 499.612 5.648 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)[nH]n1 1814444203 XWUUYESWTNSRMY-HXUWFJFHSA-N 468.598 5.034 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1814738809 OWASSUKJZHOMTL-OSVJCPFSSA-N 493.567 5.366 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1814828474 BMBHMNDQXWQDKI-NSFRLNINSA-N 458.562 5.630 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(F)cc3Cl)n[nH]2)c1 1815579246 XZEXMLONNHCJNK-HJPURHCSSA-N 493.970 5.378 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)c1 1815984597 GVVMRZRCUUOBML-XAPCMULXSA-N 459.575 5.118 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1 1818116837 KWVKAGHZLMPOSV-LNGOBCTCSA-N 466.607 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)[nH]2)n[nH]1 1819634904 XBKPTVRIQCMPIF-MRXNPFEDSA-N 451.493 5.055 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)c1 1820470489 RPKDAMQHZINCEH-OPAMFIHVSA-N 495.505 5.675 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1820655257 VSZSDUIXYRRYMW-LJQANCHMSA-N 498.370 5.216 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccccc3Br)CC2)n[nH]1 1820946431 KVIZSISCMHNODF-JXFKEZNVSA-N 485.426 5.108 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)ON=C(C)C)n[nH]2)c1 1820972384 MWEAOQOTFOUAFS-HYBUGGRVSA-N 481.641 5.178 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)CC1 1820977942 AILRUBWMKJYSGT-QHCPKHFHSA-N 461.610 5.388 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)n[nH]2)CCC1 1821048929 UNSBVTRKPXBQQO-QHCPKHFHSA-N 469.545 5.202 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)cc1 1821180075 UANVSQLOBLYUNP-OAQYLSRUSA-N 481.478 5.114 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cc(C#N)ccc4F)n[nH]3)cc12 1821271986 TVJBGKDYQXNOFM-GOSISDBHSA-N 494.577 5.020 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)s1 1821309048 UTICJBWDDRBCHQ-SFHVURJKSA-N 487.507 5.290 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)[nH]n2)c1 1821322192 RKIWTXZAPYSKGN-VWLOTQADSA-N 496.546 5.344 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821611267 PDPKNHFPRCAFFP-KBXCAEBGSA-N 467.551 5.051 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)[nH]n1 1821986367 SYOSYTWFOAPDHT-LJQANCHMSA-N 472.536 5.031 30 20 JKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(OC)cc3C#N)[nH]n2)CC1 1822101590 VRTQYDKACBKZLG-RLSLOFABSA-N 491.636 5.131 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)cc2Cl)n[nH]1 1822310067 RKHMEFHPTHLQEG-SDNYCIMKSA-N 468.985 5.243 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc(Br)c3)CCCC2)[nH]n1 1822403616 JRJHYIYJZZLGCX-FQEVSTJZSA-N 485.426 5.252 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)[nH]n2)cc1C#N 1823290803 DZTIHXIJZRBVJJ-OAQYLSRUSA-N 499.562 5.200 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2ccccc2C#N)n[nH]1)c1ccccc1 1823386257 AVHLKJULAMNROL-MUXSNRJPSA-N 499.615 5.182 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1Cl 1823907136 VIQQFOLOMOSTEI-CZQLGGELSA-N 485.049 5.382 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1824002694 CRNVNINRSGBRNL-LJQANCHMSA-N 473.828 5.221 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cnc4ccccc4c3)CC2)c1 1824045868 HIWAEOKZOZCHND-NDEPHWFRSA-N 498.602 5.112 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(C)oc2C(F)(F)F)CC1 1824141443 QXHXANGUDAKWGF-IBGZPJMESA-N 467.532 5.004 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1824499638 YTTSTSWODCIYET-OAQYLSRUSA-N 490.069 5.166 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CC1 1826682796 ANFQETHINUOJBL-VWLOTQADSA-N 477.555 5.169 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827855610 AHOLJRSOCPLPCK-FQEVSTJZSA-N 452.517 5.034 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1)c1ccccc1 1828204753 LRUPUIQOFCBZNN-IHLOFXLRSA-N 493.651 5.665 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828553451 QVENOHCCLIGTGZ-XMSQKQJNSA-N 491.682 6.137 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828683355 DLSXWIJGTCFCAS-QHCPKHFHSA-N 469.029 5.218 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1828821077 IJUZQUGGKRHEPX-ZSTXGWIISA-N 468.604 5.743 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 1828824668 NYOOCXDRDMGTIY-BDYUSTAISA-N 461.650 5.109 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 1828826799 MGWZHOGSNAAWGE-IRLDBZIGSA-N 467.635 5.405 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccnc2Cl)CC1 1828903813 HAJMZLUEZDJVAX-OAQYLSRUSA-N 492.111 5.159 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2N)CC1)c1ccccc1 1829032360 IMBRGFHTOPSEKV-MLEVXUHISA-N 483.656 5.099 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CCC)NC(=O)c2ccccc2)CC1 1829068132 GQPILKSBIAOMLK-IZZNHLLZSA-N 495.708 5.197 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)CC1 1830351617 OSPHXZUQJHXYMQ-XMMPIXPASA-N 493.648 5.163 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCCCC2)CC1 1830358873 QPSIQRMVEZZWGH-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830407302 GTFARAVWNWVGHU-WIOPSUGQSA-N 496.758 5.243 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830408896 BJQJPGQZTABGFB-JRWCXLMHSA-N 491.676 5.802 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1830413818 GRUNTHZDVREBEY-XLIONFOSSA-N 490.069 5.589 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C1 1830491971 HVWNHFXNYWIHFX-HHHXNRCGSA-N 458.602 5.678 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1830605732 JNCQYYLJZZKVEP-DEOSSOPVSA-N 480.008 5.157 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058613 BWLNNTXMRIWGSF-SANMLTNESA-N 488.628 5.802 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1)C(F)(F)F 1831452592 KISGTTBLKHGGDG-QFIPXVFZSA-N 493.957 5.548 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1)C(F)(F)F 1831453244 XQTVGUIRCUMKSP-QHCPKHFHSA-N 487.566 5.258 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2N2CCCCC2)CC1 1832029981 ATSWQBVLUWUZMX-AREMUKBSSA-N 463.666 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)c1 1832631709 HDZWMZPPGACMGS-FNZWTVRRSA-N 468.601 5.342 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2SCc2ccccc2)CC1 1832827044 MLMMFPSAWKXMTQ-RUZDIDTESA-N 475.658 5.021 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(Cl)c3OCc3ccccc3)CC2)CC1 1838537978 ULILTYRYYDFWKE-UHFFFAOYSA-N 497.035 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1844202857 GJGVVDDKPZKKOH-HXUWFJFHSA-N 459.615 5.482 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)C2)c1 1845538064 PJIUFCNZHBPZHJ-UHFFFAOYSA-N 486.399 5.092 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1-c1ccc2ccccc2c1 1847531061 LMENHQUOEIFNNQ-SVBPBHIXSA-N 465.597 5.486 30 20 JKED CC(C)Cn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1Cl 9847682 MXNMXHBLYDMAGE-OAHLLOKOSA-N 480.465 5.731 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 10173261 HAQOQORMRHDFHX-UHFFFAOYSA-O 478.638 5.362 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1Cl 15125432 FIIRHRZXLQFEHD-UHFFFAOYSA-N 474.373 5.101 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cc(OC)c(O)c([N+](=O)[O-])c1)C(=O)c1ccccc1 18064919 HGZJEIJQJQXCAK-KGENOOAVSA-N 474.513 5.339 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc4n3CCCCC4)c2C#N)C1 21373259 XFQNTHISEKODCI-OAHLLOKOSA-N 457.669 5.210 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 21729960 PWEOSMWLBMABHN-RUZDIDTESA-N 465.623 5.030 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2cccc(C(F)(F)F)c2)[n+]2ccc(N(C)C)cc2)s1 22693612 FAIKATQYEBORBS-UHFFFAOYSA-O 464.558 5.480 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 22728722 ABZKDVIZDOQDSL-UHFFFAOYSA-O 450.540 5.071 30 20 JKED N#CCC[C@@H](C#N)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3 24095785 MXSKEAZNTHSMPL-AWEZNQCLSA-N 455.008 5.515 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 26036782 CKUWWMKJLQLTLK-UHFFFAOYSA-N 461.012 5.056 30 20 JKED C[C@@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 26997993 KBUQPMSMUATSDR-CQSZACIVSA-N 499.065 5.062 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(SC(F)F)cc2)c1 28781507 YWGUWFLFCFBXLW-UHFFFAOYSA-O 488.561 5.865 30 20 JKED CCCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc2sc(C)c(C)c2c1=O 36817660 ODWWMUJRKKBRQW-SFHVURJKSA-N 468.648 5.302 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 72053577 VTYQMDAUVHWFOB-UHFFFAOYSA-N 456.398 6.237 30 20 JKED C=CCn1c(SCc2nccn2CC(F)(F)F)nc2cc(-c3ccccc3)sc2c1=O 116787563 DRSRBRNKSFDWAG-UHFFFAOYSA-N 462.522 5.362 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1F 195569236 LOAHKYWPNGUVAX-SFHVURJKSA-N 458.562 6.057 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1Cl 255936003 CVKQCHOGOAMEHW-UHFFFAOYSA-N 481.368 5.239 30 20 JKED N#C[C@H](C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 303291489 MNAZLRPURBLZIP-JOCHJYFZSA-N 493.009 5.927 30 20 JKED COc1ccc(CSc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)cc1 480461975 RFZFEPRNOJEDMV-HNNXBMFYSA-N 488.635 5.406 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)cn1 486579097 JOFIEYQNHCRPFK-UHFFFAOYSA-N 460.559 5.069 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)c2C#N)C1 487392596 ZOGIPOPMJPHGJG-ZDUSSCGKSA-N 468.604 5.254 30 20 JKED C=CCc1cc(CNC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc(OC)c1OC 497340652 URSJZFNZBBRMBF-UHFFFAOYSA-N 485.005 5.638 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)n1 501418811 JJKDQRPDYVYYEV-UHFFFAOYSA-N 470.554 5.568 30 20 JKED C=CCNc1nnc(SCC(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)s1 505047333 DPMQCUTUZQTYNA-UHFFFAOYSA-N 467.645 5.380 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507904467 VEECVIKMDOZPCB-RUZDIDTESA-N 466.541 5.154 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)nn1-c1c(Cl)cccc1Cl 510310020 IMLHWXRAGOKUJG-LBPRGKRZSA-N 468.266 5.601 30 20 JKED Cc1nc2ccccc2n1CCCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511318885 HHTYTSULBREYAM-UHFFFAOYSA-N 453.546 5.202 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1 511416518 TYDMQFHAIPSVSK-MUUNZHRXSA-N 465.528 6.382 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1nc(O)c2c3c(sc2n1)CCCC3 513653996 INNZWTZFNWVIAJ-HNNXBMFYSA-N 465.987 6.148 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1nc(-c2ccccc2)cs1 516072818 DYRUTPAPFMXLOD-IBGZPJMESA-N 497.567 5.483 30 20 JKED Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)cc1 517455321 BJAZEOMKPBCBJI-NRFANRHFSA-N 493.654 5.471 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 517465038 SKOKWLBWXMWRND-DENIHFKCSA-N 482.609 5.306 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 517466795 JJWWTDOYHCMKOU-OAQYLSRUSA-N 497.542 5.750 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1 517477380 NUSMIVINLWTUCI-UHFFFAOYSA-N 494.414 5.372 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2Oc2cccc(Br)c2)n1 517915384 DXBIAOAFKMWJQA-INIZCTEOSA-N 471.332 5.365 30 20 JKED CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 518159160 XPOGLDFJOPGPEG-GOSISDBHSA-N 463.525 5.206 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 519442118 YJKIBMODXMEZDU-KGLIPLIRSA-N 450.391 5.104 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 520129631 CPTLECWESWQFCK-UHFFFAOYSA-N 485.481 6.359 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1c(F)cccc1F 520513746 PMEJFKYXOAYHAL-WMZHIEFXSA-N 467.903 5.480 30 20 JKED N#Cc1cc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)ccc1F 520810956 RTEIQSGUUCQLRR-UHFFFAOYSA-N 459.737 5.140 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCCNC(=O)c3ccccc3Cl)cc2Cl)cc1 521186924 JZEFKHCRYSKVQZ-UHFFFAOYSA-N 469.328 5.209 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)cc2)cc1 521365874 DVBVUGVATPZREC-GOSISDBHSA-N 475.936 5.282 30 20 JKED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 521692616 VRKPHRBGAKTLPS-QFIPXVFZSA-N 482.962 5.869 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)cc1 522366284 HSNNLMUGIPAWNE-RTFZILSDSA-N 480.996 5.060 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCc3c(Br)cccc32)cc1 524367957 YUTIHOCVLBUJDI-XMMPIXPASA-N 476.374 5.903 30 20 JKED Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 524599385 GJKGTCFMINAMSS-UHFFFAOYSA-N 479.334 5.182 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OC(F)F 603693546 YLCCNBGCDNIYPY-UHFFFAOYSA-N 454.433 5.019 30 20 JKED Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccccc3-c3ccccc3C#N)c2)cc1 603761379 CLRUZKSSZVJSNE-UHFFFAOYSA-N 459.549 5.394 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 603831552 WBSFZIALRIUNAL-OAQYLSRUSA-N 466.541 5.884 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 604329456 ORNYUHNABSSVJA-HDICACEKSA-N 456.386 5.340 30 20 JKED CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604522924 XPVBDLYAFLNTBK-RWUBSVTLSA-N 474.004 6.627 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1 608805877 PEHRGQYPOITVNO-UHFFFAOYSA-N 485.367 5.515 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 608915468 ODZFHGUEXSHHRE-UHFFFAOYSA-N 489.416 5.883 30 20 JKED COc1cc([C@H](C#N)NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)cc(OC)c1OC 609008357 ZFQOLQLFQVYVJY-FQEVSTJZSA-N 493.629 5.586 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(COc4ccc(C#N)cc4)o3)c2)cc1 609058391 PPABHAKMIWIVRA-UHFFFAOYSA-N 465.509 5.221 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609072319 IQVRTKKZWFKZOW-UHFFFAOYSA-N 456.546 5.158 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)C(C)(C)C 609085462 FKNRWYUTAYUCLF-RUZDIDTESA-N 455.558 5.288 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1Cl 609163960 DOSLUENTNMFLLY-UGKGYDQZSA-N 490.966 6.017 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(=O)n(Cc4ccc(Cl)c(Cl)c4)c3)CC2)c1 609207757 JUQZWICKRWILGC-UHFFFAOYSA-N 497.382 5.150 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)O[C@@H](C)C2 609326879 VLCAJUAEVIUABJ-JFJYTDJESA-N 455.514 5.210 30 20 JKED Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378341 FRRMKGRJIMZRPQ-UHFFFAOYSA-N 499.580 5.349 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nc(N2CCCC2)ncc1Cl 609378409 GWEJSKLXQAQFKW-UHFFFAOYSA-N 455.893 5.007 30 20 JKED CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)cc1 609404728 PADNUHXEWZBSAI-UQBPGWFLSA-N 473.598 5.181 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 609434500 RNBYYFMALQWFCL-IBGZPJMESA-N 492.601 5.264 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)c(Cl)c1 609438158 DPHOXYMAUCQKNI-KBXCAEBGSA-N 464.418 5.984 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 613908658 XJPZGBNVAQYLGE-KRWDZBQOSA-N 497.020 5.754 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 620304148 FGRMSIMCMSFUSY-HNNXBMFYSA-N 485.512 6.061 30 20 JKED O=C(c1ccc(C(F)(F)F)cn1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516494 GOKMYUTVWKNVOT-OAHLLOKOSA-N 472.307 5.352 30 20 JKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518245 YYTVGRYNUYHWRE-ZWKOTPCHSA-N 499.373 6.360 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2ccc(-c3cccc(Br)c3)o2)cc1 725826109 NBNNJFOCMNJUCE-UHFFFAOYSA-N 473.783 6.129 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3c(F)cccc3F)n2)ccc1Cl 726218435 OEPDCNOWYIILSA-UHFFFAOYSA-N 475.904 5.154 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC(C)C)cc1 726416436 WFUWEILRZVYHIG-IBGZPJMESA-N 479.524 5.473 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccn1)c1cccs1 726422616 XPBZYTXDIBIFEK-GLRHSTFPSA-N 486.569 5.011 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2OC)cc1 726570599 HAUOSHWRIXUJHV-UHFFFAOYSA-O 450.971 5.393 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2CC)c1 726572764 NDFDOSVNDLPIKR-UHFFFAOYSA-O 454.402 6.148 30 20 JKED Cn1c([C@H](C#N)C(=O)CCCCCc2ccc(I)cc2)nc2ccccc21 726858814 PRPHRSHMMKKEQC-GOSISDBHSA-N 471.342 5.157 30 20 JKED O=C1/C(=C\c2nccn2CC(F)(F)F)CC(c2ccccc2)C/C1=C\c1nccn1CC(F)(F)F 727744785 KTDDBICVOHMQJA-MGYAYREDSA-N 494.439 5.818 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(C)[C@@H]2CCSc3ccc(Br)cc32)c1=S 728909272 MGVZXWSXMOHCPY-GOSISDBHSA-N 488.480 5.551 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1scnc1C 729141945 GCRMTSXROJKPKS-IBGZPJMESA-N 482.606 5.368 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)c1 729142782 LCQYDOGTXQRCKN-OAQYLSRUSA-N 489.626 5.101 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 729145621 MOIKCCCBSULNRF-GOSISDBHSA-N 471.007 5.265 30 20 JKED CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3n2CC#N)c2c[nH]c3ccccc23)cc1 729300670 XPOQTHFHNREWEN-XMMPIXPASA-N 461.569 5.274 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccccn2)c1 730528040 PYAYDMDDAPHINP-HSZRJFAPSA-N 458.587 5.113 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2cocn2)C1=O 730710429 KXESRSZQRRRTLB-HXUWFJFHSA-N 498.992 5.114 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ccc3[nH]c(C)c(C)c3c2)cc1 730720750 UZCPYMRMXHDCBI-HSZRJFAPSA-N 498.612 5.044 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c3c2CCC3)cc1 730921030 UDZSUKOUCZLBOV-FQEVSTJZSA-N 480.540 5.199 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2sccc2-c2ccc(F)cc2)nc1C 731224623 DORLSKAZCMSUBO-UHFFFAOYSA-N 457.581 5.305 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cscn2)cc1 731307008 ZFGFYWKLVTVCSE-JOCHJYFZSA-N 494.642 5.352 30 20 JKED Cc1cc(C)n(-c2nncn2N=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)n1 744747374 KWGOAMGLHHXZPA-UHFFFAOYSA-N 484.567 5.483 30 20 JKED CC(=NNc1nc2ccccc2c(=O)n1-c1cccc(C)c1C)c1sc(-c2cccnc2)nc1C 747611002 HXIGOZSAZLRGKL-UHFFFAOYSA-N 480.597 5.666 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 750390989 DLXJJXSJVIXZRE-GOSISDBHSA-N 495.536 5.272 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1 750394574 IFJQPZVAFBNWHQ-VGOFRKELSA-N 469.570 5.470 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1cn(Cc2ccccc2)c2ccccc12 767314429 OGQFGXUQRYARPW-UHFFFAOYSA-N 457.331 5.044 30 20 JKED N#C[C@@H](C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1)c1nc(-c2ccccc2)cs1 807962264 UBOGOFXVTNLJQK-FQEVSTJZSA-N 486.622 5.604 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccccn1 837285561 OYIQLFHJVBMYOY-AVRDEDQJSA-N 476.577 5.559 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 912828422 MFBQXDFLMSTZFN-UHFFFAOYSA-N 495.605 5.538 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913119875 YPNLYVUJHKZQAT-LJQANCHMSA-N 491.400 5.098 30 20 JKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 914773469 VELRBXPXOJLOJH-UHFFFAOYSA-N 476.581 6.207 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 914838857 PPQBLAZMMNKHIF-UHFFFAOYSA-N 487.991 5.596 30 20 JKED Cc1csc([C@@H](C#N)C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)n1 915100146 JTOXECRREWMQGO-ZFWWWQNUSA-N 466.613 5.327 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CC2CCC2)C1=O 915111165 JZWNBBOVUZGCIC-FQEVSTJZSA-N 457.983 5.109 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(-n3ccnc3)c2)ccc1Cl 915673150 MJSCPEZDLYUGSL-UHFFFAOYSA-N 492.988 5.159 30 20 JKED CCCCC/C(C=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C/c1ccccc1 915925175 CTZHMSURDGKVES-ILPFIWIPSA-N 461.635 5.421 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916128241 QKQWQOSUSAMHHN-XVNBXDOJSA-N 497.450 5.613 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 916211879 GGXPLIUAFLAXIL-LJQANCHMSA-N 494.444 5.689 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cn(CCC#N)nc2-c2ccccc2)cc1 916321383 XJNDRFUSDMRTEN-UHFFFAOYSA-N 485.617 5.103 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)c2)cc1 916449575 GOLJEPMZBZHJCQ-UHFFFAOYSA-N 466.291 5.255 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1OC 916505159 VBAJFEDGCUCQJL-GXDHUFHOSA-N 460.505 5.232 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2c(s1)-c1ccccc1CC2 916901396 HAWMCMJULKVXMD-QGZVFWFLSA-N 450.947 5.445 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)cc1 916950512 UMFCADIARKLXAR-AVRDEDQJSA-N 475.618 5.227 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccc(OC)c(Br)c2)cc1 916951194 XUESVQJALWLDAD-KXBFYZLASA-N 457.368 5.251 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 916955967 WEXPFEXUAMVLIE-YCRPNKLZSA-N 451.979 5.867 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl 917506765 GYTNRLLAUMIOTN-NSHDSACASA-N 463.342 5.535 30 20 JKED CCc1c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)oc2ccccc12 917559680 MRGJQPFEBPXZLL-RAXLEYEMSA-N 450.947 6.686 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cs1 917561375 DOTMRXGSIGJIKM-YFHOEESVSA-N 450.869 6.396 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccsc2)c1 917666210 GFFJZUSTRCLFAL-NRFANRHFSA-N 465.600 5.226 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2Cl)n1 917676529 SHDBCMPVNBTWFS-NRFANRHFSA-N 482.968 5.343 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3ccccc3c2)n1 917699719 BIWQAROACQEYCE-DEOSSOPVSA-N 481.581 5.099 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCN(C3CC3)CC2)C1=O)Nc1ccccc1 917700152 ILZFERDMDHDIOP-SANMLTNESA-N 498.652 5.427 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)N(CCC#N)c4cccc(C)c4C)cc3)o2)cc1 918916792 HALXDMBZNZGGLY-UHFFFAOYSA-N 494.551 5.433 30 20 JKED CC(=O)N(c1nc(/C=C2\COc3c(Br)cccc3C2=O)cs1)c1ccc(F)cc1F 920066844 MKFASYUQTADBOI-KPKJPENVSA-N 491.313 5.527 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 920110945 WYGFOJXWEKNTGJ-BONVTDFDSA-N 485.154 5.001 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc(-c3ccc(C#N)cc3)cs1)O[C@@H](C)C2 920140507 HQCWOFUOGZMCBM-XMMKQVRFSA-N 455.539 5.294 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N([C@H](C)c2ccc(C)s2)C1=O 920170492 ZXVZTSWBRQNIKS-RHSMWYFYSA-N 450.029 5.156 30 20 JKED CCC1CC(=O)C(=CNc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2Cl)C(=O)C1 920974219 DGVKAUSMVHGJIX-UHFFFAOYSA-N 467.374 5.048 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1562433207 ULPHCYYQPJNARU-UHFFFAOYSA-N 457.465 5.192 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(Br)c4ccccc34)CCO2)C1 1779242441 ZOOHRJSFBOXVBP-AREMUKBSSA-N 499.449 5.038 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)Cc4ccc5ncccc5c4)CCC3)cc2)cc1 1785880573 DYLQJOQQFNVJJJ-UHFFFAOYSA-N 474.564 5.026 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C(F)(F)F)cn3)CCC2)cc1 1786390945 FGOCNRCAFGDUIW-OAQYLSRUSA-N 479.568 5.122 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cccc4s3)CCC2)cc1 1788028521 GGFUPJGUJIPYJA-UHFFFAOYSA-N 495.048 5.584 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3-c3ccccc3)cc2)CCC1 1788673037 JSUCVPRPAAFRKS-IBGZPJMESA-N 474.561 5.199 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccnc5ccccc45)cc3)CCC2)ccc1F 1788891219 UCTQINCPNGKHGY-UHFFFAOYSA-N 478.527 5.236 30 20 JKED C[C@H]1CCc2c(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5Cl)CCC4)cc3)n[nH]c21 1789009891 MMZDCIUWACWGBJ-HNNXBMFYSA-N 473.964 5.046 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)ccc5[nH]4)cc3)CCC2)ccc1F 1789233492 VFSGXIJWKXQACD-UHFFFAOYSA-N 484.506 5.308 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@](C)(NC(C)=O)c3ccccc3F)CCC2)cc1 1789456002 IGSOLZDKSVKMBF-QDPGVEIFSA-N 491.607 5.080 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)cs1 1789508754 GUVXHHJLLVLASE-UHFFFAOYSA-N 453.684 5.250 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5c(F)c(F)ccc5c4)CCC3)cc2)cc1 1790290094 FIHITXFCEOYMRS-UHFFFAOYSA-N 482.490 5.446 30 20 JKED CCN(CC)[C@@H](C(=O)NC1(c2ccc(NC(=O)[C@H](C)ON=C(C)C)cc2)CCC1)c1ccccc1 1790567227 JFWHXUHWPXSMRT-SQJMNOBHSA-N 478.637 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCCOC4=O)cc3)cc2)CCC1 1790800900 BPSXXTQOSMAXDW-RUZDIDTESA-N 487.600 5.549 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791007733 HYNROVMQBLWEDQ-UHFFFAOYSA-N 494.595 5.616 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)CCC(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1791255805 HOCSJKLPOYUIBZ-JOCHJYFZSA-N 471.642 5.416 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)cc3Cl)CCC2)cc1)C(F)(F)F 1791305896 XZSHHPXCYQRBCC-UHFFFAOYSA-N 452.860 5.215 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3Cl)CCC2)cc1 1791583472 CUACROPFWRHRGS-UHFFFAOYSA-N 474.786 5.049 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1791727820 ALDYFXHVHFKRCK-MPYJOUPCSA-N 469.629 5.692 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4Cl)CCC3)cc2)c1 1792122392 PGRKDFSJJFBENT-QGZVFWFLSA-N 458.949 5.424 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ncccc45)CCC3)cc2)c1 1792123924 HXZUOQLQEDUFAH-HXUWFJFHSA-N 491.595 5.570 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(C(F)(F)F)CC1)c1cccc(C(F)(F)F)c1F 1793923923 MBHZEULLMMOOJK-VXSNREPFSA-N 494.451 5.465 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(C)cc2)c1)c1ccc(O)cc1 1794591404 JLFPQJMHEOVWCJ-HDLKCZAISA-N 495.623 5.145 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn(-c3ccccc3)c3ncccc13)C2 1798331624 SMUFSDNHIULZKY-GNLZIIPMSA-N 468.601 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(ccc4ncccc43)s1)C2 1798333792 HNANEUDFTVAETD-YRPNKDGESA-N 459.615 5.470 30 20 JKED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sc4ccccc4c2Cl)C3)c1 1799284091 CPJOMTNJSDIYEA-BCDXTJNWSA-N 479.989 5.001 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc2cnccc2c1 1800504792 PFYKYCRKQRVVQO-RLPLKTQASA-N 485.587 5.200 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1802502677 LEOJOCLPZNRVTB-VGOFRKELSA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1803079942 STSDSRZCGUYFKQ-SHQCIBLASA-N 463.597 5.018 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@H]1c1cccnc1 1803086891 PALNOCMNNXTPMG-WAFQHWAMSA-N 498.627 5.059 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)c(C#N)c1)c1ccccc1 1803840847 HPSINGPDJPGXED-RDHZPSIESA-N 487.644 5.427 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803999356 DKPNMJCPDNXHFG-NDTKEOHJSA-N 497.561 5.588 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC3(CCCN(C(=O)CCc4ccc(C#N)cc4)C3)CC2)cc1 1804762305 KZDPUJRABCNHTO-UHFFFAOYSA-N 471.645 5.088 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)[C@@](C)(OC)c3cccc4ccccc34)C2)CC1)C(F)(F)F 1804801444 PXMDGRJWYXVBBS-VWLOTQADSA-N 488.550 5.051 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3cccc(OC)c3)CC2)C1 1805454877 ITMRAZDSKYLCPO-UHFFFAOYSA-N 487.644 5.370 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)CC3CCC(C)(C)CC3)[C@@H]2c2cccnc2)c1 1808901571 LOOHVKQXAUXOME-LARUCZGFSA-N 486.660 5.635 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1809278403 MZJWCFGHENYKDB-NOTUOJBMSA-N 468.601 5.026 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809445417 MXWSETFUJRVEJU-HOYKHHGWSA-N 466.006 5.073 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1809464017 TZJSUNNVXPFNHG-RDGATRHJSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810175667 XAHXVDWOLFBSGK-TUACAJSNSA-N 496.533 5.060 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cccnc4C(C)(C)C)C3)CC2)c1 1810303409 VGWATRHKVDEQHA-OAQYLSRUSA-N 472.633 5.165 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc4occ(Cl)c4c3)[C@@H]2c2cccnc2)cc1 1811359603 CXEZHMVUSWFTDI-ATIYNZHBSA-N 498.970 5.181 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1811705147 RSSSZICBTDOZGE-SQJMNOBHSA-N 482.100 5.106 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)[C@H]1c1cccnc1 1812592649 YFKJWNPSQZEHCY-HQQGYVGFSA-N 492.623 5.533 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1812592781 TXNPFHGVWKJLPB-WDUKFBBWSA-N 480.823 5.574 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1812986794 OYUXTKSCKNVVDI-SQJMNOBHSA-N 498.092 5.172 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)[nH]n1 1814441596 NZNWPIYMRHCBFF-JOCHJYFZSA-N 460.582 5.098 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1814731244 JNEACDNTSGJAPM-MHPIHPPYSA-N 485.588 5.155 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1 1815847408 ZIBWANDDCOXHOT-UONOGXRCSA-N 487.050 5.400 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817211860 FDUICFFAKDSUJJ-IFPZXYOKSA-N 489.664 5.772 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817773639 MPEZROXKMREXIS-XMMPIXPASA-N 465.557 5.507 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)[nH]c2c(Cl)cccc12 1817946359 SSHHTYLEWMZNRB-NRFANRHFSA-N 486.963 5.344 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)noc2-c2ccccc2)n[nH]1 1818142522 SWFZRHXAJQVBQL-JOCHJYFZSA-N 473.577 5.447 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165480 YGVGOJHTHUGKTL-IBGZPJMESA-N 450.926 5.042 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(F)(F)F)c[nH]2)n[nH]1 1818207806 CDICOOXIBKLYDU-QGZVFWFLSA-N 451.493 5.055 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCCC[C@@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818940941 GVNHVGLXYNYCEK-OAHLLOKOSA-N 492.395 5.216 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)[nH]n1 1819303857 QSMJMKKCSSONRV-CVDCTZTESA-N 494.546 5.152 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)[nH]n1 1819308163 XDKUJAXAOSDGLQ-PXDATVDWSA-N 469.589 5.546 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)[nH]n1 1819309492 CEMVGLGQLKXMEN-TZIWHRDSSA-N 471.001 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)nc2F)[nH]n1 1819553174 YHQFMPXVXYTHRP-INIZCTEOSA-N 492.393 5.005 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cccs3)on2)n[nH]1 1819788743 YASCOTPWNZVLPX-LPHOPBHVSA-N 465.579 5.201 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821027153 RUQGRMMAVBXCIR-IBGZPJMESA-N 477.030 5.075 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)[nH]n2)cc1 1821749196 KIKWGVCTYROEQM-GZTIXLHPSA-N 483.572 5.008 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1821925075 MKNVFUIAEOJQRO-UGSOOPFHSA-N 452.452 5.086 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)Cc2ccco2)n[nH]1)c1ccccc1 1822844032 GNMKGYAUQPHORA-JHMXWDHMSA-N 472.589 5.071 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)ccn3)[nH]n2)c1 1823218346 QQQCBPREXKTIOJ-YCRPNKLZSA-N 496.493 5.070 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)n[nH]2)cc1 1823299954 XLGXTDVIDAUOGA-NRFANRHFSA-N 499.468 5.253 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1 1823381727 HUJPSDDFXJBHQW-JOCHJYFZSA-N 499.656 5.170 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1 1824143028 GCFLAWDZWIEYTB-FQEVSTJZSA-N 464.437 5.390 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC(=O)OC(C)(C)C)CC2)c1 1824219814 CKFNYACCJUPEIM-PXDATVDWSA-N 495.664 5.059 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1)c1ccc(O)cc1 1824633289 FHFBRUCUTORZSY-LADGPHEKSA-N 488.619 5.190 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3c(Cl)cccn23)CC1 1827369900 DQWMTSUPXMJQAR-OAQYLSRUSA-N 471.045 5.213 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684753 QZIWEMQLDDLVIQ-ZOBSEURRSA-N 478.658 5.048 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827776842 XFOCZQJAMOGHBU-OAQYLSRUSA-N 492.925 5.237 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1828154195 UZOIKWBQJLLFKF-VWLOTQADSA-N 474.992 5.240 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828244972 CIFXWDJGCRALJJ-VWLOTQADSA-N 464.650 5.431 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1828341609 KJGZYAAJWYTOFG-HRBBJJPOSA-N 496.698 5.207 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)c(Cl)c1 1828418552 HSHQKTYQUUFCLA-ZJSXRUAMSA-N 495.973 5.363 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc3c2CCCO3)CC1 1828824001 DGZSSCKWBZYQFP-OFNKIYASSA-N 456.652 5.075 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1828827390 MBCKFXAFZLCNLO-UIOOFZCWSA-N 477.649 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828828193 DSTACKSNAWUOFO-YIXXDRMTSA-N 475.633 5.251 30 20 JKED CN(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1828906850 LLKSPABKSUUEFE-SANMLTNESA-N 481.757 5.037 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829137222 PACROJODQMIHFZ-LJQANCHMSA-N 453.549 5.259 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)C1 1829621714 URIKTEPXRSNXBN-MHZLTWQESA-N 481.640 5.806 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1829679038 GFCJFFMGPAYWJR-OAQYLSRUSA-N 493.654 5.390 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689311 ALVUQDJMEPMUCC-NRFANRHFSA-N 497.064 5.266 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)CC1 1829694501 BJEWKFPLSXSSCJ-VWLOTQADSA-N 499.026 5.964 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829821972 PFOIWUYXKQVMOJ-QFQXNSOFSA-N 489.664 5.201 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3cccc4ccccc34)CC2)c1 1829954019 UUVLTXICGVFTNZ-MHZLTWQESA-N 481.596 5.024 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1830015588 KOGOURXEKKQDRS-TWJOJJKGSA-N 476.020 5.249 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)cc2C)CC1 1830502097 ITVSNWGYTZHITB-HXUWFJFHSA-N 483.397 5.202 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1830713593 GZRIZPUBBUKBGA-YABDQXBESA-N 493.545 5.299 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c(Cl)c1 1830722152 ARGGRMLNFFUPEH-DEOSSOPVSA-N 475.976 5.505 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1831375875 GPQNZZOYBHZFSZ-KYBPXCETSA-N 473.455 5.294 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1831444655 QAJCJMOUJHHDPG-XMMPIXPASA-N 497.586 5.202 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831448127 IDYTZJJAHRCOFZ-QFIPXVFZSA-N 475.967 5.333 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c(Cl)c1 1831483524 ZPGFSPYVOZEZPG-VUDCNRLCSA-N 468.041 5.271 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1831840999 ULDXQPCVMZDDLI-KBXCAEBGSA-N 495.508 5.215 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1 1832632462 RPJPRDRCFWAGNU-JTSKRJEESA-N 486.538 5.208 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc(C(F)(F)F)c3)CC2)c1 1832633329 BASGYKXRDGBOMV-MBSDFSHPSA-N 498.549 5.275 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1832634142 OHNYRMLDSPUDLO-AJTFRIOCSA-N 487.644 5.486 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1833289840 VKURXEVANCJFNO-UHFFFAOYSA-N 497.083 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3c[nH]c4cc(C)ccc34)CC2)CC1 1835819872 ABSORDIJOGARIZ-VQHVLOKHSA-N 490.692 5.054 30 20 JKED N#CCC(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCCc3ccccc3)CC2)CC1 1837638038 PMBGNTVICQAIRZ-UHFFFAOYSA-N 481.681 5.262 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cccc(CCCCC)c3)CC2)CC1 1838616632 SVGKMZZENASZDG-QHCPKHFHSA-N 468.682 5.173 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)CCc2cc(Cl)ccc2Cl)C1 1845889118 WZNBEDBYCMCRLJ-UHFFFAOYSA-N 479.524 5.181 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCCC12CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1846890267 UMMRPDGFZPHVEX-HDJSIYSDSA-N 480.424 5.030 30 20 JKED CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 1857591097 MBWXNTAXLNYFJB-BJKOFHAPSA-N 450.707 9.158 30 20 JKED C=CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(Cl)cc1Cl 9825777 CAQQIVNVMMJGHP-UHFFFAOYSA-N 450.376 5.102 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174179 BODLLRVZFOGIFO-UHFFFAOYSA-O 487.567 6.609 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2scc(-c3ccc(C)cc3)c2c1=O 11019437 ZZCSAJFYUXAMQO-KRWDZBQOSA-N 486.622 5.610 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1c(C)cc(C)cc1Cl 11089456 MMSBBAKRHSPMPI-UHFFFAOYSA-O 468.986 5.766 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc3ccccc23)cc1 11127231 MEHYNCZNNSXCOA-UHFFFAOYSA-O 453.631 6.864 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2ccccc2F)cc1 11170937 MOGNIEJSHYEREQ-UHFFFAOYSA-O 496.628 5.799 30 20 JKED COc1cc(-c2nnc(SC[C@@H](C#N)CCC#N)n2C2CCCCC2)cc(OC)c1OC 15235426 UGIVRTLCFGKQQM-MRXNPFEDSA-N 455.584 5.012 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nc2cc(-c3ccccc3)sc2c1=O 18519624 SYUNMGCMIJMKCT-GOSISDBHSA-N 475.639 6.047 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccoc1C 21924814 YNKFZEPVQOBHER-UHFFFAOYSA-N 456.877 5.436 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)c3sc4cccc(Cl)c4c3Cl)n2)C[C@H](C)O1 30571017 NKNPEIIIQABTGA-QWRGUYRKSA-N 456.420 5.910 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)c2nccn2C)cc1OCC 30643220 ZKVPYJIXCCCXOW-NRFANRHFSA-N 456.384 5.025 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCSc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 32338062 NSUFHCUQFBZEIB-SFHVURJKSA-N 491.469 5.883 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 46550072 VVRHFCYCKQEQGV-UHFFFAOYSA-N 452.505 5.177 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 46668038 CUUZUQFLHPOMFM-UHFFFAOYSA-N 494.580 6.360 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 195577475 GJEFAHFKHPBLDW-UHFFFAOYSA-N 457.299 5.262 30 20 JKED N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc(-c2ccncc2)cs1 195662679 NQBZHFHQNJOHRO-FQEVSTJZSA-N 452.514 5.837 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1nc2cc(Cl)ccc2s1 195664282 INVIFYAFYWRZMN-ZBFHGGJFSA-N 475.904 5.032 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 483420854 ZAVXWZBQDPUXAA-UHFFFAOYSA-N 465.513 5.037 30 20 JKED CN1CCC2(CC1)C[C@@H](NC(=O)c1cccc(Oc3ccc(C#N)cc3)c1)c1ccccc1O2 484736223 ZVYQRALCIABGBZ-RUZDIDTESA-N 453.542 5.069 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 485707950 PLZCRZDLPKYPRJ-UHFFFAOYSA-N 473.488 5.190 30 20 JKED CCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 485843126 ULBOILXSURQJMP-HSZRJFAPSA-N 463.940 5.512 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2)cc1 486501998 HMYZBHVWPPOTBI-RUZDIDTESA-N 471.944 5.592 30 20 JKED C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487386408 NFEUVUMMQNECGP-ORAYPTAESA-N 484.503 5.471 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nc3c(c(C)c1C#N)CCC3)CC2 494984947 UZKKMWOGKXZESH-MUUNZHRXSA-N 499.636 5.034 30 20 JKED COc1ccc(I)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1 497321964 MSLXQOSECTWNHA-UHFFFAOYSA-N 454.267 5.091 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 501157974 CWBIRZFYHVZWNH-SFHVURJKSA-N 458.562 5.910 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c(C(F)(F)F)c1 501630228 WVSFQFOMHZTPID-HNNXBMFYSA-N 463.529 5.217 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(OC(F)F)cc1 502337879 YRNFDBWNVYOTKJ-QGZVFWFLSA-N 451.473 5.816 30 20 JKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 509557531 GGKOSDYIQAQTHW-UHFFFAOYSA-N 480.424 6.565 30 20 JKED CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509857199 XVKNTYSRHAKPPT-XMMPIXPASA-N 457.530 5.025 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 511419613 DJGRCKFXMJRYQI-KRWDZBQOSA-N 453.464 6.233 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1OC(F)F 511438172 LUHVDTYWRFWQTD-KRWDZBQOSA-N 451.473 5.816 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512171778 SGSRCKQWQVLGLI-QRWLVFNGSA-N 462.531 5.146 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)n2)cc1 514217042 AZLGHFQHNSBTCF-FQEVSTJZSA-N 495.951 6.271 30 20 JKED N#Cc1cc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)ccc1OCC(F)(F)F 514549643 QNRPPTOOUNOKQS-IBGZPJMESA-N 493.894 5.059 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1csc(NC(=O)c2ccoc2C)n1 515158578 HQJXCCHZQTUPPA-UHFFFAOYSA-N 488.544 5.392 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cs2)cc1OC 515655603 XJLQEJVRAYKVEJ-UHFFFAOYSA-N 485.565 5.725 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3SCC(=O)NCC3CCCCC3)CC2)c1 517860729 XFGVUXCHDMCCEC-UHFFFAOYSA-N 491.657 5.030 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 518053266 VPTWPRSXCRNBDF-UHFFFAOYSA-N 499.617 5.904 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 518709159 NTENSHYFPWPFLB-FQEVSTJZSA-N 472.492 5.599 30 20 JKED C[C@H](Sc1ncccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)N1CCCC1 519507621 CKISJILRJWQSAA-SFHVURJKSA-N 472.570 5.101 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 521282732 SGYINYMOWBUBKI-DEOSSOPVSA-N 455.533 5.091 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 521725928 GBLZVDHRNYNKGU-LBPRGKRZSA-N 478.462 6.067 30 20 JKED Cc1cc(NC(=O)c2cc(/C=C/c3cccs3)nc3ccc(Br)cc23)n(CCC#N)n1 522133956 ATMGWXLORGEDMW-VOTSOKGWSA-N 492.402 5.900 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 524326054 AUXIEDFDFRNVEL-UHFFFAOYSA-N 453.542 5.718 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(OCc5cccc(C#N)c5)cc4)nc(O)c23)C1 524412316 ZYPJSXOXHPKDNQ-QGZVFWFLSA-N 498.608 5.544 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](C)c2ccccc2)c1 589383551 JYMXXEMTYVGJEZ-HXUWFJFHSA-N 483.033 5.597 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 590540906 OAJWGGFCQRFXHZ-UHFFFAOYSA-N 482.783 5.115 30 20 JKED Cc1cccc(OCc2nnc(SCCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)o2)c1 590612601 KXJLHBDLKCTLMS-UHFFFAOYSA-N 491.573 5.009 30 20 JKED C=CCN(C(=O)COc1ccc(/C=C/C)cc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459288 KNVWBVNRIYEGMA-GQCTYLIASA-N 465.531 5.358 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccnc(OCc4ccccc4)c3)cn2)cc1 603689988 WDBSERYSKOMGNZ-UHFFFAOYSA-N 451.486 5.041 30 20 JKED CN1C/C(=C/c2cccc(OCc3cccc(C#N)c3)c2)c2nc3ccccc3c(C(=O)O)c2C1 603748210 GACDTDXXXFMODU-XKZIYDEJSA-N 461.521 5.370 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3occc3COc3ccccc3)s2)c(C(F)(F)F)c1 603756773 ADAFOTMXMSVNPP-UHFFFAOYSA-N 483.471 6.049 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nnc1-c1ccccc1C 603764215 IGZJGHBAQGZRDD-UHFFFAOYSA-N 470.558 5.063 30 20 JKED CCn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C#N)nnc1-c1cccc(C)c1 603968990 SOLBLZPEARXULR-UHFFFAOYSA-N 459.600 5.604 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc(-c3cccs3)nc21 604241795 NWIYIMHIXHJTRP-UHFFFAOYSA-N 480.553 6.052 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 604288824 VYGCIMTYTGOASU-ROUUACIJSA-N 485.428 5.926 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1C 604450993 XJYORCKUTAPJQT-IRXDYDNUSA-N 472.433 5.284 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 604478167 HCFPFQQBPXRZBS-FQEVSTJZSA-N 475.376 5.279 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)cn2)c1 608785024 QMUBFCLKWYKQRF-UHFFFAOYSA-N 473.920 5.952 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 608923356 HEBAPHCNECFTIJ-FQEVSTJZSA-N 461.484 5.206 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4F)C3)cc2Cl)cc1 608995666 VATKCUXAEGNOFW-QHCPKHFHSA-N 451.885 5.748 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(I)cc1Cl 609057949 AUXMHJNPUJVLKP-UHFFFAOYSA-N 464.715 5.797 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C 609061852 ZMWLIJRNICXIPC-UHFFFAOYSA-N 463.537 5.466 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 609078940 FAYQAYKKCVUXMV-BWKNWUBXSA-N 454.574 5.403 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609434620 CUNJJKWFJQKIRY-YWZLYKJASA-N 466.607 6.543 30 20 JKED COc1cc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)[nH]c2c(OC)c1OC 613320193 WPAOTJZLDSLNSG-HNNXBMFYSA-N 467.934 5.461 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 620304227 JPJLZEDJEOVRLF-LLVKDONJSA-N 473.863 6.334 30 20 JKED C=CCn1c(S[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)nc2sc(C)c(C)c2c1=O 639387090 NCJMISVFTVNSNV-WIYYLYMNSA-N 483.659 5.018 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C)c(F)c2)cn1 726117133 RZMNPROWIUXIKS-QHCPKHFHSA-N 493.608 5.128 30 20 JKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)ccc1-c1ccc(Br)cc1 726319160 AAWAHRKFLGHXLT-QGZVFWFLSA-N 456.727 5.069 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 726319464 IPJAQTKXVWZCBA-SFHVURJKSA-N 496.470 5.613 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 726401572 TVYZODSSFLSUBZ-UWJYYQICSA-N 474.026 5.342 30 20 JKED CC(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)S/C2=N/[C@@H](C)c2cccs2)CC1 726419117 CQSXSQCJBSYVCN-REXWVETOSA-N 484.691 5.011 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccsc1)c1cccs1 726419685 GMMIDYKWFUTGFG-ZLWLIRGASA-N 455.630 5.400 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(CC2CC2)CC1)c1cccs1 726421876 QFXUZQYQKTWDQB-RMQSUUFMSA-N 496.702 5.012 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)sc2C)cc1 726570544 DYAPNQUPMNOBEQ-UHFFFAOYSA-O 455.028 6.063 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)n2ccc(=[N+](C)C)cc2)c(C)s1 726571365 VHYNNTIONNXGBT-UHFFFAOYSA-O 470.043 5.047 30 20 JKED COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 727102434 PVYYKSRAUUHYIC-WUFINQPMSA-N 475.548 5.460 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2c(C)cccc2C)c1C 727252717 MFBPFHPNZZUPSX-HSZRJFAPSA-N 489.645 5.297 30 20 JKED CCOC(=O)C1C/C(=C/c2ccc(-n3cccn3)cc2)C(=O)/C(=C\c2ccc(-n3cccn3)cc2)C1 727973871 AXKPEUUYSRTGST-BOYKQRMESA-N 478.552 5.067 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1 728200957 WMUICYNNGCRWPD-UHFFFAOYSA-N 453.901 5.297 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(C(F)(F)F)c1 728777179 ZYHRVRSCGLSSKL-FQEVSTJZSA-N 499.518 5.231 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 728778683 ULAUJCKVFQOOSW-GOSISDBHSA-N 493.391 5.787 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(CCCCC#N)C1=O 728778970 WFJLBFUCAJRFBR-JOCHJYFZSA-N 499.036 5.620 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 728780585 UUMUQPBSVZMIBB-HXUWFJFHSA-N 483.956 5.005 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)c1 728780750 YDTZVOCKWRUVSJ-XMMPIXPASA-N 488.588 5.942 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(Br)c2)N([C@H](c2ccccc2)C2CCC2)C1=O 729145108 HZLKKPKYTYHHAZ-TZIWHRDSSA-N 486.435 5.058 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)cc1 729889315 NGDGTLFPNQMUEY-OAHLLOKOSA-N 461.768 5.841 30 20 JKED N#CCCn1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c(-c2ccccc2)n1 730584539 UPCYWKQRRFRPKW-UHFFFAOYSA-N 498.399 5.112 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1Cc1cocn1 730708668 GZBNHZKHNUPZBV-LJQANCHMSA-N 489.384 5.450 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(Cl)c1 730720308 PUFAQASJRMMQLH-SFTDATJTSA-N 492.004 5.086 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730942771 XELKXMNLELWGIU-MHECFPHRSA-N 490.604 6.066 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944771 ZWOPOECQXJCGCR-CYFREDJKSA-N 472.614 5.043 30 20 JKED N#C[C@@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1cccc(Cl)c1Cl 731195738 NOKSBISUTHDEKP-QGZVFWFLSA-N 453.416 5.622 30 20 JKED N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc(-c2c(F)cccc2F)cs1 731290048 GZKKIDFSWUYAKQ-MRXNPFEDSA-N 491.357 6.276 30 20 JKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nccn1C 731400350 NPZNLCMWNMMQNH-XMMPIXPASA-N 453.502 5.004 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc1Br 744762025 USLPKJLUQOPMSU-UHFFFAOYSA-N 475.412 5.231 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc([C@H](C)N(C)C)n(-c2ccc(F)cc2)c1=S 746056120 UOXOZZCHTZYIHQ-IBGZPJMESA-N 466.630 5.152 30 20 JKED CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 750701011 IZKZJEFEGHDCIK-UHFFFAOYSA-N 450.539 5.119 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1csc(-c2ccc(F)cc2)n1 767031652 CHGWRXASPVLUCY-UHFFFAOYSA-N 480.977 6.232 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)/C=C\c2ccccc2C#N)cs1 775082227 HHYPWXDZBIIVMX-TWGQIWQCSA-N 472.353 5.763 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)cc1 799220478 CFBKVULRDCNSCB-LJQANCHMSA-N 479.524 5.225 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 837518942 HAXQIYDBROEKLH-HTAPYJJXSA-N 465.550 5.400 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(C3CCN(C4CC4)CC3)C2=O)cc1 837883090 CMHCGZNCKGCYOK-QHCPKHFHSA-N 497.064 5.236 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1ccc2ncccc2c1 840071084 AVUZPIAKWFPABW-SANMLTNESA-N 495.510 5.339 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2F)c(C)s1 914689862 BSFLZASLJWGFNC-HXPMCKFVSA-N 463.575 5.005 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C2CC2)[C@@H](C)C2CC2)c1 914841450 QFXKLBZQDUMLHL-KRWDZBQOSA-N 489.037 5.133 30 20 JKED Cc1nc(NN=C2C(=O)Nc3cc(OC(F)(F)F)ccc32)c2cc(-c3ccccc3)sc2n1 915047965 LGNULKHWRXAWGZ-UHFFFAOYSA-N 469.448 5.334 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 915086349 UGSNALDAKYGUSN-HHHXNRCGSA-N 497.664 6.383 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)c1 915086482 LCKBTRFWMUMIAI-MUUNZHRXSA-N 491.547 5.620 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)nc(O)c2c1C 915088686 UXWRYOYMQXOCBG-DYESRHJHSA-N 488.638 5.930 30 20 JKED N#C[C@H](C(=O)CCN1C(=O)COc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103628 ZONVWYOYTIDOAD-OAHLLOKOSA-N 472.353 5.109 30 20 JKED O=C(Nc1ccc(-c2ccccc2)cc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 915780790 GDOWYCAXLNTUGJ-ZSHCYNCHSA-N 476.392 5.457 30 20 JKED COc1cc(/C=C\C(=O)c2cc(F)ccc2F)ccc1OCC(=O)Nc1ccccc1Cl 916134472 KTGGBWIGPUHDKF-POHAHGRESA-N 457.860 5.540 30 20 JKED COC(=O)c1ccc(COc2ccc(C=Nn3c(S)nnc3-c3ccccc3Cl)cc2)cc1 916277168 VTMPHOYZSCYHKQ-UHFFFAOYSA-N 478.961 5.135 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 916283575 IMIIEBRVPHIBDK-UHFFFAOYSA-N 477.952 5.602 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1Cc1ccccc1 916846579 APXSUKSQMJKGJM-FQEVSTJZSA-N 456.571 5.232 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc(N)nc(Nc2ccccc2)n1 916879266 CAMWWNAHHORRSB-QFIPXVFZSA-N 491.530 5.294 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCN1c2ccccc2Sc2ccccc21 916903492 OSIPQGFMODFORG-OAQYLSRUSA-N 469.610 6.152 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916927506 LBBZFEJRQVFKSQ-HNNXBMFYSA-N 458.326 5.268 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1Cl 916939565 IANPCCOYMVJSSJ-HXUWFJFHSA-N 490.972 5.250 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCNC(=O)Nc3ccc(Br)cc3)n2)cc1 916974804 RETBLAKDEVCVIO-SFHVURJKSA-N 483.391 5.269 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 917026566 HVFOTDPHTSHKIG-OALUTQOASA-N 468.376 5.016 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043415 LUGIFPWJHDKQFB-AWEZNQCLSA-N 460.868 5.953 30 20 JKED C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(Cc2ccccc2)cc1 917608038 WANSTDZFQDIUGI-UHFFFAOYSA-O 475.637 6.123 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 918291108 SFDTVKVXPLBDAS-UIOOFZCWSA-N 455.533 5.467 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 918299870 ZYXSHYKFSAOVBO-HSZRJFAPSA-N 480.593 5.296 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2cc(Br)cs2)n1 918487894 RLPPBNNWTUVDPW-HNNXBMFYSA-N 488.432 5.720 30 20 JKED CN(CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1)C(=O)c1ccc(Br)s1 919534774 YKRDEZQNVVVOEP-UHFFFAOYSA-N 497.414 5.026 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Oc2ccc(C#N)cc2OC)c(OC)c1 920016443 FEXHWRBPNHTGED-UHFFFAOYSA-N 456.498 5.271 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 920105893 HVFLSUBMVPKKEY-LJQANCHMSA-N 472.957 6.044 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920141410 JBGQCODOLXOUCK-HXUWFJFHSA-N 458.543 5.197 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3cc(C)on3)C2=O)cc1 920354469 CTSINLHKWZQJDE-HSZRJFAPSA-N 492.601 5.241 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)N=C1C 920396100 QYOVLBDOYHMMGA-UHFFFAOYSA-O 486.661 5.659 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(Br)c(C)c2)cs1 920479036 IOWUBBKMWSLBIV-UHFFFAOYSA-N 463.788 5.998 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc3ccc(C(F)(F)F)nc3c2)CC1 920795818 UWHPGCLHOSPUTC-UHFFFAOYSA-N 482.418 5.195 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2c(F)cccc2F)cs1 920806660 NBPNPTADIIJXQK-DOTOQJQBSA-N 485.943 5.470 30 20 JKED CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N(CCC#N)c3ccc(C)cc3)c2)cc1 920970452 JJCOTQUYKCBTMV-UHFFFAOYSA-N 491.613 5.088 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 921133134 TYMCFPLOUMBZGR-JTQLQIEISA-N 454.335 5.587 30 20 JKED Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)n1Cc1ccccc1 921193076 HJQSKKMFPURJLX-UHFFFAOYSA-N 459.600 5.421 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CCC1 1785787808 MLQADIWOZMBPRC-UHFFFAOYSA-N 495.366 5.087 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785881625 DZVLEWCAXPQTKG-KNTRCKAVSA-N 453.542 5.240 30 20 JKED Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)c1 1787433049 WSJJVFQJEQJZFI-UHFFFAOYSA-N 489.373 5.086 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)/C=C/c4cccs4)cc3)CCC2)c(C#N)c1 1788163811 UKEXQWNWEAKNDG-VAWYXSNFSA-N 471.582 5.018 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4c(C)oc5cc(O)ccc45)cc3)CCC2)c1 1789023862 DZRJEMZYGPJVQI-UHFFFAOYSA-N 495.535 5.389 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)CCC1 1790331344 LDYWTBMUYWBWII-JOCHJYFZSA-N 499.558 5.182 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c(F)c4)cc3)CCC2)c(Cl)c1 1790655638 OPHZULQXRLCZMZ-UHFFFAOYSA-N 463.896 5.118 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)ccnc4Cl)CCC3)cc2)cc1 1790703215 KMZDEWKKSOFVAV-UHFFFAOYSA-N 462.912 5.002 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc5ccsc5[nH]4)cc3)CCC2)c1 1790877280 VGYPYBHAXNHSNY-UHFFFAOYSA-N 458.518 5.302 30 20 JKED C[C@H](Cc1ccncc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1791041137 DLYISTAWOUSGLA-GOSISDBHSA-N 472.976 5.233 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)CCCO5)cc3)CCC2)cc1 1792089210 XTXHRUGSNVDKMX-UHFFFAOYSA-N 465.553 5.139 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CNc5ccccc54)CCC3)cc2)cc1C#N 1792168367 RVRDCWJVHLSBJL-VWLOTQADSA-N 494.595 5.302 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H]3C)CCC2)cc1 1792337554 ZRZZOQSWWMNSDR-KNDOLIKCSA-N 481.637 5.026 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(C)noc1-c1ccccc1)c1ccccc1 1796930160 SDRQWYXHKIBWNW-XDZVQPMWSA-N 481.596 5.099 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccc(Br)cc2n1 1798191981 XFJZKLUOIGFFGB-WOZUAGRISA-N 482.422 5.018 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1802496608 KXFIQNYMONMSOP-QUCCMNQESA-N 477.527 5.314 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1803077973 OFRNOVAQXVOJKX-LSYYVWMOSA-N 482.628 5.473 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1c[nH]c2cc(C)ccc12)c1ccc(O)cc1 1804524426 LGDTZQZCBOXFDL-AVORXBQKSA-N 495.623 5.031 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C2)CC1 1804741989 SPPZYBKIOABJEK-UHFFFAOYSA-N 454.014 5.435 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cccc(Cc4cccc(F)c4)c3)CC2)C1 1806019094 IVCHBZZUQFGFEP-UHFFFAOYSA-N 492.635 5.244 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C(F)(F)F)cn3)C2)CC1 1807068505 ZGJHVCXFMOOOFJ-UHFFFAOYSA-N 479.587 5.257 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)[C@@H]1c1cccnc1 1810175602 MBVPQYZOJZGLER-JIMJEQGWSA-N 459.634 5.125 30 20 JKED C#CCCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810401317 QBMKCTARVVYRGH-UHFFFAOYSA-N 465.597 5.160 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(F)c2)[C@H]1c1cccnc1)c1ccccc1 1810443797 MDGWMPQAQUYWMW-KGPYPHOUSA-N 483.587 5.046 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(C)ccc2F)[C@@H]1c1cccnc1)c1ccccc1 1811031851 GHJYYTNJKZLACF-QQNWGBJXSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(F)c2Cl)[C@@H]1c1cccnc1 1811111890 HDEFWIDWQSEOIG-AVRDEDQJSA-N 457.977 5.186 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)[C@@H]2c2cccnc2)cc1 1811889371 OUVWPKOMOQDPOT-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccnc1 1812039642 QPGYZYYKBLKXBO-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[C@@H]1c1cccnc1 1812591165 BCKDETKVQAMINK-MUXSNRJPSA-N 493.611 5.157 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)c2[nH]1 1813865938 KDXMIFJEFFJPFV-XECDKEEKSA-N 491.595 5.132 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814148357 IZLJDIKMNOUDGH-BHBYDHKZSA-N 473.661 5.474 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1814733102 GZAHONOZXOEGJO-HJPURHCSSA-N 491.979 5.053 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)[nH]n1 1815244100 XDYSVQAIAONULG-OFNKIYASSA-N 499.587 5.010 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1815656992 RPPYTEMEWZJSOB-LJQANCHMSA-N 477.030 5.075 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)c(OC)cc(OC)c2F)n[nH]1 1817202316 FWEIRYYWJUTREC-INIZCTEOSA-N 490.551 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)cc(OC)cc2C)[nH]n1 1819308940 ITPASPSVSGBFKM-UNMCSNQZSA-N 450.583 5.109 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cccs3)on2)n[nH]1 1819788744 YASCOTPWNZVLPX-QFBILLFUSA-N 465.579 5.201 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)c1cc2scc(-c3ccccc3)c2[nH]1 1820115801 KRPZPFKJDJQTPL-QFIPXVFZSA-N 483.597 5.339 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)c1Cl 1820217883 IQLMGEGYWQHPID-UCFODXPJSA-N 465.966 5.016 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820221313 SXSMKUBNEJUITB-FQEVSTJZSA-N 465.916 5.002 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)[nH]n2)cc1 1821179727 LLIOQQDVFPYBKO-FQEVSTJZSA-N 499.468 5.253 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)[nH]n2)cc1 1821182564 TWVQCOWUCRAAHJ-QHCPKHFHSA-N 496.596 5.219 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)[nH]n1 1821922130 ZULRCORAKRRCDJ-OPAMFIHVSA-N 479.531 5.268 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)[nH]n1 1822392884 HFDLPBVDFMIEJB-NRFANRHFSA-N 497.571 5.005 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)c(Cl)c1 1823185369 KPLHZQQLWFWWFL-JBVUFVISSA-N 482.993 5.178 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CSc3ccccc3)[nH]n2)c1 1823210349 AEELSKLDRRWMMC-WZONZLPQSA-N 473.602 5.135 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)c2c1 1823210450 DIYOKUMSFKMWEQ-AFMDSPMNSA-N 494.599 5.375 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c[nH]1 1824051174 FRQKHKMUEQPZRH-RUZDIDTESA-N 474.649 5.050 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1824054191 QCTLTUADARZXCN-VWLOTQADSA-N 481.999 5.217 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)cc1 1824238016 XYMAAKJYKLHEDP-DPZBCOQUSA-N 491.582 5.068 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1824500904 OUGOAWKFBIOJFC-JOCHJYFZSA-N 499.633 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c(F)ccc(F)c2F)CC1 1824797031 LTXAWSCCIOSQJK-QFIPXVFZSA-N 464.572 5.259 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)CC1 1826000990 SMNSUXNTNCSJRQ-RTWAWAEBSA-N 463.544 5.102 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826677726 ZOBOMPGDIMNVPE-KRWDZBQOSA-N 468.413 5.030 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1827298779 XHDUZLVAXUHRQK-XMMPIXPASA-N 493.051 5.451 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827996717 GQDPPGQJNBACII-NDEPHWFRSA-N 467.613 5.711 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc4c3CCCC4)CC2)c1 1828569436 QCNUOJBOPRTAMM-RUZDIDTESA-N 491.657 5.054 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1828822073 VVCQBBQRQDUIOF-IGKIAQTJSA-N 461.650 5.407 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)cc12 1828906555 UAHWWLBZQFIHTR-HHHXNRCGSA-N 491.752 5.761 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)CC2)cc1 1829582232 OIUANAKKTGLRJN-DEOSSOPVSA-N 496.636 5.573 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCOc3ccc(F)cc3)CC2)c1Cl 1829686151 WLAWBFCYTWXJOK-DEOSSOPVSA-N 497.998 5.053 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705658 NYVLIHSKYKBDRZ-SVBPBHIXSA-N 492.635 5.299 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1830451010 VWBMOFNNXOYQRB-AREMUKBSSA-N 477.649 5.037 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830475722 UNUANGJLUHEYQF-IBGZPJMESA-N 460.899 5.063 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830558044 WAIWFRDCKIKBNO-IBVKSMDESA-N 461.581 5.308 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3cn2)CC1 1830819539 MSFKLPYAZNNSTF-DEOSSOPVSA-N 479.697 5.112 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)s1 1831141871 XWEWGNQNMUEXCQ-XMMPIXPASA-N 492.689 5.489 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1831225445 NVPQWGRGPFZTSI-AOYPEHQESA-N 490.047 5.104 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831237013 CQRMLTHCJVOVKU-RDPSFJRHSA-N 476.583 5.318 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1831598967 KLABYLUACOKERS-HHHXNRCGSA-N 457.618 5.158 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 1832030644 WJEOYXRSXAJTRG-XMMPIXPASA-N 499.493 5.294 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1 1832476906 MPKKMLBMWRQABK-XMMPIXPASA-N 456.747 5.238 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c1 1832634649 SWAGDIMKSGDKDF-IBVKSMDESA-N 469.585 5.607 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)CC1 1836697629 NSAPPHHJBQRAHJ-UHFFFAOYSA-N 493.692 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4sc(C)nc4c3)CC2)CC1 1838242373 MIZBUQPAFZCIEK-UHFFFAOYSA-N 483.678 5.209 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nc2cc(Cl)ccc2c1=O 9085642 NSGDBUQZXQSFGK-INIZCTEOSA-N 456.011 5.787 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10167658 SORIIZSJQFAKFC-UHFFFAOYSA-O 467.614 5.933 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(C)cc2C)cc1 10168524 YIDHSLUTRSJSKK-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1ccc(SC(F)F)cc1 11113257 WLXLZRZFEQKUEJ-UHFFFAOYSA-O 484.038 6.617 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2cccc(C)c2)c1C 11153802 YPBQUIQKIXUTQC-UHFFFAOYSA-O 464.611 5.072 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 11209376 SCMSGYVSYBINGJ-UHFFFAOYSA-N 489.626 5.433 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)nc2ccccc21 11650574 CGHYRUNTQPLNRG-UHFFFAOYSA-N 483.062 6.926 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc2sc3c(c2c1=O)CC[C@H](C)C3 15848654 FMQGZXAIVTZUDS-QWHCGFSZSA-N 475.586 5.166 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)n(C2CCCC2)c1C 21480154 UGHDBLLOLVOPDQ-UHFFFAOYSA-N 456.546 5.313 30 20 JKED COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCCCC#N)cc(OC)c1OC 21712634 XTJINDFGYJCDDD-NBVRZTHBSA-N 458.514 5.208 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1C 22695450 COTOPHSPPUVUDR-UHFFFAOYSA-O 487.595 6.511 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc2c1=O 23348714 MZDSHXXVBVFOSY-QGZVFWFLSA-N 471.607 5.893 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 24322588 OQHKXHYHXPLSDC-UHFFFAOYSA-N 464.974 5.595 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2c(NC(=O)C(C)(C)C)sc(C)c2C)cc1 26619144 ZTOHDOXYMRYVKU-QGZVFWFLSA-N 469.607 5.150 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)CSc3ncnc4scc(-c5ccccc5)c34)CC2)cc1 29983961 XRYZGEJTNXVELS-UHFFFAOYSA-N 499.665 5.057 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccoc1C 72050223 UJEDVSULLBUHQY-UHFFFAOYSA-N 477.615 5.451 30 20 JKED Cc1ccc(C)c(OCc2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)c1 105388034 AFMUKHLUIUBDOB-SFHVURJKSA-N 476.583 5.358 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC(C)C)C2CC2)ccc1Cl 105829430 SPNUMKCGPXQQNG-UHFFFAOYSA-N 481.445 5.635 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2cccc(C)c2)cc1 255935712 XLKFOAKVTOAMEV-GOSISDBHSA-N 469.570 5.242 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 302944680 MDXJHDLIFSPKEH-FDDCHVKYSA-N 478.017 6.003 30 20 JKED C=CCN(C(=O)c1csc(-c2cnccn2)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 476671131 HKIMKDVJAHHOHZ-UHFFFAOYSA-N 481.606 6.223 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc12 487811483 WGBAHTWHQVXUEU-UHFFFAOYSA-N 454.477 5.472 30 20 JKED N#CCCN(Cc1ccco1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 490366889 MWYUDIKBWVHULK-UHFFFAOYSA-N 464.528 5.505 30 20 JKED CSc1nc(O)c(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)cc1C#N 497942009 YWYTTWAGLLXPDZ-GOSISDBHSA-N 497.407 5.731 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)s1 497999048 WYKZKHOXNSFMKI-UHFFFAOYSA-N 488.613 5.128 30 20 JKED CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccc(CC#N)cc4)o3)cc2C1 499367798 GNDUZTSSCRVQQF-QGZVFWFLSA-N 466.632 5.746 30 20 JKED C=CCn1c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nnc1-c1ccccc1F 503740773 TUZXJPRBSOPXHJ-UHFFFAOYSA-N 493.633 5.378 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 506999160 BYAUKBFQPFZKKR-MRXNPFEDSA-N 452.486 5.834 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)ccn2)cc1 508254492 YCFZYXJKLMWNIH-UHFFFAOYSA-N 496.523 5.877 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1Cl 508355421 BCKOZSZDMLYRGC-QHCPKHFHSA-N 497.986 5.467 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)n2)cc1 509663305 BUBYKRMOABXVSU-UHFFFAOYSA-N 454.486 5.371 30 20 JKED CSCC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 510007369 UXYQMOBZDOQQFG-IFMALSPDSA-N 491.020 5.654 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 510232187 ZAYBOOXHLVVPFV-UHFFFAOYSA-N 488.503 5.103 30 20 JKED COc1ccc2cc(CN(C)C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)ccc2c1 510243561 REJFVLHLDLWKDE-UHFFFAOYSA-N 475.599 5.528 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1Cl 511515703 LIWUSBYZXBWRJP-HSZRJFAPSA-N 478.379 5.779 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc(Cl)c1OCC(C)C 513656067 XHUKZLUGOVLOSE-HNNXBMFYSA-N 485.993 5.463 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c12 514428244 XJBMGTJQJCRMIZ-UHFFFAOYSA-N 476.587 5.320 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc(OCc2ccccn2)c1 515441878 YRSVBABLSGIONI-IBGZPJMESA-N 453.498 5.195 30 20 JKED N#Cc1c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 517325164 DADVXKYBWDLLFW-UHFFFAOYSA-N 483.553 5.441 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 517604480 UMSUKHIRLRTXSM-NRFANRHFSA-N 453.567 5.767 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 518151383 QTWIYLCNMRCALR-UHFFFAOYSA-N 482.549 5.002 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OCC)c1OCC 518516517 IEZVQXIQAXNBFW-LJQANCHMSA-N 461.543 5.368 30 20 JKED Cc1ccc(Cc2nnc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)s2)cc1 518660422 WWMXULXLABAJLN-UHFFFAOYSA-N 499.621 5.292 30 20 JKED CCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(OC)cc1 520942549 FXFUFSDBAWYXEQ-VWLOTQADSA-N 457.530 5.345 30 20 JKED C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 521326728 DJWQEBDNBWHSFE-RBUKOAKNSA-N 491.638 5.473 30 20 JKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(OC)cc2)cc1 521748771 IQAGATROMXZEJP-CLOONOSVSA-N 475.614 6.061 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C 521755000 RGRQKTNJSAMLER-UHFFFAOYSA-N 486.535 5.862 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 524311770 HGPHNXBHQAVXSZ-UHFFFAOYSA-N 456.477 5.074 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1OC 524367040 GZMJVASNAYHMOZ-OAQYLSRUSA-N 479.964 5.385 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SCCC#N)nnc1-c1ccc(Cl)cc1 524674676 ZFZWXGCOWDTFEO-UHFFFAOYSA-N 458.012 5.355 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3c(cc2C#N)CCCC3)cc1 585688373 HFAMGMSDNVONSE-KRWDZBQOSA-N 486.597 5.212 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nn1-c1ccccc1F 604027372 WGQZLXHCQKOYQX-UHFFFAOYSA-N 474.879 5.250 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccccc2)cc1 604463847 PYWPAIYDTDESGL-MHZLTWQESA-N 477.520 5.203 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)c(C(F)(F)F)c1 608979075 XTXVJXGSIQURSQ-KRWDZBQOSA-N 462.415 5.512 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)NC[C@@H](c3ccccc3Cl)c3c[nH]c4ccccc34)CC2)nc1 608997636 ROZGVLIAYAKXDO-QHCPKHFHSA-N 499.018 5.188 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(F)F 609083192 AHEVFORQNQVNNN-INIZCTEOSA-N 466.282 5.300 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609177335 OXRZZKPROKWYOO-UHFFFAOYSA-N 455.539 6.500 30 20 JKED Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1NC(=O)c1ccco1 609378431 HWJORJBCGSRLPZ-UHFFFAOYSA-N 473.476 6.117 30 20 JKED CCOc1cc(CN(C)C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OC(F)F 612805800 QOKUNAQVMTYZPQ-STQMWFEESA-N 492.407 5.738 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(Br)cc4)CCOCC3)n2)cc1 726325925 XABBRAFSXPSBDT-FQEVSTJZSA-N 497.414 5.506 30 20 JKED Cc1csc(-c2cccc(OC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)n1 726367215 BLLRTRBSPXPPFN-UHFFFAOYSA-N 460.515 5.060 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 726394543 VJWDSFFQTRCPMU-MGPUTAFESA-N 494.444 5.056 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 726403121 YNECPCDKGBAJID-IFXJQAMLSA-N 480.417 5.379 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(C)C)C2=O)c1 726407889 VWRGOYVDZOQYOP-NRFANRHFSA-N 469.010 5.445 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2)cc1F 726413693 ZSVYUJOUUAALKQ-QFIPXVFZSA-N 499.514 5.273 30 20 JKED C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 726465307 UZGKCKVGQNGLST-HNNXBMFYSA-N 466.969 5.580 30 20 JKED COc1ccc(C)cc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1 726571522 WQSZXWZJEDPLHP-UHFFFAOYSA-O 493.052 6.437 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1Cl 726889707 GODINDVTBQGBML-FQEVSTJZSA-N 469.950 5.102 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 728028988 SKDSCLDONHFPAY-SANMLTNESA-N 485.584 5.520 30 20 JKED Cc1cc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c(C)n1-c1ccc(C#N)cc1 728268444 NTSVZKDKIZQPLZ-UHFFFAOYSA-N 466.516 5.538 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCCCC#N 728780267 PDNRSOONCIQDMA-OAQYLSRUSA-N 454.640 5.227 30 20 JKED COc1ccc(OCc2nn(CN(C)[C@H](C)CC#N)c(=S)n2-c2ccc(C)c(Cl)c2)cc1 728902348 OCILQMBFBIOLEO-QGZVFWFLSA-N 472.014 5.144 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729146755 XOMGRKBNVUPHRY-PZJWPPBQSA-N 459.974 5.088 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CCc2nc(C(C)(C)C)cs2)C1=O 729634369 LOBOVJZKIMQDOB-OAHLLOKOSA-N 499.489 5.058 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2F)c1 729818090 GBZICIDSCPCQRT-QHCPKHFHSA-N 490.535 5.305 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(C3CCC3)C2=O)c(OC)c1 730459959 QLHLZVGTTPKHGF-DEOSSOPVSA-N 489.597 5.370 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944696 FJBMVIXFRVSWIK-CFCQUWRWSA-N 478.643 5.603 30 20 JKED COc1cc(/C=C2\Cc3ccc(C)cc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 730948833 MMEIERAIYRKYAE-XDHOZWIPSA-N 481.470 5.862 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1 731074518 SJAZXFRIPBRHMR-SFHVURJKSA-N 485.569 5.057 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c1C 746695976 JTCQWZLJGSZWBI-NRFANRHFSA-N 471.598 5.218 30 20 JKED CC(C)(C)N1C/C(=C/c2csc(-c3ccccn3)n2)C(=O)/C(=C/c2csc(-c3ccccn3)n2)C1 747067414 XCCYVABDAIKRII-MGYAYREDSA-N 499.665 5.874 30 20 JKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CCC3)cn1 747434759 QMFHTNJIIAZGHN-JXAWBTAJSA-N 453.933 5.737 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2cscn2)cc1 747599228 HSVKMVKKAWPBSC-QFIPXVFZSA-N 492.626 5.069 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCc3nccs3)C2=O)cc1 747599619 KZISPJZXZMUENG-IBGZPJMESA-N 485.034 5.308 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cscn2)cc1 747602953 QWQXQXZOHQTUEQ-NRFANRHFSA-N 464.616 5.427 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cc(C)cc(C)c2)n1 748034565 CTTKWADGOYZASZ-QFIPXVFZSA-N 492.576 5.007 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 749107637 GUFYGURLHLTBME-UHFFFAOYSA-N 456.571 5.398 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 749485968 ITFDMXZGHJAYTF-ZEQRLZLVSA-N 488.385 5.348 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CC(F)(F)F)C2=O)cc1Cl 799218589 CAUIPJOQULHPBK-MRXNPFEDSA-N 473.879 5.310 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 837448744 MFJWLCWEVLVJRE-AUSIDOKSSA-N 458.587 5.420 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 913120544 KIWNXDUAZCHWQK-SFHVURJKSA-N 491.400 5.075 30 20 JKED N#Cc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)c1 914446294 OMMMUHVXLPTOAV-UHFFFAOYSA-N 494.787 5.249 30 20 JKED Cc1cc(CSc2ccccc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)on1 915283946 NWDNRQYYVZMIRT-UHFFFAOYSA-N 455.539 5.978 30 20 JKED COc1ccc(/C=C\C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1OC 916054936 GAWXPRQIOLFUFC-YVMONPNESA-N 473.476 5.293 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1F 916211150 KPAWXIYPNZKPGA-HXUWFJFHSA-N 486.931 5.174 30 20 JKED CCOc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CN[C@H](CC)CO)c3C#N)C(C)(C)C2)cc1 916572162 WGTOAYVGIUFMPL-AQKVLALTSA-N 479.646 5.096 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COc1ccc(-c2ccccc2)cc1Cl 916903723 RIUJMHGDTSPZAJ-JOCHJYFZSA-N 460.961 5.858 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 916909810 VBXUVTOWEAYFJQ-HXUWFJFHSA-N 477.561 5.534 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccc([C@H](C)CC)cc3)cs2)cc1 916948607 ICOUVRQFKWXVJW-UZUQRXQVSA-N 461.587 5.612 30 20 JKED N#C[C@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977690 WTJIVYGEKBMQCL-PKTZIBPZSA-N 485.996 5.681 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 917024877 BIDXIWQDHPQCAW-OAQYLSRUSA-N 451.555 5.432 30 20 JKED N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042050 AZETZOBOHDAWTJ-FPOVZHCZSA-N 493.510 5.533 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NC(C)(C)C)[n+]2ccc(Cc3ccccc3)cc2)C=C1 917614597 XKLZWGCRKIGPPJ-UHFFFAOYSA-O 488.677 5.571 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1C1CCN(C2CC2)CC1 917698024 WSBZMICAJHXXDJ-DEOSSOPVSA-N 496.721 5.160 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2cccc(Br)c2)c1=S 918180762 FIRNTHYESGYLOL-UHFFFAOYSA-N 459.413 5.128 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1nc(-c2ccccc2)cs1 919514979 KGKNXDAXOUFPFY-MRXNPFEDSA-N 473.510 5.038 30 20 JKED Cc1sc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nc1-c1ccc(Cl)cc1 919904408 KUGIRXBTGNQJIC-QHCPKHFHSA-N 473.001 6.749 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 919931744 QECIZGAJWWUNST-VXGBXAGGSA-N 473.339 5.530 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccccc1Cl 920102536 UNQNSLWBRUMQOA-FQEVSTJZSA-N 472.928 5.923 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 920113369 VZIXDSDMKTWLEW-OXTKFYJJSA-N 482.918 5.356 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)SC2=Nc2ccccc2)no1 920354849 HZOATYMIAOCMQM-IBGZPJMESA-N 488.491 5.162 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2Cl)no1 920355071 HWQBFLUIHPNRAD-LJQANCHMSA-N 489.384 5.450 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)cc1 920356441 PGOFPSZZLIRWBN-QFIPXVFZSA-N 480.565 5.153 30 20 JKED N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 920804650 XRKXYMFPVRXEAB-CQSZACIVSA-N 453.539 6.287 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(N2CCCC2=O)cc1 920978315 VKVZMMMIWZULEI-FQEVSTJZSA-N 468.557 5.341 30 20 JKED COc1ccccc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nccn1C 921118008 JOUVBKBBVMUQOM-DEOSSOPVSA-N 453.502 5.004 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCOCC(F)(F)F 932752445 PJKFPYYDJBHYRN-SFHVURJKSA-N 499.942 5.188 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CCC#N)C4)cc2)cc1 1780859364 JXTWXVGAWSGGRO-POURPWNDSA-N 487.644 5.127 30 20 JKED C[C@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785797799 NCXSUNZQVDTFAJ-HXUWFJFHSA-N 455.558 5.097 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)c1 1785884140 AZUJTTOELAYDRY-HXUWFJFHSA-N 462.553 5.176 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1)NC(=O)OC(C)(C)C 1785910981 COTFZWXVAODCJW-FQEVSTJZSA-N 491.579 5.025 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC4(CC4)CN3C(=O)OC(C)(C)C)cc2)CCC1 1786175014 RJRDZDMNXFJKLX-KNQAVFIVSA-N 481.637 5.122 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCCO3)cc2)CCC1 1786645950 MGZGXMBXDGMXAN-QHCPKHFHSA-N 454.687 5.131 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1)NC(=O)OC(C)(C)C 1786915874 NUHOPBCJHFIKOY-FRFYRWIFSA-N 493.604 5.286 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c(-c5ccc(F)cc5)c4)cc3)CCC2)CCC1 1787134803 ZRUIBKGSIAPUSA-UHFFFAOYSA-N 456.521 5.262 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)CCC2)cc1 1787888504 SXGWHQMHECUNBP-UHFFFAOYSA-N 499.468 5.082 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4nccc5[nH]ccc45)cc3)CCC2)c1Cl 1788466055 LZKGGOZBGLCREE-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)C[C@@H]21 1788734843 IXMOJQNXPAKZCA-VJBMBRPKSA-N 499.051 5.088 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)C4(F)CCCCC4)cc3)CCC2)ccc1F 1789161278 PMWXCEVGISSEEJ-UHFFFAOYSA-N 451.517 5.046 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc4nccn4c3)CCC2)cc1)c1ccccc1 1789600619 QLDZGZATTGFMGO-AREMUKBSSA-N 476.580 5.279 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4OCCc5ccccc54)CCC3)cc2)cc1 1790705308 RWSYXGFDJXPIRV-HHHXNRCGSA-N 479.580 5.204 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3n[nH]c4cc(Cl)ccc34)CCC2)cc1 1791249635 WOXMUBDIZNJMBR-MRXNPFEDSA-N 450.970 5.105 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1791300199 HWOLPSWIDKDHSN-UHFFFAOYSA-N 451.473 5.301 30 20 JKED CO[C@](C)(C(=O)NC1(c2ccc(NC(=O)[C@H](C)S)cc2)CCC1)c1cccc2ccccc12 1791571785 QULPNQDBUNJDJR-QYBDOPJKSA-N 462.615 5.154 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cncc(C)c3)CCC2)cc1)c1ccc(O)cc1 1791642056 XDESCTLQHZKRLM-QFIPXVFZSA-N 467.569 5.041 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2nc(C)sc12)c1ccccc1 1797383377 KMQFDWFGTLUACZ-BJESRGMDSA-N 471.626 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CNC(=O)OC(C)(C)C)c(C)c1 1799262572 SXPYFOQNYOWUGC-ZFFYZDHPSA-N 495.664 5.040 30 20 JKED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1799280135 OGPYKQFRPNSDKO-MVWVFHAYSA-N 492.582 5.596 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2ccccc2)cc1 1799549311 JDSDSUFVMXWCDT-QEIWAGNOSA-N 479.580 5.235 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)c1 1802141755 WAJKOTUVVXGKGM-WKCHPHFGSA-N 482.411 5.157 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1802502674 GFANPWGAYPSQQK-URXFXBBRSA-N 459.590 5.448 30 20 JKED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1802692444 OAUQRVVRCIJKOI-GJZUVCINSA-N 498.652 5.243 30 20 JKED CCCCCc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CCC3)[C@H]2c2cccnc2)cc1 1802996066 UBJDGWSVCVRQFI-ITFDSAROSA-N 484.644 5.227 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC3(CCCN(C(=O)C4(c5ccccc5)CCCC4)C3)CC2)c1 1805240672 NRQUGDALQZLSSH-UHFFFAOYSA-N 473.592 5.054 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)CC2)C1 1805457656 LDJLRSUWMYJRBK-UHFFFAOYSA-N 474.001 5.170 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C1 1806062577 BRXNWQKTBQUZDE-DEOSSOPVSA-N 466.647 5.278 30 20 JKED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1806621086 MAVFDWCUWWFUDE-HLADLETHSA-N 499.570 5.352 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(F)c(F)c3)CC2)[C@H]1c1cccnc1 1807334200 QUWZIYMGUHKGOP-HYBUGGRVSA-N 481.587 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1809204751 MVTLCPQEXHVMAT-NFBKMPQASA-N 479.621 5.747 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809445420 MXWSETFUJRVEJU-KOSHJBKYSA-N 466.006 5.073 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1810181998 NLTLDZLGIWPHKE-DFIYOIEZSA-N 477.008 5.304 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810267073 GLEWLBGJNJRZDO-BKMJKUGQSA-N 496.127 5.414 30 20 JKED Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1Cl 1810277459 QGMBQSKGGUGRJJ-GJZUVCINSA-N 496.127 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810458954 UMXQOTCLKKHJIG-RRPNLBNLSA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1810500020 KVDWNUKIRGVTJR-DVECYGJZSA-N 479.024 5.528 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)c1 1811800413 IAIXEAQLGROHIV-URLMMPGGSA-N 486.575 5.254 30 20 JKED Cc1ccc(C)c(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1813773152 NQQSCRPESOAWDP-IGKIAQTJSA-N 475.709 5.069 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)oc2ccccc12 1813866379 QHMJLEBRDXVUIZ-MATUZCBOSA-N 492.579 5.397 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccccc2OC)[nH]n1 1814440117 KRKKHUTXQLSBQR-OAQYLSRUSA-N 452.599 5.036 30 20 JKED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccc(Cl)cc1 1814657586 GVIGDZQCZNIHTL-ONHSTZBPSA-N 497.020 5.360 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1815658639 GHAZTSYQWPDGQX-DEOSSOPVSA-N 476.646 5.415 30 20 JKED COc1ccc(F)cc1-c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC#N)n[nH]2)c(Cl)c1 1816747121 HHXUYIGYPMFGIO-OAQYLSRUSA-N 495.942 5.097 30 20 JKED Cn1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc2ccccc21 1818438874 GAIBUADLMIZNSC-NRFANRHFSA-N 486.963 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)[nH]n1 1819305300 HRSOOVPEHOMTPL-GCJKJVERSA-N 478.984 5.081 30 20 JKED Cc1csc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819384567 RHCQSIHCVWWTCM-LJQANCHMSA-N 456.688 5.137 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cccnc23)[nH]n1 1819384953 GGHDBNVRGMPJKY-HSZRJFAPSA-N 487.680 5.315 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccncc34)[nH]n2)c1Cl 1820221603 YIVOMYSFLGONNA-QFIPXVFZSA-N 484.947 5.103 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)cc1 1820233075 XFFTWAQREQCFEL-QFIPXVFZSA-N 487.947 5.495 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1)c1ccc(Cl)cc1 1820547373 QIORTIHALPFSPS-ZHRRBRCNSA-N 461.953 5.044 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)n[nH]2)cc1 1821048558 LRXDBQGUTRXXAB-AREMUKBSSA-N 491.551 5.693 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c(Cl)c1 1821277419 ZWJUSDWDVTZNBJ-HSZRJFAPSA-N 473.964 5.432 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821364139 HOOIAETVIFMIOA-XMMPIXPASA-N 476.527 5.464 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821429466 WTCGIUHYAOVWCO-QVKFZJNVSA-N 451.958 5.129 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)[nH]n1 1821986929 TZLMUCQEINMAMA-QFIPXVFZSA-N 481.547 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)c1 1822962058 HMISUPYQDMQUFT-HKQXUTBISA-N 459.594 5.313 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823215807 GAYXWZMVPOEQFY-HRAATJIYSA-N 491.979 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)[nH]n2)c1 1823216848 OZCWSXXTLVEEMT-HOYKHHGWSA-N 473.552 5.115 30 20 JKED CSc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1O 1823217552 MKVXLFRWCSHMQB-IIBYNOLFSA-N 489.601 5.084 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)[nH]n2)CCC1 1823380726 OJRDBYMKXTYJBB-GOSISDBHSA-N 493.917 5.011 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccc(Br)cc2)CC1 1823608296 CRHLCSTWSWDYOI-CVDCTZTESA-N 491.470 5.050 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1823751233 MVFBCJRBSLMIFW-QFIPXVFZSA-N 491.717 5.292 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)cc1 1823898566 JWJVNNXEMMUERQ-XMMPIXPASA-N 467.972 5.092 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CC=CCC3)CC2)cc(C(F)(F)F)c1 1824105217 JAJYUVFXMRYDGD-OFNKIYASSA-N 473.539 5.167 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)ccc3c2OCO3)CC1 1824142142 GPKYZLXEMLYXDS-NRFANRHFSA-N 473.013 5.070 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1824508330 JJXOMTPGZVSMCK-NVQXNPDNSA-N 476.617 5.303 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 1824888351 BFTBSPYGVXPRKB-FQLXRVMXSA-N 491.720 5.287 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1824958892 IPAKPNGJWTVHTM-OAQYLSRUSA-N 485.616 5.240 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2nccs2)CC1 1826113153 VXGFSHWNVBLAOK-SANMLTNESA-N 483.637 5.090 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1826947461 NHSWHROIUCVAHT-YIXXDRMTSA-N 479.709 5.663 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cscc2C)CC1)c1ccc(O)cc1 1827809233 NPBVYFNDVUNCDD-OZXSUGGESA-N 478.658 5.193 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)CC2)c1 1827922086 ROFRWENCJQMAHF-RUZDIDTESA-N 484.625 5.229 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CC2)C1 1827992779 ZVIHVMYZSDWNSX-VWLOTQADSA-N 494.035 5.727 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)CC2)c1 1828335772 XJCNINQJQZYRBW-FDDCHVKYSA-N 474.630 5.404 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)CC2)c1 1828340067 WZUQPPDEXIVPOB-RUZDIDTESA-N 476.020 5.177 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)nc2)CC1)c1ccccc1 1829029329 BHLPTRQJGVGPLC-RPBOFIJWSA-N 478.036 5.166 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829571869 HKMNYWAIPAQRSN-ATIYNZHBSA-N 493.673 5.616 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c1Cl 1829975049 FIKPPGLTHDFIFA-JOCHJYFZSA-N 470.400 5.412 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 1830299268 ZOVHRNKLGPHFOU-ZQRMPTRQSA-N 491.717 5.148 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)[nH]c12 1830628468 HLUNTWRZIMXJFY-SANMLTNESA-N 468.601 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1830678819 TXMVRRNWUUXGCC-RUZDIDTESA-N 462.638 5.302 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)s1 1830717356 LJKYBPXENQBMMI-PVOYRIJTSA-N 465.594 5.014 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c(Cl)c1 1830723053 VMJKEHUMIHSLAX-XMMPIXPASA-N 475.976 5.505 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1)C(F)(F)F 1831450242 JNPUCGWFENEXIO-QHCPKHFHSA-N 489.538 5.042 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1831746853 KGYMNPRFVNDOFE-BJKOFHAPSA-N 489.701 5.046 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H]2CCOC2)CC1 1832455803 PTKXZBWEHIAYBA-FIBWVYCGSA-N 498.667 5.136 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1832634144 OHNYRMLDSPUDLO-AMGIVPHBSA-N 487.644 5.486 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc(C(F)F)c3)CC2)c1 1832634621 NQSSJJVYLKTDKZ-MHECFPHRSA-N 480.559 5.193 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1cc3c(Cl)cccc3s1)C2 1844252783 JWZVCFWLGZWESG-UHFFFAOYSA-N 473.114 5.423 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3cc(F)ccc3OC)cc1Cl)C2 1846012055 CSHSKCQVKIKOAD-UHFFFAOYSA-N 492.925 5.183 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc(CC)cc2)c1C 10174404 QROZLRICZSKHMQ-UHFFFAOYSA-O 478.638 5.271 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 10178748 LLOVSJCHHWVSJO-UHFFFAOYSA-O 455.047 5.813 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)C2CCCCC2)nnc1-c1ccc(Br)cc1 10610439 RUJYLRPFMHTCEZ-OAHLLOKOSA-N 463.445 5.165 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc(F)c(Cl)c1 10759805 SCFPFMMQHKKNOV-UHFFFAOYSA-O 470.033 6.677 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1F 11083016 YMKFSDYLGNPQEJ-UHFFFAOYSA-O 457.541 6.048 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccc(SC(F)F)cc2)c1 11114332 YIIXKMPCAAYQCZ-UHFFFAOYSA-O 463.620 6.326 30 20 JKED CCOc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3OC)=C2C)cc1 11206880 LKDFWLJSTNGAHU-AREMUKBSSA-N 498.608 5.314 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc2)cc1 14497362 ZSUGWJBIAOIMAS-UHFFFAOYSA-N 488.594 5.068 30 20 JKED CCCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nnc1-c1ccncc1 16664875 URZAXCPMJNNNLY-UHFFFAOYSA-N 477.638 5.276 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 16732868 QWIGBQSIKFPKAV-ZDUSSCGKSA-N 454.577 5.067 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n(Cc2ccco2)c1C 17225433 WHIJEIWNTLQJQX-UHFFFAOYSA-N 489.601 5.696 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1cccnc1 18405350 NEDNDCYGGFLCDI-GOSISDBHSA-N 482.613 5.773 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2c(C)cccc2C)cc1 22693896 ONBWVRAWDKFKBU-UHFFFAOYSA-O 467.605 6.824 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)NCCc2ccc(OC)cc2)cc1 22801540 GKVDTSFLZIXXBF-UHFFFAOYSA-O 460.044 5.031 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1C 23518466 UTXBUSCMEUMFLV-OAHLLOKOSA-N 460.962 5.263 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 23998854 REQZTHBHXVBJME-LJQANCHMSA-N 491.661 5.699 30 20 JKED CCOc1cc(N[C@@H](C)C(=O)Nc2ccccc2C#N)c(OCC)cc1NC(=O)c1ccccc1 24162151 DTNOSGXCFUVKQE-SFHVURJKSA-N 472.545 5.047 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(C(C)(C)C)cc2)c1C 28695770 DTJODDAUYDMICL-UHFFFAOYSA-O 498.672 6.623 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)cc1 29201395 KNMLNJIFAMCQQG-UHFFFAOYSA-N 467.529 5.108 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)c2)c1 32288949 XVOXNDCLGOVVQD-QFIPXVFZSA-N 473.960 5.282 30 20 JKED Cc1nc(N2CCC(CC#N)CC2)c2c(C)c(C)n(-c3c(C)cc(Br)cc3C)c2n1 91302048 BFMXVFZKPNCHRF-UHFFFAOYSA-N 466.427 5.855 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3cccs3)cs2)nnc1-c1ccccc1F 195677353 JMUYKHHMQOFYLK-UHFFFAOYSA-N 457.581 5.186 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(C)c1 255504637 ZLWXMZOJFBTZMT-GOSISDBHSA-N 460.397 5.128 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)c1c(F)cc(F)cc1F 476644485 UQHABIKWVRIEJL-GFCCVEGCSA-N 467.900 5.477 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1Cl 480126923 UEACDOGVTFVVER-GGAORHGYSA-N 459.933 6.093 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 481199668 OLEUXHFDEQMVKS-UHFFFAOYSA-N 454.555 5.294 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 503696732 FKMVKTFYYGAODQ-AREMUKBSSA-N 496.611 5.810 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cs2)cc1 515654705 CAWVGGJWFPNYDX-UHFFFAOYSA-N 455.539 5.716 30 20 JKED Cc1sc2nc([C@H](C)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)nc(O)c2c1C 515736828 WGNOWVCBGBIPOC-ZDUSSCGKSA-N 450.951 6.504 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 518150557 GBLUSLREAZHZMV-UHFFFAOYSA-N 497.564 5.184 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)n1 518661542 LQTJAGNTBCPNLF-CYBMUJFWSA-N 461.362 5.301 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)cs1 518668429 CCKCIUIIVAEOCZ-UHFFFAOYSA-N 493.601 7.021 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(OCc2ccccn2)c1 519080765 NUZKRRGAJWKHCA-HXUWFJFHSA-N 492.535 5.140 30 20 JKED Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1NC(=O)c1ccccc1I 520464318 OBVQXTYQCDDKQD-UHFFFAOYSA-N 495.320 5.170 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 520857878 CEJCRKLQGLINNM-SFHVURJKSA-N 451.592 5.343 30 20 JKED Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1F 521725445 DAWCZLQFBFVBAV-INIZCTEOSA-N 483.590 5.439 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)Nc3ccccc3SC[C@H](C)C#N)cn2c1 521790059 QJFCRAOROXVOFW-LJQANCHMSA-N 456.571 5.726 30 20 JKED Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 522121494 CZAUKONNSHSVLC-UHFFFAOYSA-N 484.581 5.178 30 20 JKED COc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Br)c1 522246158 HPFYTNFKTONXNP-UHFFFAOYSA-N 451.320 5.355 30 20 JKED CCCC[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 522957325 UQYNDZQSPDHYLF-XMMPIXPASA-N 461.610 5.407 30 20 JKED C=C(C)COc1cccc(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)c1 524172232 BYLDRJFROBPASV-UHFFFAOYSA-N 469.632 5.493 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 553320026 MWCGTGXWPCAHDL-WBVHZDCISA-N 467.513 5.003 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 589733765 VPVTXADRUZCUEC-UHFFFAOYSA-N 461.587 5.109 30 20 JKED CC(C)c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1Cc1ccco1 589949398 WHFGBNZQDVCVKL-HNNXBMFYSA-N 469.636 5.222 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2)c1C 603626444 YCRXGRZTIWEFJL-UHFFFAOYSA-N 498.564 5.416 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)cn2)cc1 603764152 FTGBJUDQVLADPB-UHFFFAOYSA-N 494.894 5.452 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 603917239 IFWHEMYSGNXVFV-NHCUHLMSSA-N 499.615 6.121 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 604327290 HHOFJNSHKNINGW-ROUUACIJSA-N 470.413 5.777 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)CC1 604562028 NOZVBUTXFFZWLI-UHFFFAOYSA-N 479.993 5.582 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 608995783 ZKQVKUMLUKBVCW-VWLOTQADSA-N 496.394 6.244 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccccc1C(F)(F)F 609078488 UGMACXGNGKFJML-UHFFFAOYSA-N 453.464 6.128 30 20 JKED N#C[C@@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(OCc2ccccc2)cc1 609171848 GLCZVEAURCPPNV-HHHXNRCGSA-N 487.515 5.061 30 20 JKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)n2)cc1 609378466 JXOCLWBHDNQSCK-UHFFFAOYSA-N 488.535 6.456 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCN1CCN(c2ccccc2Cl)CC1 609438605 MLIAFZXSLFBLRZ-IBGZPJMESA-N 472.058 5.068 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccccc1F 613387498 IQEUHUQNRUVXEO-OAHLLOKOSA-N 495.605 5.522 30 20 JKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1[C@H]1COc2ccccc2O1 614382371 CWQBWGHLNDQPKU-XMMPIXPASA-N 484.581 5.521 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nnc1-c1ccccc1 614501032 OXNKQTJGXUATKW-UHFFFAOYSA-N 482.034 6.218 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nnc1-c1cccc(C)c1 617936753 XMXXVNDUTYAMNP-HNNXBMFYSA-N 457.397 5.321 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 726394455 VTYKFOKHFBTPPG-IFXJQAMLSA-N 497.514 5.230 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(C(C)C)cc1 726399269 NAWHDZLQZIKABJ-KOSHJBKYSA-N 495.645 5.398 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC)c(F)c1 726412157 QGTHZDDSXUHNQG-LJQANCHMSA-N 463.962 5.166 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)cc1 726414659 DBPBBPUBDSKPMN-RUZDIDTESA-N 498.608 5.506 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)n(C)c2C)[n+]2ccc(C(CC)CC)cc2)c1 726573028 WKHDVWMUZMGMER-UHFFFAOYSA-O 458.651 6.138 30 20 JKED CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(OCc2ccccc2C)cc1 727778056 ZSLZCQFWGJPLIN-UHFFFAOYSA-N 499.640 5.082 30 20 JKED CCc1c(C)sc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)c1C#N 727790818 TXFAVQOCQAWPNI-UHFFFAOYSA-N 488.034 5.217 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccn(-c2ccccc2)n1 728119226 LSGYWPUJXXPKFT-UHFFFAOYSA-N 451.530 5.295 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c1C 728424292 YBVAXWIBXPWABM-DVECYGJZSA-N 483.597 5.292 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(c3ccccn3)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728699606 VKJWMCJAZUXNMP-YHGIWUNRSA-N 490.563 5.220 30 20 JKED CCCC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OC)cc1 728758148 SKKFSISXCRDSQB-UIOOFZCWSA-N 455.558 5.337 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729144763 FIIYNSYMEOOIDU-LADGPHEKSA-N 483.609 5.222 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(C)C)c1 729144768 FMNHKUZGQSWNSI-NRFANRHFSA-N 478.643 5.735 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCc2scnc2C)ccc1Cl 729407307 ARMMIBMRYKHUHN-UHFFFAOYSA-N 496.441 5.070 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cnn(CC)c1 729631063 FIBWBJPMJMCNHA-LJQANCHMSA-N 495.571 5.318 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccco3)C2=O)c1 730537825 TYWVSGOUONKPRK-QFIPXVFZSA-N 465.550 5.504 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 730942103 DVSQBFZVHNNKOM-KSFYIVLOSA-N 495.004 5.465 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cccc(OCc2ccccc2C#N)c1)CCCCC3 731315085 VFEUQTPXVMSOJK-UHFFFAOYSA-N 468.582 5.368 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1Cl 731315228 BAAAVIRWKPALFR-FQEVSTJZSA-N 497.001 5.139 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c1 743525632 JHSRUUGIVUNHQJ-GOSISDBHSA-N 476.371 5.019 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)ccc1OC(F)F 744761496 KHZJAZHVBIWCIS-UHFFFAOYSA-N 462.522 5.070 30 20 JKED COc1cc(C=NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)ccc1OCc1cccs1 744798154 UPYQBSWJVUKJAT-UHFFFAOYSA-N 497.576 5.165 30 20 JKED O=C1/C(=C\c2cccc(OC(F)F)c2)CN(c2cnccn2)C/C1=C/c1cccc(OC(F)F)c1 747064386 VAKILDDRLBWWIN-JZAWIKSFSA-N 485.437 5.236 30 20 JKED C#CCN1CCC(C(=O)N(CCCC)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 747624003 PIKRZLJCRLBQNR-UHFFFAOYSA-N 450.435 5.595 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)nn1-c1ccccc1Cl 748483517 UIIFKWFYZXYBSG-SFHVURJKSA-N 457.921 5.158 30 20 JKED CCCOc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)cs2)cc1 750278217 WPOIEOGPAYEFHR-CQSZACIVSA-N 469.950 5.308 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N([C@H](COCC(C)C)c2ccco2)C1=O 750911309 PFXBVHBZRNLAJY-UYAOXDASSA-N 492.041 5.031 30 20 JKED Cc1noc2nc(C(C)C)cc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)c12 813374955 METTVSQSEITTNB-CQSZACIVSA-N 466.563 5.041 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3ccccn3)C2=O)c1 837834133 AGNIRMNKSDQCKR-WZONZLPQSA-N 474.586 5.120 30 20 JKED N#Cc1ccc(N2CCC[C@H]2c2nc(-c3cc(Br)cc(Br)c3)no2)cc1 904916649 VRHZZGUAEFKWCT-KRWDZBQOSA-N 474.156 5.475 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C)c3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 914445752 DDJFORSSUWMFAV-WIJPHRNOSA-N 467.569 5.237 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1 915101938 OTBHNVZYPAGXCB-HXUWFJFHSA-N 480.014 6.226 30 20 JKED COc1ccc(-c2cc(C(=O)N3CCCN(c4ccccc4C#N)CC3)c3ccccc3n2)cc1OC 915648484 GEMMVVAERPRWBP-UHFFFAOYSA-N 492.579 5.143 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(OCc3ccncc3)cc2)cc1 915946965 XGXSLQSLZUHNCC-UHFFFAOYSA-N 473.602 5.300 30 20 JKED CCOc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CN[C@H](CC)CO)c3C#N)C(C)(C)C2)cc1 916572165 WGTOAYVGIUFMPL-WHXUGTBJSA-N 479.646 5.096 30 20 JKED Cc1c(Cl)cccc1-n1c(SCC(=O)[C@@H](C#N)c2ccccc2)nnc1-c1ccncc1 916622872 PHEVZDUPFUWEHP-IBGZPJMESA-N 459.962 5.260 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 916915288 BKTQMWNPLXQLFL-HXUWFJFHSA-N 481.512 5.249 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1Cl 916938286 LSEDWDWPTZYKHR-HXUWFJFHSA-N 457.917 5.313 30 20 JKED CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916973941 AMWXBSCWYHCMTO-NHCUHLMSSA-N 464.566 5.102 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ncc(C(F)(F)F)cc2Cl)cs1 917532742 XERJHIUWAXQBRL-UHFFFAOYSA-N 474.295 5.994 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(Cl)s1 917702368 FWZPASHXOCQWNB-LJQANCHMSA-N 498.992 5.573 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc(S(C)(=O)=O)cc2)C(=O)c2ccccc2)c(Cl)c1 918155633 IEWFSBFPZVCAMA-RCCKNPSSSA-N 467.974 5.265 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC 918262685 BHUAQSXALDUJOI-JTHBVZDNSA-N 461.949 5.210 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OCC(F)(F)F)cc1 920279309 ZRKIDJOMQVHQCX-GAJHUEQPSA-N 453.464 6.166 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccnc2)ccc1Cl 920318890 QZLFPUBOSNDMMX-MRXNPFEDSA-N 490.412 5.261 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2c(C)noc2C)cc1 920356382 UDKZENYCAIKMJL-VWLOTQADSA-N 498.608 5.914 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cc(C)on3)C2=O)c1 920357809 WOIFXGIXTCHIQX-NRFANRHFSA-N 482.993 5.414 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(Cc2cc3ccccc3s2)C1=O 920479169 OJKLRLMSHOGWDB-SFHVURJKSA-N 493.532 5.068 30 20 JKED N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 920804649 XRKXYMFPVRXEAB-AWEZNQCLSA-N 453.539 6.287 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 920869016 MKMDCSXMJXQDER-FZKQIMNGSA-N 498.407 5.375 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1sc3ccccc3c1Cl)C2 1779271059 MGBGSAJKQXZVSE-CNDUHNDJSA-N 487.065 5.451 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3cc(F)ccc3s1)C2 1779511433 DEZLMHUOHGAONY-ATIYNZHBSA-N 472.626 5.160 30 20 JKED COc1ccc2[nH]cc(/C=C/C(=O)NC3(c4ccc(NC(=O)[C@H](S)C(C)C)cc4)CCC3)c2c1 1786395255 UUNTYMUVYDZCQY-MYGGQEDLSA-N 477.630 5.278 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)[C@H](C3CCOCC3)CN4)cc2)CCC1 1787948009 KNWIMATUOUOZQE-MHZLTWQESA-N 499.655 5.564 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787949876 PPFDVUMGXSBSKZ-HTNSFKOASA-N 496.611 5.211 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc[nH]4)cc3)CCC2)ccc1Br 1788191652 QAAMFEBUTKSRIO-UHFFFAOYSA-N 491.389 5.029 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc2)CCC1 1788989434 CDDXVFNATXCBHP-MUFRIFMGSA-N 486.959 5.348 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3(F)CCCCC3)cc2)CCC1 1789158492 YMVASYYSOPTTGH-OAQYLSRUSA-N 487.616 5.262 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789995141 ACTBUXALKQPFMU-INIZCTEOSA-N 459.571 5.494 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)on1 1790161182 WVHCJAZQYKZSKF-UHFFFAOYSA-N 456.546 5.050 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(Br)nc3)cc2)CCC1 1790347706 IWXGLQVABGDFCP-OAQYLSRUSA-N 482.422 5.289 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)CCC2)cc1 1790511039 IVQOLXPWGSMAJE-UHFFFAOYSA-N 499.611 5.351 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)CCC2)cc1 1790564677 LCEQSOFNGJPVME-KRWDZBQOSA-N 494.979 5.544 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc(Cl)cc1[N+](=O)[O-] 1790774775 RLFOZINQGKDMDY-MZJWZYIUSA-N 494.935 5.016 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3N3CCCCC3)cc2)CCC1 1790783638 GDFAHYHMDITTKY-UHFFFAOYSA-N 475.633 5.407 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)CC5)cc3)CCC2)c1 1790881962 XWBDAJJONZWVCJ-UHFFFAOYSA-N 477.564 5.068 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3cncc(C(F)(F)F)c3)cc2)CCC1 1791772615 UUBDAWBULAEBKV-QGZVFWFLSA-N 459.512 5.379 30 20 JKED CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1)N(CC)CC 1792123081 IDHJBNKODORFFB-CJFMBICVSA-N 460.622 5.182 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(C(F)(F)F)cn4)CCC3)cc2)c1 1792123678 OQVUEJSOUKBPQQ-MRXNPFEDSA-N 493.489 5.184 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC(F)(F)C4)CCC3)cc2)cc1C#N 1792169339 FJSIMSZZJKZICW-IBGZPJMESA-N 481.543 5.529 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CC(C(F)(F)F)(C1)C2)c1ccc(C#Cc2ccccc2)cc1 1793711383 AGBJDRXMDURTMW-GNVJUWQVSA-N 492.541 5.071 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(C#N)c3)C4)c2c1 1796430162 PPNBFOSNNDMBBI-KOUNCHBCSA-N 485.584 5.077 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)C[C@@H]1C 1799950089 WRBSHSJSDYABND-CDPJOAOYSA-N 491.717 5.315 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Br)c(C#N)c2)CC1 1800634676 QWFNFEZNHPAOIC-UXUYGWKFSA-N 486.454 5.179 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc(F)ccc4s2)C3)c(Cl)c1 1800689305 YSWBAAUAGPXXJN-BCDXTJNWSA-N 467.953 5.131 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@@H]1c1cccnc1 1802501122 HLIAXSWOBJZVLS-DMGXODIQSA-N 485.550 5.211 30 20 JKED Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)c2ccccc12 1803687807 SEZDNQXZCHBXPC-VPIUVCPKSA-N 479.624 5.660 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCCC2(F)F)[C@@H]1c1cccnc1)c1ccccc1 1803731695 ACHOTZWXUIZMMJ-RSYZFUPGSA-N 493.598 5.110 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(Cl)cncc4s3)CC2)C1 1804859114 BMZDYFIMEIMCGE-UHFFFAOYSA-N 474.070 5.787 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808488416 YVRVOLZQCSMMOH-CTIGNXTNSA-N 477.992 5.527 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1809201008 PXBQDMBKEDFAIK-NZQKXSOJSA-N 479.621 5.747 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1809201010 PXBQDMBKEDFAIK-REWPJTCUSA-N 479.621 5.747 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1809549662 RXYJCXGOSBZVDI-WUEDSLEZSA-N 480.052 5.537 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1810171696 FNKXKTOKFOVALY-GKRYNVPLSA-N 467.613 5.252 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1810183561 WRAHJZYTNMLICJ-PMKNUOBQSA-N 451.655 5.318 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCCC2(F)F)[C@H]1c1cccnc1)c1ccccc1 1810440723 KBFGFNYCXLUJID-SSUZURRFSA-N 493.598 5.110 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCC2)[C@H]1c1cccnc1)c1ccccc1 1810443910 NJNJCTNJRTWENK-BYXYOVQASA-N 469.629 5.031 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1811303522 JAMSGCHUJJVWLZ-IBVKSMDESA-N 470.598 5.187 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1 1811733756 WFBONWRTRMZGLW-ATIYNZHBSA-N 478.612 5.409 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1812954619 XDWVTWJBPKOFIC-ZRRKCSAHSA-N 491.701 5.488 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@@H]1c1cccnc1 1812955820 DVKWDFZUDPBAIY-NLFFAJNJSA-N 498.454 5.320 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)c2[nH]1 1813865932 KDXMIFJEFFJPFV-MTICYMICSA-N 491.595 5.132 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)[nH]n2)C1 1814397724 WCMAZBIDNWZGMG-HRAATJIYSA-N 474.527 5.277 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938682 DCEYZGXPRBWBIB-OFNKIYASSA-N 475.058 5.414 30 20 JKED CC#CC[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4nc(C)ccc4o3)sc2C1)c1ccccc1 1815868008 YSQDYZPUZUCJPI-VQTJNVASSA-N 498.608 5.016 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)[nH]n1 1819309139 NBSNXDSXVRGLEN-UPVQGACJSA-N 494.636 5.210 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820092289 SGYRESGHAAGUIT-IBGZPJMESA-N 493.514 5.668 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)cc1 1820586547 WBEZKESMFZDQAR-JOCHJYFZSA-N 495.505 5.239 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1Cl 1821280038 NPUGBGSSJOSLMU-FQEVSTJZSA-N 498.370 5.216 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]n2)cc(C(F)(F)F)c1 1821309785 BFDPAHBUNUSVNV-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821384209 FKKQYLGLOUUGCS-FDDCHVKYSA-N 477.996 5.686 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1821987711 OJQBXEXHNRCGMD-HNNXBMFYSA-N 475.298 5.373 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1822584355 LCDDOTFBRKMSHL-HXUWFJFHSA-N 451.958 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cncc(C(F)(F)F)c2)n[nH]1 1822653330 KDJLKWMIQVSPAW-HXUWFJFHSA-N 491.558 5.441 30 20 JKED CC1(C)CCC(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(CC#N)cc2)CC3)CC1 1823098165 IPBRBZDFFCESFY-HXUWFJFHSA-N 464.635 5.041 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823211454 MLABZTTXFQRJBB-GBXCKJPGSA-N 485.588 5.039 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1823812325 QPOYOUITANYTLI-DEOSSOPVSA-N 484.427 5.341 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1823886766 OPDQYTBLKAMGGQ-VWLOTQADSA-N 483.616 5.013 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)ccn1 1824051498 MPSOLHIURQWFCQ-AREMUKBSSA-N 486.660 5.117 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1824141550 ULXPQUQEPFEZFV-HHHXNRCGSA-N 461.650 5.489 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1824960233 FQZICSQOYCXZMY-UKILVPOCSA-N 477.114 5.619 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826510564 CBTIHZIZSFWBPX-FQEVSTJZSA-N 472.498 5.079 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)COCc2ccccc2)CC1)c1ccccc1 1826696463 DUKCQFDBMLHGDO-FQLXRVMXSA-N 486.656 5.020 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1)C(F)(F)F 1827332432 YCRNUIRRDGVLRD-QHCPKHFHSA-N 485.550 5.409 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1827517803 PSKFAGDZBOXCDD-ZBLYBZFDSA-N 499.655 5.574 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)CC1 1827728668 BZCAEVTZESHTIQ-ISKFKSNPSA-N 492.689 5.515 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1828826761 BMCQGZNFRIMJLM-RSXGOPAZSA-N 460.622 5.078 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1828906783 HRYDHOFHMMOXCM-HHHXNRCGSA-N 489.736 5.519 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 1828906807 IVSASLCCUTZEGH-DEOSSOPVSA-N 474.668 5.249 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c1 1829442849 VVPWLOXTSFUVTG-JOCHJYFZSA-N 470.038 5.139 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(ccc5ncccc54)s3)CC2)C1 1829575839 AXPFIYOEVRQMSO-DEOSSOPVSA-N 473.642 5.649 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829693216 XGOQSCLNEJZVBX-XMMPIXPASA-N 481.999 5.135 30 20 JKED COc1ccc(C2(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)CCC2)cc1 1830302701 FSIDTIXMHXGNST-MUUNZHRXSA-N 499.655 5.116 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)c1 1830979749 LRXSDNLHDUYDGM-VWLOTQADSA-N 495.583 5.175 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C(F)(F)c2ccco2)CC1 1831144576 WFJVLMGEVXJWJQ-OAQYLSRUSA-N 478.656 5.042 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](C#CC)c2ccc(O)cc2)CC1 1831924741 VDZLYJFKPZOHAT-ITHJLQSDSA-N 476.661 5.277 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832198655 RLGOYDOEEGQOAR-DQMLXCSESA-N 479.741 5.156 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)ccc(F)c1F 1832616346 LPWYXVMXOPYASG-RUZDIDTESA-N 479.571 5.011 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832712771 HSNQNTONCGBYOA-HRAATJIYSA-N 454.508 5.290 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4sccc4s3)CC2)CC1 1838310709 GMLIAWKSODSOAW-UHFFFAOYSA-N 474.692 5.567 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1sc3ccccc3c1Cl)C2 1844252809 MLPQOSBTDQPIHI-UHFFFAOYSA-N 473.114 5.423 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1844724481 RMNYWHQEXVTIKV-SFHVURJKSA-N 493.570 5.371 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc4c2oc2ccccc24)C3)c1Cl 1844736126 SPVPVBPDQYHVOT-UHFFFAOYSA-N 469.928 5.242 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CC=CCC1)C2 1845227248 CORHQDIASPUWNX-GOTSBHOMSA-N 489.701 5.190 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC#N 4422577 GHESFZFIPDXCCO-YVLHZVERSA-N 450.463 5.022 30 20 JKED COc1ccc(OC)c(NC(=O)C2=C(C)N(c3cccc(C)c3)C(=S)N[C@@H]2c2cccc(C#N)c2)c1 10355352 QNPDDUAQJLHTPB-AREMUKBSSA-N 498.608 5.232 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10755856 AQEQWQDJUQHOGK-UHFFFAOYSA-O 458.922 5.288 30 20 JKED C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(Br)cc1 14081384 BQMJHAYTBPVZGS-UHFFFAOYSA-N 485.451 5.749 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCCCCCC2)ccc1Cl 15992850 RSVZXADKYWPORT-UHFFFAOYSA-N 481.445 5.781 30 20 JKED C=CCN(C(=O)COC(=O)c1cccnc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18188535 VLUMRMNMSJIOIP-UHFFFAOYSA-N 482.776 5.541 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1OC 21129648 MQJQLNIJBRLDTL-AWEZNQCLSA-N 473.396 5.022 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OCC)c(OC)c3)n2)nnc1-c1ccoc1C 22150263 YFPQORRVMSYVSN-UHFFFAOYSA-N 468.604 5.856 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731001 CLLYVZLTGUQMBZ-UHFFFAOYSA-O 487.595 6.456 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(O)c2)cc1 22732657 NRWMNSIMPBSHHS-UHFFFAOYSA-O 456.385 5.056 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22800668 VADOAWHSTOIISY-UHFFFAOYSA-O 480.053 5.286 30 20 JKED CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)cc2)cc1 22885672 XVZLDZUSQBOSKT-HXUWFJFHSA-N 470.525 5.080 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCc3sccc3C2)nc2sc(-c3ccccc3)cc2c1=O 23405496 NTLFTLXHOFAVHD-MRXNPFEDSA-N 493.679 5.438 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccc(C(C)(C)C)cc1 23998916 PJKSTXJEKICRQE-QGZVFWFLSA-N 480.634 5.565 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC2CCC(C)CC2)nnc1-c1ccc(Br)cc1 24015756 VNFVMQLIUFXUOA-CSLYMUCUSA-N 463.445 5.069 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2sc3c(c2c1=O)CCCC3 28380778 GBTXUPZOISFIKP-UHFFFAOYSA-N 463.987 5.046 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 110014431 XPHAZHMTFIQJIC-ZDUSSCGKSA-N 487.375 5.933 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1Cl 117249412 GQTOTKUVSFERDD-FQEVSTJZSA-N 457.877 5.342 30 20 JKED C#Cc1cccc(NC(=O)CNC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)c1 195709889 HNRAYRNOYXBHHW-UHFFFAOYSA-N 458.514 5.214 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 303390936 OSIMZWDIPLEVQY-CZUORRHYSA-N 471.431 5.039 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 409820396 ZXMKJVYKOVHNPH-UHFFFAOYSA-N 480.421 5.609 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)C2)c1 488022837 IJNQETNKHMPRPR-RUZDIDTESA-N 484.575 5.479 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 490745001 JCCOYIADCRTUHH-HSZRJFAPSA-N 453.970 5.316 30 20 JKED CCc1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1ccccc1Cl 499187930 FFTSDMOBFSSJQS-LBPRGKRZSA-N 469.904 5.375 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCc4cc(Br)cc(F)c43)o2)cc1 502756769 VRFAWVAAOLYOSV-UHFFFAOYSA-N 455.283 5.225 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@H]3c3nc(-c4ccccc4)no3)o2)cc1 505330870 MVDBJLVWPXTPHY-QFIPXVFZSA-N 454.486 5.148 30 20 JKED CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@H](C)c1ccccc1Br 506478704 UXQXBQMRKYZBKD-MRXNPFEDSA-N 472.383 5.046 30 20 JKED C=CCn1c(SCc2csc(CC(=O)OC(C)C)n2)nc2scc(-c3ccccc3)c2c1=O 506640304 XHLPFEHNJLPSJJ-UHFFFAOYSA-N 497.667 5.554 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 510226416 FDDPEHDMBTWKKJ-SFHVURJKSA-N 491.588 5.593 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 510227784 JROSFGULEAYZLY-UHFFFAOYSA-N 484.581 5.718 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 511319564 LROCGMPQSWMDML-UHFFFAOYSA-N 474.992 5.335 30 20 JKED CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513220745 XWAIEBVZPYBXBP-CQSZACIVSA-N 492.251 5.223 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 514421075 HNCCHZGNCAYPIL-OYRHEFFESA-N 498.583 5.475 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 514453147 AUHBKWWAPGYNKS-UHFFFAOYSA-N 466.335 5.217 30 20 JKED N#C[C@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc(-c2ccccc2)cs1 515542858 CJUQZWRIQVTAAN-JOCHJYFZSA-N 466.591 6.240 30 20 JKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 515768265 YNWGPSVJOJSLKZ-QGZVFWFLSA-N 499.571 5.880 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc2ccccc12 515914732 WVGWSBMQFKDKPO-HXUWFJFHSA-N 463.537 5.301 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2Br)on1 519314986 LGRNKACXLMYKRU-HNNXBMFYSA-N 468.332 5.424 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cn2)c1 520453684 ATWCAFJWRZQBRW-UHFFFAOYSA-N 481.556 5.207 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 524428762 YJASXPFTHMMYJN-NRFANRHFSA-N 469.513 5.189 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cc1nc(O)c2cc(Br)cc(Br)c2n1 578791722 SINGORCEWMVPED-UHFFFAOYSA-N 490.199 5.144 30 20 JKED O=C(NCc1ccccc1Oc1cccc(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 594837257 SJCNEBQRLPWPHF-GJZGRUSLSA-N 464.381 5.890 30 20 JKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(F)cc1 604140473 JCLRYGQMNUMVCL-JOCHJYFZSA-N 460.509 5.117 30 20 JKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604160826 XOULGXGBRULJGA-XMMPIXPASA-N 459.977 5.681 30 20 JKED C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604166595 IIGQRTVULVDPQF-HNNXBMFYSA-N 451.885 5.301 30 20 JKED CCN(CC)C(=O)COc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 604438755 PVJUHAWIRRACHD-UHFFFAOYSA-N 473.598 5.350 30 20 JKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609057889 ZLZLRARSUYWJOH-UHFFFAOYSA-N 451.482 5.543 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)cc2Cl)c1 609063225 RGXZWWIFHNLZPI-UHFFFAOYSA-N 495.409 5.059 30 20 JKED Cc1ccccc1CN1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 609079019 XEUKPIRMESQZGF-UHFFFAOYSA-N 454.574 5.104 30 20 JKED COc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1S(=O)(=O)Nc1ccc(C)cc1 609430637 RJKVBYYCMKFTSI-SFHVURJKSA-N 495.626 5.451 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1OCc1ccc(Br)cc1 613292180 BNYXAJNGPILUEY-OAQYLSRUSA-N 487.353 6.075 30 20 JKED N#C[C@H](C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc2cc(Cl)ccc2s1 613407082 HOMIJRNPNQLAAX-OAHLLOKOSA-N 457.740 5.388 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 613874439 XTSQNJTXPSBUOA-LJQANCHMSA-N 492.645 5.889 30 20 JKED O=C(Nc1ccccc1SCC(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642476927 ZJHFTJLHMAZENJ-URLYPYJESA-N 468.385 6.372 30 20 JKED Cc1cc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)n(-c2ccc(C(F)(F)F)cn2)n1 642497371 UUMBRVIHNBFRTQ-UHFFFAOYSA-N 461.341 5.074 30 20 JKED O=C(C[C@H]1S/C(=N\CCc2ccccn2)N(C2CC2)C1=O)Nc1cc(Cl)c(Cl)cc1Cl 726107234 ANGZZXNGPKNRII-ZMRQUTOFSA-N 497.835 5.076 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1Oc1ccccc1 726305769 CYGIYOCEJXPODG-IDISGSTGSA-N 475.548 5.950 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(F)(F)F)C2=O)c1 726405409 FCEXZTLPTBDLIT-GOSISDBHSA-N 494.926 5.351 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)c1 726419111 CLSBSPTUFSPCQJ-VYXFWJRRSA-N 492.670 5.911 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)c1 726573833 RZCGDAWAFAMRQE-UHFFFAOYSA-O 471.602 5.347 30 20 JKED N#C[C@@H](C(=O)CCCCCc1ccc(I)cc1)c1nc2ccccc2[nH]1 726858949 RJIKSTJRFSONNT-KRWDZBQOSA-N 457.315 5.147 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3NC(=O)c3cccs3)cc2F)c1 728193990 ZCRRYKVCBUGKIV-UHFFFAOYSA-N 471.513 5.842 30 20 JKED C#Cc1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(OC)c(Br)c2)c1 728453021 UVNNGSYVMOWPHR-JOCHJYFZSA-N 451.389 5.515 30 20 JKED Cc1ccc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4cc(Br)ccc43)c2C)cc1 728704751 KLIUXNGDMKIMEB-UHFFFAOYSA-N 474.358 5.235 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCCCC#N)c1 728779315 YBYUDOVCKHKSGU-HXUWFJFHSA-N 488.535 5.668 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cnn(CC)c1 729631062 FIBWBJPMJMCNHA-IBGZPJMESA-N 495.571 5.318 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1F 730476877 DVMPCAZWYGSVJP-UHFFFAOYSA-N 451.420 5.249 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2Cl)o1 730716715 YVPYLZVPMJQBAG-IIMJZQEZSA-N 495.992 5.007 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 731078641 PGFJRNXZVKBWCJ-AWEZNQCLSA-N 489.384 5.369 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1cccs1)c1cccs1 731312768 RSIDCAACNBABTL-TZNDBUCRSA-N 499.683 5.536 30 20 JKED CN(CC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1)C(=O)OC(C)(C)C 731400882 WXRMKRBLKFZUBV-UHFFFAOYSA-N 464.566 5.461 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cc(C)ccc1F 743526906 XVBBMJFGXUJNKQ-SFHVURJKSA-N 478.933 5.066 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)c(C)c1 746597262 YUWMAMRHWANRNP-SFHVURJKSA-N 465.550 5.367 30 20 JKED C=CCN(C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747544642 SFWPNFSNFZRBMD-NRFANRHFSA-N 488.396 5.450 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 747802678 DZVIAJWWRQQSBU-OFVILXPXSA-N 499.080 5.890 30 20 JKED CCc1ccccc1N/C(S)=C(C(/O)=C1/N=C(C)C(C(C)=O)=C1C)\[n+]1ccc(C(CC)CC)cc1 798149051 GYOXSEDVXBNKKM-UHFFFAOYSA-O 490.693 6.758 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(NC(=O)OCC)ccc23)nnc1-c1ccc(OC)cc1 799199110 QUKMUCJWSOEQTA-UHFFFAOYSA-N 492.557 5.107 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ccccc2OCc2ccccn2)cc1 819842497 OKDOHVJFMWYGED-UHFFFAOYSA-N 473.602 5.300 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 837301318 VICSPNOOKYAKNF-QVKFZJNVSA-N 482.968 5.596 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C[C@@H]2CCCO2)C1=O)Nc1cccc2ccccc12 838574725 BHFMZPRXPYHSBK-FDDCHVKYSA-N 495.551 5.257 30 20 JKED O=C(COC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 843419924 GMLFUSGVMUIEIJ-WAYWQWQTSA-N 485.302 5.938 30 20 JKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 857502760 SNSFWDIWKWBCEN-RBUKOAKNSA-N 463.393 6.019 30 20 JKED O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N(O)Cc1cccc2ccccc12 901370399 GSXHKULKAMPYTA-UHFFFAOYSA-N 463.887 5.541 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 912832044 HKDSEHUBOZNQOW-UHFFFAOYSA-N 486.645 5.069 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 913350223 MKFMYTHDNYLIIQ-UHFFFAOYSA-N 464.692 5.277 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CCc1nc(C(C)C)no1 915140106 TVFBXCTULWJUOY-HXUWFJFHSA-N 479.562 5.347 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1 916205366 IRAWXELMQLOIGQ-FQEVSTJZSA-N 471.941 5.541 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1C 916205497 JQDMHNITUZLYOZ-GOSISDBHSA-N 481.927 5.814 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(F)cc2)c1 916210599 FOJTUEQERPGRNV-QFIPXVFZSA-N 499.514 5.273 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)cc1 916211997 JDTKUNQWDSPDHM-HSZRJFAPSA-N 458.587 5.167 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC)cc1 916213793 HPSLTRINUMUJNG-OAQYLSRUSA-N 490.025 5.044 30 20 JKED COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1c(Cl)cccc1Cl 916256457 ZVCJLEVMDOLIOR-UHFFFAOYSA-N 495.344 5.157 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCCOc3ccccc3)nc2)cc1 916680161 FXVFNIASRCCEQP-MHZLTWQESA-N 478.552 5.517 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 916680630 MLGSWEWKHFCNIQ-URXFXBBRSA-N 450.369 7.018 30 20 JKED CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916721356 VVUMFPUXGBXAAK-FVDSYPCUSA-N 478.618 5.097 30 20 JKED Cc1cc(Br)ccc1SCC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847260 NYVCCOPBINQWLI-AWEZNQCLSA-N 488.432 5.315 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 916905827 FMPZLTMGTNTWEJ-OAQYLSRUSA-N 482.005 5.390 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccccc2Br)cc1 916918329 LGHFXWCLGCPTBS-QFIPXVFZSA-N 499.364 6.142 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCCc2ccc(Br)cc2)cc1Cl 916940757 WVCBCZUMIHZCGK-QGZVFWFLSA-N 463.759 5.171 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 916951426 YEHYMIQPLWGCSZ-JLMWRMLUSA-N 497.542 5.001 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042695 FSDKRQWQQSWSTN-SFHVURJKSA-N 472.467 5.676 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc2cc(C(F)(F)F)ccc2s1 917044205 RIMVFDKDKPBDLT-GOSISDBHSA-N 456.489 6.033 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(F)c(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 917430401 JXKOVUHKMQJPPE-NSHDSACASA-N 457.246 5.636 30 20 JKED Cc1nc(C#N)c(NN=C(C[C@H]2CCC[C@@H](C[C@@H](O)c3ccccc3)N2C)c2ccccc2)o1 917554697 FFWRGCWIXFITJI-MVERNJQCSA-N 457.578 5.038 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1O[C@@H](C)C(=O)N(C)C 917605406 RPPHEASBVBJYHA-LUJNMSEFSA-N 494.569 5.474 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)cc1 917682911 MGOKDQXCIJBPQL-QFIPXVFZSA-N 480.540 5.137 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C)cc3)C2=O)c1 917706911 BDTKYVIWMZZITQ-DEOSSOPVSA-N 484.581 5.036 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 917713751 PNMYLOICKUGRCD-UHFFFAOYSA-N 486.018 5.367 30 20 JKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 920518869 RCWKXVRJPJFETI-UHFFFAOYSA-N 476.476 5.768 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)OCc1nnc(-c2ccccc2Br)o1 921182774 WKRLPFBQUWDKTD-UHFFFAOYSA-N 460.287 5.395 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc4sccc4s3)C2)c1 1778976279 IKSLMMGSBLMRSO-RXMJPHHWSA-N 493.654 5.031 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786058325 HNCBQTOKXPLEML-YTFSRNRJSA-N 481.637 5.026 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)cc1 1786328536 MDTIHOLOUDZSIN-SVBPBHIXSA-N 479.580 5.047 30 20 JKED Cc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1787333287 XWSRNOYDPYUGQK-UHFFFAOYSA-N 472.545 5.012 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](N)c4cccc(Cl)c4)cc3)CCC2)c(Cl)c1 1788054168 BGNOURRXUMXMNP-HSZRJFAPSA-N 493.394 5.313 30 20 JKED CC(C)c1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)co1 1788356291 CSFJCGZBZJCISF-UHFFFAOYSA-N 497.477 5.145 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4c(s3)CCN4C(=O)OC(C)(C)C)cc2)CCC1 1789219815 CJUAEJYIMCMNHR-UHFFFAOYSA-N 481.618 5.370 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c(C)n1 1789965263 YKOYFHMDUOBCNW-UHFFFAOYSA-N 461.682 5.497 30 20 JKED COc1cccc(OC)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1790239599 TYCXNPFQSQDFBE-IBGZPJMESA-N 483.568 5.392 30 20 JKED Cc1nc2cc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)ccc2s1 1790257415 YARGYFVYBCZZLZ-UHFFFAOYSA-N 466.566 5.538 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](NC(C)=O)c3cccc(Cl)c3)cc2)CCC1 1790368446 YTYBKHVNQURGCX-JWQCQUIFSA-N 494.035 5.420 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC=C(C)C)cc2)CCC1 1790450080 BOUJGHWHGGLMLJ-QFIPXVFZSA-N 469.626 5.336 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)Cc4c[nH]c5ccccc45)CCC3)cc2)c1 1790765237 XUYYSIRIIFJNJL-UHFFFAOYSA-N 466.516 5.169 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5o4)cc3)CCC2)c1 1790848496 DVFDEQJMDCMXCR-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cc(OC)ccc4n3)CCC2)cc1 1791298850 XTJFVSBRTYVKNK-UHFFFAOYSA-N 465.500 5.203 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](CSC(C)(C)C)NC(=O)OC(C)(C)C)CCC2)cc1 1791589770 CBUKZBCAKBNGII-FQEVSTJZSA-N 489.682 5.122 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CCCC(=O)Nc3ccccc3)CCC2)cc1 1791726198 GFLFJFCPIUQUMC-UHFFFAOYSA-N 459.590 5.123 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccco3)cc2)CCC1 1791802157 GCDLMUFRILWZFC-SIKLNZKXSA-N 495.620 5.582 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206916 WMBDYTSXVCRSFP-PTUXOGIPSA-N 483.653 5.416 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn3cc(C(F)(F)F)cc(Cl)c3n1)C2 1793053049 ORFSJCSJWFCJLR-BCDXTJNWSA-N 494.945 5.027 30 20 JKED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1793609911 JUTMOOUPWJYVEK-OIMFZILRSA-N 467.660 5.103 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1OCc1ccccc1)C2 1794074215 TZDFWYSJKPRIGW-WKCHPHFGSA-N 485.049 5.090 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cccnc3)cc1)C2)c1ccccc1 1798556780 HJJPCGDZYOCZFG-CRNKYVSFSA-N 477.608 5.198 30 20 JKED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)CCC1 1799280690 IYTMGEXFYMOUQJ-WKCHPHFGSA-N 487.566 5.699 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](F)c2cccc(F)c2)c1)C(F)(F)F 1800279711 RWKUAFLEVXSTDZ-LRSLUSHPSA-N 478.461 5.255 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1801637513 HYKIDQDNGXXWMP-CBHOWOPOSA-N 454.014 5.092 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)[C@H]2c2cccnc2)C1 1802416948 SHSVGYXHUWAHAD-KKSFZXQISA-N 477.914 5.040 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1803092228 ULSLXQRVJVHWFN-QPPBQGQZSA-N 496.449 5.241 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1803605981 MCDVJOODGXOUJC-GSDHBNRESA-N 473.642 5.023 30 20 JKED Cc1ccoc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1808500519 SDEVXTYENSMRLF-IZLXSDGUSA-N 489.575 5.016 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 1809253169 PVPXQAURYOJBOW-WMEMMNBJSA-N 478.552 5.088 30 20 JKED N#CC1(C(=O)N2CCCC3(CCN(C(=O)C4(c5ccc(Cl)cc5)CCCCC4)CC3)C2)CC1 1809504689 CMKQELYVAOYUGY-UHFFFAOYSA-N 468.041 5.077 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1810171106 DQURISZQXSIDRS-WWPJHQMMSA-N 494.639 5.540 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810267708 NXKUAAUEENACJB-VYWDTDEQSA-N 493.749 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1810491380 CPAVEQSEGIDGLA-JIMJEQGWSA-N 461.650 5.520 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811442010 KNEKBJNFPXKMIR-PPNCUWOSSA-N 471.576 5.420 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811721825 OBFNCLITNLZYTI-JEYPMZLKSA-N 469.585 5.406 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3ccccc32)[C@@H]1c1cccnc1)c1ccccc1 1813168210 KAXLQFRRVKWHBF-ZRJFKUPHSA-N 491.635 5.015 30 20 JKED N#CCCC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814148077 HHVREQPPEUCBJO-WNJJXGMVSA-N 474.649 5.365 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)c[nH]2)cc1 1816101065 CXHSNXLQPJXGLN-SANMLTNESA-N 492.583 5.399 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cc(C)[nH]c34)[nH]n2)c(O)n1 1816241891 YXAHGKOTEXSNJC-HSZRJFAPSA-N 498.587 5.038 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)[nH]n1 1817099699 PLCPIJWMCBDLSJ-HNNXBMFYSA-N 480.384 5.216 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817947777 OIQKBOVRVBMFBQ-KRWDZBQOSA-N 475.927 5.370 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)[nH]n1 1819306128 XJOISICUYMNMJR-UGKGYDQZSA-N 462.594 5.198 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)[nH]n1)c1ccccc1 1819516896 OUYMXGLZVNJXPP-NZQKXSOJSA-N 491.542 5.245 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2F)n[nH]1 1820996035 GWDASSRQJOHYBT-DEOSSOPVSA-N 480.584 5.412 30 20 JKED C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)sc2C1 1821158277 YEOUEHHUUJNMJT-HXUWFJFHSA-N 482.609 5.092 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1)c1ccccc1 1821415637 PIZXPLZVLDLHJG-HOFKKMOUSA-N 491.595 5.461 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(O)c3cc2OC)n[nH]1 1821499498 OQHGPTIFTNVJFK-JOCHJYFZSA-N 490.604 5.575 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccoc34)n[nH]2)c1 1821543377 YIIANPIHZSBOLI-HXOBKFHXSA-N 467.529 5.403 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(Cl)cc3Cl)n[nH]2)C1 1821858549 SYNSHBFBLUPMNM-HXUWFJFHSA-N 461.393 5.308 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1ccccc1 1822044541 IKNCHWAZYZMOIX-GAJHUEQPSA-N 475.980 5.434 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[nH]n1 1822581201 GHCXWFHAQCDZNI-RUZDIDTESA-N 494.599 5.453 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C)c2Cl)n[nH]1 1823139783 XMBOXSLMBZXUFE-QGZVFWFLSA-N 467.422 5.250 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1823214359 CFMVWZWFAQQJOA-RDPSFJRHSA-N 489.696 5.394 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)ccc(F)c1F 1823215865 IHPUCEZMBKLWGK-IVZQSRNASA-N 477.515 5.243 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)c1 1823218764 WJWMBVSZRNYWKK-ZHRRBRCNSA-N 495.505 5.675 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2OC)CC1 1823751012 HIKMXDCGTVCVQS-DEOSSOPVSA-N 454.655 5.240 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccc(F)cc2)CC1 1823751420 STPSKGPJNHODEB-DEOSSOPVSA-N 458.618 5.207 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Br)CC2)cc1 1823930780 YNRSXQUJCRBPAE-QHCPKHFHSA-N 498.396 5.007 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)c1 1823987890 ZYNPXURSLIAPJI-BCHFMIIMSA-N 496.026 5.582 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c1 1824051885 UJHWHTVJHHMHFK-HSZRJFAPSA-N 484.065 5.068 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1824545054 RYHJIWXXHQURNF-UXHICEINSA-N 474.564 5.032 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccncc2)CC1)c1ccccc1 1825253272 GMDJWGJHFIMFQR-URLMMPGGSA-N 485.672 5.221 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1 1825854828 WXCFUJYZYWMZML-FQEVSTJZSA-N 479.162 5.686 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1)C(F)(F)F 1827337186 TZBKPLGRYSHDIZ-QHCPKHFHSA-N 485.550 5.409 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1827922763 RKCOEDAVRLXLQT-SANMLTNESA-N 498.652 5.158 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 1829068974 BFUOBEZMXWQDRA-SANMLTNESA-N 476.665 5.157 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)C1 1829707348 HWMQPCSQPMSCLV-MHZLTWQESA-N 460.593 5.692 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1)C(F)(F)F 1830452494 YUIMSJRAGAVSNL-QHCPKHFHSA-N 471.523 5.100 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1830599192 GLKSSOPPAGWJFV-SANMLTNESA-N 473.617 5.283 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2OC)CC1 1830659754 AXKFROXDTLBCII-NRFANRHFSA-N 462.581 5.199 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830717515 WKVLMOUNWKOFRG-QHCPKHFHSA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c(Cl)c1 1830721850 RLRVHSFGMJCYSU-HSZRJFAPSA-N 493.032 5.368 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccccc2Br)CC1 1831717016 QMTTUTUDLZIGQN-SIKLNZKXSA-N 491.470 5.050 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@]23CN(Cc2ccccc2)C[C@H]3C)CC1 1831854061 QKRSMVIALYJHNF-RBQHBPOVSA-N 491.720 5.121 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832629113 JKZZLULJHDQZQI-KCWPFWIISA-N 487.644 5.243 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccco4)no3)CC2)c1 1832630419 HYHSEZVHAIEMQT-CYFREDJKSA-N 486.572 5.109 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccn4c3)CC2)c1 1832630499 JMEKTOWMZLFZIR-CYFREDJKSA-N 474.630 5.175 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc(C)c1O 1832635423 DNBPHQKNOSFZGS-RLWLMLJZSA-N 473.617 5.183 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3OC(F)F)CC2)c1 1832675552 LPTOUEAPCJDWCK-DEOSSOPVSA-N 495.570 5.026 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3ccccc3C#N)CC2)CC1 1832794230 LACSLAWUJZYEBQ-GVUKDKGQSA-N 479.665 5.163 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)CC1 1838289446 JDABSGRYJVDCLT-VCWDAVCJSA-N 470.698 5.360 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)cc12 11070578 VIVSIJVSYRPRSI-OAHLLOKOSA-N 478.961 5.164 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nc2sc3c(c2c1=O)CCCCC3 16746677 KAHSGSAYWCZGLA-ZDUSSCGKSA-N 475.586 5.310 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nc2sc3c(c2c1=O)CCC3 17652972 GTHCRIKAPDEKKF-AWEZNQCLSA-N 450.589 5.344 30 20 JKED Cc1ccccc1-n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1c[nH]c2ccccc12 20044816 GMGULILHROYGMY-UHFFFAOYSA-N 478.581 5.521 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nnc1-c1ccoc1C 21134398 LERROBPBGORSQF-UHFFFAOYSA-N 461.572 5.290 30 20 JKED C=CCN(C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1nc(-c2ccccc2)cs1 21675897 VLNMTFDXLKAUST-UHFFFAOYSA-N 486.523 5.035 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 21728485 GKRVBYHVHPATLX-IBGZPJMESA-N 464.616 5.076 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 22690153 RIZOGZJHIOQOFK-UHFFFAOYSA-O 457.591 6.211 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22800650 MFRMKHKKKBBGMU-UHFFFAOYSA-O 482.069 5.705 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccc(F)cc1 24014872 ALFRHUHWQXKOIJ-HOTGVXAUSA-N 450.539 5.374 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 26732721 YSFPMQYAKXFZRT-IBGZPJMESA-N 453.498 5.025 30 20 JKED C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1[C@H]1COc2ccccc2O1 28963751 UGWSRCCLGYIWPG-HXUWFJFHSA-N 466.950 5.577 30 20 JKED N/C(=N/OCc1coc(-c2ccc(Br)cc2)n1)c1ccc(Oc2ccc(F)cc2)nc1 72073203 BSMZMYCHMIJSNC-UHFFFAOYSA-N 483.297 5.268 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)cc1 254313305 RVLSHSCGASENCK-HXUWFJFHSA-N 469.950 5.102 30 20 JKED aggregator Cc1nn(C)c2ncc(/C=C3/CC(C(C)(C)C)C/C(=C/c4cnc5c(c4)c(C)nn5C)C3=O)cc12 303011273 KCNJSISRISVHPW-OJRZISNZSA-N 468.605 5.359 30 20 JKED CC(=O)N(c1nc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)cs1)c1ccc(F)cc1F 303088887 COGFIUAQPHWPNA-ZSOIEALJSA-N 492.519 6.633 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 409530741 YYRVSSNIBIKVBT-SFHVURJKSA-N 459.281 5.980 30 20 JKED Cc1ccccc1-c1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c2cnn(C(C)C)c2n1 481072345 GUWQIDSLQVPNGF-UHFFFAOYSA-N 478.600 5.212 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc1C 486556170 ALBCFPRVRCYFKL-UHFFFAOYSA-N 492.583 5.655 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 487762738 TZLQUEFZMPXWRS-NRFANRHFSA-N 492.442 5.622 30 20 JKED Cc1cc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c3c(C)noc3n2)c(C)s1 487836264 DZYURWXHKDPMBQ-UHFFFAOYSA-N 484.503 5.953 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 495566070 UEOZQBSUQHSUGN-UHFFFAOYSA-N 453.458 5.417 30 20 JKED C=CCc1cc(CNC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc(OC)c1OC 497799085 FFIDZDXWCAWKOP-UHFFFAOYSA-N 474.561 5.706 30 20 JKED C=CCN(C(=O)c1cccc(CS(C)(=O)=O)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 500260967 HTZYVZAZPKNMQB-UHFFFAOYSA-N 488.634 5.855 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 500738675 MWQGJZVHUMQPEZ-UHFFFAOYSA-N 458.905 5.934 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(c3nc(C4CC4)nc4sc5c(c34)CCCC5)CC2)c1 502321639 WEAOHVIFWYQHLI-UHFFFAOYSA-N 457.603 5.174 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 503378233 ZWYFGEQQOLQEQK-UHFFFAOYSA-N 472.476 5.517 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)nnc1-c1ccccc1F 503713745 CJBTUGNYCMWKOJ-DEOSSOPVSA-N 496.608 5.037 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 508389572 OFNMBRMMQPEXJW-UHFFFAOYSA-N 457.515 5.387 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(OCc2ccccn2)c1 510656010 CYBPDPNOAKRQKR-FQEVSTJZSA-N 464.525 6.207 30 20 JKED N#C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(O)c2c3c(sc2n1)CCCC3 513668232 ZYAPCIKWLTXZKR-CYBMUJFWSA-N 485.409 5.803 30 20 JKED COCc1c(Br)cccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513867005 ZKSCWEVHZGAAGM-UHFFFAOYSA-N 482.353 5.841 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1 513949927 IUKOPFAGZFZPIF-UHFFFAOYSA-N 457.427 5.873 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1 514936306 UXTWBKWUCLPGPC-FQEVSTJZSA-N 499.036 5.258 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc2ccccc2n1C(F)F 515540198 JOMDZWZQSCKYIR-INIZCTEOSA-N 472.373 6.128 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)cc1 518662509 HFHQWSGSBRUBGQ-HYBUGGRVSA-N 457.599 5.747 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 518683661 ZKXPUJCTRCGCRG-FUHWJXTLSA-N 465.554 5.539 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 519876420 FWIUFHIZWSTAGQ-LMSSTIIKSA-N 463.581 5.253 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1 520502411 VWBKFILKOPYCTE-HSZRJFAPSA-N 487.581 5.099 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1)c1ccccc1 521379828 XVTGBTMXBJKORO-UHFFFAOYSA-N 470.344 6.368 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C)n2CCc2cccs2)n(C2CCCC2)c1C 524087776 PMUWJKXCINUKKJ-UHFFFAOYSA-N 468.652 5.027 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 524565150 JKNQEIJNYWJZLR-BFUOFWGJSA-N 468.381 5.990 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(C)nc21 587989039 RBOUAMSCUDKDQW-HIFRSBDPSA-N 451.502 5.603 30 20 JKED Cc1cc(C)cc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)c1 589944820 WMDXJFQGYLCWFD-CYBMUJFWSA-N 452.605 5.532 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)CCc2ccccc2OC)c1 591240730 GIWILUMTMLBJKG-UHFFFAOYSA-N 499.032 5.045 30 20 JKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1NC(=O)c1ccc(Br)cc1 603638191 XKTWEAIBYDIJGK-UHFFFAOYSA-N 490.401 5.932 30 20 JKED C[C@H](C1CC1)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 603965026 TZOJEBAEBVWXGE-MRXNPFEDSA-N 498.505 5.873 30 20 JKED C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1 603969419 SAUVSZNWLWMWLY-QGZVFWFLSA-N 465.600 5.102 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl 603987481 SXFHUFZFGMTJMW-UHFFFAOYSA-N 478.017 6.534 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)cn2)c1 604509933 BOROMQVGPAQLMK-UHFFFAOYSA-N 487.523 5.315 30 20 JKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 609207601 IASBVWUSMATZPW-UHFFFAOYSA-N 467.472 5.411 30 20 JKED COc1ccc(C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2ccc(OC)cc2)cc1 609211559 YODGQJLOQBSSBE-NDEPHWFRSA-N 485.584 5.112 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 609434582 AJRZDEGNMPUDMV-OAQYLSRUSA-N 481.625 6.597 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319635 INQPSGSOGQKCBZ-OAQYLSRUSA-N 475.932 6.345 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 614072941 JXFUVKUKURHPNV-VWLOTQADSA-N 464.610 5.334 30 20 JKED C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618450653 MCCOTWFIIYNIDA-OPRDCNLKSA-N 470.763 5.749 30 20 JKED N#C[C@H](C(=O)c1nccnc1-c1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 620304540 KWAOZJWHTARVCV-GFCCVEGCSA-N 475.505 5.645 30 20 JKED O=C(Nc1ccc(OC(F)F)c(Cl)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642411168 FLZGAHXWTWVFPH-HTQZYQBOSA-N 454.745 5.972 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 643097873 BXSRUZICHURVTD-HNNXBMFYSA-N 462.648 5.059 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cc(F)ccc1N1CCN(C)CC1 726280250 VUXZENCZOIVBGY-FNZWTVRRSA-N 471.580 5.116 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCCC3)C2=O)cc1 726408419 ZCLHFKCZYZMZAP-OAQYLSRUSA-N 466.994 5.423 30 20 JKED CC(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@@H](C)c2cccs2)CC1 726419118 CQSXSQCJBSYVCN-RHNYJVSXSA-N 484.691 5.011 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(Cl)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 726435320 PDJMDWRTWPYFKG-UHFFFAOYSA-N 476.410 5.584 30 20 JKED COc1ccc(N2CCC(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 726561476 ZPLUYCPCHXMFIL-UHFFFAOYSA-N 457.599 5.258 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(OC)c(Cl)c1 726571642 ZVRLFDMVHRQYIR-UHFFFAOYSA-O 485.416 6.047 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1 726692211 STWJHOHNBZDAGN-UHFFFAOYSA-N 482.517 5.717 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2c(NC(=O)C(C)C)sc(C)c2C)ccc1Cl 727528392 FQGSHRFSDAJGEU-UHFFFAOYSA-N 475.998 5.025 30 20 JKED Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728670063 ZEAIQVMIKKAYSK-UHFFFAOYSA-N 455.514 5.055 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2\CN(C(C)(C)C)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697314 NMGHMOJFTRXCSH-FYGLJAMQSA-N 469.585 5.419 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CCCCC#N 728778092 PYPWNZQROZDHIV-XMMPIXPASA-N 470.598 5.802 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3scnc3C)C2=O)cc1 729144770 FOUMOLKZXZRMIP-FQEVSTJZSA-N 498.605 5.150 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)c1OC 729428168 ASTKRNMYTCFFMD-QFIPXVFZSA-N 489.601 5.369 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 729631276 GJCOMPCWIHPUOV-DEOSSOPVSA-N 470.598 5.039 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 729890254 XDIGIGOHTHYXML-LBPRGKRZSA-N 453.734 5.831 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1nc2cc(Cl)ccc2s1 730449175 BYTKGUOOZHEXCL-UHFFFAOYSA-N 465.756 5.521 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CCC2)cc1 730460913 IOHVXBGLBKLCFM-OAQYLSRUSA-N 488.009 5.260 30 20 JKED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 730551939 GJNQCLBFGDSYPK-UHFFFAOYSA-N 481.577 5.088 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2Cl)s1 730715005 JCIKLKYKNZJPHV-RDTXWAMCSA-N 486.022 5.221 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N\C[C@@H](O)c1cccc(C(F)(F)F)c1 730733375 ZISSVCFUONYWMK-PJDJVUTQSA-N 467.079 5.089 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 730945777 XSWDVZXCRKAPRX-YCRPNKLZSA-N 499.423 6.110 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 731059997 BUDYZUPPURZFQU-KRWDZBQOSA-N 471.538 5.542 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731305978 QUPLATMHOTUKHY-QVKFZJNVSA-N 480.977 5.162 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731306567 WDVDWYBYEQYVJE-BTYIYWSLSA-N 480.977 5.162 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)o1 731307417 RWFXMZDMSHCRDE-HNKPZJSLSA-N 475.570 5.269 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 731410845 NXSFCIZSGWDUQG-LJQANCHMSA-N 497.532 5.335 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2Cc2ccco2)c1 743524319 JDTCFMRDFMTWRL-OAQYLSRUSA-N 496.520 5.104 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc([C@H](C)N2CCCCC2)n(-c2ccccc2)c1=S 745162492 OLFABLZAJGDHBI-QFIPXVFZSA-N 472.662 5.468 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CCOC(C)(C)C 746697921 PUVRXRIUTXAWPT-QFIPXVFZSA-N 483.634 5.087 30 20 JKED Cc1ccc(/C=C2/CN(Cc3ccccn3)C/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] 747317518 XPQADFRAAPECKQ-IHKZTNIUSA-N 484.512 5.067 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 762965935 HQJASOZYKLJJHX-UHFFFAOYSA-N 467.978 5.113 30 20 JKED COc1cccc(Cc2cnc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)s2)c1 818116473 YVRBBIKTZKUNAV-UHFFFAOYSA-N 471.607 6.159 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@H](C)c2cccnc2)C1=O 837300296 DYPBZLSSDCVZKB-ZHRRBRCNSA-N 496.995 5.904 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 837784620 OPWDVIOFAGQROG-IIBYNOLFSA-N 464.978 5.457 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@H](C)c2ccccn2)cc1 837918409 MQZXGEIQYCMSSE-KOSHJBKYSA-N 488.613 5.374 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c2ccccc21 843388412 YGOSSFPEHCDCSN-UHFFFAOYSA-N 472.522 5.094 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(Cn3nc(C)cc3C)c2)no1 904524545 RTSGWNADEFODCX-IBGZPJMESA-N 457.962 5.307 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4ccc(Cl)nn4)c3C#N)C(C)(C)C2)o1 913611342 YOFVLVLIYRAVJD-ALCCZGGFSA-N 497.045 6.474 30 20 JKED O=C(C[S@@](=O)Cc1c(F)c(F)c(F)c(F)c1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 914520811 IQKPWPPSBHVJIT-YTTGMZPUSA-N 499.301 5.307 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 914543611 PRECPKPZHJJESK-CJFMBICVSA-N 486.641 5.604 30 20 JKED CC(=O)N(c1nc(C=NNC(=S)Nc2ccc(C)c(C)c2)cs1)c1ccc(F)cc1F 915919040 IIJSJALKTQBIBZ-UHFFFAOYSA-N 459.547 5.043 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1Cl 916057597 UIGIIQUADUDFMD-OXQOHEQNSA-N 492.894 5.034 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC2)C1=O 916211852 RICYVCZFLQHXPQ-GOSISDBHSA-N 464.374 5.125 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccccn2)cc1 916214657 QGOPLYGLPYMXLJ-HSZRJFAPSA-N 458.587 5.113 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887995 SAAFIFZYRIJAKC-FQEVSTJZSA-N 493.539 5.094 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 916912263 GMQWNUNZRZTYBP-JOCHJYFZSA-N 480.351 5.769 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccccc1 916946220 NUVDGYYMSISNPH-FQEVSTJZSA-N 466.324 5.515 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)n2)cc1 916974560 LWRZQMVBLFDCNS-ZCYQVOJMSA-N 464.546 6.063 30 20 JKED COc1ccc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cc1OCc1ccccc1 917517190 BCAABPATZNISCF-ZSOIEALJSA-N 454.526 5.483 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2c(C)cccc2C)cs1 917532558 ZTJSLFLENIICRJ-UHFFFAOYSA-N 458.012 5.418 30 20 JKED CC(C)c1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)c1 917635643 NCEDUYLRJHSNIX-QGZVFWFLSA-N 469.916 5.730 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccsc3)C2=O)cc1 917668558 BSKRGEQTQHWHEK-QFIPXVFZSA-N 477.611 5.420 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917677794 XHELBBAIMVPTDC-DSITVLBTSA-N 490.673 5.199 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3C)C2=O)cc1 917702172 RLTFECATRVNMHT-RUZDIDTESA-N 496.592 5.230 30 20 JKED N#Cc1c(NC(=O)c2nc(NCc3ccco3)ncc2Cl)sc2c1-c1ccccc1CC2 917774637 QAOZYHQSXVFSHK-UHFFFAOYSA-N 461.934 5.286 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)C3CCOCC3)c2C#N)C(C)(C)C1 918041631 KKAOTDMHUQPULN-PLNGDYQASA-N 496.654 5.676 30 20 JKED O=C(/C=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(N2CCOCC2)c(F)c1 918712414 LFUOGYYKMOKQKH-VURMDHGXSA-N 462.468 5.701 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 919467965 OFBBDRNZFXVYSX-OAHLLOKOSA-N 471.376 5.224 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 919990458 WHNKSXZYTOXVNB-UHFFFAOYSA-N 487.357 5.227 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccsc2)c1 920172184 GKZTYZPOOIHZTM-OAQYLSRUSA-N 493.610 5.224 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O 920172249 HCJWRGAYTRGMCP-HXUWFJFHSA-N 497.573 5.054 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3ccco3)C2=O)cc1 920177155 XPSLQAIWXKKIFK-DEOSSOPVSA-N 487.581 5.131 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccnc3cc(Cl)ccc23)cs1 920361653 UTFUHFROXRFEEW-UHFFFAOYSA-N 489.910 6.494 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)OCc1csc(CC(=O)Nc2ccccc2)n1 920495915 MGUBVSLHDOBWJT-UHFFFAOYSA-N 485.590 5.704 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)c(OC)c1 920668941 MENNRFOKXZCYHR-GOSISDBHSA-N 497.551 5.227 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1C 920894665 UXWWBOLKRXWUQA-UHFFFAOYSA-N 452.514 5.029 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4csc(C(F)(F)F)n4)CCC3)cc2)cc1 1785882665 AMFSOUKQYBLQNV-UHFFFAOYSA-N 484.503 5.024 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc(Cl)c3F)CCC2)cc1 1786680143 MKVZDFCDHMKARF-UHFFFAOYSA-N 450.938 5.285 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3=CCCC3)cc2)CCC1 1787623061 IFEOOMIYINMCGF-QFIPXVFZSA-N 467.610 5.090 30 20 JKED Cc1sc(-c2ccccc2)nc1CC(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787885499 HZRBVNCMDUYKHY-UHFFFAOYSA-N 458.587 5.099 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4c(Cl)cccc4s3)[C@H]2C1 1788072714 IFSLCNWLBPYYGG-QRFRQXIXSA-N 475.054 5.140 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)s1 1788649259 FCSQYBTXNUGYDM-PKNBQFBNSA-N 466.584 5.005 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789116146 KOGYDUCCVAUSKS-KQDNUWKFSA-N 459.546 5.381 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cc6cc(F)ccc6[nH]5)cc4)CCC3)c2c1 1789235536 DZRDOMPKWUITQU-UHFFFAOYSA-N 492.514 5.116 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4ccc(Br)cc4n3)cc2)CCC1 1789363753 JIBQXAWWULVAPK-UHFFFAOYSA-N 476.374 5.158 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4ccccc34)CCC2)cc1 1790567630 JUNYRPQDPYFJOU-QGZVFWFLSA-N 478.980 5.437 30 20 JKED Cn1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(C(F)(F)F)c1 1790707207 GWYNUMAXFXVNBV-UHFFFAOYSA-N 480.490 5.171 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)c1 1790859425 HZSZVBHVGMEJKX-UHFFFAOYSA-N 464.500 5.307 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nccn45)cc3)CCC2)c1 1790915119 HJMCPQBICQJEFQ-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C(F)(F)F)cn3)CCC2)cc1 1791243466 ODRKBQFEAWDBTH-QGZVFWFLSA-N 459.512 5.379 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CCC2)cc1 1791251325 CGUYIZJGLHDQOK-NQIIRXRSSA-N 457.615 5.026 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4nn3)CCC2)cc1 1791299369 FQBGZDLRVKEZDO-UHFFFAOYSA-N 470.907 5.242 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792338100 JOPDRXBSNZPITE-GOTSBHOMSA-N 481.637 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(C(F)(F)F)cc3)[nH]n1)C2 1798332811 GIQIRPFVXIRCBH-WOZUAGRISA-N 486.538 5.116 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)c1 1800765449 UVONYRLXVZZBQB-NUNAXRQHSA-N 478.552 5.174 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1802495321 BKPMOUQUVMQXAV-CZGCIYHXSA-N 477.674 5.694 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Br)cccc3c1)C2 1802630862 QNUUMZYQTRHOGU-WKCHPHFGSA-N 467.407 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2c(F)cccc2Cl)[C@@H]1c1cccnc1 1802851418 IDRRIQYGZMPSSW-CYFREDJKSA-N 472.004 5.115 30 20 JKED CC[C@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1)c1ccccc1 1803672863 AYSXQVAREZIRRH-ZRPVRZPTSA-N 457.618 5.395 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(C)(C)C)cc2)C3)c1 1803684886 RDLHXZCSWKCFDN-ABQRKTDGSA-N 459.590 5.057 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccc(F)c(F)c3)CC2)C1 1805454821 BAUFOFKDWKDBPD-UHFFFAOYSA-N 493.598 5.640 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(Br)c3OC)CC2)C1 1805457555 FFTYZNVQCQBSAX-UHFFFAOYSA-N 489.454 5.071 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1805698608 QDFFKOLEOXZQNI-TZIWHRDSSA-N 475.511 5.090 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)C3CCC(F)(F)CC3)C2)CC1)c1ccccc1 1805757301 TYALXRHFFLSEHT-XMMPIXPASA-N 470.604 5.240 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(C)cc4)CCCCC3)CC2)C1 1806019007 GIEIDACYNWDZRU-UHFFFAOYSA-N 480.693 5.411 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809217662 RCNPLMFQQGVQRI-YOSAUDMPSA-N 494.060 6.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1 1810174914 QQJRLKZXPQPYGY-WWNPGLIZSA-N 487.522 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1810495186 KCFJLNQHKSSJAP-ICSRJNTNSA-N 477.527 5.314 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)[C@H]2c2cccnc2)c1 1811936343 RFSCWJSDXWXNBR-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1812074554 MGKCPTLBOSXQMO-PXDATVDWSA-N 491.035 5.595 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1812522998 WYIBTGWCTINWRV-WNCULLNHSA-N 492.063 5.446 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1813229616 VNZILQCRRCJSFR-GJZUVCINSA-N 478.036 5.056 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)ccc2[nH]1 1813867108 BQDDMPGYKADBNE-QABSLLFYSA-N 491.595 5.132 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)[nH]n1 1814442655 QLAGMDNTYYMWJK-GOSISDBHSA-N 475.037 5.313 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)cc2F)n[nH]1 1814614756 XNTKZSIQZIJXAG-OXJNMPFZSA-N 489.389 5.386 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814939035 LLXRXXNCIXHKLP-RDGATRHJSA-N 487.044 5.478 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1815207323 DUFZUWGLKZGSGB-LJQANCHMSA-N 470.570 5.052 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1815215136 FXAIOWXURILBJF-IIBYNOLFSA-N 496.995 5.122 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1815572398 KQCZYIBNHVBISN-OAHLLOKOSA-N 494.411 5.606 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(-c4ccccc4)noc3C)n[nH]2)c1 1816335930 QAPFPOPOXGESCU-HSZRJFAPSA-N 494.555 5.173 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)cc1 1816827722 SVWAMYDDZKEDRW-SANMLTNESA-N 477.568 5.178 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679413 TYFBXECURYHEJB-DYVFJYSZSA-N 457.987 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2C(F)(F)F)n[nH]1 1818285904 ISNLPAAKJNCICT-GOSISDBHSA-N 463.504 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn3cc(Cl)ccc3n2)n[nH]1 1818523325 TUVJRXSXZQMGGQ-IBGZPJMESA-N 468.989 5.009 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819076427 ANMNCIIJGAVLNX-LJQANCHMSA-N 470.570 5.052 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(F)c(F)c2)[nH]n1 1819301880 URWWEIRDFYSVPG-PGRDOPGGSA-N 456.537 5.081 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2cccc3ccccc23)[nH]n1 1819302727 KSFTVINJJXVBJC-URXFXBBRSA-N 472.589 5.402 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)[nH]n1 1819308988 JQXQJAJWNSSBFZ-KXBFYZLASA-N 466.973 5.014 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820096298 XQFYJSVLBHYJTD-QFIPXVFZSA-N 485.613 5.672 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccccc4c(Cl)c3OC)n[nH]2)C1 1820236055 VBOTTZSQGXUCRJ-NRFANRHFSA-N 478.980 5.497 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)[nH]n1 1820973967 RUXLCTPQJPEWMH-CPJSRVTESA-N 487.604 5.492 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1821987902 WTDHGIDZJPWCGN-MRXNPFEDSA-N 490.860 5.599 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)S)n[nH]2)cc1Cl 1822384998 KWGABMSKRZWEQK-YVEFUNNKSA-N 485.437 5.128 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1822581972 FCBSPDFHEJMAMM-IBGZPJMESA-N 480.918 5.581 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1822585552 VKVXHRBMPHMOOC-LJQANCHMSA-N 464.463 5.067 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occc4c3)[nH]n2)c1 1823215489 SWYHBVZVANOLPM-GAJHUEQPSA-N 467.529 5.403 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2Cl)CC1)c1ccccc1 1823621577 TYGLSFOUITWSCP-UKILVPOCSA-N 478.036 5.166 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1823812618 UNXNUTLWRKLEEO-AREMUKBSSA-N 490.047 5.106 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)CC3)c[nH]c2c1 1823814869 SZBQPGZVJIBJGY-CRAHCDMOSA-N 494.639 5.224 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)S)CC1)c1ccc(Cl)cc1 1824248990 KOIIJPWRGIMYEK-WTNAPCKOSA-N 451.076 5.018 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)c1 1824837797 RZFOJNNAUUKOGE-CFQHJMILSA-N 495.545 5.524 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(Oc3ccc(Cl)cn3)cc1)CC2 1826036635 LCEXYSIXJCUBJK-SFHVURJKSA-N 495.004 5.013 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(C)C)on3)CC2)cc1C#N 1826157082 CRGMAANQGMLFBO-DEOSSOPVSA-N 492.620 5.004 30 20 JKED CO[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1)c1ccccc1 1826646377 PKIQMKJXOURZMV-BDYUSTAISA-N 482.741 5.045 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1827715025 QZMNIRNZMDMDPT-RUZDIDTESA-N 482.584 5.069 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828138589 YDYZEMCGIRDJOM-VWLOTQADSA-N 465.638 5.402 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cc(Br)ccc4c3)CC2)CC1 1828508387 WXFOSRZLJLCSCY-HSZRJFAPSA-N 494.433 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828745591 SEADJOYDNGHTJE-HYBUGGRVSA-N 468.041 5.823 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1828826973 PHURMZUIBACFFA-OZXSUGGESA-N 460.622 5.078 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1828827185 SUPRDBJPXVUWCK-NAKRPHOHSA-N 471.645 5.750 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C)n2)CC1)c1ccccc1 1829030714 XBUNRYDREMISTE-ILXJWPTISA-N 483.656 5.220 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)CC1 1829368311 XTZJMCPEWWFGNJ-JOCHJYFZSA-N 476.061 5.359 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1cccs1 1829692256 HJWGIEKEQXXWKX-UTKZUKDTSA-N 470.038 5.310 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830054220 QJHUDDBQEXEYQL-HSZRJFAPSA-N 469.507 5.124 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)c1Cl 1830350078 QHFYFXNRZJBUJT-RGPPVUSESA-N 454.014 5.191 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC=C(C)C)CC1 1830359327 UFVYASPQPYCIRS-ZEQRLZLVSA-N 489.701 5.212 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2Cl)CC1)c1cccs1 1830570453 ORQWETIKUGGLPI-XTXLJPNXSA-N 489.012 5.213 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)cc3Cl)CC2)cc1 1830633075 CNNLAOCCTVEKGU-WOKXFPNESA-N 492.019 5.058 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3)CC2)c(Cl)c1 1830721883 ZHANTQNSOWYKKG-VWLOTQADSA-N 464.009 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)CC1 1830941149 CIDZPNQCSXFHCJ-HSZRJFAPSA-N 465.638 5.402 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3c(O)cccc23)CC1 1831018916 CIOABGUZIKKQEI-HSZRJFAPSA-N 463.622 5.166 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1831374564 QXWAMXVIDTWDCC-JXFKEZNVSA-N 454.508 5.290 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831448158 JOYCOXWNWXVKHB-RUZDIDTESA-N 495.570 5.006 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1831852522 QDNBSQOPQCQXGP-XMMPIXPASA-N 481.637 5.070 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832031341 LXRTVIZRIABJGL-JOCHJYFZSA-N 467.412 5.559 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719850 MXJCBRZRQZMSRB-MGPUTAFESA-N 487.855 5.471 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccccc3F)CC2)CC1 1832849723 NOQYUSOFMDLMSY-RDGATRHJSA-N 452.614 5.245 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)CC1 1838264587 GQGGCIOWEMFMKO-QJASNXPTSA-N 476.617 5.213 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 8936702 MRHVEVKWMNJVTA-LMKMVOKYSA-N 492.626 5.242 30 20 JKED C=CCn1c(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)nnc1-c1ccccc1 9448425 FTGGPSLHRWKNCM-HUUCEWRRSA-N 463.632 5.407 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173132 ARBKOPWHKCSYEB-UHFFFAOYSA-O 482.585 5.832 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nnc1-c1cccnc1 10811527 SSRKOWBBEYHSEG-UHFFFAOYSA-N 465.598 5.119 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15247955 BHZYBQSSTNTQQQ-UHFFFAOYSA-O 450.798 6.294 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 15606863 RZSAOMWFZJUXGW-UHFFFAOYSA-N 495.948 5.574 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccoc1C 21925098 JPGIWYZLLNDBGC-GOSISDBHSA-N 460.559 5.944 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2CC)cc1 22690277 WYHXWHUDFKMSQJ-UHFFFAOYSA-O 487.617 6.301 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(C)c2)cc1 22731735 VEWYZLMRPLXNRF-UHFFFAOYSA-O 475.512 5.631 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22802727 HUWJFSWDLOOOCI-UHFFFAOYSA-O 489.705 6.175 30 20 JKED O=C(Nc1cccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1)c1ccc(F)cc1 31133742 IYMDMVLPEWQSPN-HUUCEWRRSA-N 476.392 5.717 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCCc2cccs2)nc2scc(-c3cccs3)c2c1=O 69873389 XMSIGNKTZFYNLG-AWEZNQCLSA-N 487.697 5.274 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(OCCCC#N)c2)c1 108591910 FQAXMCURLBVSDH-UHFFFAOYSA-N 463.559 5.039 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 195677164 LTJKKPGTACIKSL-QFIPXVFZSA-N 461.635 5.279 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(-c3cnco3)c2)c1 195682831 UDJFWUGOSVBFRY-UHFFFAOYSA-N 454.511 5.196 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccncc1 255929547 HEDMAHDEVSMQIT-LBPRGKRZSA-N 467.904 5.318 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1 303076842 ZEHKECUTHRHKKB-UHFFFAOYSA-N 461.550 5.813 30 20 JKED CCn1c(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)nnc1-c1ccccc1C 303163897 ICKHNKDPDHUDLC-UHFFFAOYSA-N 497.624 5.763 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 303188047 VYDDMBHLJXBESS-UHFFFAOYSA-N 453.502 5.654 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccccn3)cc2F)c1 481598358 QDCJCQVRRSHWBD-AREMUKBSSA-N 452.489 5.582 30 20 JKED C=CCN(C(=O)c1cc2c(s1)CCOC2)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 482273749 TZPMETVEVNDAGM-UHFFFAOYSA-N 458.608 6.444 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 488024894 RLZPPMVFWKSSIA-UHFFFAOYSA-N 464.500 5.187 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1cccs1 499301531 PUWXTXWEWWQEDW-WBKMXMRLSA-N 477.659 5.801 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)CC2)c1 501693537 XKTADCKTZIRQMG-VWLOTQADSA-N 455.583 5.269 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cc1 508156451 HKXNKAFNZKGQHV-UHFFFAOYSA-N 453.380 5.324 30 20 JKED Cc1sc2ncnc(SCCC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2c1C 509155431 PTTAEKNJNYVPIM-UHFFFAOYSA-N 498.684 5.445 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 509672041 HUGCJGPIZICHFT-UHFFFAOYSA-N 484.533 6.275 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccccc1Cl 510601850 VFJBUPAWSAEZMS-OAHLLOKOSA-N 454.342 5.496 30 20 JKED C[C@H]1CN([C@@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c2c(F)cccc2Cl)CCO1 517474032 KXOZSXGXGOWAER-WWMYMODYSA-N 491.032 5.314 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 518649837 VMPDUEJEDZGNNN-UHFFFAOYSA-N 470.381 6.504 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 518676647 LBBHQDNHYCPGFW-UZLBHIALSA-N 475.536 5.649 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2c(F)cccc2F)cs1 518871098 VBTLZQUDJUHGTO-OAHLLOKOSA-N 465.506 5.892 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1nc(-c2c(F)cccc2F)cs1 520432315 YRXIXHHMLZCXQF-OAHLLOKOSA-N 489.482 5.694 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 520479655 HMQAOTIODIWROZ-DEOSSOPVSA-N 465.395 5.015 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 520600804 PBCAHXQNBJOMNP-UHFFFAOYSA-N 483.572 5.061 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(C)cc2)cc1 520842159 PNOYPXMNFHXGRN-DFBJGRDBSA-N 473.598 5.100 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3CS(=O)(=O)c3ccccc3)n2)cc1 521304391 XMGBCYQDHLHJAE-HSZRJFAPSA-N 488.590 5.283 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(N2CCCC2=O)c1 523190915 JZYYJVKEPZSERJ-FQEVSTJZSA-N 470.548 5.297 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)CC1 523438399 NZWGMXROZNJRAH-CZIZESTLSA-N 460.537 5.149 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 524272186 PURGIJPPCIUQRG-UHFFFAOYSA-N 490.386 5.187 30 20 JKED N#C[C@@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 589019180 ORFLUEBXABFYEA-AWEZNQCLSA-N 455.486 5.765 30 20 JKED N#Cc1ccsc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 603563688 VVPHPUPWVSZHHN-WJDWOHSUSA-N 451.507 5.636 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)n2)cc1 603564330 DFUHFGCMPAZJAN-IBGZPJMESA-N 471.369 5.232 30 20 JKED CCOC(=O)c1sc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c(C#N)c1C 603564335 DTJQMQVPNHPMFS-UHFFFAOYSA-N 472.897 6.244 30 20 JKED CCN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)[C@@H](C)c1ccc(C#N)cc1 603782667 FIQAJGUWCRRFOA-INIZCTEOSA-N 450.336 5.731 30 20 JKED CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(COc2ccccc2C#N)o1 603953491 LERMBWKZCOEFIQ-UHFFFAOYSA-N 485.462 5.238 30 20 JKED N#Cc1ccc(Oc2ccc(NCc3nc(O)c4ccc(C(F)(F)F)cc4n3)cc2Cl)cc1 604046366 BTSWIZPHVYJQQZ-UHFFFAOYSA-N 470.838 6.284 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 604146869 LEIULZQBDKRAIT-VWNXMTODSA-N 477.967 5.977 30 20 JKED COc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cs1 604504244 DWDHSCFFPHMDAV-UHFFFAOYSA-N 454.511 5.195 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CC3CCCCC3)c3ccccc3)cn2)c1 608798889 CHCFYAXQSVMFCR-VWLOTQADSA-N 468.557 5.512 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 608874731 UBRZJGYBULOKSD-UHFFFAOYSA-N 493.592 5.356 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccc(OCc2ccccn2)c1 609057959 AXYVDSZPSHGUDW-IBGZPJMESA-N 453.498 5.195 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](c1ccccc1)N1CCSCC1 609072428 LUPCBVLDWXZWPD-SANMLTNESA-N 457.599 5.174 30 20 JKED CN(C)[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccsc1 609080353 VSOYZPAJNDWBQT-OAQYLSRUSA-N 454.983 5.277 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1I 609090140 ZPTXGLZDNBQQFK-LBPRGKRZSA-N 452.704 5.353 30 20 JKED N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc1 609097135 BVRNPVUZEAEEEE-AREMUKBSSA-N 484.987 5.299 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 609197995 COEDWQRGEYSJAI-LBPRGKRZSA-N 469.485 5.188 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCc1ccccc1Cl 613401538 CNQRWYHQNKPWAK-QGZVFWFLSA-N 481.886 6.162 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5cc(Cl)ccc5s4)cc3)o2)cc1 613403239 MYPOTDOQDXFIME-IBGZPJMESA-N 470.941 6.465 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 620304455 AEKRZXPANHYDQO-HNNXBMFYSA-N 489.532 5.888 30 20 JKED O=C(c1ccc(-c2ccc(OC(F)F)cc2)s1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622379008 DPEDHGMHTJAXHK-UHFFFAOYSA-N 459.358 5.973 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)cc1 641906518 SFHOSHGQXFGLLH-ZCXUNETKSA-N 464.525 5.874 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H](C)c2c(Cl)cccc2Cl)n(Cc2ccco2)c1C 726029246 KNDRXVGXFXCQQA-CQSZACIVSA-N 474.344 5.210 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCc2ccccc2)cn1 726110274 FOOQNUYSLUISHR-JOCHJYFZSA-N 496.036 5.068 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc3ccccc23)N(CC[C@@H](C)OC)C1=O 726394710 YKUIHANCBGZZOS-KOSHJBKYSA-N 491.613 5.234 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)c(Cl)c1 726399242 MXZYAWKYTSWDQD-DJJJIMSYSA-N 481.952 5.004 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)cc1F 726416872 UGMVGTFEJUVDLI-INIZCTEOSA-N 489.878 5.010 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(OC)c(Cl)c1 726890439 KZUMMMWWQNOCAO-HXUWFJFHSA-N 475.998 5.118 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2F)c1C 727252667 KMKCRJGBBXRXFO-HSZRJFAPSA-N 493.608 5.128 30 20 JKED COc1cc(/C=C\C(=O)c2sc(-c3ccc(Br)cc3)nc2C)ccc1OCC(=O)O 727780153 IGYRQHMXSRTRBT-OQFOIZHKSA-N 488.359 5.249 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 727999117 MDQZQLKEXYIWSM-UHFFFAOYSA-N 466.837 5.168 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728777604 LNDACOXWNVUMHK-FQEVSTJZSA-N 472.973 5.442 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1 728778498 CVEHYULOTIISDS-NRFANRHFSA-N 485.009 5.393 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)c1 729634722 RQTAHLMTKYGHJS-QHCPKHFHSA-N 476.577 5.306 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccc(C#N)cc3F)C2=O)cc1 729818664 CGGTUBXQMWAXRP-QHCPKHFHSA-N 490.535 5.305 30 20 JKED COc1ccc(/C=C(/C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)c(Cl)c1OC 730435160 YBOAQACCCWHZMX-XMHGGMMESA-N 479.916 5.033 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 730691764 MENBWAJLYXIMIM-QFBILLFUSA-N 495.651 5.223 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)n1 730692407 XTPDMCQCVVBUBI-QRWLVFNGSA-N 458.898 5.109 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)c(C)c1 730712019 HQOUYAZZYWZIMD-JOCHJYFZSA-N 462.575 5.069 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 731067146 NAECNJXYNZORJV-GOSISDBHSA-N 488.569 5.520 30 20 JKED CC1CCN(c2ccc(CNC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2)CC1 731105999 PIGCKEWCYXETSZ-UHFFFAOYSA-N 478.647 5.260 30 20 JKED Cc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N/[C@H](C)c1cccs1 731311723 GYHDEYPEWPMBKD-PKWGXKOHSA-N 479.627 5.352 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc3cccnc23)C1=O)NCc1ccccc1 744996568 CVRXJHJNCVSAQT-DEOSSOPVSA-N 498.583 5.212 30 20 JKED COc1ccccc1-n1c(N2CCCCC2)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S 746033751 WSARNJHOPMDSSG-UHFFFAOYSA-N 476.650 5.142 30 20 JKED CCOc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 746687222 STSMNEYDXFEAJI-FNORWQNLSA-N 493.516 5.113 30 20 JKED CSc1ccc2c(c1)CC/C(=C\c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 748145992 DPKMIIWADMYFIK-LFIBNONCSA-N 455.004 6.416 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 751095857 WDJSZZAZPIRUET-UHFFFAOYSA-N 468.282 5.211 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(Nc2ccc(SC(F)F)cc2)s1 813792623 SQCQOZOTGBSBGD-UHFFFAOYSA-N 463.560 5.589 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837451173 SINNIKVTIDLDGS-JPYJTQIMSA-N 476.577 5.559 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](C)c2ccccn2)C1=O 837517550 KNXMJYBHBOTFGM-VGSWGCGISA-N 479.005 5.765 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)cc1Cl 837535381 DKEWXKLZPIGSLV-OPAMFIHVSA-N 495.004 5.465 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nnc1-c1cccc(C)c1 855521575 PHQWXHLSUWBSTJ-LLVKDONJSA-N 468.451 5.254 30 20 JKED N#Cc1c(Cl)cccc1Oc1cccc(-c2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)c1 856556412 MZFAPTQZAQCLIQ-GOSISDBHSA-N 462.937 5.560 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(-c2nc(C)no2)ccc1Cl 904579099 LESLEFAWVYHFJG-UHFFFAOYSA-N 457.861 5.099 30 20 JKED N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)cc1 904669275 UJOSAVLVYAYRIB-QGZVFWFLSA-N 495.848 6.318 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)NCc2cccs2)cc1 912837865 ZIOMROJBVCERHI-UHFFFAOYSA-O 466.652 5.005 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 914538855 XLPQXRTVMFJRMZ-OFNKIYASSA-N 472.614 5.098 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N([C@H](C)Cc2ccco2)C1=O 914690736 DEJISNLPYLCCPI-JPYJTQIMSA-N 477.586 5.188 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(Cl)c2)c(C)s1 914694870 WVGCPRSJLLEAKA-BFUOFWGJSA-N 462.040 5.380 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915086750 MMFUXOXMRSXQCG-RZIGYZOXSA-N 481.596 5.763 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101900 OBXCINQEVWBZQP-KRWDZBQOSA-N 499.042 5.582 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103525 WOABNXSPZWBQTQ-INIZCTEOSA-N 469.353 5.976 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915104056 JDSVPCPBZVNSCD-ZYHUDNBSSA-N 468.685 5.491 30 20 JKED N#C[C@@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc2ccccc2n1C(F)F 915106736 FQCBLVMTJOOQTF-SFHVURJKSA-N 471.467 5.237 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c(-c2ccccc2)cc1OC 915270953 WLYJMRMBIQSBFG-UHFFFAOYSA-N 481.577 6.000 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 915592688 SJIHABBONKDGBS-GOSISDBHSA-N 493.560 5.249 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1Cl 916056591 FNVUSTNUYJWKKV-UKILVPOCSA-N 457.961 5.629 30 20 JKED COc1cc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O 916154432 KDOXHLTXAYJMNM-VZHHCOETSA-N 467.521 5.406 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccccc2F)cc1 916205541 JZYMWMUSVLVFON-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 916206375 QRCCJQWREDEGJC-SFHVURJKSA-N 467.488 5.461 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(C2CC2)C1=O 916206910 AUBNSOXREOKCQF-FQEVSTJZSA-N 457.983 5.088 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O)Nc1cccc([N+](=O)[O-])c1 916209561 NJUKIVCCRSJQPY-IBGZPJMESA-N 484.921 5.002 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 916216783 YRDFRQWOMHSXNG-LJQANCHMSA-N 479.524 5.011 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cs1 916266779 GAWWOIZKDXAIOE-UHFFFAOYSA-N 486.984 6.187 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 916695444 LFXOEQFRTHJVKZ-FLKYFCFGSA-N 495.432 5.175 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCn1c2ccccc2c2ccccc21 916900527 PXGTWDDWFCWMJX-LJQANCHMSA-N 459.933 5.503 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916927650 AAPNLNZIIDOTOG-GFCCVEGCSA-N 462.314 5.170 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916936675 SMQCPJFVUIYWLY-GFCCVEGCSA-N 455.923 5.778 30 20 JKED CCOc1cccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3ccccc3c2)c1 917698540 RJCGOJUQJYUJQH-XMMPIXPASA-N 473.598 5.039 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(C)c3)C2=O)cc1 917700067 CBLTWNUOOODXIC-RUZDIDTESA-N 496.592 5.230 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccsc2)C1=O 917704725 XVXKBQPEIOCZRP-OAQYLSRUSA-N 495.029 5.742 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CCCCO2)ccc1Cl 918394240 MUQKMIAFUIAGLN-GOSISDBHSA-N 497.444 5.016 30 20 JKED N#CCOc1cccc(NC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)c1 919984451 KUIYKPPEQGTTAC-UHFFFAOYSA-N 451.313 5.551 30 20 JKED CN1C/C(=C\c2csc(-c3ccsc3)n2)C(=O)/C(=C/c2csc(-c3ccsc3)n2)C1 920063033 SLFLWFXJRRIXRZ-KGMKFKQSSA-N 467.666 6.038 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(C)nn(Cc4ccc(C)cc4)c3Cl)n2)cc1 920144258 ZJWNAQUEVUNENO-HXUWFJFHSA-N 476.989 5.824 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)OCc1csc(CC(=O)Nc2ccccc2)n1 920502575 YVXODKQTSHZHDV-UHFFFAOYSA-N 453.523 5.220 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)on1 1785797311 GGNPRNAYKZZETF-UHFFFAOYSA-N 456.546 5.050 30 20 JKED CC(C)c1csc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)n1 1785880685 SRPTUDZKDIBZKM-UHFFFAOYSA-N 458.587 5.129 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCC(=O)Nc4ccccc4)cc3)CCC2)cc1 1786112846 MXFMCMWBMVLXSL-UHFFFAOYSA-N 480.568 5.115 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1786365975 BJVPDOIEXNNSIK-ZEQRLZLVSA-N 467.009 5.560 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)F)c4)cc3)CCC2)c1 1787019767 ZTOGPDAFNAFLOU-KRWDZBQOSA-N 474.511 5.708 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(F)(F)F)cc2)CCC1 1787353626 CAUIBPGHFVPAAK-UHFFFAOYSA-N 453.411 5.060 30 20 JKED Cc1cnc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)c1 1787568431 VQKIHKJLIFTBED-UHFFFAOYSA-N 476.939 5.045 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccs4)CCC3)cc2)c(C(F)(F)F)n1 1788356298 DRADWGNLQCWYGY-UHFFFAOYSA-N 470.476 5.095 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(OC)cc3F)cc2)CCC1 1789189725 QHFRVXIADAHNGY-UHFFFAOYSA-N 460.496 5.112 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-n4ccnc4)ccn3)CCC2)cc1 1789626486 RFBWDLHQEJNXGF-UHFFFAOYSA-N 457.578 5.007 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nc[nH]c45)CCC3)cc2)c1Cl 1790081866 WNBQKXNCAYRGMT-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC1 1790296210 WWNYPLMMWFLTTD-JOCHJYFZSA-N 496.007 5.004 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)CCC3)cc2)cc1 1790707116 DIZLCEZSXNTJJV-UHFFFAOYSA-N 484.506 5.574 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccco4)CCC3)cc2)ccc1Br 1790744761 QZHINDZHYIQRDE-PKNBQFBNSA-N 490.357 5.375 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785202 WHHUEKXIXPARIT-MRXNPFEDSA-N 486.494 5.126 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3cccc(F)c3F)cc2)CCC1 1791379018 QLDNTGZELMTNNL-VAWYXSNFSA-N 480.536 5.142 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C3CC(C)(C)C3)cc2)CCC1)NC(=O)OC(C)(C)C 1791653429 WWISTNUXXWTYMD-JOCHJYFZSA-N 483.653 5.416 30 20 JKED Cc1noc(C)c1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123227 OICCVGSNCVAAQH-SFHVURJKSA-N 470.573 5.299 30 20 JKED CC(=O)Nc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1 1792123934 UMGMVWLSTCCVBY-FQEVSTJZSA-N 494.595 5.262 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CCC1 1792166478 TVCYWWXCJFJNQQ-UHFFFAOYSA-N 480.612 5.383 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(NC(C)=O)ccc3Cl)cc2)CCC1 1792192135 RBPPSJHLPPPOKO-UHFFFAOYSA-N 465.981 5.240 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 1793936690 AQRWCVSWZHWWLB-UYCSHIEESA-N 481.518 5.298 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2cccc(C(F)(F)F)c2)[nH]n1 1794715067 BFIUYDIIGWKQCY-WKCHPHFGSA-N 486.538 5.116 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)C2 1798417634 UKIDTEULRKVEMT-REPLKXPHSA-N 495.523 5.062 30 20 JKED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2-c2ccc(C)cc2)c1 1800605077 REUUFAZLFOJBCP-QEIWAGNOSA-N 479.580 5.108 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4cccc(Cl)c4)CCCC2)C3)c1 1800686992 ZPPLZPDIHXRKLD-KOUNCHBCSA-N 479.983 5.115 30 20 JKED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800811913 JFWKHGNDQIMJDP-NUNAXRQHSA-N 452.554 5.297 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cccc(Br)c2n1 1800916353 UUWNEYDHHCZWLA-ACDBMABISA-N 482.422 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C)CCC(NC(=O)OC(C)(C)C)CC1 1802072593 SFKWHQYMSJZTFS-WXFFZTEDSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1802496691 MBEOYFXVTHPXQK-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c1Cl 1802709715 CCIVSQHAHPDHLF-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(OCCCC(F)(F)F)cc4)CC3)C2)C1 1804785357 AAMBEDHETMLOQN-UHFFFAOYSA-N 478.555 5.219 30 20 JKED CC(C)c1csc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)n1 1804793399 QCTQDCVYJHOROG-ZJSXRUAMSA-N 496.753 5.032 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCC3CCCC3)[C@H]2c2cccnc2)cc1C#N 1806208670 DYOVTSOFSJUOIW-RBJSKKJNSA-N 488.632 5.030 30 20 JKED N#CCc1ccc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4cccc(C(F)(F)F)c4)C3)CC2)cc1 1806489670 JXLPCSHUVLSJOK-JXMROGBWSA-N 495.545 5.330 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1810177211 CJLHFHFMYHICPM-AGILITTLSA-N 451.998 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)[C@H]1c1cccnc1 1810491877 HKZPCJRUPHYLCR-RDPSFJRHSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1810505355 RREHTDCWEDTMOB-RDPSFJRHSA-N 480.008 5.793 30 20 JKED CCC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1)n1cccc1 1810936460 QXNYTMBBTHOTNR-RDGATRHJSA-N 460.622 5.001 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1Cl 1814591266 CSNGOGCEABKGQT-UZUQRXQVSA-N 475.980 5.618 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)[nH]n1 1814824181 OEZHXWUDDIIDOI-IBGZPJMESA-N 487.000 5.155 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)[nH]n1 1814826769 AHZLYWVOWRAFAC-XYSUMVETSA-N 457.578 5.365 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1)c1ccccc1 1814931848 QWUSFPNMZJOGIB-ILBGXUMGSA-N 473.552 5.166 30 20 JKED Cc1ccc2oc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)cc2n1 1817691551 AYIZAQWEUNCREP-HXUWFJFHSA-N 488.935 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCNc2ccc(C)cc2C)n[nH]1 1819463949 RTRBVCSZZPMIGB-XUZZJYLKSA-N 463.626 5.289 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)[nH]n1 1819554525 FHYNYIMUMMSBQF-QFIPXVFZSA-N 462.594 5.227 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)CC1 1820222707 FDMFGZXDKNSJEP-JXXFODFXSA-N 453.974 5.067 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237376 ITXSUIXHUHTQJN-JOCHJYFZSA-N 459.525 5.071 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1 1820903121 DWQOMXUIZAPKNF-WBPGVZHSSA-N 499.656 5.008 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(CC=C)CC=C)[nH]n1 1820914767 ONTWVTAAJNAHHF-RBBKRZOGSA-N 499.656 5.030 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1820977745 WYEAFFPLNXGFII-NBGIEHNGSA-N 489.620 5.297 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(Cl)ccc(Cl)c3O)[nH]n2)cc1 1821180823 DTBYQBKMYSEZHR-LJQANCHMSA-N 498.370 5.108 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)s1 1821182389 QBNCRGHSXGITMA-FQEVSTJZSA-N 475.618 5.454 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(Cl)cc3Cl)n[nH]2)CCC1 1821861881 VEANSZODGCEFQR-IBGZPJMESA-N 474.392 5.035 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823309720 FEZHBSZRMJMQBT-IAGOWNOFSA-N 499.826 5.249 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccc(F)cc2)CC1 1823968371 FGJCCNSEHMJKCU-DEOSSOPVSA-N 458.618 5.207 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824449498 LJPZFVKSXYRIRO-HSZRJFAPSA-N 462.556 5.061 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827328837 TXZZBEGVQCMZSU-AREMUKBSSA-N 477.674 5.210 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)oc2ccccc12 1827682834 OEYIBLLFTCKQQZ-LEQVUBRHSA-N 490.625 5.475 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828161424 PXVJZKIXFKTLRG-CPJSRVTESA-N 469.576 5.448 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1828829892 JUNOKABFNWXXEI-DHIUTWEWSA-N 483.056 5.298 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 1828903298 FABUXQZFBOZGBA-YADHBBJMSA-N 466.689 5.093 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829564793 CBTJLEZDSNDAII-VWLOTQADSA-N 482.628 5.389 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)CC1 1829819802 XPZDOQCURAIIJB-DEOSSOPVSA-N 454.659 5.028 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c(Cl)c1 1829895386 VMFHEQWBVOQHBD-HSZRJFAPSA-N 470.400 5.412 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3CSc3ccccc3)CC2)CC1 1830708289 RGGAFVZKYPFHSO-AREMUKBSSA-N 487.669 5.516 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)s1 1830717535 WSHRDBLIZNCDOY-QHCPKHFHSA-N 496.652 5.434 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1830782815 FLDLHSAPBOTYMN-MHZLTWQESA-N 487.644 5.050 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1830796212 VNJMOFBUJNBZNN-JOCHJYFZSA-N 466.544 5.217 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc4ccc(Br)cc4c3)CC2)C1 1830875514 UFNFJVAGSGRHPV-XMMPIXPASA-N 496.449 5.197 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1831305798 ALRQCOCUUMRDIE-JWQCQUIFSA-N 457.058 5.666 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1C 1831712890 GJKHABXNGHKKQS-VWLOTQADSA-N 494.035 5.005 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1832030548 SIAJVZOVEDTTJS-SANMLTNESA-N 468.613 5.041 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(c3)CCCO4)CC2)c1 1832562378 GPNSMRGIDJQGAV-ZBLYBZFDSA-N 485.628 5.186 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(Cl)c3)CC2)c(C#N)c1 1832609469 FADZFDZCAPINNQ-SANMLTNESA-N 494.035 5.005 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 1832631705 HCVNCMNFCGWGDH-NBGIEHNGSA-N 469.585 5.607 30 20 JKED COc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832635500 IAODCCZCUOEFHR-AFMDSPMNSA-N 477.580 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832683119 FPQPUVHIYTXHFU-MNNSJKJDSA-N 499.655 5.650 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(F)(F)C(F)F)CC2)cccc1C(F)(F)F 1832700283 SXQCFHXIHGGVJX-KRWDZBQOSA-N 482.440 5.148 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)C1 1845123084 ZTZFUHDNUKRPBG-CTNGQTDRSA-N 466.025 5.213 30 20 JKED CCc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2Cc2ccccc2)cc1 8621031 AKYFCVPXVIGEQF-HXUWFJFHSA-N 497.624 5.459 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1c(C)cc(C)cc1Cl 10178951 YABKWJHGULATLX-UHFFFAOYSA-O 454.015 5.866 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2CC)c1C 11259170 MXZCCRWJPWVVAK-UHFFFAOYSA-O 499.056 5.671 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccs2)nc2scc(-c3cccs3)c2c1=O 11381361 TXFQEENUFITZNY-ZDUSSCGKSA-N 473.670 5.404 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C(C)C)C(C)C)nnc1-c1ccc(Br)cc1 16832761 ASQYWLVVLFCFNS-HNNXBMFYSA-N 451.434 5.020 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)c2ccccc2)c(Cl)c1 18065114 SZXGJHMPGFLBQK-LDADJPATSA-N 450.878 5.476 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2scc(-c3cccs3)c2c1=O 20076396 NVFTZLINIGCPKD-UHFFFAOYSA-N 478.624 5.169 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 22137484 LEZNHIVKIUUZSX-HFJWLAOPSA-N 479.650 5.419 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2cccc3ccccc23)cc1 22693231 DANLZNRROCBUOV-UHFFFAOYSA-O 490.446 6.503 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccccc1C 23338883 ISYNUWAAUYEXAX-HXUWFJFHSA-N 498.612 5.074 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2sc(C)c(C)c2c1=O 26010790 QMNGHAISUNLQPX-INIZCTEOSA-N 480.640 5.187 30 20 JKED C[C@@H](c1nnc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccc(Cl)cc1)N(C)C 28893232 NFOOKZURHZCRSM-AWEZNQCLSA-N 489.432 5.189 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 32785809 GTZQRBYYVOADCX-MRXNPFEDSA-N 471.424 5.245 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CC1 32976578 FTVXEIUCAUXRSZ-UHFFFAOYSA-N 494.857 5.256 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@@H](C)C(=O)NC1(C#N)CCCCC1 39534897 WGGUSYNVLFGZTO-KRWDZBQOSA-N 490.073 5.695 30 20 JKED Cc1ccc(-c2csc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 43805428 ZQZFFGFWLJMIPM-UHFFFAOYSA-N 459.531 5.093 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2c(CSC)nc3ccccc32)cc1 60347592 RWCAVTKYBOWIBK-UHFFFAOYSA-N 458.543 5.211 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)s4)c3C#N)C(C)(C)C2)o1 96458276 YMHQRVSHYOGWHW-ALCCZGGFSA-N 483.644 5.464 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 138309841 QAGUOLFZVTXRPZ-UHFFFAOYSA-N 498.345 5.341 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CC1 195664190 LCUUIJAICQTPIF-HNNXBMFYSA-N 477.933 5.162 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)nnc1-c1ccccc1F 195677208 ZLBYMOKNVHZGQC-HSZRJFAPSA-N 480.609 5.515 30 20 JKED C=C(Br)CNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 195706643 ZXYOZOKGORMHMZ-UHFFFAOYSA-N 478.462 5.594 30 20 JKED CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 202112423 CVVXUZRZYUJFDS-UHFFFAOYSA-N 481.489 7.678 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)cc1 255338339 JQIZIGRUGQVJAF-JOCHJYFZSA-N 480.540 5.083 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)C2)c1 303223583 VNZCKBMTXQDDSX-RPLLCQBOSA-N 482.584 5.199 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)cc1 303226267 WWWNAJKZWNLVGX-FQEVSTJZSA-N 455.558 5.297 30 20 JKED Cc1cc(N2C[C@@H](C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2=O)ccc1Br 303358685 PKODZVTZGDRIIV-CVEARBPZSA-N 472.408 5.143 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 479341357 FEPQKJBDYVTDEC-LJAQVGFWSA-N 486.575 5.192 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(OCc2ccccn2)c1 481569863 HQEIDZODZZEPBB-FQEVSTJZSA-N 496.542 6.133 30 20 JKED C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 483292876 HVEHEFNBWGRTBH-FQEVSTJZSA-N 477.539 6.037 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCNC(=O)c1ccc(F)cc1F 501144761 BFYSOGBVXWREBC-UHFFFAOYSA-N 465.475 5.027 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 509900212 HAWKJBQELIQDSZ-UHFFFAOYSA-N 483.568 5.467 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cn3cc(Cl)ccc3n2)cc1Cl 510023963 OWUNMYAUNAGPLL-HXUWFJFHSA-N 450.329 5.618 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1Cl 510042037 GFSVHWUUZIGLOR-AREMUKBSSA-N 482.971 6.291 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N(CC)[C@@H]2CCSc3ccc(Br)cc32)c1 510382946 WGRNSCYTRAJVQD-HXUWFJFHSA-N 489.435 5.428 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)sc2c1CCCCCC2 511073915 ISHXPOUOJCVYGH-UHFFFAOYSA-N 458.996 5.713 30 20 JKED COc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC(F)F 511440457 SNBCMHVIPNLGRK-UHFFFAOYSA-N 467.472 5.263 30 20 JKED COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(C)C)cc1 511561416 IWSRDWWMLJFUFD-VWLOTQADSA-N 457.530 5.061 30 20 JKED CCCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c1 512322233 XFINGFYDNRKAKA-LEWJYISDSA-N 496.567 5.046 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 512325441 WRTYUTFYJRWXML-UHFFFAOYSA-N 488.544 5.079 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)ccc1OCc1cscn1 512536337 QESFUOZGVKVQDE-UHFFFAOYSA-N 487.537 5.656 30 20 JKED Cc1cc(C)n(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)n1 513987190 JDXKRYLSJKXCJG-UHFFFAOYSA-N 453.521 5.734 30 20 JKED C=CCN(C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 515327640 HNPBWSCJGWMBCE-UHFFFAOYSA-N 463.566 5.891 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCc3csc(C)n3)n2)cc1 516270132 NFUJJISDATWWLX-HXUWFJFHSA-N 461.568 5.653 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)c1nc(-c2ccccc2)cs1 516462670 ALIBZJDIWWHAPO-QFIPXVFZSA-N 475.614 5.037 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C(C)C)cc2)n1 516794830 NJWSCPHAZKCFAF-OAQYLSRUSA-N 484.581 5.786 30 20 JKED C=CCN(C(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 517300046 OBBPKLGQXOKCRV-LJQANCHMSA-N 498.670 5.632 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nccn1-c1ccc(Br)cc1 517450635 HFBGBRLCWUVSBS-HNNXBMFYSA-N 487.448 5.617 30 20 JKED C/C=C\c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(OC)c1 517461899 SFUBJPGPPVSUJH-HYXAFXHYSA-N 450.482 5.770 30 20 JKED CCCN(CCC)C(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 518898588 OPGRJQDAZAYNBC-UHFFFAOYSA-N 471.605 5.595 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 521328758 GDVJLBBTXXDPFA-OAHLLOKOSA-N 487.553 5.412 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCc3cccc(NC(=O)Nc4ccccc4)c3)o2)cc1 524134027 HJVKHIWZAKCYRF-UHFFFAOYSA-N 466.497 5.304 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 524412952 IAIHEMKSKQBCNI-GDLZYMKVSA-N 489.575 5.426 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 524454585 KYGFFYOGLGLOKA-UHFFFAOYSA-N 461.880 6.146 30 20 JKED C=CCN(CC(=O)Nc1c(Br)cc(C)cc1Br)Cc1cccc([N+](=O)[O-])c1 553936255 WNIDSAUQHNZJNL-UHFFFAOYSA-N 497.187 5.055 30 20 JKED Cc1cc([C@H](C#N)C(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)nc(C)n1 589830071 FWPWFXHCSIFPAT-KRWDZBQOSA-N 493.411 5.296 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 594934083 PWRKEANFFBZRPW-FQEVSTJZSA-N 463.647 6.264 30 20 JKED Cc1cccc(-n2nnc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c2C)c1 603962125 FEMHUQYPSPLERY-UHFFFAOYSA-N 482.491 5.074 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)s2)cc1Cl 604143367 UJCBPKJBIMHWPA-SFHVURJKSA-N 458.370 5.008 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)cn2)c1 604213983 ZLPWRNTTWSDDRH-NRFANRHFSA-N 481.339 5.355 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 604553838 GVSLGCFAIAYCRN-UHFFFAOYSA-N 481.350 5.189 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1Cl 608994904 VTZPYBALSFPBTL-RDPSFJRHSA-N 467.903 5.879 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccc(F)cc4)c4ccncc34)CC2)nc1 609049806 VPIMUHPJJZLYDF-UHFFFAOYSA-N 482.519 5.223 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)c3ccco3)cc2F)c1 609110679 OMGSDRHTBBOKMQ-VWLOTQADSA-N 495.510 5.075 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 609370917 JFOWHWRDWFHJJI-ZDUSSCGKSA-N 459.597 5.403 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)CC1 609428993 FKJBTLSAFUBYFT-XMMPIXPASA-N 466.516 5.170 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CNCCSCc2ccccc2C#N)cs1 611560039 FPLODVYMEUKIJN-UHFFFAOYSA-N 490.576 5.741 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nc2cc(Cl)ccc2c1=O 613817048 SKQPGYOPZOULOI-HNNXBMFYSA-N 467.978 5.294 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nc2sccc2c1=O 613907416 MBOUZLSURJWYMM-KRWDZBQOSA-N 480.442 5.407 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 626586202 JNIQSTOVAANGCG-UHFFFAOYSA-N 471.380 5.061 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 643049845 QWKCRRAZJGSIQW-GJZGRUSLSA-N 488.453 5.112 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 726324751 FNQBYQPIHYCDHH-IBGZPJMESA-N 499.539 6.380 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N/[C@H](C)c1ccc(Cl)cc1Cl 726396074 IDXXFKOVFKWMBY-PTTNDTPESA-N 490.412 5.025 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(C2CCCC2)C1=O 726413294 XFTMQKGOXFOQQS-HSZRJFAPSA-N 499.608 5.526 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414405 AQLPEGUPTFXCIF-YADARESESA-N 497.661 5.333 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H](C)c1ccccn1)c1cccs1 726421592 OCLMJGMTJCQWCQ-YKKHSHCJSA-N 499.061 5.948 30 20 JKED CC(C)N(CCC#N)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 726532551 DZWVJLZHOCLVTC-UHFFFAOYSA-N 454.646 5.720 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2[nH]c(C)c(C(C)=O)c2CC)cc1 726571284 QQMCHLNNVVJXSA-UHFFFAOYSA-O 494.040 5.786 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccccc2Cl)n1 727628763 YAIBNEBUFQSNEP-GOSISDBHSA-N 473.941 6.217 30 20 JKED CCCCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 728119484 NDJKUDURWAJTCO-DEOSSOPVSA-N 476.621 5.386 30 20 JKED N#Cc1cn(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c2ccc(Br)cc2c1=O 728704773 LRJNLHUPZAXYTR-UHFFFAOYSA-N 486.329 5.690 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CCCCC#N)c1 728779809 LNGXAWBTCJVCQP-JOCHJYFZSA-N 499.036 5.565 30 20 JKED COCCOc1cccc(F)c1C(=O)/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1 729240106 AAKRKGAJQKMWMA-OUKQBFOZSA-N 453.897 5.653 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(NC4=NS(=O)(=O)c5ccccc54)cc3)c2)cc1 729375232 ADIWDXJQXWSPPF-UHFFFAOYSA-N 494.532 5.164 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12)c1ccccc1 729889980 VLGKQSWIDYDRMO-XZOQPEGZSA-N 471.557 5.533 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730966409 VUKMZLVRSYMPJA-UHFFFAOYSA-N 455.267 5.176 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c3ccccc3n(C)c2s1 731065082 ZJLBEEJILXOPTQ-HNNXBMFYSA-N 463.584 5.440 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCCC1 731068504 FVTGUJCDIPJZEZ-KRWDZBQOSA-N 456.995 5.585 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC2)C1=O 745990979 MYHWWSXJGYXPST-GOSISDBHSA-N 464.374 5.125 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCOC2CCCC2)cc1 747042523 FDBWHXZUQUGOQC-HSZRJFAPSA-N 481.618 5.005 30 20 JKED CCCCCOc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OC 747045541 DKKXSHPIMFZBKP-UHFFFAOYSA-N 461.587 5.893 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1F 747599180 GWGZJWBYSKOJCP-GOSISDBHSA-N 492.960 5.235 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCc3nccs3)C2=O)cc1 747600102 NLDPEARZSCWXLU-OAQYLSRUSA-N 494.642 5.135 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 749360921 LYGNPGAKMHCHPQ-UHFFFAOYSA-N 454.578 5.367 30 20 JKED CC[C@@H](C)Oc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)ccc1OC 749443457 GEWIZBOEZXFNLX-CYBMUJFWSA-N 481.405 5.521 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccc(Oc3ccccc3)nc2)C1=O 749444116 RAOXVCNPIHLFFN-HSZRJFAPSA-N 488.613 5.265 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(OC3CCCCC3)cc2)cc1 750379668 TYOZZYVAALRDPB-HHHXNRCGSA-N 467.569 5.308 30 20 JKED CC(C)CN(CCC#N)C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 751199846 ALCGSOOCPQMNMC-MRXNPFEDSA-N 454.621 5.084 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cnn(Cc2ccccc2Cl)c1 767113738 HBYGIUYIPDUGIZ-UHFFFAOYSA-N 463.781 5.321 30 20 JKED COc1cc(/C=C2/CSc3c(F)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 767903589 GCWQFXZWPZOXNO-WJDWOHSUSA-N 483.948 5.877 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(F)(F)F)cc1 799218479 AIQWLVGPQUKACI-HXUWFJFHSA-N 471.504 5.671 30 20 JKED COc1cc(/C=C2\Cc3c(O)cccc3C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 810249890 IRGCUSARDZSRJN-OQLLNIDSSA-N 467.880 5.033 30 20 JKED C=C(C)CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)SC1=S 814292170 PKVVSKMYNBALMK-ODLFYWEKSA-N 459.976 5.345 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 839416226 TWIGLXPFLRGDPS-UHFFFAOYSA-N 470.533 5.020 30 20 JKED COc1ccc(-c2nc(Cc3noc(C4(C)CCN(c5ccc(Cl)cc5C#N)CC4)n3)co2)cc1 904330927 YWJRCOVYCSNXJN-UHFFFAOYSA-N 489.963 5.407 30 20 JKED C[C@H](Cc1noc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1)N(C)C(=O)OC(C)(C)C 904655484 LSICRDSIVZBUNM-LLVKDONJSA-N 485.400 5.824 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 914544235 SGMGSMOXRLUUHU-GBXCKJPGSA-N 472.614 5.098 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 914547707 ZJVGOSPZZVJULO-HYBUGGRVSA-N 472.614 5.098 30 20 JKED Cc1oc(NC(=O)COC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c(C#N)c1C 914963582 FESSSZXJQJQWQH-UHFFFAOYSA-N 456.829 5.451 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc([C@@H](C#N)c5ccccc5)cc4)cc3C2=O)c1 915087827 ANZXGHHBRZCQBI-MHZLTWQESA-N 485.543 6.012 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2ccccc2n1C(F)F 915104574 SCQBGBPXTIACSR-QAPCUYQASA-N 477.298 5.219 30 20 JKED CCOc1cc(/C=C/C(=O)c2c(C)[nH]c3ccccc23)ccc1OCCn1c([N+](=O)[O-])cnc1C 915114217 GZFGOBVNCDLCDT-PKNBQFBNSA-N 474.517 5.263 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1csc(-c2ccc(F)cc2)n1 915466731 CUVPMSKMBPAJHZ-UHFFFAOYSA-N 491.338 5.104 30 20 JKED CCOc1cc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)ccc1O[C@@H](C)C(=O)N(C)C 916130110 IDOLFLKOVQLRIJ-PPYMECGQSA-N 486.362 5.346 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)c(Cl)c1 916205595 QQLDGHQCHRLHER-QGZVFWFLSA-N 487.906 5.868 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c1 916693175 BKGWQAMSDUECLJ-VVJBIOMHSA-N 497.020 5.064 30 20 JKED N#C[C@@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 916846038 FBPOZKMPEJKZHH-AWEZNQCLSA-N 460.386 5.782 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCC(=O)c1c(C)cc(C)cc1C 916899570 JOZWZXHMPAAROP-GOSISDBHSA-N 454.954 5.283 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 916904021 ZITJFTJVYFOQPQ-OAHLLOKOSA-N 459.354 6.000 30 20 JKED N#C[C@H](C(=O)CCCOc1ccccc1Br)C(=O)Nc1cccc2ccccc12 916918913 RWFNBNHLTSVAME-GOSISDBHSA-N 451.320 5.109 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1 916950256 SMUGSTJQJZMYEV-SBUREZEXSA-N 496.007 5.062 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1OC 916976427 OETGYAHAWZWLMV-GOSISDBHSA-N 496.013 6.023 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043705 NVNVWOPASYCULG-INIZCTEOSA-N 488.516 5.478 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1nc2cc(Cl)ccc2s1 917044508 SXWJFSXLJUJQCU-QGZVFWFLSA-N 491.922 5.697 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc2cc(C(F)(F)F)ccc2s1 917044667 TXTKCZBGRMRYGU-GFCCVEGCSA-N 462.478 5.626 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(I)cc2)cs1 917563289 ORDYOGUWNJQHQR-DHZHZOJOSA-N 492.313 5.468 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)Cc2ccccc2-3)cc1 917612294 OMOFMTUIGVSUEU-UHFFFAOYSA-O 460.582 6.049 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(C)c1 917668760 FNDDEEXXUUXKBC-LJQANCHMSA-N 493.601 5.307 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccnc(C)n2)cc1 917682933 MXYWLZXSUWZITI-VWLOTQADSA-N 495.608 5.407 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 919773546 QRLDDMKRKLYDGB-CYFREDJKSA-N 452.583 6.657 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2C)no1 920353340 HLSQPOMPZOQWSC-HXUWFJFHSA-N 468.966 5.105 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3c(C)noc3C)C2=O)cc1 920353664 PBIJNTHPONXNOD-QHCPKHFHSA-N 476.602 5.377 30 20 JKED N#C[C@H](C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1nc(-c2c(F)cccc2F)cs1 920804243 MUNSZCQFHOOCJJ-CQSZACIVSA-N 496.564 5.005 30 20 JKED N#CCOc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c1 920846347 RMKFQHHRMYCWKS-UHFFFAOYSA-N 473.330 5.456 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(C)C)c1 920871460 TUPMDILWNYAWPH-FDDCHVKYSA-N 483.634 5.061 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c1C 921253861 QFUOYAKTUJDVQM-JXFKEZNVSA-N 493.551 5.231 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)c1 1786036145 KRIQPZXIJVPHEZ-UHFFFAOYSA-N 457.496 5.358 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)cc2)CCC1 1786308503 HJFSZHYMARDJBN-RUZDIDTESA-N 489.616 5.108 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1786367342 LKIMJKSSSXVWSF-UHFFFAOYSA-N 459.546 5.072 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1786679138 HHJLXSSKIRAUHM-UHFFFAOYSA-N 473.520 5.244 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccncc4)cc3)CCC2)c(Cl)c1 1786770290 GAMBJFGWKADSJR-UHFFFAOYSA-N 476.989 5.147 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4scnc4C4CC4)cc3)CCC2)c(Cl)c1 1787186596 TZTVRFGELAKUJJ-UHFFFAOYSA-N 476.989 5.607 30 20 JKED Cc1cnc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)s1 1787218516 ZBQBWXKNGMAJNE-UHFFFAOYSA-N 450.951 5.038 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccoc3C)cc2)CCC1)c1ccc(O)cc1 1787367472 VAULDDNNMBTNEM-OAQYLSRUSA-N 456.542 5.239 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)nc4)cc3)CCC2)c1 1787427066 WBJOSSFYBOLZSU-UHFFFAOYSA-N 482.437 5.173 30 20 JKED COc1ccc(F)cc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788648341 BQWJYTSBEWCCHC-ZRDIBKRKSA-N 478.545 5.083 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)cc3)CCC2)ccc1F 1789531410 CXCNEFBAPDVKRE-QKDODKLFSA-N 497.595 5.262 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nnc(-c4ccccc4)o3)cc2)CCC1 1789565939 ZWWMOVNXGLNMMG-JOCHJYFZSA-N 456.546 5.253 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4[nH]c5ccoc5c4-c4ccccc4)cc3)CCC2)C1 1789994546 HGGMVLUQSOTBQY-UHFFFAOYSA-N 465.553 6.142 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5ncccc5c4)CCC3)cc2)c(C#N)c1 1790473117 VLFOQWNZNXBDAT-UHFFFAOYSA-N 490.563 5.105 30 20 JKED CN(C)c1c(F)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1F 1790707216 FUNAWSJZQFGDRJ-UHFFFAOYSA-N 488.538 5.158 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)CCC1 1790812631 GIDOEMDYCQTWFE-QHCPKHFHSA-N 491.613 5.234 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3cc(Cl)ccc3OC)cc2)CCC1 1791185879 IFGACQZWDGWOQW-UHFFFAOYSA-N 452.982 5.219 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)CCC2)cc1 1791249886 CZHMUENZBMIVPW-IBGZPJMESA-N 467.573 5.289 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(Br)cc34)CCC2)cc1 1791582792 MPYYSRXBOSPJKG-UHFFFAOYSA-N 478.390 5.482 30 20 JKED Cc1nc(F)ccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792125319 VPKFEYLTSLYETM-QGZVFWFLSA-N 456.521 5.218 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(NC(C)=O)ccc3Cl)cc2)CCC1 1792192743 VQIVJOUEPNRCKQ-UHFFFAOYSA-N 475.923 5.258 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ccoc4c3)CCC2)cc1 1792240226 OFLBXUUTGOPSQH-UHFFFAOYSA-N 465.509 5.131 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)c1 1792240964 YGFVVZZIDLYJQT-HXUWFJFHSA-N 478.552 5.012 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1792300871 CNMUYWLNNDSSOD-JKIUYZKVSA-N 481.637 5.192 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1c(Cl)cc(Cl)cc1Cl 1792868139 MORYFUCAWKKVDW-MHORFTMASA-N 485.839 5.432 30 20 JKED O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1 1796897903 QLCYQKXOUWVKBU-GNMMWXFPSA-N 491.440 5.065 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C(C)C)cc1C(F)(F)F 1797019859 DEQLWHKYDKZUNQ-BCDXTJNWSA-N 453.549 5.332 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(-c2ccccc2)cn2ccccc12 1799191786 WECFNAINZUKOFD-ZFFYZDHPSA-N 467.613 5.627 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)C3)c1 1800766781 BWOCIXLGMJYGOJ-ZFWPHHPHSA-N 483.534 5.027 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@@H]1c1cccnc1 1802500079 WAHWVLIHBAYTBK-MHECFPHRSA-N 480.559 5.153 30 20 JKED C[C@H](Sc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1803424635 XCRRXWYHPMLKNR-UXJUZMSRSA-N 498.652 5.209 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)C1 1805334082 SDUVKAUQTBGMDP-GOTSBHOMSA-N 496.985 5.005 30 20 JKED N#CCCC(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1806860387 JDAJGTKFMNZIHQ-KHIORFRISA-N 479.024 5.019 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)CC1)c1ccccc1 1808474082 XFSGNEVMEGWATP-HSZRJFAPSA-N 497.561 5.142 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)s2)[C@@H]1c1cccnc1 1808795618 HQADSUALJZHMKB-IMSXRSKXSA-N 465.663 5.529 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@@H]1c1cccnc1 1809625102 KLKVSWPBEABCBX-WACPENEOSA-N 463.666 5.462 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ncsc23)[C@H]1c1cccnc1 1809964137 TYGIFWUOIAUMIH-SIKLNZKXSA-N 462.619 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1810499261 WVOBIDSVJPQMHA-HYBUGGRVSA-N 465.663 5.334 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@H](CNC(=O)c4ccc(CC#N)cc4)[C@H]3c3cccnc3)sc2c1 1811365586 XJUKQYQEMOIVNI-SHQCIBLASA-N 494.620 5.304 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1)C(F)(F)F 1812675342 OTFZYERBMUUONR-ILWGZMRPSA-N 493.957 5.299 30 20 JKED CCSc1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814355951 HNFLZYGLZRTFCV-HTAPYJJXSA-N 488.617 5.163 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(Br)c3CC)[nH]n2)C1 1814397837 WSZDMUVFCIFAQA-FQEVSTJZSA-N 471.399 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cnc3ccccc3c2)n[nH]1 1814728301 OQSFDONHPHNTMV-RDGATRHJSA-N 471.605 5.351 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c(O)n1 1816239767 VYYDIRNJIAKZBM-NRFANRHFSA-N 497.958 5.041 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Br)cc3s2)n[nH]1 1819076287 DSUFDMKEJKSTRD-INIZCTEOSA-N 473.396 5.269 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)n1 1819384466 NAABKDQMEBFEDQ-FQEVSTJZSA-N 485.730 5.347 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819387037 VPEGZXRJAJBLSG-HXUWFJFHSA-N 497.741 5.274 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncccc2C(F)(F)F)n[nH]1 1819898711 SZRVBDOYHURPSV-KRWDZBQOSA-N 463.504 5.122 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1)C(F)(F)F 1820435484 YFQSMDOJCHNQPV-CQSZACIVSA-N 461.271 5.141 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)[nH]n2)cc1 1820549705 ZRPSCAZJJINJJI-NRFANRHFSA-N 482.569 5.025 30 20 JKED Cc1cc(F)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)c1 1821064183 UYRHCXNFVIAQFM-HSZRJFAPSA-N 489.551 5.136 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C23CC(F)(C2)C3)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821151053 REMLVQAOWUIPFH-DBUALKDLSA-N 482.559 5.008 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821277402 ZDFKLMVWOQTEJX-OAQYLSRUSA-N 465.916 5.002 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cccs3)[nH]n2)cc(C(F)(F)F)c1 1821310117 KOMOTIRJXIYWOX-ROUKRRSUSA-N 499.518 5.381 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)[nH]n2)s1 1821690134 WMIZABJILWNYLP-NRFANRHFSA-N 490.633 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](C)Oc2ccccc2)n[nH]1 1821783730 DGBRXKNFIFCIRJ-SIKLNZKXSA-N 452.599 5.252 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1821987867 WAJFTGDXCLKXFE-LJQANCHMSA-N 473.911 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)[nH]n2)c1 1823216610 XSCCYBVASCDBTA-HOYKHHGWSA-N 485.563 5.214 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)n[nH]1 1823520254 UUKZMBUERIJKJP-QUCCMNQESA-N 489.661 5.088 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(OCC)c(Cl)c3)CC2)C1 1823701893 RTPUTCMMHMNUNG-JOCHJYFZSA-N 462.993 5.077 30 20 JKED Cc1cccc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)n1 1823726993 DRELDPIEWZPJOP-OXVFXORMSA-N 479.741 5.074 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)CC1)C(F)(F)F 1824000725 XMVVJPDVAOCKMK-QFIPXVFZSA-N 462.556 5.237 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1825097421 WYIWJVUCKGVBRW-RPLLCQBOSA-N 461.650 5.407 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2F)CC1 1827325438 SYNGMQVHRLXBQU-LJAQVGFWSA-N 495.598 5.168 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc4c3CCCO4)CC2)c1 1827388276 DWUSFYSMPHRWNW-UQBPGWFLSA-N 491.657 5.247 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1828400136 FUBYERRIRGAYEK-FSSWDIPSSA-N 464.984 5.275 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1828419797 RFGDLVADSXZLNZ-WIOPSUGQSA-N 475.555 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1828821984 AZWFWMXUQUEIJJ-TZIWHRDSSA-N 495.998 5.338 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)cc1 1828996634 MUOXQLISYUKTTN-QRGYCXFASA-N 498.627 5.002 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829571811 CYMHRDYWSBTZIL-JOCHJYFZSA-N 472.589 5.211 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c1 1829679651 WOJJGDQAUJVYSO-DEOSSOPVSA-N 491.657 5.054 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCCCCC(=O)OC(C)(C)C)CC2)C1 1830408125 XVXMARBONCBVCF-DEOSSOPVSA-N 474.686 5.255 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1830447801 QKNJVADFRZVGNN-NDEPHWFRSA-N 478.596 5.167 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c1 1830574507 FSVDLRQCZKFKNH-MHECFPHRSA-N 481.999 5.653 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(Cl)c1 1830720822 IJTRWRDMEJVXML-QHCPKHFHSA-N 488.390 5.551 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c(Cl)c1 1830721578 PYDZDOIRGBQXOR-HXUWFJFHSA-N 481.946 5.178 30 20 JKED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1831258579 COLUHAPKAIYVHX-SJUVIOCWSA-N 496.648 5.125 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1831370653 NWEMIMUHTVKYOK-VGOFRKELSA-N 486.454 5.376 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831448027 CUDLHYNPPRNUGS-HXUWFJFHSA-N 490.488 5.218 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1832034100 JABWDHXRXZDXRQ-MHZLTWQESA-N 488.628 5.053 30 20 JKED CCCc1onc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832630480 ITWZGXLFLSINAB-DVECYGJZSA-N 476.621 5.110 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ncccc34)CC2)c1 1832632474 RQVDDDOHGIWGNN-RBTNQOKQSA-N 480.612 5.409 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 1833193345 GTZQILWLNVOJBY-FQEVSTJZSA-N 474.089 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C1 1844696903 MUPPDBPQAQGILL-CQSZACIVSA-N 458.883 5.083 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1cccc(C)c1C 10167757 WKRZPDQSHUSJFH-UHFFFAOYSA-O 465.642 6.871 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 10170419 XBWDVPYTJAQNGZ-UHFFFAOYSA-O 451.615 6.233 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172514 LQWWODPSIBSXFH-UHFFFAOYSA-O 468.440 5.967 30 20 JKED Cc1oc(NC(=O)COC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c(C#N)c1C 10636890 GCNKZVHSNRIEJD-UHFFFAOYSA-N 459.477 5.170 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Cl)cc2Cl)c1 10837009 MLOAPSXEXPJTHH-UHFFFAOYSA-O 456.418 6.129 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)C(=O)Nc1ccccc1C#N 11022110 ZWRVQNZDOZRRJO-OAHLLOKOSA-N 477.952 5.718 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccccc2C(F)(F)F)cc1 11156876 IISTTXFRZVCRNN-UHFFFAOYSA-O 488.555 5.754 30 20 JKED CC[C@H](C)c1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)S2)cc1 15231628 ZLLKILIDYLHFNK-SCLBCKFNSA-N 463.575 5.763 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 21119284 HEKPYHOZSXTGEC-IBGZPJMESA-N 488.588 5.969 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nc2scc(-c3ccccc3)c2c1=O 28380669 REVCQIPOGQTYDZ-UHFFFAOYSA-N 463.584 5.050 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)Nc4cccc(OCCCC#N)c4)c(=O)c23)cc1 108293137 ZKTAEWSGWZRKCS-UHFFFAOYSA-N 472.570 5.145 30 20 JKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCC#Cc1cccc(C(F)(F)F)c1 409890984 ZZXGXEZXRHVMJD-UHFFFAOYSA-N 456.411 5.434 30 20 JKED CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)[C@H](C)c1ccc(C#N)cc1 480041871 NFRQDNQHJROBKQ-MRXNPFEDSA-N 455.389 5.820 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481738963 HNYKSGKZMPANCF-UHFFFAOYSA-N 483.547 5.763 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 487654030 HKKPWHROVBLGTD-UHFFFAOYSA-N 493.976 5.362 30 20 JKED CC(C)Cn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccccc1F 497355857 HNAUCKXQEKZAIR-UHFFFAOYSA-N 461.566 5.584 30 20 JKED Cc1nc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)sc1Cc1ccccc1Cl 498370336 CDXYDSKGZINEML-UHFFFAOYSA-N 474.007 5.026 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1c(C(=O)OC)oc2ccccc12 501588110 YKBSBWGWPNLNOP-UHFFFAOYSA-N 453.495 5.007 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccnc1SCc1c(C)noc1C 501765325 VUSDXANKELZFFC-UHFFFAOYSA-N 490.398 5.709 30 20 JKED CCOc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)cc1 502662183 UHKNMDRKOLPGBP-UHFFFAOYSA-N 484.556 5.632 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)[C@@H](C#N)c4nc5ccccc5[nH]4)sc3[nH]2)c1 503573932 UPXFKGBXALFGOW-MRXNPFEDSA-N 499.621 5.569 30 20 JKED C=CCn1c(SCc2nc(CCOC)no2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 504504528 ZXLTZFCBNADFIL-UHFFFAOYSA-N 498.612 5.519 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 508726558 JPMBVDPSEBZWJV-CQSZACIVSA-N 490.368 5.072 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 510003792 DRNLYQKZUZIPSL-ILBGXUMGSA-N 475.976 6.382 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 510008139 ZFNZDPYGXWQWGQ-VWNXMTODSA-N 473.939 5.779 30 20 JKED CCc1ccc(C(=O)N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510052964 BYJOYJLAHAJAKO-RUZDIDTESA-N 487.003 5.548 30 20 JKED COc1cccc([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 510252706 HXXZBVGVLGXXOD-IBGZPJMESA-N 451.577 5.080 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 511373542 PQLXIAYDWIJPCV-UHFFFAOYSA-N 455.533 6.182 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 511736999 JJCPOBIKGQBKEL-UHFFFAOYSA-N 460.437 5.022 30 20 JKED N#C[C@H](C(=O)c1ccc(CSc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513653900 HOAZBEQBWJPHRA-HXUWFJFHSA-N 471.607 6.058 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)cs1 513681854 KTSWWEDUIPVMEJ-GOSISDBHSA-N 492.651 5.823 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCOc2cccc(Br)c2)cc1 515649382 IPXPQBOMCCVTIK-UHFFFAOYSA-N 479.374 5.892 30 20 JKED N#Cc1c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)sc2c1-c1ccccc1CC2 515705667 NIPVHSQJCGDRLR-UHFFFAOYSA-N 459.958 6.265 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1 516322919 HSRJKSRTESELCM-CUNXSJBXSA-N 485.609 5.187 30 20 JKED COc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)c1 517448409 DLKGZIZKTSMKCD-CQSZACIVSA-N 471.633 5.273 30 20 JKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccccc1Br 517722385 XOSYBJCXINNWMN-INIZCTEOSA-N 450.336 5.339 30 20 JKED CCc1ccc(CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C2CC2)cc1 518159419 VIBFQQQQRQWSOI-UHFFFAOYSA-N 475.536 5.403 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccc([C@H](C)CC)cc1)c1cccs1 518580720 XNBFXLSEUMZZSN-MZNJEOGPSA-N 461.587 5.376 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nnn1-c1ccc2ncccc2c1 519515329 CMCCJSCNQSIQGZ-UHFFFAOYSA-N 474.524 5.021 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc3oc4ccccc4c3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 519944260 BTUHMEQMWQSNRE-UHFFFAOYSA-N 451.442 5.524 30 20 JKED C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1cccc(N2CCCC2)c1 520603515 LYXDEIVSIIVCLY-LJQANCHMSA-N 469.545 5.099 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 521302204 NYYOPNVLQWYDQQ-UHFFFAOYSA-N 479.924 5.599 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 521801095 XDRIYXHNCJUVNV-AWEZNQCLSA-N 486.519 5.724 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 523237904 WYRZAHXEJKBPCP-UHFFFAOYSA-N 461.521 5.615 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1)c1ccc(C#N)cc1 603720932 FQDBNUPIFWEWTH-CQSZACIVSA-N 453.926 5.318 30 20 JKED N#Cc1ccc(CSCC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 603735197 XHZOXLQPOOCWAQ-HSZRJFAPSA-N 480.515 5.592 30 20 JKED N#C[C@H](C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838669 FGJVUDALYYHQDW-CQSZACIVSA-N 457.298 5.996 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](CCCc3ccccc3)c3ccccc3)cn2)cc1 604134946 ZQMHHRKCRUVJGN-HHHXNRCGSA-N 490.563 5.564 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)CC1 604235986 DOBDZCMTWRDGKI-XUTLUUPISA-N 474.564 5.539 30 20 JKED CS(=O)(=O)Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)oc2ccccc12 608805559 NPEGPMBCCNORFO-UHFFFAOYSA-N 480.929 5.547 30 20 JKED Cc1csc(Sc2ccc(NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2Cl)n1 608995499 AWWVIZCLYCAPSD-UHFFFAOYSA-N 485.038 5.313 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nc(N4CCCC4)ncc3Cl)cc2Cl)c1 609062452 QQOFUSSOHJWZPS-UHFFFAOYSA-N 468.344 5.087 30 20 JKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc(OC)c1Br 609064612 AFVDPDIPPNEKJB-UHFFFAOYSA-N 467.319 5.169 30 20 JKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087059 QYZJEBGTCREKAX-HNNXBMFYSA-N 483.902 5.227 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)cc2F)c1 609104173 SWFAXJUGKZUTCK-UHFFFAOYSA-N 478.480 5.196 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1Cl 609164742 UWACKOFKQCNQQV-HSZRJFAPSA-N 465.380 6.336 30 20 JKED CC(C)(C)c1nc(CN2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cs1 609209658 HMTOTKJEFWYXNJ-UHFFFAOYSA-N 475.618 5.454 30 20 JKED N#Cc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c(F)c1 609229776 REMHFQQQGHMMOH-UHFFFAOYSA-N 464.953 5.157 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)n1 609256510 BUJOEVOGPDQGGU-MRVPVSSYSA-N 459.763 5.985 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 609382555 ICWWSEBBVPNPGQ-OAHLLOKOSA-N 457.602 5.053 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 609384692 HWFNQOTXVCUEGO-VQIMIIECSA-N 450.589 5.383 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 609401831 BBVOFALVLASURO-NZQKXSOJSA-N 479.646 5.919 30 20 JKED CCCCCn1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2c1=O 613319844 MQHUBZSMULTQCA-FQEVSTJZSA-N 476.989 5.854 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 614072760 FTBIGNARAKQMSO-XMMPIXPASA-N 476.646 5.300 30 20 JKED O=C(N[C@H](COc1ccccc1F)c1ccccc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618556410 PZEFZOQRCMCSNC-XYJFISCASA-N 478.408 5.718 30 20 JKED O=C(Cc1csc(Cc2ccc(F)cc2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620386208 NMWHJJOJXOLJSM-CHWSQXEVSA-N 454.411 5.005 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1 626589336 SGTGTFLWTOBNTA-UHFFFAOYSA-N 472.549 5.449 30 20 JKED O=C(CCCc1nc(-c2ccc(F)cc2)no1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642380291 KSYRNDROWSPXML-NHAGDIPZSA-N 467.385 5.224 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1-c1ccccc1OC 685864959 BKFKFBFACQUUEK-UHFFFAOYSA-N 464.616 5.776 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 726319582 LBCHPIAFZLDDOG-KRWDZBQOSA-N 474.904 5.130 30 20 JKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1-c1ccccc1Br 726320252 ULWCTAXYEHRKIC-LJQANCHMSA-N 472.342 5.569 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CCCC2)c1 726413479 YAPIUIZWANRTRY-NRFANRHFSA-N 496.430 5.333 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(OC(C)C)cc1 726415144 IKRZYMOZUIGMTH-IBGZPJMESA-N 490.423 5.217 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@H](C)c1cccs1 726418547 DVUVLLSRPNOJFA-LUOIHOMFSA-N 494.082 5.526 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)c1 726422086 SGCAZYZEHQTLLF-SUNUFWRDSA-N 494.642 5.303 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2ccccn2)C1=O 726423056 ZGOPGLKUFBIQOI-JBWIOHFISA-N 499.061 5.695 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)sc2C)[n+]2ccc(C(CC)CC)cc2)c1 726572939 QZEWIRYHRYQVFC-UHFFFAOYSA-O 461.676 6.861 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1Cl 726733306 VPWRFDAFEMHPHO-MRXNPFEDSA-N 459.354 6.000 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccccc2)cc1Cl 726961100 BDTGAHUEZTXTPE-UHFFFAOYSA-O 483.013 5.366 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccc(OCC#N)cc3)C2=O)cc1 727650837 VPVMYPQFMYRPRW-VWLOTQADSA-N 498.608 5.366 30 20 JKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 728668201 PGXZUVKJVFBULK-CQSZACIVSA-N 465.849 5.096 30 20 JKED C[C@@H](C#N)Oc1ccc(C=C(C(=O)N[C@H](C)c2ccccc2)C(=O)N[C@H](C)c2ccccc2)cc1 728694969 OJBZLPPQZHPCBD-BHDDXSALSA-N 467.569 5.116 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3scnc3C)C2=O)cc1 729144620 WBXABGWWTOATKH-FQEVSTJZSA-N 464.616 5.229 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c(C)c1 730713554 SXTDUJCCJOPDBK-XMMPIXPASA-N 484.581 5.605 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1CSCC(=O)Nc1ccccc1SC[C@H](C)C#N 731040300 QLSADYFKOXMDDK-MRXNPFEDSA-N 471.051 5.958 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 731114128 GMVODOBTQBZKKE-APWZRJJASA-N 458.425 5.940 30 20 JKED CC(C)(C)n1cc(C=Nn2c(S)nnc2[C@@H]2COc3ccccc3O2)c(-c2ccccc2Cl)n1 731151765 VFLWGYSADVDAKB-FQEVSTJZSA-N 495.008 5.233 30 20 JKED CCOc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccc(OC)cc2)cc1 731155925 BEDPEUXDTJCBJJ-UHFFFAOYSA-N 472.570 5.536 30 20 JKED N#C[C@H](NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)c1cccc(Cl)c1Cl 731195587 LVBLBPVTLJPJJF-ARKBFRDHSA-N 486.380 5.401 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731303896 DJFOAZWCPKNIFF-DEOSSOPVSA-N 491.613 5.322 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)cc1C 731311043 VIRAAUBZDWUEIY-MBSDFSHPSA-N 474.586 5.126 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cocn2)C1=O)Nc1cccc(O)c1 731311878 GBTDBOWBOBNFFJ-DEOSSOPVSA-N 498.564 5.208 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1 732766305 QGWMGVBCYXRITG-UHFFFAOYSA-N 490.585 5.111 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CNC2(c3ccc(Br)cc3)CCOCC2)c1=S 742540267 FIDIKGZBRULLCB-UHFFFAOYSA-N 499.478 5.591 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cs2)cc1 749318420 VBZCOYCPJBTKMX-CQSZACIVSA-N 481.599 5.203 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)C3=COCCO3)c2C#N)C(C)(C)C1 766870886 FYBGCIMDHDSZNP-PLNGDYQASA-N 496.610 5.138 30 20 JKED CC(C)c1ccc(CSc2nn(CN3CCN(c4ncccc4C#N)CC3)c(=S)s2)cc1 798229268 NFXDTAXPXKELOS-UHFFFAOYSA-N 482.704 5.136 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799211401 AAULHEVDDKMOMC-OAHLLOKOSA-N 494.297 5.655 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837775792 MQMLPXARCDPWQQ-GAJHUEQPSA-N 492.576 5.341 30 20 JKED CC(=NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1sc2nc(C)nc(C)c2c1C 863950954 XNTOPKHCNCPOQH-UHFFFAOYSA-N 468.417 5.288 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCC(C)C)c1 914555546 HVEDEVJUGVXOJY-JOCHJYFZSA-N 484.597 5.181 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N([C@@H](C)Cc2ccco2)C1=O 914690882 ILNZHJKXUPSUKQ-FDDCHVKYSA-N 477.586 5.188 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(C(=O)c3ccc(C)cc3C)CC2)c1=S 914784685 RTHIYIAVZVOKLA-UHFFFAOYSA-N 464.610 5.575 30 20 JKED Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086762 NCFRSWMSYBQOFM-MUUNZHRXSA-N 495.604 5.381 30 20 JKED N#C[C@@H](C(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)c1nc(-c2ccccc2)cs1 915101792 IXYFLAUXTXHOOC-HNNXBMFYSA-N 478.624 5.119 30 20 JKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102858 JKPJOHVQNAMJTB-SCLBCKFNSA-N 468.365 5.808 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 915351955 DMPLUSSRQLLMQR-MHZLTWQESA-N 464.569 5.431 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 915352303 GWAVFGZUXPBNEL-DEOSSOPVSA-N 450.498 5.509 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c2ccccc21 915434609 IESHSOISTZXARN-UHFFFAOYSA-N 457.530 5.113 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccccc2)c1 916206795 VUHHVOXIYXCKEJ-DEOSSOPVSA-N 487.581 5.058 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1C 916207769 KYEQUDVHWUQYKP-LJQANCHMSA-N 461.509 5.469 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NN(Cc2ccccc2)c2ccccc2)cs1 916249676 FTWDBKXKGUIMGL-UHFFFAOYSA-N 494.542 6.887 30 20 JKED CC(=O)N(c1nc(C=Nn2c(S)nnc2-c2ccccc2Cl)cs1)c1ccc(F)cc1F 916276602 CTYKEXWGBXFSKA-UHFFFAOYSA-N 490.948 5.189 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccnc2OC(C)C)c1 916394880 AYNPMOZCKIAYJJ-UHFFFAOYSA-N 485.993 5.156 30 20 JKED COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)ccc2c1 916887686 PVNSYQSRCQIPRQ-TWWUCYKXSA-N 452.482 5.524 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C2SCCCS2)cc1 916901872 RHTKDAQLTSSRRU-INIZCTEOSA-N 461.008 5.487 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 916937266 BQSRQWFUBOBVAB-LJQANCHMSA-N 499.350 5.551 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1 917677400 DRSZEVVCIMINDS-LJQANCHMSA-N 457.527 5.187 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2C#N)s1 917702333 GHYAYQRYAVYBDW-OAQYLSRUSA-N 496.564 5.367 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)cc1F 917704442 VJEWRHGLXGNZSD-HSZRJFAPSA-N 490.535 5.305 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 918248357 ZQCOWICRRBBBIO-KSFYIVLOSA-N 451.448 5.177 30 20 JKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 919652684 DXBKIJAEXFNWON-UHFFFAOYSA-N 467.529 5.639 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2c(C)noc2C)cc1 920357127 UCWNPQONGQXDRK-QHCPKHFHSA-N 492.601 5.023 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCc2ccc(C#N)cc2F)c(OC)c1 920669500 VCHROSWWOKPOAH-UHFFFAOYSA-N 458.489 5.539 30 20 JKED COc1ccc(N=Cc2cc(Cl)ccc2O)cc1S(=O)(=O)Nc1ccccc1Cl 920943211 SOEVHCKZNNIMMG-UHFFFAOYSA-N 451.331 5.259 30 20 JKED O=C1/C(=C\c2ccc(O)c(Cl)c2)CC2(C/C1=C/c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc12 921270013 QUSYPXCSPDSEKX-XFQWXJFMSA-N 492.358 6.125 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cc1 1785796409 CVNZBMQNCUAGJE-FYWRMAATSA-N 483.593 5.126 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC(F)(F)C4)cc3)CCC2)c1 1785803714 WRNCPQRCMNZGPV-FXAWDEMLSA-N 451.517 5.497 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CCC1 1786028908 GNDLHJVNIVNQMY-LOSJGSFVSA-N 483.543 5.014 30 20 JKED Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)S)CCC2)cc1 1786308979 YCSOFEUQBGRBTC-PGRDOPGGSA-N 497.661 5.013 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3cccc4ncccc34)cc2)CCC1)C(F)(F)F 1786345895 ZACYGXHXSRTVFF-UHFFFAOYSA-N 453.464 5.030 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4)CCC3)cc2)c(C(F)(F)F)n1 1788356268 BFDFHXXQVVUXGS-UHFFFAOYSA-N 499.880 5.082 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)n4C)cc3)CCC2)c1 1788847648 KQNOQVUCOUWTDC-QGZVFWFLSA-N 494.517 5.732 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCCC4(F)F)cc3)CCC2)cc1 1789163030 APJINWQOXQZQAH-XMMPIXPASA-N 455.480 5.224 30 20 JKED C[Si](C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)co1 1789505337 IRWHWHSJMRCLHB-VAWYXSNFSA-N 492.673 5.073 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CCC2)cc1 1789626493 RTKTXWIYMADENW-SFHVURJKSA-N 475.589 5.146 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5o4)CCC3)cc2)c1Cl 1790083074 ZSLJHDVSZIRCAU-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H](NC(C)=O)c3cccc(Cl)c3)cc2)CCC1 1790367352 JYEINWBYOFFRLW-RUZDIDTESA-N 494.035 5.420 30 20 JKED Cc1noc(C)c1CCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790764312 UPSCNVMWFBUQBK-UHFFFAOYSA-N 476.964 5.197 30 20 JKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c1O 1790768342 FQLQBKFIDQTTGK-BUHFOSPRSA-N 490.581 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ncccc5[nH]4)cc3)CCC2)c1 1790842603 AVCOEGBBGMOSEO-GOSISDBHSA-N 463.541 5.251 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5cccc(OC)c45)cc3)CCC2)c1 1790918136 FTXCBGKJSIFOFB-UHFFFAOYSA-N 494.551 5.118 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791730099 HQNZKVQPGPERNE-MHZLTWQESA-N 499.627 5.053 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)CCCn3ccnc3C)cc2)CCC1)c1ccccc1 1791828181 XCUUBJCOJGDOSE-MHZLTWQESA-N 482.628 5.303 30 20 JKED C/C(=C\c1cccnc1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792127179 SFMBFIMMWIHGKH-UZLGTAQGSA-N 464.569 5.560 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)cc1C(F)(F)F 1793952574 OHKBEPLONSJTEB-REPLKXPHSA-N 454.508 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1 1797988418 LHTUAWMQEYAMAK-REPLKXPHSA-N 461.528 5.431 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(F)c3s1)C2)c1ccc(O)cc1 1802423982 GXRBAHZIUJESMT-PSWRPDDJSA-N 490.600 5.195 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1802499013 FJBUWIUOONCCMB-DVECYGJZSA-N 479.024 5.528 30 20 JKED Cc1ccc(CSCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)cc1 1803683771 HSCRXHPVMKKJTH-YEHREXKJSA-N 475.658 5.197 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)C4(c5cccc(Br)c5)CCCC4)CC3)C2)C1 1804785649 LCBVNNHLANNROP-UHFFFAOYSA-N 499.493 5.458 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C(C)=C/c3ccc(OC)cc3)CC2)C1 1804866564 HPQSEXDZNDIWAK-LSDHQDQOSA-N 452.639 5.322 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCC2(CCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)CC1 1805333444 OQMXTNWOAHKTFD-UHFFFAOYSA-N 492.925 5.157 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)c1 1807474825 AOEZPJFMDIMHAX-PQHLKRTFSA-N 494.639 5.248 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809209707 LMZZTLZJNJFLNL-JTSKRJEESA-N 486.062 5.189 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(C)cccc3[nH]2)[C@H]1c1cccnc1 1809805149 NPUSMDYJYMVQPZ-PXDATVDWSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1810178039 LPSIUKSDHJPHDN-MZKRTTBSSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(C)cccc3[nH]2)[C@H]1c1cccnc1 1810499574 ZNDWQWVUKNHEBE-OFVILXPXSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810502726 LBDWYGJXAYVREU-VGSWGCGISA-N 475.967 5.325 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[C@H]1c1cccnc1 1811263584 HSOOJDDHOPBWIK-XAJLNHFYSA-N 493.611 5.157 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3c(F)cc(Cl)cc3Cl)[C@H]2c2cccnc2)cc1 1811458995 FZTYCZAJXAORCZ-FDDCHVKYSA-N 497.357 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cc(OC)cc2C)[C@H]1c1cccnc1 1811646478 XPUSXGRKALBOBB-RCZVLFRGSA-N 463.622 5.019 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1811695918 VJMNXNVPWYPCHC-PWUYWRBVSA-N 497.664 5.497 30 20 JKED C#CC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1812534909 RAERRDYEHVAERZ-LITSAYRRSA-N 459.634 5.084 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1812667414 GZQPTLNKVCVMJF-OXJNMPFZSA-N 489.975 5.481 30 20 JKED O=C(C#Cc1ccccc1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1816957561 DRPFVBUMQFTEHN-JOCHJYFZSA-N 472.932 5.167 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)n[nH]1 1818817114 ZYGSDKSSAMNFNW-OULNLLIASA-N 487.604 5.374 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(F)CCCCC2(F)F)n[nH]1 1818889476 LVIDPXDDUJMTRN-WMZHIEFXSA-N 496.650 5.371 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)[nH]n1)c1ccccc1 1819519647 WWXRUNADVFCAGH-QUCCMNQESA-N 464.953 5.159 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821242982 SEKMRZSHDCLWJL-LJQANCHMSA-N 498.406 5.034 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1821924644 FZAYIEXFCFNOTP-ACJLOTCBSA-N 479.806 5.344 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(Br)cc2F)[nH]n1 1821926584 SMAMHSVNPIKUGS-FOIQADDNSA-N 491.405 5.148 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1821928781 PBHXKODGQXWTMM-FZKQIMNGSA-N 452.452 5.086 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1)C(F)(F)F 1821992554 ZZWSXNUDFSVOIT-OAHLLOKOSA-N 466.460 5.188 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)c1 1823216249 RMEXNRXPSLGUQU-VBKZILBWSA-N 497.933 5.588 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1823752019 HZORQAOAQNLOJB-HSZRJFAPSA-N 467.679 5.830 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1823752727 XHDXZNXNZQMUFE-JOCHJYFZSA-N 453.652 5.522 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1823980137 LLPZGPQKLZUMFF-SANMLTNESA-N 479.571 5.011 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1825219344 QBDHZULKEVEWAS-ZEQRLZLVSA-N 491.598 5.421 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc4c3CCCO4)CC2)c1 1827388272 DWUSFYSMPHRWNW-DFBJGRDBSA-N 491.657 5.247 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1)c1cccs1 1827683245 YJRJHEKRFKMZPG-ZJVMWOEPSA-N 476.598 5.167 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nccnc3c2)CC1)c1ccccc1 1828279018 PILKWAXBRVZIBX-LITSAYRRSA-N 494.639 5.060 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ncoc4c3)CC2)c1 1828302774 YLAXFTWNDTZNDA-KBMIEXCESA-N 470.573 5.002 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1828349988 VJCKEZKEWHZNKP-OFNKIYASSA-N 454.014 5.191 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1828714006 RGKDKCYDIYJLFH-NRFANRHFSA-N 486.538 5.037 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828908723 UHYTXDYVJBZXSG-YIXXDRMTSA-N 491.752 5.598 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3c(Cl)cccn23)CC1 1829067110 CFGFRRCUFZOFCA-OAQYLSRUSA-N 471.045 5.213 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2c(C)cccc2C)CC1)C(F)(F)F 1829099130 BQZRAGPOCBMSLO-FQEVSTJZSA-N 468.585 5.134 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(=O)OCC)c2F)CC1 1829644488 IJELEFQQGCWIML-URXFXBBRSA-N 484.612 5.004 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c1 1830573087 OQBBMEPEKYRHKA-JOCHJYFZSA-N 471.935 5.037 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)cc1 1830628813 WUOCKINAALUYLI-QHCPKHFHSA-N 499.533 5.198 30 20 JKED COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)ccc1C 1830722715 ONNDHNXILDXWIT-DEOSSOPVSA-N 480.008 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(=O)OCC)cc2)CC1 1830760060 YACCVDGUYKKXCS-XMMPIXPASA-N 468.638 5.089 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1)C(F)(F)F 1831453811 LPPXWMIJJZSNAZ-SFHVURJKSA-N 471.589 5.228 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831749429 VECXMIBOOHKGGO-QFIPXVFZSA-N 495.516 5.564 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1831851729 UISUXGRPLXNINQ-HHHXNRCGSA-N 460.593 5.530 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1831858160 GPZKROMMZCGURQ-KRWDZBQOSA-N 460.899 5.307 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccsc2)CC1)c1ccc(O)cc1 1831921696 XTTHBWBMGTURDW-AHKZPQOWSA-N 492.685 5.203 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)c1 1832632167 LPJQZGGBFPKRML-UTKZUKDTSA-N 453.970 5.107 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3F)CC2)c1 1832633302 GKKJSWQEUWQMRN-KOSHJBKYSA-N 465.544 5.139 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC(OC4CCN(C(=O)c5cccc([C@@H](C)C#N)c5)CC4)CC3)cc2c1 1838217823 SMVADYFWMUNJLJ-NRFANRHFSA-N 498.627 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)CC1 1838375813 RRXSWVDBHXMJBN-OAQYLSRUSA-N 496.545 5.225 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)C3(C(C)C)CCC3)CC2)CC1)c1ccccc1 1838417547 FCZYSMSZUDQFMJ-MHZLTWQESA-N 478.677 5.009 30 20 JKED CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(-c2ccc(O)cc2)cc1 1857777440 WVKLCXDKHAOSGV-UHFFFAOYSA-N 481.499 5.866 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nnc1-c1ccc(Cl)cc1Cl 9825641 APBJLWIVIBLSMJ-UHFFFAOYSA-N 477.421 5.480 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(OC(F)F)cc1 10172838 LOHYKBRXAQRWBQ-UHFFFAOYSA-O 455.550 5.806 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2scc(-c3cccs3)c2c1=O 11382747 IZUWGRDGMAPKFC-UHFFFAOYSA-N 475.567 5.382 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc(Br)c2)cc1 15247555 UPKMLMWZYHCOHW-UHFFFAOYSA-O 489.846 5.507 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(C)c2)cc1 15247750 CEODSNMIBPNXPV-UHFFFAOYSA-O 454.413 5.658 30 20 JKED N#CCc1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 15499110 NGHLREFLTKDHIT-NRFANRHFSA-N 465.307 5.215 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nc2sc(-c3ccccc3)cc2c1=O 18330932 VXBGIBNFROWGBH-UHFFFAOYSA-N 488.594 5.662 30 20 JKED N#CCn1c(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)nc2ccccc2c1=O 21237375 MBWIPSFDLOPSDF-UHFFFAOYSA-N 450.523 5.534 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 21474458 ZFABNPWMFMFLRD-UHFFFAOYSA-N 457.534 5.057 30 20 JKED Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccccc1 21604331 IVNOHINIHKSYMH-HNNXBMFYSA-N 463.950 5.480 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1Cc1ccccc1 21643435 UXKCHSCGJLSFJQ-GOSISDBHSA-N 480.684 5.812 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)N(CCC#N)c3cc(C)cc(C)c3)n2Cc2ccco2)c1 22045740 DBBOPTACNVETRG-UHFFFAOYSA-N 485.613 5.551 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccc(Cl)cc1 27639596 FSDPQYJDEACZPZ-UHFFFAOYSA-N 466.966 5.830 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1ccco1 29550412 ZEIFDRKPFVFOEQ-QGZVFWFLSA-N 462.600 5.995 30 20 JKED N#Cc1cccc(NC(=O)CCSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)c1 31686262 IETFXCDWPDMWJO-UHFFFAOYSA-N 495.395 5.629 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)c2)c1 31776621 JGFZTZLRIWQZIG-UHFFFAOYSA-N 489.984 6.007 30 20 JKED Cc1nc2c3ccccc3nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)n2n1 58492329 CWOAXBIIUUWEDP-UHFFFAOYSA-N 473.606 5.112 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 303185248 LLZWUOGUBMSGJY-UHFFFAOYSA-N 496.398 5.502 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cccnc3Oc3cccc(Br)c3)CC2)c1 303270528 RAVLBXHQGUKPMT-UHFFFAOYSA-N 478.346 5.192 30 20 JKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 476482381 DOQHYYLOCYDIAS-DEOSSOPVSA-N 455.558 5.579 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)cc2F)c1 481601202 WOEVIUMFLWGMDC-UHFFFAOYSA-N 476.527 5.202 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)sc2c1CCCCCC2 483436318 IECMFXCSHWIMAS-UHFFFAOYSA-N 469.661 5.664 30 20 JKED C=CCN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)Cc1cc(Br)ccc1F 502199778 YYFRAVHVHDQPGZ-UHFFFAOYSA-N 479.350 5.019 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 502680156 OAPBDBXYMWQDFK-UHFFFAOYSA-N 482.353 6.061 30 20 JKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 509278758 ITRIABZYIWFVIC-FQEVSTJZSA-N 453.542 5.404 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 509671889 HALJRFXPGBSGAS-OAQYLSRUSA-N 477.467 5.195 30 20 JKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C 509899803 PQYVYNIRBHAOKG-UHFFFAOYSA-N 456.546 5.051 30 20 JKED Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 510222470 KTSJRPZHDVTYQZ-UHFFFAOYSA-N 485.038 5.018 30 20 JKED C=CCN(C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)[C@H]1CCS(=O)(=O)C1 512086723 FRBNVFFTTQKOAC-SFHVURJKSA-N 470.443 5.101 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccccc2)cs1 515543142 OCXROERDNSWIQK-NRFANRHFSA-N 455.539 5.229 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccnc2SCc2ccc(Br)cc2)cc1 515803332 YCFZFAWCNMMXJM-UHFFFAOYSA-N 466.404 6.190 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccccc4F)c4c3CCC4)n2)cc1 516269862 AYOBGOUZZZHPQJ-GOSISDBHSA-N 458.518 5.122 30 20 JKED C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2CC)nnc1-c1ccc(Br)cc1 516833765 OAADZGLDLCEOSC-UHFFFAOYSA-N 487.423 5.270 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 517473837 VKUCLPRGTSTJQD-GOSISDBHSA-N 495.649 5.551 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(C(=O)Nc2ccccc2)c1 518133106 ARSTUYNYKBEZGG-LJQANCHMSA-N 475.639 6.205 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 518807088 BMSYANVAIXKSIP-UHFFFAOYSA-N 487.968 6.602 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cccs2)cc1 519440608 ODGVFQVQFQOJFC-KOSHJBKYSA-N 477.655 5.968 30 20 JKED Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)sc2nc3n(c(=O)c12)CCCCC3 519515631 OREXQFYCMFZPIV-AWEZNQCLSA-N 452.605 5.139 30 20 JKED COc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c([N+](=O)[O-])cc1OCc1cscn1 520837542 ZJJAWITVVYMGLP-CQSZACIVSA-N 484.559 5.143 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCCc2c[nH]c3ccccc23)c1 521661337 SPQBKETXZXBKPN-UHFFFAOYSA-N 468.582 5.133 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 521769657 SHRGFFFABVFJHP-OAQYLSRUSA-N 456.571 5.807 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 523956178 CFJPNXKHUDNESO-UHFFFAOYSA-N 466.519 5.265 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2CC(C)C)cc1 597297741 WLEURMOOEDJPGD-CSKUQDPHSA-N 469.655 5.021 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 603738906 ZSMGTSSLVWYPGW-HSZRJFAPSA-N 490.563 5.698 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 603749997 QHODOYZDAVJPJC-UHFFFAOYSA-N 482.491 5.079 30 20 JKED N#C[C@H](C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838681 FTZRYGMHJFEYQR-CQSZACIVSA-N 458.282 6.261 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 603968561 BGVVRKCLTXKKMF-UHFFFAOYSA-N 469.364 5.200 30 20 JKED C=CCCO[C@H](C)C(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1Cl 604463971 FVRDWFYAPYOZDR-CYBMUJFWSA-N 498.748 5.117 30 20 JKED CCN(CC)Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)o1 604505533 FKPWASMJDIKJNP-UHFFFAOYSA-N 462.497 5.311 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 608876652 QWVQELRAENBYKL-GOSISDBHSA-N 481.339 5.352 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncccc1OCCCC#N 608882461 OJIDOIXZFZXZMZ-OAHLLOKOSA-N 456.955 5.333 30 20 JKED CC[C@@H](c1ccccc1)c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 609018715 NEXHFKFHXZUQML-INIZCTEOSA-N 452.605 5.544 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N(Cc3ccccc3)Cc3ccco3)cc2Cl)c1 609086661 QUHXHTATXZWBMJ-UHFFFAOYSA-N 499.954 5.551 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCC(Oc5cccc(C#N)c5)CC4)cc3)o2)c1 609184802 HJMWHDUPGNXRPQ-UHFFFAOYSA-N 464.525 5.267 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1nccs1 609404569 HIWHVTAPQQUCDT-SFHVURJKSA-N 490.532 5.012 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 613320208 WYUKWGARLKAJJI-CQSZACIVSA-N 490.869 6.297 30 20 JKED C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619385908 SLBABEWRXTYIBH-NDBYEHHHSA-N 480.371 5.681 30 20 JKED COc1ccc(-c2nnc(Sc3ccc(C#N)cc3[N+](=O)[O-])n2C2CCCCC2)cc1OC 619672824 KDGFXHWQIOYQFE-UHFFFAOYSA-N 465.535 5.399 30 20 JKED C=CCn1c(Sc2ncnc3scc(-c4ccc(OC)cc4)c23)nnc1-c1ccccc1OC 669636947 BPWCZBQVZAHXHX-UHFFFAOYSA-N 487.610 5.971 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2ccccc2)C1=O 726422071 RZURAYVUQHXLFD-JCPNLMEESA-N 479.627 5.347 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C\c3csc(N(C(C)=O)c4ccc(OC)cc4)n3)SC2=S)c1 726626685 JOARUJPRCKRLQF-FYJGNVAPSA-N 491.619 5.223 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727628710 WRQOIRHFYJFPQI-UWJYYQICSA-N 460.603 5.374 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1F 728779584 KBEYYTIUSFNUDL-IBGZPJMESA-N 476.936 5.272 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 729634498 MZKUAPVZJKTDNB-OAQYLSRUSA-N 482.968 5.343 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730686755 IWWRQSGYNOIHJO-SFHVURJKSA-N 492.413 5.509 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 730993558 BAPSLLASNXSVFO-IRXDYDNUSA-N 492.066 5.265 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 731059836 BPKWQFAXIJGARF-VIFPVBQESA-N 493.199 5.742 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1ccc(Cl)cc1Cl 731071806 VUBAOUGSKKCETI-CQSZACIVSA-N 451.375 5.502 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2cccs2)cc1 731126607 WLQBNZSUFMBJBW-DEOSSOPVSA-N 477.655 5.797 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)cc1 731305335 JRZIDZUMDKXVQQ-NRFANRHFSA-N 495.626 5.321 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(C)ccc1F 743524664 LUXOKXAZNIANHI-FQEVSTJZSA-N 477.989 5.093 30 20 JKED O=C(Nc1ccc(C/N=C/c2cc(Br)cc(Br)c2O)cc1)c1ccncc1 749105859 ZBCUMNKIWITUCB-WYMPLXKRSA-N 489.167 5.184 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNc1nc(-c2ccncc2)no1 750948286 KTYYYVZGUHROFA-UHFFFAOYSA-N 462.728 5.091 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cc(C)ccc1C 799215199 RJUJRGSEKZODDR-GOSISDBHSA-N 460.397 5.046 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C2CCN(C3CC3)CC2)C1=O 837519941 CUXVJOWNNVDHMW-QHCPKHFHSA-N 497.064 5.236 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 837533817 WMCQDXJBKLTPRU-IIBYNOLFSA-N 498.530 5.822 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)CCc1ccco1 838486638 QKFSZUHLQWCTQN-SBUREZEXSA-N 495.576 5.409 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 915088682 UVLBMGCEKXDRCH-IZLXSDGUSA-N 459.549 5.842 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 915483568 JJMYMJVUAIWNEB-UHFFFAOYSA-N 453.734 5.723 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2[nH]c3ccccc3c2Br)c1 915510744 VUYXMWMZNJAACM-MRXNPFEDSA-N 468.351 5.039 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCc2ccccn2)C1=O 916204816 DGOOVRRKDVSSCF-QFIPXVFZSA-N 496.995 5.386 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(OC)c2)c1 916206557 SKLKXWRKMNSZPP-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC(F)F)cc1 916212428 VTOKLKQOEOAJOU-SFHVURJKSA-N 465.497 5.043 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cn(CCC#N)nc1-c1ccccc1 916311024 WSIYNMNIWFSYTI-UHFFFAOYSA-N 464.554 5.093 30 20 JKED COc1cc(/C=C\C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1OCc1c(C)noc1C 916845959 AHQCULHGYGSFBE-IZTUGPKFSA-N 459.527 5.378 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(F)cc(Br)c1 916908900 OGCKGPDXHKMERV-SFHVURJKSA-N 453.267 5.342 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1 916910846 CMSWKYXVUMRHLC-HSZRJFAPSA-N 465.557 5.511 30 20 JKED N#C[C@@H](C(=O)CCSc1ccccc1Br)C(=O)Nc1ccc(F)c(Cl)c1 916938776 NOGIOMTYBCAHBZ-LBPRGKRZSA-N 455.736 5.071 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3ccccc3)cc2)cc1Cl 916941211 QMJIYHOVVXAHBS-HXUWFJFHSA-N 450.947 5.602 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944278 AQCVDTHFMUDANQ-HXUWFJFHSA-N 480.355 5.086 30 20 JKED C=CCn1c(SC[C@H](O)c2c(F)cccc2F)nc2scc(-c3cccs3)c2c1=O 916976047 LYVGDVAPDTZCCV-HNNXBMFYSA-N 462.568 5.476 30 20 JKED N#C[C@@H](C(=O)Cc1cc(F)cc2c1OCOC2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996662 NKISFNDYILMLEM-INIZCTEOSA-N 463.317 5.541 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 917042237 DVFBBAVTNTXNDR-XMSQKQJNSA-N 496.311 6.190 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1OCc1ccc(Cl)cc1 917507141 PGHWREOXIMGPQA-HXUWFJFHSA-N 478.932 5.246 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cccc(C)n3)C2=O)cc1 917687962 YHBNWFZLGCLWQL-QHCPKHFHSA-N 476.577 5.306 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N([C@H](C)c2cc(C)sc2C)C1=O 917701339 OZGINFPSGFMKPU-QVKFZJNVSA-N 451.617 5.347 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3oc(CC)nc3c2)c1 918331790 CLFYJWSGMBIHOO-UHFFFAOYSA-N 495.988 5.677 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 918711184 ROHJWAAMOUAOEJ-UHFFFAOYSA-N 479.484 5.309 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1=S 918736382 URPGDEZAZSNXAM-KBPBESRZSA-N 468.442 5.426 30 20 JKED COc1cc(-c2ccccc2)sc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 919459366 DIFDVGOXLHNLLS-CYBMUJFWSA-N 452.557 5.030 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2cnc(C)s2)ccc1Cl 919879079 FRQZBCMPCRNYRZ-UHFFFAOYSA-N 496.441 5.070 30 20 JKED CC(C)CN(CCC#N)Cn1nc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)c1=S 919944327 CTWKDVTXZCMFLP-UHFFFAOYSA-N 461.422 5.601 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)c3ccc(Br)cc3)n2)cc1 920139516 UCOQHYCMXNOZOD-GOSISDBHSA-N 455.377 5.735 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2C)SC1=Nc1ccc(Cl)c(Cl)c1 920171803 YTFPRHSLPLTWAM-GOSISDBHSA-N 492.384 5.146 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](C)c1cc2ccccc2o1 920200010 BZZZSUGAYGHXKI-DVECYGJZSA-N 451.526 5.636 30 20 JKED COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)ccc1OCC#N 920407641 NNQJHLPWPCQQJN-JOCHJYFZSA-N 453.420 5.387 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnc1-c1cccs1 920805665 FESUSFJPILOCCW-GFCCVEGCSA-N 487.582 5.397 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807168 ZDMJAOJUUIURHM-OAHLLOKOSA-N 486.906 5.924 30 20 JKED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCCCCc2ccccc2)C1 1783226843 UPNHXIXYNKKMMN-POURPWNDSA-N 495.708 5.558 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CCCc4ccncc4)CCC3)cc2)cc1 1785795842 DRUFJDSKOPOSKD-UHFFFAOYSA-N 466.585 5.043 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCCOc4ccc(Cl)cc4)CCC3)cc2)C1 1785805025 WOUGJSNWUMSLEW-UHFFFAOYSA-N 452.982 5.599 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1 1786290695 TZKYBBBAPRFSBW-GOSISDBHSA-N 495.608 5.363 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(F)c3)cc2)CCC1 1788373977 JZNPPXXAQINTRV-UHFFFAOYSA-N 487.575 5.618 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(C)ccc4c3)CCC2)cc1 1790568048 MGKHJNFYMYZYTP-IBGZPJMESA-N 458.562 5.092 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3[N+](=O)[O-])cc2)CCC1 1790571258 MBJZPGYMJRGTHI-HSZRJFAPSA-N 477.561 5.048 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)s1 1790785321 FXVSUIPSNXGIDL-UHFFFAOYSA-N 498.530 5.712 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ncc[nH]5)cc4)CCC3)cc2)c1 1790795382 CXAVIALTZQWNNF-UHFFFAOYSA-N 475.552 5.318 30 20 JKED Cc1ccc2[nH]c(C(=O)NC3(c4ccc(NC(=O)c5n[nH]c6ccc(C#N)cc56)cc4)CCC3)cc2c1 1790835224 XQHUKYIKMMOOFO-UHFFFAOYSA-N 488.551 5.286 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3Br)CCC2)cc1 1791582084 UYYKATUZDBODRG-UHFFFAOYSA-N 471.370 5.068 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)cnc4s3)CCC2)cc1 1791589312 WCNJPHZBONUJEA-UHFFFAOYSA-N 470.392 5.383 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(OC)nc(C(F)(F)F)c3)CCC2)cc1 1791730758 VFDKVBXTEOJPBO-UHFFFAOYSA-N 473.495 5.050 30 20 JKED C[C@@H](Cc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791767159 PESICVCICQAOOJ-LEWJYISDSA-N 466.585 5.335 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COCc4ccccc4)CCC3)cc2)c1 1792122941 VMPUKWMSWPMQOI-OAQYLSRUSA-N 467.569 5.278 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C)C3)C1 1792502926 TWLGGNNTKUQKDT-KIHHCIJBSA-N 489.701 5.235 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C2 1793048881 AAJFCBHAELMFLT-NUNAXRQHSA-N 497.561 5.788 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1)c1ccccc1Oc1cccc2ccccc12 1793470809 YOUIJUROLWTGTC-BKFWDETESA-N 464.565 5.297 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1)c1cc(F)cc(C(F)(F)F)c1 1799645936 AQQSEKJWSGYPKY-REPLKXPHSA-N 488.403 5.429 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1ccc(Br)cc1 1800025602 KQDOULYPYJWQIB-WKCHPHFGSA-N 491.470 5.239 30 20 JKED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sc4ccccc4c2Cl)C3)ccc1F 1800133811 WVQKOEFKCZSFFI-BCDXTJNWSA-N 481.980 5.060 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2csc4c2CCCC4)C3)cc(C(F)(F)F)c1 1800741012 PQYMGIHXCOTQSV-REPLKXPHSA-N 487.547 5.083 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)[C@@H]2c2cccnc2)C1 1802417650 NQFWHEPDNAHLQE-WNCULLNHSA-N 469.560 5.174 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1802495396 COUWCBMLTOHGJD-QDPGVEIFSA-N 498.671 5.613 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1802729827 KMFFPBHEHDLFAZ-GGAORHGYSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1803088126 HMEJIYZYCYSJCP-KWCMDZRBSA-N 475.658 5.470 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccccc3)CC2)C1 1804858858 QCYUSYCTKSUQMP-UHFFFAOYSA-N 459.634 5.586 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)C2)CC1 1805610288 IBDKAYNBTKTSRQ-VXKWHMMOSA-N 456.577 5.068 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)s3)C2)CC1)c1ccc(O)cc1 1806797679 LVRXPRMJWSOLKR-OAQYLSRUSA-N 499.076 5.078 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4c[nH]c(-c5ccc(F)cc5)c4)C3)CC2)c1 1807699997 WOJOJAYUNAFPTQ-UHFFFAOYSA-N 484.575 5.160 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808160901 YLATXTJAMCXFNG-VGOFRKELSA-N 486.950 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(O)c3cc2OC)[C@H]1c1cccnc1 1812193837 VYFSMFILHIEDQP-MVOZIGHISA-N 499.611 5.037 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1)C(F)(F)F 1813220689 DUIIRJJFDYSMKQ-LADGPHEKSA-N 499.577 5.416 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)Oc3ccc4ccccc4c3)[nH]n2)C1 1814396698 LUTWFOXZYKLBNT-XMMPIXPASA-N 472.589 5.379 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)[nH]n1 1814444122 UJZYRMIOSSUHFR-KHMOSXFSSA-N 491.680 5.524 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)[nH]n1 1814829785 WIVQULZPIFGMSD-QFBILLFUSA-N 458.653 5.413 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)n[nH]2)C1 1818970389 PSJLDDRURXWFOM-JOCHJYFZSA-N 463.969 5.192 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)[nH]n1 1819302565 IFZZERYRNZAYDI-YLJYHZDGSA-N 474.577 5.241 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)[nH]n1 1819555109 ZXXAFXGRZNKRRI-HXUWFJFHSA-N 464.566 5.463 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)[nH]n1 1819555600 OPAFYQCYLUUUKI-QGZVFWFLSA-N 464.397 5.410 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1 1820716471 YWPZBNUEJHSSOR-QHCPKHFHSA-N 485.588 5.106 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c(Cl)c1 1820906359 FEMBLYGQARQCDF-YUAYGMJFSA-N 465.985 5.377 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)cc3F)n[nH]2)c1 1821329076 ZWZUGSTWFLEDLG-XMMPIXPASA-N 489.551 5.136 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2O)n[nH]1 1821501773 ACBFUMFCEQMJNB-NRFANRHFSA-N 492.652 5.219 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821609707 HMAWQGDSMNIAFU-VGOFRKELSA-N 472.545 5.206 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)c1 1823218171 PLRYXVVGJOLYJI-ZHRRBRCNSA-N 495.505 5.675 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823310440 VAUQPWBZNWSOST-INIZCTEOSA-N 487.840 5.595 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)n[nH]1 1823516572 KMDQNIWDUQIIQG-UYAOXDASSA-N 489.661 5.088 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1)c1ccc(O)cc1 1823588707 DZQMBLOEHOWXOS-ZHCYEPILSA-N 496.558 5.050 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC2)C1 1823702023 RSNQJSPPMVNYQR-XMMPIXPASA-N 474.686 5.255 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1823807393 OCNNDITZYTUCTF-AREMUKBSSA-N 489.019 5.169 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1824387627 MBNHNYAPGCFVAW-VHSZZVNMSA-N 489.685 5.728 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824637827 OYZDLYMGGFGMHP-ANYOXOOPSA-N 492.969 5.044 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2F)CC1)c1ccc(O)cc1 1824730038 YEHVIVRHYBJYFH-ZJSXRUAMSA-N 482.621 5.023 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827266087 HIHFQYRLIGTQIP-UGKGYDQZSA-N 486.081 5.951 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)CC1 1827339239 GUPWTBUEGWLGMJ-HSZRJFAPSA-N 464.654 5.282 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c1 1828134643 VGHFUEAVOOTWMR-CYFREDJKSA-N 486.641 5.470 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)CC2)CC1 1828320911 YAELBEFUNUQKCE-IBGZPJMESA-N 456.011 5.092 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828496343 YQEGSMJNVCAXOK-KBMIEXCESA-N 484.040 5.021 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)s2)CC1 1828904308 UVCSENKTQMQNOQ-FQEVSTJZSA-N 462.707 5.172 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)c1 1829777317 SJOPLDJEPRPJLW-DEOSSOPVSA-N 497.624 5.196 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829902783 VPOFDOHLAYYISL-IBGZPJMESA-N 455.451 5.146 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)cc1 1830015770 PSFVXKCEWYYZKI-UUSJWDGRSA-N 461.650 5.398 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1830417081 XNTQOCVOLKTWKX-LAUBAEHRSA-N 473.614 5.075 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1830447859 SBXZAOYTLUKCJI-MUUNZHRXSA-N 478.596 5.167 30 20 JKED O=C(c1ccns1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602027 OANUAQMHDMTZTL-AREMUKBSSA-N 483.637 5.090 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1 1830639803 GAPUTHWANUIBOE-RPWUZVMVSA-N 497.680 5.006 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c(Cl)c1 1830722410 HYSPFCXTRFHBMA-HSZRJFAPSA-N 471.935 5.037 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1830769349 LYIFTBFLXKNTLC-NRXURXQESA-N 481.596 5.560 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1831445546 CDZRNFQGGOUIIA-DEOSSOPVSA-N 483.603 5.351 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1)C(F)(F)F 1831450124 BSKVVAVGTBRARB-QHCPKHFHSA-N 473.539 5.342 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C(C)C)cc2)CC1)C(F)(F)F 1831454690 GHXADWAZNMEPMH-QFIPXVFZSA-N 450.545 5.091 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCn2cccc2)CC1)c1ccccc1 1832267642 YUWGFJBEFKHMKK-NSOVKSMOSA-N 473.661 5.085 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCCCC3(F)F)CC2)c1 1832629403 PGPWQLPKDVXRFL-YGOYIFOWSA-N 471.592 5.372 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832679868 AAHFUXVBQZRJJS-LJAQVGFWSA-N 499.655 5.213 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccnc3SCc3ccccc3)C2)c1 1844586518 FSYGGZNJHQUVSJ-OAQYLSRUSA-N 496.636 5.132 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)c1 10174477 ZBDDOZUSPZMUTG-UHFFFAOYSA-O 453.587 5.960 30 20 JKED CCOc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2)cc1 10240121 NMGIGGJFOWOETJ-SFHVURJKSA-N 469.570 5.324 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(SC(F)F)cc2)[n+]2ccc(N(C)C)cc2)c(C)n1C 11113487 ZXGIKGIHYBVEDR-UHFFFAOYSA-O 489.637 5.361 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1C(F)(F)F)[n+]1cccc(CO)c1)c1ccc2c(c1)CCC2 11157776 YOUFAPLOSZVNDF-UHFFFAOYSA-O 471.524 5.025 30 20 JKED COc1ccc(Cl)cc1-c1nnc(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[nH]1 11709207 HORGXPASXALWBC-UHFFFAOYSA-N 476.389 5.135 30 20 JKED CCc1cc2c(=O)n(CCc3ccccc3)c(SCC(=O)Nc3ccc(CC#N)cc3)nc2s1 20065139 MIGNJDGFHIDTJH-UHFFFAOYSA-N 488.638 5.060 30 20 JKED CC(C)c1ccc(CSc2nnc(SCC(=O)Nc3ccc(CC#N)cc3)s2)cc1 20077915 OATSOJZEUQVBMO-UHFFFAOYSA-N 454.646 5.751 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)cc12 21458335 CRUYTHRWSYVAIB-CQSZACIVSA-N 464.934 5.105 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 22731106 LDLNFSFAHDCQAQ-UHFFFAOYSA-O 477.349 5.254 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Br)c2)cc1 22732564 QTYSTOHFAJPKCM-UHFFFAOYSA-O 490.393 6.018 30 20 JKED C=CCn1c(S[C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1C1CC1 22990025 WUQRLTYZSRZICV-MRXNPFEDSA-N 450.011 6.246 30 20 JKED CC[C@H]1CCc2sc(-c3nnc(SCC(=O)N(CCC#N)c4ccccc4)n3C)cc2C1 23475625 DYLPKXBLNWLAJL-KRWDZBQOSA-N 465.648 5.097 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC2CCC(C)CC2)nnc1-c1ccc(Br)cc1 24015754 VNFVMQLIUFXUOA-SWKXRBFHSA-N 463.445 5.069 30 20 JKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)Cc2cccc(C#N)c2)cc1OC 25105487 FXKMNBBPDCVBDE-XQNSMLJCSA-N 489.575 5.883 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 33150725 HWASRTGCJCSAQS-UHFFFAOYSA-N 494.317 5.139 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1Br 71944221 KTSQWQRUIUFZIQ-HNNXBMFYSA-N 463.335 5.456 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1 108740076 BVBVWSMJARDVFL-UHFFFAOYSA-N 483.587 5.098 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 195736523 OQFMXVFIHSYSIU-UHFFFAOYSA-N 484.606 6.028 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 255930870 PLJOYFSQZREJHL-HOTGVXAUSA-N 474.989 5.194 30 20 JKED N#C[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1cccc(Cl)c1Cl 303385115 NLBXBGFEWKETQH-KRWDZBQOSA-N 466.777 5.606 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1Cl 484221918 QBZJZELYPBFLNT-JTHBVZDNSA-N 487.943 5.026 30 20 JKED C=CCN(C(=O)Cc1nn(C)c(=O)c2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 498713976 BHDFHZJNWAWWDP-UHFFFAOYSA-N 492.604 5.486 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc1 499696943 SQNIABXGDOVUQT-JOCHJYFZSA-N 453.901 5.545 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(C)c1I 500752391 FVMONLFFIPLWSI-UHFFFAOYSA-N 468.294 5.824 30 20 JKED CCCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2cc(Cl)ccc2c1=O 501104031 XPXYQBYYAKLWDF-UHFFFAOYSA-N 464.978 5.303 30 20 JKED Cc1cc(=O)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)nn1-c1ccccc1C(F)(F)F 502819697 KYMXWUWOYGCHKB-UHFFFAOYSA-N 472.492 5.014 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1 508257158 GGBCHMYHGYKGFE-DEOSSOPVSA-N 471.492 5.143 30 20 JKED C[C@@H]1CCc2c(sc3nc(SC[C@@H](C#N)CCC#N)n(CCc4ccc(F)cc4)c(=O)c23)C1 508426300 NZUSQAVXUAUIEJ-SJLPKXTDSA-N 480.634 5.500 30 20 JKED Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1NC(=O)c1ccc(Br)cc1 509585219 FSJAGUBZNPITMW-UHFFFAOYSA-N 492.373 5.921 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 510211255 NOKSLNYEOITKQR-HNNXBMFYSA-N 480.619 5.008 30 20 JKED COc1cc(/C=C\c2ccc(C#N)cn2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 510313917 KEGCOMSHKVMQGQ-TWGQIWQCSA-N 453.420 5.169 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)nc(-c3ccc(F)cc3)nc2SC)cc1 511764480 XSGZVCXAPNEVRB-UHFFFAOYSA-N 476.577 5.380 30 20 JKED N#C[C@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc(O)c2c3c(sc2n1)CCCC3 513654578 LZTLLKJRNIFEOF-OAHLLOKOSA-N 459.552 5.387 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CC1 514403385 JZIGOVCCBCKYKA-UHFFFAOYSA-N 478.512 5.205 30 20 JKED N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1Cl 515263021 MNPISFYVFDVPPZ-IBGZPJMESA-N 477.351 5.233 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC(F)F 515887307 UWQCKRBNIPNFJD-FOIQADDNSA-N 483.902 5.413 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 516270295 QXRUECIHAHWDFO-IBGZPJMESA-N 456.552 5.694 30 20 JKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 516423965 JOOJWYHJNRVYRR-VIFPVBQESA-N 454.317 5.161 30 20 JKED C=CCN(C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518240206 UJTHMBGVMGPXSX-PMACEKPBSA-N 486.551 5.614 30 20 JKED Cc1sc2nc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n(C(C)C)c(=O)c2c1C 518654116 ZFYNFCHAQSMIJQ-AWEZNQCLSA-N 486.688 5.781 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2ccc(F)c(F)c2)n1 518655558 RPWOYNYGRACMIP-AWEZNQCLSA-N 459.543 5.743 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Br)ccc1F 518655691 UZKPLEVLLQMLOD-ZDUSSCGKSA-N 453.402 5.854 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 518784451 CVLHXPMCVOKZFW-UHFFFAOYSA-N 475.573 6.554 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)cc2)cc1 519026780 YUUIUYSAFYKOQS-UHFFFAOYSA-N 460.540 5.302 30 20 JKED N#C[C@H](C(=O)c1cccc(I)c1)c1nc(-c2c(F)cccc2F)cs1 520429320 KMLNRFSUCFYVPE-GFCCVEGCSA-N 466.250 5.183 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 521700424 ABQCRBIQEIFLMC-SANMLTNESA-N 469.585 5.566 30 20 JKED COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OCCOc1cccc(Br)c1 524680647 MMLDDEVUIHDEOE-SFHVURJKSA-N 481.390 5.638 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(OC3CCCCC3)nc2)cc1 565852216 IKNKZHYBZMRWJF-UHFFFAOYSA-N 470.573 5.760 30 20 JKED N#CCn1c(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc2ccccc21 591862321 PKKOELGFEOJSRL-UHFFFAOYSA-N 464.575 6.399 30 20 JKED COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OCc1cccnc1 603634198 LCPRASULBJKSSO-UHFFFAOYSA-N 481.577 6.085 30 20 JKED CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 603706273 VWTLFCIMMUKPJI-JOCHJYFZSA-N 451.979 5.460 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 603739821 IEWZKBCNBXIAGS-UHFFFAOYSA-N 482.521 6.366 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1Cl 603766785 YSCWULASESSFTR-RUZDIDTESA-N 453.929 6.222 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)c2)c1 603831467 BAKUNNSGVCLGPD-DEOSSOPVSA-N 470.529 5.922 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 603917251 JFYBMWJGRLYQFX-MSOLQXFVSA-N 499.665 6.096 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 604004144 ZJXLYPOSYGCMMY-UHFFFAOYSA-N 482.565 5.222 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)cn2)cc1 604241646 DPNCZTOHHZJOCM-UHFFFAOYSA-N 461.481 5.225 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](Cc3cccc(F)c3)c3cccc(F)c3)cn2)c1 604510175 KIAMZHPYVAUHKX-VWLOTQADSA-N 498.489 5.062 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 608850495 WBZKLWCZLBKWDG-UHFFFAOYSA-N 491.020 5.367 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)c2)cc1 609209102 XZIVRIUEEJPDPJ-UHFFFAOYSA-N 466.541 5.439 30 20 JKED CC(C)(C)c1csc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 609256316 UWBFFLUNTWVDBK-SFHVURJKSA-N 466.994 5.004 30 20 JKED Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccccc3SC[C@H](C)C#N)nc2n1 609376511 CWAOMKIJIPDVGD-MRXNPFEDSA-N 488.642 5.538 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378506 MCUJCBOOZXNMQR-UHFFFAOYSA-N 461.513 5.099 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 609436934 YQAXWCXFXVOLGB-SJLPKXTDSA-N 465.554 5.681 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 726401568 TVYZODSSFLSUBZ-DYESRHJHSA-N 474.026 5.342 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCC)c1 726411071 GKNXHOVQRLUZMR-HXUWFJFHSA-N 473.520 5.447 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1cccnc1)c1cccs1 726421366 QBCZMLZKBUHOOL-GUPKRBROSA-N 482.606 5.433 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(C)=O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1F 726576574 VNGLLLCWWQAUGJ-UHFFFAOYSA-O 494.612 5.513 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 727134007 ULEROLYBUNVEDK-YSZBQJHXSA-N 476.577 5.561 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C/c1cccc(Br)c1 727355425 RHXLCMPTXODARL-PKNBQFBNSA-N 470.348 5.229 30 20 JKED CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCC(=O)Nc2ccccc2C)cc1 727649763 MNMPBBOQQJNFJZ-UHFFFAOYSA-N 452.898 5.410 30 20 JKED COc1ccc(OCc2nc(/C=C/C(=O)c3ccccc3I)cs2)cc1 727779949 CPMIQPZLLGNEKT-IZZDOVSWSA-N 477.323 5.231 30 20 JKED N#CCOc1ccc(CNC(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)cc1 727843606 FWNMEAUXBAAYEM-UHFFFAOYSA-N 491.416 5.678 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4)n3)s2)cc1 727973981 CXJUGNUGSCJLOF-JYRVWZFOSA-N 493.585 6.303 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 728122068 WLUAJEYIOMLNKY-LJQANCHMSA-N 490.991 5.510 30 20 JKED Cn1cc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 728156626 KRYLRYMOYMWSOQ-WTKPLQERSA-N 465.359 5.094 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 728412232 SGWLBLMSNUGFCZ-CPJSRVTESA-N 454.570 5.517 30 20 JKED COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1F 728422609 DHPJUURSAFGVCL-HSZRJFAPSA-N 495.551 5.176 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(CCCCC#N)C1=O 728779428 ZRYBTJQKXKWNFP-JOCHJYFZSA-N 499.036 5.620 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(C2CCC2)C1=O 730460534 AWELCAYDOHWOQY-FQEVSTJZSA-N 475.973 5.309 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccccc1 730719812 DORAFCKHCGXRLA-GOSISDBHSA-N 475.357 5.142 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2cocn2)cc1 730720491 RJIRVTZSXVBADG-SFHVURJKSA-N 489.384 5.450 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)c(Cl)c1 730720861 OEEBDGOMOLYLID-NRFANRHFSA-N 497.020 5.722 30 20 JKED COc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 731128994 GBNDTTCCBSJVSM-IAPPQJPRSA-N 475.548 5.195 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)c1 731305620 FEBDTWBPQWDZIO-XMMPIXPASA-N 484.581 5.041 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731305665 FUMIDCORDPDZTA-VFNWGFHPSA-N 480.977 5.162 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 731307183 FUXCWCVWMBXZCR-FDDCHVKYSA-N 474.586 5.126 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731307521 IDJODAPTCXPVRM-PKTZIBPZSA-N 475.545 5.179 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(CC(F)(F)F)C2=O)c1 799216113 TUFKNQYEMSSLMN-IBGZPJMESA-N 479.524 5.341 30 20 JKED CC(=O)Nc1ccc(C(C)=NOCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1 837151483 RLCLAQBBUBIYKI-HSZRJFAPSA-N 478.936 5.010 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1cccnc1 837301813 PALZSOYXABRPTJ-VGOFRKELSA-N 462.550 5.251 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N([C@H](C)c3ccccn3)C2=O)c1 837644105 WYHSNIDBQOHXRA-DVECYGJZSA-N 488.613 5.429 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)cc1F 838591595 YDWCHIFUQBUTGX-INIZCTEOSA-N 471.501 5.260 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N([C@@H](C)Cc2ccco2)C1=O 914690737 DEJISNLPYLCCPI-MBSDFSHPSA-N 477.586 5.188 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101897 NZSQLOFSPBRPGR-RTBURBONSA-N 470.019 5.191 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 915644685 KMSWHJJVHPCVOK-UNMCSNQZSA-N 464.491 5.611 30 20 JKED O=C(O)Cc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 915990233 KCBBITGDFKTNJF-IZZDOVSWSA-N 454.309 5.769 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1Cl 916057329 QLKALEQVHKXYPO-XMMPIXPASA-N 457.961 5.760 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916057467 QZECTWOEIFWQEN-NRFANRHFSA-N 461.352 6.395 30 20 JKED Sc1nnc(SCc2ccccc2)n1N=Cc1sc(Nc2ccccc2)nc1Cl 916368851 RMRYWVUFINSBTO-UHFFFAOYSA-N 459.025 5.595 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)cc1 916612764 AWTYKKDJODKXIU-UHFFFAOYSA-N 495.482 5.875 30 20 JKED C[C@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(SC(F)F)cc4)cc3c2C1 916887445 OMXVJBGZCVZGLN-ORAYPTAESA-N 453.514 5.569 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916903884 XYAVZWDFWWVQNK-CQSZACIVSA-N 460.342 5.395 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccco1 916941874 AZCNUONDLUYGHT-KRWDZBQOSA-N 456.285 5.108 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2ccccc2C(F)(F)F)cs1 917534030 SPODVMMRBBLNML-UHFFFAOYSA-N 497.955 5.820 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Br)cc2)cc1 917614126 ZBRQDCPRLFUKDK-UHFFFAOYSA-O 479.423 5.884 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCOC)C1=O 917699020 QDXMGABVCLNXJF-DEOSSOPVSA-N 491.613 5.235 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 917702542 UBWPNINZRSWHIM-VWLOTQADSA-N 491.576 5.267 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C2CCCC2)C1=O 917705151 VGHSLTCZAVDUMQ-HSZRJFAPSA-N 476.602 5.250 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1-c1ccc(F)cc1 919825737 UJPNVOFZIRJIHK-UHFFFAOYSA-N 459.502 5.327 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 919904795 SUAIMGMNRYGUKF-RUZDIDTESA-N 493.529 6.231 30 20 JKED Cc1ccc(Oc2ccc(Cl)cc2NC(=O)COC(=O)c2ccccc2OCC#N)cc1 920634557 XCSYVRNJFPHAIR-UHFFFAOYSA-N 450.878 5.139 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H](C)COCC(F)(F)F)C2=O)cc1 921254706 ZTAMAMIXPVVBTQ-FXAWDEMLSA-N 493.551 5.231 30 20 JKED C[C@@H](COCC(F)(F)F)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 921254906 UIFPESWPPZCOGW-KSSFIOAISA-N 499.942 5.268 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)c3c(C)noc3n2)cc1 928976689 YDWHCOWITPIHRG-UHFFFAOYSA-N 488.931 5.264 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3nc4ccc(C)cc4s3)cc2)CCC1 1787572021 BKDSLHQNBJDUKR-UHFFFAOYSA-N 463.603 5.335 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951250 WPLRZGXFDVRANQ-SCTDOJESSA-N 455.602 5.302 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4noc5ccccc45)cc3)CCC2)c1 1788173460 WFEFQWNXXUKUMT-IBGZPJMESA-N 478.552 5.445 30 20 JKED CCSc1ncccc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649832 XYXDYJVFUGYTPR-OUKQBFOZSA-N 491.638 5.442 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cccc6ncsc56)cc4)CCC3)c2c1 1789344476 UXXLCVWTRYKKEL-UHFFFAOYSA-N 492.564 5.106 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccn4cncc4c3)cc2)CCC1 1789346480 BRJJALBAMRYZPQ-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)CCC2)cc1 1789453661 DTNZIUWNUKRBDJ-OYDLWJJNSA-N 495.664 5.392 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4Cl)cc3)CCC2)c1 1789681338 HEVHAAMFBBMJJU-QGZVFWFLSA-N 458.949 5.424 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3C(F)(F)F)CCC2)cc1 1790569181 GOQASGFMOJXFBJ-OAHLLOKOSA-N 479.474 5.393 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)C(C)(C)CC)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1791263253 XHSFABIGIFPYIO-NRFANRHFSA-N 469.626 5.122 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cnc5[nH]ccc5c4)cc3)CCC2)c(Cl)c1 1791490493 JQIBEWLXKFGOAF-UHFFFAOYSA-N 497.986 5.468 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cnn4c(-c5ccsc5)ccnc34)CCC2)cc1 1791727505 TUSSYEMUVUVTLZ-UHFFFAOYSA-N 497.624 5.399 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4OCC4CC4)CCC3)cc2)c1 1792123108 JDQLXPUZHXECFS-FQEVSTJZSA-N 494.595 5.559 30 20 JKED CC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1 1792123802 CGPVJMZHHYAIEM-LJQANCHMSA-N 480.568 5.334 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@H]4CCCN(C(=O)OC(C)(C)C)C4)cc3)CCC2)C1 1792207244 AMILMKMUEJJLEB-HXUWFJFHSA-N 481.637 5.124 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccc(Cl)cc5)[nH]n4)CCC3)cc2)CCC1 1792231176 AEVZOJZDOLYUIL-UHFFFAOYSA-N 473.964 5.172 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCCN(C(=O)OC(C)(C)C)C4)cc3)CCC2)C1 1792394537 MTLULHMIHXDUNA-HXUWFJFHSA-N 481.637 5.124 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)ccc2[nH]1 1797976748 PBKNCJFUIKPEGN-REPLKXPHSA-N 472.427 5.175 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn(-c3ccccc3)nc1C(F)(F)F)C2 1798591649 HRLBHYJDLLRJQS-FNLKRUPLSA-N 488.554 5.135 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cc(Br)ccc1OC 1802189116 IGMXOXWPRKSHRD-XUZQTMSHSA-N 489.454 5.102 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1802632116 UTOOZNHWHNUYOU-XAPVIXHLSA-N 466.025 5.073 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1802746465 BFASRUMUEYKIMA-MIZPHKNDSA-N 487.522 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1805067011 YJFOZQFOINDHIG-GEWUYGHSSA-N 486.591 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H](c3ccccc3)N(CC)CC)CC2)C1 1805458635 RCMOXLKZRQXZJL-SANMLTNESA-N 465.682 5.069 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccnc3s2)[C@@H]1c1cccnc1 1809170454 NPGQEOLYQCLOGK-IRLDBZIGSA-N 462.619 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1809195217 HRKVCFUBPQMLEA-CYFREDJKSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cc(OC)cc2C)[C@@H]1c1cccnc1 1810504063 VVAFEAGLTDOAFF-RCZVLFRGSA-N 463.622 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cc(OC)cc2C)[C@@H]1c1cccnc1 1810504068 VVAFEAGLTDOAFF-WIOPSUGQSA-N 463.622 5.019 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)[C@H]2c2cccnc2)cc1 1811897256 HGYLWRNMKUUINJ-JPYJTQIMSA-N 497.357 5.033 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1811907294 IEAFZVILDVETOM-RDGATRHJSA-N 482.100 5.106 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)ccc(F)c1F 1813849050 JKJIGWGYBSUQKM-LVXARBLLSA-N 497.662 5.039 30 20 JKED Cc1scc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c1C 1813865560 TTXPQKAQFCCOJD-HGMMTPDKSA-N 472.614 5.020 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)[nH]n1 1814413719 SGFKYJWAVAGPKN-YAECTWJJSA-N 459.575 5.061 30 20 JKED Cc1noc(C)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1816403947 QHBNCTXKMPLZCQ-VWLOTQADSA-N 493.567 5.034 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)n[nH]2)cc1 1818593260 HKKODYXODZNOQW-QHCPKHFHSA-N 486.963 5.230 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Br)cc3s2)n[nH]1 1819076222 ARLKGTNNHIYVNU-IAQYHMDHSA-N 493.452 5.011 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccc(Br)cc4s3)n[nH]2)C1 1819076710 TWTQCAHGTOBIKQ-GOSISDBHSA-N 499.434 5.659 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)[nH]n1 1819311087 KTVNUFGNVMZCBS-NFBKMPQASA-N 480.584 5.412 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821047410 LRHBHZDRXZWPIG-NTKDMRAZSA-N 474.561 5.099 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3cc(Br)ccc3c2)[nH]n1 1821925164 NHXAOOLTZLZCPZ-BTYIYWSLSA-N 496.409 5.239 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(N(C)C)cc3)[nH]n2)c1 1823215884 JGHXITCRZSKYTK-FQRUVTKNSA-N 498.631 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(NC(C)=O)c2)CC1 1823753739 ZHOZGOXFUMALBX-VWLOTQADSA-N 467.654 5.179 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1823811209 FHEPIMJMCXQDBE-QHCPKHFHSA-N 484.427 5.341 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1824539516 CPCRXQGHYVQPFO-GJZUVCINSA-N 493.673 5.616 30 20 JKED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)CC2 1825127282 ZUMOSJJTNGYAOA-BBRMVZONSA-N 469.010 5.091 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C(F)(F)F)CC1 1828823277 QQBCNHRFPUAJDZ-ZWKOTPCHSA-N 469.573 5.164 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)C3)CC1 1828825434 VXYIDRAZXOBXOG-UKILVPOCSA-N 464.650 5.402 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828916323 SJKLJDNYCTUNNA-TUJXVDMFSA-N 493.479 5.007 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)nc3ccccn23)CC1)c1ccccc1 1829033241 UYXNXCGGADBOPA-KAYWLYCHSA-N 496.655 5.073 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1829069316 VZGXNROMUCTEHH-HHHXNRCGSA-N 473.661 5.974 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccn(-c4ccccc4)n3)CC2)c1 1829783205 YHQRVVUGKMRMLX-DWACAAAGSA-N 495.627 5.046 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830012325 FVGLYSHJJJIQSI-RUZDIDTESA-N 482.584 5.069 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3C)CC2)c(C#N)c1 1830285428 NHNHMCKBQIICBA-SANMLTNESA-N 494.035 5.005 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1830415718 ZYQKTGOGBOWUAA-RHSMWYFYSA-N 474.454 5.089 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1F 1830713656 HLFDNCTVELZPPV-AREMUKBSSA-N 479.571 5.011 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830830675 ZEAJXUSAUCDKIO-HOYKHHGWSA-N 454.014 5.334 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 1831442177 ONZQLEJJJYMMDM-IBGZPJMESA-N 487.360 5.033 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC2)C1 1831715963 PFWWWXRJYOOLBL-VXNXHJTFSA-N 485.466 5.139 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831854435 BBSPWJICMMXMMT-QHCPKHFHSA-N 475.460 5.448 30 20 JKED CCSc1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832628651 ZWHYXPIOOYXODX-NLFFAJNJSA-N 490.673 5.368 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1832667028 UXYWGFVJBRUUNY-VWLOTQADSA-N 494.035 5.086 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711437 KYOVJUNURGZLOD-KRWDZBQOSA-N 468.413 5.030 30 20 JKED CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 9073448 MDXIRRKCEPMERY-UHFFFAOYSA-N 458.583 5.771 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(CC)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10174002 DMLVNNNQOKTHRV-UHFFFAOYSA-O 495.668 6.577 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1cccc(Cl)c1C 11258671 YJTWKWNLTHPLAP-UHFFFAOYSA-O 452.043 6.673 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 14582347 CIRNNNPFUVOCNJ-UHFFFAOYSA-N 451.360 5.026 30 20 JKED Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C 16866699 QVHGOKQYHZDQPI-OAHLLOKOSA-N 451.621 5.112 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(Br)cc1 22217584 UMDBNXHMIHLNPX-GFCCVEGCSA-N 495.805 5.805 30 20 JKED CC(C)n1ncc2c(/C(O)=N/c3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)cc(-c3cccs3)nc21 22304526 CIRYJDVEYGKSIH-HZPDHXFCSA-N 496.662 5.443 30 20 JKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 22729783 ASSDDQSUFAQDKB-UHFFFAOYSA-O 457.663 6.644 30 20 JKED C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2 22929397 GMPRKDFAWRNJRP-AWEZNQCLSA-N 457.511 5.101 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 23610491 RWLJRQBDMPYZEU-QGZVFWFLSA-N 499.061 5.997 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccoc1C 23871206 WIFLQCYUDJGYPF-LBPRGKRZSA-N 451.379 5.309 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccc(C(C)(C)C)cc1 23998917 PJKSTXJEKICRQE-KRWDZBQOSA-N 480.634 5.565 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1 29204869 UZBPRTABQDMDAL-UHFFFAOYSA-N 468.561 5.547 30 20 JKED C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)c1ccc(C#N)cc1 33180314 WSXKLXOTYROZDM-ZDUSSCGKSA-N 464.308 5.157 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 107648384 UNFQCIMSELAJBM-JOCHJYFZSA-N 475.379 6.454 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1Cl 195622707 XSRRVVJLVLYUOO-FQEVSTJZSA-N 480.877 6.452 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccccc2)C2CCCCC2)CC1 195700592 ZWGOPUBZZQKEQK-UHFFFAOYSA-N 458.562 5.384 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc(Br)cs1 409517438 BBNNZMNDDFTJRN-UHFFFAOYSA-N 462.182 5.310 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CSCc3cc(-c4cccs4)on3)c2)c1 488640727 DYRUEOYEJMQQIL-UHFFFAOYSA-N 474.567 5.399 30 20 JKED CCCCCC(=O)NC1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 498837535 MVOHTJDKYRFJGJ-UHFFFAOYSA-N 462.594 5.024 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC2)c1 502681154 QVEMCYASIBJSRM-UHFFFAOYSA-N 472.520 5.159 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC1 503147991 YTTCHIMCDNLZBT-UHFFFAOYSA-N 486.503 5.270 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](c3ccccc3)c3ccc4c(c3)CCCO4)CC2)c1 504474893 GWLARLDQKWWWLG-MUUNZHRXSA-N 467.569 5.226 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 505161785 DXDGJOUYFCMSBH-UHFFFAOYSA-N 487.570 5.230 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1 507721184 AKDLVYMPSQGJQT-UHFFFAOYSA-N 478.524 5.707 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Br)c(OC(F)F)c(OCC)c1 507740023 HQGVVRZJAQQRDT-GOSISDBHSA-N 453.283 5.202 30 20 JKED C[C@H](C#N)CN(C)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 510020349 RMJWJYIFKOTWBZ-SNVBAGLBSA-N 450.408 5.395 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 510243292 PQYJMWAGICYAGV-UHFFFAOYSA-N 450.420 5.666 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 510912302 AFLMZFXBLMZQEA-UHFFFAOYSA-N 489.645 5.763 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 512800592 DXQBYTHOASMIPN-UHFFFAOYSA-N 458.008 5.520 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 512959030 RYSZCMAHEZNLED-QGZVFWFLSA-N 460.433 5.621 30 20 JKED CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1cccc(C)c1 513275376 DPMHNJDQIFBFKE-INIZCTEOSA-N 465.648 5.595 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(NC(=O)C2CC2)cc1 514119099 RAJWICSOYSYUCY-LJQANCHMSA-N 470.548 5.519 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)COCC(=O)Nc1sc(-c2ccccc2)cc1C#N 515689425 UPNZZZOEPFZMMD-UHFFFAOYSA-N 498.589 5.481 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cc(Br)cs3)cc2Cl)cc1 516040922 RMAQLZRCKDQLMO-UHFFFAOYSA-N 490.766 5.083 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)CC1 516462266 RDZWGNSMRAYJCD-UHFFFAOYSA-N 473.464 5.092 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCCOc3ccccc3)n2)cc1 517800971 TXLVSBCTPUEBBP-QHCPKHFHSA-N 470.550 5.767 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1 519502633 FAYFPPRNOGYLAG-RUZDIDTESA-N 453.542 5.020 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)c1 520148069 DYXISEPHJJWFGY-UHFFFAOYSA-N 461.587 5.027 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3SCCC#N)cc12 520805570 LQSRXUUYUODKLC-UHFFFAOYSA-N 452.992 6.307 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 520880929 VDWGMNRMIPNKCT-HNNXBMFYSA-N 463.465 5.448 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(Cc2ccc(Cl)cc2)n1 521722321 CEGKWKQTSQGQCD-INIZCTEOSA-N 488.103 6.653 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccccc2Cl)cc1 522450594 BLSGMTICZGKDMH-INIZCTEOSA-N 463.921 5.171 30 20 JKED CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)cc1 522538711 RKFCEQMPPZJLTP-UHFFFAOYSA-N 498.560 5.585 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 553005572 TVGHZMKSNYSHST-UHFFFAOYSA-N 477.524 5.628 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 553070780 ACHGEESFKMLJOA-KUHUBIRLSA-N 477.417 5.880 30 20 JKED CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1cc(C#N)ccc1OC(F)F 556511468 ZQWPSLNTACNBFI-UHFFFAOYSA-N 453.493 5.426 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 595127235 KESIPIRXVQJWJG-SFHVURJKSA-N 461.930 5.823 30 20 JKED C[C@@H](Nc1cccc(COCC(F)(F)C(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 604045909 JUJBJLFAWPHDLQ-CQSZACIVSA-N 483.531 5.745 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 604085002 RWNHMOYMOLZDKU-HXOBKFHXSA-N 497.020 5.128 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 608938504 FALVMEHRWHNYMA-UHFFFAOYSA-N 496.611 5.234 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(-n2ccnc2)c(F)c1 609079224 PNALUHCZWRTLCT-UHFFFAOYSA-N 455.493 5.092 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](c3cccs3)C3CC3)cc2Cl)c1 609085486 QJMASVDOQJXOLN-QFIPXVFZSA-N 465.962 5.058 30 20 JKED CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)NC2CCN(CC#N)CC2)cc1 609338533 RYYUGBXFCIVIGY-UHFFFAOYSA-N 462.472 5.006 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 609400328 YRLXKNGSJVKGPQ-GAJHUEQPSA-N 463.990 5.436 30 20 JKED CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc21 610481848 UMQXNJBJCUGPFN-QHCPKHFHSA-N 479.989 5.095 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1F 613390682 YHTVHKVFYPRAHX-MSOLQXFVSA-N 460.578 5.781 30 20 JKED N#C[C@@H](C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613404879 PVTBKWAUVDBMQK-INIZCTEOSA-N 485.512 5.797 30 20 JKED C=CCn1c(SCC(=O)NCc2sccc2C)nc2scc(-c3cccs3)c2c1=O 613827583 GESXMPVQUQVVBS-UHFFFAOYSA-N 473.670 5.151 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(CC)cc2)c2cccs2)nc2sccc2c1=O 613908290 VWXBBBZKSKYXSS-OAQYLSRUSA-N 481.668 5.266 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1-c1cccnc1 614509921 DFVIMEGKYKMTDB-UHFFFAOYSA-N 462.604 5.268 30 20 JKED COc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OCC(F)(F)F 618542094 RJPIPHLIORXJBS-AOOOYVTPSA-N 468.316 5.231 30 20 JKED N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 619693429 NKDDPWFQSDEVGE-UHFFFAOYSA-N 482.319 5.280 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)s2)cc1 620304340 VDAURWIQZQSELJ-HNNXBMFYSA-N 467.522 6.019 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCC(c2nc(C(F)(F)F)cs2)CC1 622639334 XDRIKGZPIVNMBW-UHFFFAOYSA-N 492.420 5.525 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCc3cccc(OC)c32)c1 642114044 OYVKWUNIWFZCNW-UHFFFAOYSA-N 497.016 5.323 30 20 JKED N#C[C@H](C(=O)c1occc1CS(=O)(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 642281802 LHOREWUCRJFBQM-LJQANCHMSA-N 482.970 5.520 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 725995774 LOGMZNQJJJRAJS-MRXNPFEDSA-N 487.503 5.630 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c(C)c2)[n+]2ccc(C(CC)CC)cc2)c1 726572882 QOAUYUBTPSKXCX-UHFFFAOYSA-O 455.647 6.799 30 20 JKED CC(C)(C)C1C/C(=C\c2nccn2CC(F)(F)F)C(=O)/C(=C/c2nccn2CC(F)(F)F)C1 727745051 PJYHLOZBYIJMDG-WFYKWJGLSA-N 474.449 5.696 30 20 JKED CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(OCC#N)cc1)N(C)C 727942096 VKYXWDCAZMSRRM-HSZRJFAPSA-N 477.436 5.194 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)cc1 728171804 JMTKDPILWJOVIO-UHFFFAOYSA-N 452.898 5.054 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 728391671 AZXIACHPMFOFJX-FQEVSTJZSA-N 482.556 5.045 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 728466590 WMXSBXVHMKDDKT-NRFANRHFSA-N 471.611 5.728 30 20 JKED Cc1ccc(-n2c(-c3ccncc3)nn(CN3CCCN(c4ccccc4C#N)CC3)c2=S)cc1C 728710057 MIOXOLPHVNTAGK-UHFFFAOYSA-N 495.656 5.124 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3scnc3C)C2=O)c1 729144617 WAIMKSGIAMBCRO-FQEVSTJZSA-N 482.606 5.368 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H]2CCc3c(C)cccc32)C1=O 729630843 DVAJGZVKAVMVTB-RBUKOAKNSA-N 475.586 5.065 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCc1c(C)noc1C 730441487 FZJDCVFNNABCFG-JOCHJYFZSA-N 497.020 5.456 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 730444294 LNYQAIJVGTUHQN-OAQYLSRUSA-N 482.993 5.148 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CCC2)cc1F 730463262 VTAWZAIOAKSAGE-IBGZPJMESA-N 461.946 5.001 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(Cl)cc2)s1 730717217 HKFISENNWYYLHH-KDOFPFPSSA-N 486.022 5.221 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(Cl)c1 730720256 PIQHWOXRTYLOOP-NHCUHLMSSA-N 492.004 5.086 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)c2cccnc2)C1=O 730943957 OGVNWSIJYMYHLK-AOMKIAJQSA-N 496.995 5.904 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 730944219 TXTPNWFMOMQKNO-BTYIYWSLSA-N 482.968 5.596 30 20 JKED N#CCOc1ccc(CSc2nccn2-c2ccc(C(=O)NCc3ccccc3F)cc2)cc1 731158148 SKYOHBORLALHLE-UHFFFAOYSA-N 472.545 5.136 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c1C 731309551 XFRVVZBDPCMHOR-SBUREZEXSA-N 477.586 5.194 30 20 JKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)c2)C1 745136339 YBNUEYFAHJYUNH-OFNKIYASSA-N 497.661 5.020 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 746696781 URYPVGGLIGNPTQ-OAQYLSRUSA-N 474.026 5.425 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 746698080 UBDOMRWMYFDQMC-IBGZPJMESA-N 495.979 5.394 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCCOC3CCCC3)C2=O)cc1 747043822 MJMVYNMTHXCCPM-XMMPIXPASA-N 494.661 5.062 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cscn3)C2=O)cc1 747601137 DIAOOHFBGPUAOY-OAQYLSRUSA-N 494.642 5.319 30 20 JKED N#C[C@]1(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)CCSC1 749613481 WFLLJXLBZYQJBZ-OAQYLSRUSA-N 470.670 5.085 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1 750393137 YIWORJGGKBGIFD-QFIPXVFZSA-N 469.570 5.300 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)c(C)c2)nnc1-c1ccc(Cl)cc1 760320635 JDTUVHTVWQAKRO-UHFFFAOYSA-N 468.026 5.424 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(F)(F)F)c1 799214406 FXPHVTXSBATFMO-FQEVSTJZSA-N 487.503 5.371 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O)Nc1ccccc1F 837744116 JOVRJCAGNNFQPB-IBGZPJMESA-N 457.527 5.187 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 837839961 XNPLINGYRHWTLI-VGSWGCGISA-N 462.550 5.251 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837918411 MQZXGEIQYCMSSE-UUOWRZLLSA-N 488.613 5.374 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3OC)N(CC(F)(F)F)C2=O)cc1 838521850 HWPZBYNESVDYTQ-LJQANCHMSA-N 495.523 5.007 30 20 JKED COc1ccc(NC(=O)C2=C(C)N(c3cccc(C)c3)C(=S)N[C@@H]2c2cccc(C#N)c2)c(OC)c1 839842587 PDDIPHAVXRZZEL-AREMUKBSSA-N 498.608 5.232 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccccc2C(=O)c2ccc(F)cc2)ccc1Cl 900682580 QUASQAMIQNUQLA-UHFFFAOYSA-N 478.907 5.122 30 20 JKED N#C[C@@H](C(=O)CSc1nc2cc(C(F)(F)F)ccc2s1)c1nc(-c2ccccc2)cs1 914530023 YGHLQZGHCHLUEX-AWEZNQCLSA-N 475.542 6.407 30 20 JKED CC(=O)Nc1cccc(N=c2scc(-c3ccc(C#N)cc3)n2Cc2cccc(C(=O)N(C)C)c2)c1 914689589 BBVGODPGGVUCIR-UHFFFAOYSA-N 495.608 5.029 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@@H](C)Cc2cccs2)C1=O 914692394 XJQCMTYLPREXLT-AOMKIAJQSA-N 497.617 5.487 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 914916265 QRACDBKKUNMKPT-UHFFFAOYSA-N 461.587 5.350 30 20 JKED CCOc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)cs2)cc1 914991500 ISEXBZFYNCQSBB-SFHVURJKSA-N 463.559 5.009 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 915019192 FUEUCCKJTDNVBS-IBGZPJMESA-N 462.571 5.069 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 915085233 IZKYJEFQJXCJRJ-GMAHTHKFSA-N 492.406 6.140 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCCCC1 915179769 INIUNOMICGPKJD-MHZLTWQESA-N 497.664 6.478 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccccc1Cl 916209512 LUTKTMIQDJHMNM-FQEVSTJZSA-N 475.998 5.118 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccco3)C2=O)cc1OC 916215573 ISSMCODXCARIQA-QHCPKHFHSA-N 493.585 5.074 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2nc(Cl)c(Cl)cc2Cl)cs1 916318079 LYNDQOVENVINLS-UHFFFAOYSA-N 475.188 6.282 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1 916936115 AAEXRCSJPCCASB-GOSISDBHSA-N 452.869 5.028 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944758 MFDJFHPSNIOATH-INIZCTEOSA-N 462.720 5.582 30 20 JKED N#C[C@H](C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 916975784 FKQPLHPAFBRKLP-QGZVFWFLSA-N 477.394 5.300 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 917021031 RGVZJAQOOMZQBF-HSZRJFAPSA-N 492.000 5.295 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc1 917021403 KUDYOCJIEREBAR-GOSISDBHSA-N 486.380 5.385 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2cccc(O)c2)C=C1 917606643 ALUFLRHAXZIJNP-UHFFFAOYSA-O 477.606 5.463 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)cc2Cl)cc1 917612748 FZLFAOPAGLNAQF-UHFFFAOYSA-O 483.444 6.773 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc3ccccc23)n1 917653807 WJVDEIJVGKKYGD-RUZDIDTESA-N 480.593 5.704 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c1C 917670515 ZDPMTXXSAXXJJC-MZLICYQSSA-N 494.636 5.030 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)cc1 917680374 BXIQJOARAYDBSU-UBFVSLLYSA-N 490.673 5.145 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)Nc1ccc(F)cc1F 917699359 SLRXLPKUDOOTRA-OAQYLSRUSA-N 451.498 5.241 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3sccc3C)C2=O)c1 917702739 ILBPRGYCOLOODT-QFIPXVFZSA-N 488.638 5.706 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C#N 917703575 OXNCBYZYPRJDPH-QRQCRPRQSA-N 494.523 5.021 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1C#N 917707246 TZZZVFUIQOVVAT-LJQANCHMSA-N 485.407 5.081 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918298412 RDYBJYSDDYPIQQ-FQEVSTJZSA-N 452.341 5.246 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(C)n2)c1 918344253 KWGWUJFMSUDNIZ-UHFFFAOYSA-N 490.412 5.008 30 20 JKED COC1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 918679629 CZLUZSUJNDDEAZ-UHFFFAOYSA-N 485.968 5.359 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccc(C)o2)CC3(C)C)n[nH]1 919549211 CWAFMHKWOZGOMN-SOFGYWHQSA-N 476.558 5.126 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 919666668 LSMJPXZHQSHTBG-IBGZPJMESA-N 483.952 5.463 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O 919915383 GXDBYBWHYCMLBZ-UHFFFAOYSA-N 453.498 6.192 30 20 JKED O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919933201 XGHHXZVHIOSUPM-TXEJJXNPSA-N 459.312 5.094 30 20 JKED CCOc1cc(/C=C2\COc3c(F)cc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1 920066999 ZTHXAEADEUQYQB-LICLKQGHSA-N 465.452 5.040 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)c(C)c1 920172787 KQTAPZQWXZJWOT-JOCHJYFZSA-N 491.569 5.064 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)n1 920326872 LBNVXVJSYYSGKT-INIZCTEOSA-N 457.458 5.155 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)OCc1csc(-c2ccc(C(N)=O)cc2)n1 920496226 WZBWGCDSHLXJOB-UHFFFAOYSA-N 471.563 5.289 30 20 JKED C[C@H](Nc1ccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1)c1ccccc1 920809020 CCYMNNRUTYKBTL-FQEVSTJZSA-N 490.629 5.097 30 20 JKED COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)Nc3cccc(OCC#N)c3)cc2c1 920845607 DLPYUEVGXWNOJG-UHFFFAOYSA-N 474.520 5.856 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CCO2)C1 1778890928 SYKZBXUFJGRUNC-WWPJHQMMSA-N 494.582 5.097 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 1779271908 RGMUBVTWRAZPNF-YCVRVPNXSA-N 488.628 5.375 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1786370820 DHFOHSJTNNKDKM-MRXNPFEDSA-N 452.938 5.425 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1786679255 USJXMNWHWPGQOA-UHFFFAOYSA-N 466.006 5.555 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5c(c4)OCO5)cc3)CCC2)c1 1787801691 BCWWYIFEQPNKNR-LJQANCHMSA-N 481.552 5.033 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)cc3)CCC2)c1 1789531062 BHLJEZIMDNRFIJ-DSNGMDLFSA-N 483.568 5.333 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nnc(-c5ccccc5)o4)cc3)CCC2)c1 1789564475 AUACYECXZRWUCE-IBGZPJMESA-N 491.551 5.425 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1 1789577809 KLFRAEAHTBLMMA-AFUMVMLFSA-N 463.584 5.423 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789993660 NJULNQASKTXFCZ-GOSISDBHSA-N 468.557 5.783 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)cc2)CCC1 1790054038 FTYHAZQKCAQUJR-UHFFFAOYSA-N 479.646 5.401 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5c(F)cccc5n4)CCC3)cc2)c1Cl 1790083044 XQONMSSEDWAJJS-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@H]4CC=CCC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1790468122 MYBACORPNKIYIF-REWPJTCUSA-N 479.621 5.042 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCNc3ccc(C)cc3C)CCC2)cc1 1790568450 YXHMBRNZNKPCBU-NRFANRHFSA-N 464.610 5.040 30 20 JKED CCOc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1OC 1790708083 BRNNWOOITBQLBE-UHFFFAOYSA-N 497.595 5.150 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CCC2)cc1 1791302344 HMNHVFILJNXTFT-LJQANCHMSA-N 479.568 5.025 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791581907 GTEQEGXJBSMTCS-JKIUYZKVSA-N 481.637 5.008 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H](C)CCN3C(=O)OCc3ccccc3)CCC2)cc1 1791587642 AQUSHELZUMNYCZ-BWKNWUBXSA-N 489.616 5.134 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)c1 1792125294 VICAKBCXWTWFGC-KRWDZBQOSA-N 492.501 5.789 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)C2 1792573553 KJOPSUIJFALGKY-ACDBMABISA-N 454.014 5.441 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)[nH]c2c(Cl)cccc12 1798419776 JIJHOJIHKWWRCF-ACDBMABISA-N 484.116 5.433 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C3)c1 1800765466 WQJPQWQQQCLAOO-BJWYYQGGSA-N 493.888 5.244 30 20 JKED Cc1nc2cccc(C(=O)N3CCC4(CCCN(C(=O)C#Cc5ccc(Cl)cc5)C4)CC3)c2s1 1805333541 YQSYVZFOHCINFZ-UHFFFAOYSA-N 492.044 5.155 30 20 JKED N#CCC(=O)N1CCCC2(CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)CC2)C1 1809023948 VPAUIVXXLLJHFK-UHFFFAOYSA-N 467.569 5.391 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809213007 PTQHXTRANSKTLP-JXFKEZNVSA-N 489.975 5.481 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)[C@@H]1c1cccnc1 1810500818 XSVKNVHBGHNMDG-SQJMNOBHSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1810503461 QTZGGKBYFBVRFT-NZQKXSOJSA-N 454.014 5.355 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@H](c3ccc(F)cc3)C(C)C)[C@H]2c2cccnc2)c1 1812961957 XTOBJKKJHBOVPI-FQLPYIGMSA-N 498.602 5.160 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@@H]1c1cccnc1 1813222728 KSAWBDJGZMGNEP-CGNDNVFTSA-N 459.634 5.111 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813225171 JNOQLKOVHXJXHR-QPDPMPIHSA-N 483.534 5.013 30 20 JKED CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1813865286 PJRARTXGIXORPX-GVQBMFDGSA-N 480.612 5.222 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(OC)c2)[C@@H]1c1cccnc1 1813917864 FZMLOMGTHWANCY-CVDCTZTESA-N 470.013 5.056 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCN(c3ccccc3)CC2)n[nH]1 1814815059 IVBTXGZABKDAJT-UKILVPOCSA-N 475.637 5.087 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1815207064 OMGBCWGTAOOTQM-DEOSSOPVSA-N 487.604 5.069 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1817742788 YOACGLQQAQVXDO-RUZDIDTESA-N 490.567 5.272 30 20 JKED CCC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)n1cccc1 1818060134 NIILQLAPZUMCKK-FGZHOGPDSA-N 478.984 5.084 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](CC=C)C(=C)C)n[nH]1)NC(=O)OC(C)(C)C 1819311127 NAIWYUYFNCXFTM-ONTIZHBOSA-N 499.656 5.030 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1Cl 1820486107 UPBILCBSLYNEJD-QFIPXVFZSA-N 491.979 5.342 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)[nH]n1 1820977657 TUJSIYFYSLKMNR-KSSFIOAISA-N 480.396 5.132 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c1 1821126305 PGOOXBLHOPUMSQ-QRQCRPRQSA-N 479.943 5.449 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(F)c(OCC)c2F)n[nH]1 1821297110 JFUDTFOXCJMHPW-DNVCBOLYSA-N 490.526 5.300 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3c(Cl)cccc23)n[nH]1 1821392853 KEPUPVZASAROBM-GOSISDBHSA-N 468.989 5.238 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccncc23)n[nH]1)c1ccccc1 1821415643 PIZXPLZVLDLHJG-KCWPFWIISA-N 491.595 5.461 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]n1 1821925245 OQPIBAACFOPWOF-MHECFPHRSA-N 482.588 5.471 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[nH]n1 1821988208 PTKPWNTXFKVRQV-KXBFYZLASA-N 498.496 5.522 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)[nH]n1 1822579842 KKZRNZGEABAXDE-QHCPKHFHSA-N 491.542 5.249 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c1 1823212808 WNQJCJJIVVXLLF-GYRHIBLQSA-N 492.583 5.537 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4cnccc4c3)[nH]n2)c1 1823215486 SUXBNLBXFGYIOH-BVZFJXPGSA-N 478.556 5.205 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)CC1 1823671624 YAMKRCBSUCJLHG-OAQYLSRUSA-N 464.437 5.390 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)[nH]c12 1823682683 ACRRXRLAQWPEGL-MHZLTWQESA-N 482.628 5.214 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1824141570 VWRDJOPBVUMUBY-RUZDIDTESA-N 481.040 5.285 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1824499631 YTTSTSWODCIYET-NRFANRHFSA-N 490.069 5.166 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1826515385 FVTBYICDIJHKEX-WXVAWEFUSA-N 457.618 5.098 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c12 1828549846 PHPAGLKTDCMKED-IDISGSTGSA-N 482.628 5.651 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)CC1 1828599907 OVUDJVJAVNGQEJ-FQEVSTJZSA-N 487.463 5.311 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1828906439 MPOMGVKCBPFTRG-DEOSSOPVSA-N 498.143 5.496 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)cn2)CC1)c1ccccc1 1829030485 OXAQFQHUJCRFNG-WDYNHAJCSA-N 485.672 5.140 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C)n2)CC1)c1ccccc1 1829030502 PMROFUOJWCKGAD-FQLXRVMXSA-N 485.672 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(Br)nc2C)CC1 1829066838 WAFSWBPBAKGIDD-GOSISDBHSA-N 496.515 5.440 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(C)C)no3)CC2)cc1C#N 1829801853 GDORRPRNNVKHKY-XMMPIXPASA-N 492.620 5.004 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1830171822 AFKQZTTVGYTKHU-PUHATCMVSA-N 491.717 5.148 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(O)c2)CC1 1830579916 UQUXUPGEMQRYCU-JOCHJYFZSA-N 489.454 5.156 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830599723 NUGPZHULNCYGHI-QFIPXVFZSA-N 462.581 5.309 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(NC(C)=O)c2)CC1 1830689785 RHUGOJVGDNDKFF-VWLOTQADSA-N 467.654 5.179 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c1 1830992396 NEYIUZRDEJAPMR-FNZWTVRRSA-N 469.585 5.607 30 20 JKED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1831327133 FQVOHODJMVRAJL-XMMPIXPASA-N 484.518 5.364 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 1831447673 ZZDZMKMWZVXBGG-GOSISDBHSA-N 487.360 5.033 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1)C(F)(F)F 1831451303 QNSFTFVKWXWYKX-DEOSSOPVSA-N 485.550 5.409 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831685938 GLAHFJBZYVPGFQ-OGECGYFKSA-N 495.408 5.293 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1832030419 PQVKBMUMOUKWCW-QFIPXVFZSA-N 466.519 5.271 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c(Cl)c1 1832629912 WOYMTCVVDMWJJG-HSZRJFAPSA-N 488.390 5.551 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1832689693 VKPBSSAGNRMPLN-HSZRJFAPSA-N 470.654 5.238 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832720134 ZXTKPGVRJIEASF-HXUWFJFHSA-N 469.840 5.684 30 20 JKED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)CC1 1837071623 HWUMNWPFQYOYSV-UHFFFAOYSA-N 494.657 5.010 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)ccc2C)c1 16020755 FAOUQORCDQMVPV-UHFFFAOYSA-N 485.005 5.599 30 20 JKED CC(C)n1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nc2cc(Cl)ccc2c1=O 16798217 UEFVOZPNICSJPB-GFCCVEGCSA-N 461.374 5.275 30 20 JKED CCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nc2cc(Cl)ccc2c1=O 22062879 OMINOVKCLHWLGI-QGZVFWFLSA-N 469.010 5.196 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3sc(-c4ccco4)nc3-c3ccccc3)CC2)cc1 29569559 GPGQTAUUZWOYIK-UHFFFAOYSA-N 468.582 5.290 30 20 JKED O=C(CCc1ccc(-c2ccccc2F)o1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 33196388 XJMHVXCOUASANI-CHWSQXEVSA-N 451.382 6.044 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)CC2)c1 409945079 DVIOKSFCUCSURN-UHFFFAOYSA-N 459.493 5.189 30 20 JKED Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4cccc(OCc5cccc(C#N)c5)c4)c3)cc21 475248617 UHZKOISKVDYOTP-UHFFFAOYSA-N 475.508 5.044 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 483379084 QPUFKIVLVBFXRE-RUZDIDTESA-N 469.560 5.020 30 20 JKED CCOc1c(OC)cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 495125647 BGLGJDDMOOUONL-OAQYLSRUSA-N 479.964 5.733 30 20 JKED Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N(CCC#N)Cc3ccco3)cc2)c(C)c1C 497466263 XZLOOPMZSNVDJN-UHFFFAOYSA-N 479.602 5.179 30 20 JKED O=C(N[C@@H]1CCc2cc(F)ccc21)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 501564734 OVYIBVUQTAOSSO-QGZVFWFLSA-N 457.349 5.466 30 20 JKED C[C@@H](NC(=O)NCCSCc1ccccc1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 502561369 UZWVGULKQPMHOJ-LJQANCHMSA-N 490.604 5.172 30 20 JKED N#C[C@H](C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2n1C(F)F 502692761 PUAMAFQQDSDMAU-MRXNPFEDSA-N 459.481 5.836 30 20 JKED O=C(NCc1ccc(F)cc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503187372 BZDAIYALOTYWEH-UHFFFAOYSA-N 484.734 5.167 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 505213420 MFGQYLSWUMCMEG-UHFFFAOYSA-N 475.555 5.307 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Br)c(OC(F)F)c(OCC)c1 507740026 HQGVVRZJAQQRDT-SFHVURJKSA-N 453.283 5.202 30 20 JKED COCCOc1c(Cl)cccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513871459 RALJPXWOFRWQLT-UHFFFAOYSA-N 467.928 5.610 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)cc1 516270422 XXEVYLCMWPTXQT-DEOSSOPVSA-N 465.534 5.759 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C2CC2)o1 517465680 BGMRXWVXEPSZOS-RDTXWAMCSA-N 491.535 5.557 30 20 JKED CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)Cc1ccc(OC)cc1 517529796 UYGPIAPVJBZPDS-OAQYLSRUSA-N 457.574 5.825 30 20 JKED C=CCN(C(=O)NCc1ccccc1-c1ccc(Cl)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 518239281 ACHONLVNZKYUOL-IBGZPJMESA-N 472.980 5.442 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cccc2ncccc12 518258898 BBSFKUWIMHVUHM-SFHVURJKSA-N 470.945 5.391 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4S[C@@H](C)CC#N)cc3)o2)cc1 518745933 ZUCYSTVRWUHZON-SFHVURJKSA-N 454.555 6.359 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 519423721 BWFDDUJPEOAXSF-INIZCTEOSA-N 486.018 5.645 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 520135841 REAVRUYLZMMNIG-UHFFFAOYSA-N 474.517 5.466 30 20 JKED O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)Nc1cccc(C#Cc2ccccc2)c1 524027499 HLMMYTGHPZKGCL-UHFFFAOYSA-N 475.552 5.125 30 20 JKED Cc1nnc(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1Cc1ccccc1 524706991 VLSHBDIUVSKJNP-QHCPKHFHSA-N 488.016 5.675 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(CCN(C)C)cc2)nnc1-c1ccc(Cl)cc1Cl 590239177 BLYGKKMFEHWNAV-UHFFFAOYSA-N 490.460 5.273 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 603589398 ALOHTIHDRCZWQJ-FQEVSTJZSA-N 458.389 5.154 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 603614366 YWUQEUNBWZIZBU-UHFFFAOYSA-N 463.607 5.444 30 20 JKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)Nc1ccc(CC#N)cc1 603650866 JCKKMTQHPDDKPM-UHFFFAOYSA-N 469.976 5.982 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 603900495 NKKOFUUBJQAWPC-UHFFFAOYSA-N 460.390 5.095 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)c1 603972084 ORFJRISDNSQNSP-UHFFFAOYSA-N 478.512 5.069 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2)C[C@@H](C)O1 603992521 XZIOKKUJHABFKP-HDICACEKSA-N 457.599 5.247 30 20 JKED N#Cc1c(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)sc2c1CCCCCC2 603996499 TWIRMSNCTKYENO-UHFFFAOYSA-N 455.539 5.332 30 20 JKED CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604154978 ZIDSQVKHOVNNPU-HXUWFJFHSA-N 496.792 5.355 30 20 JKED CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCO[C@H]1c1ccccc1 604520788 QAITYYXYGMFRCY-NLFFAJNJSA-N 451.636 5.317 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cn2)c1 609079173 NOWTUHKPHRQDCU-UHFFFAOYSA-N 494.551 5.963 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 609080388 WNDIUTTXGVMKMX-OAQYLSRUSA-N 497.599 5.195 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)cc2F)c1 609104164 RZHCGVYXDFXUPR-UHFFFAOYSA-N 468.410 5.284 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)CC2)c1 609184537 ABMFBGDFKRRIHO-UHFFFAOYSA-N 465.962 5.209 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 609384633 ZPUBDEMUWLWOLR-OAHLLOKOSA-N 453.545 5.735 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc2scc(-c3ccccc3)c2c1=O 613900522 UFCMFNXTJOAMJZ-MRXNPFEDSA-N 493.576 5.204 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccccc1 662024058 FWFMMOPCBKGLHV-IBGZPJMESA-N 458.591 5.053 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726403271 JOTSLLFOENBVRD-OAQYLSRUSA-N 484.025 5.038 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(Br)cnc3Cl)c2C#N)C1 726498160 JGQPYCYUYUWWLX-SNVBAGLBSA-N 452.805 5.834 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(F)(F)F)cc3)SC2=S)cc1Cl 726627738 UPOJBWXLQLIOKZ-APSNUPSMSA-N 454.882 5.559 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)C4(C)CCOCC4)c3C#N)C(C)(C)C2)o1 726842100 MXRZRNBLRLEOKF-SOFGYWHQSA-N 494.613 5.598 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cs1 728373235 ZZAKKVLZWSPYCB-UHFFFAOYSA-N 484.581 5.772 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccccn2)c1 728424552 DGPNJDXPBOJSPU-XMMPIXPASA-N 483.597 5.237 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)cc1 728779469 IDDOTEJEBHKHEK-NRFANRHFSA-N 452.555 5.042 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CCCCC#N)C2=O)cc1Cl 728779501 JBRLHSCRCYDLHX-NRFANRHFSA-N 479.993 5.174 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)c2)cc1 728834510 ZJJPUYJBGUEIMK-UHFFFAOYSA-N 476.536 5.095 30 20 JKED C[C@@H](CC#N)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 728874057 MEBRAOYCMXDHJW-IBGZPJMESA-N 482.005 5.110 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1)c1nc2ccccc2s1 730684990 DXSZBDWUKAAXCO-OPAMFIHVSA-N 481.346 6.194 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1 730691566 KGIVUHIXSGONJP-QRWLVFNGSA-N 458.898 5.109 30 20 JKED Cc1ccc2c(c1)[C@H](N1C(=O)[C@H](CC(=O)Nc3cnccn3)SC1=Nc1ccc(Cl)cc1)CC2 730717476 NFNJSMKRSSEJPA-RTWAWAEBSA-N 492.004 5.086 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccc(I)o1 730994261 IAEVCXJZAVMCDI-DAXSKMNVSA-N 492.260 5.561 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 731059587 GBTMCUQIIBEMQP-GFCCVEGCSA-N 487.792 5.459 30 20 JKED Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1 731068012 OGZKFLQVOJSQTN-INIZCTEOSA-N 451.573 5.308 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2ccccn2)cc1 731309026 RVHIIQDQMOTKFX-DEOSSOPVSA-N 488.613 5.114 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@@H](C)c2cccs2)c1 731312959 UTGZEECRWHKWMK-IRRWFJRRSA-N 495.626 5.052 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c2ccccc21 731377216 PLCYIXMGWOHFOC-UHFFFAOYSA-N 475.504 5.917 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731400886 XDGVRVDTOGEQEL-SQJMNOBHSA-N 490.604 5.994 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 731410844 NXSFCIZSGWDUQG-IBGZPJMESA-N 497.532 5.335 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744936619 UYAJPXAHQXCGHC-LBPRGKRZSA-N 494.787 6.049 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccc(C(=O)O)cc1 746697910 PRIOPWHTCOTVCL-HSZRJFAPSA-N 498.564 5.027 30 20 JKED CC(=O)CCc1ccc(OCCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 747022402 YBUNVIBDPVGZGH-SFHVURJKSA-N 460.477 5.482 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1ccc(Cl)cc1 748583924 MAEMEMPAUXJCDN-UUILKARUSA-N 463.917 5.780 30 20 JKED CC(C)COC(=O)N1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 750687322 KIPIPCJKJSSPBT-QFIPXVFZSA-N 468.985 5.328 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2-c2ccccc2)no1 750910549 MDLFGPUVGAFOKN-VWLOTQADSA-N 496.592 5.811 30 20 JKED CCOc1cc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 750917347 SLHQEXMXXNOPTE-GYZOOYGHSA-N 475.557 5.468 30 20 JKED CC(=O)N(c1nc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cs1)c1ccc(F)cc1F 818245876 SZFSGBYLHHLBRA-GESPRJTDSA-N 481.480 5.844 30 20 JKED C=C(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccn2)SC1=S 818332614 NHLHHYAWSRGGHV-ZDLGFXPLSA-N 461.406 5.200 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 837440479 XUPAVFFIOOZTNM-SBUREZEXSA-N 494.567 5.698 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837838615 WVSXVFMACZRDSE-WMZHIEFXSA-N 458.587 5.420 30 20 JKED CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)ccn1 856658885 FZRGDSYVAHAYRE-DEOSSOPVSA-N 486.641 5.238 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)N(C)Cc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC 914449747 IUVJTHAVSPAQHW-VAVYLYDRSA-N 497.595 5.027 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 914547354 NFWRUWZCJNDJKW-NTKDMRAZSA-N 472.614 5.043 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1C 916208056 RZTLEUHJAGWIBX-FQEVSTJZSA-N 493.551 5.319 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5c(Cl)cc(Cl)cc54)c23)cc1 916357177 CXFQJBVMAUBTEK-UHFFFAOYSA-N 470.341 5.442 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916898743 DWVFAGZTYGJSBB-RUZDIDTESA-N 466.537 6.098 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 916902794 JVWZUTZOIPPRPI-LJQANCHMSA-N 499.398 5.311 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916912425 ZECXUTWDYMGLTB-QHCPKHFHSA-N 497.576 5.713 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)n2)cc1 916974614 NXDXJCOGRGYXRN-ICSRJNTNSA-N 481.524 5.201 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(F)(F)F)c2)s1 917657225 XZNMBZDNPZRWHX-GOSISDBHSA-N 481.565 5.130 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccsc3)C2=O)cc1 917673310 BBIQLHMBTOIILC-OAQYLSRUSA-N 463.584 5.111 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1F 917678584 ZCATZUKNKKVQRN-NRFANRHFSA-N 496.495 5.034 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccc(C)s1 917695200 VZXWIRYDNNWHKO-JOCHJYFZSA-N 495.626 5.234 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917703458 MOLWHLICHXGTKL-SBUREZEXSA-N 490.560 5.272 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 918430630 HZQHJQXAVAFHDS-GOSISDBHSA-N 476.429 5.221 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2csc(COc3ccc(Cl)cc3)n2)c1 918710803 FHISLJWIUUJXCA-UHFFFAOYSA-N 486.022 5.334 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21 919252276 STLSLQUQJODWDS-LJQANCHMSA-N 474.586 5.107 30 20 JKED CC(C)(C#N)C(=O)OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 919350651 LRLYZVYOOQAPPQ-UHFFFAOYSA-N 498.402 5.199 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccc(C)o2)CC3(C)C)n(C)n1 919587317 KRWIITJHGIUMSS-VQHVLOKHSA-N 490.585 5.137 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)cc1 919911417 KJVINEANBXXIOL-JOCHJYFZSA-N 453.970 5.230 30 20 JKED CCCOc1ccc2c(c1)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)CO2 920069642 XJUQNCCOHJYOSI-DHDCSXOGSA-N 470.497 5.553 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(OC)c1OCc1ccccc1 920105761 LQWCMLRTKQVOKA-OAQYLSRUSA-N 468.509 5.278 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804043 JFCFXXQZZQMULO-QGZVFWFLSA-N 495.580 5.761 30 20 JKED N#C[C@H](C(=O)CCCOc1ccccc1Br)c1nc(-c2c(F)cccc2F)cs1 920806502 MHFOHPVGHWZHHW-CYBMUJFWSA-N 477.330 5.886 30 20 JKED COc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)ccc1OCc1ccc(Br)cc1 920832790 ZQPPUTRSCJMYLM-XFFZJAGNSA-N 455.352 5.283 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccccc3CSc3ccccc3)CCO2)C1 1778888213 ZBRBIKQMRCGILZ-SVEHJYQDSA-N 490.669 5.191 30 20 JKED COc1ncc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1785782284 NFUILXVQFVOMIX-UHFFFAOYSA-N 495.366 5.330 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc3)CCC2)cc1 1785790925 STZMCSZRSSUUME-UHFFFAOYSA-N 479.367 5.516 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)cc2)CCC1 1786334242 YZNXNXGETFJCJX-FGZHOGPDSA-N 454.517 5.144 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)o3)cc2)CCC1 1786493903 LAXNGVVDEXTIPH-JOCHJYFZSA-N 493.604 5.033 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccoc3C)cc2)CCC1)NC(=O)OC(C)(C)C 1787366032 GYEBEZNXJVTGCG-NRFANRHFSA-N 481.593 5.195 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4F)cc3)CCC2)cc(C(F)(F)F)c1 1788354922 GENPIJIRAAYFIO-UHFFFAOYSA-N 482.437 5.173 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1)c1ccc(O)cc1 1788431380 ARNJGKNUIOZPDO-NRFANRHFSA-N 492.579 5.213 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)n3ccnc3C)CCC2)cc1)c1ccccc1 1789601512 VJBMUOFGPSQRBI-QFQXNSOFSA-N 468.601 5.084 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790257301 TVNLOMXBXJOOAH-UHFFFAOYSA-N 465.509 5.380 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ccc3F)CCC2)cc1 1790564025 PNXUFXWOPFZTHL-HNNXBMFYSA-N 490.373 5.137 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5cc[nH]n5)cc4)cc3)CCC2)c1 1790739677 QVJCJWBUOCZUOE-UHFFFAOYSA-N 491.551 5.018 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4sccc4c3O)cc2)CCC1 1790931022 YBZAONPYJMXVNJ-UHFFFAOYSA-N 464.587 5.337 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1 1791106942 WUUZJAZQKRAUHX-FQEVSTJZSA-N 467.569 5.521 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4C[C@H](F)[C@H](C4)N3C(=O)OC(C)(C)C)CCC2)cc1 1791252136 IMLJXLQENIVPQS-MHYJACLRSA-N 499.627 5.069 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791518089 VUORUQWRHSKLBN-HXUWFJFHSA-N 493.595 5.271 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4Cl)CCC3)cc2)c1 1792124747 GEZKOBONOXMWIK-QGZVFWFLSA-N 458.949 5.424 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c(C)n1 1792125250 TZEMLGSMGJZJJC-SFHVURJKSA-N 452.558 5.387 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Br)cc2)CCCC1)C(F)(F)F 1797848140 YFGPGKNCMINTIM-REPLKXPHSA-N 499.371 5.018 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3nc(-c4ccccc4)ccc13)C2 1798333879 IRFYKYWDJDERME-BJESRGMDSA-N 468.601 5.250 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 1799295587 IVJSJYMDVSQEHO-RSPOEFSDSA-N 466.025 5.231 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(F)CCC1)C2 1800175865 UJPGAJVMIMFEGS-LRSLUSHPSA-N 495.680 5.161 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1F)c1ccoc1C(F)(F)F 1800410164 AIVLNROXWJASCH-ZSBIGDGJSA-N 478.364 5.022 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Br)cccc3c1)C2 1801638093 DLOHKBROZNPWGC-GEALJGNFSA-N 455.396 5.066 30 20 JKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccc(OCc2ccccc2)cc1)C(C)C 1802082615 PHBSEBYDUJSDHI-UUROJUAVSA-N 486.656 5.447 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@@H]1c1cccnc1 1802493122 UVCYLPUBVBOJSH-ZEQKJWHPSA-N 486.616 5.357 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)[C@H]1c1cccnc1 1802495971 HMFODONSZAQTTN-ATILKMQGSA-N 488.676 5.144 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1802496383 QCTWNDCEMZKWFT-IRLDBZIGSA-N 473.539 5.412 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3cnccc3C(F)(F)F)C2)CC1 1806891164 PRVPWDYMTMGBJW-OAQYLSRUSA-N 477.571 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)C3)[C@@H]1c1cccnc1 1808152867 GHCXTXIGIQDLIT-VWNXMTODSA-N 475.633 5.107 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1808595201 COBRVNMNJSGPAN-SQHAQQRYSA-N 482.628 5.456 30 20 JKED O=C(/C=C/C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1)c1cccs1 1808974416 HBQHONRZMDXAMG-RLGOFNAISA-N 495.604 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1809188385 DOVFJEIBYSEBBQ-CPJSRVTESA-N 477.008 5.304 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CC2)C1 1809512276 ZRPPQDUWWYNGJZ-VWLOTQADSA-N 465.544 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1810171900 LBXIGVUSXZLZGA-WWPJHQMMSA-N 494.639 5.540 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(F)c2)[C@H]1c1cccnc1)c1ccccc1 1810444088 OOFDPRHKDHPTIT-PBWSGDRGSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1810494058 CKHRUDSGIAFVTJ-LSYYVWMOSA-N 496.655 5.764 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1810498936 QZIAEMPRLFGOOV-NTKDMRAZSA-N 479.621 5.747 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)C2)CC1 1810728901 VJPYKLUZHYAWPU-FQEVSTJZSA-N 468.041 5.743 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1811206769 KOJCXSLXHDPZKW-YIOBJHAYSA-N 480.612 5.232 30 20 JKED CC1(C)CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#Cc4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1811251397 JUPRDWOYDAGLLY-PXJZQJOASA-N 491.635 5.237 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3c(Cl)cccc3Cl)[C@H]2c2cccnc2)cc1 1811361589 LGSDHCAKNQPYHA-YKSBVNFPSA-N 493.394 5.088 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)[C@@H]2c2cccnc2)cc1 1811889641 QKJAFHIQYJITHI-FDDCHVKYSA-N 497.357 5.033 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)cc1 1814377432 LDTHQSSHWGSWRF-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(OC)cc2)n[nH]1 1816799366 MLKARRMFVOHWEQ-QFIPXVFZSA-N 452.599 5.036 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3nc(C)sc23)n[nH]1 1818534994 SIBAJXCCUZWYDG-NRFANRHFSA-N 463.607 5.402 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/c3cc4ccccc4o3)sc2C1 1818635438 NIKQOBAYQRRQBM-CDBZTZBOSA-N 461.587 5.283 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)ccc2n1 1818672592 DPLPYIWQMVYQNA-SANMLTNESA-N 492.583 5.077 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2OCc2ccccc2)n[nH]1 1820237363 IHNMAFCKEVNHCP-QFIPXVFZSA-N 478.980 5.524 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1820971993 DINCWEZYHRYKAI-AUSIDOKSSA-N 489.576 5.309 30 20 JKED Cc1nscc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n[nH]1 1821151760 RXHXISXFIZNDMB-RUZDIDTESA-N 495.608 5.194 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)sc2c1 1821180987 PEHNBYVANDKQKK-NRFANRHFSA-N 484.585 5.014 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)cc(C(F)(F)F)c1 1821311547 ZCOMKBPCSACGLQ-OQYZPLRDSA-N 499.537 5.432 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1)C(F)(F)F 1821992775 JAGGWIFWQWSBHO-AWEZNQCLSA-N 461.271 5.141 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)CCCCC)n[nH]1 1822007346 TUNOWBKFFRTWKW-ZVDOUQERSA-N 489.661 5.088 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)[nH]n1 1822388440 CVPBMKWOFGXUAP-JOCHJYFZSA-N 493.405 5.435 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c(Cl)ccc(OC)c2F)n[nH]1 1822489194 RJXMPQWIOHRNSR-FQEVSTJZSA-N 488.991 5.214 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 1823285154 CTCLBLIHYCTNNJ-QHCPKHFHSA-N 460.603 5.302 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)[nH]n1 1823422763 MKOZVSKGCBTRHV-VWLOTQADSA-N 467.573 5.257 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1)c1ccccc1 1823806709 AXOPFPPTHREFHD-YTMVLYRLSA-N 471.645 5.160 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1823812248 KZKDFNZKAYYLHR-WEPTWERGSA-N 487.669 5.335 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nn(CC)c3ccccc23)CC1 1824140995 CZSCYDCVHXJVGJ-XMMPIXPASA-N 462.638 5.058 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1)c1ccccc1 1824236378 SDEKSYQOVLIENN-XRKRLSELSA-N 471.645 5.160 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824450369 QCXFFKXALFUGRF-QFIPXVFZSA-N 450.545 5.224 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2CC)CC1)c1ccccc1 1825515719 LLDNPMIITVJBHU-NAKRPHOHSA-N 471.645 5.075 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)sc2c1 1826201721 ACSSTFUFIKYZHD-HSZRJFAPSA-N 472.614 5.024 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(F)cc(F)c3)CC2)c1 1827181491 CXMUBPIFOOKDBF-NIYFSFCBSA-N 479.571 5.068 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)CC1 1827728331 ZWNMRUHQAGXEHA-QHCPKHFHSA-N 494.705 5.739 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)cc2c1 1828119275 ZROBQGATCVVYGY-MUUNZHRXSA-N 482.628 5.214 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828423107 YTRRZIXUINMMAU-ZFGGDYGUSA-N 454.577 5.292 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(CC)CCC2)CC1 1828476126 WCTMZOGJKLYIHW-XZOQPEGZSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1828830073 KHCNYVNTTCAYKX-FGZHOGPDSA-N 485.650 5.075 30 20 JKED CSc1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829482751 FBOWROKFOOXYFH-QHCPKHFHSA-N 485.770 5.088 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)c3ccccc3)CC2)c1Cl 1829687782 HBIPCARGSRRVBV-ISKFKSNPSA-N 467.972 5.156 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829783968 IQMGCDYOFQBEHG-ILBGXUMGSA-N 483.653 5.075 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)cc1 1829898666 BIPPEBUMKKBOCL-QHCPKHFHSA-N 467.972 5.092 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1)C(F)(F)F 1829938774 COJHYNGRSPYPLF-GOSISDBHSA-N 462.434 5.057 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)c2O1 1830014717 CNYDEIPDVNSZCT-AREMUKBSSA-N 485.628 5.209 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830529671 PLTBTFAPCRUSAU-JOCHJYFZSA-N 484.534 5.061 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c(F)c1 1830716818 LPBDVLYULJIHRF-AREMUKBSSA-N 495.570 5.171 30 20 JKED COc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830721552 PNJXOJCIPGVUMJ-AREMUKBSSA-N 494.035 5.086 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)CC2)cc1 1830877900 CXYVKIYRPZVYIK-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830980394 NUTWEYAWDSHMAD-IGKIAQTJSA-N 499.655 6.430 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831141713 UEWHVLFXTLQECT-IBGZPJMESA-N 467.626 5.321 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 1831377434 GIAKZLLXPOWNID-UPVQGACJSA-N 491.717 5.294 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCC2)CC1)c1ccc(O)cc1 1831921272 NKFXDGUCDNBPKN-AHKZPQOWSA-N 464.650 5.089 30 20 JKED C[C@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC=CCC1 1832406243 BAHQYVGNXXODGR-NVQXNPDNSA-N 454.014 5.191 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 1832629100 IWUUVZYGZVVDQX-AVRWGWEMSA-N 481.999 5.653 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1832630158 GKEQSBWRNYKPTF-ZBLYNMNXSA-N 489.641 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CC1 1836614511 UVSGCZUWMOBQLN-HHHXNRCGSA-N 478.677 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)C1 1843218982 JHSOWZYBAMVIDO-UHFFFAOYSA-N 456.590 5.039 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)C2)c(Cl)c1 1843459553 ADMUCGMILLICSL-UHFFFAOYSA-N 480.351 5.256 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)cc2)c1 3598513 ANYAVZCFTYFMTL-UHFFFAOYSA-N 474.941 5.121 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 11162938 SZDHBWGSYQKVSX-UHFFFAOYSA-O 492.665 5.671 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccs2)nc2scc(-c3cccs3)c2c1=O 11381391 TXFQEENUFITZNY-CYBMUJFWSA-N 473.670 5.404 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nc2sc3c(c2c1=O)CCCC3 17652928 FYPQDLYCFGXZAO-HNNXBMFYSA-N 464.616 5.735 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)nc2sc3c(c2c1=O)CCCCC3 21732054 UIUGOCSKJIUTJV-HNNXBMFYSA-N 499.658 5.049 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccccc1 21754838 SLIXRPMNKFGMIL-LJQANCHMSA-N 456.571 6.043 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(OC)cc1 22213464 UISNRUZHOWJPQT-IBGZPJMESA-N 470.598 5.926 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731179 ZBMHGKSVROIMQL-UHFFFAOYSA-O 495.668 6.550 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1ccccc1Br 22799670 FZWQWZPSFJAHMK-UHFFFAOYSA-O 464.767 5.580 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)NCCc1ccc(OC)cc1 22800626 QMTVPERJDGRCEI-UHFFFAOYSA-O 488.460 5.623 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23604632 QRKFQXPCMYGTIJ-UHFFFAOYSA-O 483.455 5.611 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1-c1ccccc1 24014427 WKDDEUBCLYCLKB-LJQANCHMSA-N 487.585 5.272 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nc(C)c(C)n1C1CCCCC1 24423825 UBTMQTHLTPHVJC-UHFFFAOYSA-N 457.644 5.062 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c1 25242999 WKOPFMDVEYMWOT-QHCPKHFHSA-N 495.044 5.569 30 20 JKED C=CCn1c(SCc2nc(=O)c3sccc3[nH]2)nc2sc(-c3ccccc3)c(C)c2c1=O 25638496 OYWPBXCGLKQBCP-UHFFFAOYSA-N 478.624 5.210 30 20 JKED CCn1c(SCC(=O)N[C@@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 26115090 LLTHPUAUYDBFJE-ZDUSSCGKSA-N 460.390 5.113 30 20 JKED CCOc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCC[C@H](C)C4)cs3)s2)cc1 28931724 CEMNNESIOKEJCY-HNNXBMFYSA-N 456.637 5.842 30 20 JKED CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccccc3-c3ccccc3C#N)sc2C1 71833969 RJXKQPVKDXHPDK-UHFFFAOYSA-N 460.559 5.227 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)nc(O)c2C#N)cc1 71858354 HFVSZIYOGNCXEG-LBPRGKRZSA-N 499.474 5.652 30 20 JKED CCc1c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)oc2ccc(C)cc12 206338768 PQQYSEVNAMECRY-CLFYSBASSA-N 466.509 6.619 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(Nc2ccccc2F)s1)c1nc(-c2ccccc2)cs1 247747581 QQAJDPMMLOLZGN-AWEZNQCLSA-N 467.576 5.513 30 20 JKED Cc1c(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cccc1C(=O)N1CCc2sccc2C1 477232324 IYVHXAMVQBKNIS-RUZDIDTESA-N 473.598 5.169 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1 492041658 LKRIVQYJPOLCLQ-UHFFFAOYSA-N 478.140 5.126 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)o2)cc1 501139939 CDVMCTQUOKJFNR-UHFFFAOYSA-N 453.517 6.135 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1C 501597079 ZKYFDOXKHQUGBZ-UHFFFAOYSA-N 471.586 5.242 30 20 JKED C=CCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc(C(=O)OCC)cs1 501942601 LOTHFJGNYLZNQA-UHFFFAOYSA-N 477.464 5.359 30 20 JKED Cc1nc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)sc1SCC#N 504821276 XBIIIPURNSRYRU-UHFFFAOYSA-N 473.967 5.493 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCSc3ccc(Br)cc3)s2)cc1 506236271 ZIDDDLJTFVOAJA-UHFFFAOYSA-N 491.461 5.585 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 507917134 HQMVZHWUNFSXCO-UHFFFAOYSA-N 453.523 5.594 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 507988681 HBPSKPVSNFYAPB-HXUWFJFHSA-N 484.556 5.918 30 20 JKED CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 509549184 MSSCKXNVVXATLT-JOCHJYFZSA-N 469.427 5.551 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1Cl 510005497 NHKDQKXPSITJJK-XMMPIXPASA-N 472.976 5.878 30 20 JKED O=C(NCc1ccccc1OC(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1 510417237 ZKUOHSWPRRSGSF-UHFFFAOYSA-N 454.342 5.324 30 20 JKED N#CCCCCNC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 510570006 LGJBFTLJBPCPGP-UHFFFAOYSA-N 457.418 6.130 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)cc1 514030394 FRFDOZVRIXWFEP-UHFFFAOYSA-N 494.393 5.073 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccco1 514590552 BIIVZGNAUKBJAF-XODKDNOYSA-N 461.591 5.184 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)N(C)c1ccccc1)C(C)C 514773011 BPKWERKHURBRRL-JOCHJYFZSA-N 471.026 5.476 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)nnc1-c1ccc(Cl)cc1 514955187 IKRSWFBYZGWQNE-MRXNPFEDSA-N 482.009 5.031 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C[C@@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)s2)cc1 514978874 RLZLFALRJLSCNI-XMMPIXPASA-N 497.580 5.136 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 515043676 PUJMWKYCOCSTOR-UHFFFAOYSA-N 488.447 5.712 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cc(Br)cs2)nnc1-c1ccc(Cl)cc1 515297625 DFVRAAMPEZHVIL-UHFFFAOYSA-N 497.871 5.359 30 20 JKED C[C@H](SCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc2ccccc2[nH]1 515447106 QPCWWAIXDHITDM-INIZCTEOSA-N 455.543 5.120 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1 516390536 FVDUWZDNAJRWLI-UHFFFAOYSA-N 498.652 5.917 30 20 JKED Cc1cc(Sc2ncccn2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 517887018 WWLLWEKVRPIEOH-UHFFFAOYSA-N 483.572 6.181 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)n2)cc1 518913643 PEGRQAOPWBFKFI-HXUWFJFHSA-N 482.525 5.294 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1C 519947345 RNXUAAGZFJIWNF-UHFFFAOYSA-N 484.387 5.098 30 20 JKED Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)n2)cc1 520195808 MLSILDLMXUSPOV-WOJBJXKFSA-N 490.633 5.350 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 520597835 HHDVOGQYABLJFE-SANMLTNESA-N 457.530 5.572 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccc2ncccc2c1 520942954 VTSCAYXPGUUBGZ-MRXNPFEDSA-N 472.480 5.016 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc(Cl)cc3F)s2)c(C(F)(F)F)c1 524298125 RWCQTPPSPMRYDY-UHFFFAOYSA-N 475.876 5.218 30 20 JKED C=CCn1c(SCC(=O)Nc2scnc2-c2ccccc2)nnc1-c1ccc(Cl)cc1 524375957 FFXRCTJOFXTZRO-UHFFFAOYSA-N 468.007 5.639 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CC=C(c2ccc(F)cc2)CC1 524563633 YWDLXEXFCHDYBP-UHFFFAOYSA-N 477.483 5.105 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 553282225 VEINSWICBNYMLF-MBSDFSHPSA-N 474.586 5.611 30 20 JKED C=C[C@@H](CC(=O)N1CC(CN2CC(C)(C)c3ccc(-c4cnn(C)c4)cc32)C1)c1ccccc1 568654558 NRHVGHZNXRZILP-QFIPXVFZSA-N 454.618 5.003 30 20 JKED Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1OCC(F)(F)F 590145033 IPTVOTONECXPOQ-PHIMTYICSA-N 452.317 5.531 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 603968669 ICFREFWVHPPMPW-UHFFFAOYSA-N 495.988 6.954 30 20 JKED N#Cc1c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)sc2c1-c1ccccc1CC2 603991830 SIHLHELOECCEAJ-UHFFFAOYSA-N 466.566 5.074 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCSc2ccccc2Br)cc1 604003601 OEMGNAYTODOLBG-UHFFFAOYSA-N 481.415 6.215 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 608796788 AUUWUGLODJAYKE-OFNKIYASSA-N 479.458 5.289 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609080585 JSVUGHIXYRQUFC-IBGZPJMESA-N 471.561 5.226 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2cccs2)cc1 609085572 SYLULIKPROYLTB-OAQYLSRUSA-N 469.513 5.018 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(COCc4ccco4)c3)cc2F)c1 609123910 WFYSZDHVYARYOD-UHFFFAOYSA-N 485.515 5.908 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3SCCC#N)c12 609375456 UXFQFGYAGWJKNO-UHFFFAOYSA-N 454.559 5.259 30 20 JKED CC(C)(C)n1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(-c2ccccc2Cl)n1 609379175 MIHSLDWGKBWGOX-QHCPKHFHSA-N 479.987 5.120 30 20 JKED C=CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 609434152 YFDCAXWFPZTYPT-DFBJGRDBSA-N 497.990 5.752 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 609439674 VGAIVQKBLKCRBX-RBUKOAKNSA-N 459.571 5.689 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(CN4C(=O)c5ccccc5C4=O)c3)n2)cc1 612941773 SXHLRCHRQQZAFA-QHCPKHFHSA-N 477.545 5.405 30 20 JKED CC(C)(C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)(F)F 613319642 KPIPBWHTXQPDTM-CYBMUJFWSA-N 452.889 5.924 30 20 JKED Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1C(F)(F)F 613407539 YMAQOTQAASIFPR-CYBMUJFWSA-N 460.868 5.953 30 20 JKED O=C(CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](c1ccc(F)cc1)c1cccs1 618450383 MFLRKAFKIXGMOZ-QWQRMKEZSA-N 468.438 5.156 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618552317 OKHZVXYXNKOLHF-OKILXGFUSA-N 465.369 5.285 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccccn2)c1 619205573 ABYDXPHPTMHJQU-DEOSSOPVSA-N 482.005 5.094 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281352 CAWLXWZSNIUTHH-YLJYHZDGSA-N 486.380 5.724 30 20 JKED CC(=NNc1ncnc2scc(-c3ccc(C)cc3)c12)c1ccc(O)c(CN2CCOCC2)c1 725828929 NTGHZTBISDGZIJ-UHFFFAOYSA-N 473.602 5.041 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 726392956 KFVKOVMWHKBMCA-HXOBKFHXSA-N 479.577 5.364 30 20 JKED COc1cccc([C@@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)c2c[nH]c3ccccc23)c1OC 726440644 ZMCMPDGGXBJELS-OAQYLSRUSA-N 491.016 5.829 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2)c1C 727252468 DOVFQIWNLAVQOA-QFIPXVFZSA-N 496.036 5.334 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(OCC#N)cc1 727650256 IHZSYPVTSCBBJH-RUZDIDTESA-N 498.608 5.312 30 20 JKED COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 727984000 HOJDHLWBNGJSPN-UHFFFAOYSA-N 467.481 5.243 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728780455 UFMQIPZXYCVMSB-QFIPXVFZSA-N 479.005 5.284 30 20 JKED COc1ccccc1-c1nn(CN(CCC#N)CC2CC2)c(=S)n1-c1ccc(Cl)cc1 728904471 ICUBAQBUBVEMMK-UHFFFAOYSA-N 453.999 5.315 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1scnc1C 729146816 YZBDJJYDPWRAFC-JOCHJYFZSA-N 492.670 5.791 30 20 JKED Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 729237513 OOLFOSBWTKMQJP-RTBURBONSA-N 486.597 5.335 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCCC3)C2=O)c1 730534037 JMTILGGYNYYMSV-QFIPXVFZSA-N 485.581 5.054 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(C)c(F)c1 730536114 LXOSYDLFTKGTMP-OAQYLSRUSA-N 455.555 5.069 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3c(CC)cccc3CC)c3c2CCC3)cc1 730921081 VCQBDSBQUZBFDH-QHCPKHFHSA-N 454.574 5.009 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCCC1 731075517 DJCZBKOBNZIEPH-GOSISDBHSA-N 454.567 5.461 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)cc1 731305784 PGPQWZPJHWEXFS-HXUWFJFHSA-N 465.600 5.231 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(Cl)s2)c1 731308864 RHGCWXWOCCYFCF-IBGZPJMESA-N 486.018 5.576 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1cccc(O)c1 731310773 PODQZOIPBSVQJY-HSZRJFAPSA-N 488.544 5.173 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 732037889 FLDPRBDNBKMDLB-NRFANRHFSA-N 451.479 5.062 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 743524099 GMYRKAITPHKJQK-QRQCRPRQSA-N 498.530 5.529 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C2/S/C(=N/C3CCCCC3)NC2=O)cs1 746009679 QAEVHJYUIZMGIV-WOJGMQOQSA-N 494.564 5.739 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cscn3)C2=O)cc1 747600759 CXLJKEDRRXALQC-JOCHJYFZSA-N 492.626 5.123 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)c1C 747601199 UIXOWFKMASWWEM-FQEVSTJZSA-N 468.579 5.060 30 20 JKED Cn1c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1-c1ccccc1Br 751347517 DYIDGGSSGPHJQJ-UHFFFAOYSA-N 476.296 5.531 30 20 JKED C=CCOc1c(Br)cc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1OC 812397018 HZOMBTQUEVSTOB-UHFFFAOYSA-N 479.787 5.105 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 837539881 QNLRLFIOSBVVQK-VFNWGFHPSA-N 482.968 5.596 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)[C@@H]3CCCO3)c2C#N)C(C)(C)C1 848943122 WQKRCXZZSUIRCT-GHOSXJJBSA-N 482.627 5.429 30 20 JKED N#Cc1cccc(OCc2cccc(-c3nc([C@@H]4CCC(=O)N(CC5CCCC5)C4)no3)c2)c1 856575446 COKDGQTZVMOXLK-HSZRJFAPSA-N 456.546 5.083 30 20 JKED CC(C)(C)OC(=O)N1CCOc2ccc(NCc3cc(C#N)ccc3Br)cc2C1 864039804 CUTUQTXRSOFGMG-UHFFFAOYSA-N 458.356 5.062 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)cc1 904717965 XZHMRIONHFVYMU-UHFFFAOYSA-N 457.534 5.687 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2sccc2C#N)c(Cl)cc1Cl 908180003 GEZMXXIIRFYWTJ-UHFFFAOYSA-N 480.398 5.394 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 914538967 ZOBGYJOMEWYJIG-IBVKSMDESA-N 494.620 5.634 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)Cc1cccs1 914689906 CVVSKJSTBCCQFN-AOMKIAJQSA-N 497.617 5.487 30 20 JKED N#C[C@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccccc2n1C(F)F 915105007 YCCZPJAHHYKKGB-IFMALSPDSA-N 488.494 5.145 30 20 JKED O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1ccc(OC(F)F)cc1OC(F)F 916140122 BIDXZZALIZQVLN-YVMONPNESA-N 476.426 5.170 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCc3ccccn3)C2=O)c1 916205792 LQVQHYWUWVHTEP-HSZRJFAPSA-N 476.577 5.041 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc(SC(F)F)cc1 916217626 RUVFMTOXKORPDO-SFHVURJKSA-N 477.558 5.156 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 916663870 UCNGWXLPNMKDSC-UHFFFAOYSA-N 464.334 5.077 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCCC(C)C)c(OC)c1 916902542 ZORPPYJWRZDDFI-KRWDZBQOSA-N 458.942 5.052 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2ccccc2)cc1 916902883 LMUVODQVSPLCEO-HXUWFJFHSA-N 464.974 5.911 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])n1 916908321 HEBSXVRDBIJCLN-CYBMUJFWSA-N 472.935 5.126 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 916928672 QRWBZEFJGLLYGG-CYBMUJFWSA-N 481.748 5.136 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1 916955351 POUMJCNQGNULKB-YWZLYKJASA-N 482.009 5.182 30 20 JKED CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917045905 CJTUZPHTQFVYGH-QKKGBWIVSA-N 470.038 5.483 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2[C@H](C)c2ccccc2)cc1 917254008 DHMPIVUYMHOMBV-DHIUTWEWSA-N 495.652 6.290 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1cccc(Cl)c1Cl 917634801 AUDUPPAGMLVUFP-CYBMUJFWSA-N 462.280 5.260 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc3ccccc23)n1 917652433 ANPQQDBTVOXYGQ-XMMPIXPASA-N 499.571 5.238 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(Cl)c1 917679841 UZJXMEAZUNYKLL-LJQANCHMSA-N 480.417 5.299 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccnc(C)n2)cc1 917682974 OEROQBKVKDHDSD-JOCHJYFZSA-N 494.020 5.216 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SC[C@@H](O)c1ccccc1C(F)(F)F 918747404 BBELDZCQAXUJBT-QGZVFWFLSA-N 453.461 5.027 30 20 JKED Cc1c(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cnn1-c1cccc(C(F)(F)F)c1 918940810 OSBYTLQUHLDQMD-UHFFFAOYSA-N 480.446 5.108 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)c1 920174878 XCTKSVQMCAYWGR-JOCHJYFZSA-N 491.569 5.064 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3c(C)noc3C)C2=O)cc1 920352024 JAKDDQIJKRBRCW-RUZDIDTESA-N 498.608 5.914 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(F)c(F)c2)C1=O 920355824 PPGGLJRKTFJJPY-QHCPKHFHSA-N 495.551 5.442 30 20 JKED COc1ccc(OCc2nc(C=Nn3c(S)nnc3COc3ccc(C(C)C)cc3)cs2)cc1 920368778 DZFBZGBQBZAUQQ-UHFFFAOYSA-N 495.630 5.196 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 920962196 RLEZVLCFYQTGBE-SFHVURJKSA-N 457.555 5.298 30 20 JKED CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccoc1C 1515266058 BHNBJURHNBLAFG-GOSISDBHSA-N 478.597 5.000 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Cl)cc3OC)CCC2)cc1 1786367424 NUTSQTCXMJGRDS-UHFFFAOYSA-N 470.997 5.008 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)CCC2)cc1 1786393848 MRZGWLFXMTWACU-IBGZPJMESA-N 490.551 5.284 30 20 JKED CC(C)c1nc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)co1 1787024923 BXWCNQVMZKENBH-UHFFFAOYSA-N 456.546 5.050 30 20 JKED Cc1cnc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)s1 1787216338 JDDYWDFJXQIYAG-UHFFFAOYSA-N 474.586 5.172 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccccc3)cc2)CCC1)NC(=O)OC(C)(C)C 1787745735 KBUVKZMGXHWCLL-XMMPIXPASA-N 491.632 5.223 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788803545 HZXYTBJYMMTKDH-XMMPIXPASA-N 469.585 5.069 30 20 JKED COc1ccc2c(c1)CC[C@@H](CC(=O)Nc1ccc(C3(NC(=O)[C@H](C)ON=C(C)C)CCC3)cc1)C2 1789165427 AEUKUELHSJUHSQ-LEWJYISDSA-N 491.632 5.125 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4nc3C)CCC2)cc1 1789626284 IVYUWSLLPKZACX-UHFFFAOYSA-N 456.590 5.678 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c4nncn4c3)CCC2)cc1 1789626377 LJKDZRZSQLUJOT-UHFFFAOYSA-N 465.985 5.123 30 20 JKED COc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789931891 KPYKMPJLQPJACK-KRWDZBQOSA-N 459.571 5.445 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790002604 NPMZYWWCSLFRIJ-JOCHJYFZSA-N 487.625 5.475 30 20 JKED Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1 1790146432 OQBIKQHZGCHHLC-UHFFFAOYSA-N 498.974 5.002 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1OC 1790278249 UHTWBKKAWCJELZ-IBGZPJMESA-N 483.568 5.392 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)cc1 1791587805 NCMMSRLMWMVWGR-UHFFFAOYSA-N 452.352 5.254 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1)c1ccc(O)cc1 1791642801 VVBULCYSCWBXHY-NRFANRHFSA-N 492.579 5.213 30 20 JKED CNc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1 1792122575 NMUKQHZLGJHXDF-IBGZPJMESA-N 452.558 5.417 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)c4ccccn4)CCC3)cc2)c1 1792126189 BCKVFVPAINEVLQ-VQTJNVASSA-N 452.558 5.260 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)c1 1799230092 UQPKJCPGGDNRPF-BTTYYORXSA-N 497.851 5.074 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](F)c2cccc(F)c2)c1 1800278642 WXKGRMDGRUMYKS-AANQFLQQSA-N 470.585 5.056 30 20 JKED O=C(Cc1ccc2ncccc2c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800505121 QXHZGNRPVYPJML-RLPLKTQASA-N 499.614 5.129 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(C)(C)Oc2ccc4ccccc4c2)C3)c1 1800764957 MIWZEIJCYWVCQC-OOSCYNTBSA-N 481.596 5.129 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C#N)CCC1)C2)c1ccc(OCc2ccccc2)cc1 1802082298 JXCDZYPLBRQQQH-RVUATISTSA-N 499.655 5.337 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1802503389 OAGYABVULGLWLS-SHQCIBLASA-N 482.628 5.456 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4occ(-c5cccnc5)c4[nH]2)C3)c1 1803680938 JSWCCKCHJXIACL-QMZRJTEUSA-N 493.567 5.016 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc(-c5ccccc5)n4)CC3)C2)cc1 1804758593 MCNSWRWZNIVSKI-UHFFFAOYSA-N 492.623 5.098 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C1 1806062579 BRXNWQKTBQUZDE-XMMPIXPASA-N 466.647 5.278 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1809464018 TZJSUNNVXPFNHG-WIOPSUGQSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1810174735 PMJAPQYVSPCEDS-LGPLSSKUSA-N 475.633 5.347 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1810495644 UIMLYCNIYOVBFN-IAPPQJPRSA-N 469.629 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2ccc(C)cc2)[C@@H]1c1cccnc1 1810500556 SSSQLIACOBVYBG-RCZVLFRGSA-N 465.663 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1810504543 DZHBOJMJPMTESF-VQIMIIECSA-N 480.461 5.762 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1811285378 FRZJOEMTWWIOJW-VAXXYWNWSA-N 472.614 5.081 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811439144 OKXQDPXDWXOQSV-GEBXHLAXSA-N 497.614 5.976 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3-c3ccc(C)cc3)[C@H]2c2cccnc2)C1 1811524400 DOUSYQPXTUHJOZ-RBJSKKJNSA-N 465.597 5.343 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)[nH]c12 1811741739 BOABODSZEJMDLU-RLWLMLJZSA-N 497.986 5.030 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)c1 1811832140 NPMMACYLQNTXJA-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1812588576 PUXVLNYDCAJFEW-TXBYWVTISA-N 468.022 5.482 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1)C(F)(F)F 1812680001 ROUHCXIVBFEOOT-ZCYQVOJMSA-N 487.566 5.181 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1 1812810190 ZEGDXBRXZVNVMF-XNMGPUDCSA-N 474.649 5.464 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1814570774 SQRFWZUWFKYHOW-HXUWFJFHSA-N 455.518 5.165 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1815249273 RCGRUZLGGGYBMN-MAUKXSAKSA-N 473.401 5.116 30 20 JKED Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1815563097 DTCVVJXLYBVUCQ-NLFFAJNJSA-N 469.589 5.284 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cc(F)cc(F)c2)n[nH]1 1817765081 AMOPQTMNPRGXGJ-KSFYIVLOSA-N 479.531 5.268 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1)c1cccs1 1817825159 VVAFZXZRBVFOCZ-MOEXGYKKSA-N 480.571 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)noc2-c2ccccc2)n[nH]1 1818145023 OIOOQDNEDKKLAL-IRLDBZIGSA-N 473.577 5.447 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4c(Cl)cccc4s3)sc2C1 1818574457 GPTAYLLTQDAPGU-QWHCGFSZSA-N 491.038 5.038 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)[nH]n1 1819303373 VBMLCFZFIMIZQP-ZCYQVOJMSA-N 475.637 5.087 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)[nH]n1 1819307736 MRJJKJVDAOQJBX-CRAIPNDOSA-N 462.381 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](C#CC)c2ccc(O)cc2)[nH]n1 1819309668 FOODKBSNYXAUBW-QQKQFIJSSA-N 474.605 5.073 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)[nH]n1 1819311095 LGJZOUWVNCGHLN-DYESRHJHSA-N 456.974 5.146 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)C(=O)CC3)[nH]n1)c1ccccc1 1819520558 MBISSBWJRMVMFK-JYFHCDHNSA-N 494.595 5.042 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(-c3ccc(OC)cc3)on1)CC2 1820097997 MFKBSTUGGXEGOE-KRWDZBQOSA-N 494.617 5.025 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821047408 LRHBHZDRXZWPIG-CYFREDJKSA-N 474.561 5.099 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2=CCCS2)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821151097 SQRNTPSEWAMJMT-DEOSSOPVSA-N 482.609 5.136 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)c1 1821273480 MASVCWGBNNKQOG-FQEVSTJZSA-N 485.441 5.059 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4c(Cl)ccnc4c3)n[nH]2)cc1 1821386093 ZHBUOMXZZJLCQF-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)[nH]n1 1822398830 IMKGEDQQWHJOJW-HXUWFJFHSA-N 467.367 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)[nH]n2)c1 1823211947 CZQKRNNDSRORRK-XOBRGWDASA-N 497.386 5.358 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1C 1823217332 KLOMNZKQDQWKOT-DVECYGJZSA-N 455.562 5.273 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ncccc3C(F)(F)F)[nH]n2)c1 1823217492 LDNIHCQRQFHMRT-QRWLVFNGSA-N 496.493 5.070 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)[nH]n3)[nH]n2)c1 1823219160 YACBKKBFLODBRS-BVZFJXPGSA-N 493.571 5.047 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)cc1 1823685878 ICWADHXBSSQNMP-MUUNZHRXSA-N 469.629 5.302 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)C1 1823701507 LREVBHUYXVPZAH-NRFANRHFSA-N 452.492 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1823752752 YIYGDMMNRXLCJW-QHCPKHFHSA-N 467.679 5.830 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)cc1 1823812996 YFKNMIXAOKCRKG-HXUWFJFHSA-N 490.456 5.403 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)COC2CCCCC2)CC1)c1ccccc1 1824018264 VCVNYFWJRWMALR-NSOVKSMOSA-N 478.677 5.153 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(Br)c3F)CC2)C1 1824126017 HJRFCOJRXMDPKF-JOCHJYFZSA-N 491.445 5.107 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824139734 QICNPZJUAKOZNP-QUVATAORSA-N 452.561 5.107 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2OC)CC1 1824145069 RGCQAFCZYWOUSJ-DEOSSOPVSA-N 473.057 5.279 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)C4(C#N)CC4)CC3)c2c1 1826681676 XJPZKZNKDUSIDA-QHCPKHFHSA-N 491.632 5.177 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC#N)CC1)c1cccc(NC(=O)OC(C)(C)C)c1 1826691373 QPGDXOZEUJWIEQ-YKSBVNFPSA-N 496.652 5.061 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2CCC)CC1)c1ccccc1 1827844571 JNBULTKPFHNKNC-IZZNHLLZSA-N 489.660 5.366 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)CC2)CCC1 1828321952 ZHUPGHAQAVBMOG-FQEVSTJZSA-N 470.038 5.482 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1)c1cccs1 1828417586 PTFNBXBKGFJGNK-XMLSASNKSA-N 496.595 5.024 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c1 1828678577 OESWZJJPXFAZFM-DEOSSOPVSA-N 472.614 5.024 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1828823052 NYZGGUVSALFFSR-UIOOFZCWSA-N 452.639 5.016 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1828828951 VEJNFASIJUPUNF-OZXSUGGESA-N 499.659 5.331 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3n2)CC1)c1ccccc1 1829032045 INHJLKWFCJLNME-GGXMVOPNSA-N 494.639 5.060 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829581495 ASRONRKEJDYRRD-SIKLNZKXSA-N 463.647 5.600 30 20 JKED COc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1C 1829692219 FZBUZCDOBGCCEG-QHCPKHFHSA-N 480.008 5.076 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@H](C)S)CC3)ccc21 1829695863 UAINCWQFGVAOTP-CYFREDJKSA-N 477.674 5.366 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829998889 QOCGARHNUFGIQU-GOTSBHOMSA-N 462.556 5.707 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830013033 ODVWVECBVTXIJY-MUUNZHRXSA-N 492.623 5.476 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)CC1 1830464179 CLSPKXQCSQGAEV-SANMLTNESA-N 495.067 5.527 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(NC(C)=O)c2)CC1 1830687797 GLFRJHNFXDYOMP-VWLOTQADSA-N 467.654 5.179 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c(Cl)c1 1830721179 BKRRFOJEBNAZHN-OAQYLSRUSA-N 482.005 5.566 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1830769957 GNKUHKOUYFLKFU-RUZDIDTESA-N 489.019 5.549 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831142184 FIDZBCRGGASKNH-JOCHJYFZSA-N 457.684 5.303 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(Br)c3)CCCC2)CC1 1831317521 JPTLEOGLMYEYHZ-DEOSSOPVSA-N 499.493 5.294 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)CCCCC)CC1 1831771784 UIPGZFQLYXNCGT-QPTUXGOLSA-N 491.717 5.292 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1831843006 TYBBKACCWAWTPA-GBXCKJPGSA-N 475.658 5.158 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1cccs1 1832144669 BLBIXADWTLVUOP-VGOFRKELSA-N 470.038 5.310 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832584034 UJGWAEHKNYSUEV-RUZDIDTESA-N 482.741 5.288 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1F 1832616355 LXUOZKICIDRPLC-DVECYGJZSA-N 479.571 5.447 30 20 JKED CCSc1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832628650 ZWHYXPIOOYXODX-NBGIEHNGSA-N 490.673 5.368 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c1 1832628966 HJIFVEVYPFTBFB-MBSDFSHPSA-N 484.065 5.505 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832634944 YMGMBAJPVSOQPU-SLKOVPJMSA-N 499.655 5.659 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832635521 IFELPEFGNKKKFG-XDHUDOTRSA-N 499.989 5.792 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1832830093 YIYSEMLOWUOOHR-RCZVLFRGSA-N 480.052 5.274 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1835683078 LWRLCYZVPUFUFK-NRFANRHFSA-N 492.491 5.255 30 20 JKED O=C(c1ccccc1Oc1cccc2ccccc12)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315127 MKGHQHYHEZRQPZ-FDAWAROLSA-N 493.563 5.161 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 10172521 SPNGFTGNUJZQKW-UHFFFAOYSA-O 479.669 6.849 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1c(C)cc(C)cc1Cl 10178786 HGZLCBRLASOMTE-UHFFFAOYSA-O 459.969 6.136 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(F)cc2F)cc1 11249626 BIFNOPKKABCUOE-UHFFFAOYSA-O 453.578 6.379 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)COc2ccccc2-c2ccccc2)n(C2CCCC2)c1C 12264152 ALUWDGOFSKRXGX-UHFFFAOYSA-N 471.557 5.319 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(C4SCCS4)cc3)s2)cc1 14621416 YKJWQRZXGIXCQU-UHFFFAOYSA-N 456.643 5.433 30 20 JKED C=CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)c1nc(-c2ccccc2)cs1 15608252 BPELOHVCNDIPEB-UHFFFAOYSA-N 459.365 5.423 30 20 JKED Cc1cccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2c[nH]c3ccccc23)c1 21459001 JRXIYXVJPNJGKQ-GOSISDBHSA-N 478.581 5.715 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccccc1SC 22082716 STPJLJMLSGBOTG-HNNXBMFYSA-N 458.584 5.023 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1)C(=O)NC1(C#N)CCCCC1 22137474 RHVBFEHVQMXRAF-LJQANCHMSA-N 491.661 5.707 30 20 JKED CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 26115117 BKDDGIZHGMOBIA-HNNXBMFYSA-N 488.444 5.749 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1cccc2ncccc12)C(C)C 32785496 PEMCXQNGROSODX-XMMPIXPASA-N 457.603 5.359 30 20 JKED COc1cc(/C=C2/CN(CC3CC3)C/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 95535909 DIIGHKVINQRUDW-OYUQAUEZSA-N 490.383 5.184 30 20 JKED COc1cc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 107647084 AXGVFNUPHYESLL-NRFANRHFSA-N 464.949 5.593 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 108953678 DLJBJBSUSJUCQP-UHFFFAOYSA-N 453.498 5.442 30 20 JKED Cc1sc2ncn(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(=O)c2c1-c1ccccc1 303255873 DDHBEBHNBAPEHI-INIZCTEOSA-N 474.611 5.466 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N 303323136 UTDUHJXQPTUPCP-OAHLLOKOSA-N 457.024 5.959 30 20 JKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1ccccc1F 409990576 DBMXKNCNNYNLFS-UHFFFAOYSA-N 462.337 5.919 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H]1c1ccc(OC)cc1 481691199 WGGBTXSCNHYBEJ-YKSBVNFPSA-N 465.619 5.226 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2C)nnc1-c1ccc(Cl)cc1Cl 482464098 OFYHRROZTDTGJJ-UHFFFAOYSA-N 476.433 5.543 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1Cl 491568935 JYKVEPSYOAYDIK-NVQXNPDNSA-N 473.020 5.682 30 20 JKED N#CCCn1cc(C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c2ccccc21 497348092 UIHYILAXQUSEID-UHFFFAOYSA-N 452.539 5.545 30 20 JKED C[C@H](NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(C#N)cc1 498401589 NGSOZACFIPYBET-INIZCTEOSA-N 467.447 5.086 30 20 JKED CCCCCc1ccc(C(=O)CCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 502054477 SAIDLRKHMIETNW-UHFFFAOYSA-N 459.590 5.131 30 20 JKED Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510350515 JHCVIWDNXWBSCR-UHFFFAOYSA-N 479.334 5.182 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 514031102 OYUAOGUQUBLWCH-UHFFFAOYSA-N 493.361 5.261 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 515220913 CTHVBVSXMXOQCW-UHFFFAOYSA-N 450.336 5.564 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 515374912 IICHQWIRNXREAZ-UHFFFAOYSA-N 492.992 5.352 30 20 JKED CC(C)c1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c2cnn(C(C)C)c2n1 515448146 QKXCILVAMWHAFO-UHFFFAOYSA-N 466.545 5.512 30 20 JKED COc1ccc(Cl)cc1CN(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516059439 JBNIRVFGODBGSD-NRFANRHFSA-N 482.367 5.255 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 517447916 WYFXYWUKVKFBLZ-IAGOWNOFSA-N 498.653 5.154 30 20 JKED CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517463112 ALYLWARGIYZSMN-UHFFFAOYSA-N 477.552 5.725 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc12 517800979 UHMXBJLRMGULRB-OAHLLOKOSA-N 477.343 5.424 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-])c1ccccn1 517801162 YSDDLYXRAMPUQO-LPHOPBHVSA-N 469.526 5.776 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517843498 UTQRHNCRDYILOK-AREMUKBSSA-N 453.542 5.289 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cc(F)ccc1N1CCN(C)CC1 518754489 OSLCBMZFUUCMHM-LJQANCHMSA-N 473.552 5.124 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1)c1nc(-c2ccccc2)cs1 520434643 ZRSGTCWKZFOWNM-UHFFFAOYSA-N 492.608 5.958 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC1CCCC1 520855565 RXVCNSNMNHSHRH-ZWKOTPCHSA-N 453.608 6.151 30 20 JKED CC1CCC(OC2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CC2)CC1 521256781 ZFSDEPGHIFHCQF-UHFFFAOYSA-N 471.652 5.294 30 20 JKED Cc1nc(NC(=O)CSCc2ccc(C#N)cc2)sc1-c1nc2ccccc2n1C(F)F 521789237 UIQJOEREGBCCPI-UHFFFAOYSA-N 469.542 5.607 30 20 JKED COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 524004527 QOVRIZIOFFVXLH-HSZRJFAPSA-N 490.991 5.394 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 524288117 RXZXNGCBNLEOMS-XMMPIXPASA-N 451.929 5.298 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc(Cl)c2cccnc12 524389185 VQEMIMYLUVOVKL-UHFFFAOYSA-N 457.917 5.665 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 524437241 CBMQDRFNFVBLNF-UHFFFAOYSA-N 474.605 5.092 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cc3ccccc3s2)c1 578536078 UKDKPKGTXQOSSR-UHFFFAOYSA-N 457.580 5.434 30 20 JKED COc1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 588330315 HSRBODMBJMQHAA-UHFFFAOYSA-N 488.306 5.007 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1nc2ccccc2s1 591862032 KDRNQVYNWXDAEB-IBGZPJMESA-N 463.518 5.773 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2)cc1 603622413 UXZGPQRFQMUOQG-UHFFFAOYSA-N 498.564 5.131 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCCC4)o2)cc1 603996473 SKNXYHGCQIDJNL-UHFFFAOYSA-N 454.577 5.068 30 20 JKED C[C@@H](OCCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 604139447 LIOKVGLRNYXMLY-NTKDMRAZSA-N 475.976 5.218 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 604438554 ANWLPPOVVNPVJK-UHFFFAOYSA-N 462.534 6.162 30 20 JKED Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C(C)C)cc1 609061973 NYVLQXOKYXOMIF-SANMLTNESA-N 455.558 5.147 30 20 JKED CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)C2 609080175 VRTMMWFZGCRTKY-UHFFFAOYSA-N 474.948 5.339 30 20 JKED C[C@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087041 POWDHFAJQNYPNC-MRXNPFEDSA-N 465.912 5.088 30 20 JKED Cc1cc(CN(C)C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(C)c1OCC(F)(F)F 609438619 OYZFHIAXRXQZFD-KRWDZBQOSA-N 493.551 5.236 30 20 JKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc2c(c1)nc(O)n2CC(F)(F)F 622485685 VHGFVCKNHDTYIU-CQSZACIVSA-N 485.306 5.356 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nc2sc(C)c(C)c2c1=O 639386579 KLCCTQQXVSJYAK-FQEVSTJZSA-N 469.632 5.219 30 20 JKED Sc1nnc([C@H]2COc3ccccc3O2)n1N=Cc1ccc(-c2ccc(Cl)cc2)s1 725791544 PHMLVOJSYOZDTL-GOSISDBHSA-N 454.964 5.343 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1 725884807 QNXWFAXXHHLALX-KAYWLYCHSA-N 475.548 5.444 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\CCc3ccccn3)N(Cc3ccccc3C)C2=O)c1 726107288 AXONIQYFPVHTIH-DXWCKFLSSA-N 486.641 5.078 30 20 JKED O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 726287083 IDOFRZHCNJDBFE-HTQZYQBOSA-N 498.823 5.619 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC[C@@H](C)OC 726391968 DIGAQIMRORTQQU-KOSHJBKYSA-N 491.613 5.234 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 726413507 TZKLREGYLRIPTO-DVECYGJZSA-N 468.582 5.093 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CC1CCC1)c1cccs1 726419920 GVMVLRYFNAWPKU-ZIAPORJASA-N 463.575 5.216 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccsc3)C2=O)c1 726420110 HHILSGPRLKABPN-PDNRQDKUSA-N 485.656 5.408 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2Cl)n1 726657259 KQSGOVWJPXHTMW-MRXNPFEDSA-N 480.929 5.463 30 20 JKED C[C@@H](OC(=O)c1occc1COc1cccc(C#N)c1)c1ccccc1NC(=O)c1ccccc1 726735740 OLGHCXLCLYZITQ-LJQANCHMSA-N 466.493 5.901 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(N4C(=O)c5ccccc5C4=O)c(Cl)c3)o2)cc1 727988385 CQVRAXILDUDSGN-UHFFFAOYSA-N 497.894 5.437 30 20 JKED COC1CCN(c2ccc(NC(=O)NCc3ccc(F)cc3C(F)(F)F)cc2C(F)(F)F)CC1 728124374 NVZFGVGXHUCDPB-UHFFFAOYSA-N 493.423 5.800 30 20 JKED N#Cc1cccc(COc2ccc(NCc3cccc(C(=O)NCc4ccco4)c3)cc2F)c1 728202212 WDZADVUSTMEOIR-UHFFFAOYSA-N 455.489 5.411 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c(C)c1 728777566 LIZNABKLYBXMEX-OAQYLSRUSA-N 470.545 5.236 30 20 JKED CCOc1ccccc1Nc1nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c(=S)s1 728903369 MIQZZWLFVLGFRY-UHFFFAOYSA-N 467.620 5.189 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3scnc3C)C2=O)c1 729145463 LIBLBOPEENIOIO-GKORUVCRSA-N 498.699 5.720 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCC3)C2=O)cc1 730459927 PJHXTSGVGZTNLS-HXUWFJFHSA-N 487.528 5.003 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc(Cl)cc1Cl 730954730 IZLZSGFKADRKKA-UHFFFAOYSA-N 450.338 6.827 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CSc1ccc2ccccc2c1 731063810 RZPKVXQACRYNIX-QGZVFWFLSA-N 450.585 5.508 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1 731071727 QJHQKBGBHBWZQR-MRXNPFEDSA-N 479.583 5.048 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 731114317 NNUZPAYFENLEID-RDPSFJRHSA-N 497.668 6.439 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)cc2F)C1=O)Nc1ccccc1F 745584135 MPGWVADZLPAAQD-OAQYLSRUSA-N 487.478 5.404 30 20 JKED N#CCCn1cc(C(=O)COC(=O)Cc2csc(-c3ccccc3Cl)n2)c2ccccc21 746234436 GPHPFXFAYMVWIN-UHFFFAOYSA-N 463.946 5.300 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 750109366 WEPWVOXNLXDUTP-UHFFFAOYSA-N 481.533 5.335 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O 799211363 LWCAYWVVGNNUGQ-INIZCTEOSA-N 473.879 5.310 30 20 JKED CN(C(=O)c1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 849118490 HIZFWTVKBORGQR-UHFFFAOYSA-N 493.629 5.089 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1 904487126 NMXWQJIQDVNOIP-IBGZPJMESA-N 473.537 5.120 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1 914545423 IUTBOKRYCLTFGE-XMMPIXPASA-N 491.588 5.441 30 20 JKED O=C(Nc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1)c1ccncc1 914701710 NKMRQPFWHWGZKS-UHFFFAOYSA-N 475.140 5.315 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1 915102513 VOQKTTKPAMYDGI-HXUWFJFHSA-N 479.989 5.201 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCCCC2)cc1 915779180 XLVSHORFXZQKJS-AREMUKBSSA-N 451.570 5.299 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1 916217942 YRZBJWJOGFYRCP-OFNKIYASSA-N 477.561 5.118 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 916883794 OWYUMTQUOWRZLW-LJQANCHMSA-N 497.780 5.128 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)cc1 916914934 ZINSQNRDCKOMFZ-FQEVSTJZSA-N 471.586 5.309 30 20 JKED N#C[C@H](C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 917039633 BGABIRJOBWQCSF-GFCCVEGCSA-N 467.354 5.037 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1C 917206786 YIQGAUAOQMLYTJ-HSZRJFAPSA-N 474.630 5.385 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@@H](C)c2ccccc2)cc1 917611038 XTSYZLNNDHWTRV-FQEVSTJZSA-O 474.650 5.505 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)cc1 917676573 VHYUGIUTVVGUHI-NRFANRHFSA-N 482.993 5.160 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)cc1 917676577 VHYUGIUTVVGUHI-OAQYLSRUSA-N 482.993 5.160 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2CC(F)(F)F)c1 917709599 PPKCIEJSELWTBL-IBGZPJMESA-N 463.525 5.010 30 20 JKED Cc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1NC(=O)c1ccccc1F 918323025 PWBDSXFQHHGWQA-RUZDIDTESA-N 463.512 6.294 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cc1 918449366 MSNQAPFAIKEYMD-SVBPBHIXSA-N 479.967 5.840 30 20 JKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1 920109984 LRKVOIFFLYUUJG-CQSZACIVSA-N 455.736 5.071 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O 920169418 FOUQEEDXBWTMNY-FQEVSTJZSA-N 497.573 5.054 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)F)cc2)s1 920171354 UUNDTKQIMKJLLI-ACJLOTCBSA-N 479.574 5.019 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cc(C)on2)c1 920353560 MTMSKEITTNCMST-XMMPIXPASA-N 484.581 5.605 30 20 JKED Cc1cc(C)c(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)c(C)c1 920806170 IAYPXYKLEXZCGF-DLBZAZTESA-N 465.525 5.243 30 20 JKED N#C[C@@H](C(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc(-c2c(F)cccc2F)cs1 920806738 OZNPVTFIIFAQDF-LBPRGKRZSA-N 471.876 5.227 30 20 JKED CC[C@@H](C)Cc1c(C)sc2nc(S[C@H]3CCN(c4sccc4C#N)C3=O)nc(O)c12 1458896715 NATIMBFRUOIZLF-ABAIWWIYSA-N 458.634 5.125 30 20 JKED CCC(CC)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1ccc(Cl)s1 1513327344 UVMGOUHDKZQKGI-UHFFFAOYSA-N 483.041 5.000 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3c(Cl)cccc3s2)C1 1778718903 AYICNAGROJJKFR-YPAAYVHUSA-N 487.065 5.451 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3OC(F)F)CCC2)cc1 1786368211 FZHJACALBUIKJQ-UHFFFAOYSA-N 458.505 5.019 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)CCC2)cc1 1786372789 XZWFELSZQCIIEZ-SFHVURJKSA-N 477.992 5.535 30 20 JKED Cc1ncccc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1786745713 WXXGSZSOGVFMKG-UHFFFAOYSA-N 472.976 5.296 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)cc2)CCC1 1787725447 RFNKHRHMCMIPHV-UHFFFAOYSA-N 479.429 5.426 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)cc2)CCC1 1787725777 DQECMMLBOXCIPR-MRXNPFEDSA-N 492.403 5.307 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1789558401 JHOQBWOMYCREPH-KVUWKNAUSA-N 494.979 5.098 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4csc(C(F)(F)F)n4)cc3)CCC2)cc1 1789880581 OETLQVQZXRDXNW-UHFFFAOYSA-N 484.503 5.024 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4c3cnn4C)cc2)CCC1 1790091519 YXUCXFAFQZGOEH-MRXNPFEDSA-N 495.421 5.296 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Sc3ccccc3)CCC2)cc1 1790563624 PAPDAZQNDBYGGZ-RTBURBONSA-N 453.608 5.102 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)c1 1790796079 WUUJAKLEFXMLCO-UHFFFAOYSA-N 478.474 5.342 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(Cl)ccnc5c4)cc3)CCC2)c1 1790838967 WFWMLZQAWWWLLP-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3noc4ccc(Br)cc34)cc2)CCC1 1790992050 DVUWMEGRLMVDHF-UHFFFAOYSA-N 480.362 5.142 30 20 JKED Cc1cc(C)n2ccc(C(=O)Nc3ccc(C4(NC(=O)C#Cc5ccc(Cl)cc5)CCC4)cc3)c2n1 1791002278 VLJOXGJNVRRDMC-UHFFFAOYSA-N 496.998 5.404 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)CCC2)cc1 1791299577 OBBMCNPYJLCROY-UHFFFAOYSA-N 480.515 5.044 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccco3)CCC2)cc1 1791584972 PZRHNEIOMXWNQQ-JOCHJYFZSA-N 493.604 5.173 30 20 JKED Cc1ncc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)s1 1791839906 CPMLIIAWSQRVFA-QGZVFWFLSA-N 458.587 5.069 30 20 JKED COC(=O)Nc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792127465 ZJENLXJQJWRMBU-LJQANCHMSA-N 496.567 5.553 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Cc4ccccn4)CCC3)cc2)cc1C#N 1792168865 JAXREGJFWXZSKW-OAQYLSRUSA-N 496.611 5.367 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnn5c4)CCC3)cc2)cc1C#N 1792168878 JWZREBDHQCXURV-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nc(-c2ccccc2)sc1C 1794249068 QQCWPTXANUQSRQ-KAOXLYBCSA-N 463.647 5.068 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)N(CC(C)C)CC(C)C)C(F)(F)F 1801399743 BSFOJIBRWWNXGA-KIHHCIJBSA-N 493.614 5.098 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1802491065 FTDLJVHYGLLHSB-CFBBYLOMSA-N 479.587 5.449 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1802495680 CXXOMKMQVOHSCV-AOYPEHQESA-N 470.617 5.250 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(C)C)nn3ccccc23)[C@H]1c1cccnc1 1802503035 KHIWDLYRTDQOKH-NVQXNPDNSA-N 487.648 5.165 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1803078962 GAAWUVURKXKAPK-KCWPFWIISA-N 496.051 5.368 30 20 JKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1803524225 VHKTUWMLFNCVKI-ACDBMABISA-N 458.480 5.326 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cccnc4-c4ccc5ccccc5c4)CC3)C2)C1 1804777854 GOGZFVZXNRCKKG-UHFFFAOYSA-N 479.624 5.713 30 20 JKED Cc1scc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1C 1806051246 QQAQTFORGMKYKN-RCZVLFRGSA-N 481.738 5.131 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1808594184 GMBAINQNKYXNEW-LSYYVWMOSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1808597728 QGLOYPKOEKHFAW-SKVJQKLOSA-N 480.612 5.232 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)CC2)C1 1809511513 NVTLNFJYOLCSHJ-UHFFFAOYSA-N 489.582 5.902 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1810499684 HCELYRULZMRKFK-AOYPEHQESA-N 470.617 5.250 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2F)[C@@H]1c1cccnc1)c1ccccc1 1810572473 USJJJHZJWUMODZ-QQNWGBJXSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1811159416 HDPYIUIAOHNCDG-IGKIAQTJSA-N 482.628 5.456 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CC[C@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)cc1 1811361768 NGFMWHBTFTYFFY-MSDMCYFMSA-N 496.636 5.082 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCC3)c(F)c2)[C@H]1c1cccnc1 1811389213 ZWFLQVMEGHVCPN-JYFHCDHNSA-N 492.639 5.133 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1812197800 NHYVDFGLQUBAJG-AUSIDOKSSA-N 477.630 5.314 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1)C(F)(F)F 1812221313 HSIJNAMMHWVBCD-WIYYLYMNSA-N 473.520 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1813838124 WVCWSCYJPHHQKU-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2Br)[C@H]1c1cccnc1 1813979949 GJARXSRRHXNMSE-LUQKVYGDSA-N 490.829 5.029 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@](C)(OC)c3cccc4ccccc34)[nH]n2)C1 1814396436 IIBVGIQYWSTUQI-UFHPHHKVSA-N 472.589 5.083 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4c(c3)CCC4)n[nH]2)c1 1815683976 HZHVZWXJTZYJRZ-BCHFMIIMSA-N 481.600 5.074 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(-c3ccccc3)c3ncccc23)n[nH]1 1817797062 VVLISHRTXZITGR-DVECYGJZSA-N 482.588 5.267 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)n[nH]1 1818160819 QTZLCBGPOYJEBX-REWPJTCUSA-N 489.576 5.148 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn3c(Cl)cccc3n2)n[nH]1 1818524717 OGOCXTZXEVZPSQ-SFHVURJKSA-N 468.989 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)[nH]n1 1819307228 DDNHKNGUQQHZFY-ICSRJNTNSA-N 460.500 5.503 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1 1819384798 YRHSVFAECHTQJU-QPPBQGQZSA-N 468.649 5.164 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1819384847 AZURMCWYNITNAX-HXUWFJFHSA-N 481.698 5.310 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccoc2Cl)[nH]n1)c1ccccc1 1819520465 JDDIWDBAQHBQCL-GHTZIAJQSA-N 464.953 5.159 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1819554641 LQNOXULSVAAQPK-OAQYLSRUSA-N 451.546 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2noc(-c3ccccc3)n2)[nH]n1 1819555534 LCJHPTGUYIYVMT-NRFANRHFSA-N 490.608 5.077 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N3CCCC3)c(F)c2)n[nH]1 1820189675 CXIXTTGNDFZOPP-DEOSSOPVSA-N 479.600 5.223 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)[nH]n2)cc1 1820544218 AVDQUKNIMKHXBV-QFIPXVFZSA-N 472.936 5.036 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821148217 DFGZCRFEBLDXJQ-IBGZPJMESA-N 460.525 5.104 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)o1 1821156071 YIZBEOUUSPIFHU-MHZLTWQESA-N 492.579 5.260 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821272673 MPRWQJBBQSSLIE-HXUWFJFHSA-N 465.916 5.002 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)[nH]n1 1822581825 ZXCBKSXIMPTQRL-RUZDIDTESA-N 497.599 5.162 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1823750702 RVCOSRDAPZGXFI-VWLOTQADSA-N 454.655 5.240 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1824145891 OTWMVDSIKODYHH-DEOSSOPVSA-N 489.701 5.022 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccco3)CC2)cc(C(F)(F)F)c1 1825266687 LLIMCBSEWQTUTJ-YQTDCCHMSA-N 485.506 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(C)(C)C)c2)CC1 1825432659 IHXNIHSXLPEIDE-DNQXCXABSA-N 451.655 5.381 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)sc2c1 1826203376 RIEPDLJKLRUXRM-DEOSSOPVSA-N 486.641 5.218 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CC2)CC1)c1ccc(Cl)cc1 1826679274 YOQRPEABAPEKHJ-GOTSBHOMSA-N 456.030 5.003 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1827875553 MBBPHXPWCFGDBB-NDEPHWFRSA-N 492.623 5.362 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2coc([Si](C)(C)C)c2)CC1 1828904749 PYPSWEDIVKLQNW-JOCHJYFZSA-N 458.719 5.051 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2noc3ccccc23)CC1 1828905738 YKQZVYSRTDCLGM-VWLOTQADSA-N 493.724 5.041 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1)c1ccccc1 1829034633 BCKHIDCJDNEUGP-DTGGOYBASA-N 483.656 5.302 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1829372066 XMYXYQXMIRTYJB-CYFREDJKSA-N 483.056 5.186 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4sccc4c3O)CC2)cc1 1830017460 YZPXWOFLTLQBER-HSZRJFAPSA-N 473.598 5.026 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830556829 SUFWBVINKYARFR-XMMPIXPASA-N 467.972 5.206 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c[nH]2)cc1 1830630642 OFNDSJLYXUMOOX-LJAQVGFWSA-N 494.639 5.603 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830676826 ZACFHOBSXLRZFA-FIPFOOKPSA-N 489.660 5.696 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1830766946 VNDSMOMZXZBUMO-VWLOTQADSA-N 472.633 5.106 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnn(C(C)(C)C)c3Cl)CC2)c1 1830767348 AKGUPMBSZXRRIB-QHCPKHFHSA-N 496.055 5.019 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)CC1)c1ccccc1 1830821865 BDSMLGIPQYPBPL-SVBPBHIXSA-N 497.643 5.108 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4sccc4c3O)CC2)cc1 1830956064 DDPUOWLPNQCMAK-QHCPKHFHSA-N 473.598 5.026 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1 1831860719 XTWLDHTUJWRABR-QHCPKHFHSA-N 489.641 5.213 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 1832024676 BWUREWUFVGZTKD-QFIPXVFZSA-N 477.418 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccsc3)CC2)c1 1832629736 BUHPCQLACFIEBR-NLFFAJNJSA-N 463.647 5.241 30 20 JKED COc1cccc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634996 YYTXKPIFYDVHPB-WGGMLVHQSA-N 485.628 5.269 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1Cl 1832654847 GXPYCWIQHDSTHR-RUZDIDTESA-N 494.035 5.086 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1 1832701566 MLDTWYKOKPVNAS-HHHXNRCGSA-N 487.644 5.130 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)CC1 1838289702 WYPQYSVMBOSQLL-HDYLNDSGSA-N 472.714 5.584 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C2 1844203947 VIOZNBZBHNTEAH-MRXNPFEDSA-N 485.344 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1 1846271442 ZPWSWQIUUMHMJD-QFIPXVFZSA-N 489.701 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2cc(Br)c(OC)cc2o1 1847264055 RRSRFFRIYHYSRA-ROUUACIJSA-N 489.410 5.012 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1ccc(Cl)cc1Cl 9225032 YUAGENXHFZUOTA-UHFFFAOYSA-N 465.431 5.891 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1cccc(C)c1C 10167699 SMQFIRGEFYHQSQ-UHFFFAOYSA-O 458.434 6.511 30 20 JKED O=C(/C(=C(/S)Nc1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 10830495 VPSUDFFFQRMBIR-UHFFFAOYSA-O 457.953 5.835 30 20 JKED C=CCn1c(SCC(=O)OCc2ccc(C#N)cc2F)nnc1-c1ccc(Cl)cc1Cl 11214543 UXUDYKOWLCWZSP-UHFFFAOYSA-N 477.348 5.284 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)nc2ccccc21 11650538 HBDLTITVTLLRGI-UHFFFAOYSA-N 466.588 5.094 30 20 JKED CC(C)n1c(SC[C@H](O)COc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 15244597 NWOGSEAMNWWEGB-MRXNPFEDSA-N 463.390 5.236 30 20 JKED C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 16760650 KFKOSMQDYJGWNQ-CYBMUJFWSA-N 466.916 5.389 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccc(Cl)cc1 16862791 YARPYFBRHXYXQB-AWEZNQCLSA-N 491.842 5.975 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 17882154 AOFGYMHCPLETIU-UHFFFAOYSA-N 486.601 5.199 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1C#N 18352738 MSGVOSHDLLWXAG-UHFFFAOYSA-N 452.543 5.245 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)o2)cc1 21585711 OQMLDUQQSHOHKU-UHFFFAOYSA-N 465.937 5.035 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)n2Cc2ccco2)c1 22046488 JHVAYKCHNULXOA-UHFFFAOYSA-N 492.004 5.587 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23603228 NUWGWNPBWYREIO-UHFFFAOYSA-O 475.465 6.574 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23603942 ZGHBIZSHFHTDRP-UHFFFAOYSA-O 470.565 5.450 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1cccs1 24950842 LQJBSEZJGIOUJC-UHFFFAOYSA-N 454.625 5.162 30 20 JKED CC(=O)N(c1nc(COC(=O)COc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 25040609 QQIQQRRQBBXQTB-UHFFFAOYSA-N 469.950 5.092 30 20 JKED COc1ccc(-c2nc(C)c(/C(O)=N/c3nc(-c4ccccc4Br)n[nH]3)s2)cc1 28903370 KJDNMXVGFIJKTG-UHFFFAOYSA-N 470.352 5.311 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 30039547 PYECXOADXFHHHX-UHFFFAOYSA-N 483.355 5.806 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1ccoc1C 36802888 VGMLESUIRGFLJW-HSZRJFAPSA-N 474.586 5.822 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 303181616 SWIGNRULHJHCDJ-UHFFFAOYSA-N 469.472 5.052 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 409524955 DWPQHWOIHROCRT-SFHVURJKSA-N 498.396 6.021 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 409976149 BDGINMCSCNXUHG-MRXNPFEDSA-N 498.377 5.032 30 20 JKED Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4ccc(OCc5cccc(C#N)c5)c(F)c4)c3)cc21 475249169 PVAZYQYCZMPJTN-UHFFFAOYSA-N 493.498 5.183 30 20 JKED C=CCN(C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1nc(C(=O)OCC)cs1 501942705 LOZKMAUCOWHNMM-UHFFFAOYSA-N 489.553 5.080 30 20 JKED C=CCN(C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)c1nc(C(=O)OCC)cs1 501950548 VFNNLQYIUUGFGI-UHFFFAOYSA-N 471.582 5.605 30 20 JKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 502089264 PXQFNUROJLLLPC-MHECFPHRSA-N 474.992 5.845 30 20 JKED Cc1nc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)sc1SCC#N 503240336 XTJFDWGOJLNWGR-UHFFFAOYSA-N 493.323 5.226 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1 503456541 BHARXNPKQNGRJE-JOCHJYFZSA-N 489.597 5.175 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccccc1 504321563 OZZDJFOWBOWAOI-QGZVFWFLSA-N 476.650 6.052 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)n2)cc1 506842258 JRZZCGDMLBIALS-HXUWFJFHSA-N 483.578 5.618 30 20 JKED N#Cc1ccc(OCC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 510297768 JEFAWFXUXMBQAT-UHFFFAOYSA-N 454.408 5.239 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512171740 RPVZXWVSSOIQQM-MGPUTAFESA-N 462.531 5.146 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513693073 ZWHUWKBOZOUYHJ-OAHLLOKOSA-N 481.002 5.851 30 20 JKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515974308 RPOYRPNDYKOPLP-UHFFFAOYSA-N 475.957 5.816 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2cccc(Cl)c2Cl)cc1 517716711 SWWSSZFXIOGEOH-UHFFFAOYSA-N 470.356 5.839 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 518151392 RGTBGSXTIUUGPE-UHFFFAOYSA-N 459.449 5.809 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1c1cccs1 518674595 AUZFVFVZYDLQJL-OAHLLOKOSA-N 453.511 5.075 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 520179107 NVDHWEOBPTXRCZ-UHFFFAOYSA-N 458.537 5.317 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 520367741 UCQTWVZUAMNAQW-UHFFFAOYSA-N 484.600 6.085 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccccc1OC 520814820 NDXGVTADXRBZPQ-MRXNPFEDSA-N 467.620 5.099 30 20 JKED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 521072354 YBCQDMRWQQCNLK-UHFFFAOYSA-N 478.543 5.206 30 20 JKED Cc1cc(NC(=O)c2cc(/C=C/c3ccc(C)o3)nc3ccc(Br)cc23)n(CCC#N)n1 522742942 POKKNMIMSWHPAH-SOFGYWHQSA-N 490.361 5.740 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccnc3S[C@@H](C)C(=O)N3CCCC3)n2)cc1 523959282 OKQLUYFHIROFHG-FXAWDEMLSA-N 476.627 5.107 30 20 JKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1Br 524140798 QNZRTDGGQGIQLF-UHFFFAOYSA-N 451.320 5.469 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)n1 524438794 VRUVBRHLRQRBGP-UHFFFAOYSA-N 481.556 5.422 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)nnc1-c1ccc(Cl)cc1 558478069 VXRUOTQGAYZESI-NRFANRHFSA-N 493.036 5.425 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1SCc1cscn1 603739128 SZNMDMJEROQJSV-UHFFFAOYSA-N 458.568 6.055 30 20 JKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1 603775819 AVQOMQNDFWGRMK-UHFFFAOYSA-N 459.600 5.540 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)o1 603949450 IDCNHSLHZVEHEG-UHFFFAOYSA-N 451.507 6.259 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 604329457 ORNYUHNABSSVJA-QZTJIDSGSA-N 456.386 5.340 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)cn2)c1 604428375 MNHQRZLOFCTDKQ-QHCPKHFHSA-N 488.956 5.305 30 20 JKED Cc1nccc(-c2cccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)c2)n1 604437938 FAZSDSLWUNFORW-UHFFFAOYSA-N 479.565 5.307 30 20 JKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 608796170 HXRZEYUHIWFLOS-HSZRJFAPSA-N 457.530 5.297 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 608965518 YUSJEGAHAQLSCS-OAQYLSRUSA-N 457.313 5.251 30 20 JKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3cccc(COCC(F)(F)C(F)F)c3)cc2)cc1 609034876 CNBXTXOMYWKAJZ-UHFFFAOYSA-N 494.466 5.568 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccn2)cc1 609058385 PJSSDTQHUSELPQ-UHFFFAOYSA-N 469.497 5.246 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)cc2)c1 609064157 XEUASRXUEMAWHR-MUUNZHRXSA-N 489.531 5.332 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)cc2F)c1 609104118 OKORVJFOHFTREU-UHFFFAOYSA-N 470.479 5.342 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc3ccccc3n1CC#N)CC2 609162041 TZTKQPZTQHRPIF-VWLOTQADSA-N 457.555 5.031 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 609401830 BBVOFALVLASURO-NFBKMPQASA-N 479.646 5.919 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 609438533 KZQIUFXMXARXQU-YCRPNKLZSA-N 470.019 5.640 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)n2)cc1 613315244 FITFKHVQAJFFSA-GCJKJVERSA-N 479.627 5.172 30 20 JKED N#C[C@@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344348 IWTYLSGRMBEUQN-KRWDZBQOSA-N 490.375 6.317 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cccc2ncccc12 613428230 ZCSYVEUOOCIZBP-MRXNPFEDSA-N 479.993 5.364 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc12 618297884 NJFJPWMGWOKSSC-OKILXGFUSA-N 493.448 5.797 30 20 JKED Cc1ccc(S(C)(=O)=O)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281610 MJHFJPNXOJATNG-INIZCTEOSA-N 465.383 5.319 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)NCC(F)(F)F)cc1 725760899 WIPUJAJGBFAGCW-UHFFFAOYSA-O 466.549 5.011 30 20 JKED N#CC(CCOC(=O)C1CCC(NC(=O)C2CCCC2)CC1)(c1ccccc1)c1ccccc1 726056162 AJNAKHRLTJJKRS-UHFFFAOYSA-N 458.602 5.295 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCc2ccccc2)cn1 726113479 RZEUDUXDBNVVNH-RUZDIDTESA-N 497.624 5.259 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC[C@H](C)OC)cc1 726392132 FECNRVSCKLFTAI-UUOWRZLLSA-N 491.613 5.234 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)c(F)c1 726412082 PPLNWNVCTMTENT-SFHVURJKSA-N 483.487 5.223 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCOC(C)(C)C)cc1 726415293 JMSRPIIFPMQQDN-JOCHJYFZSA-N 483.634 5.249 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC(C)C)cc2)n1 726416084 RTBXAVUGDVAAAC-XMMPIXPASA-N 488.613 5.338 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3cccs3)C2=O)cc1 726421403 QGFXCXIAJJAEIS-QQDOTYKZSA-N 497.667 5.602 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)[n+]2ccccc2CC)c1 726573317 XIYJFAJGLBYYDE-UHFFFAOYSA-O 477.609 6.633 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(OC(C)C)cc2)[n+]2cccc(C)c2)N=C1C 726574861 VIKLYQGPPFUUBN-UHFFFAOYSA-O 464.611 5.387 30 20 JKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 726763515 UNZYZZFJYYVEEQ-UHFFFAOYSA-N 452.963 5.645 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCCC2)cc1 727156090 OVMWPBVKIBGZMD-UHFFFAOYSA-N 451.523 5.135 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 727632250 ULPPYLQAIHTFAM-AWEZNQCLSA-N 452.404 5.796 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(OCC#N)cc1 727650374 KDWWPMGNPZGUTR-XMMPIXPASA-N 498.608 5.366 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)cs1 728157489 XMKKGQAPYQKJRY-YHYXMXQVSA-N 494.466 6.235 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1C 728424294 YBVAXWIBXPWABM-YADARESESA-N 483.597 5.292 30 20 JKED CCOC(=O)C1C/C(=C\c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C/c2ccc(O[C@H](C)C#N)cc2)C1 728696883 HBDXJVRUWROOFC-BSDFXCPASA-N 484.552 5.278 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)c1 728780737 XZYZZAWVZLFNCO-FQEVSTJZSA-N 490.963 5.581 30 20 JKED CC(C)c1nc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)nn1-c1c(Cl)cccc1Cl 729024358 NVDVHNGIYGNALO-UHFFFAOYSA-N 492.750 5.018 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)nn1-c1c(Cl)cccc1Cl 729068272 PQZQFWXEFVURMM-AWEZNQCLSA-N 476.751 5.312 30 20 JKED C[C@H](OC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F 729660585 NWPYUZDZWVAAFK-OMMCCPJFSA-N 467.312 5.586 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2-c2ccccc2)c(F)c1 729818331 PHQCGJFAEVAONA-VWLOTQADSA-N 498.583 5.165 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 729889907 UXKFCIILTZUASL-QHCPKHFHSA-N 479.584 5.765 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1 730474740 MQUBENYQTDLNHU-SFHVURJKSA-N 481.865 5.847 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 730688158 SHPXXZXKIOWRAD-WMZOPIPTSA-N 470.641 5.351 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1[C@@H](C)c1cccnc1 730942688 VCICOQNCSYXLQN-YADARESESA-N 487.629 5.178 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 730942777 XEQFSFMZQZCIHH-BTYIYWSLSA-N 499.423 6.110 30 20 JKED O=C(Oc1cccc(F)c1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 730967804 FRIAZLCIJNUEFJ-UHFFFAOYSA-N 453.701 5.375 30 20 JKED Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c(F)c2)cc1 731078221 NKFOJYQHOKIFEK-GOSISDBHSA-N 462.546 5.991 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cc2ccccc2[nH]1 731310788 PXWDLHAYNPNELR-XMMPIXPASA-N 484.581 5.342 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 743294450 JOPJZAGEUSCVKX-HSZRJFAPSA-N 491.592 5.389 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cc3c(ccc4ccccc43)o2)cs1)c1ccc(F)cc1F 746006750 UAUYNMUQCRVOBE-NTMALXAHSA-N 474.488 6.901 30 20 JKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc2cc(C(F)(F)F)ccc2s1 747111376 FXDAUUDPZFGZOH-ZDUSSCGKSA-N 479.530 6.141 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 750706135 QDULYPWVABNJFU-IBGZPJMESA-N 472.545 5.078 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)cc(Br)c1OC(F)F 750914591 YIDTZFZZLAFDHV-CLTKARDFSA-N 466.278 5.230 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccccn2)ccc1Cl 756433613 FECIMFBXEHMIHA-UHFFFAOYSA-N 462.358 5.022 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(Cl)c1 799222207 YAEOQAAMLUISHR-QGZVFWFLSA-N 479.961 5.248 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)c1C 837401713 JOGWYIBCVSOAIH-DEOSSOPVSA-N 478.662 5.137 30 20 JKED CC1(c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 856571783 HVXZIABRLUSMDE-LJQANCHMSA-N 482.028 5.049 30 20 JKED CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C2)ccn1 856632396 NVBODJJVPMUNAY-RUZDIDTESA-N 490.991 5.144 30 20 JKED CS(=O)(=O)c1ccc(-c2noc(-c3ccc(Oc4ccccc4C#N)c(Cl)c3)n2)cc1 904541840 ATFYYLIVBOARMF-UHFFFAOYSA-N 451.891 5.124 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccccn2)C1=O)NCc1ccccc1 914550001 LKLBWEUNKGYDGL-OAQYLSRUSA-N 499.423 5.227 30 20 JKED CC(=O)N(c1nc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cs1)c1ccc(F)cc1F 914557790 KTZIIXDCAFMWNE-JYRVWZFOSA-N 467.472 5.939 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 915103335 SSPCXZOTSDNLEE-PKOBYXMFSA-N 458.370 5.561 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 915353219 RTEQTPKHGKNNIG-AREMUKBSSA-N 452.558 5.290 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3ccccn3)C2=O)c1 916205802 MCUZTAJCDOHMMN-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(C)c1 916206587 PKCYXYFJBYFTQC-OAQYLSRUSA-N 490.025 5.044 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccccn2)C1=O)Nc1cccc(Cl)c1 916209408 KULQKONNDOCUDW-NRFANRHFSA-N 482.968 5.077 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cccc(Cl)c1 916215530 XEHBQHMBTKVYLF-FQEVSTJZSA-N 475.998 5.118 30 20 JKED Cc1sc2ncn(N=Cc3ccc(OCc4ccccc4)c(Br)c3)c(=O)c2c1C 916311046 XUSCYPFKAKWFPR-UHFFFAOYSA-N 468.376 5.299 30 20 JKED O=c1c2cnn(-c3ccccc3)c2ncn1N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 916318907 PRQLGUPGCIYEIG-UHFFFAOYSA-N 497.518 5.063 30 20 JKED CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 916449213 AAZRUVAVUCGWEO-UHFFFAOYSA-N 485.565 5.109 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1ccc2ccccc2n1 916849282 OAEJDFCGFLJUKA-SQJMNOBHSA-N 457.327 5.994 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2)n1 916886394 GHFLOGUBSUVYOZ-GOSISDBHSA-N 489.594 6.020 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916886879 LADARXKDUZGUHI-GOSISDBHSA-N 457.527 5.323 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916902838 IEXMCZBVRNTHOS-XMMPIXPASA-N 460.961 6.005 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 916903437 SPDQCCNTJXDUJK-GBXCKJPGSA-N 486.959 5.312 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(COc2ccc(F)cc2)nc1C 916903457 OBZQMMGGLDBDMO-HXUWFJFHSA-N 465.550 5.256 30 20 JKED N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1Oc1ccccc1 916906947 FXTAQGGQXFDKGB-IBGZPJMESA-N 470.472 5.937 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 916909788 QZUYVNUWZREIMG-KRWDZBQOSA-N 454.404 5.224 30 20 JKED Cc1cccc([C@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC(N)=O)c1 916996188 HUSRCGKHOYFPTQ-AEFFLSMTSA-N 473.385 5.401 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)OCc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996198 HYDUBNKDTVEBIX-SFHVURJKSA-N 488.396 6.000 30 20 JKED CCc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(CC)CC)cc2)cc1 917614166 ZZSANCOXDFUZON-UHFFFAOYSA-O 456.635 6.635 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)ccc1OCc1ccccc1 917645418 YXWXHDJVEZMIKU-UCQKPKSFSA-N 458.564 5.552 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917676279 OWVXUHJCYPFWAP-LJQANCHMSA-N 473.982 5.701 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)s1 917704096 SDJBAZVFTOKBGS-NRFANRHFSA-N 460.584 5.089 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917704424 UWRPVAWXKHQQIM-FDDCHVKYSA-N 472.570 5.133 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)c(=O)oc2c1 917774818 SZXGPGNBKFYYPB-UHFFFAOYSA-N 470.550 5.380 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 919906273 UQHCJQDKBCPPOY-UHFFFAOYSA-N 450.539 5.180 30 20 JKED Cc1cc([C@H](C#N)C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)nc(C)n1 920108963 ZOOTUFUHLZUPHM-INIZCTEOSA-N 450.329 5.293 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccc(C)s1 920168288 KBHUGNWDQSOGFB-KSFYIVLOSA-N 497.617 5.926 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c2ccccc21 920336858 ZTYJPMFWLOLGJI-UHFFFAOYSA-N 479.561 5.759 30 20 JKED Cc1c(C(=O)/C=C\c2ccccc2OCc2cccnc2)nnn1-c1cccc(Br)c1 920388664 HIIPBCRXUJRJHI-QXMHVHEDSA-N 475.346 5.208 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c(OC)c1 920668942 MENNRFOKXZCYHR-SFHVURJKSA-N 497.551 5.227 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC2CCC2)C1=O)Nc1ccccc1C(F)(F)F 920927733 VZWDTBWKZADFSI-LJQANCHMSA-N 479.499 5.605 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H](C)COCC(F)(F)F)C2=O)cc1 921253477 PVCFVMDOBZIMHN-KXBFYZLASA-N 497.514 5.062 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3cnc4ccccc4c3)cc2)CCC1 1786034741 IZUGWCSDSOIRRS-HXUWFJFHSA-N 472.589 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)cc2)CCC1 1786138528 ISSXFIKIAFKNMG-SIKLNZKXSA-N 469.626 5.050 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](c3ccc(Cl)cc3)N(C)C)CCC2)cc1 1786367421 NNWLLONJTCPRME-RUZDIDTESA-N 484.040 5.060 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccccn4)cc3)CCC2)c1 1786963649 MBWWFXYGGYTUMX-HXUWFJFHSA-N 452.558 5.089 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4[nH]c5ccoc5c4-c4ccccc4)CCC3)cc2)CC1 1787881074 GOZGBEJYHLYVJO-UHFFFAOYSA-N 464.525 5.479 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4noc5c4CCCC5)cc3)CCC2)c1 1788439906 GHICWXRHSBREPA-GOSISDBHSA-N 468.557 5.242 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)CCC2)c(Cl)c1 1788900458 GCIZYCPCVGVODL-UHFFFAOYSA-N 487.943 5.044 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)cc5cc[nH]c45)cc3)CCC2)CCC1 1788992179 XHAJZQYHWIUDTA-UHFFFAOYSA-N 491.389 5.372 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccccn45)cc3)CCC2)cc1C#N 1788995436 CGADTGZIEFODJO-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789201616 WFVPHSNBJPIBOS-NFBKMPQASA-N 483.653 5.512 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nc[nH]c5c4)cc3)CCC2)cc1C#N 1789278703 NWYPYLNNCHGZPY-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn(C)c5ncccc45)cc3)CCC2)c1 1789400260 VPXJVXPVHAIKOC-LJQANCHMSA-N 477.568 5.262 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CCC1 1789905654 VMPCLGPYTXTKMT-UHFFFAOYSA-N 479.433 5.084 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)Cn4ccc5c(F)cccc54)CCC3)cc2)c1 1790072489 AXVZBYLOBNQTLI-UHFFFAOYSA-N 496.542 5.109 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1 1790566564 BKPNGQJSTNMEFK-OAHLLOKOSA-N 455.605 5.511 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4=NO[C@@H](c5ccccc5)C4)CCC3)cc2)cc1 1790707699 PKWAKIXSTTYJAF-AREMUKBSSA-N 478.552 5.018 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccc(Cl)cc5n4)CCC3)cc2)c1 1790795884 FCOBFKZDEWBWPW-UHFFFAOYSA-N 483.959 5.229 30 20 JKED Cc1ncc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)s1 1792126282 DKSRKOSILJSEMV-KRWDZBQOSA-N 458.587 5.069 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCC=C3F)cc2)CCC1 1792376308 WYSQHLWZVQBIKR-AREMUKBSSA-N 472.652 5.917 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1Br)C2 1793053470 PGRAGKMKOYZQDP-BJWYYQGGSA-N 465.819 5.123 30 20 JKED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c1 1799283905 KPEZDBFKKBDCHL-KOUNCHBCSA-N 489.959 5.046 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@H]42)C3)c(Cl)c1 1800689160 RCYQYHFOQWXOMK-VMQUQCCTSA-N 454.014 5.070 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)ccnc2c1)c1ccccc1 1800880931 CCVYXGYBCCFHIS-UEQSERJNSA-N 486.015 5.337 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Cl)cc(Br)c2[nH]1 1801017623 JKXOBDNLCQKRHE-VDNDLQMASA-N 478.818 5.048 30 20 JKED Cc1ccc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(C#N)nc3C(F)(F)F)C4)sc2c1 1801083010 CIUAQMDKXZDSEO-BCDXTJNWSA-N 498.530 5.061 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1802500317 MKAALQRWEOGMSF-UGKGYDQZSA-N 491.529 5.552 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808160556 VZOKPVICMGOKJR-IBVKSMDESA-N 477.008 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1808889614 PECHZVNZSPIMKG-ZCYQVOJMSA-N 453.671 5.686 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)CC1 1808900986 GHWXYFKGFOLCAC-BDYUSTAISA-N 472.633 5.074 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)oc3cc(O)ccc23)[C@@H]1c1cccnc1 1809277544 HODJJHLXZFXVNG-NLFFAJNJSA-N 475.589 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1810171523 GDCRUNFAXZRTGJ-OYRHQHFDSA-N 486.641 5.293 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc4c(Cl)cncc4s3)C2)CC1 1810246659 VVWPRCMFTFYTAR-UHFFFAOYSA-N 474.070 5.787 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(s2)CCC3)[C@H]1c1cccnc1 1810273474 DNNMDPMQBSIKRA-NVQXNPDNSA-N 493.749 5.003 30 20 JKED Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810273638 FEVCTRJMMGXKFA-UHSQPCAPSA-N 489.736 5.080 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 1810351734 FZBOAJIQRLCIAC-UHFFFAOYSA-N 478.596 5.087 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c(CC)nc4ccc(Cl)cn34)C2)CC1 1810755576 UOWIBLHQVAPTJI-OAQYLSRUSA-N 483.056 5.163 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302469 YIWZHXVNVWDVPX-AJTFRIOCSA-N 495.623 6.293 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1812499921 FYAMFHNUDJQEOF-XUZZJYLKSA-N 480.052 5.465 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1812673364 SQIPDOUFWSLYEP-SIKLNZKXSA-N 491.966 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(SC)cc2)[C@@H]1c1cccnc1 1813239280 ULXFUWUZTQDLFF-RDGATRHJSA-N 465.663 5.044 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1)C(F)(F)F 1814303636 UHBCPJLWVWMVAG-ATIYNZHBSA-N 495.545 5.300 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc3ccccc3c2)n[nH]1 1816826195 LFBCXBABYDSDKA-NOZRDPDXSA-N 456.590 5.566 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccsc3)n[nH]2)cc1C#N 1817526800 SSSJYVLTHQUPEG-QFIPXVFZSA-N 491.617 5.069 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817764723 GKBGMWFIHLQLJI-VGSWGCGISA-N 461.541 5.129 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)n[nH]1 1817793836 VJIVKTXVWWXCHF-VWLOTQADSA-N 494.599 5.453 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1819305877 QILXUWNTJHQFGK-QPPBQGQZSA-N 487.579 5.685 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)n[nH]1 1819413277 NTBZZOGRLNTRSR-HGSOSGBHSA-N 464.635 5.282 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)cc1 1819479904 XEMBPOADXMAOGV-ULPGGUMISA-N 495.583 5.403 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(N(C)C)c(F)c2)[nH]n1 1819556099 SRHYPNBCUFZTPP-FQEVSTJZSA-N 473.568 5.052 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)c1 1820232147 KKPXQXSHSHDZON-NRFANRHFSA-N 491.910 5.440 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(OC)cc3)CCC2)n[nH]1 1820848562 BSXQOSSHSAPQNJ-ISKFKSNPSA-N 476.621 5.301 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821182311 MYUOZLNDUQVFHE-LJQANCHMSA-N 485.466 5.016 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)[nH]n2)c1 1821274214 OAYUSAJEWUSYOF-FTRWYGJKSA-N 491.489 5.095 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)cc2s1 1821440704 QMUUDKDRTRKHCF-OAQYLSRUSA-N 495.725 5.618 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)c1 1821507580 JBCGVXZTYHASMB-OPAMFIHVSA-N 499.596 5.577 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2Br)n[nH]1 1821870845 YMDBJLIUCWINNE-IFXJQAMLSA-N 493.833 5.273 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1821923225 VCOHGWBUGRZCST-IIBYNOLFSA-N 472.549 5.064 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823211451 MKSHDOZKMVRKIL-NLFFAJNJSA-N 469.589 5.284 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)[nH]n2)cc1C#N 1823292938 WOHDCSJYTLCBTA-HSZRJFAPSA-N 497.555 5.434 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2C(F)(F)F)n[nH]1 1823302774 PNHNNQHMNSSDDB-LJQANCHMSA-N 464.463 5.067 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1823885351 QVMHUYFLJKGXQM-AREMUKBSSA-N 495.627 5.080 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824052429 MBDLTUKABYNAFY-SANMLTNESA-N 499.611 5.185 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1824052672 RPWLPBSURHIQGR-LJAQVGFWSA-N 496.655 5.225 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1824142255 KBMOOELSZWBWJL-SANMLTNESA-N 463.622 5.178 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1824500233 GFTKEPNBFVOPRK-SANMLTNESA-N 493.623 5.104 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cc(C)cs3)CC2)c1 1825207435 YYTCPTKUNPJKDC-RUZDIDTESA-N 463.647 5.103 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)ccn1 1825435435 RYNBXAFSZRQLJO-XMMPIXPASA-N 493.051 5.451 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c1 1828190146 DILRDYMIQIMBMZ-NLFFAJNJSA-N 469.585 5.607 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1828349990 VJCKEZKEWHZNKP-REWPJTCUSA-N 454.014 5.191 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C)c3ncccc23)CC1)c1ccccc1 1828750205 RASYENSSDIVGEJ-LBNVMWSVSA-N 496.655 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1829066387 FDNVIDUKMZDAOW-VWLOTQADSA-N 465.638 5.402 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 1829068437 WCNKPKGQGOAQJS-SANMLTNESA-N 463.666 5.333 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829572933 LRVLEZVQCOXUID-XMMPIXPASA-N 471.601 5.260 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CCC1 1829622582 MXWHXLXGPVGDFW-SANMLTNESA-N 494.639 5.533 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830017213 VRRYWQKDERHRRR-LJAQVGFWSA-N 494.639 5.513 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)ccc1F 1830362704 BUDLAQMQJBRMFR-GDLZYMKVSA-N 497.614 5.255 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)cc1 1830628810 WUOCKINAALUYLI-HSZRJFAPSA-N 499.533 5.198 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978792 WSCGHKQAKWXMCY-SANMLTNESA-N 485.628 5.855 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831236159 WXQYUUNJQDXOFK-DCLXLUIPSA-N 494.598 5.106 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1831370651 NWEMIMUHTVKYOK-JTSKRJEESA-N 486.454 5.376 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831476420 WPYGIPLBNAXFDN-KBQHCZQWSA-N 467.053 5.138 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831728111 RNULRDDJKTWHTF-UQBPGWFLSA-N 453.602 5.072 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1831925114 VHEUREDIIGTAHN-NLFWHDTNSA-N 490.619 5.220 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCCCCCC(=O)OC)CC1 1832932994 ZWFYNXKTSQASLX-DEOSSOPVSA-N 462.675 5.256 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832977313 BQAZLOSYCFOFGF-GJZUVCINSA-N 474.979 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)/C=C/c3cc4ccccc4o3)CC2)CC1 1835439629 OBHMXQQMLPQDHD-MDZDMXLPSA-N 477.649 5.010 30 20 JKED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCCc1ccccc1 1847815413 ZIAJUUDDMYXXPT-UIOOFZCWSA-N 454.655 5.144 30 20 JKED C=CCn1c(SCC(=O)OCc2ncc(-c3ccccc3)o2)nnc1-c1ccc(Cl)cc1 9414568 GTMLJMVSFXXDGZ-UHFFFAOYSA-N 466.950 5.275 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 10830181 PAVGCURKSJTUSA-UHFFFAOYSA-O 452.770 5.691 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccccc1C(F)(F)F 11157256 HVCCNSFODDGOQD-UHFFFAOYSA-O 460.545 5.562 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)n(C2CCCC2)c1C 12230998 ANIXXMLJINJXTN-UHFFFAOYSA-N 495.674 5.010 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccc(N(C)C)cc2)c1 14871985 BRYPAQQVTAZBEW-UHFFFAOYSA-O 473.449 5.960 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)C(C)(C)c2ccccc21 20790566 WXYZWYLBFNIZIG-GFHXCNCHSA-N 480.659 5.158 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1ccoc1C 21140654 RXFIRXMNTAVAAV-OAQYLSRUSA-N 472.614 5.742 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)cc12 21459696 YZUFCJOAWSGHBP-OAHLLOKOSA-N 478.961 5.164 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1cc(C)ccc1C 22729636 CNCLYTKJMVQNMB-UHFFFAOYSA-O 458.434 6.511 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1[C@@H]1COc2ccccc2O1 23517747 XVRMVLQHVBMEGO-VGSWGCGISA-N 478.618 5.221 30 20 JKED COc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4CCC[C@H](C)C4)cs3)s2)cc1OC 28677929 IZJXEFAEZANTEW-AWEZNQCLSA-N 472.636 5.460 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc(C(CC)CC)cc2)cc1 28793696 HTNHXIPKKJCQTA-UHFFFAOYSA-O 490.693 6.639 30 20 JKED Cc1ccc(-n2ncc(/C(O)=N/c3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)c2C2CC2)cc1Cl 28934557 TZUHPZDAFXTVIQ-HOTGVXAUSA-N 486.041 5.414 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2c(F)cccc2F)c1 57358987 WLMIHAIBVWPYPL-UHFFFAOYSA-N 462.905 5.252 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 195648254 VTKWJHUHRYYNAD-HNNXBMFYSA-N 455.967 5.171 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)cc2)cc1 302974744 DRSZALGLARJCCP-UHFFFAOYSA-N 473.941 6.570 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(Cn4ccnc4)cc3)cc2Cl)c1 303217946 UCYQNZSJTNNPFD-UHFFFAOYSA-N 471.948 5.357 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 480409788 ULWBKTVMZYCPTN-INIZCTEOSA-N 466.463 6.021 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)[C@@H](CC)c1ccccc1 484854951 JFTKCHAOSPVGHV-DEOSSOPVSA-N 456.546 5.382 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CSCc2cc(-c3cccs3)on2)cc1 488578760 HOGITKOBDZRBSP-UHFFFAOYSA-N 451.495 5.099 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)CC(F)(F)F)nnc1-c1cccc(C)c1 498408770 GRQVCVBGWFSMAS-UHFFFAOYSA-N 460.525 5.123 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(NC(=O)c4cccnc4)cc3)c2)cc1 501134453 PUYPIULCXRXATQ-UHFFFAOYSA-N 491.551 5.301 30 20 JKED CSc1nn(-c2ccccc2)c(NC(=O)COc2ccccc2Cc2ccccc2)c1C#N 501746280 OBLWJENOMOSOJR-UHFFFAOYSA-N 454.555 5.074 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1NC(C)=O 502366616 NCSYQBNLYHKWAM-OAQYLSRUSA-N 462.937 5.284 30 20 JKED C[C@H](CNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1ccc(F)cc1 503368015 MPTMYFMAMGZPDR-SNVBAGLBSA-N 494.798 5.631 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1 505649039 YXXHVSXTEKRCQR-UHFFFAOYSA-N 479.514 5.148 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CCC2 509711912 GOLYGTHGIMKJFA-CBAAQYGVSA-N 469.585 5.751 30 20 JKED CCCN(CC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 510762468 JJCFJEQTSTWPAJ-UHFFFAOYSA-N 474.417 5.154 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)s1 513653461 FJLIZVOBSPTWED-OAHLLOKOSA-N 482.359 5.465 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2Oc2cccc(Br)c2)cc1 515125445 BVGUGCFIBCEZNE-UHFFFAOYSA-N 467.323 5.196 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 515878830 AGPGHKVKCAZUTP-NOZRDPDXSA-N 457.961 5.510 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 515962537 PRWJTKACQBCDIM-RUZDIDTESA-N 484.556 5.145 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1Cl 516346832 UAJMSBQXERRRRD-NZJKTDFXSA-N 487.987 5.218 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)n1 516378564 GMIAVTUGTMJUPC-HNNXBMFYSA-N 488.560 6.087 30 20 JKED Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 518140454 RTQBYRQKHVMZFW-INIZCTEOSA-N 483.590 5.439 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccccc1SCCC#N 518649597 DDCSXKWWIUHQJD-UHFFFAOYSA-N 473.982 6.359 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccc(Cl)cn4)CC3)cc2Cl)cc1 521453135 DDXQFNRYVVNOTJ-UHFFFAOYSA-N 468.344 5.406 30 20 JKED Cc1cc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCCCC(=O)O 523870064 OWICRGMTEDOBOS-JOCHJYFZSA-N 498.988 5.348 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1-c1nc(C(C)C)no1 524388229 QPLVHQAJLIJEEQ-UHFFFAOYSA-N 452.514 5.871 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 557728941 ZRHSTTSDMKTQPS-RTBURBONSA-N 469.630 5.245 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 603609405 XBBHJAZVJOQYED-NRFANRHFSA-N 453.567 6.012 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)cn2)cc1 603763852 ISYUMHMZHSONLH-VWLOTQADSA-N 496.954 5.899 30 20 JKED N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 604053248 QQDHQGQUTVAQIM-GOSISDBHSA-N 455.370 6.120 30 20 JKED COc1ccccc1NC(=O)Nc1cc(NC(=O)c2cc3ccccc3n2CC#N)ccc1OC 609167109 RBWYWINNHSPKLQ-UHFFFAOYSA-N 469.501 5.078 30 20 JKED N#CCn1c(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)cc2ccccc21 609168492 VCPYZLZOPACNOZ-UHFFFAOYSA-N 454.917 5.160 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 609207308 ZYAXESQBGALSPU-UHFFFAOYSA-N 479.540 6.121 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609326891 ZSRCWGLUIVJPSM-QGZVFWFLSA-N 481.599 5.049 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 609369996 WDPBMTBIHWLHQI-GOSISDBHSA-N 489.626 5.569 30 20 JKED N#Cc1ccccc1COc1cccc(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 609432725 NHWCIWDJHXUVJW-AREMUKBSSA-N 493.529 5.609 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(C#N)cc1 612052225 AVLJEDAUOICMLQ-UHFFFAOYSA-N 476.989 5.026 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(C)=O)c(SC)c2)nnc1-c1cccc(C)c1 613930187 GYYSBRONRWQNFZ-UHFFFAOYSA-N 452.605 5.095 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 642252178 SGOOOMIEGVGUHL-VWLOTQADSA-N 470.598 5.536 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCSc3c(F)cccc32)nnc1-c1ccc(Cl)cc1 680815285 SDOWDACJRHMWSA-GOSISDBHSA-N 475.014 5.369 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 726322335 VJZUCJILTXREJQ-QRQCRPRQSA-N 470.504 5.812 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)c1 726419295 DNXIQCPFRUDRFO-SYGSHIDXSA-N 494.642 5.050 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCCC1)c1cccs1 726420839 JNBLAZMOLJWMAU-XDDRMFMYSA-N 495.592 6.099 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc(OC)c(F)c1)c1ccc2c(c1)OCCO2 726446360 ZNEZELQQVUILSR-UHFFFAOYSA-N 480.561 5.574 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726699941 GVPWWOFPRKYTPL-UHFFFAOYSA-N 452.511 5.113 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726722926 YNPWLVAFZHKUJU-UHFFFAOYSA-N 455.958 5.370 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1c(F)cccc1F 727626906 IPCPKBXVDGOCNI-RDTXWAMCSA-N 494.350 5.839 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)c1 728012589 IFIKDDIBJKNIKZ-UHFFFAOYSA-N 495.283 5.785 30 20 JKED COc1cc(OC)c(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1 728121980 RTWKPXHWGRQQMN-UHFFFAOYSA-N 481.936 5.138 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cn1 728269079 YAIHWSQAJRBIIR-UHFFFAOYSA-N 482.540 5.100 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCCCC#N)C1=O 728777704 MWRLORXEAWKBAX-FQEVSTJZSA-N 498.992 5.001 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(Cc2scnc2C)C1=O 729146553 STOGNIAYHHDELE-FQEVSTJZSA-N 498.605 5.068 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CC2)cc1 730499129 QXSSCHIPIBJGOA-GOSISDBHSA-N 477.558 5.133 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1CC 730526923 XEPDUZXKNSANRV-LJQANCHMSA-N 461.509 5.414 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c1 730529447 WDNLAODGSVISAX-NRFANRHFSA-N 451.523 5.142 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)C2(c3ccccc3Cl)CCOCC2)n(C2CCCCC2)c1C 730649929 RPTSIHLXVBJXML-UHFFFAOYSA-N 498.023 5.365 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1F 730687764 VPDSDOCVABBPQK-CQSZACIVSA-N 482.537 5.252 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730717561 ONONIABIQVWYEI-LJQANCHMSA-N 489.384 5.450 30 20 JKED O=C(COC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)c1cc(F)ccc1F 731103232 XAQVJFRPOJOANI-UHFFFAOYSA-N 495.738 5.195 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 731399883 ICPTWJPVWNVTTO-VWLOTQADSA-N 490.604 5.994 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743449608 SOPRCAHEPYIQLG-QGZVFWFLSA-N 472.397 6.203 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2c(-c3ccccc3)[nH]c3ccccc23)c1 744796044 CTCGHWSYOLKJNR-UHFFFAOYSA-N 455.543 5.185 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 748617777 DDUPRIDUJSOPLY-HXUWFJFHSA-N 465.410 5.333 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 749361050 GSDRMVIZTKJZGR-UHFFFAOYSA-N 458.521 5.659 30 20 JKED CC[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 749613777 YJDQFNBOHRFZGY-VWLOTQADSA-N 482.005 5.158 30 20 JKED COc1cc(I)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 751083506 JLLBFBCGNZYLBB-LJQANCHMSA-N 498.320 5.216 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)n(Cc2ccccc2)c1C 761210167 FPZHERFNPVIKSU-UHFFFAOYSA-N 456.329 5.127 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 812455920 YLPRKRVPMINXJN-UHFFFAOYSA-N 465.560 5.282 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2nc3ccccc3o2)ccc1Cl 825483066 TVCASCKXFPSNER-UHFFFAOYSA-N 481.961 5.139 30 20 JKED N#Cc1cccc([C@@H]2NC(=O)N(Cc3ccccc3)C(c3cccs3)=C2c2nc3ccccc3[nH]2)c1 839409861 NMTSVXVXVLNZCW-SANMLTNESA-N 487.588 6.331 30 20 JKED Cc1c(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)sc2nc(C(F)(F)F)ccc12 914680155 ONAOVVKTXIDXPN-JTQLQIEISA-N 479.505 5.229 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnc1-c1cccc(C)c1 915086853 NYWNZSFBKPYBTP-DEOSSOPVSA-N 467.598 5.660 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104586 SPMWOPUICBKOMB-HNNXBMFYSA-N 465.884 5.355 30 20 JKED CC(=O)N(c1nc(C=NNC(=S)Nc2ccccc2C(F)(F)F)cs1)c1ccc(F)cc1F 915927660 QQIRNUPTLAWBGV-UHFFFAOYSA-N 499.490 5.445 30 20 JKED C=CCN1C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166371 DAXOKMOUFIXXST-LJQANCHMSA-N 481.421 5.472 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c1C 916207511 FRPOEOCLWDIECQ-OAQYLSRUSA-N 451.523 5.196 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(Cl)cc1 916212286 VWCCWKKCZLQZTQ-SFHVURJKSA-N 499.942 5.356 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C[C@H]2CCCO2)cc1 916213051 XDEPHHOIKRWMCS-RPWUZVMVSA-N 473.598 5.288 30 20 JKED CCCC(=O)Nc1ccc(O)c(C(C)=NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c1 916314132 XFYUIDMNKZUCTI-UHFFFAOYSA-N 465.575 5.108 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916719635 GCYAQMWGXGGGHA-UPWLQVFWSA-N 499.662 5.114 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2s1 916847383 DSTRNFNVJRNRKG-GCJKJVERSA-N 463.356 6.055 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(I)c1 916906781 VOIQZMLIXSKQNB-GOSISDBHSA-N 482.277 5.045 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2cc(Br)ccc2o1 916932174 RRTDVSVNHJJDIF-GFCCVEGCSA-N 452.091 5.463 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1Cl 916940463 MVKFPJFQVOMDNI-INIZCTEOSA-N 485.924 5.071 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916946170 MRNQZRMYFYXKNR-FQEVSTJZSA-N 470.287 5.346 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916954176 XFOCINWHMGMLCU-ZTSSLWBESA-N 456.342 5.094 30 20 JKED C=CCOc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 916977198 MQLDULVJXCDBKZ-CUPZGDSWSA-N 450.947 5.927 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 917026727 NJSDQYGTEIOUMM-GOSISDBHSA-N 450.361 5.781 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2cccc(O)c2)C=C1 917611163 UXEHOJBKMOGPNG-UHFFFAOYSA-O 484.601 5.563 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc2ccccc2c1 917698792 FLKNGQLYIXUROB-XMMPIXPASA-N 491.613 5.235 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cccs3)C2=O)cc1 917703610 NQHPNLDAHAMANS-NRFANRHFSA-N 460.584 5.089 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1cccc(C(C)C)c1 917709256 MWQWMKKLQSLRCT-QHCPKHFHSA-N 467.635 5.004 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccn(-c2cccc(Cl)c2)n1 918486878 GSDYDZKJTFJEFR-HXUWFJFHSA-N 456.889 5.279 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1csc(COc2ccccc2)n1 918711263 UCAMAUQDUVYTNB-UHFFFAOYSA-N 492.413 5.370 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 920109435 FZGHOAODPXJJHB-KKSFZXQISA-N 489.984 6.117 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cn(C)nc1-c1cc2ccccc2o1)CCCCC3 920365652 YLDIZAUGIIHHGW-UHFFFAOYSA-N 457.559 5.064 30 20 JKED N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCc3c(ncn3-c3ccccc3)C2)c1 929076102 PGAFQXSFTLOXCX-UHFFFAOYSA-N 454.917 5.388 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4)cc3)CCC2)c(Cl)c1 1785758127 GVNFBNNYOUZBGA-UHFFFAOYSA-N 465.340 5.322 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CCC2)cc1 1786365847 SUEOAULMOHVNMH-FCHUYYIVSA-N 468.544 5.185 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786370836 FXXCWAPKQBPGQS-QMCNGJBUSA-N 473.617 5.090 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)CCC2)cc1 1787649590 NNCUEWNSIKWNHV-UHFFFAOYSA-N 497.639 5.581 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c[nH]c5nccc-5c4n3C)CCC2)cc1 1789455756 BZSOVFOFINWBQM-QFIPXVFZSA-N 481.600 5.522 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nccc(Cl)c3OC)CCC2)cc1 1789456303 RTANJLURLJGVGZ-IBGZPJMESA-N 453.970 5.260 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1789457971 INSZMORBYSMFJN-DEOSSOPVSA-N 455.558 5.858 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]34C[C@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1789458213 QDHCVQRDYAWBDH-NWKHUOOYSA-N 493.648 5.288 30 20 JKED Cc1nc2cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(F)c(C#N)c5)cc4)CCC3)ccc2s1 1790520522 YNMZQBDLFFIKRJ-UHFFFAOYSA-N 498.583 5.606 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Br)cc3)cc2)CCC1 1791459338 DSCRLPVHQPXEGR-OVCLIPMQSA-N 451.364 5.010 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CCOc3ccccc3Br)cc2)CCC1 1791478291 AZIZCTFLSZBERZ-UHFFFAOYSA-N 483.406 5.156 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C(F)(F)F)CCC2)cc1 1791728901 QQJKWZYLKQSZPW-UHFFFAOYSA-N 471.523 5.361 30 20 JKED C[C@@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791913650 OICVZAOCEQQILE-PMACEKPBSA-N 455.558 5.533 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CNc5ccccc54)CCC3)cc2)c1 1792122176 DVBHXGBONKIKEJ-CLOONOSVSA-N 464.569 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5cc(Cl)ccc5n4)CCC3)cc2)c1 1792123893 SVJPAUSOFUVJSA-SFHVURJKSA-N 497.986 5.676 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c2ccccc2n2ccsc12)c1ccccc1 1799130799 NYIFBQGRFLDEDY-UEQSERJNSA-N 495.648 5.603 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1802500308 MKAALQRWEOGMSF-DENIHFKCSA-N 491.529 5.552 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Cl)cc(Br)c3[nH]1)C2 1802631595 YWJYQBQJGHVUSF-BCDXTJNWSA-N 490.829 5.029 30 20 JKED Cc1c(Br)ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)c1F 1803678679 GVYGTINXTNHWLB-GAZPGATBSA-N 498.396 5.089 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)C1 1806676811 ISEZLLDCVRYZPG-UHFFFAOYSA-N 484.612 5.396 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC=C(C)C)[C@H]1c1cccnc1)c1ccccc1 1807985713 ALDYFLDPBZEQDE-UNCTUWKVSA-N 457.618 5.031 30 20 JKED O=C(/C=C/C(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1)c1cccs1 1808974422 HBQHONRZMDXAMG-WGGMLVHQSA-N 495.604 5.055 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3csc4c3CCCC4)[C@@H]2c2cccnc2)c1 1809786921 LGPRHKHFKDSDOJ-HEXNQTKTSA-N 498.652 5.282 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1810171955 JHDSKJGIHYZDPU-IPVFLDMMSA-N 489.019 5.371 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1810277115 MJNMNFLRGHDKIY-WCJSSBDLSA-N 479.741 5.109 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1810489719 NFVLVXAWKPXRRH-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(C)C)nn3ccccc23)[C@H]1c1cccnc1 1810495710 VNNYKPUVGITWQH-GJZUVCINSA-N 487.648 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1810500516 RLOXEDRMSAANJG-REWPJTCUSA-N 479.621 5.747 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810501203 AMWHQKMIUAASFL-NZQKXSOJSA-N 498.549 5.284 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(Oc4ccccc4)cc3)[C@H]2c2cccnc2)C1 1810717828 UDDNAYSIKYBSMO-YIXXDRMTSA-N 467.569 5.160 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)cc1 1811365086 NOWRMPXFDOGZQF-ZJSXRUAMSA-N 493.394 5.088 30 20 JKED Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c1Cl 1811426373 VFRGIVNMAISULC-NTKDMRAZSA-N 493.394 5.202 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)c2[nH]1 1811745827 NUMVVWGBYCPUIL-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1812200021 RIKVYZTYPBLOFB-WMZHIEFXSA-N 477.630 5.314 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1812590287 GYLOLUYBHMEREB-HTZUNMPGSA-N 464.368 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccnc1 1813748028 KPGUACTUMWOLTE-CVDCTZTESA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(OC)cc2)[nH]n1 1814440380 SEHSEXYKFMIYIN-AVRDEDQJSA-N 452.599 5.207 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)cc1 1814498289 VUZVBPIFDYGNJJ-GOSISDBHSA-N 475.599 5.106 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1814569269 JSSMQPOVPXFYBP-FQEVSTJZSA-N 486.601 5.475 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[nH]n1 1814829127 NSUQGUMDSQMODI-IGQYLQMFSA-N 487.604 5.374 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC#N)n[nH]2)cc(C(C)(C)C)c1 1817123070 DBQSSRCWYIVOLE-QFIPXVFZSA-N 463.626 5.614 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(CC(C)C)oc3ccc(OC)cc23)n[nH]1 1817711633 WQOWKVQOCAJYTJ-NRFANRHFSA-N 476.577 5.082 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n[nH]2)cc1 1818165121 CSYANPXMELRPRY-QFIPXVFZSA-N 499.958 5.814 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cccnc4s3)n[nH]2)c1 1818575160 IMBKNEGZWGFKSD-KKSFZXQISA-N 484.585 5.266 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818594177 HIYHMSDGMKFJMH-VQIMIIECSA-N 460.600 5.024 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccc(C)cc2)n[nH]1 1818797817 VIBUDSHMWDSROL-QFIPXVFZSA-N 452.624 5.271 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819029142 HXTQHAPKEWPJGB-KRWDZBQOSA-N 479.562 5.316 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1819356341 LNCOHGZJZBVJDM-YEXLONIWSA-N 499.640 5.521 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1819386841 LWZXKIXZEZTRNP-QFIPXVFZSA-N 496.087 5.292 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cncc(C(F)(F)F)c3)n[nH]2)c1 1819930920 ZFWWXKRBFOSICW-VFNWGFHPSA-N 496.493 5.070 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)[nH]n2)c1 1820482675 BKPQQRFYRNLXEI-DEOSSOPVSA-N 482.519 5.035 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1820639157 NQEOGLVLLOQORL-RUZDIDTESA-N 485.588 5.009 30 20 JKED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)n[nH]1 1820716808 GLNAGBMINGROGL-ZPHNUYGRSA-N 487.579 5.086 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1820966238 FMJMQTZNYFGHSQ-HYVJGQCMSA-N 488.032 5.296 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1821924447 BYTSVZRGLFSAJW-VFNWGFHPSA-N 451.958 5.129 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1821983869 CPMMQLUBMWNJFG-QGZVFWFLSA-N 488.432 5.014 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1)C(F)(F)F 1821994092 QYKDHQXNCONZGI-MRXNPFEDSA-N 488.869 5.025 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1)c1ccc(O)cc1 1822469598 NXGFEGAIYIXHJD-PXDATVDWSA-N 496.567 5.365 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1Cl 1823215791 DYKALCQJCOLVLA-VGOFRKELSA-N 475.980 5.618 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2OC)n[nH]1 1823254838 LLSXPMYQASGMLL-IBGZPJMESA-N 458.990 5.370 30 20 JKED COc1cc(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1823260989 NBVDNSSIOKCFCQ-QMHKHESXSA-N 491.979 5.318 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)S)CC1)c1ccc(Cl)cc1 1824248991 KOIIJPWRGIMYEK-WTOYTKOKSA-N 451.076 5.018 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826440166 BXSXFROTZMDGTB-FQEVSTJZSA-N 489.390 5.203 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)CC1 1826496626 FNUGQDPMLRMTIS-VWLOTQADSA-N 470.705 5.039 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)cc2n1 1827277648 GMUUZCDVOUKGLT-QFIPXVFZSA-N 490.991 5.208 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684557 IKFBAKMMPWVOSR-AHUNDJPPSA-N 478.658 5.219 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1827844038 CSJDJXYCNSPYBE-HSZRJFAPSA-N 485.745 5.220 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828245597 OWVYJKGNYDPEJI-AHWVRZQESA-N 462.634 5.207 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828602178 VMPNCXVUSKRGKM-UGKGYDQZSA-N 462.656 5.228 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)CC1 1828984286 MSZRFOHIEKKPBN-BDYUSTAISA-N 465.682 5.494 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829572931 LRVLEZVQCOXUID-DEOSSOPVSA-N 471.601 5.260 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1830415441 WZVFTEVNFUHFOP-JPARSPOBSA-N 471.667 5.021 30 20 JKED CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCC1 1830754794 JIJJWBRCSDKTER-OAQYLSRUSA-N 461.528 5.001 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1831372755 JKZYAOYTBJKKOX-IIBYNOLFSA-N 476.543 5.027 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1)C(F)(F)F 1831450100 ADUJNLNVZSZNHN-OAQYLSRUSA-N 486.962 5.237 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1831858884 QDMUXQUINIYMKP-QHCPKHFHSA-N 469.423 5.412 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1832028468 UYENUZPHHRSRNB-NDEPHWFRSA-N 471.645 5.484 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1832628877 FQHIADQQHSCGNL-GKLYVUGTSA-N 491.582 5.539 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)cc1 1832629621 SSWAQDGDAYMLCO-DEOSSOPVSA-N 467.972 5.092 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1832632033 ZSVHHRARJLWIPF-PZGXJGMVSA-N 496.655 5.661 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)c1 1832633001 AXUUUASGUCQCKX-GCBXLJFKSA-N 461.650 5.683 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634582 XAKAPPLEVIKNIX-RLWLMLJZSA-N 489.664 5.201 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1 1832635702 PEPAHDPRSDGYGF-KMRXNPHXSA-N 469.629 5.738 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)CCC1 1832788553 VVPUDEOUUPKZKH-QFIPXVFZSA-N 476.448 5.240 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3nc4ccccc4[nH]3)cc1)C2 1841058216 RHZOCLHMPSUIRX-UHFFFAOYSA-N 456.590 5.039 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1 1847621207 MGMUACPMWCSETK-UBOLIHOUSA-N 490.047 5.756 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)nnc1-c1cccc(C)c1 10241120 SPKUPSGQNJTWNY-UHFFFAOYSA-N 458.587 5.354 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)nnc1-c1ccc(F)cc1 10498361 HLYTYRGFKLGMPT-DEOSSOPVSA-N 496.608 5.037 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1F 11083051 KPFSORITLIAKAR-UHFFFAOYSA-O 491.558 6.342 30 20 JKED COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1Cl 16405749 YZSDIHACHDSZHL-WUXMJOGZSA-N 466.877 5.170 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCc4sccc4[C@H]3c3cccs3)nc12 16878976 OAMBQYJSGODBHD-NRFANRHFSA-N 491.667 5.094 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)C(C)(C)c2ccccc21 20790571 WXYZWYLBFNIZIG-QWQBBLJPSA-N 480.659 5.158 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1-c1ccccc1 26979768 SQYLFUCHFUUKNZ-GOSISDBHSA-N 480.684 5.677 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)COc3ccc(Br)cc3F)c2)c1 31776873 ICIWXMLMDDCWJV-UHFFFAOYSA-N 455.283 5.056 30 20 JKED CN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=Nc1ccc2ccccc2c1)c1ccccc1 97220248 IWYQNJQEWYYMFD-UHFFFAOYSA-N 461.521 5.344 30 20 JKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cccc(OCC#N)c2)cc1 107965056 BQPBKUUJDBXSSG-LVZFUZTISA-N 461.521 5.885 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 302937822 AUBLLVGQKDZKOD-QFIPXVFZSA-N 486.399 5.051 30 20 JKED CCOc1ccc([C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccccc2)cc1 409518472 DGBNYFQIJQQHLR-HHHXNRCGSA-N 482.584 5.107 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)cc2F)c1 480967108 CRTWWBLSLWOUTP-SANMLTNESA-N 489.522 5.402 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c(C(F)(F)F)c1 487321929 LFXASEWQALJIFQ-UHFFFAOYSA-N 456.276 6.183 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c2C#N)C1 498285247 LYWRSZIPTHAMRG-QGZVFWFLSA-N 469.632 5.101 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1OC 502716870 STGWTHLBNFWAHA-IBGZPJMESA-N 492.457 5.460 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1 503068188 WWLVFHHVFPTPPO-UHFFFAOYSA-N 491.576 5.893 30 20 JKED C[C@H](NC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)c1ccc(C#N)cc1 505317437 IHDQKFBBHLESTN-FQEVSTJZSA-N 484.003 6.026 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 509517237 AODLLBRFCVJWDG-UHFFFAOYSA-N 463.585 5.590 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 510889928 KRBQPLJMHPDOFS-UHFFFAOYSA-N 472.520 5.178 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)N(CC)Cc1ccc(OCc2cccs2)c(OC)c1 510914603 HATYNDUFKUXVKH-UHFFFAOYSA-N 465.575 5.660 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1 510981077 HRPYNDOAYALSCU-QFIPXVFZSA-N 468.395 5.632 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1Br 511380735 PUYVTBPVJVQRTN-QGZVFWFLSA-N 452.146 5.125 30 20 JKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1ccc(C(F)(F)F)cn1 513191009 BHUXDJXVCBTSIC-SFHVURJKSA-N 473.248 5.584 30 20 JKED C=CCn1c(SCC(=O)N2CCC(CCc3ccc(C)cc3)CC2)nnc1-c1ccccc1OC 514357593 VKOINUDVLLUSFI-UHFFFAOYSA-N 490.673 5.412 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 514534027 BOABHYGIIACTQB-UHFFFAOYSA-N 467.598 5.335 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 515356246 HDYCVZQRHOUPMD-UHFFFAOYSA-N 470.516 5.859 30 20 JKED CCc1cc(C#N)c(NC(=O)[C@H](C)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)s1 515868233 BKRROEPRYNKEJB-SFHVURJKSA-N 497.642 5.030 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)s2)cc1 517114787 CDIXMPAPFOUESU-UHFFFAOYSA-N 477.571 5.235 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1ccc(C(F)(F)F)cn1 517306334 QKQCXNBMCNWXQB-JTQLQIEISA-N 458.284 5.538 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(CN4CCCC4=O)c3)cc2Cl)cc1 518653765 DJLXABKBGAAANV-UHFFFAOYSA-N 474.948 5.448 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 518871196 ZEFBIQUAROIGHZ-ZDUSSCGKSA-N 474.414 5.783 30 20 JKED Cc1cccc(Oc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)c1 519945114 BZIRKNJWUJBQTN-UHFFFAOYSA-N 467.485 5.725 30 20 JKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 520182985 ALSCYLCGSKVENW-LBPRGKRZSA-N 478.430 6.234 30 20 JKED CCCOc1ccc(Oc2ncccc2CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 520578499 OTPCYEHDRSOZLH-UHFFFAOYSA-N 486.572 5.287 30 20 JKED COc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1OC 521770147 ZYOJYGDTMMKSQY-MRXNPFEDSA-N 462.358 5.058 30 20 JKED C=CCN(C(=O)Nc1ccc(C)cc1OCc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 521809089 VCZWZYFYUFDJHL-NRFANRHFSA-N 468.561 5.331 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4ccccn4)nc3O)s2)c(C(F)(F)F)c1 521834383 LZEBDUUFMWTTIU-UHFFFAOYSA-N 481.459 5.039 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 521842107 KALDINOCCFSVAD-UHFFFAOYSA-N 456.546 5.266 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cn1 524383133 PPXSLRHOSQQTLF-UHFFFAOYSA-N 469.497 5.246 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccco1 553312065 SWBCIIQPHQOISD-NSMXDQILSA-N 478.618 5.133 30 20 JKED COc1ccc([C@@H](CNC(=O)CSc2nc3c(cc2C#N)CCCC3)c2c[nH]c3ccccc23)cc1 585688550 VYNJRBREOCAPCD-XMMPIXPASA-N 496.636 5.362 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 587988823 UQLOFCFROLLXOF-HXUWFJFHSA-N 479.496 5.823 30 20 JKED C=C(C)COc1cccc(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1 589382816 LVDAJQMZKYDAES-UHFFFAOYSA-N 458.942 6.309 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(Cc4cccs4)n3C3CC3)c2C#N)C1 589943812 OSNUZAKXGPZTDF-CQSZACIVSA-N 483.688 5.444 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CCC4)cc(-c3ccc4c(c3)OCCO4)nc21 590613285 LVXRKLOJZGLNIL-UHFFFAOYSA-N 485.569 5.125 30 20 JKED N#Cc1c(NC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)sc2c1CCCC2 600840959 CTICCLMONJYUJT-UHFFFAOYSA-N 491.594 5.210 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c(OC)c1 603492853 NPQNZEXDHFMFKY-UHFFFAOYSA-N 488.609 5.755 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)s2)cc1 603738814 AFNFNUHAXLZFOZ-UHFFFAOYSA-N 456.527 5.747 30 20 JKED COc1ccc(-c2cc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)n(-c3cccc(C)c3)n2)cc1 603760978 ZCDZQFMZYLFUTB-UHFFFAOYSA-N 481.556 5.017 30 20 JKED N#CCCCOc1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 603972401 BSFSOCGFLZZRGU-UHFFFAOYSA-N 481.512 5.311 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1)c1ccccc1 603990071 YKWVBKHZFVFRQF-UHFFFAOYSA-N 479.536 5.578 30 20 JKED COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604047323 OKEYCYGONOMABI-OAHLLOKOSA-N 478.936 5.410 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCN(Cc3ccccc3C)CC2)cc1 604562134 XXARUAOLBHOULK-UHFFFAOYSA-N 470.573 5.407 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 608845425 XADWFVLWZFEWON-GMAHTHKFSA-N 490.357 5.032 30 20 JKED CCc1cc(C#N)c(NC(=O)c2cc(I)cc(C(F)(F)F)c2)s1 609059678 KORZAMMCUVLZGD-UHFFFAOYSA-N 450.223 5.058 30 20 JKED CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 609080029 ROCDUOIBJDKSAO-NQIIRXRSSA-N 483.012 5.339 30 20 JKED C[C@@H](NC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)c1ccc(C#N)cc1 609356032 AJFQMNOEQOQXIV-MRXNPFEDSA-N 477.362 5.133 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 609377766 LOKDYVIMLYTUIX-MRXNPFEDSA-N 472.010 5.091 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)c3ccco3)cc2)c1 609429486 DIXJWPSQOFNSAZ-RUZDIDTESA-N 463.493 5.149 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cn(Cc2ccccc2)nc1-c1cccnc1 640536614 GUAQVKJAUYECPM-UHFFFAOYSA-N 455.521 5.041 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726422458 XPYLQSDJEOCFQU-QQDOTYKZSA-N 481.599 5.134 30 20 JKED O=C1/C(=C/C2=Cc3ccccc3OC2)CN(Cc2ccccn2)C/C1=C\C1=Cc2ccccc2OC1 726744285 ZQIBWFDEFDIMEM-JQMRRPHZSA-N 474.560 5.271 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1 728181559 OMGKMRYRBJGULQ-UHFFFAOYSA-N 486.666 5.801 30 20 JKED CC(=O)N(c1nc(COC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cs1)c1ccc(C)cc1C 728372471 NJVHICSATVNIQQ-UHFFFAOYSA-N 498.608 6.081 30 20 JKED CCCCc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)[n+]2ccc(C)cc2)cc1 728556687 VQFGBJAMNXJRLG-UHFFFAOYSA-O 496.678 5.132 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1C 729142234 IJOIPAZCNGNELR-HXUWFJFHSA-N 482.606 5.368 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C#N)cc1F 729819056 UIBPCJACESLDPP-QHCPKHFHSA-N 490.535 5.305 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1 730461567 PTWITDVLEQBTIM-HXUWFJFHSA-N 475.536 5.781 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3ccc(C#N)cc3)cs1)O[C@@H](C)C2 730690647 BFNNDWKFZVXCMN-FYXRHKGBSA-N 469.566 5.384 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730932223 NPPDHMPXNNVHCR-UHFFFAOYSA-N 471.026 5.182 30 20 JKED COc1ccc(N2C(=O)/C(=C/Nc3ccccc3SCCC#N)c3ccccc3C2=O)cc1OC 730995338 FPLWXTLMHDHTPZ-HEHNFIMWSA-N 485.565 5.350 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731308995 RTZVWSLHTKLLDC-IBGZPJMESA-N 489.981 5.407 30 20 JKED COc1cc(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccc(C)c2)ccc1S(C)(=O)=O 747065985 HJZMCRXGISLESI-OWBHPGMISA-N 486.593 5.215 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)cc1C 747600472 ARKBTZDETHRJNG-HXUWFJFHSA-N 486.569 5.199 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747601184 DQJCWDSTNVETMZ-JOCHJYFZSA-N 490.585 5.596 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2cscn2)C1=O 747604207 ZFAKJPBPUFMKDI-JOCHJYFZSA-N 494.642 5.436 30 20 JKED N#CCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)c1 751090154 YLQJOQRYNGJSRM-NYMACZPPSA-N 453.542 5.154 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 799213402 RDNMTTHLUBMPFH-OAHLLOKOSA-N 476.307 5.516 30 20 JKED C=C(C)CN1C(=O)/C(=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)SC1=S 814292145 OROMRGZPXJHGNB-GIJQJNRQSA-N 463.411 6.023 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(Cl)cc2)cn1 837788589 LBAWCOFJRFLPLY-HXUWFJFHSA-N 498.967 5.043 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1OCc1ccncc1 912788980 UZLLKVYGFUFROC-UHFFFAOYSA-N 486.384 5.405 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2C)c1 913118567 XRMOQWRVVIVXSD-XMMPIXPASA-N 486.597 5.114 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)c2ccc(OC)cc2)ccc1Cl 914477993 KGGCPEMHBIREFP-UHFFFAOYSA-N 485.005 5.397 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5n4C(F)F)cc3)ccc12 915107393 SKINTWQTFATXJE-OAQYLSRUSA-N 499.473 5.915 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1Cl 916057602 UIGIIQUADUDFMD-UZLBHIALSA-N 492.894 5.034 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccccc3)C2=O)cc1OC 916205977 MXIPUWWJHDYZOZ-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1 916214307 LYBAXJMPDCGFDO-SFHVURJKSA-N 499.942 5.356 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 916217265 JEEXCXXHIWRUHW-VQIMIIECSA-N 478.401 5.133 30 20 JKED COc1cc(C=NNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916247028 VZLSXRRAQGFENX-UHFFFAOYSA-N 477.870 5.831 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2-c2cccs2)cc1 916314386 ZYUUYFATAUMMJQ-UHFFFAOYSA-N 458.572 5.039 30 20 JKED COc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)ccc1OC(=O)C1CC1 916592614 RLZYDFUZBLSPLI-UHFFFAOYSA-N 493.972 5.293 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 916622559 ACWJNVAJVZCBST-LJQANCHMSA-N 457.580 5.280 30 20 JKED COc1ccc2cc(/C=C\C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)ccc2c1 916846832 GTJTTYCNXXMMPJ-QRGKHIHXSA-N 455.539 5.327 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916883782 UJPJKXLWGBHFTQ-SFHVURJKSA-N 470.268 5.655 30 20 JKED N#C[C@@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)Nc1ccccc1Oc1ccccc1 916908576 NABMQJMNDQHKCO-SBUREZEXSA-N 491.956 5.283 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 916911935 YMVXPXOOOMZLOW-JOCHJYFZSA-N 498.564 5.113 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 916949073 LKUHKNXWESGYKU-FOIQADDNSA-N 494.016 6.437 30 20 JKED C=CCn1c(SC[C@H](O)c2cc(F)ccc2F)nc2scc(-c3cccs3)c2c1=O 916976598 UKAWRTSLVKXDAQ-INIZCTEOSA-N 462.568 5.476 30 20 JKED Cc1cc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)CC2=O)ccc1Br 917027015 SZLPOOGRPINYCV-WMZOPIPTSA-N 480.387 5.110 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc3ccccc3c2)cc1 917611153 UNOUSEUGTXAKLJ-UHFFFAOYSA-O 482.629 6.173 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(SC(F)F)cc1 917652928 COHKRIQVHXQMRH-GOSISDBHSA-N 497.564 5.137 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 917671364 WHVZYWZLCFRMNE-QFIPXVFZSA-N 494.020 5.216 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cccs1 917707200 QMRHPFHGRXASHU-HXUWFJFHSA-N 481.002 5.434 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(OCc2ccccn2)c1 918425972 KVWQWTDCPKDNTG-RBTNQOKQSA-N 490.563 5.132 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)n(C2CCCCC2)c1C 919369039 XTOIUVASUBTCKN-DLBZAZTESA-N 453.505 5.332 30 20 JKED COc1ccccc1[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1nccn1C 919898855 GCCPWNXBDRMDTA-XMMPIXPASA-N 453.502 5.004 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-])c1ccccn1 920109832 JSKPQRGUCATGPG-LAUBAEHRSA-N 479.496 5.277 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2nnn(-c3ccc(F)cc3)c2C)cs1)c1ccc(F)cc1F 920390241 ZUZWFZFEJVRCFN-POHAHGRESA-N 483.475 5.030 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2nnn(-c3ccc(F)cc3)c2C)cs1)c1ccc(F)cc1F 920390243 ZUZWFZFEJVRCFN-UXBLZVDNSA-N 483.475 5.030 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccc(Cl)s3)n2)n(C2CCCC2)c1C 920676257 SAHVNCVZYSWMAH-UHFFFAOYSA-N 489.022 5.726 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)O[C@H](C)C2 920806148 HVHHGDUIXRRNKT-JCVMBZQJSA-N 466.509 5.700 30 20 JKED CCCCCCOCc1cccc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 920874165 BTDNZIQLDVFGKW-UHFFFAOYSA-N 477.565 5.257 30 20 JKED COc1cccc(Nc2nn(CN(Cc3ccc(C#N)cc3)CC(F)(F)F)c(=S)s2)c1 921188836 NZTXCARJAFCVBQ-UHFFFAOYSA-N 465.526 5.320 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)c1C 921253867 QFUOYAKTUJDVQM-OXQOHEQNSA-N 493.551 5.231 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCO2)C1 1779240238 BWCFWSADUNSFDJ-SANMLTNESA-N 470.997 5.036 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1 1785909027 FKKWNMYZXPYNER-HXUWFJFHSA-N 491.579 5.025 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)c1 1786040983 YKUOJJRJUCQLNF-UHFFFAOYSA-N 474.564 5.487 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1786106557 XXBVNXCVIQTCTD-HUVFLSCGSA-N 493.648 5.287 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](C)Sc3cccs3)CCC2)cc1 1786367009 PFDAUZWOQFNNCC-SFHVURJKSA-N 458.649 5.346 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccc(C)cc34)cc2)CCC1 1786781793 GJLZIJXSFILFKN-UHFFFAOYSA-N 459.590 5.136 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C)cc2)CCC1 1787364661 YGHKKRPPCKZJDA-HSZRJFAPSA-N 493.604 5.033 30 20 JKED CC(C)(C)c1ncccc1C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1788338265 WWAUYEMMQQXTRH-UHFFFAOYSA-N 482.584 5.077 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)CCCC5=O)cc3)CCC2)c1 1789041358 LUPTWUSNVALYDC-UHFFFAOYSA-N 493.563 5.147 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ccn(C)c45)cc3)CCC2)c(C#N)c1 1789060506 BHZBHPYCSPCFET-UHFFFAOYSA-N 492.579 5.049 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CC5)CCC4)cc3)cc2n1 1789219650 SOPHSENBJXRSLD-UHFFFAOYSA-N 458.949 5.248 30 20 JKED CC(C)n1nccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789801877 AJXXBNRDEFJNGS-IBGZPJMESA-N 455.562 5.153 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H](C)Oc4ccccc4)CCC3)cc2)c1 1790075537 GKUJJQDVBYFZFP-HXUWFJFHSA-N 483.568 5.172 30 20 JKED Cn1c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)ccc1C(F)(F)F 1790763699 IAOVOLDFHRCARP-UHFFFAOYSA-N 484.453 5.116 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4C[C@@H](C[C@@H]4F)N3C(=O)OC(C)(C)C)CCC2)cc1 1791252046 GTTOUMSPVRXHAI-GLBNMMOUSA-N 499.627 5.069 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)CCC2)cc1 1791253683 FJHSWPJLBHJBFC-OFNKIYASSA-N 495.664 5.370 30 20 JKED CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccccc3)CCC2)cc1)C(C)(C)S 1791521626 FCTSLRSXCKBLNO-OAQYLSRUSA-N 497.661 5.036 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)CN4)CCC2)cc1 1791727835 BIPOZKKJGZFSGH-HHHXNRCGSA-N 499.655 5.564 30 20 JKED COc1ncc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1C 1792122328 KDPKOYANGVVINV-IBGZPJMESA-N 468.557 5.087 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4OCCc5ccccc54)CCC3)cc2)c1 1792123124 JZDFZEQBZOONDL-KMRXNPHXSA-N 493.607 5.765 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(C(F)(F)F)CC1)c1cc(F)ccc1C(F)(F)F 1793925324 GMTXAKXFNZQOMM-QUZOXXGXSA-N 494.451 5.465 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(F)(F)F)nc2ccccc12 1798203133 KTJMQIKKAPSHOJ-REPLKXPHSA-N 471.523 5.274 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3Cl)[nH]n1)C2 1798420405 DLUGRRLEGSWBIP-ACDBMABISA-N 497.115 5.033 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)C2)c1ccccc1 1798554572 BOMYRHZUASUNJV-ADYITMSISA-N 499.438 5.208 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1)C2 1798593818 MYTQDGRYAYMFCE-QBMQIYCRSA-N 489.701 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)c(F)cc2nc1Cl 1799204796 QQOPEJDJXRSVEW-BJWYYQGGSA-N 475.967 5.411 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)c(C(F)(F)F)c1 1801560208 AGFSKWLYGGDDHD-BCDXTJNWSA-N 454.508 5.018 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2c2cccnc2)C1 1802406529 DFRRTQXMMVGHGO-CPJSRVTESA-N 475.976 5.281 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1802491012 FKWXGQZICRVUER-SSPYTLHUSA-N 465.663 5.261 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 1802930916 CAGUITTWNFRDGR-DFXJHMEVSA-N 463.597 5.023 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1803088672 MTHVNRZOBWSBCH-NLFFAJNJSA-N 477.605 5.523 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1803088692 FNSDPKGYEKYSHY-URXFXBBRSA-N 451.998 5.131 30 20 JKED N#CC1(C(=O)N2CC[C@H](CNC(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@@H]2c2cccnc2)CC1 1803220616 CYWNMJOTVFAOHK-PYMKTYCGSA-N 491.035 5.019 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1808852760 OMEKEGYSOIHCDH-JTUHZDRVSA-N 499.036 5.070 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)cc12 1809804880 JKYKARCFKLRVBJ-WQHXYCOISA-N 491.595 5.132 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1809846872 HUCHTYLPRFJDLV-YADARESESA-N 479.621 5.747 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810267707 NXKUAAUEENACJB-VGEDVAHYSA-N 493.749 5.304 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1810277045 KYZVNHQMMSDHDT-CUBQBAPOSA-N 487.720 5.330 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1811998536 QLZHDKYPTJZNRS-OXJNMPFZSA-N 482.358 5.228 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)[C@H]1c1cccnc1 1813051121 WXJPPDSAZFJEHT-CPJSRVTESA-N 496.449 5.091 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813057901 JOFCDGKXSPXXHW-ATIYNZHBSA-N 499.577 6.044 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1813963053 KKFDHKRZNHTSDV-AUSIDOKSSA-N 489.513 5.328 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(Br)c2F)n[nH]1 1814811923 HJYLPUQEYUFTRX-BEFAXECRSA-N 491.405 5.148 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)c1 1815243650 PQIVMQYMFCMTBD-UPVQGACJSA-N 477.634 5.040 30 20 JKED CC(C)(C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1816760647 MESDFLPYUKCZHF-GOSISDBHSA-N 461.488 5.042 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)[nH]n1 1819555741 YQJDFOWMPYYJKY-IBGZPJMESA-N 458.990 5.370 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)[nH]n1 1819557111 XYRTVERUHLBOFV-JOCHJYFZSA-N 482.625 5.044 30 20 JKED Cc1cccc(C)c1SCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1819590521 TYQWIRYULXYSQH-QFIPXVFZSA-N 491.592 5.136 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)c1 1819965172 DUTOJXYDOHCFSA-MRXNPFEDSA-N 492.363 5.408 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 1820503231 PNKAYMIEXKCAMK-OAQYLSRUSA-N 482.371 5.137 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)[nH]n2)cc1 1820548331 ATLSBFYKWMMPSJ-QHCPKHFHSA-N 484.947 5.103 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(F)c1 1821025758 VZQSYPFQUVEYFK-UZUQRXQVSA-N 459.525 5.104 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821087711 IFZFBRYBMLSDFA-WMZOPIPTSA-N 488.963 5.342 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1 1822981281 ZNYDSUVSEIJTCG-BKCZMFJTSA-N 499.656 5.008 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823218514 SGYRVDNRZVSTSM-MHECFPHRSA-N 455.562 5.219 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1823416871 QGCBFRZCYUFPIE-PXLSRWGNSA-N 467.013 5.443 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)[nH]n1 1823420119 PIKSBVOLSVKYKA-OAQYLSRUSA-N 479.378 5.045 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CC(c5ccccc5)(C3)C4)n[nH]2)c1 1823594618 IMYBEKMMDAMVPK-XTSFHXCASA-N 493.611 5.465 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1823684046 WZMLCDCPKLHFFK-HHHXNRCGSA-N 489.685 5.211 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccccc3Br)CC2)C1 1823704759 RZGSGVNNMRNLLR-JJNABOQBSA-N 471.439 5.048 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1824054289 SMLKAUBVHWWBAS-MHZLTWQESA-N 486.591 5.045 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1824271958 BIZMJYIHJFHBIN-DCFHFQCYSA-N 474.649 5.125 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825436817 JIZPBHQTNOXUJR-IBVKSMDESA-N 463.622 5.136 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc(C(F)(F)F)c3)CC2)c1 1825688483 UGSGCFIPGSRNFP-FDDCHVKYSA-N 498.549 5.275 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)CC1 1825689977 VSLAGPPLRGROSZ-HXUWFJFHSA-N 465.560 5.326 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825959028 JGYPVSZZSJOIGD-FQEVSTJZSA-N 468.560 5.833 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1827379798 KCLVPDWFBHSXEN-VWLOTQADSA-N 456.590 5.039 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827778346 IBFDNQHNDLLXIE-NHCUHLMSSA-N 487.632 5.276 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)cc1C#N 1828191293 RFSHNMCWYGRROK-VWLOTQADSA-N 499.611 5.639 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)CC1 1828602054 OZDKCUVIFGEKLK-RDTXWAMCSA-N 495.508 5.215 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828677740 ZYJKTINAQVAOAN-HSZRJFAPSA-N 451.636 5.298 30 20 JKED COc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1828903424 AOCMGBPKSHVUOB-MHZLTWQESA-N 496.768 5.299 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829582150 KOEWJBLRTSCPBM-QHCPKHFHSA-N 475.658 5.581 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c1 1829893331 QUWZCUWQDRDFMS-RUZDIDTESA-N 464.009 5.078 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1 1829957448 PDFYCXLVZCZLCV-QHCPKHFHSA-N 487.497 5.263 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3)CC2)cc(C(F)(F)F)c1 1829963674 VCRBRRBPGMRSND-HSZRJFAPSA-N 487.497 5.263 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)cc1 1830626980 FPFHFPMLSNYOOS-RUZDIDTESA-N 481.999 5.021 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)cc1 1830628537 KOLCXFIYQNELBC-NHMNHLDDSA-N 475.677 5.592 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1830766835 PTLAKUPIALNCST-AREMUKBSSA-N 489.019 5.549 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(OC)cc3C#N)CC2)CC1 1831561204 DOOIBDWDIKVQEZ-MBEZDYHHSA-N 493.692 5.336 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)CC1 1831719237 HNBMVKZPEYLFFQ-RLJUJNLYSA-N 468.613 5.236 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3ccccc3)n2)CC1 1832028695 VYRXQKJXAJISGC-MHZLTWQESA-N 457.618 5.176 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1)c1ccccc1 1832890565 ARYPWDJJWKLETK-WZONZLPQSA-N 498.549 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)CC1 1838375449 IJCHZZALJBDFQM-OAQYLSRUSA-N 496.545 5.225 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 1838423874 KNZLKNDZKRXHTQ-UHFFFAOYSA-N 496.570 5.190 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccccc1OC 10118159 DBLSTCZDDISYJU-UHFFFAOYSA-O 460.406 5.903 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(Cc3ccccc3)cc2)c1 10827004 LDPDNTDTGLUBCI-UHFFFAOYSA-O 486.060 6.886 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)=C(/S)Nc1cccc2ccccc12 11127061 KGIGZIAPGJPBAX-UHFFFAOYSA-O 486.617 5.472 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 12723865 GPNHFVDJOGCVON-DNQXCXABSA-N 484.581 5.449 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2sc(C)c(C)c2c1=O 16715516 OCFJLXYIMJJHAX-ZDUSSCGKSA-N 467.538 5.399 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)nnc1-c1ccc(F)cc1 22162700 CDZBBQLBVLGWCD-KGLIPLIRSA-N 481.622 5.546 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)NCc2ccc(OC)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22693127 AGARUSMVZZRCDA-UHFFFAOYSA-O 495.668 5.865 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 24378964 TZOBSCBVELNSIR-IBGZPJMESA-N 462.575 5.187 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 29205035 PLFDTPMSSVVISF-XUZZJYLKSA-N 474.586 5.097 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nnc1-c1ccoc1C 31842568 FSAINIBWOWJNBI-UHFFFAOYSA-N 454.577 5.466 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 32786941 YLHFDEYVQOIPTK-HXUWFJFHSA-N 489.626 5.179 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 195665835 ZQNLAXJZBATXDI-KNSFSRGUSA-N 485.628 5.252 30 20 JKED CC(C)CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 218669057 DFMRSRNLPMRPTB-KRWDZBQOSA-N 495.674 5.444 30 20 JKED C=CCN(C(=O)c1cnc(-c2ncccn2)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 303086094 GPLPTQDYWSBMPX-UHFFFAOYSA-N 474.398 5.863 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c3c(C)noc3n2)c(C)s1 303291566 MOUNRIIVODUCAI-ZDUSSCGKSA-N 462.600 6.381 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCc1cscn1 498337218 USPUFVLRRVHHBS-MRXNPFEDSA-N 481.643 6.067 30 20 JKED C=CCn1c(SCc2cn3cc(Cl)cc(Cl)c3n2)nnc1[C@@H]1COc2ccccc2O1 503243425 CZIBASLOOKESFN-SFHVURJKSA-N 474.373 5.223 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 503343259 NBHZCTQNEIRDBK-UHFFFAOYSA-N 482.561 5.885 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1cccnc1 503713054 LPJJWBCYOLVGFC-OAHLLOKOSA-N 472.599 5.757 30 20 JKED CC[C@H](C)n1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1 504277962 AOCVRHURBZSFFR-LSDHHAIUSA-N 451.621 5.457 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N1CCCCC1 511386217 XBPMTFLMFHCEQL-MUUNZHRXSA-N 498.627 5.689 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2[N+](=O)[O-])n1 515546295 OQXAAPGXGMNSIN-CYBMUJFWSA-N 486.987 6.264 30 20 JKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)c2)cc1 515632467 SVIKAVONKZZBQB-UHFFFAOYSA-N 471.460 5.023 30 20 JKED C[C@H](OCCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 515889408 SKMUTDCOKXFRLZ-SFHVURJKSA-N 477.948 5.227 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1Cl 516346834 UAJMSBQXERRRRD-YMVVMYQSSA-N 487.987 5.218 30 20 JKED N#C[C@@H](C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nc(-c2ccncc2)cs1 516767758 UQLVRZCDOCFUPR-NRFANRHFSA-N 461.999 6.641 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)NC12CC3CC(CC(C3)C1)C2 517461131 QQQSGHLWAZADKE-XSXQVXRUSA-N 451.558 5.597 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1)c1ccccc1 518477580 QDTQQUSCPSFQMH-HSZRJFAPSA-N 462.534 5.448 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-])c1ccccn1 518507521 BCBOYANTDJTQER-CJNGLKHVSA-N 455.396 5.067 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)C(=O)Nc4ccc(Oc5ccccc5C#N)cc4)CC3)c2c1 518571030 QDLBKRABCXJWBM-UHFFFAOYSA-N 492.535 5.095 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Br)cc1Cl 518656039 AMGNZXIGSVGYBR-ZDUSSCGKSA-N 469.857 6.226 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)n1 518670893 OPUZWRLKSHQNCU-OAHLLOKOSA-N 470.963 5.172 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 519873696 YFHQWXFXLBEEIH-UHFFFAOYSA-N 484.503 5.624 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] 519944705 BVBUMYJACOYELV-UHFFFAOYSA-N 488.529 5.065 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 520200727 QNCWEOQXYRTZBS-APWZRJJASA-N 450.589 5.525 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H](c3ccccc3)N3CCCCC3=O)s2)c(C(F)(F)F)c1 521312198 UYFACOZRTNRGMI-QFIPXVFZSA-N 498.530 5.317 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 521378216 WNAIRHKSFDLICC-UHFFFAOYSA-N 470.447 6.176 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc12 521514909 BMHOEDXRSIFMSA-UHFFFAOYSA-N 491.016 5.663 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3nc(-c4ccccc4F)ccc3=O)c2C#N)C1 524290556 WGJCLCIYSXQSGY-MRXNPFEDSA-N 478.593 5.162 30 20 JKED Cc1cc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)n2c(nc3ccccc32)c1C#N 585737053 CRIRLPATCSQHHX-MRXNPFEDSA-N 472.599 5.318 30 20 JKED COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 603445196 QHOPJIUUMAWWAF-UHFFFAOYSA-N 457.895 5.851 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 603872829 SSNYSTZOCFYXST-UHFFFAOYSA-N 452.308 5.348 30 20 JKED CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604089576 FQEPEEHSWZCCHV-UHFFFAOYSA-N 477.952 5.856 30 20 JKED C=CCN(C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1)c1nc(-c2ccccc2)cs1 604231549 LRJRKCCKMDSQMV-UHFFFAOYSA-N 472.570 5.314 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 604570446 VHAMZXPTIDZFOE-UHFFFAOYSA-N 469.516 5.636 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Sc4nncs4)c(Cl)c3)o2)cc1 609107677 QOHYZGSTJTXHBP-UHFFFAOYSA-N 468.947 5.639 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1Cl 609164419 NTHHCSOAJVBMDK-DEOSSOPVSA-N 453.929 6.222 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)c2)cc1 609202531 NSBQZFFPTYDSHI-UHFFFAOYSA-N 461.930 5.587 30 20 JKED COc1ccc(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(Br)c1OC 609389702 JFQVDRAZKRTSHJ-CQSZACIVSA-N 495.464 5.590 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)n(C2CCCCC2)c1C 611158060 OAVNNXHCFAWNNL-UHFFFAOYSA-N 485.617 5.342 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(F)F 613346706 NZCVIMAMICNPIC-CYBMUJFWSA-N 469.296 6.217 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(C)n1Cc1ccccn1 613405256 VYABNEHCZTUJMX-GOSISDBHSA-N 454.477 5.667 30 20 JKED C=CCOc1c(Br)cc(CNCC2(c3ccccc3)CCOCC2)cc1OCC 642342085 HGNAFKAPUUNSLO-UHFFFAOYSA-N 460.412 5.251 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(Br)c1 726312985 PAOVIGOKBGKGEH-QHCPKHFHSA-N 490.401 5.137 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccn2)c1 726409958 FQPDYMCUNBYQFR-SANMLTNESA-N 490.588 5.377 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)S/C1=N\[C@@H](C)c1cccs1 726421099 KMWYOPNQTYKIIO-VCIZKGPESA-N 478.437 5.086 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@H](C)c1cccnc1)c1cccs1 726421609 OGSUPCXOLLXETO-CXYDIROXSA-N 499.061 5.948 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(Cc3ccccc3)cc2)cc1 726572074 PUWWTTBRINKYIB-UHFFFAOYSA-O 480.613 5.380 30 20 JKED C[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)C1CCCCC1 727627759 QSUGDVPKDNFQHJ-CXAGYDPISA-N 464.418 5.768 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 728126470 MHGGBTFHDFIXSI-ROUUACIJSA-N 474.527 5.633 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 728127802 RDNGMMKKIUHFHJ-UHFFFAOYSA-N 492.498 5.449 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)cc1 728412042 QTFDZQZZPLYZQG-WYMJOSIYSA-N 451.570 5.198 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 728424859 BGQGEWVPZSBAEA-SBUREZEXSA-N 487.560 5.122 30 20 JKED CN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCSc2ccc(Br)cc21 728797491 RECDHUPUUVBCRI-MRXNPFEDSA-N 452.830 5.840 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1 729145335 KIXCWIXUDLLEJL-HXUWFJFHSA-N 482.606 5.314 30 20 JKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 729552772 KGLRWMMQSIVRAC-PMERELPUSA-N 491.591 6.594 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 729878925 FYUUBJALSAZAEZ-IZZNHLLZSA-N 471.988 5.982 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)c(C)c1 730445256 VROXEBFERHFDOD-HSZRJFAPSA-N 476.602 5.111 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CCC2)c1 730459224 IOXTXXNRLJIUTI-LJQANCHMSA-N 472.408 5.270 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1F 730533629 AVMZDWOFORBTNA-KRWDZBQOSA-N 466.365 5.564 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cocn1 730716910 YNCZSOVPVLSOPE-DEOSSOPVSA-N 484.581 5.551 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 730944790 ZZNGQBKNUABSQZ-BTYIYWSLSA-N 482.968 5.596 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731063701 RGKGUNZSRPMMMJ-AWEZNQCLSA-N 469.950 5.493 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc3ccccc3[nH]2)cc1 731305073 GIIWICNZNZPDOD-DEOSSOPVSA-N 484.581 5.342 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747001567 LJYSHFMGUOJVTM-NRFANRHFSA-N 463.940 5.512 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSCc2cc(-c3cccs3)on2)cc1 747111673 MHUVSYKXIQZLCR-KXBFYZLASA-N 453.589 5.497 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C#N)ccc3OC)CCC(=O)N2c2ccc(C)cc2)cc1 747406209 YIXDIOUIYHFGAK-WNCULLNHSA-N 469.541 5.007 30 20 JKED Fc1ccc(-c2nc(C=Nn3c(S)nnc3-c3cccc(Br)c3)cs2)cc1 767217106 WETBMBLAJGCDOU-UHFFFAOYSA-N 460.357 5.141 30 20 JKED CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2C#N)sc(C(=O)Nc2ccccc2)c1C 799765016 AQSDYZPRKJJDOO-BUHFOSPRSA-N 459.527 5.009 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 800374549 LRGBHCIJIKDCIO-QFIPXVFZSA-N 477.564 5.631 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1ccc(F)c(Cl)c1 837536635 APUQFBINKKCTST-NRFANRHFSA-N 482.968 5.077 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccs3)C2=O)c([N+](=O)[O-])c1 837536982 GBXDDUALJYODNX-FQEVSTJZSA-N 480.571 5.125 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837741801 LCJRZYJDYCXTGK-VGSWGCGISA-N 462.550 5.251 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1C 914543307 IFZMZFZYYJRSGT-QFIPXVFZSA-N 492.576 5.007 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Br)c2)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914553580 DVCHZJMHGFGACE-RBBKRZOGSA-N 498.446 5.201 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)nc2C)ccc1Cl 914722381 VPUJEVZBUNWUSB-UHFFFAOYSA-N 487.984 5.433 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)cc1 915101103 CPWVSHVDNYJEPS-FQEVSTJZSA-N 462.552 5.176 30 20 JKED CCN(CC)[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(OC)c1 915352984 KTKQYHNUWQVVDD-SVBPBHIXSA-N 456.590 5.555 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 915353843 QTSWUOJYFZVXEE-QHCPKHFHSA-N 493.394 5.639 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCc3ccccn3)C2=O)c1 916205795 LQVQHYWUWVHTEP-QHCPKHFHSA-N 476.577 5.041 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2)cc1 916212493 NRKHKQCCYRNPPC-HSZRJFAPSA-N 477.561 5.303 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(SC(F)F)cc1 916215901 ZBWHHSUAWDDXLA-KRWDZBQOSA-N 465.522 5.287 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1csc(-c2cccc(Br)c2)n1)CCCC3 916288050 TWCXIHPACMCKGR-UHFFFAOYSA-N 471.405 5.105 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ncnc3sc4c(c23)CCC4)cs1 916310538 ZBNHJYBPXZQWGJ-UHFFFAOYSA-N 468.995 5.421 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3[C@@H]3CCCO3)s2)cc1Cl 916543125 IYKUTSJRGIYEAT-LBPRGKRZSA-N 455.396 5.116 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)nc2ccccc21 916844750 AOXZCLVBFRFRTQ-AUSIDOKSSA-N 460.331 5.332 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc(O)c2c3c(sc2n1)CCCC3 916847436 PDNDHNKIIJTZNH-CFYYFVFUSA-N 459.449 5.064 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 916900910 UUBIUHXPJSPSLA-KRWDZBQOSA-N 493.995 5.304 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 916914030 JOWOSIIVFXKNFZ-XMMPIXPASA-N 454.530 5.634 30 20 JKED N#C[C@@H](C(=O)CCn1c2ccccc2c2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 916931251 JRFFNXSIHNUDRF-SFHVURJKSA-N 450.325 5.839 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 916939581 IBEZDPJUFZBZLA-OAQYLSRUSA-N 460.917 5.326 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1Cl 916940395 WYLWQTZFNMGEIO-GOSISDBHSA-N 496.951 5.217 30 20 JKED N#C[C@H](C(=O)CCCOc1ccccc1Br)c1nc2cc(C(F)(F)F)ccc2s1 917043894 OXFLVBSPKQCCGA-CYBMUJFWSA-N 483.309 6.113 30 20 JKED CCc1cccc(C)c1NC(=S)NN=Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 917544814 LVKSBOMUKDVSBL-UHFFFAOYSA-N 472.039 5.672 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H]1CCN2CCC[C@@H]2C1 917665876 LKVHTECVAYBHFF-TXTKFYIRSA-N 497.064 5.236 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc(C)n2)C1=O 917675558 ONBZVAFSXYKAKX-QFIPXVFZSA-N 495.004 5.213 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)cc1F 917687917 XHVYGNYWUYGRQJ-HSZRJFAPSA-N 472.545 5.166 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 917700256 JUWZBJGXZFIDRZ-IBGZPJMESA-N 475.467 5.502 30 20 JKED COc1cc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)c([N+](=O)[O-])cc1OCc1cscn1 919882953 HUPAWUNLRLVNIR-UHFFFAOYSA-N 487.493 5.397 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)cs1 920385767 YBXFOTOQAFOHPM-UHFFFAOYSA-N 486.066 6.313 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc3c(c2)CCC3)c1 920395285 XCTMCSFOFYDCCU-UHFFFAOYSA-O 472.634 5.501 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 920868661 LDLQPMLVDNKWGZ-UZUQRXQVSA-N 467.635 5.163 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)NCc1ccc(C#N)cc1 920873258 QZVFDGCMRXOBBH-UHFFFAOYSA-N 452.436 5.460 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2-c2ccc(C)cc2)C1 1781058965 YUAXSNLCLQXUSF-BOBPPRSMSA-N 486.656 5.558 30 20 JKED COc1ccc2c(/C=C/C(=O)NC3(c4ccc(NC(=O)[C@@H](S)C(C)C)cc4)CCC3)c[nH]c2c1 1786394015 QSIXPDGLEWYLOP-PYVFBFEOSA-N 477.630 5.278 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)nc1 1786869291 FEOLCUPJUQYYBU-OAQYLSRUSA-N 466.585 5.398 30 20 JKED Cc1noc(C)c1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1786912082 OANVSYFBFDVDBX-UHFFFAOYSA-N 476.964 5.197 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)C)on3)cc2)CCC1 1787544740 WOQGEGVRPANESR-FQEVSTJZSA-N 496.608 5.015 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C3CCCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1787613117 RMSPWOLDEANQEK-JOCHJYFZSA-N 469.626 5.170 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cc1F 1788648789 QTWYXZVPFJYBCO-ZRDIBKRKSA-N 492.572 5.012 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)cc1 1788721414 JAQARJWDLFMYPF-UHFFFAOYSA-N 481.474 5.551 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3csc(-c4cccnc4)n3)CCC2)cc1 1789453907 IFXGBQUDSXAHQB-JOCHJYFZSA-N 472.614 5.721 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789932442 NHZYYHLWVOWTCS-XMMPIXPASA-N 459.615 5.451 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(F)cc4)CCC3)cc2)c1 1790075881 QAWOBZRUOMQKQH-UHFFFAOYSA-N 471.532 5.086 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn5cccc(F)c45)CCC3)cc2)c1Cl 1790082527 FDVCIOCJMMWVSU-UHFFFAOYSA-N 487.922 5.060 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ncsc45)CCC3)cc2)c1 1790257465 ZZIWHMOSERGJLW-UHFFFAOYSA-N 452.539 5.229 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC=CO4)CCC3)cc2)cc(C(F)(F)F)c1 1790784903 ADFPNPAGVUWULM-NRFANRHFSA-N 469.463 5.017 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccc(Br)cc5c4)cc3)CCC2)C1 1790867466 DUTJTMKKUVYJDK-UHFFFAOYSA-N 490.401 5.711 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)nc2ccc(Cl)cn12 1790974789 YBBAYFUKROKGCJ-UHFFFAOYSA-N 497.986 5.158 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)cc2)CCC1 1791089326 OSKGIDXAHCTLBL-MDNUFGMLSA-N 452.696 5.047 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)CCC(C)C)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681286 DDCHUUCTTOJVDQ-QFIPXVFZSA-N 469.626 5.122 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cnccc5[nH]4)CCC3)cc2)c1 1792125374 XCSMQNLWEDMULQ-GOSISDBHSA-N 463.541 5.251 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@](C)(OC)c1cccc2ccccc12 1792523929 AERNISUHHVKPFU-OJNHJINQSA-N 462.634 5.332 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(Br)c3[nH]1)C2 1792574129 ZBNXQUBDPLYJMQ-BCDXTJNWSA-N 472.427 5.175 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3ccccc23)ccc1Br 1797299888 BKDMORZCDFLZSL-WKCHPHFGSA-N 488.385 5.040 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2)c1 1799668166 CFMLHPXWYYVVEM-NUNAXRQHSA-N 480.406 5.010 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800812594 WGZQMHSUXKHWBI-QEIWAGNOSA-N 480.608 6.078 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[C@@H]2c2cccnc2)C1 1802416360 JSYYZHMMNOPNJC-KDYSTLNUSA-N 496.636 5.577 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cccc(Br)c3)cc1)C2 1802631236 OAXMTJSMCACPDS-QEIWAGNOSA-N 493.445 5.562 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1802747544 RQHHKQFFDQAZIV-LZECLLPCSA-N 487.003 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c(CC)nc4ccc(Cl)cn34)CC2)C1 1805454859 HDPCONIZTGSEFD-UHFFFAOYSA-N 483.056 5.163 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1807848230 XZYOLXWOMAICFI-VAVYLYDRSA-N 494.639 5.540 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808490873 ZRWYXYIIHTZRLV-IEXUWNMDSA-N 498.048 5.269 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@H]1c1cccnc1 1809200181 VKZLWSCNTGTIKO-HOYKHHGWSA-N 480.559 5.153 30 20 JKED Cc1cc2cccc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)c2[nH]1 1809275844 PSXFSZRCWDCBHB-ATVOGRQSSA-N 491.595 5.132 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810499425 YBPUYDWGEZNSPL-QVQNZMNRSA-N 480.052 5.537 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1c1cccnc1 1810500812 XSVKNVHBGHNMDG-OFVILXPXSA-N 458.606 5.183 30 20 JKED CC(C)(C)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811252789 XRWJYQUKWOWYIO-LMSSTIIKSA-N 479.624 5.237 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811458953 FBBCOTSUZIBBIN-VGSWGCGISA-N 492.422 5.840 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1 1811796816 RCVGVQKCKBRLMJ-AHWVRZQESA-N 460.622 5.269 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3c(Cl)cccc3Cl)[C@H]2c2cccnc2)c1 1811940112 UGFSWQOBHZULQG-CYFREDJKSA-N 493.394 5.202 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1812958585 VZIDENMQSLNLTA-NOZRDPDXSA-N 487.566 5.181 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC[C@H](CNC(=O)C3(C)CCCCC3)[C@H]2c2cccnc2)cc1C#N 1813004634 HXOMJTNYPCYBML-ZEQKJWHPSA-N 488.632 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#Cc3ccc(Cl)cc3)n[nH]2)c1 1814743147 AXVOGOQBNYZOTF-KOSHJBKYSA-N 485.975 5.048 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1816462955 MJKHTBGZVOIUEK-OAQYLSRUSA-N 493.995 5.753 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)[nH]n1 1819303856 QSMJMKKCSSONRV-AUSIDOKSSA-N 494.546 5.152 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)[nH]n1 1819304899 MCWICSSHRLXNNZ-UWJYYQICSA-N 491.419 5.556 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)[nH]n1 1819552617 RURVWZOFZMWEPY-SFHVURJKSA-N 489.016 5.379 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CSc3ccccc3)[nH]n2)c1Cl 1820219725 VVOCGQBMURJZEQ-HXUWFJFHSA-N 479.993 5.033 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820220054 HSWFECPZKLOVCO-GOSISDBHSA-N 495.008 5.061 30 20 JKED CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1 1820644681 VUESAFDBMDAJDG-DEOSSOPVSA-N 455.562 5.048 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c(Cl)c1 1821274291 BVSASXWYKZBDKO-FQEVSTJZSA-N 486.334 5.347 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1821925381 QXGAAMODVAEPBZ-JTSKRJEESA-N 456.546 5.827 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)s1 1823210866 JMDNKSOBCVXPBJ-GAJHUEQPSA-N 475.618 5.345 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823215724 BPOODAOCQCIGFY-UZUQRXQVSA-N 459.525 5.104 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)ccc(Cl)c3F)n[nH]2)c1 1823272818 HJGMEORRFCDXMH-HXUWFJFHSA-N 497.933 5.152 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)c1 1823671361 BYUFMXJCCARCAC-JOCHJYFZSA-N 485.415 5.116 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)CC1)c1ccccc1 1823727736 NRIZQQPPLUXAIV-IAIGDRPBSA-N 483.656 5.220 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)c1 1823987894 ZYNPXURSLIAPJI-SIBVEZHUSA-N 496.026 5.582 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1825951320 JHDSILKPLYHDEI-XMMPIXPASA-N 461.606 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1826950725 HVJCEQLZQGWPMA-KCWPFWIISA-N 479.709 5.663 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1827293841 BQYGNOVVCBPXBL-SANMLTNESA-N 486.660 5.117 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3cccc(F)c3)CC2)cc1 1827353051 DNWNPQVMXNPATQ-HHHXNRCGSA-N 496.586 5.306 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)c2s1 1828095594 CJJKMCBXGGPBQM-DEOSSOPVSA-N 490.604 5.163 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828129745 CMCNOKFAKZLFFL-JOCHJYFZSA-N 451.636 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1828821831 SCSKVVDRAIEATC-DNQXCXABSA-N 491.598 5.421 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(Cl)n2)CC1 1828826851 NTFZOWVPLVRLQJ-CTNGQTDRSA-N 464.437 5.390 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1828831091 UNBXVPRUBAZNIW-AOYPEHQESA-N 480.052 5.890 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1Cl 1829689648 KUZYJYVVSRRJHN-JOCHJYFZSA-N 470.400 5.412 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c(Cl)c1 1830720588 BNLAZBQKNWROSO-RMTZWNOUSA-N 494.010 5.388 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1830767865 SRIVWNNFTJWXAE-RUZDIDTESA-N 472.633 5.106 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)c1 1830769467 QDEXGJATYUPZSY-SANMLTNESA-N 490.554 5.173 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)CC1 1830795419 PIFZLLLDPAPATC-SANMLTNESA-N 495.614 5.411 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1831373614 GDSIKHHCOYBIJP-KKSFZXQISA-N 461.990 5.002 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1832633747 NJZBPPQVCGHXPC-FQRUVTKNSA-N 461.581 5.308 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)c1 1832635386 CLJQMHKUCHUSKY-NIYFSFCBSA-N 479.571 5.068 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832702126 DIXWBCOSUNPUQP-AREMUKBSSA-N 491.607 5.340 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1C#N 1832704744 SBAOYMYJCYDUEX-WFHOOFKDSA-N 491.676 5.405 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CCC1 1832719138 ANYHEVCSXGKSPP-LJQANCHMSA-N 482.839 5.574 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1 1838113026 VDVMYSXKOLAKRO-UHFFFAOYSA-N 483.008 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1841320104 JHDWDENADYUNPT-NRFANRHFSA-N 466.025 5.213 30 20 JKED N#CCSc1nnc(-c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)n1-c1ccccc1 9162990 FCHCVJKLSLROMC-UHFFFAOYSA-N 481.990 5.004 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 10173870 SOFAZPDFSIKBJO-UHFFFAOYSA-O 464.655 5.677 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccc(Cl)cc1 10831854 HILNEISJJROUNV-UHFFFAOYSA-O 474.831 6.003 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(CO)c1)c1ccc2c(c1)CCC2 11159566 VJNBAGFINMRWIB-UHFFFAOYSA-O 472.417 5.313 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\c3ccc(OCc4ccccc4)cc3)NC2=O)c1 15231838 OKLZVOXJVHHAOC-HSZRJFAPSA-N 459.571 5.130 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccc(OC)cc1 16865032 UURMCTLWTZLAED-HNNXBMFYSA-N 472.998 5.229 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccs2)nc2sc(-c3ccccc3)c(C)c2c1=O 17131785 UZKNRCAKJVJOKM-UHFFFAOYSA-N 481.668 5.432 30 20 JKED COc1ccc([C@H](CNC(=O)COc2ccc(C#N)cc2Cl)c2c[nH]c3ccccc23)cc1 19357732 JJZUNQDQWPNKMN-NRFANRHFSA-N 459.933 5.029 30 20 JKED CCCCCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2ccc(Br)cc2c1=O 20073044 PJHICOYZXJNEHN-UHFFFAOYSA-N 499.434 5.146 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22731369 JXRUFQJEBYFWNQ-UHFFFAOYSA-O 469.577 5.999 30 20 JKED Cc1ccc(-c2csc(/N=C(\O)CN3CCN(Cc4ccccc4Cl)CC3)n2)cc1C 23249825 OBZYJGUTRYYVJV-UHFFFAOYSA-N 455.027 5.486 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 23518831 VLLSDZPVTGUWRE-WMZOPIPTSA-N 472.611 5.088 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccc(OC)cc1 23998003 GDWNHVXSHKZLJW-INIZCTEOSA-N 476.558 5.208 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1ccc(OC)cc1 25460258 HXWQOCAVZPVYAE-UHFFFAOYSA-N 482.609 5.695 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)sc2Cl)n(Cc2ccc(F)cc2)c1C 27429694 WFKMMDNREYFPLJ-UHFFFAOYSA-N 480.348 5.328 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 32788079 YZXCNOXVKUHZGA-NRFANRHFSA-N 468.626 5.441 30 20 JKED C[C@@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)N(CCC#N)c1ccccc1 109622509 ABQFMDMWMDAIBB-QGZVFWFLSA-N 458.509 5.540 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nc2ccccc2o1 195557134 AGNORUISDFSPDZ-GOSISDBHSA-N 450.281 5.877 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)c2)c1 195574325 KLQUEHDYCGAESW-UHFFFAOYSA-N 480.421 5.733 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)cc1 255868877 KKEHTOYODJMGKF-DEOSSOPVSA-N 472.614 5.421 30 20 JKED CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 477267561 UQQMLUXSVDXUMA-SFHVURJKSA-N 488.588 5.740 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)c2)c1 480179570 HSTOMKTUSDVPPN-UHFFFAOYSA-N 467.550 5.381 30 20 JKED Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)o1 485991740 SPHARFDNPZNWRL-UHFFFAOYSA-N 481.537 6.008 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498714052 BXDFHWSZOKIODX-UHFFFAOYSA-N 490.566 5.865 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1Cl 499195835 UFARGMVMSOENLE-QGZVFWFLSA-N 472.961 5.529 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 509976747 NNPSAFYDGWDZJX-QGZVFWFLSA-N 455.624 5.024 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2-c2ccc(Cn3cncn3)cc2)cc1 510759794 BEZSJEJUWBSIDM-UHFFFAOYSA-N 450.546 5.116 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2)c(C)c1Br 513139099 ZAYMKQAGQFLVAZ-MRXNPFEDSA-N 463.257 5.156 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2s1 513661959 XLCXFXXIVVBODE-GOSISDBHSA-N 476.355 5.801 30 20 JKED COc1ccc(Br)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513860996 DWWYDFHQTZGTNM-UHFFFAOYSA-N 468.326 5.703 30 20 JKED CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513870519 AXNDSASNDQSJRT-UHFFFAOYSA-N 493.604 5.645 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 514056242 ZNJZJGJUFZSCET-UHFFFAOYSA-N 468.966 5.522 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccccc1F 514486791 FTQWXDMSLMEIGK-HNNXBMFYSA-N 481.622 5.449 30 20 JKED C=CCN(C(=O)CCCC(=O)N(CC=C)c1nc2c(s1)CCCC2)c1nc2c(s1)CCCC2 516072761 ATGZSHSTKLEWPK-UHFFFAOYSA-N 484.691 5.266 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1 517091868 LGBFNGOBMMCLIE-UHFFFAOYSA-N 473.573 5.024 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 518255433 DBTKKIKBIOLDQW-OAHLLOKOSA-N 471.051 6.755 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 519066331 KHOWCSNOHZUWGY-HXUWFJFHSA-N 472.564 5.560 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)cc1Cl 519107170 VICNTKASMJZNEA-QFIPXVFZSA-N 499.933 5.107 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nc2ccccc21 519198984 HXKRSKUBUZSKLS-RUZDIDTESA-N 451.530 6.089 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)C2)cc1 520837383 RZQNJJIQOBOCJN-GOSISDBHSA-N 475.536 5.511 30 20 JKED COC(=O)c1c(NC(=O)CNc2ccccc2S[C@@H](C)CC#N)sc2c1CC[C@H](C)C2 520943802 MQTIYSRMROGRJV-GJZGRUSLSA-N 457.621 5.104 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(COCc3ccco3)c2)cc1C 521325947 BKRBUOPDLPIUCL-UHFFFAOYSA-N 468.557 5.320 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 521725998 KGOZCWSCSBRFEQ-IBGZPJMESA-N 479.627 5.406 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)cc1 523972948 CCKGBXNOLUAPMD-SANMLTNESA-N 489.531 5.596 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524422297 INPICLJEIBSAJL-MMTVBGGISA-N 481.596 5.384 30 20 JKED C=CCN(C(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 553476649 STZHQNFPBSLDNN-UHFFFAOYSA-N 498.927 5.233 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)c1 557727339 DOPQMVXUJWSUTK-UHFFFAOYSA-N 481.478 5.555 30 20 JKED O=S(=O)(Cc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 585775034 DYTCIVGLSNOKTI-ITGUQSILSA-N 457.358 5.034 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)s2)cc1 589196002 CFUDMBKJJRZTKT-IAGOWNOFSA-N 460.506 5.463 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nc3cc(Cl)ccc3n2C)n(Cc2ccco2)c1C 603749584 OQDCNAZLIWHKEL-UHFFFAOYSA-N 467.982 5.279 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 603803136 IVNRYHHFHYIZHY-LADGPHEKSA-N 455.949 5.640 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1CC 603900735 VNCBQLSOSVMNMI-IBGZPJMESA-N 484.629 5.280 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CSc3nnc(-c4ccc5ccccc5c4)o3)c2)c1 603961492 XPUWZQDKUDJRFB-UHFFFAOYSA-N 492.560 6.071 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 603969370 NOLASWBCXPJOGR-SFHVURJKSA-N 479.627 5.411 30 20 JKED CC[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1OCC(=O)N1CCCC1 603982284 DFGCKBBNZUZMHL-HHHXNRCGSA-N 497.595 5.020 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](OCC(F)(F)F)C3)cc2Cl)cc1 604089790 KTPYADJMHHUMPC-KRWDZBQOSA-N 453.848 5.579 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 604119649 LMIRCHBEPXYUGE-QGZVFWFLSA-N 493.629 6.040 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1ccccc1 604547664 CBGWBXFHHTXDOU-INIZCTEOSA-N 474.615 5.642 30 20 JKED COc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1OCc1ccc2ccccc2n1 609067128 ZCALCPKTVMZTTD-UHFFFAOYSA-N 498.608 5.745 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 609070993 DMLXZDFCEKLSPG-UHFFFAOYSA-N 456.977 5.613 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)c2)cc1 609176507 NPMDUMUNGYJCGL-UHFFFAOYSA-N 459.590 5.934 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 609388695 CVQSGEXUMPJCDX-CQSZACIVSA-N 492.548 5.879 30 20 JKED Cc1c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nnn1-c1ccc(-c2ccccc2)cc1 609408344 UKMFOLBENGMSPX-SFHVURJKSA-N 453.571 5.747 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 609437896 WCRIAGKOWRLVMD-REWPJTCUSA-N 457.599 5.510 30 20 JKED Cc1cc(-c2noc(CCC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)n2)ccc1F 615939903 KPSYCYVSRQHZBY-WDNDVIMCSA-N 467.385 5.142 30 20 JKED COc1ccc(CSc2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)s2)cc1 619671638 LCQWWTABQFZWLT-UHFFFAOYSA-N 463.009 5.095 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 622686262 DIYWFESGIXUYRA-CQSZACIVSA-N 463.340 5.545 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1cnn(CC)c1 726113300 RFZIVJFZFWFXBJ-MRXNPFEDSA-N 488.828 5.234 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2F)cc1F 726412885 UOAQHNHECHNZEZ-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2ccc(Cl)cc2Cl)C1=O 726415069 HKHGFCIOVSQCFI-LJQANCHMSA-N 480.417 5.048 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC(C)C)cc1 726416647 YMQRGEQVEJHDFN-OAQYLSRUSA-N 488.009 5.282 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Br)cc2)cc1 726572331 YUKZEXOTQXZJOH-UHFFFAOYSA-O 499.841 6.147 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc(OC)c1OC 726700366 MKXYCMIJZVGFAG-UHFFFAOYSA-N 467.566 5.052 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 727996176 GOQGXXDQBRVTHD-SANMLTNESA-N 453.542 5.079 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 728779060 XEBCKMQTZDUDGS-LJQANCHMSA-N 474.508 5.360 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 730942331 MUJZMUORJBPTAH-KKSFZXQISA-N 498.530 5.822 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944059 QLIDHLXKWGUHNN-OYHNWAKOSA-N 496.539 5.090 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)sc2c1CCCC2 730957228 YRRLFEFOPAIUAO-UHFFFAOYSA-N 468.316 5.273 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1[nH]c2ccccc2c1Br 731069617 OEAKYKYVZOASRL-ZDUSSCGKSA-N 472.364 5.120 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 731332153 FAAIPFPEQMUQLW-ATPAHOSSSA-N 487.697 5.762 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(COc2ccc(Cl)cc2)n(C)c1=S 746056333 ZZNFOUKIMZFHAP-UHFFFAOYSA-N 456.015 5.171 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)c1 747603750 UVRBCDAWNOPEOQ-LJQANCHMSA-N 490.532 5.029 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(COc2ccccc2C#N)o1 751423461 XUGAZDLFUMDFSQ-FGZHOGPDSA-N 479.577 5.124 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C(C)C)CC1 838190490 NGIFZKRKORQTHH-XMMPIXPASA-N 478.662 5.082 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1C 838486792 SHJSJNAQNZFMMW-QHCPKHFHSA-N 477.561 5.303 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccc2OC(F)F)C1=O)NC1CC1 914537781 FBFREYNENCLYEK-QFIPXVFZSA-N 495.551 5.242 30 20 JKED CCN1CCC[C@@H]1Cn1c(C)cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1C 914692248 NIJSANFNBNEEDK-HSZRJFAPSA-N 473.646 5.218 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2C(F)(F)F)cc1 915085124 GSTCASKWLHBRCA-JOCHJYFZSA-N 460.459 6.107 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086659 VYJGPYMPMBMETN-HSZRJFAPSA-N 454.555 5.887 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)SCc3nc(O)c4c(C)c(C)sc4n3)n2)cc1 915101118 DAPBVBSENTXNFC-WBVHZDCISA-N 494.667 5.944 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)SC2=Nc2ccccc2)cc1 916204635 HQUMJWAYWOGMIF-XMMPIXPASA-N 487.581 5.058 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1cccc(Cl)c1Cl 916211674 OBOHBGAICNYISW-HXUWFJFHSA-N 499.423 5.591 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 916217459 NMCXJYVUZVDBSN-IBGZPJMESA-N 498.407 5.519 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)CCCC3 916287396 BEWWNWOJWJMOHH-SFHVURJKSA-N 475.414 5.091 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NN(Cc3ccccc3)Cc3ccccc3)cs2)cc1 916368246 ZKFPFORMCDPEKP-UHFFFAOYSA-N 470.598 5.873 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916888741 XYCNCZNUPYXYGH-LJQANCHMSA-N 487.553 5.414 30 20 JKED Cc1cc(-n2c(C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2C)no1 916905822 PSFGWIXJVQHVKM-OAQYLSRUSA-N 454.486 5.144 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916916532 VJWMNWSJMDLFTI-LJQANCHMSA-N 454.507 5.301 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(COc2ccc(F)cc2)n1 916931497 MDFHCMNXNUBCBX-AWEZNQCLSA-N 464.305 5.129 30 20 JKED N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997724 YJNQVIIBAMBWQC-GOSISDBHSA-N 454.382 6.797 30 20 JKED Cc1sc(=O)n(CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1-c1ccc(F)cc1 917046980 NYXQHCDROGNSRI-OAHLLOKOSA-N 457.939 5.164 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 917426583 KQKLKFBNJVJRSU-SJCJKPOMSA-N 459.493 6.098 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@H](C)c2ccccc2)cc1 917609876 LFLBRTYQTOEMBO-HXUWFJFHSA-O 460.623 5.251 30 20 JKED CCOc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)cc1 917612508 VNIWQVBASBSRHD-UHFFFAOYSA-O 458.607 5.865 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(SC(F)F)cc1 917653288 JAKRGYZGPLZHQD-GOSISDBHSA-N 497.564 5.137 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1C 917670452 WLXRVOQKFRVFMU-HXUWFJFHSA-N 493.551 5.319 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2C#N)c1 917702271 DKKGTSHTGAHORR-RUZDIDTESA-N 498.608 5.174 30 20 JKED COc1cc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)n2)cc(Cl)c1OC 918492871 XJKKEGGTPGYXER-INIZCTEOSA-N 494.960 5.340 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3c(C)noc3C)C2=O)cc1 920351986 HHBBIWPCCDPHCD-QFIPXVFZSA-N 476.602 5.377 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3ccccc3F)n2)c1 920732811 NNLXTOACYZJOHQ-KRWDZBQOSA-N 451.523 5.058 30 20 JKED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)CCCCCCCCCc3ccccc3)C2)C1 1785504291 KJKCVGPEUCOIHC-MUUNZHRXSA-N 486.722 5.099 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](c3ccccc3Cl)N(C)C)CCC2)cc1 1786367290 IVQXENXTPDGFJW-RUZDIDTESA-N 484.040 5.060 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2)CCC1 1786635052 VSMNGXVCMUDBTN-QFIPXVFZSA-N 481.587 5.244 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCCC4(F)F)cc3)CCC2)c1 1789164397 YEDDOELUGJVFNC-XMMPIXPASA-N 455.480 5.224 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OCC)CCC2)cc1 1789496212 MDUMSJIEMZPPAQ-JOCHJYFZSA-N 470.997 5.060 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)c(Cl)c1OC 1790256296 JLVLYKVUVZTBSD-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)C[C@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)ccc1F 1790523700 CZRYYZZEWFTWAH-HLAWJBBLSA-N 459.565 5.200 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4csc(-c5cccnc5)n4)CCC3)cc2)c1 1790795049 RDIMAQGZEMBFJK-UHFFFAOYSA-N 493.592 5.447 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5o4)CCC3)cc2)c1 1790796594 WCBFWHZCOUOZRD-UHFFFAOYSA-N 450.498 5.069 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)cc2)CCC1 1790819980 XJPGAVMTHOTVJO-UHFFFAOYSA-N 459.496 5.683 30 20 JKED C[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)CC1 1790837228 WPFOMFNMEBRZBX-UAPYVXQJSA-N 455.562 5.009 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1791244174 OHTCQTIWXOVBAI-XMSQKQJNSA-N 469.626 5.026 30 20 JKED C[C@@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791913653 OICVZAOCEQQILE-VQTJNVASSA-N 455.558 5.533 30 20 JKED CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1)N(CC)CC 1792123083 IDHJBNKODORFFB-CPJSRVTESA-N 460.622 5.182 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1)c1ccc2occ(Cl)c2c1 1792944110 CORSHMPGPZHWRD-ACDBMABISA-N 467.352 5.043 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 1795672910 NWTYKWBFCFLAFC-NDBXHCKUSA-N 482.546 5.083 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Sc1cccs1)c1ccccc1 1798282052 YPTBXKIJJAUAMP-DODNOZFWSA-N 466.672 5.064 30 20 JKED Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)ccc1Br 1799786302 CDNCCHYQBUPFCH-WKCHPHFGSA-N 489.530 5.060 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)cc1 1800010972 QAYRPBXMCRBVEV-KGSLCBSSSA-N 487.003 5.065 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)c1 1803893157 DNGVZDKXFODAOJ-REPLKXPHSA-N 490.818 5.403 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)s2)[C@@H]1c1cccnc1 1804460180 GZPAGZUIGMWYSW-QPPBQGQZSA-N 453.652 5.083 30 20 JKED C[C@H](C(=O)N1CCCC2(CCN(C(=O)CCc3cccc(C#N)c3)CC2)C1)c1ccc(Cl)cc1 1805188914 KBPNMVWNJCYOBZ-NRFANRHFSA-N 478.036 5.179 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)ncc3Cl)CC2)C1 1805450648 OGWZGMKLTBEASP-UHFFFAOYSA-N 494.861 5.111 30 20 JKED C=CCSCC(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C2)CC1 1805635751 MDNWJZCPDZACAA-QHCPKHFHSA-N 463.087 5.230 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1 1805855103 KGMJAXDVOBYZMG-LJQANCHMSA-N 482.049 5.237 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)CCCC(F)(F)F)C2)CC1 1806542796 PEUHNMMLXBHBES-UHFFFAOYSA-N 458.641 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1810173589 JIQXQZJWGNUIMP-ZVBOOHQUSA-N 469.629 5.053 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1810173786 QQPXFHAPSYTILR-IMSXRSKXSA-N 474.630 5.088 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1)c1ccccc1 1810409204 JOHIDGMNVHLYFM-XNWTYBLDSA-N 495.623 5.290 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)CC1 1811364667 FGTNGMYGPFGTCT-XNMGPUDCSA-N 472.633 5.074 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811419539 IBKAVBPQRBFPLV-VNZMSGEBSA-N 467.013 5.143 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3c(Cl)c2OC)[C@H]1c1cccnc1 1811439014 SXIBZWPEACSBAD-QFQXNSOFSA-N 490.003 5.020 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1811695946 WOKITHDIUPAAFQ-WXVAWEFUSA-N 471.626 5.270 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)c1 1811832510 UBUWZXKVIVEEDY-HYBUGGRVSA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1812127823 QSIBUSOLFXZRSZ-AUSIDOKSSA-N 464.635 5.245 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c1Cl 1812994302 XLRJNRLTDKJLRT-ATIYNZHBSA-N 499.014 5.048 30 20 JKED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1813042773 LDAHJCWLKDEVFR-MFSJNOQSSA-N 481.706 5.315 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2cccc(Cl)c2)[nH]n1 1814439788 CQTSQKOUQFUTCH-FQEVSTJZSA-N 458.990 5.127 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)[nH]n1 1814442118 GMOJBPSKPGXOBA-SFHVURJKSA-N 463.504 5.122 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)cc1 1814500209 KBRWSRAYBMUKLR-QGZVFWFLSA-N 488.400 5.198 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCc3ccccc3F)n[nH]2)c1 1814854217 NMPHDJXFDUFGPY-KBMIEXCESA-N 487.579 5.505 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817755508 RWOIBDUVRRCAIT-DENIHFKCSA-N 493.995 5.792 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2)n[nH]1 1818229006 ZMXVDDWBBMCKJX-XUZZJYLKSA-N 469.589 5.546 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3cc(Cl)ccc23)n[nH]1 1819161521 DMGHGSNNMWHOLS-IBGZPJMESA-N 468.989 5.238 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820088883 BQWPUSGZNAFMMA-UTKZUKDTSA-N 487.560 5.048 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)[nH]n2)c1 1820482198 VYKHALPSMJBFHI-NEQMZLFVSA-N 493.489 5.319 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1 1820900707 HTARVQFMRMRTNH-BQXQKYNTSA-N 454.691 5.199 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1ccc(C(F)(F)F)c(F)c1 1821085297 FVNUFSAHWABFTL-HNNXBMFYSA-N 492.395 5.216 30 20 JKED COc1c(C)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1C 1821227691 CPUYMJWWNIKQID-YADARESESA-N 485.588 5.282 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1821990411 QDCYQGKSZFSTJQ-MRXNPFEDSA-N 474.405 5.085 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n[nH]1)c1ccc(O)cc1 1822326167 OACFSJMGSLHYJK-LYPBTDJXSA-N 496.611 5.108 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1822584760 ABAQLJVPTJIUEP-LJQANCHMSA-N 465.356 5.355 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnccc3C(F)(F)F)[nH]n2)c1 1823211184 KGROZHDUEUHOKP-QVKFZJNVSA-N 496.493 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCCn3cccc3)[nH]n2)c1 1823215556 VDBOISNFVRUXNA-YKSBVNFPSA-N 472.593 5.015 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)c1 1823292378 IKTXURYSKGLYII-QHCPKHFHSA-N 489.551 5.136 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1ccc(F)cc1C(F)(F)F 1823297903 VSTARPVSVQCRPZ-OAHLLOKOSA-N 480.384 5.216 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3c(C)cccc23)CC1 1823753005 BDEYDXCAEUAPFW-QFIPXVFZSA-N 450.627 5.097 30 20 JKED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824490333 BRSOVZFBLBMARO-KPKQQJEISA-N 499.095 5.272 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC(F)(F)F)CC2)cc1C#N 1824876665 URMBOLPCTKFFES-QFIPXVFZSA-N 493.570 5.311 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccnc2C)CC1)c1ccccc1 1825047750 ZCNMBTXOBBRVFM-FQLXRVMXSA-N 485.672 5.140 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c(C)noc2C)CC1)c1ccccc1 1825259353 DWNYYEJOTMNVHL-NSOVKSMOSA-N 489.660 5.041 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2n1 1827278142 PGMNHBSZDJGYHY-CLOONOSVSA-N 484.600 5.310 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330629 WGCVIORRPTZKIC-WXVAWEFUSA-N 459.634 5.503 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc4occc4c2)CC3)c1 1827696447 BZKYATWGNVTXQP-QRWLVFNGSA-N 470.554 5.056 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1827806721 UJKXXLMJGAHLIL-QFIPXVFZSA-N 456.011 5.129 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)cc2c1 1828124047 GJXVAOOFGNIQRJ-HBRDYDSTSA-N 489.641 5.210 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828295495 MWNZGPKSMCFFFZ-XMMPIXPASA-N 454.014 5.248 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1828827500 OGTQXOHDDIUHRL-RPLLCQBOSA-N 482.640 5.616 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1828828464 KNWYEQZRDFQNFI-JTHBVZDNSA-N 451.636 5.298 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CS[C@H]2CCCCO2)CC1)c1ccccc1 1829031564 BEBZRFYTBIZBJG-NSVAZKTRSA-N 496.717 5.063 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)c1 1829676417 ZYZWKAKTHRVPKZ-VWLOTQADSA-N 480.008 5.076 30 20 JKED COc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)cc2ccccc2c1Cl 1829707142 CBSNGSBTRZUOLP-HSZRJFAPSA-N 494.035 5.429 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830717208 HGQKUONDWDTFOU-MHZLTWQESA-N 475.608 5.297 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)cc3)CC2)c(Cl)c1 1830723152 GAAQGTCUSQSKRE-RUZDIDTESA-N 481.999 5.217 30 20 JKED COc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1C 1830724117 SRVOLYNQBIASSZ-DEOSSOPVSA-N 480.008 5.076 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)S)CC1)c1ccc(Cl)cc1 1831306832 KOIIJPWRGIMYEK-MTNREXPMSA-N 451.076 5.018 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1831445298 BQCMVCUBUDHVMO-CWKRKGSWSA-N 450.614 5.424 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831858369 LSTLKUMTBPUOFO-VWLOTQADSA-N 455.602 5.416 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c(F)ccc(F)c3F)CC2)c1 1832629301 NDNOQSBPEIPDAA-BVZFJXPGSA-N 497.561 5.207 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)c3cccs3)CC2)c1 1832633380 HECWELSKEWUEFC-NMMYMHLASA-N 463.647 5.412 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1832689694 VKPBSSAGNRMPLN-QHCPKHFHSA-N 470.654 5.238 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)c1 1846829998 GXASUITXYXAALH-IBGZPJMESA-N 478.552 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1c(Cl)cc(Cl)cc1Cl 1847428990 RQVBEGWJQUAHKR-ROUUACIJSA-N 473.828 5.220 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 10174449 VWJAIULCCQCKCP-UHFFFAOYSA-O 486.060 6.832 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760487 OCFGMQHQSJZDKP-UHFFFAOYSA-O 463.932 6.048 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1cccc(Cl)c1C 11256644 DOAWOQVWHUUMHY-UHFFFAOYSA-O 488.858 6.312 30 20 JKED CC[C@@H](C)n1c(SCc2cccc(C#N)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 11416437 BBIIWXDAQNVFEI-GOSISDBHSA-N 483.663 5.111 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(OC)cc1 20167042 JJMVZZAEIARYGF-MRXNPFEDSA-N 477.615 5.383 30 20 JKED C=CCN(C(=O)C[C@H](NC(C)=O)c1cccs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 21467782 MSMTXJJFRHDTIA-KRWDZBQOSA-N 480.442 5.965 30 20 JKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 21657218 YFGLTJLBDFHQOA-INIZCTEOSA-N 487.423 5.030 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 21930463 KEJFMDHFNMYPNB-UHFFFAOYSA-N 464.971 5.170 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc3c(c2)CCCC3)cc1 22728245 UVEBBCODFKITCP-UHFFFAOYSA-O 480.053 6.264 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 22735847 URHDJESLQCPRLB-UHFFFAOYSA-O 459.635 5.023 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 32785662 KJCJHLOCVIRPTH-PMACEKPBSA-N 460.647 5.292 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc(-c3ccccc3)nc21 59371626 RTPGQFALKLTOSX-OAQYLSRUSA-N 463.566 6.040 30 20 JKED COc1cc(C(=O)Nc2cccc(OCCCC#N)c2)ccc1OCc1ccc(Cl)cc1 71975142 LDCCSXOUFZIZOK-UHFFFAOYSA-N 450.922 5.862 30 20 JKED CCCOc1c(Br)cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1OC 208088418 JFQGBDUYMINYIW-FPLPWBNLSA-N 460.324 5.099 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 303035327 OORAFNRFDURPSE-UHFFFAOYSA-N 485.569 5.054 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)c(C#N)c3)cc(-c3ccc4c(c3)OCCO4)nc21 478109882 JJFNRIZKGCRJPQ-UHFFFAOYSA-N 473.920 5.228 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 478258448 ZHNSQGVGEIKNAB-UHFFFAOYSA-N 480.977 5.260 30 20 JKED CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)s2)c1 497340419 PLHOJGDNYKMHHT-KRWDZBQOSA-N 494.646 5.284 30 20 JKED CCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1c(Cl)cccc1Cl 501309154 JIBRNKPOJOVMIJ-HNNXBMFYSA-N 493.379 5.622 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)c2)cc1 501449028 XUMTVFMRVRWBEJ-UHFFFAOYSA-N 464.447 5.339 30 20 JKED C=CCN(C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc(C(=O)OCC)cs1 501942052 YCYNLQSADLJEDW-UHFFFAOYSA-N 462.527 5.478 30 20 JKED COc1ccc(-n2c(SCC(=O)c3cn(CCC#N)c4ccccc34)nc3ccccc3c2=O)cc1 502122164 ICYMXXFCTBFMFD-UHFFFAOYSA-N 494.576 5.238 30 20 JKED C=CCOc1ccccc1CN(C(=O)Cc1nc(-c2ccco2)oc1C)c1ccc2c(c1)OCCO2 503249434 BNOBKEYMIHKMRG-UHFFFAOYSA-N 486.524 5.355 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C(C)C)C2CCCC2)c1 504366166 SMZVMGSXQVGUEY-UHFFFAOYSA-N 461.027 5.515 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC(C)(CC)CC2)c1 504918354 IUERDGOMHZWWMJ-UHFFFAOYSA-N 461.027 5.374 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1 505703858 WRRXCJVCDKUKOH-UHFFFAOYSA-N 470.504 5.482 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1 505894425 DFGPPWGKAXJUCE-QGZVFWFLSA-N 492.048 5.525 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CCOCC2)cc1 510645530 MTCZFGVXYLZVAB-RUZDIDTESA-N 490.003 5.874 30 20 JKED Cc1sc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)nc1-c1ccc(Cl)cc1 511238202 ABLIZNXTUYBXNL-UHFFFAOYSA-N 466.994 5.397 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511339828 WVGOQECJHCWOOS-UHFFFAOYSA-N 497.382 5.741 30 20 JKED Cc1ccc([C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N2CCCC2)o1 513983063 LFTSGXLNYQZYGN-RUZDIDTESA-N 458.562 5.192 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 514651044 KJXNPVIBUWHTSH-UHFFFAOYSA-N 477.026 5.020 30 20 JKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2cnn(C(C)C)c2n1 516714199 UHLQQEUOZHGHOB-LJQANCHMSA-N 454.559 5.621 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)cc1 517800948 RLCWPQGVVSCNBX-HXUWFJFHSA-N 470.941 5.035 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)C4CCCCC4)c3)n2)cc1 517801052 WNAKDCBTPAEOEB-JOCHJYFZSA-N 454.555 5.691 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 518248152 FVRXNHZQSMQDBX-AVRDEDQJSA-N 477.561 5.095 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)c(C)c1 518515448 JNCSFCDCARJBDS-NRFANRHFSA-N 453.523 5.961 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1)c1ccccc1 519105716 AAQGAHYSWSEJSR-UHFFFAOYSA-N 461.521 5.666 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(COCc3ccccc3)cc2)cc1C 519947108 MJKYCVXOUBJPIY-UHFFFAOYSA-N 478.596 5.727 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)o2)cc1 520915704 QSEZSEZICBKTKV-UHFFFAOYSA-N 467.525 5.567 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1cscn1)c1nc(-c2c(F)cccc2F)cs1 521264162 YAAFDGBQJHCQIF-OAHLLOKOSA-N 453.495 5.614 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 521769872 VWDSUZKGYUYZHQ-XLIONFOSSA-N 458.649 5.029 30 20 JKED COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 521809379 FCFVVIJXISUONX-QGZVFWFLSA-N 459.015 5.093 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c(C(F)(F)F)c1 588245773 CCHMKISXOGMVTG-UHFFFAOYSA-N 456.314 5.239 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccccc1S[C@H](C)CC#N 596141410 KTZLMOOQLLUOCR-CQSZACIVSA-N 461.381 5.454 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)[C@H]1c1ccc(OC)cc1 603600908 MEEYIZUEOWSCQX-RPLLCQBOSA-N 498.583 5.391 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3Oc3ccccc3Cl)CC2)cc1 603653247 SZTLXTVABAKFRK-UHFFFAOYSA-N 460.965 5.744 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 603836602 LYPXUPJJCPJZPH-FQEVSTJZSA-N 488.590 6.281 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604086485 JMILCZZANGBNCY-UHFFFAOYSA-N 452.518 5.232 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(CN3CCCCCC3)CC2)cc1Cl 604212930 BILOXVOLYZSIFE-RUZDIDTESA-N 493.051 5.049 30 20 JKED Cc1cccc(C)c1Oc1ccccc1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 604317165 VARGMURDTBBYEO-UHFFFAOYSA-N 457.534 5.187 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1 604384937 UBASJBUHQRNBET-UHFFFAOYSA-N 479.458 5.757 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 609061298 YZTVQGWRIJDMHK-UHFFFAOYSA-N 485.418 5.547 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609062843 IBRMFWKJKFTWEI-SFHVURJKSA-N 494.016 5.798 30 20 JKED COc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 609068098 JGERSQMBERKUDQ-UHFFFAOYSA-N 489.818 5.774 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 609398033 CHCHKVVNOWXYGG-QGZVFWFLSA-N 488.451 5.571 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 609434516 SZPHKSDAFWDZHF-UHFFFAOYSA-N 454.574 5.726 30 20 JKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc2c(c1)nc(O)n2CC(F)(F)F 622571927 PZQFMPNOPBEJLX-UHFFFAOYSA-N 469.288 5.177 30 20 JKED Cc1sc2ncn(N=Cc3cn(-c4ccccc4)nc3-c3ccncc3)c(=O)c2c1-c1ccccc1 725735823 GIDYLEFZLQUFKB-UHFFFAOYSA-N 488.576 5.563 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cccs2)cn1 726117866 HDPKXQBABLNTNT-LJQANCHMSA-N 488.038 5.087 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Br)cc2)n1C 726318877 SGIDTETZBNJNCA-GOSISDBHSA-N 460.331 5.450 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(Cl)cc1 728777609 LOHKLLNRFHCMTA-HSZRJFAPSA-N 491.016 6.147 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)cc1 728777745 NPEWTWASRHQMKN-XMMPIXPASA-N 470.598 5.802 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c1 728780562 UHXKPRNSAMIEGZ-NRFANRHFSA-N 452.555 5.042 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729571767 PDKBEKNHPXOSEZ-UHFFFAOYSA-N 490.526 6.614 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ncccc2C)C1=O 729635011 ZDJPKCYASKGYSS-JOCHJYFZSA-N 495.004 5.213 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730686097 CZWATDUELPBTNW-CQSZACIVSA-N 469.206 5.023 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1C 730711859 HDUOVQFXIAVINB-NRFANRHFSA-N 482.993 5.414 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCSc1ccc(Br)cc1 730966858 IYOIVSFQYFZIGG-UHFFFAOYSA-N 454.393 5.457 30 20 JKED C#CCOc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)cc1 730980567 SOFUOVFHQBJECA-UHFFFAOYSA-N 488.775 5.223 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1 731305952 QNTKHGRTUNXHKC-OAQYLSRUSA-N 481.599 5.013 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731306029 JBXFUCQMZIVLNP-PKTZIBPZSA-N 475.545 5.179 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)c1 731320394 WWEGRQWMDMWVRV-HYARGMPZSA-N 472.957 5.978 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 731352012 JVVSRWVYLFSGRN-WOJBJXKFSA-N 472.614 5.622 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc3cccnc23)C1=O)NCc1ccccc1 744997072 LJLUQCBRVNZSDH-DEOSSOPVSA-N 480.593 5.073 30 20 JKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 746948206 ZAEWWIHTXCPTRK-ZIAGYGMSSA-N 464.372 6.146 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccc(Cl)cc1 747112052 NGRXFGYVTZEQLD-MRXNPFEDSA-N 464.761 5.660 30 20 JKED COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 797195426 JSXYMIYXYZCXPU-JJFYIABZSA-N 485.414 5.053 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1F 799211382 MFPXBLZQLRCIKC-MRXNPFEDSA-N 453.511 5.121 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(CC(F)(F)F)C1=O 799216321 WHYULSYMRKXTEH-HXUWFJFHSA-N 493.551 5.615 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](C)c2cccnc2)C1=O 837553144 YMJKCZOZSLJYBA-OPAMFIHVSA-N 495.004 5.465 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC(F)(F)F 838509600 GWVKDYHSYSGOID-HXUWFJFHSA-N 487.503 5.371 30 20 JKED C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[S@@](=O)Cc1c(F)c(F)c(F)c(F)c1F 914520648 HOJSWZMEDVZYKG-JHIUHSJGSA-N 479.776 5.330 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(SC(F)F)cc2)c1 914537888 GJFIRVDVOCJKQW-IBGZPJMESA-N 475.586 5.110 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C)n(Cc3ccccn3)c2C)n(C2CCCCC2)c1C 914903585 PPKQHADRWABTIC-UHFFFAOYSA-N 487.604 5.139 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)c(C)c1[N+](=O)[O-] 915085767 BQUGGEWOPREMFJ-VWLOTQADSA-N 465.513 5.364 30 20 JKED N#C[C@H](C(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3)c1nc2ccccc2n1C(F)F 915106828 GTFWEJGBMZXANR-CYBMUJFWSA-N 499.568 5.130 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccco3)C2=O)cc1OC 916207741 JVHUIYAYKFPRNS-QHCPKHFHSA-N 493.585 5.074 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCOC)cc1 916213394 CFFIAXPTFAPGIA-OAQYLSRUSA-N 490.025 5.044 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(OC)c3)C(=O)N2Cc2ccco2)cc1 916214560 ORTBVCXRZQOACM-HSZRJFAPSA-N 493.585 5.020 30 20 JKED COc1ccc([C@@]2(C)NC(=O)N(N=Cc3sc(Nc4ccccc4Cl)nc3Cl)C2=O)cc1 916331673 WQRNRAZOVDDPBS-OAQYLSRUSA-N 490.372 5.003 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN(Cc2ccccc2)Cc2ccccc2)cs1 916367795 PCUPDRKRYALCPY-UHFFFAOYSA-N 475.017 6.517 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1 916720333 IVLTVJCSINKZNW-RUZDIDTESA-N 481.600 5.103 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 916903007 MNYDWWQUGNQDGT-IBGZPJMESA-N 475.932 5.179 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 916907312 LTZSXSUYSVXFHM-LJQANCHMSA-N 494.016 6.048 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)cc1 916955524 RFXXKTLSKZRZTR-YWZLYKJASA-N 471.586 5.480 30 20 JKED COc1ccc(Cl)cc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995296 DRCMQMQJVFRFGD-HNNXBMFYSA-N 451.762 6.198 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 917505168 KJIUFDZDURWOKI-FYGXRCCRSA-N 480.973 5.795 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 917507384 VWTFLXDUFAGSHI-WCCCRJGXSA-N 492.934 5.733 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cs1 917561847 PKNHPUNVSXILBG-JCMHNJIXSA-N 499.592 7.000 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)s1 917673785 HUVQTBSMZOYSPQ-HXUWFJFHSA-N 453.564 5.356 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2ccc(C#N)cc2)C1=O 917674429 QAEKVKGYDWNQFW-RUZDIDTESA-N 498.608 5.344 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cccc(C)n1 917694894 QRIFHTVEFWASLV-QFIPXVFZSA-N 495.004 5.213 30 20 JKED COc1ccc(N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)c1cccc(F)c1 917934139 WZZCQHCLPOWJAW-CQSZACIVSA-N 466.900 5.051 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)n2)cc1 920139583 VKZLNPJNFVWRNS-JOCHJYFZSA-N 475.570 5.044 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1 920142708 MDJXOEIHTPGCDX-GCEHHRJPSA-N 491.657 5.352 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CCCO[C@@H]2c2ccccc2)C1=O)NC1CC1 920354755 HTWYLLMTJKXIQX-JKFKMHIGSA-N 498.048 5.108 30 20 JKED CCCCc1ccc(N/C(S)=C(C(/O)=C2/N=C(C)C(C(C)=O)=C2C)\[n+]2cc(O)ccc2C)cc1 920485695 AWVQJERMPJTBSV-UHFFFAOYSA-O 478.638 5.648 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c12 920681906 RSZJGWPAGOVCBR-CYBMUJFWSA-N 490.541 5.041 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C 920852073 QTJMJMJCCLREPO-PMACEKPBSA-N 475.568 5.086 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1=S 921054584 ICALUMWYIJGVKB-UHFFFAOYSA-N 494.064 5.179 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3cc4ccccc4n3C)cc2)CCC1 1786032467 MSWSZIKHVNFFGV-UHFFFAOYSA-N 451.517 5.066 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)cc1 1786333244 QALKAIMULLYSLS-IZZNHLLZSA-N 465.553 5.118 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1786367492 QYZUPYRKFMWUGP-UHFFFAOYSA-N 477.992 5.619 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4cccnc4)CCC3)cc2)c(O)n1 1787173153 VXGOHVNJSPVANU-UHFFFAOYSA-N 484.600 5.071 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)ccc1F 1787353210 HRWCDSJXNSQPJQ-UHFFFAOYSA-N 496.464 5.102 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnoc4C4CC4)cc3)CCC2)cc1C#N 1787598446 QUKMSGLBTRUHNG-UHFFFAOYSA-N 484.556 5.272 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5[nH]4)cc3)CCC2)cc1C#N 1788918871 LFXBQBGTHUFVHR-UHFFFAOYSA-N 493.567 5.283 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnn5ccccc45)cc3)CCC2)cc1C#N 1788932474 JNNVRCTUPNWDKN-UHFFFAOYSA-N 493.567 5.055 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)CC1 1789199506 UTSMEDPVULQORU-HXUWFJFHSA-N 496.652 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OC4CCOCC4)n3)CCC2)cc1 1789456603 XONIDWPTAIWQGS-XMMPIXPASA-N 489.616 5.156 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3cnc4[nH]ccc4c3)CCC2)cc1 1789458241 ROJSKJHCUVSCRN-XMMPIXPASA-N 456.590 5.398 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4nccn34)CCC2)cc1 1789509838 MVOMOOPWSKTTNC-UHFFFAOYSA-N 472.665 5.133 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cccc4ccccc34)CCC2)cc1 1789577655 TUWDJOMGGMQSEA-RDRPBHBLSA-N 451.526 5.300 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)c(F)c3)CCC2)cc1 1789579795 ZCYUCWRGJVOVLY-OKCVXOCRSA-N 489.547 5.074 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)cc1 1789875569 VBUUVMIFBPEOFR-UHFFFAOYSA-N 492.501 5.353 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C(F)(F)F)n4)CCC3)cc2)cc1 1790290239 NJVDZMSAXZBGGT-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc2)CCC1)C(F)(F)F 1790482467 PNFOLKVEJSWJKE-HNAYVOBHSA-N 497.558 5.178 30 20 JKED CCCC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)ON=C(C)C)cc3)CCC2)cc1C 1790566659 YDDBJDMHUUTKMA-FQEVSTJZSA-N 492.620 5.282 30 20 JKED CC(C)c1csc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)n1 1790703682 ZBUMZTMCGNGQMK-UHFFFAOYSA-N 458.587 5.394 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4CC(F)(F)C4)CCC3)cc2)cc(C(F)(F)F)c1 1790785577 RWHWSUSMFOZVIR-UHFFFAOYSA-N 477.433 5.370 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)cc2)CCC1 1790816933 HYHZVJJOQBSAGJ-UHFFFAOYSA-N 490.522 5.445 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)cnc4s3)cc2)CCC1 1790987797 ZTBQGJPTRGAGFH-UHFFFAOYSA-N 482.403 5.220 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791244019 JGUKQLYBHDDXBA-JTAQYXEDSA-N 483.653 5.416 30 20 JKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1)c1cccs1 1791815789 LXWSUFWQTSNJKE-INIZCTEOSA-N 469.570 5.047 30 20 JKED COC(=O)Nc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792127463 ZJENLXJQJWRMBU-IBGZPJMESA-N 496.567 5.553 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1798331230 BNXUKYANESTFMM-ADYITMSISA-N 478.633 5.660 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(C)(C)CC1)C2 1800131010 UVURFAMPBSSEQG-KAOXLYBCSA-N 489.701 5.091 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1800407591 CUIWQSZPLMSENT-MDWSFGPVSA-N 494.451 5.465 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1802499018 FJBUWIUOONCCMB-YADARESESA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1802501362 MGXCKXAWTSBPRR-XUZZJYLKSA-N 487.566 5.341 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1802577938 MSUDVCNDQLSMMP-QCIZPPPGSA-N 494.639 5.032 30 20 JKED N#Cc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)c1 1802957655 CUYUBEVTYPCUBZ-ZAVWCACUSA-N 498.671 5.198 30 20 JKED Cc1scc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)C2)c1C 1808786413 HJVJVOQPYLRTCZ-UHFFFAOYSA-N 456.011 5.049 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1810173472 JDGRQECQTMNGRY-VRUMLPLGSA-N 498.652 5.637 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1810179104 XOXOPTUYQNXRMZ-JXHRLWIKSA-N 489.513 5.328 30 20 JKED CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1810271374 HESOTUMNDHCTFE-AHKZPQOWSA-N 475.709 5.015 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)[C@@H]2c2cccnc2)c1 1811936920 FIASENWDGRLRFV-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1813050367 NVCRSLJDLMCSNN-VAVYLYDRSA-N 465.597 5.180 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)[nH]n1 1814443123 NDYPTJXDZQKTTK-QHCPKHFHSA-N 459.594 5.565 30 20 JKED CCCc1onc(C)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1818278305 ZACYHADLYBODBO-HXUWFJFHSA-N 483.689 5.016 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)[nH]n2)c1 1820485794 FRLQZLSCTCHDOS-LJQANCHMSA-N 485.441 5.059 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc(Br)cnc23)n[nH]1 1821548873 DSXBFMIZOOJXKE-MGPUTAFESA-N 496.409 5.239 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(Br)ccc2Cl)[nH]n1 1821926397 OUWDNAYERMMGNF-IFXJQAMLSA-N 493.833 5.273 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[nH]n1 1821988207 PTKPWNTXFKVRQV-HNAYVOBHSA-N 498.496 5.522 30 20 JKED CC(C)c1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)cc1 1822138006 IDVRIEMGASGUQX-XMMPIXPASA-N 473.552 5.092 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CC(c4ccccc4)(C2)C3)n[nH]1 1823593513 QTQKRXGOLYXYRI-LDBSLTPYSA-N 458.606 5.292 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1823685493 YYFFAAWBWJSERE-QWXNGLIISA-N 499.655 5.223 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)CC2)c(Cl)c1 1823782598 CWVPJSUCSDIUNY-RUZDIDTESA-N 476.020 5.177 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1823885258 MBIKRKIOTZYSTK-VWLOTQADSA-N 483.616 5.013 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)CC1 1824041295 YJLGYBNYASPKEF-BDYUSTAISA-N 461.650 5.109 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827362733 GPJRGAUOTCYBRM-MUUNZHRXSA-N 479.624 5.549 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1827728577 OUEGAMBPAHRULH-VWLOTQADSA-N 493.648 5.576 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1828268833 TYDZTYHTCJSZTB-NRFANRHFSA-N 488.554 5.009 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc3c2CCCC3)CC1 1828569571 XGLDHCALEAINDL-HXUWFJFHSA-N 450.595 5.072 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828676402 SPMFCWMQTMTVGQ-JOCHJYFZSA-N 453.652 5.522 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2SCC)CC1 1828825056 SICLDPKAEDWCOU-FYYLOGMGSA-N 455.668 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1829066812 UQENDSIEDFAPMP-FQEVSTJZSA-N 453.549 5.259 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c(C)c2C(=O)OCC)CC1 1829068165 IVRYVJJQTWXAFU-XMMPIXPASA-N 499.696 5.045 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)c1Cl 1829685658 MJWPADGFSYLJSL-OAQYLSRUSA-N 477.983 5.270 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829686165 XCAGLORGUFLOBI-HSZRJFAPSA-N 454.014 5.213 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829973981 OJKYPGWGAMSGKN-QFIPXVFZSA-N 467.437 5.210 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830275353 YETXVPXNSCIWAW-XUZZJYLKSA-N 468.041 5.437 30 20 JKED COc1cc(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830463423 FSZJOZPBMHARDT-DEOSSOPVSA-N 480.008 5.076 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1830628856 QMFTUTFZQQACOP-MUUNZHRXSA-N 492.623 5.362 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830632131 ABSFDRRPPTUDDA-DEOSSOPVSA-N 464.009 5.262 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)CC2)c1 1830653976 KAMXOOQKALLRKY-JOCHJYFZSA-N 488.390 5.551 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830720954 PADVPIIEGNPEPZ-NIYFSFCBSA-N 494.035 5.257 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3F)CC2)c(Cl)c1 1830722532 MDLOWYJYZSLWIA-JOCHJYFZSA-N 471.935 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1830811944 XUDNGIWBJMMKQL-RPWUZVMVSA-N 466.622 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)CC1 1831203716 WUNFVHVBPLGJED-NSOVKSMOSA-N 479.709 5.458 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1 1831297740 OMQBPQKEWKVLEV-DEOSSOPVSA-N 483.534 5.053 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1831514838 KSUGDEJXWXBUCV-LXFBAYGMSA-N 471.645 5.407 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)cc1C#N 1832703748 RLZLCYKFBIVZQH-RUZDIDTESA-N 494.035 5.546 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)CC2)c(Cl)c1 1832984538 SRCMFPVEYZPDGJ-OFVILXPXSA-N 475.967 5.191 30 20 JKED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](c1ccc(OCc2ccccc2)cc1)C(C)C 1848063746 BARDWMHONSEMQG-UNCTUWKVSA-N 492.685 5.126 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 8988990 MZCLNTACIRDYPT-UHFFFAOYSA-N 466.010 5.753 30 20 JKED C=CCN(C(=O)c1cc(C)nc2c1cnn2C(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 10962342 XKMFSLYUMVUILG-UHFFFAOYSA-N 462.535 5.185 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1 11153154 SFGZNURQENLCIY-UHFFFAOYSA-O 486.060 6.886 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)c3cnn(C(C)C)c3n2)c(C)s1 14326085 YONFVYCVKBEAFZ-MRXNPFEDSA-N 487.585 5.413 30 20 JKED C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16336834 WHZFFSVYRUKTTL-ZDUSSCGKSA-N 487.651 5.611 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)n(C2CCCCC2)c1C 16629077 LPCPMFOEWSPZSO-UHFFFAOYSA-N 498.798 5.215 30 20 JKED C[C@@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)N(CCC#N)c1ccccc1 21683941 QZVPZMOKQIMWLV-OAHLLOKOSA-N 480.640 5.151 30 20 JKED Cn1ccnc1[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 23777078 QFCANVCCPWMZGU-DBKQCEECSA-N 471.376 5.516 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 25439336 CZMRJKIIYMRFJZ-UHFFFAOYSA-N 471.941 5.333 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 28793686 JVVSJZAWTPYFEK-UHFFFAOYSA-O 476.666 6.032 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccccc1 32842624 YYARKMMIBRYDCJ-UHFFFAOYSA-N 469.542 5.264 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 59769867 KZJAFDXHCAOMNS-UHFFFAOYSA-N 451.866 5.975 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 106032745 ZLSCLUZARWYRRL-AREMUKBSSA-N 451.574 5.031 30 20 JKED COc1ccc2c(-c3ccccc3)c(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)oc2c1 108845307 LMWRYPWNIQSQEP-UHFFFAOYSA-N 494.507 5.190 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)nc3cc(Br)ccc23)cc1 195630566 UMOASDALCOLPTR-UHFFFAOYSA-N 464.363 5.372 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 247987143 KLOFWKXVHAPLJP-UHFFFAOYSA-N 461.612 5.790 30 20 JKED C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 253593429 DDLMLVDEGJDJAF-ZDUSSCGKSA-N 490.610 5.456 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1Cl 480126925 UEACDOGVTFVVER-JTHBVZDNSA-N 459.933 6.093 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)cc2)c1C(F)(F)F 486984882 MPELYQUHSJDZBX-MRXNPFEDSA-N 484.478 5.163 30 20 JKED N#Cc1cc(NC(=O)CSCc2cc(-c3cccs3)on2)ccc1OCC(F)(F)F 498302769 FJAGTRLLWVEFKM-UHFFFAOYSA-N 453.467 5.088 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 498487626 KBEQKEUASMMREN-UHFFFAOYSA-N 473.989 5.210 30 20 JKED O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1cccc(C#Cc2ccccc2)c1 499760450 DAZOQWFQURYEKQ-HSZRJFAPSA-N 492.362 5.237 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502961036 LWBNWBZJENTNSD-UHFFFAOYSA-N 472.397 6.298 30 20 JKED CC(C)c1noc(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)n1 503382651 BSZLVSFOSHGOMN-UHFFFAOYSA-N 469.520 6.105 30 20 JKED CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(=O)Nc1ccccc1C(F)(F)F 505078971 XFQUDEXTUGZVGU-OAHLLOKOSA-N 492.567 5.053 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c1 505488454 UXWMHBLLDXTDPZ-OAQYLSRUSA-N 471.626 5.378 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 505803026 QNGCEBFURCANCB-UHFFFAOYSA-N 480.568 6.277 30 20 JKED CCC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 506332169 MEYYMTVIHMDZHU-IRLDBZIGSA-N 458.953 5.701 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)N2CCCC2)cc1 508290032 QUBLPMYZYJCVGO-RUZDIDTESA-N 486.572 5.326 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 509962336 BTONMOIASUIAGZ-FQEVSTJZSA-N 468.406 5.169 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCc3ccccc3)CC2)cc1Cl 510011192 TXQNHLVPVYUICL-RUZDIDTESA-N 459.977 6.209 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 510660903 VXKBQUZBTYZUGG-UHFFFAOYSA-N 454.530 5.085 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)s2)c(C(F)(F)F)c1 512188216 XAATZOMPLCIUSA-UHFFFAOYSA-N 489.494 5.450 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 512856271 MEFNFAQWWHPONT-WNCULLNHSA-N 453.542 5.076 30 20 JKED N#CCc1ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cc1 514227719 UMXTVAKZMZJCPK-JOCHJYFZSA-N 450.995 5.389 30 20 JKED CCOc1ccc([C@H]2CCCN2CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 514329723 MVXNVXBQDRMGOU-RUZDIDTESA-N 460.578 5.182 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 516083906 CTAWAQDWSULUFO-UHFFFAOYSA-N 499.464 5.250 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)NCC#N 517481337 UPORAQLIUGGKOA-UHFFFAOYSA-N 481.577 5.383 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OC(F)F 518754413 KUKHGJRPDRLMQW-UHFFFAOYSA-N 467.472 6.015 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 519879387 OTHMHXISVAZOTC-SANMLTNESA-N 464.569 5.578 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 520199643 CWMJWIREDADOSI-LJQANCHMSA-N 485.609 5.328 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCC(=O)N1CCCC1)c1nc(-c2c(F)cccc2F)cs1 520427658 UAHMWACLTVROHE-INIZCTEOSA-N 483.565 5.293 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1-c1ccccc1 520833444 BJEFKBZCZPVKTQ-QGZVFWFLSA-N 469.532 6.817 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1SC[C@H](C)C#N 521260067 URARNNFOGJDTEM-ZBFHGGJFSA-N 454.596 6.392 30 20 JKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Br)cc1Br 521328417 RJGOIQJXUASHDZ-LLVKDONJSA-N 490.242 5.407 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1 523216337 FKCISDHGXMBMMZ-OAQYLSRUSA-N 473.529 5.029 30 20 JKED N#CCCn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 553024642 YKPWCCOUTCDKMO-GOSISDBHSA-N 486.557 5.001 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3ncon3)cc2)nnc1-c1ccc(Cl)cc1Cl 588831803 YTBJFSIWLIOUGJ-UHFFFAOYSA-N 487.372 5.219 30 20 JKED O=C([C@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593039742 MGBGLSILFLWYLK-HBUWYVDXSA-N 467.356 5.674 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 603645528 ISXVUZGARDKPCY-UHFFFAOYSA-N 499.371 5.198 30 20 JKED CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603650129 PBPXVOYIDDKHLB-UHFFFAOYSA-N 453.637 5.043 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(COc4cccc(F)c4)c3)CC2)cc1 603658013 DWTSZJDKJGWWIZ-UHFFFAOYSA-N 458.537 5.016 30 20 JKED CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603757260 JZSGSDCUDJYPOK-GOSISDBHSA-N 492.548 5.079 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)c2cccs2)cc1 603802032 YJMSOCAXATXYOX-DVECYGJZSA-N 459.619 5.149 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)s2)cc1 604085008 SGERFFXFRNBNQY-MRXNPFEDSA-N 463.510 5.517 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 604396923 UHACCRCUKWRDBO-VGOFRKELSA-N 499.011 5.165 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)c2)cc1 604468244 UPZHFORLFLHICV-JOCHJYFZSA-N 474.992 5.633 30 20 JKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078477 SREIZXDAGFCYQE-UHFFFAOYSA-N 459.546 5.517 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2F)c1 609104082 NMLYFHQLKYANHW-UHFFFAOYSA-N 471.513 5.842 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)cc2F)c1 609105458 YWWGRBCXJBREDI-UHFFFAOYSA-N 485.559 5.086 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc(-c2ccccc2)cs1 613392550 YNNKPSSHDPXDMX-IBGZPJMESA-N 479.355 6.235 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)nnc1-c1ccco1 614012864 ZXKZCFONADVMCD-JOCHJYFZSA-N 462.600 5.052 30 20 JKED C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 620001968 IOGKYWDKAUDRBA-SCUASFONSA-N 480.371 5.897 30 20 JKED CC(C)CN(CCc1ccc(F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622092999 RVSYIDNSAUQGEI-HOTGVXAUSA-N 456.446 5.945 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1NC(=O)c1ccco1 642281713 CLWJSVIVXVQBIC-GOSISDBHSA-N 461.930 6.107 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H]2CCc3cc(C)ccc32)cn1 726114515 XDLCCZGGJNMCFE-RPWUZVMVSA-N 487.629 5.168 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCN(CC3CCCCC3)CC2)cc1 726247854 JRTJKWXPNOYTGD-UHFFFAOYSA-N 462.613 5.454 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C#N)c(Cl)c2)s1 726405108 BUQNZXBXZDHUQZ-NRFANRHFSA-N 495.029 5.742 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccccc2)c1 726406203 VAMOMIRXKOIFJF-RUZDIDTESA-N 481.577 5.031 30 20 JKED COc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3cccc(OCCCC#N)c3)s2)cc1 726743714 OFFLCHFHCUYJDB-XMHGGMMESA-N 454.939 5.218 30 20 JKED O=C1/C(=C\C2=Cc3ccccc3OC2)CC2(C/C1=C\C1=Cc3ccccc3OC1)C(=O)Nc1ccccc12 726743940 SVAMYACSGPENAQ-WFOJNGAISA-N 499.566 6.044 30 20 JKED COc1ccc(/C=C\C(=O)c2sc(/C=C/c3ccc(OC)c(OC)c3)nc2C)cc1OC 726848397 PLAIDPNAOUANOQ-YQTIHFHPSA-N 451.544 5.552 30 20 JKED Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)cs1 727562384 USZOEIKMSDEKNT-UHFFFAOYSA-N 488.544 5.332 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(Cl)cc1 728777635 LVENBYRUOLGPJF-HSZRJFAPSA-N 491.016 6.147 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2CCCCC#N)cc1 728778639 TZSPFFDZNWQISV-JOCHJYFZSA-N 493.589 5.372 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)nn1-c1c(Cl)cccc1Cl 729069266 HIRDUWPOAQINCZ-QGZVFWFLSA-N 492.366 5.812 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\[C@H](C)c1cccs1 729146830 ZCYJJBBDEOMREQ-QKBOTHQMSA-N 488.635 5.242 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)c2)cc1 729375252 AWDDDSKREJJICH-UHFFFAOYSA-N 481.961 5.041 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 729570095 XQVDSUZQRQNXJB-JOCHJYFZSA-N 478.593 5.309 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(F)cc2F)cc1 729668323 HGCBYAGAKKELLK-UHFFFAOYSA-O 487.548 5.586 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)c1C 730445276 WEPUNALZYPSVBY-HSZRJFAPSA-N 476.602 5.111 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCC2)cc1Cl 730461476 CUJSPJSKPIPFEG-NRFANRHFSA-N 472.010 5.478 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CCC2)C1=O 730462185 XJUBANYPIIEYCT-LJQANCHMSA-N 478.401 5.515 30 20 JKED O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2-c2ccc(F)cc2)cc1 730549051 IFECFHDPVAWUCT-UHFFFAOYSA-N 485.504 5.016 30 20 JKED COc1cc(/C=C\C(=O)c2cc(Cl)ccc2OC)ccc1OCC(=O)Nc1ccccc1Cl 730583162 CVHYFUSYZQOSLI-YFHOEESVSA-N 486.351 5.924 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O)Nc1ccc(Cl)c(Cl)c1 730717604 PKBRVQDMYDUPMW-GOSISDBHSA-N 493.347 5.281 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2CC)N(Cc2cocn2)C1=O 730718342 ISQMHTUAFLXPJJ-QHCPKHFHSA-N 492.601 5.186 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1sc(N2CCCC2)nc1Cl 730995841 VAGUNAGEABKVLR-UHFFFAOYSA-N 460.934 5.674 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 731028000 FADDHIBOIHZYKT-JTQLQIEISA-N 463.217 6.603 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 731065718 MEJJBJYPPZCAGT-VIIAAUOXSA-N 482.911 5.806 30 20 JKED C=C1CCN(C(=O)/C(=C/c2ccc(OC(F)F)c(OC)c2)c2ccc(OC)c(OC)c2)CC1 731196534 DREISAAEDBAJPZ-CPNJWEJPSA-N 459.489 5.033 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C(C)C)cc1 731309541 XDRYJBPUAAZRSM-QHCPKHFHSA-N 492.601 5.281 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2)cc1Cl 731315231 BBIKZSSVKBMZAO-QFIPXVFZSA-N 490.972 5.078 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 731324413 FDUMCPJFVORPGD-OAQYLSRUSA-N 453.523 5.489 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1CSc1cccs1 742980338 PNNMYBSTZAWDHB-UHFFFAOYSA-N 494.619 6.198 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(C[C@H]2CCCO2)C1=O 743524719 MCKGJQTYAXZIDS-JPYJTQIMSA-N 499.608 5.062 30 20 JKED CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)s1 747200394 HEYBDKQWRMLGKN-DHZHZOJOSA-N 455.963 5.886 30 20 JKED CC(C)C[C@H](C)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc2[nH]ccc2c1 750826530 PDBFYZKEALUMFJ-IBGZPJMESA-N 485.588 5.972 30 20 JKED N#CCn1c(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)nc2ccccc2c1=O 752793501 VOBPZPUTYVXAHA-UHFFFAOYSA-N 484.972 5.113 30 20 JKED C=CCN(C(=O)COC(=O)c1ccc(COC)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 761221462 NSMKSUBEMGILHG-UHFFFAOYSA-N 481.357 5.232 30 20 JKED CC(C)OCc1c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)oc2ccccc12 786243915 BYIIRXWOZIZXEQ-UHFFFAOYSA-N 466.559 5.355 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nc2sccc2c1=O 832027269 LHHRAPGRFIFCAZ-OAHLLOKOSA-N 477.636 5.954 30 20 JKED C=CCn1c(SCC(=O)OCc2nc(-c3ccccc3)oc2C)nnc1-c1ccc(Cl)cc1 841443531 ULBNLNOQDVQHLU-UHFFFAOYSA-N 480.977 5.583 30 20 JKED O=C(CCC[S@@](=O)c1ccc(Br)cc1)N(O)Cc1cc(Cl)cc(Cl)c1 901378532 LQHXQRBVHTXJKA-RUZDIDTESA-N 465.196 5.062 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CSc3nc4ccccc4s3)s2)cc1 901987830 JJWLIHHVKIEVGG-UHFFFAOYSA-N 455.615 5.043 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 914915539 CODMTXKZGKQFQS-IBGZPJMESA-N 463.603 5.098 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915084961 BTVVYBREMBXYJH-DEOSSOPVSA-N 453.567 6.492 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 915086102 RMMOOSJFPPTMPG-NRFANRHFSA-N 460.946 5.776 30 20 JKED CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(OCC#N)cc1 916151865 GGMTXKWQRFBEOB-VMPITWQZSA-N 465.141 5.409 30 20 JKED C=CCN1C(=S)N[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916168107 XTCLYLGKQIQVDN-HXUWFJFHSA-N 461.509 5.044 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O)Nc1ccc2ccccc2c1 916209265 IFZCPWIFMOSTAF-DEOSSOPVSA-N 484.556 5.534 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccccn3)C2=O)c1 916215477 WPDDGSRYTQCNRW-JOCHJYFZSA-N 479.005 5.512 30 20 JKED CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)C1=O 916329422 INRCVNPTKRMRQD-HSZRJFAPSA-N 491.564 5.111 30 20 JKED Cc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 916367695 LFTBOYBZAWPKAY-KRWDZBQOSA-N 469.920 5.380 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 916902308 DLCCBYPSPKQBES-OAQYLSRUSA-N 491.016 6.135 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1NC(=O)c1ccccc1 916932573 YRRASIYHNAPHLX-GOSISDBHSA-N 466.324 5.515 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3ccccc3)cc2)cc1 916942574 MJGZOTIXVQNTFH-HSZRJFAPSA-N 458.539 5.117 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1 916947793 BCIGSHYFCCYDGN-DFBJGRDBSA-N 495.645 5.114 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995673 CEZIWXOKTKDLJH-PBHICJAKSA-N 477.417 5.221 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(F)c(Br)c2)cs1 917559321 IBGSYRFEJLSHMK-POHAHGRESA-N 459.340 5.934 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCCCC3)c(F)c2)cs1 917559643 LPIGDAWPXLCIQT-XYOKQWHBSA-N 467.541 5.992 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)c(C)c1 917702013 PSHVAQKUDWNAAC-DEOSSOPVSA-N 486.572 5.475 30 20 JKED Cc1nc(CSc2ccc(C(=O)OCC(=O)N(CCC#N)c3cccc(C)c3C)cc2)cs1 919054124 KXLGVEZWHDPXDX-UHFFFAOYSA-N 479.627 5.464 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 920353089 AMYOGAHPWKUSSZ-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C(C)C)cc1 920353542 MEPIXECLYDSMNR-QHCPKHFHSA-N 476.602 5.575 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2cccc(C(C)C)c2)no1 920358820 BXXHIUMACDPATI-JOCHJYFZSA-N 498.555 5.545 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2cn3cc(Cl)ccc3n2)C(=O)c2ccccc2)c(Cl)c1 920756302 YIDPCLYINBDGNR-UDWIEESQSA-N 464.352 6.163 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCOc1ccc(Cl)cc1)C2 1779509824 XDHQGHRRQVCQCF-YIXXDRMTSA-N 491.072 5.005 30 20 JKED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)C2)C1 1782112532 PLIQPNNSEYQLHE-RCRUUEGKSA-N 484.596 5.288 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)cc1F 1785797699 GAMSQCSOFZFPJU-UHFFFAOYSA-N 485.559 5.015 30 20 JKED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)c3ccc(Oc4ccccc4)cc3)CCC2)cc1 1785839501 KYCXRLFOQIEFAL-ZCXUNETKSA-N 495.579 5.085 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)cc2)CCC1 1787037540 RWLWZJHWBCFLMQ-UHFFFAOYSA-N 455.558 5.242 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3C)cc2)CCC1 1787046775 APDOFXUJGGCJQM-OAQYLSRUSA-N 482.422 5.669 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(Br)sc4c3)CCC2)cc1 1787887750 WXAGNVBXEXYRJX-UHFFFAOYSA-N 483.391 5.110 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C)nc(O)c3)cc2)CCC1)c1ccccc1 1788595070 WQZJBMGZUHSXRU-RUZDIDTESA-N 467.569 5.041 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccc(OC)cc5[nH]4)cc3)CCC2)c1 1788975978 KSCKVVBZZGDRGD-UHFFFAOYSA-N 494.551 5.118 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Br)cn34)cc2)CCC1 1789394940 NKXUGJGBKSXTFU-INIZCTEOSA-N 481.394 5.057 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccs5)on4)cc3)CCC2)c1 1789776028 LCUXNKMYNPXWMC-UHFFFAOYSA-N 468.538 5.336 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3=CCCC3)CCC2)cc1 1790519337 KRIWEUILDBLFHR-JOCHJYFZSA-N 467.610 5.090 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1 1790744879 YWYVIAKIELFWSP-UHFFFAOYSA-N 496.405 5.051 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790870956 MENJOOWWKLGQPL-MUFRIFMGSA-N 486.959 5.348 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)CCC2)cc1 1791299288 ZTOWQTYRSYOYIS-MDWZMJQESA-N 490.554 5.290 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)cc2)CCC1 1791662937 FOXUNDDFKCOWRJ-MRXNPFEDSA-N 492.925 5.074 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cccc3s2)c1 1797649713 CUJROZYANZLOSJ-REPLKXPHSA-N 463.990 5.300 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 1798593298 AQTXPBAZWXNKJA-BCDXTJNWSA-N 455.580 5.054 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(Cl)s2)[C@@H]1c1cccnc1 1802491544 JJYXOEXQXINWEA-PGRDOPGGSA-N 460.043 5.037 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)[C@H]1c1cccnc1 1802498554 CIQROSXCTGFCHE-GMQQYTKMSA-N 490.692 5.163 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@H]1c1cccnc1 1803088109 HHLXYNLQKWEROK-DHLKQENFSA-N 463.647 5.110 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)[C@H]1c1cccnc1 1803089327 NYQZYSFLGMMPRB-WVADOKLZSA-N 451.655 5.462 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)[C@@H](c4ccccc4)C(C)C)C3)CC2)c1 1805624157 ZIWPQZRHFOGARW-AREMUKBSSA-N 457.618 5.151 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)C1 1806676758 HSMONLZNCZHCDH-UHFFFAOYSA-N 469.478 5.076 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1810171130 DWQNYQOGMFBEQB-IWVFXYMLSA-N 494.639 5.540 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810171542 GKRRYGBOCQTEBF-FYHLHOPESA-N 478.036 5.313 30 20 JKED CC(C)c1csc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)n1 1810275575 YYHOJIAXVIKRHG-QPPBQGQZSA-N 496.753 5.032 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1)c1ccccc1 1810446133 NJJZVICSLKMJBX-MPYJOUPCSA-N 496.655 5.224 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1810495503 SMVQKSAMNRHCON-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1810495649 UIMLYCNIYOVBFN-IXCJQBJRSA-N 469.629 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1810504239 XVOCRDQTJDASNY-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)no2)[C@@H]1c1cccnc1 1810858894 XHUOHWVOSWPBBV-RDGATRHJSA-N 472.589 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811788981 QQVOKDZXZLKOMV-VGOFRKELSA-N 492.422 5.840 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccnc1 1812024585 MYRKZSUHYRLUOU-NOZRDPDXSA-N 463.622 5.182 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c1 1813869588 KXLICOKTVYALFC-QIDLSXJSSA-N 492.623 5.150 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1)c1ccc(O)cc1 1815022431 DMRHKFNPLFOORH-REWPJTCUSA-N 498.574 5.130 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)n[nH]1 1816223699 MPHBDDZTFUSIHI-CVDCTZTESA-N 494.546 5.152 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)c(C(F)(F)F)o1 1816469771 XALQGGYESWPCQN-FQEVSTJZSA-N 499.493 5.140 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1818291518 QHUCEAVXYSPCQK-VLIAUNLRSA-N 499.493 5.577 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1 1818808391 XNIKGSNLDLGUSP-JAXLGGSGSA-N 499.656 5.008 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]2)cc1 1818868493 XFMGKOLYIUJPJL-AOHZBQACSA-N 487.991 5.239 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4[nH]3)n[nH]2)c1 1819192304 MWZZOLKNOQNOHV-BTYIYWSLSA-N 472.574 5.199 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)[nH]n1 1819306663 BUVALVTZXBCFHQ-KRNOPLPVSA-N 462.619 5.058 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)n[nH]1 1819409973 GQUGYHOJFDPIPM-DLTYFMDKSA-N 462.619 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)[nH]n1 1819552875 HTJSWCPNBOBGLZ-XPNTWCBSSA-N 464.610 5.207 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cnc2Cl)n[nH]1)c1ccccc1 1819700304 WVZZISYBSYZJOJ-UGKGYDQZSA-N 493.970 5.100 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c1Cl 1820906152 OCGUXYRBSBESKJ-IWGBCORSSA-N 465.985 5.377 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821089507 JNIFLACSRLLMBW-SFHVURJKSA-N 466.891 5.191 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)CC1 1821272809 RDEVUXKIWNULJT-JOCHJYFZSA-N 465.573 5.333 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)[nH]n2)c1 1821321256 CQZLRUWDIDYRJY-XTXLOEGASA-N 487.526 5.264 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccc(Br)cc3n2)[nH]n1 1821921208 OFVOBJNLJDWGPH-YCRPNKLZSA-N 496.409 5.239 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1822392656 XNRODGAXRBPKLO-NRFANRHFSA-N 469.545 5.260 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1822585551 VKVXHRBMPHMOOC-IBGZPJMESA-N 464.463 5.067 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cnc(C)s2)n[nH]1)c1ccccc1 1822928931 OHJALKLSWBJDQG-LDSODUJTSA-N 487.629 5.077 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c(F)c1F 1823198376 YOFSXUITDFORCI-GOSISDBHSA-N 483.906 5.141 30 20 JKED COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c(Cl)c1 1823247555 IAVLFIRRYSBANM-FQEVSTJZSA-N 498.370 5.216 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823293098 YUHWSXQLNLZMLP-JTHBVZDNSA-N 475.593 5.143 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)n[nH]2)cc1 1823300542 OISBXNBUAWUVID-OAQYLSRUSA-N 499.468 5.253 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c[nH]c4cccc(Br)c34)CC2)C1 1824257651 JWZSAUZGUWQAKO-QHCPKHFHSA-N 498.465 5.059 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 1824960865 YXFMTGCCNZSQNA-QFIPXVFZSA-N 494.623 5.276 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ncccc2C)CC1)c1ccccc1 1825116605 XGGBYRPDRMSTHK-YTMVLYRLSA-N 485.672 5.140 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)CC1 1826236527 UNEZRLPFEAEADJ-DQEYMECFSA-N 497.680 5.147 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)cc2c1 1828123589 XIFOECJEIHBRNQ-HHHXNRCGSA-N 468.601 5.090 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 1828827738 TWGKQVMNURAPFD-UPVQGACJSA-N 468.638 5.014 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(Br)nc2C)CC1 1828829236 ZIPNSTFDYPHGOV-RBUKOAKNSA-N 494.499 5.216 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1828831574 VZMCEZKKDMZLTE-BJKOFHAPSA-N 466.622 5.003 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2OC)CC1)c1ccccc1 1829033373 VMLVJMDFMLXXGQ-BJKOFHAPSA-N 478.658 5.187 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1829647254 GDHIMTRIGSJRET-CPJSRVTESA-N 467.654 5.179 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)c1 1829675837 KRSGPEBEKWGBGR-SIBVEZHUSA-N 494.035 5.257 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1F 1829689665 LONVLTBUDBHRHN-QHCPKHFHSA-N 467.972 5.206 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2Cl)CC1)c1ccccc1 1829862407 IBZDCTIJNUMQFJ-UPVQGACJSA-N 467.009 5.364 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1829957186 CEKSTNGLVZHWNS-PMVMPFDFSA-N 475.555 5.160 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1830057146 IJUPAZICXAEQEF-BYUVYSIJSA-N 478.658 5.544 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830494406 XQYANJRROYTSDF-KAYWLYCHSA-N 490.644 5.285 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830536701 PJZRKBQPKXEGAF-IIBYNOLFSA-N 486.962 5.183 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)CC1 1830591020 QEVHDABEHSDOKL-MHZLTWQESA-N 463.666 5.104 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4F)CC3)CC2)c(Cl)c1 1830723724 NOYGAPVYYNPZJB-RUZDIDTESA-N 494.010 5.316 30 20 JKED CC(C)/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755622 LKWWRCRCYYZNGR-WMWRJIBUSA-N 461.528 5.023 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1831376459 QZAAXOGWAUMCCR-SVHBDMKASA-N 473.455 5.294 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1831577376 HUFXBRCDWGHLBV-IRVFAMIHSA-N 460.707 5.074 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1831849910 JJMIAAGQMWJQLC-VWLOTQADSA-N 466.025 5.233 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cccc(Br)c3n2)CC1 1831852184 UUAZMGCWHCIVLY-QHCPKHFHSA-N 496.449 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1832632810 CJZQUOHAKJEDFK-SIBVEZHUSA-N 489.019 5.386 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@H](S)C(C)C)CC3)c[nH]c2c1 1832960830 QLFNZGIAPCYTEO-ZMSIXCCISA-N 467.679 5.064 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)c(Cl)c1 1845488918 OWQGWDRBALKTBM-UHFFFAOYSA-N 491.925 5.288 30 20 JKED Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)Nc3sccc3C#N)c12 8888058 NMXIKCRJFONPSL-UHFFFAOYSA-N 499.577 5.186 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10172452 ZMKYXFWLWIVDJY-UHFFFAOYSA-O 487.670 7.058 30 20 JKED COc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3C(C)C)=C2C)cc1 10358287 XYZHPMFMMGIRSC-HHHXNRCGSA-N 496.636 6.039 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccc(Br)cc1 10609753 MHYZETJMIUDCLO-UHFFFAOYSA-N 488.798 5.889 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Br)c2)cc1 11085002 MNGOZBIJKBNIHC-UHFFFAOYSA-O 476.366 5.628 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2C)c1 16020683 OPUWFQKBVPPESB-UHFFFAOYSA-N 454.979 5.590 30 20 JKED Cc1ccc(-n2c(SCc3nc4ccccc4c(=O)n3CC#N)nnc2-c2ccc(Cl)cc2)cc1 22679424 BIEVBJBVIAEXGM-UHFFFAOYSA-N 498.999 5.422 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)s1 22690315 PXWWWFPLCYTGNM-UHFFFAOYSA-O 451.565 5.415 30 20 JKED COc1cccc(NCc2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)n2C2CCCCC2)c1 22719498 QQVOLBPKPUBNMY-IBGZPJMESA-N 496.681 5.227 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730192 YCMVSQYDGWBDJA-UHFFFAOYSA-O 465.642 6.541 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccco1 23202194 IHENLPUWAGWGPF-CQSZACIVSA-N 453.593 5.045 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1OC 23224128 YOVVGECZVQPWSE-IWIPYMOSSA-N 488.613 5.118 30 20 JKED COc1ccc(CCn2c(S[C@@H](C)C#N)nc3scc(-c4cccs4)c3c2=O)cc1OC 23600361 ZDPMPDYINMNKEQ-AWEZNQCLSA-N 483.640 5.451 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1C#N 27062878 PVYYEROZCFWUGZ-UHFFFAOYSA-N 499.017 5.259 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2ccccc2)c1 27691864 IPMIFRFYYIAOGH-SFHVURJKSA-N 454.979 5.212 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O 72055952 NXYNEEHCDPDHMW-UHFFFAOYSA-N 488.353 5.159 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 110481496 FQWKALHRCOEHCA-HSZRJFAPSA-N 472.545 5.129 30 20 JKED O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)[C@H]1CC[C@H](C(F)(F)F)NC1=O 195694869 HJGGJGPTGTWTSU-BDJLRTHQSA-N 464.337 5.032 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)nnc1-c1ccccc1F 216507047 OSHFDZAKKIZIHY-UHFFFAOYSA-N 489.479 5.223 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cn3c(COc4ccccc4)nc4ccccc43)s2)cc1 487391330 SHHGKYPIZYPUQC-UHFFFAOYSA-N 479.565 5.173 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C 498014822 GHLBLEMRQNFHOQ-UHFFFAOYSA-N 481.522 5.062 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1C 498509789 ZABKUBMSWBOBBP-UHFFFAOYSA-N 484.604 5.741 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nnc1-c1cccnc1 503737465 IKDCQGOHCKEZIF-UHFFFAOYSA-N 476.631 5.576 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2nc(C)c(SCC#N)s2)nnc1-c1ccccc1 504762263 MCRNATQPNJIUEK-CYBMUJFWSA-N 458.638 5.028 30 20 JKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 505326118 RVYDNKZCKKDQJU-GOSISDBHSA-N 472.545 5.491 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)cc1 507921784 QZBVWETVLYERSS-UHFFFAOYSA-N 491.547 5.470 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 510008137 ZFNZDPYGXWQWGQ-LADGPHEKSA-N 473.939 5.779 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)nc2ccccc21 510087360 RLHYMEXHSPLJPZ-QFIPXVFZSA-N 456.575 5.344 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3Cc3ccccc3Cl)c2)c1 510635080 WJOBGYGWLXALFD-HSZRJFAPSA-N 458.949 5.703 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC(F)F 513863865 NGYJJWAGLDSAQJ-UHFFFAOYSA-N 453.445 5.325 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 513867926 NOLBODKDBXJDTP-UHFFFAOYSA-N 468.488 5.777 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F 515540826 GHVHPVALWDNLNP-SFHVURJKSA-N 454.440 5.169 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518237935 MFPZMNLZZRQVJJ-HSZRJFAPSA-N 479.989 5.494 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] 518642099 SJAKCODFEGEFEM-KRWDZBQOSA-N 452.561 5.742 30 20 JKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1ccc(C(F)(F)F)cn1 520076301 CHOOJGIWYYLZIS-HNNXBMFYSA-N 458.486 6.690 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 520183745 MSGYJZYBMDPWPE-CYBMUJFWSA-N 466.397 6.347 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 520848016 CNHZMZXCSIYNFX-FQEVSTJZSA-N 495.954 5.961 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cc1Cl 521432640 UCRJMKDVBQNIEX-AZGAKELHSA-N 492.982 5.330 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524424022 HQXFYANLRIFRJT-KRWDZBQOSA-N 487.943 5.695 30 20 JKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524427418 REEXSJZCQBWOTN-UHFFFAOYSA-N 489.984 5.602 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(Br)cc1 553356762 BARVYWHLCWQPTB-JXFKEZNVSA-N 458.425 5.476 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c12 603623637 KFPMEFAMHHSBLF-UHFFFAOYSA-N 460.497 5.255 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc(NC(=O)c2ccccc2)c1 603891661 DZOWSMTUFRFYEC-IBGZPJMESA-N 465.509 5.474 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccccc3OCC(F)(F)F)c2)cc1 604084956 OHUIMOPXLBBLPG-UHFFFAOYSA-N 469.463 5.594 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cc(F)c(Cl)cc1Cl 604133468 YSCDSNBSIHGFIR-GFCCVEGCSA-N 473.291 5.007 30 20 JKED CCOC(=O)c1sc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(C#N)c1C 604382367 SFAJJAAISNODMY-UHFFFAOYSA-N 487.537 5.285 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 604506853 VSASQPZVMALEMH-XMMPIXPASA-N 478.390 5.268 30 20 JKED COCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H](C)c1cccc(C(F)(F)F)c1 609056362 IPIHXIIGMLYXFK-QGZVFWFLSA-N 472.463 5.599 30 20 JKED CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609088768 JQFXODPDCNRGQG-UHFFFAOYSA-N 461.949 5.086 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)cc2F)c1 609124419 ADKRCFSEXWKXDC-JOCHJYFZSA-N 496.542 5.102 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(F)cc1C(F)(F)F 609400899 CXFWPKMAIKTCGN-UHFFFAOYSA-N 493.404 5.124 30 20 JKED CCCOc1c(Br)cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 609427657 XYNXOADCZLMECW-AWEZNQCLSA-N 463.397 5.893 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)o1 609428177 MVNUQDGSPDKDFN-UHFFFAOYSA-N 450.857 5.020 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 609438985 QZSZQZSIMFGLGN-CQSZACIVSA-N 483.947 5.502 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1nc2cc(Cl)ccc2s1 613406970 BWJZKGIKHBJAMS-KRWDZBQOSA-N 461.909 5.555 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)nnc1-c1ccc(Cl)cc1 639428739 ZQXBAKMABYNYLB-HXUWFJFHSA-N 473.067 5.548 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1nc2ccccc2n1C(F)F 642282658 QOFMNEIFIOIPKN-AWEZNQCLSA-N 451.454 5.421 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(COC(C)(C)C)c2)cc1 726105315 ACPBQFWJONZXKW-QHCPKHFHSA-N 479.646 5.111 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/CCc3ccccn3)N(Cc3sccc3C)C2=O)c1 726111201 SIFHOTAOOSAFIU-CWHQOTMQSA-N 492.670 5.140 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)Cc2cccs2)cn1 726116762 KFYNAFBNXGMGNB-AVRDEDQJSA-N 495.674 5.173 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CC[C@@H](C)OC)C1=O 726397041 GLCHENPJGRQCAL-IIBYNOLFSA-N 490.025 5.042 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(C2CC2)C1=O 726420274 HZFPZKFELQNDLV-GSKFSTGDSA-N 478.039 5.271 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@@H](C)c2ccc(Cl)cc2Cl)[n+]2ccccc2)C=C1 726569777 JCXXDJTZKBLATM-HNNXBMFYSA-O 487.432 5.613 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)c1 726572911 KAHDXAYLVVNOGA-UHFFFAOYSA-O 487.648 6.358 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(OC)c(Cl)c1 726890437 KZUMMMWWQNOCAO-FQEVSTJZSA-N 475.998 5.118 30 20 JKED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 727134470 YAPOJYHQZBJQPI-RPBOFIJWSA-N 455.558 5.417 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c12 727709351 MBVCOHBYEVIOLA-UHFFFAOYSA-N 451.486 5.355 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1cccc(OC2CCCC2)c1 727953853 PVZKFZCMTPRMBY-CFGKVWFZSA-N 452.938 5.339 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 728117669 MTRSRQROYSEZDH-JOCHJYFZSA-N 457.496 5.889 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2ccc(OCC(F)(F)F)c(OC)c2)c1 728182287 HPHXEURYMZCIEV-UHFFFAOYSA-N 457.448 5.377 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 728556728 XBVPQMKMVFRRFP-UHFFFAOYSA-O 496.678 5.167 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)c1 728779094 GUTSPIRIXRUCIQ-DEOSSOPVSA-N 491.661 5.530 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)cc1 728779748 KKLSKTRGMQMSBH-XMMPIXPASA-N 486.597 5.503 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ncccc2C)cc1 729634828 UZIDMEVGBATCDZ-XMMPIXPASA-N 488.613 5.258 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ncccc2C)cc1 729634865 VRSVJKCUDABGEV-DEOSSOPVSA-N 488.613 5.122 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c1 730441817 BXEBAKCSBNNSQF-QFIPXVFZSA-N 498.555 5.081 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730460251 VVHTUXBKZOIMPJ-LJQANCHMSA-N 475.536 5.835 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)cc1OC 730461727 HBTCRLQOLJPMFT-QHCPKHFHSA-N 497.617 5.004 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1C1CC1 730521580 ZPHFKUDMIHSOJH-FQEVSTJZSA-N 457.983 5.034 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(Cc2cocn2)C1=O 730720879 OIYLDCJLNRCKAT-HXUWFJFHSA-N 498.992 5.114 30 20 JKED O=C(COC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1cccc(F)c1 730861960 GNFFBLGGCTZQNR-UHFFFAOYSA-N 495.738 5.137 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730944483 XCKWVKNCXPWNML-AOMKIAJQSA-N 480.540 5.390 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1F 730945324 QEYVSVFQHFJAIO-OYHNWAKOSA-N 498.530 5.529 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CSc1ccc2c3c(cccc13)CC2 731066565 XRAIXKYEMCDAJD-KRWDZBQOSA-N 476.623 5.607 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnc(Cc2ccc(F)cc2)s1 731079066 AWKPYIXEZNDDCD-OAHLLOKOSA-N 469.563 5.063 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)nc1C 731225335 ZMALEDMRSXFKBI-LJQANCHMSA-N 479.656 5.657 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H]2c2nc3ccccc3s2)c1=S 732456250 UGGUXAKZUJOCQU-HXUWFJFHSA-N 468.696 5.033 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(C)ccc1F 743524666 LUXOKXAZNIANHI-HXUWFJFHSA-N 477.989 5.093 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(C[C@H]2CCCO2)C1=O 743524721 MCKGJQTYAXZIDS-WZONZLPQSA-N 499.608 5.062 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccc2cccnc12 744998062 YWHCAONLMCACPT-DEOSSOPVSA-N 496.592 5.404 30 20 JKED COc1cc(C=NNc2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 747060488 SXTRCLOXIMOWDB-UHFFFAOYSA-N 493.485 6.331 30 20 JKED COc1ccc(/C=C\C(=O)c2ccc(Br)cc2Br)cc1OCCCC#N 747361161 CZEUISYSWCPBRA-YWEYNIOJSA-N 479.168 5.799 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cscn3)C2=O)cc1 747601455 VGCJURLSIKMWEU-JOCHJYFZSA-N 494.642 5.319 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cscn3)C2=O)cc1 747602482 MRDFHFBOWJBARY-HXUWFJFHSA-N 464.616 5.229 30 20 JKED N#C[C@@H](Cc1ccccc1)OC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 750060433 GOMGNDVSJCRAQI-LJQANCHMSA-N 475.353 5.086 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C3\CSc4c(F)cccc4C3=O)cc2OC)o1 767912601 OXYSMRIFSOBOBV-XNTDXEJSSA-N 454.475 5.165 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(CC)c3)N(CC(F)(F)F)C2=O)cc1 799222609 CYKKYERHBLLZLX-LJQANCHMSA-N 479.524 5.170 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)cc1 838033367 NAONSNRQLXHCGQ-HXUWFJFHSA-N 469.563 5.056 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CC(F)(F)F)C1=O)Nc1cccc2ccccc12 838576787 NKEVEZBNLLAMQU-LJQANCHMSA-N 493.457 5.641 30 20 JKED COc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(F)cc3)=C2C)cc1 839950019 WMDGNSAOYGIWSI-DEOSSOPVSA-N 472.545 5.054 30 20 JKED CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NCc3cc(C#N)ccc3Br)cc2)C1 864033975 PJQUNQOSFGLYGS-OAQYLSRUSA-N 472.383 5.241 30 20 JKED Cc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5c4ccc(Cl)c5Cl)c23)cc1 914693357 CFHWMMAWNWDMKK-UHFFFAOYSA-N 454.342 5.742 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103124 OYBOSAWFEUJQPZ-KNQAVFIVSA-N 482.392 6.257 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 915850966 ICBMQFLLWRGTLA-UHFFFAOYSA-N 489.547 5.577 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1cc(C)c(OCc2ccccn2)c(C)c1 915959962 MEHQBPZVIOVGHR-UHFFFAOYSA-N 489.601 5.018 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1Cc1ccco1 916215168 DZXTVMKCQYVXMS-HXUWFJFHSA-N 487.503 5.767 30 20 JKED N#Cc1cccc(OCC(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)c1 916604662 KWRUPUNIIPFIQP-HXUWFJFHSA-N 498.402 5.035 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2C)cc1 916848024 YOTFFGJPCJMVLS-HXUWFJFHSA-N 472.570 5.182 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916939281 QKAURNXLZFQHJB-INIZCTEOSA-N 493.753 5.479 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 916950869 WIBUIUCUAQCFMT-GAJHUEQPSA-N 471.532 5.861 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 916955076 METABIVRNBYAPF-SBUREZEXSA-N 499.533 5.419 30 20 JKED CCCn1c(=O)n(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21 917042341 DXZSQOXXAKILKB-OAHLLOKOSA-N 472.492 5.108 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc2cc(C(F)(F)F)ccc2s1 917045237 YMTITCHUJXIGNF-OAHLLOKOSA-N 474.439 5.703 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@@H](C)c2ccccc2)cc1 917609874 LFLBRTYQTOEMBO-FQEVSTJZSA-O 460.623 5.251 30 20 JKED COc1ccccc1[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)NC(=O)OC(C)(C)C 917731823 JMQOZQUJKOAMGO-XMMPIXPASA-N 471.557 5.230 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=S)N[C@@H]1c1cccc(C#N)c1 918027791 IXIAPTHDTOFWKQ-RUZDIDTESA-N 487.028 6.123 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 918248358 ZQCOWICRRBBBIO-OPAMFIHVSA-N 451.448 5.177 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 919825734 UAJGDPFSMWQSMZ-UHFFFAOYSA-N 458.495 5.170 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 920139401 SYGMAEXENHGPKJ-RPWUZVMVSA-N 481.577 5.556 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 920840304 YADLVEBBOPQMAS-ZDUSSCGKSA-N 472.860 5.091 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC2CCC2)c1 920927773 YGDIAIHNXVYIRM-HXUWFJFHSA-N 491.535 5.474 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)cc1C 921253929 RMJKOSZGHSUIHS-YLJYHZDGSA-N 493.551 5.231 30 20 JKED CCOC(=O)c1sc2nc(/C(Cl)=C/c3ccc(OC)c(OCCCC#N)c3)nc(O)c2c1C 1251375326 GQXMVNUXSYEEBB-PTNGSMBKSA-N 487.965 5.310 30 20 JKED CCSc1ncccc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785880088 WZMWVHCPNNQOKW-UHFFFAOYSA-N 470.598 5.056 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4sccc4OC)CCC3)cc2)c(O)n1 1787173122 NWNLNCQVDAQJQP-UHFFFAOYSA-N 477.586 5.037 30 20 JKED CCCc1onc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(C#N)c3)CCC2)cc1 1788779029 SKYWACRIVCGHCL-UHFFFAOYSA-N 456.546 5.177 30 20 JKED COc1ccc2nc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)ccc2c1 1789028071 BKUNCZDKUQCBBH-UHFFFAOYSA-N 476.536 5.177 30 20 JKED C[C@H](Oc1cccnc1)C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508914 BXARKKCNJQXDRU-NRFANRHFSA-N 477.681 5.034 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)c(F)cc5[nH]4)CCC3)cc2)cc1 1790290419 XIDOSOXNGFTZKN-UHFFFAOYSA-N 470.479 5.379 30 20 JKED CCOc1ccc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1790691951 BRYBMLXJNGAALJ-UHFFFAOYSA-N 451.954 5.180 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5s4)CCC3)cc2)c1 1790764098 UGZJVHMNWZPSMR-UHFFFAOYSA-N 470.529 5.369 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4)CCC3)cc2)c1 1790764159 YQPSVYDLJZCQHN-UHFFFAOYSA-N 453.473 5.505 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)cc2)CCC1 1791033021 BIZOYNSBPZWLLF-XMMPIXPASA-N 495.664 5.398 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)CCC2)cc1 1791253801 HQKZWCOUFNPNEA-DHNNRRLOSA-N 481.637 5.121 30 20 JKED CC(C)[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](S)C(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1791516216 YGSZDMOVMHKDMD-UNMCSNQZSA-N 491.698 5.014 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3c(Cl)ccc(OC)c3F)cc2)CCC1 1791665229 WQPXJEVJPFKLGE-UHFFFAOYSA-N 477.001 5.084 30 20 JKED CC(=O)Nc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)ccc1C 1792127277 UYDCKSFOBRUZPL-FQEVSTJZSA-N 494.595 5.642 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1792144729 VNTMXGGFELDGBE-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CC3(F)F)CCC2)cc1)NC(=O)OC(C)(C)C 1792204563 INRZJDYJMZBAQJ-YADARESESA-N 491.579 5.025 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)c(F)cc3nc1Cl)C2 1793051581 RDJUHJZAHNXBRF-BCDXTJNWSA-N 473.951 5.187 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1798421266 MWBZIFHSZDDVPH-YXOJAJARSA-N 470.652 5.044 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cccc2cnccc12 1800504762 MMOAILHWPNHFMC-OUOZDZGXSA-N 485.587 5.200 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1804173752 APTUDYDYHLJMPT-GAJHUEQPSA-N 486.062 5.189 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1 1805091461 MRLMXMSAJHRWKF-UHFFFAOYSA-N 470.400 5.332 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1806414022 LUMNSVXPINEZRW-LSMIHOHGSA-N 467.613 5.252 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cc(C)cnc3Cl)C2)CC1)c1ccccc1 1808806880 BFVBTFMWTZLSGP-QHCPKHFHSA-N 478.036 5.085 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1808864636 XQHUYUFRMGAFDH-ATILKMQGSA-N 498.627 5.178 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810107699 LJOKEAGGSCSAAX-ZEYPLWLESA-N 469.676 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1810175295 VCAZFUKGIUCHNY-AKFKNWHVSA-N 496.449 5.241 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)cc2c1 1811420737 WMJHXUXWVSHWTH-RXFWQSSRSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811539307 QRORRLPFYSYGGV-ULNCZQIZSA-N 467.613 5.589 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1811794858 DSDDKBWQGCFWOV-LVXARBLLSA-N 497.986 5.030 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1F 1814587846 KGWDIXVDHVQEBM-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)[nH]n1 1814828143 AARLLPBOWVDBBK-QHCPKHFHSA-N 492.620 5.281 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1815244370 XTCXWJJXXXMFTD-QUCCMNQESA-N 493.555 5.170 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](F)c3ccccc3)n[nH]2)cc(C(F)(F)F)c1 1815556527 FJZAZCAUCNTRCF-UNMCSNQZSA-N 499.468 5.317 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(F)cc3)CC2)n[nH]1 1815627619 YEWJXDPNTPHYMG-RBBKRZOGSA-N 450.558 5.041 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1815656496 UDXBWQNPKCRXFT-NRFANRHFSA-N 489.601 5.376 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c(O)n1 1816242020 VTKPETZRUKMAPS-OAQYLSRUSA-N 497.958 5.041 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccnc4ccccc34)n[nH]2)c(Cl)c1 1818444279 GTEKSWNFMKKPSQ-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[nH]n1 1819303958 USEYYXSSSRDMMX-RDGATRHJSA-N 487.604 5.488 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)[nH]n1 1819310151 SLBPZDOUNWPZSM-OGMXRKNYSA-N 489.664 5.300 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2ccccc2)n[nH]1 1820004649 DSFDVXSZLZTHNS-SQJMNOBHSA-N 469.589 5.546 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)[nH]n2)c1Cl 1820221167 PDFWSKJHIVKADY-OAQYLSRUSA-N 479.943 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c1 1820433503 OSKPOXQVGKWLBB-VFNWGFHPSA-N 479.943 5.449 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(C)c1 1820481810 PUIOPPWWIGPJSQ-CYFREDJKSA-N 455.562 5.273 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)[nH]n2)c1 1820485962 NUUNOMATRAGLEY-OAQYLSRUSA-N 472.936 5.036 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1820974368 YHZLUWNFUMNLJH-SCLBCKFNSA-N 499.921 5.189 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821087706 IFZFBRYBMLSDFA-AEFFLSMTSA-N 488.963 5.342 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)c1 1821273199 BYVVFGMDDHLXQG-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2Cl)N(C)C)n[nH]1 1821762796 ANNJFDYDXSRPHJ-XANCMCCPSA-N 484.044 5.127 30 20 JKED Cc1ccc([C@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1822059890 PDKPNDGFNLDADI-NBGIEHNGSA-N 469.589 5.018 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)ccc(F)c1F 1823200244 HJDAOJBOBMRRIO-IVZQSRNASA-N 477.515 5.243 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(F)CCCCC3)[nH]n2)c1 1823214355 CEKXGXCVWFJEJW-UTKZUKDTSA-N 451.546 5.015 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 1823299677 VAFRTSYTTRFSNV-IBGZPJMESA-N 464.463 5.067 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)CC2)cc1 1823664696 RFGWDWWBGDLRTJ-MHZLTWQESA-N 496.611 5.079 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823685029 KFOCQGQEJRRDRX-RUZDIDTESA-N 494.035 5.086 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1823711448 CUISOHDRNFTAKZ-UHSQPCAPSA-N 494.701 5.240 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn3ccc(Cl)cc3n2)CC1 1823751998 HBOCZMBHFKEBJS-JOCHJYFZSA-N 471.045 5.213 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(Br)cc2C)CC1 1824140871 OHHYBFYEZDASHP-QFIPXVFZSA-N 488.470 5.154 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824497904 IKDZOVMGPKVDAI-BDYUSTAISA-N 454.655 5.029 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3F)CC2)c1 1824729391 JWSNTRQZUHMYMN-HTAPYJJXSA-N 453.583 5.061 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)CC2)c1Cl 1824857232 KAZKEAOIBSKRIO-LADGPHEKSA-N 467.972 5.156 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccco3)CC2)cc(C(F)(F)F)c1 1825248624 BEJNIFBSNOOVJG-HSZRJFAPSA-N 487.522 5.036 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 1825947716 UATWPYIJGHKVBU-VWLOTQADSA-N 475.633 5.233 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1826321390 HWVPXIGTFJKTOK-QFIPXVFZSA-N 460.603 5.043 30 20 JKED CCn1nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c2ccccc21 1827342839 CHHMAHQHKWBRBF-RLWLMLJZSA-N 497.643 5.230 30 20 JKED Cc1ccc(SCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc([C@@H](C)C#N)c4)sc3C2)cc1 1827696473 CZPSDGGOQHQDMB-FXAWDEMLSA-N 490.654 5.097 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnn2-c2ccccc2)CC1 1827967696 BFVULLQJGHFVNB-DEOSSOPVSA-N 462.638 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828216491 BLDIXBHNPUNXSX-HSZRJFAPSA-N 466.622 5.673 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)[nH]c12 1828548768 BFWVYCNCSJNMFM-RUZDIDTESA-N 489.019 5.549 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1828825089 TTYVLYMYUBRIQO-RCZVLFRGSA-N 468.041 5.823 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1828827688 RKQXIJGKNQLLGR-PKTZIBPZSA-N 474.686 5.133 30 20 JKED Cc1cscc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828905427 QEWLBZGBINHGHG-HSZRJFAPSA-N 458.744 5.341 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2Cl)CC1 1828906231 BAMXAZPNHBCJHI-HSZRJFAPSA-N 474.121 5.019 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 1828906650 ZCKHJUBLCYVFRF-QFIPXVFZSA-N 483.754 5.514 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc(Cl)c2)CC1 1829068074 CLKKIIDFORSIHS-HSZRJFAPSA-N 461.046 5.331 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1829565489 YROZLAFSEZHOMG-HHHXNRCGSA-N 481.640 5.806 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1Cl 1829685612 KIQAZXLFTAJOQJ-JOCHJYFZSA-N 488.390 5.551 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829937914 UDFCJQMJSSWSOM-REWPJTCUSA-N 462.556 5.707 30 20 JKED COc1cccc(-c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)c[nH]2)c1 1829953460 AVCVEDZCOHRADI-MUUNZHRXSA-N 496.611 5.109 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)CC2)c1Cl 1830189841 OOCHALAQWTTXGM-RUZDIDTESA-N 489.019 5.169 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1830417278 ZGHMRLYWHOAPNO-UTKZUKDTSA-N 490.069 5.589 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830418261 RYGMORDFFTUGHB-KCWPFWIISA-N 492.664 5.128 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1830631058 VVVDTYZVJXRFTC-LJAQVGFWSA-N 479.624 5.382 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c1 1830717298 JTGYCVJMURDDSZ-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 1831376179 LIBCQJAVWGWXJL-LWZKNFMGSA-N 487.482 5.385 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831752025 UTIYAVJTKXZGPS-BDYUSTAISA-N 472.645 5.168 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2OC(F)F)CC1 1832674880 UCOBJRWZLPEYCP-IFMALSPDSA-N 460.565 5.290 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1832925127 VALBMABHRPXILL-RPWUZVMVSA-N 489.701 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1835681208 XVPBNPDWVALQNH-JOCHJYFZSA-N 497.083 5.083 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)CC1 1836744966 PONGAZWFIVJXCH-SXOMAYOGSA-N 466.666 5.193 30 20 JKED CC(C)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1838673515 ZHRXTUVSPHPMSV-UHFFFAOYSA-N 486.656 5.135 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccccc4C4CC4)CC3)CC2)c1 1838819844 DWGBLMNWGAFMNB-NRFANRHFSA-N 485.628 5.117 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1844202785 AMINRBGFZXDJPD-QHCPKHFHSA-N 453.586 5.192 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC34CN(C(=O)c3cc(C)cc(C#N)c3)C4)ccc21 1844743014 ZBKLYZFHXMEVGG-UHFFFAOYSA-N 476.580 5.125 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179236 DDLRYDRAOXTWNY-UHFFFAOYSA-O 480.387 6.563 30 20 JKED CC(=O)N(c1nc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cs1)c1ccc(F)cc1F 13038391 FEXYTHLSFMMNMB-GRSHGNNSSA-N 484.553 5.614 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc12 14621499 HDIHDKWSMFWGFH-UHFFFAOYSA-N 488.623 5.663 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 14671625 IFZXLQOMIZADSA-UHFFFAOYSA-N 455.725 5.149 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)n(Cc2ccccc2)c1C 16628515 JIAISMFGYRZGIM-UHFFFAOYSA-N 491.667 5.732 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nc2scc(-c3ccccc3)c2c1=O 16715372 XBMGIVMMLJFMRG-SFHVURJKSA-N 475.639 6.047 30 20 JKED C=CCn1c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nnc1-c1ccncc1 17655071 JBLJBESMKMJCNU-UHFFFAOYSA-N 450.571 5.671 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccc(F)cc1 18773133 FYOWTCZFTQZOLM-MRXNPFEDSA-N 452.555 5.372 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccs2)nc2cc(-c3ccccc3)sc2c1=O 21494607 VDGWOPPZNGHELE-HNNXBMFYSA-N 467.641 5.342 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=O)COc2ccccc2C#N)c1C(=O)N1CCCCC1 21900956 FVWGBVNPASHWFG-UHFFFAOYSA-N 459.571 5.239 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 22123240 KTHJOYSPYBXZHO-LMKMVOKYSA-N 498.649 5.294 30 20 JKED COc1ccccc1/C=C(/C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 23278613 MUUROJRACTXKMQ-LBSLPOPVSA-N 472.566 5.228 30 20 JKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1 26242651 GMYHOZYFEDXHQW-UHFFFAOYSA-N 472.328 5.077 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1nc(-c2ccccc2)cs1 27444550 NLYIPCBDXUHEFC-HXUWFJFHSA-N 497.605 5.678 30 20 JKED C[C@@H]1CN(Cc2csc(/N=C(\O)c3sc4cccc(Cl)c4c3Cl)n2)C[C@@H](C)O1 30571006 NKNPEIIIQABTGA-GHMZBOCLSA-N 456.420 5.910 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 69623147 COSXNJZUQOTYHW-UHFFFAOYSA-N 492.608 5.503 30 20 JKED C[C@H]1CCCN(c2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2[N+](=O)[O-])C1 115072297 UNXVKXBJHUCEDR-HNNXBMFYSA-N 494.602 5.099 30 20 JKED C[C@H](C#N)SC1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)F)cc1 206803986 NBTRKMLRWDUBGH-SXGUVYOMSA-N 468.312 5.984 30 20 JKED C=CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1ccc(Br)cc1 255940578 BRINZNVSMFTNOQ-UHFFFAOYSA-N 452.381 5.438 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(Br)s1 409518682 GHIOUBWXPKTLSJ-UHFFFAOYSA-N 462.182 5.310 30 20 JKED O=C(Nc1cccc(C(F)F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 409986797 GJGJPEVSNHRBMR-UHFFFAOYSA-N 466.744 6.067 30 20 JKED C=CCN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1nc(-c2ccccc2)cs1 483345978 GYLBINYFHRAXTM-UHFFFAOYSA-N 490.635 5.529 30 20 JKED N#Cc1ccc(CCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cc1 484620469 GNOSVTNNEFFNBQ-HSZRJFAPSA-N 450.007 5.122 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 484625762 YXRUULPLHHHSPF-SFHVURJKSA-N 486.786 5.899 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 499433800 DIPGEWFUTRRBJA-UHFFFAOYSA-N 476.527 5.723 30 20 JKED CCOC(=O)c1sc2ccsc2c1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 500093588 ZYNWYFFBXQBQMV-UHFFFAOYSA-N 466.540 5.113 30 20 JKED CCOc1ccc([C@@H](CNC(=O)NCc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1OC 500216980 GVRCTPKTGLGCCD-HSZRJFAPSA-N 468.557 5.078 30 20 JKED N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nnc(-c3ccc(Cl)cc3)o1)CCCC2 505780673 CYMNPLGAHDLARV-UHFFFAOYSA-N 489.988 5.662 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1[N+](=O)[O-])c1ccccn1 507050254 DKTPOQWVXZFWNY-LJQANCHMSA-N 493.523 5.866 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 508273647 LGMRMPBKNURJDK-WMZHIEFXSA-N 456.546 5.316 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 508331196 IVSIQJZEAPSPBR-UHFFFAOYSA-N 480.568 6.083 30 20 JKED CC(C)CNC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl 509265785 WEIWWQJAEDWUCA-UHFFFAOYSA-N 461.949 5.429 30 20 JKED N#CCCCCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(Cl)cc1 510051608 YBGJVFRLFBTMKT-UHFFFAOYSA-N 491.013 5.122 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 516066342 IKSUJOHXXZGBKU-AWEZNQCLSA-N 472.307 5.473 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 516269896 CLJFXKMBXBHHIT-QGZVFWFLSA-N 468.460 5.513 30 20 JKED N#CCCSc1ccccc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 518647981 WBNNEDAZARMBKD-UHFFFAOYSA-N 455.539 5.872 30 20 JKED CCN(CC)Cc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 518752432 ZJYWEBWNCPILJF-UHFFFAOYSA-N 472.614 5.383 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCOCC1 518854819 OCABDKINPOPTON-UHFFFAOYSA-N 486.637 5.646 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(Oc4cccnc4)c(F)c3)cc2)cc1 519988615 CDYFQONOEJEZQT-UHFFFAOYSA-N 454.461 5.999 30 20 JKED N#C[C@@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc(-c2c(F)cccc2F)cs1 520432078 LMRVPBLGZPXFKP-HNNXBMFYSA-N 457.465 5.288 30 20 JKED N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 520761097 UJRHUSVDFREOMV-MUUNZHRXSA-N 496.588 5.234 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1noc(-c2ccc(Cl)cc2)n1 520817829 MRMFNFWPRVIZHU-AWEZNQCLSA-N 458.996 5.514 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)COc1ccc(C#N)cc1 521289117 CMRMFLWZYWPSON-UHFFFAOYSA-N 453.420 5.155 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc12 521726033 LBILXNXLRCSYCU-CQSZACIVSA-N 450.564 6.039 30 20 JKED C=CCn1c(SCC(=O)N(CCN(C)C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 521803311 YVFHPHNSOSQAOD-UHFFFAOYSA-N 490.460 5.125 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524126595 ALYKPZWGOBNKED-AREMUKBSSA-N 487.625 5.244 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2)c1 524127657 DXPOMIHLFLCUPT-UHFFFAOYSA-N 483.549 5.190 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 524392111 WHNVQDHPQXVUBC-UHFFFAOYSA-N 479.352 5.627 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 524442336 BZNQAPLMXHCWJN-UHFFFAOYSA-N 450.358 5.049 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cc1 575015512 CGZKAAGQEDQYRR-UHFFFAOYSA-N 483.471 5.633 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Br)ccc2Cl)nnc1-c1ccc(Cl)cc1 589364194 FIYCCPFELSTPOP-UHFFFAOYSA-N 498.233 5.931 30 20 JKED Cc1ccccc1-n1c(C)nnc1SCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 589934752 WMHQZAXIQFOBCI-CQSZACIVSA-N 451.621 5.063 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 600814808 RSYVJWFTEAYUDX-UHFFFAOYSA-N 451.505 5.602 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)c2)c1 603723464 KFKKWZLABAZYGF-MHZLTWQESA-N 479.511 5.121 30 20 JKED C[C@@H](c1ccccc1)n1c(SC[C@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccccc1 603840738 OIAVLXMBPRTVNL-GBXCKJPGSA-N 470.598 5.152 30 20 JKED Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)nnn1-c1cccc(Br)c1 603961482 WVSWDOHWQWXXEK-UHFFFAOYSA-N 488.345 5.041 30 20 JKED COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1NC(=O)c1ccc(Cl)cc1F 603997668 CBMGCNFMGIXMGQ-CQSZACIVSA-N 467.884 5.018 30 20 JKED C[C@@H](NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cc1 604006929 ANULTAIBWYHABZ-QGZVFWFLSA-N 464.363 5.189 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)CC1 604173329 VYBVGDKQYFWHGM-UHFFFAOYSA-N 473.385 5.421 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2Br)no1 604470009 XQBRQTIZJMYVQN-UHFFFAOYSA-N 470.323 5.236 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)c3oc4ccccc4c3CSc3ncccn3)c2C#N)C1 604528084 PQOGPSYOGLOTAB-AWEZNQCLSA-N 460.584 5.825 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 608965425 ZUQPRLOTZICVJM-JOCHJYFZSA-N 462.578 5.454 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 609032966 IDXDTVHOOIWJSS-UHFFFAOYSA-N 480.503 5.269 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 609066315 GEFQJRRRCVQMDL-UHFFFAOYSA-N 454.273 5.215 30 20 JKED N#CCn1c(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc2ccccc21 609343628 YDLQAKCODHVOBP-UHFFFAOYSA-N 476.458 5.366 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 609378389 FTSVSWDPMDBAIY-UHFFFAOYSA-N 495.611 6.295 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 609403569 HUCODDAXMABTHQ-RTBURBONSA-N 475.536 5.492 30 20 JKED N#C[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1cccc(Cl)c1Cl 609414443 PKGMWERBWMLVER-RTWAWAEBSA-N 483.355 5.266 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1NC(=O)c1ccccc1F 613407324 QQUSOYDHOQEGHS-QGZVFWFLSA-N 463.921 6.140 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCc3sccc3C2)C(C)C)nnc1-c1cccc(C)c1 639426636 GUFNKYZLMAMVHR-NRFANRHFSA-N 452.649 5.203 30 20 JKED CN(C)c1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 642511609 TUHYLRQLBLSULA-URLYPYJESA-N 465.360 5.802 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nnc1-c1ccc(OC)cc1 677844436 YGTUCXQMQCEMQM-UHFFFAOYSA-N 460.559 5.058 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cccc(F)c2)cn1 726114507 XCKKUGUNGQEIFS-NRFANRHFSA-N 499.999 5.164 30 20 JKED CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)C1 726322743 XBBDZVMRRVVMFW-QFQDYUQXSA-N 453.652 5.072 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2nc(C)c3ccccc3n2)cc1 726397642 IJBWAPDUOOYKQQ-XMMPIXPASA-N 495.608 5.407 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1 726414961 GRLLAQZQOUCNRZ-HXUWFJFHSA-N 491.535 5.615 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1cccc(COC(C)(C)C)c1)c1cccs1 726415207 FXGVCPGKFYQGQU-YYPFHMQMSA-N 499.702 5.293 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S/C1=N\[C@H](C)c1cccs1 726419517 FRLQSHCNSRGKRQ-NTTOUURBSA-N 499.580 5.193 30 20 JKED N#Cc1ccc(NC(=S)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1Cl 726489545 PBPINXZITJCLHK-UHFFFAOYSA-N 477.815 5.022 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)[nH]c2C)cc1 726570851 MBVQAJSDXMGOJC-UHFFFAOYSA-O 480.057 6.671 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1-c1cccc(Cl)c1 726731830 OCKSMKWCXNDYEC-HNNXBMFYSA-N 497.916 5.018 30 20 JKED CN(CCCN1C(=O)/C(=C\c2cccc(OCCCC#N)c2)SC1=S)c1ccccc1 726801440 IQHCRRAZRPSWPU-RELWKKBWSA-N 451.617 5.097 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccc(OC)nc1 726889428 RFMKZLFACNZANQ-HNNXBMFYSA-N 487.796 5.031 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2csc(-c3cccs3)n2)c1 728425052 ABIXLKUIZDRKFO-UHFFFAOYSA-N 455.634 5.645 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728777002 HRUSEJWONBKGHV-NRFANRHFSA-N 485.009 5.311 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C(\C(=O)c3cccc(OC)c3)c3ncc[nH]3)cc2)cc1 729240703 XLLBBKSTWFSZGU-PCLIKHOPSA-N 468.509 5.207 30 20 JKED COc1cccc([C@H](C#N)NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1OC 729429408 LJJNHYAVYDLLQH-QHCPKHFHSA-N 486.959 5.133 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)[n+]2cccc(CO)c2)c1 730440694 VTLWLJIOJAKHDT-UHFFFAOYSA-O 493.608 5.350 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 730442886 ZTBMBVVTSKWTBB-JOCHJYFZSA-N 497.020 5.456 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(C(=O)O)s2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 730588962 DNINDYLDPKHHSI-KXFIGUGUSA-N 489.908 5.161 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCOCC3CC3)C2=O)c1 730944140 REMHZDZGMPJMTM-HSZRJFAPSA-N 483.609 5.138 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2cccc(Cl)c2)n1 731068768 FCGCDXCVANCSFR-AWEZNQCLSA-N 471.991 5.653 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)nc1C 731225318 YPOYSNHOQNIBIQ-UHFFFAOYSA-N 481.578 5.252 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 731348958 DANIMCNVIGHFTH-OAHLLOKOSA-N 490.585 5.460 30 20 JKED N#CCOc1cccc(NC(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 743300184 ZDTWEVVUDIIDIE-UHFFFAOYSA-N 471.948 5.459 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1C 744037405 USSYDWWVUUQZEY-UHFFFAOYSA-N 451.574 5.582 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CCCOC3CCCC3)C2=O)cc1 747043421 KAPKIRYXLVBDHJ-DEOSSOPVSA-N 490.629 5.176 30 20 JKED N#Cc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(O)cc2)CC3)cc1 748113414 GEUHLKWCNINXNO-QNGOZBTKSA-N 460.489 5.339 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 750395002 KXYPOQIOKDUEDX-MRXNPFEDSA-N 482.352 5.264 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CNC3(c4ccc(Cl)cc4)CCCC3)nc12 750871395 HNAARWZAYPMCHY-UHFFFAOYSA-N 466.010 5.036 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1-c1ccccc1 750911403 QBBYFCHXUTZVDY-QHCPKHFHSA-N 495.551 5.239 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 751336983 MRWGVLLWRNHVBO-GFCCVEGCSA-N 474.797 5.069 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 799218516 HGTHCAVJTDABDC-HNNXBMFYSA-N 477.842 5.141 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799220866 IMUULMGPJZIRPU-OAHLLOKOSA-N 494.297 5.655 30 20 JKED CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1CC(=NNc1ccccc1C(=O)O)c1ccccc1 812445425 QHDVAJUHBWIBID-FMGHJNRGSA-N 471.601 5.568 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1[C@H](C)c1cccnc1 837299129 CDBPLKYAUMODES-VGOFRKELSA-N 489.557 5.020 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccccc2F)C1=O 837299241 FHSCMYDOKMJPDD-HSZRJFAPSA-N 477.561 5.303 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1cccc(OCc2ccccc2)c1 839414508 MWTVQLKVRGNLGB-UHFFFAOYSA-N 460.559 5.006 30 20 JKED COc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(Cl)c3)=C2C)cc1 839944480 BVPWYTROUMTVFP-XMMPIXPASA-N 489.000 5.569 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 900276526 NOCSWYBASOEXCR-UHFFFAOYSA-N 463.902 5.391 30 20 JKED COc1ccc([C@H]2[C@H](C(=O)N(C)Cc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1 914450030 UPYUPJLDVLOHCQ-IAPPQJPRSA-N 467.569 5.018 30 20 JKED N#C[C@@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102483 UWDFILPDTVZFCO-INIZCTEOSA-N 491.421 6.367 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2cccs2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103597 YYEPXEJSXKLQOM-CYBMUJFWSA-N 475.382 6.037 30 20 JKED C[C@H](OC(=O)c1cccnc1Oc1cccc(Br)c1)C(=O)N(CCC#N)c1ccccc1 915529515 KPORGNZJZXSFHX-KRWDZBQOSA-N 494.345 5.129 30 20 JKED COc1cc(/C=C\C(=O)c2cccnc2)ccc1OCCOc1cccc(Br)c1 916137051 JFGFGSQJJWQPPR-CLFYSBASSA-N 454.320 5.207 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)c1 916207481 ZOQBIMFRSAZEQM-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(C2CC2)C1=O 916209063 DIEZNLOJISBPOF-HXUWFJFHSA-N 457.983 5.252 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CC2)cc1 916215629 WCYGLMQOVRBCBT-FQEVSTJZSA-N 457.983 5.170 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=C/C=C/c1ccccc1[N+](=O)[O-] 916272608 DSVFXDDMLGWJAO-UDDNXTMZSA-N 450.907 5.542 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)c1nc(O)c2c3c(sc2n1)CCCC3 916846780 FCSFRIRHTJIODM-LECLMCCNSA-N 475.570 6.033 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2s1 916847939 WROQTPUBNXNZJN-ZHRRBRCNSA-N 463.356 6.055 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 916926120 ZVTMFROGNAVMRL-FQEVSTJZSA-N 476.964 5.154 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916928978 ZOYJGEGNHXHUID-MRXNPFEDSA-N 494.256 6.161 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916945015 PXXQYYWXFTVEED-LJQANCHMSA-N 483.311 5.475 30 20 JKED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916967704 WTIVTSLBHRBHMR-FQEVSTJZSA-N 482.414 5.230 30 20 JKED CCCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1OC 917560506 OTHCNVDQZZENLM-RAXLEYEMSA-N 464.587 6.220 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc3ccccc3c2)cc1 917610663 PWFBRBDUYFGACN-UHFFFAOYSA-O 468.602 5.783 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(Cl)c(Cl)c1)[n+]1ccc2c(c1)CCCC2 917613748 SGHYYRVZZRMZPC-UHFFFAOYSA-O 481.428 6.355 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3C)C2=O)c1 917703510 NOURKRLSFFUTEX-VWLOTQADSA-N 482.609 5.644 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CCc3ccc(C)o3)C2=O)c1 917704373 YYIYSDPDWNZNRB-XMMPIXPASA-N 486.597 5.280 30 20 JKED O=C(COC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)NCC#Cc1cccc(C(F)(F)F)c1 919295712 GNGDYZRFYHQHPV-UHFFFAOYSA-N 498.206 5.356 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CSc3ccc(Br)cc3C2=O)cs1 920069391 PJAMDKJERMUWQU-JYRVWZFOSA-N 489.391 6.101 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)COc1ccc2cc(Br)ccc2c1 920105370 DGOONPBSKGPWQX-FQEVSTJZSA-N 461.315 5.363 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@H](C)c2ccc(F)cc2)C1=O 920168794 BRXNVOIELSGXLD-SCLBCKFNSA-N 481.565 5.012 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 920353926 WTTRELHHHUULLT-QHCPKHFHSA-N 476.602 5.377 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc(-c2c(F)cccc2F)cs1 920805574 MXWFAQMDSVUYFL-LLVKDONJSA-N 477.970 6.346 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1-c1ccc(C)cc1)C2 1779510588 HFTJFZPOYNMFLK-FYBSXPHGSA-N 489.660 5.177 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1 1785799436 AZMIBTIRRZLJAO-XLIONFOSSA-N 491.579 5.025 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCC(=O)Nc4ccccc4)cc3)CCC2)cc1 1786111514 OLRLKZXPSLGDHL-UHFFFAOYSA-N 494.595 5.309 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccccn4)cc3)CCC2)cc1C#N 1786963454 LHUUEAHPFXVFHA-UHFFFAOYSA-N 482.584 5.121 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc3)CCC2)c1 1787148938 LSQPSVIZSVOQMC-KRWDZBQOSA-N 490.510 5.372 30 20 JKED CO[C@@H](C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1)c1ccccc1 1787713960 HVEIXBLSKOCUBO-LECGRMGRSA-N 474.582 5.009 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCC(F)(F)F)CCC3)cc2)c(C(F)(F)F)n1 1788357577 SMJVXCVLFSJXHG-UHFFFAOYSA-N 484.400 5.062 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)ccc1F 1789014723 QZLQUEJYBOMLIW-UHFFFAOYSA-N 478.527 5.236 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccnc(C(F)F)c3)CCC2)cc1 1789507721 PAQCITDDJSNNBX-UHFFFAOYSA-N 483.635 5.818 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)CCC1 1789704957 HXODUGGCAGEMEB-KRWDZBQOSA-N 452.407 5.091 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccc(F)cc34)CCC2)cc1 1790570030 PMGHNIAWCXENAO-GOSISDBHSA-N 478.568 5.175 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cc5ccccc5o4)CCC3)cc2)cc1 1790707398 KYIQIGLLLCQGNG-CCEZHUSRSA-N 475.548 5.960 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)no1 1790764451 ZLXKPXATSLLRDI-UHFFFAOYSA-N 462.937 5.385 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)cc2)CCC1 1790774948 ZBXFHEDSGLWOGJ-INIZCTEOSA-N 486.956 5.105 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785200 WHHUEKXIXPARIT-INIZCTEOSA-N 486.494 5.126 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3c(CC)nc4ccc(Cl)cn34)CCC2)cc1 1791299423 IGBKSKHDRXFANE-UHFFFAOYSA-N 486.950 5.509 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cn(-c4ccccc4)c4ncccc34)CCC2)cc1 1791574271 JCGBAMZYKRDAOJ-GOSISDBHSA-N 470.598 5.092 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C4CCSCC4)cc3)CCC2)c1Cl 1792354500 SVZVQIYEJYQCEM-UHFFFAOYSA-N 453.995 5.103 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(C(F)(F)F)coc1C)C2)c1ccccc1 1798553188 LAPKYSLESNINAW-PLACYPQZSA-N 472.507 5.056 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(O)c3cc1OC)C2)c1ccccc1 1798556825 JTUKSJJDHDHHGY-ZFFYZDHPSA-N 496.607 5.003 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2CSc2ccccc2)C3)cc1 1799669543 YIPLUQOGEDYWHP-QEIWAGNOSA-N 481.621 5.416 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CC#N)cc1 1800543641 NQQXEMGZSSOHFG-OOSCYNTBSA-N 481.596 5.015 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4sccc4s2)C3)c(Cl)c1 1800688945 DUVZHCULLZZVBA-QDMKHBRRSA-N 455.992 5.053 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1802415374 GORSHRIIBJATSV-YIXXDRMTSA-N 467.569 5.160 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3cccs3)on2)[C@H]1c1cccnc1 1802496310 PMTUCFIPLUMQQW-CVDCTZTESA-N 478.618 5.110 30 20 JKED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1802692440 OAUQRVVRCIJKOI-BKMJKUGQSA-N 498.652 5.243 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1803091913 SPTGGFMWCGXFEN-DHLKQENFSA-N 480.678 5.359 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803229489 YBGIAFPTFBDHAL-YGPDHOBYSA-N 480.052 5.374 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1804001460 YBZHWTNWMQKLJF-BJNDOISUSA-N 471.523 5.032 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1804168520 PKCZAHDIMFQWHL-GJKKTMQMSA-N 491.701 5.453 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1 1805088000 AMFWJELLDRQNJC-FQEVSTJZSA-N 464.009 5.434 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)Cc3cccc(Br)c3F)C2)CC1 1805654587 DMDPOEYWGFEUMS-FQEVSTJZSA-N 491.445 5.130 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)CCCCCCCCCCC(=O)OC)CC2)C1 1806681732 NMDJYRWMACRTTL-UHFFFAOYSA-N 494.742 5.211 30 20 JKED Cc1csc(CCC(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810275119 SIMCBDWHQHZNPL-HOFKKMOUSA-N 495.765 5.141 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2F)[C@@H]1c1cccnc1)c1ccccc1 1810448816 YGODRCRZFQANRN-CERRFVOPSA-N 483.587 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1811205525 APCWPXTYVMZQLO-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cc(OC)cc2C)[C@H]1c1cccnc1 1811646481 XPUSXGRKALBOBB-WIOPSUGQSA-N 463.622 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1811696916 IYNBFRSBLOSNAT-NJNPRVFISA-N 488.415 5.182 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1)c1ccccc1 1812148506 DAXCAQBQIBIXEJ-YCVJPRETSA-N 491.591 5.345 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1812791031 FOLKEVHBKMWNPM-LIOHBJMPSA-N 451.655 5.318 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)COc2ccccc2C#N)[C@H]1c1cccnc1 1814065880 RZHCHPDCMSDFPM-UFHPHHKVSA-N 490.648 5.035 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)[nH]n1 1814439931 GFVCLYLLMMJYDF-XPNTWCBSSA-N 464.610 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)COc3cccc(Cl)c3)n[nH]2)c1 1814668790 BKFJNZSHJXWUFM-SBUREZEXSA-N 491.979 5.075 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1815244013 RUDHMGNJCONTLF-OXQOHEQNSA-N 460.600 5.024 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)oc2C(F)(F)F)n[nH]1 1816469061 LWPKRMUYALLSHZ-MAUKXSAKSA-N 464.488 5.404 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5ccccc5o4)sc3C2)c1 1818328640 HJNGGVIPTGLBRG-KXBFYZLASA-N 470.554 5.056 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c3ccccc23)n[nH]1 1818984023 OJJJVCIIUFLRJY-HXUWFJFHSA-N 467.367 5.207 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1819554091 FFJRAUHDUNFVGE-SFHVURJKSA-N 486.041 5.971 30 20 JKED CC(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)cc1 1820591551 BMZQCDVDYNJRFT-QHCPKHFHSA-N 459.525 5.164 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)CC1 1820978023 DLYYERQDGGFZKC-JOCHJYFZSA-N 465.573 5.333 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1821987871 WBXGTFRVYSEYKV-LJQANCHMSA-N 473.911 5.129 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c1 1823135064 OCEIBRCCEDMWAY-DEOSSOPVSA-N 453.546 5.087 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)c1 1823216018 NDDISIILRYUILP-HKQXUTBISA-N 459.594 5.313 30 20 JKED COc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)cc2ccccc2c1Cl 1823379047 WSNLAZFQLPQWIB-FQEVSTJZSA-N 491.979 5.225 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)cc1 1823685889 IFNZHPWWEOEYAC-LJAQVGFWSA-N 499.655 5.213 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)C1 1823701564 NFFILKWIUYTAEP-XMMPIXPASA-N 451.998 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823749881 ZHJXUHHLIIZTPR-HSZRJFAPSA-N 491.717 5.244 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1824384638 DPROAMDCMRFFDL-CUNXSJBXSA-N 489.685 5.291 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1824500685 LZFXQUXTMMYBAV-XNMGPUDCSA-N 489.100 5.682 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824957463 ZPNBPWUVHIDBMF-SANMLTNESA-N 460.618 5.032 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3occc3Br)CC2)c1 1827770054 TWBBZYKMXPHFQK-VGOFRKELSA-N 498.421 5.216 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1 1828410078 IQKWVPJGZINEND-HSZRJFAPSA-N 462.726 5.330 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2c1 1828526575 BHPAQRAPDXWMOF-FNZWTVRRSA-N 499.611 5.616 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828904131 QNYMAIUVYAABHN-QHCPKHFHSA-N 488.148 5.328 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1828906895 OMZXDMSOFSILSH-DSYNPFFXSA-N 470.774 5.484 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2noc3ccccc23)CC1)c1ccccc1 1829032428 JTJUTYFPLGGOAX-NAKRPHOHSA-N 497.639 5.187 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1829372077 XMYXYQXMIRTYJB-YADARESESA-N 483.056 5.186 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1829491847 XHTDAVAQXQAKDU-LJAQVGFWSA-N 492.623 5.362 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829692912 PSDQUBWZDNBZDO-KBMIEXCESA-N 489.019 5.386 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)oc2ccccc12 1829954506 GHRIYDXCEMEVRZ-XMMPIXPASA-N 455.558 5.160 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830536699 PJZRKBQPKXEGAF-HRAATJIYSA-N 486.962 5.183 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1830627826 ADIMRTRZGMEWIR-OYUWMTPXSA-N 490.047 5.443 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1Cl 1830770781 JTCOKSGYUOXINL-DEOSSOPVSA-N 480.008 5.076 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)CC1 1830951047 ATDNIDOMALWTNH-ZEQKJWHPSA-N 490.644 5.556 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1831851979 IUBAQMPSYPRARI-FQEVSTJZSA-N 453.385 5.169 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)c1Cl 1832478990 XQOIAULHWXBQPZ-QFIPXVFZSA-N 454.014 5.025 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1C#N 1832704745 SBAOYMYJCYDUEX-WWUYVNTOSA-N 491.676 5.405 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CCC1 1832783446 ZRHQCWVMCFAWOI-QFIPXVFZSA-N 480.008 5.527 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1838375054 VAEWTXPGSHTWGW-VWLOTQADSA-N 460.703 5.750 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccc(Cl)cc1Cl 9826138 RAPCPAYPPMXHIO-UHFFFAOYSA-N 479.389 5.186 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11153252 KSYSZHAHPFELIQ-UHFFFAOYSA-O 479.669 6.849 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)cc1 11250721 KJNFEIVBPHRQIC-UHFFFAOYSA-O 497.596 5.574 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)cc1 11520413 IDRZWWBAJOOYQW-UHFFFAOYSA-N 469.998 5.056 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)COc3ccccc3Cc3ccccc3)n2)C[C@@H](C)O1 14122041 IYGNHGHLQBRGCN-KDURUIRLSA-N 451.592 5.010 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 15276419 RHFNEHRZRLLRAV-KRWDZBQOSA-N 450.608 5.557 30 20 JKED COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1Cl 18065475 GXPFWTIZZWNAJT-PKNBQFBNSA-N 465.933 5.579 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccccc1OC 18973013 DTESGQCGPLIHRT-GOSISDBHSA-N 458.587 5.262 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)ccc1Cl 21791691 XJTDTGLTQHCXAO-UHFFFAOYSA-N 486.355 5.380 30 20 JKED C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccc(Br)cc1 21927508 GVMNPOOHTKQSNQ-UHFFFAOYSA-N 473.396 5.016 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1c(C)cccc1C 22693811 VNSHLHIBSHLKCB-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)NCCc2ccc(OC)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22802664 KXBPUWZWQUZREY-UHFFFAOYSA-O 489.661 5.031 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 23739216 UMESGWTZIXLCAD-UHFFFAOYSA-N 491.432 5.140 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(Br)cc1 24015652 PDJUINGUPUARAZ-ZDUSSCGKSA-N 478.441 5.086 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1ncc(-c2cccc(Cl)c2)o1 24047767 IHLUKHNAPVRWDW-UHFFFAOYSA-N 456.930 5.783 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccsc2)ccc1Cl 24384060 QYQNQLGGCMNCGN-UHFFFAOYSA-N 495.453 5.708 30 20 JKED CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)cc1 25837772 SWTQQGSCBQUJNG-UHFFFAOYSA-N 477.586 5.248 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28649232 OMKZQSZEZCMXEI-UHFFFAOYSA-O 490.649 5.160 30 20 JKED O=C1/C(=C\c2ccc(O)c(Cl)c2)CN(c2ccccn2)C/C1=C\c1ccc(O)c(Cl)c1 60132763 NLWNWMXPMXXMMG-BUOZRGFLSA-N 453.325 5.356 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(CSc2nccn2C)o1 60324407 KMVKQAGMOMXAPN-UHFFFAOYSA-N 464.360 5.035 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(Br)cc2Cl)CC1 105946130 LILIBZZFFIFYCG-UHFFFAOYSA-N 475.730 5.077 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nc(O)c2c(C)c(C)sc2n1 302968117 FWZXKEZMQDMHSY-UHFFFAOYSA-N 458.543 5.557 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 302997707 NQVFFYRSAMCZLR-UHFFFAOYSA-N 453.495 5.185 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 303272941 RSINKZAKHDBEJD-UHFFFAOYSA-N 468.340 5.007 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 409786327 ATAOPNCQBYYNTH-YIXXDRMTSA-N 455.558 5.621 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(CSc3ccccn3)c2)nc2sccc2c1=O 496591435 IXBAIJXIAWKVPF-UHFFFAOYSA-N 480.640 5.062 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCc2ccc(C)s2)c1 499837805 AFDTZBFPMDBRMY-UHFFFAOYSA-N 461.008 5.021 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2)cc1 501423161 LYXHTXQASBZDHG-UHFFFAOYSA-N 473.532 5.438 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)nnc1C1CC1 504272931 QPJHLEDDCFVNMO-UHFFFAOYSA-N 486.395 5.022 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccco2)Cc2cccs2)cc1 511421825 ONDMQSPWIICGNC-UHFFFAOYSA-N 457.555 6.220 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 511564990 RRAMEQSKNXOFTQ-UHFFFAOYSA-N 477.476 5.301 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCC(F)(F)C(F)F)nc3)cc2)c1 511910283 VGNMXAMSAGXNLE-UHFFFAOYSA-N 459.399 5.064 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccc(F)cc2)cc1 513087835 CTCNMPHQKADYCI-LJAQVGFWSA-N 495.554 6.390 30 20 JKED CCn1c(S[C@H](C)C(=O)N(C)CCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 513466728 JXRPUMQTIODFJJ-GOSISDBHSA-N 470.602 5.033 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl 514575320 WQNQKIPXXKGFCV-DEOSSOPVSA-N 494.016 5.422 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(COCc2ccco2)c1 514820253 BQOHVVHTBVMEQV-UHFFFAOYSA-N 454.551 5.949 30 20 JKED Cc1cc(-c2cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1 515372160 BUTWBXUJLVQTGU-UHFFFAOYSA-N 455.562 6.064 30 20 JKED CCN(C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)[C@H](C)c1ccc(C#N)cc1 515703622 XCFMQVJTEKMSTN-OAHLLOKOSA-N 469.969 6.196 30 20 JKED CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515919323 LVCWDRGYJDQJKQ-AZGAKELHSA-N 489.019 5.133 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(Cl)c2OC)nnc1-c1ccc(Cl)cc1Cl 516209170 CEIFEORHVFXHJG-UHFFFAOYSA-N 483.808 5.831 30 20 JKED N#Cc1c(CCCNC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)nn(-c2ccccc2)c1N 516694207 MHVMYSKDDQGMMV-QHCPKHFHSA-N 491.020 5.062 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 518506209 LGVOTQJFRZCBNS-SFHVURJKSA-N 496.592 5.907 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)cc1 518516512 HYCDSICXPJEJQL-FQEVSTJZSA-N 470.579 6.002 30 20 JKED O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)N1CCCc2cc(F)c(F)cc21 518641450 ROYHCYBZPUXQCB-UHFFFAOYSA-N 492.782 5.748 30 20 JKED CCc1nc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1c(Cl)cccc1Cl 518660878 FJMUFFXPPAWQGC-CYBMUJFWSA-N 460.390 5.641 30 20 JKED C=CCn1c(SCC(=O)Nc2cnn(-c3ccccc3)c2)nnc1-c1ccc(Cl)cc1Cl 519977671 LDCTYJLTWQMFNK-UHFFFAOYSA-N 485.400 5.354 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2)cs1 520427640 SOHVQNFERBFFBO-KRWDZBQOSA-N 467.522 5.922 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1nc(-c2c(F)cccc2F)cs1 521259561 RHLNRROLCUVQOG-AWEZNQCLSA-N 464.472 5.392 30 20 JKED CC(C)Cn1ncc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cnc21 524389742 ZQXLQKCLQZZWAD-UHFFFAOYSA-N 459.937 5.444 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(CSC)o3)c2C#N)C1 589041301 SLPJTZMOIBYXKW-GFCCVEGCSA-N 450.655 5.138 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)c(C#N)c(C)c1C 603774568 APWPLBFRXBERGR-UHFFFAOYSA-N 496.995 5.332 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2cccc(COCc3ccccc3)c2)o1 603891757 PTZFOKUQDSWXST-UHFFFAOYSA-N 452.510 5.377 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1OC 603904399 GCQNEGILZDRYPK-MRXNPFEDSA-N 477.586 5.079 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)CC1 604451766 HLLVVMFRIJTVBU-UHFFFAOYSA-N 479.993 5.582 30 20 JKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 608926045 XDAURRSHJOFPFP-UHFFFAOYSA-N 479.462 5.267 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609060178 UHUONXVHLNWZEG-OAQYLSRUSA-N 481.346 5.479 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1 609079123 JYRSHXRVUDTZCY-UHFFFAOYSA-N 482.584 5.896 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1cccc2c1OCCO2 609079583 GQRIGNCUUAZHEN-VWLOTQADSA-N 469.541 5.586 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCCCc1cccc(C(F)(F)F)c1 609088350 TVRLLEWMOXNSLM-UHFFFAOYSA-N 495.501 5.152 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)cn2)c1 609116368 XEFTZYNIYOQDIY-UHFFFAOYSA-N 466.419 5.143 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 609376498 BIZAJRDYDUNFPO-ATEJDMMGSA-N 483.637 6.057 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 609434922 BTEYIULMVSVNOI-LJQANCHMSA-N 488.613 5.800 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)nc2sccc2c1=O 613438797 NNOPFRPRBMOJMA-QFIPXVFZSA-N 479.602 5.123 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726112148 MMCYKANVNSSIER-YWZLYKJASA-N 485.610 5.134 30 20 JKED CCn1cc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccc(C(C)(C)C)cc2)cn1 726178484 KHLNCIDEHLZKQF-UHFFFAOYSA-O 492.669 5.218 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)n2ccc(=[N+](C)C)cc2)c(C)c(C)c1C 726571634 ZTQVFLRVCSLJKK-UHFFFAOYSA-O 492.068 5.602 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1=S 726590647 PKPGADOBOIKYBQ-OAQYLSRUSA-N 490.608 5.217 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2ccccc2C(C)C)cs1 727062693 YZBLVOPFBMYGEI-UHFFFAOYSA-N 472.039 5.925 30 20 JKED COc1ccc(OCc2nc(/C=C/C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cs2)cc1 727266972 LJORNJYLFPJHFQ-RUDMXATFSA-N 469.475 5.060 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(I)cc(C(F)(F)F)c1 728148135 USDONSRLCJZPHW-HNNXBMFYSA-N 496.226 5.305 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c(=O)oc2c1 728186618 LCACMTTYHJQTDT-UHFFFAOYSA-N 486.499 5.271 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1CCCCC#N 728776510 CLAGUIYTMKCETL-NRFANRHFSA-N 479.993 5.174 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCCCC#N)C1=O 728778165 QPUWSZGOMAQKAA-HXUWFJFHSA-N 470.982 5.003 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 729146062 OPWWLMBQKGEPRF-JOCHJYFZSA-N 486.622 5.765 30 20 JKED Fc1ccc(-c2nn(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2Br)cc1 729462524 HQVIBXVFFHMIAI-TXEJJXNPSA-N 474.218 5.472 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)cc1 730460329 XZRWWWOCAPZMGI-FQEVSTJZSA-N 474.989 5.058 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CCOC 730525947 LMYOTBHVUSLTPU-GOSISDBHSA-N 480.417 5.163 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 730687218 MHCIVWUCTPNESP-MRXNPFEDSA-N 471.529 6.556 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730709010 MCYSJKDBXIHLMA-QFIPXVFZSA-N 474.517 5.127 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cocn3)C2=O)cc1Cl 730709816 VVRYRTCMXRNXFE-FQEVSTJZSA-N 468.966 5.105 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 730943921 NJNRWBLPUSRTCA-AOMKIAJQSA-N 496.995 5.273 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 731061389 RXZHYNIRQYPWBF-LBPRGKRZSA-N 479.410 6.398 30 20 JKED Cc1nc2cc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2n1-c1ccccc1 731065067 YSOXEOSLYJEVFV-GOSISDBHSA-N 484.581 5.524 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 731352405 WUEBNQQEHPBDEO-SNVBAGLBSA-N 463.217 6.745 30 20 JKED COc1ccc(Cc2nnc(S)n2N=Cc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 744746696 DWBUZQJGXBVHJT-UHFFFAOYSA-N 486.626 5.022 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 749337567 FXKADWXGGZNQEE-MRXNPFEDSA-N 467.234 5.159 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)cc1 799218793 GIPYQHRJZWTATR-QGZVFWFLSA-N 469.916 5.479 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OCc1ccccn1 819844975 ARUICXWQUXCIDA-UHFFFAOYSA-N 486.384 5.309 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 837766549 YJTDNDZXQPVNDN-CJAUYULYSA-N 498.583 6.095 30 20 JKED CC(=O)Nc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C)cc1 873856786 LWVBYAHBBZQWSO-DEOSSOPVSA-N 486.597 5.114 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1F 914540959 GYQUNPAQNMZKTC-JOCHJYFZSA-N 492.576 5.007 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)cc1Cl 914549406 DUFGZUUTFPCYJO-INIZCTEOSA-N 468.431 5.164 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3csc(-c4ccc(OC)cc4)n3)cc2c1C 914773816 YNFSGICPTHSDQD-RMKNXTFCSA-N 450.541 5.420 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2s1 915099020 KMLUUWRMEZMSFS-NQIIRXRSSA-N 459.958 5.687 30 20 JKED Cc1nc(SCC(=O)O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)c(C#N)c(C)c1C 915378009 PJPCELYUEPYGKB-HXUWFJFHSA-N 479.524 5.196 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 915720083 ZAGFEAUDLVZQBM-IZLXSDGUSA-N 498.586 5.710 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 916210391 DGESLQHKPUPBNN-FQEVSTJZSA-N 468.941 5.035 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 916213940 ISYKFKCUIIFYCB-OAQYLSRUSA-N 485.512 5.117 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916910617 TWKUQOIOLXWQQY-XMMPIXPASA-N 481.552 5.959 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2c(C)c(C)sc2n1 916928588 OGFVAHPULDDXPX-CYBMUJFWSA-N 479.414 5.363 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(NS(C)(=O)=O)c1 918052393 GLIBLGWQQOSWIP-HNNXBMFYSA-N 484.965 5.258 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918298887 ZGAZQZWTNYJQQX-NRFANRHFSA-N 452.341 5.246 30 20 JKED N#Cc1c(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)sc2c1CCC2 919978073 WFRRMSHAMPXAEY-UHFFFAOYSA-N 475.371 5.733 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2cc(C(F)(F)F)ccc2s1 920112683 GRTDPRBMMBGRFF-QWHCGFSZSA-N 498.313 5.851 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c(SC(F)F)nc4ccccc43)n2)cc1 920139700 YDTKSFRLKQPPOM-OAHLLOKOSA-N 470.526 5.360 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)C2)c1 920140219 AAYREKOXGRBEBT-IRLDBZIGSA-N 469.570 5.111 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1c(C)noc1C 920353660 OYKWQXJFFBTXJN-VWLOTQADSA-N 498.608 5.914 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(F)cc2F)no1 920354448 CYHPLWXHRYXTHM-IBGZPJMESA-N 490.919 5.075 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)cc1F 920356302 PEPKPWWPHIYUME-OAQYLSRUSA-N 484.528 5.039 30 20 JKED Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)cc1C 920783054 KEZVCULMSSWFAS-UPIHBEMDSA-N 482.650 5.265 30 20 JKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806157 HWYHHWAGRIDVOX-JQWIXIFHSA-N 453.297 6.039 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 920867456 RXVYDWLTTUJFCQ-HXOBKFHXSA-N 479.577 5.222 30 20 JKED O=[N+]([O-])c1ccc(O)c(C=Nc2cccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)c1 920942558 KDTKRBCVQLIFRS-UHFFFAOYSA-N 479.486 5.167 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC[C@H](c3nc(C)no3)C2)c1=S 921051142 LZUJLZFDMSRIQQ-IBGZPJMESA-N 452.628 5.093 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)COCC(F)(F)F)cc1 921254956 VEICSIBIFDTVQS-BEFAXECRSA-N 497.514 5.062 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 928682016 RWUXQEHZFYFQBL-INIZCTEOSA-N 479.533 5.159 30 20 JKED N#CCSc1ccccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 929089583 SKZRTDWLTWMGOX-WOJGMQOQSA-N 492.409 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCO2)C1 1779240237 BWCFWSADUNSFDJ-AREMUKBSSA-N 470.997 5.036 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[C@H]2C1 1784176710 DNIAURPGSLXGBM-BIHRQFPBSA-N 475.073 5.052 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4)cc3)CCC2)c(C(F)(F)F)n1 1785757361 UIRURACPAMYDNV-UHFFFAOYSA-N 499.880 5.082 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccn5c4)cc3)CCC2)cc1 1788412040 KSAWJNKDWMYVCS-UHFFFAOYSA-N 454.555 5.128 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccoc5c4)cc3)CCC2)c(Cl)c1 1788485710 QZGDTJHKWKOBGF-UHFFFAOYSA-N 470.916 5.414 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)CCC2)c1 1788687301 LFLAESSGLVVVAO-UHFFFAOYSA-N 484.943 5.861 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CC[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)CCC2)C1 1789200060 IXUMIJXVKXERDG-QHCPKHFHSA-N 481.637 5.266 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)c(O)cc4F)cc3)CCC2)C1 1790086525 ZPGGTWIFMFZCDE-UHFFFAOYSA-N 473.342 5.008 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)CCC1 1790161019 LOHASLNWTIADSR-UHFFFAOYSA-N 486.469 5.354 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1 1790469816 LXGXOIBPINHNIE-URXFXBBRSA-N 493.648 5.174 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(O)c3)cc2)CCC1)C(F)(F)F 1790671857 IYCGWNBGZIKVGV-UHFFFAOYSA-N 483.284 5.021 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccoc45)CCC3)cc2)c1 1790767173 YCUNMHMISUEJQQ-UHFFFAOYSA-N 453.473 5.505 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)cnc4s3)cc2)CCC1 1790987608 VHHSSBZFPUCMNA-LBPRGKRZSA-N 490.448 5.125 30 20 JKED COc1ccccc1CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1791354224 ZNTVERAQAILQOZ-UHFFFAOYSA-N 473.960 5.211 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCSCc3ccc(C)cc3)cc2)CCC1 1791502258 UCPGDWBYVDISTD-NRFANRHFSA-N 481.662 5.553 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccccc4)cc3)CCC2)c1 1791531960 AOPHWTLEXNTUSR-UIOOFZCWSA-N 465.553 5.118 30 20 JKED COc1ncccc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123169 KUNYXJNFBRJRFK-HXUWFJFHSA-N 482.584 5.098 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)c(F)c2)C3)c1 1792940408 HPKYZAUPWQVTFU-OOSCYNTBSA-N 481.571 5.249 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nc(-c2ccccc2)sc1C 1794248171 FULQLPBPRWYZHV-NUNAXRQHSA-N 463.647 5.068 30 20 JKED Cc1ccc(CSCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)cc1 1802132951 SMCUGJDCJFMCDM-KOUNCHBCSA-N 482.049 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)[C@@H]1c1cccnc1 1802493363 XKZFUCGLBDKEBK-GBXCKJPGSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1802748009 OXFFRRJAUCAGFJ-UGKGYDQZSA-N 489.538 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)[C@@H]1c1cccnc1 1810503898 SNIIUUOLXWERFX-GBXCKJPGSA-N 494.039 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1810762791 OFLIQNVDERXKMI-FXAWDEMLSA-N 475.420 5.095 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)cc1 1811532703 APJJOOMKYGFQDC-HXWPOMFWSA-N 495.627 5.047 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4)[C@H]3c3cccnc3)sc2c1 1811888439 CUAYXFUGPIOKAW-ZEQKJWHPSA-N 480.593 5.110 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)sc3Cl)[C@H]2c2cccnc2)c1 1811937023 HGHWWTKVQMPPIE-UWJYYQICSA-N 499.423 5.263 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3c(F)c(F)ccc3c2)[C@@H]1c1cccnc1 1812243410 YXCOEDCEWNHONO-CPJSRVTESA-N 492.570 5.220 30 20 JKED CC#C[C@@H](CC(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1)c1ccc(O)cc1 1813120888 WVXGHWYHNKQQKJ-YIVQJXSLSA-N 499.655 5.127 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2F)n[nH]1)c1cccs1 1814580411 UHAKLACSXLLRBG-GFOMBABLSA-N 486.956 5.009 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1815208134 ZIZKYJFULQUAOP-IBGZPJMESA-N 470.570 5.052 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)[nH]n2)[nH]c2c(Cl)cccc12 1817945553 ACZLEODBINMYOY-UWJYYQICSA-N 474.030 5.113 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)cc1 1818813385 WUPIDUDFTZQDSB-JHUUHBRDSA-N 479.540 5.241 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1819306954 JUOZEAAOVJADPY-IRLDBZIGSA-N 454.691 5.221 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820080668 UDBHUTOWNWYFPV-XMMPIXPASA-N 499.640 5.555 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2)n[nH]1 1820527555 RZJILVCWLFEFFB-QUCCMNQESA-N 460.500 5.503 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[nH]n2)cc1 1820549877 UOSUNELKSCXOCA-KZDDHRSZSA-N 459.594 5.194 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)[nH]n2)cc1 1821180585 YWFHYDRUXFQRIT-FIXSFTCYSA-N 487.991 5.239 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)[nH]n2)c1 1821325751 OPEHCTUWCMAFPY-XMMPIXPASA-N 498.974 5.411 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccoc34)n[nH]2)c1Cl 1821537192 LPGOSIIIMKOSCZ-HXUWFJFHSA-N 473.920 5.301 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(s3)CCC4)[nH]n2)c1 1823212741 YYCOFDCSZUDQAY-HRAATJIYSA-N 473.602 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)ccn3)[nH]n2)c1 1823218334 QQQCBPREXKTIOJ-BTYIYWSLSA-N 496.493 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ncc[nH]4)cc3)n[nH]2)c1 1823271175 PQXKHBWLSBXBGU-KOSHJBKYSA-N 493.571 5.047 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3F)n[nH]2)cc1 1823295928 YBADBNCKXUBZQE-NRFANRHFSA-N 499.468 5.253 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1823888056 DHELYWWURIFXCJ-HSZRJFAPSA-N 495.023 5.310 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1824511265 CLHHGQNLJXJYNC-NIJXNBFTSA-N 475.073 5.290 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1824542574 ZLLBENLDHCOPNB-GOTSBHOMSA-N 474.070 5.076 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)s1 1827681738 QROJJQRWRHUMBU-YUAYGMJFSA-N 484.687 5.109 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1827844055 CSJDJXYCNSPYBE-QHCPKHFHSA-N 485.745 5.220 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1 1828821209 ILFHNWRMSOXRQS-SDUSCBPUSA-N 454.680 5.555 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1828827600 QBAUPUOXWJGJIM-GOTSBHOMSA-N 462.556 5.707 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccccc3n2)CC1)c1ccccc1 1829032908 SJMROHMEKOTPEM-IRPSRAIASA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1829066623 NAWBTXRXSIGKQG-XMMPIXPASA-N 471.592 5.672 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1)C(F)(F)F 1829419368 QCXYILKVSFMEDY-LJQANCHMSA-N 477.552 5.162 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576469 BXZVQZFFEXOAED-HSZRJFAPSA-N 493.698 5.602 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)CC2)CCC1 1829582015 IAQBXLCRCHMXCR-OAQYLSRUSA-N 474.630 5.081 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c(Cl)c1 1829895387 VMFHEQWBVOQHBD-QHCPKHFHSA-N 470.400 5.412 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1830104211 MVTCZXGNULYDCW-VWLOTQADSA-N 494.035 5.548 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c(F)c1 1830470503 LWTAQNLTRXEDDX-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1831445410 ISXPEUONWZWMSC-IBGZPJMESA-N 498.496 5.026 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1831447558 YNHADBSZJWFZBI-IBGZPJMESA-N 476.461 5.289 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1831449431 ZMOWSWOORYBDKL-PZJWPPBQSA-N 464.984 5.201 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1)c1ccc(O)cc1 1831925721 JEKIHLFQNZCDLD-NAKRPHOHSA-N 498.623 5.569 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1)c1ccc(O)cc1 1831926356 RGQVMJNOYCZQIZ-LEAFIULHSA-N 498.623 5.569 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1832033757 BSEYWRCWRRZCLN-ZHSJKAEUSA-N 485.466 5.276 30 20 JKED Cc1cccc(F)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635796 SJVVTEBXYZGJGF-NBGIEHNGSA-N 461.581 5.308 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)CCC1 1832781316 XMQUXRUXRNCTLA-QHCPKHFHSA-N 489.582 5.342 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccccc2C#N)CC1 1832793607 AEMVGFDTCGNKLY-VWLOTQADSA-N 481.681 5.553 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1835816126 VJRMEERFZJRCPW-LOSJGSFVSA-N 486.100 5.008 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)n(-c2ccccc2)c1C 10100659 YZXVGXYJRCVWQP-UHFFFAOYSA-N 468.586 5.155 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173803 LSAWLWQZXJKFKS-UHFFFAOYSA-O 467.614 6.015 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760380 AOMHSAPNRNULIR-UHFFFAOYSA-O 487.064 6.676 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2C(=O)c2cccs2)n(C2CCCC2)c1C 12479369 JIOCOWYYQXEFMK-UHFFFAOYSA-N 475.570 5.180 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1-c1ccoc1C 21925069 OIVDXYQUHLJTCO-JOCHJYFZSA-N 489.557 5.721 30 20 JKED C[C@H](c1ccccc1)n1c(SCC(=O)Nc2ccccc2SCC#N)nc2ccccc2c1=O 22156292 INPNGVDZQKMWDW-GOSISDBHSA-N 486.622 5.352 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccc(CC)cc2)cc1 22730981 LVBWNJJKHZEFCY-UHFFFAOYSA-O 468.440 5.912 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 25754138 IJWIEXOGIWMRHC-UHFFFAOYSA-N 482.527 5.658 30 20 JKED COc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC(F)F 27286080 HINVCDNOKUSIRA-UHFFFAOYSA-N 454.498 5.391 30 20 JKED COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)c1 33227684 HXODKHVIJCKWPC-UHFFFAOYSA-N 471.538 5.530 30 20 JKED COc1ccc(C2(CNC(=O)c3ccccc3Sc3ccccc3C#N)CCOCC2)cc1 60020683 UIEWGLQOUOQHPA-UHFFFAOYSA-N 458.583 5.196 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(OCC(F)(F)F)c3)c2)cc1 71927505 HQVKAASUHQWHBO-UHFFFAOYSA-N 469.463 5.594 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1ncnc2sc(C)c(C)c12 72025237 IHILDUFGRORDQZ-UHFFFAOYSA-N 460.584 6.011 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(C)c1I 107805965 UFFKGNOVUNCHLW-UHFFFAOYSA-N 469.282 5.219 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2ccccn2)c1 195600157 UIKMWASECAFEPM-INIZCTEOSA-N 490.412 5.261 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c2ccccc2n1 302853848 YPGKZRWUPYWBMY-UHFFFAOYSA-N 459.550 5.146 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl 303252337 CKMDSSXRNWZDFA-UHFFFAOYSA-N 485.975 6.578 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 303267541 QMMANJWGRCCVRC-UHFFFAOYSA-N 494.555 5.188 30 20 JKED C=CCN(C(=O)c1oc2ccccc2c1COc1ccccc1)c1nc(C(=O)OCC)cs1 409829167 ZOZYNDZQQYBIGJ-UHFFFAOYSA-N 462.527 5.478 30 20 JKED CCOc1ccccc1[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)NC(C)=O 476169945 QGTVYJVPHYESTG-VWLOTQADSA-N 457.530 5.264 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(-c4nnc5n4CCCCC5)ccc3F)c2)cc1 482082667 ZUFCUOVJJLFHHO-UHFFFAOYSA-N 467.504 5.727 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 485322423 SXFAYLDAFYFDDJ-INIZCTEOSA-N 482.462 5.231 30 20 JKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCO[C@H](c2cccc(Br)c2)C1 500567305 HNWZVONRLZKQJZ-IBGZPJMESA-N 460.278 5.048 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)c2)cc1 501446698 CMDKSSUXORRCFP-UHFFFAOYSA-N 498.608 5.011 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 502669566 NFABTENSHMERSS-UHFFFAOYSA-N 493.567 5.086 30 20 JKED Cc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c12 503572928 QJMRSNOYGLNNQL-JOCHJYFZSA-N 470.960 5.083 30 20 JKED Cc1nc(SCC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c(C#N)c(C)c1C 504814204 QKRFNKZASOUMIG-UHFFFAOYSA-N 481.625 5.199 30 20 JKED Cc1nc(NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)sc1SCC#N 504837592 UOYLDFYQJRLOOJ-UHFFFAOYSA-N 460.009 5.682 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1Cl 511501488 WLERWZYSZLUGMO-ISKFKSNPSA-N 457.961 5.168 30 20 JKED N#CCSCC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 512162262 DWNVPZTVFNYUHG-UHFFFAOYSA-N 464.594 6.219 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2[nH]1 513661362 RTORBWSUEGJAPY-SFHVURJKSA-N 459.303 5.068 30 20 JKED COc1ccc(NC(=O)CSCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 515321981 WPJTZSGAEXYWBT-OAHLLOKOSA-N 471.648 5.090 30 20 JKED COc1ccc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)[nH]c2c1 515405675 XLNMBIQSHDRDTB-UHFFFAOYSA-N 456.449 5.367 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cnn1-c1ccc(Br)cc1 515547398 VJWPNGCNWYDSPX-OAHLLOKOSA-N 471.767 5.696 30 20 JKED COc1cc(C#N)ccc1OCC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 516538362 JZVAIOZIZNKSDP-UHFFFAOYSA-N 481.386 5.035 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 518153545 QQJUPTJYDUYSIR-UHFFFAOYSA-N 481.474 5.111 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)n2)cc1 518516610 NZWSIAPZIULTDH-IBGZPJMESA-N 482.487 5.822 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 518676644 LBBHQDNHYCPGFW-JXFKEZNVSA-N 475.536 5.649 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(COCCOc4ccccc4)c3)CC2)c1 519184791 JNSXQEGOBIEFHY-UHFFFAOYSA-N 471.557 5.229 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)c2)cc1 519196588 JFBGAGIRTRYTBT-HSZRJFAPSA-N 478.346 5.718 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 519429336 RNJGHDVXSRPZDJ-SFHVURJKSA-N 483.590 5.054 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)cc1 520610603 IKIQTUBUTSWERJ-UHFFFAOYSA-N 482.561 5.885 30 20 JKED C[C@H](NC(=O)CC1(CC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCCCC1)c1ccc(C#N)cc1 520637805 IJSDZOGWHDBCJS-SFTDATJTSA-N 456.590 5.215 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1 523214792 NXASUSJTSYBNMH-HHHXNRCGSA-N 495.510 5.343 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CN3CCCN(C)CC3)c2C#N)C(C)(C)C1 551109680 SALYMEFATJDZMM-VOTSOKGWSA-N 480.703 5.344 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3COc3cccc(C#N)c3)n2)cc1 588348907 HBLPNJTUOUCOAQ-OAQYLSRUSA-N 455.495 5.352 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 590021333 XXLRFGIPENKAEW-UHFFFAOYSA-N 473.386 5.223 30 20 JKED C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 590979340 PHHMHQDLLYXHEB-MGPQQGTHSA-N 487.435 5.263 30 20 JKED N#C[C@H](C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838335 GVGVDJPNFHITEN-OAHLLOKOSA-N 484.324 5.701 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c1 604441704 UBBIJDVSVCUVOG-UHFFFAOYSA-N 493.548 5.678 30 20 JKED C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 608796906 BZFCAVKMBUCIPB-FQEVSTJZSA-N 498.677 5.979 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccc(I)s1 608873307 PMNFSBJBMZRRBG-UHFFFAOYSA-N 490.391 5.348 30 20 JKED Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 608894741 PQRQTYQFVVUCKT-QHCPKHFHSA-N 470.960 5.083 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc(OC)c1OC 609008293 XMWBTYBIMQBUAM-GFCCVEGCSA-N 485.776 5.882 30 20 JKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c12 609062550 AWSCBCBCMPJELH-UHFFFAOYSA-N 471.948 5.511 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cc2Cl)c1 609079553 GFDZRMICORUYTC-GJZUVCINSA-N 475.976 6.080 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 609438526 KZQIUFXMXARXQU-BTYIYWSLSA-N 470.019 5.640 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(Oc2ccc(F)cc2F)CC1 612804804 XKGCMJXUUQOMCS-IMRBUKKESA-N 474.392 5.427 30 20 JKED N#C[C@@H](C(=O)c1occc1CSc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 613404871 PRKGMFOSNFMMHD-INIZCTEOSA-N 458.486 6.690 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1ccc(Br)cc1 619153672 AJOPEBRNCOMYDR-CQSZACIVSA-N 475.387 5.460 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 620304583 PTJLICONGHVNLY-FQEVSTJZSA-N 471.488 6.029 30 20 JKED O=C(CC1CCC(C(F)(F)F)CC1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517506 KIMDGOKWGKXYHI-AJUCZRQESA-N 491.394 6.383 30 20 JKED C=CCN(C(=O)c1ccc(NC(C)=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891436 HLQIVDFNQRCINA-UHFFFAOYSA-N 453.567 6.268 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(OC(F)F)cc1 644970972 NUYVLSKBYZEWNR-UHFFFAOYSA-N 459.289 5.423 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1cnn(CC)c1 726113290 RFZIVJFZFWFXBJ-INIZCTEOSA-N 488.828 5.234 30 20 JKED CCc1cccc[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1ccc(Cl)cc1Cl 726571161 FRKAYBDNKVAUIV-UHFFFAOYSA-O 473.405 5.350 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 726725610 ABQSXBZWWPLXFV-RPWUZVMVSA-N 479.502 5.813 30 20 JKED CCOc1cc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 727267479 VJTZBEAPNZQUAN-FABDANFUSA-N 476.598 5.277 30 20 JKED CCn1c(SCC(=O)OCc2ccc(F)cc2C#N)nnc1-c1ccc(Cl)cc1Cl 728614724 MUAJQBVOJSOEEU-UHFFFAOYSA-N 465.337 5.118 30 20 JKED N#CCCN(CC1CC1)Cn1c(=S)oc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 728904497 KTBRTNSISCFUEZ-UHFFFAOYSA-N 477.011 5.001 30 20 JKED C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)C(=O)N(C)CCC#N 728982114 REIRVWMIOXVIBN-HVESIFNPSA-N 459.571 5.091 30 20 JKED COc1cccc([C@H](C#N)NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC 729426926 BONOMBKHDJCRMG-MOEXGYKKSA-N 458.358 5.136 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CC2)c1 730507732 VIANHBYIJLIQLT-SFHVURJKSA-N 477.558 5.133 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc1 730667592 VNVDFWLRDGPXGL-UHFFFAOYSA-N 480.565 5.222 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730942943 ZVAWLERAVWJNFB-SIKLNZKXSA-N 458.587 5.420 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730943303 BXVHMQYDDRNZRA-CYFREDJKSA-N 488.613 5.429 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944235 UHCSIZSPHZSRKB-CVDCTZTESA-N 458.587 5.420 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944698 FJBMVIXFRVSWIK-UDPRKJFLSA-N 478.643 5.603 30 20 JKED C#CCOc1cccc(NC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 730978254 YYWHPOMCRLNATQ-MRXNPFEDSA-N 475.595 5.336 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731306185 STNGJUDHJHQSHT-VFNWGFHPSA-N 480.977 5.162 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2cccc(OCc3ccccc3Cl)c2)c1 744797105 YCCPKRBJIOSQMT-UHFFFAOYSA-N 480.977 5.269 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1sc(-c2ccc(C)cc2C)nc1C 746596111 NVPCPPVYBGNCEY-LJQANCHMSA-N 477.586 5.236 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747603657 TUXSAQWLHJKUTL-SFHVURJKSA-N 492.960 5.235 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)nnc1-c1cccnc1 748347136 WDORDXYQSLXYIM-LJQANCHMSA-N 457.603 5.529 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nnc1-c1ccccc1 749794072 OUBFWDQIESFTSX-NBGIEHNGSA-N 481.625 6.302 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1C 837401042 CFTCQQLRPSLXKK-XXBNENTESA-N 458.587 5.420 30 20 JKED CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2ccccc2Sc2ccccc2C#N)C(C)C)c1 877353465 RBOYJOOXOVCECZ-RUZDIDTESA-N 487.581 5.488 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2ccsc2C(F)(F)F)no1 904926664 WYKRJIZWKBZVFI-UHFFFAOYSA-N 474.258 5.429 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1 914546101 CRMBSYAVYPQELO-XMMPIXPASA-N 491.588 5.441 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 914552453 BGNVVGBZQAIKCW-YADARESESA-N 472.614 5.043 30 20 JKED CC(C)c1nn(-c2ccccc2)c(Cl)c1C=Nn1c(S)nnc1COc1ccc(F)cc1 914560063 PKLVQVCPKFTPCM-UHFFFAOYSA-N 470.961 5.130 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914795934 OPLPNLDTTHIIQV-ZIAGYGMSSA-N 471.848 6.031 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)o2)cc1 915087051 ZSJXDVCCLBTVKM-JOCHJYFZSA-N 456.527 5.131 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccc(C)o2)cc1 915111193 KJACKLIYQSYQOE-QFIPXVFZSA-N 499.539 5.078 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCCCC1 915179768 INIUNOMICGPKJD-HHHXNRCGSA-N 497.664 6.478 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1 915199758 LAUOBWQUTPBQHP-JOCHJYFZSA-N 459.962 5.307 30 20 JKED N#CCOc1cccc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)c1 915710610 QYJDAUCEAHEJQW-UHFFFAOYSA-N 466.994 5.321 30 20 JKED COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1 916205241 MZOXFRPNPTUCMW-QHCPKHFHSA-N 477.561 5.037 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(OC)c2)N(Cc2ccco2)C1=O 916206864 TXMJKEYPQUSRGL-QHCPKHFHSA-N 493.585 5.238 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC(F)F)cc1 916212426 VTOKLKQOEOAJOU-GOSISDBHSA-N 465.497 5.043 30 20 JKED CCOc1ccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)cc1 916231742 YCVUWVIFOHVTMB-MRXNPFEDSA-N 471.888 5.005 30 20 JKED Cn1c([C@H](C#N)C(=O)c2sc3cccc(F)c3c2COc2ccccc2)nc2ccccc21 916844902 JIHCBNHWDBYMIE-QGZVFWFLSA-N 455.514 5.996 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916902577 ZWOZUPWYNKVXLB-CYBMUJFWSA-N 465.918 5.488 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 916912462 ZKFUCQQVQYBIJX-GOSISDBHSA-N 456.889 5.484 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1Cl 916941474 WIZUPWZJAFGQKN-GOSISDBHSA-N 479.895 5.010 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916943785 YPZDRYAESBORMC-BYVAAYKLSA-N 498.379 5.262 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1nc2cc(Cl)ccc2s1 917044548 UAKZWNSTJZVXQI-AWEZNQCLSA-N 499.345 6.110 30 20 JKED N#C[C@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 917045851 BIQXTPDKCVBUOR-CTNGQTDRSA-N 459.958 5.167 30 20 JKED N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)ccc2s1 917046919 NOPHOGMLUTUZOK-UNMCSNQZSA-N 489.984 5.664 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2C)n1 917666815 YJPHQGGBDVKXDE-QFIPXVFZSA-N 496.995 5.651 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)cc1 917684824 MUFWTTDELLZPLS-HSZRJFAPSA-N 492.576 5.088 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)c3ccccn3)C2=O)c1 917703014 KPSOLFLGZIPLBZ-YADARESESA-N 483.597 5.292 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1C#N 917706937 CFYAHXBYSZLYKW-HXUWFJFHSA-N 499.434 5.471 30 20 JKED Cc1cc(C(=O)NC(C)C)ccc1N=Cc1cc(Br)cc(Br)c1O 918712564 BHNUVDWJDDYPTC-UHFFFAOYSA-N 454.162 5.114 30 20 JKED COc1cc(/C=C(/C(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)c2ccccc2)ccc1O 919171606 YIVQVXGNNBHYQZ-KOEQRZSOSA-N 484.552 5.048 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)C(=O)Nc1ccccc1Cl 920109322 OQFPZJAQPOVNNS-AWEZNQCLSA-N 472.726 5.038 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 920110636 FGRYEJKVHZPROB-NPPFBWRTSA-N 485.544 5.638 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 920112078 VOOUDYDCOBSDSY-OXJNMPFZSA-N 494.389 5.898 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3c(C)noc3C)C2=O)cc1 920355280 KEXLLJILETXBOE-NRFANRHFSA-N 482.993 5.414 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)c1 920636095 RMXLGAWEORVOHH-UHFFFAOYSA-N 479.414 5.162 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 920745546 XTUSPJMHFXYNMH-UHFFFAOYSA-N 483.480 5.465 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1-c1ccc(F)cc1 921010736 VYVVKFZRXJXTKC-UHFFFAOYSA-N 459.502 5.327 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786175966 LQXZSXGAWSNUDO-UXHICEINSA-N 456.558 5.122 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(F)c3)cc2)CCC1 1786327052 IZIKQRWFQISSTM-UHFFFAOYSA-N 456.945 5.186 30 20 JKED CC(C)(C)CC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCC2)cc1 1787659682 HVAVFXSLBHXIBG-HXUWFJFHSA-N 491.698 5.158 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nn3-c3ccccc3)cc2)CCC1 1788670500 ZMZNMSXDXOAVPS-UHFFFAOYSA-N 464.516 5.140 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)nc5ccccc45)cc3)CCC2)CCC1 1788990472 RTBWVXUKMFNXRZ-UHFFFAOYSA-N 458.949 5.330 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C)c4ccccc4n3)cc2)CCC1 1789019653 ZPJAHACGNGJQBN-UHFFFAOYSA-N 457.574 5.274 30 20 JKED COc1cccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)c[nH]2)c1 1789576674 XPGJIVZUVDLEIZ-UXHLAJHPSA-N 496.567 5.150 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1)c1ccc(O)cc1 1789731544 OWWKVFKLVOVRAT-HXUWFJFHSA-N 487.987 5.386 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(OC)c4)cc3)CCC2)cc1 1790072552 CNHRPHLXNQCOLC-KAYWLYCHSA-N 495.579 5.127 30 20 JKED COc1cccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)ccc5F)cc4)CCC3)c12 1790766944 PLPLPQPXEKMBRB-UHFFFAOYSA-N 482.515 5.249 30 20 JKED CC(C)n1nccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785265 ZBRGTKADEOADQU-UHFFFAOYSA-N 495.505 5.416 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4)CCC3)cc2)cc(C(F)(F)F)c1 1790785422 MAPADDRDLIKFGG-UHFFFAOYSA-N 464.447 5.034 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2ccc(C3(NC(=O)[C@H](C)ON=C(C)C)CCC3)cc2)cc1 1791122569 GKAIRXMJKUCHLB-XJZVHDHVSA-N 463.578 5.034 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791516856 VUORUQWRHSKLBN-FQEVSTJZSA-N 493.595 5.271 30 20 JKED COc1ccc(F)cc1CC(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1791680379 XODGCPNWOOIVTN-ZRDIBKRKSA-N 492.572 5.012 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1 1792039978 SWRMEFARYNRHFX-ACSYHNTCSA-N 493.648 5.170 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccccc3)CCCC2)c1 1792862337 NACVLVIBLQZDCX-JTMVAAEOSA-N 455.602 5.077 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)C2 1797102653 VXBVWGZDPCJWSO-MUJYYYPQSA-N 492.391 5.330 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1 1800854558 VFHKAZQMGQLOJU-JPTIVFSVSA-N 499.561 5.824 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](CCC)CC1)c1ccc(O)cc1 1801813773 XNAMYELYJKLBHX-XORQXOLISA-N 464.650 5.134 30 20 JKED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1802694230 NFOHCJILUZFQAD-QPPBQGQZSA-N 493.051 5.193 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)COc2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1803422178 DRIDLTBCXMDNGZ-RSXGOPAZSA-N 477.649 5.084 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1804180086 ZLFWFVYAZUITTO-VFNWGFHPSA-N 498.863 5.281 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(Br)c(C(F)(F)F)c4)CC3)C2)C1 1804787107 IADGYRGGCQFUTA-UHFFFAOYSA-N 499.371 5.279 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CC2)C1 1804865276 KJZPREYVMCUNKQ-SANMLTNESA-N 479.709 5.265 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1808146943 DLMLUVYNTGSSQJ-DGWZTRNLSA-N 487.644 5.273 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)c1 1809759110 TYXZDFCOXZLUTQ-YADARESESA-N 486.622 5.171 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810175668 XAHXVDWOLFBSGK-ZTCOLXNVSA-N 496.533 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1810501045 FEMVBGLWGZMAPU-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2F)[C@H]1c1cccnc1 1810501704 CLBPMODILOQASE-RDPSFJRHSA-N 462.569 5.014 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810719375 UVMFMICBMGFETN-ABYGYWHVSA-N 499.611 5.176 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1811221236 SCDWLDLORORQDW-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3c(-c4ccccc4)cn4ccccc34)[C@@H]2c2cccnc2)C1 1811336567 XVEHBWKJVDZLBG-GIGWZHCTSA-N 490.607 5.287 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)sc3Cl)[C@H]2c2cccnc2)cc1 1811362607 RRTCYIZKHZHPDQ-NQIIRXRSSA-N 499.423 5.149 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCC3)c(F)c2)[C@H]1c1cccnc1 1811389217 ZWFLQVMEGHVCPN-ZEQKJWHPSA-N 492.639 5.133 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811466341 KJCNMDIYDLXWMI-HXOBKFHXSA-N 476.379 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(Cl)cn3c2C)[C@H]1c1cccnc1 1812258483 WITSICMIALIEOU-HYBUGGRVSA-N 494.039 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1812439923 QBUCXLKRVKEFHE-KWNHSTDBSA-N 478.036 5.239 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1)C(F)(F)F 1812682552 RGFVIKAQSMKTJG-CTNGQTDRSA-N 453.549 5.203 30 20 JKED C[C@H](CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1812732512 GAOGRUOKUIZYFO-VQEMNGCCSA-N 487.003 5.120 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)ncc2F)[nH]n1 1814441619 CRCAHQNWJHOZLC-KRWDZBQOSA-N 492.393 5.005 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2Cl)N(C)C)[nH]n1 1814828285 FIDSQNYQTRUGMY-UPVQGACJSA-N 484.044 5.127 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1815089949 CGSHZVLTUFAGRJ-CYFREDJKSA-N 487.629 5.087 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815207119 QZFSNLNKZPLTJB-OAQYLSRUSA-N 496.995 5.612 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)c(F)c2)n[nH]1 1817766381 ZJRNNHZXOOLVDC-OFNKIYASSA-N 499.587 5.010 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)[nH]n1 1818117601 ZKAAMGSCUAUELD-JNCYCUAHSA-N 474.586 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)n[nH]1 1818158943 IRKOVIDRFHNVQT-HSZRJFAPSA-N 490.608 5.107 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)oc2ccccc12 1818569743 IZUINXLXNYNEBB-FQEVSTJZSA-N 487.947 5.609 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)[nH]n1 1819305643 MITMSCSBGJFMFY-YJBOKZPZSA-N 464.488 5.404 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093298 DPNVXYBQGXXKCV-HXUWFJFHSA-N 491.642 5.398 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3Cl)n[nH]2)cc1 1820188834 PKLGYVQATSWOMD-HXUWFJFHSA-N 499.905 5.156 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1820973417 IZBJPAXNDLZYJC-APWZRJJASA-N 467.595 5.040 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821071824 KFXBWXHYPMAMBU-QGZVFWFLSA-N 497.846 5.051 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1822392386 ZWBHHHDMOOHSNY-KRWDZBQOSA-N 454.983 5.387 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnccc3C(F)(F)F)[nH]n2)c1 1823211181 KGROZHDUEUHOKP-BTYIYWSLSA-N 496.493 5.070 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823309059 IYKYSEJGMUJBLB-SJKOYZFVSA-N 485.799 5.267 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1824500846 DXDUABZKNLRAPA-LJQANCHMSA-N 460.665 5.179 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)CC1 1825890781 OZGVQMNIZZSIGQ-UGKGYDQZSA-N 463.544 5.102 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827714537 JYPNRMURWXQGNA-OAQYLSRUSA-N 471.548 5.095 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1828498134 IDGVMWZCQQCAOT-SANMLTNESA-N 499.659 5.331 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)CC1 1828830545 PPAWYJAEIDDBJN-HPEBZSCQSA-N 491.720 5.504 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)c1 1828906708 CIKUTZYESFLBIT-SANMLTNESA-N 482.741 5.288 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1828906786 HXGKWHZKBRLDDR-SANMLTNESA-N 492.736 5.100 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622685 SBUGIWRUCNDKDS-AREMUKBSSA-N 467.613 5.253 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829699324 ZLCAPWPJBVLQIR-RBBKRZOGSA-N 463.043 5.274 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1829701904 OWYVWXMHEWIHOT-RUZDIDTESA-N 490.003 5.813 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nn2C(F)F)CC1)c1ccccc1 1829763751 RYPGIZSKFVQZHJ-ZEQRLZLVSA-N 496.602 5.017 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sc(Br)cc3C)CC2)C1 1829782597 IRLDVRNOYXNOTJ-GOSISDBHSA-N 465.457 5.019 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1829959328 RYBGIVKIGZAUIQ-MUUNZHRXSA-N 478.596 5.167 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3N=C(C)CC3=O)cc2)CC1 1830072998 JKLZFWONESPGCJ-VWLOTQADSA-N 492.664 5.025 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2C)CC1 1830502095 ITVSNWGYTZHITB-FQEVSTJZSA-N 483.397 5.202 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)CC1 1830558895 MZGYEVOHMYYRLQ-QFIPXVFZSA-N 493.873 5.529 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830633097 DFZAIMVERNJUPT-NDEPHWFRSA-N 471.645 5.352 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Br)c3CC)CC2)C1 1830687438 VROJWNFUEJKLPW-HSZRJFAPSA-N 473.455 5.211 30 20 JKED C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)Oc1ccccc1 1830722947 ADAYAHQIJJAIQP-FNZWTVRRSA-N 494.035 5.303 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755732 OBTJEZGTWRMFGU-HSZRJFAPSA-N 473.539 5.004 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(C)cc2Br)CC1 1830806764 VXXKMYVYWDKARN-HSZRJFAPSA-N 491.445 5.324 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2ccncc2)CC1)c1ccccc1 1831102314 VKSXPAFZMQGMDB-GHPJVDHGSA-N 485.672 5.077 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831290846 NLRFFBLGOBXYJK-OAQYLSRUSA-N 464.984 5.203 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1832030640 WJCLWVYAWDEGQE-QHCPKHFHSA-N 477.020 5.305 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4n3C)CC2)c1 1832631379 DFVMDMQEODFOHG-JIPXPUAJSA-N 482.628 5.352 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1832632431 QELFXIXMKIDZPE-GVCORALISA-N 489.582 5.465 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)c1 1832633256 FEQLOSYICAUOGV-IDISGSTGSA-N 473.617 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1835683202 RDTKRUAMSDYKPF-DEOSSOPVSA-N 499.655 5.540 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1835816124 VJRMEERFZJRCPW-JWQCQUIFSA-N 486.100 5.008 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172835 OMZFWYSRYKCMBI-UHFFFAOYSA-O 497.631 7.147 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179757 FTTMWTWZGIMISS-UHFFFAOYSA-O 483.560 5.372 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccc(C)c(F)c1 11082765 TXRICWYJSRNDHW-UHFFFAOYSA-O 472.403 5.797 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(Cc3ccccc3)n2-c2ccccc2)sc2c1CCC2 12106166 QRAXJYJQNKFUNU-UHFFFAOYSA-N 485.638 5.401 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)nnc1C1CC1 18406050 YJLQSDAYXCOUFT-UHFFFAOYSA-N 465.648 5.002 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1C 22735483 HECPCSHZISVFDA-UHFFFAOYSA-O 457.663 5.549 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1ccc(Oc2ccccc2)cc1 23603875 KDPMGMOBBAJZLK-UHFFFAOYSA-O 470.618 6.325 30 20 JKED C=CCn1c(SC[C@@H](O)COCc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 24096066 UXBGJNGXZWIXEC-IBGZPJMESA-N 494.842 5.217 30 20 JKED CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc2OC)cc1 25438873 OFGMGHAVDWEWKZ-UHFFFAOYSA-N 477.586 5.112 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C#N 28491134 PPQIMXQGKUHHOU-JTQLQIEISA-N 450.347 5.043 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 32057807 LYAURQJHZWPRID-UHFFFAOYSA-N 453.523 5.703 30 20 JKED C[C@@H](CC(=O)[C@@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(C(F)(F)F)cc1 195652758 AZVSFYOQOZJQHK-BLLLJJGKSA-N 459.493 5.252 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 195691675 URLXFLYHOUDGHZ-UHFFFAOYSA-N 485.385 5.375 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 303045520 UDXHLWPHIIJAMO-UHFFFAOYSA-N 483.637 5.158 30 20 JKED Cc1ccc(-n2ncc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2C2CC2)cc1Cl 303239922 IXKDOMHJVVUSHS-UHFFFAOYSA-N 460.965 5.267 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@@H](c3ccccc3F)C2)nnc1-c1ccc(Cl)cc1Cl 410310244 WCDKUPGTPGVNPC-OAHLLOKOSA-N 491.419 5.685 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3nnco3)cc2)nnc1-c1ccc(Cl)cc1Cl 481921468 PFRUBJIFRRAIFM-UHFFFAOYSA-N 487.372 5.219 30 20 JKED O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 482386920 BHNOKAOXNMTCBJ-UHFFFAOYSA-N 467.291 6.181 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 499542459 DONIVPYAQAKLIA-UHFFFAOYSA-N 470.573 5.135 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](c2ccccc2Cl)C(C)C)cc1 502321983 XRNSSSLMYNNCBO-OAQYLSRUSA-N 450.004 5.008 30 20 JKED CCCCCC(=O)Nc1ccc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cc1 502818545 RLMUBMPBDRSSTP-UHFFFAOYSA-N 480.362 5.037 30 20 JKED COc1ccc(CC2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 506645644 ZJXMAILMJAUILD-UHFFFAOYSA-N 469.585 5.827 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Cl 510009187 FNOVJFLQMLJQFO-RDPSFJRHSA-N 472.976 5.878 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 511067498 ZOJXAQWMLSRIIS-UHFFFAOYSA-N 454.574 5.598 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 511467228 WTNXVZTWAAFULI-UHFFFAOYSA-N 494.954 6.056 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1Cl 515325461 KUBVJHLIHJUWSW-GOSISDBHSA-N 473.429 5.204 30 20 JKED C[C@@H](c1ccccc1)n1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccccc1 515572640 QEMGVZXEBWVXOI-FQEVSTJZSA-N 453.571 5.203 30 20 JKED N#C[C@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1ccc(OCc2ccccc2)cc1 517849690 ZHRYFRNPMLWESW-QHCPKHFHSA-N 457.917 5.227 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 518507911 UXFZQWNPIUAECN-AWEZNQCLSA-N 484.368 5.258 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 518668405 AOJIZWSSYMDGFF-UHFFFAOYSA-N 478.496 5.474 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2cc(Br)cs2)n1 519874383 IRRYXLHIEPUJAC-UHFFFAOYSA-N 458.406 5.263 30 20 JKED CC(C)OCc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 520406308 WYXISBHQSSJRIF-UHFFFAOYSA-N 459.571 5.466 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1Cl 521475032 NKEKKAXTTNZOLB-IBGZPJMESA-N 481.968 6.314 30 20 JKED N#Cc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1 522111279 DXAHAYFLFFVSLE-UHFFFAOYSA-N 479.392 6.273 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)cc1OC 523558814 RPFDIFWYKZMMJK-JOCHJYFZSA-N 474.557 5.375 30 20 JKED N#CCCCOc1cccnc1NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 524276114 VBOUQBKLLQJXHL-UHFFFAOYSA-N 491.598 5.013 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc(-c2cccnc2)no1 552282612 YAPXOJFUKGEFEM-GMAHTHKFSA-N 486.963 5.959 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)N[C@](C)(C#N)C4CC4)o3)c3ccccc3n2)cc1 603597236 ABTQIDHKJWMHCP-AREMUKBSSA-N 469.570 5.161 30 20 JKED C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1=O 603672805 SLSRHPXFSZZNMG-BEFAXECRSA-N 498.530 5.173 30 20 JKED CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603765895 CCIOGDFQFIXDEO-BVAGGSTKSA-N 459.977 5.317 30 20 JKED C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 603961640 QFJPXRUJCFAVFV-RTBURBONSA-N 457.530 5.101 30 20 JKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1 604003165 GZRMXGDFCZEHRN-UHFFFAOYSA-N 456.571 5.377 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1c(C(=O)OC)sc2ccccc12 608845701 XLQHXJFGNHGMCD-UHFFFAOYSA-N 469.563 5.476 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(N2CCC(C)CC2)nc1 609078835 AFAZHXDYQKKQNE-UHFFFAOYSA-N 469.589 5.399 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 609087402 NJDDMIMGUDKYGG-UHFFFAOYSA-N 488.906 5.288 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(C(F)(F)F)c1 609089521 OXJDZUSZNBCCJH-KRWDZBQOSA-N 469.410 5.021 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)CC1 609123808 IAXMRYSGBPBOGB-UHFFFAOYSA-N 498.518 5.257 30 20 JKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1 609205329 NZXBHMOQKQLCCA-UHFFFAOYSA-N 483.494 5.455 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 609208717 CAZGXKDCKBMCHK-UHFFFAOYSA-N 455.301 5.418 30 20 JKED COc1cc(C(=O)Nc2ccccc2SCCC#N)ccc1OCc1ccc(Br)cc1 609375353 LMLVNHOGAIUTFU-UHFFFAOYSA-N 497.414 6.295 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1cccc(Br)c1 609387533 MTZSVDDZHFASGY-HNNXBMFYSA-N 465.438 5.452 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 611829252 QLHPCOZFLVETEV-NHAGDIPZSA-N 495.464 5.952 30 20 JKED C=CCN(C(=O)c1cnn(Cc2ccccc2Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 613267197 HDFVUJXXSZYVGW-UHFFFAOYSA-N 479.949 5.449 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)sc2nc3n(c(=O)c12)CCC3 613393593 QXZYOXWEUTUFMF-WUDODZEJSA-N 490.654 5.127 30 20 JKED CCOc1c(F)cccc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518250 YZUBEIRRHLQYBM-KRWDZBQOSA-N 465.365 5.476 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1Cl 641236784 YDHCATYGUDHUBR-UHFFFAOYSA-N 483.371 5.467 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 645079415 ZNHJZALZWAQQGN-INIZCTEOSA-N 470.982 5.018 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](c2ccccc2)C2CC2)cn1 726114776 YXKDNJQVPVRNPK-VWNXMTODSA-N 491.592 5.154 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726229066 DLFXMMLYIFDTKT-ZBLYBZFDSA-N 481.600 5.481 30 20 JKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1csc(-c2cc(Br)cs2)n1 726364974 UYOZNUGEQYDPFC-UHFFFAOYSA-N 486.372 5.290 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@H](C)OC)cc1 726395158 XZMBVERXXAJPQL-CVDCTZTESA-N 483.634 5.087 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H]1CCc2c(Cl)cccc21)c1cccs1 726415729 KSTHRSNDGUQVMP-ZQOTXJRKSA-N 474.051 5.119 30 20 JKED Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(-c2ccccc2)cc1 726570947 AMUHQCWHGVBUPZ-UHFFFAOYSA-O 499.015 6.504 30 20 JKED CCOc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726626467 GXGXFAWHYAQJET-IUXPMGMMSA-N 465.383 5.678 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C\c3csc(N(C(C)=O)c4ccc(C)cc4)n3)SC2=S)c1 726627445 QIKRXFCPLMFHCI-FYJGNVAPSA-N 475.620 5.523 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1I 728148163 WDDLAYDUMKSTKX-GOSISDBHSA-N 496.304 5.353 30 20 JKED N#Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(Cl)cc2Cl)ccc1F 728191982 BASKOWWTMRNJBF-UHFFFAOYSA-N 498.750 5.711 30 20 JKED Cc1cc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c(C)n1-c1ccc(C#N)cc1 728264682 CXEOVMHOJNQTOG-IBGZPJMESA-N 492.505 5.047 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1ccccc1Oc1cccnc1 728325968 AABJGWGOKCELGH-UHFFFAOYSA-N 483.318 5.029 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(SC)cc1 728390412 KOZVAAUUJBQYCG-DNQXCXABSA-N 459.571 5.490 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C#N 728780171 OSRQOIDXCWTHKW-FQEVSTJZSA-N 499.518 5.231 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2F)c1 729818089 GBZICIDSCPCQRT-HSZRJFAPSA-N 490.535 5.305 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(Cl)cc1 730493853 WJSANEOGTZJMCU-QGZVFWFLSA-N 499.992 5.261 30 20 JKED C#CCOc1cccc(NC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 730978249 YYWHPOMCRLNATQ-INIZCTEOSA-N 475.595 5.336 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 731064234 UXUIWGHYSRDCTJ-KRWDZBQOSA-N 487.606 6.153 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCn1c2ccccc2c2ccccc21 731072576 MTEORYSXGABBKT-LJQANCHMSA-N 471.582 5.761 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 731079058 ARDJDUHGECYPBZ-UONOGXRCSA-N 467.374 5.194 30 20 JKED CC(C)(C)n1cc(C(=O)OCC(=O)Nc2ccccc2SCC#N)c(-c2ccccc2Cl)n1 731088752 SEUGWIANYKLFGA-UHFFFAOYSA-N 482.993 5.370 30 20 JKED COc1cccc(C2(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCC2)c1 731261125 QLIVKUWZJCORIB-SFHVURJKSA-N 452.576 5.083 30 20 JKED C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 731340130 JZBDJXIQTXZDEJ-CQSZACIVSA-N 450.532 5.411 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cccc(OCc3ccccc3Cl)c2)c(OC)c1 744809873 AMZBEYZJQXZEEM-UHFFFAOYSA-N 480.977 5.366 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(C3CC3)C2=O)c(OC)c1 745989677 ZAOVNPMEJGDBSP-HXUWFJFHSA-N 488.009 5.097 30 20 JKED C=C(C)COc1cc(/C=C(\Cl)c2nc(O)c3c(C)c(C(=O)OC)sc3n2)ccc1OC 747063327 HPFKZTXJZKEVAL-ZSOIEALJSA-N 460.939 5.192 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1 747295577 VXFUREOGMISLHI-HHHXNRCGSA-N 471.564 6.062 30 20 JKED C=CCc1cc(CNC(=O)c2ccccc2CSc2nc(C)cs2)cc(OC)c1OC 747684796 LBKPGWAGMSHYEC-UHFFFAOYSA-N 454.617 5.420 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(CC(F)(F)F)C1=O 799220212 IGUDRSQXMPIQOV-LJQANCHMSA-N 495.523 5.007 30 20 JKED Cc1ccc(-c2n[nH]cc2C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1 812456440 FITOWHYJDBKXSE-UHFFFAOYSA-N 459.362 5.033 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)c1 837301758 HKLUFHLJRPAGPA-NRFANRHFSA-N 467.591 5.665 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N([C@H](C)c3cccnc3)C2=O)c1 837454405 BXVHMQYDDRNZRA-NTKDMRAZSA-N 488.613 5.429 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)CCc2ccco2)C1=O 837739156 AXZXJPATDCAJLG-UZUQRXQVSA-N 495.576 5.409 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1F 838485072 BIPYHSGMQUQICO-QFIPXVFZSA-N 481.524 5.134 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@@H](C)c2ccccn2)C1=O 838534260 MDLACPBDRJOTQU-NYHFZMIOSA-N 496.539 5.090 30 20 JKED CCOc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(F)cc3)=C2C)cc1 839946855 BKGQNLGTASHEEP-RUZDIDTESA-N 486.572 5.445 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(COc3ccccc3)cs2)cc1 884001482 QDKZCIBLSGOUSQ-UHFFFAOYSA-N 457.580 6.138 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)[C@H](C)c1ccc(C#N)cc1 914509137 DEQNSBRILGZTQL-GOSISDBHSA-N 482.005 5.260 30 20 JKED Cc1csc([C@H](C#N)C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)n1 915100145 JTOXECRREWMQGO-UKRRQHHQSA-N 466.613 5.327 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915101017 AICDIBQIDCHYLH-ZQQXLHKVSA-N 476.001 5.592 30 20 JKED N#C[C@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc2cc(C(F)(F)F)ccc2s1 915104857 NODHGBGITJVDBQ-MRXNPFEDSA-N 485.443 5.416 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c(OC)c1 915352715 JSMSXBYKGMVHMH-RUZDIDTESA-N 485.584 5.779 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(COc2ccccc2Cl)n(-c2ccccc2)c1=S 915795771 MNRMMAVINNZTDJ-UHFFFAOYSA-N 491.020 5.404 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2cccc(OCc3ccccn3)c2)cc1 915955778 JQQWAFJLFSKNMJ-UHFFFAOYSA-N 459.575 5.125 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1ccccn1 916216055 ODRBIQBRONOYDD-VWLOTQADSA-N 480.593 5.704 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1F 916217620 RNYMMDAWTAKJOB-QGZVFWFLSA-N 452.338 5.255 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2s1 916847244 AWKHMMKAKISFMJ-IBGZPJMESA-N 490.382 5.730 30 20 JKED N#CC1(c2ccccc2)C/C(=C/c2csc([N+](=O)[O-])c2)C(=O)/C(=C/c2csc([N+](=O)[O-])c2)C1 917144324 GAIXNASGVUOSCT-MRQPLPDMSA-N 477.523 5.917 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(F)c(Br)c2)cs1 917560002 PLQDFOLVBWPNSX-WEVVVXLNSA-N 479.758 6.279 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(OCCC(C)C)cc2)cs1 917563942 SZJGZXBAKCBNBC-JYRVWZFOSA-N 469.006 6.802 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)c1OC 917668878 JKLOLTJSFCJGDU-HSZRJFAPSA-N 489.597 5.173 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 918444312 PUORNKXWAFVZIQ-JOCHJYFZSA-N 468.944 5.000 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1C 919054943 FHTKUYGWUHCKGN-UHFFFAOYSA-N 465.937 5.035 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)NC3CCCCC3)cc12 919667325 UYINFDSANQITTR-GOSISDBHSA-N 489.428 5.533 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1ccccc1C 920142277 UOYHOQLUDMZHOR-FQEVSTJZSA-N 484.610 5.237 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(F)c(F)c1 920356559 QEWJXIIPPCDBKK-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CCOc1cc(C=NN[C@@H](C)c2ccccc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 920385813 HQRSUPBAENLANH-SFHVURJKSA-N 477.517 5.124 30 20 JKED COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 920459332 UKSGJTXMGHVSJY-UHFFFAOYSA-N 464.481 5.259 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)c1 1785787731 IXNPPHDTSPRXRY-MRXNPFEDSA-N 493.394 6.077 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1786164050 XJYWFCOXMJTADX-UHFFFAOYSA-N 496.007 5.471 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)CCC2)cc1 1786364593 RVSKSVHQOSMZIG-UHFFFAOYSA-N 487.600 5.421 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](c3ccc(Cl)cc3)N(C)C)CCC2)cc1 1786367423 NNWLLONJTCPRME-VWLOTQADSA-N 484.040 5.060 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5occc45)CCC3)cc2)c(O)n1 1787173267 CPAKMVWXKBFHPR-UHFFFAOYSA-N 482.540 5.109 30 20 JKED C/C(=C\c1cccnc1)C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788648610 OXNOMRFGFNIPFN-QFJHZUDSSA-N 471.582 5.120 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789116605 HHBBNMUVFIQMBM-ZXYASIKESA-N 458.558 5.153 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C(F)(F)F)CC4)cc3)CCC2)c(C(F)(F)F)n1 1789194637 CXLZHIPANHKMMB-UHFFFAOYSA-N 496.411 5.062 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4nc3C)cc2)CCC1 1789246676 ONHBYEJGZGOTAY-UHFFFAOYSA-N 456.590 5.678 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4n[nH]cc34)CCC2)cc1 1789451955 XGPBTAIKTBICNS-SFHVURJKSA-N 463.969 5.127 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3oc(C)nc3C)CCC2)cc1)c1ccccc1 1789600120 AOIZWIMYODOKES-DEOSSOPVSA-N 455.558 5.236 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccncc4-c4ccccc4)cc3)CCC2)cc1 1789932250 FEHZPGJMLGQLLQ-UHFFFAOYSA-N 486.575 5.611 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)CCC3)cc2)c1 1790074136 DTVDHWUEDXXDJL-KKUQBAQOSA-N 495.604 5.202 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)CCC3)cc2)c1 1790074141 DTVDHWUEDXXDJL-ZNZIZOMTSA-N 495.604 5.202 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccc(Cl)c(F)c4)CCC3)cc2)cc1 1790287048 XNTUHOUSARUAKH-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC1 1790292213 PDXYSZFKSSURAU-QFIPXVFZSA-N 481.568 5.043 30 20 JKED COc1ccc2[nH]cc(/C=C/C(=O)Nc3ccc(C4(NC(=O)[C@H](C)ON=C(C)C)CCC4)cc3)c2c1 1790563753 QGSJDKWKJJWKFO-HBYKMFCXSA-N 488.588 5.125 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C(F)(F)F)cn3)CCC2)cc1 1791243465 ODRKBQFEAWDBTH-KRWDZBQOSA-N 459.512 5.379 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)CCC2)cc1 1791300631 SVFGOLMFHCGSCG-UHFFFAOYSA-N 464.553 5.090 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)CCC2)cc1 1791584035 KHKNGRIUYAQALD-UHFFFAOYSA-N 468.479 5.133 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC(F)(F)F)c(F)c3)CCC2)cc1 1791593118 GQRXWMNKTSBJBT-UHFFFAOYSA-N 450.432 5.091 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/C(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1792061084 OGKLWAYETHYTGG-NCSHYYEOSA-N 469.626 5.192 30 20 JKED Cc1nc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cs1 1792123096 IHAVQYHSSFHVHK-KRWDZBQOSA-N 458.587 5.069 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cc(F)ccc4F)cc3)CCC2)cc1 1792228028 CDPKZCQCFZLVKO-UHFFFAOYSA-N 459.496 5.021 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1 1797280452 OJKJDDGSDHUAAP-NUNAXRQHSA-N 451.570 5.120 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(C)c1F)C2 1798593136 UEBNSRJMGSKFKF-BJWYYQGGSA-N 465.407 5.141 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccccc4)cc2)C3)cc1 1800543097 HHSVTSZPPVLRRR-QEIWAGNOSA-N 465.553 5.111 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)cc1 1800691468 BARXCCGEIBZPCO-VILGAWFOSA-N 487.003 5.185 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C(F)(F)F)c(F)c4Cl)CC3)C2)C1 1804782229 IKOVVOUKHUWXPH-UHFFFAOYSA-N 472.910 5.309 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)cc2c1 1809150038 GGFJRDUYRYYKPN-FNZWTVRRSA-N 497.986 5.030 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4cccc(F)c4s3)[C@@H]2c2cccnc2)c1 1809203666 FTYJNWTZSAQOOO-BWKNWUBXSA-N 498.583 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC)cc2Cl)[C@H]1c1cccnc1 1810503441 PTZYELYZMUUOIV-CVDCTZTESA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1811253867 JMSBXRQNHGTYSB-HYBUGGRVSA-N 484.040 5.446 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1811821957 NRXBSQFHPWLEGY-SIKLNZKXSA-N 474.432 5.700 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1812370942 UHBBCONFOUGJOA-QPPBQGQZSA-N 482.694 5.583 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cccc(Cc4cccc(F)c4)c3)[C@@H]2c2cccnc2)C1 1814010403 MPBKJQPUOJZUBQ-LSYYVWMOSA-N 483.587 5.097 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)c2[nH]1 1814379825 VGGUWXHRPJGLQP-DEOSSOPVSA-N 480.572 5.010 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)cc12 1814380140 BJGHONKLJMCHDX-RUZDIDTESA-N 480.572 5.010 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1814829443 PZYXTWOLZSFBJP-KRWDZBQOSA-N 450.461 5.096 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccccc3Cl)n[nH]2)c1 1816905763 BBNAPZOJODAYLK-UZUQRXQVSA-N 475.980 5.239 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)n2)[nH]n1 1819555435 GOKUJJXCAUANBY-QGZVFWFLSA-N 463.504 5.122 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1)C(F)(F)F 1820101260 QINYTSJWSCBHBK-KRWDZBQOSA-N 487.507 5.302 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)c1 1820589407 HVMQWJBTBKDLGP-KSFYIVLOSA-N 495.505 5.675 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@](C)(OC)c2cccc3ccccc23)n[nH]1 1820705195 WIWGWYDVRYPTKR-BKMJKUGQSA-N 496.558 5.328 30 20 JKED Cc1cc(F)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1821063070 IECQNUCXFPMLIL-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821242595 JWBSQUDICHPCKT-GHTZIAJQSA-N 496.409 5.118 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)(C)C)cc3)[nH]n2)c1 1821325747 OJPDVYQCAOPMEY-DEOSSOPVSA-N 485.588 5.387 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cncc(-c3ccccc3C=O)c2)n[nH]1 1821727148 SHFOMSRKYURNLR-VWLOTQADSA-N 499.615 5.583 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1821921401 UKBAZJQJAYPRSW-WMZHIEFXSA-N 457.578 5.298 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1)C(F)(F)F 1821989095 CPDJJRUNJNNBTN-MRXNPFEDSA-N 452.477 5.033 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1822582578 MSYZFPKBHAVRLM-HXUWFJFHSA-N 474.964 5.100 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[nH]n1 1822583266 KXNGGBOSOIPPQI-VWPQPMDRSA-N 497.437 5.162 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(N(C)C)cc3)n[nH]2)c1 1822615396 NXVOFBGIAHCIDR-FNZWTVRRSA-N 498.631 5.041 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c1 1823218577 SXXJNDCPJYLVLK-NYHFZMIOSA-N 479.943 5.449 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)C1 1823699821 DMXANKSRQDUVPR-QFIPXVFZSA-N 454.014 5.329 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 1823751249 NTIHYXSICYHZNP-SANMLTNESA-N 463.666 5.333 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1823752433 SGMBXBDTOCLDSI-RDPSFJRHSA-N 456.593 5.516 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1 1824421849 JQNHISGPCGJDLP-JKSUJKDBSA-N 490.585 5.069 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1825951410 OIRWQDIVVYPERC-DEOSSOPVSA-N 461.606 5.304 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1827531049 SMTFRBWGCLLEFH-UPVQGACJSA-N 497.083 5.552 30 20 JKED Cc1cc2[nH]c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)cc2s1 1827699519 AALQOJUBPICPNL-CXAGYDPISA-N 489.626 5.161 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828150909 YDYVXFLBIYHZLM-XMMPIXPASA-N 472.029 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)CC1 1828826332 BSSORKWXNQXLJN-FHEVRMFISA-N 464.675 5.262 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1828829226 FZQQRCZIDWKRON-FTJBHMTQSA-N 477.649 5.347 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cccnc3n2)CC1)c1ccccc1 1829032249 LDBQLOSNKYQFNO-IAPPQJPRSA-N 494.639 5.060 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nc(CC)c2)CC1)c1ccccc1 1829032817 RBMOSGNJCWEKJD-FQLXRVMXSA-N 485.672 5.383 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)cc1 1829892681 GPDLICBRWDYVFT-RUZDIDTESA-N 464.009 5.078 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1830632240 GPMFLZAYYPCOFU-NDEPHWFRSA-N 498.671 5.290 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830662201 MTCLFKCTLQSLGN-QHCPKHFHSA-N 495.035 5.094 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1830677982 BOKBACPNJOCPQW-AOYPEHQESA-N 460.622 5.078 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830755427 FJEYRBORQCAJCP-RUZDIDTESA-N 497.561 5.362 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830807452 YXUVOAHRGGNDDE-VWLOTQADSA-N 465.544 5.169 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830979297 GQLVHTAQMZXQCH-NLFFAJNJSA-N 473.617 5.873 30 20 JKED Cc1cccc2c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)n[nH]c12 1831006374 MQVCXZYXKWBZBQ-DEOSSOPVSA-N 492.740 5.156 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccccc2Br)CC1 1831375819 DRLVTSDBRHLPHT-SIKLNZKXSA-N 491.470 5.050 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c(Cl)c1 1831787700 WAGSGZCXGJWWAJ-GSLIJJQTSA-N 476.020 5.249 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)CC1 1831852235 XEIWKRBLPOPXLF-RUZDIDTESA-N 495.664 5.379 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1 1832023801 JUKSYGOPRBEVFX-SKOFVLAMSA-N 469.629 5.351 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1832623556 MKLGJCYNFRBLOT-BCHFMIIMSA-N 479.571 5.447 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1F 1832634010 QLYJBRSHQQCQMP-IBVKSMDESA-N 461.581 5.308 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccs3)CC2)c1 1832635124 VARJHVDMHCQEMK-NBGIEHNGSA-N 463.647 5.241 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]3C)CC2)cc1C#N 1832703079 AVPAQOJAXGBCBM-NIJXNBFTSA-N 465.638 5.015 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)/C=C/Sc3ccc(C)cc3)CC2)CC1 1833079420 JEPRLIJUCBUFAB-RCCKNPSSSA-N 483.722 5.165 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CC1 1836697306 FMMKTMPSWNVVLR-UHFFFAOYSA-N 497.438 5.513 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C)o1 1847905190 UKJIZFVNVQPTSY-FKBYEOEOSA-N 489.657 5.047 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 10172551 BEMZLKMBGOXDPI-UHFFFAOYSA-O 487.595 6.511 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nc2sccc2c1=O 16621566 HGYGAAHKUUFZBH-UHFFFAOYSA-N 481.647 5.170 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(Cl)cc1 21608784 LRLQJTBTXFLTEL-CYBMUJFWSA-N 463.390 5.566 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 22728706 YRQJYYNCMBFRAU-UHFFFAOYSA-O 465.708 7.422 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccoc1C 23519363 LFNRLPARKVHYKL-LJQANCHMSA-N 458.587 5.743 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(Br)c2)cc1 23604638 LLWIQAKFDKMWPF-UHFFFAOYSA-O 499.498 6.636 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 23998678 OOWQDHCBWMXIJM-SFHVURJKSA-N 477.634 5.216 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)ccc2c1=O 29701758 QHSRZZMEZLSGNZ-HSZRJFAPSA-N 453.567 5.033 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C(C)C)c1 36821087 NJRGPNKRZJYXDF-UHFFFAOYSA-N 468.648 5.312 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(C3CC3)no2)nc2scc(-c3ccc(C)cc3)c2c1=O 59405114 PDJUTZRLSUTPAY-AWEZNQCLSA-N 450.589 5.733 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 60347583 PEBKIKIDKNJZMC-UHFFFAOYSA-N 464.481 5.259 30 20 JKED CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1 107932791 CGXNEZIHRTWCKR-UHFFFAOYSA-N 497.642 5.317 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3c4c(nc5ccccc35)/C(=C\c3cccs3)CC4)CC2)nc1 115660690 VPBUXNOFZXSRRO-SILNSSARSA-N 477.593 5.012 30 20 JKED Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1ccc(COc2ccccc2C#N)o1 303247149 AKWFLOWLLDGPRQ-UHFFFAOYSA-N 454.530 5.774 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1 409523427 TUPQSBIBILAUAC-HNNXBMFYSA-N 465.363 5.454 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CC1 478939487 ZDYUGNCHEZLCDF-UHFFFAOYSA-N 466.560 5.517 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1occc1CN1c2ccccc2C[C@H]1C 482841332 NMRQVDDLJJMQDO-LJQANCHMSA-N 464.525 5.851 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(Nc2cccc(NC(C)=O)c2)s1 497318455 JLNRDJXZGRUCRQ-UHFFFAOYSA-N 471.633 5.249 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C(F)(F)F)c1 499592290 AKHWVNNJZASWJF-HNNXBMFYSA-N 484.565 5.926 30 20 JKED CC(C)c1c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cnn1-c1ccc(Cl)cc1 501705297 IAQVIPLUMGSHGF-UHFFFAOYSA-N 475.980 5.012 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1)c1ccccc1 502619765 VXOWMUFOOZSDGK-MHZLTWQESA-N 482.584 5.657 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 508257206 GPDGARAVYPGYFF-DEOSSOPVSA-N 471.492 5.143 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)nn1-c1c(Cl)cccc1Cl 510369522 ORYIRYDRBQUNAH-ZDUSSCGKSA-N 453.333 5.074 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccnc1OCC(F)(F)F 510722548 XNOPSFSQGHZLHF-UHFFFAOYSA-N 456.424 5.317 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NCC3(c4ccc(Cl)cc4Cl)CCOCC3)CC2)c1 511261148 WFVHNLWZEYWDQW-UHFFFAOYSA-N 488.415 5.166 30 20 JKED COc1cc(Br)cc(C)c1NC(=O)c1cccc(OCc2ccccc2C#N)c1 512332806 BZLQVYRYZHKWIG-UHFFFAOYSA-N 451.320 5.469 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CSc3nnnn3C)c2C#N)C(C)(C)C1 512703441 FBPALOCPORWTRS-WAYWQWQTSA-N 482.660 5.022 30 20 JKED CN(Cc1csc(Br)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 513564535 XIAMVZPDKFICBY-UHFFFAOYSA-N 480.438 5.190 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccccc2OCc2ccc(Br)cc2)nc2ccccc21 513647360 HDYCXSDFRZRPOZ-IBGZPJMESA-N 460.331 5.405 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 513667452 TZUMXHHYSCBMJM-GOSISDBHSA-N 461.568 5.406 30 20 JKED Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)s1 515959926 HKGMQFSKSVTYLJ-UHFFFAOYSA-N 496.592 5.326 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)o2)c(C)c1 516712639 NOMJDHFLMRHOLA-SFHVURJKSA-N 473.554 5.555 30 20 JKED C=CCn1c(SCC(=O)Nc2ccn(Cc3ccccc3)n2)nnc1-c1ccc(Cl)cc1Cl 520016757 BTRSKNALVMYOJY-UHFFFAOYSA-N 499.427 5.414 30 20 JKED C=CCOc1ccc(CN[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1Cl 520948116 VVTWEZMOSQYIDE-GOSISDBHSA-N 452.957 6.076 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521312585 CGOYZHLQORTEGG-SANMLTNESA-N 453.542 5.289 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)c2)cc1 521524340 JVGDUCYOFBHSCT-HSZRJFAPSA-N 492.000 5.277 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 523054369 TXIYWYCIJASMAO-UHFFFAOYSA-N 479.521 5.678 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 523876510 KFJBEEZVKJYUPU-UHFFFAOYSA-N 498.602 6.128 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1 561310160 BNURRQHMLYTIGX-UHFFFAOYSA-N 483.391 5.238 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OCc2ccncc2)cc1 563986613 ULUDUJYOXJEFTQ-UHFFFAOYSA-N 457.477 5.937 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)c1C 603846473 BXVKBTZWEBXSKJ-QGZVFWFLSA-N 464.934 5.111 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 603977215 YKWHVQFXDZDYRG-KDURUIRLSA-N 471.557 5.409 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 604562213 PIAACYCSDZBQPU-WXVAWEFUSA-N 471.557 5.991 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccnc(Oc2ccccc2)c1 609078828 ABBXRTPOXYKCCB-UHFFFAOYSA-N 464.525 5.955 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)cc1Cl 609163861 BDQCIDOKWZSMQZ-PMACEKPBSA-N 465.887 5.265 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 609206841 HGXBYVJERKFSOC-UHFFFAOYSA-N 475.593 5.287 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 609434162 YZRZDWYLQHIRLS-UHFFFAOYSA-N 469.319 5.253 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)cc2)c1 609437119 QDVQIWRLZBBSEO-UHFFFAOYSA-N 486.535 5.920 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 613319837 MFNCFFZIWYWSSE-INIZCTEOSA-N 472.879 6.158 30 20 JKED O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300973 IARSTJAINKLYOD-CHWSQXEVSA-N 490.391 5.961 30 20 JKED Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n(-c2ccc(C(F)(F)F)cn2)n1 618541745 GOXPTSMVFTVHRC-TXEJJXNPSA-N 489.342 5.189 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2Br)no1 620847324 VHWYWIQJZZLZRW-HNNXBMFYSA-N 480.240 5.228 30 20 JKED C=CCOc1c(Cl)cc(CNc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)cc1OC 630069411 WSOQTSJNKZLNRI-UHFFFAOYSA-N 451.394 6.097 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1SCc1nnnn1-c1ccccc1 640549027 ZYNAMBLLQLKLMX-UHFFFAOYSA-N 488.576 5.002 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642158385 RDQIUIAMXMEVOC-IMRBUKKESA-N 454.411 5.897 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 642252186 USJJYQGOJPDBDY-VWLOTQADSA-N 454.599 5.835 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1 726321804 NHZYHBMEWPSHHU-GOSISDBHSA-N 459.552 5.390 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 726400182 OWOWTHDXOOSEJC-FZKQIMNGSA-N 498.407 5.518 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CC1)c1cccs1 726420823 JJNYBFOGNNFINL-FSBAEXNWSA-N 478.437 5.063 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC(F)(F)F)c1cccs1 726421651 RIEATGQUGJMTQN-POOWZPKTSA-N 491.560 5.853 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2ccc(Cc3ccccc3)cc2)c1 726572460 GOQVPZFPSNSWLJ-UHFFFAOYSA-O 487.604 6.616 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CCCCC#N)C2=O)cc1 728778699 FKWYSIBVLCWVHS-RUZDIDTESA-N 499.640 5.560 30 20 JKED C[C@@H](CC#N)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1 728873961 GRUPHNVDJAFJDC-SFHVURJKSA-N 499.995 5.249 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ncccc2C)c1 729634548 NWJSMZQZGAIEMW-XMMPIXPASA-N 483.597 5.039 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C1CCC1 730461220 MYRSFYZDJRJDPQ-HSZRJFAPSA-N 459.571 5.361 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 730683714 JSUWYCASDXTEBB-JPYJTQIMSA-N 466.566 5.281 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730719911 KVBJFOYPOMPILI-QFIPXVFZSA-N 490.972 5.642 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2ccccc2c1 730724536 NNKPLVDUMNBZSU-HXUWFJFHSA-N 487.610 5.160 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2ccccc2Br)n1C 730990094 RXVBMQLFWDIFAQ-HNNXBMFYSA-N 454.393 5.959 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)ccc2C)c1 731306786 DCZSQJUCJIPXKJ-XMMPIXPASA-N 489.597 5.178 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(F)cc1)c1cccs1 731311838 IAHZGMJTEVEOKU-IXJUYMRMSA-N 483.590 5.183 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731313265 VPAKZSYFBGSCGO-HSZRJFAPSA-N 472.570 5.200 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731313380 XARDXJOVUKQZLG-QFIPXVFZSA-N 477.611 5.103 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743449591 RZMSYHUZOWRANC-LBPRGKRZSA-N 450.734 5.731 30 20 JKED COc1cccc(-c2nc(C=Nn3c(S)nnc3COc3cc(C)ccc3C(C)C)cs2)c1 744766988 VNPYBBHAIOKFQK-UHFFFAOYSA-N 479.631 5.592 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(C)cc1 746698161 WFLQIGVLDXQLLL-QFIPXVFZSA-N 453.608 5.080 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 749337566 FXKADWXGGZNQEE-INIZCTEOSA-N 467.234 5.159 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)cc1 799215086 KMKONCVDFGQXOX-GOSISDBHSA-N 485.478 5.611 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCC(=O)N(CCC#N)c1ccccc1 800376616 FGAULAODGCOSGV-UHFFFAOYSA-N 463.537 5.243 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N([C@@H](C)c2ccccn2)C1=O 837832469 POHMFHYQQJAPAF-MBSDFSHPSA-N 474.586 5.120 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(CCc3ccccn3)C2=O)c1 838592730 UHTKIXBUTWCAPF-QHCPKHFHSA-N 494.567 5.180 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1sc2cccc(Cl)c2c1Cl 913328528 PXABIJDZIZDTIE-UHFFFAOYSA-N 451.356 5.619 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(OCc2ccccc2C#N)cc1 915511977 MPXIFQWOAPSISY-OAQYLSRUSA-N 494.551 5.124 30 20 JKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(O)c(CN2CCOCC2)c1 916130611 YPVOHZYLEXYONH-WMZJFQQLSA-N 476.960 5.026 30 20 JKED CCOc1cc(/C=C\C(=O)[C@@H]2C(=O)C=C(C)OC2=O)ccc1OCc1c(Cl)cccc1Cl 916137462 VTZJCIZCYBPJFP-HKPHNFCXSA-N 475.324 5.199 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(C2CCCC2)C1=O 916215362 UDAUNZQNFVUUOU-HSZRJFAPSA-N 481.618 5.387 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C 916216312 SNURKCGFXIZOPT-HSZRJFAPSA-N 461.587 5.145 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1 916896469 IFMZHWKLVCRVOA-SFHVURJKSA-N 458.568 5.106 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCC(C)C 916904590 GTXWEHHWCFPUSW-NRFANRHFSA-N 458.514 5.483 30 20 JKED COc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977132 KWPMWWHTMDAZRZ-GOSISDBHSA-N 481.990 5.021 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995785 HOFFLGSWPOHTDB-QGZVFWFLSA-N 492.815 6.157 30 20 JKED N#C[C@@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917032623 LXYNRLMVFZEQLC-QEEXYULSSA-N 472.614 5.860 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccsc1 917694269 FBRYJMFYCSRWIB-HXUWFJFHSA-N 487.553 5.195 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(COc2ccccc2C#N)o1 919514286 RNUWFISREDDLDF-UHFFFAOYSA-N 460.530 5.773 30 20 JKED N#C[C@@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111139 RODDAVAHHGWKQQ-SFHVURJKSA-N 475.372 6.181 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2ccc3ccccc3c2)C1 1777782636 VEGBQHWUXHZFCK-ZNOAHEKZSA-N 497.639 5.242 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2 1779275710 YFZLOAOAVQPITF-PVTPYKNESA-N 472.629 5.250 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)cc1 1785795061 QLMPVXUYHOKFCD-UHFFFAOYSA-N 465.544 5.450 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4ccccc34)CCC2)cc1 1786365968 AUTJMSDBMCEZDL-UHFFFAOYSA-N 477.992 5.619 30 20 JKED CC(=O)Nc1ccc(Cl)c(C(=O)NC2(c3ccc(NC(=O)[C@H](S)C(C)C)cc3)CCC2)c1 1786395827 JHYAODWXBZJMAK-OAQYLSRUSA-N 474.026 5.001 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CCC2)cc1 1786678852 CLGQWFRBBRIRCW-UHFFFAOYSA-N 487.547 5.854 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccco4)cc3)CCC2)cc(C(F)(F)F)c1 1786914857 JNDJHBJZGMEANI-CMDGGOBGSA-N 479.458 5.631 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454492 ZKIWRWSGDUFBLK-OFNKIYASSA-N 481.637 5.146 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(NC(C)=O)ccc3Cl)CCC2)cc1 1789454887 ISHFXGARESPGCP-QFIPXVFZSA-N 480.008 5.815 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC=CO4)cc3)CCC2)cc(C(F)(F)F)c1 1789504496 NCTDRRMUWBKZQO-NRFANRHFSA-N 469.463 5.017 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cncc(F)c3)CCC2)cc1 1789508841 PMZWANRIPMVXHW-UHFFFAOYSA-N 451.618 5.020 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4ccccc34)CCC2)cc1 1789577513 BJEJRUSIZNFEFK-MUFRIFMGSA-N 486.959 5.348 30 20 JKED CN(C)c1ccc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)c2ccccc12 1789577667 VDUQXSIQLIEWHY-ZCTHSVRISA-N 494.595 5.366 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)Cc3cc4cccnc4cc3F)cc2)CCC1 1790473277 NPFPHFNJJVQPIU-DEOSSOPVSA-N 465.594 5.005 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1 1790519495 DMUPPMAEVDIUSW-FQEVSTJZSA-N 491.579 5.025 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790947134 ZUXSUGQIEUMJOK-MRXNPFEDSA-N 459.571 5.494 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1791300691 AHVSUJDBDRPSIU-UHFFFAOYSA-N 467.516 5.305 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)cn4ccccc34)CCC2)cc1 1791577569 PVHHUZNGHYJWEG-LJQANCHMSA-N 469.610 5.672 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(F)c(F)c(Cl)c3)cc2)CCC1 1792161347 UWPAORFWVBKMNL-XODNFHPESA-N 471.891 5.078 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4Cl)CCC3)cc2)cc1C#N 1792168455 CIOUKEDFLJWIBE-UHFFFAOYSA-N 488.975 5.455 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168762 GOHITISNUVKZMZ-UHFFFAOYSA-N 467.516 5.305 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccsc5n4)CCC3)cc2)cc1C#N 1792168764 VWMHKWSQVQRBLU-UHFFFAOYSA-N 499.596 5.116 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792229650 NSDWVMPCZIEHGN-UHFFFAOYSA-N 454.530 5.092 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(CC(C)C)oc2ccc(OC)cc12 1796430388 XGWGWRSERBMIOJ-HAGHYFMRSA-N 452.595 5.104 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)c1 1799146208 RVGNXZUDABUSAG-NUNAXRQHSA-N 494.620 5.642 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)c1 1799603262 YUIMYUDXAAMUPB-BKFWDETESA-N 471.507 5.069 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1802495472 FOWAJISPTKCVIV-WNCULLNHSA-N 472.633 5.194 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1802495674 CXXOMKMQVOHSCV-AHWVRZQESA-N 470.617 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(Br)s1 1802895067 VQZAGINBTRWGAV-FXVHVQRGSA-N 465.457 5.154 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 1802930920 CAGUITTWNFRDGR-WUEDSLEZSA-N 463.597 5.023 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)COc2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1803422176 DRIDLTBCXMDNGZ-AOYPEHQESA-N 477.649 5.084 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1803986256 QVAMTAUAGCJTEL-LWZIIBGRSA-N 477.571 5.225 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)COc3cccc4ccccc34)CC2)C1 1804860071 VYNJJTGMJIBSRW-UHFFFAOYSA-N 462.634 5.442 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](c3ccccc3)N(CC)CC)CC2)C1 1804866896 TVZMSUQTYUFFKU-VWLOTQADSA-N 467.698 5.293 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809212928 NULWJYQRPFEUML-FDDCHVKYSA-N 466.006 5.073 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3cc(C)[nH]c23)[C@H]1c1cccnc1 1809270028 GCZIDZRTPKDTAX-WIOPSUGQSA-N 458.606 5.183 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c[nH]1 1810274560 KNMNOHFNUGSCKN-GJZUVCINSA-N 492.740 5.078 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc3[nH]ccc3s2)[C@H]1c1cccnc1)c1ccccc1 1810442924 BRNQDOPCWYYAQR-KHVXQDHOSA-N 496.636 5.141 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810942754 BNWSJSGPCCDHKA-UGKGYDQZSA-N 491.529 5.552 30 20 JKED CC(C)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811252202 UJXGNPMGSVFNDH-DGPALRBDSA-N 479.624 5.237 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1811287796 YAKZELNOWPOUND-QFQXNSOFSA-N 484.625 5.062 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811723458 ZPVJWQWKADCYEN-SQJMNOBHSA-N 491.538 5.405 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1812787492 MVRIDTTYQQMUSB-TWVZQSRDSA-N 453.671 5.686 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1813145713 YAGNSCDWLSVQPJ-BTCOZLQPSA-N 493.957 5.215 30 20 JKED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814149299 UBACACGSMUPAJY-LNBJVWSJSA-N 481.706 5.379 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)CC1 1814381645 XWPVTRDJXFQULM-APTRMMRNSA-N 461.610 5.123 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)[nH]n1 1814441667 DVOLZEVYUXVAPV-JOCHJYFZSA-N 474.609 5.202 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)[nH]n1 1814442876 ZRESHNQUDCASHN-QGZVFWFLSA-N 463.504 5.122 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)[nH]n1 1814444145 VHYQIHKZVCUOTH-QHCPKHFHSA-N 477.584 5.324 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)[nH]n1 1814444219 YNEFBYSUCLXFAJ-QFIPXVFZSA-N 482.625 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(F)c(F)c2)[nH]n1 1819301879 URWWEIRDFYSVPG-GCJKJVERSA-N 456.537 5.081 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)[nH]n1 1819305998 ULNMKUIKMBVCSW-NQIIRXRSSA-N 462.550 5.244 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)[nH]n1 1819555959 MJIKGUFLOHAQOY-ILBGXUMGSA-N 479.669 5.477 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1cc3ccccc3o1)CC2 1819599490 GDJQOIHUVVEQBP-FLMNEEFCSA-N 461.587 5.283 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820223086 HHOSDAYLDPYLGG-IBGZPJMESA-N 498.370 5.216 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2n[nH]c3cc(Cl)ccc23)n[nH]1 1820693923 GNKLFYOTUWDGDA-OAQYLSRUSA-N 483.016 5.167 30 20 JKED Cc1cccc(Cl)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1821145183 OAIYCRLSTWJARZ-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(-c3cnco3)c2)n[nH]1 1821186156 OAQUIZNKLRMXAE-OAQYLSRUSA-N 461.566 5.363 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)c1 1821273563 FAMMQVDHXSSECZ-OAQYLSRUSA-N 465.916 5.002 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC3CCC3)[nH]n2)cc(C(F)(F)F)c1 1821308752 DZJQQPBIXMHUGS-HXUWFJFHSA-N 473.499 5.186 30 20 JKED COc1cc(C)c(C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1821343288 OHWZGULEAQOXJQ-QFIPXVFZSA-N 491.979 5.180 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1)C(F)(F)F 1821989534 ZOLGGHRSBYYLHN-SFHVURJKSA-N 484.906 5.033 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)cc1C#N 1822023177 ZTCZXBGUPRAPID-RRZZWSPOSA-N 489.620 5.201 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212526 OXPZJEQHHQOVKF-JLTOFOAXSA-N 499.493 5.577 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc43)[nH]n2)cc1C#N 1823294682 RAFNMEMFMQDWOT-NOZRDPDXSA-N 497.599 5.104 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1824051902 YEFOHIJBPZBNTO-RXYILKCJSA-N 487.644 5.359 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)CC1 1824127096 AYZGEZPWQSUHHI-WUFINQPMSA-N 477.693 5.291 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 1824841213 DYTPCQCCECLXMI-DEOSSOPVSA-N 469.626 5.140 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)CC2 1825257578 QAEYQZGMNBGXJT-HNNXBMFYSA-N 496.539 5.322 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1826321205 OOUOOTYMIJSKJP-RSXGOPAZSA-N 465.544 5.032 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)CC1 1826683489 JIWKWXGJFRAXDI-QPPBQGQZSA-N 493.051 5.165 30 20 JKED Cc1csc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827680936 BAYMPUSMTVUUHM-RCHCNPRSSA-N 484.687 5.109 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827775020 QOSGXUZMQGODLP-IBGZPJMESA-N 454.533 5.524 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)CC1 1827907002 YIWKPUJHDUHJMM-JOCHJYFZSA-N 465.560 5.046 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1)c1ccccc1 1828995440 DKFKPWQBWBXUMG-MGJGVTIWSA-N 477.649 5.148 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)cc2Cl)CC1 1829071599 RHEPUDBDPFEWGR-QHCPKHFHSA-N 461.046 5.574 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829140262 XCKQJQSJTYWCKJ-AZUAARDMSA-N 451.533 5.035 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1 1829775992 UNDWJBVVYCFPER-HHHXNRCGSA-N 482.584 5.226 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)cc1C#N 1829896273 KXBKTCABYFNMSM-RUZDIDTESA-N 494.035 5.546 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)c1 1829955890 WDUHQMQLJRVPPL-DEOSSOPVSA-N 484.625 5.229 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1830014968 MZFJLZMQCVKYDB-MHZLTWQESA-N 478.596 5.167 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)ccc1F 1830360384 FMPQGVUEOKKNBT-KFVWQZTJSA-N 499.586 5.319 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1830718503 KNAGZZOPXXLMFF-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830723365 GDCWDCQQEXLJSE-BCHFMIIMSA-N 489.019 5.386 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)c1 1830768022 WRLVGHDUHZTJST-VWLOTQADSA-N 497.561 5.362 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1831377744 LDORDNFSZHDAQC-CYFREDJKSA-N 456.602 5.060 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 1831444291 JQVMXVCMUPFFAN-DEOSSOPVSA-N 454.561 5.213 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)CC2)cc1 1831781046 AGIUMNPCLVPPOM-HHHXNRCGSA-N 469.629 5.108 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)cc2F)CC1 1832030469 QKQFSDHSHRKDFK-QFIPXVFZSA-N 450.957 5.045 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1832828815 DQZKFJPXMCDQCO-QHCPKHFHSA-N 467.009 5.149 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Br)cs3)CC2)CC1 1838111734 KULAQQBPMRPRNG-UHFFFAOYSA-N 497.499 5.115 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1844252970 FJECMDJSVBWLCI-UHFFFAOYSA-N 497.715 5.474 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)Nc2ccccc2Br)cc1 9073611 QCVPVDQADIYWCO-UHFFFAOYSA-N 481.371 5.409 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 10172862 OLBKIGYFXITALU-UHFFFAOYSA-O 493.599 5.994 30 20 JKED Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccccc2Sc2ccccc2C#N)cs1 11460974 LKGSSFFJKSPCFT-UHFFFAOYSA-N 499.617 6.013 30 20 JKED CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3ccccc3SCC#N)[nH]c(=O)c12 17189270 BNSHXKWEGDREGI-ZDUSSCGKSA-N 472.661 5.228 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccccc1OC 18324804 XRJIJHLQWJQJER-CQSZACIVSA-N 491.598 5.551 30 20 JKED CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2-c2ccccc2F)cc1 21120175 NYFCLFXFHILBTO-QGZVFWFLSA-N 487.560 5.463 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)cc1 22730155 KJWNLVRXPITPCG-UHFFFAOYSA-O 485.585 5.922 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 23604694 WYCVQDJTVILLGX-UHFFFAOYSA-O 462.426 5.343 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)CC2)cc1 23752076 OMJAIIBNOUGYBU-UHFFFAOYSA-N 481.625 5.075 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 23998679 XUTWOMQBFHMFSO-LJQANCHMSA-N 461.635 5.516 30 20 JKED CCOc1ccc([C@@H](CNC(=O)c2ccccc2SCC#N)c2c[nH]c3ccccc23)cc1OC 24393826 WQYCKXMEZXKLOI-JOCHJYFZSA-N 485.609 5.753 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1C#N 26034836 LUVYKCBRQVMWFB-UHFFFAOYSA-N 469.035 5.835 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Br)ccc2Cl)cc1 71981826 PHTONUXXCNVSTQ-UHFFFAOYSA-N 455.739 6.000 30 20 JKED COc1cc(/C=C2\CN(CC3CC3)C/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 96314567 DIIGHKVINQRUDW-QJZPKIEXSA-N 490.383 5.184 30 20 JKED C=CCN(C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 498716977 NIULAQFLQNNEKR-UHFFFAOYSA-N 493.632 6.432 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C 502619835 OCMNVENMXUVVKH-UHFFFAOYSA-N 476.390 5.503 30 20 JKED C=CCN(C(=O)c1ccc(F)c(NC(C)=O)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 506176105 TVVDBGPMIGNHPO-UHFFFAOYSA-N 464.349 6.047 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1C 507886393 HMBAGSBJTOUQNK-UHFFFAOYSA-N 489.597 5.007 30 20 JKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c(F)c1 508359535 OFCGAVBYXPMMEG-QFIPXVFZSA-N 473.939 5.360 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 511335663 VPRLASXUBSFZLV-ILBGXUMGSA-N 473.960 5.306 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2csc(Br)c2)cc1 511390145 HIRJQFKXIFVUSF-UHFFFAOYSA-N 456.365 5.477 30 20 JKED CC(C)[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc2ccccc2[nH]1 511496300 DLCOJAMGCPIJTA-QHCPKHFHSA-N 452.518 5.206 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)c2)cc1 512233147 FAMSZMFHWOXKBA-UHFFFAOYSA-N 487.644 5.916 30 20 JKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1NC(=O)c1ccco1 515321953 QZYYKWKJNBIVBD-KRWDZBQOSA-N 461.587 6.177 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3cn4ccccc4n3)n2)cc1 516270239 QTEOJEUBUCDKFW-JOCHJYFZSA-N 496.617 6.249 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1 517800828 LBYCEXGPPNVXMD-FQEVSTJZSA-N 458.518 5.122 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccnc1Sc1ccc(Br)cc1 518148026 NDCIVUXXTRRMNE-HNNXBMFYSA-N 484.444 6.499 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC=C(c2cccc3ccccc23)CC1 518258986 FDDSRNCWDNYQFJ-LJQANCHMSA-N 455.583 5.488 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnn1-c1ccc(-c2ccccc2)cc1 518720812 BJBDZJCZKQJHNL-DEOSSOPVSA-N 486.560 5.728 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 520840376 JUACEMZJSVXHIH-GJZGRUSLSA-N 499.061 5.840 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)o1 521500331 JFEKMOPBRKHOLJ-RUZDIDTESA-N 463.493 5.304 30 20 JKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)C1 553962302 KXZVAYXYKOXIPQ-DENIHFKCSA-N 489.576 5.256 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCC2(N3CCCCC3)CCCCC2)c1 598695200 GMVAVELAOOVOFB-UHFFFAOYSA-N 490.673 5.208 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)COc3ccc4oc5ccccc5c4c3)s2)cc1 603449387 VRPUFOLNSIPVAB-UHFFFAOYSA-N 472.551 5.619 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 603564430 JAICVLOKVPOFDA-LJQANCHMSA-N 471.369 5.232 30 20 JKED Cc1nc(NC(=O)c2ccccc2OCc2cccc(Br)c2)sc1SCC#N 603775742 JUPYXASMJCDJIR-UHFFFAOYSA-N 474.405 5.661 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 608883327 LMQDEOMOXYXARC-UHFFFAOYSA-N 492.461 5.283 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 608939769 LSNLSKWGINNRIS-UHFFFAOYSA-N 496.611 5.234 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc(OC)c1OC 609006360 BJHUUCJUDDGZDQ-GOSISDBHSA-N 496.976 5.069 30 20 JKED C[C@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)C1 609080800 UUEIALINDRJUDD-IBGZPJMESA-N 495.023 5.293 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c(C(F)(F)F)c1 609107941 CXSDMFANJSOKHK-UHFFFAOYSA-N 476.914 5.034 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 609421546 LMBHEYWQHJCZBP-KRWDZBQOSA-N 464.566 5.162 30 20 JKED C=CCN(C(=O)c1ccc(Cn2cncn2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 617943884 HRHPYUPNJAYMRO-UHFFFAOYSA-N 477.593 5.950 30 20 JKED C=CCn1c(S[C@H](C)c2nnnn2-c2ccccc2)nc2cc(-c3ccccc3)sc2c1=O 643094617 HTMWQPUSMSOHFM-MRXNPFEDSA-N 472.599 5.140 30 20 JKED N#CCCn1cc(C(=O)CSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)c2ccccc21 680333300 XREDUUMMNLYUAJ-UHFFFAOYSA-N 488.569 6.046 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCO[C@H](c3ccccc3Br)C2)c1=S 725778529 LUCVZLGJWUKBAP-FQEVSTJZSA-N 489.414 5.200 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)s2)cc1 726570753 KOPMZPIRGFWFSL-UHFFFAOYSA-O 455.028 6.145 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(Cl)nc2)cc1 727160935 XJZYWUCBYLVYQL-UHFFFAOYSA-O 482.029 5.315 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 727233207 JMDQXNUJAYLBCH-BXUZGUMPSA-N 458.408 5.135 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 727628891 OLEDWJVAECQJJI-HNNXBMFYSA-N 486.544 6.018 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C 727848513 NOKZAPOYSVCGTM-NEPJUHHUSA-N 466.419 5.234 30 20 JKED COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062791 UEQBRAKWUJEASN-INIZCTEOSA-N 492.963 5.197 30 20 JKED CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCSc2ccc(Br)cc21 729036349 OFOKSJJFCIBQLQ-XZOQPEGZSA-N 492.442 6.805 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@H](C)C(=O)N(C)CCC#N)cc1 729248120 TZESFNRWYMNNLJ-JJWXFRNXSA-N 474.630 5.356 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(C)c2)c1 729668639 MDRVXAJWYCCPCZ-UHFFFAOYSA-O 464.350 5.020 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CCC2)C1=O)Nc1ccccc1Br 730461020 JZNSPGLIANCPDO-SFHVURJKSA-N 492.826 5.615 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730461914 ULLHKXGJKPZCQU-GOSISDBHSA-N 481.927 5.872 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 730686998 KZFJIDLGQIQSFS-GFCCVEGCSA-N 486.302 5.902 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c(C)c1 730714000 VMEAUWGBUTVFSE-NRFANRHFSA-N 482.993 5.414 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1[C@H](C)c1ccccc1 731068529 AJPLBVGPDYWQFY-UYAOXDASSA-N 475.614 5.762 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl 731151962 WOQKVTJVCRFUNB-UHFFFAOYSA-N 481.025 5.787 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCCC#N)cc1 731307949 JVWGKORIXLLQCU-QFIPXVFZSA-N 464.591 5.170 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 749147149 CRORGSLLQYYFFF-PLNGDYQASA-N 495.423 5.486 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2c(-c3ccccc3Cl)noc2C)c1 763027936 PIUOHWDABKJNRG-UHFFFAOYSA-N 451.910 5.024 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(CC(F)(F)F)C2=O)c1 799212785 KHLZKGVBROICGP-SFHVURJKSA-N 483.943 5.788 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@H](C)c3ccccn3)C2=O)cc1 837301934 QDIHMJZNBAEFGP-HOYKHHGWSA-N 486.597 5.314 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC(F)(F)F 838509594 GWVKDYHSYSGOID-FQEVSTJZSA-N 487.503 5.371 30 20 JKED CC(C)N1CC[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 849498327 JSCWFIRREQDZPN-GVAUOCQISA-N 476.024 5.182 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3SCC#N)cs2)cc1 900237220 FBXYYLBXVOFKOJ-UHFFFAOYSA-N 451.573 5.345 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1-c1ccco1 904394773 UEIURXSWFQYZLR-UHFFFAOYSA-N 464.370 5.281 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 912832133 QQEOFFZTZWEVPE-UHFFFAOYSA-N 462.497 5.351 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCC2CCCC2)c1 913118403 RRGLFQCZDCKIBU-HSZRJFAPSA-N 478.618 5.186 30 20 JKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 914772970 SIERGLAOYFKFKV-UHFFFAOYSA-N 482.419 5.232 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl 915055843 VMVUOSSPWXSZEQ-UHFFFAOYSA-N 457.921 5.513 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2ccccn2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102497 VCEXWWLDQQZILE-CQSZACIVSA-N 470.341 5.371 30 20 JKED Cc1nc(NC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)sc1SCC#N 916088625 WKQBVOYMBOOQGQ-UHFFFAOYSA-N 477.567 5.313 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCCC3)C2=O)c1 916210288 ZQFXJFPPISRRTH-FQEVSTJZSA-N 489.544 5.200 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2)cc1 916214183 KCNILRRKTGEHOK-XMMPIXPASA-N 489.597 5.254 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(N2CCCCC2)cc1 916273182 VDICWKKMEWAEBS-UHFFFAOYSA-N 463.006 5.959 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3[C@@H]3COc4ccccc4O3)s2)cc1 916320606 CUVHXARXNJQHNZ-INIZCTEOSA-N 484.994 5.123 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 916719587 FJFUKCONHXJNDT-FVDSYPCUSA-N 494.617 5.107 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1ccc2ccccc2n1 916849920 WMYXCAKSPFAQCK-DFBJGRDBSA-N 457.327 5.994 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(I)cc1 916906830 VRGCBLYLFPIBKO-GOSISDBHSA-N 482.277 5.045 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)cc1 916914141 VWTHEMOQSMNVFA-FQEVSTJZSA-N 469.372 5.248 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc(OC)c1OCc1ccccc1 916918977 SZFRYJZFCXTXPX-HSZRJFAPSA-N 480.520 5.397 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(C)Cc2cccc(C(F)(F)F)c2)c1=S 917473969 IHTBATVZBLDAAX-HXUWFJFHSA-N 476.524 5.221 30 20 JKED N#Cc1ccccc1NC(=S)Nc1ccc(NC(=O)c2ccccc2I)cc1 917602230 KILHCJABZDZZEU-UHFFFAOYSA-N 498.349 5.224 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccc(C(C)(C)C)cc2)C=C1 917609687 DVLMJKQZDAOZHO-UHFFFAOYSA-O 496.656 6.518 30 20 JKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(COc3ccccc3C#N)o2)c(Cl)c1 919515361 RMBHBFPEQVAQBI-MRXNPFEDSA-N 452.894 5.185 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)CCSc2ccc(Br)cc2)c1C 919737601 IOMSKBHJCFHNPL-UHFFFAOYSA-N 475.408 5.038 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 920107820 GYBREKIWVZWFHT-JOCHJYFZSA-N 477.492 5.413 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 920168901 PEBPOBLLHBUXBH-JWQCQUIFSA-N 498.583 5.654 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)cc1 920286920 XOHJPJKVCVNDPZ-VWLOTQADSA-N 471.520 5.723 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc(-c2c(F)cccc2F)cs1 920804327 PSPFVJYXMXHNHE-CQSZACIVSA-N 469.900 6.206 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cc1nc(O)c2c(-c3ccc(C)cc3)c(C)sc2n1 1190802639 XLRGSYOGLZLRHN-UHFFFAOYSA-N 458.587 5.201 30 20 JKED C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCC(C(F)(F)F)CC1 1286960981 KVIGKVUSHSFIKY-IYXRBSQSSA-N 473.341 5.000 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)SCC(=O)N4)CCC2)cc1 1785842262 XUWBCQVVYJRBFD-UHFFFAOYSA-N 477.630 5.471 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786182593 XBFHEFUGBKGZPA-GCJKJVERSA-N 469.626 5.026 30 20 JKED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCCCCCCCCCc3ccccc3)C[C@@H]21 1786369785 MRVRPOIEGSARQI-QKDODKLFSA-N 481.681 5.023 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccnc(F)c3)cc2)CCC1 1786517466 LCWGWJSIMIVBCK-UHFFFAOYSA-N 451.618 5.020 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cscc4OC)CCC3)cc2)c(O)n1 1787173422 SRLPPEQAUYAIDE-UHFFFAOYSA-N 477.586 5.037 30 20 JKED Cc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1787331946 MKQGQMFOJYBHAX-UHFFFAOYSA-N 482.462 5.243 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)cn4)cc3)CCC2)cc(C(F)(F)F)c1 1787538787 ZFWWGQCGIXRFKA-UHFFFAOYSA-N 482.437 5.173 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4Cl)cc3)CCC2)cc(C(F)(F)F)c1 1789680794 STACKXIYSYKGGD-UHFFFAOYSA-N 498.892 5.687 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccccc5n4)CCC3)cc2)c1Cl 1790084035 VVGFZJCVSCTOPC-UHFFFAOYSA-N 481.943 5.216 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707211 GXXXBIHYZNLAKP-UHFFFAOYSA-N 479.536 5.574 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790708026 NKIQNYQADFLBPP-HXUWFJFHSA-N 462.553 5.441 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)cc1 1790710891 WYYFIVHHLCHKSP-UHFFFAOYSA-N 462.509 5.275 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cncc3Cl)CCC2)cc1)C(F)(F)F 1791302777 XRVHDFGNFHBBCG-UHFFFAOYSA-N 458.267 5.255 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4C5CCC(CC5)N4C(=O)OC(C)(C)C)cc3)CCC2)C1 1791409800 LVKBXDYADRNTIZ-PBSMCPNCSA-N 493.648 5.265 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCOc3ccccc3Br)CCC2)cc1 1791584171 RMVJYBCQPUTPEM-UHFFFAOYSA-N 483.406 5.156 30 20 JKED COC(=O)CCCCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792126651 IVYUAYFLCMCVOY-HXUWFJFHSA-N 475.589 5.185 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cc(F)c4F)cc3)CCC2)cc1 1792128906 ICJFQGIUVCRPKW-UHFFFAOYSA-N 463.459 5.231 30 20 JKED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)ccc1F 1800133764 RQRLYHHTGQWTBU-KOUNCHBCSA-N 491.950 5.105 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1802500165 LGGDRJYZVQQJMS-ATIYNZHBSA-N 493.623 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1802748008 OXFFRRJAUCAGFJ-SIKLNZKXSA-N 489.538 5.292 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1803084688 VCXPTKMNPGMCTG-HDXVFLSXSA-N 469.585 5.315 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCc4cnc5ccccc5c4)C3)CC2)c1 1805317358 ZAIACDQBWUKAGU-HSZRJFAPSA-N 494.639 5.339 30 20 JKED C[C@@H](S)C(=O)N1CCC2(CCCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)CC1 1805626719 IGCMXKPIQMKCSH-LWEYNCJUSA-N 463.087 5.163 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1810171692 GYODCOOYNJVDDH-SGIRGMQISA-N 457.574 5.224 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccnc3ccccc23)[C@@H]1c1cccnc1 1810271344 DIAFFKXVTTWJMI-NEKDWFFYSA-N 498.703 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1810772530 ZJQSIIOGFKSMFB-NZQKXSOJSA-N 498.465 5.465 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813231900 ZTPHVVSIBZJZII-FDDCHVKYSA-N 491.941 5.267 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1813866491 SSIQTCITNQQHFT-FPGLGEENSA-N 482.584 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c1 1813882461 HTCHKCBECNKEQN-FCTLNWHPSA-N 492.623 5.221 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cccc(Cc4cccc(F)c4)c3)[C@H]2c2cccnc2)C1 1814010401 MPBKJQPUOJZUBQ-LEAFIULHSA-N 483.587 5.097 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C)c4ccccc34)[C@H]2c2cccnc2)C1 1814300587 TUTTYOLWKCXWJC-PWUYWRBVSA-N 467.613 5.148 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@](C)(OC)c3cccc4ccccc34)n[nH]2)C1 1814406849 RXEIKTMVYDUFMW-CUBQBAPOSA-N 472.589 5.083 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CC3)n[nH]2)cc1C#N 1814470601 APSYFUJHTHLMMF-DEOSSOPVSA-N 497.599 5.106 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CC2)[nH]n1 1814824505 WASOBKFFDVLRLN-JOCHJYFZSA-N 450.558 5.041 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC3CCC3)n[nH]2)cc(C(F)(F)F)c1 1815051415 JNNVXGXEIYQMKG-HXUWFJFHSA-N 473.499 5.186 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSC2CCCC2)n[nH]1)c1ccccc1 1815184913 SEMUNGLBLZQJJP-ISKFKSNPSA-N 478.662 5.275 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)CCCCC)[nH]n1 1815463239 VJJFGSSMBRCQMW-ZJOUEHCJSA-N 489.661 5.088 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](F)c3ccccc3)n[nH]2)cc(C(F)(F)F)c1 1815556523 FJZAZCAUCNTRCF-IRLDBZIGSA-N 499.468 5.317 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(F)cc3)CC2)n[nH]1 1815625267 UIDLILUJNNRDPW-QFIPXVFZSA-N 450.558 5.041 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)n[nH]2)c1 1816202497 CCOAGPRMEHVDRN-RUZDIDTESA-N 496.546 5.344 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)c1Cl 1816693305 ICNKBHNMOGDARR-FQEVSTJZSA-N 453.974 5.211 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4c3OC(C)(C)C4)n[nH]2)c1 1817945006 JXSCGJZSDQBLJG-MHECFPHRSA-N 497.599 5.370 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)cc2c1 1818207112 VVTCURRTYDUURJ-UZLBHIALSA-N 483.597 5.100 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1 1818441409 OVZLBLUYPYPDEG-SANMLTNESA-N 477.568 5.344 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)cc2c1 1818567817 ZTZDPZDAODAZEO-AVRWGWEMSA-N 480.572 5.446 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)cc3cc[nH]c23)n[nH]1 1818610416 VJWACILKEUBARH-FQEVSTJZSA-N 496.409 5.153 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)[nH]n1 1819310307 YEMPTRYGVVPBGN-PZJWPPBQSA-N 471.001 5.075 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1819363697 JIUBGKOVUNVDMG-UGKGYDQZSA-N 496.995 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](c1ccccc1)N(CC)CC)CC2 1820100465 JCVLPDFEERGWON-NZQKXSOJSA-N 482.694 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(SC)c2O)n[nH]1 1820191108 DRLWVKJELPAEIB-GOSISDBHSA-N 456.612 5.136 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1Cl 1820219638 UXGKJIZHPQODRP-MRXNPFEDSA-N 496.017 5.831 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434914 NXBBNIIYLYFFPJ-DEOSSOPVSA-N 488.588 5.491 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)c1 1820563094 PULSOBUVORWRDD-AOMKIAJQSA-N 461.953 5.310 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC)[nH]n1 1820946602 OQHYNKBVAHUJRE-PZJWPPBQSA-N 491.677 5.456 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n[nH]1 1821083462 NMFLXWHEYUSNRU-IBGZPJMESA-N 464.463 5.067 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1)C(F)(F)F 1821149614 YQZHHXXWJPHOSO-SFHVURJKSA-N 464.488 5.011 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3c(F)c(F)ccc3c2)n[nH]1 1821550349 TZJSJKKLUPQLMY-OAQYLSRUSA-N 479.531 5.310 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1821986112 IIPHUWFIQOIXHF-QGZVFWFLSA-N 461.900 5.062 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c(Cl)ccc(OC)c2F)n[nH]1 1822489196 RJXMPQWIOHRNSR-HXUWFJFHSA-N 488.991 5.214 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cncc(C(F)(F)F)c2)n[nH]1 1822653887 SGNIVQOWTGXUQD-OAQYLSRUSA-N 489.542 5.217 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)nc3)[nH]n2)c1 1823211998 DTPWKEHNHUIBFU-WZONZLPQSA-N 484.604 5.349 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1C 1823216747 NLKNEGZXHUVVRB-YADARESESA-N 485.588 5.282 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1823255766 CZWQQPWGTWXANR-AOMKIAJQSA-N 491.979 5.318 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)c(F)c1 1823292567 PEGQGDDHXXUENF-QHCPKHFHSA-N 489.551 5.136 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3F)n[nH]2)c1 1823295358 IMYNBSBSDWPHQS-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)CC1 1823751049 IRQXVXLIKMGWCF-KKUQBAQOSA-N 466.666 5.411 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 1824137714 MWRFOBNBBQXWRN-MHZLTWQESA-N 461.650 5.109 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1824509697 FKNOJHDOQPQSJD-AJTFRIOCSA-N 476.617 5.303 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1824960556 GOGHSJMQVGHIOI-VWLOTQADSA-N 478.658 5.631 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)n1cccc1 1827632704 NKBINDZYJCAHSL-JWQCQUIFSA-N 481.040 5.288 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827773486 RUVZVRPLMWKZAT-TZIWHRDSSA-N 451.533 5.035 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CC2)CC1)C(F)(F)F 1828340120 ZNWUFKOHOHIUDR-HXUWFJFHSA-N 468.947 5.110 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1828344441 LDVWZZBZTQBVHB-VWLOTQADSA-N 496.076 5.546 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1828498703 QVMBUFSHZGOTGA-BVAGGSTKSA-N 499.659 5.331 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828741833 USWXMJRWAULNOB-IRLDBZIGSA-N 462.059 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 1828826602 IWVXKPFJOBVMEP-FCHUYYIVSA-N 463.544 5.102 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(Cl)c2)CC1)c1ccccc1 1829031350 ZPGXRZBNPDWAEX-LOSJGSFVSA-N 478.036 5.166 30 20 JKED Cc1ccc(CSCCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830016884 NJUJNUCGBWAMEL-HHHXNRCGSA-N 489.685 5.424 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C)cc3Cl)CC2)c(C#N)c1 1830292427 QMDCXYQMPNMICR-AREMUKBSSA-N 494.035 5.005 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 1830416414 PYMFXHLGBLWRHT-AZUAARDMSA-N 461.672 5.080 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)[nH]c12 1830721285 BBZPBRVCSZKUFW-RUZDIDTESA-N 489.019 5.549 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c1 1830992401 NEYIUZRDEJAPMR-IBVKSMDESA-N 469.585 5.607 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)CCC1 1831060713 QRSBODDYFKDUIK-DEOSSOPVSA-N 469.585 5.513 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1831369480 AKCZJCUYKCDUHS-GCJKJVERSA-N 450.545 5.080 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 1831442119 LQLGPHCJELDUHV-LJQANCHMSA-N 487.360 5.033 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1)C(F)(F)F 1831452135 VGWQHRMJAHNIKU-BIHRQFPBSA-N 489.582 5.103 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1)C(F)(F)F 1831685905 DOXQMDUMCIWNQE-JRMCHAMMSA-N 499.371 5.201 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CCC(OC4CCN(C(=O)CC#N)CC4)CC3)cc2)cc1 1837635691 NIMJSYDUZIVMJJ-UHFFFAOYSA-N 487.644 5.222 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1843458536 KLOCLOREYKERSP-UHFFFAOYSA-N 479.363 5.122 30 20 JKED CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1 1857783286 UWWJERLOMMGXOJ-UHFFFAOYSA-N 461.408 5.786 30 20 JKED O=C(/C(=C(/S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 10179171 HEILZYHAKYPPFF-UHFFFAOYSA-O 492.398 6.489 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1cccc(Br)c1 11084695 DZTRLTCWMJZLPK-UHFFFAOYSA-O 498.422 5.121 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2F)cc1 11171346 XIEPDQWHTGMELU-UHFFFAOYSA-O 461.626 6.556 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n2CC(C)C)cc1 15852531 WRLBHVJTFPOJEU-OAHLLOKOSA-N 469.998 5.254 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 21514975 HLEUUJFLWBKVDX-SECBINFHSA-N 478.374 5.327 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 23542004 OHSQFIHDPUSPGM-NRFANRHFSA-N 494.551 5.040 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1OC 26972398 IGAKTTTURHORKG-IBGZPJMESA-N 497.690 5.023 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(COC)c2)c1 29145141 OZLUAPGWMWHVSS-UHFFFAOYSA-N 470.978 5.120 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 32614331 HIHKPTXRWRQWGB-UHFFFAOYSA-N 495.604 5.226 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c12 105436006 NQGRNYGHZDQHCR-UHFFFAOYSA-N 482.471 5.245 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 106033653 NLEIKOJWDFEBEU-UHFFFAOYSA-N 489.626 5.022 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc3[nH]c(-c4cccc(F)c4)nc3c2)CC1 302999816 UNFXVPDCTKSDGB-UHFFFAOYSA-N 496.502 5.344 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3c(F)cc(Br)cc3[nH]2)cc1 303046176 XGWTVWFVGRYBQY-UHFFFAOYSA-N 478.321 5.967 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(I)cc3Cl)s2)cc1 303181408 KSZDTIUKMKBKOR-UHFFFAOYSA-N 479.730 5.116 30 20 JKED C[C@@H]1CN(Cc2cccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2)CCO1 409772930 NROKUWIEKVIKEE-FQRUVTKNSA-N 489.019 5.538 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)c2)cc1 409780525 UXAXQPLIOLKUMY-SQHAQQRYSA-N 455.558 5.621 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@@H](c3ccccc3)C2)nnc1-c1ccc(Cl)cc1Cl 476138468 GWFRDIVKGGKLLH-QGZVFWFLSA-N 473.429 5.546 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481594325 IALSCCJUFXYUTQ-UHFFFAOYSA-N 484.531 6.028 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CCc2c(C)nn(CCC#N)c2C)cc1C 486172852 KKJOTCPBLKPBPE-UHFFFAOYSA-N 494.643 5.474 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)s1 497994724 ACFIZNVANAGOED-UHFFFAOYSA-N 460.559 5.147 30 20 JKED CC(C)c1nc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)nn1-c1ccccc1Cl 498378681 RALUERFBLGTEFZ-UHFFFAOYSA-N 461.875 5.120 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccccc3-c3ccc(-c4ccccc4)cc3)cc2)c1N 500935788 FNJGOIVJYDLLRU-UHFFFAOYSA-N 455.521 5.912 30 20 JKED COc1ccc(Cl)cc1-n1c(S[C@@H](C)C(=O)N(C)CCC#N)nnc1-c1cccc(Cl)c1 501628219 OBTMFPKBWNZKSU-AWEZNQCLSA-N 490.416 5.102 30 20 JKED CC(C)c1nc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2s1 502460155 PNPXEMZBYZNSSD-UHFFFAOYSA-N 460.519 5.357 30 20 JKED N#C[C@@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 502753825 RKSAIOCBNLVGFH-AWEZNQCLSA-N 474.414 5.783 30 20 JKED C=CCn1c(SCc2cnc3c(cnn3C(C)C)c2)nc2scc(-c3cccs3)c2c1=O 504337884 WTYOFLWJJKLGDU-UHFFFAOYSA-N 479.656 5.990 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2ccccc2n1C(F)F 507007195 OSHWVQVVWQGORY-INIZCTEOSA-N 460.469 5.231 30 20 JKED N#CCCCCNC(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1Cl 509232072 CBRRGDWKWFQCIL-UHFFFAOYSA-N 496.736 5.012 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510274663 WSGCCHPBHAJLQN-HXOBKFHXSA-N 478.017 5.923 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 510344730 DKJNVSLXAXAQAZ-FQEVSTJZSA-N 489.984 5.998 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 510858435 CLKQPFVRDQTAII-UHFFFAOYSA-N 473.960 6.439 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)c1 511419639 DTHFBYQMRWNHCT-UHFFFAOYSA-N 482.584 5.020 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(C)o2)nc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 512195512 JNSUYWIGIRLCEG-UHFFFAOYSA-N 499.639 5.380 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1Cl 513542814 JXOLCHUJPJNRHJ-UUOWRZLLSA-N 462.956 5.783 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513661867 WFGAMAGQWLGHEO-LJQANCHMSA-N 468.538 5.018 30 20 JKED N#CCc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 514431294 KGBXSWTZKBBOBP-HXUWFJFHSA-N 471.504 5.721 30 20 JKED COc1ccc([C@@H](NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)C2CC2)cc1 515179500 DSQQTFBAIONRGQ-VWLOTQADSA-N 459.571 5.070 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 517448739 ILWCGBPCCSZBEH-SFHVURJKSA-N 492.670 6.027 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 518239918 OIRKHBAOJZCKJL-OAHLLOKOSA-N 463.563 5.781 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 518654054 WLSYYAUCWARTGE-INIZCTEOSA-N 476.652 6.483 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CCCCC1 518676494 DTRCOVXKZGABFO-KRWDZBQOSA-N 455.546 5.515 30 20 JKED COc1ccc([C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2ccc(C)cc2)cc1 519175845 HBZWXBYGUHAITO-MHZLTWQESA-N 455.558 5.218 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)c2)cc1 519199018 JKWQOYJJJKZOTP-UHFFFAOYSA-N 464.529 5.547 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1ccccc1 519502810 QEEWFPVCDGEDSF-UHFFFAOYSA-N 463.484 5.209 30 20 JKED C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(NC(=O)c2ccccc2)c1 520613731 CJNHFUGVCWDKSU-HXUWFJFHSA-N 468.557 5.125 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3sccc3S(=O)(=O)NCc3cccs3)c2)cc1 521492213 GLSNBTHPWYPMNS-UHFFFAOYSA-N 495.607 5.204 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1ccccc1)c1ccccc1C#N 571950963 PLORXQFFFGPQCN-UHFFFAOYSA-N 490.357 5.203 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CNC(=O)C4CCCC4)cc3)n2)cc1 590209100 VQWGKFYNFWTOTD-JOCHJYFZSA-N 459.571 5.115 30 20 JKED Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)sc2nc(C(F)(F)F)ccc12 603557629 GVJCBOQPSZIDSL-UHFFFAOYSA-N 491.545 5.891 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 603601307 WFHHONKRXQSBAL-UHFFFAOYSA-N 462.720 6.032 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1C(F)(F)F 603622892 LFUTZQLJSCUOPV-UHFFFAOYSA-N 463.419 5.511 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 603653365 ZQLOLWHPQYZQLR-UHFFFAOYSA-N 450.336 5.564 30 20 JKED N#Cc1c(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)sc2c1CCCC2 603776206 MNOQYORWTQOSTI-UHFFFAOYSA-N 472.339 5.840 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 603967105 YXOMCMHBAWSRDI-QGZVFWFLSA-N 499.976 5.121 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1Cl 603987549 NIVDAVURGYJGCG-UHFFFAOYSA-N 465.937 5.554 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3cc4ccccc4o3)cn2)cc1 604137549 JSOFIAUPBUIOOC-MHZLTWQESA-N 488.503 5.336 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)oc3ccccc23)s1 604528479 XYKIDNCQVRGAKC-UHFFFAOYSA-N 499.577 6.196 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 608934913 CFYQGMTULQIOGJ-UHFFFAOYSA-N 492.423 5.542 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCC3(c4ccccc4)CCCCCC3)cn2)c1 609012898 PYVIKBARSMRRGK-UHFFFAOYSA-N 468.557 5.092 30 20 JKED CCc1c(C)sc(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1C#N 609032912 MKUIFJRIHLPYHV-UHFFFAOYSA-N 461.587 5.143 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)cc2)c1 609063733 KFBFKVBZHBBJRP-UHFFFAOYSA-N 482.561 5.363 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)C[C@H](C)O1 609104773 OHAYGOINLKDXDR-PMACEKPBSA-N 473.548 5.138 30 20 JKED C=CCN(C(=O)c1cc2ccccc2n1CC#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 609216062 ZZUMQMUFVYDCLL-UHFFFAOYSA-N 467.381 6.428 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2CCC(c3ccccc3)CC2)CC1 609374224 WSGOSEQNTZDIHU-UHFFFAOYSA-N 458.562 5.113 30 20 JKED Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1 609384499 INDYABWTLFSFTG-HXUWFJFHSA-N 479.627 5.223 30 20 JKED COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387354 YLFCWSWQEKMMCK-CABCVRRESA-N 451.514 5.398 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 609430727 UCLHHVDADBYYTK-INIZCTEOSA-N 469.563 5.273 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 609439508 HPJRSQHVASHDLG-GJZGRUSLSA-N 499.061 5.982 30 20 JKED CC(C)Cn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc2c1=O 613347309 ZAJLCXANDUTFRY-GOSISDBHSA-N 497.407 5.973 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 615432240 BSFMBSWQYBKNFG-GHMZBOCLSA-N 467.328 5.876 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618548287 ZNCATFIPTFPYNZ-GJZGRUSLSA-N 464.381 5.890 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)s2)cc1 620304343 VDAURWIQZQSELJ-OAHLLOKOSA-N 467.522 6.019 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 622584938 NUCGHEXNXKFXCP-CWTRNNRKSA-N 465.413 5.282 30 20 JKED N#C[C@H](C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)c1ccc2ccccc2n1 624443404 BGNJZOXPJHZYJZ-QFIPXVFZSA-N 495.604 5.845 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1coc(-c2ccc(OC)cc2)n1 636336760 CBIGAYVYXZRONT-UHFFFAOYSA-N 468.966 5.652 30 20 JKED C[C@@H](OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)N(CCC#N)c1ccccc1 725994240 DOABPFPJPMGKMF-OAHLLOKOSA-N 473.476 5.321 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@@H](C)c2cccnc2)cn1 726109582 CPPHWXKZKZJZGO-UUOWRZLLSA-N 498.612 5.173 30 20 JKED Cc1nc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)nc2ccccc12 726403035 YCHZSMXUYQUXIX-HSZRJFAPSA-N 481.581 5.099 30 20 JKED Cc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(-c3ccccc3)cc2)cc1 726571615 JVDOIBGLMBKFCB-UHFFFAOYSA-O 466.586 5.456 30 20 JKED COc1ccc(-c2cc3nc(/C(Cl)=C/c4cccc(OCCCC#N)c4)[nH]c(=O)c3s2)cc1 726743864 RUIQGZITNCPKEB-ZHZULCJRSA-N 477.973 6.080 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 726755044 ZZUYKGZRIRIQNB-UHFFFAOYSA-N 458.518 5.197 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1 727623436 HUIPELQBDUZWCT-QFIPXVFZSA-N 463.459 5.105 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4nc5ccccc5s4)CC3)n2)cc1 727631169 ANLNFIVCKWAJDW-LJQANCHMSA-N 474.611 5.521 30 20 JKED C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 728412853 FCVDOSALFWQSTG-NTKDMRAZSA-N 463.562 5.916 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2cccc(C(C)C)c2)no1 728425800 PKZWLZCXTVBVRU-QHCPKHFHSA-N 487.585 5.139 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1csc(-c2ccc3c(c2)OCO3)n1 728427708 ITLVWWDITTUHRR-UHFFFAOYSA-N 472.551 5.168 30 20 JKED N#C[C@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 728767053 TZENSCZHPFMEKO-WOJBJXKFSA-N 452.432 5.862 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1nc(-c2c(F)cccc2F)cs1 728768389 DQDUUUWKTXWANU-CYBMUJFWSA-N 499.593 5.712 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(CCCCC#N)C2=O)c1 728780384 SARYXAQQALJHKV-NRFANRHFSA-N 470.545 5.236 30 20 JKED N#CCCN(CC1CC1)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 728904829 YQKGYDJGUXVERM-UHFFFAOYSA-N 462.406 5.612 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 729141513 AUPXVXYDOCAWJX-LJQANCHMSA-N 485.034 5.574 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)cc1 729144858 GOOLYTDZOOMIIT-LJQANCHMSA-N 468.579 5.060 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3scnc3C)C2=O)c1 729145461 LIBLBOPEENIOIO-AIENNRMESA-N 498.699 5.720 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 729146686 WEKZQDFFBPQKNZ-SFHVURJKSA-N 490.532 5.029 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1OC 729429402 LJJNHYAVYDLLQH-HSZRJFAPSA-N 486.959 5.133 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 729564174 WTMXWXFEMCEHIU-UHFFFAOYSA-N 450.539 5.180 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1C 730609760 QIMVGEKRQPHAFN-UHFFFAOYSA-N 489.519 5.355 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730716339 VODUMKZYMYOEPD-REWPJTCUSA-N 492.004 5.242 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cs1)c1ccc(F)cc1F 745999289 WLVNXZGNHIPYNB-DAXSKMNVSA-N 453.297 6.309 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C)c1C 746696229 KZHXFGFCOIVHQY-QFIPXVFZSA-N 453.608 5.080 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 749361222 LBWVKMZOQFSDBD-UHFFFAOYSA-N 455.518 5.284 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1 751085559 XFIFAOHQPMVZNW-XMMPIXPASA-N 475.386 5.791 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cn1 779186779 JJEVSXJORAGPBQ-OAHLLOKOSA-N 451.935 5.083 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(F)c(Cl)c1 799215558 USCJVIHWKKDLOD-MRXNPFEDSA-N 485.324 5.021 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 799218518 HGTHCAVJTDABDC-OAHLLOKOSA-N 477.842 5.141 30 20 JKED Cc1oc(NC(=O)COC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c(C#N)c1C 821868220 FDXBYNSTRHHGMI-HSZRJFAPSA-N 468.962 5.426 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1C 837299185 DXJYUHHMYODRRG-MBSDFSHPSA-N 476.577 5.559 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 837775338 WPRWVYHHGLQABJ-SPLOXXLWSA-N 484.503 5.220 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@H](C)c2cccnc2)cc1 837917337 FJRILHWAMVOKGD-KOSHJBKYSA-N 488.613 5.374 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 838298688 NTQIHLQXUTWGIE-WAIKUNEKSA-N 494.567 5.644 30 20 JKED CCOc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(F)cc3)=C2C)cc1 839946874 BKGQNLGTASHEEP-VWLOTQADSA-N 486.572 5.445 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 912791400 LIMOOSJGOKWKTG-UHFFFAOYSA-N 472.438 5.015 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2cccc(C#N)c2)c(Cl)cc1Cl 914483458 YKWDSAXUNWVANI-UHFFFAOYSA-N 488.396 5.010 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2sccc2C)c1 914542264 BMEWMAALEITSPS-HXUWFJFHSA-N 465.600 5.226 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(-c2cccc(Br)c2)s1 914599873 NFNKSDJBTULDBO-UHFFFAOYSA-N 463.426 5.031 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC)cc2)cc1 914772942 RGGRNMWCKNUJEE-DEOSSOPVSA-N 489.597 5.002 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)sc2nc3n(c(=O)c12)CCCCC3 915088264 MJWJFLVIVRIAIG-OAQYLSRUSA-N 468.582 5.401 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(F)cc1 916210592 FIRWOCVWKDIGMR-GOSISDBHSA-N 478.933 5.004 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c1 916212343 URURWPBGEQECBE-HSZRJFAPSA-N 494.567 5.180 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)ccn2)cc1 916404184 MAKBYDSFMOCETQ-SANMLTNESA-N 464.525 5.860 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916719632 GCYAQMWGXGGGHA-ISOPTDGDSA-N 499.662 5.114 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)n2)cc1 916828014 HRJNEKLGFTYCJA-HSZRJFAPSA-N 451.507 5.388 30 20 JKED N#C[C@@H](C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1nc(O)c2c3c(sc2n1)CCCC3 916846915 HUUBPRGTEXYBMV-RBBKRZOGSA-N 493.592 5.460 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1[C@H](C)c1ccccc1 916887143 LBPCGNHBMOGYQM-ZHRRBRCNSA-N 467.541 5.990 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(NC(=O)c2cccs2)c1 916906349 SKBRWIFAAXJRSS-OAQYLSRUSA-N 481.533 5.754 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)c(C)c1Br 916919338 WPUDNQXOJREBSI-OAQYLSRUSA-N 487.357 5.366 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc12 916936578 PIKQMVVRDZHUKZ-MRXNPFEDSA-N 452.898 5.149 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 916947685 PLYUIKDOBVIXIP-SCLBCKFNSA-N 452.605 5.261 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O 917457988 PAUMREWXWCKMEH-UHFFFAOYSA-N 487.401 5.567 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccc(C)n3)C2=O)cc1 917678506 VSJHSGLBVUHKHB-QHCPKHFHSA-N 492.576 5.088 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)c1 917678550 XHSHIECBSHLZOG-HSZRJFAPSA-N 477.561 5.133 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C)s1 917694806 NESJPOHYAOESHL-OAQYLSRUSA-N 465.600 5.226 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 917700537 JDXXCGIYKLSFCC-IBVKSMDESA-N 494.620 5.634 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 918033896 GKCDANWLMOELAZ-WTYVLRPYSA-N 492.554 6.616 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 920108772 JKVOYJXNWDKFJP-XJKSGUPXSA-N 474.369 5.618 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 920143111 TZPJEZVMAVMORJ-RPWUZVMVSA-N 476.561 5.419 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(SC(F)F)cc2)s1 920171242 RNJAHSYKVDTQCW-ACJLOTCBSA-N 495.642 5.733 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 920354894 IFCUQMACZLRWLX-QFIPXVFZSA-N 497.020 5.722 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cc(C)on3)C2=O)cc1 920356359 SYMVOKUTUHAHHC-JOCHJYFZSA-N 496.564 5.071 30 20 JKED COc1ccc(O)c(C=Nc2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)c1 920942703 KFOWBUPMPFCHPN-UHFFFAOYSA-N 475.364 5.023 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)cc1 1785881694 FWUUOLFCYIBJIE-UHFFFAOYSA-N 460.537 5.097 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5ccsc5[nH]4)CCC3)cc2)cc1 1785882761 QUCPQDGHOTXYKI-UHFFFAOYSA-N 454.555 5.091 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)CCC1)c1ccc(O)cc1 1785967682 RARPXDICWQSTMT-OAQYLSRUSA-N 483.568 5.203 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786391632 PSAWIPIWCHWITB-BELIEFIBSA-N 477.674 5.453 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1 1786591266 KLNXFUGVJHRYMA-NLPFYKDJSA-N 466.544 5.062 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)CCC1 1786598949 IXLFQKZMWUGGEV-INMULRNOSA-N 487.522 5.654 30 20 JKED Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)n1 1786737575 GDXKOWFZBSFXIP-FQEVSTJZSA-N 466.585 5.398 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)[nH]4)CCC3)cc2)c(O)n1 1787172984 JCHPMUIUKSYYHK-UHFFFAOYSA-N 498.505 5.314 30 20 JKED Cc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1787423188 TUSIRLDNTNVLOH-UHFFFAOYSA-N 450.951 5.038 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccn5c4)cc3)CCC2)c1 1788413608 ZBLWYFQIRCUOGM-GOSISDBHSA-N 468.582 5.689 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@H](F)c3ccccc3)CCC2)cc1 1788649254 HFJNSJOXNATVAG-XIQMRYHBSA-N 462.546 5.332 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnn(-c5ccccc5)c4C(F)(F)F)cc3)CCC2)C1 1788688354 WKHWYOILJLQVBB-UHFFFAOYSA-N 494.517 5.605 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4occc4Br)cc3)CCC2)cc1 1788719833 WPJLYNKSIOUDIW-UHFFFAOYSA-N 492.373 5.294 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)ccc1F 1789507529 GPKWBDNHSJVIDX-UHFFFAOYSA-N 465.645 5.328 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1789583953 VJVXACXEUJMOEP-HUXYGNSESA-N 474.582 5.626 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)nc4)CCC3)cc2)c1 1790255212 JXMMIFUJXAPWTL-UHFFFAOYSA-N 464.447 5.034 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C)sc34)CCC2)cc1 1790566945 FUWCKZBHFMRSNU-INIZCTEOSA-N 464.591 5.153 30 20 JKED Cn1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c2cccnc21 1790767763 LHAHLGQWLHZUBW-UHFFFAOYSA-N 483.959 5.160 30 20 JKED Cc1cnn([C@H](C)C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)c1 1790787524 OAVOKLAQTKRGKW-QGZVFWFLSA-N 495.505 5.091 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(NC(C)=O)ccc3Cl)CCC2)cc1)C(F)(F)F 1791305747 QZNCTFZRNFHJEA-UHFFFAOYSA-N 479.886 5.165 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3cccc(F)c3)CCC2)cc1 1791593022 BFULRVYKLRXLHK-QHCPKHFHSA-N 495.595 5.492 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CC[C@@H]4CCOC4)cc3)CCC2)cc(C(F)(F)F)c1 1792025445 AKORZVLLPLPTJC-QGZVFWFLSA-N 485.506 5.141 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205226 RJUFFSNXQZMQLF-HXUWFJFHSA-N 491.579 5.025 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)c1 1796464208 PAFOSEJVOWQCTI-JTMVAAEOSA-N 478.596 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(-c2ccccc2)cn2ccccc12 1799191579 QEPIWNNBKDNLQC-BKFWDETESA-N 469.629 5.851 30 20 JKED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 1800556175 TUPBJJINXWMXFV-LZQXYRQZSA-N 469.670 5.334 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1802577934 MSUDVCNDQLSMMP-HVNBRUQDSA-N 494.639 5.032 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1803085030 XLJCXBYWEPKXRV-AOYPEHQESA-N 487.644 5.273 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@H]1c1cccnc1 1803088299 JQYQMMBZAHKNSS-ZYMCBDGHSA-N 463.666 5.462 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccc(Br)cc4s3)CC2)C1 1805044614 PODVQAKMMCTMAL-UHFFFAOYSA-N 488.451 5.058 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1 1805098322 JNZYLPAKADRSSM-LJQANCHMSA-N 464.009 5.434 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1807210131 IMEJDTSGHNXOOX-WMTXJRDZSA-N 496.449 5.241 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)C1)c1ccccc1 1809159743 OLDYTCIJPLOLDR-PPKOGYNDSA-N 492.685 5.548 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810241233 CUCAJPHZRJRHPM-HKHATACASA-N 477.674 5.694 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1811689605 LMMLSWLAAVRNHZ-GJZUVCINSA-N 498.652 5.243 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1)c1ccccc1 1812148503 DAXCAQBQIBIXEJ-HPUNYJORSA-N 491.591 5.345 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1812198610 XSMHUWKCQZLZNT-HYBUGGRVSA-N 475.614 5.090 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)[C@@H]1c1cccnc1 1813058785 SIAJBXSPHQOZRK-QABMSTFYSA-N 491.591 5.923 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(C)n2)n[nH]1)c1ccccc1 1814418742 AXMMETMZSWWLLE-LJPGWJPTSA-N 481.600 5.016 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)[nH]n1 1814442433 MLLRRIFRCSWTKH-JOCHJYFZSA-N 480.609 5.066 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)[nH]n1 1814830328 XHSWRMRXQPWSFF-IBGZPJMESA-N 456.974 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(Cn3ccnc3)cc2)n[nH]1 1815798441 JOQFAAUEDQAZIM-YHXKCMJXSA-N 498.631 5.128 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817208467 HRKPWNJKWWRZDR-VAEXLUAWSA-N 487.648 5.548 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817945981 USUKTGRNKCNYGY-FQEVSTJZSA-N 484.000 5.142 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cnc2Cl)n[nH]1)c1ccccc1 1819700300 WVZZISYBSYZJOJ-KNQAVFIVSA-N 493.970 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncccc2C(F)(F)F)n[nH]1 1819901024 CJLKNMUYZHUYAI-QGZVFWFLSA-N 463.504 5.122 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3sccc3c2O)n[nH]1 1821505728 DXPABRYJRNRSKT-UZLBHIALSA-N 464.591 5.404 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](C)Oc2ccccc2)n[nH]1 1821782301 WCBXCPFEQOFEKT-CVDCTZTESA-N 450.583 5.028 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)[nH]n1 1821924416 BOVUYIQMPCNJKS-JLTOFOAXSA-N 498.425 5.480 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)cc(C(F)(F)F)c1 1822022061 KEOOLODQSIFXMF-WHEACTPUSA-N 499.537 5.432 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)n[nH]1 1822579296 DXQULEMGBKFJFA-QPPBQGQZSA-N 493.652 5.413 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c1Cl 1823134087 LURUIWHTMDQYJZ-JOCHJYFZSA-N 473.964 5.432 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1823215586 XCKUZEMPQLZZIZ-DNVCBOLYSA-N 489.626 5.933 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)c3cccs3)[nH]n2)c1 1823215755 CLTAGVAGONQQPO-CBGDNZLLSA-N 461.591 5.208 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1 1824053249 MQDHLYSRMJNWPG-HHHXNRCGSA-N 489.685 5.211 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824137260 CTKJMLGJDGSVLL-HHHXNRCGSA-N 477.649 5.107 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccc(C)cc2)CC1 1824137400 ILQCFUNZLKMKRU-SANMLTNESA-N 452.639 5.152 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1 1824140638 AIKKQZAEPIYKAL-AREMUKBSSA-N 482.665 5.025 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2C(C)(C)C)CC1 1827296829 LLAZBSMKWAUZRL-VWNXMTODSA-N 451.655 5.381 30 20 JKED CCc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc(C)n1 1827927483 ACESXRBOZACJPO-CCLHPLFOSA-N 472.633 5.127 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c(C)cc2OC)CC1 1828826979 GFJNJFYEATXEOS-ZCYQVOJMSA-N 452.639 5.314 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1828827224 JYKHWGHIADHWNK-RPWUZVMVSA-N 487.566 5.579 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c(C)c1 1828985116 XLDXEGUDIKDIOW-HHHXNRCGSA-N 490.623 5.050 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c3n[nH]cc3c2)CC1 1829068755 PCTNBYFKYXGUIO-QHCPKHFHSA-N 450.627 5.097 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)CC1 1829287640 ILQWYWIJMPTOPR-VWLOTQADSA-N 461.606 5.343 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)c(OC(F)F)c3)CC2)C1 1829635389 WLOWNHGYJRKRGI-LJQANCHMSA-N 498.517 5.089 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829657446 PEJPWXKKDSUJJS-HXUWFJFHSA-N 487.012 5.094 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1830995676 ZNIXPCMHLCVEHY-XMMPIXPASA-N 474.992 5.240 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c1 1831482425 JDFCXPSVEWOATN-RQWPMFQCSA-N 461.650 5.373 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1831515781 UBXILSWWKTXHIQ-NDEPHWFRSA-N 471.645 5.052 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1)c1ccc(O)cc1 1831927177 OJFPKTVNNBZDHQ-AHKXTTOESA-N 499.655 5.007 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1)c1ccccc1 1832091018 AZACRWOZELDQSC-IHLOFXLRSA-N 499.699 5.448 30 20 JKED Cc1cc(F)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634234 RUQKIRIZFUIQJP-RXFWQSSRSA-N 461.581 5.308 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)cc1 1832785128 IPSHACAEQKBADS-SANMLTNESA-N 472.633 5.021 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CC2)CC1 1838735357 CPHOXRBWUKQXNS-PMACEKPBSA-N 494.598 5.106 30 20 JKED CC(C)[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc([C@H](C)C#N)c2)C1)c1ccc(Cl)cc1 1846829889 DFWOYAKLEFLRBP-NTKDMRAZSA-N 464.009 5.224 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1C 9803994 YCPYDFIZWDMATL-UHFFFAOYSA-N 482.613 5.294 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccccc2OC)cc1 10118209 GSOJKQXNAQQZRV-UHFFFAOYSA-O 460.406 5.903 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174130 CACPXWXCZGVQMF-UHFFFAOYSA-O 481.466 5.764 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)s1 10830421 YVBFTCGFUPHDLD-UHFFFAOYSA-O 498.480 6.984 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 11089492 XWCZVKKXDYHPFO-UHFFFAOYSA-O 483.057 6.005 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1C(F)(F)F)[n+]1cccc(O)c1)c1ccc(Br)cc1 11156745 URUOYTHBJFYBAC-UHFFFAOYSA-O 496.328 5.512 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)nnc1-c1ccoc1C 12056348 JTLQXOHHOZEQDG-UHFFFAOYSA-N 488.617 5.607 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18594546 QWSXUMTZVQSUIW-CQSZACIVSA-N 451.573 5.196 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccccc1OC 21141526 UBPCHTMOKIVRLE-LJQANCHMSA-N 477.634 5.249 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(C)c2)cc1 22732583 HOSUUJXUCVSTOE-UHFFFAOYSA-O 470.412 5.495 30 20 JKED O=C(CSc1nncn1-c1ccccc1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 24891360 IQAVXQONSOLDTC-UHFFFAOYSA-N 464.366 5.175 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12 32785757 FJUVLWWINVUYFO-VQTJNVASSA-N 456.615 5.566 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1nc(-c2ccccc2)cs1 46582224 KBHSLTWJTIZBFJ-SFHVURJKSA-N 475.574 5.511 30 20 JKED Cc1nc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)sc1SCC#N 71927529 BSHHUTPVNGXNTI-UHFFFAOYSA-N 461.366 5.269 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 104554727 FCHFBGMAOHTYQI-UHFFFAOYSA-N 465.868 5.351 30 20 JKED C=CCn1c(SCc2csc(-c3ccsc3)n2)nnc1[C@H]1COc2ccccc2O1 247997558 MYHBBDAUYDBBKV-GOSISDBHSA-N 454.602 5.454 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c2ccccc21 255935878 ASMGFKGQWNBHMX-UHFFFAOYSA-N 498.999 5.826 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 302933446 HPZSNALSLKFOEX-HXUWFJFHSA-N 499.914 5.010 30 20 JKED C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 303159592 GWOMKFPFDPKKPY-QGZVFWFLSA-N 454.555 5.402 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(Oc5cccc(C#N)c5)cc4)CC3)c2c1C 303296210 CANVRQONEYGIRP-UHFFFAOYSA-N 483.597 5.827 30 20 JKED N#Cc1cc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)ccc1F 409766394 KSCVDNPEPKMSMJ-UHFFFAOYSA-N 477.727 5.221 30 20 JKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 476508908 ILXPDYMUALBLSB-RUZDIDTESA-N 455.558 5.579 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)cc2F)c1 481740436 KLXRGCONGHHIBP-UHFFFAOYSA-N 467.504 5.474 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)OCCCO4)s2)c(C(F)(F)F)c1 487421012 ZXXJWEJAOHSEQD-UHFFFAOYSA-N 459.449 5.038 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)c1 490007389 WJIOURGIRXVNEY-QHCPKHFHSA-N 469.994 5.027 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)n2)cc1 499600114 KIXQYMKUWCFJNQ-INIZCTEOSA-N 454.433 5.677 30 20 JKED COc1ccc(Cl)cc1-n1c(S[C@H](C)C(=O)N(C)CCC#N)nnc1-c1cccc(Cl)c1 501628220 OBTMFPKBWNZKSU-CQSZACIVSA-N 490.416 5.102 30 20 JKED C=CCn1c(SCc2cn3cc(Cl)cc(Cl)c3n2)nnc1[C@H]1COc2ccccc2O1 503243422 CZIBASLOOKESFN-GOSISDBHSA-N 474.373 5.223 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 508392603 XIPAYNFSXXGEEZ-UHFFFAOYSA-N 484.537 5.107 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 509539515 HTOANAWXJGREAD-FQEVSTJZSA-N 477.605 5.909 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1Cl 510007707 WPFDQIXARJXUPU-JTHBVZDNSA-N 481.021 5.252 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(C(=O)c2ccccc2F)CC1 510857394 NPASYZREENEHKP-UHFFFAOYSA-N 472.520 5.178 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1Cl 511515717 LIWUSBYZXBWRJP-QHCPKHFHSA-N 478.379 5.779 30 20 JKED N#Cc1c(NC(=O)c2cc(Br)c3c(c2)OCO3)sc2c1-c1ccccc1CC2 512322619 LNQDKEDGAAZZKT-UHFFFAOYSA-N 453.317 5.129 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc12 513687170 NAYSIXPRIIRLNC-QGZVFWFLSA-N 462.987 6.208 30 20 JKED Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C(=O)N1CCCC1 513997945 XNPJQZNUXAXUPO-UHFFFAOYSA-N 470.548 5.476 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC(OCc4ccccc4)CC3)cc2Cl)cc1 517166126 DDUBSXCFCNDOED-UHFFFAOYSA-N 489.959 5.150 30 20 JKED C=CCN(C(=O)c1ccc(OCC(F)(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 517303854 VNIGNXSLKBDZDS-UHFFFAOYSA-N 463.437 5.492 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 517604481 UMSUKHIRLRTXSM-OAQYLSRUSA-N 453.567 5.767 30 20 JKED CC(C)Oc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 518461402 SRZMQBXTIJGPQS-QGZVFWFLSA-N 477.948 5.607 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(NS(=O)(=O)c4cccs4)cc3)cc2)cc1 519056633 CWEBCGKYRQNYPK-UHFFFAOYSA-N 489.578 5.394 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)c1 520188733 PBHGLQYUQWDZPY-IBGZPJMESA-N 479.627 5.751 30 20 JKED C=CCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 521316801 HRJFTFHJIPIJDU-KRWDZBQOSA-N 494.477 5.258 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 521326726 DJWQEBDNBWHSFE-OALUTQOASA-N 491.638 5.473 30 20 JKED C[C@@H](Sc1ncccc1C(=O)Nc1sc2c(c1C#N)CCCCCC2)C(=O)N1CCCC1 522393145 VMZKQZNWGZFYHV-MRXNPFEDSA-N 468.648 5.029 30 20 JKED Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CCCCC1 522486577 KFZMJQQPODZIPD-UHFFFAOYSA-N 468.557 5.011 30 20 JKED CCc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cnn1-c1ccccn1 524022547 RXBAUBSUNYGRLC-UHFFFAOYSA-N 482.491 5.020 30 20 JKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)c2)C1 553625467 KECCLMYQTJSADW-HYBUGGRVSA-N 486.620 5.176 30 20 JKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)c2)C1 553625469 KECCLMYQTJSADW-YKSBVNFPSA-N 486.620 5.176 30 20 JKED COc1ccc([C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c2ccccc2)cc1 590613821 XFOYUSHJOXLZQQ-MHZLTWQESA-N 456.590 5.418 30 20 JKED C=CCN(C(=O)c1cncc(-c2cnn(C)c2)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 595195708 PQXLDYUCGIAXKL-UHFFFAOYSA-N 470.385 5.745 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603756038 FOYMJLOLOYBVGP-UHFFFAOYSA-N 471.517 5.624 30 20 JKED Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1NC(=O)c1ccccc1F 603766064 MDIRXFVYBUEYLP-DEOSSOPVSA-N 497.957 6.948 30 20 JKED COc1cccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 603780888 SJBFAHPVORTCTC-DEOSSOPVSA-N 485.609 5.238 30 20 JKED C[C@H](c1ccccc1)n1c(SC[C@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccccc1 603840739 OIAVLXMBPRTVNL-HYBUGGRVSA-N 470.598 5.152 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4cc(Br)cs4)n3)cn2)cc1 603961975 RYIWQSKNFPBRRV-UHFFFAOYSA-N 497.399 5.874 30 20 JKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cn2)cc1 603987246 HYOOKGLWSVGIKM-UHFFFAOYSA-N 453.829 5.219 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 604006421 GUNZSDQOCMBJBQ-DEOSSOPVSA-N 455.389 5.559 30 20 JKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 604044230 FFDZAABXKJYSCG-HNNXBMFYSA-N 484.434 5.503 30 20 JKED CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604193314 DQAXWDJMHFOHHD-UHFFFAOYSA-N 462.893 5.173 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4ccc(Cl)s4)n3)cn2)c1 604395466 SMFJTJWNMFUSMR-UHFFFAOYSA-N 452.948 5.765 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CC1 604461822 CQVCJFFZKTXNOL-UHFFFAOYSA-N 497.477 5.589 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1Cl 604488458 BVUWKUXCGVVPAB-JOCHJYFZSA-N 491.378 5.428 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 604504420 WVXVTEGKBDFZTP-BQEUZBSESA-N 451.570 5.014 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 609064447 WTDJBXOOZLDGDM-UHFFFAOYSA-N 497.576 5.215 30 20 JKED CCOC(=O)c1cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)ccc1Cl 609165960 JFPHCTCALHRFPV-UHFFFAOYSA-N 493.972 5.371 30 20 JKED COc1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1OCc1ccc(Br)s1 609191958 MKKXUYAPBHGIMS-UHFFFAOYSA-N 465.413 5.500 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 609370818 ZYBAKRGDPFVNIL-AWEZNQCLSA-N 455.634 5.324 30 20 JKED Cc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)nnn1-c1ccc(-c2ccccc2)cc1 609408343 UKMFOLBENGMSPX-GOSISDBHSA-N 453.571 5.747 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)cc1 609413841 MZYNAXVDENMDMN-UHFFFAOYSA-N 490.006 5.161 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609434619 CUNJJKWFJQKIRY-QRWLVFNGSA-N 466.607 6.543 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 609435158 TYUWNICPVFMQAO-LJQANCHMSA-N 477.659 5.554 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 609435300 DRRDUNAVRVLMDP-UZLBHIALSA-N 461.006 5.832 30 20 JKED Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1 609435542 WHHRDDRMDOSLKH-QFIPXVFZSA-N 465.667 5.113 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc2ccccc2n1 613292681 PMYQXLMQLWOIHE-KRWDZBQOSA-N 460.287 5.333 30 20 JKED N#C[C@H](C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347403 ZRCCLRATIWQHRU-PKOBYXMFSA-N 473.381 6.165 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 614381358 GKURTONXAZKSBF-QGZVFWFLSA-N 463.921 6.140 30 20 JKED C=CCn1c(SCc2ccc(OC)c(OC)c2Br)nnc1-c1ccoc1C 614508180 SXKQVCVOXIEQBH-UHFFFAOYSA-N 450.358 5.105 30 20 JKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301594 SMMGXLOYXBQFHC-GHMZBOCLSA-N 456.333 5.142 30 20 JKED O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618463910 BNVNYEKFRHBSDL-NXEZZACHSA-N 497.301 5.476 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C1(c2ccc(F)cc2)CCOCC1 619553543 CNSMVGYOOWQEBP-UHFFFAOYSA-N 495.391 5.395 30 20 JKED O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619946549 MFBBTPMZRKHSFR-OKILXGFUSA-N 465.369 5.285 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 622584939 NUCGHEXNXKFXCP-HXPMCKFVSA-N 465.413 5.282 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1[C@H]1COc2ccccc2O1 677560806 XHHQFCYXBVBRDU-HXUWFJFHSA-N 466.950 5.577 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCCC3)C2=O)cc1 726409152 ODSFSZMOVCCJET-JOCHJYFZSA-N 495.004 5.317 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2ccco2)c1 726411570 JADZAKQYIJIQFU-FQEVSTJZSA-N 498.391 5.728 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)c1 726413609 UNDDUWWFCMCXRJ-NRFANRHFSA-N 485.531 5.590 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCC)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726572405 CMSDESSHXDDILA-UHFFFAOYSA-O 457.619 5.975 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc(O)c(C)c2)cc1OC 728230701 FRDPURAKCIENCY-WTKPLQERSA-N 481.932 5.285 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 728423172 POFFTQBYYSWWSS-OPAMFIHVSA-N 489.988 5.328 30 20 JKED O=C1/C(=C\c2cnc(N3CCOCC3)s2)CCc2nc(-c3ccc(Br)cc3)sc21 728438575 HTJWMLCXZUDSJD-KAMYIIQDSA-N 488.432 5.078 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCCCC#N)C1=O 728777226 JPUJIJLBDWICBM-FQEVSTJZSA-N 498.992 5.001 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)c1 730460323 XQFYNTXBVLSKED-HXUWFJFHSA-N 491.972 5.009 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)O[C@H](C)C2 730687926 QJUQSOZIEMDRDU-QOFIPBISSA-N 496.563 5.652 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C2SCCCS2)cc1 731064932 TYZLAXDVVOOMLU-INIZCTEOSA-N 472.657 5.745 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 731066440 NERVEQTYVCXCHW-KRWDZBQOSA-N 474.542 5.997 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 731074185 KGUHVDOTMWOXPB-UONOGXRCSA-N 483.442 6.050 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 731308322 NGPOECPXBMELAO-FDDCHVKYSA-N 474.586 5.126 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(CC)C[C@@H]2CCCO2)ccc1Cl 743912405 SYQJKHKCOJCYTL-FQEVSTJZSA-N 497.444 5.016 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cccc1C 746694954 AIMPJITZKPHTNR-OAQYLSRUSA-N 471.598 5.220 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746998945 GRBULUWAJBCAMF-QFQXNSOFSA-N 479.605 6.132 30 20 JKED CCOc1ccc(-n2c(-c3ccccc3Cl)nn(CN3CCC(C#N)CC3)c2=S)cc1 747078830 GZFVOHMDTMMHTP-UHFFFAOYSA-N 453.999 5.315 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2nccs2)c1 747599534 KFTLLVYFWHEKOJ-IBGZPJMESA-N 485.034 5.308 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnc1-c1ccccc1 749794071 OUBFWDQIESFTSX-CPJSRVTESA-N 481.625 6.302 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1 750394575 IFJQPZVAFBNWHQ-VGSWGCGISA-N 469.570 5.470 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1-c1ccccc1 750911212 OYNDCFUQBJAJQQ-RUZDIDTESA-N 481.577 5.150 30 20 JKED C=CCn1c(SCC(=O)OCc2cn3cc(C)ccc3n2)nnc1-c1ccc(Cl)cc1Cl 760844439 UTEGGIZHNCTJJO-UHFFFAOYSA-N 488.400 5.230 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 799221019 LCVPBKBDHGFKST-OAHLLOKOSA-N 477.842 5.141 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@H](C)c3cccnc3)C2=O)cc1 837301268 RMZIYFWVHQVVGU-WAIKUNEKSA-N 490.560 5.145 30 20 JKED N#Cc1cc(Cl)ccc1Oc1cccc(-c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)c1 856575624 HHEOZTYVMWZVDD-IBGZPJMESA-N 476.964 5.950 30 20 JKED CC(C)(C)c1ccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2Cc2ccco2)cc1 913055551 JWDCLZABAVFORQ-UHFFFAOYSA-N 486.645 5.788 30 20 JKED N#C[C@@H](C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1nc(-c2ccccc2)cs1 914527866 SNTKIWKTKOEKEA-INIZCTEOSA-N 496.415 5.326 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H](C)c2cc(C)sc2C)C1=O 914690806 FUOXQJOUYIFOFE-SJCJKPOMSA-N 483.631 5.508 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 915085048 DSHROAQKXIRISP-UPVQGACJSA-N 478.379 5.892 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 915085091 FZQDHCMDBCWUKB-IBGZPJMESA-N 464.422 5.938 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC2CCC2)c1 915111501 MQFAWDFQKKEWPQ-OAQYLSRUSA-N 485.009 5.059 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 915590094 IXIQNBSUYZVTKD-UHFFFAOYSA-N 499.951 5.205 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1 915749940 VWEQMFUZHXHWMN-HHHXNRCGSA-N 479.511 5.528 30 20 JKED COc1cc(/C=C/C(=O)c2ccccc2OC(F)F)ccc1OCC(=O)Nc1ccccc1Cl 916140153 CSSOUYUEZZKNNG-ZRDIBKRKSA-N 487.886 5.864 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)c1 916204296 BSNBLEXULPMKSI-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2ccccn2)cc1 916213004 WEBAMWHJCVDNCD-OAQYLSRUSA-N 498.530 5.569 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(C[C@@H]2CCCO2)C1=O 916216842 ZWJRBIVHIHCTRI-XUZZJYLKSA-N 495.645 5.232 30 20 JKED CCOc1c(Br)cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 916283829 VRCHDVSKXJAWAT-UHFFFAOYSA-N 498.402 5.485 30 20 JKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cccc(OCC#N)c2)c1OC 916411461 WWVFTQSGPOSKBB-HTXNQAPBSA-N 491.547 5.893 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3C(F)(F)F)s2)cc1Cl 916545001 YKNIMTUAYREFQS-UHFFFAOYSA-N 453.302 5.283 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1 916896468 IFMZHWKLVCRVOA-GOSISDBHSA-N 458.568 5.106 30 20 JKED COc1ccc2cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)ccc2c1 916905312 MPZKOQVLLCQFEH-UJFTWNBESA-N 462.505 6.001 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)n1 916909949 RLYRYKAHCPBTBH-JOCHJYFZSA-N 499.617 6.497 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916941881 BAYYIQLVXBWTFU-CQSZACIVSA-N 456.310 5.824 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916946171 MRNQZRMYFYXKNR-HXUWFJFHSA-N 470.287 5.346 30 20 JKED CSc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916975794 FQFUSJQKPVLNOX-BEFAXECRSA-N 468.003 5.415 30 20 JKED Cc1cccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)c1 917044745 UUWJDBCQYAOYRO-INIZCTEOSA-N 457.502 6.166 30 20 JKED Cc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704020 QKCNFEDJSIFJEV-QHCPKHFHSA-N 472.545 5.166 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 919863904 APRNAFPALFYOEE-UNOMPAQXSA-N 471.629 5.027 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)Nc1ccccc1Cl 920110177 ZJECECZCHPZIPW-IBGZPJMESA-N 471.900 5.229 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1 920234424 GUAOLEHHLVRHPP-RPWUZVMVSA-N 476.374 5.710 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cc(C)on2)c1 920354919 ILOZZCQGFYIZEL-OAQYLSRUSA-N 484.528 5.039 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2c(C)noc2C)c1 920355043 HIKNDBINMQFZRL-QHCPKHFHSA-N 492.601 5.023 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)C[C@H](C)C3)n1 921249909 LTNOVJHGLSBHIM-KVJWYBSDSA-N 497.576 5.749 30 20 JKED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCCc2ccccc2)C1 1783218561 SHSGRWMBTLKEAJ-RGODFAACSA-N 488.738 5.182 30 20 JKED C[C@@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785797798 NCXSUNZQVDTFAJ-FQEVSTJZSA-N 455.558 5.097 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4cc(Br)ccc4[N+](=O)[O-])CCC3)cc2)C1 1785804462 HMYXCEKNDROHOX-UHFFFAOYSA-N 498.377 5.000 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)CCC2)cc1 1785840970 UANVHQLTEHIAOR-NRFANRHFSA-N 469.626 5.122 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cc1F 1785952238 JXLCMFGAJRJIIX-ZRDIBKRKSA-N 478.545 5.083 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C(F)(F)F)cc2)CCC1 1786781287 NULLSMQBFVTBLS-UHFFFAOYSA-N 489.538 5.150 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CCc3nc(-c4cccc(Cl)c4)no3)cc2)CCC1 1786888915 LYRQTOOLWOHILB-UHFFFAOYSA-N 464.953 5.033 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cnc1C 1787009936 IRIJQUDXANNRAE-UHFFFAOYSA-N 458.949 5.285 30 20 JKED CC(C)Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)n(C)n1 1788364506 BUGYIJFWKKNKLG-HXUWFJFHSA-N 483.616 5.307 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3nn(CC)c4ccccc34)cc2)CCC1 1788368180 KUSMZGQWWVBQGB-UHFFFAOYSA-N 452.505 5.015 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)cc2)CCC1 1788728091 ALNZEPYSXPLRDO-QGZVFWFLSA-N 492.542 5.636 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1)c1ccc(O)cc1 1788879748 BHOQICNCTPQLHM-IBGZPJMESA-N 476.960 5.584 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)CC3CCN(C)CC3)CCC2)cc1)c1ccccc1 1789601771 BCXQEKBUYUITLQ-HHHXNRCGSA-N 471.645 5.050 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)CCC1 1790335464 WXEIZELSMZCYFB-ZHACJKMWSA-N 466.509 5.213 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790710406 KKLISMDVTJZLTD-DEOSSOPVSA-N 455.558 5.858 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2C1 1792075197 OZZHWDSHOWOBPI-FORWCCJISA-N 485.839 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(Cl)c(Cl)c1 1795588365 FRTCVZKPPMJPJJ-BJWYYQGGSA-N 453.410 5.003 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc(F)ccc3s2)c(Cl)c1 1798089737 VMJHLMCJFPSOKQ-BCDXTJNWSA-N 467.953 5.131 30 20 JKED CCCCCc1cccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/C(=O)c2cccs2)C3)c1 1799876543 FZUCDCNFCPKRTQ-HUBSCWNQSA-N 478.658 5.101 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@H]1c1cccnc1 1802502628 DIEITYNCOICKGV-UUOWRZLLSA-N 480.559 5.153 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1802503070 PSKHUARLKNDEGH-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1802504246 XBDCESSUDRKIEA-REWPJTCUSA-N 479.621 5.747 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1802631609 ZKSCWBGHTRBTNV-QEIWAGNOSA-N 480.608 6.078 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2c(F)cccc2Cl)[C@H]1c1cccnc1 1802847737 CFIBTBKIBGJQJU-NTKDMRAZSA-N 472.004 5.115 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2csc(-c4ccccc4)n2)C3)c1 1803679959 WGAJHGDWNDVPCP-OCYFJXFZSA-N 470.598 5.003 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c[nH]c4c(Cl)cccc24)C3)cc1C#N 1803841470 CEMUZHBZCFAMKY-ACDBMABISA-N 490.991 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(Cl)s2)[C@@H]1c1cccnc1 1804280336 SPBVISWMELDYSS-GCJKJVERSA-N 460.043 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CC2)C1 1805456432 XWRMHTWCYSOFRW-UHFFFAOYSA-N 486.616 5.436 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cncc(-c4ccccc4C=O)c3)CC2)C1 1805458515 NCLIMMQSQQLJET-UHFFFAOYSA-N 485.628 5.174 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1810171960 JHDSKJGIHYZDPU-UZINWLIJSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1810175596 LVDDBNVBITZHEB-MZKRTTBSSA-N 487.522 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1810502460 JDLAALVFDAOUDM-IXCJQBJRSA-N 498.671 5.801 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1811200617 GOMQJYWRIOLJEA-SHQCIBLASA-N 482.628 5.456 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811216790 BFMYHZIGYSHJIF-NTKDMRAZSA-N 493.394 5.202 30 20 JKED CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CCCCC1 1811874199 YGBZOTJYRJVZRI-NZQKXSOJSA-N 498.549 5.262 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1813869604 LBTKCJLICOAQKF-JKTXWULPSA-N 472.633 5.245 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)c2s1 1814738434 CWWONEXMOWCUEJ-HSZRJFAPSA-N 498.612 5.138 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1814823963 JTOOWKLUSPFHLB-QHCPKHFHSA-N 485.028 5.683 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2Cl)[nH]n1 1814824030 KMCICYRDAYXSJQ-NRFANRHFSA-N 458.965 5.205 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)[nH]n1 1814830180 RANMZXQOUNBZOF-DEOSSOPVSA-N 475.568 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815586862 VPQPHFJVPHFKQI-ZCYQVOJMSA-N 491.680 5.306 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1819367180 OJMFGYAXNYNORP-RPWUZVMVSA-N 488.588 5.081 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cc(Br)ccc3Cl)n[nH]2)C1 1821870167 NGQRFXFWOGEAPV-LJQANCHMSA-N 491.817 5.027 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1821929702 YKKZHSADGMXVAA-UGSOOPFHSA-N 479.806 5.344 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1 1822283362 XHWZTIATPNMBSB-QHCPKHFHSA-N 466.651 5.227 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)[nH]n1 1822584372 LWQRCZXMCSDUFP-FQEVSTJZSA-N 496.409 5.153 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)[nH]n2)c1 1823216723 AALXRBDMCRZADF-VLIAUNLRSA-N 497.386 5.358 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1F 1823218740 VXYHVMMBCHSJGX-GAJHUEQPSA-N 459.525 5.104 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)[nH]n2)cc1C#N 1823291527 XGQFYTHZPJZAQD-IBGZPJMESA-N 487.551 5.056 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823315504 OOUKZWQUZWTTQO-SCLBCKFNSA-N 479.806 5.344 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823648048 CRDODIRKVDFNCY-AUSIDOKSSA-N 479.646 5.321 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823679030 UXABOPAAQIESRA-OAQYLSRUSA-N 463.956 5.266 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1 1823752505 VSRUUECVMOIQNQ-QFIPXVFZSA-N 471.045 5.213 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1824141410 QBZPFQKILJGSAU-DEOSSOPVSA-N 497.083 5.552 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825574606 GAMWKJRONHFIRK-SANMLTNESA-N 463.597 5.248 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1826401594 SMUJFXTXBGHYSD-GDLZYMKVSA-N 479.624 5.382 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cn(C(C)C)cc3C(F)(F)F)CC2)C1 1827779211 MKLKTJVVSITGHR-JOCHJYFZSA-N 465.560 5.287 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4sc(C)nc4c3)CC2)c1 1828253771 OTUGXNOUYCGEII-VWLOTQADSA-N 486.641 5.332 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C(F)(F)F)CC1 1828823266 QQBCNHRFPUAJDZ-MSOLQXFVSA-N 469.573 5.164 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1828827384 MBCKFXAFZLCNLO-CLJLJLNGSA-N 477.649 5.037 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)COC2CCCCC2)CC1)c1ccccc1 1829029655 DXFOSOYMRALZKF-NSOVKSMOSA-N 478.677 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncsc2Br)CC1 1829066685 RHSBFULEDCDXSU-QGZVFWFLSA-N 482.488 5.131 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)c1Cl 1829687784 HBIPCARGSRRVBV-UPVQGACJSA-N 467.972 5.156 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)c2O1 1829952610 RPPJADKOFYMVBQ-AREMUKBSSA-N 485.628 5.209 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1830416528 UVBWHWYNWJBFJU-BKMJKUGQSA-N 490.648 5.091 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830539711 HMSHTSGPDHGGKC-HXUWFJFHSA-N 454.920 5.006 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1830557906 PHSBNWUXLSBTHE-AREMUKBSSA-N 491.607 5.340 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(OCC)c(Cl)c3)CC2)C1 1830660796 ITJCPBHKLCRBFY-QFIPXVFZSA-N 462.993 5.077 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)c1 1830766505 HNZMPHHVMBUUSK-QFIPXVFZSA-N 485.415 5.116 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831369926 IQLHPXAZDMQRAC-CVDCTZTESA-N 469.025 6.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 1833193627 RKEFJYFGFFQBIN-FQEVSTJZSA-N 474.089 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1835464278 XCPUDLDAUZATOL-DQEYMECFSA-N 486.100 5.008 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(CCCCC)cc3)CC2)CC1 1836663813 GVCBQKFGYHHTOR-FOCLMDBBSA-N 478.677 5.235 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)CC1 1836696854 GOQGPXMRLBGEGO-UHFFFAOYSA-N 487.644 5.129 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Br)ccc3s1)C2 1844202500 LWPBKTPDIDISCG-GOSISDBHSA-N 473.436 5.249 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(\S)Nc2ccc(OC(F)(F)F)cc2)c1 10174141 FSNFVMDODHMUBZ-UHFFFAOYSA-O 462.517 5.187 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccc(Cl)cc1Cl 10230919 QQFSBAGNFNHIKJ-UHFFFAOYSA-N 478.361 5.385 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(CC)cc2)c1C 10831490 VBKSLMMFTPPGMT-UHFFFAOYSA-O 485.029 5.362 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1[C@H]1COc2ccccc2O1 16726513 WZADGJADTRXZBH-MGPUTAFESA-N 470.982 5.058 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccc(OC)cc1 18324928 COTJELUCIOQDEI-CQSZACIVSA-N 491.598 5.551 30 20 JKED CCOc1ccccc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 21545605 PSKLJBZDNYNUNN-UHFFFAOYSA-N 454.577 5.068 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2-c2ccccc2)cc1 21680648 ZJAUYYSYYWXUGX-FQEVSTJZSA-N 483.597 5.370 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 23603578 HFXFFLARIDMRPF-UHFFFAOYSA-O 462.683 6.997 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc3c(c2)CCCC3)cc1 28793725 UJSVTFCZUMHSFJ-UHFFFAOYSA-O 476.622 5.060 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n([C@@H](C)COC)c2C)nnc1-c1ccc(Cl)cc1 33474821 TZEUNQCMHOIQRU-INIZCTEOSA-N 459.015 5.385 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nc3ccccc3c2=O)cc1 45619875 SWAZXPBQDCHSTI-UHFFFAOYSA-N 480.471 5.007 30 20 JKED CCOc1ccc(C2(CNC(=O)c3ccccc3Sc3ccccc3C#N)CCOCC2)cc1 60019324 FDGYUGPRMIRCLQ-UHFFFAOYSA-N 472.610 5.586 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 72066922 ICEGUACUYUJHFU-UHFFFAOYSA-N 473.916 6.239 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3cccc(Br)c3)s2)cc1 195747146 IGACXUNTDPNNDL-IRXDYDNUSA-N 471.405 5.207 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OCCC(C)C)cc2)cs1)c1ccc(F)cc1F 208900766 KJTSTDXDHXHRKS-XFFZJAGNSA-N 470.541 6.427 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 216009108 ULTYDLJVFPHNKL-INIZCTEOSA-N 466.931 5.985 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 303070904 XHCNQLYZWJLSFS-VWLOTQADSA-N 459.521 6.011 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)[C@H]2c2cccs2)cc1 303340839 YMBAHDLGZWTKHQ-DYRZZGSRSA-N 489.666 6.431 30 20 JKED Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)n1Cc1ccccn1 486016769 LIASOVLIROKWTD-UHFFFAOYSA-N 450.542 5.446 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C(F)(F)F)c1 501613629 NEIYEYSFIBZKNC-HNNXBMFYSA-N 463.529 5.217 30 20 JKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 503376158 NOKHXQCCJTXPEV-UHFFFAOYSA-N 480.568 5.804 30 20 JKED Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 503631810 ZNNHGMLBUODJIV-QHCPKHFHSA-N 459.977 5.336 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)nn2-c2ccccc2)cc1 504784976 GRCKVBNDIOZTHU-UHFFFAOYSA-N 461.572 5.181 30 20 JKED C=CCN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 505101752 AQDRPWKBQWPCSH-UHFFFAOYSA-N 469.595 5.952 30 20 JKED C=CCOc1ccc(C(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)cc1OC 505409008 MXIPROHAGFRPGQ-UHFFFAOYSA-N 484.902 5.422 30 20 JKED CCN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)[C@H](C)c1ccc(C#N)cc1 509585553 PREWTNQVOBCUJW-QGZVFWFLSA-N 457.496 5.039 30 20 JKED CCOc1ccc(CN2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 511355009 JTUBTEHYBWMLGJ-UHFFFAOYSA-N 484.600 5.080 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1cccc(Br)c1)c1ccc(C(F)(F)F)cn1 513186756 OACJIUKTESVZFE-GOSISDBHSA-N 475.264 5.932 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)cc1 516270228 QDTPHYNCPGBKGG-HXUWFJFHSA-N 490.466 6.378 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 519434404 ZOUIYHWBFLFXRS-UHFFFAOYSA-N 479.568 5.372 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 520148056 DCZZENMYWNLJTK-UHFFFAOYSA-N 480.659 5.208 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1c(F)cccc1F 520513747 PMEJFKYXOAYHAL-XXBNENTESA-N 467.903 5.480 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)c1 520600531 CAZMNPGXROOYPA-UHFFFAOYSA-N 454.530 5.039 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 520835279 GBCPSDRXBHHBHG-UHFFFAOYSA-N 485.413 5.563 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(C(=O)CC4CCCC4)CC3)cc2Cl)cc1 521699479 GISMYCUXHVJNAB-UHFFFAOYSA-N 480.996 5.650 30 20 JKED C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cc(OC)c(OC)c(OC)c2)CCC3)CC1 521757516 PXFRBZMRXYDVFD-LTGZKZEYSA-N 484.596 5.930 30 20 JKED C=CCc1cc(CNC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc(OC)c1OC 523304291 NIIWPEGPULTNTE-UHFFFAOYSA-N 472.010 5.517 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)c(C#N)c1C 590613395 STUQEVLEPJWQFY-UHFFFAOYSA-N 491.573 5.560 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 593021574 JIMZYPVBQYWSLP-HRLGVUPISA-N 481.383 6.111 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n23)cc1 594669438 SUOCLWPCXUDWEK-UHFFFAOYSA-N 473.602 5.245 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc2cc(C(F)(F)F)ccc2s1 596533286 DMSMDTXHTFEUEL-ZDUSSCGKSA-N 487.484 5.700 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1-c1ccc(Br)cc1 603623504 XIJVLHHJJPAZRX-UHFFFAOYSA-N 474.318 5.255 30 20 JKED Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1NC(=O)c1ccc(Br)cc1 603637201 JNBXFDFZTIWHTH-UHFFFAOYSA-N 480.387 5.684 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)c1C 603902125 CNZYAUSHDXFXPU-UHFFFAOYSA-N 460.603 5.167 30 20 JKED N#Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)sc2c1CCCCCC2 603996731 UQJDZRDBRQWHNF-SFHVURJKSA-N 473.545 5.123 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2)c1 604007208 XGLKWVOFKRZFCL-UHFFFAOYSA-N 459.855 5.860 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1COc1ccccc1 604023149 PTJLWXWSRWOCQB-UHFFFAOYSA-N 481.346 5.316 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3Oc3cccnc3)s2)c(C(F)(F)F)c1 604523249 NKRDLROFJCMEDW-UHFFFAOYSA-N 480.471 6.064 30 20 JKED CCc1c(C)sc(NC(=O)c2cc(Br)ccc2I)c1C#N 609033288 QFBJCBMSQFFGEY-UHFFFAOYSA-N 475.149 5.110 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 609072251 HQFPDMVEURBSOS-UHFFFAOYSA-N 497.624 5.881 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087564 WAQYSQZUSKJBGM-UHFFFAOYSA-N 486.959 5.040 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609107188 WUOCOLUGMRDJNQ-XMMPIXPASA-N 479.939 5.323 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 609404291 RTPTZIFYHWTTNY-IBGZPJMESA-N 461.509 5.403 30 20 JKED Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1 609430239 DSGHJZYEZXDZBY-GOSISDBHSA-N 465.600 5.442 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 609435371 KRGUOZQLAPLTPV-IBGZPJMESA-N 494.642 5.546 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)nnc1-c1ccccc1OC 613932709 JTXLVKIQWFAIGM-DEOSSOPVSA-N 480.609 5.419 30 20 JKED CCOc1ccc(NC(=O)C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 620291349 HZLYZTUMBWAVFU-UWVGGRQHSA-N 494.354 5.068 30 20 JKED Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3cccc(C#Cc4ccccn4)c3)nc2n1 626611748 ULCQGDGIVPPEHF-UHFFFAOYSA-N 490.592 5.081 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)n2)nnc1-c1ccc(Cl)cc1Cl 726147952 HYBNQMKFOWSSAG-UHFFFAOYSA-N 488.322 5.583 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(F)(F)F)C2=O)cc1 726405708 GDZQIHNTTZUBMK-QGZVFWFLSA-N 480.899 5.043 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)S/C2=N\[C@@H](C)c2cccs2)cc1 726414238 AHRDTSPURWBTRD-CWHVSTADSA-N 493.654 5.024 30 20 JKED COc1ccc(C(=O)/C=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1NC(C)=O 726428010 CRMJWITUUBLOHX-PKNBQFBNSA-N 476.485 5.046 30 20 JKED N#Cc1ccc(NC(=S)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc1Cl 726483077 NBZYAVQHDDTLAD-UHFFFAOYSA-N 467.853 5.813 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1C 726572098 RIGFFYQLZJSRMO-UHFFFAOYSA-O 475.037 6.318 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)n1 726618866 FCZYNEUMSVPTAJ-UHFFFAOYSA-N 471.608 5.228 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1cn(C)nc1-c1ccncc1 727780047 FQCQQWGCQVGQGI-YVMONPNESA-N 465.376 5.573 30 20 JKED CCOc1ccc2nc(-c3ccc(NC(=O)NCc4ccc(OCC#N)cc4)cc3)sc2c1 727934979 LKCWKQZKUUQLAH-UHFFFAOYSA-N 458.543 5.586 30 20 JKED Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 727983637 DXFPEHKFSUSTQJ-UHFFFAOYSA-N 451.482 5.543 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4c(cnn4-c4ccccc4)C3)cc2Cl)c1 728121995 SLJPOODMDIPDOR-UHFFFAOYSA-N 483.959 5.567 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C(/C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc1 728696317 QOQHCMMBZWGIHB-FEMWLQECSA-N 456.933 5.364 30 20 JKED Cc1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c(C)n1-c1ccc(C#N)cc1 729321591 HFMGHFNPHWDMCK-GOSISDBHSA-N 487.579 5.170 30 20 JKED CC(=O)Nc1cc(F)c(S(=O)(=O)Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 729481619 VJFMHNGMMAGTKR-UHFFFAOYSA-N 479.757 5.243 30 20 JKED C=CCc1cc(CNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc(OC)c1OC 729683543 YGMOLOWSQXABQX-UHFFFAOYSA-N 485.411 6.281 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1sc2cc(Br)ccc2c1Cl 729889642 RUDLORLQZVMQDY-INIZCTEOSA-N 483.774 6.432 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1 730717951 CSEWPQVZSDKIKA-XMMPIXPASA-N 484.581 5.551 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 730901430 CRJIKUNTLLQNEX-FQEVSTJZSA-N 471.435 5.233 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731059568 FFIMEECGFPNBAN-ZDUSSCGKSA-N 487.940 5.632 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 731065066 YQKFLOVFUSLDGK-QGZVFWFLSA-N 479.627 5.546 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731303867 CLFNAXPIFULRSR-NRFANRHFSA-N 499.514 5.572 30 20 JKED Cc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N\[C@H](C)c1cccs1 731311722 GYHDEYPEWPMBKD-NSJWOJMJSA-N 479.627 5.352 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 732526771 UYKLRTYBNSATCD-QHCPKHFHSA-N 485.748 5.357 30 20 JKED CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnnc2-n2nc(C)cc2C)cc1F 744747323 IODZLLUBBSNMPS-UHFFFAOYSA-N 498.566 5.134 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1 744999412 QXGVVTTUDUCHMJ-UHFFFAOYSA-N 484.585 5.050 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 746693989 HOLZIUGUCDAXPQ-QHCPKHFHSA-N 485.625 5.528 30 20 JKED Cc1ccc(-c2ncc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)s2)c(C)c1 747260645 MIAOBZMEVURAJQ-UHFFFAOYSA-N 488.569 5.154 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCCC#N 747473115 RGQCCZGVBCLTKQ-YBFXNURJSA-N 479.410 6.090 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(-c2ccncc2)n(CCC)c1=S 749245577 CVYAMTDBRFDICD-UHFFFAOYSA-N 476.419 5.433 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(C2CC2)C1=O 750913031 ZDJOHNCCJQSYNL-DEOSSOPVSA-N 471.582 5.485 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)cc1 799221241 JPNUMUOJULONLW-SFHVURJKSA-N 499.942 5.570 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1C 837401780 KSZAHBRSTJXBEO-CVDCTZTESA-N 458.587 5.420 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)c([N+](=O)[O-])c1 837537288 HOHMVIKWHWQWSF-VGSWGCGISA-N 489.557 5.020 30 20 JKED N#CCOc1cccc(Cc2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)c1 904669124 RWOKCVDSHLJYSY-UHFFFAOYSA-N 486.837 6.089 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)cc1 914909862 QDZPEXJFFKXEHW-QGZVFWFLSA-N 481.549 5.149 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)n2)cc1 915100396 PUHDVEYYQICWOZ-UYAOXDASSA-N 495.551 5.449 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2c[nH]c3ccccc23)cc1OC 915271184 NIYBYHMPVDRMDH-XFFZJAGNSA-N 490.943 5.752 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2F)c1 916204888 FIMKLAGKVXNVFS-JOCHJYFZSA-N 499.514 5.273 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(OC(F)F)cc1 916212108 SYXUWVKJUJGUGK-HXUWFJFHSA-N 489.544 5.251 30 20 JKED COc1cccc(/C=C(/CC(=O)Nc2cccc(OCC#N)c2)c2nc3ccccc3s2)c1 916411357 YHWOMDXAJMQSPJ-RGEXLXHISA-N 455.539 5.777 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)Cn1c(COc2ccccc2)nc2ccccc21 916559351 KWQRFMXMOGPFPX-UHFFFAOYSA-N 461.905 5.145 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847444 PFVRTWHRHZQXGG-KRWDZBQOSA-N 478.574 5.042 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1NC(=O)c1ccccc1F 916885936 ALUOEAHFCCLPNT-IBGZPJMESA-N 497.498 5.662 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cnn1-c1cccc(C(F)(F)F)c1 916887951 QHXDNMZVMNKOGR-KRWDZBQOSA-N 494.445 5.475 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1 916904465 DKVKUGGHPHLKKV-GOSISDBHSA-N 473.579 5.862 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928346 YQHLFUKHTQWIPH-WZIBOORMSA-N 461.654 6.026 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 916931007 MUJDLMPVQXTVKH-OAQYLSRUSA-N 455.489 5.263 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)n2)cc1 916975338 XWICKNMVNDUNRV-SLFFLAALSA-N 455.608 6.655 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)nc(O)c2C#N)cc1 917200768 IYJWCSNDSDUEBQ-QHCPKHFHSA-N 492.576 5.008 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 917507515 YWGNBOIDCUJPOL-CPJSRVTESA-N 460.555 5.233 30 20 JKED COc1cc(C=Nn2c(S)nnc2SCc2ccccc2)ccc1OCc1cccs1 917576224 SYIKWDPEVRYXMX-UHFFFAOYSA-N 468.629 5.390 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2ccc(F)c(Cl)c2)n1 917671434 YZZGXBPQWQAVEV-JOCHJYFZSA-N 496.995 5.021 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccnc(C)n3)C2=O)cc1 917671510 BZLNKHLRBXESFV-NRFANRHFSA-N 497.983 5.046 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3F)C2=O)cc1 917703490 NESOJUXHOWBZSA-QHCPKHFHSA-N 472.545 5.166 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 918544002 AMXKUFBFINYAMR-SZWCJKGDSA-N 489.041 5.302 30 20 JKED CO[C@@H](C)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1sccc1C)CC2(C)C 919594311 WHRCOEHIQWOILY-LFAOLKIESA-N 470.616 5.284 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 920105301 AWFMNFBXAZSHBQ-AEFFLSMTSA-N 482.367 5.227 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](OCC)C2)ccc1Cl 920226781 YXHYTJPNBYEHRV-FQEVSTJZSA-N 497.444 5.016 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)n1 920327198 ORLTUQJLWPYOSO-XLIONFOSSA-N 485.359 5.079 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2cc(C)on2)C1=O 920353113 BCJZLFJJPVFCJU-HSZRJFAPSA-N 492.601 5.241 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3c(c2)OC(F)(F)O3)[n+]2ccccc2)C=C1 920397280 RZUNTADPAOLCRC-UHFFFAOYSA-O 498.531 5.025 30 20 JKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cs1 920892165 JGQJLGBFAZHSNA-UHFFFAOYSA-N 499.596 5.579 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 921388190 BVIGSQFJKWRACB-HGBKYHTQSA-N 478.545 5.315 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC=CCC4)cc3)CCC2)c(C(F)(F)F)n1 1786075337 ICHDOAVBTYKTBR-MRXNPFEDSA-N 468.479 5.076 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)Cc3ccc4ncc(Br)cc4c3)cc2)CCC1 1786282650 QDGFQBAOCDNEDP-UHFFFAOYSA-N 478.390 5.250 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4ccc(Cl)c(F)c4)cc3)CCC2)cc1 1786327798 VPORAUXYNVGAQU-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COc3cccc(N(C)C)c3)cc2)CCC1 1786703969 SDVBLWPNFMIIBF-RUZDIDTESA-N 461.606 5.034 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)cnc1C 1787010194 UYCLTHVQFWXBJY-UHFFFAOYSA-N 493.489 5.045 30 20 JKED CCc1nn(C)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1Cl 1787127147 XQESXSUERMIZPT-KRWDZBQOSA-N 490.007 5.324 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c(C5CC5)c4F)cc3)CCC2)c(Cl)c1 1787166947 XBRVYTJCZLWVEB-UHFFFAOYSA-N 477.927 5.013 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cscn4)cc3)CCC2)cc(C(F)(F)F)c1 1787420216 QVGPYVXKLFOHQP-UHFFFAOYSA-N 470.476 5.095 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)c(C(F)(F)F)o1 1790288569 NXXMCBLOQJGACR-UHFFFAOYSA-N 467.447 5.540 30 20 JKED C[C@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1)Oc1ccccc1 1790524425 XGNLHRJGZIFDPE-HXUWFJFHSA-N 485.559 5.232 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccnc4)CCC3)cc2)cc1C#N 1792169628 SKCYATCMKGNXAF-AWNIVKPZSA-N 480.568 5.202 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1C(F)(F)F 1799588794 YAJANOCQWDBCHO-QDMKHBRRSA-N 488.403 5.429 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(ccc5ncccc54)s2)C3)c1 1800683587 DORWARIAXAWYHI-BCDXTJNWSA-N 484.556 5.026 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C)C2)C(F)(F)F 1801703854 KAUKWLNTSNUZHJ-BCDXTJNWSA-N 495.542 5.021 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)C2)c1ccc(O)cc1 1802415517 HJJAPIJXGSMZQW-JGDBTYLISA-N 476.661 5.134 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1803217863 HLBUIIMOFHULHD-TWJOJJKGSA-N 461.650 5.520 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 1803602798 FNJVJMLFDAKPEY-YSGRDPCXSA-N 499.986 5.028 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc4occc4n3-c3ccccc3)CC2)C1 1806062973 IQNCNVVOZSYTRP-DEOSSOPVSA-N 479.646 5.023 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)C2)CC1 1810245511 GRMAVRAGTICZSG-UHFFFAOYSA-N 481.040 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1810498288 LNHPQIISIDBSNJ-AVRDEDQJSA-N 467.660 5.670 30 20 JKED Cc1c(C(=O)N2CCCC3(CCN(C(=O)C#Cc4ccccc4)CC3)C2)[nH]c2c(Cl)cccc12 1810729171 SOEGSKMMRRREQW-UHFFFAOYSA-N 474.004 5.026 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1811420096 LBPAOMNMASXRLQ-RFEOYDEGSA-N 493.051 5.533 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811788190 JUNXKONBHHZDOU-BOCKYXSRSA-N 490.406 5.616 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)[C@H]2c2cccnc2)c1 1811796388 PEHGCTOBGIIYDK-BVAGGSTKSA-N 499.014 5.048 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1811955145 BDYYXBBFONHYKN-MHWRTBLVSA-N 480.612 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302655 BHPKNTHJDOZBAA-WXVAWEFUSA-N 495.623 6.293 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1)C(F)(F)F 1812683343 NGOCFQKUVNVDKP-DHLKQENFSA-N 493.529 5.495 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1812793118 YXWYQECHACDTBU-TWVZQSRDSA-N 453.671 5.542 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)CC1 1812897883 AZPJUMPTMBKVEE-FCOWVFLDSA-N 478.036 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2SCC)n[nH]1 1814355116 VGTJVAWLAUNFPU-IBGZPJMESA-N 455.628 5.215 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[nH]n2)C1 1814394250 LFRHVIBLDFRSSJ-HXUWFJFHSA-N 464.953 5.595 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2Br)n[nH]1 1814613994 ZQLGILSRWXEJJL-JXFKEZNVSA-N 489.389 5.386 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1815206681 RCOBHICLPMGPGT-OAHLLOKOSA-N 471.410 5.067 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CC(C(F)(F)F)(C2)C3)n[nH]1 1815345430 QGMGUKRYOOOMOX-NYYVNYEXSA-N 452.521 5.127 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818605698 VNPGEZLFSGNUMT-YWZLYKJASA-N 451.958 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)[nH]n1 1819552773 ALJVMXROBJXVLT-OAQYLSRUSA-N 473.017 5.299 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(F)(F)F)ccn2)n[nH]1 1819859679 FABQFXYSGVPIPQ-SFHVURJKSA-N 463.504 5.122 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3SCc3ccccc3)n[nH]2)C1 1820002577 HNDDVAWGAAMGJQ-QHCPKHFHSA-N 487.629 5.369 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c4ccccc4n4ccsc34)n[nH]2)cc1 1820099606 VPJXBSLOZVMQHJ-JOCHJYFZSA-N 494.580 5.368 30 20 JKED COc1ccc(F)cc1-c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC#N)[nH]n2)c(Cl)c1 1820226266 YOVQHXAAXIBDPD-OAQYLSRUSA-N 495.942 5.097 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820435277 FODHWOVJHBRXHB-QFIPXVFZSA-N 476.602 5.427 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)[nH]n2)cc1 1820554336 XSTBKSCAGVLZNF-FQEVSTJZSA-N 485.441 5.059 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821180375 SKOGRFMWVOQPCC-HSZRJFAPSA-N 487.629 5.191 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4c5ccccc5n5ccsc45)sc3C2)c1 1821191914 XUVNMCXGQIVWRX-QGZVFWFLSA-N 497.605 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cncc(-c3ccccc3C=O)c2)n[nH]1 1821728285 RMZYVCQMATXOHD-ZEQKJWHPSA-N 497.599 5.359 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1821918763 NNPBQPCDDDAZMW-UTKZUKDTSA-N 458.990 5.127 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccccc3Br)CC2)[nH]n1 1821922787 AKLJJKIFNFIGJJ-OXQOHEQNSA-N 485.426 5.108 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[nH]n1 1821987946 FAOQBKYYJZBJMR-SFHVURJKSA-N 496.480 5.364 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cncc(C(F)(F)F)c2)n[nH]1 1822657135 PVDZRTXUHWHYOU-CTNGQTDRSA-N 489.542 5.217 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CC[C@H](C)CC3)n[nH]2)cc1C#N 1822945784 UJBZUNITYXDRAS-DNVFCKCGSA-N 477.609 5.201 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3csc4c3CCCO4)[nH]n2)c1 1823212951 QSJMUMPQQIOTJC-KSFYIVLOSA-N 489.601 5.043 30 20 JKED O=C(CCCC(F)(F)F)N[C@@H]1CCc2nc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)sc2C1 1823293063 YUXCHWDNPGRZHL-CYBMUJFWSA-N 497.436 5.259 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)cc1 1823671425 PVCBYUDZLHDTDF-HSZRJFAPSA-N 499.442 5.126 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3C)CC2)c(C#N)c1 1823911605 DYVBJFDLYQTRBW-SANMLTNESA-N 494.035 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 1824030519 CKMAPJINVWNMDI-ZNZIZOMTSA-N 452.614 5.317 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1824048885 NWJPSSUATHPMMS-QFQXNSOFSA-N 452.639 5.187 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1825097424 WYIWJVUCKGVBRW-SQHAQQRYSA-N 461.650 5.407 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)CC1)c1ccccc1 1825367121 KOWWDOCHNASYCW-VWNXMTODSA-N 496.026 5.305 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCCCC3)CC2)ccc1Br 1826282051 BNSFKYIIHHUOKV-QHCPKHFHSA-N 486.454 5.134 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1)C(F)(F)F 1826781538 REEQNYQJKVEAHT-TWDDROGUSA-N 489.582 5.103 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1827333654 XDEIVBBCFNIITF-MUUNZHRXSA-N 492.623 5.476 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683568 DNLIBELMYHZQTH-ZJVMWOEPSA-N 485.049 5.382 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cs2)CC1 1827718733 MXOGFVJUVIFSAB-HXUWFJFHSA-N 479.484 5.512 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1828828460 KNWYEQZRDFQNFI-FYYLOGMGSA-N 451.636 5.298 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c1 1829974655 YPOIWZZJFXUVIV-DFBJGRDBSA-N 464.009 5.514 30 20 JKED CCCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)cc1 1830105180 CEOCARMIXSWJKP-HHHXNRCGSA-N 473.617 5.066 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830360256 IOZGVCZCMYYGBC-NBGIEHNGSA-N 455.618 5.076 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4sccc4c3O)CC2)cc1 1830958900 IWAYOYKKUFUQTF-XMMPIXPASA-N 487.625 5.220 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc4c(O)cccc34)CC2)c1 1831021934 JQCKWKJHDIULQC-RXFWQSSRSA-N 496.611 5.115 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1831441683 ADPQVRSQZSGTCM-OAQYLSRUSA-N 463.956 5.266 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1831447525 WJZRNMMLDVSIDR-NRFANRHFSA-N 482.999 5.572 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCn2cccc2)CC1)c1ccccc1 1832267643 YUWGFJBEFKHMKK-VSGBNLITSA-N 473.661 5.085 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832629597 URDUYTBIWNAJQP-HRFSGMKKSA-N 474.649 5.125 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c1 1832633225 GUXVLEPGKHNSCS-MVOZIGHISA-N 471.645 5.741 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc(F)c3F)CC2)c1 1832634716 UGKZHSYFUILQGF-UQBPGWFLSA-N 479.571 5.068 30 20 JKED Cc1cccc2c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)n[nH]c12 1832635036 ZKZOFHGPPXGILD-NBGIEHNGSA-N 483.616 5.046 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832713514 UKPVBNDWELFEBX-HXUWFJFHSA-N 473.441 5.285 30 20 JKED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2)c1ccccc1 1844336572 XIKJHPHBCCBUDY-DEOSSOPVSA-N 491.591 5.442 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 10174499 KRXDKIIXWICORR-UHFFFAOYSA-O 486.060 6.832 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1cccc(Br)c1 11085151 MQRITBLLRQPFIF-UHFFFAOYSA-O 480.451 5.839 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 11089452 WQQLDMGXEDGOEJ-UHFFFAOYSA-O 468.986 5.766 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113296 RKTMBFCRXBMBPR-UHFFFAOYSA-O 494.559 5.684 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2CC)cc1 11253019 XRNTXEJSCZCDQB-UHFFFAOYSA-O 473.618 5.253 30 20 JKED C=CCNc1nnc(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)s1 11393316 PNMLIJXXTPLFDP-UHFFFAOYSA-N 466.057 5.840 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(N(C)C)cc2)c(Cl)c1 15248237 NSXSWCHXEVOEPT-UHFFFAOYSA-O 484.001 5.269 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(Nc2cccc(Br)c2)s1 16543304 JFBLNGSOCZDFBJ-UHFFFAOYSA-N 492.449 5.391 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2sc3c(c2c1=O)CCC3 16715634 NDFJNFGPCRYBPH-GFCCVEGCSA-N 479.549 5.271 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccc(F)cc1 16813546 LANCDLXXTPMUAL-HSZRJFAPSA-N 474.561 5.751 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 17710958 KUEWHGRIADJFLU-INIZCTEOSA-N 490.589 6.240 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(=O)oc2c(C)c(C)ccc12 21367063 QPGRKNFPWQIOAF-UHFFFAOYSA-N 451.523 5.198 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)cc12 21686345 SPSYVHIVAAKAMH-GOSISDBHSA-N 490.560 5.086 30 20 JKED C=CCn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccc(Br)cc1 21927398 STTHTMMZHMXKJH-UHFFFAOYSA-N 499.221 5.326 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 22061834 PIDHRLOBJBXXKE-UHFFFAOYSA-N 454.405 5.260 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 22800155 XPTNBIVKLVHTDE-UHFFFAOYSA-O 484.016 6.095 30 20 JKED COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 23341367 PQQGALNKKNDLKC-QGZVFWFLSA-N 467.620 5.335 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccoc1C 24703586 NQJSPXNWNUCHMF-AWEZNQCLSA-N 469.567 5.414 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)ccc1Cl 105356173 JFKWDEZHNDTTLF-UHFFFAOYSA-N 489.959 5.029 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)c4cccc(OCc5ccccc5C#N)c4)CC3)c2c1 108867382 OZMQCVKLFSXMQC-UHFFFAOYSA-N 465.553 5.647 30 20 JKED O=C(NCCSCc1ccccc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 478558783 JKBWNPFUIMTFAX-UHFFFAOYSA-N 491.432 5.712 30 20 JKED O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cnn(-c2ccccc2F)c1C(F)(F)F 486324526 SHYLBEYYVGCLLE-UHFFFAOYSA-N 490.360 5.791 30 20 JKED CN(Cc1ccc(F)cc1F)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 494023604 RTRNJUDHEBIWIE-UHFFFAOYSA-N 457.317 5.119 30 20 JKED N#Cc1cc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)ccc1OCC(F)(F)F 498316776 JCZCNNFXUGPXKS-UHFFFAOYSA-N 494.267 5.488 30 20 JKED C=CCn1c(S[C@@H](C)c2ccccc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 501425886 QFSSSENTLDQXIX-SFHVURJKSA-N 456.637 5.015 30 20 JKED CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 502869978 YGBFKLDINSAKBI-UHFFFAOYSA-N 491.956 5.070 30 20 JKED C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 503098702 BZWVTBWRHOIBGH-BJKOFHAPSA-N 488.634 5.690 30 20 JKED CCCC[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1cccc(N2CCCC2)c1 509094526 AQEIMOHOYPIKAR-NDEPHWFRSA-N 480.612 5.753 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510663878 GYLYHZSBNMSSHN-LJQANCHMSA-N 492.601 5.264 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)N1CCCCC1 511461505 VPJZWOGHDFJWCV-SANMLTNESA-N 497.599 5.168 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 514800437 RNACEZCPNUHVQE-AREMUKBSSA-N 489.044 5.706 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 515149291 ZZQPVMIITVHSJI-QFIPXVFZSA-N 484.987 5.509 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1ccc(Cl)cc1 515598933 NPJBNTVFHIYSQG-UHFFFAOYSA-N 453.011 5.703 30 20 JKED Cc1cc(C)cc(Oc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)c1 515740735 GOUZEZBFNIGMOV-UHFFFAOYSA-N 489.597 5.007 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC 516748117 QLGQMSFPWWPORF-UHFFFAOYSA-N 454.523 5.150 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl 517422796 HFCZVNFPGGGQHL-QFIPXVFZSA-N 498.936 6.264 30 20 JKED C=CCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 518173673 PVCCALOTQHXOFI-UHFFFAOYSA-N 465.922 5.390 30 20 JKED COc1cc(CCC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc(OC)c1 518255398 BMVXBTOUMHRQHT-IBGZPJMESA-N 467.635 5.975 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 519889956 YJUAZVZKQQTILK-OAHLLOKOSA-N 450.507 5.591 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 520130982 BCBBKJKADNXISZ-UHFFFAOYSA-N 474.605 5.024 30 20 JKED O=C(Nc1ccccc1C(F)(F)F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 520437558 YYGMAADIWADHPY-UHFFFAOYSA-N 461.280 5.840 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 520941408 MSNWTWWRNSGZFI-IBGZPJMESA-N 468.586 5.650 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(Br)c2)cc1 523647114 IGIUHDOELMWJIR-UHFFFAOYSA-N 452.327 5.372 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3 551396027 ZMJCIFSFUCTTFR-UHFFFAOYSA-N 484.581 5.216 30 20 JKED C=CCN(C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 596339654 BRZMMLIUMAMIPA-GOSISDBHSA-N 481.585 5.720 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2n[nH]c(COc3ccc(Cl)cc3)n2)c1 597863949 IZPPBLYJBCZHBV-QGZVFWFLSA-N 469.998 5.081 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)s2)cc1 603670415 LCALQQJRXYOZRP-UHFFFAOYSA-N 456.571 5.855 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)cc1 603712488 HPBZGOCSEQKILT-UHFFFAOYSA-N 480.612 5.005 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2cccc(Cl)c2c1Cl 603738896 ZFFZRXKBHALWCH-UHFFFAOYSA-N 454.338 6.828 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3SCc3ccco3)s2)c(C(F)(F)F)c1 603757694 HZSSOFVMDIEJFC-UHFFFAOYSA-N 499.539 6.762 30 20 JKED N#Cc1c(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)sc2c1-c1ccccc1CC2 603991906 GJOXLMRKQRPGCW-UHFFFAOYSA-N 458.518 5.536 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604257502 GGAIRHCYTUVFSZ-GJZGRUSLSA-N 458.427 5.912 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604499614 HUBNCOJXXXVIRM-UHFFFAOYSA-N 455.287 5.311 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 604502441 JABRZPLZJGDBML-UHFFFAOYSA-N 476.964 5.169 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1cccc(C(F)(F)F)c1 608923870 PKWOXMSXDQLGPI-HXUWFJFHSA-N 461.484 5.230 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1CCN(Cc2ccccc2)CC1 609078831 ACDYUQREIWQMEN-UHFFFAOYSA-N 468.601 5.479 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc(C)nc21 609174638 QYXYAFHSXRSXKN-DFBJGRDBSA-N 453.546 5.284 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 609381320 AHKXAVQOIBJQPV-NRFANRHFSA-N 482.378 5.333 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cccs2)cc1 609400263 UZPMACCOYRHFQV-KOSHJBKYSA-N 477.655 5.797 30 20 JKED C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Oc2ccccc2)c(F)c1 609421208 ZSZCWCHGHOATFZ-HXUWFJFHSA-N 459.521 5.522 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 609428666 RRFGCSVQIZYKHA-SFHVURJKSA-N 454.555 5.091 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 609439816 ZLDUVTHDDFDPFS-HNNXBMFYSA-N 463.525 5.132 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc2sc(-c3ccccc3)cc2c1=O 613900685 XKXLREZZPKUQIU-MRXNPFEDSA-N 493.576 5.204 30 20 JKED C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619385823 LFXWWRQCWQGWTL-UTUOFQBUSA-N 466.344 5.245 30 20 JKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 661573996 GTTWKSPOWCRXOT-SFHVURJKSA-N 453.011 5.328 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C2CC2)nnc1-c1ccc(Cl)cc1Cl 685632612 TUJNKDRIEHQBAE-LJQANCHMSA-N 479.458 5.859 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S/C2=N/CCc2ccccn2)s1 726108937 NKOYBQVOFYGNLQ-BVIVVYHISA-N 496.633 5.223 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726392856 KTOIVGCSSGYBHF-FPOVZHCZSA-N 488.535 5.042 30 20 JKED O=C(C[C@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 726398087 AJSCSNFHLHLNES-VLKBHEQSSA-N 489.441 5.097 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc(Br)cnc2Cl)cc1 726504076 RWIXURSGPLHWMD-UHFFFAOYSA-N 458.718 5.351 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1c(C)nn(CC)c1C 727252188 SQOBTCKPKDNUIZ-XMMPIXPASA-N 489.645 5.243 30 20 JKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)N1CCOC1=O)c1nc(-c2ccc(Cl)cc2)cs1 728412840 XUAXGFGDDPHSHR-AZUAARDMSA-N 451.935 5.223 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3scnc3C)C2=O)cc1 729141580 CYHOJSJWSUAKOV-FQEVSTJZSA-N 498.605 5.150 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)cc1C 729142216 HTUCCQJBPRXBNZ-FQEVSTJZSA-N 482.606 5.368 30 20 JKED CCOC(=O)Nc1ccc2c(CNc3cccc(Oc4ccc(C#N)cc4)c3)cc(=O)oc2c1 729676573 OJBZBNYQGHERDI-UHFFFAOYSA-N 455.470 5.637 30 20 JKED Cc1nn(C)c2ncc(/C=C3/CCc4nc(-c5ccccc5Br)sc4C3=O)cc12 730436038 JUSXZZMPTRSRBN-ZROIWOOFSA-N 465.376 5.375 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CCC1 730459403 ITVPXPCKMJZLGQ-IBGZPJMESA-N 472.408 5.270 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OCC)cc2)N(C2CCC2)C1=O 730461886 TZWUTUYHOFQQQZ-HSZRJFAPSA-N 481.618 5.387 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3\Cc4ccc(C)cc4C3=O)cc2OC)cc1 730949116 SJOSZFVCWASJFK-KGENOOAVSA-N 457.526 5.242 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 731030462 QXXFVJWCNINPBQ-CYBMUJFWSA-N 462.449 5.224 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C 731287592 GUFILBIAEARNGI-QHCPKHFHSA-N 459.509 5.238 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c1 731308695 MDSCKAIGNHJZRR-UZUQRXQVSA-N 477.586 5.139 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(C)c2)c1 731309297 VNDYIIKVYYYVGW-HSZRJFAPSA-N 493.560 5.009 30 20 JKED CC(=NNC1=NC(=O)/C(=C/c2ccc(N(C)CCC#N)cc2)S1)c1cccc2ccccc12 733783004 OQXXLMZMTHJCER-BBGLMMETSA-N 453.571 5.174 30 20 JKED N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)C(=O)Nc1ccc(SC(F)F)cc1 743449356 OCEPDVNFQVEOEL-AWEZNQCLSA-N 473.328 5.815 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@@H](C)c3ccccn3)C2=O)c1 743526199 OQTBDZJCEPRDRQ-SBUREZEXSA-N 492.576 5.259 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccc2C(F)(F)F)C1=O)NC1CC1 745585688 ZTQAJPODEZXUAV-GOSISDBHSA-N 481.927 5.159 30 20 JKED CC(=O)NCc1ccc(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)cc1 745867837 NYFIRTKKPVXNLO-XMMPIXPASA-N 488.569 5.157 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c1 747598522 CANCPXKIBAZZCX-HXUWFJFHSA-N 468.579 5.060 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1 748987568 ASUFRVLWOUPDFA-ZEQRLZLVSA-N 476.374 5.710 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccccc2SCc2ccccc2)CC1 748988000 OQVPYWXZHMFKLJ-UHFFFAOYSA-N 479.609 5.753 30 20 JKED CC(C)(C)c1csc(C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)n1 750066314 DRCCDVSLWUNIIL-UHFFFAOYSA-N 456.681 5.461 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1 799218196 ZFONQYQETILJNG-KRWDZBQOSA-N 466.777 5.240 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc(F)c(Cl)c1 837537039 FVRQKGVQFATJLK-HXUWFJFHSA-N 468.941 5.035 30 20 JKED CC1=C(C(=O)OC(C)C)[C@H](c2cn(CCC#N)nc2-c2ccccc2)NC(=O)N1Cc1cccs1 840195913 FZYDPTQHGNGPFR-DEOSSOPVSA-N 489.601 5.017 30 20 JKED Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 883977991 CRJISLTYTRPLJB-STQMWFEESA-N 490.391 6.340 30 20 JKED O=C(Nc1ccc(SC(F)F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 884003920 UKYMAQPBRMBZGW-UHFFFAOYSA-N 481.368 6.477 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 893729852 IPADPUBMGVJADB-OYOOSTQNSA-N 468.022 5.163 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 915786716 IPNDDSJRTWPGTC-SXOMAYOGSA-N 463.512 5.325 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2ccc(F)cc2)n(Cc2ccccc2)c1=S 915795711 HNADWWAPKYOCME-UHFFFAOYSA-N 458.566 5.037 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(C[C@H]2CCCO2)C1=O 916216843 ZWJRBIVHIHCTRI-ZJSXRUAMSA-N 495.645 5.232 30 20 JKED COc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCc1ccccc1 916283582 IUYTYOQSLUTZMC-UHFFFAOYSA-N 481.577 5.903 30 20 JKED O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1 916286053 XYZLIQZPEQPZSA-UHFFFAOYSA-N 477.468 5.020 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2)cs1 916908912 OOKNBOCNWUXMKU-HSZRJFAPSA-N 483.549 5.784 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 916914078 UYNWATAHPAOHCI-QFIPXVFZSA-N 490.357 5.225 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 917026568 HVFOTDPHTSHKIG-RTBURBONSA-N 468.376 5.016 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 917026728 NJSDQYGTEIOUMM-SFHVURJKSA-N 450.361 5.781 30 20 JKED N#C[C@H](C(=O)CCSc1ccccc1Br)c1nc2ccccc2n1C(F)F 917042603 GWIBPMKEFMBXFN-GFCCVEGCSA-N 450.308 5.553 30 20 JKED N#C[C@@H](C(=O)CCc1ccccc1Br)c1nc2cc(C(F)(F)F)ccc2s1 917045142 YAIKBBBNJCYOAT-ZDUSSCGKSA-N 453.283 5.887 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C(=O)c2nc3ccccc3s2)c2ccccc2)cs1 917559323 IBKIAJBGSQMCNZ-JCMHNJIXSA-N 499.592 7.000 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C3\SC(=S)N(c4ccccc4C#N)C3=O)c2)cc1 917645030 REWWZPSTVOCRGV-HMAPJEAMSA-N 471.563 5.225 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1 917664132 IQNNSWCWFYBLCV-IBGZPJMESA-N 457.527 5.187 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 917668955 NIMVASXHHAVIBZ-CYFREDJKSA-N 487.629 5.178 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](c2ccc(Br)cc2)C2CCC2)C1=O 917673984 LFCLJUVLWRJEIK-PZJWPPBQSA-N 486.435 5.058 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1Cl 918015563 RYTCOVHNTCLMTR-NRFANRHFSA-N 494.407 5.609 30 20 JKED CC(C)(C)OC(=O)N1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 918036967 GNSSKRHENUZUSI-OAQYLSRUSA-N 468.985 5.470 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 919883376 COUWXTZMNSXNSU-FQEVSTJZSA-N 496.032 5.357 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 920139400 SYGMAEXENHGPKJ-DNQXCXABSA-N 481.577 5.556 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cc(C)on2)cc1 920358161 YVUFVKWFDNBMBU-HSZRJFAPSA-N 494.592 5.625 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(OC)ccc2Cl)c1 920815704 GGGQUYMKGGMHGK-UHFFFAOYSA-N 491.396 5.636 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(Cl)cc2Cl)C1 1781678250 VZWIECAHOQIQSP-POGFHVCPSA-N 493.475 5.208 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1786366119 LXVALQZFXSGOHP-UHFFFAOYSA-N 465.981 5.552 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CCC2)cc1 1786370801 CIMDTHBFGQMWEB-KRWDZBQOSA-N 478.980 5.069 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1786374197 KGDGTODCKRWAAF-HXUWFJFHSA-N 455.558 5.087 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1 1786395084 PPCKZHCWCLNEGW-HSZRJFAPSA-N 491.613 5.234 30 20 JKED Cc1noc(C)c1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1786911793 UOIUHZQONRNGGS-GOSISDBHSA-N 470.573 5.299 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4coc(Cl)n4)cc3)CCC2)ccc1Br 1787108312 BRBMMKZUTPXHFY-UHFFFAOYSA-N 499.752 5.024 30 20 JKED Cc1cc(C)nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1788351581 BMMFCJFYKMSXQZ-LJQANCHMSA-N 452.558 5.387 30 20 JKED Cn1ncc2c(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5Cl)CCC4)cc3)cccc21 1789088587 DSIGGETWMBNSPV-UHFFFAOYSA-N 483.959 5.160 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789507478 CUKSNMJDYMTUMP-UHFFFAOYSA-N 454.687 5.154 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)c(O)n1 1790119452 LVCDGIKSTBGSSB-UHFFFAOYSA-N 494.473 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790549124 LVTUWNANVYRFFZ-GGAORHGYSA-N 483.653 5.582 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4cccn4)cc3Cl)CCC2)cc1 1790567884 QPHOGLLCKINHSK-GOSISDBHSA-N 493.995 5.074 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3-c3ccccc3)CCC2)cc1 1790568169 NYIODYSFQGQKDH-IBGZPJMESA-N 474.561 5.199 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncccc5c4)CCC3)cc2)cc1 1790707038 BPZAFBUDDFGXOM-UHFFFAOYSA-N 460.537 5.362 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791731747 HIQDOLHHZSIAPJ-GOTSBHOMSA-N 481.637 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5cc(Cl)ccn45)CCC3)cc2)c1 1792123702 PFMJADYDOMPXBJ-SFHVURJKSA-N 497.986 5.676 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)cc1Cl 1792240493 CJECIQAICMPRJD-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)c1 1795833151 PMIADYLBGZOLQS-FTQMAWMCSA-N 497.517 5.177 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c3ccccc3n3ccsc13)C2 1798420736 QUXWZVKWIZXFHO-WKCHPHFGSA-N 491.733 5.457 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(Cl)cccc2Cl)cc(C(F)(F)F)c1 1799549065 MVIDLXOEMLLBJN-BJWYYQGGSA-N 496.316 5.449 30 20 JKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(c2ccnc3ccc(F)cc23)CC1 1799884561 YVLGEWBQHLWQLE-SYJHRWSASA-N 463.597 5.252 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)c1 1800682108 FMKVHTRFGWSYRT-LGJLXVPLSA-N 494.010 5.577 30 20 JKED Cc1ccc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)C4)sc2c1 1801085375 PGBSAXDPIVFROI-WKCHPHFGSA-N 497.542 5.666 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)[C@@H]2c2cccnc2)C1 1802412339 KREJNSSBLBGXAT-RBJSKKJNSA-N 465.597 5.343 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1803092240 ULSLXQRVJVHWFN-XUZZJYLKSA-N 496.449 5.241 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2F)[C@@H]1c1cccnc1 1803980860 YLBVWFOOONBFAQ-UTRDGYRGSA-N 467.560 5.071 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(Cc3cccc(F)c3)c2)cc1 1803992579 SVBLZHGJFFJMNG-OUOZDZGXSA-N 481.571 5.048 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)C1 1804865426 TYKLYMXJRVNEFD-UHFFFAOYSA-N 452.426 5.226 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)oc2ccccc12 1809169095 FKGNWVGTZRSHCT-SZJUTTIESA-N 492.579 5.397 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ncsc23)[C@@H]1c1cccnc1 1809964136 TYGIFWUOIAUMIH-KNQAVFIVSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1810174905 QQJRLKZXPQPYGY-MDNUFGMLSA-N 487.522 5.068 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)s1 1811424041 FWLPTVCWDITFQV-NKOIWJIPSA-N 491.016 5.010 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c(Cl)c1 1811748773 BADYAHQWSDRMOK-CEWJISETSA-N 477.008 5.063 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1812667416 GZQPTLNKVCVMJF-UZLBHIALSA-N 489.975 5.481 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1812671465 BZXDAXGPGUVUNL-UZLBHIALSA-N 482.358 5.228 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)s1 1813371346 VASRMVUCFSRXNL-NKOIWJIPSA-N 491.016 5.010 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1813831611 JPRIPRILXNMRDY-CYFREDJKSA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c1 1813863122 FYFYJWFKBJAFIU-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(F)cc4)CC3)n[nH]2)c1 1815628220 HLTSYCRAVUUALL-KOSHJBKYSA-N 485.563 5.214 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccs2)n[nH]1 1815993140 ROEAIRGISLEEPO-NRFANRHFSA-N 470.715 5.147 30 20 JKED Cc1cc2cccc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)c2[nH]1 1818366328 STASTTIZINDWTB-QRWLVFNGSA-N 483.597 5.100 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1)C(F)(F)F 1819029405 PGTFOOJFNLLWPQ-LBPRGKRZSA-N 454.499 5.110 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)n[nH]2)c1 1819415833 RDDCDDQKNXVRIE-QDTCPBHLSA-N 497.624 5.231 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1819556199 ZLSRQTHRGWNAQF-FQEVSTJZSA-N 451.596 5.318 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2Cl)n[nH]1)c1cccs1 1821120085 KJTYFVYAHUQTJW-OAGJVSPASA-N 486.956 5.009 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126964 DKEMRPGONILCGL-SFHVURJKSA-N 466.891 5.191 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)cc1 1821273026 XHRSAEVLAUKJKZ-HSZRJFAPSA-N 489.551 5.217 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3sccc3c2O)n[nH]1 1821505727 DXPABRYJRNRSKT-OXQOHEQNSA-N 464.591 5.404 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cncc(-c3ccccc3C=O)c2)n[nH]1 1821725358 AZSIKPIWFGDSQU-AREMUKBSSA-N 497.599 5.359 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2Br)[nH]n1 1821926385 OTXKCBNGIKEBHK-IFXJQAMLSA-N 493.833 5.273 30 20 JKED Cc1csc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)c1 1823291036 GVPVBOPWBCIPMS-HXUWFJFHSA-N 477.590 5.058 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(C(F)(F)F)cc4Cl)sc3C2)C1 1823304493 BJTNGPVUIFPYIG-ZDUSSCGKSA-N 469.916 5.007 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)[nH]n2)CCC1 1823379898 RBJKRXOZYJUUPD-KRWDZBQOSA-N 479.890 5.082 30 20 JKED CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1824052552 LRXDBAPURSDLFR-NSOVKSMOSA-N 471.645 5.304 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1824958362 RKXZQELDCYNZOH-MRXNPFEDSA-N 461.480 5.207 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccsc2)CC1)c1ccccc1 1827163066 AAUODTSFIPPNPL-IZZNHLLZSA-N 462.659 5.108 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827266085 HIHFQYRLIGTQIP-SIKLNZKXSA-N 486.081 5.951 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Sc2ccccc2)CC1 1828821202 ILFHNWRMSOXRQS-GPUOULLFSA-N 454.680 5.555 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1828825667 ZTDUQZWVLLSFDX-AHWVRZQESA-N 491.632 5.352 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828828450 KMKYTOHOGUJOCU-CTNGQTDRSA-N 473.013 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](C)Oc2ccccc2)CC1 1828830122 LNZVYFGBVBILKK-HDYLNDSGSA-N 452.639 5.232 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1829634574 WCRULIGRHPATPZ-LEWJYISDSA-N 493.570 5.111 30 20 JKED C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1829692549 JCSUJCDOYZNCHK-NLFFAJNJSA-N 478.036 5.639 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)c(C#N)c1 1830288248 DCRULSHLMDQOIG-HHHXNRCGSA-N 493.692 5.336 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)c1Cl 1830362218 OSGVYLNNZKTFKR-XMMPIXPASA-N 481.999 5.135 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1)C(F)(F)F 1830536653 NSHKRDMQHZUCKE-QGZVFWFLSA-N 480.424 5.196 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cc(C(C)C)c2)CC1 1830777709 KZVNKEXXCQFMRU-JOCHJYFZSA-N 461.444 5.382 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830805092 VRYKKWPWYFOSQX-JTSKRJEESA-N 466.544 5.160 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1831201262 WWSZWALNRKJKIG-SLKOVPJMSA-N 499.655 5.659 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1831373255 AQVVUTYHOPAICX-MHECFPHRSA-N 469.029 5.176 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831376714 RBDPTKINYQRBFC-LAUBAEHRSA-N 469.607 5.255 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 1831717129 SOLALBUNYYABLN-JBOQNHBVSA-N 499.699 5.098 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1831852707 ZCOBNCROUMBXDH-MHZLTWQESA-N 474.645 5.420 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1831857349 GQBPCXNFAJVFCB-YKSBVNFPSA-N 483.653 5.333 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCCCCCC(=O)OC)CC1 1831862137 OOKRAVBQDGHOKW-DEOSSOPVSA-N 462.675 5.256 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1832629649 UWGWMGSLCOATLR-AMGIVPHBSA-N 487.644 5.107 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635726 PYFDKYDWFMXUAF-IBVKSMDESA-N 461.581 5.308 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)c1 1832673760 YVXQDUBNOILMER-VWLOTQADSA-N 480.008 5.076 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1832896557 YYOOZQJSHFDFLF-DVECYGJZSA-N 464.009 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1835464281 XCPUDLDAUZATOL-RPBOFIJWSA-N 486.100 5.008 30 20 JKED C=CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1nc(-c2ccccc2)cs1 14723732 KHROAJDXJNQVJC-UHFFFAOYSA-N 488.034 5.081 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2F)nnc1-c1ccc(Br)cc1 16832683 YLPZVZVJFVFDNZ-GFCCVEGCSA-N 479.350 5.291 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1ccc(F)cc1F 22727108 OEQYTLORBORGII-UHFFFAOYSA-O 476.366 5.628 30 20 JKED CC(C)n1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1Cl 25763307 LBTCDRYYMJZHGN-UHFFFAOYSA-N 466.438 5.610 30 20 JKED C[C@H](C(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1)n1cccn1 27092226 OVLFMRUOPCBUHG-GOSISDBHSA-N 467.554 5.358 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)nc1C 30669282 NELFXHUQBPBPHS-UHFFFAOYSA-N 467.601 5.058 30 20 JKED C=CCn1c(SCc2csc(Cc3ccccc3)n2)nnc1[C@@H]1COc2ccccc2O1 31649675 CGDBTFORCOLOJB-NRFANRHFSA-N 462.600 5.316 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cccnc2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 69894730 DFHLINCIGCQJJX-UHFFFAOYSA-N 487.437 6.397 30 20 JKED CCOc1ccccc1Nc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)s1 104584389 BUMHLLYEIRFCDT-UHFFFAOYSA-N 463.588 5.524 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2C(C)(C)C)c1 107646437 TUYFZKUPMNAGJM-UHFFFAOYSA-N 487.025 5.234 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3cccc(OCCCC#N)c3)oc3ccccc23)s1 109716651 STIQJSHQRLHTCS-UHFFFAOYSA-N 464.572 5.820 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1ccccc1 110896494 HKTMBAGDUFDPNR-UHFFFAOYSA-N 455.493 5.035 30 20 JKED COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)ccc1OCC(=O)Nc1ccccc1Cl 214912606 JDJBLBVDHWSJEM-NTMALXAHSA-N 453.926 5.040 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 252467327 CVROYBWFDFRILS-OAQYLSRUSA-N 494.960 5.409 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 255930402 HLBYLTXNNQUTOI-GOSISDBHSA-N 485.053 6.248 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccoc4C)o3)c2C#N)C1 255931894 LMRPSXBJUCNWMN-CQSZACIVSA-N 470.620 5.843 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c2c1=O)CCCCC3 409995004 XWZGAPNNDGYVSN-UHFFFAOYSA-N 495.586 5.163 30 20 JKED N#Cc1cc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)ccc1OCC(F)(F)F 487094585 QMBIZJPUTATTQI-UHFFFAOYSA-N 465.884 5.381 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 487828217 AKBCTKXKYWNDHW-UHFFFAOYSA-N 495.332 5.801 30 20 JKED C=CCN(C(=O)c1nc(CC)n(-c2ccccc2Cl)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498298324 GPSZMEVORZKWDS-UHFFFAOYSA-N 494.964 5.348 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)N2CCCCC2)nnc1-c1ccc(Cl)cc1 498340473 LBXGGCHAPUZRLQ-UHFFFAOYSA-N 496.036 5.141 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)O[C@@H](C)C2 500042155 VOBXJVXSRNQTKU-GJULWVSJSA-N 459.571 5.070 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3SCc3cscn3)c2)cc1 501419598 JRLPXKKERIVMDQ-UHFFFAOYSA-N 471.607 6.333 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1Cl 510003689 ADDYWVKPHJSYEL-RSXGOPAZSA-N 474.992 5.190 30 20 JKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510024028 PKLAKSNIBZNMTN-JOCHJYFZSA-N 463.965 6.067 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 510984484 KDHLXAFFPWXVGC-HHHXNRCGSA-N 451.570 5.680 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1ccc(C(F)(F)F)cn1 513207317 XJPYYLAHWHQBSM-SFHVURJKSA-N 458.871 5.698 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc1 516270416 XTNCAYIAOROCHO-JOCHJYFZSA-N 468.538 5.953 30 20 JKED C=CCN(C(=O)CCc1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516461690 CFZZBJPVSDNVHN-UHFFFAOYSA-N 482.671 5.663 30 20 JKED COc1cc(Br)c(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 517530230 LQGQCWULBWGSKI-ZDUSSCGKSA-N 464.385 5.182 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3cc[nH]n3)cc2)nnc1-c1ccc(Cl)cc1Cl 517730478 CNRCTTGRMMOWBN-UHFFFAOYSA-N 485.400 5.559 30 20 JKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(Br)cc1Br 518668143 WCJXBWFMNMVNLB-OLZOCXBDSA-N 497.256 5.902 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C(C)C)cc1 518675052 YPVUJHAJRRSYEY-HXUWFJFHSA-N 479.524 5.172 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC(c3ccccc3)c3ccccc3)cc2)cc1 520668332 HYNUMROHVJWRLG-UHFFFAOYSA-N 461.521 5.237 30 20 JKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 524138299 JHIFENULGNERRM-OAQYLSRUSA-N 493.563 6.092 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Br)cc1Cl 524392060 SVQJWBMBGJNYMZ-UHFFFAOYSA-N 455.739 6.114 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1(c2ccccc2)CCOCC1 524439733 GHDMWMZOQIPTER-UHFFFAOYSA-N 455.558 5.316 30 20 JKED C=C(C)COc1cccc(NC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)c1 589741668 OOOPCRYVYLFXDT-UHFFFAOYSA-N 472.383 5.287 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)n2)cc1 603564381 GYXVEEAGNBVWNJ-LJQANCHMSA-N 471.369 5.232 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)CCc4c(C)nc5c(C#N)cnn5c4C)cc3)sc2c1 603579113 WUMHAKQZIIVUQS-UHFFFAOYSA-N 466.570 5.374 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 603660009 OUPRFMMMDNCRDZ-CQSZACIVSA-N 471.410 5.374 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(Cl)c3Cl)s2)c(C(F)(F)F)c1 603671859 BSMWYZTZOQTENR-UHFFFAOYSA-N 456.276 6.183 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 603710408 FDDKSAQSEHQLJU-DEOSSOPVSA-N 461.949 5.243 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccnc3SCc3ccc(F)cc3)cn2)c1 603739806 FSSJTTWNCZEYJI-UHFFFAOYSA-N 456.502 5.824 30 20 JKED COc1cc([C@@H](C#N)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc(OC)c1OC 609006278 HDHZTDYAUONGFE-HSZRJFAPSA-N 487.531 5.313 30 20 JKED C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)C1 609080801 UUEIALINDRJUDD-LJQANCHMSA-N 495.023 5.293 30 20 JKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103877 GQPNUSVRWWPSHN-OAHLLOKOSA-N 451.479 5.304 30 20 JKED Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1NC(=O)c1ccccc1F 609104555 HNDVSDVJPLNZBJ-UHFFFAOYSA-N 497.501 6.229 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc2F)c1 609110055 DMTXGYQHEINEFX-MHZLTWQESA-N 479.511 5.386 30 20 JKED N#C[C@@H](NC(=O)c1cc(F)ccc1I)c1ccc(OCc2ccccc2)cc1 609174776 WETYHRHGMPEHDZ-OAQYLSRUSA-N 486.284 5.004 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 609377481 XTARSSKDQXELNZ-WBVHZDCISA-N 476.429 5.736 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 609433870 ITPSHGPPXYDKGS-LJQANCHMSA-N 465.517 5.107 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 609435280 BVZKHNSSFAOOLY-IAGOWNOFSA-N 473.440 5.491 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1OC 613932376 LSRDAVSRJQQUKA-QGZVFWFLSA-N 462.575 5.198 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 616133945 WAPSFBIBZCFELD-QGZVFWFLSA-N 472.010 5.843 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618537999 GBUBYOPQUOJJMS-BETUJISGSA-N 477.371 5.900 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 620304584 PTJLICONGHVNLY-HXUWFJFHSA-N 471.488 6.029 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CCc3c(Cl)cccc32)cc1Cl 726402907 ICWUHLPYXCJLKQ-LEWJYISDSA-N 499.423 5.153 30 20 JKED C[C@H](NC(=S)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1Cl 726487420 NVNWUPAUSOBWMX-AWEZNQCLSA-N 461.418 5.151 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1OC 726541110 WNZMKUFKWVFNML-NBSXQYNISA-N 479.964 5.383 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OC(C)C)cc2)cc1 726570812 LKQNFQLIYSEUQA-UHFFFAOYSA-O 479.025 6.172 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(NC(C)=O)c(SC)c2)[n+]2ccc(C)cc2)c1 726573398 ZQILSOSFZIDOKA-UHFFFAOYSA-O 474.631 5.267 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(Br)cn2)cs1 727263014 IZECBPYMXCTGGF-UHFFFAOYSA-N 450.749 5.085 30 20 JKED O=C1/C(=C\c2nccn2CC(F)(F)F)CC(c2ccccc2)C/C1=C/c1nccn1CC(F)(F)F 727744782 KTDDBICVOHMQJA-BKHHGCLFSA-N 494.439 5.818 30 20 JKED C[C@H]1Oc2ccc(-c3csc(=Nc4ccc(C#N)c(Cl)c4)n3C3CCOCC3)cc2NC1=O 727970647 BQCCWCYKCBLZHK-CQSZACIVSA-N 480.977 5.045 30 20 JKED CN(C)c1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)cc1 728393360 UHRYWJCGOCQRQE-UHFFFAOYSA-N 458.537 5.539 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1cccnc1)c1cccs1 728430158 OGNDNFORRLMTMM-WFDHZJSPSA-N 489.626 5.166 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)cc1 728777550 LIMQORWEGRMGKN-FQEVSTJZSA-N 454.983 5.303 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 729144059 ALYGNVYZLPDFDC-IBGZPJMESA-N 496.017 5.137 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cnn(-c4ccc(Cl)nn4)c3C(F)(F)F)c2)cc1 729656021 MXYZQUOUIXZIDO-UHFFFAOYSA-N 484.825 5.251 30 20 JKED O=C1/C(=C/c2nccn2CC(F)(F)F)CCc2nc(-c3ccccc3Br)sc21 730436644 UHOUCBSILJSRSK-PKNBQFBNSA-N 468.298 5.544 30 20 JKED Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 731064763 XTVRKUIKRRZQIB-KRWDZBQOSA-N 450.585 5.913 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 731106253 UXFJVJDNFVNWMC-MHZLTWQESA-N 473.548 5.448 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1 731308772 NWXXBDJXZDMXEQ-DEOSSOPVSA-N 495.645 5.264 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747601165 DIXGBHAITWQMHU-SFHVURJKSA-N 474.970 5.096 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1 749184486 APHKNHPVVBLQKG-RUZDIDTESA-N 452.489 5.990 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1cccc(OC)c1 799213503 VPOWCDUZVZQDDZ-SFHVURJKSA-N 496.803 5.249 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](c2ccccc2)C2CC2)C1=O 837515196 OBRDTZPEWBOLDY-AZGAKELHSA-N 485.609 5.807 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 837518952 HAXQIYDBROEKLH-VGSWGCGISA-N 465.550 5.400 30 20 JKED C=CCn1c(C)cc(C(=O)COC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C 844162287 AMZWXLWEKWBOSY-UHFFFAOYSA-N 483.918 5.001 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1C 858032723 XDQPYXUUKDXMLS-XMMPIXPASA-N 469.589 5.037 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)C1(c2cccc(Br)c2)CCCC1 900451152 RUFVJMOTAGZQAN-UHFFFAOYSA-N 473.392 5.058 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)cc2)c(C)s1 914694454 KHQLAIKAXLOQNX-YJYMSZOUSA-N 462.040 5.380 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915084995 CREBBNJSPUEZPF-BDYUSTAISA-N 464.569 5.145 30 20 JKED N#C[C@@H](C(=O)CCN1C(=O)COc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103627 ZONVWYOYTIDOAD-HNNXBMFYSA-N 472.353 5.109 30 20 JKED Cc1ccc(C(=O)N[C@@H](C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)C(C)C)cc1 915103821 GHFCWKLCVDSOKU-VQIMIIECSA-N 459.493 5.254 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 915431072 RGSVYDIEJGTECS-UHFFFAOYSA-N 478.346 5.076 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 915860250 PULGCBMEBCPNDC-UHFFFAOYSA-N 493.548 5.131 30 20 JKED CCOc1ccc(NC(=S)NN=Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)cc1 915926400 KNCNDWGSZWMIJV-UHFFFAOYSA-N 467.620 5.164 30 20 JKED O=C(COc1ccc(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)cc1)Nc1ccccc1 915985362 SXUPYKNCJKSALR-OVCLIPMQSA-N 464.521 5.574 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccco3)C2=O)cc1 916204324 CDTLJWMJHJWRKH-NRFANRHFSA-N 499.951 5.435 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(Cl)cc1 916212291 VWTIQULKRGQHPY-NRFANRHFSA-N 467.978 5.100 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccccn2)cc1 916215352 UAMRRPIOHKJOKR-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc2ccccc12 916217272 JIAYRQANNBTLMZ-DEOSSOPVSA-N 491.613 5.235 30 20 JKED Cc1cccc(-n2c(SCC(=O)[C@H](C#N)c3ccccc3)nnc2-c2c[nH]c3ccccc23)c1 916622874 PIONCZRGBQSITC-JOCHJYFZSA-N 463.566 5.693 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1 916710616 MBIDBWMXSFAJRK-YYADALCUSA-N 495.432 5.003 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916907381 ABXFWBRFYMWADT-INIZCTEOSA-N 469.353 5.663 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916910587 TWKUQOIOLXWQQY-DEOSSOPVSA-N 481.552 5.959 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916918114 MFTHPNFMGXHSBB-JOCHJYFZSA-N 464.481 5.321 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 916929785 AQAKQSHJYYNAQN-MRXNPFEDSA-N 486.403 5.886 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916932335 SQTDDQZQPNRSBO-IBGZPJMESA-N 475.335 5.807 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 917026567 HVFOTDPHTSHKIG-RBUKOAKNSA-N 468.376 5.016 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN[C@H](c2ccccc2)C(C)(C)C)c1=S 917433074 VTQBWWBDEAZXAE-FGZHOGPDSA-N 450.608 5.447 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cs1 917562787 KKLLSVLSKCEDNJ-YBFXNURJSA-N 466.563 5.475 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 917668983 OLXFJANVYWDXRK-OAQYLSRUSA-N 497.983 5.046 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccc(C)n2)C1=O 917681927 SBSJOIYCBZNEFO-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccc(C)n1 917688016 ZFQAPKFYLRGSCU-QHCPKHFHSA-N 494.567 5.391 30 20 JKED CCn1ncc2c(C(=O)N3CCSC3=Nc3ccccc3OC)cc(-c3ccccc3)nc21 918549441 SLPROSCNSYGBML-UHFFFAOYSA-N 457.559 5.004 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)c1C 919162765 BEUSSOGQHBHJPF-UHFFFAOYSA-N 488.588 5.409 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 920105293 AKRAASYMICDPCU-KRWDZBQOSA-N 466.324 5.963 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CSCc2ccc(Cl)cc2Cl)cc1Cl 920112279 ZZUFFJGWZCDJEL-CQSZACIVSA-N 457.766 5.236 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc2cc(Cl)ccc2s1 920113425 WQCZUYACPIPLTM-AWEZNQCLSA-N 486.778 6.176 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1C 920893313 BYNZCVRDSPBRRV-UHFFFAOYSA-N 458.562 5.308 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N\C[C@@H](O)c1ccccc1C(F)(F)F 920990767 BRWLYCKODOLDOU-PJDJVUTQSA-N 467.079 5.089 30 20 JKED C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1524141729 IYQVOQIDUWPXBX-INIZCTEOSA-N 456.527 5.260 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1781740210 GDTMJJCRRCIZFX-HGIQPGCESA-N 491.657 5.236 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)c(OCC)c(Cl)c4)CCC3)cc2)C1 1785810415 RJVLXFOOBRPKIX-UHFFFAOYSA-N 456.945 5.592 30 20 JKED Cc1nc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c(C)s1 1786946432 VNTUHTPPZJTQDR-UHFFFAOYSA-N 479.005 5.275 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2C1 1788594751 AVKMVGXANSGRJS-HJOGWXRNSA-N 476.778 5.014 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CCCc3ccncc3)CCC2)cc1 1788649174 CMYFNFYPPIOULK-VAWYXSNFSA-N 473.598 5.039 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4csc(-c5cccnc5)n4)cc3)CCC2)c1 1788675981 GXGDJVLIEIDZHE-UHFFFAOYSA-N 497.555 5.277 30 20 JKED CCCc1onc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1788782711 WZDUIWCFPLNPAJ-GOSISDBHSA-N 470.573 5.624 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(OC4CCOCC4)n3)CCC2)cc1 1789456593 XONIDWPTAIWQGS-DEOSSOPVSA-N 489.616 5.156 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)N3CSCSC3)CCC2)cc1 1789626238 GLRLNWOTFGFLHG-GOSISDBHSA-N 461.697 5.156 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccnc4Cl)CCC3)cc2)c1Cl 1790081951 RJJVUTXCAIMOGO-UHFFFAOYSA-N 479.367 5.250 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C)CCC2)cc1 1790519955 OYXVHVMGEKOVOO-QHCPKHFHSA-N 495.620 5.504 30 20 JKED COc1ccnc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)c1 1790785145 PZKDFSCOGXBVFG-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791250557 UXZIMQBMIOOUMC-RTWAWAEBSA-N 483.653 5.370 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2C1 1792076654 RUUCPMBLCYWRMT-QOKNQOGYSA-N 487.855 5.233 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(OC)ccc3Cl)cc2)CCC1)C(F)(F)F 1792085907 QWSVLSIDYSNEAE-UHFFFAOYSA-N 452.860 5.215 30 20 JKED Cc1c(Cl)ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(C#N)cc2)c1Cl 1792483165 QJQKXSUFDHLFNY-ACDBMABISA-N 470.400 5.058 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1793698889 FQQXBFUTLGCAHM-BKFWDETESA-N 464.556 5.020 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(Br)cc1Cl 1800406183 UTSNIPRRVQGVRI-QDMKHBRRSA-N 485.825 5.486 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)cc2Cl)c1 1800417848 LAMTVBPDADFMSX-REPLKXPHSA-N 475.898 5.105 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ccoc12)c1ccc(C#Cc2ccccc2)cc1 1801100612 JDYRYNLIPNFZHC-LGKQTMLJSA-N 474.560 5.398 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1802491077 FTDLJVHYGLLHSB-PLAFWNHUSA-N 479.587 5.449 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802492628 RNEFIQXBSDUKQS-ATIYNZHBSA-N 498.067 5.592 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1802501076 RTRHUHILUCAFRK-PXDATVDWSA-N 481.612 5.320 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1802732869 YFVSKOZXQSNBIH-ZJSXRUAMSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1803083369 BTFOKCZJVPMCRE-LBNVMWSVSA-N 480.612 5.232 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCc1ccccc1 1804260115 YRULQPQCVXKVGL-MNPUUQGPSA-N 469.670 5.399 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc(C)cc23)[C@H]1c1cccnc1 1804384355 OOHUZQFZZMQURS-WXVAWEFUSA-N 472.633 5.112 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)CSC3CCCC3)C2)CC1)c1ccccc1 1805986478 XZAWOEOHZWDFEP-VWLOTQADSA-N 466.691 5.091 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1810171083 DQURISZQXSIDRS-GEBXHLAXSA-N 494.639 5.540 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1810273654 GGYSLZPVQNBFKL-URXFXBBRSA-N 493.705 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810503585 QUWUEPOAXBNKGC-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc4c(c3)c3ccccc3n4CC)[C@@H]2c2cccnc2)C1 1811427756 HPDGJAZQVTXCHQ-BTYSJIOQSA-N 492.623 5.495 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@H]2CCN(C(=O)c3c(Cl)cccc3Cl)[C@H]2c2cccnc2)c1 1811725661 JMMUDBUZZOTYDS-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(O)c3cc2OC)[C@H]1c1cccnc1 1812193552 YLIRTJOSERKINK-QDPGVEIFSA-N 499.611 5.037 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812514093 FKMMXZVVOWNGMX-KNQAVFIVSA-N 487.978 5.074 30 20 JKED C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1812530573 HYAXTYABACCWNP-OFVILXPXSA-N 483.534 5.101 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1813768614 PXTPEKNOHJDFIP-NTKDMRAZSA-N 472.416 5.210 30 20 JKED Cc1ccc(SCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813866342 PYQBJENVEALFBJ-LQCMOVKCSA-N 498.652 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c1 1813869093 XHXDDEZSYBXXMT-FTGWLVSGSA-N 490.966 5.135 30 20 JKED Cc1cc(C)cc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1813869985 WBGULNAQFGFMSF-OIUQCLNLSA-N 494.639 5.278 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccccc1 1814934111 XEFCMNMYDKNRRA-USFLJJBZSA-N 490.629 5.342 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(F)cc3F)n[nH]2)c1Cl 1815520126 JDBBUFXOKKLOFF-ZQAUEJBPSA-N 495.917 5.232 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cc(C)[nH]c34)[nH]n2)c(O)n1 1816241892 YXAHGKOTEXSNJC-QHCPKHFHSA-N 498.587 5.038 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)c(C(F)(F)F)o1 1816469772 XALQGGYESWPCQN-HXUWFJFHSA-N 499.493 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)[nH]n1 1819552070 DKUYLITWBBGMOJ-KRWDZBQOSA-N 464.397 5.410 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)[nH]n1 1819552271 HTSODFJCOHMNFW-HSZRJFAPSA-N 477.609 5.127 30 20 JKED CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1820606865 ICZBVIKCLKTSMW-KOSHJBKYSA-N 455.562 5.219 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c1 1821321424 HXGFWMAJTSIEBI-HAAQQRBASA-N 478.556 5.090 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1C 1823216739 NLKNEGZXHUVVRB-CYFREDJKSA-N 485.588 5.282 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 1823750393 ISKQOBXHLVGQPM-FQEVSTJZSA-N 465.560 5.326 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1823886431 DRPVYIRDKLYBIH-CLJLJLNGSA-N 493.598 5.668 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)Cc3ccccc3)CC2)c1 1824099190 YEFOOELILIEOEJ-MHZLTWQESA-N 487.644 5.069 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 1824499201 KAZOBWZPIAZRKY-KODFZCBSSA-N 468.682 5.419 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1824512188 XXDSEAGYPVZPKH-JPYJTQIMSA-N 481.464 5.137 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1824540421 IFEYQSPEMJTBKA-DOTOQJQBSA-N 463.496 5.243 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)C4(C#N)CC4)CC3)ccc21 1826683435 IMMVIDJGVPEUSK-VWLOTQADSA-N 482.628 5.351 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1)C(F)(F)F 1826781536 REEQNYQJKVEAHT-BIHRQFPBSA-N 489.582 5.103 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828129759 CMCNOKFAKZLFFL-QFIPXVFZSA-N 451.636 5.298 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)ccc2s1 1828254102 WLCFXDXPHOJRQA-XMMPIXPASA-N 490.604 5.163 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1828830053 QUZZNMGVOYZKPZ-RDGATRHJSA-N 486.056 5.300 30 20 JKED CC(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)on1 1828906248 BPLARRDEQREQSH-QHCPKHFHSA-N 471.718 5.082 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccnc(C)c2)CC1)c1ccccc1 1829030235 MRRPKTZEINUYDZ-VMPREFPWSA-N 485.672 5.140 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccoc2)CC1)c1ccccc1 1829035066 KUBWASVKKHBIEI-KAYWLYCHSA-N 460.618 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(=O)c2ccc(Cl)cc2)CC1 1829068341 QNERYDPWCCKHGX-QFIPXVFZSA-N 459.030 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)CC1 1829454869 JHGQTWJMZPBKPN-TZIWHRDSSA-N 464.437 5.390 30 20 JKED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1829694517 BVNQKNMBSMBESD-AMGIVPHBSA-N 499.655 5.086 30 20 JKED Cc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(C#N)c2)CC1 1829943930 KNUPUEPSIPOBSP-DEOSSOPVSA-N 494.433 5.176 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(OCC)c(Cl)c3)CC2)C1 1830660794 ITJCPBHKLCRBFY-JOCHJYFZSA-N 462.993 5.077 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3F)CC2)c(Cl)c1 1830722208 FCGBSBIKIOSNDX-JOCHJYFZSA-N 471.935 5.037 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c1Cl 1831481988 RDNIMTZGFXXJAA-BTDSVWAKSA-N 468.041 5.271 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(Br)cc3)CC2)C1 1831688502 YHTWXQGMAVLVBN-BWAMLYQTSA-N 471.439 5.048 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1Cl 1832654497 CJBPSWOHBCJQLA-VWLOTQADSA-N 494.035 5.086 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832703105 UMPGMRFFGGWBKU-QHCPKHFHSA-N 462.556 5.441 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)cc1C#N 1832703118 BATLTPZNLQFIIJ-XMMPIXPASA-N 483.628 5.251 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832704012 BZEIBJDHXNWISF-AREMUKBSSA-N 491.607 5.340 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)CC1 1832722566 XTJOIZJGRDMLAI-NRFANRHFSA-N 479.846 5.139 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C)CC1)NC(=O)OC(C)(C)C 1832756999 NFLBXXQJHGTWPX-ILBGXUMGSA-N 497.680 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(Br)cc(C(C)C)c1)C2 1844203723 GMDRRNAYQVXLRK-OAQYLSRUSA-N 459.428 5.158 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CC2(CCCN2C(=O)c2cccc(C(F)(F)F)c2F)C1 1845347779 YTIXBRSXRZYIIE-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CCCc2ccc(C(F)(F)F)cc2)C3)c1 1846825655 KAQZMFSUOPZBDA-IBGZPJMESA-N 483.534 5.172 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)c2sc4ccccc4c2Cl)C3)cc1C#N 1846877076 NATJUUUPBOWUJS-UHFFFAOYSA-N 494.016 5.344 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 1847263667 JDMNEHJMHNJPBY-ZEQRLZLVSA-N 456.590 5.038 30 20 JKED C=CCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2scc(-c3cccs3)c2c1=O 3472672 NMKRSQRFAYKPAC-UHFFFAOYSA-N 499.595 5.440 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc3c(c2)CCCC3)c1 10172833 BVAZBUXKFMIUTO-UHFFFAOYSA-O 481.588 6.122 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)nnc12 10557150 NDQYUWINYQOPCP-UHFFFAOYSA-N 497.580 5.062 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(CC)cc2)c1C 11083312 CHQHLPVWDWOQGN-UHFFFAOYSA-O 482.601 5.157 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccccc2)c1C 11265597 RUEHDVBDHWLDNM-UHFFFAOYSA-O 464.611 5.270 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)Nc3c(C(C)C)cccc3C(C)C)CC2)cc1 14380244 HPQUIQWVZAULLQ-UHFFFAOYSA-N 485.650 5.038 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nc2sc(C)c(C)c2c1=O 18330921 OBOFGGPPRPFXBJ-ZDUSSCGKSA-N 496.639 5.672 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccc(Br)cc1 22101166 RSSRHISYPHSVQI-RKVPGOIHSA-N 463.445 5.069 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 22729658 WBPOZHCHLAPRAA-UHFFFAOYSA-O 487.595 6.511 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1cc(F)ccc1F 22731076 RIBPZEUBMUYSQR-UHFFFAOYSA-O 454.305 5.316 30 20 JKED C=CCn1c(SCC(=O)OCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl 22879733 XVAQWRYDLKBIIC-UHFFFAOYSA-N 479.345 5.182 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccco1 23201795 RKHWPAZKWKCPKG-GFCCVEGCSA-N 473.530 5.245 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCc2c(C)noc2C)ccc1Cl 28446433 PYQJNWKAYANOOQ-UHFFFAOYSA-N 495.384 5.337 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)n1 32327787 BKMJRSSMVAXYPX-MRXNPFEDSA-N 461.431 6.055 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1Cl 32523327 VRILAFXXBPBSEP-UHFFFAOYSA-N 499.370 5.448 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nc2sccc2c1=O 36855151 UYYCUAPBQJLYLB-NSHDSACASA-N 490.582 5.165 30 20 JKED N#CCCCOc1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 68731174 PYZVNGDTQBBSDK-UHFFFAOYSA-N 476.455 5.151 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2Oc2cccc(F)c2)CC1 68749927 QJTMNGGSWMLHEL-UHFFFAOYSA-N 472.476 5.593 30 20 JKED CC(C)(C)C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)cc1 71931609 PZBWZSQSPWLSGN-FQEVSTJZSA-N 464.541 5.455 30 20 JKED Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1NS(=O)(=O)c1ccccc1 108826386 YTTLMQCTGOWVED-UHFFFAOYSA-N 497.576 5.499 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 195645880 AINGIAKEMDDREV-JOCHJYFZSA-N 451.320 5.478 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C 220058227 DWYWZEKEVGBASP-UHFFFAOYSA-N 473.602 5.210 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)n1 303130199 RPJUOYRZTLQYDO-UHFFFAOYSA-N 476.505 5.325 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 303353423 OFKJOWGLDUHTSD-LBPRGKRZSA-N 477.409 5.526 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 483467091 HGKQXQIAJPEONT-UHFFFAOYSA-N 473.583 5.736 30 20 JKED C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F)C(=O)N(C)CCC#N 501625102 FTOWQNCCMJPXAD-AWEZNQCLSA-N 493.942 5.459 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 505684925 SZMYPNHRGUWIBS-GOSISDBHSA-N 474.536 5.548 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc(-c2c(F)cccc2F)cs1 506869927 APHBMAOZOANAPG-MRXNPFEDSA-N 489.532 5.888 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 509559059 KMKSFAOLJZMMPA-UHFFFAOYSA-N 469.950 5.052 30 20 JKED C[C@@H]1CN(Cc2ccccc2CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H](C)O1 509904411 IJHUJHKGLFWAKU-DHIUTWEWSA-N 498.627 5.263 30 20 JKED C[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1Oc1ccccc1 510292291 UETSTRNSEKAPOQ-HXUWFJFHSA-N 468.557 5.472 30 20 JKED N#Cc1cc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)ccc1OCC(F)(F)F 512802663 VWWSLMRMELDBBY-UHFFFAOYSA-N 457.886 5.519 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 513672662 SWAXMCRBKRJNLW-INIZCTEOSA-N 474.567 5.080 30 20 JKED CN(C)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C(F)(F)F)c1 513862130 RFVCHGFEYFNKFL-UHFFFAOYSA-N 470.470 6.016 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 514421465 HNCCHZGNCAYPIL-SFTDATJTSA-N 498.583 5.475 30 20 JKED COc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2sc(C)c(C)c2C#N)cc1OC 514612735 VYHATJDMUBIVGB-UHFFFAOYSA-N 481.599 5.237 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 516795301 DENCJFYUEDYZKU-OAHLLOKOSA-N 461.421 5.016 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC1(c2ccccc2)CCCCC1 517467074 JVCKYAXQTMKFGW-UHFFFAOYSA-N 489.563 5.668 30 20 JKED C=CCN(C(=O)Nc1ccccc1OCCc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 518256181 PGARBNRWDRMZQH-NRFANRHFSA-N 468.561 5.065 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cn2c1 518260774 VEPJSUHLMBFOND-IBGZPJMESA-N 471.467 5.457 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccc([C@H](C)CC)cc1)c1cccs1 518580721 XNBFXLSEUMZZSN-OSPHWJPCSA-N 461.587 5.376 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc(-c2ccncc2)cs1 518642007 IDGVXAATUCQHQO-SFHVURJKSA-N 466.444 5.901 30 20 JKED Cc1nc(-c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)cs1 518904023 DYVNCKVOAIWKCZ-UHFFFAOYSA-N 458.503 5.056 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 520827624 QUAIIDPVPUIILO-IBGZPJMESA-N 497.580 5.880 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(C)cc2)cc1 520842160 PNOYPXMNFHXGRN-KBMIEXCESA-N 473.598 5.100 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1Cl 520945214 PHNDMTAEUKZCIB-RBBKRZOGSA-N 496.419 5.941 30 20 JKED CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 521072125 MUYHSLABDBGRFY-UHFFFAOYSA-N 477.008 5.581 30 20 JKED Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2n1 521720882 WUHATZFSNYEXID-CQSZACIVSA-N 460.386 6.262 30 20 JKED CC[C@](C)(C#N)NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 522205026 HLABTLYZAPOAEX-AREMUKBSSA-N 496.032 5.153 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccc(Oc4ccccc4)cc3)c2)c1 523971936 GEAVWLPZZPFZSB-UHFFFAOYSA-N 477.520 5.184 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 524389589 QEUKZSIFRGRIHV-UHFFFAOYSA-N 481.552 5.811 30 20 JKED C[C@H](NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 561387020 SSMRXFMQRWOYSW-JTQLQIEISA-N 481.343 5.725 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3SCc3cccs3)s2)cc1 590613265 CJCHGHZMZYJMPM-UHFFFAOYSA-N 480.665 6.308 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nncn4C4CC4)c3C#N)C(C)(C)C2)o1 590665647 HVZFMLXSICVUOQ-UITAMQMPSA-N 491.642 5.957 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCOc1ccccc1Br 603959688 QKWSCNBRCCRVLY-UHFFFAOYSA-N 452.308 5.224 30 20 JKED C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccc(OCc2ccccn2)c1 603982652 NYLIEPLWZUBTGM-NRFANRHFSA-N 463.537 5.602 30 20 JKED CCc1cc(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)s1 604027560 DWKWEHVWMYRNOK-UHFFFAOYSA-N 466.419 5.498 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 604131699 HNABCNVEWHLEIW-QVKFZJNVSA-N 485.893 5.830 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 604458873 FBSYXXNBSOTWHY-FQEVSTJZSA-N 463.553 5.385 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)c(Cl)c1 604523370 MSACTXYGICVHKS-UHFFFAOYSA-N 483.355 5.085 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 608792878 MNMXVLOLJBNREL-HSZRJFAPSA-N 476.983 5.589 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 608996004 ONEKDCAWBKKLHG-UHFFFAOYSA-N 454.574 5.726 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Br)ccc3Br)o2)cc1 609056955 KLBIKWGIUPPLDQ-UHFFFAOYSA-N 476.124 5.508 30 20 JKED CSc1nc(C)c(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)n1 609062917 KIIWKSDOWHBUKA-UHFFFAOYSA-N 466.994 5.491 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c2ccccc12 609371002 QSUTURXPEZQODG-SFHVURJKSA-N 470.623 6.279 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]2CCCC[C@H]21 609377050 OUJQRACEXXGGAI-NNLJWKLDSA-N 477.630 5.359 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc(-c2ccccc2)cs1 624602927 RXVBADBDTDFZMW-UHFFFAOYSA-N 495.670 5.596 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCCC(=O)Nc1c(Cl)cccc1Cl 644450412 RGSIDCCVNRIJKX-UHFFFAOYSA-N 481.380 5.610 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cnn(CC)c1 726112558 NXNZYRCMDCDHNH-LJQANCHMSA-N 462.019 5.015 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc(C)nc21 726320500 YMPAGSCCLOJOML-NQIIRXRSSA-N 467.529 5.464 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 726397751 IUKNVIWKTJZTRW-UZLBHIALSA-N 493.551 5.399 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(Cc3ccco3)C2=O)c1 726416177 SBECVHPORWDQMU-QHCPKHFHSA-N 493.585 5.236 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)cc2OC)[n+]2ccc3c(c2)CCCC3)c1 726572673 IHDIOTWCYFKSJW-UHFFFAOYSA-O 471.602 5.175 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc(Br)c1O 726626589 IKZZFUVKDWVHEN-GIDUJCDVSA-N 481.780 5.094 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 727589477 VGSBVJQWSFKUEA-URXFXBBRSA-N 466.368 6.254 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1 727590565 LXQWTRYMPCDQTJ-XOFWUJAUSA-N 482.650 5.081 30 20 JKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728272694 LMARFXKGKPTVNT-UHFFFAOYSA-N 470.573 5.243 30 20 JKED CCOc1ccccc1[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(C)=O 728411471 IBYYSGLBGHPFFM-PMACEKPBSA-N 467.978 5.306 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728776686 DLXNBTURZNHPKV-FQEVSTJZSA-N 454.983 5.303 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCCCC#N)C2=O)c1 728776913 GQLNPTJAIGGMMT-NRFANRHFSA-N 452.555 5.097 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cccc1C 729631456 NKEVNAODSHKWRM-QFIPXVFZSA-N 476.577 5.306 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCc3c(C)noc3C)C2=O)c1 730442274 TVBSDYWGCYANKG-HSZRJFAPSA-N 494.592 5.250 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730717168 GICKXEAKUBTTBQ-JOCHJYFZSA-N 490.972 5.642 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cccc(OC(F)(F)F)c2)cs1)c1ccc(F)cc1F 730949515 XOARKNASOKBMQN-SOFGYWHQSA-N 468.403 5.901 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCSc1ccc(Br)cc1 731136039 LCSVXSMFPHZGRV-MRXNPFEDSA-N 495.826 5.639 30 20 JKED CCN(CCC#N)Cn1nc(-c2ccc(OC)cc2)n(-c2cccc(C(F)(F)F)c2)c1=S 742540285 GKAPSAWQMFZXJH-UHFFFAOYSA-N 461.513 5.291 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 743524977 NNGDCAVLWYHFDX-QRQCRPRQSA-N 498.530 5.529 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N([C@H](C)c3ccccn3)C2=O)c1 743526201 OQTBDZJCEPRDRQ-UZUQRXQVSA-N 492.576 5.259 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(OC)c1 745267929 DFVPZOJWOWFROF-UHFFFAOYSA-N 456.499 5.171 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cscn3)C2=O)cc1 747600388 QIWUQFCQJGSZQE-LJQANCHMSA-N 471.007 5.265 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1ccc2ccccc2c1 747600857 RHCNABVSRHJBLF-JOCHJYFZSA-N 472.595 5.457 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 747622850 VWZCJWSEGXUPHE-UHFFFAOYSA-N 463.024 5.241 30 20 JKED COCCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc(Cl)ccc21 804078162 GBTBYSTWKQVRTP-QGZVFWFLSA-N 483.018 5.428 30 20 JKED Cc1ccccc1-c1nnc(S)n1N=Cc1cc(Br)ccc1OCc1ccccn1 818253222 XBANMJXULNQWGJ-UHFFFAOYSA-N 480.391 5.161 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@@H](C)CCc2ccco2)C1=O 837302189 SYISWSNGAVVQKX-SBUREZEXSA-N 495.576 5.409 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccs3)C2=O)c([N+](=O)[O-])c1 837536989 GBXDDUALJYODNX-HXUWFJFHSA-N 480.571 5.125 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2cccs2)C1=O)Nc1ccc(F)cc1F 837541902 HGEKTSOCHKVVSV-HXUWFJFHSA-N 471.554 5.229 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccs2)C1=O 837552220 OGVVCAXUORNEKA-HXUWFJFHSA-N 486.018 5.571 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 838546067 MWCOMKBANJWIBH-SPLOXXLWSA-N 484.503 5.220 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccsc3C(F)(F)F)no2)CC1 904925552 LRZMQTXMFIZDIJ-UHFFFAOYSA-N 461.425 5.321 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1nc(-c2ccc(Cl)cc2)cs1 915101653 JUJHOBYFJJYYDU-GOSISDBHSA-N 466.946 5.464 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)c1 915576454 FOZPDLPRSZIINL-SFHVURJKSA-N 474.561 5.333 30 20 JKED N#CCOc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 916152326 ZEJWBOWYZYHMQP-XNTDXEJSSA-N 450.454 5.246 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccc(F)cc3)C2=O)cc1 916206103 OEFMJOCHUAUXKD-HSZRJFAPSA-N 493.535 5.328 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1C 916206894 AKISTISZONWXKS-JOCHJYFZSA-N 480.540 5.137 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccco3)C2=O)cc1OC 916217258 JCSFXSBXPSUSQV-JOCHJYFZSA-N 493.585 5.074 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNc3cc(C)c4cc(Cl)ccc4n3)cs2)cc1 916543581 FRHFQZVLYWXQRZ-UHFFFAOYSA-N 465.966 5.792 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 916911633 CPCTWZXZAUKZFU-GOSISDBHSA-N 456.329 5.491 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 916926139 SSXWLOXBAHJILA-SFHVURJKSA-N 492.988 5.468 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916932170 RKXJCJYCEIHECL-QMTHXVAHSA-N 472.191 5.584 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)n2)cc1 916975054 VILQBKLLPXTWLN-RTBURBONSA-N 498.435 6.154 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917045315 XUXSJPQDKBIQMQ-HNNXBMFYSA-N 461.465 6.152 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)[C@@H]1c1ccccc1OC 917047273 VHBCWHXEZCXUPV-GLDPYIMESA-N 496.032 5.915 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)n1 917047517 ZDLBWXQNDSLOMX-MRXNPFEDSA-N 456.017 6.497 30 20 JKED COc1ccc(/C=C2/CC3(C/C(=C/c4ccc(OC)c(F)c4)C2=O)C(=O)Nc2ccccc23)cc1F 917517572 IQKQDHIKLMIKFO-YZLQMOBTSA-N 487.502 5.702 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917696078 GZJXCUQUKDBPIM-IBGZPJMESA-N 475.517 5.326 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@H](C)c2ccco2)ccc1Cl 919859471 HGUGJDDXSFDJIA-GOSISDBHSA-N 485.005 5.680 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)c2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1Cl 919948228 HEVKOBIJHATXQD-UHFFFAOYSA-N 498.338 5.234 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 920104213 LPQJZADIOCGBIH-LJQANCHMSA-N 455.562 5.613 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 920109345 DIWPBXDSOGYWSD-JOCHJYFZSA-N 468.488 5.038 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 920111296 LKAPQZCURYJBKY-CLOONOSVSA-N 493.563 6.089 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c(C)c1 920353553 MOSLJNKBTBOPBK-JOCHJYFZSA-N 480.565 5.208 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3c(C)noc3C)C2=O)c1 920354148 ZLWMLVGHAKQHHX-HSZRJFAPSA-N 476.602 5.377 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1nc(-c2c(F)cccc2F)cs1 920807077 XKHYNKHWTITEAF-GFCCVEGCSA-N 486.550 5.278 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cnn(-c3ccc(F)cc3)c2C)cs1 920992001 XMAISTYALIVQAK-GHXNOFRVSA-N 480.952 6.010 30 20 JKED C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)N(CCC#N)c1ccc(F)cc1 928967362 ONELUXDWIUTIRF-XXBNENTESA-N 478.593 5.296 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)C2 1779269457 MKAAEIZPYLXGKR-HWVJKKQCSA-N 490.566 5.001 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CCC2)cc1 1786374335 QRCDZQRYVXUJJF-OAHLLOKOSA-N 464.459 5.183 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)cc2)CCC1 1789295426 RRYHOQJDLUXQHT-UHFFFAOYSA-N 482.506 5.294 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(Br)c4[nH]3)cc2)CCC1 1789328951 MYUJYSDZKPQGOA-MRXNPFEDSA-N 496.405 5.269 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1)c1ccc(O)cc1 1789358782 SVYYUGAKUAGHLC-NRFANRHFSA-N 492.579 5.213 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CN(Cc3ccco3)C(=O)OCC)CCC2)cc1 1789458221 QOLDINPTWGJUHP-XMMPIXPASA-N 493.604 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3=CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789624065 GUVQJFHSTSPPLQ-UHFFFAOYSA-N 481.637 5.290 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789957888 UDZSXBITYXODNX-HXUWFJFHSA-N 470.573 5.297 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4[nH]cnc4-c4cccnc4)cc3)CCC2)c(Cl)c1 1790028869 DLOCOULQSIXNCI-UHFFFAOYSA-N 496.958 5.058 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)nn1C(F)F 1790133893 FFZYTKCJAIBBKZ-INIZCTEOSA-N 477.515 5.275 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)cc1 1790289572 AUGBDOMSERWFPM-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCCOc4ccc(Br)cc4)cc3)CCC2)C1 1790471569 GMZIGGNLRPGPJB-UHFFFAOYSA-N 497.433 5.708 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C(F)(F)F)c3)cc2)CCC1 1790657399 AQPOHMOUALDMRZ-UHFFFAOYSA-N 494.311 5.519 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(F)cc4)CCC3)cc2)cc1 1790708762 SYRVELZOHARCPR-UHFFFAOYSA-N 455.533 5.272 30 20 JKED Cc1cc[nH]c1C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1 1790744819 TUAFQACFYPTYFN-UHFFFAOYSA-N 477.362 5.019 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5ncccc45)CCC3)cc2)c(Cl)c1 1790767771 KDDXXUBSAYQZMU-UHFFFAOYSA-N 481.943 5.216 30 20 JKED CC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1O 1790816540 GYYWVIGTCPEQHO-GOSISDBHSA-N 496.567 5.039 30 20 JKED C[C@@H](Cc1ccncc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791039471 IOSKFLJUOZEWQU-SFTDATJTSA-N 466.585 5.335 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)CCC2)cc1 1791577046 IRDSGADPNRYPIB-GOSISDBHSA-N 482.609 5.363 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)cc2)CCC1 1791663252 QYKUUXZCNKPNOV-UHFFFAOYSA-N 463.887 5.339 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4Cc5ccccc5O4)CCC3)cc2)c1 1792123694 PEXUMQKXYMGHAS-NIYFSFCBSA-N 465.553 5.065 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1OC 1792125367 WVKSIBLUMMDBSJ-LJQANCHMSA-N 483.568 5.392 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792208019 FDECSPGZHYNFCV-XMMPIXPASA-N 493.648 5.456 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(OCc3nc(C(C)(C)C)cs3)c1)C2 1801643603 NJIOPNXRXVMNSD-UVUJQTEASA-N 495.689 5.484 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1802501042 QTGWTWCJVRNPNI-CPJSRVTESA-N 491.035 5.595 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc5cc[nH]c5cc4Cl)CC3)C2)c1 1805328416 VLPZOXMIRIMDBH-UHFFFAOYSA-N 489.019 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)C1 1805453416 FMJXYMBZGNOODE-UHFFFAOYSA-N 462.556 5.248 30 20 JKED O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCC2(CCCN(C(=O)C(F)(F)C(F)F)C2)CC1 1806503187 IOOLABVLBREXNL-UHFFFAOYSA-N 488.831 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1809195222 HRKVCFUBPQMLEA-YADARESESA-N 479.024 5.528 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1809281968 QZUPUWRZAQRTNL-WNCULLNHSA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1810171706 FNKXKTOKFOVALY-LSMIHOHGSA-N 467.613 5.252 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810184044 ZYTDYYACJXDFMX-PFATUAPWSA-N 485.550 5.117 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3Oc3ccccc3)[C@@H]2c2cccnc2)C1 1811713649 BPVKRJWDQJUWHL-CUNXSJBXSA-N 467.569 5.160 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811719223 VKTWQAKZWLYKKB-OUTSHDOLSA-N 499.611 5.176 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811719266 WSVYBIGHWHEUJV-AMGIVPHBSA-N 487.625 5.113 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)ccc2[nH]1 1811749455 WUDOFORLYHLXPB-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1811865546 KISBWSLCTCHSLL-SQHAQQRYSA-N 488.676 5.384 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1812072456 TZUQUTMYRMBYMG-PXDATVDWSA-N 491.035 5.595 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4[nH]c(C)cc4c3)[nH]n2)c(O)n1 1816241470 GCJHVBGEMSZJSZ-XMMPIXPASA-N 498.587 5.038 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC#N)n[nH]1)c1ccccc1 1817123843 DBPDXKZRADOZHG-SQHAQQRYSA-N 492.668 5.061 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817211862 FDUICFFAKDSUJJ-XDDOSOJWSA-N 489.664 5.772 30 20 JKED CCC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1)n1cccc1 1818062552 GTSGISNQBBFSTA-WDJPJFJCSA-N 472.593 5.186 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)[nH]n1)c1ccccc1 1819521005 VPIVIQANBPQTTF-OFNKIYASSA-N 473.577 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)[nH]n1 1819556833 OBVVWWHJVQIYFA-NRFANRHFSA-N 460.582 5.098 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)c1cc2scc(-c3ccccc3)c2[nH]1 1820115800 KRPZPFKJDJQTPL-JOCHJYFZSA-N 483.597 5.339 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2OCc2ccccc2)n[nH]1 1820237885 SGVAHDGQSSNFCE-QFIPXVFZSA-N 491.979 5.252 30 20 JKED CCOc1ccc(Cl)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)[nH]n1 1821154732 RDLWGUQVXIINTA-JOCHJYFZSA-N 491.979 5.262 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)[nH]n2)cc1 1821158939 MFSVDRWIQCJTPB-VWNXMTODSA-N 479.650 5.078 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)n[nH]1 1821352299 SVDPISXRMLUZGX-OAQYLSRUSA-N 490.526 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(CC)CC)n[nH]1 1821753243 BNSQWGZUDYZCSK-CWDLOFLHSA-N 477.653 5.253 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1 1821861341 SSJKMECFFJAGLF-FQEVSTJZSA-N 461.393 5.145 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccnc4ccccc34)[nH]n2)c1 1823215632 YPCNVUYBQSQBNT-IQGLISFBSA-N 478.556 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ncc[nH]4)cc3)n[nH]2)c1 1823271179 PQXKHBWLSBXBGU-UUOWRZLLSA-N 493.571 5.047 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823308972 HZPOWBZSWQOYAN-FZKQIMNGSA-N 499.921 5.189 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)n1 1823682122 SMWGNRNIZVPXNZ-DEOSSOPVSA-N 478.662 5.004 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823683325 RZZRDSPRSJAVGT-YKSBVNFPSA-N 495.714 5.353 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3Br)CC2)C1 1823704257 CPZWDNILSVDSIL-HXUWFJFHSA-N 479.846 5.302 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c1 1823939752 JFDOMAFJTXNWNZ-CJAUYULYSA-N 481.999 5.653 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824534808 ZYFXBYCLMGYPRS-KJWVINOWSA-N 482.612 5.293 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1826694745 QEDGKRXQDLXQSU-HSZRJFAPSA-N 456.030 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1827172142 ITEYVROCCABTQA-KPURRNSFSA-N 496.655 5.661 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827779264 PHKURXUZJSNUHY-XMSQKQJNSA-N 467.576 5.533 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1 1828822188 YDRBZIWHPXBLMA-XUZZJYLKSA-N 477.020 5.246 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(OC)c2)CC1 1828830127 LOTFHYYFJDZIHX-ZZXVIJKLSA-N 450.623 5.097 30 20 JKED COc1ccc(F)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828907793 JFSXEHLYLISPOC-DEOSSOPVSA-N 486.704 5.119 30 20 JKED O=C(c1ccc(Oc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828999492 UFWZIPXHIUWGOA-ONWFOFBKSA-N 499.611 5.424 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)CC1)c1ccccc1 1829198229 MMBAFDGYTSASAE-ZCYQVOJMSA-N 496.026 5.305 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)CC2)c1 1829582213 NBVNSXDKXGHRRF-XMMPIXPASA-N 496.636 5.573 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622605 OOPVZCMKSGDYIC-MUUNZHRXSA-N 495.667 6.033 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3F)CC2)ccc1Br 1829879558 QPEDYFIMKIGTPP-HSZRJFAPSA-N 498.396 5.007 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830494410 XQYANJRROYTSDF-SVBPBHIXSA-N 490.644 5.285 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830606296 NDCHKRSAXAALSP-HSZRJFAPSA-N 459.030 5.166 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c(C)c1 1830696055 VFFLSLFRQWKWQS-ZUTVHTERSA-N 494.657 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)Sc3ccccc3)CC2)c1 1830764927 AFVWWVOBPIDBOW-RLWLMLJZSA-N 475.658 5.281 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1830766289 DSEMBYCHDNUKJV-SANMLTNESA-N 482.584 5.069 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1)C(F)(F)F 1830829621 CHPFPWWJSJROPX-OAQYLSRUSA-N 479.930 5.240 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307367 RNCVTGFWIYDUJQ-DEOSSOPVSA-N 495.491 5.529 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1831374859 JGCLIEADNSIXBJ-CYFREDJKSA-N 483.056 5.186 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1831447753 RIHIRSNWVWXHSZ-IBGZPJMESA-N 476.461 5.289 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1831851674 REICECSAMGZPKF-XMMPIXPASA-N 481.036 5.539 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1832028520 VTKJPUPTHSIVFT-BUXVXPHYSA-N 475.677 5.178 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1832029767 OCJGPTOPWXCQHS-AREMUKBSSA-N 479.665 5.161 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)c12 1832633746 LWXGTPPHWUINDI-IBVKSMDESA-N 498.627 5.351 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1832690857 RJKPIWQTYYTYCS-HSZRJFAPSA-N 485.962 5.231 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832709224 YFUJCXRSHWZYOJ-VQTJNVASSA-N 474.564 5.032 30 20 JKED CO[C@@](C)(C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1cccc2ccccc12 1832786729 ZNXRLWDBVRYXQI-LITSAYRRSA-N 487.644 5.015 30 20 JKED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)C1 1845048492 OCKLTWUGIMCMOW-SALGDXJJSA-N 497.680 5.196 30 20 JKED O=C(/C=C\c1c[nH]c2ccccc12)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C#Cc2ccccc2)cc1 1848140451 VEUOFFNEGPAADN-ZZISEEPBSA-N 485.587 5.097 30 20 JKED CCCCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccc(OC)cc1 9483095 BHRWWFUDZFFUSM-UHFFFAOYSA-N 455.971 5.010 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)nc2sccc2c1=O 10494525 HSQLNZHIKNABFO-INIZCTEOSA-N 498.680 5.237 30 20 JKED COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 10911822 UXTRFVQAMMHWLA-AWEZNQCLSA-N 495.875 5.105 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158782 PYSNMLYVYRNAJP-UHFFFAOYSA-O 488.416 5.665 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)c(C)c2)cc1 11162278 DFIRSMOWUHOYGJ-UHFFFAOYSA-O 467.605 6.824 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)cc1 11252065 SJAXZUBJDJVSDJ-UHFFFAOYSA-O 495.571 5.359 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1cccc(Cl)c1C 11256699 UWDZYLRAKDKMTP-UHFFFAOYSA-O 454.959 5.457 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccc(Cl)cc1 11450074 LZSWXQRNRNISPI-UHFFFAOYSA-N 498.233 5.931 30 20 JKED COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCc2cn3ccccc3c2C#N)cc1OC 14048122 IMPLZBMSOIILPJ-UHFFFAOYSA-N 489.915 5.091 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)n2-c2ccccc2)cc1 21680651 ZJAUYYSYYWXUGX-HXUWFJFHSA-N 483.597 5.370 30 20 JKED C[C@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)N(CCC#N)c1ccccc1 22079737 LSRMKFNBMJIDAU-INIZCTEOSA-N 455.381 5.062 30 20 JKED Cc1cccc(C)c1-n1c(SCC(=O)Nc2ccccc2SCC#N)nc2ccccc2c1=O 22156853 FRMJQQYNROTGIM-UHFFFAOYSA-N 486.622 5.349 30 20 JKED C=CCN/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccc(Cc2ccccc2)cc1 22687226 KHLMYYFDLFEBJN-UHFFFAOYSA-O 466.424 5.042 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)NCCc2ccccc2)cc1 22735113 CQQYSNJHPMQGRB-UHFFFAOYSA-O 496.494 5.805 30 20 JKED COCCN/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 22792726 GAXNIEZUUCLWGM-UHFFFAOYSA-O 474.433 5.047 30 20 JKED CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 71934802 XOEGVAIADJCKFX-QHCPKHFHSA-N 472.589 5.684 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 72046213 ROXYGIYCZGMRAG-UHFFFAOYSA-N 477.524 5.076 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 105672373 KEBBNIWIMAHWAI-UHFFFAOYSA-N 465.937 5.487 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)nnc1-c1ccccc1F 195677247 WGNILSDIAFMBOA-XMMPIXPASA-N 490.629 5.598 30 20 JKED CCN(C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H](C)c1ccc(C#N)cc1 302949949 BVYDJLPVECDOEP-DLBZAZTESA-N 453.995 6.098 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 303140136 KLCPITHNUPGUSD-QGZVFWFLSA-N 454.448 5.756 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccc(OC)cc1 476851354 QCJAWKOUYYLLFG-HNNXBMFYSA-N 451.527 5.491 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccncc4)c3)cc2F)c1 481743969 QQKWXKOKERRMSI-UHFFFAOYSA-N 495.514 5.245 30 20 JKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 481905204 ATBLXRFROLFAKA-UHFFFAOYSA-N 472.932 6.105 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)cc2)c1 485125260 PMABLPZOUORLSV-UHFFFAOYSA-N 450.413 5.096 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)c2)cc1 486607283 RFAAOFVJHAACMB-OAQYLSRUSA-N 468.488 5.559 30 20 JKED Cc1ccc(-c2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)s1 486978859 USPPLVWUFQHKPX-UHFFFAOYSA-N 486.645 5.125 30 20 JKED Cc1ccc(C[C@H](C#N)Sc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cc1 494168196 HRAHQBBBDKUBEF-RBUKOAKNSA-N 465.644 5.051 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(OCC3CCCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 498504637 JEEKLTMITUMNNG-UHFFFAOYSA-N 473.533 5.583 30 20 JKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2)C1 499187244 DJHNACKUEHOBKO-YADARESESA-N 487.560 5.720 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 499303512 ZLZQSUKHQMHDNB-UHFFFAOYSA-N 462.394 5.508 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)c2ccc(OCC)cc2)c1 500748747 IUAWZACATSZSSS-UHFFFAOYSA-N 499.032 5.787 30 20 JKED Cc1noc(CSc2ccc(C(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)cc2)n1 501160372 LPPRSHWPRRVXAX-UHFFFAOYSA-N 472.545 5.837 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)cc1 501427565 XNUOAPHHNBTMEZ-RUZDIDTESA-N 467.569 5.131 30 20 JKED O=C(NCc1cccc(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503230828 CVJXPOMXNFNBQW-UHFFFAOYSA-N 466.744 5.027 30 20 JKED CCc1ccc(N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2nc3ccccc3s2)cc1 505879574 JYCLGOVIDCPJFA-UHFFFAOYSA-N 480.597 5.687 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507902331 MTFSCRXTZJHUKP-UHFFFAOYSA-N 491.473 5.748 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 507998863 NKZYQWYOMGZDHC-UHFFFAOYSA-N 476.001 5.351 30 20 JKED C=CCn1c(SCC(=O)N2CCCC[C@@H]2c2ncc[nH]2)nnc1-c1ccc(Cl)cc1Cl 509955110 WQOXLZWHXTVHTA-QGZVFWFLSA-N 477.421 5.007 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(OCC)c(OCC)cc1Br 511025485 FJQQKBAEOHYYSN-UHFFFAOYSA-N 463.372 5.475 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 514522634 HHEYBKVYFUKAJQ-OAQYLSRUSA-N 469.010 5.249 30 20 JKED CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 515130480 XUJGDZLDBQCNEF-HSZRJFAPSA-N 482.005 5.277 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cc(Br)cs2)cc1Cl 517164443 FJEWXVFEUZKXME-SFHVURJKSA-N 488.794 5.074 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 517858879 HAQPVANPSCJXJG-UHFFFAOYSA-N 454.523 5.150 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2)c(C)c1Br 517891270 RLBFUDPHRLJDMU-SFHVURJKSA-N 478.375 5.260 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(COCCc4ccccc4)c3)CC2)cc1 519944019 AMPZWSNTTABYBE-UHFFFAOYSA-N 468.601 5.057 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(-c3csc(C)n3)cc2)nnc1-c1ccc(Cl)cc1 520006942 CLGGAGHTCVMQTO-UHFFFAOYSA-N 496.061 5.625 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)cc2)c1 522022193 HNGUQVMAOKAUHK-XMMPIXPASA-N 487.968 5.910 30 20 JKED Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 523669356 XPGFBHQJRVJZCM-UHFFFAOYSA-N 457.599 5.247 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 552118418 HHLHFAKDUZMENA-UHFFFAOYSA-N 477.484 5.168 30 20 JKED Cc1nc(NC(=O)[C@H](C)Oc2ccccc2C#N)sc1-c1nc2ccccc2n1C(F)F 561310681 MDJDTZQUQKYUDT-ZDUSSCGKSA-N 453.474 5.141 30 20 JKED CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 587992314 RVMKPGAEUDLSBU-SFHVURJKSA-N 459.365 5.458 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)cc1C 594668403 UHNIOSNMBILHJR-COROXYKFSA-N 493.655 5.063 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)cc1Cl 603810433 WOINWIBJWNWQSX-AREMUKBSSA-N 482.971 6.291 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3sc(-c4ccccc4)cc3C#N)CC2)c2ccccc12 603968976 QUJDTVLIVDYSSL-UHFFFAOYSA-N 495.604 5.939 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(Br)cc4)C3)cn2)c1 604086866 NOGJEJREHDJBJQ-SFHVURJKSA-N 492.377 5.156 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 604135170 IOTGRLVVINEZDY-ISKFKSNPSA-N 461.949 5.210 30 20 JKED C=C(C)COc1cccc(NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)c1 608947230 SFBXJZJCTPZSPJ-UHFFFAOYSA-N 455.605 5.103 30 20 JKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCC(Oc6cccc(C#N)c6)CC5)(C4)C2)C3)cc1 609184789 GUHOOYFUQBXZCD-GVYIAWKKSA-N 470.613 5.475 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 609377994 NIGWRRFIRFAMHW-JKSUJKDBSA-N 472.035 6.507 30 20 JKED Cc1cc(C)n(-c2ccc(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)n1 609378558 OZLJUXLKWOLJTL-UHFFFAOYSA-N 458.509 5.695 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1ccccc1Br 609437502 CCVLHBRGZGEYTC-DLBZAZTESA-N 488.451 5.782 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)c2C#N)C1 609563140 TXMDCDVQPVUUOV-KRWDZBQOSA-N 457.599 5.389 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)n(-c2cccc(F)c2)c1C 611169079 DTQLYGBHWXGFHF-INIZCTEOSA-N 489.576 5.565 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nnc(-c2cc(C)c(CC)s2)o1 612653990 BXVOJJDUUHKGMV-UHFFFAOYSA-N 488.038 5.971 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccccc1OC 617994606 PKYANUXJJSHKRS-LJQANCHMSA-N 450.608 5.058 30 20 JKED C=CCn1c(S[C@H](C(=O)N2c3ccccc3C[C@@H]2C)C(C)C)nnc1[C@H]1COc2ccccc2O1 639395130 YCTVHBIJGGDIMR-GLYQVZKVSA-N 490.629 5.071 30 20 JKED O=C(C[C@H]1S/C(=N/CCc2ccccn2)N(CC2CCC2)C1=O)Nc1cccc(Cl)c1Cl 726108181 KBRQAFOKHUGGJX-WRQPMBBJSA-N 491.444 5.060 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(Br)cc4)CCOCC3)n2)cc1 726325926 XABBRAFSXPSBDT-HXUWFJFHSA-N 497.414 5.506 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCc1ccccn1)c1cccs1 726422391 VXEWSWMDUABAAV-DRCMCLHKSA-N 499.061 5.429 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)cc1Cl 726570529 DHTZPVSWRRTXNS-UHFFFAOYSA-O 484.988 6.615 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)cc1 726696242 NANIIJZJKOWLJN-AREMUKBSSA-N 496.592 5.465 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c12 727919162 QGWBBWKUWKIPJW-MRXNPFEDSA-N 490.491 5.237 30 20 JKED C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)NCc1ccc(OCC#N)cc1 727942500 OALJLAPUZIBKQS-FDDCHVKYSA-N 484.987 6.142 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CCCCC#N)c1cccs1 728778785 UUORZQNJAVWVNC-KFNSLDQGSA-N 493.029 5.624 30 20 JKED COCCOc1cccc(F)c1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(F)cc2F)n1 729240124 BKVNKSHCXIKHDB-VQHVLOKHSA-N 476.476 5.166 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2ccc(OCC#N)cc2)cc1Cl 729242122 ORPCKUWZPAQBER-STZFKDTASA-N 496.013 5.990 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(C3CCC3)C2=O)c(OC)c1 730458970 DEYHQWARZRGEIM-QHCPKHFHSA-N 481.618 5.340 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc(OCc3ccccc3C#N)c2)NC(=S)N1 731339349 UUWPESVNIUZNTB-SANMLTNESA-N 482.609 5.186 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(OCCc3ccccc3)CC2)c1=S 742556957 PBQMZEUHMNWDKN-UHFFFAOYSA-N 452.599 5.087 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1 746696259 LMPQWQKRADVGGU-QHCPKHFHSA-N 454.555 5.328 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c1 747603550 SVDFPFBLEWDWLP-NRFANRHFSA-N 482.606 5.368 30 20 JKED Cc1sc2nc(CCC(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)nc(O)c2c1C 750396623 CIOOADXNTNBYDO-IGLNGXFKSA-N 492.670 5.747 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OCC(F)(F)F 750404523 TVXJPHXIGUTGSW-CQSZACIVSA-N 496.457 5.847 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)cc1C 799213765 WKAPDBPSBSSDLO-KRWDZBQOSA-N 471.451 5.104 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)cc1 799220075 FMIZRKBFADNWGV-KRWDZBQOSA-N 485.915 5.180 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)Nc3ccc(C#N)c(Cl)c3)c3c(C)noc3n2)c(C)s1 813304407 XRGPAGHOOVUKRP-UHFFFAOYSA-N 480.933 5.197 30 20 JKED CCOC(=O)c1sc2cccc(F)c2c1CSc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 824960095 QOVZMFOFCXLLSR-UHFFFAOYSA-N 495.557 5.552 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 837784618 OPWDVIOFAGQROG-IERDGZPVSA-N 464.978 5.457 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C3CCC2CC3)c1 872875243 CWAAOEKSBCYNOE-UHFFFAOYSA-N 465.402 5.142 30 20 JKED CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(O)Cc1cccc2ccccc12 901367459 GXUZEIHZKLZVCJ-OAQYLSRUSA-N 477.413 5.416 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C 915100586 WDBNBVXGFDDCOW-DOTOQJQBSA-N 499.621 5.449 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1OC 916134353 OPTYIMMLYVDSHG-SDQBBNPISA-N 465.933 5.579 30 20 JKED COc1ccc(C(=O)/C=C\c2cccc(/C=C\C(=O)c3ccc(OC)c(OC)c3)c2)cc1OC 916137725 PENJNWUNTMPZMH-JMVBYTIWSA-N 458.510 5.513 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCC(C)C)c1 916206053 LVZJWGMGSWBWQZ-FQEVSTJZSA-N 493.551 5.720 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccn2)C1=O)Nc1ccccc1F 916210607 FQUXZCVJFNBFKJ-FQEVSTJZSA-N 468.941 5.035 30 20 JKED COc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1OC 916738084 TYSINYMUVFAVQH-UHFFFAOYSA-N 461.499 5.123 30 20 JKED Cc1cc(C)c(N2C[C@@H](C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)CC2=O)c(C)c1 916909070 OUEPWXMSFFBFKC-GMAHTHKFSA-N 481.552 5.105 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 916914514 MHEMQYCSKKYSLK-FQEVSTJZSA-N 477.586 5.440 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 916955572 RTNIYLIDPMJQDR-CLOONOSVSA-N 478.552 6.187 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1Br 916974607 NTJXBWFRCJBMIV-KRWDZBQOSA-N 455.377 5.699 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)c(OC)c1 917030231 DVOHFTVCYUJJLC-UHFFFAOYSA-N 496.596 5.294 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)[C@H](C#N)c4nc5cc(Cl)ccc5s4)CC3)c2c1C 917043068 GQPGPQJKHZOROL-INIZCTEOSA-N 482.034 5.664 30 20 JKED C=CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 917045278 XICSWHZHKWEEHH-IEXSPKMKSA-N 458.461 5.778 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1ccc(-n2cncn2)cc1 917212069 MXASRKLLARNNLM-UHFFFAOYSA-N 459.575 5.060 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2sccc2Br)cs1 917560552 QRLAFXLJMUWSSE-QPJJXVBHSA-N 467.797 6.201 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 917668957 NIMVASXHHAVIBZ-NTKDMRAZSA-N 487.629 5.178 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)Nc1ccccc1F 917703211 ZMDLIHJGVLTQPC-IBGZPJMESA-N 475.467 5.502 30 20 JKED Cc1oc2cc(OS(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2c(=O)c1-c1ccccc1Cl 917867889 IJSROUGOVWTRIM-UHFFFAOYSA-N 486.332 5.715 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCCOc1cccc(C#N)c1 918900647 YDMYUFVUBWEFDZ-INIZCTEOSA-N 491.594 5.179 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cs2)cc1 920138910 LSITWJOJBDSQAC-NRFANRHFSA-N 475.595 5.760 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@@H]2CCc3cc(C)ccc32)C1=O 920170422 LNYIBTBWGPJSIG-RTBURBONSA-N 462.402 5.057 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 920359069 GZILHHALIAMVDZ-QHCPKHFHSA-N 494.592 5.714 30 20 JKED N#Cc1ccccc1/C=C\C(=O)Nc1ccccc1NC(=O)c1ccccc1I 921154587 WHNZUAPYFYVABN-YPKPFQOOSA-N 493.304 5.067 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c(Br)cc1O 921262106 PVIWUXVAKHNNBH-XFXZXTDPSA-N 482.330 5.077 30 20 JKED CCOc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 921263633 HVBANEXDEISCLW-CAOOACKPSA-N 491.471 5.401 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ccccc4c3Br)C2)C1 1782442923 SXOHQAISVGDTLI-SANMLTNESA-N 499.449 5.038 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1786373858 PIRFDMDMJGMEHI-IBGZPJMESA-N 483.568 5.767 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c(C)o1 1787345254 ZGIJVWFTZCYESU-UHFFFAOYSA-N 450.655 5.695 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789167781 PTIUBKPTVWRRAG-NHCUHLMSSA-N 497.680 5.616 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccccc45)cc3)CCC2)c1Cl 1789282898 AEAKJKQROBDIOM-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c5nncn5c4)cc3)CCC2)c1 1789481061 VLYXXZJUVPLWJP-KRWDZBQOSA-N 498.974 5.071 30 20 JKED C[C@@H](Cc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790082775 OOIIHQWXKRLPMK-SFHVURJKSA-N 472.976 5.233 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(Cl)c3)CCC2)cc1 1790511042 JCKUSPDXHKHMCB-UHFFFAOYSA-N 499.007 5.384 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5o4)cc3)CCC2)c1 1790852914 WXNHCMMYJNVYAB-GOSISDBHSA-N 464.525 5.516 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)NC(=O)CC5)cc3)CCC2)c1 1790982482 XWICPPPBJGTTSH-IBGZPJMESA-N 492.579 5.260 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1791300796 YWBKPAHMGLLQEK-UHFFFAOYSA-N 490.510 5.782 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CCC2)cc1 1791593051 CWANPSYXXOFASI-FQEVSTJZSA-N 457.615 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792386163 IXLJJXLGXBVAIB-XMMPIXPASA-N 495.664 5.536 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)ccc3[nH]1)C2 1792573577 LISONPPHSYDXLH-REPLKXPHSA-N 472.427 5.175 30 20 JKED Cc1ccc2nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(C#N)cc(C(F)(F)F)c3)sc2c1 1800740385 SBZSCOWFSXBRCZ-REPLKXPHSA-N 498.530 5.061 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1802438064 REXXIQKRXPNFKE-BJSBLRLRSA-N 451.636 5.245 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2ccc(F)cc2F)[C@H]1c1cccnc1 1802493334 VYZQBIWINBXFMF-CYFREDJKSA-N 487.616 5.150 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1802502673 LEOJOCLPZNRVTB-HTAPYJJXSA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1803087322 ROOWMYXWWAMPJG-NZQKXSOJSA-N 472.416 5.476 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803224005 YZZIDQRKCBRVDU-UTKOEOAASA-N 492.063 5.518 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[C@@H]2c2cccnc2)C1 1803224896 MZTMDXVRRYWAAF-ZODMCCGTSA-N 466.025 5.147 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3cnccc3C(F)(F)F)C2)CC1 1806891395 VMJYXMZHTGZQHK-UHFFFAOYSA-N 479.587 5.257 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1810180881 ACNSXHKONCLMQV-MZKUHISZSA-N 453.671 5.852 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccs2)[C@H]1c1cccnc1)c1ccccc1 1810443600 HYGDMSKKJAZYHT-QPSXNHGISA-N 483.637 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810591630 SFADUBAFMVOTEF-PLXFJCCSSA-N 496.051 5.610 30 20 JKED CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1811743989 URTRWXKHFBOTMS-BVAGGSTKSA-N 487.003 5.193 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811748856 DMOZFSIXFAWULK-UZUQRXQVSA-N 497.357 5.033 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c1Cl 1811850903 VVMZKPUTZYTURA-JYFHCDHNSA-N 484.987 5.117 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1811946123 CEUHBEMKYJASAL-SQJMNOBHSA-N 481.612 5.320 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc(Br)cc(C(C)C)c3)[C@H]2c2cccnc2)C1 1811984255 SQRGTTQAPHVCRP-NTKDMRAZSA-N 496.449 5.253 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1812590218 LXYMELFRKKFPSF-YEEURNOCSA-N 469.585 5.406 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1812590487 PHJZRVBKPNSFQI-JEYPMZLKSA-N 469.585 5.406 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2OC)[C@@H]1c1cccnc1 1813912674 MSVIRNMWSRGISB-KNQAVFIVSA-N 470.013 5.056 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccncc3-c3cccc(C)c3)[nH]n2)C1 1814394010 VUUWSSWZWXCBLB-XMMPIXPASA-N 455.562 5.052 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1815206688 RPOFVNIVGADQHP-NRFANRHFSA-N 491.617 5.166 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnn(C(C)(C)C)c2Cl)n[nH]1 1816198198 QHYPEQCVDGXLKH-VQIMIIECSA-N 473.021 5.089 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnccc3C(F)(F)F)n[nH]2)c1 1816425710 DLLAZHRARJCZCO-VFNWGFHPSA-N 496.493 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679760 OOZPZELTQYKFQA-SFHVURJKSA-N 486.041 5.971 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1818290393 HAMZVWKHDXKNGT-LJQANCHMSA-N 485.466 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)sc2C1 1818647520 OUUZNNPRLYSPNP-ZSGQJBBISA-N 490.629 5.027 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cccc2F)[nH]n1 1819386812 KFCUIOUDLLEMNE-FQEVSTJZSA-N 472.612 5.045 30 20 JKED CC#CC[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3nc(C)ccc3o1)CC2)c1ccccc1 1820028694 IQTFSLLOMXPALI-VQTJNVASSA-N 498.608 5.016 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115835 NILHPZAQOPOXQS-IFXJQAMLSA-N 479.631 5.244 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3c(Cl)c2OC)n[nH]1 1820236036 UPCCUSJRQKLORN-IIBYNOLFSA-N 496.995 5.122 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[nH]n2)c1 1820307257 WYBOTVHPBOTQNE-FQEVSTJZSA-N 488.935 5.143 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)[nH]n2)cc1 1821177269 XLPWLFXHPZFMFO-HSZRJFAPSA-N 486.963 5.230 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)CC1 1821180826 FCHZPVFHKMCJKF-KIFXHHALSA-N 461.610 5.244 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccccc3c2Br)n[nH]1 1821532082 CXPQQZDTJQEIGQ-LJQANCHMSA-N 467.367 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3c(F)c(F)ccc3c2)n[nH]1 1821548231 LHTBHICFHBZSAA-NQIIRXRSSA-N 479.531 5.310 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)[nH]n1)c1ccc(O)cc1 1822466415 CCPXWDOOLXXQDC-YRMGXDARSA-N 496.611 5.108 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1 1822584034 XASXOSZLHJTNTE-HSZRJFAPSA-N 466.651 5.227 30 20 JKED C[C@H](Sc1ccccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1822729432 HDWAPWYMXJBIBQ-PZJWPPBQSA-N 497.741 5.029 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccccc4n3C)[nH]n2)c1 1823215614 YGMNODNEDRGQLR-KOSHJBKYSA-N 480.572 5.148 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(Cl)c1 1823216033 NGZDQDJURZLSSU-SBUREZEXSA-N 475.980 5.618 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[nH]n2)CCC1 1823376521 INMYBUHIFZOUDH-LJQANCHMSA-N 477.952 5.323 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)[nH]n3)c[nH]c2c1 1823568159 IBHWNZKWBOILJB-VMQHTIDMSA-N 478.556 5.090 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)nc4ncccc34)CC2)C1 1823702729 VCVUGIXEACXJIC-MUUNZHRXSA-N 494.639 5.496 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 1823975168 ZKKVJOBQLWOLAO-QOZRNZOTSA-N 499.076 5.564 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1824056697 ZIEFBUTXCXRQDU-DEOSSOPVSA-N 499.989 5.356 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1824879913 IMIIUOBEFWHDMC-BCHFMIIMSA-N 496.026 5.582 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684559 IKFBAKMMPWVOSR-UTXUYHSBSA-N 478.658 5.219 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732655 HTWNQEJBSVCDHU-XUZZJYLKSA-N 489.081 5.788 30 20 JKED O=C(CCCC(F)(F)F)N[C@@H]1CCc2nc(NC(=O)c3ccc(F)cc3C(F)(F)F)sc2C1 1827856329 CFHXZKSQGVTXTI-LLVKDONJSA-N 497.436 5.259 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1828344936 RINMHMFUZSCSGN-AREMUKBSSA-N 475.658 5.201 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)[nH]c12 1828544189 GFSVGYZIKBWDJX-BREAQWACSA-N 489.641 5.210 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(Cl)cc2Cl)CC1 1828824113 JYLYSHMOETVTGM-PZJWPPBQSA-N 464.437 5.390 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(OCC(C)C)c2)CC1 1828825474 WXSSNWNEOJPXST-LOSJGSFVSA-N 467.654 5.118 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828829077 XPVFVWOZOYTRPO-DHLKQENFSA-N 451.586 5.309 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829565047 KMVMXDPLUZJPSP-KCWPFWIISA-N 499.655 5.431 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830012492 KSPBDIWHSHHSQM-XMMPIXPASA-N 461.606 5.304 30 20 JKED CCOc1c(F)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1830016298 DATWSZYTPMCUPJ-XMMPIXPASA-N 497.998 5.297 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)cc1 1830057234 IVAVOYAVNDNWAS-AREMUKBSSA-N 483.616 5.105 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830633310 JTUBEEQSBMYFLS-CUNXSJBXSA-N 457.618 5.098 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1Cl 1830750204 MDDZMTAMDPYHNK-VWLOTQADSA-N 476.020 5.636 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1831374865 JGCLIEADNSIXBJ-YADARESESA-N 483.056 5.186 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831718593 KELDEPWTGSWCBP-VCFYHUQZSA-N 487.482 5.385 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(C)CC=CCC3)CC2)cc1C#N 1832411652 QHSSVPMRGBPCRG-SVEHJYQDSA-N 477.649 5.325 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)c1 1832634446 RPHWYJKGMSQMON-FQNJNTOFSA-N 469.629 5.277 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1832747489 LTRNPJXESZRRNR-HYBUGGRVSA-N 467.654 5.117 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3csc(C)c3C)CC2)CC1)c1ccccc1 1837575158 KLCSKZCUTHPMBR-SANMLTNESA-N 492.685 5.174 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)CC1 1838166521 IMXWWPFIPJJYKW-XMMPIXPASA-N 493.673 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)CC1 1838303461 AGFMWAJOLRRSNG-UHFFFAOYSA-N 487.591 5.051 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1841319680 UGZWSAYNWJQYFY-UHFFFAOYSA-N 453.586 5.192 30 20 JKED C=CCOc1c(Br)cc(/C=C(\Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1OC 11332663 SIOUTFOTOZJQII-YBEGLDIGSA-N 461.743 5.304 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)ccc1Cl 12055228 VWNWTMUBHZIEGY-UHFFFAOYSA-N 451.983 5.146 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872466 LZOXVJRVGMVIHC-UHFFFAOYSA-O 476.062 7.091 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1cccc(CO)c1)c1cccc(Cl)c1 14872543 CQAGSHNTAVYIQF-UHFFFAOYSA-O 481.903 5.069 30 20 JKED COc1ccc(CNc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)s2)cc1 16324183 LSQJSBXUMVFQRK-UHFFFAOYSA-N 485.660 5.092 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1[C@H]1COc2ccccc2O1 21088426 ZUUFZJQXNSZPMF-GOSISDBHSA-N 490.557 5.022 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc3ccccc23)cc1 22693268 KRTBWFORGSPLFH-UHFFFAOYSA-O 461.557 6.409 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1ccccc1C 22695710 CSKYMKJAIQSSFG-UHFFFAOYSA-O 454.413 5.658 30 20 JKED C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 24497820 DMEYPHYQWQYLRU-UHFFFAOYSA-N 458.942 5.108 30 20 JKED Cc1ccc(C[C@H](C#N)Sc2nc3cc(Cl)ccc3c(=O)n2CCCOC(C)C)cc1 24839332 OORDVDMBLWRXQB-HXUWFJFHSA-N 456.011 5.400 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)Cc2cc(Cl)ccc2OC)c1=S 26670022 CNQOQZUERNANJU-UHFFFAOYSA-N 462.978 5.070 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)cc2C)cc1 28793465 JRNHEYVFMFBISC-UHFFFAOYSA-O 462.639 5.742 30 20 JKED CCOc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2C#N)c2c[nH]c3ccccc23)cc1OC 29010272 GQLRJMKJAKJLIH-AUSIDOKSSA-N 483.568 5.162 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 107822021 QZXIVSVRAOWBPV-UHFFFAOYSA-N 473.985 6.524 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)CC1 116917380 HEXLWEYUSJVTFY-UHFFFAOYSA-N 495.564 5.938 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccccc1F 218659231 FVGKKDSOIGAOIH-SFHVURJKSA-N 476.581 5.192 30 20 JKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)C1 303039908 ZPQWIVHJMYKSLF-CVDCTZTESA-N 488.588 5.757 30 20 JKED CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 480405633 OFXFGJYEVQSIFV-NRFANRHFSA-N 459.502 5.053 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2F)c1 481569643 MIGWHJYVZGCDIM-UHFFFAOYSA-N 469.520 5.564 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 485696496 RMABPSHIKVKMGZ-UHFFFAOYSA-N 487.300 5.682 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCOc2ccc(C(F)(F)F)cc2)c1 486326976 GAZCTJRNBKRSPW-UHFFFAOYSA-N 499.514 5.117 30 20 JKED Cc1ccnn1-c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487112523 VJRAWEWHARGILY-UHFFFAOYSA-N 467.476 5.371 30 20 JKED C=CCN(C(=O)c1csc2c1CC[C@H](C)C2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491028544 PMFXUGPMLLWRKJ-HNNXBMFYSA-N 472.657 5.233 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 494168598 APGJESQXJVXRLK-ZHZULCJRSA-N 491.547 5.871 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCNC(=O)c1ccc(Cl)cc1 501149692 QCPCCZSHCOHYIF-UHFFFAOYSA-N 463.940 5.403 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)c1 501476252 KOPDOEGJKQDJPZ-VWLOTQADSA-N 481.596 5.439 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 504051321 IQGOOTGFXBLHDA-UHFFFAOYSA-N 481.955 5.919 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)s2)cc1 508324810 LCOJSMIBKZXVNA-UHFFFAOYSA-N 498.058 5.584 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 509209252 GXZASQLWFNCACF-GOSISDBHSA-N 474.586 5.432 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1Cl 510011869 WPZPHVZSTVLETB-UKILVPOCSA-N 474.992 5.018 30 20 JKED N#Cc1cccc(CNC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c1 510206614 CYWZMQVRTPFXIJ-UHFFFAOYSA-N 450.376 5.331 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 511131146 MWOUOWAWZDKUIW-HSZRJFAPSA-N 465.534 5.481 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 512531605 WARDHVPJVKZXBQ-UHFFFAOYSA-N 483.480 5.222 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc(C(F)(F)F)cn1 513215328 WNQFXYXIVHWFLW-INIZCTEOSA-N 465.225 5.525 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1NC(=O)c1ccc(Br)cc1 513681842 KPTDIMAIQIXAAN-LJQANCHMSA-N 487.357 5.387 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)c1 515675428 CGTBJISLEPGCHD-UHFFFAOYSA-N 474.545 6.086 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515675436 DFPBWKFUQYVKIX-UHFFFAOYSA-N 456.889 5.680 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 515825496 LLJIGDJOELBQPQ-HNNXBMFYSA-N 499.596 5.460 30 20 JKED CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515959844 GMEZVYDMQMOKDQ-UHFFFAOYSA-N 451.885 5.130 30 20 JKED COc1cccc(C[C@@H]2CCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 516452636 DNWBOBULSMXMJK-WIOPSUGQSA-N 487.987 5.176 30 20 JKED C[C@@H]1CN(c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cn2)C[C@@H](C)O1 516461407 YYOZLUWEQIRQLB-NUJGCVRESA-N 452.624 5.032 30 20 JKED Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)cc1 517455322 BJAZEOMKPBCBJI-OAQYLSRUSA-N 493.654 5.471 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCOc4c(-c5ccccc5)cccc43)cc2)c1 517531583 BPMNRPVZOSQCAS-HHHXNRCGSA-N 489.531 5.596 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2SC[C@H](C)C#N)c(OC)c1 519433136 SYDLNMPDMIYERP-LJQANCHMSA-N 498.608 6.061 30 20 JKED COc1ccc(CN[C@@H]2c3cc(Br)ccc3SC[C@@H]2C)cc1OCCCC#N 520213745 RTWLKTJDBYCQRZ-NYHFZMIOSA-N 461.425 5.713 30 20 JKED N#C[C@@H](C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 520431558 SFIUORNUJJPNOB-CQSZACIVSA-N 486.290 5.473 30 20 JKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 521209095 QMRHOCHKKMWBTR-QHCPKHFHSA-N 463.965 6.067 30 20 JKED Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1NC(=O)CN1CCCCC1 521392743 HGHRPRMUFNTJMY-UHFFFAOYSA-N 482.584 5.122 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)O[C@@H](C)C2 521733299 DUQADXQWDYAQHE-FNHZYXHNSA-N 490.547 6.175 30 20 JKED COc1ccc(CN2CCC(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 521741945 SFSWIWJMGHOUCN-UHFFFAOYSA-N 485.653 5.501 30 20 JKED CSc1nnc(CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n1C1CCCC1 524438226 WAQBCBOOKRIJBJ-UHFFFAOYSA-N 476.606 5.533 30 20 JKED N#CCCSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 561153026 CQIKVXYLHLQMRB-INIZCTEOSA-N 462.402 5.490 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc(-c3cccs3)nc21 589196273 MZYUUUYUACAYQB-UHFFFAOYSA-N 470.583 5.988 30 20 JKED C=C(C)CN(CC)C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 591485781 IJQRBYALTSHWLU-UHFFFAOYSA-N 484.405 5.079 30 20 JKED O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1cccc(C#Cc2cccs2)c1 592998550 VKVLWUBRUOOFNT-NRFANRHFSA-N 498.391 5.298 30 20 JKED COc1ccc(Cn2ncc3cc(C(=O)Nc4sc(-c5ccccc5)cc4C#N)cnc32)c(OC)c1 603968687 IIUWPZPAAXCKDN-UHFFFAOYSA-N 495.564 5.349 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)CC1 604098732 CFRHHHZZBDJOPK-UHFFFAOYSA-N 484.453 5.211 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cc3c(s2)CCCC3)cc1Cl 604146266 VFUSHQADDFTDBS-NRFANRHFSA-N 463.990 5.191 30 20 JKED CC(C)(CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl 609073871 FMMPLMRSKIYXMF-UHFFFAOYSA-N 478.017 5.650 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)s1 609173089 LHNJZXQGGDZIPW-OAQYLSRUSA-N 459.596 5.683 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2[nH]c3ccc(Br)cc3c2C1 609385491 RXXFNYFVCIIFKS-HNNXBMFYSA-N 483.435 5.321 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nnc1-c1ccccc1OC 613933391 TWWGFPJUPFMTCM-FQEVSTJZSA-N 456.637 5.197 30 20 JKED O=C(NCC1(c2c(F)cccc2F)CCCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623677429 LVCZUSSLOSWNGX-BETUJISGSA-N 458.393 5.549 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nn(-c2ccccc2C(F)(F)F)cc1O 642228013 VLJQAHSEHHQYHS-NXEZZACHSA-N 489.338 5.236 30 20 JKED CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 725753281 MHAMGTPVHDMYMP-OAQYLSRUSA-N 465.619 5.322 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S/C1=N/CCc1ccccn1 726111738 UHVHFLPDLYCUJW-QXOGVRMXSA-N 497.835 5.099 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1Cl 726321536 LPMJSIDAWRETNA-MRXNPFEDSA-N 493.894 5.381 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1cccs1)c1cccs1 726415739 KVFKEOGFFLKKOS-KBYAYAQGSA-N 469.657 5.077 30 20 JKED C=CCn1c(C2CC2)nn(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1=S 726591747 MMVWBQSMGGTPQD-KRWDZBQOSA-N 457.003 5.018 30 20 JKED CC1=C(C(=O)N(C)C)[C@H](c2cccc(OCCCC#N)c2)NC(=S)N1c1cccc(C(C)C)c1 726764555 HWQRSCMTPSURKS-VWLOTQADSA-N 476.646 5.291 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1N(C)C(=O)c1cccs1 728029252 ZGYANGMSOFOPLF-UHFFFAOYSA-N 481.577 6.036 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 729035503 FIFNNPFSWFOUNY-HKBQPEDESA-N 497.602 6.576 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(C)C)c1 729144769 FMNHKUZGQSWNSI-OAQYLSRUSA-N 478.643 5.735 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)c1OC 729428761 GHINOFKSMUWHIW-HSZRJFAPSA-N 475.495 5.444 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ncccc1C 729634728 RSWPYEUMLZIVPM-QHCPKHFHSA-N 458.587 5.113 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc3ccccc3c2)cc1 729669704 JHUACWLEIHCPRV-UHFFFAOYSA-O 459.547 5.120 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1ccc2c(c1)CCCC2 730440728 XGEUSFCVLXIBEG-UHFFFAOYSA-O 471.646 5.809 30 20 JKED CCN(CC)c1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1 730583121 CDITUTLTUXWWJS-UHFFFAOYSA-N 450.395 5.181 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)cc1C 730710371 JJACZSIEVXAOFX-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2cc(C)sc2C)c1 730726747 JEUHESZQJUVOIR-QRWLVFNGSA-N 497.621 5.324 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCOCC2CC2)C1=O 730942752 WMYWFUFMCAMESV-NRFANRHFSA-N 490.000 5.174 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N([C@@H](C)c2cccnc2)C1=O 730944190 SHKLGQRPAGXQFK-YADARESESA-N 488.613 5.429 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)sc1-c1ccc(F)cc1 731077148 KHWVWHBGVHBEIX-OAHLLOKOSA-N 468.575 5.910 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 731332061 CDJOLWLFBRQDCX-LLVKDONJSA-N 465.825 6.964 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2cn(-c3ccccc3)nc2-c2ccccc2C)c1 744797000 VEDRLOZOHBSTGL-UHFFFAOYSA-N 496.596 5.198 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746658618 FWJKGHMUPOFGCG-OAQYLSRUSA-N 452.327 5.908 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cc(OC)c(O)c([N+](=O)[O-])c1)C(=O)c1ccccc1 747149786 HGZJEIJQJQXCAK-STZFKDTASA-N 474.513 5.339 30 20 JKED COc1ccc(/C=C(\Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)cc1OCCCC#N 747361634 SZAFHZAIZFLKGR-UYRXBGFRSA-N 477.973 6.492 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 749339026 XGKFVFMTXNHNKF-AWEZNQCLSA-N 467.234 5.159 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cnn(Cc2ccccc2Cl)c1 767032865 OYUDUHZVEPDFSH-UHFFFAOYSA-N 463.781 5.321 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc(O)c2C#N)cc1 824932644 UQGASWLIMVWHAA-UHFFFAOYSA-N 494.882 5.132 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2ccc(F)cc2)ccc1OCc1ccccc1 839415843 TWOCGDYQXQTLHB-UHFFFAOYSA-N 478.549 5.145 30 20 JKED COc1ccc(/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)Nc2ccc(C#N)cc2)cc1OC 865752917 FAZKSVPLMCNGAL-NDENLUEZSA-N 480.467 5.365 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(C3(OC)CCCC3)no2)c1 904834324 LUHZKSINOCCPGV-UHFFFAOYSA-N 473.982 5.187 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCC2CCCC2)c1 913118404 RRGLFQCZDCKIBU-QHCPKHFHSA-N 478.618 5.186 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](C)Cc2cccs2)C1=O 914694344 HUEMOJGXWYLIAD-VGSWGCGISA-N 479.627 5.348 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(Cc2cccc(Br)c2)C2CC2)c1=S 914783498 JVCBZQXXCGYMNL-UHFFFAOYSA-N 456.413 5.047 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102216 OSCPCHIPGGWSQC-SFHVURJKSA-N 495.395 5.457 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2ccccc2)cs1 915102572 YFSHLIVGPUMNBX-PKTZIBPZSA-N 451.551 5.548 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccco2)C1=O 916206338 NQWNYNIGZBDDEB-NRFANRHFSA-N 483.977 5.411 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1C 916208270 YLQWLAXACSQOQK-IBGZPJMESA-N 461.509 5.445 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1NC(=O)c1ccccc1F 916885937 ALUOEAHFCCLPNT-LJQANCHMSA-N 497.498 5.662 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1Cl 916910919 KPCSBLKUKXBIQZ-CQSZACIVSA-N 462.720 5.582 30 20 JKED COc1cc(-c2cc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)c3ccccc3n2)cc(OC)c1OC 917404610 CZYWBCMAPVMXTP-UHFFFAOYSA-N 484.556 5.608 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 917506704 FNCIQMGIFSWWBJ-PGRDOPGGSA-N 459.546 5.041 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 917613579 OTCAIZRTEMNSLR-UHFFFAOYSA-O 473.578 5.981 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\c2ccc(I)o2)cc1 917803507 FMAPIUFLFATLED-BENRWUELSA-N 484.293 5.181 30 20 JKED COc1cc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(C)C 918258579 VQSHKWXMDZOVMB-JOCHJYFZSA-N 491.975 5.046 30 20 JKED FC(F)(F)c1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccccc3Cl)cs2)cc1 918709262 ACATXFLMAGPWAO-UHFFFAOYSA-N 465.913 5.912 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 919666166 IRYRXVPBFVGGID-IBGZPJMESA-N 455.366 6.247 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nncn3-c3ccc(C(C)C)cc3)n2)cc1 920140666 ASAWKHKYMDKOTA-NRFANRHFSA-N 489.626 5.491 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc(-c2ccncc2)cs1 920269285 SSPHZNDFVMRMMJ-CQSZACIVSA-N 487.429 5.572 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 920269429 VHZRXIDVQDMLLY-QGZVFWFLSA-N 451.349 5.176 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 920871425 SLWHIZLAHFDMDT-SBUREZEXSA-N 479.577 5.222 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)NC1(C#N)CCCCC1 921224345 OIYPMTIZOBZPDP-LBPRGKRZSA-N 452.363 5.005 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(C#N)cc5)cc4)CCC3)c2c1 1785881749 KROBJSVCCJAFTF-UHFFFAOYSA-N 478.552 5.039 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)C45CC(C(F)(F)F)(C4)C5)cc3)CCC2)cc1 1786459205 IJELOMDBLVBCFC-UHFFFAOYSA-N 481.518 5.358 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)[C@H](C)Nc3cccnc3)cc2)CCC1)c1ccccc1 1788033167 GZSPQJUINNVHKJ-WXVAWEFUSA-N 480.612 5.213 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)cc2)CCC1 1788376184 VGHRXIWKCQSEQD-UHFFFAOYSA-N 474.511 5.324 30 20 JKED COc1ccc2c(c1)CC[C@H](CC(=O)NC1(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC1)C2 1789577860 PVXMXEXBQAAMSZ-ABMUTNKWSA-N 499.611 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1789625608 LFOCXIXSTKBNPS-QFIPXVFZSA-N 495.664 5.370 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(C(=O)OCc4ccccc4)[C@H]3C)cc2)CCC1 1790482812 UWIYRUOWSZSRJJ-OFVILXPXSA-N 489.616 5.134 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)cc2)CCC1)C(F)(F)F 1790563159 GGHSNSYSWUZCDG-NYYWCZLTSA-N 483.490 5.442 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1 1790645680 QXZONCWRABXYPW-AMVVHIIESA-N 487.453 5.304 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCc4cnc5[nH]ccc5c4)CCC3)cc2)c1 1790795390 DPCNMDFGQIGNGZ-UHFFFAOYSA-N 477.568 5.124 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)CCC2)cc1 1791243758 DWCNANKGYXJAPN-NLFFAJNJSA-N 473.617 5.013 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4F)cc3)CCC2)c1 1791368492 GTVFTPUWHHZDQT-IBGZPJMESA-N 471.532 5.279 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCNC(=O)OC(C)(C)C 1793005299 QYAKLHQEHHIVPV-WKCHPHFGSA-N 499.643 5.091 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cccc(F)c4s2)C3)c1Cl 1799302571 QIAOJNQGSWMPMO-BJWYYQGGSA-N 467.953 5.131 30 20 JKED CC[C@H](C)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1803369159 XEKGBBRCQAMJFI-TVHSXNCYSA-N 479.624 5.237 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1803418530 URAZOIYYBBCPRS-QUURXOELSA-N 463.647 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](c3ccccc3)N(CC)CC)CC2)C1 1805458631 RCMOXLKZRQXZJL-AREMUKBSSA-N 465.682 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCCN(Cc4ccccc4)C3)C2)CC1 1806570653 PXMJKQZZVMHZAT-AREMUKBSSA-N 479.709 5.122 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810174597 OFPBAODSCZXLLK-MOZWKJSSSA-N 495.623 5.962 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cncc2Cl)[C@H]1c1cccnc1 1810489374 LLDHLEXJVQPRRH-UTKZUKDTSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1810501744 CUHHSESEYPGTJD-RPLLCQBOSA-N 482.628 5.456 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c1Cl 1811421336 YJAMCDZRQIWATJ-WUMBHQOZSA-N 477.008 5.063 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1811941521 GMIVMVKFEBDGKQ-GGAORHGYSA-N 471.523 5.188 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812301957 MKDFWAVSNINNJQ-FQRUVTKNSA-N 485.609 5.220 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1813051359 XCBQZQPRBRFSAE-GJZUVCINSA-N 478.036 5.056 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c1Cl 1813756131 DMHCIRXHBGYWGZ-RLWLMLJZSA-N 484.987 5.117 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)[nH]n1 1814442665 QLAGMDNTYYMWJK-SFHVURJKSA-N 475.037 5.313 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814738613 BJZLDHOYKYZFFM-RUZDIDTESA-N 485.588 5.009 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1815194464 IWSAFTIKETZNEJ-OHYLTARVSA-N 497.039 5.068 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)c(Cl)c1 1815983959 LTBGOBVDLPFAMO-ZEZYUPADSA-N 465.966 5.016 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818114363 VQVDFEAZFIYPFR-OATJLXFUSA-N 490.629 5.342 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)[nH]n1 1819303854 QOWUFXUPZATVGP-RXVVDRJESA-N 489.542 5.217 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1819307994 SBPBHHXQPIMORC-FPOVZHCZSA-N 475.618 5.608 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)[nH]n2)c1Cl 1820218413 WVRVTPSGTKFLIF-URVUXULASA-N 491.954 5.183 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1F 1820496974 MFJPSVZJNBJOCR-OAQYLSRUSA-N 465.916 5.002 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)[nH]n2)cc1 1820549468 WMXLTYKQMFOIRY-IBGZPJMESA-N 486.334 5.347 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)n[nH]2)c1 1821083477 OJKABULSRKWKFR-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1821924664 GLZZSFQMUWZULK-PXAZEXFGSA-N 453.345 5.374 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1822585321 PSZMNQXVPMCJGV-SFHVURJKSA-N 491.817 5.325 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)cc1C#N 1823293786 FTJJNCILMHXFTH-RRZZWSPOSA-N 489.620 5.201 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)[nH]n2)cc1C#N 1823294478 ONABDRXZNMGOLG-CJFMBICVSA-N 499.615 5.568 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(C(F)(F)F)cc1F 1823294698 SJQJSRXVPOUECZ-MRXNPFEDSA-N 494.411 5.606 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603295 WTTMUJKDJNBAJA-SANMLTNESA-N 488.632 5.479 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)cc1 1823681909 FEFNRYSCUXGRTP-SANMLTNESA-N 496.026 5.146 30 20 JKED Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823682350 YYICVNCTSCDSJA-MUUNZHRXSA-N 471.645 5.052 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1823685202 NBVVFLPMAOJTFL-MUUNZHRXSA-N 471.645 5.052 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1823811564 GFQWMLKWFCVHJP-MUUNZHRXSA-N 492.623 5.096 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCOc3ccc(F)cc3)CC2)c1Cl 1823968966 DIEKFQAUZXXZMQ-DEOSSOPVSA-N 497.998 5.053 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)COC2CCCCC2)CC1)c1ccccc1 1824018268 VCVNYFWJRWMALR-VSGBNLITSA-N 478.677 5.153 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1824538635 NAXWKANRBHPANS-WOJBJXKFSA-N 474.564 5.032 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)CC1 1824824232 IYXRJGPJHRERPS-WVNSPRTPSA-N 456.577 5.366 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824858246 PYQBZZOIEMQYMK-AHWVRZQESA-N 470.705 5.368 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2)CC1)c1ccccc1 1825170274 VTCKCEALQFUHCW-URLMMPGGSA-N 485.672 5.140 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1 1825405267 ROSDFAHFZFUHEF-QHCPKHFHSA-N 489.683 5.304 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826285380 GNGIHPKZXWNPOH-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)CC1 1826637697 CXHSSJDLSCPXRR-CLJLJLNGSA-N 482.665 5.025 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cn(-c4ccccc4)c4ncccc34)CC2)C1 1827382010 MZRPQXXJWHWPSQ-HHHXNRCGSA-N 482.628 5.225 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)cc(C(F)(F)F)c1 1827985939 XXBVKRWZOOSOHS-IBGZPJMESA-N 493.913 5.371 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(OC)cc2Cl)CC1 1828821298 JBULTXAQYVREOG-ZCYQVOJMSA-N 473.057 5.279 30 20 JKED COc1cc(C)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828908989 XPZAZSGWVVNBJJ-RUZDIDTESA-N 482.741 5.288 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNc2ccc(F)cc2)CC1)c1ccccc1 1829033488 VXLSCMOKVLAWCQ-WUFINQPMSA-N 489.635 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829671445 JOYTWYAXSSFLEX-RUZDIDTESA-N 451.586 5.309 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1829682676 SDIWFKYPXYUWEV-SANMLTNESA-N 492.063 5.414 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c1Cl 1829690152 MSKUPCKPXNXPFQ-HSZRJFAPSA-N 475.976 5.505 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)c[nH]c2c1 1829959514 QUUMXFRXKNUVQY-ATMJUNJVSA-N 480.612 5.295 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CC1 1830685213 CQYBFHUDNRYBQX-GBXCKJPGSA-N 498.465 5.300 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1831447292 RBZHXTLZBKHSOW-SFHVURJKSA-N 476.461 5.289 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1832028676 UUWNNAUUSOVPNX-HSZRJFAPSA-N 479.587 5.515 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)cc(C(F)(F)F)c1 1832477439 XEPMNUACRRXUSL-QHCPKHFHSA-N 487.566 5.391 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 1832631707 HCVNCMNFCGWGDH-NLFFAJNJSA-N 469.585 5.607 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)ccc2n1 1832632138 KZWYRFYCZAKNCQ-LGGPFLRQSA-N 494.639 5.717 30 20 JKED COc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1832634184 PFWQEWVQPMWLPV-IDISGSTGSA-N 487.644 5.107 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccccc2Oc2ccccc2)C3)c1Cl 1844735674 RXBAHQMNPKVJQT-UHFFFAOYSA-N 471.944 5.135 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(Cc2ccccc2)cc1 10118233 ZDHMLHATZCGCFE-UHFFFAOYSA-O 489.567 5.903 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)n(-c2ccccc2)c1C 10412893 VMTBJYCVBFGRNO-UHFFFAOYSA-N 482.613 5.214 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1cccc(Br)c1 11084836 DZLPCYZZXOYBCQ-UHFFFAOYSA-O 496.494 6.647 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 11089515 FXECHPJOKGZJBB-UHFFFAOYSA-O 464.463 6.573 30 20 JKED N#Cc1ccc(OC[C@@H](O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 15237041 DLORBAQUBOFDEG-HXUWFJFHSA-N 476.989 5.050 30 20 JKED C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16722102 DIJVVCUPQGGRIC-CQSZACIVSA-N 495.395 5.627 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(OC)ccc23)nnc1-c1ccc(Br)cc1 21927592 JWQXHOPICVNZCM-UHFFFAOYSA-N 484.375 5.301 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 22731753 JZZFJBXQBLQXDP-UHFFFAOYSA-O 465.542 5.856 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 36627081 CUPFAPYRARMRJK-UHFFFAOYSA-N 450.898 5.117 30 20 JKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccccc1 72096686 IIECHKUFOFEGLI-NDEPHWFRSA-N 475.548 5.821 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 107805654 LTRYZNQNSULOBL-UHFFFAOYSA-N 455.514 5.276 30 20 JKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc(OC)c1OCc1ccccc1 107830562 JEENLCJYOUMMAQ-UHFFFAOYSA-N 484.474 5.359 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)o2)cc1 108738313 YFUJCTABLFHKMT-UHFFFAOYSA-N 453.517 5.822 30 20 JKED C=CCn1c(SCc2ccc(Br)cc2F)nnc1[C@H]1COc2ccccc2O1 115027474 BYVHGNDCSHPMHQ-GOSISDBHSA-N 462.344 5.171 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2nc(O)c3c(-c4ccc(C)cc4)c(C)sc3n2)n1 476623471 HMBDTEDFFWCNDR-UHFFFAOYSA-N 476.583 5.416 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 480919377 XMVMQYUKVNSUIW-UHFFFAOYSA-N 482.515 5.415 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1C#N 486925424 KTWOZOYQHLJTIC-UHFFFAOYSA-N 460.534 5.125 30 20 JKED COc1ccc(/C=C2/CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1OCCCC#N 494063408 CKSBWEQUSOOHLB-HKWRFOASSA-N 469.566 5.760 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c1 498464711 QCABYZLAEKVETD-QGZVFWFLSA-N 464.591 5.860 30 20 JKED N#C[C@@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2cc(Cl)ccc2s1 501337504 UUNZADYHLKXURM-ZDUSSCGKSA-N 454.342 5.551 30 20 JKED C=CCN(CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1cc(Br)ccc1F 502169719 QHYKFMRWWXHYLP-UHFFFAOYSA-N 483.765 5.030 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502659390 BTRIAACYHKHRPU-UHFFFAOYSA-N 496.571 5.393 30 20 JKED CCOc1ccccc1N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 508277880 IZSXLETUMATOQO-UHFFFAOYSA-N 472.545 5.112 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 508289194 NZNACKZXOSHCAL-UHFFFAOYSA-N 458.518 5.045 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)c2)cc1 508330340 HLTDXGGCXXAGJV-UHFFFAOYSA-N 486.547 5.353 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCC2)nnc1-c1ccccc1OC 510325321 RYEMLGIDZFDFFB-DEOSSOPVSA-N 462.619 5.280 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514489596 WGXAXHQSMRUYPH-UHFFFAOYSA-N 494.960 6.179 30 20 JKED COC(=O)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 516464984 HPLNCBRSGPCYPO-INIZCTEOSA-N 461.326 5.159 30 20 JKED CC(C)(C)c1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n(-c2ccc(F)cc2)n1 517898441 IIIGBCJLKGRFJH-UHFFFAOYSA-N 461.541 5.256 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(OC)c(Br)c(OC)c3)n2)cc1 518516490 GZSDPCMBLNAZNL-OAHLLOKOSA-N 473.348 5.088 30 20 JKED Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1 518738943 GRXKNKOVFRATNS-OAQYLSRUSA-N 493.654 5.613 30 20 JKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2Cl)n1 520959292 XWJFIKAMVHYXSB-KRWDZBQOSA-N 482.009 5.097 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 521733847 IMDTZMFUJOSJAT-NRFANRHFSA-N 497.542 6.211 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 521734323 MAZBZUJDTSMURL-UHFFFAOYSA-N 489.563 5.521 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 524711702 IFUPKRYABGLKAC-HSZRJFAPSA-N 475.932 5.256 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 524711766 LAVGBJWTZAMNSL-CQSZACIVSA-N 454.313 5.414 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589044669 RYEHBZZPSFRXEM-WYUUTHIRSA-N 451.329 5.498 30 20 JKED C=C(C)COc1cccc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)c1 589383027 VAGOLGZTYNUIEJ-UHFFFAOYSA-N 481.272 5.256 30 20 JKED CN(C(=O)c1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1Cl)C1CCCCC1 603982616 LJTRTFZVIBCVEB-UHFFFAOYSA-N 456.011 5.488 30 20 JKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)CSCc1ccc(C#N)cc1 608872250 LNJKVMFVOHJOOG-RUZDIDTESA-N 455.583 5.087 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4F)C3)cc2Cl)cc1 608995663 VATKCUXAEGNOFW-HSZRJFAPSA-N 451.885 5.748 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc(OC)c1OC 609006753 ROKMUNDAEQMZOR-GOSISDBHSA-N 496.976 5.069 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 609072585 SZCNDOBJDCKXTN-HSZRJFAPSA-N 459.933 5.091 30 20 JKED Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)c3cc4ccccc4n3CC#N)cc2)cc1 609164296 LDXIUBYRBLYMCU-UHFFFAOYSA-N 480.568 5.201 30 20 JKED CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1 609382373 CSDRMBGUNFQDIZ-SFHVURJKSA-N 495.626 5.390 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 609401924 KGHJNFATVUXMEL-QGZVFWFLSA-N 488.451 5.571 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 609414909 CLGJQEVYMIEMDE-FQEVSTJZSA-N 466.006 6.254 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 609415386 GTLDLINZYJTNFH-QHCPKHFHSA-N 482.613 5.100 30 20 JKED C=CCN(C(=O)CSc1n[nH]c(C(C)(C)C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 623332203 VBEQXJJSJJGVQR-UHFFFAOYSA-N 482.462 5.844 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)C(C)C 639394124 CDVKFIWMDGWIPB-MHECFPHRSA-N 480.609 5.277 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(OC(C)C)cc1 726416198 SQSAWDXPKJGUOC-FQEVSTJZSA-N 461.534 5.122 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)cc1 726420430 LRNBGQYBXCWXCV-HRQGHCQOSA-N 478.643 5.350 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C/c3csc(N(C(C)=O)c4ccc(F)cc4)n3)SC2=S)c1 726628231 ZXSCNPUJQGRGCC-NDENLUEZSA-N 479.583 5.354 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)NC1CCN(Cc2ccccc2)CC1 727979279 XKNFABOFJADZJP-UHFFFAOYSA-N 470.642 5.397 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccc(C(=O)N(C)C)cc1 728179777 KGGQEFGCFPOZGX-QHCPKHFHSA-N 488.569 5.223 30 20 JKED C=CCc1cc(CNC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)cc(OC)c1OC 728189690 QQSLNECYUURDAQ-UHFFFAOYSA-N 468.937 5.169 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728779072 GKVWSNGSXQDGRB-OAQYLSRUSA-N 485.009 5.311 30 20 JKED COc1cccc([C@H](C#N)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)c1OC 729428767 GHINOFKSMUWHIW-QHCPKHFHSA-N 475.495 5.444 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1c(C)cccc1C 729630965 IGDFTMWIRUJZQM-JOCHJYFZSA-N 494.567 5.446 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730459778 NZWBBWJSASLFHN-IBGZPJMESA-N 477.508 5.227 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1C 730712903 OHVWAHSPRKPOKN-XMMPIXPASA-N 484.581 5.605 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 730943891 MNTNMIHLXBIZLW-HRAATJIYSA-N 464.978 5.457 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944081 QWVGEWLIWMXMCY-WMZHIEFXSA-N 458.587 5.420 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)n1-c1ccc(C#N)cc1 731079553 DKBLLZWXEHFBHB-GOSISDBHSA-N 472.570 5.156 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 731080517 OEPONPPLGZIBAM-INIZCTEOSA-N 478.574 5.081 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2ccc3ccccc3n2)C1=O)NC1CC1 743512317 OFTIKLUXQZMNOR-SANMLTNESA-N 494.620 5.231 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 745060632 AJPDGFOIMTVMLR-UHFFFAOYSA-N 493.563 5.628 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)cc1F 746698009 RNPLXGMSGADYNY-HXUWFJFHSA-N 475.561 5.049 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 750692354 BIALAOVPQGUTHM-IRLDBZIGSA-N 492.620 5.489 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1OC 797187493 PMZPNJIOQWJAAT-UITAMQMPSA-N 455.894 5.172 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1OC 797187511 PMZPNJIOQWJAAT-WEVVVXLNSA-N 455.894 5.172 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1cccc2ccccc12 799209743 CMAURAPYBATODI-DEOSSOPVSA-N 471.582 5.222 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3cccnc3)C2=O)c1 837386045 JXXVYMPEVVUGPZ-WZONZLPQSA-N 474.586 5.120 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)CCc2ccco2)cc1 838034595 XYHFTCCULIJZSQ-WZONZLPQSA-N 477.586 5.270 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O)Nc1cccc(Cl)c1Cl 838572022 USDWNMZXAXGNBK-INIZCTEOSA-N 470.328 5.394 30 20 JKED COc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(F)cc3)=C2C)cc1 839950024 WMDGNSAOYGIWSI-XMMPIXPASA-N 472.545 5.054 30 20 JKED C[C@@H](OC(=O)c1csc(COc2ccc(F)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 900545634 CJTCVTLFASBDSO-CQSZACIVSA-N 499.589 5.247 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 911527076 VTHQDZFOQOPDQP-SECBINFHSA-N 468.189 5.517 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(CCc2c[nH]c3ccccc23)C1=O)NC1CC1 914537693 BGKMXSFBBQEGKV-VWLOTQADSA-N 482.609 5.164 30 20 JKED CCOc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 914542995 DOGMAOQQFLDZEX-QHCPKHFHSA-N 488.613 5.258 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc(F)c3)C2=O)c1 914772673 KJQHCJDJLNFAKX-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5cc(OC(F)(F)F)ccc54)c23)cc1 915048174 AJZCWYQNILQPMO-UHFFFAOYSA-N 469.448 5.334 30 20 JKED N#C[C@H](C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102657 CCRRDDAKEQAYNE-MRJKMQNQSA-N 476.570 5.097 30 20 JKED N#Cc1cccc(COc2cccc(C=Nn3c(S)nnc3-c3cccc(Br)c3)c2)c1 915953915 GRAXUHKUJMNCCB-UHFFFAOYSA-N 490.386 5.329 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(NC(C)=O)c2)ccc1Cl 916085353 LVPGZUHLUSDQTP-UHFFFAOYSA-N 498.004 5.240 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(OC)c1 916205655 KHXMUVKDWRAOJT-NRFANRHFSA-N 490.025 5.044 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916206112 OFWJRGWNXXKLMB-IBGZPJMESA-N 490.944 5.290 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(F)F)cc1 916209597 OLKZNIKEXSSQCP-LJQANCHMSA-N 459.518 5.051 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1F 916209862 STDAVMGYSLBFLA-FQEVSTJZSA-N 486.931 5.174 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1 916212519 OGOOUTQCRZQKDG-XMMPIXPASA-N 489.597 5.173 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 916684264 VHYOEVFHFYBMMT-QHCPKHFHSA-N 475.936 5.258 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916917762 IVXXIROBJDHWBN-HXUWFJFHSA-N 471.513 5.562 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1OC 916935841 WUXJAZXVTXSAIE-GOSISDBHSA-N 494.960 5.027 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc1 916952881 NKCWJAKUXMNTIV-HSZRJFAPSA-N 455.489 5.263 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 916954520 IQFDGPCDJXAAPI-ORAYPTAESA-N 466.632 5.570 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)n2)cc1 916972089 KHUSSQHLHJBMQD-JWQCQUIFSA-N 495.604 5.833 30 20 JKED CN(C(=O)CSCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CCCCC1 916975323 BZVHUNBRHNCPLB-GOSISDBHSA-N 462.040 5.164 30 20 JKED N#Cc1ccc(CSCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996569 LVNDJOIIFSYKEW-KRWDZBQOSA-N 458.395 6.098 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 917697115 WNVFEFASCYPQRA-NRFANRHFSA-N 496.589 5.006 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccn3)C2=O)cc1Cl 917703760 BJBZKJXKYROPPT-JOCHJYFZSA-N 489.988 5.076 30 20 JKED O=C(Nc1ccccc1SC(F)(F)F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918267041 YDVKNDGXUZJRFP-RKDXNWHRSA-N 482.368 5.263 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 918609825 CEFNGTHEGWJUDO-JJIBRWJFSA-N 482.414 5.273 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1csc(COc2ccc(Cl)cc2)n1 918709484 MGBLZOJILQVYNU-UHFFFAOYSA-N 496.832 6.112 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)SC1=S 918782959 PVWBDVUVSHAEAY-MFOYZWKCSA-N 473.526 6.106 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 919665403 VUYDGGHHMQSFJD-FQEVSTJZSA-N 483.351 5.220 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)Nc1ccccc1Cl 920110179 ZJECECZCHPZIPW-LJQANCHMSA-N 471.900 5.229 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 920357064 TTZWJNMSLOCZGY-QIGHUWCUSA-N 493.673 5.265 30 20 JKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806161 HWYHHWAGRIDVOX-ZYHUDNBSSA-N 453.297 6.039 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 921131252 HXCGAKIHCYRREZ-SNVBAGLBSA-N 470.790 6.101 30 20 JKED C[C@@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)N(CCC#N)c1ccc(F)cc1 921388848 SXSZEBZHDODCEZ-FIOICXDGSA-N 466.509 5.445 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785792988 OBXLKQLPGLNGFD-BATDETSNSA-N 494.979 5.098 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)cc4C(F)(F)F)cc3)CCC2)CCC1 1786607315 KRAKUASJEAHFLN-UHFFFAOYSA-N 473.470 5.215 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)CCC2)cc1 1786679475 KBZJSPZTUWGINB-LFYBBSHMSA-N 475.614 5.243 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)CCC2)cc1 1787886188 KXFMIKZWIABEQK-AWNIVKPZSA-N 457.452 5.036 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CCC2)c1 1789004706 SJWNFQRIFPQADU-UHFFFAOYSA-N 465.509 5.375 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)SCC(=O)N4)CCC2)cc1 1789451914 VSIQPEXKAHHGLL-NRFANRHFSA-N 475.614 5.247 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CC3(C)CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789455529 XGPQJSXKMXFMJE-HSZRJFAPSA-N 495.664 5.536 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CCC1 1789739272 AHOBQXCFYFOGHG-UHFFFAOYSA-N 454.304 5.348 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3[nH]cnc3-c3cccnc3)cc2)CCC1 1790028968 DAXDBBMDANJPMR-UHFFFAOYSA-N 499.691 5.271 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncoc5c4)CCC3)cc2)c1Cl 1790084031 VPEHWSBQPLZRJL-UHFFFAOYSA-N 470.916 5.414 30 20 JKED COC(=O)C12CCC(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)(CC1)CC2 1790707883 VGJRCVPOTBYDIW-UHFFFAOYSA-N 499.611 5.014 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc[nH]c5nccc4-5)CCC3)cc2)c(Cl)c1 1790766834 DKUABHWKTALKLK-UHFFFAOYSA-N 469.932 5.101 30 20 JKED Cc1cnn([C@@H](C)C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)c1 1790787512 OAVOKLAQTKRGKW-KRWDZBQOSA-N 495.505 5.091 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Br)ccc4c3)cc2)CCC1 1790910599 FAEVXDZIZUGRHB-UHFFFAOYSA-N 490.401 5.549 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)cc2)CCC1 1791147759 ZGOJBALBLJCXOW-UZINWLIJSA-N 490.648 5.051 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)[C@H](C3CCOCC3)CN4)CCC2)cc1 1791246990 HANPEHOJQCQODT-FNZWTVRRSA-N 487.644 5.582 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791592058 BDZMGVUCDBJXDY-SANMLTNESA-N 469.626 5.124 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)CC4(F)F)CCC3)cc2)cc1C#N 1792168905 MTDIIEBWVYRZSN-DEOSSOPVSA-N 467.516 5.138 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3Cl)CCC2)cc1 1792240259 SWMZRJKTOVRLHJ-UHFFFAOYSA-N 459.933 5.038 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCOc2ccc(Cl)cc2)c1 1794106659 RCJGRMSBYRSJRO-LZQXYRQZSA-N 480.008 5.078 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC1 1795399274 WLHNTQLAJAGQSG-BJESRGMDSA-N 477.690 5.069 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)nc2ccccc12 1797459865 WTTOOEHXIDQNTN-ACDBMABISA-N 482.100 5.191 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c1 1800764578 IRQNRMBMXXAASE-NUNAXRQHSA-N 473.960 5.346 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1802503086 PZFDGAXGSMCDDB-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCSCc2ccc(C)cc2)[C@@H]1c1cccnc1 1803090576 VDVHMQXLLKRDQW-XTEPFMGCSA-N 491.701 5.488 30 20 JKED C=CC[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCC(C)(C)C)C2)NC(=O)OC(C)(C)C 1804013263 GYFTVUZQNJHXMG-BXXSPATCSA-N 491.717 5.481 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1804166317 HKJMUMXZTVRZNA-ITLAICGJSA-N 483.612 5.088 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4c(Cl)cncc4Cl)C3)CC2)c1 1804739598 FGRCMYKBQCAVPF-KRWDZBQOSA-N 485.415 5.174 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(Cl)ccc4OC(F)(F)F)CC3)C2)C1 1804785437 DRCUBGUCIGMEOD-UHFFFAOYSA-N 470.919 5.050 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3)C2)CC1 1809266297 ZXUNFSZWQHFGKU-UHFFFAOYSA-N 473.133 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCNc2ccc(C)cc2C)[C@@H]1c1cccnc1 1810499408 XZPQANVWDVXBSK-SHQCIBLASA-N 476.665 5.199 30 20 JKED CCC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)C1)n1cccc1 1810936800 UCAZICXTHUBXGL-VWLOTQADSA-N 490.648 5.033 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c(Cl)c1 1811752603 QLRMVZWIMUKHMX-WXVAWEFUSA-N 499.014 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4ccoc34)[C@@H]2c2cccnc2)c1 1812233520 NZDSZOPMMGKUMK-OXTYCOSGSA-N 478.552 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1812235155 NVSSJFJPIAQQHP-YADARESESA-N 479.024 5.528 30 20 JKED Cc1c(Cl)ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1Cl 1813768603 PWULWLUQXUDBDE-YKSBVNFPSA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cnccc2C(F)(F)F)n[nH]1 1815792360 NVFCARAHEZIGOE-HXUWFJFHSA-N 491.558 5.441 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4nc(C)sc34)sc2C1 1818145455 CLTIKTJMCHBINE-HZPDHXFCSA-N 466.632 5.055 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4cccc(Cl)c34)n[nH]2)c1 1819224759 OBLNXNSCXLNDFX-JOCHJYFZSA-N 486.963 5.344 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)[nH]n1 1819304877 LOSIDUWCYTYRCT-ICSRJNTNSA-N 476.606 5.003 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1 1819384799 YRHSVFAECHTQJU-URXFXBBRSA-N 468.649 5.164 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1)c1ccccc1 1819521302 LDPRPRUZAIBDRC-ZVUIFXONSA-N 480.559 5.345 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)ccc2OC)n[nH]1 1820654361 IYGQGADEKDMDMP-FXAWDEMLSA-N 456.974 5.146 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823291516 WBMTUYWCUSRMAF-QHCPKHFHSA-N 475.593 5.143 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(Br)c3F)CC2)C1 1823698139 JFLHPMCFTIBYPQ-QFIPXVFZSA-N 491.445 5.107 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)c(OC)cc(OC)c2F)CC1 1823752832 OWDOZGSBHYXGBP-IBGZPJMESA-N 492.607 5.208 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1823885190 HGVKDKJLEOBFJF-VWLOTQADSA-N 482.628 5.389 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1824002693 CRNVNINRSGBRNL-IBGZPJMESA-N 473.828 5.221 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)C)nn2CC)CC1 1824144090 ZFTHXCYVCWMICZ-DEOSSOPVSA-N 454.659 5.028 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(OC)cc2F)CC1 1824145130 TUDKCSHEQOZUGH-FXXWNWNUSA-N 468.613 5.236 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4sccc4c3O)sc2C1 1824180129 XIOZQHDTMHBFMH-GJZGRUSLSA-N 467.616 5.058 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC(=O)OC(C)(C)C)CC2)c1 1824219815 CKFNYACCJUPEIM-SQJMNOBHSA-N 495.664 5.059 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1824512190 XXDSEAGYPVZPKH-WZONZLPQSA-N 481.464 5.137 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCC#N)CC3)ccc21 1826692123 DOOQBEKVXNYGNF-VWLOTQADSA-N 470.617 5.351 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cccs3)CC2)c(Cl)c1 1827079097 QIXSUWSFSKHXGN-ISGGHPHESA-N 468.022 5.220 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc(C)cc3)CC2)C1 1827333821 GILQGTDBVNRILC-AREMUKBSSA-N 457.618 5.257 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)n1 1827680245 NKXNSORNXFENEB-NDDJGDGRSA-N 485.675 5.000 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C\c2c[nH]c4ccccc24)CC3)c1 1827694671 ZLIBBVNBKXTXEE-GWHIEVBUSA-N 495.608 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828132800 CNGPEZAZSSOSKG-NRFANRHFSA-N 453.652 5.522 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)CC1 1828933187 PXBMMXISZNCNSA-BELIEFIBSA-N 466.691 5.486 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)CC1 1829390335 RDQWIXBIDCYXIT-HXUWFJFHSA-N 465.560 5.326 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830630123 IQZHAHVBWWAWSL-VWLOTQADSA-N 475.633 5.499 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830714263 VLZGNDXHBIUBLA-UQBPGWFLSA-N 479.621 5.111 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831019210 MRSLQYYQWPCQMW-RUZDIDTESA-N 466.025 5.315 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058893 HSHWKMDQTFNYLS-JYFHCDHNSA-N 478.658 5.774 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1831062637 UWOZAKVNYWHVGL-QHCPKHFHSA-N 455.558 5.123 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 1831851831 APHMKCLNMNXBGC-JOCHJYFZSA-N 493.873 5.068 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccc(O)cc1 1831925563 AVFKBUVEEVQLSL-SHQCIBLASA-N 498.623 5.569 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1832030534 SHYVHDJNWMCMEQ-MUUNZHRXSA-N 496.655 5.657 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)s1 1832174042 QDDHXNSBUGGCBW-CJZRDCOESA-N 461.631 5.069 30 20 JKED CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832704530 NJHFPWJEKPYWCY-VWLOTQADSA-N 465.638 5.325 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)CC1 1836696238 SJSHYBZJXAMLJO-UHFFFAOYSA-N 474.645 5.149 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1 9073422 QQBNKTJXSXUCAD-UHFFFAOYSA-N 454.910 5.439 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(C(C)(C)C)cc1 10118302 CSVMKYQYCPVJAC-UHFFFAOYSA-O 461.651 6.455 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)cc2F)cc1 11248926 JNMJEHXUFHGWCC-UHFFFAOYSA-O 461.504 5.879 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nc2ccccc2c1=O 15230975 PVWJOXZIBUKYRR-DEOSSOPVSA-N 455.583 5.671 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 16772067 RSPQXBZHYXWDAB-MRXNPFEDSA-N 495.674 5.904 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 16832612 WEUSJVDRJQTXAT-AWEZNQCLSA-N 491.842 5.344 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc2sc(-c3ccccc3)c(C)c2c1=O 18541118 PITSDDIKYAFXPZ-OAHLLOKOSA-N 497.592 6.017 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2sc3c(c2c1=O)CCCC3 23404807 PUONNOINCMHJNZ-ZDUSSCGKSA-N 496.683 5.064 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)nc2sc(C)c(C)c2c1=O 23405224 VHTWAFONTJJJTA-OAHLLOKOSA-N 484.672 5.010 30 20 JKED C=CCNc1nnc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)s1 23485897 PHDRZZYSMOVFHI-SUMWQHHRSA-N 474.011 5.241 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC 25438570 GAZHAZPNJQZVAS-UHFFFAOYSA-N 466.541 5.610 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)nnc1-c1cccc(C)c1 26049984 FEESOPMKRLKBPE-UHFFFAOYSA-N 461.572 5.290 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2nccn2Cc2ccccc2)cc1 29792643 OKOUREQOOFGMOD-UHFFFAOYSA-N 452.583 5.068 30 20 JKED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(/C=C/C(=O)c3cccc(NC(C)=O)c3)cc2)c1 33388089 RHKBJYAGDNAXPQ-VCFJNTAESA-N 452.510 5.396 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)nnc1C1CC1 36817740 XXJCTPXWQLQSJS-MGPUTAFESA-N 482.009 5.446 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 46668043 LIGJEQKETVLZBI-UHFFFAOYSA-N 476.540 5.438 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 69643875 MODOPQVBDNAJBB-UHFFFAOYSA-N 470.344 6.368 30 20 JKED Cc1oc2nc(SCC(=O)Nc3ccc(C#N)c(Cl)c3)nc(NC(=O)c3ccccc3)c2c1C 71838727 RKXRQAJGCCOISG-UHFFFAOYSA-N 491.960 5.348 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 107612372 XUOJVAIQTFHOEU-UHFFFAOYSA-N 469.994 5.395 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1-c1ccccc1F 217592093 VMZHBVNNFFMVTH-UHFFFAOYSA-N 452.580 5.906 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nc(O)c2ccccc2n1 255930301 CYMMIGXQMOCKDC-AWEZNQCLSA-N 453.955 5.199 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nc2sccc2c1=O 255931107 UGKVBMNRCFKXIB-UHFFFAOYSA-N 455.630 5.147 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(N4CCCC4)nc3)cc2Cl)c1 303229423 XJHMRZYNVVFDFZ-UHFFFAOYSA-N 461.953 5.108 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)c2)cc1 482335601 UGGNEZCTCJJMSV-UHFFFAOYSA-N 481.961 5.041 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1coc(-c2ccc(F)c(F)c2)n1 483248532 WCIKIQYJNCPUHR-UHFFFAOYSA-N 474.920 5.922 30 20 JKED CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 486539523 XUDFWQGZMYTGGD-UHFFFAOYSA-N 459.365 5.543 30 20 JKED C=CCN(C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491073345 DEAHDTIOTBJZDB-GOSISDBHSA-N 498.670 5.498 30 20 JKED Cc1ccc(C[C@@H](C#N)Sc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)cc1 494130147 FUDNZNVIJYRGQY-FQEVSTJZSA-N 485.016 5.854 30 20 JKED C=CCn1c(S[C@@H](C)c2ccc(F)c(F)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 498733009 GZDKZELRWWLDJA-INIZCTEOSA-N 492.617 5.293 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CCOCC1 502132439 BGJVHFVZYWDXNE-UHFFFAOYSA-N 490.987 5.277 30 20 JKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1cccc(N2CCCC2)c1 505476452 LKAPGWMLHOYODY-LJQANCHMSA-N 470.598 5.067 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 508247468 HLUIHZOLHPAOOC-OAQYLSRUSA-N 463.559 5.634 30 20 JKED C=CCOc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1 509113511 TZZFEFVFQUVLIV-UHFFFAOYSA-N 480.977 5.535 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1 509248955 VMGPZPJMCJCTNN-FQEVSTJZSA-N 456.546 5.270 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 509925364 FHJPNCFBOALGBA-UHFFFAOYSA-N 473.483 5.393 30 20 JKED COc1cc(CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])cc1OC 510007647 WEWBNCDSDIRWQB-FQEVSTJZSA-N 494.935 5.285 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1Cl 510021894 AZCMWUPYTQCCRM-XMMPIXPASA-N 466.972 6.798 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(Oc3ccccc3C#N)cc1)CC2 510673286 ARSVKCSGLLGMMD-UHFFFAOYSA-N 457.530 5.738 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccc(C#N)cc4)CC(F)(F)F)cc3)o2)c1 510977066 HNHNEFHOCJYYLC-UHFFFAOYSA-N 476.458 5.788 30 20 JKED C[C@H](Sc1nc2cc(Br)cnc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 513299721 YPEYVTPCKRIQKB-JTQLQIEISA-N 476.425 5.042 30 20 JKED C=CCOc1c(Br)cc(CNCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1OC 513642124 CTKYKZLCVLLEIC-UHFFFAOYSA-N 495.417 5.873 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 516299349 WXVRPSDZNHYHBA-UHFFFAOYSA-N 496.498 5.240 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 517465984 HCDJSJDZNLWRMH-KRWDZBQOSA-N 463.534 5.125 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)ccn2)cc1 517531399 DAZWIOSQZOFDHA-UHFFFAOYSA-N 466.497 5.868 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)o1 518115018 AACGUMKVKMYDEQ-UOKFIYJESA-N 487.987 5.842 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 518240198 UPADABHOKKYWPO-HNNXBMFYSA-N 458.008 5.951 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 518666485 AYFWXXJAISWWGM-LLVKDONJSA-N 472.876 5.712 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)cc2Cl)cc1 518668176 VBOXQQXGINTFLI-CPJSRVTESA-N 489.959 5.227 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)cc1 518781170 RJGZCEOPDXGFFB-UHFFFAOYSA-N 478.577 5.428 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)CCc1ccc(C#N)cc1 518887793 ANHSXKUTGAWOFK-UHFFFAOYSA-N 451.448 5.709 30 20 JKED N#Cc1ccc(CCC(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 519163502 QMEMYTARFZBPGO-UHFFFAOYSA-N 454.961 5.356 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccc(C#N)cc4)CC(C)C)cc3)o2)cc1 519888231 IHBSJLBMYOAITP-UHFFFAOYSA-N 450.542 5.882 30 20 JKED CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SCCC#N)c1 520806732 MDCXPDWQNLPWTM-UHFFFAOYSA-N 486.018 5.423 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 524438737 TWLCYUABMPSQNW-QHCPKHFHSA-N 453.464 6.261 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2C#N)C1 550991438 JUBRFKQQJCHCSQ-MYYSRTQBSA-N 497.064 5.174 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 557448537 KSKNBQKDZZCZCH-JOCHJYFZSA-N 489.522 5.245 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1[N+](=O)[O-] 571215450 VBCBSRICTIHDEO-UHFFFAOYSA-N 497.511 5.734 30 20 JKED C=C(C)COc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 589741659 OCJCMGZYMBBEFP-UHFFFAOYSA-N 472.383 5.287 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc(-c3c[nH]c4ccccc34)o2)n(Cc2ccco2)c1C 590612359 XSGSRKQKOXPWGD-UHFFFAOYSA-N 486.557 5.270 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 603557543 FCQUBVSKNLLOAW-UHFFFAOYSA-N 464.550 5.287 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604026423 HWYAOGXUBGBPEI-HNNXBMFYSA-N 465.962 6.082 30 20 JKED COc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609087186 XTQOXOXWIMDGJY-DEOSSOPVSA-N 489.959 5.101 30 20 JKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 609163977 DTIVAHCCFLGCGH-QHCPKHFHSA-N 473.001 6.274 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1Cl 609164420 NTHHCSOAJVBMDK-XMMPIXPASA-N 453.929 6.222 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 609173783 XDNBIZQAMBOLHF-AVRWGWEMSA-N 459.571 5.086 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c2)cc1 609208923 KTYPSAJGLLGVCE-UHFFFAOYSA-N 454.530 5.298 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)c1C 609370941 KVDKQOYHSSCHTR-OAHLLOKOSA-N 469.661 6.024 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 609378338 CVAGYAYMTGNKEN-UHFFFAOYSA-N 461.425 5.057 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 609384798 ZZXCOOKNHIFTEU-LPHOPBHVSA-N 450.589 5.383 30 20 JKED Cc1ccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 609404941 XUYLJJBKPGKADD-LJQANCHMSA-N 459.571 5.294 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(I)cc(C(F)(F)F)c2)cc1 609413544 TWCNHGFFZUVGSM-UHFFFAOYSA-N 488.247 5.269 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4cccs4)nc4c3c(C)nn4C)n2)cc1 613314448 PLFKJMNVHOCFNO-SFHVURJKSA-N 469.595 5.927 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 613407080 HNVMZNLXUQVNPV-OAHLLOKOSA-N 451.960 5.778 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nnc1-c1cccc(C)c1 614508407 UAOGHEXTFSDXTR-UHFFFAOYSA-N 479.606 6.012 30 20 JKED O=C(Nc1ccccc1Oc1cccc(F)c1)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618607811 CCBBXHAGGSZVIE-STQMWFEESA-N 478.364 5.146 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(OC)c(Cl)c1 620591030 QXWNFSMOXXEZAB-UHFFFAOYSA-N 464.374 5.334 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccsc2)c1 620990146 ILXJJZRFHIDHHE-UHFFFAOYSA-N 461.008 5.055 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(C)=O)c2C)c1 641898952 JUYBRJQAWORQQS-UHFFFAOYSA-N 498.004 5.240 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl 641924370 MOQAJBVJEQVIPN-UHFFFAOYSA-N 477.417 5.197 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642386954 WKEIEWBGWSYRGO-RKDXNWHRSA-N 456.736 6.390 30 20 JKED O=C(NCc1nnc2ccc(C(F)(F)F)cn12)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 642393190 RATXGTQPCADUIH-UHFFFAOYSA-N 471.283 5.107 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1[C@@H]1COc2ccccc2O1 677560805 XHHQFCYXBVBRDU-FQEVSTJZSA-N 466.950 5.577 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](c3ccccc3Br)C2)cc1 725729653 XVABCCCTVIDIAI-HSZRJFAPSA-N 493.426 5.827 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\CCc3ccccn3)N(CCCC(C)C)C2=O)c1 726107452 DJDZJTKRFTXWSD-PQHDRGKASA-N 466.651 5.006 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\[C@H](C)c1cccs1 726418155 AJIAOFJQDSSVBF-LBFQSERASA-N 494.642 5.050 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S/C1=N\[C@@H](C)c1cccs1 726421741 PEQXVYPADQYTQW-XNHVBAIZSA-N 451.564 5.072 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CCC#N)C(C)C)ccc1Cl 726533449 XZXJSTNPOBLCJU-UHFFFAOYSA-N 480.417 5.139 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Br)cc2)[n+]2ccccc2CC)c1 726573023 WCKSIEGCGMLDIM-UHFFFAOYSA-O 464.408 5.604 30 20 JKED Cc1cccc(C2(CNC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCCC2)c1 727040441 ZERNPNMSERUEPJ-AREMUKBSSA-N 451.570 5.217 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3nc(-c4ccc(F)cc4)sc3C2=O)cs1 727685158 BVIQQXQIZVJKDL-AQTBWJFISA-N 489.597 6.611 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1CCCCC#N 728779391 ZFPKCPBQGFTCPI-FQEVSTJZSA-N 499.980 5.211 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1F 728780807 ZVHBYFUFMHPMOZ-FQEVSTJZSA-N 472.973 5.442 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 729562508 YBPNXVJYNAKJBL-URXFXBBRSA-N 490.604 5.994 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729572261 VSWOLRDXFCKSDF-IBGZPJMESA-N 450.539 5.119 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cccc1C 729631455 NKEVNAODSHKWRM-JOCHJYFZSA-N 476.577 5.306 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F 730484933 YACXAAVDBMLRRD-RYUDHWBXSA-N 458.374 5.376 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cocn2)cc1 730715246 CKZJWEQQSMUPFB-JOCHJYFZSA-N 462.575 5.178 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O)Nc1cnccn1 730715403 MYWSSSDQUGBLGR-ZJSXRUAMSA-N 489.576 5.117 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731311364 ALERRSIPKQQGFH-AOYPEHQESA-N 498.608 5.621 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 743674769 ISEDCMQMKYQYRT-QGZVFWFLSA-N 491.613 5.487 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C2/S/C(=N/C3CCCC3)NC2=O)cc1 747088570 XXKIXXRKZMHMJM-HZHRSRAPSA-N 458.587 5.110 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)n1 747112451 XLPVWXSCYLEYTA-XMMPIXPASA-N 464.525 5.302 30 20 JKED CCOc1cc(/C=C(\C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc(Br)c1OC 747127529 CZBQAKVTLRVGBO-UNOMPAQXSA-N 481.346 5.156 30 20 JKED COc1cc(C(=O)/C=C\c2cc(Br)c(O)c(Br)c2)ccc1SC 747615068 RNOUPZATBNLAHR-HYXAFXHYSA-N 458.171 5.544 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CSCc1ccc(Br)cc1F 748006826 PPZYZARZEGARFC-MRXNPFEDSA-N 459.340 5.203 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2cccc(C)c2)C=C1 748293764 WNKJHSCJFJJABK-UHFFFAOYSA-O 463.579 5.184 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)CC1 748667622 JZIXBVFGAMFMGZ-XQNSMLJCSA-N 468.557 5.196 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 748985036 HUVFVNZHIYNPJV-UHFFFAOYSA-N 478.593 5.100 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 749245835 FNYXGFAWBRQFIM-UHFFFAOYSA-N 496.302 5.476 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(CC)c(Cl)cc23)nnc1[C@H]1COc2ccccc2O1 825111959 VLYVVVHTZQJSDR-JOCHJYFZSA-N 495.988 5.591 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](C)c2cccnc2)C1=O 837517820 MKMWPZDTTAHIKU-VGOFRKELSA-N 479.005 5.765 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccc(F)cc2)C1=O)Nc1ccccc1F 838545043 OJLNQXJUMMEPAH-OAQYLSRUSA-N 487.478 5.404 30 20 JKED N#Cc1ccc(Sc2nnc(CSc3nc4ccccc4s3)n2-c2ccccc2)nc1 875868187 DPGNCWODVNILOY-UHFFFAOYSA-N 458.597 5.587 30 20 JKED CC(=O)Nc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccccc2)c1 913138789 IUCYDSDBARECFB-UHFFFAOYSA-O 489.621 5.052 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2sccc2C)cc1 914551029 WUHPSBFLVXNWOH-NRFANRHFSA-N 495.626 5.234 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@H](C)Cc2ccco2)C1=O 914694639 QBNOCSBDPPCMDL-ZHRRBRCNSA-N 498.004 5.533 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)cc1 914772495 AGXALJRNFJTANE-QHCPKHFHSA-N 495.551 5.272 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2ccccc2)cs1 915102570 YFSHLIVGPUMNBX-DHIUTWEWSA-N 451.551 5.548 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)cn2)c1 915175335 YAJZWFRFEQCJAP-TWVWUCKLSA-N 452.352 5.418 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 915720086 ZAGFEAUDLVZQBM-WUFINQPMSA-N 498.586 5.710 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc(OC)cc3F)cc2OC)cc1 916141424 IWQQORPBGAWSKY-SDQBBNPISA-N 450.462 5.105 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O)Nc1ccccc1F 916217486 OENWFLDLFLRMIG-DEOSSOPVSA-N 484.556 5.534 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1c1ccccc1OC 916231483 DFMIJINVTUFYQO-QHCPKHFHSA-N 475.570 5.177 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1csc(-c2cccc(Br)c2)n1 916277413 GPQZEEVPKAEJIF-UHFFFAOYSA-N 472.393 5.011 30 20 JKED CCCN1C(=O)C(=NN=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)c2ccccc21 916312881 ULHOCCIRIHTQPL-UHFFFAOYSA-N 465.966 5.061 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916628077 LEIDADMCGIZAJY-QFIPXVFZSA-N 472.953 5.950 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916885848 CLZDKDQIMUOXAU-INIZCTEOSA-N 477.945 6.048 30 20 JKED CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2cnn(C(C)C)c2n1 916904847 JNGGGFCTDHOSTE-OAQYLSRUSA-N 481.556 5.889 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)s2)cc1 916907853 XXULZTUXWLVUKK-JOCHJYFZSA-N 497.576 6.271 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1Cl 916940416 MHEHYQHNSBPYSQ-HNNXBMFYSA-N 493.894 5.761 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc(-c3ccccc3)nc21 916945270 ULKULRFTCVUHQP-IBGZPJMESA-N 478.339 5.386 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 916955308 OQELZEMPDCHLBW-MGPUTAFESA-N 450.926 5.184 30 20 JKED CC[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)n1nnc(-c2ccc(Cl)cc2)n1 917045872 BWFPBQCAJBHPDC-GOEBONIOSA-N 457.346 5.084 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(F)c(Br)c2)cs1 917559415 IRTWHAYYNMDUJC-WEVVVXLNSA-N 463.303 5.765 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/SC(=Nc3cc(C)ccc3C)NC2=O)cs1 917561892 BBSPDAOPUCUNCN-RGVLZGJSSA-N 483.018 5.990 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 920102759 YEXWVKZLBNICHV-FQEVSTJZSA-N 470.529 5.589 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 920108945 BOZJOEPUGSUZIG-LRDDRELGSA-N 492.359 5.757 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)c(F)c2)C1=O 920356766 UXKOAVBCOIACKB-JOCHJYFZSA-N 481.524 5.134 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c12 920806288 SDDZADWRXHASAZ-RUZDIDTESA-N 484.563 5.909 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)cc2)cc1 921011114 OYENFTKFVHYVEE-UHFFFAOYSA-N 462.596 6.237 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Oc2ccc3ccc(=O)oc3c2)c1 928996005 QEAQZEXBXOGUAC-UHFFFAOYSA-N 495.940 5.047 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2cccc(C)c2)C1 1777763452 JRTHTQAKAWDGIV-FYBSXPHGSA-N 489.660 5.177 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c(Cl)cccc1Cl)C2 1779513486 JLTZZSVKUGHYQG-NTKDMRAZSA-N 467.437 5.113 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(F)c(Cl)c2)C1 1781116129 BWARPJNXLDQHQH-HYBUGGRVSA-N 483.411 5.028 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cnc5cc(Cl)ccn45)CCC3)cc2)cc1 1785796849 UJQFRLZAERIGFB-UHFFFAOYSA-N 497.986 5.240 30 20 JKED COc1ccc(F)cc1C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785797721 HOFZDDVYFPKPHE-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1786144303 LZEJTARJVFEJBZ-UQAQOTMJSA-N 493.648 5.287 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CCC2)cc1 1786360387 CQSNUMPYTVIBHE-HXUWFJFHSA-N 492.579 5.016 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)CCC2)cc1 1786679118 FFAHNRJOSHFHRV-FNZWTVRRSA-N 477.674 5.169 30 20 JKED Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1 1788822772 KYUFSNQRYFVWCH-UHFFFAOYSA-N 489.373 5.086 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4sc(C)nc4c3)cc2)CCC1 1789048396 PJXBODCYMFRAFG-MRXNPFEDSA-N 464.591 5.153 30 20 JKED Cc1nc2sccn2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1789374792 RZATVXTXVOSRCN-UHFFFAOYSA-N 489.988 5.291 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(C)snc4s3)CCC2)cc1 1790564496 DIOLZKDEUIJUFI-AWEZNQCLSA-N 470.620 5.215 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5cccnc5)cc4)cc3)CCC2)CCC1 1790590946 GURRPHWQSOUCFA-UHFFFAOYSA-N 450.542 5.190 30 20 JKED Cc1nc(CC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)cs1 1790785513 QRZZUCSYPVXYNE-UHFFFAOYSA-N 498.530 5.332 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(OC)c34)cc2)CCC1 1790918045 ANZKHHVAQLHWPO-NRFANRHFSA-N 457.574 5.693 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3occc3NC(=O)OC(C)(C)C)CCC2)cc1 1791300385 CTVIPHVLCMNEEM-UHFFFAOYSA-N 489.519 5.586 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)CCC2)cc1)C(F)(F)F 1791302874 AWWVQZSDYLDJLQ-OAQYLSRUSA-N 485.550 5.151 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3cccc4ncccc34)CCC2)cc1)C(F)(F)F 1791303279 QIRAWZQZHQQYPB-UHFFFAOYSA-N 453.464 5.030 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)cc2)CCC1 1791397625 WFYIMDBSOWMHFJ-UHFFFAOYSA-N 493.648 5.336 30 20 JKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1)c1ccccn1 1791942751 UNVNQQWNUGYDME-KRWDZBQOSA-N 458.949 5.158 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH]c2ccc(Br)cc12 1797885443 XHMYSRPVHJZJIO-ACDBMABISA-N 486.454 5.104 30 20 JKED Cc1ccc(S/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1 1798391132 LSBISDZDCJPULI-WBTUDOLXSA-N 459.615 5.180 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cc(F)ccc2OC)cc1Cl 1799319575 ZNHFSBFEFUWNLA-RZXSNQJFSA-N 484.999 5.619 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1803080850 DYHHKZLFWNYFKV-PXDATVDWSA-N 477.008 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1803094007 ZBEZGLHPYFVIFC-QPPBQGQZSA-N 485.550 5.497 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1804377587 ARMYHYKKABSNPT-REJYRFMASA-N 470.617 5.275 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(C#N)cc4)C3)CC2)s1 1804943876 XLGJXODRYBCTII-UHFFFAOYSA-N 463.647 5.005 30 20 JKED Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)C2)c(C)o1 1808259604 WDPITTGMANMGEN-UHFFFAOYSA-N 480.608 5.455 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809445235 LRUFTXSTXRHSLC-KKSFZXQISA-N 489.975 5.481 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3scnc3c2)[C@H]1c1cccnc1 1809954670 HGWLQBFWROMXJA-NZQKXSOJSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1810181982 NITDTWHCDHSPED-REHUZNOOSA-N 486.443 5.785 30 20 JKED CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1811420145 LTWGYVAFMXGTRE-ZEQKJWHPSA-N 487.003 5.193 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1811788667 YSGXBKUFAPLYKO-AUSIDOKSSA-N 499.011 5.264 30 20 JKED CC#C[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1)c1ccc(O)cc1 1812700912 RJHLAZJVEIYDPG-YUUUYVEDSA-N 489.660 5.207 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)[nH]n1 1814440464 SAADYTVPDCUDJE-PKTZIBPZSA-N 464.610 5.098 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)C#CC4CC4)[nH]n3)c2c1 1817711386 JWRXSJPJNYDCQQ-QFIPXVFZSA-N 488.588 5.082 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817741329 GKHQLDYUMBPASQ-XMMPIXPASA-N 487.604 5.069 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cc(F)cc(F)c2)n[nH]1 1817766201 QGVXLBKAFPYANA-QHCPKHFHSA-N 491.542 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4cc(OC)ccc4o3)sc2C1 1818963320 ICWBWDYRXFRTSK-MRXNPFEDSA-N 467.591 5.116 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985087 ALUJKICNUBZXKO-NRFANRHFSA-N 485.510 5.409 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)C4(C#N)CCC4)[nH]n3)ccc21 1820225742 QQPYKXFOTIZNIL-VWLOTQADSA-N 494.599 5.537 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1)C(F)(F)F 1821127616 OVFJWDUNOXOFLM-HNNXBMFYSA-N 494.823 5.506 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)[nH]n1 1822399280 VWUUFDZKQSHLPX-FQEVSTJZSA-N 467.367 5.207 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)[nH]n1 1822584036 XDJYTFADUYYCEV-DHLKQENFSA-N 452.574 5.174 30 20 JKED Cc1cccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1823125601 BNDJILLDCQIWEK-JOCHJYFZSA-N 489.551 5.136 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n[nH]1 1823295322 GBIOWYGSHZXIBQ-SCLBCKFNSA-N 452.452 5.086 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)c1Cl 1823381873 KVVWOQOCRHYRIA-KRWDZBQOSA-N 460.365 5.025 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CC(c5ccccc5)(C3)C4)n[nH]2)c1 1823593997 UBTLJRXQZNCCQO-NXGPHGMSSA-N 479.584 5.018 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Sc2ccccn2)CC1 1823755149 LVNUELULTKBYOP-IFMALSPDSA-N 457.684 5.174 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1824143669 QYWPFRBJXMCYNR-DEOSSOPVSA-N 466.622 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sc(C)cc3[nH]2)CC1 1824143864 SUAUXGVXANEUEC-HSZRJFAPSA-N 453.652 5.540 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1824960149 ACUDVTXUTHPXPI-XMMPIXPASA-N 474.736 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1825219342 QBDHZULKEVEWAS-DNQXCXABSA-N 491.598 5.421 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccsc3)CC2)c(Cl)c1 1825302732 NTAKSZBVDPDYRJ-BVBLWJPBSA-N 468.022 5.220 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1826193479 BDERBEUKQIOTLK-JOCHJYFZSA-N 485.415 5.116 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)CC1 1826683174 DJPJFUYRTFOKHC-DEOSSOPVSA-N 457.574 5.016 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1828400137 FUBYERRIRGAYEK-VSKRKVRLSA-N 464.984 5.275 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)n2C)CC1 1829066843 WKEHNKPTXWATEU-LJQANCHMSA-N 467.576 5.270 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829573374 PLLJLSUSTJSTAX-ZJSXRUAMSA-N 473.617 5.669 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)c1Cl 1829693118 VGUDTVFCNFUMOO-DEOSSOPVSA-N 492.019 5.084 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829955384 PKVPFNKWFWJINS-XMMPIXPASA-N 461.606 5.304 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c(Cl)c1 1830721576 PYDZDOIRGBQXOR-FQEVSTJZSA-N 481.946 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1830741875 JHPJYPQBZVYAQW-SIKLNZKXSA-N 492.582 5.504 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1830792497 FSMBLWHABLSAJC-XUZZJYLKSA-N 473.608 5.033 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830980399 NUTWEYAWDSHMAD-RPLLCQBOSA-N 499.655 6.430 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634026 NLLFNLWSGGBLGA-STWLZBDKSA-N 490.673 5.123 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)C1 1844742016 LVTXUQIETNNWAG-UHFFFAOYSA-N 455.602 5.400 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc([C@H](C)C(F)(F)F)cc1 1847267341 FRZXAGQGKHJZHF-YYWHXJBOSA-N 450.545 5.089 30 20 JKED N#CCCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)c1ccccc1 8620823 VSUCZRYMRAYOGN-CZIZESTLSA-N 477.520 5.418 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2cc(Cl)ccc2c1=O 9353436 GLEDVCSQUNHJHH-UHFFFAOYSA-N 488.318 5.639 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc(Cl)cc1Cl 9825661 SSHJRRAISOSEGY-UHFFFAOYSA-N 471.772 5.961 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 10830042 OAEPUINRVMSCLV-UHFFFAOYSA-O 475.634 6.433 30 20 JKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1ccccc1C(F)(F)F 15806193 VISLGGYXMLAHNG-OAHLLOKOSA-N 470.472 5.912 30 20 JKED Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 16669609 RVHGMIAJVLONNA-UHFFFAOYSA-N 488.592 5.092 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccnc2Cl)nc2sc3c(c2c1=O)CCCCC3 16746673 BZOUFZZTIGCMHW-ZDUSSCGKSA-N 475.039 5.081 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2C)nnc1-c1ccc(Cl)cc1 18972583 QHXMYMKHODMNKN-UHFFFAOYSA-N 468.026 5.424 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2)nnc1-c1ccc(Br)cc1 21927719 SOQUWNHWEVSWOH-OAHLLOKOSA-N 457.397 5.321 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(C)cs2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 24174779 AINMRZZANQCKNA-UHFFFAOYSA-N 486.619 5.254 30 20 JKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 24841303 GOQVNWVGXGZKDP-OAQYLSRUSA-N 476.403 5.627 30 20 JKED CCn1c(SCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)nnc1-c1ccccc1C 32288618 BPHDUGNYEUKMQC-UHFFFAOYSA-N 483.597 5.455 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)nnc1-c1cccc(C)c1 32857154 OKBUSXPUQRHBKM-FQEVSTJZSA-N 489.626 5.564 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CC)c1cccc(Cl)c1 46774095 RGBHNCSNZXGKHO-QGZVFWFLSA-N 451.748 5.019 30 20 JKED CCOc1cc(CN(C)C(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1OC(F)F 108824037 QETWFUSTZLOGFX-UHFFFAOYSA-N 466.484 5.410 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(COC(C)C)c2)c1 109115433 LBBGZMDZYYZIJC-UHFFFAOYSA-N 499.032 5.899 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(N4CCc5ccccc5C4)cc3)s2)cc1 109417966 KAGFEVRWDKKWKB-UHFFFAOYSA-N 483.622 5.517 30 20 JKED COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1ccc(F)cc1C#N 112530170 HMBRBYJHEUGKOF-UHFFFAOYSA-N 474.561 5.474 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1oc2ccccc2c1CSc1ncccn1 116313996 KHOFUURPQOPUKP-UHFFFAOYSA-N 451.891 5.268 30 20 JKED C=CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1ccc(Br)cc1 195696060 JFEKTHUMUPXYFP-UHFFFAOYSA-N 483.391 5.850 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)c2)c1 409805480 FSMQJMNRJWMWLN-UHFFFAOYSA-N 477.402 5.132 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NC3CCC(c4ccccc4)CC3)cc2F)c1 481525686 GECLMGNKLFLMBS-UHFFFAOYSA-N 471.532 5.057 30 20 JKED N#Cc1cc(F)ccc1CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 483182057 KRBRIFXPCJOKCO-UHFFFAOYSA-N 466.339 5.395 30 20 JKED C=CCn1c(Sc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)nnc1-c1ccncc1 489295252 XRNYOSDJUPVPEQ-UHFFFAOYSA-N 484.614 5.018 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)oc12 495360760 NQFFRJYHTDNUHU-INIZCTEOSA-N 473.489 5.008 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1Cl 497324912 SYDHIFAEFBMFGI-AWEZNQCLSA-N 477.417 5.416 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 499153784 GVELXOHEIIMFTG-QGZVFWFLSA-N 459.933 5.097 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)C(=O)N(C)CCC#N 501572042 AMDHPIHOWDMHHZ-CQSZACIVSA-N 460.390 5.094 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501721552 WNYUHYZQARTIDB-UHFFFAOYSA-N 464.978 5.135 30 20 JKED Cc1nc(NC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)sc1SCC#N 504280661 RTAXXDXIYYIYJG-UHFFFAOYSA-N 467.407 5.330 30 20 JKED CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)[C@@H](C)c1ccc(C#N)cc1 509560200 NOOPGKHOOUHENB-SFHVURJKSA-N 482.005 5.260 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1F 510012719 ZIIWKLGJCNJEDH-QPPBQGQZSA-N 473.939 5.779 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)cc1Cl 510044473 LOJZZYLQVHGJIB-HSZRJFAPSA-N 490.966 5.515 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 511905200 DWDBQVOFCJETSD-MHZLTWQESA-N 467.569 5.075 30 20 JKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cc2c(cc1Br)OCCO2 512675944 VVRHFBIQSNYIJA-OAHLLOKOSA-N 463.331 5.250 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1C(C)=O 512920743 ALGIVVPFABECLW-INIZCTEOSA-N 470.982 5.018 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)nc2ccccc21 513681515 DPCTYMNKFLHAQZ-LJQANCHMSA-N 473.330 5.078 30 20 JKED N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1cccc(Cl)c1 513846615 SIUFVFGTKCWNHJ-UHFFFAOYSA-N 489.000 5.137 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 515282889 VCUHJMNPHDVAPQ-UHFFFAOYSA-N 473.920 5.719 30 20 JKED N#Cc1c(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)sc2c1CCCCCC2 515448604 HDJFCCKJPZUHHA-UHFFFAOYSA-N 450.589 5.169 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3CSc3nc4ccccc4o3)n2)cc1 516270470 ZZRNWJOOLQSBLH-NRFANRHFSA-N 497.601 6.742 30 20 JKED CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 516788081 VTFHYLZZZREVBC-UHFFFAOYSA-N 483.977 5.287 30 20 JKED C=CCN(C(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518240220 UJTHMBGVMGPXSX-WOJBJXKFSA-N 486.551 5.614 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)cc2Cl)cc1 519058306 YKFIEOKZGZLREY-JOCHJYFZSA-N 460.921 5.099 30 20 JKED C=CCN(C(=O)CC1CCC(c2ccccc2)CC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 520796033 QSWOVEUSIATYLZ-UHFFFAOYSA-N 494.682 6.097 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 521209004 MRLMUICAHCJEDN-UHFFFAOYSA-N 450.926 5.747 30 20 JKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 523252623 SYSRAKDCJKBVIW-IBGZPJMESA-N 465.509 5.474 30 20 JKED CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 524473710 ARGBNWPBISVZDQ-HSZRJFAPSA-N 460.965 5.455 30 20 JKED O=C(Nc1cccc(F)c1)C1CCN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 586792233 WHQVETPDFVBHNC-ZIAGYGMSSA-N 483.428 5.095 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 589728757 IQYPRZSLUJYBIZ-UHFFFAOYSA-N 469.585 5.090 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2sc(C)c(C)c2C#N)cc1OC 603819283 XMVSDJPZTQAXSD-UHFFFAOYSA-N 472.570 5.418 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c12 603969024 WKLYJSMLKHPUFT-UHFFFAOYSA-N 455.568 5.858 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 604003626 IIADOYADZUZGLD-UHFFFAOYSA-N 456.933 5.482 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 604137959 JYNINBWHCLOGNL-NOZRDPDXSA-N 473.960 5.210 30 20 JKED CC(C)CN(CCc1ccc(F)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604500691 XPMHXEMNKQEHTP-UHFFFAOYSA-N 459.565 6.203 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)n1 609027954 NAZNUPKGDQXSAC-UHFFFAOYSA-N 468.582 5.435 30 20 JKED CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1SC[C@H](C)C#N 609377490 WKRURNUZYFVGTJ-BCHFMIIMSA-N 459.615 5.414 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609430532 LZVVZBISRQMCPE-KRWDZBQOSA-N 451.621 5.516 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2cccc(C)c2C)c1 615085106 MMGWCXKWIIUEGX-UHFFFAOYSA-N 469.006 5.615 30 20 JKED CC(=O)Nc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 618540438 PYLAKPCOEKOVHS-NXEZZACHSA-N 465.316 5.258 30 20 JKED Cn1ccnc1[C@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1cccc(F)c1 642339810 ZVBOXXVERCNDFA-IEBWSBKVSA-N 461.381 5.310 30 20 JKED O=C(NCc1cccc(OCC(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642769744 ZDDOSVBPWZQQMQ-ITGUQSILSA-N 466.344 5.336 30 20 JKED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N(CC2CCC2)C1=O)Nc1cccc(Cl)c1Cl 726108177 KBRQAFOKHUGGJX-MKNVGELUSA-N 491.444 5.060 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726317628 BQXLFPGEBZEJOW-INIZCTEOSA-N 453.445 5.824 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 726393153 MVXWTXCZOIMTNF-AVRDEDQJSA-N 471.598 5.136 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2csc3ccccc23)cc1Cl 726404060 RCHJJUJDYDPVLI-NRFANRHFSA-N 495.029 5.227 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C#N)c(Cl)c1 726407672 UVCNYMFPADPWSO-IBGZPJMESA-N 476.936 5.250 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(Cl)ccc2Cl)cc1 726571891 NECIPKHZRPEUCQ-UHFFFAOYSA-O 475.808 6.438 30 20 JKED CCOc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc(Br)c1O 726626212 BBYWIKOAWDBLMG-APSNUPSMSA-N 495.807 5.484 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1sc(-c2cccnc2)nc1C 727061376 HODKOZGMHBRSOZ-UHFFFAOYSA-N 463.588 5.150 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 728423983 ZMHXCIGLYAUOOK-UUOWRZLLSA-N 499.596 5.073 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)ccc21 728766695 GICFFVDIEZNBDK-FQEVSTJZSA-N 471.529 5.180 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729570596 BMLMAUMDDRTKTM-UHFFFAOYSA-N 476.499 6.368 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1C 730502593 WHPROPOPJNUANA-IBGZPJMESA-N 493.601 5.307 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 730943549 FQKDXIRECAMYKR-BTYIYWSLSA-N 482.968 5.596 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(CCOCC2CC2)C1=O)Nc1ccc(F)cc1F 730944215 SZWVDTKSMDXKIJ-FQEVSTJZSA-N 493.963 5.005 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 731068808 ITEAMRYBUQIXNE-ZIAGYGMSSA-N 467.374 5.194 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1 731077804 PJKJBISKCFEMNL-INIZCTEOSA-N 478.574 5.047 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(Br)cc1F)c1nc(-c2c(F)cccc2F)cs1 745313830 YFPHUSNTGWAKGM-ZDUSSCGKSA-N 465.294 5.799 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 746697011 YMPKPUIFRGZBFP-RUZDIDTESA-N 498.608 5.015 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1 748583656 IKLPKSHYFRVIMN-LFIBNONCSA-N 479.536 5.460 30 20 JKED COc1cc(C#N)ccc1OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 818031173 BKCVTFFTTVZMHC-CQSZACIVSA-N 477.567 5.171 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1F 837300246 AAASUBFHFLWCAM-BTYIYWSLSA-N 466.513 5.081 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3cccnc3)C2=O)c1 837835255 FAJZYUJCIWPXQU-JPYJTQIMSA-N 474.586 5.120 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)Cc2ccccc2C(F)(F)F)c1=S 887563041 DFCWQAKUVGPINY-FQEVSTJZSA-N 476.524 5.221 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 914882029 GLLCARUPXMLPLF-UHFFFAOYSA-N 472.482 5.166 30 20 JKED N#CC(CCOC(=O)Cn1c2ccccc2c(=O)c2ccccc21)(c1ccccc1)c1ccccc1 914900064 AJHCGTDHVKINIK-UHFFFAOYSA-N 472.544 5.598 30 20 JKED Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(OCc3ccccc3C#N)cc2)cs1 915513541 ABGOVROFURMVGP-UHFFFAOYSA-N 497.576 5.440 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3ccc(F)cc3F)cc2OC)cc1 916128063 JGWSEUULUXWXHH-QCDXTXTGSA-N 467.468 5.286 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1C 916208102 TXASVMUSVSUFGT-IBGZPJMESA-N 463.525 5.693 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CCCO2)C1=O 916211831 QTLJLWUZPHPIBR-YLJYHZDGSA-N 492.428 5.441 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)ccc1OCc1ccc(C(C)(C)C)cc1 916367682 KRRXWDVAYREEJQ-JOCHJYFZSA-N 480.634 5.576 30 20 JKED CC1=C(C(=O)Nc2ccc(C(C)C)cc2)[C@@H](c2cccc(C#N)c2)NC(=O)N1CCCCCC(=O)O 916724376 UOZVIQJUZFDBAY-AREMUKBSSA-N 488.588 5.306 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@H](C#N)c3ccc4ccccc4n3)[C@H]2c2cccs2)cc1 916849024 RJCRYZPLBMMKQB-UZINWLIJSA-N 451.551 5.575 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916883158 PNMSMHNKSGBNQQ-LJQANCHMSA-N 483.380 5.723 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1 916898859 IWXWXUXJHCWWGF-YJBOKZPZSA-N 488.594 5.033 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907384 YLCWKLWUNVNNSG-HXUWFJFHSA-N 487.968 6.525 30 20 JKED N#C[C@H](C(=O)CCc1ccccc1Br)C(=O)Nc1ccccc1Oc1ccccc1 916910582 TVKWFSLFBJTSHN-LJQANCHMSA-N 463.331 5.522 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1-c1nccs1 916911907 YFEBOZQUCUTCSJ-HXUWFJFHSA-N 456.527 5.304 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCN1c2ccccc2Sc2ccccc21 916926102 RTJSJKUUWQWMAK-SFHVURJKSA-N 457.555 5.426 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1C 916928552 NRVWWFKRMRYJPQ-INIZCTEOSA-N 488.400 5.020 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)n2)cc1 916975326 XQNLSZRARVUARE-CTNGQTDRSA-N 484.408 5.906 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 917039883 GVBQJJNWHKDDKT-GEXIGZQTSA-N 473.323 6.359 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cccc(OCc3ccccc3)c2)cs1 917559854 CYMLLVQKEGDJBH-SSZFMOIBSA-N 468.578 6.611 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)c1 917671091 KQUXOHKMJWISBM-HSZRJFAPSA-N 476.577 5.306 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N(Cc2ccc(NC(C)=O)cc2)C1=O 917697763 NKZMYMYHMSACGF-QHCPKHFHSA-N 494.661 5.160 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1csc(-c2cc(Br)cs2)n1 918555534 PQRZEXTTYIIGIH-UHFFFAOYSA-N 455.742 5.387 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 919087996 CTQFAQLNTNKNPB-UHFFFAOYSA-N 493.519 5.020 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)COC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 919514285 RMRTXEJXUHUQDG-XMMPIXPASA-N 488.540 5.040 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)CC1=O 920141884 NBIWTPHTKZLPEF-RBDMOPTHSA-N 468.582 5.425 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2ccc(OCC(F)(F)F)cc2)nc1 920482153 GNRNOVGLMQNLDG-UHFFFAOYSA-N 492.523 5.074 30 20 JKED N#CC(CCOC(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1)(c1ccccc1)c1ccccc1 1317857803 BGTQOTAMPNENGB-UHFFFAOYSA-N 477.520 5.096 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2cc(Cl)ccc2Cl)C1 1781610760 JSYKWQZNZYAVLF-ATIYNZHBSA-N 495.491 5.432 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c4ccco4)CCC3)cc2)C1 1785810608 VRAPUGOGACLBAR-QFIPXVFZSA-N 493.604 5.336 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1786102105 JMRWGGOGAFCBEK-UHFFFAOYSA-N 483.653 5.534 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)CCC2)cc1 1786366947 JRQDTGQVYXFSGP-UHFFFAOYSA-N 467.516 5.177 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(C(F)(F)F)o1 1788615285 GLYHJTYXLLHQTI-UHFFFAOYSA-N 482.462 5.129 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)ccc1F 1788648772 PJGIBYKCTDCKDS-VAWYXSNFSA-N 478.545 5.083 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)c2c1 1789275180 XRKPTUIJEGHFKU-IBGZPJMESA-N 492.579 5.865 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ncccc34)CCC2)cc1 1789455364 QSMKLIOFPKGZKN-QHCPKHFHSA-N 456.590 5.398 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CNc4ccccc4O3)cc2)CCC1 1789469928 MSRLNYMJJYIRFT-JOCHJYFZSA-N 461.606 5.376 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ncc(C(F)(F)F)cc3Cl)CCC2)cc1 1789494269 OVNBQFIMSRUHEY-SFHVURJKSA-N 495.929 5.075 30 20 JKED O=C(/C=C/c1cc2ccccc2o1)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789577884 SCZAZLTXNYJYBE-VPXPGVMISA-N 467.525 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCCCO)cc3)cc2)CCC1 1790056775 SKTITASCLLVEJX-UHFFFAOYSA-N 464.606 5.188 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)c(F)c3)CCC2)cc1 1790563379 IMBCHQNADPEZAQ-IBGZPJMESA-N 453.558 5.002 30 20 JKED CCCCCc1ncc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)ON=C(C)C)cc3)CCC2)s1 1790566755 CZYXWHUTUVZWFL-SFHVURJKSA-N 470.639 5.424 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(Cl)c4)cc3)CCC2)CC1 1790638302 RTXRJLUNFCTKSL-UHFFFAOYSA-N 472.770 5.154 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(Cl)c1 1790703599 UDIWGYUFPZYJPC-UHFFFAOYSA-N 487.987 5.405 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C(F)(F)F)CCC2)cc1 1791299842 JURHFCLPOALZAB-UHFFFAOYSA-N 459.440 5.121 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CCC2)cc1 1791575488 MLSMPLKBTILNRH-CYBMUJFWSA-N 461.509 5.253 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COC4CCCCC4)CCC3)cc2)c1 1792123322 UMPUQKIQUVGPTR-FQEVSTJZSA-N 459.590 5.411 30 20 JKED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)c1ccc(Cl)cc1 1792821199 OUAKZBCFJBETRY-ZTVIYSTHSA-N 489.925 5.286 30 20 JKED Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2F)C3)c(C(F)(F)F)o1 1795139895 UZBDQUCPTVGRPI-BTTYYORXSA-N 492.391 5.330 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)nc3ccccc23)c1 1797460442 NRDDAHIDPAMZRU-RZXSNQJFSA-N 472.976 5.081 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Cl)cc(C(F)(F)F)c1)C2 1798337122 DHAJIDIVLNBDAK-PLACYPQZSA-N 468.947 5.308 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c3ccccc3c1)C2 1801639832 RUSRTCQTGSHQDB-QLIIJSOBSA-N 455.396 5.066 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Br)cccc3c1)C2 1801695558 UQCYRAWXUGKBIB-BCDXTJNWSA-N 477.349 5.066 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Cc1cccc(Br)c1 1802060973 OZPSIXWVJYKBGA-LDBVRRDLSA-N 473.455 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1803419465 BIKWNYDPBMSBIA-LSAVBLLPSA-N 463.647 5.037 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(F)CCCCC1(F)F)C2 1803862316 CSBCQWDYKBXSHZ-IGMJJTELSA-N 480.424 5.014 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cn4ccc(C(F)(F)F)cc4n3)CC2)C1 1804866505 AZTRJRYSLNNCLE-UHFFFAOYSA-N 490.570 5.190 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1806449489 DMAZAGBASBZNGF-WNQFUHBBSA-N 480.612 5.103 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1807210690 QWMPKHRCDUXVMB-FYYLOGMGSA-N 498.465 5.465 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C(C)(C)Oc3ccc4ccccc4c3)[C@@H]2c2cccnc2)C1 1807480953 HBGDYPSYPRKGOO-SQHAQQRYSA-N 483.612 5.064 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1809672043 JGESUWVHFRYYEM-AMGIVPHBSA-N 489.019 5.105 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)[C@H]1c1cccnc1 1810503472 RETJUIYIJKZJFJ-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811252813 YNNKELVNJHRUEE-KAYWLYCHSA-N 499.561 5.012 30 20 JKED Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c1Cl 1813827329 KSGADRNTUYMVIL-FRPAHBMMSA-N 487.003 5.304 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1815571999 DARLUEOTMSMQSU-MRXNPFEDSA-N 494.411 5.606 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)cc2Cl)n[nH]1 1815577917 JWGORVQSOOWNSO-RXVVDRJESA-N 458.965 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4cccc(F)c4)CC3)n[nH]2)c1 1815621857 YESPDLVZLUXMGY-MHECFPHRSA-N 485.563 5.214 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n[nH]2)cc1 1816942094 FJEDNMYIVLQJCP-JOCHJYFZSA-N 495.505 5.043 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3csc4c3CCCO4)n[nH]2)c1 1817801815 OODACNUJWPNNET-AOMKIAJQSA-N 489.601 5.043 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Br)cs3)n[nH]2)c1 1818152029 JPHAFLNNAXKDQN-GOSISDBHSA-N 498.406 5.034 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3ccccc3)n[nH]2)c1 1818228791 UMSKJKHEVKRULP-VWLOTQADSA-N 490.567 5.272 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc[nH]c23)n[nH]1)c1ccc(O)cc1 1818772760 KBRUKWAVOODWKU-PXDATVDWSA-N 495.583 5.100 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819030692 MYJRIEULJFTGDD-KXBFYZLASA-N 489.626 5.933 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1819305220 QSDGOWWEUGBZDI-UGKGYDQZSA-N 493.995 5.792 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)[nH]n1 1819306849 HDWMOJXKPSSXDC-CRAIPNDOSA-N 462.381 5.186 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1819364218 SASPEZGUKWXBQD-FXAWDEMLSA-N 487.025 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)[nH]n1 1819555393 DRCBIICUSTXUGD-QGZVFWFLSA-N 464.397 5.410 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821147761 MPKAXIMJJUESBD-JTHBVZDNSA-N 464.610 5.661 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)[nH]n2)cc1 1821181746 PXPFOXHHDTVBPE-XMMPIXPASA-N 498.974 5.297 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc4ccc(Cl)cc4c3)n[nH]2)cc1 1821429221 SUFXAZCCYQNHNR-HSZRJFAPSA-N 484.947 5.103 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1821746677 LFZBGRCUIBXWPK-CIEQNIFPSA-N 497.599 5.018 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)Oc1ccccc1 1821783409 ATLLDMQJTSTXPS-SBUREZEXSA-N 491.979 5.098 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)c(C(F)(F)F)c2)n[nH]1 1821861187 LUUXVNVXGZGTJM-UWJYYQICSA-N 492.517 5.571 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823218157 YUUBUZLUQNBGIO-CJFMBICVSA-N 469.589 5.284 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(F)c1 1823218716 VDUBVVMENOGIAT-GAJHUEQPSA-N 459.525 5.104 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n[nH]1 1823295318 FXEGPLCHNZMFGD-IBGZPJMESA-N 464.463 5.067 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccccc3F)CC2)n[nH]1 1823446781 AQJGHSRODYWUDA-AVRDEDQJSA-N 450.558 5.041 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1823676270 UCQZCAHGJQYCOT-AREMUKBSSA-N 489.019 5.169 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)C1 1823702334 ZSVYCNXGGYAYLN-HHHXNRCGSA-N 482.628 5.429 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)CC1 1824446557 JMRDAOYAUWKAQF-QHCPKHFHSA-N 479.036 5.470 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1824508271 UPJVYDULBWABGQ-HOFKKMOUSA-N 499.655 5.431 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1824535569 OTWWDWCQYCRCGO-ISKFKSNPSA-N 481.102 5.073 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1824538670 RSFFTMCHNHKOFR-JXFKEZNVSA-N 450.695 5.151 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1 1824540372 HXTVCCSAQFTXNC-SJLPKXTDSA-N 487.529 5.007 30 20 JKED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)CC2 1825124768 LNDROEAHSUBIJX-DOTOQJQBSA-N 474.586 5.322 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1827172145 ITEYVROCCABTQA-ZTOMLWHTSA-N 496.655 5.661 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)CC2)C1 1827299553 OCESDJOBPVRLCN-VWLOTQADSA-N 492.660 5.839 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827365481 VXWCKHXPYMGWKJ-HHHXNRCGSA-N 494.639 5.685 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccccc3n2)CC1)c1ccccc1 1828006294 ANLYUZAZOTWZTQ-SVEHJYQDSA-N 494.639 5.060 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1)c1ccccc1 1828204756 LRUPUIQOFCBZNN-XZWHSSHBSA-N 493.651 5.665 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCNc2ccc(C)cc2C)CC1 1828826298 BBQRIUPQIVRTTO-XNMGPUDCSA-N 465.682 5.494 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 1828827476 NNXIWJXOKBXLFD-GGAORHGYSA-N 459.030 5.350 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccncc2)CC1 1828903688 CSYVSTZWRQXITE-SANMLTNESA-N 481.757 5.075 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ncncc3c2)CC1)c1ccccc1 1829032257 LQLUJRGMHMYRDQ-LMSSTIIKSA-N 494.639 5.060 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829408907 TVKJLDZVDPEYJW-OAQYLSRUSA-N 497.989 5.756 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3oc4ccccc4c3C)CC2)c1 1829679235 MHUMSXKAIJQVJX-VWLOTQADSA-N 485.584 5.169 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701259 NZXYHFPXJJQGRQ-JSPCPOQUSA-N 481.980 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830474939 QTOWYJMVKIPBKN-GKVSMKOHSA-N 499.989 5.792 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2OC)CC1 1830715455 YCHXELLKNIYUGL-IERDGZPVSA-N 495.433 5.042 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830718294 GNZBHEUPKZKLIL-VWLOTQADSA-N 493.648 5.340 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc2c[nH]nc12 1830873817 LMGLBRWDXQFASE-FNZWTVRRSA-N 483.616 5.046 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1831844145 ZTIGQQGGDLOKDE-VGSWGCGISA-N 488.053 5.079 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1Cl 1832558487 SJGWYUKPETZBNR-VWLOTQADSA-N 476.020 5.636 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 1832633877 OPGCEAUSBJGRSN-AVRWGWEMSA-N 465.544 5.139 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1F 1832634006 QLYJBRSHQQCQMP-FNZWTVRRSA-N 461.581 5.308 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(C(F)(F)F)c3C)CC2)CC1 1833079521 ACQYKXVLDSOSRJ-UHFFFAOYSA-N 493.614 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1835815737 XWRUGQQMJDDMKU-KCWPFWIISA-N 481.725 5.380 30 20 JKED CCC1(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)CC2)CCC1 1838295710 ZAMOORZVKBAWOM-UHFFFAOYSA-N 498.667 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)C2)c1 1845672272 NLDREDRBMWDSHL-LJQANCHMSA-N 478.552 5.186 30 20 JKED C=CCNC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F 9023433 STCPXALWSIUBGI-UHFFFAOYSA-N 452.889 5.001 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 10174522 FGXNDVJZBJESMZ-UHFFFAOYSA-O 492.089 6.893 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(F)c(Cl)c1 10359540 UXMYDATXEUJGLQ-XMMPIXPASA-N 490.991 6.008 30 20 JKED C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2)C(=O)Nc1ccccc1C#N 10552785 HXDRHWPSXQHQEH-PQMNFKMDSA-N 479.561 5.839 30 20 JKED O=C(/C(=C(/S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 10828231 GYOPTRZCQPASBN-UHFFFAOYSA-O 486.548 5.663 30 20 JKED C=CCOc1c(Br)cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1OC 11291701 ZCQSTVSQIGBMIE-NTEUORMPSA-N 460.349 5.648 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1cccc(C)c1 11810263 IAIZFLUAZHLRAV-SFHVURJKSA-N 467.664 5.743 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 12056198 JKVCCIZNQJGPQA-VWLOTQADSA-N 498.608 5.302 30 20 JKED CC[C@@H](C)c1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)S2)cc1 15231627 ZLLKILIDYLHFNK-FZKQIMNGSA-N 463.575 5.763 30 20 JKED CC(C)CCn1c(SC[C@H](C#N)CCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 15244824 GVZWTHPEVKQDNE-NRFANRHFSA-N 480.641 6.742 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccoc1C 21925220 DDHIBFLRLVNICA-UHFFFAOYSA-N 455.540 5.026 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1ccc(Cc2ccccc2)cc1 22796020 QRWQYGQIMNBWKF-UHFFFAOYSA-O 480.451 5.432 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OCC)c(OC)c3)n2)nnc1-c1ccccc1 39221732 UDVXEONXIUTZMP-UHFFFAOYSA-N 464.616 5.954 30 20 JKED C=CCn1c(S[C@H](C)c2nc(C3CC3)no2)nc2scc(-c3ccc(C)cc3)c2c1=O 59405116 PDJUTZRLSUTPAY-CQSZACIVSA-N 450.589 5.733 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cccc(Br)c2)cs1)c1ccc(F)cc1F 96924462 PPQDVPOUJVWBSY-VURMDHGXSA-N 463.303 5.765 30 20 JKED C=CCNC(=O)[C@@H](C)SC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 208753959 REYJWADXHOMWJB-RNEAKCBISA-N 478.376 5.300 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC3CCN(Cc4ccccc4)CC3)cc2Cl)c1 303130603 BVEIRNPMAXIEMZ-UHFFFAOYSA-N 474.992 5.577 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(Oc4cccc(Br)c4)nc3)CC2)c1 303285462 VRYQPQVJPSAMLK-UHFFFAOYSA-N 478.346 5.192 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)cc1 303391957 OZTZWJZYWOTPNF-UHFFFAOYSA-N 477.568 5.309 30 20 JKED COc1cc([C@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC1CCCC1 409509490 WZFBUMCBDKJHNJ-IBGZPJMESA-N 490.604 5.010 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1ccc(F)cc1Cl 410412350 BHYSLKFXZZSXQB-UHFFFAOYSA-N 451.885 5.049 30 20 JKED COc1ccc([C@H](NC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)cc1Br 485416977 ZSJUBMOWNYLINL-XMMPIXPASA-N 481.415 5.468 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(OCCCC#N)c1 488448349 AIPBVEJXSGKESN-UHFFFAOYSA-N 455.514 5.959 30 20 JKED Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 498272476 QUYVIYFTQGCDRE-UHFFFAOYSA-N 468.962 5.771 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 498525770 SUIOLRNEIDXOQY-AWEZNQCLSA-N 478.952 5.355 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 500501742 VHBTXJRCLOVMGR-UHFFFAOYSA-N 476.554 5.071 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C(F)(F)F 501453234 VAUQSFVZWPRZNV-UHFFFAOYSA-N 490.485 6.097 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)c1 509558525 IVTIAUXNKJUWSF-JOCHJYFZSA-N 484.600 5.251 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 511846541 UWWIUEXWNKVNBU-BCHFMIIMSA-N 453.542 5.289 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)c1nc2c(s1)CCCC2 512187091 PBBGKWOPVRLPQI-UHFFFAOYSA-N 455.605 5.304 30 20 JKED COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1 513653039 QAMCUKCONNLHRI-UHFFFAOYSA-N 499.976 5.061 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1 513861204 HNCRAZDAKMVFSG-RUZDIDTESA-N 473.548 5.880 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 515442216 MPRUOEIIAMJVII-UHFFFAOYSA-N 468.340 6.181 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1 515890179 ZYTNLFLGVWKVQP-HXUWFJFHSA-N 474.051 5.016 30 20 JKED COc1cc(OC)c(CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 517408646 XWDYDPOVAXVRAZ-JOCHJYFZSA-N 479.964 5.385 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 517517657 GMFHOIRMTNQCTB-UHFFFAOYSA-N 483.549 5.479 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cs1 517525229 IGTHCEVCZZDAIQ-CVEARBPZSA-N 464.616 5.329 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(Cl)cc4)n3)n2)cc1 517800861 MBWXJFLTUKWLSA-QGZVFWFLSA-N 451.960 6.086 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CSCc3nc(O)c4c5c(sc4n3)CCC5)cc2)c1 519510264 FJQITNCENVOMRA-UHFFFAOYSA-N 488.594 5.421 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(c3cc(Cl)ccc3OC)CCOCC2)cc1 521231867 SAHNZOUXSMLPHD-UHFFFAOYSA-N 498.023 5.033 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)c2)cc1 521492620 YABRGWKVMHMKSL-UHFFFAOYSA-N 468.534 5.577 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 521811731 RZMSHUADROZVDW-QRWLVFNGSA-N 463.525 5.552 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 523193499 OOQXIFFUTMZUPS-FTJBHMTQSA-N 461.512 5.469 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1-c1ccc(F)cc1F 524454533 IAHVEHKBHCWDCB-UHFFFAOYSA-N 462.431 5.301 30 20 JKED N#C[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cccc(Cl)c1Cl 557644876 SETONUVVOJCTDP-HXUWFJFHSA-N 451.313 5.215 30 20 JKED C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 590979349 PHHMHQDLLYXHEB-TTZDDIAXSA-N 487.435 5.263 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 591497833 LQVNICGDGPVFHT-HXUWFJFHSA-N 450.539 5.064 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 603594448 VECIRDCWSKGJEB-NSHDSACASA-N 463.403 5.149 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1Cl 603758837 KGZXYZBSWBUEQU-XMMPIXPASA-N 466.928 5.895 30 20 JKED CC(C)Oc1ccccc1[C@@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603829949 UINSQVSLGHOTHA-OAHLLOKOSA-N 453.593 5.372 30 20 JKED CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1Cl 604005152 XCXYEOWSEWCVSQ-UHFFFAOYSA-N 461.949 5.429 30 20 JKED Cc1csc(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)n1 608841573 VCUJLPAFFXUKKA-UHFFFAOYSA-N 456.546 6.364 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 608882822 DYNNFPAMFQPJRH-UHFFFAOYSA-N 479.334 5.031 30 20 JKED CC1CCN(Cc2cccc(CNC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2)CC1 609077766 ABZLHVJRZVPGPM-UHFFFAOYSA-N 492.674 5.256 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)cc2F)c1 609104667 KYILPBUQBLHDMN-UHFFFAOYSA-N 466.472 5.176 30 20 JKED N#Cc1cc(NC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)ccc1F 609110461 JJMKRCSQZXVVPP-UHFFFAOYSA-N 464.305 5.057 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3c[nH]c4ccc(Br)cc34)c2)cc1 609112823 VNCRIEIGVNOSDU-UHFFFAOYSA-N 460.331 5.828 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)ccc3N3CCOCC3)cc2Cl)c1 609346038 YVUROMUBWJILLB-UHFFFAOYSA-N 465.912 5.019 30 20 JKED Cc1cc(N2C[C@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2=O)ccc1Br 609377500 ACRJNVMJDMAFAA-GDBMZVCRSA-N 472.408 5.001 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 609378507 QGYJVRNYFJCSHT-UHFFFAOYSA-N 486.475 6.079 30 20 JKED COc1ccc(-c2cc(CSCC(=O)Nc3ccccc3S[C@@H](C)CC#N)on2)cc1 609388765 IVAQDQFVJINDGP-INIZCTEOSA-N 453.589 5.616 30 20 JKED N#C[C@H](NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(Cl)c1Cl 609414102 JRGMQAVENIJXEK-YMJVSDDVSA-N 496.438 5.821 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 609427483 DHGIUIWKIFKHJU-AWEZNQCLSA-N 488.009 6.748 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)cc1 626590055 IZDYNELOYSNQEI-UHFFFAOYSA-N 488.617 5.917 30 20 JKED O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(Cl)c1 642333127 APPSRAOHNGLCQG-BRPSZJMVSA-N 475.785 5.129 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726421910 QLAUUIGTBIFVAJ-YUGFFRFOSA-N 474.611 5.210 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccccn3)C2=O)c1 726422378 VRWMFTRZVOMJPA-WNBREWMXSA-N 478.643 5.350 30 20 JKED COc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1F 726473741 OFDRTLMIDNREGE-UHFFFAOYSA-N 489.359 6.074 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)COC3)[n+]2ccc(C(CC)CC)cc2)c1 726572591 CUKGXJRWYBHWPY-UHFFFAOYSA-O 469.630 6.213 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 726725608 ABQSXBZWWPLXFV-DNQXCXABSA-N 479.502 5.813 30 20 JKED CCN(C[C@H](C)C#N)Cn1nc(-c2cc(OC)c(OC)c(OC)c2)n(C2CCCCC2)c1=S 726963526 FUNLOIUMMLHDTR-QGZVFWFLSA-N 473.643 5.051 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2Cl)c1C 727252548 GXMKGGZFKZNXGJ-JOCHJYFZSA-N 496.036 5.334 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(CN(C)Cc3ccccc3)CC2)c1=S 727423099 MDXGYQQKJWEKPQ-UHFFFAOYSA-N 465.642 5.208 30 20 JKED C#Cc1cccc(N(C)C(=O)CC23C[C@@H]4C[C@H](C2)CC(C(=O)N(C)c2cccc(C#C)c2)(C4)C3)c1 728481801 XVCUWKXJLQDQIK-YERGFUTFSA-N 464.609 5.252 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CCCCC#N 728776757 FCFLTHXWKXGUOR-XMMPIXPASA-N 470.598 5.802 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 729070290 SPQMMLWEKXPPID-KRWDZBQOSA-N 498.414 5.783 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)c1 729146726 WZKLZINZUWRILQ-OAQYLSRUSA-N 489.626 5.046 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 729146857 ZQAGOFYJMNYPJX-SFHVURJKSA-N 471.007 5.265 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c1OC 729430253 VMIMRGQXGOYYTH-LJQANCHMSA-N 480.977 5.120 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 729557175 FOBPUBHUKQLNDD-PGRDOPGGSA-N 483.012 5.764 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](C)Sc2ccccc2S(=O)(=O)CCC)c1 730492512 AECYPNQHBFTCSC-IBGZPJMESA-N 483.680 5.627 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccc(F)c(Cl)c1 730719690 ICNYNFBEKJGGAM-GOSISDBHSA-N 493.347 5.281 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)cc1 731304826 BOONWBQZDJFSPY-DEOSSOPVSA-N 495.645 5.264 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731305666 FUMIDCORDPDZTA-YCRPNKLZSA-N 480.977 5.162 30 20 JKED CCN(CC)c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1F 731402932 PMPPUTIAQMDBQM-UHFFFAOYSA-N 460.553 5.639 30 20 JKED C=CCOc1c(Br)cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1OCC 745627130 YFQULPXIJZMYLJ-HJWRWDBZSA-N 472.335 5.265 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)CC2)c1 749147438 MIEDPYYLVKJXHQ-PKNBQFBNSA-N 459.546 5.316 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1F 799211380 MFPXBLZQLRCIKC-INIZCTEOSA-N 453.511 5.121 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)cc1F 799223270 OSDZFZVNZLXWNB-QGZVFWFLSA-N 487.906 5.619 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CC(F)(F)F)c1 799224049 XZYCXUZIOCIKCU-GOSISDBHSA-N 499.942 5.434 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 821739479 IHKIMHKKBFNZKL-UHFFFAOYSA-N 476.385 5.853 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2F)c1 837349043 VAWKWKLMTQQDHK-QFIPXVFZSA-N 481.524 5.134 30 20 JKED C=CCOc1c(Cl)cc(CNc2cc(N3CCOCC3)ccc2Br)cc1OC 864013254 RGRIFMXAUHQDIW-UHFFFAOYSA-N 467.791 5.125 30 20 JKED C=CCn1c(=S)sc2c(=O)n(Cc3csc(N(C(C)=O)c4cccc(Cl)c4)n3)cnc21 913600993 YIAJTMXJQQRXDE-UHFFFAOYSA-N 490.035 5.018 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@H](C)Cc1ccco1 914689963 FNXXGQVCNFMQDV-DVECYGJZSA-N 491.613 5.497 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)Cc3ccco3)C2=O)c1 914690875 IDVLCHAJWWNTOY-XXBNENTESA-N 461.587 5.488 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C#N)cc2)NC(=S)N1c1ccccc1 916160419 KLYUSGTUUQCHRN-QHCPKHFHSA-N 492.526 5.926 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 916217185 HJARXFVCAQBYPR-LJQANCHMSA-N 497.514 5.231 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNC(=S)Nc3ccc(C(C)C)cc3)cs2)cc1 916299263 GJVFFLYLEIOQSD-UHFFFAOYSA-N 467.620 5.280 30 20 JKED CCc1nc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2nc1CC 916884129 SCIPGOZMIZWENW-INIZCTEOSA-N 454.502 5.030 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(SC(F)F)cc1 916887607 PNZUZQSUHFLWEQ-OAHLLOKOSA-N 494.932 5.144 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 916906255 PEJDBOKUCJSTQE-QFIPXVFZSA-N 477.476 5.484 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1 916954632 VDXHGBBASCZMGQ-KRWDZBQOSA-N 464.934 5.019 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1ccccc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917029786 ADVZUWQCIWOZAD-RDPPRYLZSA-N 459.615 5.092 30 20 JKED COc1cc(OC)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1Cl 917564167 YPKXTWUGUJFLGY-TWGQIWQCSA-N 477.369 6.048 30 20 JKED CC(C)c1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)S2)c1 917636057 PBISCLLEXWJLSO-HSZRJFAPSA-N 459.571 5.850 30 20 JKED CN(Cc1cccc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918547083 JHBJGVVFSPOLJH-FVDSYPCUSA-N 478.618 5.097 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)n2)cc1 920145016 YVKMOWRXDOXFKM-SFHVURJKSA-N 462.506 5.125 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2ccc(C)cc2)cs1 920363430 YRWACSFSTCUVKB-UHFFFAOYSA-N 477.537 5.475 30 20 JKED COc1cc(C)cc2c1OC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 920390502 ZAQPHHPNACHDBX-ZSOIEALJSA-N 456.470 5.082 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 920790202 RQFYYLZZXPCZQQ-MRXNPFEDSA-N 494.775 5.183 30 20 JKED COc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)cc(Br)c1OCc1ccccc1 920832501 MMBQEGGOZQXRTK-KHPPLWFESA-N 455.352 5.283 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 920872484 USLZOHBBDBMVIK-UQBPGWFLSA-N 474.992 5.715 30 20 JKED CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(C#N)c1 1695493124 HVDYIHIANZNBHG-GOSISDBHSA-N 478.597 5.000 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cn5cc(Cl)ccc5n4)CCC3)cc2)cc1 1785795916 KNAGQNCCFUSQBN-UHFFFAOYSA-N 497.986 5.240 30 20 JKED CC(C)[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1786395840 KXRKPBFCTVOQKE-IFMALSPDSA-N 491.698 5.014 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4=CCCS4)cc3)CCC2)cc(C(F)(F)F)c1 1786413502 CSAHIAALZNZSRQ-UHFFFAOYSA-N 471.504 5.346 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3=CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786712190 ZZSFPTBEGMFBRD-DEOSSOPVSA-N 493.648 5.456 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)s1 1787056958 IIHZXEBOBKBYDP-PKNBQFBNSA-N 466.584 5.005 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccc(Cl)c4Br)CCC3)cc2)CC1 1787883806 FXUWWCPDXXNADE-UHFFFAOYSA-N 472.770 5.154 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc(C)n1 1788839367 VWYYJCHSMZDLHK-LJQANCHMSA-N 466.585 5.641 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4OCC5)cc3)CCC2)c1 1788905248 XHRVYUWMESCPPX-IBGZPJMESA-N 465.553 5.310 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnccc4OCc4ccc(OC)cc4)cc3)CCC2)C1 1790043132 ROEPOLRQJAXFRG-UHFFFAOYSA-N 497.595 5.383 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1790207838 RWOUVMLYWBVADH-FQEVSTJZSA-N 499.995 5.246 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(F)c(C#N)c5)cc4)CCC3)[nH]c2c1 1790520229 JTLGVBAPTHRLFK-UHFFFAOYSA-N 496.542 5.178 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)cn1 1790785332 GPCWMSVRQNTFHK-UHFFFAOYSA-N 478.474 5.342 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790978744 JTPUKKMSKSOMNZ-HSZRJFAPSA-N 477.992 5.209 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)Cc3cc(Cl)ccc3Br)cc2)CCC1 1791199126 FCTJGSZDBPNXKG-UHFFFAOYSA-N 474.786 5.083 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)nn3-c3ccccc3)CCC2)cc1 1791727473 RJTPZSLYIZDESW-UHFFFAOYSA-N 454.574 5.122 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccoc4)cc3)CCC2)cc1C#N 1791958101 LAGFFSNUCSBFPE-UHFFFAOYSA-N 471.557 5.319 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1 1792146179 RWHUMKZKSFIQKC-UHFFFAOYSA-N 499.958 5.158 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCSC4)cc3)CCC2)c1Cl 1792287597 LKRQBNQPXXCWAZ-KRWDZBQOSA-N 453.995 5.103 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1797913299 KTALOQRBRYEBFT-UFOJEMMLSA-N 497.639 5.097 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)C2 1798334909 PXZURHAUUTXHPV-YRPNKDGESA-N 459.512 5.207 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c3cc(Cl)ccc13)C2)c1ccccc1 1798554222 AADTVLCNDBUCLG-BJESRGMDSA-N 474.004 5.270 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cccc2ncsc12 1800504810 RJJARBWTXNRBAG-QEIWAGNOSA-N 491.616 5.262 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c3ccccc3c1)C2 1802627450 MQKLQNSKURONBT-WKCHPHFGSA-N 467.407 5.048 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1802958989 ZAGMSPCCOICZDP-LITSAYRRSA-N 486.660 5.198 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@@H]1c1cccnc1 1803081808 IEWNUMVTVYENAE-WXMJOIKDSA-N 498.671 5.234 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(C(F)(F)F)cc4)CC2)C3)c1 1803684947 SNRGSCYCENSZNH-YLJCJYEASA-N 495.545 5.316 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc(F)ccc4s2)C3)cc1C#N 1803839541 TYKNCXXUBAZTPT-KOUNCHBCSA-N 491.588 5.265 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 1804617371 GRLFCQCHWGHIAU-QBMQIYCRSA-N 489.701 5.044 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(-c5ccccc5)on4)C3)CC2)c(Cl)c1 1804731689 WITVFDYDNZMTDX-UHFFFAOYSA-N 488.975 5.025 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC4(CCCN(C(=O)C(C)(C)C#N)C4)CC3)ccc21 1805047778 ZBUJKFMTQUVODZ-UHFFFAOYSA-N 470.617 5.209 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)CC2)C1 1805458499 MTSKDYAGVIWVJI-UHFFFAOYSA-N 488.554 5.195 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C2)CC1 1805636011 SRXNJRNSZLVMFU-VXKWHMMOSA-N 465.103 5.265 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1810177452 GPHKQYALPYVVIE-BTSOFTLMSA-N 482.628 5.359 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccnc3ccccc23)[C@H]1c1cccnc1 1810271339 DIAFFKXVTTWJMI-FIPFOOKPSA-N 498.703 5.001 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1811788678 YSGXBKUFAPLYKO-XXBNENTESA-N 499.011 5.264 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811868434 JCRXYXXJQUMRKW-XUZZJYLKSA-N 496.533 5.060 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811868502 KFDCNXPYMAENDN-OFNKIYASSA-N 498.549 5.284 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1812588916 WYLVIIAGUCLJFA-QBFCQJJASA-N 477.008 5.123 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1813838312 DELBAMRRFGQQOB-BLFHIAQRSA-N 487.003 5.304 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)[nH]n1 1814440121 KSFFDQDSGRYMID-HXUWFJFHSA-N 491.558 5.441 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)[nH]n1 1814440466 SAADYTVPDCUDJE-XZOQPEGZSA-N 464.610 5.098 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1814443428 XQYRGOAKORHHAV-OAQYLSRUSA-N 451.546 5.328 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)Sc2ccccc2)n[nH]1 1815093667 YOZAVYJKXUZYNL-CZTZKLFOSA-N 452.624 5.351 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)[nH]c2c(Cl)cccc12 1815243307 OEMAYUQNDLYTAQ-LAUBAEHRSA-N 474.030 5.113 30 20 JKED Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1C 1815633811 WMSFJJUCSHUKQU-NBGIEHNGSA-N 469.589 5.202 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c(O)n1 1816240108 CQLOCZFFQMRMGN-DEOSSOPVSA-N 485.588 5.126 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/C(=O)c3cccs3)sc2C1 1817286195 HRZQLZDJDDBPFT-FEAKQIBJSA-N 497.642 5.068 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818604950 IGRLJEMQJFETMN-HTAPYJJXSA-N 477.996 5.686 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818605697 VNPGEZLFSGNUMT-QRWLVFNGSA-N 451.958 5.129 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818984807 BOZQLBPCAPKIBA-IBGZPJMESA-N 491.539 5.135 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)[nH]n1 1819305581 WFORHSHIRDAGCP-DHLKQENFSA-N 499.615 5.555 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCC(F)(F)C2)[nH]n1)c1ccccc1 1819515908 HFSLVRLDSXXQCS-JAXLGGSGSA-N 468.548 5.034 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)[nH]n2)c1 1820209528 IGXWKHZAEQOUDK-QHCPKHFHSA-N 477.609 5.202 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)[nH]c2c(Cl)cccc12 1820547140 FADMYGHWDQYCCC-NRFANRHFSA-N 486.963 5.344 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821107161 IRFJLFVFQFGBEA-SCLBCKFNSA-N 479.806 5.344 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821213129 RRVDIGADQFBAFO-DYESRHJHSA-N 488.991 5.675 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)[nH]n2)cc1 1821749202 KIKWGVCTYROEQM-KOFSXRQESA-N 483.572 5.008 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cc(Cl)ccc3Br)n[nH]2)C1 1821870822 XWADOEJLZGELDX-IBGZPJMESA-N 491.817 5.027 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(Br)ccc2Cl)n[nH]1 1821871126 MSJOTQKQOZCLTG-KUHUBIRLSA-N 493.833 5.273 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CC2)[nH]n1 1821921741 UKDGDUSDWUHVQE-UZLBHIALSA-N 485.426 5.108 30 20 JKED C[C@@H](Cc1ccco1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1822846558 DWJRXPGOUIAXQR-YCRPNKLZSA-N 499.493 5.078 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823210288 BLIBHVOWAGUWOO-NBGIEHNGSA-N 485.588 5.120 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212424 VIJUORRJQZJPFE-HXOBKFHXSA-N 487.604 5.855 30 20 JKED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1)c1ccccc1 1823496226 LFPZJWUQPKJLCV-AOMKIAJQSA-N 495.505 5.410 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1823916102 PXCGTCPFDOGLRA-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2SCC)CC1 1824138154 WABZHGMQJWYNME-QHCPKHFHSA-N 455.668 5.195 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1824143585 NVFWHXQQFDAXFO-JOCHJYFZSA-N 492.582 5.504 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825767116 ZZQYJPDAAQSBRK-NRFANRHFSA-N 471.548 5.095 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)oc2ccccc12 1828125609 VWJWHWVCHGBBFM-VWLOTQADSA-N 469.585 5.089 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)c1 1828158217 CTOTVBNATQEUHG-AREMUKBSSA-N 490.554 5.173 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321140 HHSCJJIDTVNIHL-UTKZUKDTSA-N 490.069 5.589 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1828822034 DEANEYZIZFVDJI-LADGPHEKSA-N 476.583 5.636 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncoc3c2)CC1 1828906295 FFEYHWFKXCGEHB-DEOSSOPVSA-N 479.697 5.112 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C)n2)CC1)c1ccccc1 1829030504 PMROFUOJWCKGAD-VMPREFPWSA-N 485.672 5.140 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2Cl)CC1)c1ccccc1 1829032067 IUUGQMSESALBSP-OZXSUGGESA-N 478.036 5.166 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1829068932 YSLIUBDVRNHZGT-QHCPKHFHSA-N 485.072 5.371 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1)C(F)(F)F 1831061557 WEIOEDMFUGSUAT-GOSISDBHSA-N 495.523 5.161 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1831368907 BJLPMELPUMTUHA-IBVKSMDESA-N 463.622 5.136 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1831375294 SILINWZHOQSLJZ-KNQAVFIVSA-N 463.647 5.600 30 20 JKED COc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832597675 LMDFGMNFLBFTRO-XMMPIXPASA-N 486.704 5.119 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832634125 OELLBLSZWXRDKT-IDISGSTGSA-N 489.685 5.512 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(Cl)c1 1832663116 BPWPKYMYOXIXLL-BCHFMIIMSA-N 494.035 5.523 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1 1832707781 KOYIYLCMMFEYAG-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)CC1 1836698002 OLGPZJAJZVLQOR-UHFFFAOYSA-N 496.545 5.225 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)CC1 1836698153 JUVLRERPXXIVFP-MEMLXQNLSA-N 484.603 5.122 30 20 JKED C=CCn1c(SCC(=O)OCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 9414206 MVELMJWUTIQQAJ-UHFFFAOYSA-N 456.980 5.230 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)cc2)cc1 10173341 JCDZGHWCOKUCQG-UHFFFAOYSA-O 451.681 6.915 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2ccc(CC)cc2)cc1 10173806 JGDFECNPMVMOTR-UHFFFAOYSA-O 484.439 5.749 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2ccccc2)cc1 11197043 KBAZKQZYCFIEPY-FQEVSTJZSA-N 483.597 5.370 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)c3cnn(C(C)C)c3n2)c(C)s1 14326196 UTRJMEJVJFRICT-KRWDZBQOSA-N 493.633 5.246 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2sc3c(c2c1=O)CCCC3 14758064 NJKLVBGFOPZNPT-HNNXBMFYSA-N 469.632 5.034 30 20 JKED C=CCNC(=O)[C@H](C)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 21605406 VPOOQHKESBPQHZ-HNNXBMFYSA-N 467.561 5.197 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccoc1C 23519638 OEEBURILMCCFHT-QGZVFWFLSA-N 480.590 5.583 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 30381767 MCHRRFZQOBLPCP-XMSQKQJNSA-N 461.027 5.372 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 32787507 KHAZEPUJFVVLOR-HNNXBMFYSA-N 461.418 5.331 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)C(C)(C)c2ccccc21 36803417 OWWSMZUNTMVWQZ-RRFFURKPSA-N 492.620 5.236 30 20 JKED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC2(C/C1=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc12 206411125 XELLPLMALMNJRZ-YZLQMOBTSA-N 481.464 5.223 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1c2ccccc2CC[C@@H]1C 217155399 RBHWDJFAYMBDRS-KRWDZBQOSA-N 469.010 5.157 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 303002450 ZVBHHCWNKRDDDG-SDNWHVSQSA-N 461.525 5.143 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)s1 303039941 PREWJQRCSPSFLH-UHFFFAOYSA-N 461.612 5.114 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)COc3ccccc3OCC(F)(F)F)c2)c1 303149052 FRVLVEFQOHVPQQ-UHFFFAOYSA-N 456.420 5.096 30 20 JKED C=CCN(C(=O)c1csc(I)c1)c1nc(-c2ccccc2)cs1 303248881 BLNFHICFIZHBGK-UHFFFAOYSA-N 452.342 5.309 30 20 JKED Cc1nc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)sc1SCC#N 410418822 OJGRYIDJEFCMLM-UHFFFAOYSA-N 487.404 5.334 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)cc2F)c1 481385790 QDTPAQFVEKGTMM-UKILVPOCSA-N 471.532 5.057 30 20 JKED CCC[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(Cl)c(Cl)c1 498374090 DNQFVVBDKKVUJA-FQEVSTJZSA-N 453.391 5.342 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1 502408994 VTOVTJGENLGPDB-LJQANCHMSA-N 450.441 5.439 30 20 JKED CCOc1ccc(-c2nc(Cn3cc(C#N)c(=O)c4cc(Br)ccc43)cs2)cc1 502819573 ITGWJWLMLSTSHK-UHFFFAOYSA-N 466.360 5.206 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1 506586176 ZAEQDSQWQGDIQJ-UHFFFAOYSA-N 490.003 5.855 30 20 JKED COc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 511519075 BWXCSEBYBDENSM-UHFFFAOYSA-N 466.900 5.276 30 20 JKED CCc1cc(C#N)c(NC(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)s1 512935254 CBBJQPHTTBIJIN-UHFFFAOYSA-N 459.571 5.919 30 20 JKED Cc1nc(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)cs1 513949966 JORJPHYKQMVVBU-UHFFFAOYSA-N 456.546 6.364 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3ccsc3)cc2Cl)cc1 516022804 BZDVZSPMAMSKIS-FQEVSTJZSA-N 451.935 5.368 30 20 JKED CC(C)COc1cccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 516726452 HGAIMIDTRCFZMU-XMMPIXPASA-N 475.976 5.285 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1nc2ccccc2o1 518516614 OEJQPHUZQDAMQR-JOCHJYFZSA-N 469.504 5.778 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4cc(C)oc4C)nc4onc(C)c34)n2)cc1 518516653 QVSQWJFDJJQHLN-FQEVSTJZSA-N 484.537 6.030 30 20 JKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@@H](C)C#N)cc1OC 519443983 UBYDAFGEVFRYTE-HJHGFDQJSA-N 455.558 5.361 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 519515316 CDIDNTPRXFBNKL-FPOVZHCZSA-N 457.599 5.725 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)ccc2c1 520668419 NQIFMSDARWSJFL-UHFFFAOYSA-N 465.509 5.109 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)c1C(F)(F)F 520806910 XRJLOJJAZHKHHI-UHFFFAOYSA-N 488.491 5.326 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 520864842 PWDIVIIDSLTAES-UHFFFAOYSA-N 480.918 5.316 30 20 JKED C=CCN(C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)[C@H](C)c1cccc(-n2cnnn2)c1 520916607 AFWRHCXKRFXWEQ-QGZVFWFLSA-N 499.600 5.242 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 521062663 RCZAXCAFTVCIFW-SFHVURJKSA-N 483.975 5.712 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1Br 521816474 SFXDQNDYIIOXAY-UHFFFAOYSA-N 465.189 5.773 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)cc2)cc1 552995563 JIIKGDMQKLXCCJ-UHFFFAOYSA-N 483.474 5.473 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C2CCC2)c1 590476446 GMRGQUJLYVSBDE-QFIPXVFZSA-N 459.011 5.126 30 20 JKED COc1ccc([C@H](NCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c2ccccc2)cc1 590613831 ZJECDOOPJGTTSO-MUUNZHRXSA-N 482.584 5.334 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 597227033 OYAVFNZKJIWCRQ-MRXNPFEDSA-N 483.622 5.747 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)c2C#N)C1 602755549 HXXLRPJAEIQUTR-MRXNPFEDSA-N 486.626 5.118 30 20 JKED C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 603908424 SVVPKNRZGBYDRT-KRWDZBQOSA-N 489.000 5.222 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2sccc2Br)cc1Cl 603971018 IJIIPXAGRULJSU-OAHLLOKOSA-N 467.797 5.620 30 20 JKED C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)C1 604089463 AUSXKPGZSZBATO-GOSISDBHSA-N 480.996 5.506 30 20 JKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)[nH]c2c1 604510322 DUMPRYRDVTUIJM-RUZDIDTESA-N 451.530 6.213 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3cc(F)ccc3-c3cccc(C(F)(F)F)c3)CC2)nc1 608949890 DPNUITILRVFIRZ-UHFFFAOYSA-N 468.454 5.177 30 20 JKED CCOc1cc(CNCc2cccc(C#N)c2)cc(Br)c1OCc1ccccc1 608982525 WSKWGGMZCMSSNK-UHFFFAOYSA-N 451.364 5.588 30 20 JKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OCc1cscn1 609061762 XZFDWKNTPZHKGZ-UHFFFAOYSA-N 485.565 5.742 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc2ccccc2n1C(F)F 609079831 JTBWXFFRMPKHNW-HNNXBMFYSA-N 495.917 6.418 30 20 JKED Cc1cc(N2C[C@@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2=O)ccc1Br 609377516 ACRJNVMJDMAFAA-ZBFHGGJFSA-N 472.408 5.001 30 20 JKED CSc1nc(C2CC2)cc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1C#N 609430078 KWUIMKWYXJEUEY-UHFFFAOYSA-N 475.445 5.254 30 20 JKED Cc1sc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc1-c1ccc(Cl)cc1 609438966 PPBUSKCWBRXZJY-AWEZNQCLSA-N 457.024 6.488 30 20 JKED COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3sc4c(c3C#N)CCCC4)C2)c2ccccc12 609563072 LMYBWLZQWIIHDY-QGZVFWFLSA-N 473.598 5.151 30 20 JKED N#C[C@H](C(=O)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347028 VIMDCTOGHDPHQT-QGZVFWFLSA-N 456.354 5.734 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1)c1ccccc1 613403012 ANULUMXTLVVBTI-RDTXWAMCSA-N 467.472 6.340 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1nc2ccccc2o1 614439867 RJHQIBQCJKWNJH-KRWDZBQOSA-N 461.319 5.145 30 20 JKED FC(F)Oc1ccc(Br)cc1CNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642198144 ZNZBEAAZUDJPDN-NXEZZACHSA-N 470.198 6.050 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c2cnn(C(C)C)c2n1 642282512 ZGIVTPOWOQLLSB-IBGZPJMESA-N 484.510 6.223 30 20 JKED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N(C2CC2)C1=O)Nc1cc(Cl)c(Cl)cc1Cl 726107232 ANGZZXNGPKNRII-LECRTAGSSA-N 497.835 5.076 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 726323139 YMEBUYZCDYCZJZ-QWFMPGPPSA-N 463.525 5.357 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc3ccccc23)N(CC[C@H](C)OC)C1=O 726394715 YKUIHANCBGZZOS-UUOWRZLLSA-N 491.613 5.234 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 726427905 AQLZJEZHAPHUKZ-PTNGSMBKSA-N 467.525 5.411 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1OC 726541111 WNZMKUFKWVFNML-SJAUKRLSSA-N 479.964 5.383 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729146596 ULWDZNFVHLJWFN-JOCHJYFZSA-N 492.670 5.791 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(C)c2)cc1OC 729255023 QQJWSFRSTMZNSB-AFXIAFRNSA-N 460.549 5.754 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC(c3ccc(F)c(F)c3)CC2)c1=S 729466643 WFBLOJMUNGSNMN-HSZRJFAPSA-N 484.572 5.228 30 20 JKED COc1ccc(CSc2nn(CN3CCC(Oc4cccc(C#N)c4)CC3)c(=S)s2)cc1 729467287 YBKHEWHSFXCKBL-UHFFFAOYSA-N 484.672 5.348 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(C3CCC3)C2=O)cc1OC 730459197 IINIUTYOMMFSFV-DEOSSOPVSA-N 489.597 5.370 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1F 730502924 IXPRDZKMQSPZJI-QGZVFWFLSA-N 465.522 5.287 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@@H]2CCCO2)cc1F 730533193 DSNTUJKIARUTCL-LAUBAEHRSA-N 490.000 5.235 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 730689996 OYYFPTRQVLEEMW-AOMKIAJQSA-N 469.850 6.220 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cocn1 730710516 NEWIBVLASFHWAT-HSZRJFAPSA-N 484.581 5.605 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730718500 ZZPKQSNCNZNIST-QFIPXVFZSA-N 474.517 5.127 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cocn1)c1cccs1 730729433 MGGMCCBWEUVUJR-QGPWZHNMSA-N 490.610 5.479 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N([C@@H](C)c2cccnc2)C1=O 730942660 UNEUKNZMEGXLOR-CYFREDJKSA-N 488.613 5.429 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 730944550 BXNZTIHCKLVQTI-BXKMTCNYSA-N 488.588 5.431 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 731076802 BFGCJURYVXGWOS-INIZCTEOSA-N 482.964 6.336 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1ccco1 731303841 CASBFWKUZYWKGB-XMSQKQJNSA-N 477.586 5.194 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCCc2ccccc2)C1=O)Nc1cccc(O)c1 731308112 XDNMJRVGKOKDDK-QHCPKHFHSA-N 477.561 5.124 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 732663430 UMWXKOVGEJJMMR-UHFFFAOYSA-N 488.609 5.152 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)cs1 744807333 XSKQGZRZMOJMFU-UHFFFAOYSA-N 492.630 5.293 30 20 JKED O=C1/C(=C/c2cnn(-c3ccccc3)c2)CN(Cc2ccccn2)C/C1=C\c1cnn(-c2ccccc2)c1 747317159 OZWNFTXZIJXDBU-JQMRRPHZSA-N 498.590 5.005 30 20 JKED Cc1cc(NC(=O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1Br 748988846 NBAIZWKPZAQECF-NRFANRHFSA-N 477.362 5.173 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 750704104 VZSIXHOMHNNMCQ-UHFFFAOYSA-N 464.566 5.428 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1 799218197 ZFONQYQETILJNG-QGZVFWFLSA-N 466.777 5.240 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H](C)c3ccccn3)C2=O)c1 837301617 MGNYMRLYKNAAFX-YKSBVNFPSA-N 472.614 5.728 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N([C@@H](C)c3ccccn3)C2=O)c1 837420015 NHUMMOOHRRXTBL-SQJMNOBHSA-N 486.641 6.037 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccccn2)cc1 837860882 OHSUHLJUCOSQMT-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CC(=O)N(c1nc(COC(=O)c2ccccc2CC#N)cs1)c1c(C)cc(C)cc1Cl 849211127 DRDGJYKPTLLQJJ-UHFFFAOYSA-N 453.951 5.521 30 20 JKED C[C@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 851756142 ZBLFXCRHIZWLIM-LURJTMIESA-N 479.172 5.301 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1F 914541630 XPSWCGFZZTZLNC-HXUWFJFHSA-N 467.591 5.034 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 914548550 LAWYMXRPNBQNDM-FQEVSTJZSA-N 498.967 5.043 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OCc1ccncc1 914691992 KVYZHIRRAOQTAB-UHFFFAOYSA-N 456.358 5.397 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C2CC2)[C@@H](C)C2CC2)c1 914841098 FAYDQPZSCGWBSO-KRWDZBQOSA-N 489.037 5.133 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 915087338 SBNWURIXSYJOEN-IXCJQBJRSA-N 493.994 6.495 30 20 JKED C=CCN(C(=O)c1cc2ccccc2c(Cl)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 915133981 ATBNBOKRFHHTNC-UHFFFAOYSA-N 450.907 5.753 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 915782622 BIPVRTHHUOCITJ-VWLOTQADSA-N 468.557 5.430 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(OC)c3)N(Cc3ccco3)C2=O)cc1 916207445 YGBKKONLNWEARW-QHCPKHFHSA-N 493.585 5.238 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c1 916210412 DGAJCGIHAOANCB-IBGZPJMESA-N 472.408 5.189 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 916210580 FAJFIHOUJHPYNE-SFHVURJKSA-N 467.488 5.461 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(C[C@H]2CCCO2)C1=O 916211321 MIGAEYRTSCTJHS-QPPBQGQZSA-N 495.645 5.232 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNc3c(Cl)cc(Cl)cc3Cl)cs2)cc1 916249171 RYYLTHUEWDFSRJ-UHFFFAOYSA-N 469.781 6.243 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)cc1 916686435 KCFZWCGHGFJRFB-AREMUKBSSA-N 471.557 5.250 30 20 JKED CCc1nc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2nc1CC 916884132 SCIPGOZMIZWENW-MRXNPFEDSA-N 454.502 5.030 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)c1 916896282 DROPXYZDKKEYLG-JOCHJYFZSA-N 451.530 5.257 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 916907141 LEUXSYGSQXBMBJ-OAQYLSRUSA-N 497.426 5.811 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916910304 WSQDIKYJJOXICB-NRFANRHFSA-N 486.959 5.872 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2n1C(F)F 917043861 PREDRPZGMKBRHL-KSFYIVLOSA-N 496.311 6.190 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccccc1SCC#N 917529997 WDXZUHWKJWVUOQ-UHFFFAOYSA-N 452.601 5.614 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2cc(C)ccc2C)cs1 917532314 RZQBNOOCGROQFT-UHFFFAOYSA-N 458.012 5.418 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)cs1 917560722 XHAMHJGKUHOMEZ-JLHYYAGUSA-N 462.962 5.871 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2csc3ccccc23)C1=O 917653198 MVVUCWYGCJKVOI-SFHVURJKSA-N 491.610 5.484 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccc1F 917702264 DRDGHEVVZQLHMI-JOCHJYFZSA-N 494.498 5.136 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3sccc3C)C2=O)c1 917702738 ILBPRGYCOLOODT-JOCHJYFZSA-N 488.638 5.706 30 20 JKED COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2C#N)cc1 917703466 MVLLOLMWUXPTSP-RUZDIDTESA-N 498.608 5.078 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1C 919066553 ZCOPENQAIMRHBC-UHFFFAOYSA-N 486.355 5.677 30 20 JKED Cc1ccc(C)n1-c1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C 920111325 SFYMFYWHGRXHCS-MRXNPFEDSA-N 470.385 5.748 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143751 ZQPCNVSOZIBGSE-SCLBCKFNSA-N 468.401 5.801 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(Cc2c(C)noc2C)C1=O 920353644 OLQZMAFYOQDFNL-QHCPKHFHSA-N 492.601 5.077 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cc(C)on1 920358279 ZVRTZJTYDDVNMO-JOCHJYFZSA-N 497.020 5.668 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806893 RZXDJANGONJDER-AWEZNQCLSA-N 454.889 5.726 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)cc1C 920892039 HZJGWKOWHIRCBZ-XMMPIXPASA-N 478.980 5.554 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1C 920893000 AFBSCEOVMQOTIV-JOCHJYFZSA-N 492.579 5.932 30 20 JKED C[C@H](OC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 920913338 MTZKKDYWHYEDOZ-HNNXBMFYSA-N 497.617 5.188 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C)c1 921252341 HIRWIHAFRSPKSU-NRFANRHFSA-N 475.561 5.050 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3\Cc4cc(C)ccc4C3=O)cc2OC)cc1 921263654 IGKFLBRHEHWZAY-KGENOOAVSA-N 457.526 5.242 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2(C#N)CCC2)C3)cc(C(C)(C)C)c1 1781023414 KEHXPCSEJKNEBU-AYWVHJORSA-N 493.692 5.103 30 20 JKED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCCCCCCCc1ccccc1)C2 1783172501 VTDOGVBBAJISNE-POURPWNDSA-N 480.693 5.277 30 20 JKED CCOc1ccsc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1785774390 TWTARVZPZSXKNH-UHFFFAOYSA-N 463.534 5.219 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)cc1 1786334466 XSQZDFMBBAKSTL-UIOOFZCWSA-N 465.553 5.118 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCCCNC(=O)OC(C)(C)C)cc2)CCC1 1786563178 BXQLAMXUTSPIBT-LJQANCHMSA-N 457.615 5.028 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1 1786903659 AKAIWRJYPRYSOB-UHFFFAOYSA-N 450.655 5.397 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ncc(OC(F)F)cc3Cl)cc2)CCC1)C(F)(F)F 1787111440 YFGKHPYWPNMOEM-UHFFFAOYSA-N 489.828 5.203 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)cc2c1 1789239802 AYDKXMGLWIXVDP-IBGZPJMESA-N 493.563 6.130 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4C=CS[C@H]43)CCC2)cc1)c1ccccc1 1789600556 MWSAHSCDWCTEOW-ZYQDXHPFSA-N 456.611 5.193 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4Cl)CCC3)cc2)c1 1790074408 USXNKCXHFUSSMN-UHFFFAOYSA-N 495.366 5.330 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4OCCc5ccccc54)CCC3)cc2)cc1 1790286906 MJTIBXBSSVLJLD-AREMUKBSSA-N 465.553 5.010 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ncc(C)s3)CCC2)cc1 1790519901 LRJGJHRVLBTARU-FQEVSTJZSA-N 498.649 5.059 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CCC1 1790740833 LUFLGCDRTZIOKY-UHFFFAOYSA-N 462.553 5.391 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)cc2)CCC1 1791146086 BHEDVHXYBDHRHF-OALUTQOASA-N 486.534 5.067 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(OC)cc34)CCC2)cc1 1791298602 GZJPEKROJYHIBS-UHFFFAOYSA-N 453.489 5.136 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791405363 VGLCQEYAERWJNU-NIYFSFCBSA-N 487.616 5.072 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)c1 1792127170 RXNDVGPMCYYOFO-FQEVSTJZSA-N 474.564 5.923 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nc(-c2ccccc2)sc1C 1794249066 QQCWPTXANUQSRQ-BJESRGMDSA-N 463.647 5.068 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occc2c1)c1ccc(C#Cc2ccccc2)cc1 1797566596 VBAZWAFAPZFZNM-OUOZDZGXSA-N 474.560 5.398 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(C(F)(F)F)cc3)CC1)C2 1798337557 QKIUGCZNWFIUNF-CIAFKFPVSA-N 460.540 5.144 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1C(F)(F)F 1799648271 SAOUQSRBHCYGDP-BJWYYQGGSA-N 488.403 5.429 30 20 JKED Cc1ccc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(C#N)cc3Cl)C4)sc2c1 1801085021 IDDSYBQQNRQQKT-REPLKXPHSA-N 463.990 5.300 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1Cl 1802733219 WYVABPASDLYVKJ-GBXCKJPGSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2cccc(F)c2)[C@@H]1c1cccnc1 1803082049 NFCKLPGSBKBHOO-RBJSKKJNSA-N 498.602 5.371 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803090047 FNBQYHSGDRHPPH-AUSIDOKSSA-N 489.513 5.328 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cnn(C(C)(C)C)c4Cl)C3)CC2)c1 1807685661 SMEFIIXZBOHYCN-LJQANCHMSA-N 496.055 5.077 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810174403 NILTWMYKWSCOFX-YMPZKCBVSA-N 471.523 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1810493983 AXFYPUOBPKJWFE-XUZZJYLKSA-N 465.638 5.593 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)nc2Cl)[C@H]1c1cccnc1 1810667848 WKABFUURUKPHLQ-FXAWDEMLSA-N 475.420 5.095 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c(Cl)c1 1810685555 KVPIUUVEWFEMSQ-WZONZLPQSA-N 497.357 5.033 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccnc1)c1ccccc1 1811085875 MQXTUKFKQLEDTC-NSVAZKTRSA-N 483.587 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)s3)[C@@H]2c2cccnc2)c1 1811936287 OTLKVKJHJSSJBM-SQJMNOBHSA-N 486.641 5.254 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1812369281 FZVORUYAMXLWGK-RCZVLFRGSA-N 480.678 5.359 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1812955487 ARBKGJNYLLCSBE-POURPWNDSA-N 491.676 5.046 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813226864 VKEOPKCRYCYPBS-CVDCTZTESA-N 491.941 5.267 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c1Cl 1814582214 VZAILZAXKGRONE-IBGZPJMESA-N 486.334 5.347 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c1 1814622693 CTIRRTCRNXHKCU-QRQCRPRQSA-N 479.943 5.449 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)[nH]n1 1814828737 RMGJSTSVFCUITA-OAQYLSRUSA-N 471.001 5.536 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)cc1 1815785676 AKGQDXGZZDOZQE-JKCKFMQZSA-N 492.583 5.101 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818214924 YGDUJVFKDFBAOL-DNVCBOLYSA-N 465.520 5.329 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)CCCC3=O)n[nH]1 1818691734 QQYVGFLGGQUAJQ-QFIPXVFZSA-N 462.594 5.227 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)Sc3cccs3)n[nH]2)c1 1819257889 LPMSPLJMFYEMIX-UZLBHIALSA-N 479.631 5.138 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)[nH]n1 1819307862 PATCAZLHWPIUTK-AZUAARDMSA-N 460.500 5.503 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)[nH]n1 1819555921 JUOIBCYRCYZZMR-JOCHJYFZSA-N 490.604 5.575 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1ccccc1 1820224076 ZPNLOMRZERHVFY-IIBYNOLFSA-N 461.953 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(F)c(F)c3)CC2)n[nH]1 1820688600 JTWHBAYELNMMDC-GCJKJVERSA-N 468.548 5.180 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC#N)[nH]n2)cc(C(C)(C)C)c1 1821193424 WTXCNWQMQWDWKU-JOCHJYFZSA-N 463.626 5.614 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n[nH]1 1821788757 VOPSGCDKMDBHHV-XMSQKQJNSA-N 488.554 5.504 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)ccc(F)c1F 1823203690 QWXWHUWNYXJQFB-FQEVSTJZSA-N 483.906 5.141 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1 1823989566 IDPHTFQYTLBOSZ-RUZDIDTESA-N 481.999 5.021 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnc3ccccc3c2)CC1 1824137423 JLLBOZXIAWZWEW-MUUNZHRXSA-N 473.661 5.556 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@@H](S)C(C)C)CC3)c[nH]2)cc1 1824536139 ZJHAZJAJPLSVEQ-RPBOFIJWSA-N 467.679 5.178 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C23CC(F)(C2)C3)CC1 1824583824 WFAYEBKSLWKKML-OCHSWLLGSA-N 484.615 5.212 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cnc2C)CC1 1829066198 URKOCOAJLYHHPO-JOCHJYFZSA-N 490.486 5.378 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1 1829067572 RTAWZZPTXNOVEJ-VWLOTQADSA-N 484.681 5.249 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829581497 ASRONRKEJDYRRD-UGKGYDQZSA-N 463.647 5.600 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829582200 MJXOGRUEJBSCEK-FQEVSTJZSA-N 485.600 5.599 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1Cl 1829685406 DUWMNUNMFUNARG-XMMPIXPASA-N 476.020 5.177 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1Cl 1829692742 MRSIIYHBLYRRKQ-XMMPIXPASA-N 481.999 5.217 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830717519 WLMWUJGINZQYBS-KLIIMXHUSA-N 489.591 5.043 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1830718855 RHOGJFGXUJMXSR-NDEPHWFRSA-N 496.586 5.306 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1 1830770072 IUEVHOIBEVHGNE-XMMPIXPASA-N 467.972 5.206 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3cn2)CC1)c1ccccc1 1830820033 VHNHIHPQHXXBIJ-AHKZPQOWSA-N 483.612 5.258 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)CC2)c1 1831019020 IGRGNOZSLKAGPW-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058997 BQUZMMCMISESBL-AZGAKELHSA-N 488.628 5.392 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1831445562 DDSUCIJZBAGGBG-QFIPXVFZSA-N 474.592 5.235 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1)C(F)(F)F 1831454862 CZKZZWXBWUGTCM-SFHVURJKSA-N 496.879 5.711 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1831522984 FRYIEKLLVKNMSU-QDPGVEIFSA-N 471.645 5.488 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1)c1ccc(O)cc1 1832480098 OFVGUKVNIYSYGX-SQHAQQRYSA-N 476.661 5.089 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832720330 UETCONQRINHLPV-LJQANCHMSA-N 455.813 5.294 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1832897926 NJBGJQGDJIITHH-UQBPGWFLSA-N 464.009 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3OC(C)(C)CC4)CC2)CC1 1838055194 CWVRJLSBAZPJOJ-RUZDIDTESA-N 494.676 5.171 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CSc3ccc(C)cc3)CC2)CC1 1838262404 OKOYGCULUKPVFN-UHFFFAOYSA-N 472.695 5.078 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(F)ccc4Cl)CC3)CC2)c1 1838671907 QHZFOHQIVYLJJH-GOSISDBHSA-N 497.998 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3cc(-c4ccccc4)ccc13)C2 1844356051 IYDJXBLOADHZHM-UHFFFAOYSA-N 456.590 5.039 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1Cl)N1CCCC12CN(C(=O)C13CC(C(F)(F)F)(C1)C3)C2 1844696392 BSEDSZHIQLTZHA-UHFFFAOYSA-N 498.826 5.048 30 20 JKED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc3occ(Cl)c3c2)C1)c1ccccc1 1844748134 HTKSMNXMYIDRQB-NRFANRHFSA-N 460.961 5.100 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 10118191 CXAHDDHZMGBFQU-UHFFFAOYSA-O 488.032 6.278 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10170983 UIJJUPHHGBLGFF-UHFFFAOYSA-O 488.032 7.033 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2ccc(C)cc2)cc1 10173410 VBZAGOHHQGNYJL-UHFFFAOYSA-O 478.638 5.408 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 10174149 YQOYYQPBJBBISE-UHFFFAOYSA-O 467.439 5.510 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 10828625 KDBBCGBOGQTZOR-UHFFFAOYSA-O 469.605 6.372 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(Cl)c2C)cc1 11258152 MGMXGWSXMFSVQN-UHFFFAOYSA-O 483.101 6.846 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 16210531 YZDBJZHNRUASJG-UHFFFAOYSA-N 496.567 5.024 30 20 JKED CCNC(=O)COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1OC 16408409 AXJZAZFZUNOYIR-HKWRFOASSA-N 472.566 5.243 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccncc2)ccc1Cl 17585141 HSQVEYRQQATMPO-UHFFFAOYSA-N 462.358 5.022 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2scc(-c3ccccc3)c2c1=O 21284498 INRPHGLLXITMMK-UHFFFAOYSA-N 491.642 5.353 30 20 JKED CC(C)c1ccccc1-n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1cccnc1 21681714 LVIASWUJFOWBDZ-NRFANRHFSA-N 496.640 5.880 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)c2Cl)cc1 22050440 VKSZITSWJMBJKH-FQEVSTJZSA-N 478.980 5.002 30 20 JKED C=CCN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 22575399 XONAPJRAFXOQDZ-UHFFFAOYSA-N 490.589 6.000 30 20 JKED Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1Cc1ccccc1 23607995 NJCFWORRCCUDAX-MRXNPFEDSA-N 489.626 5.436 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)c1 24112084 XTTITMANJJQNSD-GOSISDBHSA-N 453.999 5.273 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)c1C 28793857 VVWZWQRTAKIGEL-UHFFFAOYSA-O 461.394 5.479 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 30381769 MCHRRFZQOBLPCP-PGRDOPGGSA-N 461.027 5.372 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(Cl)cc1 36821534 HWPNAOVRQXNTCX-QGZVFWFLSA-N 455.027 6.336 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nc2sccc2c1=O 36849788 WRDOGHGDOPMFHK-UHFFFAOYSA-N 482.656 5.694 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1SCC(=O)N(C)C1(C#N)CCCCC1 39534911 DFSIBVGVGQPFBL-UHFFFAOYSA-N 490.073 5.649 30 20 JKED C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)cc2)C[C@@H](C)O1 58761014 LFBLBGUCNIQHQH-NHCUHLMSSA-N 471.626 5.249 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)c1 195644679 OEFGCJYVITYRLJ-UHFFFAOYSA-N 491.385 5.335 30 20 JKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc(N2CCOC2=O)c1 208087510 NVXMYGFGBCEHGK-KAMYIIQDSA-N 453.473 5.531 30 20 JKED COc1ccc(C(=O)c2c(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)sc3c2CCCC3)cc1 302599434 WZBTYKFCIYHHAH-UHFFFAOYSA-N 489.597 5.027 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(-c4ccco4)csc3n2)nnc1-c1cccnc1 302863799 DMKVMFSVOGZJBX-ZDUSSCGKSA-N 462.560 5.350 30 20 JKED CN(C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)C1(C#N)CCC1 303065010 MXQGPGVGMFLQSY-UHFFFAOYSA-N 452.630 5.474 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2Cl)c1 303214720 SJJADCABXJIBLM-NRFANRHFSA-N 460.965 5.439 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](CN3CCC(C)CC3)C2)cc1 303219730 UXUTXDLADXEZGJ-QFIPXVFZSA-N 462.594 5.335 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)NCc3ccccc3NS(=O)(=O)c3ccccc3)c2)cc1 486180615 TVCIFYQOSIKMFD-UHFFFAOYSA-N 483.549 5.081 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@H](CN3CCCCCC3)C2)c1 487844425 YXYGFILQWQXDCJ-HSZRJFAPSA-N 490.673 5.017 30 20 JKED CCOc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 505324946 KSYOPGXDAYHDCC-NTKDMRAZSA-N 482.584 5.639 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)c2)c1 505589479 COFQYMBCEJPHQW-DEOSSOPVSA-N 482.565 5.582 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 506596029 MQJJASZIHYZSRB-UHFFFAOYSA-N 489.622 5.604 30 20 JKED CCOc1cc(Br)c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1OCC 508051364 FZVLDDOBDVTSQS-UHFFFAOYSA-N 478.412 5.169 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(OCc2ccccn2)c1 510656021 CYBPDPNOAKRQKR-HXUWFJFHSA-N 464.525 6.207 30 20 JKED C=CCn1c(SC[C@@H](O)COc2ccc(Cl)cc2Br)nnc1-c1ccccc1 513503418 QHNQYEQFBXUPQJ-INIZCTEOSA-N 480.815 5.079 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1nc2ccccc2s1 513691396 BYTDVUAELKWCIB-QGZVFWFLSA-N 476.355 5.801 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 516061539 HPSJCYGOQZLFPT-UHFFFAOYSA-N 471.582 5.049 30 20 JKED CCOc1ccc(NC(=O)CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 516816557 DESSSMLUQDQWSH-QFIPXVFZSA-N 462.937 5.154 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 517517979 MRQKZCQZJDCFJB-OAHLLOKOSA-N 475.957 5.787 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n2)cc1 517796186 FPGTZJWWICRZKX-QHCPKHFHSA-N 487.606 5.434 30 20 JKED CC(C)c1ccc(CCNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 518676836 SWNAMWMCPBCGAN-UHFFFAOYSA-N 463.525 5.132 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 519193375 DXHAHEYNCOTYFC-UHFFFAOYSA-N 463.541 5.040 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 521809773 ISYOTHJQYZMQFR-UGKGYDQZSA-N 454.599 6.516 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(OCc2cccnc2)cc1 522337329 LLXFJDJTFRIYLD-JOCHJYFZSA-N 494.570 6.144 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2F)c1 524461389 WWCGPANXFFJWPB-UHFFFAOYSA-N 455.445 5.374 30 20 JKED C=CCN(C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 596292053 HFODSQJVUNSUKR-OAQYLSRUSA-N 494.599 5.113 30 20 JKED CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603673444 YOJVHTJOVPKMEP-HSZRJFAPSA-N 475.976 5.543 30 20 JKED CCN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)[C@H](C)c1ccc(C#N)cc1 603956648 YPPCXYJIAQIQRZ-CYBMUJFWSA-N 460.422 5.658 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1Cl 604134766 ATYMAYREMXAYPR-LADGPHEKSA-N 478.379 5.855 30 20 JKED CCN(CC)Cc1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604140353 PKOJFRIHVWHATE-VWLOTQADSA-N 489.019 5.092 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)cc2)cc1 608841496 SBOZYKMCCPXBFX-HXUWFJFHSA-N 483.503 5.951 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 608964588 USTIHZRIRQYNJY-UHFFFAOYSA-N 469.610 5.194 30 20 JKED CCc1c(C)sc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C#N 609033236 ZTZPQZWFTKFVBF-NRFANRHFSA-N 451.979 5.644 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 609062037 SPDYQOMFUIWFKT-UHFFFAOYSA-N 485.547 5.946 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 609431125 VMNXBXNRFVHRFI-KRWDZBQOSA-N 483.590 5.103 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CNC(=O)c4cccs4)cc3)n2)cc1 613319121 PGLGXPCIATZIGD-HXUWFJFHSA-N 457.580 5.600 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)sc2nc3n(c(=O)c12)CCC3 613393592 QXZYOXWEUTUFMF-DKBQWTPWSA-N 490.654 5.127 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2OC)nnc1-c1ccc(Cl)cc1Cl 614999540 RROGDCLPYFORRX-UHFFFAOYSA-N 463.390 5.486 30 20 JKED Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485366 LYUIWKXCZUXLNB-GFCCVEGCSA-N 467.719 5.302 30 20 JKED CCC1(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CCC(F)(F)CC1 622517275 FIDDJXDGJRCULQ-INIZCTEOSA-N 473.404 6.230 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1Cl 725993858 AVZJAKVCTLCACR-UHFFFAOYSA-N 465.840 5.149 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726112146 MMCYKANVNSSIER-QRWLVFNGSA-N 485.610 5.134 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(C(N)=O)cc1 726401666 BPLKVLVDVLHLNY-HSZRJFAPSA-N 488.613 5.089 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2ccccc2)cc1Cl 726571937 OUTDKLRFXQMZOC-UHFFFAOYSA-O 461.781 6.129 30 20 JKED C=CCOc1ccc(/C=C\C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1OC 726631579 UQHDYKJXEAIUDH-NTMALXAHSA-N 461.301 5.373 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 726755008 YEXVYLYDWCLOFQ-UHFFFAOYSA-N 459.509 5.461 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(S(C)(=O)=O)ccc3Br)c2C#N)C1 728804281 WAEVWVDBIHMRSD-GFCCVEGCSA-N 495.464 5.189 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 729555087 FJIHSBHJODYNMH-NFBKMPQASA-N 491.592 5.389 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C1CCC1 730461221 MYRSFYZDJRJDPQ-QHCPKHFHSA-N 459.571 5.361 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1F 730535021 NBOQOWRHAFHPPI-HXUWFJFHSA-N 455.486 5.027 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2CCc3c(Cl)cccc32)c1 730711957 JQAOOQRRDOPYRH-SFTDATJTSA-N 492.004 5.086 30 20 JKED C[C@@H](OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 730857418 GTGUKVJEJAKQKD-SSDOTTSWSA-N 494.294 5.240 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944113 QYOVGWYTDHHSLK-SBUREZEXSA-N 476.577 5.505 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCOCC3CC3)C2=O)c1 730944240 ULHMGKBTHVJHSG-QFIPXVFZSA-N 486.037 5.344 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCOCC2CC2)c1 730944999 KAFVFGCYVVVSPP-HSZRJFAPSA-N 496.032 5.017 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 730945141 OGNDNFORRLMTMM-NXZPMOODSA-N 489.626 5.166 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 731061589 XDURFRGPTMLUAA-GOSISDBHSA-N 473.598 5.693 30 20 JKED CCc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1cccc(Cl)c1 731070979 NRWXATGFJIHMTF-MRXNPFEDSA-N 482.993 5.278 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)cc1F 731077010 DMIADTCENQBYLO-MRXNPFEDSA-N 466.509 5.679 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1Cl 744596649 MKGDDYWGZSTRGC-UHFFFAOYSA-N 466.733 5.437 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2cc3ccccc3[nH]2)C1=O 746698291 ZERIOPXWDQIQPY-VWLOTQADSA-N 498.608 5.645 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2ccc(Br)cc2Cl)CC1 747239086 LMBCVPOCMDLFIM-UHFFFAOYSA-N 490.741 5.182 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc3c(c2)CCO3)C1=O)Nc1ccccc1F 750915265 CXBYMRAEFIWTNB-HSZRJFAPSA-N 493.535 5.060 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNc1nc(-c2ccncc2)no1 750948743 PMZSGVVREYBISW-UHFFFAOYSA-N 462.728 5.091 30 20 JKED C=CCOc1ccc(/C=C/C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1OC 769674051 JWSGDVXGMWZFQH-FYWRMAATSA-N 473.550 5.646 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(CC(F)(F)F)C1=O 799211792 PTKVRXHEFHEPNA-SFHVURJKSA-N 499.942 5.488 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(CC(F)(F)F)C1=O 799216320 WHYULSYMRKXTEH-FQEVSTJZSA-N 493.551 5.615 30 20 JKED COc1cccc([C@@H](CNC(=O)/C=C\c2ccccc2C#N)c2c[nH]c3ccccc23)c1OC 799926159 XYGDZMNSLGIOAG-DJKHGBOQSA-N 451.526 5.018 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)c(C)s1 836613683 XTBYABKEFGCJMM-MRXNPFEDSA-N 487.585 5.413 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3ccccn3)C2=O)c1 837778907 JYAFUVAWHFIWPU-JPYJTQIMSA-N 476.577 5.559 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](C)c2ccccn2)C1=O 837781089 CRYDTHYEFYDCJR-AOMKIAJQSA-N 495.004 5.465 30 20 JKED Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 883977989 CRJISLTYTRPLJB-BETUJISGSA-N 490.391 6.340 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 914548912 VNABBIMAYSCKSM-HSZRJFAPSA-N 477.561 5.133 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@H](C)Cc2ccco2)C1=O 914691721 RADRKIBSFHUMFJ-OPAMFIHVSA-N 481.549 5.019 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2Cl)cc1 915086040 GYZRVPCFQXQMRM-DEOSSOPVSA-N 454.961 6.109 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CCSc2ccccc2Br)c2ccccc21 915590408 MAILWVLFBVXPGZ-UHFFFAOYSA-N 471.376 5.226 30 20 JKED COc1cc(C=NNCc2cccc3cccnc23)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 915963418 WLHKTXKKWPCLMQ-UHFFFAOYSA-N 492.938 5.177 30 20 JKED CC[C@@H](CO)NCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1sccc1C)CC2(C)C 916571663 LOYATITVRIWEMQ-LXXRFIIISA-N 455.649 5.067 30 20 JKED N#C[C@@H](C(=O)CCCSc1ccc(Cl)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916652513 AZJXHYAAQDAIPW-INIZCTEOSA-N 458.008 5.678 30 20 JKED O=C(/C=C/c1ccc2c(c1)OCO2)C(c1nc2ccccc2s1)c1nc2ccccc2s1 916845008 NCLVBPRTVJLGGY-PKNBQFBNSA-N 456.548 6.049 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907814 XRVRIUBQOWXHPE-VGOFRKELSA-N 473.554 5.265 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916938409 MBNXIVJLYVPZOM-AWEZNQCLSA-N 481.858 5.891 30 20 JKED C=CCN(C(=O)C1CCN(Cc2nccn2C)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 917624397 BURDTMBPVLQKJA-UHFFFAOYSA-N 490.460 5.282 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1C 917665057 RYGSOWKJJQFRCM-IBGZPJMESA-N 493.601 5.307 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(C3CC3)C2=O)cc1 917700939 MNBMXGCKKRJAJF-QHCPKHFHSA-N 457.555 5.165 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O)NCc1ccccc1 917701291 NSDGLWMFMPFUMH-VWLOTQADSA-N 480.593 5.073 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N([C@H](C)c3cccnc3)C2=O)c1 917702703 ICNSFYDOLMAXKH-NTKDMRAZSA-N 483.597 5.292 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3nc(-c4ccc(OC)cc4)no3)n2)cc1 920141856 IEWRZRGIIBYTAV-FQEVSTJZSA-N 474.542 5.076 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)n2)cc1 920143455 PTZKNWVQRROARE-HNAYVOBHSA-N 481.364 5.218 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(Cl)cc2)no1 920354238 BAQUQMICUATBNX-IBGZPJMESA-N 490.919 5.075 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12 920585793 FQFUTZBTGFHTMG-UHFFFAOYSA-N 471.513 5.452 30 20 JKED N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CC1)c1nc(-c2c(F)cccc2F)cs1 920805381 CVYNEKDBZXFNSB-AWEZNQCLSA-N 459.315 5.759 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)ccc1F 1785788196 OCCBAGNXPBOYDY-UHFFFAOYSA-N 497.357 5.390 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)cc5cc[nH]c45)CCC3)cc2)C1 1785807784 PVLOFZLVPNOVPR-UHFFFAOYSA-N 478.390 5.644 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3sc(Br)nc3C)cc2)CCC1 1788871729 WQJGUAIWRDFJQD-UHFFFAOYSA-N 474.424 5.155 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393252 CARLTGSDEAIIQF-MSHUQIKOSA-N 494.979 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)CS[C@H]3CCCCO3)cc2)CCC1 1789550411 RDRMYIBIUWAFCN-VWLOTQADSA-N 486.754 5.431 30 20 JKED COc1ccc2nc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)ccc2c1 1790289952 FDASZZNJJRBHES-UHFFFAOYSA-N 476.536 5.177 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790591164 PDSPNUHKKSTLIN-FCFFNXBQSA-N 498.583 5.025 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4noc5ccccc45)CCC3)cc2)c(Cl)c1 1790767020 KJMWDHFGZPTXPE-UHFFFAOYSA-N 484.943 5.343 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)[nH]4)CCC3)cc2)c(Cl)c1 1790767655 CZVVGWIGNXZUMI-UHFFFAOYSA-N 486.881 5.620 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791402933 KKNSOOZKGUFNIL-XZOQPEGZSA-N 493.648 5.146 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)F)c4)CCC3)cc2)c1 1792123171 LBOYXYKGOJVLMZ-QGZVFWFLSA-N 474.511 5.708 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CSC4CCCC4)CCC3)cc2)c1 1792123388 YHHOYEKGOJEPKJ-IBGZPJMESA-N 461.631 5.737 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cnccc5[nH]4)CCC3)cc2)cc1C#N 1792168477 FXBWMVMNLJNMQL-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)cc2)CCC1 1792342215 FOCDMOOOJQJFBA-JBJBFBLISA-N 481.637 5.121 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)n2ccccc12 1799098638 QHCYETYDXPYKFD-BKFWDETESA-N 453.586 5.052 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(C)c2Cl)C3)c1 1800767358 RTFNWSWTXUQNOC-REPLKXPHSA-N 456.373 5.048 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1802743080 UARXVENSLTVKHK-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1803083701 HAVKOXMEEJUUCY-LEAFIULHSA-N 480.612 5.232 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc[nH]c4cc2Cl)C3)c1 1803678536 CAWGPDOHZMDMFT-KQLYMOGASA-N 460.965 5.014 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc5oc(-c6ccccc6)cc5[nH]4)CC3)C2)C1 1804785577 KWVGCZKWOHGYKJ-UHFFFAOYSA-N 457.574 5.239 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccnc(C(C)(C)C)c2)[C@H]1c1cccnc1 1804855203 SPAGNKPFLWCFDS-LADGPHEKSA-N 462.638 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4c3OC(C)(C)C4)CC2)C1 1805455263 SGJACIVBXQXOFK-UHFFFAOYSA-N 450.623 5.013 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1806544183 YODPQHOPJYHDQP-TZBSWOFLSA-N 485.550 5.117 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4c[nH]c(-c5ccc(F)cc5)c4)C3)CC2)c1 1807705164 MFWYZHJOIKNWQL-OAQYLSRUSA-N 498.602 5.606 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810112155 YQZSUKPYIZZDQH-DWLFOUALSA-N 471.692 5.322 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccsc2)[C@@H]1c1cccnc1)c1ccccc1 1810445835 ISRADDYQPYOTJM-NGRNTZOPSA-N 483.637 5.060 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1813048767 IFBOHASHNDAYGR-RBISFHTESA-N 496.636 5.415 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1813225172 JNOQLKOVHXJXHR-RNFYJSFISA-N 483.534 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813971120 WKKFTESYVQBDQY-FDDCHVKYSA-N 490.406 5.616 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ncc(Cl)cc3Cl)n[nH]2)c1 1814372166 XJDXVUWRJASDFP-VBKZILBWSA-N 497.386 5.358 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)[nH]n1 1814443103 MCKBYWFLWNRCGJ-JTSKRJEESA-N 454.537 5.312 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)c2ccccc12 1814573367 PMPXYQFXVOVKAC-QHCPKHFHSA-N 457.578 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(F)(F)F)n[nH]2)c1 1816425709 DLLAZHRARJCZCO-QVKFZJNVSA-N 496.493 5.070 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)[nH]n1 1816461829 ARQWZQBQDVXSDO-QFIPXVFZSA-N 473.577 5.029 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccncc3C(F)(F)F)n[nH]2)c1 1818287148 AQWZUOFUYAAJCB-BTYIYWSLSA-N 496.493 5.070 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1 1818644683 MWVKHSMTBUINDD-DEOSSOPVSA-N 487.680 5.315 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(F)CCCCC2(F)F)n[nH]1 1818884689 BYAFOGJYNQMKMV-VGSWGCGISA-N 454.537 5.312 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217749 NCFXNVBBGPHZKY-HXUWFJFHSA-N 465.916 5.002 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC3CCC(C)(C)CC3)n[nH]2)c1 1820979098 SUBULDUVOAMREN-QHCPKHFHSA-N 477.609 5.202 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)[nH]n2)cc1 1821182585 UKTZBBVSWGEXIZ-VWLOTQADSA-N 490.567 5.157 30 20 JKED C#CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3c4ccccc4n4ccsc34)sc2C1 1821190683 DPNQRLIVJFZAAB-MRXNPFEDSA-N 476.627 5.030 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)cc1 1821273890 SZSAIGKVXWIHPH-QHCPKHFHSA-N 459.525 5.164 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)[nH]n2)c1 1821324585 ANVDYJJQIONENQ-FIXSFTCYSA-N 487.991 5.353 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)[nH]n2)c1 1821325240 RMNAOXBJAACMCJ-JOCHJYFZSA-N 496.596 5.333 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1821919478 YCENUAYEFIABMP-AUUYWEPGSA-N 466.479 5.015 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1)C(F)(F)F 1821994492 WEKPHQHSALVUGR-IBGZPJMESA-N 497.477 5.575 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n[nH]1 1823136027 ZDQZYJMMVULFEV-QFIPXVFZSA-N 498.505 6.103 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)c1 1823217502 LJMHJIAQYKVJAE-FPTDNZKUSA-N 497.933 5.588 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1823418262 DJSKJYAHMLMSFV-VWLOTQADSA-N 477.568 5.344 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 1823683303 RYQMQFKLMNRLIP-VWLOTQADSA-N 464.009 5.078 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(OC(F)(F)F)cc3)CC2)C1 1823700902 MUXFLSNFCLWSAC-BWAMLYQTSA-N 476.539 5.184 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)C1 1823701401 JLSXXOBPZFSCNW-HHHXNRCGSA-N 459.634 5.294 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)CC1 1823997132 DNTUPNGUIANNQR-DEOSSOPVSA-N 454.680 5.037 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1824053152 HLNTXUIKJRZZKU-QFIPXVFZSA-N 499.442 5.126 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1)NC(=O)OC(C)(C)C 1824354897 QLXSGEFJFCYQGG-RPWUZVMVSA-N 489.701 5.046 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827333600 UVBMUHAQXYKAIM-GJZUVCINSA-N 490.648 5.091 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)/C=C/c2cc4ccccc4o2)CC3)c1 1827696432 BHHSALYLNRVHKF-LVVONUJMSA-N 496.592 5.456 30 20 JKED CCc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc(C)n1 1827930498 QEWRPZFWIOUYDT-VWLOTQADSA-N 479.024 5.025 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1828827182 JDVRPPRKPAFKSU-SIKLNZKXSA-N 492.582 5.504 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1828907602 DVRDMZSMKIMZOT-GJZUVCINSA-N 478.700 5.403 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1829066570 JRGDHYGRPHBLPD-RDPSFJRHSA-N 456.593 5.516 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1829648114 YLLGSJQTAPVILM-HSZRJFAPSA-N 489.607 5.178 30 20 JKED Cc1cc(Br)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830017453 YREJKLQOLCPQGT-DEOSSOPVSA-N 494.433 5.176 30 20 JKED O=C(c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601924 MITPZHSDOBUTLW-MHZLTWQESA-N 466.581 5.227 30 20 JKED O=C(CC[C@@H]1CCOC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830605036 VXNHXROFKKQUDR-POURPWNDSA-N 498.667 5.136 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c(C(F)(F)F)o1 1830630013 DQDGADSXXNWGEF-JOCHJYFZSA-N 487.522 5.220 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830730388 XGCFUMGYEZZFDU-HSZRJFAPSA-N 471.573 5.044 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1831317654 OVSCVQAJLQXHJA-PXDATVDWSA-N 487.084 5.220 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(Br)cc2C)CC1)C(F)(F)F 1831452962 GUQXUCOZBMVCQM-OAHLLOKOSA-N 493.389 5.171 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 1831565235 ALQKDVILQIXVNO-YGPDHOBYSA-N 463.666 5.448 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1)c1ccc(O)cc1 1831926332 QAVBGUXHGGXLSR-AMGIVPHBSA-N 494.582 5.101 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1832034045 FXBWEXGYYQBKGF-RUZDIDTESA-N 466.025 5.315 30 20 JKED Cc1cc(C)n2ccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2n1 1832634897 XDGRAWTUWAREIF-HRFSGMKKSA-N 497.643 5.125 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832713159 LHAOFXONCSLHCC-WOJBJXKFSA-N 475.457 5.320 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)c3ccccc3)CC2)cc1C#N 1832900374 NBBKOBZKVXYBPZ-WXVAWEFUSA-N 487.644 5.382 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1838055333 CYXQVBKCDXIAGJ-JOCHJYFZSA-N 498.067 5.510 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCCC12CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1845345875 ODVRDRBSDYNNOU-CTYIDZIISA-N 480.424 5.030 30 20 JKED COc1ccc(/C=C2/CC/C(=C\c3ccc(OC)c(Cn4cccn4)c3)C2=O)cc1Cn1cccn1 2787374 WCIHYANSSPDYMO-REPVBDINSA-N 480.568 5.023 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2 8629139 QLMTXTYOOISZMN-GHRIWEEISA-N 481.533 5.156 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179769 FMQWXFPYEKKRIN-UHFFFAOYSA-O 497.587 5.978 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccccc1C(F)(F)F 11157344 YSEGBJHXOLGEAH-UHFFFAOYSA-O 465.467 5.884 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)cc1C 12196927 BSKGAPBOQUOLHM-UHFFFAOYSA-N 469.010 5.287 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)COc3ccccc3Cc3ccccc3)n2)C[C@H](C)O1 14122045 IYGNHGHLQBRGCN-OALUTQOASA-N 451.592 5.010 30 20 JKED C[C@@H](Nc1ccc(COc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C#N 15476660 UDIPGPJDCLSTSN-MRXNPFEDSA-N 450.336 5.339 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1ccoc1C 16726728 PECRTIYYKNDWIA-GOSISDBHSA-N 476.627 6.303 30 20 JKED O=C1Nc2cc(F)ccc2/C1=N\Nc1ncnc2cc(-c3ccc(Br)cc3)sc12 18888756 BWBZOIQKXIGBPT-UHFFFAOYSA-N 468.311 5.028 30 20 JKED C=CCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc2scc(-c3cccs3)c2c1=O 21181046 VOTAKSFGHRIFLT-UHFFFAOYSA-N 498.680 5.580 30 20 JKED C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2cc(-c3ccccc3)sc2c1=O 21494378 DVGNHWRDAPANOC-UHFFFAOYSA-N 496.545 5.089 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc12 21930250 PLSOAVUFUHVJJW-OAHLLOKOSA-N 490.610 5.060 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)s2)c1 22725075 IXKOVKMPLLLHNF-UHFFFAOYSA-N 478.603 5.252 30 20 JKED C=CCn1c(SCc2csc(N(CC)C(C)=O)n2)nnc1-c1ccc(Br)cc1 23581395 GWSJZVSWPTUJCK-UHFFFAOYSA-N 478.441 5.015 30 20 JKED C=CCn1c(SCc2nc(C(C)C)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 29139873 ISSLUFJYDAMWGM-UHFFFAOYSA-N 456.568 5.557 30 20 JKED Cc1cc(N(CCC#N)C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)ccc1Cl 31626999 NCPSVWRVHGGRGM-UHFFFAOYSA-N 480.952 5.173 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1 32936413 PLMFQHQWRKPWRY-UHFFFAOYSA-N 496.527 5.305 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)nnc1C1CC1 36661751 PEVPHUOKBJBABI-IBGZPJMESA-N 473.558 5.151 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3Nc3ccc(OC(F)F)cc3)CC2)cc1 105547517 DZRFLNFASZMVBI-UHFFFAOYSA-N 476.527 5.251 30 20 JKED N#Cc1c(CCCNC(=O)CCN2c3ccccc3Sc3ccccc32)nn(-c2ccccc2)c1N 106081406 YMNVELGRFYOYFT-UHFFFAOYSA-N 494.624 5.068 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 108012204 TWGNDPGSRARNTR-UHFFFAOYSA-N 472.520 5.051 30 20 JKED CCC[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 110397358 KQXFTSKDFDRQOC-IBGZPJMESA-N 486.494 5.699 30 20 JKED Cc1cc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)ccc1F 195580391 ABRHYPUANRSQSC-QGZVFWFLSA-N 466.925 5.770 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(COC(C)C)cc2)c1 195642911 LJCWSEIOXHSGGO-UHFFFAOYSA-N 499.032 5.899 30 20 JKED C=C(Cl)CSC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 206807236 ZCLRRTIAFYXVMT-XDHOZWIPSA-N 463.937 5.583 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 302852498 CGKPZARIMAYFFB-UHFFFAOYSA-N 453.416 5.848 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1Cl 409765270 CGXXQGVXGOWDFW-BBVWWWHTSA-N 459.977 6.285 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)c2)c1 409781852 GDJXVYNHNCTSNK-UHFFFAOYSA-N 464.403 5.458 30 20 JKED Cc1c(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cccc1C(=O)N1CCc2sccc2C1 477232327 IYVHXAMVQBKNIS-VWLOTQADSA-N 473.598 5.169 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 484332607 KOUDECZASITKIM-UHFFFAOYSA-N 456.477 5.113 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 485528626 PAUFEGQSMLRXMA-UHFFFAOYSA-N 480.927 5.224 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CSc3nncn3-c3cccc(Cl)c3)c2)cc1 486038797 ASGFVTREVBEENU-UHFFFAOYSA-N 489.988 5.297 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 498311435 PEXPCTPUJPFGIR-UHFFFAOYSA-N 479.505 5.159 30 20 JKED C=CCn1c(Sc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)nnc1-c1cccnc1 498690435 YKJGHBFUJQOZRW-UHFFFAOYSA-N 485.642 5.411 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)n2)cc1F 500739130 OGWBGQFQKDDGLN-UHFFFAOYSA-N 456.477 5.728 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)CC1 503265397 OTBSSTMGNSHXCY-UHFFFAOYSA-N 497.477 5.167 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 507179380 JYPZYVLZYPHLJU-SFHVURJKSA-N 474.424 5.045 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 508141098 FKUBPOWWOJCLTP-YADHBBJMSA-N 457.599 5.799 30 20 JKED C=CCn1c(SC[C@@H](O)COC(C)C)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 508362052 WORLYNRSJIOMSC-NRFANRHFSA-N 474.630 5.533 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509900241 QTOFAFOHDHNOCA-HHHXNRCGSA-N 455.558 6.099 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 510240974 JRBZPPPUGFTLSI-FQEVSTJZSA-N 472.520 5.681 30 20 JKED Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)n1 510856223 DDWPUUJJNHBDCH-NRFANRHFSA-N 469.545 5.245 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 512534317 PHMLQMHZUUHRBQ-ZDUSSCGKSA-N 458.008 6.067 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 513311983 YGBXCDKWUUWMOY-UHFFFAOYSA-N 466.404 5.007 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1nc(-c2ccncc2)cs1 517891517 OCXWRDHFPGRIQK-SFHVURJKSA-N 494.345 6.389 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 519129006 KICDCYOAVUORRR-CPJSRVTESA-N 473.598 5.015 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc12 519427795 UZFMJMYORJCTHJ-OAHLLOKOSA-N 464.591 6.098 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)CCOCC1 521746300 DQYRWJORSBHUFM-LJQANCHMSA-N 453.608 5.125 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccc(Oc2ccccc2)cc1 522497065 WCURVJYIOGEMCH-IBGZPJMESA-N 478.508 5.354 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 522570212 IYJOATDRYSSDOA-UHFFFAOYSA-N 469.472 5.052 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)cc2)cc1 523213105 WXBNUFGGAJGQAS-UHFFFAOYSA-N 477.948 5.045 30 20 JKED Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccc(COc2ccccc2C#N)o1 524377770 RAAOPQIKBKCCKB-HSZRJFAPSA-N 452.514 5.413 30 20 JKED Cc1ccccc1Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 524676252 MSQUFXXZVCQVNV-GOSISDBHSA-N 459.571 5.294 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2)c1 562868660 MIZMOPDXDOLBNN-IBGZPJMESA-N 458.493 5.372 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)cn2)c1 603623297 RFFNJVSFEBYIJY-UHFFFAOYSA-N 480.471 6.069 30 20 JKED CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)cc1 603637575 IGBAFYVZZHWTLY-UHFFFAOYSA-N 496.592 5.192 30 20 JKED CSc1ncc(Cl)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)n1 603671917 JFGUUJTXDCYQMK-UHFFFAOYSA-N 469.901 5.042 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c2cccs2)cc1 604138710 FQHAOIOOUVVKOT-DEOSSOPVSA-N 461.587 5.398 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1C 604519663 MTIGBDAOTDBMTG-SHQCIBLASA-N 456.590 5.321 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 608817526 XVLYBGIHMXVYTA-JOCHJYFZSA-N 482.515 5.346 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 609061493 OVHKYVBPWCNOCQ-UHFFFAOYSA-N 467.573 5.224 30 20 JKED CCn1c(SCC(=O)Nc2cc(C#N)ccc2OC(F)F)nnc1-c1ccc(Cl)cc1Cl 609068365 PJINVYTUYFWBEU-UHFFFAOYSA-N 498.342 5.476 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCN(C(=O)c4ccccc4)CC3)cc2Cl)c1 609080389 YZKMNUNTPUJHEL-UHFFFAOYSA-N 488.975 5.171 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 609084084 QEXXQIHYSGDWNN-VWLOTQADSA-N 473.960 5.305 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)c2)c1 609160838 HCKVUESDTZHBJZ-UHFFFAOYSA-N 469.463 5.096 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCC(C)C)cn1 726119210 UBKZKBQLFXWZPB-JOCHJYFZSA-N 463.607 5.063 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 726266418 HNLRZCXSOHDAHD-HSZRJFAPSA-N 480.584 5.056 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 726397832 JFFBXIVEXYWGLG-AUSIDOKSSA-N 467.635 5.306 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)cc2F)cc1 726571364 VHMBPEYUVDELNZ-UHFFFAOYSA-O 456.925 5.663 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 726572651 HICHUXSFNJHKBR-UHFFFAOYSA-O 461.610 6.178 30 20 JKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccc(OCC#N)cc2)cc1C 727678614 SAUYFFWIRJMESK-UHFFFAOYSA-N 450.542 5.048 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 727997206 UTARBERYOKNRFQ-UHFFFAOYSA-N 488.547 5.925 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(CCCCC#N)C2=O)c1 728777464 KXHXHMVRUZZDDS-QFIPXVFZSA-N 483.037 5.919 30 20 JKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc21 729413480 VNFULOATDKZGBK-UHFFFAOYSA-N 499.636 6.791 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc2)cc1 729891800 MYLIPNXCRRUWIK-RBBKRZOGSA-N 472.495 5.478 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O 730461072 KXSFPBQJLJOQFJ-HSZRJFAPSA-N 487.581 5.359 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCC2)cc1 730462902 QQUZHAOYWKLYRC-NRFANRHFSA-N 455.555 5.126 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(F)c1 730535176 KVXDBXOFDAPNLZ-GOSISDBHSA-N 465.472 5.299 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cocn3)C2=O)cc1Cl 730716712 YUMADZHMMOQOGH-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)c3cccnc3)C2=O)c1 730944904 HWERFCQTOGXDSE-SBUREZEXSA-N 494.567 5.698 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 730945144 OGSUPCXOLLXETO-UBGULTHHSA-N 499.061 5.948 30 20 JKED Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731070158 HFGQMUULOCVQOZ-HNNXBMFYSA-N 451.573 5.308 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 731074218 LOHPTWRBHGGUGM-ZDUSSCGKSA-N 477.464 5.114 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731307494 SXBDLCJIEAOXRU-IBGZPJMESA-N 471.991 5.268 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CCCC2)cc1 731312327 NKKDWZSWKBCXCD-QFIPXVFZSA-N 467.591 5.082 30 20 JKED COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1OCCCC#N 747361860 ZGQDAOFHKNTIDG-FXBPSFAMSA-N 454.551 6.411 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)cc1 748481587 FESVRWRHCWLURH-APWZRJJASA-N 463.969 5.519 30 20 JKED COc1ccc(-c2nc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)cs2)cc1 767044528 DRZZOMHOBQGPGA-UHFFFAOYSA-N 458.568 5.448 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1 837300264 AJYMYXPDYRSBOA-IBGZPJMESA-N 457.527 5.187 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 837382358 DHFNVRZULPKKBR-VGOFRKELSA-N 462.550 5.251 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccs2)C1=O 837740424 NKRKYZGAEOZHRQ-OAQYLSRUSA-N 483.590 5.099 30 20 JKED C#CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1OCC 844255866 PMOHLYRYLXGVMV-QGOAFFKASA-N 453.951 5.246 30 20 JKED C=CCn1c(Sc2ccc(C(F)(F)F)c(Cl)n2)nnc1[C@@H]1COc2ccccc2O1 913409115 VBTAJWBJKMVPAY-AWEZNQCLSA-N 454.861 5.195 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c(=O)oc2c1 915085790 CCBKXRIUTIVVEA-RUZDIDTESA-N 452.510 5.337 30 20 JKED Cn1c(=O)n(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc21 915102965 MAKHBOQUHQWXPJ-OAHLLOKOSA-N 471.369 5.037 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(CC)cc3)s2)cc1OC 915112721 IGFCYRQACAOKCJ-QGOAFFKASA-N 455.967 5.663 30 20 JKED CN(CCOc1ccc(Br)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915353695 WBLJWNUPMXTFLL-QHCPKHFHSA-N 464.363 5.647 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(\Cl)c3nc(O)c4ccc(C(F)(F)F)cc4n3)c2)c1 915984413 KNOUUMBXANPESA-NHDPSOOVSA-N 481.861 6.542 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1OC 916134774 SAIKQZBKPVVWLL-YCRREMRBSA-N 487.886 5.549 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O)Nc1cccc2ccccc12 916206427 QRDMJVPXSCYRFC-DEOSSOPVSA-N 484.556 5.534 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(F)cc2)c1 916210598 FOJTUEQERPGRNV-JOCHJYFZSA-N 499.514 5.273 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916211995 STQGCLBODFCVGW-LJQANCHMSA-N 490.944 5.290 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)CCCC3 916288510 IJIMPZOOSNIBPU-UHFFFAOYSA-N 469.545 5.211 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C4CCC(C#N)(c5ccccc5)CC4)c23)cc1 916613509 ODBPPHQSSONLCD-UHFFFAOYSA-N 453.571 6.170 30 20 JKED N#C[C@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916848062 ZVFVZMVHZFNYTE-HXUWFJFHSA-N 469.566 5.122 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 916905424 CCJKALNWVKROPQ-QHCPKHFHSA-N 492.417 5.943 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)C(=O)Nc1ccccc1Cl 916913250 VTYMDULYMAXOFU-HXUWFJFHSA-N 459.908 5.908 30 20 JKED CCc1ccccc1N1C[C@H](C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1=O 917042223 DLTASHHIIVDRQQ-GDBMZVCRSA-N 457.477 5.107 30 20 JKED COc1cc(C=NNc2nc(C(F)(F)F)nc3ccccc23)ccc1OCc1c(C)noc1C 917215189 KDNZIUDJBRVMCC-UHFFFAOYSA-N 471.439 5.287 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 917637151 YRJGSLZSVRBXMZ-AWEZNQCLSA-N 496.725 5.914 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)cc1C 917660558 WVPOVZXSCQHHEP-YZUZCNPQSA-N 494.636 5.030 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1C#N 917702709 IHXQOQBOWNFJEJ-SFHVURJKSA-N 491.787 5.112 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920108154 AWLVUQQBEZFESJ-IIBYNOLFSA-N 496.032 6.089 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc(-c3ccc(OC)cc3)cs1)O[C@H](C)C2 920144054 XAYCAOYYYLPIDY-PRSPHKQWSA-N 460.555 5.430 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1C 920893671 FIQUIKLBZYIIBC-UHFFFAOYSA-N 484.528 5.191 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CCO2)C1 1778882123 FGXRDNPRKGELGZ-SUYBVONHSA-N 495.623 5.114 30 20 JKED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)C2)C1 1782112613 SMVFBRVYXNOIGF-HKBQPEDESA-N 496.607 5.269 30 20 JKED COc1ccsc1C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785795751 AVAFJJUZQQVGIL-UHFFFAOYSA-N 459.571 5.009 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(Br)cc34)CCC2)cc1 1785934877 HPRNHVFBZMSSEQ-UHFFFAOYSA-N 479.378 5.228 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)cc1N(C)C 1786042731 TWQFFLOWJZMQNX-UHFFFAOYSA-N 496.611 5.013 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4OCCc5ccccc54)cc3)CCC2)c1 1786313549 DNEOMMSKAZXLRJ-MHZLTWQESA-N 495.579 5.019 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(F)ccc3Br)CCC2)cc1 1786678684 ITNWLSKXEVXKMP-UHFFFAOYSA-N 491.426 5.184 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccn(C(C)(C)C)n4)cc3)CCC2)c1 1787123812 WPQCCTNRNFAMIF-LJQANCHMSA-N 469.589 5.327 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CC[C@H]4CNc5ccccc5C4)cc3)CCC2)cc1 1788068528 YKPNOGJNDRAFPX-HSZRJFAPSA-N 492.623 5.565 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)c[nH]4)cc3)CCC2)c1 1788721887 MRLPDLMPAIHVRT-INIZCTEOSA-N 480.490 5.722 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4csc(Br)n4)cc3)CCC2)cc1 1788834493 UAAARZFLHWBHIW-UHFFFAOYSA-N 495.402 5.033 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cc2)CCC1 1789107409 QKBRWCPEDOFHPT-GOSISDBHSA-N 467.997 5.307 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C)CN3C(=O)OCc3ccccc3)cc2)CCC1 1789215902 HKXBMXXHWDLKQR-SQJMNOBHSA-N 489.616 5.134 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1789456906 YUQBTUSDRNPGSL-GMAHTHKFSA-N 483.653 5.582 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(N4CCCCC4)cc3)CCC2)cc1 1789577099 UYVZQOKCVBGCHU-TWKHWXDSSA-N 484.600 5.137 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CCC2)cc1 1789625408 BZBIJSYJGADKGF-ZTOMLWHTSA-N 471.601 5.023 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791244700 YAWBXTSPUAJLHE-UGKGYDQZSA-N 469.626 5.122 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(OC)cc4)on3)CCC2)cc1 1791248106 SFJHHYXBTQJNFG-SFHVURJKSA-N 459.546 5.310 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1791586266 XPOVTDQASVPUTR-UHFFFAOYSA-N 466.541 5.374 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCCc4cccnc4)cc3)CCC2)c1 1791951678 QUEQYOARWFGBDK-NRFANRHFSA-N 466.585 5.479 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCc5ccoc5C4)CCC3)cc2)c1 1792123042 HQYVVFQAYXACNU-AUSIDOKSSA-N 467.569 5.459 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4ccc(F)cc4)CCC3)cc2)CCC1 1792231322 ITLYMWTVLUFXSX-UHFFFAOYSA-N 468.532 5.329 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCC(C)(C)C)C2 1793833292 PHQHGYJQIOHHII-LRSLUSHPSA-N 477.690 5.091 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc3ccccc3c2)cc(C(F)(F)F)c1 1795541501 OYSSKJQRZLGNLL-QEIWAGNOSA-N 491.513 5.225 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn3cc(C(F)(F)F)cc(Cl)c3n1)C2 1798334821 LWTHNLSWIMVMDR-XMTFNYHQSA-N 494.945 5.027 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C4CC4)cc2)C3)cc(C(F)(F)F)c1 1800740684 BEBFMGZRJZSVGV-NUNAXRQHSA-N 467.491 5.020 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1F 1800851410 IWMVNKSLQAKQFT-KIHHCIJBSA-N 464.556 5.652 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccnc1 1802496350 PUMJDVQCFCIODI-CVDCTZTESA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@H]1c1cccnc1 1802499727 IHFPUXRHTVIYBY-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1802499903 KDWMGKFXRIKHQS-ZCYQVOJMSA-N 453.671 5.686 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1802729066 JRDNRZNLPMYZHI-NFBKMPQASA-N 454.014 5.355 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1802747543 RQHHKQFFDQAZIV-KXVHNFKESA-N 487.003 5.304 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1803604411 SJBAJRYTSIIUPR-SSKFGXFMSA-N 488.078 5.224 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)C1 1806016487 MFJAVJTXQSBAIC-UHFFFAOYSA-N 481.464 5.140 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1 1808977463 UPMXDIYQGUSGKZ-YZNIXAGQSA-N 488.591 5.059 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CSc2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1810448109 ZNFGQILXTPRRSE-RWPDHJIBSA-N 497.664 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2OC)[C@@H]1c1cccnc1 1810502008 GAPJKVYJCFUXGA-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccnc1 1810505449 UXYBDIFKPSQUKC-ILBGXUMGSA-N 463.622 5.182 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c(Cl)c1 1811752359 ODNOVZGGBMRQNE-UZUQRXQVSA-N 497.357 5.033 30 20 JKED CC(C)C1(C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CCC1 1811875029 DDDZUKFGKPKUIL-REWPJTCUSA-N 498.549 5.118 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1812523114 XFIGGJNTOBUHQK-GJZUVCINSA-N 478.036 5.056 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1812588920 WYLVIIAGUCLJFA-SMTRDTIPSA-N 477.008 5.123 30 20 JKED CC(C)c1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1812829379 DPEVWJINKCUBHU-PKIMSIDOSA-N 494.639 5.394 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]n2)cc1 1814496947 YENOSCUBBWENQD-VWLOTQADSA-N 481.600 5.028 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)[nH]n1 1815656023 DNGHKUJWNMXJNX-GOSISDBHSA-N 467.422 5.250 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccs3)n[nH]2)c1 1815994095 CYTZPLSCFPSRKL-HTAPYJJXSA-N 461.591 5.037 30 20 JKED CC(C)c1csc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)n1 1816063088 YXZFCDUMAOOEOL-HXUWFJFHSA-N 485.730 5.347 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc(-c3ccccc3)ns2)n[nH]1 1817676641 ZWJJTTUBYAOXCI-UYAOXDASSA-N 476.606 5.003 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819029084 NCVJHRLZEDCCGN-SFHVURJKSA-N 491.598 5.186 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3n2)n[nH]1 1819187413 QRCUSLMVUHRMSX-QVKFZJNVSA-N 496.409 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1819306814 FWZJDAVTVJDKHD-MSGLPKEPSA-N 458.562 5.630 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1819310067 OUQVHQQWAFFGNZ-UTKZUKDTSA-N 492.517 5.571 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1819359016 FBAUQJVDVVSENU-HJSOSKBTSA-N 471.586 5.202 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)n[nH]1 1820213285 OSIOJMKBTJCNJE-QFIPXVFZSA-N 490.995 5.100 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1 1820483814 HPOWVFAEROPEBZ-VWLOTQADSA-N 490.567 5.272 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(-c3cnco3)c2)n[nH]1 1821186972 YOQKZLOXFAYCQI-NRFANRHFSA-N 461.566 5.363 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821611169 IGDKNVORBMHCPP-VGSWGCGISA-N 487.560 5.416 30 20 JKED C[C@H](c1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)cc1)C(F)(F)F 1821787936 FOLBYWVKCULHEQ-OXQOHEQNSA-N 487.526 5.004 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1821986656 ZVYUEOSLIYHIAU-SFHVURJKSA-N 489.910 5.235 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)[nH]n1)C(F)(F)F 1821992504 WWIREKMAHBZOKK-OAQYLSRUSA-N 485.510 5.053 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)[nH]n2)c1 1823218331 QPNWBOLQSXTEOA-LIRRHRJNSA-N 497.386 5.358 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2Cl)CC1)c1ccccc1 1823621571 TYGLSFOUITWSCP-ILBGXUMGSA-N 478.036 5.166 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)CC2)C1 1823701196 BXUHBKXSAKRBDZ-MHZLTWQESA-N 474.645 5.583 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)CC1)c1ccccc1 1823727743 NRIZQQPPLUXAIV-KLRYLUDWSA-N 483.656 5.220 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1824540329 XJTQKGAVMQVFTK-LEWJYISDSA-N 487.632 5.276 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3F)CC2)c1 1824729392 JWSNTRQZUHMYMN-JTSKRJEESA-N 453.583 5.061 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1827517800 PSKFAGDZBOXCDD-JIPXPUAJSA-N 499.655 5.574 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)CC1 1827720152 RUCZMMLFJRQBNK-UPVQGACJSA-N 478.662 5.207 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 1828447831 FHIJINBPFTTYEK-XMMPIXPASA-N 499.493 5.294 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828656610 JEVPNLLFXSTEEX-KSFYIVLOSA-N 489.479 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)CC1 1829290354 PPJXJDXURBOZDO-ILBGXUMGSA-N 461.606 5.343 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1829493062 ZJZDUELIANYPBS-GDLZYMKVSA-N 492.623 5.096 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1)C(F)(F)F 1829906913 BFGQCYJSPFFEEX-QHCPKHFHSA-N 486.534 5.831 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 1830577973 GBYJMOUDZCCFNQ-OAQYLSRUSA-N 468.947 5.558 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1830764932 ATWNKRANUVZKME-FOJYNEPKSA-N 489.582 5.469 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1831001225 LDBCFKZRCARVOJ-HSZRJFAPSA-N 483.603 5.739 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1831371513 VYTMUWVYUVPZGB-WZONZLPQSA-N 454.014 5.334 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1Cl 1831787280 FMGNPHAHFMVHSG-GVAUOCQISA-N 476.020 5.249 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1831860650 VQAIHNSENSEPLN-QFIPXVFZSA-N 466.544 5.217 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1831954634 BRUKPORGKJLYTJ-DEOSSOPVSA-N 481.999 5.135 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1832031012 CSJUBVGKOIXRGV-ZXYASIKESA-N 485.466 5.276 30 20 JKED COc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c2c1 1832632194 MJCJYTFVFJWNFC-NGOKVRLYSA-N 498.627 5.351 30 20 JKED CCOc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633057 BPRFGPNNKWYRDR-KDYSTLNUSA-N 473.617 5.259 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1832828556 LSDNJYKMTIOFNX-DEOSSOPVSA-N 457.574 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4sccc4c3O)CC2)CC1 1838424595 NJMHWGBKUXIOIS-UHFFFAOYSA-N 484.662 5.212 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4occc4n3-c3ccccc3)CC2)CC1 1838520974 ZSRQKYUOLYSRDV-NRFANRHFSA-N 489.616 5.048 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CCc3cc(Cl)ccc3Cl)C2)c1 1845889677 IBSAKGPILRLHLS-KRWDZBQOSA-N 470.400 5.070 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)nc2ccccc2c1=O 10093366 OXODYWGOAOQJRZ-IBGZPJMESA-N 492.651 5.176 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 10172845 YATRGXIHBIGDSB-UHFFFAOYSA-O 497.631 7.047 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(Cl)cc3)n2)nnc1-c1ccncc1 10277788 YCSBJMVFTMEZTE-UHFFFAOYSA-N 455.996 5.507 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccccc2F)cc1 11169624 AYOPDWZCGFQPHE-UHFFFAOYSA-O 458.376 5.489 30 20 JKED N#CCC[C@H](C#N)CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 15234424 VSDVNHBUDWNERJ-MRXNPFEDSA-N 462.629 5.705 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc3c(c2)CCCC3)c(Cl)c1 15248333 RVOJCYGUFSIBCR-UHFFFAOYSA-O 450.027 6.174 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2SCC#N)c(C)c1 21243902 GXAZBSUNJDLVMY-UHFFFAOYSA-N 499.665 5.821 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1[C@H]1COc2ccccc2O1 23517753 XVRMVLQHVBMEGO-HTAPYJJXSA-N 478.618 5.221 30 20 JKED Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1-c1ccccc1 24014460 RLBMFFPUBDMMTB-HTHJYTGDSA-N 463.607 5.247 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)c1C 28793859 YNKKPROZMQHMOS-UHFFFAOYSA-O 491.420 5.453 30 20 JKED COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1N1CCCCC1=O 32253533 OZQFTKHAWNAWSQ-UHFFFAOYSA-N 457.555 5.487 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 107834875 FDZLLPOCKHXLDG-QHCPKHFHSA-N 465.475 5.011 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 108881112 AJNRYWQWBOMJGR-QHCPKHFHSA-N 462.933 5.601 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccc(OC)cc2)no1 486261111 LLKCFFJEJHIMLY-UHFFFAOYSA-N 469.954 5.047 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)c3cccs3)c2)c1 490439090 YXIAVLFFPKENFA-UHFFFAOYSA-N 451.507 5.355 30 20 JKED C=CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491060532 KYOYBANEWOBFGZ-UHFFFAOYSA-N 499.595 5.169 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCc1ccccc1Sc1ccccc1 499563772 NOGMJPMJGVVFFC-UHFFFAOYSA-N 494.576 5.460 30 20 JKED CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(OCc2ccccc2C#N)cc1 505220539 SRXPJHFQOFEGAI-UHFFFAOYSA-N 495.501 5.645 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 508272090 GAYJCHJISXYCTL-QFQXNSOFSA-N 457.530 5.649 30 20 JKED CCCCN(C)CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 511566213 OFMWWKWNOCGLBP-XMMPIXPASA-N 453.030 5.971 30 20 JKED Cc1c(C#N)c(NC(=O)CCN(Cc2ccco2)Cc2cccs2)n(Cc2ccco2)c1C 514330120 VYAHFRWWOCKKGK-UHFFFAOYSA-N 462.575 5.303 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(Cl)s4)n3)n2)cc1 516713894 MKNUCXGPUXCUSD-CYBMUJFWSA-N 457.989 6.147 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 517466338 NXSZWPVHJJHBAJ-HNNXBMFYSA-N 461.509 5.087 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 518558812 HVAQWNOQSICVPB-UHFFFAOYSA-N 472.303 5.394 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccccc3SCCC#N)s2)cc1 518676635 KLXJHAQNEKYYQM-INIZCTEOSA-N 464.616 5.249 30 20 JKED CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1[N+](=O)[O-] 519053316 ACVNRNLDDIORIB-QHCPKHFHSA-N 488.500 5.463 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 519501617 KNXFQXQKMAJJPN-JOCHJYFZSA-N 455.558 5.801 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1Cl 520045514 MLMRRXFKYGPHBH-HSZRJFAPSA-N 464.997 5.252 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c(C(F)(F)F)c1 520102239 NAVQYSLIUXOJBZ-UHFFFAOYSA-N 467.856 5.005 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)cc1 520915230 IUSFMBHYNRDVGV-UHFFFAOYSA-N 486.547 5.556 30 20 JKED COc1ccc(C)cc1-n1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1 521324620 DBCKLZRZBCVTSA-CQSZACIVSA-N 450.470 5.081 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 521697114 NTBOLVGCXVQEMZ-UHFFFAOYSA-N 492.501 5.727 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 521769875 VWDSUZKGYUYZHQ-YLJYHZDGSA-N 458.649 5.029 30 20 JKED C[C@H](COc1ccc(F)cc1F)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523879876 HUZFDQTXOMRJIO-QGZVFWFLSA-N 453.464 5.155 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 524050999 JLLQFLSSCMANHD-DEOSSOPVSA-N 450.897 5.143 30 20 JKED CC1(C)CN(CC2CN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)c2cc(C3CC3)ccc21 564099818 BODMPYAKYAOAHR-UHFFFAOYSA-N 486.635 5.047 30 20 JKED N#C[C@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 590651097 HIDXLLRWNCFRTI-OAHLLOKOSA-N 497.420 5.951 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 593021593 JIMZYPVBQYWSLP-LPMFXHHGSA-N 481.383 6.111 30 20 JKED O=C(NCc1ccccc1Oc1cccc(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 594837258 SJCNEBQRLPWPHF-HUUCEWRRSA-N 464.381 5.890 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 595127234 KESIPIRXVQJWJG-GOSISDBHSA-N 461.930 5.823 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603622208 NQOKEBMNFDLBSC-UHFFFAOYSA-N 456.527 5.895 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccnc3Oc3cccc(F)c3)cn2)c1 603692453 WRAZRBOZXRZRRS-UHFFFAOYSA-N 455.449 5.394 30 20 JKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603962129 FEXYXMHXLUWTHJ-KKSFZXQISA-N 464.974 5.901 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)NC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)c1N 608924952 XNLKSZHNBVFKLH-UHFFFAOYSA-N 462.340 5.152 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OC(F)F)cc3OC(F)F)o2)cc1 609057435 OMHUYYKURUHZRR-UHFFFAOYSA-N 450.344 5.185 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccccc1Br 609078617 CWWIVFGLMSVBQF-UHFFFAOYSA-N 464.363 5.872 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)cc2Cl)c1 609079720 JMZZUBQFFHVCOV-HSZRJFAPSA-N 489.959 5.931 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 609376950 MABRGXVABMQUMC-CQSZACIVSA-N 460.386 6.471 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2)c1 609437008 JUSFXRGQSYMXEM-GJZGRUSLSA-N 457.374 5.945 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 622255338 NSAPGIFIFIOLBZ-ZDUSSCGKSA-N 453.495 5.710 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)cc1 725726655 URARRTUYJXQHFE-DEOSSOPVSA-N 477.358 5.113 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2cnn(CC)c2)s1 726116823 LVQJNRRDGHCAFE-QFIPXVFZSA-N 495.674 5.304 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C#N)c(Cl)c1 726409209 PLAVIVHPNQKRJC-LJQANCHMSA-N 473.385 5.320 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3cc(C)on3)C2=O)c1 726420247 HWWHHDSTTVOLDQ-GHOODTAESA-N 482.631 5.251 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2sc3ccccc3c2C)cc1 726571344 UNXJRRHJRVTOIE-UHFFFAOYSA-O 477.034 6.654 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c(F)cccc1F 727626588 DECMYEPMJXQCLT-MAUKXSAKSA-N 459.905 5.185 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1cccnc1 728420946 KWLBMTATYLVCHV-WMZHIEFXSA-N 483.597 5.292 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccccn2)cc1 728423182 KFYDCYKTOTZDCF-DEOSSOPVSA-N 483.597 5.237 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2ccccc2c1 728780133 OCJLHKDDFQRVPR-XMMPIXPASA-N 481.581 5.366 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 729070456 VTWLWXORLZDUMT-FQEVSTJZSA-N 469.324 5.542 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(C)C)cc1 729631665 KWOQPANDEPPQFL-DEOSSOPVSA-N 488.613 5.338 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(Cl)c1 730509723 LYFCATLSRHMBJZ-KRWDZBQOSA-N 499.992 5.261 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730716218 QBZLWOGGVNUMPD-NRFANRHFSA-N 498.992 5.060 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730942168 HDXRJILBBQEHCB-FDDCHVKYSA-N 474.586 5.120 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N([C@@H](C)c2cccnc2)C1=O 730943482 DIXXLXXZWGZWPG-YADARESESA-N 488.613 5.429 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 730943815 KYCGAPNKRFECJG-YCRPNKLZSA-N 499.423 6.110 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cccc(OC(F)(F)F)c2)cs1)c1ccc(F)cc1F 730949517 XOARKNASOKBMQN-VURMDHGXSA-N 468.403 5.901 30 20 JKED COc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1 731070772 RPQSJJKGCOCXQZ-HNNXBMFYSA-N 467.572 5.008 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccccc1)c1cccs1 731311511 DINJCPGWNCJOLR-XIFYKKDGSA-N 479.627 5.086 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCCC#N)c1 731312837 QEMXWSFFBNGVPF-JOCHJYFZSA-N 464.591 5.170 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(C3CCCC3)C2=O)c(OC)c1 743524932 MNWFTLZVVMOWTN-JOCHJYFZSA-N 485.581 5.054 30 20 JKED N#CC1CCN(Cn2nc(-c3ccc(F)cc3)n(-c3ccc(SC(F)F)cc3)c2=S)CC1 747079025 QNCGIJHTFLKJMM-UHFFFAOYSA-N 475.565 5.717 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)cc1 747599234 IESOKVYUJLJFNQ-OAQYLSRUSA-N 464.616 5.229 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 749337080 ABHDYLAFSCCALS-OAQYLSRUSA-N 455.539 5.712 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)c3cc(C)n(CCC4=CCCCC4)c3C)cnc21 791560064 AHESMNWIBNQDJC-UHFFFAOYSA-N 468.648 5.367 30 20 JKED COc1ccc(-c2nc(SCc3cc4ccc(SC)cc4nc3Cl)nc(O)c2C#N)cc1 824960472 WIWHBQCPAZQIBU-UHFFFAOYSA-N 481.002 5.945 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 837785761 ZZNGQBKNUABSQZ-QVKFZJNVSA-N 482.968 5.596 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 864000404 VUSINIVFYRKMJL-VEILYXNESA-N 479.446 5.149 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1ccc(-c2ccccc2Cl)s1 874093085 LAJOOCQXWHIHJK-UHFFFAOYSA-N 458.952 5.287 30 20 JKED Cc1cc(S[C@H](C)C(=O)OCc2nc(C)c3ccccc3n2)n2c(nc3ccccc32)c1C#N 913258503 WRBQUNRBFLHFDJ-QGZVFWFLSA-N 467.554 5.143 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2ccc(-c3csc(C)n3)cc2)C1=O 914548304 FBXROGXAOSROQO-NRFANRHFSA-N 499.061 5.082 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)Cc1ccco1 914690180 MCICLKDELKHLJW-OPAMFIHVSA-N 481.549 5.019 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915102026 PVHVOFYAAQQHOY-GOSISDBHSA-N 490.938 5.970 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCCC5)c2)c1 915283948 OAYCQPHUDHDCAY-UHFFFAOYSA-N 484.581 5.298 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 915350207 LPQZVCRVYKTWJP-XMMPIXPASA-N 468.557 5.233 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 915649665 DEIUBHLBAJERJZ-JOCHJYFZSA-N 496.514 5.527 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 916216824 ZPFMCKATWSGSPC-NRFANRHFSA-N 474.026 5.344 30 20 JKED CC(=O)N(c1nc(C=NNC(=S)Nc2cccc(Cl)c2)cs1)c1ccc(F)cc1F 916285435 KMCLTFIDPSXJKB-UHFFFAOYSA-N 465.938 5.080 30 20 JKED N#C[C@H](C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)c1ccccc1 916622931 RZXMSSFXBLPJOZ-FQEVSTJZSA-N 459.958 5.067 30 20 JKED CCOC(=O)C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(OC)c1 916680073 DHCLQUQDEWUIRT-JWQCQUIFSA-N 457.530 5.167 30 20 JKED COc1cc(/C=C/C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1OCc1c(C)noc1C 916849062 OHIREVGAMLBESQ-NBILRRPASA-N 453.498 5.317 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cnn1-c1cccc(C(F)(F)F)c1 916918116 MJGCTDMOXUWXFH-FQEVSTJZSA-N 462.431 5.314 30 20 JKED CSc1cccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c1 916976121 KKUHDTCMXKWGQF-DNVCBOLYSA-N 468.003 5.415 30 20 JKED C=CCOc1ccc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 916977200 MQLDULVJXCDBKZ-KZIVNFMESA-N 450.947 5.927 30 20 JKED COc1ccc2c(ccn2CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916996127 GIIWFUJGRLIAHS-QGZVFWFLSA-N 456.354 5.957 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997820 YOAOMDXXBBFJOO-PXNSSMCTSA-N 470.381 5.598 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2)cs1 917427745 IXXIQTQQRUYRBQ-SJLPKXTDSA-N 482.968 5.723 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(C(=O)N(C)CCCC)CC2)c1=S 917480940 QZVCHKFOIHUPKP-UHFFFAOYSA-N 483.726 5.493 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(OC)c2)cc1 917612267 NAFPGTIIVPWSBI-UHFFFAOYSA-O 458.607 6.081 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)cc1 917683085 RGNLRZBKDNFFSS-SONWIMMPSA-N 490.673 5.199 30 20 JKED Cc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1C#N 917699050 AYFYPWFJIOPWSZ-VWLOTQADSA-N 497.624 5.093 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1F 917702931 XICYETIPLGQNOG-OFNKIYASSA-N 477.561 5.118 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc2Cl)cc1 918052717 KFJDERTVZRVCHW-VWLOTQADSA-N 461.949 5.981 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2cccc(C)n2)ccc1Cl 918344390 UQOXRLUPDUCNIX-UHFFFAOYSA-N 490.412 5.008 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 919636960 CMAWRZYACGDXLN-IBGZPJMESA-N 455.725 5.104 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 920106702 YBHCLNDQGNKAGV-QHCPKHFHSA-N 499.530 5.735 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccc(Cl)s2)n1 920109351 DJPKNBHITTURJJ-VIFPVBQESA-N 456.763 5.793 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CCC3)n1 920766863 LRVAKQYEVNJBET-NYXAKURHSA-N 499.617 5.971 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)o1 920774165 VRMIFZCXLJCJKJ-FQEVSTJZSA-N 465.347 5.340 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 920804830 ZZEOGVMXFDIRBP-VJIACCKLSA-N 477.536 5.217 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 920869079 MYYMUQBWJJOJRD-IFXJQAMLSA-N 480.417 5.236 30 20 JKED N#C[C@H](COC(=O)Cc1csc(-c2cccc(Br)c2)n1)Cc1ccc(F)cc1 920879928 ODFHZQPDBRRDAN-OAHLLOKOSA-N 459.340 5.180 30 20 JKED Oc1nc(CN[C@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)nc2cc(C(F)(F)F)ccc12 1171472352 ZSZOEDLCMVDJCD-QGZVFWFLSA-N 458.337 5.368 30 20 JKED C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C2)C1 1780207876 UXXPHNJQGZKPOZ-PMERELPUSA-N 485.628 5.026 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC(C)C)c(Cl)c2)C1 1780859418 ZCJZMWRXOBGVJM-YEEURNOCSA-N 489.056 5.023 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)CCOc4ccc(Br)cc4)cc3)CCC2)CCC1 1785748195 YTXRNHQUTUHQHG-UHFFFAOYSA-N 496.405 5.046 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1786373859 PIRFDMDMJGMEHI-LJQANCHMSA-N 483.568 5.767 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cn3)cc2)CCC1 1786876508 QCUDPWGCSVKRBR-UHFFFAOYSA-N 471.523 5.361 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1 1787657502 RLAKSPAWIUHEPV-FQEVSTJZSA-N 457.615 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](N)c3cccc(Cl)c3)CCC2)cc1 1789451850 UOKORJKUMXQZEP-PKTZIBPZSA-N 451.998 5.242 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccc(Cl)cc5)nn4C)cc3)CCC2)C1 1789841585 ABKVEGZEJTXZSF-UHFFFAOYSA-N 474.992 5.454 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5[nH]ccc45)CCC3)cc2)c1Cl 1790081903 YPRWAXYYQOBQAT-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)c(F)cc4OC)cc3)CCC2)C1 1790762105 NSUGUAWPXFPHER-UHFFFAOYSA-N 487.369 5.311 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)c(Cl)c4)CCC3)cc2)c1 1790765284 YYGUSGVEXCLRCU-UHFFFAOYSA-N 483.330 5.461 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5C=CS[C@@H]45)cc3)CCC2)cc(C(F)(F)F)c1 1791090388 FBMZERPITHYGLO-PWRODBHTSA-N 483.515 5.200 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@H](c3ccccc3)N(CC)CC)cc2)CCC1 1791125210 ARRGODNKGDFAPP-VWLOTQADSA-N 465.663 5.123 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3csc(-c4cccnc4)n3)CCC2)cc1 1791299350 CFEOCWGPYQLHFW-UHFFFAOYSA-N 468.529 5.164 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Cl)cc3OC)CCC2)cc1 1791300205 IPTQDGRHAFSPOA-UHFFFAOYSA-N 462.924 5.237 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CC3(F)F)CCC2)cc1)NC(=O)OC(C)(C)C 1792206080 INRZJDYJMZBAQJ-DVECYGJZSA-N 491.579 5.025 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3F)CCC2)cc1 1792236679 OXIDOAGNTFOKRM-UHFFFAOYSA-N 477.923 5.177 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)c1 1792378609 YFCOQQFQTYTCAK-VWLOTQADSA-N 453.464 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)C2 1798590826 PDLOLRPVUOPNBB-KIHHCIJBSA-N 497.680 5.191 30 20 JKED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)c1 1799280493 CAACOYNTPXZWHA-WKCHPHFGSA-N 498.549 5.518 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 1799397588 MDCOSUNZRAHZAP-OWLYRPNTSA-N 494.945 5.009 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)cc1 1799666902 FOIBZNNBOHELFP-KOUNCHBCSA-N 480.593 5.334 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](F)c2cccc(F)c2)c1 1800279760 UKJCFWYFXOBZNL-SFIUMABJSA-N 464.556 5.330 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1800494304 JIJXVCXTKNFEGI-RPOFPTLYSA-N 484.596 5.048 30 20 JKED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800812528 PBEBNTZRRXCWHI-AYWYSENESA-N 460.599 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(Cl)cc2Cl)c1 1801555556 PPFRMDAIGJMFFO-LTFXSFKNSA-N 484.427 5.505 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)[C@H]2c2cccnc2)C1 1802417455 MGMOVSBZSWMDDG-LVXARBLLSA-N 480.568 5.109 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1802501321 LHMKRZQSNQKNQN-URXFXBBRSA-N 480.052 5.465 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)oc2ccccc12 1802963341 OAFFBDMYYLGKFZ-CUNXSJBXSA-N 497.982 5.161 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1803090955 JUCZPWAMOBOKLT-YKSBVNFPSA-N 475.614 5.090 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803227518 GUPUDYZFVFWKAK-PMVMPFDFSA-N 489.994 5.392 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1803565101 DLIJXVAZYZVIGP-SUYBVONHSA-N 499.655 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(C)cs2)[C@@H]1c1cccnc1 1804528499 ZKLUIELQFWLJCG-URXFXBBRSA-N 453.652 5.083 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OCC4CC4)cc3F)CC2)C1 1804866522 DMZZEJCWLOXCND-UHFFFAOYSA-N 470.629 5.452 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)c3cc4ccoc4s3)CC2)C1 1805333134 BIJFRFJCJWPWIX-UHFFFAOYSA-N 466.990 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C(C)C)nn3ccccc23)[C@H]1c1cccnc1 1807920473 KIECMNXSQLAEOI-ATIYNZHBSA-N 487.648 5.165 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cc(C)oc3C(F)(F)F)C2)CC1 1808400923 PKLLZKHOZPMSMH-UHFFFAOYSA-N 452.517 5.220 30 20 JKED Cc1ccoc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1808500529 SDEVXTYENSMRLF-WUFINQPMSA-N 489.575 5.016 30 20 JKED O=C(CCC(F)(F)F)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)C1 1809487079 QLZIWSFPNSGKLT-UHFFFAOYSA-N 468.413 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1809754686 DKHVJYFOIXSAID-YYDVJCTNSA-N 465.644 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1810172015 HQEOSXNSNFIPLL-SBHAEUEKSA-N 475.511 5.090 30 20 JKED C[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810277102 MFNHOKLBVIVGHV-RXWNPYQGSA-N 489.736 5.017 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1)c1ccccc1 1810443203 FFEXOXPABNEUAM-USZFVNFHSA-N 497.620 5.406 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)[C@@H]1c1cccnc1 1810501529 CINSWDZBYQVAMX-OYUWMTPXSA-N 490.692 5.163 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1811402027 BYZFNBHOWYYFPD-BKMJKUGQSA-N 499.577 6.044 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c1Cl 1811423493 AOMXQOGLVFWRNU-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1812591355 FBXVYGRXPSQFLN-ZWWHJUMASA-N 494.639 5.741 30 20 JKED CC#C[C@H](CC(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1)c1ccc(O)cc1 1813124444 WVXGHWYHNKQQKJ-FXZLENHOSA-N 499.655 5.127 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@@H]1c1cccnc1 1813222732 KSAWBDJGZMGNEP-LBDANMEMSA-N 459.634 5.111 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCCC[C@@H]1c1cc(NC(=O)C23CC(F)(C2)C3)n[nH]1 1815288952 VWSSMVWUCMYTSE-DBUALKDLSA-N 482.559 5.008 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)[nH]n1 1815659221 MRKNLLVBJQVHQC-QGZVFWFLSA-N 467.422 5.250 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1816463031 RJVIWQFYRGPCAE-QFIPXVFZSA-N 473.577 5.294 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)oc3cc(O)ccc23)n[nH]1 1818659303 DCNWDPYACHQRSJ-HXUWFJFHSA-N 464.566 5.468 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3nc(C)ccc3c2)n[nH]1 1818672228 HPTQXJOUEPGMQV-HSZRJFAPSA-N 459.594 5.565 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4[nH]ccc4s3)n[nH]2)c1 1818791555 NFBXPRYOOXFPET-FOIQADDNSA-N 472.574 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)[nH]n1 1819555842 FNNOMOYVAPQZHT-HXUWFJFHSA-N 473.017 5.299 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1cnc3ccccc3c1)CC2 1819594457 MCQSXHKSZATATP-SFTDATJTSA-N 474.630 5.005 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ncccc3C(F)(F)F)n[nH]2)c1 1819901730 AQRFZYUPNCAFMG-FOIQADDNSA-N 496.493 5.070 30 20 JKED COc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)cc2ccccc2c1Cl 1820235458 JDLUBQOBALMBJD-LJQANCHMSA-N 479.968 5.081 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)c(C#N)c2)n[nH]1 1820913709 RMBSILFICYNQTK-JOCHJYFZSA-N 491.567 5.168 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821180396 TWKJJEKXJLLGGQ-OXJNMPFZSA-N 479.631 5.024 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821202447 RXGKEVHPENJUPW-SFHVURJKSA-N 483.371 5.144 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)[nH]n2)c(Cl)c1 1821277056 CZXZDCBKAXCVDJ-LJQANCHMSA-N 478.965 5.097 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C)ccc3NC(=O)OC(C)(C)C)n[nH]2)C1 1821357368 GUCSERWGUSYGHA-JOCHJYFZSA-N 493.608 5.337 30 20 JKED CC(C)(C)CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2ccccc2C#N)[nH]n1 1822116952 NNICJRGBIKIJPI-JOCHJYFZSA-N 479.625 5.349 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[nH]n1 1822394785 XREVRPNSPBXDJS-DYESRHJHSA-N 474.527 5.114 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCCCCCC(=O)OC)[nH]n1 1822397197 JBFZQDOIOVLIAQ-HSZRJFAPSA-N 486.657 5.279 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216406 TXWVZFYDMXZJRQ-JTSKRJEESA-N 459.525 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)[nH]n2)c1 1823216712 MZOGOQRMJFRQPK-CPJSRVTESA-N 481.600 5.465 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1)NC(=O)OC(C)(C)C 1823347274 XXFJYUANLXPDRQ-LPOPLRKUSA-N 499.656 5.008 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1823682728 BCAPLLXNTGZQLN-IDRNJTBQSA-N 495.623 5.570 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(-c5ccccc5)ccn4n3)CC2)C1 1823700064 JBXVHRJBIICMER-MUUNZHRXSA-N 482.628 5.201 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2OCC2CC2)CC1 1823750527 NKANEPROXVWBQJ-DEOSSOPVSA-N 467.654 5.096 30 20 JKED O=C(c1[nH]c2ccoc2c1-c1ccccc1)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824411387 NXIDLJAJKFHGSG-XMMPIXPASA-N 469.585 5.075 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 1827681837 SNXLULWTJUCAML-NHHGNSOHSA-N 499.076 5.564 30 20 JKED Cn1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc2ccccc21 1827994439 FZQWWUWBHLSNFH-XMMPIXPASA-N 489.019 5.250 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828150389 PZOLVINQNYTTEO-YADHBBJMSA-N 462.059 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 1828826605 IWVXKPFJOBVMEP-YADHBBJMSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1828830309 SSVVZZLXZOKAPM-RPWUZVMVSA-N 468.638 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1829068651 JGTDJAJXVJOFKQ-XMMPIXPASA-N 450.623 5.041 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830275166 UTQBGEYYYIAKIF-RCZVLFRGSA-N 480.052 5.274 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)c1 1830534616 YIRJILKGASQGKF-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578971 PCBZCGLBJHGJRF-NRFANRHFSA-N 468.947 5.396 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830721538 IFMNTVRDPMHOLP-RUZDIDTESA-N 496.076 5.546 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)Sc3cccs3)CC2)c1 1830769472 QDRISHRGBZIBBH-WMZHIEFXSA-N 481.687 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1831015718 XGJIOCRLKBKCNH-PKTZIBPZSA-N 483.056 5.298 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 1831367683 MJWLVAXCONXNHM-HRAATJIYSA-N 465.407 5.034 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832631281 BWBQIPIWOUFTBA-XCTIFMKPSA-N 473.617 5.552 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@@H](C)Oc3ccccc3)CC2)c1 1832633205 GRHWTTGVPRPNOX-MVOZIGHISA-N 487.644 5.405 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)c1 1832634088 HOWBAQQVCHNOOL-JHOBJCJYSA-N 493.651 5.943 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1 1847265409 KAZSJJLQIFZWFO-VXKWHMMOSA-N 485.550 5.575 30 20 JKED Cc1oc2cc(OS(=O)(=O)Cc3ccc(C#N)cc3)ccc2c(=O)c1-c1ccccc1Cl 14099906 LCXSKEOVNBOJDA-UHFFFAOYSA-N 465.914 5.202 30 20 JKED C=CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1nc(-c2ccccc2)cs1 14723942 RLFMCPPIABDUNA-UHFFFAOYSA-N 481.643 5.126 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2sc3c(c2c1=O)CCCC3 14758061 NJKLVBGFOPZNPT-OAHLLOKOSA-N 469.632 5.034 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nc2ccccc2c1=O 15231023 DKJLHSSNWTUWIA-UHFFFAOYSA-N 476.627 5.578 30 20 JKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)S1 15231728 URZDOWQRFKIZND-IBGZPJMESA-N 459.999 5.030 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C/c2ccc3ccccc3n2)n(C2CCCCC2)c1C 16254473 TUHYXGBTNGZDME-CCEZHUSRSA-N 456.546 5.225 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 16506748 BTRRSFXADIJIKU-UHFFFAOYSA-N 455.627 5.766 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 16862809 GIMDRGNGXIAAIC-ZDUSSCGKSA-N 458.374 5.429 30 20 JKED CCOc1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2cccc(C#N)c2)cc1 23027205 XRCOOEKVFMZDRQ-UHFFFAOYSA-N 493.585 5.032 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1Cc1ccccc1 23602821 DGLIVSIKZMSVHJ-IBGZPJMESA-N 475.643 5.145 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)c1nc(-c2ccccc2)cs1 26016740 KZPQNLFSMLLZML-IBGZPJMESA-N 499.646 6.088 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1)c1ccc(F)cc1 69611166 CRBPDKIZYMIMOP-UHFFFAOYSA-N 470.344 6.368 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 69643864 VCMDZAJKPSMAEA-UHFFFAOYSA-N 486.343 6.248 30 20 JKED CCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)[C@H](C)c1ccc(C#N)cc1 302957548 PKJSJBGEGXQHKF-MRXNPFEDSA-N 453.336 5.716 30 20 JKED COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1ccc(Cl)cc1 303291067 BCSKAHUUWGWBJR-QGZVFWFLSA-N 466.990 6.574 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc3ccccc23)cc1Cl 410397365 HPYKJDQALHBHND-XMMPIXPASA-N 453.929 5.404 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)s2)c(C(F)(F)F)c1 487325225 VOMYHQBUSFLMLD-IBGZPJMESA-N 487.503 5.434 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 488379715 ZWBCJBFSVAUJCK-KRWDZBQOSA-N 473.602 5.339 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 489001494 IQPUUQBDNIDQBX-UHFFFAOYSA-N 460.887 5.148 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 500375962 XZABTJIJPXWDLA-UHFFFAOYSA-N 481.343 5.283 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1nc(C(=O)OCC)cs1 501945898 PBGMMSDAKVAECQ-UHFFFAOYSA-N 468.387 5.583 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccccc1OCc1ccccc1 503187965 GDDZNOPRQXKAMV-UHFFFAOYSA-N 465.509 5.651 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 508215106 HYKXCAQYIZSRIE-UHFFFAOYSA-N 493.489 5.183 30 20 JKED CC(C)c1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1-c1ccc(C(F)(F)F)cn1 509145152 ZGMYJFOTECCMGD-UHFFFAOYSA-N 496.518 5.581 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1 511567518 ZSWRRGBFPSTBKY-UHFFFAOYSA-N 455.539 6.255 30 20 JKED CC(C)Oc1cc(Br)ccc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 512194045 JZYHVNHAAJEOTJ-UHFFFAOYSA-N 455.274 5.313 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(C(F)(F)F)cn1 513177336 WEKJCSRRLNEXJN-MRXNPFEDSA-N 451.326 5.797 30 20 JKED N#C[C@H](C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc(C(F)(F)F)cn1 513183106 ZIQNJMCAKVEXLF-IBGZPJMESA-N 452.461 5.530 30 20 JKED COc1ccc(-n2c(SCCC(=O)Nc3ccccc3C#N)nnc2-c2ccccc2Cl)cc1 514892295 SYGRLVVFAIECQC-UHFFFAOYSA-N 489.988 5.589 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 515649804 ZTDUPGHCHWBHFQ-SZPZYZBQSA-N 469.585 5.193 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1cccc(C(F)(F)F)c1)[C@@H](C)C1CC1 515707051 JBRRFULFOFVBGB-HNNXBMFYSA-N 455.484 5.001 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 516036849 DVABWXDQVKMHPX-UHFFFAOYSA-N 494.473 5.203 30 20 JKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1cccs1 517319816 VEFORWBXAZNUPW-JOCHJYFZSA-N 462.575 5.348 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 518165511 HIJJVXDQXBOAIA-UZLBHIALSA-N 461.006 5.689 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1)c1ccccc1 518481123 LGYLDLKCHVQNOG-HXUWFJFHSA-N 482.565 5.042 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 518680935 FWCGYHPOBVGJKP-KRWDZBQOSA-N 457.669 5.042 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1 519196403 ARVCTPTWMKQIAG-HXUWFJFHSA-N 456.546 5.270 30 20 JKED C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 520408659 IZNZFSXFNOUUFP-LBPRGKRZSA-N 453.907 5.353 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccc(Cl)cc1 523639299 HWBVUDCDQTZMTL-NRFANRHFSA-N 463.921 5.219 30 20 JKED COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 524200250 MPTOJTLUHPXLJF-QFIPXVFZSA-N 490.991 5.394 30 20 JKED CC(C)CN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(C#N)cc1 603529024 OKINKIKSJQLBLD-RUZDIDTESA-N 459.977 5.762 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1C 603900892 AZQQUVFGWOJCPY-UHFFFAOYSA-N 467.598 5.590 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccccc2)cc1 604463846 PYWPAIYDTDESGL-HHHXNRCGSA-N 477.520 5.203 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN2CCN(Cc3ccc(C#N)cc3)CC2)cs1 608923109 ZJUNIEADLBEPSF-UHFFFAOYSA-N 499.562 5.036 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cc2Cl)c1 609063196 PAEIIUYMXFCHGB-UHFFFAOYSA-N 465.987 6.157 30 20 JKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609123741 QHXJVBJXCPTIQK-YIXXDRMTSA-N 473.548 5.908 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)cc1 609400114 KUWGOLKVFNRUQQ-AXHZCLLHSA-N 451.636 5.904 30 20 JKED CC(C)n1ncc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cnc21 613346469 KNBHJCFIZYBLNB-MRXNPFEDSA-N 456.358 5.933 30 20 JKED N#C[C@@H](C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1nc2cc(Cl)ccc2s1 613403613 RLPXVJCYSCKCQX-IBGZPJMESA-N 471.925 5.236 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1 615971875 UEXQHQDRSSGXLM-UHFFFAOYSA-N 461.566 5.001 30 20 JKED Cc1cc(C)c(C(=O)CCCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)c1 616990143 QIIMIIBJUYEHGC-UHFFFAOYSA-N 464.616 5.619 30 20 JKED O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619946060 IEKRKOGJFIXNAA-ZIAGYGMSSA-N 479.396 5.722 30 20 JKED O=C(NCCCc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620148473 CJGADXNEHFSBRT-OKILXGFUSA-N 450.345 5.410 30 20 JKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 622478199 XRCLAZVLWMHCFU-RHSMWYFYSA-N 463.397 5.266 30 20 JKED CC[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1OC(F)F 642911877 CXXYNKZGLOIUQO-MJVIPROJSA-N 462.381 5.948 30 20 JKED C=CCN(C(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 684073332 ATRXZXGFBAWRMQ-OAHLLOKOSA-N 493.075 5.567 30 20 JKED CCOC(=O)N(C)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 726075176 IHASSTXBLVMQAB-UHFFFAOYSA-N 460.509 5.524 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC3CCC3)C2=O)c1 726404987 BAOURVIFNBVFKV-JOCHJYFZSA-N 481.021 5.589 30 20 JKED CNC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2cccc(COc3ccccc3)c2)C1=O 726418520 DNFXHKKOLUPXTI-VAPRLZSCSA-N 493.654 5.024 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\[C@H](C)c1cccs1 726421647 RHPWDJIGTBQZOI-VEHXVYENSA-N 496.427 5.186 30 20 JKED C=CCOc1ccccc1CN(C(=S)N[C@@H](C)c1cccs1)c1ccc2c(c1)OCCO2 726446371 ZXHPREFJCRXBSN-SFHVURJKSA-N 466.628 5.726 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)n(C)c2C)cc1 726570556 GARULXPHMDUDSB-UHFFFAOYSA-O 452.003 5.340 30 20 JKED CN1C/C(=C/c2cccc(OCCCC#N)c2)C(=O)/C(=C\c2cccc(OCCCC#N)c2)C1 726740059 QMTLKAQMMJLDJW-YFJQDTPYSA-N 455.558 5.033 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 726942218 UFHAIGPMZNVUAH-UHFFFAOYSA-N 481.474 5.592 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccccc2)cc1Cl 726962207 JJHQUVINIHUPMF-UHFFFAOYSA-O 497.040 5.756 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C\c1cc2ccccc2nc1N1CCOCC1 727267634 MKQVZSHKDGZNPN-FLIBITNWSA-N 459.546 5.539 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2C(F)(F)F)C[C@@H](C)O1 728011965 PEMHRYJNXUREBD-CALCHBBNSA-N 499.489 5.615 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(CCCCC#N)C1=O 728779838 MLDXGKHJKJOBHQ-HSZRJFAPSA-N 478.618 5.473 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCCCC#N)C2=O)cc1 728780015 MOVSDDJQLUPGSH-QHCPKHFHSA-N 460.603 5.138 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CCCCC#N 728780410 SJNBMQGXULKFOK-DEOSSOPVSA-N 486.597 5.503 30 20 JKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(OCC#N)cc2)cc1 729241321 UURVDIGVTYTPIT-UHFFFAOYSA-N 456.571 5.451 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)cc1 729635050 ZTXWAEPLTGSGOY-QHCPKHFHSA-N 458.587 5.113 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1ccc(Cl)c(Cl)c1 729668484 LKMSWQXTVJJJNI-UHFFFAOYSA-O 478.377 5.274 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(C2CCC2)C1=O)Nc1ccccc1 730461742 RTANKQRPBKURAO-GOSISDBHSA-N 463.481 5.098 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccc(Cl)s2)C1=O)Nc1cnccn1 730717311 JJNPFJJVVAAART-OAHLLOKOSA-N 492.413 5.005 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](C)c2c(Cl)cccc2Cl)nc1C 731224798 GNZZXUCAMYXIRA-VIFPVBQESA-N 454.408 5.234 30 20 JKED COc1ccc(N2C(=O)/C(=C\Nc3ccccc3S[C@H](C)CC#N)c3ccccc3C2=O)cc1OC 731338982 MTYUDWPUAPHCGK-LFTLAFEGSA-N 499.592 5.738 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H](c3nc4ccccc4s3)C2)c1=S 732468452 RBEGGPCPZNZDCO-FQEVSTJZSA-N 482.723 5.075 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cc2s1 744936949 YWUFFOBISBXCES-LBPRGKRZSA-N 477.011 5.136 30 20 JKED CCOc1c(Br)cc(/C=C(\C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc1OC 747127789 KZDCKRNZRZOBHT-UNOMPAQXSA-N 481.346 5.156 30 20 JKED COc1ccc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc1OCCCC#N 747361166 DJHLGLBQMJEERX-UYRXBGFRSA-N 477.973 6.492 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)c(Cl)c2)n1 748035722 HZTMKOIGMAMINJ-FQEVSTJZSA-N 498.967 5.043 30 20 JKED C=CCOc1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OC 769674394 VKQVFGLXLFQJQG-FWPCIQOSSA-N 484.763 5.804 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 837771791 JUVHEIHJPCWKFQ-SZNDQCEHSA-N 484.503 5.220 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1CC(F)(F)F 838536755 WHJHQHKOEVGQKD-QGZVFWFLSA-N 485.915 5.180 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccco3)C2=O)cc1 838538962 UYVAQHQZFCOQQR-FQEVSTJZSA-N 455.486 5.027 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)CC1 914957024 SMSIWVWVUUGQEM-UHFFFAOYSA-N 478.892 5.074 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915085230 IXNPHUDOHITTFU-QHCPKHFHSA-N 457.530 6.077 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(C3CCCC3)C2=O)c1 916207871 NRVOZBIZHXZGEO-QHCPKHFHSA-N 481.618 5.224 30 20 JKED N#C[C@@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916654044 UXMFWFZFHAXHGW-NRFANRHFSA-N 485.565 5.110 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cc1 916710612 MASROXGXAUZTNY-OSQOMCJFSA-N 482.650 5.166 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc2ccccc2n1 916848625 FTYJNTLIRBRGSN-QGZVFWFLSA-N 458.871 5.395 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916915265 BCPUHHZBCNHSIS-OAQYLSRUSA-N 475.426 6.007 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916916669 ZIQMRNMRHXZCID-JOCHJYFZSA-N 464.550 5.569 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916916973 CPLQXVVRKYJYSK-QGZVFWFLSA-N 450.338 5.839 30 20 JKED CC[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1)n1nnc(-c2ccc(Cl)cc2)n1 916975320 XQLREOFKYFARDU-QUCCMNQESA-N 462.966 5.253 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Br 916975789 FLQUBGXXMRXTTC-MRXNPFEDSA-N 475.795 6.044 30 20 JKED N#C[C@@H](C(=O)c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995621 AAVTYAVUHXPFAZ-INIZCTEOSA-N 458.326 5.564 30 20 JKED CC(C)(C)C(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995795 HYVRJCMUBMBVMX-PBHICJAKSA-N 450.391 5.330 30 20 JKED COc1ccc(SCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997268 UQZRYUXIJLIMLD-KRWDZBQOSA-N 463.411 6.484 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nc(-c2ccccc2)cs1 917026637 JYXQTEGZRZYENH-IEBWSBKVSA-N 469.488 5.054 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)cs1 917560070 GLDDNVCCCBKOTP-RAXLEYEMSA-N 482.993 5.907 30 20 JKED CCCOc1ccc(CN2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(SC(F)F)cc2)cc1 917653607 WMMIOAQQZPMPFI-LJQANCHMSA-N 493.601 5.058 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cccc(C)n3)C2=O)cc1 917678690 AFBPSAGNSAXEIX-JOCHJYFZSA-N 479.005 5.512 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3C)C2=O)cc1 917702173 RLTFECATRVNMHT-VWLOTQADSA-N 496.592 5.230 30 20 JKED Cc1nc(SCC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c(C#N)c(C)c1C 917807762 YQJKELVBEORAAP-UHFFFAOYSA-N 450.608 5.014 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](CCc2ccccc2)c2ccccc2)cc1 918445390 GBLBJVMNBDFFTC-FQLXRVMXSA-N 473.576 5.771 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 919666656 LOAUGCYICNVAFE-KRWDZBQOSA-N 465.849 5.010 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccn2)ccc1Cl 919828027 TVAPYVSHYCSWSD-HSZRJFAPSA-N 499.995 5.233 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1 919904319 GRLBBQCJVZXGLZ-NRFANRHFSA-N 485.385 6.176 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920140390 FQQFPSQVQCTZMA-HXUWFJFHSA-N 484.610 5.156 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](C)c1cc2ccccc2o1 920195824 UTXBDZOFAFIVPN-NLFFAJNJSA-N 465.553 6.027 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(C[C@H]2CCCO[C@H]2c2ccccc2)C1=O 920354038 YGRBKNHEXFWUEC-VTZPFEBOSA-N 479.646 5.046 30 20 JKED CCOC(=O)N(C)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 920745543 XRXSUFDRAACXLZ-UHFFFAOYSA-N 488.569 5.134 30 20 JKED C[C@H](COCC(F)(F)F)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 921255039 WPPUZKRZOHOOHS-KDOFPFPSSA-N 499.942 5.268 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(OCC(F)(F)F)cc2)c1 921258387 FGNLVAQFLKVZFP-UHFFFAOYSA-N 464.513 5.401 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CCO2)C1 1779244441 QVAFVVCAPXSJPZ-SVEHJYQDSA-N 496.598 5.321 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1sc3ccccc3c1Cl)C2 1779271060 MGBGSAJKQXZVSE-KAWPREARSA-N 487.065 5.451 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)cc2)CCC1 1787036919 AUOVJIVCHAZQCV-RUZDIDTESA-N 487.600 5.011 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H](O)c4ccccc4)cc3)CCC2)cc(C(F)(F)F)c1 1787860590 QFWMIDRKTSZXJQ-HSZRJFAPSA-N 493.485 5.058 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4N)cc3)CCC2)c1Cl 1788073758 BRJQHXCKTFCETI-NTEUORMPSA-N 470.960 5.255 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(C)noc3-c3ccccc3)cc2)CCC1 1788670325 LVRKUZIOGKUMEX-UHFFFAOYSA-N 473.573 5.381 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5n4)cc3)CCC2)c1 1788963501 PAXDEAOMIGDFIP-IBGZPJMESA-N 475.552 5.318 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nc(C)ccc5c4)cc3)CCC2)c1 1789033308 VGYRVQYYTCIYNV-UHFFFAOYSA-N 490.563 5.485 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)COC5)cc3)CCC2)cc1C#N 1789037888 BSNKLHVXQLSBHV-UHFFFAOYSA-N 495.579 5.437 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789167782 PTIUBKPTVWRRAG-RTWAWAEBSA-N 497.680 5.616 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)cc3)CCC2)cc1 1789528154 HPDYSRYKAGZIFK-PVHODMMVSA-N 479.605 5.123 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)cc3)CCC2)c1 1789531063 BHLJEZIMDNRFIJ-SDHOMARFSA-N 483.568 5.333 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CCC1 1789770839 HUPJGXHYGBFHJU-UHFFFAOYSA-N 465.575 5.134 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4csc(C(F)(F)F)n4)cc3)CCC2)c1 1789883027 QYJJRTULXMPWTL-UHFFFAOYSA-N 470.476 5.095 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4[nH]c5ccoc5c4-c4ccccc4)cc3)CCC2)c1 1789995647 KBSPTDFETCUHKJ-UHFFFAOYSA-N 489.535 5.689 30 20 JKED Cc1nc2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)ccc2s1 1790290269 PMZKBNOPYUHXHS-UHFFFAOYSA-N 466.566 5.538 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)CCC3)cc2)ccc1F 1790520272 KYSANYVUVMVDHI-QKDODKLFSA-N 497.595 5.262 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c(F)c1 1790642330 PDNMHXLPCPJLAI-SFHVURJKSA-N 471.532 5.523 30 20 JKED Cn1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)c(C(F)(F)F)c1 1790763746 LJEZCSOBGXBWPJ-UHFFFAOYSA-N 484.453 5.116 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H](C)CCCN3C(=O)OCc3ccccc3)CCC2)cc1 1791587886 RZZVSQNYIUQDGX-HFZDXXHNSA-N 489.616 5.134 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4cnc(NC(=O)OC(C)(C)C)s4)cc3)CCC2)C1 1791808243 VKBROEWCCIMPEK-UHFFFAOYSA-N 496.633 5.133 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccncc4)CCC3)cc2)c1 1792122972 FZTAHMUYQZAVJJ-LJQANCHMSA-N 470.598 5.249 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C=O)s4)CCC3)cc2)cc1C#N 1792168271 HDHYZLWGZPBNTH-UHFFFAOYSA-N 487.581 5.281 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205774 WBGFMRGZMVURQV-RJGXRXQPSA-N 481.637 5.026 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1)c1cc(Cl)c(Cl)c(Cl)c1 1796897964 XDZRTQOCQLKRLK-ISFILERXSA-N 497.831 5.399 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)ccc(Br)c1C 1800782366 XMIQIWGNHMPMMN-BJWYYQGGSA-N 465.407 5.141 30 20 JKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1 1800803959 SEHIQHXHWOFPDP-REPLKXPHSA-N 492.925 5.979 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccnc1 1802501745 AYBCJLNQONKJET-OFNKIYASSA-N 470.013 5.056 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C2)CC1 1804745041 CTOJAXSXEHBXNS-NRFANRHFSA-N 454.014 5.435 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C4(c5ccccc5)CCCC4)C3)CC2)c1 1805239055 FBEROALTOYXUTN-DEOSSOPVSA-N 483.656 5.670 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3CSc3ccccc3)CC2)C1 1806028031 UQEKHSMBENDAPW-HSZRJFAPSA-N 492.685 5.415 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)C1 1806062897 GIBJKCUCGNCPKJ-XMMPIXPASA-N 479.646 5.227 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)C2)CC1 1807695340 FNIWUEIZAWTPLB-UHFFFAOYSA-N 463.597 5.434 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1809188607 GAHABVHDGNXBQT-NTKDMRAZSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3nc(-c4ccccc4)ns3)C2)CC1 1810242230 KPBAJDOVSLKULT-UHFFFAOYSA-N 466.651 5.042 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1810495188 KCFJLNQHKSSJAP-UYAOXDASSA-N 477.527 5.314 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1811354862 QBTHXQZNUUXJPU-FQZUIQCPSA-N 494.639 5.297 30 20 JKED CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1812033649 LPJBEWMWJXIJGP-NUKCWJJBSA-N 480.612 5.295 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1812671694 GJTYHMKURSEDGV-WIOPSUGQSA-N 491.538 5.405 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccccc4)CCC3)[C@@H]2c2cccnc2)c1Cl 1812994314 XLRJNRLTDKJLRT-NVQXNPDNSA-N 499.014 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1814067048 HNQHRBGFWZSPKW-JKLQHZFJSA-N 479.587 5.449 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(Cl)cc2Cl)n[nH]1 1814369608 HEZYELGMRCOTDX-CRAIPNDOSA-N 462.381 5.186 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)[nH]n2)C1 1814394202 INZDMAASXXMKMR-XMMPIXPASA-N 480.572 5.225 30 20 JKED Cc1ccc(OCCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1814634790 NNRRMVVZLCTYFR-CPJSRVTESA-N 485.588 5.120 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1814824120 LHIKOHUWXZCHPQ-AOYPEHQESA-N 489.664 5.082 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@@H]3OCCc4ccccc43)n[nH]2)c1 1815134965 ZMESNRZZIYSEKF-BAEUJYSMSA-N 497.599 5.047 30 20 JKED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1815194460 IWSAFTIKETZNEJ-JSBMJGEESA-N 497.039 5.068 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Br)c4ccccc4c3)n[nH]2)C1 1817963989 JXWVUNYZKLBMKC-JOCHJYFZSA-N 493.405 5.598 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4sc(C)nc4c3)n[nH]2)c1 1818702228 WTICORIHWHPLRP-JOCHJYFZSA-N 484.585 5.128 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn3ccc(Cl)cc3n2)n[nH]1 1818781802 APYDHYDYKGXZFX-LJQANCHMSA-N 468.989 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cn3ccnc3)cc2)[nH]n1 1819303405 HPBWOCDXSBUJBD-YHXKCMJXSA-N 498.631 5.128 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CC(c4ccccc4)(C2)C3)[nH]n1 1819311059 JUUJUXZBIAXTTC-BOBIYIOCSA-N 458.606 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)n[nH]1 1819413280 NTBZZOGRLNTRSR-TWHAJKEOSA-N 464.635 5.282 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)n[nH]1 1820082630 XTCKDXDBMNEVGX-HOYKHHGWSA-N 482.588 5.471 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1820973915 QYEBLFAQWLNEJB-JTSKRJEESA-N 487.560 5.416 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)n[nH]1 1821240131 XVVGPOXXGZMKLA-HOYKHHGWSA-N 482.588 5.471 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821275194 YHTRXZXTJIDESW-NRFANRHFSA-N 465.916 5.002 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1F 1821277219 OBWMSTQYVZDTAY-NRFANRHFSA-N 465.916 5.002 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)n[nH]2)CC1 1821869844 UYZLELMRTOZLPN-OAQYLSRUSA-N 480.012 5.261 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(Br)cc2C)[nH]n1 1821922966 DSYKSRSFZHTKFX-SWLSCSKDSA-N 465.417 5.060 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1)C(F)(F)F 1821994793 ZTTMZVZQTCSSGJ-MRXNPFEDSA-N 462.497 5.357 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1823668063 NXSBOHHTFSMVMO-SANMLTNESA-N 482.584 5.069 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 1823682890 MCRQPNLEFQZPEC-DEOSSOPVSA-N 481.999 5.217 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C1 1823702147 VXKOWGOUGKXKRN-AREMUKBSSA-N 458.602 5.678 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 1823888439 ZTDPHYHVTHMSRK-SFHVURJKSA-N 485.934 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1 1824139568 NLNNKNZZLZOITG-URLMMPGGSA-N 491.720 5.287 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)c[nH]2)cc1 1825423874 BHTVAIBISCBGBR-MUUNZHRXSA-N 480.612 5.409 30 20 JKED Cc1nc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1825867050 UPTKTLVVFVTNNR-JOCHJYFZSA-N 473.759 5.044 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)c1 1827875468 IRQBHIMTQXOIRE-HHHXNRCGSA-N 496.586 5.306 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1 1828820683 ASLMIRVEIUYIEH-LOSJGSFVSA-N 452.614 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1829066385 FDNVIDUKMZDAOW-RUZDIDTESA-N 465.638 5.402 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)cc2Cl)CC1 1829071592 RHEPUDBDPFEWGR-HSZRJFAPSA-N 461.046 5.574 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1829664873 QNDSUFYKUGYUGZ-AOYPEHQESA-N 481.656 5.428 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1Cl 1829688300 VZAOETPONMWKFO-DEOSSOPVSA-N 494.010 5.316 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829869800 ZUOQVWJFQYTUEI-GBXCKJPGSA-N 490.673 5.368 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)CC1 1830557577 RGYARIBVAJHNQZ-HXUWFJFHSA-N 499.902 5.255 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)sc2c1 1830632664 VEBJDZLNUGTYRG-VWLOTQADSA-N 485.653 5.823 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2F)CC1 1830686588 OVQJMYQGHYRDCW-IBGZPJMESA-N 498.824 5.025 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCCn3cccc3)CC2)c(Cl)c1 1830721822 QPLDOYFXZVDYOL-RUZDIDTESA-N 481.040 5.117 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3F)CC2)c(Cl)c1 1830723121 FSJKRVLIKQJGOM-RUZDIDTESA-N 481.999 5.217 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3oc4ccccc4c3C)CC2)c1 1830769628 UFPRROHHZXDCMP-RUZDIDTESA-N 469.585 5.468 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1Cl 1830770783 JTCOKSGYUOXINL-XMMPIXPASA-N 480.008 5.076 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1830770910 LWYFXWQKVDBVJW-OAQYLSRUSA-N 485.415 5.116 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1)C(F)(F)F 1830994559 CNETXTSDWMLIEB-IBGZPJMESA-N 467.919 5.173 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1831371435 VPVVSEDSOWFDRV-UZLBHIALSA-N 476.543 5.027 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1831447443 UDBOEQPQNWSEAV-FQEVSTJZSA-N 483.481 5.022 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1832627452 DREQLLSBUVDNQK-HFZDXXHNSA-N 486.660 5.553 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3nc4ccccc4o3)CC2)c1 1832632780 BZYHJJCUWXUHHA-YADARESESA-N 470.573 5.002 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1834460178 ZLJGQKPPOYIZTG-QDPGVEIFSA-N 479.709 5.156 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C)cc3Cl)CC2)CC1 1836697757 DACCCPYBWNWSEN-UHFFFAOYSA-N 459.030 5.029 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2 1841056314 VFBWTGALNUQKBF-JOCHJYFZSA-N 489.701 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)C1 1844753136 ILIWABGMHFJVQV-IBGZPJMESA-N 452.982 5.087 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(Cl)cc3)n2)nc2sccc2c1=O 10279691 PCIHLAKFWSMMCE-UHFFFAOYSA-N 462.021 5.625 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 11258951 ZQFNKMFIHWIPIL-UHFFFAOYSA-O 472.099 6.963 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2ccc3c(c2)CCCC3)cc1F 14872444 SXKXFYLJQWPLEZ-UHFFFAOYSA-O 498.441 6.114 30 20 JKED C=CCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1-c1ccc(C(C)(C)C)cc1 21123372 KBQABLJGBBKVQF-UHFFFAOYSA-N 465.648 5.636 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(O)c2)cc1 22732608 HLTIBCVGZQNGEU-UHFFFAOYSA-O 470.412 5.617 30 20 JKED C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 28786046 PWSUWVGJLZQTRN-QGZVFWFLSA-N 485.638 5.399 30 20 JKED C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 31682476 FNHWECYADOVBSA-LLVKDONJSA-N 465.387 5.415 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 36806994 UWPFOVQMLUHVMF-UHFFFAOYSA-N 484.050 6.060 30 20 JKED C=CCn1c(S[C@@H](C(N)=O)c2ccccc2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 45726676 QCIVNAUAZWICPX-AREMUKBSSA-N 491.620 5.973 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 218649909 YNAWAPAWXNNUEW-INIZCTEOSA-N 471.611 5.475 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1 302946731 CTPSARTUHARFIL-UHFFFAOYSA-N 452.377 6.049 30 20 JKED N#CCCN(Cc1ccco1)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 303171124 YRFXDQZXWWNXFF-UHFFFAOYSA-N 492.651 6.105 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1c(Br)cccc1Br 303347195 ZTUQMPGLBFHBSY-GFCCVEGCSA-N 484.213 5.481 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 409548207 IJEXEEBJQZZWPF-PGRDOPGGSA-N 461.375 5.454 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 409811201 KLKHPUFJAAVHQO-RUZDIDTESA-N 470.529 5.098 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 483351798 MCELYRDFEAHQKY-GBXCKJPGSA-N 455.533 5.149 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 485439778 UGBKALJTMJHLDJ-CYBMUJFWSA-N 494.407 5.281 30 20 JKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1OC 489383597 HAPUYKOCLRWABW-LTGZKZEYSA-N 467.569 5.505 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 498815421 KHUAQBHMSPINMB-UHFFFAOYSA-N 458.612 5.390 30 20 JKED COc1cccc(/C=C(/CC(=O)N(C)Cc2ccc(C#N)cc2)c2nc3ccccc3s2)c1 499435209 MXRKNHNAQAPBNH-HMAPJEAMSA-N 453.567 5.766 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 501148433 MGOWOPRYVOCHSH-UHFFFAOYSA-N 473.592 5.262 30 20 JKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 501548614 ZOUUUXXLNRYIIT-SFHVURJKSA-N 495.615 5.177 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 503322267 ZNCHCTNPWDJLBB-UHFFFAOYSA-N 498.560 5.585 30 20 JKED CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 506999594 DSIGAXFESFKGOL-QHCPKHFHSA-N 471.582 5.105 30 20 JKED N#CCC[C@H](C#N)CSc1nc2scc(-c3ccccc3)c2c(=O)n1CCc1ccccc1 508377707 UNXGVKHGUMQOIV-HXUWFJFHSA-N 470.623 5.903 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510231956 ZNTRAEYEHYIBQR-UUOWRZLLSA-N 492.044 6.312 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1OCC(=O)N(C)C 510651945 UMHUWTYIGOIXGY-HSZRJFAPSA-N 472.545 5.090 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc(C)ccc1OC 512961571 KDHYPZVKMPMZDZ-INIZCTEOSA-N 472.998 5.133 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1 513994879 QTEWSVKFJWYWKG-UHFFFAOYSA-N 456.521 5.054 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1OC 515179524 FCDZBQIEBABHJQ-OAQYLSRUSA-N 489.597 5.175 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc(F)cc(Br)c3)c2)cc1 515796781 OYZBDIAMLLMMOT-UHFFFAOYSA-N 468.326 5.555 30 20 JKED CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 515897439 MXMCTPFFNDKENM-MBSDFSHPSA-N 475.976 5.599 30 20 JKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516019607 SOSJHBOFTCZOBA-IIBYNOLFSA-N 466.368 5.807 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 516817134 OAYHOXIVPSTFPY-OYRHEFFESA-N 498.583 5.230 30 20 JKED CN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 518191939 WDQODFQEGAWNAL-OAQYLSRUSA-N 496.792 5.355 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 518678187 MVYTWOANYIQYSZ-UHFFFAOYSA-N 450.951 5.728 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1Cl 518857886 IIDMLTMLRSAUPJ-XMMPIXPASA-N 453.929 5.458 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)CCOCC1 520856685 NDOHRCNEIYIAPV-QGZVFWFLSA-N 474.026 5.470 30 20 JKED COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cs2)cc1 521734582 RIRHICHLTDUNDN-INIZCTEOSA-N 469.657 6.085 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)s2)cc1 522351093 SRRYNKXAFWVRMF-UHFFFAOYSA-N 488.554 5.070 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CSc1nc(C)c(C)c(C)c1C#N)CC2 596749139 MAHARTAMKDILGQ-RUZDIDTESA-N 493.654 5.224 30 20 JKED C=CCN(C(=O)Cc1sc(C)nc1-c1cccs1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459359 RHUZJSDJVDXMDN-UHFFFAOYSA-N 482.612 5.973 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 603530610 LEELHEPVVABLSJ-UHFFFAOYSA-N 457.521 5.928 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cn2)cc1 603689583 QGEOEDNYOJNOKY-SFHVURJKSA-N 455.543 5.767 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 604006513 JDOBDZWLVRALMW-XMMPIXPASA-N 478.383 5.363 30 20 JKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 604554589 LXIUNKRDBYVHLG-IBGZPJMESA-N 453.546 5.193 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 608845421 XADWFVLWZFEWON-FYYLOGMGSA-N 490.357 5.032 30 20 JKED Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cc1 608922133 BHNYIWAYXSCKRU-OAQYLSRUSA-N 469.585 5.061 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 609061277 NDZOGEMLILYVSW-UHFFFAOYSA-N 477.446 5.298 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2)c1 609073796 YDOOHBZPVZHFNP-OAQYLSRUSA-N 472.520 5.159 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCOCC1 609079239 QHOJXTWSKVVRCF-UHFFFAOYSA-N 499.611 5.633 30 20 JKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609079569 GSAMTVHOCDSATF-UHFFFAOYSA-N 483.012 5.483 30 20 JKED Cc1cc(Br)cc2c1N(C(=O)C1CCN(c3oc(-c4ccco4)nc3C#N)CC1)CCC2 609102030 BQYJHKLNRHWYDS-UHFFFAOYSA-N 495.377 5.073 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSCc1cc(-c2cccs2)on1 609378316 CQWPLCWLKYOOIN-UHFFFAOYSA-N 483.562 6.300 30 20 JKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 609379234 ZGBOVWGNZWFASB-LLVKDONJSA-N 479.343 5.520 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 609428680 ZKZMADIBVVZUOV-OAHLLOKOSA-N 470.019 6.609 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccc2ccccc2n1 613290825 NIKNHQVITMIGPA-HSZRJFAPSA-N 469.504 5.778 30 20 JKED CSc1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1-c1ccccc1 613403689 FREZZFINCLZMBV-CQSZACIVSA-N 458.490 5.713 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 614072550 AHKAACWONCGBHY-OAQYLSRUSA-N 487.456 5.818 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(N(C(C)=O)c2ccc(C)cc2)n1 614512821 CIJKZRWBWPZEKE-UHFFFAOYSA-N 496.706 5.234 30 20 JKED O=C(CCc1ccc(Br)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 621030514 TYJOSKJCWOQRBM-QWRGUYRKSA-N 450.192 5.110 30 20 JKED C=CCN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2c(s1)CCCC2 623331819 STXOHSHBJNVJCW-JOCHJYFZSA-N 480.033 5.756 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OCc1ccccc1 642281874 VWXJTHSKRSXMAJ-OAQYLSRUSA-N 470.550 5.896 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\CCc2ccccn2)c(C)s1 726109376 OEGVWQWWWQSNNF-CWHVSTADSA-N 492.670 5.392 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(C2CCCC2)C1=O 726420009 GYTWMJFPSJFKOH-QGBHTJAESA-N 457.621 5.089 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)sc2C)cc1 726570551 FRLVLYUWXAQTGM-UHFFFAOYSA-O 497.109 7.404 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C(C)C)cc2)cc1 726571300 RJENWBFOKHGHCS-UHFFFAOYSA-O 463.026 6.508 30 20 JKED C[C@H](OC(=O)c1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 727019179 GEDHYLUVSKKKIW-AWEZNQCLSA-N 483.590 5.259 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc2c(c1)OCCCO2 727277634 PHLJSLGTINRHPQ-UHFFFAOYSA-N 451.361 5.135 30 20 JKED CCOc1c(OC)cc(/C=C2/CCc3nc(-c4ccc(OC)cc4)sc3C2=O)cc1OC 727780818 UGOVHKQVOIKKGO-ATVHPVEESA-N 451.544 5.447 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 727996726 LIMJCESEDUISKO-UHFFFAOYSA-N 473.536 5.740 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1-c1ccc(F)cc1 728006785 QNYBGZJJPFIPNN-UHFFFAOYSA-N 473.529 5.114 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728149123 HMJDMDTXZCREHL-HXUWFJFHSA-N 480.446 5.067 30 20 JKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728186050 VOOIUNIGGZVYOQ-UHFFFAOYSA-N 497.935 5.287 30 20 JKED Cc1ccc(-c2csc3nc(/C(Cl)=C\c4ccc(O[C@H](C)C#N)cc4)nc(O)c23)s1 728699640 GYFFVRPSIKJKDJ-UDPFGDFPSA-N 453.976 6.462 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)cc1 728776615 COACBQVSFZBIOW-QHCPKHFHSA-N 476.602 5.160 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)c1 728776896 GFSFJDOMNKCRCP-NRFANRHFSA-N 469.010 5.611 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1 728779496 IWVWASSFQTYAOG-HXUWFJFHSA-N 470.982 5.003 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1sc2cc(Br)ccc2c1Cl 729888374 DXOWMPUUJYBYFH-CYBMUJFWSA-N 468.159 5.932 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 731063865 NJRLDRUXMQODAT-HNNXBMFYSA-N 486.018 5.582 30 20 JKED Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cs1 731080309 KKNKSKQJPQCITP-OAHLLOKOSA-N 451.573 5.166 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)o1 731307763 VGPWRROXUARCJT-YCASGBEESA-N 493.560 5.408 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(OCc2ccccc2C#N)c1 731315136 YFBDZBGDGWGDIF-UHFFFAOYSA-N 476.561 5.766 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(Br)c1 732780811 VGKSEZFYVJYBER-LJQANCHMSA-N 488.407 5.022 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccc(Cl)c2Cl)C1=O)NC1CC1 745583988 KWOHPWBFJPWIDV-QGZVFWFLSA-N 484.355 5.072 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)cc1C 747603341 TXHKMOYJQVGTQH-HXUWFJFHSA-N 482.606 5.102 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 750697460 MJUHYEKOJURISY-GOSISDBHSA-N 450.539 5.119 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 750703374 RNAGIOSKZSTILR-XMMPIXPASA-N 492.373 6.027 30 20 JKED CCOC(=O)c1sc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c(C#N)c1C 754650989 XQAZMFBJYAFXFO-UHFFFAOYSA-N 475.448 5.563 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CC(F)(F)F)C2=O)cc1 799219599 VBFCSEJLKYFZFF-GOSISDBHSA-N 483.487 5.137 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC)cc1 799222361 WNANNTLZHXNCOW-QGZVFWFLSA-N 466.390 5.372 30 20 JKED CCOc1cc(C#N)ccc1OC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 812014646 KITCONGHKNVEFQ-UHFFFAOYSA-N 494.960 5.208 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2F)C1=O 837302040 SCZASIHGZNBDNI-JOCHJYFZSA-N 481.524 5.134 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 837518950 HAXQIYDBROEKLH-VGOFRKELSA-N 465.550 5.400 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCc3cccs3)C2=O)c1 837746426 AJCMBGUKDBZUMQ-OAQYLSRUSA-N 483.590 5.099 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 837868785 KBAUPSMMNZREIT-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED CC(C)N1CC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 849506632 OGTFXPVGYHYGCF-XZOQPEGZSA-N 477.996 5.190 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1nc(-c2ccccc2)cs1 915101532 DGJKZDGKHXPRET-GOSISDBHSA-N 486.018 5.128 30 20 JKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915101823 LWTQUJWFRFHKED-GOSISDBHSA-N 462.962 5.698 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 916056783 HYLDICMPOGVVOB-IBGZPJMESA-N 450.838 5.373 30 20 JKED COc1ccc(C(=O)/C=C\c2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)cc1OC 916137726 PENJNWUNTMPZMH-QRBCZBMESA-N 458.510 5.513 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(Cc2ccco2)C1=O 916213401 CIPBNILEQGRLLW-HSZRJFAPSA-N 493.585 5.238 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccco2)C1=O)Nc1ccccc1 916217846 XMKIJBBWCLPASH-IBGZPJMESA-N 473.476 5.459 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 916901952 ABTBUNRJJPFYKQ-HXUWFJFHSA-N 451.979 5.478 30 20 JKED N#C[C@@H](C(=O)Cc1cc2ccccc2nc1O)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997474 YNPFQDIJEPSQKT-INIZCTEOSA-N 454.338 5.790 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cs1 917560658 URCVJXBFLXQQAL-JYRVWZFOSA-N 472.570 5.345 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccc(C#N)cc3)C2=O)c1 917663826 YZDUHJBBAWMITP-DEOSSOPVSA-N 486.572 5.475 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)CC1 917673913 IUZDKEPRVROPIY-JOCHJYFZSA-N 482.625 5.049 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)cc1OC 917676800 KEVZNAUJTLNXLF-FYWRMAATSA-N 458.562 5.205 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3ccccc3c2)n1 917699720 BIWQAROACQEYCE-XMMPIXPASA-N 481.581 5.099 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2Cl)cc1 918052779 QALOSUAKZODXIP-UHFFFAOYSA-N 490.991 5.534 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 918544003 AMXKUFBFINYAMR-ZGPNMMCTSA-N 489.041 5.302 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1Cl 920110969 HUBNOYZMDVPVCQ-GFCCVEGCSA-N 466.371 5.077 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2C2CCCC2)cc1F 920167505 AAKUTITVYIKZOK-NRFANRHFSA-N 483.565 5.044 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)(F)F)cc2)s1 920169007 CBKSTGFQMUXFCD-ACJLOTCBSA-N 497.564 5.317 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cc(C)on3)C2=O)cc1 920353576 MZHOQLRMZDLJBO-HSZRJFAPSA-N 492.601 5.159 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c1 920357224 WGUOKRFDYKEQFT-QFIPXVFZSA-N 498.555 5.347 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 928966584 FXDORMSZKVHMFZ-TZIWHRDSSA-N 467.660 5.486 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)cc2)CCC1)C(F)(F)F 1785798304 WEOCHIBGKBBHRB-KXBFYZLASA-N 495.542 5.027 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)cc1 1785880815 OUJSBGBORVVLSG-RRPNLBNLSA-N 479.580 5.047 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)CCC2)cc1 1786102726 XDWOMURYLDLNSZ-UHFFFAOYSA-N 469.626 5.192 30 20 JKED COc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)nc3C(F)(F)F)cc2)CCC1 1788358502 DIWUHXXRMRZVAS-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789455242 OPISBBKAIQHKLH-ZNEWLNCYSA-N 493.648 5.287 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccnc5)[nH]n4)cc3)CCC2)c1 1789803910 YKXMGIGULCTCHH-IBGZPJMESA-N 490.567 5.160 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)cc(Cl)n4)cc3)CCC2)c1 1789907458 IQIUWGSJNUHGDE-UHFFFAOYSA-N 495.366 5.330 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3OCc3ccccc3)cc2)CCC1 1790092413 JKVHHRAICHKDED-UHFFFAOYSA-N 487.987 5.970 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5cc(Cl)ccn45)CCC3)cc2)cc1 1790706150 HUZKRCVXRKKOGV-UHFFFAOYSA-N 483.959 5.115 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790762475 BDEUYBMPRDXLMY-UHFFFAOYSA-N 494.526 5.722 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)c1 1790862427 SNCTWKVFFSGRAF-FQEVSTJZSA-N 474.564 5.923 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)CCC2)cc1 1791573803 ULFOLYFZHWGWDU-CQSZACIVSA-N 488.535 5.162 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Br)cc4c3)CCC2)cc1 1791589134 JMOCKIITSHPAHX-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4Cc5ccccc5CN4C)CCC3)cc2)c1 1792122457 AQXLZRRLBQWEHZ-LYZGTLIUSA-N 492.623 5.118 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccncc5)[nH]n4)CCC3)cc2)c1 1792124819 JPBWKFVESLPOFC-LJQANCHMSA-N 490.567 5.160 30 20 JKED COc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124936 PGMJCUPENHAGHK-IBGZPJMESA-N 453.542 5.384 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(Cl)cc3)no1)C2 1793049193 SYEIAKDVMPTFGE-WKCHPHFGSA-N 453.970 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1797905326 QNSBXVRVOXYTCT-GPJHCHHRSA-N 489.701 5.044 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1798405456 SXBPAMLZFGQLSZ-SXPGVMETSA-N 495.664 5.544 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C2 1800222019 BOCIZWYXGLTFQI-LZQXYRQZSA-N 469.670 5.334 30 20 JKED C=CC[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(C)(C)CC1)NC(=O)OC(C)(C)C 1800233997 UEYNNEOOZUBCII-BXXSPATCSA-N 489.701 5.091 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(C)(C)CC1 1800234312 CUPOLOOGDPNOJE-BJESRGMDSA-N 489.701 5.091 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)c1 1800768104 OQCSPDSOLXLDSD-NUNAXRQHSA-N 478.552 5.174 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c[nH]c4cc(Cl)ccc24)C3)c1 1803680180 XKVKVAJTAUCRQA-KQLYMOGASA-N 460.965 5.014 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1 1804863671 LLXIERNMJQZVIN-NFBKMPQASA-N 450.627 5.019 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)[C@H](F)c4ccccc4)C3)CC2)cc(C(F)(F)F)c1 1806525557 STJDCCJGVMYPTF-JOCHJYFZSA-N 487.497 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)[C@@H]1c1cccnc1 1810171033 CFRBEERAENYTOB-PQNGQFLHSA-N 465.663 5.529 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810458958 UMXQOTCLKKHJIG-SVBPBHIXSA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1810500401 OZVABENUNCFOKM-GBXCKJPGSA-N 479.024 5.528 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)cc1 1811358016 FIQRHXZUUSBAOJ-LPXKIKMRSA-N 484.644 5.074 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CC3)[C@H]2c2cccnc2)cc(C(C)(C)C)c1 1811413600 WPXGNALVMMMPAT-OFVILXPXSA-N 486.660 5.300 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1 1811795742 BNVHSHHADVXXSO-GBXCKJPGSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1812589541 HCAHPCYYCSLWNV-GGPAXRDESA-N 485.603 5.343 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[C@H]1c1cccnc1 1812592163 QHIBKIUHBMNPME-XAXKJMDRSA-N 493.611 5.157 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C[C@@H](C)c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1812734353 YHBVAWVXWAAUTQ-BNPQRGNWSA-N 493.651 5.478 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2F)[C@H]1c1cccnc1)c1ccccc1 1813744575 MXWNGJJZHDFUDD-CERRFVOPSA-N 483.587 5.046 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1814301844 PMOMYSYBSPZAIG-FUFSCUOVSA-N 487.669 5.101 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)[nH]n1 1814829261 CCDQVHJBRYKAOJ-VWLOTQADSA-N 469.589 5.546 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1815207979 QPOAJBFXMZXZGY-RUZDIDTESA-N 472.589 5.365 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815246444 LIKYCJJURJDHCE-UPVQGACJSA-N 478.618 5.462 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](F)c3ccccc3)n[nH]2)c1 1815557909 BIYIFWYEBMINMR-OUPRXKBMSA-N 459.525 5.053 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c1Cl 1815789206 VNHMUONQGLYQBK-DGVDTQEHSA-N 498.974 5.435 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccccc3Cl)n[nH]2)c(Cl)c1 1816903754 KLEZIIFPBQLBQD-OAQYLSRUSA-N 482.371 5.137 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)cc2c1 1818115672 IUKBGTNCYXINFY-GLCJEOIMSA-N 487.585 5.006 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc(OC)ccc3n2)n[nH]1 1818666402 MHSULKSFIVJEKM-YKSBVNFPSA-N 473.577 5.041 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(Br)cc23)n[nH]1 1818934128 CLHKEAQWCCINIM-YCRPNKLZSA-N 498.425 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)[nH]n1 1819554465 AJIJMIMQHIIBPX-HXUWFJFHSA-N 465.623 5.626 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1820207347 JFMNAMFPCHXDLZ-GOSISDBHSA-N 491.598 5.186 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)n[nH]1 1820952913 ZYVBLMPXHZXQJI-QUCCMNQESA-N 489.661 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3cccn3)cc2Cl)n[nH]1 1821021398 KICSKOXXPKKWPG-XXBNENTESA-N 493.011 5.323 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)c(OC)c(C)c2)n[nH]1 1821229650 PSFDRIFNJMUIQQ-IFMALSPDSA-N 450.583 5.109 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821425945 MRRMAHXLCYGMGV-QHCPKHFHSA-N 477.996 5.686 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3n2)[nH]n1 1821920378 HATGRRZWFCBPEZ-BTYIYWSLSA-N 496.409 5.239 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCCC(=O)OCc2ccccc2)[nH]n1 1822402322 MAAMESLIKUHKPD-DEOSSOPVSA-N 494.636 5.452 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1822575910 FPECNTVILMQPQT-HSZRJFAPSA-N 461.541 5.043 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)[nH]n1 1822579856 LAUHOGUIAFMZLS-QHCPKHFHSA-N 491.542 5.249 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)[nH]n1 1822580264 YBJKURKLSMQSHX-RUZDIDTESA-N 494.599 5.248 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1822580851 CFOIQDOALOATEI-OAQYLSRUSA-N 471.001 5.350 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)ccc2s1 1823215029 LUOSPFSZJLTWRE-WAIKUNEKSA-N 498.612 5.575 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(NC(C)=O)ccc2Cl)n[nH]1 1823326338 FXAIBSORAZIWBO-NRFANRHFSA-N 486.016 5.320 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncsc2Br)CC1 1823752314 CFOSQIWMVIDQLR-KRWDZBQOSA-N 482.488 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccco3)no2)CC1 1823752651 JPAXQCNDYGHQGX-OAQYLSRUSA-N 453.583 5.160 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)C#N)CC1 1823889524 BDHWMQHMDLGUNO-XMMPIXPASA-N 489.701 5.230 30 20 JKED COc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC3CC3)CC2)cc2ccccc2c1Cl 1824411611 VMPGSEMUNREMAU-XMMPIXPASA-N 479.020 5.149 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1827380799 ZLUXUOCDDGBUPF-NDEPHWFRSA-N 496.655 5.657 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccco4)no3)CC2)c1 1827420262 HWOWPZMBRWHIEF-DVECYGJZSA-N 486.572 5.109 30 20 JKED Cc1cc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1F 1827684918 ZIGMGRZUIWOSOY-DORXLWPQSA-N 486.584 5.007 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)CC2)cc1 1828166288 JHMZQVXITGTRNQ-VWLOTQADSA-N 487.003 5.307 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828244970 CIFXWDJGCRALJJ-RUZDIDTESA-N 464.650 5.431 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828251517 UCFWFPHICCAHQU-QHCPKHFHSA-N 467.679 5.830 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)ccc1F 1828460235 RDZWFHOXTGQLTQ-DGPQKAOFSA-N 493.667 5.466 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)CC2)c1Cl 1828712339 RRMFUZDSNWIHJG-NRFANRHFSA-N 481.021 5.302 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828904539 YMIQUBPHUBBTBP-QFIPXVFZSA-N 488.770 5.431 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)CC2)c1 1828938141 RQLIEIPUZPNDPC-FXTCCQQZSA-N 499.680 5.435 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(F)cc2)CC1)c1ccccc1 1829032537 KOOACUBJYUUECZ-IZLXSDGUSA-N 490.619 5.021 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1829708012 QXKASVQCJBXBML-HSZRJFAPSA-N 467.009 5.149 30 20 JKED COc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1829908880 IGIDCVFGPGNQNK-QHCPKHFHSA-N 499.533 5.133 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829998335 AQXVOHQDRIHJQC-QHCPKHFHSA-N 487.497 5.263 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829999401 XKAXSNMJCOANNB-QHCPKHFHSA-N 469.507 5.124 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1831373624 GPRNCIXSFHHJQJ-IERDGZPVSA-N 454.508 5.290 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1831374863 JGCLIEADNSIXBJ-NTKDMRAZSA-N 483.056 5.186 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1831506787 FIJNOTBJOFEQLG-QZTYOQMJSA-N 478.658 5.301 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1831849811 HPWZSNJMSGNZHQ-QHCPKHFHSA-N 473.539 5.224 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831969405 NSIIHJFKZASLAR-RQWLHQTBSA-N 495.408 5.293 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832042226 NYMXCRVZAOJXRX-JIPXPUAJSA-N 489.685 5.512 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 1832633498 HZRUFXBVEJEUTG-KOSHJBKYSA-N 481.999 5.653 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)c1 1832634054 RFUGDXBYSSHWOW-SSOJOUAXSA-N 483.534 5.278 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(F)c3F)CC2)c1 1832635651 NLQNQLNTCLKOHG-XDHUDOTRSA-N 483.534 5.278 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3F)CC2)cc1C#N 1832704478 LIEAHJQUUHRRKM-XMMPIXPASA-N 495.570 5.171 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1832829102 VRCYYQGAHFFZGM-HSZRJFAPSA-N 481.434 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)CC1 1838424410 FBWYEAPQGRQCAP-YHBQERECSA-N 460.703 5.440 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 8633191 UUEMHPRTOQYDHX-CQSZACIVSA-N 453.633 5.116 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccc(C)cc1C 10168495 DCINDSOATWVSNV-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(N(C)C)cc2)cc1 10172847 XTGBXDKYRXDWSM-UHFFFAOYSA-O 484.592 5.816 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 10178947 PUCTZXODWQQWDV-UHFFFAOYSA-O 454.015 5.866 30 20 JKED N#CC1(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)CCCCC1 11196840 RUGOFVFAIVHEGN-UHFFFAOYSA-N 451.983 5.022 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccccc2CC)c1C 11265752 DBXPMGCFIQEPJZ-UHFFFAOYSA-O 492.665 5.832 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 21097202 FEIMNONADGCZDE-UHFFFAOYSA-N 486.022 5.003 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)NCc2ccc(OC)cc2)cc1 22693056 XLVMHFSFNZEWLA-UHFFFAOYSA-O 467.680 5.985 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(C)c(C)c2)cc1 22695361 BJJWVMSNEMZIBS-UHFFFAOYSA-O 468.440 5.967 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1F 22732095 RAQASOFXZOMJAO-UHFFFAOYSA-O 450.342 5.485 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)n1 24284597 SHUSJCVFEAKEHF-GXSJLCMTSA-N 464.538 5.557 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1ccccc1OC 25574291 BVJJYDHPDIHVCA-UHFFFAOYSA-N 482.609 5.695 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccc(Br)c3)o2)c1 26338114 FJMUIUBIHOLCOY-INIZCTEOSA-N 485.407 5.543 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)o2)cc1 26494618 KTOSQVGSYWEXHE-IBGZPJMESA-N 463.607 5.319 30 20 JKED C=CCOc1ccccc1CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cnc2onc(C)c2c1 72085128 LKAAUSXMTARJHR-UHFFFAOYSA-N 463.559 5.108 30 20 JKED N#C[C@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1cccc(Cl)c1Cl 78718871 ZOWFEEHBUJNRHO-FQEVSTJZSA-N 467.381 5.928 30 20 JKED COc1cc(/C=C/C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1OCc1c(C)noc1C 105724967 NLZBPGBUVVLVFO-NTCAYCPXSA-N 479.536 5.326 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 255937035 NEDJOZGSGRRDMI-UHFFFAOYSA-N 481.368 5.239 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 303033616 RKZUZHCZUMVUBZ-XMMPIXPASA-N 477.358 5.113 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)nc2ccccc21 303086587 BONDGLKTLXPLHF-DEOSSOPVSA-N 481.556 6.098 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 409809698 FUNAAWGTJQOLMV-NRFANRHFSA-N 470.573 5.201 30 20 JKED Cc1nc(NC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)sc1SCC#N 409817027 FIBYAHCIUFVFTM-KRWDZBQOSA-N 492.395 5.728 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 483367901 AEWXCVYVGTXJCL-HYBUGGRVSA-N 455.533 5.149 30 20 JKED C=CCOc1ccccc1CN(C(=O)CSc1nncc2ccccc12)c1ccc2c(c1)OCO2 485185663 FVNQWMZABJQAOZ-UHFFFAOYSA-N 485.565 5.249 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 487266894 WFLWWWNAGYVLBI-KDURUIRLSA-N 488.613 5.026 30 20 JKED Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1NC(=O)c1ccccc1 488026005 WPDVBTNZHJBMNX-UHFFFAOYSA-N 477.539 6.101 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 500066973 OYIHRBAGJHNGKF-UHFFFAOYSA-N 490.542 5.237 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(F)cc2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 500293948 VWOBFRGZVOSCMV-UHFFFAOYSA-N 480.546 6.122 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3cccc(COCC(F)(F)C(F)F)c3)c2C(F)(F)F)c1 502116558 AGBPPHDJLHYPLT-UHFFFAOYSA-N 489.391 5.869 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1-c1nc2ccccc2s1 504107216 ANVXPYKGOKDFML-UHFFFAOYSA-N 452.543 5.066 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 508292857 POXRQGRTIBFOGK-UHFFFAOYSA-N 453.498 6.186 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)o1 510687283 WSBOJTKTPUQZMX-UHFFFAOYSA-N 495.413 5.847 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1c(Cl)cccc1Cl 510981965 JAXRIGIMYQQRKX-LBPRGKRZSA-N 489.313 5.932 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 512305117 RKIVFRJBHJTTFF-UHFFFAOYSA-N 488.950 6.265 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1nc2ccccc2[nH]1 513658815 BLTUIKUAQZDFID-GOSISDBHSA-N 459.303 5.068 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)c(C)c1Br 513682652 XPFFWBSXUFCCGH-MRXNPFEDSA-N 451.349 5.351 30 20 JKED C=CCN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1nc(-c2ccccc2)cs1 515327659 MEZUUSMQRIWXCX-SFTDATJTSA-N 489.641 5.811 30 20 JKED N#Cc1c(NC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)sc2c1-c1ccccc1CC2 515625948 IJYQZTCXKPCJSR-IBVKSMDESA-N 489.597 5.054 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(COc4ccc(C)cc4C)o3)n2)cc1 516714273 YYMBVWOBPMXRMU-OAQYLSRUSA-N 458.539 6.098 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc(O)cc1)Cc1ccco1 517130517 DXVDVFIZFSLXRD-UHFFFAOYSA-N 467.525 5.979 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 517462051 ZKFDRHLKGXXIQX-QMHKHESXSA-N 454.567 6.689 30 20 JKED COc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c([N+](=O)[O-])c1 518147345 KEDOKPCOTARSCT-GFCCVEGCSA-N 468.457 5.067 30 20 JKED Cc1cccn2cc(COc3ccc(C(=O)Nc4ccccc4S[C@@H](C)CC#N)cc3)nc12 518239426 CBXMHAIMVLHONW-IBGZPJMESA-N 456.571 5.868 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1nc2ccccc2o1 518502266 FCRARJCWFULWKH-MRXNPFEDSA-N 451.251 6.012 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1Cl 518653516 IGYQLVKBSRAJRW-ZCYQVOJMSA-N 457.961 5.168 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCOc3ccccc3-c3ccccc3)cc2)cc1 519078501 WDASWNRWMXQBAK-UHFFFAOYSA-N 477.520 5.151 30 20 JKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 519996909 IYMKDCRGJOOIFE-AWEZNQCLSA-N 470.407 5.717 30 20 JKED COc1cc(Br)c(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 520940223 JJASICDYPIYHIU-UHFFFAOYSA-N 482.334 5.452 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(Br)cc1F 521729761 GZIARMMIJJVXQR-ZDUSSCGKSA-N 453.402 5.712 30 20 JKED CCOc1ccc(Br)cc1CN(C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 521747577 SJOCBDBCIVCKOU-MRXNPFEDSA-N 488.451 6.296 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2cccc3cccnc23)cc1Cl 522235470 WBWQETNDOWAQHF-NRFANRHFSA-N 469.932 5.304 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)c1 523187958 APWYPDHBGFGYMJ-IGKWTDBASA-N 465.981 5.435 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(CCC#N)Cc1ccco1 523347609 NNZHRQVNBIZBAV-MRXNPFEDSA-N 478.599 5.221 30 20 JKED O=C(Nc1ccc(F)cc1)C1CCN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 586850732 FNLQZRUOXIENHG-HALDLXJZSA-N 483.428 5.095 30 20 JKED CC(C)CN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(C#N)cc1 603528958 CGHJWBLKJOMDTG-UHFFFAOYSA-N 464.919 5.531 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(COCc4ccco4)c3)cn2)cc1 603689572 PYYZGTMXNHTBRE-UHFFFAOYSA-N 454.486 5.377 30 20 JKED CN1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c(C(F)(F)F)c2)CC1 603776018 UDNPRKADOMFRRZ-UHFFFAOYSA-N 494.517 5.160 30 20 JKED CCCOc1ccc(Cl)cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603977441 VQORABXXTADQRA-UHFFFAOYSA-N 454.914 5.104 30 20 JKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 604084759 IBLJTODZOOJYHR-RUZDIDTESA-N 455.558 5.579 30 20 JKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C 604089472 BCSVMDODYMKMGK-UHFFFAOYSA-N 462.937 5.723 30 20 JKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1OCC(=O)NC 604089798 LBBLISALKMUOFB-QFIPXVFZSA-N 492.963 5.402 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1Cl 604406630 HVQLMECPTCFYES-XMMPIXPASA-N 479.024 5.688 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4ccc(Br)cc4)CCOCC3)cn2)cc1 604566787 NISIAQJZZRXZOP-UHFFFAOYSA-N 478.346 5.195 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)CC1 608945320 FYBVDXGDHXEWIQ-OAQYLSRUSA-N 498.505 5.795 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 609006923 XZIQJJWYKPQCCU-XMMPIXPASA-N 499.567 5.183 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)cc2)c1 609064542 CZMOTEGAUAESCX-UHFFFAOYSA-N 468.582 5.602 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 609153579 JNTOOEGLLDPIFE-UHFFFAOYSA-N 481.552 5.494 30 20 JKED N#CCn1c(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc2ccccc21 609160851 HOYZMBBBYZEJJU-HSZRJFAPSA-N 473.458 5.579 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CCCC3)cn2)cc1 609254741 HWVMBJIWQOVDMW-DEOSSOPVSA-N 474.948 5.385 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 609437038 LUJOSDDYYOLKTR-OAQYLSRUSA-N 481.625 6.314 30 20 JKED N#C[C@@H](C(=O)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347027 VIMDCTOGHDPHQT-KRWDZBQOSA-N 456.354 5.734 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 615497503 LZKHTODVKVTCLB-BGYRXZFFSA-N 495.620 5.336 30 20 JKED Cn1ncc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c1C(F)(F)F 622538023 JQEYUKPEVQUUBX-UHFFFAOYSA-N 484.353 5.018 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)Cc2cccs2)nnc1-c1ccc(Cl)cc1Cl 642160073 QHNBSAHAKFMJQC-ZDUSSCGKSA-N 467.447 5.339 30 20 JKED Cc1ccccc1-n1ncc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C(F)(F)F 642161567 OANRFMFMTYKAGC-ITGUQSILSA-N 487.366 5.839 30 20 JKED C=CCN(C(=O)COC(=O)c1cc(C)nn1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 726021855 QPBQNHSFSTXJLB-UHFFFAOYSA-N 479.389 5.018 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726322279 UCRFNDCKPMHWGL-CYBMUJFWSA-N 484.286 6.097 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 726396682 FZONALLGPCBFPT-MGPUTAFESA-N 459.999 5.034 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)cc1F 726412354 RISBFBYVHWMDDC-FQEVSTJZSA-N 487.553 5.195 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@H](C)c2cccs2)cc1 726581018 YEPDKUWSSUWNPB-GOSISDBHSA-O 494.706 5.957 30 20 JKED CCCCOc1ccc(C=NOCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1OC 726594383 KFDRPZCBOTZHFE-UHFFFAOYSA-N 450.322 5.782 30 20 JKED Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C)n1Cc1ccco1 728111083 ZDPFFNRXWUPTRN-LJQANCHMSA-N 472.497 5.218 30 20 JKED CCOc1cc(/C=C2/CCOc3ccccc3C2=O)ccc1OCC(=O)N(C(C)C)C(C)C 728441189 GMXBSBWPRTXZTH-QNGOZBTKSA-N 451.563 5.158 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCO[C@H](c4ccccc4Br)C3)c2)cc1 728522329 KXDFIJIUQSIXKB-QHCPKHFHSA-N 463.331 5.327 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](c2ccccc2)C2CCC2)cc1Cl 729145151 IYDOUEZZZQSBJC-LADGPHEKSA-N 493.032 5.353 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@@H](C)c1cccs1 729631422 ITHLMIHSLOENQE-VBUNTTMDSA-N 482.606 5.181 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(C3CCC3)C2=O)cc1 730461404 ODPAFYJWGBTUTJ-DEOSSOPVSA-N 471.582 5.555 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCCC3)C2=O)c(OC)c1 730535869 JZIDRJDWVQMSFX-QFIPXVFZSA-N 485.581 5.054 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(N4CCCC4=O)cc3)cc2OC)cc1 730577536 AELDAOTUMWKSAW-VIZOYTHASA-N 485.536 5.084 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730942657 UJZMMXLGEQVNLP-MBSDFSHPSA-N 493.032 5.443 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943504 DUYOVTOOKUZCQO-MBSDFSHPSA-N 493.032 6.073 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 730943714 JUVHEIHJPCWKFQ-QKKBWIMNSA-N 484.503 5.220 30 20 JKED Cc1ccc(CC(=O)Nc2cccc([C@H](C)OC(=O)CCc3c(C)nc(O)c(C#N)c3C)c2)cc1 731302153 VMXJABKWNAAJNR-FQEVSTJZSA-N 471.557 5.002 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)c(C)c2)c1 731310273 DONSQEXHFWTXAK-DEOSSOPVSA-N 489.597 5.178 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)c1 743523772 CXYCZJMSKLWITM-JOCHJYFZSA-N 496.995 5.651 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cscn3)C2=O)c1 747601883 WRGRJZQZOOZMAV-QFIPXVFZSA-N 478.643 5.537 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)cc1 747603332 SUVUBNAGPIDYQI-OAQYLSRUSA-N 482.606 5.566 30 20 JKED N#CC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(Cc3ccccc3)c3ccc(F)cc3)c2)CCC1 749174330 UVOOCNHJIFTUII-UHFFFAOYSA-N 497.979 5.051 30 20 JKED CCCCn1c(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nnc1[C@@H](CC)N(C)C 764722992 COAURWWBVCLTTG-SUNMQZQPSA-N 455.672 5.064 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c1 799214197 HLXIQSDGDDMZTD-QGZVFWFLSA-N 471.451 5.104 30 20 JKED COc1ccc(-c2nc(SCc3csc(N(C(C)=O)c4ccccc4)n3)nc(O)c2C#N)cc1 824953476 KIIYNYOEENEOIK-UHFFFAOYSA-N 489.582 5.163 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 832010875 RPDQYIFGTZPFAF-SFHVURJKSA-N 498.052 5.416 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2nc3ccccc3s2)o1 839414373 FDONFQKEIZHKLQ-UHFFFAOYSA-N 477.571 5.296 30 20 JKED CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1 904763557 GEIOWNNWYCRCMS-UHFFFAOYSA-N 471.373 5.786 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 912843509 KVWSHAWQUSGUPO-RRPUWOKSSA-O 478.682 5.322 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(CCc2c[nH]c3ccccc23)C1=O)NC1CC1 914537692 BGKMXSFBBQEGKV-RUZDIDTESA-N 482.609 5.164 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)Cc3ccco3)C2=O)cc1 914694988 ZXXWKXGXNQRNGB-WAIKUNEKSA-N 493.560 5.213 30 20 JKED O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914785958 IJZGEICLWWDYCM-HTQZYQBOSA-N 488.328 5.210 30 20 JKED O=C1/C(=C\c2cnc(N3CCCC3)nc2)CC(c2ccccc2)C/C1=C\c1cnc(N2CCCC2)nc1 915043885 CUDAYPMXXQZUBW-ASYRIYPMSA-N 492.627 5.081 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086105 HCPDWNRGHSAZEX-SANMLTNESA-N 473.598 5.077 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 915353756 QLCQTNCJUFWKPS-AHWVRZQESA-N 474.992 5.190 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 915353760 QLCQTNCJUFWKPS-AZGAKELHSA-N 474.992 5.190 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1OC 916069383 UJTZKVAFKBEWFT-WEVVVXLNSA-N 486.446 5.776 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1C 916207908 ONMYOBBOJRTEBS-NRFANRHFSA-N 469.513 5.335 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)ccc1OC(F)F 916278772 UYSJKQKPLFMREQ-UHFFFAOYSA-N 454.502 5.193 30 20 JKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2cccc(OCC#N)c2)cc1OC 916411117 PKEDAKREJONLLN-SILNSSARSA-N 491.547 5.893 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 916679677 YJJVMDIYQSWKQU-OAQYLSRUSA-N 466.372 5.398 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc2ccccc2n1 916848177 DIBQGSLDOJQVAI-JOCHJYFZSA-N 484.353 5.669 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 916902904 LOYBZDNIBUJXAG-PDFOZTTASA-N 468.937 5.885 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COc1ccc2cc(Br)ccc2c1 916905139 ATDQAFBZMKTAPV-JOCHJYFZSA-N 479.374 5.453 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 916964564 GHLNQFSMFSVOSY-JOCHJYFZSA-N 483.499 5.025 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)c1ccsc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031215 QKCNEDSJVGTUKU-ICFVPDRFSA-N 453.633 5.059 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc2cc(Cl)ccc2s1 917046470 KHVAYNZPGSIOOI-ZDUSSCGKSA-N 461.355 5.622 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cs1 917559926 FPWCFHVJCQGOHT-XXOHTHHSSA-N 459.527 5.874 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CN2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C(C)C)cc2)c1 917665781 KOKXOCRNXOQMCB-JPYJTQIMSA-N 494.661 5.062 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc(C)c1C 917667820 JFJSSMMDNOGOQW-DEOSSOPVSA-N 479.646 5.030 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2Cc2ccc(C#N)cc2)c1 917668949 MVIQHXKWEMWOQO-RUZDIDTESA-N 497.624 5.093 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)s1 917677300 ARBSKOFQDUCNNB-HXUWFJFHSA-N 471.554 5.495 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cc3ccccc3o2)C1=O 917694930 HCHQQRBQFXTTIX-SFHVURJKSA-N 462.358 5.007 30 20 JKED CCN(CCC#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2 918872326 HRTJROIQGXMGGO-FBMGVBCBSA-N 459.571 5.092 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1nc(C(=O)OCC)cs1 920242684 IJNLBPYZYQGMTJ-UHFFFAOYSA-N 461.518 5.507 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C(C)C)cc1 920353541 MEPIXECLYDSMNR-HSZRJFAPSA-N 476.602 5.575 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2c(C)noc2C)C1=O 920354216 AQDTZVAHTZGKDJ-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 920359066 GZILHHALIAMVDZ-HSZRJFAPSA-N 494.592 5.714 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OCC(F)(F)F)cc2)cs1)c1ccc(F)cc1F 920480361 FHPSTYIRDYPZFX-WEVVVXLNSA-N 482.430 5.943 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920805925 HHHQEERDNANNDS-INIZCTEOSA-N 482.537 5.251 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 920871288 WLJQHIIGCLDHTP-DNVCBOLYSA-N 494.444 5.545 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4Cl)CCC3)cc2)cc1 1785882974 PRLRKCYELJFJAS-UHFFFAOYSA-N 479.367 5.250 30 20 JKED Cc1ccncc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1786879842 FISDIHQUETWDJC-NRFANRHFSA-N 466.585 5.398 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)Cc5ccccc5Cl)cc4)CCC3)c2c1 1787749668 VFIPUZROZKIRHT-UHFFFAOYSA-N 483.959 5.078 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4cc(F)cc(F)c4)CCC3)cc2)CC1 1787878485 WJUAXJVXNVYGMO-UHFFFAOYSA-N 472.495 5.078 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cc2)CCC1 1788394707 NIPWBCDOMOQPKW-QGZVFWFLSA-N 470.598 5.296 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nccn5c4)cc3)CCC2)c1 1789082588 PQSUGMOBZLUAPD-IBGZPJMESA-N 463.541 5.023 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)CCc5ccc(C#N)cc5)CCC4)cc3)c2c1 1789274528 JECDIVGRIMRHSL-UHFFFAOYSA-N 492.579 5.429 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)CCC1 1789869291 MFDPIAIRTKKZPS-AWEZNQCLSA-N 481.902 5.093 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)ccc1F 1790521073 ISKGWHLVRFWQDF-UHFFFAOYSA-N 497.357 5.390 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4CC(F)(F)C4)CCC3)cc2)ccc1Br 1790744482 IJNVCXYVMKWHIJ-UHFFFAOYSA-N 488.332 5.114 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnccn5)c4)CCC3)cc2)c1 1790765259 YBMNHPGISXDVPS-UHFFFAOYSA-N 491.526 5.216 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](c4ccc(Cl)cc4)N(C)C)cc3)CCC2)C1 1791127548 YCFGFVLWONUVTQ-HSZRJFAPSA-N 451.998 5.043 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)s1 1792122098 BIOXYOJHRKGVLK-INIZCTEOSA-N 458.587 5.449 30 20 JKED COc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1F 1792123636 ACWPMWUABCSZPQ-SFHVURJKSA-N 471.532 5.523 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)n[nH]1 1792125112 RRJVRFIJHAIVKI-SFHVURJKSA-N 455.562 5.222 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)sc2Cl)cc1C#N 1798985242 YFSNOBZPYKGGHT-BJWYYQGGSA-N 492.428 5.279 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)cc1 1800543572 ZLCYDDMXOHODOB-QEIWAGNOSA-N 485.534 5.263 30 20 JKED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)ccc1F 1801201689 CCYSQSCGCMXQTH-WKCHPHFGSA-N 481.527 5.091 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)cc1 1802141523 OCVMCRMWHSZCOG-WKCHPHFGSA-N 482.411 5.043 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1803077088 HTYUYADTGYVNQY-RCZVLFRGSA-N 463.622 5.369 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)CC2)C1 1805451724 DTSLHRYNAKGGOC-QHCPKHFHSA-N 489.701 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1805683149 VWZUCABTFSJVFB-QPPBQGQZSA-N 465.638 5.593 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@H]1c1cccnc1 1806451409 XJAHJDWNMLXDPK-PVBXUAPSSA-N 473.661 5.686 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)/C=C/C(=O)c2cccs2)[C@H]1c1cccnc1 1808422213 NIXYOUPVZTXWBE-YZNSXSMUSA-N 495.689 5.585 30 20 JKED Cc1cc2cccc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)c2[nH]1 1809275846 PSXFSZRCWDCBHB-TVIOGVOPSA-N 491.595 5.132 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@H]1c1cccnc1 1809618260 PAVROGQODSPZHU-COAUUZIYSA-N 463.666 5.462 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3occc3c2)[C@H]1c1cccnc1 1810274030 ZPRGNIJHRIHVJR-SQHAQQRYSA-N 487.676 5.199 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCCC2(F)F)[C@H]1c1cccnc1)c1ccccc1 1810440602 KBFGFNYCXLUJID-CQJMVLFOSA-N 493.598 5.110 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1)c1ccccc1 1810443213 FRGFLSMMMCPLNG-ALTZYDRJSA-N 491.591 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1810758361 CPFCAKPBNBNBAZ-UNMCSNQZSA-N 489.538 5.292 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2sccc2Cl)[C@H]1c1cccnc1)c1ccccc1 1811099839 UWIWIYBVGLEAFT-WPFOTENUSA-N 492.044 5.313 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)cn3ccccc23)[C@H]1c1cccnc1 1811341968 FQMYFHAMTVOAIX-OMRWSRCMSA-N 492.623 5.533 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1811821955 NRXBSQFHPWLEGY-KNQAVFIVSA-N 474.432 5.700 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1812669673 ACCSZNICTYYWSV-GCJKJVERSA-N 494.567 5.080 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)ccc(F)c1F 1813849052 JKJIGWGYBSUQKM-RLWLMLJZSA-N 497.662 5.039 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ncccc4c3)n[nH]2)c(Cl)c1 1815478650 MHCPITNTNZBOGJ-XMMPIXPASA-N 498.974 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(C(F)(F)F)coc3C)sc2C1 1817675679 UMBPSGMCRWLOLM-ZIAGYGMSSA-N 467.513 5.058 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](C#CC)c2ccc(O)cc2)[nH]n1 1819309666 FOODKBSNYXAUBW-PFATUAPWSA-N 474.605 5.073 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)[nH]n1 1819311048 JIOZNPCSNUWVIO-VWNXMTODSA-N 462.594 5.273 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)[nH]n1 1819554377 WBWXOGFSDWWVQN-QFIPXVFZSA-N 474.609 5.202 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820089048 GSLJVOZCNGWLHT-OAQYLSRUSA-N 469.545 5.056 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)[nH]c2c(Cl)cccc12 1820485398 JWDKDTFSGIBXBA-OAQYLSRUSA-N 486.963 5.344 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277365 XRSHTOSVAXLVNK-IBGZPJMESA-N 495.008 5.061 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821383617 CJZZLSAOEDPVLC-IBGZPJMESA-N 473.911 5.129 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)S)[nH]n1)c1ccccc1 1821758175 UBIRDERXGLPRTG-XRODADMRSA-N 499.725 5.075 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)n[nH]1 1821787757 IXYNNHMKDDCZBY-FBMBZYNCSA-N 489.664 5.300 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1821987424 UXFRNVUBOVOGHM-LJQANCHMSA-N 493.514 5.464 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[nH]n1 1822392918 DVSLFMQSUPBMLB-MRXNPFEDSA-N 484.881 5.330 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CC2)[nH]n1 1822584371 LUEMDKSFODFOPF-OAQYLSRUSA-N 497.437 5.090 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c1 1823212810 WNQJCJJIVVXLLF-JWEJGLHDSA-N 492.583 5.537 30 20 JKED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1)c1ccccc1 1823496230 LFPZJWUQPKJLCV-ZHRRBRCNSA-N 495.505 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)nc2)CC1 1823655604 JEBOBSUYEUULAG-DNQXCXABSA-N 451.655 5.381 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)cc1 1823682902 HAHMUTMWPDGGCE-HHHXNRCGSA-N 486.591 5.045 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c1Cl 1823938422 DFECCKMHARCZKZ-JOCHJYFZSA-N 488.390 5.551 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)CC1 1824041176 ZWHYAFHLNVSDQC-HHHXNRCGSA-N 461.650 5.109 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824056033 NCPITIKDNOEEGE-XMMPIXPASA-N 494.035 5.086 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c(Cl)c1 1824056036 NGJPQVAOFZTSSY-AREMUKBSSA-N 494.035 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2noc(-c3ccccc3)n2)CC1 1824143613 OEWOJSIXUCTXKC-VWLOTQADSA-N 490.648 5.057 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824449502 LJPZFVKSXYRIRO-QHCPKHFHSA-N 462.556 5.061 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCC4)CC2)c1 1824986675 OCYBUVNQDLYEAB-MNNSJKJDSA-N 483.656 5.278 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1)C(F)(F)F 1825951691 XFZVFBIFZWGGLU-LJQANCHMSA-N 454.533 5.237 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)CC1 1826681129 PZODOPUVQXJRHR-HHHXNRCGSA-N 492.623 5.439 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCC#N)CC3)c2c1 1826689731 UEMXSGDJKMHWEN-HSZRJFAPSA-N 479.621 5.177 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCC#N)CC3)c2c1 1827299298 HICAPBNUQDXSFP-HSZRJFAPSA-N 479.621 5.177 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccnc2C(C)(C)C)CC3)c1 1827693471 QLWWVSSFPVVKRZ-LPHOPBHVSA-N 487.629 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4ccccc4o2)CC3)c1 1827698065 XWAXUYFOEXFDNX-BEFAXECRSA-N 470.554 5.056 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CC2)CC1 1827991133 JTUVUACTEJXVEV-QHCPKHFHSA-N 493.007 5.064 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1)c1cccs1 1828189042 JBFQLVIQGKJQHB-ZJVMWOEPSA-N 476.598 5.167 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1828295757 WAYKNPFXMAZSCJ-RUZDIDTESA-N 492.982 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3cc(C)c(C)cc3[nH]2)CC1 1828827593 YFZOEVGRJRBRSU-RDGATRHJSA-N 462.638 5.181 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccn2)CC1)c1ccccc1 1829203859 JVUWQIFGSANSEG-AZGAKELHSA-N 478.036 5.166 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1Cl 1829685409 FAJADYNRENBDHO-JOCHJYFZSA-N 488.390 5.551 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2F)CC1 1829878617 QYTZSOZSXGWYCK-DEOSSOPVSA-N 456.678 5.110 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2)CC1)NC(=O)OC(C)(C)C 1830003801 DREAVVDLLFFEQQ-RPBOFIJWSA-N 497.680 5.088 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830054091 MGYNGHAAOXPVQO-QHCPKHFHSA-N 469.507 5.124 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)cc(C(F)(F)F)c1 1830350882 TWMVEFKRAPZTNL-KDLSMAQYSA-N 487.566 5.557 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1830410596 QWSVREDCUCKBBM-JNLHQURASA-N 493.570 5.139 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC#N)CC2)cc(C(C)(C)C)c1 1830644015 UHCJHJQALYCJDB-DEOSSOPVSA-N 451.655 5.429 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830879159 YOXTWDOTJIKOBJ-RSXGOPAZSA-N 480.052 5.890 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1)C(F)(F)F 1831019027 JKBQFQBRWSWPRU-OAQYLSRUSA-N 479.930 5.240 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCC2)CC1)c1cccs1 1831780694 ZHYPISYWKKFRQD-JHUUHBRDSA-N 490.669 5.229 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(Cl)c3)CC2)c1 1832609851 JZVAKMSRGYGAQS-VWLOTQADSA-N 480.008 5.076 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1832629413 PNVXWCYYDLQXAW-BCHFMIIMSA-N 496.026 5.582 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)cc1C#N 1832704853 WSTAYDITDLATML-ABYGYWHVSA-N 477.649 5.325 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832977311 BQAZLOSYCFOFGF-ATIYNZHBSA-N 474.979 5.057 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1838390638 UDPQJWKLJOTVMM-HSZRJFAPSA-N 476.778 5.253 30 20 JKED C#CCCCCC(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845547055 BYPRANAOGRARQX-UHFFFAOYSA-N 466.581 5.643 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@H](C)C(=O)Nc1cccc(C#N)c1 9033748 FYPNBCQTBWCSCY-MRXNPFEDSA-N 484.025 5.863 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Cl)c2)cc1 10830468 LZIFMWLKLMWLJC-UHFFFAOYSA-O 459.969 6.254 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)c1 10832519 OYODOSQZHARGKI-UHFFFAOYSA-O 450.027 6.174 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1cccc(Br)c1 11085011 BSRZVIKQXYBMSM-UHFFFAOYSA-O 476.366 5.628 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 11158749 CSSOZSHCEZTHDD-UHFFFAOYSA-O 487.215 6.344 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2ccccc2OC)nc2scc(-c3ccccc3)c2c1=O 16715370 XNPSEMRAYMDGSZ-KRWDZBQOSA-N 491.638 5.117 30 20 JKED COCc1c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)sc2cccc(F)c12 17937524 RJFKTZWBWSPNFQ-UHFFFAOYSA-N 472.563 5.184 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)c1 20887943 BCWFXHAABLEIBS-UHFFFAOYSA-O 460.406 5.441 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 21140606 GITAGJCBYDGNAZ-HXOBKFHXSA-N 472.570 5.249 30 20 JKED C[C@@H](c1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1-c1ccccc1)N1CCCCC1 21726488 TVFZMFZLRNVFDL-KRWDZBQOSA-N 481.025 5.070 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nc2cc(Cl)ccc2c1=O 21831169 YLSAILAFDNKPAS-LBPRGKRZSA-N 478.799 5.118 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)s1 22732201 TYUMTBDUDWJJSQ-UHFFFAOYSA-O 475.634 6.433 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(CC#N)c3ccccc3)n2C2CCCCC2)cc1OC 23422182 YMTCUKCFFQEXFA-UHFFFAOYSA-N 491.617 5.116 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)n1 24284376 SXRGIQLLNJYJMD-MRXNPFEDSA-N 455.505 5.667 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cc1 25440121 QUBNFMOVOQXGTR-UHFFFAOYSA-N 450.542 5.794 30 20 JKED C=CCn1c(SCC(=O)OCc2csc(-c3ccsc3)n2)nnc1-c1ccc(Cl)cc1 28129476 QDAGBIOTVWALQY-UHFFFAOYSA-N 489.047 5.805 30 20 JKED CC(C)n1ncc2c(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cc(-c3ccccc3)nc21 104782862 PZOAXDRXVWAKBT-UHFFFAOYSA-N 491.551 5.587 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2C2CCCC2)c1 247988422 JNAVJNVXHVHEDN-UHFFFAOYSA-N 485.009 5.285 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N[C@H](C)c1ccc(C)c(C)c1 255930358 GGJAXDZCNDEAMS-GOSISDBHSA-N 471.026 5.283 30 20 JKED C[C@H](Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1)c1ccccc1 255938097 LTZFVHDRFZLDCR-OAHLLOKOSA-N 452.605 5.349 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 303099684 KMYSMKDCWBKNIU-UHFFFAOYSA-N 452.558 5.134 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)c2)cc1 303225756 WRQNNHZUAUTKON-UHFFFAOYSA-N 457.917 6.165 30 20 JKED COc1cc(C)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1OC 303296267 CBWIYHSTMREASY-SOFGYWHQSA-N 458.486 5.328 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)s1 481686547 OQTBLYVMPVTTFX-UHFFFAOYSA-N 492.576 5.073 30 20 JKED COc1cc([C@H](C)NC(=O)c2cc(C3CC3)nc(SC)c2C#N)ccc1OCc1ccncc1 486506365 QPMZSBAKWRMBCU-INIZCTEOSA-N 474.586 5.026 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 489834735 IIQIMHYLIAPEHD-HXUWFJFHSA-N 461.537 5.196 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 490647973 KTHJERPVIKXFFV-FQEVSTJZSA-N 473.598 5.339 30 20 JKED Cc1ccc(C[C@@H](C#N)Sc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)cc1 494168194 HRAHQBBBDKUBEF-MOPGFXCFSA-N 465.644 5.051 30 20 JKED CCOc1c(OC)cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 495125821 CXDIQFWKFNTJSJ-UHFFFAOYSA-N 461.518 5.397 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 499489154 ZMVFPYKJKYHCLU-UHFFFAOYSA-N 488.547 5.394 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(F)ccc3-c3cccc(C(F)(F)F)c3)CC2)c1 501713209 BAUAVJGLHGOEMZ-UHFFFAOYSA-N 495.476 5.874 30 20 JKED CC(C)n1ncc2c(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc(-c3ccccc3)nc21 501721644 WYGSDNKJUFMYHK-UHFFFAOYSA-N 492.583 5.042 30 20 JKED Cc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)cc1F 502838466 BUCHSWHQPYKXGF-UHFFFAOYSA-N 466.744 5.658 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 506451966 CMQOMUFPGGIMTG-UHFFFAOYSA-N 496.498 5.240 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 508272146 GHDTWYJKMXWBJO-UHFFFAOYSA-N 496.567 5.192 30 20 JKED C=CCN(C(=O)CN1C(=O)COc2ccccc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 508676231 KYAZRNFCDVMCHE-UHFFFAOYSA-N 474.369 5.062 30 20 JKED C=CCN(C(=O)c1ccc(CSCC)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 510644787 FZWSXQZJLCODBE-UHFFFAOYSA-N 472.657 5.300 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 510857349 NFZBINGWOIZPON-UHFFFAOYSA-N 468.557 5.219 30 20 JKED N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1ccc(C(F)(F)F)cn1 513191863 WVDWQTIWEWHIBV-SFHVURJKSA-N 451.379 6.052 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c1 513202218 UGKAAYDVLQNXDG-IBGZPJMESA-N 456.546 5.272 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513209667 FLWRTFAYZHXLNW-AWEZNQCLSA-N 463.868 5.866 30 20 JKED N#Cc1ccc(CSCC(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 513682664 XWBMHTTZDRXTDB-UHFFFAOYSA-N 471.632 6.412 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3nccnc3-c3nc4ccccc4s3)c2)c1 515090946 FDUNWWBHNXUVOE-UHFFFAOYSA-N 463.522 5.456 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3ccccc3Oc3cccc(F)c3)CC2)c1 517453764 UZXCHRJYNLREML-UHFFFAOYSA-N 472.520 5.050 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cs2)cc1OC 517508311 IUPGGSPQPMGUIO-UHFFFAOYSA-N 471.538 5.672 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(COc3ccccc3Br)cc2)n1 517915617 KETKXFRRVAIEOG-INIZCTEOSA-N 485.359 5.151 30 20 JKED C=CCN(C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 518233515 JVJSCIPWSYBMGU-FQEVSTJZSA-N 491.555 5.077 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)n2)cc1 518516729 VFAYVVJFMZEUAP-WIOPSUGQSA-N 495.560 5.251 30 20 JKED N#C[C@@H](C(=O)c1cc(Br)cs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 519317084 PKEJAODRYTWXNE-NSHDSACASA-N 458.189 6.431 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 519451155 RNEAIMRTUPNXTC-FPOVZHCZSA-N 467.635 5.975 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)C4CCCCC4)CC3)cc2Cl)cc1 520051682 QFAILRIALPAJQK-UHFFFAOYSA-N 466.969 5.260 30 20 JKED C[C@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 520426037 SIYPQHPAHJKVDB-BEFAXECRSA-N 467.903 5.432 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2nccn2C)cc1 520598587 TUYWHKFUWPNOCN-XMMPIXPASA-N 453.502 5.004 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)cc2)cc1 521268328 IYDHPXJIHUPYID-UHFFFAOYSA-N 468.534 5.577 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 521366219 IXUGUKTZKYRPLJ-VWLOTQADSA-N 457.530 5.572 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)Nc3ccccc3SC[C@@H](C)C#N)cn2c1 521790022 QJFCRAOROXVOFW-IBGZPJMESA-N 456.571 5.726 30 20 JKED COc1ccc(C2(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)CCOCC2)cc1 523595907 NFKAQLAPCSVEJK-UHFFFAOYSA-N 487.575 5.166 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 524389671 VVIQJCAJAQJYLM-UHFFFAOYSA-N 456.571 5.368 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)cc2)c1 557739421 YEFYBWZYZGCRJW-UHFFFAOYSA-N 465.431 5.113 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2NC(C)=O)c1 589922313 QUCCDRYZCGVAPP-UHFFFAOYSA-N 498.004 5.240 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)C2)c1 603784720 KAEIXDDXXIKTLE-DEOSSOPVSA-N 467.569 5.245 30 20 JKED N#Cc1c(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)sc2c1CCCCCC2 603996614 XTXVFUHTKWTZSL-UHFFFAOYSA-N 454.573 5.098 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(Br)c2)cc1 604500487 JLUPEYVQVAZTNM-UHFFFAOYSA-N 450.336 5.416 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1 609079303 VHPFRBUYVAGKJC-AREMUKBSSA-N 455.558 5.659 30 20 JKED COCc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)oc2ccccc12 613346730 PAJKYXYFNPGVCZ-OAHLLOKOSA-N 457.338 6.500 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cc2ccsc2)c1 617403648 RYSQTLNGQZWWNT-KRWDZBQOSA-N 475.035 5.144 30 20 JKED CCn1cc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(C(F)(F)F)n1 622517419 IIFVTRRABBIBDW-CQSZACIVSA-N 489.338 5.173 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\[C@@H](C)c1cccs1 726419422 FDXWLPMZAKDDDG-YSEZWBPPSA-N 493.654 5.485 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 726696834 WIXKVOHFBSDFOW-RCZVLFRGSA-N 481.531 5.943 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc1-c1ccc(F)cc1 726732923 MOBIOHYZAYDIPB-KRWDZBQOSA-N 460.502 6.139 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCCC2)cn1 726888016 AHKDTIFVZOHZTN-KRWDZBQOSA-N 493.416 5.300 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(Cc3ccc(F)cc3)n2)n(C2CCCCC2)c1C 727020660 PPDRDJDTTWXFEV-UHFFFAOYSA-N 494.592 5.464 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)cc1 727649636 BONSKICSZGHVGZ-DEOSSOPVSA-N 484.581 5.058 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(F)cc1F 728424633 FPHTYDSUHWQYJQ-OYHNWAKOSA-N 494.523 5.021 30 20 JKED Cn1c(Cl)nc(Cl)c1/C=C1/CN(c2ccccc2)C/C(=C/c2c(Cl)nc(Cl)n2C)C1=O 728439880 GMSRSFFBVJYZOC-JMVBYTIWSA-N 497.213 5.324 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 728778072 PWLDQVZZGTVXCY-IBGZPJMESA-N 458.946 5.133 30 20 JKED COc1ccc2ccccc2c1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730584020 OQSDDYBKOYTBTP-UHFFFAOYSA-N 459.358 5.497 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cocn1 730710613 ORZNXEVBDOXPHX-QHCPKHFHSA-N 484.581 5.605 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCOCC3CC3)C2=O)c1 730944239 ULHMGKBTHVJHSG-JOCHJYFZSA-N 486.037 5.344 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1[C@H](C)c1ccccc1 731068517 AJPLBVGPDYWQFY-AZUAARDMSA-N 475.614 5.762 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2cccnc2)n(-c2ccccc2C)c1=S 745162322 LYXQMHWELIERSK-UHFFFAOYSA-N 472.574 5.328 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1 746697660 JCNSIZMRKZEYHM-HSZRJFAPSA-N 467.635 5.389 30 20 JKED N#CC1CCN(Cn2nc(CSc3nc4ccccc4s3)n(Cc3ccccc3)c2=S)CC1 747078967 PPZRFVBIQKEKMO-UHFFFAOYSA-N 492.699 5.557 30 20 JKED COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)cc1 747434773 QVSSHGRPBGVAAG-XTFSCAMASA-N 463.541 5.339 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2nccs2)C1=O)Nc1cccc(Cl)c1 747598856 FNQXUECEFOSISJ-GOSISDBHSA-N 488.997 5.139 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1cccc(C(F)(F)F)c1 747599127 GDQBGHVCLGMCFX-GOSISDBHSA-N 490.532 5.322 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 747804355 NOCBMIISOVYIAG-FYYLOGMGSA-N 452.599 5.463 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c2ccccc21 782020296 UROKUCVSCHYSRP-UHFFFAOYSA-N 471.127 5.603 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2C)c1 837348048 KETJYSWCUORBET-HSZRJFAPSA-N 477.561 5.303 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 914795895 JNMMJKATJAKPOF-RYUDHWBXSA-N 457.821 5.972 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(O)c2ccccc2n1)c1nc2cc(C(F)(F)F)ccc2s1 915104097 KILKWQXZZNBSFO-AWEZNQCLSA-N 456.449 5.163 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2ccccc2n1C(F)F 915104646 VFKNRRDEGKILHV-KSSFIOAISA-N 477.298 5.219 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104700 JEGDSIXAEYJTEW-WMZOPIPTSA-N 487.503 5.195 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2ccsc2)ccc1Cl 915287119 BJHBWZFIEPUFDB-UHFFFAOYSA-N 481.426 5.366 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C 915381056 KZKGFAWLWHRDKQ-LJQANCHMSA-N 459.424 5.089 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)cc1OC 916068158 GAVLGPVGEJKPQN-AKERNLMBSA-N 490.478 5.048 30 20 JKED CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC 916127005 UIQIBIBWWJLXTL-FNORWQNLSA-N 457.267 5.363 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F 916204544 AFYCGPGVCVLUJL-LJQANCHMSA-N 479.499 5.747 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CCCO2)C1=O 916211827 QTLJLWUZPHPIBR-FXAWDEMLSA-N 492.428 5.441 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCc3ccccn3)C2=O)c1 916215731 JJKZDGRVSHDQBJ-XMMPIXPASA-N 472.614 5.210 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 916310368 YKMNQVKEHRCXRP-UHFFFAOYSA-N 477.952 5.602 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccc(SC(F)F)cc1 916888144 SBJQFIZOXDDKDE-QGZVFWFLSA-N 490.919 5.375 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2)c(OC)c1 916902192 VSQZPBJGGXQMHC-LJQANCHMSA-N 478.932 5.206 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c12 916917602 DUHHIECDUPQBEJ-NRFANRHFSA-N 467.573 5.733 30 20 JKED N#C[C@@H](C(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 916928528 NFDLEFYWFDIGHQ-INIZCTEOSA-N 482.392 6.334 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1Cl 916941159 PVMASGVEIFUJNZ-NRFANRHFSA-N 489.934 5.916 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944456 DXWZGMZLGHNDHD-KRWDZBQOSA-N 494.787 5.952 30 20 JKED N#C[C@@H](C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1nc2ccccc2n1C(F)F 917039864 GDUZPTLXDHSZHR-KRWDZBQOSA-N 490.560 6.823 30 20 JKED COc1cccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)c1 917612148 KBFJRBOFFULCLT-UHFFFAOYSA-O 478.597 5.768 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2sc3ccccc3c2C)cc1 917612512 VQYCXJKMBRMIBM-UHFFFAOYSA-O 470.643 6.645 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc(C#N)cc1 917664677 LHXFAZGRHAOUHT-HSZRJFAPSA-N 490.535 5.305 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccnc(C)n3)C2=O)c1 917678729 FATNEUHMPQZDLU-QFIPXVFZSA-N 494.020 5.216 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(Cl)cc1Cl 917679503 MXBUHDJQGYJHGT-HXUWFJFHSA-N 494.444 5.188 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 917689773 ODBVXMLHRJFMAD-QFIPXVFZSA-N 494.020 5.161 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 917698849 IJTHMZZTOOKBNN-NRFANRHFSA-N 494.960 5.524 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(Cl)c1 918028193 VOEMYZIAXNBAFY-NRFANRHFSA-N 494.407 5.609 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(OC)c1OC 918492544 VEDFCNJCUYAZNL-KVHHZJNNSA-N 480.630 5.446 30 20 JKED N#CCCN(C(=O)COC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)c1cccc(Cl)c1 919296231 JBJBDAACCKCFJK-UHFFFAOYSA-N 479.669 5.769 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(C2CC2)[C@@H]2CCc3ccccc32)c1=S 919943725 SBFNZBMUYRLDON-ZJSXRUAMSA-N 460.603 5.222 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 920106349 NWJOXLSDEIWGTK-IBGZPJMESA-N 472.957 6.044 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 920110559 OCJLKJQFXGLZMV-CVEARBPZSA-N 490.799 6.000 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c(C)c1 920353454 JTOSAEMKXVJENI-HSZRJFAPSA-N 476.602 5.377 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccccc2F)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 920730084 ZPVWUJCGDPKLDA-ZDUSSCGKSA-N 469.563 5.335 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1C 920892059 IIOZVCOGDYOVRZ-UHFFFAOYSA-N 492.579 5.467 30 20 JKED CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 921235813 HKIYCPCDXYPUFO-UHFFFAOYSA-N 463.559 5.061 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 921241430 KPWFLZBFBRUZLY-UHFFFAOYSA-N 486.959 5.458 30 20 JKED CCCOc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OCCC 1122401760 FCNXITBQWNQROV-QGZVFWFLSA-N 465.575 5.343 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)CCc5ccc(C#N)cc5)cc4)CCC3)cc2n1 1785796876 XMFRKLBYBVINNE-UHFFFAOYSA-N 478.552 5.388 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C(F)(F)F)cn3)CCC2)cc1 1786103931 SLHUQRFRNBIXMB-UHFFFAOYSA-N 458.484 5.012 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)cc1 1786328538 MDTIHOLOUDZSIN-SXOMAYOGSA-N 479.580 5.047 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nc(Br)sc5c4)CCC3)cc2)CC1 1787880161 CMBGTKMUGKZVJQ-UHFFFAOYSA-N 495.402 5.110 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnn4c(-c5cccs5)ccnc34)cc2)CCC1 1788499968 ZWZHTZJWTKHTCZ-SFHVURJKSA-N 485.613 5.418 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cn4ccccc4n3)CCC2)cc1 1789508071 IZKKGRUYWJKGLU-UHFFFAOYSA-N 472.665 5.133 30 20 JKED CCSc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1790210194 WFFWTCKTRPCXJK-IBGZPJMESA-N 484.625 5.882 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1790344031 SHWHDILLTWJPGK-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCCC3)CCC2)cc1 1790472839 PRUZJBVGACBZSF-HSZRJFAPSA-N 481.637 5.008 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occc4n3-c3ccccc3)CCC2)cc1 1790565739 BEYZNQYCMKDDFI-HXUWFJFHSA-N 498.583 5.772 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)cc2)CCC1 1790651919 ZDXHMWZLZCLBOT-OAHLLOKOSA-N 478.898 5.145 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(OC)ccc3NC(=O)OC(C)(C)C)cc2)CCC1 1790692231 LQYRBVZTTJJREH-UHFFFAOYSA-N 491.588 5.203 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccco4)CCC3)cc2)cc(C(F)(F)F)c1 1790785440 NTYXZIMPKAGDRR-UHFFFAOYSA-N 481.474 5.551 30 20 JKED CCN(CC)[C@@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)ON=C(C)C)CCC2)cc1)c1ccccc1 1791126043 NGQXNHLRTXZUHF-PXDATVDWSA-N 478.637 5.005 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CC3CCN(C(=O)OCc4ccccc4)CC3)cc2)CCC1 1791198750 WOSXKKQJROSZST-UHFFFAOYSA-N 489.616 5.136 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)C4(c5ccc(Cl)cc5)CCOCC4)cc3)CCC2)CCC1 1791199638 QWDGYOVLRIRKOM-UHFFFAOYSA-N 492.019 5.216 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)cc2)CCC1 1791482473 YYXJUZREZUPUDN-YADHBBJMSA-N 465.391 5.100 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3c(C)noc3C)CCC2)cc1)c1ccc(O)cc1 1791646430 ONLHKOMPPNOBPA-HSZRJFAPSA-N 499.611 5.261 30 20 JKED Cc1ncc(/C=C/C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)s1 1791958247 QZIWJBJCPHRFIQ-WYMLVPIESA-N 470.598 5.103 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)s4)CCC3)cc2)c1 1792124739 FZMXMCFVKSBKKN-OAHLLOKOSA-N 464.978 5.485 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1)c1cc2cc(C(F)(F)F)ccc2[nH]1 1792944855 FAGHECRVOLGMLG-WKCHPHFGSA-N 499.920 5.144 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(-c2ccccc2)noc1C)c1ccccc1 1794956830 PTQFISYGPITRQL-XDZVQPMWSA-N 481.596 5.099 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c2ccccc12 1797984419 YUKCAMYOGOSMRV-FJIDUMEYSA-N 455.396 5.066 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1802501073 RQZCMBCAVVNDTQ-NLFFAJNJSA-N 491.035 5.595 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803986259 QVAMTAUAGCJTEL-PLISZXCSSA-N 477.571 5.225 30 20 JKED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccc(OCc3ccccc3)cc1)C(C)C)C2 1804188536 SSZGIHLHZOSTRW-BVXNIFABSA-N 472.629 5.057 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c(CC)nc4ccc(Cl)cn34)CC2)C1 1804858597 KACRIGNRJWAIMF-UHFFFAOYSA-N 485.072 5.387 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1805059824 DHXDSHWSYASGAP-BKMJKUGQSA-N 488.607 5.528 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)CC1 1808900793 DLICAKGGJXPBPO-GJZUVCINSA-N 476.596 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1809306698 UINNRADRAJSXRN-ZWEKWIFMSA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809443667 UUMLOCQLCCQNQM-UMEGOILYSA-N 494.060 6.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810168836 QUJBANQPGWGBJD-AVPJRLCVSA-N 496.051 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1810175176 STDZNUFLAXFPQH-SKVJQKLOSA-N 486.660 5.160 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)CC1 1811364660 FGTNGMYGPFGTCT-AHKZPQOWSA-N 472.633 5.074 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812508615 IYLUUNRADORPGD-PWWKTKHKSA-N 485.550 5.117 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1812789612 AUMGBCLTAVQRKI-HOWVIDBVSA-N 493.673 5.050 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1)C(F)(F)F 1812806919 IEAQYHRXGPPWLJ-TZIWHRDSSA-N 453.549 5.203 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1)C(F)(F)F 1813220692 DUIIRJJFDYSMKQ-VWNXMTODSA-N 499.577 5.416 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1)C(F)(F)F 1813768152 KOWAWXJWWVZLMS-HNAYVOBHSA-N 486.321 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c1 1813867302 CYXUYKZCKQSHNZ-BSDZUQITSA-N 484.581 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(NC(C)=O)ccc2Cl)[C@H]1c1cccnc1 1814000529 OHBHKRKGIXDCNY-GBXCKJPGSA-N 497.039 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1814261657 RWPFTRDEQIOSSE-BTSOFTLMSA-N 482.628 5.359 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 1814359938 CNOJNOXIWMFCOI-JOCHJYFZSA-N 459.550 5.139 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Br)c4ccccc34)[nH]n2)C1 1814395451 VGCRAPMQVRCMEX-JOCHJYFZSA-N 493.405 5.598 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)ccc2F)n[nH]1 1814614981 DCFVGKORJALLBA-UZLBHIALSA-N 489.389 5.386 30 20 JKED CC[C@H](C)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1815045131 GVLGDSGURCSANT-LIRRHRJNSA-N 461.488 5.042 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1815215100 DTQRDUULXVAJSZ-UUOWRZLLSA-N 476.552 5.113 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1815218813 UJMQRIPZIAJCQV-OSPHWJPCSA-N 494.542 5.252 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)s1 1816354528 XGMOBNRJFTZVBZ-GOSISDBHSA-N 487.507 5.290 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)cc12 1819055006 RGAOPTOFNVEBNX-XMMPIXPASA-N 489.696 5.556 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)[nH]n1 1819309568 XHMFNXXICMIJMB-HYBUGGRVSA-N 480.584 5.412 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)[nH]n1 1819309796 HSQPHJUFYTUHPI-RBBKRZOGSA-N 452.624 5.135 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cccc2F)[nH]n1 1819386813 KFCUIOUDLLEMNE-HXUWFJFHSA-N 472.612 5.045 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)n[nH]1 1820082631 XTCKDXDBMNEVGX-KOSHJBKYSA-N 482.588 5.471 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)[nH]n2)c1Cl 1820221331 UGHVEUPLYPIOQX-LJQANCHMSA-N 499.905 5.156 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3ccc(F)cc3)n[nH]2)cc1 1820315866 BEBTVIDABZPWKI-XMMPIXPASA-N 494.530 5.102 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)[nH]n2)c1 1820485792 FRLQZLSCTCHDOS-IBGZPJMESA-N 485.441 5.059 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cn1 1821274840 PNLUQSYIQAKJIE-OAQYLSRUSA-N 490.995 5.247 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cncc(C(F)(F)F)c2)n[nH]1 1822657141 PVDZRTXUHWHYOU-PZJWPPBQSA-N 489.542 5.217 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)CC1 1823216499 KNNCJQZMCRZUES-FIXDAVPBSA-N 461.610 5.559 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3Cl)CC2)cc1 1823683004 OXVAVPUXBSRFGX-JOCHJYFZSA-N 470.038 5.139 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)cn2)CC1 1823753935 PSZKJGNZRPCKAT-NRFANRHFSA-N 476.459 5.070 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1823888060 DHELYWWURIFXCJ-QHCPKHFHSA-N 495.023 5.310 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1823976199 WTBRZDFGMFXIPI-HHHXNRCGSA-N 493.598 5.022 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(F)c(F)c2)CC1 1823978869 OLSRNJVKAMJTAN-DHLKQENFSA-N 458.593 5.286 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1824240698 BLGNTCDMHBSQQZ-VSGBNLITSA-N 471.645 5.426 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827362734 GPJRGAUOTCYBRM-NDEPHWFRSA-N 479.624 5.549 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828152164 AAZMQRFFLHSCBP-OFVILXPXSA-N 468.041 5.823 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828254270 QAZGBANLXGKJIH-HSZRJFAPSA-N 467.679 5.830 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1828824408 JTXJNVKIMDUQKR-RPLLCQBOSA-N 461.650 5.489 30 20 JKED CO[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1)c1ccccc1 1828903977 LVOPJYJOZWVYDI-AHKZPQOWSA-N 482.741 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)ncc2F)CC1 1829066656 PQDYVLCSCWHFCT-FQEVSTJZSA-N 494.449 5.209 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)CC1 1829280686 LMQBVIDJYADEBB-NRFANRHFSA-N 469.651 5.629 30 20 JKED O=C(C#CC1(O)CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829700718 IDYUDCXWMLITCA-DEOSSOPVSA-N 497.035 5.018 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)c1 1829864581 FIGDLORAZFTDKK-HTAPYJJXSA-N 453.970 5.107 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830451830 HJMSIWVXJLEFQG-RSXGOPAZSA-N 465.544 5.032 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 1830545912 VYBHGXGHCHINFS-FQEVSTJZSA-N 499.371 5.115 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)ccc1F 1830567740 KTDDAUIJYPRWGO-DEOSSOPVSA-N 467.972 5.206 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830628230 RBKXZUXJCOVBIL-JIPXPUAJSA-N 473.617 5.178 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)CC1 1830633944 ZPSQNGIDTGDPIX-DFZDUAMZSA-N 463.666 5.448 30 20 JKED CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)CC1 1830686573 IGHYZFVGJFUTEV-HSZRJFAPSA-N 486.454 5.300 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccsc3)CC2)cc(C(F)(F)F)c1 1830754788 JGIQGGWKCRMPOD-OAQYLSRUSA-N 475.536 5.186 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830872820 IZIOGUSZANTLIH-XZOQPEGZSA-N 474.070 5.076 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1)C(F)(F)F 1831450855 GRYCDPIRMZAYLP-LJQANCHMSA-N 493.492 5.440 30 20 JKED CCCCC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(OC)c2)CC1 1831466170 PUXIMASXYUBDOY-CPJSRVTESA-N 453.627 5.017 30 20 JKED C[C@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CC=CCC1 1832406505 IZDUQCKEOGRTFZ-OZXSUGGESA-N 498.465 5.300 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1832651205 XTPVCERQJJEOQM-VMPREFPWSA-N 499.655 5.076 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832720293 UETCONQRINHLPV-IBGZPJMESA-N 455.813 5.294 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)CC2)CCC1 1832788580 XCZAGVJERXAULH-JOCHJYFZSA-N 487.566 5.051 30 20 JKED N#CCCSC1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)F)cc1 9031593 UVSQGYPXDRKKKE-LICLKQGHSA-N 468.312 5.985 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccc(Br)cc1 9145714 INXAGRIRDHCRDU-UHFFFAOYSA-N 475.437 5.346 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1Cl)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F 10826916 SFELUIXUBVVPTP-UHFFFAOYSA-O 457.953 5.835 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc3c(c2)CCCC3)c1 11126914 CBGYVDGUIPUTSL-UHFFFAOYSA-O 465.642 6.674 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCCSCc2ccccc2C#N)c1 15097011 HZMMHEGCOINFHU-UHFFFAOYSA-N 498.608 5.091 30 20 JKED C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16336831 WHZFFSVYRUKTTL-CYBMUJFWSA-N 487.651 5.611 30 20 JKED C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16920061 JPVOPRQFFZPDSM-ZIAGYGMSSA-N 489.432 5.188 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccc(OC)cc1 18974978 JYOSJELNJUZYTN-HSZRJFAPSA-N 494.617 5.338 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1C(=O)N1CCCCC1 21901041 XRYVPGDCDJCOJM-LJQANCHMSA-N 473.598 5.627 30 20 JKED C[C@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)N(CCC#N)c1ccc(F)cc1 23539462 UBKYRAOVTWCZNY-AWEZNQCLSA-N 498.630 5.290 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2ccc(OC[C@@H](O)COc3ccc(CC#N)cc3)cc2)cc1 27213566 WFDQOPOAPFIGQS-DEOSSOPVSA-N 458.558 5.121 30 20 JKED O=C(Nc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1)c1ccccc1F 107864240 FGVKPARFXWMCGX-CHWSQXEVSA-N 476.392 6.404 30 20 JKED C=CCN(C(=O)c1csc(-c2ncccn2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 108261765 PMLCDDFINGOYFV-UHFFFAOYSA-N 474.398 5.863 30 20 JKED C[C@@H](OC(=O)c1ccc2nc(Cl)ccc2c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 108761743 OGGVDYKQAJORTR-CYBMUJFWSA-N 453.951 5.274 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(F)cc2Br)cc1 117561963 YTNQIUXHZFKNNU-UHFFFAOYSA-N 469.310 5.251 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CCC2)ccc1Cl 303230500 XPNPQCAVXFCSDM-QFIPXVFZSA-N 477.001 5.265 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 303317639 SQKYMQOPTLVRFV-LLVKDONJSA-N 485.944 5.527 30 20 JKED C=CCN1CCC(NC(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)CC1 445051322 VCRQYAFCADXSFK-UHFFFAOYSA-N 450.008 5.053 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)c1ccc(C#N)cc1 480998382 HZKWXTJAFKMTHV-HNNXBMFYSA-N 453.420 5.185 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 482812446 MSBPGVYCFDHYNI-JOCHJYFZSA-N 456.933 5.832 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 484276299 CSNDHFIKMRXEBG-UHFFFAOYSA-N 469.585 5.960 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)c1 485992154 UOMWOEHACJPWRO-XMMPIXPASA-N 482.584 5.523 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3occc3CN3C(=O)Cc4ccccc43)cc2F)c1 486500591 UENNPEJEZCFSOH-UHFFFAOYSA-N 481.483 5.211 30 20 JKED Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(OCCCC#N)c3)ccc2C)c1 488490429 GWDRAAVOTHAMFA-UHFFFAOYSA-N 463.559 5.039 30 20 JKED C=CCc1cc(CNc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)cc(OC)c1OC 496031172 DKCOGZJDBRGCOJ-UHFFFAOYSA-N 480.779 5.551 30 20 JKED O=C(c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCc2cc(F)c(F)cc21 498311380 XIRBWLVFECFCMN-UHFFFAOYSA-N 455.301 5.050 30 20 JKED CCc1cc(O)nc(-c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)n1 498498633 FTOWMZZJADEKQV-UHFFFAOYSA-N 466.545 5.058 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c1 498553886 ICDUKKRFTBAVBG-UHFFFAOYSA-N 469.928 5.253 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(C(C)C)n(-c4ccccc4Cl)n3)n2)cc1 499192444 OBGNRKLERWTTGH-KRWDZBQOSA-N 477.977 5.666 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCn1cnc2sc(C)c(C)c2c1=O 500769091 QXYUGFQTZFMIPO-UHFFFAOYSA-N 458.543 5.076 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(CC(=O)N(CC)CC)cc1 502678762 HXZJIGCGTVXZLN-UHFFFAOYSA-N 476.390 5.219 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@H]3CNC(=O)Nc3ccccc3)c2)cc1 502735918 DJBPUMRGXKCNMC-QHCPKHFHSA-N 454.530 5.167 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)n2)cc1 502763126 NAWQALVUMFUNMS-SFHVURJKSA-N 463.444 5.376 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)cc1 502943849 CPGXBRNYWGWFRF-RUZDIDTESA-N 461.606 5.102 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc2c(c1)CCC(=O)N2 504753796 HAPSYCALZFWTBX-SFHVURJKSA-N 454.530 5.099 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nc(N)c2c(C)c(C)sc2n1 505107563 ASFZIMRHZHDFDI-CQSZACIVSA-N 487.054 5.754 30 20 JKED C[C@H](CC#N)N(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 505155128 PXCNGKKWCPYVET-CQSZACIVSA-N 460.390 5.094 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 506512666 OZPXVHNGSVKSJF-UHFFFAOYSA-N 480.612 5.770 30 20 JKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(C(=O)Nc2cccc(Br)c2)CC1 507030361 RQQSRFUWKHIZDO-UHFFFAOYSA-N 487.760 5.517 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 510275249 YMRNOWZBVBDOAC-IBGZPJMESA-N 493.523 6.388 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1OCc1ccc(Br)cc1 510628630 JETGZWQKADWXMH-GOSISDBHSA-N 477.314 5.668 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 511360435 GKTSMUWHTXRYGT-UHFFFAOYSA-N 489.019 5.771 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513174924 ANSBZNBAPUSERC-HNNXBMFYSA-N 451.857 5.588 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 513672106 OAJSCTPYCWXGBA-NRFANRHFSA-N 464.550 5.707 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 513787448 ZBYQQCRSRUIRQZ-UHFFFAOYSA-N 468.542 5.191 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513869238 ICARMTKRNOWWMK-QFIPXVFZSA-N 498.602 6.255 30 20 JKED Cc1nc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)sc1SCC#N 514577572 KEHRRMYYSUYLOC-UHFFFAOYSA-N 463.510 5.401 30 20 JKED Cc1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)cc1C 514768699 JMWHYFBEQGGHJD-CYBMUJFWSA-N 452.605 5.532 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1 516452676 ASURPBOPKFIBKI-JOCHJYFZSA-N 494.364 5.234 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 517533345 VXTISYOXDLOEOS-BFUOFWGJSA-N 496.391 5.065 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)c(C)c1 517601881 VQFYMHKFDNBEDX-UHFFFAOYSA-N 452.554 5.489 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 518159554 YCDQUWRQBXYFOW-AFMDSPMNSA-N 485.609 5.108 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 519432951 JLKPMQKCNKYLBB-KRWDZBQOSA-N 463.534 5.347 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 519515361 FELCJFPFWGGRPN-IBGZPJMESA-N 493.654 5.273 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)CSCc1ccc(C#N)cc1 521292969 CIFQGMMWFLCEJP-UHFFFAOYSA-N 483.515 6.010 30 20 JKED CC1CCC(OC2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)CC1 521746354 FZIRRMKULZAPMV-UHFFFAOYSA-N 461.606 5.923 30 20 JKED COc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)ccc1OCc1cscn1 524108624 KVABAKXEDDPUKN-XMMPIXPASA-N 485.565 5.304 30 20 JKED Cc1cc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)n2c(nc3ccccc32)c1C#N 603552891 IPQMRWMZDMXXNJ-MRXNPFEDSA-N 475.478 5.113 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCC(=O)Nc3ccc(F)cc3)cn2)c1 603622146 MAFYCCJCUZIUSG-UHFFFAOYSA-N 498.539 5.868 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 603638053 IQDSWRJZIHQQPR-UHFFFAOYSA-N 455.389 5.647 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)c2)c1 603701939 NFVKSBXVKFXOFB-NDEPHWFRSA-N 475.548 5.176 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(I)c1)c1nc2ccccc2n1C(F)F 603846326 OZOFHKXWVUHHEZ-SNVBAGLBSA-N 471.632 5.179 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)oc12 604140723 WWNBLVPECQBDDH-LJQANCHMSA-N 497.551 5.292 30 20 JKED Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)sc1-c1cccc(Cl)c1 608807002 FFJARFYTFRKUBK-UHFFFAOYSA-N 463.990 5.740 30 20 JKED CC(C)CC(=O)N[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 608959942 QBBDPIVJPRLNDE-MHZLTWQESA-N 455.558 5.174 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 609061688 VETUPWULUCPRGM-UHFFFAOYSA-N 461.521 5.950 30 20 JKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609079105 IXFAXCAKCNTULO-DEOSSOPVSA-N 455.558 5.693 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2F)c1 609104954 RHJSMSYUPGRIBC-UHFFFAOYSA-N 464.924 5.617 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cc2F)c1 609106525 NAALTCRGJQOUKN-UHFFFAOYSA-N 491.478 5.329 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c(Cl)cccc1Cl 609378793 ATVPPSNADJQWMM-UHFFFAOYSA-N 455.310 5.819 30 20 JKED CC(C)(C)n1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c(-c2ccccc2Cl)n1 609378963 FIXRQWCRLHXGLK-UHFFFAOYSA-N 461.997 5.183 30 20 JKED COc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1S(=O)(=O)Nc1ccc(C)cc1 609430635 RJKVBYYCMKFTSI-GOSISDBHSA-N 495.626 5.451 30 20 JKED O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301641 TWIIAWSWWCEKIU-PHIMTYICSA-N 459.312 5.094 30 20 JKED O=C(Nc1cccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1)c1ccc(F)cc1 618304662 XUCJJHBUCCIVRR-HUUCEWRRSA-N 462.365 5.281 30 20 JKED Cc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 619349845 BXYXAEZGXZZTGY-GHMZBOCLSA-N 452.317 5.531 30 20 JKED O=C(c1c(F)c(F)cc(F)c1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518271 ZMSZFPPVJVJALG-CYBMUJFWSA-N 475.282 5.494 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 642500644 BMDSLPDAYJGTLY-WOJBJXKFSA-N 465.594 5.327 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccsc2)C1=O 726113086 YCFRJQMYRCVMLR-BPMVYWJCSA-N 499.061 5.176 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)Cc2cccs2)cn1 726116763 KFYNAFBNXGMGNB-GCJKJVERSA-N 495.674 5.173 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCC(C)C)cn1 726119211 UBKZKBQLFXWZPB-QFIPXVFZSA-N 463.607 5.063 30 20 JKED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726300171 MZQNYNGWWLGMKI-ZHRRBRCNSA-N 466.368 5.335 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 726319291 FLGBKWSBXVRYLV-KRWDZBQOSA-N 492.894 5.269 30 20 JKED Cc1nc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)nc2ccccc12 726397127 GXUBEPUWEKGERY-QHCPKHFHSA-N 499.571 5.238 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)c1 726398803 VFHMJWBNTIGQOR-NRFANRHFSA-N 499.976 5.111 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)cc1F 726413162 WESCERWVQKAIMA-HSZRJFAPSA-N 492.576 5.007 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCC)cc2)[n+]2ccc3c(c2)CCCC3)c1 726573047 XQFPAFUEPCXEOK-UHFFFAOYSA-O 455.603 5.556 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(Cc3ccccc3OC)CC2)c1=S 726592165 VMSJCPAEGBUSKX-UHFFFAOYSA-N 464.635 5.196 30 20 JKED Cc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C)n1C[C@@H]1CCCO1 726626582 IIOKPGCSTKITPM-IDMJCQGXSA-N 458.008 5.215 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1=S 727424018 SQLPUBYFOIMWSR-FQEVSTJZSA-N 462.953 5.230 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cs1 727654585 NVIZNKOFTQTNFQ-XFXZXTDPSA-N 498.004 6.948 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1-c1ccc(OC(F)F)cc1 728705330 UJKDIQSVAAVTCN-UHFFFAOYSA-N 481.886 5.418 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729177144 SJMKKHLLPTXVTH-RRPNLBNLSA-N 451.570 5.280 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(NC(=O)OC(C)(C)C)cc3C(F)(F)F)cc2C1=O 729654964 BOCMMAPQWURMNB-UHFFFAOYSA-N 489.450 5.087 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 729892709 HSBXTYUKSWKJNT-FQEVSTJZSA-N 462.531 5.207 30 20 JKED Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(OCc2ccccc2)cc1 730439919 HDMCIUQDSSHMIQ-UHFFFAOYSA-O 494.596 5.762 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cocn2)c1 730726982 MDOBQYUDGUFUQV-OAQYLSRUSA-N 484.528 5.237 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 731060264 DUFFLXXOENCELV-GFCCVEGCSA-N 479.410 6.255 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O)Nc1cccc(O)c1 731304524 STZNEDWQXHXDMN-GOSISDBHSA-N 477.558 5.220 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 745058354 FWAIBYOXRHUYMN-UHFFFAOYSA-N 497.511 5.113 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 746697238 BXSCDJARZDBNKR-HXUWFJFHSA-N 477.989 5.256 30 20 JKED CCN(CC)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1 747198797 VXEJVCPEOZDKSX-HIXSDJFHSA-N 478.640 6.334 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 747317706 UWFKMPLTZBIDHF-VSGBNLITSA-N 495.529 5.659 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N([C@H](COCC(C)C)c2ccco2)C1=O 750911306 PFXBVHBZRNLAJY-QUCCMNQESA-N 492.041 5.031 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1 751084872 PTEXSMPHTZNENP-GOSISDBHSA-N 465.410 5.333 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(OCCCC(=O)O)c(Cl)c2)cc1 751270375 UQRMQSIXLOBNPG-NRFANRHFSA-N 484.961 5.040 30 20 JKED CCc1nc2ccccc2n1N=Cc1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC 767372541 GHNFDOMSMFAYRF-UHFFFAOYSA-N 451.530 5.351 30 20 JKED CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C#N)c2)c(Cl)cc1Cl 824147729 OCYZEQDDZKWDPB-NSHDSACASA-N 474.797 5.238 30 20 JKED CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)C2)ccn1 856632546 OZWSJPOZBRSKQH-HSZRJFAPSA-N 490.991 5.144 30 20 JKED C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCC2 858079434 HSVPKKBPVOUGKE-AEFFLSMTSA-N 478.643 5.270 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C2CCCC2)C2CC2)ccc1Cl 913203364 GCDQKGFEBJAJFW-UHFFFAOYSA-N 459.011 5.269 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC 914449744 IUVJTHAVSPAQHW-ABYGYWHVSA-N 497.595 5.027 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N([C@H](C)c2cc(C)sc2C)C1=O 914691821 TYAOXRNBVCOUMV-FZKQIMNGSA-N 450.029 5.156 30 20 JKED COc1ccccc1Nc1nc2sc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)cc2s1 915524915 VCJHDJUFKLLEIH-ZDUSSCGKSA-N 478.555 5.166 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCSC3=Nc3ccccc3)cc2)cc1 916033258 SOGDERWORWBPGR-UHFFFAOYSA-N 464.612 5.236 30 20 JKED Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 916055272 HWXXMJPCYHTVOD-UHFFFAOYSA-N 486.450 5.979 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1cccc(C)c1 916206664 RGYLZEQTMAOHNV-NRFANRHFSA-N 490.025 5.044 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCc3ccccn3)C2=O)c1 916212549 XPHOMUGUMUQSAC-QHCPKHFHSA-N 476.577 5.041 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 916277254 ARAZPJHRQLGUMM-UHFFFAOYSA-N 463.950 5.030 30 20 JKED N#C[C@H](C(=O)CCCOc1cccc2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 916846653 BAZPAGHDJSDEMF-LJQANCHMSA-N 457.555 5.464 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1Cl 916936860 BFFQNBCVLHBOEZ-SFHVURJKSA-N 469.324 5.395 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4cc(Cl)cc(Cl)c4)cc3)o2)cc1 916944802 NOXSEWDDTGIPMY-NRFANRHFSA-N 491.334 5.980 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)n2)cc1 916974009 CTDLBPGSJUUDCW-JOCHJYFZSA-N 459.571 5.344 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)n2)cc1 916974549 LQRVGNBYODDNMC-DLBZAZTESA-N 480.387 5.110 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nc2cc(Cl)ccc2s1 917045887 BYWGBIYBVKSBKU-CZUORRHYSA-N 477.895 5.193 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2cc(Cl)ccc2s1 917046217 HVBYVMLGKJZESJ-ICSRJNTNSA-N 494.403 6.341 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 917504603 FSRKHAYAZBYXLD-GOSISDBHSA-N 474.479 5.231 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C(C)C)c2)n1 917712098 DJZFCORORHDSHX-HSZRJFAPSA-N 491.592 5.208 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C(C)C)c1 917713804 QDRRYVKEBNOWQR-OAQYLSRUSA-N 475.561 5.085 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)c(C)c1 918040062 UIHHGLYMEKCYSY-XFMXRJAISA-N 470.639 5.121 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)OC)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 918556302 MRAPZIAGRDNJIO-UHFFFAOYSA-N 462.358 6.128 30 20 JKED N#CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)c1 918596412 GJRLGIQQRGVFJY-UHFFFAOYSA-N 483.549 5.309 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1C 918803786 JTHPCQQDCKMJSK-UHFFFAOYSA-N 483.593 5.571 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141823 LZNWMKCZYUWSMZ-IBGZPJMESA-N 475.371 5.653 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)n1 920326979 MPLFKWOSNVRWGB-YLJYHZDGSA-N 485.359 5.079 30 20 JKED C=CCn1c(S)nc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccc2c1=O 920463304 UOTIYJHBQALYHI-UHFFFAOYSA-N 468.538 5.096 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 920669794 AIXLKAQOZANXQT-ZDUSSCGKSA-N 490.368 5.324 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 920975198 GYEJYCAPFXKDPI-KOSHJBKYSA-N 472.976 6.005 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccc(F)cc4)cc3)CCC2)c(C#N)c1 1786027022 AYYMQTSLUOURQC-SXOMAYOGSA-N 497.570 5.186 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ccccc4c3)CCC2)cc1 1786363948 BNDDKDOFWTXRET-UHFFFAOYSA-N 456.586 5.499 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4cc(C)ccc4n3)CCC2)cc1 1786366026 HJAGKCHUDZRYGH-UHFFFAOYSA-N 457.574 5.274 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCc3cnc4ccccc4c3)CCC2)cc1 1786676534 OMBMXBYYLWTBPY-UHFFFAOYSA-N 459.615 5.221 30 20 JKED Cc1cncc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c1 1786856677 ZOMORJWULJXCPT-UHFFFAOYSA-N 472.976 5.296 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cnoc3C3CC3)cc2)CCC1)c1ccc(O)cc1 1787598437 PSPXXQAQMIPIPD-NRFANRHFSA-N 483.568 5.203 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ncccc45)cc3)CCC2)ccc1F 1788906534 RLYNLJXBCLPXFD-UHFFFAOYSA-N 478.527 5.236 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ccccc5)nc4)cc3)CCC2)c1 1789958329 KXBNOJVUIFIMIA-UHFFFAOYSA-N 461.525 5.010 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789995850 SZILCAPGLATHTQ-UHFFFAOYSA-N 465.553 5.979 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4c[nH]nc4cc3Br)cc2)CCC1 1790044036 PGTCKCWGANQOFN-UHFFFAOYSA-N 493.405 5.267 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC1 1790294476 BJTJYAFWAGJNLS-WHLCRQNOSA-N 493.579 5.043 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Br)cc3)cc2)CCC1 1790471750 NJJBVAOCTOVPGE-UHFFFAOYSA-N 484.394 5.046 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4sccc4c3O)CCC2)cc1 1790567192 IMXHCJFAGIPIFQ-MRXNPFEDSA-N 465.575 5.156 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CC[C@H]4CNc5ccccc5C4)CCC3)cc2)cc1 1790706257 TYRICSOLUDJYQX-HSZRJFAPSA-N 492.623 5.565 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccnc4ccc(Br)cc34)cc2)CCC1 1790837156 OCDZSZWXBQUOHL-UHFFFAOYSA-N 490.401 5.549 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccnc5ccc(Br)cc45)cc3)CCC2)CC1 1790837187 RAAMCPWXOZIZCP-UHFFFAOYSA-N 489.373 5.049 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791442786 PRFDCEWCWXWKPJ-PZGXJGMVSA-N 493.648 5.288 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(Cl)ccc3OC)CCC2)cc1 1791730882 XVVDHBBNYYZJSE-UHFFFAOYSA-N 452.982 5.219 30 20 JKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)[C@@H](S)C(C)C)CCC3)cc2)c1 1792192610 LKLCNBLUFHYGOZ-NRFANRHFSA-N 474.026 5.001 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCCC#C[Si](C)(C)C)cc2n1 1798420359 JXLKLGSIIAULPX-KOUNCHBCSA-N 496.127 5.500 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1 1800854449 KSDDBGSCQMLRMV-KOUNCHBCSA-N 489.497 5.208 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(Br)cc2c1 1800930945 RVZCBUSCWCOQHZ-CIAFKFPVSA-N 482.422 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)nc2)[C@@H]1c1cccnc1 1802345652 VPPDJNOUBGQCAO-URXFXBBRSA-N 462.638 5.086 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1802741141 FYNPGXUPBTXWGA-NTKDMRAZSA-N 493.394 5.202 30 20 JKED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1803523390 MXEYTDLKWUXIIX-ACDBMABISA-N 483.490 5.053 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CC2)C1 1806015989 BNKYUIHFSFQBDD-NRFANRHFSA-N 494.598 5.109 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)C1 1806067077 GFTYLWMODCAFIM-DEOSSOPVSA-N 486.628 5.431 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)Cc3ccc(CCCCC)cc3)CC2)C1 1806679555 XLSQIPVZWBAILS-UHFFFAOYSA-N 456.696 5.112 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808975337 KHCLSQLPBWWASG-IRPSRAIASA-N 497.715 5.606 30 20 JKED CC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1)c1ccccc1 1809016489 MZNOYZHWIZBRDX-QFIPXVFZSA-N 464.009 5.250 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1)c1ccccc1 1810409206 JOHIDGMNVHLYFM-ZFLFSAABSA-N 495.623 5.290 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1810503448 QCLSHLSCANXACD-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)nc2Cl)[C@H]1c1cccnc1 1810679430 ZOCQXOJSDJCXKB-YLJYHZDGSA-N 475.420 5.095 30 20 JKED CC[C@H](C)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811244942 QFMVUJRMGVQNTF-TVHSXNCYSA-N 479.624 5.237 30 20 JKED Cc1ccc(-c2ccccc2C(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CCC3)[C@H]2c2cccnc2)cc1 1811539145 PTUYCZRNHARXCF-IGKIAQTJSA-N 478.596 5.071 30 20 JKED Cc1ccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4ccc(CC#N)cc4)[C@H]3c3cccnc3)sc2c1 1812221659 RZXHOZXRRXMJMV-SQHAQQRYSA-N 494.620 5.304 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(Br)c2)[C@@H]1c1cccnc1 1812590511 QCIAMMDZJFEGRI-RRMPHLOHSA-N 490.829 5.029 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CC1 1812791941 JVOAPTVPIGHOOS-ICCROSPGSA-N 495.784 5.601 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1815216316 RTXHEKWAKQTLDY-IERDGZPVSA-N 489.601 5.070 30 20 JKED Cc1cnc(Cl)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1816622313 CCKHVEFPIYNNEA-IERDGZPVSA-N 476.968 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(OC)cc2)n[nH]1 1817773328 SDKPHMRKGSLHFG-RUZDIDTESA-N 499.615 5.555 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165481 YGVGOJHTHUGKTL-LJQANCHMSA-N 450.926 5.042 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C(F)(F)F)nc4ccccc34)n[nH]2)C1 1819192430 SLIQROPJANTNON-FQEVSTJZSA-N 483.494 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)[nH]n1 1819303090 CPUBOOWQCCHUHB-CTNGQTDRSA-N 489.542 5.217 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)[nH]n1 1819304098 ZEMXICRHTPZWSU-QFBILLFUSA-N 473.021 5.089 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)[nH]n1 1819309283 QVASBACBKQJIGH-OZXSUGGESA-N 497.599 5.359 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cnc3ccccc3c1)CC2 1819594455 MCQSXHKSZATATP-NHCUHLMSSA-N 474.630 5.005 30 20 JKED Cc1nc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)o1 1819803750 ZZHFMSPVTDLADR-VWLOTQADSA-N 493.567 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(NC(=O)CCC)c(C)c2)n[nH]1 1820174705 WFXNYGNCQSXUIM-QPPBQGQZSA-N 491.636 5.531 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)c3ccc(Cl)cc3)[nH]n2)c1 1820206498 WFUGHOUMLVVIJT-WAIKUNEKSA-N 491.979 5.053 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1 1820977267 VPIAZXCDFCZEAK-FOIQADDNSA-N 494.423 5.142 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)[nH]n2)CC1 1820978647 RVNAZJKSNPLJDS-JOCHJYFZSA-N 487.608 5.070 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)[nH]n2)c1 1821323907 FJTYYJZBPDDZON-RUZDIDTESA-N 480.572 5.010 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1)c1ccc(O)cc1 1822466465 DXFALWIXSXZKBO-VSPOGIRPSA-N 474.605 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c1 1823135901 RYSDTKJHYNAGDM-BVZFJXPGSA-N 467.573 5.534 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1823423659 IOQPFLYEQMRUDV-QHCPKHFHSA-N 465.557 5.049 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cc(F)ccc3Br)CC2)C1 1823697008 DJHVAXQMPCXJDD-QHCPKHFHSA-N 491.445 5.107 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2OC)CC1 1823751014 HIKMXDCGTVCVQS-XMMPIXPASA-N 454.655 5.240 30 20 JKED Cc1cc(Cl)c(Br)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C#N)CC1 1823885327 PRBLJYVUWSHKQF-FQEVSTJZSA-N 494.861 5.194 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c(F)c1F 1824053939 APJUCPYDPQDDLW-XMMPIXPASA-N 479.571 5.011 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1824145207 VXWBSKJNIKSJCI-QHCPKHFHSA-N 491.047 5.418 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1824510087 JJGNCEMCIXGMCE-DFBJGRDBSA-N 484.040 5.021 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1Cl 1824932703 XQVCDZUKSLKUJU-DEOSSOPVSA-N 494.010 5.316 30 20 JKED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)CC2 1825124771 LNDROEAHSUBIJX-WBVHZDCISA-N 474.586 5.322 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1825434937 MRCGNYCQIBTBHI-RUZDIDTESA-N 472.633 5.106 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1825766601 RKHOAUWUKAUDQO-AREMUKBSSA-N 496.611 5.263 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(-c4ccccc4)noc3C)CC2)c1 1825767114 ZYYGWHMUSNLKEW-AREMUKBSSA-N 496.611 5.377 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC#N)CC2)c1 1826693218 BLQCUXPQUALIMM-JOCHJYFZSA-N 474.443 5.110 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1828829556 DKOBSMAQKAECSX-NVQXNPDNSA-N 480.052 5.890 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(OC)cc2F)CC1 1828830508 ODHJORIIUSSGEJ-GSPOCWLCSA-N 468.613 5.236 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1828886011 TYERXOWUYJEHHC-SVBPBHIXSA-N 492.635 5.299 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)CC1 1829688158 SJDVARGASAGBMC-AHKZPQOWSA-N 472.633 5.145 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689312 ALVUQDJMEPMUCC-OAQYLSRUSA-N 497.064 5.266 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1829693041 TYTKHGGFVHGGNG-KKLQWCBXSA-N 456.030 5.271 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(Cl)c3)CC2)CCC1 1830515753 RIKRIQCOQWKYEJ-HXUWFJFHSA-N 492.845 5.030 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)cc1 1830628156 OLLJMWRZZAVAIM-VWLOTQADSA-N 481.999 5.021 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(C)cc3F)CC2)c1 1830771359 VKEPTXBXIOSHHY-VWLOTQADSA-N 465.544 5.000 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831306411 CPAJVISTIHQKHM-AZGAKELHSA-N 457.058 5.503 30 20 JKED CC(C)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1831382460 UXKMRQJHBKWDIV-QFIPXVFZSA-N 463.544 5.247 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1)C(F)(F)F 1831455763 PHYMIMMBBQIKCZ-SFHVURJKSA-N 480.424 5.196 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1831589288 BRKNDXDNUBIGGU-FXKPEZSLSA-N 485.628 5.269 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1832028270 NZQRXZSUWABQRU-MHZLTWQESA-N 471.645 5.484 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1832028606 YLYSQDLFTCWUMD-MUUNZHRXSA-N 496.655 5.657 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)CC1 1832040572 ZYFIFYKRNOVSFY-DQEYMECFSA-N 454.680 5.339 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)c3cccs3)CC2)cc1C#N 1832146954 FYQCIBSITXNEOW-RDPSFJRHSA-N 493.673 5.444 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)c3ccccc3)CC2)cc1C#N 1832704585 OPBTWAVHBALIBE-AMGIVPHBSA-N 487.644 5.382 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1832827872 HNHBZGAKCPOLLI-IXCJQBJRSA-N 478.583 5.531 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3c(C)cccc3C)CC2)CC1)c1ccccc1 1838416918 XBNQRJCYUCAORY-NDEPHWFRSA-N 486.656 5.113 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cccc(C)c1)C2 1841057074 QTDFWRXFKIILSQ-QHCPKHFHSA-N 497.680 5.147 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 1845345373 KAEUIAVUIWESGF-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1 1845450953 KIXRSWWBHKWPTA-UHFFFAOYSA-N 456.590 5.039 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)C2)c(Cl)c1 1846279223 ZOOQUTLRXOYVNT-UHFFFAOYSA-N 488.802 5.067 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2cc(Cl)cc(Br)c2[nH]1 1847532570 ZLVLVAUVCPQJAG-PMACEKPBSA-N 490.829 5.168 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 9073524 OFBYMXDIOHJAEB-UHFFFAOYSA-N 458.583 6.078 30 20 JKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2cccc(CO)c2)c(Cl)c1 10178914 SHORIJKRQCSWEH-UHFFFAOYSA-O 460.044 5.466 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 11249786 BAJPVECMAHDXFB-UHFFFAOYSA-O 463.573 5.671 30 20 JKED C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)c1nc(-c2ccccc2)cs1 14723615 BUCMEHIGNFKEAF-UHFFFAOYSA-N 495.670 5.047 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(C(CC)CC)cc2)c1 14872206 RJWDDDXEDXJPQH-UHFFFAOYSA-O 472.099 7.206 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 15245540 NXHIIHFVIOQAEY-HSZRJFAPSA-N 491.016 5.110 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C)ccc1Cl 15992748 SDYGHWVVNQLOBG-UHFFFAOYSA-N 454.979 5.590 30 20 JKED C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 16791801 ALMAFSJLGWEFKX-SNVBAGLBSA-N 463.744 5.143 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 18890474 KCUYJVXNGUEDIZ-UHFFFAOYSA-N 461.008 5.055 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2ccc(Oc3ccccc3)cc2)c1 22730160 KGULDGYYEGOCIM-UHFFFAOYSA-O 459.616 6.496 30 20 JKED CCCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(Cl)cc1 26007368 UFABGZSOLDQRBT-IBGZPJMESA-N 494.045 6.101 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(Cl)cc1 26565161 KGCQSJHNUKFNHK-INIZCTEOSA-N 495.992 5.539 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 28381583 LGMNCMKLEFPNOX-UHFFFAOYSA-N 486.622 5.350 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 29720988 NIGYUSRSJASYMG-QFIPXVFZSA-N 468.479 5.805 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(-c2csc(C)n2)c1 32786910 VTDXYBYPFQWPKA-UHFFFAOYSA-N 461.616 5.218 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 60017568 NSMYYPZEJXZQKL-UHFFFAOYSA-N 463.002 5.841 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nncs4)c3C#N)C(C)(C)C2)o1 96504293 QLPCEBMDGVBZMW-ALCCZGGFSA-N 468.629 5.882 30 20 JKED N/C(=N/OCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(N2CCCCC2)nc1 109439575 UVCYFUROODKRPC-UHFFFAOYSA-N 461.513 5.051 30 20 JKED N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 195687258 ANIAIAFJRNSNAK-IXCJQBJRSA-N 483.637 5.088 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c2ccccc21 255926867 NRLRHLUMBODFPZ-UHFFFAOYSA-N 459.575 5.887 30 20 JKED COCCOc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 302989046 RMGHWYDDYXZJFI-UHFFFAOYSA-N 452.963 5.781 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 303199645 YZMHKWVGRJBJFV-UHFFFAOYSA-N 485.547 6.218 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)C2)c1 303223584 VNZCKBMTXQDDSX-SHQCIBLASA-N 482.584 5.199 30 20 JKED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483551890 FQYMJSMZZNNHOG-UHFFFAOYSA-N 469.541 5.628 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 484591076 NABINPLSCWADAY-UHFFFAOYSA-N 478.346 5.100 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COc4ccc(C(N)=O)cc4)c3C#N)C(C)(C)C2)o1 498047848 RWZCZCUFHHSKSQ-UITAMQMPSA-N 487.581 5.416 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)ccn2)cc1 500220354 WSJIXTFASIXBNG-UHFFFAOYSA-N 472.423 5.017 30 20 JKED O=C(C[S@@](=O)Cc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 501263990 QKNUHHFAMJTHSZ-LJAQVGFWSA-N 461.786 5.404 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1)C(=O)N(C)CCC#N 501603983 DTHKUGINHYBSAR-AWEZNQCLSA-N 493.942 5.459 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 508585421 BRCWNVZIKMOMJM-QIJUGHKUSA-N 451.954 5.022 30 20 JKED CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(C#N)cc1 509600202 LARJGNOUVUUZBL-FQEVSTJZSA-N 479.540 5.471 30 20 JKED CC(C)CNC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Cl 513999432 MMTIUUNGUCGSFL-UHFFFAOYSA-N 492.982 5.971 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc1 514967668 DCIZYOICEHFUOH-UHFFFAOYSA-N 461.547 5.436 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)o1 515674582 RPYFYBLDFCKIKO-UHFFFAOYSA-N 467.481 5.243 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516012709 TUXDYPHYYBWCBF-FQEVSTJZSA-N 485.893 5.611 30 20 JKED Cc1cccc(C)c1OCCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516289804 OJVLWQWSCACNMR-HSZRJFAPSA-N 475.976 5.136 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H](C)c1ccc(F)cc1 516439314 JIXHZBPYUCGJPR-INIZCTEOSA-N 465.912 5.691 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 517524689 FIXQMRHQQAKLQT-BTYIYWSLSA-N 470.019 5.640 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)n2)cc1 517800886 NELFKCMYHAVVJS-FQEVSTJZSA-N 466.522 5.754 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4F)c3-n3cccc3)n2)cc1 517801063 WRHPUKCJJHANNY-LJQANCHMSA-N 483.528 5.424 30 20 JKED CC(C)(CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1c(Cl)cccc1Cl 517910791 PZUGQLWAVOGSDD-UHFFFAOYSA-N 473.404 5.203 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2Br)no1 519093548 BOMSDMNCQXIBAJ-UHFFFAOYSA-N 454.324 5.378 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521208761 CSNCFHVYPKKZLK-QFIPXVFZSA-N 481.621 7.188 30 20 JKED CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc(C3CC3)nc21 521498823 MHOMESBVBBKBPP-SANMLTNESA-N 465.557 5.463 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cc2)cc1 524305525 SBLDVNILBKCVJC-VWLOTQADSA-N 486.959 5.984 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3c4ccccc4CC[C@H]3C(=O)Nc3ccccc3)o2)cc1 524392390 GGOMMDBSDZHOTJ-SANMLTNESA-N 477.520 5.331 30 20 JKED O=C(Nc1ccc(F)c(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 594416562 ANZDWWHFPBYDIR-UHFFFAOYSA-N 452.717 5.408 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)nnc2N2CCCCC2)cc1 598892779 KDIZPRDLUSSZDA-HXUWFJFHSA-N 492.624 5.133 30 20 JKED N#Cc1cc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)ccc1Cl 603697389 LFDWWVZKHVUWAZ-LJQANCHMSA-N 477.351 5.233 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 603738429 BQRBLBOIUMMUPD-UHFFFAOYSA-N 473.536 5.633 30 20 JKED CCOc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OC(F)F 603829201 NDWCNZTVHCFYHV-UHFFFAOYSA-N 454.433 5.067 30 20 JKED C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1Cl 603982692 QBTVKOWKLBWOJM-CYBMUJFWSA-N 485.915 5.046 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccc2)c1C(C)C 609061485 ORTPVIGOCNGYSW-UHFFFAOYSA-N 450.542 6.007 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609079870 MWTHPQWVUFVRCP-UHFFFAOYSA-N 462.481 5.135 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609124455 XWFFJDRAZYRRRI-UHFFFAOYSA-N 486.330 5.180 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 613007777 DAJZZAAFWFQRJD-UHFFFAOYSA-N 462.571 5.240 30 20 JKED O=C(Nc1cccc(C(=O)Nc2cccc(F)c2)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 613143569 RYFMUNAONXRGDA-ZIAGYGMSSA-N 491.407 6.109 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccc2ccccc2n1 613290457 DVQLGHCOOXEKPG-JOCHJYFZSA-N 457.599 5.513 30 20 JKED C=CCn1c(SCc2csc(-c3cnn(C)c3)n2)nc2scc(-c3cccs3)c2c1=O 613827633 NQDLMFBVUHJRNY-UHFFFAOYSA-N 483.669 5.522 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)nnc1-c1cccnc1 613991982 VXKQQVYPPPCVJX-FQEVSTJZSA-N 453.587 5.051 30 20 JKED O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618295225 HENFNBURXNCGRL-HUUCEWRRSA-N 469.347 6.575 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 623174024 JQGORVITMFGTMC-LJQANCHMSA-N 475.643 5.395 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3nc(C)oc3c2)nnc1-c1ccc(Cl)cc1Cl 641964858 WKCYATFQMNCRJX-UHFFFAOYSA-N 474.373 5.618 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(C)nc21 725960528 OPWNFLRWOUIKAY-HZPDHXFCSA-N 479.606 5.097 30 20 JKED Cn1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1-c1ccc(Br)cc1 726322865 PTWQDJKATRRSAG-OAHLLOKOSA-N 469.289 5.689 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 726398645 LJWJVQZYQKUULG-ZUOKHONESA-N 495.979 5.312 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3ccco3)C2=O)c1 726407419 REKOMZIJVSALAY-QFIPXVFZSA-N 492.988 5.582 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(Cl)ccc2Cl)c1 726571007 BZTSEDCJOALQSH-UHFFFAOYSA-O 475.808 6.438 30 20 JKED Cc1ccc(N(CCC#N)C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 726939986 APEPBXCHXCXMFX-UHFFFAOYSA-N 476.374 5.499 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(NC(=O)CN4CCCCCCC4)cc3)o2)cc1 727996460 UJNQJAHRGVZHIF-UHFFFAOYSA-N 486.572 5.187 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccsc2)c1Cl 728429287 GTQOALYUXRUTDC-OAHLLOKOSA-N 468.431 5.164 30 20 JKED O=C1/C(=C/c2ccc(-n3cncn3)cc2)CCc2nc(-c3ccc(Br)cc3)sc21 728438623 IVZZCRVYGBVSRR-LFIBNONCSA-N 463.360 5.366 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c(C)c1 729141483 ACCPUYDZUYAKBH-HXUWFJFHSA-N 464.616 5.229 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@@H](c2ccccc2)C2CCC2)C1=O 729143808 RDRMPCJTBQAKMU-FPOVZHCZSA-N 459.974 5.088 30 20 JKED CC(C)(C)CN(CCC#N)Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O 729468016 LLJLKILFTVPCKM-UHFFFAOYSA-N 453.384 5.045 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2F)cc1 729818731 FTAREFQXNHMEGZ-HSZRJFAPSA-N 472.545 5.166 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1 730522797 RDRNYRUDCOXRLL-NRFANRHFSA-N 451.523 5.142 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3cccnc3)C2=O)cc1 730943267 AYNWYMZDWBANCO-HTAPYJJXSA-N 479.005 5.765 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730945581 USLLWWZNVVPLAX-GAJHUEQPSA-N 476.577 5.505 30 20 JKED COCc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)sc2cccc(F)c12 731071351 YANKIWQLAUVNFC-AWEZNQCLSA-N 472.563 5.377 30 20 JKED CC(C)(C)n1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c(-c2ccccc2Cl)n1 731088764 SORGAEJOLKBANP-UHFFFAOYSA-N 471.344 5.279 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)CCc2ccco2)cc1 731305767 PAMJBMYCHCXNAL-MBSDFSHPSA-N 477.586 5.275 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731400883 XDGVRVDTOGEQEL-BWKNWUBXSA-N 490.604 5.994 30 20 JKED Cc1cccn2cc(COc3ccc(C=Nn4cnnc4SCc4ccc(Cl)cc4)cc3)nc12 744998844 DZAYKIXYYRKOFO-UHFFFAOYSA-N 489.004 5.641 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3ccccn3)C2=O)cc1 837301274 IJVNOTWIFVIEMD-CYFREDJKSA-N 488.613 5.510 30 20 JKED CCOc1ccc(-c2nc(CSc3nc(O)c(C#N)c(-c4ccc(OC)cc4)n3)cs2)cc1 912659056 AMXYZAUXDWCDAF-UHFFFAOYSA-N 476.583 5.544 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915104595 SWKKWEXMKDAENR-OAHLLOKOSA-N 457.843 5.267 30 20 JKED N#Cc1c(NC(=O)COC(=O)CCCc2ncc(-c3ccccc3)o2)sc2c1CCCCC2 915508608 ZHLACABXDOOATL-UHFFFAOYSA-N 463.559 5.048 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(C#N)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916135215 KUFNIHGCSKNBMT-WQLSENKSSA-N 480.442 5.499 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccc(F)cc2)cc1 916214221 LFGFHTDQBSJDNR-HSZRJFAPSA-N 493.560 5.003 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccccc3)C2=O)cc1OC 916214825 BMDJECYMVIWHKR-XMMPIXPASA-N 489.597 5.173 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccccc1Br 916349715 TVWJEFSZDYYEQP-UHFFFAOYSA-N 487.814 5.085 30 20 JKED CC(=NNc1ncnc2sc(C)c(C)c12)c1ccc(OCC(=O)Nc2ccccc2C)cc1 916594627 GVEHLBKFHCMLIJ-UHFFFAOYSA-N 459.575 5.470 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@H](C#N)c4nc5ccccc5n4C)cc3)ccc12 916627322 MUIUGKKQPJDPBC-QFIPXVFZSA-N 463.493 5.057 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)CC1 916697256 OOYYDQBYCYYUBC-HNNXBMFYSA-N 492.432 5.064 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916946157 MITGEIZWWKOZRO-SFHVURJKSA-N 462.333 5.230 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916946414 TZFIZBYYWZMNDU-FQEVSTJZSA-N 475.763 5.339 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 916951255 XYSJBIGZGRFSPG-UUOWRZLLSA-N 453.542 5.722 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 916973961 AXFXJOUMZFJKIL-UYAOXDASSA-N 483.515 5.362 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975782 FKMBWFAIFHUWSL-XHDPSFHLSA-N 479.758 6.009 30 20 JKED CCCCN1C(=O)C[C@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)[C@H]1c1ccc(OC)cc1 917046102 FISZTOBEAKXACX-YCRNBWNJSA-N 482.005 5.524 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c12 917119542 LFFPLFWNSAQVCR-VWLOTQADSA-N 457.537 5.852 30 20 JKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2c(C)nc3sccc3c2=O)cc1C 917580864 VLDVJFJMHDQIMC-UHFFFAOYSA-N 453.571 5.177 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccsc3)C2=O)c1 917682861 KUYPDCIXUZHAAX-NRFANRHFSA-N 465.600 5.226 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C#N 917701679 AIXRVWZCZWTROY-IBGZPJMESA-N 474.508 5.337 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704402 UEQSKTJXECMMFU-AOMKIAJQSA-N 492.601 5.350 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 917797975 LBJPORKLZFFOOW-XTEPFMGCSA-N 497.595 5.042 30 20 JKED COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(I)cc3)cs2)cc1 920064695 JGBFNBGIKPWVHZ-IZZDOVSWSA-N 477.323 5.231 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 920106268 WBANZUHCQGUDMG-JTGQJZMRSA-N 464.365 6.119 30 20 JKED C[C@@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 920636044 QXDDEVIUWAVVHP-GFCCVEGCSA-N 490.384 5.017 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCc2cccc(C(F)(F)F)c2)cc1 920787725 OKIIHZUSEMZXEB-QHCPKHFHSA-N 465.475 5.048 30 20 JKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 920788968 ZNHZJJHFSZFVIW-AREMUKBSSA-N 474.564 5.386 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CC2CCC2)C1=O)Nc1ccccc1C(F)(F)F 920927061 HGXOGMAROBUTIK-LJQANCHMSA-N 497.489 5.744 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 920986374 GGFPWWVLQLZAGY-FQEVSTJZSA-N 497.418 5.044 30 20 JKED CO[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C 1711570748 DBNSVRNNYMGTIC-INIZCTEOSA-N 482.444 5.000 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1 1787658735 SXUGOZNFLQKZDH-OAQYLSRUSA-N 471.642 5.416 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)NCCC#N)cc2)CCC1 1788030520 LWWJKEICNKHVHA-UHFFFAOYSA-N 487.431 5.331 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc(C(F)(F)F)c[nH]3)CCC2)cc1 1788649460 JDWGOUCGZYXEBD-CMDGGOBGSA-N 487.503 5.282 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4ccc(Br)cc4n3)cc2)CCC1 1789363890 QJQLYPLBHHBTRG-CQSZACIVSA-N 484.419 5.063 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]nc(Br)c4c3)cc2)CCC1 1789379567 IYOOQXUBXWCLHQ-HNNXBMFYSA-N 481.394 5.285 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4ccc(F)cc4)CCC3)cc2)c1 1790147360 OPBKJVSBCYYSBZ-UHFFFAOYSA-N 479.515 5.149 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4onc5ccccc45)CCC3)cc2)c(Cl)c1 1790767689 HULLBPFFGYAEBL-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1 1791321582 ZAQMCNHCHDYARP-WHLIWEHUSA-N 495.664 5.416 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(F)c(F)c(F)c3)cc2)CCC1 1791504159 SWVNSYZWQYUSLX-YKXBDCQTSA-N 473.495 5.052 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/c3cnc(C)s3)cc2)CCC1)c1ccc(O)cc1 1791959989 GFDQOWHIEODION-FRFYRWIFSA-N 499.636 5.502 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1792303110 RJRFBADCPOMUGZ-XYWHTSSQSA-N 483.653 5.416 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccc(Br)cc3n1)C2 1798335167 YHXNIWUURFBPSY-WOZUAGRISA-N 482.422 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCC(=O)OC(C)(C)C)C2 1798340372 WUHZHBAULSAVFL-KAOXLYBCSA-N 460.659 5.075 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1)c1ccccc1 1799326482 OIJHHTYHTLWILK-KAOXLYBCSA-N 474.988 5.535 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2)cc1Cl 1799602938 JZLGTVWTJAEOEK-ACDBMABISA-N 486.399 5.218 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1 1800666018 SCDONPUHPMVEJL-OOICKAIWSA-N 468.688 5.185 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)C2)c1ccc(O)cc1 1802409983 BVUUNMJNKTXZKY-GPJHCHHRSA-N 476.617 5.040 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1803216217 ASURIMODBATKJD-KWXIBIRDSA-N 459.634 5.296 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1803861622 CGLQHHRFQCUOMR-BJWYYQGGSA-N 488.403 5.429 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)COc3cccc(Cl)c3)C2)CC1)c1ccccc1 1805209076 LIVFTGLIVFZSCY-SANMLTNESA-N 493.047 5.147 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810070277 KSDUUDYIROTBKD-CYFREDJKSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1810500021 KVDWNUKIRGVTJR-NTKDMRAZSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)[C@H]1c1cccnc1 1810503104 OCSCVJWQELVYRC-RDGATRHJSA-N 458.606 5.183 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1811287799 YAKZELNOWPOUND-RLWLMLJZSA-N 484.625 5.062 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)[nH]c12 1811741735 BOABODSZEJMDLU-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812667889 FREHTLCVNCDGMH-IEFMPQHVSA-N 493.476 5.031 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1 1812808180 FHXHCYLPLFXPMU-RSXGOPAZSA-N 460.622 5.269 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)[C@@H]2c2cccnc2)cc1 1812955509 BDBKEQJCIQFURE-WYMJOSIYSA-N 481.706 5.017 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2F)[C@H]1c1cccnc1)c1ccccc1 1813744578 MXWNGJJZHDFUDD-PNIUZAESSA-N 483.587 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1813955237 QUCVTPJXTKHKNG-ZJSXRUAMSA-N 485.550 5.497 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)[nH]n1 1814742390 BRQSETMQLYYSKN-QHCPKHFHSA-N 499.958 5.076 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)[nH]n1 1814824467 UDPHHPPPQOBSRF-JOCHJYFZSA-N 471.001 5.075 30 20 JKED Cc1ccc2[nH]cc(CC(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)c2c1 1815792015 BJGZCCVONSUVRA-AFMDSPMNSA-N 494.599 5.375 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4[nH]ccc4s3)n[nH]2)c(Cl)c1 1818790185 DBYIPKCNQVFFRY-GOSISDBHSA-N 478.965 5.097 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)n[nH]2)C1 1820148726 BNDMRRSKUSZZEQ-DEOSSOPVSA-N 479.584 5.602 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)cc1 1821039297 ZVFKWGIMEWNKBK-QFIPXVFZSA-N 479.943 5.013 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c1Cl 1821183377 YAFMGNIRJRASPT-OAQYLSRUSA-N 461.953 5.057 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821202850 XMJOHWACBSGCDB-MRXNPFEDSA-N 471.385 5.081 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821270709 BMCXMKKAJJHUEQ-OAQYLSRUSA-N 465.916 5.002 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(F)CCCCC3)[nH]n2)cc(C(F)(F)F)c1 1821309884 DLYHVXCTJLXRGJ-LJQANCHMSA-N 491.489 5.278 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)o3)[nH]n2)cc(C(F)(F)F)c1 1821310356 QQNKWAACLRLNNT-INIZCTEOSA-N 491.857 5.166 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(Br)s2)n[nH]1 1822728041 NSDHNQDCIVKSBB-CFFMAPQLSA-N 477.428 5.151 30 20 JKED C[C@]1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CC=CCC1 1822981926 XAZVOVPCJYFIKX-RDPSFJRHSA-N 496.409 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)ccc2Cl)n[nH]1 1823129111 GEGXGJVJJWVZKU-LAUBAEHRSA-N 456.974 5.146 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccs3)[nH]n2)c1 1823212293 SIYFZIJDDLKJIO-VGOFRKELSA-N 461.591 5.037 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccn(C)c34)[nH]n2)c1 1823215444 RUYJZLZILPPPTB-UUOWRZLLSA-N 480.572 5.148 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3Cl)[nH]n2)c1 1823218503 SAVDAHUTXKXAFD-OPAMFIHVSA-N 461.953 5.310 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1824140022 VIMNXBCEKOYTEF-GTPZACKGSA-N 459.634 5.569 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1824145892 OTWMVDSIKODYHH-XMMPIXPASA-N 489.701 5.022 30 20 JKED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824224553 RHFICFSZCRPCAC-INIZCTEOSA-N 492.626 5.029 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1824541662 HVKHACZTIMSPDG-ZEQKJWHPSA-N 493.673 5.616 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2c1 1825098221 QTPPFTQDVFWFNN-MNNSJKJDSA-N 496.655 5.579 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cncc(C)c2)CC1)c1ccccc1 1825196452 WWYHKFHBDAJSDU-URLMMPGGSA-N 485.672 5.140 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828356133 CYXWREDEQKXLCA-NRXURXQESA-N 481.596 5.560 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828508460 IAOWYXMJSKLMQH-UZUQRXQVSA-N 491.554 5.011 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 1828824199 FPYRCLMEBNXQMG-UPVQGACJSA-N 492.689 5.515 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2Br)CC1 1828828737 RQXRGJMQPMTMSM-AZUAARDMSA-N 463.416 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1829066672 QNHINCTUPYVEBG-RUZDIDTESA-N 493.648 5.576 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1829069632 AJXSPWNXLPHFKF-DEOSSOPVSA-N 488.072 5.524 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(OC)c2)CC1 1829071357 PFVVCBBBYXZNMK-HSZRJFAPSA-N 461.046 5.574 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)CC1)c1ccc(O)cc1 1830089297 QKSGQJKAPSRQJX-AJTFRIOCSA-N 494.582 5.101 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830360250 IOZGVCZCMYYGBC-CJFMBICVSA-N 455.618 5.076 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1830628044 CRGSWELZSYFKQE-XMMPIXPASA-N 489.616 5.654 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)cc3)CC2)c(Cl)c1 1830723155 GAAQGTCUSQSKRE-VWLOTQADSA-N 481.999 5.217 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830986974 BMKTVQSMFQXRNP-DEOSSOPVSA-N 495.461 5.639 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1)C(F)(F)F 1831685906 DOXQMDUMCIWNQE-OSICKASQSA-N 499.371 5.201 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)c1 1832629390 OXTOGOBKTIIADX-PZGXJGMVSA-N 483.656 5.278 30 20 JKED C[C@H](c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)cc1)C(F)(F)F 1832787837 GVHNBVWBEYGXID-XXBNENTESA-N 489.582 5.208 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1838718562 JNHBFCVMISMUDQ-UHFFFAOYSA-N 486.612 5.392 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC(C)(C)C)C1 1842629261 KVTSVHFAHSOYBU-NRFANRHFSA-N 479.706 5.270 30 20 JKED N#CCCC(=O)N1CCCC12CN(C(=O)c1cccc(Oc3ccc(C(F)(F)F)cc3Cl)c1)C2 1842814007 AEHIQURXQWZGPW-UHFFFAOYSA-N 491.897 5.272 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)s3)o2)nnc1-c1ccccc1OC 18973033 NBIIFDXXUGGQQX-UHFFFAOYSA-N 490.408 5.306 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 21174837 OQSQSKDSLREUSH-UHFFFAOYSA-N 469.595 5.552 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccc(OC)cc1 21991934 YJNAWJDTNYDMFO-UHFFFAOYSA-N 464.635 6.117 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccc(F)cc1 24014909 LDSBCBCTGBCGEE-IBGZPJMESA-N 463.582 5.315 30 20 JKED Cc1cc2nc(C)c(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c(C)n2n1 107876527 OXBFZRVHZBLIMU-QHCPKHFHSA-N 457.965 5.535 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 108692859 TVBCYQCULAHJEQ-UHFFFAOYSA-N 483.362 5.060 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1ccccc1 410127475 AADBLYJPLSHARR-INIZCTEOSA-N 471.611 6.362 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1C#N 480815974 DFIVLOTTYZSKGQ-INIZCTEOSA-N 471.586 5.688 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)cc1 496352247 YIUKJNYRNKXHEZ-UHFFFAOYSA-N 478.272 5.102 30 20 JKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)CCc1c(C)nn(CCC#N)c1C 501017556 YICNIAAPDMQNLJ-UHFFFAOYSA-N 472.511 5.674 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 509105094 BRARYCHTTQICOI-ZODMCCGTSA-N 453.542 5.132 30 20 JKED CCN(C(=O)CCc1ncc(-c2ccccc2Br)o1)[C@@H](C)c1ccc(C#N)cc1 509575182 MGLNMAPBANKBGQ-INIZCTEOSA-N 452.352 5.518 30 20 JKED CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)[C@@H](C)c1ccc(C#N)cc1 509587775 XAKCOWUQRPGANU-SFHVURJKSA-N 490.401 6.105 30 20 JKED CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 509622532 ZWQPNMIFQPSQHW-KRWDZBQOSA-N 467.978 5.236 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OCc3ccccc3)CC2)cc1Cl 510011199 TXQNHLVPVYUICL-VWLOTQADSA-N 459.977 6.209 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1 510647137 RJBNAJMAVSCARA-UHFFFAOYSA-N 466.497 5.195 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(Cl)s4)n3)n2)cc1 512503763 LSOFKMIRDXRERW-CYBMUJFWSA-N 452.973 6.010 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CSc3nnc(N)s3)c2C#N)C(C)(C)C1 512567054 YQYZSFPLDOBIQF-SNAWJCMRSA-N 499.712 5.932 30 20 JKED CSc1cc2c(cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)OCCO2 513976698 BRQCOSPEYPWGIX-UHFFFAOYSA-N 463.534 5.425 30 20 JKED C=CCN(C(=O)CCn1ncc(=O)c2ccccc21)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 516070561 UOOFUTMNZDYMAO-UHFFFAOYSA-N 492.604 5.796 30 20 JKED COc1ccccc1[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 517472273 YZTAFZAVJAGJQW-LJAQVGFWSA-N 477.564 6.251 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)s2)cc1 518104071 TVDFYXRGVXFOCG-GOSISDBHSA-N 496.592 5.907 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(OCc2cccnc2)cc1 518249606 RUOGMSZOQVNPMC-FQEVSTJZSA-N 492.535 5.140 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cn1 518255891 VDZOSHDJZTWLIH-GOSISDBHSA-N 462.575 5.989 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 519515317 CDIDNTPRXFBNKL-PZJWPPBQSA-N 457.599 5.725 30 20 JKED Cc1cccc(C(C)(C)CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 519874285 VZPRAEHTRJKDTK-UHFFFAOYSA-N 457.599 5.305 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 523866882 DASDEROKXQAOSC-UHFFFAOYSA-N 478.508 5.699 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)cc2)cc1 568895662 MLXXSLBINLDOPY-UHFFFAOYSA-N 455.518 5.169 30 20 JKED CCOc1ccccc1-c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)o1 589944822 XJJFQVONQMLWAL-AWEZNQCLSA-N 468.604 5.314 30 20 JKED O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 593039763 PSDFTNYSPASBOB-IUCAKERBSA-N 494.745 5.142 30 20 JKED CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)CSCc2ccc(C#N)cc2)nc1C 603732262 FLZHUYMDCFJPJT-UHFFFAOYSA-N 483.590 5.106 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1C 603908396 YLFYIFZQIPGSPG-UHFFFAOYSA-N 470.602 5.417 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)c(C#N)c(C)c1C 603988032 XTHWDLUUHMHLQM-CQSZACIVSA-N 471.026 5.277 30 20 JKED CCN(CC)Cc1ccccc1CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604134710 XUDBFZQFIRVHAP-VWLOTQADSA-N 489.019 5.092 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCCCc2cccc(C(F)(F)F)c2)cc1 604444664 ONQPWTLVDJAAOE-UHFFFAOYSA-N 467.447 5.057 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 604497322 LQCQOFWBKZXHPW-UHFFFAOYSA-N 470.451 5.865 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1Oc1ccc(F)cc1 604506784 MSAUQZVEKTULJM-UHFFFAOYSA-N 496.498 5.240 30 20 JKED CCC[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 608864263 CXGQXJNPJKNSFR-QHCPKHFHSA-N 458.528 5.336 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC 609006220 FMPZCINXXXUMAG-FQEVSTJZSA-N 486.446 5.518 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 609033064 KYHYDSFUWKBUIG-UHFFFAOYSA-N 457.509 5.465 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 609080106 SUUMOWOIXIQQKY-UHFFFAOYSA-N 472.564 5.325 30 20 JKED C=CCN(C(=O)c1ccc(I)c(F)c1)c1nc(-c2ccccc2)cs1 609148844 LDMKOAHQCAAXAV-UHFFFAOYSA-N 464.303 5.387 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)cc2Cl)cc1 609206936 BUGXKEFBMJIIGL-DEOSSOPVSA-N 488.975 5.359 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2)cc1 609208696 AZROYVFWHPOVTR-UHFFFAOYSA-N 481.478 5.555 30 20 JKED Cc1cc(N2C[C@@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2=O)ccc1Br 609377513 ACRJNVMJDMAFAA-HOCLYGCPSA-N 472.408 5.001 30 20 JKED N#CCCSc1ccccc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 609385747 HWZYDKMLWWOKPY-OAQYLSRUSA-N 470.554 5.821 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 609398187 JMANUSUERPQORB-HNNXBMFYSA-N 477.417 5.235 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)c(OC)c(F)c2)c1 615128424 FINFXUOEGHOGHD-UHFFFAOYSA-N 492.931 5.260 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C1(c2cccc(F)c2)CCOCC1 619553544 CSJZYBNEWDQHMN-UHFFFAOYSA-N 495.391 5.395 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)n2)cc1 642281019 BAEYDYNJDAFPDP-QFIPXVFZSA-N 451.551 6.169 30 20 JKED Cc1c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 726143287 HLEPVAUPPSCEBG-UHFFFAOYSA-N 498.653 5.003 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)c(F)c1 726409433 AQQHKCNDWZYMFX-QGZVFWFLSA-N 484.380 5.511 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C[C@@H]1CCCO1)c1cccs1 726420565 ITFKARANDVASBA-FMROQICQSA-N 493.654 5.470 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@H](C)c1cccs1 726421700 OTGXODURJVLQKG-NTTOUURBSA-N 499.580 5.193 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Oc3ccccc3)cc2)c1 726570508 BTTXBBCEKGLASO-UHFFFAOYSA-O 499.015 6.923 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OCC)cc2)cc1 726571322 SMBRQRGCMNPOHD-UHFFFAOYSA-O 479.025 6.174 30 20 JKED COc1cc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1OCC#N 726626820 GUWKJOIAZJGOAG-WQRHYEAKSA-N 464.490 5.018 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 726755015 YMBMNPDWZAMARC-UHFFFAOYSA-N 466.488 5.507 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)c(Cl)c1 726890481 LFPWJPMUJRGULB-QGZVFWFLSA-N 485.915 5.348 30 20 JKED N#CCOc1ccc(CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 727677652 MMLNTVJDGLVFSU-UHFFFAOYSA-N 487.459 5.597 30 20 JKED CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2C1 728003306 DUGZRPXIQUCCGB-UHFFFAOYSA-N 473.529 5.128 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)N1CCc2sccc2C1 728062465 OPNCJXUMLLFKKT-MRXNPFEDSA-N 451.979 5.237 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ncccc3C)C2=O)c1 729631483 OASHCHACSXOFHU-XMMPIXPASA-N 472.614 5.476 30 20 JKED COc1c(F)cc(Br)cc1S(=O)(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 730767300 MTNLBEDRROIDCF-UHFFFAOYSA-N 477.311 5.062 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc(Cl)c2)C1=O)Nc1cccc(O)c1 731307862 VRBRWXPMUJHSJJ-OAQYLSRUSA-N 483.952 5.345 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 731308830 QONDATLCRSLRFH-FDDCHVKYSA-N 474.586 5.126 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)cc1C 731310984 UJTQKHSTZXZJMV-JPYJTQIMSA-N 477.586 5.194 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCC2CCCC2)cc1F 731312604 QCCRXJKRDYGNII-QFIPXVFZSA-N 485.581 5.081 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 731332457 LWYHTBXRHOOVTO-INIZCTEOSA-N 497.554 5.009 30 20 JKED Cc1sc2ncn(N=Cc3cc(Cl)c4c(c3)OCCCO4)c(=O)c2c1-c1ccccc1 744685449 MGELUPSUHQVHTR-UHFFFAOYSA-N 451.935 5.130 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 837785222 UOPPKDZVNXOJAL-VFNWGFHPSA-N 482.968 5.596 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(-c2nc(C3CCOCC3)no2)ccc1Cl 904585332 RLJIAXVCDNXBMD-UHFFFAOYSA-N 494.400 5.319 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 913349953 ABLNMYLEVPXLLT-UHFFFAOYSA-N 464.692 5.277 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1C 914540455 YTNPYHGTLJPIJJ-GBXCKJPGSA-N 472.614 5.098 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccc(F)c2)C1=O)Nc1ccccc1F 914773025 VKKQACZZDIMWNO-OAQYLSRUSA-N 469.488 5.264 30 20 JKED N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1 915104704 JFYSUSNWZIXMNV-OAQYLSRUSA-N 463.453 5.008 30 20 JKED COc1ccc(-n2c(-c3ccccc3Cl)nn(CN(CCC#N)Cc3cccnc3)c2=S)cc1 915795682 GTNUQPFXQDXODS-UHFFFAOYSA-N 491.020 5.501 30 20 JKED Cc1csc(SCc2ccccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)n1 915860450 ZLCIONLLZUMCOJ-UHFFFAOYSA-N 472.595 6.364 30 20 JKED C=CCOc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1OC 916168513 JYVOIZGWDDHFJV-OAQYLSRUSA-N 491.535 5.053 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1F 916205731 LDQFVUDATLTEEZ-OAQYLSRUSA-N 469.488 5.264 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCc3ccccn3)C2=O)c1 916207681 IQOXJXWXTOAYAO-VWLOTQADSA-N 486.641 5.518 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)c1 916209886 ULTLZSUHOGBVMO-NRFANRHFSA-N 499.976 5.111 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccc(F)cc2)cc1 916210285 ZLQJHHTXDRXIQP-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCOC)cc1 916213392 CFFIAXPTFAPGIA-NRFANRHFSA-N 490.025 5.044 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C[C@@H]3CCCO3)C2=O)cc1 916217482 ODGQUXIVAADOBC-PMACEKPBSA-N 491.535 5.153 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916904584 GQDQPZFOIXJIJO-XMMPIXPASA-N 499.530 5.688 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 916928166 VJKUDCPGDHIULQ-OAHLLOKOSA-N 460.342 5.395 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1sc(-c2cccc(Cl)c2)nc1C 917505142 KBOFZAITYXOYRJ-INIZCTEOSA-N 469.950 5.099 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 918035950 PZWKUWSCMNLZQS-SANMLTNESA-N 458.606 5.379 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccc2c1 918306034 QSSDBAGYMJNADW-HHHXNRCGSA-N 463.537 5.101 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)cc1 918545387 PLSQCRYVZNJAOT-HELSZXIZSA-N 498.649 5.047 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)NC3CCCC3)cc12 919666480 KZMTVZPADQSYQS-QGZVFWFLSA-N 475.401 5.143 30 20 JKED Cc1cc(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)cc1Br 920140549 FSVOTZNGRCBOPT-QGZVFWFLSA-N 482.428 6.030 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3c(C)noc3C)C2=O)cc1 920355283 KEXLLJILETXBOE-OAQYLSRUSA-N 482.993 5.414 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)C1 1778914501 ANYPDZZGMYBCIW-LEAFIULHSA-N 496.051 5.093 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC(F)(F)C4)cc3)CCC2)cc(C(F)(F)F)c1 1785805411 YCSFLHNMDBTLRR-INIZCTEOSA-N 491.460 5.760 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)Cc4cccc5ncccc45)CCC3)cc2)cc1 1785880835 PMXPGJMARGHMBA-UHFFFAOYSA-N 474.564 5.026 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(Cl)n3)CCC2)cc1 1786367048 UXYHFRXRPNXTQN-UHFFFAOYSA-N 462.377 5.119 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1)C(F)(F)F 1786574193 YORCGCBOAWLAIY-IBGZPJMESA-N 495.542 5.029 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)Cc4ccccc4Cl)cc3)CCC2)c(C#N)c1 1787748913 HZCQCTGRQKWLIS-UHFFFAOYSA-N 487.987 5.140 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccc(OC)cc5)on4)cc3)CCC2)C1 1788681988 NVUUOMRBTDVMNT-UHFFFAOYSA-N 457.530 5.064 30 20 JKED COc1ccsc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1789929102 LKEHXIJLWDOWBY-UHFFFAOYSA-N 459.571 5.009 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)c(C)n1 1789964939 INOVRINVMLGRSD-UHFFFAOYSA-N 493.489 5.045 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)cc2)CCC1 1790052491 KGQRDEUJWDPBNV-UHFFFAOYSA-N 467.850 5.549 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccs5)on4)CCC3)cc2)c1 1790074463 YYMVIBWGNIZSCD-UHFFFAOYSA-N 498.564 5.345 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)ccc5s4)CCC3)cc2)c1 1790146570 WZUGTOZDTREANH-UHFFFAOYSA-N 458.518 5.302 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1790511479 LPXOHXRYKNCRHW-UHFFFAOYSA-N 483.568 5.006 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OCC)cc2)CCC1 1790693072 SMHWZNBMERCRPI-JOCHJYFZSA-N 470.997 5.060 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccc(F)cc4)CCC3)cc2)cc1 1790705233 MBPPOIRXWLLITD-CLJLJLNGSA-N 467.544 5.443 30 20 JKED Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)/C=C/C(=O)c5cccs5)CCC4)cc3)ccc2[nH]1 1790989181 XVLMXIQALQTZQQ-VAWYXSNFSA-N 483.593 5.725 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791252137 INUOAQWLZCGJTQ-CCLHPLFOSA-N 483.653 5.370 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)cc1 1791583614 QMWVDDNCGWGKKV-UHFFFAOYSA-N 478.390 5.482 30 20 JKED CCCC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)cc1C 1792231245 FEZFOKYVYIHOLK-UHFFFAOYSA-N 472.589 5.175 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1801638911 CDQRFKWWAATJAC-SXPGVMETSA-N 453.586 5.366 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C2)c1ccc(O)cc1 1802428434 OYLWYDMKASACKL-VMQCTCBBSA-N 490.619 5.106 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803079877 QERIRBDQKFFIEM-YCPOJYAPSA-N 497.561 5.588 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1806411553 XWWRBOFOEWVMLH-PXJZQJOASA-N 467.613 5.252 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)CCC#N)[C@@H]2c2cccnc2)cc(C(C)(C)C)c1 1806867390 CLIGUEYHAGUCCD-LVXARBLLSA-N 474.649 5.300 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1810173733 BDNDRNNQXIMBKC-NIRIFSCTSA-N 477.008 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(Cl)s2)[C@H]1c1cccnc1 1810492897 RHSRKYQNRXAACQ-AVRDEDQJSA-N 460.043 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1810505424 UGNHDAUHGHXWGG-UNMCSNQZSA-N 473.539 5.412 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)c(Cl)c2)[C@H]1c1cccnc1 1810854979 ZYFFKGPTBKNPPL-UQASEVPWSA-N 490.829 5.029 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c(C)cc2OC)[C@H]1c1cccnc1 1812003038 HRKYCXZYMGOJFZ-RCZVLFRGSA-N 463.622 5.019 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)[C@H]1c1cccnc1 1812429708 WDRUIMSWXVMSSF-CRXYYGHGSA-N 490.692 5.019 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)[C@H]1c1cccnc1 1812589573 ABYFKJHDHUEQHX-NRYAXDJKSA-N 498.465 5.499 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)[nH]n2)C1 1814393624 RTHJKCNMCKJELE-OAQYLSRUSA-N 498.509 5.091 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(C)n2)n[nH]1)c1ccccc1 1814418740 AXMMETMZSWWLLE-IYISNHAYSA-N 481.600 5.016 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)[nH]n1 1814441480 KNIYCAOKWQGFEV-NRFANRHFSA-N 461.566 5.363 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815218729 RRUXXHQARFINRN-VGOFRKELSA-N 472.545 5.206 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1815653157 BPJKVLADIPUYMB-INIZCTEOSA-N 475.039 5.503 30 20 JKED Cc1ccc2oc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)cc2n1 1817692290 KNZCHAFTGJCXLY-ZHRRBRCNSA-N 482.544 5.106 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)C3)n[nH]1 1817943907 RUZXNABMTBQUFB-OAQYLSRUSA-N 464.610 5.422 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(F)(F)F)c[nH]2)n[nH]1)c1ccccc1 1818208206 WPXOLYMAYHTVND-KNQAVFIVSA-N 497.521 5.260 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)Sc2cccs2)n[nH]1 1819254339 PJZMRIGVRVLTTG-APWZRJJASA-N 458.653 5.413 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2F)[nH]n1 1819302102 ZXHUQUCDZOKAEG-JXFKEZNVSA-N 489.389 5.386 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c1Cl 1820218306 SDFYPUATLAHPPB-GBJNBNQZSA-N 498.974 5.435 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820218668 AISQHBZNTWZXRJ-HXUWFJFHSA-N 490.995 5.247 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)[nH]n2)c1 1820308195 OTOZZGOXNUQOLF-DEOSSOPVSA-N 482.519 5.035 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)[nH]n2)cc1 1820548531 HMHIXEWPNOYBQJ-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821047081 KGQXLRZXTVPRDK-QHCPKHFHSA-N 476.602 5.427 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821048347 AYMQEZVFOSAQBW-RUZDIDTESA-N 470.573 5.702 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Br)c(Cl)cc3F)n[nH]2)C1 1821236519 GZCHBRHHYVZWII-GOSISDBHSA-N 495.780 5.237 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)[nH]n2)c1 1821271655 DCTAGSFMITYWCG-XMMPIXPASA-N 494.530 5.102 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c(Cl)c1 1821277318 UZXPBPUQOAWABF-LJQANCHMSA-N 486.334 5.347 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)n[nH]1 1821760058 WLDBLVAIPFVJIN-LITSAYRRSA-N 497.643 5.079 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(Br)cc2F)n[nH]1 1821870199 PAKYSSMUORVSGS-YWZLYKJASA-N 491.405 5.148 30 20 JKED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2C1 1821907759 BJFINRIXOAIZGW-KRWDZBQOSA-N 479.627 5.080 30 20 JKED C[C@H](Cc1ccco1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1822846552 DWJRXPGOUIAXQR-VFNWGFHPSA-N 499.493 5.078 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823312150 FPXNBFIRQVGZPU-SJLPKXTDSA-N 499.862 5.086 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(OCc4ccccc4)ccc3O)CC2)C1 1823701336 HWBGBLLKTJPMIS-HHHXNRCGSA-N 488.628 5.171 30 20 JKED C=CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)sc2C1 1823804949 VYVHNMMKBJEPRA-CYBMUJFWSA-N 468.406 5.039 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)CC1)c1cccs1 1823898704 RJXQGQIGXIGYCA-SHBDEGQCSA-N 489.012 5.213 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1824142288 MJEUOISWBGJVQC-HHHXNRCGSA-N 475.633 5.251 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2C(C)(C)C)CC1 1827296827 LLAZBSMKWAUZRL-LADGPHEKSA-N 451.655 5.381 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684558 IKFBAKMMPWVOSR-QZTYOQMJSA-N 478.658 5.219 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827776841 XFOCZQJAMOGHBU-NRFANRHFSA-N 492.925 5.237 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828168329 PFZBDCOJBGPBHN-OAQYLSRUSA-N 489.081 5.771 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)CC2)c1 1828319555 GNWIAOPHGZVPFZ-FNZWTVRRSA-N 468.601 5.342 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)[nH]c12 1828549424 KONDAEWUSYYSTQ-VWLOTQADSA-N 472.564 5.034 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc4c3CCCC4)CC2)cc1 1828569460 RDBMMRUZYQDDMW-DEOSSOPVSA-N 461.631 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(OCC(C)C)c2)CC1 1828825473 WXSSNWNEOJPXST-JWQCQUIFSA-N 467.654 5.118 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2cc(OC)ccc2OC)CC1 1828826797 CBASYJBKFGHJPS-SVBPBHIXSA-N 496.692 5.415 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)CC1 1829390531 WBKFLHGOVJCTTD-FPOVZHCZSA-N 463.544 5.102 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)sc2c1 1830012647 RASJGUPNNVXGKT-QHCPKHFHSA-N 472.614 5.024 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)CC2)cc1C#N 1830025812 VGHVGACVAVNDFH-VWLOTQADSA-N 477.580 5.032 30 20 JKED Cc1nc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)ccc2s1 1830628007 BRYFISUKSQOBNJ-VWLOTQADSA-N 486.641 5.218 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830655390 GBBQVNQGFIRZAR-UYAOXDASSA-N 475.457 5.320 30 20 JKED C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1830725012 XFKKVVBAPSUCEZ-RXFWQSSRSA-N 478.036 5.639 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)Oc1ccccc1 1831232707 RTZAKHJMKZMDMI-FNZWTVRRSA-N 494.035 5.303 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831779753 HYEYYSCKCPHLNA-HSZRJFAPSA-N 456.030 5.075 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831790967 LEZCWWIQIHEBRX-FAPGNOQXSA-N 498.667 5.313 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccoc3)CC2)cc(C(F)(F)F)c1 1832350182 WFYZHIFXOHYANQ-QHCPKHFHSA-N 487.522 5.036 30 20 JKED CCC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1)n1cccc1 1832631137 RNWYSPFOPISYEB-WDDWZANVSA-N 474.649 5.390 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)CC1 1832669845 BSQINKNUDUDLLR-XMMPIXPASA-N 459.030 5.350 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1832736388 FDZXHZLAAPGQCE-RUZDIDTESA-N 486.056 5.300 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)nc4ccccc34)CC2)CC1 1835345205 PYDWRAIFXUSKOL-UHFFFAOYSA-N 497.083 5.066 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 1836603580 RMVBOOXYKIDQAU-FQEVSTJZSA-N 473.057 5.211 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1)c1ccccc1 1837435969 VOPPGXPZXSXJHB-QHCPKHFHSA-N 499.076 5.211 30 20 JKED Cc1csc(SCc2ccccc2C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)n1 9623341 ACGFXVROKXUPPI-UHFFFAOYSA-N 457.964 5.064 30 20 JKED C=CCn1c(SCc2nnc(-c3ccco3)o2)nc2scc(-c3ccc(C)cc3)c2c1=O 11019402 BWPSNNAZDHPPMR-UHFFFAOYSA-N 462.556 5.555 30 20 JKED C=CCN(C(=O)CSc1nnc(C)n1CC=C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18405896 QCPLBKATIYYZMI-UHFFFAOYSA-N 480.446 5.514 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)cc1 21397260 HKJAAZXUWSUMAE-QHCPKHFHSA-N 453.999 5.043 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2cc(-c3ccccc3)sc2c1=O 21494528 LHPGCQYZWKNWQZ-INIZCTEOSA-N 472.595 5.302 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nnc1[C@@H]1COc2ccccc2O1 21668069 JIHLARBVJRFDDG-JTSKRJEESA-N 464.591 5.219 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1-c1ccc(C)cc1 21729662 BBRBGSIPPCQJPW-OAQYLSRUSA-N 497.624 5.679 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 22730167 OQQBNCNNTYCAST-UHFFFAOYSA-O 487.670 7.140 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 22732771 LFFGTZWXMBXYFN-UHFFFAOYSA-O 459.969 6.136 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1-c1ccccc1 24014429 WKDDEUBCLYCLKB-IBGZPJMESA-N 487.585 5.272 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 25838704 JAPPFKLPGDHTHA-UHFFFAOYSA-N 474.611 5.325 30 20 JKED C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1 26113972 NNRKFJANQWCLIB-QGZVFWFLSA-N 473.989 5.429 30 20 JKED CCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1S(=O)(=O)N1CCCCC1 30062800 QQKIICVVEAODCH-UHFFFAOYSA-N 489.597 5.051 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nc2cc(Cl)ccc2c1=O 59738260 XFORAVSPZZONQO-UHFFFAOYSA-N 453.995 5.154 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102044631 IEVKIYCHBZONOX-QVAAMCLDSA-N 499.656 5.140 30 20 JKED Cc1nc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)sc1SCC#N 107899455 DZXLEHAAHCNBNX-UHFFFAOYSA-N 478.628 5.046 30 20 JKED C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)CCc1ccc(C#N)cc1 253591256 LFXIVRAJPZGVEE-FDDCHVKYSA-N 453.973 6.361 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c(C)c1 255422730 VMIBLUINIKHZNU-OAQYLSRUSA-N 469.513 5.335 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(COc2cccc(Br)c2)o1 303028158 WMVXAHBMVQDQOD-UHFFFAOYSA-N 451.320 5.321 30 20 JKED CC1(C)CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCN1Cc1ccccc1 303264956 QBBYSBFYOOYUML-UHFFFAOYSA-N 468.601 5.460 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 409530740 YYRVSSNIBIKVBT-GOSISDBHSA-N 459.281 5.980 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1C#N 487180552 VDOZYETVRBBEEE-UHFFFAOYSA-N 453.461 5.222 30 20 JKED C=CCN(C(=O)CSCc1cc(-c2cccs2)on1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 488385753 PKZRSTGPTBRBBJ-UHFFFAOYSA-N 498.611 5.887 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)s2)cs1 497734591 RKIQJWZAAITHJE-UHFFFAOYSA-N 475.643 5.547 30 20 JKED COCc1nc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)c2c(-c3ccccc3)csc2n1 500568284 JBKKZBBAHPXBOF-UHFFFAOYSA-N 492.608 5.251 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 501131342 KYFDUWNJYGKJON-UHFFFAOYSA-N 463.497 5.320 30 20 JKED Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)sc1SCC#N 504700821 PIORQFFZZVTFJS-UHFFFAOYSA-N 496.621 5.780 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 504805155 IXLYDIINRXWVEG-UHFFFAOYSA-N 488.547 5.572 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)cc1 505162286 MGGVKBLTZHPKGM-UHFFFAOYSA-N 459.011 5.049 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)cc1 505674466 CUQCQHJGBHMRNH-UHFFFAOYSA-N 492.457 6.124 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 509184227 LSZXTQOCJHGGOO-UHFFFAOYSA-N 454.526 5.451 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)oc12 510246535 SMBCIQOUWQWEEY-AWEZNQCLSA-N 479.587 5.730 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc1 510532610 GVNFYZITWFMATB-QFIPXVFZSA-N 460.622 5.197 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 510692920 KDRJCXWWQZFLHG-UHFFFAOYSA-N 473.529 5.443 30 20 JKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)c1 511303351 GPUOKSGJLXSMQR-UHFFFAOYSA-N 470.573 5.359 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 511505505 NAJZKQBZITUAJF-SFHVURJKSA-N 469.545 5.117 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2OC(C)C)cc1 511764783 ZDRYDNAGRSVGEQ-UHFFFAOYSA-N 457.368 5.303 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 512491124 DAPFBWHWQSSXNY-QGZVFWFLSA-N 491.592 5.251 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(F)cc1F 512961856 MTAVORUXBPPQHY-CYBMUJFWSA-N 464.925 5.094 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 514076351 XAYIWFRIQNUCNY-UHFFFAOYSA-N 486.325 5.342 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 517520723 UMUCDRWSUHGUQH-HNNXBMFYSA-N 498.699 5.932 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NCc2cccc(COCc3ccco3)c2)c1 517607744 BRXRJRSDRCQQJR-UHFFFAOYSA-N 452.510 5.377 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 518031394 JGBBSTWKBHZATI-UHFFFAOYSA-N 473.573 5.024 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(Br)cc1 521810552 UGKSOQWXOKCKSI-RDTXWAMCSA-N 476.396 5.269 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)c1 523187957 APWYPDHBGFGYMJ-IEXUWNMDSA-N 465.981 5.435 30 20 JKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)[C@H](C)Oc4ccc(C#N)cc4)cc3s2)s1 523277136 RJYVQYZFMJGYOM-AWEZNQCLSA-N 462.556 5.196 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCCCc2cccc(C(F)(F)F)c2)cc1 523647569 CTZDEUAUGHEBIH-UHFFFAOYSA-N 497.473 5.065 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524422644 ZUMJJZMJMFSHJQ-INIZCTEOSA-N 497.979 5.629 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 524437846 CEFUXQSOXQOMKZ-MHZLTWQESA-N 485.584 5.667 30 20 JKED Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc(OCc5ccccc5C#N)c4)C3)[nH]c2c1 566752215 HEGVLRHVGWTOPA-QFIPXVFZSA-N 450.542 5.342 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 588952507 JGTOQZVGUCJAJK-UHFFFAOYSA-N 499.262 5.877 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 591617662 HEALOINJQHFCLW-UHFFFAOYSA-N 456.489 5.722 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 597217902 JKIGXABPHJZQPQ-HXUWFJFHSA-N 483.597 5.370 30 20 JKED Cc1sc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c(C#N)c1C 603440669 DAHMSDLENIFNHL-UHFFFAOYSA-N 458.387 5.712 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)cc1Cl 603758889 MQMLKIWMQSYVJD-SFHVURJKSA-N 479.410 5.264 30 20 JKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5nc(C)c(SCC#N)s5)(C4)C2)C3)cc1 603775738 IRKJGTLGTDAVFL-WADIDORASA-N 453.633 5.553 30 20 JKED CCN1C[C@@H](CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)Oc2ccccc21 603828359 VQSDBIPIGXJRQG-RUZDIDTESA-N 470.573 5.083 30 20 JKED N#CCCCOc1cccc(NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)c1 603972344 RJYYUNKSLRFZAC-UHFFFAOYSA-N 479.378 5.448 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 608865595 QGTAGURAIVCQTQ-OAQYLSRUSA-N 494.473 5.457 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncccc1OCCCC#N 608882460 OJIDOIXZFZXZMZ-HNNXBMFYSA-N 456.955 5.333 30 20 JKED CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062660 XARLHMAUZHXWFA-NRFANRHFSA-N 453.970 5.156 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 609081374 VLVCHDDCOYDEGK-HNNXBMFYSA-N 468.325 5.169 30 20 JKED Cc1ccccc1-c1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2cnn(C(C)C)c2n1 609185378 WBLBHEGRCWPNKM-UHFFFAOYSA-N 479.584 5.543 30 20 JKED Cc1nc(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)oc1-c1ccccc1 609378379 IHAZQUDEFZBYCZ-UHFFFAOYSA-N 459.493 6.246 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 609430401 VKJACDXKZMRHDE-AWEZNQCLSA-N 492.047 5.849 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609430533 LZVVZBISRQMCPE-QGZVFWFLSA-N 451.621 5.516 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 609435559 XEVNBEWORQJPOF-AFMDSPMNSA-N 457.599 6.317 30 20 JKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613344946 YHGAZZNZNPBODJ-OCBCSQNSSA-N 470.381 6.201 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCc1ccccc1Cl 613401534 CNQRWYHQNKPWAK-KRWDZBQOSA-N 481.886 6.162 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1OC 617995001 YBGRIQYXAOVCQR-HZPDHXFCSA-N 456.999 5.151 30 20 JKED O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618366013 VYJRWIHIIWVLOY-OCAPTIKFSA-N 461.175 5.272 30 20 JKED COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)n2C2CCCCC2)cc1OC 619672877 YJFIEWUZAUYNIC-UHFFFAOYSA-N 465.535 5.399 30 20 JKED C=CCn1c(S[C@H](C(=O)N(C)Cc2ccc(OC)cc2)C(C)C)nnc1-c1ccccc1F 639394741 PYUPWHLXVJNEJF-QFIPXVFZSA-N 468.598 5.054 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 643166999 OCTXFWBVAMPFHU-UHFFFAOYSA-N 497.938 5.956 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 726321745 PMBUJGDLSRBRIU-YEQJADSVSA-N 465.638 5.493 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 726854542 OMNFAFUIHPDVDT-DNQXCXABSA-N 479.502 5.957 30 20 JKED Cc1cccc(-c2cccc(CNC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)c1 726857061 RBAUJTNMEMANPY-NDEPHWFRSA-N 459.549 5.572 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1 727485384 PKSAYCDGIUCQIM-UHFFFAOYSA-N 499.017 5.425 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 728181427 HJYMWZUPAIUTJD-UHFFFAOYSA-N 478.617 5.968 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc1C 729109931 YXGZHKOZWKYRNJ-HSZRJFAPSA-N 483.528 5.201 30 20 JKED CCOc1ccc(N(C(=O)/C=C/c2ccccc2C#N)C2CCN(CC(F)(F)F)CC2)cc1 729241459 JTWNOQBYWLXIDW-KPKJPENVSA-N 457.496 5.030 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)c2)cc1 729656276 ZFEADYLXFSHBFR-UHFFFAOYSA-N 489.443 5.286 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2cccc(NC(=O)c3ccccc3Cl)c2)c1 730565274 NSPMEELHVUYVBV-UHFFFAOYSA-N 492.004 5.551 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(Cc3cocn3)C2=O)cc1 730721946 XZQDYRNAFDHIOU-FQEVSTJZSA-N 482.993 5.414 30 20 JKED Cc1ccc(O[C@H](C)C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Br)c1 731073388 VXBXPDFFDBNHJB-JKSUJKDBSA-N 491.407 5.101 30 20 JKED CON=Cc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)cc1 731199268 VMRCXFGWQPOLBK-UHFFFAOYSA-N 469.416 5.246 30 20 JKED Cc1cccc2[nH]cc(CCN3C(=O)[C@H](CC(=O)Nc4cccc(O)c4)SC3=Nc3ccccc3)c12 731306866 OUWJOUAGXUGDEV-DEOSSOPVSA-N 498.608 5.385 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(F)cc2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 731321978 QDYUOQKPVYRHRZ-XFFZJAGNSA-N 487.449 6.075 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(OCc3ccccc3C#N)c2)NC(=S)N1 731339079 NQSQTWGXPBXPLJ-AREMUKBSSA-N 482.609 5.186 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 749046936 CGVJCAHWWMQDRE-DNVCBOLYSA-N 461.953 5.273 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCC(F)(F)F 750935241 PVDZRLNJXLKFGM-UHFFFAOYSA-N 456.877 5.056 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccs2)c1 837359922 KZPOJXXUOXHKQG-FQEVSTJZSA-N 487.553 5.195 30 20 JKED CS(=O)(=O)c1ccc(-c2noc(-c3cccc(Oc4cccc(Cl)c4C#N)c3)n2)cc1 904542257 KAABUBCTTHTYBB-UHFFFAOYSA-N 451.891 5.124 30 20 JKED CCOc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1 914545238 GLXJPPNFRNCGIN-JOCHJYFZSA-N 492.576 5.088 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914548628 NSFKSYILBQCAGZ-RBBKRZOGSA-N 453.995 5.092 30 20 JKED CC(=O)N[C@H](CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 914890758 DEKUIRQPAGNKFM-RUZDIDTESA-N 460.961 5.350 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]2c2ccc(OC)cc2OC)c1=S 915201884 FICGSDFWYBHGMT-QFIPXVFZSA-N 450.608 5.003 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c1=S 915823402 UAEFXASFJRCTLJ-UHFFFAOYSA-N 466.504 5.426 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(\Cl)c3nc(O)c4ccc(C(=O)O)cc4n3)c2)c1 915984876 PLRKBMRREOIWPZ-NHDPSOOVSA-N 457.873 5.221 30 20 JKED COc1cccc([C@@H](CNC(=S)Nc2ccccc2C#N)c2c[nH]c3ccccc23)c1OC 915996205 ZOVTUKAGXAWITH-OAQYLSRUSA-N 456.571 5.175 30 20 JKED CCOc1cc(/C=C/C(=O)c2cccnc2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 916137347 VZWBNIOKHMVQPP-ZUNPHZNVSA-N 462.590 5.182 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(C2CC2)C1=O 916210783 IUYHNISGRYUYNR-HXUWFJFHSA-N 457.983 5.088 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1 916519351 BZJFAHCNHGTKES-OAQYLSRUSA-N 453.468 5.380 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 916679632 VGSXSZALZCVUNS-SANMLTNESA-N 470.548 5.041 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916719633 GCYAQMWGXGGGHA-QNAXDZHFSA-N 499.662 5.114 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916906163 CGOIGDDQWKCPRS-FQEVSTJZSA-N 495.398 5.822 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c(C)c1Cl 916944403 CXAZSOXIFIYWIT-SFHVURJKSA-N 461.736 5.411 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cccc(C)n3)C2=O)cc1 917662739 HHYDVIKFEAAGHP-DEOSSOPVSA-N 488.613 5.258 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cccc(C)n3)C2=O)c1 917689950 RCUCRCQPEBYOIY-HSZRJFAPSA-N 492.576 5.007 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2C#N)c1 917704389 ZWZFYJCTQMHCOQ-QHCPKHFHSA-N 490.535 5.305 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 918491498 ASQZGNGTJOFADJ-QGZVFWFLSA-N 450.361 5.712 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 920110673 FPVVNMRRRAQFQJ-SUMWQHHRSA-N 458.008 5.929 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3cc(Cl)c(Cl)cc3Cl)n2)cc1 920140441 HCYDGZVZQRZAPR-ZDUSSCGKSA-N 462.745 5.897 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)C=C1 920393820 GOBQKFQRPCUXHG-UHFFFAOYSA-O 484.645 5.435 30 20 JKED N#C[C@@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc(-c2c(F)cccc2F)cs1 920805342 CDNUDESCBYRTKE-INIZCTEOSA-N 479.464 5.189 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnc1-c1cccc(C)c1 920806444 LKSHHKQXAOGYBN-INIZCTEOSA-N 495.580 5.644 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 920869952 QPRHPZITPSVMAR-BTYIYWSLSA-N 492.016 5.339 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CCO2)C1 1779243159 QASOTHMQQQFLRN-MUUNZHRXSA-N 491.657 5.332 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc([C@H](C)C#N)c2)C3)CC1 1781914754 UZHDCSRVAJVTQH-XPWISOAGSA-N 479.665 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccccc3)cc2)C1 1783040747 AOWMRCFBVIYDPP-PVTPYKNESA-N 472.629 5.250 30 20 JKED Cc1cncc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1786857709 LOOBLPJEBNILLZ-OAQYLSRUSA-N 466.585 5.398 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3cccc(F)c3)cc2)CCC1 1787751878 LYFYQMBRRJPYNF-VAWYXSNFSA-N 462.546 5.003 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)CCC(F)(F)F)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1787872698 VMLDMAPARMNOPP-IBGZPJMESA-N 495.542 5.029 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4occc4Br)cc3)CCC2)c1 1788719371 YVZNJIGVODKGMK-INIZCTEOSA-N 492.373 5.731 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)CCC1 1789027664 YERDQQUEMAUXQW-UHFFFAOYSA-N 464.363 5.092 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3ccc(C4(NC(=O)C(C)(C)C#N)CCC4)cc3)cc2n1 1789221226 QFVDKUGHOVLHRZ-UHFFFAOYSA-N 460.965 5.494 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1789493819 GKUZZXLFVZLGOW-RUZDIDTESA-N 469.585 5.069 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)CCC1 1789705814 SNIGQFXCLRPLLE-UHFFFAOYSA-N 495.366 5.087 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c[nH]nc45)CCC3)cc2)c1Cl 1790081758 KVZMWUYZYDALPT-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)CC3CCC3)CCC2)cc1 1790525611 JHWLLQAKCVIREH-RUZDIDTESA-N 489.616 5.182 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cncc(C(F)(F)F)c4)CCC3)cc2)c1 1790764824 LWZLRWFEQYRJIQ-UHFFFAOYSA-N 482.437 5.173 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cn5c(F)cccc5n4)cc3)CCC2)c(Cl)c1 1790918290 MIVABKJFRWMLGW-UHFFFAOYSA-N 487.922 5.060 30 20 JKED CC(C)CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCC2)cc1 1791255759 CREKGTMIAGWVTK-OAQYLSRUSA-N 491.698 5.158 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791729042 OAWVFBWGFFHPDI-DEOSSOPVSA-N 495.664 5.494 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cnc(C)s4)cc3)CCC2)c1 1791958702 DHCAMEGYNAVBAF-CMDGGOBGSA-N 456.571 5.093 30 20 JKED Cc1c(Cl)ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)c1Cl 1792090326 LORJUYOIXJXUCV-UHFFFAOYSA-N 487.431 5.331 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4cccc(N(C)C)c4)CCC3)cc2)c1 1792123061 HYUKKBBFDZIQCR-NRFANRHFSA-N 496.611 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn(C(C)C)cc1C(F)(F)F)C2 1793052348 JAUZVNSYNVCFAR-REPLKXPHSA-N 451.533 5.108 30 20 JKED Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(F)cc2C(F)(F)F)C3)c(C(F)(F)F)o1 1795139884 SXTZZACTLWRKLL-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(F)(F)F)nc3ccccc13)C2 1798335154 YCGUQRDPVJGPCD-RDGPPVDQSA-N 471.523 5.274 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC#C[Si](C)(C)C 1798420611 DWGUHQKKYDYPIY-WKCHPHFGSA-N 475.105 5.042 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1OCc1ccccc1)C2 1801697434 MMBXDCWQOLVQBB-ACDBMABISA-N 488.962 5.382 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1804842488 BCLFOEOUHNEWPK-SQHAQQRYSA-N 484.644 5.697 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810276745 IWLCXTWRIZTEKW-ATIYNZHBSA-N 496.127 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810503262 PDLKZNHPNMQEAI-ATIYNZHBSA-N 493.623 5.322 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810725383 GBNXVIKLBQCNTE-OYFGVDPJSA-N 495.623 5.962 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c1Cl 1811421418 PZQOFGIMQUZIIL-XMSQKQJNSA-N 490.972 5.048 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CCCCC3)[C@H]2c2cccnc2)C1 1812522881 VMVSOXWYGWMGGO-BKMJKUGQSA-N 492.063 5.609 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1)C(F)(F)F 1812682487 QMCIVKXOWPLHKK-LADGPHEKSA-N 499.577 5.416 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1812701139 WXXSNRGWOMKKJD-LHYMKVENSA-N 460.622 5.245 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1812829976 DVZFRHZITYYGBC-ZRRKCSAHSA-N 459.634 5.222 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c1 1813867180 DMYLPJSPUFSWHG-SAQVGAHLSA-N 490.966 5.135 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[nH]n2)C1 1814396940 MUSWWSPVTQHUGF-INIZCTEOSA-N 484.881 5.493 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)[nH]n1 1814445858 ZDHAGEZXIVKRAY-HXUWFJFHSA-N 468.598 5.034 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)n[nH]1 1818817113 ZYGSDKSSAMNFNW-JARREKRNSA-N 487.604 5.374 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(F)CCCCC2(F)F)n[nH]1 1818889453 LGZARPJIZPHLHP-TVTNDZMWSA-N 452.521 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1819309404 UIZNVADDLJEFRP-UYAOXDASSA-N 493.589 5.607 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)[nH]n2)c1 1820306995 NNTGRWLABXLSHW-KRWDZBQOSA-N 478.965 5.097 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1)c1ccccc1 1820547405 SPJVQBMHWLBQLL-ZCYQVOJMSA-N 455.562 5.027 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)cc1 1820548969 CNEXWHKQELWGFE-MDRMPYQZSA-N 465.513 5.047 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)CC1 1820976958 DLIFUYDWKLFVSZ-XMMPIXPASA-N 475.637 5.513 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)[nH]n2)cc1 1821181288 VHHMWZBFAWAOLY-QFIPXVFZSA-N 495.505 5.043 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[nH]n2)c1 1821275370 HQRLIAIUWXJVEB-YYDVJCTNSA-N 491.954 5.183 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)cc(C(F)(F)F)c2)n[nH]1 1821360310 JPXUAJFCQLHSAV-NRFANRHFSA-N 490.526 5.511 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3F)n[nH]2)c1 1822969249 ZFFHDANUCCXCDT-MHECFPHRSA-N 473.552 5.115 30 20 JKED C[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216189 PVPWPTURQOHORV-RNHFSVANSA-N 469.589 5.221 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CC(c5ccccc5)(C3)C4)n[nH]2)c1 1823588051 GDFRBNRMTIRIPF-OAHPJDTOSA-N 493.611 5.028 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)cc3F)CC2)c1 1823930192 GDVXDAZWCAPILN-QHCPKHFHSA-N 498.396 5.007 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)C3)CC1 1824141252 LRGWTPXGIJJMSV-RUZDIDTESA-N 464.650 5.402 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)oc3cc(O)ccc23)CC1 1824142344 PNEZFIRARYUUSS-DEOSSOPVSA-N 464.606 5.449 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1)c1ccccc1 1824241610 OJQDQFYFTMAOKY-RRPNLBNLSA-N 457.618 5.231 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1824502224 BBVWPTMJWDVZJV-HSZRJFAPSA-N 495.035 5.094 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)CC2)c(Cl)c1 1826763328 OZGDVPMSRWHHCV-HXUWFJFHSA-N 481.946 5.178 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CNc3ccccc32)CC1)c1ccccc1 1826922458 SSSDNNULBVNQCP-MDZVADFISA-N 483.656 5.013 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828159478 LSQGKTBTQCAFPI-FQEVSTJZSA-N 475.029 5.294 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1828827802 VKAJONGGAHQDLI-VSGBNLITSA-N 471.645 5.750 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(F)(F)c2ccco2)CC1 1828907147 VPOSNHYTEQMSMA-NRFANRHFSA-N 478.656 5.042 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829491991 ZJLNWAZXXHPEPB-HHHXNRCGSA-N 473.661 5.974 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829676526 IKPMHKKYUWJQDJ-XMMPIXPASA-N 499.533 5.133 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1829679351 PAXCBGDIELJWMA-NRXURXQESA-N 497.595 5.260 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1830017491 ZNOGWXIMIFNOHO-VWLOTQADSA-N 476.020 5.177 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1830582561 DSOHVGWXZCXVCU-DFBJGRDBSA-N 495.570 5.462 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830653810 FOPSMNCSSCDMGJ-FOIQADDNSA-N 486.415 5.167 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)CC1 1830684569 ZQNONIXPCQZXJY-DEOSSOPVSA-N 468.638 5.014 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c(Cl)c1 1830723051 VMJKEHUMIHSLAX-DEOSSOPVSA-N 475.976 5.505 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)c1 1830770797 JWULIAILOLIIMT-CUNXSJBXSA-N 457.618 5.294 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831376177 LIBCQJAVWGWXJL-LDLZHSJESA-N 487.482 5.385 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831780549 SRJFFXBEUDNYND-XMMPIXPASA-N 455.042 5.185 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC=C(C)C)CC1)c1ccc(O)cc1 1831924830 WTJNPYNNAYKDPO-BDYUSTAISA-N 464.650 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1831949329 UASRUSQPSJNNJR-OFNKIYASSA-N 491.047 5.418 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1832029523 FTXNIWDJLKINQH-AREMUKBSSA-N 475.608 5.315 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1832169900 VGWDOLFHEWAGLA-WZONZLPQSA-N 497.064 5.021 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1Cl 1832658318 AOXBHWOLHRNHDK-DEOSSOPVSA-N 480.008 5.076 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CCC1 1832785017 BTPPEBGLBLHPPB-IBGZPJMESA-N 466.384 5.060 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CCC1 1832787273 SWFQASNHGVIOTE-AREMUKBSSA-N 455.602 5.281 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 1838423788 BLLGHTNFCXMAKG-UHFFFAOYSA-N 481.464 5.598 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C(F)(F)F)c(F)c1Cl 1847532189 KLAAIDXDZWBGTA-IRXDYDNUSA-N 458.883 5.082 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Br)cc2)nnc1-c1cccc(C)c1 10241311 JPPDPIFSLRLOBD-INIZCTEOSA-N 471.424 5.172 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836783 FDUJFWOGFMZUNE-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113309 JSBSCLVYWCPJRX-UHFFFAOYSA-O 493.571 6.570 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11161128 XTRARNQGITYMEO-UHFFFAOYSA-O 487.595 6.511 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2scc(-c3cccs3)c2c1=O 11382762 YUWARRGJRPQHTQ-UHFFFAOYSA-N 492.022 5.896 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc3c(c2)CCCC3)c1 14872064 RUFWVDJYYAAYMG-UHFFFAOYSA-O 460.579 5.374 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nc2scc(-c3cccs3)c2c1=O 16986892 UBFBVFDNMBLRCC-INIZCTEOSA-N 481.668 6.109 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 21789743 BYUKXCXBBURSHW-UHFFFAOYSA-N 465.937 5.035 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 22141864 KUUUPCATBLHAHI-UHFFFAOYSA-N 474.567 5.012 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1C1CCCCC1 22283577 DXBPMXFBAMTAQM-SFHVURJKSA-N 479.606 5.479 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)C(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 22382922 KZTGSQNEDRRXLP-QGZVFWFLSA-N 485.009 5.064 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(Br)cc2Br)c(C#N)c(C)c1C 23078615 DGPFEYZHJADCTA-UHFFFAOYSA-N 469.202 5.134 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1[C@H]1COc2ccccc2O1 26433702 GJQMAFJUQLGPRR-OXQOHEQNSA-N 461.547 5.188 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1ccco1 29991233 KPFOHAXKCZDZBQ-JOCHJYFZSA-N 460.559 5.513 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)nnc1C1CC1 36817742 XXJCTPXWQLQSJS-FOIQADDNSA-N 482.009 5.446 30 20 JKED CCc1c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)oc2ccccc12 58304176 JPWUEKVYKHPIMT-PKNBQFBNSA-N 452.482 6.311 30 20 JKED CCCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1[C@@H](CC)N(C)C 195538436 RVQXLSXQXXLUSV-GOSISDBHSA-N 474.700 5.024 30 20 JKED C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cc(F)c(Cl)cc1Cl 195544307 XWHYXKXNHQONEN-LBPRGKRZSA-N 477.323 5.346 30 20 JKED CCOC(=O)c1cc2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)ccc2[nH]1 195640041 SHMXTSIWWYMGJJ-UHFFFAOYSA-N 453.498 5.242 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)s2)cc1OC 195662729 YGGDXEIJDMXJDJ-INIZCTEOSA-N 462.556 5.144 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1 195682737 SNZCLMNUBFSFGS-UHFFFAOYSA-N 495.579 6.423 30 20 JKED Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C\c3cccc(OCCCC#N)c3)s2)cc1 207589006 HQHQTRJITMQLEO-XSFVSMFZSA-N 452.967 5.196 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1F 216506860 LUDPTFWZXIBKMO-CYBMUJFWSA-N 466.460 5.288 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(C)cccc1C(C)C 255930812 NYAWSRWGXPNYEA-UHFFFAOYSA-N 471.026 5.859 30 20 JKED C=CCn1c(S[C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1-c1ccncc1 302979984 TUEXRXKWGVXFAL-GOSISDBHSA-N 487.032 6.431 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCC(=O)Nc3cccc4ccccc34)cc2F)c1 481595509 JJFCMEUYRBVDKH-UHFFFAOYSA-N 468.488 5.190 30 20 JKED CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N(CCC#N)Cc3cccnc3)ccc2C)cc1 490186482 CFKXAOOWTKSVJU-UHFFFAOYSA-N 490.629 5.090 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2COCc2ccccc2)CC1 499976866 FEIXMYBYOBVKLH-UHFFFAOYSA-N 482.540 5.378 30 20 JKED CCCCOc1ccc([C@H](C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1OC 501460363 FUZHYYHGWWEBLC-SFHVURJKSA-N 492.576 5.088 30 20 JKED N#Cc1cn(CCOc2ccc(Cl)cc2Br)c2ccc(Br)cc2c1=O 502857588 QSNGGNPGGBKMEP-UHFFFAOYSA-N 482.559 5.131 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 504505712 DUBOGYPPKGYNJI-QRWLVFNGSA-N 460.921 5.209 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(C)C)c2c[nH]c3ccccc23)c1OC 505659510 JNNSHNOBJHIHHC-HSZRJFAPSA-N 498.583 5.798 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)cc1 508145045 XZJIIRVEDXGFRV-UHFFFAOYSA-N 471.586 5.072 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 508276196 SMMHUUDZWARSBE-UHFFFAOYSA-N 490.947 5.002 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(Cl)cc1 509901268 UUPBKTZAMRILQJ-RUZDIDTESA-N 485.975 5.630 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1 511379560 CKIQOLBPGOAMSD-VWLOTQADSA-N 490.401 6.463 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 512559918 NWVIRPJLLBYECA-GOSISDBHSA-N 481.339 5.352 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3OC(F)(F)F)cc2Cl)cc1 515883155 LOSPDVLTBQBSIT-UHFFFAOYSA-N 489.837 5.157 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3c4c(nc5ccccc35)/C(=C/c3cccs3)CC4)CC2)nc1 516138771 VPBUXNOFZXSRRO-CAPFRKAQSA-N 477.593 5.012 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc(F)ccc2Br)cc1 516142629 GDEVVSYYCSNDPQ-UHFFFAOYSA-N 455.352 5.682 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(F)c(F)c2)c1 516210302 DEFWVPGGNBWMND-UHFFFAOYSA-N 476.932 5.276 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccccc4C#N)o3)n2)cc1 516713572 ULPIXYIPCJAILN-FQEVSTJZSA-N 455.495 5.352 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3N(C)C(=O)c3cccs3)n2)cc1 518515524 YISAMLHKCCHOHH-LJQANCHMSA-N 473.579 5.647 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 518645625 NWYBWOQKEDSBLO-UHFFFAOYSA-N 484.443 5.453 30 20 JKED COc1ccc(CN2CCC(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 519870607 QCFSVEQBLVSKGJ-UHFFFAOYSA-N 484.600 5.701 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)c(C)c1 520164706 DYWSCTMWLHBRJU-KRWDZBQOSA-N 474.611 5.815 30 20 JKED N#C[C@H](NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1cccc(Cl)c1Cl 521292727 YNLBBMVFMQACGX-WBMJQRKESA-N 457.283 5.005 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)c2)cc1 521520636 RDKIALNULBXJJV-MHZLTWQESA-N 485.559 5.457 30 20 JKED CC(C)CN(Cc1ccccc1F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521842286 VIRMPHJUNKZJMA-UHFFFAOYSA-N 455.584 5.531 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 524563309 JYPBQTFNEWZOCC-HNNXBMFYSA-N 461.509 5.087 30 20 JKED Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2sccc2C)CC3(C)C)s1 594629537 BBWCXAKHMMXPCH-WAYWQWQTSA-N 498.724 6.659 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)s2)cc1 603449616 OTKVFXZUNFPGPC-UHFFFAOYSA-N 495.593 5.202 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(F)cc1I 603739165 WRHKUBGBOBKINU-UHFFFAOYSA-N 473.245 5.050 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1Cl 603758836 KGZXYZBSWBUEQU-DEOSSOPVSA-N 466.928 5.895 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)cn2)cc1 603763934 COKHZELDNOCDPR-UHFFFAOYSA-N 467.382 5.341 30 20 JKED CN1CCC2(CC1)C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1O2 603821228 NMUPDDLNFACCQL-QHCPKHFHSA-N 469.610 5.427 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(Br)c3)cn2)c1 603831093 LKIAEXXIVFEUET-OAQYLSRUSA-N 463.335 5.877 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 604155864 IYBJOLBFHUBXFD-UHFFFAOYSA-N 468.340 5.041 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1 604394781 KYFVFDWUXRUMCF-RUZDIDTESA-N 465.509 5.232 30 20 JKED COc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1NC(=O)c1cccc(F)c1 609057823 WXMKBZBFCSFYPF-UHFFFAOYSA-N 485.471 5.383 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)n1 609064762 HGDYBGXXEIBQOH-UHFFFAOYSA-N 456.527 5.373 30 20 JKED C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613402591 DFZGLUTXMGYYRU-KDOFPFPSSA-N 474.007 5.003 30 20 JKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 618547159 HRWUIRSTCFEBGN-CIUDSAMLSA-N 455.201 5.966 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 630032640 VABMLIDOKVGHHD-UHFFFAOYSA-N 480.634 5.130 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCCOc1ccc(Cl)cc1Br 684255762 YJDLSCJVIDSOQI-UHFFFAOYSA-N 485.879 5.080 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 726413502 TZKLREGYLRIPTO-CYFREDJKSA-N 468.582 5.093 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1cccc(COC(C)(C)C)c1)c1cccs1 726415206 FXGVCPGKFYQGQU-YUGFFRFOSA-N 499.702 5.293 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CC1)c1cccs1 726420831 JJNYBFOGNNFINL-SZSMCSAESA-N 478.437 5.063 30 20 JKED CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1OCC 726428524 NLTYCDBLBFTYDS-VQHVLOKHSA-N 476.367 5.500 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OC(C)C)cc2)cc1 726571347 UOXDQQXGXWTAHK-UHFFFAOYSA-O 464.998 5.918 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@H](C)c2cccs2)c1C 727252018 NRJMJZFYFVVXHO-PKWGXKOHSA-N 495.674 5.171 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1 727628996 ZFJIYMWTTHSNGD-VWLOTQADSA-N 474.944 5.402 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)cs1 727779904 BEIMGMTXTDLFEG-VGOFMYFVSA-N 471.351 5.860 30 20 JKED Cc1ccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Br)c1 728200614 LSMYCGFTQFIIRJ-UHFFFAOYSA-N 468.326 5.398 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3\CCOc4ccccc4C3=O)cc2OC)cc1 728441228 HLGNYZKUZKWMCW-CAPFRKAQSA-N 473.525 5.160 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1 728676730 ZOQZNBNCZFSCSI-UHFFFAOYSA-N 451.573 5.152 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 728687947 QSSDLTKTTQSCSK-VWNXMTODSA-N 475.390 5.505 30 20 JKED O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(SC(F)F)cc1 728976410 WCTGZCLQWQATHS-MRXNPFEDSA-N 459.358 5.200 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 729037934 DPNYHFJSQFWZPM-UHFFFAOYSA-N 478.593 5.770 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1C 729142796 LQECQYYUVBTUDN-FQEVSTJZSA-N 482.606 5.368 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 729145644 MWPVJKCICADDBM-JOCHJYFZSA-N 486.622 5.765 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 731024602 ASYLTDHERHUBHM-OAXWQBPPSA-N 477.611 5.603 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccccc1 731072120 ZXEJLOCJJTUZTR-SFHVURJKSA-N 462.575 5.043 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 731114742 XAXOLSKMFAMYAR-DJJJIMSYSA-N 457.905 5.163 30 20 JKED N#C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1cccc(Cl)c1Cl 731195255 CBMFKODVPXJQEI-SFTDATJTSA-N 451.309 5.442 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S 746032679 GVUFXGIUJHNROX-UHFFFAOYSA-N 454.603 5.264 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(-c3ccccc3)c2)cs1 746347157 YCTOBECKIRBXNY-NTCAYCPXSA-N 458.970 7.044 30 20 JKED COc1ccc(OCc2nn(CN(C)C[C@@H](C)C#N)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 746706978 TZAFJVPMVPEJOV-INIZCTEOSA-N 491.539 5.059 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cc1 747695720 NTDRVMJBJCGYQH-DEOSSOPVSA-N 466.509 5.672 30 20 JKED COc1ccc(-n2c(-c3cc(Cl)ccc3OC)nn(CN(CC#N)C3CC3)c2=S)cc1Cl 747789460 YOPOACYLMPZYHA-UHFFFAOYSA-N 490.416 5.340 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2Cl)n1 748036461 OEECBRSYTAHWDQ-HXUWFJFHSA-N 498.967 5.043 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCc3cccs3)C2=O)cc1 837301335 WFSTYPUGFBYPHH-JOCHJYFZSA-N 495.601 5.293 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3ccccn3)C2=O)cc1 837397883 LPHARLTZRWKXFG-NTKDMRAZSA-N 488.613 5.510 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 838235783 SVXZZPBVRFKBQZ-MBSDFSHPSA-N 476.577 5.559 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CCCC2)C1=O)Nc1ccc(F)cc1F 838585818 WURGWNKKHVHAFC-LJQANCHMSA-N 465.472 5.146 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2cccc(Br)c2)o1 839414338 DKILWSBLWDQGRM-UHFFFAOYSA-N 499.390 5.449 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(-c2nc3ccccc3s2)o1 853828295 GWPVLCIHVXXTDF-INIZCTEOSA-N 475.526 5.057 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 914543534 JHZFXVYHMPOQTL-OAQYLSRUSA-N 495.004 5.213 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](C)Cc2cccs2)C1=O 914694342 HUEMOJGXWYLIAD-JTSKRJEESA-N 479.627 5.348 30 20 JKED CC(C)[C@H](NC(=O)c1cccs1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104084 JXMRMDIGFJNMDJ-LRDDRELGSA-N 451.495 5.007 30 20 JKED Cc1oc(NC(=O)COC(=O)c2ccc(-c3ccc(Br)cc3)s2)c(C#N)c1C 915464159 OLEUWSOBRGQRJU-UHFFFAOYSA-N 459.321 5.055 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)s2)o1 915467763 MCUPODUDQCXIAA-UHFFFAOYSA-N 466.563 5.221 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1-c1ccc(F)cc1 915644740 OAKRMJSYFJXAOM-HSZRJFAPSA-N 457.530 5.319 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)cc2)cc1 915802534 XZOJGZRXRAHJEK-JOCHJYFZSA-N 462.452 5.037 30 20 JKED COc1cc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)ccc1OCC#N 916151689 QXORYMPGNRVSJL-QPEQYQDCSA-N 488.341 5.230 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916205815 RLNVBRYABDPMQF-KRWDZBQOSA-N 497.335 5.163 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1 916207498 ZWVFVJDBMJAEKE-GOSISDBHSA-N 481.927 5.790 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 916211176 AXKZPIAYKDRULO-HXUWFJFHSA-N 455.486 5.027 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)c(OC)c1 916211754 PKIZXTGYAKJESF-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)cc1 916217745 WGMZQTJVBZQXCZ-IBGZPJMESA-N 476.385 5.319 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ncc(Cl)cc2Cl)cs1 916316567 DRDZKBSPIJYPFB-UHFFFAOYSA-N 474.295 5.994 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC 916902520 ZAXSQTJCOHOWEX-CQSZACIVSA-N 465.333 5.069 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCN1c2ccccc2Sc2ccccc21 916903516 SXUMQWYWBMTHID-QGZVFWFLSA-N 492.000 5.997 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C2SCCCS2)cc1 916905802 PRLHSVZFQXZZCQ-OAQYLSRUSA-N 474.607 6.309 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1Cl 916937886 GPHQMRDRKGMMAP-IBGZPJMESA-N 497.382 5.418 30 20 JKED Cc1cccc([C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC(N)=O)c1 916996189 HUSRCGKHOYFPTQ-FUHWJXTLSA-N 473.385 5.401 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2cccc(C)c2C)n1 917669707 FGEYXITVGPOOKB-QHCPKHFHSA-N 494.567 5.446 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)NCCCN2c3ccccc3Sc3ccccc32)c1 918270557 RDNGWINAUTYKNB-UHFFFAOYSA-N 486.597 5.117 30 20 JKED O=C(c1cc(-c2ccccc2)nc2cc(F)ccc12)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 919757239 QDZRXSRRRITNAS-GJZGRUSLSA-N 470.388 6.244 30 20 JKED COc1ccccc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1nccn1C 919899854 XELGMSJGRIRWKY-VWLOTQADSA-N 467.529 5.312 30 20 JKED Cc1ccc2sc(-c3ccc(N(C(=O)c4ccccc4OCC#N)C4=NCCCS4)cc3)nc2c1 919992892 LLBILQHGPQWNJE-UHFFFAOYSA-N 498.633 6.314 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Sc3ccccc3)c3ccccc3)n2)cc1 920142677 MDDGJUXHQMLHQE-RCZVLFRGSA-N 456.592 6.529 30 20 JKED CC(=NOCc1coc(-c2ccc(Br)cc2)n1)c1ccc(NC(=O)C2CC2)cc1 920485605 KBLIJHDGBJZXKU-UHFFFAOYSA-N 454.324 5.393 30 20 JKED N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 920805655 DZODZEYVEOZNGI-LBPRGKRZSA-N 457.552 6.057 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)COCC(F)(F)F)C2=O)cc1 921255028 WLCKEYCBFWWXGU-DNVCBOLYSA-N 497.514 5.062 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCOCC(F)(F)F 932752444 PJKFPYYDJBHYRN-GOSISDBHSA-N 499.942 5.188 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c3ccccc3n3ccsc23)C1 1780003043 ODLRAYWGWNSABC-SKCUWOTOSA-N 493.673 5.274 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)[nH]4)CCC3)cc2)cc1 1785796102 SLEDVHMHMZOJFQ-UHFFFAOYSA-N 480.490 5.286 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786175468 WIPKOPYYKSZYMW-VXKWHMMOSA-N 468.544 5.185 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CCC2)cc1 1786365852 SUEOAULMOHVNMH-VXKWHMMOSA-N 468.544 5.185 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C(F)(F)F)cc3)CCC2)cc1 1786677199 HQURFVNADUOLGA-UHFFFAOYSA-N 462.537 5.301 30 20 JKED COc1cccnc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1786828873 GKQQRQDSMVYUMZ-HXUWFJFHSA-N 482.584 5.098 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(Cl)cc5)cc4)CCC3)c2c1 1787765037 SMYMXDZETFCTHY-UHFFFAOYSA-N 483.959 5.078 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4N)cc3)CCC2)cc1C#N 1788074034 QVVIXFMAKFIXDA-OQLLNIDSSA-N 494.595 5.389 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)ON=C(C)C)CCC2)cc1 1788509286 RYELAKIDPAPJNU-QGZVFWFLSA-N 496.011 5.099 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3Br)CCC2)cc1 1789456266 PVOUKNAWNVYPFP-LJQANCHMSA-N 468.395 5.360 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC(C)C)CCC2)cc1 1790519221 HTOCJUPAEJQPPY-NRFANRHFSA-N 457.615 5.026 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc(C(F)(F)F)c3)CCC2)cc1 1790570050 QOVXRFYVYOIUIR-KRWDZBQOSA-N 475.511 5.183 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnn4c(-c5ccsc5)ccnc34)CCC2)cc1 1791247685 GDKGZLHYNOXFPV-GOSISDBHSA-N 485.613 5.418 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)CCC2)cc1 1791250153 IMGXWKGZOMFNKU-MRXNPFEDSA-N 470.495 5.313 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3=CC(C)(C)N(C(=O)c4ccccc4)C3)CCC2)cc1 1791252084 HDHAOZREJFNNGC-NRFANRHFSA-N 485.628 5.194 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4cn3)CCC2)cc1)c1ccc(O)cc1 1791646192 IJWOADNGLYFNQE-NRFANRHFSA-N 493.563 5.478 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(Cl)c4)CCC3)cc2)c1 1792122394 LFMTVQUAGNKNEM-QGZVFWFLSA-N 458.949 5.424 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1792173525 LUFDMRDRGXEQGD-OAHLLOKOSA-N 479.474 5.393 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC3CCC3)cc2)CCC1 1792271458 AUJINLODQADNFX-QFIPXVFZSA-N 469.626 5.170 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cccnc3)cc1)C2)c1ccccc1 1798556781 HJJPCGDZYOCZFG-VJLHXPKFSA-N 477.608 5.198 30 20 JKED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1 1800666022 SCDONPUHPMVEJL-XARGGIHNSA-N 468.688 5.185 30 20 JKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(C)(C)C)cc1)C2 1802313247 SHVSYTHNZWJTHO-KIHHCIJBSA-N 497.680 5.154 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)C3)c1 1803678466 BWJDVRJKANRUQK-FTQMAWMCSA-N 497.517 5.177 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)cc1Cl 1803684001 DPWVRWLTXGYLAZ-OCYFJXFZSA-N 480.008 5.320 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1804164761 UGHSFOKDDIEIKK-RBJSKKJNSA-N 485.628 5.312 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1)c1ccccc1 1805623062 GHCNDAFMJSAOHG-XMMPIXPASA-N 478.036 5.496 30 20 JKED Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)C2)cc1F 1805955419 CNPJHKIMRLFMQT-UHFFFAOYSA-N 481.999 5.137 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808829622 WFDBFMDAQPOQNL-JBRSBNLGSA-N 486.641 5.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808829623 WFDBFMDAQPOQNL-OYRHQHFDSA-N 486.641 5.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CC(C)C)cc2)[C@H]1c1cccnc1 1810174657 OMMGXHZHEBNHCQ-VJGNERBWSA-N 459.634 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1810183397 VDHUDSCVSXZLKB-YOSAUDMPSA-N 475.614 5.090 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1ccccc1 1810445101 YCIAREJHARUOAR-FXVJXKIMSA-N 486.015 5.252 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)CCC2CCC2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811245281 URXDIRYOQUJNHE-IGYGKHONSA-N 491.635 5.381 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811273274 ONIAONNJUMLELK-CMYDWJSCSA-N 496.655 5.577 30 20 JKED CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1811976063 FSRGUFKPMGFZRP-XNMGPUDCSA-N 475.709 5.015 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(OC(F)(F)F)c2)[C@H]1c1cccnc1 1812050421 HOLFJZWZIVAKLX-HZUJVAHNSA-N 495.929 5.165 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccc(C)cc4s3)[C@@H]2c2cccnc2)c1 1812221242 FOSXWXMRDVVHOO-HOFKKMOUSA-N 494.620 5.418 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1812932882 ATHKCJBAPKGZBW-CUNXSJBXSA-N 490.623 5.333 30 20 JKED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1813043143 JWDLMDXLYSCKRY-RIACCQAKSA-N 481.706 5.379 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1813937261 DEHJDBMUWUEHBM-FDDCHVKYSA-N 473.951 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(OC)c2Cl)n[nH]1 1814611680 RMVRVGQPIKVPAK-SFHVURJKSA-N 489.016 5.379 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)[nH]n1 1814829787 WIVQULZPIFGMSD-VQIMIIECSA-N 458.653 5.413 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(Cl)s3)n[nH]2)c(Cl)c1 1815731372 OWRTYORYJWCBFD-GOSISDBHSA-N 488.400 5.198 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccoc3C(F)(F)F)sc2C1 1817514050 OELIGLJIGOIMTQ-CQSZACIVSA-N 497.615 5.032 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(F)(F)F)c[nH]2)n[nH]1)c1ccccc1 1818208205 WPXOLYMAYHTVND-DENIHFKCSA-N 497.521 5.260 30 20 JKED N#Cc1cccc(CCC(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4cc5ccccc5o4)sc3C2)c1 1818631721 VTVVZFZXUVPKAN-BGVYSJOJSA-N 496.592 5.019 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)[nH]n1 1820977658 TUJSIYFYSLKMNR-RDTXWAMCSA-N 480.396 5.132 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1ccccc1 1821279421 BPRLUCJIMUUCNF-HXOBKFHXSA-N 475.980 5.434 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)[nH]n3)sc2c1 1821525447 WRDHKQVMKXRQAC-JOCHJYFZSA-N 483.597 5.353 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(Br)ccc2Cl)[nH]n1 1821926398 OUWDNAYERMMGNF-KUHUBIRLSA-N 493.833 5.273 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc(F)c(F)c(F)c2)n[nH]1 1822284026 LAOGQKJNAXXJOU-AQFFIDQGSA-N 472.511 5.301 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3Cl)[nH]n2)c1 1823218498 SAVDAHUTXKXAFD-AOMKIAJQSA-N 461.953 5.310 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1823255767 CZWQQPWGTWXANR-KSFYIVLOSA-N 491.979 5.318 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3OC(F)F)n[nH]2)c(Cl)c1 1823266663 WQSCXPQGOVSINV-IBGZPJMESA-N 499.905 5.156 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)cc1)C(F)(F)F 1823380438 AWAGMKXAGVRNDU-OXJNMPFZSA-N 487.526 5.004 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1823753145 FXVQPORBPKSEMC-JOCHJYFZSA-N 485.072 5.522 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1 1823896625 XMFKCPJRZYZJSI-VWLOTQADSA-N 481.999 5.217 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1824393044 WQZSNOOYBPDJRU-HFZDXXHNSA-N 475.658 5.167 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)CC1 1824443432 QFESBCKPGUPCLY-GMAHTHKFSA-N 476.633 5.445 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3scnc3C3CC3)CC2)c1Cl 1825645310 ILOTXMXWGBILGN-HXUWFJFHSA-N 483.037 5.093 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)CC1)C(F)(F)F 1826400077 JMKYCYUFINTWQH-QHCPKHFHSA-N 458.524 5.121 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826438467 AYCQLJMLSYZEMB-VGOFRKELSA-N 467.437 5.204 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)CC1 1827167935 KZEIHEWLKQYKIA-HHHXNRCGSA-N 461.650 5.489 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3C#N)CC2)s1 1827906985 XKOLOUCFSZIXBR-QFIPXVFZSA-N 493.673 5.230 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1828456880 YSPFHXCENLZAGB-RCOXAODPSA-N 458.687 5.195 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C#N)c2)CC1 1828827156 IYEROBMCVDUBFL-LADGPHEKSA-N 498.465 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Sc2ccccn2)CC1 1829070047 GJDIKYZDOFCEAC-IFMALSPDSA-N 457.684 5.174 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829520027 QCCKLEHHVRUNLQ-XTEPFMGCSA-N 471.645 5.750 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)c1 1829675939 MEQOSOGISDIPKZ-VSGBNLITSA-N 487.644 5.240 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830536658 NTIZUQWYCXNEFQ-LJQANCHMSA-N 469.935 5.142 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 1830718693 LCCLQLXPZNJRDF-HHHXNRCGSA-N 469.560 5.398 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c3n[nH]cc3c2)CC1 1830863785 FUFORJHQPDNVLD-QHCPKHFHSA-N 450.627 5.097 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c3n[nH]cc3c2)CC1 1830865350 FRFGPBSQQNKUOT-HSZRJFAPSA-N 450.627 5.097 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)CC1 1831204673 VPZULZIYLGTSLV-JCYYIGJDSA-N 479.709 5.458 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831209311 RSGAMQIGGBNUMS-BVRKHOPBSA-N 499.699 5.283 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307371 RNCVTGFWIYDUJQ-XMMPIXPASA-N 495.491 5.529 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1)C(F)(F)F 1831452136 VGWQHRMJAHNIKU-IQFVJIFQSA-N 489.582 5.103 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)CC1 1831587368 AYRKXFAVYWFCAH-BOMYWPOKSA-N 450.623 5.097 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832709453 VLDHXDWBTDLNSA-SFHVURJKSA-N 482.440 5.420 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)CC1 1833078970 JHAYQPICQMPLGU-UHFFFAOYSA-N 459.719 5.157 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)CC1 1833079280 USESPZUNRWFILF-UHFFFAOYSA-N 497.083 5.066 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)c3ccc(Cl)cc3)CC2)CC1 1833193628 RKEFJYFGFFQBIN-HXUWFJFHSA-N 474.089 5.008 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC(C)(C)C)C2 1845226999 ABHBDUUFAFEAOO-NRFANRHFSA-N 479.706 5.270 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(C#N)cc4Cl)C3)ccc21 1845488499 SOWQWJDWDVPFBA-UHFFFAOYSA-N 496.998 5.470 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)cc1 1847212037 DIIDQPAUDIOXQA-VUCUJVDMSA-N 490.047 5.320 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 10174657 MRVYAJDZMIOPJM-UHFFFAOYSA-O 482.673 6.134 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1 10831696 UOJRTNUYVBYZAD-UHFFFAOYSA-O 492.451 6.923 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccc(Cl)cc1Cl 10836738 KLRPSERCVFUOCS-UHFFFAOYSA-O 461.438 5.850 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c2c1=O)CCCC3 17652917 LFJOEZUSLCHNFT-ZDUSSCGKSA-N 495.586 5.334 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2C2CCCCC2)cc1OC 20042565 DMDWFRYEGFUEOA-UHFFFAOYSA-N 491.617 5.264 30 20 JKED C[C@@](C#N)(NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)C1CC1 21609736 VNOOKRBWKGSBJO-QFIPXVFZSA-N 472.401 5.142 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccc(F)cc1 22100657 SLDYKNWQUNVWAN-IBGZPJMESA-N 472.589 5.657 30 20 JKED C=CCn1c(SCC(=O)c2ccc(F)cc2F)nc2scc(-c3cccs3)c2c1=O 22458591 DMPXUBBXTFRXLH-UHFFFAOYSA-N 460.552 5.626 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)n(C2CCCCC2)c1C 24718162 PBUMESXCWVHORX-UHFFFAOYSA-N 453.543 5.402 30 20 JKED Cc1nc(-c2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)cs1 30586649 BKSLISXZCKZTDF-UHFFFAOYSA-N 459.531 5.093 30 20 JKED CCCCCCn1nc(C(=O)N(CC)C/C(O)=N/c2c(F)cccc2F)c2ccccc2c1=O 31347969 SUNOZXZIBHMQEH-UHFFFAOYSA-N 470.520 5.005 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1=S 31435868 IKEBLJROZTXZFI-KRWDZBQOSA-N 468.026 5.674 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1 32249064 QJMBGYKTDIRJMV-UHFFFAOYSA-N 452.510 5.377 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc2ccccc2c(C)c1C(=O)OCC 32785304 YTTRXJQGQCDITJ-UHFFFAOYSA-N 458.587 5.381 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)nc2cc(Cl)ccc2c1=O 36827846 FYSVYRKJXOHQEH-UHFFFAOYSA-N 494.020 5.078 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)c2)c1 195574330 LNSARDWIZAPLMY-UHFFFAOYSA-N 462.431 5.594 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1nc2cc(Cl)ccc2s1 195664284 INVIFYAFYWRZMN-GOEBONIOSA-N 475.904 5.032 30 20 JKED C=CCN(C(=O)CSCc1cc(-c2cccs2)on1)c1nc(-c2ccccc2)cs1 488387673 VERQHRPYUWZZND-UHFFFAOYSA-N 453.614 5.979 30 20 JKED CC(C)Cn1ncc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cnc21 499209231 HZUZUSRWCMEYIU-KRWDZBQOSA-N 470.385 6.008 30 20 JKED N#C[C@@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 499578198 WSKXLJVSMBPMMV-INIZCTEOSA-N 460.584 5.007 30 20 JKED CSc1nn(-c2ccccc2)c(NC(=O)CCCOc2cccc(Br)c2)c1C#N 501731074 ULWKTXWYUWCYJC-UHFFFAOYSA-N 471.380 5.026 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 502752933 VIPYRSFUAGBFSQ-UHFFFAOYSA-N 480.943 5.554 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 508358148 LBCQTMDXTHWKJY-HSZRJFAPSA-N 455.949 5.221 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 508460532 ZEVNGRCXSXWHNZ-DEOSSOPVSA-N 493.519 5.158 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 510224302 UBNPNFWTTRAQAC-UHFFFAOYSA-N 478.346 5.153 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CCOCC2)cc1 510646159 PAAQBRJPWBINQK-UHFFFAOYSA-N 471.557 5.619 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2)c1 511499175 LYOPBIGPSQGCLR-QFIPXVFZSA-N 467.554 5.789 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 512135931 ALLRXGGIVYNCEX-UHFFFAOYSA-N 469.522 5.692 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccc(C(F)(F)F)cn1 513201183 GFJRZMZLYRJCRN-INIZCTEOSA-N 488.263 5.605 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 513866137 ODMMIGFQWQNCQJ-UHFFFAOYSA-N 478.527 6.184 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 515542725 ZWDRTZVJAGJBHC-SFHVURJKSA-N 461.543 6.062 30 20 JKED CC(C)C(=O)Nc1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cs1 515710936 GWNMUJAHFCRCER-UHFFFAOYSA-N 454.939 5.236 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1 516141371 HABRCTDCEDIYQM-UHFFFAOYSA-N 481.577 5.304 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ccccc2SCCC#N)nnc1-c1ccccc1 517440958 JKAFXIGUSSKRHB-KRWDZBQOSA-N 451.621 5.653 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 517461624 ZBCOJWHAPKFHEN-UHFFFAOYSA-N 495.979 6.593 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cccnc3Oc3ccc(Cl)cc3Cl)CC2)c1 517860563 PQMXQBWNZNDHLY-UHFFFAOYSA-N 468.340 5.736 30 20 JKED Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1F 519053769 RYDAUJMNRPVYIZ-UHFFFAOYSA-N 486.547 5.358 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)sc2n1 520427488 LFJIKGAVUDEYJI-LLVKDONJSA-N 486.525 5.047 30 20 JKED Cc1nc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)sc1SCC#N 521076565 WIWFWQXTWQKQMA-UHFFFAOYSA-N 472.389 5.313 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521220797 MIXXDLSUHOPNRX-CYBMUJFWSA-N 477.537 5.946 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(NC(=O)CCN4CCCCC4)c3)c2)cc1 521311780 KKARIIOQTVIBAX-UHFFFAOYSA-N 468.557 5.417 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 521743076 ZWLFABGUQYWQNQ-JOCHJYFZSA-N 465.525 5.009 30 20 JKED C=CCn1c(SCC(=O)N(C)c2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 523288311 JORDHAOQQLYUNP-UHFFFAOYSA-N 451.354 5.332 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)(C)C)cc1 523920471 BAVQEZXNFHDKIV-XMMPIXPASA-N 457.530 5.201 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCNC(=O)Nc3ccc(Br)cc3)cc2)c1 524390096 RJUFTUCVEXUCSN-UHFFFAOYSA-N 493.361 5.050 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccccc1F 561136102 RCKDTXGUNMVRCW-KRWDZBQOSA-N 483.638 5.865 30 20 JKED C=CCN(C(=O)c1cnc2ccc(C)cn2c1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 569954444 UCEAPKHEDCRGFX-UHFFFAOYSA-N 478.577 5.626 30 20 JKED CCn1c(SCC(=O)N(Cc2ccccc2)c2ccccc2C#N)nnc1-c1ccc(Cl)cc1 574109690 XHUKYMKTNUJRHP-UHFFFAOYSA-N 488.016 5.816 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N(CCc1ccccn1)Cc1ccc(F)cc1 588968200 RFLUESORCOPPJN-UHFFFAOYSA-N 455.455 5.046 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)c1nc2c(s1)CCCC2 601635888 VKSAQEKABLNQRS-IBGZPJMESA-N 489.641 5.255 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1 603995535 JMSJOEQSDFLAMD-UHFFFAOYSA-N 458.568 5.485 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 604327288 HHOFJNSHKNINGW-BWTSREIZSA-N 470.413 5.777 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)cc1 604460746 ZSMWHQPZHUZZHY-GASCZTMLSA-N 457.374 5.945 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1ccc(COc2ccccc2C#N)o1 604570465 YJSYVYRWBIZQBY-UHFFFAOYSA-N 459.477 5.229 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062190 DYMWFLXYSYIEAY-UHFFFAOYSA-N 473.964 5.179 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)c2)cc1 609176326 HMDUQLSMLONXBL-UHFFFAOYSA-N 455.495 5.384 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2nc(C(C)(C)C)cs2)cc1 609208179 FXODIFGMJMFFAY-UHFFFAOYSA-N 450.564 5.477 30 20 JKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 613005318 CYTCARMVNXQYSN-LLVKDONJSA-N 486.359 6.072 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F 613404213 OTPYECAOUXEKDV-IBGZPJMESA-N 453.452 5.774 30 20 JKED CC(C)(C#N)c1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3C(=O)c3ccccc3)C2=O)cc1 614568343 UBZCYMWCVWSHNP-JOCHJYFZSA-N 471.944 5.116 30 20 JKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301596 SMMGXLOYXBQFHC-QWRGUYRKSA-N 456.333 5.142 30 20 JKED O=C(NC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 642393112 FOSJUWYIFMCAJG-UHFFFAOYSA-N 477.380 5.290 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1=S 725785942 CUHZCPVIZNGZIM-HXUWFJFHSA-N 483.726 5.395 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1 726324993 IQVXHYGTQUADNM-SFHVURJKSA-N 475.551 5.090 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@H](C)OC)c1 726395813 BRNUZJILVJLMIW-BTYIYWSLSA-N 490.025 5.042 30 20 JKED Cc1[nH]c2ccc(CN3C(=O)[C@H](CC(=O)NC4CC4)S/C3=N/[C@H](C)c3cccs3)cc2c1C 726415224 GBLZBNXBMSWWIU-IMPGVWCTSA-N 480.659 5.076 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 726421242 OTNRLCSOBFCTEY-LLGAJQRVSA-N 496.702 5.073 30 20 JKED Cc1ccc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Oc3ccccc3)cc2)c1 726570229 YNYQGGUQXYGQAM-UHFFFAOYSA-O 482.585 5.581 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccc(C)cc2)c1 726572412 DAKYVTVJXWXRPZ-UHFFFAOYSA-O 470.618 5.384 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)c1 726639007 QLEKMSQMWVJQDI-UHFFFAOYSA-N 480.307 5.851 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 726854541 OMNFAFUIHPDVDT-BJKOFHAPSA-N 479.502 5.957 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(F)c2)cn1 726888335 BKLUHZXTVQLIMF-QFIPXVFZSA-N 492.576 5.007 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1ccc(Br)cn1 727266478 UOIIQGNVWJJYTK-UHFFFAOYSA-N 486.329 5.249 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1)c1ccc(F)cc1F 727654023 FPOHFKMUGOWWKR-PKNBQFBNSA-N 495.576 6.742 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728766953 QAXQXLSWXXWZAK-FQEVSTJZSA-N 459.889 5.282 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1 728777237 FCCQABRNYINDCN-DBNUBOGESA-N 454.621 5.140 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cocn3)C2=O)c1 730715713 QDYJGJCQWDGQKK-FQEVSTJZSA-N 468.966 5.105 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2cocn2)c1 730723240 FPTPIVGJEKFNOF-LJQANCHMSA-N 499.379 5.123 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccc(Br)cc1 731074223 LPSQLXZGFOZLFM-HUUCEWRRSA-N 493.448 5.363 30 20 JKED C[C@H](CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1)c1ccc(F)cc1 731306594 NGXQHAVVZAEGOV-UZUQRXQVSA-N 477.561 5.295 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(Cl)c2)c1 731307964 KEHWFTIBHFBZGA-JOCHJYFZSA-N 495.988 5.215 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccc(Cl)c1 731312693 OFPUWQMMVTYLAC-JOCHJYFZSA-N 490.972 5.078 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)c1 743527144 ZORXKYDVMKBRHF-JOCHJYFZSA-N 480.540 5.137 30 20 JKED CCOc1cccc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)c1OC(F)F 744807367 ZLGCHNWPUNZZJU-UHFFFAOYSA-N 462.522 5.152 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 748584237 MSOJXFSTANASPF-ZHACJKMWSA-N 456.329 5.399 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 749338589 RQFZVLOISRJGPS-JOCHJYFZSA-N 497.576 6.351 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 749361287 NBLXYHWKSJBWFK-UHFFFAOYSA-N 460.541 5.428 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)ccc1OCC(F)(F)F 750921669 HQSQDYXPYRNZAV-UHFFFAOYSA-N 488.438 5.057 30 20 JKED C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 751165197 FCRTZHILGRRRCN-UYAOXDASSA-N 465.619 5.475 30 20 JKED C=CCOc1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 769674339 ULLICKHHQUAMKH-RBJHHQRMSA-N 450.318 5.150 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C(C)C)cc1 799214113 ASVMWUONFFXDKP-HXUWFJFHSA-N 484.419 5.166 30 20 JKED Cc1oc(NC(=O)COC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(C#N)c1C 821868244 FDXBYNSTRHHGMI-QHCPKHFHSA-N 468.962 5.426 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 837324893 CMIAORMAZOCDHA-JTSKRJEESA-N 479.005 5.765 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1cccnc1 838220881 RTJHJXNBEUXJJV-MWTRTKDXSA-N 494.567 5.644 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1OC 838504135 UMTDVTOXXQWCID-SFHVURJKSA-N 465.497 5.084 30 20 JKED CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(-c2ccc(COc3ccccc3C#N)o2)n1 904598557 XPKDCKPRTWTMHE-UHFFFAOYSA-N 462.893 5.099 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)c1 914692108 UYLIWZMIUUJWBK-VGSWGCGISA-N 465.550 5.319 30 20 JKED N#C[C@H](C(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102815 ICZGMQGUWCHRQJ-RHSMWYFYSA-N 470.381 5.884 30 20 JKED COc1nn(C)c2nc(C)c(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c(C)c12 915104978 PZCQNMBIKQATMA-HNNXBMFYSA-N 487.507 5.031 30 20 JKED O=C(c1cc(F)ccc1F)C1CCN(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 915708537 AGRJOIQXEMFEDH-RJRFIUFISA-N 491.378 6.137 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 916074254 IYBNODWGJKBFMB-KRWDZBQOSA-N 470.504 5.062 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916207297 YQPAWHSKXNJKBN-SCLBCKFNSA-N 496.391 5.272 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(SC(F)F)cc1 916213862 HIPOGZKEDMMFRG-QGZVFWFLSA-N 499.992 5.261 30 20 JKED N#C[C@@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1ccc2ccccc2n1 916848754 PJSWDJSMKGZBGR-GOSISDBHSA-N 452.564 5.875 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 916907489 IKXDZNXFWLYQQW-VKNLVWNJSA-N 466.415 5.738 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 916925431 JWDCSPFNHKAHTR-QHCPKHFHSA-N 496.519 5.040 30 20 JKED N#C[C@@H](C(=O)CCSc1ccccc1Br)c1nc2ccccc2n1C(F)F 917042611 GWIBPMKEFMBXFN-LBPRGKRZSA-N 450.308 5.553 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccsc3)C2=O)c1 917665419 ZWFLWDFTLYTROS-JOCHJYFZSA-N 495.626 5.234 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1cc2ccccc2o1 917700181 NUIMGTZWMSTUJN-VWLOTQADSA-N 494.576 5.143 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1Cc1ccco1 917702718 IDVXYOUWPFKBLD-LJQANCHMSA-N 499.379 5.619 30 20 JKED CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 918381815 AACSGUXVVOVMAD-UHFFFAOYSA-N 455.942 5.590 30 20 JKED C=C(Br)COC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 918899131 BJBHREOLROTCQD-GFCCVEGCSA-N 465.394 5.137 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920105791 MGTFOBMHRMMYAX-KRWDZBQOSA-N 475.957 5.957 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3nc(-c4ccc(F)cc4)no3)n2)cc1 920143175 UPJNVTGNBQRXQQ-LJQANCHMSA-N 457.490 5.070 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cccc(OCc2ccccc2C#N)c1 920415974 GDHGWWBPTRAYGF-IBGZPJMESA-N 456.542 5.446 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)COCC(F)(F)F 921252272 GJTQJJYBTGVXIC-BEFAXECRSA-N 497.514 5.062 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)COCC(F)(F)F)C2=O)cc1 921255030 WLCKEYCBFWWXGU-KXBFYZLASA-N 497.514 5.062 30 20 JKED N#Cc1ccc(CN(Cc2ccccc2F)c2ccc3nc(O)[nH]c3c2)c(Br)c1 1459678850 VJRNWRWRTAZIKQ-UHFFFAOYSA-N 451.299 5.249 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3oc3ccccc34)C2)C1 1782586562 BDKPCSLYEYAWPP-NDEPHWFRSA-N 460.574 5.022 30 20 JKED Cc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1786503066 WHLHLRGBEIMHLK-UHFFFAOYSA-N 468.557 5.110 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)/C=N/N5CCCCC5)CCC4)cc3)c[nH]2)cc1 1787029873 CYYNNAYHOCVDOH-AJBULDERSA-N 483.616 5.210 30 20 JKED CC[C@H](C)[C@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)NCCC#N)cc2)CCC1)c1ccccc1 1788029434 VDCQBJIOVCBJFX-OFVILXPXSA-N 474.649 5.232 30 20 JKED CC(C)(C)CCCCCC(=O)NC1(c2ccc(NC(=O)C(C)(C)NCCC#N)cc2)CCC1 1788031825 ZKBCKJXOUVFQMU-UHFFFAOYSA-N 454.659 5.399 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CCc3ccsc3)CCC2)cc1 1788649738 UWMYGDQUGMVDFV-PKNBQFBNSA-N 464.612 5.315 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1788650053 SRVSYOXCWVPYLT-VAWYXSNFSA-N 497.576 5.590 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4OCCO5)cc3)CCC2)c1 1789004174 PHZGUHRBNHQRIC-IBGZPJMESA-N 481.552 5.146 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5occc5n4-c4ccccc4)cc3)CCC2)CCC1 1789994749 SFRGHNLLMWHPKL-UHFFFAOYSA-N 478.552 5.665 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4n[nH]c5cc(Cl)ccc45)cc3)CCC2)cc1 1790373657 NFRNOVSFWNDGHS-UHFFFAOYSA-N 497.986 5.273 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5ccccc5n4C)CCC3)cc2)c(C#N)c1 1790473161 YXEIUEADRLCVTB-UHFFFAOYSA-N 492.579 5.049 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1 1790520035 UFTFGMWLRDKLRO-OAQYLSRUSA-N 483.634 5.355 30 20 JKED Cc1c([N+](=O)[O-])ccc(F)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707877 RTJWJWHIEDEZBZ-UHFFFAOYSA-N 486.503 5.170 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)CCC2)CC1 1790740617 BIMZAFDMMLLUNA-UHFFFAOYSA-N 475.552 5.281 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3c(Br)cccc3OC(F)(F)F)cc2)CCC1 1790757157 ATGQWXFEXIOTJQ-UHFFFAOYSA-N 496.283 5.009 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C(F)(F)F)c4)cc3)CCC2)c1 1791192833 MYBDXWOXLJXXDL-UHFFFAOYSA-N 484.453 5.035 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cccc(Br)c3F)CCC2)cc1 1791580564 GDKIPQKITNLPAV-UHFFFAOYSA-N 471.370 5.068 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc(C4CC4)on3)CCC2)cc1)c1ccc(O)cc1 1791644909 UDKBMWWICHILBE-NRFANRHFSA-N 483.568 5.203 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccnn45)CCC3)cc2)cc1C#N 1792168774 GSSIKFIWSCOSLD-UHFFFAOYSA-N 493.567 5.055 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)cc4C(F)(F)F)cc3)CCC2)c1 1792170949 AOQJGUHABGSGCL-UHFFFAOYSA-N 470.426 5.106 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)cc2)CCC1 1792390901 APDSJIRAGHLDPH-OYDLWJJNSA-N 495.664 5.534 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C2 1792575218 XZWJMENIGDUSBH-YHINDDMVSA-N 473.455 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)c(OCC)c(Cl)c1)C2 1798591755 GLPHNJWZBGJNGW-BCDXTJNWSA-N 450.982 5.122 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1802374355 XUVAEZSPZYKLFI-PXDATVDWSA-N 477.008 5.304 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1803091498 NQCCCJPMMAPSNN-GBXCKJPGSA-N 496.995 5.040 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1803416946 MIEJBBDBBRLRCO-KIFXHHALSA-N 465.663 5.261 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1804059371 MWHMCZAUEFSAFF-CYFREDJKSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cnc4cccc(Cl)c4c3)CC2)C1 1804866722 LPNONMCSWILVMW-UHFFFAOYSA-N 468.041 5.725 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(Br)cc3F)C2)CC1 1805126784 KNQGNESREZWDKE-UHFFFAOYSA-N 479.434 5.425 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c(C)noc3-c3ccccc3)CC2)C1 1805454819 AYAJMAJZBXZAST-UHFFFAOYSA-N 461.606 5.263 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808159402 KTABSYINSHHMGJ-CJFMBICVSA-N 493.051 5.837 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1)c1ccccc1 1809345944 JWSSGUQDOZDFPK-XQFUHLNNSA-N 491.591 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1810502400 ISMIBFVGFQWFPN-IGKIAQTJSA-N 488.676 5.384 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810604450 QNKCTIKRQAOJGQ-PMAPCBKXSA-N 473.951 5.101 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1811230852 WWOLNIOMLYBXHL-ILBGXUMGSA-N 477.649 5.571 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccc(F)cc4)cc3F)[C@@H]2c2cccnc2)C1 1812053559 KVEUBLLXDZRRCJ-AMGIVPHBSA-N 487.550 5.313 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1813050179 MVJHCTGKDALPSN-OUTSHDOLSA-N 497.664 5.497 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)[C@@H]1c1cccnc1 1813051122 WXJPPDSAZFJEHT-NBGIEHNGSA-N 496.449 5.091 30 20 JKED Cc1csc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1813864785 DFOHVLALMTUGSU-VLUSQRCCSA-N 486.641 5.031 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c(C)c1 1813869697 MVWFYOHUFUDZBG-QIDLSXJSSA-N 480.612 5.267 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)cc3C(F)(F)F)[C@@H]2c2cccnc2)C1 1813976059 NZLBPSFJROSOJQ-KKSFZXQISA-N 477.914 5.040 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1814257631 KPHQSDZQXPXUCN-JIOWCTGISA-N 482.628 5.359 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)[nH]n2)cc1 1814381935 YIIHRVWWNGOKBR-SANMLTNESA-N 497.599 5.009 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CCCC3)n[nH]2)cc1 1814684714 AAJJAEZDRUVVNR-RUZDIDTESA-N 481.600 5.294 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(C)cc23)n[nH]1 1815792683 CWGYIZSBIXAGFE-HSZRJFAPSA-N 461.610 5.427 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1 1818630654 UMRCFOFLVSUREK-OAQYLSRUSA-N 476.653 5.513 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1 1819386936 PRUBIEFKTYHOLA-JOCHJYFZSA-N 476.653 5.513 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2[nH]nc3c(Cl)cccc23)n[nH]1 1820692737 TZMCWLIXTJRLMZ-HXUWFJFHSA-N 483.016 5.167 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc3cccnc3cc2F)n[nH]1 1820839017 KAORMPCTJLOGSZ-YKSBVNFPSA-N 475.568 5.100 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821071387 BOIMNNWVCRCNDS-SJLPKXTDSA-N 499.862 5.086 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)CC1 1821180827 FCHZPVFHKMCJKF-SSPYTLHUSA-N 461.610 5.244 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1)C(F)(F)F 1821790612 XPYDOSDZNWMXPE-QGZVFWFLSA-N 489.325 5.460 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1)C(F)(F)F 1821861302 SIIZMJXNTXQIJY-KRWDZBQOSA-N 489.325 5.460 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1821924420 BTCPDMZQBIGRCV-HTAPYJJXSA-N 471.561 5.669 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)[nH]n1 1821986568 SIPAARQYEZMDJK-VUVZNRFTSA-N 460.550 5.228 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 1822346350 JOJHXVBRMXPTTO-GOSISDBHSA-N 496.480 5.364 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1)[C@H]1C[C@]1(F)Cl 1822507256 ZHIFGTZYJCIEEX-MRCUYLHHSA-N 490.966 5.040 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCc3ccnc(-c4cc(C)ccn4)c3)n[nH]2)C1 1822639881 UDTPEGWAQRXMQI-AREMUKBSSA-N 498.631 5.156 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)[nH]n2)c1 1823216073 OIXDKKJRSJTDDC-AFMDSPMNSA-N 497.599 5.445 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1823422816 PDYRIMQZAXTUFC-PGRDOPGGSA-N 477.996 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4F)CC3)n[nH]2)c1 1823448057 DABCLHYDYLCKLZ-KOSHJBKYSA-N 485.563 5.214 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)C1 1823704278 DCEPQMBEMPUQBI-OAQYLSRUSA-N 453.385 5.332 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(Cl)n2)CC1 1824143013 DYLDXDLKIHJEQA-OAQYLSRUSA-N 464.437 5.390 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824873693 HMSWGQHDNNXFJU-GOSISDBHSA-N 496.467 5.810 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828164169 QASNGWNYTHJONC-FPOVZHCZSA-N 473.013 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 1828827929 ZUXQAEDZWOETDO-IRLDBZIGSA-N 489.454 5.156 30 20 JKED Cc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828903798 GRMXTHBJGZMSBM-QFIPXVFZSA-N 458.744 5.341 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1)c1ccccc1 1828995446 DKFKPWQBWBXUMG-RQRLQFOHSA-N 477.649 5.148 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc3ccccn3c2C)CC1)c1ccccc1 1829031675 DFIKBPURQBQSDH-SVBPBHIXSA-N 496.655 5.073 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831239602 ILMDLKPEROIHND-XZOQPEGZSA-N 495.491 5.119 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C)c2)CC1 1831446354 GVKMLVKVDISZLP-HXUWFJFHSA-N 483.397 5.202 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832633668 MLROGAUSTAUZDL-SKCUWOTOSA-N 487.644 5.650 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)CC1 1836694988 LSTCDTWAEYTPQD-UHFFFAOYSA-N 491.632 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H]3CNc4ccccc4C3)CC2)CC1 1837887947 QSNDSWWYCZYTQR-HSZRJFAPSA-N 495.708 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C 1847508026 YRERQQWWDBDWAD-HJOGWXRNSA-N 489.701 5.212 30 20 JKED CCOc1cc(/C=C2\COc3ccccc3C2=O)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 9883000 COOMUVNUPLILFE-GIJQJNRQSA-N 489.480 5.098 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c1 10172585 CJIDUBRURWBQCG-UHFFFAOYSA-O 453.578 6.218 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2cccc(O)c2)cc1 10173426 BMQDWEVDGVFHHV-UHFFFAOYSA-O 456.385 5.056 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113197 WTYXHZIZADTJNR-UHFFFAOYSA-O 488.561 5.810 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158441 WDORWEYDJYVSDA-UHFFFAOYSA-O 475.377 5.802 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccc(Cl)c(Cl)c1 11159254 XPGZPCWOMKEWBA-UHFFFAOYSA-O 461.438 5.850 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c(C#N)c1C 11201406 FOWFAUYFPHWQQU-UHFFFAOYSA-N 479.587 5.411 30 20 JKED COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1ccccc1C#N 13160399 QHKAOQUWLDBELD-UHFFFAOYSA-N 456.571 5.334 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)COc3ccc(Cl)cc3Cl)s2)cc1 14621440 QZZJSDIRZPBDOO-UHFFFAOYSA-N 451.360 5.026 30 20 JKED C=CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18085170 CTVUYOFOVYWLSQ-UHFFFAOYSA-N 479.385 5.976 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NCCc2ccc(OC)cc2)cc1 22800615 GEHRXFQBMZDSKS-UHFFFAOYSA-O 488.460 5.623 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(Cl)c2C)cc1 23603499 RPZISWFTBNOSBD-UHFFFAOYSA-O 469.074 6.835 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccc(OC)cc1 23998260 VCUPKDYATNNIRI-DLBZAZTESA-N 462.575 5.244 30 20 JKED COC(=O)c1ccc(F)c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 25756095 VDRIXHBUUFVSRM-UHFFFAOYSA-N 475.320 5.088 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(OC)cc1 26038110 GQMIXXCSSBGECR-HXUWFJFHSA-N 487.610 5.232 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccc(Cl)cc1 59794997 KPPCPZVAIQTNFN-UHFFFAOYSA-N 484.050 5.717 30 20 JKED CCOc1cc(Br)c(CC(=O)Nc2cc(C#N)ccc2OC(C)C)cc1OCC 60017607 PMQVHJYOGRFUKH-UHFFFAOYSA-N 461.356 5.087 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sc(NC(=O)c2ccco2)cc1C 72025323 KFOLYIYXIRDRLV-UHFFFAOYSA-N 457.511 6.127 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3nc(C)c(SCC#N)s3)[C@@H]2c2cccs2)cc1 107899215 HPNAZUHMWFNGEB-QFBILLFUSA-N 468.629 5.170 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2cccc(C#N)c2)cc1Cl 213944805 NJWYWXFJKPJJLI-NDENLUEZSA-N 465.987 5.959 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccccc1F 215716339 OZBMWGZZSPWCHW-QHCPKHFHSA-N 478.618 5.638 30 20 JKED Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481595153 JPXPJFCWOXIVTF-UHFFFAOYSA-N 473.483 5.231 30 20 JKED N#Cc1cccc(COc2cccc(NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)c2)c1 485047717 GMUWRLIMWBZEBN-UHFFFAOYSA-N 450.413 5.096 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491056288 BLNPBZUSRURVCK-UHFFFAOYSA-N 499.013 5.960 30 20 JKED O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 498275425 LXNNONFIWISVEL-UHFFFAOYSA-N 497.168 5.459 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1Cl 499214001 VXQAAZSDSYLBJR-CYBMUJFWSA-N 454.868 5.279 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCNC(=O)c1ccc(Cl)cc1 501155011 XPIYTJOCOVGBQH-UHFFFAOYSA-N 463.940 5.403 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501419579 JMOMYCZKBKCIKT-UHFFFAOYSA-N 484.581 5.876 30 20 JKED C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)nnc1-c1ccc(Cl)cc1Cl 502580416 HMKPRMCWLQVTCP-UHFFFAOYSA-N 492.388 5.694 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 504712675 RNQDZFOCDSIXRK-KRWDZBQOSA-N 464.591 5.401 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)cc1 505620250 GQTNLCPPHVGKHW-INIZCTEOSA-N 479.533 5.197 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1 515540148 GFHGAGNADDBLLH-HXUWFJFHSA-N 494.523 5.055 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1nc2ccccc2n1C(F)F 515540170 IDMNYKVTZDCUAJ-HNNXBMFYSA-N 460.419 5.037 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCCCc3nc4ccccc4s3)c2)c1 515676742 YFBHXXLPSAIIIC-UHFFFAOYSA-N 454.555 5.772 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)nnc1-c1ccc(Cl)cc1 515680050 AELLTXHWXRDVKL-AOMKIAJQSA-N 495.052 5.657 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCC(=O)N(C)c2cccc(C#N)c2)n1-c1ccccc1 516369302 MYHMRWGWPISHIF-UHFFFAOYSA-N 483.597 5.090 30 20 JKED Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1I 517461787 OWKYJHTUOBLYOQ-UHFFFAOYSA-N 490.288 5.877 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)c3oc4ccccc4c3CSc3ccc(F)cc3)CC2)c1 520019152 RUYCTVVOKRAOFB-UHFFFAOYSA-N 472.545 5.093 30 20 JKED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520130721 DOSCWRFAAFWICC-UHFFFAOYSA-N 478.543 5.206 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(O)c2c(-c3ccco3)csc2n1 520833796 KSVYYFTXDNFKRR-AWEZNQCLSA-N 496.639 5.923 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 520856574 KAJMPITVJCDGQR-KXBFYZLASA-N 460.397 5.306 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 521733319 DXYWQBONNFXKDC-CYBMUJFWSA-N 464.900 6.049 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 553282224 VEINSWICBNYMLF-JPYJTQIMSA-N 474.586 5.611 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 588089815 FHGHCIABVNOPIZ-ZIAGYGMSSA-N 492.391 5.290 30 20 JKED O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F 590792066 CLJUKTSOKPKLIL-IUCAKERBSA-N 461.321 5.032 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)[C@H](C)c1cccc(-n2cnnn2)c1 596362333 MUOLPFGALNIPIG-QGZVFWFLSA-N 475.940 5.284 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1cc(Br)ccc1Br 603654783 IZRHEAFRKGIRHO-UHFFFAOYSA-N 469.202 5.138 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2C1=O 603673351 ICQOBPHCVNJJFJ-QFIPXVFZSA-N 455.901 5.030 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1ccccc1Sc1ccccc1 604007690 RISWGNJUEOVCKV-UHFFFAOYSA-N 452.539 5.947 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC2 604082078 OOODRWUXTPWFNB-SANMLTNESA-N 496.032 5.313 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604287373 JJGXWVNTTRYCHB-IAGOWNOFSA-N 472.454 6.053 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCCN(CC3CCCCC3)CC2)c1 604440476 BRPCAVUEIBIEHB-UHFFFAOYSA-N 490.673 5.017 30 20 JKED C=CCN(C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1nc(C(=O)OCC)cs1 604533789 AWLRQGSWSJMNSU-UHFFFAOYSA-N 476.533 5.144 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 608851040 QMYVTQCPGWOLLN-QGZVFWFLSA-N 473.916 5.852 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ncccc1OCCCC#N 608868982 YPUPCRFXFLZCBR-UHFFFAOYSA-N 458.349 5.055 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)s2)c(C(F)(F)F)c1 608889773 BGZMLSBDLQBYTI-UHFFFAOYSA-N 488.466 5.121 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)cn2)c1 608995087 ZOXUYQBSSOAUPI-NRFANRHFSA-N 452.873 5.143 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)cc2Cl)c1 609062441 PWIOTJYBIUGRNV-UHFFFAOYSA-N 480.008 5.594 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc(-c4ccc(F)cc4)no3)cc2Cl)c1 609062613 WFIOAAVVQQEERR-UHFFFAOYSA-N 490.922 5.941 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CCC#N)CC(C)(C)C)c1 609191449 YWSRCUHDBFTEFU-UHFFFAOYSA-N 474.026 5.123 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 609398308 UBUCQRKYTYJENF-QGZVFWFLSA-N 451.571 5.564 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609439160 FDKADGNQXVWYQP-UHFFFAOYSA-N 498.514 5.174 30 20 JKED Cc1noc(CSc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)n1 613319552 GSRFPFQAHTXLQV-GOSISDBHSA-N 466.975 5.937 30 20 JKED O=C(CCc1ccc(F)cc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517476 JSOPCQFAVOBATB-SFHVURJKSA-N 467.356 5.535 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 624599704 QOGIIPDZNFCYTJ-UHFFFAOYSA-N 471.513 5.192 30 20 JKED C=CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 649700674 JUERGYSJGRAZIO-UHFFFAOYSA-N 458.292 6.364 30 20 JKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1-c1ccccc1Br 726321090 DMCRAMRVOGLCNX-INIZCTEOSA-N 491.172 5.723 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCC4)CC3)n2)cc1 726324829 HKJJJXXJEDABNW-HRTMPFAESA-N 460.603 5.113 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1ccc(S(=O)(=O)C(F)F)cc1 726426695 YRTMNNQTNPKWBR-UHFFFAOYSA-N 492.857 5.295 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1Cl 726572163 VLFOWGPIOYIRMM-UHFFFAOYSA-O 477.780 5.835 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CC[C@H](C)OC)cc1Cl 726889783 HDRSWSNAVVAIFW-KKSFZXQISA-N 490.025 5.042 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cnn(C(C)C)c2)ccc1Cl 727317299 DOQJKVGDZRATQR-UHFFFAOYSA-N 493.416 5.404 30 20 JKED COCCCn1c(NN=C(C)c2sc(-c3ccc(C)cc3)nc2C)nc2ccccc2c1=O 727648606 MXQJFGYGRLKULE-UHFFFAOYSA-N 461.591 5.009 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727895618 IESIBYMDDSAEFG-UHFFFAOYSA-N 490.878 5.227 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1 728780561 UHEYVQXYAVTBIN-HXUWFJFHSA-N 474.508 5.067 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 729552190 AZJZJAQYDSGYDE-RUZDIDTESA-N 463.541 5.804 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3)cs1)O[C@@H](C)C2 730685643 AZCZKXAHRUEJGS-VUBIOCNBSA-N 479.001 6.166 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1F 730687928 QQGXNMFKVHXCAT-INIZCTEOSA-N 471.941 6.440 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1 730745862 VGNVJPGNAZPYTM-SFHVURJKSA-N 463.875 5.766 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730943994 PMXZRTCGNUQAHM-CYFREDJKSA-N 488.613 5.429 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(CCOC(C)(C)C)C1=O 746696610 RDYWSOUHBPPJSD-JOCHJYFZSA-N 483.634 5.087 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3F)cc2)ccc1S(=O)(=O)C(F)F 747067403 WYLPAYKCIJYXRF-XYOKQWHBSA-N 476.472 5.306 30 20 JKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc(-c2ccc(Cl)cc2)cs1 747111856 UCZXOVRWOLYFIZ-INIZCTEOSA-N 472.016 6.290 30 20 JKED CC(=O)Nc1ccc(/C=C2\CN(c3ccccc3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 747316797 CQYYOYFQUARCSM-MUPYBJATSA-N 465.553 5.160 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cscn2)C1=O)Nc1ccccc1 747603337 SZEXJFWEJGHBID-SFHVURJKSA-N 490.532 5.322 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1cccc(C)c1 799012532 GWWYPFJJGFSUIE-FQEVSTJZSA-N 461.635 5.549 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(OC)c2)N(CC(F)(F)F)C1=O 799215342 MHNAOXSWVRTMKA-LJQANCHMSA-N 495.523 5.007 30 20 JKED CC(C)(C)OC(=O)N[C@@H](C=Nn1cnnc1SCc1ccc(Cl)cc1)CC1CCC1 814769476 QLNDJWAVWQFVTM-GOSISDBHSA-N 450.008 5.141 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)c([N+](=O)[O-])c1 837539487 ZFUPZSYWWARULX-VGSWGCGISA-N 489.557 5.020 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@H](C)c3cccnc3)C2=O)c1 837906796 JHEUGJZTLQUMEG-JPYJTQIMSA-N 493.032 6.073 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 838190635 OIROGKHFPMSYHM-MBSDFSHPSA-N 458.587 5.366 30 20 JKED COc1ccc(NC(=O)C2=C(C)N(c3cccc(C)c3)C(=S)N[C@H]2c2cccc(C#N)c2)c(OC)c1 839842588 PDDIPHAVXRZZEL-SANMLTNESA-N 498.608 5.232 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 915104869 VRVARXPBJPFVSR-WMLDXEAASA-N 491.922 5.697 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@H](C#N)c4nc5ccccc5n4C(F)F)cc3)ccc12 915107392 SKINTWQTFATXJE-NRFANRHFSA-N 499.473 5.915 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc1OC 915356636 QJIQVSLQFFPDEE-NTCAYCPXSA-N 457.530 5.864 30 20 JKED Cc1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN(CCC#N)Cc2cccnc2)c1=S 915794831 KQZAECCWJNTKEP-UHFFFAOYSA-N 475.021 5.800 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccccc2)cc1 916213415 CMYXFGXBRSBXDB-DEOSSOPVSA-N 487.581 5.058 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1ccc2ccccc2n1 916849273 OAEJDFCGFLJUKA-BWKNWUBXSA-N 457.327 5.994 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)c1ccc2ccccc2n1 916849406 QGXXIYSQQZUMDB-OFVILXPXSA-N 457.327 5.994 30 20 JKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 916877116 YEEBCIYTHHRAOV-SANMLTNESA-N 467.521 5.352 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc(N)nc(Nc2ccccc2)n1 916881769 ZAIXQRRPGDSSDO-KSEUIEODSA-N 472.961 5.469 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)c1 916893048 QQACMBUXKRRGPO-QGZVFWFLSA-N 455.333 5.147 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1cccc2ccccc12 916915249 AXIOWVBNKKKXRP-NRFANRHFSA-N 462.596 5.435 30 20 JKED COc1cc(/C=C\C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCc1c(C)noc1C 917040539 LLSWVXGRDCWSMT-IZTUGPKFSA-N 492.482 5.514 30 20 JKED N#C[C@@H](C(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1nc2cc(Cl)ccc2s1 917046882 NDCFLAXYDAUAHD-LSPINASFSA-N 472.917 5.071 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 917506937 KRJRNLFNUFWFSO-HXUWFJFHSA-N 482.458 5.699 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2ccccc2)C=C1 917611943 QNVGEQKXCHQJJV-UHFFFAOYSA-O 474.650 6.315 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3SC[C@@H]3CC3(Cl)Cl)cc2C1=O 917749855 NUUWJRCVRMSIMT-AWEZNQCLSA-N 461.370 5.007 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2ccccc2-c2ccccc2C#N)cs1 918902504 UTVNGXXIYRXTOJ-UHFFFAOYSA-N 467.550 6.032 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)nc1C 920031709 JHFQJPQRZMTWPF-UHFFFAOYSA-N 495.080 5.204 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cc(C)on3)C2=O)c1 920359428 MKPGYBHXBVTIET-VWLOTQADSA-N 498.608 5.914 30 20 JKED N#Cc1cccc(COC(=O)CC23C[C@@H]4C[C@H](C2)CC(C(=O)OCc2cccc(C#N)c2)(C4)C3)c1 920654722 KOIUDOUSYRAFIN-UXRGOTNFSA-N 468.553 5.193 30 20 JKED C=CCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1 920745306 LOBWDXNCZPEYFI-UHFFFAOYSA-N 451.320 5.519 30 20 JKED N#C[C@@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)c1nc(-c2c(F)cccc2F)cs1 920804561 VNHHDVXSKYBEIX-NSHDSACASA-N 476.480 5.629 30 20 JKED COc1cccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)c1 1785934669 ROTYGQVDBQPJKS-UHFFFAOYSA-N 468.557 5.055 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(Cl)cc3)cc2)CCC1 1786018495 FSZNHWGVOSJWOH-QHCPKHFHSA-N 498.023 5.616 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc5sc(N)nc5c4)CCC3)cc2)c1 1786041377 PHPBHNOWZFVQBW-UHFFFAOYSA-N 495.608 5.131 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)cc2)CCC1 1786559457 LVZIOFAMTKPLNX-NRFANRHFSA-N 469.626 5.122 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c(C(F)(F)F)o1 1788615791 ZOTIDCPGLKGPJV-UHFFFAOYSA-N 486.425 5.074 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)CCC1 1789108569 GDZLJYYLVUVNSY-IBGZPJMESA-N 453.608 5.022 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)CCC1 1789875881 TXNZFPXJGXZINX-CMDGGOBGSA-N 499.514 5.349 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789957886 UDZSXBITYXODNX-FQEVSTJZSA-N 470.573 5.297 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)c1 1790072625 FGUQUSQSRWWKJP-UHFFFAOYSA-N 495.366 5.330 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)cc1 1790288562 NOFNAWTYGGOFHR-UHFFFAOYSA-N 464.447 5.034 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ncccc45)CCC3)cc2)c(Cl)c1 1790767630 DNBAATFZWYBMFM-UHFFFAOYSA-N 497.986 5.468 30 20 JKED O=C(/C=C/c1cccc(O)c1)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1791334258 SNXMLWCYDHOJRO-FELDBCONSA-N 472.566 5.040 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1791454229 OWUUPMWSJOBKDQ-XZOQPEGZSA-N 481.637 5.288 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)CCC2)cc1 1791588596 NQUGUFMEZDDNFT-XMMPIXPASA-N 477.605 5.271 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1791726224 IPFIHMYPAWIQMI-QHCPKHFHSA-N 481.637 5.008 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3F)CCC2)cc1 1792239863 ATHRDVUJKFHSPB-UHFFFAOYSA-N 482.515 5.005 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)[C@@H](S)C(C)C)ccc21 1793612453 AMKULLRHZGKKPK-ZDQHKECQSA-N 463.647 5.021 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@@H]2CCC[C@H]1c1ccccc1N2)c1ccccc1 1795943697 TUOBPLKAZOFHMM-SPQIMKEMSA-N 495.667 5.200 30 20 JKED C[C@@H](c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1)C(F)(F)F 1801459328 KYVBZDIQANZFOR-WEOMCHKNSA-N 497.561 5.474 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cncc2Cl)[C@H]1c1cccnc1 1802362062 RMSNPMMSZJQEJU-DYESRHJHSA-N 475.420 5.095 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1Cl 1802729749 JOKUXMLSZJXMCM-ZEQKJWHPSA-N 496.127 5.414 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1803091681 QARIQSKMKXIRKC-KCWPFWIISA-N 491.607 5.098 30 20 JKED C[C@H](Sc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1803424633 XCRRXWYHPMLKNR-FNXRTMJISA-N 498.652 5.209 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(F)cc2F)[C@@H]1c1cccnc1 1803980865 YLBVWFOOONBFAQ-WYTIYTFZSA-N 467.560 5.071 30 20 JKED C[C@@H](C(=O)N1CCCC2(CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)C1)c1ccc(Cl)cc1 1805193301 WNDNOFWWKJKBBA-JBVUFVISSA-N 485.049 5.175 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)C2)CC1 1805607046 UBNKXBZSHXPZTJ-RTWAWAEBSA-N 458.593 5.292 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)C2)CC1 1805937808 HGBGTYDJZJTRAH-BJKOFHAPSA-N 452.639 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3ccc(Cl)cc3)C2)CC1 1806719371 MBCLNEVLHGPVDZ-XMMPIXPASA-N 473.057 5.499 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@H]1c1cccnc1 1808834854 XRTIKAIUHUYMSZ-WWUPIGTESA-N 498.627 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1808889611 PECHZVNZSPIMKG-ILBGXUMGSA-N 453.671 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1810183260 UKTKJKYXDPFXOQ-RQTOMXEWSA-N 480.678 5.359 30 20 JKED CC(C)(C#N)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810400194 GAMFXOXMCOUFPB-UHFFFAOYSA-N 480.612 5.296 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2ccc(C)cc2)[C@@H]1c1cccnc1 1810500558 SSSQLIACOBVYBG-WIOPSUGQSA-N 465.663 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810503570 QOCNCGQUCXQLRI-DHLKQENFSA-N 498.067 5.834 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1811287301 UEMGXSHPJGLNRD-AVRDEDQJSA-N 494.567 5.080 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1812668048 PKFGBQPAUWIQMV-VGSWGCGISA-N 486.950 5.056 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1812809065 LJSXPUQNBJPPSK-GJZUVCINSA-N 495.067 5.923 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813868058 KAUIAIQAYKVPPA-TXQOIQMMSA-N 480.612 5.465 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)[nH]n1 1814829208 BAXMEPZAAVAOSG-XMMPIXPASA-N 479.600 5.223 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)[nH]n1 1815657038 VEBZHCPNHFUPCW-YIXXDRMTSA-N 492.645 5.036 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1 1816462714 DEDANHJSAOQPED-OAQYLSRUSA-N 459.550 5.100 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)c3ccccc3c2)n[nH]1 1817964185 TZCWVIDNEQEMGF-JOCHJYFZSA-N 493.405 5.435 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4ncccc4c3)n[nH]2)c1Cl 1818478309 HWVPLXAFNWWZJG-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1819304720 HMDWVTMKZZOBCE-HNAYVOBHSA-N 484.025 5.747 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1820207439 LTPHNWFXSHVJBS-HBRDYDSTSA-N 495.539 5.055 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c(F)c1 1820220942 JOMRXRLPYQHTHY-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2occc2NC(=O)OC(C)(C)C)n[nH]1 1820368031 OIUFFULDWBYMGS-LJQANCHMSA-N 499.612 5.648 30 20 JKED CCCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1 1821179686 IWXSVWBEAYJPIR-XMMPIXPASA-N 455.562 5.048 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)[nH]n2)cc1 1821182598 DDJZTVVXDZDBDO-NRFANRHFSA-N 499.468 5.253 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821213137 RRVDIGADQFBAFO-UWJYYQICSA-N 488.991 5.675 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1 1821274364 FIKUIMSEFKZEJD-QHCPKHFHSA-N 491.979 5.018 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1 1821988102 KYBHFKWMUBQCID-HXUWFJFHSA-N 476.593 5.245 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1822581922 URFCLJOYJOFRIC-SANMLTNESA-N 493.611 5.829 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@H](S)C(C)C)CC3)c[nH]2)cc1 1824536137 ZJHAZJAJPLSVEQ-JWQCQUIFSA-N 467.679 5.178 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 1824761907 GNVJRZYTITWYPB-RPBOFIJWSA-N 497.680 5.006 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1825434940 MRCGNYCQIBTBHI-VWLOTQADSA-N 472.633 5.106 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1827334384 LVCJIQANUGLRRH-LVXARBLLSA-N 475.633 5.203 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(cnn3C)c2)CC1)c1ccccc1 1828308248 YIUDTBZHWXODKD-LMSSTIIKSA-N 496.655 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccccc3F)CC2)CC1 1828829974 OOYNUIVYQWQGOJ-DHLKQENFSA-N 452.614 5.245 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)c1 1829677085 IXFSVUNLYTVTMS-MUUNZHRXSA-N 487.644 5.166 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1829936852 QXSPGDDMYUICAN-XMMPIXPASA-N 483.534 5.053 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829937908 UDFCJQMJSSWSOM-NFBKMPQASA-N 462.556 5.707 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830109203 GUOHMBYQRIXIFE-KDYSTLNUSA-N 473.617 5.259 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830361269 LRMNNNYUUQAFTE-XMMPIXPASA-N 481.999 5.135 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830417386 XCSQGUAQJKBXIR-AUSIDOKSSA-N 492.060 5.161 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1830447102 CXIDUAZGFMXSKN-GDLZYMKVSA-N 492.623 5.362 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(O)c2)CC1 1830580483 DBMJVBSSIMQJDF-NRFANRHFSA-N 491.470 5.380 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1830767022 ZXXYHCQKOGGFKW-KWXIBIRDSA-N 473.592 5.043 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Cc2ccncc2)CC1)c1ccccc1 1831102322 VKSXPAFZMQGMDB-MHZHKKNFSA-N 485.672 5.077 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1C#N 1831481698 FUIRUNMYSJWQJN-WWUYVNTOSA-N 491.676 5.405 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831716886 KELDEPWTGSWCBP-ABQRKTDGSA-N 487.482 5.385 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1)c1ccc(O)cc1 1831925572 AYEBMNZCTQVKDH-UFHPHHKVSA-N 498.623 5.569 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c(C)n1 1832091163 KLTXDFPRBHEPPI-VWLOTQADSA-N 493.051 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)CC1 1835820043 NDPYVAGFUPEOSU-UHFFFAOYSA-N 497.577 5.022 30 20 JKED CC[C@H](C)CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1836794042 TUUAMRBIELGXMR-DEOSSOPVSA-N 486.656 5.135 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)/C=C/C4CCCCC4)CC3)CC2)c1 1838644804 FVUCJEHDOOTJAE-NEQMZLFVSA-N 477.649 5.062 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(F)c4Cl)CC3)CC2)c1 1838670906 NWOPMUOFADSUTM-SFHVURJKSA-N 497.998 5.032 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 1838676677 ZRNJBOFOOZVDBS-UHFFFAOYSA-N 481.681 5.361 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CCCC34CN(C(=O)c3cc(C#N)c[nH]3)C4)cc2)cc1 1845298524 NMUSROWJSWODJA-UHFFFAOYSA-N 466.585 5.027 30 20 JKED C=CCC(=O)N1CCCC12CN(C(=O)c1sc(-c3cccc(C)c3)cc1NC(=O)OC(C)(C)C)C2 1846375930 NFMHBHHZZAEYAI-UHFFFAOYSA-N 495.645 5.464 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C(C)(C)C)cc1 10118316 ZKAXIZWYZNFBAL-UHFFFAOYSA-O 459.635 5.820 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)c1C#N 10711903 RMIHIHKRYKESDP-UHFFFAOYSA-N 492.626 5.668 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 10836192 CVYRWPYTNXMMIK-UHFFFAOYSA-O 487.215 6.344 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc3ccccc23)cc1 11126919 MHEGHEUKPPDMKW-UHFFFAOYSA-O 453.631 6.748 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 11128509 MHSMTQBXSGFKBJ-UHFFFAOYSA-O 487.523 5.377 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2scc(-c3ccccc3)c2c1=O 11297935 VGZPGAWSWRNGPO-INIZCTEOSA-N 472.595 5.302 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc(Cl)c1)[n+]1ccc(C(C)(C)C)cc1 14871851 SSVXGRLXZLHVGX-UHFFFAOYSA-O 452.043 6.538 30 20 JKED C[C@@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nc1sc2c(c1C#N)CCCCC2 16074043 VOSRBXFXYKTNQY-GFCCVEGCSA-N 484.672 5.185 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)nnc1-c1ccccc1OC 21135839 ZDQOVJQMMYKVNS-UHFFFAOYSA-N 472.614 5.581 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 22142266 BWZXANQMLWGKRA-UHFFFAOYSA-N 493.564 5.559 30 20 JKED COCCCn1cc(C(=O)c2cc(F)ccc2OCc2c(Cl)cccc2Cl)cc(C#N)c1=O 22359653 YJGGDCYGFSAROW-UHFFFAOYSA-N 489.330 5.012 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 24649232 PQPMUILQOVCACB-UHFFFAOYSA-N 494.599 5.339 30 20 JKED C=CCn1c(-c2sc(NC(=O)CCCc3ccc(Br)s3)nc2C)n[nH]c1=S 25515450 VPKRLHJHBZTCRS-UHFFFAOYSA-N 484.470 5.344 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)sc2Cl)n(Cc2ccccc2)c1C 27429714 CEEPRTVKCBLTCO-UHFFFAOYSA-N 462.358 5.189 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)nnc1-c1ccccc1 29809016 YLCNJVXBFUHSDD-LJQANCHMSA-N 475.599 5.256 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1 29985718 JGSHUFFRUMJLCX-UHFFFAOYSA-N 483.399 5.187 30 20 JKED Cc1cccc(C2(CNC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)CCCCC2)c1 71932218 PDRAAKYBDZYHJG-UHFFFAOYSA-N 472.589 5.349 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccc(Br)cc1 195553186 KMKRISXTULHSFN-QFIPXVFZSA-N 493.361 5.023 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)cc1OC 206404935 IRBNFOIUDIXDNY-HSMAQGNYSA-N 465.575 5.115 30 20 JKED N#Cc1c(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc2c1CCCC2 247709614 IEUGVXARTJKHKP-UHFFFAOYSA-N 468.932 5.421 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 409524954 DWPQHWOIHROCRT-GOSISDBHSA-N 498.396 6.021 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H]1CCc2ccccc21 484878315 HQLGTDBTJWMLFU-MHZLTWQESA-N 467.569 5.196 30 20 JKED Cc1cnc(O)n1-c1ccc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 501817185 AQOAYGJPUJHHQX-GOSISDBHSA-N 454.555 5.400 30 20 JKED Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 502487359 OPDLGWVINPYMIV-UHFFFAOYSA-N 469.520 5.287 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C(=O)N2CCCC2)c1C 502654851 OZPZVCCRZMZMJR-UHFFFAOYSA-N 474.374 5.353 30 20 JKED N#Cc1cn(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c2ccc(Cl)cc2c1=O 502819113 ZWYYMQXCFSKYQM-DEOSSOPVSA-N 462.336 5.086 30 20 JKED O=C(Nc1ccc(Cl)cc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503132892 QSENZQKXEAXYBA-UHFFFAOYSA-N 487.162 6.003 30 20 JKED CC[C@H](C)n1c(SCC(=O)N(Cc2ccco2)c2ccccc2C#N)nnc1-c1ccccc1 505025157 QRPOULPVMKAEEH-IBGZPJMESA-N 471.586 5.706 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nc(O)c3c(-c4ccco4)csc3n2)cc1 505800837 FAQRUQQHFKZOLD-UHFFFAOYSA-N 470.529 5.870 30 20 JKED CN(Cc1ccc(Br)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510234395 AYMSEUBJZIWLOU-UHFFFAOYSA-N 474.409 5.128 30 20 JKED COc1cc2c(cc1OC)CCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)CC2 510649285 XSAZSQZGRQVTPA-QHCPKHFHSA-N 475.976 5.645 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)nc(O)c2c1C 510996031 SOKRVRIQKGUCQG-CQSZACIVSA-N 494.564 5.098 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 515149290 ZZQPVMIITVHSJI-JOCHJYFZSA-N 484.987 5.509 30 20 JKED N#Cc1c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)sc2c1CCCCCC2 515676438 FWGAJFVZANZMJV-UHFFFAOYSA-N 455.539 5.332 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccccc2OCc2ccccc2)cc1 516292653 WBIVGDKHMASYML-UHFFFAOYSA-N 477.520 5.184 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1OC 516713792 JQNBTQKSEKUXQH-IBGZPJMESA-N 464.481 5.188 30 20 JKED N#C[C@@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccc(OCc2ccccc2)cc1 517849369 WHUVFGHXPIKURZ-AREMUKBSSA-N 465.509 5.213 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 518683509 WRPOBXGEJQYTJW-AEFFLSMTSA-N 482.009 6.053 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 519879386 OTHMHXISVAZOTC-AREMUKBSSA-N 464.569 5.578 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 519896163 BADGFNDQQNOWSN-UHFFFAOYSA-N 472.555 5.409 30 20 JKED CC[C@@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)Cn3nc(C)c(C)c(C#N)c3=O)sc2c1 520165496 FKZQWRRCYDFVFU-QGZVFWFLSA-N 485.613 5.088 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 524440326 HPKFZIUSCWQVBT-QFIPXVFZSA-N 482.609 6.467 30 20 JKED COCCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)[C@H](C)c1cccc(C(F)(F)F)c1 590376221 FCMCFDXHWFXAFC-GFCCVEGCSA-N 480.380 5.038 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(OCC(F)(F)C(F)F)nc3)c2C(F)(F)F)cc1 591223003 SXZAWLDKTBJHNX-UHFFFAOYSA-N 476.352 5.126 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)cc1 602738323 HQBHRNGPZDDXOT-UHFFFAOYSA-N 484.924 5.388 30 20 JKED CC(C)C(=O)Nc1nc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1 603766316 RGQXCDWQKULDRH-LJQANCHMSA-N 452.967 5.228 30 20 JKED N#C[C@@H](C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838322 FNKUULMJEBHKFT-AWEZNQCLSA-N 485.312 5.096 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCCN(c2ccccc2C#N)CC1 603896350 ORJWREVIZVVOPK-UHFFFAOYSA-N 479.005 5.186 30 20 JKED CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1CC 603900744 VNCBQLSOSVMNMI-LJQANCHMSA-N 484.629 5.280 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3c4c(nc5ccccc35)/C(=C\c3ccco3)CCC4)CC2)nc1 608951177 WHULZAFUXUROJM-FXBPSFAMSA-N 489.579 5.370 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)ccc3I)cc2)c1 609064538 CQSNHEQVBOOITM-UHFFFAOYSA-N 472.257 5.133 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cc2Cl)c1 609073002 QQSGGNBFOVVQPH-UHFFFAOYSA-N 487.821 5.909 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)N2CCCC2)c1 609078661 GIYUUUMFAFCXGX-MUUNZHRXSA-N 484.600 5.413 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(N4CCCC4=O)c3)cc2Cl)c1 609079824 LNHGHSPQUIUOJU-UHFFFAOYSA-N 474.948 5.239 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609081032 YUWGWVATEQIBAX-INIZCTEOSA-N 476.989 6.625 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 609153412 FTTTWVDCGJGCLX-UHFFFAOYSA-N 458.543 5.474 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)cc1Cl 609206269 HCMLOVWRGOKJCB-XMMPIXPASA-N 494.039 5.624 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2cccc(Sc3ccccc3)c2)CC1 609398060 AQTYWHAHIGFKDH-UHFFFAOYSA-N 471.542 5.312 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 609401927 KHIVYCJVGZUHDO-RBUKOAKNSA-N 465.623 5.077 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2nc(O)c3c(-c4ccccc4Cl)csc3n2)CC1 610566196 LGAVRGNQVQVHEL-NRFANRHFSA-N 493.995 5.239 30 20 JKED CC(C)Cn1c(=O)nc(O)c2c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc(C(C)C)nc21 613407059 GMIWLZRMEXAVLR-OAHLLOKOSA-N 495.992 5.030 30 20 JKED O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301118 KBJHCWAPRKTWIV-ZIAGYGMSSA-N 474.380 5.005 30 20 JKED COc1cc(CCC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 624083159 WARKWZCYRMBJAE-BETUJISGSA-N 481.355 5.158 30 20 JKED COC[C@H](C)n1c(SCC(=O)Nc2cccc(C#Cc3cccs3)c2)nnc1-c1ccccc1 624832121 BYHSCSMDTNSOCE-IBGZPJMESA-N 488.638 5.345 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 642281637 NQCGICCIDKKIIR-QFIPXVFZSA-N 473.579 5.125 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc3ccccc23)N(CC[C@@H](C)OC)C1=O 726394707 YKUIHANCBGZZOS-HOYKHHGWSA-N 491.613 5.234 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(C)C)C2=O)c([N+](=O)[O-])c1 726405647 FXUHRQVFSDLHGH-FQEVSTJZSA-N 499.980 5.045 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N/[C@H](C)c2cccs2)o1 726421931 SZZPPBHJMHXMJY-GHZZFFRASA-N 485.606 5.421 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N/[C@H](C)c1cccs1 726422200 VQAOQFKGXQEQIQ-PRLFLVJASA-N 457.621 5.141 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 726436409 QZCAMFJKJWTUCX-UHFFFAOYSA-N 455.992 5.239 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Cl)s2)cc1 726572207 RTGZBTRPGPXXKD-UHFFFAOYSA-O 487.070 6.099 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(C)cc2)cc1 726572219 SAYBAEQMAWJXRS-UHFFFAOYSA-O 460.623 5.693 30 20 JKED COc1ccc(/C=C2/N=C(SC[C@@H](C#N)CCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 726798374 SCKDUDUFLSDGAH-VYVDHXHBSA-N 482.512 5.217 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C#N 728425445 NFBXPHHJRQLTGH-HXOBKFHXSA-N 499.621 5.083 30 20 JKED O=C1/C(=C/c2cccnc2Cl)CN(CCc2ccccc2)C/C1=C\c1cccnc1Cl 728698847 PNYVHKMCUARVBY-NNFYUIBOSA-N 450.369 5.378 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)c1 728776437 BQIPBVNOBDBDBN-HSZRJFAPSA-N 477.634 5.024 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(OC(F)F)cc1 728777340 KHTDOCDWSFKLSS-IBGZPJMESA-N 490.507 5.081 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728779738 KJEKGLCWVACHNB-JOCHJYFZSA-N 483.037 5.865 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2ccccc2)c1 729670367 PWXPHNQUELAJDQ-UHFFFAOYSA-O 465.595 5.651 30 20 JKED N#CCn1c(C(=O)OCc2csc(-c3ccc(Br)cc3)n2)cc2ccccc21 729768983 QZTKKSJQSQKHHR-UHFFFAOYSA-N 452.333 5.408 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C#N)cc3F)C2=O)cc1 729818513 WGNPBSUIXBSEGR-XMMPIXPASA-N 497.555 5.038 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cocn1 730711036 XJRKKHLPCPFUJG-FQEVSTJZSA-N 482.993 5.414 30 20 JKED N#Cc1ccc(NC(=S)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cc1Cl 730736124 BADNPQWYAYVVMF-UHFFFAOYSA-N 499.821 5.713 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1Cc1ccc(Br)cc1 731031574 YDDHMUOPTREJEP-FXAWDEMLSA-N 472.452 5.489 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2)c(N)c1 731080146 IUMXBXZYYSZGQG-INIZCTEOSA-N 495.988 5.904 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 731378118 KBJSMHMTMUNDAF-IBGZPJMESA-N 497.576 6.056 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4ccccc4cc3NC(=O)C3CC3)s2)cc1 733026671 RRXHLEGBTBZPST-UHFFFAOYSA-N 485.594 5.456 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)Cc1nnc(O)c2ccccc12 745867740 KJWGKXOIELQWLS-QHCPKHFHSA-N 499.552 5.099 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2cc3ccccc3[nH]2)C1=O 746696277 LRUKKDCMBHRAHI-VWLOTQADSA-N 498.608 5.645 30 20 JKED Cc1oc(-c2ccco2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 750398463 VSMJBOUDCZAYLA-AWEZNQCLSA-N 458.326 6.092 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 750689450 HUAYTXWKQVAYOA-AREMUKBSSA-N 450.542 6.094 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CC(F)(F)F 799211516 BGJUADJXHAVGAJ-MRXNPFEDSA-N 455.889 5.171 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H](C)c3cccnc3)C2=O)c1 837301042 DXCOSICVVQEBQG-YKSBVNFPSA-N 472.614 5.728 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 837784795 VPHVDQFYNHTFHK-IIBYNOLFSA-N 464.978 5.457 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1C1CCCC1 838532320 BDUGDXMCXQTEIU-OAQYLSRUSA-N 488.009 5.260 30 20 JKED CC(C)N(C)Cc1cc(O[C@H]2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)C2)ccn1 856605555 XSJZBGGNTMHTIH-LJAQVGFWSA-N 468.645 5.275 30 20 JKED N#CCN(C(=O)COC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)c1ccccc1 899917927 GDXHOOPJGCGYQQ-UHFFFAOYSA-N 478.533 5.225 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1sc(Nc2ccccc2Cl)nc1Cl 912832161 UAFATFCKSOEWKZ-UHFFFAOYSA-N 469.423 5.047 30 20 JKED N#CC(CCOC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 914895737 MJWFJRSZYJQHAF-UHFFFAOYSA-N 479.985 5.089 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2ncc(-c3cccc(Cl)c3)o2)CC1 914957422 VJBLWBCLOLKSBA-UHFFFAOYSA-N 478.892 5.074 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 914963747 NWFFRHBYRDWDIB-UHFFFAOYSA-N 484.908 5.985 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915086989 OPVDXMCPOFOKOK-HHHXNRCGSA-N 481.577 5.419 30 20 JKED Oc1c(Br)cc(Br)cc1C=Nc1cccc(OCc2cccnc2)c1 915981874 YKGPEYMBWLEYRC-UHFFFAOYSA-N 462.141 5.642 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)cc1OC 916204300 BTDUCHJZBBPOLD-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccccn3)C2=O)cc1 916204999 CLZDHFZWHIWGDR-XMMPIXPASA-N 488.613 5.339 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccco3)C2=O)cc1Cl 916205543 KAJJUUMKBOTJJV-FQEVSTJZSA-N 487.940 5.241 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 916210275 ZFFFBAFACDSHAM-HXUWFJFHSA-N 498.948 5.310 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ncnc3sc4c(c23)CCC4)cs1 916309835 PNHRKUWHZNQSJT-UHFFFAOYSA-N 462.604 5.384 30 20 JKED CN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916684338 YFJVGXIVRORVNZ-HXUWFJFHSA-N 457.921 5.308 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 916915110 CZUGOYCARFNVSF-XMMPIXPASA-N 462.981 5.375 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)COc2ccc(C3SCCCS3)cc2)cc1 916953126 AKXCFIURLFKUFA-VGOFRKELSA-N 468.644 5.795 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc2cc(Cl)ccc2s1 917430335 HVEUVNCGDJWLFZ-DZGCQCFKSA-N 456.930 5.209 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ncnc3sc4c(c23)CCC4)cs1 917535373 AYXCYTGIHWYXOE-UHFFFAOYSA-N 468.995 5.421 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccc(Oc3cc(C)ccc3C)nc2)C1=O 917664994 PMWATMVJCWMEGE-QHCPKHFHSA-N 488.613 5.067 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccnc(C)n2)cc1 917682528 JTOWIBONKNDCAW-RUZDIDTESA-N 495.608 5.407 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1 917682785 YVDNNVVJSBDANP-SFHVURJKSA-N 499.942 5.356 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2C[C@H]2CCCO2)c1 917710085 QTMPSCYPEQGKAP-DNQXCXABSA-N 494.661 5.015 30 20 JKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 919207429 BSFLUCRYJNODIW-LLVKDONJSA-N 457.766 5.322 30 20 JKED O=C(Nc1ccc(-c2ccccc2)cc1F)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919662429 KAAVVBDAVWTBEY-HUUCEWRRSA-N 462.365 5.021 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)cc1 920142770 MISAMIGTUJOUNG-BJKOFHAPSA-N 481.577 5.036 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1[C@@H](C)c1ccccc1 920143519 XDCNEWBLIWDZEA-MHECFPHRSA-N 450.567 6.200 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](Oc2ccccc2Br)c2ccccc2)n1 920327597 XBPUDKVNWFCFSO-MGPUTAFESA-N 485.359 5.079 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2)no1 920357162 WBBUMDIGZIEHQM-QHCPKHFHSA-N 470.554 5.297 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1 920806297 JSIHGXYEMKIVDJ-KRWDZBQOSA-N 481.549 5.851 30 20 JKED C=C(Br)CNC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 921118580 PIXAPSHKVDAIJM-UHFFFAOYSA-N 456.262 5.296 30 20 JKED COc1ccc(-c2nc(SCCCOc3cccc(C(F)(F)F)c3)nc(O)c2C#N)cc1 921141852 MJWOGENTGVBBNG-UHFFFAOYSA-N 461.465 5.309 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCCOc4ccc(C(C)=O)cc4)CCC3)cc2)C1 1785804886 VYRDVYAAPWSZSJ-UHFFFAOYSA-N 460.574 5.149 30 20 JKED CCSc1cccnc1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785882885 JYDPINIKSQPHOX-UHFFFAOYSA-N 470.598 5.056 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C3=CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1786104506 WLNGPXQKGXJQPE-UHFFFAOYSA-N 493.648 5.456 30 20 JKED Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)n1 1786738317 FGXUBJZCXOVGEQ-UHFFFAOYSA-N 475.709 5.508 30 20 JKED CC(C)[C@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)NCCC#N)cc2)CCC1)c1ccc(Cl)cc1 1788028754 MXWJCJSRZOHUHF-DEOSSOPVSA-N 495.067 5.496 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4occc4Br)cc3)CCC2)c1 1788719379 ZDXXDBDANLFABQ-UHFFFAOYSA-N 482.309 5.114 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)c1 1789014887 ZWWKEFLLOLIBPQ-UHFFFAOYSA-N 476.536 5.177 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@H]4CC=C(C)CC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1789115120 TWGPRXPPUFAOHH-URXFXBBRSA-N 493.648 5.433 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789625705 QAALHJUFEYSUJJ-OAQYLSRUSA-N 497.680 5.760 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)cc2)CCC1 1790006905 HGETYBWZTGRKBX-FQEVSTJZSA-N 492.579 5.016 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)c1 1790075809 NFBIPVMKFKTJAC-GIVPXCGWSA-N 457.574 5.141 30 20 JKED Cn1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c2cccnc21 1790083671 FDQPBNFNSHAYJP-UHFFFAOYSA-N 483.959 5.160 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)cc4F)cc3)CCC2)c1Cl 1790662463 MFJITCKJMRAZQG-UHFFFAOYSA-N 463.896 5.118 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(CO)CC4)CCC3)cc2)cc(C(F)(F)F)c1 1790785368 KMWPMZXDXQCJBM-UHFFFAOYSA-N 499.533 5.123 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)[S@](=O)c3ccccc3)cc2)CCC1 1791059855 AYCMTELZXNASSC-JNQQMQIUSA-N 464.631 5.085 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791254089 JSRLQFQNOLDKML-SIBVEZHUSA-N 487.616 5.072 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCC2)cc1 1791575612 OIXWRNVKLZHNQW-OAHLLOKOSA-N 454.979 5.666 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791592056 BDZMGVUCDBJXDY-AREMUKBSSA-N 469.626 5.124 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@@H](C)C#N)c5)cc4)CCC3)cc2c1 1792123596 KVOWOERJLRGHCH-IBGZPJMESA-N 493.563 6.130 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2nc(-c4ccccc4)cc(-c4ccccc4)n2)C3)C1 1792500783 BFXFPNFQWAECCM-QEIWAGNOSA-N 478.596 5.029 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1)c1ccc(Oc2ccccc2)cc1 1796896204 RPBFMFRDZTVTBZ-KTGTYYRFSA-N 486.593 5.231 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c(Cl)c1 1797872289 AATJTLLGVJMIOG-ZOJFBHTKSA-N 454.014 5.070 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(O)cc1 1799623279 ICNYUBDIFOEMRP-WJMWBRGCSA-N 485.411 5.148 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1 1799646491 HHMYKFUBLPWVGY-WKCHPHFGSA-N 464.604 5.008 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1OCc1ccccc1)C2)C(F)(F)F 1801701922 ZAUCOQUFPQBFIW-REPLKXPHSA-N 492.925 5.289 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@@H]2c2cccnc2)C1 1803223565 WHJSYBCJSWINIG-ANQYBJAXSA-N 492.063 5.681 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCc3cnccc3C(F)(F)F)CC2)C1 1805452303 YMDSDELQFXHJLA-UHFFFAOYSA-N 477.571 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)C1 1805453508 IQQGDWZAQJKHKV-URORMMCBSA-N 475.677 5.364 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@H]1c1cccnc1 1805678400 FDSFXBZZVVYDKJ-CUBQBAPOSA-N 498.627 5.105 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)C1 1806066265 UYCQCWCTQFXTQG-FQEVSTJZSA-N 483.505 5.211 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccccc3CSc3ccccc3)CC2)C1 1806678730 PAKBPXIAMOEOEZ-UHFFFAOYSA-N 494.726 5.743 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 1809183043 JTAUZNVCUDGDMQ-FQEVSTJZSA-N 479.448 5.372 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1809552881 SNHCGNAPIKJWCJ-SMHDKVMMSA-N 478.036 5.313 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c(C)c1 1810273309 ULIAAGUYJVRNET-SHQCIBLASA-N 475.709 5.069 30 20 JKED C=CCC(=O)N1CCC2(CCCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)C2)CC1 1810304409 PSHZRJCNJQCJPB-UHFFFAOYSA-N 452.595 5.061 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1810499247 WQZZVAXKAGHKOP-XLIONFOSSA-N 475.420 5.095 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4ccccc4)n4ccccc34)[C@@H]2c2cccnc2)C1 1811266869 OZWDSNCJFXYGSL-GIGWZHCTSA-N 490.607 5.287 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1811954830 OLPQOSSFTOPCBL-JYFHCDHNSA-N 487.003 5.363 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1812788635 LAHXQXUWSPTRIN-ZCBIBPQVSA-N 486.660 5.635 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1814101604 OMBCFUCEDFOCMG-UZWGSGPUSA-N 478.036 5.128 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](S)C(C)C)n[nH]1 1815244271 ZUQIIQOZDMKLPN-URXFXBBRSA-N 477.634 5.040 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1)c1ccccc1 1815568694 CXYAOVHZYSXMLV-CTNGQTDRSA-N 474.527 5.332 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)[nH]c2c(Cl)cccc12 1817946360 SSHHTYLEWMZNRB-OAQYLSRUSA-N 486.963 5.344 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2F)[nH]n1 1819307721 MMZUPOSBRJFDAF-JXFKEZNVSA-N 476.499 5.225 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)[nH]n1 1819309351 SKEMQHJIXVQRGY-RXVVDRJESA-N 479.531 5.310 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)[nH]n1 1819554332 SWSZXAYIJHVXOD-KRWDZBQOSA-N 451.493 5.055 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ncccc3C(F)(F)F)n[nH]2)c1 1819901739 AQRFZYUPNCAFMG-YWZLYKJASA-N 496.493 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cc(OC)ccc3o1)CC2 1820097882 JHYKUABWYHYJFG-MRXNPFEDSA-N 467.591 5.116 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)[nH]n2)c1 1820207128 AZDUUXJEOQXTRT-VRAWNYFSSA-N 489.620 5.202 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)CCC1 1820223747 RNWNZJLSTBGSKR-IBGZPJMESA-N 453.974 5.067 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821127488 MSOGOOATUSWQOD-INIZCTEOSA-N 490.860 5.599 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821277076 FHWAFAUAPXQPRK-HXUWFJFHSA-N 483.906 5.141 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]n1 1823420149 LEKGCTALIHXAGL-SANMLTNESA-N 477.568 5.344 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1 1824540605 LNOFSRHSHLPDRA-MPUBODTJSA-N 460.709 5.175 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825949966 INGXUJNUUFRMRU-VWNXMTODSA-N 454.655 5.887 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3c1oc1ccccc13)CC2 1826044665 AOCIZVZKLTWZEB-MRXNPFEDSA-N 457.555 5.072 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(Br)cc2C)CC1 1826188429 ISMCAYUPNGXSTM-VXKWHMMOSA-N 488.470 5.154 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)Cc2cscn2)CC1 1827127680 KKLIIEWZOTXHQT-NDEPHWFRSA-N 497.664 5.019 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4ccccc4o2)CC3)c1 1827698069 XWAXUYFOEXFDNX-KXBFYZLASA-N 470.554 5.056 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2F)CC1 1828453504 IWQBTWSTXNWTEK-AZGAKELHSA-N 470.629 5.155 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)cc1 1828514745 PNPDKAPBIHDQFU-MHZLTWQESA-N 486.591 5.045 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1828713066 AFZMQXCKASRJIO-XMMPIXPASA-N 499.577 5.681 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1828823796 BIBKWAMKSYENLG-RPLLCQBOSA-N 490.648 5.087 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccc(C)cc2)CC1 1828827996 BFVBRBMVHSSENL-RPBOFIJWSA-N 454.680 5.475 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2OC)CC1 1828829503 IMIMEERPJHVFCW-OFNKIYASSA-N 459.030 5.350 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)CC1 1829367889 JZJWEJBLMJWEOK-HSZRJFAPSA-N 474.045 5.135 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)cc2s1 1830632521 PQYXUTRVNHJOGC-DEOSSOPVSA-N 474.630 5.151 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CC1 1830685214 CQYBFHUDNRYBQX-HYBUGGRVSA-N 498.465 5.300 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)CC1 1830754076 QAXRAPYBEIQEET-HSZRJFAPSA-N 473.608 5.122 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1830770696 GIASTXQDPFXWCG-SANMLTNESA-N 482.584 5.069 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830978126 OASMETWDYNDZNO-HSZRJFAPSA-N 468.663 5.426 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)c1 1831287392 CPCFOCPCXCMVRV-VWLOTQADSA-N 494.010 5.316 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)S)CC2)c2ccccc12 1832998341 JTQHHKDTUSSWDS-CJFMBICVSA-N 452.664 5.019 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1833076392 BVHWFRUQAKOLQK-JWQCQUIFSA-N 486.100 5.008 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(Cl)cc(C)nc4c3)CC2)CC1 1838302752 XYLWANPXDLMOOI-SFHVURJKSA-N 484.040 5.021 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc3cc(Br)ccc3c1)C2 1844202446 JKOCZHRTRLUWQY-JOCHJYFZSA-N 467.407 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)Cc1cn(C(=O)OC(C)(C)C)c3ccccc13)C2 1844357095 ZMPOGJNFNLGOAR-UHFFFAOYSA-N 493.648 5.163 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 10168884 IJPZLDTWWPQIJC-UHFFFAOYSA-O 457.663 6.428 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 10178745 NZLDSDARGHOFPA-UHFFFAOYSA-O 469.074 6.203 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1cccc(C(F)(F)F)c1 11128522 DOEDHEDXDNUYMQ-UHFFFAOYSA-O 487.523 5.377 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11160491 XVGKSZVJMAGXCR-UHFFFAOYSA-O 451.615 6.233 30 20 JKED C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccc(Cl)cc1Cl 14133503 VYYPLEBWMOIEFV-UHFFFAOYSA-N 478.361 5.385 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C(=O)OC)ccc2C)nnc1-c1ccc(Cl)cc1Cl 15919128 FPRWZXVDYMTDJV-UHFFFAOYSA-N 491.400 5.264 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccnc1 16072111 BGZGUVGNVHVNJW-INIZCTEOSA-N 474.977 5.282 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccnc2Cl)nc2scc(-c3ccc(C)cc3)c2c1=O 16713225 DWWPCZHHWMYGQM-OAHLLOKOSA-N 497.045 5.787 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1 21754832 VFYSBYUVJKHFNY-HXUWFJFHSA-N 454.599 5.841 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)nc2cc3ccccc3cc2c1=O 24891226 SDPSXITUCOVCAF-UHFFFAOYSA-N 470.598 5.225 30 20 JKED Cc1c(Cl)cccc1-n1c(SCCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccncc1 26361945 SCWRXSIHYUUUKM-UHFFFAOYSA-N 474.977 5.284 30 20 JKED C=CCn1c(SCc2nc3ccccc3c(C)c2C(=O)OCC)nnc1-c1ccccc1OC 30686121 BWLQSIMDMKYYKU-UHFFFAOYSA-N 474.586 5.465 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(=O)c2c(-c3ccc(C)s3)csc2[nH]1 32786762 NVHGZOHWTWJNPI-UHFFFAOYSA-N 491.667 5.682 30 20 JKED CCNC(=O)COc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc1OC 33476725 AXJZAZFZUNOYIR-HMMYKYKNSA-N 472.566 5.243 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 43806239 DHCURYNNIDVKMU-UHFFFAOYSA-N 493.976 5.362 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(NC(C)=O)ccc2C)c1 46773944 NRXRIKYYXGHZFG-UHFFFAOYSA-N 498.004 5.240 30 20 JKED C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 60036180 ZUDMLLYZWMTUME-CQSZACIVSA-N 459.855 6.462 30 20 JKED N#CCCSc1ccccc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 78668548 RUAVMQKBSOTSNK-UHFFFAOYSA-N 468.932 5.615 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OCCCC#N)c2)cc1OC 108598555 WVASOEHWAPWDIA-UHFFFAOYSA-N 482.540 5.491 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1F 217674381 VNVZZIOHNDSDDM-UHFFFAOYSA-N 451.354 5.698 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)nnc1-c1cccnc1 302926478 ASTVTBATMOZJHV-QHCPKHFHSA-N 476.005 5.177 30 20 JKED CC(C)Cn1ccc2cc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccc21 303069202 WMZNKSBCTCXCNW-UHFFFAOYSA-N 457.534 5.272 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1 490633243 YBKRRMCEABKHIA-UHFFFAOYSA-N 489.988 5.297 30 20 JKED C=CCN(C(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491045171 AVUIPSWMZDGIMI-UHFFFAOYSA-N 467.399 5.353 30 20 JKED COc1ccc(C#N)cc1NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 493206361 QQDUWCZDNCADMM-LDADJPATSA-N 470.510 5.654 30 20 JKED CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 495027797 LNHYMSPZLHWLIP-UHFFFAOYSA-N 457.317 5.119 30 20 JKED CCOc1cc(F)ccc1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 498612501 BESCKCMNXOUWPE-UHFFFAOYSA-N 455.326 5.359 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 500336346 VIXSJZZEPHCXAV-UHFFFAOYSA-N 472.328 5.859 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 507528123 IBOFNEFKYHQSBZ-GOSISDBHSA-N 469.635 6.774 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 508149563 STMOUWSOOHMTBR-UHFFFAOYSA-N 453.542 5.314 30 20 JKED CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)cc1 508547124 AHRVTZBURIQEST-UHFFFAOYSA-N 496.592 5.192 30 20 JKED CCOc1c(Cl)cc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 509918120 GPTJCKHEKPNUCB-UHFFFAOYSA-N 479.964 5.714 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1Cl 510011866 WPZPHVZSTVLETB-ILBGXUMGSA-N 474.992 5.018 30 20 JKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 510208848 HGALSGXHBBOEER-SFHVURJKSA-N 459.571 5.065 30 20 JKED C[C@H](NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(C#N)cc1 510641181 PLARBWPCMUCOTB-HNNXBMFYSA-N 467.451 6.104 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 510888870 STMWCZNEOVPNHQ-AREMUKBSSA-N 457.530 5.154 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1 510970307 RWWJOBUGSMVSFA-UHFFFAOYSA-N 467.997 5.024 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCCCC(=O)c1ccc(Br)cc1 512033220 MDQMDUSWXBCDPM-UHFFFAOYSA-N 456.409 5.573 30 20 JKED CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513220744 XWAIEBVZPYBXBP-AWEZNQCLSA-N 492.251 5.223 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c2)c1 515475529 FQNYGGFRGNDOKT-HXUWFJFHSA-N 481.581 5.832 30 20 JKED Cc1nc(SCC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(C#N)c(C)c1C 518239948 SKOLCBYDUYVLDC-IBGZPJMESA-N 458.587 5.100 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc(-c2c(F)cccc2F)cs1 518260541 LSTLDXVJOWQMKO-CYBMUJFWSA-N 481.505 5.473 30 20 JKED Cc1sc2ncnc(SCCC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2c1C 519485088 DHYXSFDZIRPMBI-AWEZNQCLSA-N 451.404 5.478 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 519485358 WAANOIAOLRJWPG-HXUWFJFHSA-N 452.345 5.120 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21 520846784 JLQKWSFGQLPOQB-GCJKJVERSA-N 471.582 5.184 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1 521102562 YIIJZZUANTXYLJ-UHFFFAOYSA-N 489.666 5.123 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)n1 521636587 IJKJUUSBMOVEGC-SNVBAGLBSA-N 452.344 5.240 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 522442603 UTMMDIQKPXLHCV-UHFFFAOYSA-N 461.375 5.034 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 523192502 WGRKUHWHFAWGIS-XMMPIXPASA-N 476.621 5.383 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 524382178 OREODFRWXUYWSL-UHFFFAOYSA-N 476.476 5.188 30 20 JKED O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 585775036 DYTCIVGLSNOKTI-RYUDHWBXSA-N 457.358 5.034 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 590880757 TXAQQHPRUPHXJZ-INIZCTEOSA-N 470.476 5.780 30 20 JKED Cc1ccccc1[C@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 608796904 KCENDOAXOLVWMU-GBXCKJPGSA-N 457.961 5.259 30 20 JKED Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1NC(=O)c1ccc(Br)cc1 608883042 SGJNJNMSOCTBOP-UHFFFAOYSA-N 493.361 5.340 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(Cl)cc1 609084736 CNSWFORDYUNPEN-JOCHJYFZSA-N 482.367 5.650 30 20 JKED N#Cc1cccc(OC2CCN([C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3)CC2)c1 609195108 SKELPDWVCZCFRC-RUZDIDTESA-N 490.947 5.343 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(OCc2ccccn2)c1 609437533 DNLAHWNCONJZIY-HXUWFJFHSA-N 492.535 5.140 30 20 JKED Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 613259772 BXGXIEZMJVZOFO-STQMWFEESA-N 455.393 5.766 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCCC2)cc1Cl 726409323 RPINXXREICGGIF-HXUWFJFHSA-N 470.957 5.254 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccccn3)C2=O)cc1 726420534 IPJXAVBARMCTNF-ICAVPRFASA-N 494.642 5.132 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4c(C)noc4C)c(OC)c3)SC2=S)c1 726627763 VBIPDFRNQPTEQE-QRVIBDJDSA-N 476.579 5.266 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c12 727920180 UMEZGAYPFRPMQJ-ZDUSSCGKSA-N 478.892 5.315 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccccc3Br)cc2F)c1 728200598 KZUZBDYETGBKMG-UHFFFAOYSA-N 454.299 5.089 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCCCC#N)C2=O)cc1Cl 728778188 RCXDQCGXWJKSAC-NRFANRHFSA-N 469.010 5.611 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2scnc2C)ccc1Cl 729408682 YZRGQJZWVFXQAJ-UHFFFAOYSA-N 496.441 5.070 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 729635026 ZIKIAAVCVYTRHK-QFIPXVFZSA-N 496.995 5.651 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 730447730 GTJIJOHPIQTDIQ-UHFFFAOYSA-N 465.522 5.519 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2C2CCCC2)c1 730528118 WMMUFUXBOAXYBH-JOCHJYFZSA-N 451.592 5.161 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cocn3)C2=O)cc1 730727845 WSWNEJFNAIYIHH-QFIPXVFZSA-N 496.564 5.071 30 20 JKED CCOc1ccc([C@@H](CNC=C2C(=O)CC(C)(C)CC2=O)c2c[nH]c3ccccc23)cc1OC 731000794 WIXIOJJQPWDIAO-HXUWFJFHSA-N 460.574 5.139 30 20 JKED CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 742336404 CCAWHGIKWXVYNQ-UHFFFAOYSA-N 463.578 5.307 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743450227 YKGAPEXLJYUUBV-ZDUSSCGKSA-N 494.787 6.049 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1F 743524114 HEDNCWBIGRRHBF-NRFANRHFSA-N 475.561 5.050 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 745313810 XOQBUDGZOZNSPX-HRAATJIYSA-N 452.963 5.629 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cscn3)C2=O)cc1 747600126 NQGJFLGAOJPWCD-FQEVSTJZSA-N 499.017 5.160 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 748990215 ZATKAGKIIFHDDM-AREMUKBSSA-N 472.552 5.116 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)OCC(=O)c4ccc(C#N)cc4)c23)cc1 749251820 WXZOVZARCIYUBU-UHFFFAOYSA-N 459.552 5.057 30 20 JKED Cc1nc(-c2cccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)c2)[nH]c1C 749584028 VSBYTPITOKRAML-UHFFFAOYSA-N 481.581 5.548 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1Cl 750303450 LVJOLEHRNFNXHN-UNMCSNQZSA-N 489.881 5.749 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc3[nH]ccc23)ccc1Cl 750836886 WFNQXKBGBOCHTK-UHFFFAOYSA-N 465.962 5.455 30 20 JKED CCn1nc(C)c(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)c1C 750909906 OYBKFIHZBFQDLY-WYMLVPIESA-N 470.573 5.345 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(CC(F)(F)F)C1=O 799217445 PTPTVBKCAVECJQ-FQEVSTJZSA-N 493.551 5.615 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 837386829 CDJGBAJUIZRJKP-UUOWRZLLSA-N 486.597 5.314 30 20 JKED N#Cc1ccccc1Oc1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)cc1Cl 856552853 QEUKMTVSHTYWBO-IBGZPJMESA-N 462.937 5.560 30 20 JKED COC1CCN(c2ccc(NCc3cc(C#N)ccc3Br)cc2C(F)(F)F)CC1 864010965 PZHLKLIGNDFPAJ-UHFFFAOYSA-N 468.317 5.567 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCCC2)c1 913120322 GQLVCOLCPZSNBM-QHCPKHFHSA-N 478.618 5.165 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3[nH]c(C)cc3c2)c1 914765057 ZQGRQNOKNIRHAE-UHFFFAOYSA-N 479.989 5.763 30 20 JKED N#C[C@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccccc2s1 915098509 VAFGCNYWPHRFRQ-IFMALSPDSA-N 455.539 5.010 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 915424006 MSVUGVQUNNTPTM-MHZLTWQESA-N 465.553 5.133 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916134761 YKFSUHUXIJWIBH-VURMDHGXSA-N 479.460 5.474 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(C3CCCC3)C2=O)c(OC)c1 916216965 ADGKZDCQALUPPV-QFIPXVFZSA-N 481.618 5.224 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 916711486 ULPXWGLJFNZZOY-FLKYFCFGSA-N 495.432 5.175 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1NC(=O)c1ccco1 916883704 NMJZHEDAVWHBNL-KRWDZBQOSA-N 469.469 5.116 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(Cl)cc4)cc3)ccc12 916885559 ZWYNFRMCOQNTPV-QHCPKHFHSA-N 486.911 5.295 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)c1 916891350 UCTSSZHDOSDLPM-QHCPKHFHSA-N 455.489 5.263 30 20 JKED Cc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916905771 PMDGLDRJQNNURK-HXUWFJFHSA-N 453.523 5.872 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907569 JQJNHYUYWNSTDD-OAQYLSRUSA-N 497.580 5.062 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 916914611 OUFZEQGEGULXPM-QFIPXVFZSA-N 489.645 5.215 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916929563 BDOGNAGSGKXFNZ-IBGZPJMESA-N 454.404 5.467 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916930861 LKNNKYKMVQHBFV-SFHVURJKSA-N 473.579 5.558 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 916951622 ZPPVGQFHSPCGRE-JPYJTQIMSA-N 461.587 5.434 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916972356 NMWDDADJTZQZSV-LEWJYISDSA-N 463.628 5.155 30 20 JKED N#C[C@@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1nc2ccccc2n1C(F)F 917041498 UEWJGMKAJIFKCE-HNNXBMFYSA-N 491.548 6.072 30 20 JKED COc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(F)c3)=C2C)cc1 917380443 YMMITJOYLYMLIX-DEOSSOPVSA-N 472.545 5.054 30 20 JKED C=CCN(Cn1nc(-c2cc(OC)c(OC)c(OC)c2)n(-c2ccccc2F)c1=S)C(C)C 917481626 SDMOMRHIUYCQCA-UHFFFAOYSA-N 472.586 5.089 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 918553853 HQDNYXWMLYTGGL-UHFFFAOYSA-N 450.907 5.139 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1csc(COc2ccccc2)n1 918709659 PWRNNXXILAOGBB-UHFFFAOYSA-N 457.584 5.229 30 20 JKED Cc1cc(-c2csc(NC(=O)c3ccccc3OCC#N)n2)c(C)n1CCc1ccccc1 919986945 JIJHHXGERPHYIU-UHFFFAOYSA-N 456.571 5.626 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-])c1ccccn1 920111324 MAVPOJHFTRRCIL-UGSOOPFHSA-N 498.326 5.431 30 20 JKED Cc1cc(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)cc1Br 920140529 FSVOTZNGRCBOPT-KRWDZBQOSA-N 482.428 6.030 30 20 JKED C#Cc1cccc(NC(=O)C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)c1 920199600 AUSMLIATNFZNJX-UHFFFAOYSA-N 452.432 5.076 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)COCC(F)(F)F)cc1 921255355 ZQOZADJNXJXWIG-PXNSSMCTSA-N 493.551 5.231 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5s4)CCC3)cc2)cc1 1785881823 QLRHDTDRKWDIIF-UHFFFAOYSA-N 466.566 5.158 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4C4CC4)cc3)CCC2)ccc1Br 1786056513 KOIZSEWYELXVED-SFTDATJTSA-N 478.390 5.115 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786104416 SJQQRMBUPUHJBI-UHFFFAOYSA-N 481.637 5.146 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786182592 XBFHEFUGBKGZPA-AVRDEDQJSA-N 469.626 5.026 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)CCC2)cc1 1786371939 QSWYXUCUDYFWPT-FQEVSTJZSA-N 477.605 5.072 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)[C@@H](S)C(C)C)cc2)CCC1 1786391205 JAZGEAZWFJZLRX-QHCPKHFHSA-N 463.603 5.352 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3=CCCS3)cc2)CCC1)NC(=O)OC(C)(C)C 1786415101 WDCDGWWYOISNFR-FQEVSTJZSA-N 485.650 5.001 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccco4)cc3)CCC2)ccc1Br 1786915308 UVWHGRHDZMWMBD-PKNBQFBNSA-N 490.357 5.375 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cnc4ccccn34)CCC2)cc1 1789507564 ILIWCCDNSRPGBU-UHFFFAOYSA-N 486.692 5.062 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CCC1 1789740064 QZSIRMKPGSNPCA-QGZVFWFLSA-N 452.407 5.091 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4c(C)nc5ccc(F)cn45)CCC3)cc2)c1 1790796652 XOTINQMZMIBUHF-UHFFFAOYSA-N 481.531 5.023 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5o4)cc3)CCC2)c(Cl)c1 1790851931 WWMRALLUOIDATL-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccccc3F)CCC2)cc1 1791589344 ZOXCGYLSGSWZIZ-HSZRJFAPSA-N 495.595 5.492 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnccn4)c3)CCC2)cc1 1791730641 OBSSMVXMZURAHA-UHFFFAOYSA-N 452.558 5.085 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)Cc3cnc(C)s3)cc2)CCC1)c1ccc(O)cc1 1791839990 KVJLUWJQVOKARP-NRFANRHFSA-N 487.625 5.031 30 20 JKED C[C@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1791907343 USNFTYBESYBQLF-HXUWFJFHSA-N 455.558 5.097 30 20 JKED Cc1nc2sccn2c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792125403 YMOLFVAGLOZBKK-QGZVFWFLSA-N 483.597 5.393 30 20 JKED CC(C)(C)c1ncccc1C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792239595 SIUXJFJYWSGQLD-UHFFFAOYSA-N 482.584 5.077 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C2 1793053415 IPNWLHGZVMTZOO-BCDXTJNWSA-N 454.920 5.379 30 20 JKED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C4CCCCC4)c(C(F)(F)F)c2)C3)c1 1799420438 VFLHMMGIENBBDF-WKCHPHFGSA-N 498.549 5.518 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(OCc2ccccc2)c(OC)c1 1799802364 RZGDMUVAOBHALT-MRLUPLGUSA-N 490.644 5.057 30 20 JKED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cccc4s2)C3)ccc1F 1800133684 KRABMFPWZJFTTO-BCDXTJNWSA-N 481.980 5.060 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1 1800405372 IDFUUIZAEUUAOF-REPLKXPHSA-N 482.594 5.147 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1802744396 RHIZDYQPMRSMSR-DVECYGJZSA-N 493.394 5.202 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(Br)cc3F)C2)CC1 1806494978 CMSMVCUOJCERSH-PKNBQFBNSA-N 489.429 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810169247 XRDOZTUXVCIXLR-DQNMFKJVSA-N 497.561 5.588 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)s1 1810273293 CXGJVDLSMAOZBE-WNCULLNHSA-N 495.765 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@@H]1c1cccnc1 1810499202 VFQFRRFDZRSIAW-MHECFPHRSA-N 480.559 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(SC)cc2)[C@H]1c1cccnc1 1810501900 DLNPBVYFLOGTGZ-DHLKQENFSA-N 465.663 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2OC)[C@@H]1c1cccnc1 1810503106 NJOXHQCPDDZOMT-SIKLNZKXSA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cccc2Cl)[C@H]1c1cccnc1 1811710155 OHNQNTAXICRTJT-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1812439405 AQXAPXCASNMNAA-OTNCWRBYSA-N 480.052 5.463 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1812499190 PRPKRYIEPCFTOF-ZJSXRUAMSA-N 480.052 5.465 30 20 JKED CC(C)c1ccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1812829374 DPEVWJINKCUBHU-JPDBUEETSA-N 494.639 5.394 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(Cl)c2)[C@@H]1c1cccnc1 1813862864 UGCVDAJANVBAGR-GCJKJVERSA-N 457.977 5.186 30 20 JKED Cc1c(F)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1814610245 OUGPDYACYFVYOS-HSZRJFAPSA-N 489.551 5.136 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c(Cl)c1 1814622655 XUPRCSBDELBIPJ-FQEVSTJZSA-N 486.334 5.347 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)cc12 1814738811 OXMWUDPXAOWGQA-VWLOTQADSA-N 480.572 5.010 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1815246463 LSBQSOHWRZRGLC-FUHWJXTLSA-N 488.963 5.342 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679264 QYRHVEOUOSTIAB-OAHLLOKOSA-N 479.940 5.190 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4nc(C)ccc4c3)n[nH]2)c1 1818676503 YXUQEMFLDPPBGO-VWLOTQADSA-N 478.556 5.066 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819029077 NCVJHRLZEDCCGN-GOSISDBHSA-N 491.598 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2OC(F)F)[nH]n1 1819311450 ZUZBKTOGZLPKST-APWZRJJASA-N 458.509 5.085 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1 1819384285 IAPXBTLYNHYFHK-QFIPXVFZSA-N 456.707 5.423 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)n[nH]1 1819412170 CDLIAYZUWHWNLQ-DODULRCFSA-N 462.619 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)[nH]n1 1819552273 HTSODFJCOHMNFW-QHCPKHFHSA-N 477.609 5.127 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)oc2ccccc12 1820219491 SDUODDSTFYOHQW-HXUWFJFHSA-N 487.947 5.609 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)[nH]n2)c1Cl 1820220826 CJWGEKLEQFKQCA-FQEVSTJZSA-N 473.920 5.301 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)cc1 1820548972 CNEXWHKQELWGFE-OTOIZHKDSA-N 465.513 5.047 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n[nH]1 1820588505 IHJQOOUKCUBMHT-ICSRJNTNSA-N 460.500 5.503 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(N(C)C)c(F)c2)n[nH]1 1821348797 NJDMSIPBBQDWHJ-FQEVSTJZSA-N 473.568 5.052 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n[nH]1 1821855714 GRFQZKDRHVGYMT-FQEVSTJZSA-N 473.042 5.096 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1)C(F)(F)F 1821992352 OBAJETIZYWIBLZ-LBPRGKRZSA-N 454.499 5.110 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1)C(F)(F)F 1821993023 QHPWSFXRGNUIIV-OAHLLOKOSA-N 494.823 5.506 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)n3C)[nH]n2)c1 1823215665 ZTEHPFDJAYNSJA-BEFAXECRSA-N 498.509 5.014 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)cc2c1 1828117901 FLKBTFRYAFBDBR-NDEPHWFRSA-N 482.628 5.214 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1)c1cccs1 1828417584 PTFNBXBKGFJGNK-RENOVBFWSA-N 496.595 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2SCC)CC1 1829065260 XPBKNKRWMUCBGE-QFIPXVFZSA-N 457.684 5.419 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829747342 FFCWNKRKCMZBTC-VWLOTQADSA-N 462.638 5.302 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c(Cl)c1 1829899740 RXCWDYHZLILFOW-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830172443 UMVSOHKJMBGJSN-MHZLTWQESA-N 474.645 5.420 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830486383 WVKDZJSOKJBXCM-XMMPIXPASA-N 467.972 5.206 30 20 JKED O=C(CC[C@@H]1CCOC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830605033 VXNHXROFKKQUDR-OFSOJUDTSA-N 498.667 5.136 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)cc1 1830627106 LZWVAPYNNUYTBR-CLCZQPDDSA-N 491.582 5.068 30 20 JKED COc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc(F)c1F 1830661399 RZVNPIHPKGYWDF-KOSHJBKYSA-N 495.570 5.148 30 20 JKED C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1830717036 FNFTVWYCJGBQFW-RXFWQSSRSA-N 461.581 5.124 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1830794717 FTBYOTLPHNZPKY-HHHXNRCGSA-N 495.623 6.169 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)CC1 1831204675 VPZULZIYLGTSLV-PKTNWEFCSA-N 479.709 5.458 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1)C(F)(F)F 1831453162 UDVZHQZJIGBNLB-ZHHKINOHSA-N 454.577 5.331 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1832556709 ACAJZVWJFSJLTK-DEOSSOPVSA-N 499.533 5.645 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccn(C)c34)CC2)c1 1832632511 SHTGUJIAJJNROJ-IDISGSTGSA-N 482.628 5.352 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)c1 1832634091 HOWBAQQVCHNOOL-WVXBCFDCSA-N 493.651 5.943 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)CC1 1838373326 IXEVXIVICJVJGI-SANMLTNESA-N 493.692 5.058 30 20 JKED Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)c1Cl 1838821897 ZXWWTUAMMHCHDS-FQEVSTJZSA-N 494.035 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Br)cc(Cl)c3[nH]1)C2 1844357177 JZFQSWVLFOUYBQ-UHFFFAOYSA-N 492.845 5.393 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1[nH]c2ccc(Br)cc2c1C 1847267221 ARJFOTCHHKPKJX-PMACEKPBSA-N 472.427 5.047 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 10170962 ZSLACKVVGVFYAN-UHFFFAOYSA-O 486.529 5.431 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccc(C)cc2)cc1 10173125 PIVCAKQKBJTYPD-UHFFFAOYSA-O 451.615 6.563 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)c(C)s1 10174201 VWKOGWJRTNRBDB-UHFFFAOYSA-O 451.515 5.602 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 10533183 MYTPMTYVGBJMBW-QHCPKHFHSA-N 456.571 5.612 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 10830943 PBKRGSYOXVYDSZ-UHFFFAOYSA-O 452.043 6.593 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 12714500 LUKZDDUDHGXTGA-UHFFFAOYSA-N 462.493 5.315 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1C 21789133 UDRQGLOHJUMTGE-UHFFFAOYSA-N 465.937 5.035 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 22493106 QGYQIUGNLGNVID-GOSISDBHSA-N 490.943 5.072 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(C)c2)cc1 22695050 YMPIMEAZCMIMTK-UHFFFAOYSA-O 459.513 5.751 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22802508 QXFLASOYXVQNND-UHFFFAOYSA-O 475.678 5.668 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N 25650237 BUJSLLZZZZKGLR-UHFFFAOYSA-N 494.414 5.491 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cs2)cc1 32290939 LWTXVKGOZXETJV-UHFFFAOYSA-N 469.566 5.841 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2CCc2ccccc21 32786027 VNXGGJRENMVKEM-UHFFFAOYSA-N 466.610 5.611 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 33188155 HIJJSUYHWCKCPK-UHFFFAOYSA-N 495.526 5.326 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 36186777 YNKCPNVQVDQSTC-CYBMUJFWSA-N 495.586 5.019 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1Cl 68798552 BNUYIPLHMGGSIR-UHFFFAOYSA-N 497.350 5.905 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)nc(O)c2C#N)cc1 71858357 PRGRDIBGBNCSBA-ZDUSSCGKSA-N 463.494 5.080 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(Cl)cc1Cl 113144574 CFKYFYWNYNIGER-CQSZACIVSA-N 464.761 5.660 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1 116721759 IVHXDJPICBDOHM-UHFFFAOYSA-N 457.530 5.770 30 20 JKED O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc(N2CCOC2=O)c1 214907303 DIPLKKWBGTYSBU-YVMONPNESA-N 483.274 5.470 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)cc1 303061204 UQOKYUNLWYUAPS-UHFFFAOYSA-N 481.478 5.555 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1 409853164 CPPSEZIDDLFIAA-UHFFFAOYSA-N 483.837 5.856 30 20 JKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481251779 BSHWIGKCQJAQQN-UHFFFAOYSA-N 481.527 5.417 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 499055655 NNASNYQQGAOURY-QGZVFWFLSA-N 451.979 5.703 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc(O)c3c(C)c(C)sc3n2)cc1 505626339 QWVRMJZZEZWIQT-UHFFFAOYSA-N 474.542 5.258 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 507179379 JYPZYVLZYPHLJU-GOSISDBHSA-N 474.424 5.045 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 508294459 XZBUWESUOXDDKC-SANMLTNESA-N 450.498 5.665 30 20 JKED CCN(C(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1)[C@@H](C)c1ccc(C#N)cc1 509614608 COUHATCQDPGUIK-FQEVSTJZSA-N 461.587 5.199 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)Nc4cccc(COc5ccc(CC#N)cc5)c4)CC3)c[nH]c2c1 509916918 CJEGQYWLJMKZDA-UHFFFAOYSA-N 476.580 6.443 30 20 JKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(C(F)(F)F)c1 510245435 PZMDFAJCEPLTEG-GFCCVEGCSA-N 463.510 5.604 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 510275525 ZPDLTVIPYVSNGN-UHFFFAOYSA-N 475.351 6.223 30 20 JKED CCCC(=O)Nc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 514094010 IUVSNAXXWAQDRB-UHFFFAOYSA-N 458.537 5.348 30 20 JKED Cc1ccc(C)c(Oc2ccc(CNC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cn2)c1 515390238 SCFNPIJURCIGTL-UHFFFAOYSA-N 497.555 5.143 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCOc2ccc3ccccc3c2)cc1Cl 515881339 PGFVLPJNZHPJLF-RUZDIDTESA-N 483.955 5.282 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 516388306 VTKYMDSMLWUZMY-UHFFFAOYSA-N 451.595 6.352 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)(C)C)n2)cc1 517800965 SHVNDJGYOQVMNH-HXUWFJFHSA-N 485.613 5.994 30 20 JKED C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 518757183 ZZGNUTRHNXLOMN-ZIAGYGMSSA-N 450.391 5.074 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3OCc3ccccc3)cc2)cc1 519084566 KXDHULVYMBSWAK-UHFFFAOYSA-N 477.520 5.184 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(-c2cccnc2)no1 519197785 RTTMCOATBDQKHA-HSZRJFAPSA-N 486.507 5.240 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)c1C#N 520105504 UQNXZLKPOXFZDW-UHFFFAOYSA-N 485.396 5.322 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 520147529 OMIOWPJAYGICND-UHFFFAOYSA-N 469.904 5.217 30 20 JKED Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N(C)C2(C#N)CCC2)n1C1CCCCC1 520692673 XFFYLVGKNQYMIG-UHFFFAOYSA-N 488.057 5.321 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 521719635 IKNXRMGWCHTOTI-MRXNPFEDSA-N 460.584 5.015 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2cccc3cccnc23)cc1Cl 522235471 WBWQETNDOWAQHF-OAQYLSRUSA-N 469.932 5.304 30 20 JKED CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 522427810 RZYIEXMMQKVDPD-GOSISDBHSA-N 454.958 5.164 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1 523633220 GMCGAWGBHOFWRT-FQEVSTJZSA-N 483.446 5.108 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccco2)cc1 523921913 HJQLOTCDGXTUOJ-UHFFFAOYSA-N 481.508 5.120 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 553300599 SWQAWEXIWPJJFE-SFHVURJKSA-N 492.670 5.884 30 20 JKED C=CCn1c(SCCOCc2ccc(OC)cc2)nnc1-c1ccc(Br)cc1 594418393 ZDHCSZDZCMEWMA-UHFFFAOYSA-N 460.397 5.211 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1 603656319 KTOFSRBZYACOPE-UHFFFAOYSA-N 456.546 5.207 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 603672559 PBWLMOGPPUPAHX-UHFFFAOYSA-N 450.567 5.492 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603764613 KGZRJZHWOAVFRU-UHFFFAOYSA-N 456.527 5.895 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 603831515 AAQANCFUEHFIAZ-QZTJIDSGSA-N 499.455 6.363 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 604146868 LEIULZQBDKRAIT-UPVQGACJSA-N 477.967 5.977 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 608893764 SIVHCCOVPLCGQQ-UHFFFAOYSA-N 485.034 5.505 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H]3CCSc4c(F)cccc43)cc2Cl)c1 609085865 HBITUSGAOSVVFQ-OAQYLSRUSA-N 495.963 5.222 30 20 JKED N#C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(OCc2ccccc2)cc1 609171981 LEAFTOOTCMOOPW-DEOSSOPVSA-N 494.517 5.277 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(OCc2ccccn2)c1 609437532 DNLAHWNCONJZIY-FQEVSTJZSA-N 492.535 5.140 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1cccc(C)c1 613930284 IWDRSKDBJJOZSO-MRXNPFEDSA-N 476.524 5.308 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)cc1 615574288 JJSIQXPMTJZLML-UHFFFAOYSA-N 473.960 6.439 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccc(Cl)cc1 617896079 JEXFDDUDNZSENI-OAHLLOKOSA-N 470.982 5.065 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cnn(CC)c1 726112410 OLZTZDNOACHQAI-JOCHJYFZSA-N 463.607 5.207 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1cccs1)c1cccs1 726415740 KVFKEOGFFLKKOS-QSTYEGGVSA-N 469.657 5.077 30 20 JKED COc1cc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c(OC)cc1NC(=O)c1ccccc1 726439441 YWDIIUUJCVBUOL-UHFFFAOYSA-N 466.950 5.290 30 20 JKED CC(C)Oc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc3c(c2)CCCC3)cc1 726570166 VBNCKRFHSFZVRX-UHFFFAOYSA-O 488.633 5.147 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 726572902 JKRQLANLVUJJKC-UHFFFAOYSA-O 475.637 6.486 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 726754351 DMFPGUKHNQADQU-UHFFFAOYSA-N 499.368 5.450 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(Cc3ccc(F)cc3)n2)n(C2CCCC2)c1C 727018930 IPIGJLFJQQZJPD-UHFFFAOYSA-N 480.565 5.074 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)nn2)ccc1Cl 727745584 VNCLISMDRCWNDD-UHFFFAOYSA-N 497.791 5.070 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)cc1 727917768 DHQRZOUWBXSUMZ-GOSISDBHSA-N 486.528 5.407 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1CCC[C@H]1c1ccccc1C(F)(F)F 728118400 XFLDFYXCRNUWSC-SFHVURJKSA-N 478.408 6.491 30 20 JKED CN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728121319 FMXHJBBUESITTR-UHFFFAOYSA-N 473.920 5.103 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 728423943 YNHZPXKIMAVDPI-UUOWRZLLSA-N 499.596 5.073 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CCCCC#N)C1=O 728776775 FHAUULKQCGPDSB-QFIPXVFZSA-N 499.036 5.620 30 20 JKED COc1cc(/C=C2\Cc3c(C)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 729151645 UXJHIKADYARIMA-LDADJPATSA-N 481.470 5.862 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(C2CCC2)C1=O 730460954 JCAFOEDVXOLYME-IBGZPJMESA-N 493.507 5.107 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1F 730533651 AXQKSOPEXOHGCW-SFHVURJKSA-N 465.472 5.276 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(F)c1 730536098 OSBIUUCWRXJXMC-KRWDZBQOSA-N 484.380 5.048 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccc(F)cc2)c1)c1ccc(Cl)cc1Cl 730549878 RINXCBICQNZPMW-UHFFFAOYSA-N 486.359 5.814 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(Cl)c2)s1 730719494 GCGWGEWEYIWXHY-RDTXWAMCSA-N 486.022 5.221 30 20 JKED C=CCN1C(=O)N[C@H](c2cccc(F)c2F)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 730764922 ZGUBQGVWRCQWJY-LJQANCHMSA-N 451.395 5.149 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1cccnc1 730942408 PALZSOYXABRPTJ-HTAPYJJXSA-N 462.550 5.251 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1cccs1 731063136 IYMJVPMLWHUEGE-MRXNPFEDSA-N 464.568 5.026 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c1 743523941 FPSDBAINKODROO-JOCHJYFZSA-N 480.565 5.208 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 744907879 JQZYRNLTAPBCSP-GOSISDBHSA-N 463.430 5.168 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)ccc1S(=O)(=O)C(F)F 747067341 SQEPTZLCHXZFGU-UKTHLTGXSA-N 458.482 5.167 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1OCCCC#N 747473112 QXXQIOJJKDFKDX-XDHOZWIPSA-N 489.416 5.546 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cscn3)C2=O)cc1 747600877 RIALHXSBBAKXQV-FQEVSTJZSA-N 499.017 5.160 30 20 JKED CCCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)nn1-c1ccccc1Cl 749048737 NSSCLWSWEXYNPJ-VQIMIIECSA-N 463.969 5.348 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c3ccccc3n2)o1 749148336 GLCFKQPGGOYLGQ-UHFFFAOYSA-N 464.525 5.166 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Br)C3)cc2)cc1 750702727 PTFSEETUZFRUNA-HSZRJFAPSA-N 478.346 5.718 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1Cl 751338853 XHGPSURPQGEGGS-FQEVSTJZSA-N 496.032 5.357 30 20 JKED C=CCN(Cc1cccs1)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 788141575 ONUHFCKGMRGCFU-GOSISDBHSA-N 450.004 5.276 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CC(F)(F)F)C2=O)cc1 799210058 MYOSHPKEXGFGPB-NRFANRHFSA-N 499.514 5.565 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)cc1 799221196 IIJBEBVRLHZICU-QGZVFWFLSA-N 485.915 5.261 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CC(F)(F)F)C2=O)cc1 799223419 QKJQEFMTDMZMRX-GOSISDBHSA-N 483.487 5.055 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837916840 QYOVGWYTDHHSLK-HXOBKFHXSA-N 476.577 5.505 30 20 JKED CCCCCCCCc1nnc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)s1 893335665 APEZFHJAKAGGBI-UHFFFAOYSA-N 464.582 5.210 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 913609084 ZZYDHEBBFDPLBT-NRFANRHFSA-N 482.613 5.374 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H](C)c2cc(C)sc2C)C1=O 914690808 FUOXQJOUYIFOFE-YVEFUNNKSA-N 483.631 5.508 30 20 JKED CC(=NNc1ncccc1C(F)(F)F)c1cc(Br)cc(Br)c1O 915050125 FDHGWUPCYVPABL-UHFFFAOYSA-N 453.056 5.167 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1OC 915103686 BPSHFLIBZCKRPB-CQSZACIVSA-N 464.465 5.150 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 915398423 WXCMFKYKKUUEEN-UHFFFAOYSA-N 461.518 5.090 30 20 JKED O=S(=O)(NNc1ncc(C(F)(F)F)cc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916108964 FVTJWEKTGCTRIA-UHFFFAOYSA-N 487.731 5.097 30 20 JKED CC(=O)Nc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 916137945 WGTQWNGLKXJHMB-FLIBITNWSA-N 453.325 6.100 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(OC)c1 916206496 RSGOMSQVBKUNLC-DEOSSOPVSA-N 491.613 5.235 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC(F)F)cc1 916212784 YMMDNXJJXFRIAA-GOSISDBHSA-N 495.935 5.096 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)c1 916217678 URKVTZABZJNIAN-IBGZPJMESA-N 494.400 5.133 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 916272892 NCLXYAJHWVJPSD-UHFFFAOYSA-N 459.314 5.531 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 916309561 HYMYGRSOBMLTLZ-UHFFFAOYSA-N 491.979 5.661 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccc(OC)c(Br)c2)cc1 916951192 XUESVQJALWLDAD-DNVCBOLYSA-N 457.368 5.251 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995381 FHZUKRBLPALUTR-SIKLNZKXSA-N 484.408 5.829 30 20 JKED CCOC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996045 JISRISHYJNSBOB-MRXNPFEDSA-N 460.342 6.175 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1F 917663794 GXQYNKNXZMPKFN-NRFANRHFSA-N 496.495 5.034 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cccc(C)n3)C2=O)c1 917665392 YGBHASYASOPODO-XMMPIXPASA-N 472.614 5.476 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)c1 917675392 YAYMMQQBEDSZSH-QHCPKHFHSA-N 477.561 5.133 30 20 JKED CC1CCN(C(=S)SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 917806251 YBKNEWNKRAXALR-UHFFFAOYSA-N 453.633 5.020 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1OC 918490336 SRAGHBAGFPTATA-INIZCTEOSA-N 491.396 5.952 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c1C 918946235 PPJLGOWWWBSHTI-UHFFFAOYSA-N 461.587 5.654 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 920110052 JTYSGLHVAUNIHD-UZLBHIALSA-N 494.041 6.925 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc3ccccc3o2)c(OC)c1 920116041 XOFVVAFADOPVSY-OAQYLSRUSA-N 465.509 5.802 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2C)C(=O)N1Cc1ccco1 920169253 RPLIVMVNLMFPKP-QFIPXVFZSA-N 491.569 5.009 30 20 JKED N#C[C@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1 920265005 HZLSEQPIFOTGRC-ZJSXRUAMSA-N 476.026 6.558 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)n1 920326975 MPLFKWOSNVRWGB-PXNSSMCTSA-N 485.359 5.079 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c1 920353535 MBNVLNZHPCONMD-JOCHJYFZSA-N 462.575 5.069 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(F)c(F)c3)C2=O)cc1 920359588 OXKZWNDPYUCUBF-HSZRJFAPSA-N 490.535 5.305 30 20 JKED N#C[C@@H](C(=O)CCSc1ccccc1Br)c1nc(-c2c(F)cccc2F)cs1 920805761 FTYVDXHIMXGDTM-LBPRGKRZSA-N 479.371 6.209 30 20 JKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920806809 QFLFGBQVVKUQPH-IBGZPJMESA-N 460.505 6.071 30 20 JKED CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCC1(C)C 1723423105 YJJWMKKOPBMCON-IBGZPJMESA-N 461.614 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1779271367 MPRJACNDCILMDT-UTOLSJPLSA-N 497.035 5.496 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)CCC2)cc1 1785934113 DLYYLNSITPAPAL-UHFFFAOYSA-N 474.511 5.324 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc2)CCC1 1786155751 XDMXXPSWHWMXIL-UHFFFAOYSA-N 483.653 5.582 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CCC2)cc1 1786679500 MTMCJIHGKRQHIC-UHFFFAOYSA-N 481.021 5.397 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)sc3Cl)CCC2)cc1 1788028783 LUFWVFDHPFBUFT-UHFFFAOYSA-N 479.433 5.084 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)c1 1788358811 TZQFZEIFNABLBI-UHFFFAOYSA-N 475.552 5.318 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4CNc5ccccc5O4)cc3)CCC2)c1 1789474855 FHYUJZLZMZHHGO-CPJSRVTESA-N 494.595 5.325 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccn4ccnc34)CCC2)cc1 1789508159 RDRXSZUSLMLAFL-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccn5)[nH]n4)cc3)CCC2)c1 1789812018 KRLZBTQUWMYYKF-LJQANCHMSA-N 490.567 5.160 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccccc4[N+](=O)[O-])CCC3)cc2)cc1 1790290059 DKSBAQMWGZFXAH-UHFFFAOYSA-N 486.553 5.006 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccccc3)cc2)CCC1 1790471755 OMDQFJISPOSXTO-QHCPKHFHSA-N 477.605 5.005 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)nc4)CCC3)cc2)ccc1F 1790519093 GBKAGQALUGUFPI-UHFFFAOYSA-N 496.464 5.102 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc5ccoc5c4)cc3)CCC2)c1 1790892721 PGQQQFCWMVHBTF-UHFFFAOYSA-N 453.473 5.505 30 20 JKED CC(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)c(C(F)(F)F)c1 1797021771 NOUCECSDCLHSFL-ACDBMABISA-N 495.662 5.391 30 20 JKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1802308133 ZLJQIYWIQZAEAZ-ZSXFQPRASA-N 489.635 5.480 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1802948067 XPINNNLJNKCUCB-NAKRPHOHSA-N 484.644 5.261 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)[C@H]1c1cccnc1 1803087831 WTMHSNMOCRALPO-CUBQBAPOSA-N 498.602 5.371 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)cc2F)c1 1803876994 JANBAKBLCXJFIK-NKGKWGDASA-N 474.363 5.325 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1804172755 OXZAUSGZPKPJQU-KCWPFWIISA-N 489.616 5.127 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)cc1 1805948086 UVWQOUUHPVTZNZ-CLJLJLNGSA-N 494.752 5.081 30 20 JKED Cc1cc2cccc(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)c2[nH]1 1809272541 GZFMEYFDUSUIEK-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@@H]1c1cccnc1 1810173065 DWLMQWAMAZQJMF-BWLQLKEOSA-N 498.627 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1810173767 BHFBRUQVHVDOPN-WWPJHQMMSA-N 482.628 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2CCCC3)[C@H]1c1cccnc1 1810179003 VWHBMJDDQDYJJI-XFAFFCHDSA-N 457.618 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)[C@@H]1c1cccnc1 1810489923 PUKVCYFZJITHSX-RCZVLFRGSA-N 472.589 5.049 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c(Cl)c1 1811850364 PUYNVTPOJULMPM-JYFHCDHNSA-N 484.987 5.117 30 20 JKED CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1812036297 XTHROLKIHOCMTF-JYFHCDHNSA-N 487.003 5.193 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302150 PSAYUZASSXVSAY-RBISFHTESA-N 497.595 5.283 30 20 JKED C[C@H](CC(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1)c1ccccc1 1812734921 SJRXZYZNJXGKBH-PSNDRKBRSA-N 487.003 5.120 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)[nH]n2)C1 1814397726 WCMAZBIDNWZGMG-IIBYNOLFSA-N 474.527 5.277 30 20 JKED Cc1cc(Cl)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814595115 UQAJZMJONSWDAM-UZUQRXQVSA-N 475.980 5.618 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)c(F)c2)n[nH]1 1814674918 IXHDKHGZQKGFMQ-UTKZUKDTSA-N 458.965 5.205 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)cc2s1 1814739231 PQJMQTXTEYIMRR-JOCHJYFZSA-N 486.601 5.071 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1)c1ccc(O)cc1 1815573292 RTCOYQQHIKBEDQ-RXVVDRJESA-N 490.526 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1819302997 PWFUZCPIFHRCSO-FYYLOGMGSA-N 485.028 5.683 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)[nH]n1 1819309115 MRGZXWPXKHIESJ-PZJWPPBQSA-N 490.526 5.511 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)[nH]n1 1819554584 JQCUNCWCRVKMMB-AWDZXFJFSA-N 464.635 5.282 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820148776 FPIMCJRNLGBTGU-YKSBVNFPSA-N 497.599 5.226 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)[nH]n2)c1Cl 1820219368 QJUBBNXREPXLIW-VGOFRKELSA-N 493.917 5.158 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cncc4s3)[nH]n2)c1 1820484235 SBNNGZXINBFNTQ-IBGZPJMESA-N 490.976 5.164 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)ccc3OC(F)(F)F)n[nH]2)C1 1821363210 GCZKWJBGZNRLTQ-QGZVFWFLSA-N 482.890 5.234 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1821985856 KBHHUHREUXBLLZ-JOCHJYFZSA-N 479.531 5.297 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 1822282462 YNGFZYZQLBOHAI-LJQANCHMSA-N 493.460 5.360 30 20 JKED C[C@]1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CC=CCC1 1822981374 PYJNCOOVTHMINK-YKSBVNFPSA-N 485.510 5.352 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1823131262 QYZDFYFVCXJECQ-MWTRTKDXSA-N 491.979 5.318 30 20 JKED O=C(CCCC(F)(F)F)N[C@H]1CCc2nc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)sc2C1 1823293064 YUXCHWDNPGRZHL-ZDUSSCGKSA-N 497.436 5.259 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824321714 OVWWKNKXTGSGNY-DEOSSOPVSA-N 494.035 5.086 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1 1824761299 QCCBOPKEGAQSTM-XZOQPEGZSA-N 489.701 5.046 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1826374451 XWODXNGTNBNWQK-DWACAAAGSA-N 487.644 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827713474 IQTBATDVTYIGMM-RPBOFIJWSA-N 475.633 5.652 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1828343877 ICEYBRAHLJFCRQ-SANMLTNESA-N 475.658 5.087 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)cc1 1828459342 LYFMNICHPJNULD-MUUFRUSVSA-N 475.677 5.592 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cnccc34)CC2)c1 1828656247 FEUSAPYUEICDEG-KMRXNPHXSA-N 480.612 5.409 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1828822640 LCSXPWDEDWQPQT-DNQXCXABSA-N 476.583 5.636 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828828111 CXZIHWSFQZBNMQ-NLFFAJNJSA-N 469.576 5.448 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829939716 PQZDLHOWAMOHHW-DEOSSOPVSA-N 483.534 5.433 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c1 1830028545 GSGHTULQIDWVNW-DFBJGRDBSA-N 464.009 5.514 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCCCC3(F)F)CC2)c(Cl)c1 1830720545 AWEHYIUNNISYBU-RBBKRZOGSA-N 477.983 5.270 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cc(Cl)ccc3Cl)CC2)c1 1831240235 VYRSJIKWSKWGHX-HSZRJFAPSA-N 487.431 5.059 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1831447444 UDBOEQPQNWSEAV-HXUWFJFHSA-N 483.481 5.022 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C(C)C)cc3)CC2)c1 1831599528 SGAGZSUWELSDEI-MUUNZHRXSA-N 487.644 5.166 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnc3[nH]ccc3c2)CC1 1831729006 GQDJIARWAXDGPQ-XMMPIXPASA-N 464.654 5.108 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)S)CC2)c1 1831845027 IDHRINWKTFDMHV-IIBYNOLFSA-N 481.500 5.124 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)cc1 1832629622 SSWAQDGDAYMLCO-XMMPIXPASA-N 467.972 5.092 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccncc3C(F)(F)F)CC2)c1 1832630777 MOBGXYFVUGEPAW-MHECFPHRSA-N 498.549 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)Cc3ccco3)CC2)c1 1832635786 RZEKGBCWSZODQZ-YPCDYVTLSA-N 461.606 5.019 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3)CC2)cc1C#N 1832701638 NDPHFHBSOAYWSV-MHZLTWQESA-N 487.644 5.212 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832704182 IYXVMRMDWMKWRD-GCJKJVERSA-N 481.559 5.048 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832962271 QLOCEQPQMXQCQB-PVOYRIJTSA-N 469.576 5.321 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)CC1 1835815927 JPCWTAAXXXJZRP-DNRSQYFGSA-N 471.730 5.157 30 20 JKED CC1(C)CCC(CC(=O)N2CCC(OC3CCN(C(=O)C#Cc4ccc(Cl)cc4)CC3)CC2)CC1 1836649235 XKXRVUNCESNLAJ-UHFFFAOYSA-N 499.095 5.297 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1ccc(Cl)cc1C(F)(F)F)C2 1844253851 AEHJXOTUCNHYOT-UHFFFAOYSA-N 485.022 5.227 30 20 JKED C=C(Cl)CSC1=N/C(=C\c2ccc(O)c(OCC)c2)C(=O)N1c1ccc(OC(F)F)cc1 9031614 IKJOLHDENGVOBD-YVLHZVERSA-N 480.920 5.622 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nnc1-c1ccccc1 9334295 OUBYMSOBTGFKCY-UHFFFAOYSA-N 465.579 5.704 30 20 JKED CC(C)Cn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl 9847556 VMXLNKOMUNAAKB-FQEVSTJZSA-N 454.427 5.054 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(CC)cc2)c1C 11153829 MTIBNLYVEHTMOM-UHFFFAOYSA-O 478.638 5.326 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)n(C2CCCC2)c1C 12261181 OUFZZDISJMJRQI-UHFFFAOYSA-N 494.979 5.515 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872355 HJCYMRAYVRACMU-UHFFFAOYSA-O 486.430 6.188 30 20 JKED N#Cc1ccc(OC[C@H](O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 15237040 DLORBAQUBOFDEG-FQEVSTJZSA-N 476.989 5.050 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nnc1-c1cccc(C)c1 18771198 IUQXBXPFKWUYMX-UHFFFAOYSA-N 461.616 5.602 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 20794845 BPYJYJFZPRSZCI-CYBMUJFWSA-N 491.585 5.101 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2)nnc1-c1ccc(Br)cc1 21927725 SOQUWNHWEVSWOH-HNNXBMFYSA-N 457.397 5.321 30 20 JKED COc1cccc(NCc2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)c1 22719264 HLMGBLDTSIDKFC-SFHVURJKSA-N 490.633 5.395 30 20 JKED COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(C(=O)OCCCC#N)ccc2Cl)cc1 23076810 ZAKNHQQGPLVIPI-UHFFFAOYSA-N 498.988 5.205 30 20 JKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 24346629 FQKTWPTUKZEQQQ-SJORKVTESA-N 473.602 5.421 30 20 JKED CC(C)Cn1c(SCC(=O)N(C)Cc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 25116018 OULDKZCGJGYDET-UHFFFAOYSA-N 488.444 5.530 30 20 JKED CC(C)(C#N)c1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 28373737 QOLYIVDMPVOIGT-JOCHJYFZSA-N 493.361 5.950 30 20 JKED Cc1ccc(-n2ncc(/C(O)=N/c3nc(CN4C[C@H](C)O[C@H](C)C4)cs3)c2C2CC2)cc1Cl 28934552 TZUHPZDAFXTVIQ-IYBDPMFKSA-N 486.041 5.414 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)n1 32290455 PZCDRHKCPUVAJG-UHFFFAOYSA-N 456.527 5.373 30 20 JKED COc1ccc(N(Cc2cccs2)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 106207198 QJJKJLTXKUGNGD-UHFFFAOYSA-N 488.569 5.326 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1-c1cccc(Cl)c1 108374402 SDBUZYBZDQMVRR-UHFFFAOYSA-N 456.933 5.732 30 20 JKED CC(=O)Nc1ccc(/C=C2/CC(c3ccccc3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 208021192 KBBWWJXYQGTQRS-WVZLMVLXSA-N 464.565 6.217 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)ccc1OCC(=O)Nc1ccccc1 208827528 WUIQBWBBPWMSKB-YBEGLDIGSA-N 484.552 5.126 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1cccs1 251530956 KENUBIVEZUWHAD-AESZEHBQSA-N 469.661 5.668 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)cc1 303045608 QPDRSDIRDRNOPU-UHFFFAOYSA-N 470.598 5.408 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc2)cc1 303072718 XVBSLVJEMCITBE-UHFFFAOYSA-N 472.520 5.050 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3cc(Br)cs3)c2)c1 409805308 JRYYARUINDWCFZ-UHFFFAOYSA-N 454.349 5.206 30 20 JKED Cc1nnc(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1Cc1ccccc1 490650399 QQIXKUFDNUAXJD-UHFFFAOYSA-N 483.597 5.011 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 501127667 IOIFMNWCLRLGTG-INIZCTEOSA-N 467.982 5.908 30 20 JKED Cc1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)n1 502688971 DNPZCVSHYPMJPI-ZDUSSCGKSA-N 461.399 6.016 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 508142204 JYALDPDQQUPDFZ-UHFFFAOYSA-N 472.442 5.097 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 508262845 CFURPQVVVKINTB-UHFFFAOYSA-N 456.546 5.099 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@@H](C)c1ccc(C#N)cc1 509589111 TZFPBPDXZKVZQJ-INIZCTEOSA-N 480.362 5.318 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cnn1-c1ccc(C(F)(F)F)cn1 509655946 DDXRFCATYWRLJH-UHFFFAOYSA-N 491.473 6.326 30 20 JKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509850619 GIADHQWOSFLUKX-UHFFFAOYSA-N 462.937 5.087 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 510272876 SRSPUDVJKRAOJJ-HNNXBMFYSA-N 490.610 5.595 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(COc3ccccc3)CC2)cc1Cl 510640926 NIXPVOHSZOGOMT-RUZDIDTESA-N 459.977 6.318 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 511162990 ULWZUHCZTLPEIS-SFHVURJKSA-N 461.562 5.678 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)o1 511171119 IBNHOESBPJEPIL-UHFFFAOYSA-N 471.900 5.888 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5n4C(F)F)cc3)o2)c1 515539090 JPDJHACDZWZIPA-IBGZPJMESA-N 469.451 5.947 30 20 JKED Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)sc2nc3n(c(=O)c12)CCCCC3 515624653 NYJPCMINCINZHF-UHFFFAOYSA-N 486.622 5.444 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Oc2ccccc2)cc1 518671263 WMHYEYJMTISMQD-MOPGFXCFSA-N 459.571 5.547 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCOCC1 519053265 ZUBGPFQOZQBWLN-UHFFFAOYSA-N 471.557 5.538 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)c2)c1 520605650 CGMQPQQBAGNFBA-UHFFFAOYSA-N 495.583 5.651 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 520944120 UDBFMMYVXCJVJR-RXVVDRJESA-N 451.592 5.018 30 20 JKED N#CCCSc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1Cl 521716227 KHRMOLLLTPIADX-UHFFFAOYSA-N 462.958 6.923 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3sccc3Br)cs2)c1 523274083 ORZXUCAVVKHTCT-UHFFFAOYSA-N 486.372 5.930 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)cc1 524433173 QYJFDQSHDUIDFQ-NRFANRHFSA-N 450.479 5.216 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc(C)nc21 524458722 CUMDLYWKBGAZST-QGZVFWFLSA-N 457.509 5.553 30 20 JKED COc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1ccccc1Cl 553339189 BUNIJNWXPSMIMQ-QGZVFWFLSA-N 466.990 6.432 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 555335657 TTWXTSVLCUZMLT-LJQANCHMSA-N 484.968 6.301 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nc2sc(C)c(C)c2c1=O 588380653 QSHLWJVVGRAFFQ-KSSFIOAISA-N 465.040 5.145 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 590337068 RAGINQRPBRLLSO-UHFFFAOYSA-N 463.397 5.649 30 20 JKED C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 590979347 PHHMHQDLLYXHEB-NYTXWWLZSA-N 487.435 5.263 30 20 JKED C=CCn1c(SCC(=O)NC[C@H]2CCOc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 595284304 GWWOFKIOHOYNSY-OAHLLOKOSA-N 489.428 5.213 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C 603600889 JYXFWCTWCOWCMT-UHFFFAOYSA-N 460.946 6.392 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603627112 RRLSMUJGSOSAIM-UHFFFAOYSA-N 490.519 6.335 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)o1 603758690 AXHWSLIEATVCCD-JOCHJYFZSA-N 472.928 6.428 30 20 JKED COc1ccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 603779060 IVBBZEJQUWLHIJ-XMMPIXPASA-N 455.583 5.230 30 20 JKED CCCNC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604089456 AEDHRHFMAAAYHL-UHFFFAOYSA-N 462.937 5.465 30 20 JKED CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604193480 MMEDJUJBXJNBMP-UHFFFAOYSA-N 454.958 5.116 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604288823 VYGCIMTYTGOASU-QZTJIDSGSA-N 485.428 5.926 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 604509597 IBIUPEUDOAGJIZ-NRFANRHFSA-N 489.403 5.208 30 20 JKED CC(C)C[C@@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 608993733 FRANEUDWZFJJSG-OAQYLSRUSA-N 459.516 5.027 30 20 JKED CCCN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H](C)c1ccc(Cl)c(Cl)c1 609001330 YKBYYKPAGSKDNQ-MRXNPFEDSA-N 460.409 5.412 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1C 609143551 QXSMMWZZLNFWAG-UHFFFAOYSA-N 480.572 5.150 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)[C@H](Oc3ccc(Cl)c(Cl)c3)c3ccccc3)CC2)nc1 609327080 OLYJJVULEBYHJN-XMMPIXPASA-N 481.383 5.165 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)CCCSc3ccc(Br)cc3)CC2)c1 609372559 DBYJBPXTEUXQNL-UHFFFAOYSA-N 459.409 5.263 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1OCc1ccc(Br)s1 614439856 PNAJGZPGFVCIJJ-HNNXBMFYSA-N 483.343 5.729 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c2ccccc21 649622294 SUFKEZNNJUJSSP-UHFFFAOYSA-N 477.593 5.701 30 20 JKED CCC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 726074267 OZDVSKWDQHSKEB-WUFINQPMSA-N 495.627 5.871 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccccc3)S/C2=N/CCc2ccccn2)c(C)s1 726109391 OEGVWQWWWQSNNF-VNJMFPOXSA-N 492.670 5.392 30 20 JKED O=C(C[C@@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 726398614 CYNOJPVMUWJSCP-MSSAIVSKSA-N 498.530 5.129 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2Cc2ccco2)c1 726410815 JCTRMIWUJINTFF-QFIPXVFZSA-N 493.972 5.083 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CCNC(C)=O)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726572452 GAZTUZAPYLPNQJ-UHFFFAOYSA-O 498.672 5.255 30 20 JKED COc1ccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1OCCCC#N 726626795 GBVBXICXYZARJK-DEDYPNTBSA-N 492.544 5.798 30 20 JKED CCn1c(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nc2ccccc21 728121981 RUIRIMNJWYUAMY-UHFFFAOYSA-N 459.937 5.482 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)c1 728185623 NILOYMPBJDZAMA-UHFFFAOYSA-N 499.530 5.556 30 20 JKED COc1cc(/C=C2\CCOc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 728441062 CNYMUAMITANNIR-NBVRZTHBSA-N 463.917 5.415 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(CCCCC#N)C2=O)cc1Cl 728778210 RQIBVQWPXXFDFR-NRFANRHFSA-N 485.009 5.311 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1 728779005 WMAFMJZKICMNBW-OAQYLSRUSA-N 470.545 5.236 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCCC#N)c1 728851379 AUUJKURZMVSVMD-UHFFFAOYSA-N 499.942 5.164 30 20 JKED C[C@@H](OC(=O)/C=C\c1nc2ccccc2s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 729248321 HFQHYKQKKCAZHF-XMXAVACDSA-N 451.573 5.082 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cc3ccccc3o2)C1=O)Nc1cnccn1 730717490 NNNIXSBDRDXOEG-FQEVSTJZSA-N 491.960 5.037 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1C 730943293 BLYAQKSHUFBIOM-FDDCHVKYSA-N 476.577 5.559 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c2Cl)cc1 731060227 IQEKBBGJBHVLKE-KRWDZBQOSA-N 497.020 5.249 30 20 JKED C=CCc1cc(OC)ccc1OC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 732637913 BMIWUEJZAAFROV-UHFFFAOYSA-N 459.542 5.043 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3ccco3)C2=O)cc1 743524232 INWHMKBUPFIVAJ-JOCHJYFZSA-N 479.533 5.090 30 20 JKED Cc1cccn2cc(COc3ccc(C=NN4C(=O)c5cccc6cccc(c56)C4=O)cc3)nc12 744996974 IYQMHPDDUHAWTQ-UHFFFAOYSA-N 460.493 5.005 30 20 JKED C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OC 792634846 QRAICMYJWCOBDG-NSHDSACASA-N 458.725 5.404 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN(CCC#N)Cc2cccnc2)c1=S 798150884 NBARHSUIPUUDHG-XMGTWHOFSA-N 462.623 5.440 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3ccc(-c4ccccc4)cc3)nc(O)c2C#N)cc1 824936210 UTOFJWPFJUMQSK-UHFFFAOYSA-N 468.538 5.127 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1ccc(Cl)c(Cl)c1 837530596 UECQJTLEEJCXBU-OAHLLOKOSA-N 476.307 5.516 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)cc1Cl 837535378 DKEWXKLZPIGSLV-AOMKIAJQSA-N 495.004 5.465 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)N1C1CC1 838526046 MYQLQGJXYDHLRL-SFHVURJKSA-N 477.558 5.133 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cs2)cc1 900270926 MSWMJSAYTURSSK-QGZVFWFLSA-N 465.550 5.565 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CC1 904433247 OQDKYZYGWOCDBL-UHFFFAOYSA-N 484.560 5.226 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(OCc3cccnc3)c2)no1 904503731 WOBKEDPDLHSEHD-LJQANCHMSA-N 456.930 5.419 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1C 912828288 DOCZVFMAPRYZKY-UHFFFAOYSA-N 472.618 5.009 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(NC(C)=O)c1 913118520 VXRACJUXKQKPMY-QHCPKHFHSA-N 474.586 5.169 30 20 JKED Cc1csc(SCc2ccccc2C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1 913208683 OSSBKUJAMVTVDJ-QGZVFWFLSA-N 483.590 5.375 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CC)ccc1Cl 914527878 LDKVXZDRRACBPW-OAHLLOKOSA-N 455.407 5.245 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccccc2COC(C)C)C1=O 914544567 ZFJKECYSRGPUED-QHCPKHFHSA-N 467.635 5.003 30 20 JKED C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1)C(C)C 914683617 VJTLCEXXVPSWGH-UHFFFAOYSA-N 467.418 5.411 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 914867525 XHCKNFIENUPRRC-UHFFFAOYSA-N 453.420 5.575 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1OCC 915099537 WAOJIYPFMSPKSP-AWEZNQCLSA-N 459.365 5.275 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(Cl)cc2)cs1 915102265 USRAORMOXCMZIT-ILGMOKPNSA-N 468.022 5.362 30 20 JKED Cc1csc(SCc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)n1 915104062 JGOIGMLBSBFNIK-MRXNPFEDSA-N 454.527 5.979 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OC)c(F)c2)cc1 915110980 GRHGTELWXTVYJC-QHCPKHFHSA-N 493.560 5.003 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CC2CCC2)C1=O)Nc1ccc(F)cc1F 915116918 SFZBQNRQKAYPEO-IBGZPJMESA-N 495.498 5.327 30 20 JKED Cc1sc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C(N)=O)c1-c1ccccc1 915284450 JKHUXELWDJZUAL-UHFFFAOYSA-N 467.550 5.525 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)c1=S 915828392 UYLZXYFGNAYYFO-SANMLTNESA-N 499.640 5.284 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(OC)c1 916207387 WXIGEWJSPVZTNO-IBGZPJMESA-N 490.423 5.218 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccccn1 916215134 DLVCRXCTKHDADZ-NRFANRHFSA-N 464.978 5.204 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl 916367048 RAWGFFMUHDZSTN-LJQANCHMSA-N 493.416 5.585 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 916924154 XBUSTWDLFIBGQO-IBGZPJMESA-N 492.988 5.468 30 20 JKED N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 916928431 LACDGPAWVJUQRK-LBPRGKRZSA-N 450.372 5.433 30 20 JKED N#C[C@@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 916977725 XKAJXIJQKBUHHD-NRFANRHFSA-N 498.995 6.269 30 20 JKED N#C[C@@H](C(=O)c1ccc(N2CCNC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996494 NCMMIAVDXHFOKX-INIZCTEOSA-N 457.342 5.137 30 20 JKED Cc1csc(SCc2ccccc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1 917042188 DGNXOKULHFPKNA-INIZCTEOSA-N 489.569 6.862 30 20 JKED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(Oc2ccccc2)c(F)c1 917144873 QDEHUNKUZAVLJO-JJEJIETFSA-N 474.941 5.032 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2nc(C(F)(F)F)nc3ccccc23)cs1 917214474 BARCVYMOQMKXLS-UHFFFAOYSA-N 490.898 5.889 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cs1 917559924 FPWCFHVJCQGOHT-LUPFXAGCSA-N 459.527 5.874 30 20 JKED CC(=O)Nc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)c1 917674307 MDSWVXQCUNEPQO-XMMPIXPASA-N 486.597 5.114 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccsc2)C1=O)Nc1ccccc1 917697392 ZYMSPXPDPQULAP-LJQANCHMSA-N 457.527 5.187 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2C#N)o1 917700026 MULREWVJJCXXFB-MOADCYBESA-N 498.608 5.113 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3C)C2=O)c1 917707192 PXZKEEZTCZFARN-DEOSSOPVSA-N 484.581 5.036 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(C(C)C)c2)n1 917714173 ORLQYBYDRWIPCT-HSZRJFAPSA-N 491.592 5.208 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(Cl)c1 918028194 VOEMYZIAXNBAFY-OAQYLSRUSA-N 494.407 5.609 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 918628526 YRCMUUZKFNCUAJ-NXMBOHNASA-N 455.318 5.183 30 20 JKED C[C@H](OC(=O)c1csc(-c2cc(Br)cs2)n1)C(=O)N(CCC#N)c1ccccc1 919632635 UCMQJIGUDJZGFO-ZDUSSCGKSA-N 490.404 5.126 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 920108240 DDRLRPOQMPAAAU-SANMLTNESA-N 487.515 5.891 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2c(C)noc2C)c1 920353149 BRUFOOFQEPPBMX-NRFANRHFSA-N 482.993 5.414 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C(C)C)cc2)no1 920353411 JARSYUGFQFMACL-QFIPXVFZSA-N 480.565 5.406 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920353612 NPMIFPMNIUFPGQ-FQEVSTJZSA-N 468.966 5.105 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(C[C@@H]2CCCO[C@H]2c2ccccc2)C1=O 920354035 YGRBKNHEXFWUEC-RSEQLOHWSA-N 479.646 5.046 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2C)no1 920354155 ZMAASKYIRYFFEZ-DEOSSOPVSA-N 484.581 5.605 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 920354751 FWFYKCOZPVMJJV-NZJKTDFXSA-N 491.657 5.017 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 920871822 YBRPLERKQSUYSS-UZLBHIALSA-N 493.551 5.257 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)C1 1780014529 ZXKZNORTKKCWNB-MUUNZHRXSA-N 491.657 5.332 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)[S@](=O)c3ccccc3)CCC2)cc1 1786104468 VHIKQIGKHUGNGT-KGMZSHBCSA-N 464.631 5.085 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)CCC1 1787701978 DTEKWDQSVNOOCN-FQEVSTJZSA-N 457.574 5.317 30 20 JKED C[C@H](Oc1ccccc1)C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649880 FFGLUTAKFJEJHO-IQGVVSCOSA-N 474.582 5.089 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)C4(CC)CCC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1789203568 MJKRYDCVDQKRLZ-QFIPXVFZSA-N 481.637 5.266 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(C(F)(F)F)nc4ccccc34)cc2)CCC1 1789369974 UIDDACNVOIBSDS-UHFFFAOYSA-N 466.463 5.305 30 20 JKED Cc1cc(C)n(CCC(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)n1 1789509890 SONAWXSMJLBWBB-UHFFFAOYSA-N 478.713 5.075 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1 1790521510 OBELZGKFBVTTGQ-QHCPKHFHSA-N 495.620 5.124 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3F)CCC2)cc1 1790566768 DHJMKINGHOMFED-SFHVURJKSA-N 481.568 5.163 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c(F)c4)cc3)CCC2)c1Cl 1790654467 YOVBEZMYEUUFRA-UHFFFAOYSA-N 463.896 5.118 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791301221 UKLBTGWZZIPCHL-HXUWFJFHSA-N 491.579 5.122 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CC=C(C)CC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681269 CAMOOJJQTPRDNR-QPPBQGQZSA-N 493.648 5.433 30 20 JKED COc1ncc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792122287 NQGUBFAYPZJDLX-KRWDZBQOSA-N 488.975 5.432 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)ccc(O)c4F)CCC3)cc2)c1 1792127399 XTFXPJHQENQXSF-INIZCTEOSA-N 475.495 5.359 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=C(C)CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205937 AVAJYYZIOHEJMR-XUZZJYLKSA-N 495.664 5.726 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)[C@H](C4CCOCC4)CN5)CCC3)cc2)CCC1 1792229714 UVNVUXOASDOZPQ-VWLOTQADSA-N 498.627 5.064 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(C(F)(F)F)cc3)CC1)C2 1798337559 QKIUGCZNWFIUNF-LRSLUSHPSA-N 460.540 5.144 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1-c1ccccc1)c1ccccc1 1799022842 GRWQKINBTIUYEC-HVWQDESWSA-N 477.608 5.198 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1 1800793188 AOCOHEPRYQANCK-MUJYYYPQSA-N 475.363 5.244 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1803559809 IRWFQORCJYBDKS-NTKDMRAZSA-N 498.048 5.252 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)cc1 1803685441 VNFORWUHUDGXMI-PNVLYOGYSA-N 480.612 5.287 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cnc(CCCCC)s3)CC2)C1 1805458237 BVDWIBUYJACPOS-UHFFFAOYSA-N 457.684 5.489 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C)c4ccccc34)CC2)C1 1806019965 OQGLVOUAKCPYBC-UHFFFAOYSA-N 476.661 5.295 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1806678583 FMUMZDXZPIZQIN-UHFFFAOYSA-N 493.698 5.660 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)C2)CC1 1806757462 VRLZBTDOAQETBL-QFIPXVFZSA-N 491.717 5.294 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2C(C)(C)C)[C@H]1c1cccnc1 1807777537 QVNURXWFUDHLTN-FYYLOGMGSA-N 462.638 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1808463168 NGTQZSLCCMDDSA-RSXGOPAZSA-N 484.600 5.133 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 1808982218 TULXJWXDQIBPHJ-FCTLNWHPSA-N 488.591 5.495 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1810174208 MORVQKWNESRHOR-DGWZTRNLSA-N 451.655 5.462 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1810503110 ODXIZYFNVNQFKF-CVDCTZTESA-N 499.011 5.264 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1811228823 LEZQTKOYXQHDDG-RSXGOPAZSA-N 475.633 5.347 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811252849 ZMUYRHKBZZDPND-BKHJTQGXSA-N 489.619 5.157 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1812592056 JMXLJJVNAZELAA-WJPUGNRLSA-N 479.930 5.286 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812803967 HPTXKLCNHDZNJZ-AOYPEHQESA-N 453.671 5.852 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)[C@H]1c1cccnc1 1813049137 MQXDPOJHLONCFG-QCDSWUKFSA-N 490.607 5.124 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4c(ccc5ncccc54)s3)[nH]n2)C1 1814396347 ADARHSUWCNBERU-NRFANRHFSA-N 471.586 5.445 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)[nH]n1 1814444139 VEPAWSXWWWUSML-VWLOTQADSA-N 499.615 5.583 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)[nH]n1 1814830391 ZMMVDNKREXBHQT-NRFANRHFSA-N 456.974 5.146 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1815247696 OMZPSGOXAOLLBB-SJLPKXTDSA-N 499.862 5.086 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815657043 VVSBUTRLQYNAOB-JOCHJYFZSA-N 476.602 5.427 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccnc(C(C)(C)C)c3)n[nH]2)c1 1816107217 NTGZYNVGARJOPZ-MBSDFSHPSA-N 484.604 5.349 30 20 JKED Cc1nc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)ccc2s1 1818702061 OEHPFFMRVKXFCB-JOCHJYFZSA-N 484.585 5.014 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1ccc2scnc2c1 1819146854 LGLBQTXOHLLDJT-OAQYLSRUSA-N 489.988 5.030 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1819479491 XGHFUWGBJARODF-JBIOKXMTSA-N 499.546 5.234 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1819556200 ZLSRQTHRGWNAQF-HXUWFJFHSA-N 451.596 5.318 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C(F)(F)F)ccn3)n[nH]2)c1 1819861267 FXECADVSXRLIRJ-YCRPNKLZSA-N 496.493 5.070 30 20 JKED CSc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1O 1820195473 SIVYSIKTOLDFQH-FQEVSTJZSA-N 498.725 5.194 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)c21 1821277752 HVMMJMSCHUHQBX-JOCHJYFZSA-N 486.963 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821543334 QYTXVNUBKYTNSJ-HRAATJIYSA-N 465.985 5.619 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)n[nH]1 1821786271 HNRIEQABTGPWQW-OHEPNIRZSA-N 496.599 5.265 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1822392811 FUIARIPEHBGGLK-XMMPIXPASA-N 456.546 5.311 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c1 1823213530 XCCFNFARGYPTMJ-IVZQSRNASA-N 479.943 5.449 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)n[nH]2)c1 1823391990 NUWWJZRMGHYKKQ-FTRWYGJKSA-N 491.489 5.095 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)C1 1823696842 AYBDAWYGJOMQPZ-UPWIVDSGSA-N 460.540 5.305 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1823883706 XEIZDTPMHJRFMN-QFIPXVFZSA-N 477.571 5.198 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1824141286 YEHHLSALDCLOBT-SANMLTNESA-N 480.649 5.046 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc([C@@H](C)C#N)c3)sc2C1 1827696848 GMMBXEHOWWIWGB-QWSHPKPYSA-N 474.586 5.001 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)oc2ccccc12 1828127017 DDBOZONBDGJGHS-XMMPIXPASA-N 490.003 5.813 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)CC1 1828232299 LYAAZEJBQCTPPP-VPUSJEBWSA-N 459.634 5.545 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cccnc3n2)CC1)c1ccccc1 1828531610 NANKUXGDMFIPSR-XCZPVHLTSA-N 494.639 5.060 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2c1 1828582299 MSIVQPCKVWAOOC-WTYVLRPYSA-N 498.627 5.351 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)cc1 1828669105 VFGSJNVGUMGDHS-VWLOTQADSA-N 486.641 5.034 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828886444 NZUDYINWDHXLHE-LOSJGSFVSA-N 498.067 5.003 30 20 JKED Cn1ccc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)c21 1828906323 GMLNAXMNPVKSEV-AREMUKBSSA-N 491.752 5.463 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829646824 CITAISNLJKEKJE-QGZVFWFLSA-N 460.899 5.307 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1Cl 1829687952 NAROYSKYGDQILI-SFHVURJKSA-N 476.429 5.474 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830017482 XKJLDCAXCCGGCS-HHHXNRCGSA-N 457.618 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2noc(-c3ccccc3)n2)CC1 1830130938 LHJWNWZULVVDIS-RPBOFIJWSA-N 490.648 5.057 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c(Cl)c1 1830721548 IKJSDZFISPEJIP-HSZRJFAPSA-N 475.976 5.505 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1 1830784789 VNMWTIINVIDDTF-NRFANRHFSA-N 462.421 5.229 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1831447290 RBZHXTLZBKHSOW-GOSISDBHSA-N 476.461 5.289 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1)C(F)(F)F 1831451519 WQHPSNXSUVFQHF-QHCPKHFHSA-N 485.550 5.409 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1831860030 IPNLSAZJEOMUCC-AREMUKBSSA-N 462.659 5.788 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1832027785 BDUBHHJPHBDUIP-NDEPHWFRSA-N 496.655 5.452 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc(Br)c2C)CC1 1832029990 BXOYMTPNPBRCEX-QFIPXVFZSA-N 491.445 5.324 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)CC1 1832564009 VYCKVEAEYHMVTO-XMMPIXPASA-N 452.639 5.237 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc4ccccc4n3C)CC2)c1 1832629394 OYLSESUYXFMBKT-PZGXJGMVSA-N 496.655 5.281 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1832826846 DSKUOYJJQJKRCB-SANMLTNESA-N 492.063 5.414 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1832827709 XKJFUAIMFARLCU-DEOSSOPVSA-N 481.434 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4ccccc34)CC2)CC1 1838189093 GPJLBJVVZQDMGG-VWLOTQADSA-N 460.618 5.220 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 1838373969 WISGYIVMFCJHBH-HSZRJFAPSA-N 478.555 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)CC1 1838424373 BLEDPXDPOKGYOG-QFIPXVFZSA-N 454.655 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc3ccccc3c(Cl)c1OC)C2 1841319681 UJLMPAIQCXGFFC-UHFFFAOYSA-N 452.982 5.087 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1cccc(C#N)c1 8988788 BCAHICKHNQRKLK-OAHLLOKOSA-N 451.983 5.705 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nnc(-c3ccc(Br)o3)o2)cc1 9072841 IQUPJNVJRVTOPP-UHFFFAOYSA-N 496.342 5.613 30 20 JKED Cc1ccc(-c2csc3nc(S[C@@H](C)C(=O)Nc4ccccc4C#N)n(C)c(=O)c23)cc1C 9964980 PEAAVVVRGXBPDS-INIZCTEOSA-N 474.611 5.270 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(C)c2)c1C 10178953 CIZKVIMYSMYILZ-UHFFFAOYSA-O 499.056 5.725 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(OCc4ccccc4)cc3)NC2=O)cc1Cl 15231823 RSDPYVPCSWTSMJ-QFIPXVFZSA-N 495.988 5.176 30 20 JKED Cc1sc2nc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n(C(C)C)c(=O)c2c1C 16798372 MTNAHIXNVQYZKG-CYBMUJFWSA-N 461.012 5.300 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 21970661 CYNCQVBHMWIOHB-UHFFFAOYSA-N 471.772 5.961 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCc3sccc3C2)nc2scc(-c3ccccc3)c2c1=O 23404441 SCPWZOVRWOJNTG-INIZCTEOSA-N 493.679 5.438 30 20 JKED COc1ccc(-n2c(SC[C@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCCCC4)cc1 24086170 UBUKISYNKAGFTF-INIZCTEOSA-N 464.616 5.260 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4cccc[n+]4[O-])c3C#N)C(C)(C)C2)o1 26093373 FTTIPGISJGVTJP-CSKARUKUSA-N 477.611 5.664 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C#N 27027513 SNMSPVLUCPPFTI-UHFFFAOYSA-N 468.626 5.100 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 28777974 NSRKNQXGGNWJBK-UHFFFAOYSA-O 475.678 6.629 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 33016439 ICPYMDRPTDGTPA-UHFFFAOYSA-N 489.601 5.114 30 20 JKED COc1cc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)ccc1OCc1ccc(F)cc1 35111834 GMQUQWJXXZPTHI-KGENOOAVSA-N 457.457 5.156 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(-c2ccc(CC)cc2)no1 57849736 JLUWOJJMXVUENF-UHFFFAOYSA-N 451.527 5.087 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 71844559 BTLHHOYGRXFAEC-XUZZJYLKSA-N 474.630 5.465 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ncn(Cc4cccc(Br)c4)n3)c2)cc1 112532425 QCJFTHRQDQAJIG-UHFFFAOYSA-N 474.318 5.005 30 20 JKED Cc1nc(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)sc1SCC#N 195647946 AGMHGNCGHNZQMR-LBPRGKRZSA-N 465.025 5.636 30 20 JKED COc1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)ccc1S(C)(=O)=O 212061836 DEBYNORDZWNQQS-OWBHPGMISA-N 498.560 5.594 30 20 JKED CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 303230967 XTKMZMPTPZTPEO-PXNSSMCTSA-N 453.970 5.014 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 410145820 PHTKILDEMGZQMN-UHFFFAOYSA-N 489.347 6.030 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)c(F)c1 482068309 PDHCKBHDVZYQJM-UHFFFAOYSA-N 472.501 5.824 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 482762760 SZVUVVUXWXCVII-UHFFFAOYSA-N 497.502 5.461 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)CSc1ccc(C#N)cc1 484866891 SXUCZJIOFZVFNV-UHFFFAOYSA-N 452.601 5.348 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 485711994 XLNHOGMBJISMNO-MRXNPFEDSA-N 467.447 5.527 30 20 JKED C=CCc1cc(C(=O)N2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC 490116202 BSQAKNRWSFKBNL-UHFFFAOYSA-N 476.539 5.188 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(COc4ccc5ccccc5c4)o3)CC2)c1 501703274 WDPMQZMEZRQVBR-UHFFFAOYSA-N 479.536 5.374 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1C 502335605 WQKVBIZMQLVVHA-UHFFFAOYSA-N 469.570 5.647 30 20 JKED N#Cc1c(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)sc2c1CCCC2 503228429 FKCVKTJKESFMCF-WVFSVQOHSA-N 469.557 5.189 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3c(F)cccc3Oc3ccccc3)CC2)c1 504176493 GPXVNJHTGQTSSV-UHFFFAOYSA-N 458.493 5.372 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 507783273 BHQXLMAABYUCEZ-UHFFFAOYSA-N 472.545 5.065 30 20 JKED CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)[C@H](C)c1ccc(C#N)cc1 509595232 ZWAOZCJIVVQELY-QGZVFWFLSA-N 467.978 5.236 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 509722740 UJBOVCOQVUWNSS-AWEZNQCLSA-N 450.391 5.346 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC(F)F 510046871 ZMKGWVXYLQKDCV-HXUWFJFHSA-N 485.918 6.269 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 512307576 DDMBPHWQWVXMLG-UHFFFAOYSA-N 482.334 5.269 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccccc1F 514486792 FTQWXDMSLMEIGK-OAHLLOKOSA-N 481.622 5.449 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1 514967708 PXYKTYUDGVXNEO-HXUWFJFHSA-N 477.392 5.084 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)s2)cc1 515935961 ZTPQSABKSWHGRO-UHFFFAOYSA-N 497.403 5.107 30 20 JKED COc1ccc(Cl)cc1CN(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516059440 JBNIRVFGODBGSD-OAQYLSRUSA-N 482.367 5.255 30 20 JKED Cc1nnc(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1Cc1ccccc1 516507251 NWYXOZWWNCUADO-UHFFFAOYSA-N 483.597 5.011 30 20 JKED N#CCCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 517802980 HIDRWDSONYZGQE-UHFFFAOYSA-N 479.876 5.372 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccc2c1 517836613 PVCMSGNJXSDIOP-UHFFFAOYSA-N 479.536 5.418 30 20 JKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(OC)cc2)cc1 520196113 XTLPLZXNDSCMJL-CLOONOSVSA-N 475.614 6.204 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1 520363402 IKBVFGUVFKUTEM-UHFFFAOYSA-N 498.652 5.570 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 520826355 OUJOACWVBOKCAE-CQSZACIVSA-N 458.008 6.188 30 20 JKED CC(C)CNC(=O)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Cl 523273545 PBBUTUYEGHDQFU-UHFFFAOYSA-N 451.910 5.022 30 20 JKED Cc1ccc(-c2csc3ncnc(N4CCC(C(=O)Nc5cccc(C#N)c5)CC4)c23)cc1 523352171 OVJCIGZGRANGJZ-UHFFFAOYSA-N 453.571 5.394 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)c1 523380633 ULTVMSBTPIWWDW-UIUQJESISA-N 481.596 5.934 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 523608993 NEIOIZSGJLAMSF-UHFFFAOYSA-N 493.361 5.572 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)c(C)c1[N+](=O)[O-] 524455279 NBTCQORATIVUHD-UHFFFAOYSA-N 499.502 5.299 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 553319625 UOCBIQNXSRZAGD-AWEZNQCLSA-N 486.519 5.581 30 20 JKED Cc1cccc(-n2c(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)nnc2-c2ccccc2)c1 553340840 ZVEBOGLUDKUCLT-HXUWFJFHSA-N 499.665 6.225 30 20 JKED C=CCN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 564662035 LTMUYDMSLRXWJO-OALUTQOASA-N 473.019 5.190 30 20 JKED C=CCn1c(SC[C@H](O)COc2cccc(C(C)=O)c2)nc2sc(-c3ccccc3)cc2c1=O 588380762 XOALZFBJGADBTK-HXUWFJFHSA-N 492.622 5.046 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3nc(C)c(SCC#N)s3)c2)cc1 589312097 KJLOPPXRFVHYGV-UHFFFAOYSA-N 465.600 5.420 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C2CC2)ccc1OC(F)F 603691999 NLJJYPOIZKKTRH-UHFFFAOYSA-N 480.471 5.552 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 603706263 TYXPYQTWWHZEHH-OYHNWAKOSA-N 451.979 5.631 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@@H]2CCCC[C@@H]21 603764882 PSCZJZFDJJTKHX-OPXMRZJTSA-N 496.567 5.166 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cc2)cs1 603897461 KDJCLKFUBRONGG-UHFFFAOYSA-N 463.506 5.809 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 604003149 GDUUNQAECRFMMM-HXUWFJFHSA-N 494.517 5.601 30 20 JKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(OCc2ccccn2)c1 608804999 RBPUVTBZPVOINP-LJQANCHMSA-N 453.498 5.195 30 20 JKED C=CCN(C(=O)C1CCN(Cc2ccccc2)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 608931737 UGOVXDABPVDNBA-UHFFFAOYSA-N 462.575 5.150 30 20 JKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(OCc2ccccc2)cc1 609028230 PRYFMGFDOGFWPR-XMMPIXPASA-N 471.944 5.888 30 20 JKED Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609056057 DWPCMKWNAAHNFL-UHFFFAOYSA-N 467.529 5.276 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2Cl)c1 609072916 MSJVRKDVDLKXRC-UHFFFAOYSA-N 463.896 5.287 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3SCc3ccco3)cc2F)c1 609103973 LUUANEZHKFLRTG-UHFFFAOYSA-N 458.514 6.414 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 609402688 JXRNJUJMHFQXAV-HXUWFJFHSA-N 472.408 5.051 30 20 JKED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434379 AHARQUCGOPQGPJ-QFIPXVFZSA-N 470.573 5.105 30 20 JKED C=CCn1c(SCC(=O)N(C)c2nccs2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 613853549 NVHLTLZRPRNLIQ-MRXNPFEDSA-N 487.720 5.555 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1OCC 619760431 AGJDLEJJHGMJMV-OAQYLSRUSA-N 490.829 5.679 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 725736644 SNUMPENCACBFLY-NRFANRHFSA-N 465.619 5.227 30 20 JKED CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)ccc1OCC(F)(F)F 725904190 GICQGMMXDMVCHR-ZDLGFXPLSA-N 464.490 5.304 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1 729144623 WCCUUAXNVYUWLT-LJQANCHMSA-N 468.579 5.060 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)c(F)c1 729819067 UPYJYDOCFYBUOU-JOCHJYFZSA-N 494.498 5.136 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731310753 OZUKHTSKSGHDJF-IBGZPJMESA-N 496.416 5.086 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N([C@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731310836 RAVSAGYPOKZZTG-XZOQPEGZSA-N 493.535 5.318 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1ccco1)c1cccs1 731313321 XZHUDBLQTUJRHN-PDHZVPOHSA-N 483.615 5.068 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cccc(Cl)c2Cl)C1=O 745584020 LCIRKRVGNKCHIW-HNNXBMFYSA-N 474.772 5.054 30 20 JKED Cc1ccc(-c2nnc([C@H](C)OC(=O)[C@@H](C)Sc3cc(C)c(C#N)c4nc5ccccc5n34)o2)cc1 746085783 PROTXSSUBLORIU-ZWKOTPCHSA-N 497.580 5.811 30 20 JKED C=CCN1C(=O)N[C@H](c2ccc(SC)c(OC)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 746512317 OTBDRJNWMOLKDO-OAQYLSRUSA-N 491.535 5.601 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c1 747598508 BYMKUGPRDJYGSC-QFIPXVFZSA-N 492.670 5.580 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c1 747601769 HEFNYBMZUQXSEZ-FQEVSTJZSA-N 482.606 5.048 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CCC(=O)Nc3c(C(C)C)cccc3C(C)C)cnc21 813861332 QWWRLBIBZZHEKF-UHFFFAOYSA-N 456.637 5.451 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1c(Cl)ccc(Cl)c1Cl 818280627 ZMFQKXHRDIBHOG-UHFFFAOYSA-N 457.770 5.387 30 20 JKED COc1ccc(-c2nc(SCc3ncc(-c4cccc(Cl)c4)o3)nc(O)c2C#N)cc1 824959594 JZSGSFJQNSDEFD-UHFFFAOYSA-N 450.907 5.330 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 837440480 XUPAVFFIOOZTNM-UZUQRXQVSA-N 494.567 5.698 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837545529 BEWSCFAHYIOZFU-FDDCHVKYSA-N 474.586 5.202 30 20 JKED CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1 904693147 SFUJZRJBCIPNGM-SFHVURJKSA-N 482.924 5.362 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(NC(C)=O)c1 913120933 RVIWYNZNPRPOBN-OAQYLSRUSA-N 488.560 5.074 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(SC(F)F)cc2)c1 914537892 GJFIRVDVOCJKQW-LJQANCHMSA-N 475.586 5.110 30 20 JKED CCOc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1 914545239 GLXJPPNFRNCGIN-QFIPXVFZSA-N 492.576 5.088 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)Cc2cccs2)cc1 914693935 AHGKXWHMFANBNY-JPYJTQIMSA-N 493.654 5.026 30 20 JKED CCOc1c(Br)cc(Br)cc1C=NNCc1cccc2cccnc12 915963336 SMKIRIQEDASFKW-UHFFFAOYSA-N 463.173 5.282 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccccn2)C1=O)Nc1ccc2ccccc2c1 916210294 ZUMCVDWYBAUTLQ-VWLOTQADSA-N 498.583 5.577 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C[C@@H]3CCCO3)C2=O)cc1 916217484 ODGQUXIVAADOBC-VQTJNVASSA-N 491.535 5.153 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1F 916217812 WZGYOYVCOCUXGN-WZONZLPQSA-N 495.551 5.257 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Cl 916683627 AKVSIWMLVCZANG-AREMUKBSSA-N 489.019 5.526 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@H](C#N)c1ccc2ccccc2n1 916849672 XQOOSCPGBAGGIA-QFBILLFUSA-N 496.617 6.110 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 916903008 MNYDWWQUGNQDGT-LJQANCHMSA-N 475.932 5.179 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC 916903775 STDMJDIOGUPZIA-QFIPXVFZSA-N 465.557 5.204 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OCC(F)(F)F)cc1 916911020 UTAVWRBOZKFKCT-IBGZPJMESA-N 454.404 5.381 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)nc(O)c2c1C 916915752 ILLJCTKEPMGMRS-CRAIPNDOSA-N 490.610 5.136 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1Cl 916938306 LXYXFAPUWGJDKH-KRWDZBQOSA-N 495.322 5.409 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1 916947863 BYKSUVQXQQHGBE-HOKHCIIBSA-N 459.590 5.017 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nnc(C)n3Cc3ccccc3)n2)cc1 916973051 SKWGNFQVAVKNQJ-FQEVSTJZSA-N 459.600 5.035 30 20 JKED COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916994994 AFKOLUPTYZZXIT-SFHVURJKSA-N 461.370 6.161 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2F)C[C@H](C)O1 917250757 HZSBFFJMDGUQLX-OALUTQOASA-N 475.589 5.856 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 917426926 QPTGRJGBOVLQCD-LEEZEASISA-N 460.578 5.100 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 917636776 TVWGAMLCVGBXET-HXUWFJFHSA-N 485.487 5.746 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(C3CCCC3)C2=O)cc1 917704183 GRAYALKIVZCSBK-HSZRJFAPSA-N 476.602 5.250 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC2CCC2)C1=O 917704747 YKKVQVKBRJFTCT-NRFANRHFSA-N 466.994 5.281 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 918711063 CGVWRRONNIBJJY-UHFFFAOYSA-N 493.492 5.048 30 20 JKED COc1cc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)ccc1OC(F)F 918712147 HNWDFOFALAURPT-YVMONPNESA-N 451.878 5.882 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1C 918880851 MSWSRJZBPPXASD-UHFFFAOYSA-N 499.398 5.267 30 20 JKED C=CCN(C(=O)COC(=O)c1cccc(CC#N)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919318625 ZOWQPEBEYFRQSG-UHFFFAOYSA-N 486.380 5.559 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 920103788 CBSBLXYXTQXZAX-LJQANCHMSA-N 453.546 5.367 30 20 JKED Cc1ccccc1-n1ccnc1SCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806441 LHJGWWAORLNXAH-HNNXBMFYSA-N 466.538 5.551 30 20 JKED COc1cc(/C=C2\Cc3c(F)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 921264271 PTIOHGIHJDJEMD-LFIBNONCSA-N 451.881 5.328 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CC[C@@H]4CNc5ccccc5C4)CCC3)cc2)cc1 1785880698 OSBWKHBOSUDYBS-DEOSSOPVSA-N 492.623 5.299 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccs4)on3)CCC2)cc1 1786393698 HJPMXGCCLSBPDB-HXUWFJFHSA-N 455.605 5.105 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncoc5c4)cc3)CCC2)c1 1789079328 OCQACGRXMMNUMF-GOSISDBHSA-N 464.525 5.516 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/Sc3ccc(C)cc3)cc2)CCC1 1789489915 DTPXVHSALJUCFP-GJPUVDBCSA-N 450.604 5.326 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)cc2)CCC1 1790562420 GFYCKJQLTQZCCY-VGOFMYFVSA-N 487.600 5.307 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CCC2)cc1 1790564262 UTZQJXANLJBQES-HBGVWJBISA-N 469.532 5.003 30 20 JKED Cc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1 1790745728 WMGMOYSYNNORTG-UHFFFAOYSA-N 489.373 5.086 30 20 JKED COc1cc(C)c(C(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)cc1OCc1ccccc1 1790772595 VGBMONVCWWSIJU-UHFFFAOYSA-N 483.568 5.244 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790837435 SJAVBTVLCPAZKQ-UHFFFAOYSA-N 466.006 5.555 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c(C)n1 1791771664 FLDMGQUTEJBEID-UHFFFAOYSA-N 487.003 5.604 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123947 VBDNGTKDGJAXRB-SFHVURJKSA-N 493.563 6.135 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)CCC2)cc1 1792265335 MKSOPOGZSBQUDN-UHFFFAOYSA-N 498.480 5.191 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Cl)ccc1Br 1801590881 ABSKRRMGFXSYQI-IYWMVGAKSA-N 479.846 5.052 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)[C@@H]2c2cccnc2)C1 1802417451 MGMOVSBZSWMDDG-HFZDXXHNSA-N 480.568 5.109 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2cccc(C(F)(F)F)c2)C3)c1 1803677944 PBDIDNYFWSWMSN-UYCSHIEESA-N 481.518 5.298 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)nc4ccccc24)C3)c1 1803678792 IETMJJNLUIAJPL-DVWBAYGPSA-N 472.976 5.081 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3CCN(c4ccccc4)CC3)C2)CC1 1805434911 ZBACPNNAQCFNHJ-UHFFFAOYSA-N 465.682 5.127 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c(Cl)cncc3Cl)CC2)C1 1805451379 HFNNMEPJLGKGSL-UHFFFAOYSA-N 450.410 5.002 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1806449107 CKHZUPJNDSTPOQ-CJBSCAABSA-N 494.639 5.411 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC3(CCCN(C(=O)Cc4ccc5ccccc5c4)C3)CC2)cc1 1809123538 LWZOFSKMVIXLMQ-UHFFFAOYSA-N 479.624 5.118 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3sc4ccccc4c3Cl)[C@H]2c2cccnc2)C1 1809208771 CKHXMWMBGPRDCN-HTAPYJJXSA-N 466.006 5.236 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1810171712 FNKXKTOKFOVALY-QQJNOOCOSA-N 467.613 5.252 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CC1 1810276085 DHYKHMZSKBZBLI-JTOATPROSA-N 481.757 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1810501201 HTGBHAKVZHLQFT-JTSKRJEESA-N 492.422 5.840 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1811106300 ZFMPGHQCAZVKSA-MBOZVWFJSA-N 478.445 5.538 30 20 JKED Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c1Cl 1811752700 SASVNBDVPQWTSO-DVECYGJZSA-N 493.394 5.202 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1)c1ccccc1 1813565947 UCWRIGMUCGGDAJ-ZRVVDMLDSA-N 483.656 5.255 30 20 JKED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814149300 UBACACGSMUPAJY-RIACCQAKSA-N 481.706 5.379 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 1814361583 XCZPKRICKDYCPL-NRFANRHFSA-N 461.566 5.363 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814377940 XBHAZQQFFRGZOU-CYFREDJKSA-N 487.629 5.087 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1815247699 OSBMIHAMBXVVBB-FUHWJXTLSA-N 473.401 5.116 30 20 JKED C=CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)sc2C1 1816045340 OTJQWZUJHGSTGN-INIZCTEOSA-N 486.519 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(OC)cc3[nH]2)n[nH]1 1818579837 MDIYIJRTPCJRRS-JOCHJYFZSA-N 463.582 5.198 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1819309035 KQZAZRUYNPQHHE-IIBYNOLFSA-N 465.985 5.619 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)[nH]n1 1819310233 UQDLAJXZOZINFL-CTNGQTDRSA-N 489.542 5.217 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)[nH]n1)c1ccccc1 1819519646 WWXRUNADVFCAGH-ICSRJNTNSA-N 464.953 5.159 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(Cl)c3)n[nH]2)c1 1820502271 FFGFOSIATLGIQA-KSFYIVLOSA-N 461.953 5.310 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c1 1820908181 MJECBNJQMWOJCE-YXYLUEIESA-N 459.594 5.479 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)cc1C#N 1820909439 YHHSDAHRNBNODP-PSVMIJIFSA-N 489.620 5.511 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)c(OC)c(C)c2)n[nH]1 1821229651 PSFDRIFNJMUIQQ-IRLDBZIGSA-N 450.583 5.109 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)ccc1Br 1821241297 PAUZGPUVTDIDNI-NRFANRHFSA-N 498.425 5.320 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c(Cl)c1 1821280043 NRUICFKLKCCVKA-OAQYLSRUSA-N 498.370 5.216 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1F 1821280476 URSFVXIVJPELKE-NRFANRHFSA-N 483.906 5.141 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1821920541 LWOZPCMYMBAXGT-CYFREDJKSA-N 457.578 5.298 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1821921590 UYYUKAKKXCWMFH-XXBNENTESA-N 457.578 5.298 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCc3ccccc3F)[nH]n2)c1 1823210300 BVVNEWJWDVVPOZ-KBMIEXCESA-N 487.579 5.505 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)[nH]n1 1823421246 SWJJTEJGOBQPDW-XMMPIXPASA-N 472.614 5.421 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2)CC1 1823625575 FQUKDSCUVXUVKV-QFIPXVFZSA-N 474.121 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)CC1 1823669848 GWKYCOMIZYMRBX-NQIIRXRSSA-N 464.437 5.390 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c1 1824053701 BDGZXULUQJPEJW-AREMUKBSSA-N 469.585 5.171 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)s1 1824542473 XOMUQMSLJDREDI-SIKLNZKXSA-N 465.729 5.064 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)CC1 1826001180 YEZXYUCRRUQBLR-FQEVSTJZSA-N 465.560 5.326 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)sc2c1 1826202026 DRXWEQBRSUUVEJ-QHCPKHFHSA-N 472.614 5.024 30 20 JKED CC(C)c1nn2ccccc2c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1827381417 FOIQERQHVCATAA-VWLOTQADSA-N 497.643 5.071 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827875535 LCIZMPKQJWQRKG-QHCPKHFHSA-N 467.560 5.193 30 20 JKED CC(C)(C)c1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cn1 1827988804 CMBOHILLCKMMEI-DEOSSOPVSA-N 496.772 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)CC1 1828831017 SXSYAEIFGPSARK-PKTNWEFCSA-N 479.709 5.458 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 1829068597 GTAFNPUTILYUQV-VWLOTQADSA-N 462.638 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1829069641 ANPYTPKGHZDIQH-PKTZIBPZSA-N 491.717 5.292 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1830150741 SYFWTNFKTVZXBP-DEOSSOPVSA-N 483.056 5.147 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C)CC1 1830359681 ZFWRWVQYPCHKQC-JWQCQUIFSA-N 497.680 5.088 30 20 JKED CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830362725 CUPOTBFUTVSGHU-BDYUSTAISA-N 475.608 5.053 30 20 JKED CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1830717733 NDSARVQCOVTTPM-JYFHCDHNSA-N 461.581 5.124 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832628626 YXTPZJQUCZAFFU-WMZHIEFXSA-N 479.646 5.321 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699868 PHJFTJRDEPAQHQ-HHHXNRCGSA-N 488.628 5.096 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cccc1C(F)(F)F 1832700240 QILRMNKHSQVHQA-VWLOTQADSA-N 497.561 5.362 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)cc1C#N 1832703117 BATLTPZNLQFIIJ-DEOSSOPVSA-N 483.628 5.251 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1)C(F)(F)F 1832705320 ZYAIJYKWUAMACY-IBGZPJMESA-N 476.461 5.366 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)CC1 1838571385 CAIIRENAVHGONK-JOCHJYFZSA-N 476.617 5.303 30 20 JKED Cc1ccc2cc(C(=O)N3CC4(CCCN4C(=O)CCCC#C[Si](C)(C)C)C3)sc2c1 1844253592 ZJXNIGKJCVHDPI-UHFFFAOYSA-N 452.696 5.078 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC2(CCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 1845340908 YRALGXUDUHDFAB-UHFFFAOYSA-N 492.366 5.133 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174082 SOHOCWGZVODCPW-UHFFFAOYSA-O 479.931 6.139 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1ccc(Cl)cc1 10240377 FVDVIVVUDUSSNN-UHFFFAOYSA-N 466.966 5.830 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n1 10686459 UNKBKBCXTWJGPF-UHFFFAOYSA-N 454.783 5.079 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2scc(-c3cccs3)c2c1=O 11382457 KCPOJLWKHLJURX-CYBMUJFWSA-N 498.611 5.400 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3SCC#N)s2)cc1Cl 16325484 QSSRNWHNIIGCLN-UHFFFAOYSA-N 462.025 5.590 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Br)cc1 16832724 WWHJILWXHTZOFN-INIZCTEOSA-N 471.424 5.630 30 20 JKED C=CCN(C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)c1nc2c(s1)CCCC2 16962522 ATEJJNOVYQULRA-UHFFFAOYSA-N 464.587 5.451 30 20 JKED C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 17724515 NOVVSAMNNYWGLD-FQEVSTJZSA-N 479.652 5.485 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1OC 21456197 MSDHFEKRBBLTFR-HSZRJFAPSA-N 474.561 5.751 30 20 JKED CC(C)c1ccc(CSc2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)s2)cc1 22532606 FCDMNSQTZKZCDR-HNNXBMFYSA-N 454.646 5.945 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(=O)c2c(-c3ccco3)csc2[nH]1 26037223 FASBGXARBPVYGK-UHFFFAOYSA-N 495.561 5.033 30 20 JKED Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)ccc2C)c(C)c1 26110353 QZLWXCLLQNIDIW-FQEVSTJZSA-N 461.587 5.084 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 29255876 PQCIHCXFAPFSGO-UHFFFAOYSA-N 496.080 5.073 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)C)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 29810891 OJGIRZLICGYXMO-GOSISDBHSA-N 457.603 5.224 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)nnc1-c1ccccc1 39221656 TZNOKEAMUWKACF-UHFFFAOYSA-N 493.614 5.003 30 20 JKED Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3C#N)cc2)c(Br)c1 60036187 BHADVFGJDZPQHT-INIZCTEOSA-N 450.336 5.861 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2cccs2)cc1 72089897 PHSLQQKPIJIXLC-BXKMTCNYSA-N 455.587 5.421 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCCC)CC(F)(F)F)c1 106179920 FBESRBJOWBFJJY-UHFFFAOYSA-N 488.959 5.526 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 108471995 VEIWWVMVAUCQBF-UHFFFAOYSA-N 463.497 5.950 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(OCCCC#N)c3)c2)c1 108596252 PBIHLJUVYLAGNQ-UHFFFAOYSA-N 463.559 5.039 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 195727828 GDMKPGUWRIDXDK-INIZCTEOSA-N 466.349 6.231 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)ccc1OC(F)F 208897616 GYLPHOLMGUFQSJ-ALCCZGGFSA-N 480.439 5.612 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 252506439 SXAFCKCNEVUMGM-QFIPXVFZSA-N 492.988 5.087 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2cccnc2)ccc1Cl 303060561 LQIVWPIJNXVVBQ-KRWDZBQOSA-N 487.984 5.089 30 20 JKED C=CCN(C(=O)CSc1ccc(NC(C)=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476159367 NSGMHWJDKSQUFU-UHFFFAOYSA-N 492.453 6.387 30 20 JKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)o1 480895834 LUYXWVFHOZYOOD-SBUREZEXSA-N 487.531 5.122 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3cnc(C)o3)cc2)nnc1-c1ccc(Cl)cc1 498416062 VTPYJKCPFBGESE-UHFFFAOYSA-N 465.966 5.479 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3sc4c(c3C#N)CCCC4)oc3ccccc23)s1 499331568 YNEXTSKCLVSZHZ-UHFFFAOYSA-N 466.613 5.949 30 20 JKED N#CCCN(Cc1ccco1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 502570273 OHDUWFCQUAAVKQ-XDJHFCHBSA-N 472.526 5.671 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nc2ccccc21 503222103 WMQWCRDGZWCSJC-MRXNPFEDSA-N 462.600 5.655 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)nnc1-c1ccccc1F 503717964 RDJJTIYUGCMAOL-UHFFFAOYSA-N 462.550 5.184 30 20 JKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1F 504790436 STAOQXDLOYGSFP-UHFFFAOYSA-N 470.772 5.405 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510222244 JUNRNCMEWISGJV-IBGZPJMESA-N 451.577 5.080 30 20 JKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511340382 XSYGOXNWTKLMOH-UHFFFAOYSA-N 459.546 5.403 30 20 JKED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513864068 PPFAQCZKNVADGS-UHFFFAOYSA-N 458.537 5.378 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccn2)C(C)C)nnc1-c1ccc(Cl)cc1Cl 515627404 GJHRWNWYGHLTRB-UHFFFAOYSA-N 476.433 5.362 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515651259 AHXBTRHGVHFVJH-KRWDZBQOSA-N 481.415 6.213 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)cc2Cl)cc1 516002398 ANOPDOBWMJBOLC-UHFFFAOYSA-N 490.972 5.774 30 20 JKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516058898 YPOZKJDTJJOWRD-RUZDIDTESA-N 467.956 5.746 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(N2CCCC2=O)c1 519972703 DHCAVAHZCAMKBN-HOYKHHGWSA-N 472.976 6.005 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 520814929 RHZBWTFVMYFEHH-IBGZPJMESA-N 485.638 5.917 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1 520877745 VKAZIFZQATWERG-UHFFFAOYSA-N 491.454 5.102 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 521198695 VQFGFHBLXGXETR-UHFFFAOYSA-N 489.041 5.076 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 521714705 MVZKYWYWIMWJIW-UHFFFAOYSA-N 492.938 5.832 30 20 JKED CN(C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1ccc(F)c(F)c1 522717992 OXJKVEYFRJZPKS-UHFFFAOYSA-N 484.734 5.513 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1Cl 522974119 PXZXRVVUJSFBBN-SLXFGWRHSA-N 464.009 5.799 30 20 JKED C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nc2scc(-c3ccccc3)c2c1=O 549397892 OXANGYVHSVPQDG-UHFFFAOYSA-N 469.538 5.320 30 20 JKED Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2cnn(Cc3cccs3)c2n1 603622796 FZFXNIRGQVONJT-UHFFFAOYSA-N 466.526 5.161 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1Cl 603765969 GSGXXHOYAJMQKR-QHCPKHFHSA-N 473.985 6.522 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 603829016 OCWSLVGGAFEFJK-NRFANRHFSA-N 486.963 5.087 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603921214 PSNXSTKMUGYERP-UHFFFAOYSA-N 489.579 5.716 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)sc2c1CCCCCC2 603996714 SHIVGYPVVQBBGY-UHFFFAOYSA-N 462.472 5.875 30 20 JKED Cc1cc(I)ccc1NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1 604007176 UDQZWMFTNROTJV-UHFFFAOYSA-N 497.336 5.101 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1cccc(C(F)(F)F)c1 608923869 PKWOXMSXDQLGPI-FQEVSTJZSA-N 461.484 5.230 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(F)cc1 609079544 CEBJEEPCEVUWPB-DEOSSOPVSA-N 489.938 5.574 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 609080685 LVUOEKJRVBKKLE-FQEVSTJZSA-N 458.537 5.500 30 20 JKED Cc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1I 609104741 MMSZZTBCTCJCNJ-UHFFFAOYSA-N 486.284 5.442 30 20 JKED CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609164179 ICZUPSITQPOPPP-ZEQKJWHPSA-N 470.960 5.163 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OCc3ccncc3)cc2)cc1 609209403 RWAVWBZULWMDLJ-UHFFFAOYSA-N 466.516 5.906 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)CC1(CC(=O)Nc2cc(C#N)ccc2OCC)CCCC1 609228507 WUWHSHPHILCZIY-UHFFFAOYSA-N 474.561 5.145 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1nnn(-c2ccccc2F)c1C(F)(F)F 624832187 DKGBRVSAUVVZRP-UHFFFAOYSA-N 456.424 5.139 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281954 VTDWKOXMGQBIIJ-QUCCMNQESA-N 451.935 5.071 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(F)cc1C(F)(F)F)c1cccs1 726417185 ZDXMEGHOSMBODZ-KPTNJIFISA-N 499.555 5.136 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C[C@@H]1CCCO1)c1cccs1 726422356 WLNFXVSLHFLKPO-URWWGRSYSA-N 493.654 5.470 30 20 JKED COc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)c1cccc(F)c1 726462093 DALGCRRSFQAPSB-UHFFFAOYSA-N 454.914 5.421 30 20 JKED Cc1ccc(C(=O)Nc2ccc(OC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)cc1 726959068 FYVPQEFHSIIDIN-UHFFFAOYSA-N 496.523 5.189 30 20 JKED N#CCOc1ccc(CNC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)cc1 727677553 FNHXQZVNITUQCP-KNTRCKAVSA-N 451.551 5.615 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccc(C#N)cc3F)C2=O)cc1 729818662 CGGTUBXQMWAXRP-HSZRJFAPSA-N 490.535 5.305 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2c(C)noc2C)c1 730444535 NJKFQLIDZVCLNN-XMMPIXPASA-N 490.629 5.420 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 730444997 RUXZWVYVUOOYBN-JOCHJYFZSA-N 497.020 5.456 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N([C@H](c2ccccc2)C2CCC2)C1=O)Nc1cnccn1 730709278 QTLALHXNMZTUOH-ZJSXRUAMSA-N 489.576 5.117 30 20 JKED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 746346293 OUBPOLBUDVSGTH-RMKNXTFCSA-N 458.312 5.908 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)c1 746696505 OJNQQKZMNDOBHE-QFIPXVFZSA-N 483.634 5.087 30 20 JKED COc1cc(/C=C2/Cc3c(O)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 810249183 PIAYVINFUQIKAV-WJDWOHSUSA-N 483.442 5.260 30 20 JKED C=CCOC(=O)c1sc2[nH]c(Cc3nc(-c4ccc(Cl)cc4)cs3)nc(=O)c2c1C 824062645 QZTQSVQLJRDDQS-UHFFFAOYSA-N 457.964 5.004 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1ccccn1 838191976 PPWJUABNAJZRCO-GAJHUEQPSA-N 476.577 5.505 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3c(C)cc(C)cc3Cl)nc(O)c2C#N)cc1 857992191 UJMMOIVGJHSSNQ-CQSZACIVSA-N 468.966 5.119 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 900282994 WVJZMISQJTXVTD-UHFFFAOYSA-N 475.551 5.481 30 20 JKED N#CCSc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 912642760 DKYSEVAIDQPQIJ-UHFFFAOYSA-N 455.461 5.826 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)cc1 914773114 XSCAYWNBRAXMRQ-QHCPKHFHSA-N 495.551 5.272 30 20 JKED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)c1ccc(-c2ccccc2Cl)s1 915114028 ZQJNMKBYJFMZBG-PSKZRQQASA-N 481.426 5.483 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)oc12 915743312 FORNNBMXGYJBDH-JPYJTQIMSA-N 467.525 5.303 30 20 JKED CCCN1C/C(=C\c2csc(-c3ccccn3)n2)C(=O)/C(=C/c2csc(-c3ccccn3)n2)C1 915982711 YQTXIJDTWHAGHG-KLCVKJMQSA-N 485.638 5.485 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc(Cl)c1O 916127859 LXOLBGFLRLJRCZ-MDWZMJQESA-N 451.906 5.358 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(C2CCCC2)C1=O 916210146 BMEZQFOANOTUEI-QFIPXVFZSA-N 451.592 5.215 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916907458 IEASHFOJENUKGT-OAQYLSRUSA-N 453.523 5.492 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1Cl 916907898 CNSAASKCHALPOX-VBROQKIQSA-N 460.761 5.738 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 916918952 SXOLAFIGVXPUBR-ICSRJNTNSA-N 494.378 5.346 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)COc1ccc(Cl)cc1C1CCCCC1 916924239 ABNSUIORDCMHKY-FQEVSTJZSA-N 454.954 5.513 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 916942822 QLQNFANDUWDJIU-CQSZACIVSA-N 486.149 5.124 30 20 JKED N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 916977465 RUBGJUNOWKQDMB-KRWDZBQOSA-N 452.004 6.662 30 20 JKED COc1ccc(C)cc1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916977789 YVXPDPVYRYPZPL-WMZOPIPTSA-N 465.962 5.010 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 917045316 XUXSJPQDKBIQMQ-OAHLLOKOSA-N 461.465 6.152 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cs1 917563242 NPNGFKQRXGYFDO-SSZFMOIBSA-N 488.996 6.956 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(C3CC3)C2=O)cc1 917652494 GWOLDMNJIJGSAX-HSZRJFAPSA-N 458.587 5.029 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N(C2CCN(C(C)(C)C)CC2)C1=O 917697830 QPEDUZZQYQVVJH-JOCHJYFZSA-N 486.726 5.264 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 917813018 RFMYUMKRLMXKAT-UHFFFAOYSA-N 482.154 6.410 30 20 JKED O=C(COC(=O)c1cc(F)c(F)c(F)c1F)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 919217769 VEYDINXSVROTOE-UHFFFAOYSA-N 478.364 5.048 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2OC)ccc1Cl 919867165 AMVINRJGULZIML-UHFFFAOYSA-N 491.396 5.636 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 920101521 CHCMEQDCGAWHPW-KRWDZBQOSA-N 488.897 5.352 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)c(F)c2)cc1 920358204 ZFMGLWPWNSDFGQ-QFIPXVFZSA-N 481.524 5.134 30 20 JKED C[C@@H](OC(=O)c1cnc(-c2ccccc2F)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 920701257 MMLYPPPFWCWWNT-CYBMUJFWSA-N 469.563 5.335 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Oc4ccccc4)cc3)CCC2)cc1 1786360230 HPFXAHHCRYEDES-OAQYLSRUSA-N 468.553 5.265 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ccccc4c3Br)CCC2)cc1 1787648758 KKYXAMHULYRFPS-UHFFFAOYSA-N 462.347 5.264 30 20 JKED Cc1cc(C)nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)c1 1788357404 MCIMSWPHGBCRNX-UHFFFAOYSA-N 493.489 5.045 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)[nH]c2c1 1788975826 LRRKSPRUQIGGLC-IBGZPJMESA-N 492.579 5.865 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)c1 1789014652 JWQZTGNVDCMEEB-HXUWFJFHSA-N 474.564 5.923 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCCOC4=O)cc3)CCC2)cc1 1789458380 YMGGKCCQEGZVQQ-RUZDIDTESA-N 487.600 5.549 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1789491237 AZCSGQFMFTWEQD-OAQYLSRUSA-N 465.981 5.142 30 20 JKED Cc1nc2sccn2c1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790084051 WTPGHQVDSLIUMO-UHFFFAOYSA-N 489.988 5.291 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(Cl)ccnc5c4)CCC3)cc2)c1 1790148481 XXEANCJYKMEMCS-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1)Oc1ccccc1 1790708263 DZRSIOGEDGIEGP-NRFANRHFSA-N 467.569 5.358 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](O)c4ccccc4Cl)CCC3)cc2)c1 1790795556 OOLAEVSXDVOEQU-XMMPIXPASA-N 473.960 5.001 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Br)cc4c3)cc2)CCC1 1790868019 UYHXWANRBHBDMU-UHFFFAOYSA-N 490.401 5.549 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)CCC2)cc1)C(F)(F)F 1791302670 FXDAUNDVFYWXRV-UHFFFAOYSA-N 463.406 5.312 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3OC)CCC2)cc1)c1ccc(O)cc1 1791646313 KSKGSANYUFBEEA-JOCHJYFZSA-N 497.595 5.049 30 20 JKED CCCCCc1cccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/C(=O)c2cccs2)c1 1796896343 YQXOTENLGHSEHK-HUBSCWNQSA-N 478.658 5.101 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(Br)cccc4c2)C3)cc1 1799665976 HTRPZLXVQNGCQF-KOUNCHBCSA-N 488.385 5.040 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C3)c(Cl)c1 1800690824 ZVGITNOARAGRFQ-MUJYYYPQSA-N 462.764 5.084 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)cc(C(C)C)c1)C2 1802630995 AAFAWKITNVJIDH-KOUNCHBCSA-N 459.428 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2F)[C@H]1c1cccnc1 1802712787 YIPSCOXLOALEGN-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1803561140 SQHNOHYLZCAKKZ-JYFHCDHNSA-N 457.659 5.067 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)c1 1803679716 VDXOKCZMWYWCPA-JTMVAAEOSA-N 478.596 5.250 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1804763203 ZHLBUITWALVPFI-UHFFFAOYSA-N 494.035 5.088 30 20 JKED Cc1ccc2cc(C(=O)N3CCC4(CCCN(C(=O)C#Cc5ccc(Cl)cc5)C4)CC3)ccc2n1 1805333137 BKAGMZLGJPGBEV-UHFFFAOYSA-N 486.015 5.093 30 20 JKED N#CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1806284381 QORWMSWDAUKCMF-OFVILXPXSA-N 498.549 5.381 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1810183176 SXXCADIVMQAYMI-JQYIIUTOSA-N 473.642 5.693 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1810772532 ZJQSIIOGFKSMFB-REWPJTCUSA-N 498.465 5.465 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1)c1ccccc1 1811673608 BBLXUFXAFAZVLZ-LOYHVIPDSA-N 485.587 5.115 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811786543 FYSMZDIYGABAKG-CMPZQBNXSA-N 464.368 5.059 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1812498713 HZIWQXYHQVQOAU-RDGATRHJSA-N 478.036 5.241 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1813968521 UBVALJBHRMUIHV-WMZHIEFXSA-N 489.513 5.328 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814379460 YVPRGFHFHKOXEY-VWLOTQADSA-N 499.615 5.397 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CCC(F)(F)C3)n[nH]2)cc(C(F)(F)F)c1 1814388886 JXRTZVTXHQIESS-KSSFIOAISA-N 495.452 5.041 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)[nH]n1 1814441348 HAXTWDMPPCRLLO-HSZRJFAPSA-N 472.593 5.165 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2ccc3c(F)cccc32)n[nH]1 1814831287 WUKAMHDRYHYAJO-JOCHJYFZSA-N 465.573 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2ccccc2F)n[nH]1 1814852188 MRSGCGCQAIIWQS-OFNKIYASSA-N 452.574 5.332 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cccc4ncccc34)n[nH]2)c1Cl 1815179980 YQYVLJMTAZSKTI-HSZRJFAPSA-N 498.974 5.032 30 20 JKED Cc1csc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1815379960 QPSDGVJQFSGVLZ-IBGZPJMESA-N 456.688 5.137 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)n[nH]1 1818160816 QTZLCBGPOYJEBX-NFBKMPQASA-N 489.576 5.148 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)n[nH]1 1818161419 PEPMADLCQLMMBU-HXUWFJFHSA-N 492.649 5.535 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cc[nH]n3)n3ccccc23)n[nH]1 1818973314 UXASFNFMPZDXFE-QHCPKHFHSA-N 499.619 5.351 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)[nH]c12 1819025242 CNJXWNDTOYYBBJ-JOCHJYFZSA-N 486.963 5.344 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1819309104 MPIIPBYBIOZXAD-UWJYYQICSA-N 451.958 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)[nH]n1 1819554585 JQCUNCWCRVKMMB-FDTGPBLFSA-N 464.635 5.282 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1820971155 ZZHUTRSDLNEXFD-RHSMWYFYSA-N 488.013 5.385 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]n2)cc(C(F)(F)F)c1 1821310178 MBJABIQOIDNJGT-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc3ccc(Cl)cn3c2C)n[nH]1 1821564612 RBZZXPHEFMZIDE-AZUAARDMSA-N 481.000 5.094 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(Br)cc4)CCC3)n[nH]2)C1 1822489929 NPFALHDZPLWOLK-OAQYLSRUSA-N 497.437 5.252 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1)c1ccc(O)cc1 1822979829 COZBQSCBOPNLSA-WKJFVQFFSA-N 474.605 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(F)CCCCC3)[nH]n2)c1 1823214356 CEKXGXCVWFJEJW-UWJYYQICSA-N 451.546 5.015 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3sccc3Cl)[nH]n2)c1 1823217222 JHLPNVUNWXROAL-IFXJQAMLSA-N 467.982 5.371 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1824543726 DVNGXRCWBZKPRD-DTRLIKKFSA-N 493.511 5.036 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1824850857 RJXRXWSUDLFXLV-VGOFRKELSA-N 468.535 5.219 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)s2)CC1)c1ccc(O)cc1 1825352115 QRXIVPHFKYNRHZ-FYYLOGMGSA-N 482.621 5.023 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(Cl)c2)CC1 1825938261 CJAACYGQUZREDI-JOCHJYFZSA-N 474.121 5.019 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827353069 FITUXIBTEHNTHX-AREMUKBSSA-N 475.608 5.315 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)C1 1827365540 XQBMYQREZKKUPL-LJAQVGFWSA-N 493.651 6.101 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1828827798 VGLLQAFFMFESAO-GMAHTHKFSA-N 499.652 5.628 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1828830303 SSVVZZLXZOKAPM-BJKOFHAPSA-N 468.638 5.014 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(C)c(C)c2)CC1)c1ccccc1 1829029577 CNFJIUFDRKSNDF-WUFINQPMSA-N 471.645 5.129 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ncsc3[nH]2)CC1)c1ccccc1 1829033626 YCHZAKMKCVVQLU-DHLKQENFSA-N 488.657 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 1829070715 LUIDYFATUPOXDM-HSZRJFAPSA-N 475.073 5.503 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1Cl 1829689916 VWTFGZCJGNPAPW-NRFANRHFSA-N 488.390 5.551 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)c1 1829779854 IIHWCQTWJHNMJY-QHCPKHFHSA-N 487.431 5.059 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2F)CC1 1830091458 SNHLRVKHWBRNDH-DEOSSOPVSA-N 474.668 5.249 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830476877 SNGDRHPFMLSPRA-QHCPKHFHSA-N 471.935 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(OC)cc2F)CC1 1830586853 BMAAZKUKMQMFLB-QFIPXVFZSA-N 462.581 5.199 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1830765522 PTSTYBKJMZVDFW-RUZDIDTESA-N 481.999 5.135 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4sccc4c3O)CC2)c1 1830956456 ROTHASDIPCKENC-QHCPKHFHSA-N 473.598 5.026 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)cc1 1830967503 CYWVBUDTEAMIEG-SANMLTNESA-N 486.641 5.034 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1)C(F)(F)F 1831453136 SADUJWRSAQRIDT-FQEVSTJZSA-N 479.930 5.240 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2Cl)CC1 1831858254 JWIHPEIGNITNBA-HXUWFJFHSA-N 472.935 5.091 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1)c1ccc(O)cc1 1831925757 JAOWNGRLCXSIFK-RSXGOPAZSA-N 482.640 5.181 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C)cc3Cl)CC2)c(C#N)c1 1832608031 VRXKIOYFMHPCGQ-SANMLTNESA-N 494.035 5.005 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832626527 PHQIHNKXLKWYOA-VWLOTQADSA-N 481.999 5.217 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)c1 1832635582 KEVKKFOHUSJLPC-IDISGSTGSA-N 485.628 5.186 30 20 JKED Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832704153 HJWRBMHWLVUWLN-SANMLTNESA-N 491.607 5.340 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCCCC2)CC1)NC(=O)OC(C)(C)C 1832755398 WXCJJMWVSUDQHM-DNQXCXABSA-N 489.701 5.046 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(OCc3nc(C(C)(C)C)cs3)c1)C2 1845981227 JHQAZPVTZVDTGD-LJQANCHMSA-N 481.662 5.049 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)cc1 10317336 STDKEQZVDIRPPP-UHFFFAOYSA-N 453.593 5.028 30 20 JKED COc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(Cl)cc3)=C2C)cc1 10358081 UEHFTXWBJKEKMC-XMMPIXPASA-N 489.000 5.569 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(Cc2ccccc2)cc1 11153239 PQEAJGOFILORML-UHFFFAOYSA-O 451.615 6.233 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2c(C)cccc2C)cc1 11153330 IYVLUPANSGFTAL-UHFFFAOYSA-O 467.605 6.824 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n(C2CCCC2)c1C 12479757 WTZJFRVZPQJRTN-UHFFFAOYSA-N 477.634 6.170 30 20 JKED C=CCn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nc2scc(-c3ccccc3)c2c1=O 14674684 PMQYEFNFXYPABP-UHFFFAOYSA-N 493.013 5.493 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(N(C)C)cc1 14871954 DRWGBZOIYIXPJY-UHFFFAOYSA-O 460.667 5.951 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(C(C)(C)C)cc2)c1 14872198 MQFPGIGHSAYETJ-UHFFFAOYSA-O 458.072 6.600 30 20 JKED C=CCn1c(SCc2nc3c(C)cccc3c(=O)[nH]2)nc2scc(-c3ccc(C)cc3)c2c1=O 16220008 KCPCIUFWAUGDIY-UHFFFAOYSA-N 486.622 5.457 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22691270 LOKVVFSJBQRNCG-AREMUKBSSA-O 487.689 5.570 30 20 JKED CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C1(C#N)CCCCC1 23423348 ZHJJFVNLFPBKTL-UHFFFAOYSA-N 480.037 5.424 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23604700 OFCCOEOXBHYVBC-UHFFFAOYSA-O 473.449 6.156 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccc(OC)cc1 23998155 XJEQEZFKYDRUOK-IBGZPJMESA-N 450.608 5.058 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)n(-c2ccc(F)cc2)c1C 26234253 UXQOSIXDCMSAGT-UHFFFAOYSA-N 494.983 5.285 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1ccc(OCc2nccn2C)cc1 59324410 OOOWZVRUNKYYMM-VAWYXSNFSA-N 464.928 5.241 30 20 JKED C=CCN(C(=O)CCc1nc(C(C)C)no1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 116991031 DPCHCHOFGKHDGF-UHFFFAOYSA-N 451.379 5.775 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1C 255080146 YEGDNRIXWAQBDK-NRFANRHFSA-N 451.523 5.196 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccncc1 255929908 PPJDMRZYMLYNEC-NSHDSACASA-N 468.797 5.606 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)nnc1-c1ccc(Cl)cc1 255933371 KSKSCRMCLDJHRQ-UHFFFAOYSA-N 496.061 6.023 30 20 JKED CCOc1ccccc1[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)NC(C)=O 303235356 ZWSLSDCMBFUTKX-ZCYQVOJMSA-N 475.976 5.600 30 20 JKED CCCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccc(Cl)cc1 409815894 XLMPWWKMRQRKAG-UHFFFAOYSA-N 463.994 5.852 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(C)n(-c4c(Cl)cccc4Cl)n3)n2)cc1 481829598 IEEZDFUAEFCFEE-HNNXBMFYSA-N 484.368 5.505 30 20 JKED C=CCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccc(Br)cc1 484879030 JEFVOLRINYOTQU-UHFFFAOYSA-N 460.382 5.297 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 493049739 BBUCARQMHXUUAK-UHFFFAOYSA-N 464.319 5.142 30 20 JKED Cc1nnc(SCc2c(C(=O)N(Cc3ccco3)c3ccccc3C#N)oc3ccccc23)s1 499380938 ZBWYYIICAPTNTF-UHFFFAOYSA-N 486.578 6.197 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cc1csc(NC(=O)c2cccs2)n1 501158018 DDQGGRNQGOSDLO-UHFFFAOYSA-N 490.585 5.552 30 20 JKED C=CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502955972 KBZQPWABYQBOJN-UHFFFAOYSA-N 492.340 5.645 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1Cl 503612462 CEWOJEGPJDOJDC-MRXNPFEDSA-N 472.854 5.173 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 508151477 ZXJXCQPGIXTFIJ-UHFFFAOYSA-N 459.493 5.690 30 20 JKED C=CCOc1cccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1 509114086 VGJYZPUQGSIZNU-UHFFFAOYSA-N 460.914 5.097 30 20 JKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)c1 510620798 ZTVWVEVAOCEEEX-UHFFFAOYSA-N 469.585 6.024 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cn2)c1 510728454 GWTBCGQTAUQWOG-UHFFFAOYSA-N 480.524 6.177 30 20 JKED Cc1nc(SCC(=O)Nc2ccccc2SCC#N)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 514343668 NHVKIQJYGBHZGX-MUGJNUQGSA-N 454.665 5.844 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)s2)c(C(F)(F)F)c1 515298542 MRJMBLNDSVXMOM-HUUCEWRRSA-N 461.431 5.932 30 20 JKED C=CCN(C(=O)C[C@@H](C)c1ccc(F)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 515868166 GJTAFRPRIOVPCK-MRXNPFEDSA-N 458.580 5.066 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1 516487212 WTZBWKMZYDASSU-UHFFFAOYSA-N 470.476 5.440 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 516840653 MYMWWUBREAXVGT-UHFFFAOYSA-N 478.577 6.747 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(OC(F)(F)F)c2)c1 517091982 KPSARWUOKIGGHD-UHFFFAOYSA-N 471.460 5.440 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 517434433 RYIISTYUTPIECB-UHFFFAOYSA-N 479.427 5.402 30 20 JKED Cc1cccc(COc2ccc([C@@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c1 517467241 RBPJVJIMWVQALS-LEWJYISDSA-N 487.625 5.642 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCC(F)(F)F 517529529 GNTDYYJKRUBWIP-AWEZNQCLSA-N 453.486 5.352 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 518074181 YOVXSGSNSJOTAU-CABCVRRESA-N 462.662 5.048 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(C(=O)Nc2ccccc2)cc1 518667177 WGJRVCPYSLRIFK-IBGZPJMESA-N 475.639 6.205 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 519431621 HQCHULLNCXUCHX-LLVKDONJSA-N 495.876 6.822 30 20 JKED COc1cc(I)c(Cl)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 520924276 SDJRTPSAYRGJQG-LLVKDONJSA-N 486.762 5.600 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)C4CCCC4)c3)cc2)c1 520937316 YMSBYJYDIFKIHP-UHFFFAOYSA-N 454.530 5.801 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 520939511 ZPTOWVZXCAXJAY-ZDUSSCGKSA-N 484.931 5.855 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 521613846 QZPLRJWMZGZHOQ-CLOONOSVSA-N 460.961 5.923 30 20 JKED N#CCCn1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 572186856 RLKZMRBXDRKJPY-UHFFFAOYSA-N 498.524 5.172 30 20 JKED Cc1cc(C)cc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)c1 589944821 WMDXJFQGYLCWFD-ZDUSSCGKSA-N 452.605 5.532 30 20 JKED CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(-c2ccccc2Cl)n1 595127456 QSNHOPJBGWKZIG-HNNXBMFYSA-N 467.907 6.193 30 20 JKED Cc1ccc(SCc2cccc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)c2)c(C)c1 603591810 VDQXDAQJHRFPNA-UHFFFAOYSA-N 472.614 5.295 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 603990513 HWNUNBMSQRJYHI-UHFFFAOYSA-N 453.542 5.406 30 20 JKED CN(C(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1)c1ccccc1 603991390 QJHKGXNLQQXJIV-UHFFFAOYSA-N 461.521 5.666 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(Cc4ccncc4)CC3)cc2Cl)cc1 604090341 VIZLPKFDCVQUCD-UHFFFAOYSA-N 461.953 5.185 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 604102006 GAANVPUVYFULME-UHFFFAOYSA-N 469.570 5.587 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(OCc3cccnc3)cc2)cc1 604248857 VYFLMZBIJALWCT-UHFFFAOYSA-N 451.501 5.514 30 20 JKED N#Cc1c(NC(=O)CCN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)sc2c1CCCCC2 604276294 IEUHBGIDMQARNA-STQMWFEESA-N 467.479 5.280 30 20 JKED Cc1ccc(OC2CCN(C(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)CC2)cc1C 604439606 ULZQFIYRLLNTRM-UHFFFAOYSA-N 499.636 5.590 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 609075885 LYSKSPRXFSSHJC-UHFFFAOYSA-N 465.937 5.172 30 20 JKED CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080957 XSXUORYWHMFACG-UHFFFAOYSA-N 468.985 5.045 30 20 JKED N#C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OCc2ccccc2)cc1 609171960 JQXWGNZRHLWDSI-QHCPKHFHSA-N 472.932 5.283 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(Oc2ccc(F)cc2F)CC1 612804806 XKGCMJXUUQOMCS-VXGBXAGGSA-N 474.392 5.427 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 642158524 SGMXVPWOCAVROP-UWVGGRQHSA-N 491.329 5.670 30 20 JKED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N(C2CCCC2)C1=O)Nc1cccc(Cl)c1Cl 726107424 CRAVPEFPIHKJSW-MKNVGELUSA-N 491.444 5.202 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726322374 WGNFLNBAQHAXDA-NKELODKYSA-N 478.420 5.286 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(F)(F)F)C2=O)c1 726414458 BUZDYGCQBMBJRL-IBGZPJMESA-N 495.523 5.005 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1C(=O)N1CCCCC1 726443506 OWFIRZVSFSHEJJ-UHFFFAOYSA-N 495.073 6.684 30 20 JKED Cc1ccc(-c2csc3nc(/C(Cl)=C/c4cccc(OCCCC#N)c4)nc(O)c23)cc1 726742675 VKGFHNKAUQKCHD-STZFKDTASA-N 461.974 6.792 30 20 JKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728264550 AFUCMCQMZIZRPT-UHFFFAOYSA-N 457.452 5.262 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CC(F)(F)F)C2=O)cc1 728424822 ILMKWLACPVLMSK-FQEVSTJZSA-N 482.487 5.234 30 20 JKED Cc1ccc(NC(=O)C(=Cc2ccc(O[C@H](C)C#N)cc2)C(=O)Nc2ccc(C)cc2C)c(C)c1 728695744 FKGDEMXRGSBHRP-JOCHJYFZSA-N 467.569 5.872 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)c(C)c1 728776234 AKRJSJFQBGAHTI-QFIPXVFZSA-N 493.589 5.174 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1scnc1C 729144061 UIHLENCCULNPFY-LJQANCHMSA-N 486.569 5.199 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2c[nH]c3ccc(Br)cc23)cc1 730552175 GEBYAFULLOCKAR-UHFFFAOYSA-N 470.396 5.395 30 20 JKED Fc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1Br 730583798 LCWGBIGOBJLAGT-UHFFFAOYSA-N 476.158 5.236 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 730687983 QXBLDYGLENPRES-ZFWWWQNUSA-N 499.441 5.005 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O 730716668 XYMAOVNMVGFMOH-LJQANCHMSA-N 489.384 5.450 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731063703 RGKGUNZSRPMMMJ-CQSZACIVSA-N 469.950 5.493 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 731305833 GVMWTBIMYYJWLG-FDDCHVKYSA-N 474.586 5.126 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccs1 731306584 AYNDFICAVZNNPW-OAQYLSRUSA-N 465.600 5.177 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@H](C)c2cccs2)c1 731311544 DTVDEPQQQFABNK-NSJWOJMJSA-N 479.627 5.352 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 731316500 ZJNXJYRAIBHAGO-VFNWGFHPSA-N 497.646 5.008 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 743524098 GMYRKAITPHKJQK-OYHNWAKOSA-N 498.530 5.529 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 743524985 NPLFACMJDRPZDO-HXUWFJFHSA-N 471.554 5.495 30 20 JKED CCOc1ccc(-n2c(-c3ccncc3)nn(CN(Cc3ccc(C#N)cc3)C(C)C)c2=S)cc1 746034175 YTLVJBVPEPONFR-UHFFFAOYSA-N 484.629 5.604 30 20 JKED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 746345326 DOTNQVRTWVIZSC-FLIBITNWSA-N 456.373 6.536 30 20 JKED C[C@H](C#N)CN(C)Cn1nc(CSc2nc3ccccc3s2)n(Cc2ccccc2)c1=S 746706697 PNVKITLTEKSFPM-QGZVFWFLSA-N 480.688 5.413 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2nccs2)cc1 747598676 CQOANRINCKXQDC-LJQANCHMSA-N 485.034 5.308 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2 755852721 ATFMYGORCSPKPP-KTMQUMABSA-N 483.568 5.027 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CC(F)(F)F)C2=O)cc1 799218919 IKNURYIORCENLD-KRWDZBQOSA-N 485.915 5.261 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 837397784 AZIXRRREZGBXGV-RDPSFJRHSA-N 472.614 5.728 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1C 837401844 KSZAHBRSTJXBEO-XXBNENTESA-N 458.587 5.420 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2cccs2)C1=O 837638550 BUTWOAKJLDOWCI-JOCHJYFZSA-N 479.627 5.534 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1OC 856825905 CYWFHPLVZDLCNK-ICFOKQHNSA-N 483.608 5.448 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N([C@H](C)Cc2ccco2)C1=O 914690561 ZINMWOUNNRBIGT-UZUQRXQVSA-N 495.576 5.327 30 20 JKED N#C[C@@H](C(=O)Cc1csc(Cc2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915104982 QFXOGUKZDNYUDV-INIZCTEOSA-N 457.502 5.781 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cccc(OCc2ccccn2)c1 915944931 OFESSYRMRYBZNI-UHFFFAOYSA-N 456.358 5.397 30 20 JKED O=C(COc1ccc(C(=O)/C=C/c2ccccc2OCc2cccnc2)cc1)Nc1ccccc1 915984084 HPZYCNBVFRNHRN-SAPNQHFASA-N 464.521 5.574 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1C 916216635 XXPRQQZRXUDPKH-OAQYLSRUSA-N 490.025 5.044 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CC3)C2=O)c1 916217731 WARLOBWAERDSHS-GOSISDBHSA-N 477.558 5.133 30 20 JKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1cn(-c2ccccc2)nc1-c1cccnc1 916345295 YXMPCLQKGHLDFT-UHFFFAOYSA-N 457.950 5.017 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 916849668 XQOOSCPGBAGGIA-APWZRJJASA-N 496.617 6.110 30 20 JKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 916887137 RUUGYRVTWGNDQI-FQEVSTJZSA-N 469.393 5.925 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2c(C)c(C)sc2n1 916976563 SLSQGJURBATDGQ-INIZCTEOSA-N 485.059 6.362 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 917026340 FFOCMWGUBMCMDF-MRXNPFEDSA-N 482.359 5.098 30 20 JKED COc1ccc2c(C)c(CCC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c(=O)oc2c1 917047164 SHNTXVJJSRAHRF-KRWDZBQOSA-N 452.919 5.182 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)cc1 917657777 QLFLXYRDZPATOC-IBGZPJMESA-N 477.417 5.182 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)c1 917675728 YYXMAJXRWKEQDJ-QHCPKHFHSA-N 495.551 5.272 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917680927 INBDVRJUVJNGJI-ZRBLBEILSA-N 497.064 5.236 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918544035 BBEFXLXVDWTYNY-HIXSDJFHSA-N 483.059 5.049 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1C#N 919035482 OKYLTSJJOBAGSC-FQEVSTJZSA-N 490.412 5.380 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 920003834 PMUYHACSYSIJBN-UHFFFAOYSA-N 468.282 5.211 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)n2)cc1 920141253 NFZJSPCCDXTZAH-FQEVSTJZSA-N 490.997 5.790 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 920143898 UJGKQJICEWAUOY-WIYYLYMNSA-N 479.989 5.201 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 920352719 RERQSBONUZJKEY-VWLOTQADSA-N 498.608 5.283 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3c(C)noc3C)C2=O)c1 920355666 LPZYILRFUTYCHW-JOCHJYFZSA-N 497.020 5.722 30 20 JKED CCCOc1ccc(CN(Cc2ccccc2)C(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1 1435679406 YUVBSZDNRSRXHX-UHFFFAOYSA-N 457.574 5.226 30 20 JKED C[C@H](NNc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1785851521 LXZYOAXTSDUEJD-RTWAWAEBSA-N 481.600 5.067 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4COc5ccccc5O4)cc3)CCC2)c1 1786312638 YKJJHMGAUSHMMT-CJFMBICVSA-N 495.579 5.291 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3csc(C)n3)cc2)CCC1 1787528657 KLAVGASQWUMJFO-FQEVSTJZSA-N 498.649 5.059 30 20 JKED O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3ccc(OCC(F)(F)F)c(F)c3)CCC2)cc1 1787876627 NNTLESSIHZSESV-UHFFFAOYSA-N 492.391 5.467 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4s3)CCC2)cc1 1788028426 DSUCSMVEUFKNRV-UHFFFAOYSA-N 478.593 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](N)c4cccc(Cl)c4)cc3)CCC2)c1 1788051620 DBHLAGBFFGCUPJ-CJAUYULYSA-N 487.003 5.415 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C=O)s4)cc3)CCC2)c(Cl)c1 1788154659 WBQCREGLQWJSFW-UHFFFAOYSA-N 463.946 5.147 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)/C=C/c3ccsc3)CCC2)cc1 1788649331 IUZNQMANZLGQQO-YZUAGEKXSA-N 462.596 5.396 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc4[nH]ccc4s3)CCC2)cc1 1788650594 GQEYVTZURLTBOE-CMDGGOBGSA-N 475.595 5.478 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)C[C@@H]21 1788738118 SRDIPVSGVKIWRZ-CVJWPJSTSA-N 496.598 5.218 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(F)nc3)cc2)CCC1 1789713632 GPPJPTWCRPYFHJ-UHFFFAOYSA-N 451.618 5.020 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c(C(C)(C)C)c4)CCC3)cc2)c1 1790074059 SKXNGJQECPSFBP-UHFFFAOYSA-N 470.573 5.254 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)CC3CCC(C)(C)CC3)CCC2)cc1 1790511176 XCLCXGSDPSTSJH-UHFFFAOYSA-N 454.611 5.236 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)cc(Cl)n4)CCC3)cc2)cc1 1790706691 PTDNAADZTULNKB-UHFFFAOYSA-N 479.367 5.516 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]3C)CCC2)cc1 1791517606 NLKGLDHXFXCJRQ-VLCRHTCISA-N 469.626 5.026 30 20 JKED C[C@H](Sc1cccs1)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792240477 GLWPWSADCFXUDN-SFHVURJKSA-N 491.638 5.313 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(C#N)c1)C2)c1ccccc1 1793208096 GCWLVPBVCCQQSL-KHUIQGCPSA-N 494.433 5.012 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)C1 1796478797 UGVROFBKELPLSO-QEIWAGNOSA-N 478.596 5.029 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Br)cccc1-c1ccccc1 1799281792 ZOCCQQGBZHYLQE-KOUNCHBCSA-N 493.445 5.562 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C)CCC(NC(=O)OC(C)(C)C)CC1 1802070784 SAKLLABRWILWHN-WXFFZTEDSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1802497954 LBTQKJHQUXXCGM-ZJSXRUAMSA-N 476.646 5.312 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1802503127 QPYBJOADCFDALR-BVAGGSTKSA-N 493.623 5.322 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1803092712 KMSRHFAVZGXHTK-ADHNFCLRSA-N 477.571 5.225 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1804374255 JLCUIVNGVLDRML-MFKKHJOZSA-N 468.601 5.051 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c(-c4cccc(OC)c4)c3)CC2)C1 1804858525 OFGFTHYMOJEHMZ-UHFFFAOYSA-N 477.649 5.528 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cn3ccc4c(F)cccc43)CC2)C1 1804859626 GKLCAKNGOREDKR-UHFFFAOYSA-N 453.602 5.004 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4ccccc4c3Br)CC2)C1 1806029619 OUYHGIICULZJHU-IBGZPJMESA-N 499.449 5.038 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1807467881 PSUVKLGUGKFKQW-POURPWNDSA-N 491.676 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1808707266 CNMBVMOPZMMXPL-KNKQGSTJSA-N 475.511 5.090 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1808877558 WZGZBJKKDROICU-RSXGOPAZSA-N 451.655 5.462 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@@H]1c1cccnc1 1809499266 CTLLKUSNHRTJCT-BDBHHUNTSA-N 498.627 5.059 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)cc1 1809759165 VFCYFJZSTDWIHD-RDPSFJRHSA-N 486.622 5.057 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1810175104 WNYJFESLRMCEPA-CLCZQPDDSA-N 453.586 5.323 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC3(CCN(C(=O)Cc4ccc(C#N)cc4)CC3)C2)c1 1810339689 LXXUPCONOQWNKT-UHFFFAOYSA-N 492.623 5.016 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc3cc[nH]c23)[C@@H]1c1cccnc1)c1ccccc1 1810443165 DGURZLIZYZTIHE-QXTIUPHPSA-N 490.607 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1810501204 HTGBHAKVZHLQFT-VGOFRKELSA-N 492.422 5.840 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1810503450 QCLSHLSCANXACD-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(OC)cc3)CCC2)[C@@H]1c1cccnc1 1810505106 MQIJXFYRXQXZHQ-ZEQKJWHPSA-N 489.660 5.210 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3c(Cl)cccc3Cl)[C@H]2c2cccnc2)cc1 1811716238 OVXZYMWBNWWVGM-HYBUGGRVSA-N 493.394 5.088 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@H]1c1cccnc1 1812219495 ZHRQFYKIKBULOK-QNXIHNPRSA-N 482.584 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302473 YIWZHXVNVWDVPX-AMGIVPHBSA-N 495.623 6.293 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1812451097 HKUBMGKVLBITEM-WPSZSDGUSA-N 474.432 5.239 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1812589353 BRMIPDFZDVERKB-IDNYDCHQSA-N 485.628 5.310 30 20 JKED Cc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)s1 1813371348 VASRMVUCFSRXNL-UZXLYKSHSA-N 491.016 5.010 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1F 1813864350 ZOZOQVHITMUAJK-LHKSUUPMSA-N 498.602 5.109 30 20 JKED CC(C)c1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813869550 JTURXROLDPJYJF-BOGJOCPPSA-N 494.639 5.394 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@H]1c1cccnc1 1813990324 HRLCJMVPMMLQAD-BHBYDHKZSA-N 497.614 5.325 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1814441702 FLXGMIMAUWGGAQ-GOSISDBHSA-N 486.041 5.971 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1815208558 FLHDXTAENAWJKY-IBGZPJMESA-N 498.933 5.371 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1)C(F)(F)F 1818775326 YWMRJZXKNQWDAQ-HNNXBMFYSA-N 482.915 5.702 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)cc12 1819053913 HPRZCKSSNFAJNF-ZJVMWOEPSA-N 487.585 5.006 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)c1 1819078861 MWRZBHDVMCRLES-HXUWFJFHSA-N 473.533 5.255 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/Sc2ccc(C)cc2)n[nH]1 1819359005 DNFOGUYXIZFLRM-VUVZNRFTSA-N 460.550 5.228 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1 1819386193 BKGYYFBFUUQTQL-DVECYGJZSA-N 476.644 5.199 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)n3)n[nH]2)c1 1819751251 NOHRPPYPYDPNBY-MGPUTAFESA-N 496.493 5.070 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCOc3ccc(Cl)cc3)[nH]n2)c1 1820482354 ZWTAJHXBTQFODQ-QHCPKHFHSA-N 491.979 5.100 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cccc1C(F)(F)F 1820553807 NWBZTEGRBQAVAP-OAQYLSRUSA-N 481.478 5.228 30 20 JKED CCCCCc1cccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)ON=C(C)C)[nH]n2)c1 1820712439 UEGVCAFOVOQYDD-GBXCKJPGSA-N 481.641 5.178 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274600 ISZUGIVOWYKWAS-SFHVURJKSA-N 483.981 5.015 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)[nH]c12 1821277562 BXFAEJXAQZEKRM-JOCHJYFZSA-N 486.963 5.344 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)[nH]n2)c(Cl)c1 1821278218 PNCRTRQQHUNXRC-PGRDOPGGSA-N 493.917 5.158 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c1 1821325305 GAUJSQZVCBLWBQ-FQEVSTJZSA-N 465.916 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccc(F)cc34)[nH]n2)c1 1821326493 XSKRFCLXTNKIAB-RUZDIDTESA-N 498.562 5.149 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821611155 OLAAQLUHEJYZIE-INIZCTEOSA-N 489.504 5.050 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)[nH]n1 1822384420 CUGLDRNWVIYJCP-JTSKRJEESA-N 480.659 5.326 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1 1822394025 MJEUUIAJXYOZCA-HXUWFJFHSA-N 461.393 5.145 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1822585269 OUOXSWATRWAKFX-LJQANCHMSA-N 464.463 5.067 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)s1 1823210868 JMDNKSOBCVXPBJ-HXOBKFHXSA-N 475.618 5.345 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823211501 MSBDDESJLKPEQN-MBSDFSHPSA-N 475.618 5.345 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 1824032267 WMWPEHRGBWBRLV-FCEKVYKBSA-N 487.619 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2Br)CC1 1824140957 BZJPIOOMKJVORI-HXUWFJFHSA-N 463.416 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)sc2C1 1824821904 GYONDGQXSWHPCC-XZOYJPPVSA-N 494.705 5.177 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1824960541 OYZHIJLSNMRSPR-ZCYQVOJMSA-N 460.659 5.104 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc(C(F)F)c3)CC2)c(Cl)c1 1825404600 NJBNPGXZQLUUPQ-JOCHJYFZSA-N 486.950 5.091 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3scnc3C3CC3)CC2)c1 1825649594 XMBPTKQFRXUWPM-JPYJTQIMSA-N 476.646 5.195 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1825952991 VSHAHTQXKLRFJJ-RXFWQSSRSA-N 489.660 6.060 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828357741 ZGQBIUUHKUGYQT-WOKXFPNESA-N 485.559 5.390 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828422086 JYAKCBQVOYITPS-RDPSFJRHSA-N 456.593 5.516 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1828498707 QVMBUFSHZGOTGA-ZEQKJWHPSA-N 499.659 5.331 30 20 JKED CSc1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906629 XZMUOSRHVBNEPA-HSZRJFAPSA-N 485.770 5.088 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccco2)CC1)c1ccccc1 1829031297 XREUKGSLHHUASF-SVBPBHIXSA-N 460.618 5.029 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCn2cccc2)CC1)c1ccccc1 1829036157 ZSCOPSJMZKXKDJ-WUFINQPMSA-N 473.661 5.085 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nscc23)CC1 1829068543 CQHXZBQNYPTWAC-QHCPKHFHSA-N 453.652 5.522 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c(C)c1 1829689990 XQISTANISYOMAO-DEOSSOPVSA-N 480.008 5.076 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1829999418 XTBZOTYJZPXJCN-QHCPKHFHSA-N 469.507 5.124 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830417529 CATILHHGYPWYQN-YWZLYKJASA-N 486.415 5.167 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)cc1 1830481447 KBGQJFMTCPYGFF-VWLOTQADSA-N 481.999 5.217 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1830709727 ITMLKVMIBBPSSZ-HXUWFJFHSA-N 494.583 5.020 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830715311 RRYPEOCORNEDPW-UFIOJNINSA-N 465.594 5.096 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1831369522 CNBWPESMWUHAGC-GBXCKJPGSA-N 452.639 5.236 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1831375132 NAKYCJPAYZTODH-KXBFYZLASA-N 471.951 5.199 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831852695 ZBJUZCMVAWOXSV-ZEQKJWHPSA-N 494.079 5.664 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)c1Cl 1832564824 KIQJNNMXGQZKIL-FQEVSTJZSA-N 462.421 5.229 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3cccc(Cl)c3)CC2)c1 1832630136 ZYFXZUANQFALME-IBVKSMDESA-N 494.035 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3occc3Br)CC2)c1 1832630400 HQPRPKZQHQGVQG-VGSWGCGISA-N 498.421 5.216 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCCn3cccc3)CC2)c1 1832631175 AGUDQEXNPQUCQR-WNCULLNHSA-N 474.649 5.219 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633736 LTSFOVOROICZGM-JUPNKONYSA-N 470.617 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)COc2ccc(Br)c3ccccc23)C1 1844992945 HTTXJICHKORTKO-UHFFFAOYSA-N 499.449 5.177 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)c1 10174489 BRKNQDWQLHLUET-UHFFFAOYSA-O 496.612 6.086 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2c(C)cccc2C)cc1 11153242 NDPVPPOLRTWUCZ-UHFFFAOYSA-O 468.440 5.967 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)nnc1-c1ccc(Cl)cc1 11450093 QIAHKTXXRJQNAY-JOCHJYFZSA-N 471.026 5.399 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1ccccc1)c1ccc(-c2ccccc2)cc1 15247624 NEYYKAFSPMQIGU-UHFFFAOYSA-O 488.430 6.455 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 21366871 WAHWNIJKQVIBGC-UHFFFAOYSA-N 467.353 5.220 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C 32785239 QMLZDTZDHYUJOL-OAQYLSRUSA-N 474.552 5.829 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c12 195662732 VQEXBERGROPBFI-SFHVURJKSA-N 456.575 5.381 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)C(C)(C)c2ccccc21 206010054 OWWSMZUNTMVWQZ-MNQDVBFDSA-N 492.620 5.236 30 20 JKED Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1NC(=O)c1ccncc1 303062263 MDDBTUPIUSBFJL-UHFFFAOYSA-N 462.509 5.345 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)nc(O)c2c1C 303382346 MVUVFHKKKTWDTM-BXUZGUMPSA-N 481.430 5.323 30 20 JKED CCOc1ccc([C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C(C)C)cc1OCC 409473480 DPJBZRCYAHBOIO-AREMUKBSSA-N 492.620 5.113 30 20 JKED C=CCN(C(=O)CCCNC(=O)c1ccco1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 483179407 GARHNXJIJWQOJK-UHFFFAOYSA-N 471.582 5.799 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)c(NS(=O)(=O)c4cccs4)c3)c2)cc1 484596096 YKSOHGBAKLHWMO-UHFFFAOYSA-N 493.541 5.604 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 494442307 HPQKDTOUOKFUHA-UHFFFAOYSA-N 464.387 5.054 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Br)c4c(c3)OCCO4)n2)cc1 501281970 DBSUWSSSEDGYFB-HNNXBMFYSA-N 455.333 5.142 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 508163569 PGLJIMVDULRBDN-UHFFFAOYSA-N 456.571 5.462 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 508261858 BMNUZDAACXIZKV-INIZCTEOSA-N 452.605 5.227 30 20 JKED COc1ccc(CCC(=O)N2CCCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 508299491 KTGWEWYOZVSWOD-UHFFFAOYSA-N 498.583 5.058 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 509686745 SAOJPCKVGXRQBL-DEOSSOPVSA-N 463.493 5.149 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(C(F)(F)F)cc1 511484968 UYLAAPIMWMBAIF-KRWDZBQOSA-N 481.474 5.166 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513666027 JKJLXXHPCDHDFP-MRXNPFEDSA-N 474.567 5.080 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 514574983 QVZMMKFVINWTTD-ISKFKSNPSA-N 466.368 5.855 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)N[C@H]1CCCc2ccccc21 514898125 RIJKXCNMIBLUJZ-QFIPXVFZSA-N 483.037 5.373 30 20 JKED CCOc1ccc([C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2c[nH]c3ccccc23)cc1OC 515117787 BUGDETWGVHYTFX-XMMPIXPASA-N 496.611 6.330 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)NC2CC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 515431232 SRRGCNZIIWESMX-QGZVFWFLSA-N 471.369 5.891 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cn1 515645009 DWWUMOGMOWALJG-UHFFFAOYSA-N 465.509 5.360 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1nc(-c2ccccc2)cs1 516072819 DYRUTPAPFMXLOD-LJQANCHMSA-N 497.567 5.483 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 517462052 ZKFDRHLKGXXIQX-WAIKUNEKSA-N 454.567 6.689 30 20 JKED Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 517465645 ABHPRFCIJQJXJX-KRWDZBQOSA-N 451.636 5.150 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-])c1ccccn1 518507522 BCBOYANTDJTQER-CZUORRHYSA-N 455.396 5.067 30 20 JKED CCc1nc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1-c1c(Cl)cccc1Cl 518660879 FJMUFFXPPAWQGC-ZDUSSCGKSA-N 460.390 5.641 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 519437522 HWYYARDNBITCQQ-GOSISDBHSA-N 479.499 5.022 30 20 JKED CC1CCC(OC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)CC1 520856340 BOIFFUMAJXTGLF-UHFFFAOYSA-N 465.569 5.868 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 521738747 AFZGVQKVQQVYBO-YQQAZPJKSA-N 453.530 5.125 30 20 JKED CN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)c1cccc(C#N)c1 522747475 HDCFMYUHTYQMDM-UHFFFAOYSA-N 467.550 5.303 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)c1 523380630 ULTVMSBTPIWWDW-LBNPDIFZSA-N 481.596 5.934 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 524389973 JSZHPHPSSXMFDS-UHFFFAOYSA-N 493.489 5.387 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccccc2F)n1 555063318 TXMPZZLJOICGID-HNNXBMFYSA-N 480.542 5.987 30 20 JKED C=CCn1c(SCc2csc(-c3ccccc3F)n2)nnc1[C@@H]1COc2ccccc2O1 590450289 SWZPUJLJKUBYBP-FQEVSTJZSA-N 466.563 5.532 30 20 JKED COc1ccc(-c2ccc(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(F)c2)c(F)c1 593039765 QLLDYOCDMYKYSY-BETUJISGSA-N 467.356 5.843 30 20 JKED Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cnn1-c1cccc(Cl)c1 603514451 IDPLSORERBFPNU-UHFFFAOYSA-N 466.979 5.102 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1nc2ccccc2n1-c1ccccc1 603739174 XGLJVGQAQOJICX-UHFFFAOYSA-N 473.536 5.964 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc(Br)c3c(c2)OCO3)cc1 604438529 WLPUQOKCZWUNHM-UHFFFAOYSA-N 481.371 5.272 30 20 JKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604522909 VBMNIEFJCSURAU-RBJSKKJNSA-N 469.585 5.963 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604523936 OEMDTJBLGRCTHK-QHCPKHFHSA-N 477.973 5.325 30 20 JKED Cn1c([C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2ccccc2)nc2ccccc21 608793786 URYVYNKIXQDXBZ-SANMLTNESA-N 474.524 5.543 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)cn2)c1 608840806 CUUSYRHZVCLLDP-LJQANCHMSA-N 484.491 5.346 30 20 JKED CCN(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)[C@H](C)c1ccc(C#N)cc1 609020703 RTKYDDKOAIDOFW-MRXNPFEDSA-N 454.505 6.001 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCc3c(Br)cccc32)cc1C 609025911 XQMRZOGZTXRZJC-JOCHJYFZSA-N 463.379 5.260 30 20 JKED COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cc2)cc1 609052973 IWSSCCHYUNPICG-UHFFFAOYSA-N 467.481 5.243 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(COCC(F)(F)C(F)F)c3)o2)cc1 609058211 WBQLSBGIGCJBHX-UHFFFAOYSA-N 462.399 5.400 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 609208340 TXWCDJLFDPJPFT-UHFFFAOYSA-N 468.513 5.306 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1 609428533 OOJGYZSXKWAXTK-UHFFFAOYSA-N 453.477 5.337 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609431641 RWCOHFSGTQUPRE-HNNXBMFYSA-N 472.545 6.553 30 20 JKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609436807 UYZDLMLJVLUQJG-MHECFPHRSA-N 463.578 6.334 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1Cl 613041598 PJOBLUOBBROMJD-DEOSSOPVSA-N 473.960 5.828 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4cc(C)oc4C)nc4onc(C)c34)n2)cc1 613314321 KGEQERNQYFKLBJ-FQEVSTJZSA-N 468.538 6.330 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(N3CCCC3)c2)nnc1-c1ccc(Cl)cc1 614708440 ALRIFGVDKWJCHW-UHFFFAOYSA-N 453.999 5.116 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 642282315 CKFGKZDKJHZPDS-MRXNPFEDSA-N 452.486 5.819 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C[C@@H](C)c2ccc(F)cc2)cn1 726114104 VEUCODXGLRJMKP-JPYJTQIMSA-N 493.608 5.115 30 20 JKED Cc1cc(-c2csc(=Nc3ccc(C#N)c(Cl)c3)n2[C@H](C)CN2CCCC2=O)c(C)[nH]1 726391263 FXGXCKJYLMTAKG-OAHLLOKOSA-N 453.999 5.102 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CC[C@H](C)OC)C2=O)c1 726393187 MZGVMAHXUVVFIH-MHECFPHRSA-N 491.613 5.234 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 726403032 YBEYYOUSBPNXJI-UGSOOPFHSA-N 498.407 5.518 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@H](C)c1cccs1 726419799 JRKRDOODPLZVJH-HQTCEHPBSA-N 480.055 5.136 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(CO)c2)c1 726573828 RQVXHCUYWVLYIH-UHFFFAOYSA-O 463.582 5.438 30 20 JKED COc1ccc(-c2nc(SCc3csc(-c4ccccc4F)n3)nc(O)c2C#N)cc1 728176760 ZMJYSLKFKKLQCA-UHFFFAOYSA-N 450.520 5.284 30 20 JKED CCOc1ccccc1[C@H](CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)NC(C)=O 728411639 KRIRTVGWSBERFG-PQNIMMIESA-N 491.657 5.453 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccc(C)n2)c(C)c1 728423514 NLXMFJDFCWLRCA-XMMPIXPASA-N 483.597 5.039 30 20 JKED CNC(=O)c1ccc(/C=C2\CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cc1 728438440 FLISQFFZDVTYQQ-FOWTUZBSSA-N 453.361 5.145 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 729375541 KDTQDLKJCGSUDA-UHFFFAOYSA-N 453.523 5.941 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc2)cc1 729891799 MYLIPNXCRRUWIK-IRLDBZIGSA-N 472.495 5.478 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c(C)c1 730460261 WCQWNHPOTXRKPK-FQEVSTJZSA-N 475.536 5.835 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1cc(Br)cs1 730468004 JUYDKCPYVONABH-UHFFFAOYSA-N 459.159 5.082 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1 730710773 ROVDUFQNDNQUJZ-QFIPXVFZSA-N 474.517 5.127 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1 730713880 VMVGQBMEMNPEHB-QHCPKHFHSA-N 470.554 5.297 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1C 730944224 UATWVNPFXZPKPG-MBSDFSHPSA-N 476.577 5.559 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)cc1 731306761 XVGJGNUPRQWBCJ-QHCPKHFHSA-N 481.618 5.010 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCCC#N)c(Cl)c1 731307919 IASVYOQRKGAWPY-FQEVSTJZSA-N 485.009 5.317 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCc2ccccc2F)C1=O)Nc1cccc(O)c1 731313500 YHCZVNIZHPSEJY-QFIPXVFZSA-N 499.514 5.013 30 20 JKED N#Cc1ccccc1COc1cccc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)c1 731314113 AKGHTVITRDICMF-UHFFFAOYSA-N 477.496 5.168 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 746698279 YXTJONLZYHTOTJ-HXUWFJFHSA-N 495.979 5.395 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)ccc1S(=O)(=O)C(F)F 747067340 SQEPTZLCHXZFGU-LCYFTJDESA-N 458.482 5.167 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1 750394555 HZXFJOLBSWJKAL-YJBOKZPZSA-N 498.008 5.018 30 20 JKED Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)n1CC(F)(F)F 756806923 RZXRTKAEDYAZGH-AWEZNQCLSA-N 467.513 5.053 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 799215326 KGPSYQHPTJPKQA-GOSISDBHSA-N 494.495 5.043 30 20 JKED CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1c(Cl)ccc(Cl)c1Cl 818201850 IKSPRSIKQDSSOW-UHFFFAOYSA-N 479.773 5.032 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1C 837402723 UATWVNPFXZPKPG-WZONZLPQSA-N 476.577 5.559 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 837543299 RTBDIQOLJQEHPP-VFNWGFHPSA-N 466.513 5.081 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(Cl)ccc1OCc1cccnc1 914692520 RACFYCNKVPWUJM-UHFFFAOYSA-N 486.984 5.943 30 20 JKED CN(Cc1ccc(C#N)cc1)Cn1nc(Cc2cccs2)n(CCc2ccccc2)c1=S 914783295 RRFQRQJBBSUMDY-UHFFFAOYSA-N 459.644 5.270 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915084962 BTVVYBREMBXYJH-XMMPIXPASA-N 453.567 6.492 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CC2CCC2)C1=O 915116644 LOQFWPGKPGRNSP-FQEVSTJZSA-N 489.544 5.057 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 915294344 CDGUDXAXNIACRI-UHFFFAOYSA-N 452.470 5.561 30 20 JKED C[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ncc(Cl)cc1Cl 915512239 QBFZHEAXYSJREM-CQSZACIVSA-N 470.312 5.023 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2ccccc2)C=C1 916203089 WJKOYPWCKQZJHI-UHFFFAOYSA-O 481.597 6.225 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccn2)c1 916206104 MDCCCEYIZKPPBA-RUZDIDTESA-N 496.592 5.404 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccn2)C1=O 916210269 ZACMROSKAYYELZ-OAQYLSRUSA-N 499.423 5.857 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)cc(C)c1 916210733 HTSVMRNYXMLTJW-LJQANCHMSA-N 461.509 5.469 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(C3CCCC3)C2=O)c(OC)c1 916215539 IFZLRPUPOSBGNA-QHCPKHFHSA-N 481.618 5.224 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1c(C)cccc1C 916217719 VQUFDITUWYFORA-SFHVURJKSA-N 461.509 5.469 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 916907393 MQHMSGZEWFBVMC-RUZDIDTESA-N 452.554 5.789 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916916453 ZLKPILLRNOYMHL-OAQYLSRUSA-N 468.513 5.649 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 916948848 YJHUBFBWRIFZKV-HOYKHHGWSA-N 481.552 5.077 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 916953845 FDTVWOFRKCVBJG-DFBJGRDBSA-N 495.645 5.114 30 20 JKED Cc1cccc([C@@H](CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC(N)=O)c1 916996190 HUSRCGKHOYFPTQ-SJLPKXTDSA-N 473.385 5.401 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 917504410 CFGUYVUEUPKGAM-IAGOWNOFSA-N 454.592 5.226 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Br)cc2)cc1 917614129 ZBXCNGWAKIVNGQ-UHFFFAOYSA-O 493.450 6.229 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 917644551 HITATFDLBSWRJM-GRSHGNNSSA-N 467.915 5.786 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccc(C#N)cc3)C2=O)cc1 917681787 BWFIVHQGERGMHH-RUZDIDTESA-N 496.592 5.230 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)cc1 917683156 SUXZOTUPXPBALD-YTFSRNRJSA-N 497.064 5.236 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1F 917696557 MOHLKRRAMSXKCT-JOCHJYFZSA-N 483.540 5.115 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccc(F)cc1 917703838 PJIIRHYEXAPVQE-HSZRJFAPSA-N 490.535 5.039 30 20 JKED COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1NC(=O)c1ccc(Cl)cc1F 917940222 YYURGVZRAXWKHN-AWEZNQCLSA-N 466.900 5.051 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)c(C)c1 918546467 AMNCGZUEXWOLRO-PZHAEXOUSA-N 470.639 5.121 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2cccs2)cc1 920170141 JUJPLXOGXPNWJM-NRFANRHFSA-N 493.610 5.224 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2cc(C)on2)C1=O 920353902 WFULNSYSGXRPRF-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c1 920356749 USTQITUJYOMIDT-QFIPXVFZSA-N 480.565 5.208 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2cccc(C)c2C)cs1 920362107 LSPPHOJBKZUTNS-UHFFFAOYSA-N 491.564 5.784 30 20 JKED N#C[C@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2c(F)cccc2F)cs1 920804085 KSYGXZWCNSWDFA-ZMZPIMSZSA-N 475.929 5.421 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)c1 920805513 CZKWCJQRKLKXNF-AEFFLSMTSA-N 480.540 5.517 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 921131317 IRPLNOIKDLXZDS-OAHLLOKOSA-N 451.960 5.948 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCCCOc2cccc(C(F)(F)F)c2)CC1 921211105 HIZZIUOCHQLZTN-UHFFFAOYSA-N 489.450 5.054 30 20 JKED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1783169045 NWWQNSXGCRTZMM-GRKNLSHJSA-N 496.607 5.173 30 20 JKED CC(C)(C)c1cnc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)cn1 1786040722 NORUVBMTFHYEQN-UHFFFAOYSA-N 481.600 5.026 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)c3ccc(OC)cc3)CCC2)cc1 1786103961 XRGRLTIBVUSRLT-UHFFFAOYSA-N 474.601 5.561 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)CCC2)cc1 1786393646 JGCUWAMNFPMDJH-XMMPIXPASA-N 487.629 5.032 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)CCC2)cc1 1786395305 XRHHCMOUWVZYPN-FQEVSTJZSA-N 490.551 5.055 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3csnc3C)cc2)CCC1)NC(=O)OC(C)(C)C 1787193324 BWBOMDHOSNNJET-FQEVSTJZSA-N 498.649 5.059 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788368046 RQGNOENYMNOBMK-UHFFFAOYSA-N 462.937 5.292 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Nc4ccccc4)cc3)CCC2)c1 1789469892 SLIWQWBOPOVCOT-NHCUHLMSSA-N 466.585 5.562 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ccn4)CCC3)cc2)c1Cl 1790084087 XVHLGHQHBGQTQR-UHFFFAOYSA-N 465.340 5.322 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3)CCC2)cc1 1790569223 IZPNFYUOMRCNAG-IBGZPJMESA-N 463.578 5.024 30 20 JKED Cc1ccc(CSCCC(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)cc1 1791501684 XXGDTMFTYWCFFP-UHFFFAOYSA-N 492.689 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4ccncc4)CCC3)cc2)c1 1792123418 ZSHSECZFOMFKPV-NRFANRHFSA-N 466.585 5.479 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)c1 1792126289 DMFMSKKYDDEYJZ-SFHVURJKSA-N 488.551 5.123 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1792147986 VFDVSDSNMRBRPX-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc2)CCC1 1792326052 GRVJIMRGMILGMC-UHFFFAOYSA-N 471.642 5.418 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2 1792572760 HPGZFMDDSBYAEG-WKCHPHFGSA-N 459.590 5.672 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncccc1-c1ccccc1)C2 1798419784 KQQOASCPSJHLFW-BKFWDETESA-N 473.693 5.052 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@@H]42)C3)c1Cl 1799302864 ZSURHXDFZBEKJX-FKOZLKKJSA-N 454.014 5.070 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1 1799587340 ABNQPIXZJPWHTP-BCDXTJNWSA-N 495.423 5.161 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1803083548 FVYAFZVFHAUCEG-QFQXNSOFSA-N 491.035 5.613 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1803088815 HIJUBWSGIYHVJY-IXCJQBJRSA-N 459.634 5.222 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1803091111 MXXWEQNAAAWHOR-PGRDOPGGSA-N 488.415 5.182 30 20 JKED CO[C@](C)(C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1)c1cccc2ccccc12 1804801345 KCIIUCMUYHUQOV-PMERELPUSA-N 495.623 5.118 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3cccc(F)c3)CC2)C1 1805454869 IEGPMFPVJJOTCQ-UHFFFAOYSA-N 475.608 5.501 30 20 JKED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)C1 1809296109 PRKBGVCINZPFTG-UHFFFAOYSA-N 493.529 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1810443214 FVDVWHIYBUYBNH-PFBJBMPXSA-N 471.645 5.277 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810534811 FLFOQZMITVTBIA-UKILVPOCSA-N 479.690 5.489 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)C2)CC1 1810728909 VJPYKLUZHYAWPU-HXUWFJFHSA-N 468.041 5.743 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1811103637 CXDKNTHQHJNPLE-APWZRJJASA-N 480.461 5.762 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811436873 YMASCGMMKOBVRL-OTPAQWSUSA-N 477.992 5.569 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1811953680 XHRKYCDOPNHRHQ-POGFHVCPSA-N 479.596 5.096 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1812669799 BFMDYOLGSCYYIN-AHWVRZQESA-N 483.603 5.274 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)[nH]n1 1814829681 IBVLZWQGQYVZMS-NRFANRHFSA-N 489.542 5.217 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1815118696 RHUBXBXAGMGCFP-DEOSSOPVSA-N 477.568 5.049 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]n1 1815656894 LSRSUTOUYXCGEP-QGZVFWFLSA-N 497.846 5.051 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818482647 UZJUPAUDYAQDTB-QHCPKHFHSA-N 487.680 5.315 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819149057 LJBNYWTVYFFEBW-OAQYLSRUSA-N 493.709 5.376 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1 1819386192 BKGYYFBFUUQTQL-CYFREDJKSA-N 476.644 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn3c(Cl)cccc3n2)[nH]n1 1819554494 CTKFIJTXCWIOHI-GOSISDBHSA-N 468.989 5.009 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3sccc3Cl)n[nH]2)c1Cl 1819957441 MNABLSWLIJTASZ-MRXNPFEDSA-N 474.373 5.269 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)c1 1820434533 GVBZFJXCDKNGAS-LJQANCHMSA-N 468.344 5.208 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(Br)cc2C)[nH]n1 1821922965 DSYKSRSFZHTKFX-IUODEOHRSA-N 465.417 5.060 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)c(F)c2)[nH]n1 1821923980 ULDWASRSSHHIJQ-KBXCAEBGSA-N 482.478 5.008 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1)C(F)(F)F 1821992782 JFICOFCIVRIANU-MRXNPFEDSA-N 466.847 5.234 30 20 JKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)CC1 1822101570 URVGVSSEKLLGSY-PTLVVNQVSA-N 461.610 5.388 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823213235 RRGWZXYSQZRSIT-UZLBHIALSA-N 477.590 5.117 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[nH]n1 1823420891 JYIOBCOIODGOLW-IBGZPJMESA-N 477.392 5.223 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c(C)c2C(=O)OCC)CC1 1823751555 ZLCXUGXBQCARFJ-XMMPIXPASA-N 499.696 5.045 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccncc2)CC1 1825254721 WEOPVDZAIVUASR-SANMLTNESA-N 481.757 5.075 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2nc(C)sc2C)CC1)c1ccccc1 1825309214 ZXBBFQNBELPLFJ-VPUSJEBWSA-N 491.701 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)s3)CC2)c1 1825353111 SHYBUEWKDCKSSS-UTKZUKDTSA-N 453.583 5.061 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)ccn1 1825432988 ONKNLASQLDMAAY-QHCPKHFHSA-N 493.051 5.451 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827332175 KVCTXODTDIRHQB-HHHXNRCGSA-N 489.660 5.273 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1cccs1 1827680203 MDPARMKOSJPVJX-NELJVSICSA-N 485.049 5.003 30 20 JKED CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)CCCCC1 1827684578 ISWKGVHTERMYMQ-ZJVMWOEPSA-N 456.652 5.077 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)cc(C(F)(F)F)c1 1827985940 XXBVKRWZOOSOHS-LJQANCHMSA-N 493.913 5.371 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)CC2)c1 1828047337 DEPCKPAGRKOWED-HRFSGMKKSA-N 468.601 5.342 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)c2[nH]1 1828209009 HVXORAZHXJAPJV-BREAQWACSA-N 489.641 5.210 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cnc(C)s2)CC1)c1ccccc1 1829035356 PWHSBTKNBQZLGZ-FDFRSNTISA-N 489.685 5.282 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cccs3)CC2)c1Cl 1829688858 KVGFGYWAANMQAR-CZQLGGELSA-N 468.022 5.220 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829837213 FPRBNPFPDBEUBA-NQIIRXRSSA-N 473.614 5.072 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)c1 1829958773 KQOCWCRKPBIKBC-QHCPKHFHSA-N 487.497 5.263 30 20 JKED CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830362727 CUPOTBFUTVSGHU-XNMGPUDCSA-N 475.608 5.053 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1830470861 FLRPFKCAFQFXKA-VWLOTQADSA-N 494.035 5.546 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830627738 MBFANZPCCKNVPI-RUZDIDTESA-N 464.009 5.262 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830655703 JLGUQCMDFZBJLY-IBGZPJMESA-N 473.441 5.285 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830719049 QQUNEINJGURDPV-DEOSSOPVSA-N 489.547 5.005 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721897 SFMMSGJAKKIZGY-XPGGBCAFSA-N 480.008 5.450 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)CC1 1830888300 QSTBYZRYNWYVDG-QHCPKHFHSA-N 453.652 5.540 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C)c2)CC1 1832029879 UNYGHABWVMMQSU-HSZRJFAPSA-N 473.455 5.184 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1832826878 FFYMFQYMQDGBGU-HSZRJFAPSA-N 459.615 5.096 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)CC2)c1 1832850010 BWNPNUMYUZQMDC-ZBLYBZFDSA-N 487.619 5.418 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc(OC)ccc4o3)CC2)CC1 1838306445 ILUCXWNJCHXWCR-UHFFFAOYSA-N 482.621 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(Cl)ccc(Cl)c3O)CC2)CC1 1838373545 VUMSQEDMQJKWEZ-IBGZPJMESA-N 495.447 5.080 30 20 JKED C=CCSCC(=O)N1CCCC12CN(C(=O)[C@@H](c1ccc(OCc3ccccc3)cc1)C(C)C)C2 1841885493 QVMULZPSRMNDQM-HHHXNRCGSA-N 492.685 5.128 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1845982848 XNQVUGMBLRXPLN-GOSISDBHSA-N 472.507 5.527 30 20 JKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c(Cl)c1 10178732 SGVRFJHWTFWAHS-UHFFFAOYSA-O 483.101 6.548 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 10779218 GBDWISWSQRRWRE-VIFPVBQESA-N 462.116 5.121 30 20 JKED O=C(/C(=C(/S)Nc1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F 10830898 QISCIWSZTHHPGK-UHFFFAOYSA-O 457.953 5.835 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cccc(Br)c2)cc1 11084514 JHSGBYXQHWFERG-UHFFFAOYSA-O 485.383 5.258 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2CC)cc1 11251698 JAJLPZZRODLQKT-UHFFFAOYSA-O 489.661 6.062 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(C3SCCS3)cc2)n(-c2ccccc2)c1C 12819766 VHOUCXGNERTITD-UHFFFAOYSA-N 477.611 5.240 30 20 JKED C=CCn1c(SC[C@@H](C#N)CCC#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 15243190 MEFCVPVLNQTPLQ-HXUWFJFHSA-N 464.598 6.190 30 20 JKED C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nnc1-c1ccccc1OC 21334398 FNKILGGZRQZSLU-UHFFFAOYSA-N 486.557 5.445 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(=O)oc2cc3c(cc12)CCC3 21367045 AZVCAGBMKHVCIA-UHFFFAOYSA-N 463.534 5.070 30 20 JKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 21657222 PFPNARZDFAUPGZ-INIZCTEOSA-N 489.439 5.254 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)cc1 22727536 GZNFBNLLPBWXGZ-UHFFFAOYSA-O 481.663 5.869 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 22733103 AIMWZIDRQSTYGZ-UHFFFAOYSA-O 489.448 5.797 30 20 JKED Cn1ccnc1[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 23872544 BSVANCZQWXXOCO-UEKDZROGSA-N 471.376 5.516 30 20 JKED N#Cc1cccc(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1 26369753 YYBVYSLXTVLIBP-UHFFFAOYSA-N 463.950 5.232 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2sc(-c3ccccc3)cc2c1=O 28381637 AVSIHWOSOPQLQB-UHFFFAOYSA-N 463.584 5.050 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 28779397 WWSFCIQGISDQAH-UHFFFAOYSA-O 497.040 6.501 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1ccco1 29550416 ZEIFDRKPFVFOEQ-KRWDZBQOSA-N 462.600 5.995 30 20 JKED COc1ccc(CSc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 36630430 AIMFCGWTHDWLGA-MRXNPFEDSA-N 470.645 5.266 30 20 JKED Cc1cccn2c(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c(-c3ccccc3)nc12 106205466 SLPYMRPZYLGFSH-UHFFFAOYSA-N 492.539 5.285 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC1 195716639 OOMFQXPINXXQGA-QFIPXVFZSA-N 473.623 5.809 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccccc1F 216507245 NPHGJWNTXYVUBV-MRXNPFEDSA-N 452.555 5.228 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccc(Br)cc2n1 302923958 BBHLYXMXSNKONB-UHFFFAOYSA-N 463.360 5.477 30 20 JKED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 303204795 PIRDTYYYPLCBAF-QFIPXVFZSA-N 470.573 5.105 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 410303845 OVUHUJWQUPHMDL-KRWDZBQOSA-N 453.995 6.113 30 20 JKED C=CCn1c(SCc2noc(-c3ccccc3O)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 436706288 PAJWJQJHHUOQBN-UHFFFAOYSA-N 488.594 5.667 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)c2)cc1 480176785 ANKKZSJGPIEVST-DEOSSOPVSA-N 455.514 5.429 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nc2cc(Cl)ccc2c1=O 486422288 LEOYFWSTNKYIMI-OAHLLOKOSA-N 469.994 5.194 30 20 JKED Cc1nc(CSc2ccc(C(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)cc2)cs1 499495944 KNDGRRSZNBXZSX-UHFFFAOYSA-N 485.638 5.126 30 20 JKED Cc1ccc(Br)cc1NC(=O)CNC(=O)c1ccccc1Sc1ccccc1C#N 501863983 RYICBGTZXHQMON-UHFFFAOYSA-N 480.387 5.149 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1Cl 510024344 RNLINOUWZXQBNC-OAQYLSRUSA-N 462.937 5.015 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 510250982 AOEXYQJYHAJCCM-UHFFFAOYSA-N 483.549 5.712 30 20 JKED Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)n1 514175253 WYSXIWCCCQGSKQ-UHFFFAOYSA-N 466.610 5.626 30 20 JKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(OCC(F)(F)F)cc1 517868809 KVHYHWMJNKOCDC-CQSZACIVSA-N 460.481 5.429 30 20 JKED CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 518608314 NFBITYQWTMCLNL-UHFFFAOYSA-N 492.666 5.352 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 518757041 UMWUTQFVDRHSSI-OXQOHEQNSA-N 475.536 5.792 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 519515690 ROQFBSFLHNWKPI-STQMWFEESA-N 453.789 5.903 30 20 JKED Cc1csc([C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)n1 519945835 SORDADUHEXDPRT-SFHVURJKSA-N 463.360 5.557 30 20 JKED CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 520736582 CASNJTJIXLYUTL-DEOSSOPVSA-N 497.016 5.587 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 520855438 NEBFMWSMQYXIPU-XHCCPWGMSA-N 487.625 6.135 30 20 JKED Cc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1ccc(Br)cc1 520889532 LEUNMVOQRVKQRT-KRWDZBQOSA-N 464.150 5.245 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)s2)cc1 520942754 MXPFELYASWFHSI-GOSISDBHSA-N 496.592 5.907 30 20 JKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2Cl)n1 520957983 QMTABNFOKYBJIC-UUOWRZLLSA-N 493.995 5.267 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1C 521299602 VHLYJUJBFMAINR-UHFFFAOYSA-N 484.579 5.315 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C 521480161 TUEDMLQAJLPOFW-LAPQFRIASA-N 476.465 6.305 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 521809026 SYUIDKNOCQEPPJ-RBUKOAKNSA-N 477.630 6.273 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 574305139 XKGQFSLLIJWMQA-UHFFFAOYSA-N 470.532 5.163 30 20 JKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589679782 PZFFGLHBRPAJAK-ZIAGYGMSSA-N 462.356 5.509 30 20 JKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccccc1Br 598583461 FIAPZFDSPUTGPM-ZDUSSCGKSA-N 468.376 5.584 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 603440728 MLGPIIXQAHQJHJ-UHFFFAOYSA-N 478.599 6.245 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12 603530185 OBQWABLGFROPIS-UHFFFAOYSA-N 460.559 5.037 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603573263 YZDXNSZJPBTSNZ-URLYPYJESA-N 498.367 5.731 30 20 JKED CCc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1-c1cccc(Cl)c1 603995596 KLHLZPWNDWEJKU-UHFFFAOYSA-N 469.932 5.464 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 604003604 LEKRNXPPYXWDET-UHFFFAOYSA-N 481.552 5.697 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(-n2cncn2)cc1 604089805 LQKNDTBMDWOGST-INIZCTEOSA-N 458.909 5.467 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCc4[nH]c5ccccc5c4C3)cc2Cl)cc1 604168674 MKUHDZJDXVLRTO-UHFFFAOYSA-N 470.916 5.009 30 20 JKED CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 604446623 RCPSMXAPMDISDM-UHFFFAOYSA-N 457.599 5.765 30 20 JKED Cc1c(C#N)c(NC(=O)CSCc2ccc(Br)cc2)n(Cc2ccco2)c1C 604468881 VBWJKHGKOHWKBI-UHFFFAOYSA-N 458.381 5.252 30 20 JKED Cc1sc2nc(SC[C@@H](C#N)CCC#N)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 608855531 HTNJVXQMLZINGD-QGZVFWFLSA-N 474.586 6.097 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2Cl)cc1 608995376 MHJIKANIOYEBMF-UHFFFAOYSA-N 472.936 5.061 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccc(Cl)c(Cl)c3)Cc3ccccn3)o2)cc1 609059375 IEZRIMZBQHFGBP-UHFFFAOYSA-N 492.362 6.275 30 20 JKED Cc1sc2nc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)nc(O)c2c1C 609072996 QMYJOCGYYCUOJR-UHFFFAOYSA-N 492.988 5.689 30 20 JKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609079180 NVHPWPOWJDXEDD-HXUWFJFHSA-N 470.573 5.296 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609207120 RAYNVWWXWPNWGE-UHFFFAOYSA-N 452.514 5.606 30 20 JKED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)c(F)c1 609255808 MCGICYDURCKGJT-UHFFFAOYSA-N 476.266 5.190 30 20 JKED CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2cnn(C(C)C)c2n1 609378645 ZYTNSKKSNZQOHZ-UHFFFAOYSA-N 475.540 6.412 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 609427549 JCMYFFUYIFHOQT-IRXDYDNUSA-N 461.547 5.809 30 20 JKED COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc(OC)c1OCc1ccccc1 609428422 NQYOXWFFPHSMQX-GOSISDBHSA-N 462.571 5.929 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)nnc1-c1cccc(C)c1 613930965 XRWTTXLEDNWGET-QHCPKHFHSA-N 462.619 5.294 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)nnc1-c1ccccc1OC 613932159 DKNHNMPPVCNFKJ-UHFFFAOYSA-N 468.598 5.198 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC 616029261 RXZHZFXTRYEUNQ-QFIPXVFZSA-N 460.368 5.035 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc2c(F)cc(Br)cc2[nH]1 642175652 UHLNKWMTVVLTSF-YUMQZZPRSA-N 475.202 5.709 30 20 JKED C=CCN(C(=O)c1cnc2ccccn2c1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 644415041 RINZYRSHGPYNGQ-UHFFFAOYSA-N 464.550 5.318 30 20 JKED C=CCn1c(SCc2cccc3cccnc23)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 676456008 FVMNQXJHWNXTOU-UHFFFAOYSA-N 493.658 5.002 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 726321005 BANJYDUGNJNBHK-XKYBLWFHSA-N 451.611 5.103 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(C#N)c(Cl)c1 726407119 OJOQQTHPMNNEQH-LJQANCHMSA-N 491.400 5.162 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@H](C)OC)c1 726413544 UCQDYUPNDSODKD-KSFYIVLOSA-N 484.021 5.015 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\[C@@H](C)c1cccs1 726421733 PCDOKLHTTLTSAN-XKXIVVFUSA-N 466.415 5.078 30 20 JKED N#CCOc1cccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3cccc(OCC#N)c3)C2=O)c1 727744122 CDWZCMJNPGJKQR-CTVDDJEBSA-N 475.548 5.043 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 728995494 CEEIOCXRDONWEA-UHFFFAOYSA-N 466.946 5.330 30 20 JKED C=C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)CC1 729282138 YUAKUTRZQPMCCZ-UHFFFAOYSA-N 481.017 5.528 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 729563203 KJNROGBUFOYCSM-FQEVSTJZSA-N 464.566 5.522 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729571402 JEHDVMBWCAVJGH-UHFFFAOYSA-N 467.463 6.412 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730463106 SEPYNLVKTGXQPZ-OAQYLSRUSA-N 487.547 5.707 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)n2)cc1 730692146 UQNPJSGHGUULEW-CPJSRVTESA-N 476.504 6.093 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cocn3)C2=O)c1 730709751 BZWJWKPFPSLNAQ-OAQYLSRUSA-N 462.575 5.069 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3cccnc3)C2=O)c1 730943518 FAJZYUJCIWPXQU-MBSDFSHPSA-N 474.586 5.120 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCOCC3CC3)C2=O)c1 730945310 PUFUNEKIJCOXRC-SJLGWRBESA-N 485.675 5.181 30 20 JKED O=C(Oc1cc(F)cc(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 730966711 FRYBTCYZPVDPIR-UHFFFAOYSA-N 453.701 5.375 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 731062847 MFPSACQJYHMUHG-IBGZPJMESA-N 472.566 5.416 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2cc(Br)ccc2o1 731068736 IDDWGQWIGAKEPJ-ZDUSSCGKSA-N 473.348 5.385 30 20 JKED CCN(CC)c1ccc(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F 731363369 GILYTVLIXSKISN-KBPBESRZSA-N 457.434 5.381 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cc(Cl)sc2Cl)cs1)c1ccc(F)cc1F 744865794 LMOSCDJCSUMKQA-HWKANZROSA-N 459.326 6.370 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OCCCC(=O)O)cc2)cs1)c1ccc(F)cc1F 745999313 XLTJSRMIVGPDMU-XFFZJAGNSA-N 486.496 5.246 30 20 JKED Cc1cc(/C=C2/CN(Cc3ccccn3)C/C(=C/c3cc(C)c(O)c(C)c3)C2=O)cc(C)c1O 747317351 QXRUDAKXAIGDJD-YQTKFLBZSA-N 454.570 5.278 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCO[C@H](c3cccc(Br)c3)C2)c1=S 748795148 BDVMNMKOQSBKPP-FQEVSTJZSA-N 489.414 5.200 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 749361662 PMWOBVREPRUCEO-UHFFFAOYSA-N 486.000 5.857 30 20 JKED O=C(Nc1ccc(C2=NNC(=Nc3ccccc3C(F)(F)F)SC2)cc1)c1ccccc1 806674070 VDLSUICZTUPAHZ-UHFFFAOYSA-N 454.477 5.686 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N([C@H](C)c2cccnc2)C1=O 837423853 JNBXXMYQWADVIJ-DVECYGJZSA-N 488.613 5.429 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccc(C)cc2)cn1 837875669 SYYQOEJIZYAVAW-QHCPKHFHSA-N 488.613 5.176 30 20 JKED C[C@@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 857838324 LUALFECJNGVDBH-RXMQYKEDSA-N 472.382 6.130 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914545601 DWVOAJYJHQZTRN-IRLDBZIGSA-N 485.556 5.040 30 20 JKED Cc1nc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)sc1-c1ccccc1 914862186 ULPJKWJBZSTWDX-UHFFFAOYSA-N 459.531 5.093 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 915716850 SPVQFRWINKTJRZ-FAHYXWLWSA-N 485.444 5.470 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C#N)cc2)NC(=O)N1Cc1ccccc1 916156611 VUCYVZCFOSRIIJ-DEOSSOPVSA-N 490.485 5.756 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccccn2)C1=O 916204377 DHNORGPFVKVOHU-NRFANRHFSA-N 498.967 5.043 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905763 PLDTTZAQGBGHDQ-KRWDZBQOSA-N 459.552 5.934 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 916917920 LKKDWWDRAGKLMG-FQEVSTJZSA-N 461.543 5.847 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1Cl 916940464 MVKFPJFQVOMDNI-MRXNPFEDSA-N 485.924 5.071 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 916947459 KUKKOEAOJXXZKP-LZYPDUGYSA-N 467.569 5.409 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2cc(Cl)ccc2s1 917045892 CAWRFWMQTDUULW-WBVHZDCISA-N 478.788 5.738 30 20 JKED Cc1c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)sc2ccccc12 917612125 IHONAAFJTMZDAE-UHFFFAOYSA-O 482.654 6.571 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)cc1OC 917677688 IBBZYEGQFUDQNG-NRFANRHFSA-N 499.589 5.065 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](c1ccccc1)C1CC1 917700751 SQEPTUPQTFHIQQ-BDYUSTAISA-N 494.620 5.348 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3sccc3C)C2=O)c1 917704592 MOHRQFVXBFVHSY-NRFANRHFSA-N 490.610 5.097 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918310734 SYLGBUFCGXCRKX-QHCPKHFHSA-N 451.526 5.248 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1c2ccccc2Sc2ccccc21 919795928 PVFCIFYHFIYKSN-UHFFFAOYSA-N 486.597 5.093 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3c(C)noc3C)C2=O)cc1 920354300 AOBYQHGKXPAREX-OAQYLSRUSA-N 484.528 5.039 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cc(C)on2)c1 920357652 ZFTIQTOVENFMBV-NRFANRHFSA-N 484.528 5.039 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(-c3ccccc3)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 920853461 CWMWVZCLIVEIQZ-UHFFFAOYSA-N 455.449 5.430 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)c(F)cc4OC)CCC3)cc2)C1 1785810127 ANGIDUICJCTIRH-UHFFFAOYSA-N 487.369 5.311 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4CCCCO4)cc3)CCC2)ccc1Br 1786646556 HPJOZQJJBUBZLJ-OAQYLSRUSA-N 496.405 5.028 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(N)c(Br)cc3C)CCC2)cc1 1786678317 OCJGDZVPGQBLKU-UHFFFAOYSA-N 488.451 5.007 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)CCC1 1786713050 GXAQROOTSMCYMF-YADHBBJMSA-N 473.617 5.003 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccnc4Cl)cc3)CCC2)c1 1786776193 NNELFWWHIVWWCF-GOSISDBHSA-N 472.976 5.352 30 20 JKED Cn1c(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)cc2ccccc21 1788649235 BLNUJSSBHHVCJP-BUHFOSPRSA-N 483.593 5.427 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)c1 1788726688 GFEVTQLWNUZTPF-UHFFFAOYSA-N 471.410 5.371 30 20 JKED O=C(/C=C/c1cccc(C(F)(F)F)c1)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789574089 PQGGAFDIZGJKNO-ANVJKPAOSA-N 495.501 5.565 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cc1OC 1790275345 FLWLONZMWXWTDN-UHFFFAOYSA-N 489.959 5.290 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccccc3F)cc2)CCC1 1790471725 LTIIQHHUFOQUGZ-QHCPKHFHSA-N 495.595 5.492 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5nc(C)ccc5o4)CCC3)cc2)c(C#N)c1 1790472539 NKSHVJBKIFSFMY-UHFFFAOYSA-N 494.551 5.007 30 20 JKED COc1c(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)ccc(F)c1F 1790724339 MRYUVYYLWHTTEO-VAWYXSNFSA-N 496.535 5.222 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CCC1 1791011192 OBGGNSMXVGESQY-UHFFFAOYSA-N 462.531 5.107 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(C(C)=O)cc3)CCC2)cc1)C(F)(F)F 1791302514 NNLYEZPKCVMYHB-UHFFFAOYSA-N 488.506 5.301 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccccc3)CCC2)cc1 1791593406 QCAYYKDQHIBTJF-HSZRJFAPSA-N 477.605 5.005 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)ccc1O 1792124795 IFHBRJGKLCIIOH-SFHVURJKSA-N 469.541 5.089 30 20 JKED Cc1nc(F)ccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168690 SWOUVIUGZFFSRR-UHFFFAOYSA-N 486.547 5.250 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3C3CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205315 WBGFMRGZMVURQV-ZLNRFVROSA-N 481.637 5.026 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3F)cc2)CCC1 1792226052 UDQQKUDFKIJFAZ-ZHACJKMWSA-N 480.536 5.142 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1)c1ccc(-c2ccc(Cl)cc2)o1 1796894715 XYKKCMJSXLIKNC-JLYJBUFASA-N 495.000 5.352 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@](C)(OC)c1cccc2ccccc12 1799857445 TTWFTYNICVLEAV-DPMSPMENSA-N 460.618 5.108 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cc(C(C)C)c1 1800781328 BXJNUUSMGWUSAJ-KOUNCHBCSA-N 459.428 5.018 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2)c1ccc(F)cc1 1802148412 BMTMUBQNUWIIQP-BEGWYFQMSA-N 461.581 5.144 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)Cc3nc(-c4ccccc4)sc3C)C2)CC1 1806897738 BMVJSUGIQODLMH-FQEVSTJZSA-N 465.663 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C(F)(F)F)cn3)C2)CC1 1807070311 MGJNMQIPUGYNDQ-UHFFFAOYSA-N 479.587 5.257 30 20 JKED C=CCCc1ccc(C(=O)N2CCCC3(CCN(C(=O)/C=C/c4cc5ccccc5o4)CC3)C2)c(O)n1 1807801309 IYSBGQHVQSCHKU-ACCUITESSA-N 499.611 5.210 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1808889112 LISFUJMMUTUZPP-LEAFIULHSA-N 495.784 5.745 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809442586 WGNOZMFTACFXHW-SBUREZEXSA-N 486.062 5.189 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810452861 KGYOHXQJNYYYPB-NSOVKSMOSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810603209 DZVRBZTVQSHSGD-VGOFRKELSA-N 475.967 5.325 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c1 1810692484 XTKIPOULLKWPJD-VEDVITAVSA-N 490.966 5.135 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811402029 BYZFNBHOWYYFPD-GJZUVCINSA-N 499.577 6.044 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)[C@@H]2c2cccnc2)c1 1811936753 YKCMPOFQVGZZER-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1811945099 JHUXNBRIEYZDLM-IRLDBZIGSA-N 473.539 5.412 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/C(=O)c2cccs2)[C@H]1c1cccnc1 1812806483 ZFGZDWVQROZTNL-PPKOGYNDSA-N 495.689 5.585 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813230350 HZLKHGRBPFZKAL-GAJHUEQPSA-N 492.834 5.555 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)[nH]n1 1814831223 VQZWUVAVUWOVCT-QFIPXVFZSA-N 484.000 5.096 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(C(C)=O)cc2)n[nH]1 1814960376 WOOCJKUOLGFYHN-DEOSSOPVSA-N 494.636 5.456 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)sc2c1 1816626160 HAWJCOLTUJDKKX-NRFANRHFSA-N 484.585 5.014 30 20 JKED CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)[nH]n1)c1ccccc1 1816741201 ANVCPSLFHSVTFZ-LADGPHEKSA-N 455.562 5.090 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679079 GCOGTJZAZYUWAF-SFHVURJKSA-N 469.998 5.172 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)[nH]n2)c1 1817745153 URIXDWKEQQNYPN-QPPBQGQZSA-N 477.634 5.040 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(Oc5ccc(Cl)cn5)cc4)sc3C2)C1 1817931837 BKWUCCZGAUPILX-GOSISDBHSA-N 495.004 5.176 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)C3)n[nH]1 1817941614 GFAKRBJEUBEFGS-JOCHJYFZSA-N 462.594 5.198 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(-c4ccccc4)n3)n[nH]2)cc1 1818197984 MPPNMZFMGLZPKS-SANMLTNESA-N 490.567 5.157 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc[nH]c23)n[nH]1)c1ccc(O)cc1 1818772758 KBRUKWAVOODWKU-BWKNWUBXSA-N 495.583 5.100 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)ccc1F 1818813321 SVLDUJXAXZAPFR-LJTKGQTQSA-N 497.530 5.115 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)n[nH]1 1818869315 XGQNNGQHCJDRIL-JENIJYKNSA-N 462.928 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1819306895 HZOJJJCNFFSTPT-NTKDMRAZSA-N 492.023 5.994 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(O)c2)[nH]n1 1819555895 INXHODJPYUQZEF-GOSISDBHSA-N 489.414 5.176 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)[nH]n1 1819557128 YQLXONRIJMYEBD-OAQYLSRUSA-N 450.583 5.033 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1)c1ccc(F)cc1 1821183306 VJKPUAFULUCBPU-AHWVRZQESA-N 487.579 5.361 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821213851 BQRILLVDGVPNPC-LIRRHRJNSA-N 462.953 5.119 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C)oc3C(F)(F)F)[nH]n2)c1 1821322414 MXSMQQFGZGPCDF-IBGZPJMESA-N 485.466 5.130 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)sc2c1 1821527198 AUQRILHEBQIFRR-QFIPXVFZSA-N 483.597 5.619 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(O)cc1 1822465408 PDBUIHHMWXTOOV-GHTZIAJQSA-N 490.526 5.037 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1822581920 URFCLJOYJOFRIC-AREMUKBSSA-N 493.611 5.829 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)cc2c1 1823215598 XMWNXKNDWQOLDG-BVZFJXPGSA-N 480.572 5.446 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824051462 SORZCTPHFGCCNU-FHNXWNBASA-N 475.658 5.276 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1824501348 IHUCQBVGVFTHIO-XMMPIXPASA-N 472.029 5.037 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)CCC1 1824836798 DYSGIHXGGKBQSM-HYGBKTPJSA-N 473.539 5.032 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1824851179 YYGVTPMHUBUBJE-HSZRJFAPSA-N 480.546 5.200 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1cccs1 1827683936 RDDQAFPFTABIKY-SQUSKLHYSA-N 489.012 5.213 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c2s1 1828097490 VALZRDWIKIJDNR-RUZDIDTESA-N 486.641 5.218 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828515155 TUQWUXMXDGBTST-VWLOTQADSA-N 451.586 5.309 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1828519196 YFKMKBOFKQZQSB-PPHZAIPVSA-N 486.591 5.481 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc(Cl)c2)CC1 1828824746 PURWCKZJMICTKI-RPWUZVMVSA-N 459.030 5.107 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2F)CC1 1828906738 FGDAPIGQLCHHLM-XMMPIXPASA-N 456.678 5.110 30 20 JKED COc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1C 1828908939 VUIOUGKVHAKBCJ-VWLOTQADSA-N 482.741 5.288 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)nc3ccccn23)CC1)c1ccccc1 1829033255 UYXNXCGGADBOPA-SVBPBHIXSA-N 496.655 5.073 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)CC2)cc1C#N 1830100087 WHDWXBRBUDVOTC-VWLOTQADSA-N 495.570 5.171 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c(C)c1 1830693282 AMZVTHWRCDMJES-MHZLTWQESA-N 487.644 5.050 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 1830720709 WAAROHZJUROYSD-LJQANCHMSA-N 476.429 5.474 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3Cc4ccccc4C3)CC2)c(Cl)c1 1830725008 XESADOYEGXESQZ-MHZLTWQESA-N 490.047 5.250 30 20 JKED COc1ccc(Cl)cc1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1831295539 XRULEDPRQVWCGT-RUZDIDTESA-N 494.035 5.005 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1831845007 NNSGWGZCZZMKSM-IIBYNOLFSA-N 489.479 5.154 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1831848155 RRWWOALTBSWFNN-PXAZEXFGSA-N 463.858 5.198 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1832028445 OGZCRKQULCYQHQ-HHHXNRCGSA-N 473.661 5.333 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(C)cc(C)cc3C)CC2)c1 1832576835 SYZDZYKDPYTKRK-SANMLTNESA-N 473.617 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1832634307 UPNLTMYHKJIOFW-CLOONOSVSA-N 497.561 5.880 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635678 OIUAVOOGSSXYSZ-KBMIEXCESA-N 494.035 5.523 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3OC(F)F)CC2)c1 1832678517 QHUSFUFRZBANLG-YADARESESA-N 495.570 5.462 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCc3ccc(C)c4ccccc34)CC2)CC1 1838750124 XIDMYBBMBQEAJB-QHCPKHFHSA-N 476.661 5.292 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)CC1 1838750917 XCJMOOXBVJFJKI-GOSISDBHSA-N 493.475 5.236 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)C1 1845722492 JMJUZGBLHXZTKZ-UHFFFAOYSA-N 489.641 5.213 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(CC)cc2)c1C 10168267 WUSZEDBQCAUJMD-UHFFFAOYSA-O 478.638 5.326 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)c(C)s1 10172453 MKIVPOYYEHHOAX-UHFFFAOYSA-O 475.615 6.201 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173422 RAOHOLJOSLNAJO-UHFFFAOYSA-O 469.605 6.317 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 10173886 KVMMKFKUCGWSRE-UHFFFAOYSA-O 469.577 5.999 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccc(CC)cc2)cc1 10178935 DHYBWUBSEUBQGU-UHFFFAOYSA-O 452.043 6.420 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1CCCc1ccccc1)C(=O)Nc1ccccc1C#N 10415579 WVONNCGBNWKXFM-LJQANCHMSA-N 468.582 5.020 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccs1 11182378 WMAOOGPKQGPZJQ-PUAOIOHZSA-N 495.626 5.329 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)nnc1-c1ccc(Cl)cc1 11450120 KYVKIDRHODHCQS-HNNXBMFYSA-N 485.009 5.237 30 20 JKED Cc1nc(CSc2ccc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)cs1 11698968 AWEDVZNWRWUXAL-UHFFFAOYSA-N 497.667 5.741 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1 15247993 NLBXKOIAVPRWLT-UHFFFAOYSA-O 471.216 6.639 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccc(F)cc1 18773112 NQYMWPDEQRGALL-INIZCTEOSA-N 466.582 5.618 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nc2cc(Cl)ccc2c1=O 21831863 KRCBBGYILNYNQQ-HUUCEWRRSA-N 467.978 5.340 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccoc1C 21925474 CMVCIRDOUXTNRU-NSHDSACASA-N 471.797 6.112 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(N(C)C)cc2)cc1 22730300 QCZURMBQHAHKLG-UHFFFAOYSA-O 486.564 5.091 30 20 JKED C[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)C(=O)N(CCC#N)c1ccc(F)cc1 23523317 NLKFCLSPBRVEMT-INIZCTEOSA-N 492.601 5.229 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 23602757 IXALFMAKDKBYKH-QFIPXVFZSA-N 496.640 5.433 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(OC(F)F)cc2)c1 28781022 PTFLOQUJHIBIRI-UHFFFAOYSA-O 482.359 6.242 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)cc1 33167561 GMFPFOBFEPBZEP-UHFFFAOYSA-N 478.335 5.847 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(NC(=O)CC(C)C)c1 195686983 PESTWJXOTNZVNR-UHFFFAOYSA-N 456.546 5.965 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 303264174 FVLRWQFHIGNVTR-MRXNPFEDSA-N 490.576 6.095 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2F)c1 481652605 DCKSGJVKVKIXDE-UHFFFAOYSA-N 472.520 5.159 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)cc2F)c1 481692364 XLJZRYDPTOAAHL-DEOSSOPVSA-N 477.511 5.629 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)c2)cc1 486588890 WZUPKBIXOSMKQY-NRFANRHFSA-N 468.488 5.559 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 490627031 MYJCFPAKAWHYIF-OAQYLSRUSA-N 486.547 5.353 30 20 JKED CCOc1ccc(N(C(=O)CCc2c(C)nc(O)c(C#N)c2C)c2nc3ccccc3s2)cc1 499102333 SBTWXIJXFYUPFO-UHFFFAOYSA-N 472.570 5.582 30 20 JKED CC(=O)N[C@H](CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)c1ccc(Cl)cc1 501163586 RMMSDFHCSDNPCQ-XMMPIXPASA-N 463.940 5.460 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3nc(C)cs3)cc2)nnc1-c1ccc(Cl)cc1 509276704 ZTOCSZLYUQLBDD-UHFFFAOYSA-N 482.034 5.947 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1Cl 510007778 XEFBOAQCBGIDLH-NZQKXSOJSA-N 473.001 6.974 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(F)c1 510010269 PKQAKZMRVARSBP-LADGPHEKSA-N 473.939 5.779 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(OCC(F)(F)C(F)F)nc3)c2)c1 511507344 LPZJAILVTVABFO-UHFFFAOYSA-N 459.399 5.064 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)c1 512614342 PNZNVIGIRYJABN-UHFFFAOYSA-N 466.472 5.176 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cs2)cc1 513677312 UMYKFJGONRCBMH-INIZCTEOSA-N 476.583 5.288 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(OC(F)F)c(OC)c1 515321496 YQPRLWJZPLPPNF-UHFFFAOYSA-N 473.289 5.096 30 20 JKED N#CCCCOc1cccc(NCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c1 515661008 WJDLIZAZGKQBOJ-FQEVSTJZSA-N 450.589 5.282 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 515993607 UTCCKRBXYAYLRG-UHFFFAOYSA-N 468.532 5.371 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3NC(=O)c3cccc(C)c3)n2)cc1 516270026 KSYUVUFDHOKZID-QFIPXVFZSA-N 467.550 5.870 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccc(C)cc2)cc1 518586501 DHKSFTIDDTYBOS-NDEPHWFRSA-N 491.547 5.512 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 518647795 HGUUJIPHSNXQIT-UHFFFAOYSA-N 496.375 6.052 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cccc(OCc2ccccc2C#N)c1 518782390 WKAFKEOQUPFNKO-JOCHJYFZSA-N 468.601 5.244 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc2)cc1 519989290 LVXJDLATRAZKNK-UHFFFAOYSA-N 475.936 5.282 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 520179076 MJJYERCWSGLQSG-UHFFFAOYSA-N 462.604 5.264 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 520937912 LJJDFCRCZPISMM-RBUKOAKNSA-N 490.604 6.284 30 20 JKED Cn1ccnc1[C@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccccc1F 521821877 CAKURJXIPUDHJB-IEBWSBKVSA-N 461.381 5.310 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cc1 522450923 RVUBFGBZTBDXJQ-HXOBKFHXSA-N 485.540 5.205 30 20 JKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc2ccccc2n1C(F)F 522489195 NGINXLALPRKVND-HNNXBMFYSA-N 475.480 5.750 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CSCC(=O)c3ccc(Cl)cc3)c2)c1 523312965 IONZSZFHXBMQJU-UHFFFAOYSA-N 450.947 5.345 30 20 JKED CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 524578929 DHZBUZQKOOCWRI-FQEVSTJZSA-N 473.404 5.246 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 558795848 QFKZOSHUNDUVIB-AHKZPQOWSA-N 457.549 5.577 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590331735 ITTQXVRMMKXVCF-HOTGVXAUSA-N 478.408 6.308 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 590367948 XGEVWUAVEIMKIU-UHFFFAOYSA-N 495.963 6.034 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)cn2)cc1 603809604 IUAXIJVJVHLZRW-UHFFFAOYSA-N 455.449 5.394 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603829302 DZLIUYXZKFUZSP-UHFFFAOYSA-N 463.510 5.385 30 20 JKED Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604026886 KQPBJCWZVVHQEC-UHFFFAOYSA-N 454.935 5.115 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc(OC)c1OC 609008270 WJIKZGNMZNXWLZ-OAHLLOKOSA-N 480.571 5.122 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F 609078369 LMXKVSIWCVXBNI-UHFFFAOYSA-N 478.543 5.320 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 609078628 DFSCNLCWCCYWAY-FQEVSTJZSA-N 466.545 5.251 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 609078730 KWMDRZNFMJJIEE-HSZRJFAPSA-N 461.587 5.720 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 609191464 BIICDHWLMDPNHT-UHFFFAOYSA-N 461.513 5.417 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)cc2Cl)cc1 609207186 KIWNUCKKOZHPIK-HXUWFJFHSA-N 493.926 5.571 30 20 JKED CC(C)c1ccc(C2(CNC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CCCC2)cc1 609405083 JFGGQELLDAMCHW-UHFFFAOYSA-N 482.584 5.436 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC 613402522 CJNRCVMHJUNTEJ-GFCCVEGCSA-N 465.756 5.610 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cs1 613406940 BBNOXCMSVVBZBB-QGZVFWFLSA-N 456.017 6.497 30 20 JKED O=c1[nH]c(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc2cc(-c3ccc(F)cc3)sc12 618448803 BUVGPUVCEWUSJL-VXGBXAGGSA-N 479.421 5.353 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCc1ccco1)c1nc(-c2c(F)cccc2F)cs1 620304587 QAOXOLCTSYJYSM-INIZCTEOSA-N 452.507 6.464 30 20 JKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N[C@@H](c1cc(F)ccc1F)C(F)F 622565986 ARCLCGNGSGOZBZ-KRWDZBQOSA-N 462.390 5.772 30 20 JKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1-c1ccc(Br)cc1 726319167 AJNOVQDLYXSIQO-FQEVSTJZSA-N 472.342 5.569 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 726393403 OIOAPRNJCUDCAA-DJJJIMSYSA-N 498.407 5.518 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 726397748 IUKNVIWKTJZTRW-OXQOHEQNSA-N 493.551 5.399 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)S/C1=N/[C@@H](C)c1cccs1 726419761 GSOVQLTXSZGLTK-JTAMSWEXSA-N 480.453 5.310 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@H](C)c1cccs1 726419961 KHMXRTOKMMTBNT-WIFMXCLRSA-N 494.082 5.382 30 20 JKED CC(C)c1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)cc1 726571299 RHXDVMVSIVIXHF-UHFFFAOYSA-O 450.971 5.651 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OCCCC#N 726626720 KJQTXZAYCPXXHS-JAIQZWGSSA-N 469.975 5.309 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3Cl)n2)n(C2CCCCC2)c1C 727564478 ZGFBLSIZNOYCRJ-UHFFFAOYSA-N 497.020 6.054 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCn3c(S)nnc3-c3cccs3)cc2Cl)c1 728082069 KKBIBGTWZFIBCH-UHFFFAOYSA-N 496.017 5.428 30 20 JKED Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C)n1Cc1ccco1 728111076 ZDPFFNRXWUPTRN-IBGZPJMESA-N 472.497 5.218 30 20 JKED C#Cc1cccc(N(CC)C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)c1 728481117 JTWDBCVRWHZELN-UHFFFAOYSA-N 459.402 5.398 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CCCCC#N)C2=O)c1 728775793 CSQLRCLZSZFHJS-DEOSSOPVSA-N 486.597 5.503 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 729375588 MBUMGWQJUXNLFH-KKSFZXQISA-N 471.513 5.215 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ncccc2C)cc1 729634866 VRSVJKCUDABGEV-XMMPIXPASA-N 488.613 5.122 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1 729887992 AAMAWCMESWOIGK-MJGOQNOKSA-N 455.942 5.034 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O 730461385 NQGHGFVUUOKJRA-LJQANCHMSA-N 463.937 5.439 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c3c2CCC3)c(F)c1 730687538 OQJVHEYQOGFGJH-OAQYLSRUSA-N 494.526 5.562 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3cocn3)C2=O)cc1 730710760 RHZIAFUWWQUUCR-DEOSSOPVSA-N 499.596 5.054 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cocn2)C1=O)Nc1ccccc1 730715482 GETCBSIVCLPXIY-SFHVURJKSA-N 475.357 5.142 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 730718799 PVVBUAGUDCBRLC-OXJNMPFZSA-N 479.631 5.130 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)cc1 730721041 YIXSCXNYYVNYJA-HSZRJFAPSA-N 470.554 5.297 30 20 JKED N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 730920552 NWOFMMQRENTOFY-GOSISDBHSA-N 469.324 5.299 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)oc2ccc(Br)cc12 731063965 NYBJEJHHHVGBTO-CYBMUJFWSA-N 487.375 5.694 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 731072525 LAOXWOFONOGBAH-UONOGXRCSA-N 467.374 5.194 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 731072526 LAOXWOFONOGBAH-ZIAGYGMSSA-N 467.374 5.194 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCCc2ccccc2)C1=O)Nc1cccc(O)c1 731308110 XDNMJRVGKOKDDK-HSZRJFAPSA-N 477.561 5.124 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1ccc(C)s1 731308472 LFSIIHDHHPYKLL-KSFYIVLOSA-N 495.626 5.492 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1C 731310453 IIJBFLDMQUNMBQ-NRFANRHFSA-N 465.600 5.231 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cc(C)n(-c3nccs3)c2C)c1 744766086 MQFMZARNSKDFOO-UHFFFAOYSA-N 466.636 5.324 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 744916772 MJWOCLVESPSHJK-UHFFFAOYSA-N 464.525 5.177 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cc3ccccc3[nH]2)C1=O)NC1CC1 746695284 DMNJQCFTSGKGKS-XMMPIXPASA-N 468.582 5.122 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746998941 GRBULUWAJBCAMF-HFZDXXHNSA-N 479.605 6.132 30 20 JKED N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)Nc1ccccc1Oc1ccccc1 747112454 XUJIKXBADRZNMM-LJQANCHMSA-N 489.578 5.776 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 747398660 AAVPOYQEXFZCRQ-SKCUWOTOSA-N 499.567 5.016 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(CCc3nccs3)C2=O)cc1 747599485 JSSCVBCTAMCDCR-NRFANRHFSA-N 478.643 5.271 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cscn3)C2=O)c1 747603326 SMHAIHSXQACWNU-NRFANRHFSA-N 464.616 5.229 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 749337599 HFMMSHUCKOWEEE-MRXNPFEDSA-N 474.369 5.865 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)cc1 825891692 OXGWXKHFVYKTBM-SFHVURJKSA-N 467.529 5.043 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(OC[C@H]2CCCO2)cc1 839392676 PWLPDNKOOZMRAD-OAQYLSRUSA-N 479.989 5.527 30 20 JKED CC(C)Cn1cc([C@@H]2N(C(=O)c3ccccc3Sc3ccccc3C#N)CC23CCOCC3)cn1 849529043 CBOITRQKLJARHH-SANMLTNESA-N 486.641 5.556 30 20 JKED O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 857496018 IPTWHGIGGLJFRX-KRWDZBQOSA-N 465.365 5.437 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCCC#N)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 904509966 ZVCFUMWBIVYCKW-SFHVURJKSA-N 453.474 5.323 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)[C@@H](C)c1ccc(C#N)cc1 914509140 DEQNSBRILGZTQL-SFHVURJKSA-N 482.005 5.260 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)CC1 914849953 FAXYQGOUTAMCJU-JCMHNJIXSA-N 476.939 5.106 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2coc(-c3cccc(Cl)c3)n2)CC1 914957027 SPYNLGOTJVALOB-UHFFFAOYSA-N 478.892 5.074 30 20 JKED CCOc1ccc(-c2nc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 914994889 XDRZCMXLRSTDGC-UHFFFAOYSA-N 481.599 5.206 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 915353316 MUOUHOPEECEBPC-QHCPKHFHSA-N 492.501 5.351 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 916204423 FMVLBBXLZZYMAD-HSZRJFAPSA-N 461.587 5.227 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)c1 916209531 MLGMRGDQBVPXGB-JOCHJYFZSA-N 481.524 5.134 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(Cc3ccccn3)C2=O)cc1 916217197 HPNYQUZWILNZHF-OAQYLSRUSA-N 498.530 5.569 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NN(Cc2ccccc2)Cc2ccccc2)cs1 916367697 LFXGNSCCLBFBQF-UHFFFAOYSA-N 468.626 6.481 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)CC1=O 916845923 WMWNDOCKOVZRAT-FCEWJHQRSA-N 488.613 5.019 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)C(=O)Nc1ccccc1Oc1ccccc1 916905014 HRRPYEUAYSQAJQ-NRFANRHFSA-N 484.487 5.338 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)[C@@H](C#N)C(=O)Nc4cccc5ccccc45)CC3)c2c1C 916915687 HHYUEYOMZGDZPQ-OAQYLSRUSA-N 483.597 5.025 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 916930523 YVCCPVFPKWNCKA-SFHVURJKSA-N 485.392 6.255 30 20 JKED COc1ccc(Nc2nc(Cl)c(C=Nn3cnnc3SCc3ccc(Cl)cc3)s2)cc1 917030832 NESHUEBNXZVLDU-UHFFFAOYSA-N 491.429 5.968 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045032 XAKPCZJADXYWOE-MAUKXSAKSA-N 489.494 5.112 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 917426747 OPBNRKZDLRYBQP-HNNXBMFYSA-N 485.924 5.071 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 917508689 UJKWMYFVZUVKLE-TZMCWYRMSA-N 467.374 5.187 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1 918566079 NZDDTVHVRSZVJT-IBGZPJMESA-N 464.750 6.492 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 919893565 HRZTWKZIHYULHD-UHFFFAOYSA-N 457.511 5.107 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C)[nH]c4ccc(Br)cc34)n2)cc1 920138753 IGLSTBRBLRAIPH-IBGZPJMESA-N 480.387 5.790 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 920357677 ZIAQGHXJDUMCMZ-XMMPIXPASA-N 484.581 5.605 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cc(C)on3)C2=O)c1 920359662 PXSRVEKNEBZHSV-QHCPKHFHSA-N 492.601 5.276 30 20 JKED Cc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)n1 1786039116 TYAFCSRVQYPNDE-JQIJEIRASA-N 464.569 5.042 30 20 JKED C#CC(=O)NC1(c2ccc(NC(=O)CCCCCCCCNC(=O)OC(C)(C)C)cc2)CCC1 1786078086 DRRQJZAWTXJLQN-UHFFFAOYSA-N 469.626 5.009 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)Cn4ccc5c(F)cccc54)cc3)CCC2)cc1 1786106158 NPFDWEJELFPZHE-UHFFFAOYSA-N 480.543 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3COc4ccccc4O3)cc2)CCC1 1786309247 IYSFJTDONKYSJZ-XZOQPEGZSA-N 460.574 5.119 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)c(OCC)c3F)CCC2)cc1 1786367479 QRKHJTJZZOXDOP-UHFFFAOYSA-N 490.522 5.233 30 20 JKED Cc1noc(C)c1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1786910797 PMNDGCLFQZUEJZ-UHFFFAOYSA-N 476.964 5.197 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc[nH]4)cc3)CCC2)cc(C(F)(F)F)c1 1788191332 GZUQFRFPSIZYQH-UHFFFAOYSA-N 480.490 5.286 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5ccccc5n4C)cc3)CCC2)c(C#N)c1 1788886283 OUDUBTOGHNWFBV-UHFFFAOYSA-N 492.579 5.049 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4c(O)cccc34)CCC2)cc1 1789458365 YAIQMQPRJLRWEE-NRFANRHFSA-N 455.558 5.457 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)Cc3ccc(C(F)(F)F)cc3)CCC2)cc1 1789577238 NMFGMVCSKUPXCZ-OKCVXOCRSA-N 483.490 5.094 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccncc4)[nH]n3)cc2)CCC1 1789793939 GEGBAXAQWDIBCD-UHFFFAOYSA-N 499.691 5.271 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3sc(Br)cc3C)cc2)CCC1 1790151741 ZNFDPLXYISFFEZ-HNNXBMFYSA-N 492.439 5.368 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(C)n1 1790708016 ABTBWAUMLMRBJY-UHFFFAOYSA-N 466.585 5.145 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cnc5[nH]ccc5c4)CCC3)cc2)cc1 1790708730 QDLKBFKHRGZMQC-UHFFFAOYSA-N 477.568 5.009 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncccc5c4)CCC3)cc2)c1 1790763652 APYLUDUEYPKRQE-UHFFFAOYSA-N 464.500 5.307 30 20 JKED CCCCCc1ncc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)s1 1791078407 MOXIWQRIKGEDEO-JVWAILMASA-N 478.618 5.336 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)n3C)CCC2)cc1 1791299657 VINIOGYQGVCVRI-UHFFFAOYSA-N 455.427 5.003 30 20 JKED COc1ccccc1CC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792126232 BYZCUYCSTXWGIF-HXUWFJFHSA-N 467.569 5.313 30 20 JKED CC(=O)Nc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1792133079 YHZFOFINLFEBNM-IBGZPJMESA-N 480.568 5.334 30 20 JKED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccc(C(F)(F)F)cc4)cc2)C3)CC1 1795850626 LWIMRXLRMFLDHU-ACDBMABISA-N 483.490 5.053 30 20 JKED CO[C@@](C)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2)c1cccc2ccccc12 1799858005 GZFQARJHTPXBHK-GDAXGPMHSA-N 495.623 5.280 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(Cl)cccc2Cl)C3)c(Cl)c1 1800690279 DVVSAHIWCFMXLA-QDMKHBRRSA-N 462.764 5.084 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1802501555 ZPMIKOMDNUYDSL-NFBKMPQASA-N 454.014 5.355 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)c1 1803899196 ABWGDPFXNHWPRG-BJWYYQGGSA-N 462.764 5.084 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)/C=C/c4cc5ccccc5o4)CC3)C2)cc1 1804759117 SPRHRSABSWVESC-ACCUITESSA-N 481.596 5.182 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@H]4C[C@H]4c4ccc(Cl)cc4)CC3)C2)c1 1805328350 PUBZSCFSQIWMBT-UIOOFZCWSA-N 490.047 5.179 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cn3ccc4c(F)cccc43)C2)CC1 1805460309 CAADAYIWNJVSEI-UHFFFAOYSA-N 453.602 5.004 30 20 JKED Cc1cccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)[nH]c12 1809748651 VOQXPMFGNKYFFI-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3csc4c3CCCC4)[C@H]2c2cccnc2)c1 1809786919 LGPRHKHFKDSDOJ-AUZMWRNASA-N 498.652 5.282 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1810446975 IQQBNIFAXNFBRJ-ATAZIPLOSA-N 491.635 5.088 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3ccccc32)[C@@H]1c1cccnc1)c1ccccc1 1810447375 LYZRGNCYJKTTHT-ZYVKACNBSA-N 491.635 5.015 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811270541 AFUCCJKJIFKGMM-FBQMUFCQSA-N 470.617 5.021 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1812451094 HKUBMGKVLBITEM-GERBCZOESA-N 474.432 5.239 30 20 JKED CC#C[C@@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1)c1ccc(O)cc1 1812700902 RJHLAZJVEIYDPG-PDTKEWMGSA-N 489.660 5.207 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1813869635 LNRHZHPKXMJSET-QPUQPBFLSA-N 486.660 5.635 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)[nH]n1 1814443315 SKCVPTVOSZLYPI-INIZCTEOSA-N 465.520 5.065 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1Cl 1814590318 CFTVMZFYOZPNRH-JOCHJYFZSA-N 461.953 5.057 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)[nH]n1 1814828980 IEGXSZNXYMWUKA-HSZRJFAPSA-N 460.578 5.003 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2OC(F)F)[nH]n1 1814830016 MRBMZLFFEAEICB-IBGZPJMESA-N 458.509 5.085 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4cccc(F)c4)CC3)n[nH]2)c(Cl)c1 1815618279 JSVAEMAQMGAZRA-QFIPXVFZSA-N 491.954 5.112 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC)n[nH]1 1816775279 BIXLAPUQBUGCFZ-PZJWPPBQSA-N 491.677 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)sc2C1 1817396943 URCCBYKUQYYAFE-QGZVFWFLSA-N 494.617 5.025 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818775026 IOKVBIANMVUXJJ-KBXCAEBGSA-N 488.013 5.385 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)n[nH]1 1818816749 UTXDPWDCXPHKFU-IGQYLQMFSA-N 487.604 5.374 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)n[nH]1 1818868322 SAJGMFKYAPCFSX-BESBDSHLSA-N 467.013 5.627 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3[nH]2)n[nH]1 1818979013 KQOAAEAORBMWEF-NRFANRHFSA-N 496.409 5.153 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985208 SGBLSUVSYCHIIV-UYAOXDASSA-N 493.555 5.170 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)[nH]n1 1819310991 HDPQKZCMVASGPZ-OXQOHEQNSA-N 456.974 5.146 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819481107 MQCBBOLBZBYYQV-AZVXTCMLSA-N 455.603 5.111 30 20 JKED CCOc1ccccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1820454889 SSDKOYZOBXJIFU-FDDCHVKYSA-N 471.561 5.055 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c1 1821126301 PGOOXBLHOPUMSQ-NYHFZMIOSA-N 479.943 5.449 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1)C(F)(F)F 1821157769 UNMHDWWIMSWCOF-OAQYLSRUSA-N 485.510 5.242 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c(Cl)c1 1821279738 GTBCPMYKTMUVKL-FQEVSTJZSA-N 486.334 5.347 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)ccc2[nH]1 1821585499 IKRDRIGELBKBHO-QFIPXVFZSA-N 486.963 5.344 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821610389 AXFWLLCWPMDTSH-VGSWGCGISA-N 456.546 5.827 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CCc4ccccc43)n[nH]2)cc1C#N 1822525537 GMZYMMWBHJEZFF-ZCYQVOJMSA-N 497.599 5.104 30 20 JKED COc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1C 1823115099 TWTCFACNPMQVFE-JOCHJYFZSA-N 480.685 5.084 30 20 JKED Cc1cc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)[nH]c2cc1C 1823215069 MDNJXDFPDCPDRZ-MHECFPHRSA-N 495.587 5.150 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1824272202 ZNYBTHSYYZZCMW-SANMLTNESA-N 483.773 5.235 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 1824760999 FDIZEVRDXFXSMS-DQEYMECFSA-N 497.680 5.006 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)CC2)c1 1824778681 IOZZIWGSZFEPGU-ZTOMLWHTSA-N 494.639 5.338 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1826315791 YWSXYHMNFZTFKU-IDSBPIFPSA-N 478.658 5.301 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CC2)CC1 1826680464 DWOKDLWQPYNFOY-QHCPKHFHSA-N 493.007 5.064 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1 1827413037 DTLAWHAROJBWAZ-QFIPXVFZSA-N 461.587 5.222 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c[nH]c4ccc(Br)cc34)CC2)C1 1828462309 DYUHHZADMFDWRP-XMMPIXPASA-N 498.465 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1 1828827311 KWWSVXYHSJZXMG-GOTSBHOMSA-N 460.565 5.290 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CCC)NC(=O)c2ccccc2)CC1 1829068133 GQPILKSBIAOMLK-UIOOFZCWSA-N 495.708 5.197 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1829068366 SBBWNGFHXPRFSY-AREMUKBSSA-N 479.665 5.331 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829685695 NUGGMEPBWQFCCG-CLOONOSVSA-N 494.035 5.257 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1830073396 SSZZDKAWUHFHLT-ZBLYBZFDSA-N 457.618 5.423 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1830415082 JYAIDSFXSHTHEM-XMSQKQJNSA-N 487.044 5.164 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Br)c2F)CC1 1830503236 JGTGCZOHZSTYRM-OXQOHEQNSA-N 465.407 5.034 30 20 JKED COc1ccc(Cl)cc1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1831295542 XRULEDPRQVWCGT-VWLOTQADSA-N 494.035 5.005 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1831369889 GFBHRDCHKTWNEP-QFQXNSOFSA-N 475.633 5.203 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 1831373863 UXACTDCVGDXMIH-JTHBVZDNSA-N 489.701 5.046 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831448957 SUUGRYUXACOGKT-HXUWFJFHSA-N 472.498 5.079 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1)C(F)(F)F 1831450853 GRYCDPIRMZAYLP-IBGZPJMESA-N 493.492 5.440 30 20 JKED COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1832538767 FWNRTJQTSFMXKS-IBVKSMDESA-N 473.617 5.178 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)CC1 1833076504 OONHEKTVRCOALB-UHFFFAOYSA-N 485.669 5.218 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)/C=C/c3c[nH]c4cc(C)ccc34)CC2)CC1 1833079983 MYIZXVWHWHJHEH-CSKARUKUSA-N 490.692 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1834464434 ZPEZOXDIODSNTB-MLKSZZLFSA-N 479.709 5.156 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)C1 1844242890 WPKXVFAIALMJDC-NZQKXSOJSA-N 481.637 5.109 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3cccc(Br)c3)cc1)C2 1846012502 FQOUFULXWAEQOI-UHFFFAOYSA-N 489.360 5.145 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1ccccc1 9446933 SWCZDDAWIPNZRP-UHFFFAOYSA-N 470.554 5.770 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174202 JTWMCRMJFDODOU-UHFFFAOYSA-O 493.596 6.554 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113659 PBDHDHBCIRIXJE-UHFFFAOYSA-O 493.571 6.570 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2c(C)cccc2C)cc1 11153258 PVOSGRAJIOUPMY-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccccc2CC)c1C 11165039 WQCQRHKTEQBACD-UHFFFAOYSA-O 478.638 5.326 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc3ncccc23)c1 15979910 YTCFXBIZUYKPTD-UHFFFAOYSA-N 477.973 5.522 30 20 JKED C=CCc1cc(C(=O)OCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)cc(OC)c1OC 16171528 WVANKIYTMXTFFH-UHFFFAOYSA-N 486.977 5.584 30 20 JKED C=CCn1c(SCCCC(=O)Nc2ccccc2C(C)=O)nnc1-c1ccc(Cl)cc1 16862720 JJXLZNVQRSAYJK-UHFFFAOYSA-N 454.983 5.498 30 20 JKED COc1ccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2ccc(Cl)cc2)cc1 20067882 LJWABRRSQHZRAE-UHFFFAOYSA-N 489.988 5.393 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cccc(OC)c1 20170756 DLOCKQXHZQSTKW-INIZCTEOSA-N 477.615 5.383 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1cccc2ccccc12 22693434 HGINXXQEGFCTCN-UHFFFAOYSA-O 470.574 5.957 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 22695240 ODCAEYFNBZXXFB-UHFFFAOYSA-O 462.378 5.436 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1ccc(C)cc1 22730885 LQDXNPICQCYVKA-UHFFFAOYSA-O 454.413 5.658 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1C1CC1 22990026 WUQRLTYZSRZICV-INIZCTEOSA-N 450.011 6.246 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)c1C#N 28491474 XKIQSDQMHWKCFS-KRWDZBQOSA-N 471.582 5.327 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1[C@@H]1COc2ccccc2O1 32324843 APRKIJZDCORQCU-LEWJYISDSA-N 485.009 5.385 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)nc2sccc2c1=O 36806254 OLDLVCPZKFGPGV-FQEVSTJZSA-N 490.610 5.015 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1Cl 107646907 ARISNEYVWOEZNY-DEOSSOPVSA-N 494.016 5.422 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2COC)c1 107878285 RPPTWNIJJAMFPH-UHFFFAOYSA-N 470.978 5.120 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 255930445 ITVBNEVDYSCXLT-IAGOWNOFSA-N 469.010 5.155 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 303141239 DQCFBZGMPZPCQU-QGZVFWFLSA-N 493.679 5.912 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1 303399262 QKSYXPIKQHVVNM-UHFFFAOYSA-N 466.335 5.596 30 20 JKED C=CCN(C(=O)CCc1ccc(OC(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 490440737 XXHLMIUFOVEMPB-UHFFFAOYSA-N 459.474 5.472 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502268162 MVTCNOLHQUIKHX-UHFFFAOYSA-N 474.630 5.394 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Sc4ccc(Cl)cc4)cc3)CC2)c1 502676668 CFUGPPPPNDAWKQ-UHFFFAOYSA-N 491.016 6.245 30 20 JKED Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1 503149694 DZPKMNUZQOIWIP-LADGPHEKSA-N 486.959 5.148 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 505616532 APJQIRKLOGMUTQ-UHFFFAOYSA-N 466.419 5.366 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)c1 510374701 HZYYNVHASLMPMM-LJQANCHMSA-N 475.408 5.038 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(CN3CCCC3)c2)cc1 511441290 UUDMCRRUABTHPG-UHFFFAOYSA-N 454.574 5.249 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 513900197 SLXDDWOZVHUZDF-UHFFFAOYSA-N 456.565 5.074 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)c2C#N)C1 514704120 MTVQIELKTUHMEG-UZLBHIALSA-N 451.592 5.141 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)COc3cccc(NC(=O)c4ccco4)c3)cc2Cl)cc1 516005184 ACXXIHKZECFSJG-UHFFFAOYSA-N 487.899 5.867 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1 516270386 VVGRKMDDECJRDA-IBGZPJMESA-N 455.495 5.352 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 517903319 HHDMGVHWXKMAFS-QGZVFWFLSA-N 476.390 5.202 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 518255822 SQLSMEKFCPQDBK-LJQANCHMSA-N 470.533 5.244 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 520826407 SUXSZFIGKHPUFT-CABCVRRESA-N 466.632 5.345 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)n1 520909061 RIWUMNIMAPMFHI-NSHDSACASA-N 452.344 5.240 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)c1nnc2n1CCCCC2 521178210 SOFWUVUZGQZPCD-QGZVFWFLSA-N 483.403 5.256 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3 557545669 IOBWPFPDORATRL-ZDUSSCGKSA-N 470.645 5.009 30 20 JKED CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 560163665 FPDURQPLWSMRSF-RUZDIDTESA-N 461.949 5.568 30 20 JKED CCn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 589931487 QAPUQFNXMRBTOV-MRXNPFEDSA-N 465.648 5.068 30 20 JKED N#Cc1cccc(COc2cccc(/C=C3/CCn4c3nc3cc(C(F)(F)F)ccc3c4=O)c2)c1 603748400 OKKGHNXAMZJGRH-NDENLUEZSA-N 473.454 5.810 30 20 JKED COc1ccc(NC(=O)CSCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 603758928 PBZFIVJAIILFJC-JOCHJYFZSA-N 479.989 5.314 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003768 VTJMIGGHXQQPTL-INIZCTEOSA-N 483.337 5.639 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccccc4Br)o3)cn2)cc1 604335909 GCXAMDBRANYHPW-UHFFFAOYSA-N 489.329 5.734 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCC(=O)N(C)C1(C#N)CCCCC1 604448342 KTCYOHVWGJTJNI-UHFFFAOYSA-N 472.511 5.363 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)cn2)cc1 604461699 XQBCMIGCNFKVBV-UHFFFAOYSA-N 469.545 5.586 30 20 JKED Cc1csc(Sc2ccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c(C)c2)n1 608848336 NXJFGDHTFCSISC-UHFFFAOYSA-N 471.629 5.241 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 608995206 CDNOUIPIROQIPH-RUZDIDTESA-N 486.959 5.984 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)c1 609064988 QKLJEJULRUUMDF-UHFFFAOYSA-N 462.431 5.594 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 609079251 RBMFMTRWHHANFR-UHFFFAOYSA-N 490.554 5.510 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc(C3CC3)nc21 609103811 BXKMCLRKQNDASD-UHFFFAOYSA-N 469.520 5.732 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 609153367 ABSSVBQXYZWUJA-UHFFFAOYSA-N 451.548 5.095 30 20 JKED N#C[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1 609174928 ZSVPTMSBQTXAKU-XMMPIXPASA-N 493.485 5.406 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 609401545 VTSRJXSAOZLKCF-VFNWGFHPSA-N 470.019 5.498 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc12 609417251 QRYIBJXJVORHCC-AWEZNQCLSA-N 453.123 5.240 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)n2)cc1 613314269 HWOPNNKOEARUCY-HSZRJFAPSA-N 476.561 6.634 30 20 JKED C=CCn1c(SCc2csc(-c3cnn(C)c3)n2)nc2scc(-c3ccc(C)cc3)c2c1=O 613792138 IWVFGRGTGZDXOM-UHFFFAOYSA-N 491.667 5.769 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)nnc1[C@@H]1COc2ccccc2O1 613907590 IWXONGIEJAPIAB-GHTZIAJQSA-N 484.647 5.034 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 615518672 OGMVFLXEPDFVKP-UHFFFAOYSA-N 467.569 5.767 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)c2nccs2)cc1OCC 622019594 XRELJZFZTWCODJ-FQEVSTJZSA-N 459.409 5.748 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1cc(OC)c(OC)cc1Br 642252170 QSBZKBPJQMCVJZ-UHFFFAOYSA-N 460.397 5.127 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)c1cn(CCC#N)c3ccccc13)CC2 673782024 IEVTZFIHLRKZFG-NDEPHWFRSA-N 485.609 5.464 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N/[C@@H](C)c2cccs2)cc1 726420970 NGMCFKDTUJAVEX-ZRGIPMBISA-N 497.617 5.486 30 20 JKED N#Cc1ccc(NC(=S)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1Cl 726491306 YBANJTBLNVPIMG-UHFFFAOYSA-N 477.815 5.022 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(C(CC)CC)cc2)c1 726573624 NINAXKDKIVACQC-UHFFFAOYSA-O 472.590 6.091 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1=S 726593118 YWVOKIPPEXTKPZ-SFHVURJKSA-N 494.571 5.432 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c1C 727650560 MLKYSTIDXKDWQQ-RUZDIDTESA-N 498.608 5.366 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2)c1 728005116 IDKYDAKZLMPKOA-ZROIWOOFSA-N 465.553 5.028 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C#N)cc2)c1 728425342 FDAUUWGGNFTWJR-XMMPIXPASA-N 497.555 5.038 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 728429586 IWVGWPIGVQAWIS-YBOJDXLHSA-N 499.621 5.081 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 728776224 NAKKTEAVONENTB-IBGZPJMESA-N 492.498 5.499 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1C 728776902 GIXWQSJBHKWMFE-NRFANRHFSA-N 469.010 5.611 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C#N 728780172 OSRQOIDXCWTHKW-HXUWFJFHSA-N 499.518 5.231 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Br)c3)N(CCCCC#N)C2=O)cc1 728780656 WGDDMXULSPAUKO-HXUWFJFHSA-N 499.434 5.412 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)cc1 729146374 RKLHJIOTNIVNRK-FQEVSTJZSA-N 482.606 5.314 30 20 JKED CN(C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1)C(=O)OC(C)(C)C 729563372 PKLDVDQNUVSXIJ-GOSISDBHSA-N 484.984 5.725 30 20 JKED CCSc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(OCC#N)cc2)cc1 729685299 FTCYVOXQAAEPHW-UHFFFAOYSA-N 454.599 5.843 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C1CCC1 730462767 PJUHVHMDTOUFFS-LJQANCHMSA-N 472.492 5.090 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(OC)ccc3OC)C(=O)N2C2CCCC2)c1 730526618 IETTWOPGCUAFGR-HSZRJFAPSA-N 481.618 5.169 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc(-c2ccccc2)cs1 730687286 MXBWSIKJYWPKES-HNNXBMFYSA-N 457.502 6.248 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cocn3)C2=O)cc1Cl 730716221 VKLOSYLVYJSPRI-LJQANCHMSA-N 489.384 5.450 30 20 JKED O=C(OCc1cccc(F)c1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 731102484 OGTJTYRPNHRCLQ-UHFFFAOYSA-N 467.728 5.512 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc(C)on2)c(Cl)c1 731309705 UVATXTJTPQPBBN-HXUWFJFHSA-N 498.992 5.119 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(F)c2)cc1F 731309761 VXRRXVHFWABKMR-QFIPXVFZSA-N 481.524 5.139 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)cc2F)C1=O 745584671 QDSPDDGGUMYYJJ-QFIPXVFZSA-N 499.514 5.273 30 20 JKED C[C@H](OC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 853830586 VDAQMOHXEABTEX-HNNXBMFYSA-N 463.490 5.188 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1 914549116 ZKYYMVUIQIDNOG-VGOFRKELSA-N 479.005 5.134 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccccn2)C1=O)NCc1ccccc1 914549999 LKLBWEUNKGYDGL-NRFANRHFSA-N 499.423 5.227 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cs2)cc1 915087401 TWPHLEBTXMVHJC-VWLOTQADSA-N 453.567 5.867 30 20 JKED Cc1cc(NC(=O)[C@H](C)SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)no1 915102653 BZPSUZVFZGVKHR-FZMZJTMJSA-N 495.413 5.350 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)S1 915848966 FDTVUJCHUIBGCN-HMAPJEAMSA-N 451.555 5.443 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 915862286 JRBMCDMWWUGJHP-XZOQPEGZSA-N 475.495 5.187 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/CSc3ccccc3C2=O)cc1OC 916154895 WRPBABVIKYVJEA-BOPFTXTBSA-N 495.984 5.747 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccco2)C1=O)Nc1ccccc1F 916204221 AQIHYFQYQWRJPG-IBGZPJMESA-N 475.904 5.372 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 916207350 WOYCHNRGGAQAFD-JOCHJYFZSA-N 463.559 5.066 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccccn3)C2=O)c1 916208971 BLFXOFBYVKPFOA-QFIPXVFZSA-N 479.005 5.512 30 20 JKED COc1ccc(C(=O)Nc2cccc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)c2)cc1 916278823 XFQIUVPBTCITJE-UHFFFAOYSA-N 493.592 5.454 30 20 JKED COc1cc(C=NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)cc(OC)c1OC(C)=O 916316740 KMYJZQFQGPPTMW-UHFFFAOYSA-N 496.585 5.031 30 20 JKED CCCCn1c(SCC(=O)Nc2cccc(OCC#N)c2)nc2cc(C(F)(F)F)ccc21 916411450 WJVVAWYVFDZWQU-UHFFFAOYSA-N 462.497 5.488 30 20 JKED C=CCOc1ccc(/C=C/C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1OC 916422646 GUSLFCOBIQDYRC-PKNBQFBNSA-N 452.532 5.007 30 20 JKED CCCCCCn1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c2ccccc2c1=O 916627846 AIJCOUINHKVVNV-QFIPXVFZSA-N 470.598 5.899 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccccc2Br)cc1 916883758 OMTAHLIRHDBBCB-LJQANCHMSA-N 483.749 5.643 30 20 JKED N#C[C@H](C(=O)CCCOc1ccccc1Br)C(=O)Nc1ccccc1Oc1ccccc1 916906112 BRPHISCZDXMMJO-LJQANCHMSA-N 493.357 5.748 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 916953952 FOGBPGMHCXYVEN-IMDCKVJKSA-N 466.537 5.615 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 917032880 VSBZTXMKSLBTEB-BMWJWERDSA-N 479.671 5.926 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc2cc(C(F)(F)F)ccc2s1 917043735 OBHJCJXPJJUXDC-TZIWHRDSSA-N 492.478 6.259 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cccc(CSc2ccc(C)cc2C)c1 917506402 YVMOSKBIWBQDKF-JOCHJYFZSA-N 488.609 5.923 30 20 JKED COc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)cc1Cl 917612342 RCZWQOLFOOCZFM-UHFFFAOYSA-O 477.009 5.710 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2C)n1 917664522 JYUSKFNFBKKCNN-JOCHJYFZSA-N 494.020 5.216 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917669681 CUIXJLAFEOCKJG-LSQMVHIFSA-N 490.673 5.199 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCO[C@H]2CCCC[C@@H]2C)C1=O 917675507 MCTZBNCIGNZCEO-APTRMMRNSA-N 495.645 5.251 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc2ccccc2c1 917699296 APEXAHWLFRKDNC-DEOSSOPVSA-N 489.597 5.039 30 20 JKED O=C(Nc1ccccc1SC(F)(F)F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918267036 YDVKNDGXUZJRFP-IUCAKERBSA-N 482.368 5.263 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 919666004 GKLCOLSYQBHAKY-FQEVSTJZSA-N 483.351 5.851 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 920105302 AWFMNFBXAZSHBQ-FUHWJXTLSA-N 482.367 5.227 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920105317 BICMNDGLYRYBJF-IBGZPJMESA-N 479.367 5.720 30 20 JKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 920113002 ODJCETFLHIDPRL-AWEZNQCLSA-N 451.798 6.071 30 20 JKED CCCCc1nc(-c2cccc(OC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)no1 920226535 MOKSKDKPCLWUKF-UHFFFAOYSA-N 487.516 5.021 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC(F)(F)C4)cc3)CCC2)cc1C#N 1785803468 LWONKMPVRBOTMS-IBGZPJMESA-N 481.543 5.529 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1786162612 QJJWUVOBTHOYNP-UHFFFAOYSA-N 498.740 5.684 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)cc3)CCC2)cc1 1787950260 UIUJQBSKABTSBW-MYKRZTLLSA-N 490.607 5.684 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3F)CCC2)cc1 1788650575 GOZCQLHXGDKUPO-CMDGGOBGSA-N 487.556 5.555 30 20 JKED Cc1cc(C)n2ncc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@H](C)C#N)c5)CCC4)cc3)c2n1 1788977568 HVYVISSQKZEKHZ-GOSISDBHSA-N 492.583 5.035 30 20 JKED COc1nc(C)ccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789874815 LAGYKNAUCPKDGH-SFHVURJKSA-N 468.557 5.087 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790591287 MGLSSQGZJCVJRZ-UHFFFAOYSA-N 461.512 5.708 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)cc2)CCC1 1790591288 MKTRZTAUQLRUJY-AREMUKBSSA-N 473.523 5.936 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791244020 JGUKQLYBHDDXBA-TXTKFYIRSA-N 483.653 5.416 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1792266404 UUSCQPNJKGUYRE-TUACAJSNSA-N 493.648 5.102 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1C#N 1797779275 PKWDZQUIJSWAJA-YCXOGWGTSA-N 492.019 5.054 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CCCc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1803491477 CNYSTIXFINDZGE-WNCULLNHSA-N 499.577 5.323 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4sccc4s2)C3)cc1C#N 1803838721 CUZPPOHDZMNLLY-REPLKXPHSA-N 479.627 5.187 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(-c5ccccc5)nc5ncccc45)CC3)C2)C1 1804782411 QUKVZMPVYOKATR-UHFFFAOYSA-N 480.612 5.108 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC4(CCCN(C(=O)C#Cc5ccc(Cl)cc5)C4)CC3)cc12 1805334967 IVTXHYDDPATJKO-UHFFFAOYSA-N 474.004 5.026 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC4(CCN(C(=O)c5ccc(C#N)cc5Cl)CC4)C3)c2c1 1806889194 HQOPCEIUZPFOQB-UHFFFAOYSA-N 489.019 5.089 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3ncccc23)[C@H]1c1cccnc1 1809010607 USUOYXZCPIWNDZ-NEKDWFFYSA-N 498.703 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1809552883 SNHCGNAPIKJWCJ-ZGLCYIBRSA-N 478.036 5.313 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810726453 LYKCCNONBHEIAL-DHLKQENFSA-N 491.538 5.405 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811251937 QDXRLVWMACGHFN-LOYHVIPDSA-N 485.587 5.115 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1812795294 JSZXGWOQJTZOFG-VKGMGNCJSA-N 486.660 5.491 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1813053813 BSHGRPBLVAEQAS-KXVKLCPVSA-N 466.025 5.291 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@H]1c1cccnc1 1813226945 WOAVDAPTPFCVPT-OFSOJUDTSA-N 497.614 5.325 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1813820624 DHWKNZHLJUVDRQ-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccnc1 1813902406 JKRKKIIQUTYCLP-REWPJTCUSA-N 470.013 5.056 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1814106995 BMRURLFQSGGOMB-AJTFRIOCSA-N 473.661 5.410 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)c2ccc(OC)cc2)n[nH]1 1816807660 SKYHTGXNCSAYPG-JOCHJYFZSA-N 480.609 5.066 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1817099939 RGPIANZVYWBDTI-HNNXBMFYSA-N 480.384 5.216 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)[nH]n2)c1Cl 1820220836 CZUGPLWBBVIOAP-FQEVSTJZSA-N 473.920 5.301 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)[nH]n2)c1 1820484141 HGAIQSPKOSWMRY-OAQYLSRUSA-N 482.569 5.025 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1821324985 NZYTYKZIUWJYHW-GOSISDBHSA-N 475.599 5.486 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821427927 BXKPTIBMVBKERY-JOCHJYFZSA-N 463.969 5.111 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4ccccc4c3Br)n[nH]2)C1 1821534838 PZWCPQNACUJORT-NRFANRHFSA-N 493.405 5.598 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(Br)cc2C)[nH]n1 1821922964 DSYKSRSFZHTKFX-DOMZBBRYSA-N 465.417 5.060 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c(C(C)(C)C)c3)[nH]n2)c1 1823210379 BEXKDWNZIBYNKY-JTSKRJEESA-N 472.593 5.282 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)[nH]n2)c1 1823217413 RYQGLCHTCNTGAF-UUOWRZLLSA-N 494.555 5.311 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]n2)c1 1823217898 NJEAVZVATGCPFE-AOMKIAJQSA-N 461.953 5.310 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(N(C)C)c4ccccc34)CC2)C1 1823700545 PZLJPIHSHBSJTK-SANMLTNESA-N 459.634 5.105 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)C1 1823703460 ZPKNXSXOGKZOGZ-QHCPKHFHSA-N 463.449 5.512 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccco3)no2)CC1 1823752649 JPAXQCNDYGHQGX-NRFANRHFSA-N 453.583 5.160 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1823754825 DFBGVRDVEKNKBM-GOTSBHOMSA-N 491.717 5.292 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)c(F)c2)CC1 1823988813 TVYNSGVKFYRVDW-XUZZJYLKSA-N 461.021 5.410 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)CC1 1824041179 ZWHYAFHLNVSDQC-MHZLTWQESA-N 461.650 5.109 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1824499914 RTVHFUMKTFBJCM-VWLOTQADSA-N 482.665 5.006 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1824500211 WGDHFMCLWPRRDZ-DEOSSOPVSA-N 481.662 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)sc2C1 1824821902 GYONDGQXSWHPCC-VNZMSGEBSA-N 494.705 5.177 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1825438966 KOJSEPUDZQQIKA-DEOSSOPVSA-N 460.622 5.039 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826440133 AETUHRLOPBPLIR-QHCPKHFHSA-N 479.448 5.186 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2n1 1827278143 PGMNHBSZDJGYHY-DFBJGRDBSA-N 484.600 5.310 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1827298953 DKOVZJKFINRCLJ-XMMPIXPASA-N 478.633 5.287 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683570 DPTODTUIUSFZPQ-LJHNXUKNSA-N 496.648 5.125 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)CC1 1827710608 UCKNMVOLTXXXKR-AREMUKBSSA-N 474.649 5.182 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1828827501 OGTQXOHDDIUHRL-SHQCIBLASA-N 482.640 5.616 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 1828827739 TWGKQVMNURAPFD-VWNXMTODSA-N 468.638 5.014 30 20 JKED O=C(c1ccc(-c2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828999401 MGHJNHNIYZDFPN-GRDXZWITSA-N 483.612 5.299 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1829069707 BQBKVTBWFPYHRR-QHCPKHFHSA-N 470.654 5.238 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)CC1)c1ccccc1 1829198228 MMBAFDGYTSASAE-UKILVPOCSA-N 496.026 5.305 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)CC1 1829387843 GIQVTLUNYOSQCH-HXUWFJFHSA-N 465.560 5.326 30 20 JKED CSc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1O 1829667131 PTHQQMVOTZVMMP-DVECYGJZSA-N 491.657 5.288 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1Cl 1829689689 MWRQSKJZKOEQCW-QHCPKHFHSA-N 475.976 5.505 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Br)c3)CC2)CCC1 1830558930 PFOPUODMALDVDU-FQEVSTJZSA-N 492.845 5.030 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1)c1cccs1 1830990919 MLJYXHPMPHHQCU-CZQLGGELSA-N 476.598 5.167 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059171 FVHOZHIDSHRVMU-NBGIEHNGSA-N 458.602 6.032 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 1831315738 STHMJAPGQUVKOJ-QFIPXVFZSA-N 498.611 5.057 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1831375293 SILINWZHOQSLJZ-DENIHFKCSA-N 463.647 5.600 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831377450 ZSLTULOIRGXABL-KOSHJBKYSA-N 454.014 5.334 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1831446426 LSEOELKDYISRKN-DEOSSOPVSA-N 467.560 5.193 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1)C(F)(F)F 1831452515 FSJZWPMASQRJDM-FQEVSTJZSA-N 467.919 5.173 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc4ccccc34)CC2)c1 1832632577 TYHYGMIHPMQPLX-PIKZIKFNSA-N 480.612 5.409 30 20 JKED COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1F 1832635368 BTQVWQRIJZAXKT-CLOONOSVSA-N 477.580 5.008 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832700290 TYSQACUZEUOBHO-OAQYLSRUSA-N 468.585 5.166 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832708421 KLSLFFDUWIYQNZ-LJQANCHMSA-N 496.467 5.810 30 20 JKED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)/C=C/c3ccc(CCCCC)cc3)CC2)CC1 1833255247 XDWDWOYZLGFZGF-WUKNDPDISA-N 491.720 5.198 30 20 JKED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)cc1 1843202295 NBCFLBNUWCDBHN-UHFFFAOYSA-N 486.575 5.099 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1844252546 DZOUVDQKVMSMFX-UHFFFAOYSA-N 483.084 5.468 30 20 JKED C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)C1 1844743660 QUMCXDUEGBPMDQ-KRWDZBQOSA-N 470.972 5.184 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCCC12CN(C(=O)c1cccc([C@H](C)C#N)c1)C2 1847095833 BQSANKPPKQBNKF-HSZRJFAPSA-N 495.664 5.205 30 20 JKED N#Cc1cccc(CSc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)c1 8760922 MQAOUULRYQTUGG-UHFFFAOYSA-N 456.962 5.483 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccc(F)c2)nnc1-c1ccc(Cl)cc1Cl 9826175 ASCHFYONCSDJGN-UHFFFAOYSA-N 465.381 5.328 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174077 GQDMYLWWYZXEPE-UHFFFAOYSA-O 490.483 5.394 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SC(F)F)nc3ccccc3c2=O)cc1 10916471 QKJRKHFMQDONJQ-UHFFFAOYSA-N 494.548 5.303 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(\S)Nc2ccc(C)c(F)c2)[n+]2ccc(N(C)C)cc2)cc1C 14872493 WKPMUTJMBHTVLT-UHFFFAOYSA-O 450.603 5.464 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccc(F)cc1 16835770 OYOIOTQEFQGOAY-HNNXBMFYSA-N 481.622 5.592 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccc(OC)cc1 16865040 LZQXRBZWMWSBIP-INIZCTEOSA-N 493.658 5.461 30 20 JKED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 17222738 STQGBUZAAVRPLV-QHCPKHFHSA-N 498.366 5.026 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 21176670 RCBXXMVXVRQMDM-UHFFFAOYSA-N 473.579 5.262 30 20 JKED C=CCn1c(SCc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)nc2ccccc2c1=O 21243799 QZIUCCOVPYVALY-UHFFFAOYSA-N 486.622 5.457 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)cc1F 22000926 SXCXXBFEGITEFS-UHFFFAOYSA-N 490.585 5.180 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 22213458 KDMDXQWWDNLCLH-LBPRGKRZSA-N 497.835 6.219 30 20 JKED CC(C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc2cc(Cl)ccc2c1=O 24466868 GOKGZSCYFUDHMB-MRXNPFEDSA-N 454.983 5.058 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1 25084549 DTYJRBIJFZEMGU-VWLOTQADSA-N 457.603 5.241 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)cc1[N+](=O)[O-] 28811098 SZCAAFSPTJKBEC-UHFFFAOYSA-O 476.456 5.140 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1ccco1 29991148 AXZVXMPHYIZNDI-QFIPXVFZSA-N 460.559 5.595 30 20 JKED C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc(C#N)cc1 31434327 REGPYSLRJATSMX-CQSZACIVSA-N 474.369 5.157 30 20 JKED C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)c1nc(-c2ccccc2)cs1 31737927 MCZSIQSSZWZMTE-UHFFFAOYSA-N 471.557 6.343 30 20 JKED CC(C)c1c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cnn1-c1ccc(C(F)(F)F)cn1 31834748 QXTOZLISRSAFRQ-UHFFFAOYSA-N 480.412 5.210 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 32786259 YPOBVCNWTNPCJW-UHFFFAOYSA-N 466.010 5.056 30 20 JKED Cc1ccc(CCC2CCN(C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)CC2)cc1 36762544 JRVFGFDILPBVEQ-UHFFFAOYSA-N 472.589 5.203 30 20 JKED Cc1cc(-c2cc(C(=O)N(CCC#N)Cc3cccnc3)c3cnn(C(C)C)c3n2)c(C)s1 72053619 PGLUBBFVKXNGDG-UHFFFAOYSA-N 458.591 5.309 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 109163607 KNQUYYAGYYVWBZ-UHFFFAOYSA-N 466.541 5.252 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3(c4ccc(Br)cc4)CCOCC3)c2)c1 110126019 ZFLOMMIFNKYTPH-UHFFFAOYSA-N 491.385 5.587 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 116552899 MGMZVXVNPFMMSA-WOJBJXKFSA-N 471.557 5.221 30 20 JKED COc1cccc([C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N2CCCC2)c1 255949925 IJLYKKAWVWKGCM-SANMLTNESA-N 471.626 5.426 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1cccnc1 302767689 PVBSWDBBJNRAJO-GFCCVEGCSA-N 467.904 5.318 30 20 JKED COc1ccccc1SC[C@H](C)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 303202939 MFJQZVQGDWNWHK-LJQANCHMSA-N 462.640 6.017 30 20 JKED Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)cc1 303206117 PQCSEAONYLMRFM-XMMPIXPASA-N 498.652 5.833 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)CC2)c1 409452743 KBBLJFYKNGLELY-UHFFFAOYSA-N 472.520 5.050 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1CCCN(c2ccccc2C#N)CC1 481143523 YICMRMKIEAEQJE-UHFFFAOYSA-N 480.568 5.248 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(Cc3ccco3)c3ccccc3C#N)c12 482163223 KGOAOSHYZBOGHC-UHFFFAOYSA-N 453.546 5.684 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1Cl 483188768 GRKLJEMJDCUYCE-OAHLLOKOSA-N 491.444 5.758 30 20 JKED COC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(OCC(F)(F)F)c1 484399541 VYMBUQAQNQGHBC-UHFFFAOYSA-N 470.403 5.331 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Cl)c(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 494998275 VSZLJKWAJUXMMZ-UHFFFAOYSA-N 466.781 5.528 30 20 JKED C=CCn1c(SCC(=O)NCc2c(OC)ccc3ccccc23)nnc1-c1ccc(Cl)cc1 498530387 USXXABYTZQCVIQ-UHFFFAOYSA-N 479.005 5.355 30 20 JKED C[C@@H](Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 504412348 XDDPORKSFOKBRZ-GOSISDBHSA-N 472.976 5.173 30 20 JKED Cc1cccc(NC(=O)COc2ccc(CCNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)c1 506368262 HOOOREYCKPLAKF-UHFFFAOYSA-N 470.573 5.178 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)sc2nc3n(c(=O)c12)CCCCC3 509671794 QUDGFEDCCWPCNG-UHFFFAOYSA-N 470.554 5.409 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511337384 IZEISJOXLFPWNC-UHFFFAOYSA-N 454.357 6.302 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 511398715 NWVDIUPYJQSRED-UHFFFAOYSA-N 463.541 5.529 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2OCC)c1 515618901 PJUNTVHPTYPNTP-UHFFFAOYSA-N 485.005 5.681 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(F)c(Br)c1 517451768 UUEUKKQQGOTNBI-CYBMUJFWSA-N 453.402 5.854 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 517461406 HOIXRMYSRYWOID-UHFFFAOYSA-N 481.446 6.216 30 20 JKED C[C@H](Nc1ccccc1OC[C@@H]1CCCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2 518014277 XKCQATQYEAOQDU-ROUUACIJSA-N 453.608 5.276 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)cc1 518600763 UJZWWJNJWLTFKE-UHFFFAOYSA-N 499.280 5.153 30 20 JKED CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cc1 521726907 SJBFYYBTOUBGGJ-SFHVURJKSA-N 495.626 5.390 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 590342300 QQFPQQJBMTYQII-UHFFFAOYSA-N 453.542 6.043 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 590880766 WILXAFGRLRAXDB-SFHVURJKSA-N 473.520 6.067 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1 600814395 LKZYUATZJGSXEA-UHFFFAOYSA-N 497.599 6.227 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)NCCSCc1ccccc1C#N)CC2 603748207 XGWJKEAIXUAEAE-RUZDIDTESA-N 493.654 5.227 30 20 JKED CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604485401 BIDQGEDUDUPMKI-UHFFFAOYSA-N 483.494 5.360 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Oc2ccccc2)cc1 608797410 JYDJSLJAUONARK-IBGZPJMESA-N 478.508 5.354 30 20 JKED COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 608912997 IANJUQDSLPYOAL-UHFFFAOYSA-N 474.504 5.019 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 609062032 SFSLXSWOLQJPTF-UHFFFAOYSA-N 467.573 6.147 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 609165156 ILMCGKGODXHYLJ-UHFFFAOYSA-N 477.520 5.475 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3oc4ccccc4c3CSc3ncccn3)c2)cc1 609176478 MOPJJSQAUQGATJ-UHFFFAOYSA-N 478.533 6.431 30 20 JKED C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(Oc2cccc(C#N)c2)CC1 609195237 HFUAESHUHUARAN-CQSZACIVSA-N 451.876 5.101 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 609403276 JFNVEIGAHDXGSC-INIZCTEOSA-N 465.525 5.061 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H]2CCc3cc(C)ccc32)cn1 726114517 XDLCCZGGJNMCFE-ZEQRLZLVSA-N 487.629 5.168 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 726411109 GNMDIPABTLZGKX-YADARESESA-N 468.582 5.093 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 726412046 LWNWDUYQCFGLEX-NRFANRHFSA-N 463.559 5.029 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCc3nccs3)C2=O)cc1 726420438 LSBMVYYLKYAUBH-DHKQWSGOSA-N 484.672 5.146 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(NC(=O)Cc4cccs4)n3)cc2)c1 728006510 LWXCGBCFLKAKHK-UHFFFAOYSA-N 488.594 5.018 30 20 JKED CCOC(=O)c1ccc(Br)c(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 728505148 FTGRTFXYXRBDAB-FQEVSTJZSA-N 499.386 5.082 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)cc1Cl 728775773 BVZKIAVGEVKRMQ-OAQYLSRUSA-N 499.036 5.620 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H]2CCc3c(C)cccc32)C1=O 729630874 FFGYPIRIIYATAR-RBUKOAKNSA-N 462.402 5.057 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCc3c(C)noc3C)C2=O)cc1 730441841 MRCUFBTZXIWYJE-DEOSSOPVSA-N 490.629 5.420 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)c1 730461708 GVBAJSWKSCYHDR-NRFANRHFSA-N 451.979 5.143 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1cocn1)c1cccs1 730729458 MQEJREPYFHRMHC-BJVDCMAQSA-N 492.985 5.119 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](OCCC)CC2)ccc1Cl 730989311 KMXXDHXKKLYTFM-JOCHJYFZSA-N 491.053 5.143 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 731077359 INZWCVNSXDRHHA-XYPHTWIQSA-N 463.386 5.531 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 731077432 MPXSFOLKIHIHRC-OAHLLOKOSA-N 488.491 5.081 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731305497 DOGHNGVRGQRBJI-RPWUZVMVSA-N 471.582 5.348 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c(C)c1 731306915 FHLHQNRWNIOZIJ-NRFANRHFSA-N 465.600 5.231 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)CCc2ccco2)c1 731313540 ZCQGFGVUKHVGHC-HXOBKFHXSA-N 495.576 5.414 30 20 JKED Cc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c(C)n1-c1nccs1 744709870 GZIIICCNXUQCEU-UHFFFAOYSA-N 480.018 5.833 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc3cccnc23)C1=O)Nc1ccccc1 744997066 LEBDMKWEXHDMSK-QHCPKHFHSA-N 466.566 5.395 30 20 JKED NC(=NOCc1nnc(-c2ccccc2Br)o1)c1ccc(COc2ccccc2F)cc1 748797420 WZVXSVYYXNCPLW-UHFFFAOYSA-N 497.324 5.054 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)c4ccc[nH]4)c3C#N)C(C)(C)C2)o1 749955271 GSGRWPQRLFFKDU-CLFYSBASSA-N 461.543 5.423 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)cc(Br)c1OC(F)F 750914592 YIDTZFZZLAFDHV-XVNBXDOJSA-N 466.278 5.230 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1C(=O)NCC(F)(F)F 812204706 DCIWIWJREHDYLW-UHFFFAOYSA-N 488.306 5.034 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1cccnc1 837285877 ZLIDWLBZUAMTSN-VGOFRKELSA-N 494.567 5.698 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3ccccn3)C2=O)c1 837386613 SBZJBPCQKOURAQ-WZONZLPQSA-N 474.586 5.120 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2sc(Nc3ccccc3)nc2Cl)cc1 839416378 ZPQNMNJCGWYZHW-UHFFFAOYSA-N 460.947 5.021 30 20 JKED CSc1nc(O)c(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(C)cc4)c3C)cs2)cc1C#N 913660866 MWQFVLWGYFJEMZ-UHFFFAOYSA-N 475.599 5.473 30 20 JKED Cc1noc(CSc2ccccc2C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)n1 914901385 XJSAQPCWZRMHFW-UHFFFAOYSA-N 469.566 5.727 30 20 JKED CSCC[C@@H](NC(=O)c1ccco1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102608 AETILPUAMZBAFE-GDBMZVCRSA-N 494.425 5.438 30 20 JKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)Nc1cccc(OCC#N)c1 915710486 CYKSLCHDHHGWND-UHFFFAOYSA-N 485.975 5.818 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=S)Nc2ccc(C)cc2)cs1 915923522 QWJMTDZJNMSHDP-UHFFFAOYSA-N 477.537 5.475 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cs1 915975093 DFXMBFVOFJSORP-UHFFFAOYSA-N 450.307 5.489 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(CC(=O)O)cc2)c1 915988327 ULLXZFHKQQMSNB-WYMLVPIESA-N 468.509 5.080 30 20 JKED COc1cc(C2=N/C(=C\c3cccc(OCc4cccc(C#N)c4)c3)C(=O)O2)ccc1OC(F)F 916031229 BNMOIBRSFOEKQA-MTJSOVHGSA-N 476.435 5.092 30 20 JKED O=C(O)COc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 916157938 XZGNNTVTIJAPTG-YFHOEESVSA-N 470.308 5.605 30 20 JKED C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166916 YHUKCDGILMDWNC-LJQANCHMSA-N 483.412 5.889 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccccn3)C2=O)cc1Cl 916216226 RXFJFFZXQZLLFG-JOCHJYFZSA-N 495.004 5.213 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc2ccccc12 916217121 FSVSNFBZNFZSDF-JOCHJYFZSA-N 498.004 5.109 30 20 JKED C=CCn1c(SCC(=O)OC[C@@H]2CC2(Cl)Cl)nnc1-c1ccc(Cl)cc1Cl 916424440 HEAHJICUOOPMIN-JTQLQIEISA-N 467.205 5.267 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 916721476 XVFLLOPQJGXTPZ-ZGPNMMCTSA-N 489.041 5.302 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1 916943440 WZJAAUDBZDSZOP-AWEZNQCLSA-N 450.372 5.377 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3ccc(Br)cc3)n2)cc1 916971570 BTOBCTAAGAEDBB-SFHVURJKSA-N 457.418 5.991 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976961 YJYXXBQCWZTFIK-PZJWPPBQSA-N 463.990 5.121 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc(-c2ccccc2)cs1 917026348 FNEVTUWEMIWVRP-VWNXMTODSA-N 450.519 5.754 30 20 JKED N#CC1(c2ccccc2)C/C(=C/c2csc([N+](=O)[O-])c2)C(=O)/C(=C\c2csc([N+](=O)[O-])c2)C1 917144326 GAIXNASGVUOSCT-XQOBZHGLSA-N 477.523 5.917 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccc(Br)cc2)c1=S 917487518 RYHNDOOMZUJRCX-LJQANCHMSA-N 456.413 5.219 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 917504894 GZSJHEGLUSQDMY-SBJJXXPASA-N 466.843 5.085 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 917699338 BHOQHMGJHHLIJI-FQRUVTKNSA-N 494.620 5.634 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)c1 918330797 CJTYBVAWQIEZOW-UHFFFAOYSA-N 478.346 5.636 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCCN1C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1 918489633 LZUJEKDCKMXTGN-MAUKXSAKSA-N 474.369 5.581 30 20 JKED C=CCOc1ccc(/C=C2/SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 920473860 YISLDLOBFJCLPU-HAVVHWLPSA-N 450.629 5.117 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(COc3ccccc3)c2)c1 920742146 VFVPSOPYRDUXLD-UHFFFAOYSA-N 493.588 6.120 30 20 JKED CC(=O)Nc1cc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c(F)cc1F 921158444 IFVKRNIQSFFAEF-UHFFFAOYSA-N 486.315 5.058 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 1778862915 DALVTDFFUHZLND-STSWTCBMSA-N 458.687 5.099 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CCO2)C1 1778883469 LCBFTVNDPKQSRM-KMRXNPHXSA-N 489.641 5.108 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1786394851 IWQLIBPFKSRLCE-DEOSSOPVSA-N 459.615 5.451 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccsc4)cc3)CCC2)c(C(F)(F)F)n1 1788235896 JOXNWXNYPAITNG-UHFFFAOYSA-N 484.503 5.024 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3)cc2)CCC1)c1ccc(O)cc1 1788463470 OSXMLXHIQBGYFI-NRFANRHFSA-N 492.579 5.165 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C)c4ccccc4n3)cc2)CCC1 1789021321 UIUYAPYGWXBVRP-IBGZPJMESA-N 458.562 5.092 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)cc2)CCC1 1789229945 HFUJZYWVZPLXMC-MRXNPFEDSA-N 485.506 5.526 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3C(=O)OC(C)C)CCC2)cc1 1789453216 OTTRFNCPKYIBJD-JOCHJYFZSA-N 475.589 5.163 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1789494567 WMBMQSVFPBFCDR-QHCPKHFHSA-N 497.595 5.749 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)cc2)CCC1 1789990453 KNWJCQFTYNZFJH-QGZVFWFLSA-N 470.598 5.296 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)cc(OC)c4)CCC3)cc2)c1 1790076785 RDYRXSMHAOJIOM-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)c1 1790856246 FJGLEETVCNONCZ-UHFFFAOYSA-N 474.564 5.487 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nccnc5c4)CCC3)cc2)c1 1792123557 IVJZDUIYTDTVBZ-LJQANCHMSA-N 475.552 5.318 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ncsc5[nH]4)CCC3)cc2)cc1C#N 1792168622 QXPWQRVKOVTADF-UHFFFAOYSA-N 499.596 5.345 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@]4(C)CCCN(C(=O)OC(C)(C)C)C4)cc3)CCC2)C1 1792281521 GGOINPZZIVGLLL-MHZLTWQESA-N 481.637 5.124 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1796964213 KGOLQOXLXOGFKU-WKCHPHFGSA-N 454.998 5.844 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2occ(-c3cccnc3)c2[nH]1 1799108025 FTCAPBOJEKHQGG-ACDBMABISA-N 460.578 5.067 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(ccc3ncccc32)s1 1799124013 GEOFPHKTCIBDBK-IYWMVGAKSA-N 459.615 5.470 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4ccccc24)C3)ccc1Br 1800632587 UPNBEDCUVFDOBS-WKCHPHFGSA-N 488.385 5.040 30 20 JKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cccc(Br)c3)cc1)C2 1802304669 BCQAGUZMIJISPA-BKFWDETESA-N 479.418 5.171 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1802501319 LHMKRZQSNQKNQN-QPPBQGQZSA-N 480.052 5.465 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1802503094 KWUWYCAZSQOZGW-NTKDMRAZSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@@H]1c1cccnc1 1803213025 SIBQPEIGKDKVCX-FFHOAYQKSA-N 481.587 5.162 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@@H]1c1cccnc1 1810173037 OERHTTLJRJFKKW-KHNMEUAJSA-N 473.661 5.686 30 20 JKED Cc1snc2sc(C(=O)N3CCCC4(CCN(C(=O)c5cccc([C@@H](C)C#N)c5)CC4)C3)cc12 1810520302 RZTHNBVNZGYBOX-KRWDZBQOSA-N 492.670 5.452 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811140315 FZWDDEBPOFSGJV-XXBNENTESA-N 491.941 5.267 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1811227403 AAOHXGYAKVGWDX-FPDDQMOCSA-N 487.003 5.304 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)cc1 1811358009 FIQRHXZUUSBAOJ-IDSWSEBSSA-N 484.644 5.074 30 20 JKED CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1812033651 LPJBEWMWJXIJGP-YNOBPPCASA-N 480.612 5.295 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1)c1ccccc1 1812148504 DAXCAQBQIBIXEJ-IUAQSZDVSA-N 491.591 5.345 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1812451095 HKUBMGKVLBITEM-IQOKHDRSSA-N 474.432 5.239 30 20 JKED Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c1Cl 1813828021 YGLGJBNZJLXPRS-YADARESESA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)[nH]n1 1814830039 NQFXKKLISQKREF-UIOOFZCWSA-N 489.664 5.225 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814830293 SPQUTJCSFGQCTR-HXUWFJFHSA-N 451.958 5.009 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1815207906 PFIZVXDDSODKAW-LJQANCHMSA-N 483.371 5.144 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1815656838 IHOCKCJNVRTZIG-HXUWFJFHSA-N 492.686 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)cs2)n[nH]1 1818150620 CCGWWTOGFZNUEL-QGZVFWFLSA-N 477.428 5.308 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ncccc3-c3ccccc3)n[nH]2)c1 1818311342 ZPLQICBQLJEDAS-VWLOTQADSA-N 490.567 5.272 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818451080 SYWUXEHJULGMTF-SANMLTNESA-N 477.568 5.373 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn3c(Cl)cccc3n2)n[nH]1 1818526224 JDZKAIRCOUBZMH-GOSISDBHSA-N 468.989 5.009 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)sc2C1 1818931578 JWADMFQZFGVKDD-SWLSCSKDSA-N 476.524 5.081 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)c1 1821033181 UOERRVDYBUWRGE-FPTDNZKUSA-N 497.933 5.588 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3F)n[nH]2)cc1 1821088144 UKSAXPOSIHOEOW-FQEVSTJZSA-N 499.468 5.253 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccccc3)[nH]n2)c(Cl)c1 1821279803 IWEWXJFXUUSLAW-JTAQYXEDSA-N 473.964 5.044 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)cc1 1821301881 RBKMKNMZASUMIG-VWLOTQADSA-N 467.573 5.097 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821928955 QDJFPMKGLVZUDQ-FZKQIMNGSA-N 452.452 5.086 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)[nH]n2)c1 1823210564 HGUSATHIJHBBPK-QMHKHESXSA-N 493.970 5.378 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)[nH]n2)c1 1823212028 KZOVNLHXOWYCBX-BEFAXECRSA-N 473.499 5.075 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)cc1 1823685258 PRUBCEJTKCPPEV-AXSXGGAZSA-N 461.650 5.247 30 20 JKED O=C(c1ccc2cnccc2c1)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824054981 CJBKIHGZGKMLIK-HHHXNRCGSA-N 486.015 5.173 30 20 JKED O=C(c1cccc2cnccc12)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824057688 STOQYPJYWNJSAN-MHZLTWQESA-N 486.015 5.173 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](C)Oc2ccccc2)CC1 1824144909 MABQCMCNTHLWRO-NVQXNPDNSA-N 452.639 5.232 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1824502800 XQLLURPIRVJQCZ-VWLOTQADSA-N 470.654 5.080 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(C)nc2C)CC1)c1ccccc1 1825866339 IAOQLEQJFIIBJK-DQEYMECFSA-N 477.674 5.190 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1826515384 FVTBYICDIJHKEX-CUNXSJBXSA-N 457.618 5.098 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826672206 GZRYUMDCCSZQBU-GOSISDBHSA-N 482.440 5.420 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c1 1828010789 CYVNLZDRURURCR-MNNSJKJDSA-N 479.624 6.014 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1828349987 VJCKEZKEWHZNKP-NZQKXSOJSA-N 454.014 5.191 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1828608631 OOSASWQCCXXKJW-LJQANCHMSA-N 498.496 5.026 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2cccnc2)CC1 1828907867 KAXUPCFGPHZAGU-SANMLTNESA-N 481.757 5.075 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)n(C)c2C)CC1)c1ccccc1 1829544416 HRGNXPJIXDIUHH-XCZPVHLTSA-N 473.661 5.072 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829572116 PORDQBRQTRHIBN-QHCPKHFHSA-N 491.657 5.580 30 20 JKED CSc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1O 1829667126 PTHQQMVOTZVMMP-CYFREDJKSA-N 491.657 5.288 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1Cl 1829689988 XPTJBDYURXAFQG-QFIPXVFZSA-N 488.390 5.551 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1829701050 FEIYKTOYFQSLKJ-RUZDIDTESA-N 490.003 5.699 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1Cl 1829959662 YMRIVZAVPCKBRT-RUZDIDTESA-N 494.035 5.546 30 20 JKED Cc1nc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)ccc2s1 1830015347 ZYNXGIXXFXEHOT-DEOSSOPVSA-N 472.614 5.024 30 20 JKED CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830362726 CUPOTBFUTVSGHU-VPUSJEBWSA-N 475.608 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1830393117 MTKVXSQYGDGELK-ZEQRLZLVSA-N 489.701 5.068 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1830413816 GRUNTHZDVREBEY-PXNSSMCTSA-N 490.069 5.589 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1 1830717326 SXLQUCKGDHYUIU-JOCHJYFZSA-N 471.935 5.037 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 1830771004 PJWQGZFGFBSMHP-QHCPKHFHSA-N 481.543 5.015 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1)C(F)(F)F 1830994560 CNETXTSDWMLIEB-LJQANCHMSA-N 467.919 5.173 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)CC1 1831204674 VPZULZIYLGTSLV-OZNIXHKMSA-N 479.709 5.458 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1831367377 JDPYZOPWYTUXLE-XWGVYQGASA-N 491.717 5.148 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1831371511 VYTMUWVYUVPZGB-MBSDFSHPSA-N 454.014 5.334 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1831444220 LLGVPWJQDMOSLT-HXUWFJFHSA-N 450.570 5.330 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)CCC1 1831949209 ZCXKBQYTDWNKPN-NRFANRHFSA-N 495.973 5.215 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1832030579 UEFBQAKUNDABAV-MUUNZHRXSA-N 499.655 5.366 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832687909 JHFHSLBQCHZFOB-DEOSSOPVSA-N 499.989 5.356 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2)CC1)NC(=O)OC(C)(C)C 1832756452 DWAGRDGPIBEGKX-RPBOFIJWSA-N 497.680 5.088 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)cc1)C(F)(F)F 1832787833 GVHNBVWBEYGXID-CVDCTZTESA-N 489.582 5.208 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)c3c(F)cc(Cl)cc3Cl)CC2)CC1 1836456013 YABSQCZSNLEFQQ-UHFFFAOYSA-N 496.454 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(CCC)cc3)CC2)CC1 1838423808 FJKOZKHOQMRZCJ-UHFFFAOYSA-N 454.655 5.244 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)CC2)CC1 1838535572 BFBIQTZRBDGCKF-MXVIHJGJSA-N 486.056 5.040 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)c1 1846896532 DCJJUSSOKIECGV-OAHLLOKOSA-N 475.898 5.117 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1Cl 9826200 IHZZXYZOXWCFNV-UHFFFAOYSA-N 461.418 6.094 30 20 JKED Cc1c(Cl)cccc1-n1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccncc1 9968377 KAMHBNUSYHHGEU-MRXNPFEDSA-N 474.977 5.282 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Oc3ccccc3)cc2)c1 10172391 MSXLTWDTAYKWCT-UHFFFAOYSA-O 475.540 6.404 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(Cl)c(Cl)c1 11159541 PQJMNWNWRCDFOW-UHFFFAOYSA-O 472.461 7.018 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(F)cc2F)cc1 11247663 GMVIFDWNYXALPL-UHFFFAOYSA-O 466.360 6.172 30 20 JKED Cc1ccc(-c2cc3nc(SC[C@H](C#N)CCC#N)n(Cc4ccccc4)c(=O)c3s2)cc1 15236848 IXZHUCDNYDSWLK-FQEVSTJZSA-N 470.623 6.017 30 20 JKED C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2scc(-c3ccc(C)cc3)c2c1=O 16207253 NTAZRQXUHYTHPW-UHFFFAOYSA-N 472.595 5.148 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc2ccccc2c1 20990645 BNUKHHSHXURYMU-QGZVFWFLSA-N 462.550 5.455 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1ccncc1 21273826 YSZKCNLSVYVVHE-HSZRJFAPSA-N 476.005 5.177 30 20 JKED COc1ccc(C)cc1NC(=O)[C@H](Sc1nc(C)cc(C(F)(F)F)c1C#N)c1ccccc1 21514676 ARAJWSRQCTXLCV-OAQYLSRUSA-N 471.504 6.070 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NCc3ccc(F)cc3)s2)n(C2CCCCC2)c1C 21738128 ROFDULKDUJWXTP-UHFFFAOYSA-N 498.653 5.815 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc3c(c2)CCCC3)cc1 22730391 FJCNXQWDTCGEKD-UHFFFAOYSA-O 466.026 5.956 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 23603242 MUZSKXAPLIJFLH-UHFFFAOYSA-O 461.438 6.229 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nnc1-c1ccc(F)cc1 24014769 HMVKIHQPBIIVAY-OAHLLOKOSA-N 489.414 5.172 30 20 JKED COc1ccccc1-c1csc(/N=C(\O)c2ccc(=O)n(Cc3ccccc3Cl)c2)n1 31981831 SQFPLCDQPNZNJJ-UHFFFAOYSA-N 451.935 5.318 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 32787645 NTBMTMZAQRNRSP-CVEARBPZSA-N 477.659 5.331 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)nnc1-c1ccoc1C 36772363 WGKAPGZXEHVKCC-GOSISDBHSA-N 479.587 5.157 30 20 JKED N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc2c(c1)OCCO2 45447578 ODRUKKGWROSPMP-UHFFFAOYSA-N 451.526 5.262 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)n1 58558503 BBJUSOJPPOBXKN-NRFANRHFSA-N 465.962 5.564 30 20 JKED O/C(COc1ccc(Cl)cc1Cl)=N\c1ncn(Cc2ccc(Br)cc2)n1 60243504 QTCKCEOCBBRFOG-UHFFFAOYSA-N 456.127 5.063 30 20 JKED Cc1csc(Sc2ccc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)c(C)c2)n1 60347013 DIJURMKUBOUMPR-UHFFFAOYSA-N 462.604 5.014 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)sc2nc(C(F)(F)F)ccc12 108373915 BNVGYKCFVIYWEB-UHFFFAOYSA-N 481.499 6.521 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(OC(F)F)c(OC)c3)c2)cc1 207965671 ZBWYWDUMRAZBCT-SDQBBNPISA-N 453.441 5.454 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1-c1ccc(OC)cc1 255933701 NLOYMKQARBLYPJ-UHFFFAOYSA-N 450.589 5.564 30 20 JKED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)c(Cl)c2)c1 302974803 DSOUMCBPJPLLQX-KRWDZBQOSA-N 469.994 5.230 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 303276519 SOEXVWXLLZXTCC-UHFFFAOYSA-N 483.399 5.280 30 20 JKED N#Cc1cc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)ccc1OCC(F)(F)F 409732897 GPEQJYJLPRBFEI-UHFFFAOYSA-N 460.387 5.147 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cc(Br)cs2)cc1 409825732 CDDOFYOINSMWNP-UHFFFAOYSA-N 455.377 5.727 30 20 JKED C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 480000225 CMQAORCALNUZEK-UHFFFAOYSA-N 481.578 5.037 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1occc1CN1C(=O)Cc2ccccc21 486472517 NOPKUNNXSOQZNU-UHFFFAOYSA-N 477.520 5.380 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(CC#N)C2CC2)nnc1-c1ccc(Cl)cc1Cl 486916348 KNOPHZKUDWRLBW-UHFFFAOYSA-N 472.401 5.156 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 498365576 STTNCVIORRIZQU-QHCPKHFHSA-N 497.414 5.046 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3OCc3ccccc3Cl)CC2)c1 501720969 NIOBDFRXDIFWKJ-UHFFFAOYSA-N 473.960 5.282 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c3cnn(C(C)C)c3n2)c(C)o1 504726816 VVWLLZIZWXPGBH-UHFFFAOYSA-N 466.592 5.522 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl 510024742 WVXAWHBNAVZJCI-RUZDIDTESA-N 458.993 5.782 30 20 JKED Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)nc1 510904819 BSZNIUUWDXOGKR-UHFFFAOYSA-N 469.545 5.245 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(F)ccc2I)cc1 511696064 MZQLFQROAPENRF-UHFFFAOYSA-N 458.230 5.347 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 513183180 ZYLMUZPZHQPEFW-UHFFFAOYSA-N 476.296 5.052 30 20 JKED COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1 513196520 FYAPOCZFSAIVSY-NRFANRHFSA-N 476.458 5.760 30 20 JKED Cc1cccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2C(F)(F)F)c1 515540195 JKRWLNFOOGYCER-CQSZACIVSA-N 459.378 5.434 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 516711599 HWJCAZKDSGZVCJ-KRWDZBQOSA-N 482.565 5.598 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCc1cscn1 517800883 MXJIWSBUNSWRCS-LJQANCHMSA-N 472.551 5.216 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(=O)N(CC=C)Cc2cccc(C#N)c2)cc1 519495515 RZWCBGXRWBZSOE-UHFFFAOYSA-N 474.564 5.087 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 519877092 CNRWBSITJCBZIN-UHFFFAOYSA-N 489.912 5.021 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 520139482 BJQPCLBFLRDVIE-UHFFFAOYSA-N 455.518 5.416 30 20 JKED CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 520411573 QZMSAKXJSBAVHR-HXUWFJFHSA-N 452.533 5.702 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 520782087 BINZPPLEVRDJPK-DEOSSOPVSA-N 477.511 5.629 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccncc2)C2CC2)nnc1-c1ccc(Cl)cc1Cl 521493388 DBVNKVSSMVJLTG-UHFFFAOYSA-N 474.417 5.116 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc2c(c1)OCCCO2 521734765 QFSFSSHLVTXHJY-AWEZNQCLSA-N 465.497 5.312 30 20 JKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(OC)cc2)cc1 521748772 IQAGATROMXZEJP-DFBJGRDBSA-N 475.614 6.061 30 20 JKED CC1CCC(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)CC1 521790056 LFXAEPNFNDJMLK-ISXOHVOVSA-N 453.530 5.077 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 521813049 SKCJNNJYHIWQCH-LJQANCHMSA-N 463.647 5.555 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc(F)ccc2Br)cc1 523798036 ZVFRJBVHHLZXJB-UHFFFAOYSA-N 470.317 5.511 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3SCc3cn4ccccc4n3)cc2)c1 524412712 XNNSEGOWTTYLJR-UHFFFAOYSA-N 490.588 6.330 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 524427434 SKHVIJGITLWRED-DEOSSOPVSA-N 496.592 5.358 30 20 JKED Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 550723747 SQVCTIJNGQMFPL-QHCPKHFHSA-N 476.964 5.323 30 20 JKED N#C[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cccc(Cl)c1Cl 557644875 SETONUVVOJCTDP-FQEVSTJZSA-N 451.313 5.215 30 20 JKED C=CCOc1c(Br)cc(CNc2cc(-c3cccc(Cl)c3)nn2CCO)cc1OC 589650214 IRKBYQQQJCOLHG-UHFFFAOYSA-N 492.801 5.144 30 20 JKED C=C(C)COc1cccc(NC(=O)N[C@H](CCC)C(=O)Nc2cccc(N3CCCC3)c2)c1 589741874 ZRAUICCSZBFJDF-XMMPIXPASA-N 450.583 5.171 30 20 JKED CCOc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 603794920 VVTBSYGJNGNZCO-DEOSSOPVSA-N 482.584 5.420 30 20 JKED CCCCCn1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c2ccccc2c1=O 609061519 DEUILFNTLUYHML-UHFFFAOYSA-N 480.568 5.598 30 20 JKED COc1ccc(OC)c(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609079793 JILHFBXHCMVVHX-UHFFFAOYSA-N 451.910 5.130 30 20 JKED COc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609084080 BMZXPBXBJQZCIT-UHFFFAOYSA-N 499.954 5.207 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377209 RFHOVNBHKUYIHV-DLBZAZTESA-N 462.662 5.241 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)C[C@@H](C)O1 609437118 QBHCMBPKJRQECB-ZCNNSNEGSA-N 452.624 5.012 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 611852156 CJXKZBSLVKZFHY-UHFFFAOYSA-N 496.036 5.060 30 20 JKED N#C[C@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nnc(N2CCOCC2)n1-c1ccccc1 614437980 IGMUXKHYQUDOKO-OAHLLOKOSA-N 498.395 5.115 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCC[C@H]1c1cccc(F)c1 615491892 IMHSCNZQHXCYIQ-SFHVURJKSA-N 480.380 6.077 30 20 JKED O=C(NCc1cccc(NC(=O)c2ccncc2)c1)Nc1cccc(C#Cc2cccs2)c1 615492325 MQNWJQBVQARMSO-UHFFFAOYSA-N 452.539 5.117 30 20 JKED C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 616337489 VHDGTEVBHPCDIJ-LLVKDONJSA-N 455.326 5.114 30 20 JKED Cc1cccc(-n2ncc(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2C(F)(F)F)c1 618301089 JQJZBSOUHIMRAK-RYUDHWBXSA-N 473.339 5.402 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 626587316 AJLYVVCAVICBJP-UHFFFAOYSA-N 456.955 5.244 30 20 JKED C=CCn1c(S[C@@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)nnc1-c1cccc(C)c1 639428707 YILXEDKHVFUIOV-JTHBVZDNSA-N 462.619 5.196 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1=S 725775428 SGVFXWKFOAXIBO-UHFFFAOYSA-N 487.645 5.228 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)S/C2=N\CCc2ccccn2)cc1 726110555 ILBKOXGTGYTFPW-OJEZVBBGSA-N 486.641 5.078 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 726413671 UZVNDDQLUARSHK-XMMPIXPASA-N 486.597 5.050 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1)c1cccs1 726420529 IOGDXMQYJIOCET-PWKUIGCYSA-N 467.538 5.319 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(C#N)c(Cl)c2)cc1 726570485 AYPBBQWSYYHLLZ-UHFFFAOYSA-O 492.024 5.537 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(OCC#N)cc3)C2=O)cc1 727649898 DIRHHUCIHMAXDD-DEOSSOPVSA-N 484.581 5.058 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2Cl)c1 727999353 NQDHOWRXNAXANK-XFXZXTDPSA-N 499.998 5.681 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c1 728248701 WABGTEMGTQFNAV-UHFFFAOYSA-N 486.999 5.416 30 20 JKED Cc1cc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)c(C)n1-c1ccc(C#N)cc1 728270006 DCHWNAOCRNEWED-UHFFFAOYSA-N 478.390 5.164 30 20 JKED Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Br)c1 728299615 TWPWFDUKSUJCBE-MRXNPFEDSA-N 482.353 5.786 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 728422822 LIZLNABWFPYPLJ-HOYKHHGWSA-N 483.597 5.237 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCCC#N)cc1 728777823 PNYSJWJSSDGSQX-FQEVSTJZSA-N 488.535 5.668 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1Cl 728777881 MPIVOZLNPGOYPR-AXNWQBDTSA-N 489.066 5.794 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N)c1cccs1 728778151 PIZDFHVRGXXQJQ-IQDFABKFSA-N 475.039 5.485 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(S(C)(=O)=O)ccc3Br)c2C#N)C1 728804282 WAEVWVDBIHMRSD-LBPRGKRZSA-N 495.464 5.189 30 20 JKED CN(CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1)C(=O)OC(C)(C)C 729036194 IUVZXNWWBDEUMN-HSZRJFAPSA-N 497.039 6.106 30 20 JKED Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)[C@@H]2c2cccs2)cc1 729417588 OUOZWWVKDDEDIM-LBNVMWSVSA-N 499.636 5.483 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O)Nc1cccc(Cl)c1Cl 730459988 RHRZPEKDVOQXBI-KRWDZBQOSA-N 466.365 5.645 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 730713885 BQCULQSKDDKZQF-YLJYHZDGSA-N 479.631 5.185 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2Cc2cocn2)c1 730726840 LEAGBEZAQHNYQG-HSZRJFAPSA-N 491.617 5.025 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 730989718 NVEYSXYPHCWATF-INIZCTEOSA-N 478.039 5.019 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccccc1SC[C@H](C)C#N 730994719 MCEIWAZBXZGWHL-CQSZACIVSA-N 459.402 6.051 30 20 JKED N#C[C@H](NC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)c1cccc(Cl)c1Cl 731195596 LVBLBPVTLJPJJF-HJBMFWNLSA-N 486.380 5.401 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c1 731307187 FUXCWCVWMBXZCR-JPYJTQIMSA-N 474.586 5.126 30 20 JKED CCOC(=O)/C(=C/c1cccc(OCc2ccccc2C#N)c1)c1nccn1Cc1ccccc1 731318684 JVKLBWGWYVPCDK-OVVQPSECSA-N 463.537 5.486 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 746697934 QCHQNXSUMZLTJG-FQEVSTJZSA-N 495.979 5.395 30 20 JKED Cc1nc(C(C)(C)C)sc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 747259188 QZNPMPJWNMLBRV-UHFFFAOYSA-N 482.581 5.022 30 20 JKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC)c(OCCCC#N)c3)c12 747361268 JQMRXTQODNUXRN-ACCUITESSA-N 454.530 5.371 30 20 JKED COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1OCCCC#N 747361490 QDDUAAHYYACPGO-AQTBWJFISA-N 468.966 5.527 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2CCc2nccs2)cc1 747603278 RIPOONSYBCHHIR-JOCHJYFZSA-N 492.670 5.147 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 750842488 UUFWHGCMRGRXHC-XMMPIXPASA-N 453.498 5.262 30 20 JKED COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 751127970 DEBNEPDAMYTBLI-UHFFFAOYSA-N 492.500 5.264 30 20 JKED Cc1oc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)c(C#N)c1C 821701885 XAANFJGMFZKOGI-ATVHPVEESA-N 467.481 5.192 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O)Nc1ccccc1F 837300854 LMOBKNAMSDGHFO-IBGZPJMESA-N 457.527 5.187 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O)Nc1ccccc1F 837300858 LMOBKNAMSDGHFO-LJQANCHMSA-N 457.527 5.187 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1cccnc1 837328352 YINGILRIQHXQPV-ZHRRBRCNSA-N 496.995 5.904 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1nc2ccccc2s1 915098157 JEHVSHUMLBAKJH-KRWDZBQOSA-N 457.477 5.044 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cs2)cc1 915100276 OJGRFSFMQUHMSZ-NRFANRHFSA-N 459.596 5.881 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 915150928 CPPLLTZIRKAMBZ-UHFFFAOYSA-N 495.511 5.147 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1C 916216823 ZMTPFZRNNVKIBB-LJQANCHMSA-N 461.509 5.445 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 916217941 YRZBJWJOGFYRCP-NZQKXSOJSA-N 477.561 5.118 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)cs1 916305928 BVMPBLDPURKTMF-UHFFFAOYSA-N 474.929 5.264 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=Cc2cc3cccc(C)c3nc2Cl)nc1 916354361 KOSRPDIOTFIALU-UHFFFAOYSA-N 479.993 5.253 30 20 JKED FC(F)Oc1ccc(Br)cc1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546009 AUIIVAJYWNIYRU-UHFFFAOYSA-N 473.730 5.470 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Oc1ccccc1 916907083 HJKUYHFTNBWNTR-OAQYLSRUSA-N 485.927 6.067 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)n2)cc1 916974550 LQRVGNBYODDNMC-IAGOWNOFSA-N 480.387 5.110 30 20 JKED C=CCn1c(SC[C@@H](O)c2c(F)cccc2F)nc2scc(-c3cccs3)c2c1=O 916976049 LYVGDVAPDTZCCV-OAHLLOKOSA-N 462.568 5.476 30 20 JKED C=CCn1c(SC[C@H](O)c2cccc(C(F)(F)F)c2)nnc1-c1ccc(Br)cc1 916981534 QWRQHYDHOFHVPO-KRWDZBQOSA-N 484.341 5.738 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 917507385 VWTFLXDUFAGSHI-YRUATGHUSA-N 492.934 5.733 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)ccc2OC(F)F)SC1=S 917644940 ORLSKKAPWVVKGF-OVCLIPMQSA-N 467.316 5.328 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)c1 917671295 STVDJQFNWROJLX-XMMPIXPASA-N 487.629 5.179 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)c1 917677384 DBVGVMVEVNVRBF-OAQYLSRUSA-N 467.591 5.665 30 20 JKED O=C(/C(=C/c1ccc(F)cc1)c1cccs1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918672528 STCZNAADLKTUIM-PAONJLBZSA-N 451.407 6.017 30 20 JKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 919654192 FTCMKRQGDHWIGL-UHFFFAOYSA-N 455.480 5.128 30 20 JKED 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5.336 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(F)c(F)c(F)c3)CCC2)cc1 1786370181 UWKYYZUUGJOJIL-IZZDOVSWSA-N 472.507 5.234 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)s3)cc2)CCC1 1786976730 ABIWXGYWOYJGAJ-SFHVURJKSA-N 487.597 5.104 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4csc(-n5ncc6ccccc65)n4)cc3)CCC2)C1 1787135194 VPPSJQXZJKWTTK-UHFFFAOYSA-N 483.597 5.196 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)[C@@H](S)C(C)C)CCC2)cc1 1788787387 QSJZRKICMOWFSY-SFHVURJKSA-N 454.514 5.309 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3(CNC(=O)OC(C)(C)C)CC3)CCC2)cc1 1789449952 YLZAMVBIEBIGOP-QFIPXVFZSA-N 481.637 5.194 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(O)nn4)cc3)CCC2)cc1 1789458190 OYSVUMLLWSWORO-XMMPIXPASA-N 482.584 5.365 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ncsc5[nH]4)cc3)CCC2)c(Cl)c1 1789668529 NGELEJNPNUTVNR-UHFFFAOYSA-N 475.961 5.211 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)cc2)CCC1 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C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1803081722 FOVSBRGPPPTSQL-RDGATRHJSA-N 485.550 5.117 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1803092640 ZHGRAFRHSMOFDG-AHWVRZQESA-N 475.633 5.347 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1803092655 ZLCHJOBKNHLPKD-BKMJKUGQSA-N 479.596 5.096 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)C1 1806065229 CPFUBSTZNFDARH-OAQYLSRUSA-N 471.494 5.112 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c1 1807965780 PPSVBTNPZRUYGL-BSDZUQITSA-N 484.581 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1809095345 GQQXQZIOQYNSRL-JYFHCDHNSA-N 470.617 5.250 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1)C(F)(F)F 1809213564 UBNVYCNSCPIJMQ-KXBFYZLASA-N 493.938 5.388 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1810169138 UCYSFOVLFAPJLU-BOCWGRARSA-N 483.612 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1810171957 JHDSKJGIHYZDPU-LZCXECNNSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810591994 XDIXKUIIHCYKAS-XZOYJPPVSA-N 470.013 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1811185934 HYBPLDZOFNJGKQ-KJYTXNCISA-N 486.660 5.160 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc4occ(Cl)c4c3)[C@H]2c2cccnc2)c1 1811436730 XBURJIUNGPGZCX-HFZDXXHNSA-N 498.970 5.295 30 20 JKED Cc1ccc(-c2ccccc2C(=O)NC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)[C@H]2c2cccnc2)cc1 1811530746 IGXXUKANXXHZRF-MSLLRLGPSA-N 487.669 5.331 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccnc1 1812019483 CXAXIFHLXURSPE-NOZRDPDXSA-N 463.622 5.182 30 20 JKED Cc1ccc2cc(C(=O)NC[C@H]3CCN(C(=O)Cc4ccc(C#N)cc4)[C@H]3c3cccnc3)sc2c1 1812218821 CHSVCHFTBXQVOW-YWEHKCAJSA-N 494.620 5.039 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1812596052 DXBICWIWTPHAPN-UWDQQESISA-N 480.052 5.465 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1812672298 VVUOIIQNHOINGF-AVRDEDQJSA-N 496.385 5.238 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1812755859 SVIRUJIMDAMWEU-CZZAQMAHSA-N 487.003 5.038 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1813062265 DQTVDDWZYJZLGJ-UHSQPCAPSA-N 461.650 5.637 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814735353 LCFKRQVVXHUNLX-DVECYGJZSA-N 487.629 5.087 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccccc1 1814934110 XEFCMNMYDKNRRA-PHIUQFCRSA-N 490.629 5.342 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)c1 1818595624 IMZKUDUCWGLTLZ-FQEVSTJZSA-N 473.533 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)[nH]n1 1819305341 RLNWSWHEWJPPNI-QFZWGZQFSA-N 475.637 5.235 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1819308142 WXPJKAUARYNPLA-NZQKXSOJSA-N 497.599 6.225 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)[nH]n1 1819552846 FWLBETDLJVSZRW-KRWDZBQOSA-N 495.958 5.358 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1819555969 MXNIQTOACBFDPN-FQEVSTJZSA-N 453.974 5.233 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820217689 LHGHTGJAZBTNKE-JOCHJYFZSA-N 491.979 5.018 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)cc1 1820527199 XFZKWQBLMLZDLB-OAQYLSRUSA-N 481.478 5.114 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(OCC3CC3)c2)n[nH]1 1821233906 PLGBRJHRQIPZLC-QFIPXVFZSA-N 494.636 5.505 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)n[nH]1 1821349887 YOULUPATXNCNGG-QHCPKHFHSA-N 493.558 5.206 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821528050 QSDPLNKHHOTWTH-KRWDZBQOSA-N 458.534 5.450 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 1822249545 LTRXMIPAUYKIKE-RMYQPGKMSA-N 485.426 5.180 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1822581330 KMMDBTNROIIATK-JOCHJYFZSA-N 483.572 5.446 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1)c1ccc(O)cc1 1822979817 COZBQSCBOPNLSA-FFCVWOAGSA-N 474.605 5.051 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)c2c1 1823215428 RGZYUIXZMJMVJI-SSOJOUAXSA-N 496.571 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)[nH]n2)c1 1823218305 QOOJVCDAFDVZKH-YADARESESA-N 475.637 5.949 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2C(F)(F)F)CC1 1823750695 RTOFVKRUARSHGA-QGZVFWFLSA-N 471.589 5.388 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)cc1 1823811975 HDMHBKXXQYQOLG-DQFDVREHSA-N 475.677 5.327 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)ON=C(C)C)CC1)c1ccccc1 1826421605 BSYZDISBIIGMHT-VNRZQXBUSA-N 469.670 5.237 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1)c1ccccc1 1827278177 AIBCFQSINZDLJT-BDYUSTAISA-N 497.639 5.567 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827345784 MOVCMPGRZUJGKU-QFIPXVFZSA-N 488.053 5.148 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)CC1 1827415205 YASQWBUWBWJYBS-HXUWFJFHSA-N 457.665 5.093 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)CC1 1827650937 PYLHUKOAQSLDCJ-SFHVURJKSA-N 469.548 5.228 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)CC1 1828779882 XAAXIDRXXNIKCF-AEFFLSMTSA-N 456.624 5.060 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1828906468 NTYMOEJAVSTNGT-SANMLTNESA-N 495.715 5.591 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)ccc3c2OCO3)CC1 1829066314 BDVPPKGRPAMSBT-FQEVSTJZSA-N 475.029 5.294 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1829068260 NFWNUPVEYHWYOP-NRFANRHFSA-N 491.072 5.583 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2F)CC1 1829878618 QYTZSOZSXGWYCK-XMMPIXPASA-N 456.678 5.110 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829936348 IJCGAEXYDBOXMU-VWLOTQADSA-N 497.561 5.443 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830057261 JPRZUBZBJVJQBL-SANMLTNESA-N 461.581 5.368 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1830114291 UOYOYLFTUJXDBA-XMMPIXPASA-N 480.008 5.076 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830257283 MGQFXKXQADBPQA-QHCPKHFHSA-N 475.555 5.557 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830661498 CKGOZVIOXKJPAX-NRFANRHFSA-N 483.049 5.030 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1831446744 PEMBLGAREPKVPL-LJQANCHMSA-N 490.925 5.386 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831860566 SWJHICBQJALDGR-YTMVLYRLSA-N 473.661 5.056 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1 1832632720 BESTZQAYEJEUHM-FNZWTVRRSA-N 469.585 5.607 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3F)CC2)cc1C#N 1832704477 LIEAHJQUUHRRKM-DEOSSOPVSA-N 495.570 5.171 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2cccc([C@H](F)c4cccc(F)c4)c2)C3)c1 1845486240 SYBCOUJDUNZYAI-VWLOTQADSA-N 489.497 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 1847769860 XQWCZZOLXJVZOT-VJBWXMMDSA-N 489.701 5.044 30 20 JKED COc1ccc(Nc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)s2)cc1 10084081 URSFYACGFAVPBO-UHFFFAOYSA-N 482.635 5.426 30 20 JKED CCCN1C(=S)N[C@H](c2cccc(C#N)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 11202695 PGALHUHWMNVJFN-HXUWFJFHSA-N 458.509 5.131 30 20 JKED COc1cc(-c2nnc(S[C@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)cc(OC)c1OC 11303296 NNYOOEVFDYHKQZ-QQHUYRGFSA-N 495.601 5.124 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccco3)n2CC(C)C)n(C2CCCC2)c1C 12810496 IMDCSURVMOPJNL-UHFFFAOYSA-N 466.611 5.330 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nc2sc3c(c2c1=O)CCC3 16715637 IQNLQONBYOCHOQ-HNNXBMFYSA-N 453.633 5.375 30 20 JKED COc1ccc([C@@H](CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)c2c[nH]c3ccccc23)cc1 19142868 UWJUPJUFTHXKKG-XMMPIXPASA-N 484.625 5.409 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2F)c1 21354293 BHCOKZDZYVLEHE-UHFFFAOYSA-N 479.360 5.766 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 21729933 UWNQBXAUUHWAQO-IBGZPJMESA-N 461.635 5.690 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1 22142319 AMANHLFGBZDADE-UHFFFAOYSA-N 466.946 5.330 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)COc3ccc(Oc4ccccc4)cc3)n2)C[C@@H](C)O1 22305411 LXEKBLMKDHUADZ-HDICACEKSA-N 453.564 5.212 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(C(CC)CC)cc2)cc1 22729773 YWBURQHWKPTCDA-UHFFFAOYSA-O 475.678 6.944 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)c1 23338886 JGYFRUIAKINVPQ-QFIPXVFZSA-N 496.640 5.682 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 27391071 QCSMMSOFSYLQIQ-UHFFFAOYSA-N 450.922 5.096 30 20 JKED C=CCn1c(SCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)nnc1-c1ccccc1 32316021 UDYNGMCITVBYTQ-UHFFFAOYSA-N 461.612 5.565 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 32503581 DFTWBQWIYWSOCW-UHFFFAOYSA-N 451.400 6.197 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nc2sccc2c1=O 36800043 GDILJGMOUNSDGH-NRFANRHFSA-N 477.611 5.515 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nc2ccccc2c1=O 71835594 NDESMGBSIAHBCV-UHFFFAOYSA-N 453.567 5.138 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 195650030 QJPWOYHQTUASBP-OAHLLOKOSA-N 468.848 5.388 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c1 255636209 YWWOUSPPCZSGEP-NRFANRHFSA-N 451.523 5.196 30 20 JKED O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 302924537 BSSSYQBDZFWZDY-UHFFFAOYSA-N 484.371 6.297 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)cc2)cc1 302998989 HVTSLVOBEPGFNC-UHFFFAOYSA-N 461.468 5.120 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC1 481194269 APDMBLXMEYZYQK-UHFFFAOYSA-N 467.598 5.079 30 20 JKED C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 483058474 KHDITGMOLKZHOK-SFTDATJTSA-N 471.626 5.249 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 484050360 WAAZATSZHKXURY-UHFFFAOYSA-N 484.625 5.776 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)cc2)cc1 490769726 PLRIRMRWOKHOFM-UHFFFAOYSA-N 487.625 5.399 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCc1cscn1 498337214 USPUFVLRRVHHBS-INIZCTEOSA-N 481.643 6.067 30 20 JKED C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500660836 CBHZLTSFTRSZHW-MRXNPFEDSA-N 478.478 5.058 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1 501432163 CVNNJXSQUCMGPS-UHFFFAOYSA-N 469.566 5.928 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 501874485 SWVBDHQJCVMAOL-UHFFFAOYSA-N 463.419 5.511 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 508253231 SKLBJJSEYLJTLH-UHFFFAOYSA-N 498.370 5.415 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1 508275615 QECGMYQQEYYLDZ-UHFFFAOYSA-N 481.556 5.846 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 508389054 MYPZQHDQBIWWSQ-UHFFFAOYSA-N 453.477 5.120 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCc2cccc(C#N)c2)nnc1-c1cccs1 510367794 UHGZMGAZTYTUDE-IDPBPBMLSA-N 477.659 5.284 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)c2)c1 510398649 SQHUIKCRTHPQIK-UHFFFAOYSA-N 464.481 5.505 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1 511001751 RCMXPZLNHIWESP-JOCHJYFZSA-N 460.622 5.054 30 20 JKED CC[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N1CCc2ccccc2C1 511306289 NIABCJNNENFGBS-AREMUKBSSA-N 468.601 5.290 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nnc1-c1ccccc1F 514358607 SONHTNHENCSEKK-OAHLLOKOSA-N 489.414 5.172 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(Br)cc3)n2)nnc1-c1ccccc1OC 514584641 YJXNRKVKCVVOJF-UHFFFAOYSA-N 499.459 6.318 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 514651485 ZLLXCONVOCOUFK-UHFFFAOYSA-N 487.931 5.760 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)C[C@@H]2CCCC[C@H]21 515062310 ZFERZBWUOUQCBD-PMOQBDJRSA-N 486.597 5.102 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 517524690 FIXQMRHQQAKLQT-QVKFZJNVSA-N 470.019 5.640 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)n2)cc1 517800977 UBKOLQRRMLZAOS-QHCPKHFHSA-N 492.560 6.334 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(NC(=O)c4ccncc4)cc3)c2)cc1 517905935 RIQCFEOPVYLADH-UHFFFAOYSA-N 463.497 5.320 30 20 JKED C=CCN(C(=O)COc1ccccc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 518170916 HBQGAESCHJRBSU-UHFFFAOYSA-N 463.437 5.335 30 20 JKED CCOc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 519878243 BIPXRFNQSLCVPO-SBUREZEXSA-N 461.949 5.210 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc(-c2ccc(Cl)cc2)cs1 520198700 CKGBNXHLXTXEHN-MRXNPFEDSA-N 479.970 5.848 30 20 JKED C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520388921 MNJPSUSNDYEWRL-INIZCTEOSA-N 465.893 5.299 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OCC(=O)N1CCCCC1 521355896 HUZJSSYPQFNSHR-UHFFFAOYSA-N 499.567 5.393 30 20 JKED COc1cc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)ccc1OCc1ccccc1 522569475 QBLYTHGGLAOXDA-HXUWFJFHSA-N 482.536 5.809 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1Cl 522748295 MGCIXQFNKIPPHW-IBGZPJMESA-N 499.855 5.986 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)c2)cc1 524707246 FOGJRORZMQCICZ-UHFFFAOYSA-N 477.520 5.475 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)cc1 589810301 MZNNRTIZXJOBTC-HSZRJFAPSA-N 499.533 5.212 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 603672257 RZIYRPLPFCNWQJ-UHFFFAOYSA-N 451.551 5.968 30 20 JKED CC(C)(C)C(=O)N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 603807785 XWYSFCLENSJIRQ-NRFANRHFSA-N 452.986 5.154 30 20 JKED COc1ccc(C[C@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c2ccccc2)cc1OC 608949127 UCNJJAREXVHOFO-QHCPKHFHSA-N 475.614 5.088 30 20 JKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(OCc2ccccc2)cc1 609028651 LMZBHUNDTNGQAY-DEOSSOPVSA-N 467.550 5.574 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1C 609061962 MUVHWMIJZJBCQS-UHFFFAOYSA-N 491.613 5.037 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](c4nc(-c5ccc(Cl)cc5)no4)C3)o2)cc1 609072476 SWHSJOINEIUYKU-LJQANCHMSA-N 488.931 5.453 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c(C)c1 609175765 BBNIIMBZMOMREU-UHFFFAOYSA-N 489.597 5.007 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 609402917 URACYVNKFNKVQA-HJPURHCSSA-N 481.980 5.575 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 609427484 DHGIUIWKIFKHJU-CQSZACIVSA-N 488.009 6.748 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 609438842 WLRNRLIMXDTALK-VFNWGFHPSA-N 486.435 5.439 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(CNCCSCc2ccccc2C#N)cs1 611560047 GWBLADVQWPFPJI-UHFFFAOYSA-N 457.024 5.376 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 612804541 QACYEVFXHISVTL-FICVDOATSA-N 491.398 5.447 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)n2)cc1 613315243 FITFKHVQAJFFSA-AVRDEDQJSA-N 479.627 5.172 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2OCC)nnc1-c1ccc(Cl)cc1Cl 614822478 XLLYIVUZCDBZKM-UHFFFAOYSA-N 477.417 5.876 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 622255337 NSAPGIFIFIOLBZ-CYBMUJFWSA-N 453.495 5.710 30 20 JKED O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(Cl)c1 642333129 APPSRAOHNGLCQG-YUMQZZPRSA-N 475.785 5.129 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(Cl)cc1 644490532 YXZXSDXZXVBXKD-UHFFFAOYSA-N 493.036 5.708 30 20 JKED O=C(C[C@H]1S/C(=N\CCc2ccccn2)N(C2CCCC2)C1=O)Nc1cccc(Cl)c1Cl 726107423 CRAVPEFPIHKJSW-DASRABTFSA-N 491.444 5.202 30 20 JKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)ccc1-c1ccc(Br)cc1 726320124 SPPPOODWIKNIMQ-OAHLLOKOSA-N 456.727 5.069 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CC[C@@H](C)OC)C2=O)cc1 726396568 FPKABGIPGLDIHV-IIBYNOLFSA-N 490.025 5.124 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 727589151 LCAULTFUKNTVIV-AZGAKELHSA-N 484.987 5.975 30 20 JKED CSc1nnc(CCCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1C1CCCC1 728116829 SUKJUBKLDWNTBE-QHCPKHFHSA-N 474.634 5.525 30 20 JKED Cc1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C)n1-c1ccc(C#N)cc1 728267151 DCLYSVWEAWQOLO-FVQHAEBGSA-N 457.418 5.605 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(CCCCC#N)C2=O)cc1Cl 728779377 YZZRDOSSTNCBLC-JOCHJYFZSA-N 499.036 5.620 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729144765 FIIYNSYMEOOIDU-VWNXMTODSA-N 483.609 5.222 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)c1 729634747 SEAVSPIXIXGTBW-HSZRJFAPSA-N 476.577 5.252 30 20 JKED N#CCn1c(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cc2ccccc21 729648144 LRHXCRYTJYQCQC-UHFFFAOYSA-N 465.421 5.066 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cccc(C(C)C)c2)cc1 729670341 PDTAFBYEJMUWFU-UHFFFAOYSA-O 465.595 5.481 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(C2CCCC2)C1=O 730537198 PIAKCYFSEMEZSL-OAQYLSRUSA-N 455.555 5.046 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730685103 BQTLAQUXMARFFM-OAGGEKHMSA-N 455.313 5.759 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730932337 PDKKLKQONVNRHQ-UHFFFAOYSA-N 489.016 5.225 30 20 JKED CSCc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)oc2ccccc12 731061064 UHFQMSWXAPKYBB-OAHLLOKOSA-N 454.573 5.343 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C[C@@H]2CCOc3ccccc32)C1=O)NC1CC1 731152682 SRAQYBGSTBOXAL-DFBJGRDBSA-N 485.609 5.006 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc3cccnc23)C1=O)Nc1cccc(O)c1 731305406 BSWFPZUKEDJIJI-QHCPKHFHSA-N 482.565 5.101 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccc(C)s2)cc1 731305962 QQXSADQSCQGVFR-ZHRRBRCNSA-N 495.626 5.492 30 20 JKED CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)ccc1OC 734743018 QAUPLHGXKZWBPG-SFHVURJKSA-N 486.977 5.300 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1OC 747112442 WWNBHSCFGYVAIC-INIZCTEOSA-N 490.368 5.024 30 20 JKED COc1ccc(/C=C(/Cl)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OCCCC#N 747361141 CLSRZTQSHIFFFY-FOWTUZBSSA-N 455.967 5.704 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCc3nccs3)C2=O)cc1 747598701 CYFSRGOVXDFNCN-NRFANRHFSA-N 478.643 5.271 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCc3nccs3)C2=O)c1 747599602 KUOIVZVUZJHQKW-JOCHJYFZSA-N 492.670 5.580 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747600921 ROUFDIKLNZEVMV-GOSISDBHSA-N 491.425 5.610 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCC(F)(F)F 750394299 FEYHRPLXBSMTEL-MRXNPFEDSA-N 489.277 5.223 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1 750394573 IFJQPZVAFBNWHQ-JTSKRJEESA-N 469.570 5.470 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799220281 BWJJTVFUDBVNGN-OAHLLOKOSA-N 459.852 5.002 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(C3CCN(C4CC4)CC3)C2=O)cc1 837422929 CTQDLVPMYHGXMO-RUZDIDTESA-N 490.673 5.199 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N([C@H](C)c3cccnc3)C2=O)c1 837427203 NZPQMIFVZQFLHZ-DVECYGJZSA-N 488.613 5.429 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1F 838570363 CTPKFRNGHVXQFW-GOSISDBHSA-N 485.478 5.600 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cc(Cl)ccc1OCc1cccnc1)CCCCC3 914691848 GYXKNJZFIWLOOH-UHFFFAOYSA-N 479.005 5.545 30 20 JKED N#C[C@@H](C(=O)CN1C(=O)CCOc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102946 LNTFNLPFOCSLSX-HNNXBMFYSA-N 472.353 5.109 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 915179699 GIUFSBQXDHRLSB-DEOSSOPVSA-N 455.583 5.309 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1SCc1ccc(Br)cc1 915529905 SICCPMXZKZCDNV-UHFFFAOYSA-N 487.400 5.470 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(COCc3ccccc3)cc2)cc1 915764244 PJGGCIGHBKZTTF-LJAQVGFWSA-N 489.575 5.314 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916210543 DPLNYTGIIGZILO-QGZVFWFLSA-N 467.900 5.482 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O 916210861 JUTKOUNXSFJPSL-QHCPKHFHSA-N 474.586 5.031 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C)cc1OC 916216059 OGCSZDONIPVVGJ-XMMPIXPASA-N 489.597 5.173 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc2ccccc12 916217585 QSXHQEMXOADGQM-HSZRJFAPSA-N 461.587 5.145 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946029 IRSOBVBMECLDNA-QGZVFWFLSA-N 477.735 5.367 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917045881 BXOKOJRBZGHMOC-GDBMZVCRSA-N 478.426 5.331 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)Nc1cccc(C(C)C)c1 917614299 RUBKEQLMYQABBA-UHFFFAOYSA-O 488.677 6.390 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)c(Cl)c2)s1 917657604 GGMYYSOKIPIQOY-KRWDZBQOSA-N 468.431 5.164 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccsc3)C2=O)cc1 917675573 PJMDAGYHGBEVLU-OAQYLSRUSA-N 465.600 5.307 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2S[C@H](C#N)Cc2ccccc2)cc1 917830316 OFIVAQNTTWEDFI-MQXJPVLKSA-N 467.550 5.336 30 20 JKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918546947 HBWPIDPAGKKODO-LYYOGKFUSA-N 477.030 5.158 30 20 JKED O=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918671637 GKWZCHDETPXBLY-HUUCEWRRSA-N 470.388 6.244 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)c1ccccc1C(F)(F)F 918748414 YRBLWOMMKWDTJV-GOSISDBHSA-N 469.916 5.541 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)cc1 920143429 ZRMSRJGMXDKADR-RBBKRZOGSA-N 462.534 5.064 30 20 JKED COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 920456715 CLSWQXJIRWTFDU-VWLOTQADSA-N 491.547 5.864 30 20 JKED COCc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)sc2cccc(F)c12 920807062 WZNGVCNOFILBDW-LLVKDONJSA-N 458.486 6.079 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3sccc3s2)C1 1778967147 JLGLMHSJSUJKBC-HYBUGGRVSA-N 460.665 5.083 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)cc3)CCC2)C1 1786119635 HPFHHHUBZFLRMG-HSZRJFAPSA-N 483.653 5.416 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3C)cc2)CCC1 1787047258 TULWUUDZCZKFJK-UHFFFAOYSA-N 482.422 5.669 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)cc3)CCC2)CC1 1788367734 SWRWMPXDQDIPCB-UHFFFAOYSA-N 460.921 5.046 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc[nH]c5nccc4-5)cc3)CCC2)c1Cl 1788458051 MLCWZANTDPUAQW-UHFFFAOYSA-N 469.932 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)C[C@@H]21 1788735748 IKFJBQCZTVFIHA-PTLVVNQVSA-N 485.024 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789455145 LWMAPIRJTQYMSN-HSZRJFAPSA-N 481.637 5.146 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)c(C#N)c1 1790473025 IYGDUNANJXBKBJ-UHFFFAOYSA-N 490.563 5.105 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc3)CCC2)C1 1790482428 NIILRMLFTRDFMR-WMZHIEFXSA-N 483.653 5.416 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3-c3ccccc3)CCC2)cc1 1790568173 NYIODYSFQGQKDH-LJQANCHMSA-N 474.561 5.199 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)cc2)CCC1 1790591325 QLEXQQLNQYHIJM-RUZDIDTESA-N 459.496 5.546 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4csc(-c5cccnc5)n4)CCC3)cc2)cc1 1790707090 CZDSOXBDFKNCTO-UHFFFAOYSA-N 493.592 5.333 30 20 JKED CCOc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707279 GWYHPSSBPVYRMS-UHFFFAOYSA-N 453.542 5.213 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(OC)cc4[nH]3)CCC2)cc1 1791298580 DKCSSTYZLSAOQH-UHFFFAOYSA-N 453.489 5.136 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CN(Cc3ccccc3)C(=O)OC)cc2)CCC1 1791493919 OFWNDLARGFJJOM-RUZDIDTESA-N 489.616 5.158 30 20 JKED CC(C)[C@H](C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1)c1ccc(F)cc1 1791506130 RWRDFJSAAYKFAJ-FLANDWEYSA-N 475.564 5.412 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1)c1ccc(O)cc1 1791642802 VWCSSUSLEXONKW-NRFANRHFSA-N 492.579 5.213 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)(F)F)c4)CCC3)cc2)c1 1792122910 VAQCYSWSBFEMQL-KRWDZBQOSA-N 492.501 5.789 30 20 JKED CC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)cc1 1792135453 ODVJVWRSJSVZAV-UHFFFAOYSA-N 489.692 5.444 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 1797939831 CVKLLQPXFXEGRW-YEUYTWOHSA-N 499.696 5.011 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cccnc3)cc1)C2 1798420866 QOZSHMUVZWUMRF-OOSCYNTBSA-N 473.693 5.052 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(F)F)cc2Cl)c1 1799252768 VZLHDPYDHWJBMG-FZDIXFNVSA-N 487.934 5.134 30 20 JKED Cc1cnc(Cl)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#Cc3ccccc3)cc2)c1 1800503120 OYHGKNBEMKRXTB-QEIWAGNOSA-N 483.999 5.009 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1802503469 PEFCSPWILBBQQG-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1802995719 UPWCRDKETLYARO-YGJADXPJSA-N 491.701 5.453 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1803089866 SCNVMCZXWAGOMY-DOEKTCAHSA-N 477.624 5.435 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1803559804 IRWFQORCJYBDKS-CYFREDJKSA-N 498.048 5.252 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1803988553 HNQHRBGFWZSPKW-ULVUTOHESA-N 479.587 5.449 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@@H](c4ccccc4)N(CC(C)C)CC(C)C)CC3)C2)C1 1804785363 AFOAYCIAPYAFOZ-MUUNZHRXSA-N 493.736 5.539 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)s3)[C@@H]2c2cccnc2)c1 1805530044 JNSWMTGLNYFBKC-CGYQNGNCSA-N 479.005 5.057 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(Cn4ccnc4)cc3)C2)CC1 1806896471 HZZFYFKFNJNECA-VAWYXSNFSA-N 488.676 5.168 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1810174099 LNJZTWGWFKXJOE-LEEZEASISA-N 496.995 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1811865543 KISBWSLCTCHSLL-RPLLCQBOSA-N 488.676 5.384 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)cc2Cl)[C@H]1c1cccnc1 1812983501 IFDZISMGHGPVFP-SKDKGQFXSA-N 482.024 5.152 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1 1813220585 LVXLIKRQMCNILO-IGKIAQTJSA-N 491.701 5.217 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1813865077 BDGYBQGJTJWCRR-NIJXNBFTSA-N 458.606 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(Cl)cc2Cl)n[nH]1 1814369680 MGHULXOQTTZBJF-QGZVFWFLSA-N 464.397 5.410 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1)c1ccccc1 1814739279 QWBSLUWRMNQSJU-CJFMBICVSA-N 469.589 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cnccc2C(F)(F)F)n[nH]1 1815793890 QLZGYQYRYXMJGW-HXUWFJFHSA-N 491.558 5.441 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c1Cl 1817826494 XHAVPQQBNSOIIJ-KRWDZBQOSA-N 479.949 5.362 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)n[nH]2)c1 1818931150 IUUBTMFZZGPFRZ-ZBNTXBBCSA-N 477.584 5.333 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)cc2F)[nH]n1 1819386754 HBCUEYZSTWPYFB-OAQYLSRUSA-N 472.612 5.045 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)n[nH]1 1819412169 CDLIAYZUWHWNLQ-CRONFRRJSA-N 462.619 5.058 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(C(C)(C)C)cn2)[nH]n1)c1ccccc1 1819519545 VGWCQTSOMSGEKI-QPPBQGQZSA-N 498.631 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1819556681 KANSQTFJFDUGSI-QFIPXVFZSA-N 477.609 5.367 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c1Cl 1821124817 AQZWSPHGQYYDSB-LJQANCHMSA-N 486.334 5.347 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823213215 RRGWZXYSQZRSIT-JXFKEZNVSA-N 477.590 5.117 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216140 CKIIEBQINXTSMN-CPJSRVTESA-N 469.589 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4cc[nH]n4)cc3)[nH]n2)c1 1823217129 QGOCLYWNOQNPEN-CJAUYULYSA-N 493.571 5.047 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3sccc3Cl)[nH]n2)c1 1823217227 JHLPNVUNWXROAL-LIRRHRJNSA-N 467.982 5.371 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)[nH]n2)cc1C#N 1823290741 NNUJHOVENBONAH-RBZOQEBVSA-N 483.572 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@]3(F)CCCC=C3F)n[nH]2)c1 1823588174 ICDUHHLOOMAUDJ-BXEPQMNJSA-N 467.520 5.088 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)cc1 1823681976 KIXMAGRMAATMCE-NDXXQBJSSA-N 494.639 5.305 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(Br)nc2C)CC1 1823752613 WPTPLBLIJQGQLQ-SFHVURJKSA-N 496.515 5.440 30 20 JKED C=CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)sc2C1 1823804950 VYVHNMMKBJEPRA-ZDUSSCGKSA-N 468.406 5.039 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823896230 RAOMRLGITUQLOM-IBVKSMDESA-N 461.581 5.308 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1 1823896621 XMFKCPJRZYZJSI-RUZDIDTESA-N 481.999 5.217 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C)c(Cl)c3)CC2)c1 1823908067 NXRRRGMIYIVEMC-RUZDIDTESA-N 480.008 5.076 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)CC1 1823986189 QSJAEJPQPKJUDU-GBXCKJPGSA-N 461.021 5.410 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1824824753 HYRJCPVQHYMWRP-AQBQYSGMSA-N 477.555 5.092 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)sc2C1 1824825288 BLRUQHGVUMZTCK-VNZMSGEBSA-N 494.705 5.177 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827770094 VBONOBRSMTVIAV-NRFANRHFSA-N 451.533 5.035 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c2s1 1828097742 XWGUCWJFUHMCOU-DEOSSOPVSA-N 472.614 5.024 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c(Cl)c1 1828673784 RMERGJXXHUYTTC-HSZRJFAPSA-N 493.032 5.368 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1828903937 PNDIGDSPQRVFAL-MHZLTWQESA-N 491.752 5.162 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829136455 BLJPSDRVNVHKDN-HXUWFJFHSA-N 451.533 5.035 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncccc3C(F)(F)F)CC2)c1 1829393217 RBQHOJXRNAFAOR-FDDCHVKYSA-N 498.549 5.275 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)c1Cl 1829689372 CBYWUEPCTZLBCK-IBGZPJMESA-N 460.361 5.005 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829692913 PSDQUBWZDNBZDO-UQBPGWFLSA-N 489.019 5.386 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)cc1 1830627013 GZZBMCWJWNPSRA-KDUQBOLBSA-N 480.612 5.181 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1830632239 GPMFLZAYYPCOFU-MUUNZHRXSA-N 498.671 5.290 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3ncccc23)CC1)c1ccccc1 1830919576 VFFJFKOYPXFEAZ-LEAFIULHSA-N 494.639 5.060 30 20 JKED COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1C 1832538158 ZOURUVLUZNAFCJ-RUZDIDTESA-N 482.741 5.288 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4ncccc4c3)CC2)c1 1832629731 VPTMKJSEDTZGTR-PZGXJGMVSA-N 494.639 5.338 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832687923 GASFCIMRQYMZKG-UGKGYDQZSA-N 464.984 5.620 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699937 RLRQETDQUSFCDR-SXOMAYOGSA-N 474.645 5.160 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)CC2)CC1 1838685796 ADMWHXUKMAOLAP-XUTJKUGGSA-N 486.056 5.040 30 20 JKED C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3cccc(Br)c3)cc2)C1 1845561281 DXDRPEBVHGGALX-GOSISDBHSA-N 467.407 5.145 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)C2(c4cccc(Cl)c4)CCCC2)C3)c1 1846829308 ZKCCUPWYXHSZQI-FQEVSTJZSA-N 476.020 5.296 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(C(F)(F)F)CC1 1847988933 GBGVOZXXLWISSH-YCWMGOOZSA-N 480.424 5.029 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2sccc2C#N)nc2sc3c(c2c1=O)CCCCC3 8621282 YWRZLIKXZROKOJ-CYBMUJFWSA-N 472.661 5.362 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10172426 IZLSAISSTNCIPV-UHFFFAOYSA-O 493.652 6.868 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179163 FAJDFJKQTYBZDA-UHFFFAOYSA-O 481.375 5.676 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179458 KEEJFJNODNFQHJ-UHFFFAOYSA-O 460.406 5.903 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(O)c2)cc1 10759792 LRROHZNMJCQQDL-UHFFFAOYSA-O 457.978 5.821 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1cccc(O)c1 11256537 RIZSHGDFCZUWDU-UHFFFAOYSA-O 466.797 5.999 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1 12700789 BLZWXYCBNFNBAS-UHFFFAOYSA-N 473.479 5.294 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 15248244 XWXZUMXPGCCZQF-UHFFFAOYSA-O 483.013 6.156 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3csc(-c4cccs4)n3)s2)cc1 17343391 KKKDFYMIMMGBCH-UHFFFAOYSA-N 455.615 5.068 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2scc(-c3ccccc3)c2c1=O 20047514 INCBVRWBBURZKC-INIZCTEOSA-N 472.595 6.214 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(C(C)C)n2Cc2ccco2)ccc1Cl 22133478 FYNJIVXQPSRLII-UHFFFAOYSA-N 457.987 5.044 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)n1-c1ccc(Cl)cc1 22137357 JCPWYHMEVGMIPF-QGZVFWFLSA-N 496.036 5.420 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(C)c2)cc1 22693586 VQRVVPONROSPFD-UHFFFAOYSA-O 459.513 5.751 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 22729552 FIZSJLTVBUPFCY-UHFFFAOYSA-O 471.671 6.603 30 20 JKED COc1ccc([C@H](C)NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 26195343 QVCBZHWKARFYFD-NSHDSACASA-N 475.364 5.549 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(Cl)cc1 26565168 UZFZFTZHSHWXNP-MRXNPFEDSA-N 495.992 5.539 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 29720990 NIGYUSRSJASYMG-JOCHJYFZSA-N 468.479 5.805 30 20 JKED C=CCn1c(SCC(=O)Nc2ccsc2C(=O)OC)nnc1-c1ccc(Cl)cc1Cl 29813158 FJSRAYDIADFTFB-UHFFFAOYSA-N 483.402 5.017 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nnc1-c1ccccc1C 68734831 FDDICVSRTWQTQT-UHFFFAOYSA-N 497.624 5.649 30 20 JKED CC(C)n1ncc2c(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cc(-c3cccs3)nc21 105391817 WSSUGTILKGFKJO-UHFFFAOYSA-N 497.580 5.649 30 20 JKED C#Cc1cccc(NC(=O)c2cc(S(=O)(=O)N(CC)c3ccccc3)c(Cl)cc2Cl)c1 105558814 SWSDAVLRLZUYME-UHFFFAOYSA-N 473.381 5.442 30 20 JKED C#CCN1CCC(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CC1 195640329 GBJYRNBDUDZUSA-NRFANRHFSA-N 454.401 5.068 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 195682783 KPGLQHGORNVYKJ-UHFFFAOYSA-N 461.974 5.648 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 476820660 CMYPECNQSADQRI-UHFFFAOYSA-N 455.461 5.685 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(-c4cccc(Cl)c4)nn3CCO)c2)cc1 484423445 HBJHYHJEYYXJDY-UHFFFAOYSA-N 458.905 5.112 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 500072872 KYAGFGZECLQEKM-UHFFFAOYSA-N 464.356 5.348 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)C(=O)N(C)CCC#N 501572060 AQZVEOSQMJEVPT-AWEZNQCLSA-N 460.390 5.094 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 502682477 VWAHOLSXJZVPJQ-IAGOWNOFSA-N 476.390 5.422 30 20 JKED N#CCc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)cc1 502877038 SPNPOZYNAGFYIO-UHFFFAOYSA-N 473.764 5.277 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)nnc1-c1ccccc1 505054952 LMUXMWLKRDIVGB-LJQANCHMSA-N 498.612 6.014 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3nccs3)cc2Cl)cc1 509194325 JJLFOXNAMZFHTP-JOCHJYFZSA-N 460.946 6.372 30 20 JKED C[C@H](Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 513208967 CULJZGYKMDXELZ-AWEZNQCLSA-N 453.329 5.556 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cs2)cc1 513677313 UMYKFJGONRCBMH-MRXNPFEDSA-N 476.583 5.288 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1ccccc1F 514586825 YRKPGHWVXNJBDD-OAHLLOKOSA-N 489.601 6.501 30 20 JKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 515216088 NJTOPTIZLHYRMA-UHFFFAOYSA-N 486.959 5.891 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)n1 516794435 CSIDDKNAFURLJQ-IBGZPJMESA-N 474.517 5.110 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(C(=O)Nc2ccccc2)c1 517451785 VKTXRGMYVAQHCC-IBGZPJMESA-N 475.639 6.063 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 518565391 URHBZPPTPQBBIN-INIZCTEOSA-N 456.527 5.118 30 20 JKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c3c(C)noc3n2)c(C)o1 518870017 NOTZYJJABBRRCF-INIZCTEOSA-N 490.491 6.300 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 520814530 DULXLWGDWGKYKS-IAGOWNOFSA-N 499.687 5.168 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(Oc3ccccc3)nc2)cc1 523943549 STNXPGRJBZKGSV-UHFFFAOYSA-N 466.516 5.797 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 524388686 SRBMLMVGBCFFIJ-MRXNPFEDSA-N 465.893 5.413 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 524563310 JYPBQTFNEWZOCC-OAHLLOKOSA-N 461.509 5.087 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 524707467 QWRSURTWVDXJMQ-HXUWFJFHSA-N 459.354 5.061 30 20 JKED O=C(NCc1nccn1CC(F)(F)F)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 551549752 XOGWPTRQMWFNFO-UHFFFAOYSA-N 476.352 5.717 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 588250288 YMKPDLNXVYIRAI-OAQYLSRUSA-N 489.551 5.101 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)nc2sccc2c1=O 588636300 LZACCMPLDJOWJI-REWPJTCUSA-N 478.639 5.212 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc4sc5ccccc5n34)c2C#N)C1 589939867 AJLVXKVJAKADTM-LBPRGKRZSA-N 453.618 5.123 30 20 JKED COc1ccc(CCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1Br 603477055 QLXRYYDJWSGHGA-UHFFFAOYSA-N 489.420 5.044 30 20 JKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccc(F)cc1 603717273 VLTYNZYMFKEZSR-NRFANRHFSA-N 460.509 5.117 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 604003125 CXTLXWIWBZUDST-RUZDIDTESA-N 461.949 5.191 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3C[C@H]3c3cccc(Br)c3)c2)c1 608841702 UAGJRYNJZPXGNN-VXKWHMMOSA-N 475.346 5.251 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 609060561 IMNKUYCFMPBFSA-UHFFFAOYSA-N 481.577 5.690 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](C)N1CCc2ccccc2C1 609078596 BQIIPINFVCYGHF-NRFANRHFSA-N 454.574 5.014 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(C(=O)C4CCCCC4)CC3)cc2Cl)c1 609079926 LKRRMESLTONVAE-UHFFFAOYSA-N 480.996 5.047 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 609398566 BOEFLHBKVGRBQN-KRWDZBQOSA-N 452.555 5.829 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Cl)c(Cl)c1 609403916 KRGPFUXPDYUIQM-KBXCAEBGSA-N 464.418 5.841 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCc1ccc(Cl)cc1 613401565 FOQHWFFLZYUWAU-SFHVURJKSA-N 481.886 6.162 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1 614999910 RZOMPWWXFYMLKR-UHFFFAOYSA-N 450.951 5.217 30 20 JKED Cc1ccc(-n2ncc(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2C(F)(F)F)cc1 618301319 NHVXWPMGOYFEOT-VXGBXAGGSA-N 473.339 5.402 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618554999 BVIAORLPDKDTOH-XBLOIYCDSA-N 482.309 5.668 30 20 JKED O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618558716 HFVMYYYYIIWIKJ-HBUWYVDXSA-N 482.827 6.341 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-n2cccn2)c1 642250836 SZBFFRBUSAQTJI-UHFFFAOYSA-N 492.988 5.159 30 20 JKED O=C(Nc1cccc(OCC(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642507668 SJYORKXNMADRQF-UWVGGRQHSA-N 452.317 5.659 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 642565681 RTOSSSPEEKAZDU-IGQOVBAYSA-N 491.398 5.343 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)nc2scc(-c3ccccc3)c2c1=O 670177820 QQFNNOPBRYMNPI-INIZCTEOSA-N 489.622 5.633 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3cccs3)C2=O)cc1 726407234 PSDRDTKMHQALRP-NRFANRHFSA-N 495.029 5.742 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc3ccc(SC(F)F)cc3s2)c1 726495644 FVNKHFAKCWSXED-UHFFFAOYSA-N 457.483 5.907 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)c(F)c2)c1C 727252202 SZOOEQCFGAIVQZ-HSZRJFAPSA-N 493.608 5.128 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 727592603 IVFHTIBZFLNJLX-UHFFFAOYSA-N 452.574 5.250 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1ccccc1OC(F)F 728062369 KECRPYCJSFZPFU-QGZVFWFLSA-N 451.473 5.486 30 20 JKED CN(CCOc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1)C1CCOCC1 728116607 NVXJJHINSICPQF-GDLZYMKVSA-N 498.627 5.153 30 20 JKED C#Cc1cccc(N(C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C(C)C)c1 728247373 CIONYEWUZXKELD-SFHVURJKSA-N 487.650 6.109 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc2F)c1 728391657 ASZOYESBCOIAKX-AREMUKBSSA-N 459.521 5.254 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C2/CN(c3ccccc3)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697911 ZRORMFUPLUBPTB-QBQZKLQCSA-N 489.575 5.825 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 728777123 IUXDUDSATJCMRZ-QHCPKHFHSA-N 474.561 5.633 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729069187 GRGKCLNLHFPUHO-DEOSSOPVSA-N 460.961 6.005 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@@H](c2ccccc2)C2CCC2)C1=O 729143438 RDRMPCJTBQAKMU-CTNGQTDRSA-N 459.974 5.088 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)O[C@H](C)C2 730473131 FICAVXGSARILNV-DEDYZTHKSA-N 452.554 5.806 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1 730711553 FBFDCDHPNCRYTJ-HXUWFJFHSA-N 468.966 5.105 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 730714804 XIRPOOUMZWLOKH-FXAWDEMLSA-N 479.631 5.185 30 20 JKED O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccccc1I 730949366 UQCOOILMRXTTBX-YFHOEESVSA-N 474.250 5.058 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nc(NCc2ccco2)ncc1Cl 730993867 DYVMOCOEYISIBE-UHFFFAOYSA-N 481.887 5.612 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731116899 KCFUVIWVWHNRPN-IDCNUPLLSA-N 470.429 5.190 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nnn1-c1ccc(-c2ccccc2)cc1 731288314 RSWHUWGAWSJLOJ-FQEVSTJZSA-N 490.350 5.511 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c1 731305631 FJAVYZOISXPVGW-NRFANRHFSA-N 465.600 5.231 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCCc2c[nH]c3ccccc23)C1=O)Nc1cccc(O)c1 731305658 FSXYEEXRFMPTBZ-VWLOTQADSA-N 498.608 5.467 30 20 JKED CC(C)CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731308294 YUBBTNMXWDEYST-OAQYLSRUSA-N 490.025 5.069 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(C)C)c1 731313572 ZWISANJPLXLKPT-XMMPIXPASA-N 488.613 5.380 30 20 JKED Cc1nnc(SCc2c(C(=O)OCCCOc3ccc(C#N)cc3)oc3ccccc23)s1 742955504 BYKSXHIOMIYTHY-UHFFFAOYSA-N 465.556 5.383 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(Cc2cccs2)C1=O 743524716 MBDNCXPENSXVCR-OAQYLSRUSA-N 483.590 5.365 30 20 JKED Cc1csc([C@@](O)(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 746819091 MPOLXWGZAXMPHS-ZDUSSCGKSA-N 466.325 5.268 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1cccc2ccccc12 747601926 WWUAFSVEVNCYBZ-JOCHJYFZSA-N 472.595 5.457 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)c(Cl)c2)n1 748035724 HZTMKOIGMAMINJ-HXUWFJFHSA-N 498.967 5.043 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cs2)cc1 749312504 HHJCJNGBJLXZFV-KRWDZBQOSA-N 481.549 5.229 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(Oc3ccccc3)nc2)C1=O 749442576 AYGMEXMWRUUYRG-DEOSSOPVSA-N 496.592 5.295 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(SC(F)F)cc1 799210784 WZCAQFDGSLWJJW-GOSISDBHSA-N 463.575 5.598 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1 811932247 JPRNYLFLHUZYQA-UHFFFAOYSA-N 492.388 5.097 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC(CCc3ccc(OCC)cc3)CC2)c1=S 813140964 NBCUEYTWRXTUOJ-UHFFFAOYSA-N 463.651 5.363 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccccn1 837285568 OYIQLFHJVBMYOY-XMSQKQJNSA-N 476.577 5.559 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccs2)c1 837363732 VECUFAUVCYWWJI-QFIPXVFZSA-N 479.627 5.534 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(Br)c1 883977675 RMJOBPSWCSSTOP-IUCAKERBSA-N 484.181 5.690 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(Cc2coc(-c3ccc(OC)cc3)n2)no1 904325583 GQQDPNSUIUGPFI-KRWDZBQOSA-N 460.918 5.032 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccc(Cl)nc2)c1 913481608 CGCWBUUTSCHGMG-UHFFFAOYSA-N 490.412 5.042 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)c1 916217362 LOKHPZFWEIYHFY-GOSISDBHSA-N 464.374 5.125 30 20 JKED O=[N+]([O-])c1ccc(NN=Cc2ccccc2C(F)(F)F)c(S(=O)(=O)Nc2ccccc2Cl)c1 916258033 IXGUBRWLGNQIPV-UHFFFAOYSA-N 498.870 5.514 30 20 JKED Cc1sc2ncn(N=Cc3ccc(OCc4ccccc4)cc3)c(=O)c2c1-c1ccccc1 916283647 MBJLTBHEUIQKQP-UHFFFAOYSA-N 451.551 5.895 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1 916708310 SYKNTOPBVFDGAF-RPWUZVMVSA-N 460.375 6.474 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)c1nc2ccccc2s1 916847590 KPIAFTPJXGPCLH-HNNXBMFYSA-N 480.343 5.323 30 20 JKED CCc1nc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2nc1CC 916904485 DWTJEOOVQZILNH-HXUWFJFHSA-N 464.525 5.508 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C2SCCS2)cc1 916907189 WWAZQQBZGFPKPS-FQEVSTJZSA-N 460.580 5.919 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 916913981 JCAMPYJIMPOAMB-IBGZPJMESA-N 463.559 5.131 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1 916928249 XEYNUDVDUJDQHQ-LBPRGKRZSA-N 450.372 5.377 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2[N+](=O)[O-])n1 916940507 UPBBFYIDHIKHFV-ZDUSSCGKSA-N 490.925 5.265 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 917119872 ZFIFUZAYDZSLBI-GMAHTHKFSA-N 452.583 5.807 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccccc3Oc3ccccc3)C2=O)ccc1OCC#N 917645420 YYYSGYQWUVGCLW-XQNSMLJCSA-N 474.563 5.796 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)c1OC 917678278 QXXOJHVJGDRYQB-JOCHJYFZSA-N 493.560 5.003 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)cc1 917682910 MGOKDQXCIJBPQL-JOCHJYFZSA-N 480.540 5.137 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 917682990 OOKOORHGVAZOHJ-IBGZPJMESA-N 479.524 5.011 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccsc3)C2=O)cc1 917683009 PGZXSCITMZWTIM-JOCHJYFZSA-N 477.611 5.420 30 20 JKED Cc1ccc(N2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 918036812 DDTGWMXGBPOSOD-RUZDIDTESA-N 458.993 6.048 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 918611359 CJIREJYXBARAMV-PNHLSOANSA-N 479.627 5.044 30 20 JKED O=C(c1csc(COc2ccc(F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918671856 OKWKCEXBHZBMET-PHIMTYICSA-N 456.383 5.064 30 20 JKED CC(=O)N(c1nc(/C=C2\COc3c(ccc(Cl)c3Cl)C2=O)cs1)c1ccc(F)cc1F 920066692 VNFCFDALYSFMDK-IZZDOVSWSA-N 481.307 6.071 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c2c1C 920110602 SMUNQOYDWVEVQT-GOSISDBHSA-N 460.584 5.291 30 20 JKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 920110641 SSZNALDKBJRVJG-CQSZACIVSA-N 472.191 5.586 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)n2)cc1 920139832 ZBDBVNUWQJIZQI-HXUWFJFHSA-N 474.542 5.076 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2cccc(NC(=O)CC(C)C)c2)C1=O 920751933 LUNXUUBARJNQAX-QHCPKHFHSA-N 494.661 5.062 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccccc1N(C)C(=O)c1cccs1 928973471 YUOVIYXVEYBKHS-UHFFFAOYSA-N 466.584 5.098 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3c(Cl)cccc3s2)C1 1778718084 FSERSGRLNGADKO-ZEQKJWHPSA-N 487.065 5.451 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC2CCC(C)(C)CC2)C1)c1ccccc1 1780814152 QOQOBPVCOWOARF-SWFBWHSRSA-N 492.704 5.304 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(Br)ccc5[nH]4)CCC3)cc2)C1 1785807471 DBWLNXMOVMGWED-UHFFFAOYSA-N 478.390 5.644 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CCC2)cc1 1786362724 VNFTWOCUTSEHBL-RBUKOAKNSA-N 486.534 5.067 30 20 JKED Cc1ncsc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1787424118 QSIIPKXUAGNYDG-UHFFFAOYSA-N 453.684 5.250 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789155206 ZXACWLFWEUBRTK-PKTZIBPZSA-N 480.992 5.087 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(OC)cc34)cc2)CCC1 1789275167 WMZDLWZEWMLMRG-UHFFFAOYSA-N 453.489 5.136 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5scnc5c4)cc3)CCC2)ccc1F 1789340618 CQRQSAXXVJPMRF-UHFFFAOYSA-N 484.556 5.297 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nccc(Cl)c3OC)CCC2)cc1 1789456304 RTANJLURLJGVGZ-LJQANCHMSA-N 453.970 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CNc4ccccc4O3)cc2)CCC1 1789472544 ORLAMKAKVHMPAU-QFIPXVFZSA-N 461.606 5.376 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1790567587 MUBWERSIWBNZIJ-LJQANCHMSA-N 498.583 5.977 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(N4CCOCC4)c3)cc2)CCC1 1790687803 QZURVMJJVWOMJZ-AREMUKBSSA-N 473.617 5.039 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccc(F)cc4F)CCC3)cc2)cc1 1790705268 PFJPXLPVKKBNHD-UHFFFAOYSA-N 491.563 5.571 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cnn(Cc5ccccc5)c4)CCC3)cc2)c1 1790764645 CGQQJHKVQFVDPU-UHFFFAOYSA-N 493.542 5.004 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cccc6cnccc56)CCC4)cc3)c2c1 1790836058 LDQPVDBOCRZNPI-UHFFFAOYSA-N 486.535 5.044 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1791583975 GTUHKTALOJDXQF-UHFFFAOYSA-N 453.464 5.128 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnn4C(C)C)CCC3)cc2)cc1C#N 1792168562 OTHMLJLMYKWOFP-UHFFFAOYSA-N 485.588 5.184 30 20 JKED Cc1ccc(S/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)cc1 1798390617 CJZOMXLVQNPNGI-PHUPPOLUSA-N 466.006 5.078 30 20 JKED Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(C#N)c3Cl)sc2c1 1799305918 VERCSDPBAQYCFF-REPLKXPHSA-N 463.990 5.300 30 20 JKED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1803455454 YBZBKVCQQBDAGC-YIXXDRMTSA-N 490.047 5.056 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCCC2(F)F)[C@@H]1c1cccnc1)c1ccccc1 1803731699 ACHOTZWXUIZMMJ-ZJSPYRCASA-N 493.598 5.110 30 20 JKED C=CC[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(C)(C)CC1)C2)NC(=O)OC(C)(C)C 1804009364 TVUBJFVCZGZOQJ-GPJHCHHRSA-N 489.701 5.091 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4c[nH]c(-c5ccc(F)cc5)c4)CC3)C2)cc1 1804755778 AKROKAKKONZHSS-UHFFFAOYSA-N 498.602 5.170 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)C1 1805043712 VITRTPNPESDQAE-UHFFFAOYSA-N 480.612 5.296 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1807840342 CUYNFAASPMCLFF-HFASVGIHSA-N 494.639 5.540 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1810181015 BKBPBNQETYXMIO-HDYLNDSGSA-N 492.063 5.631 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1810272517 OYANCAPDVONBBR-ABYGYWHVSA-N 497.715 5.606 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810273338 USXLYLUNXROYBP-WIOPSUGQSA-N 482.100 5.106 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 1810352159 YCBWXHQKCYBFJP-UHFFFAOYSA-N 478.596 5.087 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1810502408 ISMIBFVGFQWFPN-RPLLCQBOSA-N 488.676 5.384 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@H]1c1cccnc1 1811369388 VOSPTKDCQKQPJE-CMPZQBNXSA-N 497.920 5.425 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3c(Cl)c2OC)[C@@H]1c1cccnc1 1811438551 NRKSCRACSNNPKA-HCYUJWNOSA-N 492.019 5.429 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1811634063 WIXBZHDZXBINSR-MXUAVAHLSA-N 494.639 5.541 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1811948816 PBXWBRCNEHUAGU-UNMCSNQZSA-N 473.539 5.412 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1 1812147236 AOCZCUKVYQUJNM-SQHAQQRYSA-N 487.676 5.199 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1812932884 ATHKCJBAPKGZBW-WXVAWEFUSA-N 490.623 5.333 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813051877 XLSBARZCGVWQRY-ZHRRBRCNSA-N 478.807 5.165 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)c1 1815984595 GVVMRZRCUUOBML-JRKKULHRSA-N 459.575 5.118 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1)C(F)(F)F 1816464555 IZIBRYYXQJPHPY-INIZCTEOSA-N 452.477 5.033 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc3ccccc3c2)n[nH]1 1816826197 LFBCXBABYDSDKA-ZCYQVOJMSA-N 456.590 5.566 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1817098751 AAOHWLIWXCBWPK-HNNXBMFYSA-N 480.384 5.216 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c(Cl)c1 1821277213 NMQFISSCSVONEE-NRFANRHFSA-N 493.354 5.080 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821363981 JJESLBOHRJNITC-OSPHWJPCSA-N 494.542 5.252 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4c(Cl)cccc34)n[nH]2)c1 1821543218 MALCCUKNCOHCCH-NRFANRHFSA-N 472.936 5.036 30 20 JKED COc1cccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1C 1822243326 HNKTVEMSBJXBPM-QHCPKHFHSA-N 494.712 5.013 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)[nH]n1 1822581213 GROBTEJHFSGWBU-NRFANRHFSA-N 499.949 5.389 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)[nH]n2)c1 1823210530 GZLMXEMNJLLWBS-LKUPVBHCSA-N 469.536 5.168 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n[nH]1 1823295598 SGYKWDZDDHHORS-MRXNPFEDSA-N 474.405 5.085 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824054555 ZPCCYJBOTQUALO-VWLOTQADSA-N 479.571 5.011 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](S)C(C)C)CC1 1824539531 NINREYGWHHBZGD-RSXGOPAZSA-N 479.690 5.245 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1824541519 DKAGMXBSFZGBHR-DHIUTWEWSA-N 474.070 5.076 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC#N)CC2)cc(C(C)(C)C)c1 1826320584 DCNCTIOTPQCINC-DEOSSOPVSA-N 451.655 5.429 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)c1 1826683270 LRZFFXXPFNNDDM-JOCHJYFZSA-N 486.454 5.110 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1827332657 CKSSAXYHMJKMDF-MUUNZHRXSA-N 492.623 5.476 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827735449 PXBIOFUYWBBRMI-OAQYLSRUSA-N 490.978 6.045 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1828822286 HVBAHOZFPVNWEM-IFMALSPDSA-N 493.570 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1 1829068042 BDISTQDGPOKELI-DEOSSOPVSA-N 479.665 5.017 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2SCc2ccccc2)CC1 1829492727 MIAYVHCQAQQFDL-VWLOTQADSA-N 475.658 5.021 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)c1Cl 1829692612 LQGJBCXMWFWSMJ-ILBGXUMGSA-N 476.020 5.175 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c1 1830013108 RHPNUERRQBVNNQ-LJAQVGFWSA-N 492.623 5.476 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830054765 YTTSTOQIJOBZNT-DEOSSOPVSA-N 483.534 5.433 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3oc4ccccc4c3C)CC2)c(C#N)c1 1830288202 KTPVBUUBEKVFJG-SANMLTNESA-N 499.611 5.098 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCc3ccccc3F)CC2)ccc1F 1830359527 RSCBSLOEBGHPNS-HHHXNRCGSA-N 493.598 5.022 30 20 JKED COc1cc(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830462026 PWLGRCWICINHSY-RUZDIDTESA-N 480.008 5.076 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc4cc(Br)ccc4c3)CC2)C1 1830930572 AHBXSGJGRFDRHC-XMMPIXPASA-N 496.449 5.197 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)cc1 1830967502 CYWVBUDTEAMIEG-AREMUKBSSA-N 486.641 5.034 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1831367598 KVLNDJPTMAEQRJ-QPTUXGOLSA-N 491.717 5.148 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1831842074 HWWPNDOEUXHPFP-HTAPYJJXSA-N 481.687 5.448 30 20 JKED CC1(C)CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1 1831931205 QSCMVSLCIPPWMF-QFIPXVFZSA-N 475.555 5.247 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1832028803 CTLGRWQMXHYOCF-XMMPIXPASA-N 461.606 5.077 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703188 HLWGOTCMOMYUKH-UIOOFZCWSA-N 477.649 5.347 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)CC1 1833076396 CBUSCOJVBRIMDZ-UHFFFAOYSA-N 497.083 5.066 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc3c(c2)CCCC3)c1 10179792 QHEQAIOUVSLORD-UHFFFAOYSA-O 473.618 5.292 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1C#N 10711216 YPKUWYBPHFTEJG-UHFFFAOYSA-N 473.579 5.539 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc2c(c1)CCCC2 11153320 UWXWJPIKFRMEJF-UHFFFAOYSA-O 451.562 5.799 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1cccc(C)c1 11810265 IAIZFLUAZHLRAV-GOSISDBHSA-N 467.664 5.743 30 20 JKED N#Cc1cccc(CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)c1 12344159 AZYYWJOSKWMNOZ-UHFFFAOYSA-N 455.534 5.019 30 20 JKED O=C(C[C@@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1ccc2ccccc2c1 15231783 RJKUVLWIXYFSCX-VWLOTQADSA-N 481.577 5.667 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)[nH]2)cc1 16686872 KNSHTENKJQNLJI-UHFFFAOYSA-N 464.595 5.006 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Br)s3)o2)nc2sc(C)c(C)c2c1=O 18352308 PAPSKMKXQURKRK-UHFFFAOYSA-N 495.449 5.427 30 20 JKED CC(C)Cn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1F 21582983 MCENAVYRYDIVBP-AWEZNQCLSA-N 469.611 5.281 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731320 IRNPOFQEEYIRSF-UHFFFAOYSA-O 481.641 6.187 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccs2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 24770482 HJOKSJXGCUMLLC-AWEZNQCLSA-N 499.658 5.790 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)CC1 28298340 QXQQODQRTVCPCC-HAGIAJHRSA-N 494.709 5.226 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(OC)c(Br)c2)cc1OC 30912967 PQYQWNCVQXTRJD-ZDUSSCGKSA-N 485.216 5.644 30 20 JKED N#Cc1c(CCCNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)nn(-c2ccccc2)c1N 31556093 FEAHVLQNRRVJIB-UHFFFAOYSA-N 491.551 5.014 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nncn4C)c3C#N)C(C)(C)C2)o1 96488328 ZSNOKVVEBALTIX-VURMDHGXSA-N 465.604 5.159 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 105736381 RUQPCASPBIBDEY-UHFFFAOYSA-N 458.543 5.680 30 20 JKED CCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@@H](C)c1ccc(C#N)cc1 105908225 HZMZLCLAGIQTKS-HNNXBMFYSA-N 464.919 5.452 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2cccnc2)nc2ccccc12 110480330 GJOJHXHNAPEFBD-UHFFFAOYSA-N 457.493 5.917 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)nnc1-c1cccc(C)c1 302952290 KKIQLNVAHIDUEK-RUZDIDTESA-N 486.666 5.767 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1I 303013575 PIJOKJPXCVYPHC-UHFFFAOYSA-N 454.267 5.516 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481738291 HAZLHRSJNJDGCU-VWLOTQADSA-N 489.547 5.498 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](CNC(=O)Nc4cccc(F)c4)C3)c2)cc1 486243286 IOIBWWAAPFUUMM-FQEVSTJZSA-N 472.520 5.164 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCSc3ccccc32)c1 492755226 UJDMERVLDCIRID-OAQYLSRUSA-N 459.596 5.256 30 20 JKED COc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)N(CCC#N)c4cc(C)cc(C)c4)n3c2c1 498025869 HGNNVNRMIFKBEE-LJQANCHMSA-N 473.602 5.244 30 20 JKED C=CCN(C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1nc(C(=O)OCC)cs1 501939800 DTIIAFBETFEHJN-UHFFFAOYSA-N 496.585 6.330 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510214037 VIMAGWXZDBTQCA-UHFFFAOYSA-N 464.403 5.673 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 510311069 RBMBXSTVTQNNQE-UHFFFAOYSA-N 497.477 5.510 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc(OC)c1OCc1ccccc1 513154009 ITSGNPGCYAKOEA-SFHVURJKSA-N 456.420 5.187 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1ccccc1OC(F)F 516744076 YLOLXVYJELOGKF-MRXNPFEDSA-N 465.456 5.076 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1 517076506 MUIDYTSOJJFLMD-UHFFFAOYSA-N 459.590 5.338 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CNC(=O)c4cccs4)cc3)n2)cc1 517800757 GKGCHMFLQXMIOT-HXUWFJFHSA-N 473.579 5.300 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)c1 518232675 TURHRNUIJZSRPQ-OZXSUGGESA-N 473.529 5.019 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cccc2ncccc12 518258896 BBSFKUWIMHVUHM-GOSISDBHSA-N 470.945 5.391 30 20 JKED Cc1cccn2cc(COc3ccc(C(=O)Nc4ccccc4SC[C@@H](C)C#N)cc3)nc12 518667955 QWIXPJMVEMBCOF-SFHVURJKSA-N 456.571 5.726 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 518682059 PSOIWTKBRTZOFV-KRWDZBQOSA-N 476.568 5.743 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 521123348 UKDGJENRRBJVPM-SFHVURJKSA-N 453.539 5.384 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 521270581 XZENMBBKBVNOFU-UHFFFAOYSA-N 496.361 5.182 30 20 JKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2cc(C)nn2CCC#N)c1OC 522744536 IYHQDUBKEFEHSD-ZPHPHTNESA-N 493.567 5.410 30 20 JKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)CCc1c(C)nn(CCC#N)c1C 524406180 LFQCVIVJPCDMBM-UHFFFAOYSA-N 450.970 5.526 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)c(C)c1 590325317 LLWSFPNQPHBHET-UHFFFAOYSA-N 481.596 6.189 30 20 JKED CC[C@H](C)Cc1c(C)sc2nc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3OC)nc(O)c12 598795129 GATLNPJJWWMQDQ-DOTOQJQBSA-N 498.674 5.730 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 602225255 AINPBPWMZMCJII-UHFFFAOYSA-N 461.572 5.150 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CSc3ccc4c(c3)OCCO4)s2)c(C(F)(F)F)c1 603672836 YNUXIRKBFYJATQ-UHFFFAOYSA-N 491.516 5.126 30 20 JKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(NC(=O)c2ccccc2)c1 603682111 PTWXYDKTTNJELN-JOCHJYFZSA-N 461.565 6.240 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1Cl 603758805 IZHVTAUXUGNHJX-IBGZPJMESA-N 493.013 5.947 30 20 JKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 603910328 OYYSOFQXCCOCCE-UHFFFAOYSA-N 451.482 5.543 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)c2)cc1 604139466 LOZMMDZNJKXNSN-SANMLTNESA-N 499.567 5.377 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 604522928 YFAKHFHMJPVVKG-KCWPFWIISA-N 455.558 6.291 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 608935649 YYGZEICASFESSJ-UHFFFAOYSA-N 492.423 5.542 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1I 609090137 ZPTXGLZDNBQQFK-GFCCVEGCSA-N 452.704 5.353 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609184791 HLHUWXFVXSDTCR-UHFFFAOYSA-N 483.399 5.280 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 609371108 ZRYGJEMIUAJOCK-HNNXBMFYSA-N 488.038 5.173 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3N(C)C(=O)c3cccs3)n2)cc1 613318183 ONEKJWJIOQHNGR-LJQANCHMSA-N 457.580 5.947 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cc1 613404416 QRHYTHURGVRDMS-FQEVSTJZSA-N 479.508 5.204 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300910 HLCZQVGTNOYVCF-CHWSQXEVSA-N 490.391 6.340 30 20 JKED N#C[C@@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 619753770 APESHXDEXUFUPE-KRWDZBQOSA-N 453.445 5.779 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 677814901 PUKWQMPFEZCYFD-DLBZAZTESA-N 498.722 5.181 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1Cl 726408224 YAKQBNTUXBXHDG-GOSISDBHSA-N 492.910 5.353 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(C3CCCC3)C2=O)c1 726418992 GIGVCTAIIJCQBO-OVRHBKGWSA-N 487.647 5.098 30 20 JKED CCN(C[C@@H](C)C#N)Cn1nc(CSc2nc3ccccc3s2)n(-c2ccccc2)c1=S 726963548 GVZWEGFVOCOQNW-KRWDZBQOSA-N 480.688 5.744 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(I)c2)cc1 728147561 IXEQKNHOJYGFMD-FZKQIMNGSA-N 460.315 5.074 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(N2CCCC2=O)cc1 728392424 JJANEQVDSKINKF-SFHVURJKSA-N 472.520 5.286 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CCCCC#N 728780674 WOWSIGXBMPBCGE-QHCPKHFHSA-N 462.619 5.520 30 20 JKED CCc1c(C)sc(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2F)c1C#N 729182574 UFGBNIAFJXOCHC-CQSZACIVSA-N 483.590 5.022 30 20 JKED COc1ccc(-n2c(SCc3ccc(OCC#N)cc3)nnc2-c2ccccc2OC)cc1 729240992 AOPKDVHOTBMPAG-UHFFFAOYSA-N 458.543 5.146 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)cc1 729631877 MFKBFWDEJJYZEW-ULOJKKRISA-N 478.643 5.350 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943976 OSKPJKZKTNKLLF-KSFYIVLOSA-N 496.995 5.904 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944519 XNPLINGYRHWTLI-JTSKRJEESA-N 462.550 5.251 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCc2cc(F)cc(F)c2)C1=O)Nc1cccc(O)c1 731310769 PMVFQEKYPDPGRB-JOCHJYFZSA-N 499.514 5.013 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731311623 DCFGPKGCXUWKCD-HSZRJFAPSA-N 487.606 5.767 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744936599 ULGUXSHEHJUVNN-CYBMUJFWSA-N 460.342 5.477 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(C)cc2C)nc1C 746417421 XUNFVCZCNALGPM-KRWDZBQOSA-N 467.978 5.667 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 746661369 WHRZESNDBLSZJF-UHFFFAOYSA-N 475.618 5.208 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 746697237 BXSCDJARZDBNKR-FQEVSTJZSA-N 477.989 5.256 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cscn2)C1=O)NCc1ccccc1 747603769 XKLDRZNEVGWOKG-QHCPKHFHSA-N 486.622 5.135 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)cs2)cc1 749313460 SABCMVJCNCMGTJ-SFHVURJKSA-N 463.559 5.089 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccn(-c3ccccc3)n2)C1=O)Nc1ccccc1 750917961 ZLWVVKJGJMAPAR-VWLOTQADSA-N 495.608 5.075 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)NC[C@@H](CCC)c3ccc(Cl)cc3Cl)cnc21 791560273 FJRZOLDRUTWFBB-CYBMUJFWSA-N 497.473 5.182 30 20 JKED N#C[C@H](C(=O)CSc1nc(-c2ccc(F)cc2)cs1)c1nc(-c2ccccc2)cs1 807738302 CSKPKBCHJVBDDX-QGZVFWFLSA-N 451.573 6.041 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2cccnc2)c1 837348846 DVSQBFZVHNNKOM-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 837526102 YPWSFAJXAJLPCK-IIBYNOLFSA-N 464.978 5.457 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 838392140 RKJCNYOUEIFEJF-VFNWGFHPSA-N 499.423 6.110 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC(C)C 838503755 FLTSRAXWAGTRPQ-IBGZPJMESA-N 479.524 5.330 30 20 JKED N#Cc1ccc(N2CC[C@@H](c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)C2)c(F)c1 904490063 PHXLDLHYAVNIAE-OAQYLSRUSA-N 464.504 5.139 30 20 JKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2cnn(Cc3cccs3)c2n1 915086667 WBTUSUAZUHRBSW-DEOSSOPVSA-N 463.566 5.757 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)nc(O)c2c1C 915106918 IXMRXCYFDKWQCB-STQMWFEESA-N 487.557 5.257 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2OC)cc1F 915111659 OEQBNMTYPBLPHH-QHCPKHFHSA-N 493.560 5.003 30 20 JKED C[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 915512536 YAGQYVQUWNDKCX-GFCCVEGCSA-N 490.384 5.017 30 20 JKED CNS(=O)(=O)c1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 915989445 HEPNHFIGIZGSMC-DHZHZOJOSA-N 489.380 5.050 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(Br)s1 916273050 QFFMUKQOJJUQBT-UHFFFAOYSA-N 464.797 5.793 30 20 JKED CCOc1cccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c1OC(F)F 916278742 SNYRXLKNNDSHGI-UHFFFAOYSA-N 454.502 5.193 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCOc1ccc(Cl)cc1Cl 916902681 IOVNBOWFTXXZIC-AWEZNQCLSA-N 469.752 5.470 30 20 JKED CCCCCn1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2c1=O 916912008 YVFPSEJRTDEIEH-HSZRJFAPSA-N 494.551 5.340 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1Cl 916941251 QWHYVSAVWXPVOQ-UGAXZCSASA-N 471.365 6.091 30 20 JKED COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1c(C)noc1C 916972184 KOUZBWLVXLLALM-NDEHPHGNSA-N 499.592 6.201 30 20 JKED COc1cc(C(=O)/C=C/c2cc(Br)c(OC(F)F)c(OC)c2)ccc1OC(F)F 917142683 MSPDWHPVHCAMIC-HWKANZROSA-N 479.220 5.565 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 917426501 NHQUHFAHQCMUAU-QPPBQGQZSA-N 496.567 5.379 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C/C(=O)c1ccc(OCc2nccn2C)cc1 917517414 FGNYFDYPGQMDNQ-OUKQBFOZSA-N 491.389 5.460 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(Oc3ccccc3)cc2)cs1 917564123 XBZLUUKUMIKZFX-WJDWOHSUSA-N 474.969 7.170 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c1 917677869 ZGAKFGKDUURYQT-AWRGLXIESA-N 494.636 5.030 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cccc(C)n2)C1=O 917680186 GMVWXBZOFATQTE-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 917707757 AIKJEBKFZQIYEH-NLFFAJNJSA-N 486.641 5.604 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1=S 919951397 HYUMPJLBRIRXPH-UHFFFAOYSA-N 482.053 5.035 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920021599 MHALTRHMFZDWFJ-HNNXBMFYSA-N 455.967 5.171 30 20 JKED Cc1ccc(Oc2ccc(OCC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)cc1 920142471 VNLIRFIPOWDDFM-DEOSSOPVSA-N 465.534 6.038 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)cc1 920143428 ZRMSRJGMXDKADR-IRLDBZIGSA-N 462.534 5.064 30 20 JKED COc1ccc(C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CCOCC2)cc1 920221644 NJBHGSHGRBNKTC-XMMPIXPASA-N 460.961 5.691 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(Cl)s3)n2)c1 920676525 YFEXNCQDEIYMFH-UHFFFAOYSA-N 459.980 5.246 30 20 JKED N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc(-c2c(F)cccc2F)cs1 920804783 ZGFUFXLMNQSPJC-OJZLUHRPSA-N 477.374 5.998 30 20 JKED C=C(Cn1c(C2CCCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1722541635 OBXVEXXDMVWGIG-HXUWFJFHSA-N 451.615 5.000 30 20 JKED C[C@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786041718 YSMNZPQDSNKKSR-HXUWFJFHSA-N 455.558 5.097 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(Cl)c3)CCC2)cc1 1786368096 BJIAVUBJADOAJI-UHFFFAOYSA-N 456.970 5.079 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1786370764 BCFLFNOGZHRGMY-IBGZPJMESA-N 483.568 5.767 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)CCc3nnc(C)s3)cc2)CCC1)c1ccccc1 1786883410 YFYRTTACJMOPGE-XMMPIXPASA-N 486.641 5.110 30 20 JKED CCn1nc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c2ccccc21 1788368734 XKKZODAAACTWDG-UHFFFAOYSA-N 481.531 5.128 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4ccccc4)n3)cc2)CCC1 1788713404 MBGHUVSZWFPLIK-HXUWFJFHSA-N 470.573 5.297 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5ncccc45)cc3)CCC2)c1 1788953350 PMUPYUNALDNOPR-GOSISDBHSA-N 463.541 5.251 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCC(=O)Nc3ccccc3)CCC2)cc1 1789449837 XECAJNSWFTYUQI-RUZDIDTESA-N 473.617 5.698 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)no4)cc3)CCC2)cc1 1789782040 JCIKXPDKNPCYHG-UHFFFAOYSA-N 462.509 5.275 30 20 JKED CCn1nc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)cc1C 1789857146 IBEDYWMRUIKLDY-UHFFFAOYSA-N 464.686 5.010 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)c1 1790772519 NVLOTROTMSVVDG-UHFFFAOYSA-N 492.551 5.224 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)nc4ccc(F)cn34)CCC2)cc1 1791253834 IMSDCRPYGBEWFO-HNNXBMFYSA-N 488.485 5.452 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791253879 JSRLQFQNOLDKML-BCHFMIIMSA-N 487.616 5.072 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)CCC2)cc1 1791586324 ZIHVUEWSJNGKNI-UHFFFAOYSA-N 460.965 5.281 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCCn3ccnc3C)cc2)CCC1)c1ccc(O)cc1 1791830915 SWXQWWUFGMNZCC-DEOSSOPVSA-N 498.627 5.009 30 20 JKED CC(C)C[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1792229098 XZIVEQKESXHCEJ-QFIPXVFZSA-N 496.652 5.144 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(C#N)cc1)C2 1799879552 VIOFEQXGZIIFTC-LGKQTMLJSA-N 495.623 5.140 30 20 JKED CCCCCc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(C)C)c(C#N)c2)C3)s1 1801302134 DYHHIYJHGKSDCB-KOUNCHBCSA-N 494.661 5.100 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)N(CC(C)C)CC(C)C 1801400512 PEOWNAKKINNKHZ-ZFFYZDHPSA-N 489.651 5.191 30 20 JKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)c(F)c1CSc1ccccc1)C2 1802318433 IKNYYXWWSAWROE-BCDXTJNWSA-N 456.558 5.085 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)[C@@H]1c1cccnc1 1803081399 JOHDXWHGCMVVLX-AHKZPQOWSA-N 471.645 5.368 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@@H](C)c4cccc(NC(=O)OC(C)(C)C)c4)CC3)C2)C1 1804779475 NMNWBZNYBMJZDD-NRFANRHFSA-N 495.664 5.335 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1 1805678402 FDSFXBZZVVYDKJ-UFHPHHKVSA-N 498.627 5.105 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1806539784 YXWDYRCDGOIPLB-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CCC)n2cccc2)[C@@H]1c1cccnc1)c1ccccc1 1810443194 DSZUKLZUOLIUMM-QUAHOIDUSA-N 496.655 5.128 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810498434 MCXKZXPGCXPIBN-NTKDMRAZSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1810500388 OVSDHMNBVLUPAG-CJFMBICVSA-N 493.051 5.837 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1811354861 QBTHXQZNUUXJPU-ALMBTRMVSA-N 494.639 5.297 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811440708 ACECTDADVGWZDW-ABYGYWHVSA-N 483.587 5.401 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1812588053 ZEHRFSKGHUDOTM-TVVUZDRGSA-N 464.997 5.057 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@H]1c1cccnc1 1813052180 CMKAEMKLHFEAEV-ZHRRBRCNSA-N 495.904 5.016 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H]1c1cccnc1 1814106345 BGUUKRPVUZYRHP-NGQVCNFZSA-N 488.591 5.030 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(Cl)c3Br)[nH]n2)C1 1814398628 NYWNCAFWUSUKJE-QGZVFWFLSA-N 477.790 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)n[nH]2)c1 1814723285 PGOJWOJNCBSECJ-SGURQHNMSA-N 485.563 5.285 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(C(F)(F)F)CC2)n[nH]1 1815523911 BGEPEUQYKJHHKO-SMRJSYMMSA-N 466.548 5.539 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(Br)cc2C)n[nH]1 1816618429 CMBVZMVOPDSTEU-SFHVURJKSA-N 488.430 5.174 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCOc2ccccc2)n[nH]1)c1ccccc1 1816790372 UBMXIAYMCDQFJW-AHWVRZQESA-N 484.600 5.068 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)c1 1817745599 SQONSKQHIMAYND-RUZDIDTESA-N 490.567 5.272 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)n[nH]2)c1 1818593593 ZNXXRRUCLFYRLD-QFIPXVFZSA-N 472.936 5.036 30 20 JKED C[C@@H](Sc1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1819257981 OMGRDXFGAZYCBK-UZLBHIALSA-N 479.631 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1819309034 KQZAZRUYNPQHHE-IERDGZPVSA-N 465.985 5.619 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237539 NDFKIAYMHYVPMX-KOSHJBKYSA-N 476.552 5.113 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c1 1821120670 AANPKKABFWAKHF-HXUWFJFHSA-N 465.916 5.002 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)cc12 1821277814 KAJBMNBUKJZFAI-HSZRJFAPSA-N 486.963 5.344 30 20 JKED CC(C)CN(CC(C)C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC#N)[nH]n1)c1ccccc1 1821757457 PTRHMRBLCMSHOA-RPLLCQBOSA-N 492.668 5.061 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3cccc(Br)c23)[nH]n1 1821918815 PLLVVGSRMCVACS-FOIQADDNSA-N 498.425 5.101 30 20 JKED COc1cccc(/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1822131450 HCJIJUYBTWNVRH-WULXXNAGSA-N 483.572 5.065 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)oc2ccccc12 1823215584 XARSFZLKGLRYTE-UZUQRXQVSA-N 481.556 5.711 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)n3C)[nH]n2)c1 1823215668 ZTEHPFDJAYNSJA-KXBFYZLASA-N 498.509 5.014 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)ccc(Cl)c3F)n[nH]2)c1 1823272817 HJGMEORRFCDXMH-FQEVSTJZSA-N 497.933 5.152 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1)NC(=O)OC(C)(C)C 1823348325 XXFJYUANLXPDRQ-NUANOYTQSA-N 499.656 5.008 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cc(Br)cnc34)CC2)C1 1823701429 KJRQBIMIEXYSNT-HSZRJFAPSA-N 496.449 5.197 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1823718864 VOLOZLLRMIIQNN-MMYRTMNYSA-N 465.594 5.096 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1823887517 HUJRKVCEXUSYLG-JOCHJYFZSA-N 493.570 5.191 30 20 JKED C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1824054609 MBBPWERBQLYIBS-FIPFOOKPSA-N 471.645 5.304 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)CC2)c(Cl)c1 1824861047 QYWHANHPXIYFCZ-DNQXCXABSA-N 467.972 5.156 30 20 JKED CC(C)c1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)co1 1825418865 HVBZBRZIQCXEDW-HSZRJFAPSA-N 471.718 5.082 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826478156 AKXVJEDKUVIVDB-XMSQKQJNSA-N 450.545 5.080 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc3c2CCCO3)CC1 1827384365 BOYOVJLOPZEQII-OFNKIYASSA-N 456.652 5.075 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1827760587 OJGDJOLTZVLIAF-LJAQVGFWSA-N 492.623 5.096 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827876672 PQMZFRLKAIHZMH-AREMUKBSSA-N 457.618 5.176 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828828032 BRVSFUPWFBQVRW-ZFGGDYGUSA-N 454.577 5.292 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1829589895 WTITWLAIMREZEJ-HHHXNRCGSA-N 482.628 5.267 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c[nH]1 1829687788 HBXVEAXJEXEHBE-JOCHJYFZSA-N 481.040 5.384 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 1830628536 KOLCXFIYQNELBC-DXXRHUJXSA-N 475.677 5.592 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1831201940 DRDRBJDVGIFYCW-XRQNQOHASA-N 485.628 5.098 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1831376033 ILTBGDVJQZREIE-IIBYNOLFSA-N 454.508 5.290 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC(C)(C)C)CC2)cc1C#N 1832701343 DQYNWDWUPQZHRQ-QHCPKHFHSA-N 453.627 5.015 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705233 PAUXIWVFFIFEER-UXHICEINSA-N 474.564 5.032 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1832708705 AKPAOKZHVGPBFC-SFHVURJKSA-N 494.451 5.420 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832715050 NHPNCYDNMFGSMC-LJQANCHMSA-N 477.354 5.577 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)CC1 1835815036 KZFJWBSAQLQFQU-UHFFFAOYSA-N 490.692 5.168 30 20 JKED Cc1c(Cl)cccc1-n1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nnc1-c1ccncc1 10318121 IWFUDDSNWZMOKD-MRXNPFEDSA-N 474.977 5.282 30 20 JKED N#Cc1cccc([C@@H]2NC(=S)NC(c3ccc(Br)cc3)=C2c2nc3ccccc3[nH]2)c1 10355849 QEJJZNRWUCQKCO-QFIPXVFZSA-N 486.398 5.284 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cccc(Cl)c2C)cc1 11256514 NJYGMYKUVOZNBX-UHFFFAOYSA-O 478.852 6.856 30 20 JKED Cc1cccc(OCc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)o2)c1 11328470 OJLIISAZTLSBKW-UHFFFAOYSA-N 465.579 5.093 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 21144219 VJUHDZZTFYNXMS-DEOSSOPVSA-N 484.581 5.374 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1OCc1ccccc1Cl 22142322 DKCHIFBVPUXTKT-UHFFFAOYSA-N 466.946 5.330 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 22181219 HXRUERZZKJRXCC-UHFFFAOYSA-N 497.549 5.527 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)CCC#N)n2-c2ccccc2C(C)C)cc1 22531702 CRDRBMGCQPXRKY-UHFFFAOYSA-N 472.618 5.114 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 22716600 IJEVEFZRSAUZEV-LSDHHAIUSA-N 489.414 5.391 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22729400 XAVNLCIJUWNVLN-UHFFFAOYSA-O 495.668 6.631 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22731245 ZOUXWYWLJOCQDW-UHFFFAOYSA-O 461.607 5.311 30 20 JKED CC(=O)Nc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)ccc1F 26050774 WHHNXPKPWCUZRZ-UHFFFAOYSA-N 474.336 5.260 30 20 JKED N#Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 26131772 XMQWJKQCWJTNPL-IBGZPJMESA-N 457.477 5.526 30 20 JKED N#C[C@@H](C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 27444842 RFERTRSIKWHWQH-IBGZPJMESA-N 457.584 5.237 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 28777972 XXXLLOQTOAYAQB-UHFFFAOYSA-O 488.460 6.638 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)n1 32290581 JNIRVAKDFHVXBW-UHFFFAOYSA-N 456.527 5.373 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)cc2)C[C@@H](C)O1 58761008 LFBLBGUCNIQHQH-OYRHEFFESA-N 471.626 5.249 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2csc(CC(=O)Nc3ccccc3C)n2)n1 104822133 OIPAXVLUFMCMKK-UHFFFAOYSA-N 462.522 5.519 30 20 JKED CCN(CC)c1nc2sc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc2s1 108886156 WDQHHOXXGKAZNC-UHFFFAOYSA-N 452.527 5.280 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 248251122 PJMUITNRASUXHO-UHFFFAOYSA-N 475.470 5.348 30 20 JKED C=CCn1c(SCc2nc(-c3cccs3)oc2C)nnc1[C@H]1COc2ccccc2O1 251997480 LFPNYWVSALDXRI-GOSISDBHSA-N 452.561 5.294 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)nc2sccc2c1=O 255930683 NAPJFGXGRCEDJB-LLVKDONJSA-N 484.653 5.936 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)s2)cc1 302943326 LTAJCTSZGVEHTH-LJQANCHMSA-N 450.593 5.246 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481104493 NMLFQMJQLFWFSO-QGZVFWFLSA-N 471.488 5.181 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 486274500 YNKCQRZECZUMAM-QMHWCDLVSA-N 478.618 5.115 30 20 JKED CC(C)(NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 491454680 BHRIORQALOFGHZ-UHFFFAOYSA-N 473.360 5.381 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 498106546 PYXFHZXOCHNNDO-FQEVSTJZSA-N 498.612 5.074 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1 498319428 MIVMKPFQMUYFGN-RUZDIDTESA-N 478.639 5.224 30 20 JKED CCn1c(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nnc1-c1ccccc1C 501469074 DWZHCIATKZLRSR-UHFFFAOYSA-N 497.624 5.649 30 20 JKED Cc1ccc(Sc2ncccc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 501749508 TUZNWEQYEJULEF-UHFFFAOYSA-N 470.598 5.212 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3cccc(COCC(F)(F)C(F)F)c3)c2C(F)(F)F)cc1 502123974 JTTRYFOEGOCZNJ-UHFFFAOYSA-N 489.391 5.869 30 20 JKED N#C[C@@H](C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nc(-c2c(F)cccc2F)cs1 503531332 XGNZIQSQZMCJEY-LBPRGKRZSA-N 467.478 5.431 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C2CC2)cc1 506305271 LYPMSWGYEVVREA-RUZDIDTESA-N 472.589 5.489 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 508357264 JBBHSWQRVFNGHS-UHFFFAOYSA-N 490.614 5.454 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 510242412 NQJYVMILMZRRAZ-UHFFFAOYSA-N 491.523 5.214 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)C(C)C 511116043 PKXRXFTXLFGESP-OAQYLSRUSA-N 496.508 5.555 30 20 JKED C=CCn1c(SCCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccc(F)cc1 514486904 PSRLMHRYBXCLCF-QHCPKHFHSA-N 478.618 5.720 30 20 JKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1nc2ccccc2n1C(F)F 515539213 PGVJMUCOOFXOBZ-OAHLLOKOSA-N 478.459 5.370 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 515540544 ZZSNLDULOZQHJM-IBGZPJMESA-N 490.535 5.961 30 20 JKED N#C[C@H](C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)c1nnc2n1CCCCC2 515596976 YBQSPSCOQVNJGK-GOSISDBHSA-N 471.413 6.094 30 20 JKED C=CCc1cc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)cc(OC)c1OC 515620297 MIKLYBDVYYDEIK-ROUUACIJSA-N 450.579 5.111 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 517473277 MOTHREINDOCCTN-IBGZPJMESA-N 494.642 5.403 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 517473508 PFVORJRQEAYWMS-NRFANRHFSA-N 481.625 6.172 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 517800847 LOFKBJVYMFTIDZ-HXUWFJFHSA-N 464.481 5.188 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 518755871 PSSXQTXYSYFSCB-HNAYVOBHSA-N 460.397 5.449 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4ccc(F)cc4)CC3)cc2)c1 518756078 XLOCEDKRBSIAIJ-UHFFFAOYSA-N 458.493 5.372 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1C 518893731 XMSMJSKTYBJFBO-UHFFFAOYSA-N 492.605 5.616 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(C(=O)c4ccccc4F)CC3)cc2Cl)cc1 519972460 VNVNVAVWSQQXPI-UHFFFAOYSA-N 492.938 5.523 30 20 JKED COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@@H](C)C#N)cc(OC)c1OC 520094418 QAWZWQMQAQPXFH-ACRNLXFHSA-N 485.584 5.369 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl 520198051 YRGQFRAJUHAMEK-HZPDHXFCSA-N 459.974 5.046 30 20 JKED C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(F)cc1 520580184 HSYGWBXWOQUIKO-HNNXBMFYSA-N 451.885 5.001 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1Cl 520589074 LTOYUMHKEAMRFU-AHWVRZQESA-N 487.003 5.351 30 20 JKED COCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1cccc(C(F)(F)F)c1 520940087 CZSCSBPRYCCIFJ-IAGOWNOFSA-N 465.541 6.341 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 520940123 FNBMXZRNVNTCHY-WMZOPIPTSA-N 482.009 6.196 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccccc2CN2CCCCC2)cc1OC 520954955 VSHLTDCGLPBFEP-UHFFFAOYSA-N 459.428 5.298 30 20 JKED O=C(NCc1cccc(OCC(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 522549237 GUNYBXXIAFQBAD-UHFFFAOYSA-N 493.354 5.484 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1OC 523843738 HLRLWOLBJXVUCS-NRFANRHFSA-N 467.635 5.002 30 20 JKED O=C(COc1ccccc1OCC(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589857317 RCRNTMXNOOTTLC-GDNZZTSVSA-N 467.328 5.032 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 591037200 MLAPIGLENMVQBB-UBHSHLNASA-N 497.480 6.527 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 591611634 WILLBMPDUSRMQD-QFIPXVFZSA-N 451.567 5.733 30 20 JKED C=CCN(C(=O)c1ccc(SCc2csc(C)n2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 595984141 OUNDAZVBANQTHH-KRWDZBQOSA-N 476.631 5.109 30 20 JKED CCOc1ccccc1N1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 603465515 CEHPDCCTEWNNSX-UHFFFAOYSA-N 457.599 5.212 30 20 JKED COc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)ccc1OCc1ccc(Br)s1 603638189 WUFLGJIIBCULBA-UHFFFAOYSA-N 471.376 5.242 30 20 JKED N#Cc1ccnc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)c1 603726978 UJHIDPHIFINBSH-UHFFFAOYSA-N 460.559 5.541 30 20 JKED C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1=O 603759062 SQALQVNZADGKLB-UTSGNWPNSA-N 457.961 5.544 30 20 JKED CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1OCC(=O)N1CCCC1 603828974 HRUANLWGQUSMKF-DEOSSOPVSA-N 499.571 5.020 30 20 JKED N#C[C@@H](C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838950 VJWFMEDBFWQHCA-LBPRGKRZSA-N 462.270 5.244 30 20 JKED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccccc1-c1ccccc1C#N 603976566 GPBMOTXUKADEIE-WOJBJXKFSA-N 451.570 5.904 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603991607 CYMWCFPVUMFQFF-UHFFFAOYSA-N 455.587 5.164 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c2cccs2)cc1 604138711 FQHAOIOOUVVKOT-XMMPIXPASA-N 461.587 5.398 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CCOCC2)cc1 604362110 IYSDYMMJRIXRKV-UHFFFAOYSA-N 472.545 5.014 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c12 604448140 QYZLXPQFNDQSEA-UHFFFAOYSA-N 487.523 5.313 30 20 JKED Cc1cccc(-c2cccc(CNC(=O)C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)c1 608865787 UBPHXXAAIFHWMF-UHFFFAOYSA-N 476.536 5.284 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2C(F)(F)F)cc1 609060892 GWWMJQMHKNHKIE-UHFFFAOYSA-N 490.485 6.211 30 20 JKED Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609088547 FRXHBUPAJKDNCW-UHFFFAOYSA-N 475.976 5.132 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3I)c2)cc1 609176851 ZNJCIMSPLJHVOM-UHFFFAOYSA-N 485.237 5.116 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 609436396 KCPFUYRUPZDDLK-QGZVFWFLSA-N 476.568 5.886 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 609437837 SWQCQUULUOFKKI-HXOBKFHXSA-N 463.990 5.579 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCSc3c(F)cccc32)c1 611995306 LUESGPLXQGTKJS-NRFANRHFSA-N 477.586 5.395 30 20 JKED CC(C)OCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)oc2ccccc12 613404702 PPVVEIXZZNBTIT-HNNXBMFYSA-N 458.461 6.476 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 615001839 NIHXLEWDIQPIRJ-UHFFFAOYSA-N 495.373 5.205 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(OC)ccc2Cl)c1 620334382 DKLPSUHCOLBNAW-UHFFFAOYSA-N 491.396 5.636 30 20 JKED O=C(CCCC(=O)NCc1ccc(F)cc1C(F)(F)F)NCc1ccc(F)cc1C(F)(F)F 643187796 NITWPDDKRMPJNU-UHFFFAOYSA-N 482.371 5.105 30 20 JKED C=CCn1c(SCC(=O)NCC2(c3ccccc3)CCC2)nnc1-c1ccc(Cl)cc1 660861303 CLXKVCLHBDHQPB-UHFFFAOYSA-N 453.011 5.115 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCC 663510679 HCULLMVJTBEMAR-HNNXBMFYSA-N 462.040 5.217 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCC2=CCCCC2)cn1 726117512 BZLFSVILTAXZEN-NRFANRHFSA-N 487.576 5.032 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726392852 KTOIVGCSSGYBHF-CTNGQTDRSA-N 488.535 5.042 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C#N)c(Cl)c1 726407198 PHQCAGCMCVSOPC-KRWDZBQOSA-N 480.899 5.211 30 20 JKED N#Cc1ccc(NC(=S)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1Cl 726452281 SGUIPXUYZHQOML-UHFFFAOYSA-N 486.424 5.635 30 20 JKED Cc1c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)sc2ccccc12 726571579 YCKZJCBTGBHAQS-UHFFFAOYSA-O 463.007 6.346 30 20 JKED CCOC(=O)C1C/C(=C\c2cn3cc(Cl)ccc3n2)C(=O)/C(=C/c2cn3cc(Cl)ccc3n2)C1 727975263 RPWLGPHMFPJNFW-KAVGSWPWSA-N 495.366 5.298 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccccc2C(F)(F)F)c1=S 728050219 PNOLCXJMWNOCSA-FQEVSTJZSA-N 474.552 6.089 30 20 JKED CC(=O)N(c1nc(COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cs1)c1ccccc1F 728108930 IOFBKRBRGPUCPD-UHFFFAOYSA-N 491.500 5.367 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2Cl)c1 728122034 UTCNEWNIKHSJMQ-QHCPKHFHSA-N 491.975 5.709 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cs1 728157015 QYFLXEFPUZCXLE-UNOMPAQXSA-N 477.929 5.224 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(SC(C)C)cc2)cs1 728442056 UYFBDWXEJVISOF-JYRVWZFOSA-N 457.020 6.878 30 20 JKED COc1ccc([C@H](NC(=S)Nc2ccccc2C#N)c2ccccc2)cc1Br 728451201 ACHUMUYVJJZXHS-OAQYLSRUSA-N 452.377 5.405 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)cc1 728778563 DECNYQSEPSXMKN-DEOSSOPVSA-N 486.597 5.503 30 20 JKED C=CCc1cc(CNCc2cccc(NC(=O)c3ccccc3Cl)c2)cc(OC)c1OC 729683202 FUQKYVSWFCKWKU-UHFFFAOYSA-N 450.966 5.628 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)c1 730443243 BXGANVRWMLDDNM-QHCPKHFHSA-N 476.602 5.057 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 730444196 JSPWBHKQTMFGBZ-VWLOTQADSA-N 498.608 5.648 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(C3CCC3)C2=O)cc1Cl 730458931 CRVDINNHUOCEOS-IBGZPJMESA-N 461.946 5.001 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730461371 NHRCUIHUWVRRLZ-QFIPXVFZSA-N 497.542 6.371 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCC2)c1 730463279 WDNOSRWIEJVKAZ-QFIPXVFZSA-N 485.581 5.136 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccsc2)C1=O)Nc1cnccn1 730716873 YGNFBLUBVJOWPP-INIZCTEOSA-N 492.413 5.005 30 20 JKED Cc1ccc2c(c1)[C@H](N1C(=O)[C@H](CC(=O)Nc3cnccn3)SC1=Nc1cccc(Cl)c1)CC2 730720688 TYCIAZSGVNEHRL-RTWAWAEBSA-N 492.004 5.086 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730945847 ZPIOFLSXAPEPSZ-CPJSRVTESA-N 486.641 5.982 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 730993492 AGSCOELYTDLABM-FQEVSTJZSA-N 495.714 6.512 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 731059720 KUHFKYXUZOXMSI-HNNXBMFYSA-N 493.635 6.072 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 731288782 WEOCTWUAGJXUAU-VQIMIIECSA-N 484.408 5.846 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(SC(F)F)cc1 731303843 CBTUZAZSVUTCEB-GOSISDBHSA-N 479.574 5.467 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731305243 ANBAVEWQIVTMGC-IBGZPJMESA-N 486.018 5.576 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccsc1)c1cccs1 731313360 YNRLOXDQOJCLOP-ZXRLFJNXSA-N 471.629 5.105 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3sc(N4CCCC4)nc3Cl)cc2Cl)cc1 746880390 YPESMOOXMGZGKL-UHFFFAOYSA-N 459.358 5.966 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCCOC3CCCC3)C2=O)c1 747043479 KFVYOKXKKMKEBG-QHCPKHFHSA-N 481.618 5.005 30 20 JKED O=C(Nc1cccnc1)/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)c1ccccc1 747127554 FBNMVDYMJQBEJW-ULJHMMPZSA-N 481.939 5.892 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cscn3)C2=O)cc1 747600241 OISUUWYIMQSJCF-OAQYLSRUSA-N 464.616 5.229 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cnc(-c3ccccc3Cl)s2)cc1 747951888 FURICEZWXXILRD-INIZCTEOSA-N 453.951 5.264 30 20 JKED C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OC 769674428 VKQVFGLXLFQJQG-WOLRVDTOSA-N 484.763 5.804 30 20 JKED Cn1c(SCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)nnc1-c1cccs1 792728781 NZCRIQJAWQTUCH-HHUAMSDTSA-N 495.699 5.436 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCc2cccs2)C1=O 837299766 MJPJMAAEZJXNML-QFIPXVFZSA-N 479.627 5.268 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccccc3Cl)s2)c1 874097465 IEYBKGUUPHTFAQ-UHFFFAOYSA-N 456.980 5.419 30 20 JKED CC(C)(C)OC(=O)NC1(c2noc(C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)n2)CCC1 904556471 XCSDXIROZRVELY-UHFFFAOYSA-N 471.989 5.057 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(OC)c2)cc1 914772548 DAKHTZQGUGMLJN-XMMPIXPASA-N 489.597 5.002 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(-c2ccccc2)cc1OC 915270256 CTXODTWGUOHOOE-UHFFFAOYSA-N 464.978 5.790 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccco3)C2=O)c(OC)c1 916206982 BNFMMBWYJWUBIX-QHCPKHFHSA-N 493.585 5.074 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCOC)cc1 916214852 PUUSEZDFGLEPBY-DEOSSOPVSA-N 491.613 5.235 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1 916215085 SPRDQOYLPJTJTP-KRWDZBQOSA-N 469.916 5.729 30 20 JKED Cc1ccc(Cn2nc(C)c(C=Nn3cnnc3SCc3ccc(Cl)cc3)c2Cl)cc1 916546456 RQFUDCWWDKNRBI-UHFFFAOYSA-N 471.417 5.621 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 916904036 VJZPFMSBBLPWNV-SFHVURJKSA-N 494.598 5.597 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916910306 WSQDIKYJJOXICB-OAQYLSRUSA-N 486.959 5.872 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Cl)cc1 916997880 ZQGXJLYYHHQIBW-HKUYNNGSSA-N 492.815 6.214 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cccc(C)n3)C2=O)cc1 917668802 HAWWAALSIZRTEZ-DEOSSOPVSA-N 486.597 5.062 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2ccccn2)C1=O)NCc1ccccc1 917700531 JBCKAXRRPUGISG-SANMLTNESA-N 494.620 5.116 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CCCC1 917707173 PDXOUOQTOXVBRA-HXUWFJFHSA-N 452.967 5.115 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 918487494 UXPUTTFCHASYAZ-KXBFYZLASA-N 472.010 5.115 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(COc4ccc(F)cc4)n3)n2)cc1 920140718 JIDKJRHYFLNQKH-GOSISDBHSA-N 460.515 5.346 30 20 JKED CC(C)=CCOc1ccc(CCC(C)=NNC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 920359503 AYLPMSRHRIVTTI-UHFFFAOYSA-N 491.661 5.125 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 920871292 WLJQHIIGCLDHTP-HNAYVOBHSA-N 494.444 5.545 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)cc2)cc1 921009959 BSBYMBAYBFYKFJ-UHFFFAOYSA-N 481.961 5.041 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 928966356 ARRKSLSYBCOXHQ-IFMALSPDSA-N 490.629 5.165 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4cncc(C(F)(F)F)c4)CCC3)cc2)C1 1785810192 GRDPPBCGVPCMGA-UHFFFAOYSA-N 457.496 5.133 30 20 JKED Cc1noc(C)c1CCC(=O)NC1(c2ccc(NC(=O)C#Cc3ccc(Cl)cc3)cc2)CCC1 1786040995 KULRLTCKQTVVAB-UHFFFAOYSA-N 475.976 5.063 30 20 JKED CC(=O)c1ccc(OCCCC(=O)NC2(c3ccc(NC(=O)[C@H](S)C(C)C)cc3)CCC2)cc1 1786389966 YOIOXKPQVAQHSC-RUZDIDTESA-N 482.646 5.137 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)nc3Cl)CCC2)cc1 1786394217 XFTYLPMZZHJYBI-QGZVFWFLSA-N 452.407 5.091 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCCC4(F)F)cc3)CCC2)c1 1786465720 UFQMSOURJDVBBC-HXUWFJFHSA-N 455.480 5.271 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)s1 1787057781 UIYAEEIGEWHTLD-UHFFFAOYSA-N 459.571 5.009 30 20 JKED C[C@H]1CN(Cc2ccccc2)C[C@@]12CCC[C@H]2C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787885639 XMFBWYRJPYGGEL-VZPHFUHGSA-N 498.671 5.363 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789147704 GJCPKADPOAVTKB-NEKDWFFYSA-N 495.664 5.536 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4s3)CCC2)cc1 1789514073 DAMVIPQESMYXCH-OGLMXYFKSA-N 478.593 5.260 30 20 JKED CCOc1ncc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1789840450 QWUDTBFAAVRXDA-UHFFFAOYSA-N 492.938 5.206 30 20 JKED COc1ccc([C@H](C)C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(OC)c4)cc3)CCC2)cc1 1790073006 PGNPULRNWQUEEZ-IBGZPJMESA-N 483.568 5.127 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccc(F)c5s4)CCC3)cc2)c1 1790144814 JBVGLHZGPYFFGF-UHFFFAOYSA-N 458.518 5.302 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3F)cc2)CCC1 1790586157 LGDATVJYYDVKAE-OKCVXOCRSA-N 489.547 5.074 30 20 JKED COc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)cc(C#N)c4)CCC3)cc2)c1OC 1790717399 VCAYVHAJWDRSCO-UHFFFAOYSA-N 487.531 5.085 30 20 JKED COc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1792106706 MWXNDKZAWXTCQE-SFHVURJKSA-N 471.532 5.523 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3C(F)(F)F)[nH]n1)C2 1793051200 RRPGFTDSHZNNAM-REPLKXPHSA-N 486.538 5.116 30 20 JKED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1793608919 ZKCLOLCKNZJEGN-LNEBKTTKSA-N 473.642 5.108 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 1800397837 FIXYOGVGGRNJBR-REPLKXPHSA-N 488.403 5.429 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(OC(F)(F)F)cc2)c1 1801579508 DYPINPRQOICKBR-OCYFJXFZSA-N 499.533 5.097 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1802492947 SLFSXDCYWPRLSJ-HYBUGGRVSA-N 479.024 5.528 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)CCCc3ccccc3F)[C@H]2c2cccnc2)c1 1803120700 GLXQSAJECCKXKU-KFACBJOOSA-N 498.602 5.190 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC1 1804200105 JPCBMVDPBZAUNP-KIHHCIJBSA-N 491.717 5.459 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809210968 AJAGMBLJGFKCMR-CYFREDJKSA-N 480.033 5.463 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1809281966 QZUPUWRZAQRTNL-KCWPFWIISA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@H]1c1cccnc1 1809625090 KLKVSWPBEABCBX-LMNIYAORSA-N 463.666 5.462 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810173136 FSGSYAYBHPQEIJ-MZKRTTBSSA-N 489.513 5.328 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1810176127 ZVITVWZCVQBJHH-BXTSTYNKSA-N 480.612 5.232 30 20 JKED Cc1ccc(S/C=C/C(=O)NC[C@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)[C@@H]2c2cccnc2)cc1 1810243333 FCUXROZXRHYLOW-PWRJCARYSA-N 496.636 5.196 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2F)[C@H]1c1cccnc1 1810492245 LDJAPJYXDDUSIL-ALFJMTECSA-N 467.560 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)nc2Cl)[C@H]1c1cccnc1 1810679420 ZOCQXOJSDJCXKB-FXAWDEMLSA-N 475.420 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(CC(C)C)cc2)[C@@H]1c1cccnc1 1811629190 WDCCMBNCRJRDAL-VJGNERBWSA-N 459.634 5.368 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)CC1 1811730367 TYCZKTCFWSKOMS-GJZUVCINSA-N 476.596 5.018 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)c1 1811938144 ZZIHOUNOZGOBFB-YADARESESA-N 486.622 5.171 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(Cl)cc3F)[C@@H]2c2cccnc2)c1 1813973861 YTTBFMBJQDMCBP-JPYJTQIMSA-N 497.357 5.033 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)[nH]n1 1815216650 KQFFLFVRTZZLQH-YADARESESA-N 490.604 5.004 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)[nH]n2)cc1 1817741877 XODJICUPAJJIJF-XUZZJYLKSA-N 477.634 5.040 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccccc4o3)n[nH]2)c1 1818633132 UZSBCKCWASZBSD-JTSKRJEESA-N 467.529 5.403 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)oc3cc(O)ccc23)n[nH]1 1818659287 CAEWCYPAFLQADJ-NQIIRXRSSA-N 462.550 5.244 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)[nH]n1 1819311097 LGJZOUWVNCGHLN-UTKZUKDTSA-N 456.974 5.146 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1819364222 SASPEZGUKWXBQD-XLIONFOSSA-N 487.025 5.157 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820095950 PJMMDLQMHMXVPY-NRFANRHFSA-N 471.586 5.282 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)[nH]n2)c1Cl 1820218934 HROPLRPAEKVJCF-MRXNPFEDSA-N 491.857 5.166 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3Cl)n[nH]2)c1Cl 1820426905 MZHCFHZDEAXQHU-IBGZPJMESA-N 468.344 5.208 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cccc1C(F)(F)F 1820553806 NWBZTEGRBQAVAP-NRFANRHFSA-N 481.478 5.228 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823315 IFTXPUUKHHLBBM-UWJYYQICSA-N 493.011 5.206 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)cc1 1821180170 YNDVJXMJLSDXCW-NRFANRHFSA-N 481.478 5.114 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)c(F)c(OC)c2F)n[nH]1 1821267305 VEGYCUHCSHBHSD-KRWDZBQOSA-N 490.551 5.003 30 20 JKED C[C@@H](Cc1ccco1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821311561 ZFSTUBYAUYEPNC-BTYIYWSLSA-N 499.493 5.078 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1)c1ccc(F)cc1 1822288437 NYQLHUDKSATAEK-NOZRDPDXSA-N 473.552 5.166 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1)c1ccc(O)cc1 1822466645 KYOUILJMBIQYBA-QNXIHNPRSA-N 496.558 5.050 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2)[nH]n1)c1ccc(O)cc1 1822469844 RFLZILQNAINZMX-CJFMBICVSA-N 496.567 5.365 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2OC(F)F)n[nH]1 1823262221 YZSOALCYPYCMRD-IBGZPJMESA-N 458.509 5.085 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823290787 DTGLXOZBXVKABX-HXUWFJFHSA-N 477.590 5.058 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823309718 FEZHBSZRMJMQBT-DLBZAZTESA-N 499.826 5.249 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1823888369 YVZUBXFWESASTB-JOCHJYFZSA-N 496.449 5.385 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1824141222 LDPYUBFCKJFXOX-HXUWFJFHSA-N 452.517 5.300 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824234939 DIGLGQWCCYEBCS-VPUSJEBWSA-N 454.655 5.029 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1824861981 PYJVGXSMYVUBPC-WBJKNQCFSA-N 490.619 5.220 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3cccc4ccccc34)CC2)cc1 1824952499 CFMCDTFHRWDVAG-HHHXNRCGSA-N 481.596 5.024 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824955728 SNCAGWIKAMMBLY-HHHXNRCGSA-N 474.645 5.607 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1825189781 KLYWPNYBATXOMK-QFIPXVFZSA-N 477.571 5.031 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1825202512 RPXANNUUTSKPER-SANMLTNESA-N 477.674 5.113 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)CC1 1826638915 BAWDQHJYVHDTKF-VWLOTQADSA-N 484.681 5.249 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c(Cl)c1 1827413235 HFTVEQFTCLINAT-OAQYLSRUSA-N 482.005 5.566 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)[nH]c2c(Cl)cccc12 1827519762 LIJUNTUUPJPYMM-XMMPIXPASA-N 489.019 5.549 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(Br)nc2C)CC1 1828829228 ZIPNSTFDYPHGOV-MOPGFXCFSA-N 494.499 5.216 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1 1828906832 KFLDWYPFMGOAPO-BDYUSTAISA-N 494.752 5.051 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1828906928 QDSKEBMMVQVRKC-VWLOTQADSA-N 478.709 5.717 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc2c[nH]nc12 1828907157 WBWIWGLNADXRSF-RUZDIDTESA-N 492.740 5.156 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829936347 IJCGAEXYDBOXMU-RUZDIDTESA-N 497.561 5.443 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1830415802 CZHPRKYWIFMVTF-GJZUVCINSA-N 491.632 5.513 30 20 JKED C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830633049 BYEXMEPRLZRXHJ-AJTFRIOCSA-N 457.618 5.180 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830708048 KITGGELQPLXFHJ-NLFFAJNJSA-N 482.715 5.531 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4sc(C)nc4c3)CC2)c1 1830769179 IULBUOZYEDYMCT-VWLOTQADSA-N 486.641 5.332 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1830994600 FANVDONUYBZRLM-VWLOTQADSA-N 489.019 5.434 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1831375297 SRBQNAACPWMBEW-CYFREDJKSA-N 474.605 5.268 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1831446065 BGDIUQVKUZECBJ-HXUWFJFHSA-N 473.589 5.255 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1)C(F)(F)F 1831453137 SADUJWRSAQRIDT-HXUWFJFHSA-N 479.930 5.240 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)S)CC1)c1ccc(Cl)cc1 1831836705 LBEJEZULUMLZHZ-WTOYTKOKSA-N 451.076 5.018 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1831922057 VHEUREDIIGTAHN-MDZVADFISA-N 490.619 5.220 30 20 JKED COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1C 1832633148 CWFVATYXZSATBJ-LVXARBLLSA-N 473.617 5.178 30 20 JKED COc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1F 1832635911 YHGWGLFIHIRXFC-YADARESESA-N 477.580 5.008 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1)C(F)(F)F 1832711189 VACVDOLQBMVLLO-SFHVURJKSA-N 480.424 5.196 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Br)ccc3s2)C1 1844059734 ISLUQRLVZXFXIN-UHFFFAOYSA-N 473.436 5.249 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)C2 1844252837 QMNQDUJSQDXXIM-UHFFFAOYSA-N 489.614 5.055 30 20 JKED CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 1857591099 MBWXNTAXLNYFJB-RPWUZVMVSA-N 450.707 9.158 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccccc1OC 16863542 QFUSVHGNTBXBCO-OAHLLOKOSA-N 472.998 5.229 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 22162765 DWKDVMDHYZDBBY-CQSZACIVSA-N 475.387 5.002 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 22730284 ZHCIMXXCXHMHQX-UHFFFAOYSA-O 491.530 6.202 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 22731070 OUGFXJFRHNXXQQ-UHFFFAOYSA-O 494.414 6.908 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nc2ccccc2c1=O 23349141 KLFABDGTQMRQGY-SFHVURJKSA-N 457.555 5.494 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)nnc1-c1ccc(OC)cc1 23554346 DIKVCTZDDOOGEA-GJZGRUSLSA-N 493.658 5.416 30 20 JKED N#CCC[C@H](C#N)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3 24095786 MXSKEAZNTHSMPL-CQSZACIVSA-N 455.008 5.515 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccsc2)ccc1Cl 24384054 QTPTWRUNADPKOA-UHFFFAOYSA-N 478.998 5.194 30 20 JKED C=CCc1cc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc(OC)c1OC 26049100 KRIVBIGMFMLGJT-UHFFFAOYSA-N 476.598 5.253 30 20 JKED CC(C)c1ccc(CSc2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)s2)cc1 60384431 ROPOXZOCHVRUCP-MRXNPFEDSA-N 460.694 5.777 30 20 JKED COc1cc(-c2nnc(SCCOc3cccc(C#N)c3)n2C2CCCCC2)cc(OC)c1OC 68727637 MFYBQLHEZGAEDM-UHFFFAOYSA-N 494.617 5.519 30 20 JKED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 72038828 YSYKRBZGRWPTTL-KRWDZBQOSA-N 469.994 5.230 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c1 97545648 CAUNFDIASZWVCA-UHFFFAOYSA-N 471.607 5.143 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 108438400 HNTILIMAZUEZBB-UHFFFAOYSA-N 455.883 5.324 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(NC(=O)NC(C)C)cc3)c2)cc1 207242756 LEPHJZPGQHZMGS-APSNUPSMSA-N 457.530 5.374 30 20 JKED C=CCN(C(=O)CSCc1ccccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 302982732 JUQBRWZBKOOKGX-UHFFFAOYSA-N 450.416 5.964 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCc3cc(Br)cc(F)c32)o1 303137726 AMYZFWIVEYSYOJ-UHFFFAOYSA-N 455.283 5.225 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)cc2F)c1 481680738 BFTRTQOVCOEYNU-JOCHJYFZSA-N 459.477 5.374 30 20 JKED C=CCn1c(Sc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)nnc1-c1ccoc1C 488009449 MISABKGWAHIIEV-UHFFFAOYSA-N 484.372 5.595 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2c(F)cccc2F)cs1 497900333 FONBANVYHMBDAT-CYBMUJFWSA-N 468.466 5.610 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Sc4ccccn4)cc3)s2)cc1 499135795 MZDJYFXXXYNFAJ-UHFFFAOYSA-N 461.597 5.501 30 20 JKED O=C(C[S@](=O)Cc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 501263989 QKNUHHFAMJTHSZ-GDLZYMKVSA-N 461.786 5.404 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc(SC(C)C)cc2)cc1[N+](=O)[O-] 505132298 YTUCAOPPZYOBPV-QGZVFWFLSA-N 493.589 5.372 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1 510581381 YGFSKGMQUVKZNU-LJAQVGFWSA-N 461.565 6.854 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 512856272 MEFNFAQWWHPONT-YIXXDRMTSA-N 453.542 5.076 30 20 JKED C=CCN(C(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518240216 UJTHMBGVMGPXSX-UXHICEINSA-N 486.551 5.614 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)c1 518730174 USRRJBFAYBYTBS-UHFFFAOYSA-N 466.394 5.946 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cc1 520541976 XODUSYABFRSZSZ-UHFFFAOYSA-N 455.539 5.232 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC1CCCC1 521805169 XUJDUXWCVFYEKW-ROUUACIJSA-N 481.618 5.227 30 20 JKED CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 522521865 XTTUQHYZBVLYOB-ISKFKSNPSA-N 475.976 5.600 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 551699769 CBEQSBNGJVQATD-UHFFFAOYSA-N 498.936 6.075 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccco1 553312001 SWBCIIQPHQOISD-JJSQAQTOSA-N 478.618 5.133 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)nc2sccc2c1=O 588636297 LZACCMPLDJOWJI-NZQKXSOJSA-N 478.639 5.212 30 20 JKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589678678 BVVSKJZWDFXUQO-FICVDOATSA-N 476.383 5.946 30 20 JKED C=CCn1c(SCc2nc(-c3ccoc3)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 591772401 NRJIOCRYNOGLAU-UHFFFAOYSA-N 480.546 5.694 30 20 JKED C[C@@H]1C[C@@H](C)CN(c2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)C1 602240344 LMEOHHYYRKICBK-IAGOWNOFSA-N 499.040 5.048 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1Cl 603758901 OAUWKJDLGISDOC-ILBGXUMGSA-N 483.955 5.568 30 20 JKED N#Cc1cccc(OCCSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)c1 603904895 BMXPMBHMCCJGDG-UHFFFAOYSA-N 478.375 5.135 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CSCc2coc(-c3ccccc3)n2)cc1 604003112 CGZSQRIPBFQKPW-UHFFFAOYSA-N 469.566 5.859 30 20 JKED CC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc2c(c1)OCCO2 604084964 PIKKFCBDTYNQEH-DEOSSOPVSA-N 457.530 5.376 30 20 JKED CN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@H]1CCCc2ccccc21 604160148 AZOAEIVQXYFVDV-QHCPKHFHSA-N 459.933 5.478 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cc(I)cc(C(F)(F)F)c2)c1 609057970 BIBOOYVAGZXUBG-UHFFFAOYSA-N 474.220 5.245 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2Cl)c1 609080266 WJKKUIAALYBRCK-UHFFFAOYSA-N 485.975 5.407 30 20 JKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 609081230 WVOYJFCXPORCQH-UHFFFAOYSA-N 450.489 5.210 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 609088533 DCJVEZQIPGPTBR-GOSISDBHSA-N 495.501 5.623 30 20 JKED Cc1sc2ncnc(SCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2c1C 609106310 JPWGARDJDRDSEB-UHFFFAOYSA-N 478.574 5.629 30 20 JKED CN(C[C@@H](O)COCc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609206237 FVCUHHHLBUFPMH-VWNXMTODSA-N 463.965 5.037 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 609370667 LZKAXFYWMBULHT-INIZCTEOSA-N 474.611 5.212 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 609382433 FDJYOTYLPZKZRQ-KRWDZBQOSA-N 458.612 6.359 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 609404533 DRMXUGRNUQLARP-FQEVSTJZSA-N 479.499 5.446 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 609435104 PECMSDANBJRABZ-SFHVURJKSA-N 480.615 5.203 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 609438984 QZSZQZSIMFGLGN-AWEZNQCLSA-N 483.947 5.502 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613405314 XSKZLHWDKNNXRO-LJQANCHMSA-N 492.482 6.032 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 615492323 PUBPXYDRCMOLGY-UHFFFAOYSA-N 461.415 5.910 30 20 JKED CC(F)(F)c1ccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 622518015 UETXEANXKFYSTC-QGZVFWFLSA-N 467.356 6.050 30 20 JKED C=CCN(C(=O)Cc1nnc(O)c2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 622638599 SICHHIMWRZLAAO-UHFFFAOYSA-N 471.369 5.527 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2[C@H](C)C2CC2)nnc1-c1ccc(Cl)cc1Cl 635823980 AYZYDVQRTQZXRH-CYBMUJFWSA-N 477.421 5.336 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC(C)C)cc1 726414589 CJCWDXFQEKKPTF-XMMPIXPASA-N 491.613 5.234 30 20 JKED COc1ccc(C(C)=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1NC(C)=O 726418002 XONSHUIHAINVMH-UHFFFAOYSA-N 480.977 5.326 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)c(C)c(C)c1C 726570494 BJPIFWBMFWKLSA-UHFFFAOYSA-O 464.998 5.762 30 20 JKED C[C@@H]1CN(c2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2C(F)(F)F)C[C@@H](C)O1 727981904 VNSGFCRBKBQQCG-CHWSQXEVSA-N 468.932 5.653 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1F 728425499 NPKBSWSRWRTIQW-GAJHUEQPSA-N 487.560 5.122 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 729146529 SHVBQYVHUJJZMG-NRFANRHFSA-N 476.627 5.101 30 20 JKED Cc1csc(SCc2c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)oc3ccccc23)n1 729416577 PZXPKMILCZIWRE-UHFFFAOYSA-N 489.622 6.045 30 20 JKED C[C@H](OC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1c(F)cccc1F 729660586 NWPYUZDZWVAAFK-PORFMDCZSA-N 467.312 5.586 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1ccc(=O)c2cccc(Br)c21 729848117 HYXGLCGMOBLUFW-UHFFFAOYSA-N 480.175 5.311 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 729888763 OAMIOMLRRKCFSQ-PXNSSMCTSA-N 473.932 5.173 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2cocn2)C1=O 730709819 CKWYVTPXCIQVHB-JOCHJYFZSA-N 492.601 5.241 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1[C@H](C)CCc1ccco1 730713540 SZFAQMYDTLUDMC-QRWLVFNGSA-N 498.008 5.013 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 730989058 GORKQGILNKGQRZ-PQADNYGRSA-N 468.022 5.625 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1Cc1ccc(Br)cc1 731030339 FCRMMWGEGZQJIB-XLIONFOSSA-N 472.452 5.346 30 20 JKED CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2[N+](=O)[O-])CC1 731061206 QOMMTJPGKHDWGJ-SFHVURJKSA-N 496.589 5.021 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1ccc(Br)cc1F 731079474 WDEPNASHHUTBMN-AWEZNQCLSA-N 479.371 5.097 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 743524984 NPLFACMJDRPZDO-FQEVSTJZSA-N 471.554 5.495 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cscn3)C2=O)c1 747598810 FCYOQBRFMLYYFH-FQEVSTJZSA-N 468.579 5.060 30 20 JKED Cc1cc(C(=O)N2CCSCC2)ccc1N=Cc1cc(Br)cc(Br)c1O 750950097 OOCWONDMLPUVIL-UHFFFAOYSA-N 498.240 5.165 30 20 JKED N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)sc2c1-c1ccccc1CC2 751099527 MICXMJOWQSQSCP-UHFFFAOYSA-N 454.305 5.308 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3ccccc3n2)cc1OC 877889165 GGYXRGIETJIFSD-UHFFFAOYSA-N 455.539 5.593 30 20 JKED FC(F)Sc1ccc(NC(=S)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 914707615 XAJXGWZFZKWDDM-JZYVYDRUSA-N 452.436 6.197 30 20 JKED C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1)c1ccccc1 915087079 PZSUYRCHSVLYJU-PIKZIKFNSA-N 495.604 5.634 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccco3)C2=O)cc1OC 916207740 JVHUIYAYKFPRNS-HSZRJFAPSA-N 493.585 5.074 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccco2)C1=O 916211942 HOGQGQZJKIXAOY-HSZRJFAPSA-N 477.586 5.537 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)cc1 916213658 DVKSQGMOYDLBDB-HXUWFJFHSA-N 491.535 5.617 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2cc(Br)ccc2o1 916902382 GCVJAYSIJQSOBX-CYBMUJFWSA-N 461.699 5.127 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916905515 KYUXNCZIXBBHIS-INIZCTEOSA-N 452.898 5.149 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916910689 IQEYTYIKXTYJSH-IBGZPJMESA-N 460.946 5.241 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 916955310 OQELZEMPDCHLBW-YWZLYKJASA-N 450.926 5.184 30 20 JKED CN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918052812 SZRILJCRASPOIZ-UHFFFAOYSA-N 459.893 5.317 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1C 920141840 MNZKWENQVWPXDB-INIZCTEOSA-N 461.597 5.272 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)n2)cc1 920142015 JPJCHELPNLEHFV-HXUWFJFHSA-N 496.013 5.927 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 920425535 QKZYAZZJLGOTHQ-OAHLLOKOSA-N 450.882 5.660 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1C 920891910 GKCVEOINOICQAF-DEOSSOPVSA-N 478.618 5.203 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)COCC(F)(F)F)cc1 921254959 VEICSIBIFDTVQS-HNAYVOBHSA-N 497.514 5.062 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4Cl)cc3)CCC2)c(C(F)(F)F)n1 1785752969 ZJFMEYQKFPHZMV-UHFFFAOYSA-N 499.880 5.082 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cc2)CCC1 1787120983 TZZPWEUTQREKGY-UHFFFAOYSA-N 478.474 5.217 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2C1 1787555626 UMWLQHZEAOKNRF-PTLVVNQVSA-N 485.024 5.186 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCC(F)(F)F)cc3)CCC2)ccc1Br 1787871156 KRURFYFVWPPPHH-UHFFFAOYSA-N 494.311 5.411 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)on1 1788650780 SALGHMWVNDNAAJ-ZHACJKMWSA-N 463.559 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccn5cn4)cc3)CCC2)c1 1789097421 RIEAVGDYGWXFQQ-IBGZPJMESA-N 463.541 5.023 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)cc1 1789324116 FRVHZXIWNQXQRQ-UHFFFAOYSA-N 474.564 5.487 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccn4c(C)cc(C)nc34)CCC2)cc1 1789457874 DEBQBYFVXSLOHD-QHCPKHFHSA-N 456.590 5.467 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5)cc4)CCC3)c2c1 1790257265 PYERCOYGQQLLPQ-UHFFFAOYSA-N 464.525 5.110 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ncccc4[nH]3)cc2)CCC1 1790840687 SKSOUAQFVFYLHJ-UHFFFAOYSA-N 472.665 5.362 30 20 JKED COc1ccccc1CC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1791355107 PZNRVWJEALHACD-UHFFFAOYSA-N 497.595 5.344 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc(C#N)c1)C2)c1ccc(Cl)cc1 1793221609 KLSAKNYFOLUVIB-SFIUMABJSA-N 478.036 5.222 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1794071653 FSDBWPLWPVBGNY-BKFWDETESA-N 471.626 5.073 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cncc2s1)c1ccccc1 1796372054 BLQYWZTTXQFODN-WOZUAGRISA-N 492.044 5.399 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccc(O)cc1 1797878181 JEDFHIOIWRABNK-YOOGPDDSSA-N 476.661 5.134 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3sccc3s2)c1Cl 1798030761 QHAODBGVRHKNSM-QDMKHBRRSA-N 455.992 5.053 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(C(F)(F)F)cc3)[nH]n1)C2 1798332810 GIQIRPFVXIRCBH-PLACYPQZSA-N 486.538 5.116 30 20 JKED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(C)cc4)CCCCC2)C3)c1 1799286540 GVSMHJHHHYABFL-OOSCYNTBSA-N 485.628 5.029 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1802498062 LMZSDMOQZOBXAG-RDPSFJRHSA-N 479.024 5.528 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c(Cl)c1 1802712501 VDIBNOXWQCGVCN-HXOBKFHXSA-N 497.357 5.033 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(C)c2F)[C@@H]1c1cccnc1)c1ccccc1 1802721119 JEDDMQCXOJVDCR-QQNWGBJXSA-N 483.587 5.046 30 20 JKED CCCCCc1ccc(/C=C/C(=O)NC[C@H]2CCN(C(=O)C(C)(C)C#N)[C@H]2c2cccnc2)cc1 1802994391 BIAMWDJGULFRMH-VPFCVVCASA-N 472.633 5.083 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc([C@@H](C)C#N)c3)cc2n1 1803681873 ZRVJQNFLSPGJAV-YWQVJIEVSA-N 487.003 5.389 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)C2)c1 1805329216 URZZHSOEEREILR-UHFFFAOYSA-N 484.427 5.343 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1)c1ccccc1 1805528088 WXLUTGFSPSFRSI-OTNCWRBYSA-N 492.044 5.313 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@@H]1c1cccnc1 1806449082 BVLJECFIKVYBBL-UQAQOTMJSA-N 469.576 5.129 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@H](F)c3ccccc3)C2)CC1)c1ccccc1 1806519800 GRDJSGIIHWNPED-IZZNHLLZSA-N 460.593 5.126 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)C3(C(F)(F)F)CCC3)C2)CC1)c1ccccc1 1809604766 QIUKSVVQAGZZBX-QFIPXVFZSA-N 474.567 5.147 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810240854 RTLMJMNFIYGNBQ-KWCMDZRBSA-N 475.658 5.470 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4cc5c(Cl)cncc5s4)C3)CC2)c1 1810253400 JPMNQIMWCXOPHU-UHFFFAOYSA-N 493.032 5.288 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811251554 LUUJNHNYXTZUAB-WTWMYVDVSA-N 477.608 5.013 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1811953681 XHRKYCDOPNHRHQ-SYVJQLTCSA-N 479.596 5.096 30 20 JKED CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1811976062 FSRGUFKPMGFZRP-VPUSJEBWSA-N 475.709 5.015 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1F 1814587068 DJIWSNIULWCKEY-VGSWGCGISA-N 459.525 5.104 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1815247664 NRMUUMLCTJXADF-SJLPKXTDSA-N 488.963 5.342 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cc(F)ccc3Cl)n[nH]2)c1 1815577061 OUGBXOWSWSRYLM-HJPURHCSSA-N 493.970 5.378 30 20 JKED CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccccc1 1816736015 WJUKATCZFXFQOG-YWXHXYCISA-N 476.602 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)cs2)n[nH]1 1818152362 SJGIYJKKYXZENP-DOTOQJQBSA-N 477.428 5.308 30 20 JKED COc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)[nH]c2c1 1818582917 LBJIHASXGYPADB-NSYGIPOTSA-N 496.571 5.146 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3Cl)n[nH]2)c1 1818744414 OJCUOTLKUHULGG-QFIPXVFZSA-N 472.936 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)[nH]n1 1819304096 ZEMXICRHTPZWSU-APWZRJJASA-N 473.021 5.089 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)[nH]n1 1819555108 ZXXAFXGRZNKRRI-FQEVSTJZSA-N 464.566 5.463 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccncc3-c3ccccc3)n[nH]2)c1 1820007030 OYCAVBOAHADVSN-VWLOTQADSA-N 494.530 5.102 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091497 JIVQGDAXOALMAX-UTKZUKDTSA-N 471.561 5.669 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)[nH]n2)c1Cl 1820218408 WVRVTPSGTKFLIF-SJBKTWHCSA-N 491.954 5.183 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)c2[nH]1 1820219303 NYJHWRFIRVYEEL-NRFANRHFSA-N 486.963 5.344 30 20 JKED CC(C)=CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1820804501 PGCMTDZPLZQLNI-HXUWFJFHSA-N 484.398 5.096 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2CSc2ccccc2)n[nH]1 1821263044 JFMXBZPEJONVQY-HSZRJFAPSA-N 473.602 5.312 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)c1 1821272189 FZBBKSMRNQFIJI-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1821924614 FEZIIKMFYJBZHS-MHECFPHRSA-N 459.594 5.335 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[nH]n1)C(F)(F)F 1821995135 PPSALYJVZGVIRR-FHVRUZERSA-N 471.483 5.023 30 20 JKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)CC1 1822222994 YGYXCUFSGYAGBV-ZFJSRUIDSA-N 461.610 5.123 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)ccc(Br)c2C)[nH]n1 1822582548 LOMOJHQOGUYFSL-LJQANCHMSA-N 489.389 5.119 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823213115 RFKCIFVJUMYOQW-SBUREZEXSA-N 459.525 5.104 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823311767 PGTOMFOYKAYLEZ-MAUKXSAKSA-N 499.862 5.086 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CC(c5ccccc5)(C3)C4)n[nH]2)cc1 1823589267 USUFRQDEHNOKRF-WDEPAJCISA-N 493.611 5.028 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1823750699 RVCOSRDAPZGXFI-RUZDIDTESA-N 454.655 5.240 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1824538552 RJOUTNWJQQUDDT-ACESQOTJSA-N 463.087 5.018 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824837446 PEKTXYLJYODDMD-WGEQDGIASA-N 493.570 5.139 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C)n2)CC1)c1ccccc1 1825037919 QINALYXCLGLQFB-VMPREFPWSA-N 485.672 5.140 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825962483 NUMGWQSRBWKLGZ-KRWDZBQOSA-N 462.459 5.052 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(OC(F)(F)F)cc3)CC2)C1 1826666266 AYCZWGDTODRWLI-BWAMLYQTSA-N 476.539 5.184 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1829565491 YROZLAFSEZHOMG-MHZLTWQESA-N 481.640 5.806 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)ccc1F 1829689707 NINGFPQGLAGLTA-QHCPKHFHSA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1830014941 MPBBQRMHPKVCKY-JYSHFMIGSA-N 467.569 5.251 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)c1 1830119989 ALKASWFXWZIVNF-ZBLYBZFDSA-N 473.617 5.178 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830529638 NPVXCMKHEDUXLA-UXHICEINSA-N 474.564 5.032 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1830767970 UDZNHFFANQJRJE-DEOSSOPVSA-N 460.622 5.039 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 1831367686 MJWLVAXCONXNHM-KKSFZXQISA-N 465.407 5.034 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1831843480 KPQUAROEYQDSRL-AUSIDOKSSA-N 452.620 5.031 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831851838 AQHPZHDXSHGYTA-HYBUGGRVSA-N 476.583 5.318 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1832028544 WFGNODIUXQCPSF-HHHXNRCGSA-N 487.644 5.184 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1832033734 ANMFSCDJTGWROE-HSZRJFAPSA-N 462.556 5.061 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccn(C)c34)CC2)c1 1832632516 SHTGUJIAJJNROJ-KDYSTLNUSA-N 482.628 5.352 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)CC1 1833290580 LDCLKTZXJPAYMQ-UHFFFAOYSA-N 499.699 5.616 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)Cc3ccc(CCCCC)cc3)CC2)CC1 1835683666 RGVDMNUPVJPPNY-LJAQVGFWSA-N 493.736 5.302 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)CC1 1838186989 MSUHMQGGUVXXJW-UHFFFAOYSA-N 483.612 5.090 30 20 JKED O=C(c1ccccc1)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1838565496 NWVPXLSOXYVGGX-UHFFFAOYSA-N 492.619 5.012 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2)c1ccccc1 1844336573 XIKJHPHBCCBUDY-XMMPIXPASA-N 491.591 5.442 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)C1 1847226346 CETBARXOGJDEJJ-BXRRRWKTSA-N 475.608 5.206 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Oc2ccccc2)cc1)[n+]1ccccc1)c1ccc(F)cc1F 10172395 DTQUXNDHAYOPEH-UHFFFAOYSA-O 461.513 6.096 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1 14373389 GTCPEJGRXXLVOV-UHFFFAOYSA-N 461.370 5.627 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1C 21668368 DKCPUATUIRYXPT-OAHLLOKOSA-N 460.962 5.263 30 20 JKED C[C@@H]1CN(Cc2csc(/N=C(\O)c3sc4cc(Cl)ccc4c3Cl)n2)C[C@@H](C)O1 22300612 AYBFJSHBJITMBI-GHMZBOCLSA-N 456.420 5.910 30 20 JKED CCCCCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2cc(Cl)ccc2c1=O 23942193 BCCVHTFTTIRMAX-UHFFFAOYSA-N 487.050 5.587 30 20 JKED C=CCn1c(SCC(=O)N(CC#N)c2ccccc2)nc2sc(-c3ccccc3)c(C)c2c1=O 25638649 UEIBDZXAZYBTDS-UHFFFAOYSA-N 486.622 5.268 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc3c(c2)CCCC3)cc1 28793692 CGKBTYJCYNAVKH-UHFFFAOYSA-O 474.650 5.614 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 29054399 LWDLOENCNXWOPC-NRFANRHFSA-N 487.362 5.129 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccccc1OC 36821538 XCRIQIKJUWQMLZ-GOSISDBHSA-N 450.608 5.691 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1 97542497 HOJMJXOHVRKNTQ-UHFFFAOYSA-N 457.530 5.884 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2ccccc2n1C(F)F 195727839 DVGZGQGZHWLVPM-AVRDEDQJSA-N 451.860 6.081 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc3ncccc3C#N)cc1C)O[C@H](C)C2 409793287 KZRJUCPWAGDQLQ-FHZYATBESA-N 469.541 5.518 30 20 JKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OCc1cscn1 488009045 KSEAFRQNSRPZST-UHFFFAOYSA-N 487.556 5.584 30 20 JKED C=CCN(C(=O)CSc1ccc(C)cc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491084986 LHPUIXZHSCHDKR-UHFFFAOYSA-N 472.657 5.142 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(-c3ccco3)s2)nnc1-c1ccc(Cl)cc1Cl 491323901 SDQHVIWOTMSKFS-UHFFFAOYSA-N 493.401 5.280 30 20 JKED COc1cc(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1 497420203 XODIQTYAQAFWEQ-UHFFFAOYSA-N 494.595 5.598 30 20 JKED CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccc21 500129117 DZYBTJMJVDLBRA-UHFFFAOYSA-N 496.636 5.926 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(CN4CCCC4)c3)c2)cc1 500139040 MQOYUGOSXJVJSC-UHFFFAOYSA-N 454.574 5.249 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 500756052 DRUGLFCXULDBRH-UHFFFAOYSA-N 451.482 6.065 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc(OC)c1OC 508032620 LJYYWSNFCOJQIK-QHCPKHFHSA-N 499.571 5.008 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CC2)cc1 508270524 XIASOTIZFQUWJN-UHFFFAOYSA-N 486.572 5.108 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 510221002 GSCJLHCIYYGMOH-UHFFFAOYSA-N 464.319 5.224 30 20 JKED CC(=O)N(c1nc(CN2CCN(Cc3ccc(C#N)cc3)CC2)cs1)c1c(C)cc(C)cc1Cl 510640721 LWRXFZLSPOGZGA-UHFFFAOYSA-N 494.064 5.287 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 511578458 SHUFVKZNCACBSQ-KRWDZBQOSA-N 463.534 5.497 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 512921382 ONFRGSPKGKTERY-CQSZACIVSA-N 488.400 5.341 30 20 JKED C=CCOc1c(Br)cc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1OC 513636639 DPSSJQQFSSLOBC-UHFFFAOYSA-N 499.380 5.704 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc12 513692165 JYHWEFNTHVTRET-GOSISDBHSA-N 499.621 5.534 30 20 JKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 515518138 SMMBPUKUJDXCFV-OAHLLOKOSA-N 450.882 5.138 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1C 517472892 DVAHRKVQLSIACP-SFHVURJKSA-N 481.666 5.087 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)n2)cc1 517801170 YXFVUMYYEKKHGO-LJQANCHMSA-N 483.553 5.894 30 20 JKED C=CCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 518170757 CQQQDZGZPBWLEF-UHFFFAOYSA-N 479.949 5.699 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccccc1S[C@H](C)CC#N 518240938 MFVKGJNLPBMENH-CQSZACIVSA-N 473.524 5.478 30 20 JKED Cc1cccc(C)c1OC[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 518554129 OGEQRQVOXZBZBJ-XXBNENTESA-N 475.976 5.135 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 519954355 SIFPCSBQMALMCZ-BDYUSTAISA-N 482.584 5.113 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 521328337 NVDLGTVLNIQRBK-NSHDSACASA-N 479.343 5.663 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 521329701 KZSWUCTVFDBUCP-QGZVFWFLSA-N 483.590 5.202 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccc(OC(C)C)cc1 521812934 NAUOTAAEWIVCHN-QGZVFWFLSA-N 479.512 5.255 30 20 JKED Cc1ccccc1C1(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCOCC1 523592470 HZTCRBVMRBBFEL-UHFFFAOYSA-N 471.576 5.466 30 20 JKED CCOc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OCC 523818091 BFLQYNPKMKSAED-FQEVSTJZSA-N 475.564 5.968 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@H](c4ccccc4F)C3)cc2Cl)c1 524439052 DSCLACIWJQDJNC-DEOSSOPVSA-N 465.912 5.535 30 20 JKED C=CCN(C(=O)Cc1nc(-c2ccsc2)oc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 582500116 OFWKLCQONFQTSI-UHFFFAOYSA-N 466.544 5.505 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 588342237 RJXGORAKJICYDS-MRXNPFEDSA-N 450.354 5.315 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)CC1 603460287 SWXQZZYAOYTFFW-AVKMWPRFSA-N 492.554 5.476 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 603502113 CHGFEFWEJRAKTE-UHFFFAOYSA-N 491.616 5.602 30 20 JKED CCOC(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1 603613697 NVSALFJKBSZHKJ-KRWDZBQOSA-N 455.879 5.038 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c([N+](=O)[O-])cc1OC(F)F 603613821 YASHZYKDYYSDRV-JTQLQIEISA-N 487.362 5.323 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cc(F)c(Cl)cc1Cl 604131774 JWXVGMSZEMQMOK-LBPRGKRZSA-N 473.291 5.007 30 20 JKED CC(C)(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cccc(Br)c1 608802301 MTKUODZTGKGFNH-UHFFFAOYSA-N 473.421 5.381 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nncn3CCc3ccccn3)c2C#N)C1 609026434 WUVNSPWBSUVVDO-QGZVFWFLSA-N 494.690 5.121 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1-c1ccccn1 609062848 ICDNFFODYAAULV-UHFFFAOYSA-N 471.948 5.747 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 609078856 QYHNASCDCCSDKX-XMMPIXPASA-N 460.603 5.466 30 20 JKED CSc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2F)N2CCc3sccc3C2)cc1 609252492 ALMVJJRJBLYSCW-HSZRJFAPSA-N 480.634 5.080 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609398301 KDXALSDQRDGQLQ-HNNXBMFYSA-N 462.388 6.060 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(F)cc2)cc1 609438700 RMUCNOCLFXSZIS-BXKMTCNYSA-N 477.561 5.073 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613405023 TUWNSBBXWSSYGE-HNNXBMFYSA-N 491.292 5.753 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 619753814 OOEAWBOEHUZMPS-FQEVSTJZSA-N 477.467 6.256 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)N1c2ccccc2C[C@H]1C)C(C)C 639394122 CDVKFIWMDGWIPB-HOYKHHGWSA-N 480.609 5.277 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc2ccccc2n1C(F)F 642282425 QCJJQFITVSTLJU-NSHDSACASA-N 463.341 5.265 30 20 JKED N#CCSc1ccccc1C(=O)NCc1cccc(NC(=O)c2ccccc2SCC#N)c1 725715981 NPTQZDAVHGOGOU-UHFFFAOYSA-N 472.595 5.100 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 726400171 OQPZCEZYKNCBAV-DYESRHJHSA-N 474.026 5.342 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 726410837 JEZFLKKNKGBASS-CLOONOSVSA-N 498.608 5.183 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)S/C1=N\[C@@H](C)c1cccs1 726419774 GSOVQLTXSZGLTK-VCIZKGPESA-N 480.453 5.310 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@H](C)c1cccs1 726421646 RHPWDJIGTBQZOI-RTUPBPBVSA-N 496.427 5.186 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCO3)cc1 726571638 ZVIRPLGTJPXOCQ-UHFFFAOYSA-O 462.982 5.320 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C/c3csc(N(C(C)=O)c4ccc(Cl)cc4)n3)SC2=S)c1 726627551 ROUSEDZAZHVEIL-NDENLUEZSA-N 496.038 5.868 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc2Cl)c1 727999949 WVFFBGIGISPALX-UHFFFAOYSA-N 476.888 5.039 30 20 JKED COc1ccc(OC)c(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 728062662 RZOINZIIGOAUKG-MRXNPFEDSA-N 465.937 5.247 30 20 JKED C#Cc1cccc(N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)c1 728537126 AZCFOXYKAAJMME-UHFFFAOYSA-N 459.354 5.052 30 20 JKED Cc1cccc(-n2c(C)cc(C(=O)Cn3cc(C#N)c(=O)c4cc(Br)ccc43)c2C)c1 728705568 ZOTFFUTYHDPMFY-UHFFFAOYSA-N 474.358 5.235 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2c(C)cccc2C)ccc1OCc1ccccc1 730566352 KGGISMHPRMFWGH-UHFFFAOYSA-N 474.586 5.232 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc(-c2cccc(F)c2)n1 731063710 MHSBCXWLRBCHPT-HNNXBMFYSA-N 469.563 5.068 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1N(C)C(=O)c1cccs1 731065980 ITVYSXUTQRPPKU-KRWDZBQOSA-N 493.610 5.214 30 20 JKED CCc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c3c2CCC3)cc1 731079240 UYRCWJKLECGUKR-SFHVURJKSA-N 488.613 5.113 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1 731305153 HTKZSGTVUAAYKH-NRFANRHFSA-N 465.600 5.177 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CCCC2)c1 731312992 UXWQZBYLPZJMLS-HSZRJFAPSA-N 497.617 5.093 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccccc2C)n(Cc2ccco2)c1=S 745155489 RZBNVMWOPOIMRY-UHFFFAOYSA-N 475.574 5.585 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 747398658 AAVPOYQEXFZCRQ-DWACAAAGSA-N 499.567 5.016 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)cc1 747602284 ZIWYEXOIFBVHKC-HXUWFJFHSA-N 468.579 5.005 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C(=O)NC3CCCCC3)CC2)c1=S 748085185 XMVAOJRVSUUIGW-UHFFFAOYSA-N 474.074 5.039 30 20 JKED COc1cc(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)ccc1OCC(=O)Nc1ccccc1Cl 749450979 DFYXXZSBXXUPOP-UXBLZVDNSA-N 478.907 5.883 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(Cc3ccc(OC)cc3)CC2)c1=S 749888073 TWAIGERYHQUKOT-UHFFFAOYSA-N 464.635 5.196 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC(F)F)cc1 799219864 ZOCJHMOWGHSADK-OAQYLSRUSA-N 479.508 5.035 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O 838579213 KOHZRNOHURJNHM-IBGZPJMESA-N 479.936 5.058 30 20 JKED CC1=C(C(=O)OC(C)C)[C@@H](c2cn(CCC#N)nc2-c2ccccc2)NC(=O)N1Cc1cccs1 840195914 FZYDPTQHGNGPFR-XMMPIXPASA-N 489.601 5.017 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(F)F)cc1 914545642 FUHWJRRJPSRANE-UNMCSNQZSA-N 487.572 5.286 30 20 JKED CCN1CCC[C@H]1Cn1c(C)cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1C 914692249 NIJSANFNBNEEDK-QHCPKHFHSA-N 473.646 5.218 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2Cl)c(C)s1 914694932 YXRVRAFERXGXDV-BFUOFWGJSA-N 462.040 5.380 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102960 LWVOKGWXEMZSNO-IFAPSTIQSA-N 471.626 5.751 30 20 JKED N#C[C@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2cc(C(F)(F)F)ccc2s1 915104112 KWSYLKHBQGSKCA-DIFFPNOSSA-N 481.908 5.648 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915104923 XHLMQGDDYDELTB-MRXNPFEDSA-N 493.457 5.322 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1Cl 915893727 AJIPKUQPOQORLU-GOSISDBHSA-N 454.864 5.034 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1OC 916127601 QJQKNJOXRIHDLH-OQFOIZHKSA-N 487.886 5.549 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1cccc2ccccc12 916210243 YSCPMOLICMCPRP-NFBKMPQASA-N 477.561 5.118 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 916213093 YLCXQLXNRAJAFQ-HXUWFJFHSA-N 493.551 5.401 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(C)cc1Br 916902515 YYURIBYJUGLXHQ-XHPSBEMXSA-N 461.743 5.089 30 20 JKED N#C[C@@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1cccc2ccccc12 916918806 SGXCHPNRBNIVSX-FQEVSTJZSA-N 494.601 5.951 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)cc1Cl 916938886 ORSOIDXOVDZLSF-OKEUPSHZSA-N 457.235 5.382 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995769 FOFXABTXQJIYPJ-AWEZNQCLSA-N 489.409 6.428 30 20 JKED N#C[C@H](C(=O)COc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917044709 UVOALFFHPZEZTQ-CYBMUJFWSA-N 455.255 5.333 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)s2)c1 917666206 FORKTKYAUQJKEV-NRFANRHFSA-N 483.590 5.365 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2Cl)cc1 917676840 ZCIALZJMBJNQSI-QHCPKHFHSA-N 489.000 5.050 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2C#N)o1 917700025 MULREWVJJCXXFB-KPCPBYSCSA-N 498.608 5.113 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2C#N)cc1 917702339 GITHCNJUZSJOKL-VWLOTQADSA-N 498.608 5.344 30 20 JKED CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(CCC#N)c1cccc(Cl)c1 918023904 OJBSJHKBHFTLKV-UHFFFAOYSA-N 482.993 5.034 30 20 JKED N#CCOc1ccccc1C(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 919991940 NVJYQXFZVGOPER-SFHVURJKSA-N 487.503 5.557 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cc(C)on2)c(C)c1 920353152 BUEMBKZMLPCSQC-OAQYLSRUSA-N 484.528 5.039 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(Cl)c2C)no1 920353882 VWBWOHRMJLOBHL-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cc(C)on3)C2=O)c1 920359753 QYNQKIKSIBPIPU-XMMPIXPASA-N 490.629 5.884 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 920866820 KEGIUKXOHYENGZ-DNVCBOLYSA-N 493.601 5.244 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 920869968 QSSYPJIOYBKXBQ-ZUOKHONESA-N 495.979 5.169 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)C[C@@H]21 1783542019 DAGZVFOJJDTWGU-TWDDROGUSA-N 475.073 5.052 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)cc2)CCC1 1786140743 YTVDCZSAUPZRQP-LJQANCHMSA-N 469.626 5.050 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)CSc3ccc(F)cc3F)cc2)CCC1 1786323373 MVNIXIWBNXGSRB-NRFANRHFSA-N 464.603 5.145 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)cc2)CCC1 1786343947 IDFNNUANEJOQEJ-CPJSRVTESA-N 473.617 5.013 30 20 JKED CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cn1 1787258116 SVJRUKBUDJFKSB-LJQANCHMSA-N 452.558 5.333 30 20 JKED COC(=O)CCCCCCCCCCC(=O)NC1(c2ccc(NC(=O)CC#N)cc2)CCC1 1787650795 WAJCCEPTOCZBNM-UHFFFAOYSA-N 455.599 5.108 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)cc3)CCC2)CCC1 1787951285 YUHHIEKYHQBHDJ-HVCNVCAESA-N 468.601 5.192 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cnn4c(-c5cccs5)ccnc34)cc2)CCC1 1788499916 SXELXSHJJYVFHN-UHFFFAOYSA-N 497.624 5.399 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1789496272 OWGLYMPJKVGFAA-HSZRJFAPSA-N 477.992 5.209 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5ncccc45)CCC3)cc2)c1Cl 1790083746 KAWOZWKVZXNLET-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)s3)CCC2)cc1 1790519553 NNNHLQXIEHGIFT-FQEVSTJZSA-N 498.649 5.059 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)cc1 1790761926 KIJREGZMGUQGND-DNQXCXABSA-N 483.543 5.257 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(Br)cccc4n3)CCC2)cc1 1791250529 TWNNHIHSSZZWLW-INIZCTEOSA-N 481.394 5.057 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(N)c(Br)cc3C)CCC2)cc1)C(F)(F)F 1791303406 YCTXHRORKIXTKB-UHFFFAOYSA-N 496.327 5.206 30 20 JKED CCOc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1OC 1791497843 FFKOGONLTQSESB-UHFFFAOYSA-N 497.595 5.150 30 20 JKED COc1ccc(F)cc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1792107982 WIUJPVDOSZCHGR-ZRDIBKRKSA-N 478.545 5.083 30 20 JKED CC(=O)Nc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792124346 UZSUWGFWJQWRLL-IBGZPJMESA-N 480.568 5.334 30 20 JKED COC(=O)c1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1 1792127483 ZOXLLWFQJZQTSU-FQEVSTJZSA-N 495.579 5.091 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ccnn5c4)CCC3)cc2)cc1C#N 1792168907 MWPLGYVDNBGYHD-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)CCC2)cc1 1792263363 YTUVEVRATOLFHL-UHFFFAOYSA-N 480.490 5.257 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1796964171 FXFLPCMTDJTZOF-CIAFKFPVSA-N 452.982 5.620 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cccc3s2)c1 1797650259 TUPNHRZAECJBKA-MUJYYYPQSA-N 467.953 5.131 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nc(Br)sc3c1)C2 1798334780 JHMMOTNFKFGQLD-MHORFTMASA-N 488.451 5.079 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccccc4)cc2)C3)c1 1800764930 JNVJWADPTTYERP-QEIWAGNOSA-N 465.553 5.225 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(SC)cc2)[C@H]1c1cccnc1 1802501291 KQVIOCFTEMZDKI-DHLKQENFSA-N 465.663 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1802857530 MSDSHZVSISFRLR-HYBUGGRVSA-N 472.004 5.115 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1803081854 IQFAYKPVUQSXRE-WNJJXGMVSA-N 494.639 5.540 30 20 JKED CC(C)[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1803220591 CYDJLAGVWSRCSD-NWIVXPOESA-N 494.639 5.468 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)CCc4ccc(C#N)cc4)C3)CC2)CC1 1804762247 HSQYCEZYJAOLHY-DIVCQZSQSA-N 463.666 5.184 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C)nc4ccc(O)cc34)CC2)C1 1804862037 FQBAVQQPSFDMEQ-UHFFFAOYSA-N 463.622 5.086 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@H]1c1cccnc1 1806449072 BVLJECFIKVYBBL-GMHONNGPSA-N 469.576 5.129 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C1 1806679011 VSVNBRHFZDSHLE-UHFFFAOYSA-N 464.631 5.243 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccnc(C(F)F)c3)C2)CC1)c1ccccc1 1807386581 YLEAXKOGROGFFO-QHCPKHFHSA-N 479.571 5.061 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 1809493062 CJDFKKLGQGJYHH-VBWPISRSSA-N 490.563 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1810180878 ACNSXHKONCLMQV-GSLIJJQTSA-N 453.671 5.852 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@H]1c1cccnc1 1810489125 KDQCPVLPXVVSFZ-GCJKJVERSA-N 457.977 5.186 30 20 JKED CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1)c1ccccc1 1811415474 BRONQDVDUYPKCM-JCYRPKCISA-N 487.003 5.120 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)ccc2c1 1814379512 BULPCAZOHSPILK-SANMLTNESA-N 492.583 5.077 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2Cl)[nH]n1 1814824218 PSLSIMPRZBCLTG-OAQYLSRUSA-N 458.965 5.205 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)C#CC4CC4)n[nH]3)ccc21 1815118961 VMEXSUZJWHGBIZ-SANMLTNESA-N 479.584 5.257 30 20 JKED Cc1csc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1815898068 ZGLJEADNHHKXMV-FDDCHVKYSA-N 475.618 5.345 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cccnc34)n[nH]2)c1 1818484666 MRDDHFCSXISFTG-UUOWRZLLSA-N 478.556 5.205 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)oc2ccccc12 1818569744 IZUINXLXNYNEBB-HXUWFJFHSA-N 487.947 5.609 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N(C)C)c3ccccc23)n[nH]1)C(F)(F)F 1818609565 YKKXBBHJSMMRPM-NRFANRHFSA-N 485.510 5.053 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1819384942 GARFDTMYFKTMGK-OAQYLSRUSA-N 493.709 5.376 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccnc4ccccc34)[nH]n2)c1Cl 1820218882 GFNJEQFZKZMHIM-QFIPXVFZSA-N 484.947 5.103 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820317201 ZSRBNIVYLYZZGZ-JTSKRJEESA-N 461.541 5.129 30 20 JKED C=CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)sc2C1 1821217064 BLVHJSBDJHZJNW-HNNXBMFYSA-N 462.600 5.155 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)cc(C(F)(F)F)c2)n[nH]1 1821362603 KRUHNJLAZARLNS-PZJWPPBQSA-N 490.526 5.511 30 20 JKED C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)Oc1ccccc1 1821783408 ATLLDMQJTSTXPS-HXOBKFHXSA-N 491.979 5.098 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(Br)ccc2Cl)n[nH]1 1821871127 MSJOTQKQOZCLTG-LIRRHRJNSA-N 493.833 5.273 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)[nH]n1 1821987988 GFZJUXITRFCONC-ZGKFYVQTSA-N 493.352 5.089 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)[nH]n1 1822401171 CDQKFZGYLAZVPC-IBGZPJMESA-N 464.488 5.013 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CC(c4ccccc4)(C2)C3)n[nH]1 1823593515 QTQKRXGOLYXYRI-MYVBKLJSSA-N 458.606 5.292 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CC2)C1 1823701283 FWCRMCGKNWNQHB-HHHXNRCGSA-N 483.656 6.014 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccc(Cl)cc1 1823978255 YADCZABIUIYWRG-CJAUYULYSA-N 481.999 5.388 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1824053409 XALYFXBHZNBINR-JOCHJYFZSA-N 491.682 5.701 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)cc12 1824053453 ZAPSEHAWKNNQGL-MUUNZHRXSA-N 482.628 5.214 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc5ccoc5c4)sc3C2)c1 1824069646 HSKQPRXHBVXVFK-MGPUTAFESA-N 470.554 5.056 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1824957640 PWXAKKYMEBYNPM-XMMPIXPASA-N 499.627 5.179 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1)c1ccccc1 1825645184 DANCJBVTJBQDNM-RPBOFIJWSA-N 489.685 5.451 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1826321829 NKWHGYUNYZPXFR-XMMPIXPASA-N 480.008 5.066 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)cc2n1 1827278940 OETQOKXDTJOMSP-DEOSSOPVSA-N 493.724 5.421 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)cc2c1 1828525776 YOWREGFZGHAUBI-RUZDIDTESA-N 485.584 5.055 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879294 GFRAUUAFFDJQPZ-RUYOUXBXSA-N 452.664 5.414 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)CC1 1829822339 YBTOZACQQDCPRV-VWNXMTODSA-N 454.659 5.028 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)CC1 1830274908 PALFETFAXNFKCZ-QPPBQGQZSA-N 493.051 5.165 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492535 WCVNIDDZUAUMPO-VWLOTQADSA-N 459.590 5.262 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830633308 JTUBEEQSBMYFLS-AJTFRIOCSA-N 457.618 5.098 30 20 JKED Cc1cc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c(C)c1 1830633785 WXMROQXTNSCOMN-AREMUKBSSA-N 457.618 5.225 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755155 AIMOVQQANUXQLM-BJKOFHAPSA-N 487.566 5.579 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1831369882 CTEQNHAXFICCLU-XMSQKQJNSA-N 450.545 5.080 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1831953580 FMMCRBIZTLKBME-KDYSTLNUSA-N 475.608 5.237 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 1832031905 ZAGUPSNRHQVHDY-JOCHJYFZSA-N 493.873 5.529 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(C)CC=CCC3)CC2)cc1C#N 1832411650 QHSSVPMRGBPCRG-ABYGYWHVSA-N 477.649 5.325 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633849 FKJWDCDYJMNKAT-YADARESESA-N 479.024 5.218 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(OCCC)cc3)CC2)CC1 1838423825 GPXWIHCKWAEROW-UHFFFAOYSA-N 470.654 5.080 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc3cc(Br)ccc3c2)C1 1844008056 BKKDSHPSEDEEPP-QFIPXVFZSA-N 467.407 5.188 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1occc1C)C2 1845227177 TZWORESOGHZEFE-NRFANRHFSA-N 489.657 5.049 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)C3)c1 1846830687 VPBVXPFAOIJZNS-RTBURBONSA-N 483.534 5.039 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1sccc1C#N 9033702 OZRZRJHXJPSWBA-UHFFFAOYSA-N 476.027 5.536 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760957 XIYBUDRVUGYWQN-UHFFFAOYSA-O 482.044 6.604 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(C)c(F)c1 11082870 BSACQQJSPBGFLP-UHFFFAOYSA-O 452.575 5.182 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2cccc(Cl)c2C)[n+]2ccc(N(C)C)cc2)c1 11258329 DTPGVSGMFHXJCT-UHFFFAOYSA-O 453.031 5.670 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(C)c2)c(Cl)c1 15248204 LUIFNLBYYVFCKH-UHFFFAOYSA-O 478.852 6.910 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccnc2Cl)nc2sc3c(c2c1=O)CCCCC3 16746671 BZOUFZZTIGCMHW-CYBMUJFWSA-N 475.039 5.081 30 20 JKED C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nc2sc(-c3ccccc3)c(C)c2c1=O 17131693 NUUFTAFLIPJNTD-UHFFFAOYSA-N 483.565 5.628 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)nnc1-c1ccoc1C 21177323 ZRCXPZKOHLNTJI-UHFFFAOYSA-N 496.017 5.943 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)c1 21875488 MCQXBUKSUBXVBC-SFHVURJKSA-N 463.582 5.463 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(C)c2)cc1 22800588 QOZBPLKZFAFSAO-UHFFFAOYSA-O 474.433 5.369 30 20 JKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 23212646 WVQOQVQNDKLUSO-KRWDZBQOSA-N 456.015 5.196 30 20 JKED C[C@@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccc(C#N)cc1 26129377 OZIBPFUYOWMSKL-RHTHQAGFSA-N 468.538 5.884 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(-c3ccco3)nc3ccccc23)n(Cc2ccco2)c1C 45669954 WDKWUKPORGBSRY-UHFFFAOYSA-N 483.553 5.552 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)nnc1-c1ccccc1F 195677215 LIAKYVGMEKQOMB-QFIPXVFZSA-N 466.582 5.125 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)cc2)cc1 195704327 JZWYFCZQDPGNTJ-UHFFFAOYSA-N 455.901 5.466 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nnc1-c1ccncc1 255929844 OCVHTFMQUDEWDS-UHFFFAOYSA-N 476.631 5.576 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 303141236 DQCFBZGMPZPCQU-KRWDZBQOSA-N 493.679 5.912 30 20 JKED Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)cc1 303206116 PQCSEAONYLMRFM-DEOSSOPVSA-N 498.652 5.833 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 483367903 AEWXCVYVGTXJCL-RDPSFJRHSA-N 455.533 5.149 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2cccc(Cl)c2Cl)c1 484859871 BAWGHXTVBSAIAC-UHFFFAOYSA-N 484.408 5.568 30 20 JKED COc1ccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC1CCCC1 491720729 FGUSDMVFKAYASN-UHFFFAOYSA-N 495.630 5.354 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccc(F)c2)C2CC2)nnc1-c1ccc(Cl)cc1 499137179 VCJABXVTPMJMCM-UHFFFAOYSA-N 456.974 5.207 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)c1C 501602440 LXOHDURIASIDGI-UHFFFAOYSA-N 483.037 5.362 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 502662306 MYQGOVNLNUSNMB-UHFFFAOYSA-N 474.374 5.353 30 20 JKED O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 505461689 SXPYWMKJEYJSJC-LRDDRELGSA-N 457.349 5.335 30 20 JKED CCN(C(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1)[C@H](C)c1ccc(C#N)cc1 509614612 COUHATCQDPGUIK-HXUWFJFHSA-N 461.587 5.199 30 20 JKED C=CCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)Cc1ccc(Cl)s1 510147520 ZQJJTBYQKPJASZ-UHFFFAOYSA-N 452.432 6.384 30 20 JKED C=CCOc1cccc(NC(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)c1 510404572 RKPBRDCXLWSDGP-XMMPIXPASA-N 471.557 5.704 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(COc3ccccc3)CC2)cc1Cl 510640927 NIXPVOHSZOGOMT-VWLOTQADSA-N 459.977 6.318 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1-c1ccccc1OC 513299057 RSRNJMKFWNUEAH-UHFFFAOYSA-N 468.579 5.607 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)cc1 513728851 VJSMCFZKHGRGSP-DEOSSOPVSA-N 477.948 5.406 30 20 JKED Cc1ccc(Br)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513991919 LLPAMUNRQIWRCA-UHFFFAOYSA-N 452.327 6.003 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3cccc(Oc4ccccc4)c3)c2)c1 514549879 ZHTUNPCUQAYMAU-UHFFFAOYSA-N 477.520 5.184 30 20 JKED CCc1ccc(OCc2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)n2Cc2ccccc2)cc1 515164425 NTNREKBYGBLGQJ-UHFFFAOYSA-N 471.542 5.399 30 20 JKED Cc1ccc(-c2ccc(CN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C(C)C)s2)cc1 516374679 OERORHKAQPTFAM-UHFFFAOYSA-N 471.630 5.625 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 517532867 PXIGHYSWWKAHAE-HOYKHHGWSA-N 455.587 5.879 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SCc4csc(C)n4)cc3)n2)cc1 517800760 GOUBEFOKBRFSTL-NRFANRHFSA-N 477.636 6.366 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C 517909499 IMMXRLOUQOROBI-YCRPNKLZSA-N 456.409 5.501 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 518158743 MLMNKVKJQNOJQH-KSFYIVLOSA-N 456.011 5.578 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(C(=O)Nc2ccccc2)cc1 518667495 BWKZFAUNQGHZKE-IBGZPJMESA-N 475.639 6.063 30 20 JKED N#C[C@@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 519250543 NRXYRKJBROFUSE-HNNXBMFYSA-N 457.864 6.521 30 20 JKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)[nH]c2c1 519934725 QGRGDURHKZUHET-XMMPIXPASA-N 464.529 5.364 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cn2)c1 520599778 JPFHHWXPEIYEMF-UHFFFAOYSA-N 466.497 5.868 30 20 JKED COc1cc(Br)c(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 520959566 SLKOMYMPTHLNRJ-UHFFFAOYSA-N 467.363 5.207 30 20 JKED COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 521733487 HLVMIJMUILBQOU-GOSISDBHSA-N 495.626 5.024 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 523622482 IXISYBNKWMOLGC-QFIPXVFZSA-N 474.561 5.026 30 20 JKED Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1NC(=O)c1ccccc1 524390111 SSJRGYGJXNCVND-UHFFFAOYSA-N 461.521 5.950 30 20 JKED CC1CCC(OC2CCN(C(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)CC2)CC1 562863249 CISVCKPXWREXSP-UHFFFAOYSA-N 491.657 5.489 30 20 JKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 588819181 BIDNMMYWJRCLOK-UHFFFAOYSA-N 485.319 5.351 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(COc4ccc(Cl)cc4)o3)c2C#N)C1 589939933 DXJTZRJUEJZBSR-CYBMUJFWSA-N 489.022 5.481 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 603706104 AZIZNJXBXOXRFN-IVZQSRNASA-N 451.979 5.631 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 603953940 STFBOYPGZOBUOR-UHFFFAOYSA-N 473.472 5.159 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 603963586 RYAGHDBXWKUNCU-UHFFFAOYSA-N 499.011 5.177 30 20 JKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 604044215 CLQCEFALRRLXAL-HNNXBMFYSA-N 473.882 6.249 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1 604569115 YRBPASOIROWNQX-UHFFFAOYSA-N 456.523 6.497 30 20 JKED Cc1ccc(C)c(Sc2ccc(NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)c1 608992661 ICIUBQMTIMKBGC-UHFFFAOYSA-N 457.603 5.512 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 609060437 DXMKWRUZRIKYNY-UHFFFAOYSA-N 463.493 5.742 30 20 JKED N#C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(OCc2ccccc2)cc1 609172912 GONBDJFKMPCENQ-RUZDIDTESA-N 455.539 5.296 30 20 JKED Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c(C)c1 609428545 UADSBDBLTBRIHQ-FQEVSTJZSA-N 485.675 5.046 30 20 JKED CCC[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)Nc1cccc(N2CCCC2)c1 609435381 KTCOOHUEFZDVTQ-WMZHIEFXSA-N 479.650 5.610 30 20 JKED CC(C)Cn1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc2c1=O 613405291 WYXOCQKSWNZKEP-INIZCTEOSA-N 470.476 5.171 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301113 KBHCPZROFMREMW-GHMZBOCLSA-N 491.272 5.692 30 20 JKED FC(F)(F)c1ccc(-c2nc(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cs2)cc1 618449340 FQLFJBHHOLBDRT-STQMWFEESA-N 462.381 6.392 30 20 JKED CN1CCCC[C@H](N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C(=O)[C@H]2CC[C@H](C)CC2)C1=O 669370737 KPNFBUNNEPDDOK-BJLQDIEVSA-N 472.651 5.014 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2n1C(F)F 726322930 RJNSBWIOCMRCEQ-OAHLLOKOSA-N 476.430 5.993 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2nccs2)cc1 726416064 RNUDSWDFXVKTPZ-NRFANRHFSA-N 494.642 5.133 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S/C1=N\[C@H](C)c1cccs1 726420608 IWSQKRBUCNXCMM-NSJWOJMJSA-N 481.643 5.328 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726420735 MULDCFIXPCXWKK-BWXASHAWSA-N 453.589 5.240 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)c(C)c(C)c2C)cc1 726570532 DJUNVKLZZNLGGJ-UHFFFAOYSA-O 477.053 6.619 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc3ccccc3o2)cc1 726570550 FOFZSWPQXLSTJY-UHFFFAOYSA-O 460.966 6.131 30 20 JKED Cc1cc(C)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(Cl)c1 727978213 CLJOEHMSXOXOLD-UHFFFAOYSA-N 456.398 6.870 30 20 JKED CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 728192123 CSDMGERHMLUUQG-XMMPIXPASA-N 475.520 5.481 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)cc1 728700329 OTBCJNCEHNHHQZ-UZPSYVQNSA-N 468.365 6.745 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ncccc2C)cc1 729632876 BBKMAEPZVLYFJR-QHCPKHFHSA-N 492.576 5.088 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 729634152 IVONJQQPCMHGPB-QFIPXVFZSA-N 489.988 5.076 30 20 JKED COc1cc(CNCc2ccc(OCC#N)cc2)ccc1OCc1ccc(Br)cc1 729685553 XXARZLLJQMXIEF-UHFFFAOYSA-N 467.363 5.229 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730461895 UBWHBDGGAXAXAY-LJQANCHMSA-N 477.508 5.227 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730942558 RWPHSTCJAPFJBI-WMZHIEFXSA-N 458.587 5.420 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 730945129 NNXNEBZZJHIQJY-BTYIYWSLSA-N 466.513 5.081 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1Cc1ccc(Br)cc1 731030171 FCRMMWGEGZQJIB-FXAWDEMLSA-N 472.452 5.346 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N([C@H](C)c3ccccn3)C2=O)cc1 743526313 VIJGYFSGCSWYKE-WZONZLPQSA-N 476.577 5.559 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cc(Cl)cc(Cl)c1 745988922 GMVLVDGJLGYBPF-LJQANCHMSA-N 494.400 5.157 30 20 JKED CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C)c1c(C)nn(C(C)C)c1C 746485506 XLSKELWIZIMIAX-UHFFFAOYSA-N 498.609 5.243 30 20 JKED COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1OCCCC#N 747361686 WHBDKBVOSQJANG-LGMDPLHJSA-N 454.939 5.218 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cscn1 747601304 GBNXQQAMHZETIN-FQEVSTJZSA-N 499.061 5.882 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 749338590 RQFZVLOISRJGPS-QFIPXVFZSA-N 497.576 6.351 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 825887592 VLGZZJNJONXESD-UHFFFAOYSA-N 478.557 5.697 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccs2)cc1 838085497 ASZJDVLNWOYGDU-JOCHJYFZSA-N 495.626 5.316 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1ccccn1 838519709 OBWVQMZXCJNHHX-IVZQSRNASA-N 496.539 5.090 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccco3)C2=O)c1 838592973 WMYPXESPNNTCLB-NRFANRHFSA-N 469.513 5.335 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 839415849 MJIPUGRPXMYKBN-UHFFFAOYSA-N 476.562 5.081 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 855748578 FXLUTIJCHMLEQA-SFHVURJKSA-N 495.604 5.745 30 20 JKED CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)ccn1 856658887 FZRGDSYVAHAYRE-XMMPIXPASA-N 486.641 5.238 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cccc2c1=O 875063633 IAABSEWYEHWAFG-UHFFFAOYSA-N 477.545 5.940 30 20 JKED Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 901971430 JYZVURRENJXKAA-UHFFFAOYSA-N 485.594 5.515 30 20 JKED C=CCC1(c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)CCOCC1 904671509 ZGXGQMCNGUHEII-UHFFFAOYSA-N 465.859 6.220 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(C)c2)C=C1 912791719 VYXSEFOPKLASNT-UHFFFAOYSA-O 472.512 5.395 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 912828214 AMUPDCXKQATSGQ-UHFFFAOYSA-N 464.422 5.254 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 914521601 ZKJAGUSGZUYIOQ-KAMYIIQDSA-N 481.571 5.491 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2nc3ccccc3n2C)cs1 915967772 OQPBAEZOLWQZSO-UHFFFAOYSA-N 458.469 5.179 30 20 JKED COc1cc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)ccc1OCC(=O)Nc1ccccc1Cl 915993747 YJBDCMOBKFQXAJ-IZZDOVSWSA-N 490.943 5.147 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2)c1 916206839 SURNEXXBKOFHMU-HSZRJFAPSA-N 477.561 5.303 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1C(F)(F)F 916210959 IXVXTKLTFAAZLD-LJQANCHMSA-N 491.466 5.598 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1cccc2ccccc12 916217410 MNUQWFDZQWSDGB-QFIPXVFZSA-N 498.004 5.109 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1c1ccccc1OC 916231745 ZHRRPCAOVAURHQ-QFIPXVFZSA-N 479.533 5.008 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCCc1ccc(Br)cc1 916898594 CSMKDJIGJMCYQY-KRWDZBQOSA-N 477.786 5.480 30 20 JKED N#C[C@@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccccc1Oc1ccccc1 916904389 BSMOGMNRBIMZBK-FQEVSTJZSA-N 469.566 6.149 30 20 JKED Cc1cc(SCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c(C)cc1Br 916904919 FVYHLUWQACLYJZ-ZDUSSCGKSA-N 451.773 5.159 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995675 CEZIWXOKTKDLJH-RHSMWYFYSA-N 477.417 5.221 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 917042236 DVFBBAVTNTXNDR-PGRDOPGGSA-N 496.311 6.190 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NN(Cc2ccccc2)c2ccccc2)cs1 917530367 HEZTVKUFJJVCIY-UHFFFAOYSA-N 460.990 6.522 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C(C)C)cc2)cc1 917612536 XHDOLWDTXSLDKS-UHFFFAOYSA-O 470.662 7.196 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)o1 917629686 WBMQVDZJQYKQHP-UHFFFAOYSA-N 495.491 5.006 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc3ccccc23)n1 917653810 WJVDEIJVGKKYGD-VWLOTQADSA-N 480.593 5.704 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O 917664899 VISUGGVOCAAQMW-FQEVSTJZSA-N 469.563 5.056 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)SC2=Nc2ccccc2)n1 917673257 WDSMHBRUEMTNQM-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccsc3)C2=O)cc1 917673309 BBIQLHMBTOIILC-NRFANRHFSA-N 463.584 5.111 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc2ccccc2c1 917701326 OULJRPIYMCYEIB-DEOSSOPVSA-N 475.614 5.034 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc2ccccc2c1 917701327 OULJRPIYMCYEIB-XMMPIXPASA-N 475.614 5.034 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 917701980 SGKAHRDEYLAIGZ-IQGLISFBSA-N 498.583 6.095 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)cc1Cl 920110744 GXECVRQLRUZMEH-OAQYLSRUSA-N 488.906 5.302 30 20 JKED CCc1nc2ccccc2n1N=Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 920372174 WJIOMCGJTYSRTB-UHFFFAOYSA-N 457.481 5.641 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807167 ZDMJAOJUUIURHM-HNNXBMFYSA-N 486.906 5.924 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1C 920893366 VMGYZYQCTXCYLO-IBGZPJMESA-N 478.980 5.110 30 20 JKED CCOc1ccc(O)c(C=Nc2ccc(OC)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1 920943209 SMNRWWATHRPAIG-UHFFFAOYSA-N 460.939 5.004 30 20 JKED CC#CC[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3ccccc23)C1)c1ccccc1 1778434096 GMLPZEJVNZCKCZ-VDUCXAMOSA-N 494.635 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1[nH]c3c(Cl)cccc3c1C)C2 1779510312 BZLPIYVBGIYLEZ-JIPXPUAJSA-N 486.056 5.250 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2-c2ccc(C)cc2)C1 1781058768 OCRPWZRDAMXYPM-SHQCIBLASA-N 482.571 5.001 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(O)c4cc3OC)CCC2)cc1 1786679185 MNRFTIOMCWUMJU-UHFFFAOYSA-N 476.598 5.221 30 20 JKED Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)c1 1787888932 QCWYHESHVJCBBH-UHFFFAOYSA-N 476.577 5.394 30 20 JKED COc1ccc([C@H](C)C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)cc1 1790256486 ONWJGIPODDYADI-IBGZPJMESA-N 453.542 5.118 30 20 JKED CCSc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790286753 FYOOUDQIQRFZHP-UHFFFAOYSA-N 456.571 5.127 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)cc1 1790705395 VTCFENZCRKIZIK-UHFFFAOYSA-N 462.553 5.005 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nccnc5c4)CCC3)cc2)c(Cl)c1 1790767904 PYWPXDLZWMVBDP-UHFFFAOYSA-N 481.943 5.216 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4C=CS[C@@H]43)cc2)CCC1)c1ccccc1 1791089345 PJJFBXRIESFRAN-LIONHTAISA-N 456.611 5.193 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)F)no3)CCC2)cc1)c1ccc(O)cc1 1791642765 RQIDBZFZLWWZJN-SFHVURJKSA-N 493.510 5.263 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4c(Cl)ccc(OC)c4F)cc3)CCC2)C1 1791665270 XNSYOWWWGWMKDZ-UHFFFAOYSA-N 456.945 5.131 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)c4ccccn4)cc3)CCC2)c1 1791944248 MSKWXCLXHSHROR-UXHICEINSA-N 452.558 5.260 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cnccc45)CCC3)cc2)c1 1792125347 WBZCHDWYASEXEV-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cc2)CCC1 1792165897 UPVIWKAYCXZBRB-OAQYLSRUSA-N 463.534 5.120 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC(F)(F)C4)CCC3)cc2)cc1C#N 1792169340 FJSIMSZZJKZICW-LJQANCHMSA-N 481.543 5.529 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)nc1 1792169472 MCDXGJWGLXDFDF-UHFFFAOYSA-N 496.611 5.429 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CC[C@@]3(F)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1792262470 FQPGGNWJSGBXJZ-MHZLTWQESA-N 499.627 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cc(F)cc(F)c1 1796500501 GDIPHQKNXADYGL-KOUNCHBCSA-N 467.560 5.271 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1)c1ccc(O)cc1 1798089604 VWBNQZXUZCXQDO-IITNATTFSA-N 490.600 5.195 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occ(Cl)c3c1)C2 1798420725 PYQVJLSSCUPHOK-ACDBMABISA-N 471.073 5.389 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)c(F)c2)c1 1799340725 VAWFTHVZNGMMJT-NEBIIKFJSA-N 481.571 5.685 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)c1 1800768260 YVSSRTDHRRZDGT-KOUNCHBCSA-N 463.537 5.332 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802829105 DSDNMBADWZFCQI-CYSDGLOUSA-N 466.025 5.313 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1803084117 NHZVNDOFHNOPJF-RCZVLFRGSA-N 457.574 5.224 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1803091364 ZZZDRMVEQGNNJV-NEKDWFFYSA-N 488.607 5.109 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)cc2C(F)(F)F)c1 1803893091 AXOCEXBDIPABTA-GAZPGATBSA-N 489.925 5.551 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3cccc(Br)c3F)CC2)C1 1805452121 PLNZQZWDAQIPHN-UHFFFAOYSA-N 491.445 5.130 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Br)c(OC)c3)CC2)C1 1805457585 HPWAHUOXJUNUCA-UHFFFAOYSA-N 489.454 5.071 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)Cc3ccc4ncccc4c3)C2)CC1 1806392385 ANDYGBZQYFJSLP-UHFFFAOYSA-N 489.736 5.060 30 20 JKED O=C(/C=C/c1ccco1)N1CCCC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)C1 1807143636 DIRAPRPQLHUAQN-FOCLMDBBSA-N 478.592 5.238 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1810494347 DVBUNGXMDDSHNY-REJYRFMASA-N 470.617 5.275 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1811420099 LBPAOMNMASXRLQ-UXCLWCCASA-N 493.051 5.533 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811538096 HZCRINVLCZYQMN-ZEQKJWHPSA-N 489.566 5.588 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c1 1811712352 CIGWITXWUUUBRS-FTGWLVSGSA-N 490.966 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812220209 NDLDISGLHBIVOB-ZEVJAHDQSA-N 473.642 5.693 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@@H]1c1cccnc1 1812590551 KUDHYFDJUQWEAV-AVHWCYKHSA-N 489.566 5.559 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1813864241 XLYRZTLHOYNBKR-RTGAMMJTSA-N 487.003 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)n[nH]1 1814714710 GRNALQDGWSEYGL-QNWVGRARSA-N 450.558 5.113 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)n[nH]2)c1 1816202500 CCOAGPRMEHVDRN-VWLOTQADSA-N 496.546 5.344 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1)C(F)(F)F 1817745329 CXLYQWKMZMWPHR-FQEVSTJZSA-N 483.494 5.205 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)n[nH]1 1817766802 XBNDHQMBQWCYAZ-OAQYLSRUSA-N 495.505 5.210 30 20 JKED C=CCC(CC=C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4sc(C)nc4c3)sc2C1 1818440886 KSUOAQYLXPKMOB-KRWDZBQOSA-N 466.632 5.055 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc[nH]c3c2)n[nH]1)c1ccc(O)cc1 1818488567 ABSFIKMSYWQRRF-QFQXNSOFSA-N 495.583 5.100 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1818798063 HSKPRNBUKZXDFQ-YVNCXZRQSA-N 494.642 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)[nH]n1 1819555623 QJRHPPSKKQYTIQ-DQEYMECFSA-N 491.680 5.449 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccncc3-c3ccccc3)n[nH]2)c1 1820007027 OYCAVBOAHADVSN-RUZDIDTESA-N 494.530 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091474 IMOYUUKEBGRVTL-OFNKIYASSA-N 497.599 6.225 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)ccc1F 1821119536 WUBLSOKSRKPERH-SBUREZEXSA-N 459.525 5.104 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(-c3cnco3)c2)n[nH]1 1821186274 PZFRAZYDCDGCKN-RBBKRZOGSA-N 459.550 5.139 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1C 1821277105 GPESBBLLNBPJCF-JOCHJYFZSA-N 491.979 5.180 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCC(F)(F)C3)[nH]n2)cc(C(F)(F)F)c1 1821308690 ZVJHOEUPTSUXTM-RDTXWAMCSA-N 495.452 5.041 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1821990409 QDCYQGKSZFSTJQ-INIZCTEOSA-N 474.405 5.085 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)[nH]n1 1822391140 AGQOXEMZWQWKOL-QFIPXVFZSA-N 493.405 5.435 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c1 1823206036 GDKGPIRMYBSPSR-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Br)cc4)CCC3)CC2)C1 1823704704 PUHSLDPSVIMMDR-XMMPIXPASA-N 499.493 5.457 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5oc(-c6ccccc6)cc5[nH]4)sc3C2)C1 1824225303 WRLXMUAIZVPFHH-QGZVFWFLSA-N 472.570 5.076 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3cccc4ccccc34)CC2)cc1 1824952500 CFMCDTFHRWDVAG-MHZLTWQESA-N 481.596 5.024 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)n1 1825386810 DBKUPXVBJSRMDB-QFIPXVFZSA-N 485.053 5.339 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827336476 ITPPHPBXNLFYSU-XMMPIXPASA-N 481.587 5.502 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827681334 IKVWMLLDWUCRHU-FSJHIGLHSA-N 492.685 5.547 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)c21 1828278292 TUEKSIJJIBTCEG-DEOSSOPVSA-N 489.019 5.250 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1828829152 YVKIJPWTGUDFID-LASATKFFSA-N 460.618 5.834 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)CC1 1828830544 PPAWYJAEIDDBJN-GXBVYBDKSA-N 491.720 5.504 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1828889434 RFZTUTHSGPIGAF-GOTSBHOMSA-N 495.491 5.119 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 1829066660 PROOXLMLKZWAQZ-AREMUKBSSA-N 477.649 5.469 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3c(C)cccc23)CC1 1829068595 GNZPDYODCBIESL-QFIPXVFZSA-N 450.627 5.097 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)c1 1829955603 YBMMPXJNLREFOM-RUZDIDTESA-N 464.009 5.078 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)c1 1829956476 IPKOVMAKJVHCAB-VWLOTQADSA-N 476.020 5.177 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(-c4nccs4)noc3c2)CC1 1831374277 ZFDDFCLTHNEDMA-PGRDOPGGSA-N 492.645 5.397 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1)C(F)(F)F 1831454090 XHKBQNYFPLSXJP-KRWDZBQOSA-N 481.317 5.484 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1831506574 JEMMMTIPTMQFQL-IDISGSTGSA-N 475.608 5.053 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1 1832091191 LKFSLGVIZDKUKY-UIOOFZCWSA-N 451.655 5.019 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c(Cl)c1 1832605174 DBTKEXOCJIPODP-CZQLGGELSA-N 485.049 5.382 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1Cl 1832661169 WFELTYYSGRYBFB-KBMIEXCESA-N 494.035 5.523 30 20 JKED O=C(CCC1CCC1)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1836797820 IRLBZLUTJKUBPX-UHFFFAOYSA-N 498.667 5.279 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)CC1 1838374789 HOXRXTSYPSZOJI-RUZDIDTESA-N 495.639 5.007 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CC2(CCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1846886239 HRAMVQURNUNWRI-UHFFFAOYSA-N 492.366 5.133 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(C)c2)c1C 10179258 OHOUDLRAUXRSNA-UHFFFAOYSA-O 491.420 5.372 30 20 JKED O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 10371804 SMOWGZLWPUCGTD-FYWRMAATSA-N 497.617 5.457 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)cs1 10778100 FHKOJKRHIXWTBF-ZDUSSCGKSA-N 490.368 5.517 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(CO)c2)c(C)s1 11077956 AVZRCMOVIMHCPY-UHFFFAOYSA-O 466.435 5.502 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(\C(=O)c1cc(C)n(C)c1C)[n+]1ccc(C(C)(C)C)cc1 11258064 HVURWUJXEDNBAW-UHFFFAOYSA-O 469.074 6.240 30 20 JKED C=CCn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nnc1-c1ccc(C(C)(C)C)cc1 14675569 IRZXTHAOCLNSCU-UHFFFAOYSA-N 466.010 5.611 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15247867 GBYOMYHDMKCOKM-UHFFFAOYSA-O 450.798 6.294 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)nnc1-c1cccnc1 18405593 YATPAKZPKSQQIC-UHFFFAOYSA-N 490.658 5.885 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc2cc(-c3ccccc3)sc2c1=O 18519620 CDWNSBZRMZSIKT-CQSZACIVSA-N 483.565 5.709 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccccc1OC 21752190 GLYDUPKVINQADI-UHFFFAOYSA-N 472.570 5.663 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccnc1 23283197 KRMWGCIZXZJIJA-MRXNPFEDSA-N 486.626 5.179 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c3cnn(C(C)C)c3n2)s1 23753925 PSSHQKWJQFORHX-UHFFFAOYSA-N 498.656 5.269 30 20 JKED CCOc1ccc([C@H](CNC(=O)c2ccccc2SCC#N)c2c[nH]c3ccccc23)cc1OC 24393829 WQYCKXMEZXKLOI-QFIPXVFZSA-N 485.609 5.753 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)nnc1-c1ccoc1C 24569837 HZGSJJNRMBKIIJ-UHFFFAOYSA-N 498.612 5.305 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(Nc2cccc(Br)c2)s1 24901064 IGKGOXQCIJBRKF-UHFFFAOYSA-N 460.382 5.037 30 20 JKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OC[C@@H](O)COc1ccc(C#N)cc1 30533343 UUGXXDDKMPDZSU-QHCPKHFHSA-N 452.510 5.091 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ncccc3OCCCC#N)c3cnn(C(C)C)c3n2)c(C)s1 72086258 LHRVXMVVTSAAFV-UHFFFAOYSA-N 474.590 5.687 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)c(C#N)c2)c1 105410592 HPSXZJFOUPSLEQ-UHFFFAOYSA-N 458.905 5.334 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 195557369 XJHCNXIBKVKZFY-HNNXBMFYSA-N 456.449 5.405 30 20 JKED COc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4F)n3)oc12 206339042 SACTUUYQCDAFGW-CLFYSBASSA-N 454.454 5.757 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cs1)c1ccc(F)cc1F 208899287 SJLCOFSWWKIGEC-XFFZJAGNSA-N 467.497 5.129 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 302978986 HJLXJUOAMRQPQF-UHFFFAOYSA-N 462.500 5.256 30 20 JKED COC(=O)c1occc1CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C)c1ccccn1 483561411 YVJAMZCUMMQGFK-IBGZPJMESA-N 481.508 5.529 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 484295611 ZOUAEPCMYXNGOF-UHFFFAOYSA-N 469.522 5.550 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 485122977 QDFMOTZXQDVODB-UHFFFAOYSA-N 464.440 5.290 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1ccc(OC)cc1 496546541 BGAHSVXWWSLNDW-UHFFFAOYSA-N 478.599 5.342 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 498114170 LSMXLWNKMBFROJ-UHFFFAOYSA-N 478.911 5.133 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 501137542 WVMSEOSKUDGLPW-UHFFFAOYSA-N 496.611 5.031 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2nc(-c3ccccc3)cs2)cc1OC 501349944 JZWSEZJIAHRGSZ-OAHLLOKOSA-N 459.409 5.997 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 501766485 ZKLVPAWENSLNNT-UHFFFAOYSA-N 455.564 6.276 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 506108357 UGBWRINCVFQEHE-HXUWFJFHSA-N 470.573 5.638 30 20 JKED N#Cc1c(F)cccc1Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 506799819 REUOBHQDKTYIKU-UHFFFAOYSA-N 460.925 5.481 30 20 JKED COCCS(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 507009860 XUWBEAFTAOKLEE-KRWDZBQOSA-N 495.409 5.027 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc(C)nc21 508980724 QHBIBAAKSZAHHJ-LJQANCHMSA-N 453.546 5.608 30 20 JKED CN(C(=O)NCCSCc1ccccc1C#N)[C@@H]1CCSc2ccc(Br)cc21 509367288 RRLNNPFBMHDLQT-LJQANCHMSA-N 476.465 5.432 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 510004805 HRDIYBGZXRIJJW-LADGPHEKSA-N 490.394 6.293 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)sc2C)cc1 511086602 RCRVRENVWNCQPL-UHFFFAOYSA-N 468.578 6.630 30 20 JKED N#Cc1cc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)ccc1OCC(F)(F)F 511620515 PKRGKPZEVPEMOI-QGZVFWFLSA-N 468.273 5.631 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc12 513655219 OZSQFFIBVHYSHG-KRWDZBQOSA-N 459.962 5.485 30 20 JKED N#C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(O)c2c3c(sc2n1)CCCC3 513668233 ZYAPCIKWLTXZKR-ZDUSSCGKSA-N 485.409 5.803 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 515420995 QJERPQZDLJRUDN-OAHLLOKOSA-N 468.340 5.201 30 20 JKED CN(CCCOc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 515797371 XOJVEBWUHCNUFF-UHFFFAOYSA-N 474.011 5.288 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)s1 517127275 APTWTKLTXUKODJ-UHFFFAOYSA-N 460.559 5.147 30 20 JKED CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CCN(C(=O)c2ccccc2)CC1 517128418 WKWDKWFCFDYXGV-UHFFFAOYSA-N 454.530 5.119 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 517465120 WXZBVMWBVONJKQ-LSDHHAIUSA-N 482.606 5.325 30 20 JKED COc1ccc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Br)c1OC 518656454 WPIJAWIYZFUBLY-AWEZNQCLSA-N 495.464 5.732 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)cc2)c1 520197182 YQHWJRXDKQMWLS-UHFFFAOYSA-N 454.530 5.298 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2SCCC#N)c(OC)c1 520804174 DYPOELCQFGEZJC-UHFFFAOYSA-N 485.609 6.429 30 20 JKED C=CCN(C(=O)c1ccc(N2CCOCC2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 520924636 KKZJPYOEFAZSNX-UHFFFAOYSA-N 474.413 5.786 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1C(F)(F)F 521841120 TWZMMOWEBFILJR-UHFFFAOYSA-N 454.290 6.030 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 524046688 GBTLBTFQDYIUOW-VWLOTQADSA-N 452.558 5.030 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 552274100 ZDZQRNLPFGFBNF-UHFFFAOYSA-N 454.530 5.194 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc(-c3ccccc3Cl)n2C)n(Cc2ccco2)c1C 590612799 SAHIMWZFNDABGD-UHFFFAOYSA-N 495.008 5.188 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc2ccccc12 603701063 RSUAVDHKGOJRME-SFHVURJKSA-N 450.498 5.023 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)c1C 603846252 IKSYAWJKQUAPST-HXUWFJFHSA-N 492.988 5.348 30 20 JKED COc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1Br 603921346 RZWZDUKSECBDBH-UHFFFAOYSA-N 451.320 5.355 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnnn3-c3ccccc3Cl)s2)c(C(F)(F)F)c1 604528314 YVGVYMJRMYNBFM-UHFFFAOYSA-N 488.882 5.111 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 609078941 FAYQAYKKCVUXMV-OFVILXPXSA-N 454.574 5.403 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1I 609089971 POAVBLXZKJACTO-LBPRGKRZSA-N 480.277 5.491 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 609209307 JRELEOLQWQIZGM-HUUCEWRRSA-N 457.374 5.945 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=O)c2cc3ccccc3n2CC#N)c1C(=O)N1CCCCC1 609215724 LDJQJOPUADCZBF-UHFFFAOYSA-N 482.609 6.080 30 20 JKED Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2F)cc1NC(=O)c1ccc(Br)cc1 609217392 DWXONSDHDRWKLG-UHFFFAOYSA-N 466.310 5.297 30 20 JKED O=C(NCCCc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620148472 CJGADXNEHFSBRT-KBPBESRZSA-N 450.345 5.410 30 20 JKED C=CCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1OC 620361904 HWEPNWDFDBOTOF-UHFFFAOYSA-N 484.474 6.092 30 20 JKED O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622150828 BJOPUXQXUOKDGY-VLXAULBPSA-N 474.392 5.874 30 20 JKED O=C(NCC1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 622540714 NWQNDRDKLNZWPE-UHFFFAOYSA-N 462.409 5.516 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)NC1CCCCCC1)C(C)C 639394322 LACPQLSPIPAIJR-QFIPXVFZSA-N 460.619 5.138 30 20 JKED C=CCN(C(=O)c1cnc2c(cnn2C(C)C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 642760109 APIYXYZSQCJYRM-UHFFFAOYSA-N 472.401 6.275 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cccc(C)c2)cn1 726114063 UOHXSNGILSZMBR-JOCHJYFZSA-N 496.036 5.334 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H]2CCc3cc(C)ccc32)cn1 726114510 XDLCCZGGJNMCFE-BJKOFHAPSA-N 487.629 5.168 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1F 726409833 CXPKDKGHEYZYHU-NYHFZMIOSA-N 496.539 5.090 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC(C)C)cc1 726415994 QFWGXYKJFAZCBN-WMZHIEFXSA-N 483.634 5.168 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3cccs3)C2=O)c1 726420239 HWRSZBIQTIODPJ-PRLFLVJASA-N 485.656 5.408 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCC(C)C)C2=O)c(OC)c1 726422258 UXYUXCAJZUVBGG-HOCQLMGASA-N 489.663 5.201 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCO3)cc1 726570856 MJFHTDOCPXPOHZ-UHFFFAOYSA-O 477.009 5.710 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3csc(-c4ccc5c(c4)OCO5)n3)cc2c1C 728440556 PZCIGOYUAMRDAR-PLNGDYQASA-N 464.524 5.140 30 20 JKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1OC(F)F 728667852 CYBBPEPMJKZJFU-HNNXBMFYSA-N 452.413 5.136 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C)n1Cc1ccc(F)cc1 728704354 GBTAXVAPCGYSQM-UHFFFAOYSA-N 492.348 5.124 30 20 JKED CN(C[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1)C(=O)OC(C)(C)C 728737101 JEGNMETVEYVIFK-WMZHIEFXSA-N 497.039 6.106 30 20 JKED N#Cc1ccc(N2CC[C@@H](OC(=O)c3ccccc3C(=O)c3ccc(Cl)c(Cl)c3)C2=O)cc1 729727740 SDMLMOXBXBWAKU-JOCHJYFZSA-N 479.319 5.058 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(C2CCC2)C1=O 730461537 FMNNVCXQDYUJJV-JOCHJYFZSA-N 451.592 5.331 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 730683715 JSUWYCASDXTEBB-MBSDFSHPSA-N 466.566 5.281 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1)c1nc2ccccc2o1 730689702 JXGUHRTZFUSVGO-ZHRRBRCNSA-N 465.278 5.726 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cocn2)c1Cl 730722158 OEPAWMGFWKAXQS-QGZVFWFLSA-N 489.384 5.450 30 20 JKED N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 730917225 KFRBNXZMQORRQC-LJQANCHMSA-N 485.565 5.110 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730942148 GNYGWBUFOKLNJC-YADARESESA-N 472.614 5.927 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 730995028 NKBJTCWRYLPMAP-UHFFFAOYSA-N 494.516 5.530 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1ccccn1 731310938 SVQBIRJULDVAER-KSFYIVLOSA-N 495.004 5.471 30 20 JKED COc1cc([C@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)cc(OC)c1OC 732037856 FCRNOUOIIPFTGR-HSZRJFAPSA-N 496.560 5.180 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 743524394 JRLFGGILNGWPTE-CYFREDJKSA-N 490.604 5.867 30 20 JKED Cc1cccn2cc(COc3ccc(C=Nn4c(S)nnc4-c4ccccc4Cl)cc3)nc12 744998892 GUVXGEAIGFVGME-UHFFFAOYSA-N 474.977 5.305 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(SCc2ccc(OC)cc2)sc1=S 745162741 UUFFGNCOTQQGJG-UHFFFAOYSA-N 454.646 5.492 30 20 JKED COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 746658222 DHBNLABKBVNAND-KBMIEXCESA-N 481.518 6.602 30 20 JKED COc1ccc(-c2nc(SCC(=O)c3cc(C)n([C@H](C)c4ccccc4)c3C)nc(O)c2C#N)cc1 824952701 DHVHNHOGHLUQKV-GOSISDBHSA-N 498.608 5.732 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N([C@@H](C)c2ccccn2)C1=O 837404303 ZPDGMAXZWGBTFT-CYFREDJKSA-N 488.613 5.429 30 20 JKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@H](F)c1ccc(C(F)(F)F)cc1 857502761 SNSFWDIWKWBCEN-RTBURBONSA-N 463.393 6.019 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 900730601 MPEZDNKMWWFSBE-UHFFFAOYSA-N 493.907 5.060 30 20 JKED N#CCOc1ccc(Cc2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)cc1 904669502 ZVGLVFHGNDWDIZ-UHFFFAOYSA-N 486.837 6.089 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2SCc2c(C)noc2C)c1 912497532 JHMJWURPRVWRQJ-NRFANRHFSA-N 491.613 5.693 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccco2)ccc1Cl 914495978 OVDDOAGISGRMGZ-INIZCTEOSA-N 476.957 5.287 30 20 JKED COC(=O)c1sc2ncc(C(C)=NNc3nc(C(F)(F)F)nc4ccccc34)cc2c1C 914772897 FWRNVUVEALNZEZ-UHFFFAOYSA-N 459.453 5.189 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3cc(OC)c(OC)cc3Br)cc2c1C 914773483 JAZTUVJRIBXYQB-WAYWQWQTSA-N 476.348 5.067 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(NC(=O)Cc4cccs4)n3)n2)cc1 915100047 KVIINKNYWRFUBR-GOSISDBHSA-N 478.624 5.237 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)cc1 915104457 APJUZBZSLOVZRT-AEFFLSMTSA-N 471.504 5.352 30 20 JKED CCCCCCCCc1nnc(NC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)s1 915311820 SLHZSCIIVGCZKJ-UHFFFAOYSA-N 487.626 5.052 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 916051547 QLEYEEZUMPOZBI-XMMPIXPASA-N 489.501 5.740 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 916210895 ICLIVVBRKRRBPF-QGZVFWFLSA-N 484.380 5.129 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2C(F)(F)F)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 916229892 QZLCTILXITWUFF-AWEZNQCLSA-N 496.725 5.914 30 20 JKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2csc(-c3ccc(Cl)cc3)n2)cc1 916333907 XLJKDRUHXFCHSG-UHFFFAOYSA-N 463.922 5.494 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)ccc1OC(=O)c1ccc(F)cc1 916344196 DZRRTOXPAJDBEZ-UHFFFAOYSA-N 482.924 5.136 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)ccc1OCc1c(F)cccc1Cl 916367344 ZKNJPYAMXGYEHT-LJQANCHMSA-N 476.961 5.071 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)Nc1cccc(OCC#N)c1 916409769 NXEUZNQHBSNNBV-OAHLLOKOSA-N 476.583 5.227 30 20 JKED COc1ccc(OC)c2c1CN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)c(Cl)c1)C[C@@H]2O 916684256 UZWKIJJIZJTOQB-UGKGYDQZSA-N 477.948 5.094 30 20 JKED N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 916848821 IMKCLDASZMBOIG-DEOSSOPVSA-N 473.492 5.415 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 916886900 LCPSPAXASXMHIO-LJQANCHMSA-N 491.523 5.220 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 916910912 KMTSWGDMKDOEBY-QGZVFWFLSA-N 497.780 5.128 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916926149 SWKYKCKFBOTABX-XITLMJRVSA-N 470.369 5.484 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916937668 FQDHYODGAJBHIQ-IINYFYTJSA-N 455.736 5.070 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)n2)cc1 916974807 RFKMMJXCDFRKJW-GOSISDBHSA-N 482.392 6.889 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1OC 917026174 XBFDQKLFGYHGTK-SFHVURJKSA-N 461.568 5.370 30 20 JKED Cc1csc(SCc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)oc3ccccc23)n1 917041846 YSRNKASTCBLRBS-HNNXBMFYSA-N 494.548 6.725 30 20 JKED COc1cc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)cc(Br)c1OC(F)F 917144214 BODPRCQYLLSLJL-DHDCSXOGSA-N 483.334 5.568 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3NC(=O)c3ccccc3)c2)cc1 917343766 FLVNOTOSXBLXBV-UHFFFAOYSA-N 461.521 5.836 30 20 JKED Cc1c(N=Cc2ccccc2O)cccc1NC(=O)c1ccccc1I 917558384 NULLZXZYJVWWQO-UHFFFAOYSA-N 456.283 5.308 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cs1 917559916 FDRLDSABRQUVBF-GHXNOFRVSA-N 492.988 5.690 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cs1 917561770 NBXCCYUWHMFHCZ-RUDMXATFSA-N 469.752 6.823 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cs1 917563241 NPNGFKQRXGYFDO-DTQAZKPQSA-N 488.996 6.956 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCN3CCC[C@@H]3C2)C1=O 917674667 PCLOTFRUBAPCTN-VIZSFHNOSA-N 497.064 5.236 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 917700017 GNQXABSFEFKTFN-CJAUYULYSA-N 498.583 6.095 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)n1 920327531 IPWDTCINNVUYFZ-LJQANCHMSA-N 461.518 5.416 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2cc(C)on2)C1=O 920353688 POCUOWXQXGAXCZ-HSZRJFAPSA-N 492.601 5.241 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 920635964 PSXVUSADOHEHQM-UHFFFAOYSA-N 488.849 5.605 30 20 JKED COc1ccc(O)c(C=Nc2cccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)c1 920942563 KKGSODBEGOVKPX-UHFFFAOYSA-N 464.515 5.267 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)cc2)cc1 921010036 DSTACRXRXGDXPJ-UHFFFAOYSA-N 489.443 5.286 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1478417415 UDSKICJZPXPVDC-SFHVURJKSA-N 451.530 5.167 30 20 JKED CCCc1c(NC(=O)c2cccc3nc(O)n(CC(C)(C)C)c23)cnn1-c1cccc(C#N)c1 1638924588 MAGSILRESAUECW-UHFFFAOYSA-N 456.550 5.050 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4cccn4)cc3Cl)CCC2)cc1 1786367402 MWITTYDCNIDZPK-UHFFFAOYSA-N 493.007 5.256 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)c1 1788362159 KGGGWQQCHKAGCY-ZCTHSVRISA-N 492.579 5.517 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)C[C@@H]21 1788735091 MMDCRLBWYQIVTK-GVUKDKGQSA-N 478.608 5.078 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1789458006 JUEWKVHTAGFZAE-GOTSBHOMSA-N 493.648 5.146 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ncsc5[nH]4)cc3)CCC2)c1 1789670075 XJTMFYWIJPPARC-MRXNPFEDSA-N 469.570 5.313 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CC5(CCC5)C4)cc3)CCC2)c(C(F)(F)F)n1 1792038952 FKWCUKQTBHGBNE-UHFFFAOYSA-N 482.506 5.300 30 20 JKED C=C(Oc1ccccc1O)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123937 UPGKGXXZVWWRKD-LJQANCHMSA-N 481.552 5.360 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OC)ccc1NC(=O)OC(C)(C)C)C2 1792573536 XTMWBPGJUOBUKZ-ACDBMABISA-N 499.652 5.286 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCc2ccc(C(F)(F)F)cc2)c1 1793513100 XGSKDJKRQRRCRW-QEIWAGNOSA-N 497.561 5.171 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccc(Cl)cc3)no2)c1 1796488110 BIGUVDIYNCGXIA-YWQVJIEVSA-N 488.975 5.188 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc[nH]c3cc2Cl)cc1C#N 1797613367 GKGZFKGXBRBCLQ-WKCHPHFGSA-N 490.991 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)c1ccccc1n2CC 1798600936 ZWBQIBFUTDOITQ-IEMBSSLISA-N 487.644 5.010 30 20 JKED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c1 1799287250 CVJCHDPQRDACEG-BJWYYQGGSA-N 492.790 5.093 30 20 JKED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCc1ccccc1)C2 1800109988 DCBHBMNBOAIPLW-OOSCYNTBSA-N 482.665 5.107 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@H]42)C3)cc(C(F)(F)F)c1 1800740644 DJSSHBAFGOMZDL-FXPVUZBFSA-N 487.566 5.435 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Br)ccc1Cl 1801592694 DOZYQBLIJDMTJI-IYWMVGAKSA-N 479.846 5.052 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3Oc3ccccc3)[C@H]2c2cccnc2)C1 1802415300 FNVHXXTYDUZPDV-CUNXSJBXSA-N 467.569 5.160 30 20 JKED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1802691298 LZCYSAWBLLEJGH-NBGIEHNGSA-N 497.624 5.161 30 20 JKED CCCCCc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)cc1 1802995856 PPVINKHHNVZSPH-CMLVZENQSA-N 495.627 5.047 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(F)cc2Cl)[C@H]1c1cccnc1 1804060048 JGZCARZAHNBKSN-GBXCKJPGSA-N 472.004 5.115 30 20 JKED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccc(C(F)(F)F)cc4)cc2)C3)CCC1 1804116409 BWKYISZYMDLLFH-WKCHPHFGSA-N 497.517 5.443 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3c[nH]c4ccc(OC)cc34)CC2)C1 1804866758 MSLSTJFQFUJJIZ-DHZHZOJOSA-N 477.649 5.413 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)[C@@H](C)c4ccc(Cl)cc4)C3)CC2)c1 1805198488 MXEIZPVXPLLLFQ-FQEVSTJZSA-N 464.009 5.169 30 20 JKED N#Cc1cc(C(=O)N2CC[C@@H](CNC(=O)/C=C/C3CCCC3)[C@@H]2c2cccnc2)cc(C(F)(F)F)c1 1808494487 RCNCBOZKXMMGML-CNLMAQTBSA-N 496.533 5.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1810174113 LNJZTWGWFKXJOE-ZYKOEDHHSA-N 496.995 5.040 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1810175300 VCAZFUKGIUCHNY-WMTXJRDZSA-N 496.449 5.241 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810241237 CUCAJPHZRJRHPM-XBBJSIGRSA-N 477.674 5.694 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1810271033 CISGQYZQLIOGHA-DHLKQENFSA-N 482.100 5.106 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCCC(F)(F)F)[C@H]1c1cccnc1)c1ccccc1 1810440219 HCBUGPVRXLPVNW-LSQMVHIFSA-N 485.550 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3cnco3)c2)[C@@H]1c1cccnc1 1811382419 NUIUMETVZRWZGD-ZCYQVOJMSA-N 472.589 5.049 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1812521796 AVMMWWZSZYMETQ-SQJMNOBHSA-N 466.025 5.219 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1812782328 APQKYYVCUJKBJK-AMOMVJEUSA-N 486.660 5.198 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)[nH]n1 1814443165 ONPZMLPEOGFFKS-OUFMZXHOSA-N 464.635 5.282 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)[nH]n1 1814827522 RJAQXBVSAWAQGN-HSZRJFAPSA-N 494.546 5.152 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1815094571 UMGGBPPYFMZHIB-VZIBSNAFSA-N 494.642 5.083 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815242798 DOKFLKFFVHQSQK-XMSQKQJNSA-N 487.025 5.583 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)cc2C(F)(F)F)n[nH]1 1815546111 HHVXIJLDKRCKCG-IFXJQAMLSA-N 466.479 5.015 30 20 JKED CCC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1)n1cccc1 1818062553 GTSGISNQBBFSTA-WUMKDDEVSA-N 472.593 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)noc2-c2ccccc2)n[nH]1 1818145022 OIOOQDNEDKKLAL-IFMALSPDSA-N 473.577 5.447 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1)NC(=O)OC(C)(C)C 1818810509 VJGWOXZTRRXWAQ-SJBKTWHCSA-N 499.656 5.008 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)[C@@H](S)C(C)C)[nH]n3)cc2n1 1818970200 GVPYOWLULTWAGG-IRLDBZIGSA-N 486.041 5.180 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819026332 CUCPBNOVHUQJIU-IBGZPJMESA-N 489.626 5.496 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccccc3F)CC2)[nH]n1 1819310978 GVYAQPSQIGTETB-GCJKJVERSA-N 450.558 5.041 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)[nH]n1)c1ccccc1 1819518963 JLOSYFFRKHNTQD-SIKLNZKXSA-N 493.970 5.100 30 20 JKED CCOc1c(F)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1Cl 1821212609 CWPBFPHBOZPNRV-NRFANRHFSA-N 495.942 5.092 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4cc[nH]n4)cc3)n[nH]2)c1 1821233715 SHNFQJOSJHFVHZ-AVRWGWEMSA-N 493.571 5.047 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)s1 1821309046 UTICJBWDDRBCHQ-GOSISDBHSA-N 487.507 5.290 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)c(F)c2)[nH]n1 1821923981 ULDWASRSSHHIJQ-KDOFPFPSSA-N 482.478 5.008 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1821924449 BYTSVZRGLFSAJW-YCRPNKLZSA-N 451.958 5.129 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)[nH]n1 1821983784 KJFRNHRTCGBBQC-GJZUVCINSA-N 496.558 5.328 30 20 JKED CCCCCc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)ON=C(C)C)[nH]n2)cc1 1822284809 DPWHTBCRLZZLFB-RDPSFJRHSA-N 481.641 5.178 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)[nH]n1 1822383137 XGMOCVHZSHGAIH-NHYWBVRUSA-N 493.452 5.011 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1)NC(=O)OC(C)(C)C 1822983139 SJGPEBBNVURXCR-BKCZMFJTSA-N 499.656 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccs3)[nH]n2)c1 1823212289 SIYFZIJDDLKJIO-HTAPYJJXSA-N 461.591 5.037 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823213116 RFKCIFVJUMYOQW-UZUQRXQVSA-N 459.525 5.104 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1823423481 FHABZHXZTUGOGI-OAQYLSRUSA-N 471.586 5.339 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)C1 1823701704 NXXXZMYGRBRSER-MHZLTWQESA-N 478.583 5.831 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2ccc3ccc([N+](=O)[O-])cc32)CC1 1823751475 VONDBHNLLYPEPG-XMMPIXPASA-N 494.636 5.162 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1823755307 SHZLHTIYPJSPDY-DEOSSOPVSA-N 462.638 5.302 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSc3ccc(F)cc3F)CC2)cc1 1824445172 KDLIBEZFYKXWBA-XMMPIXPASA-N 497.611 5.056 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1824502017 QMEUTLAVYKJJSA-SANMLTNESA-N 498.067 5.413 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)ccn1 1825429773 ASOHDEDUDLJCRN-SANMLTNESA-N 486.660 5.117 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(C)(C)C)c2)CC1 1825432664 IHXNIHSXLPEIDE-ZEQRLZLVSA-N 451.655 5.381 30 20 JKED Cc1ncsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1825995740 WPJPPVUMEFZKEE-HHHXNRCGSA-N 497.664 5.398 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc(C)cc3)CC2)C1 1827333831 GILQGTDBVNRILC-SANMLTNESA-N 457.618 5.257 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccn4c3)CC2)c(Cl)c1 1827405507 XOGLOLZLIVSOMM-QFIPXVFZSA-N 481.021 5.073 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1 1828827261 TZPYMECGOBHLMM-UYAOXDASSA-N 464.437 5.390 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1 1828906476 OCLCWQRNWHBTQX-QHCPKHFHSA-N 462.726 5.330 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)C)no2)CC1)c1ccccc1 1829031598 BGRKYDMUDJTIBQ-AOYPEHQESA-N 475.633 5.229 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3cn2)CC1)c1ccccc1 1829035261 NZRCKXZXZUMHML-BDYUSTAISA-N 483.612 5.258 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3c(O)cccc23)CC1 1829068645 JEKFTYIEOZTWJR-QHCPKHFHSA-N 463.622 5.166 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622427 GOPKKZRPFGUVQA-YKSBVNFPSA-N 475.658 5.158 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)CC1 1829694500 BJEWKFPLSXSSCJ-RUZDIDTESA-N 499.026 5.964 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)c1 1829781354 MPHQJEYWHFCXBR-HXUWFJFHSA-N 493.822 5.394 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829999600 ZGLJDDUPMKUGED-DEOSSOPVSA-N 483.534 5.433 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2)CC1 1830001714 HZPJPJLPHPVRTL-DQEYMECFSA-N 497.680 5.088 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)c1 1830355332 DVMGPPNLBCXHCQ-MYHFBWBUSA-N 451.586 5.067 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830536419 IDFSGIDWSJYJGQ-HXUWFJFHSA-N 489.003 5.511 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1C 1830673781 ZEDCQBWTSABEIZ-ZUTVHTERSA-N 494.657 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)c1 1830769233 KXUZHQLKHSPKIB-AREMUKBSSA-N 490.554 5.173 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC#N)CC2)c1 1830777047 DSPWIYKUDLBNOY-JOCHJYFZSA-N 474.443 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830980401 NUTWEYAWDSHMAD-SHQCIBLASA-N 499.655 6.430 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)CC1 1831229422 FVUPYOLVFNOXSP-ATIYNZHBSA-N 452.639 5.232 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831301641 DJAAILCYUNORAZ-RUZDIDTESA-N 487.084 5.364 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1831737671 KFZPJTVNUCJWEX-RPBOFIJWSA-N 482.665 5.025 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](C#CC)c2ccc(O)cc2)CC1 1831926567 VDZLYJFKPZOHAT-KZQOYIJHSA-N 476.661 5.277 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(CCC)cc3)CC2)CC1 1838373899 SCBXNHFMGWJRAM-AREMUKBSSA-N 452.639 5.020 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)CC1 1838681470 AQDRBWYRCVQOPP-UHFFFAOYSA-N 472.629 5.078 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 1845341363 UNOOANRQNJZNRB-UHFFFAOYSA-N 492.366 5.133 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OC(F)F)cc2)c1 10172855 UCEJUPJNDVQOFO-UHFFFAOYSA-O 453.534 5.424 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113359 REIHTEXFTAWDLU-UHFFFAOYSA-O 499.672 7.200 30 20 JKED N#Cc1c(NC(=O)c2cccc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2)sc2c1CCCC2 13969802 AUULENVMZYFAFX-UHFFFAOYSA-N 486.622 5.815 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(CC)cc2)=C(/S)Nc2cccc(Br)c2)cc1 15247758 XIKOZOBWWYLILY-UHFFFAOYSA-O 482.467 6.302 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)c1C 28695965 PIGFQZOEDAGAFO-UHFFFAOYSA-O 466.602 5.609 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 32503693 IEQPJSZGTFHCFA-UHFFFAOYSA-N 461.008 5.339 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)s2)cc1OC 195664175 VFPMZXCZUBHIQO-AWEZNQCLSA-N 469.975 5.889 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)o1 303189940 WGBBGXUGGWUNIM-UHFFFAOYSA-N 463.921 5.262 30 20 JKED C=CCN(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc(C(=O)OCC)cs1 409877063 WEWQKZVYRPBNDW-UHFFFAOYSA-N 469.510 5.100 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4ccccc4)on3)s2)c(C(F)(F)F)c1 487288053 GKFVYUFIKVVYFO-UHFFFAOYSA-N 454.433 5.532 30 20 JKED Cc1nnc(SCc2c(C(=O)N(CC(C)C)c3ccc(C#N)cc3)oc3ccccc23)s1 499409772 VZEURQLRTWCJIL-UHFFFAOYSA-N 462.600 6.060 30 20 JKED N#CCCN(Cc1ccco1)C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 502537488 KHQFHZIAASXBOD-UHFFFAOYSA-N 453.329 5.546 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1 508141730 JBDOCBWRDCRYAJ-UHFFFAOYSA-N 485.613 5.807 30 20 JKED CCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1nnc2ccccn12 508289231 ODQDJJAASFSMPR-FQEVSTJZSA-N 456.506 5.065 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CCOCC2)cc1 510643999 HRGGNSUCTMKRHK-UHFFFAOYSA-N 457.530 5.229 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cn2cc(Br)ccc2n1 510694257 WSEBEBBZQWFCOZ-UHFFFAOYSA-N 476.334 5.391 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1-c1cccnc1 511100904 YAKKUWOWIAEBKB-GOSISDBHSA-N 462.406 5.588 30 20 JKED COc1ccc2nc(N(Cc3ccc(Cl)cc3Cl)C(=O)CSCC#N)sc2c1 512185881 SHUXYNAZCGUHCL-UHFFFAOYSA-N 452.388 5.402 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514650175 SFCDIDHZHDYTRJ-UHFFFAOYSA-N 480.546 5.743 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 514723313 BXHUSRSLCMTAHX-SANMLTNESA-N 489.689 5.581 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)n1 514931479 ZEDZRSJQOZSJCD-JOCHJYFZSA-N 461.543 5.001 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc2)cc1 515160879 MZMJCLKPKAHNPS-UHFFFAOYSA-N 473.579 5.216 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)c1 515542191 HWBMXWQMJCPAMV-QHCPKHFHSA-N 483.549 5.326 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 516478462 WLIOVWHANGIAOE-UHFFFAOYSA-N 469.328 5.040 30 20 JKED C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 517444169 PULZKNJAXDIBON-CQSZACIVSA-N 476.517 5.156 30 20 JKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3SC[C@@H](C)C#N)[C@H](c3ccco3)C2)cc1 517455635 WUCDZJNVQWPNGF-CVDCTZTESA-N 458.587 5.630 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c(C)c2c1 517693594 ODQQXEWUSQUOFY-UHFFFAOYSA-N 452.510 6.488 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 519433846 FQHQHQUZHTWSEA-UHFFFAOYSA-N 492.473 5.916 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 520187540 RUZCNADZBHMJKN-QGZVFWFLSA-N 451.573 5.134 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 520448217 UAPVYSLEYICVQD-UHFFFAOYSA-N 496.489 5.427 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 520854180 FRISZUMRIUHRKF-IRXDYDNUSA-N 473.440 5.349 30 20 JKED N#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc(Cl)c1Cl 520889955 YFWXPUSCFWJTGO-IBGZPJMESA-N 494.787 5.442 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c2c[nH]c3ccccc23)cc1 520937884 KSIVSPCEMBESBB-AUSIDOKSSA-N 484.625 6.524 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cc1C 521304773 MXMBNMCOXCNRNC-UHFFFAOYSA-N 465.601 5.890 30 20 JKED Cc1c(NC(=O)c2occc2COc2cccc(C#N)c2)cccc1C(=O)Nc1ccccc1 523288266 HPYXBVZYURXBKT-UHFFFAOYSA-N 451.482 5.543 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)cc2Cl)c1 524113908 IPMDUHBILBWMGJ-UHFFFAOYSA-N 489.940 5.310 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)c1 524426283 YAFGCNHSAIKIIT-LJQANCHMSA-N 475.976 5.566 30 20 JKED COc1cc(OC)c2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[nH]c2c1OC 524533454 NMPFGKJGAIVJTN-UHFFFAOYSA-N 475.476 5.036 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(OC)c(OC)cc1Br 589219951 WKCSFMXCCQQITA-UHFFFAOYSA-N 459.793 5.079 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 603600874 JCAHDCYLJGEIKC-UHFFFAOYSA-N 487.519 5.065 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC1(c2ccccc2)CCCCC1 603720993 BLCQBXQSEHQMFK-UHFFFAOYSA-N 468.557 5.011 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc4ccccc4c3)o2)c1 603726524 OEVITENDGZATAH-LJQANCHMSA-N 456.571 5.934 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)c2C#N)C1 603819871 PFUCAJDOIVQDPX-LBPRGKRZSA-N 471.069 5.039 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(OCc2ccccn2)c1 603829295 PYJPEURHBHRNAN-LJQANCHMSA-N 465.513 5.602 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cc4)CC3)c2c1 604464155 CASIWRGCNQWICA-UHFFFAOYSA-N 492.535 5.095 30 20 JKED CC(C)C[C@@H](C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 608822410 IWKQOKBONHKILS-HNNXBMFYSA-N 454.427 5.054 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)cc1 608855581 RDDMJMYUOQTRJH-HXUWFJFHSA-N 484.021 5.153 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 609060740 CTNDWCFYSZJNTQ-UHFFFAOYSA-N 461.587 6.053 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(CN2CCCC2)c1 609078292 ICRKQIZYYQHAOD-UHFFFAOYSA-N 454.574 5.363 30 20 JKED CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 609080027 ROCDUOIBJDKSAO-GHTZIAJQSA-N 483.012 5.339 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)oc3ccccc23)s1 609202691 RRYHYKXNYCUPRV-UHFFFAOYSA-N 498.589 6.801 30 20 JKED COc1cc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC(F)F 609208721 CCJMSAPPHTTYAS-UHFFFAOYSA-N 453.445 5.624 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 609413910 DQTYSEIUQSPZIW-UHFFFAOYSA-N 459.493 5.717 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 609427723 GHEOFLYANVENLV-IBGZPJMESA-N 479.627 5.548 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609435233 ZRKUSOSQBPAYHA-ROUUACIJSA-N 476.577 6.355 30 20 JKED COc1cc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCc1ccc(F)cc1 642196192 QVSRUFQIQIUVKJ-IAGOWNOFSA-N 479.436 6.412 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cccc(C)c2)cn1 726114064 UOHXSNGILSZMBR-QFIPXVFZSA-N 496.036 5.334 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2csc3ccccc23)cn1 726116935 NYNMLRNSAQHKIC-QFIPXVFZSA-N 489.626 5.278 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2Cc3ccccc3-c3ccccc3C2)c1=S 726185374 NTPRDLHPMKLGBQ-UHFFFAOYSA-N 454.599 5.916 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 726403109 YLKPEYXGAHNWQW-MBSDFSHPSA-N 461.587 5.225 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 726421420 QJGOJBHKRNIQFB-YKKHSHCJSA-N 482.606 5.433 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2ccc3c(c2)CCCC3)c1 726573998 WTOIRDQRUZEXRH-UHFFFAOYSA-O 453.631 6.083 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2Cl)cn1 726889132 PTFZSQUOOYMKAC-FQEVSTJZSA-N 498.967 5.043 30 20 JKED C=CCn1c(-c2ccncc2)nn(CNC2(c3ccc(Br)cc3)CCCC2)c1=S 727167374 ZKYVJGNFWDKHFY-UHFFFAOYSA-N 470.440 5.441 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)CC1 727559534 AECWCLYYQWVHJM-UHFFFAOYSA-N 495.623 5.394 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)cs1 727780066 GIMKWJFVGTWSOM-SDQBBNPISA-N 491.769 6.205 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CC2)ccc1Cl 728533429 JRKOVVLDYQNRAB-NRFANRHFSA-N 479.429 5.389 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)c(Cl)c1 728777811 PEJQBVVAALHGHY-LJQANCHMSA-N 476.936 5.272 30 20 JKED Cc1ccccc1CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 729559654 SBNBJEDCHNXNNW-PBBVDAKRSA-N 490.629 5.042 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCc3c(C)noc3C)C2=O)c1 730442275 TVBSDYWGCYANKG-QHCPKHFHSA-N 494.592 5.250 30 20 JKED COc1ccccc1Nc1nc(Cl)c(C=Nn2c(S)nnc2-c2ccc(F)cc2)s1 730549104 RZKPLMWVCBAZQQ-UHFFFAOYSA-N 460.947 5.117 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730719078 WRRJRIDCPHWBRG-NRFANRHFSA-N 498.992 5.060 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 730937142 WNOKEQXILKBMAV-UHFFFAOYSA-N 497.020 5.402 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](C)c2cccnc2)C1=O 730944598 YMJKCZOZSLJYBA-AOMKIAJQSA-N 495.004 5.465 30 20 JKED Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 731067339 QEJBDJXSHUYZOS-LJQANCHMSA-N 487.581 5.295 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 731114388 QPPLJYYDDBKHJE-LJQANCHMSA-N 459.571 5.617 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1 731306630 WPFVLSKFXRVZFR-OAQYLSRUSA-N 481.599 5.013 30 20 JKED CCOc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)cc1 731307415 RTWHYHCYEAJLTO-QHCPKHFHSA-N 493.560 5.091 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310408 HQLSOIXOEVLWGE-YCRPNKLZSA-N 483.590 5.184 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731313167 UBRAPNLCVBFXDP-CJAUYULYSA-N 496.592 5.662 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cccs2)c1 743514613 QAIZYMPJORBJDZ-OAQYLSRUSA-N 467.591 5.034 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c1 743525634 JHSRUUGIVUNHQJ-SFHVURJKSA-N 476.371 5.019 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1 746973479 UTTKATWAXZWHGY-IBGZPJMESA-N 489.475 5.339 30 20 JKED COc1ccccc1/C=C(\C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1 789851936 BTOLYADXMDIBGJ-MOHJPFBDSA-N 464.521 5.530 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Nc2ccc(SC(F)F)cc2)s1 811930614 XNHSWKBMKJYFNF-UHFFFAOYSA-N 483.978 5.852 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)c3cnn(C(C)C)c3n2)cc1 825891859 VLWYJHDHXSKFRK-NRFANRHFSA-N 495.583 5.480 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1ccco1 838487518 ZXQVRHGOVQAYQX-OAQYLSRUSA-N 483.977 5.411 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cs1 914699365 CJDAIHDIBXHPET-UHFFFAOYSA-N 496.536 5.184 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc(F)c3)C2=O)c(OC)c1 914772836 PUBOMHSSIRQSNI-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101705 JZMBRCGQGIVOAQ-UNMCSNQZSA-N 491.016 5.505 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1nccn1Cc1ccccc1 915121037 YWPURUOLBWXIIC-UHFFFAOYSA-N 470.573 5.576 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCCC2)cc1 915781429 UEDQYFDNPMTWJW-VWLOTQADSA-N 455.533 5.048 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2cccc(OCc3ccccn3)c2)cc1 915946373 HSAQOUMFUGVDOR-UHFFFAOYSA-N 473.602 5.300 30 20 JKED COc1cc(C(=O)/C=C\c2cc(Br)cc(Br)c2OC)cc(OC)c1OC 916137850 GIHVDUWFARIWOE-WAYWQWQTSA-N 486.156 5.142 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)cc1 916206049 VGJXVUWVZQRZTE-HSZRJFAPSA-N 475.545 5.189 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(C)c1 916207563 YZNQJLQLSJBNPO-QHCPKHFHSA-N 461.587 5.145 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2C(F)(F)F)c1)c1ccc(Cl)cc1Cl 916304158 ZRDFUKMNMSRUDX-UHFFFAOYSA-N 460.268 5.027 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916910004 PAVYDVLVLAZQTO-INIZCTEOSA-N 483.380 5.723 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc(-c3ccco3)nc21 916916182 PLLJYQNFYAUNIH-FQEVSTJZSA-N 463.497 5.387 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 916927984 GBQSIUUBEVKMNL-OAHLLOKOSA-N 480.373 6.001 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976960 YJYXXBQCWZTFIK-FPOVZHCZSA-N 463.990 5.121 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)[C@H](Sc1ccccc1)c1ccccc1 917507514 YWGNBOIDCUJPOL-CJFMBICVSA-N 460.555 5.233 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(C)cc4)n3)cc2c1C 917560484 OJMCXXWFNIIWBG-JXMROGBWSA-N 491.594 5.737 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cccc(OC(C)C)c2)C1=O 917653207 OAZYLDMLEGRSKN-LJQANCHMSA-N 493.601 5.056 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@H]1c1cccc(C#N)c1 917975416 RNBJINOQAPQMAP-SANMLTNESA-N 484.600 5.917 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1 918610790 STLQSDQFJGFVIY-LVWGJNHUSA-N 485.656 5.106 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3sc(C)nc3-c3cccs3)n2)cc1 920138863 LJMKVDNWWRGUKV-INIZCTEOSA-N 451.598 5.731 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2c(C)cccc2C)no1 920352771 SWYNBSQHFFRJSI-HXUWFJFHSA-N 484.528 5.039 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN=C(c2ccccc2)c2ccccc2)cs1 920357310 DLARHKDREJYJKE-UHFFFAOYSA-N 492.526 6.718 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C[C@H]2CCCO[C@@H]2c2ccccc2)C1=O)NC1CC1 920357489 UUGDYWQEOBWRDV-RVSNTGDXSA-N 498.048 5.108 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 920869990 RAZMASQTTQYZRP-JXFKEZNVSA-N 493.551 5.257 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1OC 920871685 XIGUIEKJGHEWGI-UUOWRZLLSA-N 491.613 5.091 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 920982957 IWGJHMRXOLYUKB-QHCPKHFHSA-N 495.645 5.224 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(OCC)c(Cl)c3)CCC2)cc1 1786374209 KOTRIRRVGHUMKH-MRXNPFEDSA-N 474.960 5.217 30 20 JKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)[C@H](S)C(C)C)cc4)CCC3)c2s1 1786394227 XRFOUROXDJQVTQ-HXUWFJFHSA-N 453.633 5.307 30 20 JKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)cn1 1786939849 JCSQXLHMCXQNIW-UHFFFAOYSA-N 492.501 5.271 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3sc4ccccc4c3Cl)CCC2)cc1 1788029089 UDTPHXOABZLLPB-UHFFFAOYSA-N 495.048 5.584 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccncc4-c4cccc(C)c4)cc3)CCC2)C1 1788358529 GYVYMTBHTSATKU-UHFFFAOYSA-N 451.570 5.771 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5ccc(Cl)cc5nn4)cc3)CCC2)cc1 1788492418 RAQMVNCHSSNHNN-UHFFFAOYSA-N 495.970 5.145 30 20 JKED Cc1nc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1789919861 ATZWARRGGHCSCT-UHFFFAOYSA-N 462.912 5.116 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)F)c4)CCC3)cc2)c1Cl 1790081697 DKBPKMSIYNUYJQ-UHFFFAOYSA-N 480.902 5.606 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5sc(C)cc5[nH]4)CCC3)cc2)c(C#N)c1 1790474631 ONGXYTKNVORMJF-UHFFFAOYSA-N 498.608 5.409 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)CSc4ccccc4)CCC3)cc2)ccc1F 1790520720 JCIQXYAYPQBJAA-UHFFFAOYSA-N 473.573 5.166 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4occc4Br)CCC3)cc2)c(Cl)c1 1790767284 UKUALUYDOAPPQO-UHFFFAOYSA-N 498.764 5.629 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791404115 BEBIWLGKCWXSIL-QHCPKHFHSA-N 493.648 5.146 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)CCC2)cc1 1791582601 DWTDYBYKCJUGAH-OVCLIPMQSA-N 455.558 5.127 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4cnn5C)CCC3)cc2)c1 1792123992 XHMWNDFTJKRGPU-IBGZPJMESA-N 477.568 5.262 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cnc5[nH]ccc5c4)CCC3)cc2)c1 1792126839 MZGAXULDRNKRAU-FQEVSTJZSA-N 491.595 5.570 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3)cc2)CCC1)C(F)(F)F 1792159396 QSWHFUXCVWMDLP-UHFFFAOYSA-N 458.480 5.342 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4)CCC3)cc2)cc1C#N 1792168349 PJGPLVTWGXZZCJ-UHFFFAOYSA-N 483.568 5.172 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(Cl)cc2)no1 1796487374 VUNKFWHJIQPMER-WKCHPHFGSA-N 453.970 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2ccccc2c1 1796722079 MSWCACBVZZQQCT-LRSLUSHPSA-N 481.434 5.623 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1Cl 1797876884 SOWBWGHHEGZTFS-MNVGVQDPSA-N 454.014 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2 1798334427 WWZUJRXNMBMYSA-CIAFKFPVSA-N 457.574 5.448 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800010268 FWLPCEQCAAYERE-ZMMAXQRCSA-N 475.967 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccnc3s2)[C@@H]1c1cccnc1 1802503557 QBFXHKLVIONRCF-RBBKRZOGSA-N 462.619 5.003 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2OC)[C@H]1c1cccnc1 1802503895 ZIULVJKMFCMJMT-XXBNENTESA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1802718155 LRCNRVSQEGEVBV-GMAHTHKFSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1803077085 HTYUYADTGYVNQY-DHLKQENFSA-N 463.622 5.369 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1803091489 NONJHKCETWEUKS-QFQXNSOFSA-N 489.019 5.371 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)cc3F)C2)CC1)c1ccc(O)cc1 1805071677 VHQKCQRXAALUKZ-NRFANRHFSA-N 497.010 5.227 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)cs3)CC2)C1 1805455313 ZALZDCHAMBSVCO-UHFFFAOYSA-N 465.457 5.124 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3c(s2)CCC3)[C@@H]1c1cccnc1 1806061602 ZOVABLKHZICKHA-GJZUVCINSA-N 493.749 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1806539773 YXWDYRCDGOIPLB-QPPBQGQZSA-N 487.566 5.341 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)cc2c1 1809157390 SVEQMJDXUDZDML-IDOVBLGQSA-N 491.595 5.132 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1)c1ccccc1 1810446134 NJJZVICSLKMJBX-XDIPAPSNSA-N 496.655 5.224 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1810447324 LNVHKTUETZYHSF-YJQWPYGTSA-N 493.651 5.478 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2C(C)(C)C)[C@@H]1c1cccnc1 1810494535 HPANVWHSUIILJG-JTHBVZDNSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccnc1 1810505035 LHJUBDPIFZLEOC-DYESRHJHSA-N 475.420 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1811252710 ASVOHRJSUDYCTL-QFZWGZQFSA-N 482.024 5.222 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3occc3n2-c2ccccc2)[C@@H]1c1cccnc1 1811278593 WVQJUQKAIBFITE-IADCTJSHSA-N 494.595 5.132 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@@H]1c1cccnc1 1812592818 UNMMYHCOVCFEBP-GGPAXRDESA-N 485.603 5.343 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCSCc2ccc(C)cc2)[C@@H]1c1cccnc1 1812954609 XDWVTWJBPKOFIC-GTNKKZTPSA-N 491.701 5.488 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1813937719 JBUKRNIIDUAZTN-VGOFRKELSA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)[nH]n1 1814829025 JMHXFDIQPIAGMZ-QFIPXVFZSA-N 473.577 5.447 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1 1817588840 AXQGKDICYIZIDG-HSZRJFAPSA-N 461.610 5.508 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)[nH]n1 1819301945 WLLARYVGXAHMED-KKSFZXQISA-N 458.965 5.205 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)[nH]n1 1819308114 VQOZUQAWAQDLBK-PXNSSMCTSA-N 456.974 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)[nH]n1 1819309855 JVLXXHPBPZMHJO-XKCSPQBFSA-N 450.583 5.028 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1 1820977269 VPIAZXCDFCZEAK-QRWLVFNGSA-N 494.423 5.142 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821127184 HPFIGDDJMKJRBN-IBGZPJMESA-N 480.918 5.581 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821286706 BCJUPRWPLAVVNC-CRAIPNDOSA-N 473.401 5.116 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821287227 CVDHXULTKNBROR-MRXNPFEDSA-N 471.385 5.081 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)c12 1821494121 XEJOYYTUCPOXBX-SBUREZEXSA-N 496.571 5.146 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1821919480 YCENUAYEFIABMP-IFXJQAMLSA-N 466.479 5.015 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1821988134 MLRTUZSMVUKHNV-MRXNPFEDSA-N 465.570 5.116 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n[nH]1)c1ccc(O)cc1 1822575145 OACFSJMGSLHYJK-AWTIUKJOSA-N 496.611 5.108 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)n[nH]2)CCC1 1823289387 KSDVKPCUNFXSEX-HSZRJFAPSA-N 453.546 5.076 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1823811589 INCVGWGNUTVQPN-MHZLTWQESA-N 457.618 5.158 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)cccc1C(F)(F)F 1823815063 ZAEDJKJDZPCJCO-RUZDIDTESA-N 497.561 5.362 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1824053393 WEWRZOMBDLBQCO-BVAGGSTKSA-N 489.582 5.028 30 20 JKED O=C(c1cccc2cc[nH]c12)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824054965 BZOKWLTUMSUAQB-RUZDIDTESA-N 474.004 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc3cccnc3cc2F)CC1 1824143945 WOXOUWNJRAMMPU-MHZLTWQESA-N 477.624 5.305 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)C1 1824447465 UYCROQDQXMMOCM-DEOSSOPVSA-N 476.583 5.614 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1824532686 GEMODRNMSRVULS-VXKWHMMOSA-N 462.059 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cnc2C)CC1 1825451849 XQLMUZDWCNLKFG-JTHBVZDNSA-N 488.470 5.154 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1825600447 JZGHDWYZSZPSKR-JYFHCDHNSA-N 496.602 5.357 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825961187 QBLXDLQTMMEHHU-PZJWPPBQSA-N 466.544 5.609 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1 1827406263 OHMOMOQZZAERPB-HSZRJFAPSA-N 483.754 5.285 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1828267918 BETDTBFNHCYNML-UZLBHIALSA-N 476.543 5.027 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1828352551 ROHGNOOEXISFQB-NSVAZKTRSA-N 476.661 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 1829068982 BPZAVYRGGTXEFM-OAQYLSRUSA-N 469.651 5.629 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829999407 XLEFWFAVDYIVCF-DEOSSOPVSA-N 499.533 5.133 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1830014998 NWATURGQZUHCFT-RUZDIDTESA-N 474.992 5.240 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)ccc1Br 1830350374 NCUPCLISUYXXKB-NOENIZQJSA-N 498.465 5.300 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830707453 ASTBSGVIGJXQIE-SANMLTNESA-N 462.659 5.788 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)nc1C 1830755481 ZEBWNWZDCXLEFE-DEOSSOPVSA-N 498.549 5.136 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CCC1 1830806563 IKBVJPADRPTZAF-SANMLTNESA-N 491.582 5.559 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831017323 FFYBEIYAUIBVLR-VWLOTQADSA-N 484.040 5.104 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1831373613 GDSIKHHCOYBIJP-IIBYNOLFSA-N 461.990 5.002 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831774906 FXMJJSXMHHTYFZ-QFIPXVFZSA-N 485.650 5.075 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1831844135 ZTIGQQGGDLOKDE-HTAPYJJXSA-N 488.053 5.079 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)CC2)c1 1831980214 IFQXASGJUVZCMO-AOLGGSBGSA-N 469.629 5.277 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3F)CC2)c1 1832633935 PDKPYOYNJWWROR-AVRWGWEMSA-N 465.544 5.139 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)CC2)C1 1832710561 PFTKTFPZRYOEKB-NRFANRHFSA-N 452.492 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)CC1 1836696068 HGMLOKQVPQMCBS-UHFFFAOYSA-N 492.582 5.015 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)CC1 1838767714 MKXILTWITLLGKF-HJOGWXRNSA-N 493.692 5.388 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)C1 1845194355 IGROZYJFGYGOAA-UHFFFAOYSA-N 493.648 5.163 30 20 JKED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cc4cc(F)ccc4s2)C3)cc(C(F)(F)F)c1 1845513550 XXOBVAOWQUDZPV-UHFFFAOYSA-N 487.478 5.062 30 20 JKED C#CCCCC(=O)N1CCCC12CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1846374009 JNGFQFROELPAGU-UHFFFAOYSA-N 460.540 5.374 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172754 JGVKUHXHLDXFRU-UHFFFAOYSA-O 496.386 6.496 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11166290 XHXSUGYJGCLETL-UHFFFAOYSA-O 465.642 6.541 30 20 JKED Cc1nc(CSc2ccccc2C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)cs1 14846687 CFHDTRZKMFZMHF-UHFFFAOYSA-N 457.964 5.064 30 20 JKED Cc1nc(CSc2ccccc2C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cs1 14846710 LPWRXRIZVFFVTA-UHFFFAOYSA-N 475.595 5.652 30 20 JKED C=CCN(C(=O)c1sc(-c2ccccc2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 17346037 PVNQMAQQHGPOLJ-UHFFFAOYSA-N 462.556 5.983 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2sc(-c3ccccc3)cc2c1=O 20882467 LMFKZTIDPNXCBU-MRXNPFEDSA-N 477.611 5.439 30 20 JKED N#Cc1ccc(COC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 20969616 LBLXLOMLFQOTOJ-UHFFFAOYSA-N 468.481 5.247 30 20 JKED Cc1nc(SCC(=O)Nc2ccccc2SCC#N)c2cc(-c3ccccc3)sc2n1 21175774 LVVQWCSKJVCOGI-UHFFFAOYSA-N 462.625 6.013 30 20 JKED C=CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl)c1ccccc1 22993922 BKWFTFLHRPQTMQ-UHFFFAOYSA-N 458.942 5.137 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc3ccccc23)cc1 23603068 IGHMORSATWXSRF-UHFFFAOYSA-O 470.662 7.027 30 20 JKED CCOc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc(Br)c1OC 23724229 DKMSSDDFURXHOG-BOPFTXTBSA-N 461.381 5.365 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)c3sc(-c4ccco4)nc3-c3ccccc3)n2)C[C@H](C)O1 29609408 QJIYWWDGQXLLHH-HOTGVXAUSA-N 480.615 5.772 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 32786659 XMYJUQPEJGGWFI-DEOSSOPVSA-N 478.618 5.253 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1Cl 71907192 JFHPXMMHLRSFRT-JOCHJYFZSA-N 457.917 5.010 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 71939976 FZRYDSPASGKMAV-HNNXBMFYSA-N 481.002 5.059 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)o1 104688094 BZANQDUMDJVGKH-UHFFFAOYSA-N 498.593 5.709 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)cc12 216737678 OTBHMGFVRLDZGK-OAHLLOKOSA-N 499.427 5.569 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)cc1 410314359 IXOLCXKHOGPJAV-UHFFFAOYSA-N 487.625 5.860 30 20 JKED CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc21 483471001 PLELVBRPORRYPB-UHFFFAOYSA-N 455.514 5.374 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1Cl 495125781 CNUJBZGMRYKQNA-CYFREDJKSA-N 479.049 6.091 30 20 JKED CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 495366263 YYKWBCYWIIDVPJ-UHFFFAOYSA-N 474.336 5.260 30 20 JKED C=CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1nc(-c2ccccc2)cs1 495821042 SRLWCYSEFXANMT-UHFFFAOYSA-N 489.670 5.867 30 20 JKED C=CCn1c(SCC(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 500148956 YVYALINNGSLSLX-KRWDZBQOSA-N 466.010 5.358 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)nnc1-c1cccnc1 503712396 HBGYJBVJVCZWSL-UHFFFAOYSA-N 490.658 5.678 30 20 JKED Cc1nc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)sc1SCC#N 504685303 SPKQTMSOSFMVFP-UHFFFAOYSA-N 460.009 5.682 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 505874710 MSYQYHZSMYHWIE-UHFFFAOYSA-N 452.543 5.066 30 20 JKED COc1cc(-c2nnc(Sc3cccc(F)c3C#N)n2-c2ccccc2F)cc(OC)c1OC 506850527 JWCJQJVHNNVDHT-UHFFFAOYSA-N 480.496 5.261 30 20 JKED Cn1c([C@H](C#N)C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)nc2ccccc21 507015469 AAADRQFIEGVGNK-HXUWFJFHSA-N 498.608 5.183 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 510316185 URSKVTZILROWTC-UHFFFAOYSA-N 452.436 5.792 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cn(-c2ccc(C)cc2)nc1-c1cccc(OC)c1 512855759 JNTSVPNLLYYUGB-UHFFFAOYSA-N 452.514 5.379 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nnc1-c1ccccc1OC 514986137 TXQXJGFSVHSBHT-QHCPKHFHSA-N 462.619 5.384 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2SCCC#N)nnc1-c1ccccc1 517440959 JKAFXIGUSSKRHB-QGZVFWFLSA-N 451.621 5.653 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cs1 517525246 IGTHCEVCZZDAIQ-JKSUJKDBSA-N 464.616 5.329 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 518131779 QOGPSYNEIBGNQB-HHHXNRCGSA-N 490.563 5.483 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 518211078 DQEQESWFKFWHJF-IBGZPJMESA-N 461.974 5.039 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1S[C@@H](C)CC#N 518253018 OQGBOVMFSLOVGM-AWEZNQCLSA-N 450.377 6.036 30 20 JKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2)C1 519511713 YBLLEXNUFVNJKN-AJTFRIOCSA-N 460.622 5.393 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 519515868 ZMFKIFGAWUAUPY-QGZVFWFLSA-N 454.555 5.341 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc(OC)c1Br 520431658 YIQMZQWEEMTMFM-LLVKDONJSA-N 479.302 5.358 30 20 JKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1cccc(Cl)c1Cl 521768661 HHSKZNMXVSPTBY-HXUWFJFHSA-N 464.312 5.117 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c3c(C)noc3n2)c(C)s1 522178807 WMNLUOBLWSYEAF-UHFFFAOYSA-N 499.596 5.239 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 598033282 FWNRSPAPFBVLJE-KRWDZBQOSA-N 482.009 5.221 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603623638 KGHQVCZYDSRJEK-UHFFFAOYSA-N 460.490 5.481 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)cn2)c1 603693015 SRKZQRWNPXJCKT-UHFFFAOYSA-N 495.505 5.504 30 20 JKED COc1ccc(OC2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 603831628 KJLZGZHSFIUXKM-UHFFFAOYSA-N 471.557 5.416 30 20 JKED Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Br)c1 604003686 SQHNVJAPPPCYMN-GOSISDBHSA-N 479.374 5.809 30 20 JKED C[C@H](N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 604044892 GYCBXWNNVUILIG-IRXDYDNUSA-N 478.955 5.210 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc2cc(C(F)(F)F)ccc2s1 604523487 YDUAZAMSGYIXEL-CYBMUJFWSA-N 474.445 5.837 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609079424 BWIKIFMIEVDARF-UHFFFAOYSA-N 490.991 5.594 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cc2F)c1 609110805 SOTYMJSSCGRECJ-UHFFFAOYSA-N 471.366 5.394 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)n1 609174836 WZTOUJGWIOQQBO-MHZLTWQESA-N 450.542 5.122 30 20 JKED N#CC1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)CC1 609212432 KJXJQSWZVIPQLO-FQEVSTJZSA-N 463.434 5.099 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1 609420394 TXXFOPSNZOXXJQ-UHFFFAOYSA-N 454.555 5.629 30 20 JKED Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)o1 611167198 POQKAQSICAKIPY-UHFFFAOYSA-N 475.549 5.253 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)n2)cc1 613314295 JCBIZEANYAFLTE-OAQYLSRUSA-N 463.566 5.866 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc(-c3ccco3)nc21 613405026 TXZIUXLUKMNWTE-HNNXBMFYSA-N 495.486 6.391 30 20 JKED COc1cc2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)[nH]c2c(OC)c1OC 620304627 XDIIWKCKOQRYNA-GFCCVEGCSA-N 469.469 5.085 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1=S 725773240 CMUPIKQQZYIEHB-UHFFFAOYSA-N 483.682 5.012 30 20 JKED CC(C)N(CCC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 726533466 YCFGUBVOVQNLTM-UHFFFAOYSA-N 474.797 5.212 30 20 JKED CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc(C#N)c(Cl)c2)cc1 726570724 JFWXBAPXGLZRGL-UHFFFAOYSA-O 494.040 5.769 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C 726754822 RXIPBRFVSSEAPE-UHFFFAOYSA-N 489.004 5.012 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 726942081 QLMXPQGYZCUUPC-GOSISDBHSA-N 488.638 5.941 30 20 JKED Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1C=NNc1ccc(OCC(F)(F)F)cc1 727262173 MPCNTCSLWCMVCW-UHFFFAOYSA-N 468.483 5.178 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cs1)c1cccc(C)c1C 728333505 YNRFQYVAKAGUNN-DEOSSOPVSA-N 477.586 5.463 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2c(c1)CCC2 728426588 WQFWIFQLXBOEJM-CJAUYULYSA-N 495.608 5.163 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl 728766650 FBGWGCADMORAJE-CYBMUJFWSA-N 492.413 5.088 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)cc1Cl 728777024 IEFRETVXQDPFBS-JOCHJYFZSA-N 499.036 5.620 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(Cl)cc1 728777637 LVENBYRUOLGPJF-QHCPKHFHSA-N 491.016 6.147 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2scnc2C)cc1 729144742 DXACEIJPYAWPMO-HXUWFJFHSA-N 499.061 5.882 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C(/C(=O)c3cccc(OC)c3)c3ncc[nH]3)cc2)cc1 729240704 XLLBBKSTWFSZGU-XYGWBWBKSA-N 468.509 5.207 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O 729464178 NUYNPVFMKMWWCY-UHFFFAOYSA-N 475.379 5.888 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 729634881 VXDRNWSVBAKGPT-RUZDIDTESA-N 480.593 5.704 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc(Cl)c1OC 730584611 WTRZWNJMWYVBJE-UHFFFAOYSA-N 473.769 5.005 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(CC)cc3)N(Cc3cocn3)C2=O)cc1 730720035 NGHQVPUWSZMENG-QHCPKHFHSA-N 492.601 5.186 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 731026410 KIEGJYHJAUQAGO-ZSHKSDETSA-N 484.666 5.130 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1cccc(Cl)c1 731068666 BGRHHNHKKITUGD-HNNXBMFYSA-N 468.966 5.024 30 20 JKED COc1cc(C)c(C(=O)/C=C\c2cc(Br)c(OC(F)F)c(OC)c2)cc1OC 731320347 WBMXYPMFBOOEAH-WAYWQWQTSA-N 457.267 5.281 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)c3ccnn3C)c2C#N)C(C)(C)C1 743225488 WPDYVYHMPUGCAZ-WAYWQWQTSA-N 492.626 5.297 30 20 JKED Cc1cc(CSc2ccccc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)on1 746100201 GZDRBUKRIUECJW-UHFFFAOYSA-N 479.612 5.543 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCOC(C)(C)C)cc1F 746698253 YBPIBGWXLDGUOX-HXUWFJFHSA-N 493.551 5.188 30 20 JKED C=CCc1cc([C@H]2NC(=O)N(CC)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1O 747141847 ZJKLBNWGQZEQNW-OAQYLSRUSA-N 489.494 5.147 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O 799218703 DTRZNNJDEVWKEU-MRXNPFEDSA-N 489.878 5.010 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)c1 837641032 UGNGQYWUHRSXDI-XMMPIXPASA-N 496.652 5.276 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1ccccn1 838510073 MRTGHBNYMKPPTQ-RUZDIDTESA-N 496.592 5.404 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(NC(C)=O)c2C)c1 892629013 QGURIDCZJYXRJM-UHFFFAOYSA-N 498.004 5.240 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2sccc2C)C1=O 914552556 DGUUEIGXCDDYOC-NRFANRHFSA-N 497.617 5.673 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)cc1 914772844 QEYWYAWQQNEMDD-QHCPKHFHSA-N 477.561 5.133 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 915085046 DSHROAQKXIRISP-ISKFKSNPSA-N 478.379 5.892 30 20 JKED Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086763 NCFRSWMSYBQOFM-NDEPHWFRSA-N 495.604 5.381 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 915101323 HCWYKOZQLBDYLF-DNVCBOLYSA-N 470.019 5.709 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1F 916212566 YDNMNYGSTTWLCT-IBGZPJMESA-N 475.904 5.372 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1 916214845 PRPJPLWVIXKQHJ-KRWDZBQOSA-N 464.374 5.125 30 20 JKED O=C(Nc1cccc(C=NN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1)c1ccc(Cl)cc1 916283591 JGDVOQPTNTVJPY-UHFFFAOYSA-N 498.882 5.284 30 20 JKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC 916883566 MVDBQCHWDBVLOW-CQSZACIVSA-N 454.882 5.023 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccccc2Cl)o1 916903532 TUQHTHFMYKNVGR-HNNXBMFYSA-N 472.328 5.246 30 20 JKED CCOc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916977715 XFVYVBUIRSHQLN-JXFKEZNVSA-N 465.962 5.092 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2n1C(F)F 917040296 KMTXWKBDPLLSKZ-PXUDHTSWSA-N 453.901 6.703 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl 917506764 GYTNRLLAUMIOTN-LLVKDONJSA-N 463.342 5.535 30 20 JKED CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc(Br)c1OC 917645278 WJKXMBNUWBFLBV-LICLKQGHSA-N 475.389 5.134 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C2CCCC2)C1=O 917704171 GMOPHJVFKYECGZ-JOCHJYFZSA-N 497.020 5.432 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1 918489637 LZUJEKDCKMXTGN-QAPCUYQASA-N 474.369 5.581 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 919195224 BANMXZNIQIBEEV-UHFFFAOYSA-N 478.618 5.446 30 20 JKED CC(C)CN(CCC#N)Cn1nc(-c2ccc(Br)o2)n(Cc2ccccc2)c1=S 919944115 SFMPNXSPYMVLID-UHFFFAOYSA-N 474.428 5.314 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 920108760 JKVOYJXNWDKFJP-CJNGLKHVSA-N 474.369 5.618 30 20 JKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 920113107 PYXJKMFNXVLDPG-AWEZNQCLSA-N 450.308 5.553 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3nc(-c4ccc(OC)cc4)no3)n2)cc1 920141858 IEWRZRGIIBYTAV-HXUWFJFHSA-N 474.542 5.076 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c1 920355102 KGIYMGARHNYFCE-QFIPXVFZSA-N 462.575 5.069 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c(Cl)c1 920358191 YYUKEPYEFGLWOA-OAQYLSRUSA-N 497.020 5.722 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 920868004 ZTVMBFWTAKGCRS-WAIKUNEKSA-N 497.567 5.361 30 20 JKED N#C[C@@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 920875391 YAEIZQOXTDDVMA-SFHVURJKSA-N 462.333 5.070 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3Br)cc2)CCC1 1785958822 ZYMCFJRAYWWKJW-UHFFFAOYSA-N 457.343 5.139 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1786241041 QDODLQJZZSAEBS-FXAWDEMLSA-N 491.579 5.025 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786391641 PSAWIPIWCHWITB-VLYJIQRVSA-N 477.674 5.453 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCc3c(C)noc3C)cc2)CCC1)c1ccc(O)cc1 1786911471 FDZOXWHQHZCRSH-QHCPKHFHSA-N 499.611 5.261 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)[C@H](C3CCOCC3)CN4)cc2)CCC1 1787948746 UHYSBUYTPOQSRM-FNZWTVRRSA-N 487.644 5.582 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccccc5n4C)cc3)CCC2)c1 1788886295 QQGFDUALSZGITM-UHFFFAOYSA-N 478.552 5.120 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(Br)c4)cc3)CCC2)c1 1789698257 LDNPCQMDMIVBTA-UHFFFAOYSA-N 489.373 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cn3)cc2)CCC1 1789707105 SMYCXAGPZUSGAZ-HXUWFJFHSA-N 468.395 5.360 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791298980 LWGOYRDYUZPEAM-DEOSSOPVSA-N 491.579 5.122 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CC3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791409486 WLVOKKGEFOISNL-FQEVSTJZSA-N 495.664 5.370 30 20 JKED Cc1noc(C)c1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123226 OICCVGSNCVAAQH-GOSISDBHSA-N 470.573 5.299 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1F 1792123360 WFXOYOJPWNUGNQ-GOSISDBHSA-N 471.532 5.523 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccsc5n4)CCC3)cc2)c1 1792124842 LQGBJPARTNXEFO-KRWDZBQOSA-N 469.570 5.084 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1792127367 WZHJODIZQGNCEZ-HXUWFJFHSA-N 462.553 5.441 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1)NC(=O)OC(C)(C)C 1792206068 IDWOJQWABGARRV-JOCHJYFZSA-N 495.620 5.124 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](F)c4cccc(F)c4)c2)C3)C1 1792503039 DNPKZLGYQVALMH-NDBXHCKUSA-N 450.529 5.103 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2cccc(OC)c2)c1)c1ccccc1 1794604612 QAOQVMQZOXGZOQ-IYOUEGCASA-N 495.623 5.139 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1796961884 DXLQZFJFWZGQOV-WKCHPHFGSA-N 454.998 5.844 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1802498412 BNGLFWSPGVIOLE-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1803091064 KYLBEWFNYOBKMT-XXBNENTESA-N 489.513 5.328 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC3(CCCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)C3)CC2)c1 1804741686 IATWLFJRKGIIKG-UHFFFAOYSA-N 489.019 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@@H]1c1cccnc1 1806998498 ONIRCUQOCIQJDZ-URQJIXFOSA-N 498.671 5.234 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CC3CCC(C)(C)CC3)[C@@H]2c2cccnc2)c1 1808904454 OZPBPVNTDDWYKF-IGKIAQTJSA-N 472.633 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1810174204 MORVQKWNESRHOR-BFLUCZKCSA-N 451.655 5.462 30 20 JKED CC[C@H](C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1ccccc1 1810275334 VBEFVYNMMPJOHU-PBWSGDRGSA-N 489.736 5.332 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC3(CCN(C(=O)c4ccc(CC#N)cc4)CC3)C2)cc1 1810350653 CJOBPTYKNIHUCP-UHFFFAOYSA-N 492.623 5.282 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810925360 RTVUHSFPABRILM-WMZHIEFXSA-N 489.513 5.328 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1811285366 FRZJOEMTWWIOJW-MFSJNOQSSA-N 472.614 5.081 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 1811820258 UXDPEBPROKAKPO-WIOPSUGQSA-N 482.100 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812301491 GBWWTAIXASVJOS-QDPGVEIFSA-N 493.607 6.069 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1812787499 NJBBHAHNXMOQAD-LEQUEVMJSA-N 493.051 5.533 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1812984526 DDDWUDWGNSPABZ-HOFKKMOUSA-N 492.063 5.446 30 20 JKED CC#C[C@H](CC(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1)c1ccc(O)cc1 1813124445 WVXGHWYHNKQQKJ-LBIBWWDDSA-N 499.655 5.127 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@H]2c2cccnc2)C1 1813953795 MCXXMIWABWDTCC-XNMGPUDCSA-N 451.570 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 1814361794 JYFRGSRSJVOGGW-KNQAVFIVSA-N 459.550 5.139 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)[nH]n1 1814569080 DEOVSFOVECMAOG-FQEVSTJZSA-N 494.393 5.181 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)[nH]n1 1814828895 WWGFRHNWFAZCFX-NRFANRHFSA-N 465.985 5.619 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)n[nH]2)C1 1816179504 ZZCITOXIIGXXST-OAQYLSRUSA-N 498.509 5.091 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(Cl)cc3)n[nH]2)c(Cl)c1 1816933056 LJPLYYWGIGFIJW-OAQYLSRUSA-N 482.371 5.137 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccn(C)c34)n[nH]2)c1 1818726805 FGGUFLVRWXZNLP-KOSHJBKYSA-N 480.572 5.148 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4c(Br)cccc4c3)n[nH]2)C1 1819130215 WLCCJWLTDOJAOP-JOCHJYFZSA-N 493.405 5.598 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)[nH]n1 1819552549 QFIFYZUALYUYTC-KRWDZBQOSA-N 464.397 5.410 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819962966 FAJHBPCZMJXDPZ-DOMZBBRYSA-N 461.440 5.038 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)n[nH]2)CC1 1821006937 NTALDFJBBQVLQK-UPVQGACJSA-N 489.526 5.217 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4c5ccccc5n5ccsc45)sc3C2)cc1 1821191824 VCZKEDJOQJMWAM-QGZVFWFLSA-N 497.605 5.022 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occc4c3O)n[nH]2)c1 1821503827 PWYDNDKATBSUOF-OPAMFIHVSA-N 483.528 5.108 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1)C(F)(F)F 1821569991 WPQGPTULVLXPQC-SFHVURJKSA-N 477.874 5.036 30 20 JKED CC(C)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1821933370 VVXWPYFUJGQAGM-IBGZPJMESA-N 461.488 5.042 30 20 JKED Cc1ccc([C@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1822067334 JSVMLVLAQGOPRN-RNHFSVANSA-N 469.589 5.455 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(OC)c2)n[nH]1 1822129211 PLXFPIROSASGAE-CHHLAKQQSA-N 450.583 5.116 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCCCCCC(=O)OC)n[nH]1 1823533864 WDXPLRZNBAGFSY-NRFANRHFSA-N 460.619 5.052 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@]3(F)CCCC=C3F)n[nH]2)c1 1823588177 ICDUHHLOOMAUDJ-YNSGVOSJSA-N 467.520 5.088 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823660863 KAYKTUFCSBGKSO-CPJSRVTESA-N 490.673 5.368 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1823685203 NBVVFLPMAOJTFL-NDEPHWFRSA-N 471.645 5.052 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824246543 QYNBKMJMUICVHS-VHHZFHAKSA-N 477.114 5.552 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1824962145 CUSOLHIDWRNEAM-NRGMSUJUSA-N 465.663 5.028 30 20 JKED CC1=C(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CCO1 1827284490 YEFUJUQTVMTDPF-GDLZYMKVSA-N 482.624 5.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)CC2)c1 1828335773 XJCNINQJQZYRBW-JPYJTQIMSA-N 474.630 5.404 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1828714008 RGKDKCYDIYJLFH-OAQYLSRUSA-N 486.538 5.037 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccnc2Cl)CC1)c1ccccc1 1829029952 IFZVYZIDSRUENC-UPVQGACJSA-N 496.026 5.305 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)ccc3c2OCO3)CC1 1829066315 BDVPPKGRPAMSBT-HXUWFJFHSA-N 475.029 5.294 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c4ccccc4n4ccsc34)CC2)c1 1829955942 YTTRIGKRYYNLBA-XMMPIXPASA-N 496.636 5.573 30 20 JKED Cc1cc(Br)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829959211 PPGUXAYBFKZERH-DEOSSOPVSA-N 494.433 5.176 30 20 JKED CCCc1onc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721604 JWEHFBWZIATTGX-QFIPXVFZSA-N 483.012 5.008 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cccnc34)CC2)c(Cl)c1 1830721852 ROLYZOBDGIRIQS-RUZDIDTESA-N 487.003 5.307 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)cc1 1830826012 RHFYGEMQCOGLKI-SANMLTNESA-N 483.616 5.105 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1831373251 AQVVUTYHOPAICX-HOYKHHGWSA-N 469.029 5.176 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1)C(F)(F)F 1831449140 RTFLJVBKDOTYPF-FCHUYYIVSA-N 450.545 5.164 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(OC(C)(C)C)cc3)CC2)CC1 1836447382 LBXJZPWVGNCSEA-UHFFFAOYSA-N 483.697 5.042 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)CC1 1836839561 WMRBEZHRPLPBBT-FQEVSTJZSA-N 494.598 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3ccc(Br)cc3s2)C1 1844062867 YZKXWVMKVZTACT-GOSISDBHSA-N 473.436 5.249 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](c1ccc(OCc2ccccc2)cc1)C(C)C 1847829027 VWVBGXMUKFXXBE-NFGXINMFSA-N 494.701 5.161 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 3475663 JRDJBSNIQCLOHB-RUZDIDTESA-N 492.004 5.752 30 20 JKED COc1ccc(Cl)cc1NC(=O)C(=Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1OC 14177985 AYJNBIILPAWZDE-UHFFFAOYSA-N 496.350 5.543 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc2c(c1)CCCC2 14871789 HTXKXVMQBQVUFA-UHFFFAOYSA-O 460.579 5.374 30 20 JKED Cc1ccc(-n2c(SC[C@H](O)COc3ccc(CC#N)cc3)nnc2-c2ccccc2)cc1C 15232756 LPHYKKLOKMGJFJ-XMMPIXPASA-N 470.598 5.149 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18526304 PQBBQJMQELDERH-ZDUSSCGKSA-N 471.629 5.187 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)cc1 22283588 QDFGWCHERZPZDI-LJQANCHMSA-N 463.607 5.779 30 20 JKED COc1cccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)s2)c1 22362035 BSNQGUUKYFTMEV-QGZVFWFLSA-N 467.620 5.335 30 20 JKED Cc1csc(SCc2ccccc2C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 22621365 STERXBGLIXIMKK-SFHVURJKSA-N 465.600 5.236 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)n(C2CCCCC2)c1C 24505768 WJEBWEYSIWEPSV-UHFFFAOYSA-N 469.998 5.916 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)nnc1-c1ccc(F)cc1 29845700 DLYYDPBAGOYSJT-IBGZPJMESA-N 493.589 5.395 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2c(-c3ccccc3)noc2C)o1 32786880 PUBFHBUAGVQEFR-UHFFFAOYSA-N 470.558 5.361 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1F 216105814 IAEBOYULWJSQHG-GFCCVEGCSA-N 484.906 6.062 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)nnc1-c1ccncc1 255930071 VSPAYTSWBSUMAV-UHFFFAOYSA-N 490.658 5.885 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(CCc3ccccc3)Cc3cccnc3)cc2F)c1 481739811 JTFLPJBTMGZZPM-UHFFFAOYSA-N 480.543 5.948 30 20 JKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c2cnn(Cc3cccs3)c2n1 487996999 OEPIYCDMTSCCMY-UHFFFAOYSA-N 495.583 5.703 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccccc1OC 494311518 VTQVVNRLNQIPLR-OAHLLOKOSA-N 495.605 5.522 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1nc(-c2cc(Br)cs2)no1 500303756 APTZWJSOOIVNNQ-UHFFFAOYSA-N 473.396 5.050 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Br)ccc2C)nnc1-c1ccc(Cl)cc1 501446038 AAMJXEMRXZHHBK-UHFFFAOYSA-N 477.815 5.586 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3[nH]c(C)cc3c2)nnc1-c1ccc(Cl)cc1Cl 505597601 VBBTVKJOKZWJRN-UHFFFAOYSA-N 472.401 5.958 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 510231954 ZNTRAEYEHYIBQR-KOSHJBKYSA-N 492.044 6.312 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1-c1ccc(Cl)cc1 510690700 KYLVUHHXUVXOMW-UHFFFAOYSA-N 496.061 6.526 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 511004560 XCPSAZAXFJWLSR-UHFFFAOYSA-N 457.496 5.716 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)c1 511132992 WMYDVQRSMVOJKY-UHFFFAOYSA-N 494.334 5.729 30 20 JKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511503221 HCAPWVWIRLJTFY-UHFFFAOYSA-N 468.435 5.373 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccccc2NC(=O)c2ccccc2Br)nc2ccccc21 513676551 GWSBSAQRMXSHGE-QGZVFWFLSA-N 473.330 5.078 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1nc2ccccc2s1 514434855 GZPITDRGVQDNAN-CQSZACIVSA-N 486.022 5.426 30 20 JKED C=CCN(CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccc(Cl)s1 514917790 OFAJOKJTSMJEJL-UHFFFAOYSA-N 456.999 5.350 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Nc2cc(C#N)ccc2OC(C)C)cc1 516382483 ZQKCCPDMHFCTTF-GOSISDBHSA-N 472.545 5.045 30 20 JKED Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1 516822521 LZEXCDXCVRNKOS-VWLOTQADSA-N 477.586 5.018 30 20 JKED Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)ccc1F 518245626 YQYJSJKLSLHGHR-QGZVFWFLSA-N 483.590 5.582 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 518653181 VKQKKNXDIWMQDP-IRXDYDNUSA-N 498.653 5.012 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 518911599 GFJDMUAODRNZKZ-UHFFFAOYSA-N 481.556 5.037 30 20 JKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Br)cc1 521383376 LCLXYVGMUVRVOR-GFCCVEGCSA-N 474.409 5.347 30 20 JKED O=C(NCCc1c(F)cccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 521712244 HPLAWXYRGQSYKB-UHFFFAOYSA-N 480.771 5.128 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 582020797 DGTAYTPBYUIMLV-UHFFFAOYSA-N 455.484 5.131 30 20 JKED Cc1ccccc1-n1c(C)nnc1SCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 589934751 WMHQZAXIQFOBCI-AWEZNQCLSA-N 451.621 5.063 30 20 JKED COc1cc(-c2cc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)c3ccccc3n2)cc(OC)c1OC 591862009 IHPBICRLSWACNY-QFIPXVFZSA-N 489.531 5.966 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1Cl 604137495 IOIXFUQITYXEPW-HXUWFJFHSA-N 487.865 5.149 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 608866582 ZSLNCDKBJNUFSQ-LJQANCHMSA-N 488.588 5.522 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 608918962 XBTPWTMRMBWXAG-UHFFFAOYSA-N 463.585 5.590 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCc3cccc(NC(=O)c4ccc(F)cc4)c3)o2)cc1 609058472 VMENWMQCVRVYKF-UHFFFAOYSA-N 469.472 5.052 30 20 JKED Cc1ccccc1C1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCOCC1 609062486 ROYMHXHCZIUFHT-UHFFFAOYSA-N 460.961 5.786 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nccnc3-c3nc4ccccc4s3)cc2)c1 609073484 JFPVSYZIMGYJLN-UHFFFAOYSA-N 463.522 5.456 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 609080372 YYMDZKXKTSMKSD-UHFFFAOYSA-N 495.558 5.487 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C#N)c(C)c1C 609103930 JFRHKFCFBDQFAJ-UHFFFAOYSA-N 460.534 5.199 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCc1cccc(Cl)c1Cl 609401598 YACKYBFARFRMSR-UHFFFAOYSA-N 490.334 5.315 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccccc1SC[C@H](C)C#N 609401925 KHIVYCJVGZUHDO-MOPGFXCFSA-N 465.623 5.077 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 610927288 WCLSDEJPNKJSGY-HXUWFJFHSA-N 463.525 5.525 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(-c3ccco3)nc21 620304237 KXHDFAJJHHEIIL-OAHLLOKOSA-N 489.507 6.164 30 20 JKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 622478232 YKWZFVYKKQXEGA-KRWDZBQOSA-N 463.397 5.266 30 20 JKED Cc1c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nnn1-c1ccc(OC(F)F)cc1 622485171 GJVKFFMEASQMNC-MRXNPFEDSA-N 494.342 5.229 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc12 642282403 OQKXWWHPOCNRIH-NSHDSACASA-N 459.250 5.174 30 20 JKED CCCCCCCCCNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 726234394 RECGSNYQPIIOEH-UHFFFAOYSA-N 452.437 5.560 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Oc1ccccc1 726305775 CYGIYOCEJXPODG-KDYSTLNUSA-N 475.548 5.950 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc3ccccc3o2)cc1 726570162 UVQFJQFOSKAAEP-UHFFFAOYSA-O 486.617 6.130 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)Cc2ccccc2-3)c1 726570497 BLLKBLOZYATZKC-UHFFFAOYSA-O 495.027 6.702 30 20 JKED Cc1cc[n+](/C(C(=O)c2ccc(CC(C)C)cc2)=C(/S)NCc2ccc([S@](=N)(=O)O)cc2)cc1 726572281 UUTZGIRKZVKMEC-UHFFFAOYSA-O 496.678 5.088 30 20 JKED Cc1ccc(OCc2nc(/C=C3/SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)cs2)cc1 726627544 RLNXSXBMYYZHHA-UFWORHAWSA-N 484.027 5.961 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 726754527 LSTXGPUQQRHTPO-UHFFFAOYSA-N 473.330 5.385 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 726754820 RTSDXCCCENPQPY-UHFFFAOYSA-N 499.368 5.450 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)c12 727918744 JCNJAQMYMWBRGJ-KRWDZBQOSA-N 472.501 5.098 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 728139485 HIDJKLAEYLFNQJ-UHFFFAOYSA-N 496.611 5.033 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)cs1 728441359 IDGZQDQIYYGXHZ-RAXLEYEMSA-N 477.586 6.603 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c1 729146773 XYYFVVIIZICLRP-LJQANCHMSA-N 468.579 5.060 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCCSC1=Nc1ccccc1 730447651 DCGJZHVVFACSAC-QGZVFWFLSA-N 462.662 5.004 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O 730459079 GFYBICUNEDRXCO-IBGZPJMESA-N 477.508 5.227 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(C)c1 730506602 ZCKUMKPJXZMBEV-IBGZPJMESA-N 493.601 5.307 30 20 JKED C[C@@H](OC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)N(CCC#N)c1ccc(F)cc1 730608036 DXVPLUYTTUTNRH-CQSZACIVSA-N 493.482 5.265 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1)c1ccc2ccccc2n1 730685466 GIIRMUVXTCESLM-UQBPGWFLSA-N 475.317 6.133 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(C)c2C)s1 730714387 XQCNJVLVQVKBJY-XLIONFOSSA-N 479.631 5.185 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1C 730943512 DYPUNQZEBPLZTH-SBUREZEXSA-N 494.567 5.698 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N([C@@H](C)c3cccnc3)C2=O)cc1 730945418 RGJISVBGTJMPJE-FDDCHVKYSA-N 476.577 5.559 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731307423 RXRWOALLRPZFAF-NRFANRHFSA-N 465.962 5.206 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c2C)cc1 743874422 UDNULULWPRTTJS-UHFFFAOYSA-N 475.599 5.371 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc3cccnc23)C1=O)Nc1ccccc1 744997551 RMJFLHPBJRMFNI-QHCPKHFHSA-N 484.556 5.534 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747111557 CLDPGAWNLJWDQF-LJQANCHMSA-N 486.424 6.132 30 20 JKED COc1ccc(C=NN(C(=S)Nc2cccc(Cl)c2)C(C)(C)C)cc1OCCCC#N 747356688 GNVFXWBNHUGAMO-UHFFFAOYSA-N 459.015 5.863 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cscn3)C2=O)cc1 747600140 NTYDHAOVHSQWGL-JOCHJYFZSA-N 492.626 5.123 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CCCCOCc2ccccc2)C1=O 747602180 JUDJKLXSWCMSCQ-FQEVSTJZSA-N 494.444 5.058 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)c1 748583591 HHPVJSWEHHSJJE-GXDHUFHOSA-N 495.535 5.409 30 20 JKED CCOc1cc(/C=C(\C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c2ccccc2)ccc1O 786208118 LMWRMYVZVKRVCK-MTJSOVHGSA-N 476.916 5.038 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)c(C)c1 799212337 HFNONQYFNJCGMH-SFHVURJKSA-N 460.397 5.046 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)cc1 837545544 BEWSCFAHYIOZFU-WZONZLPQSA-N 474.586 5.202 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccccn3)C2=O)c1 838592661 SYJZWIPIIXAUHG-JOCHJYFZSA-N 480.540 5.137 30 20 JKED C=C(Cl)CSc1nc(C)c(CC(=O)N2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)s1 849543889 BRZROWKGOPZYDF-OAQYLSRUSA-N 495.114 5.071 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CCCC2)c1 913118453 SXXYQCDZMGNSSD-OAQYLSRUSA-N 485.009 5.201 30 20 JKED CCOc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 915354286 ZCFCVXFWSPDBAS-MHZLTWQESA-N 482.584 5.167 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 915780751 CWLMRDMOLJHCKK-CUDHKJQZSA-N 497.439 5.306 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(C)nn(Cc3ccccc3Cl)c2C)S1 915849070 UQQLMZFWESNZAZ-CIAFOILYSA-N 450.995 5.710 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1 916208297 YTFLFRYFOZWRCF-QHCPKHFHSA-N 458.587 5.167 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1 916210402 CZXSSVGPMXVLAE-DEOSSOPVSA-N 472.614 5.476 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 916213896 ISBXAHRKEIQWQV-GOSISDBHSA-N 484.380 5.129 30 20 JKED CCCOc1c(Br)cc(C=Nn2c(S)nnc2SCc2ccccc2)cc1OC 916368798 OBURKHUBIWOZCZ-UHFFFAOYSA-N 493.452 5.301 30 20 JKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)[C@@H](C#N)c2ccccc2)cc1 916623046 YVFXZCUCZFMIEW-DEOSSOPVSA-N 468.582 5.225 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 916907485 IKXDZNXFWLYQQW-AVCMKVNGSA-N 466.415 5.738 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 916912265 GMQWNUNZRZTYBP-QFIPXVFZSA-N 480.351 5.769 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nncn3-c3ccc(C)c(C)c3)n2)cc1 916972870 QORSMDHSPBYENW-HXUWFJFHSA-N 459.600 5.285 30 20 JKED N#C[C@H](C(=O)Cc1cc(F)cc2c1OCOC2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996663 NKISFNDYILMLEM-MRXNPFEDSA-N 463.317 5.541 30 20 JKED N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2cc(C(F)(F)F)ccc2s1 917044623 UGHDVVDUTMZYDU-PMZIWESGSA-N 483.353 6.225 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CSc3ccc(Cl)cc3C2=O)cs1 917560141 RRRXTSODTGHYOM-MDWZMJQESA-N 461.395 6.507 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C3/SC(=S)N(c4ccccc4C#N)C3=O)c2)cc1 917645031 REWWZPSTVOCRGV-HYARGMPZSA-N 471.563 5.225 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)cc1C 917660559 WVPOVZXSCQHHEP-ZFGGDYGUSA-N 494.636 5.030 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2cccc(C)n2)C1=O 917674497 TXIZKKQBCXEDIG-XMMPIXPASA-N 488.613 5.176 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3OC)N(Cc3ccsc3)C2=O)cc1 917694415 HOCDMBWLSFZIND-QFIPXVFZSA-N 495.626 5.316 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cccc(C)n3)C2=O)cc1 917695740 BTWKDRJGZFYXAY-QFIPXVFZSA-N 480.540 5.137 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccc(F)c1 917703942 SCHXPDJJIHGQAE-QFIPXVFZSA-N 494.498 5.136 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc1 918492453 SZTUAXOYBBWNFL-INIZCTEOSA-N 459.354 5.369 30 20 JKED COc1ccc(OCc2nc(/C=C3/COc4ccc(Br)cc4C3=O)cs2)cc1 920065642 CJJLQNJDBMWTGB-JYRVWZFOSA-N 458.333 5.152 30 20 JKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 920108866 BDXUHXVUNJTEOZ-LJQANCHMSA-N 453.361 5.432 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCc3cn4ccccc4n3)n2)cc1 920144138 XUSZYRQHLGUXNB-QFIPXVFZSA-N 480.549 5.535 30 20 JKED N#C[C@@H](C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 920804542 UUBUQOIPFVYLFD-YTBHAWNYSA-N 466.509 6.706 30 20 JKED COc1ccc(OCC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cc1 1785981673 KVCIZTWSOUJYMD-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)cc2)CCC1 1786069084 GRAIXCWMFDFGLL-QHCPKHFHSA-N 498.023 5.616 30 20 JKED O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1786697494 ZMNRSWBDYAOAJE-RDRPBHBLSA-N 493.991 5.345 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)cc2)CCC1 1787037942 NTRNIOKOBWUEIQ-IBGZPJMESA-N 473.573 5.029 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(=O)c4ccccc4o3)CCC2)cc1 1789449409 QEMSWNBETNAGSD-NRFANRHFSA-N 456.542 5.309 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)Cc4ccccc4Cl)CCC3)cc2)c(C#N)c1 1790472326 CQSAUNANXIILBB-UHFFFAOYSA-N 487.987 5.140 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(F)c4s3)CCC2)cc1 1790511394 AHNZGZNVDPATJO-UHFFFAOYSA-N 480.561 5.298 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5s4)CCC3)cc2)cc1 1790706213 OMPCEVULJPWVLH-UHFFFAOYSA-N 455.539 5.622 30 20 JKED COc1cccc(Cl)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790708184 SYQIYBKRVZQUBY-UHFFFAOYSA-N 473.960 5.476 30 20 JKED CC(C)(C)OC(=O)C(C)(C)CC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790764863 NDOCKPPSFJKUMY-UHFFFAOYSA-N 493.579 5.203 30 20 JKED C#CC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccccc3Cl)CCC2)cc1 1791204259 JACHRYZUVQPALY-JOCHJYFZSA-N 496.007 5.063 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCC2)cc1)C(F)(F)F 1791305631 XHBYNJVMRZGMRO-IBGZPJMESA-N 497.558 5.178 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3)CCC2)cc1)c1ccc(O)cc1 1791641685 FYUIGGORTKSSBU-QFIPXVFZSA-N 467.569 5.041 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@@H](C)C#N)c5)cc4)CCC3)c2n1 1792124897 NVODJQCQNVQEII-SFHVURJKSA-N 493.567 5.260 30 20 JKED C[C@H](Cc1ccncc1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126295 DMJZPSRHZFPTEO-RTWAWAEBSA-N 466.585 5.335 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)[C@@H](C4CCOCC4)CN5)CCC3)cc2)CCC1 1792229713 UVNVUXOASDOZPQ-RUZDIDTESA-N 498.627 5.064 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc2)CCC1)C(F)(F)F 1792340158 PNFOLKVEJSWJKE-KXBFYZLASA-N 497.558 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1Cl 1799226528 CFQSTFGKJRYTRC-QKPAOTATSA-N 472.910 5.518 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)C(C)(C)Cc3ccccc3)[C@H]2c2cccnc2)c1 1803026922 RQQLGESEKCDICE-MWVDVNALSA-N 494.639 5.297 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1803093676 WDWFVOJZEUCTPA-AUSIDOKSSA-N 489.513 5.328 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C3)cc1C#N 1803842654 MFNCIGUPXNOMPR-ACDBMABISA-N 486.399 5.218 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@H]1c1cccnc1 1805066479 NXISMBODJZGHEN-ATIYNZHBSA-N 488.607 5.528 30 20 JKED N#CCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1806289988 MLDVIPSBUKMAPQ-GGXMVOPNSA-N 474.649 5.365 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)C1 1806679379 MOLCXYOGGCBXAS-UHFFFAOYSA-N 455.451 5.066 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808545848 HFBPVNLRNFBCBI-LEAFIULHSA-N 480.612 5.232 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1808864007 LVOSXQUXXVUPAC-KCPMXOJXSA-N 498.583 5.102 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3occc3n2-c2ccccc2)[C@@H]1c1cccnc1 1811278592 WVQJUQKAIBFITE-BTYSJIOQSA-N 494.595 5.132 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1811304897 RGPFXJIJGAAYKV-ZBLYBZFDSA-N 482.609 5.024 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2F)[C@H]1c1cccnc1 1811400136 MNIRKACNMARPSS-GBXCKJPGSA-N 462.569 5.014 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2cccc3ccccc23)[C@@H]1c1cccnc1 1812043045 FUKONKYOJJPQGC-NGQVCNFZSA-N 491.591 5.923 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1)C(F)(F)F 1812221310 HSIJNAMMHWVBCD-GHTZIAJQSA-N 473.520 5.043 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1 1812803638 DFYFFKBGJXAJAV-UHSQPCAPSA-N 488.676 5.588 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3cc(OC)ccc23)n[nH]1 1814914468 KVNCOJZQVDEEHJ-HSZRJFAPSA-N 477.609 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)n[nH]1 1818598314 DTBUGBHHGUVFIC-OPAMFIHVSA-N 467.520 5.244 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1819309677 FTUCPZDELYWCMG-KIFXHHALSA-N 484.044 5.127 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)[nH]n1 1819311274 SSLIZZZAHGZKAT-LAUBAEHRSA-N 456.974 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(OCC(F)(F)F)n2)[nH]n1 1819553186 YNOCFEMRHHJUEC-GOSISDBHSA-N 493.530 5.044 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4cccnc4)cc3)n[nH]2)cc1 1821008483 JSPUWTDFPRSZID-SANMLTNESA-N 490.567 5.157 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n[nH]1 1821083554 PPSXHFWRGDLODR-FZKQIMNGSA-N 452.452 5.086 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274899 ROWQPKOIXQFGMJ-RKZJEGACSA-N 479.993 5.406 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523060 PVSHSMUXMVYDIW-RDPSFJRHSA-N 491.617 5.411 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1821987643 KFYCLLVKSBWFJF-INIZCTEOSA-N 474.405 5.085 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)nc2C)n[nH]1)c1ccccc1 1822652237 NCANWYQCFSLZQK-XNMGPUDCSA-N 497.643 5.244 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823213612 YMFZYNMHLNVYQX-XSZPLVAYSA-N 473.602 5.508 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)cc2s1 1824053727 CGWWJNAJMDPPCC-RUZDIDTESA-N 488.657 5.276 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2SCC)CC1 1824138149 WABZHGMQJWYNME-HSZRJFAPSA-N 455.668 5.195 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(N(C)C)cc2)CC1 1824144946 NVAJOOLLKKABLN-HHHXNRCGSA-N 465.682 5.073 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)CC1 1824421461 LGPPVCDPHQFTPN-UIOOFZCWSA-N 466.666 5.303 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1824511016 YNCLEOCQMYCGOO-HRFSGMKKSA-N 496.598 5.456 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1824827933 USXUPYSGWGFLRW-FOJYNEPKSA-N 489.582 5.469 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2CCCCO2)CC1 1824912163 BESLLTJCAPZQDN-XZWHSSHBSA-N 498.667 5.279 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826779846 ZLFZPNVXLYQHFM-OBOPQLKYSA-N 495.667 5.036 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4nc(C)sc34)CC2)c1 1828095906 IXBANPMYWFZOHE-RUZDIDTESA-N 486.641 5.332 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1)c1ccc(O)cc1 1828317118 HPSZFHJWTSRMPU-LSYYVWMOSA-N 497.639 5.304 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c4ccccc34)CC2)C1 1828508146 OXYUPOYYOYNKOD-VWLOTQADSA-N 495.461 5.802 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c(C)n1 1829533146 LFWZYRVPEWCTIC-XMMPIXPASA-N 498.549 5.136 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829821971 PFOIWUYXKQVMOJ-LVXARBLLSA-N 489.664 5.201 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829908299 WNUKLFJNQQYTBZ-ATIYNZHBSA-N 491.632 5.513 30 20 JKED CO[C@@](C)(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1cccc2ccccc12 1830161400 VYHBTHZKVDUQJZ-GGXMVOPNSA-N 487.644 5.015 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1 1830579019 PTHYERPDMHCPOA-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830628916 OWTVJCFFCDFXNG-CVDCTZTESA-N 481.687 5.228 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)CC1 1830632948 ATCZPUKBDJPBNU-RUZDIDTESA-N 461.606 5.343 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)c(Cl)c1 1830720541 AWEHYIUNNISYBU-IFMALSPDSA-N 477.983 5.270 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccs3)CC2)c(Cl)c1 1830720624 UCPYPARSVLHWJN-QHCPKHFHSA-N 470.038 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2Cl)N(C)C)CC1 1831210587 QKMOKBGYZUQQLB-ZSQFBXSQSA-N 486.100 5.331 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1831446990 BMQLDQKZHOMFSX-FQEVSTJZSA-N 472.498 5.459 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1)C(F)(F)F 1831455759 PHYMIMMBBQIKCZ-GOSISDBHSA-N 480.424 5.196 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)cc1C#N 1832390577 NXEDXOVNTMUFNH-VOHYGNEJSA-N 491.676 5.549 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1832632037 ZSVHHRARJLWIPF-ZTOMLWHTSA-N 496.655 5.661 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1 1832633422 HRMQXCPZJNJAIM-SKOFVLAMSA-N 469.629 5.351 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1832634612 XTXHDJVMWPNMGS-HXOBKFHXSA-N 499.442 5.563 30 20 JKED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C5CC5)cc4)CC3)CC2)c(Cl)c1 1838686081 WVIDLXTZZYASPD-UHFFFAOYSA-N 492.019 5.015 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)nnc12 3365198 QFIDWMJXZRZTAR-SFHVURJKSA-N 481.581 5.017 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)N(CCC#N)CCC#N)n2C2CCCC2)cc1 8929414 OVGQYGDCLYMUHF-UHFFFAOYSA-N 464.639 5.106 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172836 HKSNZLJQQSUXCP-UHFFFAOYSA-O 455.550 5.806 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccc(C)c(C)c1 11160098 TVVVVCZPIWCSHJ-UHFFFAOYSA-O 468.440 5.967 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 11170551 OQVUOQBUPYNJKN-UHFFFAOYSA-O 472.609 5.710 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)COc2ccccc2C#N)cs1 11211746 CTJLROKQWCXKEC-UHFFFAOYSA-N 476.341 5.128 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc3c(c2)CCCC3)c1C 11247202 OXZNEHNUHHZGAR-UHFFFAOYSA-O 494.612 5.165 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)OCc2ncc(-c3ccccc3)o2)c1 11684296 LRNQMQZVAVMZJI-UHFFFAOYSA-N 469.522 5.301 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)nnc1-c1ccc(C(C)(C)C)cc1 21475490 UOQWMLINRWNAIZ-INIZCTEOSA-N 476.602 5.123 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)NCCc2ccccc2)cc1 22735539 LEKLKLSPIBLJCL-UHFFFAOYSA-O 453.578 5.321 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)cc1 22829810 ALZDVGSTJNVVKO-UHFFFAOYSA-N 497.624 5.502 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Br)ccc1OCc1ccccn1 23622886 SIRZPGOEOGLBIR-JOCHJYFZSA-N 450.336 5.176 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1SCC(=O)N1CCc2ccccc21 32963656 OAMHGMJZZYYGLI-UHFFFAOYSA-N 489.600 5.415 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccc(C(C)(C)C)cc1 36802376 NFJFNLCOXYMXLW-UHFFFAOYSA-N 481.578 5.076 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 107831972 FLBDDLWGFUSURJ-HSZRJFAPSA-N 499.920 5.664 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1Cl 107876918 XFOZDWFIVYFWCZ-YKSBVNFPSA-N 499.954 5.023 30 20 JKED Cc1nc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)sc1SCC#N 117272540 NNWNEIBVTORLQX-UHFFFAOYSA-N 487.404 5.334 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)cc(OC)c1OC 303210953 RBXFKSWEOUALQB-UHFFFAOYSA-N 478.511 5.319 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 303327582 VRNKJCONDWJMGA-AWEZNQCLSA-N 458.012 5.118 30 20 JKED N#C[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1cccc(Cl)c1Cl 303385116 NLBXBGFEWKETQH-QGZVFWFLSA-N 466.777 5.606 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 303400693 ZWYSNTDPXPAWGE-LJQANCHMSA-N 457.599 5.725 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)cc2F)c1 409923999 RVLXLEZOYXZFCG-UHFFFAOYSA-N 464.924 5.617 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 480805724 LIHXXNZJJKLXHA-KBMIEXCESA-N 456.546 5.483 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 480975788 WTNONTNZQANFAL-XMMPIXPASA-N 459.521 5.118 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481685489 MKEQQQSSCJHFCK-UHFFFAOYSA-N 460.553 5.392 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCc2ncc(-c3ccccc3)o2)cc1 488028849 PZRDQOXZJKWEBZ-UHFFFAOYSA-N 453.517 5.904 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2[nH]c3ccccc3c2Br)cc1 490628440 QSYVFEQMYBDVHC-UHFFFAOYSA-N 460.331 5.828 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1 490686721 YVOJJYZVLLZAEH-UHFFFAOYSA-N 465.557 5.161 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1 490745223 KEOSRDAPCUVZNB-UHFFFAOYSA-N 468.376 5.163 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cccs2)cc1 493722432 HDNWBHGRUUSGDM-CLOONOSVSA-N 480.655 5.858 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1ccccc1SCc1ccc(Br)cc1 494148058 GVAVIPJKRBMLDX-UHFFFAOYSA-N 453.361 5.874 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 496395198 OIMBSCUYXXNLGN-UHFFFAOYSA-N 461.543 5.023 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cc1 499775446 APBDVTAXZGLRGA-DHIUTWEWSA-N 461.359 5.836 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccccc2F)o1 501165572 WDSPJUCWBUEAGW-UHFFFAOYSA-N 457.480 5.966 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1 501425177 ORTNWVGQJGSPOY-UHFFFAOYSA-N 468.509 5.765 30 20 JKED COc1cccc([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 510252709 HXXZBVGVLGXXOD-LJQANCHMSA-N 451.577 5.080 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCOCC1 510578581 KJRFTFMUVGTXBL-UHFFFAOYSA-N 499.611 5.519 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(I)c(F)c3)n2)cc1 511765698 VLCYMYKFIVUXRZ-AWEZNQCLSA-N 478.286 5.052 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 513389813 KUMDHMSAGGDPIK-AOYPEHQESA-N 490.003 6.217 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccc(OC)cc1 514518583 JDMNLXOOCNJBGM-JOCHJYFZSA-N 464.591 5.098 30 20 JKED CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccccc1Sc1ccccc1C#N 514595114 ZPDNSVGFPCKDJZ-UHFFFAOYSA-N 483.515 5.618 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccccc5)cs4)cc3)o2)c1 515542244 OIYXYBTVWDWPCB-JOCHJYFZSA-N 462.534 6.326 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1 515650931 BCUGAHJGCZUTDO-UHFFFAOYSA-N 464.978 5.276 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1 515653082 GQORSUQXVOZTRV-UHFFFAOYSA-N 481.596 5.142 30 20 JKED CN(C(=O)c1ccc(-c2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2)cc1)c1cccc(C#N)c1 516369316 OXZBTRDLKKMOBC-UHFFFAOYSA-N 470.532 5.650 30 20 JKED N#Cc1ccc(NC(=O)CNc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1Cl 516820722 JYDFPEWFSWQQPI-UHFFFAOYSA-N 490.844 5.672 30 20 JKED CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OCC)c2cccs2)cc1 517834395 GVTJJKWPTYWSGY-XMMPIXPASA-N 461.587 5.205 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccc(COCc3ccccc3)cc2)cc1 518593196 CZNAWUHAIKNIEC-UHFFFAOYSA-N 491.547 5.322 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2nccn2C)cc1 519988012 AULQLZNUZZKHDK-XMMPIXPASA-N 453.502 5.004 30 20 JKED CN1CCN(C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc2)CC1 524367049 HTVDMRCJWLYEHL-VPUSJEBWSA-N 488.035 5.106 30 20 JKED N#C[C@H](NC(=O)c1ccc(F)cc1I)c1ccc(OCc2ccccc2)cc1 556983488 CQKOQGYBSNRZJP-NRFANRHFSA-N 486.284 5.004 30 20 JKED N#C[C@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 590208699 YXSSFNGMKVEUEY-GOSISDBHSA-N 471.504 5.612 30 20 JKED Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3sc4c(c3C#N)CCCC4)nc2n1 600841877 QXQBSKSQVHEEDP-UHFFFAOYSA-N 474.615 5.098 30 20 JKED N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)c(-c2ccncc2)n1 602762908 XFMPZPFYEJRWCL-DEOSSOPVSA-N 454.921 5.283 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1Cl 604406629 HVQLMECPTCFYES-DEOSSOPVSA-N 479.024 5.688 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(C#N)cc1 604421028 BQFDPHQWAFQFQS-OAHLLOKOSA-N 495.461 5.037 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)Cn4cc(C#N)c(=O)c5ccccc54)cc3)sc2c1 609027862 HHMSEMSSPDWSQL-UHFFFAOYSA-N 450.523 5.097 30 20 JKED COCCOc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080001 QPAGJQKQRRZKTF-UHFFFAOYSA-N 465.937 5.138 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)n1 609207291 OILMCUHTSZZQEF-UHFFFAOYSA-N 450.589 5.550 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)n2)cc1 613314746 YLTADODYQRGTID-HNNXBMFYSA-N 453.449 5.208 30 20 JKED CCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 613403110 CQDGQEBDYPDPAP-GFCCVEGCSA-N 454.857 5.866 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(CC)cc2)c2cccs2)nnc1-c1ccoc1C 613908182 QGAAHDUPOFAGPG-QHCPKHFHSA-N 478.643 5.654 30 20 JKED COc1cccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1F 622518195 YDPWHOLUUXSTNA-MRXNPFEDSA-N 451.338 5.086 30 20 JKED CC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 642473553 AHGPYJSDNSWTSR-IAZYJMLFSA-N 479.343 5.695 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1ccc(-c2ccc(Cl)cc2)s1 725847332 IIEBQEMZVIMFGX-UHFFFAOYSA-N 458.952 5.287 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](C)c2c(Cl)cccc2Cl)n(Cc2ccco2)c1C 726029244 KNDRXVGXFXCQQA-AWEZNQCLSA-N 474.344 5.210 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 726323136 YMEBUYZCDYCZJZ-IMRCBTMISA-N 463.525 5.357 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N\[C@@H](C)c1cccs1 726421572 NXOCZPGYFDQQRE-QOTVRNNISA-N 459.637 5.337 30 20 JKED CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=S)Nc1ccc(C#N)c(Cl)c1)N(C)C 726479499 VSDBMQKRDRVZMG-OAQYLSRUSA-N 483.896 6.304 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc3c(c2)CCC3)cc1 726569732 IZZZNANRYVBIAY-UHFFFAOYSA-O 472.634 5.267 30 20 JKED COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(C#N)c(Cl)c2)C1=O 726628051 XGPVHILVFPSEIY-FRKPEAEDSA-N 465.781 5.389 30 20 JKED Cc1cc(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)c(C)n1-c1ccc(C#N)cc1 728268789 TUXVUWIUYXKQPO-UHFFFAOYSA-N 494.573 5.220 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cscn2)c1 728425144 KUZJMHMMYHPIMJ-QFIPXVFZSA-N 489.626 5.299 30 20 JKED Cc1ccc(-n2c(-c3ccccn3)nn(CN3CCCN(c4ccccc4C#N)CC3)c2=S)c(C)c1 728708999 MIDJYQZDDMPUOV-UHFFFAOYSA-N 495.656 5.124 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCCCC#N)C2=O)c1 728776850 BSHLCTBJOQBRMH-FRTKLUBASA-N 468.648 5.449 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCCC#N 728780165 OOGXDUIXBKCXST-NRFANRHFSA-N 452.555 5.042 30 20 JKED COc1ccc(CSc2nn(CN3CCC(Oc4ccc(C#N)cc4)CC3)c(=S)s2)cc1 728903451 NNHUFFLHLQTJLS-UHFFFAOYSA-N 484.672 5.348 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O)NC1CC1 729144154 CEEUDVVYGYWSJA-GGAORHGYSA-N 469.557 5.106 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(SC(F)F)cc1 730687483 XPEWLWSQSKZUPP-AWEZNQCLSA-N 465.934 5.545 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cocn3)C2=O)cc1Cl 730709540 UUEGYPWKMUTQON-NRFANRHFSA-N 498.992 5.114 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccccc2OCc2ccc(F)cc2)nc1C 731225327 ZDMREJGIORMKHB-UHFFFAOYSA-N 481.578 5.155 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)n(Cc2ccco2)c1C 731279540 ZHWJKAIEEFSDFU-DNQXCXABSA-N 467.525 5.057 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2c(c1)CCC2 731312169 IRRVNDRNZRZISH-BXKMTCNYSA-N 489.597 5.065 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)O)c2)cc1 746696720 WFBDYZQQZDZYQY-GOSISDBHSA-N 461.326 5.148 30 20 JKED COc1cc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)ccc1S(=O)(=O)C(F)F 747065978 GZODGHRPSYCHAF-BQYQJAHWSA-N 469.918 5.365 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCc1cc(C#N)ccc1F 808893973 CXPREQXYRSCTDJ-AWEZNQCLSA-N 479.558 5.440 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)c1 837642019 RFVZFOWPFCJONB-XMMPIXPASA-N 478.662 5.137 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 838094974 VFOMFHRJSBIOCJ-WZONZLPQSA-N 474.586 5.202 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@H](C)c2cccnc2)c1 838278861 GLPSPDHUBVRBRE-HOYKHHGWSA-N 488.613 5.374 30 20 JKED C[C@H](OC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C#N 843419115 QRFOWUSUPWXSIL-DGMVEKRQSA-N 456.342 5.179 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 857832245 NGIQVOHKKSGMJQ-NSHDSACASA-N 457.964 5.069 30 20 JKED N#CCCN(C(=O)CCc1nc(-c2ccc(OCc3ccccc3)cc2)no1)c1ccccc1 904423003 QJXFMICCPRYJMR-UHFFFAOYSA-N 452.514 5.195 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N([C@H](C)c2cc(C)sc2C)C1=O 914694406 JEXZUZPZWUGJFK-SJKOYZFVSA-N 485.553 5.092 30 20 JKED N#CC(CCOC(=O)c1occc1CS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1 914895932 QQCLEBBWUNOPQO-UHFFFAOYSA-N 485.561 5.310 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=S)Nc1cccc(COc2ccc(CC#N)cc2)c1 916026279 UFBJLGBHRGCATF-UHFFFAOYSA-N 457.643 7.387 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)ccc1O 916158123 YGMYURMAHITVCR-BAQGIRSFSA-N 485.895 5.116 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccc(F)cc2)C1=O 916210192 XXXZNCZRLAPUAD-HSZRJFAPSA-N 495.551 5.176 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1F 916214537 OHMDVCJAHMPSFU-LIRRHRJNSA-N 496.391 5.272 30 20 JKED O=[N+]([O-])c1cccc(-c2ccc(C=Nn3c(S)nnc3-c3ccccc3Br)o2)c1 916349540 OZUMWSGJQZILDB-UHFFFAOYSA-N 470.308 5.047 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F 916621796 ITQXNCLUZVHADW-AHKFDXCISA-N 462.468 5.359 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@@H](C#N)c3nc4ccccc4s3)[C@@H]2c2cccs2)cc1 916846210 LKTXPYHJIYDWOM-YZZKKUAISA-N 457.580 5.637 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(C2SCCS2)cc1 916907192 WWAZQQBZGFPKPS-HXUWFJFHSA-N 460.580 5.919 30 20 JKED COc1cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1c(C)noc1C 916916461 SZYRURGGVYGETE-BWSGXRDBSA-N 495.535 5.393 30 20 JKED N#C[C@@H](C(=O)CCCCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916932493 WSJUOZXLKUCSPQ-INIZCTEOSA-N 468.178 5.816 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 916933936 KLIVIMOAKCCOFG-HNNXBMFYSA-N 455.333 5.147 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c2cnn(C(C)C)c2n1 916939777 QYWBFBHCPBLXMI-LJQANCHMSA-N 489.938 5.741 30 20 JKED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1 917035209 OOJRRAYDPIQGMF-SKIIKRCTSA-N 464.974 5.158 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2-n2ccnc2)ccc1Cl 917127087 DVSDOTXPKKHZGA-UHFFFAOYSA-N 492.988 5.159 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)cs1 917562854 LJBORGYTRGPQBC-GXDHUFHOSA-N 478.520 6.787 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)CCC3)cc1 917611952 ADVXSHXYNBHDSY-UHFFFAOYSA-O 468.646 6.561 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccc(C)s2)C1=O 917664027 AYBVFLDLNWNWKP-JOCHJYFZSA-N 479.627 5.534 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccccc2C)n1 917664247 UZWKYYIBGYBYTG-JOCHJYFZSA-N 494.020 5.216 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cc(C)cc1Cl 917689647 AWGPQPFMSJOVBY-LJQANCHMSA-N 477.989 5.093 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@H](C)c2ccccn2)C1=O 917697807 PSYWXDLQLIJHIS-DYESRHJHSA-N 452.624 5.157 30 20 JKED N#Cc1c(NC(=O)COc2ccc(C3SCCCS3)cc2)sc2c1-c1ccccc1CC2 917775088 WNDGKLBEVZHWBL-UHFFFAOYSA-N 478.664 6.272 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CSCc1ccc(Cl)cc1Cl 920108692 IUYXSRIONXSVQP-AWEZNQCLSA-N 471.793 5.545 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1cccc(C)c1 920140379 FPEAOQVNMOJBQE-HXUWFJFHSA-N 484.610 5.237 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NCC2CCC2)[n+]2ccc(Cc3ccccc3)cc2)N=C1C 1321469200 FECLRKWTOSCFQR-UHFFFAOYSA-O 474.650 5.160 30 20 JKED C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1435091226 KGKVFTPAVDJGCJ-MRXNPFEDSA-N 456.527 5.260 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cncc(F)c3)cc2)CCC1 1787470890 FDHJKKPVECWOMT-UHFFFAOYSA-N 451.618 5.020 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4csc5c4CCCO5)cc3)CCC2)cc1 1788397446 BUNNRXVIEUTJJZ-UHFFFAOYSA-N 457.555 5.006 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5[nH]ncc45)cc3)CCC2)c(Cl)c1 1788443653 VVZFEVRFFMITOS-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@@H](C)CN3C(=O)OCc3ccccc3)cc2)CCC1 1789215899 HKXBMXXHWDLKQR-BWKNWUBXSA-N 489.616 5.134 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)cc2)CCC1)C(F)(F)F 1789294998 GLMLIGRVFCEXKQ-UHFFFAOYSA-N 496.411 5.219 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nc(C)ccc5c4)CCC3)cc2)c1 1790073169 PKPBUOGFXKJUJG-UHFFFAOYSA-N 490.563 5.485 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5c(Cl)cccc45)CCC3)cc2)c1 1790149059 QRUPUJJAJFTGBN-UHFFFAOYSA-N 457.921 5.083 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5scnc5c4)CCC3)cc2)c1 1790257229 MGDJITVNQRDXKU-UHFFFAOYSA-N 452.539 5.229 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)o3)CCC2)cc1 1790519906 LXKIKCKRIFIVBC-OAQYLSRUSA-N 481.593 5.195 30 20 JKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1)c1ccccn1 1790767819 OENHPVNAQYXSNB-QGZVFWFLSA-N 458.949 5.158 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5[nH]4)CCC3)cc2)c(Cl)c1 1790768038 YVKYYHFNOFKTEF-UHFFFAOYSA-N 469.932 5.149 30 20 JKED Cc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168327 NCEDMFDQDNAWTG-UHFFFAOYSA-N 472.545 5.012 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)CCC1 1792173677 AOUSVLPSXMNQCE-HNNXBMFYSA-N 464.459 5.183 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3cc(Br)ccc3c1)C2 1793052617 AVGHBHUOAQCIEY-KOUNCHBCSA-N 482.422 5.018 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)oc1C)c1ccc(O)cc1 1795131083 LCDVKMXPNQRMNV-GPJHCHHRSA-N 476.617 5.040 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 1797269636 LSCYDRAKNYGNJQ-KHUIQGCPSA-N 480.008 5.548 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Br)c1)C2 1798340089 LNABFLGSGLLLLP-MHORFTMASA-N 465.819 5.123 30 20 JKED N#Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)ccc1F 1800136549 AFSHMTQJDFNHOC-WKCHPHFGSA-N 481.527 5.091 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)cc1 1800514076 KJSPEYBAMSRWCW-VILGAWFOSA-N 487.003 5.185 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2CSc2ccccc2)c1 1800665073 LXIFONKFFNILPK-QEIWAGNOSA-N 481.621 5.416 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)cc1Cl 1800691707 UFHOTINAAYKJQF-REPLKXPHSA-N 486.399 5.218 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)nc2)[C@@H]1c1cccnc1 1802345651 VPPDJNOUBGQCAO-QPPBQGQZSA-N 462.638 5.086 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3cc(C)[nH]c23)[C@H]1c1cccnc1 1802496513 JDTOHAKCSGQWHE-DHLKQENFSA-N 458.606 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)[C@H]1c1cccnc1 1802500356 MWULYRJUDDEHIY-YKSBVNFPSA-N 494.039 5.003 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1)c1ccc(F)cc1 1803683301 BCKZTRIFZNAOAV-BEGWYFQMSA-N 461.581 5.144 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)C2)cc1 1804762898 OYSUAGROQMFHEP-UHFFFAOYSA-N 483.534 5.055 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CSc2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1806606838 COEMSRXWNPFMNU-RWPDHJIBSA-N 497.664 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1809276152 CLIJXBYSZZXSTJ-BKMJKUGQSA-N 470.617 5.250 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1810175166 STDZNUFLAXFPQH-BXTSTYNKSA-N 486.660 5.160 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810176037 YQOHKFWZHOILRG-MZKUHISZSA-N 477.674 5.265 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)C2)CC1 1810245552 IGBJXGSMJITEEX-GOSISDBHSA-N 469.029 5.096 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2ccc(C)o2)[C@H]1c1cccnc1)c1ccccc1 1810443986 NXUXYFJAOSDVRJ-ZFLFSAABSA-N 495.623 5.290 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3Cl)[C@@H]2c2cccnc2)C1 1810960246 SNWNQGWJGGHTQQ-KKSFZXQISA-N 477.914 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1811185997 JTMGXPDUDNFKRT-BDYUSTAISA-N 488.676 5.384 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccccc4)c(F)c3)[C@@H]2c2cccnc2)C1 1811438524 NFUCRYVLIKQYKP-HOFKKMOUSA-N 469.560 5.174 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812303096 QSNMGNQSGBUXBM-UTAZYMRLSA-N 467.569 5.513 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1812451271 OADHEIXNBFXOET-GCJKJVERSA-N 496.385 5.238 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1812759958 SZJQCLFUNWGSGL-TVCBXBRYSA-N 480.612 5.140 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1 1812809475 QUDWOJMNDXKECS-NVQXNPDNSA-N 478.612 5.409 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@@H]1c1cccnc1 1812955057 DEVSCCJYKBOVQY-YVCITRLUSA-N 485.550 5.211 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3C3CC3)[C@H]2c2cccnc2)c(Cl)c1 1813757781 YYLHMXLFGLMCRH-HFZDXXHNSA-N 484.987 5.117 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc4occc4c3)[C@@H]2c2cccnc2)c1 1813865551 GVYGZLMIAIIGGF-DSSGHVNRSA-N 478.552 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3sccc3Cl)[C@H]2c2cccnc2)c1 1813866429 RFSAJPGDTRGFQC-CNDZOEFASA-N 479.005 5.057 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(OC)c2Cl)n[nH]1 1814611790 VUQILWHBVWFAIJ-QFBILLFUSA-N 487.000 5.155 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)c1 1815244091 XCBNQGAJBOQJHR-ZJSXRUAMSA-N 477.634 5.040 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(Cn3ccnc3)cc2)n[nH]1 1815798437 JOQFAAUEDQAZIM-FDYGDTCYSA-N 498.631 5.128 30 20 JKED CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818117265 GDIRMXPYXYTXCE-FJHQEINZSA-N 456.612 5.119 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2Cl)[nH]n1 1818117431 PQRKNAVOVRLFBM-FVNWOWOISA-N 486.956 5.009 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1819356675 XSBRKNKXSZGCTE-YVIRBKRRSA-N 499.640 5.521 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)[nH]n1)c1ccccc1 1819518785 FKAVZOLWUNWMLN-GHTZIAJQSA-N 497.521 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)[nH]n1 1819554201 KSUMIIXTUQWFLG-SFHVURJKSA-N 465.520 5.065 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820088025 IJULJEYSASDZPA-WMZHIEFXSA-N 498.587 5.620 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)[nH]n2)cc1 1820554199 VTINZGKDRNUMNB-HXUWFJFHSA-N 486.334 5.347 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1820971129 YOEORTQBMHLXAI-UZLBHIALSA-N 497.983 5.430 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)[nH]n2)cc1 1821182704 YMIUWUZMRKBWIT-HSZRJFAPSA-N 498.974 5.297 30 20 JKED Cc1cccc(C)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1821193347 VTJCICDJSJNDAI-AUSIDOKSSA-N 455.562 5.273 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2O)n[nH]1 1821498524 BGTGBCNHBJJMLL-IBGZPJMESA-N 450.539 5.160 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(Br)cc23)[nH]n1 1821921845 VSCLAWSTQJGTGP-QVKFZJNVSA-N 498.425 5.101 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)[nH]n1 1821986928 TZLMUCQEINMAMA-JOCHJYFZSA-N 481.547 5.146 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1822576200 IGIQRYVISCIHQR-QFIPXVFZSA-N 471.001 5.108 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1823420234 MQJGYHCBEZYVQI-IBGZPJMESA-N 450.926 5.042 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc1 1823683768 MMYHSNXAKNZVBW-MHZLTWQESA-N 496.611 5.079 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(Br)ccc3Cl)CC2)C1 1823703461 ZSDFYFUQRSVEJV-JOCHJYFZSA-N 493.873 5.231 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Sc2cccs2)CC1 1824142356 PNIBRTUJSJRKJJ-KNQAVFIVSA-N 460.709 5.617 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)S)CC1)c1ccc(Cl)cc1 1824248989 KOIIJPWRGIMYEK-HSQYWUDLSA-N 451.076 5.018 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1824960539 OYZHIJLSNMRSPR-NOZRDPDXSA-N 460.659 5.104 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825423896 BQZQHVBTSDLXDE-RLWLMLJZSA-N 478.637 5.024 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)c(C)o1 1825878840 QHOVDLZESZHVFP-QHCPKHFHSA-N 498.421 5.078 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1825951318 JHDSILKPLYHDEI-DEOSSOPVSA-N 461.606 5.304 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cncs2)CC1 1826135328 FRBTVIALRGLPLZ-AREMUKBSSA-N 483.637 5.090 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827331793 GQHIAKPCQQZIHL-GJZUVCINSA-N 490.648 5.091 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681652 NZNJHBOBTJZOER-CZQLGGELSA-N 485.049 5.382 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827715621 ZCYKJBJZEYXZJV-DEOSSOPVSA-N 461.606 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828160092 AMJFJWFMYXXBKX-DEOSSOPVSA-N 471.592 5.672 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)CC1 1828525123 WOFHCRDXNVNENM-XMMPIXPASA-N 464.606 5.443 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3)CC2)c1Cl 1829688940 QBNNJAJKHOGZKJ-DEOSSOPVSA-N 464.009 5.078 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829906918 BRYDNDCLZHMZER-UGFFDMHVSA-N 499.611 5.424 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)c1 1829952168 GBAQPAHYZGKZLF-ANHREMPLSA-N 496.655 5.170 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830511181 MZZZQZDVZUXFTH-FNZWTVRRSA-N 461.581 5.308 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)s1 1830720803 YORVMPXAEPSANN-OAQYLSRUSA-N 456.011 5.129 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 1830722177 BSKKKHJBEGAODT-QHCPKHFHSA-N 470.400 5.412 30 20 JKED C[C@@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CC=CCC1 1830723460 JQSZNTQIKLJMLU-JYFHCDHNSA-N 454.014 5.191 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830754831 AQZSYUQANILLFW-HXUWFJFHSA-N 483.481 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177732 SHKOSRHILBPYNX-LJAQVGFWSA-N 499.655 5.563 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1831375299 SRBQNAACPWMBEW-NTKDMRAZSA-N 474.605 5.268 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1832029566 HXHZEHNNEUKFEF-MUUNZHRXSA-N 495.667 6.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 1832633496 HZRUFXBVEJEUTG-HOYKHHGWSA-N 481.999 5.653 30 20 JKED COc1cc(C)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635652 NMYAYLGINWXOAN-HFZDXXHNSA-N 473.617 5.178 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC(N2CCC(NC(=O)CCc3ccc(C#N)cc3)CC2)CC1 1833041137 DPBRGFDOSNYTTQ-UHFFFAOYSA-N 494.724 5.059 30 20 JKED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccccc3)cc1)C2)c1ccc(O)cc1 1846416561 AAHNJUGSFSRJSZ-RUZDIDTESA-N 494.591 5.199 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10172410 RBKZLNRLDSSCNA-UHFFFAOYSA-O 481.641 6.997 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccc(Cl)cc1 10831759 XWLORHIWHARJKZ-UHFFFAOYSA-O 472.033 6.908 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)nnc1-c1ccco1 14060023 NTCGBRPDBHEDEX-UHFFFAOYSA-N 451.577 5.195 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(CC)CC)cc2)c1 14872060 NTXRQVRDQWHMJQ-UHFFFAOYSA-O 476.622 6.399 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1cccnc1 18405344 WWHHIQUGVSLWED-GFCCVEGCSA-N 467.904 5.318 30 20 JKED CC(C)c1ccccc1-n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1cccnc1 20043773 VKIRDUCBOQUTQQ-UHFFFAOYSA-N 468.586 5.250 30 20 JKED CC(C)n1ncc2c(/C(O)=N/c3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)cc(-c3cccs3)nc21 22304533 CIRYJDVEYGKSIH-HOTGVXAUSA-N 496.662 5.443 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(NCc3ccccc3)s2)c1 23291233 BFYIJMPYXNDPIS-SFHVURJKSA-N 451.621 5.195 30 20 JKED C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2sc(-c3ccccc3)c(C)c2c1=O 25638580 RMMGDWPSKDUWTO-MRXNPFEDSA-N 486.622 5.709 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 28851866 HTEGNOIBBWYFMH-UHFFFAOYSA-N 491.063 5.754 30 20 JKED O=C(Nc1ccccc1)C(/N=N\c1ccc(C(F)(F)F)cc1)=N\Nc1ccc(C(F)(F)F)cc1 100406397 HKCXEZGKSNVPLS-ZXFHAVDRSA-N 479.384 6.872 30 20 JKED C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1)c1ccc(C(F)(F)F)cc1 195646529 ONLVHPOOSUXUFS-INIZCTEOSA-N 481.540 5.089 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C2CC2)cc1 254763543 KNXYPQDYKVKMEH-GOSISDBHSA-N 498.819 5.778 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)c2)c1 303051878 VODZNMYVLZVSDM-YADHBBJMSA-N 460.331 5.315 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCC(=O)N(Cc4ccccc4)[C@H]3c3ccccc3)CC2)c1 303187434 DYNHBJMUWBVZJZ-JDXGNMNLSA-N 493.607 5.108 30 20 JKED COc1ccc(Br)c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 303218927 ULRBWSJRTPOORI-JOCHJYFZSA-N 451.320 5.031 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 499153783 GVELXOHEIIMFTG-KRWDZBQOSA-N 459.933 5.097 30 20 JKED CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 500720871 NLWDULZQNKYWSX-UHFFFAOYSA-N 479.627 5.180 30 20 JKED CCn1c(SCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)nnc1-c1ccco1 501150771 NWOMKSLQSDJUEU-UHFFFAOYSA-N 475.549 5.203 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501687275 JMGIAXOQKQGGIF-UHFFFAOYSA-N 471.007 5.196 30 20 JKED CCc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c3c2CCC3)cc1 503187471 CUVNDWXQZDWAMC-UHFFFAOYSA-N 463.541 5.543 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 506886781 YDUHBMSVUOSXLV-CYBMUJFWSA-N 457.552 5.339 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c3cnn(C(C)C)c3n2)s1 509578316 HGQRDKRRNPAJKZ-UHFFFAOYSA-N 459.575 5.960 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 510231953 ZNTRAEYEHYIBQR-HOYKHHGWSA-N 492.044 6.312 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 511383164 MTFBNYPWKSJHFL-UHFFFAOYSA-N 454.574 5.071 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 511792718 ORCAOYMJHARXEN-HSZRJFAPSA-N 477.973 5.466 30 20 JKED C=CCN(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1nc(-c2ccccc2)cs1 514336701 LDDYOOSDZZAYNI-UHFFFAOYSA-N 451.555 5.436 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C#N)c4ccc(C(C)(C)C)cc4)CC3)c2c1C 517493944 MTXDOYJRBHDFLK-OAQYLSRUSA-N 461.635 5.203 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)n2)cc1 518516727 VFAYVVJFMZEUAP-RCZVLFRGSA-N 495.560 5.251 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2Br)on1 519314987 LGRNKACXLMYKRU-OAHLLOKOSA-N 468.332 5.424 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 520429141 HVDMIKIPSJSZQI-MRXNPFEDSA-N 467.522 5.922 30 20 JKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc(-c2c(F)cccc2F)cs1 521261077 NEGBOCDZQZVAIL-GFCCVEGCSA-N 483.374 5.428 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1Cl 521808503 IESSQJOZHZNIKN-XMMPIXPASA-N 479.024 5.688 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 522583199 NALVFBQQXIWFFX-QFIPXVFZSA-N 482.515 5.346 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)n1 523230082 NNYGKQPFKJXTMU-QGZVFWFLSA-N 480.542 5.987 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 523284388 IIPHSLFYUCXYGM-UHFFFAOYSA-N 488.975 5.171 30 20 JKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c2cnn(Cc3cccs3)c2n1 524121723 AGXXYVPUZDQQCG-UHFFFAOYSA-N 479.565 5.553 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 558795859 QFKZOSHUNDUVIB-XNMGPUDCSA-N 457.549 5.577 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Cl)cc1 561407980 KMENXNOKNGJNRT-QHCPKHFHSA-N 457.921 5.649 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCc1ccccc1 592994883 RBGWLYQCHJUOJQ-UHFFFAOYSA-N 489.000 5.285 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 602752664 YETLBNQGPISJOL-UHFFFAOYSA-N 488.594 5.149 30 20 JKED CN(CCOc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603692511 ZRANBUKKHDRIJU-UHFFFAOYSA-N 467.323 5.051 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)oc12 603706013 FXFWJMWHITXZAC-GOSISDBHSA-N 483.524 5.098 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)s2)c(C(F)(F)F)c1 603757712 IZWFBHQMCQZKEO-KBPBESRZSA-N 461.431 5.932 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(C(=O)Nc5cccc(C#N)c5)c4)cc3)o2)c1 603996009 ZKLWFEMPLOAKNS-UHFFFAOYSA-N 499.530 6.088 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](CCc3ccccc3)c3ccccc3)cn2)c1 604222158 STXUHAQPROMELL-AREMUKBSSA-N 476.536 5.174 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 608806298 GNHAMUIMNAFMTP-UHFFFAOYSA-N 484.474 5.227 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC3(c4ccccc4)CCCCCC3)cn2)cc1 609013733 YOMFRPAVIPPYLA-UHFFFAOYSA-N 468.557 5.092 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)o2)cc1 609057380 RORLNLBSSCCJBA-UHFFFAOYSA-N 471.900 5.888 30 20 JKED N#C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(OCc2ccccc2)cc1 609173824 YAILCGBGRRBAGN-DEOSSOPVSA-N 455.489 5.373 30 20 JKED C=CCn1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1[C@H]1COc2ccccc2O1 613907636 JUFNFEBYRZAJFJ-KBMIEXCESA-N 498.608 6.082 30 20 JKED O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618366012 VYJRWIHIIWVLOY-HTQZYQBOSA-N 461.175 5.272 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542743 DDKJXCWCHIMIPF-TXEJJXNPSA-N 484.334 5.698 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)ccc1Cl 619817924 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729146792 YKDTZAFRRJYZPM-LJQANCHMSA-N 486.569 5.199 30 20 JKED Cc1ccccc1-n1c(-c2cccnc2)nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c1=S 729471652 FPEBPUXQJXPXDJ-UHFFFAOYSA-N 482.613 5.146 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ncccc3C)C2=O)c1 729633442 DKPIBYAPAPMUDO-VWLOTQADSA-N 486.641 5.784 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)c(Cl)cc3OC)C(=O)N2C2CCC2)cc1 730460521 AAAOBNWJANPBHR-OAQYLSRUSA-N 488.009 5.178 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(SC(F)F)cc1 730487916 CXMCWBJKHBUEMN-IEBWSBKVSA-N 491.585 5.141 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1F 730695479 VGZLNSBVJCFRDO-CYBMUJFWSA-N 473.476 6.064 30 20 JKED O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 730740282 CYPMYQHIEQRZGN-UHFFFAOYSA-N 497.714 5.258 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 730944541 YAMWDCFIMAQDNW-BTYIYWSLSA-N 482.968 5.596 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731311444 BNLYFANNZAVUOR-RPBOFIJWSA-N 496.592 5.220 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731312577 MUQSZNDBZKUXBK-HSZRJFAPSA-N 459.571 5.448 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1ccc2ccccc2n1 743511838 JJCWTBZPKKYFDE-QHCPKHFHSA-N 493.032 5.040 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2)cc1 744916969 VBYFGTPQIRJYFI-UHFFFAOYSA-N 464.525 5.177 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 746693805 COBQLAWUJLAWEE-QHCPKHFHSA-N 460.603 5.092 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCOC2CCCC2)c1 747044166 OSQKTYBHEXMILA-HSZRJFAPSA-N 483.609 5.444 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1 747321326 MZLOYSCSDFBNFI-MUUNZHRXSA-N 487.559 5.199 30 20 JKED COc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cc1OCCCC#N 747361150 CMMBJIWMOKIUFD-JJIBRWJFSA-N 452.510 5.414 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(COc2cccc(Br)c2)o1 749360859 IVODRHYIRYOSLM-UHFFFAOYSA-N 476.330 5.370 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 837300291 DWFLYDFQEWPCQD-AVRWGWEMSA-N 498.583 6.095 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(-c2nc([C@@H]3C[C@@H]3C)no2)ccc1Cl 904819794 SKYZCDYGCBWJLM-DZGCQCFKSA-N 464.374 5.548 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccs2)c1 913117946 JRDPCMQJMCLLJP-JOCHJYFZSA-N 492.626 5.175 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(Cl)s1 914542909 JLYQGMQGRQRRQZ-MRXNPFEDSA-N 468.431 5.164 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)c(C)c1[N+](=O)[O-] 915085766 BQUGGEWOPREMFJ-RUZDIDTESA-N 465.513 5.364 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 916039540 SASSDQCEOJNJEI-UHFFFAOYSA-N 499.748 5.383 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2Cc2ccco2)c1 916207726 JOWPPDGMUGFNLI-FQEVSTJZSA-N 498.948 5.310 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CC3)C2=O)cc1Cl 916211387 NLKYTRBMWHSNBI-GOSISDBHSA-N 495.935 5.073 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)cc1 916213350 BLMXDSKGHWIXIQ-LJQANCHMSA-N 479.524 5.330 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2ccccn2)C1=O)Nc1ccccc1 916217890 XZORTXWSJAXLLJ-OAQYLSRUSA-N 499.423 5.591 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc12 916883577 NDQJVLHZCSZFTM-IBGZPJMESA-N 496.564 5.730 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916887804 RESBQPTZIQLEGG-IBGZPJMESA-N 496.495 5.483 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 916913576 XJBWWOFRCRWPGD-GOSISDBHSA-N 496.748 5.316 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 916914528 MRAJJIRJFQBMBT-NRFANRHFSA-N 496.430 5.805 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916927749 CQJGIABTZXEJKV-SFHVURJKSA-N 467.312 5.599 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1Cl 916940729 WHPBPDMMSMCKOE-ZWNOBZJWSA-N 457.766 5.484 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc(-c2ccccc2)cs1 917026104 WLAVXCGAGOEUCY-GOSISDBHSA-N 480.412 6.115 30 20 JKED N#C[C@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 917039849 FVPVLFVVHJOZFM-AUSIDOKSSA-N 481.955 6.784 30 20 JKED Cc1ccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2-c2ccc(Cl)cc2)cc1 917065422 ZLCQAUFWQWAXAH-UHFFFAOYSA-N 475.021 5.800 30 20 JKED COc1cc(C=Nn2c(C)cc(C)c(C#N)c2=O)ccc1OCc1ccc(Cl)cc1Cl 917568771 BRBGUEOBOCNFOV-UHFFFAOYSA-N 456.329 5.113 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 917662439 AQNOYPLEWVZVGN-HXOBKFHXSA-N 491.592 5.008 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC(C)C)C1=O 917704395 TYSGDYLCYLVAMO-HXUWFJFHSA-N 454.983 5.136 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 917706989 GMNKMKLFZBUPGY-AOMKIAJQSA-N 489.988 5.328 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1OC 918174108 RDOATORULHSLHN-YRNVUSSQSA-N 452.894 5.411 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 918401043 FETOKFPBDVOCTB-VWLOTQADSA-N 462.553 5.168 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918736963 ZYVNEIVLLAPUSA-ZIAGYGMSSA-N 498.468 5.338 30 20 JKED N#CCOc1ccccc1C(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 919815179 BTSVHDNCIHTUQS-OAQYLSRUSA-N 486.424 5.487 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)c(Cl)c2)s1 920171911 DDHKXSIDPNUQLB-SGTLLEGYSA-N 466.003 5.210 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1c(C)noc1C 920351934 FPCBCUFZTIVEFC-OAQYLSRUSA-N 462.575 5.069 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c1 920356361 SYPRAIWFZGWWKV-JOCHJYFZSA-N 480.565 5.208 30 20 JKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)Nc1ncc(Cl)cc1Cl 920636616 OMMFLUBPWAVNCU-AWEZNQCLSA-N 470.312 5.023 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(OC)c(OC)c3OC)cc2)CCC1 1786199488 HGZPTBHIBNHVLJ-OUQXZNHLSA-N 478.589 5.072 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)CCCOc3cccc(Br)c3)cc2)CCC1 1786308084 CQEOWNXLRQGLDR-UHFFFAOYSA-N 484.394 5.046 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3cccc(C(F)(F)F)c3)CCC2)cc1 1786679154 JCHQHLIBBVWPEC-UHFFFAOYSA-N 462.537 5.301 30 20 JKED CC(C)c1nc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)co1 1787026425 HOEGKROIXZSSPY-ZHACJKMWSA-N 463.559 5.046 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1 1787615111 SZVROVSYFMUZAU-JOCHJYFZSA-N 469.626 5.170 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c[nH]nc5c4)cc3)CCC2)c(Cl)c1 1788450093 NSVXXJQYYCDYBL-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789169657 KCWLLAHVJJEVOG-NZQKXSOJSA-N 481.637 5.146 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)cc2)CCC1 1789293069 QMAHHUHNLUIMDH-UHFFFAOYSA-N 468.479 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)[S@](=O)c3ccccc3)CCC2)cc1 1789458243 ROKFPQIPDUHJCZ-JNQQMQIUSA-N 464.631 5.085 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)cnc4Cl)cc3)CCC2)C1 1789686467 MKLWRYCJPATHBL-UHFFFAOYSA-N 474.786 5.211 30 20 JKED CSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1789928421 PUSUJLZINHZYGN-GOSISDBHSA-N 470.598 5.492 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C)CCC2)cc1 1790519954 OYXVHVMGEKOVOO-HSZRJFAPSA-N 495.620 5.504 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1 1790519977 QSSDBEYERICXBU-HSZRJFAPSA-N 495.620 5.206 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790592308 HYLYQLIKVIYCHD-UHFFFAOYSA-N 457.599 5.416 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(NC(=O)C5CC5)cc4)CCC3)cc2)cc1 1790707504 MMZFWYCVCLWBHY-UHFFFAOYSA-N 492.579 5.163 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 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C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)[nH]n1 1814828216 DAZJQYCBHSBNLU-NRFANRHFSA-N 471.001 5.075 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1 1815207886 NKAIQFMBWNJDHO-HXUWFJFHSA-N 478.515 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)oc2C(F)(F)F)n[nH]1 1816469690 SQCKSOULRIYTQI-QGZVFWFLSA-N 466.504 5.628 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)c1 1817590412 GTMCGEBKIRXNFE-RUZDIDTESA-N 480.572 5.010 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)c(F)c2)n[nH]1 1817766382 ZJRNNHZXOOLVDC-REWPJTCUSA-N 499.587 5.010 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3nccc-3c2Cl)n[nH]1 1817917483 OJOMRUFRWWVWOX-GOSISDBHSA-N 468.989 5.189 30 20 JKED CC1(C)CCc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)[nH]n3)c2O1 1817941159 MHPQYTPDOSYMCC-HSZRJFAPSA-N 483.572 5.005 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occc4c3)n[nH]2)c(Cl)c1 1818707855 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N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c(Cl)c1 1821277214 NMQFISSCSVONEE-OAQYLSRUSA-N 493.354 5.080 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3sccc3Cl)[nH]n2)c(Cl)c1 1821277390 YPRJEXLDPMUOEZ-QGZVFWFLSA-N 474.373 5.269 30 20 JKED COc1cc(C)c(C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1821341698 QIESTCGEMUGLTR-NRFANRHFSA-N 491.979 5.180 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)[nH]n1 1821922777 POLXAZZYMUOHTG-ACJLOTCBSA-N 466.916 5.183 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(Br)cc2)n[nH]1 1822219010 XKTGASGOWJRFCW-GUVPVLFASA-N 471.399 5.090 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)[nH]n1 1822400495 NLRFFVPTDFHPQM-JOCHJYFZSA-N 496.970 5.760 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1)c1ccc(O)cc1 1822469343 HKIBGMQFZRNRCN-HYBUGGRVSA-N 496.567 5.365 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4cnccc4c3)[nH]n2)c1 1823215488 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C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)CC2 1826425076 JULDMKJFCQATGU-GOSISDBHSA-N 486.597 5.304 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827264586 IPXHPGMQFMFRQZ-QHCPKHFHSA-N 492.044 5.235 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3cccc(F)c3)CC2)cc1 1827353052 DNWNPQVMXNPATQ-MHZLTWQESA-N 496.586 5.306 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)ccc2[nH]1 1827683959 SAUIABDJYOLNRF-HBRDYDSTSA-N 489.641 5.210 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)c1 1827986993 LHRCFFDVJDLRAE-UTKZUKDTSA-N 453.970 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 1828827641 ZYMSZGBOMQARBS-TZIWHRDSSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1828827794 VGFGSKCVRACSRR-PKTZIBPZSA-N 462.556 5.707 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1829069705 BQBKVTBWFPYHRR-HSZRJFAPSA-N 470.654 5.238 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)C1 1829572551 XPFOOQNEJRXZAN-DEOSSOPVSA-N 471.601 5.627 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)CC1 1830716732 JPOPBEZQOLSXFS-VWLOTQADSA-N 467.629 5.537 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4[nH]c(C)cc4c3)CC2)c1 1830770478 YAORVFZKVLZJFP-MHZLTWQESA-N 468.601 5.204 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 1831444292 JQVMXVCMUPFFAN-XMMPIXPASA-N 454.561 5.213 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1)C(F)(F)F 1831450276 LIQKTBCBKQUXJR-DAWZGUTISA-N 468.482 5.093 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1831849312 SGCSKWLEGYBVDF-HHHXNRCGSA-N 482.628 5.267 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2Br)CC1 1832031751 WTRYIUSBIDAECF-NRFANRHFSA-N 493.873 5.529 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1832629497 SGGHTPMCIPEKMG-DWACAAAGSA-N 482.628 5.051 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)CC1 1836839563 WMRBEZHRPLPBBT-HXUWFJFHSA-N 494.598 5.239 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1838759567 XYDHGSACEKATAH-FCHUYYIVSA-N 467.654 5.142 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)s1 1845513333 ZBQFXVYWTCXEKL-UHFFFAOYSA-N 475.536 5.067 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)C1 1845558438 VSVCLNNHQDYIDD-NRFANRHFSA-N 481.637 5.236 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1F 10146199 AVKYZGSSKUAGQZ-UHFFFAOYSA-N 470.879 5.673 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2CC)cc1 11159880 OZGJCFFTYKDWML-UHFFFAOYSA-O 458.434 6.457 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2scc(-c3cccs3)c2c1=O 11382869 FWFMTTAGEVPSOP-UHFFFAOYSA-N 481.668 6.029 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1Cl 14133505 NAIQZTVEBHTHEB-UHFFFAOYSA-N 463.390 5.567 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)c1nc(-c2ccccc2)cs1 15608264 UIMKSAFUHWBUBT-UHFFFAOYSA-N 477.611 6.092 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)ccc2C)c1 16020558 HUWGFTGIZGOYPQ-UHFFFAOYSA-N 454.979 5.590 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(OC)cc1 16864985 BYJGGIRKZQJYII-CQSZACIVSA-N 462.497 5.278 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccnc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 16866210 SHEDLRQTOUFPQD-OAHLLOKOSA-N 456.015 5.596 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2cc(Cl)ccc2c1=O 17674029 GVARECDZUDOMGI-GFCCVEGCSA-N 469.910 5.047 30 20 JKED C[C@@H](c1nnc(SCC(=O)Nc2ccccc2SCC#N)n1-c1ccccc1)N1CCCCC1 21726239 ZWGFHMNPCKEZCX-IBGZPJMESA-N 492.674 5.161 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 22137482 LEZNHIVKIUUZSX-QYBDOPJKSA-N 479.650 5.419 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)s1 22726994 VJWCUHOWTFPCJX-UHFFFAOYSA-O 461.607 6.125 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)c1 23338885 JGYFRUIAKINVPQ-JOCHJYFZSA-N 496.640 5.682 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)c1 23353181 KCIRKPPZISADFM-UHFFFAOYSA-N 477.973 5.522 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CC)CC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 23626080 ZQJUJXBKRNMUKH-HNNXBMFYSA-N 459.612 5.108 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 24449297 HSJJEPYAQZBZSO-UHFFFAOYSA-N 493.510 5.089 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccoc1C 24703583 NQJSPXNWNUCHMF-CQSZACIVSA-N 469.567 5.414 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c1 26514540 NACSPOGKTJYYRJ-MRXNPFEDSA-N 458.509 5.693 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2cc(C(=O)NC3CC3)c3ccccc3n2)ccc1Cl 31782977 LUWKEMOQRRUNBH-UHFFFAOYSA-N 479.005 5.128 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nn(-c2ccccc2)c2c1CCC2 72052200 MSNRRHHADVOVBV-UHFFFAOYSA-N 461.566 5.149 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2c2ncnc3sccc23)cc1Cl 97547274 YYBJQSLAIOKGBJ-IFMALSPDSA-N 473.989 5.608 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(NCCc3cccs3)s2)c2ccccc21 105335244 QRQAUQMBBQYMBI-UHFFFAOYSA-N 453.618 5.098 30 20 JKED COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1 109527509 ZQTOZEHGTDCDJY-ACXJOVJBSA-N 451.570 5.742 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCCc3nc4ccccc4s3)s2)cc1 247659204 RDOOAQXZFUGONX-UHFFFAOYSA-N 451.602 5.273 30 20 JKED Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1I 303030623 NVOOMKILZPCSDO-UHFFFAOYSA-N 454.267 5.516 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](c3ccc(F)cc3)c3ccccc3Cl)CC2)c1 409525070 GNYIKSYLXLHDKQ-VWLOTQADSA-N 490.966 5.500 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)CC2)c1 409540946 LLDFKXXTAGTURE-HSZRJFAPSA-N 479.005 5.423 30 20 JKED C=CCN(C(=O)c1cnc2cc(C)nn2c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476173648 SXOQOCHDKRJTTQ-UHFFFAOYSA-N 458.374 5.609 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc(OC)c1OC 481683959 IVTIKZDTWYYDSZ-MRXNPFEDSA-N 479.508 5.185 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 485415580 VNRCRMZRDXPNBK-UHFFFAOYSA-N 471.944 5.952 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 498760407 ZDNFLDQYKCLLIC-LJQANCHMSA-N 484.622 5.272 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 499042504 FQOXBIHSPRJTQA-UHFFFAOYSA-N 452.377 5.202 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 501021201 USMCDCSGUPVPGO-RUZDIDTESA-N 483.955 5.899 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501447889 GAYKLDPMXVSYCQ-UHFFFAOYSA-N 487.556 6.067 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc2ccccc2n1C(F)F 502691175 HFGIUGACVIJAIN-IBGZPJMESA-N 478.524 5.944 30 20 JKED Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 503618081 ZPSYFLODUMRWBR-UHFFFAOYSA-N 475.976 5.132 30 20 JKED CC(C)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)c(Cl)c1 505072869 BBIIQQAXCYAGMU-UHFFFAOYSA-N 473.360 5.771 30 20 JKED C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 506294832 LIBKNHHUKMSNTH-HFZDXXHNSA-N 454.574 5.289 30 20 JKED C=CCN(C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 508909431 VSUTVRUNFUVAJE-UHFFFAOYSA-N 496.633 5.493 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1 510538804 OFAFCMKWDGVFCJ-UHFFFAOYSA-N 460.622 5.054 30 20 JKED CC(C)[C@@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccccc1Cl 510745999 ISAYZCPCQUWKLS-HXUWFJFHSA-N 479.993 5.197 30 20 JKED C=CCn1c(SCCOCC(F)(F)F)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 512533326 CKDYUXGZTZLARS-UHFFFAOYSA-N 458.502 5.430 30 20 JKED CCN(Cc1ccccc1)C(=O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 512728276 LNWVKIMLTKXPKU-HSZRJFAPSA-N 460.965 5.166 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2ccco2)C(C)C)nc2scc(-c3cccs3)c2c1=O 514525879 DZDPZPSPZRWMFG-LJQANCHMSA-N 485.656 5.399 30 20 JKED C=CCN(C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)c1nc(-c2ccccc2)cs1 514892138 VZRGSNGHPPKDCO-UHFFFAOYSA-N 469.570 6.229 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(C)C)cc1 516298416 QHTBQHRROZVGBX-RUZDIDTESA-N 457.530 5.120 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)[C@@H](C)c1cc2ccccc2o1 516711280 VWTOBJJCLYLPPD-SFHVURJKSA-N 468.513 5.430 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 517455574 SQTZBZQKCFQLHN-MRXNPFEDSA-N 486.018 5.645 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3cccc4ccccc34)CC2)cc1 520178418 IASJGKWEIDGQBL-UHFFFAOYSA-N 451.570 5.975 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(NC(=O)NCc4ccncc4)c3)c2)cc1 520538038 XCRXPEDWFMWEGB-UHFFFAOYSA-N 463.497 5.320 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OC1CCCC1 521260513 FHJWOSUOPVTZJK-MRXNPFEDSA-N 454.498 5.908 30 20 JKED COc1ccc(Sc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2)cc1 521783981 BANODATXFVISHK-UHFFFAOYSA-N 459.571 5.512 30 20 JKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(Cl)cc2)CC3)n(CCC#N)n1 523661195 GTQNVRQNJLACGX-KNTRCKAVSA-N 467.960 6.046 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 524164224 QYFICEIQLFHRBZ-UHFFFAOYSA-N 489.912 5.021 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524383717 SPSVLDKAUCKKBR-UHFFFAOYSA-N 450.454 5.350 30 20 JKED N#C[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1cccc(Cl)c1Cl 524572745 RDGLTMYPCNCFTL-INIZCTEOSA-N 481.202 5.803 30 20 JKED CC(C)(C)c1csc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)n1 550530558 QCPNJKICNXXMMC-UHFFFAOYSA-N 450.589 5.295 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(Br)cc1 553356768 BARVYWHLCWQPTB-UZLBHIALSA-N 458.425 5.476 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)nnc1-c1ccc(Cl)cc1 558478070 VXRUOTQGAYZESI-OAQYLSRUSA-N 493.036 5.425 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1 588250161 RPCNBRWCXHHTGL-HXUWFJFHSA-N 467.013 5.111 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc(-c2c(F)cccc2F)cs1 589831219 YEUPITUFIUBVCT-LBPRGKRZSA-N 457.914 6.355 30 20 JKED C[C@@H](CCC(=O)Nc1ccc(F)cc1C(F)(F)F)CC(=O)Nc1ccc(F)cc1C(F)(F)F 590253162 LVVKMIYJCHECDH-NSHDSACASA-N 482.371 6.386 30 20 JKED CC(=O)Nc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccc1C 603672472 GUOAKSMDLKHWDJ-UHFFFAOYSA-N 458.465 5.144 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(NC(=O)C4CCCC4)c3)c2)cc1 604084716 FFIWMOHJLUIDDN-UHFFFAOYSA-N 482.584 5.782 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1N1CCCCCC1 604131963 ODXFKOWOTBFTPS-UHFFFAOYSA-N 472.383 5.117 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604561879 SMQQTLODKSSQIU-NRFANRHFSA-N 493.361 5.886 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(CN4CCCC4=O)c3)cc2Cl)c1 609079932 NYAWFWLNKXFLIQ-UHFFFAOYSA-N 488.975 5.235 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)cc1 609126215 CHNGAMJDUBXASU-HOTGVXAUSA-N 456.386 5.990 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Cl)ccc1I 609428620 XPUFWYSWQQEXKE-NSHDSACASA-N 456.736 5.591 30 20 JKED CC(C)Cn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2c1=O 613320223 UZIAQDGBWGAWIN-LJQANCHMSA-N 462.962 5.319 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 619972969 HIXXNGFEXUCXER-MRXNPFEDSA-N 470.501 6.146 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 726117500 ZHWSBHHAYICLRD-IERDGZPVSA-N 481.647 5.303 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2)c1 726412585 PINJYGOYTXPXPS-HSZRJFAPSA-N 475.520 5.107 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cscn1)c1cccs1 726418807 BEFSBOCXCOLHES-QNIFVBKVSA-N 491.063 5.448 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3c(C)noc3C)C2=O)c1 726422444 WCRRXGFACVULEO-SHZNUGFISA-N 496.658 5.560 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)NCc2cccc(C(F)(F)F)c2)cc1 726480180 GPHDPAILPCUYGF-UHFFFAOYSA-N 457.496 5.793 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(Br)cc3)cc2F)c1 728200495 IOJSMNOUNZHGSF-UHFFFAOYSA-N 454.299 5.089 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccco2)cc1 728425977 HIRSXRQFYDZVPN-QHCPKHFHSA-N 488.569 5.099 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCCCC#N)C1=O 728776475 CAEZIFPZSHTJFT-HXUWFJFHSA-N 489.428 5.956 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CCCCC#N 728780411 SJNBMQGXULKFOK-XMMPIXPASA-N 486.597 5.503 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 730687939 YRDBTJOWXIXULI-XHDPSFHLSA-N 460.386 5.638 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCCc2c[nH]c3ccccc23)C1=O 730724476 NDLWITLTZVLOJN-DEOSSOPVSA-N 470.598 5.022 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C\c1ccc2ccc(Cl)cc2n1 731068891 DBVJFTALTVQOPE-SNGWPZLWSA-N 465.962 5.335 30 20 JKED Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNc2ccccc2S[C@@H](C)CC#N)cc1 731351880 FNIHBRZJYCNJJK-FQEVSTJZSA-N 472.614 5.370 30 20 JKED COc1cc(/C=C2/SC(=NN=C(C)c3cccc4ccccc34)NC2=O)ccc1OC(=O)C1CC1 733783183 ZCILRBGHCNILAG-WSBXKYOISA-N 485.565 5.148 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1 746696257 LMPQWQKRADVGGU-HSZRJFAPSA-N 454.555 5.328 30 20 JKED CC(=O)Nc1ccc(/C=C2/CN(c3ccccc3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 747316794 CQYYOYFQUARCSM-DRPBVWSQSA-N 465.553 5.160 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c1 747601770 HEFNYBMZUQXSEZ-HXUWFJFHSA-N 482.606 5.048 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCc2ccccc2)cc1 748172602 KNQNAXGBPGPVDY-UHFFFAOYSA-N 450.585 5.309 30 20 JKED Cc1cccc(-n2c(SCc3nc4ccccc4c(=O)n3CC#N)nnc2-c2ccc(Cl)cc2)c1 768682806 IFYIOXKCDOLHOK-UHFFFAOYSA-N 498.999 5.422 30 20 JKED COc1ccc(-c2nc(SC(c3ccc(F)cc3)c3ccc(F)cc3)nc(O)c2C#N)cc1 824940913 FQJFUFGDLACHKE-UHFFFAOYSA-N 461.493 5.889 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)cc1 837301006 NORIEKUBHOKRMI-NRFANRHFSA-N 481.574 5.250 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3cccnc3)C2=O)cc1 837397203 CXWZLQDEONZBLJ-DVECYGJZSA-N 488.613 5.510 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837638946 CCWRAFPSXTVWTK-FDDCHVKYSA-N 476.577 5.559 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1F 838596229 NXSCIISVGVOSRO-QFIPXVFZSA-N 483.540 5.115 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl 912828544 XUOYDIFCFXHLCP-UHFFFAOYSA-N 499.855 5.053 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@H](c2ccccc2)C2CC2)C1=O 914549207 BSTHSXLPOPBZKF-UYAOXDASSA-N 462.402 5.212 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@H](C)Cc2ccco2)C1=O 914691722 RADRKIBSFHUMFJ-ZHRRBRCNSA-N 481.549 5.019 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)c1 914692102 UYLIWZMIUUJWBK-HTAPYJJXSA-N 465.550 5.319 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)c1 914956618 SGCCDHKMKIGBTA-UHFFFAOYSA-N 493.947 5.214 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)sc2n1 915085803 CIKRNQRDQUMHFZ-LJQANCHMSA-N 458.543 5.063 30 20 JKED N#C[C@@H](C(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 915102130 SEXIJYQZAKUPSA-BOURKTIISA-N 498.955 5.585 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 915353603 PHBWALOLVKRYSV-MUUNZHRXSA-N 474.564 5.485 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 915592827 VGMAJANVYACSSJ-INIZCTEOSA-N 497.523 5.079 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)cc2OC)o1 915849024 NKIKFUBCTWYXMX-LPYMAVHISA-N 492.553 5.162 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 915861513 BMPKOWIUQKOSNU-HXUWFJFHSA-N 455.392 5.444 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccccn3)C2=O)cc1Cl 916205189 IKBFRGVSRZOEGV-NRFANRHFSA-N 498.967 5.043 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCOC)cc1 916214113 KNTGAXZGQSANPW-FQEVSTJZSA-N 493.551 5.265 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(C3CCCC3)C2=O)c1 916217205 HYXSIOWEMCQWCQ-QHCPKHFHSA-N 481.618 5.224 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CCc2ccccn2)C1=O)Nc1ccccc1 916217545 PDLRPLAJKMYERT-OAQYLSRUSA-N 498.530 5.303 30 20 JKED COc1ccccc1Nc1nc(Cl)c(C=Nn2cnnc2SCc2ccc(Cl)cc2)s1 916546200 FQQCZNGUMUQXIU-UHFFFAOYSA-N 491.429 5.968 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl 916902854 KXRNFVJMPXNEGN-GFCCVEGCSA-N 467.761 6.140 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c(-c4ccc(F)cc4)c(C)sc3=O)n2)cc1 916975297 XFQPHCAKBCRCFE-LJQANCHMSA-N 463.559 5.333 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(C)s3)cc2OC)cc1 917042791 DKTRAGZLUWDWND-WUXMJOGZSA-N 451.544 5.377 30 20 JKED CCOc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(F)c3)=C2C)cc1 917379208 ZKCHBMXUHPWGJX-RUZDIDTESA-N 486.572 5.445 30 20 JKED CCCCc1oc2ccccc2c1/C=C/C(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 917505457 YTMSTQVRCIFPBZ-DKUDOZJNSA-N 495.583 5.082 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(F)c(-c2cccs2)c1 917543616 UHMLOZGYDUJVDN-UHFFFAOYSA-N 454.552 5.294 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cs1 917560629 UAQQEXRQPXRHGO-JAFZKPNWSA-N 463.490 5.705 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cs1 917563950 SZJGZXBAKCBNBC-MDWZMJQESA-N 469.006 6.802 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C)s3)C2=O)cc1 917701938 BHQANFFMWAZKNJ-QFIPXVFZSA-N 474.611 5.397 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3c(C)noc3C)C2=O)c1 920353945 WZEIDFHNPKNBFW-HSZRJFAPSA-N 492.601 5.077 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2c(F)cccc2F)cs1 920805336 CDBGOXLJDJBZPI-OAHLLOKOSA-N 484.915 5.991 30 20 JKED N#CCCn1cc(C(=O)OCc2ncc(-c3cccc(Cl)c3)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 920905146 NEEXIEJKRYMPBH-UHFFFAOYSA-N 477.864 5.037 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 920983588 LVYDSFLCFGRQLQ-JOCHJYFZSA-N 499.608 5.055 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 921133136 TYMCFPLOUMBZGR-SNVBAGLBSA-N 454.335 5.587 30 20 JKED Cn1c(O)nc2ccc(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)c(C#N)c3)cc21 1630193734 KNPXJVOQFFEWFH-UHFFFAOYSA-N 452.392 5.214 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc4sccc4s3)C2)c1 1778976284 IKSLMMGSBLMRSO-UIIQVKDUSA-N 493.654 5.031 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)sc2Cl)C1 1779883518 GTDHFLWHIADEOU-OPAMFIHVSA-N 473.466 5.175 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)C1 1781674002 QGXRBAPSCSGQDO-CLCZQPDDSA-N 485.068 5.044 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4Cl)cc3)CCC2)cc1C#N 1785756282 MGZMAGKKPHZAEU-UHFFFAOYSA-N 488.975 5.455 30 20 JKED CCOc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1785768596 JJFTZRPYJRYZAE-IBGZPJMESA-N 468.557 5.169 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc([N+](=O)[O-])ccc5s4)CCC3)cc2)C1 1785810507 XGEKEWSRZGORRC-UHFFFAOYSA-N 461.543 5.523 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)cc1 1785881556 CKPNZAVWQDQBPH-UHFFFAOYSA-N 454.555 5.091 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccc(C)cc34)CCC2)cc1 1786364929 ZOSOVFBQKBMXDP-UHFFFAOYSA-N 459.590 5.136 30 20 JKED O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CCC2)cc1 1787876673 QFOLHQHQUCGTSA-UHFFFAOYSA-N 462.365 5.545 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(-c6nccs6)noc5c4)CCC3)cc2)CC1 1787880527 SQLREVCCOOMCJC-UHFFFAOYSA-N 483.553 5.003 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)CCC2)cc1 1787888868 KCCUKTAZXUSBEE-UHFFFAOYSA-N 496.592 5.455 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)on1 1788359124 VOEKYCFJVHEAFW-UHFFFAOYSA-N 497.477 5.145 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccc(Br)cc34)cc2)CCC1 1789194302 ISKQNJYPFPSLII-UHFFFAOYSA-N 493.405 5.157 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3OC)cc2)CCC1)c1ccc(O)cc1 1789874840 MJINQDLNKIPKPA-JOCHJYFZSA-N 497.595 5.049 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)c5c(nc4c3)CCCC5)cc2)CCC1 1790078551 LXZRZBHBMJXEQC-UHFFFAOYSA-N 487.003 5.818 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCN(C(=O)OC(C)(C)C)[C@H]4C)cc3)CCC2)C1 1790476443 GPVCKXWJQUQOJW-CVDCTZTESA-N 481.637 5.122 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)[nH]4)CCC3)cc2)ccc1F 1790520465 XJDXBFUGQVVAAO-UHFFFAOYSA-N 484.453 5.035 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1 1790645736 DKDBDBBLSRDTSN-HNNXBMFYSA-N 464.459 5.183 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791250472 QRTKNSFGSHEDOB-SFTDATJTSA-N 497.680 5.616 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4F)cc3)CCC2)c(Cl)c1 1791368608 SRMQNSNKOSNDCK-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](O)c4ccccc4Cl)cc3)CCC2)c1 1791748026 YJJLOCPRUXOSNQ-IQGLISFBSA-N 487.987 5.448 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)c(F)c3)cc2)CCC1 1792186852 QQFIHQCOSRPBMN-SFHVURJKSA-N 481.568 5.163 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)c1 1792940793 YBZCNTVAGYBVOE-BKFWDETESA-N 492.579 5.184 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C3)c1 1792941370 VRFRJDCFACPMRT-ACDBMABISA-N 489.925 5.115 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1C(F)(F)F)c1ccc(F)cc1C(F)(F)F 1797019681 AGGQWBZOPZZHLK-CLLJXQQHSA-N 478.364 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(-c4ccccc4)ccn3n1)C2 1798331612 RSKTXXOFXCPSNF-OUJSJNLKSA-N 468.601 5.022 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(-c4ccccc4)cn4ccccc24)C3)c1 1800683599 FURZNUNUTPYYNN-NUNAXRQHSA-N 492.554 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(C)c3[nH]2)[C@H]1c1cccnc1 1802496471 IYPYQNXBVMIWGJ-DHLKQENFSA-N 458.606 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1802501091 SKDZODHMYXRPLZ-KNQAVFIVSA-N 457.977 5.186 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1Cl 1802729734 JOKUXMLSZJXMCM-BVAGGSTKSA-N 496.127 5.414 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1803093083 OSPDWQNYMDUQPY-MBSDFSHPSA-N 473.951 5.101 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccoc1C(F)(F)F 1803860918 UJEFTLSWFAWMPS-CLLJXQQHSA-N 478.364 5.022 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1804173760 APTUDYDYHLJMPT-UZUQRXQVSA-N 486.062 5.189 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c(C)oc4cc(O)ccc34)CC2)C1 1804858850 PPKDNMXIUVSSKO-UHFFFAOYSA-N 452.595 5.284 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)N1CCC2(CCCN(C(=O)C(C)(C)C#N)C2)CC1)c1ccccc1 1805050689 PRRFYRVXAPMTKL-SANMLTNESA-N 494.724 5.123 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)C1 1806020457 VNRXMXKNHGPUGL-YNEXMFEJSA-N 487.084 5.436 30 20 JKED CC(C)(C)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1806307001 DUSZCTBCJAHDMZ-PXJZQJOASA-N 479.624 5.237 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(O)c3cc2OC)[C@@H]1c1cccnc1 1810183903 YOXJHIIGJNODCE-MVOZIGHISA-N 499.611 5.037 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1810273312 ULLXUYKPZSGEPX-JYFHCDHNSA-N 487.676 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1810501989 GGCHUUGVBDTZQP-CUNXSJBXSA-N 495.623 6.293 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c(Cl)c1 1811752601 QLRMVZWIMUKHMX-AMGIVPHBSA-N 499.014 5.119 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c1 1811752658 RNQUEBSQXMSRAS-YADARESESA-N 493.394 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1811996475 BDUCQOIHHIPCCL-REHUZNOOSA-N 486.443 5.785 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)s1 1813869811 RAJMQUKJAOUWHS-KYQOTHRWSA-N 484.625 5.112 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)[nH]n1 1814824090 KSJCJSVIZRNFND-VWLOTQADSA-N 492.620 5.232 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1815653710 KZEVXJYICLFABK-GOSISDBHSA-N 483.560 5.036 30 20 JKED CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1)c1ccccc1 1816736315 LFPLZAFYULRXLX-UKILVPOCSA-N 469.589 5.100 30 20 JKED CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1)c1ccccc1 1816740855 UNBDJLDLMKUFLY-BFMBIBTESA-N 469.589 5.536 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(C(F)(F)F)coc3C)n[nH]2)c1 1818290409 HSMBDFLBYIFSSQ-LJQANCHMSA-N 485.466 5.130 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccnc4ccccc34)n[nH]2)c(Cl)c1 1818444278 GTEKSWNFMKKPSQ-HSZRJFAPSA-N 484.947 5.103 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@H]1CCc2nc(NC(=O)c3cc4sccc4s3)sc2C1 1819003403 LIANXMPJLZEKSI-FYJFLYSWSA-N 499.664 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)[nH]n1 1819302046 YKDYILDAQJEHFN-DENIHFKCSA-N 459.550 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)[nH]n1 1819305107 CUEDDIGZSWXUPL-QAPCUYQASA-N 469.636 5.464 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1 1820716470 YWPZBNUEJHSSOR-HSZRJFAPSA-N 485.588 5.106 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)CC1 1820976956 DLIFUYDWKLFVSZ-DEOSSOPVSA-N 475.637 5.513 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4c(-c5ccccc5)cn5ccccc45)sc3C2)C1 1821271854 OBABQDVEQBTVCW-FQEVSTJZSA-N 482.609 5.255 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)[nH]n2)cc(C(F)(F)F)c1 1821310240 OYSGYCHKJFKSJQ-SHBDEGQCSA-N 485.510 5.352 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822313628 XYYQAOKCZDFLBS-SFHVURJKSA-N 485.610 5.095 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)[nH]n2)c1 1823210322 CVMHVASJQOSVSA-HOYKHHGWSA-N 485.563 5.214 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1 1823379689 LPSNCSDQUVNPBF-SFHVURJKSA-N 460.365 5.025 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)cc1 1823684798 FIVUQRNJDHAGTF-AREMUKBSSA-N 469.585 5.171 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1823885063 DJNYMQDLXHKBST-VWLOTQADSA-N 461.581 5.276 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1823992365 PTINAFGGZMTGFX-BCHFMIIMSA-N 496.026 5.582 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1 1824054530 YCBNBYPCNOFCNA-MUUNZHRXSA-N 469.629 5.302 30 20 JKED COc1cccc(-c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c[nH]2)c1 1825435951 RFQQVLDHBATFTQ-NDEPHWFRSA-N 496.611 5.109 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cnc2C)CC1 1825451848 XQLMUZDWCNLKFG-GMAHTHKFSA-N 488.470 5.154 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825645280 HJSHGJZLSSTERG-QFIPXVFZSA-N 485.770 5.305 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cncs2)CC1 1826135329 FRBTVIALRGLPLZ-SANMLTNESA-N 483.637 5.090 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826438469 AYCQLJMLSYZEMB-VGSWGCGISA-N 467.437 5.204 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1828822139 FOHNRHYAVQMEMI-ZJSXRUAMSA-N 493.475 5.760 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(OC)cc2Cl)CC1 1829068077 CPGNJAFYFGWQDG-XMMPIXPASA-N 475.073 5.503 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1829519939 BGJPGSDBMBDJNL-GDLZYMKVSA-N 492.623 5.476 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1)C(F)(F)F 1829519960 BXJUGEJCSWAHHZ-HSZRJFAPSA-N 471.523 5.100 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)ccc2c1 1830718915 ONUPBXFJBKQDDY-MHZLTWQESA-N 484.575 5.101 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1830753814 BRVVPNDGOJGIHY-HHHXNRCGSA-N 484.644 5.096 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1831854651 LGXNHYBYHWBHKC-JOCHJYFZSA-N 482.974 5.325 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 1832031303 JLHRGMWPWPDVLC-JOCHJYFZSA-N 495.408 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(N(C)C)cc2)CC1 1832056026 WVGMMGLHXKJBMY-SXOMAYOGSA-N 465.682 5.073 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1 1832634832 PDWNKGBNXOXAON-FDDCHVKYSA-N 498.549 5.275 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCCCCCC(=O)OC)CC1 1832830243 PRTHEZOIHSKPTH-RUZDIDTESA-N 474.686 5.094 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832988450 JOGGKNYCAUHMMN-VTQQXGRRSA-N 495.667 5.669 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3C3CC3)CC2)CC1 1838424166 QGDMPCNDFZERMM-UHFFFAOYSA-N 452.639 5.169 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCc3ccccc3)CC2)CC1 1838791160 GHSBOWNWOIEBII-UHFFFAOYSA-N 468.682 5.535 30 20 JKED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)C1)c1ccccc1 1843491366 VMQGBFVIYRIHQF-NRFANRHFSA-N 485.550 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)C1 1845280034 JGLPSZCUHHYZOB-LOSJGSFVSA-N 464.556 5.470 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c[nH]c2nc(-c3ccccc3)ccc12 1847264229 IQWORAZVFCBOPL-ZEQRLZLVSA-N 456.590 5.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 1847265996 DBIMPSOICKMARB-CRNKYVSFSA-N 499.699 5.096 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 9751345 ZRIRQWUYKRDSJT-MRXNPFEDSA-N 494.667 5.634 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc3c(c2)CCCC3)c1C 10172619 VHUGVOADRYFABC-UHFFFAOYSA-O 490.649 5.252 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2Br)nnc1-c1ccc(Cl)cc1 10240149 REJMFGFCEGQHJG-AWEZNQCLSA-N 491.842 5.517 30 20 JKED N#Cc1cccc([C@H]2NC(=S)NC(c3ccc(Br)cc3)=C2c2nc3ccccc3[nH]2)c1 10355848 QEJJZNRWUCQKCO-JOCHJYFZSA-N 486.398 5.284 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(SC(F)F)cc1 11114094 AMNANWRIGGZKRU-UHFFFAOYSA-O 485.645 7.026 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCc2ccccc2C#N)cc1Cl 14640118 LNDMUZDNSJCRAJ-UDWIEESQSA-N 465.987 5.959 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1ccccc1)c1ccc(Cl)cc1Cl 15247538 PXHRLLHIZNIPOB-UHFFFAOYSA-O 481.222 6.094 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1 21088676 ODJIBLSHHUFFCF-NRFANRHFSA-N 464.591 5.005 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 22012026 UFYYVOAUUHYANT-ZDUSSCGKSA-N 463.390 5.566 30 20 JKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc3c(c2)CCCC3)c(Cl)c1 23604671 MLASKINBASMEES-UHFFFAOYSA-O 467.058 6.119 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnc(-c3ccc(Br)s3)o2)n1 27870089 ZRCFQUREBXMPQC-UHFFFAOYSA-N 461.288 5.447 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2sc3c(c2c1=O)CCC3 28381359 LQERKYBHTUSTNZ-UHFFFAOYSA-N 499.967 5.536 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccnc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 96766362 RLHMENVYTNPLOR-NTMALXAHSA-N 470.447 5.413 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Br)cc2)cs1)c1ccc(F)cc1F 96924458 QMDCIWUMIYXYNF-CLFYSBASSA-N 463.303 5.765 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n2CC)cc1 218671656 DDCMWGGVYGRPQR-MRXNPFEDSA-N 494.690 5.352 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 303089808 CTKATHCEEUOMPP-JOCHJYFZSA-N 460.534 5.219 30 20 JKED CCN(C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)[C@H](C)c1ccc(C#N)cc1 410287352 OSJRDTJZACQWNO-QGZVFWFLSA-N 476.374 5.796 30 20 JKED CC(C)(C)[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(F)cc1 483698831 MHGHGDHNPOWDBN-OAQYLSRUSA-N 450.514 5.065 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccccc2Br)o1 499060513 VJGHXQBIKJNOTM-UHFFFAOYSA-N 450.336 5.123 30 20 JKED C[C@H](Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1)C(=O)N(C)CCC#N 501494171 FVUGECSXRDYALW-INIZCTEOSA-N 494.587 5.267 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc([C@H](C)CC)cc2)c2cccs2)cc1 502961776 LPWNCWNJUMJGDR-KOSHJBKYSA-N 475.614 5.022 30 20 JKED C=CCn1c(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)nnc1-c1cccnc1 503731783 ANNHTWKPOXRBRT-UHFFFAOYSA-N 451.555 5.649 30 20 JKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 509292325 YMGZYFFAPHVEOW-UHFFFAOYSA-N 461.949 5.523 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 509998028 PFXAQOXQHLGCQW-QFIPXVFZSA-N 488.956 5.305 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)s2)cc1 510229260 GVAZKMIORIWVCG-SFHVURJKSA-N 455.996 5.724 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CCC(C)CC2)nc1 510731205 DVPZLIYKJBISFO-UHFFFAOYSA-N 455.562 5.612 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 512545478 OREZVFWQEYIKGL-UHFFFAOYSA-N 490.566 5.311 30 20 JKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 517820036 DVYYKWRUEGOZEC-UHFFFAOYSA-N 475.854 5.478 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518235160 NGBVGCJEDFBXLY-AWEZNQCLSA-N 454.313 5.414 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC3(c4cccc(Br)c4)CCC3)cc2)c1 518260757 UJXRTASUBPQCMJ-UHFFFAOYSA-N 490.357 5.247 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 518676726 NUUHEIZBWIWDGJ-PGRDOPGGSA-N 451.592 5.029 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(OCc2ccccn2)c1 519080764 NUZKRRGAJWKHCA-FQEVSTJZSA-N 492.535 5.140 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OCc1cccnc1 519991525 PEFYHVNYAHNSLI-UHFFFAOYSA-N 465.509 5.976 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCCO5)n3)n2)cc1 520942690 LCKNKAQOUZSKAG-KRWDZBQOSA-N 470.535 5.067 30 20 JKED COC(=O)c1c(NC(=O)CNc2ccccc2S[C@@H](C)CC#N)sc2c1CC[C@@H](C)C2 520943800 MQTIYSRMROGRJV-CABCVRRESA-N 457.621 5.104 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 521797658 RXXLMAWJBDNVHT-AWEZNQCLSA-N 472.433 6.148 30 20 JKED CC(C)C(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 523200755 NOZQRYJRXOOHBP-GCJKJVERSA-N 452.986 5.012 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCC(C(=O)N4CCSCC4)CC3)cc2Cl)cc1 523201710 LVEUVOCPABHLGJ-UHFFFAOYSA-N 499.036 5.260 30 20 JKED CC(C)c1ccc(Sc2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2)cc1 523684619 YRLRXFWTDUODAN-UHFFFAOYSA-N 464.612 5.386 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cc1 524166740 YRBNVUNMIBGGBW-UHFFFAOYSA-N 498.995 6.404 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 524439244 NSHHQNHYBLXEMW-UHFFFAOYSA-N 482.584 5.180 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)cc2)c1 562868661 MIZMOPDXDOLBNN-LJQANCHMSA-N 458.493 5.372 30 20 JKED N#C[C@@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc(-c2ccc(Cl)cc2)cs1 589244848 RVRIFVUBMRJPKR-KRWDZBQOSA-N 453.951 6.140 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-n4ccnc4)cc3)s2)c(C(F)(F)F)c1 603671894 GWYUNYZMUUAHOW-UHFFFAOYSA-N 453.449 5.062 30 20 JKED CCOC(=O)c1c(NC(=O)c2cccc(CC#N)c2)sc(C(=O)Nc2ccc(C)cc2C)c1C 603730970 UZTFBRRWOQSJKV-UHFFFAOYSA-N 475.570 5.421 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc(OC)c1Br 603991952 ICWDVWRLFWSEFJ-UHFFFAOYSA-N 469.360 5.417 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 603992320 QUIGCINSLKWJMG-UHFFFAOYSA-N 475.570 6.121 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cc1 604000854 KTGAPEQNAXUUDS-UHFFFAOYSA-N 481.892 5.217 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(NC(=O)c4cc5ccccc5o4)cc3)c2C#N)C1 604382507 OVCWAFRQEMFGDA-MRXNPFEDSA-N 469.566 5.924 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 604458877 FBSYXXNBSOTWHY-HXUWFJFHSA-N 463.553 5.385 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 604506852 VSASQPZVMALEMH-DEOSSOPVSA-N 478.390 5.268 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2F)c1 604541397 UVPVSDWWQHLQLW-VWMXVWASSA-N 467.516 5.059 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cccc(OCc2ccccc2C#N)c1 604570210 BOXHIICZANXKCG-UHFFFAOYSA-N 469.516 5.636 30 20 JKED CCN(Cc1c(F)cccc1F)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 608797169 LGTYUQRFMCTWCF-IBGZPJMESA-N 467.903 5.261 30 20 JKED COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)C2)c1 608840621 BPMFXOXIFYJKIV-FQEVSTJZSA-N 472.545 5.016 30 20 JKED CCOc1c(Cl)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609061582 DYQSOSTXPAOPKS-UHFFFAOYSA-N 450.922 5.759 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 609078485 UDEZRMSRVMTRDK-UHFFFAOYSA-N 486.547 5.011 30 20 JKED N#Cc1ccccc1COc1cccc(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 609432730 NHWCIWDJHXUVJW-SANMLTNESA-N 493.529 5.609 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 609435244 AJRGJXMAANWHHX-LBPRGKRZSA-N 457.909 5.382 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CS(=O)(=O)c4ccc(C)cc4)cc3)n2)cc1 613318952 KGAIDXOPCOJOHN-XMMPIXPASA-N 486.618 5.891 30 20 JKED CC(C)OCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)oc2ccccc12 613319561 HEINDXXTAXJICX-SFHVURJKSA-N 450.947 6.625 30 20 JKED C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613344948 YHGAZZNZNPBODJ-UUWFMWQGSA-N 470.381 6.201 30 20 JKED Cc1ccc(-n2ncc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2C2CC2)cc1Cl 613403364 GCXFRVBOEHIVEY-INIZCTEOSA-N 465.891 5.946 30 20 JKED C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 642637182 UWRLXUQISCJWQD-OLRMPSLUSA-N 450.345 5.975 30 20 JKED O=C(C[C@H]1S/C(=N/CCc2ccccn2)N(C2CC2)C1=O)Nc1cc(Cl)c(Cl)cc1Cl 726107233 ANGZZXNGPKNRII-QXOGVRMXSA-N 497.835 5.076 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCC2=CCCCC2)cn1 726116397 DPXZMCYXSQHEKZ-HSZRJFAPSA-N 479.650 5.371 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726408916 JJNPUJDIWOIDFL-QGZVFWFLSA-N 494.976 5.507 30 20 JKED CN1C/C(=C\c2cccc(OCCCC#N)c2)C(=O)/C(=C/c2cccc(OCCCC#N)c2)C1 726740058 QMTLKAQMMJLDJW-MUPYBJATSA-N 455.558 5.033 30 20 JKED N#C[C@H](C(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 727626807 GBWGXVQJULZQHW-LJQANCHMSA-N 468.431 5.658 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c1 727650717 RGQFQQOFKMEONC-XMMPIXPASA-N 484.581 5.058 30 20 JKED COc1ccc(-c2csc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1OC 727983492 UAYPRDDGIRNFMK-UHFFFAOYSA-N 461.499 5.123 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CCCCC#N)C2=O)cc1 728780812 ZXJPRPICQVNCIB-XMMPIXPASA-N 470.598 5.802 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729569988 AAQURKREQBBVKC-UHFFFAOYSA-N 479.499 6.281 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729890303 YDSCOZSFPLMYSD-SECBINFHSA-N 458.153 6.476 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1c(C)noc1C 730442098 QVWTVOSQIQLDGU-QFIPXVFZSA-N 494.592 5.250 30 20 JKED N#C[C@H](C(=O)CCc1cc(Br)cs1)C(=O)Nc1ccc(SC(F)F)cc1 730686620 NTHSTLIRYUAJQA-CQSZACIVSA-N 459.337 5.105 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(Cl)ccc2s1 730686697 HXHUUNYYNSOUCK-ZDUSSCGKSA-N 462.358 5.200 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2cc(C)sc2C)c1 730712499 MKNYQFLQTIGAPM-OXQOHEQNSA-N 479.631 5.185 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)C(=O)N1Cc1cocn1 730718979 UGFDXJCRZOZSKE-OAQYLSRUSA-N 498.992 5.060 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2cc(C)sc2C)c1 730726746 JEUHESZQJUVOIR-MGPUTAFESA-N 497.621 5.324 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCOCC2CC2)C1=O)Nc1ccccc1F 730944962 JIKYBBNCOVESPK-XMMPIXPASA-N 491.588 5.366 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccc(Cl)s2)C1=O)Nc1cccc(O)c1 731305456 CRXOCLRMIJGZRD-LJQANCHMSA-N 486.018 5.310 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)s2)cc1 731305950 QNQOKKVLHLNTFN-OAQYLSRUSA-N 465.600 5.231 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CC(F)(F)F)c1 731313246 UZGCJOMZBWEVOS-SFHVURJKSA-N 465.497 5.038 30 20 JKED CCOc1ccc(N2C(=O)/C(=C\Nc3ccccc3S[C@H](C)CC#N)c3ccccc3C2=O)cc1 731339245 RLMUYWHYGXGKQN-VZMLSGIISA-N 483.593 6.120 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCN(CC4CCCCC4)CC3)c2)cc1 744780418 BNVIDHGZMGZXHB-UHFFFAOYSA-N 460.622 5.498 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S 745162548 RJFGXQDTLOKRGL-UHFFFAOYSA-N 473.005 5.636 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 745268270 YWCUFGYDTCBBJA-INIZCTEOSA-N 466.390 6.101 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)cc2F)C1=O 745583305 DPDLOAILHPHWQL-QFIPXVFZSA-N 499.514 5.273 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2csc(Br)c2)c1=S 747788157 FINUPANZKCZCRA-UHFFFAOYSA-N 453.406 5.320 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 748989614 UKBMPVYMXQSSFD-HHHXNRCGSA-N 466.585 5.041 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(F)(F)F 750395448 OMWCUQFOMRQUMJ-CQSZACIVSA-N 489.277 5.223 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1-c1ccccc1 750908442 AMDWXXJWGHLSIE-RUZDIDTESA-N 487.625 5.158 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)nc(O)c2C#N)cc1 824953481 KJMPRLVXJNMNRB-LBPRGKRZSA-N 489.384 5.006 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1ccccn1 837302549 XXIQYJXNGSXWQM-VGSWGCGISA-N 462.550 5.251 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837366929 DACAWNYADHEWNT-YADARESESA-N 472.614 5.927 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1C 837412259 AECXKLIQHKQGSV-GAJHUEQPSA-N 494.567 5.698 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccc3C)C2=O)c1 837553505 ZBOLAXWKQMSUHN-DEOSSOPVSA-N 489.597 5.173 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1[C@@H](C)c1ccccn1 838188243 YWYIYIIPUSVYKX-MHECFPHRSA-N 488.613 5.374 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1OC 838504130 UMTDVTOXXQWCID-GOSISDBHSA-N 465.497 5.084 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1F 838570107 ATYGMLLKBASGAW-KRWDZBQOSA-N 469.435 5.130 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CC(F)(F)F)C1=O)Nc1cccc2ccccc12 838576786 NKEVEZBNLLAMQU-IBGZPJMESA-N 493.457 5.641 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 896723125 LHKDKNQGDRYNDP-UHFFFAOYSA-N 497.985 5.436 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)c(Cl)c2)cc1 914543261 HKVYXSGEBFWLGQ-OAQYLSRUSA-N 490.000 5.067 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 915022231 YQIMFCIKPKJIIO-NRFANRHFSA-N 469.541 5.048 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)C)n2)cc1 915100292 OPVYRCCJOKBWHV-JTHBVZDNSA-N 470.598 5.160 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915101708 KCNZLMNGUHCHCU-QUCCMNQESA-N 484.046 5.500 30 20 JKED CCOC(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 915102509 VHSUXAWMQISUTQ-IUODEOHRSA-N 452.363 5.162 30 20 JKED COc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 915104884 WGUQJVUDBNUDOF-HNNXBMFYSA-N 472.448 5.183 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1F 916214534 OHMDVCJAHMPSFU-IFXJQAMLSA-N 496.391 5.272 30 20 JKED COc1ccccc1[C@H]1[C@@H](C(=O)Nc2cccc(OCC#N)c2)CCC(=O)N1c1ccc(C)cc1 916410988 LOVJWHCKJHLJEZ-IGKIAQTJSA-N 469.541 5.029 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c1 916697115 YFDAZLBYXLKJDZ-LCQNATCMSA-N 482.650 5.166 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)COc1cccc(C#N)c1 916878610 QDTUHBYUZCBMAI-UHFFFAOYSA-N 466.493 5.265 30 20 JKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 916887138 RUUGYRVTWGNDQI-HXUWFJFHSA-N 469.393 5.925 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 916914601 OPLFZPODVFCKQE-VWLOTQADSA-N 478.552 6.016 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)N2CCCC2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996541 KMAQBQRAIYAHOG-KRWDZBQOSA-N 477.417 5.221 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1 917020783 OXJHBCBPZYKORB-SANMLTNESA-N 497.595 5.226 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)c(Cl)c2)cc1 917613711 QVPTZSTVOARRKD-UHFFFAOYSA-O 497.471 7.379 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc2ccccc12 917653757 REAICQROFIUUAA-DEOSSOPVSA-N 475.614 5.453 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](c1ccccc1)C1CC1 917702586 GFWWKNTZUOBPAZ-AZGAKELHSA-N 480.593 5.670 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2csc(COc3ccccc3)n2)c1 918710740 AZYYYXHQBCHNLP-UHFFFAOYSA-N 479.631 5.495 30 20 JKED C=CCN(C(=O)COC(=O)c1scnc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919415543 BPIAPOJGPVCOKJ-UHFFFAOYSA-N 488.805 5.603 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 919514332 TWYUZNZCGXWHKE-UHFFFAOYSA-N 478.810 5.198 30 20 JKED CCCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)c1cc2ccccc2o1 919766033 WWNXLLQLQRJHED-LJQANCHMSA-N 481.618 5.032 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C2CC2)[C@H]2CCc3ccccc32)c1=S 919943723 SBFNZBMUYRLDON-URXFXBBRSA-N 460.603 5.222 30 20 JKED N#C[C@@H](C(=O)C1=Cc2cc(Br)ccc2OC1)c1nc(-c2c(F)cccc2F)cs1 920806906 SGTQZYWRRJNZDQ-AWEZNQCLSA-N 473.298 5.503 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)CCO2)C1 1779240836 HNVZECGZCLUBQR-LJAQVGFWSA-N 496.648 5.076 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)cc2)CCC1 1786139813 YTVDCZSAUPZRQP-IBGZPJMESA-N 469.626 5.050 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(OC)c3)CCC2)cc1 1786369334 YAEWCZOJUGFADE-UHFFFAOYSA-N 456.970 5.079 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)nn3C)CCC2)cc1 1786370684 ACPGIQIYKPWCMG-SFHVURJKSA-N 493.007 5.079 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H](F)c4ccccc4)cc3)CCC2)c1 1786616162 ZSRHMFUYMYUYNO-XMMPIXPASA-N 457.505 5.025 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cncc3Cl)CCC2)cc1 1786676489 LBLUJNDUOSWUHW-UHFFFAOYSA-N 450.391 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3=CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786712193 ZZSFPTBEGMFBRD-XMMPIXPASA-N 493.648 5.456 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)(F)F)c4)cc3)CCC2)c1 1787213570 FAKFUYGQPTWGTO-KRWDZBQOSA-N 492.501 5.789 30 20 JKED Cc1cc(-c2cc(C(=O)NC3(c4ccc(NC(=O)CCC#N)cc4)CCC3)n[nH]2)ccc1Cl 1787886264 PRFLROKYGLKBCC-UHFFFAOYSA-N 461.953 5.090 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)cc2)CCC1 1788501349 CYXHWVNQHOBPPQ-QGZVFWFLSA-N 480.996 5.678 30 20 JKED Cc1nc2ccccn2c1C(=O)Nc1ccc(C2(NC(=O)C#Cc3ccc(Cl)cc3)CCC2)cc1 1788923612 FBUVMBKPSILGRT-UHFFFAOYSA-N 482.971 5.096 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cn4ccsc4n3)CCC2)cc1 1789508079 JOYQUEWOTGTXAC-UHFFFAOYSA-N 478.694 5.195 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5s4)CCC3)cc2)c1 1790257073 FREGBYPEHMPBKS-UHFFFAOYSA-N 452.539 5.229 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)nc2ccc(Cl)cn12 1790708778 UVTRCFLJBLOZGF-UHFFFAOYSA-N 497.986 5.424 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC)c(OCC5CC5)c4)cc3)CCC2)C1 1790740748 PPSQEOODOBYZHR-UHFFFAOYSA-N 460.574 5.198 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)s1 1790764242 QVEYXIGITUVXMW-UHFFFAOYSA-N 464.978 5.347 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4sccc4c3O)cc2)CCC1)C(F)(F)F 1790933665 JPNOZWWIFIRZAY-UHFFFAOYSA-N 460.477 5.473 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@@H](C)C#N)c5)cc4)CCC3)c2c1 1792123580 JYIGQUOAPAMJTI-IBGZPJMESA-N 492.579 5.865 30 20 JKED CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1792217523 KIEVRHLKXXPZCI-UHFFFAOYSA-N 499.728 5.086 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1793472365 WKLDNQDLDNTLIJ-KOUNCHBCSA-N 482.502 5.163 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Br)cccc3n1)C2 1798335026 UBLHWEYBFPIXJB-RDGPPVDQSA-N 482.422 5.018 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)c1ccccc1n2CC 1799314225 GFTBPUXGHAULKM-BKFWDETESA-N 469.629 5.835 30 20 JKED O=C(CSC1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800504956 HTJYVTXFKOMRNT-OOSCYNTBSA-N 472.654 5.014 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1803091086 MMJBDSOIERDPKO-URXFXBBRSA-N 451.998 5.131 30 20 JKED C[C@H](C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C1)c1ccc(Cl)cc1 1805188013 CVWBUYMEXOFFQB-NRFANRHFSA-N 478.036 5.179 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809441414 NAAMCRVXOHTZGP-USCONSEESA-N 488.078 5.224 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CC[C@H]4CNc5ccccc5C4)C3)CC2)c1 1809843816 KSUWBUFKCUMJDP-BJKOFHAPSA-N 498.671 5.223 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1810181814 LHFLVSNLNGHSHE-ZDEZRRDYSA-N 477.624 5.435 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Br)cs2)[C@@H]1c1cccnc1 1810500526 RPOTYPZXUBENAR-YLJYHZDGSA-N 490.467 5.218 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2sccc2Cl)[C@H]1c1cccnc1 1811095772 AHBYZVDQSCWUDI-DENIHFKCSA-N 488.129 5.167 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811442917 UVWLLNFKIZTZFV-YWEHKCAJSA-N 469.560 5.011 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1812451799 ZADICLRJVYBNEN-LVXARBLLSA-N 486.443 5.221 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 1812589312 AROMIDAVDHJVCS-HZUJVAHNSA-N 479.930 5.286 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1)C(F)(F)F 1812679999 ROUHCXIVBFEOOT-UKILVPOCSA-N 487.566 5.181 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1812755860 SVIRUJIMDAMWEU-FPDDQMOCSA-N 487.003 5.038 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)[C@H]1c1cccnc1 1813058783 SIAJBXSPHQOZRK-HLADLETHSA-N 491.591 5.923 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)[nH]n1 1814440548 XDCBXPPOCCDKNG-SFHVURJKSA-N 489.016 5.379 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)[nH]n1 1814828730 RMGJSTSVFCUITA-NRFANRHFSA-N 471.001 5.536 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(F)cc3)CC2)n[nH]1 1815627617 YEWJXDPNTPHYMG-IFMALSPDSA-N 450.558 5.041 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4c(Cl)cncc4s3)n[nH]2)c1 1817679189 MWIMBFCAFJHIPB-LJQANCHMSA-N 490.976 5.164 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc3c2CCCO3)n[nH]1 1817797807 JGKJKROXXSBCBY-IBGZPJMESA-N 456.612 5.095 30 20 JKED Cc1ccc(COCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1C 1818139267 GYIZNBJPMLVXLA-QFQXNSOFSA-N 499.615 5.176 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)[nH]c12 1819026360 JYUJZGXMKAZJND-UUOWRZLLSA-N 480.572 5.446 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)[nH]n1 1820973968 RUXLCTPQJPEWMH-NBGIEHNGSA-N 487.604 5.492 30 20 JKED COc1cc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(C)c1 1821253923 QIOSIUUASYKVSA-CYFREDJKSA-N 485.588 5.282 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]n2)c(Cl)c1 1821277380 YCNZLRWPPZNUTG-HXUWFJFHSA-N 468.344 5.208 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)Cc3ccccc3)n[nH]2)c1 1822592064 SKQIUCBWCHARKL-FHAGJXEFSA-N 469.589 5.221 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)[nH]n3)c[nH]c2c1 1823564965 CUSQHDGLIPRJLO-CZNRWDAFSA-N 496.546 5.230 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Br)c3CC)CC2)C1 1823701242 DNPROEFBZHDXRR-QHCPKHFHSA-N 473.455 5.211 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824631832 JJVUULVIZFINAO-HXUWFJFHSA-N 465.972 5.126 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1 1824858248 PYQBZZOIEMQYMK-AOYPEHQESA-N 470.705 5.368 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1824956176 CLVBARLWVGGYNO-HSZRJFAPSA-N 479.086 5.038 30 20 JKED Cc1ccc2[nH]c(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)cc2c1 1827697276 LOMUYEFYHIWRQB-OXQOHEQNSA-N 483.597 5.100 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1828267907 BETDTBFNHCYNML-JXFKEZNVSA-N 476.543 5.027 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1828519199 YFKMKBOFKQZQSB-WINIVTDRSA-N 486.591 5.481 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1828822938 BTMMPRUXWHMXLH-XZOQPEGZSA-N 489.701 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2OC)CC1 1828825759 YWMIAHBMDZKBOE-RPBOFIJWSA-N 452.639 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1828827386 MBCKFXAFZLCNLO-FTJBHMTQSA-N 477.649 5.037 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)nc2C)CC1)c1ccccc1 1829530900 ATDPKHJTNONHQW-VSGBNLITSA-N 471.645 5.129 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622850 YMZVCAGBSYCEBW-RUZDIDTESA-N 455.602 5.416 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)CC2)c1Cl 1829781243 GUQXZHIIAUIMTR-NRFANRHFSA-N 473.404 5.049 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1830631065 WHOGKPJCJVUPIL-RUZDIDTESA-N 497.561 5.247 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)c1 1830713885 OJWRVXFADZCZAS-ISJBWFOZSA-N 495.545 5.013 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c(Cl)c1 1830722212 FDBNZZCCCINENH-HSZRJFAPSA-N 470.400 5.412 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177943 KOUPIEBNVMCBBS-PXJZQJOASA-N 499.655 5.563 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831208907 PUXSMUMWZYHHRZ-PXJZQJOASA-N 473.661 5.056 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1831447560 YNHADBSZJWFZBI-LJQANCHMSA-N 476.461 5.289 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1)C(F)(F)F 1831452844 DQARJARTPBOTGA-KRWDZBQOSA-N 480.424 5.196 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1)C(F)(F)F 1831453532 CAPSWDYVYMBBEB-IBGZPJMESA-N 464.553 5.562 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 1831804524 HDWMJABSPNLVLF-QFIPXVFZSA-N 494.623 5.276 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c1 1832609444 CZZJCAYWDYRSNT-RUZDIDTESA-N 464.009 5.262 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)ccc2n1 1832632140 KZWYRFYCZAKNCQ-PBBNMVCDSA-N 494.639 5.717 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699729 MSXRWOUJMIKREL-CUNXSJBXSA-N 475.633 5.388 30 20 JKED CC(C)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)CC2)cc1 1838599822 SNGHLOZSIXZGKC-UHFFFAOYSA-N 494.035 5.261 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 10172806 WBBBSHMWULXOJA-UHFFFAOYSA-O 486.608 5.879 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cc(C)ccc1C 10360351 PJXJBPSGSDVQEZ-AREMUKBSSA-N 466.610 5.832 30 20 JKED CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10464258 IJFDRQBWJCDETD-HNNXBMFYSA-N 492.601 5.583 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(\S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1C 10759845 LOQVPTCEFZISDX-UHFFFAOYSA-O 471.021 5.809 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 10831888 GPUPESPRAGIDBQ-UHFFFAOYSA-O 452.770 5.691 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccccc2F)cc1 11169419 CBVWUKGWBBHOBH-UHFFFAOYSA-O 455.578 6.394 30 20 JKED O=C(C[C@H]1S/C(=N\c2cccc(Br)c2)NC1=O)Nc1cccc(Cl)c1Cl 16938544 QEQYQCJHMJXQKX-CYBMUJFWSA-N 473.179 5.004 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(F)cc1 20170389 NZOYRSWWYWYWBM-HNNXBMFYSA-N 465.579 5.513 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)cc1 22802971 YIJSAZANPZOXFT-UHFFFAOYSA-O 467.680 5.421 30 20 JKED O=C(Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)c1ccc(C2CCCCC2)cc1 23152117 AGNMHVBZYQSDHH-UHFFFAOYSA-N 453.608 5.237 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nc2sc(C)c(C)c2c1=O 23405017 OCWRZQZONNUNIL-HNNXBMFYSA-N 462.040 5.650 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccoc1C 23519139 JAJWJLUZPPQQJO-XMMPIXPASA-N 476.577 5.512 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)n1 24284545 VPPHJKIQHSDULT-SNVBAGLBSA-N 478.546 6.160 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)n1 24284551 VPPHJKIQHSDULT-JTQLQIEISA-N 478.546 6.160 30 20 JKED CCOC(=O)c1sc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c(C#N)c1C 104800211 SSBCMCYYEBSQDH-UHFFFAOYSA-N 490.404 5.172 30 20 JKED C=CCN(C(=O)c1cnn(-c2ccccn2)c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 105977574 FPKSURMXMSAICD-UHFFFAOYSA-N 470.385 5.839 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 108741223 XGCVBXLBOYSMGI-HSZRJFAPSA-N 479.964 5.383 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)sc2nc(C(F)(F)F)ccc12 195687656 QQVHTZUDCFZVHY-LBPRGKRZSA-N 488.516 5.290 30 20 JKED CCCOc1c(Br)cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1OC 302924460 BPFPMGJQXZGTSP-UHFFFAOYSA-N 485.300 5.323 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCc3c(Cl)cccc32)c1 303071945 XOGQLJADROJWDG-JOCHJYFZSA-N 461.974 5.360 30 20 JKED Cc1nc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)nn1-c1c(Cl)cccc1Cl 476143325 ICNQDKPLZDKBDK-UHFFFAOYSA-N 491.338 5.259 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccs1 481162737 HJWZTYKHEBYDKM-OAQYLSRUSA-N 465.550 5.180 30 20 JKED C=CCN(C(=O)c1cc2c(s1)CCOC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 481933947 WLQCJROSZBOCLS-UHFFFAOYSA-N 451.400 6.084 30 20 JKED C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 482136718 UWHHIBDPSPEQSM-INIZCTEOSA-N 487.610 5.499 30 20 JKED Cc1c(C#N)c(S[C@@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)nc2c1CCC2 495057594 ZUJPMQDKCCXXPW-LBPRGKRZSA-N 450.614 6.043 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCSCc2ccccc2C#N)c(OC)c1 498797303 RERKWFNILKJYLL-UHFFFAOYSA-N 498.608 5.091 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 508281798 SLGFIPVTAXQTJA-UHFFFAOYSA-N 485.327 5.426 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1 509248958 VMGPZPJMCJCTNN-HXUWFJFHSA-N 456.546 5.270 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)cs1 511358595 BOMPNQLTYWSDJJ-LJQANCHMSA-N 482.609 6.646 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NCc1ccccc1Cl 512961992 NGDZTDWXEBVYHF-HNNXBMFYSA-N 477.417 5.147 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SC[C@H](O)COc1ccc(Cl)cc1Br 513486196 WPMNMWWNLUYESJ-QGZVFWFLSA-N 494.842 5.003 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F 515158640 SJCZTBFUFBRIJY-UHFFFAOYSA-N 477.446 5.819 30 20 JKED C=CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 515160958 QEFOZFBIIRZOHV-UHFFFAOYSA-N 486.663 5.121 30 20 JKED CCOc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc(OCC)c1OCC 515628441 ARKQJWLAIOYHTJ-UHFFFAOYSA-N 462.571 5.834 30 20 JKED C[C@@H](SCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc2ccccc2[nH]1 515655528 RIPQIOOPMDILQP-GOSISDBHSA-N 456.571 5.641 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3ccccc3)CC2)cc1Cl 516403946 QRRDNYKHMPYEAL-DEOSSOPVSA-N 457.961 5.340 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 517308754 DOBBZZOTGQIRGZ-UHFFFAOYSA-N 475.446 5.125 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)cc1 517404006 ITPLRKJALQVLAT-VXKWHMMOSA-N 463.400 5.899 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] 517800789 JBCBRZYORIKOJX-IBGZPJMESA-N 476.583 6.218 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517820152 CZINMBBWNWHTJN-LIRRHRJNSA-N 486.786 6.059 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 518753473 OTMHGUNXASQVHR-QGZVFWFLSA-N 462.541 5.449 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 519136964 MDVFFMSFFZVQMH-UHFFFAOYSA-N 479.580 5.718 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 520654512 KOPRJPPLLOCPJW-OAQYLSRUSA-N 473.941 5.845 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2)cc1 521431787 UBOBNPSOAICJGL-IZZNHLLZSA-N 459.521 5.513 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 521749785 WMAJCUOGFMGGNX-SIKLNZKXSA-N 454.599 6.373 30 20 JKED COc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CC2)cc1 522950818 GLSLWTBLARSAKX-UHFFFAOYSA-N 473.529 5.443 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1 524025810 IIKKIOSCJRNPER-UHFFFAOYSA-N 496.542 6.170 30 20 JKED C[C@H](Nc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 524138550 VDWSSQKVFFSAED-IBGZPJMESA-N 480.528 5.797 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c2)c1 524382657 NYFYNQSVWZWCKZ-UHFFFAOYSA-N 498.392 5.137 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)cc1Cl 554358643 LMGHXQUQXYAYLU-SFHVURJKSA-N 472.759 5.557 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 582625211 AEGMMEZMNLAOFT-UHFFFAOYSA-N 456.933 5.818 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CCC)c2ccccn2)nnc1-c1ccc(Cl)cc1Cl 591229041 UBHFZEBYVNCCKU-IBGZPJMESA-N 476.433 5.583 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccc(Cl)cc1 598034640 FUDIYICWNDOBMI-BNGSBABLSA-N 458.031 5.196 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1OC 598067703 KMKKAJZJELDABR-HXUWFJFHSA-N 475.618 5.184 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)cn2)cc1 603764212 IGEKIIQIFRRJOK-KRWDZBQOSA-N 467.451 5.014 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)cn2)cc1 603765586 WWSSJMCWUQXBHI-UHFFFAOYSA-N 452.445 5.389 30 20 JKED COc1cc(-c2noc(CNc3ccccc3Oc3ncccc3C#N)n2)ccc1OC(F)F 604007765 ZTCFGFYNZBHRKC-UHFFFAOYSA-N 465.416 5.018 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccc(F)cc4)c3)cn2)c1 604088587 ZVBCFMIYIIKWDW-UHFFFAOYSA-N 481.487 5.459 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 604100751 PBZBBXBZSSDTTF-HDICACEKSA-N 485.544 5.697 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 604441656 RBNBGRYUNYNMRI-UHFFFAOYSA-N 470.554 5.224 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1[N+](=O)[O-] 604449901 WXVIKUORYHMTRR-UHFFFAOYSA-N 497.536 5.094 30 20 JKED Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 604457392 LLNWPKJHAQCVOA-FQEVSTJZSA-N 467.569 5.570 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C2CC2)cc1 608797472 RZAPYOKMYGSEKT-SANMLTNESA-N 468.557 5.150 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1csc(Br)c1 609078428 PYFFDCRXUJKEBT-UHFFFAOYSA-N 456.365 5.591 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)cc2F)c1 609114278 IBUDRBYRYVTHJL-UHFFFAOYSA-N 469.303 5.412 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)cn2)c1 609126422 HZLUFWIXOWHOTG-UHFFFAOYSA-N 474.571 5.131 30 20 JKED N#C[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 609172926 GTYUQNYOHDXIFZ-MUUNZHRXSA-N 496.588 5.234 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)C3CCC3)cc2Cl)cc1 609227142 HWMHJNQBJFTWPI-DEOSSOPVSA-N 459.933 5.600 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc2ccccc2n1C(F)F 613404105 NQPVFDHYVASOCR-INIZCTEOSA-N 486.272 5.856 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)o1 613404526 OJXAROOBFXJWOK-HNNXBMFYSA-N 472.444 5.986 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC 613405013 ZNVKDKDZNZKJMJ-HNNXBMFYSA-N 461.896 6.152 30 20 JKED C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618453922 VOTZRVWFLKMZHK-TVYUQYBPSA-N 461.328 5.879 30 20 JKED N#Cc1ccc(-n2c(SCCCc3nc(-c4ccccc4)no3)nc3ccccc3c2=O)cc1 619562465 XNAMGYHYICEFAK-UHFFFAOYSA-N 465.538 5.032 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)ccc1Cl 619823234 CJWFJRDBCDZBNX-UHFFFAOYSA-N 490.814 5.235 30 20 JKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2cnn(C(C)C)c2n1 620304360 VQXZSDQUCDRLMB-HNNXBMFYSA-N 465.529 6.027 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(C)=O)C=C1)=C(/S)Nc1ccccc1-c1ccccc1 725764195 UCVRXNGXYPZOFX-UHFFFAOYSA-O 494.640 6.297 30 20 JKED C=CCN(C(=O)COC(=O)C1(C(F)(F)F)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 726226308 RKCBHFCKZCDXDQ-UHFFFAOYSA-N 479.307 5.522 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC[C@H](C)OC 726391850 BZDKQBVDOVGRFS-MHECFPHRSA-N 491.613 5.234 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2(c3ccccc3)CC2)c1 726516758 OLGAQQFQWLWHSB-UHFFFAOYSA-N 497.016 5.149 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNCc2ccc(Br)cc2)cs1 726740185 WSEBBHBVAWTTAP-UHFFFAOYSA-N 463.788 5.367 30 20 JKED C=CCn1c(-c2cccnc2)nn(CNC2(c3ccc(Br)cc3)CCCC2)c1=S 727166965 PIDJYMOXHIVCFH-UHFFFAOYSA-N 470.440 5.441 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)n(Cc2ccco2)c1C 727927410 GTSAMJKJAQJRIP-ZWKOTPCHSA-N 486.355 5.210 30 20 JKED CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(OCC#N)cc1)N(C)C 727942097 VKYXWDCAZMSRRM-QHCPKHFHSA-N 477.436 5.194 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](O)c3ccc(OC(F)(F)F)cc3)cc2F)c1 728392737 OEIZRVKCUDVCKG-OAQYLSRUSA-N 489.425 5.030 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 728776743 TZYVNOYYTIHXGY-LJQANCHMSA-N 493.391 5.787 30 20 JKED C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 729168137 YMZBFHJHYGWABK-OAHLLOKOSA-N 495.601 5.030 30 20 JKED N#CC1(c2ccccc2)C/C(=C/c2cnn3ccccc23)C(=O)/C(=C/c2cnn3ccccc23)C1 729644132 PPKSCRZILAZTJA-BILXGNRESA-N 455.521 5.273 30 20 JKED COc1cc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cc(OC)c1O 730436229 ONBIUOLGGJOABH-LCYFTJDESA-N 472.360 5.508 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCC3)C2=O)cc1 730463466 XUHHLSSPBSZIFX-NRFANRHFSA-N 482.993 5.123 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cocn3)C2=O)cc1Cl 730710070 HLYARBBCMDVVPD-FQEVSTJZSA-N 482.993 5.414 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 730944581 YJTDNDZXQPVNDN-AVRWGWEMSA-N 498.583 6.095 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731068277 YKGSQCHMWAWAED-AWEZNQCLSA-N 469.563 5.305 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCOc3ccccc32)C1=O)Nc1ccccc1F 731152364 QUNLOSKLGRRRNB-MHECFPHRSA-N 489.572 5.352 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744997891 XHCQURGSJDHLPM-HXUWFJFHSA-N 499.423 5.342 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C)c1 746696973 XEHSJAOJXKVHTA-NRFANRHFSA-N 475.561 5.050 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)cc1 747601931 WYMDUHXNJRXEHE-NRFANRHFSA-N 499.061 5.828 30 20 JKED C[C@H](OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 747963055 WELJVROJPCKBCY-ZDUSSCGKSA-N 496.570 5.104 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)[C@@H](C)c1c(C)noc1C 749786409 UFIJLDXQHSXSAW-BTYIYWSLSA-N 464.547 5.616 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](c3ccccc3Br)C2)cc1C 750761741 DSCBYECHKPRZOF-QHCPKHFHSA-N 493.405 5.057 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 799210395 RNICHSMTDXOVMH-LJQANCHMSA-N 475.467 5.502 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1C 799213629 XUUGEFRNPSTIMD-GOSISDBHSA-N 479.911 5.261 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCc2cccs2)C1=O)Nc1ccc(F)cc1F 837301620 APKKOGHUNUPAKH-HXUWFJFHSA-N 489.544 5.368 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837519256 ODEHKUWGYSGZRZ-GAJHUEQPSA-N 472.570 5.006 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1[C@H](C)c1ccccn1 838188242 YWYIYIIPUSVYKX-KOSHJBKYSA-N 488.613 5.374 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@H](C)c1cccnc1 838483707 BBGYMXHPINFBQR-JPYJTQIMSA-N 474.586 5.120 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3OC)N(Cc3ccccc3F)C2=O)c1 838491742 NFKGRHXLEPKLAG-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C2CCOCC2)n1 856622526 YAPBWQJHRJZFCZ-UHFFFAOYSA-N 478.980 5.714 30 20 JKED CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 902033799 IOLJJHOWRNMFDT-UHFFFAOYSA-N 494.602 5.099 30 20 JKED O=[N+]([O-])c1cccc(-c2ccc(C=Nn3c(S)nnc3-c3ccccc3Br)s2)c1 912797787 SEGXRALRCAHESP-UHFFFAOYSA-N 486.376 5.515 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1 914546647 QTCBXTMMBVVVMU-QHCPKHFHSA-N 477.561 5.133 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914694193 DQYHOVLCYKTLAR-KKSFZXQISA-N 467.591 5.479 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc(-c2ccccc2)cs1 915101446 BRBDNBYUTVQHGA-MSOLQXFVSA-N 484.408 5.846 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1CC1CCC1 915111643 NSNBSAVSHNJEJN-OAQYLSRUSA-N 488.009 5.118 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CC2CCC2)c1 915116568 KGKOSLIEEIXWNF-NRFANRHFSA-N 488.009 5.118 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cccnc1Oc1cccc(Br)c1 915528907 COVFPZNMHSOSSN-UHFFFAOYSA-N 498.358 5.048 30 20 JKED Cc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cc(C)c1OCc1ccccn1 915944386 QNNCBUXNXPMFHO-UHFFFAOYSA-N 472.614 5.508 30 20 JKED COc1cc(/C=C\C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916135326 QTHTZHJFPQIGKC-BENRWUELSA-N 489.877 6.281 30 20 JKED CCCC1C/C(=C/c2cc(OC)c(O)c(OC)c2)C(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)C1 916137933 VAIMTVLEBGVLLL-PZRYXVKFSA-N 468.546 5.378 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccc(F)cc2)C1=O 916210194 XXXZNCZRLAPUAD-QHCPKHFHSA-N 495.551 5.176 30 20 JKED Cc1sc2ncn(N=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)c(=O)c2c1C 916310897 PEPPQYULDDQLEM-UHFFFAOYSA-N 483.597 5.597 30 20 JKED CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnc3ccccc3c2=O)cc1F 916368956 XKTLHMRQUBGKCB-UHFFFAOYSA-N 481.531 5.449 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccccc2Cc2ccccc2)CC1 916855306 UOUKCWMTCLCDIG-UHFFFAOYSA-N 453.498 5.219 30 20 JKED N#C[C@H](C(=O)CCCOc1cccc2ccccc12)C(=O)Nc1ccc(SC(F)F)cc1 916886566 HBQCREQYHPWQJV-HXUWFJFHSA-N 454.498 5.661 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916902253 WYEHRSRTHGGSGA-NRFANRHFSA-N 488.927 5.943 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccc(Br)o1)C(=O)Nc1ccccc1Oc1ccccc1 916910994 UNBFWVJOOLXGAW-LUJNMSEFSA-N 451.276 5.195 30 20 JKED N#C[C@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)Nc1ccc(Cl)cc1Cl 916927665 APORXITULDUFLU-QGZVFWFLSA-N 457.313 5.345 30 20 JKED N#C[C@@H](C(=O)CCCOc1cccc(Br)c1)C(=O)Nc1ccc(Cl)cc1Cl 916928897 XVJQIWWQCGEYMK-HNNXBMFYSA-N 470.150 5.262 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916943787 YPZDRYAESBORMC-JEUDQZORSA-N 498.379 5.262 30 20 JKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046614 LJSPZDVQTKEROV-JOYOIKCWSA-N 470.175 6.009 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCc2csc(C)n2)ccc1Cl 917316655 CAYIBCSQAYZPNR-UHFFFAOYSA-N 496.441 5.070 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cs1 917560763 YREBTLGOUFEQDG-OUBUNXTGSA-N 479.945 6.219 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 917682486 JFWQZSRAKVKCIQ-NTKDMRAZSA-N 487.629 5.178 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 919713916 KSRDEJOZZZEYTL-RTWAWAEBSA-N 464.352 5.640 30 20 JKED COc1ccc(OCc2nc(/C=C3\COc4c(Br)cccc4C3=O)cs2)cc1 920067400 YDVHTVOHVQPJBF-UKTHLTGXSA-N 458.333 5.152 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920105780 LWTMUFRXPRWJBP-QGZVFWFLSA-N 467.472 6.132 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nccn3-c3ccc(C)c(C)c3)n2)cc1 920143358 PHYRKDVSNXHURM-NRFANRHFSA-N 474.611 5.590 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3ccccc3c2)s1 920168629 MPMLAMCIRXLTQA-ZHRRBRCNSA-N 463.628 5.571 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(C3CCCC3)C2=O)c1 920174340 BFSKTKONKQAJAZ-DEOSSOPVSA-N 493.629 5.095 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cc(C)on3)C2=O)c1 920353563 MTSORSXVXJOAME-HSZRJFAPSA-N 492.601 5.276 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c12 920681908 RSZJGWPAGOVCBR-ZDUSSCGKSA-N 490.541 5.041 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnc1-c1ccccc1C 920805151 AHCBFZVFSRVYGJ-INIZCTEOSA-N 495.580 5.644 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1C 920892888 SBQZDLWBRQRUIO-UXHICEINSA-N 484.556 5.250 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)cc1F 921253661 LLEAHZZOACATNM-KXBFYZLASA-N 497.514 5.062 30 20 JKED C[C@H](OC(=O)c1ccccc1SCc1ccco1)C(=O)N(CCC#N)c1ccc(F)cc1 927649997 RMNPDBRCIRCWMK-KRWDZBQOSA-N 452.507 5.203 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)C1 1782158268 PFGOYULYVFINMI-MUUNZHRXSA-N 482.571 5.068 30 20 JKED Cn1c(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)cc2ccccc21 1786031999 DVYCAAMJMFJLAT-UHFFFAOYSA-N 480.543 5.179 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)c1 1786246173 VGNZACMVFJMXDE-UHFFFAOYSA-N 455.480 5.271 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4occc4Br)cc3)CCC2)c1 1788719486 IGKFKJSGKAOPAM-UHFFFAOYSA-N 492.373 5.294 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C(F)(F)F)cn3)CCC2)cc1 1789451322 HPNGWCFZNISOJF-GOSISDBHSA-N 458.484 5.012 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cncc5cnccc45)cc3)CCC2)c1 1790011946 OSEAFIDMFOAISJ-IBGZPJMESA-N 475.552 5.318 30 20 JKED CCc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790082742 LBZQXATVWWTMSN-UHFFFAOYSA-N 464.978 5.292 30 20 JKED CO[C@@](C)(C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1)c1cccc2ccccc12 1790376440 UGFDCKFVRYUZOX-GDLZYMKVSA-N 492.579 5.349 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C[C@H](C)Oc4ccccc4)CCC3)cc2)c(C#N)c1 1790474803 BWVUPFQNTDFTGP-NRFANRHFSA-N 497.595 5.101 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1 1790519452 CIQGHXUPOTWRMV-NFBKMPQASA-N 481.637 5.336 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCSC4)CCC3)cc2)c(Cl)c1 1790767858 SFSYFGPIWIVJHB-KRWDZBQOSA-N 453.995 5.103 30 20 JKED C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1)Oc1ccccc1 1790836642 UTMHEVXYOCHBIF-LJQANCHMSA-N 493.567 5.040 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791402926 KKNSOOZKGUFNIL-DHIUTWEWSA-N 493.648 5.146 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CCC2)cc1 1791588223 LCFCCEYBWHAINB-UHFFFAOYSA-N 450.542 5.554 30 20 JKED COC1(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)CCC1 1792051109 OJXGIUXRRYTWGU-UHFFFAOYSA-N 475.589 5.052 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)c5nncn5c4)CCC3)cc2)c1 1792124852 MPHYDSJPFKSIPR-KRWDZBQOSA-N 498.974 5.071 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)c1 1792126978 PYWFBOKTBQQAGS-FQEVSTJZSA-N 490.563 6.030 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1792205770 UBSSQPNZUDAFKO-VIZSFHNOSA-N 483.653 5.416 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)C[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1792207621 RHYPPDJNTXOATE-JKIUYZKVSA-N 481.637 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)cc2)CCC1 1792337255 FNCJGODRRAAXEX-LZVPSXTNSA-N 493.648 5.358 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(s1)CCN2C(=O)OC(C)(C)C 1797949731 AZQGTWJYBNHKON-ACDBMABISA-N 499.677 5.066 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnc(-c3ccccc3)s2)c1 1798950320 MQEVYXLVCNGMCF-QMZRJTEUSA-N 470.598 5.003 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c3ccccc3n3ccsc23)c1Cl 1799131361 WJMJANWQQSPVQR-BCDXTJNWSA-N 489.000 5.245 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2-c2ccc(F)cc2)c1 1799432027 OFORAFWFSMGRJB-TZAMREQXSA-N 482.559 5.080 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1802495385 LAHAEJVGHBZHLR-RBBKRZOGSA-N 473.539 5.412 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1803124916 YQTNKUYLSCZTNS-JYFHCDHNSA-N 465.613 5.242 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc5c(Br)cccc5c4)CC3)C2)C1 1804780523 FXUKODCWACOTKI-UHFFFAOYSA-N 481.434 5.413 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1807958710 CMYKJEPPNLRUEC-FPOVZHCZSA-N 451.592 5.201 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1809211577 DBSOBAGBPWKHEX-OUTSHDOLSA-N 496.655 5.389 30 20 JKED C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)C2)CC1 1810304391 OWXNEZHHNKDNIC-UHFFFAOYSA-N 478.633 5.288 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1)C(F)(F)F 1811540080 ZTNCPAJKAONMOD-WIOPSUGQSA-N 493.529 5.495 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1812828101 NXIFIPCTHQXOFV-XCZPVHLTSA-N 459.634 5.222 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c(Cl)c1 1813860247 CFIJCOQFDKVHML-GAJHUEQPSA-N 497.357 5.033 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H]1c1cccnc1 1814106346 BGUUKRPVUZYRHP-QABMSTFYSA-N 488.591 5.030 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCc3ccccc3F)[nH]n2)cc1 1814377658 QMCCZNLNSIWBCS-VWLOTQADSA-N 487.579 5.068 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1815215098 DTQRDUULXVAJSZ-KOSHJBKYSA-N 476.552 5.113 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)[C@@H](C)CC)n[nH]1 1816847280 LEBGHDFMNOYOSJ-VAPDBKPJSA-N 466.626 5.215 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccsc2)n[nH]1 1817522380 HWMOXLWKSRHORA-NRFANRHFSA-N 470.715 5.147 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cc2cccnc2s1 1818571364 UZNDFPZMJBVNHT-HXUWFJFHSA-N 489.988 5.030 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)cc1 1818810910 OZOANSVGBYJUQO-AAJFVQQISA-N 493.567 5.366 30 20 JKED C=CC[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)sc2C1 1818907377 HRJHGXLZMTVKDJ-CJNGLKHVSA-N 469.010 5.091 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)[nH]n1 1819306139 XSFHHBLYSRHJTN-RXVVDRJESA-N 490.633 5.311 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1819493658 RLCXDMBFSFPYDW-KDJGEDKASA-N 471.561 5.348 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]2)C1 1820964613 QULYHTCXPIXJAU-OAQYLSRUSA-N 472.630 5.050 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(F)F)cc3)n[nH]2)c1 1821132719 MDVCCAMIQJARDD-ZHRRBRCNSA-N 493.514 5.258 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 1821182020 WYSMGXYBCVXOGH-SANMLTNESA-N 496.615 5.086 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)[nH]n2)c1 1821275365 HQRLIAIUWXJVEB-PWHSHALESA-N 491.954 5.183 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c(Cl)c1 1821277342 WIOTVGXISLGGFE-HXUWFJFHSA-N 486.334 5.347 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccncc34)n[nH]2)c1 1821416134 LHMZWQYQVRLMQL-IQGLISFBSA-N 478.556 5.205 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821425944 MRRMAHXLCYGMGV-HSZRJFAPSA-N 477.996 5.686 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5ccccc5c(Cl)c4OC)sc3C2)C1 1821444548 KJWWKDMIGKRBET-INIZCTEOSA-N 482.005 5.150 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821611274 PDPKNHFPRCAFFP-KSSFIOAISA-N 467.551 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4c3OC(C)(C)C4)[nH]n2)c1 1823212196 LVTJMLLCNRUTFK-UUOWRZLLSA-N 497.599 5.370 30 20 JKED O=C(c1cccc2c1oc1ccccc12)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824413512 DQZPZMKIHLLZRN-VWLOTQADSA-N 454.570 5.233 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cc(C)ccc2C)CC1 1824951030 KQXDULUPODUUGN-RPBOFIJWSA-N 452.639 5.070 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)cc1 1827331845 IWFRGJVLZQFPJI-FCFFNXBQSA-N 498.627 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc4ccoc24)CC3)c1 1827701091 RYNZNZKWIKOHDB-BEFAXECRSA-N 470.554 5.056 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COCc2ccc(C)c(C)c2)CC1 1827708329 YNUCGJUSPHETCO-RRPNLBNLSA-N 466.666 5.208 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991929 MYMGLCKMZFACDR-VWLOTQADSA-N 492.019 5.174 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1828400947 PZJRHIRKUIBPOA-NXCFDTQHSA-N 476.020 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1828824943 QNHGDIBYYBCKHU-RPWUZVMVSA-N 489.701 5.020 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)CC1 1829423674 CYWNGCAABZFRAE-GOSISDBHSA-N 471.589 5.388 30 20 JKED CCOc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689703 NGHXKLVMAPEIEK-HSZRJFAPSA-N 480.008 5.157 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1 1829783878 NTNZFBJPZBIRKR-SJLPKXTDSA-N 487.529 5.007 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830450189 UXGGGTPHBSPJLZ-XTEPFMGCSA-N 478.583 5.531 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)c1 1830713880 OJWRVXFADZCZAS-IPVFLDMMSA-N 495.545 5.013 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3N3CCCCC3)CC2)c1 1830754074 PXWPLGKVPVYITR-HHHXNRCGSA-N 484.644 5.096 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1 1830766916 UEJPVRVVGQLYOV-VWLOTQADSA-N 481.999 5.135 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1831376454 QZAAXOGWAUMCCR-BXCZTDHWSA-N 473.455 5.294 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1832026134 MHJRNGIFVXVHFP-VWLOTQADSA-N 473.057 5.312 30 20 JKED CC/C=C(\C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1832519458 DCPAEKUBKRKJNX-QEQOENRNSA-N 461.528 5.167 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c1 1832634455 RURWWXHHYNFDNC-LZFIYUALSA-N 461.650 5.373 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(F)CCCC=C3F)CC2)c1 1832635739 QEYDHEHMTSLLGQ-VQEMNGCCSA-N 469.576 5.293 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(F)(F)F)nc4ccccc34)CC2)CCC1 1832784356 MMHJEDDHJKRIIT-JOCHJYFZSA-N 498.549 5.181 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1832793019 LAWFEVJBXKRLKS-HXUWFJFHSA-N 493.654 5.147 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)CC1 1837259387 ZZKKIDLVWYINJI-HHHXNRCGSA-N 489.660 5.371 30 20 JKED C=C(C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1)C(F)(F)F 1846779985 PTIKWKUZUCROCW-UHFFFAOYSA-N 498.423 5.433 30 20 JKED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1Oc1cccc2ccccc12 1848063473 XSELPHRKFFTEMC-ZEQRLZLVSA-N 472.610 5.367 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccc(C)cc1 10173146 MMJSEQUBOFHZHP-UHFFFAOYSA-O 454.413 5.658 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C(C)C)n2Cc2ccco2)n(-c2cccc(F)c2)c1C 10201260 BZKSLUWJQMPFCW-UHFFFAOYSA-N 492.580 5.192 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)nc2sc3c(c2c1=O)CCC3 11149795 ITXJEGIUSNJEEY-UHFFFAOYSA-N 491.638 5.047 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158571 VVIJJRJAAHEITL-UHFFFAOYSA-O 464.825 6.548 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11160610 TVJASACMXWOKSE-UHFFFAOYSA-O 492.089 6.948 30 20 JKED C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nc2scc(-c3cccs3)c2c1=O 11382794 CNGCPBSVVDTUMY-UHFFFAOYSA-N 495.695 6.228 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 12723862 GPNHFVDJOGCVON-ZEQRLZLVSA-N 484.581 5.449 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 23347817 RSPHMRKBKIHMMS-CTNGQTDRSA-N 495.674 5.230 30 20 JKED COc1ccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)s2)cc1 23362148 JNKYQARYTBSSGN-QGZVFWFLSA-N 467.620 5.335 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 23604178 FQXWWSVZEPAYQX-NRFANRHFSA-N 482.613 5.124 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(OC)cc2)cc1 23604265 PYSDXPIFKSNNIA-UHFFFAOYSA-O 450.628 5.882 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NCc2ccccc2)cc1 28777449 CPNNXHVQIPXTRQ-UHFFFAOYSA-O 472.461 6.307 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 59054403 MJFOIMLGCXVDJA-UHFFFAOYSA-N 453.464 6.178 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 105676321 ROCSKFHOSOMNGM-UHFFFAOYSA-N 486.616 5.079 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccc(C(C)(C)C)cc1 303292910 MTQXDFPNDGEVRO-SFHVURJKSA-N 493.702 6.245 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(OCc3ccccc3)CC2)cc1 480400723 AECGBWJMTCCCAY-UHFFFAOYSA-N 457.530 5.572 30 20 JKED C=CCn1c(SCc2nc(-c3ccco3)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 484880288 LRYARNTZCIJIAX-UHFFFAOYSA-N 480.546 5.694 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1C 502296676 ZOHQXYCSCMWMMD-UHFFFAOYSA-N 492.505 5.215 30 20 JKED CCOc1ccc(-c2nc(Cn3cc(C#N)c(=O)c4cc(Br)ccc43)cs2)cc1OC 502818722 SYDHQOYZDGNWSF-UHFFFAOYSA-N 496.386 5.215 30 20 JKED COc1cc(C(=O)N(CCC#N)CCC(C)C)ccc1OCc1ccc(Br)s1 505207338 OCXKLNXEYLUORR-UHFFFAOYSA-N 465.413 5.500 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 506985566 JWPBNFKKXGJXPH-OAHLLOKOSA-N 472.467 5.261 30 20 JKED COC[C@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)nnc1-c1ccccc1 508959139 MBHZPCLJJKTMJB-KRWDZBQOSA-N 495.674 5.475 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cn2)c1 509631627 GIMPOZOFBCFITD-UHFFFAOYSA-N 471.542 5.123 30 20 JKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cccc(OCc2ccccn2)c1 509664724 KHRUDORYSBFIOH-SFHVURJKSA-N 469.570 5.462 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 510890522 SDCLLIARBCKRBP-UHFFFAOYSA-N 472.520 5.224 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 511787230 QAKXUIWKUXDNPU-XHCCPWGMSA-N 467.569 5.597 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513202717 SXXRLTBICQFRTO-MRXNPFEDSA-N 460.433 5.262 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nc2ccccc21 513982610 GFXKNFWTVFPLBT-ATIYNZHBSA-N 484.003 6.734 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 515701081 JTZJTMQPWHSZBS-UHFFFAOYSA-N 466.497 5.935 30 20 JKED N#Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)ccc1F 517464562 YOLAZHPALWGNAX-NRFANRHFSA-N 474.294 5.182 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)c1 518232673 TURHRNUIJZSRPQ-BVAGGSTKSA-N 473.529 5.019 30 20 JKED Cc1sc2ncnc(SCC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2c1C 518292763 PNAXGBQPNOOGEQ-UHFFFAOYSA-N 473.583 5.163 30 20 JKED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)cc1 521004828 IOGPADPZOQLRCV-UHFFFAOYSA-N 493.343 5.350 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 521748435 BELLVGIASGBQQO-ZDUSSCGKSA-N 467.473 5.099 30 20 JKED CCOc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1 521805218 ZOVGQVRZUNRYRQ-CLOONOSVSA-N 473.598 5.324 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccnn3Cc3ccc(C(F)(F)F)cc3)o2)cc1 524138406 NTXCYDDDQYDSRX-UHFFFAOYSA-N 466.419 5.246 30 20 JKED N#Cc1cc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)ccc1OCC(F)(F)F 524304519 ANDQBVQUMHHROQ-SFHVURJKSA-N 474.266 5.412 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)n2)cc1 591862577 WQSRJJAJDJDNPO-JOCHJYFZSA-N 453.523 5.500 30 20 JKED C=CCn1c(SCC(=O)NC[C@@H]2CCOc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 595284303 GWWOFKIOHOYNSY-HNNXBMFYSA-N 489.428 5.213 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nnn(-c4ccc5ncccc5c4)c3C)n2)cc1 596533229 AJHUTUCJUMAMMM-HXUWFJFHSA-N 450.527 5.046 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl 603821199 ISWXUAYJRAAGMW-KRWDZBQOSA-N 491.893 5.775 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 608845427 XADWFVLWZFEWON-JTHBVZDNSA-N 490.357 5.032 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)o1 608881154 RCJMHZLXGJCQAE-UHFFFAOYSA-N 455.489 5.149 30 20 JKED N#CC1CCN(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)CC1 609205079 UWXKUYJOBNSOFK-UHFFFAOYSA-N 462.419 5.539 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)sc2n1 613320234 VGMFYBUHFKFFAY-AWEZNQCLSA-N 484.990 5.422 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1S(C)(=O)=O 613344573 JRNJKGUWQGFGQQ-HNNXBMFYSA-N 465.383 5.319 30 20 JKED C=CCN(C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 618694778 FMTVHOCMUYFLHJ-ZDUSSCGKSA-N 499.416 5.637 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nnc1-c1ccc(F)cc1 641903679 CKVAVECOKSTEDE-UHFFFAOYSA-N 474.565 5.064 30 20 JKED C=CCn1c(SCC(=O)N(C2CCCC2)C2CC2)nnc1-c1ccc(Cl)cc1Cl 642094408 KMENOLRYDROTKT-UHFFFAOYSA-N 451.423 5.464 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281778 JKEWSUGEQLWAAP-INIZCTEOSA-N 456.354 5.734 30 20 JKED C[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nc2ccccc2n1C(F)F 642679485 KAPALKPADLJCLW-NNYUYHANSA-N 472.380 5.701 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)c1=S 725774226 JZAMNZDUSCUQKB-UHFFFAOYSA-N 487.645 5.228 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 726392437 GSYVVCMZYZLASU-QMHKHESXSA-N 497.567 5.503 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC2CCC2)cc1Cl 726410169 YAFOVIPRHXJQAV-FQEVSTJZSA-N 470.957 5.111 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1cccnc1)c1cccs1 726421416 QJGOJBHKRNIQFB-GUPKRBROSA-N 482.606 5.433 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc3c(c2)CCCC3)cc1Cl 726571381 GAMMRNIVLJTRHD-UHFFFAOYSA-O 491.980 5.609 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC)c(Cl)c1 726889864 HTSYZHQTUBCJAB-LJQANCHMSA-N 463.962 5.248 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1cnc2c(c1)c(C)nn2C 727780820 UHJUUHWISFNDGO-RUDMXATFSA-N 453.365 5.367 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 728182553 XIOJUMJLTGSXCV-JWGURIENSA-N 492.647 5.537 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1cccs1)c1cccs1 728430170 OLIUQYOXFSAKFS-DGMJRFSVSA-N 480.640 5.271 30 20 JKED CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCSc2ccc(Br)cc21 729036345 OFOKSJJFCIBQLQ-GOTSBHOMSA-N 492.442 6.805 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 729557174 FOBPUBHUKQLNDD-GCJKJVERSA-N 483.012 5.764 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 729891344 FEIANGZUARFNLM-QZTJIDSGSA-N 468.504 5.654 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O 730459003 DTHTXNITFUSYCU-LJQANCHMSA-N 461.946 5.001 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CCC2)c1 730459090 GKRMRZGNYPPJNW-LJQANCHMSA-N 491.585 5.523 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1cocn1 730717740 APPVVPKUSIYGQG-FQEVSTJZSA-N 486.956 5.190 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(CC)cc2)N(Cc2cocn2)C1=O 730720736 UQYDJDAVMJCMSX-HSZRJFAPSA-N 492.601 5.186 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1cocn1)c1cccs1 730729462 MQEJREPYFHRMHC-KCCRQWGISA-N 492.985 5.119 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cocn1)c1cccs1 730730477 VUJDBWNPBLITQB-PEIXWMAYSA-N 490.610 5.479 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 730791778 ZFUNTFRCKHURJM-UHFFFAOYSA-N 480.387 5.247 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731072372 GMEUWFMSJLHDCG-INIZCTEOSA-N 497.020 5.119 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 745313316 LHZXEACOPWVUQQ-MGPUTAFESA-N 487.408 6.282 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCOC(C)(C)C)C2=O)cc1 746696426 NGSHSTPGLIJGFF-QHCPKHFHSA-N 495.645 5.281 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc(C(F)(F)F)cc3)s2)ccc1S(C)(=O)=O 747061335 HAYHVEHREMMFQB-NTMALXAHSA-N 466.502 5.742 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O)Nc1cccc2ccccc12 747598498 BRKJLOZNUIUUCB-JOCHJYFZSA-N 490.585 5.596 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2CCc2nccs2)c1 747603876 VMQIZFORZRJJOO-JOCHJYFZSA-N 492.670 5.147 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(CC(F)(F)F)C2=O)cc1 799217788 WDOPNKNCCTUKRZ-IBGZPJMESA-N 479.524 5.225 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC)cc3)N(CC(F)(F)F)C2=O)cc1 799221048 RTHRWODYHULONP-LJQANCHMSA-N 495.523 5.007 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@H](C)c3ccccn3)C2=O)c1 837301615 MGNYMRLYKNAAFX-HYBUGGRVSA-N 472.614 5.728 30 20 JKED CC(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2)CC1 837785088 YLYLXKYXFRTJHL-QFIPXVFZSA-N 485.053 5.173 30 20 JKED Cc1cc(-c2nc(C)c(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)s2)ccc1F 883978791 VLRYGVMUCPHRKJ-STQMWFEESA-N 454.411 5.769 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(C(=O)NCC(C)C)CC2)c1=S 887560168 BICZMSAQQUMZMB-UHFFFAOYSA-N 469.699 5.006 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)N(C)Cc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1 914450033 UPYUPJLDVLOHCQ-IXCJQBJRSA-N 467.569 5.018 30 20 JKED CC(C)c1c(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cnn1-c1ccc(F)cc1 914669842 ZARHRIQIWRANNC-UHFFFAOYSA-N 458.493 5.043 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2cccc(F)c2)C1=O 914772563 DTQMHUZQXFHHGL-HSZRJFAPSA-N 477.561 5.303 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1F 916206787 VRFQPVPAONJMLQ-SFHVURJKSA-N 478.933 5.004 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1 916208296 YTFLFRYFOZWRCF-HSZRJFAPSA-N 458.587 5.167 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2)C1=O)Nc1ccccc1F 916209416 KYHRZQJYSQSHFJ-NRFANRHFSA-N 451.498 5.125 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(C[C@@H]3CCCO3)C2=O)c1 916210687 HALPPNNZDPWEOH-PZJWPPBQSA-N 472.010 5.096 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916210702 HAEVLKKKBZYAGT-CRAIPNDOSA-N 478.401 5.133 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1OC 916211725 FXQDKJGKQNSOMI-DEOSSOPVSA-N 489.597 5.173 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccc(OC(F)F)cc1 916333017 AFYSZEHXIIJTSZ-UHFFFAOYSA-N 492.914 5.063 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)cc1 916383944 WZXOCFYYWICTBD-KRWDZBQOSA-N 482.853 5.242 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)[C@H](C#N)c2ccccc2)n1CCc1ccccc1 916622917 RHULIYMGIUQCIR-HSZRJFAPSA-N 468.582 5.165 30 20 JKED CCCCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916846775 DYDKNSHDQAQZSG-HXUWFJFHSA-N 475.614 5.848 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 916910340 WWEWNZWLIDYOOI-LJQANCHMSA-N 481.415 6.264 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916977628 VHPSEPYCCPAWRF-YLJYHZDGSA-N 464.978 5.584 30 20 JKED N#C[C@@H](C(=O)Cc1csc(Cc2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996590 MYPJBWYZYGWMJD-SFHVURJKSA-N 484.433 6.583 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCOc3cc(Br)ccc3C2=O)cs1 917560602 SPNSIHOMCNPLKH-GXDHUFHOSA-N 487.350 5.778 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccsc1 917665358 WZQDPQCXXUTLRJ-HXUWFJFHSA-N 453.564 5.356 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C)s2)c1 917666854 PHLAIRVEWUUARE-QFIPXVFZSA-N 495.626 5.234 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2ccccc2c1 917699748 CDTVQDXHGAIYNL-XMMPIXPASA-N 475.614 5.453 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1cccc(F)c1 917702867 IZCWQSZDIMKWIS-QHCPKHFHSA-N 490.535 5.039 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(CC(F)(F)F)C2=O)cc1 917713491 MOCVNWHXMSMBIE-HXUWFJFHSA-N 491.535 5.535 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c1 917728512 VKYSUDTURGPRMB-UHFFFAOYSA-N 495.988 5.026 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 917804116 LFNRKDJMUFVFEC-UHFFFAOYSA-N 457.530 5.931 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 920142046 JUSFCCWLHFAPAP-NRFANRHFSA-N 465.534 5.163 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c(C)c1 920353705 QFKBGDCXOSQTDZ-QFIPXVFZSA-N 497.020 5.722 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806657 NBBQDXIKRAMTCG-HNNXBMFYSA-N 453.470 5.004 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)CCC2)cc1 1785840745 AULFNPQWLBWYCP-HXUWFJFHSA-N 493.673 5.223 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786573412 FOWORAFUXNPWFD-KNQAVFIVSA-N 469.626 5.122 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)cs1 1787527016 JKJJEJGEPGFJEY-UHFFFAOYSA-N 453.684 5.250 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3nccc4occc34)cc2)CCC1 1788340185 WLXULAPLAQJREA-UHFFFAOYSA-N 473.649 5.627 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)n(-c2ccccc2)n1 1788669684 HYBRHIRKZGYAGK-UHFFFAOYSA-N 475.552 5.114 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1 1789020698 XLLGIELENHCZCN-JOCHJYFZSA-N 452.576 5.149 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(-n4cncn4)c3)CCC2)cc1 1789510035 VWPKWACORCIKOA-UHFFFAOYSA-N 499.691 5.066 30 20 JKED COc1ccc2c(c1)CC[C@@H](CC(=O)NC1(c3ccc(NC(=O)[C@H](C)ON=C(C)C)cc3)CCC1)C2 1790568633 XEXANRMRGVQUBR-LEWJYISDSA-N 491.632 5.125 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Br)ccc4c3)cc2)CCC1 1790910608 GGUSFAYPQLUBAC-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)CCC2)cc1 1791252461 QECIYZYHQMLFOB-PGRDOPGGSA-N 469.626 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)c[nH]4)CCC3)cc2)c1 1792124048 ZPBXKIMYQVPRAV-MRXNPFEDSA-N 480.490 5.722 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1Cl 1796529061 DGEJBNWCSXHDRB-XYVMCAHJSA-N 494.945 5.009 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)[C@H]1c1cccnc1 1802494019 AKNOGDODTUNEJR-BVAGGSTKSA-N 492.639 5.133 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1803091455 NJDQCHUUVWHNKD-XTEPFMGCSA-N 486.660 5.160 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4ccc(Cl)cc4[nH]2)C3)c1 1803676010 LDXYWLNFTPYQEE-RWXMBLCBSA-N 460.965 5.014 30 20 JKED Cc1snc2sc(C(=O)N3CCC4(CCCN(C(=O)CCc5ccc(C#N)cc5)C4)CC3)cc12 1804758911 QVEXMJVSMOKAKC-UHFFFAOYSA-N 492.670 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccc(OC)cc3)CC2)C1 1805455284 UVVFPPHQUXQJNM-UHFFFAOYSA-N 487.644 5.370 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1810173196 GLONCIQSQDWHII-MZKRTTBSSA-N 471.523 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1810503527 PZDRXZWRNSTZLO-CPJSRVTESA-N 491.035 5.595 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810719300 RDOWSJIUDYLORO-LITSAYRRSA-N 495.623 5.962 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1812589506 FWUUCIDWPGSRMF-KLHJMIIUSA-N 479.930 5.286 30 20 JKED CCSc1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814355952 HNFLZYGLZRTFCV-JTSKRJEESA-N 488.617 5.163 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@H](C)CC)[nH]n1 1815204819 JJDUXQDEFDWSCS-UVWWXKGLSA-N 466.626 5.215 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccccc3)n[nH]2)c1 1816963807 WPQMJTINGCSTNK-GKGXRWQJSA-N 453.546 5.056 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccccc3)n[nH]2)cc(C(F)(F)F)c1 1816964396 GPLHSDHLADIMLR-DGSRBQDKSA-N 493.489 5.319 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nn(CC)c3ccccc23)n[nH]1 1817750164 RMESWEYGFJKFAU-NRFANRHFSA-N 462.598 5.078 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)[nH]n1 1818114156 LJQOYKSUPKXUKV-BLGFXRMMSA-N 486.956 5.009 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165080 BIMVLUCHFUCUMQ-JXFKEZNVSA-N 497.983 5.430 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)[nH]n1 1819307529 IOBXGELXWSYJHF-URXFXBBRSA-N 491.636 5.531 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)[nH]n1 1819308910 HWLXBAUSCXPBQR-GGAORHGYSA-N 492.620 5.281 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1)Oc1ccccc1 1819387064 XGRVJKFOFADJKW-QPPBQGQZSA-N 494.712 5.311 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819387084 YPOVYBUDTPNCNL-HSZRJFAPSA-N 480.685 5.165 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(F)c(F)cc4nc3Cl)n[nH]2)C1 1820160071 WWSSHMKUGULUBC-HXUWFJFHSA-N 485.922 5.162 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)C4(C#N)CC4)[nH]n3)ccc21 1820226003 VEYAIWGCYGULHT-XMMPIXPASA-N 480.572 5.147 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)[nH]n2)c1 1820485842 HQCVQYIWMKZEOT-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C[C@H](Cc1ccco1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821311563 ZFSTUBYAUYEPNC-VFNWGFHPSA-N 499.493 5.078 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1 1821337392 SGZZXVIHHUEHTG-SFHVURJKSA-N 460.365 5.025 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2O)n[nH]1 1821348308 LAQHVDXCSBGAEU-DVECYGJZSA-N 488.588 5.212 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccccc3)n[nH]2)c1 1822330142 YKFLHRCFAMBZHA-CSILHSIFSA-N 467.573 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(N(C)C)cc2)n[nH]1 1822614641 DADBXBMHANVBAC-HSZRJFAPSA-N 465.642 5.093 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)c1 1823211387 DUHLNFSUULPJJK-KOSHJBKYSA-N 490.007 5.629 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)cc2n1 1823211452 GBFWGCSTTSQAOL-AOMKIAJQSA-N 482.544 5.106 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823215689 ALRQOXVSVMMDHE-HJPURHCSSA-N 491.979 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)[nH]n2)c1 1823217462 TUGZPBKWRKLHLH-UMEGOILYSA-N 469.589 5.536 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)c3cccs3)[nH]n2)cc1C#N 1823295015 WYBNCGJCNXQHMS-UWJYYQICSA-N 491.617 5.240 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc(OC)c2OC)CC1 1823753336 JACQGNNSPHURHH-NRFANRHFSA-N 474.617 5.069 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)CC1)C(F)(F)F 1823976566 GYBZFSIULKBFHZ-QRWLVFNGSA-N 456.936 5.182 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1824538335 OYGLUTMYPSVAKI-FGZHOGPDSA-N 462.059 5.009 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)c[nH]2)cc1 1825425685 ZTJOBTJHCNAIHB-MUUNZHRXSA-N 498.602 5.548 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)CC2)C1 1825553873 KNZCGBIFKUBIBD-DEOSSOPVSA-N 497.561 5.365 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825763887 QYWJTNYVBKJVNB-VWLOTQADSA-N 475.633 5.652 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CC2)CC1 1826680461 DWOKDLWQPYNFOY-HSZRJFAPSA-N 493.007 5.064 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1828399874 CAEYQNQXOHXTNR-DSITVLBTSA-N 455.042 5.257 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@H](S)C(C)C)CC3)cc2n1 1828495548 KNDGFCDEFAHMIT-BJKOFHAPSA-N 488.097 5.384 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)CCC1 1828508585 DASGAJMJUCULOF-JOCHJYFZSA-N 486.538 5.114 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccc(Br)cc3n2)CC1 1828702284 UNJPJLKOFUKFEE-DEOSSOPVSA-N 496.449 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1828824941 QNHGDIBYYBCKHU-DNQXCXABSA-N 489.701 5.020 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1829066359 CWWBXQZYAPMFBM-OAQYLSRUSA-N 453.652 5.522 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830275349 YETXVPXNSCIWAW-QPPBQGQZSA-N 468.041 5.437 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1)c1cccs1 1830749148 CDEGXVOBTMIHRW-JHUUHBRDSA-N 476.642 5.298 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc4ncccc34)CC2)c1 1832629559 UCZUIUWBRUMEMP-KPURRNSFSA-N 494.639 5.338 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)CCC1 1832785345 AORKHESGYWHVLI-HSZRJFAPSA-N 486.641 5.377 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)CC1 1836696320 CAWBWQDCQSKCCU-UHFFFAOYSA-N 493.673 5.191 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)C2)c1ccccc1 1844336116 WDCUEYLFEFIZRV-JOCHJYFZSA-N 493.529 5.201 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C3)c1 1846829938 HIRCZJUXLNTDKP-HNNXBMFYSA-N 475.898 5.117 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)c1 10171024 VDJPJYUYUMEUKP-UHFFFAOYSA-O 475.540 6.404 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1ccc2c(c1)CCC2 10172425 BCTROCVBMXEAFY-UHFFFAOYSA-O 481.597 6.012 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccc(Cl)cc1 10240295 QNXDTGKGHQVVSE-LJQCHSNASA-N 457.043 5.350 30 20 JKED C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1ccc(Br)cc1 10611562 CEMAGHVVEBJMRJ-UHFFFAOYSA-N 471.355 5.980 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(F)c(Cl)c1 10761122 MDELNHBFJRCECM-UHFFFAOYSA-O 453.990 5.869 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)o2)cc1 11647533 FSRKMIXOODDMDN-UHFFFAOYSA-N 496.567 5.103 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(C(C)(C)C)cc2)s1 22731096 SYKRRWQBNWUNQY-UHFFFAOYSA-O 478.490 6.999 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)nc1C 22972842 KCRLITMRTPOSML-UHFFFAOYSA-N 489.051 5.522 30 20 JKED N#Cc1cccc(NC(=O)CCSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c1 26226304 UNOWKZVPYNAVQF-UHFFFAOYSA-N 451.983 5.706 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 36774021 JSYWJGSFRZXFKG-CYBMUJFWSA-N 468.069 5.153 30 20 JKED COc1ccc(CN(C)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 115589421 TYUXICWUHXHUSA-UHFFFAOYSA-N 475.364 5.330 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)c3ccccc32)c1 195624685 HFQJISMXRKSHKH-GOSISDBHSA-N 466.990 5.485 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ccccn2)no1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 302970874 SGDJRSORXLTFMQ-UHFFFAOYSA-N 486.384 5.714 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)cc1 303089924 CVMFGUDWZLIUCX-UHFFFAOYSA-N 464.550 5.750 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(c2ccccc2Cl)CCOCC1 303253421 BWEOELHKUJARPF-UHFFFAOYSA-N 460.961 5.786 30 20 JKED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)CC1 410331167 USKCXXWLJFBPGJ-UHFFFAOYSA-N 453.586 5.116 30 20 JKED Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4ccc(Oc5cccc(C#N)c5)cc4)c3)cc21 475228446 BTWUEIHBISRARK-UHFFFAOYSA-N 461.481 5.257 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c2)cc1 486046749 SRTPHYOGXLKJTI-UHFFFAOYSA-N 497.576 5.385 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)s2)c(C(F)(F)F)c1 487391970 YJGAHOPWYPHHBI-GOSISDBHSA-N 488.516 5.066 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C 502681812 UGVLGNVAFDCTLN-UHFFFAOYSA-N 460.347 5.465 30 20 JKED N#Cc1ccc(C(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)o2)cc1 504241951 UPSRBJRZULFPSV-UHFFFAOYSA-N 482.952 6.452 30 20 JKED C[C@H](NC(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(C#N)cc1 505363841 HUCQKHPQUFCYPW-IBGZPJMESA-N 463.965 5.056 30 20 JKED COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 507809033 FBFZHZCAHOFNOB-ZWKOTPCHSA-N 475.545 5.054 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 509608728 NNBFENYQGGWGAF-UHFFFAOYSA-N 462.394 5.474 30 20 JKED C[C@@H]1CN(Cc2ccccc2CNCc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C)O1 513589569 XNWVXQYNEVNNHH-DHIUTWEWSA-N 455.602 5.036 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3Cl)o2)CC1 514361392 JLRADSHTGKGYSW-GJGORFQUSA-N 483.421 5.367 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 515195401 IEFXROXJUZMEJC-UHFFFAOYSA-N 463.493 5.303 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccncc1 515353864 ONHPPTDWSHABAT-QGZVFWFLSA-N 477.590 5.077 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3OCc3cscn3)c2)c1 515447938 NQXZQJQWINXLPN-UHFFFAOYSA-N 454.511 5.098 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 515639023 IAYGHYGBNVPMLI-GOSISDBHSA-N 461.562 5.678 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(NC(=O)CCC)c2C)nnc1-c1ccc(Cl)cc1 516339151 NSXGFFGDZUKERK-UHFFFAOYSA-N 484.025 5.562 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 518164928 IZXCUIWYWKPEQX-KSSFIOAISA-N 476.465 6.402 30 20 JKED N#C[C@@H](C(=O)c1occc1CSc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 520429515 PZYZQEFFRUAXFQ-INIZCTEOSA-N 452.507 6.464 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cc2)cc1 520607704 VUPVUHXNBCOQIX-UHFFFAOYSA-N 493.485 5.860 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccnc3SCc3ccc(C(N)=O)cc3)c2)cc1 521495378 WYIYSAFXEOROEQ-UHFFFAOYSA-N 480.549 5.389 30 20 JKED COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3SC[C@H](C)C#N)co2)cc1 521654043 MLDCPRIELDUEIC-MRXNPFEDSA-N 453.589 5.474 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc(O)c2c3c(sc2n1)CCCC3 524078257 SOYMNROKOJIYPZ-CYBMUJFWSA-N 466.975 5.543 30 20 JKED Cc1c(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cccc1OCC(F)(F)F 524359641 FOIAKNNZZYNPTQ-UHFFFAOYSA-N 499.514 5.791 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc([C@H](C)OC)c2)c1 588825467 VOZBPLUTSVKZMV-SFHVURJKSA-N 485.005 5.681 30 20 JKED Cc1nc(C(C)C)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603672774 QRNPTGGFTZTKRL-UHFFFAOYSA-N 450.511 5.765 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)c2cccs2)cc1 603705481 FZJOUWWKKOJXOI-VWLOTQADSA-N 496.592 5.604 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)cn2)cc1 603763727 CEUHSLZOKHUEOX-RUZDIDTESA-N 493.523 5.276 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603764439 GIKARUMMGKKFFA-UHFFFAOYSA-N 476.945 5.995 30 20 JKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 608887172 PRJVJRHCNGNNGJ-JOCHJYFZSA-N 499.514 5.034 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccccc3Oc3ccc(Cl)cc3Cl)CC2)nc1 608950544 DJTWJIYMHSTLCH-UHFFFAOYSA-N 467.356 5.451 30 20 JKED CC(C)C[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 608993731 FRANEUDWZFJJSG-NRFANRHFSA-N 459.516 5.027 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(I)c(F)c1 609149442 UGOLJYUEYCOZQR-MYJAWHEDSA-N 483.165 5.070 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4cccc(Oc5ccc(C#N)cc5)c4)CC3)c2c1 609209123 YLXBHSGJNWOPJI-UHFFFAOYSA-N 466.541 6.252 30 20 JKED COc1ccc(-c2nc(CSCC(=O)Nc3cc(Cl)ccc3C#N)cs2)c(OC)c1 609236299 RFVHBRNHPNJQSZ-UHFFFAOYSA-N 459.980 5.224 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609427724 GHEOFLYANVENLV-LJQANCHMSA-N 479.627 5.548 30 20 JKED Cc1nc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 613320001 PXKFFTGZHPZDQX-LJQANCHMSA-N 482.055 7.011 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc(-c2c(F)cccc2F)cs1 620304607 SNHKZERMQNBDEE-GOSISDBHSA-N 474.492 6.222 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cn2cccn2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281690 OYWPDKBZLBOWKT-SFHVURJKSA-N 453.354 5.852 30 20 JKED O=C(NCc1ccc(OCC(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642692785 DAMFIQJWOKCVAY-RYUDHWBXSA-N 466.344 5.336 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-n3nc(C)cc3C)c2)nnc1-c1ccc(Cl)cc1 643171562 QFXNONMQQPYPOX-UHFFFAOYSA-N 479.009 5.318 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3cccc(Br)c3)o2)c(OC)c1 725850105 KFNVNWGDDDOMII-UHFFFAOYSA-N 485.363 5.156 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2c(c1)CCC2 726394615 WHLFUKUGWYLOHV-DVECYGJZSA-N 479.646 5.177 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 726413882 VKSAKTKBJQRQCU-NBGIEHNGSA-N 482.609 5.401 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 726572387 AWCFOEYAQYHXOR-UHFFFAOYSA-O 483.563 6.148 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727627707 PFEZQYSESBOSBC-QGZVFWFLSA-N 473.385 5.167 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]3Cc3ccc(Br)cc3)o2)cc1 728020889 GKFNDSQIPSQTLD-FQEVSTJZSA-N 465.347 5.340 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 728029012 TWTNTHLLNIYFEF-VGSWGCGISA-N 499.567 5.310 30 20 JKED C=CCn1c(S)nc2cc(C(=O)Nc3ccc(OCc4cccc(F)c4)cc3C)ccc2c1=O 728081606 DWSYLPXHJUPSMX-UHFFFAOYSA-N 475.545 5.150 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3NC(=O)c3ccsc3)cc2F)c1 728193662 WFYFARWOMCLOOM-UHFFFAOYSA-N 471.513 5.842 30 20 JKED Cc1cc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(C)n1-c1ccc(C#N)cc1 728275121 ZAQNDZKRXYALGK-UHFFFAOYSA-N 451.408 5.287 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 728424277 XNVXJYYNBMOKDI-NTKDMRAZSA-N 483.597 5.292 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)cc1 728776303 AZYVDSFJFHUORN-JOCHJYFZSA-N 484.572 5.742 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)cc1 728777743 NOPWVGRAXWDTCX-QHCPKHFHSA-N 478.618 5.356 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729146888 ZZWXKCLDGCQGPI-TZIWHRDSSA-N 459.974 5.088 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1C 730502594 WHPROPOPJNUANA-LJQANCHMSA-N 493.601 5.307 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)CCc2nc3cc(Cl)ccc3s2)nc1C 730587622 OOJNKPCPNLFDKM-UHFFFAOYSA-N 477.040 5.019 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cocn2)C1=O)Nc1ccccc1F 730715521 GRPLPTAXIHLQIC-SFHVURJKSA-N 493.347 5.281 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)cc1 730715987 NCWVVPUBBUPZGH-OAQYLSRUSA-N 482.993 5.359 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 731060020 PSAOQNHUVKLMKX-KRWDZBQOSA-N 458.539 5.500 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2Cl)o1 731064924 TYEMKVXQZQPCJQ-HNNXBMFYSA-N 454.935 5.790 30 20 JKED Cc1ccc(-c2ncc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)c(C)c1 731077128 GHBWNPCXNCRIAJ-MRXNPFEDSA-N 465.600 5.474 30 20 JKED Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)c1 746346331 PKLJEDRSZGWGQS-QUMQEAAQSA-N 458.606 6.267 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)cc1 746416436 JEYOQHGUBFLGHK-FQEVSTJZSA-N 454.511 5.154 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1cccc(C#N)c1 747253861 BXPOYZJVLIMSCC-LBPRGKRZSA-N 460.342 5.101 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)c1 747601223 UNLUPPLQTRTZFJ-HXUWFJFHSA-N 468.579 5.060 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1 751084897 PTEXSMPHTZNENP-SFHVURJKSA-N 465.410 5.333 30 20 JKED O=[N+]([O-])c1ccccc1-c1ccc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)s1 812432330 DAWWQWYRIFAHFH-UHFFFAOYSA-N 473.486 5.354 30 20 JKED C[C@@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 813320234 PLKCLHOOMQXSPY-OAHLLOKOSA-N 456.889 5.006 30 20 JKED COc1cc(-c2cc(C(=O)N(O)Cc3ccc(F)cc3)c3ccccc3n2)cc(OC)c1OC 901379133 QLSXJQZMGBQJOZ-UHFFFAOYSA-N 462.477 5.098 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(-c2nc(-c3cccnc3)no2)c1 904324842 SXQPNCLRHJWFHC-UHFFFAOYSA-N 486.475 5.199 30 20 JKED N#Cc1ccc(N2C[C@@H](c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)CC2=O)cc1Cl 904507733 HJWOARXALMGICT-INIZCTEOSA-N 475.867 5.109 30 20 JKED C=CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 913367484 JQXQQLPLQIGVNK-UHFFFAOYSA-N 477.369 6.056 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H](C)c2ccco2)c1 914495951 NHCGCCANAFQURD-QGZVFWFLSA-N 458.967 5.148 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1 914601508 UGDYCZDUOORXNF-VWLOTQADSA-N 487.625 5.061 30 20 JKED N#C[C@@H](C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102779 HHDMLWRTRPANAI-SFHVURJKSA-N 497.407 5.710 30 20 JKED COc1cccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1OC 915103151 PDOPGXKKXLNEFG-MRXNPFEDSA-N 461.370 5.943 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 915281064 KHQUPJFZJATJPX-UHFFFAOYSA-N 497.320 5.639 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2ccc(Cl)cc2Cl)cs1 915924740 FFQBSGLRNRYQJH-UHFFFAOYSA-N 492.457 6.072 30 20 JKED O=C1/C(=C\c2ccc3ncccc3c2)CN(c2cnccn2)C/C1=C\c1ccc2ncccc2c1 915993429 QCXQNQUYKNZZDZ-QTCLYGBFSA-N 455.521 5.129 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(C3CCCC3)C2=O)c1 916209044 CXJYKWOXJBJIQR-NRFANRHFSA-N 488.009 5.260 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1Cl 916209539 MPRGBPQKOVPKCZ-IBGZPJMESA-N 480.417 5.299 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1 916210136 BEKOOJUCHXKXSW-LJQANCHMSA-N 489.475 5.181 30 20 JKED CCOc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCc1ccccc1 916546245 HSOHLCIBNBLOIJ-UHFFFAOYSA-N 479.005 6.084 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccc(F)cc1 916886540 HTOOAIJRXWDKIK-FQEVSTJZSA-N 457.477 5.509 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccccc3Br)cc2)c1 916897506 NARFZJDFZWWWDI-HXUWFJFHSA-N 463.331 5.298 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 916928802 USOIXYNVCJBODM-IBGZPJMESA-N 456.329 5.371 30 20 JKED N#C[C@@H](C(=O)COc1ccc2cc(Br)ccc2c1)C(=O)Nc1ccc(Cl)cc1Cl 916932527 XQRUFRJTCDPJLC-KRWDZBQOSA-N 492.156 5.635 30 20 JKED CCc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)cc1 917042412 FDTOBJPXMFBDTC-YOEHRIQHSA-N 457.477 5.107 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@H](C#N)c1nc3ccccc3o1)c(C)n2C(=O)c1ccc(Cl)cc1 917509820 AYMOBLDWQVLRJZ-QFIPXVFZSA-N 497.938 5.860 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)N3CCc4sccc4C3)c2C#N)C1 917599124 HISVDJADBHPCBJ-MRXNPFEDSA-N 455.649 5.136 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)s2)c1 917666960 SKQCBVHYCJUNJV-NRFANRHFSA-N 465.600 5.226 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccnc(C)n2)cc1 917682956 NSRBWDLTKLJOFD-JOCHJYFZSA-N 494.020 5.216 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 918548180 OGJVDGXFBDYNHG-VWLOTQADSA-N 457.961 6.122 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)cc1 919825709 RAADJDTYEMJEEO-UHFFFAOYSA-N 470.554 5.511 30 20 JKED N#C[C@H](C(=O)CCNC(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111637 XLOKRVPDGRQZMS-MRXNPFEDSA-N 462.333 5.252 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC2)C1=O 920171170 SGVCFEBSTAIOSE-GOSISDBHSA-N 492.384 5.123 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)c1 920805518 CZKWCJQRKLKXNF-SJLPKXTDSA-N 480.540 5.517 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nnc1[C@@H]1COc2ccccc2O1 921163521 PUQPQCULCPAQBC-QHCPKHFHSA-N 492.601 5.148 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)COCC(F)(F)F 921252275 GJTQJJYBTGVXIC-DNVCBOLYSA-N 497.514 5.062 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)COCC(F)(F)F)c1 921252975 LMRNALMRPMSTMR-BEFAXECRSA-N 497.514 5.062 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)CSC4CCCC4)CCC3)cc2)c1 1786036273 ZFTKVHXVVHOFSN-UHFFFAOYSA-N 461.631 5.301 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5ncccc5c4)cc3)CCC2)cc1 1786556959 MHRZREVJEANYNN-UHFFFAOYSA-N 474.564 5.291 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3ccc(F)c(F)c3)cc2)CCC1 1787790085 XPWRNLNRCLYVQO-ZHACJKMWSA-N 480.536 5.142 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CC[C@@H]4CNc5ccccc5C4)cc3)CCC2)c1 1788067213 HXJKZWPGCXNYOW-QFIPXVFZSA-N 478.596 5.371 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788368002 MOVBGJWBLCSYMH-QGZVFWFLSA-N 479.964 5.334 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4cc(C)ccc4n3)cc2)CCC1 1788942163 VGEWXJHAVSJCQG-IBGZPJMESA-N 458.562 5.092 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]c4ccoc4c3-c3ccccc3)[C@H]2C1 1789147734 CKQXEARCDJVBBQ-FUDKSRODSA-N 489.616 5.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4Cc5ccccc5O4)cc3)CCC2)c1 1789175739 XADOMHAGBQBPIV-BCHFMIIMSA-N 465.553 5.065 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)ccc5s4)cc3)CCC2)c1 1789291788 QTXMZFDSRAJKTA-UHFFFAOYSA-N 458.518 5.302 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4[nH]nc(Br)c4c3)cc2)CCC1 1789382698 SYAKVCRYXPMYES-UHFFFAOYSA-N 493.405 5.267 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccn4cncc4c3)CCC2)cc1 1789508063 IJYYCILOBVVHJV-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)CCC1 1789870149 QVJHVTGEIFXMDJ-UHFFFAOYSA-N 463.887 5.305 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4)CCC3)cc2)c1Cl 1790083181 UXJRQTDGCQIECW-UHFFFAOYSA-N 465.340 5.322 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CCC1 1790249452 JROVOHKNVMOJHY-INIZCTEOSA-N 461.484 5.254 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3)CCC2)cc1 1790565995 KKUOWHZHWVUAHZ-MRXNPFEDSA-N 461.484 5.254 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cccnc45)CCC3)cc2)c1 1790763658 BEWKXNRNQXHVSH-UHFFFAOYSA-N 464.500 5.307 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)CCC2)cc1)C(F)(F)F 1791305622 WLOVALQHLUIGMW-LJQANCHMSA-N 495.542 5.029 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3)CCC2)cc1 1791585902 RFUJKJFXINEGNQ-QHCPKHFHSA-N 495.595 5.492 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)CCC2)cc1 1791729070 RHRLXXIUFWCKSJ-UHFFFAOYSA-N 482.506 5.294 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)oc2ccccc12 1792240674 NUUWAQVITVDZOM-UHFFFAOYSA-N 479.536 5.440 30 20 JKED COc1cc(Cl)cc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)c1 1792240927 WKCLDLDJYOEYMV-UHFFFAOYSA-N 489.959 5.047 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sc4ccccc4c2Cl)C3)c1 1792940036 HQQAJANKRIRIMG-ACDBMABISA-N 478.017 5.311 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(C(F)(F)F)cc3)CC1)C2 1798594974 YFHXDTKABPNSIV-WKCHPHFGSA-N 462.556 5.368 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)c(F)c2CSc2ccccc2)C1 1799344450 GRBCKBQASCPTOU-ACDBMABISA-N 482.596 5.475 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cc2cccnc2s1 1800504788 OZNRPWRBTXCRDS-OOSCYNTBSA-N 491.616 5.262 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Cc1cccc(Br)c1 1802058390 ZLMLOCAPHAYCCH-QMZRJTEUSA-N 473.455 5.034 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1803078964 GAAWUVURKXKAPK-YIXXDRMTSA-N 496.051 5.368 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1803602800 FNJVJMLFDAKPEY-YSSFQJQWSA-N 499.986 5.028 30 20 JKED C=CC[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(C)(C)CC1)C2)NC(=O)OC(C)(C)C 1804011175 TVUBJFVCZGZOQJ-BXXSPATCSA-N 489.701 5.091 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)C4(c5ccccc5)CC4)C3)CC2)cc(C(F)(F)F)c1 1804899970 JEMUFPFSIGHMII-UHFFFAOYSA-N 495.545 5.154 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Br)c4ccccc34)CC2)C1 1806027241 MHNWOKTXJPINTG-LJQANCHMSA-N 499.449 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)C3CCC(C(F)(F)F)CC3)C2)CC1 1806471887 KAYKMYAAKWHTCS-UHFFFAOYSA-N 456.593 5.579 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1809196393 OUQMKMUVQGQUKM-ZJCBTPCYSA-N 477.008 5.304 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@@H]3CCN(C(=O)CC#N)[C@@H]3c3cccnc3)cc2)cc1 1810602727 WWIJWUQGURERTM-LMSSTIIKSA-N 480.612 5.324 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)cc1 1811361087 VXCWNQCSARONOW-GBXCKJPGSA-N 486.622 5.057 30 20 JKED CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1811976061 FSRGUFKPMGFZRP-BDYUSTAISA-N 475.709 5.015 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1812584918 SXLSXEQZICPLNP-KIVTUJJHSA-N 487.566 5.341 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[C@H]1c1cccnc1 1812587650 LEHOGPQCZOHKDW-VGKYISKLSA-N 493.611 5.157 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1812590738 TVDLILQTSOQLAE-OICBGKIFSA-N 470.617 5.021 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813955787 WYWWHHNMWSFKNU-PXJZQJOASA-N 465.597 5.262 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)[nH]n1 1814567584 KNJBSIXCWQFOGY-HXUWFJFHSA-N 494.393 5.181 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)oc2C)n[nH]1)c1ccccc1 1816415926 KHQUQZZAZRHETP-ZJSXRUAMSA-N 458.562 5.123 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(CC(C)C)oc4ccc(OC)cc34)n[nH]2)C1 1817711448 LUIYQBGWESQAJH-QFIPXVFZSA-N 490.604 5.635 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)[nH]n2)c1 1817738620 DPSJAXGADKTHMQ-ISKFKSNPSA-N 477.634 5.040 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Br)c4ccccc4c3)n[nH]2)C1 1817963990 JXWVUNYZKLBMKC-QFIPXVFZSA-N 493.405 5.598 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)n3C)n[nH]2)c1 1818383043 MEDMAMKARWYINY-BEFAXECRSA-N 498.509 5.014 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCOc2ccccc2)[nH]n1)c1ccccc1 1819518446 QFDVHNLJQPPELD-AOYPEHQESA-N 484.600 5.068 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC#N)[nH]n1)c1ccc(OCc2ccccc2)cc1 1822253390 HGIBZMKVPFDYAE-NAKRPHOHSA-N 499.615 5.334 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1822376654 OPLLXOQUDJQISR-IXYJKLOSSA-N 475.058 5.348 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)sc2c1 1823210789 GBOGZFMMAXGXDE-JTSKRJEESA-N 498.612 5.575 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1)NC(=O)OC(C)(C)C 1823348453 XAIRVWGMTJVYKG-CMXLANDRSA-N 499.656 5.008 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1823752341 CYOWZJIGNWWIPK-NRFANRHFSA-N 471.045 5.394 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc3c2CCCO3)CC1 1824141195 KOWQMTOEAVKSKD-HSZRJFAPSA-N 456.652 5.075 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)c1 1824235301 GQPDHQXRMZHERH-YPCDYVTLSA-N 495.545 5.013 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2OC)CC1 1824321230 JGGNYAYMLPNLLD-JWQCQUIFSA-N 452.639 5.016 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](S)C(C)C)CC1 1824539524 NINREYGWHHBZGD-AHWVRZQESA-N 479.690 5.245 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)CC2)c1 1824649729 NVIJWNFJHZFVNF-CTUHWIOQSA-N 471.592 5.372 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 1824761904 GNVJRZYTITWYPB-JWQCQUIFSA-N 497.680 5.006 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825574297 RPNWRMDEFTVKDY-AHKZPQOWSA-N 477.624 5.823 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2Cl)CC1)c1cccs1 1827683830 LJVPFSGHASWUND-XTXLJPNXSA-N 489.012 5.213 30 20 JKED Cc1cccc2cc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)[nH]c12 1827696878 HNXFTJIFZOHMMD-OXJNMPFZSA-N 483.597 5.100 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734408 DFBDLYDXOSVFNJ-RDGATRHJSA-N 499.051 5.406 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1827805538 QCWLUYSMZIQPTK-NRFANRHFSA-N 456.011 5.129 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccc(C)cc2)CC1 1828342271 CQGRPHVONMGVOV-RPBOFIJWSA-N 454.680 5.475 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1828889464 RLIRJAFRBLTNRT-XUZZJYLKSA-N 468.663 5.016 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(Br)c2)CC1 1829172804 ZIKVSTCNYFFXRH-FQEVSTJZSA-N 476.459 5.070 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1829457594 RKMAKSVIGBBIND-HSZRJFAPSA-N 499.442 5.126 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(ccc5ncccc54)s3)CC2)c1 1829576885 KIKLOVYFNDRFLA-DEOSSOPVSA-N 497.624 5.196 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)CC1 1829596915 SRUOGRXSPFLBRJ-HSZRJFAPSA-N 486.641 5.433 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829756557 LPBDGXGVWKZWOK-RUZDIDTESA-N 481.040 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)CC1 1830291384 IMPPFRPEADUNAT-SHQCIBLASA-N 477.624 5.305 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830993728 NKZQOKQNCPEKAU-UNMCSNQZSA-N 462.059 5.009 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831745242 QJBJMVIXGCLAHZ-RCZVLFRGSA-N 487.710 5.039 30 20 JKED CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CCCCC1 1831793967 TXMXWTUZHLEYSP-ZJVMWOEPSA-N 456.652 5.077 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CC1 1835683288 XCQWBBOMTUIZNL-FQEVSTJZSA-N 496.454 5.086 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)CC1 1836748592 SROVOHJEHBMXNN-ZEQRLZLVSA-N 495.129 5.033 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccccc1OC 10658770 CSDZNLKLFNXXQR-AWEZNQCLSA-N 452.609 5.197 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1cccc(Br)c1 11084531 ZMQCUAFCBURETH-UHFFFAOYSA-O 485.383 5.258 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1cccc(O)c1)c1ccc(-c2ccccc2)cc1 11247416 JNQAUTMHZBGKED-UHFFFAOYSA-O 461.513 5.676 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(OC)cc2)nc2scc(-c3ccccc3)c2c1=O 12848093 WITJISSIFIIWGP-UHFFFAOYSA-N 491.638 5.070 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(\S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1C 14872494 LABAYLMNVCGTEM-UHFFFAOYSA-O 463.642 6.695 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1OC 16863541 HPIJKLWQPJLNNZ-OAHLLOKOSA-N 487.423 5.330 30 20 JKED CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2scc(-c3cccs3)c2c1=O 20072607 XMUJRCGMBFVIDG-UHFFFAOYSA-N 466.613 5.003 30 20 JKED Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2SCC#N)n1-c1ccccc1 22162637 QTXZAJJWSLQWDL-UHFFFAOYSA-N 461.572 5.182 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(C(=O)OCC)cc2)cc1 22727551 VDSVMFYDHHHULU-UHFFFAOYSA-O 467.636 5.524 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(C(C)(C)C)cc2)s1 22728268 MTZXHNYJGPXXKN-UHFFFAOYSA-O 458.072 6.654 30 20 JKED COc1ccc(-c2nnc(SCC(=O)OCc3ccc(-c4ccccc4C#N)cc3)o2)cc1 23401354 LYDVVTQQRPXWTO-UHFFFAOYSA-N 457.511 5.119 30 20 JKED CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nnc1-c1cccnc1 23516441 ZMPLOICJVUTSLP-GOSISDBHSA-N 468.586 5.444 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccoc1C 23518986 NXESXQORDVNZNG-KRWDZBQOSA-N 474.611 6.343 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(C)cc2OC)ccc1OCC(=O)Nc1ccccc1Cl 24717891 IJGTZTLGUZJCPI-FMIVXFBMSA-N 465.933 5.579 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 25439192 WMPKYJPNCYWYEB-UHFFFAOYSA-N 488.396 5.848 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1 25837846 UZYGMGNORIXFNI-RUZDIDTESA-N 468.532 5.088 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1OC 26796077 BUYYULZMFWPKJQ-AWEZNQCLSA-N 462.497 5.278 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccco1 45643329 YQGDQJVBNGQFDN-OLZOCXBDSA-N 451.379 5.389 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1Cl 107876905 XFOZDWFIVYFWCZ-GBXCKJPGSA-N 499.954 5.023 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 195549044 XHTXBQBBHDQQCZ-RUZDIDTESA-N 458.537 5.323 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 195611391 XIJNHFIHHZIZDJ-UHFFFAOYSA-N 481.409 5.650 30 20 JKED COc1ccc(-n2nnc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c2C)cc1 195622699 YFELMMKRCXOFJX-JOCHJYFZSA-N 457.921 5.146 30 20 JKED CC(=O)N(c1nc(/C=C2/CSc3ccc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 206384094 MCPCWEDSUBVGQV-SDQBBNPISA-N 462.930 6.131 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 214797416 SCLAWPVINJUCHJ-QINSGFPZSA-N 450.538 5.220 30 20 JKED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 303121043 PVQSRWZBLQNKIR-SFHVURJKSA-N 489.409 5.142 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2cccc3ccccc23)C2CCCC2)CC1 303194955 NDRAZBSJDVURSS-UHFFFAOYSA-N 494.595 6.147 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 409556177 POLRCCOBXYFWLS-NRFANRHFSA-N 460.043 5.284 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 487760914 OXDAMCOUBWCFKH-UHFFFAOYSA-N 489.556 5.903 30 20 JKED C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccccc1OC(F)F 499351107 QAPBROBRUXLLIG-NSHDSACASA-N 493.354 6.002 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S[C@@H](C)CC)cc3C(F)(F)F)cc2C1=O 499568471 BZHJBMGFYPSKKN-ZDUSSCGKSA-N 462.493 5.630 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)nnc1-c1ccc(Cl)cc1 500543684 GQFSNSAHVFIONN-UHFFFAOYSA-N 480.037 5.433 30 20 JKED C[C@@H](Cc1ccccc1F)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 500933484 CIVNKQUBOOBDSP-LBPRGKRZSA-N 459.365 5.410 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 502643936 IGSIHZGGNFDVCV-MZNJEOGPSA-N 472.976 6.227 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 503338957 HNPJNRNDZPYYSI-UHFFFAOYSA-N 468.534 5.577 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)ccc2I)cc1 505697767 MVBDUHNGCVQZQH-UHFFFAOYSA-N 484.293 5.525 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COc2ccc(C#N)cc2Cl)cs1 505871267 ADUWEZWFTCTMBK-UHFFFAOYSA-N 451.857 5.951 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2cccc(Br)c2)cc1 508265168 BVSVJBRGELSDJM-UHFFFAOYSA-N 466.335 5.786 30 20 JKED CCN(C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)[C@@H](C)c1ccc(C#N)cc1 509587402 LEURGHGRDLKFTO-KRWDZBQOSA-N 476.374 5.796 30 20 JKED CSCC[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)N1C(=O)c2ccccc2C1=O 511552610 HPUSEKDLZCHJOD-DEOSSOPVSA-N 485.565 5.015 30 20 JKED COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 511668079 QVFFNAJRDRYULY-GOSISDBHSA-N 450.589 5.159 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4cccs4)n(-c4cccc(F)c4)n3)n2)cc1 512490434 XXQMFNJKYCOSMV-LJQANCHMSA-N 496.552 5.620 30 20 JKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc(C(F)(F)F)cn1 513176233 OWNRXYMERVSPSP-HNNXBMFYSA-N 457.412 5.039 30 20 JKED Cc1csc([C@H](C#N)C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)n1 513661915 WZMDVOFXKOIGDR-MRXNPFEDSA-N 458.312 5.096 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 514350530 OBQCZLZYULDPTD-UHFFFAOYSA-N 461.374 5.201 30 20 JKED C[C@H](c1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1-c1ccccc1)N1CCCCC1 515163921 PZHGCYPFFYHABS-OAQYLSRUSA-N 498.656 5.658 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(Cl)c1OCC(C)C 516270000 JGIAUGAZOYGBJL-GOSISDBHSA-N 465.962 5.869 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1cccc(COCc2ccco2)c1 516305060 CGEVPRBMAOUKDM-UHFFFAOYSA-N 495.535 5.224 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 517467159 NRBAKQJFTBVASW-OAQYLSRUSA-N 493.526 5.836 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 518140914 IHJCOOPQKNRGDU-SFHVURJKSA-N 450.585 5.165 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 518248377 GHIVSMGBSNORKR-RYUDHWBXSA-N 454.354 5.343 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 518248926 QNZYITKCYHBJOI-UHFFFAOYSA-N 488.613 5.424 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 518660144 MNHZXXCFPFWJNB-MRXNPFEDSA-N 469.563 5.131 30 20 JKED COc1cc(OC)c2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)[nH]c2c1OC 518872876 FIFHJXZCICUPLW-GFCCVEGCSA-N 469.469 5.085 30 20 JKED O=C(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)c1cc(F)c(F)c(F)c1F 520318131 USKFBDRDBKYYQZ-UHFFFAOYSA-N 484.324 5.822 30 20 JKED COc1ccc(C)cc1-n1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)n1 520482385 FLXQLUNZYKTZMY-UHFFFAOYSA-N 497.502 5.379 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 520940120 FNBMXZRNVNTCHY-AEFFLSMTSA-N 482.009 6.196 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 520940451 RXMNPTMBCGGAGU-AEFFLSMTSA-N 465.554 5.681 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 520940453 RXMNPTMBCGGAGU-SJLPKXTDSA-N 465.554 5.681 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccsc2)nc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 523184485 GBYRLSPVMFMDTA-UHFFFAOYSA-N 495.651 5.478 30 20 JKED COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524392744 CBMFFWUEVRDJSW-KRWDZBQOSA-N 450.922 5.343 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 553455264 MQPRBEWNOORYIZ-KRWDZBQOSA-N 489.563 5.524 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(F)cc4)c4ccncc34)CC2)c1 560744032 WBYSUYICVBSHGB-UHFFFAOYSA-N 482.515 6.113 30 20 JKED N#Cc1ccc(F)c(CSc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)c1 588925382 UIQIEALOJKFHEP-UHFFFAOYSA-N 474.952 5.622 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)CSCc1ccc(C#N)cc1 603732283 GRRFCSHJURJXSH-UHFFFAOYSA-N 458.612 5.364 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 603974673 FQVPGTRXHZMPLH-UHFFFAOYSA-N 467.856 5.527 30 20 JKED Cc1nc(COc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2)no1 604027387 WRXYTCJEBLMDPY-UHFFFAOYSA-N 460.877 5.527 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604134565 VJLXSIOQLSZUDL-RUZDIDTESA-N 456.546 5.321 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2cccs2)cc1Cl 604156487 ISDPLXHOIQTMRD-HSZRJFAPSA-N 489.984 5.817 30 20 JKED N#Cc1c(NC(=O)CCN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)sc2c1CCCCC2 604276293 IEUHBGIDMQARNA-CHWSQXEVSA-N 467.479 5.280 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 608865746 QMTBTOHOLBNWQS-UHFFFAOYSA-N 496.954 5.629 30 20 JKED COc1cc(C(=O)Nc2ncccc2OCCCC#N)ccc1OCc1ccccc1Cl 608883350 NOWGGTPWWBIEKB-UHFFFAOYSA-N 451.910 5.257 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 608889974 SEZFVBCSBDZUJQ-UHFFFAOYSA-N 499.493 5.818 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cc2Cl)cc1 608995213 CLHHATKJNQHDLA-HSZRJFAPSA-N 451.885 5.748 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)O[C@@H](C)C2 609326822 IMBUAZNILQBVLN-JFJYTDJESA-N 455.514 5.210 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 609377945 LPFYXNMKBVUDSN-RTBURBONSA-N 479.627 5.230 30 20 JKED C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613402580 DFZGLUTXMGYYRU-KBXCAEBGSA-N 474.007 5.003 30 20 JKED N#C[C@H](C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1nc2cc(Cl)ccc2s1 613403623 RLPXVJCYSCKCQX-LJQANCHMSA-N 471.925 5.236 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CC(F)(F)F)c2ccccc2)nnc1-c1ccc(Cl)cc1 615053591 HCNFAANDGMKWCG-GOSISDBHSA-N 480.943 5.687 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 648092708 PYFUDSLDYUSQKD-UHFFFAOYSA-N 493.610 5.020 30 20 JKED O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 726287086 IDOFRZHCNJDBFE-YUMQZZPRSA-N 498.823 5.619 30 20 JKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726364358 LVIWNIAUIKPDEC-UHFFFAOYSA-N 469.444 5.485 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@H](C)Cc2ccco2)c1 726405195 KZQVYTJVQNAAPD-IQGLISFBSA-N 499.592 5.055 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCc1ccccn1)c1cccs1 726422394 VXEWSWMDUABAAV-VBUNTTMDSA-N 499.061 5.429 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 726691504 FJZKOCRXYPBXON-UHFFFAOYSA-N 480.476 5.022 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1c(F)cccc1F 727626904 IPCPKBXVDGOCNI-KDOFPFPSSA-N 494.350 5.839 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(OCC#N)cc1 727650373 KDWWPMGNPZGUTR-DEOSSOPVSA-N 498.608 5.366 30 20 JKED N#Cc1ccc(N2CCC[C@H]2C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cc1 728163264 XQFAVWWZUUURFC-QHCPKHFHSA-N 490.357 5.147 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCCCC#N 728776282 ONGGMCAXXZBOQB-NRFANRHFSA-N 483.037 5.919 30 20 JKED Brc1ccccc1-c1nc2c(s1)C(=NNc1nncc3ccccc13)CCC2 730429261 AMYYLIZPYZLACL-UHFFFAOYSA-N 450.365 5.668 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C2CCC2)C1=O 730461959 JDHXNLOSGDPQIU-OAQYLSRUSA-N 482.993 5.042 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCCC3)C2=O)cc1OC 730537482 UQEOYWOCFRKKAB-JOCHJYFZSA-N 485.581 5.054 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730687010 LAYUENBRSAZKNW-QLFBSQMISA-N 451.737 5.415 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2Cc2cocn2)c1 730711215 AUGZJFSIDOPMFD-LJQANCHMSA-N 489.384 5.450 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O 730717614 PSSQPBGSCSRIBO-NRFANRHFSA-N 498.992 5.277 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2ccccc2Br)n1C 731332586 OVKUQIILRKKHRA-OAHLLOKOSA-N 454.393 6.101 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 743526546 VWDTYJYOFAFBGO-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccccc2C)n(Cc2ccco2)c1=S 745162192 KWONHDYPADHJBZ-UHFFFAOYSA-N 455.587 5.548 30 20 JKED COc1cc(C(=O)/C=C\c2cccc(OCc3cccc(C#N)c3)c2)ccc1S(=O)(=O)C(F)F 747066763 ODRDYFNMWYTFEK-NTMALXAHSA-N 483.492 5.038 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1 747295578 VXFUREOGMISLHI-MHZLTWQESA-N 471.564 6.062 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3c(F)cccc3F)CCCC2)cc1 750372218 UONORSPXYKQFNH-QFIPXVFZSA-N 473.523 5.187 30 20 JKED CC(C)C[C@@H](C)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc2[nH]ccc2c1 750826535 PDBFYZKEALUMFJ-LJQANCHMSA-N 485.588 5.972 30 20 JKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)cc1 849537118 SLDVFTUOQCAEQS-HHHXNRCGSA-N 484.600 5.505 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NCc2c(Cl)ccc3cccnc23)cc1 864001172 RCZSMELKEMHBHD-HPNDGRJYSA-N 456.999 5.093 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 912817749 LUSQXDMTRZHYCY-UHFFFAOYSA-N 481.559 5.063 30 20 JKED N#C[C@H](C(=O)CCc1nc(O)c2ccccc2n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103137 PBTUIXSPNPZIOI-OAHLLOKOSA-N 469.353 5.575 30 20 JKED N#C[C@@H](C(=O)CCn1cnc2sccc2c1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103372 UIISULYGRXNSCX-AWEZNQCLSA-N 475.382 5.155 30 20 JKED Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1NC(=O)c1ccccc1F 915283336 MEVNOGNZWOJCAC-VWLOTQADSA-N 463.512 6.294 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1 915576737 LPMLGNBNDYPHOR-KRWDZBQOSA-N 460.534 5.024 30 20 JKED Cc1sc(=O)n(CC(=O)N(Cc2ccccc2)c2ccccc2C#N)c1-c1ccc(F)cc1 915851123 NIQXLPDURUEDMY-UHFFFAOYSA-N 457.530 5.129 30 20 JKED COc1cc(/C=C/C(=O)c2cc(F)ccc2F)ccc1OCC(=O)Nc1ccccc1Cl 916134474 KTGGBWIGPUHDKF-UXBLZVDNSA-N 457.860 5.540 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CC1 916206556 SKDZXKUMKNOEBS-SFHVURJKSA-N 492.826 5.534 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc2ccccc12 916217273 JIAYRQANNBTLMZ-XMMPIXPASA-N 491.613 5.235 30 20 JKED COc1ccc(/C=C2/N=C(SCC(=O)[C@H](C#N)c3ccccc3)N(c3cc(C)cc(C)c3)C2=O)cc1 916622815 MYARUDOZNXKXSK-HLHNIQGOSA-N 495.604 5.665 30 20 JKED COc1ccc(OC)c2c1CN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C[C@H]2O 916684253 UZWKIJJIZJTOQB-DENIHFKCSA-N 477.948 5.094 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1sc2cccc(Cl)c2c1Cl 916887505 NHAGCRJKQKNUKG-LLVKDONJSA-N 471.337 6.484 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 916909516 KLNVLOXSTNABSM-IBGZPJMESA-N 468.376 5.025 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(Cl)cc4Cl)cc3)o2)cc1 916928686 QVJWJSZUCJQKRK-IBGZPJMESA-N 491.334 5.980 30 20 JKED CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c2cnn(C(C)C)c2n1 916944505 GMKQOIOSQALGFR-QGZVFWFLSA-N 458.349 5.404 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 916954127 FVASYQABUCKCAH-BXKMTCNYSA-N 471.557 5.090 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976586 SOXNMMZNHHTZJY-RDTXWAMCSA-N 456.354 5.346 30 20 JKED CC(C)C(=O)Nc1nc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 916997266 UPLDDSVKZYFPLK-AWEZNQCLSA-N 479.414 5.587 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2C)cc1Cl 917044172 QZPFSUSTSSOUTK-SFHVURJKSA-N 467.907 5.615 30 20 JKED CCN(CCC#N)C(=O)CSC1=N/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1cccc(OC)c1 917155787 AKDDHJIIXULRKU-LFVJCYFKSA-N 490.629 5.058 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)c1 917666527 GTLVKOQRKIQUTJ-XMMPIXPASA-N 488.613 5.176 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2ccsc2)C1=O 917674428 PZEWFBFHSZFVON-QFIPXVFZSA-N 479.627 5.534 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2)n1 917678883 RKFJATBNCHSKLG-NRFANRHFSA-N 464.978 5.204 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCC1=CCCCC1 917702346 FJJSHFSEINGGDE-QHCPKHFHSA-N 476.577 5.548 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1 918610791 STLQSDQFJGFVIY-YYDJUVGSSA-N 485.656 5.106 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920108156 AWLVUQQBEZFESJ-KKSFZXQISA-N 496.032 6.089 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 920110640 FGRYEJKVHZPROB-SVMVAKDDSA-N 485.544 5.638 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCc3ccc(Br)cc3)n2)cc1 920142356 OSMPGTJXQYPFAE-FQEVSTJZSA-N 464.388 6.034 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCc2ccccc2Cl)cs1 920373614 KMAPBBOPCGOHIG-UHFFFAOYSA-N 452.889 5.624 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cnc(-c3ccccc3F)s2)c1 920698701 PIHKDMHKKIDEBN-KRWDZBQOSA-N 451.523 5.058 30 20 JKED CN(C(=O)COC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12)C(C)(C)C#N 920705288 HRJTUTIRXCDZHV-BQYQJAHWSA-N 498.402 5.147 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1nc(-c2c(F)cccc2F)cs1 920805893 GZXQGSRSOUECEG-CQSZACIVSA-N 498.511 5.355 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CCC1 1785787177 RVEQTFFYGVBVOL-GOSISDBHSA-N 452.407 5.091 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCCNC(=O)OC(C)(C)C)CCC2)cc1 1785842592 WCBBKWTZOHKZLM-UHFFFAOYSA-N 471.642 5.418 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(=O)c5ccccc5o4)cc3)CCC2)c1 1786002590 FHYZFJNQWTWWMV-IBGZPJMESA-N 491.547 5.482 30 20 JKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cn1 1786941307 RQLGZIYIRRJHHB-IBGZPJMESA-N 452.558 5.008 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(Cl)c4)cc3)CCC2)c(Cl)c1 1787386009 VJYQGLROEMVLOC-UHFFFAOYSA-N 465.340 5.322 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CNc4ccccc43)cc2)CCC1)c1ccc(O)cc1 1788048466 JAIIARGYKYRMHH-WXVAWEFUSA-N 493.607 5.233 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc4c[nH]nc4c3)cc2)CCC1)c1ccc(O)cc1 1788451988 XNLUKRVMPZQRKT-OAQYLSRUSA-N 492.579 5.213 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cccc(-c4ccccc4)n3)cc2)CCC1 1788714457 ZSHYCQVOUMZMNU-NDZAJKAJSA-N 478.552 5.208 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)cc2)CCC1 1789191523 LHLYMVDZAZSWBN-TUWCYJGISA-N 464.654 5.199 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4F)cc3)CCC2)c1 1790071656 RKUYSKJKEQECQE-UHFFFAOYSA-N 482.515 5.249 30 20 JKED O=C(Nc1ccc(C2(NC(=O)c3ccc(C#Cc4ccccc4)cc3)CCC2)cc1)c1ccc(O)nc1 1790108091 UKUUIPATXCCBSS-UHFFFAOYSA-N 487.559 5.249 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c(Cl)cccc45)CCC3)cc2)cc1 1790290018 BBVJUYCODULKHN-UHFFFAOYSA-N 469.932 5.149 30 20 JKED COc1ccccc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790705340 TVVNZBHNKXCJKW-UHFFFAOYSA-N 467.569 5.142 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)c(C)n1 1790784943 DNSIEUZHVCZCIT-UHFFFAOYSA-N 492.501 5.650 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5cn4)cc3)CCC2)c(Cl)c1 1790834320 ITXDQGTXGAIGQJ-UHFFFAOYSA-N 470.916 5.414 30 20 JKED Cc1ccc(SCC(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)cc1 1790835164 QRZAZWSUHCXGAE-UHFFFAOYSA-N 495.608 5.283 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5cccc(Br)c5n4)cc3)CCC2)CC1 1790862474 YHALERKSDPFYGX-UHFFFAOYSA-N 489.373 5.049 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CCC2)cc1)C(F)(F)F 1791302531 PEJLKTAMGGXGSQ-ROUUACIJSA-N 464.434 5.321 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)c4ccccn4)cc3)CCC2)c1 1791944249 MSKWXCLXHSHROR-VQTJNVASSA-N 452.558 5.260 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccsc5n4)CCC3)cc2)c1 1792124843 LQGBJPARTNXEFO-QGZVFWFLSA-N 469.570 5.084 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C2 1797102008 CPBQWNQTMNJBKV-CLLJXQQHSA-N 492.391 5.330 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2cc3ccccc3o2)cc(C(F)(F)F)c1 1797702010 IVWGYUQNVKOHCX-DLPOCFIOSA-N 493.485 5.288 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Cl)c3)CC1)C2 1798419777 JRUMGGPGJPHOLS-NUNAXRQHSA-N 471.117 5.061 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C2 1798420433 HHRRJRFVOPMIJG-WKCHPHFGSA-N 464.604 5.008 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1802503731 XFNZNSWPPXYGOG-GCJKJVERSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1803420801 OMOZVMUKNJZCPC-KIFXHHALSA-N 465.663 5.261 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2ccccc2)C3)c1 1803680406 BRODUKQAEVTWNV-ZBCONREDSA-N 479.580 5.672 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(F)cc2Cl)[C@H]1c1cccnc1 1804065616 XIDYLDMQXKEJAU-GBXCKJPGSA-N 472.004 5.115 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CCCC3(CCN(C(=O)/C=N/N4CCCCC4)CC3)C2)cc1 1805363540 CHBCUADXAWBNJR-ONKFKRCOSA-N 492.708 5.135 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)C1 1806678664 OEZFRRJAGBTTBT-UHFFFAOYSA-N 487.669 5.370 30 20 JKED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CCCCCCCCc3ccccc3)[C@H]2c2cccnc2)CC1 1806857061 HUDLUEDOHLNWGW-XCZPVHLTSA-N 486.660 5.365 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)C2)CC1 1807696027 KSENSYHXEIORPJ-XMMPIXPASA-N 463.597 5.434 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808828575 NKDDZYZMOMUCCK-LADGPHEKSA-N 488.657 5.517 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(ccc4ncccc43)s2)[C@@H]1c1cccnc1 1811288079 XXLPODIBSQNOMY-GCOVDLRRSA-N 484.625 5.376 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c(Cl)c1 1811735201 YEAVWKQZLRXLPF-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1813228624 DETCTSQYGBDYNX-LVXARBLLSA-N 486.443 5.221 30 20 JKED Cc1cc(C)cc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1813244834 NHLXWDBFKGNADS-SLTKKEMYSA-N 494.639 5.278 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccnc(C(C)(C)C)c3)[C@H]2c2cccnc2)c1 1813864805 DVTYAKPDFDJUDI-WMBPSLEXSA-N 495.627 5.035 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1813869634 LNRHZHPKXMJSET-MHWZKTQWSA-N 486.660 5.635 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2c2cccnc2)cc1 1814054055 QJDZUKQXWVVVDU-RPLLCQBOSA-N 478.596 5.071 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)cc1 1814379114 BVHQZAMTKRREAV-PCQKWUTHSA-N 459.594 5.043 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)[nH]n1 1814442945 BPAAVVXMZHJLII-QHCPKHFHSA-N 475.593 5.270 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@H](S)C(C)C)n[nH]3)sc2c1 1815249566 YYGFBUSPTLPRTH-LAUBAEHRSA-N 456.637 5.193 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815652151 LYGPFHAFHHOBDG-OFNKIYASSA-N 475.058 5.414 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)c1 1817587625 BHPUGASSQAFFAM-SANMLTNESA-N 494.599 5.020 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CC3(CCC3)C2)[nH]n1 1819386258 FKFFHYCSUUZVHW-NRFANRHFSA-N 454.691 5.033 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1)c1ccccc1 1819521300 LDPRPRUZAIBDRC-DVBNTOJCSA-N 480.559 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)[nH]n1 1819552913 KAUCXKMWBMZGDH-HXUWFJFHSA-N 489.661 5.089 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cccs3)on2)n[nH]1 1819788768 ZBKGKZLPGSIRGL-GOSISDBHSA-N 467.595 5.425 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3sccc3Cl)n[nH]2)c1 1819958971 LEJJERXXXBIOJV-IFXJQAMLSA-N 467.982 5.371 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)n[nH]1 1820172848 RCZAKTKYHPSJRF-CQSZACIVSA-N 458.843 5.103 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OCC(F)(F)F)cc3Cl)n[nH]2)C1 1820186297 AAIHDZPIKXYUCR-IBGZPJMESA-N 496.917 5.276 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)s1 1820486001 QBVUQFITPNNEQY-FQEVSTJZSA-N 476.606 5.090 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)c1 1820588594 ZBJPDVLDOPZSTL-NRFANRHFSA-N 481.478 5.228 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)[nH]n2)cc1 1821179028 NZDIPGZTDBJODW-GRERDSQWSA-N 487.526 5.150 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CC1 1821243117 WPNKMARCLPXXJT-IERDGZPVSA-N 496.409 5.096 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)Oc1ccccc1 1821785041 XVQCZPKVPCSYJJ-JTSKRJEESA-N 491.979 5.098 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(Br)ccc2F)[nH]n1 1821918271 IKZMRJCIJCLTQO-MGPUTAFESA-N 491.405 5.148 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)[nH]n1)c1ccc(F)cc1 1822285635 LKOJLPRTOLERNS-IGKIAQTJSA-N 487.579 5.095 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)[nH]n2)c1 1823211755 IFGVHWPUCWNKDI-JLTOFOAXSA-N 484.482 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=Cc3ccccc3NC(=O)C2)CC1 1823754104 YATACJODOJDUFO-VWLOTQADSA-N 477.649 5.024 30 20 JKED N#CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccccc3Oc3cccc4ccccc34)sc2C1 1823827371 XMKFDGFVLBERII-GOSISDBHSA-N 482.565 5.228 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2SCc2ccccc2)CC1 1823885058 DASOZLSAOIWHDX-DEOSSOPVSA-N 490.673 5.157 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1823888540 NKDSKNXCWOTUQT-SFHVURJKSA-N 458.027 5.338 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1823911518 AHTYSPIMEYJKOC-VWLOTQADSA-N 464.009 5.262 30 20 JKED CC(C)(Cc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1824101724 WQWQSZPTRNDEIR-HHHXNRCGSA-N 471.645 5.255 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)S)CC1)c1ccc(Cl)cc1 1824248992 KOIIJPWRGIMYEK-YHYVQYDKSA-N 451.076 5.018 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1824882540 VIDLZRYWQBQZCG-VWLOTQADSA-N 481.999 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccnc(C(C)(C)C)c2)CC3)c1 1827693846 MIFHDPWAUVXPMH-UZLBHIALSA-N 487.629 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1827729132 RJGORLVNPKASSR-SANMLTNESA-N 492.664 5.311 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2c1 1828582298 MSIVQPCKVWAOOC-PIIWDFAUSA-N 498.627 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1828827812 VWERWIGWNPDPHJ-ISKFKSNPSA-N 473.057 5.740 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879317 HXABUEFOZLIDLM-IMTQHFKKSA-N 471.667 5.021 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)CC1 1829424658 XJSKCLCYBFTHIJ-IEBWSBKVSA-N 469.573 5.164 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829570172 IAARFIXGTHGBON-CYFREDJKSA-N 474.605 5.268 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1829955114 XVHFWJTTXYIUTR-VWLOTQADSA-N 474.992 5.240 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1830110489 HWNGKNSMJAYVDF-RUZDIDTESA-N 494.035 5.086 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCCCC2)CC1 1830358872 QPSIQRMVEZZWGH-RPWUZVMVSA-N 489.701 5.046 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830408969 DCEHXIANVLFQBA-DXMHNEBDSA-N 463.622 5.022 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1830422843 BTZLEQJOVLREHX-VWLOTQADSA-N 467.629 5.537 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)CC1 1830827503 HHYJEMJIHSDAKT-RUZDIDTESA-N 491.680 5.664 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1831857348 GQBPCXNFAJVFCB-RDPSFJRHSA-N 483.653 5.333 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc43)CC2)c(Cl)c1 1831980920 QCHNAKZQWDEPBQ-BVAGGSTKSA-N 476.020 5.175 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1832028472 PIIFTNVHSNVGQI-QDPGVEIFSA-N 478.677 5.004 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc4ccccc4n3C)CC2)c1 1832629395 OYLSESUYXFMBKT-ZTOMLWHTSA-N 496.655 5.281 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1 1832631044 QXXRDDNEOSSLCS-XMSQKQJNSA-N 475.555 5.280 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1)NC(=O)OC(C)(C)C 1832757120 QQZPYQZGKWTFBO-RPBOFIJWSA-N 497.680 5.088 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC=CCC1 1847508352 CHMAMWAIHLDTAQ-SBFWRKJZSA-N 489.701 5.188 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccccc2CC)cc1 10173416 AUAIUYGETJMWFJ-UHFFFAOYSA-O 458.434 6.457 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)n(C2CCCC2)c1C 10319276 RRSRCUBLDPPLAF-UHFFFAOYSA-N 455.971 5.526 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nc2scc(-c3cccs3)c2c1=O 11382560 SCHPERKBNYOAQI-OAHLLOKOSA-N 467.641 5.800 30 20 JKED N#Cc1cccc(C(=O)OCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)c1 14897459 GXPDZSXSGUZHIA-UHFFFAOYSA-N 471.513 5.211 30 20 JKED COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCC(=O)Nc1ccccc1Cl 16408825 JZELNIBMDYLYJM-RMKNXTFCSA-N 479.916 5.033 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2cccs2)nc2scc(-c3cccs3)c2c1=O 16986898 GGIRSCAZHMWKDJ-CYBMUJFWSA-N 473.670 5.231 30 20 JKED COc1cccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)n2Cc2ccco2)c1 21733364 GKCKRXMXDQLYDY-LJQANCHMSA-N 487.585 5.022 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(CO)c1)c1cc(F)ccc1F 22731069 LPBWPKHUYQBRBG-UHFFFAOYSA-O 468.332 5.102 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(CO)c2)s1 22731095 HLHXQZHRSGUAIE-UHFFFAOYSA-O 452.408 5.194 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nc2sc(C)c(C)c2c1=O 23405157 ZBMKXUCQGJSYLM-GOEBONIOSA-N 467.616 5.365 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cccc(Cl)c2C)c1 28779345 FCTUCILTMZHQFL-UHFFFAOYSA-O 464.825 6.602 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 29201613 FEULXUYCWJNAHS-UHFFFAOYSA-N 457.559 5.220 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1-c1ccco1 29547692 FZCOFJCVEGXXEQ-OAQYLSRUSA-N 480.977 5.858 30 20 JKED N#Cc1c(CCCNC(=O)c2sc3cc(Cl)ccc3c2Cl)nn(-c2ccc(F)cc2)c1N 31118806 NSJMAQYSXOEFQP-UHFFFAOYSA-N 488.375 5.349 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 32785761 RTBDZURZGMIAIZ-HXUWFJFHSA-N 470.598 5.967 30 20 JKED N#CCCCOc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1 68731130 VTIHMYXCBCNAPC-UHFFFAOYSA-N 487.560 5.487 30 20 JKED COc1cc(-c2cc(C(=O)N(CCC#N)c3ccc(C)cc3)c3ccccc3n2)cc(OC)c1OC 115168324 DAXSPSNJCWJIHM-UHFFFAOYSA-N 481.552 5.797 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N[C@H](C)c1ccccc1Cl 255930364 GHAYZZWPEFGZTC-OAHLLOKOSA-N 477.417 5.319 30 20 JKED C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1nc(-c2ccccc2)cs1 410305260 UYSXQJKERIPCDH-MRXNPFEDSA-N 473.558 5.024 30 20 JKED C=CCn1c(SCc2noc(-c3ccc(OC)cc3)n2)nnc1-c1ccc(Br)cc1 484882875 RGRIYQVKRGGCHR-UHFFFAOYSA-N 484.379 5.245 30 20 JKED O=C(Nc1ccnn1Cc1ccc(F)cc1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 486803652 JEXOVXINIGEVRR-UHFFFAOYSA-N 491.363 5.205 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CSCc2ccc(Br)cc2)cc1 487844279 YNRUULYTBUMGAZ-UHFFFAOYSA-N 457.315 5.145 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCOc2cccc3ccccc23)c1 490427612 AWPMSKIGYVSFIT-UHFFFAOYSA-N 481.577 5.251 30 20 JKED C=CCN(C(=O)COc1c(Cl)cccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491072896 BFWZTQHBVHXIRY-UHFFFAOYSA-N 497.425 5.118 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491078412 WBUKSVVQGIZYBL-UHFFFAOYSA-N 482.558 5.446 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c3c2CCC3)c(F)c1 499574664 NTIXUFKAIHCTMZ-LJQANCHMSA-N 467.529 5.294 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)c2)cc1 501445976 FXWBVBFZIAEHIP-UHFFFAOYSA-N 463.537 5.243 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)c2)c1 501868905 GXAWZYMJCRAFRS-UHFFFAOYSA-N 475.430 5.267 30 20 JKED N#CCCn1cc(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 501924783 SSAVOFQIXPHMKV-UHFFFAOYSA-N 475.524 5.143 30 20 JKED COc1ccc(Br)c(CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 502783892 KMYGNHLNOZRFSH-UHFFFAOYSA-N 453.361 5.411 30 20 JKED CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(F)c(C(F)(F)F)c1 505254358 MGDHMWRQYIMWBQ-UHFFFAOYSA-N 450.354 5.353 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 507829867 ZWPAWJIUVSIRJT-SFHVURJKSA-N 458.518 5.125 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 509717240 UGUWBPZCUHMYOK-WRDGEJPTSA-N 454.530 5.642 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 512136885 CECWGNITJFOHJA-UHFFFAOYSA-N 473.617 6.243 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 512491123 DAPFBWHWQSSXNY-KRWDZBQOSA-N 491.592 5.251 30 20 JKED C=CCn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1-c1ccc(Cl)cc1 514572022 MHDGNYGYTZGACH-UHFFFAOYSA-N 454.899 5.035 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 514651436 JVNKMKIPTBFWFG-UHFFFAOYSA-N 471.365 5.684 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 515639024 IAYGHYGBNVPMLI-SFHVURJKSA-N 461.562 5.678 30 20 JKED Cc1c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cccc1-c1nnc2n1CCCCC2 516250626 JEUXEHDBTRLSNZ-UHFFFAOYSA-N 477.568 5.683 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCSCc1cccc2ccccc12 516265699 VMIRULGXOHDODH-UHFFFAOYSA-N 496.592 5.195 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 517461765 NYLJBMGXMWBWBN-UHFFFAOYSA-N 476.929 5.167 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1Cl 517821586 TUCACHZKXXKMER-DEOSSOPVSA-N 494.016 5.007 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 518748510 WKMZSVOZOZGRJC-QGZVFWFLSA-N 463.534 5.267 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)s1 518757374 ASWYSHRLEJYGOU-UHFFFAOYSA-N 471.538 5.481 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1 518853938 NKVFDXRKUDNRFN-UHFFFAOYSA-N 469.610 5.658 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)cc1 519052769 GAOZVBPTQNGNEZ-UHFFFAOYSA-N 454.555 6.372 30 20 JKED COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OCC(F)(F)F 520362230 DDLKOLTXMMYNRD-UHFFFAOYSA-N 472.488 6.053 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 520841930 JFUQOUMHQJBDHN-QGZVFWFLSA-N 496.375 6.477 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1ccccc1-c1ccccc1C#N 520954617 URFDTIATDGMONT-UHFFFAOYSA-N 452.485 6.204 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 521290615 JWZXYGSGFMXVFB-MRXNPFEDSA-N 467.447 5.544 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2)cs1 524386752 UHPXQQQKADYIPA-UHFFFAOYSA-N 471.607 6.447 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)c1 524426282 YAFGCNHSAIKIIT-IBGZPJMESA-N 475.976 5.566 30 20 JKED COCCN(C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 590376149 CFIXGDJZFMFIHF-GFCCVEGCSA-N 480.380 5.038 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 590618264 DTYXFWDIDKUYSY-UHFFFAOYSA-N 475.596 5.068 30 20 JKED CC[C@@H](C)Cc1c(C)sc2nc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3OC)nc(O)c12 598795130 GATLNPJJWWMQDQ-NVXWUHKLSA-N 498.674 5.730 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 603502155 LVKIUNYGSWABDF-OAQYLSRUSA-N 467.516 5.547 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603759196 XLARHJOYURCWJC-ZCYQVOJMSA-N 487.987 5.637 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)c2)c1 604182028 QUNJJDQQUWUCRI-UHFFFAOYSA-N 464.506 5.933 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1Oc1ccc(F)cc1 604506744 DCLXFWBOMMFTPP-UHFFFAOYSA-N 496.498 5.240 30 20 JKED Cc1ccccc1-c1nnc(SCc2c(C#N)c(C)nn2-c2ccccc2)n1Cc1ccco1 604540473 ISALLTQQIPGLHW-UHFFFAOYSA-N 466.570 5.553 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 609061996 QCAAUMVRKBWHTI-SFHVURJKSA-N 456.571 5.755 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(OCC(F)F)c1 609080251 VFLDDUWFXGWREJ-UHFFFAOYSA-N 451.473 5.411 30 20 JKED COc1c(C)cc(CN(C)C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1C 609089325 MSCJXXLFUVNUBV-UHFFFAOYSA-N 491.975 5.013 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cs1 609145974 LMILZIVTXKTDKQ-UHFFFAOYSA-N 460.603 5.360 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 609428257 HWVGNOHNUPMWGX-HNNXBMFYSA-N 468.376 6.283 30 20 JKED C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)nnc1-c1ccc(F)cc1 613938314 ORYFHLFZFISTEW-UHFFFAOYSA-N 483.569 5.187 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622378995 DGLVXNBMXDACEJ-UHFFFAOYSA-N 477.245 5.446 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCc2ccccc2)cn1 726116021 ABOIBWZDOXPCML-DEOSSOPVSA-N 489.645 5.113 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 726319292 FLGBKWSBXVRYLV-QGZVFWFLSA-N 492.894 5.269 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(C)C)cc1 726414392 ALEFROIFJNUNGL-HSZRJFAPSA-N 483.634 5.087 30 20 JKED C#Cc1cccc(N(C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C(C)C)c1 728247370 CIONYEWUZXKELD-GOSISDBHSA-N 487.650 6.109 30 20 JKED Cc1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c(C)n1-c1ccc(C#N)cc1 728271841 CZIUEFYETTWRBT-UHFFFAOYSA-N 472.552 5.144 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccccc1Br 728298501 VMSFPCXUOMRQJF-HNNXBMFYSA-N 468.326 5.478 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCCCC#N)C2=O)cc1 728777915 AJUBVPRZEXUXIC-XMMPIXPASA-N 488.613 5.032 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)O[C@H](c2ccccc2)c2cccc(Br)c2)cc1 729115316 SYLVKKSXRWAQJD-HSZRJFAPSA-N 498.398 5.473 30 20 JKED Cc1cc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc(C)c1OC(F)F 730585401 WHDSBDJIZRFJTQ-UHFFFAOYSA-N 473.332 5.553 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(Cl)cc1 730717469 NDMUSEGYWXALHD-SFTDATJTSA-N 492.004 5.086 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c1 731306559 ARGBAUNYXHVWLQ-UZUQRXQVSA-N 474.586 5.071 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1cccnc1 731308719 MQNJLDKEHSGGRI-HXOBKFHXSA-N 474.586 5.071 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 742495391 DAKCAGASTYRAJK-AREMUKBSSA-N 489.616 5.389 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744993224 BWHGCHQODKBLMO-HXUWFJFHSA-N 498.530 5.054 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)CCc1c(C)noc1C 745868149 YHURTBRQFHOHEF-JOCHJYFZSA-N 464.547 5.445 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 746697821 MSRPMSFLURBKHS-LJQANCHMSA-N 495.979 5.394 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)c2ccccc2)c(Cl)c1 747154711 JLMPMRWELJTDMU-MOHJPFBDSA-N 474.988 5.698 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc(-c2ccccc2Cl)s1 748003719 HXOICUKPVPXJSQ-SFHVURJKSA-N 473.941 6.217 30 20 JKED COc1ccc(-c2nc(SCc3ccc(-c4ccccc4C#N)cc3)nc(O)c2C#N)cc1 818100394 DTPCCUANRDQTIF-UHFFFAOYSA-N 450.523 5.560 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)cc1C 837299422 HWIUFCHSYYOTDN-HXOBKFHXSA-N 494.567 5.698 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837918016 YFOIPVGOWMZTPM-HXOBKFHXSA-N 476.577 5.505 30 20 JKED CC(=O)Nc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)cc1 874065245 YNKJQYXGOPGWEH-XMMPIXPASA-N 486.597 5.114 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCCC(C)C)c1 914543690 QZRQTHLXJKQORH-QFIPXVFZSA-N 469.607 5.100 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(F)c2)cc1 914773041 VZMLDBZSELBTEC-QHCPKHFHSA-N 493.560 5.003 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)c2)cc1 916025846 MKQUVJBNISOYRC-UHFFFAOYSA-N 457.477 6.039 30 20 JKED CCOc1cc(/C=C(\C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)cc(Cl)c1O 916156234 OLUMPFCYWBHYSR-UNOMPAQXSA-N 479.916 5.121 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccccn3)C2=O)cc1 916206308 PVGYUYYIQPBKIC-HSZRJFAPSA-N 492.576 5.170 30 20 JKED O=C(Nc1cccc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)c1)c1ccc(Cl)cc1Cl 916306192 OUFQPAGHIRAXJF-UHFFFAOYSA-N 488.330 6.029 30 20 JKED N#C[C@H](C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)c1ccccc1 916622601 BSDDJKIASVXSMP-SFHVURJKSA-N 463.921 5.147 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCc1ccncc1 916678793 AJGFOHAKNAINCG-ZBLYBZFDSA-N 492.579 6.207 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc(-c3ccco3)nc21 916887170 MURLCUMPTCOBOT-QGZVFWFLSA-N 495.511 5.548 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916888342 WAUBZJFCEOQILY-SFHVURJKSA-N 482.468 5.614 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 916906803 UIHRPTBYBAKXEF-NRFANRHFSA-N 473.492 5.150 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 917029497 BVJGTKQDAUGBHZ-UHFFFAOYSA-N 469.910 5.336 30 20 JKED C#CCN(Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S)[C@@H]1CCc2ccccc21 917457501 VCODDTKEVQHPFV-RUZDIDTESA-N 451.599 5.105 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 917506717 FSTCFJHLHCUULF-CQSZACIVSA-N 477.567 5.352 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3cccc(Br)c3)o2)cc1 917593684 VDKNFTQVRAIPEB-UHFFFAOYSA-N 470.308 5.047 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cc2ccccc2o1 917702862 IXQSBVTXHUYHEB-XMMPIXPASA-N 480.549 5.465 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 919981071 XCLCLASFGXKQDO-UHFFFAOYSA-N 463.419 5.511 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 920138124 AISORKPMZZFTEV-FXAWDEMLSA-N 499.514 5.062 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc(-c3ccc(OC)cc3)cs1)O[C@@H](C)C2 920144055 XAYCAOYYYLPIDY-WGTHOUEBSA-N 460.555 5.430 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(Br)c2)s1 920168263 JTNQWTLPNZVNIU-SCLBCKFNSA-N 492.464 5.180 30 20 JKED Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c2c(C(C)C)noc2n1 920898493 PWKPOFVAOOQTNY-AWEZNQCLSA-N 466.563 5.041 30 20 JKED Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1NC(=O)c1ccccc1F 921035314 QMWXGXGUUJREPJ-UHFFFAOYSA-N 465.484 6.303 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)cc1C(F)(F)F)C2 1779275519 RPGPLIXGHGAODI-SNYIIPAISA-N 498.973 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)cc2F)C1 1783056987 NRMCVOMGNIIDSB-QVJSAIJNSA-N 483.411 5.028 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786263214 LUWMYSZMKJFPMZ-QHCPKHFHSA-N 483.653 5.560 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCC2)cc1 1786366810 VWAYWLSFCGBOFF-UHFFFAOYSA-N 460.496 5.436 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4cc[nH]c34)CCC2)cc1 1786370433 AANVNYMODYEMLW-INIZCTEOSA-N 496.405 5.269 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OCC)CCC2)cc1 1786374316 PUBCLNQVTJIFAZ-KRWDZBQOSA-N 456.970 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnn4c(C)cc(C)nc34)cc2)CCC1 1788977634 RFSIWEPHIJMRBL-UHFFFAOYSA-N 459.594 5.086 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cccnc5n4)cc3)CCC2)c(Cl)c1 1789246090 LYTJJPXZPBSVKY-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1789494646 ZHOGFPDUHHJZGS-RUZDIDTESA-N 469.585 5.069 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CCC1)C(F)(F)F 1789776299 PWPVGTGRMCVVEL-UHFFFAOYSA-N 461.465 5.269 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4-c4ccccc4)CCC3)cc2)c1 1790258345 IEXNZOXFXRERMF-UHFFFAOYSA-N 472.548 5.682 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)c(Cl)c1 1790285588 LHFKKRZIYNLDJM-UHFFFAOYSA-N 473.960 5.211 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790590582 GWVICYPMBODANX-ZCTHSVRISA-N 478.552 5.208 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)CCC3)cc2)cc1 1790706485 HGDGMFCVTYDYPK-KKUQBAQOSA-N 479.605 5.388 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)CCc5ccc(F)c(F)c5)CCC4)cc3)c2c1 1790834804 XJCWEQFQSWEKJC-UHFFFAOYSA-N 499.521 5.093 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc4sccc4c3O)cc2)CCC1 1790934116 SSAFYBHZRCIRQL-JFLMPSFJSA-N 473.554 5.067 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)CCC2)cc1 1791295914 BMHFAWRXCSTUKA-YADHBBJMSA-N 454.517 5.144 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1791563739 UBSSQPNZUDAFKO-JTAQYXEDSA-N 483.653 5.416 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c(C)n1 1792126807 MGHOEIVZUVUCEA-HXUWFJFHSA-N 480.612 5.706 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)s4)CCC3)cc2)cc1C#N 1792168793 XKIAALPLAXKMEZ-UHFFFAOYSA-N 495.004 5.517 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc([N+](=O)[O-])ccc5s4)CCC3)cc2)CCC1 1792233625 WZKAYZNLBLACRN-UHFFFAOYSA-N 474.542 5.251 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)nc2)[C@H]1c1cccnc1 1802345658 VPPDJNOUBGQCAO-XUZZJYLKSA-N 462.638 5.086 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1802491080 FTDLJVHYGLLHSB-ULVUTOHESA-N 479.587 5.449 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1802494688 GODXRTSGMAFZER-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1803089184 QVINQQAGAHLPSB-SQJMNOBHSA-N 463.647 5.110 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)C4(c5cccc(Cl)c5)CC4)CC3)C2)cc1 1804758642 AYELRSGYVPTFRK-UHFFFAOYSA-N 490.047 5.107 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCCOc3ccc(C(C)=O)cc3)CC2)C1 1804859765 JZFYIRNIIRKINP-UHFFFAOYSA-N 482.665 5.272 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CC1 1810277781 UWOGTADOSFMTDV-LWMBMQORSA-N 495.784 5.601 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3c(F)cc(Cl)cc3Cl)[C@H]2c2cccnc2)c1 1811459997 OWIFFCSLGWZUEV-FDDCHVKYSA-N 497.357 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1811767480 UKLDFELYFOBPAR-SIKLNZKXSA-N 473.539 5.412 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1811889659 FYRONYOGQFIEQO-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1812368747 NYFNLZPYQRIDTI-ZJSXRUAMSA-N 482.694 5.583 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1813942064 VGLVSOFTWWBZFV-YZZKKUAISA-N 473.951 5.101 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)[nH]n1 1814441581 BQPMIJDJQLOVHU-HNNXBMFYSA-N 467.492 5.023 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)ccc2F)n[nH]1)c1cccs1 1814620916 BCYOAZSAYCFORH-GFOMBABLSA-N 486.956 5.009 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814735352 LCFKRQVVXHUNLX-CYFREDJKSA-N 487.629 5.087 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3sc(C)nc3c2)n[nH]1 1818698726 DQRSBEJJNIIPOD-NRFANRHFSA-N 463.607 5.402 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)[nH]n1 1819303440 IQMVAXVVCBCTEN-HYBUGGRVSA-N 459.594 5.203 30 20 JKED Cc1ccc(NCCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(C)c1 1819465104 YKZDOJNITCDXLZ-HFZDXXHNSA-N 498.631 5.462 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821026973 PMKZWAMZTXVHLD-NRFANRHFSA-N 489.016 5.139 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1821920547 LWOZPCMYMBAXGT-YADARESESA-N 457.578 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c(Cl)ccc(OC)c2F)n[nH]1 1822493322 PEMWCCBHDABZSK-OXQOHEQNSA-N 488.991 5.214 30 20 JKED CC(C)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)CCC1 1823065970 VQBROTJJXNWRPV-IBGZPJMESA-N 453.974 5.067 30 20 JKED Cc1cc(F)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1823319108 WLPZEZCISSCJKZ-NRFANRHFSA-N 465.916 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCN(c4ccccc4)CC3)CC2)c1 1824129371 GKWSYXNFCPCNHW-GDLZYMKVSA-N 498.671 5.017 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1824533771 KOKRBWIMKAPUAS-HSQYWUDLSA-N 451.076 5.018 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1824538620 MWEJIMLTGMSVTP-PKTZIBPZSA-N 460.684 5.052 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1824540593 ZWRCAHHTRWVBNY-QPPBQGQZSA-N 489.081 5.788 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F 1824850964 VTNFIGIFJFGMTO-IBGZPJMESA-N 494.451 5.125 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824873694 HMSWGQHDNNXFJU-SFHVURJKSA-N 496.467 5.810 30 20 JKED Cc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1826492985 PCBRIKDSRDBZNH-VWLOTQADSA-N 497.561 5.362 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(C)ccc4[nH]3)CC2)c1 1828123642 ZOGYHAUXWQALRU-HHHXNRCGSA-N 468.601 5.204 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828496341 YQEGSMJNVCAXOK-CLOONOSVSA-N 484.040 5.021 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828497785 MRZAXXGBRDYPBG-JWQCQUIFSA-N 498.067 5.003 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1)c1cccs1 1828675279 CYCWRCGWAGQCGV-LCCNJJIFSA-N 493.654 5.030 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(OC)cc2Cl)CC1 1828821296 JBULTXAQYVREOG-UKILVPOCSA-N 473.057 5.279 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906233 BANDOWGGCAYFAK-BVAGGSTKSA-N 481.757 5.158 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cnc2OCC)CC1 1829068994 CRRNRKZZBVKHPX-QFIPXVFZSA-N 476.061 5.359 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 1829975087 HVRJULISAXVCIF-QHCPKHFHSA-N 470.400 5.412 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2)CC1 1830119904 JERJZRFTYDQHTI-HSZRJFAPSA-N 473.455 5.184 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)c(Cl)c1 1830350839 SOJXMLFWBRRLNK-LJTKGQTQSA-N 454.014 5.191 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830360857 RSNAPXCDOAJGOZ-FDDCHVKYSA-N 499.677 5.102 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1831444216 LLGVPWJQDMOSLT-FQEVSTJZSA-N 450.570 5.330 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1)C(F)(F)F 1831451296 QFEQMULJDZBVSY-JOCHJYFZSA-N 489.513 5.240 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F 1831453031 JLRGXJXNLXKVEC-SFHVURJKSA-N 496.879 5.711 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Cc2cccc(Br)c2)CC1 1831715333 DVRFSDZCYZVXOQ-YKSBVNFPSA-N 487.482 5.051 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831724200 JUOYGPLTMOGUBF-MHZLTWQESA-N 479.640 5.628 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1831849908 JJMIAAGQMWJQLC-RUZDIDTESA-N 466.025 5.233 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)Cc3ccco3)CC2)c1 1832283644 GPFTZUJJTYHXFG-YPCDYVTLSA-N 461.606 5.019 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832629435 QFBRWFJEAAALSU-WENCSYSZSA-N 487.644 5.359 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4c(ccc5ncccc54)s2)C3)c1 1846828696 NQCIGTTUJWPTSY-SFHVURJKSA-N 480.593 5.207 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)c3c(C)noc3n2)c(C)s1 10279433 ASFNHXTVCRUMLF-HSZRJFAPSA-N 489.576 5.038 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2ccc(Cl)cc2)cc1 10833072 CJWHEINJXZJVPI-UHFFFAOYSA-O 499.056 5.753 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccccc2)c1 16024190 HVUISVVKHGJPDT-GOSISDBHSA-N 485.005 5.221 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)nnc1-c1ccc(Cl)cc1 18972552 DMVGSMXNTIXYOH-OAQYLSRUSA-N 499.036 5.258 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)NCCc2ccc(OC)cc2)cc1 22801534 NIOFSQGDBCJGOY-UHFFFAOYSA-O 474.071 5.421 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 28466967 QPAFATQDBJYSLP-SFHVURJKSA-N 454.979 5.212 30 20 JKED C[C@@H](Cc1nnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)o1)c1ccccc1 105388699 WDPLDZXUBKZBOT-LPHOPBHVSA-N 460.584 5.508 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)CCSCCC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 302934598 HGXWPSLGLYMMEU-UHFFFAOYSA-N 462.619 5.380 30 20 JKED C=CCn1c(-c2sc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)nc2C)n[nH]c1=S 303001876 HYAPKMSKVYITRK-ZIAGYGMSSA-N 476.425 5.063 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)s2)cc1 303052646 YIZNRRUYWGPFJC-UHFFFAOYSA-N 450.523 5.309 30 20 JKED CN(C)CCOc1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 410408449 SQBJXTFKFPRWHO-DEOSSOPVSA-N 462.981 5.258 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 481746951 VWHFAOIXGVVDHL-QHCPKHFHSA-N 483.337 5.143 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc1 483675329 XREITSDXYCLDDU-UHFFFAOYSA-N 461.974 5.422 30 20 JKED COc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 486908117 JCNXDWFEWIQOJK-HSZRJFAPSA-N 475.976 5.037 30 20 JKED Cc1sc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nc1-c1ccc(OC(F)F)cc1 498322740 KLAAVRXHFJGNNH-UHFFFAOYSA-N 491.541 5.050 30 20 JKED C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2)C1 499187241 DJHNACKUEHOBKO-CYFREDJKSA-N 487.560 5.720 30 20 JKED N#C[C@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 499590256 LKOCQKOZWZGDIJ-OAHLLOKOSA-N 451.523 5.820 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1cc2c(cc1Br)OCCO2 500739818 AEIKKWSWMSIQJC-UHFFFAOYSA-N 479.330 5.374 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1C 501531379 DSRHJDOYESPDQT-UHFFFAOYSA-N 456.571 5.358 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)CCCc3ccc4c(c3)-c3ccccc3C4)CC2)c1 501685709 DXNVRMTULPYMJO-UHFFFAOYSA-N 463.581 5.329 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)CC2)c1 501743349 CNQLJTZHVCEKFV-RUZDIDTESA-N 473.960 5.209 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 501998674 GOZBKHOYEGTLGQ-UHFFFAOYSA-N 458.946 5.079 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 502693359 HWKOSSYKLQRZKC-INIZCTEOSA-N 476.876 5.426 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1[N+](=O)[O-])c1ccccn1 507352486 KLOSCHJPLOGLGY-CQSZACIVSA-N 485.422 5.228 30 20 JKED N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)CC2)c(F)c1 508223298 GIUKVXOXLGGMBR-UHFFFAOYSA-N 471.561 5.252 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)cn2)c1 508248184 IQGNUJSWSZEECQ-UHFFFAOYSA-N 496.523 5.877 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccccc1Cl 510793887 DQTCFHBXLOPBGF-LBPRGKRZSA-N 455.877 5.121 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3c[nH]c4cc(F)ccc34)s2)c(C(F)(F)F)c1 510835102 SPAIXJOPDBQEGO-UHFFFAOYSA-N 458.440 5.426 30 20 JKED N#C[C@@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1ccc(C(F)(F)F)cn1 513191856 WVDWQTIWEWHIBV-GOSISDBHSA-N 451.379 6.052 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1ccc(C(F)(F)F)cn1 513198022 XYJRPSLEPPFSDQ-MRXNPFEDSA-N 456.811 5.690 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(CCCc2ccccc2)CC1 513876375 MOVJORSSCLGKAH-UHFFFAOYSA-N 468.601 5.831 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(O)c3ccccc3n2)cc1Cl 514515188 LYYXRIMPCVTLPE-OAQYLSRUSA-N 456.933 5.606 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC)s2)nnc1-c1ccc(Cl)cc1Cl 514518377 ZOAIVXDSIGSYEH-UHFFFAOYSA-N 483.402 5.017 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C(F)(F)F)c1 515623640 UVYKNEKOXPCUIF-GOSISDBHSA-N 475.879 5.687 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C(F)(F)F 515676757 ZIVOOCFVFZPKBD-UHFFFAOYSA-N 489.457 5.576 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)c3cnn(C(C)C)c3n2)s1 515747446 RYJNDJAUKQEVDD-XMMPIXPASA-N 484.629 5.072 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)o1 515873733 ANRPBSKYIOVSFI-UHFFFAOYSA-N 461.861 5.481 30 20 JKED CCCCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 515959735 ZCVQIHFFJKQKDJ-UHFFFAOYSA-N 474.536 5.351 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(OCc3ccccc3)CC2)cc1Cl 516046747 PJWUALVELWGHET-RUZDIDTESA-N 487.987 5.142 30 20 JKED Cc1sc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)nc1-c1ccc(Cl)cc1 516689175 DBTWQTQLZGKSBG-UHFFFAOYSA-N 480.037 5.061 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 516711151 OEOYDILMTJEBLT-SFHVURJKSA-N 496.592 5.385 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 517474037 LDDRHHJILVFJOW-FDDCHVKYSA-N 473.577 5.990 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)cc1OC 517800779 HQSQIPHFUGYYLF-GOSISDBHSA-N 486.578 5.621 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)n2)cc1 517801169 YXFVUMYYEKKHGO-IBGZPJMESA-N 483.553 5.894 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 517860061 KSIKTHYHDOCZQP-UHFFFAOYSA-N 473.598 5.679 30 20 JKED Cc1ccc2nc(COc3ccc(C(=O)Nc4ccccc4S[C@@H](C)CC#N)cc3)cn2c1 518243638 ZEZRJVVZHZMCAI-IBGZPJMESA-N 456.571 5.868 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 518669050 ZHEKCSMCZTVBKP-INIZCTEOSA-N 466.584 5.863 30 20 JKED N#C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)c1cccc(Cl)c1Cl 518709430 XFDGZUHWAMWSID-IBGZPJMESA-N 496.322 5.067 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1 518787036 DIVMBVSFNGZPFE-UHFFFAOYSA-N 478.577 5.428 30 20 JKED CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c2)c1C 519947323 PBVGLMVQDCIOCX-UHFFFAOYSA-N 496.571 5.004 30 20 JKED CN(Cc1ccccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CCCCC1 520656830 UOQAUFFFBRFBDO-UHFFFAOYSA-N 496.611 5.370 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(C)cc2C)nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 520915263 KGSIYJLQYGDQDB-IBGZPJMESA-N 458.591 5.100 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 521800495 OFTZXLVPTCDDCP-LJQANCHMSA-N 497.580 6.023 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c1 521800873 SSYIWAMKYUJEQA-IBGZPJMESA-N 479.627 5.751 30 20 JKED O=C(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)[C@H]1CCC[C@H](C(F)(F)F)C1 522062259 OSDCOEISOLGLJG-UWVGGRQHSA-N 486.409 6.320 30 20 JKED C=CCc1cc(CNC(=O)N2CCC(c3c[nH]c4ccc(OC)cc34)CC2)cc(OC)c1OC 522114823 KMNOYXCZCXTTBT-UHFFFAOYSA-N 463.578 5.011 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2cccc(Cl)c2)c1 522401831 NNDFZNAWFFCPOI-QFWMQHCXSA-N 465.981 5.435 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)cc1 523169631 FBMKZKQPDNBHDF-LEOXJPRUSA-N 480.996 5.060 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 524565152 JKNQEIJNYWJZLR-ORAYPTAESA-N 468.381 5.990 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 524711765 LAVGBJWTZAMNSL-AWEZNQCLSA-N 454.313 5.414 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)nc2sccc2c1=O 588636151 DOVGFUIUSBHEPJ-GMAHTHKFSA-N 478.639 5.212 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCC4)nc(O)c2c1C 600841207 KXNUDDDJMTUMPJ-LBPRGKRZSA-N 458.634 5.086 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 603616434 CUXAIILYYDICOW-XMMPIXPASA-N 495.373 5.013 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 603831101 BECOYHWKKDRRLQ-AREMUKBSSA-N 471.557 6.443 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604488204 WHCAEVMGFWEPJO-KBPBESRZSA-N 453.383 5.202 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)cn2)cc1 604510144 IHQXYFQKAXCQDS-RUZDIDTESA-N 498.489 5.062 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604562224 ZDZHQBKMCQOYHQ-HUUCEWRRSA-N 487.400 5.954 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 609153703 QZONGXGKBLVRPZ-UHFFFAOYSA-N 469.950 5.016 30 20 JKED CS(=O)(=O)Nc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1Cl 609164162 HWIXJVSREBZZCA-GOSISDBHSA-N 474.369 5.273 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)c2)cc1 609176513 NYXIKWJTUMZYIL-UHFFFAOYSA-N 454.555 5.815 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN(C)C1CCCCC1 609398508 YTXRDQOHPNZSBO-HXUWFJFHSA-N 450.652 6.025 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CCOCC1 609398827 UVHAGAZTXIBDDM-INIZCTEOSA-N 474.424 5.528 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 609401558 WPWVQANGDPVHJU-FQEVSTJZSA-N 455.992 5.252 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)c(C)c2)n1 609424437 JSPNVIQOFSHQSO-UHFFFAOYSA-N 480.619 5.002 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3nc(-c4ccccc4)oc3-c3ccccc3)s2)cc1 609425475 UGWJFYHBJZONHG-UHFFFAOYSA-N 495.589 6.276 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1[C@H]1COc2ccccc2O1 613395284 PFAJLKXNMUOLLR-SEPYTNNBSA-N 490.585 5.081 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2Cc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 642012263 QSNHSWPOMSOTEM-UHFFFAOYSA-N 479.009 5.069 30 20 JKED C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nc2ccccc2n1C(F)F 642679484 KAPALKPADLJCLW-HBNTYKKESA-N 472.380 5.701 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccccc1OC 644493345 FDDXHYOVIILOKJ-UHFFFAOYSA-N 488.617 5.063 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCn2c(S)nnc2-c2ccc(C)cc2)cc1 725898426 XRXKGXBIGAWJNP-UHFFFAOYSA-N 485.569 5.244 30 20 JKED Cn1c([C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)nc2ccccc21 726270150 WYYUCEXPUGJSIG-LBNVMWSVSA-N 471.564 6.140 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 726398574 KZUJECSOHLJBMI-GAJHUEQPSA-N 479.577 5.364 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 726401601 UDTZQQVIKOHKCH-HNAYVOBHSA-N 479.524 5.091 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1)c1cccs1 726418780 AZTOBLIXXFSSIX-SEGBFMEDSA-N 464.616 5.294 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S/C1=N/[C@@H](C)c1cccs1 726419523 FRLQSHCNSRGKRQ-QTTWMTAASA-N 499.580 5.193 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccs1)c1cccs1 726419729 GQUDSNJBMWJJRZ-RRZAIFFPSA-N 491.610 5.678 30 20 JKED O=C1/C(=C/c2cnc(-c3ccccc3)nc2)CN(CC2CC2)C/C1=C\c1cnc(-c2ccccc2)nc1 727266774 FMNKYLBZVDTJCU-OCHFTUDZSA-N 485.591 5.362 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 728062500 LHJWLNJEIDRQEP-MRXNPFEDSA-N 464.909 5.446 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CCCCC#N)C1=O 728776924 HARDFGVETVPXTR-OAQYLSRUSA-N 485.009 5.311 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(CCCCC#N)C1=O 728779390 ZDIHHEGYYSZLCN-QFIPXVFZSA-N 499.036 5.620 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)c1 729782001 YPTGMVMMFPQWQY-GOSISDBHSA-N 465.937 5.033 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(SC(F)(F)F)cc2)n(Cc2ccco2)c1C 729953599 KSAQBGNZWJEQSE-UHFFFAOYSA-N 477.464 5.025 30 20 JKED Cc1nc(-c2ccccc2Br)sc1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 730436840 MRGNPBMWTVRNRZ-DHZHZOJOSA-N 469.404 5.614 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O)Nc1ccc(Cl)c(Cl)c1 730713377 NRMJNSLJYNVWLZ-SFHVURJKSA-N 475.357 5.142 30 20 JKED N#CCCSc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 730981765 ATXPPJCNWXMUIP-JXAWBTAJSA-N 473.670 5.374 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)COc1ccc(Cl)c2ccccc12 731062055 GRNJJLYPPMXJPP-MRXNPFEDSA-N 468.962 5.306 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731304555 VKJSOILYUPNJIA-HSZRJFAPSA-N 487.606 5.767 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c1 731308692 MDSCKAIGNHJZRR-GAJHUEQPSA-N 477.586 5.139 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(OC(F)(F)F)cc1 731309025 PIBWSAAQIPFOMH-GOSISDBHSA-N 481.496 5.051 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744998070 ZBVKABUKAHUPJS-FQEVSTJZSA-N 499.423 5.342 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2c(F)cccc2Cl)C1=O 745581334 MCAAOFNKAICWNB-MRXNPFEDSA-N 474.772 5.054 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)c(Cl)c1 745989486 TYAJNTQYVXRKKZ-OAQYLSRUSA-N 479.005 5.512 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)s2)c(C)c1 746597027 KMZPIOGEJYBMDN-UHFFFAOYSA-N 457.555 5.643 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C 746696376 MZOXFCMOZVTDMB-QFIPXVFZSA-N 453.608 5.080 30 20 JKED COc1cc(C(=O)/C=C/c2ccccc2OCc2ccccc2)ccc1S(=O)(=O)C(F)F 747065586 BFXFFQOZQCPJRY-ACCUITESSA-N 458.482 5.167 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN(CC#N)C2CC2)c1=S 747789756 SXBBLBIDIIANDJ-JPLJXNOCSA-N 455.603 5.075 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1-c1ccccc1C(C)C 750392779 SKEOLNGEHPQPIR-JOCHJYFZSA-N 479.540 5.453 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 750685613 AMQSVBNUKAEEFR-QFIPXVFZSA-N 478.593 5.100 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Br)C3)cn2)cc1 750690096 VZVYVKLFIVCBLQ-NRFANRHFSA-N 479.334 5.113 30 20 JKED COc1cc(I)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 751083493 JLLBFBCGNZYLBB-IBGZPJMESA-N 498.320 5.216 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(CC(F)(F)F)C1=O 799212019 UPZHJRPOTJUPRC-LJQANCHMSA-N 493.551 5.615 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CC(F)(F)F)C2=O)cc1Cl 799212722 XOYPGYYJJFOCSZ-QGZVFWFLSA-N 485.915 5.180 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 799213983 CAWSPVHJWLHZNZ-OAHLLOKOSA-N 495.832 5.280 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CC(F)(F)F)C2=O)cc1 799220689 GSUVECCNHUYDNK-INIZCTEOSA-N 455.889 5.171 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3cccc(C#N)c3)c3cnn(C(C)C)c3n2)s1 828487723 JRPIWADYTJSYSZ-MRXNPFEDSA-N 473.558 5.105 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@H](C)c2cccnc2)c1 837383904 IZSKDRXHBGTZKG-WZONZLPQSA-N 493.032 6.073 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 837397777 AZIXRRREZGBXGV-GBXCKJPGSA-N 472.614 5.728 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 837397786 AZIXRRREZGBXGV-YKSBVNFPSA-N 472.614 5.728 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 837446824 NOWIBZUTKCPPJW-WZONZLPQSA-N 476.577 5.559 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cccs2)C1=O 837703575 BNHXCVQSVXBROE-FQEVSTJZSA-N 486.018 5.571 30 20 JKED C=CCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)c1nc(-c2ccccc2)cs1 895578368 JHMHBRLGSPDPGP-UHFFFAOYSA-N 490.050 5.327 30 20 JKED C[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)c1ccccc1 915102833 IOEGQCBLCMSCSZ-DYVFJYSZSA-N 458.370 5.502 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3ccccn3)C2=O)c1 916205457 JLHCHEGVTFJFMI-HSZRJFAPSA-N 493.032 5.821 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)cc1 916212992 VWOSIJRQVIYFHP-SFHVURJKSA-N 460.397 5.128 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CC3)C2=O)c1 916213627 DTLSWIVMJBSFAW-IBGZPJMESA-N 475.586 5.741 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888376 WQBPHLZLSAYKGJ-MRXNPFEDSA-N 461.490 5.534 30 20 JKED N#C[C@H](C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccc(Cl)cc2)cs1 916976420 OAFANHIUMRTRIQ-LJQANCHMSA-N 465.962 5.384 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2cc(Cl)ccc2s1 917046697 MJFFDQAQJFWKPG-PBHICJAKSA-N 478.788 5.738 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c12 917119574 MZZUKIGOHKDKJS-DEOSSOPVSA-N 463.585 6.280 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc2ccccc2c1 917700969 NWEWPWKHDGQGQR-NRFANRHFSA-N 481.499 5.452 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918543996 ALHSLPKULAXYIC-ISOPTDGDSA-N 499.662 5.114 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)n1 919419562 CWZPPVCBCQKBEB-QFIPXVFZSA-N 485.521 5.464 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(N3CCOC3=O)c2)cc1Cl 919652913 GRYDHGMPFTXQGM-QFIPXVFZSA-N 460.921 5.274 30 20 JKED Cc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1NC(=O)c1ccccc1F 919824839 RQOWVUQUSDWSNC-UHFFFAOYSA-N 465.484 6.303 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 920108511 FJCGYVIULSJRQM-UTKZUKDTSA-N 485.544 5.249 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)n1 920328213 PLKQUGXMUFUDEB-INIZCTEOSA-N 479.608 5.712 30 20 JKED COc1cc(C)cc2c1OC/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 920390500 ZAQPHHPNACHDBX-RIYZIHGNSA-N 456.470 5.082 30 20 JKED N#CCOc1ccccc1C(=O)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 920414497 UMTOJFOMLKPFFQ-OAQYLSRUSA-N 455.297 5.433 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccc(OC(C)(C)C)cc2)C1=O 920479744 ULEVYXHJTXAHNF-IBGZPJMESA-N 493.551 5.151 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2csc(CC(=O)Nc3ccccc3)n2)cc1 920490515 LBOQSEYMORDYHL-UHFFFAOYSA-N 499.617 5.845 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 920868671 LEPFYALHWKPFOB-FZKQIMNGSA-N 498.407 5.375 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 921034944 HEMPRYBRDJYXIX-IERDGZPVSA-N 471.513 5.215 30 20 JKED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4ccc(CCCC)cc4)cc3)C2)C1 1781504522 UYJGMDROALHWTB-GDLZYMKVSA-N 492.685 5.059 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)c1Cl 1786244946 XEPJHFBKAQEWAG-UHFFFAOYSA-N 471.935 5.785 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3F)CCC2)cc1 1786546601 LWVVRIQDDYRRBZ-NRFANRHFSA-N 499.558 5.182 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)CCC2)cc1 1786679550 SQLJEUYPIWDVEI-VWLOTQADSA-N 477.674 5.094 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3n[nH]c(C4CC4)c3F)cc2)CCC1 1787167152 HBKOTXHTLARMSK-UHFFFAOYSA-N 480.660 5.225 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)(F)F)c4)cc3)CCC2)c1 1787213571 FAKFUYGQPTWGTO-QGZVFWFLSA-N 492.501 5.789 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4)cc3)CCC2)c1Cl 1788461388 TVLVQLBOVXSBNF-UHFFFAOYSA-N 469.932 5.101 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3OC(C)(C)CC4)cc2)CCC1 1788496254 UZYKGLZOISFILX-LJQANCHMSA-N 462.590 5.129 30 20 JKED CCC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1)n1cccc1 1788600177 ZZBPWAFUXMPLFW-DEOSSOPVSA-N 480.572 5.025 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc(F)s3)CCC2)cc1 1788649758 ZXKUECJMTVRDME-DHZHZOJOSA-N 454.548 5.136 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)nc2ccccn12 1788935943 LGONSPKQVALYMD-UHFFFAOYSA-N 486.692 5.442 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H](C)CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789217323 VMNYCFPHGODAKP-BWKNWUBXSA-N 495.664 5.350 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1789467249 DFLUIFQTCUXOGB-OAQYLSRUSA-N 466.585 5.126 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1789492716 ISKQUUILLJHQBE-NRFANRHFSA-N 484.021 5.271 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1)c1ccccc1 1789577810 KPMINAKBRWZKAC-PLUOQXPISA-N 467.569 5.030 30 20 JKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1 1790148119 HOOSETLHILDVAR-UHFFFAOYSA-N 499.571 5.295 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)CCC2)CC1 1790672633 RDWKKEKOYTXJQB-UHFFFAOYSA-N 461.871 5.410 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)c(O)c(Cl)c4)cc3)CCC2)c1 1790776995 DZYCCMHXDARZAC-MRXNPFEDSA-N 489.959 5.440 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C)cc(C#N)c4)cc3)CCC2)cc(C)n1 1790795109 XROYOJULUBWCDJ-UHFFFAOYSA-N 452.558 5.194 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5c(Cl)cccc45)cc3)CCC2)c1 1790959019 DXDWOYFAXOKCFT-UHFFFAOYSA-N 457.921 5.083 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791593422 QMWNQSYKBRQYEN-NRFANRHFSA-N 481.637 5.124 30 20 JKED CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1ccc(C2(NC(=O)C(C)(C)C#N)CCC2)cc1 1792206685 OGLOEYFUKVSMEJ-UHFFFAOYSA-N 484.641 5.145 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792207934 LDBGJAVECNRSGG-WTIAFYNJSA-N 481.637 5.265 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)c1 1797779249 NRTILOOCGJURKF-ORXSNDROSA-N 461.993 5.023 30 20 JKED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800812525 OTSXPTMXVNQIJY-KOUNCHBCSA-N 453.542 5.188 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1802493119 UVCYLPUBVBOJSH-OZXSUGGESA-N 486.616 5.357 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1802496455 IWTIOXPQPZZUIU-DVECYGJZSA-N 479.024 5.528 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1802738127 HWRXWBGLYNBEKD-NZQKXSOJSA-N 487.522 5.068 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1803081729 FUUPEAKERQZKAV-LITSAYRRSA-N 494.639 5.540 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1803419466 BIKWNYDPBMSBIA-NBUHOVDFSA-N 463.647 5.037 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1803603086 GUDFPZFFBUKLJK-RCXJIHSJSA-N 489.641 5.148 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)C3)c1 1803684215 GZXDEGCDCVNBPB-GAZPGATBSA-N 489.925 5.551 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(Cc5ccc(F)cc5)cc4)CC3)C2)C1 1804786995 CVHBVFQBFRCKBL-UHFFFAOYSA-N 460.593 5.228 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1)c1ccccc1 1805622943 DGJKYVPGXUUBBC-RUZDIDTESA-N 478.036 5.496 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C1 1806014366 INGCBKUCDISHFU-UHFFFAOYSA-N 476.617 5.307 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1809276150 CLIJXBYSZZXSTJ-ATIYNZHBSA-N 470.617 5.250 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1811303513 JAMSGCHUJJVWLZ-FNZWTVRRSA-N 470.598 5.187 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c1 1811752656 RNQUEBSQXMSRAS-NTKDMRAZSA-N 493.394 5.202 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1ccccc1 1811818292 INCKHZNAJSYWEF-STXQHDJLSA-N 486.015 5.252 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)[nH]n1 1814441827 GSKFCQVVVLPBIO-GBXCKJPGSA-N 477.653 5.459 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1814742924 CQIKMZHCGBTLGH-OAQYLSRUSA-N 489.988 5.030 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)[nH]n1 1814827585 ZHIZPMILQIAYPB-RUZDIDTESA-N 499.615 5.555 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(Cl)cc3)n[nH]2)c1 1816934694 FYTWDHINAODBBI-SBUREZEXSA-N 475.980 5.239 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3s2)n[nH]1 1819075868 YUCYJNYSCHJXPU-XHDPSFHLSA-N 493.452 5.011 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)[nH]n1)c1c2ccccc2n2ccsc12 1820099297 CBXJJEHWUAHUIY-QHCPKHFHSA-N 493.592 5.235 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2)n[nH]1 1820527556 RZJILVCWLFEFFB-UYAOXDASSA-N 460.500 5.503 30 20 JKED CC(C)=CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1820809251 XIDDLTSGTZPOPS-QFIPXVFZSA-N 463.582 5.121 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1821145867 HHLCETOMKBWYHU-RUZDIDTESA-N 499.615 5.397 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)n[nH]1 1821226160 XEMJIDGMGSMUQB-NBGIEHNGSA-N 487.604 5.492 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1821983867 CPMMQLUBMWNJFG-KRWDZBQOSA-N 488.432 5.014 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1822393384 TYRNMUKTGNGHLF-WMZHIEFXSA-N 492.023 5.460 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)[nH]n2)c1 1823216255 RNFXLXAEOLIWNN-MNAZTIHHSA-N 493.611 5.465 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]n2)c1 1823217907 NJEAVZVATGCPFE-ZHRRBRCNSA-N 461.953 5.310 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n[nH]1 1823301778 WRQNEIBFZPFJTM-IBGZPJMESA-N 464.463 5.067 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)C1 1823703172 QUYLMDUINIOOLG-HSZRJFAPSA-N 475.460 5.611 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1824240273 FSGCOOMBWYDKTC-XHYPSFNUSA-N 492.685 5.547 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nscc23)CC1)c1cccs1 1827683866 MFBGTBLRWIOSKJ-DGSRBQDKSA-N 493.654 5.030 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)CC2)C1 1828166048 FKBVFEBXEKCHOK-HXUWFJFHSA-N 457.039 5.754 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828510233 RMWCKDYFIZHSHX-HXOBKFHXSA-N 475.555 5.632 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1828826238 AFGTYGIBYORXFA-AHWVRZQESA-N 481.656 5.428 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSC3CCCC3)CC2)c1Cl 1829685626 KXBRXBKXNQTKLW-QFIPXVFZSA-N 474.070 5.121 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cn1 1829686160 WTXFGFFYYJHXMM-QHCPKHFHSA-N 493.051 5.451 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c1 1830028546 GSGHTULQIDWVNW-KBMIEXCESA-N 464.009 5.514 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1830418326 UGJCANPPYVYEDO-SIKLNZKXSA-N 469.651 5.244 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1830422255 UBECNCNPKZCUHS-XMSQKQJNSA-N 481.559 5.048 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)cc3)CC2)cc(C(F)(F)F)c1 1830755700 LHNGXXSETOHMAF-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1830792508 GERGCOGXRBXNSH-QHCPKHFHSA-N 475.624 5.257 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830802553 GVUCQDAEVMVCOT-DNQXCXABSA-N 492.582 5.716 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 1831367324 HUEIITWDNQWBGW-IERDGZPVSA-N 465.407 5.034 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2OC(F)F)CC1 1832674883 UCOBJRWZLPEYCP-UNMCSNQZSA-N 460.565 5.290 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)c1 1832800761 XVMRPAPZHDOCNO-PMVMPFDFSA-N 475.555 5.160 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1832828232 VAJCKMVUXVCIBF-FQEVSTJZSA-N 454.920 5.006 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)CC1 1836696333 FDNREDDMXGNMKP-UHFFFAOYSA-N 487.644 5.129 30 20 JKED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cc4cccc(F)c4s3)C2)cc(C(F)(F)F)c1 1843702826 RLGHLGBSSLBAMX-UHFFFAOYSA-N 487.478 5.062 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2Cl)cc1 8752772 GUEJARVUDGPIMF-QGZVFWFLSA-N 496.036 5.420 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1ccc(OC(F)F)cc1 10172899 CSTZNXZKYZOYOS-UHFFFAOYSA-O 461.579 5.867 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)nnc12 10656058 FMPFZKLYBMPADE-CYBMUJFWSA-N 498.490 5.152 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(C)c(C)c2)cc1 11162073 VDKXVLPMRWSEFB-UHFFFAOYSA-O 462.683 6.501 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3c4ccccc4Oc4ccccc43)s2)cc1 14621468 PYUXUNKNYOOJAQ-UHFFFAOYSA-N 456.552 5.578 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4nnnn4C4CC4)c3C#N)C(C)(C)C2)o1 16374962 JICVJVFWIVSZFP-WEVVVXLNSA-N 492.630 5.352 30 20 JKED C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16774158 FONYBSLRTVAFMI-MRXNPFEDSA-N 474.977 5.033 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2sc3c(c2c1=O)CCCCC3 17656374 MAJQFKLTHQHKPB-CYBMUJFWSA-N 470.645 5.878 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1 17757727 SZUSWPZINUWXCH-UHFFFAOYSA-N 465.991 5.175 30 20 JKED C=CCN(C(=O)Cn1cnc2ccccc2c1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18085187 XRNQCNLKVWDYLL-UHFFFAOYSA-N 471.369 5.046 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1OC 21729498 LRKNUTBTJLXYCW-CYBMUJFWSA-N 463.390 5.566 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 22664224 GEDZGFAIYCJRGK-OAQYLSRUSA-N 454.526 5.027 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 26582666 FRDMETMDGXDPDN-IBGZPJMESA-N 475.570 5.109 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nnc1-c1ccccc1OC 29831717 QYAWORFNZGHZOT-UHFFFAOYSA-N 480.615 5.573 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(C#N)cc1 33179058 KIIMRUFWSLBBBG-VZQOBPCUSA-N 473.642 5.226 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 107830845 RWOUTHOFOVIYNB-UHFFFAOYSA-N 494.336 5.578 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 116504619 FQLQJVOSSNOQOF-FQEVSTJZSA-N 452.489 5.434 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1OC 209439062 DXOJSNOCVAGXEZ-LFIBNONCSA-N 462.358 5.754 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F 303005591 LQIDWPLGFWJDKF-UHFFFAOYSA-N 456.546 5.414 30 20 JKED C=CCn1c(SCc2nc(CCOC)no2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 303161521 FGTUOJXYBIDNAT-INIZCTEOSA-N 473.668 5.208 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 484288169 GVWWWNAXSCLGDP-UHFFFAOYSA-N 466.541 5.673 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 498307897 CCHXQKNUHRSYNI-UHFFFAOYSA-N 454.935 5.462 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)cc2)cc1 501157251 BFHNMOCYAMWLDK-HSZRJFAPSA-N 478.346 5.718 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 502602797 LCYCQQYFBPFROK-UHFFFAOYSA-N 458.331 6.080 30 20 JKED C[C@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(C#N)cc1 505364092 LFOSRRYCTHUIQV-IBGZPJMESA-N 469.976 5.967 30 20 JKED Cc1nc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)sc1SCC#N 508981560 PEPFKMQUTSBUDW-NNWRFLSQSA-N 490.654 5.632 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CSc1nc(C)c(C)c(C)c1C#N 510708783 DDYBTIXWZRXKCR-UHFFFAOYSA-N 458.562 5.523 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)n1 512970803 WCGSRRNHLXPNFK-IBGZPJMESA-N 450.585 5.719 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c2cnn(C(C)C)c2n1 513187215 WHNAHGULTXLHIW-IBGZPJMESA-N 463.463 5.892 30 20 JKED N#CCc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 514431292 KGBXSWTZKBBOBP-FQEVSTJZSA-N 471.504 5.721 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 515321900 KBIGZDBRWRMNHI-JOCHJYFZSA-N 452.539 5.182 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)c2)cc1 517292931 DFBJMBMFFJPGCS-QHCPKHFHSA-N 481.474 5.080 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cn1 518169995 WIYDRUINCLNCPI-QGZVFWFLSA-N 478.574 5.465 30 20 JKED N#C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccc(Cl)c1Cl 518709189 LIJLOMWZIKBMDT-IBGZPJMESA-N 494.787 5.442 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1 520197953 VFEGTJBSADMIHN-FUHWJXTLSA-N 450.633 6.704 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 520427777 YZYAZGYZYZRQIN-GFCCVEGCSA-N 459.543 5.933 30 20 JKED Cc1cc(N2CCC(C(=O)Nc3ccccc3Br)CC2)n2c(nc3ccccc32)c1C#N 523830171 KAZYMXKBOMZLMG-UHFFFAOYSA-N 488.389 5.285 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)c1 524063279 KTZODQGYDRMSOD-UHFFFAOYSA-N 469.950 5.076 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 524422413 NZBWLAZCNDCXQO-UHFFFAOYSA-N 484.581 5.371 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cc1 524489376 MEMGDKYEIUNGHD-UHFFFAOYSA-N 478.986 6.046 30 20 JKED N#C[C@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 591862699 ZBYOECNOVSYZNR-GFCCVEGCSA-N 465.378 6.372 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3cccc(C#Cc4cccs4)c3)nc(O)c2c1C 599807927 XLKFIQMHGFSLEF-INIZCTEOSA-N 479.652 5.735 30 20 JKED CCOC(=O)c1sc(NC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c(C#N)c1C 603444598 LEFJJSYEITWTEI-UHFFFAOYSA-N 469.566 5.810 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 603738830 VMYXSNOQZVUWER-UHFFFAOYSA-N 486.535 5.613 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)cn2)cc1 603764039 BGQWGODRFGFIEY-OAQYLSRUSA-N 481.339 5.296 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604138724 FWZWWJSDCZPVNM-VWLOTQADSA-N 456.546 5.150 30 20 JKED CC(C)C[C@H](C#N)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 608962399 HSJOZSIHBAVGJP-CQSZACIVSA-N 458.406 5.067 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609054665 GJRGBJRIXOEHCD-UHFFFAOYSA-N 476.920 5.085 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1cccc2ccccc12)C1CCCC1 609063847 WOXYHWNZHSNHDN-UHFFFAOYSA-N 451.574 5.275 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)cc2)c1 609065122 YGTCZYQZANHWNS-UHFFFAOYSA-N 489.984 6.007 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 609078542 XOFIDZRKKLNENC-QGZVFWFLSA-N 451.473 5.930 30 20 JKED N#C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccc(OCc2ccccc2)cc1 609174103 GYZVLFZTBUYUOH-HXUWFJFHSA-N 480.014 6.028 30 20 JKED Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 609199639 SDNUHACYRYAXKE-UHFFFAOYSA-N 457.578 5.425 30 20 JKED COc1ccc(CCC(=O)N2CCCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 609209717 JFQWFYCAINEHJH-UHFFFAOYSA-N 498.583 5.058 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612478150 MZVGIAWTMYKFKF-FOLVSLTJSA-N 479.396 5.722 30 20 JKED COc1ccc(CN(C)C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC(F)F 612805638 KWWHDHVJVRSVLN-ITGUQSILSA-N 478.380 5.348 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)c1 613315637 VRTMJGPCVAGSRB-DEOSSOPVSA-N 497.576 5.635 30 20 JKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2cnn(C(C)C)c2n1 613319095 NKIPVVXPWADVKZ-GOSISDBHSA-N 463.994 6.403 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(OC)c(OC)cc1Br 620675538 SLVNBCOKWWAFAA-UHFFFAOYSA-N 494.386 5.254 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 642709384 UTJWUWDZBUYYGX-AWEZNQCLSA-N 456.395 5.025 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1[C@@H]1COc2ccccc2O1 644969236 LVXKCNIXMHYFGJ-YOEHRIQHSA-N 480.619 5.034 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC)c(F)c1 726412496 RUWWFYTXMHRNHT-HXUWFJFHSA-N 461.534 5.124 30 20 JKED N#CCC[C@@H](C#N)CSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 726770898 MEJYCARTOAYYGY-VUQQOUJSSA-N 473.360 6.053 30 20 JKED CC(=O)NCCCc1ccc(C2=NN/C(=N/[C@H](C)c3ccc(Cl)cc3Cl)SC2)cc1 727172210 JQSMHNCYHXETFH-CQSZACIVSA-N 463.434 5.220 30 20 JKED COc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OC(C)C 728393858 XOLWMQWMUNCBSW-UHFFFAOYSA-N 463.509 5.394 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCCC3)C2=O)cc1 728423152 PKHBQQFNQFQQFE-FQEVSTJZSA-N 484.528 5.063 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@H](c2ccccc2)C2CCC2)C1=O 729141902 DODJAMDMENGKFF-TZIWHRDSSA-N 475.536 5.314 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 729634788 UDJDUIVBRFDDOW-OAQYLSRUSA-N 482.968 5.343 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(C3CCC3)C2=O)c1 730461721 HAYJSAODYAUKKE-QHCPKHFHSA-N 481.618 5.340 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(C)C)cc1 730713125 QKWMMVPGRQTSSU-LJQANCHMSA-N 479.631 5.130 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cocn3)C2=O)c1 730720707 UBBHEWKCAIWAAW-HXUWFJFHSA-N 468.966 5.105 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N([C@@H](C)c2cccnc2)C1=O 730942613 SQUVLSWEVDJILG-FDDCHVKYSA-N 474.586 5.120 30 20 JKED Cc1nc(-c2cccs2)ccc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731067613 BGORPTUMYCFFSC-HNNXBMFYSA-N 451.573 5.166 30 20 JKED COC(=O)COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 745020773 PHSSAOXUNBABLU-LFYBBSHMSA-N 484.335 5.694 30 20 JKED C=CCn1c(SCC(=O)N(CC)CCc2ccccn2)nnc1-c1ccc(Cl)cc1Cl 746832110 GNJJDNNLGXSPIE-UHFFFAOYSA-N 476.433 5.016 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCc3nccs3)C2=O)c1 747601961 XEMUHGDNWVJLOQ-FQEVSTJZSA-N 499.061 5.616 30 20 JKED N#C[C@H](C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1nc(-c2ccccc2)cs1 807688673 MIAVWBFYTDRYAV-HXUWFJFHSA-N 498.589 5.130 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1[C@@H](C)c1ccccn1 837299013 BCDFQDLQOMLHLI-JTSKRJEESA-N 489.557 5.020 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1F 838584661 HZKMJVNMVQJNPT-IBGZPJMESA-N 493.507 5.465 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O)NCc1ccccc1 914538970 ZQRCIKFNMDKVCY-VWLOTQADSA-N 480.593 5.073 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 914691449 OFQWCVFHEZBWPT-BTYIYWSLSA-N 469.513 5.149 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2nc3ccccc3c3ccccc23)CC1 914955744 AYIQWHYVSVDOAO-UHFFFAOYSA-N 478.508 5.467 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1Cl 916057578 UIGIIQUADUDFMD-JXFKEZNVSA-N 492.894 5.034 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 916136999 FLNWZKOQQOLUQA-WQLSENKSSA-N 480.904 5.561 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O 916212235 UMXZRRUWLHMGAL-HXUWFJFHSA-N 469.950 5.102 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)cc(Cl)c1O 916320927 OMCPXYOKOJILAF-UHFFFAOYSA-N 460.987 5.083 30 20 JKED CCCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916628305 QTCCCTFWOJXZLC-FQEVSTJZSA-N 452.963 6.092 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1 916894630 RVARZJJFSSFVKR-NRFANRHFSA-N 454.404 5.467 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916929485 MIOZVNGNDNUDTR-KRWDZBQOSA-N 465.849 5.010 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916932453 VWEAAACUFJTABH-FQEVSTJZSA-N 464.308 5.405 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1 916951743 BBUKAQVLDLHBTP-HXUWFJFHSA-N 473.579 5.558 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995626 AERZINWACNDEHH-OAHLLOKOSA-N 465.308 6.234 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917030670 JWYFYWSMFDXHDI-FCCHGPORSA-N 486.641 5.845 30 20 JKED C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 917568574 XQSDYAXQYIMTEF-LJQANCHMSA-N 465.509 5.474 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c1 917668600 CXZDVCOKMFCOGQ-SONWIMMPSA-N 490.673 5.199 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccc(C#N)cc2)c1 917669075 NDMCSKNQSYAJJL-QHCPKHFHSA-N 490.535 5.305 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cccc(C)n2)C1=O 917671219 PVJQUWUXZPVBHY-XMMPIXPASA-N 488.613 5.176 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(Cc2ccsc2)C1=O 917674281 PVEUXQANRPJGEM-QFIPXVFZSA-N 479.627 5.534 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccnc(C)n2)c(Cl)c1 917690777 PPIXGYHTHJYEAS-NRFANRHFSA-N 494.020 5.216 30 20 JKED N#Cc1ccc(CNC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 919903858 ILMCBBRYYQZBCM-UHFFFAOYSA-N 453.424 5.543 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H]1CCc2cc(F)ccc21 920170359 YQNATXNVENGGLL-ZEQRLZLVSA-N 484.556 5.345 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cc(C)on3)C2=O)cc1 920354272 BSAKYSIHDMBMAL-NRFANRHFSA-N 498.992 5.196 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)cc1 920354521 DKDIBHWGDFBNRY-OAQYLSRUSA-N 484.528 5.039 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc(C)on2)C1=O 920357189 WEPSIISRFPJVEG-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cc(C)on3)C2=O)c1 920359752 QYNQKIKSIBPIPU-DEOSSOPVSA-N 490.629 5.884 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 921131315 IRPLNOIKDLXZDS-HNNXBMFYSA-N 451.960 5.948 30 20 JKED CCCN(Cc1ccccc1)Cc1ccc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1 1130537323 OYOGPBANVUWLCB-UHFFFAOYSA-N 456.590 5.259 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(F)cc(Cl)cc2Cl)C1 1781037481 YKIPQQJBULRCDR-WPSZSDGUSA-N 483.411 5.028 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1O 1785983838 GSIRGGJOQGVYHG-LJQANCHMSA-N 483.568 5.018 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)Cc3cnc4ccccn34)cc2)CCC1 1786108499 SSDIWYIWUAQKEO-UHFFFAOYSA-N 486.692 5.062 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1786372502 XIMXJUKTVJQPEX-SFHVURJKSA-N 461.587 5.149 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)COc3c(Cl)cc(Cl)cc3Cl)CCC2)cc1 1787885254 IPNDDENYJBXIAQ-UHFFFAOYSA-N 480.779 5.463 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCC(=O)c3ccc(OC)cc3)CCC2)cc1 1789451434 ITYIERYBRIVDMS-RUZDIDTESA-N 474.601 5.561 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4csc(-c5cccnc5)n4)CCC3)cc2)c1 1790256168 SPZQAJBWNXTRMS-UHFFFAOYSA-N 479.565 5.138 30 20 JKED CC(C)(C)OC(=O)C(C)(C)CC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790258435 RWUHKSGKHYMYAC-UHFFFAOYSA-N 475.589 5.064 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC1 1790296211 WWNYPLMMWFLTTD-QFIPXVFZSA-N 496.007 5.004 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCC2)cc1 1790511050 KAQGPVJQROBWFA-UHFFFAOYSA-N 492.469 5.102 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CSc3ccc(F)cc3F)CCC2)cc1 1791726249 KTIDFYWIDUOOTL-UHFFFAOYSA-N 456.558 5.385 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)CCC2)cc1 1791729058 PPTGMGCGKATAKR-UHFFFAOYSA-N 479.584 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4OCC5)CCC3)cc2)c1 1792123822 RAEVTNYRRMZIJE-IBGZPJMESA-N 465.553 5.310 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)cnc4Cl)CCC3)cc2)c1 1792125412 ZALPCMVRHPBGQD-MRXNPFEDSA-N 476.939 5.563 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(Cl)cc2)no1 1796486814 BBHQZVTUMFVBFA-ACDBMABISA-N 455.986 5.239 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)[C@H]2c2cccnc2)C1 1802416909 KNBXHKFVAVCVJI-NLFFAJNJSA-N 490.003 5.183 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC4(CCN(C(=O)c5cccc(C#N)c5Cl)CC4)C3)c2c1 1806885557 QAPLJAGKXNJVHO-UHFFFAOYSA-N 489.019 5.089 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)C2)ccn1 1807445649 ONRYFEQVAULPPS-UHFFFAOYSA-N 479.024 5.063 30 20 JKED CC#C[C@H](CC(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1)c1ccc(O)cc1 1808536495 LFYCOXPJEJNOQM-LBIBWWDDSA-N 499.655 5.127 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)C1 1809513565 PGCRVRNIAZNTPU-UHFFFAOYSA-N 456.030 5.077 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC3(CCCN(C(=O)c4cc5c(Cl)cncc5s4)C3)CC2)c1 1810254966 UREHIVHPZCFAIP-UHFFFAOYSA-N 496.995 5.119 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC=C(C)C)[C@@H]1c1cccnc1)c1ccccc1 1810444467 PWSKSYBTHMHTKW-FULLSBAXSA-N 457.618 5.031 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(F)c2)[C@H]1c1cccnc1)c1ccccc1 1810800156 CKZMHCNGSBVDND-SAAIGDAKSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1811230984 NULKUFKZAKHPCY-NOZRDPDXSA-N 477.649 5.571 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c(Cl)c1 1811734985 VCQALXXKIIXAPB-GAJHUEQPSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n[nH]1 1814714706 GRNALQDGWSEYGL-FUPPJEDESA-N 450.558 5.113 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)c1 1814739820 HYCMULYJUOKPOR-OAQYLSRUSA-N 497.933 5.152 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)[nH]n1 1814825516 ZOWKICYDFGFCHG-SFHVURJKSA-N 462.381 5.186 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@H]3OCCc4ccccc43)n[nH]2)c1 1815134968 ZMESNRZZIYSEKF-WGURPXDASA-N 497.599 5.047 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCOc3ccc(Cl)cc3)n[nH]2)cc1 1815684517 PWOKPJRUGAOVMM-QHCPKHFHSA-N 491.979 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)n[nH]1 1816223701 MPHBDDZTFUSIHI-XXBNENTESA-N 494.546 5.152 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccccc4o3)n[nH]2)c(Cl)c1 1818632160 RENZSTXGIPZQGQ-FQEVSTJZSA-N 473.920 5.301 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)[nH]n1 1819305436 JBEKXSVMRKYRDK-YKSBVNFPSA-N 473.577 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)[nH]n1 1819305641 MITMSCSBGJFMFY-QAPCUYQASA-N 464.488 5.404 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)[nH]n1 1819306010 UUDVKNGPBZPYNZ-IRLDBZIGSA-N 473.577 5.447 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)[nH]n1 1819308985 JQXQJAJWNSSBFZ-BEFAXECRSA-N 466.973 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2Cl)N(C)C)[nH]n1 1819309925 LDOFIQRLGAATED-RVSNTGDXSA-N 484.044 5.127 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1 1819384801 YRHSVFAECHTQJU-ZJSXRUAMSA-N 468.649 5.164 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)nc3)n[nH]2)cc1 1820037087 WHPFHFBMMBNGAY-SANMLTNESA-N 490.567 5.157 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)c1 1820547304 IEFQWLPNQVNUOB-AREMUKBSSA-N 490.567 5.272 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]2)C1 1820964612 QULYHTCXPIXJAU-NRFANRHFSA-N 472.630 5.050 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)ccc1F 1821118683 HGPYIGDPJUJHGV-HXUWFJFHSA-N 465.916 5.002 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821429467 WTCGIUHYAOVWCO-VFNWGFHPSA-N 451.958 5.129 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc5occ(Cl)c5c4)sc3C2)c1 1821437665 GXZJWAJUDXEEHR-AWEZNQCLSA-N 494.935 5.093 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1821921406 UKBAZJQJAYPRSW-XXBNENTESA-N 457.578 5.298 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)[nH]n1 1821988148 NEXUTWTVBVSZHS-FPOVZHCZSA-N 462.516 5.192 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1)C(F)(F)F 1821991954 NKTXSPFIZOBPLU-INIZCTEOSA-N 491.436 5.235 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823210248 ALLIZVQIHWUNPL-QMHKHESXSA-N 459.525 5.104 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccc(F)cc3)CC2)C1 1823702284 YRANKXGSIXJHNG-RUZDIDTESA-N 461.581 5.087 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823978167 WDVUSBGLYSNQLC-KBMIEXCESA-N 464.009 5.249 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1824051878 TYWMOIRVWCSCEH-VSOVPVGVSA-N 491.582 5.102 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824209015 OJGGXGXXKAYEGM-QFIPXVFZSA-N 491.717 5.292 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3F)CC2)cc1C#N 1824729831 SYLKTWUOOBYOEM-JOCHJYFZSA-N 483.609 5.093 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1824826029 YUEUVUXRSULSDV-PFVHZJSWSA-N 491.582 5.539 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)c(Cl)c1 1825002552 RKSDEFDDJRCINI-AREMUKBSSA-N 494.035 5.005 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c1Cl 1825036104 NDMWDTQGJMNQFA-HXUWFJFHSA-N 490.456 5.403 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)s2)CC1)c1ccc(O)cc1 1825352116 QRXIVPHFKYNRHZ-GGAORHGYSA-N 482.621 5.023 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330888 GJOVRWFSJQJBGA-MUUNZHRXSA-N 471.645 5.484 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827343834 CEVPXICUYUMBTC-QHCPKHFHSA-N 467.997 5.032 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1827507452 XFEZSVBUPLMSKP-RUZDIDTESA-N 481.040 5.285 30 20 JKED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683572 DPTODTUIUSFZPQ-PVAWZGFLSA-N 496.648 5.125 30 20 JKED CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)CCCCC1 1827684577 ISWKGVHTERMYMQ-RQWLHQTBSA-N 456.652 5.077 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828217252 OCCXHXBWPMOHGN-LADGPHEKSA-N 464.606 5.449 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828334598 NAOUUZIDIZLEML-JOCHJYFZSA-N 483.754 5.514 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1828351886 IAJBPJSPRAHTSR-JWQCQUIFSA-N 456.747 5.404 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828354826 MGFDXLCLQPWNMT-LASATKFFSA-N 460.618 5.834 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(F)c(F)c2)CC1 1828822764 ALOFBNYPASIVRN-RCZVLFRGSA-N 458.593 5.286 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1828826992 PWQXILWKLCKIFH-URXFXBBRSA-N 469.025 6.088 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828908195 NOWBWTLOVJWJOO-ISKFKSNPSA-N 499.797 5.233 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)F)no2)CC1)c1ccccc1 1829032861 OCMHOICWAYWQRV-FYYLOGMGSA-N 483.559 5.043 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)cc1C#N 1829973683 KPQKYVHQCIKJMP-RUZDIDTESA-N 494.035 5.546 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830409833 UIESNTJRLXUNAU-VGOCBJJDSA-N 475.633 5.003 30 20 JKED COC1(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CCC1 1830604856 RKLWSBNLXHSSFL-GDLZYMKVSA-N 498.667 5.279 30 20 JKED CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830630163 KEXYHHBFVICLFF-SVBPBHIXSA-N 457.618 5.180 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2onc3ccccc23)CC1)c1ccccc1 1830924587 RBQPQXZQWZFBNE-RPLLCQBOSA-N 483.612 5.258 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832167688 JCGCSGKVXUWAJS-UPVQGACJSA-N 499.797 5.233 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2s1 1832633482 IEONJLOWTWDCRL-AVRWGWEMSA-N 488.657 5.712 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(F)(F)F)ccn3)CC2)c1 1832634081 RONNSYLPUPSEBZ-HOYKHHGWSA-N 498.549 5.275 30 20 JKED COc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1832635792 SEJSHNCJTZYLKZ-IBVKSMDESA-N 473.617 5.178 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)cc1C#N 1832704754 SGZZHMPLNHIBRC-AREMUKBSSA-N 499.611 5.639 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2SCc2ccccc2)CC1 1832827045 MLMMFPSAWKXMTQ-VWLOTQADSA-N 475.658 5.021 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)CC1 1836881652 HUIGZGBVCKHTSS-JOCHJYFZSA-N 495.110 5.121 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)CC1 1837014850 UTWSXFCWMNKBNS-XPJNUEMQSA-N 484.603 5.122 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CC1 1838537980 UTEKPYCHKWYJJK-UHFFFAOYSA-N 490.619 5.299 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1845982849 XNQVUGMBLRXPLN-SFHVURJKSA-N 472.507 5.527 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2scc(-c3ccc(C)cc3)c2c1=O 8649368 BMPOZOYHCTXXIX-UHFFFAOYSA-N 477.611 5.359 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 9073329 HYOCBBCPNJIDFT-UHFFFAOYSA-N 496.592 5.449 30 20 JKED N#CCCN(C(=O)COC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccccc1 9556040 NHKNESAURGZULF-UHFFFAOYSA-N 471.538 5.224 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2cccc(C)c2C)cc1 10167803 FKCHHQUDJPVMHI-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc(CC)cc2)cc1 10173810 OJSSVXHOLCDMSD-UHFFFAOYSA-O 464.611 5.134 30 20 JKED O=C(/C(=C(\S)Nc1ccc2c(c1)OCCO2)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 10179898 IMXCXKXDTSEHEY-UHFFFAOYSA-O 485.629 5.164 30 20 JKED Cn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nnc1-c1cccs1 10302814 WIHCJHYVDQQIEG-CYBMUJFWSA-N 471.677 5.359 30 20 JKED Cc1oc(NC(=O)COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)c(C#N)c1C 11122093 DWLSTANTJGHOLH-UHFFFAOYSA-N 451.548 5.053 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1cccc(OC)c1 11259205 ATKLFOGKUKWEBE-UHFFFAOYSA-O 460.406 5.903 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)n2C)cc1 13877245 BIJNFSAKIKAFSC-UHFFFAOYSA-N 494.690 5.261 30 20 JKED C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 14497855 LRTFUWTVGGLLHG-ROUUACIJSA-N 474.586 5.102 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 21644729 XXQZZEYDCOJOKI-FQEVSTJZSA-N 471.586 5.322 30 20 JKED C[C@H](c1nnc(SCC(=O)Nc2ccccc2SCC#N)n1-c1ccccc1)N1CCCCC1 21726235 ZWGFHMNPCKEZCX-LJQANCHMSA-N 492.674 5.161 30 20 JKED CCOc1cc(/C=C(/C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)ccc1O 22218598 YERRIBZCCZQAJU-CIAFOILYSA-N 476.916 5.038 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc3c(c2)CCCC3)c1C 28695993 UALSMLFTNRFDNL-UHFFFAOYSA-O 494.612 5.165 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2cccc(C)c2)c1C 28793492 NYDMDVVZDLXZBJ-UHFFFAOYSA-O 464.611 5.072 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 28811018 IYAWNANHWHKXHG-UHFFFAOYSA-O 476.622 6.102 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)cs1 32290189 JSRVOJCVPVIKKA-UHFFFAOYSA-N 471.607 6.447 30 20 JKED O=S(=O)(/N=C(\O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 95556216 QHOXFUFHJOXIPS-UHFFFAOYSA-N 451.935 5.081 30 20 JKED C=CCNC(=O)CSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1 206777960 MJWJLGDRNDADAL-UNOMPAQXSA-N 460.386 5.081 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2sccc2[C@@H]1CC 217155415 QWSLVGWAMVMPOZ-IBGZPJMESA-N 489.066 5.386 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c(C)c1 254943839 WOYZNICTPMPITQ-QFIPXVFZSA-N 480.540 5.137 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)nnc1-c1ccncc1 255929373 AOGSYPZWNXFVFN-UHFFFAOYSA-N 476.631 5.306 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)nnc1-c1ccncc1 255929782 MQVSZOCGFCPSRL-UHFFFAOYSA-N 461.566 5.107 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 302997780 HRDROIPOQASHDR-UHFFFAOYSA-N 458.518 5.422 30 20 JKED CCc1c(C)sc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)c1C#N 409775163 VOIJGJNTRYAWID-UHFFFAOYSA-N 474.295 5.649 30 20 JKED CCOC(=O)c1sc2ccsc2c1CNC(=O)c1occc1COc1cccc(C#N)c1 500098346 LMGBUXXXTFMYKK-UHFFFAOYSA-N 466.540 5.113 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 501019499 JPVVYUOGEWCARY-UHFFFAOYSA-N 491.576 5.724 30 20 JKED CCOc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)cc1F 503379406 QJZUXOZHXWBDPZ-UHFFFAOYSA-N 496.770 5.748 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 504481032 TXAPSROUBLMYOI-SANMLTNESA-N 457.530 5.407 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCc2cnc3ccccc3c2)c1 508930769 CNTLUFRIADJGSB-UHFFFAOYSA-N 492.000 5.200 30 20 JKED CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510006523 PVOGWZJQAVMHNQ-NRFANRHFSA-N 455.892 6.261 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510022818 HBVGHVHQRFEWMJ-RUZDIDTESA-N 469.976 5.217 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3c3cccc(Br)c3)s2)cc1 511266302 LZFXRJXZGDDEHX-HXUWFJFHSA-N 467.392 5.737 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)n1 512959044 SEXYZSJBMCRHPL-INIZCTEOSA-N 475.353 5.696 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)cc3C2=O)c1 514607541 HIOKOZXYTFTYKW-OAHLLOKOSA-N 469.566 5.414 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2F)C(C)C)nc2sc3c(c2c1=O)CCC3 515182586 DIFQVCHITLDGEG-IBGZPJMESA-N 457.596 5.027 30 20 JKED C=CCN(C(=O)COc1ccc(Cl)c2cccnc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515609487 IULRGFVNVGGKKJ-UHFFFAOYSA-N 480.933 5.518 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1Cl 515902921 HPCRNQQRNDENRI-LJQANCHMSA-N 472.759 5.557 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 516713737 IAGLUAHQNDHDHF-MRXNPFEDSA-N 465.378 6.209 30 20 JKED COc1ccc(CCN(Cc2ccccc2)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 517532605 NNOPGTBXBPYSDC-NRFANRHFSA-N 459.615 6.366 30 20 JKED CCOc1c(Cl)cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 518301673 JLCXNCQYGDXOQM-UHFFFAOYSA-N 466.990 5.841 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)cc1C 519130190 IICOFQHRVBQKGW-UHFFFAOYSA-N 493.571 5.050 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 521809770 ISYOTHJQYZMQFR-DENIHFKCSA-N 454.599 6.516 30 20 JKED Cc1sc(NC(=O)c2occc2COc2cccc(C#N)c2)nc1-c1ccc(OC(F)F)cc1 522483570 UDHLGCDLTJNLFU-UHFFFAOYSA-N 481.480 6.016 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 523274453 HYYDWXCSTYTGHN-UHFFFAOYSA-N 461.861 5.481 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 524424221 OLLLQGVZBPIDGV-UHFFFAOYSA-N 490.293 5.311 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1ccc2ccccc2c1 560184107 GOESVAYXYZVBDN-UHFFFAOYSA-N 463.537 5.196 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCC3)c1 602758684 NGHNVDVOZNYZOG-UHFFFAOYSA-N 498.029 5.395 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)cn2)c1 603622713 CWXCKDMLPGIQDH-NRFANRHFSA-N 481.339 5.296 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccccc2Oc2ccccc2Cl)CC1 603653321 WZTOORVYMYZHHE-UHFFFAOYSA-N 489.919 5.606 30 20 JKED COc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1Br 603693013 SRBDWAMYIUGBLH-AWEZNQCLSA-N 467.323 5.399 30 20 JKED CCOc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 603794923 VVTBSYGJNGNZCO-XMMPIXPASA-N 482.584 5.420 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2Cl)cc1 604027214 ODGRQFKGMTWXTD-UHFFFAOYSA-N 479.923 6.111 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC2 604082076 OOODRWUXTPWFNB-AREMUKBSSA-N 496.032 5.313 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604241873 SPMLMCUWIQWULU-UHFFFAOYSA-N 487.519 5.859 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(OCC(F)(F)F)cc1 604430404 PYVBZQDLXNVUIG-OAHLLOKOSA-N 456.424 5.569 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 608917929 DJGQONSJPYKGOX-UHFFFAOYSA-N 460.405 5.533 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)s2)cc1 608931717 ZVDUPIUOAQQJTA-UHFFFAOYSA-N 492.655 5.167 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2sc3cccc(Cl)c3c2Cl)cc(OC)c1OC 609008256 VQOGCDLMAUTCBO-LBPRGKRZSA-N 451.331 5.229 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(F)F)c3cnn(C(C)C)c3n2)s1 609066402 IUHJOWDCRYAFAE-UHFFFAOYSA-N 467.501 5.775 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 609078799 OTDNCVFMZXESHO-RUZDIDTESA-N 458.562 5.387 30 20 JKED CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609079452 DBAUWVFLICPZFT-UHFFFAOYSA-N 484.890 5.171 30 20 JKED COc1nn(C)c2nc(C)c(CCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c(C)c12 609378469 KJNATWLBYOJLKI-UHFFFAOYSA-N 491.539 5.190 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NCc4cccs4)cc3)cc2)c1 609429550 LWZNTNIFCIKAIH-UHFFFAOYSA-N 489.578 5.143 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 609435416 NROHXXIEARVAML-OXJNMPFZSA-N 490.551 5.585 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)nn2-c2ccccc2)cc1 613403245 DRHHTFXSJHEKJD-FQEVSTJZSA-N 483.478 5.783 30 20 JKED N#C[C@@H](C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1nc2cc(Cl)ccc2s1 613404002 YPYYYRSBNDTTEA-INIZCTEOSA-N 454.338 5.303 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2-n2ccnc2)nnc1-c1ccc(Cl)cc1Cl 615674886 MPRBNXRMIIAGEE-UHFFFAOYSA-N 485.400 5.354 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)Cc2cccs2)c1 641930291 WVGHPZFXWSMKCY-UHFFFAOYSA-N 461.008 5.055 30 20 JKED Cc1ccc(-n2ncc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2C(F)(F)F)cc1 642156950 CXRGQYHRGSNDFB-VXGBXAGGSA-N 487.366 5.839 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc(-c2ccccc2)cs1 642281573 LBZSNXSZNJYQEA-INIZCTEOSA-N 463.971 6.267 30 20 JKED C=CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)c1ccccc1 647907271 UTUWWGNXWJRIQL-UHFFFAOYSA-N 471.376 5.083 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)cc1 725897524 DUMOMCIBPADKMX-UHFFFAOYSA-N 491.960 5.198 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726404986 BACHRHHRCTXELQ-LJQANCHMSA-N 491.400 5.244 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccs1)c1cccs1 726419577 IXGJJADMVBYAPY-NPDXCZOBSA-N 473.620 5.539 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)(C)C)cc2)[n+]2ccc(CCC)cc2)c1 726572952 RQZIXCVOCGDOST-UHFFFAOYSA-O 455.647 6.529 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(OC)c(Cl)c1 726891692 PSZVKZNVMKVCAE-OAQYLSRUSA-N 488.009 5.284 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(Cc3ccccn3)C2=O)cc1 728420215 AZFBSCMMBYZONK-VWLOTQADSA-N 491.576 5.267 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Oc3ccc(-c4noc(-c5cccnc5)n4)cc3)o2)cc1 729797562 GWXUXUJGNPDYDH-UHFFFAOYSA-N 464.437 5.061 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1sc2cc(Br)ccc2c1Cl 729888975 ACZOVJSGABYOMA-AWEZNQCLSA-N 471.763 6.312 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 730944867 HBHOPEVUKMKWOX-DRJWYRKTSA-N 464.616 5.294 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC)C[C@@H]2CCCO2)ccc1Cl 743911524 IUIDWMLFCMLROK-SFHVURJKSA-N 497.444 5.016 30 20 JKED CCOc1c(Cl)cc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)cc1OC 744806936 CJXWNYFGASDKGK-UHFFFAOYSA-N 460.987 5.212 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(Cc2ccccc2F)C(C)C)c1=S 746033774 XPHQRMLFRKNSNV-QFIPXVFZSA-N 454.571 5.120 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)cc1C 746697033 ZGFSXIADEKYBFV-JOCHJYFZSA-N 489.588 5.359 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1cccc(Cl)c1C 799212091 FNDWDOAIXTVWBB-NRFANRHFSA-N 469.994 5.031 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(CC(F)(F)F)C2=O)cc1 799216765 GPXLJARXLUPNSW-MRXNPFEDSA-N 487.450 5.119 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N([C@@H](C)c2ccccn2)C1=O 837299290 FXUWTTDRNGGVIK-CYFREDJKSA-N 488.613 5.429 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 838277548 AJUQDUNFPVJFOD-SBUREZEXSA-N 476.577 5.505 30 20 JKED COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)ccc1OCC#N 877852938 CWXOWIBZIMKHRG-QFIPXVFZSA-N 454.313 5.675 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 915086412 KHWYKOZCINTHOP-QHCPKHFHSA-N 482.005 5.278 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)oc12 915743316 FORNNBMXGYJBDH-WZONZLPQSA-N 467.525 5.303 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916127593 OWJYTJCZTWOJAI-POHAHGRESA-N 491.412 5.906 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(C[C@H]2CCCO2)C1=O 916207263 DMYQYGRLWXLWHW-YKSBVNFPSA-N 495.645 5.232 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 916309972 QCABMVHJPBMGSO-UHFFFAOYSA-N 453.571 5.177 30 20 JKED CCCOc1c(Br)cc(C=Nn2c(S)nnc2-c2ccccc2F)cc1OCC 916542060 CBWGOILKWUWZTQ-UHFFFAOYSA-N 479.375 5.205 30 20 JKED O=[N+]([O-])c1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1Oc1ccc(F)cc1 916546020 BITSZIUGSKVSIT-UHFFFAOYSA-N 483.912 5.946 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 916715442 QTMMDCBDUHUILD-VVJBIOMHSA-N 497.020 5.064 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)CCc1ccc(C#N)cc1 916877796 HBTZNHPAGKDTPU-UHFFFAOYSA-N 464.521 5.819 30 20 JKED N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)C(=O)Nc1ccccc1Oc1ccccc1 916904390 BSMOGMNRBIMZBK-HXUWFJFHSA-N 469.566 6.149 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 916906159 CDTRDEVALIBBGY-VWLOTQADSA-N 462.505 6.019 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1ccccc1Cl 916908116 GAAMOVLPWZYGEO-OAHLLOKOSA-N 478.986 5.451 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1OC 916944413 DAVFEZPVDKIWSG-QGZVFWFLSA-N 490.368 5.024 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br 916945512 CHKHRIHHYCRLHS-HNNXBMFYSA-N 470.150 5.045 30 20 JKED N#C[C@@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 916967756 XSSUYUZDNLJCTK-OFVILXPXSA-N 492.984 5.281 30 20 JKED CSc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916975797 FQFUSJQKPVLNOX-KXBFYZLASA-N 468.003 5.415 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1 916975979 HQQZKRNDRXRARN-MOPGFXCFSA-N 458.370 5.561 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046269 IUAGWHRMLVTRNI-WBVHZDCISA-N 474.369 5.093 30 20 JKED N#Cc1ccc(CSCC(=O)OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)cc1 917261745 BDJPDOYUJDVYJN-QFIPXVFZSA-N 499.548 5.052 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)C2)c1 917431109 ZAGQFUFEEWTWCL-MAUKXSAKSA-N 452.967 5.379 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CCN(CC3CC3)CC2)C1=O)Nc1ccccc1 917681547 PJHWUKVCYVHUTA-HSZRJFAPSA-N 497.064 5.175 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2ccc3ccccc3c2)n1 917700075 GULYEBHNRJHSPI-AREMUKBSSA-N 494.620 5.381 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccco2)C1=O 917704760 MYSPKSQVSRUEEI-HSZRJFAPSA-N 488.569 5.101 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 917706992 GMNKMKLFZBUPGY-ZHRRBRCNSA-N 489.988 5.328 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccccn2)c1 917707764 AKRNBHYYSJXMRN-XMMPIXPASA-N 472.614 5.043 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C(C)C)c1 917714348 SYYFYGSGHKFWNG-OAQYLSRUSA-N 475.561 5.085 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1 918414458 HNNBMYHZFYDWFA-XMMPIXPASA-N 488.385 5.234 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(CC(F)(F)F)C2CC2)ccc1Cl 920014153 SBKYCNJQCHELTI-UHFFFAOYSA-N 490.906 5.027 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)c4c(C)[nH]c5ccccc45)cc3)o2)c1 920106730 ZEXJJDMPWQBIPW-JOCHJYFZSA-N 460.493 5.707 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccc(C)s2)cc1 920171603 VTRIPFNHEJQECB-KSFYIVLOSA-N 497.617 5.926 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(C(C)C)c2)no1 920359549 OFTFJQTWPADGNP-JOCHJYFZSA-N 480.565 5.406 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)Cc4noc5ccccc45)CCC3)cc2)cc1 1785796417 DSQPSKLRTFEBET-UHFFFAOYSA-N 478.552 5.009 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)c1 1788359467 UCIWEHRYQWCYFY-UHFFFAOYSA-N 450.542 5.109 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)CCC1 1789234953 ZGYQRCXEGIEXLR-UHFFFAOYSA-N 482.515 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)CCC2)cc1 1789448628 FHNVRYHLNKDPQB-HSZRJFAPSA-N 492.616 5.157 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nc(C)oc3C(F)(F)F)CCC2)cc1 1789454115 QOGLVSQVEVZQSV-SFHVURJKSA-N 461.484 5.518 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1 1790144658 ZTFZHPYUZVWVLX-UHFFFAOYSA-N 475.552 5.318 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1 1790519010 CIQGHXUPOTWRMV-REWPJTCUSA-N 481.637 5.336 30 20 JKED CC(C)n1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)n1 1790767984 VSHNPFDJPIMBLA-UHFFFAOYSA-N 461.953 5.051 30 20 JKED Cc1nc(F)ccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790784921 BIIJBWQLDQEQLI-UHFFFAOYSA-N 496.464 5.481 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c[nH]nc4cc3Br)CCC2)cc1 1791730376 GAIJMYBRCQIUHZ-UHFFFAOYSA-N 493.405 5.267 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cccnc5n4)CCC3)cc2)c1 1792123884 SQNAPYIPRQTBBI-LJQANCHMSA-N 475.552 5.318 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(F)CCCCC1(F)F)c1ccc(F)c(C(F)(F)F)c1 1797806722 HZICJQNIFIHRLM-IGMJJTELSA-N 480.424 5.014 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cccc4c3oc3ccccc34)[C@H]2c2cccnc2)C1 1802412770 MQPBALXRFYSYNM-IBVKSMDESA-N 465.553 5.267 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)C3)[C@@H]1c1cccnc1 1802503024 KENQPLRULPOXNY-ISKFKSNPSA-N 475.633 5.107 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c3ccccc13)C2 1802631135 YAUZCWOIQDMGDE-REPLKXPHSA-N 467.407 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cc(Br)c1 1803910737 QYNAEXUWWYUREJ-YRPNKDGESA-N 465.819 5.123 30 20 JKED C#CCCCC(=O)N1CCC2(CCCN(C(=O)COc3c(Cl)cc(Cl)cc3Cl)C2)CC1 1805246324 ZMTNIJNZFBBAFY-UHFFFAOYSA-N 485.839 5.060 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)[C@H](C)c3ccc(OC)cc3)C2)CC1)c1ccccc1 1805321935 JGMBIBXXBBOOKF-UFHPHHKVSA-N 486.656 5.227 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)C1 1806063012 JIMQTURUCCZKBU-DEOSSOPVSA-N 468.638 5.292 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccc(Cl)cc2)[C@H]1c1cccnc1)c1cccc2ccccc12 1808976584 QPVJOJGTCSQYMP-OUTSHDOLSA-N 493.994 5.260 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c4cc(Cl)ccc34)[C@@H]2c2cccnc2)c1 1809193985 GAGQNIFYTPORHI-FNZWTVRRSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1810177283 CUPYSUSRGNHMRY-ZGIBFIJWSA-N 479.624 5.837 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cncc2Cl)[C@H]1c1cccnc1 1810489376 LLDHLEXJVQPRRH-UWJYYQICSA-N 475.420 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1811696909 IYNBFRSBLOSNAT-HMFYCAOWSA-N 488.415 5.182 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)[C@H]1c1cccnc1 1812591631 KXAZVYTWPGCNNS-UDJSKEQPSA-N 484.625 5.376 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1812959190 NAWASVMCCHWILH-FIBWVYCGSA-N 473.661 5.256 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1813226385 ODILZJBOPRRBMM-BKMJKUGQSA-N 482.024 5.035 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)[nH]n1 1814828857 KPXBXOBQLUKVTO-XMMPIXPASA-N 497.603 5.127 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CSC3CCCC3)n[nH]2)c1 1815186682 FNLJYQDFKZGOKC-VGOFRKELSA-N 465.623 5.018 30 20 JKED C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 1817405631 INVMEACAXLHABR-QGZVFWFLSA-N 467.978 5.086 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(C)snc3s2)n[nH]1 1817829783 FKJXCFLQFYBBID-YJBOKZPZSA-N 469.636 5.464 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)CC3)n[nH]1 1817941416 ZJLVFJJRRDUYRG-IBGZPJMESA-N 472.536 5.031 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)cc1 1818454329 QZWWWRBAECVKII-RUZDIDTESA-N 463.541 5.249 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)n[nH]1 1818869318 XGQNNGQHCJDRIL-ZIFCJYIRSA-N 462.928 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)[nH]n1 1819309390 UFVNIEKBCOQWKF-OXJNMPFZSA-N 451.596 5.335 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(Cl)ccc(Cl)c3O)n[nH]2)cc1 1821267111 SYTFDVDIIHGTOA-LJQANCHMSA-N 498.370 5.108 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821364957 UIULVFIMPQXKFZ-QHCPKHFHSA-N 496.583 5.580 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccc(Cl)cc1 1821857280 RGTAQFOGSPNOSP-HYISASTESA-N 496.011 5.207 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)[nH]n1 1821924620 FGVYUURCUOJPAD-KBXCAEBGSA-N 474.487 5.109 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1821986947 UTCAMTALNNLLDK-SFHVURJKSA-N 473.911 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1823218484 RYHPUCYWXNVAOE-ZHRRBRCNSA-N 486.963 5.182 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3cc(F)cc(F)c3)CC2)C1 1823700269 OOBYEOAAVXKQLX-VWLOTQADSA-N 479.571 5.226 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1823714345 MCALMEWQIRSLKY-NAKRPHOHSA-N 498.614 5.533 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1823753592 UZYPMPSSPZZIEM-DHIUTWEWSA-N 491.717 5.292 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)cc2s1 1824023901 LTFCZULNPLAZFV-DYVFJYSZSA-N 489.626 5.161 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(=O)c3ccc(Cl)cc3)CC2)c1 1824164881 IPHRDWGYEJTZDW-KBMIEXCESA-N 492.019 5.083 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 1824961681 XRWQHGZSOIAVNI-HXUWFJFHSA-N 499.902 5.255 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c(C)noc2C)CC1)c1ccccc1 1825259349 DWNYYEJOTMNVHL-IZLXSDGUSA-N 489.660 5.041 30 20 JKED C=CCCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c(O)n1 1825625432 HNHTUMSEXUNHLY-XMMPIXPASA-N 487.600 5.199 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1826321683 XSWWZQFAVFVZQM-RUZDIDTESA-N 461.631 5.126 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CC1 1826682385 QEFIVTUBVJDUFB-RUZDIDTESA-N 480.612 5.143 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826783084 ZBBOMBDEFVLWGX-IZDQGOMCSA-N 463.666 5.196 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1)c1cccs1 1827680123 JBMTVMTVFOSMPN-ABSORMQESA-N 499.076 5.393 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4n3C)CC2)c1 1827997604 PKLGRPVQEQMZGW-KDYSTLNUSA-N 482.628 5.352 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)cc1 1828291220 FAXBMTHIJRTWDR-AREMUKBSSA-N 489.019 5.169 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(Br)cccc4n3)CC2)C1 1828706223 AMDJNSGFLREIRV-XMMPIXPASA-N 496.449 5.197 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1 1828829596 JUJWKDPDZCBMBP-FTJBHMTQSA-N 451.655 5.019 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828886442 NZUDYINWDHXLHE-JWQCQUIFSA-N 498.067 5.003 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ncccc2C)CC1)c1ccccc1 1829029591 CXXPSZSFOBJAKV-PXJZQJOASA-N 485.672 5.140 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830409139 WXRCABXIBGUHRC-JOCHJYFZSA-N 498.655 5.500 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(NC(=O)OC)c2)CC1 1830440476 BBAIJGSCHPHKJO-HSZRJFAPSA-N 469.626 5.091 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cc4ccc(F)cc4)cc3)CC2)c1 1830458745 WLYWTZSKTAFQEM-MUUNZHRXSA-N 498.602 5.163 30 20 JKED COc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc(F)c1F 1830661396 RZVNPIHPKGYWDF-HOYKHHGWSA-N 495.570 5.148 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2s1 1830894494 XEXSMRHJWXLSRW-CJAUYULYSA-N 488.657 5.712 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830987185 FMWZSLRBMMSOKQ-KKSFZXQISA-N 489.479 5.154 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1831371483 VWNRAHGJKFPANF-PGRDOPGGSA-N 467.576 5.533 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1)C(F)(F)F 1831455325 JLAXKQROCBSDOX-IBGZPJMESA-N 476.461 5.366 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1831566176 ANEIIFWUAAIYBK-GVUKDKGQSA-N 479.665 5.019 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831844814 XIUWVRRETITTJS-YBVWCTEOSA-N 488.097 5.179 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1831926950 HNAQVRVFKWEKAN-PEGYQXGSSA-N 498.614 5.255 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836756 WGSDTFWKFZBEKK-UHFFFAOYSA-O 466.360 6.172 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2cccc3ccccc23)cc1 11126006 YBUZRAWQUVIEDJ-UHFFFAOYSA-O 469.586 5.512 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1-c1cccnc1 18404924 BLWKMGAIWAYVHO-QFIPXVFZSA-N 486.557 5.215 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc2sccc2c1=O 21274115 LXRNSZURCZDSQP-NRFANRHFSA-N 482.030 5.295 30 20 JKED C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 22493103 ZLORYRGUECMLKZ-KRWDZBQOSA-N 478.907 5.202 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1[C@@H]1COc2ccccc2O1 23518081 PFAJLKXNMUOLLR-QZMQVMSPSA-N 490.585 5.081 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc12 28663004 RUJNSLUCVUYUSP-QGZVFWFLSA-N 458.543 5.326 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 29055118 NPMHQYLESSJBNL-FQEVSTJZSA-N 488.510 5.299 30 20 JKED C=CCn1c(SCc2nc(-c3ccccn3)no2)nc2cc(-c3ccccc3)sc2c1=O 31844744 AGNGDWIOHUGKJS-UHFFFAOYSA-N 459.556 5.048 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 46861541 VQBRPDOECGWSAI-XUZZJYLKSA-N 463.940 5.528 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)cc(OC)c1OC 68734459 HHJCXTMJTZLNFU-UHFFFAOYSA-N 498.938 5.738 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3)n2)nnc1-c1ccc(Cl)cc1 109068525 BQNRFCREHFDUBH-UHFFFAOYSA-N 482.034 5.715 30 20 JKED Cn1c([C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2)nc2ccccc21 109452032 OQAIZADHNVVYJH-SANMLTNESA-N 462.509 5.136 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c2ccccc21 255937014 MXPYSMUEGOWHCS-UHFFFAOYSA-N 469.595 5.839 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 303087183 YAPWLSKKCIWFPE-UHFFFAOYSA-N 490.007 5.118 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)O[C@H](C)C2 409803517 CAGSJYPMIDTGGC-WSNNEZGNSA-N 481.552 5.275 30 20 JKED Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4cccc(Oc5ccc(C#N)cc5)c4)c3)cc21 475233428 NKIIYOGTVAOOFS-UHFFFAOYSA-N 461.481 5.257 30 20 JKED COc1ccc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1NC(=O)c1cccc(F)c1 482660457 GDZKZDUWMSYWKA-UHFFFAOYSA-N 476.533 5.205 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)n1Cc1ccccn1 487349839 DIVBNDNQZYNHMI-UHFFFAOYSA-N 495.530 5.738 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)s2)cc1 487420039 NBOVXILBHHLTMS-UHFFFAOYSA-N 468.567 5.167 30 20 JKED COc1ccc(C(=O)CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 489573733 VVYWPVGIRQBYMQ-UHFFFAOYSA-N 473.476 5.235 30 20 JKED CC(C)Oc1ccccc1CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 490907553 LETREJAEHKHOSW-UHFFFAOYSA-N 459.571 5.006 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 501140592 FDIBHFGODGIMST-UHFFFAOYSA-N 463.896 5.191 30 20 JKED O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NCC#Cc1cccc(C(F)(F)F)c1 502477305 YJZLJUNGWWIRCJ-UHFFFAOYSA-N 469.315 5.846 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC)cc1C(F)(F)F 502682381 VDXODJVOHXGWDS-UHFFFAOYSA-N 461.253 5.836 30 20 JKED C[C@H](CC#N)N(C)C(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 505137938 WHAGQRDBHDBUFW-HXUWFJFHSA-N 496.032 5.105 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4cccc(C(=O)Nc5cccc(C#N)c5)c4)CC3)c2c1 510641162 PEGHGIDOKQJASZ-UHFFFAOYSA-N 493.567 5.712 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 510870903 COEUGZVGPKJBQK-IBGZPJMESA-N 460.578 5.161 30 20 JKED CCN(C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 511757436 OYHRTPYVUJZWMD-KRWDZBQOSA-N 458.370 5.699 30 20 JKED Cc1nc(NC(=O)c2cccnc2Oc2cccc(Br)c2)sc1SCC#N 514468620 ADIPIWFOBHSOBW-UHFFFAOYSA-N 461.366 5.269 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCC3(c4ccc(Cl)cc4)CCOCC3)s2)cc1 516233245 XWEITVFHKGZYBR-UHFFFAOYSA-N 466.994 5.129 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 516287519 UTOFFNIIFCSMNF-UHFFFAOYSA-N 483.474 5.473 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cc(Br)cs4)n3)n2)cc1 516714007 NDTGAOZEQZUQKY-CQSZACIVSA-N 497.424 6.119 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2nnc(SCc3cccs3)s2)cc1 516804536 IKMDXQABDOPFOQ-UHFFFAOYSA-N 464.597 5.595 30 20 JKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3SC[C@H](C)C#N)[C@@H](c3ccco3)C2)cc1 517455634 WUCDZJNVQWPNGF-AUSIDOKSSA-N 458.587 5.630 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1 518168749 BNYQRMCKCDQSER-UHFFFAOYSA-N 461.978 5.594 30 20 JKED CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N 518654022 ULKPBWZSVUEMRV-QGZVFWFLSA-N 451.621 5.014 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2Br)no1 518660959 MOOFKTUPYZQECV-CQSZACIVSA-N 486.391 5.829 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 518739180 RUDZLFZXPZDIIR-OAHLLOKOSA-N 468.376 6.283 30 20 JKED CSc1ncc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1-c1ccccc1 520429346 LKYGWHKLCWIAQQ-AWEZNQCLSA-N 452.511 5.486 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@H](C)Oc1ccccc1C#N 520448258 ZVNGVPBULOJXOH-INIZCTEOSA-N 467.447 5.544 30 20 JKED CCC[C@@H](C#N)NC(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 522589874 RRNPHIANRAIEFQ-SFHVURJKSA-N 476.046 5.225 30 20 JKED N#CC1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)CCCCC1 523164426 YGZRNGZKOLQOLL-UHFFFAOYSA-N 452.363 5.207 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 523696796 BTZPZZAKKANUCD-LJQANCHMSA-N 469.545 5.099 30 20 JKED CCc1c(C)sc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1C#N 524331153 XHXDUEOAGWOXQW-UHFFFAOYSA-N 460.328 5.832 30 20 JKED C=CCn1c(SCC(=O)c2sccc2Br)nc2sc(C)c(C)c2c1=O 570878648 CCQRJKCFSILZJO-UHFFFAOYSA-N 455.424 5.060 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 603440965 WBPDINQUSDYPLD-UHFFFAOYSA-N 492.626 6.386 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 603697776 JJUXGHQLJKIZJB-UHFFFAOYSA-N 472.524 5.004 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cncc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)cc1 603737984 ZOGFDLJTBXBJQY-UHFFFAOYSA-N 451.530 5.189 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N(CC(C)C)c1ccc(C#N)cc1 603755083 OSNHPCHXITYCDJ-UHFFFAOYSA-N 455.484 5.006 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccs1 604089505 BZNRBRZCZPRWPC-GOSISDBHSA-N 455.923 5.491 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 604128281 RZBFXKZZPZHXOA-FQEVSTJZSA-N 458.562 5.224 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)NC(C)=O 609115977 QMQYPRKNLXOGSL-XMMPIXPASA-N 491.975 5.395 30 20 JKED Cc1nnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1CCc1cccs1 609371800 YNDWANLTHOPLCO-HNNXBMFYSA-N 457.650 5.016 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 609377429 WXSHVSMGJMZPSA-GOSISDBHSA-N 465.600 5.016 30 20 JKED CC(=O)N(c1nc(CNCCSCc2ccccc2C#N)cs1)c1ccc(F)cc1F 611560140 WCWKQMYDDRLXHJ-UHFFFAOYSA-N 458.559 5.001 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804803 XGMANOMISLDYTB-VXGBXAGGSA-N 450.345 5.756 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCCC2)nnc1-c1ccccc1OC 613933348 SHGIOCUZQMYEAF-RUZDIDTESA-N 476.646 5.670 30 20 JKED O=C(NCCc1ccccc1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618922177 XQDCLFDOUPEIOT-ITGUQSILSA-N 450.345 5.457 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 642282271 ZCOUPYOYNPZUAV-MRXNPFEDSA-N 471.460 5.989 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 648026767 BJZRISPSFMXXBB-UHFFFAOYSA-N 465.600 5.080 30 20 JKED N#Cc1ccccc1N1CCN(Cn2nc(Nc3ccc(SC(F)F)cc3)sc2=S)CC1 725774915 PRFXSRZTLNUYEK-UHFFFAOYSA-N 490.630 5.384 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C)s2)cn1 726117055 QJPPGDVCCSXJSK-OAQYLSRUSA-N 481.647 5.050 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c12 726319890 PGLBCCFFWVCSHB-SFHVURJKSA-N 478.480 5.474 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 726319927 QAMALHZLGXXSMO-NRFANRHFSA-N 485.531 6.062 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 726321743 PMBUJGDLSRBRIU-OWUIVRORSA-N 465.638 5.493 30 20 JKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1-c1ccc(Br)cc1 726322339 VNSVJLJXCLTVJX-OAHLLOKOSA-N 474.717 5.208 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 726413881 VKSAKTKBJQRQCU-CPJSRVTESA-N 482.609 5.401 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/[C@@H](C)c1cccs1 726421979 RAGJFOJOHPVSNJ-BWVBPVRTSA-N 478.437 5.047 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(CC(F)(F)F)C1=O 726423358 ZATOHJFWDGDRFN-NTTOUURBSA-N 499.580 5.489 30 20 JKED Cc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C)n1Cc1ccco1 726626199 AWDYUTKVHGDIGI-UKWGHVSLSA-N 453.976 5.677 30 20 JKED Cn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccs1 726858057 FGFPBNWUSAELLH-CQSZACIVSA-N 472.020 5.289 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 728125594 VNUMTAPZSIDHIW-UHFFFAOYSA-N 465.491 5.680 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N([C@@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729144093 AZWYNLYFHOMSJP-IFMALSPDSA-N 490.000 5.097 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2cccc(O)c2)c1 729670654 SQDDAJXGAUORKO-UHFFFAOYSA-O 481.594 5.357 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CCC2)C1=O 730460574 BNOMBBLPCNWIQK-IBGZPJMESA-N 478.401 5.515 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCC2)cc1 730460968 JGGOWUYHRFCUJM-GOSISDBHSA-N 478.401 5.515 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2C)c(C)s1 730708994 LUFQAYFFBPOQIC-OXJNMPFZSA-N 479.631 5.185 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2c(C)cccc2C)s1 730710394 JZHDDRSMTQLBJJ-HKUYNNGSSA-N 479.631 5.185 30 20 JKED CCn1ncc2c(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)cc(-c3ccccc3)nc21 731071043 KSGPRMPBQDDKBY-GOSISDBHSA-N 499.596 5.165 30 20 JKED Cc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)sc2c1 731080094 YLNKIOPQIFQJLX-AWEZNQCLSA-N 458.992 6.053 30 20 JKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc(OC)c1OCc1ccccc1 732785038 VBSUEEZZENNQBP-HZHRSRAPSA-N 474.582 5.791 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1F 745991230 RHGVAHSSMJLGTJ-KRWDZBQOSA-N 452.338 5.255 30 20 JKED CC(C)(C)N1C/C(=C/c2cnc(-c3ccccc3)nc2)C(=O)/C(=C/c2cnc(-c3ccccc3)nc2)C1 747066517 MKVVSABKDOEBPJ-ASYRIYPMSA-N 487.607 5.751 30 20 JKED N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc(-c2ccc(Cl)cc2)cs1 747111859 UCZXOVRWOLYFIZ-MRXNPFEDSA-N 472.016 6.290 30 20 JKED COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 747620006 RWOBLKQQOVCSIN-UHFFFAOYSA-N 469.950 5.016 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC(F)F)cc1 799217915 XWSXSDXNLQLLES-OAQYLSRUSA-N 479.508 5.035 30 20 JKED C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)N(CCC#N)c1ccccc1 828582804 KUTKZDMWZVQCNC-OFNKIYASSA-N 460.603 5.157 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 837775341 WPRWVYHHGLQABJ-SZNDQCEHSA-N 484.503 5.220 30 20 JKED N#Cc1ccc(NCc2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)cc1 904667531 BAOWBYWADPSTJH-UHFFFAOYSA-N 471.826 6.080 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N([C@@H](C)c2cc(C)sc2C)C1=O 914694405 JEXZUZPZWUGJFK-SJCJKPOMSA-N 485.553 5.092 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cs2)cc1OC 915086244 IJQAUSMSEMDFHE-NRFANRHFSA-N 455.539 5.735 30 20 JKED N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 915098855 FEYDOLWWDNNRIX-NRFANRHFSA-N 479.521 5.476 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(CC3CCC3)C2=O)c1 915116600 KSHBMUVWXVQDAI-FQEVSTJZSA-N 489.544 5.057 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC(F)F 915354317 ZTGMUHWKKHMBOZ-NRFANRHFSA-N 451.473 5.616 30 20 JKED Cc1c([N+](=O)[O-])cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1[N+](=O)[O-] 915650347 ZCJGFWARGBYFQW-UHFFFAOYSA-N 491.407 5.002 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916127594 OWJYTJCZTWOJAI-UXBLZVDNSA-N 491.412 5.906 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccc2)c1 916204776 BOTSGJBAURNMJV-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 916208890 ZIIQMKLTLPQVCS-HXUWFJFHSA-N 477.989 5.174 30 20 JKED CCOc1c(Cl)cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 916284287 VKDZJAOKYDFAAP-UHFFFAOYSA-N 453.951 5.376 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1OC 916886092 DDXTWBYLUKZCCT-HNNXBMFYSA-N 489.525 5.103 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(SCc2ccccc2)cc1 916930637 FIPLVEQADYJRBT-LJQANCHMSA-N 455.366 6.247 30 20 JKED COc1ccc(-c2noc(CCCC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)n2)cc1 917046494 KKRBSDZAUFIXAC-MRXNPFEDSA-N 452.923 5.207 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(Cl)ccc2Cl)cc1 917613161 LYVAYEHFPCYCGO-UHFFFAOYSA-O 497.471 7.379 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2csc3ccccc23)C1=O 917653197 MVVUCWYGCJKVOI-GOSISDBHSA-N 491.610 5.484 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(C#N)cc2)C1=O 917673999 LJAOPGRTALVEGG-HSZRJFAPSA-N 489.000 5.681 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccsc2)C1=O)Nc1ccccc1 917675966 JOMUBMNZYQDXSL-LJQANCHMSA-N 487.553 5.510 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C2CCCC2)C1=O 917704173 GMOPHJVFKYECGZ-QFIPXVFZSA-N 497.020 5.432 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(C)cc2C)c1 917813801 JPRGKOXFAQRCMS-UHFFFAOYSA-N 469.006 5.615 30 20 JKED C=CCOc1ccc(/C=C/C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC 918655049 SJWNBBWPQDEYGJ-CSKARUKUSA-N 474.523 5.073 30 20 JKED COc1ccc(C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CCOCC2)cc1 920221643 NJBHGSHGRBNKTC-DEOSSOPVSA-N 460.961 5.691 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)nc(O)c2c1C 920269763 YLYMTMNMDUDHEX-ZFWWWQNUSA-N 481.628 5.030 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1cccc(C(F)(F)F)c1 920750157 VTPJWHZZQNMLCV-VZUCSPMQSA-N 497.469 6.146 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 920877973 UQVWEPRIMCVVKF-OAHLLOKOSA-N 474.916 5.780 30 20 JKED CC(=O)N(c1nc(/C=C2\CCOc3c(ccc(Cl)c3Cl)C2=O)cs1)c1ccc(F)cc1F 921138239 AOURYEXFONWCLA-XYOKQWHBSA-N 495.334 6.462 30 20 JKED C#CCOc1ccc(/C=C(/Cl)c2nc(O)c3c(C)c(C(=O)OCC)sc3n2)cc1OCC 1317701342 JTMGSJDSXANGBW-RVDMUPIBSA-N 472.950 5.030 30 20 JKED COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCN1C1CCCCC1 1729989371 UGBZKJUYTMMRAN-GHTZIAJQSA-N 471.049 5.000 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)cc1 1785788036 FJDSDAWRWKXCBO-UHFFFAOYSA-N 465.340 5.322 30 20 JKED COc1ccc([C@@H](C)C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)cc1 1786036467 CXLFZLSYGBYBSA-LJQANCHMSA-N 453.542 5.118 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1786103560 OLQFJOIVKVBMBY-QHCPKHFHSA-N 481.637 5.192 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)Cn4ccc5c(F)cccc54)cc3)CCC2)c1 1786107971 YOIQFKUIIGMPGN-UHFFFAOYSA-N 484.506 5.239 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3N3CCCCC3)CCC2)cc1 1786367115 AELVRTOEIKGOAZ-UHFFFAOYSA-N 475.633 5.407 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3sccc3F)CCC2)cc1 1786544168 DPPYJPGNBRXWJL-IBGZPJMESA-N 487.597 5.104 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786697700 KDPYTAOKAJTFMD-UHFFFAOYSA-N 485.024 5.616 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CNc5ccccc54)cc3)CCC2)c1 1788049207 RZSHKJPFNSXGBR-UQBPGWFLSA-N 464.569 5.271 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4sc(C)nc4c3)cc2)CCC1)C(F)(F)F 1789048452 UFQCYOUGMMSABV-UHFFFAOYSA-N 459.493 5.471 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)cc12 1789274287 JZZWPFWAGBXSOV-UHFFFAOYSA-N 462.553 5.604 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5[nH]4)cc3)CCC2)c(Cl)c1 1789316570 HTLHXQNQNUJDKZ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)cc1 1789328199 ZIDGHPRHFLNYRJ-UHFFFAOYSA-N 460.537 5.362 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)n[nH]1 1789508201 WYQKIBABGSVGCZ-UHFFFAOYSA-N 464.686 5.332 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc4cccn4cn3)CCC2)cc1)c1ccccc1 1789600149 CRRGPSJBKWKDGE-SANMLTNESA-N 476.580 5.279 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)[nH]4)cc3)CCC2)c1 1789672072 OOJJTPZNAYDLGG-UHFFFAOYSA-N 480.490 5.286 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccncc4)[nH]n3)cc2)CCC1 1789792412 SQNPEQIFHNHJJM-UHFFFAOYSA-N 457.578 5.212 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccncc5)[nH]n4)cc3)CCC2)c(Cl)c1 1789793828 ZIXOUHIBZIBXGD-UHFFFAOYSA-N 496.958 5.058 30 20 JKED CC(C)CCC(=O)NC1(c2ccc(NC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1790472202 XKSUAYHECYPAJC-UHFFFAOYSA-N 496.652 5.098 30 20 JKED C#CC(=O)Nc1ccc(C2(NC(=O)CCCCCCCCNC(=O)OC(C)(C)C)CCC2)cc1 1791199372 TVBBOEJISMPAAO-UHFFFAOYSA-N 469.626 5.009 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Br)cccc4n3)CCC2)cc1 1791575492 MLSXJSZAFNULBB-AWEZNQCLSA-N 484.419 5.063 30 20 JKED COc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792123057 ZFJQQJFNAPJNNI-FQEVSTJZSA-N 467.569 5.313 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5n4)CCC3)cc2)c1 1792123456 CHGHHEQEBMYDOE-IBGZPJMESA-N 475.552 5.318 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccc(-c4ccccc4)cc13)C2 1793051531 KJACVVYAIVXFQP-BKFWDETESA-N 468.601 5.250 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2 1793052774 QJMKMDFPQFELAV-KOUNCHBCSA-N 457.574 5.448 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#Cc2ccc(Cl)cc2)C3)[nH]c2c(Cl)cccc12 1796701209 XLJQODPYHHKJSP-ACDBMABISA-N 480.395 5.087 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)ccc3[nH]1)C2 1798592855 LTJYXHABCJJAFB-REPLKXPHSA-N 472.427 5.175 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC)C2 1800175949 ZLZMJFUHRDKZNW-LRSLUSHPSA-N 465.679 5.069 30 20 JKED CCCC[C@H](CC)COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(C#N)CCC2)C3)cc1 1800636265 MALLMLLJJRNXEY-OXCBMLQPSA-N 493.648 5.005 30 20 JKED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCc1ccccc1 1804282507 UGMXKEWUGYWRCQ-HDLKCZAISA-N 466.666 5.026 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C[C@@H]3CCc4cc(OC)ccc4C3)CC2)C1 1805456532 AUVGTZDICDYJCW-HSZRJFAPSA-N 478.677 5.190 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808159406 KTABSYINSHHMGJ-NBGIEHNGSA-N 493.051 5.837 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1808463156 NGTQZSLCCMDDSA-AHWVRZQESA-N 484.600 5.133 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC=C(C)CC2)[C@H]1c1cccnc1)c1ccccc1 1810442909 BFTDDNKVYKMUCU-DALQOBCZSA-N 469.629 5.031 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(C(F)(F)F)cc3Cl)[C@H]2c2cccnc2)C1 1810960245 SNWNQGWJGGHTQQ-IIBYNOLFSA-N 477.914 5.040 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@@H]1c1cccnc1 1812588511 NOXYQLUKUPSLIL-PRCFCKQXSA-N 484.522 5.114 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@@H]1c1cccnc1 1812667987 OQBBWVDWWYITEE-YLJYHZDGSA-N 498.496 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1812954615 XDWVTWJBPKOFIC-STROYTFGSA-N 491.701 5.488 30 20 JKED CC(C)Oc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCC3CCCC3)[C@@H]2c2cccnc2)cc1C#N 1813958850 DHHLFLRZUXCFBH-RBJSKKJNSA-N 488.632 5.030 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCCCCCCCCCC(=O)OC)[C@@H]1c1cccnc1 1814223563 UTWNEKOVTBQEKC-CKOJHNACSA-N 499.696 5.374 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[nH]n2)C1 1814397398 ZFOZVMLDZONEQR-JOCHJYFZSA-N 485.613 5.892 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)[nH]n1 1814441681 DYJHZTUMONVEBO-NRFANRHFSA-N 462.598 5.078 30 20 JKED CO[C@](C)(C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](S)C(C)C)n[nH]1)c1cccc2ccccc12 1815241513 FFRIDZPGKCDUSN-LLGBQNBKSA-N 494.661 5.071 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165419 UPNXQGXDULUYRB-UZLBHIALSA-N 466.969 5.841 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3scnc3c2)n[nH]1 1819146709 DWNTURHICBXIJS-IBGZPJMESA-N 451.596 5.318 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)[nH]n1 1819552084 DPVUXZVLHCFZEC-IBGZPJMESA-N 476.593 5.465 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3F)n[nH]2)cc(C(F)(F)F)c1 1820414207 WZSAJWQTDWRGTK-FQEVSTJZSA-N 485.441 5.059 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)[nH]n2)c1 1820485801 FTACLNBIYRNDII-AREMUKBSSA-N 491.551 5.693 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1820645169 KGRASPPARAEGIF-JOCHJYFZSA-N 491.979 5.343 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)cc2n1 1821276543 YYNBUHNVVIFWQT-FQEVSTJZSA-N 488.935 5.004 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821429465 WTCGIUHYAOVWCO-BTYIYWSLSA-N 451.958 5.129 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)cc2s1 1821440702 QMUUDKDRTRKHCF-NRFANRHFSA-N 495.725 5.618 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821609701 HMAWQGDSMNIAFU-HTAPYJJXSA-N 472.545 5.206 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[nH]n2)CCC1 1823378987 UMSYJTMDJILKLW-OAQYLSRUSA-N 498.612 5.619 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 1823683757 IJZNFMHXTNUHKR-AREMUKBSSA-N 478.036 5.007 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)ccc2n1 1823684043 WWCMJJGLNAQOIU-LJAQVGFWSA-N 494.639 5.281 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)cc(OC)c2F)CC1 1823754067 XHLFKOLSPPSLPK-QFIPXVFZSA-N 474.617 5.069 30 20 JKED O=C(c1cc2ccccc2o1)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055507 NLRBDBZVIJWUBP-DEOSSOPVSA-N 474.988 5.371 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1824140661 BUHDVBFPGGNMMW-RDPOUHODSA-N 489.704 5.753 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1824385410 AVFRXSOZFYQEAF-AJTFRIOCSA-N 489.685 5.291 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1824509110 UFMZSQVHVBEFQH-CYFREDJKSA-N 499.051 5.326 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2nc(-c3ccccc3)sc2C)CC1 1824956963 XZPVOWANQOGHCP-DEOSSOPVSA-N 497.730 5.200 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4n3C)CC2)c1 1827997608 PKLGRPVQEQMZGW-ZBLYBZFDSA-N 482.628 5.352 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC1 1828353617 PESIOMZOSDDSSG-XUZZJYLKSA-N 487.566 5.557 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828828653 OLACQRJNUYNJJF-NVQXNPDNSA-N 463.622 5.178 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccoc3c2)CC1 1828905487 RXHZTAYLNKWHDF-DEOSSOPVSA-N 479.697 5.112 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccnc2Cl)CC1)c1ccccc1 1829029951 IFZVYZIDSRUENC-LADGPHEKSA-N 496.026 5.305 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1 1829750450 YHIXLDYBMIVHJX-PIKZIKFNSA-N 495.627 5.251 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1 1830172324 RTYHEGMXOGUTJP-AREMUKBSSA-N 487.644 5.311 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830411889 XZVFLOFZFSLDJV-FUCFDFLFSA-N 489.660 5.578 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1830417083 XNTQOCVOLKTWKX-UWJYYQICSA-N 473.614 5.075 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1830628350 GCBMMRBHEKKLBL-DEOSSOPVSA-N 489.616 5.654 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830770245 SFDDGOZDOMNFKE-DEOSSOPVSA-N 467.972 5.206 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nscc23)CC1)c1cccs1 1830971932 NKAWPYGSQWORNY-CZQLGGELSA-N 493.654 5.030 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1831371082 RGRWWYCKYDKAIU-AVRDEDQJSA-N 487.019 5.110 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3ccccc3)n2)CC1)C(F)(F)F 1831451403 UFDVUXXNNRXAJB-QHCPKHFHSA-N 471.523 5.100 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1831948858 RSYRQJQTRSIPBT-QFIPXVFZSA-N 482.974 5.325 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c12 1832633021 ZEXHBRSWWUISNT-ZBLYBZFDSA-N 482.628 5.651 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1832633929 HILJKHZMSOEFRR-QFQXNSOFSA-N 486.660 5.553 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832713367 NTPCESPTMFWDGH-QFIPXVFZSA-N 466.519 5.271 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)CC1 1836603573 SQLIIRGYYZGZMJ-HXUWFJFHSA-N 475.073 5.435 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)CC1 1837317522 NAEJATJNAZYGAS-UHFFFAOYSA-N 495.639 5.425 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)CC1 1838373482 QLJSBEVRCXMUKZ-MHZLTWQESA-N 466.666 5.266 30 20 JKED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)C1)c1ccccc1 1844009487 CXIZLSCOSSPZDC-JOCHJYFZSA-N 493.529 5.201 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc([C@@H](C)C(F)(F)F)cc1 1847267339 FRZXAGQGKHJZHF-QMMLZNLJSA-N 450.545 5.089 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NC1(C#N)CCCCC1 8641563 AXRGCPCOUXUNHW-KRWDZBQOSA-N 466.010 5.411 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N(CCC#N)c1ccccc1 8988841 GJWHMFVWQFDSEO-GOSISDBHSA-N 480.037 6.141 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCc2ccc(C#N)cc2)cc1 9704158 XECRVQBOBMQZRV-WSDLNYQXSA-N 453.523 5.273 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179885 DPUFPAJVKWWWEB-UHFFFAOYSA-O 487.645 5.582 30 20 JKED Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)cs2)cc1 10848107 SYSBZBZXTGVTDP-UHFFFAOYSA-N 462.575 5.319 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11162341 IUTCUJKNORNOBV-UHFFFAOYSA-O 487.595 6.511 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2ccc(N(C)C)cc2)c1 14872154 ILTAQUPQUQGMIY-UHFFFAOYSA-O 483.455 5.416 30 20 JKED Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2SC[C@H](C#N)CCC#N)c(C)c1 15233018 ONBMCONRDMOMNT-NRFANRHFSA-N 451.599 6.164 30 20 JKED Cc1cc(S[C@H](C)C(=O)OCc2nc(-c3ccsc3)no2)n2c(nc3ccccc32)c1C#N 22645018 VXRUAHOWKGBWPB-CQSZACIVSA-N 475.555 5.003 30 20 JKED COCCN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(Cc2ccccc2)cc1 22791644 SHTSJIAUWDXICJ-UHFFFAOYSA-O 474.433 5.047 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)nnc1-c1ccco1 23202096 XNUZDCFHLDHYEH-UHFFFAOYSA-N 467.601 5.351 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)cc1OC 25992037 FTZSXBIAGFFODL-UHFFFAOYSA-N 466.559 5.375 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 71989656 NKIBXPUFHRGPGX-UHFFFAOYSA-N 464.550 5.287 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1nc2cc(Cl)ccc2s1 195664280 INVIFYAFYWRZMN-HOCLYGCPSA-N 475.904 5.032 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N1CCCc2ccccc21 255930632 LGXOZVQCLCOHES-KRWDZBQOSA-N 469.010 5.157 30 20 JKED COc1ccc(-c2nn(CN(CCC#N)CC3CC3)c(=S)n2C2CCCCC2)cc1OC 303205355 MZFRTEHNQCKMEL-UHFFFAOYSA-N 455.628 5.187 30 20 JKED CC[C@H](c1ccccc1)c1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)o1 303223705 VUVACUTWJDZZOE-RTBURBONSA-N 460.584 5.704 30 20 JKED N#CCCN(CC1CC1)Cn1nc(-c2ccc(Br)o2)n(Cc2ccccc2)c1=S 303232685 WBAWDFDMEZOVCO-UHFFFAOYSA-N 472.412 5.068 30 20 JKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)Nc1ccc(OC(F)F)cc1OC(F)F 409795666 XSKCDQGZOGHXIR-UHFFFAOYSA-N 482.377 6.089 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)C[C@@H](C)O1 410366733 RAGRGSJSIOJNIP-ZRZAMGCNSA-N 498.627 5.263 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccc(C)c2)nnc1-c1ccc(Cl)cc1Cl 499199439 ZFEPYMMTFCSBHI-UHFFFAOYSA-N 461.418 5.497 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)cs1 501429029 WSQQEYKSTXIYGE-UHFFFAOYSA-N 485.634 6.641 30 20 JKED C[C@H](Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 504412349 XDDPORKSFOKBRZ-SFHVURJKSA-N 472.976 5.173 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)cc1 505618852 HAFBUPQFCUTRIO-UHFFFAOYSA-N 473.485 5.119 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 508163830 QGVQFPZVRBCENY-UHFFFAOYSA-N 496.430 5.568 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 508221519 AZCXVEFAIAMHHD-UHFFFAOYSA-N 453.571 5.113 30 20 JKED N#Cc1c(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)sc2c1CCCCCC2 508958263 IZYLTZDTFUEXHH-UHFFFAOYSA-N 473.436 5.728 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cccc(OCc2ccccc2C#N)c1 508963404 BSIPKPZOMYOENI-UHFFFAOYSA-N 468.532 5.371 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1 509221890 CMFRKKFTADZIDO-DEOSSOPVSA-N 454.555 5.699 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1)[C@H](C)c1ccc(C#N)cc1 509603201 KOPWMQBLMJFKDR-HXUWFJFHSA-N 461.587 5.199 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510663141 NHQAVZUZDJSYAW-UHFFFAOYSA-N 469.328 5.760 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1C 510763301 JJUACKRLUNSHMX-UHFFFAOYSA-N 471.483 5.274 30 20 JKED CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 513677633 ZVTCBIFPMMYLAX-CQSZACIVSA-N 480.343 5.418 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc(OCc2ccccn2)c1 515441879 YRSVBABLSGIONI-LJQANCHMSA-N 453.498 5.195 30 20 JKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc2ccccc12 516286029 XGGGKKVFVRXGCG-GOSISDBHSA-N 453.498 5.008 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn4c(-c5ccccc5)ccnc34)n2)cc1 516714164 RNWKEVAESWGYBV-IBGZPJMESA-N 451.511 5.018 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4cccc(OCCCC#N)c4)cc3C2=O)c1 517102144 SVLUDFNLSJAVIC-UHFFFAOYSA-N 453.498 5.039 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 518249686 XEFWBYPIJHBDDU-CJAUYULYSA-N 489.666 5.865 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1OC 518801815 JPMPAUNSZCXLOU-GOSISDBHSA-N 489.597 5.187 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3n[nH]c(-c4ccccc4)c3Br)s2)cc1 518892765 NNMYMGVVTOLNJN-UHFFFAOYSA-N 464.348 5.010 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Br 519426599 VDRBQNFLLYBRSK-ZDUSSCGKSA-N 453.789 5.762 30 20 JKED C=CCN(C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 520195827 NKZQCCOECSVASD-SFHVURJKSA-N 488.571 5.066 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1[N+](=O)[O-] 520454324 BEGPYNALYJBXHR-UHFFFAOYSA-N 498.499 5.129 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2Cc3ccccc3-c3ccccc3C2)cc1 523900121 FMMFBLWABLASEC-UHFFFAOYSA-N 459.549 6.546 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1 524480818 UCXZKQKMFNHCSD-QFIPXVFZSA-N 496.032 5.048 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 588264158 NHRVNYNVUBEGOA-UHFFFAOYSA-N 450.560 5.145 30 20 JKED C[C@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)N(CCC#N)c1ccc(F)cc1 598880467 GTSWAQCSWJPQKT-ZDUSSCGKSA-N 495.363 5.522 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccc5ccccc45)C3)cn2)c1 603623329 HQLVKWWRZOTPRH-JOCHJYFZSA-N 476.536 5.390 30 20 JKED CCCC(=O)Nc1cccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 603817915 QSXXJTLTDOZYLX-UHFFFAOYSA-N 456.546 5.392 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 603822171 LOYJMQDMGVEGAI-QZTJIDSGSA-N 499.455 6.363 30 20 JKED N#Cc1c(CCCNC(=O)c2ccc(SCc3ccccc3)cc2)nn(-c2ccc(F)cc2)c1N 603875692 FLTAVVXXGQOCLQ-UHFFFAOYSA-N 485.588 5.120 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)n2)ccc1F 604118130 IJAXHIZEBLURMA-UHFFFAOYSA-N 470.504 5.401 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604137974 DVCAJCSLAPVCNP-AFMDSPMNSA-N 470.573 5.711 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)c3ccccc3)n2)cc1 608931220 OTNUNHCXPFHBJX-MZYLBHOOSA-N 456.571 5.094 30 20 JKED CC[C@H](c1ccccc1)c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 609018717 NEXHFKFHXZUQML-MRXNPFEDSA-N 452.605 5.544 30 20 JKED CC(C)(C)OC(=O)c1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1 609125455 QGJFAFIHJRISNL-UHFFFAOYSA-N 471.542 5.075 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1cccc(C)c1 609371056 WOJKOAUAJIHZTN-GOSISDBHSA-N 463.632 5.565 30 20 JKED COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609386981 BUSUPPLLSKZCEM-LBPRGKRZSA-N 468.457 5.067 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 609438832 WLRNRLIMXDTALK-BTYIYWSLSA-N 486.435 5.439 30 20 JKED COc1cc(-c2nnc(S[C@H](C#N)Cc3ccccc3)n2C2CCCCC2)cc(OC)c1OC 611012426 RDYUQXMCMXYCBF-NRFANRHFSA-N 478.618 5.703 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c(C)c2c1 611871806 FJUNSDNZZOKBAR-DEOSSOPVSA-N 470.956 6.824 30 20 JKED C=CCn1c(SCC(=O)NCc2cc3c(s2)CCCC3)nnc1-c1ccc(Cl)cc1 612640450 UWCJSJDKDGKOLH-UHFFFAOYSA-N 459.040 5.133 30 20 JKED O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618554677 ATTPUVNQOVFXDC-XJKCOSOUSA-N 489.863 5.388 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 619321967 LGQSEFADTZJQKS-HZPDHXFCSA-N 477.449 5.532 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3Cl)nc3ccccc3c2=O)cc1 619561858 BCUSRDXACSCPMK-UHFFFAOYSA-N 481.364 5.295 30 20 JKED Cc1csc(N(CC(F)(F)F)C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)n1 620330761 KJUVNZZUYMFPTG-UHFFFAOYSA-N 496.351 5.543 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc(-c2ccccc2)cs1 642281579 LBZSNXSZNJYQEA-MRXNPFEDSA-N 463.971 6.267 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281779 JKEWSUGEQLWAAP-MRXNPFEDSA-N 456.354 5.734 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 726322447 UYJZGOWCKWKGHE-GQOXECLESA-N 456.011 5.505 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 726399792 OOYMJBFDNHHKCW-HNAYVOBHSA-N 479.524 5.091 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2C2CCCC2)cc1Cl 726407551 SPLUSIDCJGDWCE-FQEVSTJZSA-N 497.964 5.023 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(OC)c2)cc1 726570564 GHTNDKCGCREBOJ-UHFFFAOYSA-O 464.998 5.784 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727708133 REJAUPCKXCKVRS-UHFFFAOYSA-N 456.477 5.074 30 20 JKED COc1ccc(N2CCC(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)cc1 728122773 NSSCUGCYZKFEFZ-UHFFFAOYSA-N 490.991 5.590 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 728420644 HKAVHZXCZSMPQH-DEOSSOPVSA-N 497.555 5.339 30 20 JKED COc1cc(/C=C2\CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cc(OC)c1O 728438556 HFVBYHCPMAVBFR-NTEUORMPSA-N 472.360 5.508 30 20 JKED O=C1/C(=C/c2cnc(N3CCCC3)nc2)CCc2nc(-c3ccc(Br)cc3)sc21 728438799 OVXNAPGFRHQBLA-LFIBNONCSA-N 467.392 5.175 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C#N)cc2F)cc1 729818735 FVIOOEJJRPFUKU-DEOSSOPVSA-N 497.555 5.038 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c(C)c1 730443532 FTTIODBLRITRJA-QHCPKHFHSA-N 494.592 5.250 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)cc1F 730445249 VOJOWUBHIDJFBJ-QFIPXVFZSA-N 498.555 5.081 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(C[C@@H]2CCCO2)C1=O 730537419 QULYDQNWNJBJHI-CVDCTZTESA-N 499.608 5.062 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(-c2c(F)cccc2F)cs1 730695419 SNSBLBQHRACDEX-GFCCVEGCSA-N 459.930 6.160 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)c(C)c1 730713633 UHLXOWMRBGAIFN-PXNSSMCTSA-N 479.631 5.185 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)cc2F)c1 730899337 CMIUYOQTOBZUTC-OAQYLSRUSA-N 473.426 5.150 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](COc2ccccc2)c2ccccc2)cc1 730914990 DCICKGLZGOGDFY-NSOVKSMOSA-N 475.548 5.217 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 730942289 LMXJPFFQSFCLJV-UQBPGWFLSA-N 480.593 5.956 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 731066631 DMYGSGZDYFCANS-HNNXBMFYSA-N 455.536 5.082 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 732638438 WCXXDPMRLUWQGT-GOSISDBHSA-N 492.959 5.230 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743450228 YRVBJIKEQLPMHL-AWEZNQCLSA-N 460.342 5.477 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 746698260 YIVDVUUTVBKINO-FQEVSTJZSA-N 495.979 5.395 30 20 JKED N#CC1(c2ccccc2)C/C(=C\c2ccc([N+](=O)[O-])c(O)c2)C(=O)/C(=C/c2ccc([N+](=O)[O-])c(O)c2)C1 748147914 KTRDPBSKMDADBU-ROUMAOROSA-N 497.463 5.206 30 20 JKED C=CCN(C(=O)COC(=O)c1ccc(C(C)=O)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 792170765 GEZSOMHDAHORMQ-UHFFFAOYSA-N 495.409 5.757 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(CC(F)(F)F)C1=O 799212296 XBAHYOUIUXGYFE-QGZVFWFLSA-N 499.942 5.488 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C(C)C)cc1 799216546 WJFCTCVBXQPMPL-HXUWFJFHSA-N 473.520 5.422 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1Cl 799219423 QSRPSNMGANEWTD-CQSZACIVSA-N 494.297 5.655 30 20 JKED CC(=Nn1c(S)nnc1COc1c(Cl)cccc1Cl)c1cnn(-c2ccccc2)c1C 818269934 QKACSTWVLKOPDA-UHFFFAOYSA-N 473.389 5.219 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2cccs2)c1 837348901 STGXWRVIQRKFRA-JOCHJYFZSA-N 493.610 5.120 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837362466 ZLWNNQMIEXFKRX-IVZQSRNASA-N 496.539 5.090 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2Cl)cn1 837711527 KFPXJYKRZRUCAU-FQEVSTJZSA-N 498.967 5.043 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C2CC2)C1=O)Nc1ccccc1Br 916209371 KIKCUEGTKXZGLX-QGZVFWFLSA-N 478.799 5.225 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C[C@@H]2CCCO2)cc1 916213130 ZOLIWNNRIUETHS-FXAWDEMLSA-N 491.535 5.153 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CC(C)C)C1=O 916217419 MVQQHNILFOGCPX-LJQANCHMSA-N 479.524 5.330 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(OCC#N)c2)ccc1Cl 916410462 AXNRLSBSSBVJIX-UHFFFAOYSA-N 499.951 5.015 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)c2cnn(C(C)C)c2n1 916883086 NOXPKYMLDQWHFW-NRFANRHFSA-N 471.948 5.602 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccc(SC(F)F)cc1 916888143 SBJQFIZOXDDKDE-KRWDZBQOSA-N 490.919 5.375 30 20 JKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916906665 UNZSIGLJPBAAIG-UZLBHIALSA-N 461.499 5.215 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(I)cc1 916906831 VRGCBLYLFPIBKO-SFHVURJKSA-N 482.277 5.045 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1cccc2ccccc12 916917628 IEBDTKQICFRXFW-FQEVSTJZSA-N 479.483 5.872 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916926082 ZOWLLRDNHZPRBP-HXUWFJFHSA-N 496.350 5.606 30 20 JKED COCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1OC 917560318 LWPSYNJCRQWFHN-DHZHZOJOSA-N 466.559 5.066 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C1CCN(C2CC2)CC1 917698025 WSBZMICAJHXXDJ-XMMPIXPASA-N 496.721 5.160 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917703804 PGBMRLFILLRIEW-JTSKRJEESA-N 474.611 5.211 30 20 JKED O=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918671636 GKWZCHDETPXBLY-GJZGRUSLSA-N 470.388 6.244 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F 920016855 KRSJPGFJKAVOAC-UHFFFAOYSA-N 498.852 5.559 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)n1 920143275 YHXVGIMCJPWKJB-FQEVSTJZSA-N 472.620 6.229 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 920328354 RKUGXRGFTUGTNQ-OOPCZODUSA-N 462.371 5.247 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3c(C)noc3C)C2=O)c1 920357683 ZIAYCTXJUVNAOX-QFIPXVFZSA-N 497.020 5.722 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)N[C@@H]2CCCC[C@H]2C)cs1 920364945 KWNHNJZHPBNMHV-FZKQIMNGSA-N 483.585 5.223 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(OCc2ccccc2C#N)c1 920636337 VYSDIIXOPPEBGN-HXUWFJFHSA-N 456.542 5.753 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2CSc2ccccc2F)n1 921216015 IEAZNFFJXIVKMO-MRXNPFEDSA-N 480.542 5.662 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1786679294 ZGIIRJRSXUPPSW-UHFFFAOYSA-N 466.006 5.555 30 20 JKED Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)c1 1787880797 JPPPMGCTMBYQMH-UHFFFAOYSA-N 488.588 5.394 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc5sc(N)nc5c4)cc3)CCC2)cc1 1788073409 IKKOBZMBKZFYHU-UHFFFAOYSA-N 495.608 5.131 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3noc4ccccc34)cc2)CCC1 1788172532 TVQWGJYLKKYUAK-OUKQBFOZSA-N 485.565 5.005 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cnn4c(-c5ccsc5)ccnc34)cc2)CCC1 1788394694 NEDGAYJGTMCCTF-UHFFFAOYSA-N 497.624 5.399 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@]3(F)CCCCC3(F)F)CCC2)cc1 1788650688 IYDSIQFNTUQUGI-NFPSEPLVSA-N 490.547 5.539 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nnsc4C4CC4)cc3)CCC2)c1 1788800491 GCYOBVADMCBWRQ-MRXNPFEDSA-N 471.586 5.104 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789168726 KCWLLAHVJJEVOG-NFBKMPQASA-N 481.637 5.146 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Br)cccc4c3)cc2)CCC1 1789328894 KXCLMRCISGTJBX-UHFFFAOYSA-N 462.347 5.264 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ncncc4c3)CCC2)cc1 1789508174 UCBJQWYMUBSFEK-UHFFFAOYSA-N 484.676 5.429 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)cc2)CCC1)C(F)(F)F 1789513195 RDNZFKKSMLILPA-IBGZPJMESA-N 495.542 5.029 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)o1 1789790913 ZSKGXGZVZWGMBX-UHFFFAOYSA-N 482.462 5.243 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccn4)[nH]n3)cc2)CCC1 1789811996 XIGICRKJFIQUJG-UHFFFAOYSA-N 499.691 5.271 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)cc5nn[nH]c45)cc3)CCC2)c1 1790092537 NXCITKNHBWVNLW-MRXNPFEDSA-N 498.974 5.300 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4c4ccccc4)CCC3)cc2)c(C#N)c1 1790475003 UBJRVSREZYJYGO-SVBPBHIXSA-N 479.580 5.047 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cccnc5)[nH]n4)CCC3)cc2)c(Cl)c1 1790767944 SUHARCBUZVYKLJ-UHFFFAOYSA-N 496.958 5.058 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)Cc4cc(Cl)cc(C(F)(F)F)c4)cc3)CCC2)CC1 1791662998 KHFIFCRHHOHHPN-UHFFFAOYSA-N 475.898 5.339 30 20 JKED C[C@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)nc3C(F)(F)F)CCC2)cc1 1791909626 RGWIPCFDXSAFOX-MRXNPFEDSA-N 496.489 5.192 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)cc1C#N 1792168772 GRIMEOBACXLTCA-NDEPHWFRSA-N 493.554 5.839 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3(F)CCCCC3)CCC2)cc1 1792337524 WUKUZRMDWBPGCX-WHLCRQNOSA-N 499.627 5.262 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@](C)(OC)c1cccc2ccccc12 1792518083 AKBIVHFGQBJPJT-MVPDCNEZSA-N 460.618 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c(Cl)cc1F)C2 1798591948 STIMSZFQCAYHLB-QDMKHBRRSA-N 485.825 5.486 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(ccc4ncccc43)s2)c1 1799123234 OBJZMXIJJBYBCV-WKCHPHFGSA-N 480.593 5.195 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)cc1 1799229762 OKSXJKAGCKHUDK-BJWYYQGGSA-N 493.888 5.130 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cccnc2)cc1 1800275531 PGCSHTJOOJXPPV-OOSCYNTBSA-N 473.693 5.052 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800810920 HIPAPIKHXVMJEB-QEIWAGNOSA-N 498.623 5.867 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1801698238 YETVQQUTHGDXNY-ACDBMABISA-N 465.544 5.278 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1802496390 QCTWNDCEMZKWFT-UNMCSNQZSA-N 473.539 5.412 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1802733018 BWFSRDTYQSNMKJ-ATIYNZHBSA-N 496.127 5.414 30 20 JKED Cc1c(Cl)ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)c1Cl 1803539394 TWSNJXIWDZPINX-GAZPGATBSA-N 470.400 5.495 30 20 JKED CC(C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(C)C)c(C#N)c2)cc1 1803841623 LGEZUSIWAPLIQV-OOSCYNTBSA-N 473.617 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1808710088 YCDLXXKHDSJZNL-RXVVDRJESA-N 477.527 5.314 30 20 JKED CC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1)c1ccccc1 1809016485 MZNOYZHWIZBRDX-JOCHJYFZSA-N 464.009 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1810502463 JDLAALVFDAOUDM-XCZPVHLTSA-N 498.671 5.801 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1811305009 SGZRYAWMJKZKQF-QNXIHNPRSA-N 498.652 5.823 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c1 1811424472 KTERMTWUGDVMRN-CYFREDJKSA-N 493.394 5.202 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811749239 PPLONWRTRCPOCU-GJZUVCINSA-N 495.067 5.923 30 20 JKED Cc1ccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cc(C#N)ccc4F)[C@H]3c3cccnc3)sc2c1 1812221353 JSCKIUSHRRZCOR-RLWLMLJZSA-N 498.583 5.249 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4c(s3)CCCC4)[C@H]2c2cccnc2)c1 1813865453 FHGJZIFNSDWEDV-WMEMMNBJSA-N 498.652 5.282 30 20 JKED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2c2cccnc2)CCC1 1814058883 UEJOPRZYCXQMJH-QRWLVFNGSA-N 491.806 5.055 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)[nH]n2)cc1 1814498186 UZMVZSUCAGZDIX-QHCPKHFHSA-N 498.974 5.032 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3sc4ccccc4c3Cl)n[nH]2)c1 1818606892 MUBARRCWJCQPKE-QGZVFWFLSA-N 478.965 5.097 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4scnc4c3)n[nH]2)c1 1819151228 ZZELAFKCULQERC-ZHRRBRCNSA-N 484.585 5.266 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[nH]n1 1819308768 AURRYGLWTLMWAG-OULNLLIASA-N 487.604 5.374 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)[nH]n1 1819554200 KSUMIIXTUQWFLG-GOSISDBHSA-N 465.520 5.065 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)[nH]n1 1819554376 WBWXOGFSDWWVQN-JOCHJYFZSA-N 474.609 5.202 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217448 JYPFRPBQHWOJOT-QGZVFWFLSA-N 483.981 5.015 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cccnc34)[nH]n2)c1Cl 1820219822 YUEIHTPZYBPPLI-OAQYLSRUSA-N 484.947 5.103 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)c1 1820483922 AVDTUJSGJSUVRL-MRXNPFEDSA-N 474.373 5.269 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)[nH]n2)cc1 1820553246 CBXORGPZYDCNNS-HXUWFJFHSA-N 485.441 5.059 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1Cl 1821027999 RYHXWFOJIANSGI-JOCHJYFZSA-N 491.979 5.342 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c1 1821041957 DZWBMKIEJVBDPU-QRQCRPRQSA-N 479.943 5.449 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Br)cs3)[nH]n2)c1 1821324528 ZUFCPEBYWRPRFU-GOSISDBHSA-N 498.406 5.034 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccsc4[nH]3)n[nH]2)c1Cl 1821436515 KVKXAOXLBKFEBG-GOSISDBHSA-N 478.965 5.097 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822021130 ZUPMAHAHQNEMNB-ADYITMSISA-N 468.718 5.279 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1)c1ccccc1 1822038182 AZUXNJBDTKVVBN-CPJSRVTESA-N 469.589 5.100 30 20 JKED Cc1cc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1F 1823686369 ZEQOIKODJVLKEM-AREMUKBSSA-N 479.571 5.011 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1824137327 GGJIQNNHKMVPSP-RUZDIDTESA-N 468.041 5.823 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)c1 1824235295 GQPDHQXRMZHERH-UZINWLIJSA-N 495.545 5.013 30 20 JKED CCOc1c(F)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1Cl 1824542046 RCJIDXDOYAACRW-RBBKRZOGSA-N 485.065 5.066 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC[C@H]3CNc4ccccc4C3)CC2)cc1 1826950313 DJVJGYQVDJRPIP-GIGWZHCTSA-N 498.671 5.051 30 20 JKED C[C@H](Sc1cccs1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc([C@@H](C)C#N)c3)sc2C1 1827697708 QIAKROZKIASTFI-RLFYNMQTSA-N 496.683 5.238 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)CC1 1828599338 JRJBOGOZQSQDGE-KBXCAEBGSA-N 495.508 5.215 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)ccc2Cl)CC1 1828830023 PHSLLMPKQHHNFY-QPPBQGQZSA-N 459.030 5.350 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)CC1 1828936868 SXPPBTRTUWDXHW-VHXCZSFDSA-N 466.691 5.486 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(cnn3C)c2)CC1)c1ccccc1 1829032220 KHBPUGSAKYNQRU-YTMVLYRLSA-N 496.655 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 1829065825 FFLRMDLAOPYFQR-HXUWFJFHSA-N 465.560 5.326 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829747339 FFCWNKRKCMZBTC-RUZDIDTESA-N 462.638 5.302 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)c1 1829955225 ZLZYNQKPGHDNGV-RUZDIDTESA-N 476.020 5.177 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830109116 CACLDVIEMLKMBI-VWLOTQADSA-N 480.008 5.157 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830169658 KRRQPBQALGTWJF-SANMLTNESA-N 494.701 5.536 30 20 JKED C[C@@H]1CCC[C@H]1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755905 OKAQIDWLABXLBB-NLSFWIRASA-N 475.555 5.247 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1830780092 HVQQQSOCKQCMOG-RUZDIDTESA-N 495.664 5.259 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Cc2ccncc2)CC1)c1ccccc1 1831102324 VKSXPAFZMQGMDB-OFQAEJFBSA-N 485.672 5.077 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831310085 DSWZFGFMYDTEHR-LJQANCHMSA-N 496.467 5.349 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1831367378 JDPYZOPWYTUXLE-YFNKSVMNSA-N 491.717 5.148 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1831445786 JDNMSOOYJUDTGK-HXUWFJFHSA-N 461.578 5.049 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1832550038 JRNPRCBFPXWGKA-AREMUKBSSA-N 494.035 5.086 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1832631990 JZGINDBSMVRRGV-AVRDEDQJSA-N 491.682 6.137 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)CC1 1835817083 QCIRQQHFZFZMLC-UHFFFAOYSA-N 467.698 5.063 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(F)c4Cl)CC3)CC2)c1 1838670905 NWOPMUOFADSUTM-GOSISDBHSA-N 497.998 5.032 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CC2(CCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 1845341391 XDZBYCIBTYLVCH-UHFFFAOYSA-N 492.366 5.133 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc4c(Cl)cccc4s2)C3)c(Cl)c1 1845488125 BWNQCUCTCFYGQA-UHFFFAOYSA-N 470.381 5.211 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1)c1ccc(Cl)cc1 11128043 XOYOGKDHLZIRLU-UHFFFAOYSA-O 451.877 5.403 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 11153124 JLCVRPHBSYLUBO-UHFFFAOYSA-O 459.513 5.615 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2cccs2)nc2cc(-c3ccccc3)sc2c1=O 18519627 RKDWVWXOLDTPBM-HNNXBMFYSA-N 467.641 5.170 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(CO)c1)c1ccc(Cl)cc1 20888065 SMVVSDPBNNIQOH-UHFFFAOYSA-O 465.904 5.190 30 20 JKED C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc2scc(-c3ccccc3)c2c1=O 20888608 JHCSLUYBCDPALF-UHFFFAOYSA-N 492.582 5.258 30 20 JKED CCCCCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2sc3c(c2c1=O)CCC3 21179183 KZRDHCLEKASKFZ-UHFFFAOYSA-N 498.699 5.483 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(OC)cc1 21182109 KBUGWKIGMXOHPS-AWEZNQCLSA-N 473.396 5.022 30 20 JKED Cc1ccc(-c2cc(/C(O)=N/c3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)c3ccccc3n2)o1 22297212 PJEOZSKYZHSHBL-IAGOWNOFSA-N 462.575 5.505 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 22729510 NEEZEHKWFMBVAM-UHFFFAOYSA-O 487.595 6.511 30 20 JKED C[C@@H]1CCC[C@H](n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)[C@@H]1C 22844449 SYOWQVQVHDHAKD-HMFYCAOWSA-N 492.670 5.740 30 20 JKED COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 23341369 ASBQZGPTBTYLMO-MRXNPFEDSA-N 453.593 5.026 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1[C@H]1COc2ccccc2O1 23517662 SIJWCVLPAOGWTQ-OXQOHEQNSA-N 485.009 5.366 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)nnc1-c1ccc(OC)cc1 23554351 DIKVCTZDDOOGEA-CABCVRRESA-N 493.658 5.416 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccc(F)cc1 24014871 ALFRHUHWQXKOIJ-CVEARBPZSA-N 450.539 5.374 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C#N)Cc2ccc(C)cc2)n1CCc1ccccc1 24699445 JILSNBQBXUBTMY-QHCPKHFHSA-N 454.599 5.732 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CC)c1ccc(Cl)cc1 32921573 RQBZAIQLBBGESE-KRWDZBQOSA-N 451.748 5.019 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 33018703 SNJVPDMVYCJRAM-UHFFFAOYSA-N 486.503 5.379 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Oc2cccnc2)c(C)c1 68767785 SMYPCWSPDZSWLY-UHFFFAOYSA-N 482.334 5.233 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(OC(F)F)c1 71934374 WEWQZVWPNMPURC-KRWDZBQOSA-N 451.473 5.816 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 107717083 RHUKCQAECXIZKT-UHFFFAOYSA-N 462.453 5.044 30 20 JKED Cc1nc(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)sc1SCC#N 108158960 FASVYDFYNNXGPK-LJQANCHMSA-N 460.049 6.182 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)CC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 108261772 LEXOZDJCTMZANY-OAHLLOKOSA-N 452.407 5.285 30 20 JKED COc1ccc(-c2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)cc1OC 115054708 SCDGYNDHUMSKAS-UHFFFAOYSA-N 473.579 6.102 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 255930423 IBOCFLCLQTYXAC-CYBMUJFWSA-N 497.835 6.123 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c3c(C)noc3n2)c(C)s1 302985365 WELJSBJMWXAKNZ-UHFFFAOYSA-N 455.590 5.509 30 20 JKED C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2C1 476179589 ZAMUFYHCNZGLFO-XLIXHQMESA-N 489.579 5.180 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)s2)cc1 476465365 VZVZRCCLZNSMKD-GOSISDBHSA-N 487.557 5.503 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c1 479867224 VOLHCDFJAQKXQE-WOJBJXKFSA-N 494.640 5.073 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ccco2)no1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 483770233 BXJAGFYIWQDRCB-UHFFFAOYSA-N 475.357 5.912 30 20 JKED N#C[C@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 497942884 DCXDDQQJGYTFBA-HXUWFJFHSA-N 471.003 5.670 30 20 JKED COc1cc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)ccc1OCc1cscn1 501159513 ITXYKKRUFGXNHA-UHFFFAOYSA-N 487.556 5.897 30 20 JKED COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 506308127 OTHKFSDOWVDQGF-CVDCTZTESA-N 474.992 5.652 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] 506540470 JYZOIKCYYIRHAD-UHFFFAOYSA-N 495.539 5.320 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 508130383 GNBZFTTUFOERKQ-UHFFFAOYSA-N 451.979 5.459 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 508248221 ITTYLNHADTVUBR-UHFFFAOYSA-N 467.529 5.483 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cn3cc(Br)ccc3n2)cc1 508275330 PIBCFQLOTZDDHR-UHFFFAOYSA-N 492.333 5.091 30 20 JKED COCCSc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 509539521 HTOANAWXJGREAD-HXUWFJFHSA-N 477.605 5.909 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 509907751 BBZWDLRANYSHJH-UHFFFAOYSA-N 484.600 5.080 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)s2)cs1 510236670 NEJZKMROAFZYGD-UHFFFAOYSA-N 498.684 5.560 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccccc1Cl 510601848 VFJBUPAWSAEZMS-HNNXBMFYSA-N 454.342 5.496 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 515043474 IAGMUGDTKKJBCW-UHFFFAOYSA-N 460.440 5.559 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1Cl 515340930 AHKBCIHDKMJANZ-UHFFFAOYSA-N 498.395 5.886 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(OCc4cscn4)c3)c2)c1 515449477 WPCMJVAOKGQLAJ-UHFFFAOYSA-N 454.511 5.098 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)c2)cc1 517949222 WEPZCOBTBWDWAZ-AREMUKBSSA-N 471.532 5.067 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(NC(=O)CC4CCCC4)CC3)cc2Cl)c1 518260353 YVDWYEXIFXMSRT-UHFFFAOYSA-N 495.023 5.483 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2c(F)cccc2F)cs1 518873548 AZBICTPVZVIKHL-MRXNPFEDSA-N 454.429 5.889 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520557955 WLTHKKTXHAFEMV-UHFFFAOYSA-N 484.533 6.275 30 20 JKED C[C@H](C#N)CSc1ccccc1NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 521726971 QEECRCBOEVEXMW-GFCCVEGCSA-N 452.893 5.198 30 20 JKED N#C[C@H](C(=O)c1ccc(OCC2CCCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 522182933 PUVYRNQSPDNZIK-HXUWFJFHSA-N 461.587 5.725 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2)CC2CCC2)cc1 523963219 CDHHQBHLEZTQGO-UHFFFAOYSA-N 469.541 5.127 30 20 JKED Cc1ccc(I)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 524413982 COBWGMXBQCOIFF-UHFFFAOYSA-N 468.294 5.303 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2-c2ccc(Cl)cc2)cc1 588739503 CUYWYCAOKHKMPQ-UHFFFAOYSA-N 487.987 5.076 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)c2cccs2)cc1 603706167 LFHMHRPIFCNNGY-VWLOTQADSA-N 496.592 5.775 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 603923990 UBDZOWONCXSAQM-GOSISDBHSA-N 459.571 5.409 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(C)C)cc1 604138747 HGKVYHHURVZPDC-DEOSSOPVSA-N 477.948 5.465 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cccc(C(F)(F)F)c1 608865700 ULTXZZPKCJOPSN-NRFANRHFSA-N 496.489 5.606 30 20 JKED COc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1OCc1ccc2ccccc2n1 609100566 VQYSUTUYEKWUEV-SANMLTNESA-N 478.552 5.302 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609110112 FYSBMJSQTAMOOO-UHFFFAOYSA-N 454.505 5.390 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)s1 609378543 UWCMMGFZDAQRIQ-UHFFFAOYSA-N 467.563 6.386 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)cc2)c1 609432670 JIZBYKMWGTWWNW-UHFFFAOYSA-N 461.930 5.587 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)cc1 615000039 XIVHYZDSCGSMSN-UHFFFAOYSA-N 466.541 5.024 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N[C@@H](CC(F)(F)F)c1ccccc1 615512225 HKPVNHPLTQBVFQ-INIZCTEOSA-N 452.370 5.919 30 20 JKED O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618466464 HSVNZOCPFWHZOS-ZWOKBUDYSA-N 497.426 5.494 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 620304252 NGXNOLTWVJZLMN-SFHVURJKSA-N 483.503 5.826 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 623596461 KQKHKWXXALYCKT-UHFFFAOYSA-N 465.750 5.197 30 20 JKED O=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623654947 ZWCPIRLABDYDMF-ZIAGYGMSSA-N 465.369 5.285 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nc2sc(C)c(C)c2c1=O 639386580 KLCCTQQXVSJYAK-HXUWFJFHSA-N 469.632 5.219 30 20 JKED O=C(Nc1ccc(Br)cc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642396640 SDTZYWOKIAZGFU-YUMQZZPRSA-N 451.180 5.619 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CCc2ccccc2)C1=O 726421313 MDDNONBGCWBWPW-HOSTVDGGSA-N 493.654 5.389 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CC(F)(F)F)C2=O)c1 726422584 XKIMDGRZZSWHFD-LBILAYFSSA-N 469.554 5.317 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2cccc(C)c2)c1 726573305 WYVGXVPARGJZAA-UHFFFAOYSA-O 459.594 6.158 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc([N+](=O)[O-])cc2Cl)cs1 727650177 RBGFNXIWJPDQGY-UHFFFAOYSA-N 450.307 5.489 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)cc1 727935043 LRNAGUNIAKFYOH-UHFFFAOYSA-N 466.335 5.252 30 20 JKED CC(=O)NCc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)sc2C)s1 728305634 FZGXBWTWSILOOY-UHFFFAOYSA-N 489.626 5.348 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cccnc2)c1Cl 728429919 LSUQVOUMNGYGNF-CXAGYDPISA-N 477.417 5.058 30 20 JKED CN(Cc1nccn1CC(F)(F)F)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 728521525 DZNCHRXLNWQCAM-NSCUHMNNSA-N 459.312 5.155 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(CCCCC#N)C1=O 728775759 BIQLCDTXOZUGIP-QFIPXVFZSA-N 499.036 5.620 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1scnc1C 729145396 KTRAFJIVBMAHDY-FQEVSTJZSA-N 482.606 5.314 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C(=O)OC)co2)[n+]2ccc(C(C)(C)C)cc2)cc1 729669287 VJWURBUUKRTLOD-UHFFFAOYSA-O 465.595 5.265 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)N[C@@H]2CCCC[C@H]2C)[n+]2ccc(Cc3ccccc3)cc2)c1 729669661 IXNFHRXDVPEKSW-AUSIDOKSSA-O 491.633 5.052 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)[n+]2cccc(C)c2)c1 730440443 PAIKGFCFMXTCNZ-UHFFFAOYSA-O 477.609 6.166 30 20 JKED C=CCN1C(=O)N[C@@H](c2cccc(F)c2F)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 730764921 ZGUBQGVWRCQWJY-IBGZPJMESA-N 451.395 5.149 30 20 JKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(C(F)(F)F)cc1 731078461 OBVDLMAZMNNDJQ-KFXIKWRMSA-N 462.493 5.542 30 20 JKED CN(Cc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)OC(C)(C)C 742520991 BQUQFRQWCUFCOC-UHFFFAOYSA-N 471.557 5.756 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O 747062577 XNRJRAKHXQFGGF-WDZFZDKYSA-N 483.567 5.363 30 20 JKED N#CCCn1cc(C(=O)COC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c2ccccc21 747258170 INXXZCOLMPCEHF-UHFFFAOYSA-N 498.391 5.954 30 20 JKED CC(=O)N1CCC[C@H]1C(=O)N1CCCSC1=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 750632478 YVWIPSBZIJPPBY-NRFANRHFSA-N 478.643 5.236 30 20 JKED CC(=Nn1c(C)nc2sc3c(c2c1=O)CCCCC3)c1sc2nc(C)nc(C)c2c1C 863966185 ZJYJUVSPSBIDJG-UHFFFAOYSA-N 451.621 5.238 30 20 JKED N#C[C@H](C(=O)c1cnc(S)n1-c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104839 VGAJRGVXXHNQFY-CYBMUJFWSA-N 462.453 5.419 30 20 JKED O=C(O)Cc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 915105850 HEXJJXFHBGDHQT-TWGQIWQCSA-N 456.248 5.141 30 20 JKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 915774532 BVLLDXBSEWLPDB-JWQCQUIFSA-N 457.549 5.713 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnnc2SCc2ccc(Cl)cc2)o1 915956587 WEOBKOZCDKBFAS-UHFFFAOYSA-N 474.977 5.860 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1F 916212377 MBZMQLFLMCPHIS-FQEVSTJZSA-N 468.941 5.035 30 20 JKED CCc1ccc(-c2nn(-c3ccccc3C)cc2C=Nn2c(S)nnc2[C@@H]2CCCO2)cc1 916366187 CFSGDBRILBOTDE-QFIPXVFZSA-N 458.591 5.024 30 20 JKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4c(C)oc(-n5cccc5)c4C#N)cc3s2)s1 916728291 ZWZFUFQEHGCYAB-UHFFFAOYSA-N 487.566 5.735 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916922629 HWDZGKHVQNGYBL-JOCHJYFZSA-N 454.482 5.372 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 916941800 CVSOCYGHMZEVFH-HNNXBMFYSA-N 461.326 5.346 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1 916946278 PGQMUFGOSKVDJT-GOSISDBHSA-N 474.369 5.785 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)cc1 916949960 QVVDXFRZFPZFEK-LAUBAEHRSA-N 469.570 5.470 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2c(C)c(C)sc2n1 917046148 GHYGRGVVHYRDGO-ZDUSSCGKSA-N 459.021 5.848 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1CSc1nc(C)cs1 917504946 HVNRAHLGEZBEHM-SFHVURJKSA-N 481.599 5.071 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NN(Cc2ccccc2)Cc2ccccc2)cs1 917542971 ARFRPIUQANVUMN-UHFFFAOYSA-N 458.562 6.003 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)c(C)c2)n1 917659610 DTUGJWWRTRXDHA-QHCPKHFHSA-N 476.577 5.306 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(CC(F)(F)F)C(C)C)ccc1Cl 917672082 HLLBRWHURKCXGD-UHFFFAOYSA-N 492.922 5.273 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1F 917674935 AHBDWUXUORXEKI-LJQANCHMSA-N 457.527 5.187 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c1 917677546 ULLDBEJZNQXDLO-KMDXXIMOSA-N 494.636 5.030 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cn1c(C)c(Br)c2ccccc21 918487525 OFEIMHSEFCUNBE-HNNXBMFYSA-N 488.769 5.030 30 20 JKED C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)c1ccc(C#N)cc1 919812090 DWLSRXUXPXLSDH-HNNXBMFYSA-N 457.331 5.422 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Br)cc3Cl)n2)cc1 920143225 UVVVDDRDCVCUKY-HNNXBMFYSA-N 472.751 5.353 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(C[C@@H]2CCCO[C@@H]2c2ccccc2)C1=O 920354036 YGRBKNHEXFWUEC-UMXIMWEHSA-N 479.646 5.046 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2cc(C)on2)C1=O 920354186 ZZTNVUJTQVBYSZ-OAQYLSRUSA-N 498.992 5.114 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1c(C)noc1C 920354428 CNUDYARROIAATO-QFIPXVFZSA-N 480.565 5.153 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 920888046 JSYKEAWLOFZNAJ-HXUWFJFHSA-N 457.599 5.178 30 20 JKED C[C@@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 920907499 GJSVVJCVSDRADB-CQSZACIVSA-N 474.395 5.189 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(F)c1 920986320 YWTRLLMTNUFSNZ-SFHVURJKSA-N 494.361 5.142 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 921133259 VOYQMNKNAWHLGQ-GFCCVEGCSA-N 483.974 6.109 30 20 JKED COc1cc(C(=O)/C=C\c2cc(Br)c3c(c2)OCCCO3)ccc1OC(F)F 921261582 MEMIWXBASUFEKI-HYXAFXHYSA-N 455.251 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3oc3ccccc34)C2)C1 1782588737 NGHIQRZLVSQCKR-NDEPHWFRSA-N 460.574 5.022 30 20 JKED COc1ccc2c(CC(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)c[nH]c2c1 1786170714 GMZLXWSCMJTALD-UHFFFAOYSA-N 496.542 5.178 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1 1786395085 PPCKZHCWCLNEGW-QHCPKHFHSA-N 491.613 5.234 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cscc3C)CCC2)cc1 1786546047 AOLGFHMEVVASDO-NRFANRHFSA-N 483.634 5.274 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCC(F)(F)F)cc4Cl)CCC3)cc2)CC1 1787882045 FBDODVDMKAHRHX-UHFFFAOYSA-N 491.897 5.333 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3cccc(C)c3)cc2)CCC1 1788358427 HVPGPEDCALCLEN-UHFFFAOYSA-N 497.595 5.314 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3csc4c3CCCO4)cc2)CCC1 1788397068 XSOXDAQDNZQLAU-ZHACJKMWSA-N 492.622 5.321 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(Br)ccc4n3)cc2)CCC1 1789328389 FJFFXGMBLLHWET-INIZCTEOSA-N 481.394 5.057 30 20 JKED Cc1nc2sccn2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789378699 RETBCXRSPKENIV-KRWDZBQOSA-N 483.597 5.393 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CNc4ccccc4O3)cc2)CCC1 1789472817 SBRPBZXDGZGYBE-DHIUTWEWSA-N 459.590 5.152 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cc(F)ccn3)CCC2)cc1 1789507696 MAOZPDIGHOQDAJ-UHFFFAOYSA-N 479.672 5.339 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCCN(C)C(=O)OC(C)(C)C)CCC2)cc1 1789628210 PEAHVKWGTKAJKW-UHFFFAOYSA-N 485.669 5.760 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cnc3OCC)cc2)CCC1 1789840161 JQWKFZIDMSCACH-UHFFFAOYSA-N 453.970 5.075 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3scnc3C)CCC2)cc1 1790519956 PAKHDKOKVYCIMS-FQEVSTJZSA-N 498.649 5.059 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1790567758 PHFPFTKOMCNOFT-INIZCTEOSA-N 466.969 5.370 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)c(O)c(Cl)c4)cc3)CCC2)c1 1790776994 DZYCCMHXDARZAC-INIZCTEOSA-N 489.959 5.440 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)cc2)CCC1 1791146092 BHEDVHXYBDHRHF-RTBURBONSA-N 486.534 5.067 30 20 JKED Cc1cncc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792123047 HSKWBFMQULDXKM-OAQYLSRUSA-N 466.585 5.398 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4CCCCO4)CCC3)cc2)cc1C#N 1792169364 HHFYXDQJGAIGPD-DEOSSOPVSA-N 475.589 5.052 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1792171029 GGUMTXJGEMLASK-UHFFFAOYSA-N 478.486 5.575 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1798335819 TWUXAALIXFTDPO-FLQYYVGBSA-N 480.052 5.648 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1Br)C2 1798339324 QNPRKYOSBUMPIX-YVSFHVDLSA-N 465.819 5.123 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C2 1798420852 ZAMSQOYXWIHLRW-REPLKXPHSA-N 465.497 5.296 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ncccc12 1799154632 OTUPYVWHQXQBBS-NUNAXRQHSA-N 482.628 5.541 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sc4ccccc4c2Cl)C3)cc1 1800544092 KMEUGAZPXRFEMF-REPLKXPHSA-N 463.990 5.186 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)c1 1800675648 CKHHFLGOGCSMAT-ZHHJKBAOSA-N 495.505 5.060 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1803077974 OFRNOVAQXVOJKX-NAKRPHOHSA-N 482.628 5.473 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)COc2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1803422175 DRIDLTBCXMDNGZ-AHWVRZQESA-N 477.649 5.084 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C#N)cc3)C2)CC1)c1ccccc1 1804942997 RUJBPILUKWANQV-NEKDWFFYSA-N 471.645 5.162 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)C1 1805450667 QFPCPYHNCCBUSH-UHFFFAOYSA-N 461.606 5.263 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC2)C1 1805457654 LATNLTOOFUAQNT-UHFFFAOYSA-N 488.713 5.668 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808158450 IJIBHJAFHUQMPH-UXSWERMXSA-N 464.997 5.057 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1808877347 VCOAFVTUOJWFJU-ZCYQVOJMSA-N 453.671 5.686 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c4cccc(Cl)c34)[C@@H]2c2cccnc2)c1 1810073130 DGHHWQKQZBNYGM-FNZWTVRRSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1810181597 JBRUUSUQWVWYML-MBEZDYHHSA-N 488.607 5.109 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1)c1ccccc1 1810448919 ZXWISENAJDCHLG-FULLSBAXSA-N 491.591 5.345 30 20 JKED CC1(C)CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#Cc4ccccc4)cc3)[C@H]2c2cccnc2)C1 1811251399 JUPRDWOYDAGLLY-XRKRLSELSA-N 491.635 5.237 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)s1 1811361498 YHMPNMPFWVQDIL-WIOPSUGQSA-N 486.641 5.140 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)[C@H]2c2cccnc2)c1 1811944002 JTBQPDAZKKHMMR-FNZWTVRRSA-N 497.986 5.030 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[C@H]1c1cccnc1)c1ccccc1 1812709435 YEDDTRVTADHBKP-XAAPFDIMSA-N 483.656 5.111 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1813048681 QQWRYLXBBWCGHW-KOSHJBKYSA-N 466.006 5.073 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(C)s2)[C@H]1c1cccnc1 1813366778 MQVGRILINUVCPQ-REMRKPAUSA-N 451.636 5.163 30 20 JKED Cc1c(Cl)ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1Cl 1813768601 PWULWLUQXUDBDE-HYBUGGRVSA-N 493.394 5.202 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813954045 TVXWZJGTZIXNPW-YTMVLYRLSA-N 483.612 5.051 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813972464 FGZGTIQGYZQHIL-KUHUBIRLSA-N 486.321 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2cccc(Cl)c2)n[nH]1 1814665866 DMUNHEACMHFWGW-FQEVSTJZSA-N 458.990 5.127 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1815219074 FGXXBGABPHTJFU-CJFMBICVSA-N 474.605 5.087 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCOc3ccc(Cl)cc3)n[nH]2)c1 1815684402 ONWIIFLJSWWOEU-HSZRJFAPSA-N 491.979 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)noc2C)n[nH]1 1816335683 HOELNKUJBUKEEF-IRLDBZIGSA-N 473.577 5.447 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4sc(C)nc4c3)sc2C1 1818444951 TVSZDFMRDRQNCH-SJORKVTESA-N 466.632 5.055 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)cc2c1 1818566371 ZYLNXIPSAPGABM-HSZRJFAPSA-N 486.963 5.344 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CC(F)(F)F)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821151548 PEQQSENKADHGMC-QFIPXVFZSA-N 480.490 5.068 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)[nH]n1 1821921428 PULJPVUBWVTVEJ-VBKZILBWSA-N 484.398 5.172 30 20 JKED C[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)CC1 1822943058 KDGVFAPILIPCLA-QLVMHMETSA-N 453.974 5.067 30 20 JKED COc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)[nH]c2c1 1823215514 TZGCHHDXQZQYKS-GKVSMKOHSA-N 496.571 5.146 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)[nH]n2)cc1C#N 1823291458 SLFBJBYDFWQYSF-TZIWHRDSSA-N 499.562 5.200 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 1823686347 YIRLOZQIQTUNPW-DEOSSOPVSA-N 495.570 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Sc2ccccn2)CC1 1823755151 LVNUELULTKBYOP-RBBKRZOGSA-N 457.684 5.174 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1823886677 MPBDOKBJLSKLDZ-LJQANCHMSA-N 469.935 5.142 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1824144865 KMAQPZDZAIYKTM-JOCHJYFZSA-N 485.650 5.075 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 1824954539 HXFRVTVDSBVTFM-DEOSSOPVSA-N 454.680 5.037 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1824957619 PAEJOYVUPDNWTA-RUZDIDTESA-N 477.674 5.210 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3nc(Cl)ccc3F)CC2)c1 1825365428 KTTZYPMRLJLXRN-VGOFRKELSA-N 482.987 5.048 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)CC1)c1ccccc1 1826442825 JVJCHPJLRXTOJW-IZLXSDGUSA-N 490.619 5.021 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827334345 MYELFLVIVKLLDN-RUZDIDTESA-N 477.674 5.210 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2F)CC1)c1cccs1 1827681828 SDKIITRZEFVORW-MHNQQFQPSA-N 489.012 5.213 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1828772337 BTYQSWAJMHQCRW-RDPSFJRHSA-N 495.714 5.353 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828828936 VBIHIQDGTSFPPK-SQHAQQRYSA-N 475.633 5.245 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829409860 BSRAQOQLWIKSSC-KXBFYZLASA-N 471.951 5.199 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)CC2)c1 1829454105 FQUVMXAPDYMBNG-LJQANCHMSA-N 476.429 5.474 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1 1829491679 DFWORLJJAWKSEP-LEAFIULHSA-N 471.645 5.750 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1Cl 1829690310 WDCOSGHITGJWES-GBXCKJPGSA-N 495.973 5.363 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)CC2)cc(C(F)(F)F)c1 1830021918 VQAJXVZJEYPXGM-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1831370949 RHZGHZVOLZLTDE-WXVAWEFUSA-N 484.644 5.471 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1831449448 ZTRMIIAVQMNQLD-IBGZPJMESA-N 467.626 5.321 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1831736885 XBWJCBPUKKQAAY-AZXRPADOSA-N 468.613 5.236 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1)c1ccc(O)cc1 1831925135 VORJQWVPHASMEB-SHQCIBLASA-N 476.617 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)CC2)c1 1832985172 ILPUIEHSBCJTHP-HEXNQTKTSA-N 469.576 5.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CCc3cc(C)cc(C)c3)CC2)CC1 1838374975 QTRXQPYODWDMFX-HHHXNRCGSA-N 466.666 5.003 30 20 JKED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)cc1 1841409522 ZWCSCGRLVZMKJU-UHFFFAOYSA-N 476.020 5.197 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)C1 1842583374 AMBCGEBEQQVXGB-HSZRJFAPSA-N 497.680 5.147 30 20 JKED Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cccc([C@H](C)C#N)c2)C3)c2ccccc12 1847156216 YKAVRRSZYDRZTO-JOCHJYFZSA-N 465.597 5.225 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1 3611532 MGMYRWOGDOAZJB-UHFFFAOYSA-N 468.962 5.176 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)ccc2c1=O 9658513 ZDVMLMAEOVCIHE-UHFFFAOYSA-N 454.964 5.274 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccc(OC(F)F)cc1 10172724 YDJGGKMYZYPHBF-UHFFFAOYSA-O 472.493 5.097 30 20 JKED COc1ccc(Cl)cc1NC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1cccc(C#N)c1 11102826 XUFIXPRSVZBIEA-DEOSSOPVSA-N 489.000 5.569 30 20 JKED Cc1ccc(-c2cc3nc(SC[C@@H](C#N)CCC#N)n(Cc4ccccc4)c(=O)c3s2)cc1 15236849 IXZHUCDNYDSWLK-HXUWFJFHSA-N 470.623 6.017 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccc(OCC)cc2)c1=S 16878943 KVPXMWINKAHIGT-QFIPXVFZSA-N 450.608 5.469 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c3ccccc3n2)cc1 22141374 MMTOSUDZJAPOMG-UHFFFAOYSA-N 467.550 5.621 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(OC)cc1 22213474 AZSXTKSEMRYXSX-CYBMUJFWSA-N 463.390 5.566 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 22735495 JENKGSKNOVKCMB-UHFFFAOYSA-O 493.696 6.261 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cccc(Br)c2)cc1 23604635 IVOGDKINGVSUQF-UHFFFAOYSA-O 471.444 5.685 30 20 JKED CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3C#N)n2)cc1 25739101 KYOLQJINXYLFHC-UHFFFAOYSA-N 466.566 5.280 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 32785664 KJCJHLOCVIRPTH-UXHICEINSA-N 460.647 5.292 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 71844558 BTLHHOYGRXFAEC-ZJSXRUAMSA-N 474.630 5.465 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1ccccc1F 217496880 DDKZZHIDUNFXPB-UHFFFAOYSA-N 450.511 5.316 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N(C)CCC)ccc1Cl 302985733 LMBKUCHLWNRGHS-UHFFFAOYSA-N 474.932 5.222 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)c1 303338806 LBKHZOMENAINIE-UHFFFAOYSA-N 479.496 5.325 30 20 JKED COc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2ccccc2)cc1Br 485281460 DNCJJGUFBKSHHU-QMHKHESXSA-N 465.347 5.002 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nc2sc3c(c2c1=O)CCC3 486220751 VXIBTDGCDWGILA-HNNXBMFYSA-N 481.643 5.091 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H](CN4CCCCCC4)C3)cc2F)c1 491547965 ALBVDTKRNPDXCY-HSZRJFAPSA-N 464.585 5.396 30 20 JKED Cc1ccc(C[C@@H](C#N)Sc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)cc1 494299290 VYZLVQQSVPXWBS-QFIPXVFZSA-N 483.588 5.390 30 20 JKED C=CCn1c(SCc2ccccc2Oc2cccnc2)nnc1[C@H]1COc2ccccc2O1 496591880 KDIGZEUDZDZXDA-HSZRJFAPSA-N 458.543 5.456 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 501150486 MZOHVUZKAGVWPK-UHFFFAOYSA-N 491.513 5.370 30 20 JKED COC(=O)c1cccc(Cc2cnc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)s2)c1 505198494 QZYNIAKMIMSWJF-UHFFFAOYSA-N 499.596 5.167 30 20 JKED N#Cc1cc(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)ccc1OCC(F)(F)F 506553272 WYOVARKQTRIAOZ-UHFFFAOYSA-N 467.875 5.023 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1 508239083 CTTMZMOSAVSGHC-UHFFFAOYSA-N 498.583 5.104 30 20 JKED COc1ccc2c(-c3ccccc3)c(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)oc2c1 508287806 WRZZMBVGDHBOAZ-UHFFFAOYSA-N 491.551 5.111 30 20 JKED Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 510080007 WGCJFVKODJHRQP-UHFFFAOYSA-N 456.477 6.224 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)Nc1ccccc1Cl)C(C)C 510296327 PTTAEHDJCKHNSI-OAQYLSRUSA-N 491.444 6.105 30 20 JKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NCC#Cc1cccc(C(F)(F)F)c1 510974653 GQWTUPZAPMSGDC-UHFFFAOYSA-N 468.422 5.558 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2Cc2ccccc2)cc1Cl 511501490 WLERWZYSZLUGMO-UPVQGACJSA-N 457.961 5.168 30 20 JKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513215471 YISIHQXCFSPNAC-SFHVURJKSA-N 457.364 5.300 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nc(-c2cc(C)oc2C)cs1 515459132 BVZFRUYPGYRWGD-UHFFFAOYSA-N 476.352 5.070 30 20 JKED C=CCN(C(=O)c1csc(-c2ccccc2F)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 518876644 RPVPVMMKMPYQSN-UHFFFAOYSA-N 499.614 5.309 30 20 JKED COc1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@H](C)C2CC2)cc1 519501482 FUKRNPMWQHOOLS-OAQYLSRUSA-N 469.585 6.173 30 20 JKED CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 520156520 NOLSZNALPXEYOO-UHFFFAOYSA-N 494.366 5.026 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 521262405 LCOJLXNZNYXPIB-KRWDZBQOSA-N 462.541 5.307 30 20 JKED Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521734485 POSZHCDOPHIGET-UHFFFAOYSA-N 452.546 5.752 30 20 JKED C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1I)c1ccc(C#N)cc1 522216640 LSSSDHVUIIFLNU-OYHNWAKOSA-N 499.327 5.452 30 20 JKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cs2)o1 524389405 DWYPGEADDKHXSM-UHFFFAOYSA-N 463.946 5.997 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 588993730 XNFGSDQDSXSELJ-UHFFFAOYSA-N 464.037 5.471 30 20 JKED COc1cc(CN(C)C(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC(F)F 598794535 ASKYDOIWFKKDLH-UHFFFAOYSA-N 468.525 5.733 30 20 JKED CCOC(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1 603613703 NVSALFJKBSZHKJ-QGZVFWFLSA-N 455.879 5.038 30 20 JKED COc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1Br 603690700 OFOOPSMKOPNWSR-CQSZACIVSA-N 467.323 5.399 30 20 JKED Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CCCC2)c1 603764787 NWIXPEVLVBJEQJ-UHFFFAOYSA-N 475.570 5.088 30 20 JKED N#C[C@@H](C(=O)c1ccc(I)cc1)c1nc(-c2ccc(Cl)cc2)cs1 603824481 RLIBVEVCIPQKRF-HNNXBMFYSA-N 464.715 5.558 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)cc2Cl)cc1 604089885 QDCSCNLRVVMENK-UHFFFAOYSA-N 496.901 5.272 30 20 JKED CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)s1 604205353 JIHFUEKNZDVBBB-ZDUSSCGKSA-N 475.979 5.063 30 20 JKED Cc1nc(-c2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2)oc1C 604439885 NLUNQCVVJXIWCV-UHFFFAOYSA-N 482.565 5.813 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(OC)cc1 609080888 WJKJFRVILVCIHC-HSZRJFAPSA-N 493.947 5.225 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 609081280 SVPJXYBCOMUXGI-UHFFFAOYSA-N 496.567 5.375 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)c2)cc1 609177096 JICOIOUUBYTECH-LJQANCHMSA-N 491.494 5.443 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(F)cc1Br 609388317 HIOBQPNRYUIOMU-ZDUSSCGKSA-N 453.402 5.712 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 613403804 JFQXVVVQRGOYND-FQEVSTJZSA-N 467.479 6.083 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618304128 TYRJEGKXROOBAF-CHWSQXEVSA-N 454.411 5.384 30 20 JKED O=C(Nc1cccc(OCc2cccc(F)c2)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542526 RTAOZNXRULDOGQ-HUUCEWRRSA-N 464.381 5.999 30 20 JKED O=C(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622378929 AWSLWNBMCZEBTI-UHFFFAOYSA-N 471.323 5.801 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281349 CAWLXWZSNIUTHH-FXAWDEMLSA-N 486.380 5.724 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@H](C)c1cccs1 726421432 MZWIUYWTFITQCT-SQWWRHCISA-N 467.538 5.343 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(CCc2ccccc2)Cc2ccncc2)c1=S 726963895 BYZKCBYVIHRCOH-UHFFFAOYSA-N 459.594 5.504 30 20 JKED CC(C)(C)OC(=O)N1CCC(OC(=O)c2ccc(NC(=O)c3ccccc3SCC#N)cc2)CC1 727647611 ZHXSYHCNIPXSJD-UHFFFAOYSA-N 495.601 5.111 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(Cl)c3)C2=O)cc1 728425915 QVWSQDHOLIQWIZ-HSZRJFAPSA-N 499.983 5.244 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(C3CCCCC3)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697600 SWCIZHIPHJSTGO-DECKYMOXSA-N 495.623 5.953 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776979 CXBFGRPAYIMBCX-QSTYEGGVSA-N 499.618 5.048 30 20 JKED C[C@@H](c1nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c(=S)n1-c1ccc(Cl)cc1)N(C)C 728903739 WJBVOTQPXBKVBC-SFHVURJKSA-N 497.068 5.052 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)cc1 729146629 VCBOSIVHWDOEML-HXUWFJFHSA-N 482.606 5.314 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)Cc2ccc(F)cc2Cl)c1=S 730454185 HLVDQLKPWGJOOW-UHFFFAOYSA-N 450.942 5.200 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)cc1F 730719105 XCMNBDGQDDYJIC-QHCPKHFHSA-N 488.544 5.436 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c3ccccc3n2)o1 731060129 CVNUEFABGMTFLK-KRWDZBQOSA-N 485.565 5.851 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 731076925 DNTPZKVPKWRRRL-ZTFGCOKTSA-N 473.392 5.129 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccc(Cl)c1 731306526 AGBYKIRDMIUXLD-JOCHJYFZSA-N 495.988 5.215 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731310649 MMGCBRNMPFGUNC-ORAYPTAESA-N 496.416 5.084 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc([C@@H](C)N(C)C)n(-c2ccc(Cl)cc2)c1=S 746033810 YVKBFXWIIUWNKT-GOSISDBHSA-N 469.058 5.419 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1S(C)(=O)=O 747061786 OGOUMVFQYAVZBH-VMPITWQZSA-N 451.327 5.562 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)cc1 747600229 NYWANQJXAMTOCW-HXUWFJFHSA-N 482.606 5.048 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 748988410 KCJIPJHESHVOHG-JOCHJYFZSA-N 491.389 5.563 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c3c(C)noc3n2)c(C)s1 813306760 CMEQANLTVSKLJI-UHFFFAOYSA-N 498.564 5.785 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)nc(O)c2C#N)cc1 824941081 IAHRXDNGFBBKQN-INIZCTEOSA-N 462.575 5.281 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 837302264 XIJGDUCBHRNQLL-SPLOXXLWSA-N 484.503 5.220 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccc3F)C2=O)cc1 837519202 MKDSNAONDJWXGJ-QHCPKHFHSA-N 475.545 5.189 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 837929612 CSYIZFSNHYQVBQ-WAIKUNEKSA-N 494.567 5.644 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)Cc2cccs2)c1 914690810 FVYJIPXVOLBVAN-JPYJTQIMSA-N 493.654 5.026 30 20 JKED CN(Cc1ccc(C#N)cc1)Cn1c(=S)oc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc21 914783369 ZOJICHCTAXHLKS-UHFFFAOYSA-N 499.017 5.379 30 20 JKED Cc1ccc(-c2nnc(COC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)o2)cc1 914796072 AKXGYRXBTAHMRR-UHFFFAOYSA-N 484.537 5.005 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915100020 KJGTXDQQYSVXNY-CTNGQTDRSA-N 479.989 5.262 30 20 JKED N#C[C@@H](C(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3)c1nc2ccccc2n1C(F)F 915106852 GTFWEJGBMZXANR-ZDUSSCGKSA-N 499.568 5.130 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 915592507 NMBGRZFERYYVCO-ZDUSSCGKSA-N 497.573 5.054 30 20 JKED N#CCSc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 915631313 AMMKKPSCOSSAAX-NRFANRHFSA-N 468.047 5.547 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)cc1OC 916068160 GAVLGPVGEJKPQN-FTUXVVSKSA-N 490.478 5.048 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccc(NC(C)=O)c2)c1 916137856 HCWCVMJABSYODX-OWBHPGMISA-N 467.525 5.411 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2ccccn2)cc1 916211973 INWUVKQIDVIKBZ-HXUWFJFHSA-N 499.423 5.857 30 20 JKED O=c1c(C=NNc2ccc(F)cc2F)c(Sc2nc3ccccc3s2)nc2ccccn12 916248208 RZKARGLXVAIJHH-UHFFFAOYSA-N 465.510 5.180 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(Br)ccc1O 916273362 YYQZQQDEMZATQK-UHFFFAOYSA-N 474.767 5.437 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 916904240 YWSQRKNKEQUACX-SANMLTNESA-N 493.607 6.248 30 20 JKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 916967313 SULRBYJYPDQRIW-XMMPIXPASA-N 484.552 5.295 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc2cc(Cl)ccc2s1 917045948 DNIJTDWPCWSGKX-CQSZACIVSA-N 476.772 6.721 30 20 JKED CSc1nc(O)c(C(=O)N[C@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)cc1C#N 917338770 KTVLFKMPHRFFNA-IBGZPJMESA-N 486.519 5.306 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C(=C\c1ccc(F)cc1)c1cccs1 917507264 SWBUOSCNHUDFAG-OVCORXIESA-N 464.518 5.141 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=S)Nc2ccc(C(C)C)cc2)cs1 917534436 YHMQRSQNCTYCCU-UHFFFAOYSA-N 451.621 5.580 30 20 JKED C[N+](C)=c1ccn(/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(-c3ccccc3)cc2)cc1 917613228 NFGCNHUUGMFVIA-UHFFFAOYSA-O 477.613 5.382 30 20 JKED CC(=O)Nc1ccc(-c2csc(=Nc3ccccc3C#N)n2Cc2cccc(C(=O)N(C)C)c2)cc1 917646874 BCTOPPHMVNWKID-UHFFFAOYSA-N 495.608 5.029 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc3ccccc23)n1 917653638 MTPDXEMTRGQDDN-XMMPIXPASA-N 481.581 5.099 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)c1 917669537 RSWDQABPGNPKTD-XMMPIXPASA-N 472.614 5.476 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)s2)cc1 917684530 MBPUZJLSGYYDPN-OAQYLSRUSA-N 483.590 5.365 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)Nc1ccccc1Br 917698828 HBORUEXYVBTIJW-NRFANRHFSA-N 494.414 5.725 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917703442 MMNGBHFQPBAZFK-FQEVSTJZSA-N 478.574 5.228 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC(F)(F)F 917707265 VQWQQINIRVEOLX-FQEVSTJZSA-N 482.487 5.234 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 917804244 NZDVWVPOPAOKEY-UHFFFAOYSA-N 473.920 5.232 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)CSc2nc(C)c(C)c(C)c2C#N)cs1 918994442 QVVVJGTUIYAVNW-UHFFFAOYSA-N 480.615 5.164 30 20 JKED N#CCSc1ccccc1C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 919873472 QYIDZIBHCHCWDV-UHFFFAOYSA-N 470.476 6.217 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c1 920354270 BRCNLJPTGLHZQU-JOCHJYFZSA-N 480.565 5.208 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cn5c(C(F)(F)F)cccc5n4)CCC3)cc2)C1 1785810553 ZLFMDLJXCGSAGC-UHFFFAOYSA-N 468.479 5.067 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CN3CCc4sccc4C3)CCC2)cc1 1786102324 GJROZZQZTVXAFY-UHFFFAOYSA-N 463.647 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)CCC1 1786273689 FYRVIOFJHWOKBK-HSZRJFAPSA-N 487.644 5.162 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CSC4CCCC4)cc3)CCC2)c1 1786349631 DBRCPXIQSWSDEH-LJQANCHMSA-N 461.631 5.737 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)cn1 1786838772 MUUNYMSVBHLACV-UHFFFAOYSA-N 475.709 5.508 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4)cc3)CCC2)c1 1787724523 VFVBAJZLGAUGMT-FQEVSTJZSA-N 453.542 5.140 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H]3C)cc2)CCC1 1789213283 XGFOWOGGVCFJNO-PRLRPILQSA-N 481.637 5.026 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1789467691 GVYPKFDIECFKKK-HXUWFJFHSA-N 452.558 5.001 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CS[C@@H]4CCCCO4)cc3)CCC2)c1 1789549248 FQMDVZOEIGPPHA-KBMIEXCESA-N 477.630 5.321 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4cc(Cl)ccn4)cc3)CCC2)c1 1789620744 CSQFEFMVENLXEJ-GOSISDBHSA-N 488.975 5.189 30 20 JKED COc1cc(CCC(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)ccc1OCc1ccccc1 1790354077 RPEGBDDRABRKLL-UHFFFAOYSA-N 497.595 5.255 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)cc1 1790691832 IYZDCWBJERVMHM-UHFFFAOYSA-N 452.558 5.146 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)cc1 1790761930 KIJREGZMGUQGND-ZEQRLZLVSA-N 483.543 5.257 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)cc1 1790930161 VYBUMPWTYQZNOA-UHFFFAOYSA-N 465.509 5.000 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)cc2)CCC1 1791033020 BIZOYNSBPZWLLF-DEOSSOPVSA-N 495.664 5.398 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)cc2)CCC1 1791520413 SQUNANWWBXWGFQ-PGRDOPGGSA-N 469.626 5.026 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)CCC2)cc1 1791586312 OOMAYQCZXVHPBK-UHFFFAOYSA-N 468.479 5.419 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cnccc45)CCC3)cc2)cc1C#N 1792168469 FDTFFABWMSRBGY-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C(=O)N(C)C)c4)cc3)CCC2)c1 1792197385 HLVZAGLQMMYIRM-FQEVSTJZSA-N 494.595 5.077 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC2CCC(c4ccnc5ccc(F)cc45)CC2)C3)C1 1792502949 WNKAVVQDMRIFHX-SHJGUWBNSA-N 489.635 5.642 30 20 JKED CCOc1c(F)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cc1Cl 1798420914 VHOHVUZSBPJCNN-ACDBMABISA-N 493.095 5.181 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)cc2F)C3)c1Cl 1799307302 WZLDHSYBXCWMNW-BTTYYORXSA-N 480.754 5.223 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2ccccc2)c1 1799553751 YQEAMHKRPYHTAY-OXCBMLQPSA-N 479.580 5.672 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800740702 YZQRYHUTHHPVIU-HUJKARHJSA-N 487.547 5.010 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1802498824 NUSYNAVOOUXPDF-UKILVPOCSA-N 467.730 5.131 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(Br)s2)c1 1802902409 YQDJIEDHMLNRGY-DRRINJHYSA-N 498.446 5.103 30 20 JKED CC(C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1803217662 JACVAIOBQPAFQO-LOAGWBBBSA-N 494.639 5.032 30 20 JKED CC[C@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1)c1ccccc1 1803672860 AYSXQVAREZIRRH-XQURSTJCSA-N 457.618 5.395 30 20 JKED Cc1ccc(S/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(C)C)c(C#N)c2)cc1 1803839212 LRKXTNCXTYNSKQ-DKXYMLQXSA-N 489.641 5.212 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)C1 1804859797 NWZPPTOQOYRIJW-UHFFFAOYSA-N 475.073 5.723 30 20 JKED CC(C)[C@H](C(=O)N1CCC2(CCCN(C(=O)CCc3cccc(C#N)c3)C2)CC1)c1ccccc1 1805324142 PJCXMTQCHQYDRQ-NDEPHWFRSA-N 471.645 5.162 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)C1 1805452240 WIDYOKZGQXLBEE-VXKWHMMOSA-N 456.577 5.068 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)s4)C3)CC2)cc(C(F)(F)F)c1 1808216374 GONIFMQOWRYLFV-UHFFFAOYSA-N 495.954 5.451 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)cc3)C2)CC1)c1ccc(O)cc1 1809264220 XCCKIGOXOBXRGU-XMMPIXPASA-N 493.047 5.017 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1)c1ccccc1 1810443202 FFEXOXPABNEUAM-RMTZWNOUSA-N 497.620 5.406 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1811695943 WOKITHDIUPAAFQ-AJTFRIOCSA-N 471.626 5.270 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1812673123 OTBRCMHSCZEFRT-KUHUBIRLSA-N 486.321 5.059 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@]2(C)CC=CCC2)[C@H]1c1cccnc1)c1ccccc1 1813579949 BPMDYJCXGQOJPU-UUROJUAVSA-N 469.629 5.031 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)[nH]n1 1814441918 UNALHKJYYKXYKY-INIZCTEOSA-N 451.493 5.055 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]n2)cc1 1814496945 YENOSCUBBWENQD-RUZDIDTESA-N 481.600 5.028 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)ccc2n1 1814738767 NDXXNMTYSKTPSH-AREMUKBSSA-N 492.583 5.077 30 20 JKED Cc1csc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)c1 1815380636 UBTWHGWCSDOYEH-FQEVSTJZSA-N 477.590 5.058 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)s1 1815855061 ONJXXIUGTQURAL-UZUQRXQVSA-N 475.618 5.345 30 20 JKED CC[C@H](C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccccc2C#N)[nH]n1)c1ccccc1 1816848711 IBXZTHPIDUSWKM-WQHXYCOISA-N 499.615 5.182 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817739389 RQEDVZKIZRHUDV-BKMJKUGQSA-N 483.616 5.854 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819029344 WJCJPMWWFVSESA-RDJZCZTQSA-N 454.621 5.760 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1819304960 AQOGFBWQPCDQGG-HTAPYJJXSA-N 465.985 5.619 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1819364220 SASPEZGUKWXBQD-PXNSSMCTSA-N 487.025 5.157 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)[nH]n1)c1ccccc1 1819518962 JLOSYFFRKHNTQD-KNQAVFIVSA-N 493.970 5.100 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819964448 KAZKJMQIDZMXHP-ZDUSSCGKSA-N 459.424 5.003 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)cc1 1819966332 UNPYEXINJTVJGE-INIZCTEOSA-N 474.373 5.269 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)cc1 1821028827 MQNMMLXPYYYVKH-QFIPXVFZSA-N 497.933 5.152 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)c(OC)c(C)c2)n[nH]1 1821229653 PSFDRIFNJMUIQQ-UNMCSNQZSA-N 450.583 5.109 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)n1cccc1 1821276261 HLTJCHZTRZWQII-FCHUYYIVSA-N 478.984 5.084 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2OC)n[nH]1 1821845657 RLSGQDXXNPGSGZ-FPOVZHCZSA-N 471.001 5.075 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)[nH]n1 1821919247 SULPWASXPUAFCS-NYHFZMIOSA-N 481.000 5.280 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)[nH]n1 1821923708 NNHIHYBUSKEIHG-YADARESESA-N 485.588 5.180 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)[nH]n2)cc1C#N 1823292940 WOHDCSJYTLCBTA-QHCPKHFHSA-N 497.555 5.434 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)[nH]n2)cc1C#N 1823295034 XJTNWCLTEVYFLI-ARNLJNQMSA-N 497.599 5.178 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)[nH]n3)c[nH]c2c1 1823568158 IBHWNZKWBOILJB-UKEJNIAMSA-N 478.556 5.090 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)cc1 1823668841 LFPWSYHYBIQOQW-HSZRJFAPSA-N 499.442 5.126 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1824508006 GYFMBCQHWSNLIG-IDISGSTGSA-N 478.608 5.317 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c(F)ccc(F)c2F)CC1 1824797461 WDFCQMVODNHFEU-CVDCTZTESA-N 462.556 5.035 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccco2)CC1)c1ccccc1 1825247859 PWZNCYIYDINPNM-RRPNLBNLSA-N 460.618 5.029 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)n1 1825382603 HDQITHQRPHUONZ-DEOSSOPVSA-N 478.662 5.004 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCCC3)CC2)cc(C(F)(F)F)c1 1826255862 KOOADAYAEVMMDM-JOCHJYFZSA-N 461.528 5.001 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1826690433 YTXIHUPQEITAHO-MUUNZHRXSA-N 480.612 5.439 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 1829071011 NWVVPYYDCGLUEV-XMMPIXPASA-N 452.639 5.237 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829353303 JCNZHZGXRYPCJS-OAQYLSRUSA-N 465.560 5.326 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)cc(OC)c2F)CC1 1829656053 ZFZWSJUZIMCBHN-JOCHJYFZSA-N 474.617 5.069 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)CC1 1830515158 DQPUFTNDOJTAGA-JOCHJYFZSA-N 493.873 5.529 30 20 JKED Cc1c(F)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720621 CLIVSQOTLNDMFH-XMMPIXPASA-N 467.972 5.206 30 20 JKED COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc(C(F)(F)F)c1 1830802524 FPCXXNUJPQRDHT-DEOSSOPVSA-N 499.533 5.133 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1831015717 XGJIOCRLKBKCNH-GOTSBHOMSA-N 483.056 5.298 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1831373461 PNGGGVGLHJIJAZ-BCQCSXDESA-N 466.666 5.022 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1831445301 BQCMVCUBUDHVMO-MLDBQTBOSA-N 450.614 5.424 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831776348 XZCZHLYDONIQFK-OAQYLSRUSA-N 487.666 5.299 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1831952391 CZEGSKBVZQIDEL-VWLOTQADSA-N 481.999 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1832627559 FXNIXCMJFZZEGF-UZUQRXQVSA-N 499.442 5.563 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)c1 1832631630 GGWFYKKJKRTBRG-DCFHFQCYSA-N 496.611 5.115 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)s3)CC2)c1 1832633781 DTCMGICIYOZRED-DYESRHJHSA-N 453.583 5.061 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC(F)(F)F)CC2)cc1C#N 1832703198 UZECHMFCVQBQCA-QFIPXVFZSA-N 493.570 5.311 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 1838373976 WSVFISHOZFLCPD-HXUWFJFHSA-N 479.448 5.374 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(CC#N)cc4)C3)ccc21 1845412488 OEEJKUVKHYYXKX-UHFFFAOYSA-N 476.580 5.011 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 11263025 KHACOLCQPYBJLW-UHFFFAOYSA-O 467.605 6.724 30 20 JKED Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1Cc1ccccc1 16768389 ZKUZVZNUHYRJKH-INIZCTEOSA-N 477.977 5.539 30 20 JKED C=CCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 21838311 XOXNFKRKXHCAQM-UHFFFAOYSA-N 466.506 5.065 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1 22175316 MHUFZPUWGFQIRH-QFIPXVFZSA-N 496.640 5.682 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(CO)c1)c1cc(F)ccc1F 22733045 GCUDOIZLQCIJSE-UHFFFAOYSA-O 468.332 5.102 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 23326745 JQLPWMBRSPXJDF-INIZCTEOSA-N 472.661 5.195 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1ccc(C(C)(C)C)cc1 24566702 ISEXWVPIUIORAD-UHFFFAOYSA-O 459.635 6.168 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1Cl 45698263 JYXGYTVSAIVEMZ-UHFFFAOYSA-N 460.268 5.047 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1nc2c(s1)CCCC2 105119293 FVESKMGWGKJXBR-UHFFFAOYSA-N 459.615 5.247 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)cc1 216152510 AVIMWBONMMSMOS-UHFFFAOYSA-N 478.272 5.102 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc2sccc2c1=O 253491473 MSTDLAYSLPOYIE-LBPRGKRZSA-N 472.592 5.026 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2cccc(C)c2)cc1 255935714 XLKFOAKVTOAMEV-SFHVURJKSA-N 469.570 5.242 30 20 JKED C=CCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nc2scc(-c3ccccc3)c2c1=O 255941016 HPLXZHUBHUXYNZ-UHFFFAOYSA-N 478.643 5.088 30 20 JKED Cc1occc1-c1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1-c1ccccc1 255941671 RJGAQDLYOOBRFJ-UHFFFAOYSA-N 467.554 5.679 30 20 JKED Cc1ccc(OCc2nc(CC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)cc1 302967831 RLVWQDYAFOUJLS-UHFFFAOYSA-N 459.493 5.036 30 20 JKED CN(C)CCOc1ccccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 476504240 BFPFHRNYGVZJHC-QHCPKHFHSA-N 462.981 5.258 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)CC1 485719071 FKCAFSVKHHAEOP-UHFFFAOYSA-N 474.467 5.607 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 494140014 JPPYRXNXMCYTOP-UHFFFAOYSA-N 473.330 5.434 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 499912126 DVBRPMNUUCRZCL-UHFFFAOYSA-N 453.523 5.948 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 501143210 NLAJXEZQWHMKSH-UHFFFAOYSA-N 492.963 6.035 30 20 JKED COc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c([N+](=O)[O-])cc1OC(F)F 501453796 WAUIJWHCZDIRRR-UHFFFAOYSA-N 483.427 5.102 30 20 JKED Cn1ccnc1SCc1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 501851493 CVICWCPUSWLDKZ-UHFFFAOYSA-N 454.555 5.415 30 20 JKED Cc1ccc(Br)cc1NC(=O)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 502038127 XNWPLRPRAKLIJB-UHFFFAOYSA-N 494.414 5.290 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 509722436 RZPKKZQAKCGPFW-QGZVFWFLSA-N 455.624 5.024 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(Cc1ccccc1)CC(C)(C)C 510211270 LBQLVMLFBOVPHO-UHFFFAOYSA-N 456.546 5.067 30 20 JKED CCc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 510856192 CZWYPVMFKCBJFR-UHFFFAOYSA-N 468.557 5.211 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 511484913 UJHOPMYSGSCCGB-LADGPHEKSA-N 459.977 5.838 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1Cl 512957503 QJWKJSLHXHORHF-AWEZNQCLSA-N 463.390 5.469 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 514036727 SYFWASCERLEXTC-UHFFFAOYSA-N 493.013 6.134 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 514736516 VILSIUAMHYXJIA-UHFFFAOYSA-N 473.731 5.079 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn4c(-c5ccccc5)ccnc34)n2)cc1 516714165 RNWKEVAESWGYBV-LJQANCHMSA-N 451.511 5.018 30 20 JKED CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC(Oc2cccc(C#N)c2)CC1 517134672 YFNAADPNESDHLU-MHZLTWQESA-N 455.558 5.180 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 517462050 ZKFDRHLKGXXIQX-MWTRTKDXSA-N 454.567 6.689 30 20 JKED COc1ccc(C)cc1C1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CCOCC1 517549730 IDVMQKUIJUGKEP-UHFFFAOYSA-N 456.586 5.292 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)n1 518670978 RCIWJEKVZGKUOM-HNNXBMFYSA-N 484.990 5.231 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)c2)cc1 518934577 MLAYYIKGAQTPNS-UHFFFAOYSA-N 471.557 5.699 30 20 JKED N#CCCn1cc(C(=O)NCC2CCC(c3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 519430590 WCHGJNUCVXRTBL-UHFFFAOYSA-N 457.534 5.076 30 20 JKED COCCc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)cc1 520855274 GRFWPJZUBKUJQD-UHFFFAOYSA-N 498.583 5.422 30 20 JKED C[C@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 521254481 UAEGRXPJTFWLHO-SECBINFHSA-N 454.317 5.161 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 521706582 ZGDCRXURFQDDBB-GOSISDBHSA-N 450.564 5.794 30 20 JKED COc1ccc2oc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c(C)c2c1 521812233 LKGOTRRFONKCKH-KRWDZBQOSA-N 469.497 5.230 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 557728938 ZRHSTTSDMKTQPS-RBUKOAKNSA-N 469.630 5.245 30 20 JKED COc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Cl)c(C#N)c2)cc1OC 585709530 SGALGUFGYDNDIQ-UHFFFAOYSA-N 481.961 5.212 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)n(-c2ccc(F)cc2)c1C 589528892 OQJQQGJDMYRNHA-UHFFFAOYSA-N 481.940 5.539 30 20 JKED N#Cc1ccc(OCC(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 592951225 ZOQNOHPZTQJRHR-FQEVSTJZSA-N 487.503 5.292 30 20 JKED Cn1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccccc2Cl)n1 595869217 FUSBSTNPJZZZES-CYBMUJFWSA-N 460.868 5.859 30 20 JKED C=CCN(C(=O)c1ccc(I)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458845 GWIGTMKWMDHTRP-UHFFFAOYSA-N 491.310 5.156 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cn2)c1 603623653 KYZAOSYOGHUTCL-UHFFFAOYSA-N 494.473 5.255 30 20 JKED C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc2ccccc2n1C(F)F 603650123 OSRIOZGEEHYDCK-ZDUSSCGKSA-N 452.490 5.233 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cn2)cc1 603690412 JHIWHRIQABGNDT-UHFFFAOYSA-N 481.478 5.114 30 20 JKED N#C[C@H](Cc1ccccc1)Sc1nccn1-c1ccc(C(=O)NCc2ccccc2F)cc1 603725839 FOTQMQDAODMRMQ-QHCPKHFHSA-N 456.546 5.168 30 20 JKED CC(C)CN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc(C#N)cc1 603755071 NIUNDNXAFDPHKF-UHFFFAOYSA-N 466.335 5.469 30 20 JKED Cc1nc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)sc1SCC#N 603775507 KYDYCRXWLUYDTE-SQFISAMPSA-N 458.568 5.948 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1Cl 604135433 MBSZYFFNRJYQCE-AREMUKBSSA-N 493.994 5.882 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1NS(C)(=O)=O 604459655 DBNWEQMKEDUZLT-IIBYNOLFSA-N 482.993 5.250 30 20 JKED CCc1c(C)sc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c1C#N 609032688 BEDDMNOZKGUTPX-UHFFFAOYSA-N 455.649 5.626 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 609059902 ORZXLIUTTKOIKH-UHFFFAOYSA-N 465.465 5.655 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccccc1OC(F)(F)F 609078215 GXRVELRHQIJTER-UHFFFAOYSA-N 469.463 6.008 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103902 HQSNZEYOLAMIRG-UHFFFAOYSA-N 454.505 5.260 30 20 JKED Cc1ccccc1-c1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cnn(C(C)C)c2n1 609376936 LTFPVKYXRJDFJH-GOSISDBHSA-N 469.614 6.492 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609435234 ZRKUSOSQBPAYHA-ZWKOTPCHSA-N 476.577 6.355 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CCOCC1 609438481 HIKWVZQCJPCLKV-INIZCTEOSA-N 474.424 5.671 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612805236 FZULAVJVDNIMFR-STQMWFEESA-N 450.345 5.756 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1OC 620759278 IQIYQWJYFJDWEB-HNNXBMFYSA-N 474.374 5.507 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1C(F)(F)F 642157667 JQCBTMIREDUZKM-UWVGGRQHSA-N 491.329 5.670 30 20 JKED COc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OCC(F)(F)F 642499729 UFCYSSUGPNWJJN-NXEZZACHSA-N 482.343 5.667 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](c2ccccc2)C(C)C)cn1 726116273 CDSCMXNHPIEPOM-UPVQGACJSA-N 475.618 5.261 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1C 726396692 FZZCHHXIBHJJQA-NZQKXSOJSA-N 467.635 5.306 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(CC[C@H](C)OC)C2=O)cc1Cl 726400695 QMAVDCRGGJMKKZ-KKSFZXQISA-N 490.025 5.042 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726407438 RPZYCJIMFIKZQL-JOCHJYFZSA-N 499.036 5.215 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OCC)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 726410511 HSANSSQNQBBMPW-CLOONOSVSA-N 498.608 5.183 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)Cc1ccco1)c1cccs1 726418705 FCNSGWIXJHSYFW-LXAPTQCQSA-N 485.606 5.501 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/[C@H](C)c1cccs1 726419616 GDBMFTWTGDWEAI-NTZNUKACSA-N 456.420 5.465 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N([C@H](C)c2cccnc2)C1=O 726421441 NAEDDTXJKYHMCK-VIVKRULVSA-N 494.642 5.303 30 20 JKED Cc1cc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 726569743 JPMRGKJSTLRYAT-UHFFFAOYSA-O 466.652 5.456 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)[n+]2ccc3c(c2)CCCC3)c1 726572368 ADLNTTLOBSTXDU-UHFFFAOYSA-O 481.666 6.681 30 20 JKED Cc1ccc(-c2nnc(S)n2CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 728081427 BISLTVBZKSBNFY-UHFFFAOYSA-N 483.597 5.330 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1OC 728438223 CGZIJQLQVKBJJB-BAQGIRSFSA-N 485.895 5.116 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)c1 728780621 VPXNRROIYZHCSF-OAQYLSRUSA-N 497.552 5.005 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ncccc1C 729634565 OGKLYOJUUJGVGC-DEOSSOPVSA-N 488.613 5.122 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)cc1 729635049 ZTXWAEPLTGSGOY-HSZRJFAPSA-N 458.587 5.113 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C(C)C)cc1 730444268 LAVXPWAFRAPWTE-XMMPIXPASA-N 490.629 5.618 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943582 GQKRFFGAQWZGGZ-UUOWRZLLSA-N 486.597 5.314 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)c(C)c1 731078784 QSRVNIBDZUZIAT-INIZCTEOSA-N 479.627 5.783 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1c(Cl)ccc(C)c1Cl 731312089 KLLQXAIADKCFEZ-KRWDZBQOSA-N 496.416 5.004 30 20 JKED C[C@@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 743470775 YEYDCURQVRTIOU-CQSZACIVSA-N 469.295 5.052 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(Cc2cccs2)n(-c2ccccc2)c1=S 746050511 NGDFLIQPVKFGRX-UHFFFAOYSA-N 475.643 5.033 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCOC(C)(C)C)C2=O)cc1Cl 746697001 XQEUYPKFONERBP-HXUWFJFHSA-N 490.025 5.124 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2nccs2)c1 747601861 HTEPXZBKSJBJPZ-OAQYLSRUSA-N 478.643 5.470 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 747995685 PJRQULCNNSWWKO-NRFANRHFSA-N 480.395 5.681 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1Cl 751338864 XHGPSURPQGEGGS-HXUWFJFHSA-N 496.032 5.357 30 20 JKED CC(C)OCCCn1c(NN=Cc2c(Cl)ccc(Cl)c2Cl)nc2ccccc2c1=O 818264743 ZKIRESYWAPKWLR-UHFFFAOYSA-N 467.784 5.618 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837837516 PXUYFRXIHATCTD-HTAPYJJXSA-N 462.550 5.251 30 20 JKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2COc2ccc(F)cc2)cc1OCC 839415197 GJZMGOATKMVTGP-UHFFFAOYSA-N 464.950 5.008 30 20 JKED CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901379894 RWRJHLHGZLZMOY-KRWDZBQOSA-N 496.243 5.570 30 20 JKED N#Cc1ccc(Oc2ccc(-c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)cc2)nc1 904512439 VAAKGNDHJHCAFU-UHFFFAOYSA-N 451.417 5.789 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 915786715 IPNDDSJRTWPGTC-SVBPBHIXSA-N 463.512 5.325 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 916051523 QLEYEEZUMPOZBI-DEOSSOPVSA-N 489.501 5.740 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 916134810 FOQGIYHLGQACCF-WTDSWWLTSA-N 455.869 5.107 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)cc1 916213079 YFSHOECEVPPNJB-RUZDIDTESA-N 480.593 5.704 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 916217060 DBNTVZSJFCJJKY-GOSISDBHSA-N 484.380 5.129 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1cn(-c2ccccc2)nc1-c1cccnc1 916278807 WOCGHBWWPNRNML-UHFFFAOYSA-N 487.592 5.441 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNc3nc(Cl)c(Cl)cc3Cl)cs2)cc1 916318514 UVWJGVOPQZXIGR-UHFFFAOYSA-N 470.769 5.638 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 916919209 UBAYUISULQMFBJ-HXUWFJFHSA-N 489.988 5.211 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916923108 LAFDEHZVSIUQNH-HXUWFJFHSA-N 468.431 5.858 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 916925430 JWDCSPFNHKAHTR-HSZRJFAPSA-N 496.519 5.040 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)cc1OC 916927758 CTLXRYVGNMIFLV-AWEZNQCLSA-N 490.368 5.404 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916927976 GAPVSLLNQYVFKH-LBPRGKRZSA-N 469.168 5.992 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2cccc(Br)c2)c1=S 917482236 IBDXFPAXJOYZIN-LJQANCHMSA-N 456.413 5.219 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1ccc(SC(F)F)cc1 917635250 IHUFWWKZLVVTME-AWEZNQCLSA-N 475.464 5.268 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917669682 CUIXJLAFEOCKJG-OYRHQHFDSA-N 490.673 5.199 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(C3CCN(CC4CC4)CC3)C2=O)c1 917675679 VUESGTPARJKSAJ-RUZDIDTESA-N 490.673 5.138 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)s1 917702561 UNAMTCNUFFSGFC-NRFANRHFSA-N 478.574 5.228 30 20 JKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccc(C#N)c(Cl)c1 917863180 MEXHJEZQZCJRMF-UHFFFAOYSA-N 492.940 5.393 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cn3c(SC(F)F)nc4ccccc43)cn2)cc1 918586771 HMVKMQJTPLQRIE-UHFFFAOYSA-N 451.458 5.049 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 919195320 COYLFRGXKIBMIT-QGZVFWFLSA-N 480.634 5.194 30 20 JKED COc1cc(/C=C2/C(=O)c3ccccc3C2(C)C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 920069855 DYWFDGPPZHKDDC-STZFKDTASA-N 495.497 6.289 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc2ccccc2n1C(F)F 920112533 DXGSVPMPJFFUOI-AVRDEDQJSA-N 482.490 5.232 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2c(C)noc2C)c1 920353435 JPEVTENUBKTKFB-QFIPXVFZSA-N 497.020 5.722 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 920870020 RDTXRPRLQOVUIQ-FDDCHVKYSA-N 461.587 5.083 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 920871426 SLWHIZLAHFDMDT-UZUQRXQVSA-N 479.577 5.222 30 20 JKED CC(C)(C)c1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 921128798 IAEIZLSTMYXJNR-UHFFFAOYSA-N 496.611 5.372 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CCO2)C1 1779242675 GLZVEJIBYGGTHK-SSEXGKCCSA-N 485.628 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3CSc3ccccc3)C2)C1 1781943404 OGIUUYSPGMFQMT-ABYGYWHVSA-N 490.669 5.191 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)cc2)CCC1)C(F)(F)F 1786334223 YRYYNHGVTBQNEW-SFTDATJTSA-N 458.480 5.051 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CNc4ccccc4C3)CCC2)cc1 1786366433 IVEROPSPYYZGMV-QFIPXVFZSA-N 475.633 5.168 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCCC4)c(F)c3)CCC2)cc1 1786366537 BQBDIEBCKXTXKZ-UHFFFAOYSA-N 479.596 5.156 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)cc2)CCC1 1786782608 PWMWATDSLIWFEV-FQEVSTJZSA-N 493.673 5.223 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc5c(c4)OCO5)cc3)CCC2)c1 1787804056 HLHABXGCUDIUAO-HXUWFJFHSA-N 495.579 5.423 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Br)cccc4c3)CCC2)cc1 1787887469 DKUPMXCUFXAGRL-UHFFFAOYSA-N 476.374 5.654 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)CN4)cc2)CCC1 1787948449 QVHSJUVUONYQEJ-AREMUKBSSA-N 485.628 5.174 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5scnc5c4)cc3)CCC2)cc1 1789337819 DHCSXBBCXSENFV-UHFFFAOYSA-N 466.566 5.158 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc4sccc4[nH]3)cc2)CCC1 1789367490 JQEDXQQFSWPBDM-CMDGGOBGSA-N 475.595 5.478 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CCN4CCCC4)nc3)CCC2)cc1 1789453622 CRVVMSZRFDEGNS-HHHXNRCGSA-N 486.660 5.236 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)c5nncn5c4)cc3)CCC2)c1 1789481062 VLYXXZJUVPLWJP-QGZVFWFLSA-N 498.974 5.071 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)CCC3)cc2)cc1 1790290253 OJELHAHNJXOSTC-DSNGMDLFSA-N 465.578 5.194 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791244692 YAWBXTSPUAJLHE-DENIHFKCSA-N 469.626 5.122 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CNc4ccccc4C3)CCC2)cc1)C(F)(F)F 1791303336 WHPCQLFKFMRZAV-SFHVURJKSA-N 471.523 5.304 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cccc(Br)c4n3)CCC2)cc1 1791579314 VTWMJADUESWKPO-CQSZACIVSA-N 484.419 5.063 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc4ncoc4c3)CCC2)cc1)c1ccc(O)cc1 1791642682 KYBPCSZEOKKCPA-NRFANRHFSA-N 493.563 5.478 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ncsc5[nH]4)CCC3)cc2)c1 1792124801 IZSZWINLVXCKMS-MRXNPFEDSA-N 469.570 5.313 30 20 JKED CC(=O)Nc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1792140521 VXXWENJXXOCTNT-LJQANCHMSA-N 480.568 5.334 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1 1792337425 MUKOHXMYSSDQJZ-WHLCRQNOSA-N 493.579 5.043 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1)c1[nH]c2ccoc2c1-c1ccccc1 1792944494 VYRVYSGHYCFRFC-NUNAXRQHSA-N 497.982 5.385 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(ccc4ncccc43)s2)cc1 1799123249 PPZYYZKIZDOBMO-WKCHPHFGSA-N 480.593 5.081 30 20 JKED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1CSc1ccccc1 1799733551 DQAFRKJORQSOHE-MWZSMPGESA-N 492.685 5.175 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1F 1800854562 VLKDJGWZSORDPD-ACDBMABISA-N 460.471 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1802500555 AKXMYORABMIVLV-WXVAWEFUSA-N 490.623 5.333 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)C4(c5ccc(Br)cc5)CCC4)CC3)C2)C1 1804788099 HCCAORQHRISBTB-UHFFFAOYSA-N 485.466 5.068 30 20 JKED Cc1cc(C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)c(C(F)(F)F)o1 1808402457 APICJABPAYQCIH-UHFFFAOYSA-N 496.646 5.503 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1808523519 BZLIGDNOFNNJGF-HTJPCGSQSA-N 479.741 5.275 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1)c1ccccc1 1809164056 UDPAFDOUHGTEHZ-NVQXNPDNSA-N 457.618 5.233 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1810174142 LSMANPUODXEVMK-VIZSFHNOSA-N 472.416 5.476 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1810175493 ZDZQVUSIBHCHIF-RGSZASNESA-N 468.601 5.026 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(C)cc3)C2)CC1 1810353823 YGEKQCSYBFEQKJ-UHFFFAOYSA-N 457.618 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1810491190 ALELLAXHTISDPS-ULVUTOHESA-N 479.587 5.449 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1810498300 LNHPQIISIDBSNJ-PGRDOPGGSA-N 467.660 5.670 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC)cc2Cl)[C@@H]1c1cccnc1 1810503442 PTZYELYZMUUOIV-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3c(-c4ccccc4)cn4ccccc34)[C@H]2c2cccnc2)C1 1811336569 XVEHBWKJVDZLBG-PWUYWRBVSA-N 490.607 5.287 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1812958307 NJBAPROOPUZEGF-DGPALRBDSA-N 494.639 5.248 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3nc(-c4ccccc4)sc3C)[nH]n2)C1 1814392421 LJEYHADKEAVJLZ-JOCHJYFZSA-N 475.618 5.043 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815209332 CYEVLEVEIJPNKH-HSZRJFAPSA-N 486.572 5.598 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4cccc(F)c4)CC3)n[nH]2)c(Cl)c1 1815618278 JSVAEMAQMGAZRA-JOCHJYFZSA-N 491.954 5.112 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(F)cc4)CC3)n[nH]2)c1Cl 1815626242 MLOCDUODLBJWPP-OAQYLSRUSA-N 491.954 5.112 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](S)C(C)C)[nH]n1 1817742401 FTADVNWRRCIMHH-ZJSXRUAMSA-N 477.634 5.040 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)n[nH]1 1817792605 CUQZVEVUHRFRNP-MHECFPHRSA-N 482.588 5.471 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cn(-c4ccccc4)c4ncccc34)n[nH]2)C1 1817795834 GSWQSAFJZYSPPI-DEOSSOPVSA-N 480.572 5.021 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c(Cl)c1 1818813171 MAPWSZJZYDCOBH-NMXNWIABSA-N 499.958 5.700 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 1819309204 OLPHJJGCSHKSSV-JTHBVZDNSA-N 491.592 5.200 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1819552980 LZSQXQRLQYHOGQ-ILBGXUMGSA-N 491.680 5.306 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)n[nH]2)C1 1820171769 NTRIBOFQINVMGO-INIZCTEOSA-N 484.881 5.493 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)[nH]n2)c1 1821323217 WZRNHBVSAGBURO-HSZRJFAPSA-N 486.963 5.344 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(CC)CC)n[nH]1 1821752820 DDTCDIIWYDGOIC-RSXGOPAZSA-N 477.653 5.253 30 20 JKED CC(C)[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824224657 SXYCIZIAVWVJBV-QRQCRPRQSA-N 494.642 5.065 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c[nH]1 1825437831 YZAUUFIUYVAWBC-RUZDIDTESA-N 474.649 5.050 30 20 JKED COc1ccc(F)cc1-c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC#N)CC2)c(Cl)c1 1826322496 XSOANBLYJNSGSE-DEOSSOPVSA-N 497.998 5.302 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1827331636 BJNODRBJSCKIEZ-MUUNZHRXSA-N 492.623 5.476 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827343941 ILSACILGRLPXCI-NRFANRHFSA-N 491.966 5.440 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccnn3C)c(Cl)s2)CC1 1827362485 BPTVLSXHVYSNAO-XLIONFOSSA-N 489.085 5.248 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(Br)n2)CC1 1827921636 BOPISZXKKNHQKC-SFHVURJKSA-N 482.488 5.131 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991399 GDRYGMZXFLFZEJ-QHCPKHFHSA-N 495.023 5.310 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4n3C)CC2)c1 1827997601 PKLGRPVQEQMZGW-JIPXPUAJSA-N 482.628 5.352 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cccnc34)CC2)c1Cl 1828038642 YKBFWLRJCUFVGQ-XMMPIXPASA-N 487.003 5.307 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)oc2ccccc12 1828126771 AVSVOZPJEIMOLO-XMMPIXPASA-N 495.583 5.036 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828139711 QIOCSQDHVVZJKF-OZXSUGGESA-N 463.622 5.178 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)CC1 1828334599 NAOUUZIDIZLEML-QFIPXVFZSA-N 483.754 5.514 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1828822097 WPXLHRZNSHWCCZ-IAPPQJPRSA-N 489.660 5.692 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1828906894 OMZXDMSOFSILSH-DNZIZEQUSA-N 470.774 5.484 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3N=C(C)CC3=O)cc2)CC1 1830072996 JKLZFWONESPGCJ-RUZDIDTESA-N 492.664 5.025 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830358117 AFLPUHNYCUKHFX-RUZDIDTESA-N 481.999 5.135 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CC2)CC1 1830448824 CSKQRAFYLSLPBD-CLJLJLNGSA-N 491.582 5.422 30 20 JKED Cc1nscc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601526 BIBWAFPMXLUTLG-MUUNZHRXSA-N 497.664 5.398 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)sc2c1 1830630677 PLDZFYRIFCYZSH-DEOSSOPVSA-N 486.641 5.218 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)S)CC2)cc1 1830676436 SZJGHBFMWHJKOB-NBGIEHNGSA-N 450.648 5.214 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)ccc1O 1830755151 AEEJOMFGAXRGPI-HSZRJFAPSA-N 499.533 5.138 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccoc4cn3)CC2)c1 1830822346 FUMRKRDHKNYXNN-DFBJGRDBSA-N 470.573 5.002 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1831374567 QXWAMXVIDTWDCC-OXJNMPFZSA-N 454.508 5.290 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1831840080 AOPWIAAVICVCLG-ZHRRBRCNSA-N 489.479 5.154 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1831856050 UXXQLIAZTZMCFK-QHCPKHFHSA-N 467.997 5.337 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)CC1 1832040578 ZYFIFYKRNOVSFY-RPBOFIJWSA-N 454.680 5.339 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)CCC1 1832786271 RMSBQHVUCZECQB-HSZRJFAPSA-N 484.600 5.355 30 20 JKED C=C(C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1)C(F)(F)F 1838757926 NCTOEERYQVOFCA-UHFFFAOYSA-N 486.534 5.084 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4c(ccc5ncccc54)s3)C2)c1 1844640273 PEBFSXYHAPYJFZ-SFHVURJKSA-N 480.593 5.207 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)CC1 1846077553 QZGXERNDELKMPM-UAPYVXQJSA-N 461.528 5.001 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccccc2CC)cc1 10173812 HTZAYEFLIIVJOY-UHFFFAOYSA-O 464.611 5.134 30 20 JKED CC[C@H]1CCc2sc(-c3nnc(S[C@@H](C)C(=O)Nc4ccccc4C#N)n3C)cc2C1 10830159 BWAJDCJJZDOLHY-GJZGRUSLSA-N 451.621 5.049 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2C)cc1 11168506 UIKCNOITGQHDGM-UHFFFAOYSA-O 457.663 6.726 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2 11258243 GAVCYZOAPGPYBI-UHFFFAOYSA-O 471.980 6.144 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 15372896 YQLGXEIKXITFFG-UHFFFAOYSA-N 494.960 5.035 30 20 JKED C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16774159 FONYBSLRTVAFMI-INIZCTEOSA-N 474.977 5.033 30 20 JKED C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16942651 WHBGWBNFRXAXHY-CYBMUJFWSA-N 458.012 5.242 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)nnc1-c1ccc(F)cc1 21338198 CHMRHSYBVJOKDE-UHFFFAOYSA-N 489.479 5.223 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)N(CC#N)c2ccccc2)n1-c1ccc(Cl)cc1 23427242 WBKCMSLAVJZGRM-UHFFFAOYSA-N 489.988 5.245 30 20 JKED C=CCn1c(SCC(=O)NCCc2cc(C)ccc2OC)nnc1-c1ccc(Cl)cc1Cl 24288743 GNMCBYZYVFIWLD-UHFFFAOYSA-N 491.444 5.206 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)nnc1-c1ccc(Cl)cc1 24984633 BFJFRLOVRHRCMF-AWEZNQCLSA-N 464.986 5.149 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 27444940 YWAJPDZZXBPOEX-LJQANCHMSA-N 457.584 5.223 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1sc(-c2ccc(OC)cc2)nc1C 28062419 XQEKJZALTONOPS-UHFFFAOYSA-N 454.573 5.201 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 104862146 BGJGIYWIDPDJDA-UHFFFAOYSA-N 464.949 5.887 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 247970957 AJSWZSALBQGIOV-CYBMUJFWSA-N 467.904 5.137 30 20 JKED Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4SC[C@@H](C)C#N)c(=O)c23)cc1 303281368 KDGVYBADROGJEX-KRWDZBQOSA-N 474.611 5.324 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 484223806 UZFRXCUPVRSLRE-DEOSSOPVSA-N 479.939 5.323 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc1C 498744399 LFWLSZKQCLSKPO-JOCHJYFZSA-N 479.584 5.546 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1[C@H]1COc2ccccc2O1 501115362 YUCBAGFXEUKKEJ-IFXJQAMLSA-N 481.965 5.533 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 501559656 YTUVTVQUNRCFMP-UHFFFAOYSA-N 481.371 5.173 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 503206647 PCSSASRGSNTDRN-UHFFFAOYSA-N 498.579 5.514 30 20 JKED CC(C)CCN(CCC#N)C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 505182552 STBWVCHZDNOTLS-UHFFFAOYSA-N 456.384 5.032 30 20 JKED CCN(C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)[C@@H](C)c1ccc(C#N)cc1 509595125 ZNDRXVVQZPCHTI-QHOQHTPOSA-N 469.629 5.614 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2[C@@H](C)c2ccccc2)n(C2CCCCC2)c1C 510234871 CXTCVFHZNQCSAP-IBGZPJMESA-N 462.623 5.413 30 20 JKED CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)c1cc2ccccc2o1 510619560 VZQLMGAKTULTMK-FQEVSTJZSA-N 453.542 6.693 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 511018642 STVRSADKXQMECM-UHFFFAOYSA-N 467.451 5.885 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)c2)c1 511465197 PZDUPEJVQBHYRM-UHFFFAOYSA-N 461.525 5.613 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 514041854 WNJOTBQONJRTMQ-UHFFFAOYSA-N 496.518 5.003 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 515107982 NJMJMSJEECBBIW-INIZCTEOSA-N 460.353 5.508 30 20 JKED N#Cc1c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc2c1CCCCCC2 515449259 NCQLAKABNKFLFW-UHFFFAOYSA-N 462.541 5.548 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1Cl 515897673 SHNDILORPRUPDK-XCZPVHLTSA-N 493.994 6.034 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccco3)cc2Cl)cc1 515940379 AGZWMYMMCYRXEO-UHFFFAOYSA-N 475.888 5.357 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc(-c2ccncc2)cs1 516767661 LFSUCIZNGBETHO-GOSISDBHSA-N 480.343 5.630 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nnn(-c4ccc(OC(F)F)cc4)c3C)n2)cc1 518720869 DRQHQFMWWGJTPL-SFHVURJKSA-N 465.485 5.099 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 519989289 LSNQSCDLOSXKJL-UHFFFAOYSA-N 456.546 5.099 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(COCc4ccccc4)cc3)cc2)cc1 520003487 DGUKNKDBTCGWNM-UHFFFAOYSA-N 491.547 5.322 30 20 JKED CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 521615969 LSSBYDIVNMXWIY-AWEZNQCLSA-N 473.476 5.233 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2cccnc2)C(C)C)nnc1-c1ccc(C(C)(C)C)cc1 521731901 CYZMRBVNHPRARI-QFIPXVFZSA-N 463.651 5.257 30 20 JKED Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 523997745 BSUJOLUOKPJELB-UHFFFAOYSA-N 459.640 5.819 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cn2)cc1 603689582 QGEOEDNYOJNOKY-GOSISDBHSA-N 455.543 5.767 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)sc2nc(C(F)(F)F)ccc12 603764773 LXLHDPZCLGNCJK-UHFFFAOYSA-N 454.433 5.935 30 20 JKED CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603765898 CCIOGDFQFIXDEO-ZEQKJWHPSA-N 459.977 5.317 30 20 JKED COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 603969333 MTFOPWJCOVOWEV-UHFFFAOYSA-N 493.544 5.344 30 20 JKED COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1NC(=O)c1ccc(Cl)cc1F 603983078 JUKFXHXLTVJNQJ-UHFFFAOYSA-N 494.331 5.066 30 20 JKED CC(C)(C)c1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C(F)(F)F)cc1 604524231 SXXJMBUVWUWLKV-FQEVSTJZSA-N 466.525 5.095 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](CC3CCCCC3)c3ccccc3)cn2)cc1 608799521 WNSFPVUYTYJWRK-RUZDIDTESA-N 468.557 5.512 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1cccc(Cl)c1 609084460 IEJLCIGQVAQMQB-QHCPKHFHSA-N 461.949 5.305 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)nc2)c1 609108827 GZNVEDUFDJRERJ-UHFFFAOYSA-N 479.565 5.680 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 609377349 UIEKHALCNUSEIX-LJQANCHMSA-N 453.571 5.497 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 609438585 NJFMOWYXCJBPSH-MRXNPFEDSA-N 486.435 5.020 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C 612789941 MIAATRXZWWDMNE-GOSISDBHSA-N 469.832 5.133 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCN(Cc2ccc(F)cc2Cl)CC1 612804587 SDVWKAOQGNZHLK-KBPBESRZSA-N 489.863 5.216 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642465610 WADIHSPZWGQIGP-RYUDHWBXSA-N 488.354 5.922 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 726392955 KFVKOVMWHKBMCA-GAJHUEQPSA-N 479.577 5.364 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OCCC)C(=O)N2Cc2ccco2)c1 726411976 PSNLQHVYQKVEHI-DEOSSOPVSA-N 487.581 5.210 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1F 726413631 ZCFZPUFBQZRYPH-GAJHUEQPSA-N 492.576 5.259 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C[C@@H]3CCCO3)C2=O)c1 726416449 WMBJJHSWDFHCGO-LADGPHEKSA-N 495.645 5.230 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccco2)cc1Cl 726889708 GODINDVTBQGBML-HXUWFJFHSA-N 469.950 5.102 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OC(F)F)cc2OC(F)F)cs1 728156110 BEFDLVXBIXGDGQ-WTKPLQERSA-N 498.429 6.066 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 728687943 QSSDLTKTTQSCSK-ISKFKSNPSA-N 475.390 5.505 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(Cl)cc1 728776651 CYQQXPLUQLZZII-IBGZPJMESA-N 493.391 5.787 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N(C)CC(F)F)ccc1Cl 728823651 MABJTJRWAGSSKV-UHFFFAOYSA-N 496.885 5.077 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(C2CCC2)C1=O 730461320 BNJDHRHOVVOAPG-QFIPXVFZSA-N 497.020 5.513 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(C3CCC3)C2=O)cc1 730462941 QXJBXEGHDMAERT-QDKFNBQJSA-N 457.621 5.089 30 20 JKED N#CCCN(C(=O)COC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1ccccc1 730612307 XYBBKNFTLWKUNO-XMMPIXPASA-N 466.896 5.089 30 20 JKED N#C[C@H](C(=O)COc1ccccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12 730919902 GDMHHRHFRNUKOG-HSZRJFAPSA-N 450.494 5.145 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)NCc1cccc(C(F)(F)F)c1 730954955 PVAALAPJWIJKRW-UHFFFAOYSA-N 463.472 6.217 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1=S 731027847 QYTJAKGIGSSQHN-RCZVLFRGSA-N 487.629 5.779 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2cccc(Cl)c2)no1 731076948 DTQCPEDCKFWTRI-AWEZNQCLSA-N 455.923 5.042 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)cc2F)cc1 731305021 DZOPSSNPZNXIAS-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc3cccnc23)c1 731307340 HHODUUWNYLUROT-XMMPIXPASA-N 496.592 5.409 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(CC(C)C)C1=O 746971524 CWOOLHGRCYYZAD-IBGZPJMESA-N 495.523 5.210 30 20 JKED CCOC(=O)COc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c1 747062590 XXLPHOAVHHELPC-BUHFOSPRSA-N 463.917 5.430 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCc3nccs3)C2=O)cc1 747601800 HLJVXOJSBNUTCT-JOCHJYFZSA-N 490.654 5.143 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cscn3)C2=O)cc1 747603966 YAWJWZKCGFXICE-OAQYLSRUSA-N 498.605 5.150 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 747694986 FKHPJSPLDIHNNT-UHFFFAOYSA-N 483.496 5.384 30 20 JKED CCCCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nc2cc(C(F)(F)F)ccc21 750509465 UVCQIBQEFNHUIR-AWEZNQCLSA-N 452.527 5.589 30 20 JKED COc1cc(C#N)ccc1OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 751055006 MEACFHBWGNGZOT-QTJGBDASSA-N 454.526 5.099 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 837885476 FQKDXIRECAMYKR-VFNWGFHPSA-N 482.968 5.596 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 838094086 LWCNLSXABZBFNB-UZUQRXQVSA-N 492.576 5.341 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1F 838235155 DQYDXIQQGDUERT-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCC)C1=O 838586082 BTGFLMKIBIGELK-FQEVSTJZSA-N 461.534 5.124 30 20 JKED C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCC2 858079436 HSVPKKBPVOUGKE-SJLPKXTDSA-N 478.643 5.270 30 20 JKED C=C[C@](C)(CCOC)c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904668145 GEEHSTBUZZMMLX-HXUWFJFHSA-N 453.848 6.076 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2C2CC2)c1 913119473 OHKMNMGCPXNBDW-IBGZPJMESA-N 491.400 5.075 30 20 JKED CS(=O)(=O)c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 914835943 SQONAYAUBKQTBF-UHFFFAOYSA-N 495.402 5.151 30 20 JKED COc1ccc([C@H](CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)NC(C)=O)cc1 915103622 ZMQZOBWSXLDTIF-ICSRJNTNSA-N 488.396 5.569 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(CCc2ccc(C)o2)C1=O 915111124 JEGBHEXPVHLWBH-QHCPKHFHSA-N 495.576 5.247 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915180995 VHMNAINTILKWFW-HHHXNRCGSA-N 491.616 6.634 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCCC2)c1 916207431 XZBVVKPNVGDOTL-QFIPXVFZSA-N 451.592 5.215 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CCCC2)cc1 916213833 GJNLHZZMDZDGFP-NRFANRHFSA-N 488.009 5.260 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 916214680 QTJKTQCCERNQSJ-HXUWFJFHSA-N 498.948 5.310 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2nc3ccccc3s2)cs1 916246653 OFKPKRJOLWZCHO-UHFFFAOYSA-N 461.494 5.902 30 20 JKED CCOc1c(Br)cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OC 916310960 SSRWBOGQMQQQIM-UHFFFAOYSA-N 498.402 5.485 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 916925377 JNCLEQLZHVYWQC-XMMPIXPASA-N 470.569 5.923 30 20 JKED CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916973940 AMWXBSCWYHCMTO-LEWJYISDSA-N 464.566 5.102 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042874 HMPUEVGUAJHEKB-MRXNPFEDSA-N 461.465 5.198 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)c1 918331027 GWADRYGTSDWCNR-UHFFFAOYSA-N 487.940 5.215 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 918443301 DVTNVHRIKALKFE-RUZDIDTESA-N 478.527 5.217 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1csc(-c2cc(Br)cs2)n1 918487824 YFTGAJCOHQFMRP-JTQLQIEISA-N 484.759 5.388 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCCN1C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1 918489643 LZUJEKDCKMXTGN-YJBOKZPZSA-N 474.369 5.581 30 20 JKED CN(C)C(=O)COc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 918713351 RBWUDJYSVPGEJZ-XFXZXTDPSA-N 460.477 5.192 30 20 JKED FC(F)(F)c1cc(Cl)c2nn(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(=S)n2c1 918736794 YIJDJYRHOBPYES-YUMQZZPRSA-N 486.791 5.558 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)n1 919382774 WMUOOVURVLYDJR-FQEVSTJZSA-N 488.590 5.792 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 919665548 BTYIPORIIHJTOD-INIZCTEOSA-N 495.875 5.019 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1Cl 919666274 JDTZGIOFIIUIQQ-HXUWFJFHSA-N 495.988 5.333 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 920103964 KCIOCKGJZYJNDW-DNVCBOLYSA-N 467.485 5.158 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 920108840 AVXSHXLEHWJBJI-FQEVSTJZSA-N 454.452 5.195 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)n2)cc1 920141335 DXHLMACCKGLIQQ-SFHVURJKSA-N 465.481 5.561 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(-c4ccc(C)c(F)c4)no3)n2)cc1 920144771 XFWBGIRMNZHTAG-SFHVURJKSA-N 462.506 5.125 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)SC2=Nc2ccc(F)cc2)no1 920354986 JEKJIOUQSKETDQ-IBGZPJMESA-N 490.919 5.075 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cc(Cl)cc(Cl)c2)no1 920355029 HBJVEWKAQWMLTG-LJQANCHMSA-N 489.384 5.450 30 20 JKED COc1cc(C=NNc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])cc1OCC(F)(F)F 921251456 MUZFVXSLUXCDGU-UHFFFAOYSA-N 472.729 5.058 30 20 JKED CCCc1c(NC(=O)c2ccc(-c3cccc(Cl)c3)nc2O)cnn1-c1cccc(C#N)c1 1447961282 NPCQPPJLNIGVNX-UHFFFAOYSA-N 457.921 5.370 30 20 JKED CCC(CC)c1cc(Cn2c(CC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)on1 1694291150 LMLNDCJXOTWNMP-UHFFFAOYSA-N 489.668 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C2)C1 1780205513 WZYZEMJNXOTOBE-SSEXGKCCSA-N 487.644 5.250 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)C45CC(C(F)(F)F)(C4)C5)cc3)CCC2)c1 1786461627 RWXQSFAWXKNNTB-UHFFFAOYSA-N 471.454 5.178 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c1Cl 1787130483 LGDWAECXQQUOIQ-UHFFFAOYSA-N 493.970 5.364 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CC(F)(F)F)cc3)CCC2)cc(C(F)(F)F)c1 1787876680 QLUGLMYBDTWAKY-UHFFFAOYSA-N 469.385 5.277 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cc(C(F)F)no3)cc2)CCC1)c1ccc(O)cc1 1788309659 LWGQRUIYZUBKLX-GOSISDBHSA-N 493.510 5.263 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(-c4ccccc4)cn4ccccc34)[C@H]2C1 1789202226 CSYXZXRCXAXHSL-DPZBCOQUSA-N 499.655 5.192 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)cc2)CCC1)C(F)(F)F 1789219069 OOWJFZRFFBZHHW-UHFFFAOYSA-N 493.489 5.196 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cccnc5n4)cc3)CCC2)c1 1789246576 JFILMNJREYNBNQ-LJQANCHMSA-N 475.552 5.318 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)sc3Cl)CCC2)cc1 1790566556 BJGLXSMJNLKKSH-ZDUSSCGKSA-N 468.406 5.604 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(OCC)c(Cl)c3)cc2)CCC1 1790725443 UIAWARWCBGUZDE-UHFFFAOYSA-N 488.987 5.608 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)c1 1790767150 WAJWPLBXHJEEAT-UHFFFAOYSA-N 464.500 5.307 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791405365 VGLCQEYAERWJNU-SIBVEZHUSA-N 487.616 5.072 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1791474926 QFGIXIXHNFTSLX-ABPIBVIQSA-N 495.664 5.272 30 20 JKED C[C@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1791909360 UMVSGBMQVOJNCP-IENJSVCTSA-N 462.571 5.093 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5[nH]ccc45)CCC3)cc2)c1 1792123752 QCWFKXXCWONILD-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802832273 TXVVNJBCYSOHRP-MPMKUJPUSA-N 466.025 5.313 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1803086693 LKGGARBIFZKWBV-LEAFIULHSA-N 480.612 5.232 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3)C2)C1 1804787276 WIBUWKLKEJNVMV-UHFFFAOYSA-N 454.920 5.170 30 20 JKED O=C(C#CC1CC1)N1CCCC2(CCN(C(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)CC2)C1 1805886561 WBFMADXESCGNRH-UHFFFAOYSA-N 495.545 5.026 30 20 JKED Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4ccc(OC(C)C)c(C#N)c4)CC3)C2)cc1C 1806637723 UYTMEGVCQPJTDB-UHFFFAOYSA-N 487.644 5.050 30 20 JKED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2c2cccnc2)CCC1 1808488231 VDUJCYLXJQFOSH-HYBUGGRVSA-N 488.975 5.008 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c(C)c1 1811425954 NEKVAJQIBYQKGN-ATIYNZHBSA-N 487.003 5.165 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCCC)cc2)[C@H]1c1cccnc1 1812019484 CXAXIFHLXURSPE-UKILVPOCSA-N 463.622 5.182 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCCC)cc2)[C@H]1c1cccnc1 1812024586 MYRKZSUHYRLUOU-UKILVPOCSA-N 463.622 5.182 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@H]1c1cccnc1 1812053603 MWIBHUHRNDMIIR-LUQKVYGDSA-N 495.929 5.165 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1812438045 FQDPOJRGTWCZSZ-RQTOMXEWSA-N 480.052 5.463 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)cc2Cl)[C@@H]1c1cccnc1 1812980782 KFUDGAPJZNCGRE-WYTIYTFZSA-N 482.024 5.152 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1813870090 XMBIYHPHGTWKGE-AEAGWUPHSA-N 488.676 6.025 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1813971425 QIRKSWBRPYMSMP-XQFWAAQXSA-N 489.513 5.328 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Br)c(Cl)cc3F)[nH]n2)C1 1814397883 YYSMGULMBWFARA-GOSISDBHSA-N 495.780 5.237 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CSC3CCCC3)n[nH]2)cc1C#N 1815186922 RWADLHHXUWKYMC-JOCHJYFZSA-N 495.649 5.050 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1 1815209267 ALZHSSOKUWHXTG-NRFANRHFSA-N 493.435 5.324 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c1 1815789313 AIGTUNISQLYPMG-JRUKXMRZSA-N 478.556 5.090 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1816462765 FCCBGRPGDQKPIV-FQEVSTJZSA-N 493.995 5.753 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817739924 DYGAXIWOQOANQB-CYFREDJKSA-N 457.578 5.298 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818114362 VQVDFEAZFIYPFR-FWTJFMKASA-N 490.629 5.342 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)ccc2c1 1818529189 XWVSIVVMJAUTHK-LEQVUBRHSA-N 499.596 5.073 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)cc2c1 1818562978 XSPHKMIFXNKZJD-RUZDIDTESA-N 480.572 5.010 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971775 PFUZXVNVIRWKPM-ZHRRBRCNSA-N 496.999 5.027 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2Cl)[nH]n1 1819303461 WKRFRPHOTKUQAB-RXVVDRJESA-N 458.965 5.205 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Br)c2F)[nH]n1 1819309618 YNZSAAOKGTWIEH-DNVCBOLYSA-N 489.389 5.386 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1819365783 RVNAQIWAKWBBII-LADGPHEKSA-N 488.588 5.081 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc(-c4ccccc4)s3)n[nH]2)c1 1819932258 ZCKODBQVEKUGPJ-JOCHJYFZSA-N 496.596 5.333 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2occc2NC(=O)OC(C)(C)C)n[nH]1 1820368029 OIUFFULDWBYMGS-IBGZPJMESA-N 499.612 5.648 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434383 ASKHRNABOKHFGN-XUZZJYLKSA-N 478.618 5.462 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1820973911 QYEBLFAQWLNEJB-HTAPYJJXSA-N 487.560 5.416 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821240950 GNJRXEDFLYSTRA-SFHVURJKSA-N 498.406 5.034 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c1 1821325842 PSZQYQGEXQQORO-NRFANRHFSA-N 465.916 5.002 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821611270 PDPKNHFPRCAFFP-KDOFPFPSSA-N 467.551 5.051 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821611384 RCZVHYJDXRVSDU-LJQANCHMSA-N 479.562 5.032 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1 1821987302 MNZVPSHXSJEKQS-OAHLLOKOSA-N 457.308 5.234 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)[nH]n1 1822399390 ZKAOPPCTICLQSP-FQEVSTJZSA-N 467.367 5.207 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)[nH]n1 1822400355 HJCPTSVSTSPBKS-DYESRHJHSA-N 481.597 5.129 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)[nH]n1)c1ccc(O)cc1 1822466414 CCPXWDOOLXXQDC-UQBYDPJISA-N 496.611 5.108 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1822581844 AJANWLAPCDNXCV-SFHVURJKSA-N 465.356 5.355 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)ccc2Cl)n[nH]1 1823126254 AURIBCJYLHVWQD-OAQYLSRUSA-N 456.974 5.146 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2Cl)CC1)c1ccccc1 1823621579 TYGLSFOUITWSCP-ZCYQVOJMSA-N 478.036 5.166 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)C1 1823701803 PKDSXOIWPCMSKL-HHHXNRCGSA-N 485.628 5.138 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1824507905 RZKQFTITLQJXKE-CYFREDJKSA-N 491.657 5.274 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824640922 GQSOELIDSPJWBI-ANYOXOOPSA-N 496.690 5.390 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1825951637 VAAJZGYAELMAGN-VWLOTQADSA-N 493.623 5.372 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1826947459 NHSWHROIUCVAHT-KCWPFWIISA-N 479.709 5.663 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1828421913 LWIKIEXZNQOLRQ-OREGWCPLSA-N 466.666 5.022 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)cc1 1830015194 UXKJQTUJVJHELE-VWLOTQADSA-N 487.003 5.307 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830017222 VSNCQCHTBYRHRL-SANMLTNESA-N 473.617 5.283 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC=C(C)C)CC1)NC(=O)OC(C)(C)C 1830258860 KLLSMKOQTOUVNL-DNQXCXABSA-N 489.701 5.212 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1830839213 XATFOCUWRNUWHJ-DENIHFKCSA-N 469.029 5.218 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)Cc4ccc(F)c(C#N)c4)CC3)cc2s1 1830889474 AIKHOSINRKPULX-XMMPIXPASA-N 492.620 5.025 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1831537628 OCPAXJRUAURQPK-BERHBOFZSA-N 473.617 5.014 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccs3)CC2)cc1C#N 1832702831 OIRRRLPYUOXNDI-RUZDIDTESA-N 493.673 5.273 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1)NC(=O)OC(C)(C)C 1832754025 QQZPYQZGKWTFBO-LOSJGSFVSA-N 497.680 5.088 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CC1 1833291532 DJOUHFHNDJPDIX-UHFFFAOYSA-N 496.454 5.086 30 20 JKED CC(C)[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc([C@H](C)C#N)c1)C2)c1ccc(Cl)cc1 1841417551 WTHIWTWQEFKZLU-DVECYGJZSA-N 464.009 5.224 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC34CN(C(=O)c3cccc([C@H](C)C#N)c3)C4)c2c1 1843152855 AQOOPMSDTUYBAA-HXUWFJFHSA-N 499.611 5.398 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C3)c1Cl 1844735856 RBBMPPZGRHREHL-UHFFFAOYSA-N 482.289 5.015 30 20 JKED N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 9823482 AOFGRAPLZUJJCL-UHFFFAOYSA-N 480.380 5.844 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccc(SC(F)F)cc1 11113139 WOEYQMFXSRONFN-UHFFFAOYSA-O 488.561 5.810 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(Cl)c(Cl)c1 11159325 RKSFKTQYSLYDBW-UHFFFAOYSA-O 466.360 6.172 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)n(C2CCCC2)c1C 11182643 GZPSMOKRGLVHSV-UHFFFAOYSA-N 488.592 5.090 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2OC(F)F)C1=O)Nc1ccccc1F 12728371 IGRJSYNATUSTPV-NRFANRHFSA-N 499.514 5.588 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2cccc(CC)c2)cc1 14872042 DOCLVSBLGZIBLA-UHFFFAOYSA-O 482.467 6.302 30 20 JKED N#CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C(F)(F)F)cc1 20057472 BLWQMYDWIIFRQQ-UHFFFAOYSA-N 494.498 5.201 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccccc1OC 21123200 WOWXXTKRRBURRU-XMMPIXPASA-N 470.598 5.920 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(CCC#N)CCC#N)nnc1-c1ccc(Cl)cc1Cl 22563152 FSINLRBWQPUYKK-UHFFFAOYSA-N 499.427 5.298 30 20 JKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2N/C=C/C(=O)C(F)(F)F)c(Cl)c1 23369106 NWSMBJKFFRLFOA-MYSGNRETSA-N 468.859 5.198 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 28780507 LMWMWRNKEZDAAW-UHFFFAOYSA-O 462.595 5.848 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccc(OC)c2)cc1 29202755 AXYVNDNNARNCSN-UHFFFAOYSA-N 481.556 5.167 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H](C)C(C)C)c1 106038936 XXTLNAHWUPBBIU-GOSISDBHSA-N 461.027 5.370 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1nc(-c2ccncc2)cs1 195662690 MATMVNGULZYWPU-MRXNPFEDSA-N 466.385 6.186 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)nnc1-c1cccnc1 301819734 ZJAYXMODXNALHO-UHFFFAOYSA-N 476.631 5.306 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cn2)n1 302947487 CZRFYSIHOLZBIT-UHFFFAOYSA-N 452.518 5.178 30 20 JKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)C1 303039910 ZPQWIVHJMYKSLF-WMZHIEFXSA-N 488.588 5.757 30 20 JKED N#Cc1cc(F)ccc1CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 483212330 XGUKYNRQLJCAEC-UHFFFAOYSA-N 474.952 5.622 30 20 JKED Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 485074851 CCPBOJKKGKVEFN-UHFFFAOYSA-N 471.991 5.052 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)s2)cc1 487325235 VRMSVGMFOBPDKA-UHFFFAOYSA-N 469.526 5.378 30 20 JKED COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1OCc1cn2ccccc2n1 488981228 WJMNGWJWESMFOK-UHFFFAOYSA-N 474.520 5.713 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)cc2F)c1 491547966 ALBVDTKRNPDXCY-QHCPKHFHSA-N 464.585 5.396 30 20 JKED COc1ccc(Oc2cc(CNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)ccn2)cc1 498615447 VFMCIYFGHZNHLS-UHFFFAOYSA-N 481.556 5.207 30 20 JKED N#CCCn1cc(C(=O)NCc2ccc(OC3CCCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 499533443 SMHPXFNFQWKDDO-UHFFFAOYSA-N 473.533 5.013 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2csc(Br)c2)cc1C 500578550 CVEQMRBFGRZANP-UHFFFAOYSA-N 457.397 5.177 30 20 JKED CCc1ccc([C@H](NC(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c2cccs2)cc1 502820051 RIRSUJYHYUYHOE-DEOSSOPVSA-N 461.974 5.056 30 20 JKED COCCOc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 503082364 AHDQVMFSODTNBO-FDDCHVKYSA-N 493.991 5.912 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1 510674648 KLFSSKCJAUWQFR-UHFFFAOYSA-N 455.514 5.486 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(F)ccc2Br)cc1 511384050 PCKWCDPVBVSXQT-UHFFFAOYSA-N 468.326 5.555 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(F)cc1F 512961857 MTAVORUXBPPQHY-ZDUSSCGKSA-N 464.925 5.094 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 513666586 NJIGIAAELJFKOV-AWEZNQCLSA-N 466.975 5.543 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513677573 YNCVEYCMOLXEOQ-GFCCVEGCSA-N 452.586 5.259 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1ccncc1 515306631 SPHLSYPSZHXVMG-HNNXBMFYSA-N 472.599 5.757 30 20 JKED C[C@H](c1ccccc1)n1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1ccccc1 515572257 UIOQIKNHPGNFCY-OAQYLSRUSA-N 467.598 5.593 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 515649316 CLXLASXYGDBZMW-UHFFFAOYSA-N 485.418 5.433 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC(F)F 515887310 UWQCKRBNIPNFJD-YWZLYKJASA-N 483.902 5.413 30 20 JKED C=CCN(C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516069061 FOAKBVDAGJQXLS-IBGZPJMESA-N 498.670 5.632 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 518360625 LJXCKEOMHSQPIX-HXUWFJFHSA-N 480.549 5.656 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2ccc(F)c(F)c2)n1 518655559 RPWOYNYGRACMIP-CQSZACIVSA-N 459.543 5.743 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 519422898 UEXWPHCMRSUHEL-IBGZPJMESA-N 479.627 5.406 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)oc12 520005378 VCESMFSRHXTVDS-QGZVFWFLSA-N 469.497 5.311 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 521265188 YVCKONZFPBOXIC-INIZCTEOSA-N 452.461 5.520 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cc1Cl 521432641 UCRJMKDVBQNIEX-RSXGOPAZSA-N 492.982 5.330 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 521859617 KIKUZBSVTAAYDL-UHFFFAOYSA-N 451.464 5.665 30 20 JKED CCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524428506 NKXUFTARVMFLKN-UHFFFAOYSA-N 461.949 5.086 30 20 JKED O=C(Nc1ccc(F)cc1)C1CCN(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 586850733 FNLQZRUOXIENHG-KBPBESRZSA-N 483.428 5.095 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 589907985 WZQJAARZRBPSOS-UHFFFAOYSA-N 477.952 5.719 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3I)cn2)c1 604234700 DEDUPRKLTKDNPZ-UHFFFAOYSA-N 475.673 5.256 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604500513 OADOFUJHHSWGLQ-XMMPIXPASA-N 458.949 5.548 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(C#N)cc2F)c1 608798805 JOWZBGSWKXGZGV-UHFFFAOYSA-N 483.952 5.009 30 20 JKED COc1cccc(N2CC[C@H](CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)c1 608826292 RIJZSVYOWLBUHG-JOCHJYFZSA-N 457.599 5.115 30 20 JKED CC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccc(C(F)(F)F)c1 608851107 KXVFKSYJGXTVCZ-OAQYLSRUSA-N 466.525 5.300 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 608995338 KJOIBUSUYJVFJT-UHFFFAOYSA-N 468.557 5.394 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)cn2)cc1 609326887 XQOPNCUQVMVKPB-UHFFFAOYSA-N 484.825 5.251 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 609402963 XPAKINUPTXOKDL-MRXNPFEDSA-N 498.435 6.089 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)cc1 609427380 KJTRIXOPGXDIDG-UHFFFAOYSA-N 491.547 5.470 30 20 JKED N#C[C@H](C(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 613319433 DMDBFATWZJXPDR-MRXNPFEDSA-N 492.047 5.190 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCc1ccc(Br)cc1)c1nc2ccccc2o1 614439747 GPFATEKLVASMHU-GOSISDBHSA-N 463.356 6.373 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cc2Cl)cc1 615574511 XBLYDPYXZZFZBD-UHFFFAOYSA-N 475.932 5.836 30 20 JKED C=CCn1c(SCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)nnc1-c1ccc(Cl)cc1 656527534 NQTMDULUIUYVKO-UHFFFAOYSA-N 490.032 5.674 30 20 JKED C[C@H](OC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 726221955 XGNSKHLREQAZKI-FLVDCRJSSA-N 485.540 5.228 30 20 JKED N#Cc1ccc(NC(=S)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1Cl 726445758 VMECOPCSIWZLIU-UHFFFAOYSA-N 478.933 5.100 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726889771 SHWLPXOIAIOOEC-MGPUTAFESA-N 498.605 5.321 30 20 JKED CCOc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc(Br)c1OC 727266896 JIAVIQUGIMQJOJ-VOTSOKGWSA-N 479.283 5.186 30 20 JKED CCOc1cc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C 727267481 VJTZBEAPNZQUAN-SWEXZPIWSA-N 476.598 5.277 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)o2)cc1 728109741 CMMGFKHNERRTKM-UHFFFAOYSA-N 479.703 5.486 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1sccc1C 728424977 KJKLFUJYAJLAQO-NRFANRHFSA-N 490.610 5.097 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CCCCC#N 728778089 PYPWNZQROZDHIV-DEOSSOPVSA-N 470.598 5.802 30 20 JKED N#CCCN(CC1CC1)Cn1nc(-c2cccnc2)n(-c2ccc(Cl)c(Cl)c2)c1=S 728904660 QURXEJUNMMTOOJ-UHFFFAOYSA-N 459.406 5.355 30 20 JKED Cc1cc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)s1 729285589 SYXAWZFNCCARPE-AWEZNQCLSA-N 458.605 5.100 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1OC 729433602 KQZZLIXMZXMIHW-HXUWFJFHSA-N 484.339 5.258 30 20 JKED O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)CCc2nc(-c3ccccc3Br)sc21 730436674 UZMNMYFNOOWBHA-NTEUORMPSA-N 481.350 5.505 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1cccnc1 730942409 PALZSOYXABRPTJ-JTSKRJEESA-N 462.550 5.251 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730942944 ZVAWLERAVWJNFB-UGKGYDQZSA-N 458.587 5.420 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730943756 KFPXFVBTQBNSMJ-SBUREZEXSA-N 492.576 5.341 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Br)cc2ccccc12 731077061 FIWCYXPJDNNMMB-HNNXBMFYSA-N 483.387 5.792 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Br)c1 731077607 ODDTYNRXWFLQLL-HNNXBMFYSA-N 475.408 5.160 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310811 QMHRQPYIKYXXIC-OPAMFIHVSA-N 481.549 5.106 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cc2ccccc2[nH]1 746693787 AVBQLUNYGOQKCK-XMMPIXPASA-N 479.565 5.200 30 20 JKED COc1cc(/C=C2/CN(C(C)(C)C)C/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 747066401 JVCRZGJMAWQWOO-JTSIYALXSA-N 492.399 5.572 30 20 JKED O=C1/C(=C\c2ccc(O)c(Cl)c2)CN(Cc2ccccn2)C/C1=C\c1ccc(O)c(Cl)c1 747317618 ZZMHHUIDDDQUTE-MXYCIJPUSA-N 467.352 5.352 30 20 JKED CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1sc(-c2cccnc2)nc1C 747611830 XKGIZBGQVVGWST-UHFFFAOYSA-N 451.559 5.597 30 20 JKED N#CC(CCOC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)(c1ccccc1)c1ccccc1 747956300 GLNJLWVPSRAZBP-UHFFFAOYSA-N 469.522 5.775 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 748251651 WRBODVZIJIYWAA-GOSISDBHSA-N 473.664 5.123 30 20 JKED CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NC3(C#N)CCC3)c(Cl)cc2Cl)cc1 749173597 MRSMPXAVIWCEOG-UHFFFAOYSA-N 480.417 5.313 30 20 JKED C=CCn1c(SCC(=O)Oc2cccc(Oc3ncccn3)c2)nnc1-c1ccc(Cl)cc1 751197444 YWVAFIGZHYGEEM-UHFFFAOYSA-N 479.949 5.065 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N 825355224 UMOQTEQPEFYGCD-UHFFFAOYSA-N 463.437 5.014 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 838546061 MWCOMKBANJWIBH-LHSJRXKWSA-N 484.503 5.220 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2cccnc2)c1 858720632 MTTHZNLIYPLOIR-UHFFFAOYSA-N 490.412 5.042 30 20 JKED N#CC[C@@H](Cc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1)c1ccccc1 904669120 RTURRFCIVQDUFE-KRWDZBQOSA-N 484.865 6.836 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 914691557 QJXYWNSBVYODJS-SZNDQCEHSA-N 487.503 5.288 30 20 JKED C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12)c1ccc(C#N)cc1 915678415 LWTGMFGTCMOCBG-KBMIEXCESA-N 451.574 5.298 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1OCc1cccnc1 915943907 NBWXPCGEYYOBGX-UHFFFAOYSA-N 452.539 5.290 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cccc(OCc3ccccn3)c2)c1 915956721 YWAZOLPITZDMBG-UHFFFAOYSA-N 473.602 5.434 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2Cc2ccco2)c1 916206661 RGUAOMLSELNFEQ-OAQYLSRUSA-N 499.976 5.111 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccn2)cc1 916211753 GAPAKNHRKZPUMP-RUZDIDTESA-N 480.593 5.704 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 916215162 DZQPNPZZVMIDAA-IBGZPJMESA-N 463.525 5.774 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CC3)C2=O)cc1 916217094 DYMQKJYVJPLQBU-IBGZPJMESA-N 475.492 5.031 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)cc1 916679268 MEASDCBSFJWIOF-GDLZYMKVSA-N 481.644 5.062 30 20 JKED Cc1cc(-c2ccccc2)ccc1NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 916679663 XPDIKDVJCPQZST-UHFFFAOYSA-N 468.536 5.195 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OCC 916917204 GAOULTVLDARYHZ-LJQANCHMSA-N 495.373 5.290 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1)c1ccccc1 916932565 YPNFYQFYDBAHQM-KSSFIOAISA-N 454.313 5.490 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc(-c2ccc(Cl)cc2)cs1 916976111 JZOJXVMHKMJCLK-OAHLLOKOSA-N 454.964 5.774 30 20 JKED C=CCn1c(SC[C@H](O)c2cc(OC)ccc2OC)nc2scc(-c3ccccc3)c2c1=O 916982137 UOCKQAQZOBKKRL-FQEVSTJZSA-N 480.611 5.154 30 20 JKED N#C[C@@H](C(=O)CCc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995198 CGJDIDALUWWNGV-INIZCTEOSA-N 459.354 5.697 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044699 UCHUMVOYHBDUAA-QAPCUYQASA-N 469.488 5.033 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cs1 917562719 IVGDSDWDMCKSQG-SAPNQHFASA-N 468.578 6.611 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c1C 917670009 ISEYQPSWNYHCFU-XMMPIXPASA-N 486.572 5.475 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)n3)C2=O)cc1 917675701 WWPWOBUAGTYARP-DEOSSOPVSA-N 488.613 5.339 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1 917685230 WSMAICLJCLZVJY-FQEVSTJZSA-N 469.563 5.056 30 20 JKED COc1ccc(N[C@H](C)C(=O)Nc2ccccc2C#N)cc1NC(=O)c1ccc(Cl)cc1F 917940223 YYURGVZRAXWKHN-CQSZACIVSA-N 466.900 5.051 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2OCc2ccccc2)cc1 918272415 ANHQZLXPLKCBPY-MHZLTWQESA-N 475.548 5.176 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 918298832 DRKGHHKLXSXQEZ-GMAHTHKFSA-N 480.593 5.296 30 20 JKED Cc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1NC(=O)c1ccccc1F 918323727 MMLGPJSKAUGSLH-UHFFFAOYSA-N 493.538 6.284 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 920110045 JTYSGLHVAUNIHD-OXJNMPFZSA-N 494.041 6.925 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2C)cc1 920140128 CAJXYTHTOSMRPH-QHCPKHFHSA-N 452.539 5.588 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cc(C)on3)C2=O)cc1 920353087 AMTZIJGTCQTABM-JOCHJYFZSA-N 462.575 5.069 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc(-c2c(F)cccc2F)cs1 920806253 JHQJYSNVAXJOAR-HNNXBMFYSA-N 468.460 5.477 30 20 JKED COc1ccc([C@@H](C)C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)cc1 1785880539 BWWFAZIKGKOHLI-HXUWFJFHSA-N 467.569 5.047 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C5CC5)on4)cc3)CCC2)cc1C#N 1785967560 IYYNUHJUPNMJSY-UHFFFAOYSA-N 484.556 5.272 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(=O)c5ccccc5o4)cc3)CCC2)c1 1786002219 MZJWBYRSVYMXPD-UHFFFAOYSA-N 477.520 5.035 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@]34C[C@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1786104440 SYWSOVRLZJKFDM-MNNSJKJDSA-N 493.648 5.288 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3Cl)cc2)CCC1 1786623432 HJHNNMXWNJZQKI-UHFFFAOYSA-N 458.961 5.139 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCc3cccc(C)n3)cc2)CCC1)c1ccc(O)cc1 1786737697 MDNOGLIEXALIBY-DEOSSOPVSA-N 495.623 5.360 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)cnc4s3)CCC2)cc1 1787888811 BVFAEQNDSYPQNG-UHFFFAOYSA-N 483.391 5.110 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4s3)cc2)CCC1 1788416965 NYIZLWCWPQEWDX-UHFFFAOYSA-N 471.538 5.193 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3sccc3F)CCC2)cc1 1788649304 IJBAWXHAMGZZJM-CMDGGOBGSA-N 454.548 5.136 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5cnccc5nc4C)cc3)CCC2)c1 1789248473 MDJQHIZSGSMSRR-UHFFFAOYSA-N 475.552 5.180 30 20 JKED CSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1789925842 PUIOIQOJACXFHC-VAWYXSNFSA-N 477.611 5.052 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3csc4c3CCCC4)CCC2)cc1 1790568458 ZDNHLOWZGZQNPF-QGZVFWFLSA-N 453.608 5.176 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)CCC1 1790590077 ZYSMKQGUJKAKJC-UHFFFAOYSA-N 453.542 5.263 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5C=CS[C@@H]45)CCC3)cc2)cc(C(F)(F)F)c1 1790787918 WJZIGFGTRCMXEH-PWRODBHTSA-N 483.515 5.200 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4C=CS[C@H]43)cc2)CCC1 1791089330 OSKGIDXAHCTLBL-YMPZKCBVSA-N 452.696 5.047 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1802489900 BHAIPVJUYZLQCB-CUBQBAPOSA-N 485.628 5.312 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1802503202 MAWUXTCMJWRUDF-OZXSUGGESA-N 470.617 5.250 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1803088034 XJBNYNQCVBWBCZ-REWPJTCUSA-N 471.523 5.188 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc5c(Cl)c6c(nc5c4)CCCC6)CC3)C2)C1 1804782832 ZPVLJUWLACIORE-UHFFFAOYSA-N 492.063 5.578 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1)c1ccccc1 1805623301 KAVONHKAUGHANQ-KCWPFWIISA-N 471.645 5.598 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cccnc3SCc3ccccc3)CC2)C1 1806678841 PXSBWHPRTCMCIH-UHFFFAOYSA-N 495.714 5.138 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1807210702 QWMPKHRCDUXVMB-GMAHTHKFSA-N 498.465 5.465 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4c[nH]c(C(C)(C)C)c4)C3)CC2)c1 1807456930 BWQXSMPOJIGROZ-FQEVSTJZSA-N 460.622 5.098 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808418674 GANUGTQOHAUIED-WGGMLVHQSA-N 495.604 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1810172719 BTJDDSHKGKIYQY-WIIGKZCBSA-N 496.655 5.577 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c(F)c1F 1810276674 IFKHMVUMZALYJX-QFQXNSOFSA-N 497.662 5.039 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2C)[C@@H]1c1cccnc1)c1ccccc1 1810441216 ORIBXJCPOCHTDZ-GYGTVUFYSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@H]1c1cccnc1 1810499334 BQTUIEVAOTXDJW-KOSHJBKYSA-N 480.559 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)nc2Cl)[C@@H]1c1cccnc1 1810679426 ZOCQXOJSDJCXKB-XLIONFOSSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2F)[C@@H]1c1cccnc1 1811400138 MNIRKACNMARPSS-RDPSFJRHSA-N 462.569 5.014 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)ccc2[nH]1 1811420639 PURRHKIRFYMDPR-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1811714432 CRYSLCPSKORDMB-PWHSHALESA-N 472.416 5.476 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c(C)c1 1811785352 XWFWGXYVCQWTSB-SQHAQQRYSA-N 475.709 5.069 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@H]1c1cccnc1 1811786844 KEGGYBDIGCCXEV-HYBUGGRVSA-N 496.995 5.040 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812589508 FWUUCIDWPGSRMF-UQASEVPWSA-N 479.930 5.286 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@@H]1c1cccnc1 1813226122 KVUWAOQRQWJINT-BHBYDHKZSA-N 497.614 5.325 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)[nH]n1 1814442723 SDLOJUXIJKKENH-KRWDZBQOSA-N 463.504 5.122 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1815245887 VTMYXPYFWNUMPQ-SWLSCSKDSA-N 461.440 5.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)cc2Cl)n[nH]1 1815577916 JWGORVQSOOWNSO-NQIIRXRSSA-N 458.965 5.205 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1815655447 PXOUKBRRMLXHIG-HSZRJFAPSA-N 499.640 5.555 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)c(F)c2)n[nH]1 1817766698 QBNBUODOFKKUAI-ZHRRBRCNSA-N 479.531 5.268 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1 1817825521 PBVKWMKTNIYQPH-LJQANCHMSA-N 482.682 5.574 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165083 BIMVLUCHFUCUMQ-UZLBHIALSA-N 497.983 5.430 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)cc2c1 1818565289 GEVNITWBDMTTSR-QFIPXVFZSA-N 486.963 5.344 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)[nH]n1 1819556541 DISDRKNFTBBITJ-GNNUASRNSA-N 450.583 5.116 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CC1 1821310768 NLUYKSAKIDEPKN-WJPUGNRLSA-N 487.526 5.432 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)[nH]n1 1821925404 SAWHZOKBWGQHLG-DYESRHJHSA-N 481.597 5.275 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1821987023 ZVCNWEIBXFWZSO-QGZVFWFLSA-N 487.473 5.328 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1822582017 GJGQECIGEIKYEW-JOCHJYFZSA-N 463.969 5.111 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)c1 1823211495 NMMHUGUVEJTDNP-HRFSGMKKSA-N 491.595 5.739 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)cc1 1823682072 QNSNNBDDBXUMFM-HSZRJFAPSA-N 484.065 5.068 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(N(C)C)c4ccccc34)CC2)C1 1823700543 PZLJPIHSHBSJTK-AREMUKBSSA-N 459.634 5.105 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)cc1 1823984395 XDMWILAQVAHTSN-AREMUKBSSA-N 496.026 5.146 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1 1824054258 KLZQXLDCCDRITK-MHZLTWQESA-N 489.685 5.075 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055966 KFLYCJBQSMNBQD-NRFANRHFSA-N 468.947 5.044 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc4ncccc34)CC2)c1 1824474371 FVINEAXZLMXPBV-ZTOMLWHTSA-N 494.639 5.338 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1824539246 QNKASVYRVGPWHR-RCZVLFRGSA-N 496.758 5.243 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)CC2)cc1C#N 1824633342 FZYASFZLGQPGFI-QFIPXVFZSA-N 489.607 5.260 30 20 JKED Cc1ccc(OCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1826560761 FXJJKNVURXFZFO-AREMUKBSSA-N 482.741 5.045 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2noc3ccccc23)CC1 1827087426 ITLDNLJPSBEXPX-RUZDIDTESA-N 493.724 5.041 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827520055 PKOBDJRQINQYIP-QHCPKHFHSA-N 468.041 5.557 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2Br)CC1 1827769902 AXDRHYNIKWFYHV-QUCCMNQESA-N 463.416 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)CC1 1827905305 FJYHBOMCJKXHRO-NRFANRHFSA-N 467.576 5.270 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828354825 MGFDXLCLQPWNMT-DASKCANNSA-N 460.618 5.834 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1828879052 AWZPQZNQIAJYJW-SWHLDRTQSA-N 473.642 5.406 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2F)CC1 1828906734 DUUAOKJKVXVBNJ-XMMPIXPASA-N 474.668 5.249 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)c(Cl)c1 1830723199 YGTQRWGLWHDPNI-JOCHJYFZSA-N 481.021 5.302 30 20 JKED CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1831464294 BCTQLDIDZAGXHY-NBGIEHNGSA-N 455.618 5.076 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1831531562 XVGJDUAXNXSUEJ-FQRUVTKNSA-N 461.581 5.043 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1831537635 OCPAXJRUAURQPK-VHSZZVNMSA-N 473.617 5.014 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2Cl)CC1)c1ccc(O)cc1 1831924449 LVHSOXDVASICHM-URXFXBBRSA-N 483.008 5.069 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1832028224 JDFBAJHXEMVLJI-XMMPIXPASA-N 461.606 5.077 30 20 JKED COc1cc(C)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635655 NMYAYLGINWXOAN-RLWLMLJZSA-N 473.617 5.178 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1832827112 NYNKWHXEQOVUOR-SANMLTNESA-N 469.629 5.461 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)CC1 1836696788 DJZSURLETZPSPC-UHFFFAOYSA-N 452.639 5.191 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CC1 1836697589 MPWVLFKDEXVHFU-UHFFFAOYSA-N 499.095 5.529 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2cc3c(Cl)cccc3s2)C1 1843805061 ZJDVLRYSTZOHOL-UHFFFAOYSA-N 473.114 5.423 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(c2ccc(Cl)cc2)CC1 1847620115 QYTRRDKEGUWPPG-JXEAHHCRSA-N 455.042 5.584 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1cccc(Cl)c1C 11256941 WDGODIOXYXXNRW-UHFFFAOYSA-O 454.959 5.457 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(C(C)(C)C)cc2)cc1F 14872462 UBIVEOKEGWYFCT-UHFFFAOYSA-O 462.035 6.485 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)c1nc2c(s1)CCCC2 15969094 GKNFLCKKIYBPGD-UHFFFAOYSA-N 481.643 5.070 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)nnc1-c1ccoc1C 21740567 QRQZIVXIRBHJJG-UHFFFAOYSA-N 486.601 5.102 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cccc(Cl)c2C)cc1 22728290 PLJYZXVBIJCDJM-UHFFFAOYSA-O 468.986 5.766 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(CC)cc2)cc1 22730304 JCIFJKRNFKRMLW-UHFFFAOYSA-O 471.549 5.588 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731160 TZMKOCFRHILNFI-UHFFFAOYSA-O 467.614 5.933 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)nc2sc(C)c(C)c2c1=O 23405225 VHTWAFONTJJJTA-HNNXBMFYSA-N 484.672 5.010 30 20 JKED Cc1cccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)n2Cc2ccco2)c1 26489727 FWIMUUQTJKTCMM-LJQANCHMSA-N 489.576 5.461 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)COc3cc(Cl)ccc3Cl)s2)cc1 28694068 OABKHDYKXQLFCR-UHFFFAOYSA-N 451.360 5.026 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2cccc(C)c2)c1C 28793344 KRCGIHIYWYZKPM-UHFFFAOYSA-O 455.003 5.443 30 20 JKED C=CCn1c(SCc2csc(-c3cc(Br)ccc3OC)n2)nnc1-c1ccco1 29549172 WPFFACSOIKTPNY-UHFFFAOYSA-N 489.420 5.911 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(F)cc2I)cc1 72069523 YCWBCQCUELWDCY-UHFFFAOYSA-N 488.256 5.355 30 20 JKED COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCCCCC#N)cc(OC)c1OC 96925400 FSGNMYVHOLJAKI-CYVLTUHYSA-N 472.541 5.598 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 303121080 PWXULYLEUZYLJJ-UHFFFAOYSA-N 479.296 5.669 30 20 JKED C=CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)c1nc(C(=O)OCC)cs1 409817367 RKAQXFVENMJSQQ-UHFFFAOYSA-N 493.589 5.355 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4[nH]3)s2)c(C(F)(F)F)c1 487291469 RJWDECODJGZUNH-UHFFFAOYSA-N 455.465 5.072 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2)cc1Br 491836053 VZDRKYRAWZKSAJ-QFIPXVFZSA-N 450.336 5.435 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 498654936 QAOLWNZHESOHMY-UHFFFAOYSA-N 479.602 5.091 30 20 JKED N#Cc1cccc(CNC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 499063154 JPIJWAJMYZLXSE-UHFFFAOYSA-N 470.381 5.526 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)sc2nc3n(c(=O)c12)CCCCC3 501420893 JFYPUKYVOCYDMG-UHFFFAOYSA-N 498.608 5.390 30 20 JKED C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F)C(=O)N(C)CCC#N 501625103 FTOWQNCCMJPXAD-CQSZACIVSA-N 493.942 5.459 30 20 JKED COc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)sc2C)cc1 501755776 WROGNCOLKMMDKQ-UHFFFAOYSA-N 459.571 5.095 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1 503110217 WEBWMQNRBBHHNZ-UHFFFAOYSA-N 467.476 5.072 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OCc2cscn2)nnc1-c1ccc(Cl)cc1 503460055 DKZYFMUURRDPCK-UHFFFAOYSA-N 498.033 5.551 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)c2c[nH]c3ccccc23)c1OC 503709572 QBFCIRHOZWRXLC-HSZRJFAPSA-N 454.530 5.205 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 507535772 RLENJJUWVVFBNQ-MRXNPFEDSA-N 487.585 5.332 30 20 JKED N#Cc1c(NC(=O)CCN2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)sc2c1CCC2 507964156 IQWOFDBSPZQKNJ-LJQANCHMSA-N 491.444 5.237 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(C(F)(F)F)cc1 511498755 PEHGCJWWNAUAKL-HNNXBMFYSA-N 452.436 5.712 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)n2)cc1 512493145 DFPFTCFXISZCPF-JOCHJYFZSA-N 472.533 5.420 30 20 JKED CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc2C[C@@H]1C 515695241 CHJVIQOVEPQRLQ-HNNXBMFYSA-N 481.961 5.102 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 518676724 NUUHEIZBWIWDGJ-AVRDEDQJSA-N 451.592 5.029 30 20 JKED CCC[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1cccc(N2CCCC2)c1 518682081 QJYJSWLLIYMDAL-XXBNENTESA-N 479.650 5.467 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 518753317 MBKRHZHVCILOEA-OAHLLOKOSA-N 477.417 5.378 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1Cl 521513196 IQSVYJGYLUVKRT-AHWVRZQESA-N 471.988 5.982 30 20 JKED C=CCc1cc(CNC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 522114674 DRWZUKWPJQLRIV-IBGZPJMESA-N 473.573 5.245 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1 524296056 CSYSUWSFBHYYQN-UHFFFAOYSA-N 478.556 5.128 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc4c(cnn4Cc4ccccc4)c3)cc2)c1 524386286 USTXMBYXMWSRCQ-UHFFFAOYSA-N 459.509 5.183 30 20 JKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)Cc1ccc(Cl)s1 552232548 SACCXACTGGTQIM-UHFFFAOYSA-N 486.877 7.038 30 20 JKED CC(C)(NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589758455 KUMSNBQMSUPCMI-WDNDVIMCSA-N 464.372 6.149 30 20 JKED C=CCOc1c(Br)cc(CNCc2cccnc2Oc2cccc(F)c2)cc1OC 589833915 DZMYVWKQKSMRAV-UHFFFAOYSA-N 473.342 5.639 30 20 JKED O=C(Nc1cc(F)ccc1Oc1ccccc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590182281 QUXZWUTWKFYVAH-CHWSQXEVSA-N 492.391 5.582 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 603524899 LHMQYVAPLKHVMH-UHFFFAOYSA-N 488.638 5.608 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CN3CCCC3=O)c3ccccc3)cc2Cl)cc1 604090312 SKXITMUZBCMOBT-HSZRJFAPSA-N 474.948 5.489 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(Cn4cnc5ccccc54)cc3)cn2)cc1 604509938 CNQNFSQPFGBQCK-UHFFFAOYSA-N 474.524 5.465 30 20 JKED CCOC(=O)c1sc(NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c(C#N)c1C 604533741 OAXPDUIBJJVMLZ-UHFFFAOYSA-N 455.561 5.268 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080068 PLYYOEJBVQUWPL-UHFFFAOYSA-N 456.933 5.882 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 609081375 VLVCHDDCOYDEGK-OAHLLOKOSA-N 468.325 5.169 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609084794 FUCAOOAWOZAGBM-QGZVFWFLSA-N 477.948 5.005 30 20 JKED C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609163332 HYPZORKAIKWKQW-VFNWGFHPSA-N 452.341 5.406 30 20 JKED N#CC1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)CC1 609212433 KJXJQSWZVIPQLO-HXUWFJFHSA-N 463.434 5.099 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(Sc3ccccc3)c2)cc1[N+](=O)[O-] 609381875 JWFAGSQKDSHWOD-UHFFFAOYSA-N 499.552 5.784 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc2c(cc1Br)OCCO2 609388225 WHMRVHFPIRTUTM-AWEZNQCLSA-N 493.448 5.486 30 20 JKED Cc1c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nnn1-c1cccc2ncccc12 609426067 JKPZYBWIOBCEGN-UHFFFAOYSA-N 474.524 5.021 30 20 JKED COc1ccc([C@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1Br 609432710 LOQIEZXABYKONU-KRWDZBQOSA-N 451.364 5.759 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 609439342 LUMDOFCKVQXACO-SFHVURJKSA-N 470.038 5.691 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCCc2c[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 617896286 PAKCHPCGORNDFR-MRXNPFEDSA-N 466.010 5.105 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)NCC#Cc4cccc(C(F)(F)F)c4)cc3)o2)cc1 644483730 XNDVJNRKANRWAE-UHFFFAOYSA-N 461.443 5.512 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N/CCc3ccccn3)N(Cc3ccc(C)s3)C2=O)c1 726107804 IELSYFAAQQMMGE-ZKZPFDSASA-N 492.670 5.140 30 20 JKED CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2ccc(Cl)cc2Cl)N(Cc2sccc2C)C1=O 726395631 FHNYUYRIQPPFDA-HUOHOCRYSA-N 470.447 5.061 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 726403316 ZUASKBKYNBNYEC-VLIAUNLRSA-N 477.989 5.173 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 726618713 BHHSNMZGYMJSQT-UHFFFAOYSA-N 486.528 5.258 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 726940193 NAWKMKKWHLWHSM-UHFFFAOYSA-N 452.308 5.163 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1=S 727431786 VZSKMKXUOLWBHL-JOCHJYFZSA-N 498.027 5.465 30 20 JKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cs1 728109822 USEVZOYDUSXPJA-UHFFFAOYSA-N 473.510 5.228 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 728233007 ZZTFNKRCYDDWCP-YFHOEESVSA-N 485.458 5.642 30 20 JKED CCc1ccc(Cl)c(CC)c1NC(=O)CCCOC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 728346949 CKUDFAIFLCOAQD-QHCPKHFHSA-N 467.997 5.267 30 20 JKED CCOCCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 728351908 RTGRPEJCAYJOSE-CLFYSBASSA-N 468.575 5.208 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2CC(F)(F)F)cc1 728424160 VHOVDWCWGQYQOR-LJQANCHMSA-N 474.508 5.204 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1c(Cl)ccc(C)c1Cl 728430410 SVEVJXCTQORDNG-KRWDZBQOSA-N 496.416 5.299 30 20 JKED O=C1/C(=C\c2cnc(N3CCCC3)nc2)CCc2nc(-c3ccc(Br)cc3)sc21 728438800 OVXNAPGFRHQBLA-WJDWOHSUSA-N 467.392 5.175 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2c(Cl)ccc(C)c2Cl)[n+]2cccc(O)c2)C=C1 728558742 PRHMEEWBAJYYTG-UHFFFAOYSA-O 489.404 5.389 30 20 JKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1 728668831 AWSQDIRCRMWIGZ-UHFFFAOYSA-N 469.522 5.849 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3scnc3C)C2=O)cc1 729141581 CYHOJSJWSUAKOV-HXUWFJFHSA-N 498.605 5.150 30 20 JKED Cc1ccc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(OCc3ccccc3)cc2)c1 730440243 OCEYDTFPJANJDE-UHFFFAOYSA-O 496.612 5.368 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2c(C)noc2C)cc1 730444611 OCRQKFMLFSWDIR-JOCHJYFZSA-N 497.020 5.456 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)O[C@H](C)C2 730685572 ACTHXJLMOIBQSD-VFAJRCTISA-N 473.356 5.167 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1[C@@H](C)c1cccnc1 730944717 ZHVCZJCXXSYABQ-UUOWRZLLSA-N 488.613 5.374 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)o2)cc1 731060790 QEZMHEDVXCWWME-MRXNPFEDSA-N 462.527 5.196 30 20 JKED Cc1ccc(CC(=O)Nc2cccc([C@H](C)OC(=O)c3cc4ccccc4n3CC#N)c2)cc1 731300622 IFIDSAWKGCAOPW-FQEVSTJZSA-N 451.526 5.573 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1cccs1 731308973 PAVKSUBJDDOFIE-AOMKIAJQSA-N 495.626 5.054 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CCC2)c(Cl)c1 731309381 RVRHDDUTCFVYFD-LJQANCHMSA-N 457.983 5.175 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)c2ccccc21 744597258 RCHXWWKDDLCLPM-UHFFFAOYSA-N 484.364 6.025 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccc2cccnc12 744993731 MGXKVWHODCZZHG-DEOSSOPVSA-N 498.583 5.843 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)O)c2)cs1 745020079 BHBHKAINKNKIHQ-MSKHEQNASA-N 470.934 5.229 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)ccc1SC(F)F 746346345 PMJHBLMTIAFLCH-TWGQIWQCSA-N 494.972 6.701 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C#N)ccc3OC)CCC(=O)N2c2ccc(C)cc2)cc1 747406210 YIXDIOUIYHFGAK-YIXXDRMTSA-N 469.541 5.007 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cscn2)c1 747603705 UEAQLMXPOAEVCP-LJQANCHMSA-N 488.997 5.405 30 20 JKED C=CCN(C(=O)COC(=O)c1c(F)cccc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747908139 KDPKDDKSUIGTRJ-UHFFFAOYSA-N 483.323 5.771 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccsc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 749104414 KAIILTGINRMKEM-HYXAFXHYSA-N 467.499 5.397 30 20 JKED C#Cc1cccc(N(CC(=O)NC)C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)c1 749506971 CJFQBDRXYLHLPM-UHFFFAOYSA-N 472.541 5.238 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@](C)(C#N)CC)c1 749613847 ZCPOWUHUUFUGIH-OAQYLSRUSA-N 499.942 5.162 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2OC)c2nccn2C)cc1 750704935 WOUGYLHZPMOJBA-RUZDIDTESA-N 483.528 5.012 30 20 JKED CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCc4nc5ccccc5c(=O)n4CC#N)o3)cc2C1 778585048 NZXSPOVYCVJQTE-MRXNPFEDSA-N 491.642 5.475 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)s2)cc1OC 792404052 OVMJSIQBTJAVIT-UHFFFAOYSA-N 489.553 5.044 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2sccc2C)C1=O 914547715 ZKXFKTRSOUUGLG-OAQYLSRUSA-N 479.627 5.534 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc2ccccc2n1C(F)F 915107582 UPBVTBKMADNORA-DENIHFKCSA-N 457.436 5.376 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1 915576738 LPMLGNBNDYPHOR-QGZVFWFLSA-N 460.534 5.024 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1Cl 915656251 JPYCRSRJGYCSAL-LJQANCHMSA-N 466.324 5.013 30 20 JKED COc1ccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2-c2ccc(C)cc2)cc1 915796020 QGIFCCCVUWLCHC-UHFFFAOYSA-N 470.602 5.156 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1OC 916134773 SAIKQZBKPVVWLL-OQFOIZHKSA-N 487.886 5.549 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(OC)c2)N(CC(C)C)C1=O 916205621 IENQNDVCWQFPKK-JOCHJYFZSA-N 469.607 5.100 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)cc1 916207132 VNYAIPYZRVKQQY-DEOSSOPVSA-N 490.604 5.547 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 916211200 LVLCENPAQIABQL-HXUWFJFHSA-N 498.948 5.310 30 20 JKED COc1ccccc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nccn1C 916227525 BPVUUQCNOVZQKF-DHLKQENFSA-N 485.975 5.649 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(N(C)CCC#N)cc1 916273030 OTSOUDBLPCAJNJ-UHFFFAOYSA-N 461.978 5.319 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cccc(NC(=O)c3ccccc3Cl)c2)cc1OC 916326224 HSEVXIOTBOJPFU-UHFFFAOYSA-N 493.976 5.039 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 916622984 VBIOXIRFLOFJDK-NRFANRHFSA-N 458.974 5.615 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2n1C 916844815 DECCXUGQMLWGSX-QGZVFWFLSA-N 452.345 5.102 30 20 JKED Cc1cccc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2C)c1 916845650 AQXMIQSWQNIOCI-FQEVSTJZSA-N 456.571 5.482 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@H](C#N)c3nc4ccccc4s3)[C@@H]2c2cccs2)cc1 916846208 LKTXPYHJIYDWOM-IUKKYPGJSA-N 457.580 5.637 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847445 PFVRTWHRHZQXGG-QGZVFWFLSA-N 478.574 5.042 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887156 LGECQMSONFJDKS-QGZVFWFLSA-N 475.517 5.457 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916908520 MWSWTUQIGPSYEW-FQEVSTJZSA-N 450.441 5.360 30 20 JKED N#C[C@@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)Nc1ccccc1Oc1ccccc1 916908556 NABMQJMNDQHKCO-GAJHUEQPSA-N 491.956 5.283 30 20 JKED Cc1cc(C)c(N2C[C@H](C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)CC2=O)c(C)c1 916909059 OUEPWXMSFFBFKC-GGAORHGYSA-N 481.552 5.105 30 20 JKED C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916909174 OYHJJNPOVPXCRV-ZPMCFJSWSA-N 453.498 5.035 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3=Cc4cc(Br)ccc4OC3)n2)cc1 916975310 XNHMFVPCSBMTNX-GOSISDBHSA-N 451.345 5.533 30 20 JKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 917044943 WAGROLJSOCXOPC-INIZCTEOSA-N 473.501 6.080 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 917119428 DXVFMENHEKVENG-VSGBNLITSA-N 458.517 6.049 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc2c1OCCCO2 917535642 FDBRHOSFWCQJPR-UHFFFAOYSA-N 451.935 5.130 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)c(C)cc2C)cc1 917613182 MMTXXLJHIOGINO-UHFFFAOYSA-O 470.662 6.998 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cs1 917644833 NAXLNBMIDKBXCA-GRSHGNNSSA-N 497.026 5.759 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(C#N)cc2)C1=O 917675731 ZJGISSRUYQACDE-VWLOTQADSA-N 498.608 5.508 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)cc1 917797530 CQCOBPJLACZREM-NAKRPHOHSA-N 497.595 5.042 30 20 JKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 917941710 UAZXAQQWMYZWGQ-GOSISDBHSA-N 476.964 5.280 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 918209786 IGXJMDBDGKQGDE-OCVGTWLNSA-N 499.471 5.148 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Oc3ccccc3)nc2)n(Cc2ccc(F)cc2)c1C 919384477 UZOOCBGGUZWCED-UHFFFAOYSA-N 498.514 5.147 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1Cl 920141068 LXHYRDOYCVTDKG-SFHVURJKSA-N 491.001 5.193 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2c(C)noc2C)C1=O 920351551 ADVPNOISTOTFMZ-QFIPXVFZSA-N 492.601 5.077 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804042 JFCFXXQZZQMULO-KRWDZBQOSA-N 495.580 5.761 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 920840303 YADLVEBBOPQMAS-CYBMUJFWSA-N 472.860 5.091 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)OC(C)(C)C2)ccc1Cl 920887986 JGHAIKXRNHOUOK-INIZCTEOSA-N 497.444 5.014 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1C 920892584 PCMAEWRGAPBSSQ-UHFFFAOYSA-N 484.556 5.180 30 20 JKED N#CCCn1cc(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920908192 VPFOIPRENQOLPL-UHFFFAOYSA-N 477.480 5.268 30 20 JKED C=C(Br)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 921043426 ZQRVHTRATVUTIG-UHFFFAOYSA-N 461.259 5.403 30 20 JKED CCC(CC)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@@H](CC)C2)on1 1709373665 RMKPLYTVZQAETJ-QFIPXVFZSA-N 480.638 5.000 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)[nH]4)CCC3)cc2)c1 1786042668 PLJSQOHBSKBAPZ-UHFFFAOYSA-N 480.490 5.286 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)CCC1 1786288666 ZZLVYNSDFVQYDA-FQEVSTJZSA-N 452.620 5.284 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3scnc3C)cc2)CCC1 1787424323 YVPJEABAYFIWKI-HXUWFJFHSA-N 498.649 5.059 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)c[nH]4)cc3)CCC2)c1 1788718970 LZHTWXCOILLKFZ-UHFFFAOYSA-N 480.490 5.286 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(Cl)ccc4n3)CCC2)cc1 1789454167 ROPZIGUVYYRDPL-OAQYLSRUSA-N 462.981 5.504 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4cc(C)ccc34)CCC2)cc1 1790569806 SKMWUSLMHCCKDS-NBSXQYNISA-N 472.589 5.425 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)c1 1790931215 RYGXXXLCATYFJC-UHFFFAOYSA-N 469.472 5.211 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791251581 LVLCPTUUVHEUJM-QHAWAJNXSA-N 483.653 5.368 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791252031 GIDUBJQULLQWGS-RAUDTWRRSA-N 495.664 5.272 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791252261 LCEWAVWZURQXEH-JCUDRXCFSA-N 495.664 5.226 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791441203 UKEKTHUAMZRMPP-QPPBQGQZSA-N 495.664 5.536 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C3(Nc4cccc(OC)c4)CCSCC3)CCC2)cc1 1791589137 JRZKTCQGAYKCBC-UHFFFAOYSA-N 479.646 5.083 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C4CCCCC4)c(C(F)(F)F)c2)C3)C1 1792502112 DBAMQALOWRCKQH-KOUNCHBCSA-N 474.567 5.971 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3cc(Br)ccc3c1)C2 1792572716 QVJPOIUTANTFMH-WKCHPHFGSA-N 484.438 5.242 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCC(=O)OC(C)(C)C)C2 1792573461 UACVGCBMPVNDJO-KOUNCHBCSA-N 462.675 5.299 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCCC(=O)OC)C2 1798339370 SMHGYSHMRLLNME-ZFFYZDHPSA-N 474.686 5.467 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 1798420607 VVHOYPLEDATLRI-KEJFTWOCSA-N 471.117 5.133 30 20 JKED CC(C)Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Br)c(C#N)c2)C3)cc1 1800646720 DEVMFTHAQRGBSM-NUNAXRQHSA-N 494.433 5.085 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccc(Cl)cc4)no2)C3)c(Cl)c1 1800688412 KYGNLJMKLBPEKJ-REPLKXPHSA-N 495.366 5.086 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(F)F)cc2Cl)C3)c(Cl)c1 1800690317 HQPHOLJREDFXDP-QDMKHBRRSA-N 494.325 5.032 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c3ccccc13)C2 1801638052 AQCVVVGQZYFQMY-ZJPYXAASSA-N 455.396 5.066 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2C(C)(C)C)[C@H]1c1cccnc1 1802503696 RUPRSSCDYXKHAR-GMAHTHKFSA-N 462.638 5.086 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1803082872 YSVYDZHWFWNIAF-XUZZJYLKSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1803094035 ZOGKCHYNEXWBBL-WDYNHAJCSA-N 479.624 5.837 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803229355 VLJFDVIYTIPNNB-IEZKXTBUSA-N 486.081 5.100 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1803416935 MIEJBBDBBRLRCO-BGWNEDDSSA-N 465.663 5.261 30 20 JKED Cc1cc(Br)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)cc1F 1803684757 NJLBGTCGXIPZNQ-GEALJGNFSA-N 498.396 5.089 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]4CCCC[C@@H]42)C3)cc1C#N 1803839486 SJMBWGPANHKNOP-CDVVOCGSSA-N 477.649 5.204 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)c3ccc(OC)cc3)C2)CC1)c1ccccc1 1805321932 JGMBIBXXBBOOKF-CUBQBAPOSA-N 486.656 5.227 30 20 JKED Cc1scc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c1C 1806055975 TUCBGIZMFXCCMD-WSNNEZGNSA-N 472.614 5.020 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)s4)C3)CC2)c1 1808212579 MKIVLWGQKIKIIP-QGZVFWFLSA-N 456.011 5.187 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CC1 1810277782 UWOGTADOSFMTDV-YWCVFVGNSA-N 495.784 5.601 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810588761 VDXYEUPFJUWASC-DHLKQENFSA-N 498.067 5.834 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3cccs3)on2)[C@@H]1c1cccnc1 1810849134 WSSHBNOBCAJUDG-CVDCTZTESA-N 478.618 5.110 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1811420088 LBPAOMNMASXRLQ-HLFHMTEMSA-N 493.051 5.533 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1812673365 SQIPDOUFWSLYEP-UGKGYDQZSA-N 491.966 5.053 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccccc4)CCC3)[C@@H]2c2cccnc2)c1 1812994123 VOSBJPSTXYEXHC-ZEZZXZOMSA-N 492.623 5.150 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1813227168 PMVNRTCGVZDTKM-KBMIEXCESA-N 480.033 5.463 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2cccs2)[C@@H]1c1cccnc1)c1ccccc1 1813341705 RIBZEROLYDPHKZ-FBCJSKMCSA-N 485.653 5.150 30 20 JKED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814932828 FRTSMXIJQOPPCG-JSBMJGEESA-N 497.039 5.068 30 20 JKED COc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)cc1C 1815503070 WMUGRDOUEHYTQR-QHCPKHFHSA-N 494.712 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)oc3cc(O)ccc23)n[nH]1 1818658060 SMLIQYIAPBHWLJ-NRFANRHFSA-N 462.550 5.244 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCCC[C@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818939556 FPEFSXSHCJTFNW-HNNXBMFYSA-N 492.395 5.216 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)c1 1820434246 CNJXLWALVHKEPT-IBGZPJMESA-N 486.334 5.347 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](CC=C)C(=C)C)[nH]n1 1820910876 PRKPJAZNEJQFAX-JAXLGGSGSA-N 499.656 5.030 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(OCC3CC3)c2)n[nH]1 1821233110 BNCKPBBRYXHENL-JTHBVZDNSA-N 492.620 5.281 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccsc4[nH]3)n[nH]2)c1 1821437580 KYDJIIVNQYBMHE-VFNWGFHPSA-N 472.574 5.199 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821543335 QYTXVNUBKYTNSJ-IERDGZPVSA-N 465.985 5.619 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1821924422 BTCPDMZQBIGRCV-VGOFRKELSA-N 471.561 5.669 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2c(C)cccc2C)[nH]n1 1821986673 UPBNPKBWLFFIBA-GOSISDBHSA-N 462.566 5.022 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1822582310 JRFIUUWJMQFWSJ-IBGZPJMESA-N 479.562 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(F)c3F)n[nH]2)c1 1823226105 QJIARVNDGPHMGC-QKKBWIMNSA-N 481.478 5.074 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1)NC(=O)OC(C)(C)C 1823347705 GEVUELRECHCFDH-TUNNFDKTSA-N 499.656 5.008 30 20 JKED COc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)cc2c1 1823684056 XTNPOOOOSBMQHS-AREMUKBSSA-N 499.611 5.179 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 1823752778 MOCYGAFFLBULDP-QFIPXVFZSA-N 451.611 5.362 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1823886759 OGHVIMFOACNEGM-URXFXBBRSA-N 495.067 5.411 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1824048883 NWJPSSUATHPMMS-HFZDXXHNSA-N 452.639 5.187 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1824536161 ZYIKWVKTBKJBNU-BJKOFHAPSA-N 471.642 5.009 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c[nH]c4ccc(C)cc34)CC2)c1 1825099132 MUPMTWHPXUJYQL-NDEPHWFRSA-N 482.628 5.132 30 20 JKED Cc1scc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1826183912 IPELNUVFKKCCKB-CJAUYULYSA-N 463.647 5.539 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)c1 1828399673 BBYPZSYADJCGBY-PLXFJCCSSA-N 494.010 5.388 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1828421914 LWIKIEXZNQOLRQ-XXAUWVGASA-N 466.666 5.022 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828676403 SPMFCWMQTMTVGQ-QFIPXVFZSA-N 453.652 5.522 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1829456411 DGZKILAWMUCMDY-SBUREZEXSA-N 499.442 5.563 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)CC1)c1ccc(O)cc1 1830098007 BCXJYRPGNSTZFK-AJTFRIOCSA-N 494.582 5.101 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830359013 MNXFVCRCTLWMNU-IBVKSMDESA-N 493.648 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1830792507 GERGCOGXRBXNSH-HSZRJFAPSA-N 475.624 5.257 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)C1 1830977903 JJNIYMWGBYUCSV-RUZDIDTESA-N 471.601 5.627 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccccc4c3Br)CC2)CC1 1830987983 QROCUCORRTWMCO-QFIPXVFZSA-N 494.433 5.139 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058951 AYQIEXGSSBVEPQ-SANMLTNESA-N 470.613 6.013 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1831371431 VPVVSEDSOWFDRV-OXQOHEQNSA-N 476.543 5.027 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1)C(F)(F)F 1831453303 YKXCDGULXZHBMA-LCCNJJIFSA-N 460.496 5.184 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1831844572 BMKHFBHTOSIVDH-RIEVBORMSA-N 486.628 5.436 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(Br)c2C)CC1 1832029956 ZADWWKFAXBOAAD-QHCPKHFHSA-N 491.445 5.324 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cccc1C(F)(F)F 1832700359 YCYWFYDCZDXWBL-LEWJYISDSA-N 470.601 5.202 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CC(C)(C)C3)CC2)cc1C#N 1832704009 BRGARSWDGYAUIL-XMMPIXPASA-N 465.638 5.015 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1C#N 1832704920 ZBWZKYYDNAUAAL-VWLOTQADSA-N 495.570 5.171 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1838593182 VQFQKNQVASDKJU-UHFFFAOYSA-N 467.654 5.167 30 20 JKED O=C(C[C@@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1ccc(F)c(Cl)c1 15231825 MBEPDWUAXAYZTG-NRFANRHFSA-N 483.952 5.306 30 20 JKED CC(C)n1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccc(Cl)cc1Cl 15244630 PAZSLWWCTSPQEM-KRWDZBQOSA-N 477.417 5.431 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(N(C)C)cc2)cc1 15247752 NYMXGABRAHSOAL-UHFFFAOYSA-O 483.455 5.416 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)cc1 15248047 YUKVDOXLQLPZOY-UHFFFAOYSA-O 458.434 6.629 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc3ncccc23)nnc1-c1ccc(Cl)cc1Cl 15979630 JFYSXDBFKULGPD-UHFFFAOYSA-N 470.385 5.717 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccc(F)cc1 21996239 XUYWOLUDADAMNK-UHFFFAOYSA-N 496.549 5.033 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)c1 22730208 YOMIVGVKRSQEBX-UHFFFAOYSA-O 451.562 5.799 30 20 JKED O=C(/C(=C(/S)NCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 22730642 DBPSHPWZNINJQC-UHFFFAOYSA-O 482.585 5.202 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(Cl)cc1Cl 22731103 USLZAXRRBZYHSZ-UHFFFAOYSA-O 450.436 6.264 30 20 JKED C=CCN(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1nc(-c2ccccc2)cs1 23259011 ZDXMOKXDHSVHKU-UHFFFAOYSA-N 478.577 5.650 30 20 JKED COc1cccc(-c2nnc(S[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2Cc2ccco2)c1 24006552 QITLZJAGLZTSQF-HOYUBGIKSA-N 493.633 5.006 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](c1ccc(C)cc1)c1cccs1 32786709 ZXTVRCDKCFXKIO-RUZDIDTESA-N 474.655 5.423 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nnc1-c1ccccc1F 195569059 BYLITZWTAXKYHM-LJQANCHMSA-N 493.589 5.395 30 20 JKED N#C[C@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc(-c2ccncc2)cs1 195662379 SUGVNFZYEGKZCL-HXUWFJFHSA-N 465.538 5.010 30 20 JKED Cc1occc1C(=O)Nc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1F 479960622 FXQOZXUXRPTZAO-UHFFFAOYSA-N 471.513 6.255 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 481794979 PYQRGRDHXPYUJK-UHFFFAOYSA-N 498.326 5.039 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 483367905 AEWXCVYVGTXJCL-YKSBVNFPSA-N 455.533 5.149 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 485711992 XLNHOGMBJISMNO-INIZCTEOSA-N 467.447 5.527 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@@H](C)c1ccccc1 486243214 HRBDTPMAWXVIOY-KRWDZBQOSA-N 456.999 5.008 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccnc3SCc3ccc(F)cc3)s2)cc1 491457708 UIKSIHLUFDLDMS-UHFFFAOYSA-N 493.614 5.781 30 20 JKED N#CCN(C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2)c1ccccc1 497352996 WUJHJHHNFDRQFK-SILNSSARSA-N 459.505 5.621 30 20 JKED O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503374651 JOAXFRKMRQQIKI-UHFFFAOYSA-N 497.714 5.258 30 20 JKED CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(=O)Nc1ccccc1C(F)(F)F 505078970 XFQUDEXTUGZVGU-HNNXBMFYSA-N 492.567 5.053 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 505120462 OUXJOMDHSNTEFG-FQEVSTJZSA-N 462.619 5.310 30 20 JKED CCCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)c1cc2ccccc2o1 507758293 MGRXYSGJPAIXEY-NRFANRHFSA-N 467.569 7.083 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(Oc5ccccc5C#N)cc4)CC3)c2c1 510696284 DBBZYUKETNBHIW-UHFFFAOYSA-N 466.541 6.252 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 511565409 SFBYCXPKTBVRCS-SHQCIBLASA-N 487.556 5.327 30 20 JKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(OC)cc1Cl 513940418 PHYSDLAQIWUOGB-UHFFFAOYSA-N 453.901 5.602 30 20 JKED Cc1ccc([C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)N2CCCC2)o1 513986148 WWFHQJPJWIWEFJ-VWLOTQADSA-N 458.562 5.192 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1Cl 514466554 UBDBBFPTZWQMFK-GBXCKJPGSA-N 494.016 5.035 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 514559222 GMRAMAOEYLWIGF-UHFFFAOYSA-N 457.505 5.278 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)cc1 516270423 XXEVYLCMWPTXQT-XMMPIXPASA-N 465.534 5.759 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)c(OCC(C)C)c(OC)c3)n2)cc1 516713861 KYWNYZJRCTUTQQ-SFHVURJKSA-N 470.978 6.006 30 20 JKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517466704 SUGLFYCYYJCMSK-ZDUSSCGKSA-N 469.916 5.523 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 518180882 NDOKLKVKQHBZMV-UHFFFAOYSA-N 496.546 5.436 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 518660027 DWTCXWHPWZFIOW-NSHDSACASA-N 454.926 7.078 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(C(=O)Nc2ccccc2)cc1 518667178 WGJRVCPYSLRIFK-LJQANCHMSA-N 475.639 6.205 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3-c3nc(-c4cccc(Cl)c4)no3)CC2)cc1 518686660 APWIGMURRNGTHR-UHFFFAOYSA-N 497.986 5.277 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 518739284 WVIUTPMVZYGJBU-NVXWUHKLSA-N 461.509 5.087 30 20 JKED CN(C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1)C1(C#N)CCC1 519108897 PGSXQHLRYOWAQD-UHFFFAOYSA-N 494.016 5.254 30 20 JKED COc1cc(I)c(Cl)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 520924277 SDJRTPSAYRGJQG-NSHDSACASA-N 486.762 5.600 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc(-c2c(F)cccc2F)cs1 521261706 YBIULPLJALUANG-ZDUSSCGKSA-N 499.951 6.546 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1cccc(Cl)c1 521264084 WBFFILQPGISCHK-CQSZACIVSA-N 455.877 5.121 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 521732054 HHQIRNIPIQLMNQ-UHFFFAOYSA-N 470.916 5.029 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2Cl)c1 524437339 HOBNTVXSIFGESA-HSZRJFAPSA-N 489.959 5.931 30 20 JKED CCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)Nc1cc(Cl)ccc1Cl 552501115 WQUKJKYOGVEJNP-UHFFFAOYSA-N 479.433 5.095 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SC[C@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccco1 553312067 SWBCIIQPHQOISD-XSEKTIEYSA-N 478.618 5.133 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccccc2F)o1 572908218 YPDHAAPREKMUSM-UHFFFAOYSA-N 463.456 6.077 30 20 JKED Cc1ccc(Nc2nnc(SCCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)s2)cc1 590612311 QIWTWRGQHSXZMV-UHFFFAOYSA-N 492.630 5.642 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1 603444673 SLRJSHVRBYADOY-UHFFFAOYSA-N 486.018 5.524 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1Br 603601355 WOUDBEYJALVHJR-UHFFFAOYSA-N 466.335 5.396 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3-n3cccn3)s2)c(C(F)(F)F)c1 603758394 WRHYEPAXCHONEF-UHFFFAOYSA-N 453.449 5.062 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@@H]3CC(=O)N(c4cccc5ccccc45)C3=O)c2)cc1 603953395 LPLWGTMCBVMIIB-AREMUKBSSA-N 461.521 5.229 30 20 JKED CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604193477 MEGMVZYECRNHME-UHFFFAOYSA-N 462.937 5.464 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)c3ccco3)cc2)cc1 604458551 CFOWHVVTWUKRAT-VWLOTQADSA-N 463.493 5.149 30 20 JKED CC(C)[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 608810493 KJANYSHTGGKMCS-NRFANRHFSA-N 486.494 5.555 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 608994170 HTPKIUKGWDMPRG-VWLOTQADSA-N 461.009 6.111 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc(OC)c1OC 609006174 CYQZRHFBZCFNOA-DEOSSOPVSA-N 488.584 5.584 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1OCc1ccncc1 609082173 CEHHTJVETSEYPC-OAHLLOKOSA-N 468.460 5.025 30 20 JKED C[C@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609403512 BWULMGVVDBXBNF-GFCCVEGCSA-N 471.451 5.147 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 609436101 GIDOACRKGRZEBM-QGZVFWFLSA-N 456.999 5.114 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)n2)cc1 613319093 NHCHHKKEMNYCHO-RDGATRHJSA-N 479.561 5.551 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 613319202 VVCURQIHEUUMFU-HXUWFJFHSA-N 488.034 5.293 30 20 JKED CCN(CCC(F)(F)F)C(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 623169859 UMENVDSIHFSCCC-UHFFFAOYSA-N 466.353 5.376 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 642158523 SGMXVPWOCAVROP-NXEZZACHSA-N 491.329 5.670 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1nn(-c2ccccc2C(F)(F)F)cc1O 642228015 VLJQAHSEHHQYHS-UWVGGRQHSA-N 489.338 5.236 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1C1CCCC1)c1cccs1 726414974 DNKTVYCXSSZWNV-NDKFBNENSA-N 470.664 5.147 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S/C2=N\[C@H](C)c2cccs2)cn1 726421067 NZXRDHRUJQZPSR-LBFQSERASA-N 494.642 5.050 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@@H](C)c3ccccn3)C2=O)c1 726421598 OFDODMRZOQLYRJ-QEZUWTJJSA-N 492.670 5.911 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCCC3)cc1 726570475 AMJVTUIBIZKEMZ-UHFFFAOYSA-O 489.064 6.654 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 727134004 ULEROLYBUNVEDK-LEOXJPRUSA-N 476.577 5.561 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c1 727607779 RHSSEIABNMTCSL-SANMLTNESA-N 496.611 5.076 30 20 JKED N#C[C@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc(-c2c(F)cccc2F)cs1 727632254 ULPPYLQAIHTFAM-CQSZACIVSA-N 452.404 5.796 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(OCC#N)cc1 727650916 XFZBPKPDYWTYQW-XMMPIXPASA-N 484.581 5.058 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 727997240 WMBAZVMMADEYEP-UHFFFAOYSA-N 471.557 5.974 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 728333720 TVWGACMBXLAQBY-AWEZNQCLSA-N 488.422 5.317 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccsc2)c1 728422351 AKTIMSAGPMGDFJ-OAQYLSRUSA-N 460.584 5.089 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CCCCC#N)C2=O)c1 728778955 WCDJLFHZEAEONZ-HXUWFJFHSA-N 488.972 5.142 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)cc1 729631876 MFKBFWDEJJYZEW-IAYWTGDDSA-N 478.643 5.350 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1sc2cc(Br)ccc2c1Cl 729844928 XWDWFWDHKCVKPU-UHFFFAOYSA-N 450.745 5.647 30 20 JKED C=CCN(C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)c1nc(-c2ccccc2)cs1 730448371 FUBAFJUOSOIAQN-UHFFFAOYSA-N 453.539 6.129 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1ccccn1 730522479 MIVIJXVQZPOJME-XMMPIXPASA-N 486.597 5.007 30 20 JKED N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 730684764 DAFNXGABNHMHLL-RBSFLKMASA-N 458.370 5.562 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Sc1ccc(Br)cc1 731075153 WJENIOHGSFFWOE-LSDHHAIUSA-N 493.448 5.506 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 731114152 HTGGRCXLWWGGNX-QGZVFWFLSA-N 478.540 5.187 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 731288780 WEOCTWUAGJXUAU-LPHOPBHVSA-N 484.408 5.846 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731304623 XROAGIYFUFLCDE-QHCPKHFHSA-N 487.606 5.767 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCCc1ccccc1 731313549 ZGZRNANVIVDKSB-RUZDIDTESA-N 498.608 5.247 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(NC(=O)CC3CCCC3)CC2)c1=S 731352927 XSIQJFMNAOXBPU-UHFFFAOYSA-N 474.074 5.039 30 20 JKED COc1cccc(O)c1C=Nc1cc(NC(=O)c2ccccc2I)ccc1F 746682374 VAFSMZICDXOUKS-UHFFFAOYSA-N 490.272 5.147 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1Cl 747111982 JXFVVSLHNGKCTO-HNNXBMFYSA-N 494.787 5.669 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCCCC#N 747472909 IVVVRSSGNSQHJN-ODLFYWEKSA-N 479.410 6.090 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 749182710 QMYHCIPHLAOGPV-MRXNPFEDSA-N 474.374 5.174 30 20 JKED Cc1nc(-c2ccc(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)cs1 749209990 AMUJNCDABFQVPE-UHFFFAOYSA-N 468.582 6.085 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1C 837299837 OHNGNJZYBWOYFA-WZONZLPQSA-N 476.577 5.559 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](C)c2cccnc2)C1=O 837544637 PDLVGPHDVIASTC-DVECYGJZSA-N 488.613 5.592 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 838310090 BRTTZOCYHVWUMZ-CJFMBICVSA-N 486.641 5.982 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NCc2cc(Cl)cc3cccnc23)cc1 864000969 KQQRHXIXHFEYCI-HPNDGRJYSA-N 456.999 5.093 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)c2C#N)C1 875463931 ZJWMHTIKSYNPJU-MRXNPFEDSA-N 482.627 5.590 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 914544055 QOWINQZGTLRDBR-HYBUGGRVSA-N 472.614 5.098 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)Cc2cccs2)c1 914743316 WSGXPZKETRNALP-QGZVFWFLSA-N 475.035 5.144 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915104059 JESADUCMPWUXNL-HNNXBMFYSA-N 470.476 5.549 30 20 JKED CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 916155638 OSRVHQTULKRTSV-XGICHPGQSA-N 489.380 5.050 30 20 JKED Cc1sc2ncn(N=Cc3cn(-c4ccccc4)nc3-c3cccnc3)c(=O)c2c1-c1ccccc1 916283518 FLRQPDBNNNDZFL-UHFFFAOYSA-N 488.576 5.563 30 20 JKED COc1cc(C=NNc2nc(C)nc3sc(-c4ccccc4)cc23)cc(OC)c1OC(C)=O 916311634 GBYSFZZQGYVHRQ-UHFFFAOYSA-N 462.531 5.055 30 20 JKED Cc1cc(=O)oc2cc(OCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc12 916627860 APOWZOMRFREXBT-SFHVURJKSA-N 450.903 5.134 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Oc1ccccc1-c1ccccc1 916876853 ATXVUVRSZDMLNC-UHFFFAOYSA-N 452.304 5.371 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCN1c2ccccc2Sc2ccccc21 916903513 SXUMQWYWBMTHID-KRWDZBQOSA-N 492.000 5.997 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 916910657 YALREDUJDBFZNY-JOCHJYFZSA-N 471.532 5.472 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1Cl 916940856 ZUAHZAXEGRCYIJ-CYBMUJFWSA-N 451.891 5.179 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996076 JXDCCRLCSZAFEB-CABCVRRESA-N 460.317 5.558 30 20 JKED N#C[C@H](C(=O)COc1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997510 VGHXKOLXBPKWQI-MRXNPFEDSA-N 472.353 5.257 30 20 JKED COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2)cc1 917327280 GTWRYNUKMYAKBS-SANMLTNESA-N 482.492 5.276 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2)cc1OCC 917508416 RHIRZSQRGYVTPQ-KRWDZBQOSA-N 464.543 5.141 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4)n3)cc2c1C 917560719 XGFMASMHPADLRY-TWGQIWQCSA-N 495.557 5.568 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)c(Cl)c2)n1 917672259 QYMQUNTYGOQCEQ-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(Cl)cc1 917678721 CSTYGFPVJHLPQO-IBGZPJMESA-N 480.417 5.299 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 917683306 VGUNGCQSAJQNSM-DVECYGJZSA-N 487.629 5.178 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)s2)cc1 917684897 QWENMUYHZWNXST-OAQYLSRUSA-N 465.600 5.226 30 20 JKED C=CCN(Cc1ccccc1F)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1=S 918182512 SCDPJWSSYHKXPF-HXUWFJFHSA-N 477.609 5.526 30 20 JKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(-c4ccc(C(=O)O)o4)cc3)cs2)cc1 920066252 VOFPTJWXGZYPKN-WDZFZDKYSA-N 461.495 5.585 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)n2)cc1 920138979 MRRJVSWYMDCKSG-FQEVSTJZSA-N 463.559 5.333 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1[C@@H](C)c1ccccc1 920143521 XDCNEWBLIWDZEA-UUOWRZLLSA-N 450.567 6.200 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc3ccccc23)s1 920169316 FLNVHQQXSVQGKN-KSFYIVLOSA-N 463.628 5.571 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)n1 920327599 XBPUDKVNWFCFSO-QRWLVFNGSA-N 485.359 5.079 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)cc1C 920352582 PSYMCNQTYDEUBN-JOCHJYFZSA-N 480.565 5.208 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)cc1C 920839404 OYJIAPZHUYOHDN-KRWDZBQOSA-N 463.488 5.743 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl 1265163615 MDABSCOXLGFLNM-QHCPKHFHSA-N 455.892 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1778142211 NCYCSUOCUHFSOY-UTOLSJPLSA-N 497.035 5.496 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](c1ccccc1)[C@H](C)CC)C2 1779510748 RYSROFFTRFZBHG-ZTFZWQTPSA-N 468.682 5.323 30 20 JKED COc1ccc(Cl)c(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)c1 1785885004 PQVFLTMHZIFHAH-UHFFFAOYSA-N 473.960 5.211 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)cnc4s3)CCC2)cc1 1785936136 KNQYSDXVKHEQPW-UHFFFAOYSA-N 497.418 5.356 30 20 JKED CC(C)(C)OC(=O)N[C@H](CC(=O)NC1(c2ccc(NC(=O)C(C)(C)C#N)cc2)CCC1)C1CCCC1 1785936611 QDMHARGERQELPZ-JOCHJYFZSA-N 496.652 5.144 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)no3)CCC2)cc1 1786366958 KUQNRHSUVBFEHJ-UHFFFAOYSA-N 459.546 5.072 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CCC2)cc1 1786370527 CTWSGQNVVMILEZ-INIZCTEOSA-N 485.506 5.526 30 20 JKED Cc1nc[nH]c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#Cc4ccccc4)cc3)CCC2)cc1 1788774964 PHCRMFHQUWIKAG-UHFFFAOYSA-N 474.564 5.179 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cc[nH]c5c4)cc3)CCC2)c1 1788914269 GXLCOOLVTPKYJX-UHFFFAOYSA-N 464.525 5.110 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccc(Br)cc34)cc2)CCC1 1789194477 WPOBFEHKMHMSQL-UHFFFAOYSA-N 466.379 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CNc4ccccc4O3)CCC2)cc1 1789453776 FITBSEGTAVLZOR-XZOQPEGZSA-N 459.590 5.152 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1789514854 IGLHJERKIJZKFZ-AJBULDERSA-N 494.595 5.805 30 20 JKED Cc1ccc2c(/C=C/C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)c[nH]5)cc4)CCC3)c[nH]c2c1 1790149330 QLYYGVAJYNKXTL-ONNFQVAWSA-N 463.541 5.137 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)Sc3ccccc3)CCC2)cc1 1790563621 PAPDAZQNDBYGGZ-MOPGFXCFSA-N 453.608 5.102 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3csc(-c4ccccc4)n3)CCC2)cc1 1790567521 JPRZNDDHOMUCPM-GOSISDBHSA-N 476.602 5.359 30 20 JKED Cc1cc(Br)ccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1 1790629530 IUKGFHCWCJEEJX-UHFFFAOYSA-N 477.362 5.019 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccncc5)[nH]n4)CCC3)cc2)c(Cl)c1 1790767906 QDANZANQUBRYDR-UHFFFAOYSA-N 496.958 5.058 30 20 JKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1O 1790773998 IPNQTJOOXGOURY-LJQANCHMSA-N 483.568 5.479 30 20 JKED Cc1ncc(CC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)s1 1790787365 IJLLQPIUOPOHSO-UHFFFAOYSA-N 498.530 5.332 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cnc(CCCCC)s3)cc2)CCC1 1791075571 ZRHVUTAEWWKLCX-UHFFFAOYSA-N 469.651 5.606 30 20 JKED C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1)Oc1ccccc1 1791145902 OXNDUNOVQQICHU-HXUWFJFHSA-N 453.542 5.164 30 20 JKED C[C@H](Sc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1791834441 CARADGQDKRLFKA-KRWDZBQOSA-N 474.561 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccccc4O)CCC3)cc2)c1 1792127295 VCCUWYLVAYMHBE-LJQANCHMSA-N 453.542 5.010 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Br)cc3)CCC2)cc1 1792268668 WRZPUDZYIYMCSP-UHFFFAOYSA-N 483.406 5.156 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CCSCC4)cc3)CCC2)c(Cl)c1 1792353850 ITSAOWSUEBYGJG-UHFFFAOYSA-N 453.995 5.103 30 20 JKED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1795860618 TYAIMRKMBKGRAL-ACDBMABISA-N 471.479 5.053 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc(F)ccc3s2)c1 1798089100 KYEASHRHIYKGIJ-ZHHJKBAOSA-N 461.562 5.233 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)c(Cl)c1 1800691726 WWPPJORCECFDOC-REPLKXPHSA-N 483.955 5.677 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)(C)C)cc1)C2)c1ccc(O)cc1 1802416708 BAJYZDNQQYFXOX-JBXUNAHCSA-N 488.628 5.019 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1802491971 JDDXACQKGMACDN-GBXCKJPGSA-N 472.004 5.115 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1803081873 IYINLSDOFOAOQO-DHLKQENFSA-N 485.550 5.117 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc5occ(Cl)c5c4)CC3)C2)cc1 1804758042 SFDAGPTZNCMZAC-UHFFFAOYSA-N 490.003 5.435 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@H](C)c4cccc(NC(=O)OC(C)(C)C)c4)CC3)C2)C1 1804779481 NMNWBZNYBMJZDD-OAQYLSRUSA-N 495.664 5.335 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)C1 1804868770 OVWXBVYRYWNNIF-UHFFFAOYSA-N 452.639 5.313 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)CC2)C1 1805457214 ZSAJSKNWMMLJGC-UHFFFAOYSA-N 488.554 5.195 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC4(CCCN(C(=O)[C@@H](S)C(C)C)C4)CC3)ccc21 1806062699 DTAXDMBZBZCIFS-SANMLTNESA-N 491.701 5.614 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cc3cccnc3cc2F)[C@@H]1c1cccnc1 1808177187 NJMXWRFYETVREU-AMGIVPHBSA-N 488.607 5.010 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C1)c1ccccc1 1809154737 QNCRZUQBFXZUIW-LXFBAYGMSA-N 471.645 5.162 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1809195220 HRKVCFUBPQMLEA-NTKDMRAZSA-N 479.024 5.528 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809492518 ZMPCXZIHOSDCCT-FSJHIGLHSA-N 469.585 5.315 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1810505354 RREHTDCWEDTMOB-HYBUGGRVSA-N 480.008 5.793 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c1Cl 1811419531 HXFIGZFGKCTORR-UZUQRXQVSA-N 497.357 5.033 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1)c1ccccc1 1811722020 RSOBXZVLCVRUAG-ZDPZMXHYSA-N 498.602 5.242 30 20 JKED N#CCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2cccc3ccccc23)[C@@H]1c1cccnc1 1812043210 KKGFNXYNATVABJ-IADCTJSHSA-N 490.563 5.260 30 20 JKED Cc1cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)ccc2[nH]1 1812279147 QEPNOTPSDNKASE-TVIOGVOPSA-N 491.595 5.132 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1812591445 XPQFKCZHANCJGB-UTOLSJPLSA-N 467.613 5.589 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)[nH]n1 1814445252 GIMHJSCCULAVMH-JOCHJYFZSA-N 451.615 5.039 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)n[nH]1 1814687660 GTPQWTUSULBIPF-GOSISDBHSA-N 497.810 5.245 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4[nH]c(C)cc4c3)[nH]n2)c(O)n1 1816241468 GCJHVBGEMSZJSZ-DEOSSOPVSA-N 498.587 5.038 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1819363695 JIUBGKOVUNVDMG-SIKLNZKXSA-N 496.995 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)[nH]n1 1819554994 VSDLQLHMKWQVCX-HXUWFJFHSA-N 464.566 5.468 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)[nH]n1 1819555702 XAVNCHCUMUHKDT-MRXNPFEDSA-N 464.397 5.410 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccccc3Cl)[nH]n2)c1Cl 1820219321 QLRZHGIZLQGQEU-FQEVSTJZSA-N 482.371 5.137 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)[nH]n2)c1Cl 1820224047 XYEYMLQBLKAOSG-QHCPKHFHSA-N 487.991 5.046 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820236867 GAAPRNYHEWJMKW-ZEQRLZLVSA-N 490.579 5.095 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)sc3Cl)[nH]n2)cc1 1820548987 LRVGACFFPGLZMS-MRXNPFEDSA-N 474.373 5.269 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1)c1ccc(Cl)cc1 1821179017 NUMFZJBNTBBTLR-HXOBKFHXSA-N 475.980 5.239 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)n[nH]1 1821788372 NBTJCUSPMACPDK-LAUBAEHRSA-N 474.527 5.114 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1)C(F)(F)F 1821992291 XIYZFPNMHMDHOD-KRWDZBQOSA-N 493.873 5.143 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1ccccc1 1822044546 IKNCHWAZYZMOIX-SBUREZEXSA-N 475.980 5.434 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823303553 RYGDZTGQBOLFBU-WMZOPIPTSA-N 473.401 5.116 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCC(F)(F)C2)CC1)c1ccccc1 1823694710 ZGELBZTUOMBBHH-CCDWMCETSA-N 470.604 5.239 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1 1823752432 SGMBXBDTOCLDSI-HYBUGGRVSA-N 456.593 5.516 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1823812542 TVXJWKCGRCBZOD-MUUNZHRXSA-N 498.671 5.025 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824389496 OFDPIRMWHXGOOK-CYFREDJKSA-N 496.076 5.626 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1F 1824457526 MEJBTNJNEBUQAX-AREMUKBSSA-N 479.571 5.011 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1824507910 RZKQFTITLQJXKE-NTKDMRAZSA-N 491.657 5.274 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)CC1 1825890780 OZGVQMNIZZSIGQ-SIKLNZKXSA-N 463.544 5.102 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Br)c4ccccc4c3)CC2)CC1 1827533659 MMDPNHFAZQPQNI-QHCPKHFHSA-N 494.433 5.139 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828510234 RMWCKDYFIZHSHX-SBUREZEXSA-N 475.555 5.632 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cnc2C)CC1 1828822927 NUBHREYMPMBMFC-FYYLOGMGSA-N 488.470 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccc(OC)cc2)CC1 1828824448 LBMPHFJLQXBRPC-LPPUWEFUSA-N 452.639 5.187 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCCC)cc2)CC1 1828827240 KOHFSHSCELFEOL-IZZNHLLZSA-N 452.639 5.477 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828908720 UHYTXDYVJBZXSG-WNCULLNHSA-N 491.752 5.598 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829069147 LZHBKKYUYVDYEG-JOCHJYFZSA-N 456.030 5.437 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829578753 BDZASTDJZVEZKF-QHCPKHFHSA-N 459.615 5.096 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1830073392 SSZZDKAWUHFHLT-JIPXPUAJSA-N 457.618 5.423 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc4cccnc4cc3F)CC2)c1 1830290122 UXBCHONLOCMZID-MUUNZHRXSA-N 498.602 5.030 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1830448170 XXWSINHZQXHWAM-GDLZYMKVSA-N 492.623 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)cc2F)CC1 1830510972 LSSROIJTXGRDGA-JOCHJYFZSA-N 450.545 5.330 30 20 JKED COc1ccc(C2(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)CCC2)cc1 1830632488 OXFOABJSYNMNRS-MUUNZHRXSA-N 499.655 5.116 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1830765742 XXPZPVKGARRBMT-YLUWWHAYSA-N 480.612 5.295 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1831374334 OANIQWNSOQMJOH-WXVAWEFUSA-N 487.644 5.384 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1831531567 XVGJDUAXNXSUEJ-RXFWQSSRSA-N 461.581 5.043 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831852689 ZBJUZCMVAWOXSV-BVAGGSTKSA-N 494.079 5.664 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSC3CCCC3)CC2)c1 1832628835 CRPIXVLKWCRGJC-NLFFAJNJSA-N 467.679 5.223 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)c1 1832629391 OXTOGOBKTIIADX-ZTOMLWHTSA-N 483.656 5.278 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)CC1 1832978849 BFCSKZLJCOEMQJ-GJZUVCINSA-N 478.700 5.403 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cccc(CCCCC)c3)CC2)CC1 1838373956 VRDXTTDJUZXMFA-LJAQVGFWSA-N 494.720 5.729 30 20 JKED C#CCCCC(=O)N1CCCC12CN(C(=O)[C@H](c1ccc(OCc3ccccc3)cc1)C(C)C)C2 1846374683 IUDURQSKILAWKE-NDEPHWFRSA-N 472.629 5.012 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)c1 1846830695 VXNPROMIZQGAOF-IBGZPJMESA-N 485.534 5.390 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nc2sc(C)c(C)c2c1=O 3470554 YMRKUHLOPAWYFS-LLVKDONJSA-N 469.419 5.082 30 20 JKED C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OC 9814234 VKQVFGLXLFQJQG-STMXVASLSA-N 484.763 5.804 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nnc1-c1ccc(F)cc1 10498141 TWSYGDOVTJAULZ-GOSISDBHSA-N 450.583 5.190 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)C(=O)Nc1ccccc1C#N 10822352 ZYKXQDADPSUKLJ-AWEZNQCLSA-N 498.395 5.884 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11082874 IKSOJFRRRBIBHL-UHFFFAOYSA-O 483.632 6.680 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 11261055 UFHFKFQZCRWDRA-UHFFFAOYSA-O 481.641 6.241 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(F)ccc2F)nc2scc(-c3cccs3)c2c1=O 16986874 YGSUIDAVYKVCJL-GFCCVEGCSA-N 489.594 5.770 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)cc1 18802536 HHYYOWGNBNUDOO-UHFFFAOYSA-N 453.523 5.339 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nnc1-c1ccc(OC)cc1 21991940 JTVPXDXCQSAGLR-UHFFFAOYSA-N 450.608 5.059 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nc3ccccc3c(=O)n2CC#N)c(C)c1 23537179 FHOGHKCKEHSNAU-UHFFFAOYSA-N 492.608 5.001 30 20 JKED C=CCn1c(C)nnc1SCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 23565882 OYWXMQPBICGGLA-UHFFFAOYSA-N 453.515 5.225 30 20 JKED Cc1nc(SCC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)c(C#N)c(C)c1C 24367777 ZOOQMIXXCIZSOS-UHFFFAOYSA-N 481.025 5.248 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 25302174 PJXUQAIFPGSJEX-UHFFFAOYSA-N 472.339 5.176 30 20 JKED C=CCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 25638627 GULBGVKRILUFNM-UHFFFAOYSA-N 496.683 5.741 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 26196178 DKWVEKOIHNMYGK-NSHDSACASA-N 466.708 5.395 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28649017 DRUUCEBDMKYGQK-UHFFFAOYSA-O 492.577 5.002 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccc(OC)c(OC)c2)n1 32787244 KQFKZPBWEBQARU-UHFFFAOYSA-N 464.616 5.488 30 20 JKED CCCCn1c(SCC(=O)Nc2cc(C)nn2CCC#N)nc2cc(C(F)(F)F)ccc21 109346498 VIYATCGCILEYBI-UHFFFAOYSA-N 464.517 5.005 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2ccccc2n1C(F)F 195557330 PRRJJDKBUKPAGO-GJZGRUSLSA-N 491.325 5.467 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccccc1F 217675589 ATQDWCAOMHWIDO-UHFFFAOYSA-N 476.581 5.194 30 20 JKED Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c2cccnc12 219057060 DBWLZWOONZHYTN-UHFFFAOYSA-N 452.539 5.398 30 20 JKED CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 254386622 VHMMGHRNVKYGHJ-UHFFFAOYSA-N 460.559 5.476 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)cc2)c1 303295364 BTWOZZWBEXOSPR-UHFFFAOYSA-N 452.470 5.518 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 409507462 NXCIXJFGJLVQFG-OAHLLOKOSA-N 474.374 5.396 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 480944823 HVHMTLSVORLIBJ-UHFFFAOYSA-N 485.515 5.182 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(Cl)cc1 481515570 FZCSMMMUESQSHK-DEOSSOPVSA-N 479.939 5.382 30 20 JKED COc1ccc([C@@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2ccccc2)cc1Br 485430408 VHXWRGNLTOFAEQ-VWLOTQADSA-N 495.421 5.023 30 20 JKED CCOc1ccc2nc(N(Cc3ccccc3)C(=O)CCc3c(C)nc(O)c(C#N)c3C)sc2c1 499167820 MCAQLGJBHGQOST-UHFFFAOYSA-N 486.597 5.450 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(C4CC4)n(-c4ccccc4Cl)n3)n2)cc1 501308224 IGOQXPIZXBXFSF-KRWDZBQOSA-N 475.961 5.420 30 20 JKED CN(C)Cc1nc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2c(-c3ccccc3)csc2n1 502318747 ODEUCTDLRGWHPV-UHFFFAOYSA-N 496.640 5.147 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 502645385 AIIYUBYCJJYBAR-UHFFFAOYSA-N 462.363 5.290 30 20 JKED C=CCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 502834812 YPNZXHZHNJPHOG-UHFFFAOYSA-N 495.670 5.058 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 508211982 VLAHSDOBDMXBRJ-QGZVFWFLSA-N 462.962 6.320 30 20 JKED COc1ccc(Br)c(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511337370 ITPDDHZSRHEFQU-UHFFFAOYSA-N 480.362 5.424 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 512359155 BRZUXRYZINVETG-UHFFFAOYSA-N 477.520 5.650 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 514640764 BQBFXJYWHOXPLG-OAQYLSRUSA-N 469.635 6.480 30 20 JKED Cc1sc2ncn(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c(=O)c2c1C 515241042 PYBMVVZMBPQPDZ-IBGZPJMESA-N 462.962 5.022 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)c2)c1 515994607 RLYIZPYRFXLXJW-UHFFFAOYSA-N 479.989 5.343 30 20 JKED C=CCN(C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C)c1nc(-c2ccccc2)cs1 516069684 CARXZADQQJVBAY-UHFFFAOYSA-N 497.546 5.788 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccc(OC(F)F)cc1 517502451 UMCCJMWXLLRCGD-AWEZNQCLSA-N 487.438 5.069 30 20 JKED COc1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1OCCCC#N 517547865 XMUVOIQQRRKEHF-VWLOTQADSA-N 483.381 6.159 30 20 JKED CCn1c(SCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)nnc1-c1ccccc1C 518207585 NFSSMIJOZDSPCR-KRWDZBQOSA-N 460.390 5.053 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 518755978 UHTQGVFMTYUYFH-HXUWFJFHSA-N 486.551 5.470 30 20 JKED C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1[C@H]1COc2ccccc2O1 519491941 RZZASGCPKUWYOJ-QGZVFWFLSA-N 453.474 5.009 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)cc2)c1 520197089 TYQBZCPROVUVDJ-GOSISDBHSA-N 475.936 5.282 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 520356405 QWJDWQOPDNIUTM-UHFFFAOYSA-N 488.012 6.665 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 522480235 LVNBIWBYGKESBK-UHFFFAOYSA-N 474.520 5.513 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 524379658 QEMKZXXCPISHOH-UHFFFAOYSA-N 472.835 5.586 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccc2Br)n1 553303185 AUQULOCHJVGOQN-ZDUSSCGKSA-N 488.436 5.359 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)cc1 591257443 RVKVEKLIANNZND-UHFFFAOYSA-N 482.580 5.342 30 20 JKED CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062981 NXWBIVXUWCMYAD-UHFFFAOYSA-N 468.962 5.227 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 609079214 PDYJDUXIJRPCQU-UHFFFAOYSA-N 473.548 5.455 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 609079763 KUASAAXQXLWUES-UHFFFAOYSA-N 494.570 6.257 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1Cl 609163958 DOSLUENTNMFLLY-SIKLNZKXSA-N 490.966 6.017 30 20 JKED C[C@@H](Sc1ncccc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N1CCCC1 609176636 UREGCTTZMBDQIB-GOSISDBHSA-N 472.570 5.101 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609207514 BIFODSSRZCULBM-UHFFFAOYSA-N 459.521 5.660 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2[nH]c3ccc(Br)cc3c2C1 609385492 RXXFNYFVCIIFKS-OAHLLOKOSA-N 483.435 5.321 30 20 JKED N#Cc1ccccc1COc1cccc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 609433266 PZUNULUPCAQYBH-UHFFFAOYSA-N 465.528 5.818 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc(Br)c1OC 609434178 AVGIDYGMZFSRPC-UHFFFAOYSA-N 482.334 5.452 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)n2)cc1 613319208 VYKCNRNTXMRUHE-HSZRJFAPSA-N 472.591 5.583 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1nc2ccccc2n1C(F)F 613401626 HBSMBKVYWMPAFD-LJQANCHMSA-N 496.583 5.710 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1)c1ccccc1 613403011 ANULUMXTLVVBTI-KSSFIOAISA-N 467.472 6.340 30 20 JKED C=CCn1c(SCc2ccc(OCc3nccn3C)cc2)nnc1-c1ccc(Br)cc1 614382040 ATJQOPTVFHRSRA-UHFFFAOYSA-N 496.434 5.498 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)cc1 615000047 XVSNBDVMNKLFQG-UHFFFAOYSA-N 468.376 5.163 30 20 JKED Cc1ccccc1-n1ncc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C(F)(F)F 618303003 HSHUFXCKZYZPPD-TXEJJXNPSA-N 473.339 5.402 30 20 JKED C=CCN(C(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1nc(-c2ccccc2)cs1 641902384 YKUJUQKKMQJMED-PXDATVDWSA-N 479.602 5.059 30 20 JKED C=CCn1c(S[C@H](C)c2nc(C)no2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 641994898 WLYBUOADYIUTJV-QGZVFWFLSA-N 468.586 6.199 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nccnc3-c3nc4ccccc4s3)n2)cc1 642281049 CTIDUQUNTDQMIM-MRXNPFEDSA-N 453.552 5.675 30 20 JKED N#C[C@@H](C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281752 IHFUDNQTXHZFDY-IBGZPJMESA-N 480.376 5.817 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 726401600 UDTZQQVIKOHKCH-DNVCBOLYSA-N 479.524 5.091 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(C3CCN(C4CC4)CC3)C2=O)cc1 726420396 LOLAYGLPRZWGNP-CBECUCKHSA-N 496.702 5.073 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CCCC1)c1cccs1 726420907 JVTUJDDJMBBOTL-RRZAIFFPSA-N 463.575 5.359 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(CO)c2)c(C)c(C)c1C 726570695 INSJZXLEJWJSCD-UHFFFAOYSA-O 479.025 5.548 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H](OC2CCCC2)c2ccccc2)n(C2CCCC2)c1C 727016893 MIKGQDASQFPSTK-RUZDIDTESA-N 463.578 5.274 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1c(F)cccc1F 727626587 DECMYEPMJXQCLT-CRAIPNDOSA-N 459.905 5.185 30 20 JKED COCCCn1c(NN=C2CCCc3nc(-c4ccc(C)cc4)sc32)nc2ccccc2c1=O 727648437 FDDWAPVBSYQFMU-UHFFFAOYSA-N 473.602 5.017 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 727995798 DUWYRXRWBAZFMD-UHFFFAOYSA-N 456.933 5.846 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3sccc3NC(=O)c3ccncc3)cc2F)c1 728192537 KAFLNHBRZQFTBK-UHFFFAOYSA-N 472.501 5.237 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2cccc3ccccc23)no1 728420978 LWBLGCIYPNBNIZ-XMMPIXPASA-N 495.564 5.168 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/CCOc3ccccc3C2=O)cc1OC 728441464 KMEOYWYJBTYOST-AQTBWJFISA-N 493.943 5.424 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CCCCC#N)c1cccs1 728778644 UEHZQTVBUQDRKU-VNJMFPOXSA-N 490.654 5.985 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1 729146680 WBUPLFCDZCKEPL-HXUWFJFHSA-N 482.606 5.368 30 20 JKED N#CCOc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)cc1 729242149 QENMTIBWCIQCKB-UHFFFAOYSA-N 465.481 5.182 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c1 729634180 JBXIFYDUFWEDQK-QHCPKHFHSA-N 494.567 5.391 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc(F)ccc2F)C1=O 729634840 VCWWBWUSJHROOY-QFIPXVFZSA-N 499.514 5.273 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCc3c(C)noc3C)C2=O)cc1 730445093 UNPXCLDKDZKNNA-QFIPXVFZSA-N 497.020 5.456 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1 730461566 PTWITDVLEQBTIM-FQEVSTJZSA-N 475.536 5.781 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O)Nc1cccc(Cl)c1Cl 730461642 QSMHBOXSSFCUMW-KRWDZBQOSA-N 484.355 5.784 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)c(F)c1 730535273 MCGBWSXZTMSMPP-SFHVURJKSA-N 476.371 5.043 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2cocn2)C1=O 730710917 UXLJGRUHYCHYGK-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(F)cc2)c(C)s1 730717836 SJVDOVAWLUCHRU-AUUYWEPGSA-N 483.594 5.016 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cocn3)C2=O)cc1Cl 730720887 XDAIWBJCQXKLLQ-LJQANCHMSA-N 489.384 5.450 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730942806 XLPQXRTVMFJRMZ-REWPJTCUSA-N 472.614 5.098 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)cc1 731066004 JGWHRXQKJVESHE-KRWDZBQOSA-N 479.627 5.981 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)cc(C)c2)cc1 731305862 HGBJJINQHCLBIN-XMMPIXPASA-N 489.597 5.178 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)s1 731307129 PPJILJBPJODVSQ-OAQYLSRUSA-N 483.590 5.316 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(Cl)s1 731310328 FSWTVXOBPJWJJB-LJQANCHMSA-N 486.018 5.576 30 20 JKED COc1cc(C)c(C(=O)/C=C\c2cc(Br)c(O)c(Br)c2)cc1OC 731317934 GDVOIFRMSNSQJV-PLNGDYQASA-N 456.130 5.139 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 746695444 GJBCCDQIIZTQFN-SFHVURJKSA-N 494.444 5.769 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC(Cc2ccccc2)Cc2ccccc2)cc1 746994106 ASFFFFGDKWDCDE-LJAQVGFWSA-N 473.576 5.251 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cs1 747615396 WWCGYKQIBFDVTP-GHXNOFRVSA-N 481.940 5.405 30 20 JKED CCNC(=O)COc1ccc(/C=C\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 750917857 YHIDWDPHXPVZCY-XQRVVYSFSA-N 475.385 5.144 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)cc1 799218792 GIPYQHRJZWTATR-KRWDZBQOSA-N 469.916 5.479 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)cc1 799218902 IERXKNXAZIQRRG-MRXNPFEDSA-N 455.889 5.171 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N([C@@H](C)c2ccccn2)C1=O 837832467 POHMFHYQQJAPAF-FDDCHVKYSA-N 474.586 5.120 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@H](C)Cc2ccco2)C1=O 914694638 QBNOCSBDPPCMDL-OPAMFIHVSA-N 498.004 5.533 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)c1ccc(Cl)c(Cl)c1Cl 914699734 UDDPQPNAXXMEFL-UHFFFAOYSA-N 470.769 5.074 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2SC(F)(F)F)n(Cc2ccco2)c1C 914946472 HAXOURNQMNFBFF-UHFFFAOYSA-N 477.464 5.025 30 20 JKED Cn1c(S)nc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc2c1=O 915103386 VAFMMERQTREVOR-AWEZNQCLSA-N 487.393 5.143 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccco2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915104105 KRONRDHRJMFBFN-GFCCVEGCSA-N 476.461 5.036 30 20 JKED COc1c(Br)cc(Br)cc1/C=C1\SC(=Nc2c(C)cccc2C)NC1=O 916140993 UATQUEPFVTWOHM-NVNXTCNLSA-N 496.224 5.729 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCc2ccccn2)C1=O)Nc1ccccc1 916204850 IVBYLBWDVAZTBE-NRFANRHFSA-N 482.968 5.077 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1C 916208271 YLQWLAXACSQOQK-LJQANCHMSA-N 461.509 5.445 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2nc(C)nc3sc4c(c23)CCCC4)cs1 916311794 IRYOPHXDLZOTDN-UHFFFAOYSA-N 497.049 6.119 30 20 JKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)[C@@H](C)Oc1ccc(C#N)cc1 916878921 BNQPMUSIHGULSY-GOSISDBHSA-N 466.493 5.345 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 916926322 XTFHYIXQOCECPY-QGZVFWFLSA-N 488.594 5.197 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1OCC 916938850 OEXSKCFJWXIJIA-HNNXBMFYSA-N 465.333 5.151 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cs1 917560762 YREBTLGOUFEQDG-LVAJTGTJSA-N 479.945 6.219 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@@H](C)c2ccccc2)c1 917611122 ZTMHCGCHZDKRON-FQEVSTJZSA-O 474.650 5.641 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(C)c1 917660361 CSHHJNZWKDKXOR-FQEVSTJZSA-N 493.551 5.319 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 917664679 LMDZFCSQWZQIKU-GOSISDBHSA-N 480.417 5.299 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccsc1 917665321 WCLPZSNMDUZBNF-FQEVSTJZSA-N 471.554 5.495 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccsc3)C2=O)c1 917665420 ZWFLWDFTLYTROS-QFIPXVFZSA-N 495.626 5.234 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 917668997 KJHBERYESKVVAW-FQEVSTJZSA-N 453.564 5.356 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC(F)(F)F)C1=O 917704638 VXVRXKPBFVQVRF-QGZVFWFLSA-N 480.899 5.043 30 20 JKED Cn1c([C@H](C#N)C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)nc2ccccc21 920103257 SMYZXGZUQJBPEJ-MRXNPFEDSA-N 474.351 5.773 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 920112019 VKQCBGPGPGNFKX-QFIPXVFZSA-N 464.308 5.405 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](C)c1cc2ccccc2o1 920200022 BZZZSUGAYGHXKI-YADARESESA-N 451.526 5.636 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)c(OC)c1 920367923 DQYYZDJGBTZCBK-UHFFFAOYSA-N 474.464 5.412 30 20 JKED O=C(C=NOCc1coc(-c2ccc(Br)cc2)n1)Nc1ccccc1Br 920486190 RZGHZGNLFAXWRA-UHFFFAOYSA-N 479.128 5.008 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3ccc(Cl)s3)n2)c1 920676075 KLCLFBOSOBFWFX-HNNXBMFYSA-N 474.007 5.634 30 20 JKED N#C[C@@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2c(F)cccc2F)cs1 920804311 PFLKMIXDCAAQIJ-HNNXBMFYSA-N 458.580 6.447 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 920871487 VBPZVIUKBBIDEB-QMHKHESXSA-N 497.567 5.361 30 20 JKED CCOc1ccc(O)c(C=Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 920943204 SEKNGLBYOXJWMG-UHFFFAOYSA-N 460.939 5.004 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(F)c1 921252474 FLEOZRGABWHZFL-OAQYLSRUSA-N 475.561 5.050 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1780956151 KCEZQFWKZVHPBD-ZJSXRUAMSA-N 498.973 5.255 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCSCc2ccc(C)cc2)C1 1782083319 AZUKBEGWAKTZFK-UFHPHHKVSA-N 486.722 5.125 30 20 JKED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)C2)C1 1782112614 SMVFBRVYXNOIGF-WJOKGBTCSA-N 496.607 5.269 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786076064 CLETZTFLWXAAPE-OFNKIYASSA-N 481.637 5.336 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccoc3C)cc2)CCC1)c1ccc(O)cc1 1787367470 VAULDDNNMBTNEM-NRFANRHFSA-N 456.542 5.239 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3CSc3ccccc3)CCC2)cc1 1787889316 VHNNROPEHDRQDV-UHFFFAOYSA-N 469.610 6.030 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4Cl)CCC3)cc2)c(C(F)(F)F)n1 1788358957 NFGHEHHSJGANQJ-UHFFFAOYSA-N 488.853 5.280 30 20 JKED Cc1nc2ccncc2cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1789248618 MJIRGZXEJAVBPA-UHFFFAOYSA-N 495.970 5.525 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4cccn4)nc3)CCC2)cc1 1789626619 ZAVGGQNKNARTEY-UHFFFAOYSA-N 457.578 5.007 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3C)cc2)CCC1)c1ccc(O)cc1 1789967669 AIEXQQLGQIDOFL-QHCPKHFHSA-N 481.596 5.349 30 20 JKED COc1c(Cl)ccnc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1790143831 PJWJLWZUOXHNEZ-QGZVFWFLSA-N 488.975 5.432 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C\C=C\C)CCC2)cc1 1790519095 FCFKYSKDLYKOQQ-JJTCTYJVSA-N 467.610 5.112 30 20 JKED Cc1noc(C)c1CC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785641 ZDJXJLCMTUKEBR-UHFFFAOYSA-N 496.489 5.172 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Cc4ccncc4)cc3)CCC2)cc1C#N 1791039873 NXJMKSMGQYKMLH-NRFANRHFSA-N 496.611 5.367 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1 1791104414 LZRJIHQXNWDZNU-UHFFFAOYSA-N 497.595 5.292 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CC3)cc2)CCC1 1791182587 NBEUPRKHXUODFY-SFHVURJKSA-N 467.997 5.307 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3[N+](=O)[O-])CCC2)cc1 1791300830 DULDAOTUKDHPHQ-UHFFFAOYSA-N 475.517 5.032 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1)C(F)(F)F 1791304460 ARMBQFIDECUJPI-UHFFFAOYSA-N 455.436 5.208 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4cccc(Br)c4n3)CCC2)cc1 1791589229 MZEZZWPXRQNMDQ-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792209552 HOYMJGMQVJMKDY-BJKOFHAPSA-N 495.664 5.398 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)C34CCC(CC3)CC4)CCC2)cc1 1792240737 RSRDJUQAKZQMEN-UHFFFAOYSA-N 457.574 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)C2 1798338037 OGUZPFCEXIAZCK-YRPNKDGESA-N 479.846 5.052 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1sc(Br)cc1C)C2 1798592471 VLPMQHJWVKBXHP-MUJYYYPQSA-N 453.446 5.063 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)c1 1799145804 HAUFRPLMNDCZNE-KOUNCHBCSA-N 480.593 5.334 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802493322 VUOSWFYQLLMJHI-UCFCWBNQSA-N 468.041 5.537 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)[C@H]1c1cccnc1 1802493365 XKZFUCGLBDKEBK-RDPSFJRHSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1802502390 BWKBKQHOEVSGFU-JYFHCDHNSA-N 455.602 5.547 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1802503702 RVHFVLQKYPITJR-GHTZIAJQSA-N 477.527 5.314 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1802857531 MSDSHZVSISFRLR-RDPSFJRHSA-N 472.004 5.115 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccccc4)CCCC3)[C@H]2c2cccnc2)c1 1802871673 LCUBMATVVBWTEC-LBNVMWSVSA-N 492.623 5.093 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)C1 1805458333 IPBAAJZVPDDYMJ-UHFFFAOYSA-N 455.042 5.371 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1 1805858978 UKOPZVNHLYCXEK-LJQANCHMSA-N 482.049 5.237 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1807564837 JROLRLPMAZVIJC-HOFKKMOUSA-N 472.633 5.194 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)cc1 1809625364 WTXYVPKOZDVOOG-OEJREATGSA-N 484.644 5.074 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1810171134 DWQNYQOGMFBEQB-WWPJHQMMSA-N 494.639 5.540 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1810493986 AXFYPUOBPKJWFE-ZJSXRUAMSA-N 465.638 5.593 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1811221232 SCDWLDLORORQDW-NFBKMPQASA-N 454.014 5.355 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1811466339 KJCNMDIYDLXWMI-GAJHUEQPSA-N 476.379 5.041 30 20 JKED CCCCCc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)[C@@H]2c2cccnc2)cc1 1812955506 BDBKEQJCIQFURE-OIKPOIBNSA-N 481.706 5.017 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H]1c1cccnc1 1814106344 BGUUKRPVUZYRHP-HLADLETHSA-N 488.591 5.030 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817741328 GKHQLDYUMBPASQ-DEOSSOPVSA-N 487.604 5.069 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)ccc2c1 1818530745 NIFVIYGMDHYVHV-AFMDSPMNSA-N 492.583 5.513 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)[nH]n1)c1ccccc1 1819516433 RZTSIAAMURITTO-WURQHKLBSA-N 481.600 5.016 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(Br)cc2C)n[nH]1 1820315356 AURJEUBRMMXHHE-SWLSCSKDSA-N 465.417 5.060 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)[nH]n2)cc1 1821182321 NVBUANRUTMAJLJ-QHCPKHFHSA-N 486.963 5.230 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)[nH]n2)c(Cl)c1 1821277360 XCCWXTKAXITCPG-QFIPXVFZSA-N 490.926 5.175 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1)c1ccc(O)cc1 1822468441 SJJZUMKLPFVEGS-AHIKMHNJSA-N 488.613 5.080 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c(Cl)c1 1823185979 GCQPNWLWJPOLFN-QFIPXVFZSA-N 461.953 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2SCC)CC1 1823659206 BDYARQPJYKDNFK-QFIPXVFZSA-N 457.684 5.419 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)ccn1 1823682070 QNCFRCAXQFNVRF-AREMUKBSSA-N 486.660 5.117 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823685163 LWXJREAFNHCGQC-RUZDIDTESA-N 479.571 5.011 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823686135 OMLZNHPNAWJHSN-AREMUKBSSA-N 494.035 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CC2)CC1 1824932234 KUJCESPIWLTQQQ-JWQCQUIFSA-N 452.614 5.245 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)ccnc3Cl)CC2)c1 1825372237 WFBDETYZDKWHFP-JTSKRJEESA-N 482.987 5.048 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)c1 1826535522 YUEXVKLXCDXSDE-GCBXLJFKSA-N 455.602 5.260 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828152476 RPZJVFQFRZPRSD-DEOSSOPVSA-N 454.014 5.248 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 1828820770 FIUAVLIQYPFAQG-JWQCQUIFSA-N 452.614 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1828827300 UWZCVLKRIQRYMP-PZJWPPBQSA-N 497.989 5.756 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1828904445 XKKSLDKRMBWFLZ-HSZRJFAPSA-N 480.716 5.483 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1828906837 KHPLOYLFMTWGHO-RUZDIDTESA-N 498.143 5.496 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)CC2)c1 1828938142 RQLIEIPUZPNDPC-JYFQHNBVSA-N 499.680 5.435 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccccc3n2)CC1)c1ccccc1 1829032912 SJMROHMEKOTPEM-VAVYLYDRSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2ccc3c(F)cccc32)CC1 1829068144 HECJURUIAFPOLH-DEOSSOPVSA-N 467.629 5.393 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1)c1ccccc1 1829139934 PWTHIWYZNNXOOX-VWNXMTODSA-N 499.577 5.464 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829706665 UNDWUYKRKNMBHR-UUOWRZLLSA-N 454.611 5.044 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Br)c3F)CC2)cc1 1830016241 CGZLVOZOWFMHEQ-QFIPXVFZSA-N 498.396 5.007 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)cc1 1830570135 XALDXONGMYYXGW-DEOSSOPVSA-N 481.999 5.217 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)cc2n1 1830721669 SLUUCVDUOWWZOI-QHCPKHFHSA-N 490.991 5.208 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)CC1 1830802419 XROKYUXNALWNOK-LJQANCHMSA-N 485.934 5.022 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058894 HSHWKMDQTFNYLS-OZXSUGGESA-N 478.658 5.774 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1831446786 HNSLKACOUKAOTF-VFUOJUBFSA-N 485.575 5.021 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1831841474 ADMABDNSELMEQA-DCFHFQCYSA-N 487.669 5.453 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1831844803 WXUUTXCONPRPPQ-KOSHJBKYSA-N 454.611 5.044 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)CC1 1831858233 IZPYXHQMYMNHQL-VWLOTQADSA-N 499.026 5.964 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1832028500 QFCAKNBXVNSMPV-XMMPIXPASA-N 454.014 5.248 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ncoc4c3)CC2)c1 1832632371 OCUJVEWMLMBBHV-KBMIEXCESA-N 470.573 5.002 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)ccc2[nH]1 1832634034 NOEWDEWNPDJFRN-MMTVBGGISA-N 482.628 5.651 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSc3ccccc3)CC2)c1 1832635207 WWJSIDCTFWXQKN-LVXARBLLSA-N 475.658 5.339 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832991442 PJYBFTZUSCGJBA-YTJKGUGLSA-N 485.603 5.053 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC1CCC1)C2 1845227407 SKAVGEXGLANRGQ-QFIPXVFZSA-N 477.690 5.024 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(Br)c(C#N)c2)C1 1845459141 IWPVQAHMSBZCED-UHFFFAOYSA-N 474.443 5.134 30 20 JKED Cc1cccc(-n2c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccc(Cl)cc2)c1 8931378 RGTIYNNRPPINIX-HSZRJFAPSA-N 453.999 5.043 30 20 JKED CCCCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2scc(-c3ccc(F)cc3)c2c1=O 9357202 SRZYEPFSYSXSPJ-DEOSSOPVSA-N 486.638 5.211 30 20 JKED C=CCNc1nc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cs1 10071839 BUHIWTJBEQEETP-UHFFFAOYSA-N 455.150 5.150 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2ccccc2CC)c1 10174479 MDFQSTWHKUGYQK-UHFFFAOYSA-O 465.642 6.817 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](C)c2ccc(Br)cc2)n1 10399578 UPIAOHIGPKFOJK-NSHDSACASA-N 458.303 5.013 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)n(C2CCCC2)c1C 12481111 FOLYNNDYDAWZPK-UHFFFAOYSA-N 466.636 5.477 30 20 JKED COc1cc(/C=C2\CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)O)ccc1OCC#N 13343266 GWMHGPISVAWSJQ-PXLXIMEGSA-N 491.547 5.400 30 20 JKED COc1ccc2c(c1)CC/C(=C/c1ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c1)C2=O 15352472 FAXSNCPMCOYGON-UYRXBGFRSA-N 477.944 5.587 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Br)cc1 16832644 DOPISWQDXITRJG-AWEZNQCLSA-N 473.396 5.022 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 17733612 KOTZYRYQJPXFQW-SFHVURJKSA-N 460.433 5.296 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1 20047967 BOIUDBBEYIPVBD-KNTRCKAVSA-N 463.493 5.176 30 20 JKED C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nnc1-c1ccc(OC)cc1 21337183 MZZBDAOWDWBOEE-UHFFFAOYSA-N 486.557 5.445 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1-c1ccc(Cl)cc1 22137363 FTFGPSMIBRTLAE-UPCLLVRISA-N 484.025 5.131 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)nnc1-c1ccc(F)cc1 22217349 BACLGTYDOXAAFE-UHFFFAOYSA-N 452.555 5.230 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nc2sc(C)c(C)c2c1=O 23559530 YXJFXAPTHSEJSX-UHFFFAOYSA-N 483.615 5.033 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nnc1-c1ccccc1OC 23639816 XBBZURFPKYVQLG-UHFFFAOYSA-N 480.615 5.573 30 20 JKED C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccc(C#N)cc1 26111847 FBHPJOVAPBAUNW-CQSZACIVSA-N 474.369 5.157 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2sc3c(c2c1=O)CCC3 28393030 OLZMZMMXDSEEAV-UHFFFAOYSA-N 499.967 5.536 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)c1C 28793481 XNJYPHZXUORQMM-UHFFFAOYSA-O 476.666 6.087 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793605 JLECXAATYQIJCL-UHFFFAOYSA-O 466.602 5.609 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)no1 46861656 VLJGWJSHTGLCLL-OAQYLSRUSA-N 458.905 5.518 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 68734851 RGOFTUDEJQBSEP-UHFFFAOYSA-N 488.594 5.283 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ncc(-c2ccc(OC)cc2)o1 68814875 QHLCIYRRYDWUFY-UHFFFAOYSA-N 473.342 5.399 30 20 JKED O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 69611196 IEDHMGVNYJKYQO-UHFFFAOYSA-N 484.371 6.297 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 71990340 MCHJWAPBDOQIFR-UHFFFAOYSA-N 457.961 6.193 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccccc3SCCC#N)oc3ccccc23)s1 78668984 JABNVEQURXIHDA-UHFFFAOYSA-N 466.613 6.143 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nnc3cc(C)c4ccccc4n23)n(Cc2ccco2)c1C 115435763 FPEYSSCIYAEVGA-UHFFFAOYSA-N 484.585 5.243 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 116681828 PNBJGENBFUILGK-OAQYLSRUSA-N 498.505 5.795 30 20 JKED N#CCCn1cc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c2ccccc21 195551732 KNVJZVNJRXIZMX-UHFFFAOYSA-N 482.540 5.368 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccccc1F 195568862 IISPKDXJTLPRLK-DEOSSOPVSA-N 472.589 6.359 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OC(F)(F)F)cc2)cs1)c1ccc(F)cc1F 213188076 VWYVHUWZVBNBCC-UITAMQMPSA-N 468.403 5.901 30 20 JKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 303079922 UIXLJZQBXKPIFI-UHFFFAOYSA-N 450.358 5.049 30 20 JKED COc1ccc(Br)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 303170544 JBWBCNFRRGRNNB-UHFFFAOYSA-N 451.320 5.469 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481141783 VQMYSHSWNOHNPA-UHFFFAOYSA-N 486.330 5.180 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 485262265 SGJRENDZZFJFHN-OPAMFIHVSA-N 499.920 6.172 30 20 JKED C=CCN(C(=O)c1cccc(OCC(C)C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491053086 SLPHRTIEMGGVNR-UHFFFAOYSA-N 470.616 5.081 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccccc2SC2CCCC2)CC1 501139996 CTYVTLFYUXTMJA-UHFFFAOYSA-N 457.603 5.495 30 20 JKED Cc1oc2nc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)nc(NC(=O)c3ccccc3)c2c1C 501654165 DQDXEQOAZLEIGF-LJQANCHMSA-N 499.596 5.519 30 20 JKED C=CCN(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1cc(Br)ccc1F 502154068 GFELLSWFTUXJPC-UHFFFAOYSA-N 485.401 5.408 30 20 JKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1nc(-c2ccccc2)cs1 504061790 WKTVSJUGYPGLJV-CQSZACIVSA-N 478.628 5.708 30 20 JKED CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@H]1CCSc2ccc(Br)cc21 504572798 MLNFGYNFWSQJRH-FQEVSTJZSA-N 475.456 5.194 30 20 JKED N#Cc1c(NC(=O)CCN2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)sc2c1CCC2 507964152 IQWOFDBSPZQKNJ-IBGZPJMESA-N 491.444 5.237 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 510227447 IFSCTIOEPCARCM-UHFFFAOYSA-N 472.932 6.324 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(F)cc1 510328576 CLZOAVJYSRUGIT-UHFFFAOYSA-N 465.381 5.328 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 511321654 PZVQMWHVVXAPOY-RUZDIDTESA-N 469.541 5.472 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 511445014 YBDCJGHUJGXPSO-HSZRJFAPSA-N 484.947 5.109 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1)C1CCCCC1 513142655 FVPXKAQGRZCOSS-IBGZPJMESA-N 475.536 5.474 30 20 JKED N#C[C@H](C(=O)c1ccccc1Oc1cccc(Br)c1)c1ccc(C(F)(F)F)cn1 513175527 JCTCYGWEVUOGMX-KRWDZBQOSA-N 461.237 6.145 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 513223645 XNEDWFNVDYARQB-UHFFFAOYSA-N 493.283 5.317 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)nn2-c2ccccc2)cc1 513687389 RQMAAKCSYGJQLM-HXUWFJFHSA-N 450.523 5.648 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc(Cl)cc1 514357434 MUQKDOXURMIIQM-QAPCUYQASA-N 459.040 5.690 30 20 JKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 514575283 QWBCKVAUEPHEMH-LJQANCHMSA-N 450.995 6.192 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c([N+](=O)[O-])cc1OC(F)F 515449506 QLTPSAYEKKVPBT-UHFFFAOYSA-N 451.451 5.049 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 515860407 CDKCNFMSTBVJOQ-HXUWFJFHSA-N 485.371 5.693 30 20 JKED COc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 516010423 HTMQDNXMGSMSBT-SBUREZEXSA-N 461.949 5.162 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Nc2cc(C#N)ccc2OC(C)C)cc1 516382484 ZQKCCPDMHFCTTF-SFHVURJKSA-N 472.545 5.045 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(OCC)cc2)cc1 516445046 WZZHZFXBMAWGLD-UHFFFAOYSA-N 457.530 5.127 30 20 JKED CCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 516744044 XARGTAMWXLPETE-LJQANCHMSA-N 487.556 5.272 30 20 JKED CCC(CC)[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccs1 518191350 IQTOQALXFQZAGO-DEOSSOPVSA-N 461.587 5.431 30 20 JKED C[C@@H](NS(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1)c1ccccc1 518207445 KMOKUODBDOIOQL-VFNWGFHPSA-N 488.396 5.028 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1Cl 519413180 GWEDGIGJMBONSA-CYBMUJFWSA-N 490.079 6.226 30 20 JKED N#Cc1ccsc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 519947521 REMXUDNTHUWGJS-UHFFFAOYSA-N 463.360 5.416 30 20 JKED C=CCN(C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 520938326 UEQJAFBHFZBFDM-GOSISDBHSA-N 491.646 5.668 30 20 JKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2Cl)n1 520957980 QMTABNFOKYBJIC-HOYKHHGWSA-N 493.995 5.267 30 20 JKED CCC[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N1CCc2sccc2C1 520965114 YSHMOSFSZSICKT-VWLOTQADSA-N 459.615 5.042 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 521805965 QVSDBSPVZIXSCP-OAHLLOKOSA-N 476.583 5.205 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(OC2CCCCC2)cc1 521813227 AARCVKFYHKCRJJ-GOSISDBHSA-N 451.592 5.047 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1 559851688 ZNFPJSIONMHXFI-QHCPKHFHSA-N 487.506 6.022 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 560856659 FRXDEFBGRVVPGQ-SELNLUPBSA-N 473.598 5.468 30 20 JKED CN(C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1)C1(C#N)CCC1 573671212 SMRXRWIZWVYDEO-UHFFFAOYSA-N 494.016 5.254 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2Br)nnc1-c1ccc(Cl)cc1 589071298 GADJPYDTFVDZBS-UHFFFAOYSA-N 493.814 5.286 30 20 JKED O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 594261536 WONKHRCOOWXXPG-JMSVASOKSA-N 472.401 5.415 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)n1 594739765 LWTMIIZEZHVZQS-HXUWFJFHSA-N 494.542 5.802 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)c2)cc1 603814598 MEIJEBMRELKRAO-UHFFFAOYSA-N 477.446 5.183 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccc(Br)c3)cn2)c1 603831092 LKIAEXXIVFEUET-NRFANRHFSA-N 463.335 5.877 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 603900663 PQXUWNIRTCODBK-AWEZNQCLSA-N 454.427 5.008 30 20 JKED COc1cccc(CN(CC(C)C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 604500591 VUKUNBSPAGBUMP-UHFFFAOYSA-N 457.574 6.030 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H]3CCOc4c(Cl)cccc43)cc2Cl)c1 609088587 AHPHIXYGUJLTPQ-OAQYLSRUSA-N 496.350 5.023 30 20 JKED COc1ccccc1-c1nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1 609104288 HPOUECHPEYHEGL-UHFFFAOYSA-N 459.502 5.661 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3sccc3OC(F)F)s2)c(C(F)(F)F)c1 609216961 XVJPIUZDDRZXBJ-UHFFFAOYSA-N 459.421 5.540 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2nc3cc(Cl)ccc3s2)cc1 609326814 RDAKEAVJOREPHI-UHFFFAOYSA-N 461.974 6.166 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Br)o1 609377581 XUUXMRPIJIDJNQ-OAHLLOKOSA-N 470.392 5.927 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)cc1 609400116 KUWGOLKVFNRUQQ-JXQFQVJHSA-N 451.636 5.904 30 20 JKED C[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609402095 DJVTWSBNNCXHJP-CYBMUJFWSA-N 453.461 5.008 30 20 JKED CN(C(=O)CSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C)C1(C#N)CCCCC1 612646100 OISWCTQCWJQDGQ-UHFFFAOYSA-N 487.050 5.092 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 613403937 LMKRTNBDAZJEHK-ZDUSSCGKSA-N 468.884 6.256 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1[C@@H]1COc2ccccc2O1 645077649 UVGZNIGUIXOXSQ-NRFANRHFSA-N 464.591 5.005 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(Br)cnc3Cl)c2)cc1 725886720 KYZGDHKHXNJZQZ-UHFFFAOYSA-N 456.727 5.395 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C)s2)cn1 726117054 QJPPGDVCCSXJSK-NRFANRHFSA-N 481.647 5.050 30 20 JKED Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 726230358 MLOSEBAKKNVPBA-UHFFFAOYSA-N 462.575 5.319 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 726319270 DTEKEENESFCJPD-OAQYLSRUSA-N 470.504 5.423 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(Br)cc4)CCOCC3)n2)cc1 726321085 ABKAYWZXGLCUSV-HXUWFJFHSA-N 481.415 5.806 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1ccc(F)c(Cl)c1 726321289 GRXXMRQWYJWSBJ-HNNXBMFYSA-N 481.858 5.511 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 726400184 OWOWTHDXOOSEJC-SCLBCKFNSA-N 498.407 5.518 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2C2CCCC2)c1 726409359 AGEBUBOVDZFUTR-OAQYLSRUSA-N 496.976 5.132 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)cc1F 726413497 YCHZGHXKMDILNK-IVZQSRNASA-N 499.539 5.158 30 20 JKED Cc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2sc3ccccc3c2C)cc1 726569699 HTMIATNDQGPSIJ-UHFFFAOYSA-O 460.604 5.312 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(CC(C)C)cc2)cc1 726570680 IIVXEWBLDJRNBK-UHFFFAOYSA-O 477.053 6.583 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(C)=O)C=C2)[n+]2ccc(C(CC)CC)cc2)c1 726572943 RDPOTSBNPDQEGL-UHFFFAOYSA-O 484.645 5.953 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 726696836 WIXKVOHFBSDFOW-WIOPSUGQSA-N 481.531 5.943 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1[N+](=O)[O-] 726731034 CVIUNAHJKWDMEZ-GHTZIAJQSA-N 494.960 5.161 30 20 JKED CC(C)(C)Sc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 726777250 HPHKZGGIDINKIE-UHFFFAOYSA-N 475.639 6.432 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)c(C(F)(F)F)c1 727362415 NQJPGIBKVFBVOI-OAQYLSRUSA-N 460.477 5.044 30 20 JKED COc1cc(/C=C/C(=O)c2sc(-c3ccc(Br)cc3)nc2C)cc(OC)c1O 727779990 DNWSKVSVUQOFHB-RUDMXATFSA-N 460.349 5.500 30 20 JKED CNC(=O)c1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C2CC2)cc1 728119502 OFVPMVMMZFMDAU-UHFFFAOYSA-N 468.557 5.002 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 728298660 HVWSLELVBUTCPZ-AWEZNQCLSA-N 468.872 5.277 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 728422243 FUJHRAJXJUSPHR-KOSHJBKYSA-N 483.597 5.237 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 728424278 XNVXJYYNBMOKDI-YADARESESA-N 483.597 5.292 30 20 JKED N#Cc1ccc(SCC(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cc1 728456588 LWXSAAHGZIUXOX-UHFFFAOYSA-N 467.344 5.271 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)cc1 728779426 ZQZHWCGLQBMECE-OAQYLSRUSA-N 485.009 5.393 30 20 JKED Cc1ccc(CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C(C)C)s1 729035253 ZQEHFSRWJXTTBH-LVWGJNHUSA-N 476.668 5.092 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 729631454 NJRKPUBFCFNPIN-QFIPXVFZSA-N 496.995 5.651 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ncccc2C)cc1 729634924 WYNMPCVXGIKGEA-XMMPIXPASA-N 488.613 5.122 30 20 JKED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)cc1 729892404 XYRKKJHPHHJPAV-MRXNPFEDSA-N 491.794 5.007 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 731068794 IPMPZIDONHCLNB-QGZVFWFLSA-N 491.544 5.125 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731073423 WDOYAJMNJFIKGW-MRXNPFEDSA-N 497.020 5.261 30 20 JKED COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c(F)c2)cc1 731076809 BGEQNEQGAQKEEV-QGZVFWFLSA-N 478.545 5.549 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 745991563 YRYBKXBSWPETFN-LJQANCHMSA-N 498.407 5.519 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCOC(C)(C)C 746697990 RHCCQIKSZSGAPB-FQEVSTJZSA-N 490.025 5.124 30 20 JKED C=CCn1c(S)nc2cc(C(=O)N3CCC(c4cccc5ccccc45)CC3)ccc2c1=O 746889636 CCAJBOYXFKIEJL-UHFFFAOYSA-N 455.583 5.044 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)cc1OCCCC#N 747473177 WSKIJSCPHWDFLA-UYRXBGFRSA-N 476.526 5.385 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 748176737 XMNGSTUFSWRFPE-FQEVSTJZSA-N 465.410 5.333 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 748619413 QBKWKDLGHQNAJM-OAQYLSRUSA-N 453.933 5.706 30 20 JKED CC[C@H](C)n1c(SCC(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 750254331 AMKWNTUJWGVXGJ-HOTGVXAUSA-N 498.008 5.104 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3cccc(F)c3)s2)ccc1S(=O)(=O)C(F)F 750909795 NUOHCCPMECJIQJ-SOFGYWHQSA-N 452.475 5.455 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)n(Cc2ccc(F)cc2)c1C 757969298 DHDKVQUSTWZEOM-UHFFFAOYSA-N 486.547 5.150 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1C 802702468 JJGYUXRXVBPFQX-UHFFFAOYSA-N 467.978 5.113 30 20 JKED O=C1Nc2cc(OC(F)(F)F)ccc2C1=NNc1ncnc2sc(-c3ccccc3)cc12 915048550 SQKVQLFSDPXTPT-UHFFFAOYSA-N 455.421 5.025 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC4=NS(=O)(=O)c5ccccc54)cc3)n2)cc1 915102193 UJKVIBLYWJQRJA-OAQYLSRUSA-N 498.589 5.170 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc(-c2ccc(Cl)cc2)cs1 915102399 YGBBMECAFHEMAO-QGZVFWFLSA-N 469.900 6.206 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103526 WOABNXSPZWBQTQ-MRXNPFEDSA-N 469.353 5.976 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CC2CCC2)C1=O 915116193 DJQXZZGLARLLQW-FQEVSTJZSA-N 457.983 5.109 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)cc1 915862107 JFBHZLAORKOVRP-RUZDIDTESA-N 453.542 6.421 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)c1 916156609 VSFQSUMBCJLNMZ-SQHAQQRYSA-N 451.570 5.450 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3Cl)N(C3CC3)C2=O)cc1 916213183 BCQNRBVRIDJECN-LJQANCHMSA-N 476.385 5.319 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1F 916217500 OKFRBKWVUXIBOU-JPYJTQIMSA-N 477.561 5.118 30 20 JKED COc1cc(C=Nn2c(C)nc3ccccc3c2=O)ccc1OCc1ccc(Cl)cc1Cl 916293104 YLFJAJLUVIIMNA-UHFFFAOYSA-N 468.340 5.482 30 20 JKED CCCOc1c(Br)cc(Br)cc1C=Nn1cnc2sc(C)c(C)c2c1=O 916310984 UPQAKTUQZOAYGS-UHFFFAOYSA-N 499.228 5.271 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916927659 ALYMWPHECHEMQF-SFHVURJKSA-N 472.328 5.067 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 917673351 BPYOFFNBJKDASQ-JOCHJYFZSA-N 474.542 5.064 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1F 917674934 AHBDWUXUORXEKI-IBGZPJMESA-N 457.527 5.187 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(F)c1 917977064 CUBNGMBWEFIIFS-QFIPXVFZSA-N 491.979 5.403 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)c1 918126451 BMGOAJVTGBCYNC-JYFHCDHNSA-N 452.558 5.533 30 20 JKED C[C@@H](c1nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=S)n1-c1ccc(F)cc1)N(C)C 918734202 WLLYWYYXXBIINN-MELADBBJSA-N 499.500 5.185 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1NC(=O)c1ccccc1F 920105931 NVCCLNNYTQRMOY-FQEVSTJZSA-N 453.473 5.382 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)c1 920170168 KEUXXTHUCXBQJW-QFIPXVFZSA-N 491.569 5.064 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2nc(C)cs2)n1 920328069 NSPXLONRXRVMEL-AWEZNQCLSA-N 483.596 5.613 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 920806183 IFDGDTZKTZWYSG-INIZCTEOSA-N 483.590 6.636 30 20 JKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(Cl)c1 920891682 BZPLKTDGGHFUKC-IBGZPJMESA-N 478.980 5.535 30 20 JKED C[C@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)N(CCC#N)c1ccc(F)cc1 928967360 ONELUXDWIUTIRF-CVDCTZTESA-N 478.593 5.296 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1-c1ccccc1C)C2 1779510475 AKCMDOAAJMKDIS-FYBSXPHGSA-N 489.660 5.177 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)C1 1781673984 NOORORCXMFJJRS-YIXXDRMTSA-N 487.084 5.268 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCCC4(F)F)cc3)CCC2)c1 1786466082 ODUSCBVUJKOFIJ-QFIPXVFZSA-N 467.516 5.140 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cnccc4C(F)(F)F)cc3)CCC2)c1 1786782367 DMVBVXWNVVKKNC-UHFFFAOYSA-N 492.501 5.353 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789024385 RKZFUDKQYVIKTE-SFHVURJKSA-N 493.563 6.135 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)CCC2)cc1 1789457823 AYVRCCJQKYCVOK-NRFANRHFSA-N 496.533 5.869 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5occ(-c6cccnc6)c5[nH]4)cc3)CCC2)CCC1 1789993977 KSDNULJITDUOMI-UHFFFAOYSA-N 479.540 5.264 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)on4)CCC3)cc2)c1 1790256129 CQDAYLLMKNQPDD-UHFFFAOYSA-N 462.509 5.275 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccnn45)cc3)CCC2)cc1C#N 1790849094 ZZONEXNDKDBVJU-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]nc(Br)c4c3)CCC2)cc1 1791250605 WRYWNENBXWUIIK-HNNXBMFYSA-N 481.394 5.285 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3)CCC2)cc1)C(F)(F)F 1791305729 PKQLPXUFCRKLNV-UHFFFAOYSA-N 458.480 5.342 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)cc2)CCC1 1791451119 FZRWVQMMEJAFCM-HXUWFJFHSA-N 491.579 5.122 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CCC2)cc1 1791583553 KQQLADGAFMLKNX-UHFFFAOYSA-N 467.491 5.738 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)OCc4ccccc4)[C@@H]3C)CCC2)cc1 1791593461 UDDFJIDAFGDHSK-BWKNWUBXSA-N 489.616 5.134 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792240402 ASLGJIIBAKOWQM-UHFFFAOYSA-N 495.535 5.145 30 20 JKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)COc5ccccc5C#N)cc4)CCC3)c2s1 1792240839 WDIAQQCCXQZIPA-UHFFFAOYSA-N 496.592 5.303 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cc(F)cc(F)c1 1796500430 FDEHXVXQJZXKCJ-BJESRGMDSA-N 465.544 5.047 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cc(F)ccc2OC)cc1Cl 1799319569 ZNHFSBFEFUWNLA-DVWBAYGPSA-N 484.999 5.619 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2occ(Cl)c2c1 1799326532 SQYXKHIEZYWADG-ACDBMABISA-N 471.073 5.389 30 20 JKED CC1(C)CCC(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Br)c(C#N)c2)CC1 1800634599 NJPCPFKSCQDOIR-WKCHPHFGSA-N 486.454 5.179 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1800702939 UBMLCBMUXGTUHN-HYOIWIKGSA-N 495.664 5.293 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1803087521 CMRFHEPGQVFSGK-UPRLRBBYSA-N 469.629 5.053 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)Cc3cc4ccccc4n3C)C2)CC1)c1ccccc1 1805311997 QBBMARPIEOYPAJ-NDEPHWFRSA-N 495.667 5.149 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccncc3-c3ccccc3)CC2)C1 1805456175 DEJHJUGZLAZAFE-UHFFFAOYSA-N 457.618 5.362 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc(OC)ccc4o3)CC2)C1 1805457016 QUEAUVOOSJGCAY-UHFFFAOYSA-N 450.579 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4nc(C(F)(F)F)[nH]c34)CC2)C1 1805457092 SKTJZPPDPFMMMM-UHFFFAOYSA-N 488.554 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1805687136 MZPFAITUFLBQKU-SGIRGMQISA-N 463.622 5.369 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1809211574 DBSOBAGBPWKHEX-FUFSCUOVSA-N 496.655 5.389 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1810175214 XMLZVQKISRFDQF-OTPAQWSUSA-N 477.008 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCNc2ccc(C)cc2C)[C@H]1c1cccnc1 1810369120 IBOBSWYJLCIEFS-SHQCIBLASA-N 476.665 5.199 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810953795 REQGMZWMWXXBOV-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1811466344 KJCNMDIYDLXWMI-UZUQRXQVSA-N 476.379 5.041 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811939349 HPDPPBDNTCXUAT-HYBUGGRVSA-N 493.394 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3[nH]c(C)cc3c2)[C@H]1c1cccnc1 1812277291 KKNNLGINXGVTMN-RCZVLFRGSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2Br)[C@@H]1c1cccnc1 1812592632 RLBUTKGAMRPISZ-LUQKVYGDSA-N 490.829 5.029 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1813968519 UBVALJBHRMUIHV-CVDCTZTESA-N 489.513 5.328 30 20 JKED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2c2cccnc2)CCC1 1813977631 NKIRCLHXNSPTFS-FOIQADDNSA-N 491.806 5.055 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)[nH]n2)cc1 1814381407 PQRRUTZIGSAPOW-RUZDIDTESA-N 481.600 5.028 30 20 JKED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)CC2 1814501296 CTOQHSKXVFZXIK-IBGZPJMESA-N 496.592 5.618 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1814830446 ZJKOZIORLSWKCX-HSZRJFAPSA-N 498.587 5.620 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1815215097 DTQRDUULXVAJSZ-HOYKHHGWSA-N 476.552 5.113 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815218403 IIUWAKNWGDPZRZ-ODOSVJCGSA-N 473.017 5.086 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)c(F)c2)n[nH]1 1817766379 ZJRNNHZXOOLVDC-NFBKMPQASA-N 499.587 5.010 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(F)(F)F)c[nH]2)n[nH]1 1818204842 HSEZRJZJFCZUOP-QGZVFWFLSA-N 451.493 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncccc2-c2ccccc2)n[nH]1 1818308634 ABILLECKAORMJV-XMMPIXPASA-N 469.589 5.546 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985604 VDNCIFJJGDCFDF-VBKZILBWSA-N 473.499 5.428 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1)c1ccccc1 1819520663 OUHOKFJSFYCTBF-WNCULLNHSA-N 491.595 5.461 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3sccc3Cl)n[nH]2)c1Cl 1819957437 MNABLSWLIJTASZ-INIZCTEOSA-N 474.373 5.269 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1 1820903092 DWQOMXUIZAPKNF-AGOBFMAKSA-N 499.656 5.008 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)[nH]n2)c(Cl)c1 1821274249 AACXNEAGVFPMOJ-LPHOPBHVSA-N 475.927 5.066 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1 1821274381 FMRHWERLSLFFDH-HJPURHCSSA-N 491.979 5.053 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1ccc2ccoc2c1 1821454214 OCHDUNJKYGGSIL-JOCHJYFZSA-N 472.932 5.167 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)[nH]n1 1821925026 LBYZLMRPODKSMJ-UTKZUKDTSA-N 492.542 5.649 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@H](C)CC)[nH]n1)C(F)(F)F 1821989568 NPGDAHVJXWUAHR-MFMILTCTSA-N 462.516 5.350 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1F 1823210543 HBKIHZBTHOLESX-UQBPGWFLSA-N 487.579 5.423 30 20 JKED COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1Cl 1823243273 TZIARNFTTSSYQA-IBGZPJMESA-N 498.370 5.216 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823290785 DTGLXOZBXVKABX-FQEVSTJZSA-N 477.590 5.058 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)[nH]n1)NC(=O)OC(C)(C)C 1823347683 FPQZAXHSYXGDIC-KCZVDYSFSA-N 499.656 5.030 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)c2c1 1823681884 CWYWHOWFCFUYRW-GDLZYMKVSA-N 496.655 5.143 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)cc2c1 1823682760 BKIPRBQHZNQGNP-MUUNZHRXSA-N 482.628 5.214 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)CC1)c1cccs1 1823937672 ZXBQKCZQYKZHKV-MHNQQFQPSA-N 489.012 5.213 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccc(Cl)cc1 1823978254 YADCZABIUIYWRG-BVZFJXPGSA-N 481.999 5.388 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cnc4ccccc4c3)CC2)c1 1824047615 VLYVGHFFSYTBRC-LJAQVGFWSA-N 494.639 5.281 30 20 JKED O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCCC[C@H]1C1CCN(C(=O)C(F)(F)C(F)F)CC1 1824839174 GAJIKPFCWJMAPF-DVBCCOPCSA-N 494.451 5.239 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2Cl)CC1 1824878689 QADXAOSOLUGXNV-UPVQGACJSA-N 461.021 5.410 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncoc3c2)CC1)c1ccccc1 1828298264 RMVMKVAKDJFZRL-AHKZPQOWSA-N 483.612 5.258 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828507889 GUFDQLNZKYKBAH-RUZDIDTESA-N 495.461 5.639 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)cc12 1828577976 UPTHVDCAUJWVRZ-MHZLTWQESA-N 468.601 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1828823046 NYZGGUVSALFFSR-CLJLJLNGSA-N 452.639 5.016 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828908708 UHYTXDYVJBZXSG-HOFKKMOUSA-N 491.752 5.598 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1829066831 VWUZXECNIHSRNZ-XMMPIXPASA-N 453.602 5.533 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(=O)OC(C)(C)C)CC1 1829068226 LFGUGDGEMIWRPQ-JOCHJYFZSA-N 462.675 5.111 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cccc2F)CC1 1829887666 AHCZJHXZMJJZFB-HSZRJFAPSA-N 474.668 5.249 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)c1 1829955210 YYVAZCZJWYZKAU-WWUMMRACSA-N 461.650 5.398 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(Cl)c1 1830720820 IJTRWRDMEJVXML-HSZRJFAPSA-N 488.390 5.551 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3)CC2)cc(C(F)(F)F)c1 1830754756 HGOMCTZHKSDDEB-VWLOTQADSA-N 497.561 5.443 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c1 1830910602 KCWZBKQAEOHLTG-RXFWQSSRSA-N 469.585 5.607 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1831015719 XGJIOCRLKBKCNH-XZOQPEGZSA-N 483.056 5.298 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1831374409 DHZZMDJCBJJVRZ-WAIKUNEKSA-N 489.994 5.612 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3ccc(Br)cc23)CC1 1831376777 SJMCVTXIXWTEMQ-UUOWRZLLSA-N 498.465 5.443 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1831505949 DXUJSVJIDLVRJQ-NLFFAJNJSA-N 478.036 5.639 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)CC1 1837711701 KZLZXNILEWWVRE-QHCPKHFHSA-N 492.582 5.015 30 20 JKED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CC2)CC1 1838678814 ZLTGFPNEWOBPIV-LJQANCHMSA-N 488.738 5.212 30 20 JKED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(c1cccc(F)c1)C1CCN(Cc2ccccc2)CC1 1857523876 NLSCUAKKZXLFMW-VWYPKUQYSA-N 491.651 6.193 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2sccc2C#N)nc2sc3c(c2c1=O)CCCCC3 8621283 YWRZLIKXZROKOJ-ZDUSSCGKSA-N 472.661 5.362 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179043 OFVKNUUICPGIRA-UHFFFAOYSA-O 475.377 5.802 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(Cl)cc1Cl 10836765 UMDFOCIMUYAJFO-UHFFFAOYSA-O 466.360 6.172 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)n(C2CCCC2)c1C 11117847 UCUZQOMELWEORG-UHFFFAOYSA-N 466.538 5.150 30 20 JKED C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc2scc(-c3cccs3)c2c1=O 12241296 BKDLUWNZGRSDLY-FQEVSTJZSA-N 497.642 5.624 30 20 JKED C=CCn1c(SCc2csc(-c3ccccn3)n2)nc2scc(-c3cccs3)c2c1=O 12241299 IIDHPWLMQGOUOB-UHFFFAOYSA-N 480.665 6.183 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccco3)n2CC(C)C)n(-c2ccccc2)c1C 12810482 RHAGVYGBCJKLQP-UHFFFAOYSA-N 474.590 5.204 30 20 JKED Cc1ccccc1-c1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c2cnn(C(C)C)c2n1 14362081 OANPQZNHSPQUET-UHFFFAOYSA-N 481.556 5.091 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1ccc(-c2ccccc2)cc1 14872536 RNGUGPLGGGSWKA-UHFFFAOYSA-O 493.530 6.591 30 20 JKED C=CCOc1c(Br)cc(CNCc2c(C)nn(Cc3ccccc3)c2C)cc1OC 15582043 LEEAQEATLLTXTJ-UHFFFAOYSA-N 470.411 5.174 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)cc1 15605640 BJGWDQHXAINDNI-UHFFFAOYSA-N 495.988 5.043 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 15848673 QTCONFKIRDBTIN-RHSMWYFYSA-N 467.660 5.505 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3)o2)nc2sc(-c3ccccc3)c(C)c2c1=O 17131739 XTWHUEVNTZCOPW-UHFFFAOYSA-N 472.595 5.962 30 20 JKED C=CCNC(=O)[C@@H](C)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 21605405 VPOOQHKESBPQHZ-OAHLLOKOSA-N 467.561 5.197 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nnc1-c1ccccc1OC 23427187 HEFOEFCNTPRPSH-UHFFFAOYSA-N 450.589 5.564 30 20 JKED C=CCn1c(SCC(=O)NCc2cc(F)cc(F)c2)nnc1-c1ccc(Cl)cc1Cl 30500480 LDGWIDYQMJDOKB-UHFFFAOYSA-N 469.344 5.125 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 97545622 HVPVLACYZSGYNI-UHFFFAOYSA-N 479.964 5.100 30 20 JKED N#Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1Cl 109622171 YXBVGACQOBRIDX-UHFFFAOYSA-N 450.873 5.368 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 117217728 VUXMUXWGKFWCFG-UHFFFAOYSA-N 454.338 6.828 30 20 JKED N#CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 215738905 CZPMVVNAPCJKHY-UHFFFAOYSA-N 453.449 5.185 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 220093371 NSWBVXCINZXEND-UHFFFAOYSA-N 471.561 5.050 30 20 JKED C=CCn1c(-c2sc(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)nc2C)n[nH]c1=S 303001865 HYAPKMSKVYITRK-KGLIPLIRSA-N 476.425 5.063 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(SC)cc1 480384630 ZJVOAEDALMZGJY-QHCPKHFHSA-N 461.543 5.498 30 20 JKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 485965330 SLLPIKAPNNTSTO-SANMLTNESA-N 455.558 5.270 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Cl)c(I)c2)cc1 487808044 NQQIBVGPJFMFNV-UHFFFAOYSA-N 478.639 5.021 30 20 JKED Cc1ccc(N(CCC(=O)Nc2cccc(OCCCC#N)c2)S(=O)(=O)c2ccc(C)cc2)cc1 488462043 WJUSCLPSICLMRF-UHFFFAOYSA-N 491.613 5.210 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)n2)cc1 497886636 YWOYOZHGYSPZMP-NRFANRHFSA-N 466.584 5.025 30 20 JKED C=CCCCCCC[C@]1(C)C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C 498045254 KOCSSQYJFGWBSW-DIIXFEDBSA-N 477.645 7.548 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 498057056 GJTDZLFPEFPILF-GOSISDBHSA-N 483.597 5.624 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)nc2cc(Cl)ccc2c1=O 499503457 GQGFFPNDWDJXMV-UHFFFAOYSA-N 469.916 5.192 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(CN(CC)C(C)=O)c1 502683154 WVMOJWNESOTPBT-UHFFFAOYSA-N 462.363 5.177 30 20 JKED C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1 503795514 KXRAYTWRPHCWOK-OAQYLSRUSA-N 474.580 5.111 30 20 JKED Cc1ccccc1CC(=O)N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 506650418 DQGJOICDJHPUTQ-VWLOTQADSA-N 487.003 5.223 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 507310175 SWCPJJJPQKDHSQ-CYBMUJFWSA-N 451.495 5.049 30 20 JKED CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SC[C@H](O)COc4ccc(CC#N)cc4)o3)cc2C1 508456802 FJVIBVGNAWTPMB-RTBURBONSA-N 483.659 5.547 30 20 JKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 510245692 VSDPBNXQDMOXNV-IBGZPJMESA-N 473.598 5.260 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCc3c(C)noc3C)n2)cc1 512493299 GTTWQBUVYZYXQO-FQEVSTJZSA-N 459.527 5.493 30 20 JKED C[C@@H](c1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1-c1ccccc1)N1CCCCC1 515163920 PZHGCYPFFYHABS-NRFANRHFSA-N 498.656 5.658 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(Cc1ccco1)c1ccccc1C#N 517401009 CURJUOBEKTYWLB-GOSISDBHSA-N 468.600 5.049 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 517478961 QYDPAJBQTBSRKA-UHFFFAOYSA-N 482.334 5.254 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 517527551 GXAYBQFFYQRDRT-UHFFFAOYSA-N 460.578 5.352 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1nc(-c2ccncc2)cs1 517891274 RXGNJVQUQCGJRS-SFHVURJKSA-N 471.929 5.794 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1Cl 517896180 YDMXTVBFBAJJBL-GMAHTHKFSA-N 491.954 5.562 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1C 519947135 QRNQLCLMHAGVNE-UHFFFAOYSA-N 451.574 5.582 30 20 JKED C=CCCO[C@H](C)C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 519999581 DTDWPZVDKKANGE-ZBFHGGJFSA-N 455.407 5.610 30 20 JKED COc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c([N+](=O)[O-])cc1OC(F)F 520534681 SLXDBZPWWKWMGZ-UHFFFAOYSA-N 455.373 5.121 30 20 JKED COc1cc(-c2noc(CCC(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)n2)cc(Cl)c1OC 520888908 YHNWQOZZZWMSTC-LJQANCHMSA-N 482.968 5.018 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 521184729 LBIFPYRENNIFSF-UHFFFAOYSA-N 460.403 5.205 30 20 JKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 521711924 HFKVVRMGFAYCFO-NSHDSACASA-N 490.242 5.264 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 523213242 COMAJCWORHHSOK-UHFFFAOYSA-N 484.339 5.263 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 524675445 FEDOQGQSKZRTNK-OXQOHEQNSA-N 477.552 5.799 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 551400022 KZZHMOHMTVZQDV-UHFFFAOYSA-N 470.776 5.266 30 20 JKED CC(C)Cn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccco1 589931490 UEQRDXYQVAKIEP-OAHLLOKOSA-N 469.636 5.373 30 20 JKED CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 600884780 NFZQWQPUKAISSK-UHFFFAOYSA-N 472.570 5.136 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)c1 603622052 IFOMPXPTJFOZDW-UHFFFAOYSA-N 474.420 5.403 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2C(F)(F)F)c1 603638996 ZJQAGKZHZBGRON-UHFFFAOYSA-N 476.458 5.903 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603764664 QDRGSUPICHKYPR-ZDUSSCGKSA-N 456.271 5.053 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc5ccccc5c4)o3)cn2)c1 603960542 WWBACHLJUYPWNQ-UHFFFAOYSA-N 479.521 5.680 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)c2)cc1 604084778 JPFORKKJAOMIAX-HSZRJFAPSA-N 453.464 6.147 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CN3CCCC3=O)c3ccccc3)cc2Cl)cc1 604090313 SKXITMUZBCMOBT-QHCPKHFHSA-N 474.948 5.489 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1cccc(C(F)(F)F)c1 608865259 JJTWOICUSQUMCI-JOCHJYFZSA-N 496.489 5.669 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 609061151 SYOCVKYIPRMKAE-XMMPIXPASA-N 485.559 5.005 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C(F)(F)F 609064035 QFZVFGJCIHTWLL-UHFFFAOYSA-N 476.458 5.903 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1CCN(Cc2cccs2)CC1 609079174 NOYVOIFRUJFBDJ-UHFFFAOYSA-N 474.630 5.541 30 20 JKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080705 SQUNVAAEBGTERA-UHFFFAOYSA-N 474.992 6.055 30 20 JKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087060 QYZJEBGTCREKAX-OAHLLOKOSA-N 483.902 5.227 30 20 JKED N#Cc1ccc(CNC(=O)c2cccnc2SCc2ccc(Br)cc2)c(F)c1 609229246 XSNSTTXJIFWWQM-UHFFFAOYSA-N 456.340 5.077 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2ccc(F)cc2Cl)cc1 609405551 WVTYEHWDXQYFJS-OAQYLSRUSA-N 487.865 5.105 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 613403999 MKNSAOVCDDHFNU-INIZCTEOSA-N 460.408 6.116 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)nnc1-c1ccccc1OC 613933710 YAEBRPMIJCQWPE-RUZDIDTESA-N 496.636 5.406 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)OCC(C)C)CC1 726140587 OZHGKRDHWCMTIO-UHFFFAOYSA-N 451.542 5.044 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CC[C@H](C)OC)C2=O)cc1 726400830 RTPUTMUWGBFAGO-KKSFZXQISA-N 490.025 5.124 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCO3)[n+]2ccc3c(c2)CCCC3)cc1Cl 726570888 NCGSROTUVDUHKY-UHFFFAOYSA-O 489.020 5.636 30 20 JKED COc1cc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c3ccccc3n2)cc(OC)c1OC 726939209 PLACQJSPMFBQLW-UHFFFAOYSA-N 497.551 5.839 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 727481127 SRSWQFZYNRLIRD-SANMLTNESA-N 473.646 5.271 30 20 JKED COCCCn1c(NN=C(C)c2sc(-c3ccc(Cl)cc3)nc2C)nc2ccccc2c1=O 727648916 WTSOKZNISXIZNE-UHFFFAOYSA-N 482.009 5.354 30 20 JKED CCCN1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C\c2ccc(O[C@H](C)C#N)cc2)C1 727744210 CXPDERIHLTXJKO-PWDHXYDTSA-N 455.558 5.030 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1cscn1 728423445 MUPVVVUTOSYSEO-FQEVSTJZSA-N 496.017 5.137 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1ccccn1)c1cccs1 728429839 KSHFHMDNLBVDOT-LOBKLCKLSA-N 489.626 5.166 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1 728779495 IWVWASSFQTYAOG-FQEVSTJZSA-N 470.982 5.003 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 729146560 SXQIMGHTPNLWPU-OAQYLSRUSA-N 494.617 5.240 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)c2)cc1 729375718 SEEDFCJXGBYWRB-UHFFFAOYSA-N 481.961 5.041 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 729667993 ZWTOHVOWKFZWIV-UHFFFAOYSA-O 499.612 5.612 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc(-c3ccccc3)nc21 729888647 MIIXVTMNSWFHOQ-GOSISDBHSA-N 475.911 5.433 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1F 730447308 KOAVVVYXIRSRBO-UHFFFAOYSA-N 485.566 5.440 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(C2CCC2)C1=O 730461355 CDTMHDBCGBGLCS-HXUWFJFHSA-N 475.973 5.309 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cocn3)C2=O)c1 730724207 LKILQGMOMQHKLW-XMMPIXPASA-N 484.581 5.605 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 730953301 DGXGSNMHZKMHNN-IBGZPJMESA-N 488.638 6.174 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cn(Cc2ccccc2)c2ccccc12 731067611 BGDWJHSRWFOJEV-HXUWFJFHSA-N 483.593 5.879 30 20 JKED CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2cn(C(C)(C)C)nc2-c2ccccc2Cl)c1 731156283 CXJQDLHZLUJLRD-BUHFOSPRSA-N 472.010 5.105 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 731308326 NGPOECPXBMELAO-MBSDFSHPSA-N 474.586 5.126 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2)c1 731309156 UBNMTIABEBOXIT-XMMPIXPASA-N 489.597 5.008 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N([C@@H](C)c2ccccn2)C1=O 743525698 SAEDDPFOOCDYPS-SBUREZEXSA-N 492.576 5.259 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1F 743525700 SAUIJZSXANBWQG-GOSISDBHSA-N 498.407 5.438 30 20 JKED CN(C)c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)cc1 745437725 LLLJHFCSPNOUEW-HSZRJFAPSA-N 494.567 5.191 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1F 746697564 GVBUJLHIIWYGSJ-FQEVSTJZSA-N 497.514 5.020 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1F 747599182 GWGZJWBYSKOJCP-SFHVURJKSA-N 492.960 5.235 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1F)c1nc(-c2ccccc2)cs1 748003509 ABKGTZMIKBWQPI-MRXNPFEDSA-N 461.381 5.821 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(-c2ccncc2)n(C2CC2)c1=S 749246708 VSUNHPZJCNUAPK-UHFFFAOYSA-N 474.403 5.358 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)cs2)cc1 749316456 NQNUDGRSDYVVSZ-AWEZNQCLSA-N 469.950 5.306 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 749332830 SAIHRUSXPCLNKW-UHFFFAOYSA-N 470.342 5.018 30 20 JKED COc1ccccc1/C=C(/C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1 827607883 DWLBHNFSJGXONO-VHVXKRGMSA-N 472.516 5.253 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)c1 837447977 IUSYJMAISVMUJH-XMMPIXPASA-N 478.662 5.137 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CCN(C3CC3)CC2)cc1 837836424 SJSNYXVMJCIBLP-QHCPKHFHSA-N 497.064 5.236 30 20 JKED Cc1ccc(NC(=O)Cc2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)cc1 904248529 FIFVMAQDNQOYAZ-UHFFFAOYSA-N 461.337 5.516 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2ccccc2F)s1 912817750 LVVHRTHPUCFFQV-UHFFFAOYSA-N 454.552 5.294 30 20 JKED CN(CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(=O)c1cccs1 915101452 BRPQENKJZSFNMX-CYBMUJFWSA-N 450.372 5.127 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccc(Cl)cc2)cs1 915101805 LIPFAHJGDIEOMY-KRWDZBQOSA-N 469.353 5.976 30 20 JKED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915200296 YAPOJYHQZBJQPI-JWQCQUIFSA-N 455.558 5.417 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OC1CCCC1 915772292 NPDNPYHZGHQNKY-FNZWTVRRSA-N 497.595 5.488 30 20 JKED COc1cc([C@H](C)/N=C\c2cc(Br)cc(Br)c2O)cc(OC)c1OC 915980019 WPUPEEYJRWMPPY-UQXWMBKDSA-N 473.161 5.123 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccccn1 916204573 AQVSHOZHCAKPSJ-NRFANRHFSA-N 464.978 5.204 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 916901400 HGLHZLDQLZQPAS-QGZVFWFLSA-N 496.951 5.466 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916903739 RWPWEZAGUFYHLB-NRFANRHFSA-N 456.502 5.424 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C 916904208 YHJNDFMFPWABOR-LJQANCHMSA-N 451.979 5.858 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916911740 XARWPYAKQUMVLI-INIZCTEOSA-N 469.353 5.663 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 916912910 TXNWZUSMUDKSNP-SFHVURJKSA-N 496.748 5.316 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 916940233 WBGCLCAEBYJXQB-SFHVURJKSA-N 499.350 5.551 30 20 JKED COc1ccc(NC(=O)[C@H](OC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)cc1Cl 917262401 WTTSVMFGRNVDKQ-XMMPIXPASA-N 480.973 5.377 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2ccc(Cl)cc2Cl)cs1 917534120 URNKUMQFPAXEDK-UHFFFAOYSA-N 498.848 6.108 30 20 JKED C[C@@H](N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccccc1)c1ccccc1 917608832 CGIYULIFZSMAJT-LJQANCHMSA-O 460.623 5.333 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(OC)c3)N(Cc3ccsc3)C2=O)cc1 917666701 JMIVJLKJBHVSRR-QFIPXVFZSA-N 495.626 5.316 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cccc(C)n3)C2=O)c1 917670414 UNFCRVAYLQRXDF-XMMPIXPASA-N 488.613 5.176 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C#N 917703053 LBNYEJJQWHKFGD-FQEVSTJZSA-N 488.535 5.728 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918418440 AJMVQZHRPBCUOJ-KSFYIVLOSA-N 466.368 5.807 30 20 JKED O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 918734539 XRLZZOYNKKATTQ-KBPBESRZSA-N 491.382 5.362 30 20 JKED Cc1sc2ncnc(SCCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2c1C 919712080 FHAJYHBIPQYOIC-OAQYLSRUSA-N 458.612 6.085 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 920106131 SHENFERKRPYBSV-GOSISDBHSA-N 469.501 5.130 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 920139587 VLSMAEMLEKFYSQ-IBGZPJMESA-N 486.519 5.325 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(OCc4ccccc4)cc3)n2)cc1 920141613 GCCOXMRKOPOUOY-XMMPIXPASA-N 470.550 5.653 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)(F)F)cc2)s1 920169013 CBKSTGFQMUXFCD-SCLBCKFNSA-N 497.564 5.317 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1 920205617 OJHFLSYZAMVXTE-RPBOFIJWSA-N 485.996 5.901 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2csc(CC)n2)ccc1Cl 920280642 WLLTXKSUMHSBMK-UHFFFAOYSA-N 490.050 5.012 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920324186 NFJRJZBMLXHBRQ-RUZDIDTESA-N 462.553 5.625 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 920353233 DVBDPNQKEPTPSG-HSZRJFAPSA-N 494.592 5.714 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c12 920680315 HEGAINIXUZRYIB-UHFFFAOYSA-N 482.496 5.343 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1C 920893779 HCPVMVMUKUNHFM-INIZCTEOSA-N 468.916 5.057 30 20 JKED CC(C)(C)OC(=O)c1cccc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)c1 1653642843 IVBRDIKSMPIZSC-UHFFFAOYSA-N 454.530 5.302 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Br)c4ccccc34)C2)C1 1778395433 HMGNPTOJMWWGID-AREMUKBSSA-N 499.449 5.038 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](N[C@@H](C)c4ccccc4)C4CC4)CCC3)cc2)C1 1785810236 GEVSCHFAUXWNRY-FNZWTVRRSA-N 457.618 5.216 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)cc4F)cc3)CCC2)CCC1 1785960038 ZUJODXCBHKUCKT-UHFFFAOYSA-N 470.342 5.030 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3sccc3F)cc2)CCC1 1786519210 NTPXTUHWNSWLFT-IBGZPJMESA-N 487.597 5.104 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]3C)CCC2)cc1 1786546275 NLKGLDHXFXCJRQ-QIJUGHKUSA-N 469.626 5.026 30 20 JKED O=C(CCc1ccc(C(F)(F)F)cn1)NC1(c2ccc(NC(=O)C(F)(F)C(F)F)cc2)CCC1 1786601788 BABVTJLAAFXVMO-UHFFFAOYSA-N 491.407 5.068 30 20 JKED CC(C)(C)n1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)cn1 1787070275 MEMOWRATUGPBLB-UHFFFAOYSA-N 475.980 5.225 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c(F)c1 1788649998 NAOAOISPJARMEM-VAWYXSNFSA-N 478.545 5.083 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)COC5)cc3)CCC2)c1 1789038237 WKBDYUPZBQOERR-IBGZPJMESA-N 465.553 5.405 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc4[nH]ccc4s3)cc2)CCC1 1789103440 QQLRNIGJYWLSOQ-CMDGGOBGSA-N 475.595 5.478 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4cnnc4)cc3)CCC2)cc1 1789508809 NBUAWELUKYYQLR-UHFFFAOYSA-N 499.691 5.066 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cccc6ccoc56)CCC4)cc3)c2c1 1790836494 JVFLMENAVYANOD-UHFFFAOYSA-N 475.508 5.242 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CCC2)cc1 1791585445 JBIXXARJSHXAGH-OAQYLSRUSA-N 457.615 5.026 30 20 JKED COC(=O)c1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1 1791715955 UEWAEVUVUVUVLR-HXUWFJFHSA-N 495.579 5.091 30 20 JKED Cc1ccnc(-c2cc(CCCC(=O)Nc3ccc(C4(NC(=O)CCC#N)CCC4)cc3)ccn2)c1 1791763480 SHVVPQILKNDYHF-UHFFFAOYSA-N 481.600 5.213 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c[nH]nc5c4)CCC3)cc2)c1 1792123653 NZLYTOMNVNERSQ-GOSISDBHSA-N 463.541 5.251 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5c(F)cccc5n4)CCC3)cc2)c1 1792126793 LZLQFMLSYZITTL-GOSISDBHSA-N 481.531 5.162 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792387993 VSFBDIOKZIRAMR-AREMUKBSSA-N 469.626 5.124 30 20 JKED Cc1c(Br)cc(F)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2 1799314147 DUQONCNLWFGQQK-VJICWTENSA-N 498.396 5.089 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC1)C2 1800175470 HHZVHXYYPFHYIK-BJESRGMDSA-N 477.690 5.069 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1802495325 BKPMOUQUVMQXAV-QYFUJJLASA-N 477.674 5.694 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1802498072 UCTJZIASDRPXKW-ZJSXRUAMSA-N 465.638 5.593 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1802503199 MAWUXTCMJWRUDF-JYFHCDHNSA-N 470.617 5.250 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1803086892 PBUKOXRRKFQZSF-ISKFKSNPSA-N 496.449 5.241 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2cc4ccccc4o2)C3)cc1C#N 1803838661 BEXRYIBUUVTURU-FLJPJLAVSA-N 483.568 5.057 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)C1 1804860110 ZYRYDSHQSCKKKK-RTWAWAEBSA-N 458.593 5.292 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)C1 1806025681 OMWJIAOINZCUNZ-HSZRJFAPSA-N 485.628 5.042 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1808888710 HXOMFQYUUFKBLP-LALGMVQUSA-N 493.673 5.195 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc3ccsc3[nH]2)[C@H]1c1cccnc1)c1ccccc1 1812124731 IYBNRYVMKGURKJ-RMTZWNOUSA-N 496.636 5.141 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1812590727 STRDNQZAPRIRHG-XZOYJPPVSA-N 470.013 5.054 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c(Cl)c1 1813860253 CFIJCOQFDKVHML-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c1 1813869389 FURRABGIOKUQTR-FCTLNWHPSA-N 492.623 5.221 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1817117835 XAWIPIXNQAWPPA-RKOYOZNISA-N 468.001 5.333 30 20 JKED CCn1nc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c2ccccc21 1817753224 MRYSNCUXEXGSJA-HOYKHHGWSA-N 495.587 5.026 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)[nH]n1 1819301614 MKOCCQSYTVMIKE-QFBILLFUSA-N 487.000 5.155 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)[nH]n1)c1ccccc1 1819521498 VDUIRDALWFKEHU-ZMDBSYECSA-N 487.629 5.077 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3Cl)n[nH]2)c(Cl)c1 1820428653 YEYDESCOCJQEGA-FQEVSTJZSA-N 468.344 5.208 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1 1820485454 WEBFCDSHYGEJTP-KHMHUBCMSA-N 471.586 5.202 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(F)c2F)n[nH]1 1820619205 QVEJTYHXWGKNDO-HXUWFJFHSA-N 472.612 5.045 30 20 JKED C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)sc2C1 1821274508 HQHKPKBGCNJXDL-FQEVSTJZSA-N 482.609 5.092 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)c1 1821275410 IBQWLJMMCHDNKV-HXUWFJFHSA-N 491.523 5.394 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)Cc3ccc(F)cc3)n[nH]2)c1 1821811621 QMKQTIQDYALDAF-MPCDZSKCSA-N 487.579 5.361 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1821925271 PDEYALUNCZVXCC-ACJLOTCBSA-N 452.452 5.086 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(OCc4ccccc4)cc23)[nH]n1 1822402240 IEKSHFHENRBASR-AREMUKBSSA-N 497.599 5.281 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)c3cccs3)[nH]n2)c1 1823215756 CLTAGVAGONQQPO-LLGFUMIMSA-N 461.591 5.208 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823307520 VDPBFKSAIQLCRQ-KRWDZBQOSA-N 486.947 5.307 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1 1823379121 MVTJURODQKXJGP-QHCPKHFHSA-N 485.588 5.106 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1824511730 PVGITGBUTIUUQM-MBSDFSHPSA-N 481.464 5.137 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3F)CC2)c1 1824729397 JWSNTRQZUHMYMN-VGSWGCGISA-N 453.583 5.061 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)nc3F)CC2)c1 1825376905 QVPNAKACKMGILD-JTSKRJEESA-N 482.987 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826439274 QBDWGHMFQPEXMT-XUZZJYLKSA-N 493.475 5.760 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1 1826515699 RMIMPSICGGWDOO-MHZLTWQESA-N 487.644 5.130 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@H]4CCCCN4C(=O)C4(C#N)CC4)CC3)c2c1 1826681675 XJPZKZNKDUSIDA-HSZRJFAPSA-N 491.632 5.177 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827682767 KYTKAQFACDPTNX-ZVQQDINOSA-N 498.765 5.158 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)CC1 1827908832 FTKDYJRJGDUWOL-OAQYLSRUSA-N 467.576 5.270 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2Cl)CC1 1828906232 BAMXAZPNHBCJHI-QHCPKHFHSA-N 474.121 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)CC1 1829180561 OOXNFAGVVUWFIV-QUCCMNQESA-N 464.437 5.390 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)CC1 1829682638 RBYKFLIURHECCB-SANMLTNESA-N 474.649 5.369 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c1Cl 1829690246 SLYAKJKSQIVFLJ-JOCHJYFZSA-N 493.032 5.368 30 20 JKED COc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)cc2ccccc2c1Cl 1829708025 RMLLSEARALBZTK-QFIPXVFZSA-N 480.008 5.039 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)cc1 1830015769 PSFVXKCEWYYZKI-KVVRFYPFSA-N 461.650 5.398 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2noc(-c3ccccc3)n2)CC1 1830131568 AXGHABCJTANAJV-VWLOTQADSA-N 490.648 5.057 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)cc1 1830628874 NYYZUSQLTZBDKI-OAQYLSRUSA-N 477.655 5.576 30 20 JKED CC(C)C1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CCC1 1830724919 WYEQGVWZASYDNV-HSZRJFAPSA-N 456.030 5.271 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1830772181 XZBLTTREXFKPCY-MRAVXTPNSA-N 481.640 5.222 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)CC1 1831293181 RPEFPCZTWVEXFH-XMMPIXPASA-N 473.057 5.279 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1831376456 QZAAXOGWAUMCCR-CUFUVEISSA-N 473.455 5.294 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 1831562373 OBJCQFNEXNDBQO-CAVYSCNFSA-N 463.666 5.592 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1831851453 DSANJXGFKSNXCR-MHZLTWQESA-N 482.628 5.267 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1832030009 DBQKRMAWGYDLPI-MHZLTWQESA-N 457.618 5.176 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)c(Cl)c1 1832477221 SVRYHGWDOJBGRF-QHCPKHFHSA-N 454.014 5.025 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c(F)c1F 1832612200 RCNKWRUNLDFNTD-XMMPIXPASA-N 479.571 5.011 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3F)CC2)c1 1832633346 GSUPVSYYTGFYGU-UUOWRZLLSA-N 465.544 5.139 30 20 JKED C[C@H](Cc1ccco1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635787 RZEKGBCWSZODQZ-YZIHRLCOSA-N 461.606 5.019 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1832684202 YSUAOTIYIGIYEV-HSZRJFAPSA-N 499.989 5.356 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CCC1 1832784995 ASWWMNZCZDMHQG-IBGZPJMESA-N 466.384 5.060 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1832827979 KCCMRYBCDMFHMN-QFIPXVFZSA-N 479.448 5.427 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](CCC)CC3)CC2)CC1 1838374985 RDDZOLPIPMVOMV-FXSPECFOSA-N 458.687 5.360 30 20 JKED CC(C)=CCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1838630771 KRSNWCBUAPFBBN-UHFFFAOYSA-N 498.667 5.445 30 20 JKED CC(C)Cn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1ccccc1F 8651290 DCEZJSLFPXMIEL-UHFFFAOYSA-N 471.989 5.433 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10170976 GVLYJPHGKWOXEJ-UHFFFAOYSA-O 481.641 6.997 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1c(C)cc(C)cc1Cl 10178884 QGAQFHZZHZNWCE-UHFFFAOYSA-O 464.054 6.346 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)N(CCC#N)c1ccccc1 10212650 FJEVAHLCRLLAPF-IBGZPJMESA-N 471.561 5.501 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10755764 ICZCTCCYZFCDCQ-UHFFFAOYSA-O 486.976 6.023 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc3c(c2)CCCC3)c(C)n1C 11126719 RGBDRFAAOAFTGL-UHFFFAOYSA-O 468.646 6.012 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1 11259485 WTCFYZGQVHXZKA-UHFFFAOYSA-O 453.587 5.624 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2 14871745 HDDSJQULSNFTOZ-UHFFFAOYSA-O 450.027 6.120 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(C(C)C)cc2)cc1 22728720 FIECHBVJGXFSDS-UHFFFAOYSA-O 462.595 5.927 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Br)cc2F)n(C2CCCCC2)c1C 25803468 RTSFOWYLOLYOBS-UHFFFAOYSA-N 476.346 5.179 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2F)c2nccn2C)cc1OCC 30646090 SMUFVWBJDKSQCG-OAQYLSRUSA-N 474.374 5.164 30 20 JKED C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2sc(-c3ccccc3)c(C)c2c1=O 31751223 QBTACBXHIAJZBX-UHFFFAOYSA-N 472.595 5.148 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2Cl)C(C)C)nnc1-c1ccccc1OC 32326414 UFJWFNYUVBVSRV-FQEVSTJZSA-N 456.999 5.549 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)Nc3c(Cl)cccc3Cl)nc3ccccc3c2=O)cc1 45619872 BXODFUJUNXRLGX-UHFFFAOYSA-N 481.364 5.295 30 20 JKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(S(=O)(=O)N(C)C)c1C 46861766 OEHKXUDLPJIZAL-JOCHJYFZSA-N 482.005 5.115 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 68728737 KMLHPTJUNDPYBP-UHFFFAOYSA-N 484.503 5.624 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCSc3ccccc32)c1 68731402 SZDPBXLEVGOESV-UHFFFAOYSA-N 485.030 5.474 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)n2)n[nH]c1=S 115622730 ZDVVXUCKXWBNEF-UHFFFAOYSA-N 487.614 5.074 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1[C@H](C)c1ccccc1 195659182 OQEGGUVBDUIQGF-IIBYNOLFSA-N 470.598 5.381 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCNC(=O)c2ccc3ccccc3c2)cc1 303053182 VOHPXFYKPUVHGI-UHFFFAOYSA-N 465.528 5.199 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)cc1 498375302 MXVUUEORTCAZPC-UHFFFAOYSA-N 463.969 5.111 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 500297466 AZVHPZPNCXDGBJ-UHFFFAOYSA-N 457.521 5.928 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 501470929 ANISLUKSOXVXEK-UHFFFAOYSA-N 497.624 5.568 30 20 JKED Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)cc1 502988598 JQOXFKFBZCYLCC-UHFFFAOYSA-N 470.573 5.006 30 20 JKED CCN(CC)c1nc2sc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2s1 506247749 LQACGGJZXAAQCH-UHFFFAOYSA-N 463.588 5.824 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 507904201 JDMGTFIAMAJRFK-UHFFFAOYSA-N 489.578 5.394 30 20 JKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 508258032 QYVZLHBDBPRCHV-UHFFFAOYSA-N 495.505 5.478 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 509663853 FFKLYUXZQSFOSQ-UHFFFAOYSA-N 478.533 6.285 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510022819 HBVGHVHQRFEWMJ-VWLOTQADSA-N 469.976 5.217 30 20 JKED Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 510077571 CXMBTNWBOIKIAR-UHFFFAOYSA-N 452.514 5.871 30 20 JKED CCOc1c(Cl)cc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC 510215315 XVPGPVWUXGGREB-UHFFFAOYSA-N 490.010 5.084 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 510247277 ZVIVZCOFBHNPJN-MRXNPFEDSA-N 478.346 5.179 30 20 JKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 510282167 HZLNVFCQGPWJGD-KRWDZBQOSA-N 475.570 5.287 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2 510284820 YWXAOVJAGOYOSQ-UHFFFAOYSA-N 455.514 5.341 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 513666587 NJIGIAAELJFKOV-CQSZACIVSA-N 466.975 5.543 30 20 JKED C=CCN(C(=O)[C@@H](C)Sc1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515609386 ATDOCSQBMWAADD-OAHLLOKOSA-N 455.561 5.427 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)cc1 516269928 FHAIVEQNVGPCGM-HXUWFJFHSA-N 495.482 6.515 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCc3csc(C)n3)n2)cc1 516270124 NFUJJISDATWWLX-FQEVSTJZSA-N 461.568 5.653 30 20 JKED CCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 516340715 YBWQKPHUOMBVIL-UHFFFAOYSA-N 474.439 5.079 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)C2CC2)cc1 516387387 ABMDFCHMUUWTBS-GOSISDBHSA-N 498.608 5.129 30 20 JKED Cc1nnc(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1Cc1ccccc1 516541679 DAUCEINOZXVFLP-UHFFFAOYSA-N 489.988 5.683 30 20 JKED C=CCN(C(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1)c1nc(-c2ccccc2)cs1 517280327 JLKANOPFUNTCGK-UHFFFAOYSA-N 451.555 5.685 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 518700142 VNDNCUJZKMAGMY-UHFFFAOYSA-N 462.815 5.126 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccccn4)c3)cc2)c1 518753109 HOJOZYCJJANSIX-UHFFFAOYSA-N 463.497 5.320 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccccc3)Cc3ccco3)cc2)cc1 520006653 FEWAEWMTBQHCPR-UHFFFAOYSA-N 451.482 5.111 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 520460379 NQHWGOQVZFSBNJ-UHFFFAOYSA-N 497.517 6.495 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)c1 520915510 XANYVGFOBUGMIU-FQEVSTJZSA-N 459.933 5.495 30 20 JKED C=CCn1c(S[C@@H](C)c2cccc(F)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 521211800 FZBIGZOXLYLQHZ-KRWDZBQOSA-N 474.627 5.154 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 522951591 UOUNMYFQQKXQBT-URXFXBBRSA-N 465.475 6.028 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cccc(C(F)(F)F)c1 524437980 IRSWESAEMCLALU-UHFFFAOYSA-N 453.464 6.128 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ccccc3SCCC#N)cc12 524674678 ZGUFTEGBPDHRAH-UHFFFAOYSA-N 452.992 6.307 30 20 JKED C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2csc3ccccc23)c1=O 588157599 IRKCVXHJMVVXOP-KRWDZBQOSA-N 498.654 5.181 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2NC(C)=O)c1 589922275 MRQOGVCGXCAASD-UHFFFAOYSA-N 498.004 5.240 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)c1nc2ccccc2n1C(F)F 596533313 IEUOCBIARGSEEO-SFHVURJKSA-N 454.436 6.243 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCC4)nc(O)c2c1C 600841184 KXNUDDDJMTUMPJ-GFCCVEGCSA-N 458.634 5.086 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2[N+](=O)[O-])n1 603613706 OONCEPZXMYPNFV-CYBMUJFWSA-N 485.497 5.746 30 20 JKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CSCc1ccc(Br)cc1)CCCC2 603614764 DJZLVYFPKVIJGH-SFHVURJKSA-N 488.451 5.052 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@H]2CCCC[C@@H]21 603624670 QWSPZNAQTJOUEO-YNJKOYDBSA-N 496.567 5.166 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1Cl 603673423 VIMRKKANZUGBOM-QFIPXVFZSA-N 470.960 5.992 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1Cl 603766220 NJHOHDLIMKRJEU-VWLOTQADSA-N 489.966 6.495 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603766935 ZVTLPYOFGLILEJ-QHCPKHFHSA-N 468.948 5.098 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 604085001 RWNHMOYMOLZDKU-GAJHUEQPSA-N 497.020 5.128 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 608965426 ZUQPRLOTZICVJM-QFIPXVFZSA-N 462.578 5.454 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cs2)cc1OC 609064402 TUOXNXYKDICJPB-UHFFFAOYSA-N 485.565 5.459 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccccc3SCCC#N)cc(-c3ccc4c(c3)OCCO4)nc21 609375750 XYCCKTRCMCDIAM-UHFFFAOYSA-N 499.596 5.708 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609403255 GUSQRENYNZVYBS-UHFFFAOYSA-N 465.472 5.004 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)cs1 610435967 AKUKANOHWHJCPT-UHFFFAOYSA-N 469.635 6.255 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613404405 LRHGBYBYQUGMEY-SFHVURJKSA-N 465.456 6.057 30 20 JKED N#C[C@@H](C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc2cc(Cl)ccc2s1 613407081 HOMIJRNPNQLAAX-HNNXBMFYSA-N 457.740 5.388 30 20 JKED Cc1c([C@H](C)NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 642956246 UIISGFGDEDWOIG-YYWXWVFPSA-N 480.428 5.590 30 20 JKED CCOc1cc(C=Nn2cnnc2-c2ccccc2)cc(Br)c1OCc1ccccc1 725856981 SZQOPQFIYDONCG-UHFFFAOYSA-N 477.362 5.568 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N\[C@@H](C)c2cccs2)o1 726421923 SZZPPBHJMHXMJY-CIKHDRDXSA-N 485.606 5.421 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCC)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 726572653 HIVJPIKXCXTVQW-UHFFFAOYSA-O 491.636 6.268 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2ccc(C(CC)CC)cc2)c1 726572806 GFYBLKGVZXAYCB-UHFFFAOYSA-O 467.658 6.671 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)c1=S 728050221 PNOLCXJMWNOCSA-HXUWFJFHSA-N 474.552 6.089 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(SC)cc1 728390411 KOZVAAUUJBQYCG-BJKOFHAPSA-N 459.571 5.490 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2ccccn2)c1Cl 728429950 MCLJEEYKBCDUHP-CXAGYDPISA-N 477.417 5.058 30 20 JKED CCC(CC)CN(CCC#N)Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O 729472136 WGDZCFOHSHFHGA-UHFFFAOYSA-N 467.411 5.435 30 20 JKED N#CCn1c(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc2ccccc21 729768762 KATGQASFWZOOIR-UHFFFAOYSA-N 471.127 5.574 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cocn1 730718632 MRRRBKCBETYUPM-NRFANRHFSA-N 482.993 5.359 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CCCc2c[nH]c3ccccc23)C1=O 730721731 WMHNAJWZMISOAT-HXUWFJFHSA-N 489.428 5.175 30 20 JKED N#Cc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)nc1 730893224 NENFBJFPXHCKBC-UHFFFAOYSA-N 488.956 5.120 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1 730942853 YINGILRIQHXQPV-AOMKIAJQSA-N 496.995 5.904 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3cccnc3)C2=O)c1 730943282 BHAPGTQSSKNPPP-KSFYIVLOSA-N 495.004 5.465 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)c3cccnc3)C2=O)c1 730944985 JUQJBDRPPIAWJN-NYHFZMIOSA-N 496.539 5.090 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1c(C)cc(C)cc1Cl 731310038 ZJYJVWZWHTVTNM-OXQOHEQNSA-N 490.025 5.048 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc(Cl)c1OC 744761454 JNCGZJVSWVDXAD-UHFFFAOYSA-N 475.014 5.521 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 749338965 VRXOKIMKEYIWER-MRXNPFEDSA-N 457.914 5.351 30 20 JKED CCOc1cc(/C=C2\SC(=Nc3c(C)cccc3C)NC2=O)ccc1OCC(F)(F)F 750895270 FRJXLMLBJICHJU-WQRHYEAKSA-N 450.482 5.535 30 20 JKED Cn1ccnc1[C@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 766354533 QFCANVCCPWMZGU-RQEHUIBCSA-N 471.376 5.516 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 775390518 NUBIXADCASOUKS-SFHVURJKSA-N 469.497 5.079 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)Nc3ccc4ccccc4c3)nc3ccccc3c2=O)cc1 798098458 FSRKLEGTUQBFGK-UHFFFAOYSA-N 462.534 5.141 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC(F)(F)F 799210865 DRYIOEGMECVETQ-HNNXBMFYSA-N 490.334 5.824 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccccc2OCc2ccccn2)cc1 819841215 RVSAIERQTJPWGP-UHFFFAOYSA-N 459.575 5.125 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccccn1 838192115 LROYYGKKBIWTOW-HXOBKFHXSA-N 476.577 5.505 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 914545917 KHPNBMLMUMGOBL-LJQANCHMSA-N 471.554 5.495 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(CN(C)C)c2)c1 914844120 KXFBJTWGWZVTKH-UHFFFAOYSA-N 484.021 5.035 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 915085482 BRHLPZWJEFJVSF-HSZRJFAPSA-N 494.016 5.422 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccc(F)cc2)c1 916206254 MXRFGJOBLRAUOG-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)cc1 916214099 KIJQCIMJECLEBW-JOCHJYFZSA-N 463.559 5.011 30 20 JKED CCOc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc(Br)c1OC 916310988 USQRNGVIIJEAIX-UHFFFAOYSA-N 498.402 5.485 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916885725 BAWRFLOFZABSEZ-JVDPXHNSSA-N 474.838 6.034 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 916898695 HHVKQLWTASIKAH-IBGZPJMESA-N 455.366 6.247 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 916903293 QSCOSWCUTHVCNO-IBGZPJMESA-N 453.901 5.165 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1 916914815 VLRCTTXORRJFQF-UZLBHIALSA-N 490.629 5.144 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 916955722 TXTNOJSHMKEMHL-IIBYNOLFSA-N 472.511 5.178 30 20 JKED N#C[C@@H](C(=O)c1cn(-c2ccccc2Br)nn1)c1nc(-c2ccc(Cl)cc2)cs1 916976870 VMRSNXAJCJZKPO-AWEZNQCLSA-N 484.766 5.297 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 917041161 QGPQNWXPNXGGLY-QGZVFWFLSA-N 466.517 5.104 30 20 JKED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047137 RRZOVZKLXLAXPX-WMZOPIPTSA-N 455.967 5.262 30 20 JKED COc1cc(C(=O)/C=C\c2cc(Br)c(OC(F)F)c(OC)c2)ccc1OC(F)F 917142684 MSPDWHPVHCAMIC-HYXAFXHYSA-N 479.220 5.565 30 20 JKED Cc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917704655 WLRJTEZVRCTIKY-HSZRJFAPSA-N 454.555 5.027 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccn2)ccc1Cl 919985379 NOSNUCIJCQTWGI-UHFFFAOYSA-N 490.412 5.042 30 20 JKED C=CCn1c(SCc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)nnc1-c1ccc(Cl)cc1 920071479 RCHKCTIMPWXYGJ-UHFFFAOYSA-N 491.017 5.220 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 920107537 CUWCOWOLZIMJJB-JOCHJYFZSA-N 458.880 5.293 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)COC(C)C)c3C#N)C(C)(C)C2)o1 920718236 LXGNZXAWSSPLGQ-CLFYSBASSA-N 468.575 5.206 30 20 JKED CSc1cccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)c1 920805349 CFXJFNGXVGSSCK-CZUORRHYSA-N 469.538 5.040 30 20 JKED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)C1 1780012369 BAROIWGNUTWVMM-MUUNZHRXSA-N 489.641 5.108 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CCC3)cc2)C1 1785808049 JGWSSLLDSLEAGH-PGRDOPGGSA-N 469.626 5.026 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)CCC2)cc1 1786366643 JMKFHOLTQUZKFF-UHFFFAOYSA-N 491.588 5.133 30 20 JKED Cc1ncccc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1786747813 CAKGSGDGEHJSNS-UHFFFAOYSA-N 496.611 5.429 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(Br)cn3)cc2)CCC1 1786928740 RTXHHJUHWJSDMH-JOCHJYFZSA-N 482.422 5.289 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)cc2)CCC1 1787155254 AMMVVSDBRBTJTA-UHFFFAOYSA-N 481.478 5.147 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc4cc(O)ccc4n3)CCC2)cc1 1788649635 OOZYZNZALFBKEW-OUKQBFOZSA-N 497.576 5.189 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4c(ccc5ncccc54)s3)cc2)CCC1 1789998708 PXBIFXZLXUEHBN-OAHLLOKOSA-N 461.612 5.516 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](C)CC=C)cc2)CCC1)NC(=O)OC(C)(C)C 1791252043 GSPRHZXQLSJESA-KNQAVFIVSA-N 469.626 5.192 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(NC(C)=O)ccc3Cl)CCC2)cc1 1791252142 ITEIQYNUGYJPGW-MRXNPFEDSA-N 453.970 5.258 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)coc3C)CCC2)cc1)C(F)(F)F 1791303156 ODMKTLATCRWPGL-UHFFFAOYSA-N 460.374 5.473 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)cc2)CCC1 1791412195 SODWFXLUVZIDOT-CQIJRDABSA-N 481.637 5.121 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(F)c2s1)c1ccc(O)cc1 1797448363 NKGCDRAREVXTDX-PSWRPDDJSA-N 490.600 5.195 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)cc1 1800543046 BCJXBRFTJAWKQI-NUNAXRQHSA-N 478.552 5.060 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1802502375 IGGJGYAPJAQXDQ-LGBWXGKCSA-N 484.644 5.583 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1803078169 SLMUGSBVMICVQB-YIXXDRMTSA-N 486.591 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 1804082408 VBDURHPCODHWSV-NUNAXRQHSA-N 489.701 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c(Cl)cncc3Cl)C2)CC1 1804733176 NEAZOBZSTXIERP-UHFFFAOYSA-N 452.426 5.226 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1)c1ccccc1 1805528089 WXLUTGFSPSFRSI-SLSDLSHTSA-N 492.044 5.313 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1808464508 XERHKELSEIGAIC-ILBGXUMGSA-N 486.616 5.357 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H]1c1cccnc1 1810493046 UZDRFUVLETULSE-CGBRIMPHSA-N 463.597 5.023 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810588764 VDXYEUPFJUWASC-WIOPSUGQSA-N 498.067 5.834 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccnc1 1811108323 IHCQELPZBGBNEB-UWJYYQICSA-N 475.420 5.095 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811417228 CCYZSSZAOPSMPA-YADARESESA-N 493.394 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811861884 HERZFDVFLBAACU-MZYLBHOOSA-N 471.523 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(OC(F)(F)F)c2)[C@@H]1c1cccnc1 1812050424 HOLFJZWZIVAKLX-XPIZARPCSA-N 495.929 5.165 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(Br)c2)[C@@H]1c1cccnc1 1813980203 JFHCTEVVRNXMAA-WJPUGNRLSA-N 490.829 5.029 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)c(F)c3)[nH]n2)C1 1814393713 KGJPEZOMVVMQCX-JOCHJYFZSA-N 477.515 5.022 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(Cl)c3)[nH]n2)C1 1814397401 HLXAPKZIOJMYFF-HXUWFJFHSA-N 456.974 5.122 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)cc1 1817588376 RNFZUXNCHFRLDS-SANMLTNESA-N 494.599 5.020 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1818287908 FRLOYLDDPXQGML-HXUWFJFHSA-N 499.493 5.140 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C(F)(F)F)coc2C)n[nH]1 1818290208 WLUUPBGPWYFWEW-YJBOKZPZSA-N 464.488 5.404 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4c(Cl)cccc4s3)n[nH]2)c1 1818775313 XXJMSBIRCUTCJC-SFHVURJKSA-N 478.965 5.097 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971780 PONBCJJHUDPUMC-CYFREDJKSA-N 492.023 5.994 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COCc2ccc(C)c(C)c2)[nH]n1 1819306029 VDFKVHWFAILPBQ-ISKFKSNPSA-N 464.610 5.004 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)c1 1819479959 ZYTNASWVTCUZPT-CSLYNHGHSA-N 489.620 5.089 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)[nH]n1 1819552502 OBUGUNVLLTVCHM-URVUXULASA-N 452.574 5.337 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)[nH]n2)c1Cl 1820219363 QJUBBNXREPXLIW-HTAPYJJXSA-N 493.917 5.158 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)s1 1820486002 QBVUQFITPNNEQY-HXUWFJFHSA-N 476.606 5.090 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1820645519 UUQGTGQEUUFWQH-HSZRJFAPSA-N 491.979 5.343 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)c1 1821273562 FAMMQVDHXSSECZ-NRFANRHFSA-N 465.916 5.002 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1824539485 XMTGPVOPGIRFPT-AHWVRZQESA-N 481.706 5.094 30 20 JKED O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826524703 IJDLINYFTGXKTK-AREMUKBSSA-N 474.004 5.106 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cccnc34)CC2)c1Cl 1828038641 YKBFWLRJCUFVGQ-DEOSSOPVSA-N 487.003 5.307 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c4ccccc34)CC2)CC1 1828508130 OQJCUPAWBNSRQP-QHCPKHFHSA-N 494.433 5.139 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cc(Br)ccc4c3)CC2)CC1 1828508388 WXFOSRZLJLCSCY-QHCPKHFHSA-N 494.433 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1828822076 VVCQBBQRQDUIOF-SQHAQQRYSA-N 461.650 5.407 30 20 JKED O=C(c1cccc2c1oc1ccccc12)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828998436 DXFAPHFYCWFURF-OCJNCGMCSA-N 497.595 5.531 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cscc2OC)CC1)c1ccccc1 1829033261 TYFFTKWWKDFKOC-ILBGXUMGSA-N 478.658 5.187 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 1829065890 GWTLYXRLKPVPNH-NRFANRHFSA-N 465.560 5.326 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1829069339 WTFNLMWNNLABBH-XMMPIXPASA-N 453.602 5.533 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1829682302 OAOPHDNMXARCNE-RUZDIDTESA-N 493.051 5.304 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc4c3CCCC4)CC2)cc1 1830015904 VPWCNFBRDSNSRJ-DEOSSOPVSA-N 461.631 5.046 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1830418787 AGZYYVSUCBIDCE-UWJYYQICSA-N 482.452 5.336 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1830770045 IHZNQBVEUHDFQM-XMMPIXPASA-N 481.543 5.015 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1831373852 IFVVYOXJTMDYAT-LADGPHEKSA-N 476.702 5.501 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831376728 RUFMXQSXFXXLSU-FQRUVTKNSA-N 476.617 5.072 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)CCCCC)CC1 1831771785 UIPGZFQLYXNCGT-QTJGBDASSA-N 491.717 5.292 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831774902 FXMJJSXMHHTYFZ-JOCHJYFZSA-N 485.650 5.075 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705618 CQJQLEZTQDBQKU-KRWDZBQOSA-N 468.413 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1832923609 YUOAFMXBTRTKOD-HSZRJFAPSA-N 491.717 5.246 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)c(Cl)c1 1845488915 OOVKTYKGJCGADF-UHFFFAOYSA-N 484.943 5.084 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 10355343 WMVZOAJCOHOONB-VWLOTQADSA-N 452.583 5.524 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(Cl)cc2)cc1 10831837 XBUGYOFCXMCIPP-UHFFFAOYSA-O 474.831 6.003 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)cc1F 11082996 FMWGQVHXPYSUAU-UHFFFAOYSA-O 450.603 5.307 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccccc1 18524333 JRSBQFFIZJHOJB-UHFFFAOYSA-N 464.978 5.551 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 18535880 IOOYRQUFLLKFMO-LBPRGKRZSA-N 464.538 5.602 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)cc12 21459697 YZUFCJOAWSGHBP-HNNXBMFYSA-N 478.961 5.164 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1-c1ccc(Br)cc1 21927504 CJEUVZMOMRDFQR-UHFFFAOYSA-N 488.436 5.101 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22693969 MWBXWOJGMYQKPE-UHFFFAOYSA-O 495.668 6.631 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc3c(c2)CCCC3)cc1 22727549 JMGKAWHLFLTTJM-UHFFFAOYSA-O 479.647 5.450 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(OC)cc2)cc1 22731149 YVMCQLQJCHYHHG-UHFFFAOYSA-O 460.406 5.903 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)c1 23283306 HHSGJWHEBFTPOY-JOCHJYFZSA-N 496.640 5.682 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1 32804710 AVJXKASJFPGUPD-UHFFFAOYSA-N 454.486 5.454 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1C(=O)c1ccc(F)cc1 33197200 KTXNUSJSHPBSOJ-KBPBESRZSA-N 461.377 5.696 30 20 JKED COc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 106035239 DOGMWULMLLQLFV-UHFFFAOYSA-N 475.936 5.243 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nc2ccc(F)cc2s1 255930841 OOMLCPQAJOAAEK-UHFFFAOYSA-N 489.985 5.176 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4c(F)cc(Br)cc4[nH]3)s2)cc1 302985432 KILIZSKOYGXIJU-UHFFFAOYSA-N 488.367 5.337 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1c(Cl)cccc1Cl 481807694 PKZRPNRFWYIIAE-CQSZACIVSA-N 454.342 5.496 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483462937 HOKSZBIEVKBLMN-LJQANCHMSA-N 453.542 5.783 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1 491570582 QVIJNXXQHNBEBO-QHCPKHFHSA-N 470.573 5.045 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2c(F)cccc2F)cs1 497900771 GUPYTNPWVRXTQE-CYBMUJFWSA-N 468.466 5.610 30 20 JKED CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 499432206 BVTUIYTYBCTCBI-UHFFFAOYSA-N 481.445 5.759 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1C 501868039 ROWMIHXZKLZRIT-UHFFFAOYSA-N 464.516 5.042 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2)cc1 502690403 CDIWMIISTHYYPJ-XMMPIXPASA-N 481.577 5.168 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1ccccc1 503212581 XLJAVPFCJJLDPW-QGZVFWFLSA-N 489.626 5.564 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1 505857831 WACPZYOHKHRUHE-UHFFFAOYSA-N 486.988 5.778 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 508141265 FKOZCQHIWUHONV-UHFFFAOYSA-N 494.517 5.835 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(CN4CCCC4)cc3)c2)cc1 509901797 WNKYUDJXZQJXAL-UHFFFAOYSA-N 454.574 5.249 30 20 JKED C=CCN(C(=O)Cn1c(C)c(C)sc1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 512389807 SSMMKUPIQXUXJB-UHFFFAOYSA-N 461.612 5.536 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc1 513984350 BGAXNVNCCUPTED-UHFFFAOYSA-N 491.416 6.134 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Br)c(C(F)(F)F)c3)CC2)cc1 514506671 RKZJUSKKIJCIGI-UHFFFAOYSA-N 481.316 5.079 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 518738909 DSHZEWNETVTPAS-KRWDZBQOSA-N 497.667 5.142 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 519508347 CXBWEFAQZNUGGC-UHFFFAOYSA-N 485.628 5.525 30 20 JKED C=CCCO[C@H](C)C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 519999763 SWMRUXIZGYRTHW-QAPCUYQASA-N 465.413 5.066 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 520937597 DOGHXAIYRJJLGK-ZIAGYGMSSA-N 476.396 5.497 30 20 JKED C[C@@H](SCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccc(Cl)cc1 521024100 LUSLTBOTDMPUOY-APWZRJJASA-N 458.027 5.504 30 20 JKED CC(C)OCCOCc1cccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 521036885 LRMZIHWRFXETJD-SFHVURJKSA-N 455.624 5.269 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1Oc1ccccc1 522521528 MAZOZOJCMQCXLQ-MRXNPFEDSA-N 483.446 5.108 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 551427111 JDZBQPCXHGTECB-UHFFFAOYSA-N 473.960 5.229 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)CC2 603689756 DNVHMIUCGYEKCU-UHFFFAOYSA-N 458.518 5.133 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 603701918 ISICMMUDRWBCHE-SANMLTNESA-N 476.536 5.093 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 603746214 NWTWMIZMCKFVBW-SANMLTNESA-N 466.585 5.802 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2I)cc1Cl 603759210 XWDIZXIGXOAOML-GOSISDBHSA-N 472.713 5.852 30 20 JKED CC(C)(C)c1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604508003 CEWGGEDAIDLVIS-QHCPKHFHSA-N 459.977 5.548 30 20 JKED COc1ccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C(F)(F)F)c1 608841819 YWTPXMCOJYFLSH-UHFFFAOYSA-N 479.509 5.051 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)o2)cc1 609058130 HFSJTEYAIQAEEW-UHFFFAOYSA-N 455.445 5.374 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)cc2Cl)c1 609062329 LZLONSYZDCWWRB-UHFFFAOYSA-N 494.035 5.984 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 609068050 HUAUEYLIGQXULW-UHFFFAOYSA-N 495.486 5.277 30 20 JKED CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609163889 BSWLWDHTLWRWBG-TZIWHRDSSA-N 467.978 5.079 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1cccc(C(F)(F)F)c1 613392019 GXYDKXIPFZXMFK-SFHVURJKSA-N 452.461 5.813 30 20 JKED N#C[C@H](C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 613393498 KWEKSXMBRULOJH-WZJJSRHISA-N 459.615 5.223 30 20 JKED C=CCn1c(SCC(=O)N(CC(F)(F)F)C(C)C)nc2scc(-c3cccs3)c2c1=O 613827575 DPQRPEOEBAPFFV-UHFFFAOYSA-N 487.594 5.264 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618304129 TYRJEGKXROOBAF-STQMWFEESA-N 454.411 5.384 30 20 JKED O=C(N[C@H](COc1ccccc1F)c1ccccc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618556407 PZEFZOQRCMCSNC-JFIYKMOQSA-N 478.408 5.718 30 20 JKED Cc1cc(F)c(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1F 622517198 CLYJEPBJASMUHH-KRWDZBQOSA-N 453.329 5.525 30 20 JKED O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 622600970 JMSHPABEFJQROU-UHFFFAOYSA-N 484.734 5.167 30 20 JKED O=C(CSc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642158682 YMWDQZWEYGDKMJ-GHMZBOCLSA-N 453.370 5.823 30 20 JKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 662424068 NRAIAMIRSNBGNT-GOSISDBHSA-N 495.052 5.224 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)CCc2ccco2)cc1F 726413608 YXAYRFRSYWUPHP-HXOBKFHXSA-N 495.576 5.409 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N/[C@@H](C)c2cccs2)o1 726421929 SZZPPBHJMHXMJY-DIUXXVEUSA-N 485.606 5.421 30 20 JKED CCc1c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)[nH]c(C)c1C(C)=O 726570939 NYKZWUBZKQVRMS-UHFFFAOYSA-O 480.013 5.532 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(OCC#N)cc3)C2=O)c1 727650640 PGOAFPPSACELET-RUZDIDTESA-N 498.608 5.366 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 728062656 RWDLKXPHVWOIGR-LJQANCHMSA-N 490.991 5.066 30 20 JKED Cc1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C)n1-c1ccc(C#N)cc1 728267152 DCLYSVWEAWQOLO-HOTGVXAUSA-N 457.418 5.605 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)=C(/S)Nc1cccc(C(C)C)c1 728556592 RKNBALCOLZRABW-UHFFFAOYSA-O 496.678 5.167 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(C)c(F)c2)cc1 729669237 RTRMNDKPYCBVAZ-UHFFFAOYSA-O 483.585 5.756 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc3ccccc23)s1 730710477 MGFWKHDSNJTYJD-OAQYLSRUSA-N 487.610 5.160 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1cccs1)c1cccs1 731312123 LCLHQOPZQUCHGM-KLRMTFFLSA-N 485.656 5.148 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743450229 YRVBJIKEQLPMHL-CQSZACIVSA-N 460.342 5.477 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 744587932 WJJAVXWLMVLTEL-QHCPKHFHSA-N 466.946 5.258 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCOC(C)(C)C)C2=O)c1 746697979 QZLMYWRJNRQAEB-OAQYLSRUSA-N 471.598 5.218 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747598814 FDRPWAIAGRHRKH-GOSISDBHSA-N 492.960 5.235 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)cc1F 747600502 BHJLZYKVZKNKAL-LJQANCHMSA-N 490.532 5.029 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(CC(F)(F)F)C1=O 799212257 GHLYPMMOEZSCSN-QGZVFWFLSA-N 485.915 5.180 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c2ccccc21 829684475 PJBTXMKKOBJJAR-UHFFFAOYSA-N 496.350 5.875 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1OC 838525861 KMSMQMKCYSPXDB-GOSISDBHSA-N 477.558 5.156 30 20 JKED C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC2(CCOCC2)[C@H]1c1cnn(CC(C)C)c1 849535052 QXGOSMVYVWMDPF-JOCHJYFZSA-N 477.527 5.117 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2ccccc2C(F)(F)F)nc1 912800276 MIAVGDNFXFFQKV-UHFFFAOYSA-N 462.497 5.152 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(OC)c1 914544530 YSGOEWMODBUIHZ-XMMPIXPASA-N 489.597 5.002 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 915720085 ZAGFEAUDLVZQBM-VSGBNLITSA-N 498.586 5.710 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916057893 YXDIEMJIGMXDPO-AHWVRZQESA-N 457.961 5.470 30 20 JKED CCOc1cc(/C=C2\CSc3ccc(F)cc3C2=O)ccc1OCCn1c([N+](=O)[O-])cnc1C 916128478 GEEJEXDALOYEEK-LICLKQGHSA-N 483.521 5.089 30 20 JKED C=CCN1C(=O)N[C@H](c2ccccc2Br)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166604 MYKMHQLNPRLJKK-LJQANCHMSA-N 494.311 5.633 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1C 916204233 AVNJMIUHFKJFTO-SFHVURJKSA-N 480.417 5.217 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)cc1 916205675 JBPHUTKIFKRZSI-KNQAVFIVSA-N 487.572 5.228 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(C[C@@H]3CCCO3)C2=O)c1 916208117 UJLSDELKNWNKOW-NZQKXSOJSA-N 465.619 5.060 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1Cc1ccccn1 916216014 MWPZCGHLHVSLHW-FQEVSTJZSA-N 499.423 5.857 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916906432 REEQHSHFYNZPAS-CYBMUJFWSA-N 458.326 5.268 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4cc(Cl)cc(Cl)c4)cc3)o2)c1 916945276 USOSKHRBQJKJTC-NRFANRHFSA-N 491.334 5.980 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916977436 QPSYOPZJZMVYMF-SFHVURJKSA-N 453.951 6.301 30 20 JKED N#C[C@@H](C(=O)Cc1cnn(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995660 BWEGBSGFHWOHFM-KRWDZBQOSA-N 454.342 5.117 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1nc2ccccc2n1C(F)F 917041814 XHSDFLHRGGWAMY-HXUWFJFHSA-N 472.470 6.528 30 20 JKED C=C(Cl)COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917560375 MNHBHWUAGDDITG-MDWZMJQESA-N 452.963 6.164 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(C)s2)C1=O 917678011 MRZFTVOVPBTPKI-NRFANRHFSA-N 483.590 5.365 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccnc(C)n2)cc1 917683219 FCGBEXFNVGHFCS-DEOSSOPVSA-N 487.629 5.288 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 917699596 DBUQEAWZXJALAY-QGZVFWFLSA-N 499.976 5.121 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)o1 919512329 DSCRRWQZACTDLB-RUZDIDTESA-N 452.466 5.267 30 20 JKED CCCOc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 920479204 PPECAHWHJCHSJB-QFIPXVFZSA-N 492.576 5.170 30 20 JKED Cc1ccccc1Nc1nc2sc(C(=O)OCC(=O)Nc3ccc(CC#N)cc3)cc2s1 920669397 ULBDFCPEAAIKLW-UHFFFAOYSA-N 462.556 5.271 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)n2)cc1 920806449 LNJCEHDZHBRZAQ-INIZCTEOSA-N 480.496 5.346 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 920868289 JOUNOACKBVWWDP-VBKZILBWSA-N 477.989 5.030 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2cc(Br)ccc2F)cc1 920871562 BNRQUIZNPHBEEO-OAQYLSRUSA-N 452.327 5.608 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)CCC2)cc1 1786393850 MRZGWLFXMTWACU-LJQANCHMSA-N 490.551 5.284 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786696732 IWAMOUFNGWHDQK-HSZRJFAPSA-N 485.024 5.206 30 20 JKED Cc1cccc(-c2cnccc2C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)c1 1787878508 YXDFICCWUUEWHJ-UHFFFAOYSA-N 450.542 5.109 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccn4ccnc34)cc2)CCC1 1789311185 VDGDWQSLJKWKKM-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CC(=O)Nc3ccc(F)cc3)CCC2)cc1 1789456459 UOTZXZLOSUXWLQ-QHCPKHFHSA-N 463.553 5.057 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4CNc5ccccc5O4)cc3)CCC2)c1 1789474854 FHYUJZLZMZHHGO-CJFMBICVSA-N 494.595 5.325 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccccc3N3CCCCC3)CCC2)cc1 1789577059 QTCCOCGYXYOLHM-TWKHWXDSSA-N 484.600 5.137 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCC2)cc1 1789625409 CAKWKQKZVIZOQG-GOSISDBHSA-N 457.615 5.026 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)[nH]n4)cc3)CCC2)c1 1790125203 MUBBYVPYFGUTAP-UHFFFAOYSA-N 461.525 5.010 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CCC1 1790281911 OXPQFCBREHHOEX-MRXNPFEDSA-N 461.484 5.254 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)c(Cl)c1 1790767544 AQPIKKHBNSDVJQ-UHFFFAOYSA-N 496.954 5.928 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)CCC1 1791395733 HCFNRRIPZRWUFC-UHFFFAOYSA-N 481.637 5.124 30 20 JKED Cc1nc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c(C)s1 1792123026 HFEPPNPDLQHVDJ-KRWDZBQOSA-N 472.614 5.377 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5c(O)cccc45)CCC3)cc2)c1 1792126234 CDPLQYGGMZETEM-IBGZPJMESA-N 490.563 5.629 30 20 JKED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)c1 1799284824 OMEMIKMNRLNDTN-WKCHPHFGSA-N 479.536 5.032 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1802443709 RUKHYFJMBAFUSO-FDNCZKTJSA-N 491.016 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)oc3cc(O)ccc23)[C@@H]1c1cccnc1 1802499418 SBKZAVURHNPBRV-CJFMBICVSA-N 475.589 5.154 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1802500267 LTHNXYCIIFBPFY-XUZZJYLKSA-N 482.694 5.583 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1803080845 DYHHKZLFWNYFKV-OFVILXPXSA-N 477.008 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@@H]1c1cccnc1 1804860855 IYSRMZFCWCYUJS-YWEHKCAJSA-N 498.627 5.173 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H](C)c3ccc(OC)cc3)C2)CC1)c1ccccc1 1805321933 JGMBIBXXBBOOKF-RBJSKKJNSA-N 486.656 5.227 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CC2)C1 1806028203 YVTJNUNMHIHESR-LVXARBLLSA-N 496.598 5.321 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(OC)cc3)CCC2)[C@H]1c1cccnc1 1808227017 ULWLNFZUKPSTLX-ZEQKJWHPSA-N 489.660 5.210 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1808424298 YPWXPULIVQHOQC-RLWOOJCVSA-N 493.673 5.050 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)cc2c1 1809157395 SVEQMJDXUDZDML-MCQPEXAWSA-N 491.595 5.132 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 1809552797 DSXDLNUICSTBJG-UUSJWDGRSA-N 499.014 5.038 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)c1 1809623462 LOXWFLLEFANDRO-KGEHBJAKSA-N 488.607 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810168842 QUJBANQPGWGBJD-GEWUYGHSSA-N 496.051 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1810173537 WCPXGSVEQQYDOC-DGWZTRNLSA-N 484.600 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1810494278 CZLYVMHYCWGHBW-OZXSUGGESA-N 486.616 5.357 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811788192 JUNXKONBHHZDOU-GEQKSPFYSA-N 490.406 5.616 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811873422 MVERFHIWLFPPPE-OFNKIYASSA-N 498.549 5.284 30 20 JKED C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812530574 HYAXTYABACCWNP-PXDATVDWSA-N 483.534 5.101 30 20 JKED CC(C)c1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813869551 JTURXROLDPJYJF-JWCTUAFDSA-N 494.639 5.394 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1814442978 FEPFMADNQHFECF-GOSISDBHSA-N 451.596 5.318 30 20 JKED Cc1cc(Cl)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1814593365 LFWWMRPAADGNJA-NRFANRHFSA-N 465.916 5.002 30 20 JKED CC(C)(C)c1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1817710330 AXXVHKJJEJYIMV-FQEVSTJZSA-N 490.995 5.247 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4ncccc4c3)n[nH]2)c1 1818480075 TXXVOUYLUZBNNY-BVZFJXPGSA-N 478.556 5.205 30 20 JKED Cc1nc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)ccc2s1 1818698708 CNLCVQGVWJEVJD-HSZRJFAPSA-N 498.612 5.138 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1819254120 MAIHQORMTFZMID-LAUBAEHRSA-N 493.658 5.149 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1)c1ccccc1 1821310718 MHSDRMOJFCELET-KSFYIVLOSA-N 495.505 5.410 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3sccc3c2O)n[nH]1 1821505724 DXPABRYJRNRSKT-JXFKEZNVSA-N 464.591 5.404 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1821750783 JMPOAZIIQSCKTC-RUXCXATBSA-N 497.599 5.455 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cccc(Br)c4n3)CC2)C1 1823701362 IMNYARUDVUZCSR-HSZRJFAPSA-N 496.449 5.197 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(Br)cc3Cl)CC2)C1 1823702117 USVHXIVVTKKTQS-OAQYLSRUSA-N 497.836 5.441 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)C1 1823704481 IFPLOJBMUNRHHB-NRFANRHFSA-N 452.492 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)C)nn2CC)CC1 1823754054 WZQDXURHLJTAAD-HSZRJFAPSA-N 456.675 5.252 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)c1Cl 1823890302 TZEUMWRWIZLNPA-LJQANCHMSA-N 450.410 5.085 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(=O)Nc2ccccc2)CC1 1824138274 XZXWSARCEHCNHY-SANMLTNESA-N 479.665 5.184 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824954910 RXHYWXOQCNENHT-QHCPKHFHSA-N 496.639 5.567 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)c[nH]2)cc1 1825425686 ZTJOBTJHCNAIHB-NDEPHWFRSA-N 498.602 5.548 30 20 JKED C=CCCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cnccc34)CC2)c(O)n1 1825626080 QNFWTEWLKDHVDN-HHHXNRCGSA-N 498.627 5.001 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)c1 1826569701 NFDDSUZKBKHDPQ-VWLOTQADSA-N 464.009 5.078 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 1826693154 KBUPGMKLYMEASN-DEOSSOPVSA-N 470.057 5.465 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734406 DFBDLYDXOSVFNJ-RCZVLFRGSA-N 499.051 5.406 30 20 JKED O=C(CCCC(F)(F)F)N[C@H]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)cc3F)sc2C1 1827850336 GZVWRGPZPSAAQW-NSHDSACASA-N 497.436 5.259 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828741904 WBIRILIFKZRWOD-HSZRJFAPSA-N 472.029 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1828821398 MPTBCWRSYRSPJX-FTJBHMTQSA-N 487.084 5.887 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1828827178 SUPRDBJPXVUWCK-LBNVMWSVSA-N 471.645 5.750 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1828889436 RFZTUTHSGPIGAF-PKTZIBPZSA-N 495.491 5.119 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1828890101 ZYVYSVCAXSZBKI-PKTZIBPZSA-N 495.491 5.119 30 20 JKED CCCCCc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=N/N3CCCCC3)CC2)c1 1828915745 TXYWFHMKCICCNY-LLJYRHCUSA-N 494.724 5.053 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccccc3o2)CC1)c1ccccc1 1829034626 AWQZCVGKFGJKBC-AOYPEHQESA-N 483.612 5.258 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)CC1 1829424657 XJSKCLCYBFTHIJ-HKUYNNGSSA-N 469.573 5.164 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1829954441 BWEWGASTQJWWFN-RUZDIDTESA-N 474.992 5.240 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1830015590 KOGOURXEKKQDRS-UODIDJSMSA-N 476.020 5.249 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(Cl)cc1 1830627672 HZDCEQTZZYSHSW-FNZWTVRRSA-N 478.036 5.443 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830721541 IFMNTVRDPMHOLP-VWLOTQADSA-N 496.076 5.546 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)c1 1830766503 HNZMPHHVMBUUSK-JOCHJYFZSA-N 485.415 5.116 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 1830768039 YUWQREMNGUXCIK-RUZDIDTESA-N 497.561 5.362 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830784920 WKLXHURPRMCKLH-VGSWGCGISA-N 482.452 5.336 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177868 IXXARTPURKXWGF-KDYSTLNUSA-N 473.617 5.007 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831240192 VIPSGFUPCIFFEU-WZONZLPQSA-N 496.479 5.347 30 20 JKED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1831262671 ZYFFSIGNCIETCU-KDYSTLNUSA-N 475.608 5.004 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686039 KXMFWYVRIDTUQM-NVPSQMSFSA-N 473.455 5.294 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831751482 IIYVHRRLEDFLAV-SGNDLWITSA-N 462.675 5.139 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1832034895 XDZWOVFOSQESHD-AREMUKBSSA-N 485.628 5.855 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832716827 BFVVCAFJZZZBFY-NRFANRHFSA-N 466.931 5.006 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)ccc3OC(F)(F)F)CC2)CCC1 1832785156 KHFLFTFMBZHBFB-LJQANCHMSA-N 497.945 5.166 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832801152 JAXTVKAKCFQRHG-MLCQCVOFSA-N 468.604 5.743 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC34CN(C(=O)CCc3cccc(C#N)c3)C4)ccc21 1844742052 ONKMGWHCKSTWJR-UHFFFAOYSA-N 490.607 5.136 30 20 JKED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC1CCC(c2ccnc3ccc(F)cc23)CC1 1847826655 GFSHWITUEXJQMY-SEWRWLBJSA-N 497.680 5.194 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@@H](C)C(=O)Nc1cccc(C#N)c1 9033746 FYPNBCQTBWCSCY-INIZCTEOSA-N 484.025 5.863 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 10239703 UWULAOMDHNQEGG-INIZCTEOSA-N 459.962 5.579 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccs2)nc2sc(-c3ccccc3)cc2c1=O 10813055 KFHFCAFJGWLCLZ-OAHLLOKOSA-N 467.641 5.342 30 20 JKED C[C@@](C#N)(NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C1CC1 11219413 PFPXHNFBOKYXCT-DEOSSOPVSA-N 450.995 5.152 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2scc(-c3cccs3)c2c1=O 11383009 HTOTUGPYVNDOKA-UHFFFAOYSA-N 499.639 5.121 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 14703536 PKAMBXIQPOCBSK-UHFFFAOYSA-N 496.636 6.235 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1F 14872454 MEDVMTBJMITPEO-UHFFFAOYSA-O 477.412 5.845 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 20064927 AIDBADANHQMUCR-UHFFFAOYSA-N 461.012 5.056 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)NCc2ccc(OC)cc2)cc1 22692846 ADUXNTSIGKEYOU-UHFFFAOYSA-O 475.678 6.232 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc2c(c1)CCCC2 22693884 IVSYEGMKEMWDQM-UHFFFAOYSA-O 451.562 5.799 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2cccc(Cl)c2)cc1 28793651 MGQSFCGKYDLIKV-UHFFFAOYSA-O 499.056 5.753 30 20 JKED N#CCCCOc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 68731140 HFFRCZUCLIJMHF-UHFFFAOYSA-N 487.560 5.487 30 20 JKED COc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OCc1ccncc1 108825254 XHQJTCWFAYAABY-UHFFFAOYSA-N 465.509 5.372 30 20 JKED C[C@H](C#N)Oc1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cc1 110651358 IENJAUVEAFVLBB-MRXNPFEDSA-N 480.351 5.945 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(Cl)cc1Cl 113144577 CFKYFYWNYNIGER-AWEZNQCLSA-N 464.761 5.660 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc(-c3ccccc3)nc21 113145027 UGVXEETXXSPNMR-KRWDZBQOSA-N 478.339 5.386 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 409521773 NNTBSWGQYUHJDH-OAHLLOKOSA-N 489.389 5.331 30 20 JKED N#Cc1cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)ccc1OCC(F)(F)F 409795592 WWOWAMLLJLNYIQ-UHFFFAOYSA-N 489.763 5.005 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481661610 SYFQCAOBDGRDSQ-XMMPIXPASA-N 489.547 5.498 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 498441179 AOCRXQSVKYIOKW-UHFFFAOYSA-N 454.393 5.426 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 499320629 TUWDPCHVLSXNOB-UHFFFAOYSA-N 462.600 5.595 30 20 JKED CC(C)COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl 502160774 VQPDHOOWFGYOEH-UHFFFAOYSA-N 467.913 5.312 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1 505676272 XOHVPGBKQQVPHL-UHFFFAOYSA-N 492.457 6.124 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCCc2cccc(C(F)(F)F)c2)c1 506962078 AEZTXFLDMMMVDF-UHFFFAOYSA-N 497.542 5.670 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1F 507038700 IRCAFQNOZPPRAK-UHFFFAOYSA-N 465.912 5.176 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1Cl 510021911 BDNFJPZXXMWDRL-DEOSSOPVSA-N 457.961 6.122 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2)cc1 517846954 IQMBKJOMPBMTDG-UHFFFAOYSA-N 457.364 5.452 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 518150882 HXXWLKRKMUKXLV-GNRVTEMESA-N 482.049 6.004 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)nnc2-c2ccccc2)cc1 518653272 XXVGIYRHRJSEND-HXUWFJFHSA-N 499.665 6.368 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Br)cc1 518684794 MNZKTIGKAPTRPK-RDTXWAMCSA-N 476.396 5.127 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 518739216 TXLRTPATIOJSEQ-GOSISDBHSA-N 471.648 5.286 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2c(F)cccc2F)cs1 518871097 VBTLZQUDJUHGTO-HNNXBMFYSA-N 465.506 5.892 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1C 520470441 IYVIZAYYJRDFNS-UHFFFAOYSA-N 481.581 5.880 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCSCC(=O)Nc1ccc(Br)cc1 521328728 FVLDMRVADFXDTL-HNNXBMFYSA-N 492.464 5.544 30 20 JKED Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C#N)c(C)c1C 521732982 CEFFKEOZYHBEQF-UHFFFAOYSA-N 464.538 5.634 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 521738750 AFZGVQKVQQVYBO-ZMSDIMECSA-N 453.530 5.125 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)[C@@H](C)c1cccc(-n2cnnn2)c1 521792440 OJRDYOLHYPCOFD-KRWDZBQOSA-N 485.592 5.054 30 20 JKED C=CCN(C(=O)c1ccc(OC)cc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 522974768 NPLOPUXFVSTVRW-UHFFFAOYSA-N 474.336 5.322 30 20 JKED CCn1c(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)nc2ccccc21 524413574 JSIMRILLUKCQGO-UHFFFAOYSA-N 456.571 5.546 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(OC3CCC(C)CC3)CC2)cc1 524678968 MFKGBDNFZBVMIX-UHFFFAOYSA-N 463.578 5.951 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CC[C@@H](c2cccc(F)c2)C1 591485489 SQLGJRMFHCGJSB-CQSZACIVSA-N 480.380 5.729 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1nc2ccccc2s1 591862033 KDRNQVYNWXDAEB-LJQANCHMSA-N 463.518 5.773 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cs2)cc1 603622851 HZLFXIJSJXYGPF-UHFFFAOYSA-N 456.527 5.449 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)cn2)cc1 603763511 CTRKNTZIYPPPSR-UHFFFAOYSA-N 467.451 5.014 30 20 JKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)CC3 603828975 AJMXVAPFCPIVKL-JOCHJYFZSA-N 454.961 6.375 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 603895099 QEJWXMNHEZGNNQ-UHFFFAOYSA-N 493.379 5.304 30 20 JKED CC(C)(CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Br)cc1 608804849 CYDNUZVLYGCOFQ-UHFFFAOYSA-N 453.336 5.200 30 20 JKED COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609054183 WXUIFJJCAJVYKB-VWNXMTODSA-N 473.960 5.306 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCN(Cc4ccccc4)CC3)cc2Cl)c1 609079495 BIBKICVGPFCDFZ-UHFFFAOYSA-N 474.992 5.530 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)CC2)c1 609185864 RUSQSIPHFFFYIR-UHFFFAOYSA-N 471.504 5.313 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cs2)cc1 609378354 GGVMYAZEAODXNU-UHFFFAOYSA-N 491.560 6.236 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 609381772 ZGACQTCOFMVEIU-QGZVFWFLSA-N 493.526 5.270 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 609401964 NLPFUTVPAQQNBP-IBGZPJMESA-N 458.587 5.081 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)C[C@@H](C)O1 609437116 QBHCMBPKJRQECB-HSALFYBXSA-N 452.624 5.012 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc(OC)c1OCc1ccccc1 609577420 BPCYFRSBPJCMAT-INIZCTEOSA-N 462.571 5.593 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc2cc(C(F)(F)F)ccc2s1 613403596 FDIDDEYIMQYZSB-HNNXBMFYSA-N 471.485 6.119 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(CC)cc2)c2cccs2)nnc1-c1cccnc1 613992000 XMMGPJYAKXRZNQ-QHCPKHFHSA-N 475.643 5.148 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1OC 617996437 ROGMQFJAHFNBTO-SJORKVTESA-N 462.575 5.244 30 20 JKED O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540585 UYNYOVSSLRBZSL-DTORHVGOSA-N 472.735 5.876 30 20 JKED C=CCN(C(=O)c1ccc(CS(C)(=O)=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891497 UHMBTQVTEIMMOQ-UHFFFAOYSA-N 488.634 5.855 30 20 JKED Cn1ccnc1[C@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccc(F)cc1 642339791 STUVFCKABRLWGF-MJGOQNOKSA-N 461.381 5.310 30 20 JKED N#CC(CCOC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)(c1ccccc1)c1ccccc1 726024014 LKLDVQLKEIYYMC-UHFFFAOYSA-N 472.629 5.685 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N\CCc2ccccn2)s1 726112823 GTXLGGKIRGMVJG-JJUQZXHNSA-N 496.633 5.223 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@@H](C)c1cccs1 726419801 JRKRDOODPLZVJH-PJTSVVBSSA-N 480.055 5.136 30 20 JKED C#Cc1cccc(NC(=S)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2C)c1 726434310 JIMROLRCGFUBSI-UHFFFAOYSA-N 455.992 5.239 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCNC(=O)c2ccc(Br)cc2)cc1 726695407 FARVYNHQEDWKTC-QHCPKHFHSA-N 491.389 5.046 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC)c(Cl)c1 726888640 AWESQKMJTKHMTF-OAQYLSRUSA-N 490.025 5.044 30 20 JKED N#C[C@@H](C(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1ccc(SC(F)F)cc1 727627022 BRSMVZVRYMCKKX-HNNXBMFYSA-N 458.408 5.180 30 20 JKED C#CC[C@@H](OC(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12)c1ccccn1 727775806 PSEVYZCRQZKNFI-RUZDIDTESA-N 454.526 5.488 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 728422379 APRKEPGIQGSKRP-DVECYGJZSA-N 483.597 5.292 30 20 JKED Cc1nc(/C=C/c2nccn2CC(F)(F)F)sc1C(=O)/C=C/c1nccn1CC(F)(F)F 728698798 PBWDADIEZULQHG-MQQKCMAXSA-N 475.418 5.036 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N 728778601 DJZXJEFAIWZXRN-HXUWFJFHSA-N 470.982 5.003 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 729146004 NWFCKVMOXVNQRJ-SFHVURJKSA-N 488.997 5.405 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1C1CCCC1 730525727 HZGYFIQSQNTUKP-HSZRJFAPSA-N 481.618 5.169 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cc1 730717520 OBBCMWZUMRFKDT-JXFKEZNVSA-N 479.631 5.185 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730719478 FSKOVXOSGYMFDW-HXUWFJFHSA-N 486.956 5.190 30 20 JKED CCOc1ccc(N2C(=O)/C(=C\Nc3ccccc3SCCC#N)c3ccccc3C2=O)cc1 730996816 WOJYDBPKRUOJBL-NKFKGCMQSA-N 469.566 5.731 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 731066290 VFVBTKTXGYRNLU-DEBLGDTFSA-N 482.911 5.948 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 731307335 HHENXVJEBSSPQV-OPAMFIHVSA-N 495.626 5.492 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cc2s1 744936945 YWUFFOBISBXCES-GFCCVEGCSA-N 477.011 5.136 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cscn1 747601168 DKHPBPRVYFAQPZ-IBGZPJMESA-N 471.007 5.265 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1 748754568 AZNHHINXYWPMOB-UHFFFAOYSA-N 481.646 6.727 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1)c1ccccc1 749190597 KQEGKJHUVZFHEC-NSOVKSMOSA-N 480.612 5.648 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 797186963 NMAMBYZRAOGNKH-ALCCZGGFSA-N 465.458 5.237 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC(F)(F)F)cc1 799218909 IGTKQMCIKVZCGV-OAHLLOKOSA-N 490.334 5.824 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)CCc2ccco2)c1 837346945 UGCJJDCSMOJVFH-JPYJTQIMSA-N 477.586 5.270 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccc(C)o2)cc1 915111192 KJACKLIYQSYQOE-JOCHJYFZSA-N 499.539 5.078 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(COCc3ccco3)c2)cc1 915353350 NFSAKFFDHUYOBV-HHHXNRCGSA-N 451.526 5.974 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1ncc(-c2cccc(Cl)c2)o1 915467986 WGFXRGFOIGVVDL-UHFFFAOYSA-N 491.725 5.150 30 20 JKED Cc1cccc(C)c1OCc1nn(CN(CCC#N)Cc2cccnc2)c(=S)n1-c1ccccc1 915796067 TXOKRHHQIPLPJA-UHFFFAOYSA-N 484.629 5.368 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2s1 916847945 XGSNNDRTGDGFER-XMSQKQJNSA-N 463.356 6.055 30 20 JKED C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(SC(F)F)cc4)cc3c2C1 916887441 OMXVJBGZCVZGLN-BFUOFWGJSA-N 453.514 5.569 30 20 JKED N#C[C@@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1ccccc1Cl 916908111 GAAMOVLPWZYGEO-HNNXBMFYSA-N 478.986 5.451 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1C 916928553 NRVWWFKRMRYJPQ-MRXNPFEDSA-N 488.400 5.020 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1ccc(Br)cc1 916945236 TUMDZRVUBCALIO-KRWDZBQOSA-N 492.160 5.211 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917043672 MQXRCAKXQFSPGY-AVRDEDQJSA-N 452.457 6.312 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 917507278 TUIRBSKLKRHCNX-ZDUSSCGKSA-N 488.327 5.284 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccc(C#N)cc2)c1 917669074 NDMCSKNQSYAJJL-HSZRJFAPSA-N 490.535 5.305 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cccc(C)n2)cc1 917679591 QZOWUWOPJDLSKD-XMMPIXPASA-N 488.613 5.122 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 917682484 JFWQZSRAKVKCIQ-CYFREDJKSA-N 487.629 5.178 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(C)c3)C2=O)cc1 917700073 CBLTWNUOOODXIC-VWLOTQADSA-N 496.592 5.230 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC1CCC1 917703525 NTRSVMRKLFZXAL-IBGZPJMESA-N 487.412 5.625 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc1OC 918487091 PJFZMTRNKXITHV-CQSZACIVSA-N 475.353 5.700 30 20 JKED COc1cc(/C=C/C(=O)N(Cc2ccccc2)c2ccccc2C#N)ccc1OCc1c(C)noc1C 918585071 WHFKJCJHVPOLIL-JQIJEIRASA-N 493.563 5.997 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1OC 920141493 PFQNWSNCVGQDRM-IBGZPJMESA-N 486.578 5.241 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@H]2CCc3c(Cl)cccc32)C1=O 920171809 YWWFECTXALBNRT-ZWKOTPCHSA-N 481.927 5.114 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 920197962 LFFDXZFLJFCRQX-RPWUZVMVSA-N 457.961 5.168 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3C(F)(F)F)SC2=Nc2ccccc2)no1 920354962 IUUBKRZXTQBVLQ-IBGZPJMESA-N 488.491 5.162 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2cc(C)on2)C1=O 920359400 LQWPYJVJCXCJFU-QHCPKHFHSA-N 492.601 5.276 30 20 JKED C=CCn1c(C)cc(C(=O)COC(=O)CCc2ncc(-c3ccccc3Br)o2)c1C 920590532 DVQNAKMIIBXNNA-UHFFFAOYSA-N 471.351 5.067 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 920982330 DUOMGSLLTUDCBA-HSZRJFAPSA-N 489.597 5.143 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)CCO2)C1 1779240830 HNVZECGZCLUBQR-GDLZYMKVSA-N 496.648 5.076 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785793001 OULRPPLYPWLGHP-QFIPXVFZSA-N 465.981 5.142 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3-n3nccn3)CCC2)cc1 1785843414 YNUQDZCNWUWOER-UHFFFAOYSA-N 457.578 5.007 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc(Cl)n4)cc3)CCC2)c1 1786957303 CTABTIQGWDWTOG-GOSISDBHSA-N 472.976 5.352 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)(F)F)nc4ccccc34)CCC2)cc1 1787886522 DKOPBZSDTBOOKA-UHFFFAOYSA-N 466.463 5.305 30 20 JKED CN(Cc1ccccc1)[C@@H](C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1ccccc1 1787888824 DAOHRDIZFRZRBA-MUUNZHRXSA-N 480.612 5.298 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312499 KKQHATIUFJGRJV-FQEVSTJZSA-N 474.051 5.652 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)Nc3ccc(C4(NC(=O)CCC#N)CCC4)cc3)c2c1 1788338042 OLFNQPBULXBHPK-UHFFFAOYSA-N 473.573 5.691 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cnc5c(Cl)cccn45)cc3)CCC2)c1 1788387230 XYCQYYLCPCPTBN-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3=C4c5ccccc5C(=O)N4CC3)CCC2)cc1 1789456634 XXHVBTOKJJZWCH-JOCHJYFZSA-N 481.596 5.160 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c[nH]nc5c4)CCC3)cc2)c1Cl 1790081786 MWLOYOHOBOKEAY-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C/C(=C\c1cccnc1)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767778 KOEGHRIJUKIZOV-NBVRZTHBSA-N 470.960 5.458 30 20 JKED COc1cc2c(O)cccc2cc1C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)ON=C(C)C)CCC2)cc1 1790930062 RDHMFIBZDBKDGB-GOSISDBHSA-N 489.572 5.103 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3scnc3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204067 KPTICYOWGCKHSG-FQEVSTJZSA-N 498.649 5.059 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(C(F)(F)F)ccc5[nH]4)CCC3)cc2)CCC1 1792230436 NQBMWIQXVRKBFB-UHFFFAOYSA-N 480.490 5.628 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(Br)ccc5[nH]4)CCC3)cc2)CCC1 1792230469 RIKPXLULLYIBNI-UHFFFAOYSA-N 491.389 5.372 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1cccc(Br)c1 1793474796 VFPVFMZAAGGTMZ-WKCHPHFGSA-N 491.470 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCc1ccnc(-c3cc(C)ccn3)c1)C2 1798337662 RHYIBAJVXUTTBY-XDZVQPMWSA-N 486.660 5.181 30 20 JKED Cc1cccc(C)c1SCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC#C[Si](C)(C)C 1798420345 IBRGRYDDXSRASM-NUNAXRQHSA-N 470.755 5.085 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1c[nH]c3ccc(F)cc13)C2)c1ccccc1 1798556523 RPJRPOJDQFKJGY-XDZVQPMWSA-N 485.603 5.075 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)cc1 1799145691 CXONQBORSHBSRE-NUNAXRQHSA-N 494.620 5.528 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc(C#N)cc2)C3)cc1 1800603500 GMQPBJLIJQIJRY-OOSCYNTBSA-N 463.581 5.028 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2C(F)(F)F)C3)cc(C(F)(F)F)c1 1800741014 VEVGQCIGVXAJNR-BCDXTJNWSA-N 495.423 5.161 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([C@H](C)C(F)(F)F)cc1 1801457801 NJUXBMGDMQHCBS-CZIXKKEKSA-N 462.556 5.302 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1803091780 RENSGRMPMUZDNU-FDDCHVKYSA-N 473.951 5.101 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(F)CCCCC1(F)F)C2 1803858930 CQCYYWDOOCKIIP-IGMJJTELSA-N 480.424 5.014 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1806448739 OTKFRYNYEUUSPM-QCIZPPPGSA-N 494.639 5.032 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@@H]1c1cccnc1 1808577675 KUWSCVKUVAJCNB-JLMWRMLUSA-N 476.543 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1809158989 PHJHMQUMHGIDKH-RCZVLFRGSA-N 457.574 5.224 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@@H]1c1cccnc1 1810172004 MKIFZYBNKGUMGF-ITLAICGJSA-N 494.639 5.540 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@@H]1c1cccnc1 1810492532 OUJFZTLNMHUFBX-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1810500001 KILDSOKJVZLVJG-SGHYXFRMSA-N 471.601 5.539 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)[C@@H]1c1cccnc1 1810503479 RFYGPRDRGXRGOD-SKDKGQFXSA-N 482.024 5.152 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccnc1 1810505451 UXYBDIFKPSQUKC-UKILVPOCSA-N 463.622 5.182 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3cnco3)c2)[C@H]1c1cccnc1 1811371528 GWTUTUOPRHIPNG-UKILVPOCSA-N 472.589 5.049 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)cc12 1811418821 ATWRXPYESGFGMG-FNZWTVRRSA-N 497.986 5.030 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1813953794 MCXXMIWABWDTCC-VPUSJEBWSA-N 451.570 5.034 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)C#N)n[nH]1 1814573642 ZVUXUULPDCBZIL-NRFANRHFSA-N 487.645 5.026 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c1 1814739178 OBFYIABZNBQIMC-JOCHJYFZSA-N 479.943 5.013 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(-c4ccccc4)n3)n[nH]2)c1 1818197705 GQZDNYPIKKAYHQ-RUZDIDTESA-N 494.530 5.102 30 20 JKED Cc1nc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)c2s1 1818534278 UHOYVDRMOJVACH-QHCPKHFHSA-N 498.612 5.138 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818605360 DCYNZEASCGRZKS-SFHVURJKSA-N 473.911 5.129 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 1819552321 KEUADXABHFNSNL-IBGZPJMESA-N 487.988 5.199 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3Cl)n[nH]2)cc1C#N 1820427680 VKTSJRYROAORSX-QFIPXVFZSA-N 491.979 5.342 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2C(F)(F)F)n[nH]1 1820468706 QNVNRLLVYALAPO-OXJNMPFZSA-N 460.500 5.503 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)cc1 1820525851 IOHLHVXSQKCQLS-QFIPXVFZSA-N 495.505 5.239 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1)c1ccc(F)cc1 1821183310 VJKPUAFULUCBPU-RSXGOPAZSA-N 487.579 5.361 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c(Cl)c1 1821277420 ZWJUSDWDVTZNBJ-QHCPKHFHSA-N 473.964 5.432 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3n[nH]c4ccc(C#N)cc34)n[nH]2)CC1 1821382970 JIMKFLWCSBMJBN-LYHRCORUSA-N 487.608 5.070 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)[nH]n1 1821925498 UWZHLJUXTWDQQJ-IIBYNOLFSA-N 499.587 5.414 30 20 JKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)CC1 1822226689 UDSASLQBWYLXIT-BLPXFNDVSA-N 468.623 5.119 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2cccnc2)n[nH]1)c1ccccc1 1822760806 YHOXPVRRFHNMLC-LPUCNNDASA-N 481.600 5.098 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)[nH]n2)c1 1823215042 MBWCAOFFPWXZMX-JTSKRJEESA-N 467.529 5.403 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccc(-c2ccccc2)cc1 1823287431 SZSWWXVJUUUZPG-HGFFDCOOSA-N 481.556 5.095 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1 1823750484 AVCDVVZVVAFNLG-XMMPIXPASA-N 479.665 5.017 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 1824138297 YZMMWMNIMXWUOI-RUZDIDTESA-N 461.606 5.343 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824989172 ANIKIICSASVDKO-QFIPXVFZSA-N 482.999 5.330 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)CC1 1825000128 KDCPYPXSEVFINQ-XMMPIXPASA-N 475.073 5.503 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826781449 OUXOVQNGMDLKAO-JXRJAUPSSA-N 489.704 5.753 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)CC1 1827263549 MSEQQODALWBMIJ-VWLOTQADSA-N 481.040 5.075 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CC1 1828351578 KKPWDRYOTJKJIY-ZEQKJWHPSA-N 477.649 5.325 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)cc1 1828456898 YVLDERFPISCQND-NXBJLNSTSA-N 475.677 5.327 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)c1 1828458201 QOVBWTZKNXSAOF-YMOPEUHTSA-N 491.676 5.407 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828496664 BAPNDZWROCINKM-BVZFJXPGSA-N 468.041 5.642 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c1 1828679187 VAANARFRSVHOJY-DFBJGRDBSA-N 486.641 5.470 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1 1828827309 KWWSVXYHSJZXMG-DHIUTWEWSA-N 460.565 5.290 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(F)cc2)CC1)c1ccccc1 1829032542 KOOACUBJYUUECZ-VSGBNLITSA-N 490.619 5.021 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1)c1ccccc1 1829035975 YCZOHULHWNTAOI-LOYHVIPDSA-N 499.699 5.448 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562562 DRILUIKHLHLQRT-GBXCKJPGSA-N 475.658 5.158 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)cc1C#N 1829896281 KXBKTCABYFNMSM-VWLOTQADSA-N 494.035 5.546 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)c1 1830001430 CCEDQEKNVDNAQP-XMMPIXPASA-N 494.433 5.176 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830171838 BPSXYJCASMRWAB-AREMUKBSSA-N 460.618 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1830399089 WYEOQCATLAUHEY-PKTZIBPZSA-N 491.717 5.292 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1)C(F)(F)F 1830471565 JLBHDWJSOQGKPW-FQEVSTJZSA-N 486.962 5.479 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(O)nn3)cc2)CC1 1830796084 SZTQIHUEYJANFA-RUZDIDTESA-N 490.648 5.075 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1831374975 WKIJZZAYEIAMEU-VGOFRKELSA-N 465.009 5.323 30 20 JKED COc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)S)CC2)cc2ccccc2c1Cl 1831844212 RQZPVXXTGWNPBH-HRAATJIYSA-N 475.054 5.053 30 20 JKED Cc1scc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1832635309 ZKXZRWNBWAWXDI-IQGLISFBSA-N 463.647 5.539 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3OC(F)F)CC2)c1 1832678516 QHUSFUFRZBANLG-NTKDMRAZSA-N 495.570 5.462 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699143 SZLNFCGHDMXYRB-SANMLTNESA-N 462.659 5.506 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cccs3)CC2)cc1C#N 1832701372 FGXFKCBTDWICGT-VMQHTIDMSA-N 491.657 5.354 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)CC1 1838222407 WDDNZVQSCQVYRZ-UHFFFAOYSA-N 486.653 5.645 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC2(CCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)C1 1846879743 YAAMWPUWPYFCLM-UHFFFAOYSA-N 486.399 5.092 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(Cl)cc1Cl 9847935 ZTMSAZGTNAQEFI-UHFFFAOYSA-N 491.400 5.020 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc3c(c2)CCCC3)c(C)s1 10172895 IPOJPMCSBLBFPO-UHFFFAOYSA-O 487.617 6.184 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10758141 KXUUBVNSNZZVHN-UHFFFAOYSA-O 471.961 5.151 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1cccc(Cl)c1C 11257165 WSBBJGBPGWDAMP-UHFFFAOYSA-O 469.030 5.697 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2ccc(N(C)C)cc2)cc1F 14872350 YBSZTYWUOAZBKD-UHFFFAOYSA-O 487.418 5.301 30 20 JKED Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)cc1F 16939112 WXPDKFFQDLQDDD-HNNXBMFYSA-N 460.745 5.342 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CC[C@H](C)C3 20039193 YUQTUWQTDIEXDG-GJZGRUSLSA-N 464.616 5.672 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@H]1COc2ccccc2O1 21089145 GYVDOFYVZMPGDP-QGZVFWFLSA-N 477.373 5.014 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(SC(F)F)cc1 22690159 IJQWOUBFYRHTSH-UHFFFAOYSA-O 457.591 6.211 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 22693431 HJPXDKLWDPCKMN-UHFFFAOYSA-O 458.519 5.100 30 20 JKED C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)N(CCC#N)c1ccc(F)cc1 23501024 SWBHAQMFIDYDFW-CYBMUJFWSA-N 479.027 5.883 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c3c(C)noc3n2)c(C)o1 28673845 PABPOFZQOYZARM-CQSZACIVSA-N 490.541 5.014 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@@H]2C)c1 30547718 NBTQTRVDJJIEFA-KRWDZBQOSA-N 487.046 5.542 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 32291756 AEEWWEXFNXUPLF-UHFFFAOYSA-N 497.576 5.215 30 20 JKED C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)c1ccc(C#N)cc1 33180312 WSXKLXOTYROZDM-CYBMUJFWSA-N 464.308 5.157 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4S[C@H](C)CC#N)c(=O)c23)cc1 78720055 CVXFDZMVBYZIBM-GOSISDBHSA-N 488.638 5.857 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 109644372 OGJUXGODIBDUGU-UHFFFAOYSA-N 482.397 5.045 30 20 JKED CCOc1cc(C#N)ccc1OC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 109707132 IHWGIWYICFIJIB-UHFFFAOYSA-N 451.529 5.375 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc(-c3ccccc3)nc21 195557446 USFLCGUENPBRAQ-GOSISDBHSA-N 470.483 5.914 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1ccccc1F 195568996 UBUBENUWDGISCE-MRXNPFEDSA-N 454.596 5.280 30 20 JKED N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc(-c2ccncc2)cs1 195662680 NQBZHFHQNJOHRO-HXUWFJFHSA-N 452.514 5.837 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 303289224 MCXBNKUOIHCFMQ-GFCCVEGCSA-N 455.483 5.596 30 20 JKED N#CCCSc1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 303326013 VKXMGUZNXDYWMS-UHFFFAOYSA-N 458.406 5.760 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 409476964 UTIGFEFTYCKMCM-FQEVSTJZSA-N 491.792 5.462 30 20 JKED C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](C)O1 483058472 KHDITGMOLKZHOK-OYRHEFFESA-N 471.626 5.249 30 20 JKED CCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 485711469 VPVHNQKSAYPQEX-UHFFFAOYSA-N 450.354 5.241 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4nc(N)c(C#N)cc4C#N)cc3)sc2c1 487293649 RIEHZTGOPFLZTR-AWEZNQCLSA-N 470.583 5.112 30 20 JKED CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)c1ccccc1O2 500117536 QTGVUXOICIGESQ-XMMPIXPASA-N 471.532 5.208 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 502682967 YHQHDAJKXAJIKE-UHFFFAOYSA-N 488.279 5.100 30 20 JKED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 503733528 WLKWDZPKOSYCGG-DEOSSOPVSA-N 483.549 5.037 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507904468 VEECVIKMDOZPCB-VWLOTQADSA-N 466.541 5.154 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 508361273 RPFUXICKNTXTLB-UHFFFAOYSA-N 469.383 5.133 30 20 JKED C=CCn1c(SC[C@@H](O)COCc2cccs2)nc2cc(-c3ccccc3)sc2c1=O 508582067 KWYQYNGRPXFBSW-KRWDZBQOSA-N 470.641 5.042 30 20 JKED N#Cc1c(NC(=O)CCc2nnc(-c3cc(F)ccc3Br)o2)sc2c1CCCC2 508909136 UVIZABOPZCRRRX-UHFFFAOYSA-N 475.343 5.021 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccccc3OC3CCCC3)s2)cc1 510206787 FNEYRXKXPXYPEV-UHFFFAOYSA-N 465.604 5.345 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 512197299 PHNPCSFKTAGBRT-UHFFFAOYSA-N 495.564 5.938 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C#N)c2ccc(F)cc2)c(OC)c1 513007353 NTLJIJFDQGLMFM-XMMPIXPASA-N 457.505 5.305 30 20 JKED C=CCN(C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc(-c2ccccc2)cs1 516072373 ITNNHCCCBNSHOA-UHFFFAOYSA-N 459.527 5.253 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517126685 UIVLUXZCRYODMG-UHFFFAOYSA-N 487.947 6.097 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 518870710 FSPBTFOGVFIJQI-AWEZNQCLSA-N 491.548 5.897 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)nc2C)nnc1-c1ccc(Cl)cc1Cl 519963581 CRCTXTDVNNUJBM-UHFFFAOYSA-N 462.406 5.489 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)c1 520889479 IJEJWYXOXPSYKL-NRFANRHFSA-N 484.339 5.014 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 521720787 URLHOMZPDASLAA-QGZVFWFLSA-N 490.610 5.020 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(I)c1 521796737 GFEWIKSIGXYJKC-LLVKDONJSA-N 456.736 5.591 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)cc2)c1 524412617 QSOCTBMUBKGJNT-UHFFFAOYSA-N 469.928 5.253 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](CN3CCCC3=O)c3ccccc3)cc2Cl)c1 524438047 LGSQZCQZBOCENA-XMMPIXPASA-N 488.975 5.276 30 20 JKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 524563292 IXLDOBCFOMMIHE-GFCCVEGCSA-N 471.451 5.147 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 552281459 WPIDMWDSYMLNNX-UHFFFAOYSA-N 493.361 5.572 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)nc21 552969779 YIJGMODLXDUXAW-MRXNPFEDSA-N 476.631 5.372 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 589757807 JRTIHYNQSOJQSN-VLXAULBPSA-N 476.820 5.472 30 20 JKED Cc1c(C#N)c(NC(=O)CCN(C)Cc2ccc(Cl)c(Cl)c2)n(Cc2ccco2)c1C 590613839 AQDCSBOJSQWPIG-UHFFFAOYSA-N 459.377 5.385 30 20 JKED CC(C)CN(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)c1ccc(C#N)cc1 603529003 LUEFRODBLRTPGM-UHFFFAOYSA-N 482.005 5.340 30 20 JKED Cc1nc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)sc1SCC#N 603775820 AZNMJJSNDIXNFT-UHFFFAOYSA-N 469.588 6.252 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1 608785118 OUXATMYLRALIST-UHFFFAOYSA-N 456.521 5.054 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1 608804718 ICPISBHKUAOMOO-UHFFFAOYSA-N 455.445 5.374 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1 609067197 XBZJGLVFXPPDOO-UHFFFAOYSA-N 486.272 5.427 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 609382825 UHATZHRENSLZEM-MRXNPFEDSA-N 469.563 5.131 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3nc(-c4ccccc4)oc3-c3ccccc3)CC2)c1 609426318 PBQQFGMWLXUGSG-UHFFFAOYSA-N 476.536 5.371 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804112 AAKVJOJOMQCADY-HUUCEWRRSA-N 494.455 5.699 30 20 JKED C=CCn1c(SCc2csc(-c3cnn(C)c3)n2)nnc1-c1ccc(C(C)(C)C)cc1 613933780 XFUPUQACJMETHA-UHFFFAOYSA-N 450.637 5.578 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccn2)nnc1-c1ccc(Cl)cc1Cl 620860933 ALLFSZZUTRTJOO-AWEZNQCLSA-N 462.406 5.145 30 20 JKED C=CCN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2c(s1)CCCC2 623331820 STXOHSHBJNVJCW-QFIPXVFZSA-N 480.033 5.756 30 20 JKED O=C(NCc1ccc(Oc2cccc(F)c2)nc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 623654400 AWEZWXRHWWISIK-KBPBESRZSA-N 479.396 5.722 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](c2ccccc2)C2CC2)cn1 726112277 NFVFRKABFYZFER-ILBGXUMGSA-N 487.629 5.323 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCC(C)C)cn1 726116725 JRYRQYMSPLDMRR-QGZVFWFLSA-N 482.437 5.216 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 726397536 IGLKIFDORMYLKW-JPYJTQIMSA-N 461.587 5.225 30 20 JKED O=C(C[C@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 726398617 CYNOJPVMUWJSCP-PLHZELPKSA-N 498.530 5.129 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(F)c2)c1 726414137 XLPYGMPBZMRBLH-QHCPKHFHSA-N 475.520 5.107 30 20 JKED COC1CCN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2C(F)(F)F)CC1 728124388 NWOJOCDPGUEJMA-UHFFFAOYSA-N 474.527 5.635 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4csc(N5CCOCC5)n4)cc3)c2)cc1 728462947 VLUKENOTILXXDL-UHFFFAOYSA-N 482.565 5.563 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CCCCC#N)C1=O 728776659 CZHKGLOVHFUPGL-QFIPXVFZSA-N 499.036 5.620 30 20 JKED CCOc1ccc(OCc2nn(CN(C)[C@@H](C)CC#N)c(=S)n2-c2ccc(Cl)cc2)cc1 728902909 XZURWNMURJGOTF-KRWDZBQOSA-N 472.014 5.226 30 20 JKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2sc3cc(Br)ccc3c2Cl)c1 729823999 CUTKULRWKGGPNN-UHFFFAOYSA-N 461.768 5.009 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CCC2)cc1F 730460745 DHRGMPJPJIBHCK-LJQANCHMSA-N 490.398 5.409 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c3c2CCC3)c(F)c1 730687439 WSVMVVUFMAMHKW-KRWDZBQOSA-N 484.503 5.084 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](COc2ccccc2)c2ccccc2)cc1 730914989 DCICKGLZGOGDFY-IZLXSDGUSA-N 475.548 5.217 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 731070577 VABWDVKLAPNCEB-LBPRGKRZSA-N 462.358 5.664 30 20 JKED Cc1sc(NC(=O)C(C)C)c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1C 731079216 CNURNQOCDMKYLF-CQSZACIVSA-N 473.620 5.007 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCCC#N)cc1 731307948 JVWGKORIXLLQCU-JOCHJYFZSA-N 464.591 5.170 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Oc3ccccc3)cc2)cs1)c1ccc(F)cc1F 745998452 KWIXVUMVMZNKER-UVTDQMKNSA-N 476.504 6.794 30 20 JKED COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccc(Cl)cc3)c2C)ccc1S(=O)(=O)C(F)F 747067623 ZGNLLKDLVITYIK-KTKRTIGZSA-N 480.920 5.044 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O 747600951 RRUIBPRRMWPZPJ-OAQYLSRUSA-N 480.615 5.092 30 20 JKED CO[C@H](C)CC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 750152487 DCOMAMFNZXWARU-MNDMWVCDSA-N 468.575 5.206 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CC(F)(F)F)C1=O 799220743 HDQAQLAEJDAHFQ-SFHVURJKSA-N 499.942 5.488 30 20 JKED COc1c(O)cccc1/C=C1/CC(C#N)(c2ccccc2)C/C(=C/c2cccc(O)c2OC)C1=O 810221250 DGXOIESSMWYIPG-HHQODBOJSA-N 467.521 5.406 30 20 JKED Cc1nc(CSc2ccc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cc2)cs1 818118921 TZAKNBBAFYRXCU-UHFFFAOYSA-N 475.595 5.652 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837837523 PXUYFRXIHATCTD-VGOFRKELSA-N 462.550 5.251 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)O[C@@H](C)C(=O)NC4(C#N)CCCCC4)c23)cc1 842865332 ULQYQDKTCSRNQG-KRWDZBQOSA-N 494.642 5.033 30 20 JKED C[C@@H](OC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C#N 843419123 QRFOWUSUPWXSIL-ZHRWSRJISA-N 456.342 5.179 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2OC(F)F)c1 860294504 AYHZTPLAEJPGHN-UHFFFAOYSA-N 492.931 5.575 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 914689838 BCEPVNBJBLIVLM-YCRPNKLZSA-N 469.513 5.149 30 20 JKED CS(=O)(=O)c1ccc(NN=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 914835504 GUFVTZKGHCMQNR-UHFFFAOYSA-N 462.358 5.095 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 915107369 RNMHSJDIDNYAMA-SFHVURJKSA-N 450.445 5.034 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915199584 GCTCWUFZBMKVHX-QHCPKHFHSA-N 453.571 5.216 30 20 JKED CC(=O)N(c1nc(C=NNC(=S)Nc2cc(C)ccc2C)cs1)c1ccc(F)cc1F 915912156 LGTIOVXWKZFMLI-UHFFFAOYSA-N 459.547 5.043 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CC(C)C)C2=O)c(OC)c1 916205863 SOIFDRVWWIJYQS-HXUWFJFHSA-N 493.988 5.113 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(OC(F)F)cc1 916208974 BOKOSWUBZXYBDI-GOSISDBHSA-N 483.487 5.183 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916210336 BSKCWUKNFMDQHV-MAUKXSAKSA-N 496.391 5.272 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccc3)C2=O)cc1OC 916210354 CGXTWGLAGWTJAG-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCCCC[C@H](C)CNC(=S)NN=Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 916276102 LAUCTXASTFHYDU-AWEZNQCLSA-N 467.611 5.120 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)c1ccccc1 916622802 LZOUOFAGMUDBBR-GOSISDBHSA-N 462.937 5.695 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1nc2ccccc2s1 916627289 LEMKHCQCNJIISD-INIZCTEOSA-N 474.007 5.004 30 20 JKED O=C(/C=C\c1nc2ccccc2s1)C(c1nc2ccccc2s1)c1nc2ccccc2s1 916844830 FBVUTLWBCGANRH-YPKPFQOOSA-N 469.616 6.930 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916901588 LONCJQCMRBMLSN-ZDUSSCGKSA-N 481.986 5.956 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916918203 NPQGWXPFUQQNIM-LJQANCHMSA-N 487.968 6.077 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)cs1 916919241 VGFQZIGEUJGXGT-QFIPXVFZSA-N 457.580 5.858 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1 916950190 SHHVYDKAFPRYGM-QVKFZJNVSA-N 465.351 5.109 30 20 JKED N#C[C@H](C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1 917043619 LBCQYVWKZINEEB-GFCCVEGCSA-N 468.844 5.555 30 20 JKED Cc1nc2sccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 917579834 HXFUNIHZIFAHNB-UHFFFAOYSA-N 490.386 5.264 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Oc3ccccc3)cc2)cc1 917612462 RWOWJTNVCLXLIK-UHFFFAOYSA-O 464.570 6.270 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1[C@H](C)c1cccnc1 917661978 VCICOQNCSYXLQN-NTKDMRAZSA-N 487.629 5.178 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CCc2ccc(Cl)s2)C1=O 917696597 XKWJUZYDZJDBOV-AWEZNQCLSA-N 476.838 5.019 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 917751805 OZYLWNJRHKASHC-INIZCTEOSA-N 465.402 5.650 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 920110349 OUKIGRQAGZYBFP-KRWDZBQOSA-N 458.008 5.758 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(C(C)C)cc2)no1 920353751 RKHXMVOCZMIARM-QFIPXVFZSA-N 498.555 5.545 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@H]2c2ccccc2)cc1 920354758 FWFYKCOZPVMJJV-QQSVUBKYSA-N 491.657 5.017 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3c(C)noc3C)C2=O)c1 920355104 KGPBZVGZTZBXDF-QHCPKHFHSA-N 492.601 5.077 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3c(C)noc3C)C2=O)c1 920355799 OYQCRNWRZDGWPV-OAQYLSRUSA-N 498.992 5.114 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(OC)c1 920870262 RSGFLWGUDIHXPI-HOYKHHGWSA-N 491.613 5.091 30 20 JKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 920892262 KFHMCAMEBIDCTF-WIYYLYMNSA-N 472.589 5.778 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2Oc2ccccc2)C1 1780300408 MFZHEGDPBBACEP-UCVANPEUSA-N 488.628 5.375 30 20 JKED C[C@@H](NNc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1785851516 LXZYOAXTSDUEJD-LEWJYISDSA-N 481.600 5.067 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CCOc4ccc(F)cc4)cc3)CCC2)c1 1785987293 ZCKKQWDOVOBZAJ-UHFFFAOYSA-N 475.495 5.053 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3Cl)CCC2)cc1 1786360158 DDEYGLAPWBWGEY-OAHLLOKOSA-N 478.898 5.145 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CCC2)cc1 1786370804 CIMDTHBFGQMWEB-QGZVFWFLSA-N 478.980 5.069 30 20 JKED COc1cccnc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1786828871 GKQQRQDSMVYUMZ-FQEVSTJZSA-N 482.584 5.098 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)c(C(F)(F)F)o1 1787399505 QWXSIFNKEAMHDB-UHFFFAOYSA-N 497.473 5.305 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCC(=O)c3ccc(OC)cc3)cc2)CCC1 1787692575 QJCDYXGNBPWESR-RUZDIDTESA-N 474.601 5.561 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3SCc3ccccc3)CCC2)cc1 1787886573 IQPFSGOMNKDZCE-UHFFFAOYSA-N 470.598 5.425 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787950208 SIRIJOKRBOZCIA-ADXHGGABSA-N 487.644 5.072 30 20 JKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)[C@H](S)C(C)C)CCC4)cc3)c2s1 1788943896 HOZOQBPGAGZEFK-HXUWFJFHSA-N 453.633 5.307 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nc[nH]c5c4)cc3)CCC2)c1Cl 1789279899 XIUMZIRMWWPXSA-UHFFFAOYSA-N 469.932 5.149 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)ccn1 1789752200 GLPLQOJRYWDHOP-UHFFFAOYSA-N 468.557 5.110 30 20 JKED CCc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1789816231 XTXDCDDWHMXVBX-UHFFFAOYSA-N 496.489 5.497 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cnn(C)c3Cl)cc2)CCC1)c1ccccc1 1789939032 QLTFLZPLGTWHRU-JOCHJYFZSA-N 474.992 5.018 30 20 JKED Cc1cc(-c2cc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)c[nH]5)cc4)CCC3)n[nH]2)ccc1Cl 1790144441 LPSROLDKYIPIIB-UHFFFAOYSA-N 498.974 5.300 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)CC=C)CCC2)cc1 1790519614 PRPYNHBDSGJKLG-FQEVSTJZSA-N 491.579 5.191 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1790549838 QFGIXIXHNFTSLX-RBBNJCGNSA-N 495.664 5.272 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1790568108 MWTVLEFIQAJAOL-HXUWFJFHSA-N 470.573 5.297 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)cc(C(F)(F)F)c1 1790819179 AXCXSQONGABROV-UHFFFAOYSA-N 471.479 5.156 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)cc2)CCC1 1791137615 XOYGCDMRTMCHDH-LPHOPBHVSA-N 486.538 5.046 30 20 JKED C[C@H](c1ccc(CC(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)cc1)C(F)(F)F 1791147007 WZQCSQFDXOTCRG-QGZVFWFLSA-N 469.507 5.333 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1)c1ccc(O)cc1 1791646488 WAWRUKMJBJMTMR-OAQYLSRUSA-N 483.568 5.203 30 20 JKED Cc1ccncc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792122478 AXCHMVICCPMFJU-OAQYLSRUSA-N 466.585 5.398 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1793051680 XZLZOWBJOCUPGZ-QEIWAGNOSA-N 467.613 5.627 30 20 JKED Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(C#N)nc3C(F)(F)F)sc2c1 1796460013 FAIXCBZZFYWYFC-BCDXTJNWSA-N 498.530 5.061 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3c(Br)cccc3c2)cc1 1798134985 CIGGQOLLTGDGDC-KOUNCHBCSA-N 488.385 5.040 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1)C2 1798421000 ZYVMTSDWBSZBNL-REPLKXPHSA-N 482.594 5.147 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Cl)cccc1Cl 1799547326 RHZJQELQNUQONL-BCDXTJNWSA-N 465.497 5.296 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccc(Cl)cc4[nH]3)[C@@H]2c2cccnc2)c1 1802378658 MAARBZRXDOOJSC-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCNc2ccc(C)cc2C)[C@@H]1c1cccnc1 1802499933 UNHMYQRIDKXUJT-RPLLCQBOSA-N 476.665 5.199 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1802500409 NHDTXHQSGMEHQH-YKSBVNFPSA-N 484.040 5.446 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803222074 LPJDGEMUADJXPM-QFLVKRMUSA-N 493.051 5.265 30 20 JKED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)cc2)c1 1803825091 VIGJZZLKRASKKI-OUOZDZGXSA-N 463.581 5.110 30 20 JKED Cc1csc(CCC(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1804527752 RWIDZKTVLCEFHR-YIXXDRMTSA-N 495.765 5.141 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)C1 1805334084 SDUVKAUQTBGMDP-PKTZIBPZSA-N 496.985 5.005 30 20 JKED N#CCCC(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1806860388 JDAJGTKFMNZIHQ-KXVKLCPVSA-N 479.024 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1810178949 VEANCRWPWSKIKU-CLCZQPDDSA-N 491.607 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1810181374 HTFSUSUSSJUKSZ-CRJMXQGDSA-N 494.079 5.949 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810268310 STVDIUGMUXXIIL-GJZUVCINSA-N 496.127 5.414 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3ccncc23)[C@@H]1c1cccnc1 1810271697 IZXYPHOSWNIMMV-UFHPHHKVSA-N 498.703 5.001 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1810489805 OFCRUNCPSQASFG-KNQAVFIVSA-N 489.538 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2C(C)(C)C)[C@H]1c1cccnc1 1810494534 HPANVWHSUIILJG-GMAHTHKFSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccnc1 1810504627 GZYRMFSEOLTCBB-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1811057001 PHZPVEAVNQCNAK-ISKFKSNPSA-N 488.657 5.517 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2F)[C@@H]1c1cccnc1 1811400139 MNIRKACNMARPSS-YKSBVNFPSA-N 462.569 5.014 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Cc2ccc(F)cc2)[C@H]1c1cccnc1 1812469499 ZSQDRKGQJADNIR-QFZRFWILSA-N 465.613 5.098 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1812593008 WXQSYYGYHQJQIZ-REDKUUPNSA-N 460.405 5.229 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1812596010 CBUZWICMXJZSTD-JGNKLCKRSA-N 499.630 5.272 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1813223000 FGIBRVPAISIBQI-AJTFRIOCSA-N 490.003 5.508 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1814569165 INWYFXNCMPJDBC-QFIPXVFZSA-N 459.525 5.071 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccsc3)n[nH]2)c1 1815984596 GVVMRZRCUUOBML-PRMYQBBISA-N 459.575 5.118 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccccc2)[nH]n1)c1cc2c(Cl)cncc2s1 1817679816 RNGNLGUIHGUWOV-HXUWFJFHSA-N 489.988 5.030 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2Cl)[nH]n1 1818117432 PQRKNAVOVRLFBM-OAGJVSPASA-N 486.956 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)n[nH]1 1818598313 DTBUGBHHGUVFIC-KSFYIVLOSA-N 467.520 5.244 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc(F)c3)CC2)[nH]n1 1819302858 NSBCBWJVXYVQMK-IRLDBZIGSA-N 450.558 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)[nH]n1 1819311041 JFIPYZBKYLUVCF-KBXCAEBGSA-N 462.928 5.416 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)s3)[nH]n2)c1 1820207598 PZMJYYOHNHBACO-HXUWFJFHSA-N 491.617 5.269 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4ccccc4c3Br)n[nH]2)C1 1821534839 PZWCPQNACUJORT-OAQYLSRUSA-N 493.405 5.598 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)[nH]n1 1821921236 QWVNCQGUPDXFDM-DYESRHJHSA-N 450.583 5.031 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)[nH]n1 1822401264 HZAPGDZKZLNPOA-QHCPKHFHSA-N 493.558 5.206 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)[nH]n2)c1 1823212179 GLRYRVHVNZUCHI-CYFREDJKSA-N 467.573 5.074 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)nc2)CC1 1823655603 JEBOBSUYEUULAG-BJKOFHAPSA-N 451.655 5.381 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824055734 CSQRUAQCBINNJI-DFHRPNOPSA-N 482.628 5.051 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H]3Sc4ccccc4[C@H]32)CC1 1824142074 FKGDTQZBEJVZLD-HMNRDNJPSA-N 464.675 5.262 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(=O)OCC)c2F)CC1 1824143507 QBUGBBQIAJOCPT-XMMPIXPASA-N 484.612 5.004 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc(C(F)(F)F)c3)CC2)c1 1825688496 UGSGCFIPGSRNFP-MBSDFSHPSA-N 498.549 5.275 30 20 JKED CC(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)no1 1826156262 UFELNWCEOSTGDD-QHCPKHFHSA-N 471.718 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1827495068 KLRUYXMPANIGTK-OAQYLSRUSA-N 471.045 5.394 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1)c1cccs1 1827682413 AYNMHLZTIXGTQJ-GLJAUCNMSA-N 476.598 5.167 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@@H](S)C(C)C)CC3)cc2n1 1828495557 KNDGFCDEFAHMIT-RPWUZVMVSA-N 488.097 5.384 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828578509 QRIMCBUTAKLAPN-SANMLTNESA-N 463.622 5.178 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)CC1 1828601990 NIVBHPMTYPASIZ-HXUWFJFHSA-N 487.463 5.311 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2Br)CC1 1829069476 ZAKKIANUQHVKMY-HXUWFJFHSA-N 476.459 5.070 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)CC2)cc1 1829288620 ZDXKGSSDVLGVCQ-MHZLTWQESA-N 496.611 5.079 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)c1 1829678929 AUDKJXJXFSLOAP-GDLZYMKVSA-N 495.623 5.196 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829687857 JKLYINDWTXDKNL-OAQYLSRUSA-N 485.415 5.116 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)CC1 1829822335 YBTOZACQQDCPRV-UPVQGACJSA-N 454.659 5.028 30 20 JKED Cc1cc(Br)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830017456 YREJKLQOLCPQGT-XMMPIXPASA-N 494.433 5.176 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830102295 FZJKNPKWRJMTHG-AREMUKBSSA-N 494.035 5.548 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831296899 LCWJRULTUDXOJH-DNQXCXABSA-N 476.583 5.636 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1831448744 RIHASFXYANLWHV-QHCPKHFHSA-N 478.649 5.449 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1832025249 SKDMYKKRNZGSBB-XMMPIXPASA-N 454.014 5.248 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c(C)n1 1832091278 CXDUQUDUOJYNDG-AREMUKBSSA-N 493.051 5.090 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1832349284 CPGBVMMTCZCFBI-BYUVYSIJSA-N 485.770 5.136 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)c1 1832631711 HDZWMZPPGACMGS-FQRUVTKNSA-N 468.601 5.342 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)CCC1 1832788590 XLFZXCRANVZLKV-NRFANRHFSA-N 495.973 5.215 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10170960 FRSFBWGFXDYBRF-UHFFFAOYSA-O 498.584 6.288 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 10178826 MEMLVTWVMWXUPF-UHFFFAOYSA-O 499.056 5.589 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)nnc1-c1cccc(C)c1 10241259 DRAVYUYPMANDKJ-VWLOTQADSA-N 492.645 5.206 30 20 JKED Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 12481422 BMSSJMFMGRKAMH-UHFFFAOYSA-N 462.575 5.319 30 20 JKED CCCCSc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)s1 16670491 JBONURZZZCKBCE-UHFFFAOYSA-N 463.698 5.956 30 20 JKED C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1ccc(C#N)c(Cl)c1 16872558 SUPSFVSMJXSISE-QMMMGPOBSA-N 460.268 5.046 30 20 JKED N#CCCN(C(=O)CSc1nc(C(F)(F)F)nc2ccccc12)c1cccc(Cl)c1 22248846 MVEXQBTYAMWVFF-UHFFFAOYSA-N 450.873 5.341 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1 22731089 GEPXHTHZFKRGBU-UHFFFAOYSA-O 462.378 5.436 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)cc1 22733414 WWRYRYINSFRBFK-UHFFFAOYSA-O 491.633 5.492 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nc2sc3c(c2c1=O)CCC3 23405251 YZEKGOIMIBERDC-GFCCVEGCSA-N 490.448 5.015 30 20 JKED Cc1ccc(-n2ncc(/C(O)=N/c3nc(CN4C[C@H](C)O[C@H](C)C4)cs3)c2C(C)C)cc1 28934266 DAUUKQUNZNYWFA-HDICACEKSA-N 453.612 5.006 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cccn3)cc2)c1 32241617 RJFZXYZCHIVYPD-UHFFFAOYSA-N 492.988 5.159 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 32785764 SQOZSFHPKWVDMP-NRFANRHFSA-N 468.626 5.765 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2ccccc2)n1 32787248 ILHBWDMXFYJXAD-UHFFFAOYSA-N 461.616 5.488 30 20 JKED Cc1c(C#N)c(NC(=O)CSC2=Nc3ccccc3CS2)n(Cc2ccc(F)cc2)c1C 45546175 KICUPSVOIWJWKO-UHFFFAOYSA-N 464.591 5.770 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2C(C)C)c1 69057110 YAQOMRVGLLOGSW-UHFFFAOYSA-N 492.523 5.116 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1cn(-c2ccccc2)nc1-c1ccccc1)CCCC3 254288920 MPRKYNAPSBJODW-UHFFFAOYSA-N 451.555 5.072 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 303008581 OGKYDRJXQIHRGB-QHCPKHFHSA-N 466.651 5.157 30 20 JKED Cc1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1I 303240758 JNPWKATVVIDDBY-OAQYLSRUSA-N 482.321 5.173 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491051190 NZIHXCAJAHVPNM-UHFFFAOYSA-N 474.607 5.713 30 20 JKED C=CCn1c(C)cc(C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1C 501056195 JSSXPNKPGZFONR-UHFFFAOYSA-N 452.363 5.535 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 504156189 OTIXUIUKQJPQKP-SANMLTNESA-N 458.993 5.219 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 505530928 WRWDGVQARKBDJA-UNMCSNQZSA-N 452.501 6.155 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 506844646 QYVQKECWQCQJHH-FQEVSTJZSA-N 470.579 6.084 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1Cl 510021887 AZCMWUPYTQCCRM-DEOSSOPVSA-N 466.972 6.798 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510041406 CYFFMYGLGALJJD-NOZRDPDXSA-N 490.003 6.217 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1 511345491 ZMCSWNNBFMBXSM-UHFFFAOYSA-N 482.515 5.980 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1nc2ccccc2s1 513670871 CRFCJXGKSNVZOW-GOSISDBHSA-N 476.355 5.801 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3NC(=O)c3cccs3)n2)cc1 516714235 WLASDLRUSRROFB-SFHVURJKSA-N 459.552 5.623 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)s2)cc1 517115711 YRPRTNJDLDDAGZ-LJQANCHMSA-N 453.568 5.504 30 20 JKED C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@H](C)O1 517769329 GWDIHDCDBKMXIO-SFTDATJTSA-N 499.636 5.030 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4C)c3C(F)(F)F)n2)cc1 517800880 MVQIXTSMWXGEHL-KRWDZBQOSA-N 482.487 5.822 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1ccccc1Br 517856414 HSFZNNBQWLVYPU-UHFFFAOYSA-N 478.346 5.019 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 518129912 FGBTVRAAEPSRTP-INIZCTEOSA-N 476.652 6.341 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c2ccc(F)cc2Cl)cc1 518152191 ZMBYDVXJNPGBED-XMMPIXPASA-N 479.939 5.314 30 20 JKED N#Cc1ccc(CCC(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)cc1 518171011 LSXQSGCROVGLOE-OAQYLSRUSA-N 496.430 5.589 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1SCCC#N 519404265 HRFSNDWXGFWPMN-UHFFFAOYSA-N 455.992 6.220 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)cc1 519433844 FNXMEFQFOYFIRB-IBGZPJMESA-N 453.567 6.821 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 519513314 STGPZAIUZSNKTM-UHFFFAOYSA-N 464.613 5.719 30 20 JKED C[C@H](Cc1cccc(Br)c1)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 520046057 MRSOWWLCYMYZAQ-CYBMUJFWSA-N 488.436 5.217 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nnn1-c1ccccc1Cl 520835211 BSUCDNGBYNTMEN-UHFFFAOYSA-N 465.888 5.506 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 520835349 KNADLHPAGMYXCM-IFXJQAMLSA-N 462.402 5.488 30 20 JKED C[C@@H](CNC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1c(Cl)cccc1Cl 523250943 BFLRWQVSSMFXRE-KRWDZBQOSA-N 496.394 5.497 30 20 JKED C=CCc1cc(CNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC 523309498 XTNQSNZKJWPSAQ-GOSISDBHSA-N 491.563 5.384 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4ccc(F)cc4)CC3)cc2Cl)cc1 523613384 QDOSORZTTCQABW-UHFFFAOYSA-N 492.938 6.026 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524437288 FJESUZRFQKRRFV-DEOSSOPVSA-N 461.949 6.168 30 20 JKED Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)Nc2ccccc2SC[C@H](C)C#N)n1 553342497 SARCYIGLARBWQG-CYBMUJFWSA-N 460.390 5.451 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 560988044 GNWSPOQBPBHDQU-UHFFFAOYSA-N 488.891 5.465 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)nnc1-c1ccc(Cl)cc1Cl 569826918 ZPZZTCPEBWTPNL-ZDUSSCGKSA-N 487.416 5.284 30 20 JKED CCOc1cc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 585813454 FPBOMBJEGUNGBR-WDNDVIMCSA-N 467.372 6.026 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)C2)c1 603784723 KAEIXDDXXIKTLE-XMMPIXPASA-N 467.569 5.245 30 20 JKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 603947122 JJLCSMCOCPSRIC-UHFFFAOYSA-N 460.408 5.027 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(NC(=O)c4ccccn4)c3)c2)cc1 604084666 ANUNMOLIGHGFKB-UHFFFAOYSA-N 491.551 5.301 30 20 JKED C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2[N+](=O)[O-])C1 604241800 OAXPQRKQECKCID-QGZVFWFLSA-N 457.490 5.142 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 608991600 JMTFAJTZLXLHBN-BCHFMIIMSA-N 473.646 5.586 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)cn2)c1 608995060 ZDXMXENPESMGEM-OAQYLSRUSA-N 469.328 5.658 30 20 JKED CC(C)(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609088453 YAZQHNBHLXQDQJ-UHFFFAOYSA-N 491.975 5.223 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)no1 609104530 ZUEQBMVPHMAGJW-UHFFFAOYSA-N 474.517 5.512 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 609378616 RXSCDLLGRGZYLQ-GOSISDBHSA-N 475.536 5.131 30 20 JKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 609387300 WGWOZJIGYGCSRW-SJORKVTESA-N 464.616 5.691 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)c(Cl)c1 609438162 DPHOXYMAUCQKNI-KSSFIOAISA-N 464.418 5.984 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1-c1ccc(F)cc1 614508889 ODDIOSMSBONLPK-UHFFFAOYSA-N 479.606 6.012 30 20 JKED Cc1cc(-c2noc(CCC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)n2)ccc1F 615939902 KPSYCYVSRQHZBY-STQMWFEESA-N 467.385 5.142 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccccc1OC 617995814 HTBLUPYGVXSDLS-IBGZPJMESA-N 486.597 6.051 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1cccc(Cl)c1 644450415 RPNHZERTUCFSSF-UHFFFAOYSA-N 463.390 5.471 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 677655623 QDZIKLYAFXHTCU-XMMPIXPASA-N 470.598 5.290 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)S/C2=N/[C@@H](C)c2cccs2)c1 726415251 GMMBNXCAWBPZJG-VAPRLZSCSA-N 493.654 5.024 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)ccc2OC)cc1 726570949 OJIJZXUGQHMMCR-UHFFFAOYSA-O 464.998 5.702 30 20 JKED C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1Cl 727264881 YWOYGIKFOBZWGJ-WJDWOHSUSA-N 450.322 5.885 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2C#N)s1 728424768 HNFCKRVBUAQEOY-GAJHUEQPSA-N 499.621 5.521 30 20 JKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)N(C)Cc1nc2ccccc2s1 728669373 OXYZWCYVKFGJRE-QGZVFWFLSA-N 471.538 5.164 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(CCCCC#N)C2=O)cc1Cl 728778211 RQIBVQWPXXFDFR-OAQYLSRUSA-N 485.009 5.311 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 728779058 XEBCKMQTZDUDGS-IBGZPJMESA-N 474.508 5.360 30 20 JKED O=C(C[C@H](c1ccccc1)C(F)(F)F)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 728970743 XTCQJWBXCZPSRQ-NVXWUHKLSA-N 473.335 5.308 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1 729144583 DSWYDTNIZNRCLI-FQEVSTJZSA-N 482.606 5.314 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1 729767776 VNFGSBASBMADPG-UHFFFAOYSA-N 498.486 5.682 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c1 729781338 VASPUXIMULNUFE-JOCHJYFZSA-N 483.568 5.072 30 20 JKED CCOC(=O)CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 730536067 LJIXYQCAFMXWFS-JOCHJYFZSA-N 499.608 5.055 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1Cc1cocn1 730717754 AYPKUXIRWVSNDC-NRFANRHFSA-N 498.992 5.060 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(c2nc(C(C)(C)C)cs2)CC1 731029679 BZAGDTNRUFFGCX-KRWDZBQOSA-N 456.681 5.653 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1 731063960 SYOQQJVMPIJIDE-IBGZPJMESA-N 493.629 5.139 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1-c1ccc(C#N)cc1 731080755 PLZDTJWQCWWJEK-QGZVFWFLSA-N 472.570 5.013 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4ccccc4S[C@H](C)CC#N)cc3)ccc12 731332278 HVJLWLFNWMEIHT-LJQANCHMSA-N 484.577 6.327 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc4cccnc34)C2=O)c1 744997864 WSAYXWSYMWDMSR-XMMPIXPASA-N 496.592 5.404 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C)c(C)c1 746697029 ZEYBKRSFXYYOEA-JOCHJYFZSA-N 453.608 5.080 30 20 JKED C=C(C)COc1cc(/C=C(/Cl)c2nc(O)c3c(C)c(C(=O)OC)sc3n2)ccc1OC 747063326 HPFKZTXJZKEVAL-RIYZIHGNSA-N 460.939 5.192 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)cc1C 747600476 ATTMODCORVNNEL-FQEVSTJZSA-N 468.579 5.060 30 20 JKED C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 769674324 UAVVZYITYWNKBE-APFBBLRHSA-N 450.318 5.150 30 20 JKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)Nc5ccccc5SCC#N)(C4)C2)C3)cc1 792215367 NVNRBKNQJSMWAV-YVXWMLCYSA-N 490.625 5.331 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1 838551917 JVMFYTAZUFBJAH-HNNXBMFYSA-N 477.842 5.141 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 839443315 USGHWMHGJOQQGH-VWLOTQADSA-N 452.583 5.524 30 20 JKED CC(C)N1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 849506629 OGTFXPVGYHYGCF-DHIUTWEWSA-N 477.996 5.190 30 20 JKED O=C1CC[C@H](c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)CN1CC1CCC1 856536932 JHENAQBYJLKTPM-AWEZNQCLSA-N 479.396 5.532 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)Cc3ccco3)C2=O)c1 914690037 HPSVFYGGXDSVPO-NYHFZMIOSA-N 499.539 5.158 30 20 JKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)c12 914891037 VOEOJHOHJZFEIW-UHFFFAOYSA-N 450.542 5.211 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 915086140 HAFJGECMEBXFDM-XMMPIXPASA-N 456.523 5.161 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C)cc1 915102781 HHGNHPPFJHDHTF-ICSRJNTNSA-N 472.397 5.869 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102961 LWVOKGWXEMZSNO-SKPDUNDKSA-N 471.626 5.751 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916211891 GODCSNAJAQGKDS-QGZVFWFLSA-N 479.345 5.024 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O 916212822 ZIAXEUISMBVBJE-GOSISDBHSA-N 495.935 5.073 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cs1 916299603 QQXIBHRQHNCJIF-UHFFFAOYSA-N 497.955 5.820 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)cs1 916352642 SULDUOHSTGDSFG-CKFHNAJUSA-N 464.060 5.104 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916828036 LHIUCRXVBYKKBW-HSZRJFAPSA-N 458.539 5.026 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2cccc(Br)c2)o1 916909261 SRTNDOSZJYMKGF-NRFANRHFSA-N 495.373 5.707 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)O[C@@H](C)C2 916911275 WXBZXDGGITURNF-AMFQUVBBSA-N 482.536 5.562 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928817 UWQHRGYSLUJOOY-CQSZACIVSA-N 464.761 6.040 30 20 JKED CC[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1)n1nnc(-c2ccc(Cl)cc2)n1 916975318 XQLREOFKYFARDU-ICSRJNTNSA-N 462.966 5.253 30 20 JKED N#C[C@H](C(=O)c1ccc(CN2CCCCC2=O)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917043656 MOWUFNYVMPPQPO-QGZVFWFLSA-N 457.477 5.318 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccnc2)SC1=S 917644783 KWIVFHAWLBAKAN-SRZZPIQSSA-N 463.971 5.591 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)s3)C2=O)c1 917673957 KKRWYADHQDCGEF-JOCHJYFZSA-N 495.626 5.234 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccsc2)C1=O)Nc1ccccc1 917697391 ZYMSPXPDPQULAP-IBGZPJMESA-N 457.527 5.187 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CC(F)(F)F)C2=O)c1 917699749 CFCJOBHABOHFDY-NRFANRHFSA-N 485.531 5.979 30 20 JKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918546945 HBWPIDPAGKKODO-JMBSQFONSA-N 477.030 5.158 30 20 JKED C=CCN(C(=O)COC(=O)c1ccc(C)nc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919252857 HILBDMDDDHIHLR-UHFFFAOYSA-N 496.803 5.850 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)n2)cc1 920141532 JKZOQHUIFRYEQF-QFIPXVFZSA-N 490.544 5.088 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)(F)F)cc2)s1 920169010 CBKSTGFQMUXFCD-FZKQIMNGSA-N 497.564 5.317 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 920176009 OWXMMDDVQFNUBR-FQEVSTJZSA-N 473.520 5.317 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2cc(C)on2)C1=O 920353916 WNYOWRYURJUYID-QHCPKHFHSA-N 492.601 5.276 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1Cc1c(C)noc1C 920355339 KSABXZQBCOGENW-HSZRJFAPSA-N 492.601 5.023 30 20 JKED CCOc1cc(C=NN[C@H](C)c2ccccc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 920385811 HQRSUPBAENLANH-GOSISDBHSA-N 477.517 5.124 30 20 JKED COCc1nc(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)cs1 920843088 VDNCNWSTYLAJQS-IBGZPJMESA-N 468.560 5.124 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 920868656 LDLQPMLVDNKWGZ-HXOBKFHXSA-N 467.635 5.163 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)c(C)c2Cl)C1 1782889473 RJCKWFQSMBSOGF-IOZGHAEBSA-N 479.448 5.198 30 20 JKED CCOc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1785768597 JJFTZRPYJRYZAE-LJQANCHMSA-N 468.557 5.169 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)CCC3)cc2)C1 1785806749 DLVKERHMMKYZHB-UHFFFAOYSA-N 478.593 5.086 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4cnccc4C(F)(F)F)cc3)CCC2)C1 1786781587 ZFNUCKMLZRQMDL-UHFFFAOYSA-N 457.496 5.133 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)(C)C)oc3C)cc2)CCC1 1787390812 SSEWEIDWNRUYDN-UHFFFAOYSA-N 466.578 5.143 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc4ccccc4c3)CCC2)cc1 1787885743 JVIWJSMYSBFTDQ-UHFFFAOYSA-N 474.564 5.953 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)cc3)CCC2)c1 1787950179 RZFOFNNVGODBIU-MYKRZTLLSA-N 490.607 5.684 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)n[nH]2)cc1 1788685256 XIKVSXQSMVFTMP-UHFFFAOYSA-N 491.551 5.018 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3snnc3C3CC3)cc2)CCC1 1788842484 QLXINPPHOWHZIA-UHFFFAOYSA-N 480.710 5.214 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCC2)cc1 1789577110 WAWRXFOXDRHNCD-AMVVHIIESA-N 487.453 5.304 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cc6cc[nH]c6cc5F)cc4)CCC3)c2c1 1790071105 HJEOXGJNNZBZOX-UHFFFAOYSA-N 492.514 5.116 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(F)cc4)cc3)CCC2)c1 1791462898 ACPPGLGCNBKUID-UHFFFAOYSA-N 471.532 5.086 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5cn4)CCC3)cc2)cc1C#N 1792169134 VTHJQUXWHJABOX-UHFFFAOYSA-N 494.551 5.548 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccc(Br)cc3n1)C2 1792573563 KZLFFUPAKDUAGR-ACDBMABISA-N 484.438 5.242 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(C(F)(F)F)CC1)c1ccc(C(F)(F)F)c(F)c1 1793923839 CKRBBNOKKBORLC-JWEAOGIISA-N 494.451 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1798401488 JXJURXOEKQHBFZ-LSUHJGNXSA-N 497.680 5.768 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2occc2n1-c1ccccc1 1799109743 DVGCGGBYAYTFEJ-QQFNCUIESA-N 459.590 5.468 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1ccc(Br)cc1 1800027795 UYOSXCHGABZOMM-WKCHPHFGSA-N 491.470 5.239 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1 1802392513 MJIBGZXWRNNPLA-GGXMVOPNSA-N 488.676 5.588 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C)c4ccccc34)[C@H]2c2cccnc2)C1 1802417964 HDDUTYUMJAWISH-GIGWZHCTSA-N 467.613 5.148 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1803079887 QJGSTZKUFUKUAU-LITSAYRRSA-N 482.628 5.037 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1803085024 XGBIVGRDJVIILN-NLFFAJNJSA-N 477.008 5.304 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(F)CCCCC1(F)F)C2 1803849915 OWELDQVVDHQGGL-IGMJJTELSA-N 480.424 5.014 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1806205216 ZXECFPUAIHHUSA-IGKIAQTJSA-N 467.730 5.109 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1807972503 ZIXNCOGZQQTPQL-WOIUINJBSA-N 480.659 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@H]1c1cccnc1 1809499268 CTLLKUSNHRTJCT-BWLQLKEOSA-N 498.627 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)cccc3[nH]2)[C@@H]1c1cccnc1 1809805148 NPUSMDYJYMVQPZ-OFVILXPXSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1810493372 ZHZBWSTZXAGTOY-GBXCKJPGSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810499565 ZKNPEQXSLCPMDW-UKILVPOCSA-N 467.730 5.131 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)[C@H]2c2cccnc2)c1 1811936754 YKCMPOFQVGZZER-IBVKSMDESA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3[nH]c(C)cc3c2)[C@H]1c1cccnc1 1812274163 NHKBDZWSGCLVHF-WIOPSUGQSA-N 458.606 5.183 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302907 KLHHOAPDCCUZMW-DYRZZGSRSA-N 498.583 5.102 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1812590739 TVDLILQTSOQLAE-QOAWAWRESA-N 470.617 5.021 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1813963257 NWKMBPBAXKRYMS-WMZHIEFXSA-N 489.513 5.328 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1 1814377864 BWHQQKNEISAPIT-HHHXNRCGSA-N 491.595 5.302 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)[nH]n1 1814441670 DVOLZEVYUXVAPV-QFIPXVFZSA-N 474.609 5.202 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)[nH]n1 1814823662 BKHDUVJFTDJXOL-OAQYLSRUSA-N 474.964 5.042 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1 1815206048 WZDJANQDINOKKK-XMMPIXPASA-N 475.593 5.002 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815216822 NLEYKFORCGLWHJ-YADARESESA-N 474.561 5.099 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1 1815656342 QBNGDJXAQDIMRM-IBGZPJMESA-N 481.449 5.261 30 20 JKED CC(C)c1csc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)n1 1816063087 YXZFCDUMAOOEOL-FQEVSTJZSA-N 485.730 5.347 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)nc4ccccc34)n[nH]2)c1 1818605133 QPMMUUURXCFIJV-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1 1818919918 OELGKGXJFNJOPV-OAQYLSRUSA-N 497.437 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1c[nH]c3ccc(OC)cc13)CC2 1819603560 WHHYTAFTPIWERN-ZSGQJBBISA-N 490.629 5.027 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434867 LHGORECPOGMWHC-OAQYLSRUSA-N 457.534 5.058 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)[nH]n2)cc1 1820549878 UOSUNELKSCXOCA-SPHCQZIESA-N 459.594 5.194 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821202013 MNGHEAVIKVQSGQ-YJBOKZPZSA-N 473.401 5.116 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4nc(C)sc34)[nH]n2)c1 1821325309 UTKFTQFAMNSXBT-JOCHJYFZSA-N 484.585 5.128 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821694233 PJHRBEAKXALWTL-IBGZPJMESA-N 455.628 5.098 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](c3ccccc3)N(C)Cc3ccccc3)n[nH]2)C1 1821755544 CYEKUXITVQHHAD-XCZPVHLTSA-N 497.643 5.241 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1821924667 GLZZSFQMUWZULK-YVEFUNNKSA-N 453.345 5.374 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)[nH]n1)C(F)(F)F 1821993137 PLPMNLDZJRMXFB-NCUBBLFSSA-N 464.513 5.135 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1)C(F)(F)F 1821993406 XYNCQLMEMBEWCY-GOSISDBHSA-N 497.477 5.575 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1822580010 POAVEVAGELVIHU-QHCPKHFHSA-N 473.552 5.110 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)[nH]n2)c1 1823210787 IMAVWKHVIVHOFW-JCMRRDKTSA-N 485.563 5.285 30 20 JKED Cc1cccc(C)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823217734 WZAKZVJHQVCYMC-XXBNENTESA-N 455.562 5.273 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCCC2)[nH]n1 1823419626 BOFJHIIYVOGRSR-OAQYLSRUSA-N 497.437 5.090 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccccc3F)CC2)n[nH]1 1823446788 AQJGHSRODYWUDA-PGRDOPGGSA-N 450.558 5.041 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)cc1 1823682073 QNSNNBDDBXUMFM-QHCPKHFHSA-N 484.065 5.068 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1823702165 WIGUQLRDZKLORL-JYFHCDHNSA-N 494.079 5.827 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c1 1828134652 VGHFUEAVOOTWMR-NTKDMRAZSA-N 486.641 5.470 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828515154 TUQWUXMXDGBTST-RUZDIDTESA-N 451.586 5.309 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828550049 KLMAAQSJGCCUMS-FQEVSTJZSA-N 463.628 5.382 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1828824698 OMFUWNGHTOZPMG-RBBKRZOGSA-N 489.056 5.359 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 1828826538 GVYPOAQKFWGHPW-HKUYNNGSSA-N 469.573 5.164 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1828831578 VZMCEZKKDMZLTE-RPWUZVMVSA-N 466.622 5.003 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COCc2ccccc2)CC1)c1ccccc1 1829032432 JUNHKKNVQMDTNM-URLMMPGGSA-N 486.656 5.020 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1829565059 ZFCMFBTWVLKQDX-HHHXNRCGSA-N 482.628 5.267 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1 1829750448 YHIXLDYBMIVHJX-KMRXNPHXSA-N 495.627 5.251 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829904041 HQMJJBRRSRBTHX-RUZDIDTESA-N 478.658 5.631 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)[nH]c2c(Cl)cccc12 1829952531 PSBYSORGFKQMOR-XMMPIXPASA-N 489.019 5.549 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1829954999 BIGBUFAJCQXNJJ-DEOSSOPVSA-N 474.992 5.240 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 1830014745 DNTCHFKMXUYNJA-HHHXNRCGSA-N 451.570 5.259 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830441257 QNIMQRPFDXTQOB-DFBJGRDBSA-N 456.602 5.060 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)CC1 1830753888 GGJNRFKTLDGUOT-AREMUKBSSA-N 463.666 5.104 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060775 TTYWYFZHVQILSY-OCJNCGMCSA-N 497.595 5.531 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1831852070 NPHUQIDNHPFNKO-XMMPIXPASA-N 492.582 5.445 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cccc(Br)c3n2)CC1 1831852183 UUAZMGCWHCIVLY-HSZRJFAPSA-N 496.449 5.034 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)n1 1832092580 LTTNAZRUPBGKOU-LYZGTLIUSA-N 486.660 5.192 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1832827329 ZOISHTAHYGDKHE-HSZRJFAPSA-N 457.574 5.075 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1836696638 MUYWJJALTHKYRI-FTJBHMTQSA-N 485.068 5.211 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC34CN(C(=O)/C=C/C(=O)c3cccs3)C4)ccc21 1844742678 LDRQFBKBLQZKKP-OUKQBFOZSA-N 497.620 5.132 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1 1846270884 PAOUWOJBLODHCK-QFIPXVFZSA-N 489.701 5.046 30 20 JKED C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2)C(=O)Nc1ccccc1C#N 10301397 HFLGSRIDQNQGQX-CQGUWYRNSA-N 477.520 5.760 30 20 JKED C=CCn1c(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)nnc1-c1ccccc1 10613335 URSPGWSZMHXRED-UHFFFAOYSA-N 454.404 5.004 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(N(C)C)cc2)c(C)s1 10761921 FKRLHFAZSOIOEA-UHFFFAOYSA-O 463.023 5.562 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 11247508 MTARYHRLORNQMX-UHFFFAOYSA-O 459.541 5.894 30 20 JKED C=CCNC(=O)[C@@H](C)Sc1nnc(-c2cc(Cl)ccc2OC)n1-c1ccc(OC)c(Cl)c1 16821304 HSFZWHZOTOAXKR-CYBMUJFWSA-N 493.416 5.041 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(C4CC4)n3C3CC3)c2C#N)C1 17280346 NBSOFWFBQQBMHM-OAHLLOKOSA-N 469.680 5.695 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1c[nH]c2ccccc12 22117273 SOJBRJZBAGOPNG-DWXRJYCRSA-N 472.618 5.259 30 20 JKED C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 22283415 DVYYSXWMOSTSHF-AWEZNQCLSA-N 467.620 5.584 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(OC)cc2)cc1 22731110 QNJLELSRCMSINB-UHFFFAOYSA-O 460.406 5.903 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 23604704 PFHLWKIAVXKCML-UHFFFAOYSA-O 461.438 6.229 30 20 JKED CCCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(Cl)cc1 26007364 UFABGZSOLDQRBT-LJQANCHMSA-N 494.045 6.101 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1/C(O)=N/c1nc(-c2ccccc2Br)n[nH]1 28903130 FRROPZPWQRXRNQ-UHFFFAOYSA-N 474.771 5.956 30 20 JKED Cc1nc(Cc2ccccc2)sc1/C(O)=N/c1nnc(SCc2ccc(Cl)cc2)s1 33149688 KZXFIENDBXYKPM-UHFFFAOYSA-N 473.048 6.476 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccccc1F 39188234 YGWVEJJNGMAYRK-UHFFFAOYSA-N 455.584 5.087 30 20 JKED COc1ccc2c(c1)c(CC(=O)NC1(C#N)CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1 115380072 GNEJAVFSBBALCN-UHFFFAOYSA-N 463.965 5.185 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccc(Cl)cc1 249681016 BCCCWQAGAQTTSG-UHFFFAOYSA-N 472.039 5.551 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2(C#N)CCCCC2)c(Cl)cc1Cl 302928449 DDTPISZSEYHVMI-UHFFFAOYSA-N 480.417 5.165 30 20 JKED Cc1ccc(NC(=O)COc2ccc(CCNC(=O)c3ccccc3-c3ccccc3C#N)cc2)cc1 302954086 FINBOGWTODDBCZ-UHFFFAOYSA-N 489.575 5.524 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCCN(c4ccccc4C#N)CC3)o2)cc1 478975224 GUXQVXMSYISTEE-UHFFFAOYSA-N 462.553 5.541 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1coc(-c2ccc(F)c(F)c2)n1 483179589 OLXFVVMAPLFNRU-UHFFFAOYSA-N 463.469 5.013 30 20 JKED C=CCN(C(=O)CSc1ccc(C(F)(F)F)cn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483206951 IUXUBELCPULLLT-UHFFFAOYSA-N 480.493 5.443 30 20 JKED C=CCN(C(=O)COc1ccc(Oc2ccccn2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 491144577 ZPJXQAYWKLDSPK-UHFFFAOYSA-N 488.525 5.504 30 20 JKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)CC1 491569980 NMEHQAHHVUYEQG-BWKNWUBXSA-N 465.041 5.971 30 20 JKED O=C(CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 498662883 MWBGKIFOMFXWHM-UHFFFAOYSA-N 493.347 5.297 30 20 JKED O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 499295030 NDZVICXEQKELID-UHFFFAOYSA-N 491.348 5.186 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 499630747 JRDFZTZXYJKONP-UHFFFAOYSA-N 460.584 5.585 30 20 JKED CSc1ccc(NC(=O)Cn2cc(NC(=O)c3ccccc3-c3ccccc3C#N)cn2)cc1 501091998 JGEZRJGFUMTSGT-UHFFFAOYSA-N 467.554 5.035 30 20 JKED C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 502555059 XGDZDNWQMJDHJO-GOSISDBHSA-N 451.567 5.527 30 20 JKED N#CCCn1cc(C(=O)NCc2ccc(Oc3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 504959448 LQLHWDCCBVDREO-UHFFFAOYSA-N 467.485 5.094 30 20 JKED C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)c1ccc(C#N)cc1 505310503 KOBGVCNRSBHXQM-AWEZNQCLSA-N 470.426 5.851 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(NC(=O)NC2CC2)cc1 506008443 OORIYFDRBMNGEC-IBGZPJMESA-N 483.572 5.498 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1Cl 506434676 XCKQWODABYCCTC-UKILVPOCSA-N 487.987 5.142 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 509001596 RNAGFRKIEVMZOF-UHFFFAOYSA-N 475.608 5.794 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1Cl 510023492 LJESBPJPDGCEFR-HSZRJFAPSA-N 484.943 6.162 30 20 JKED N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510057276 RLPCJRNJSBLPSV-NRFANRHFSA-N 473.939 5.360 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccc(-c2ccccc2F)s1)C(C)C 510300656 VILDITJUQADGHM-UHFFFAOYSA-N 475.593 5.455 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3[nH]c4ccccc4c3Br)s2)cc1 511195808 BJWWTBNIUMIQEL-UHFFFAOYSA-N 470.377 5.198 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3ccccc3Cl)s2)cc1 511548498 VSGBMDOHBQTBGM-SFHVURJKSA-N 455.996 5.724 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc(O)c2c3c(sc2n1)CCCC3 513655881 VSUDVZLXOKBTRY-CYBMUJFWSA-N 450.907 5.074 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 513936830 YYSCWLJGJYFWFV-UHFFFAOYSA-N 493.542 6.576 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)n(-c2ccc(F)cc2)c1C 514889678 XWMCECAYMIVPKI-INIZCTEOSA-N 489.576 5.565 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(O[C@H](C)c4ccccc4)nc3)n2)cc1 516714112 QCLXWTHFYCWTOS-VGOFRKELSA-N 455.539 5.844 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cccc(F)c2)cc1Cl 517296226 GNMUNRQAQBKPJK-VWNXMTODSA-N 461.924 5.437 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 517461597 YFPWINPYFCAUGC-MRXNPFEDSA-N 459.409 5.388 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 517527953 NIZWGQYVLHNZBI-AVRWGWEMSA-N 469.566 5.671 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)n1 517926262 QUXRFLCHKZYVEW-GOSISDBHSA-N 473.558 5.111 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 519095889 FWTPMUFQEHEFLD-NRFANRHFSA-N 467.569 5.713 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 519097675 JKJHMNABCQLDBV-UHFFFAOYSA-N 494.588 5.192 30 20 JKED CC[C@@H]1c2ccsc2CCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519441591 OIOJETYHRRPKBZ-MRXNPFEDSA-N 467.538 5.247 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 522326614 PRGUDNNRZCINCN-UHFFFAOYSA-N 492.545 5.352 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)c3occc3COc3cccc(C#N)c3)ccn2)cc1 523273549 PGGHHESGFACHNT-UHFFFAOYSA-N 469.497 5.246 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 588348937 IMCOAUIYTRGIRT-SFHVURJKSA-N 479.920 5.840 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3c(s2)C(=O)CCC3)nnc1-c1ccc(Cl)cc1Cl 589914522 ZNJLIKOMTMVTTB-UHFFFAOYSA-N 494.429 5.144 30 20 JKED C=CCN(C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 596276856 GWZPUSJILFLLAS-PMACEKPBSA-N 490.608 5.012 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603626411 OGTHMVDEMAWRGB-UHFFFAOYSA-N 484.537 5.107 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 603733851 LMRBSUAWRRDLLR-UHFFFAOYSA-N 487.434 5.229 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2)cc1 603756336 OKJDNUQUFIDBBU-UHFFFAOYSA-N 483.549 5.280 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)cn2)cc1 603828967 HKCQCJJMAXQRAN-UHFFFAOYSA-N 450.445 5.099 30 20 JKED Cc1cc(=O)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)nn1-c1ccccc1C(F)(F)F 603968454 UKCARIYOAZJHLK-UHFFFAOYSA-N 480.471 5.412 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 608844951 BIFIJPJYYAJMPW-JOCHJYFZSA-N 496.489 5.525 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 608920287 HSXTVJLNRAHEDY-UHFFFAOYSA-N 463.585 5.592 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 609079304 VHPFRBUYVAGKJC-SANMLTNESA-N 455.558 5.659 30 20 JKED Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609080089 SQLGUOPDBQEZPS-UHFFFAOYSA-N 492.963 5.118 30 20 JKED CN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609086562 KCLXQRFKVSCDRI-UHFFFAOYSA-N 468.340 5.041 30 20 JKED CCOC(=O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1Cl 609165893 ACTHXBBOXPAENT-UHFFFAOYSA-N 450.947 5.933 30 20 JKED CC(C)CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2ccccc2c1=O 609369960 URGLLONBLOVXJH-SFHVURJKSA-N 480.659 5.425 30 20 JKED COc1ccc(F)cc1CC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517187 CGRTWEBAMOKXHQ-GOSISDBHSA-N 465.365 5.015 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)cc2Cl)o1 622969015 AVSZLPBUQCKCNT-CYBMUJFWSA-N 484.430 5.712 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2c(F)cccc2Cl)cn1 726109814 DFANMRDLLRWJSF-OAQYLSRUSA-N 499.999 5.164 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 726392444 GVYWJAYMJVZPQM-AUUYWEPGSA-N 497.514 5.230 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2)cc1Cl 726409928 XFAXHGXLMPGOPL-JOCHJYFZSA-N 492.963 5.511 30 20 JKED CCOc1c(Br)cc(Br)cc1/C=C\C(=O)c1ccc(OC)c(NC(C)=O)c1 726428464 MKUWYKGGTGXDAK-ALCCZGGFSA-N 497.183 5.473 30 20 JKED CCOCCCn1c(NN=C(C)c2sc(-c3ccc(C)cc3)nc2C)nc2ccccc2c1=O 727648869 ULMQXYCUQIJZTM-UHFFFAOYSA-N 475.618 5.400 30 20 JKED C[C@H](OC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 727887806 UZPACLJBFBECRP-DBTPVHCXSA-N 450.560 5.013 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1 728111007 YPURUCVLFDRCCL-UHFFFAOYSA-N 478.810 5.198 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1 728248749 YELKZDKXGKTIAM-UHFFFAOYSA-N 451.551 5.153 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCc3nc(O)c4ccc(C(F)(F)F)cc4n3)c2)cc1 728669424 PWPSGERCNIKBCN-UHFFFAOYSA-N 465.387 5.375 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CCCCC#N)c1cccs1 728777153 DRLIKHAKWFDCEQ-CWHVSTADSA-N 490.654 5.985 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 728780420 SSSLFILOWGLYAO-DEOSSOPVSA-N 470.598 5.172 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CC)c2nc(C)cs2)c1 729449105 KSGYLRJYJWOFCU-OAQYLSRUSA-N 490.050 5.367 30 20 JKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)ccc21 729575317 IGHXOTHLWYFSKB-UHFFFAOYSA-N 476.577 5.321 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ncccc3C)C2=O)c1 729633332 CWXPNRMCOTYDJV-HSZRJFAPSA-N 493.032 5.821 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)cc1C 730441159 ANXYBMMFHIYHGJ-QHCPKHFHSA-N 494.592 5.250 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)cc1 730444312 LZWCWLQSIIRXTO-QHCPKHFHSA-N 476.602 5.057 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccccn2)c1 730527512 GBSPNOCDHPNXDM-DEOSSOPVSA-N 486.597 5.007 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1)c1nc2ccccc2s1 730684988 DXSZBDWUKAAXCO-AOMKIAJQSA-N 481.346 6.194 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cocn1 730710810 SHIDYTDDKVXZJF-IBGZPJMESA-N 468.966 5.105 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1 730712301 FMXSQPZOEVGUAV-XMMPIXPASA-N 484.581 5.605 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H](O)c3cccc(C(F)(F)F)c3)c2)cc1 730897416 JFPCPQXYLVDXOX-HSZRJFAPSA-N 469.463 5.206 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CCOCC2CC2)C1=O)Nc1ccccc1 730942134 FZZMNSGSEOIOEZ-FQEVSTJZSA-N 491.535 5.092 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 730943604 HDQVDNHALDCQHZ-KKSFZXQISA-N 464.978 5.457 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730943991 PMBVZXVFXROAAC-CYFREDJKSA-N 490.604 5.867 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731066469 NZEZUBONJPZBKN-AWEZNQCLSA-N 473.620 5.088 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(-n2cccc2)sc2c1CCSC2 731067840 JTJOLRVNCHACAV-INIZCTEOSA-N 497.667 5.375 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 731288779 WEOCTWUAGJXUAU-APWZRJJASA-N 484.408 5.846 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(Cc2sccc2C)C1=O 743523808 DLBLKHLKZNFVNE-NRFANRHFSA-N 497.617 5.673 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)c1 743525008 OHIKQHPJOZPNET-HSZRJFAPSA-N 491.592 5.010 30 20 JKED COc1ccc(-n2c(-c3ccccc3OC)nn(CN(Cc3ccc(C#N)cc3)C(C)C)c2=S)cc1 746033630 RPQACZGANMMNKL-UHFFFAOYSA-N 499.640 5.827 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 746663087 AOMPXLPXOCRQFN-ADKFBQBXSA-N 496.658 5.356 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(CCOC(C)(C)C)C1=O 746695861 IVEQYCJFBADOAN-QFIPXVFZSA-N 483.634 5.087 30 20 JKED Cc1ccc(-n2c(Cc3cccc4ccccc34)nn(CN3CCC(C#N)CC3)c2=S)c(C)c1 747079083 UNTHCZVJBSXQNI-UHFFFAOYSA-N 467.642 5.957 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1)c1ccccc1 749190598 KQEGKJHUVZFHEC-VSGBNLITSA-N 480.612 5.648 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc4ccc(OCc5ccccc5)cc4[nH]3)CC2)c1 749230193 WWBHWAOQNQMMRC-UHFFFAOYSA-N 478.552 5.109 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)c1 750766827 XHLTZWOARLTIHA-XMMPIXPASA-N 477.358 5.113 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc(Br)c1OC(F)F 750901278 DFHDWLVXSPBORT-YHYXMXQVSA-N 480.305 5.472 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2F)C1=O)Nc1ccccc1F 837300577 IANPXYJPPAFZPF-OAQYLSRUSA-N 469.488 5.264 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccccn2)c1 837393204 KKTPONORMNQVQG-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCN(C3CC3)CC2)cc1 837917614 UZEVTBSFFKDVOL-VWLOTQADSA-N 490.673 5.145 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 838094082 LWCNLSXABZBFNB-SBUREZEXSA-N 492.576 5.341 30 20 JKED CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(c3nc(-c4ccsc4C(F)(F)F)no3)C2)C1 904917262 HILZIJXLZHXNAJ-WZEQGRABSA-N 454.474 5.071 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1Cl 914551449 DNOWEPBDJRBNSW-JTSKRJEESA-N 479.005 5.134 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CCc2ccc(-c3csc(C)n3)cc2)C1=O 914551993 QWLGMSCMKRHGQY-OAQYLSRUSA-N 499.061 5.082 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914694192 DQYHOVLCYKTLAR-IIBYNOLFSA-N 467.591 5.479 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cccc(F)c2)cc1 914773068 WTXCFRKTMLUTPP-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC2CCC2)c1 915111106 IYFLKHIXTRYLGX-JOCHJYFZSA-N 499.036 5.367 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c1=S 915828390 UYLZXYFGNAYYFO-AREMUKBSSA-N 499.640 5.284 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(OC)c1 916204703 AAIUFHAIUQOWJI-KRWDZBQOSA-N 466.390 5.372 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(CCc2ccccn2)C1=O)Nc1ccccc1F 916210255 YTXVLGMWSNXLTH-OAQYLSRUSA-N 482.968 5.077 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccccn3)C2=O)cc1 916217077 DQOZWADWPXDUOK-QHCPKHFHSA-N 486.597 5.062 30 20 JKED CC(=NNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(O)c(CN2CCOCC2)c1 916311609 FJBOMCIDXYIQCS-UHFFFAOYSA-N 473.602 5.041 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1OC 916593342 FWCDCXDVKKMKGI-UHFFFAOYSA-N 455.543 5.282 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccc(SC(F)F)cc1 916887391 NUAGWDCRSIFCJF-INIZCTEOSA-N 477.439 5.215 30 20 JKED N#C[C@@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc(-c2ccccc2)cs1 917026652 KVXHIOGJPVOILA-IBGZPJMESA-N 465.987 5.918 30 20 JKED CCCN1C/C(=C/c2cnc(-c3ccccc3)nc2)C(=O)/C(=C/c2cnc(-c3ccccc3)nc2)C1 917143901 WUIFWUJPIXIKCB-ASYRIYPMSA-N 473.580 5.362 30 20 JKED CCOC(=O)Cc1ccc(C(=O)/C=C\c2cc(Br)c(OC(F)F)c(OC)c2)cc1 917145717 PZKWLZBEFCXTKR-TWGQIWQCSA-N 469.278 5.061 30 20 JKED O=C(c1cccc(N=Cc2cc(Br)cc(Br)c2O)c1)N1CCCCC1 917559396 MOHBCBULSCXYFE-UHFFFAOYSA-N 466.173 5.294 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2cccc(OCc3ccccc3)c2)cs1 917560221 JLPDWUQIGLPELU-QINSGFPZSA-N 472.541 6.442 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(C)n2)c1 917688704 FNTUQDKRDYUHHO-DEOSSOPVSA-N 488.613 5.122 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 918298830 DRKGHHKLXSXQEZ-FYYLOGMGSA-N 480.593 5.296 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCc3ccccn3)C2=O)c1 920172900 MRQHIVNHQFHBNG-SANMLTNESA-N 498.652 5.390 30 20 JKED N#C[C@H](C(=O)CSc1nncn1-c1cccc(Cl)c1)c1nc(-c2c(F)cccc2F)cs1 920804054 JOFZPNVBNVWODZ-CQSZACIVSA-N 487.944 5.291 30 20 JKED C=CCN(C(=O)COC(=O)c1cnc(CC)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 920901149 ZFDYBQIWWMKRKT-UHFFFAOYSA-N 482.414 5.512 30 20 JKED CSc1nc(O)c(C(=O)Nc2nc(Cc3ccccc3)c(-c3ccccc3)s2)cc1C#N 1516532408 DMWPTMLVAUJYIM-UHFFFAOYSA-N 458.568 5.347 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C2)C1 1785231710 DZLCBZVGUPWHRG-JOCHJYFZSA-N 473.828 5.083 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCC2)cc1 1786104319 MFOGZAKAZJALTD-BKFWDETESA-N 493.648 5.002 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)CCC1 1786289159 GXXMRFPBEVMWJB-RTBURBONSA-N 453.608 5.102 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)on3)CCC2)cc1 1786546103 FCGJFRLFKVBONM-HXUWFJFHSA-N 496.608 5.015 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC(F)(F)C4)CCC3)cc2)c(O)n1 1787172698 UFQXYNFNPYMTIT-KRWDZBQOSA-N 469.532 5.089 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4cc(Br)ccc4c3)CCC2)cc1 1787647472 KBNUNENDIDBHCW-UHFFFAOYSA-N 462.347 5.264 30 20 JKED Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)c2[nH]1 1789019811 ZVPCLHNKMZHFRW-UHFFFAOYSA-N 466.516 5.549 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4sccc4Cl)cc3)CCC2)c(C#N)c1 1789903134 LCIFIMRSNGHPBE-UHFFFAOYSA-N 479.989 5.272 30 20 JKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1790342268 HRIKVUNYOPUJOF-UHFFFAOYSA-N 453.542 5.213 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)CCC2)cc1 1790563183 AZLJHHUNMRTHCW-RORWEDLISA-N 487.522 5.654 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3C(F)(F)F)CCC2)cc1 1790564744 NFVSYNQZOUJBQQ-KRWDZBQOSA-N 475.511 5.183 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)ON=C(C)C)cc3)CCC2)cc1OCC1CC1 1790567217 JFARZDPCKLFKRD-LJQANCHMSA-N 493.604 5.033 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cccc6cccnc56)CCC4)cc3)c2c1 1790835238 ZJQARWBDOKNOLK-UHFFFAOYSA-N 486.535 5.044 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(OC)c3)CCC2)cc1)C(F)(F)F 1791304942 VWPUYHTUOPKWBC-UHFFFAOYSA-N 497.311 5.324 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)CCC2)cc1 1791588398 LKDLYQWPHNVJPP-UHFFFAOYSA-N 462.553 5.621 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc4c[nH]nc4c3)CCC2)cc1)c1ccc(O)cc1 1791646378 RTXADLDCZGSPHH-OAQYLSRUSA-N 492.579 5.213 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)F)no3)CCC2)cc1)c1ccc(O)cc1 1791646460 RQIDBZFZLWWZJN-GOSISDBHSA-N 493.510 5.263 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Br)cc4)CCC3)cc2)CCC1 1791663232 OHXNXVBQYZPTGY-UHFFFAOYSA-N 480.406 5.309 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)cc2)CCC1 1792373778 YWGYMMDDQAQZKR-GMAHTHKFSA-N 499.627 5.236 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)cc2)CCC1 1792390902 APDSJIRAGHLDPH-ZTCOLXNVSA-N 495.664 5.534 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1803565840 OSIOFHBRBJBQHA-YTMVLYRLSA-N 483.612 5.051 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)C1 1804866894 SWYOWMHXGQDVTF-UHFFFAOYSA-N 459.634 5.586 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(F)F)cc3F)CC2)C1 1805456413 VBIGRUXFWPURAO-UHFFFAOYSA-N 464.528 5.040 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1806086859 JRNCYAPEXNPHNE-LGVFNWMJSA-N 474.630 5.088 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@H]1c1cccnc1 1807483971 YQTCMFXTWTZGRC-MAFNXUKGSA-N 485.628 5.310 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1808888706 HXOMFQYUUFKBLP-DHMKIYBQSA-N 493.673 5.195 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(s2)CCCC3)[C@H]1c1cccnc1 1809769579 PURQFVXRNYMRIP-WIOPSUGQSA-N 463.647 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1810174193 MEGXXUMBCIGDHM-YCRNBWNJSA-N 472.416 5.476 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1810181983 NITDTWHCDHSPED-ROKPMTFOSA-N 486.443 5.785 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811251552 LUUJNHNYXTZUAB-TWRBBEJXSA-N 477.608 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1812071483 DFQIIMCUMGVGBZ-NVQXNPDNSA-N 489.019 5.371 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1812697251 PEKPFTUCLVJRTI-NSXLHWASSA-N 467.013 5.143 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@H]1c1cccnc1 1812954423 HMLCJUGTGNTMSF-JBGVHOKCSA-N 485.550 5.211 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1813048734 RXVHRXWKMSGLLC-JPYJTQIMSA-N 466.006 5.073 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1813227010 OBNSPMZQWFXMSB-CUNXSJBXSA-N 489.019 5.105 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(OC)c2Cl)n[nH]1 1814611789 VUQILWHBVWFAIJ-LPHOPBHVSA-N 487.000 5.155 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)nn2-c2ccccc2)n[nH]1 1818141160 WVOOLLBQVGSMPA-JOCHJYFZSA-N 474.609 5.202 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncccc2-c2ccccc2)n[nH]1 1818310498 PPUCHIVDSPIFMY-URXFXBBRSA-N 469.589 5.546 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(C)(C)C)s3)n[nH]2)c1 1818343050 HGXPSHHZRWOZPM-FQEVSTJZSA-N 491.617 5.269 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccccc4o3)n[nH]2)c1 1818633133 UZSBCKCWASZBSD-VGOFRKELSA-N 467.529 5.403 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)nc2ccccc12 1818655486 ZHHPGFUUHQPETJ-LEQVUBRHSA-N 499.596 5.073 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCOc2ccccc2)[nH]n1)c1ccccc1 1819518448 QFDVHNLJQPPELD-RSXGOPAZSA-N 484.600 5.068 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)[nH]n2)c1 1820485934 MJNISELNUWESHN-QHCPKHFHSA-N 484.947 5.103 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)ON=C(C)C)n[nH]2)c1 1820972386 MWEAOQOTFOUAFS-YKSBVNFPSA-N 481.641 5.178 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126364 QBRQSRQQQRRIAB-IBGZPJMESA-N 498.933 5.371 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(C)noc3-c3ccccc3)[nH]n2)c1 1821323862 DBLSKVRVTYRDDJ-HSZRJFAPSA-N 494.555 5.173 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)c1 1822023110 YQPKTMPHDQFQKX-STDWZSPESA-N 459.594 5.169 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)COc3cccc(Cl)c3)[nH]n2)c1 1823212116 QROCUDDYDSRVMD-UZUQRXQVSA-N 491.979 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)[nH]n2)c1 1823212740 YXGHKRJRVGLBIM-RDTXWAMCSA-N 467.982 5.371 30 20 JKED COc1cccc(/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216839 OTONSFVCZRRQPQ-WULXXNAGSA-N 483.572 5.065 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)[nH]n2)cc1C#N 1823291264 NNQSXXILJMYEAV-SFHVURJKSA-N 498.008 5.403 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1823811551 JYSOLUALHJYWHN-AOYPEHQESA-N 490.047 5.104 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1 1824054255 KLZQXLDCCDRITK-HHHXNRCGSA-N 489.685 5.075 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1824960891 ZRBYIVGGOQPIRH-JOCHJYFZSA-N 495.516 5.564 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)c2c1 1825096115 WFXBLFMIKWYAHN-LJAQVGFWSA-N 496.655 5.143 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827362989 PYZCJEPOXNUOLC-IBVKSMDESA-N 487.669 5.453 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1828344311 OMBAWULIZVURHG-WXVAWEFUSA-N 489.685 5.648 30 20 JKED COc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1828903422 AOCMGBPKSHVUOB-HHHXNRCGSA-N 496.768 5.299 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828908201 NOWBWTLOVJWJOO-UPVQGACJSA-N 499.797 5.233 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)cc1 1829455141 IBRMIPRXPJYYMS-QFIPXVFZSA-N 485.415 5.002 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)c(Cl)c1 1829864051 RSNFJDJPQPICSM-FQEVSTJZSA-N 460.361 5.005 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1829954809 OHWSCEBRSKPWPX-HXUWFJFHSA-N 463.628 5.382 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1829956787 RGYHJAWFUHRBJZ-XMMPIXPASA-N 474.992 5.240 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1830415444 WZVFTEVNFUHFOP-SWAXBTAQSA-N 471.667 5.021 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1830420540 CTYJSTLUBJVMJM-AJTFRIOCSA-N 475.633 5.388 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830482104 XIACAFRNWXTQGM-RUZDIDTESA-N 481.999 5.217 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1 1830628684 VFTIRXCTMFTONH-RUZDIDTESA-N 481.999 5.021 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)cc2s1 1830890076 MZQYGDKVKIAYKI-XMMPIXPASA-N 474.630 5.151 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1830994598 FANVDONUYBZRLM-RUZDIDTESA-N 489.019 5.434 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832031059 FAZXIZZTMHECDA-QFIPXVFZSA-N 466.519 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1832630159 GKZALHUPDLIDJO-IDISGSTGSA-N 499.655 5.574 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(C)ccc3C)CC2)CC1)c1ccccc1 1838418390 XVRHGXQSRVLLKN-MUUNZHRXSA-N 486.656 5.113 30 20 JKED CC(C)[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)cc2Cl)C1)c1ccc(Cl)cc1 1845488856 JAODEAZEAIGNOK-JOCHJYFZSA-N 470.400 5.122 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)C1 1845547066 DGBMRODZZGIMJG-UHFFFAOYSA-N 466.544 5.217 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 9823598 IYIJSORNBPWUCV-QHCPKHFHSA-N 488.444 5.447 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccc(F)cc1 10498678 SACSTWHHHLYXNE-QFIPXVFZSA-N 464.591 5.330 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(Cl)c(Cl)c1 11158590 VZOREHPWKLJVBC-UHFFFAOYSA-O 464.825 6.548 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 11196844 RVHWPEOETXSDRZ-MWTRTKDXSA-N 453.999 5.123 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 14069612 IDUDVAJDTQQAOA-UHFFFAOYSA-N 452.889 5.534 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1ccc(Cl)cc1Cl 15075691 ZVYUDMPQIKDVPY-UHFFFAOYSA-N 479.389 5.186 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cccc(Br)c2)c1 15247688 MFMIZKWICQMNGT-UHFFFAOYSA-O 495.249 6.403 30 20 JKED N#Cc1cccc(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)c1 15738848 WHJTYACFSQASAT-UHFFFAOYSA-N 460.609 6.080 30 20 JKED COc1cc(OC)cc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 17046056 MWHKAMCLXHRUBQ-ZDUSSCGKSA-N 484.603 5.075 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)nnc1-c1ccoc1C 21171470 WSPQLABQAYKHTR-JOCHJYFZSA-N 487.585 5.404 30 20 JKED Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1C 21881309 YBXLTBRHQOQMEF-LJQANCHMSA-N 487.581 5.090 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 32503709 FGHVAZUGDBELKJ-UHFFFAOYSA-N 464.971 5.170 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1 36768264 VSXHGFBIEQBAQF-UHFFFAOYSA-N 472.969 5.133 30 20 JKED C=C(C)CN(CC)C(=O)c1cc(Br)c(C(=O)N(CC)CC(=C)C)cc1Br 71832064 RAZSFFVHMYKORB-UHFFFAOYSA-N 486.248 5.288 30 20 JKED CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 110310393 CZRPNPIFEJLMKW-WUXMJOGZSA-N 472.906 5.308 30 20 JKED CN1CCC2(CC1)C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1O2 216322620 NGFZIIPKZAQYQH-RUZDIDTESA-N 483.637 5.569 30 20 JKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)n2)n1 302937488 JZRKIUFOQHHTLF-UHFFFAOYSA-N 457.921 5.241 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 302950525 MLVOQVXYYHDGNM-RUZDIDTESA-N 459.977 5.512 30 20 JKED Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)oc2ccccc12 481168049 UGPVWBLZBYJFCQ-KRWDZBQOSA-N 471.488 5.147 30 20 JKED CCOc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OC(F)F 481619256 CHVXUCSQQMBCLZ-UHFFFAOYSA-N 485.462 5.598 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(Cl)cc1 481626620 OBLWJHOLCBYQCK-DEOSSOPVSA-N 489.938 5.574 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 482835644 BZAFJESUGVKPSZ-UHFFFAOYSA-N 456.546 5.569 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)o2)cc1 483618850 RVTBEWNNAKURRJ-UHFFFAOYSA-N 490.563 5.680 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)N4CCCCCC4)cc3)c2)cc1 486018027 QNKZHKZEYNINGK-UHFFFAOYSA-N 454.530 6.011 30 20 JKED C=CCN(C(=O)c1cc2cccc(C)c2o1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 488869364 VHYOAWYLOAZRPR-UHFFFAOYSA-N 452.557 5.101 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 489223737 GOPIXFZDZREFNT-DEOSSOPVSA-N 483.385 5.154 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1C#N 490827863 OWZFBPYVGMYDOA-UHFFFAOYSA-N 469.010 5.521 30 20 JKED COc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1OCC(F)(F)F 497402058 RWNOQXIUDUDIOZ-UHFFFAOYSA-N 477.336 5.232 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 500329616 NEKSGPXOZOFSAG-UHFFFAOYSA-N 468.420 5.672 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1Cl 501065671 GTAMVZHWCFMVGJ-UHFFFAOYSA-N 469.737 5.211 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc1Cl 502978886 CBDQMKRPZDKKKZ-AOYPEHQESA-N 474.992 5.190 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 505617149 CZECGQGZDLTDCW-UHFFFAOYSA-N 472.501 5.122 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C(F)F)c2)nnc1-c1ccc(Cl)cc1Cl 507098615 XJECHENWYHBPEZ-UHFFFAOYSA-N 469.344 6.106 30 20 JKED COc1ccccc1SC[C@H](C)CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 509260431 POFZAYWNHFIXEK-OAHLLOKOSA-N 485.660 5.261 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)c1 509899929 QDCQEZAKRLZQBG-UHFFFAOYSA-N 482.584 5.020 30 20 JKED CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1OC(F)F 511318240 CYPIJOQFFUNIFD-JOCHJYFZSA-N 465.500 6.206 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(NC(=O)C2CC2)cc1 511481299 ZNLFABVPVYURJX-KRWDZBQOSA-N 467.529 5.042 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Br)cc1 511513584 PDDUGMPNFGGACK-OAHLLOKOSA-N 463.335 5.456 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc(C(F)(F)F)cn1 513217738 DKRZBLIXVDXWMA-AWEZNQCLSA-N 478.224 5.198 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 515107983 NJMJMSJEECBBIW-MRXNPFEDSA-N 460.353 5.508 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c12 517869124 PDPAKSKNCQMOMI-UHFFFAOYSA-N 479.496 6.055 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)c3cn[nH]c23)nnc1-c1ccc(Cl)cc1Cl 520151117 UHDHELDJYOZJEH-UHFFFAOYSA-N 473.389 5.353 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c3cnn(C(C)C)c3n2)cc1 520546701 UOSUBKDGKKDPQO-UHFFFAOYSA-N 479.584 5.543 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 520867261 GZKWGBUTRSVUHT-UHFFFAOYSA-N 495.539 5.336 30 20 JKED O=C(NCc1ccc(F)c(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 521707511 AJDNIFZXRZVSFI-UHFFFAOYSA-N 466.744 5.085 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2-c2ccccc2)cc1 522499879 KAMVJYJKPSUKAG-UHFFFAOYSA-N 491.547 5.623 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)cc1 522953425 VIYJYALGCGQWOZ-QFIPXVFZSA-N 498.421 5.641 30 20 JKED CC(C)NC(=O)Nc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 523819132 JEEFFABWABTCPN-UHFFFAOYSA-N 473.552 5.139 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cc(-c4ccccc4)on3)cc2Cl)c1 551398385 QBGKZRPUIDGEOS-UHFFFAOYSA-N 458.905 5.767 30 20 JKED O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591518371 PUMVDXXYMFDHKJ-RKDXNWHRSA-N 485.322 5.392 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 595127539 WJMYOQCSRFGEAM-OAHLLOKOSA-N 469.444 5.675 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CSc1nc(C)c(C)c(C)c1C#N 603577745 MKPANRFJKWOZBG-UHFFFAOYSA-N 469.998 5.113 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c([N+](=O)[O-])cc1OC 603613721 PMKGTHIPWOVHDQ-AWEZNQCLSA-N 492.340 5.922 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nnc1-c1ccccc1C 603621961 FTNMCTXOEITMOI-UHFFFAOYSA-N 470.558 5.063 30 20 JKED CCc1cc(C#N)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)s1 604027601 LOGAFGPSQLQQOL-UHFFFAOYSA-N 481.553 5.439 30 20 JKED COc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604136459 HXUHNQOCNNLHJQ-QHCPKHFHSA-N 483.955 5.412 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cn2)cc1 604288620 IWYQVNJDYVBBHH-KBPBESRZSA-N 458.362 5.340 30 20 JKED CCn1c(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)nc2cc(F)ccc21 608929622 RZBKJAQTALDYGU-UHFFFAOYSA-N 455.518 5.058 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1OCC(F)(F)F 609010608 MRBDHOIOZCILQQ-UHFFFAOYSA-N 472.438 5.559 30 20 JKED COc1cccc(/C=C(\CC(=O)Nc2cc(C#N)ccc2OC(F)F)c2nc3ccccc3s2)c1 609068071 IVWZBHOVZRHMFW-WOJGMQOQSA-N 491.519 6.347 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2Cl)c1 609084370 VRQGYBDUWPRUAW-SANMLTNESA-N 496.954 5.030 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NCCCCc2nc(-c3cccnc3)cs2)c1 609158434 HKRGBQVDYIFCMS-UHFFFAOYSA-N 468.582 5.408 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 609186279 FZKNDTSVPIEKEB-OAHLLOKOSA-N 461.518 5.792 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(C(=O)CCCc4ccccc4)CC3)c2)cc1 609208617 YPQGUNGHXYKYSG-UHFFFAOYSA-N 468.557 5.050 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1-c1ccccc1 613346775 QLXPYTPIIZUFEP-QGZVFWFLSA-N 453.354 6.101 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 614999908 RXSBQPFUCOGSMU-UHFFFAOYSA-N 468.340 5.414 30 20 JKED Cc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 619321980 MXJYFFOXVQDCQI-GHMZBOCLSA-N 466.344 5.967 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)C(C)C)nnc1-c1cccc(C)c1 639428081 QEILJIUJOKZLQF-JOCHJYFZSA-N 463.607 5.153 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)cs1 642282269 ZBPKEJMUYVQQAL-QGZVFWFLSA-N 473.501 6.149 30 20 JKED O=C1Nc2c(Cl)cc(Cl)cc2C1=NNc1ncnc2scc(-c3ccc(F)cc3)c12 725840061 USWBQIKEMFCMPM-UHFFFAOYSA-N 458.305 5.573 30 20 JKED O=C(C[C@H]1S/C(=N/CCc2ccccn2)N(C2CCCC2)C1=O)Nc1cccc2ccccc12 726115046 ULKJCUQQQQIPAR-VDZPOYGUSA-N 472.614 5.049 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N\[C@@H](C)c1cccs1 726419943 JZWAAEAELKJCNK-GVIWJULOSA-N 499.630 5.099 30 20 JKED CS(=O)(=O)c1ccc(Oc2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)cc1 726494809 NCYZEPKAHMWDNN-UHFFFAOYSA-N 457.964 5.216 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1Br 726628097 YENVBOSMZZSZNN-APSNUPSMSA-N 465.781 5.389 30 20 JKED C[C@H](c1cccs1)N1C(=O)/C(=C/c2cccc(OCc3cccc(C#N)c3)c2)SC1=S 726630760 XHDATZRCTRQCEN-NXUSMQHESA-N 462.621 6.161 30 20 JKED N#CCOc1ccc(CNC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)cc1 727675816 HVBRLQKAXNGLHP-UHFFFAOYSA-N 455.283 5.213 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 729146288 QVIPHOMIJGSFIG-GOSISDBHSA-N 490.532 5.029 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cccc(Br)c1 730584712 ZASXMKWJPIQENK-UHFFFAOYSA-N 458.168 5.097 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1cccc2ccccc12 730686085 CWRXTOSYGOFQIV-KRWDZBQOSA-N 467.472 5.748 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](C)c2cccnc2)C1=O 730943264 ATAZRGXUEXETAW-KSFYIVLOSA-N 495.004 5.465 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](C)c2cccnc2)C1=O 730944022 PRTPGGKIFSLIRO-KSFYIVLOSA-N 495.004 5.465 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1CC2 731059936 DMPLHEMSADUDMI-INIZCTEOSA-N 462.596 5.561 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cccc(F)c2)C1=O)Nc1cccc(O)c1 731306148 SBNYDEOAIZXCOX-OAQYLSRUSA-N 483.952 5.345 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1C 731310454 IIJBFLDMQUNMBQ-OAQYLSRUSA-N 465.600 5.231 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)o1 731310683 NIMIPHUFNNNPPO-VVWXKSFDSA-N 493.560 5.408 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2cc(C)ccc2F)cc1 744114478 FKCCBZGVZJBISX-UHFFFAOYSA-O 450.559 5.078 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccc2C(F)(F)F)C1=O)NC1CC1 745584171 MTZQUGDCTDAXHX-SFHVURJKSA-N 481.927 5.159 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(COc2ccccc2Cl)n(C)c1=S 746055803 GJLHLDNJLGCGAJ-UHFFFAOYSA-N 456.015 5.171 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)nn1-c1ccccc1Cl 748483514 UIIFKWFYZXYBSG-GOSISDBHSA-N 457.921 5.158 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)CC1 750695968 NEAOKBFHOWRFHW-QGZVFWFLSA-N 461.418 5.198 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CC(F)(F)F)C2=O)cc1 799213551 SXIMTJJJLRKOOO-LJQANCHMSA-N 477.508 5.029 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1C 837412880 DYPUNQZEBPLZTH-UZUQRXQVSA-N 494.567 5.698 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 912497515 IMUFSAIPPVUPGT-AAUAEINWSA-N 469.607 5.060 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@@H](C)c2cc(C)sc2C)C1=O 914692447 YJWVWFPMUWDNRN-APPDUMDISA-N 470.447 5.501 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915103860 GZPIQVITUVOWDB-QBUQCISBSA-N 483.515 5.443 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]2c2ccc(OC)cc2OC)c1=S 915201883 FICGSDFWYBHGMT-JOCHJYFZSA-N 450.608 5.003 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OCC 915683162 MVPFBKSVXNMDNE-OAHLLOKOSA-N 459.384 5.148 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(-n2nccn2)cc1C(F)(F)F 916052365 WVRIYIOTQWVFON-UHFFFAOYSA-N 498.305 5.341 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916211884 GHFSNRBAELQTFA-RBUKOAKNSA-N 478.401 5.133 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccco2)cc1 916214979 RPKOVYWCHPBKHM-JOCHJYFZSA-N 463.559 5.147 30 20 JKED O=C(/C=C/c1cnc2ccccc2n1)C(c1nc2ccccc2s1)c1nc2ccccc2s1 916845344 UADRLCBHKBTFTF-BUHFOSPRSA-N 464.575 6.264 30 20 JKED N#C[C@H](C(=O)CCc1ccccc1Br)C(=O)Nc1ccc(SC(F)F)cc1 916888195 SRALQGLOGQICBO-OAHLLOKOSA-N 453.308 5.044 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 916901851 BNLCONONCDMHQG-INIZCTEOSA-N 491.935 5.204 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1 916910009 MYKNYXXFKWSJIJ-SFHVURJKSA-N 462.962 5.572 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1[C@H](C)c1ccccc1 916931834 OLAISQKFIZTDHY-FOIQADDNSA-N 454.357 5.982 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)cc1 916953478 CNDRETKFFDGJPS-HTAPYJJXSA-N 475.618 5.146 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 916955575 RTNIYLIDPMJQDR-UQBPGWFLSA-N 478.552 6.187 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)Nc1ccc2c(c1)OCCO2 916964185 BSAHWEDFOUSGEO-XOWYPZSQSA-N 464.930 5.200 30 20 JKED Cc1nn(CC(C)C)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995011 ANIHEGOSDGQXTR-GOSISDBHSA-N 461.418 6.005 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997245 UKHKSQZWKFJYRB-ABAIWWIYSA-N 492.334 5.624 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nnc1-c1ccc(Cl)cc1 917041481 TTXFYZQLVNGIGR-OAHLLOKOSA-N 486.935 5.332 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 917042431 CGJVJWIHFWNIDB-AWEZNQCLSA-N 490.488 5.344 30 20 JKED COc1ccc(Cl)cc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1=O 917042565 FYOWAOHLJJUVLJ-SMDDNHRTSA-N 493.894 5.206 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 917043906 PCRQLCVODSASKN-OAHLLOKOSA-N 475.879 6.433 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S 917458039 PRPBCNSXAQAXRH-UHFFFAOYSA-N 454.603 5.266 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)c1 917688818 HSESUZOBUQPDEL-XMMPIXPASA-N 487.629 5.125 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920108788 JNPMOVKOMBNXGR-INIZCTEOSA-N 487.712 5.995 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N([C@@H](C)c2ccc(C)s2)C1=O 920170497 ZXVZTSWBRQNIKS-YOEHRIQHSA-N 450.029 5.156 30 20 JKED COc1cc(OC)cc(Oc2ccc(C=Nn3cnc4sc5c(c4c3=O)CCCC5)cc2)c1 920863983 GIFKGAGXCADYNT-UHFFFAOYSA-N 461.543 5.029 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(C3SCCCS3)cc2)cc1 925497353 VIHPTEPPVALAQO-SFHVURJKSA-N 454.617 5.356 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(Cl)cc(C)nc3c1)C2 1779271615 SAPXNYMHNOVIKV-LFGPKHSOSA-N 496.051 5.093 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2cc(Cl)ccc2Cl)C1 1781611489 XCAVYIXMFMCBRB-WHSBFGAESA-N 493.475 5.208 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)c1 1786242672 RDJZBWAZIMKCMG-UHFFFAOYSA-N 465.544 5.450 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)cc3)CCC2)cc1 1786371933 QQXBIZBDMMJADL-IBGZPJMESA-N 473.548 5.227 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1 1786394685 FNTUVZMOCFPNPM-RUZDIDTESA-N 487.625 5.263 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(I)cc34)cc2)CCC1 1788356546 URSNFGVFAQEZBD-UHFFFAOYSA-N 499.352 5.096 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)c[nH]4)cc3)CCC2)ccc1F 1788721982 YTNJEFWNWKKHLD-UHFFFAOYSA-N 484.453 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cn4c(Cl)cccc4n3)cc2)CCC1 1788940001 RNMWRHRQLWDTSP-UHFFFAOYSA-N 464.997 5.728 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4[nH]ncc34)cc2)CCC1 1789341989 STQHXHTWCXAOAH-HNNXBMFYSA-N 481.394 5.285 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1789452842 AUTOYKDWQRZEBZ-FGCOXFRFSA-N 493.648 5.358 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)sc1C 1789984985 XAORDWYNRSPTMP-UHFFFAOYSA-N 488.613 5.480 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc[nH]c5nccc4-5)CCC3)cc2)c1Cl 1790081824 RJXDCULLBHNVED-UHFFFAOYSA-N 469.932 5.101 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4Cl)cc3)CCC2)ccc1Br 1790206638 LJVQCYPEZCAEOR-UHFFFAOYSA-N 498.764 5.629 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4Cl)cc3)CCC2)CC1 1790651007 CORHFKSWQWBLPY-UHFFFAOYSA-N 461.871 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790710410 KKLISMDVTJZLTD-XMMPIXPASA-N 455.558 5.858 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nnc(-c5ccccc5)o4)CCC3)cc2)c(Cl)c1 1790767914 QZONAUFZQCVFSK-UHFFFAOYSA-N 497.942 5.323 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nscc45)cc3)CCC2)c1 1790942837 DIQRGLWTAPPBQN-UHFFFAOYSA-N 482.565 5.238 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791526895 IOLIBURWMLBSPB-QHCPKHFHSA-N 483.653 5.111 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3C)CCC2)cc1)c1ccc(O)cc1 1791646502 VHRZNMBRSHNKBZ-HSZRJFAPSA-N 481.596 5.349 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C45CC(C(F)(F)F)(C4)C5)CCC3)cc2)c1 1792123280 SDRRUFCNOGVPAX-HHDZUXODSA-N 481.518 5.794 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)c1 1792123782 QLJBAKYIOZOFEY-FQEVSTJZSA-N 474.564 5.923 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(Cl)c(C)c2)[nH]n1 1796367399 CFYWMRSLROPGFE-WKCHPHFGSA-N 467.013 5.059 30 20 JKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Br)cccc1-c1ccccc1 1799281325 OLBLIGBDLPQULR-WKCHPHFGSA-N 479.418 5.171 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)c4c(nc3c1)CCCC4)C2)C(F)(F)F 1801701613 HIINRGNVYUOCQQ-BJWYYQGGSA-N 491.941 5.137 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)oc3cc(O)ccc23)[C@@H]1c1cccnc1 1802499432 SBKZAVURHNPBRV-NBGIEHNGSA-N 475.589 5.154 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@H]4CC[C@H](C(F)(F)F)CC4)CC3)C2)cc1 1804763433 WUQVJICJSHWTGK-YHBQERECSA-N 489.582 5.091 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1 1805857554 SPKRSSDKWSFYRC-YADHBBJMSA-N 475.658 5.339 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808158447 IJIBHJAFHUQMPH-TVVUZDRGSA-N 464.997 5.057 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1810173460 JDGRQECQTMNGRY-DRLORSAXSA-N 498.652 5.637 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3c(C(C)C)nn4ccccc34)C2)CC1 1810440793 VKMVWBFJHZPBTJ-UHFFFAOYSA-N 462.638 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1810499353 CHSJWZIGFQFTOC-ISKFKSNPSA-N 488.657 5.517 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810602133 NWNZHBQWMJCPRG-VGOFRKELSA-N 475.967 5.325 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccccc4c(Cl)c3OC)[C@H]2c2cccnc2)C1 1811438144 GVRAKUHPZPQLFG-NBGIEHNGSA-N 490.003 5.183 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811466178 IITQHJUWLKMXFE-LIRRHRJNSA-N 486.321 5.059 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811734839 UJZULZGGDIIOEB-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812221685 SWTWFCJZARPZRC-KNQAVFIVSA-N 469.557 5.136 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CCC3)[C@H]2c2cccnc2)c1 1812514057 CROCXEBRQUSUBZ-JYFHCDHNSA-N 499.014 5.048 30 20 JKED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1813042702 JWMFTDMKOBGDJR-QYXIYQDXSA-N 491.682 5.012 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1F 1813864348 ZOZOQVHITMUAJK-FCTLNWHPSA-N 498.602 5.109 30 20 JKED CC(C)Oc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C3(C)CCCCC3)[C@H]2c2cccnc2)cc1C#N 1813960265 HMAOYKXKELZANV-OZXSUGGESA-N 488.632 5.030 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(Cl)c3)[nH]n2)C1 1814397396 HLXAPKZIOJMYFF-FQEVSTJZSA-N 456.974 5.122 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)[nH]n1 1814442436 MLLRRIFRCSWTKH-QFIPXVFZSA-N 480.609 5.066 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](F)c3ccccc3)n[nH]2)c1 1815557907 BIYIFWYEBMINMR-CUHUQNRHSA-N 459.525 5.053 30 20 JKED CC1=CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CC1 1818807559 FOLOHGYEKOBMTB-HRAATJIYSA-N 496.409 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)[nH]n1 1819309501 VPESNEACCUSTDY-RXVVDRJESA-N 471.001 5.536 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)[nH]n1 1819552874 HTJSWCPNBOBGLZ-XJUOHMSHSA-N 464.610 5.207 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)[nH]2)n[nH]1 1819631999 JJGRTTGWVJKUQP-INIZCTEOSA-N 451.493 5.055 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)cc1 1819966334 UNPYEXINJTVJGE-MRXNPFEDSA-N 474.373 5.269 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820079238 BMKGCSONDJBDDA-CJFMBICVSA-N 497.599 5.226 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)c[nH]3)n[nH]2)c2ccccc12 1820310884 HMLCAYUJVHAXGB-RUZDIDTESA-N 480.572 5.010 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)[nH]n2)c1 1820486221 XZROMEVGTOFDNK-QHCPKHFHSA-N 484.947 5.103 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC3CCC(C)(C)CC3)n[nH]2)c(C#N)c1 1820979129 ZIJWBPVCHTVVFM-XMMPIXPASA-N 491.636 5.131 30 20 JKED Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1821108535 WCRAYGXVPGBQFG-SBUREZEXSA-N 459.525 5.104 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)sc2c1 1821181723 OWBKIHVIZFIQBX-QFIPXVFZSA-N 483.597 5.619 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1)c1ccc(Cl)cc1 1821270968 MIFAEULBJAIWEP-QRQCRPRQSA-N 479.943 5.183 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2F)[nH]n1 1821986263 DEQASRJLKNRQGI-MRXNPFEDSA-N 499.331 5.137 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Br)c(Cl)cc3C)CC2)C1 1823701754 CUFVLRVIAONOKE-QFIPXVFZSA-N 493.873 5.610 30 20 JKED N#CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccccc3Oc3cccc4ccccc34)sc2C1 1823827372 XMKFDGFVLBERII-SFHVURJKSA-N 482.565 5.228 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1823885985 NDWLBXSPCCGNKY-MHZLTWQESA-N 494.639 5.685 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824961606 SCAXKPDRKUOGQG-DEOSSOPVSA-N 476.642 5.739 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1825951411 OIRWQDIVVYPERC-XMMPIXPASA-N 461.606 5.304 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826479761 XLQFOCIJJPQMTO-QHCPKHFHSA-N 462.556 5.061 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827344340 RZISOSKXBHLZGZ-JPYJTQIMSA-N 470.013 5.441 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(C)noc3-c3ccccc3)CC2)c1 1827715542 WXPJWSUKIDZNGC-SANMLTNESA-N 496.611 5.377 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828708186 BRYTUVBGTVIQJC-QHCPKHFHSA-N 480.033 5.168 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829008917 WTJTUOUVMSEFMS-KWYINTIXSA-N 480.008 5.450 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)CC1 1829068148 HSTZGQMLVPKBRF-PKTZIBPZSA-N 489.701 5.068 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)c1 1829491111 JICVIDUNRPQIKP-NDEPHWFRSA-N 496.586 5.306 30 20 JKED Cn1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc2ccccc21 1829690366 YQQUIPYTFAMPFF-DEOSSOPVSA-N 489.019 5.250 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2SCC)CC1 1829865084 NMMKDASRBIEFAM-OAQYLSRUSA-N 457.684 5.419 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1829994347 SFPIYBWNWGEMSL-VWLOTQADSA-N 497.561 5.443 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)cc1 1830016900 NOJSFEBSVZCIDC-QFIPXVFZSA-N 488.390 5.551 30 20 JKED CCCCCc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)ON=C(C)C)CC2)cc1 1830418972 IKVFIVGBGBGDFT-KCWPFWIISA-N 483.697 5.382 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1830422252 UBECNCNPKZCUHS-PGRDOPGGSA-N 481.559 5.048 30 20 JKED O=C(Cc1cscn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601613 GOKVMRRJHFOHMR-MUUNZHRXSA-N 497.664 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(C)(C)C)s3)CC2)CC1 1838162680 YDJZGMCXRRAUJG-UHFFFAOYSA-N 474.711 5.650 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1838276875 HBASDLBPKHDWJP-TWJOJJKGSA-N 485.068 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC[C@@]13CN(Cc1ccccc1)C[C@H]3C)C2 1844355344 DFQFXTMQKYNQOM-HUAHKICQSA-N 491.720 5.121 30 20 JKED CC(C)Cn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc2ccc(Cl)cc2c1=O 9091484 SEVKUZYWJLFJKY-QGZVFWFLSA-N 469.010 5.133 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1ccccc1)c1ccc2c(c1)CCC2 10172422 IXFBSWHFDJWVDD-UHFFFAOYSA-O 465.598 6.306 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccc(Cl)cc2)cc1 10240627 YJHSBPSZDJYKGQ-INIZCTEOSA-N 489.988 5.587 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2Cl)cc1 10826594 VIKCBZKCZKIPCS-UHFFFAOYSA-O 473.996 6.860 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(Cl)cc1Cl 10836419 NEFFIDPXSOWGIK-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113508 PSPMICWBPGWZAR-UHFFFAOYSA-O 488.649 6.248 30 20 JKED Cc1ccc(/C=C/c2nc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n[nH]2)o1 12843471 OFCQGTISWASGIK-VNDWYCCKSA-N 453.593 5.198 30 20 JKED C=CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2cc(-c3ccccc3)sc2c1=O 17889849 XEEIGBFYWPYJNR-NRFANRHFSA-N 461.612 5.233 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(Cl)c2c(c1)OCCCO2 19296869 QWEIEHIAVPGLRJ-UHFFFAOYSA-N 461.946 5.289 30 20 JKED C[C@@H]1CCC[C@@H](n2c(SCC(=O)Nc3ccc(CC#N)cc3)nc3ccccc3c2=O)[C@@H]1C 20069308 VXMXLSJTODBIAU-PMAPCBKXSA-N 460.603 5.191 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1cccc(Cl)c1 22354154 IJOZKZBXZBYFBN-UHFFFAOYSA-N 489.004 5.081 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)s1 22695274 VWBOTRDMBBOAOC-UHFFFAOYSA-O 476.474 6.581 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)cc1C 22695436 MUFFOLCSSYCLNC-UHFFFAOYSA-O 451.562 5.799 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)nnc1-c1ccc(F)cc1 25023729 KEFWKAIOLRNBKR-UHFFFAOYSA-N 493.633 6.266 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccccc2)c1 25613334 NBVPUKLCEYEOQZ-IBGZPJMESA-N 469.006 5.555 30 20 JKED C[C@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 31696850 RCYMWSAAINCWFP-ZDUSSCGKSA-N 492.651 5.203 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)nnc1C1CC1 36849784 SDHUCDLYNRCCRN-UHFFFAOYSA-N 453.637 5.700 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(C)o2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 59359983 LJRBNBJYCZIXOX-KRWDZBQOSA-N 468.586 6.199 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 105605931 MGSGTBPBSXTISO-GOSISDBHSA-N 466.010 5.520 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)oc12 106055302 NSJLMXBDYLKZRE-INIZCTEOSA-N 474.517 5.045 30 20 JKED Cc1cc(Br)ccc1NC(=O)CNc1cccc(OCc2cccc(C#N)c2)c1 108345507 HTDNVXSSBJOUJD-UHFFFAOYSA-N 450.336 5.259 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 109328688 AZNGZQBSIFNENM-UHFFFAOYSA-N 461.484 5.087 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(NC(=O)c2ccco2)c1 109909313 HVXZWHPTCZOPSH-UHFFFAOYSA-N 457.299 5.262 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)CC1 303281627 UQUMTAJYDLJZGV-QFIPXVFZSA-N 464.953 5.334 30 20 JKED CCn1ncc2c(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cc(-c3ccccc3)nc21 481929741 GPSTZPLHZGABGY-UHFFFAOYSA-N 465.435 5.183 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CCc2ccccc21 484878314 HQLGTDBTJWMLFU-HHHXNRCGSA-N 467.569 5.196 30 20 JKED COc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 493062663 UQPMWJSGXZQVFG-UHFFFAOYSA-N 490.416 5.519 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 494680732 WHELXNAJVUTSES-UHFFFAOYSA-N 486.380 5.499 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3c(c(C)c2C#N)CCC3)cc1 494997024 LTCIRAACVYLYIX-KRWDZBQOSA-N 486.597 5.131 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 498426712 YNIULWUBGMSPFI-UHFFFAOYSA-N 496.976 5.314 30 20 JKED CC(C)Cn1c(SCC(=O)NCc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 499084784 LAFUUPJCHPIRMJ-UHFFFAOYSA-N 474.417 5.188 30 20 JKED COc1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)ccc1OCC(F)(F)F 500723345 AUOVJRKXCSQCEU-UHFFFAOYSA-N 472.488 5.589 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(-n2c(C)cnc2O)cc1 502404961 OFMLFTNQLFQVBQ-IBGZPJMESA-N 467.529 5.741 30 20 JKED COc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC1CCCC1 503767439 CLGAZGAIMPYWCY-UHFFFAOYSA-N 487.575 5.939 30 20 JKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 505036205 UGVXXPFMEDLCLD-UHFFFAOYSA-N 456.546 5.248 30 20 JKED CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 511391329 OMPCBHMPDQBPOV-IBGZPJMESA-N 459.546 5.622 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(Br)cc1 511513582 PDDUGMPNFGGACK-HNNXBMFYSA-N 463.335 5.456 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513661866 WFGAMAGQWLGHEO-IBGZPJMESA-N 468.538 5.018 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(F)cc1 515423964 JHSCFIAZBOYFRU-AWEZNQCLSA-N 480.487 5.138 30 20 JKED N#C[C@@H](C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1nc(-c2ccccc2)cs1 515542277 QXPUVORGXURTMF-QFIPXVFZSA-N 463.518 5.096 30 20 JKED C=CCN(C(=O)CSc1nncs1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 515609824 VIFJWSQQFTZJPN-UHFFFAOYSA-N 450.614 5.640 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(C)nn(Cc5ccccc5)c4s3)n2)cc1 517800771 GWLPMIRKPSALTA-OAQYLSRUSA-N 484.606 6.077 30 20 JKED C=CCN(C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 518231622 ATJZHRAPKQWQLL-GOSISDBHSA-N 498.616 5.106 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c1 518308032 IVNKJUQXNBOLGK-UHFFFAOYSA-N 463.331 5.615 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCCCC[C@@H]1c1ccncc1 518574833 HWIWIRKRLZYRCG-RUZDIDTESA-N 454.530 5.136 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 519976905 OESNXFSQIVFNAA-UHFFFAOYSA-N 479.462 5.600 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 520187220 GOTZHSKCLFUEAR-MRXNPFEDSA-N 494.414 6.348 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)cs1 520672935 APESKVFXYWNWIS-KRWDZBQOSA-N 482.565 5.598 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N(CCO)Cc3cc(Br)ccc3F)cc2)c1 520938406 XOQBQGGQYPQDEW-UHFFFAOYSA-N 484.325 5.279 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 521769869 VWDSUZKGYUYZHQ-PXNSSMCTSA-N 458.649 5.029 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Br)cc1 521810549 UGKSOQWXOKCKSI-KBXCAEBGSA-N 476.396 5.269 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c1 522586887 XRHPJDZKGXSAGJ-UHFFFAOYSA-N 463.493 5.185 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1 524571631 LGQMPWXNFZIWOI-MRXNPFEDSA-N 473.396 5.172 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1Oc1ccccc1 524676225 MACKFVSAZXHAQN-MOPGFXCFSA-N 459.571 5.547 30 20 JKED Cc1ccc(OCc2nc(CC(=O)N(Cc3ccccc3)c3ccccc3C#N)cs2)cc1 576134692 NJSWATIVMBQOAX-UHFFFAOYSA-N 453.567 5.678 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 588342236 RJXGORAKJICYDS-INIZCTEOSA-N 450.354 5.315 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccccc1F 590615871 MCTWQJXHGVJUQY-UHFFFAOYSA-N 478.597 5.406 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4sccc4C#N)o3)c3ccccc3n2)cc1 603597278 GCMCQSBWHWEPRN-UHFFFAOYSA-N 483.578 5.924 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1Cl 603829121 YJVLHIACRALJDW-XMMPIXPASA-N 459.981 5.177 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(OCc2cccnc2)cc1 604361789 LQHRMTMPMJZHNL-FQEVSTJZSA-N 464.525 6.207 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)cc2)c1 609064526 CDBYMMVWODLJFV-UHFFFAOYSA-N 460.555 5.106 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 609213523 RTKWRBCESHPMAO-MRXNPFEDSA-N 454.527 5.625 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 609434584 ATSHDPCTJQPBMS-SFHVURJKSA-N 451.592 5.486 30 20 JKED COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC(F)F 613344955 ZGVPSSDQRBOWIY-CYBMUJFWSA-N 469.296 6.217 30 20 JKED Cc1cccn2cc(COc3ccccc3C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)nc12 613407035 DRSJBAJPSLUSIY-IBGZPJMESA-N 472.957 5.975 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618295569 TVLRJTYVZZQJIF-UWVGGRQHSA-N 458.761 5.645 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OC)C(C)C)nc2sc(C)c(C)c2c1=O 639388061 UCKPYXQJEQRRSR-IBGZPJMESA-N 457.621 5.025 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cc1 642282720 YUGJDEIFYCIDMW-FQEVSTJZSA-N 494.523 5.055 30 20 JKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643049738 PJIIOGRHZPFWKP-HTQZYQBOSA-N 484.746 5.323 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC(C)C)cc1 726416185 SEHHWVIFNXUACX-CVDCTZTESA-N 483.634 5.025 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2ccc(F)cc2)C1=O 726419445 FKTYKHDEJWPIGS-IMPGVWCTSA-N 497.617 5.486 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3cccc(C)n3)C2=O)cc1 726420435 LRNBGQYBXCWXCV-ULOJKKRISA-N 478.643 5.350 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 726755973 QNAUIVFGVBFRIE-QGZVFWFLSA-N 476.989 5.752 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC2CCC2)cc1Cl 726889840 HSTOFZXDDCFSOX-FQEVSTJZSA-N 475.973 5.248 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3cc(C)c(Cl)c(C)c3C2=O)cs1 727780340 LSWZBGGFWSQRAX-LICLKQGHSA-N 452.963 6.065 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2C#N)cc1F 728425148 KXCFWZBVZWERAS-XMMPIXPASA-N 497.555 5.038 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccs2)c1Cl 728430266 PSEKDOIEHJXSJQ-HNNXBMFYSA-N 468.431 5.164 30 20 JKED Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1cc2ccccc2nc1N1CCOCC1 728441201 GSTKDENSYCYLOW-ZHACJKMWSA-N 459.546 5.539 30 20 JKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 728767051 TZENSCZHPFMEKO-UXHICEINSA-N 452.432 5.862 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)c1 728779033 WSLXZQFMDQCARB-DEOSSOPVSA-N 470.598 5.802 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1OC 729431764 AZSSDWLWGFYUKP-GFCCVEGCSA-N 455.750 5.873 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccc(C#N)cc3F)C2=O)cc1 729819019 SIFAPCKVUJSGLA-HSZRJFAPSA-N 490.535 5.305 30 20 JKED C[C@@H](OC(=O)c1sc2cc(Br)ccc2c1Cl)C(=O)Nc1ccccc1C#N 729870845 KCZBRLOOSKROJV-SNVBAGLBSA-N 463.740 5.373 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)cc1OC 730459518 KMOKRZVXCMVIHN-FQEVSTJZSA-N 491.972 5.009 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730459562 LGPKFKXTUJXONZ-IBGZPJMESA-N 495.954 6.180 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1)c1cccs1 730463404 WXLUWEVMDWZTSO-UTXPERIOSA-N 481.565 5.709 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 731076921 DNTPZKVPKWRRRL-JLSDUUJJSA-N 473.392 5.129 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@@H]2c2ccc(OCC)cc2)c1=S 732526376 BBGPMMPBKBLQDL-ZJSXRUAMSA-N 478.618 5.306 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)[C@@H](C)c3c(C)noc3C)c2C#N)C1 750270103 NJDHNBHIXIZSRE-BBRMVZONSA-N 457.596 5.051 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 751108109 NIMUEQFYEWHQCN-UHFFFAOYSA-N 452.264 5.582 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2(C#N)CCCCC2)c1 787712011 REXFYZULHMNXQN-UHFFFAOYSA-N 492.428 5.331 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CC(F)(F)F)C2=O)cc1 799218597 HZZKUVAKUFSBOO-INIZCTEOSA-N 455.889 5.171 30 20 JKED N#Cc1ccc(COC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c(F)c1 811808763 FTPMATUNQMJOOY-UHFFFAOYSA-N 482.924 5.086 30 20 JKED C=CCc1ccc(OC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c(OC)c1 818031119 DPHDCHBBFSDCIY-MRXNPFEDSA-N 492.622 6.028 30 20 JKED C[C@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)N(CCC#N)c1ccccc1 828582805 KUTKZDMWZVQCNC-REWPJTCUSA-N 460.603 5.157 30 20 JKED COc1ccc(-c2nc(Cc3noc(-c4cccc(OCc5ccccc5C#N)c4)n3)co2)cc1 904332535 QANCZYDZBCMTTA-UHFFFAOYSA-N 464.481 5.442 30 20 JKED Cc1sc(-c2ccco2)nc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 913309338 DLOXPYKWIXHUHO-UHFFFAOYSA-N 466.563 5.302 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)Cc1cccs1 914690085 JDNQVWROODCTHF-VGSWGCGISA-N 479.627 5.348 30 20 JKED N#C[C@H](C(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1nc(-c2ccc(Cl)cc2)cs1 915101575 IQFJSRWNVFGYDX-OAHLLOKOSA-N 458.326 5.291 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 915421934 BFNSQRSICCHILG-UHFFFAOYSA-N 451.276 5.103 30 20 JKED CCCC1C/C(=C\c2cc(OC)c(O)c(OC)c2)C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)C1 916137934 VAIMTVLEBGVLLL-ROUMAOROSA-N 468.546 5.378 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C[C@@H]2CCCO2)c1 916204761 BFOBBFNZBPHAOB-XUZZJYLKSA-N 473.598 5.288 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O 916211198 LRTXEIOWFYAUNH-QHCPKHFHSA-N 492.576 5.170 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccccc3)C2=O)c1 916216570 WVIRTSOGBCGRTR-DEOSSOPVSA-N 489.597 5.173 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 916217472 NVYHLKMYMNEIMC-HSZRJFAPSA-N 479.577 5.366 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cs1 916283675 MZOCNMHRRUZXNZ-UHFFFAOYSA-N 485.594 5.457 30 20 JKED COc1cccc(-c2nc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)cs2)c1 916309223 CLXSNJOMXMOJNE-UHFFFAOYSA-N 458.568 5.448 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 916449754 KZALNFMVKJJCDQ-UHFFFAOYSA-N 457.530 5.931 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 916546526 WRDVJRKSWYDECA-UHFFFAOYSA-N 470.989 5.959 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1CC(=O)O 916546881 MRJXDZZXWFJWFO-DAXSKMNVSA-N 486.274 5.149 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)n2)cc1 916828015 HRJNEKLGFTYCJA-QHCPKHFHSA-N 451.507 5.388 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 916903645 PZRSKRNFRBFQLX-QFIPXVFZSA-N 454.574 5.362 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 916922188 CUKMLDSRDLZZDN-LJQANCHMSA-N 478.932 5.287 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1OC 916934094 FLHSSTOOZFIEET-INIZCTEOSA-N 485.359 5.156 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)SC1=S 917644181 APNALGXEZZPWSY-FYJGNVAPSA-N 475.982 5.870 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)s3)C2=O)cc1OC 917674994 DSGVFPYATKGGRW-JOCHJYFZSA-N 495.626 5.234 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1 917675194 GOOLIEOLVFQKFA-QHCPKHFHSA-N 488.569 5.372 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccc(C)n2)cc1 917683351 WVZRPPHDRBQAIT-HSZRJFAPSA-N 458.587 5.167 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 917699340 BHOQHMGJHHLIJI-IBVKSMDESA-N 494.620 5.634 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cccnc1SC(F)F 918256945 LIZMCXCMWAMTDG-UHFFFAOYSA-N 476.345 5.531 30 20 JKED CCCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)c1cc2ccccc2o1 919766030 WWNXLLQLQRJHED-IBGZPJMESA-N 481.618 5.032 30 20 JKED COc1ccc(OCc2nc(/C=C3/CCOc4cc(Br)ccc4C3=O)cs2)cc1 920065613 ANKDSNMLGZDCIH-UVTDQMKNSA-N 472.360 5.542 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3ccccc3c2)s1 920168626 MPMLAMCIRXLTQA-KSFYIVLOSA-N 463.628 5.571 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3sc4nccnc4c3N)CCC2)cc1 1785842214 UWGITDMXPXVRFB-UHFFFAOYSA-N 463.607 5.014 30 20 JKED Cc1onc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c1C 1786538490 PFRCDFPBERWVRO-UHFFFAOYSA-N 451.643 5.090 30 20 JKED CC(C)(C)OC(=O)NCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1786564318 ZZCRPRBVFHJHQT-UHFFFAOYSA-N 490.604 5.001 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)c1Cl 1787353962 RYCNCIUENKHQPY-UHFFFAOYSA-N 498.892 5.687 30 20 JKED CC(C)(C)CC(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1787658552 FNRMDRQAZUAXKH-UHFFFAOYSA-N 496.652 5.098 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788803476 ABXPOICPXDSOPV-FQEVSTJZSA-N 470.573 5.297 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5[nH]ccc5n4)cc3)CCC2)c1 1789270507 OKHPUTBLYWQENI-GOSISDBHSA-N 463.541 5.251 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)cc2)CCC1 1789990399 HYFQIGDCXNGVPS-IBGZPJMESA-N 469.610 5.672 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccsc5[nH]4)CCC3)cc2)c1 1790075590 IPZCSCYPHLNCCJ-UHFFFAOYSA-N 470.554 5.171 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CCC1 1790279770 MACRBRRMIPLSQX-WKULSOCRSA-N 469.463 5.165 30 20 JKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1)c1ccc(O)cc1 1790508677 PVUXLZGXBJHKHO-IBGZPJMESA-N 453.542 5.010 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790553958 VXLMNLYAYKQHSE-AZUAARDMSA-N 457.615 5.026 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCc4cccc(Cl)c43)CCC2)cc1 1790567209 IPPZRXCTFNKCSL-UTKZUKDTSA-N 467.997 5.305 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)CCC1 1790620659 HPHFXPLGFLZKNB-UHFFFAOYSA-N 496.611 5.508 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccnc4ccc(Br)cc34)cc2)CCC1 1790836937 BUGZHTRONWDTTM-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3nc4ccc(Cl)cn4c3C)cc2)CCC1 1790976388 LLCGJYCPSRIWPJ-UHFFFAOYSA-N 480.996 5.027 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)cc2)CCC1 1790989453 VKIOEUZRPJRTNN-FQEVSTJZSA-N 490.551 5.055 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccn4c(C)cc(C)nc34)cc2)CCC1 1791002271 UPEDETVPUFAKED-UHFFFAOYSA-N 456.590 5.467 30 20 JKED CCCCCc1ncc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)ON=C(C)C)CCC3)cc2)s1 1791077252 LBNSHWYMUFVEGZ-GOSISDBHSA-N 470.639 5.424 30 20 JKED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)C[C@@H]21 1791271153 ILPSIDFWTRFOMB-FSEMWLHASA-N 496.607 5.029 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3cc(Cl)ccc3OC)CCC2)cc1)C(F)(F)F 1791305244 HGPPAWKYFPVIGO-UHFFFAOYSA-N 466.887 5.144 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CC3CCN(C(=O)OCc4ccccc4)CC3)CCC2)cc1 1791589257 PXNGBHOUCOCZBM-UHFFFAOYSA-N 489.616 5.136 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CCOC3)cc2)CCC1)c1ccccc1 1792021975 CMRPWJYLZCXPIU-GJZUVCINSA-N 458.602 5.134 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3)cc2)CCC1 1792156568 ITALNNXBDRCBRM-UHFFFAOYSA-N 450.604 5.142 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1)C(F)(F)F 1792169176 ZDKJPYGSZSCAMS-UHFFFAOYSA-N 471.479 5.212 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCC5CC5)cc4F)CCC3)cc2)CCC1 1792233398 LVIKYBNHYUOIFM-UHFFFAOYSA-N 461.537 5.056 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)c1 1792380603 XCRJOCXMLZHBLE-SANMLTNESA-N 465.500 5.060 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(C)cccc3[nH]2)[C@H]1c1cccnc1 1802500093 WHYQVEQCMRUOBW-OFVILXPXSA-N 458.606 5.183 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccccc3c1Br)C2 1802631190 MLUVDAYTKUNDCA-ACDBMABISA-N 467.407 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c1 1802713166 AXXMHMKUFQGKNM-SAQVGAHLSA-N 490.966 5.135 30 20 JKED Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc([C@@H](C)C#N)c3)sc2c1 1803684857 QFVOOSVKPOWECP-QMZRJTEUSA-N 457.599 5.402 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)C4(c5ccc(Cl)c(Cl)c5)CC4)CC3)C2)C1 1804788454 PBUWSCPSBDGWJF-UHFFFAOYSA-N 461.433 5.222 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(F)c(C(F)(F)F)c3)CC2)C1 1805458656 ROEIIXTUKLOFCI-UHFFFAOYSA-N 480.546 5.387 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808546996 SLCZPKXIOMHPAX-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1810171231 BXZRFLCJYHIYOM-QQKQFIJSSA-N 485.550 5.117 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)c1 1811832508 UBUWZXKVIVEEDY-GBXCKJPGSA-N 493.394 5.202 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1)C(F)(F)F 1812683174 KVMZFFFAPNSVHL-RPWUZVMVSA-N 479.502 5.187 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@H]1c1cccnc1 1813222735 KSAWBDJGZMGNEP-VUFXOVIRSA-N 459.634 5.111 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)CC1 1814379137 DGFPBNIYBFCKOC-DEOSSOPVSA-N 475.637 5.513 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938611 AZWUNDGNJIYQRT-OAOOKAIFSA-N 473.017 5.086 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1815571942 CPOQIJSEGQXQDF-INIZCTEOSA-N 494.411 5.606 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815586842 IBZTYXIYBKFTIN-BFLUCZKCSA-N 489.664 5.082 30 20 JKED Cc1ccc2[nH]cc(CC(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)c2c1 1815792018 BJGZCCVONSUVRA-SIBVEZHUSA-N 494.599 5.375 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)n[nH]1 1816865135 RRPCSXXPWNQGPJ-UWJYYQICSA-N 491.419 5.556 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[nH]n1 1817124661 SGPQJZGTQBSZHY-NRFANRHFSA-N 468.001 5.261 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4cc[nH]c4c3)n[nH]2)cc1C#N 1818489559 ZSPDRZZQZSCKTL-DEOSSOPVSA-N 496.571 5.170 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819078681 JBLIJDQIRWZOMQ-LJQANCHMSA-N 452.555 5.263 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)[nH]n1 1819303370 VBMLCFZFIMIZQP-ILBGXUMGSA-N 475.637 5.087 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)[nH]n1 1819308911 HWLXBAUSCXPBQR-GMAHTHKFSA-N 492.620 5.281 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1819309144 NCFLZYXUVAWNLP-UYAOXDASSA-N 469.655 5.673 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1819363593 HQWHYJIUHFSHEZ-FUHWJXTLSA-N 487.025 5.157 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2scnc2C2CC2)[nH]n1 1819384321 IXSFQVORNWIWHW-LJQANCHMSA-N 483.714 5.101 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820150454 LUOHDVQPNOMELU-QFIPXVFZSA-N 453.546 5.211 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2)c1 1820208086 MPEQKEVRFIXCFP-NRFANRHFSA-N 498.370 5.216 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)c1 1820530294 PRMMKBBKEZVKHH-OPAMFIHVSA-N 495.505 5.675 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)[nH]n2)cc1 1820546758 AISZGYBUBYFWCU-FQTAANOTSA-N 493.489 5.319 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2)cc1 1820549233 NGLHIZBKYHWQRB-HXUWFJFHSA-N 468.344 5.208 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1822400505 NVTIEBFWVSMRFR-UTKZUKDTSA-N 465.985 5.233 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1822582790 WXDOTOSRXHSZIU-LJQANCHMSA-N 464.463 5.067 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823213609 YMFZYNMHLNVYQX-OMSKPKMWSA-N 473.602 5.508 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)CC1 1823667049 UVPJIZLQNOCSCE-UKILVPOCSA-N 461.606 5.343 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 1823753809 IUKAEUGCQLLLGI-FQEVSTJZSA-N 466.453 5.614 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)CC1 1824443341 QFESBCKPGUPCLY-FYYLOGMGSA-N 476.633 5.445 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1824878443 BJEHKFWXWPGMON-VWLOTQADSA-N 481.999 5.135 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)CC1 1825097787 CLMMGLTWXSRWEA-DEOSSOPVSA-N 491.598 5.421 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1825767100 YZBUIDQJIANVCH-RUZDIDTESA-N 482.584 5.069 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826479212 OVINUPOTHAQKNP-FQEVSTJZSA-N 472.498 5.079 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826511408 YCNJNDFIHCKEPW-DNQXCXABSA-N 476.583 5.636 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827334632 PRIVNLOYZVEHEO-AREMUKBSSA-N 457.618 5.094 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)[nH]c2c(Cl)cccc12 1827519760 LIJUNTUUPJPYMM-DEOSSOPVSA-N 489.019 5.549 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cccnc3n2)CC1)c1ccccc1 1828531609 NANKUXGDMFIPSR-IXCJQBJRSA-N 494.639 5.060 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1828827813 VWERWIGWNPDPHJ-LADGPHEKSA-N 473.057 5.740 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1829067273 HAEYIWDXCIODAC-KCWPFWIISA-N 479.709 5.663 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1829420226 VRBYHJRMCSNBRY-VWLOTQADSA-N 498.652 5.158 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829573368 PLLJLSUSTJSTAX-URXFXBBRSA-N 473.617 5.669 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(Br)cc2C)CC1 1829784095 UKYTWDYSZVPUQL-IBGZPJMESA-N 497.499 5.035 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)CC1)c1ccccc1 1829803574 XJKSOAFGELGIPJ-AOYPEHQESA-N 475.633 5.229 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)c1 1829955204 YYVAZCZJWYZKAU-UUSJWDGRSA-N 461.650 5.398 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1830680037 KOQHQGBLCGCGSA-VWLOTQADSA-N 483.616 5.013 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)Cc3cccc(Br)c3)CC2)C1 1831715351 FDIXZZHHJCUFAN-NTKDMRAZSA-N 487.482 5.214 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1832030254 JJMLFLZWQQYQNO-QHCPKHFHSA-N 498.465 5.357 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1832629465 RLKPXGUAWFBYNI-BCHFMIIMSA-N 496.026 5.582 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCC2)CC1)NC(=O)OC(C)(C)C 1832753457 YRMZDOAXKONZFX-GOTSBHOMSA-N 489.701 5.046 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CCC1 1832785717 HWPPZXXWCGUQKE-AREMUKBSSA-N 473.592 5.420 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1832925120 VALBMABHRPXILL-BJKOFHAPSA-N 489.701 5.022 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CNC(=O)OC(C)(C)C)CC1 1832998300 JHOQREDALYZIOD-QFIPXVFZSA-N 491.717 5.149 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C2)cc1C#N 1841417428 MJVZMZOJVSKSQR-VWLOTQADSA-N 494.035 5.256 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)c1Cl 1844736141 UKOZTEMHXRUUME-UHFFFAOYSA-N 484.943 5.084 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)CCCCCCCCCc2ccccc2)C3)c1 1844797594 URFGPDGLVZAUNT-UHFFFAOYSA-N 460.622 5.067 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CC4(CCCN4C(=O)c4cccc([C@H](C)C#N)c4)C3)c2c1 1846827416 HZBHTFPZEKSATH-HXUWFJFHSA-N 499.611 5.398 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccc(Cl)cc1Cl 9225029 XGLGWFZAVZXFSW-UHFFFAOYSA-N 471.772 5.961 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccccc2CC)cc1 10174236 VPJGBDNWGCXNGN-UHFFFAOYSA-O 468.440 5.912 30 20 JKED CC[C@H](C)n1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 11416442 FALLGSGYMIGIMT-SFHVURJKSA-N 483.663 5.111 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C)cccc2C)c1 15992727 VRARFNKJQVPDBU-UHFFFAOYSA-N 489.424 6.244 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Br)s2)n(C2CCCCC2)c1C 16655279 IWNWVHASXCXGHU-UHFFFAOYSA-N 464.385 5.101 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(C)cs2)nc2sc(-c3ccccc3)c(C)c2c1=O 25638643 WHUPKBCPWDSBQJ-UHFFFAOYSA-N 468.629 5.115 30 20 JKED CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2[C@@H](C)c2ccccc2)cc1 28609321 JOAHSPUFHHRZGW-FQEVSTJZSA-N 497.624 5.631 30 20 JKED CCOc1ccc(-c2nc(C)c(/C(O)=N/c3nnc(SCc4ccccc4)s3)s2)cc1 28964535 HVMVVOSAQNATIE-UHFFFAOYSA-N 468.629 6.297 30 20 JKED C=CCn1c(SCc2nc(N)c3ccccc3n2)nc2cc(-c3ccccc3)sc2c1=O 29589932 OUUMVEHEVSYMGU-UHFFFAOYSA-N 457.584 5.129 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)nnc1-c1ccoc1C 36213281 CTCJDGMKLFELTE-UHFFFAOYSA-N 479.631 5.812 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 78720048 KJYOXXPAFQGCLJ-HNNXBMFYSA-N 463.563 5.781 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1Cl 105420480 APFJPMIVHKJLMT-UHFFFAOYSA-N 474.977 5.034 30 20 JKED O=C(NCCc1cc(F)cc(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 105473457 IOIREUCXNKMDDV-UHFFFAOYSA-N 463.328 5.161 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c2ccccc21 255932804 PLWZQYBZVHTAFI-UHFFFAOYSA-N 475.577 6.049 30 20 JKED C[C@@H](Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1)c1ccccc1 255938093 LTZFVHDRFZLDCR-HNNXBMFYSA-N 452.605 5.349 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)Nc1ccccc1)c1ccccc1 302898864 MPAFRYOPMLCZSZ-DEOSSOPVSA-N 491.016 6.169 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N 409831546 WBAODZOGRXLETJ-MRXNPFEDSA-N 470.641 5.590 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(F)cc1 480975836 XCQRHHHIPRYGOG-XMMPIXPASA-N 477.511 5.258 30 20 JKED Cc1cc(N2CCSCC2)ccc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 497515103 CJDRKHGDCFCOBS-KRWDZBQOSA-N 454.665 5.189 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501482701 UCWDGCZBDIQJAC-UHFFFAOYSA-N 471.538 5.799 30 20 JKED CN(Cc1cccc(F)c1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502919514 MHSPUVGLPQXEDI-UHFFFAOYSA-N 480.771 5.370 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)oc12 503209885 VTMBCBNNRIXBKF-GOSISDBHSA-N 499.592 5.925 30 20 JKED COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)c1C 503262897 AABLHQUFUJILDA-UHFFFAOYSA-N 499.615 5.499 30 20 JKED N#Cc1ccc(CN[C@H](c2ccc(F)cc2)c2ccccc2I)c(F)c1 504218800 LTCGINRRGOWUSO-OAQYLSRUSA-N 460.265 5.320 30 20 JKED C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 506293791 HGNAIELIVIQOCX-BWKNWUBXSA-N 454.574 5.289 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1cccc(C)c1 510513272 RIUKBVPZGWVKJJ-FQEVSTJZSA-N 474.552 6.214 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 510675491 QOWXTXDYOQKPAG-NRFANRHFSA-N 478.552 6.516 30 20 JKED C[C@H](NC(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(C#N)cc1 511560718 NGQIOGOEEXZJTF-HNNXBMFYSA-N 484.375 5.036 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCc3c(C)noc3C)n2)cc1 512493300 GTTWQBUVYZYXQO-HXUWFJFHSA-N 459.527 5.493 30 20 JKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 514547612 YSGZTLDEAJSUHA-VWLOTQADSA-N 455.558 5.369 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 515677543 IEVKYOALYHPXLE-UHFFFAOYSA-N 452.605 5.823 30 20 JKED COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515736709 QJCLGMMCJIPXQJ-CQSZACIVSA-N 466.881 5.360 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)cc1 518516456 DKXHYNFABTYHHV-DEOSSOPVSA-N 460.518 5.623 30 20 JKED COCc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)sc2cccc(F)c12 519127508 DDBRCSDAFACMNK-JOCHJYFZSA-N 460.530 5.760 30 20 JKED CCOc1ccc2nc(-c3ccc(NC(=O)C(=O)N[C@H](C)c4ccc(C#N)cc4)cc3)sc2c1 520432668 HZQIHLKMIBIZGQ-MRXNPFEDSA-N 470.554 5.050 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1NS(C)(=O)=O 520612100 CUPXHXAQYAOURB-HNNXBMFYSA-N 484.965 5.258 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccccc1OC 520814819 NDXGVTADXRBZPQ-INIZCTEOSA-N 467.620 5.099 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](C#N)c4cccc(Cl)c4Cl)cc3)o2)c1 520889951 XWPPDSGYKYGGQL-HXUWFJFHSA-N 463.324 6.014 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccccc1SCCC#N 521717006 PZBBBPLKBORSMT-UHFFFAOYSA-N 472.492 5.335 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2ccccc2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 521811818 VQQBTVMSKCDNQP-FQEVSTJZSA-N 454.534 5.022 30 20 JKED C=CCn1c(SCC(=O)NCCc2csc(C(C)C)n2)nnc1-c1ccc(Cl)cc1Cl 522550313 TUOALSQQORADRL-UHFFFAOYSA-N 496.489 5.469 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 523193501 OOQXIFFUTMZUPS-UIOOFZCWSA-N 461.512 5.469 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524412296 YKKSKWUCWCHKTH-UHFFFAOYSA-N 470.960 5.905 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 553301653 LBBMGQQQNQJQMC-FQEVSTJZSA-N 499.665 5.841 30 20 JKED Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2ccc(Br)cc2)n(Cc2ccco2)c1C 555655602 JKXYLRLDTZEZNF-QFIPXVFZSA-N 481.394 5.156 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Cl 603759109 UMAUEALXLGDXPO-RUZDIDTESA-N 491.934 6.048 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 603901908 UWEIHVAACWCQKR-UHFFFAOYSA-N 476.444 5.067 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 608797841 IDCRXMFZDJCDNB-UHFFFAOYSA-N 498.514 5.174 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609067057 ROTPNVLOPLFDCF-LBPRGKRZSA-N 463.893 5.728 30 20 JKED CC(C)(C)c1csc(CCNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 609256077 MOBPZZYLZOGMDG-LJQANCHMSA-N 481.021 5.047 30 20 JKED C[C@H]1CN(Cc2ccc(CNCc3cccc(OCc4ccccc4C#N)c3)cc2)C[C@@H](C)O1 609432846 VOMDLCDXDHHHPH-ZRZAMGCNSA-N 455.602 5.036 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 609435568 XYJILQXRSQNERZ-HXUWFJFHSA-N 482.613 5.709 30 20 JKED O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(C#Cc2ccccc2)cc1 612456572 YYXIKQQHGQVGGI-UHFFFAOYSA-N 450.460 5.194 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(OCC)c2)c1 614947542 ZXGYICNGMQEIKI-UHFFFAOYSA-N 470.978 5.372 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CC)c2ccc(Cl)cc2)nnc1-c1ccccc1OC 617988536 GSQQLVUAODGXPN-IBGZPJMESA-N 456.999 5.153 30 20 JKED C=CCn1c(Sc2nc(C)nc3sc(C(=O)OCC)c(C)c23)nnc1-c1ccccc1OC 619683240 QMFGHQFUCYQJIS-UHFFFAOYSA-N 481.603 5.089 30 20 JKED COc1cc(CCC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 624083160 WARKWZCYRMBJAE-CHWSQXEVSA-N 481.355 5.158 30 20 JKED C=CCN(C(=O)CCc1c(C)nc(C)nc1O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 680488011 DCPWZQJZTACBAH-UHFFFAOYSA-N 463.390 5.381 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S/C1=N/CCc1ccccn1 726109616 OQZSQLMIFGWOSG-QXOGVRMXSA-N 499.851 5.323 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2Br)n1C 726317855 FFNFPQGYVNJRLT-QGZVFWFLSA-N 460.331 5.450 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 726393170 MZCSGGVYUISZSY-FDDCHVKYSA-N 461.587 5.225 30 20 JKED O=C(C[C@@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 726398072 AJSCSNFHLHLNES-MEBSMRGJSA-N 489.441 5.097 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](c2ccccc2)C2CC2)cc1 726409471 BDVIQZPTGHTCHK-UKILVPOCSA-N 477.630 5.225 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CCCC1)c1cccs1 726420906 JVTUJDDJMBBOTL-KHANYUJCSA-N 463.575 5.359 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccccc3)C2=O)cc1 726422270 WARSLCZMZHBCDL-XVHSCOHDSA-N 491.638 5.541 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2ccccc2CC)c1 726573867 UOXTZKMUUBDKDE-UHFFFAOYSA-O 454.402 6.148 30 20 JKED CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726626454 GXGXFAWHYAQJET-CAOOACKPSA-N 465.383 5.678 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccccc1OC(F)F 728062044 HGCLVZAVTMKJIO-HNNXBMFYSA-N 471.891 5.831 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccsc1 728420919 KELOQQASPGMHRR-NRFANRHFSA-N 460.584 5.089 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1CCCCC#N 728779107 HFKBLBVTXJHCJH-OAQYLSRUSA-N 485.009 5.311 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3scnc3C)C2=O)c1 729144718 YARSYOGDJFRRRC-OAQYLSRUSA-N 492.670 5.846 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc(F)ccc2F)C1=O 729634839 VCWWBWUSJHROOY-JOCHJYFZSA-N 499.514 5.273 30 20 JKED N#C[C@@H](C(=O)CCc1cc(Br)cs1)c1nc(-c2c(F)cccc2F)cs1 730694123 KLOXUCIIODWUJM-LBPRGKRZSA-N 453.333 5.721 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1Cc1cocn1 730709030 MMEZYGSKSDFHDV-SFHVURJKSA-N 489.384 5.450 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 730903937 PVRWMOOSJMTKRC-HSZRJFAPSA-N 469.463 5.320 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 731059527 CVOCXMQOWIEBSI-QGZVFWFLSA-N 458.539 5.358 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c3ccccc3n(C)c2s1 731064070 QDGMNSNMKRCUMJ-OAHLLOKOSA-N 463.584 5.583 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2cccc(Cl)c2)n1 731068772 FCGCDXCVANCSFR-CQSZACIVSA-N 471.991 5.653 30 20 JKED COc1ccc2cc(/C=C\C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2c1 731069289 IURCFDDBNXZEIF-QCSXQHJISA-N 460.555 5.295 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731116900 KCFUVIWVWHNRPN-IIDMSEBBSA-N 470.429 5.190 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1F 743525451 QHOOPXLCAZDXRY-QGZVFWFLSA-N 453.461 5.133 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(C3CC3)C2=O)c(OC)c1 745989676 ZAOVNPMEJGDBSP-FQEVSTJZSA-N 488.009 5.097 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(-c2ccccc2OC)c1=S 746050333 AGYQBGOBTTYTDU-UHFFFAOYSA-N 491.642 5.118 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747257654 DVOCBFGYWBXZJU-UHFFFAOYSA-N 480.760 5.366 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1 747602254 KECWCESTPPIELF-OAQYLSRUSA-N 499.061 5.828 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1cc(F)cc(F)c1 748579862 AEDMNSPMAVFBGX-QHCPKHFHSA-N 490.535 5.039 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cccs2)C1=O)NC1CC1 750911411 QCKUFQAQADLOSJ-JOCHJYFZSA-N 461.612 5.216 30 20 JKED COc1ccccc1/C=C(/C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccccc1 789851935 BTOLYADXMDIBGJ-HKOYGPOVSA-N 464.521 5.530 30 20 JKED CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3ccc(Br)cc3)s2)cs1 797156139 ATFNIKWNKMAPGB-CMDGGOBGSA-N 461.406 5.903 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1OC 838510565 QKFPYSIZOUZMTE-DEOSSOPVSA-N 491.613 5.235 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2CC 841967370 APZAJHCZEUHRNS-UHFFFAOYSA-N 472.570 5.192 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)N[C@@H](C)c3cccc4ccccc34)nc(O)c2C#N)cc1 857991389 JGCVQBUADIYBGX-IRXDYDNUSA-N 484.581 5.241 30 20 JKED CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NCc3cc(C#N)ccc3Br)cc2)C1 864033974 PJQUNQOSFGLYGS-NRFANRHFSA-N 472.383 5.241 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)c1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2)cs1 915101055 BPJYWOCRUCYVOT-QGZVFWFLSA-N 459.905 5.128 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104255 NYTKWQQUWNMBLH-INIZCTEOSA-N 494.585 6.439 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 916204671 CQUHKJGOZPQHLV-GOSISDBHSA-N 467.488 5.605 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1F 916205548 PLDNVYYBVBOPRB-FQEVSTJZSA-N 486.931 5.174 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccccn1 916215136 DLVCRXCTKHDADZ-OAQYLSRUSA-N 464.978 5.204 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CC2)C1=O)Nc1ccc(F)cc1F 916217493 OETPUUOCBQRQNR-QGZVFWFLSA-N 470.328 5.394 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cs1 916267079 YLAOAQWOESKIEW-UHFFFAOYSA-N 480.593 6.151 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1[C@H](C)c1ccccc1 916887141 LBPCGNHBMOGYQM-OPAMFIHVSA-N 467.541 5.990 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccccc3Br)cc2)c1 916897505 NARFZJDFZWWWDI-FQEVSTJZSA-N 463.331 5.298 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)c1 916897854 UBLWTNRBNBVRSM-OAQYLSRUSA-N 490.357 5.279 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2c3ccccc3n(C)c2s1 916902677 INIPNRCOHIQKAP-HNNXBMFYSA-N 451.935 5.325 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 916950875 WIBUIUCUAQCFMT-HXOBKFHXSA-N 471.532 5.861 30 20 JKED COc1ccc(-n2c(C)nnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977226 NJLAUZVVGGRJNU-IBGZPJMESA-N 496.017 5.330 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997858 YZSNHBDXOLFQMK-DNVCBOLYSA-N 499.423 6.237 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2cc(Cl)ccc2s1 917045963 DSNGDIWBNARYMX-WMLDXEAASA-N 458.370 5.332 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1 917504806 GXMMFOURZARLJL-IBGZPJMESA-N 481.599 5.071 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2)n1 917673539 NXUQDWOSNVLOQU-DEOSSOPVSA-N 481.581 5.099 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccsc1 917695121 RMJXEXYMUAAVJP-HXUWFJFHSA-N 469.563 5.056 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccccn2)C1=O 917702198 CJYVOIWOXYSKCV-QFIPXVFZSA-N 489.988 5.076 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918298413 RDYBJYSDDYPIQQ-HXUWFJFHSA-N 452.341 5.246 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 918714380 UCNBHSKAOFYDMR-DHZHZOJOSA-N 469.488 6.038 30 20 JKED N#C[C@@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920108993 CHWOJTOXTRIZLO-SFHVURJKSA-N 491.827 6.695 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2C#N)no1 920359654 PUTCLVRRBGAHAO-DEOSSOPVSA-N 495.564 5.168 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)cs1 920481087 VQXHNEXJNUCJET-WDZFZDKYSA-N 464.440 5.804 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1OC 920751055 PMRCSBWNDJBARO-ULJHPHNHSA-N 453.542 5.066 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806420 KWFJNJJYSLSEFO-PWSUYJOCSA-N 480.323 5.390 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 920867458 RXVYDWLTTUJFCQ-SBUREZEXSA-N 479.577 5.222 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C[C@@H]21 1783540225 TXQCCETXHOFNOQ-PMVMPFDFSA-N 494.598 5.000 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4scnc4C4CC4)CCC3)cc2)cc1 1785796251 VTBZSCPPJWXERR-UHFFFAOYSA-N 470.598 5.273 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3(F)CCCCC3)CCC2)cc1 1786546295 OSPUXULGKNZSCP-OAQYLSRUSA-N 487.616 5.262 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1786679281 XXWSURPGVHIGKX-UHFFFAOYSA-N 485.609 6.095 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C)cc2)CCC1)NC(=O)OC(C)(C)C 1787345183 KBPUMNKCOQWVKY-JOCHJYFZSA-N 495.620 5.504 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1787658874 CQHAFBBIMZHSNK-NRFANRHFSA-N 471.642 5.416 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)n3)cc2)CCC1 1789747845 ISRYCOJJTLKULC-UHFFFAOYSA-N 453.411 5.060 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)c1Cl 1790083444 HHYZUVJSHUDBQN-VWLOTQADSA-N 469.919 5.705 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1 1790205038 RXQZVCASOOPASN-LJQANCHMSA-N 487.984 5.150 30 20 JKED CCn1nc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)c2ccccc21 1790520741 LAEVVBIXGIIWRC-UHFFFAOYSA-N 495.558 5.057 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)c(F)cc4F)cc3)CCC2)cc1 1790636086 QZNVYWOLJLSYAD-UHFFFAOYSA-N 463.459 5.231 30 20 JKED COc1cc(C)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790707814 PRWPNYIEQAGKFX-UHFFFAOYSA-N 453.542 5.131 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc4sccc4c3O)cc2)CCC1 1790933209 KJCGRQOMHNFYCH-UHFFFAOYSA-N 497.576 5.305 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4nc3Cl)CCC2)cc1 1791577114 LQFSHFSKULERRW-GFCCVEGCSA-N 475.948 5.232 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OC)c3Cl)CCC2)cc1 1791726549 XPIUPQMQVRSRFJ-UHFFFAOYSA-N 468.981 5.299 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1 1792240464 FYPGUSMHGDCDBP-UHFFFAOYSA-N 482.515 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3cccc(C(F)(F)F)c3)[nH]n1)C2 1798591823 UCFBPDCFYORSRM-ACDBMABISA-N 488.554 5.340 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(Cl)c2)c1Cl 1799623486 HQIYZVGWJRBSLG-MUJYYYPQSA-N 462.764 5.084 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1803094009 ZBEZGLHPYFVIFC-URXFXBBRSA-N 485.550 5.497 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803222540 PLHFADJFBYCRHM-WHOLLPIFSA-N 466.025 5.291 30 20 JKED Cc1csc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1804535447 TYCKYGQOSWONKY-PPNCUWOSSA-N 486.641 5.031 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3occc3NC(=O)OC(C)(C)C)CC2)C1 1804865299 MHMXUBIMUNLORN-UHFFFAOYSA-N 487.641 5.464 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1810177217 CJLHFHFMYHICPM-ZTCOLXNVSA-N 451.998 5.131 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3cccnc23)[C@H]1c1cccnc1 1810272561 PTZOULAUBSKGFD-YWEHKCAJSA-N 498.703 5.001 30 20 JKED CC1(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CCCCC1 1810277336 OZLULCLNINCJRP-ZCYQVOJMSA-N 467.730 5.109 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3ccncc3-c3cccc(C)c3)C2)CC1 1810339577 KRDXYSXSBSTJMQ-UHFFFAOYSA-N 471.645 5.670 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1810499685 HCELYRULZMRKFK-AZGAKELHSA-N 470.617 5.250 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811852770 APZGVQOBBLBYIX-RBBKRZOGSA-N 473.539 5.412 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)cc1 1811954159 WGTARWGLXCVEFG-SGHYXFRMSA-N 487.625 5.025 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@@H]1c1cccnc1 1812955818 DVKWDFZUDPBAIY-CPJSRVTESA-N 498.454 5.320 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1813228622 DETCTSQYGBDYNX-HFZDXXHNSA-N 486.443 5.221 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)[nH]n1 1814829189 BVIXMBRENCPZIR-DEOSSOPVSA-N 477.584 5.423 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938107 CTSUNNGGLWZBEY-XJUOHMSHSA-N 487.044 5.068 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815218402 IIUWAKNWGDPZRZ-FRGLQRNOSA-N 473.017 5.086 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[nH]n2)CC1 1817111157 FCZJHYIEIVRQGW-HXUWFJFHSA-N 484.585 5.229 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)C(C)(C)C#N)[nH]n3)c2c1 1817711668 ZCQZVKALWZXYQV-HXUWFJFHSA-N 491.592 5.219 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)c1 1817739936 FIHMRVOZAOXCDZ-AREMUKBSSA-N 490.567 5.272 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971918 WVPHEAJJOVMPGJ-JOCHJYFZSA-N 463.969 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)[nH]n1 1819305696 NSNNQPPHADRJAF-WIYYLYMNSA-N 476.606 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)[nH]n1 1819306104 WXEQMCHZXUMDBN-ZJSXRUAMSA-N 457.578 5.341 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)[nH]n1 1819307208 QACFKRPYVQIJHN-DENIHFKCSA-N 459.550 5.139 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)n[nH]1 1820206176 KRYLQZKDKIINFE-OAQYLSRUSA-N 487.526 5.696 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(OCC3CC3)c2)n[nH]1 1821233905 PLGBRJHRQIPZLC-JOCHJYFZSA-N 494.636 5.505 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3sccc3c2O)n[nH]1 1821503401 DKNWLBSUWCVOAI-HXUWFJFHSA-N 464.591 5.404 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821611122 HOJJFFZZDBEESE-QHCPKHFHSA-N 468.557 5.809 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)c(C(F)(F)F)c2)n[nH]1 1821861299 OKTKKFHUQKDCMN-AUUYWEPGSA-N 466.479 5.015 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1821929687 YHOPYBOWVZMGIG-ACJLOTCBSA-N 452.452 5.086 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1822581431 RROBHOZQNCJSEB-JOCHJYFZSA-N 486.657 5.278 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)[nH]n2)c1 1823210883 JQMCDEQCXSVWCA-MWTRTKDXSA-N 493.970 5.378 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c1 1823212815 WNQJCJJIVVXLLF-YMQRMYCASA-N 492.583 5.537 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)cc1 1823683285 KCUBVUOFVFGJTI-HSZRJFAPSA-N 499.442 5.126 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1823752095 LJWDAKREYNDFHD-RUZDIDTESA-N 465.638 5.402 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)CC2)c1 1823782734 QKYHYPZMNXLOGO-AMGIVPHBSA-N 469.629 5.279 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1823814084 MDBLAPHBXHOJQF-URORMMCBSA-N 463.666 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(=O)c2ccc(Cl)cc2)CC1 1824162753 LPWFWRMTIMHCRT-JOCHJYFZSA-N 459.030 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(O)cc3)CC2)CC1 1824222903 NOSPTQIJCICHHT-XMMPIXPASA-N 452.639 5.036 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1824541714 JHTFLZGIWIFVKZ-WOJBJXKFSA-N 496.599 5.055 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)CC2)c(Cl)c1 1824861049 QYWHANHPXIYFCZ-ZEQRLZLVSA-N 467.972 5.156 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2Cl)CC1 1824879508 BRRQQPKPLDKQKW-VWNXMTODSA-N 461.021 5.410 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)n1 1825386640 WTVRXOFEGOMBLR-HSZRJFAPSA-N 487.786 5.551 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826679660 IPWVNXAWYYEKLS-KRWDZBQOSA-N 468.413 5.030 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Br)c4ccccc4c3)CC2)CC1 1826681295 WHEGHAKBHZXYPJ-QHCPKHFHSA-N 494.433 5.139 30 20 JKED CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)cc1 1827328971 QSTRKHZYWSKNMR-HSZRJFAPSA-N 498.549 5.082 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)CC2)cc1 1828166286 JHMZQVXITGTRNQ-RUZDIDTESA-N 487.003 5.307 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1828401735 UFSRBWXSOSPLIK-PFBJBMPXSA-N 490.047 5.443 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccc(Br)cc3n2)CC1 1828702285 UNJPJLKOFUKFEE-XMMPIXPASA-N 496.449 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1828824410 JTXJNVKIMDUQKR-SQHAQQRYSA-N 461.650 5.489 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1828827541 OXRAPXPOLOSOFX-CELHTLPISA-N 489.660 5.578 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 1829068684 KKMBOKKRVJAYDP-NRFANRHFSA-N 491.470 5.380 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)cc3)CC2)cc1 1829785102 GTJQKPNXYRLIIJ-HHHXNRCGSA-N 496.586 5.306 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)ccc1F 1830360382 FMPQGVUEOKKNBT-GLNMAXCKSA-N 499.586 5.319 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cc4ccc(F)cc4)c3)CC2)c1 1830451098 WNDKRXTWIDBUBW-MUUNZHRXSA-N 498.602 5.163 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830532009 NDJRRZNJCXWNJL-WOJBJXKFSA-N 474.564 5.032 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc(C(F)(F)F)c1 1830755102 PXICUEQVAQQQTB-OFNKIYASSA-N 473.539 5.167 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)CC1 1831293990 SUCPEBMNMKFKAO-HSZRJFAPSA-N 475.073 5.503 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1831374399 DHZZMDJCBJJVRZ-HJPURHCSSA-N 489.994 5.612 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)cc2C)CC1 1831447520 WHERNPRDVBPGQP-FQEVSTJZSA-N 483.397 5.202 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1)C(F)(F)F 1831455452 RTFBRZLXIQSJKW-SQUSKLHYSA-N 499.371 5.201 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1)c1ccc(O)cc1 1831924605 SCEMWVAVQRIDNT-ABYGYWHVSA-N 497.639 5.304 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1832034750 UTLTZNHEMFLXMF-AREMUKBSSA-N 470.613 6.013 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1)c1ccccc1 1832198671 RNYGCJZXNVKEIL-SVZKLPPYSA-N 483.656 5.302 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc(F)c1F 1832635853 WCQXGRIXMGXVKB-BVZFJXPGSA-N 479.571 5.447 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1Cl 1832654848 GXPYCWIQHDSTHR-VWLOTQADSA-N 494.035 5.086 30 20 JKED Cc1[nH]c2cc(F)c(-c3cnc(C(C)(C)O)nc3)nc2c(=N[C@H](C)c2cc(C#N)ccc2F)c1Cl 1857792613 UDLNDXDUOBMZIQ-GFCCVEGCSA-N 494.933 5.021 30 20 JKED COc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2ccccc2)cc1Cl 9023519 OCBPSJZYEKWORX-UHFFFAOYSA-N 481.990 5.260 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10180000 WLNNDNBCCWSYDS-UHFFFAOYSA-O 453.609 5.037 30 20 JKED C=CCN(C(=O)CSc1nncn1C1CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 10649332 DAQCZRJKBHAKBQ-UHFFFAOYSA-N 466.419 5.355 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2ccccc2C)cc1 11169099 SMXRIBDUBWXIPQ-UHFFFAOYSA-O 478.638 5.408 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SC[C@@H](O)COc3ccc(C#N)cc3)n2Cc2ccco2)cc1 11811750 NLULIIRBTCTFSH-QFIPXVFZSA-N 488.613 5.288 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2ccccc2OC)nc2scc(-c3ccccc3)c2c1=O 16715369 XNPSEMRAYMDGSZ-QGZVFWFLSA-N 491.638 5.117 30 20 JKED COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc(C)cc(C(F)(F)F)c1C#N)c1ccccc1 21514674 ARAJWSRQCTXLCV-NRFANRHFSA-N 471.504 6.070 30 20 JKED Cc1cccc(-n2c(SCC(=O)NC3(C#N)CCCCC3)nnc2-c2c[nH]c3ccccc23)c1 22117250 XATGKXJLSNEXIC-UHFFFAOYSA-N 470.602 5.159 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nnc1-c1ccco1 23202014 WUMUKOJTCAHCOZ-UHFFFAOYSA-N 465.604 5.774 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccccc4SCC#N)c23)cc1 24713036 ORRZZOCTGNAKBW-UHFFFAOYSA-N 462.625 6.013 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1C#N 28491830 VNMATKZBOLRSLN-OAHLLOKOSA-N 493.585 5.168 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)cc1C 28649142 LXYWWOQNDACIML-UHFFFAOYSA-O 475.634 5.711 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 31776916 GGTRNRQXFYUSHE-UHFFFAOYSA-N 481.346 5.559 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 36802353 OHIKFKYRHQZBKX-UHFFFAOYSA-N 487.334 6.188 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 60058714 AUXVYXMTQVAVGB-UHFFFAOYSA-N 455.514 5.966 30 20 JKED Cc1csc(Sc2ccc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)cc2Cl)n1 72086922 SMEITFVBWWRFKB-UHFFFAOYSA-N 483.022 5.359 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)C2)cc1 108740073 PCUNAXAIPKCNNM-AREMUKBSSA-N 469.560 5.087 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1 255741096 OBPSLSRKLSMLDJ-OAQYLSRUSA-N 469.513 5.335 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(OC)cc1 255933401 LIOHNXVLTGYPSX-ZDUSSCGKSA-N 463.390 5.566 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 303208925 QHCWGCZANBQDGB-GOTSBHOMSA-N 498.627 5.377 30 20 JKED C=CCc1cc(CNC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc(OC)c1OC 497338105 LTKVYBZNWZVGFU-UHFFFAOYSA-N 493.448 5.239 30 20 JKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCO[C@@H](c2cccc(Br)c2)C1 500567306 HNWZVONRLZKQJZ-LJQANCHMSA-N 460.278 5.048 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12 501146469 XQPSKIMUWZBFKV-UHFFFAOYSA-N 454.505 5.144 30 20 JKED CCN(CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)[C@@H](C)c1ccc(C#N)cc1 505790027 KBPYTSURIFFGJB-FQEVSTJZSA-N 470.573 5.231 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)NCCC(c1ccccc1)c1ccccc1 511082862 PLSQHNXZNDRLPA-UHFFFAOYSA-N 462.553 5.496 30 20 JKED CC(C)N(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(Br)cn1 512308495 GKSJVXHILUBPJJ-UHFFFAOYSA-N 450.336 5.350 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Br)cc1 513659144 CWSIVOFBLCRXKF-GOSISDBHSA-N 473.330 5.376 30 20 JKED CCc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)[nH]c(C)c1C(C)=O 516526409 SHGWPNYYFDETOD-UHFFFAOYSA-N 460.481 5.278 30 20 JKED COc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 518151701 QKRIRWLRBPTBRF-MHZLTWQESA-N 477.520 5.203 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OCC(C)C 518253182 WLGQHESFAUWPKY-IBGZPJMESA-N 487.556 5.210 30 20 JKED C=CCN(C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 518255184 IKZXHSQFKXVYIY-FQEVSTJZSA-N 496.575 5.396 30 20 JKED COc1cc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OC(C)C 518804521 JWMADLNCYINYGV-LJQANCHMSA-N 460.599 6.137 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1nnc2n1CCCCC2 519899593 WDHOIDZROKDSSC-QGZVFWFLSA-N 469.314 5.188 30 20 JKED Cc1[nH]c2ccc(CNC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2c1C 520487170 KMXHCBSMZDXHSS-HSZRJFAPSA-N 470.960 5.349 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 523277383 DEIKAKPGQLGWSN-QFIPXVFZSA-N 482.515 5.346 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C(F)(F)F)c1 553337816 WAXADBSLUPNZLK-OXQOHEQNSA-N 477.552 5.942 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3noc(-c4cccs4)n3)cc2Cl)cc1 563727410 ZJNULOHBTSGQLK-UHFFFAOYSA-N 451.895 5.437 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1Cl 589939168 WJTQIOXXHJLTNK-UHFFFAOYSA-N 495.395 5.629 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCC(=O)Nc2ccccc2C#N)c(C)c1 589939871 ICQMEAFZZPDEKV-UHFFFAOYSA-N 467.598 5.468 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 604257652 JXNGZZSMURLBCJ-ROUUACIJSA-N 456.386 5.340 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)c1c(F)cccc1F 608932608 QLJVZJHRHVOUSB-IFXJQAMLSA-N 459.562 5.255 30 20 JKED N#Cc1ccc(N2CCC(NCc3ccc(-c4cccc(Br)c4)s3)CC2)nc1 608983199 OUJUDBHVEFLRLN-UHFFFAOYSA-N 453.409 5.203 30 20 JKED CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062563 VPWINZYHPGELRO-DEOSSOPVSA-N 497.929 5.462 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(-n2cncn2)cc1 609079575 CSDHXAGUYMPRCS-QGZVFWFLSA-N 472.936 5.254 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)s2)cc1 609357144 RTGFVCALPYQHIB-KRWDZBQOSA-N 497.580 5.302 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2SCCC#N)s1 609375904 JVGUHRFHIPIWPI-UHFFFAOYSA-N 492.651 6.264 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(OC(F)F)cc1 609400916 DUIJNHMEAQWDNL-LBPRGKRZSA-N 487.450 5.128 30 20 JKED CN1C/C(=C/c2cccc(OCc3ccccc3C#N)c2)c2nc3ccccc3c(C(=O)O)c2C1 609424841 ZIYRCZMQKGSOJF-XKZIYDEJSA-N 461.521 5.370 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]2c2ccccc2)c1 613780413 UXCKMGAYHMJKTP-HSZRJFAPSA-N 466.990 5.309 30 20 JKED Cc1ccc(-n2ncc(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2C(F)(F)F)cc1 618301317 NHVXWPMGOYFEOT-RYUDHWBXSA-N 473.339 5.402 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1[C@@H]1COc2ccccc2O1 639394446 MUVUFTJYGIPZGF-XZOQPEGZSA-N 478.618 5.349 30 20 JKED C=CCn1c(S[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)nnc1-c1cccc(C)c1 639428705 YILXEDKHVFUIOV-GGAORHGYSA-N 462.619 5.196 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)nn2-c2ccccc2F)nnc1-c1ccc(Cl)cc1 642213069 MOJZHLUDLXBTFA-UHFFFAOYSA-N 482.972 5.149 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 642282187 RYVICYZJPRKROD-HNNXBMFYSA-N 471.485 6.119 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1SCc1ccc(F)cc1 643160314 KAUPZZGLKCAWIZ-ZIAGYGMSSA-N 480.449 6.152 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2Cc2ccccc2)nnc1-c1ccc(Cl)cc1 645082578 WRERQOQSBLATDZ-OAQYLSRUSA-N 453.011 5.110 30 20 JKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C 663579136 VTXBNPJHPVOYTG-CQSZACIVSA-N 462.040 5.221 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc([C@@H]3C[C@H]3C)o2)cn1 726114072 USVARTOWOUHAQD-ODOSVJCGSA-N 491.617 5.088 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCC2=CCCCC2)cn1 726114521 XEUYSIHVEDFMJX-QFIPXVFZSA-N 465.623 5.062 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1Cl 726408226 YAKQBNTUXBXHDG-SFHVURJKSA-N 492.910 5.353 30 20 JKED Cc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1S(=O)(=O)Nc1ccccc1Cl 726436428 RTOMSYTXDOFZGN-UHFFFAOYSA-N 491.425 5.783 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727628948 YSYUXUNLKNRFTH-KRWDZBQOSA-N 486.569 5.175 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CCC2)ccc1Cl 728191641 LDWBCYPHTCYVPE-QFIPXVFZSA-N 459.011 5.126 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(Br)cc3F)cc2F)c1 728200401 CBCCASQZIXJLRB-UHFFFAOYSA-N 472.289 5.229 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 728420646 HKAVHZXCZSMPQH-XMMPIXPASA-N 497.555 5.339 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 728521626 GBYKTHUZMZLSHN-WIOPSUGQSA-N 475.589 5.602 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(Cl)c1 728776717 DQLJCMXUDPLBAT-QHCPKHFHSA-N 491.016 6.147 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](CC)c2nc(C)cs2)ccc1Cl 729444608 AZEVXHAOYRYTTR-FQEVSTJZSA-N 490.050 5.367 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 729574523 XZGRELNVLHLLAT-UHFFFAOYSA-N 478.362 6.155 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ncccc3C)C2=O)c1 729633505 DWMZPDMMSWVHKM-QFIPXVFZSA-N 495.004 5.213 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)C(=O)N1C1CCC1 730460935 ITRZKEMJJLSFOW-OAQYLSRUSA-N 488.009 5.178 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cnccn2)C(=O)N1[C@H](c1ccccc1)C1CC1)c1cccs1 730729138 JFTZJICKDINYGS-MFNGXEABSA-N 491.642 5.079 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1occc1CN1c2ccccc2C[C@H]1C 731079883 WRNZQHXZUPUGNP-MOPGFXCFSA-N 489.597 5.421 30 20 JKED N#C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1cccc(Cl)c1Cl 731195253 CBMFKODVPXJQEI-NHCUHLMSSA-N 451.309 5.442 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1ccccn1 731310940 SVQBIRJULDVAER-ZHRRBRCNSA-N 495.004 5.471 30 20 JKED CCOc1ccc(-n2c(-c3ccc(Br)cc3)nn(CN3CCC(C#N)CC3)c2=S)cc1 747078742 ASDOUVNILXHLGL-UHFFFAOYSA-N 498.450 5.425 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(OC(F)F)c(OC)c1)C(=O)c1ccccc1 747150302 NXDZNQJXEQLRDB-CJLVFECKSA-N 479.523 6.326 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 747588287 GDSNSKMFZAPFHD-UHFFFAOYSA-N 464.971 5.170 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(CCc3nccs3)C2=O)cc1 747600239 ODORSTKMHDOQGU-OAQYLSRUSA-N 478.643 5.271 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCc1nccs1 747601099 DVASQVKIRSOVOC-HXUWFJFHSA-N 482.606 5.048 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cscn2)c1 747601462 HEOLLXUEHPWSEZ-HSZRJFAPSA-N 486.622 5.765 30 20 JKED CCCc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)nn1-c1ccccc1Cl 749048734 NSSCLWSWEXYNPJ-APWZRJJASA-N 463.969 5.348 30 20 JKED CN1CCN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2Cl)CC1 749227091 WSBHYIOXTDYZQQ-UHFFFAOYSA-N 477.033 5.508 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c2ccccc21 797682405 NZQZPCMAKSJSDE-UHFFFAOYSA-N 470.912 5.479 30 20 JKED N#Cc1ccc(N2CC[C@H](OC(=O)c3c4c(nc5ccccc35)/C(=C\c3ccco3)CC4)C2=O)cc1 812491468 UIWQFGQPNHVRJK-MGIPWVDBSA-N 475.504 5.149 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)nnc1-c1ccncc1 824963574 QXMPNFWVVYXTCE-LJQANCHMSA-N 457.603 5.529 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 837397881 LPHARLTZRWKXFG-CYFREDJKSA-N 488.613 5.510 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 837533823 WMCQDXJBKLTPRU-KKSFZXQISA-N 498.530 5.822 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 837639988 UHCSIZSPHZSRKB-XXBNENTESA-N 458.587 5.420 30 20 JKED CC(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2)CC1 837882858 RVIYMLVDPRHGNG-JOCHJYFZSA-N 485.053 5.173 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3cccnc3)C2=O)cc1 838236713 YMTGZKSMPSTNGG-JPYJTQIMSA-N 476.577 5.559 30 20 JKED COc1ccc(/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)Nc2cccc(C#N)c2)cc1OC 875952731 CFWMTHFIDHUEDR-NDENLUEZSA-N 480.467 5.365 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 893673816 QXFOULIMZHDANV-UHFFFAOYSA-N 479.414 5.707 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)Cc2cccs2)c1 914690812 FVYJIPXVOLBVAN-WZONZLPQSA-N 493.654 5.026 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@@H]2CCCC[C@H]21 915187780 ZVKHKSQQUYUTDH-QZQBRAAYSA-N 493.607 5.763 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915199618 ICIVLEUMHNBOLJ-RUZDIDTESA-N 467.598 5.777 30 20 JKED CN(CCOc1ccc(Br)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915353694 WBLJWNUPMXTFLL-HSZRJFAPSA-N 464.363 5.647 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccccn2)C1=O 916205628 IHMPZDGGWPTLRT-QFIPXVFZSA-N 495.004 5.213 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CCCO2)C1=O 916212912 UHYBNVMSHSTFRQ-PXNSSMCTSA-N 492.428 5.441 30 20 JKED Cc1nc(SCC(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c(C#N)c(C)c1C 916538055 RSPCOIJFKPXWPD-UHFFFAOYSA-N 475.595 5.343 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 916906050 BENPMBUHDGIYDR-XMMPIXPASA-N 497.551 5.175 30 20 JKED CCn1c2ccccc2c2cc(C=Nn3c(SCC(=O)O)nnc3-c3ccoc3C)ccc21 917032898 WLRZYUQAPPNFBF-UHFFFAOYSA-N 459.531 5.033 30 20 JKED N#C[C@@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 917044257 QCUJPEKKVUMDEL-AWEZNQCLSA-N 465.294 5.986 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)s2)n1 920109566 RDDQKVWJZMOXPY-JTQLQIEISA-N 466.371 5.457 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c1C 920353800 SAFDKHRVCTWARY-QFIPXVFZSA-N 498.555 5.347 30 20 JKED Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cccc(OCc4ccccc4C#N)c3)cs2)cc1 920635588 IZAJIYGPVLXKTI-UHFFFAOYSA-N 497.576 5.440 30 20 JKED N#C[C@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 920875178 QUQALZOAHMWIPY-JOCHJYFZSA-N 485.540 5.555 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](c1ccccc1)[C@@H](C)CC)C2 1779267444 VCRQOHCVRUAMCS-TYCSFBGJSA-N 466.666 5.099 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c3ccccc3n3ccsc23)C1 1780004179 HYRYXBSQRYDODE-OWDCXRFMSA-N 491.657 5.050 30 20 JKED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCCCCCCCCc3ccccc3)C2)C1 1785503759 BRWWCJWJUAYMHM-SSEXGKCCSA-N 498.708 5.163 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCCN(C(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785808682 AYWRHTSAZHKASQ-HXUWFJFHSA-N 481.637 5.124 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1)c1ccccc1 1785912237 NZAWHBROTWPGDL-QHCPKHFHSA-N 450.529 5.363 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CCCC(=O)Nc3ccccc3)cc2)CCC1 1786111849 UGUQJKHPHVZMGQ-UHFFFAOYSA-N 459.590 5.123 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)COc3cccc4ccccc34)cc2)CCC1 1786674385 FEZPNQOXQPBQPD-UHFFFAOYSA-N 472.585 5.336 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cn1 1786839236 RYMDZJMNKMYXFC-UHFFFAOYSA-N 472.976 5.296 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc(F)s3)cc2)CCC1 1786977807 IBGRYQUYUSJHBI-DHZHZOJOSA-N 454.548 5.136 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1788649356 DVZQGWGBCMROHE-DCIPZJNNSA-N 490.606 5.122 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789513379 WVAPQGYXAOMRSI-UGKGYDQZSA-N 469.626 5.122 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)c4ccco4)CCC3)cc2)c1Cl 1790082592 HBWNAOSZYSZREB-UHFFFAOYSA-N 469.875 5.344 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)CCC1 1790333683 UKRVHBYXQAZXSV-QFIPXVFZSA-N 499.558 5.182 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1790568460 YOMIQYDBVJFVSQ-QGZVFWFLSA-N 478.980 5.437 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccccc4NC(=O)OC(C)(C)C)cc3)CCC2)C1 1790691997 DVEUKFHATHTZBK-UHFFFAOYSA-N 475.589 5.748 30 20 JKED CCn1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c2ccccc21 1790706212 OKFAGRPCKRDQOM-UHFFFAOYSA-N 477.568 5.184 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C5(C(F)(F)F)N=N5)cc4)cc3)CCC2)c1 1790760393 HPKRYZCILFDAJU-UHFFFAOYSA-N 492.461 5.129 30 20 JKED COc1ncc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790766272 ROENKJXSYYJMQZ-UHFFFAOYSA-N 495.366 5.330 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)CCC1 1790810689 KTXXWBXBXLDRJQ-MRXNPFEDSA-N 480.552 5.474 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC(C)C)cc2)CCC1 1791253185 OWJJHEUEERAIBQ-OAQYLSRUSA-N 457.615 5.026 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)cc2)CCC1 1791413300 VBYQHSMZEMJYRR-GRYUFTJMSA-N 493.648 5.102 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)CCC2)cc1 1791577048 IRDSGADPNRYPIB-SFHVURJKSA-N 482.609 5.363 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3csc(C)n3)CCC2)cc1)NC(=O)OC(C)(C)C 1792203982 BWRSJLSWBKJGRA-HXUWFJFHSA-N 498.649 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(Cl)c1)C2 1798339904 GWKDYMOKAOTELV-XMTFNYHQSA-N 465.819 5.123 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ncccc12 1799154732 ZIQNOUSFTMIMKT-BKFWDETESA-N 480.612 5.317 30 20 JKED Cc1ccc2oc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(C#Cc4ccccc4)cc3)cc2n1 1800504193 PNESYIRJARXKHF-OOSCYNTBSA-N 489.575 5.102 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1802500281 LZBWIEJHNNFJBM-ILBGXUMGSA-N 477.649 5.571 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1802503128 QPYBJOADCFDALR-JYFHCDHNSA-N 493.623 5.322 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2C)[C@H]1c1cccnc1)c1ccccc1 1802703657 DEKYWBGTCNWFMB-GYGTVUFYSA-N 483.587 5.046 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1F)c1ccccc1C(F)(F)F 1803850573 CWINXPXOCMEBLC-QDMKHBRRSA-N 488.403 5.429 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(Cl)cc(OC(F)(F)F)c4)CC3)C2)C1 1804785485 GTDYJFMHIYENFI-UHFFFAOYSA-N 470.919 5.050 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)C1 1804862171 KSARSXXPWFJLBU-UHFFFAOYSA-N 452.426 5.226 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1)c1ccccc1 1804865745 ADNNJCXAECROBZ-MAARLIENSA-N 496.655 5.224 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1806060880 KJAVQGITJNJHLD-QFIPXVFZSA-N 475.054 5.399 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c(Cl)c1 1807968342 MEPFTARSROPRKZ-XMSQKQJNSA-N 490.972 5.048 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1808876927 QHZOWIPSRUXEQO-GGXMVOPNSA-N 486.660 5.198 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)CCC3CCCC3)C2)CC1)c1ccc(O)cc1 1808956892 NJASKTDEABNCBS-RUZDIDTESA-N 464.650 5.091 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)cc4)C3)CC2)c1 1809266457 INYJJWJCIHNARG-FQEVSTJZSA-N 464.009 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1810173581 JIQXQZJWGNUIMP-PUHABZHSSA-N 469.629 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1811202923 QXHPMGCOFQAXAS-LSYYVWMOSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811722367 QTMKHHJSAAVVIC-PIRIWWGTSA-N 495.623 5.962 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2cccc3ccccc23)[C@H]1c1cccnc1 1812043043 FUKONKYOJJPQGC-AYWVHJORSA-N 491.591 5.923 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812671774 LXJNXMGSAOQFTM-DVECYGJZSA-N 489.522 5.512 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1)C(F)(F)F 1812683903 WTXBYKVFOLZMEX-BKMJKUGQSA-N 495.545 5.300 30 20 JKED CC#C[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](C)CCCCC)[C@H]1c1cccnc1)c1ccc(O)cc1 1812700908 RJHLAZJVEIYDPG-QWMYHGHOSA-N 489.660 5.207 30 20 JKED Cc1cc(Cl)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1814593112 WYOAGXGFJLDZOL-YXBWYFRISA-N 482.993 5.178 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1814828882 WMUUPSAVVAVOJC-ISKFKSNPSA-N 484.044 5.127 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCC(c4ccc(Cl)cc4)CC3)n[nH]2)CC1 1814935726 PBKPWTGYBIDVRK-RKOYOZNISA-N 480.012 5.333 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1815089952 CGSHZVLTUFAGRJ-YADARESESA-N 487.629 5.087 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2coc(C(C)C)n2)n[nH]1)c1ccccc1 1816093351 XTYGIJPKHSUZGS-NZQKXSOJSA-N 473.577 5.024 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)[C@H](C)CC)n[nH]1 1816847279 LEBGHDFMNOYOSJ-ROSOWXQZSA-N 466.626 5.215 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)c(OC)cc(OC)c2F)n[nH]1 1817204092 LMYKERSZHBUISR-MRXNPFEDSA-N 490.551 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3nccc-3c2Cl)n[nH]1 1817919387 BJIMZXQTFMEXSV-GOSISDBHSA-N 468.989 5.189 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)cc1 1819029358 NNWYVFDUWGTHBX-GOSISDBHSA-N 475.599 5.372 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)[nH]n1 1819306979 KWBMEZDIVYLKGM-RADWXHQJSA-N 452.521 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)c(C(=O)O)c(C)c2)[nH]n1 1819555871 GLPIOKZOKCUDLY-FQEVSTJZSA-N 466.582 5.023 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CCc4cccc(Cl)c43)n[nH]2)c1 1821777043 RTUGZXRIUXJQDH-HTAPYJJXSA-N 491.954 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)CC1 1824424700 VLFICPMELQTXBB-STXQHDJLSA-N 464.650 5.079 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1827734412 ARZVBHYFYJGMJG-HSZRJFAPSA-N 499.030 5.092 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1828154266 BRYKTDOEROOMDF-QHCPKHFHSA-N 475.589 5.459 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828547631 YXSQYMQZBXNXJD-IBGZPJMESA-N 460.665 5.179 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(F)cc2F)CC1 1828820745 DMWRMFHPWDFSDL-QIXDEVMZSA-N 456.577 5.366 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1828827294 KRBVWDPAFBMIJD-RBZQAINGSA-N 489.701 5.068 30 20 JKED Cc1cccc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)n1 1828903825 MZAAVTUZQBIUHH-OXVFXORMSA-N 479.741 5.074 30 20 JKED Cc1cscc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828905430 QEWLBZGBINHGHG-QHCPKHFHSA-N 458.744 5.341 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2OC)CC1 1829068060 CCSRWTNSTMEKSW-DEOSSOPVSA-N 454.655 5.240 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829672914 MKGLZJPCRJETOB-SANMLTNESA-N 495.715 5.591 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)c1 1829956286 BNZGCGDEGQSTEL-MHZLTWQESA-N 491.591 6.005 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3F)CC2)c1 1829958334 GOPSAFSUSVWFSS-MHZLTWQESA-N 489.591 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 1830052339 SQYKZSQKCYGVPH-DHIUTWEWSA-N 462.556 5.707 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c(F)cccc3F)CC2)c1 1830081259 XKDHMXBJZJALEQ-NIYFSFCBSA-N 479.571 5.068 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)c1 1830718228 CWPCHKJGQFZYLK-JQYIIUTOSA-N 494.010 5.388 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c[nH]c4ccc(C)cc34)CC2)c1 1830764957 BORIPYUFLJNCPM-NDEPHWFRSA-N 482.628 5.132 30 20 JKED CC(C)CN(CC(C)C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC#N)CC1)c1ccccc1 1831208047 JSPARHPXGICXNN-XRKRLSELSA-N 494.724 5.265 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)c1 1831221727 ALXOQEUWSIPSAR-UKILVPOCSA-N 476.020 5.175 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1Cl 1832602621 ZEIYNBQCZHUSDT-RQWLHQTBSA-N 485.049 5.382 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3c(Cl)cccc3Cl)CC2)CC1 1836235078 WZQWIUKWLGABMK-UHFFFAOYSA-N 480.480 5.171 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1c(C)cc(C)cc1Cl 10178801 VLEQXZWDOVXDGS-UHFFFAOYSA-O 452.043 6.474 30 20 JKED COc1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2cccc(C(F)(F)F)c2)cc1 15236887 IZADSWURQWGXAJ-OAHLLOKOSA-N 457.481 5.497 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccnc2Cl)nc2sc(-c3ccccc3)cc2c1=O 16715726 NXICLJBNWCFOQM-CQSZACIVSA-N 483.018 5.479 30 20 JKED CCn1c(SCC(=O)Nc2sccc2C#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17126080 WPYLUJRAEZYMSF-UHFFFAOYSA-N 484.603 5.256 30 20 JKED COc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)[C@H](C#N)c1nc(C)cs1 17151857 QHJUVZDBDGMARA-SFHVURJKSA-N 460.584 5.281 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 18890548 KDKUNNQVBYLCDJ-UHFFFAOYSA-N 491.034 5.064 30 20 JKED C=CCn1c(SCC(=O)NCc2cccc(OCC)c2)nnc1-c1ccc(Cl)cc1Cl 20413014 ZPPCCGFFDUGMRP-UHFFFAOYSA-N 477.417 5.245 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22727256 JPJJPNCJGMXIGU-UHFFFAOYSA-O 469.577 5.999 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22728630 YQLOGSOHTRLEFH-UHFFFAOYSA-O 467.605 6.724 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)s1 22730169 UMDKHOGPKVFUQY-UHFFFAOYSA-O 461.588 5.893 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22800161 PNAPTVZQQFEXLS-UHFFFAOYSA-O 472.005 6.169 30 20 JKED CCN1CCN(Cc2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)CC1 58776519 GOTNSHVNGFABJI-UHFFFAOYSA-N 456.615 5.099 30 20 JKED Cc1ccc(CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@H]2CCc3ccccc32)cc1 59352281 QYBCDYYUMRMJKK-MHZLTWQESA-N 463.585 5.175 30 20 JKED CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 71907196 VRRKZQWXEYBAQE-FQEVSTJZSA-N 488.396 5.151 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)cc1Cl 108947185 INAHMBWSFPDSKB-DEOSSOPVSA-N 483.959 5.473 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 195586668 RIPHLYWVDJFKSX-UHFFFAOYSA-N 485.946 5.403 30 20 JKED C=CCn1c(-c2sc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)nc2C)n[nH]c1=S 303128399 ATAPYQVIJRAUBJ-ZDUSSCGKSA-N 453.515 5.233 30 20 JKED CCOc1ccccc1[C@H](CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)NC(C)=O 476871489 JQTQGNIFVLHKAL-VWLOTQADSA-N 473.548 5.205 30 20 JKED Cc1nc(O)cc(-c2ccc(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)n1 477790952 COSZAMTYIZIOMH-UHFFFAOYSA-N 469.476 5.391 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 485268490 DPNMDEJAVNLOAO-KRWDZBQOSA-N 481.474 5.314 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3C(=O)c3cccs3)c2)cc1 485985877 CGVTXHLJKQDQRC-UHFFFAOYSA-N 452.535 5.876 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2OCC)nnc1-c1ccc(Cl)cc1Cl 502052007 YPSCXYDPDBWOLM-UHFFFAOYSA-N 481.380 5.707 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccnc(OC3CCCCC3)c2)cc1 503059669 ZSUWQMNDNRZDOH-UHFFFAOYSA-N 470.573 5.760 30 20 JKED C=CCN(C(=O)c1csc(I)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 503103087 VOCCBHQHCHDFTL-UHFFFAOYSA-N 497.339 5.217 30 20 JKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1-c1ccc(OC)cc1 510894022 MIBINQZNTBBWRS-UHFFFAOYSA-N 456.571 5.684 30 20 JKED Cc1ccc(OCc2nnc(SCCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)o2)cc1 511907606 UAABDWHFDCRCPT-UHFFFAOYSA-N 491.573 5.009 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 513677554 YIMSGIZYJWUZIB-CQSZACIVSA-N 450.520 5.028 30 20 JKED C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514301809 XZKAQGXMBQAUFX-UHFFFAOYSA-N 488.525 5.705 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 515651467 OZSNXGVCNPEQSD-UHFFFAOYSA-N 474.520 6.096 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCSc2ccccc2)cc1Cl 515898401 OKBICNNPPLAFCO-JOCHJYFZSA-N 463.990 5.233 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 516713544 MHKICZKVQMXSIJ-QFIPXVFZSA-N 485.565 5.237 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 517300764 YMVACAUTEGMCBB-UHFFFAOYSA-N 469.006 5.097 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Cl)cc1 520600887 SOJXBYYQRIIMEQ-HSZRJFAPSA-N 457.921 5.649 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 520841929 JFUQOUMHQJBDHN-KRWDZBQOSA-N 496.375 6.477 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Br)cc2I)cc1 521756906 LLQPUKRTNDHOQQ-UHFFFAOYSA-N 499.146 5.013 30 20 JKED N#Cc1ccc(CSCC(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 523443072 QBVJOLDANYDEHZ-HXUWFJFHSA-N 462.402 5.118 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524405700 ANEOCMFXIWXUGM-UHFFFAOYSA-N 476.964 5.503 30 20 JKED C=C[C@H](CC(=O)N1CC(CN2CC(C)(C)c3ccc(-c4cnn(C)c4)cc32)C1)c1ccccc1 568654557 NRHVGHZNXRZILP-JOCHJYFZSA-N 454.618 5.003 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc1 603953692 NEOBKIOQSUYECI-HSZRJFAPSA-N 479.458 5.094 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 603969667 PJQALVSLPMVKKC-UHFFFAOYSA-N 489.553 5.081 30 20 JKED N#Cc1c(NC(=O)CCNC(=O)c2cc(F)ccc2Br)sc2c1-c1ccccc1CC2 603992582 QIHGKBSKNOBQDF-UHFFFAOYSA-N 498.377 5.046 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1Cl 604023164 QZYCFKYJQCJTPR-UHFFFAOYSA-N 452.388 5.043 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1 604088429 VIMNBBUHZYRKLO-HSZRJFAPSA-N 457.921 5.649 30 20 JKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604141525 IVCLCPOHSJIRTJ-FYYLOGMGSA-N 475.976 5.665 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1NS(C)(=O)=O 604459654 DBNWEQMKEDUZLT-IERDGZPVSA-N 482.993 5.250 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)cn2)c1 608937452 YIRPYLIPIMTVOI-UHFFFAOYSA-N 455.543 5.210 30 20 JKED COc1cccc(Cn2c(NC(=O)c3occc3COc3cccc(C#N)c3)nc3ccccc32)c1 609063448 JTOIEFRHSDOOJP-UHFFFAOYSA-N 478.508 5.389 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 609080472 YPVJLFHBTZCOKE-UHFFFAOYSA-N 493.567 5.200 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3csc(NC(=O)c4ccccc4F)n3)c2)cc1 609177061 GWQHAHHFCVAKHI-UHFFFAOYSA-N 472.501 5.380 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1F 609207154 UYYTZQHHWCITJG-UHFFFAOYSA-N 475.520 5.882 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 613320206 WYUKWGARLKAJJI-AWEZNQCLSA-N 490.869 6.297 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1nc2ccccc2o1 614439777 HWWDJEFQKLYPJE-HXUWFJFHSA-N 459.465 5.371 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 615080724 XAAJDUJIRDOGJN-UHFFFAOYSA-N 469.335 5.131 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2COc2ccccc2)nnc1-c1ccc(Cl)cc1 615174027 PCKQEQGOQXTWBP-UHFFFAOYSA-N 491.016 6.094 30 20 JKED CCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619930424 MEFBASZROGWJLB-GHMZBOCLSA-N 452.317 5.699 30 20 JKED O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 623591115 QQJKCVZGEILVTP-RYUDHWBXSA-N 459.312 5.094 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1-c1ccccc1OC 639429427 LVWMTCSXFMFMCC-JOCHJYFZSA-N 450.608 5.512 30 20 JKED CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726073677 FFLIJRABMMVSCK-DEOSSOPVSA-N 462.391 6.547 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(C#N)c(Cl)c1 726409033 LFDLXKQXAQEPER-OAQYLSRUSA-N 462.962 5.345 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C\C(=O)c1ccc(NS(C)(=O)=O)cc1 726427021 BTEUWNYFMACFRY-KHPPLWFESA-N 483.899 5.121 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(F)ccc2F)cc1 726571598 YYVFHJYDECVJMF-UHFFFAOYSA-O 499.006 7.004 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Cl)cc2)cc1 726571635 KLBKRUHCRRJQTI-UHFFFAOYSA-O 481.041 6.038 30 20 JKED CCOc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc(Cl)c1OC 726626729 KMFGVVBBMVYLJO-IUXPMGMMSA-N 465.383 5.678 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 726755972 QNAUIVFGVBFRIE-KRWDZBQOSA-N 476.989 5.752 30 20 JKED COc1ccc(N=c2scc(-c3ccc(NC(C)=O)c(SC)c3)n2CCCCC#N)cn1 728776169 LKNGRSDOHZPSQB-UHFFFAOYSA-N 467.620 5.227 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c1 728776724 DQOCJQBKNRUWHO-OAQYLSRUSA-N 452.555 5.097 30 20 JKED C[C@H](CC#N)N(C)Cn1nc(COc2ccccc2F)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1=S 728902140 INWPRCFBOIZVAS-SWBPCFCJSA-N 457.619 5.321 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c1 730714309 SZVXAZSVQOJPES-HXUWFJFHSA-N 468.966 5.105 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(Cl)cc2)o1 730717164 GHTFNJYGOLFQJU-DJKXOVBDSA-N 495.992 5.007 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730720962 XNKFZGMKFHWYFV-NRFANRHFSA-N 482.993 5.359 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1C 730943326 CFTCQQLRPSLXKK-WMZHIEFXSA-N 458.587 5.420 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2cccs2)cc1 731126608 WLQBNZSUFMBJBW-XMMPIXPASA-N 477.655 5.797 30 20 JKED N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 731136622 RTNIRBVJSMGVKJ-KRWDZBQOSA-N 451.773 5.322 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl 743683789 JIZIFWZIAKAUNB-UHFFFAOYSA-N 499.032 5.045 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccc2C(F)(F)F)C1=O)NC1CC1 745583152 CFOWVNGHKKQTQH-SFHVURJKSA-N 481.927 5.159 30 20 JKED COc1ccc(-c2nn(CN(Cc3ccc(C#N)cc3)C(C)C)c(=S)n2C[C@H]2CCCO2)cc1 746032796 KGVURGOAFJCLFY-XMMPIXPASA-N 477.634 5.008 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCc1nccs1 747601098 DVASQVKIRSOVOC-FQEVSTJZSA-N 482.606 5.048 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O 747601123 DGWFSQKJDWKDOR-LJQANCHMSA-N 488.997 5.405 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCc1nccs1 747603687 WBAMJUBHKVLLBS-FQEVSTJZSA-N 499.061 5.616 30 20 JKED COc1ccc(N2C/C(=C/c3ccc(NC(C)=O)cc3)C(=O)/C(=C\c3ccc(NC(C)=O)cc3)C2)cc1 750916942 PQGBGXQFPPQQBQ-YFJQDTPYSA-N 495.579 5.168 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccs1 837301079 FSQRSTCUENCBJS-HXUWFJFHSA-N 453.564 5.356 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 838546063 MWCOMKBANJWIBH-QKKBWIMNSA-N 484.503 5.220 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCc3occc32)c1 913090538 NONZFQVJGREVAL-JOCHJYFZSA-N 470.978 5.122 30 20 JKED Cc1c(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)sc2nc(C(F)(F)F)ccc12 914680419 XQYSBCQLRVGZCE-UHFFFAOYSA-N 471.460 5.532 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3ncnc4sc(C)c(C)c34)n2)cc1 915101883 NVJQZFUBZSBVNG-MRXNPFEDSA-N 450.614 5.709 30 20 JKED N#C[C@H](C(=O)Cc1csc(N2CCCC2=O)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102885 JZOLMNOBHOUCSL-CQSZACIVSA-N 477.398 5.119 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1CC1CCC1 915111642 NSNBSAVSHNJEJN-NRFANRHFSA-N 488.009 5.118 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C1\S/C(=N/C2CCCC2)NC1=O 915856914 CMWMLFOIWGRAAE-YBEGLDIGSA-N 454.905 5.355 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5n4C)cc3)ccc12 916627321 MUIUGKKQPJDPBC-JOCHJYFZSA-N 463.493 5.057 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 916910584 RVFLFIXAHJFEJA-OAHLLOKOSA-N 460.342 5.299 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccccc1Br)C(=O)Nc1cccc2ccccc12 916918914 RWFNBNHLTSVAME-SFHVURJKSA-N 451.320 5.109 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)cs1 916932593 ZBDXBVMOYZXXBJ-KRWDZBQOSA-N 476.410 6.012 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 916945747 CLSOWBQZTBLHMW-KRWDZBQOSA-N 482.352 5.264 30 20 JKED N#C[C@H](C(=O)C1=Cc2cc(Br)ccc2OC1)c1nc(-c2ccc(Cl)cc2)cs1 916975911 GLGWWBHGIHDVRK-QGZVFWFLSA-N 471.763 5.878 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccc(C)s2)C1=O 917670074 ZLEGPBOEPBFTHR-QFIPXVFZSA-N 479.627 5.534 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1ccc(Cl)s1 917703358 LMIWPUWVDNXTKP-HXUWFJFHSA-N 495.029 5.476 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 919008209 SJVCFTRFTZFWBH-LJQANCHMSA-N 472.328 5.078 30 20 JKED C[C@H](Oc1ccc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cn1)c1ccccc1 919213570 BJLXSILBEGJKIN-IBGZPJMESA-N 453.498 5.130 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H](C)c2ccc(C)s2)C1=O 920170892 QHIDYRFSSGRCTQ-MLGOLLRUSA-N 469.604 5.200 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3c(C)noc3C)C2=O)cc1 920354638 FXEMSRWWYPSCQI-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2Cl)n1 920753367 XYILSPKORTTXJH-INIZCTEOSA-N 490.951 5.169 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccccc2F)n1 920790128 PBPHLEVOBVKFHS-SFHVURJKSA-N 457.486 5.703 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC2CCC2)cc1 920927589 RWMLXRAGTLCHHJ-FQEVSTJZSA-N 475.536 5.774 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1 1786374957 FIMIWMYJWOGGAN-OAHLLOKOSA-N 464.459 5.183 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)CSc3ccc(F)cc3F)CCC2)cc1 1786389888 SZIGECFENITYAF-NRFANRHFSA-N 464.603 5.145 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)ncc3Cl)cc2)CCC1 1786980438 HWAACEBBWCZILN-GOSISDBHSA-N 496.858 5.200 30 20 JKED CSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789928427 PUSUJLZINHZYGN-SFHVURJKSA-N 470.598 5.492 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)C[C@@H]3C)cc2)CCC1 1790425521 JTCAEECDAZNWAT-RKVCDUFXSA-N 469.626 5.026 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)CCCOc4ccc(Br)cc4)cc3)CCC2)CC1 1790471535 CKTKNGFLAFLIRC-UHFFFAOYSA-N 496.405 5.046 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(Cl)c3)cc2)CCC1 1790638307 SGPXWBYWWUFFEM-UHFFFAOYSA-N 459.771 5.264 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc4occc4c3O)cc2)CCC1 1790930935 GAHSPCDTPKRWMA-PKNBQFBNSA-N 486.549 5.387 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791007700 FRJBFSOGMYFPQX-AJBULDERSA-N 494.595 5.805 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)CCC2)cc1 1791586392 YNNWMSCXUXMEBK-QHCPKHFHSA-N 498.023 5.616 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1)c1ccc(O)cc1 1791949162 NINJJPWQIOIKQM-JOCHJYFZSA-N 470.569 5.167 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)CCC3)cc2)CCC1 1792229723 WDLQBIFIOIRYQD-ZKMPZPQNSA-N 468.601 5.192 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(Cl)c(C)c2)[nH]n1 1796369872 NXVDIXVMFMHPJH-ACDBMABISA-N 469.029 5.283 30 20 JKED Cc1cccc(C)c1SCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1798624318 VPKVRDXPTDTDQA-BKFWDETESA-N 491.657 5.006 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F 1800704267 SCXWQCFLEDLYFN-WKCHPHFGSA-N 485.600 5.193 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(OC(C)C)c(Br)c1)C2 1801637821 SOUSEDDCQJSUGJ-QRLLNIQASA-N 489.454 5.100 30 20 JKED O=C(/C=C/C(=O)N1CCC2(CCCN(C(=O)C3(c4ccccc4)CCCC3)C2)CC1)c1cccs1 1805234559 NORLGKZWKDFKCL-VAWYXSNFSA-N 490.669 5.230 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC2(CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)C1 1808383672 VFHMSQYNPSRLQA-UHFFFAOYSA-N 484.757 5.781 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1809756355 RISDQLQLJZURJZ-GCJKJVERSA-N 467.660 5.670 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810077071 NTSKMMHMSGCUBC-UMEGOILYSA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1810173498 PCLDPKVYZCRSQT-FKCDAAJZSA-N 468.601 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)[C@@H]1c1cccnc1 1810501431 JCXFLSLXGDKZTF-NYEVAOKNSA-N 471.645 5.202 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811786712 IHOMYSUOMAHZBS-GAJHUEQPSA-N 476.379 5.041 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)[C@@H]2c2cccnc2)cc1 1811894440 XCZXFAYRDIJPCP-ZEQKJWHPSA-N 499.014 5.048 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1 1812809470 QUDWOJMNDXKECS-ATIYNZHBSA-N 478.612 5.409 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1812959187 NAWASVMCCHWILH-BHBYDHKZSA-N 473.661 5.256 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c1Cl 1813756128 DMHCIRXHBGYWGZ-LVXARBLLSA-N 484.987 5.117 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)[nH]c12 1814380599 RJWAEVGOLSSMCZ-DEOSSOPVSA-N 480.572 5.010 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)C(C)(C)C#N)n[nH]3)c2c1 1814568100 DRMMHCTWCCSBJS-HXUWFJFHSA-N 491.592 5.219 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)[nH]n1 1814828793 JCFNMUFJWDIVQJ-IBGZPJMESA-N 465.579 5.201 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)n[nH]1 1818596606 RSPNXBQXJTWUGI-NRFANRHFSA-N 469.536 5.468 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)[nH]n1 1819309588 XMTNNQXFKVVCBY-RDPSFJRHSA-N 475.568 5.100 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)cc1 1819358992 CWZUHTMYSWIYLI-ABSORMQESA-N 489.576 5.341 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)C)on2)[nH]n1)c1ccccc1 1819518747 ZNRJFIACWCPDSC-NZQKXSOJSA-N 473.577 5.024 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccoc2Cl)[nH]n1)c1ccccc1 1819520467 JDDIWDBAQHBQCL-RXVVDRJESA-N 464.953 5.159 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)n[nH]1 1820964792 RQEAXLFUWCNGDX-MYILAFDMSA-N 487.604 5.374 30 20 JKED COc1cc(C)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1821016453 FBXZNFBLRLKNCN-HSZRJFAPSA-N 480.685 5.084 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(N4CCCCC4)cc3)n[nH]2)c1 1821136580 FQAUKVXIVXPREL-SANMLTNESA-N 496.615 5.200 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)[nH]n2)c(Cl)c1 1821278306 QOCQZLVDVBXUAF-IBGZPJMESA-N 478.965 5.097 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1)c1ccc(O)cc1 1822710435 ZXWIYNRCWBHBHG-QMHWCDLVSA-N 490.629 5.170 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823215570 VWXYPHWYVPQKPF-MWTRTKDXSA-N 497.555 5.417 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3sccc3Cl)[nH]n2)cc1C#N 1823293106 YYSQJQOCLPVIEW-LJQANCHMSA-N 498.008 5.403 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1823886432 DRPVYIRDKLYBIH-FTJBHMTQSA-N 493.598 5.668 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1824957889 FYXJWVRLHFKOMA-HSZRJFAPSA-N 491.657 5.580 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825436148 XZHZDWDILVYNNL-XTEPFMGCSA-N 489.660 5.692 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2cnn3C)CC1)c1ccccc1 1828313468 SNQLPHXWADRWCO-LEAFIULHSA-N 496.655 5.004 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828602028 OLMPDIXATBUCSB-QFIPXVFZSA-N 472.626 5.257 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1828830956 QBWLOAYNFRPTQC-LADGPHEKSA-N 481.587 5.515 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)c1 1829776062 GZLQMGBKCFSTFI-MHZLTWQESA-N 484.575 5.240 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 1829975085 HVRJULISAXVCIF-HSZRJFAPSA-N 470.400 5.412 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1830738918 XVVIAGVCRXYQSM-LJQANCHMSA-N 483.943 5.001 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc(C(F)(F)F)c1 1830756716 STXYFBODMAJCNN-YHZGQTRVSA-N 495.545 5.524 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3O)CC2)c(Cl)c1 1830957858 WTBRCYVSAQTLID-QHCPKHFHSA-N 491.975 5.211 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1831367596 KVLNDJPTMAEQRJ-JRFVFWCSSA-N 491.717 5.148 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831376388 MTNFLEOWTLVXLG-GCJKJVERSA-N 450.545 5.080 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1831447154 YDJFIWNYXPJNSL-HSZRJFAPSA-N 485.550 5.332 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 1832030594 ULWWNORJTYOAAH-QFIPXVFZSA-N 493.873 5.529 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832170126 DYRABMJEXOBIJY-CZSZKKDXSA-N 490.673 5.123 30 20 JKED Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1832565847 JHNYNPSHPGDIAA-BREAQWACSA-N 464.631 5.037 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)c1 1832634045 RFUGDXBYSSHWOW-CRICUBBOSA-N 483.534 5.278 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)cc1 1832680482 LXINJGINZQYBTN-LJAQVGFWSA-N 499.655 5.213 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](CC#CC)c3ccccc3)CC2)CC1 1838416771 MJTUECDCCFFBGN-MHZLTWQESA-N 478.677 5.175 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCc3ccc(C)c4ccccc34)CC2)CC1 1838750122 XIDMYBBMBQEAJB-HSZRJFAPSA-N 476.661 5.292 30 20 JKED C=C1CC(C(=O)N2CCCC23CN(C(=O)c2ccc(Oc4ccc(C(F)(F)F)cc4)cc2)C3)C1 1841020266 HJPOVCRFOUKGGP-UHFFFAOYSA-N 470.491 5.281 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)C2)c1 1846431639 VPQNBORXLYJFLX-MRXNPFEDSA-N 489.925 5.046 30 20 JKED CC(C)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(Cl)cc1Cl 9826421 HREXFNNQEOCDHK-UHFFFAOYSA-N 452.392 5.497 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccs2)nc2scc(-c3cccs3)c2c1=O 9964580 YBUHTVCGWSJEIF-UHFFFAOYSA-N 473.670 5.185 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1cccc(Cl)c1 10830262 LDBQQOQPBNTFLW-UHFFFAOYSA-O 472.033 6.908 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)o2)cc1OC 11303184 IRBNFOIUDIXDNY-QQHUYRGFSA-N 465.575 5.115 30 20 JKED C=CCn1c(SCC(=O)NCc2cnn(-c3ccccc3)c2)nnc1-c1ccc(Cl)cc1Cl 11564310 MPPRJMNVKRMDBZ-UHFFFAOYSA-N 499.427 5.032 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)nnc12 12427292 LDQMHQSRRCLFJA-HSZRJFAPSA-N 481.581 5.011 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2ccccc2)c(Cl)c1 15248368 JFHRISYTZVIDIG-UHFFFAOYSA-O 453.971 5.066 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 22033699 LDDNZKZHNQWNEG-GFCCVEGCSA-N 451.354 5.696 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Cl)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1cc(F)ccc1F 22695181 WUWDPEKHDJGICD-UHFFFAOYSA-O 492.398 6.489 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(OC)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22728421 CLLFFDYFRSIONC-UHFFFAOYSA-O 463.623 5.730 30 20 JKED Cc1nc(SCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C#N)c(C)c1C 23274578 YNRWBUCPJQDMCD-ZDUSSCGKSA-N 485.915 5.213 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)nc2ccccc2c1=O 23348908 CSVUAHBCQCFBFY-VWLOTQADSA-N 473.573 5.062 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccccc1 23566182 XGFYWZOFBFECDX-UHFFFAOYSA-N 475.599 5.127 30 20 JKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1ccc(C#N)cc1 24693943 FLBUKWXDECWZIY-UHFFFAOYSA-N 457.530 5.179 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 72074629 LHEXAPXTHMHIRS-AWEZNQCLSA-N 489.881 6.470 30 20 JKED Cc1cccc2c(=O)n(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cnc12 107647736 UKKOSZPJXZDYOR-QFIPXVFZSA-N 456.933 5.043 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCSc1ccccc1Br 107807027 VHUPXKQXTRPCIT-UHFFFAOYSA-N 468.376 5.937 30 20 JKED N#CCCN(C(=O)CCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccccc1 110944337 XJHLWVBQQFCKHD-XGQFDHNQSA-N 463.581 5.127 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1coc(-c2ccc(OC)cc2)n1 248184509 GOGWMXRXBFNWET-UHFFFAOYSA-N 452.511 5.138 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 302987089 VKFLNKDYBXLASE-SFHVURJKSA-N 455.583 5.690 30 20 JKED Cc1c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1cccc(Br)c1 303309454 FGDMLSYOTOVRAF-AWEZNQCLSA-N 455.381 5.590 30 20 JKED CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 494665233 MEOPOKOHBFFDIC-NRFANRHFSA-N 453.951 5.145 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)o1 499464326 NGFRKUKAJLAROI-UHFFFAOYSA-N 462.509 5.058 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3cc(C#N)ccc3OC(C)C)oc3ccccc23)s1 499785518 YUDMFPDTWWTPMW-UHFFFAOYSA-N 464.572 5.796 30 20 JKED C[C@@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)N(CCC#N)c1ccccc1 501072820 JIWXGIXOSVXXSY-CQSZACIVSA-N 477.373 5.383 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccnc3Nc3ccc(Cl)c(Cl)c3)CC2)c1 502041421 HTYRFWAYFWEJPF-UHFFFAOYSA-N 494.382 5.495 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 502683396 YSFBGRZTKZGDGN-UHFFFAOYSA-N 462.363 5.337 30 20 JKED C=CCN(C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 505869771 OYFLBBOXAYYSJU-RTBURBONSA-N 492.601 5.160 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3C[C@H]3c3ccccc3C(F)(F)F)s2)cc1 508364611 ZFDHGVZPIZMCQK-RDJZCZTQSA-N 475.521 5.398 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 508981459 SMYQLCRGPVCWHC-UHFFFAOYSA-N 473.617 5.525 30 20 JKED Cc1ccc([C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)N2CCOCC2)o1 510009982 MOVZPJKRGFQKBT-VWNXMTODSA-N 478.980 5.092 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 510665254 KEZSACBZWDVJSN-UHFFFAOYSA-N 484.600 5.243 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 511318636 GVLFBXFGJMKIJX-UHFFFAOYSA-N 481.021 5.396 30 20 JKED COc1ccc([C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccc(C)cc2)cc1 512869227 PGXKJTIVJZHLHE-AREMUKBSSA-N 496.567 5.246 30 20 JKED O=C(CNc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)Nc1ccccc1C(F)(F)F 513035114 JCFWWZOMGQZGGU-UHFFFAOYSA-N 499.386 6.166 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1ccc(C(F)(F)F)cn1 513139121 ZLBQSDKKRGQXNI-QGZVFWFLSA-N 489.295 5.417 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2c(F)cccc2F)cs1 513302249 TUZMERLHLXPYDW-GOSISDBHSA-N 491.519 5.507 30 20 JKED COc1cc(CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C2CC2)ccc1OC(F)F 515420770 WAYSNRBBJISXJY-UHFFFAOYSA-N 468.456 5.145 30 20 JKED N#Cc1c(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)sc2c1CCCC2 515600184 SPOFAOUFIYTKOA-UHFFFAOYSA-N 464.435 5.627 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 517123302 SDWWKMGRVDIBSF-HSZRJFAPSA-N 483.977 5.055 30 20 JKED CCOc1ccc([C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C(C)C)cc1OCC 517912251 VZLVBEOYQKTENK-AREMUKBSSA-N 465.594 5.306 30 20 JKED CCOc1cc(Br)c(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OCC 518139908 DNVHUARSDSBDCQ-HNNXBMFYSA-N 477.424 5.679 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(F)cc4F)c3C)n2)cc1 518516783 YFXQUKFXOHFJBB-QGZVFWFLSA-N 450.470 5.081 30 20 JKED N#CCCSc1ccccc1NC(=O)CCCOc1ccc(I)cc1 518648539 ONGDNGJUKLVFKG-UHFFFAOYSA-N 466.344 5.095 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2)cc1 519977577 ATAYHKDJNCPOIA-UHFFFAOYSA-N 457.364 5.452 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1 520099549 SYYAYTQXDVAGLS-UHFFFAOYSA-N 491.544 5.207 30 20 JKED CC(C)c1nc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2s1 520681159 JIYCIQGZNOECML-UHFFFAOYSA-N 461.547 5.394 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 520809754 NFUAPFPCKCXSSO-UHFFFAOYSA-N 453.896 5.037 30 20 JKED C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SCCC#N)c1 521717523 ZGGGVEVJAFNDCC-SFHVURJKSA-N 477.611 5.085 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1 521731078 VVWXNKWSMLIRLF-LJQANCHMSA-N 459.571 5.028 30 20 JKED Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1NC(=O)c1ccco1 524459140 XMYYTEWRUKBMEJ-UHFFFAOYSA-N 469.472 5.682 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 524572552 GBKCIVKAAKHNGE-LJQANCHMSA-N 480.362 5.587 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)n(C2CCCC2)c1C 590616777 ANYDSJPPGLUNON-MRXNPFEDSA-N 463.607 5.552 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CC1 603591172 DVORPSGPLCDFHV-UHFFFAOYSA-N 480.899 5.273 30 20 JKED CCOc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 603633248 DNWQHMGHHQGFOG-AKKDSBOQSA-N 489.660 5.614 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnc1-c1cccs1 603673322 FBKKVBSMBWDSLG-LJQANCHMSA-N 494.045 6.066 30 20 JKED C=CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccccc2I)cc1 603757613 QVMSTEHQTITCRN-UHFFFAOYSA-N 496.348 5.372 30 20 JKED Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1NC(=O)c1ccco1 603758845 KZZANAGWDXWOKG-QFIPXVFZSA-N 469.928 6.402 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 603765185 RQKQWMCEMCUBOK-UHFFFAOYSA-N 498.564 5.213 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1Cl 603766901 ZHDGELRNPVISMN-NRFANRHFSA-N 467.903 5.422 30 20 JKED CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995785 YNQOIVMHSYTJHD-MASDEKCNSA-N 498.627 5.106 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N[C@H](c3ccccc3)c3cccs3)c2)c1 604007000 JIVYAGGZCRTBPY-HHHXNRCGSA-N 453.567 5.516 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 608937150 CUVWJRQMFGTEON-UHFFFAOYSA-N 469.570 5.519 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 608994844 VMDOYVQGPGTOSP-HHHXNRCGSA-N 487.047 6.371 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)C[C@@H](C)O1 609104771 OHAYGOINLKDXDR-BGYRXZFFSA-N 473.548 5.138 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 609400321 YHZQYFTXLUAPIE-KTVWHRCTSA-N 467.594 5.044 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618538878 DNVZFFNTKSOBGM-UWVGGRQHSA-N 476.261 6.319 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 619342954 NHGAANPLZXGBJF-HZPDHXFCSA-N 463.422 5.095 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 622501011 DULSDVQJUCVUMS-SFHVURJKSA-N 487.375 5.263 30 20 JKED O=C(c1cccc(C(F)(F)F)n1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517759 OANKMRNQFHKQOU-CQSZACIVSA-N 472.307 5.352 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)Cc1c(F)cccc1Cl 645079489 SNQXEWMWMJCJJA-UHFFFAOYSA-N 495.407 5.240 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)NC23CC4CC(CC(C4)C2)C3)cc1 725762876 XMCFMBAIJYDZCQ-UHFFFAOYSA-O 476.666 5.076 30 20 JKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)ccc1-c1ccccc1Br 726319170 ALWGXRCMNBILDH-CQSZACIVSA-N 456.727 5.069 30 20 JKED COC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 726321854 OCXXAICGRKYONC-XLIONFOSSA-N 489.626 5.245 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1Cl 726396600 FTXNKXUCCJZCEK-UZLBHIALSA-N 459.999 5.034 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC2CCC2)cc1Cl 726408137 XKGKJMJQHBJXKN-HXUWFJFHSA-N 488.947 5.250 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(C)C)C2=O)cc1 726410120 XSVXGEJVJDCMQV-OAQYLSRUSA-N 482.993 5.031 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)Cc2ccco2)cc1F 726411017 KCKCSZPNJICBDZ-KSFYIVLOSA-N 481.549 5.019 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N 728778474 CSABHWKNPQAGFV-NRFANRHFSA-N 469.010 5.557 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN(C)[C@H](C)CC#N)c1=S 728902137 INWPRCFBOIZVAS-DEPCRRQNSA-N 457.619 5.321 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729144171 CEJIRNOZKGIVAS-OAQYLSRUSA-N 496.633 5.676 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 729159735 FCTANMBQRCUYRX-UHFFFAOYSA-N 494.642 5.498 30 20 JKED CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 729320105 VYPSYVXINOKHTD-UBLKFNIESA-N 465.962 5.019 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1OC 729425462 JBRPQXLPDWFGQM-GOSISDBHSA-N 466.950 5.061 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(O)c2c3c(sc2n1)CCCC3 730687255 SPDUBWHBTAOLQH-ZDUSSCGKSA-N 468.991 5.348 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cocn2)C1=O)Nc1ccc(Cl)c(Cl)c1 730709100 OCJZFYKSPQXNDA-SFHVURJKSA-N 493.347 5.281 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O)Nc1ccc(Oc2ccccc2)cc1 730713420 OHLFIZALUYKZPN-DEOSSOPVSA-N 498.564 5.627 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O)Nc1cc(Cl)cc(Cl)c1 730717396 LQTKPBFGZQZOLG-GOSISDBHSA-N 493.347 5.281 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944636 YVHBLEDKKJVGAK-UUOWRZLLSA-N 488.613 5.374 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCOCC2CC2)c1 730945000 KAFVFGCYVVVSPP-QHCPKHFHSA-N 496.032 5.017 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)s2)n1 731075548 FCNHCMLUNYYMNY-GFCCVEGCSA-N 478.020 5.572 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 731411310 WFHCGTQOOUKAOB-DNVCBOLYSA-N 461.543 5.056 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(Cc2ccc(C#N)cc2)C(C)C)c1=S 746034164 YLZCYYDOGYZAAX-UHFFFAOYSA-N 451.571 5.058 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 746698261 YIVDVUUTVBKINO-HXUWFJFHSA-N 495.979 5.395 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cs1 748584802 UHEWQFWRQNNOHO-WDZFZDKYSA-N 467.934 5.334 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)Cc2ccc(C#N)cc2)cs1 750244353 BBGIIFLOSBMKMP-UHFFFAOYSA-N 459.449 5.004 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 750396197 UUBUKTBLARYFNC-INIZCTEOSA-N 474.369 5.867 30 20 JKED CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccccc3Sc3ccccc3C#N)ccc21 784636875 FNLHCOVMPAEORA-KRWDZBQOSA-N 470.550 5.047 30 20 JKED CC(=O)Nc1ccc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 832919983 LVFODHCHESWFMQ-DJWKRKHSSA-N 484.318 6.353 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837774552 BIGQUCUSPYKPOR-HXOBKFHXSA-N 492.576 5.341 30 20 JKED CC1(C(=O)N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 858022196 MNAAMBVWJPOQQR-HSZRJFAPSA-N 479.024 5.161 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3\CCOc4ccc(F)cc4C3=O)cc2OC)cc1 861416404 QOJUNSMBBCLJDC-XMHGGMMESA-N 491.515 5.299 30 20 JKED CS(=O)(=O)c1ccc(-c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)cc1 904540802 CPBCVXHFWVSIKX-UHFFFAOYSA-N 468.350 5.097 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN(C(=O)c2ccccc2F)CC1 913152756 BCYVHLYCMAJAEE-SREVYHEPSA-N 488.403 5.251 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)c1 914690907 IUDVUUOUHPWRIW-OPAMFIHVSA-N 481.549 5.019 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C2CC2)[C@@H](C)C2CC2)c1 914840978 ACVQZNVKCCGAAD-KRWDZBQOSA-N 459.011 5.124 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc(-c2ccc(Cl)cc2)cs1 915101495 HTWIMYWSZTWGRW-QGZVFWFLSA-N 451.910 6.067 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 915780753 CWLMRDMOLJHCKK-MBOZVWFJSA-N 497.439 5.306 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCc3ccccn3)C2=O)c1 916207680 IQOXJXWXTOAYAO-RUZDIDTESA-N 486.641 5.518 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccccc1C(F)(F)F 916210177 CGVJBFUJHOEKPM-FQEVSTJZSA-N 484.503 5.261 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC(F)F)cc1 916210986 KRJHWSSRESYCGE-NRFANRHFSA-N 499.539 5.048 30 20 JKED CSCC[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)c2ccccc2C1=O 916628513 WAWZMEOUYPKGMV-QUCCMNQESA-N 496.013 5.058 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)c1nc2ccccc2s1 916847943 XGSNNDRTGDGFER-GCJKJVERSA-N 463.356 6.055 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)c12 916912109 XPJXHIGHRPMUSI-MRXNPFEDSA-N 451.958 5.233 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(NC(=O)c2cccs2)c1 916945227 STAKRIDTOCDFFV-QGZVFWFLSA-N 458.326 5.268 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)c1cccc(C(F)(F)F)c1 916980800 FJOPHBNLNBAMRX-GOSISDBHSA-N 469.916 5.541 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nc(-c2ccccc2)cs1 917026640 JYXQTEGZRZYENH-PKOBYXMFSA-N 469.488 5.054 30 20 JKED N#C[C@H](C(=O)CCc1cccc(Br)c1)c1nc2cc(C(F)(F)F)ccc2s1 917045328 XXHYRSJZYGBKGC-CQSZACIVSA-N 453.283 5.887 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)c1OC 917673795 IEJQYYAOINAFKI-QFIPXVFZSA-N 493.560 5.003 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)n3)C2=O)cc1 917675702 WWPWOBUAGTYARP-XMMPIXPASA-N 488.613 5.339 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2)n1 917681513 PBVLHLYOBNZISA-NRFANRHFSA-N 464.978 5.204 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)cc1 918445397 GBLBJVMNBDFFTC-WDYNHAJCSA-N 473.576 5.771 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc1 918714483 XYAODRVNJQXBFP-WDZFZDKYSA-N 465.962 5.584 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)o2)c(C)c1 920109344 DHNPCPNEUGMDQZ-QGZVFWFLSA-N 457.313 5.743 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c(OC)c1 920668882 ISCSBTLTWMMCQA-GOSISDBHSA-N 497.551 5.227 30 20 JKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(C(F)(F)F)cc1 920805071 FBWRPBQRAKFKOU-SWLSCSKDSA-N 450.432 6.477 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 920868104 INMRJDUDIXRVSB-HRAATJIYSA-N 474.026 5.200 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 920974727 FCDBBSDKMAPBHW-GAJHUEQPSA-N 474.948 5.835 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1 920985234 RNWSQYIXJWIVIN-SFHVURJKSA-N 476.371 5.003 30 20 JKED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)CCCCCCCCc3ccccc3)C2)C1 1785485785 SVXBNJNPFPFYQK-AREMUKBSSA-N 476.608 5.001 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)ccc3F)cc2)CCC1 1785959530 VOWDOHHSMKLQMY-HNNXBMFYSA-N 490.373 5.137 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CCN(c5ccccc5)CC4)cc3)CCC2)cc1 1786094076 COBYFESCSRFHDE-UHFFFAOYSA-N 492.623 5.417 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1786240981 OCBKMZPMNIZSEN-TUACAJSNSA-N 495.664 5.582 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1786370876 GWSWCILQPOHEEW-OAHLLOKOSA-N 469.994 5.289 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C(F)(F)F)cc2)CCC1 1786782757 YFBUBXMYWFITFH-UHFFFAOYSA-N 481.465 5.379 30 20 JKED CC(C)c1nc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)co1 1787025355 XNLGRIJVRNGJFY-UHFFFAOYSA-N 456.546 5.050 30 20 JKED C[C@H](Cc1cccc(Br)c1)C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787889335 DFIJITXZPWRTHG-QGZVFWFLSA-N 468.395 5.066 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CNc5ccccc54)cc3)CCC2)c1 1788049200 RZSHKJPFNSXGBR-CLOONOSVSA-N 464.569 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccnc4)cc3)CCC2)c1 1788280263 UDQSYKVRNJZIPK-FQEVSTJZSA-N 452.558 5.089 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CCCC(F)(F)F)CCC2)cc1 1788649142 BFCSPFODTFSPTF-ZHACJKMWSA-N 464.509 5.354 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4occc4Br)cc3)CCC2)ccc1F 1788719158 OVBNKTBCXSMNBR-UHFFFAOYSA-N 496.336 5.043 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COc3cc(Cl)ccn3)cc2)CCC1 1789620086 CSFCERYXSLPFCL-OAQYLSRUSA-N 453.970 5.016 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Br)cc3)CCC2)cc1 1790569671 HCBKWWYZTBRIQF-XPUDNMOSSA-N 498.421 5.397 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cc6cccnc6s5)CCC4)cc3)c2c1 1790835141 OTJAGKDIYKAPIW-UHFFFAOYSA-N 492.564 5.106 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)ccc3Cl)CCC2)cc1)C(F)(F)F 1791305736 PZEYIWJZFPOPPO-UHFFFAOYSA-N 452.860 5.215 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791526394 NOFVZBBHYJHXDG-UGKGYDQZSA-N 471.642 5.130 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C(F)(F)F)cn3)CCC2)cc1 1791728728 BMQFKIXEABXAEG-UHFFFAOYSA-N 471.523 5.361 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)COc4cccc5ccccc45)CCC3)cc2)CCC1 1792227766 WBCWTNSGLQRBIY-UHFFFAOYSA-N 453.542 5.047 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)c(F)c4Br)CCC3)cc2)CCC1 1792233591 UUURYNNVCNHCSZ-UHFFFAOYSA-N 488.332 5.169 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1798333860 IKYRJEDVXWDTGO-NDBXHCKUSA-N 467.613 5.627 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3CSc3ccccc3)[C@@H]2c2cccnc2)C1 1802414189 YRYHWHBWHPFUJF-NEKDWFFYSA-N 497.664 5.660 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)C3)cc1C#N 1803839136 KCKYVEPXWOYWBV-YCXOGWGTSA-N 492.019 5.054 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)C4(c5ccc(Br)cc5)CCCC4)CC3)C2)C1 1804780484 CWDBKCYCCYFEMO-UHFFFAOYSA-N 499.493 5.458 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4cccc(F)c4s3)[C@@H]2c2cccnc2)c1 1809203667 FTYJNWTZSAQOOO-OFVILXPXSA-N 498.583 5.249 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809210972 AJAGMBLJGFKCMR-DVECYGJZSA-N 480.033 5.463 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1809335785 FZKLVMMSPSUOLD-WIOPSUGQSA-N 474.630 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1c1cccnc1 1809694276 LNMFMTOXAFOCEU-NTKDMRAZSA-N 462.569 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1810175769 VQIJCLLVDBIPHA-GEBXHLAXSA-N 497.614 5.976 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(-c5ccc(Cl)cc5)no4)C3)CC2)cc1 1810375367 GHMGEDRFMXRWAU-UHFFFAOYSA-N 488.975 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[C@H]1c1cccnc1 1810493050 UZDRFUVLETULSE-QVQNZMNRSA-N 463.597 5.023 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3c(F)cc(Cl)cc3Cl)[C@H]2c2cccnc2)c1 1811460003 OWIFFCSLGWZUEV-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2ccc(OC)cc2)[C@@H]1c1cccnc1 1812420969 AVZJRRSIVUMLDJ-HUBMOFRJSA-N 475.633 5.192 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1812590486 PHJZRVBKPNSFQI-AIUHUKMKSA-N 469.585 5.406 30 20 JKED Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c1Cl 1813827319 KSGADRNTUYMVIL-BLFHIAQRSA-N 487.003 5.304 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1813864353 ZUDNVXUVIREYDE-NIJXNBFTSA-N 458.606 5.021 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1815245132 GGHRJAMLDLYCHW-NTKDMRAZSA-N 491.617 5.411 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3nn2)n[nH]1 1817934428 RZKROKLQLFEBMC-AVRDEDQJSA-N 478.984 5.081 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818970950 UVEGJBFMPNQNLO-NRFANRHFSA-N 484.025 5.145 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3s2)n[nH]1 1819075880 ZYUGXRZWYXHMPG-QGZVFWFLSA-N 485.407 5.106 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)n[nH]2)CCC1 1820116620 QGQATFGXEXQQQR-OAQYLSRUSA-N 498.612 5.619 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820218202 OIGAREVVZGONKC-FQEVSTJZSA-N 482.009 5.243 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2)c1 1820485006 ZAHNFOAIUDQUHC-HXUWFJFHSA-N 468.344 5.208 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3N3CCCCC3)n[nH]2)c1 1821308658 YXBYDURXSHCPKL-SANMLTNESA-N 496.615 5.200 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821535956 OTRMAEAAWGKUMC-JOCHJYFZSA-N 476.653 5.513 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1)C(F)(F)F 1821992781 JFICOFCIVRIANU-INIZCTEOSA-N 466.847 5.234 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)cc1 1823206770 QHBAUACCHOLXCA-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3c(F)ccc(F)c3F)[nH]n2)c1 1823210468 FDHIVBTXPADKIT-OYHNWAKOSA-N 495.505 5.003 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c1 1823216657 YPGBXVQEMLBMJK-OYHNWAKOSA-N 479.943 5.449 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823217779 XIBRZKXCOWNWRC-SBUREZEXSA-N 459.525 5.104 30 20 JKED COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(Cl)c1 1823248496 LFFGHVBLGNHDJD-HJPURHCSSA-N 491.979 5.318 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)cc1 1823685044 LFGILGWRWHHYCH-XMMPIXPASA-N 481.999 5.217 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823849672 QMOJYYTYUXKMLK-QHCPKHFHSA-N 491.717 5.244 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1824037792 KWGWPHGDGOOJFU-PFBJBMPXSA-N 473.592 5.043 30 20 JKED COc1ccc2oc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)cc2c1 1824053240 MDGNPEDUSHBPDK-SANMLTNESA-N 499.611 5.179 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1824143621 OKICEJRZRUUPFY-XMMPIXPASA-N 483.056 5.147 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)c1 1824837798 RZFOJNNAUUKOGE-VSFTXHECSA-N 495.545 5.524 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1825575352 LZOARDPXKPAJBS-NDEPHWFRSA-N 498.602 5.434 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1)C(F)(F)F 1826781537 REEQNYQJKVEAHT-IQFVJIFQSA-N 489.582 5.103 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1827356743 ZZEOARJYCOBRGW-RUZDIDTESA-N 479.571 5.064 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828164173 QASNGWNYTHJONC-PZJWPPBQSA-N 473.013 5.070 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828216596 NJBQYOSPDSSCPD-DEOSSOPVSA-N 464.606 5.449 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)CCC1 1828508589 DASGAJMJUCULOF-QFIPXVFZSA-N 486.538 5.114 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)cc2F)CC1 1828907023 SMENXKCNGODZHD-DEOSSOPVSA-N 474.668 5.249 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(Cl)s2)CC1)c1ccccc1 1829401891 MTXNJJASFWGKDU-VXKWHMMOSA-N 484.065 5.227 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829572567 ZBKRPUCTYDCKAZ-GBXCKJPGSA-N 489.616 5.252 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)CC2)c1 1829582212 NBVNSXDKXGHRRF-DEOSSOPVSA-N 496.636 5.573 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685451 GYKYKYRAUQFAAB-QHCPKHFHSA-N 467.972 5.206 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c1Cl 1829690161 MYPWXIPXXGNYHF-LJQANCHMSA-N 493.913 5.371 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)cc3)CC2)C1 1829784404 BTIHQDXUBZVNFC-VWLOTQADSA-N 461.581 5.087 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)c1 1829954632 HXBNLGMXJJZXGM-QHCPKHFHSA-N 475.589 5.459 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1830364521 CAZSONJAGPVVEC-QHCPKHFHSA-N 469.626 5.058 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)cc1 1830627287 ACSXFPDMDPUDSF-JOCHJYFZSA-N 485.415 5.002 30 20 JKED CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCC1 1830754793 JIJJWBRCSDKTER-NRFANRHFSA-N 461.528 5.001 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)cc1 1830986858 GEQGJVIIZUAIFK-SANMLTNESA-N 469.585 5.171 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)s1 1831141863 XNSPBAWJFKHJIM-QHCPKHFHSA-N 496.652 5.434 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)CC1 1831232137 UGNXUEZFQXLEMJ-RCXJIHSJSA-N 452.639 5.232 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1831371023 SANUJHKOTGONNU-VGOFRKELSA-N 456.030 5.575 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831846442 RTIYKCCJHQATCD-GCJKJVERSA-N 463.087 5.090 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1831857326 FQYIMVYXTQASQE-NRFANRHFSA-N 459.512 5.063 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832632412 PJWQRNYYWCHFHU-SIBVEZHUSA-N 499.611 5.621 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1832633612 LSPWSDAVYSMWBH-JIPXPUAJSA-N 496.611 5.516 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832732338 PSWIDMHKBANADY-VWLOTQADSA-N 468.613 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)CC1 1838250919 CLAHRKZESXYWAG-UHFFFAOYSA-N 486.056 5.426 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)CC1 1838423877 LCODIGRITRUCME-UHFFFAOYSA-N 489.660 5.353 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2cccnc2-c2ccc4ccccc4c2)C3)c1 1845485300 PJLDZJMJGGPCNV-UHFFFAOYSA-N 490.538 5.043 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(C(F)(F)F)CC1 1847989049 KAUSJYRJDCRYFV-YCWMGOOZSA-N 480.424 5.029 30 20 JKED C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)C(=O)Nc1ccccc1C#N 8620792 DJLUEIHGKGCQSF-XMGGNUPJSA-N 463.493 5.370 30 20 JKED Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)NC2(C#N)CCCC2)n1C1CCCCC1 8645947 LEQIDQLPHHNUBM-UHFFFAOYSA-N 488.057 5.369 30 20 JKED COc1ccc(-n2c(SCCCC#N)nnc2-c2ccc(Br)cc2)cc1Cl 8761229 MSFIFNSELSDPSL-UHFFFAOYSA-N 463.788 5.755 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 10240341 VSJVOAKILVNXAI-UHFFFAOYSA-N 491.842 5.298 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2cccc3ccccc23)cc1 11125719 OQANVMJEPYTGMQ-UHFFFAOYSA-O 490.446 6.503 30 20 JKED Cc1ccc(C)c(SCc2nc3sc(C(=O)Nc4cccc(C#N)c4)c(C)c3c(=O)[nH]2)c1 11374248 RJCJJSVETSNCSH-UHFFFAOYSA-N 460.584 5.326 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(OC)cc1 22731151 DUCCIOJJLMHFLD-UHFFFAOYSA-O 460.406 5.903 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 24449286 UGNUYHHMQYXZKG-UHFFFAOYSA-N 450.485 5.651 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccc(OC)cc2)c1 29097993 JBCHCAZMOGQPPI-LJQANCHMSA-N 499.032 5.563 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(Br)cc1 31616487 FHZPRQXBSOIWNE-UHFFFAOYSA-N 468.380 5.544 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)cc1 60043762 CECLEPDCDBVYAO-LJQANCHMSA-N 454.536 5.486 30 20 JKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 110136812 YZBRRFDFKOESPA-UHFFFAOYSA-N 458.905 5.759 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1F 195677232 OOGDIIWEFDMBRE-MRXNPFEDSA-N 450.539 5.328 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccccc1F 218654030 ZHYHCUDFTNFVFS-OAHLLOKOSA-N 464.522 5.338 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 302984472 UUKSFWYFBQGHKA-JOCHJYFZSA-N 471.630 5.188 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 303030100 XCLGBJHTCYNJNC-UHFFFAOYSA-N 457.408 5.629 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4S[C@@H](C)CC#N)cc3)o2)c1 303351449 NSZSXZLZNGGGGT-SFHVURJKSA-N 454.555 6.359 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 410398977 SKMVJLBQHWVKNH-SFHVURJKSA-N 482.565 5.598 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)C2)c1 480029298 KRJWWLNZWIJCAN-HSZRJFAPSA-N 468.557 5.328 30 20 JKED C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 483292877 HVEHEFNBWGRTBH-HXUWFJFHSA-N 477.539 6.037 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)nnc1-c1cccnc1 494091506 CQLVJRSXWCDRMH-UHFFFAOYSA-N 477.977 5.703 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc2c3ccccc3n(CCC)c2n1 495476235 PODVRMKDUCIUDO-INIZCTEOSA-N 451.621 5.146 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)c2ccc(OC)cc2)c1 498916577 JWUWVPRYKZBHIA-UHFFFAOYSA-N 485.005 5.397 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c(C(F)(F)F)c1 499586948 DOEYWWXMIYZVAD-ZDUSSCGKSA-N 475.540 5.699 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)N(Cc3ccco3)c3ccccc3C#N)CC2)c2ccccc12 500997529 LNSPOBGIQMDHGF-UHFFFAOYSA-N 493.563 5.399 30 20 JKED COc1cccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2c[nH]c3ccccc23)c1OC 503673876 YGNKGUGCOQMVQC-XMMPIXPASA-N 468.557 5.030 30 20 JKED C=CCN(C(=O)Cc1cccc(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 508906838 OZJAWHGOKPUYKS-UHFFFAOYSA-N 458.337 5.243 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 510537354 HQGKZICKDUKUFJ-UHFFFAOYSA-N 472.520 5.224 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(Cn2ccccc2=O)cc1 510825253 GYMWJRXJPVGUAB-UHFFFAOYSA-N 464.525 5.191 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 513340207 HSBNWGXGYDWOPC-UHFFFAOYSA-N 498.608 5.167 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 514779024 IKHIRBDLXMEYBQ-UHFFFAOYSA-N 467.367 5.540 30 20 JKED CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 516384999 PKNQOGDNUHSIBD-UHFFFAOYSA-N 457.599 5.514 30 20 JKED Cc1nc(CCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)oc1-c1ccc(Br)cc1 517491665 BDLFPKFZQAQNLC-NRFANRHFSA-N 480.406 6.024 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1)c1ccccc1 520428872 AOEGPHUOWCEZAA-QAPCUYQASA-N 461.493 6.113 30 20 JKED C=CCn1c(SCc2ccc(Br)s2)nnc1[C@H]1COc2ccccc2O1 520689717 OTPAYOUZNIMLQF-OAHLLOKOSA-N 450.383 5.093 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)c1 521793926 QEWXBXJRDQYOKP-UHFFFAOYSA-N 469.522 5.404 30 20 JKED C=CCN(C(=O)Nc1cccc(COC2CCCCC2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 521808750 LPYQVZFDMDFBJK-FQEVSTJZSA-N 460.582 5.293 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2)c1 524388343 YPLIABXBUMDTBH-UHFFFAOYSA-N 453.523 5.703 30 20 JKED COc1ccc(/C=C2\CCn3c2nc2sc(C)c(-c4ccccc4)c2c3=O)cc1OCCCC#N 551625138 CHBDUOBOENZGNN-LTGZKZEYSA-N 483.593 6.069 30 20 JKED C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)n2)C1 553364313 KRCYKDVQSGJNAG-GOSISDBHSA-N 462.644 5.791 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1 558795853 QFKZOSHUNDUVIB-BDYUSTAISA-N 457.549 5.577 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 569508182 NPHQVLHDGYWLFE-INIZCTEOSA-N 481.480 5.593 30 20 JKED CC(C)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 571779411 RQPZNQWSVQNWLC-QGZVFWFLSA-N 479.410 5.789 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 603638032 FBFAIKJBAWNOGX-UHFFFAOYSA-N 486.959 5.893 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603765763 YHEKCPGIFQFTAV-UHFFFAOYSA-N 465.296 6.268 30 20 JKED C=CCN(CC=C)C(=O)Nc1cccc(NC(=O)c2ccccc2I)c1C 604086285 WYLNHNJAXRJZNB-UHFFFAOYSA-N 475.330 5.058 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(OC(F)F)c1 604142319 IWWSDDZRTNLJCI-VFNWGFHPSA-N 483.902 5.413 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC(F)F 604142539 QFVAMKCTULCNIL-IFMALSPDSA-N 497.929 5.803 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC(Oc2ccc(C(C)C)cc2)CC1 604145695 SYYHKUBFOQKTAZ-UHFFFAOYSA-N 498.583 5.186 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(Cc2ccccc2)nc1C 609060698 BBGWGWUURJYGAN-UHFFFAOYSA-N 453.567 6.054 30 20 JKED COc1ccc(CN2CCC(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1 609078081 BJWFKTIXRRMJFF-UHFFFAOYSA-N 498.627 5.488 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 609078687 IFEJACDBDOVNIQ-RUZDIDTESA-N 453.546 5.841 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nc(=O)ccn3C(C)C)c2C#N)C1 609227762 NHOZNZQAIRXEAS-OAHLLOKOSA-N 458.653 5.029 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(F)c(Br)c1 609439699 LWRHHJMYSRSHPE-CQSZACIVSA-N 482.309 5.068 30 20 JKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 613403114 CQDGQEBDYPDPAP-LBPRGKRZSA-N 454.857 5.866 30 20 JKED N#C[C@@H](C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc2cc(C(F)(F)F)ccc2s1 613404437 NHJPBMCUNIHDCU-NSHDSACASA-N 481.381 5.405 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 615674573 ITGYOMXKKUMUEQ-FQEVSTJZSA-N 475.564 5.474 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 622255340 OSFFZGZCXYOCIU-ZDUSSCGKSA-N 459.474 5.937 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)C(C)C)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 641858432 DIFZIIMUJCUBAP-UHFFFAOYSA-N 466.434 5.531 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 643049479 JDODTRKESCXPPL-IUCAKERBSA-N 484.746 5.323 30 20 JKED C[C@H](Sc1ncccc1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1)C(=O)N1CCCC1 726225078 STGPTTFVEPZTPX-QFIPXVFZSA-N 499.636 5.241 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1 726415817 OQNMGOWQTHTGCB-QFIPXVFZSA-N 481.549 5.366 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCOC(C)(C)C)c1cccs1 726422769 YSABSSPCEIHZJT-IQDFABKFSA-N 477.627 5.092 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc(OC(C)C)cc2)cc1 726574225 OLPJIURPOXMWID-UHFFFAOYSA-O 478.638 5.641 30 20 JKED N#C[C@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nnc2n1CCCCC2 728147802 NCQWWYRYTJWMQA-HSZRJFAPSA-N 471.992 5.470 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CCCCC#N)C2=O)cc1 728780442 TYROCQWGZGWPFZ-RUZDIDTESA-N 498.608 5.697 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2ccc(N(C)C)cc2)c1 728841811 SPIYRJYHRSFZKQ-UHFFFAOYSA-N 484.021 5.064 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1c(C)cccc1C 729630907 FWAVIMHPHSHUAU-HSZRJFAPSA-N 483.597 5.039 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(Cc2ncccc2C)C1=O 729631923 NBJSLYCTNNMSBR-QHCPKHFHSA-N 492.576 5.007 30 20 JKED CCCCc1ccc(N/C(S)=C(/C(=O)c2cc(C(=O)OC)co2)[n+]2cccc(C)c2)cc1 729669146 DEYWCXGSFUGZAV-UHFFFAOYSA-O 451.568 5.056 30 20 JKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)O[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c2c1 730442075 QLVOYXINZRVSTM-MRXNPFEDSA-N 470.916 5.314 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3c(F)cccc3F)cs1)O[C@@H](C)C2 730695757 XKIUJOMAYBRKDX-QXRTWZOPSA-N 480.536 5.790 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cocn3)C2=O)c1 730711455 FRLBIRWRJRVVOR-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2csc3ccccc23)c1 730711864 ITSYFYULPUSSMW-NRFANRHFSA-N 487.610 5.160 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccccc2Sc2ccccc2C#N)C1 730985670 SLTVILKVQQKUQY-IBGZPJMESA-N 465.619 5.476 30 20 JKED C#CCOc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)cc1 731012571 PZBHKBNMTUXXAR-UHFFFAOYSA-N 475.353 5.059 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(F)cc2)cc1 731067695 DXSOEDKSTJTYSE-KRWDZBQOSA-N 464.518 5.808 30 20 JKED Cc1ccc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1NC(=O)c1ccccc1 731074618 QYVNRDVXDBPFSC-IBGZPJMESA-N 487.581 5.437 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCCC1 731076073 USUAJGZGZKIWCP-GOSISDBHSA-N 454.567 5.604 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)cc1 731305783 PGPQWZPJHWEXFS-FQEVSTJZSA-N 465.600 5.231 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O)Nc1cccc(O)c1 731305798 PMRGYWVPWUDUMV-OAQYLSRUSA-N 483.952 5.345 30 20 JKED C[C@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 743470771 YEYDCURQVRTIOU-AWEZNQCLSA-N 469.295 5.052 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)c1 743523695 BCOMWFCZRZURHC-XMMPIXPASA-N 490.604 5.349 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2cccnc2)n(-c2ccccc2C)c1=S 745162576 SAYCCFTYTUXRRT-UHFFFAOYSA-N 452.587 5.291 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S 746055913 KQVLBPFKISMPMD-UHFFFAOYSA-N 460.529 5.026 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccc(C)cc2C)s1 747112026 LPRUDVNPLLKZSG-INIZCTEOSA-N 453.951 5.359 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747601190 DQJCWDSTNVETMZ-QFIPXVFZSA-N 490.585 5.596 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837428162 WFIXOZUEQKYGSC-YADARESESA-N 488.613 5.429 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1 855151693 PBNOYIHLCIWPNO-HXUWFJFHSA-N 478.980 5.002 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nc3ccccc3s2)c1 895474805 RZWLFYYMJGPQGP-UHFFFAOYSA-N 498.029 5.261 30 20 JKED CC(=O)N(c1nc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)cs1)c1ccc(F)cc1F 914557795 KTZIIXDCAFMWNE-MDWZMJQESA-N 467.472 5.939 30 20 JKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCc1cscn1 915086933 YMDPTLRXYYYFHU-QHCPKHFHSA-N 455.539 5.638 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915104081 JTYNNOASTWOFPR-GFCCVEGCSA-N 492.529 5.504 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 915733299 KFHMMSXTHAUQDE-IZLXSDGUSA-N 459.549 5.381 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)c1 916205111 GTMYRXRGCQXYAH-RUZDIDTESA-N 496.592 5.404 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 916452022 QGILFOHINPEJCM-UHFFFAOYSA-N 470.960 5.791 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cc1c(C)[nH]c2ccc(Br)cc12 916898596 CSWUEXBNSKEQJF-INIZCTEOSA-N 488.769 5.099 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908056 KYWSQJAGNRZXEF-SFHVURJKSA-N 485.521 5.655 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 916913055 CTGJRXSAQNCGOY-QHCPKHFHSA-N 499.533 5.248 30 20 JKED N#C[C@H](C(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927917 FORNIFNWCYOTCX-HXUWFJFHSA-N 469.324 5.299 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 916928803 USOIXYNVCJBODM-LJQANCHMSA-N 456.329 5.371 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 916948854 YJHUBFBWRIFZKV-UUOWRZLLSA-N 481.552 5.077 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1 916956112 XUMYMAAEMCJRNK-GQIGUUNPSA-N 490.629 5.315 30 20 JKED Cc1nnc(SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1Cc1ccccc1 916977429 QHVQWKJVAPGJFX-IBGZPJMESA-N 480.018 5.380 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 917663764 GMBRJOCUXNHGAP-UHFFFAOYSA-N 451.454 5.469 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3ccccc3c2)n1 917699824 FHQKLSLPJQIMJL-RUZDIDTESA-N 480.593 5.704 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N([C@H](C)c3ccccn3)C2=O)cc1 917703891 DDCAEEJNBBRPGS-HOYKHHGWSA-N 499.596 5.073 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(F)cc2)ccc1Cl 917778624 ZONCEDXJKVDKHO-UHFFFAOYSA-N 458.942 5.137 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccccc1Cc1ccccc1 919514267 QNKXJWKUAUZSIW-FQEVSTJZSA-N 480.520 5.505 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 920105596 IEHMFLHLSYGWKD-JOCHJYFZSA-N 470.912 5.331 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)n1 920143319 YHXVGIMCJPWKJB-HXUWFJFHSA-N 472.620 6.229 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H]1CCc2cc(F)ccc21 920170263 XZGIVNORGJMAKW-LOSJGSFVSA-N 498.583 5.023 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2c(F)cccc2F)cs1 920806735 OXPXTWBXJQDELG-HNNXBMFYSA-N 469.900 6.206 30 20 JKED O=C(COc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1)Nc1ccccc1 920834196 ZEKDTDNWNDTVMY-XYOKQWHBSA-N 468.412 5.110 30 20 JKED C=CCC[C@@H](NC(=O)N1CCc2c(ncn2-c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 929079903 CIWLCEPMDXCQLM-OAQYLSRUSA-N 454.496 5.666 30 20 JKED N#Cc1cc(NC(=O)c2ccc3c(O)ncnc3c2)ccc1Oc1ccc(C(F)(F)F)cc1 1566137800 PDEIRAXTVFMORS-UHFFFAOYSA-N 450.376 5.270 30 20 JKED N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)cc1 1670997423 WCDDXYUFRFKVLN-KNQAVFIVSA-N 466.950 5.115 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@]4(C)CCCN(C(=O)OC(C)(C)C)C4)CCC3)cc2)C1 1785808711 BIEDXJUHDPNERG-HHHXNRCGSA-N 481.637 5.124 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4S)cc3)CCC2)c1 1785845693 GXKNFBGMKVJGJP-QGZVFWFLSA-N 456.571 5.059 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)NC1(c2ccc(NC(=O)[C@@H](S)C(C)C)cc2)CCC1 1786391470 NAGXATJDSUFJRZ-QFIPXVFZSA-N 485.053 5.252 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CNc4ccccc4C3)CCC2)cc1 1786391689 QWVXMNYINALAKL-CLOONOSVSA-N 465.663 5.140 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)cc4C(F)(F)F)cc3)CCC2)c1 1786606726 ACQSVPOSIKEMJN-UHFFFAOYSA-N 484.453 5.035 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1787268032 WVXLVYBJGSXAIR-UHFFFAOYSA-N 490.563 5.778 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CC5)cc4)CCC3)cc2n1 1787880250 JWPQMCNNDRIDHW-UHFFFAOYSA-N 458.949 5.248 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cnc5cc(Cl)ccn45)cc3)CCC2)cc1 1788383805 GZLQDOZARBXOIV-UHFFFAOYSA-N 497.986 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)cc2)CCC1 1788601482 OHPSKDFKDWCZQL-DENIHFKCSA-N 469.626 5.192 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CCOc3ccc(F)cc3)CCC2)cc1 1788649192 FBOBBXHQLHYHMN-OUKQBFOZSA-N 492.572 5.229 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3nccc4[nH]ccc34)CCC2)cc1 1789508992 ZYMGZIKEILXCKC-UHFFFAOYSA-N 472.665 5.362 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nnc(-c5ccccc5)o4)cc3)CCC2)c1 1789564480 AUACYECXZRWUCE-LJQANCHMSA-N 491.551 5.425 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)o1 1789792366 NUGGDWRNRCDAOL-UHFFFAOYSA-N 472.545 5.012 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OCCCO)cc4)cc3)CCC2)c1 1790059303 LSUAQFBWWPVHAU-NRFANRHFSA-N 497.595 5.136 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCC1 1790312383 CPFUFLNIVHRLGW-UHFFFAOYSA-N 460.496 5.436 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1790567325 HOWKNJWTMDGUQV-KQDNUWKFSA-N 459.546 5.381 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(OC)c3)cc2)CCC1 1790647641 ICAVXVAOQAZGEC-UHFFFAOYSA-N 489.435 5.125 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790946395 CTXDUOTZKNIBBX-UHFFFAOYSA-N 465.553 5.979 30 20 JKED Cc1ccn2c(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@H](C)C#N)c5)CCC4)cc3)cnc2c1 1790974316 KAVVUMAEYNGBLB-HXUWFJFHSA-N 477.568 5.331 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4N)CCC3)cc2)c1 1792122244 HPYOPLFFUXSNQX-XIJQHFHMSA-N 464.569 5.357 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cccc1C(F)(F)F 1792168968 MORMIDVWWIINMP-UHFFFAOYSA-N 466.463 5.275 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C4)cc2n1 1797958259 GAAODLOYVWUETN-KOUNCHBCSA-N 496.127 5.500 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1798333603 BUCRLBWDHLKGSK-UEQSERJNSA-N 469.629 5.835 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)c1 1798417400 DJEVGZMBLPGDJA-QEIWAGNOSA-N 487.720 5.360 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccccc1C(F)(F)F)C2)c1ccccc1 1798555549 XULNIFMYDJBEDT-UEQSERJNSA-N 482.546 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1 1799434952 UVGJEFLTKSCFQR-PZXVYJQKSA-N 496.598 5.080 30 20 JKED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1801167669 ABZRSXWINKCPKY-PYHIPCLTSA-N 496.607 5.029 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(F)cc3)cc1F)C2)C(F)(F)F 1801703673 AEOUAZBGJWEHFO-REPLKXPHSA-N 464.434 5.002 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](CCC)CC1)C2)c1ccc(O)cc1 1802428339 MKWKEJAVLYMFCM-JUZNDPKTSA-N 464.650 5.134 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1802503082 PZFDGAXGSMCDDB-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(OC)cc3Cl)CC2)C1 1804859950 TUZWVWMRULYENK-UHFFFAOYSA-N 461.046 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1c1cccnc1 1809153652 QXQSVYKHFSGDHM-PXDATVDWSA-N 458.606 5.183 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1810271839 IZRCWDFGYVURDT-SIKLNZKXSA-N 488.129 5.167 30 20 JKED CC1(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CCCCC1 1810277334 OZLULCLNINCJRP-UKILVPOCSA-N 467.730 5.109 30 20 JKED CC(C)c1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)CC2)cc1 1810345263 BUUWLMGHKZUVMD-UHFFFAOYSA-N 498.549 5.254 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc3cc[nH]c23)[C@H]1c1cccnc1)c1ccccc1 1810443170 DGURZLIZYZTIHE-ZEZDXWPOSA-N 490.607 5.080 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1810473259 OYPOYOKWVKNHFN-FIBWVYCGSA-N 497.614 5.325 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1811426521 YWLWNPCEJMXLHF-CYFREDJKSA-N 493.394 5.202 30 20 JKED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1811695768 UHJHHAFPAZZSNK-QYXIYQDXSA-N 491.682 5.012 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)c1 1811725768 LAJSQNJEXPOHCR-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812514977 NQSFZNYJEQSYLK-WUBOSGNUSA-N 468.041 5.393 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1812670916 TZBVVYQZMIADSD-OFVILXPXSA-N 491.538 5.405 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1813048770 IFBOHASHNDAYGR-SKCUWOTOSA-N 496.636 5.415 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1)C(F)(F)F 1813220690 DUIIRJJFDYSMKQ-UPVQGACJSA-N 499.577 5.416 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C3(c4ccc(C)cc4)CCCCC3)[C@@H]2c2cccnc2)C1 1813221237 VOFQKPGZGYPFQX-SQHAQQRYSA-N 471.645 5.264 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1Cl 1814589057 FCBVRTFEPQEOLK-JBVUFVISSA-N 482.993 5.178 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2OCCc3ccccc32)n[nH]1 1815130005 JYJJBNCCUHOXMM-XZOQPEGZSA-N 464.610 5.098 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)C(C)(F)F)n[nH]2)cc1C#N 1815338452 NEOBFYLEPAHQPG-IBGZPJMESA-N 487.551 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCNC(=O)OC(C)(C)C)n[nH]1 1815483942 CVMRHTLMHLIFIX-HXUWFJFHSA-N 489.661 5.089 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccco3)no2)n[nH]1 1817833757 WVBNHUCVHPVQLV-FQEVSTJZSA-N 493.640 5.015 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818117587 YWTNWYFKTJTSIU-AVHDXFAHSA-N 476.602 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4sc(C)nc4c3)sc2C1 1818444949 TVSZDFMRDRQNCH-IAGOWNOFSA-N 466.632 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1819305880 QILXUWNTJHQFGK-ZJSXRUAMSA-N 487.579 5.685 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)[nH]n1)c1ccccc1 1819521000 VPIVIQANBPQTTF-NFBKMPQASA-N 473.577 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cnc2OCC)n[nH]1 1819878749 PMIYEFSKXLMIJW-LJQANCHMSA-N 474.005 5.155 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c[nH]1 1820218583 WIYDTXLUIDEVSP-IBGZPJMESA-N 478.984 5.180 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237592 PNNIHWIPSKCJON-RUZDIDTESA-N 490.579 5.505 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(Br)cc2C)n[nH]1 1820315357 AURJEUBRMMXHHE-WFASDCNBSA-N 465.417 5.060 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)c(F)cc3F)n[nH]2)c1 1821067150 ALNBIQFUQNJUFF-RCDICMHDSA-N 481.478 5.074 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)cn1 1821151435 MBXDXOIPGMRNFT-MHZLTWQESA-N 489.579 5.133 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821570068 XVFYLKWETORLJA-LJQANCHMSA-N 473.911 5.129 30 20 JKED C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1)Oc1ccccc1 1821784785 UIZKEQAYGZBYCM-QPPBQGQZSA-N 494.712 5.311 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1)C(F)(F)F 1821995314 VXDGYILVOJXNCV-IBGZPJMESA-N 480.556 5.152 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(OC)cc2F)n[nH]1 1822253749 CXMPPDPWJNLMPO-LLAMVYDOSA-N 466.557 5.031 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)[nH]n1 1822398510 AHLXSXPYTPKQFX-MRXNPFEDSA-N 473.396 5.269 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)[nH]n2)c1 1823210323 CVMHVASJQOSVSA-KOSHJBKYSA-N 485.563 5.214 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)[nH]n2)c1 1823214406 DJXQYZYISAOMGC-YWZLYKJASA-N 472.574 5.199 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)oc2ccccc12 1823215583 XARSFZLKGLRYTE-SBUREZEXSA-N 481.556 5.711 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)[nH]n2)c1 1823218708 UWAWICNQTOYUSA-AVRWGWEMSA-N 480.572 5.067 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1823811672 KIEQFUKRVNXKHZ-LJAQVGFWSA-N 498.671 5.025 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1823813850 CGCJDSKUYKPMIZ-NDEPHWFRSA-N 471.645 5.087 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1823885043 CLLPHMVWKQNTIT-QHCPKHFHSA-N 488.657 5.679 30 20 JKED Cc1scc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1C 1824053001 XXRDZOGRLBTBGP-RUZDIDTESA-N 463.647 5.103 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1 1824053717 BZBREXJEWSHTMP-AREMUKBSSA-N 469.585 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)ccc3c2OCO3)CC1 1824142148 GPKYZLXEMLYXDS-OAQYLSRUSA-N 473.013 5.070 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1824142940 BWFFMMTXAWZOSK-HSZRJFAPSA-N 499.652 5.628 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2OC)CC1 1824317093 OEIXEWCVHYMABL-DEOSSOPVSA-N 454.655 5.240 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1824507962 GVJNTJAVMSTISO-AJTFRIOCSA-N 492.660 5.208 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)ccn1 1825435433 RYNBXAFSZRQLJO-DEOSSOPVSA-N 493.051 5.451 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1826400968 LPCMUQQAWXKOEW-NDEPHWFRSA-N 465.597 5.187 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnn2-c2ccccc2)CC1 1827973045 ZQELVMALUDNIAM-XMMPIXPASA-N 462.638 5.098 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)cc(C(F)(F)F)c1 1828411713 KSEIFXCJSFAYFC-JOCHJYFZSA-N 493.545 5.483 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1828829614 KKAOUVKDPBQUDD-KCHLEUMXSA-N 477.693 5.039 30 20 JKED O=C(c1cc(Cl)sc1Cl)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828997337 IWEKJORMUSBHCR-PYGAFPFSSA-N 482.433 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1829066155 QWWUKTVSYRGSAE-OAQYLSRUSA-N 477.093 5.517 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)CC1 1829418054 WSKNIJHCDKHOOX-FCHUYYIVSA-N 463.544 5.102 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1830633008 ANHHMGZOZYGJPD-AZGAKELHSA-N 490.047 5.369 30 20 JKED CCSc1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720981 QTGZKRMIQTYWDW-QHCPKHFHSA-N 497.064 5.266 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)CC1)C(F)(F)F 1830753832 CXKVXRNSFREBGN-JOCHJYFZSA-N 477.571 5.029 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3O)CC2)c1 1830955080 QXYPPGPHMKQXMS-KBMIEXCESA-N 485.584 5.313 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1)C(F)(F)F 1831453892 QCGXGKCDSRRUFA-QFIPXVFZSA-N 484.518 5.938 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1831846267 YKSUONOMBXMIGP-MZNJEOGPSA-N 472.601 5.183 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1831850644 JHKJIDJAQAAAJE-JOCHJYFZSA-N 465.560 5.125 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 1832757018 OIUVOLDHHWLZPE-LADGPHEKSA-N 491.717 5.294 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1835683244 URXBEGPBKIJPNX-DEOSSOPVSA-N 479.690 5.163 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)CC1 1837671141 LDCZSCCSIOVQAJ-MUUNZHRXSA-N 474.645 5.149 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccnc3SCc3ccccc3)C2)c1 1844586517 FSYGGZNJHQUVSJ-NRFANRHFSA-N 496.636 5.132 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC34CN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C4)sc2c1 1845673814 JEWPACZKXZOLKD-UHFFFAOYSA-N 483.515 5.231 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccccc1OC 10776191 SNFPYQYMAFDLBP-AWEZNQCLSA-N 487.507 6.062 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159284 DEVDOVAOGDHVIG-UHFFFAOYSA-O 481.375 5.676 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(C(C)(C)C)cc2)cc1C 15247681 SOWOYYQODSISNW-UHFFFAOYSA-O 496.494 6.702 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3oc(C)nc3c2)nnc1-c1ccc(Cl)cc1Cl 15581735 JTOCORTVKGYLKN-UHFFFAOYSA-N 474.373 5.618 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 15588352 FZYHKBHYGWDIJU-UHFFFAOYSA-N 455.317 5.447 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(Br)cc1 21927147 NPXJBIAGZAGGEH-UHFFFAOYSA-N 481.778 5.417 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22692941 UAHYGEISEIQUEI-UHFFFAOYSA-O 475.678 6.132 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1C#N 28491487 USAZAYRFUODPGX-MRXNPFEDSA-N 473.554 5.529 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccc(F)cc2)c2nccn2C)cc1OCC 30644564 CURXKZBKKMHDLM-NRFANRHFSA-N 474.374 5.164 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 32785631 YPFKXWLCNFGSCH-OAQYLSRUSA-N 459.619 5.099 30 20 JKED O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 69611296 GQMUYVKOLJDGJQ-UHFFFAOYSA-N 484.371 6.297 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 72041237 ZQWVFRHUYIYQEZ-UHFFFAOYSA-N 455.301 5.418 30 20 JKED N#Cc1cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)ccc1OCC(F)(F)F 107876051 SXGWVIRPORLPBX-UHFFFAOYSA-N 481.474 5.143 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cc(Br)c1OC 108006423 VHFGYYXXPDXVNT-YHYXMXQVSA-N 471.351 5.065 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1[C@@H]1COc2ccccc2O1 115027534 UHFGYDWDWGZTHJ-GCJKJVERSA-N 478.618 5.528 30 20 JKED CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccccc1Sc1ccccc1C#N 215760486 UJAZBXDUWMRGQD-UHFFFAOYSA-N 451.498 5.088 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(COc2ccccc2Cl)n1-c1ccccc1 247637762 FKOUWNHYEJMDLI-UHFFFAOYSA-N 489.988 5.492 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 303184309 LHGXEZUEZLNGSW-MUUNZHRXSA-N 475.548 5.556 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 409548206 IJEXEEBJQZZWPF-GCJKJVERSA-N 461.375 5.454 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c2ccccc2)cc1 480997387 CNAVIPGHKZTKOP-NDEPHWFRSA-N 493.538 5.429 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3csc(Br)c3)cc2F)c1 481622371 IIJWOIOISKDFBO-UHFFFAOYSA-N 460.328 5.422 30 20 JKED C=CCN(C(=O)COc1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491090294 XSLOCJTVLDHNDZ-UHFFFAOYSA-N 484.643 5.109 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cc(OC)c1OC 497808980 LNLXRWSPHRUWJH-UHFFFAOYSA-N 467.497 5.047 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 499451340 HQDIOVNGWBXNCK-UHFFFAOYSA-N 453.564 5.853 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 501157604 CHZHCEMUYXWTHL-QHCPKHFHSA-N 473.523 5.231 30 20 JKED C[C@H](Cc1ccccc1F)NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503315224 MLVGVAJFMGCVDI-SNVBAGLBSA-N 494.798 5.458 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2nc(C)c(SCC#N)s2)cc1 504831872 PPFRRKJKGSKFLT-UHFFFAOYSA-N 475.599 5.110 30 20 JKED O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 505461691 SXPYWMKJEYJSJC-WBMJQRKESA-N 457.349 5.335 30 20 JKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 509212200 QECFQENSUXEZOE-SFHVURJKSA-N 474.586 5.369 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(C)c(OC)c2)nnc1-c1ccc(Cl)cc1Cl 509534071 VPERWKLJTOAKFF-UHFFFAOYSA-N 477.417 5.163 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 511309364 XUKHNYDBOMJJGI-HHHXNRCGSA-N 454.574 5.290 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 512484690 DHIHDJXAJLWRFE-KRWDZBQOSA-N 452.555 5.049 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513870052 UBGBJANCWLINGX-UHFFFAOYSA-N 472.564 5.850 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)N(CCC#N)c1cccc(C)c1C)CC2 515779923 KWYCMMCELVJIND-NDEPHWFRSA-N 489.641 5.277 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(OCCCC#N)c3)c2)c1 516399181 CYTZIRGHYSMDFN-UHFFFAOYSA-N 463.559 5.039 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCOc4c(Cl)cccc43)cc2Cl)cc1 516725468 GFMCPQZHCXMYGY-FQEVSTJZSA-N 482.323 5.236 30 20 JKED COc1ccc2cc(CNC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccc2c1 516737247 LRYSDNSTWIMHLG-UHFFFAOYSA-N 465.509 5.076 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccccc4)cc3OCC(C)C)n2)cc1 518095584 XVMMWJDWTSYHJT-OAQYLSRUSA-N 472.570 5.529 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl 518757181 ZZGNUTRHNXLOMN-KGLIPLIRSA-N 450.391 5.074 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc(-c2c(F)cccc2F)cs1 518871169 YOTCQKDZSWUMQS-OAHLLOKOSA-N 465.506 5.892 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1ccc(C(F)(F)F)cn1 519250827 VZWGPXINEXSHON-LJQANCHMSA-N 475.426 5.577 30 20 JKED C=CCc1ccc(OCC(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(F)c2)c(OC)c1 520502470 AUMDHLOVHGYKNO-AREMUKBSSA-N 452.501 5.114 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 521681651 AYZHZCCFSOIAJA-UHFFFAOYSA-N 457.452 5.813 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 521797971 XAVMURAFIYDTBU-IRXDYDNUSA-N 462.662 5.384 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 521811611 NGMANZJNCVPZKI-ZDUSSCGKSA-N 451.379 5.490 30 20 JKED Cc1csc([C@@H](C#N)C(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)n1 524072675 NIFSEOXDVUZNMA-HNNXBMFYSA-N 484.425 5.654 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 565264431 OHWGATWYZBAHQC-HSZRJFAPSA-N 457.961 5.297 30 20 JKED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1[C@H](C)c1cccs1 588158911 ARFVPDHVKMBIBO-QGZVFWFLSA-N 490.675 5.037 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1)c1ccccc1 591862591 XEHIJIFFCAAKBW-LJQANCHMSA-N 479.483 6.082 30 20 JKED C=CCN(C(=O)COc1cccc(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458847 HXYWWXARKVQSNO-UHFFFAOYSA-N 463.437 5.335 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603818643 WQDIVFVVMZGHKM-UHFFFAOYSA-N 469.570 5.235 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(CCc4ccc(O)cc4)CC3)c2)cc1 603828307 BQNQUMIHZDYDNY-UHFFFAOYSA-N 469.585 5.914 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1Cl 604137563 JXUXMTMHLFDGHO-IFMALSPDSA-N 479.964 5.426 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 604147987 PTGSDTBTWDQUNY-UHFFFAOYSA-N 494.414 5.236 30 20 JKED CCN(C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)[C@@H](C)c1ccc(C#N)cc1 604343312 DPXKZNOUMLBPKW-INIZCTEOSA-N 485.968 5.375 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1nnc(-c2cccs2)n1C 609060368 AGTYICXNGZEWTL-UHFFFAOYSA-N 475.599 5.034 30 20 JKED CS(=O)(=O)Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)oc2ccccc12 609062446 QGFDLOATZSVSSD-UHFFFAOYSA-N 494.956 5.334 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 609378307 BDJJDBLUCXNMJA-UHFFFAOYSA-N 479.524 6.079 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609401796 WZOJODIVSNNKGM-LJQANCHMSA-N 477.508 5.022 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 610926624 VOKLVERWMSFTNE-SANMLTNESA-N 451.526 5.034 30 20 JKED CC1=NN(c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)CC1 613344317 FXDBBGNWTFOZNV-GOSISDBHSA-N 455.370 6.193 30 20 JKED COc1ccc([C@H](NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2)cc1 619670480 VCALNWDMIGYUDN-JXXFODFXSA-N 492.435 6.132 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 620304154 FGRMSIMCMSFUSY-OAHLLOKOSA-N 485.512 6.061 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 623050364 BXKTXVGEQYBHAU-LEWJYISDSA-N 477.678 5.004 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\CCc3ccccn3)N(Cc3ccc(C)s3)C2=O)c1 726107797 IELSYFAAQQMMGE-PQHDRGKASA-N 492.670 5.140 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)nc2ccccc21 726307136 MCABSJPHXFGYBH-BVAGGSTKSA-N 477.568 5.014 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc2cc(Cl)ccc2s1 726322604 MXDYIJBMIXQIII-AWEZNQCLSA-N 453.932 5.221 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726392860 KTOIVGCSSGYBHF-TZIWHRDSSA-N 488.535 5.042 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CC[C@@H](C)OC)C2=O)cc1 726400824 RTPUTMUWGBFAGO-IERDGZPVSA-N 490.025 5.124 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N/[C@@H](C)c2cccs2)n1 726418509 DKCFCDGHBQAILG-VBUNTTMDSA-N 482.606 5.181 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726696796 VAXVRALIIQMAGC-RUZDIDTESA-N 476.527 5.734 30 20 JKED COc1ccc(OCc2nc(/C=C3/Cc4c(F)cc(Br)cc4C3=O)cs2)cc1 727780830 UNKPFVBQMCLDMB-SDQBBNPISA-N 460.324 5.455 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 728422343 AHQQEGYNBZNGGT-YADARESESA-N 483.597 5.292 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCCCC#N)C2=O)cc1Cl 728777509 LAGMXWQWWLUZOC-FQEVSTJZSA-N 454.983 5.303 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CCCCC#N)c1cccs1 728778787 UUORZQNJAVWVNC-SMTGWPMVSA-N 493.029 5.624 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)c1 729144745 DXQUVRFGVYIHIT-OAQYLSRUSA-N 489.626 5.101 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1scnc1C 729144856 ZOSWZYOIGHAIMC-HXUWFJFHSA-N 489.626 5.101 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)c1 729631428 IXJKGASTPVVZBS-QFIPXVFZSA-N 480.540 5.137 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2C2CCC2)cn1 730461765 HNDJYUFJLORYFI-HSZRJFAPSA-N 489.601 5.208 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cocn2)c1 730727626 SYRKUTBQTSAFBL-OAQYLSRUSA-N 466.538 5.098 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 731059671 IWWFPHZJVYQDMY-IMOWGURISA-N 491.451 5.154 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c3c2CCCC3)cc1 731136644 SQRYDYOWLICBPD-XMMPIXPASA-N 490.563 5.813 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(C)c(F)c1 731308066 IXYCITRYUPVFEU-HSZRJFAPSA-N 493.560 5.009 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c1 731309958 YJNLBLVLFGGTHI-NRFANRHFSA-N 465.600 5.177 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 731348957 DANIMCNVIGHFTH-HNNXBMFYSA-N 490.585 5.460 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)cc1 742275707 IPJPAKWUNFAWHG-UHFFFAOYSA-N 463.560 5.393 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2Br)no1 743441259 KGSUOASWEREUJP-GOSISDBHSA-N 492.329 5.320 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc3cccnc23)c1 744993737 MJVRFNFYURYWSH-XMMPIXPASA-N 496.592 5.404 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccc3cccnc23)C1=O)Nc1ccccc1 744993780 OQINDOITQIHNKT-HSZRJFAPSA-N 484.556 5.534 30 20 JKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 745844583 WSKZJCUNWWUNCI-UHFFFAOYSA-N 471.439 5.053 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cccc1C 746694948 AIMPJITZKPHTNR-NRFANRHFSA-N 471.598 5.220 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(CCOC(C)(C)C)C1=O 746697743 KXXRUIHYMKFBHV-QFIPXVFZSA-N 483.634 5.087 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2cscn2)C1=O 747598275 ALZKZIIJYUAOCE-JOCHJYFZSA-N 494.642 5.401 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccnc(Oc3ccccc3)c2)n(Cc2ccc(F)cc2)c1C 749293194 PBROKURUDVIOIZ-UHFFFAOYSA-N 498.514 5.147 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C1=O)NC1CC1 750917999 ZQBWKBNRDGCJHJ-SXLOBPIMSA-N 491.510 5.001 30 20 JKED C[C@H](OC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)C(=O)Nc1ccccc1C#N 763076896 ZLPICXGTZDOYTG-KRWDZBQOSA-N 455.489 5.349 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CC(F)(F)F)C2=O)c1 799223749 VFAVKPPMBZIZKS-SFHVURJKSA-N 467.488 5.274 30 20 JKED C[C@@H](Cc1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1)N(C)C(=O)OC(C)(C)C 904657605 SZBMYHQHBYXZLN-HNNXBMFYSA-N 452.486 5.338 30 20 JKED C=C(Cl)CSc1nc(C)c(Cc2nc([C@H]3CCCN3C(=O)OC(C)(C)C)no2)s1 904704462 KTPRJQSSTAOFDW-CYBMUJFWSA-N 457.021 5.342 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2nnc(-c3ccccc3)n2C)cs1 915968294 GJFWMXWIKMRXQR-UHFFFAOYSA-N 485.495 5.088 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=O)COc2cccc(C#N)c2)c1C(=O)N1CCCCC1 916108585 SPPIDOQQPULHJC-UHFFFAOYSA-N 459.571 5.239 30 20 JKED COc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916137131 OWABBCDITOJQFD-PDGQHHTCSA-N 467.443 5.554 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 916211210 LJRANJKLANFYLZ-SFHVURJKSA-N 480.417 5.380 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C)cc1 916211747 GACOBEPDAKTYNG-NRFANRHFSA-N 490.025 5.044 30 20 JKED CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1OCC(=O)N(C)C 916680904 MPIFNXSRNJCNLS-RPBOFIJWSA-N 470.573 5.082 30 20 JKED CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1CCCCCC(=O)O 916724096 ONQPMASCNVKFNS-XMMPIXPASA-N 494.979 5.144 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1ccc2ccccc2n1 916848755 PJSWDJSMKGZBGR-SFHVURJKSA-N 452.564 5.875 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1nccn1-c1cccc(Cl)c1C 916906271 GTSMKYXIQQBFKR-IBGZPJMESA-N 481.021 5.399 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 916913577 XJBWWOFRCRWPGD-SFHVURJKSA-N 496.748 5.316 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916917110 DSNISAQQFXLSJA-XMMPIXPASA-N 454.913 6.033 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 916937265 BQSRQWFUBOBVAB-IBGZPJMESA-N 499.350 5.551 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916945533 WTWPYJWXGIYBKV-HNNXBMFYSA-N 450.734 5.731 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 916951250 XYSJBIGZGRFSPG-KOSHJBKYSA-N 453.542 5.722 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2n1C(F)F 917430230 HTLQRVZKHGLDQK-LBPRGKRZSA-N 493.358 5.798 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cs1 917560630 UAQQEXRQPXRHGO-LVAJTGTJSA-N 463.490 5.705 30 20 JKED COc1ccc(NC(=S)Nc2ccccc2C#N)cc1NC(=O)c1ccc(Cl)cc1F 917589976 NMDMVZMTEIBYHW-UHFFFAOYSA-N 454.914 5.421 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)N[C@H](C)c2ccccc2)[n+]2ccc3c(c2)CCCC3)N=C1C 917611440 DGEKTVZFDRTQHF-GOSISDBHSA-O 474.650 5.409 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)cc1 917681032 LFLPUURZPSZCSZ-OAQYLSRUSA-N 482.606 5.114 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)cn2)c1 918566335 PAOCOZPBRMRJTQ-VWLOTQADSA-N 461.477 5.452 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](NC(C)=O)c3ccc(Br)cc3)n2)cc1 920140581 AHONEVRKHJONLO-VQTJNVASSA-N 498.402 5.025 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)n2)cc1 920144020 WEHBJMCRXROBIS-VXKWHMMOSA-N 461.587 5.148 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1C 920144177 YMRBSRTUOSMIJA-KRWDZBQOSA-N 475.624 5.662 30 20 JKED COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCc1c(C)noc1C 920268663 OQUKEWWJBFPCEH-PEAOBZDDSA-N 486.553 5.287 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccc(C)c(C)c2)no1 920353046 ZTZHSJHESLSEJN-QFIPXVFZSA-N 497.020 5.722 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 920360583 YVMCLWJTVYAGHE-QHCPKHFHSA-N 492.576 5.080 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc(-c2c(F)cccc2F)cs1 920806781 PRAQLZCLDSGZCU-AEFFLSMTSA-N 473.504 5.471 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc(-c2c(F)cccc2F)cs1 920806913 SODCQDKKLBDWEI-CVDCTZTESA-N 486.499 6.033 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 924644939 RUCPYGRWZRYCQA-ZBLYBZFDSA-N 496.563 5.250 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4occc4Br)CCC3)cc2)c1 1786040960 XBYDTIZCGZAPLK-UHFFFAOYSA-N 492.373 5.294 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCC(=O)OC(C)(C)C)cc2)CCC1 1786162593 OFRAQRVTLPFJQA-JOCHJYFZSA-N 454.611 5.401 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1 1786330738 HNNJAJJYKWMPDR-KAYWLYCHSA-N 479.580 5.313 30 20 JKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cn1 1786941481 ZFQZKSLICCDVII-UHFFFAOYSA-N 482.584 5.039 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3C(F)(F)F)cc2)CCC1 1787351159 LJUIIGSGXXFZBA-LJQANCHMSA-N 457.496 5.617 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(C2(NC(=O)[C@@H](S)C(C)C)CCC2)cc1 1788507915 XSWUYFALZYFQQO-QFIPXVFZSA-N 485.053 5.252 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3scnc3C3CC3)CCC2)cc1 1788649616 UWOXATYCPRAMHC-ZHACJKMWSA-N 477.611 5.269 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3occc3C)cc2)CCC1 1788692317 JKAGHFYRBCZBBV-QFIPXVFZSA-N 493.604 5.033 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)c1Cl 1789014361 LIDKNOYNXCGXOH-UHFFFAOYSA-N 480.955 5.821 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncncc5c4)cc3)CCC2)c1 1789324146 GVWFIGDRLZMGOW-LJQANCHMSA-N 475.552 5.318 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)c1 1789324533 QFRXERVQMBGNOW-UHFFFAOYSA-N 474.564 5.487 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4cccnc4)c3)CCC2)cc1 1789507724 PNIXIMYAJLEWHR-UHFFFAOYSA-N 499.691 5.066 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)c(F)c1 1789577083 SJSIFNKMPGJQDW-MUFRIFMGSA-N 477.536 5.073 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3C)CCC2)cc1)c1ccccc1 1789602531 UHBQEENDOHLFFP-DEOSSOPVSA-N 455.558 5.236 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1 1790513640 HZSZUTNBWAIPPP-UHFFFAOYSA-N 492.469 5.102 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3=CCCC3)CCC2)cc1 1790519339 KRIWEUILDBLFHR-QFIPXVFZSA-N 467.610 5.090 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(Cl)c3)CCC2)cc1 1790567805 PQSPIMYZSCGRJA-SFHVURJKSA-N 486.012 5.676 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5n4)CCC3)cc2)c(Cl)c1 1790767183 MSPZJIRKRYGXOQ-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)cc2)CCC1 1790817207 OARJMRGBASWLJT-INIZCTEOSA-N 476.495 5.053 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc4ccoc4cn3)cc2)CCC1 1790832387 PNUYAEYVRMXVGD-CMDGGOBGSA-N 471.538 5.076 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cccs4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682117 MFLBMUULVBMIKT-FQEVSTJZSA-N 481.618 5.061 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)c1 1792122185 KWTBFTQUHVJTBG-INIZCTEOSA-N 493.394 6.077 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccccn45)CCC3)cc2)c1 1792123872 SGISAPQOODREPY-IBGZPJMESA-N 463.541 5.023 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC(=O)Nc4ccc(F)cc4)CCC3)cc2)c1 1792124755 GRDAJVIIQWYYLO-LJQANCHMSA-N 498.558 5.229 30 20 JKED CNc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cc1 1792168247 DLHDDFTZYBVMBV-UHFFFAOYSA-N 482.584 5.449 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Cc4ccncc4)CCC3)cc2)cc1C#N 1792168870 JFUUUWWAXICARQ-OAQYLSRUSA-N 496.611 5.367 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3CC(C)(C)C3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204566 IRJLYCDTSBRBAR-QFIPXVFZSA-N 483.653 5.416 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)cc1 1792482943 ZDMNITVPIHGMQI-OOSCYNTBSA-N 499.561 5.388 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CCCC1)C2 1792572854 XZBARZCQJWCQFX-BJESRGMDSA-N 489.701 5.091 30 20 JKED Cc1cnc(Cl)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#Cc4ccccc4)cc2)C3)c1 1795346890 BRNNXDOFQGOMLZ-QEIWAGNOSA-N 483.999 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn(-c3ccccc3)c1C(F)(F)F)C2 1798593056 JKZZYUJDOKWNEP-FNLKRUPLSA-N 488.554 5.135 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cccc(Cc4cccc(F)c4)c3)[C@H]2c2cccnc2)C1 1802417672 KASZTHIAXJTEOB-NAKRPHOHSA-N 483.587 5.097 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1802437200 LTBSZACXVJUGEM-VYWDTDEQSA-N 493.749 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1802948064 XPINNNLJNKCUCB-LEAFIULHSA-N 484.644 5.261 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1803084627 UJGAOCKCBMUZBJ-GIGWZHCTSA-N 496.655 5.389 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccccc4)CCCC2)C3)cc1C#N 1803840480 YERJHZOXUDRJGG-OOSCYNTBSA-N 485.628 5.109 30 20 JKED Cc1csc(CCC(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1804527751 RWIDZKTVLCEFHR-WNCULLNHSA-N 495.765 5.141 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc5cccc(F)c5s4)CC3)C2)c1 1805328317 OPCWDWVKNYLZDL-UHFFFAOYSA-N 489.616 5.390 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)C1 1805457817 YRZBGFCVHVFMPJ-UHFFFAOYSA-N 450.957 5.231 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1807840343 CUYNFAASPMCLFF-IWVFXYMLSA-N 494.639 5.540 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1808464509 XERHKELSEIGAIC-NOZRDPDXSA-N 486.616 5.357 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)C1)c1ccccc1 1809163470 QOTSVEFSNGWXQX-QFQXNSOFSA-N 497.643 5.109 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)sc3Cl)[C@@H]2c2cccnc2)cc1 1811362606 RRTCYIZKHZHPDQ-GHTZIAJQSA-N 499.423 5.149 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1812756247 ZSKXFVPYHIOHEW-AQHOXQCLSA-N 489.736 5.251 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1813057982 KEMKKGAULPPMHC-RLWLMLJZSA-N 461.650 5.572 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@H]1c1cccnc1 1813222729 KSAWBDJGZMGNEP-DVHLBBAASA-N 459.634 5.111 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)[nH]n1 1814440090 JMTSQOOHZRQWMT-NRFANRHFSA-N 482.625 5.044 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815684877 WGOLJUFNIKYTJM-QFIPXVFZSA-N 471.001 5.108 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)nn2-c2ccccc2)n[nH]1 1818139827 VTCZPANLKGORSE-QFIPXVFZSA-N 474.609 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)n[nH]1 1818161418 PEPMADLCQLMMBU-FQEVSTJZSA-N 492.649 5.535 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)c1 1819078511 DKOJPUOHGRIXBX-HXUWFJFHSA-N 491.523 5.394 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819154738 CSKXKDYRLGSEBP-OAQYLSRUSA-N 493.709 5.376 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1 1820486564 SITICQBKMDTOID-XMMPIXPASA-N 487.629 5.219 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)c1 1820589411 HVMQWJBTBKDLGP-ZHRRBRCNSA-N 495.505 5.675 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c(Cl)c1 1821183286 UVRZJWDQKIAJMP-QFIPXVFZSA-N 461.953 5.057 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4c(Cl)ccnc4c3)n[nH]2)c1 1821385706 UJVHYBDAYGDESU-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1821986843 PAICMXAUVKVJCP-MRXNPFEDSA-N 462.497 5.281 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1821988595 YNZFZOCXDADOHW-INIZCTEOSA-N 489.504 5.050 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1822400531 QFTZCOXMHKQVPG-IBGZPJMESA-N 452.942 5.107 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212209 GSGWHDLGBVBCDG-JTSKRJEESA-N 488.617 5.163 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1824053048 APWITVOEQSLUEW-QHCPKHFHSA-N 499.442 5.126 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1824144095 ZOKIWCYOEATVHY-HXUWFJFHSA-N 451.533 5.035 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1824545714 YDRBEFJCAQHYLQ-UXHICEINSA-N 474.564 5.032 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1 1824760115 CGEDZAHGNOVFHN-DQEYMECFSA-N 497.680 5.006 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccc3ccccc23)CC1 1824957432 YFVSSYRWVTVHEU-QHCPKHFHSA-N 470.560 5.050 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)s1 1825791593 YDPWKNPFRFNZFG-HXUWFJFHSA-N 456.011 5.129 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1827298776 XHDUZLVAXUHRQK-DEOSSOPVSA-N 493.051 5.451 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)oc2ccccc12 1828126839 BUNOKNBGTBCJHN-XMMPIXPASA-N 455.558 5.160 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2F)CC1 1828452524 XTVKCWDNSARKSX-SANMLTNESA-N 470.629 5.155 30 20 JKED CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CCC1 1828478485 JPGYUHQWZARJJO-DEOSSOPVSA-N 465.638 5.159 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)c1 1828515334 OZXWAGAWOIVGAQ-VWLOTQADSA-N 494.517 5.004 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)ccc1F 1828553152 CLVFCPXLQVCJTF-OAQYLSRUSA-N 495.645 5.450 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1828821376 LVCAYCBQCYGDIC-ZEQRLZLVSA-N 489.701 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 1828826792 MGWZHOGSNAAWGE-IFMALSPDSA-N 467.635 5.405 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc3ncccc23)CC1 1829068453 XEBAFVXEGJEKMD-SANMLTNESA-N 461.650 5.389 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1830416946 UZTHLQUKKUZUKJ-VFQSNTGXSA-N 459.675 5.014 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c(Cl)c1 1830486302 QBDUIXSISUIKTA-HSZRJFAPSA-N 488.390 5.551 30 20 JKED Cc1nc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)o1 1830601571 CQEFYIFBPJIKMO-MUUNZHRXSA-N 495.623 5.238 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)c1 1830716600 CFTFQQYNXYSGPY-RUZDIDTESA-N 481.999 5.217 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1830717963 BEQHKDGEQVAPFR-DEOSSOPVSA-N 493.966 5.644 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c(Cl)c1 1830720524 AOZORSLJZCCGHQ-RUZDIDTESA-N 476.020 5.177 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)cc2s1 1830890075 MZQYGDKVKIAYKI-DEOSSOPVSA-N 474.630 5.151 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)sc2c1 1830981042 ZXPNTIBKPGAPIV-VWLOTQADSA-N 485.653 5.823 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1832029842 SIARKUVJNMZKRO-NDEPHWFRSA-N 495.667 6.033 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832688079 LEBGMXPZNZXPSH-FQEVSTJZSA-N 450.957 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)CC1 1835817103 SXUQIFBVQYNWAH-UHFFFAOYSA-N 497.083 5.066 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(Br)cccc3c2)C1 1844095067 QSSQMJWRXZWFBS-FQEVSTJZSA-N 467.407 5.188 30 20 JKED C=C1CC(C(=O)N2CC3(CCCN3C(=O)[C@H](c3ccc(OCc4ccccc4)cc3)C(C)C)C2)C1 1846247066 BWJCFQIATLRCAM-MHZLTWQESA-N 472.629 5.175 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)Nc2cc(Cl)ccc2F)cc1 9072733 GAQDHNFKKOBLOZ-UHFFFAOYSA-N 454.910 5.439 30 20 JKED Cc1sc2nc(SCC(=O)Nc3sccc3C#N)n(-c3ccc(Cl)cc3)c(=O)c2c1C 9666910 YEZYCDGRBDRRFD-UHFFFAOYSA-N 487.031 5.381 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccccc2CC)cc1 10173771 JCWVNNBDYVYIGZ-UHFFFAOYSA-O 474.433 6.293 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2 10174329 SFTRLOSBHSFUJY-UHFFFAOYSA-O 451.562 5.744 30 20 JKED C=CCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)SC1=S 15188197 IBDUKTKVOOOTAM-DHDCSXOGSA-N 469.535 5.234 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccc(OC)cc1 16864976 GMGOGAYKFDYCEC-AWEZNQCLSA-N 473.396 5.022 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nnc1-c1cccnc1 18404918 VLVSWRHFXVMVJN-NRFANRHFSA-N 496.423 6.305 30 20 JKED C#CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1OCC 21841721 UVFFNPXBILICIU-ATVHPVEESA-N 474.369 5.591 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1 23328187 ZLWDNDVGPBBDAZ-FQEVSTJZSA-N 493.702 5.823 30 20 JKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1 23419423 AXJOBDDYNKLKQS-GOSISDBHSA-N 472.655 5.373 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CC)c2ccccc2)nnc1-c1ccc(Br)cc1 23538723 SGEZPFKOMIFCSX-MRXNPFEDSA-N 471.424 5.427 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCc3sccc3C2)nc2cc(-c3ccccc3)sc2c1=O 25405497 GPGJTUXRSXNGEH-INIZCTEOSA-N 493.679 5.438 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 29807684 GLYFFESGGHZFQW-UHFFFAOYSA-N 485.034 5.608 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1Br 32786533 ARUUDSBZNPEXIP-INIZCTEOSA-N 471.424 5.245 30 20 JKED C=CCn1c(SCC(=O)NCc2ccccn2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 110655308 BKGWRJUYANWSFS-GOSISDBHSA-N 481.691 5.147 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccccc3Br)o2)c2ccccc21 115038444 FTQBEXLVNHELEQ-UHFFFAOYSA-N 467.348 5.342 30 20 JKED C[C@@H](COc1cccc(F)c1)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 117703582 FOARESOHSDNDHT-LBPRGKRZSA-N 475.364 5.246 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)c1 409481146 ZZGZJTQBLJDLDG-AREMUKBSSA-N 491.595 5.232 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 409799378 WDJLYQATRDKQKY-GOSISDBHSA-N 495.626 5.357 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(OCc2ccccn2)c1 481569870 HQEIDZODZZEPBB-HXUWFJFHSA-N 496.542 6.133 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)n1 481710120 FVVAVGKGYNOGOU-UHFFFAOYSA-N 485.519 5.253 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)s1 498003750 XGWXVNBHYVUMHR-UHFFFAOYSA-N 474.586 5.455 30 20 JKED N#CCCCOc1cccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)c1 498785560 VQRAXRFLZMKKBB-UHFFFAOYSA-N 454.324 5.358 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cc(Br)ccc2F)cc1 500287783 KXLNOJJAWJIUIS-UHFFFAOYSA-N 475.339 5.034 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(Oc2ccccc2)nc1 503035264 SOYPGCLGIYFLFA-UHFFFAOYSA-N 450.498 6.168 30 20 JKED C=CCOc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)c1 509109028 KPNOXGZGWIXOLS-UHFFFAOYSA-N 455.514 5.374 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 509508500 NLUBYPAAEXMFFR-UHFFFAOYSA-N 466.585 5.505 30 20 JKED COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 510029977 UJVUVBYXTSIXSR-UHFFFAOYSA-N 466.506 5.038 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 512541698 WJAWQBXFQKJOPG-UHFFFAOYSA-N 473.573 5.020 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 513269986 YGFRHVQFBIHHGM-FQEVSTJZSA-N 471.488 6.029 30 20 JKED C[C@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 513337244 FMFYPAMPFPWFNU-HOTGVXAUSA-N 466.632 5.737 30 20 JKED CCc1ccc(-c2csc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 513785541 OJTCJWKPFQRTAL-UHFFFAOYSA-N 473.558 5.347 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)CC2)cc1 515231200 NWUKOAVVWKGHCU-UHFFFAOYSA-N 481.625 5.499 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 516714108 PZIGAWLJGWESGD-HXUWFJFHSA-N 482.613 6.103 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3cccc(Cl)c3)CC2)c1 517079056 GLDSRGFVMGMIEP-BQQUOAEZSA-N 492.019 5.055 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 520183746 MSGYJZYBMDPWPE-ZDUSSCGKSA-N 466.397 6.347 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1Cl 521072149 NTWSFJQGRQYECL-DEOSSOPVSA-N 479.024 5.688 30 20 JKED Cc1cccc(COc2ccc([C@@H](C)NC(=O)C(=O)Nc3ccccc3SCCC#N)cc2)c1 521740332 TXXIWXNSLPHLNW-HXUWFJFHSA-N 473.598 5.396 30 20 JKED Cc1nnc(Sc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)c(C)c2)s1 522569385 NIFBHFRCGPQUCD-UHFFFAOYSA-N 462.556 5.602 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1Cl 556301223 ZSYLOXZZUPCJOJ-VWLOTQADSA-N 495.970 5.964 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)c1 594662641 MYXQWPVIZNJTMT-IVLZGPIQSA-N 477.608 5.120 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 603822173 LOYJMQDMGVEGAI-RUYXUALKSA-N 499.455 6.363 30 20 JKED C[C@@H](c1ccccc1)n1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1 603917232 HUAQZDPEKSYTES-IBGZPJMESA-N 453.571 5.547 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)n1 604003176 IJAHCCNUDUZRGR-UHFFFAOYSA-N 470.554 5.568 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](Cc3ccccc3Cl)c3ccccc3)cn2)c1 604488491 IAVQPYNJEULDDY-VWLOTQADSA-N 496.954 5.438 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cc1 609020935 XQVAXFSYRPFKLN-UHFFFAOYSA-N 468.513 5.959 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc1 609024527 PDDZEFRZVZQFMR-UHFFFAOYSA-N 462.987 6.275 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 609072733 YBRXYCTYMRFJML-MHZLTWQESA-N 491.547 5.245 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1cccc(Br)c1 609079080 IGGPBVITRQGEJB-RUZDIDTESA-N 490.401 6.577 30 20 JKED COc1cccc([C@H](CNC(=O)c2cc3ccccc3n2CC#N)c2c[nH]c3ccccc23)c1OC 609162077 WMCABHXVTBNDNR-QHCPKHFHSA-N 478.552 5.225 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1 609208457 XTVOZRACHHSZQV-UHFFFAOYSA-N 494.555 5.556 30 20 JKED CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CCN(C(=O)c2ccccc2)CC1 609433668 BAQNBKCTXVRZDL-UHFFFAOYSA-N 454.530 5.119 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 609436202 JDOQDSNNMBMDPU-FQEVSTJZSA-N 457.599 5.358 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612804111 AAKVJOJOMQCADY-GJZGRUSLSA-N 494.455 5.699 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 613345996 AZCWZKRMDUZHGM-QGZVFWFLSA-N 482.348 5.389 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 614385650 IICJDPCYRWXWTP-KRWDZBQOSA-N 495.988 6.715 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 615497508 LZKHTODVKVTCLB-PMACEKPBSA-N 495.620 5.336 30 20 JKED O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618465831 ZIMHUSVGKFCNIU-HTQZYQBOSA-N 463.749 5.110 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 620304271 QRQULOZDNPZYLT-OAHLLOKOSA-N 471.554 5.195 30 20 JKED O=C(c1ccncc1C(F)(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518100 WFTPVHPVRSDCET-OAHLLOKOSA-N 472.307 5.352 30 20 JKED O=C(NCc1ccc(Oc2cccc(F)c2)nc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623654399 AWEZWXRHWWISIK-FOLVSLTJSA-N 479.396 5.722 30 20 JKED O=C(CCc1ccc(-c2ccccc2F)o1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642158898 XJMHVXCOUASANI-WDNDVIMCSA-N 451.382 6.044 30 20 JKED C=CCN(C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1nc(-c2ccccc2)cs1 643111250 FDCALEUHMNHFGB-UHFFFAOYSA-N 478.574 5.420 30 20 JKED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CCCC2)C1=O)Nc1cccc(Cl)c1Cl 726107426 CRAVPEFPIHKJSW-ZCVHIRLZSA-N 491.444 5.202 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 726393115 LPKIONUNZLALED-MGPUTAFESA-N 494.444 5.056 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)cc(C)c1 726399229 MXPWCGKLOGGFJC-OFNKIYASSA-N 467.635 5.306 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CC(F)(F)F)c1 726410001 GCLPGJIZMUBJED-KRWDZBQOSA-N 499.436 5.209 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 726428331 KBEYHJDKJXMQJC-RVDMUPIBSA-N 481.552 5.470 30 20 JKED COc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)c(OC)c1 726570562 GFNWXNHWFDCOBJ-UHFFFAOYSA-O 466.970 5.148 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(C#N)c(Cl)c2)c1 726570706 ISLYRFGRSAWFSF-UHFFFAOYSA-O 492.024 5.537 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1Cl 726571375 FTUCWBVSADJGTJ-UHFFFAOYSA-O 483.016 6.413 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(N3CCCC3=O)cc2)[n+]2ccc3c(c2)CCCC3)c1 726572614 DMPSUYKKUFEZST-UHFFFAOYSA-O 494.640 5.284 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)cc2OC)[n+]2ccc(C(C)(C)C)cc2)c1 726573102 ZPWFJJOPZOSOSS-UHFFFAOYSA-O 473.618 5.593 30 20 JKED C=CCn1c(C2CC2)nn(CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1=S 726591750 MMVWBQSMGGTPQD-QGZVFWFLSA-N 457.003 5.018 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 726716382 JEKGZCWNFMZBGE-HXUWFJFHSA-N 485.487 5.746 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CC(F)(F)F)c1 726886108 MUPZOISPLRSPFP-IBGZPJMESA-N 495.523 5.007 30 20 JKED N#CCSc1ccccc1C(=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 728279771 FVKJOLFREOYJMQ-UHFFFAOYSA-N 469.031 6.057 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccc(Cl)cc2)n1 728423811 WNTNBIUYZWRIOQ-QFIPXVFZSA-N 489.988 5.076 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccsc2)c1Cl 728429284 GTQOALYUXRUTDC-HNNXBMFYSA-N 468.431 5.164 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 728778975 WGYNRMZUJLEYPL-IBGZPJMESA-N 474.508 5.360 30 20 JKED CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 728839085 XJCDURYCHKZYHC-UHFFFAOYSA-N 457.452 5.001 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 730442370 UVMHIVBQSOCKKJ-RUZDIDTESA-N 498.608 5.648 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CCC3)C2=O)cc1 730459041 FMZAVCIKVIEUNP-LJQANCHMSA-N 472.492 5.090 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 730685991 LELBDFBJUIFRDI-OAHLLOKOSA-N 455.461 5.629 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1[C@@H](C)CCc1ccco1 730713539 SZFAQMYDTLUDMC-MGPUTAFESA-N 498.008 5.013 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 730718801 PVVBUAGUDCBRLC-UZLBHIALSA-N 479.631 5.130 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1F 730720413 KAERUIBFKPUKLJ-OFNKIYASSA-N 495.555 5.112 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 731074060 MNPGRKQOXIUPBP-IBGZPJMESA-N 488.613 5.466 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C[C@@H]1CCOc2ccccc21 731153044 WNAWUYZKXFRGHC-CPJSRVTESA-N 496.592 5.085 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 743525005 OFAXCGIWLFELMX-LGVFNWMJSA-N 494.636 5.030 30 20 JKED COc1cc(C(=O)/C=C/c2cccc(OCc3cccc(C#N)c3)c2)ccc1S(=O)(=O)C(F)F 747066760 ODRDYFNMWYTFEK-CSKARUKUSA-N 483.492 5.038 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2ccccc2)C=C1 749658059 KUTBCFPMDIIVIJ-UHFFFAOYSA-O 463.579 5.346 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)nnc1-c1ccccc1 750391311 GAVPKWDZZOSYHL-DOTOQJQBSA-N 467.982 5.009 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)c4ccccn4)c3C#N)C(C)(C)C2)o1 797541693 VJCLYPHDYATBTQ-NTMALXAHSA-N 473.554 5.490 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N([C@H](C)c2ccccn2)C1=O 837299457 ISKMQRMCXIOJQP-JPYJTQIMSA-N 474.586 5.120 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1cccc(N2CCCC2=O)c1)[n+]1ccc(C(CC)CC)cc1 912836567 RLMJHJBMGOOJSV-UHFFFAOYSA-O 464.655 5.381 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc([C@@H](C#N)c5ccccc5)cc4)CC3)c2c1C 915087941 YMLSIFXVPZWPMB-DEOSSOPVSA-N 481.625 5.819 30 20 JKED COc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1OC 916054926 GAWXPRQIOLFUFC-VMPITWQZSA-N 473.476 5.293 30 20 JKED N#Cc1ccc(/C=C(/Cl)c2nc(=O)c3cc(Br)cc(Br)c3[nH]2)cc1 916127457 WHNMZOVJUHHHDE-LHHJGKSTSA-N 465.532 5.057 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2Cc2ccco2)c1 916206660 RGUAOMLSELNFEQ-NRFANRHFSA-N 499.976 5.111 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@H]2CCCO2)c(C)c1 916206920 AXUSVMQGWQPGOF-OFNKIYASSA-N 465.619 5.060 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 916246218 LXJXUZFOMCWKSW-UHFFFAOYSA-N 468.779 5.115 30 20 JKED COc1ccc(OCc2nnc(S)n2N=Cc2c(-c3ccccc3)[nH]c3ccccc23)cc1 916592568 OVJMSUUTNLOHIF-UHFFFAOYSA-N 455.543 5.185 30 20 JKED N#C[C@H](C(=O)COc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc(SC(F)F)cc1 916887452 ONMIXQQMLGYOPR-QGZVFWFLSA-N 460.889 5.534 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 916950267 SNMSBVQIWXRFPZ-VFNWGFHPSA-N 485.531 6.232 30 20 JKED N#C[C@H](C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996602 OALLOGRVKFHXDN-QGZVFWFLSA-N 481.364 5.217 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)c(OC)c1 917663610 UJOPTTNMWOXDRW-OAQYLSRUSA-N 499.589 5.065 30 20 JKED CC(C)n1ncc2cc(/C=C\C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c(=O)[nH]c21 918680818 XOJCZSHAODWSNL-YHYXMXQVSA-N 473.920 5.275 30 20 JKED Fc1ccc(CSc2nn(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(=S)s2)cc1 918732151 HRSDIXZHYFNWKI-VXGBXAGGSA-N 491.523 6.126 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2[nH]c3ccc(F)cc3c2Cl)n(C2CCCC2)c1C 919431486 JPKWFQPBYYTTEL-UHFFFAOYSA-N 456.905 5.161 30 20 JKED C[C@@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)N1CCC[C@H]1c1cccs1 920636349 WDDAJMQRMHDDMW-JPYJTQIMSA-N 460.555 5.108 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3ccc(Cl)cc3c2)C1 1781258808 ZLWZXTXFZQEXAA-YIXXDRMTSA-N 484.040 5.008 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4)cc3)CCC2)cc1C#N 1785760053 FCDZCPBHKGFDTB-UHFFFAOYSA-N 488.975 5.455 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnn4c(C)cc(C)nc34)CCC2)cc1 1785842148 QQZONTCGWWPLTA-UHFFFAOYSA-N 459.594 5.086 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)C(F)(F)c4ccco4)CCC3)cc2)c1 1786041692 WYSLTDQMAJYFEI-UHFFFAOYSA-N 463.484 5.010 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786104495 VOTLJUNUHQGETQ-OAQYLSRUSA-N 495.664 5.536 30 20 JKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C3(NC(=O)C#Cc4ccccc4)CCC3)cc2)cc1 1786200046 UMVVLWQKNFZABU-UHFFFAOYSA-N 494.591 5.234 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3sccc3F)cc2)CCC1 1786523242 RQMIJYDITQZEDH-AKJBCIBTSA-N 499.608 5.104 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C\c3c[nH]c4ccccc34)cc2)CCC1 1786781049 NQPMSAOVOOQWSZ-BZPDREMPSA-N 458.562 5.116 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CCC2)cc1 1787648144 HXMKFJUJXQDVSE-UHFFFAOYSA-N 460.921 5.189 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccoc5c4)cc3)CCC2)c1 1788487267 UAEKSKZNFVKZEH-SFHVURJKSA-N 464.525 5.516 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cccc4cccnc34)CCC2)cc1 1788649692 QQWIWGKRHCFSIE-BUHFOSPRSA-N 481.577 5.483 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)nc1 1788861792 LRFYWLVIIKOBGL-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1789491278 CKPOVXQJFBOXJB-QFIPXVFZSA-N 465.981 5.142 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789880821 MQNWLKZSDZYQNX-GOSISDBHSA-N 461.587 5.149 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccc(Cl)cc5)[nH]n4)cc3)CCC2)CCC1 1790131183 IFELBUCXAVSTPN-UHFFFAOYSA-N 473.964 5.172 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc3)CCC2)C1 1790383975 VSBXCERHLCNFLY-QFIPXVFZSA-N 483.653 5.416 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C)cc2)CCC1 1790477718 PYLUDHDYIQRJSU-JTAQYXEDSA-N 483.653 5.368 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)CC5)cc3)CCC2)c1 1790886339 XSGHHFHBFXAFRW-LJQANCHMSA-N 477.564 5.504 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc4nccn34)cc2)CCC1)c1ccccc1 1790914288 YQAYNDWMVQBDIJ-RUZDIDTESA-N 476.580 5.279 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3sc(-c4ccccn4)nc3C)CCC2)cc1 1791247665 FLBNDONGNCKYEU-KRWDZBQOSA-N 460.603 5.473 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]nc(Br)c4c3)CCC2)cc1 1791250606 WRYWNENBXWUIIK-OAHLLOKOSA-N 481.394 5.285 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccccc3Br)CC1)C2 1798591900 OBLBYPYHVOAXKS-REPLKXPHSA-N 473.455 5.111 30 20 JKED CC[C@@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C#N)c1Cl)c1ccccc1 1799301315 CCBIYBOWYDUDJO-WDVFSZROSA-N 464.009 5.293 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(F)(F)F 1799586689 DYWQVXXBDFMIBO-REPLKXPHSA-N 464.604 5.008 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2c2cccnc2)C1 1802419301 ZSWLPYCXPZIVKB-BTYIYWSLSA-N 478.807 5.328 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1803094033 ZOGKCHYNEXWBBL-URLMMPGGSA-N 479.624 5.837 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C3)c1 1803685413 UJQVMYDLDOJQLC-XKRTTZHXSA-N 473.470 5.037 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cc(F)ccc2Cl)[C@H]1c1cccnc1 1804054020 ZATOHQGXHMAYNN-NTKDMRAZSA-N 472.004 5.115 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)cc4F)C3)CC2)cc1C#N 1805068797 HYCFGZIWVHXNED-UHFFFAOYSA-N 497.998 5.297 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1806062997 JDFBHDLUUGNUGX-DEOSSOPVSA-N 495.714 5.696 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1807881596 QHDVDDMGCFQVLH-CPJSRVTESA-N 494.517 5.058 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1808460922 INPOWIHJLWVOKJ-MZKUHISZSA-N 484.600 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@@H]1c1cccnc1 1810168599 JVHJXJFFWIRTNP-KODFZCBSSA-N 498.627 5.173 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1812962562 WIZKNCFSWUQWRV-ZDEZRRDYSA-N 477.624 5.435 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@@H]1c1cccnc1 1813229849 CXNYSKUWUUZHHR-POURPWNDSA-N 497.614 5.325 30 20 JKED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814149301 UBACACGSMUPAJY-RWUBSVTLSA-N 481.706 5.379 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cc(Cl)ccc3Br)[nH]n2)C1 1814397532 PQEBRQOJPZHFFX-IBGZPJMESA-N 491.817 5.027 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)[nH]n1 1814440128 LBSUUKPGDBNMOC-JOCHJYFZSA-N 479.625 5.203 30 20 JKED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccc(Cl)cc1 1814657589 GVIGDZQCZNIHTL-UGZSSSENSA-N 497.020 5.360 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817212082 KCEZWKZAAQBMGG-ZUHYHBHRSA-N 487.648 5.548 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ncccc34)n[nH]2)c1 1818474350 CZRCKULFRLJDOR-IQGLISFBSA-N 478.556 5.205 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N(C)C)c3ccccc23)n[nH]1 1818609348 KZNZZPACUYJKAN-QFIPXVFZSA-N 481.547 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818744661 VKAKJWQJBFNYAZ-VGOFRKELSA-N 465.985 5.619 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4scnc4c3)n[nH]2)c(Cl)c1 1819150401 KNJMBJYMHWLUEL-HXUWFJFHSA-N 490.976 5.164 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(OC)cc2)[nH]n1 1819309969 MOOFQLNIDMXVKX-RWTLANGKSA-N 462.594 5.282 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1 1820906130 ZWWZWMLLNITXME-WBPGVZHSSA-N 499.656 5.008 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)[nH]n2)cc1 1821178109 HZNKXQRSRFMUQW-VWLOTQADSA-N 496.546 5.230 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(C(F)(F)F)c(F)c4Cl)sc3C2)C1 1821316140 IJJZLIPVTQADTM-NSHDSACASA-N 487.906 5.146 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821382342 CCNKQFMZDBFNEO-HSZRJFAPSA-N 477.996 5.686 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)c3ccc(Cl)cc3)[nH]n2)c1 1823212918 ZKCZTVCAUQSYAX-YTZAWJCFSA-N 490.007 5.800 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)cc1 1823684064 YDRFPJTZRTWHII-OZXSUGGESA-N 489.582 5.028 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CC2)C1 1823701661 BBQPWRCCHYXXQE-DEOSSOPVSA-N 472.589 5.022 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1824393200 YTGSDOXDGVJROW-UQBPGWFLSA-N 479.621 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824642443 NAFSQXQZGFPNBQ-NNAHLOSHSA-N 454.577 5.331 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c(F)ccc(F)c2F)CC1 1824797459 WDFCQMVODNHFEU-AUSIDOKSSA-N 462.556 5.035 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1824831254 XVMRPAPZHDOCNO-SDVLMSEASA-N 475.555 5.160 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825572472 CSLADHGHZRDBKN-BJKOFHAPSA-N 471.642 5.009 30 20 JKED C=CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)CC2 1826060564 LOHOTJXQNVRQBP-ZDUSSCGKSA-N 468.406 5.039 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827266114 IBMGYTZLLYDECK-OAQYLSRUSA-N 472.054 5.377 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1)C(F)(F)F 1827343750 GNXNKHJQUJKHHR-HXUWFJFHSA-N 495.929 5.347 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991034 DCTINOAPQBQMGW-HSZRJFAPSA-N 480.996 5.064 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc4ccccc34)CC2)c(Cl)c1 1827998901 FEQKMIADLRNNSE-SANMLTNESA-N 487.003 5.307 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1828002115 XPQJEQHSYCYVPL-HHHXNRCGSA-N 489.736 5.519 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166060 HBCXKHVZJWZXJG-TZIWHRDSSA-N 489.081 5.361 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)CC2)c1 1828559169 GYTFIQQESGVDNA-DEOSSOPVSA-N 491.657 5.054 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)CC1 1828599355 JRJBOGOZQSQDGE-KSSFIOAISA-N 495.508 5.215 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cnccc34)CC2)c1 1828656253 FEUSAPYUEICDEG-RBTNQOKQSA-N 480.612 5.409 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1 1828906927 QDSKEBMMVQVRKC-RUZDIDTESA-N 478.709 5.717 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2Br)CC1 1829066553 IWHQOAVEWYXJNG-LJQANCHMSA-N 465.432 5.268 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 1829066556 JDSQUJVMPDZEEJ-HSZRJFAPSA-N 494.705 5.739 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1 1829069332 WPFUPZRMYMJTEK-HXUWFJFHSA-N 465.560 5.326 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)CC1 1829454863 JHGQTWJMZPBKPN-CTNGQTDRSA-N 464.437 5.390 30 20 JKED CCCc1onc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829690096 KKGLZABNAPGENV-NRFANRHFSA-N 483.012 5.008 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CCC1 1829706369 MKXMFXVXFMMNCE-AREMUKBSSA-N 473.592 5.420 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1829707078 ADMTZJDTLNKLDM-RUZDIDTESA-N 494.035 5.456 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)nc2ccccc12 1830360611 LSAJHIFEKKCNOH-NDEPHWFRSA-N 498.602 5.030 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1830416658 SDLPWYSHDHSZHC-UQBPGWFLSA-N 499.055 5.231 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)ccc2c1 1830629495 ZCDDZMAOLZQTMS-MUUNZHRXSA-N 480.612 5.156 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c(Cl)c1 1830722223 FQVBRKOERICQTJ-QHCPKHFHSA-N 488.390 5.551 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3)CC2)cc(C(F)(F)F)c1 1830755387 DLKVIRVEMNUKQB-HSZRJFAPSA-N 487.497 5.263 30 20 JKED CCC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCC1 1830756742 SYDSGSWAEXJNAF-QFIPXVFZSA-N 475.555 5.391 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)c1 1830768994 DPTBBVFYVYYZKQ-MHZLTWQESA-N 468.601 5.204 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cc(C(C)C)c2)CC1 1830777248 CFZQTKIWHXAWKP-HSZRJFAPSA-N 473.455 5.219 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830872818 IZIOGUSZANTLIH-GOTSBHOMSA-N 474.070 5.076 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4[nH]c(C)cc4c3)CC2)c1 1831035623 FZCFMARUGWCGCH-MHZLTWQESA-N 468.601 5.204 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1831375126 NAKYCJPAYZTODH-BEFAXECRSA-N 471.951 5.199 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1831853863 GZUGNYXRFYPUBR-QFIPXVFZSA-N 450.545 5.224 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cccc2F)CC1)c1ccc(O)cc1 1831926350 RFTGWKIUSHWKGE-GJZUVCINSA-N 494.582 5.101 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C)c2F)CC1 1832028107 HCTJPANNFJRMMV-JOCHJYFZSA-N 491.445 5.324 30 20 JKED C#CCCC(=O)N1CCC(OC2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)CC1 1836749892 PMRLTQRAJADQAI-UHFFFAOYSA-N 485.068 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/Sc3ccc(C)cc3)CC2)CC1 1838384080 GOWZCUZLILTTOB-XMHGGMMESA-N 484.706 5.592 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(F)ccc4Cl)CC3)CC2)c1 1838671908 QHZFOHQIVYLJJH-SFHVURJKSA-N 497.998 5.032 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1CCCC1)C2 1845227096 LDSFHKOLDIYJFM-QFIPXVFZSA-N 477.690 5.024 30 20 JKED Cc1ccc(Oc2ccc(Cl)cc2NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1 10576175 JWKAHDQUKJZZRT-UHFFFAOYSA-N 477.904 5.088 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2cccc(C)c2)cc1 11268319 JEJLLBWBJNUXNR-UHFFFAOYSA-O 454.413 5.658 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)cc1 16623528 KPEGFPQMRVUPAG-UHFFFAOYSA-N 465.579 5.271 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2-c2cccc(Cl)c2)n(-c2cccc(F)c2)c1C 16686621 YXQBYUCGJUYCPS-UHFFFAOYSA-N 480.956 5.070 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccccc1 16812042 MIICTRRBBJWWCK-QHCPKHFHSA-N 456.571 5.612 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN(C)Cc2ccc(C(=O)NC)cc2)c1=S 16878422 YQXGQMGWCOXCIT-UHFFFAOYSA-N 463.651 5.014 30 20 JKED Cc1ccc(Cn2cc(C(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)c(-c3ccc(C)cc3)n2)cc1 18377243 DLJCZIZOGPPQLD-QFIPXVFZSA-N 484.581 5.013 30 20 JKED CCOc1ccccc1Nc1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)s1 22354062 NTGNAWRDERLZSF-UHFFFAOYSA-N 474.011 5.373 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(F)cc2F)cc1 22727312 XNGNZHHXHRDPFD-UHFFFAOYSA-O 456.494 5.082 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 22800412 SUFNYIVJYVPBNQ-UHFFFAOYSA-O 487.964 5.100 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2nc3ccccc3s2)c1 26957470 CJTBMBOPJNVQGO-UHFFFAOYSA-N 498.029 5.608 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)c1C 28695864 MLQDEOHDNFWKMR-UHFFFAOYSA-O 475.421 5.788 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(CC)c2)cc1 28793817 KDQBLQJKVJGGOB-UHFFFAOYSA-O 462.639 5.687 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccccc1OC 32326411 LGRSHHGLFFQDMK-HXUWFJFHSA-N 490.551 5.914 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(F)c(Br)c2)cs1)c1ccc(F)cc1F 96931904 ZFIOOEDAZDRFHS-DAXSKMNVSA-N 481.293 5.904 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3ccc(OC4CCCC4)c(OC)c3)nc2C)n[nH]c1=S 108063374 NOWHEJIOWKLMFY-UHFFFAOYSA-N 471.608 5.141 30 20 JKED Cc1cc(C)c(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)c(C)c1 195556881 LYRCLBJVYSXPMK-ICSRJNTNSA-N 463.990 5.618 30 20 JKED COc1ccc(/C=C2/CSC/C(=C/c3ccc(OC)c(OC(F)F)c3)C2=O)cc1OC(F)F 212896068 BRWCNQUTYLYKEJ-DUGOVBPYSA-N 484.467 5.690 30 20 JKED C=C(Cl)COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 213543211 GNAMYWSEMLXXNA-POHAHGRESA-N 474.916 6.133 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C[C@@H]1CCCO1 254492379 LWRBUPOZHURBBA-LAUBAEHRSA-N 472.010 5.096 30 20 JKED C=CCn1c(S[C@@H](C(N)=O)C(C)C)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 303117099 MFDANDJKITWBBW-HSZRJFAPSA-N 457.603 5.257 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc12 303366888 RKDFZUFFLYVNIP-AWEZNQCLSA-N 450.564 6.181 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(N2CCCC2=O)c1 481568868 FTZCYPQVWFUZGR-GOSISDBHSA-N 472.520 5.286 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)ccc21 483415919 PNIKMZVYFKRAQB-UHFFFAOYSA-N 466.541 5.281 30 20 JKED O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1cnn(-c2ccccc2F)c1C(F)(F)F 486542458 VRQVPBJMRJDPGX-UHFFFAOYSA-N 474.361 5.911 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(NC3CCOCC3)cc2)c1 486559174 WBYFFHPVNKKNIM-UHFFFAOYSA-N 486.597 5.132 30 20 JKED N#C[C@@H](C(=O)c1cc2cc(Br)cc(Br)c2o1)c1nc2ccccc2o1 492684565 RDIALWUPXXFIAT-NSHDSACASA-N 460.081 5.589 30 20 JKED CSc1ccc(NC(=O)Cn2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)cn2)cc1 501119697 WDHGQMBNFWIIHJ-UHFFFAOYSA-N 499.621 5.519 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 501427787 SZYZLTLQGLKCLB-UHFFFAOYSA-N 469.928 5.253 30 20 JKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1 501579880 KTEZCGGUUYZUIG-KRWDZBQOSA-N 469.010 5.278 30 20 JKED COc1ccc(CNC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)cc1F 503184514 ZXPHEFUXMXGRCW-UHFFFAOYSA-N 496.770 5.036 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnc1-c1cccs1 507905687 YHJYZBGGSJLJEB-UHFFFAOYSA-N 461.572 5.421 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCN(Cc3ccccc3C)CC2)cc1 508255182 XSWACXIPCFGJCC-UHFFFAOYSA-N 470.573 5.454 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)n2)cc1 509186069 RBNAIYFDHFPCHI-UHFFFAOYSA-N 451.530 5.189 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 510208879 ITMHTVCRHBRMSD-UHFFFAOYSA-N 464.403 5.673 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCc3cc(F)ccc32)nnc1-c1ccc(Cl)cc1Cl 510324264 ZLAAZOVDMRXHMM-LJQANCHMSA-N 477.392 5.473 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510663875 GYLYHZSBNMSSHN-IBGZPJMESA-N 492.601 5.264 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2cc(Br)ccc2n1 511351295 BDPKNNMIDPMWMU-UHFFFAOYSA-N 463.360 5.477 30 20 JKED CCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 511760497 XWDRJMJXWGMUBR-SFHVURJKSA-N 472.397 6.089 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513167644 XFWHBSHBLPTPLJ-KRWDZBQOSA-N 474.895 6.012 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 514355558 VTEXMEAKYYRBPL-GOSISDBHSA-N 475.474 5.307 30 20 JKED C=CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@@H]1COc2ccccc2O1 514651569 IZIWRNCTKDARSW-INIZCTEOSA-N 464.425 5.055 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)nnc1-c1ccc(Cl)cc1Cl 516136357 IAJSLRAWXIESEQ-CXAGYDPISA-N 477.417 5.563 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(NC(=O)c4cccc(F)c4)cc3C)n2)cc1 516270339 SWXQRTOGGXKYMP-IBGZPJMESA-N 491.569 6.070 30 20 JKED CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 516397018 RPRACHNDBBPWBL-LJQANCHMSA-N 473.598 5.567 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516714180 SYFPDHIYRUYRGU-INIZCTEOSA-N 458.524 5.387 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1Cl 517844605 MUGKVXQPWIJCJQ-QIGHUWCUSA-N 471.988 5.777 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 518642620 CVMOJYOIQXZRQN-GOSISDBHSA-N 476.901 6.049 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 518668614 HNLZCQIQXCIHHC-UHFFFAOYSA-N 461.425 5.057 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(OC)c1 519433135 SYDLNMPDMIYERP-IBGZPJMESA-N 498.608 6.061 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCCc1ccc(Cl)cc1 519441163 DESRHQYIKNLGFG-UHFFFAOYSA-N 469.916 5.052 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 519485297 RPRJULMZGVHJKQ-VWKPWSFCSA-N 474.388 5.156 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 519514261 HTSFVXLQFSPONE-UHFFFAOYSA-N 456.955 5.578 30 20 JKED CCS(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 520164771 MQCSTTQAEGNTPM-MRXNPFEDSA-N 465.383 5.401 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)oc3ccccc23)s1 522145470 ZGGRDNGHMJLOSV-GFCCVEGCSA-N 480.640 6.195 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 523227206 DQJRKUJZLZTSMA-UHFFFAOYSA-N 488.547 5.572 30 20 JKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1ccc(C(F)(F)F)cn1 523251948 QTKIMKAIZREOLT-INIZCTEOSA-N 470.447 6.768 30 20 JKED Cn1ncc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)c1C(F)F 524049349 FPWIRFWDYUCOAB-UHFFFAOYSA-N 491.382 6.238 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)COc3ccccc3OCC(F)(F)F)cc2F)c1 524461007 DJTUHBKRGWZTCU-UHFFFAOYSA-N 474.410 5.235 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 524704601 KFMGVQNLTSWERB-UHFFFAOYSA-N 477.951 5.913 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)nc2sc(C)c(C)c2c1=O 588380652 QSHLWJVVGRAFFQ-KDOFPFPSSA-N 465.040 5.145 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc1 603637987 WQMXNRMSNDHEKX-UHFFFAOYSA-N 462.431 5.594 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1 603765989 HVTJJAWOJUOSRF-QHCPKHFHSA-N 486.959 6.015 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)c1C 603836630 PXHPGOTUSMCMHH-DEOSSOPVSA-N 498.608 5.517 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@H](CCc2ccccc2)c2ccccc2)CC1 604129324 JRCAQBHQOTXOTQ-HSZRJFAPSA-N 481.556 5.012 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(OCC(F)F)c2)cc1 608841759 VWLAQBMFBHDFQN-UHFFFAOYSA-N 451.473 5.297 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2cc3c(cc2Cl)OCCO3)n(Cc2ccco2)c1C 608930349 RRLYLPNEZLNDIS-UHFFFAOYSA-N 471.966 5.163 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)cc(OC)c1OC 609008868 VDEUHPICYDTPAE-LJQANCHMSA-N 462.571 5.269 30 20 JKED N#C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1ccc(OCc2ccccc2)cc1 609172642 ABSCCZGOMKCMIM-NVQXNPDNSA-N 486.547 5.030 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccc(F)cc34)CC2)c1 609184988 KNSGQAYUNLXZHR-UHFFFAOYSA-N 485.534 5.987 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 609208679 AFJDAZRCOOMBEU-UHFFFAOYSA-N 454.530 5.085 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 609370839 BAOATRYXAXADHR-INIZCTEOSA-N 460.584 5.158 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 609403132 VSPSEOBIBYBNEC-OAQYLSRUSA-N 481.625 6.455 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 609434088 UCGZTLKNTDLYKT-OAQYLSRUSA-N 493.571 5.203 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(NC(=O)c4ccccc4Cl)cc3C)n2)cc1 613318169 NCEQQGABOTZCNX-GOSISDBHSA-N 492.025 6.884 30 20 JKED O=C(c1cccc(C(F)F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517417 IHJAJYSGECRRTR-MRXNPFEDSA-N 453.329 5.876 30 20 JKED O=C(CSc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642158681 YMWDQZWEYGDKMJ-GDNZZTSVSA-N 453.370 5.823 30 20 JKED O=C(NCc1cccc(OCC(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642769746 ZDDOSVBPWZQQMQ-VXGBXAGGSA-N 466.344 5.336 30 20 JKED O=C(Nc1ccc(F)cc1)C1CCN(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 726152952 UXZIXENKJLIRRS-BHQIHCQQSA-N 488.403 5.754 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 726397778 IZMIYBJSGHIHPT-DNVCBOLYSA-N 494.444 5.687 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)Cc2ccco2)c1 726411848 PAERAFSUEOSIBG-QMHKHESXSA-N 493.535 5.131 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CC(C)C)C1=O 726416210 SRZGPDWFWRFSLY-JOCHJYFZSA-N 469.607 5.099 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(N3CCCC3=O)c2)[n+]2ccc(C(C)(C)C)cc2)c1 726572420 DJRBHLBSWMYVQA-UHFFFAOYSA-O 496.656 5.703 30 20 JKED C#CC[C@@H](OC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)c1ccccn1 727776210 VVOOHSDTYISQGY-JOCHJYFZSA-N 463.331 5.326 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)cc1 728107967 AIZHHDFDZMJLLF-UHFFFAOYSA-N 470.268 5.444 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)c(C)c1 728776230 AKRJSJFQBGAHTI-JOCHJYFZSA-N 493.589 5.174 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NC(=O)NCc2ccc(OCC#N)cc2)c(C(F)(F)F)c1 729574210 PNGSYANUVKFKFK-UHFFFAOYSA-N 464.444 5.276 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ncccc2C)cc1 729634861 VREBDKWGGAVHBE-JOCHJYFZSA-N 495.004 5.213 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)OCCO3)N(C2CCC2)C1=O)Nc1ccc2ccccc2c1 730460609 CJFDKRLAROFXBQ-XMMPIXPASA-N 487.581 5.124 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 730646619 WJZAFECOLKYGQG-OXJNMPFZSA-N 475.353 5.298 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C(C)C)cc2)s1 730711923 JBIIYAHNLLWSEI-HXUWFJFHSA-N 479.631 5.130 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2csc3ccccc23)cc1 730717597 PIEDEVMRCIGPDL-OAQYLSRUSA-N 487.610 5.160 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(Cc2cocn2)C1=O 730720877 OIYLDCJLNRCKAT-FQEVSTJZSA-N 498.992 5.114 30 20 JKED Cc1ccc2sc(-c3ccc(N(C(=O)c4ccc(C#N)cn4)C4=NCCCS4)cc3)nc2c1 730742842 QHFPMVCPRYPMJR-UHFFFAOYSA-N 469.595 5.678 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1N(C)C(=O)c1cccs1 731066447 NNUFUJQRUFYOJX-QGZVFWFLSA-N 493.610 5.072 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1SC(F)(F)F 731073003 HGYMJHQYNXJDAQ-ZDUSSCGKSA-N 454.495 5.488 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731307901 WBKIITREJKRCMZ-ILBGXUMGSA-N 489.572 5.643 30 20 JKED COc1ccc(Cc2nnc(S)n2N=Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 744746773 JTYDLOPHIDVXTN-UHFFFAOYSA-N 495.948 5.402 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c1C 747598795 DYWJFBYCONREDN-HXUWFJFHSA-N 482.606 5.102 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cscn3)C2=O)c1 747600547 BQTVAJKMGHOOOM-JOCHJYFZSA-N 494.642 5.436 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(Cl)c1C 799213476 UWUPAKLTUHPMCF-GOSISDBHSA-N 490.810 5.004 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cccs2)C1=O 837448099 CXHWTOQQQPUXDZ-JOCHJYFZSA-N 479.627 5.534 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 837549876 NUTCCIMZTCMHRL-UQBPGWFLSA-N 480.593 5.956 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3cccnc3)C2=O)c1 838271107 PMBVZXVFXROAAC-DVECYGJZSA-N 490.604 5.867 30 20 JKED CC(=O)Nc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)cc1 873944606 TWUCMZPDYSQLJH-DEOSSOPVSA-N 486.597 5.114 30 20 JKED CC(C)n1ncc2c(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc(-c3ccccc3)nc21 877875232 LJQBQCIFFJZHJG-LJQANCHMSA-N 499.546 5.310 30 20 JKED Cc1ccnc2sc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)c(C)c12 914917576 NFERGOQQDXUQJK-AWEZNQCLSA-N 453.589 5.299 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915104501 CYXLMTDVHRLQOE-IBGZPJMESA-N 485.531 5.363 30 20 JKED CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nn(CN(CCC#N)Cc2cccnc2)c1=S 915796096 XGVCOVVANWUXCS-UHFFFAOYSA-N 475.449 5.812 30 20 JKED COc1cc(C=NNc2nc3ccccc3n2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 915968430 XMHDNVVTXAUMKH-UHFFFAOYSA-N 497.477 5.064 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 916277713 QFRFVUWSRRJMDR-UHFFFAOYSA-N 498.395 5.684 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 916546516 VXTHOLBCFDRNFF-UHFFFAOYSA-N 457.990 6.109 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1OC 916945729 YWEYGZULWKNRRP-OAHLLOKOSA-N 476.341 5.095 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 916949086 LUGNWEIJCHOUJZ-MZNJEOGPSA-N 457.505 5.553 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916975804 FYUWREOGHVUWOH-IBGZPJMESA-N 481.002 5.626 30 20 JKED COc1cc(/C=C\C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCc1c(C)noc1C 917040538 LLSWVXGRDCWSMT-IQBZNYMQSA-N 492.482 5.514 30 20 JKED N#C[C@@H](C(=O)CSc1nncn1-c1cccc(Cl)c1)c1nc2cc(Cl)ccc2s1 917043629 LFIVTRXWWNUVLU-AWEZNQCLSA-N 460.371 5.152 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c12 917119541 LFFPLFWNSAQVCR-RUZDIDTESA-N 457.537 5.852 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1F 917696882 SZEIXDRNPONVAI-QFIPXVFZSA-N 483.540 5.115 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1Cl 917722287 HRTMGJZWCXVJBN-LJQANCHMSA-N 493.894 5.297 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cccnc2SCc2ccc(F)cc2)c1C 919161030 YDFSOTYLOGBGPN-UHFFFAOYSA-N 477.561 5.234 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2cccc(Cl)c2)c1 920109552 QXLUGBKUQABLEC-FQEVSTJZSA-N 483.351 5.851 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc3ccccc3c2)no1 920360587 YWHGAEHJAPABIR-HSZRJFAPSA-N 488.544 5.436 30 20 JKED COC(=O)c1sc(-c2cccc(Br)c2)cc1NC(=O)c1ccccc1OCC#N 920816149 HSAIRDIFJSTFHF-UHFFFAOYSA-N 471.332 5.119 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1C 920893833 HKTIILGTRPEFOQ-MRXNPFEDSA-N 485.371 5.571 30 20 JKED Cc1ccccc1-c1nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c(=S)n1Cc1ccco1 921189005 YMNRCWXTCSMEQZ-UHFFFAOYSA-N 497.546 5.924 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccncc2-c2cccc(C)c2)C1 1777758259 PJMNXJLAKXXSDW-PDDLMNHVSA-N 489.660 5.177 30 20 JKED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCCc2ccccc2)C1 1783218558 SHSGRWMBTLKEAJ-KSCKTEMCSA-N 488.738 5.182 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCNC(=O)OC(C)(C)C)CCC2)cc1 1785842074 IETBZOKTJXMIBX-UHFFFAOYSA-N 457.615 5.028 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cnc5c(Cl)cccn45)CCC3)cc2)c1 1786041022 ZAUQUCZNWXAHDA-UHFFFAOYSA-N 497.986 5.240 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1 1786368437 JYKATCTYLCGFNG-LRYGQEGESA-N 452.517 5.080 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CCC1 1787769843 AVMYZCVNCLSNMA-KRWDZBQOSA-N 475.511 5.183 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1)c1ccc(O)cc1 1788455791 TUGLFSMQMMZLHS-OAQYLSRUSA-N 492.579 5.213 30 20 JKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)ccc2s1 1789048478 YRNFGWMBTOPPOC-UHFFFAOYSA-N 484.556 5.677 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)cc3)CCC2)cc1 1789534004 YSAJNDBUXVPPAC-SDHOMARFSA-N 465.578 5.194 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)s1 1790081890 NLOAFWAPGINNGH-UHFFFAOYSA-N 464.978 5.347 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)ccc4F)cc3)CCC2)c(Cl)c1 1790645750 JXDHNUFPOPRBPN-UHFFFAOYSA-N 463.896 5.118 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)cc2)CCC1 1790690661 MHQOJWGJUVEIND-UHFFFAOYSA-N 461.562 5.195 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCS4)CCC3)cc2)cc(C(F)(F)F)c1 1790787226 BJKYUIGPCQQISP-FQEVSTJZSA-N 473.520 5.220 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CCC)NC(=O)OCc3ccccc3)CCC2)cc1 1791580421 BBJOPPGNUBNGIZ-RUZDIDTESA-N 489.616 5.019 30 20 JKED CC(C)N[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1)C(C)C 1792122273 ILUDXMAQZNBMSM-CJFMBICVSA-N 460.622 5.084 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)cc2)CCC1 1792242335 GUNZDZYDNYMCJY-LKCNHADESA-N 475.511 5.201 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]n1 1794797465 SKMBQIMUZIXMBP-BCDXTJNWSA-N 488.554 5.340 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Cl)cc3[nH]1)C2)c1ccccc1 1798554882 DAIMXFPOIDGBJR-UEQSERJNSA-N 474.004 5.270 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1802499777 ITYXLZQSCGNPMD-XXBNENTESA-N 464.635 5.245 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)CC1 1802963954 PADWNCJFQIZUEB-CUBQBAPOSA-N 492.063 5.399 30 20 JKED CCCCCc1ccc(/C=C/C(=O)NC[C@@H]2CCN(C(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)cc1 1802994390 BIAMWDJGULFRMH-KSSDPHPASA-N 472.633 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)oc3cc(O)ccc23)[C@@H]1c1cccnc1 1809282730 GKOPVNCNQOBKOZ-CPJSRVTESA-N 475.589 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1809402556 KVAHWTQRPDFFSF-DNRQZRRGSA-N 477.008 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@@H]1c1cccnc1 1809692190 HIIWVFCYNFWVNL-KOSHJBKYSA-N 480.559 5.153 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1810175114 WNYJFESLRMCEPA-XFAFFCHDSA-N 453.586 5.323 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1811202908 QXHPMGCOFQAXAS-LBNVMWSVSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1812587866 SSRHOXCPMNFGPG-HMHJJOSWSA-N 477.992 5.527 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1812588574 PUXVLNYDCAJFEW-CEXJFXJFSA-N 468.022 5.482 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1813941719 OBAUIKAHPSGWLE-VGSWGCGISA-N 475.967 5.325 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813977337 ITAPFVQUMAZACX-CMPZQBNXSA-N 480.823 5.574 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1815247697 OMZPSGOXAOLLBB-WMZOPIPTSA-N 499.862 5.086 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)cc2C(F)(F)F)n[nH]1 1815546112 HHVXIJLDKRCKCG-KUHUBIRLSA-N 466.479 5.015 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818163975 OZHJYNODGZYIHM-OAQYLSRUSA-N 496.995 5.612 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccnc3s2)n[nH]1 1818573829 KSYHTQSAKJKYNY-FQEVSTJZSA-N 493.709 5.376 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)Sc2cccs2)n[nH]1 1819254340 PJZMRIGVRVLTTG-LPHOPBHVSA-N 458.653 5.413 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc(F)c3)CC2)[nH]n1 1819302861 NSBCBWJVXYVQMK-UNMCSNQZSA-N 450.558 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)[nH]n1 1819304836 KAEOKOKQDSEDKA-GBXCKJPGSA-N 459.594 5.284 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1819311066 JWDXPIZFQAXBET-JTHBVZDNSA-N 475.593 5.143 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)[nH]n1 1819557669 RWWGSTAJJQNKFM-QUCCMNQESA-N 489.661 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cccs3)on2)n[nH]1 1819785112 DTVXZGLHATVTLY-GOSISDBHSA-N 467.595 5.425 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4occc4n3-c3ccccc3)sc2C1 1821171796 MNZCMLKRSNYFRS-OAHLLOKOSA-N 496.539 5.117 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)c1 1821275404 IBQWLJMMCHDNKV-FQEVSTJZSA-N 491.523 5.394 30 20 JKED CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)CCCCC1 1822333175 MNBMJIOGWBJIOJ-HXUWFJFHSA-N 453.974 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)n[nH]1 1823520250 UUKZMBUERIJKJP-AZUAARDMSA-N 489.661 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 1823751460 VEVAWVDKLOWULC-CLJLJLNGSA-N 466.666 5.303 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3c(Cl)cccn23)CC1 1823752330 COJQZHVSNMNWOO-OAQYLSRUSA-N 471.045 5.213 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1824455544 VXKJTLCVRBGFCS-CYXNTTPDSA-N 466.666 5.411 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc3ncccc23)CC1 1824473282 AFDBBGKEZQKZET-AREMUKBSSA-N 461.650 5.389 30 20 JKED CCC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)n1cccc1 1827629211 HWYVLVWYPOIFFY-RPWUZVMVSA-N 481.040 5.288 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)nc2ccccc12 1828215142 GCOBAMMGTPIDIY-MUUNZHRXSA-N 498.602 5.030 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1828823316 RHFQEKCYZCFABU-LADGPHEKSA-N 454.655 5.887 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1828827183 SUPRDBJPXVUWCK-LSYYVWMOSA-N 471.645 5.750 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1828827302 UWZCVLKRIQRYMP-TZIWHRDSSA-N 497.989 5.756 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1)C(F)(F)F 1828879182 CISFLKXSQHZLPF-AUFJSOOLSA-N 466.569 5.339 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncncc3c2)CC1)c1ccccc1 1829032258 LQLUJRGMHMYRDQ-PXJZQJOASA-N 494.639 5.060 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1829600554 FCNOHEXOGHQXIC-SANMLTNESA-N 468.601 5.106 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830663174 AEDBAGCKNIEBJK-QHCPKHFHSA-N 477.020 5.305 30 20 JKED Cn1ccc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)c21 1830721832 QSDAXPFNFNAMHM-VWLOTQADSA-N 489.019 5.250 30 20 JKED C[C@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CC=CCC1 1830723462 JQSZNTQIKLJMLU-OZXSUGGESA-N 454.014 5.191 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1831201914 BYPQJMUDOUGMIA-YJRBMFNESA-N 489.591 5.043 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2Cl)N(C)C)CC1 1831210279 PRXASKKKSXULBH-UIOOFZCWSA-N 486.100 5.331 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831306860 KSFHYRVRJRPJIY-WZONZLPQSA-N 481.464 5.137 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(Cl)cc3Cl)CC2)c1 1831306982 QKEQDAQITRSMTP-QHCPKHFHSA-N 487.431 5.059 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831310195 JYLHIAZGYFCDBS-QHCPKHFHSA-N 480.546 5.200 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1831849400 VLWXBNREKDAMCT-SANMLTNESA-N 457.618 5.094 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c(Cl)c1 1832607310 FSKDIALCADFYKI-XMMPIXPASA-N 467.972 5.206 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1837685863 WELDXCQVZOTKDA-TVZXLZGTSA-N 454.655 5.027 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1838375358 DBCAYKHVCDTNIO-NRFANRHFSA-N 493.475 5.682 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CC1 1838528005 YPTCUXRPSXSDBB-QHCPKHFHSA-N 499.655 5.431 30 20 JKED C=C1CC(C(=O)N2CCCC23CN(C(=O)c2ccc(F)c(F)c2CSc2ccccc2)C3)C1 1841019247 WPUUMNLSXMTPHN-UHFFFAOYSA-N 468.569 5.040 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1844203362 NIMKRLZBCYCXQE-DQEYMECFSA-N 464.556 5.470 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(F)c(Br)cc1Cl)C2 1844356905 FDXOWWXONQRBAF-UHFFFAOYSA-N 471.798 5.051 30 20 JKED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)cc1 1845280551 LTLHLMGTMLPKOL-SANMLTNESA-N 485.534 5.081 30 20 JKED C=CCNc1nc(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cs1 10133127 SRLAONMCMOBFEW-UHFFFAOYSA-N 457.964 5.381 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173429 RNUUIHWTFWQWLI-UHFFFAOYSA-O 496.612 6.086 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c(C)c1)[n+]1ccc(Cc2ccccc2)cc1 10174273 UEWLQDIRJMNSOQ-UHFFFAOYSA-O 479.669 6.795 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)n2-c2ccc(C)cc2)cc1 15275354 AJJHNAWKCNSUMP-IBGZPJMESA-N 475.618 5.075 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)n2-c2ccccc2)cc1Cl 21119226 NDTYQGYPRDCFML-UHFFFAOYSA-N 493.951 5.241 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 21119291 YBMVRTLJWQGXJE-CQSZACIVSA-N 480.487 5.320 30 20 JKED Cc1ccccc1-c1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c2cnn(C(C)C)c2n1 22393478 VPXNMCZMFRNHOV-MHZLTWQESA-N 496.590 5.149 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c(C#N)c1C 23121572 ORAVRFASAMNNFU-UHFFFAOYSA-N 473.558 5.350 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nnc1[C@H]1COc2ccccc2O1 23422821 IEPQPUWDWSUPLA-OAQYLSRUSA-N 478.599 5.401 30 20 JKED C[C@@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(=O)N(CCC#N)c1ccc(F)cc1 26998146 OWENYWMVIZGZFI-QGZVFWFLSA-N 499.015 5.087 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(Br)c1 71944242 RRSJSBMVZXEBRF-OAHLLOKOSA-N 463.335 5.456 30 20 JKED CCOc1c(Cl)cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 71978385 BKCNBLTVWRCQPZ-UHFFFAOYSA-N 452.963 5.700 30 20 JKED N#C[C@@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1ccc(OCc2ccccc2)cc1 72096688 OQNWSKORLMUARK-XMMPIXPASA-N 466.516 5.074 30 20 JKED COc1cccc(Nc2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)c1 105403916 JAEHSTUKFVIZMH-KRWDZBQOSA-N 479.612 5.382 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 105912023 USGHUTUKWRBDLF-UHFFFAOYSA-N 464.919 5.281 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1C 255049323 NHSYVETUCVTQRJ-GOSISDBHSA-N 460.397 5.128 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 302925493 BGOTYXZHNHUOEM-UHFFFAOYSA-N 481.474 5.776 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 303023291 MCJPQEVRRNBUJJ-QGZVFWFLSA-N 494.389 5.910 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1 303207840 QHAIYCOQZHNJFM-UHFFFAOYSA-N 473.451 5.699 30 20 JKED CCCCCOc1ccc([C@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC 409514592 QTDOQZRDYUNYFD-FQEVSTJZSA-N 492.620 5.257 30 20 JKED N#Cc1c(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)sc2c1CCCCC2 482133910 ODXKHPWQIXCZRG-UHFFFAOYSA-N 466.613 5.027 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc(OC)c1OC 498012174 KEPLFZZXOJQRJY-IBGZPJMESA-N 465.594 5.077 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc(Br)cc2)cc1C 498072140 XSIGFUWHIAQNAU-QGZVFWFLSA-N 451.368 5.334 30 20 JKED O=C(NCc1ccccc1C(F)(F)F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 499227026 OOLBQIANKSMDBT-UHFFFAOYSA-N 481.318 5.859 30 20 JKED COc1cc(C(=O)N(CCC#N)Cc2ccco2)ccc1OCc1ccc(Br)s1 502556484 WHQWFPLINKCXHW-UHFFFAOYSA-N 475.364 5.247 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 503540180 LUKHRKMSSWCULC-QFIPXVFZSA-N 456.571 5.434 30 20 JKED C=CCN(C(=O)c1cnn(Cc2ccccc2)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 506233195 NXIBUIPBYPMJAP-UHFFFAOYSA-N 459.531 5.104 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1 507922781 VHICIUOZGZZWFU-MHZLTWQESA-N 475.504 5.545 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 508149541 SMQACDZYEHOGGA-UHFFFAOYSA-N 473.554 5.813 30 20 JKED C=CCN(C(=O)c1ccc(CN(CC)C(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 508776702 DTCJOPMSKPSBEX-UHFFFAOYSA-N 497.686 5.277 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)cc1 509247527 PTBIIAICSNJSEC-UHFFFAOYSA-N 459.512 5.962 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 511941072 UXLTYFNVOLETCN-UHFFFAOYSA-N 475.976 5.915 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)c2ccco2)c1 515637301 KBWUVWWQQPGQDO-UHFFFAOYSA-N 453.473 5.698 30 20 JKED COc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 516010421 HTMQDNXMGSMSBT-GAJHUEQPSA-N 461.949 5.162 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H]2CCCc3ccccc32)c1 516389793 OEDVVQOOTKNUCJ-NRFANRHFSA-N 455.583 5.139 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1 517475893 JNKJNLRIPQAQSA-UHFFFAOYSA-N 478.577 5.428 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 518785462 ZVQFADPLOJUHKQ-NRFANRHFSA-N 479.605 6.316 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc(C)nc21 519433838 FCYOCLUCUYQJOD-CQSZACIVSA-N 461.513 5.988 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 519452243 VNKFENRMUOKEIS-IBGZPJMESA-N 477.659 5.412 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)S(=O)(=O)c1ccc(Br)cc1Br 521135391 SUQHGMDJDOQQOT-UHFFFAOYSA-N 496.180 5.072 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nnn1-c1ccc2ncccc2c1 521313838 BXMBTCHJIHXEGP-UHFFFAOYSA-N 482.491 5.401 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCc4ccncc4)cc3)cc2Cl)c1 551683650 ZVCDGLRSWKNVCX-UHFFFAOYSA-N 469.928 6.017 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)o2)cc1 553731938 FCRRZFKHBUQFNJ-UHFFFAOYSA-N 455.539 5.620 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1 580534651 XEVPJMWCCTVKOQ-UHFFFAOYSA-N 465.431 5.113 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)c3cnn(C(C)C)c3n2)cc1 603972040 GDZPSTIXQGGACX-UHFFFAOYSA-N 453.546 5.923 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 603991585 NAARLHVLJOGUSW-MRXNPFEDSA-N 461.612 5.393 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)cc2Cl)cc1 604027247 QFYDOIXJYHJSBQ-UHFFFAOYSA-N 461.905 5.370 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1 604562187 HAATVPYQGFEGHZ-QHCPKHFHSA-N 470.573 5.393 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)cn2)cc1 604566802 SNRATPHEHIXMMG-UHFFFAOYSA-N 460.578 5.329 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)cc2)cc1 608915795 BXHDXWKATINMAR-UHFFFAOYSA-N 478.911 5.133 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccco1 609086411 GDCHRPCMVQDWGB-UHFFFAOYSA-N 479.536 5.206 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2F)c1 609104468 FYWDVXMRXMLVAB-UHFFFAOYSA-N 452.489 5.592 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)cc2F)c1 609104577 HYTSRIDJNMQGQH-UHFFFAOYSA-N 475.520 5.644 30 20 JKED COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387358 YLFCWSWQEKMMCK-LSDHHAIUSA-N 451.514 5.398 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)CC1 609428992 FKJBTLSAFUBYFT-DEOSSOPVSA-N 466.516 5.170 30 20 JKED O=C(NCCc1ccc(F)c(Br)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615814578 OPCQHMRHZKTZKU-GHMZBOCLSA-N 479.234 5.339 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1cccc(C)c1 617941545 XZVASHMWNRYMCT-FQEVSTJZSA-N 472.618 5.361 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCCc2ccccc2C)nnc1-c1ccc(Br)cc1 619153740 DBOGZZKOXKLVFI-QGZVFWFLSA-N 485.451 5.042 30 20 JKED CC(C)Cn1ncc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(F)F 622469518 NGTWBBSJRSPNMM-UHFFFAOYSA-N 459.337 5.532 30 20 JKED Cc1nn(C(F)F)c(C)c1CC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518179 XXQVOGLFEJMCPD-MRXNPFEDSA-N 485.375 5.075 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)nnc1-c1ccncc1 639394490 AROSFJQEOZWGGI-SFHVURJKSA-N 461.513 5.300 30 20 JKED C=CCn1c(S[C@@H](C(=O)N(C)Cc2ccc(OC)cc2)C(C)C)nnc1-c1cccc(C)c1 639426239 BONIYOJPKWCAJH-HSZRJFAPSA-N 464.635 5.223 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 645079441 IIDSIOSWGZERPC-MIALQEHNSA-N 463.047 5.118 30 20 JKED O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1cc(F)c(F)c(F)c1F 684143369 LUPSMKXUCNSDQT-UHFFFAOYSA-N 457.305 5.505 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CNC2(c3ccc(Br)cc3)CCC2)c1=S 725772057 DAEZEXGXCCIHSU-UHFFFAOYSA-N 490.515 5.017 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2c(F)cccc2Cl)cc1 726413158 VZPWAVVKAWMOHJ-OAQYLSRUSA-N 490.000 5.067 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(F)c2)c1 726414135 XLPYGMPBZMRBLH-HSZRJFAPSA-N 475.520 5.107 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cscn1)c1cccs1 726421358 MSHZJCLMFCYLSQ-BJVDCMAQSA-N 492.598 5.073 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(C)=O)C=C2)[n+]2ccc3c(c2)CCCC3)cc1F 726575399 HEYHATKCTGKLFF-UHFFFAOYSA-O 492.596 5.094 30 20 JKED CCOC(=O)c1cc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1F 728503007 XRIVQLKEYGNRHM-HXUWFJFHSA-N 472.925 5.112 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(Cl)cc1 728776624 CSUJVYCXOBFDPY-LJQANCHMSA-N 475.401 5.648 30 20 JKED CC(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)NC(=O)OC(C)(C)C)cc1 729058365 KJTDITFDHPTZAC-HSZRJFAPSA-N 450.583 5.089 30 20 JKED O=C(C[C@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730461548 FOVNLKGMPKQPSB-JWYWCWIRSA-N 479.499 5.226 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O)Nc1cnccn1 730715401 MYWSSSDQUGBLGR-XUZZJYLKSA-N 489.576 5.117 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](O)c3cccc(C(F)(F)F)c3)cc2F)c1 730899336 CMIUYOQTOBZUTC-NRFANRHFSA-N 473.426 5.150 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 730945304 PTFVCFBTRHVSSJ-UUOWRZLLSA-N 488.613 5.374 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304481 QOZLVOPKAWVGEU-AVRWGWEMSA-N 496.592 5.662 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)cc(C)c2)c1 731308098 WVMZAUWPAJBRGW-XMMPIXPASA-N 489.597 5.178 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 745063223 CZYJXMCFALTYGQ-UHFFFAOYSA-N 464.521 5.381 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(C(=O)OCC)cc1 749102823 STJDGFLCBHSMSO-UHFFFAOYSA-N 451.361 5.150 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 749360717 CWKQSFKLGKXPTA-UHFFFAOYSA-N 467.916 5.535 30 20 JKED C=CCc1ccc(OC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c(OC)c1 818031118 DPHDCHBBFSDCIY-INIZCTEOSA-N 492.622 6.028 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)cc1C 837299949 PIKCTWCBQTUDMK-UZUQRXQVSA-N 494.567 5.698 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837782507 ANASSTWFDDKWLZ-VGOFRKELSA-N 479.005 5.765 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2cccc(F)c2)cc1 838040450 KAVGDHLXCKIGPX-QHCPKHFHSA-N 495.551 5.176 30 20 JKED FC(F)(F)CCc1noc(C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)n1 904866894 XGTXXYUKVNPTQG-UHFFFAOYSA-N 455.099 5.366 30 20 JKED N#C[C@@H](C(=O)CSc1n[nH]c(-c2ccccc2Br)n1)c1nc(-c2ccccc2)cs1 914527486 RLLLMPZRMHPORM-HNNXBMFYSA-N 496.415 5.326 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914537716 BWCIERIQCSJANB-UZUQRXQVSA-N 461.587 5.054 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2sccc2C)C1=O 914540695 BPDNBDIFPUIEBO-NRFANRHFSA-N 479.627 5.534 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 915085552 CJXVTQWNHJPMQD-LJQANCHMSA-N 471.460 6.000 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)n2)cc1 915100395 PUHDVEYYQICWOZ-QUCCMNQESA-N 495.551 5.449 30 20 JKED COc1cc(/C=C/C(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)Nc1ccccc1Cl 915271314 SSMNDUULEMVSDP-ZRDIBKRKSA-N 460.917 5.744 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccccc1Cl 916910876 JSCBDICDROBWPJ-FQEVSTJZSA-N 459.908 5.908 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 916927762 MXAIRZZKPJAKIW-CYBMUJFWSA-N 455.725 5.405 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2s1 917420553 SVDPUQQEYXWLPK-LBPRGKRZSA-N 460.403 5.663 30 20 JKED O=C1/C(=C\c2ccc3c(c2)CCO3)CC2(C/C1=C\c1ccc3c(c1)CCO3)C(=O)Nc1ccccc12 917517840 LSKRVAPKHAEVHI-REPVBDINSA-N 475.544 5.276 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 917751807 OZYLWNJRHKASHC-MRXNPFEDSA-N 465.402 5.650 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2Cl)cc1 917805012 QRFDNJRYJJFHGO-UHFFFAOYSA-N 484.987 6.099 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(Br)cccc3C2=O)cs1 920066507 DOJDTSKZAIFZMW-GDNBJRDFSA-N 469.360 5.557 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc(-c2ccc(Cl)cc2)cs1 920110962 PIDXTHOJCCMQMH-AWEZNQCLSA-N 476.435 6.721 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccc(OCC(F)(F)F)cc2)C1=O 920353936 WVXOCNIXUXRLDJ-HXUWFJFHSA-N 493.551 5.019 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c1 920354926 IOEPAAMLGGNSBO-HSZRJFAPSA-N 476.602 5.377 30 20 JKED CCCOc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 920479203 PPECAHWHJCHSJB-JOCHJYFZSA-N 492.576 5.170 30 20 JKED C[C@H](OC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1C#N 920672030 QSLCLEZOZHRUKJ-GJZGRUSLSA-N 469.950 5.059 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CC2CCC2)C1=O 920927762 XOSOLJUBNBSVHF-HXUWFJFHSA-N 491.535 5.474 30 20 JKED C=C(Br)CNC(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 921043317 RZWUVNFHGITUBV-UHFFFAOYSA-N 458.381 5.130 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CC#N)C4)c(C)c2)cc1 1783066175 SIKHCGZLOKVBNX-POURPWNDSA-N 487.644 5.046 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)nc4)cc3)CCC2)cc(C(F)(F)F)c1 1785761649 JXYOLTMJZZOUEB-UHFFFAOYSA-N 499.880 5.082 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)nc1 1786867741 QKCGADDFLJMTBO-UHFFFAOYSA-N 472.976 5.296 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccco4)cc3)CCC2)cc1C#N 1786904595 KUOOEURWSYOGAC-UHFFFAOYSA-N 471.557 5.319 30 20 JKED CC(C)(C)CC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)nc3C(F)(F)F)cc2)CCC1 1788357266 CUCSOAQZICEOET-UHFFFAOYSA-N 458.484 5.156 30 20 JKED CCn1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c2ccccc21 1788368778 ZPMBIJXLUPRQIU-UHFFFAOYSA-N 477.568 5.184 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H](C)CCCN3C(=O)OCc3ccccc3)cc2)CCC1 1789215932 IRZWXPKYCHLODQ-HFZDXXHNSA-N 489.616 5.134 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)CC3CCOCC3)CCC2)cc1)c1ccccc1 1789601770 BBFPODORFHKZQQ-SANMLTNESA-N 458.602 5.134 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cccc(Cl)c5)cc4)CCC3)c2c1 1790265582 SAIQVTBFNUEFAZ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED COc1ccccc1CCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790520969 FFNYAGDTMSLIRD-UHFFFAOYSA-N 485.559 5.015 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1790568364 XGCOLOICTJBRDI-KRWDZBQOSA-N 478.980 5.437 30 20 JKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)cn1 1790785578 SFDFTEPHEHBAJN-UHFFFAOYSA-N 492.501 5.271 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(F)cn34)cc2)CCC1)c1ccccc1 1790959610 MIKHLNKUNVKLOA-VWLOTQADSA-N 494.570 5.418 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1 1791104036 DSLIMFWGKJEOMN-VWLOTQADSA-N 487.625 5.263 30 20 JKED COc1ccc(/C=C(\C)C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)cc1 1791122521 DBTRUQRYEUQBPY-DYTRJAOYSA-N 495.579 5.183 30 20 JKED O=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1ccc(C2(NC(=O)CC(F)(F)F)CCC2)cc1 1791192763 GPMBBZDDKJPVNK-UHFFFAOYSA-N 476.392 5.474 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(F)CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791244427 RSPGIGBFIWPJEP-IBGZPJMESA-N 487.616 5.072 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ncccc5[nH]4)CCC3)cc2)c1 1792127172 RXTTUNIAZJQELF-GOSISDBHSA-N 463.541 5.251 30 20 JKED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1793606225 IOVLDFLXMZZYBF-ZZCLBJKQSA-N 463.087 5.206 30 20 JKED O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3c1oc1ccccc13)C2)c1cccs1 1796897627 DVWMQFKFOFYWOD-JGAQQDJLSA-N 484.577 5.338 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3cccc(Cl)c3)CCCC2)cc1 1802187959 TYMJPKJJVIMBII-QEIWAGNOSA-N 476.020 5.170 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1802390484 NDUZEIQVNNNSJN-XRKRLSELSA-N 480.612 5.029 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1802720138 SZCDADBHDMPGNP-LADGPHEKSA-N 451.998 5.131 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc(C(F)(F)F)ccc4[nH]2)C3)c1 1803681748 XPQBKHAAVVZEGL-RWXMBLCBSA-N 494.517 5.379 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1)c1ccsc1 1805423538 XXCFFTQDVBXLTE-XTEPFMGCSA-N 491.616 5.176 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)CC1 1805623777 WPYDWRVHSLAUKH-YNEXMFEJSA-N 487.084 5.436 30 20 JKED CC(C)c1csc(C(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)C2)n1 1807357854 OYXWNCKSIGBQCH-IBGZPJMESA-N 464.635 5.052 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1 1810275474 XYFHXRFORBAMEO-XXBNENTESA-N 488.129 5.167 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(F)c(F)c3)C2)CC1 1810387836 YUZQDDFVXDICLD-LJQANCHMSA-N 467.560 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1810498305 LNHPQIISIDBSNJ-XMSQKQJNSA-N 467.660 5.670 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810590822 KGCHQZPFOPVBMA-RDGATRHJSA-N 498.067 5.834 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4ccc(CC#N)cc4)[C@@H]3c3cccnc3)sc2c1 1811365580 XJUKQYQEMOIVNI-IGKIAQTJSA-N 494.620 5.304 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c1 1811424482 KTERMTWUGDVMRN-YADARESESA-N 493.394 5.202 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)c1 1811722852 SPXPRNZMKHQJCD-FNEJZAFDSA-N 488.607 5.018 30 20 JKED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1813043137 JWDLMDXLYSCKRY-GEWUYGHSSA-N 481.706 5.379 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1814106996 BMRURLFQSGGOMB-AMGIVPHBSA-N 473.661 5.410 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)[C@@H]2c2cccnc2)c2ccccc12 1814300233 PSMAPKNSUTZRCU-MLKSZZLFSA-N 489.685 5.136 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)[nH]n2)C1 1814397661 QQLANKCSRLQTPG-NRFANRHFSA-N 497.571 5.168 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1815214947 KHTRNWPBJXIGGC-RHSMWYFYSA-N 472.998 5.175 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1815247700 OSBMIHAMBXVVBB-SJLPKXTDSA-N 473.401 5.116 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnn(C(C)(C)C)c2Cl)n[nH]1 1816198603 JXGVBPXDGJFMKC-SFHVURJKSA-N 475.037 5.313 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)nc2)n[nH]1 1816493872 YGGTUUOEKXPLDT-KRWDZBQOSA-N 463.504 5.122 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1817097397 AHQYPGOTUIZAPY-HNNXBMFYSA-N 480.384 5.216 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)n[nH]2)C1 1817945492 XYRGBJRHGSYLJR-IBGZPJMESA-N 451.958 5.125 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818117585 YVVROTWURXNDMB-GNNUASRNSA-N 490.629 5.269 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COCc2ccc(C)c(C)c2)n[nH]1 1818136381 CLAKHEDNAWDLEH-DEOSSOPVSA-N 464.610 5.004 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818210952 UUHFETRZZJSXEU-PBHICJAKSA-N 450.461 5.096 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4cc5ccccc5o4)sc3C2)c1 1818638844 NZNMBGGAXIKIMI-GKPCGMKMSA-N 496.592 5.456 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1)c1ccccc1 1819190493 PTXPKBIQHSRPKI-CVDCTZTESA-N 485.613 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1819309103 MPIIPBYBIOZXAD-UTKZUKDTSA-N 451.958 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)c(OC)c(C)c2)[nH]n1 1819309107 MPRRBVIBANBBMO-RBBKRZOGSA-N 450.583 5.109 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)[nH]n1)c1ccccc1 1819519687 XHRUJGAYZXICFQ-AZGAKELHSA-N 483.616 5.179 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)[nH]n2)c1Cl 1820219000 KAXBLXWDVSRFLT-HNNXBMFYSA-N 474.373 5.269 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc3cccnc3cc2F)n[nH]1 1820839220 WZAPFQPEASIINB-XMMPIXPASA-N 475.568 5.100 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)n[nH]1 1821087962 OQOUPXNHUYEVDQ-SFHVURJKSA-N 464.463 5.067 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523936 GRFJWSGSRXNXRN-HTAPYJJXSA-N 471.561 5.669 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2Br)n[nH]1 1822514174 GABDDBXEUONSRI-DZSIALKYSA-N 471.399 5.090 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1)NC(=O)OC(C)(C)C 1822983157 SJGPEBBNVURXCR-WXJXEWBDSA-N 499.656 5.008 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCCCC3(F)F)[nH]n2)cc1C#N 1823291455 SLFBJBYDFWQYSF-CTNGQTDRSA-N 499.562 5.200 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)c(Cl)c3)n[nH]2)CCC1 1823310506 FHTNWZXYAQIDHP-INIZCTEOSA-N 480.783 5.370 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCC(F)(F)C3)CC2)cc1C#N 1823698607 ZWCROKPRCKOWPC-FYYLOGMGSA-N 487.591 5.014 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826479760 XLQFOCIJJPQMTO-HSZRJFAPSA-N 462.556 5.061 30 20 JKED Cc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1826493367 DDBGCZPPSQMART-AJTFRIOCSA-N 457.618 5.098 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1827334383 LVCJIQANUGLRRH-HFZDXXHNSA-N 475.633 5.203 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1828826759 BMCQGZNFRIMJLM-AZGAKELHSA-N 460.622 5.078 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(Br)nc2C)CC1 1828829240 ZIPNSTFDYPHGOV-RTBURBONSA-N 494.499 5.216 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)Nc3ccccc3)CC2)c1 1828850643 VOINAEGGWPOUGV-LOYIFYEOSA-N 472.633 5.048 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(Cl)s2)CC1 1828906546 SISPDYVSAPKHER-LJQANCHMSA-N 480.150 5.081 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccn3c2)CC1)c1ccccc1 1829033251 TYDFMLDRHUZTGH-CLJLJLNGSA-N 487.669 5.431 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1829068971 BAMVMPUUXOJKBU-JOCHJYFZSA-N 453.652 5.522 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829565445 XBTUZJQXAOFIGS-HHHXNRCGSA-N 479.624 5.253 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C)CC1 1829943837 DCAQRRGHYNNZSC-JWQCQUIFSA-N 497.680 5.088 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)c1 1829953758 LQZASFLICSKPCL-VSFTXHECSA-N 495.545 5.524 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)c[nH]c2c1 1830016358 JUJRVRUIBSBTDC-LKXQCNMVSA-N 480.612 5.295 30 20 JKED COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1C 1830072241 RVOMXVZTJCTQSV-HFZDXXHNSA-N 473.617 5.178 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1 1830359457 XEWABEFIIGXPQG-DQEYMECFSA-N 497.680 5.088 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1830416527 UVBWHWYNWJBFJU-ATIYNZHBSA-N 490.648 5.091 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830653816 FOPSMNCSSCDMGJ-YWZLYKJASA-N 486.415 5.167 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c(OC)c(C)c2)CC1 1830676552 KGDQDSYUUZZYLN-LOSJGSFVSA-N 452.639 5.314 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c1 1830770618 DEINWDRGIOIRAR-OAQYLSRUSA-N 456.011 5.129 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830781100 LWRLYQUTHXXGJM-HTAPYJJXSA-N 467.437 5.126 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1)C(F)(F)F 1831140992 GGYWAZDNPMLHKO-GOSISDBHSA-N 471.589 5.228 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)S)CC2)cc1Cl 1831844518 ARWUTMHXVXORPN-MGPUTAFESA-N 487.493 5.332 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1831851462 FFRILCSQDJZVHZ-HHHXNRCGSA-N 483.656 5.851 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1831851793 YLUBWBCDXXMVLP-HSZRJFAPSA-N 487.978 5.203 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1831947983 BGXMZGGUUJGWMH-HXUWFJFHSA-N 456.936 5.097 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1 1832632723 BESTZQAYEJEUHM-IBVKSMDESA-N 469.585 5.607 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)c2ccccc12 1832996257 PQQTVUKNWRRGEG-AREMUKBSSA-N 459.634 5.250 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)CC1 1838354145 YZSBLTPQIURBGA-OAQYLSRUSA-N 484.040 5.202 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174148 MIORRAKWSZCJOH-UHFFFAOYSA-O 476.544 5.441 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179997 QDMISRAYVRUKNA-UHFFFAOYSA-O 495.690 6.378 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)c(F)c1 10832117 SOEPIDUZDXMCBX-UHFFFAOYSA-O 493.986 6.547 30 20 JKED CC[C@H](C)n1c(SCc2cccc(C#N)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 11416438 BBIIWXDAQNVFEI-SFHVURJKSA-N 483.663 5.111 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(C3SCCS3)cc2)n(C2CCCC2)c1C 12819780 QGVZUYDFZOJLGC-UHFFFAOYSA-N 469.632 5.366 30 20 JKED CCCc1cc[n+](C(C(=O)c2ccc(Cl)s2)=C(S)Nc2c(C)cc(C)cc2Cl)cc1 15248358 FYEGDPLWGRWAMU-UHFFFAOYSA-O 478.490 6.963 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)N(CCC#N)c1ccccc1 21685067 IVJUYFUTEFIHBU-GOSISDBHSA-N 492.004 5.667 30 20 JKED C=CCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2scc(-c3ccccc3)c2c1=O 21832678 WRIBPPCUEFOFEB-UHFFFAOYSA-N 493.013 5.265 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1-c1ccoc1C 21925062 OIVDXYQUHLJTCO-QFIPXVFZSA-N 489.557 5.721 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22692828 WEDAOCDUSHMVBD-UHFFFAOYSA-O 461.651 5.626 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1 23982355 KOUQNAHRWUONSQ-UHFFFAOYSA-N 480.895 5.391 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 72025235 BZKXSPAKMHZZPN-UHFFFAOYSA-N 487.968 6.879 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 107648380 UNFQCIMSELAJBM-QFIPXVFZSA-N 475.379 6.454 30 20 JKED C=CCn1c(SCc2nnnn2-c2c(C)cccc2C)nc2scc(-c3ccccc3)c2c1=O 108718982 ATXQVIUERFVVDV-UHFFFAOYSA-N 486.626 5.196 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 247972210 BCFULJSTCLXSAQ-BYXVTNLJSA-N 480.568 5.466 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c(C)c1 255230518 UZBZJRNYAYNPQX-NRFANRHFSA-N 451.523 5.196 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 303039845 ZOGGKBJPRUOJAN-UHFFFAOYSA-N 462.903 5.057 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)n2)cc1F 303179462 KNHRCAMXZSIICI-UHFFFAOYSA-N 456.477 5.206 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 303336168 XODAPHZASZHGHR-JPYJTQIMSA-N 478.017 6.092 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1OC(F)F 478937392 QXDONVROCLHISH-UHFFFAOYSA-N 488.337 5.547 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](CNC(=O)Nc4cccc(F)c4)C3)c2)cc1 486243287 IOIBWWAAPFUUMM-HXUWFJFHSA-N 472.520 5.164 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCCCC2)nc2sc(-c3ccccc3)c(C)c2c1=O 498572659 QCTFRELAYGCCOS-KRWDZBQOSA-N 453.633 5.113 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(Cl)cc1 501207992 JCPJXAJNOFNUPA-CYBMUJFWSA-N 458.374 6.341 30 20 JKED C=CCN(C(=O)c1oc2ccccc2c1CSc1cccs1)c1nc(C(=O)OCC)cs1 501957295 KVHADORDJISSQB-UHFFFAOYSA-N 484.624 6.253 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)n2)cc1 502762167 YWXMDEZHGMYSTG-GOSISDBHSA-N 452.461 5.813 30 20 JKED CCCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 505321407 UKZIMNVIPFNCPK-UHFFFAOYSA-N 481.596 5.294 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1 505670617 DYEHPUATZYHJTO-UHFFFAOYSA-N 459.893 5.154 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)nnc1C1CC1 505887085 ROUAUTBCWQCDKQ-UHFFFAOYSA-N 479.553 5.794 30 20 JKED C[C@H]1CCc2c(sc3nc(SC[C@@H](C#N)CCC#N)n(CCc4ccc(F)cc4)c(=O)c23)C1 508426299 NZUSQAVXUAUIEJ-FUHWJXTLSA-N 480.634 5.500 30 20 JKED CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1[N+](=O)[O-] 510487310 AIXSCCZRDTZZOD-QFIPXVFZSA-N 488.500 5.463 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C2CC2)o1 511499206 MIYRWQFJPVCZQX-MZNJEOGPSA-N 454.530 5.723 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)cc1Cl 512198177 UPNDHANZSCRJFN-GMAHTHKFSA-N 463.990 5.229 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 518642612 CBNGTUJNWWLNCK-INIZCTEOSA-N 496.976 6.110 30 20 JKED CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518676884 VITWTWGTLDHVSN-UHFFFAOYSA-N 473.879 5.101 30 20 JKED C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 520553538 GLYDMVDWFNGYBY-UZUQRXQVSA-N 499.478 5.021 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 520601479 TXBJBCDBCMHLSE-UHFFFAOYSA-N 487.947 6.498 30 20 JKED C[C@H](NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)c1c(F)cccc1F 594459107 WCKCLGAPSLKUII-QMMMGPOBSA-N 480.771 5.646 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 597257035 PQFDWVKQUPZPRZ-LJQANCHMSA-N 486.572 5.011 30 20 JKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1Br 603673378 NFSURXIDFRNAKA-GOSISDBHSA-N 485.765 6.027 30 20 JKED CCCc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cnn1Cc1ccccc1 603728832 PKBDLERFHKWOMF-UHFFFAOYSA-N 474.615 5.152 30 20 JKED CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)c(C#N)c1C 604547745 LNXUEKDLSMDNDF-AWEZNQCLSA-N 483.619 5.065 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccnc(Oc4ccccc4)c3)cc2F)c1 609124003 OSVLUYLBWCCIRX-UHFFFAOYSA-N 468.488 5.785 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Cc3sc(-c4ccccc4)nc3-c3cccs3)CC2)c1 609184656 PYLJUHVANHBVQM-UHFFFAOYSA-N 485.634 6.023 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nc(=O)ccn3C(C)C)c2C#N)C1 609227761 NHOZNZQAIRXEAS-HNNXBMFYSA-N 458.653 5.029 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccccc1 609371536 NHTUJYHLTLURHY-QZTJIDSGSA-N 465.648 6.041 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 609389785 SAFNRFXSCWSMAW-AWEZNQCLSA-N 458.996 5.514 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 609401976 OINQACQJORZYMK-QGZVFWFLSA-N 464.557 5.553 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(Oc4cccnc4)c(F)c3)cc2)c1 609434494 QVRNUASHIZSLEK-UHFFFAOYSA-N 454.461 5.999 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cn2)cc1 617927563 IBNDDNSCCYCDFD-UHFFFAOYSA-N 460.921 5.526 30 20 JKED O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 618301088 JOIXRNAPHTXEFY-HUUCEWRRSA-N 461.368 6.107 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539052 GKUXOHVHXFFAGQ-BETUJISGSA-N 493.370 5.137 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc(C)nc21 726320501 YMPAGSCCLOJOML-RXVVDRJESA-N 467.529 5.464 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 726324752 FNQBYQPIHYCDHH-LJQANCHMSA-N 499.539 6.380 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@@H](C)c1cccs1 726423186 ZROOZUCEIGUHBY-UTRNRQSPSA-N 494.082 5.525 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1 727780306 KMWDTWJFOIXEOZ-LFYBBSHMSA-N 462.390 5.181 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)cc1 728412255 STXWLHDUINEVKV-QGZVFWFLSA-N 470.360 5.186 30 20 JKED CC(=O)N(c1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1)c1cccc(C)c1C 728668912 DZPZFTDAEQVQJC-UHFFFAOYSA-N 497.576 6.466 30 20 JKED O=C1/C(=C\c2cccnc2Cl)CN(CCc2ccccc2)C/C1=C/c1cccnc1Cl 728698843 PNYVHKMCUARVBY-HHQODBOJSA-N 450.369 5.378 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(O[C@@H](C)C#N)cc1)C(=O)c1ccccc1 728699532 TVKVCXUCHTYICA-VIHXGXMLSA-N 452.554 6.007 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](c1ccccc1)c1cccc(Br)c1 729112663 HWWXHQFSHZLQAO-QHCPKHFHSA-N 465.347 5.304 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](c2ccc(F)cc2)C2CCC2)cc1F 729145128 IESJNLWXDBWKBY-VWNXMTODSA-N 499.583 5.115 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 729634210 JMUBHVXACSOODB-JOCHJYFZSA-N 496.995 5.021 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)cc1 730460330 XZRWWWOCAPZMGI-HXUWFJFHSA-N 474.989 5.058 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)C(=O)N1C1CCC1 730460934 ITRZKEMJJLSFOW-NRFANRHFSA-N 488.009 5.178 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)cc1F 730532558 OXCPJMCMXOIBAH-NRFANRHFSA-N 482.968 5.343 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(C)c(F)c1 730537527 VLWXUYNHWLNKBO-GOSISDBHSA-N 478.933 5.066 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1C 730711861 HDUOVQFXIAVINB-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H]2CCc3c(Cl)cccc32)cc1 730717133 FRLMWTBPXVMLII-NHCUHLMSSA-N 492.004 5.086 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730943632 HRKJTWSHLAOSKQ-SBUREZEXSA-N 494.567 5.698 30 20 JKED C#CCOc1ccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1 730981561 VQTZNENWQYMFBI-UHFFFAOYSA-N 450.604 5.272 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCSc2ccccc2)C1=O)Nc1cccc(O)c1 731306216 LGAXUXRFBCZQHV-QFIPXVFZSA-N 495.601 5.284 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)cc1C 731310373 GRNSTZAPRSCSRX-FDDCHVKYSA-N 474.586 5.126 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)s1 731311807 FKCPIXQGNBRIGJ-AOMKIAJQSA-N 490.610 5.355 30 20 JKED C[C@@H](OC(=O)c1oc2ccccc2c1CSc1cccs1)C(=O)Nc1ccccc1C#N 742980224 KKBKFQFVBWJGMB-OAHLLOKOSA-N 462.552 5.842 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2cn(Cc3ccccc3)c3ccccc23)c1 744796016 BJYYGQBYKJBIPV-UHFFFAOYSA-N 469.570 5.040 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2sc(N(CC)CC)nc2s1 744935660 BTOYYQVYHMUVKX-MRXNPFEDSA-N 454.621 5.290 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 745764986 LNQLZZCBGMYNLZ-UHFFFAOYSA-N 493.673 5.168 30 20 JKED Cc1ccccc1-n1c(-c2ccncc2)nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c1=S 746061874 MGWQIJHQEZAOLR-UHFFFAOYSA-N 468.630 5.761 30 20 JKED CC(C)(C)c1nc(C#N)c(NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)o1 746497489 HOQSZFHYLACSGB-UHFFFAOYSA-N 478.512 5.249 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cscn3)C2=O)cc1 747599149 GNDJQWVADOPWQK-OAQYLSRUSA-N 498.605 5.232 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CC[C@H](C)c2ccccc2)C1=O 749739367 BIKVKBXPGZWZHW-KXBFYZLASA-N 477.602 5.263 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CC(F)(F)F 799212874 LRHQVNJHFDHGAZ-MRXNPFEDSA-N 473.879 5.310 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2ccccn2)cc1 838038389 ZURYUWJNULCURX-KSFYIVLOSA-N 495.004 5.465 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2F)c1 838535733 IYWHDADFZWVLOM-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1F 838556782 YSPGECAZWWSEQJ-LJQANCHMSA-N 481.952 5.005 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1F 838570451 FEQCCAXWZJSNAE-SFHVURJKSA-N 485.478 5.744 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1F 838576023 UCFMYLBKJOONBV-QFIPXVFZSA-N 483.540 5.115 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N2C3CCC2CC3)ccc1Cl 862900916 FHZOJIXVUZZUBL-UHFFFAOYSA-N 465.402 5.142 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(-c2nc(-c3ccco3)no2)ccc1Cl 904758601 NWGMJWOVFRAAPK-UHFFFAOYSA-N 476.341 5.685 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 911527128 WVTZNOLUAAEXMQ-JTQLQIEISA-N 491.158 5.196 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1F 914541434 SQJYXSXXLQPUFV-LJQANCHMSA-N 453.564 5.356 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1Cl 914882378 LZJWKJDTBJWPHH-GFCCVEGCSA-N 482.393 5.341 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 914951176 FBUNUIWLWMCCTF-IBGZPJMESA-N 493.412 5.058 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 915086265 JAHSBRQLKURYEZ-DHLKQENFSA-N 457.961 5.486 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(COCc3ccco3)c2)cc1 915353351 NFSAKFFDHUYOBV-MHZLTWQESA-N 451.526 5.974 30 20 JKED Cc1ccc(-n2c(-c3cccc(C)c3)nn(CN(CCC#N)Cc3cccnc3)c2=S)cc1 915796092 WZWLHRQFXLJLCV-UHFFFAOYSA-N 454.603 5.456 30 20 JKED COc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)ccc1OCc1ccc(Br)cc1 915984124 AAFZBXKJTQPZLK-PDGQHHTCSA-N 499.382 5.090 30 20 JKED C=CCn1c(SCC[S@](=O)c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 915992157 QGIDHKQXZCVZAD-PMERELPUSA-N 452.626 5.211 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])s2)c(C(F)(F)F)c1 916054672 AEPPIDSNWFBIDN-UHFFFAOYSA-N 466.828 5.438 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)c1 916209887 ULTLZSUHOGBVMO-OAQYLSRUSA-N 499.976 5.111 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)cc1 916213348 BLMXDSKGHWIXIQ-IBGZPJMESA-N 479.524 5.330 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 916721473 XVFLLOPQJGXTPZ-QRPHSONGSA-N 489.041 5.302 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916888834 ZXUCOGGYERMFHN-NRFANRHFSA-N 488.519 5.815 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 916889856 IYPMZLAFGIFJIA-FUTAKVPZSA-N 456.342 5.094 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 916900816 TUKWNPFIDMIAKJ-MRXNPFEDSA-N 499.951 5.380 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2cccc(Br)c2)o1 916909262 SRTNDOSZJYMKGF-OAQYLSRUSA-N 495.373 5.707 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccc(Br)cc2)o1 916910546 HXGKZEQXLRUUDD-MRXNPFEDSA-N 473.710 5.236 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916932460 VXFVFVHUVHLHKS-SFHVURJKSA-N 458.345 5.473 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc12 916942797 PDVRXSDWDOLTRE-IBGZPJMESA-N 483.380 5.723 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1csc(-c2cccc(Br)c2)n1 917030034 QXFGDUBSVBTLEB-UHFFFAOYSA-N 486.420 5.401 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cs1 917559917 FDRLDSABRQUVBF-KPKJPENVSA-N 492.988 5.690 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O 917678103 OWSMKKZGKVRFAO-FQEVSTJZSA-N 469.563 5.056 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1ccsc1 917694044 AGCWRGAHRLZPCZ-OAQYLSRUSA-N 465.600 5.226 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)CC1 918044238 JDDBYXQWGBXYKT-UHFFFAOYSA-N 452.345 5.281 30 20 JKED Fc1cccc(Nc2nn(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(=S)s2)c1 918732071 FOBAEUNDMKITRT-NXEZZACHSA-N 460.444 5.577 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 919864265 PKPJBIGVPKSWBQ-UHFFFAOYSA-N 453.523 5.941 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 920105518 HGJSRYWXTVVNCI-IBGZPJMESA-N 463.946 5.300 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)n2)cc1 920143335 PCFJTWVOPICVDD-KRWDZBQOSA-N 481.002 5.125 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nccn3-c3ccccc3C)n2)cc1 920143343 PFOYUPPLMBUTTC-IBGZPJMESA-N 460.584 5.281 30 20 JKED Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)o2)cc1 920893151 PJNFWVGILJXPEZ-IBGZPJMESA-N 455.518 5.357 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2ccccc2SC(F)F)cc1C 920893673 FJGVNDXVXSDAAW-UHFFFAOYSA-N 484.528 5.191 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)C45CC(C(F)(F)F)(C4)C5)CCC3)cc2)cc1 1785795163 XZOZBJKMHKQWFZ-UHFFFAOYSA-N 481.518 5.358 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(F)(F)C3)cc2)CCC1)c1ccc(O)cc1 1785803359 QFUDFBSFUVRANI-RTWAWAEBSA-N 480.555 5.459 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCc3cc(Br)ccc3F)cc2)CCC1 1786350915 NUWRSOGMJWCGBQ-UHFFFAOYSA-N 471.370 5.068 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)Cc3cc4cccnc4cc3F)CCC2)cc1 1786394644 DHGFIPPFXBQNJK-XMMPIXPASA-N 465.594 5.005 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cn3)cc2)CCC1 1786873703 XHWSERHCLKDVIL-NRFANRHFSA-N 479.568 5.122 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4coc(C(C)C)n4)CCC3)cc2)c(O)n1 1787171959 RGLLRAJOXCFVMQ-UHFFFAOYSA-N 474.561 5.079 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)cc2)CCC1 1789106606 YWGYMMDDQAQZKR-GGAORHGYSA-N 499.627 5.236 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cc2)CCC1 1789107410 QKBRWCPEDOFHPT-SFHVURJKSA-N 467.997 5.307 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)cc2)CCC1 1790079801 QHTAMENBOIMKTI-SFHVURJKSA-N 475.589 5.146 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccc(C(F)(F)F)c4)CCC3)cc2)c1 1790146533 WDDBVYPYSHLDOG-BJMVGYQFSA-N 478.474 5.366 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)(F)F)c4)CCC3)cc2)c1 1790255317 YFURPGINOFIKMG-UHFFFAOYSA-N 464.447 5.034 30 20 JKED COc1cc(C)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1790604126 OYKRSOQLAAGPAL-UHFFFAOYSA-N 453.542 5.131 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)c(Br)cc3Cl)cc2)CCC1 1790648699 OEQLJSBSUXZNBF-UHFFFAOYSA-N 478.749 5.293 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)cc1 1790707879 RUDVZFBMLSFVNU-UHFFFAOYSA-N 460.537 5.362 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncoc5c4)CCC3)cc2)c1 1790796014 NYFAJASMDSLACS-UHFFFAOYSA-N 450.498 5.069 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791007620 BDRUJHSZBFHQGN-FDAWAROLSA-N 491.547 6.046 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccccc4F)cc3)CCC2)c1 1791982454 QLEXSARTIMKAQF-UHFFFAOYSA-N 471.532 5.086 30 20 JKED CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)c1 1792191807 QGFRMTSHUCSQFI-UHFFFAOYSA-N 486.959 5.232 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)c1ccccc1)c1ccc(C#Cc2ccccc2)cc1 1793966237 XUOHOFIMYYPQOL-JUDWXZBOSA-N 466.556 5.049 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3)nc1)C2 1798420761 RZLOOALMJIZELN-QEIWAGNOSA-N 473.693 5.052 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1802503065 PMHUAGBKMZHFQB-JTSKRJEESA-N 475.967 5.325 30 20 JKED COc1ccc(F)cc1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(C#N)CCC2)c(Cl)c1 1804112653 VNPFFJOJCVNNIR-ACDBMABISA-N 495.982 5.100 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cncc(-c4ccccc4C=O)c3)CC2)C1 1804866935 ZREYKIYLLOMTMI-UHFFFAOYSA-N 487.644 5.398 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c(-c4ccccc4)noc3C)C2)CC1 1808045893 COBYJGRCAXNDIM-HSZRJFAPSA-N 461.606 5.263 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808542360 ITTATMXYWNUVFO-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2ccc(C)cc2)[C@H]1c1cccnc1 1809469638 GEQBYPJFXXNWEP-RCZVLFRGSA-N 465.663 5.181 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc3cc[nH]c23)[C@H]1c1cccnc1)c1ccccc1 1810443163 DGURZLIZYZTIHE-ALTZYDRJSA-N 490.607 5.080 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc3sccc3[nH]2)[C@@H]1c1cccnc1)c1ccccc1 1810443726 MABDZLIISMDRJE-QSEAXJEQSA-N 496.636 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1 1810495306 MUCQJRXTLRXBBT-OFNKIYASSA-N 450.627 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1811217316 AJGJNVJBYGOZAJ-PQNGQFLHSA-N 451.998 5.131 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1811419619 ILGCAWWAQMFNBO-FPDDQMOCSA-N 487.003 5.038 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3ccc4occ(Cl)c4c3)[C@@H]2c2cccnc2)c1 1811436731 XBURJIUNGPGZCX-LVXARBLLSA-N 498.970 5.295 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@H]1c1cccnc1)C(F)(F)F 1812676668 BPBIASFUIPWDRR-ZMVGRULKSA-N 473.539 5.036 30 20 JKED CC(C)C1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CCC1 1813665080 DPBXOKURLDBVQX-REWPJTCUSA-N 498.549 5.118 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1814067051 HNQHRBGFWZSPKW-ZHHKINOHSA-N 479.587 5.449 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)[nH]n1 1814828839 UYQXYZJGRIHSDN-CVDCTZTESA-N 450.583 5.028 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(C(C)=O)cc2)n[nH]1 1814960997 SWSKKUJKPYPTME-RUZDIDTESA-N 492.620 5.232 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1815245133 GGHRJAMLDLYCHW-YADARESESA-N 491.617 5.411 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817678360 SFJIHCHEDFZBSY-SFHVURJKSA-N 486.041 5.971 30 20 JKED CCc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)cc(C)n1 1818366524 CZFGRPFAXOEPLJ-HSZRJFAPSA-N 479.701 5.033 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)cc1 1819026656 OVPPNEIRTHNSGF-IBGZPJMESA-N 489.626 5.496 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@](C)(OC)c2cccc3ccccc23)n[nH]1 1820705240 XEDZCPKRYOGYSU-HGIQPGCESA-N 474.605 5.329 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4sccc4Cl)sc3C2)c1 1820894118 KTTBYFDGZGJQAY-SWLSCSKDSA-N 471.007 5.025 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccncc3-c3ccccc3)sc2C1 1821000381 XCNNXMWLXNABAP-WOJBJXKFSA-N 472.614 5.199 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)n[nH]2)cc1 1821087323 VMHWNUZELWYIOV-HXUWFJFHSA-N 485.441 5.059 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1)c1ccc(O)cc1 1821538181 FRCJOJDSWZUIAO-BWKNWUBXSA-N 496.567 5.365 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)[nH]n2)c1 1823216397 JAMYPUDKQRIACX-ZHRRBRCNSA-N 493.514 5.258 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)CC1 1824127090 AYZGEZPWQSUHHI-NSOVKSMOSA-N 477.693 5.291 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824322302 RFPXGKUAFULWCW-RUZDIDTESA-N 494.035 5.086 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)CC1 1826679278 YTSGGJPLVGHVHF-BNVTUTKDSA-N 482.068 5.537 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827263365 CGTMXZUEGHOHEY-OAQYLSRUSA-N 490.069 5.166 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cncc4s3)CC2)c1 1827266133 JIFHTSFCQMNTPR-QFIPXVFZSA-N 493.032 5.368 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(F)cc2F)CC1)c1cccs1 1827680998 BGDUEOIXOUDGCS-PYEUUQPJSA-N 498.595 5.098 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4sc(C)nc4c3)CC2)c1 1828253768 OTUGXNOUYCGEII-RUZDIDTESA-N 486.641 5.332 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)cc1 1828458389 CTWRFKPHMRXHFO-FDBFMKMFSA-N 461.650 5.398 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828657192 ZJJWECNRHUCERS-RUZDIDTESA-N 495.461 5.639 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(C)(C)C)c2)CC1 1828821893 UHSIOUDVTNYDMC-BJKOFHAPSA-N 451.655 5.381 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(OC)ccc3o2)CC1 1828827971 APOBDTWESVWCGO-RPWUZVMVSA-N 464.606 5.443 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(SC)cc2)CC1 1828828921 ALGZYOHLVWHJDH-DQEYMECFSA-N 454.680 5.339 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1 1829066351 CJAZIBHEYMJQHJ-QFIPXVFZSA-N 471.045 5.213 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccc(F)cc2F)CC1 1829068504 ZKVQIKVBECAUHG-QFIPXVFZSA-N 478.649 5.669 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC(F)(F)F)cc3Cl)CC2)C1 1829657165 LLKZTYHDAOCZER-JOCHJYFZSA-N 498.973 5.481 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)cc2n1 1829688817 JKROUWDFCQWEKN-JOCHJYFZSA-N 490.991 5.208 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)ccc1F 1829689706 NINGFPQGLAGLTA-HSZRJFAPSA-N 467.972 5.206 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c1 1830770195 NTURAFXAWOPAKI-RUZDIDTESA-N 455.558 5.160 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c(Cl)c1 1830990842 LXHVUBKGVKLWNW-XMMPIXPASA-N 475.976 5.505 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1831372665 GMLIZMRGMYVFCA-GAJHUEQPSA-N 486.454 5.376 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1831374578 QYLRHDPQYSAJBR-IIBYNOLFSA-N 454.508 5.290 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1)C(F)(F)F 1831451521 WOLLHUCCXRIDJF-NRFANRHFSA-N 499.533 5.575 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1832372783 YQHDCGPHBRXEFU-KKLQWCBXSA-N 456.030 5.271 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@@H]3OCCc4ccccc43)CC2)c1 1832629094 ITMZHDLGJGNZGE-WVLFPKRMSA-N 499.655 5.251 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)CC1 1832662004 OOJMJGLQRDRLHV-QHCPKHFHSA-N 461.046 5.574 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C)cc3Cl)CC2)CC1 1838424149 OPTYCPKTECTBGX-UHFFFAOYSA-N 461.046 5.253 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc4c(ccc5ncccc54)s3)C2)c(Cl)c1 1844639784 NXKNCYXOMNJGOS-UHFFFAOYSA-N 486.984 5.105 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)C2)c1 1844697747 YXLDEYNAFBNRFI-CQSZACIVSA-N 493.888 5.256 30 20 JKED Cc1nc2cccc(C(=O)N3CC4(CCCN4C(=O)c4ccc(C#Cc5ccccc5)cc4)C3)c2s1 1845392997 SCZSBLWCHUKEIB-UHFFFAOYSA-N 491.616 5.135 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](C)C#N)c3)C2)cc1)C(F)(F)F 1846830684 VPBVXPFAOIJZNS-OALUTQOASA-N 483.534 5.039 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc3ccccc23)cc1 11126297 IBMJITMCUKLAER-UHFFFAOYSA-O 462.545 5.522 30 20 JKED C=CCN(C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724323 QTNIQKAFZAHGGO-UHFFFAOYSA-N 484.965 5.101 30 20 JKED C=CCOc1c(Br)cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OCC 15503287 IVAHJVKMXBLBED-SBUREZEXSA-N 487.394 5.158 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)nnc1-c1cccnc1 18404867 QRBLKCQEADLGLQ-UHFFFAOYSA-N 494.045 6.062 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1C1CCCCC1 22283685 JYZRJOHTHNDIRH-KRWDZBQOSA-N 456.637 5.800 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 23542009 OHSQFIHDPUSPGM-OAQYLSRUSA-N 494.551 5.040 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(\S)Nc2ccc(Oc3ccccc3)cc2)c1 23603840 GHSXLNQMOKKREZ-UHFFFAOYSA-O 456.591 6.071 30 20 JKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 24876191 ILGFBSSCEQVFSD-UHFFFAOYSA-N 473.558 5.064 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)nnc1-c1ccc(Br)cc1 25190122 GVPQLTCJKYVVTD-SJORKVTESA-N 485.451 5.294 30 20 JKED N#Cc1c(NC(=O)COC(=O)c2cnc3ccccc3c2C(F)(F)F)sc2c1CCCCC2 25985803 ZXDKBMCQIYOJJD-UHFFFAOYSA-N 473.476 5.251 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 26106026 QEXNMYCCPVCHEX-UHFFFAOYSA-N 471.582 5.209 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 26846565 ITLMRUWICLVRHN-GFCCVEGCSA-N 471.991 5.378 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccc(Br)cc3)o2)c1C#N 27314642 VRCLGNQTJVZRGX-UHFFFAOYSA-N 452.337 5.157 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1c(C(C)=O)oc2ccccc12 32785963 PDFJVXVPJRWNQQ-QGZVFWFLSA-N 460.559 5.123 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](c1ccc(C)cc1)c1cccs1 32786710 ZXTVRCDKCFXKIO-VWLOTQADSA-N 474.655 5.423 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 71932933 LOEPTBJEUAUZAK-DEOSSOPVSA-N 486.959 5.582 30 20 JKED C=C(Cl)CSC1=N/C(=C/c2ccc(O)c(OCC)c2)C(=O)N1c1ccc(OC(F)F)cc1 206805064 IKJOLHDENGVOBD-LICLKQGHSA-N 480.920 5.622 30 20 JKED COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCCCC#N)cc(OC)c1OC 208988455 PPWQKELZZNODNZ-CYVLTUHYSA-N 472.541 5.598 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nnc(-c2ccccc2Cl)o1 255931051 RPGMIUKFXVZPJA-UHFFFAOYSA-N 474.373 5.692 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2sccc2c1=O 255931221 VBEQWZWIPSBQOR-UHFFFAOYSA-N 459.902 5.047 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 303336176 XODAPHZASZHGHR-WZONZLPQSA-N 478.017 6.092 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 409758468 FNNFJZIYFQDLBJ-NRFANRHFSA-N 455.283 5.227 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481172009 YTTZFXVUIKUTAY-UHFFFAOYSA-N 486.330 5.180 30 20 JKED CN(C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 485616597 CDBXVXDSAMBUDY-UHFFFAOYSA-N 485.487 5.464 30 20 JKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 491570712 SVWBUPPCRKUGGZ-GOSISDBHSA-N 472.545 5.209 30 20 JKED Cc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1NC(=O)c1ccco1 492613152 MCGLPNKCTOHKRL-UHFFFAOYSA-N 451.482 5.543 30 20 JKED CCn1c(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nnc1-c1cccs1 501467405 NXGKJNNNRQWYJX-UHFFFAOYSA-N 489.626 5.402 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1 502784288 MJSVXXLYKBZGFK-UHFFFAOYSA-N 479.511 5.710 30 20 JKED N#Cc1cccc(COc2cccc(CNCc3ccccc3-c3ccc(Cn4ccnc4)cc3)c2)c1 504161088 ARTKKETWQAAVCF-UHFFFAOYSA-N 484.603 6.339 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1[N+](=O)[O-])c1ccccn1 506140942 LZVQZPSTDAGAAC-LJQANCHMSA-N 463.497 5.210 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(OCc2ccccn2)c1 509910433 KBCPVBNCDHDXIO-QFIPXVFZSA-N 492.579 6.188 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3cccs3)CC2)cc1Cl 510023874 OAGICTKOYZREBY-JOCHJYFZSA-N 450.995 5.407 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510041408 CYFFMYGLGALJJD-UKILVPOCSA-N 490.003 6.217 30 20 JKED N#CCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(C(=O)c2ccccc2)cc1 510334553 CKOAIHPLHHRQEE-UHFFFAOYSA-N 475.932 5.112 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(F)c1 511372735 JZMHAMKZTPATLW-RUZDIDTESA-N 469.520 5.115 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)cc2)cc1 511742301 FHWUUGHXQHCLSZ-UHFFFAOYSA-N 455.495 5.384 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C 511907952 MROKHOYABQFDGU-MUUNZHRXSA-N 481.596 5.384 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1nc2ccccc2s1 513676707 JJQVSVOOLDTHGO-AWEZNQCLSA-N 466.316 5.394 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCc3cccc(Oc4ccccc4)c3)c2)cc1 515810020 IQRIPMBPDBIGEG-UHFFFAOYSA-N 491.547 5.379 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)n1 516793150 JJBWPWDNXCTBAK-ZDUSSCGKSA-N 473.963 5.086 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(CNC(=O)c4cccs4)cc3)n2)cc1 517800756 GKGCHMFLQXMIOT-FQEVSTJZSA-N 473.579 5.300 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 518260245 CROBXSSAPRGQKF-RBUKOAKNSA-N 459.571 5.689 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)cc2)c1 518731218 WVMUFLOCKAKYGR-UHFFFAOYSA-N 455.495 5.384 30 20 JKED C=C1CCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)CC1 519083297 BOTRIJLYDFWKQW-UHFFFAOYSA-N 481.017 5.528 30 20 JKED COc1ccc(COCc2cccc(NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)c2)cc1 520705444 BMDGNNKLYGXGMY-UHFFFAOYSA-N 476.476 5.103 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)cc2F)c1 524459062 UJRKFELFJCFCTR-UHFFFAOYSA-N 485.540 5.520 30 20 JKED C=CCN(C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 596360033 HSBXANNFKWKXSM-FQEVSTJZSA-N 481.560 5.004 30 20 JKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1 598583478 IEORTNIKHLTIGD-CVEARBPZSA-N 477.586 5.077 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc5ccccc5s4)CC3)cn2)cc1 603689939 UWNLFMRFMHZPDN-UHFFFAOYSA-N 455.543 5.767 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(OCc2ccccn2)c1 603829283 PVSVJHUJGGCHLN-IBGZPJMESA-N 465.513 5.602 30 20 JKED C[C@@H](N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 604046420 GTDRHFAFGHDICK-HZPDHXFCSA-N 464.928 5.281 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c(-c4ccccc4)c3Br)cn2)c1 604450556 VORMORZHVJVHGD-UHFFFAOYSA-N 460.291 5.150 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 608851223 VTTIJECJHKCRBC-QGZVFWFLSA-N 473.916 5.852 30 20 JKED CC(C)(C)c1ccc(OCc2ccc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)cc1 608951756 QXFSFOCORPJTGU-UHFFFAOYSA-N 468.601 5.229 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 609398783 QLUIWWYRMQQUSJ-KRWDZBQOSA-N 462.541 5.307 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 609403485 AABBOCGRYAXAQQ-BTYIYWSLSA-N 470.019 5.498 30 20 JKED COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)n2CCc2ccccc2)cc1 619673528 YPAFDEWJWMOBES-UHFFFAOYSA-N 457.515 5.127 30 20 JKED O=C(Nc1ccc(F)cc1Br)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642690821 ITDIHBCRNOLNER-MBTKJCJQSA-N 451.180 5.619 30 20 JKED CCCC(=O)Nc1ccc(O)c(C(C)=NNc2ncnc3scc(-c4ccc(C)cc4)c23)c1 725828304 BKOAFCQBOBZWPX-UHFFFAOYSA-N 459.575 5.947 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 726320413 XPKCSNIKCYIUKN-QFIPXVFZSA-N 470.504 5.641 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1F 726413641 ZCFZPUFBQZRYPH-UZUQRXQVSA-N 492.576 5.259 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccco3)C2=O)c1 726419155 DEXYSWHLEMQJEX-GHOODTAESA-N 467.616 5.548 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(Br)cnc2Cl)cc1 726502467 KNIPHLCTSQYLJK-UHFFFAOYSA-N 456.727 5.395 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2nc(C)cs2)ccc1Cl 727669122 FGWMXMRDOKEKLJ-OAHLLOKOSA-N 494.013 5.116 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2cccc(OC3CCCC3)c2)n(Cc2ccco2)c1C 727886468 NZZFKDRBOHBOHJ-SEYXRHQNSA-N 487.556 5.134 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)cc2Cl)cc1 727989048 PYHJSMKAPKAQET-LJQANCHMSA-N 472.713 5.852 30 20 JKED CCNC(=O)COc1ccc(/C=C2\CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1OC 728438719 LXODQLKHQXXQQO-SFQUDFHCSA-N 482.989 5.200 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CCCCC#N 728777050 IKSKNYWLAZHUKE-HXUWFJFHSA-N 488.535 5.668 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCCCC#N)C2=O)cc1 728777912 AJUBVPRZEXUXIC-DEOSSOPVSA-N 488.613 5.032 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1 728778076 OKLXUWNCXNGVOK-CIKHDRDXSA-N 482.631 5.034 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1OC 729427531 MAQMSOOAWASREF-BWKNWUBXSA-N 466.990 5.561 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 729889550 PNOKYXNNASXNOQ-ISJBWFOZSA-N 489.616 5.159 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Br)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730460614 CMOXIIYRSPODMS-GOSISDBHSA-N 476.371 5.101 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(C2CCC2)C1=O 730462880 QOESPFJYVLZMOS-GSKFSTGDSA-N 478.039 5.352 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](O)c3cccc(C(F)(F)F)c3)cc2Cl)c1 730904636 UGJTZVIOPZMRQD-NRFANRHFSA-N 489.881 5.665 30 20 JKED CCn1ncc2c(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)cc(-c3ccccc3)nc21 731071053 KSGPRMPBQDDKBY-SFHVURJKSA-N 499.596 5.165 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(CC(F)(F)F)C2=O)cc1 743526982 XPFSPVVTQXOSEZ-GOSISDBHSA-N 483.487 5.055 30 20 JKED C[C@H](Oc1ccc(F)c(F)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 744936735 WOTUYJYLXRSZRU-HZMBPMFUSA-N 453.297 6.039 30 20 JKED COc1ccc(/C=C(\Cl)c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)cc1OCCCC#N 747361235 ISMLGSWZLHGMCX-YBEGLDIGSA-N 463.843 5.370 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O 747603734 WSFNPWSQDALZFZ-NRFANRHFSA-N 498.605 5.232 30 20 JKED CC[C@@H](C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)[n+]1ccc(Cc2ccccc2)cc1 749892783 YWXVOHKXCMETCW-OAQYLSRUSA-O 488.677 5.571 30 20 JKED COC[C@@H](C)n1c(SCC(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)nnc1-c1ccccc1 751041180 XLGYHTDWIKEFQM-LJQANCHMSA-N 484.581 5.389 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(F)(F)F)cc1 799219476 RNZRGHAXRBTVIH-HXUWFJFHSA-N 471.504 5.671 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(F)(F)F)cc1 799221314 UUHQBFSTSJYGCC-HXUWFJFHSA-N 487.503 5.371 30 20 JKED N#Cc1c(NC(=O)CCSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)sc2c1CCC2 828603377 ACMVINJHYRQYMA-SFHVURJKSA-N 478.643 5.272 30 20 JKED N#CCCn1cc(C(=O)COC(=O)COc2ccc3ccccc3c2Br)c2ccccc21 844160210 YVHNEYPXHTXHBG-UHFFFAOYSA-N 491.341 5.276 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)c1 913117755 GYYFUWXCEDVHIC-NRFANRHFSA-N 496.976 5.052 30 20 JKED Cc1c(NC(=S)NN=Cc2ccc(-c3cccc(Cl)c3)s2)c(=O)n(-c2ccccc2)n1C 914692881 ZKKKYMMPHIROSP-UHFFFAOYSA-N 482.034 5.187 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915293950 VBQXLXHSRPLPNG-FOIQADDNSA-N 453.311 5.650 30 20 JKED O=C(O)Cc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 915990240 KCBBITGDFKTNJF-WDZFZDKYSA-N 454.309 5.769 30 20 JKED COc1cc(/C=C\C(=O)c2ccncc2)ccc1OCCOc1cccc(Br)c1 916136046 FKLALPYSYDLFIV-ALCCZGGFSA-N 454.320 5.207 30 20 JKED COc1cc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc(OC)c1OC 916137959 YBGJVZUHQXLJKZ-KTKRTIGZSA-N 461.345 5.469 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C[C@@H]2CCCO2)cc1 916211519 DCIAUSYVPUCDPF-LPHOPBHVSA-N 492.428 5.441 30 20 JKED N#CCOc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c1 916409767 NXEFHLKGDSQNKK-UHFFFAOYSA-N 462.962 5.371 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)o1 916888146 SCPAOWXGLJOUHQ-SFHVURJKSA-N 467.453 5.006 30 20 JKED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1OC 916923346 KNTPPFCCBGVVBK-CSNYQSHPSA-N 495.000 5.167 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(OC(F)(F)F)cc2)cs1 917560543 QIBUKOOEOQUSLG-WDZFZDKYSA-N 466.868 6.276 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(SCc3ccccc3)cc2)c1 917691112 UXRTVWIYRCKWAA-SOYKGTTHSA-N 479.627 5.044 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C)s1 917695211 WUQZIOOQKZEOBN-OAQYLSRUSA-N 483.590 5.365 30 20 JKED N#Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)sc2c1-c1ccccc1CC2 917773813 CTMACNSBHZLQFP-UHFFFAOYSA-N 498.029 5.076 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cn1 918052856 WKRXODMAYNVEAD-UHFFFAOYSA-N 458.909 5.215 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccccc2Br)o1 920108570 HAXWAUWJWYWXMJ-IBGZPJMESA-N 494.389 5.509 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccccc2C)no1 920353321 HBYSDGRBUFYTEB-NRFANRHFSA-N 482.993 5.414 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c(OC)c1 920668883 ISCSBTLTWMMCQA-SFHVURJKSA-N 497.551 5.227 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 920981868 CIXFFGOQKJXPKL-HSZRJFAPSA-N 489.597 5.143 30 20 JKED CC(=O)Nc1cccc(Nc2nn(CN(Cc3ccc(C#N)cc3)CC(F)(F)F)c(=S)s2)c1 921188775 KPADJRZZCXSMIV-UHFFFAOYSA-N 492.552 5.270 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(-c2ccc(F)cc2)s1 924766932 NNQPEZBFJMQWOY-INIZCTEOSA-N 452.507 5.055 30 20 JKED CCSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1785780436 ZDMYPRLZZKEMEK-UHFFFAOYSA-N 488.588 5.195 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cn4ccc5c(F)cccc54)cc3)CCC2)c1 1786107847 OEGBMDWRABCDQO-UHFFFAOYSA-N 466.516 5.100 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1 1786330741 HNNJAJJYKWMPDR-SXOMAYOGSA-N 479.580 5.313 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C)sc34)CCC2)cc1 1786366014 FYOWOADTJPCBLC-UHFFFAOYSA-N 463.603 5.335 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3COc4ccccc4O3)CCC2)cc1 1789449156 OIKJRHYCSDGBDI-GOTSBHOMSA-N 460.574 5.119 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1789458214 QDHCVQRDYAWBDH-OHIRSEEMSA-N 493.648 5.288 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)CCC1 1789876056 NKGYVZAFJZGGIB-OAQYLSRUSA-N 457.496 5.617 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)CCC1 1790131685 ZDSNMXBMTDFFLU-QGZVFWFLSA-N 478.980 5.069 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5c(c4)CCCO5)CCC3)cc2)cc1 1790707892 VSIXMELPIOWOLU-UHFFFAOYSA-N 479.580 5.068 30 20 JKED CC(C)O[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785130 OBYLHSQFNGZQKM-INIZCTEOSA-N 473.495 5.138 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)c[nH]1 1790785138 OUOXWWBVGIGZTK-UHFFFAOYSA-N 466.463 5.275 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CNc4ccc(F)cc4)CCC3)cc2)c1 1792122597 NYLQWGHPHAYKPA-IBGZPJMESA-N 470.548 5.313 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccc(F)cc4)CCC3)cc2)c1 1792123221 NZURBTFUZDPBEN-HXUWFJFHSA-N 485.559 5.670 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CCc3c[nH]c4ncccc34)cc2)CCC1 1792292207 XCWCSNNCZSDPFI-ACCUITESSA-N 498.608 5.130 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792393393 CNQYGHNASCRMSP-JOCHJYFZSA-N 495.664 5.351 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1792572832 KKCRESVHNRNCDH-BKFWDETESA-N 469.629 5.851 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1-c1ccccc1)c1ccccc1 1799022845 GRWQKINBTIUYEC-XUJYPJAKSA-N 477.608 5.198 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1802391214 CNNUHVMNBZHRQW-SEGPTPNXSA-N 486.660 5.054 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1802494670 FUZZNVOWWVSCAF-VWNXMTODSA-N 488.657 5.517 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1802502406 CAJPXACXNXGTFN-NLFFAJNJSA-N 491.035 5.595 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803228194 NQSFZNYJEQSYLK-JFTIDPPCSA-N 468.041 5.393 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1803558498 RQKYVHKIKZDHGR-GIGWZHCTSA-N 499.611 5.176 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CC2)C1 1806062692 DRNADJJVGZXMSD-VWLOTQADSA-N 490.673 5.029 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1807467871 PSUVKLGUGKFKQW-BHBYDHKZSA-N 491.676 5.046 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1808876167 JIBZNAMGSPDFOK-LITSAYRRSA-N 486.660 5.198 30 20 JKED C=CC[C@H](CC(=O)N1CCC2(CCCN(C(=O)CCC3CCCC3)C2)CC1)NC(=O)OC(C)(C)C 1808954377 SDAXJJSMZXMLGT-HSZRJFAPSA-N 489.701 5.048 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808975339 KHCLSQLPBWWASG-SVEHJYQDSA-N 497.715 5.606 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1810171651 JLPXOPMCSMCFFK-JQVVWYNYSA-N 480.659 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1810173171 SXVKJLNBEGWQOA-XLNZFTOWSA-N 495.048 5.433 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1810173859 XJVNORGWSHDEOL-WOIUINJBSA-N 475.511 5.090 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cccc(Cc4ccc(F)cc4)c3)[C@H]2c2cccnc2)C1 1810469898 OVSKZBNCWKSIDR-LBNVMWSVSA-N 483.587 5.097 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810601631 HVVVVXGUVUYVCM-BKMJKUGQSA-N 482.024 5.035 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811402031 BYZFNBHOWYYFPD-NVQXNPDNSA-N 499.577 6.044 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)s1 1811748964 HOCCQXPDTSPPSN-ZPLGLSCPSA-N 491.016 5.010 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812590774 OJEQKMPNFUHBHC-GERBCZOESA-N 474.432 5.239 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1812671462 BZXDAXGPGUVUNL-OXJNMPFZSA-N 482.358 5.228 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1)c1ccccc1 1813565939 UCWRIGMUCGGDAJ-ISLKCMPMSA-N 483.656 5.255 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c1 1813836687 FHIJFSUIYZUCTD-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1813970996 ITSSPEQJNQUUTC-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)[nH]n2)C1 1814396433 CAYCUYFOPKPWLC-FQEVSTJZSA-N 459.575 5.149 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1815096555 UNBHQJNSEWQJQP-AXHZCLLHSA-N 487.629 5.523 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1815245907 WJFNRALNIDITJG-WMZHIEFXSA-N 493.658 5.433 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)cc12 1818115882 OONMCTFWSADLRY-RQWLHQTBSA-N 487.585 5.006 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3s2)n[nH]1 1819075630 PQKSOZMAJKSLLD-SFHVURJKSA-N 499.434 5.496 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1)c1ccccc1 1819517301 WBJWYGRKXJDFLV-JTHBVZDNSA-N 482.575 5.425 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)c(C(=O)O)c(C)c2)[nH]n1 1819555872 GLPIOKZOKCUDLY-HXUWFJFHSA-N 466.582 5.023 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2cc(OC)ccc2OC)n[nH]1 1820930181 UYUDMXWRUUVKNH-DEOSSOPVSA-N 494.636 5.210 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(Cl)ccc(Cl)c3O)n[nH]2)c1 1821266320 JAXXZCIZIUVRAL-LJQANCHMSA-N 498.370 5.222 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821694234 PJHRBEAKXALWTL-LJQANCHMSA-N 455.628 5.098 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1821919396 UOYPAKNQZWEOGS-SUMWQHHRSA-N 457.987 5.191 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)cc(C(F)(F)F)c1 1822022058 KEOOLODQSIFXMF-OBUYZQBDSA-N 499.537 5.432 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1)c1ccc(F)cc1 1822288893 WDJNUAUJPUOBDS-NOZRDPDXSA-N 473.552 5.166 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823291205 XTFVZNWDSAKODT-NRFANRHFSA-N 477.590 5.058 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccn3c(C)cc(C)nc23)CC1 1823753013 BNPWDCPUPULWER-XMMPIXPASA-N 464.654 5.177 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1Cl 1823907137 VIQQFOLOMOSTEI-DGSRBQDKSA-N 485.049 5.382 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3Br)CC2)c1 1823929639 BYSAPSNBJUPBTN-HSZRJFAPSA-N 498.396 5.007 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Sc2cccs2)CC1 1824142359 PNIBRTUJSJRKJJ-UGKGYDQZSA-N 460.709 5.617 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cscc2C)CC1)c1ccc(O)cc1 1827809231 NPBVYFNDVUNCDD-BVAGGSTKSA-N 478.658 5.193 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2c1 1828124071 VZEYZVUMBLIXME-PIKZIKFNSA-N 482.628 5.651 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828159479 LSQGKTBTQCAFPI-HXUWFJFHSA-N 475.029 5.294 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)nc2ccccc12 1828215878 OCVKMRBHWGQTMQ-MUUNZHRXSA-N 480.612 5.156 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4nc(C)ccc4c3)CC2)c1 1828235349 PRQNBEJFUUCUJR-NDEPHWFRSA-N 480.612 5.270 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1828461366 ZFXXFMMOLCNJRA-PNJWGLBASA-N 450.614 5.424 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)cc2n1 1828905356 OTWUOGATOVZCCQ-XMMPIXPASA-N 493.724 5.421 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C(F)(F)F)CC1 1829066028 LXBOCFGKFPCFRE-KRWDZBQOSA-N 471.589 5.388 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(OC)c(C)c2)CC1 1829068365 RZEAVVSCIBDLHK-XMMPIXPASA-N 454.655 5.158 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 1829068518 AUXIZXSQSXLRHF-HSZRJFAPSA-N 470.654 5.238 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829783970 IQMGCDYOFQBEHG-UKILVPOCSA-N 483.653 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c1 1830028547 GSGHTULQIDWVNW-UQBPGWFLSA-N 464.009 5.514 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1830420403 ARMICRKITMZNGX-NEKDWFFYSA-N 491.676 5.501 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1 1830606548 PFNUOCPKRUZKGY-IZZNHLLZSA-N 481.706 5.282 30 20 JKED COc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc(F)c1F 1830661405 RZVNPIHPKGYWDF-UUOWRZLLSA-N 495.570 5.148 30 20 JKED CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CCCC1 1830687913 YHZYKPSOJQIBIV-QFIPXVFZSA-N 486.454 5.134 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830784273 HOTJOBZQFAMDCP-VXKWHMMOSA-N 481.464 5.108 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1)C(F)(F)F 1830878608 MTSNNERUGNGNOK-OAQYLSRUSA-N 479.930 5.240 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)nc3ccc(F)cn23)CC1 1830892678 SPBGLOYPEAGGDD-QFIPXVFZSA-N 468.617 5.008 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830979295 GQLVHTAQMZXQCH-CPJSRVTESA-N 473.617 5.873 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1)C(F)(F)F 1831453235 XQTVGUIRCUMKSP-HSZRJFAPSA-N 487.566 5.258 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832170129 DYRABMJEXOBIJY-STWLZBDKSA-N 490.673 5.123 30 20 JKED COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1C 1832633149 CWFVATYXZSATBJ-QFQXNSOFSA-N 473.617 5.178 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1833076393 BVHWFRUQAKOLQK-LOSJGSFVSA-N 486.100 5.008 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)CC1 1833079163 RQRYIKJPWRZAFC-UHFFFAOYSA-N 497.577 5.022 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 1838390823 MNMIDOUZQPFGLE-UHFFFAOYSA-N 489.132 5.003 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](F)c4cccc(F)c4)c2)C3)c1 1841260137 FKEKDOSMZMDORE-MUUNZHRXSA-N 499.561 5.206 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1845374368 OPLJWLDQJMHNOD-UHFFFAOYSA-N 485.022 5.227 30 20 JKED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1Oc1cccc2ccccc12 1847811364 QHDKWKOHKUVCMZ-YNJKOYDBSA-N 470.569 5.039 30 20 JKED COc1cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2F)cc(OC)c1OC 8622085 DLKBDJPEKDQETL-UHFFFAOYSA-N 476.533 5.263 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(CO)c1)c1ccc(F)c(F)c1 10179158 MLQZCRBWFLDWFO-UHFFFAOYSA-O 468.332 5.102 30 20 JKED C[C@@H](OC(=O)c1ccccc1OCc1cccc(Br)c1)C(=O)Nc1ccccc1C#N 10825008 VQCDEGIRMVAVFG-MRXNPFEDSA-N 479.330 5.084 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccc(F)cc1 10925821 TVEDSUOLTBQEGX-UHFFFAOYSA-N 478.597 5.406 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2C(F)(F)F)cc1 11157104 XUZILDLXICBVPI-UHFFFAOYSA-O 465.467 5.884 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 12476784 XRLHGKPOAJHBFD-UHFFFAOYSA-N 479.968 5.035 30 20 JKED Cc1cc(C)cc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccc(Br)cc2)c1 15235442 ZMPFVQNZNNSQRL-KRWDZBQOSA-N 466.408 5.849 30 20 JKED Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 17205426 WQAQFWBKDBCTRB-UHFFFAOYSA-N 465.600 5.045 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nnc1-c1ccccc1OC 21334405 VMDXLEQHQXLCAF-QGZVFWFLSA-N 464.591 5.098 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Cl)cc1Cl)[n+]1ccc2c(c1)CCCC2)c1cc(F)ccc1F 22731073 IZKLGYARYSAAAR-UHFFFAOYSA-O 492.398 6.489 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)nnc1-c1ccc(Br)cc1 25190116 GVPQLTCJKYVVTD-IRXDYDNUSA-N 485.451 5.294 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 26133703 NYVLTBKVRCQTIT-SFHVURJKSA-N 479.989 5.084 30 20 JKED C=CCn1c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nnc1-c1ccc(Cl)cc1Cl 29890744 CBQKHTWIEDVJGZ-UHFFFAOYSA-N 490.372 5.028 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCCc3ncc(-c4ccccc4)o3)s2)cc1 31682451 RWKJHVJRURHCMP-UHFFFAOYSA-N 461.572 5.318 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2)c1 31776683 PGUCPEDTJWCZKU-UHFFFAOYSA-N 480.490 5.406 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 97542551 SMOIGDBJVKRBAM-UHFFFAOYSA-N 475.573 6.721 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 106116036 PPALXWDAZMDXSF-UHFFFAOYSA-N 494.498 6.378 30 20 JKED CC(C)c1ccc(-c2noc(CCC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)n2)cc1 108733109 LYIWKXHRCZIQJT-UHFFFAOYSA-N 456.468 5.255 30 20 JKED O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 138462925 YJSZTZJCFPFABT-UHFFFAOYSA-N 481.318 5.859 30 20 JKED COc1ccc(CCn2c(SCCCCC#N)nc3sc4c(c3c2=O)CCCC4)cc1OC 195563252 QHSJHLACAAVBJD-UHFFFAOYSA-N 483.659 5.383 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)s2)cc1 303202197 ZRPRVQFXAVJQBU-UHFFFAOYSA-N 460.506 5.391 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(-c2ccccc2)cs1 410387952 IBXKEDACOJQGJT-LJQANCHMSA-N 496.592 5.271 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1SC 481746903 VPLZSRPJZNZLFE-UHFFFAOYSA-N 465.550 5.671 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 484738869 RCXUORXQTXUUOZ-UHFFFAOYSA-N 482.367 5.236 30 20 JKED C=CCN(C(=O)c1cc(Cl)ccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491028060 NGSDOXCIMBUKBW-UHFFFAOYSA-N 467.399 5.353 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1Cl 495125783 CNUJBZGMRYKQNA-NTKDMRAZSA-N 479.049 6.091 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1nnc(C)n1Cc1ccccc1 500749506 XYZCFEGOUMFPPS-UHFFFAOYSA-N 469.570 5.338 30 20 JKED COc1ccc(F)cc1[C@@H](C)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 501624463 CREZBRFROCIORY-LLVKDONJSA-N 475.364 5.549 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc(-c2ccccc2)cs1 503101215 UHAWWKZTNJIOPP-UHFFFAOYSA-N 474.607 5.617 30 20 JKED C=CCN(C(=O)c1cnc(-c2ncccn2)s1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 503227961 XWEAQNBPXFYWQX-UHFFFAOYSA-N 481.606 6.223 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc(C(=O)OCC)cs1 508597917 JOXIXDAWJMURTF-UHFFFAOYSA-N 481.521 5.224 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 508989862 BJHWVLOEFHGEQJ-MRXNPFEDSA-N 481.339 5.352 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(OCc4ccccc4)CC3)c2)cc1 509905943 UAPLIKDCNUKYET-UHFFFAOYSA-N 455.558 5.545 30 20 JKED CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCC(=O)NCc4cccc(C#N)c4)o3)cc2C1 510014583 YQHSMMYKJXNBHA-SFHVURJKSA-N 466.632 5.229 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 510247156 ZDWNRMRGYHOKHI-UHFFFAOYSA-N 467.865 5.572 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(C(F)(F)F)c1 511130942 MFVSCOWWIQDKFA-UHFFFAOYSA-N 469.460 5.036 30 20 JKED CN(C)[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1Cl 511322714 SDAMOEIOUZGJKW-RUZDIDTESA-N 462.981 5.409 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(OCC(F)(F)F)c2)cc1 513867335 FOCHYLCGEIWDLJ-UHFFFAOYSA-N 457.427 5.873 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2N2CCOCC2)cc1Cl 513984059 XXBDPFVYMKCHCV-QHCPKHFHSA-N 460.965 5.154 30 20 JKED Cc1nc(SCC(=O)Nc2ccccc2SCC#N)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 514343666 NHVKIQJYGBHZGX-FYQPLNBISA-N 454.665 5.844 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1Cl 517296223 GNMUNRQAQBKPJK-ISKFKSNPSA-N 461.924 5.437 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 517530415 OSTCMRWAEZDASA-IBGZPJMESA-N 469.545 5.099 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1C 519029244 BHRVZMWSIPDWCU-UHFFFAOYSA-N 483.616 5.529 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 520193402 ODMGOIVMOALVJQ-UHFFFAOYSA-N 457.405 5.227 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 523802432 OHDJTAAMDOKJPA-UHFFFAOYSA-N 471.580 5.385 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(OCc2cccnc2)cc1 524381871 YMAFLUQGGABGLU-LJQANCHMSA-N 453.498 5.195 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)cc2Cl)c1 524389994 KYGNKVDOGRKDJZ-UHFFFAOYSA-N 494.935 5.711 30 20 JKED Cc1ccccc1-n1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccncc1 589939044 MTYUEJBHMAYDCJ-UHFFFAOYSA-N 486.626 5.181 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1 590377764 QLLHORCVOAZNEP-OAHLLOKOSA-N 450.354 5.459 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590614021 OILNRBFUGBQFPN-UHFFFAOYSA-N 460.515 5.525 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 594668774 FNECMYWRZBCHMP-UHFFFAOYSA-N 454.939 5.753 30 20 JKED C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1=O 603672807 SLSRHPXFSZZNMG-DNVCBOLYSA-N 498.530 5.173 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603763935 COKSANFJXPYROF-UHFFFAOYSA-N 492.461 5.143 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1Cl 603766195 NBCANXUBHKZZJN-DFBJGRDBSA-N 459.958 5.563 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1cc(Cl)ccc1OC 603895687 CIIATFHFUDRWFS-UHFFFAOYSA-N 490.416 5.104 30 20 JKED Cc1c(NC(=O)c2cccc(CC#N)c2)cccc1NC(=O)c1ccccc1I 604008631 XKVSCSYTHWZVEP-UHFFFAOYSA-N 495.320 5.170 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 608995342 KTFHZCGLMYJUEJ-VWLOTQADSA-N 479.939 5.730 30 20 JKED CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C(C)C)cc1 609061556 DVWVKCIROFKGPN-HHHXNRCGSA-N 485.584 5.238 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609072636 BBBMSFLHYGFKNP-UHFFFAOYSA-N 456.933 5.846 30 20 JKED Cc1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c(C)n1Cc1ccccn1 609173106 LMNNCCZNSCHLAE-HHHXNRCGSA-N 450.542 5.122 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1 609207247 LUHNIJCGVPVSBD-UHFFFAOYSA-N 492.583 5.528 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 609378337 CUMPWFGGNUAZEB-MRXNPFEDSA-N 495.954 5.855 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(F)cc1 609402432 ZFEPPGICUAUPHI-SFHVURJKSA-N 465.472 5.152 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 609438960 PJJKZBDFFXZLAY-KRWDZBQOSA-N 452.555 5.971 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1-c1ccccc1 613346773 QLXPYTPIIZUFEP-KRWDZBQOSA-N 453.354 6.101 30 20 JKED N#C[C@H](C(=O)c1nc(N2CCCC2)ncc1Cl)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 613394377 ZTFZOUKPCPXNEP-HHUAMSDTSA-N 468.026 5.145 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCc2cc(F)c(F)cc21 613835758 SECMFULYLGIKST-UHFFFAOYSA-N 461.312 5.391 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 616282486 AQWVCAOUEXVEKQ-CQSZACIVSA-N 466.378 5.155 30 20 JKED O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 617936692 DMNCCCJDLOTVKF-URLYPYJESA-N 471.348 5.867 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 624855110 UUIGNEHSRQIXPC-IIDMSEBBSA-N 490.410 5.467 30 20 JKED C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nnc1-c1ccccc1OC 684998699 QUBWSLVFAREMLL-UHFFFAOYSA-N 473.480 5.100 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)C[C@@H](C)O1 726077825 ZHNYCSDDAUYDNE-NHCUHLMSSA-N 472.564 5.545 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\CCc3ccccn3)N(Cc3ccc(Cl)s3)C2=O)cc1 726109155 NQWFHFOYPYCSQL-VUFATCQFSA-N 499.061 5.176 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)n2C)cc1Cl 726322574 XSUXOHFKRUOWLJ-INIZCTEOSA-N 486.753 5.078 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)S/C2=N/[C@@H](C)c2cccs2)cc1 726414240 AHRDTSPURWBTRD-VAPRLZSCSA-N 493.654 5.024 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCC(C)C)C2=O)c1 726421561 RADNBAVVJSXBQN-KAVHPSCTSA-N 489.663 5.201 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)cc1OC 726427621 QZZNPWQNRZIMDA-WQRHYEAKSA-N 493.943 5.293 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2ccccc2F)c1 726504514 JBSQEUWPZKDCSP-UHFFFAOYSA-N 488.968 5.146 30 20 JKED Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Br)c1 728299613 TWPWFDUKSUJCBE-INIZCTEOSA-N 482.353 5.786 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 728686545 RHYMGWBMSPTJMF-GOSISDBHSA-N 495.645 5.335 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H]2CCc3c(C)cccc32)C1=O 729630841 DVAJGZVKAVMVTB-OALUTQOASA-N 475.586 5.065 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H]2CCc3c(Cl)cccc32)cc1 730717134 FRLMWTBPXVMLII-RTWAWAEBSA-N 492.004 5.086 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)n(Cc2ccco2)c1C 730878625 SJSMNSAEXNUFFQ-DNQXCXABSA-N 467.525 5.057 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730942449 PRECPKPZHJJESK-CPJSRVTESA-N 486.641 5.604 30 20 JKED CC(=NOCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nc2ccccc2n1C(F)F 731029995 MGPFAKKIJSQBCQ-AWEZNQCLSA-N 457.506 5.205 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 731288526 TYRPKHKHUGVQOC-NVXWUHKLSA-N 457.477 5.044 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)cc1 731306751 XVGJGNUPRQWBCJ-HSZRJFAPSA-N 481.618 5.010 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c(C)c1 731306917 FHLHQNRWNIOZIJ-OAQYLSRUSA-N 465.600 5.231 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccc2C(F)(F)F)C1=O)NC1CC1 745583131 CFOWVNGHKKQTQH-GOSISDBHSA-N 481.927 5.159 30 20 JKED CCOc1cc(C=NNCc2cccc3cccnc23)cc(Br)c1OC(F)F 750937981 VFFMSCXUIANJOA-UHFFFAOYSA-N 450.283 5.121 30 20 JKED COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 751268733 DRLHEOBOONMYCS-FQEVSTJZSA-N 463.946 5.353 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(OC(F)F)cc1 799219425 RYZPQCIWRXFMHT-SFHVURJKSA-N 497.951 5.239 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](C)c2cccnc2)C1=O 837544638 PDLVGPHDVIASTC-NTKDMRAZSA-N 488.613 5.592 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)n1 856967024 KOZLMICSTWJGLY-AWEZNQCLSA-N 471.529 6.591 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)NC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 913099630 RICLIVWWSMGQGU-HXUWFJFHSA-N 498.391 5.472 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 914546949 UAALGDGZDOCBTB-YKSBVNFPSA-N 472.614 5.098 30 20 JKED COc1ccc(C(=O)NCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 915102379 RKWSWLMFRMFKGG-GOSISDBHSA-N 488.396 5.512 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCCC1 915784526 RNWRHTGZAWTEKJ-XMMPIXPASA-N 454.530 5.122 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccn2)c1 916206107 MDCCCEYIZKPPBA-VWLOTQADSA-N 496.592 5.404 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC2)C1=O 916211855 RICYVCZFLQHXPQ-SFHVURJKSA-N 464.374 5.125 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 916212414 MVKGBSBKNCKODL-SFHVURJKSA-N 480.417 5.299 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNc2nc(C)nc3sc4c(c23)CCCC4)cs1 916311752 IPGIPIBVALSUMO-UHFFFAOYSA-N 462.604 5.466 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cc2c(cc1Br)OCCO2 916708265 QMIOLWVAQQJFQS-KKSFZXQISA-N 492.373 5.758 30 20 JKED Cc1cc(CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1ccc(Cl)cc1 916846784 FEQWGRUMFJRNTO-FQEVSTJZSA-N 491.016 5.756 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CSc1nc(C)nc2sc(C)c(C)c12 916902105 DISRVGHBSDQJNH-CQSZACIVSA-N 489.022 5.027 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916907923 CUNLWDUNIYEOKY-MRXNPFEDSA-N 465.296 5.400 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 916928121 HORIBODMLWKXON-CQSZACIVSA-N 484.368 5.273 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc(Cl)c1OCCC(C)C 916936989 ZIFOQVJULWRZID-HNNXBMFYSA-N 467.324 5.527 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)cc1 916974198 GNDCJTBHVPDJRW-APWZRJJASA-N 480.387 5.110 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916977620 VHPSEPYCCPAWRF-PXNSSMCTSA-N 464.978 5.584 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995376 FHZUKRBLPALUTR-KNQAVFIVSA-N 484.408 5.829 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2[N+](=O)[O-])c1 917669619 UEYHBJZUQPLBIF-QFIPXVFZSA-N 492.532 5.203 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)(C)C)CC2)cc1 917682474 IUBZXOQGPVILLI-QHCPKHFHSA-N 478.662 5.218 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(C)c3)C2=O)c1 917707072 KIYWWWFXDSRELZ-XMMPIXPASA-N 484.581 5.036 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 917713624 LVYVQMREBZMXTJ-UHFFFAOYSA-N 486.018 5.367 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccco2)C1=O 917714232 QNADHBRFNWVSDT-QHCPKHFHSA-N 477.586 5.572 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2ccc3c(c2)CCC3)C(=S)N[C@@H]1c1cccc(C#N)c1 918106834 QOXXDEISDPHPFK-HHHXNRCGSA-N 494.620 5.404 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)CSCc2ccc(C#N)cc2)cs1 919208207 XMZVMEYIDXDVPO-UHFFFAOYSA-N 465.600 5.293 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCOCC2)cc1 919904829 UQWADGNBULQJKX-AREMUKBSSA-N 455.558 5.221 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)[C@@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)nc(O)c23)C1 920140765 JLWZGWMWUHKTFU-RDTXWAMCSA-N 499.621 5.326 30 20 JKED COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)sc2cccc(F)c12 920141642 GLBPEBSARSHFCI-HNNXBMFYSA-N 452.532 5.809 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 920176629 UOXBSMQUYOARAN-MZNJEOGPSA-N 488.588 5.431 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CCCO[C@@H]2c2ccccc2)C1=O)NC1CC1 920354759 HTWYLLMTJKXIQX-RVSNTGDXSA-N 498.048 5.108 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccncc2)ccc1Cl 920454392 LVXQGDUTUCJMKS-KRWDZBQOSA-N 487.984 5.089 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1C 920892196 JNRIARIFERUGTJ-MOPGFXCFSA-N 478.980 5.157 30 20 JKED N#Cc1ccc(CN(Cn2nc(C3CC3)n(Cc3ccccc3)c2=S)CC(F)(F)F)cc1 921189019 ZAUVBIFUSKJAKW-UHFFFAOYSA-N 457.525 5.233 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)COCC(F)(F)F 921252279 GJTQJJYBTGVXIC-HNAYVOBHSA-N 497.514 5.062 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCCCCCC(=O)OC(C)(C)C)CCC3)cc2)C1 1785808072 LBEXJZNJOJTAIN-UHFFFAOYSA-N 468.638 5.769 30 20 JKED Cc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)n1 1785824166 QJRKLZDUSQEXLP-BMRADRMJSA-N 464.569 5.042 30 20 JKED COc1ccc2c(CC(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)c[nH]c2c1 1786170590 AQAODYXCRYVINC-UHFFFAOYSA-N 492.579 5.233 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)CCC2)cc1 1786393382 CVSYIPDIRULJNT-HXUWFJFHSA-N 490.551 5.055 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1 1786592680 LTPNVEOYXSUQAE-UHFFFAOYSA-N 454.558 5.408 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c(F)ccnc4Cl)cc3)CCC2)c1 1786993679 SBJBYKBKRUDEIX-INIZCTEOSA-N 476.939 5.563 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)C(F)F)CCC3)cc2)c(C(F)(F)F)o1 1787397698 WOPFNUHJLRXUGF-UHFFFAOYSA-N 466.353 5.255 30 20 JKED CCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccc(C#N)cc3)CCC2)cc1 1787664686 HWBNXRJEJARMAY-QHCPKHFHSA-N 490.604 5.058 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951694 RLAFCQGZUVBSRJ-QTYVQNMISA-N 473.617 5.090 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)Cc4noc5ccccc45)cc3)CCC2)cc1 1788168959 INPCXRPFHBHTCI-UHFFFAOYSA-N 478.552 5.009 30 20 JKED C=C(Oc1ccccc1O)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1788642379 FCWFFGJJPCLWAR-IBGZPJMESA-N 481.552 5.360 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)ccc1F 1788788371 XOTVSLYIASOMLL-UHFFFAOYSA-N 496.464 5.102 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ccccc45)CCC3)cc2)c1 1790072773 NELCERYXMVAOPO-UHFFFAOYSA-N 492.579 5.429 30 20 JKED Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)n1 1790081696 DEDSOMYNBAVEDK-UHFFFAOYSA-N 472.976 5.296 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1790568142 NNQOWTPXGNDADN-ZQMYSKGWSA-N 467.997 5.379 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)CCC2)cc1)C(F)(F)F 1791305629 XCQWIYGZBPPTQW-UHFFFAOYSA-N 496.411 5.448 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCc3cc(F)ccc3Br)CCC2)cc1 1792262656 NHERYJMKRZTJKD-UHFFFAOYSA-N 471.370 5.068 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1)c1ccc(-c2ccccc2)c(F)c1 1796895803 SEAVOTBMLCPIFM-BMIFERRUSA-N 488.584 5.245 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC2CCC(C)(C)CC2)cc1C#N 1800233570 FEFJXAKHFMCMJQ-BKFWDETESA-N 465.638 5.204 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Cl)ccc1Br 1801589388 MAWAKBCHJHDTAM-ACDBMABISA-N 479.846 5.052 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1803082618 XBXMJAUTZJDOHK-NFBKMPQASA-N 487.522 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1803420800 OMOZVMUKNJZCPC-FJIJXJHWSA-N 465.663 5.261 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCCc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1803493149 RSEATGYCXCFGHI-JTJYXVOQSA-N 487.566 5.341 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c(Cl)cncc3Cl)C2)CC1 1804733818 FBWWYYQYBMMLMD-QGZVFWFLSA-N 450.410 5.002 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1805061197 OTWBFCJKCDSTER-KCWPFWIISA-N 486.591 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(C)snc4s3)CC2)C1 1805454910 LQKQIOQVHOBRBW-UHFFFAOYSA-N 457.665 5.279 30 20 JKED COc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)C2)c(Cl)c1 1806744518 BQESGPQGVBXCIH-HXUWFJFHSA-N 494.035 5.063 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)C2)CC1 1807750593 MRRAUKXVPRXSMH-GOSISDBHSA-N 488.554 5.153 30 20 JKED C=CCOCCCC(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)C2)CC1 1809154112 OENHOCSTKIBMSX-OZXSUGGESA-N 454.655 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1810172018 HQEOSXNSNFIPLL-SFHLNBCPSA-N 475.511 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810534848 FZXNOBDKGGVMGH-BFLUCZKCSA-N 477.674 5.265 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1811107826 GNTNLOZJNDFVCV-PXNSSMCTSA-N 478.445 5.538 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(F)F)cc2F)[C@@H]1c1cccnc1 1811390094 NDIINMLNDBOBID-AVRDEDQJSA-N 489.538 5.134 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1811427884 RDLCVEFATWTVIQ-AYWVHJORSA-N 492.623 5.333 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c1 1813868353 LYGZOBBAKOHIGG-CZKBBTNMSA-N 470.617 5.165 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(OC)cc2)[nH]n1 1814440383 SEHSEXYKFMIYIN-XMSQKQJNSA-N 452.599 5.207 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)sc2c1 1816627308 VJIUPDMFMREFGX-QFIPXVFZSA-N 498.612 5.138 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3C(C)(C)C)n[nH]2)c1 1817711565 RMHNSSGGVLQVMV-MBSDFSHPSA-N 484.604 5.349 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3ccc(Br)cc23)n[nH]1 1818664473 VATMJEJDJGWFDQ-JLTOFOAXSA-N 484.398 5.172 30 20 JKED C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1818959843 FHEIZDVZIXMFJO-DJKXOVBDSA-N 473.499 5.042 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)cc12 1819055200 BZWOVNUJOKAUQB-HSZRJFAPSA-N 486.963 5.344 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1819385317 MXAQGSWTLJZYBN-SFHVURJKSA-N 494.590 5.379 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)Cc2ccco2)[nH]n1)c1ccccc1 1819521478 UOVGDBVDNYVJMJ-PBXXJUDPSA-N 472.589 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)[nH]n1 1819554586 JQCUNCWCRVKMMB-OUFMZXHOSA-N 464.635 5.282 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ncccc34)[nH]n2)c1Cl 1820219135 KLQPTQWENFMEGP-QFIPXVFZSA-N 484.947 5.103 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820231213 DJQTZIYCGIZBST-KRWDZBQOSA-N 462.884 5.327 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)c(F)c1 1821025288 IXOLQYLKRRQVAI-QHCPKHFHSA-N 489.551 5.136 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(-c4cnco4)c3)n[nH]2)c1 1821187117 FTVYYDDDQWVELQ-KOSHJBKYSA-N 494.555 5.311 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821987885 CGSKTDKRGIANSP-QGZVFWFLSA-N 488.432 5.014 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[nH]n1 1822581202 GHCXWFHAQCDZNI-VWLOTQADSA-N 494.599 5.453 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccc(Br)cc2)CC1 1823608297 CRHLCSTWSWDYOI-WMZHIEFXSA-N 491.470 5.050 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)CC1 1823986192 QSJAEJPQPKJUDU-YKSBVNFPSA-N 461.021 5.410 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 1824142998 DMYNJTWHMDIEBV-QFIPXVFZSA-N 467.635 5.405 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824226077 LXERZDUZSMSMAL-DOTOQJQBSA-N 474.586 5.322 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1)c1ccccc1 1824241615 OJQDQFYFTMAOKY-SXOMAYOGSA-N 457.618 5.231 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)c2c1 1825095092 JLFWAQSHBUKAGR-GDLZYMKVSA-N 496.655 5.143 30 20 JKED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)CC2 1825127283 ZUMOSJJTNGYAOA-CJNGLKHVSA-N 469.010 5.091 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1825951494 RZNFNFIVSSHGLR-RUZDIDTESA-N 475.633 5.499 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C#Cc3ccccc3)CC2)oc2ccccc12 1826525354 XUXDHUWGJAYSIG-RUZDIDTESA-N 454.570 5.026 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)CC1 1827342675 RABUCPUHIMNDOU-UPVQGACJSA-N 462.638 5.058 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827777905 NYGCYNDDAOZBFC-NRFANRHFSA-N 496.646 5.583 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)ccc1F 1828356108 BKILFOHGGCVRBC-GLNMAXCKSA-N 499.586 5.319 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1828821698 PYLHOVXXKRGVSX-LMHXZZLNSA-N 452.561 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828829258 ZQISYDICIJRBSA-BWKNWUBXSA-N 468.041 5.823 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccccc2)CC1 1828904075 MTBDKLDLDXTUNH-SANMLTNESA-N 482.741 5.126 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1829005268 YODNYFWMBPJNOF-DYCVSJHOSA-N 473.617 5.116 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)F)no2)CC1)c1ccccc1 1829032863 OCMHOICWAYWQRV-GGAORHGYSA-N 483.559 5.043 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(F)(F)c2ccco2)CC1)c1ccccc1 1829035042 JPJOWEHZPBKLHX-RPWUZVMVSA-N 482.571 5.188 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829607433 BJVJTFMNISIDMY-QHCPKHFHSA-N 489.664 5.232 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)c1 1829678931 AUDKJXJXFSLOAP-LJAQVGFWSA-N 495.623 5.196 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c1Cl 1829689488 GUTLEECOXNRGPC-JOCHJYFZSA-N 471.935 5.037 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)c1 1829959415 SFRPEHDGXSINGV-QFIPXVFZSA-N 487.497 5.263 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c(C)c1 1830119409 SJNJPMPIZPLQRQ-XMMPIXPASA-N 480.008 5.076 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c(Cl)c1 1830572251 AFBPGAQVOXUIFJ-QFIPXVFZSA-N 488.390 5.551 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)cc1 1830631932 SLVZHJSQVHQQMY-OAQYLSRUSA-N 485.415 5.002 30 20 JKED Cc1snc2sc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)cc12 1830715572 FXFGZTJVVKNSKZ-NRFANRHFSA-N 496.633 5.224 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830717024 OOYXKWRQQXXCQT-XMMPIXPASA-N 497.998 5.297 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1831375076 YRAXQMKIBMXCMU-MZYLBHOOSA-N 491.717 5.148 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1831375121 MYROHHWKSKWJDW-NBGIEHNGSA-N 463.597 5.333 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1831446795 HTFCGOTWIYIBFF-HXUWFJFHSA-N 468.972 5.183 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c(Cl)c1 1832023176 WAGSGZCXGJWWAJ-BFLUCZKCSA-N 476.020 5.249 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1)c1ccc(O)cc1 1832200495 REFCJNFXKLMJJA-BTTKJASGSA-N 499.655 5.007 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)c1Cl 1832603601 SJSIIPYQJVIHRF-DEOSSOPVSA-N 481.999 5.135 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1832633135 CMPWPXRFJLZUIE-PPHZAIPVSA-N 486.591 5.481 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1 1832633425 HRMQXCPZJNJAIM-SZHXJAFASA-N 469.629 5.351 30 20 JKED Cc1scc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1832635306 ZKXZRWNBWAWXDI-AVRWGWEMSA-N 463.647 5.539 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(N3CCC(NC(=O)CC4CCC(C)(C)CC4)CC3)CC2)c1 1836421360 PFPUAEXRWIXBLU-JOCHJYFZSA-N 492.708 5.105 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)C3)c1 1845523122 DNHMNXJFPUJQAM-UHFFFAOYSA-N 486.399 5.092 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)cc1 1847215614 XWOCTIYAFJKWBW-YCVJPRETSA-N 499.561 5.204 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(-c2ccccc2)cn2ccccc12 1847264938 ZCAXUQSTVGQRNH-ZEQRLZLVSA-N 455.602 5.414 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172787 LJAOYIBYOYFANZ-UHFFFAOYSA-O 483.604 6.486 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc3c(c2)CCCC3)cc1 15247760 QMWRCJNMVYTREW-UHFFFAOYSA-O 494.478 6.229 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2cccc(CC)c2)cc1 22732248 KDIOCABLJSRTIP-UHFFFAOYSA-O 468.440 5.912 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1[C@@H]1COc2ccccc2O1 23632742 VUYBUTDNPIQQIY-FQEVSTJZSA-N 466.563 5.532 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nnc1-c1cccc(C)c1 24293548 QKNMWXFEGUTBIC-HXUWFJFHSA-N 489.626 5.564 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nnc1-c1ccc(F)cc1 24670672 CCRHVBIRRYLDSH-UHFFFAOYSA-N 493.633 6.320 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc21 483443066 VUTZWTGONBNUHE-UHFFFAOYSA-N 467.569 5.802 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)nc(O)c2c1C 487383399 CRCKCZQIAALHSD-CQSZACIVSA-N 495.655 5.193 30 20 JKED Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487450512 PUZPYEMUMXFZLI-UHFFFAOYSA-N 475.540 5.275 30 20 JKED N#CCCN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 490358546 AAJPBVKYSZBSRR-UHFFFAOYSA-N 499.592 5.231 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)c2C#N)C1 500367765 CGQWYEBGGDZFEP-CQSZACIVSA-N 470.595 5.691 30 20 JKED COc1ccc(-n2c(SCC(=O)N(CCC#N)c3cccc(C)c3C)nc3ccccc3c2=O)cc1 501577069 HPEDVIZSSBZOTN-UHFFFAOYSA-N 498.608 5.050 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 505880329 SFQAZFVLVGWNBN-UHFFFAOYSA-N 477.402 5.281 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(OC)ccc1Br 506488292 QTWWWPOFOITXQA-UHFFFAOYSA-N 472.152 5.579 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)n2)cc1 506843085 MCCRPEFJVRQQGU-HXUWFJFHSA-N 457.559 5.321 30 20 JKED C=CCn1c(SC[C@H](O)COCc2cccs2)nc2scc(-c3cccs3)c2c1=O 508508559 YSRZOODJJKACSN-CQSZACIVSA-N 476.670 5.104 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 508875311 UYHREUMXTFKQNV-UHFFFAOYSA-N 461.521 5.950 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CC2 509724997 RFAFZBUOSGUOKS-ACRNLXFHSA-N 485.584 5.369 30 20 JKED COCCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 510665759 MALHTZQFMWLIMY-SFHVURJKSA-N 461.518 5.267 30 20 JKED CC(C)(NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Br)cc1 511364056 OIVCZLYFSNJTOU-UHFFFAOYSA-N 478.390 6.151 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 512857749 SRVQYDQQWCYOTQ-FIPFOOKPSA-N 499.567 5.097 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 514892007 DOMNUJNSPJYRJK-UHFFFAOYSA-N 461.497 5.205 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 515547402 VPPQYRLHHMUWGI-IBGZPJMESA-N 459.983 6.604 30 20 JKED C=CCN(C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C)c1nc2c(s1)CCCC2 515609025 SEMBNXWZGCGUBR-UHFFFAOYSA-N 455.580 5.616 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2[C@H](C)CC(C)C)nnc1-c1ccc(Cl)cc1 515649327 DBHINJYYNMDIFO-MRXNPFEDSA-N 459.019 5.319 30 20 JKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 516021997 XIQOYJUIHHWGGN-SECBINFHSA-N 454.317 5.161 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)c2)cc1 516077538 SYFQVQLQIZAVPX-UHFFFAOYSA-N 487.987 6.112 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 516388780 PHIIPSINCULLSO-NRFANRHFSA-N 477.586 5.395 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccc(Cl)cc3)CC2)cc1 516782721 BSPGAIXRRICSIG-UHFFFAOYSA-N 495.988 5.043 30 20 JKED CCN(Cc1ccc2ccccc2c1)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 517178795 FXORNEHBJBBLKO-UHFFFAOYSA-N 453.502 5.187 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCCO5)n3)n2)cc1 517532424 HILRIJBRSWLMHC-QGZVFWFLSA-N 475.551 5.203 30 20 JKED COc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 518662767 PJMYTYPBJVYPPI-OAHLLOKOSA-N 497.960 6.553 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 520363530 LUJWODSNPSEPGR-UHFFFAOYSA-N 476.373 5.480 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1)c1ccccc1 520428873 AOEGPHUOWCEZAA-YJBOKZPZSA-N 461.493 6.113 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 521697225 ZMORAMACCHOKGT-XMMPIXPASA-N 473.508 5.223 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 521755922 RYNBQQHQIUSXHE-KRWDZBQOSA-N 462.619 5.011 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 521812376 RLCXWBOUEDROFF-ZBFHGGJFSA-N 454.596 6.535 30 20 JKED O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593039762 PSDFTNYSPASBOB-DTORHVGOSA-N 494.745 5.142 30 20 JKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593039776 SDSSONSEGCFQCP-GHMZBOCLSA-N 478.380 5.837 30 20 JKED COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 596386959 QUIMRSVTCNPKTE-UHFFFAOYSA-N 455.514 5.486 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 600821078 KFFVFZCDOLPHMZ-UHFFFAOYSA-N 486.597 5.023 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cs2)cc1OC 603621871 ARSWDFVEMRSKIJ-UHFFFAOYSA-N 472.526 5.067 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1c1ccccc1OC 603764428 GCIYFEKDABGOEV-RBJSKKJNSA-N 498.583 5.473 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 603872356 FXGFQRJYLOQTHE-UHFFFAOYSA-N 466.335 5.218 30 20 JKED CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604160473 LXLHULCNKUFJHY-SFHVURJKSA-N 458.370 5.307 30 20 JKED CCc1c(C)sc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1C#N 609031917 ZBORTIFVIQYDHQ-UHFFFAOYSA-N 452.424 5.619 30 20 JKED COc1ccc([C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccc(F)cc2)cc1 609058652 JBWGHLUFSWOBSK-SANMLTNESA-N 456.473 5.397 30 20 JKED COc1c(Br)cc(Cl)cc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609069134 DQMJPSHKMMJLPN-UHFFFAOYSA-N 461.699 5.407 30 20 JKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 609079744 KECXXMTWLICXKA-UHFFFAOYSA-N 489.019 5.839 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1C 609370958 MTSLNJCLQZMECJ-MRXNPFEDSA-N 469.661 6.024 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616089595 BRQOXLPRNODSOS-WDNDVIMCSA-N 450.345 5.756 30 20 JKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1cc(F)c(Cl)cc1Cl 725843425 SPBNOOKJGQQXFP-UHFFFAOYSA-N 465.356 5.494 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nnc(-c4cc5ccccc5o4)o3)n2)cc1 726325290 MNHLUEOUCXSBJY-SFHVURJKSA-N 465.494 5.287 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3cscn3)C2=O)cc1 726421270 PAWPTFUJEABWDI-PJTSVVBSSA-N 470.645 5.103 30 20 JKED COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1NC(C)=O 726429878 WFWRLKUFIVLLFA-MDZDMXLPSA-N 458.345 5.410 30 20 JKED Cn1cc(CCCN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3ccccc3c2)cn1 726738002 NRBPZRFVYDMFEH-RUZDIDTESA-N 497.624 5.166 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2cccc(OCCCC#N)c2)C(=O)c2ccccc2)c(Cl)c1 726743813 PZPQBTOUSKKHII-MOHJPFBDSA-N 472.972 6.544 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CC(F)(F)F)cc1Cl 726891664 PMVIZJVPVMNJJC-KRWDZBQOSA-N 485.915 5.180 30 20 JKED CCOc1ccc(OCC)c(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)SC2=S)c1 726986399 PNBKNDNQZMKXQT-JCMHNJIXSA-N 467.616 5.240 30 20 JKED CCOc1cc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)ccc1O[C@H](C)C(=O)N(C)C 727267359 HYNNTRJZHZEIAY-SDSFWRRZSA-N 482.577 5.408 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C#N)c2)c(Cl)cc1Cl 728180151 LUNJZGAGIPPBFI-UHFFFAOYSA-N 492.359 5.472 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C)n1-c1ccc(C#N)cc1 728274637 VBKFXUBEDRJKED-OAQYLSRUSA-N 469.520 5.175 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(Cl)cc3)C2=O)cc1 728424805 IEYKAIZXECWNLT-QHCPKHFHSA-N 499.983 5.244 30 20 JKED Cc1ccc(-n2c(-c3ccccn3)nn(CN3CCC(Oc4ccc(C#N)cc4)CC3)c2=S)c(C)c1 728903665 SJNXICHZLDSHQT-UHFFFAOYSA-N 496.640 5.455 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCO[C@@H](c3ccccc3Cl)C2)c1=S 728905090 YDHCIXWGTDFMOC-OAQYLSRUSA-N 474.989 5.003 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O)NC1CC1 729142250 IVLBUJLYMFVGNX-JTHBVZDNSA-N 469.557 5.106 30 20 JKED N#CCOc1cccc(NC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)c1 730477833 JQFUDSBEBJGJAP-OAQYLSRUSA-N 455.283 5.249 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1 730530059 BMQPHWWDAXRHMA-NRFANRHFSA-N 469.513 5.281 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc(-c2c(F)cccc2F)cs1 730693766 DOVVHZLHFSKCKT-GFCCVEGCSA-N 493.482 6.526 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(OCc3occc3C(=O)O)cc2)ccc1SC(F)F 730949559 YBJBKHNJMFYCGU-YWEYNIOJSA-N 460.454 5.776 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731060509 WYKZNJUWWUNAEM-CYBMUJFWSA-N 487.940 5.490 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731070181 SNBOGOOOBSQLQX-INIZCTEOSA-N 465.600 5.090 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCCc2c[nH]c3ccccc23)C1=O)Nc1cccc(O)c1 731305657 FSXYEEXRFMPTBZ-RUZDIDTESA-N 498.608 5.467 30 20 JKED CCOc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)cc1 731307414 RTWHYHCYEAJLTO-HSZRJFAPSA-N 493.560 5.091 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)c1 731320603 XREBPTPHEWZBJR-UCQKPKSFSA-N 486.984 5.656 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S 746032561 DVUSFDPYYHRHMF-UHFFFAOYSA-N 475.021 5.858 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 749668533 ZZJXATDGEOMKRM-SQJMNOBHSA-N 459.590 5.477 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O 750910442 LTSPBKUBFCHAAY-XMMPIXPASA-N 468.582 5.103 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3ccccn3)C2=O)cc1 837302418 WQTIVHQQYQBGCV-JTSKRJEESA-N 462.550 5.251 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccs2)C1=O)Nc1ccccc1F 837746126 ZARQQFWPPBQHBK-FQEVSTJZSA-N 471.554 5.229 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N([C@H](C)c2cccnc2)C1=O 838232176 LCKRCYYUCYIDFY-HXOBKFHXSA-N 492.576 5.259 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc(Cl)c(C(F)(F)F)c2)CC1 915137860 RORDPRSPFHXFDN-UHFFFAOYSA-N 465.815 5.300 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 915151224 UDHPHIWDTNSTBG-UHFFFAOYSA-N 472.595 5.033 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc(Oc3ncccc3C#N)cc1C)O[C@H](C)C2 915860288 QWECACHCIRBOMG-RUJXFNLJSA-N 455.514 5.428 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C2CCCC2)C1=O 916210120 ATHLSFKSIVYTHV-QFIPXVFZSA-N 451.592 5.378 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(Cl)cc1 916212546 XMJWZSKEMGOPHS-HXUWFJFHSA-N 459.999 5.035 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1 916215605 YBJKJMIBIRCKND-QGZVFWFLSA-N 467.900 5.505 30 20 JKED COc1ccc(OC)c2c1CN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)C[C@@H]2O 916684254 UZWKIJJIZJTOQB-KNQAVFIVSA-N 477.948 5.094 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1 916950253 SMUGSTJQJZMYEV-GAJHUEQPSA-N 496.007 5.062 30 20 JKED N#C[C@H](C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1nc2cc(Cl)ccc2s1 917042725 DKTNJCSHWHXIIG-GOSISDBHSA-N 473.941 5.356 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 917427796 LTTNMZMLBNERLO-RBUKOAKNSA-N 462.550 5.378 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3ccccc3)cc2)cs1 917562807 KOKRVVQFBIFKMG-WJDWOHSUSA-N 472.541 6.442 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(OCc3cccs3)c(OC)c2)cc1 917589652 BEYOZSSXVAVOTK-UHFFFAOYSA-N 466.588 5.164 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(C[C@H]3CCCO3)C2=O)cc1 917701107 RUGLVUREZKBHHE-RPWUZVMVSA-N 473.598 5.288 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 918318834 FNHBUMTXKYNVIL-VWLOTQADSA-N 460.537 5.078 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)c1C 918944191 HSCPFVSKHYMAPE-HHHXNRCGSA-N 480.568 5.101 30 20 JKED C=CCN(C(=O)COC(=O)CCn1cc(Cl)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919570547 AWHZGMYVVUGDOB-UHFFFAOYSA-N 499.807 5.119 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccn2)ccc1Cl 919827303 KQRZJZVGMUXETI-QHCPKHFHSA-N 482.005 5.094 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 920107541 DAJUUYDPSXSCAV-GTNSWQLSSA-N 498.338 5.009 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1-c1ccc(Br)cc1 920264991 HBDFEPGGGYBBPG-HXUWFJFHSA-N 477.387 5.865 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc2ccccc2c1 920871454 SXDKTJKCKJJYLS-HOYKHHGWSA-N 491.613 5.091 30 20 JKED CCN(CC)c1ccc(C=Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)c(O)c1 920943476 LLVLLLVJAQNDJY-UHFFFAOYSA-N 497.599 5.039 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCC3)cc2)C1 1785810654 ZNZGPKVWJYNAKC-QFIPXVFZSA-N 469.626 5.026 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3(C)CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1785814570 KHDZNOJGYVJBGS-NRFANRHFSA-N 469.626 5.170 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)CCC2)cc1 1785842671 ZKJGZUPWSBZPBX-OAQYLSRUSA-N 497.636 5.039 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4CCCCO4)cc3)CCC2)cc(C(F)(F)F)c1 1786646912 PWLQZTJIXCZYSF-JOCHJYFZSA-N 485.506 5.284 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1786680079 ITHJIWJWQYDGGK-UHFFFAOYSA-N 463.603 5.012 30 20 JKED COc1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c1F 1788648369 DKPWPTIJCHIINP-OUKQBFOZSA-N 478.545 5.083 30 20 JKED Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649508 OTSOZOVQYOUQQO-BUHFOSPRSA-N 474.582 5.009 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc4scnc4c3)CCC2)cc1 1788650808 UYBHCYQAOOAOPL-PKNBQFBNSA-N 487.606 5.545 30 20 JKED CCc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083701 HHRSQMZVYGFRKH-UHFFFAOYSA-N 462.937 5.132 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(F)c(Br)cc4F)cc3)CCC2)CCC1 1790657877 RVUFWXKIQDNCQC-UHFFFAOYSA-N 488.332 5.169 30 20 JKED C[C@@]1(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)CC1(F)F 1790746605 HQNDGRCRJYWHSY-NRFANRHFSA-N 488.332 5.114 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)o1 1790785153 QKSKACKBDBLQBK-UHFFFAOYSA-N 482.462 5.243 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cccc6ccoc56)cc4)CCC3)c2c1 1790956999 VVVTVSRTYOADAF-UHFFFAOYSA-N 475.508 5.242 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccnc4)CCC3)cc2)c1 1792123484 DFMIZQGFJKOMGN-FQEVSTJZSA-N 452.558 5.089 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(Br)c3)cc2)CCC1 1792179437 UFZLARKJQSQDAF-UHFFFAOYSA-N 459.771 5.264 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(-c2ccccc2)c2ncccc12 1796548521 TYUPUJWIEQRBLD-VILGAWFOSA-N 468.601 5.046 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1C(F)(F)F)c1ccc(C(F)(F)F)cc1F 1797020000 NUWHCFGDRYWHNZ-CLLJXQQHSA-N 478.364 5.022 30 20 JKED Cc1cc(Br)sc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2 1799430678 NRSTZPIJPGVXJP-DQEVTTJGSA-N 486.435 5.012 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)cc2Cl)c1 1800416021 VWXSNDBZBPVYPN-GAZPGATBSA-N 489.925 5.551 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3ccc(CCCCC)cc3)[C@@H]2c2cccnc2)C1 1802405461 CKFITKIKSDGUHN-VHBPULDVSA-N 471.645 5.500 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)[C@H]2c2cccnc2)C1 1802416941 SHSVGYXHUWAHAD-IERDGZPVSA-N 477.914 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)[C@H]1c1cccnc1 1802499803 JEDYYFKDNVUZPW-DHLKQENFSA-N 458.606 5.183 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1803090771 IQAWFQBSRGOORL-PPJWLVRDSA-N 478.036 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803229115 UKKHHYRMFIHYCY-XERFRFFQSA-N 494.079 5.949 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1803602752 DXSQGCZMKXDEED-UXPWSPDFSA-N 499.986 5.028 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)C3)c1 1803685243 YVXMVMVCLQAIJG-JVYGSCRNSA-N 497.561 5.474 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1805679517 ZUOFOJLXHLUKNI-URXFXBBRSA-N 465.638 5.593 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC2(CCCN(C(=O)[C@@H](S)C(C)C)C2)CC1 1806067683 TYLBLELXLQAZDP-IBGZPJMESA-N 457.467 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4cccc(OC)c4)c3)C2)CC1 1807449156 LIMZLJNZMZVPPV-UHFFFAOYSA-N 477.649 5.528 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808544371 TXWJKSVTGATRET-OARDWFSCSA-N 480.612 5.232 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@@H]1c1cccnc1 1811272875 JFHOKKGFIGBXGY-LXFBAYGMSA-N 494.595 5.336 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c(Cl)c1 1811734989 VCQALXXKIIXAPB-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1)C(F)(F)F 1812678381 CROOVFPFZGJAGP-GBXCKJPGSA-N 495.501 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1812829975 DVZFRHZITYYGBC-STROYTFGSA-N 459.634 5.222 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1813837659 IQWUCUJLWNMDDW-AGILITTLSA-N 451.998 5.131 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)[nH]n1 1814445157 AIYCSGCGKQWHRL-HXUWFJFHSA-N 491.558 5.441 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)cc1 1814498293 VUZVBPIFDYGNJJ-SFHVURJKSA-N 475.599 5.106 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1 1816826026 UQNXQTORZICRMD-NFQMXDRXSA-N 491.595 5.739 30 20 JKED C=CCC(CC=C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)sc2C1 1816947844 FYVZQYNZCKYZEN-KRWDZBQOSA-N 498.052 5.001 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593059 WKMZFAQKHDUGSJ-HTAPYJJXSA-N 465.985 5.619 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)n[nH]2)ccc1F 1818932038 ZHJHNPHOABHHKH-PTGPVQHPSA-N 491.611 5.262 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1819302999 PWFUZCPIFHRCSO-GGAORHGYSA-N 485.028 5.683 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)[nH]n1 1819306138 XSFHHBLYSRHJTN-NQIIRXRSSA-N 490.633 5.311 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)[nH]n1 1819386917 OWEVZTGYORLEDN-OAQYLSRUSA-N 472.612 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2occc2Br)[nH]n1 1819554207 LBCOHWDYQYGGDP-MRXNPFEDSA-N 463.376 5.064 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3N3CCCCC3)n[nH]2)cc1 1821307978 FKUQNHVLNSJKQL-AREMUKBSSA-N 496.615 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)c(C)cc2OC)n[nH]1 1821341876 WYLACIYZHXGBTM-KNQAVFIVSA-N 450.583 5.109 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)[nH]n1 1821919251 SULPWASXPUAFCS-QRQCRPRQSA-N 481.000 5.280 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(Br)cc3F)CC2)C1 1823703214 SWALRLFKRBLEAL-HSZRJFAPSA-N 491.445 5.107 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 1823812246 MNXFWEOHVOAWKX-MUUNZHRXSA-N 465.597 5.187 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)CC1 1824446556 JMRDAOYAUWKAQF-HSZRJFAPSA-N 479.036 5.470 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](c3ccccc3)N(CC)CC)sc2C1 1824758709 KYJSQFGXSDSCJY-REWPJTCUSA-N 482.694 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)CC1 1824824234 IYXRJGPJHRERPS-ZIDCQCFHSA-N 456.577 5.366 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1824831251 XVMRPAPZHDOCNO-IQWMQGJTSA-N 475.555 5.160 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccoc2)CC1)c1ccccc1 1825055081 ZQRQTJQFUPGPLH-XJXZZZRASA-N 458.602 5.110 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1827297182 SHIPGAUBQCDKDD-VDZCTEQFSA-N 493.673 5.113 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827327353 DXUMSWWJPQQKBB-NDEPHWFRSA-N 489.660 5.273 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1828879416 JAXOTUWRUDPVEM-JGXQXMPLSA-N 473.642 5.406 30 20 JKED COc1cc(F)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828907774 IPRAKNRSRYEBJJ-XMMPIXPASA-N 486.704 5.119 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 1829098899 ZCXHYUOYTCDEAQ-SANMLTNESA-N 489.685 5.130 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)nc2C)CC1)c1ccccc1 1829530902 ATDPKHJTNONHQW-WUFINQPMSA-N 471.645 5.129 30 20 JKED Cc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1829943926 KKPOEAQFCWIABB-DEOSSOPVSA-N 483.534 5.433 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)CC2)c(Cl)c1 1830191336 VOYACAANNKHWGB-AREMUKBSSA-N 489.019 5.169 30 20 JKED O=C(c1nccs1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601579 DJMSGQJULILKTM-AREMUKBSSA-N 483.637 5.090 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)cc1 1830631348 BWELUMQEWJGOKZ-QFIPXVFZSA-N 485.415 5.002 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)cc1 1830632958 BFGNHTSBRXBIGF-HHHXNRCGSA-N 455.602 5.177 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cc(C)ccn23)CC1)c1ccccc1 1831014038 ZVPQJTJFFWKFIU-KAYWLYCHSA-N 496.655 5.073 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1831305799 ALRQCOCUUMRDIE-LOSJGSFVSA-N 457.058 5.666 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1831371038 QNLXSQBTHKYLKZ-HXOBKFHXSA-N 486.454 5.376 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831861812 YYHSEHTUDAUNOK-XMSQKQJNSA-N 450.545 5.091 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1832030360 NLKHODWLSHIQFU-VWLOTQADSA-N 488.713 5.482 30 20 JKED COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1F 1832635369 BTQVWQRIJZAXKT-DFBJGRDBSA-N 477.580 5.008 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)CCC1 1832788591 XLFZXCRANVZLKV-OAQYLSRUSA-N 495.973 5.215 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)cc1 1845513485 SDIVUKKDJYSHNA-JXMROGBWSA-N 485.531 5.009 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C2)c1Cl 1846899173 ZQMANKKRQUQDHU-UHFFFAOYSA-N 483.182 5.303 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 10167664 MFXDBJBXQMPSNR-UHFFFAOYSA-O 492.665 5.753 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(Cl)cc1Cl 10836204 BRZJIXPKBKMEQM-UHFFFAOYSA-O 464.825 6.548 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113131 DJWXKQQNZZRMDW-UHFFFAOYSA-O 488.561 5.810 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)ccc2c1=O 11517231 MSLIYDUIPUHAFX-UHFFFAOYSA-N 459.527 5.298 30 20 JKED Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)c1 11684594 SACWVNQTCMVYQC-UHFFFAOYSA-N 487.581 5.010 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2sc3c(c2c1=O)CCCC3 17652929 RFGSCWYVOQZMQV-GFCCVEGCSA-N 456.618 5.488 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 18022698 UYBSFKVDCRUDCI-UHFFFAOYSA-N 470.938 5.047 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2ccccc2)cc1C 20037306 BRZGBMWRLKZAFV-UHFFFAOYSA-N 453.571 5.348 30 20 JKED CCCCCn1c(SCC(=O)Nc2sccc2C#N)nc2sc3c(c2c1=O)CCCC3 21120739 KUVLSBNHNQSWEC-UHFFFAOYSA-N 472.661 5.191 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nc2cc(-c3ccccc3)sc2c1=O 21494590 QCCMFHCCJYISTR-QGZVFWFLSA-N 478.643 5.134 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(CC)cc2)cc1 22693319 ACPRWTGFYUVSTJ-UHFFFAOYSA-O 455.603 6.139 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22731242 GNPNGJJEIRYOGC-UHFFFAOYSA-O 463.623 5.730 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 26870916 KZRISMSMSBAMHU-GOSISDBHSA-N 486.996 5.694 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc3c(c2)CCCC3)c1C 28793463 DNCPPGSXUUAUNT-UHFFFAOYSA-O 474.650 5.668 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(C(CC)CC)cc2)c1 28811047 JDFXEDLWXQRNNJ-UHFFFAOYSA-O 490.649 6.708 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)cc1 32058446 MIRIRGYMVGKHQE-UHFFFAOYSA-N 467.323 5.196 30 20 JKED CCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 46691647 BYMDGHVIJZVWPQ-UHFFFAOYSA-N 452.942 5.440 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 105744238 JZUUHXWFHXCQDL-UHFFFAOYSA-N 467.960 6.116 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2ccc(Br)cc2c1C 107805979 GZABEKKPDAGTCP-UHFFFAOYSA-N 462.303 6.123 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 109728184 XVZVZMJJYSPWTB-UHFFFAOYSA-N 484.383 5.657 30 20 JKED N#CCCCOc1cccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)c1 110420879 FQMVFBPHDHENPQ-UHFFFAOYSA-N 461.468 5.308 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3cccc(Br)c3)s2)cc1 255949626 NLHGOXPPRPDBMP-UHFFFAOYSA-N 459.394 5.036 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3cc(Br)cs3)s2)cc1 303294673 LKAKAIAVOFZUEY-UHFFFAOYSA-N 465.423 5.097 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)n1 476851284 PURJMDORAYSJMQ-LLVKDONJSA-N 468.585 5.422 30 20 JKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 481133831 IHONFRNYXXPWSX-DEOSSOPVSA-N 473.548 5.509 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cs1 481971792 FRDQTLGGSNTKBN-UHFFFAOYSA-N 463.506 5.809 30 20 JKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 484293977 VAOMJHKFUCBSFD-UHFFFAOYSA-N 472.307 5.577 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c12 487417063 JTYJKWMCVPWHAF-UHFFFAOYSA-N 451.511 5.370 30 20 JKED Cc1ccc(C[C@H](C#N)Sc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)cc1 494169882 YUYGHYLULOAOQQ-HXUWFJFHSA-N 485.579 5.807 30 20 JKED CSc1nc(O)c(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1C#N 497869112 OPKDDSVKALHICX-UHFFFAOYSA-N 489.988 5.159 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)n2)cc1 499598387 CVHDNDGWKYFBQL-CQSZACIVSA-N 487.894 5.862 30 20 JKED CC(C)Oc1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 499908323 GJWLCWHYPNBALG-UHFFFAOYSA-N 459.571 5.006 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1nnc(SCc3ccc(C#N)cc3)s1)O[C@H](C)C2 500123272 LEHZIRFRUOQPHR-HEFCMCLBSA-N 492.626 5.166 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3sc(-c4ccccc4)nc3-c3ccccc3)CC2)c1 501707600 PGCPTRHRLZQJEI-UHFFFAOYSA-N 492.604 5.840 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3sc(-c4ccco4)nc3-c3ccccc3)CC2)c1 501716038 MEJLRASGQXPUOL-UHFFFAOYSA-N 482.565 5.433 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)CC2)c1 501719950 MAMLVERQDILXEK-UHFFFAOYSA-N 494.570 5.656 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 502243915 CQXIQDYZZNKJAH-UHFFFAOYSA-N 458.945 5.526 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)ccc1OCc1ccc(Cl)cc1Cl 502675765 OBDDZASXCOYAHY-SFHVURJKSA-N 456.329 5.478 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 505952488 BGPDMSPYNQIXJV-UHFFFAOYSA-N 460.500 5.150 30 20 JKED COC[C@@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 508878062 ZOQFOVXCJHEOHX-MRXNPFEDSA-N 481.647 5.085 30 20 JKED CC1CCN([C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2cccs2)CC1 511302787 DMUFYWBDLHNCLI-SANMLTNESA-N 488.657 5.988 30 20 JKED CCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 511721146 FEWRMBPEERUSMT-LBEMBMLNSA-N 461.631 5.583 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2C2CC2)cc1Cl 514558359 IBBDDBFNLQRGEJ-UHFFFAOYSA-N 483.959 6.331 30 20 JKED C=CCn1c(S[C@@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccc(Cl)cc1 514985813 LUEXTPKOUWGNLH-RBBKRZOGSA-N 483.037 5.541 30 20 JKED CCN(CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 516416288 NQYDLHHIMFMFFY-VWLOTQADSA-N 489.019 5.092 30 20 JKED Cc1cc(COc2ccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc2Br)no1 518207276 DMNYENCPBCELDQ-OAQYLSRUSA-N 482.378 5.617 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(Br)cc1 518684791 MNZKTIGKAPTRPK-KBXCAEBGSA-N 476.396 5.127 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)cc1 518709285 QRTOEHUWYJESPR-IBGZPJMESA-N 494.686 5.578 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 518757042 UMWUTQFVDRHSSI-UZLBHIALSA-N 475.536 5.792 30 20 JKED CCN1CCN(Cc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)CC1 518780953 GAXOWIGYGLOBPO-UHFFFAOYSA-N 470.642 5.240 30 20 JKED N#C[C@@H](C(=O)c1cc(Br)c2c(c1)OCO2)c1nc(-c2c(F)cccc2F)cs1 518873571 CFNBUYGDJWOHBU-JTQLQIEISA-N 463.259 5.070 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OCC(C)C 520005681 RTJLTPUVRWEJBS-LJQANCHMSA-N 487.556 5.210 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2cccc(Cl)c2)no1 520835269 FKPGIRRWCDNPLY-UHFFFAOYSA-N 451.857 6.272 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc(C)nc21 522489030 HIHQSMVGWJHASQ-CXAGYDPISA-N 484.412 6.631 30 20 JKED CC(C)c1noc(-c2ccccc2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)n1 524247780 GIRZYSKMPJDACZ-UHFFFAOYSA-N 451.486 5.236 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524390504 PMNSFXFXFUZKCZ-UHFFFAOYSA-N 497.576 5.215 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 524427920 LUCAWAGONLJEOV-DEOSSOPVSA-N 461.949 5.243 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 591615764 NDZMHJWJSZONFQ-SECBINFHSA-N 458.754 5.209 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 603616525 YAZPHIKEUQEQJT-UHFFFAOYSA-N 476.552 5.523 30 20 JKED C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1)c1ccccc1 603763850 IRGXYOPBDGFZBA-LJQANCHMSA-N 498.564 5.037 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)c1 603831289 PFRCQGPZQIXYDZ-HOTGVXAUSA-N 498.427 5.842 30 20 JKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 603831629 KLHCGRRTLCZEQD-UHFFFAOYSA-N 456.546 5.392 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(CC(=O)NC4CCCC4)CC3)cc2Cl)cc1 604406642 LMYTZQAQKRISDB-UHFFFAOYSA-N 480.996 5.697 30 20 JKED N#CCCn1cc(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 604450175 QIHQQBRLHUJUQO-UHFFFAOYSA-N 499.502 5.020 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cccc(C(F)(F)F)c1 608864807 CBSKYTGNVKDHKA-IBGZPJMESA-N 482.462 5.360 30 20 JKED CCOc1c(Cl)cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1OC 609028708 NSUQTPIMPXESPQ-JOCHJYFZSA-N 450.922 5.321 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(OC)c1 609078149 DCOLCWGGMLVONO-AREMUKBSSA-N 471.557 5.832 30 20 JKED COc1ccccc1N1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609079422 BYIXCRDBQAJOTD-UHFFFAOYSA-N 490.991 5.590 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 609404226 LIPMECOQAVXRCH-FOIQADDNSA-N 463.525 5.409 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4nc(-c5ccccn5)no4)CC3)cc2)c1 609433889 PTYDFYMLOZTIHS-UHFFFAOYSA-N 466.501 5.207 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 609434643 FKWRGBXMDWDQTG-KRWDZBQOSA-N 451.571 5.707 30 20 JKED C=CCN(C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)c1nc(-c2ccccc2)cs1 611762963 YUKPJDWRPPOQLN-UHFFFAOYSA-N 488.634 5.925 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 613403818 JSPWOSBRTDDCSG-HNNXBMFYSA-N 468.460 5.683 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nc2sc(C)c(C)c2c1=O 614507297 DBDYBNCJQRKCGE-UHFFFAOYSA-N 453.633 5.179 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1OC 617993997 CBFONNZKSUBYNF-MSOLQXFVSA-N 450.608 5.060 30 20 JKED O=c1c(Cl)c(N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1cccc(C(F)(F)F)c1 618438081 MDLZPXNMXYELIO-PHIMTYICSA-N 493.757 5.472 30 20 JKED CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620051126 HHQAVQHKTZZUON-GDNZZTSVSA-N 494.354 5.068 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCOC2CCCC2)cc1F 726409605 BVKBYROLEAHCEZ-QHCPKHFHSA-N 499.608 5.144 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)cc1Cl 726890200 JLBUGAFFNNELKP-HXUWFJFHSA-N 486.018 5.571 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(-c2ccccc2Cl)n1 727294400 DIZMQRQFAOTACC-UHFFFAOYSA-N 463.740 5.716 30 20 JKED COC(=O)Nc1cc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 727334343 LKNFJXUUADNZKQ-DJWKRKHSSA-N 450.310 5.694 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1 727655514 XUQBCKRTHYYLMF-KAMYIIQDSA-N 473.623 6.773 30 20 JKED N#CCOc1ccc(CNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 727679770 QWEBOCJUUALEIM-UHFFFAOYSA-N 454.313 5.078 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3OCC(F)(F)F)n2)cc1 727955924 XZUFBXZMLFLGMC-MRXNPFEDSA-N 462.449 5.015 30 20 JKED N#Cc1cccc(COc2ccc(NC(=S)NC3CCN(Cc4ccccc4)CC3)cc2Cl)c1 727978203 CAEIDPFMUOAITA-UHFFFAOYSA-N 491.060 5.742 30 20 JKED CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 729564744 IOBGLNVDROGPNE-FQEVSTJZSA-N 450.539 5.214 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 730692117 TYFONFCPKJYRPZ-INIZCTEOSA-N 482.512 6.119 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2cocn2)C1=O 730717961 CZKWHJUNUIUMEN-QFIPXVFZSA-N 496.564 5.071 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1C 730942811 XMNHWJDWOHKAGT-MBSDFSHPSA-N 476.577 5.559 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1 731076423 CUPDHZVEXMWIJW-AWEZNQCLSA-N 487.553 5.207 30 20 JKED CCN(CCC#N)Cn1nc(-c2ccc(Br)cc2)n(CCc2ccccc2)c1=S 742540266 FDTQOJVMPQLRPQ-UHFFFAOYSA-N 470.440 5.279 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1c(C)cccc1C 746695486 GQLUAGMHEWMAFA-OAQYLSRUSA-N 453.608 5.080 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cscn2)cc1 747602172 YKXHIRJVIJRYQU-QHCPKHFHSA-N 486.622 5.765 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)cc1 747603919 WTNZFAUDFYWKDZ-JOCHJYFZSA-N 478.643 5.483 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)CC2)c1 749332935 HINSTKJFXZRYLZ-UHFFFAOYSA-N 465.985 5.085 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(CC(F)(F)F)C1=O 799214459 MCVPAGGQWTVTAQ-GOSISDBHSA-N 499.942 5.488 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837301616 MGNYMRLYKNAAFX-RDPSFJRHSA-N 472.614 5.728 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCc3cccs3)C2=O)cc1 837519057 INCXDKPHVAHDBN-JOCHJYFZSA-N 477.611 5.154 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)C2CC2)ccc1Cl 875157519 JGOSSWTWAZKQMM-OAHLLOKOSA-N 467.418 5.245 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913119126 JKPNMUHRELGSMB-LJQANCHMSA-N 493.416 5.322 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3sccc3C)C2=O)cc1 914541109 KJCOSIXLDAKZFD-NRFANRHFSA-N 495.601 5.559 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2sccc2C)C1=O 914548971 WOMAYUYRCVYHGC-HXUWFJFHSA-N 483.590 5.365 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1Cl 914882379 LZJWKJDTBJWPHH-LBPRGKRZSA-N 482.393 5.341 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 915087016 ZHOBQNDNGMAQEW-QPPBQGQZSA-N 489.522 5.434 30 20 JKED COc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)n2)cc1 915103522 WKWAASJMOFDQIA-QGZVFWFLSA-N 499.379 5.985 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 915353762 QLCQTNCJUFWKPS-RSXGOPAZSA-N 474.992 5.190 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)ccc1Cl 915576586 BOZPVDICFXFXID-UHFFFAOYSA-N 480.952 5.289 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(C2CCCC2)C1=O 916204949 GACLKEDEQUOCIS-HXUWFJFHSA-N 475.973 5.391 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(Cl)cc1 916211459 OASRAWQQGICILQ-LJQANCHMSA-N 480.417 5.299 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 916310686 DHUCRPJSQCJQMM-UHFFFAOYSA-N 456.483 5.484 30 20 JKED CC(C)Cc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847852 XBTVVICXPXBDES-IBGZPJMESA-N 461.587 5.314 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2)cs1 916885934 AJJAAFNKIRGYSA-LJQANCHMSA-N 489.594 6.020 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(OCCC(C)C)c(OC)c1 916902543 ZORPPYJWRZDDFI-QGZVFWFLSA-N 458.942 5.052 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCSc1ccc(Cl)cc1 916903664 VFYZRNNIZVJGMK-MRXNPFEDSA-N 451.375 5.530 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 916927958 FYISNQUAMIBIFG-MRXNPFEDSA-N 488.400 5.020 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc(C3CC3)nc21 916928179 VSESJFOOQLEIDL-HNNXBMFYSA-N 456.333 5.158 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 916951626 ZPPVGQFHSPCGRE-MBSDFSHPSA-N 461.587 5.434 30 20 JKED Cc1cc(SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(C)cc1Br 917041477 SYLPVTDMYCVISW-CYBMUJFWSA-N 464.335 5.779 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046615 LJSPZDVQTKEROV-SKDRFNHKSA-N 470.175 6.009 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Oc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 917060340 QJJWPMXRUWAFKC-UHFFFAOYSA-N 463.946 5.744 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2ccc(Br)cc2)c1=S 917488137 ZJRPWSORLLWZSD-HXUWFJFHSA-N 485.451 5.833 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccccc2C)[n+]2ccc3c(c2)CCCC3)C=C1 917606674 CCQCBUHHPMHYQB-UHFFFAOYSA-O 473.618 5.746 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H]1CCN2CCC[C@H]2C1 917663415 MUEQFROPMQDRRC-QZNHQXDQSA-N 497.064 5.236 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccc(C#N)cc2)C1=O 917664349 GWZGCVBUZFSIJQ-DEOSSOPVSA-N 484.581 5.036 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(Cl)cc2)n1 917678911 ULJPZIYQAQXGLP-OAQYLSRUSA-N 482.968 5.343 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(C)c(F)c2)n1 917688296 COCGASLJKWWVJD-JOCHJYFZSA-N 498.530 5.276 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(Cl)s2)C1=O)NC1CC1 917701301 OBYAYSSUYOTVRV-LJQANCHMSA-N 470.019 5.355 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)COC(=O)c2ccccc2-c2ccccc2C#N)cc1 918902578 ZKGYBWUMPSUERR-AREMUKBSSA-N 454.526 5.144 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920110624 SRPAPBSBTFNBPM-GOSISDBHSA-N 497.320 5.740 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1nc(-c2ccccc2)cs1 920113168 BLFPCYNWRKPOMN-KBXCAEBGSA-N 456.354 5.346 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 920870931 VOXUOVGZCNZBGJ-YJYMSZOUSA-N 498.407 5.375 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1C 920893489 WMWPEGZUYLBRGO-OAQYLSRUSA-N 472.589 5.696 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC(F)(F)C4)cc3)CCC2)c(Cl)c1 1785804999 PEITXUOZUGCQPZ-MRXNPFEDSA-N 457.908 5.395 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC(c5ccccc5)=NO4)cc3)CCC2)c1 1786319058 KEDMGLNYWMCJMI-HRFSGMKKSA-N 492.579 5.255 30 20 JKED COc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)[C@H](S)C(C)C)cc4)CCC3)no2)cc1 1786391747 RXDFPIPZVKLLAU-HSZRJFAPSA-N 479.602 5.052 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Br)cc3F)cc2)CCC1 1786601429 MVOGCWUVCWPAFG-VZUCSPMQSA-N 470.342 5.039 30 20 JKED Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1 1788684138 CYYWBFWDRLCORE-HXUWFJFHSA-N 480.659 5.216 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4snnc4C4CC4)cc3)CCC2)c1Cl 1788846191 KQKNYSCWWCJSKL-UHFFFAOYSA-N 477.977 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5cc(Cl)ccc5n4)cc3)CCC2)c1 1788938390 OFZCAKHFXMFARR-SFHVURJKSA-N 497.986 5.676 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)nc2ccccc12 1789021293 RIEFGMXSARCPQP-STBIYBPSSA-N 466.541 5.003 30 20 JKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)ccc2n1 1789034313 DYABEFCHEONLNG-UHFFFAOYSA-N 474.564 5.671 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789167497 GSZLYAFLNWDJQT-NRFANRHFSA-N 495.664 5.207 30 20 JKED CC(C)(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc1 1789577129 YZOWOYXSUIGAKE-RDRPBHBLSA-N 473.573 5.324 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790089788 CRIPCPMJRJONKL-XZZBMYDMSA-N 495.963 5.363 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5Cl)[nH]n4)cc3)CCC2)CCC1 1790138908 WPYWPNFEORRFOC-UHFFFAOYSA-N 473.964 5.172 30 20 JKED COc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1790273448 HYHNGWWKUQADBU-IBGZPJMESA-N 453.542 5.384 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2)CCC1 1790350570 FUPUKKIKXLHXEO-HSZRJFAPSA-N 463.553 5.057 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)ccc(Cl)c3O)cc2)CCC1 1790757181 CMFMJGNGJJJHPX-UHFFFAOYSA-N 465.402 5.366 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](c4ccc(Cl)cc4)N(C)C)cc3)CCC2)C1 1791127550 YCFGFVLWONUVTQ-QHCPKHFHSA-N 451.998 5.043 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC[C@@H](NC(=O)OC(C)(C)C)C4)cc3)CCC2)C1 1791564821 YDDXSTHKEXRSIK-WMZHIEFXSA-N 481.637 5.170 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4cc(OC)ccc34)CCC2)cc1 1791726599 ZCXSOGORXCDIGB-UHFFFAOYSA-N 457.574 5.047 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CCC2)cc1 1792236461 HKVCYXAHWGHKKE-LOSJGSFVSA-N 483.543 5.014 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C\c1c[nH]c2ccccc12)c1ccccc1 1794229580 CASSRQVBUUTGEM-GRBBKKCYSA-N 465.597 5.017 30 20 JKED CC(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Br)c(C#N)c2)C3)cc1 1799712018 NQOHOSDNBDHRQF-KOUNCHBCSA-N 480.406 5.010 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1 1802958532 QJJZUPVWLISVCV-UHSQPCAPSA-N 488.676 5.588 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2CCCC3)[C@@H]1c1cccnc1 1803091385 GFFJIAQNJOWZLE-SHQCIBLASA-N 457.618 5.048 30 20 JKED Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)ccc2F)C3)c2ccccc12 1804621727 WKFNDPFUHVPLJQ-NUNAXRQHSA-N 469.560 5.044 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)Cc4cc(Cl)cc(C(F)(F)F)c4)CC3)C2)C1 1804788429 NMXXELRASUIWQE-UHFFFAOYSA-N 468.947 5.099 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)oc3cc(O)ccc23)[C@@H]1c1cccnc1 1809277534 HODJJHLXZFXVNG-CPJSRVTESA-N 475.589 5.154 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1809404712 RDBWFWDDPCFJPZ-YKSBVNFPSA-N 479.024 5.528 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1810178612 RHKSIMCFLWKYCJ-GEQKSPFYSA-N 473.951 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCNc2ccc(C)cc2C)[C@H]1c1cccnc1 1810369119 IBOBSWYJLCIEFS-RPLLCQBOSA-N 476.665 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)[C@@H]1c1cccnc1 1810503067 NWSDAFDNGGKWTM-ILBGXUMGSA-N 472.589 5.049 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)Cc2ccccc2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811252679 XOOKJMHRYBSCOA-CDZUIXILSA-N 499.614 5.044 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1813227561 HAMUFIJSDUKITI-FIBWVYCGSA-N 473.661 5.256 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2OC)[C@@H]1c1cccnc1 1813909006 BYKDQFPHPHLVFF-CVDCTZTESA-N 470.013 5.056 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814412865 GWCBURSNNFNJOR-IURSYISVSA-N 479.993 5.406 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2)cc1 1814500337 NFSJALSALQCLHY-OAQYLSRUSA-N 482.371 5.137 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)[nH]n1 1814829434 QWUSOUSAKWVFSN-GMHONNGPSA-N 462.619 5.058 30 20 JKED CC(C)n1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(F)(F)C(F)F)n[nH]2)c(C(F)(F)F)c1 1815542102 POYNSRQISKUZSU-AWEZNQCLSA-N 497.415 5.017 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1819302516 GSZIHPDPHWRMEO-RXVVDRJESA-N 492.517 5.571 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[nH]n1 1819307322 FPZMXXZRSXEATI-CVDCTZTESA-N 493.011 5.528 30 20 JKED CCOc1ccccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1820452963 CTDKOVYCOIYUKD-JOCHJYFZSA-N 480.685 5.165 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)[nH]n2)cc1 1820553242 CBXORGPZYDCNNS-FQEVSTJZSA-N 485.441 5.059 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1 1820976970 RRPRWNFNSVWZHK-YWZLYKJASA-N 494.423 5.142 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2F)n[nH]1 1820997123 AZLMUUROAGJYQD-YKSBVNFPSA-N 480.584 5.412 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2)n[nH]1 1821131005 MVTBJYMEONZESG-AZUAARDMSA-N 458.509 5.085 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(-c4cnco4)c3)n[nH]2)c1 1821187119 FTVYYDDDQWVELQ-UUOWRZLLSA-N 494.555 5.311 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1ccccc1 1821278811 WBXWWBFFKIIMBT-OPAMFIHVSA-N 461.953 5.044 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821363952 JGHBOUQWPFEZAG-QFIPXVFZSA-N 477.515 5.211 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1821927671 FPIHFICOFGMMNT-SCLBCKFNSA-N 452.452 5.086 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1821984494 WKRLWDVURAFMLX-SFHVURJKSA-N 461.900 5.062 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)[nH]n1 1822393062 ICNZGSXYWQWBEL-AREMUKBSSA-N 481.600 5.647 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[nH]n1 1822394787 XREVRPNSPBXDJS-LAUBAEHRSA-N 474.527 5.114 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)CCCO3)n[nH]1 1823135608 QQCSYPSVKAYEMB-OAQYLSRUSA-N 450.583 5.033 30 20 JKED Cc1ccc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216135 PARDGBKUCAGNNB-DVECYGJZSA-N 455.562 5.273 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[nH]n2)CCC1 1823379818 NZLCORJFZOTUBL-OAQYLSRUSA-N 482.544 5.151 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)[nH]n1 1823419645 CGUBJVVXDVSYSC-NRFANRHFSA-N 479.378 5.045 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)[nH]n2)c2ccccc12 1823603808 ISZWZIPJPLRQFX-RUZDIDTESA-N 480.572 5.010 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3c(O)cccc23)CC1 1823753059 CCDAYGUUYGVGHN-QHCPKHFHSA-N 463.622 5.166 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)c1ccc(Cl)cc1 1824249020 LUIJKZKAJMSVRN-RPBOFIJWSA-N 481.040 5.213 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1824509565 CNYBBDJHYGLCQZ-DENIHFKCSA-N 454.636 5.034 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 1824962564 MUWKZNRGUIAKCB-FQEVSTJZSA-N 499.902 5.255 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1824963017 WWRGVPYQVOOEQV-HXUWFJFHSA-N 489.003 5.511 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2nc(C)sc2C)CC1)c1ccccc1 1825309201 ZXBBFQNBELPLFJ-AHKZPQOWSA-N 491.701 5.119 30 20 JKED Cc1scc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1C 1826182307 REABJPOMWCFBTQ-MHNQQFQPSA-N 470.660 5.099 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)CC1 1826637698 CXHSSJDLSCPXRR-FTJBHMTQSA-N 482.665 5.025 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1Cl 1827684456 CFRIRUWHONQVRQ-ZJVMWOEPSA-N 485.049 5.382 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)ccc2s1 1828254034 ULXZGINGBLRLHE-DEOSSOPVSA-N 472.614 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 1829065824 FFLRMDLAOPYFQR-FQEVSTJZSA-N 465.560 5.326 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1829234467 OJXYVUTYFVCJBE-JOCHJYFZSA-N 485.415 5.116 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2C)CC1 1829696832 ZMFSNZCNGPHOFH-HSZRJFAPSA-N 491.445 5.324 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 1829958958 MITGKEOJOOEQIW-QHCPKHFHSA-N 470.400 5.412 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830607914 KPEVRCLTRFAQEI-KCWPFWIISA-N 492.664 5.128 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1830633015 DKQUZXVGFLUAKI-GMKZXUHWSA-N 489.582 5.355 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)cc1 1830990942 NBZUQFTXLPRBOH-RUZDIDTESA-N 455.558 5.046 30 20 JKED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1831258577 COLUHAPKAIYVHX-PVAWZGFLSA-N 496.648 5.125 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1831371610 WYRWKZMRLTUQBH-HFZDXXHNSA-N 461.650 5.351 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1831371804 LUGRAXXHZWECIB-VGOFRKELSA-N 467.437 5.204 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccccc2Br)CC1 1831717014 QMTTUTUDLZIGQN-DENIHFKCSA-N 491.470 5.050 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832712498 DFLXDTWZBHKDKB-LJQANCHMSA-N 476.461 5.289 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)CC1 1836697323 HBLUOFSOSMEROO-UHFFFAOYSA-N 496.545 5.225 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1837683324 DOBMENLFYIJQEP-QPVYNBJUSA-N 480.693 5.583 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 1838661207 PGEGKEZVGHKJDT-UHFFFAOYSA-N 498.570 5.303 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1838673669 DAYCNTDQJNVTKP-FQEVSTJZSA-N 494.035 5.202 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2(C)CCC2)C1 1841022633 PCIREEMQUUTKJL-NRFANRHFSA-N 477.690 5.024 30 20 JKED CCCCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nc2scc(-c3ccc(F)cc3)c2c1=O 9357206 SRZYEPFSYSXSPJ-XMMPIXPASA-N 486.638 5.211 30 20 JKED Cc1c(Cl)cccc1-n1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccncc1 9968376 KAMHBNUSYHHGEU-INIZCTEOSA-N 474.977 5.282 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nnc2-c2ccccc2F)cc1 10133256 XKALYAUHKORDHN-KRWDZBQOSA-N 457.534 5.373 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccc(OC)cc1 10533291 YLCJAUWLFADTQL-QHCPKHFHSA-N 456.571 5.612 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158317 UFRYYULVELBJQM-UHFFFAOYSA-O 499.270 7.201 30 20 JKED CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 16827791 DMWDFWMIJNZUQH-HNNXBMFYSA-N 451.621 5.286 30 20 JKED C=CCn1c(C)nnc1SCC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 22164817 NRTGSEBQEWHBRO-UHFFFAOYSA-N 477.011 5.062 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc3ccccc23)cc1 28782915 ZKRQAEQPZFEXHG-UHFFFAOYSA-O 484.601 6.384 30 20 JKED C[C@@H](Nc1ccc(NC(=O)NCc2ccco2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 29720160 ZEENLIUQWDQLNT-MRXNPFEDSA-N 477.590 5.242 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nc2ccccc2n1C(F)F 30545960 MDWKNEJZAHNPLB-CQSZACIVSA-N 459.497 5.780 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2c3ccccc3C[C@@H]2C)c1 104676162 GNKXLPQWIXLKOU-SFHVURJKSA-N 466.990 5.313 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 195664186 IZYKODDNDWBUKI-HNNXBMFYSA-N 457.939 5.923 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(Br)c3)no2)nnc1-c1ccccc1F 215788684 MWLYQGCZEXZHFD-UHFFFAOYSA-N 472.343 5.375 30 20 JKED C[C@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 216056357 XZAUSYOPNLPHJM-ZDUSSCGKSA-N 476.549 5.654 30 20 JKED Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1Cc1ccco1 218674643 RUHNABZXNYNYSJ-MRXNPFEDSA-N 489.626 5.436 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 254908878 WOPRCLXWORXIIQ-QHCPKHFHSA-N 475.570 5.205 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1ccccn1 255598425 VWXKTLBYVOJSGU-JOCHJYFZSA-N 479.005 5.512 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 303424788 ZKDLUXFTQXKTRN-UHFFFAOYSA-N 456.571 5.586 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 485280635 AYXNZWCFEFZTIJ-JTQLQIEISA-N 482.352 5.066 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)s2)c(C(F)(F)F)c1 487325228 VOMYHQBUSFLMLD-LJQANCHMSA-N 487.503 5.434 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 488016926 YNYCVOOSDBEWJR-UHFFFAOYSA-N 489.506 5.341 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1Cl 501783953 GVCNMSCXMYFSKZ-ILBGXUMGSA-N 472.976 5.481 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 503539706 AREVLYXRJUVDJO-FQEVSTJZSA-N 453.527 5.146 30 20 JKED COc1cccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)NCCCCC#N)c1OC 505081911 NZIQYTPRUDXWIL-SRIJWZPRSA-N 469.585 5.799 30 20 JKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 509304160 JKHQFZMINOWIRL-UHFFFAOYSA-N 451.910 5.116 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCOc4c(-c5ccccc5)cccc43)CC2)c1 509872850 NAIDQGCTANVKDD-AREMUKBSSA-N 480.568 5.109 30 20 JKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccccc1OCC(=O)N(C)C 510712395 BFOQCNKXIZCVQF-DEOSSOPVSA-N 486.572 5.399 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511435481 BTDCWHAQZRUFPW-UHFFFAOYSA-N 454.357 6.302 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 511743096 RGIGGNCBZJRINN-UHFFFAOYSA-N 456.571 5.058 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 513471245 LAJBJZWASDFVCW-UHFFFAOYSA-N 474.347 5.994 30 20 JKED CC(C)S(=O)(=O)Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513872028 BJBROXGDXFGNJY-UHFFFAOYSA-N 479.577 5.255 30 20 JKED N#Cc1c(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)sc2c1CCCC2 514568789 HYMCSOCNVITEMD-UHFFFAOYSA-N 470.348 5.359 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cs2)cc1OC 514607791 MCZFBBNHJJMVHQ-ZDUSSCGKSA-N 453.589 5.066 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c(C)c1 515240514 LVMKJNYWEKKZFT-UHFFFAOYSA-N 453.542 6.094 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 516239984 JQWBQKULAVAUJU-UHFFFAOYSA-N 455.537 5.030 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(Br)cc1 518668468 FDFGHTAGQMSAQN-UHFFFAOYSA-N 459.287 5.491 30 20 JKED COc1ccc(Sc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2Cl)cc1 519023863 LRCXIRUOCHREOO-UHFFFAOYSA-N 469.010 5.798 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc(C)nc21 519433837 FCYOCLUCUYQJOD-AWEZNQCLSA-N 461.513 5.988 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 519452244 VNKFENRMUOKEIS-LJQANCHMSA-N 477.659 5.412 30 20 JKED COc1ccc2oc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c(C)c2c1 521812234 LKGOTRRFONKCKH-QGZVFWFLSA-N 469.497 5.230 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 522445026 RGIAXDCWTZWTOY-SFHVURJKSA-N 465.509 5.328 30 20 JKED C=CCn1c(SC[C@@H](O)COCc2cccs2)nc2scc(-c3ccccc3)c2c1=O 549780480 VPIYPVCFOFIUBM-KRWDZBQOSA-N 470.641 5.042 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 557913435 JNIADYLRPFCLCK-UHFFFAOYSA-N 464.909 5.721 30 20 JKED Cc1sc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc1-c1cccc(Cl)c1 560286830 SQTYBSMZHBHVPZ-UHFFFAOYSA-N 493.976 5.747 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C 576690931 ZEFQAJGGLAIUDA-NRFANRHFSA-N 455.558 5.384 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCO[C@@H](c2ccccc2F)C1 589709812 HSKGOMBJGJLEDE-GOSISDBHSA-N 496.379 5.313 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 589723571 DEBFNCNFTJQTIN-QFIPXVFZSA-N 474.388 5.413 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)NC1(c2cccc(C(F)(F)F)c2)CC1 589758398 KEMLWMFFJKUMJR-WDNDVIMCSA-N 462.356 5.903 30 20 JKED N#Cc1ccccc1Oc1ccccc1C(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 594669893 XNEKIBIXEQFJTR-ZDEZRRDYSA-N 463.581 5.333 30 20 JKED Cc1sc2ncn(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c(=O)c2c1C 603758838 KOHGWZYYKHJQJP-FQEVSTJZSA-N 476.989 5.413 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 603831114 IPTZAQBURYPBAQ-NRFANRHFSA-N 482.609 6.353 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c12 604003787 WLFWKQPDSMFPKA-UHFFFAOYSA-N 493.592 5.903 30 20 JKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CSCc1cccc3ccccc13)CCCC2 604502213 IVYKRLCGAKDBOG-NRFANRHFSA-N 459.615 5.443 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCc1ccc(Oc2ccccc2)cc1 608796791 MZHQHRFHCYXZOL-UHFFFAOYSA-N 478.508 5.101 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 608817370 CNKRACVSJKWWSF-LJQANCHMSA-N 488.931 5.453 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 608841603 NNNIGEKGAACMEB-UHFFFAOYSA-N 477.586 5.444 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ccccc3OC(F)(F)F)s2)cc1 608930824 HAVXQRBJQFBBEZ-UHFFFAOYSA-N 464.494 5.172 30 20 JKED COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccccc4-c4ccccc4C#N)cc32)c1 608945048 RRKHADPDHIBUMX-UHFFFAOYSA-N 487.559 5.618 30 20 JKED Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)ccc1F 609382942 XUDANAHRXWUEMQ-MRXNPFEDSA-N 483.590 5.439 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1(c2cccc(Br)c2)CCOCC1 609398828 UVHAGAZTXIBDDM-MRXNPFEDSA-N 474.424 5.528 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 609403417 UTXBTHYQOXPWMV-QGZVFWFLSA-N 456.011 5.158 30 20 JKED CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1 609430384 AIMRJDHRNJQECU-SFHVURJKSA-N 495.626 5.533 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 609437074 OMEHTPKURFPDJA-WMZHIEFXSA-N 476.671 6.063 30 20 JKED CCOc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c2C)nn1 613346601 MIHUBOCQEZFUGS-OAHLLOKOSA-N 499.383 5.290 30 20 JKED CN(C(=O)C1CC1)c1ccccc1C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 613394178 PBOBGHKEQFEVND-VIGZUVBBSA-N 459.615 5.474 30 20 JKED CCc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccc(F)cc1 613405075 UULJAZREUCLHFQ-HNNXBMFYSA-N 458.440 5.692 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cccc(SC)c1 613424956 XZUMQQFRVDCUHK-HNNXBMFYSA-N 475.039 5.538 30 20 JKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCCN(Cc6ccc(C#N)cc6)CC5)(C4)C2)C3)cc1 619221401 JLYDBTIIXPOPJJ-LXNDPQCUSA-N 483.656 5.139 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1ccc2ccccc2n1 623173852 GCZAYYSTSQJPRS-QGZVFWFLSA-N 480.877 6.071 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)cc1 629172061 PPTAUHLZIHFGSJ-UHFFFAOYSA-N 478.346 5.240 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cn1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642157127 IOHJSNQEDTUHIV-URLYPYJESA-N 454.358 5.218 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)nc2sc(C)c(C)c2c1=O 670185414 JRWCWXLTCPJJGT-UHFFFAOYSA-N 496.561 5.019 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2N2CCCC2)nnc1-c1ccc(Cl)cc1 677112131 UZKHSWMGEDUDAV-UHFFFAOYSA-N 453.999 5.116 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/CCc1ccccn1 726113589 ZEGGDLFIZGKFKG-CUBIIZMHSA-N 479.433 5.060 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCc2ccccc2)cn1 726116022 ABOIBWZDOXPCML-XMMPIXPASA-N 489.645 5.113 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2[C@H](C)c2ccccn2)cn1 726118137 JNYDZBBCUBARNJ-KOSHJBKYSA-N 498.612 5.173 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 726277667 CYORWACANMTLGP-ZBLYBZFDSA-N 485.607 5.506 30 20 JKED C#Cc1cccc(NC(=S)N(CC(=O)Nc2cccc(C)c2C)CC(=O)Nc2cccc(C)c2C)c1 726441903 NZJGZEMGFXPLBO-UHFFFAOYSA-N 498.652 5.178 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 726572314 YCYBVZLGOOULDC-UHFFFAOYSA-O 465.942 5.348 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2ccc(CCC)cc2)c1 726573249 TZOGZRSVJHGSFG-UHFFFAOYSA-O 487.648 6.802 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(C(C)(C)C)cc2)c1 726573625 NKLHJEASADIIHJ-UHFFFAOYSA-O 458.563 5.484 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)cc2C)[n+]2ccc(C(C)(C)C)cc2)c1 726574027 YCMDEBRAKQOVGS-UHFFFAOYSA-O 455.647 6.501 30 20 JKED COc1cccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1OC(F)F 726627208 OYXRGEKZEIZJMH-VIZOYTHASA-N 452.891 5.227 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 727233629 TVXWTRFWVDFXLX-ZYHUDNBSSA-N 458.383 5.978 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 727933567 HYJGUSRITGSGAX-UHFFFAOYSA-N 483.450 5.573 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 727974669 LTKQPRWHFZOROP-JYRVWZFOSA-N 460.515 5.332 30 20 JKED N#Cc1cccc(COc2ccc(NCc3nc(-c4cccc(C(F)(F)F)c4)no3)cc2F)c1 728200897 RWKGBHSZAHCYMD-UHFFFAOYSA-N 468.410 5.957 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccc(Cl)cc2)n1 728423810 WNTNBIUYZWRIOQ-JOCHJYFZSA-N 489.988 5.076 30 20 JKED CSc1cc(C(=O)COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1NC(C)=O 728669717 SSZBOBHPMNZMIZ-UHFFFAOYSA-N 460.511 5.071 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)cc1 728777190 JIDXLOWGXUTMGC-OAQYLSRUSA-N 484.025 5.060 30 20 JKED COC1CCN(c2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2C(F)(F)F)CC1 729374738 XEJPKZGGXUTPJI-UHFFFAOYSA-N 456.468 5.051 30 20 JKED COc1cccc([C@H](C#N)NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC 729426929 BONOMBKHDJCRMG-WLMCBFPDSA-N 458.358 5.136 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 729560338 VCLFMQIBCRNBLF-OAQYLSRUSA-N 478.593 5.100 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 729634622 PBILRENURGLMFQ-OAQYLSRUSA-N 482.968 5.343 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n(C2CCCC2)c1C 729780907 SIHKMLCLCBBRPG-UHFFFAOYSA-N 498.583 5.164 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 730561604 GBZZZFSXLNOTMB-UHFFFAOYSA-N 451.592 5.181 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 731079031 AGGWKCQLBPSLMX-OAHLLOKOSA-N 462.493 5.313 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1F 731306805 BWUTTZDRMSECKO-OYHNWAKOSA-N 499.539 5.245 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c1 731309311 RLVOHLWVURTXST-OAQYLSRUSA-N 465.600 5.177 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCCc2ccccc2)C1=O)Nc1cccc(O)c1 731310255 DDBUKDACQUQEMC-HSZRJFAPSA-N 477.561 5.124 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1F 743524102 GRGJOJHQMMLZTR-GOSISDBHSA-N 467.488 5.523 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccc(F)cc2F)C1=O)NC1CC1 745580799 DBQOMPUZGZIWLF-SFHVURJKSA-N 497.539 5.080 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccc(Cl)c2Cl)C1=O)NC1CC1 745583986 KWOHPWBFJPWIDV-KRWDZBQOSA-N 484.355 5.072 30 20 JKED N#CCOc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)c1 746829269 KCJXZVQBAAAVPA-MUUNZHRXSA-N 488.547 5.203 30 20 JKED COc1cc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc(Cl)c1O 747154599 HYPQOAKPIXTZBU-WOJGMQOQSA-N 470.352 6.229 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3cscn3)C2=O)cc1 747598825 FFTGXNQRGDPLKR-QFIPXVFZSA-N 494.642 5.401 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1cscn1 747601884 IUPBBPGNIHMARA-LJQANCHMSA-N 488.997 5.405 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cscn2)cc1 747602186 YNZAMPUFOGPFSZ-NRFANRHFSA-N 464.616 5.174 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc(OC)c1OC 748994724 KTMCZSSKLBRWDC-UHFFFAOYSA-N 463.603 5.378 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 750702420 KIDARSVDLMZWOK-UHFFFAOYSA-N 470.573 6.013 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)CCc2ccco2)c1 837346946 UGCJJDCSMOJVFH-MBSDFSHPSA-N 477.586 5.270 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N([C@@H](C)CCc2ccco2)C1=O 837381497 LCKPPNJOLMSDSB-CYFREDJKSA-N 491.613 5.578 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nnc1-c1cccc(C)c1 855521585 PHQWXHLSUWBSTJ-NSHDSACASA-N 468.451 5.254 30 20 JKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NCc3cc(C#N)ccc3Br)cc2Cl)n1 864007943 BFGOFGULTGCEDG-OAHLLOKOSA-N 486.801 5.599 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1 914547386 NSOAUBCMUJMJBP-VGOFRKELSA-N 479.005 5.134 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 915087939 YLROKQPJJYOQDX-VAVYLYDRSA-N 473.576 5.986 30 20 JKED CC(C)C(=O)N1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 915102499 VEAFLIRHSVLRIF-INIZCTEOSA-N 450.391 5.188 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCc2ccc(C)o2)C1=O 915116934 SXYUPOAUPLLLCP-HSZRJFAPSA-N 477.586 5.108 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1F 916206686 TUGDDEFEYOETMM-GOSISDBHSA-N 478.387 5.349 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(Cc3ccco3)C2=O)c1 916209299 JABCSZPLFFJWKS-NRFANRHFSA-N 499.539 5.658 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 916213938 ISYKFKCUIIFYCB-NRFANRHFSA-N 485.512 5.117 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2Cc2ccco2)cc1 916215557 XMUYRBIOTGDXBU-HSZRJFAPSA-N 493.585 5.020 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1ccccc1C 916663269 FEPZPHDKOWBQRY-UHFFFAOYSA-N 484.581 6.078 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc2ccccc2n1 916848178 DIBQGSLDOJQVAI-QFIPXVFZSA-N 484.353 5.669 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888365 WMJLTCWOVILXNR-KRWDZBQOSA-N 491.516 5.446 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnn(-c2ccc(Br)cc2)c1C 916904135 XFIPSTKFHUDYAQ-FQEVSTJZSA-N 479.378 5.029 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916916685 ZUPPQXNYRFLNHA-NRFANRHFSA-N 485.883 6.155 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 916923406 OAKLQIDJHLBOAH-HSZRJFAPSA-N 481.552 5.522 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 916924891 WUBQRAVIGSAFEW-INIZCTEOSA-N 478.961 5.409 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1Cl 916937888 GPHQMRDRKGMMAP-LJQANCHMSA-N 497.382 5.418 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 916953847 FDTVWOFRKCVBJG-KBMIEXCESA-N 495.645 5.114 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nnc1-c1cccs1 916972298 MSGDFUVFFKUUAI-MRXNPFEDSA-N 465.629 5.427 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 917426503 NHQUHFAHQCMUAU-XUZZJYLKSA-N 496.567 5.379 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)cs1 917560691 VWXTVUYKJPBRGL-UXBLZVDNSA-N 451.935 5.262 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)ccc1OCc1cccs1 917574274 JJSCVIYKBRCXSS-UHFFFAOYSA-N 456.980 5.419 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC)cc3)N(Cc3ccsc3)C2=O)cc1 917685072 SKWIVFUWUXDKNU-JOCHJYFZSA-N 495.626 5.316 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc2ccccc2c1 917699025 QLJLWAPBAQBJQZ-FQEVSTJZSA-N 482.403 5.583 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cccs3)C2=O)cc1 917705149 VCRKLVQFGXATCN-QFIPXVFZSA-N 490.610 5.179 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)cc1 917802995 CLNKEVONQSSEKL-KAMYIIQDSA-N 453.929 6.185 30 20 JKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2SCC#N)ccc1Cl 918648730 XMYCGQNWCYTLLM-UHFFFAOYSA-N 463.990 5.870 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2c(NC(=O)C(C)(C)C)sc(C)c2C)c1C 918897522 BZGGXPNPZQDUGB-UHFFFAOYSA-N 469.607 5.070 30 20 JKED C[C@@H](OC(=O)CCCCC(=O)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919498126 QZJNRQVLPNXDRL-QGZVFWFLSA-N 452.576 5.202 30 20 JKED N#CCOc1ccccc1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 919810980 CGLOCRFNFQFXQO-UHFFFAOYSA-N 451.360 5.292 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 920108617 UQACBJFTQSUUES-HNNXBMFYSA-N 475.369 5.889 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3nc(-c4cccs4)no3)n2)cc1 920138206 BMLZQGFIUYGUNB-INIZCTEOSA-N 450.545 5.129 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 920141795 RGDOOYMVSWZIOO-QHCPKHFHSA-N 463.518 5.168 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)n2)cc1 920141959 JEUZCEZTIYOQML-RTWAWAEBSA-N 482.005 5.493 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)n2)cc1 920142483 KNBBGJUTFZKMMZ-HSALFYBXSA-N 471.607 6.355 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H]2CCc3cc(F)ccc32)C1=O 920170005 IPLJKQBQESPKIZ-LADGPHEKSA-N 489.572 5.482 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 920269428 VHZRXIDVQDMLLY-KRWDZBQOSA-N 451.349 5.176 30 20 JKED C[C@@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)Nc1ccccc1C(F)(F)F 920415247 HNOIPIHBIXRUST-MRXNPFEDSA-N 468.431 5.340 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 920457463 QEQPAFGEXZWKIE-AMHTUMDSSA-N 469.541 5.206 30 20 JKED C[C@@H](OC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C(=O)NC1(C#N)CCCCC1 920911182 CDASBLNAFNKWIE-CQSZACIVSA-N 462.333 5.069 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccco3)n2[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 921249931 MYJFKYMMSHTKHQ-RSJGLCBASA-N 467.620 5.269 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3cccc(Cl)c3)n2)c1 926103023 IQGROFVCWYJOJE-QGZVFWFLSA-N 467.978 5.573 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1786370998 HVBDDUDBTKKMFL-ZQMYSKGWSA-N 452.982 5.169 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@H]3CCCCC3(F)F)cc2)CCC1 1786465990 NLEMLIXRPJZWCQ-TZZQJPOUSA-N 472.557 5.447 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5Cl)CCC4)cc3)cc2n1 1788322096 OZPJPIRFJCQLQI-UHFFFAOYSA-N 484.943 5.723 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4cccc(OC)c4)cc3)CCC2)C1 1788359039 PYWMDNYKUMAHJU-UHFFFAOYSA-N 467.569 5.471 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cn4c(Cl)cccc4n3)cc2)CCC1 1788938286 XVSODGOKAQHNPS-UHFFFAOYSA-N 462.981 5.504 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc4occc4c3)cc2)CCC1 1789049148 HQQZENOCXHJDBV-PKNBQFBNSA-N 470.550 5.681 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]3C)cc2)CCC1 1789213888 LROGREOCVHGPPB-STZQEDGTSA-N 469.626 5.026 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H](C)CCCN4C(=O)OC(C)(C)C)cc3)CCC2)C1 1789217042 IFFBFZIZKKTKFI-XXBNENTESA-N 481.637 5.122 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1789508155 QRGNYFCUYQUAEK-UHFFFAOYSA-N 499.687 6.140 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4c[nH]c5nccc-5c4n3C)cc2)CCC1 1790021320 CCGUZZTUNHBCJY-QFIPXVFZSA-N 481.600 5.522 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnccn5)c4)cc3)CCC2)c1 1790079117 CERNIVAEPVTKNG-UHFFFAOYSA-N 487.563 5.385 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1 1790519750 UQCIAUFFSOCBBV-NRFANRHFSA-N 471.642 5.416 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)c(Cl)c4)CCC3)cc2)ccc1F 1790520394 SSHKAJQIOKHSDC-UHFFFAOYSA-N 497.357 5.390 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790705324 SOTNSMCNNSHXIV-UHFFFAOYSA-N 454.574 5.078 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)c1 1790708043 NSNBASPOSYYULV-UHFFFAOYSA-N 490.563 5.594 30 20 JKED Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)ccc5F)cc4)CCC3)ccc2[nH]1 1790767142 VEHWGYCMFKEJGJ-UHFFFAOYSA-N 466.516 5.549 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5nc(C)ccc5o4)CCC3)cc2)c1 1790795123 ZHTWTFMJFKVHDA-UHFFFAOYSA-N 464.525 5.378 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)CC5)cc3)CCC2)c1 1790886539 JFDNAKXGJPWBJG-UHFFFAOYSA-N 463.537 5.057 30 20 JKED C#CC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccccc3Cl)CCC2)cc1 1791204263 JACHRYZUVQPALY-QFIPXVFZSA-N 496.007 5.063 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4[nH]ncc34)CCC2)cc1 1791249975 FJPXNXBOPMCSFN-OAHLLOKOSA-N 481.394 5.285 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791402833 HXHUELFPBDBEBZ-QFIPXVFZSA-N 495.664 5.370 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791585462 KKOCMSYVTQGZQR-MUUNZHRXSA-N 495.664 5.351 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3csc(C)n3)CCC2)cc1)c1ccc(O)cc1 1791646235 FGMJOXGSZCQECI-OAQYLSRUSA-N 487.625 5.031 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccc(Br)c5[nH]4)CCC3)cc2)CCC1 1792231401 VCVQTFKFNFYCMJ-UHFFFAOYSA-N 491.389 5.372 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)c1 1796462998 QQNVOJWVJJIIDZ-KOUNCHBCSA-N 484.987 5.148 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc2ccccc12)c1ccc(C#Cc2ccccc2)cc1 1797283662 OMXRMTKJLOZZMI-LGKQTMLJSA-N 485.587 5.200 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(c2ccnc3ccc(F)cc23)CC1 1799883691 BZJFXAXDVDTQRG-QDHCZXBTSA-N 491.651 5.888 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(C(F)(F)F)c1 1800398970 RIYISPIEISWHST-WKCHPHFGSA-N 482.594 5.147 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1Cl 1802732298 VSLVWIXJLUZEFT-YLORPAJWSA-N 487.003 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1802733285 CLORDNVKGLMWNE-BKULYWANSA-N 451.998 5.131 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1802958991 ZAGMSPCCOICZDP-WNJJXGMVSA-N 486.660 5.198 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1809673651 SNYXFMYIWLXMMN-XXBNENTESA-N 498.961 5.123 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[C@@H]1c1cccnc1)c1ccccc1 1810446956 ILMMZXYBTBCAKU-UQTFFKDRSA-N 483.656 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1810503432 PLCXFCVTYMZQAL-AYRHNUGRSA-N 479.640 5.659 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(CC(C)C)cc3)[C@@H]2c2cccnc2)c1 1811629965 SDNFVDGQPNVURJ-IAPPQJPRSA-N 480.612 5.094 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1811954828 OLPQOSSFTOPCBL-BVAGGSTKSA-N 487.003 5.363 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)[nH]n1 1814440120 KSFFDQDSGRYMID-FQEVSTJZSA-N 491.558 5.441 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3c(F)cccc3Cl)n[nH]2)c1 1814673117 YUUQZERAISETFI-MWTRTKDXSA-N 493.970 5.378 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)[nH]n1 1814825105 PVTYAKSZFVKLHE-JOCHJYFZSA-N 459.550 5.139 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1815214928 ZINBIXVWCHPXGC-KBXCAEBGSA-N 472.998 5.175 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(C(F)(F)F)coc3C)sc2C1 1817675678 UMBPSGMCRWLOLM-UONOGXRCSA-N 467.513 5.058 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1818800311 HTFXKINJKYSXCK-DVECYGJZSA-N 487.629 5.443 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)[nH]n1 1819306140 XSFHHBLYSRHJTN-WIYYLYMNSA-N 490.633 5.311 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)n[nH]1 1819413278 NTBZZOGRLNTRSR-PVSGBFIBSA-N 464.635 5.282 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3sccc3Cl)[nH]n2)c1Cl 1820220106 LBNUYXMLQCLZDA-INIZCTEOSA-N 474.373 5.269 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)CC1 1821272388 FUPNOPOXWVGKDG-DNVFCKCGSA-N 465.573 5.189 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n[nH]1 1821786269 HNRIEQABTGPWQW-MPHOGZCYSA-N 496.599 5.265 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1821928782 PBHXKODGQXWTMM-SCLBCKFNSA-N 452.452 5.086 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1821986107 PRJZSCLHGZXAFI-OAHLLOKOSA-N 479.940 5.190 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 1822281655 IVPHGGAACDBCLN-FOIQADDNSA-N 491.419 5.032 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccccc3)n[nH]2)c(Cl)c1 1822330942 ZOKIUSVMVLXJSJ-SXWKCWPCSA-N 473.964 5.044 30 20 JKED Cc1cc(F)cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1822497500 GVRZFAOJWFIZHS-UUOWRZLLSA-N 473.552 5.033 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1823676424 YZAAIABVCDPWDE-GAJHUEQPSA-N 499.442 5.563 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)CC2)c(Cl)c1 1823782600 CWVPJSUCSDIUNY-VWLOTQADSA-N 476.020 5.177 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055967 KFLYCJBQSMNBQD-OAQYLSRUSA-N 468.947 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1824143063 HEPHNZLSSNNKNL-OAQYLSRUSA-N 493.570 5.111 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2OC)CC1 1824319602 JQBZXBTYBKWUSE-VWLOTQADSA-N 452.639 5.016 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1)c1ccc(O)cc1 1826283399 FXPIHNQVYFLUFS-BDYUSTAISA-N 464.650 5.089 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827780138 XIHUBBNOQNWDBV-GCJKJVERSA-N 498.590 5.122 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4n3C)CC2)c1 1827997598 PKLGRPVQEQMZGW-IDISGSTGSA-N 482.628 5.352 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)cc2c1 1828119277 ZROBQGATCVVYGY-NDEPHWFRSA-N 482.628 5.214 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1828151412 DDIWVQIQFNOSNR-DEOSSOPVSA-N 489.616 5.388 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1828222005 PJXNICDJTCNVLT-GAJHUEQPSA-N 486.454 5.376 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1828907673 GYAQRGWLXGMVMQ-BYUVYSIJSA-N 485.770 5.136 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576039 DWKYFHKQORCHHU-QFIPXVFZSA-N 474.630 5.233 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1Cl 1829685438 GMHFNKQEBPFQQM-UBFVSLLYSA-N 494.010 5.388 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1829707148 CMOWZEFUNFABEE-RUZDIDTESA-N 481.036 5.728 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1829708273 YOJQOHKAOVZCSN-XMMPIXPASA-N 480.008 5.066 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)ccc1Br 1830687234 ROYZQZJKHLEMPD-DDVUFSRBSA-N 498.465 5.300 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)c1 1830770690 GFMTUPJZAPKTPJ-GDLZYMKVSA-N 492.623 5.476 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978573 RPFIYZPQIRDICR-CJFMBICVSA-N 489.616 5.252 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)ccc2[nH]1 1831035113 VFFSTJDYXUJQMF-HHHXNRCGSA-N 491.752 5.761 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1)C(F)(F)F 1831453884 PXECMNJCJDUTKG-GOSISDBHSA-N 495.523 5.161 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1832028754 ZZWIOOFPJALMOZ-HSZRJFAPSA-N 451.636 5.032 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1832632415 PLRICFCGTVDAPK-WINIVTDRSA-N 486.591 5.481 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4F)CC3)CC2)c1 1832635615 LJVZQAWCICQBSL-ZBLYBZFDSA-N 487.619 5.418 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1832827973 KCCISYMWIRLOFR-FQEVSTJZSA-N 454.920 5.006 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1835816923 HWVYQPIHGJURSF-UHFFFAOYSA-N 494.507 5.479 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3oc4ccccc4c3C)CC2)CC1 1838217542 HLMALJLEUXPMQH-QHCPKHFHSA-N 464.606 5.122 30 20 JKED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)CC2)cc1 1838593552 KBOUKWKGQVCPLU-UHFFFAOYSA-N 493.607 5.151 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C)C1 1841296716 ZVINDNFBLLSRIO-QHCPKHFHSA-N 489.701 5.214 30 20 JKED CCc1cccc(CC)c1-n1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1cccnc1 9965910 WIGILICTZIEFBA-GOSISDBHSA-N 482.613 5.445 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(C)c2C)cc1 10168006 NVPCQENVZQNWRZ-UHFFFAOYSA-O 467.605 6.824 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172578 COMZAFPYELWPEY-UHFFFAOYSA-O 462.683 6.501 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173384 TWLPMHGEFYVDGK-UHFFFAOYSA-O 467.614 5.933 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(F)cc2)cc1 10828509 ZNBPFMRODUMNCP-UHFFFAOYSA-O 458.376 5.489 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1ccc2c(c1)CCC2 10837027 DFPNUJOIAFIEKN-UHFFFAOYSA-O 458.390 5.526 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(F)cc2F)cc1 11249176 XWGYELAJXHNSFJ-UHFFFAOYSA-O 467.605 6.824 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 11558706 YFXUNVXMYKEWRP-JOCHJYFZSA-N 496.514 5.818 30 20 JKED CC(C)n1c(SC[C@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccc(Cl)cc1Cl 15244632 PAZSLWWCTSPQEM-QGZVFWFLSA-N 477.417 5.431 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1 20067744 UIYOCOFZWKSIJK-UHFFFAOYSA-N 489.626 5.347 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 22730133 DVXQHEWFVFIOCE-UHFFFAOYSA-O 467.614 6.688 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccncc1 23338908 LZEVUMZOULMTEN-FRQRHGNXSA-N 474.634 5.049 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)cc1 26494610 ZPLCOEDATPTTQB-FQEVSTJZSA-N 477.634 5.627 30 20 JKED COc1cc([C@H](C#N)NC(=O)/C=C\c2cc(C)n(C3CCCCC3)c2C)cc(OC)c1OC 207523064 YIHLULSCSUIAQB-GJCOWUBNSA-N 451.567 5.030 30 20 JKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1-c1ccccn1 303196352 NITCEZWIEMXZIG-UHFFFAOYSA-N 457.921 5.186 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(-c2ccccc2)cs1 303311093 OWRQXVLQUVUNMX-LJQANCHMSA-N 468.582 6.338 30 20 JKED CCCCN(C)CC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 481578329 YNNBAKHCMQGBAS-UHFFFAOYSA-N 452.574 5.252 30 20 JKED N#Cc1cc(F)ccc1CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 483127721 CZDQSKYBXJPRDA-UHFFFAOYSA-N 473.524 5.158 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3cnn(-c4ccccc4)c3)s2)c(C(F)(F)F)c1 487291399 QQRWLRXEZQIJSY-UHFFFAOYSA-N 481.503 5.381 30 20 JKED COc1cc(C(=O)N(CC#N)c2ccccc2)ccc1OCc1ccc(Br)s1 495502342 JBIRJFQBQOQYEE-UHFFFAOYSA-N 457.349 5.269 30 20 JKED C[C@H](Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 498053649 RPMZGOIQVQURKO-INIZCTEOSA-N 473.664 5.041 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 501148947 NUKMKYFIKFJYSG-UHFFFAOYSA-N 461.562 5.219 30 20 JKED Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCC(C(=O)Nc6cccc(C#N)c6)CC5)(C4)C2)C3)cc1 501693758 DYGQTYZTLFWRKX-QCONXSNSSA-N 481.640 5.582 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 508266030 LEYXITVESWOFRN-HXUWFJFHSA-N 470.529 5.242 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CCC2 509715992 PRXWCPULTBLCNU-KNGGAZFVSA-N 499.611 5.759 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 510646053 NAEPEGZSJZOQMN-UHFFFAOYSA-N 482.496 5.526 30 20 JKED C=CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc(-c2ccccc2)cs1 516463396 NRYYQOCTPHLVFT-UHFFFAOYSA-N 465.376 5.591 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccc(OC)cc4)c(C)s3)n2)cc1 516713782 JGMNKTJRMQQJPG-NRFANRHFSA-N 460.580 6.354 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N(Cc3ccccc3)CC3CCC3)c2)cc1 516739163 HNSMUDQTFGDBOV-UHFFFAOYSA-N 467.569 5.099 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4c(F)cccc4Cl)CC3)cc2)c1 517530245 MHDFQKDSYCGWJJ-UHFFFAOYSA-N 478.911 5.133 30 20 JKED Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)nnn1-c1ccc(OC(F)F)cc1 518173566 GXLDUIJXKMYSJS-UHFFFAOYSA-N 461.428 5.093 30 20 JKED C=CCCO[C@@H](C)C(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 520685311 DTKHBMHJVUZVGB-YJBOKZPZSA-N 454.514 5.322 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 520836909 CZNNRHIKSMULEH-GOSISDBHSA-N 450.482 5.521 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC(c2ccccc2)CC1 520847004 SKCFILQZRYUREZ-UHFFFAOYSA-N 461.509 5.056 30 20 JKED Cc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1cccc(C(F)(F)F)c1 524572567 GREBJEWDZBSQMZ-KRWDZBQOSA-N 453.251 5.501 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 549801982 POGOQPHXIADYCV-IBGZPJMESA-N 481.986 5.265 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3c[nH]nc3-c3ccc(F)cc3)s2)c(C(F)(F)F)c1 574698202 YQMFCKIBICMGNP-UHFFFAOYSA-N 471.439 5.406 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 593021595 JIMZYPVBQYWSLP-PJIJBLCYSA-N 481.383 6.111 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)Nc1sc2c(c1C#N)CCC2 597566063 ZXKBCHUXAJGITC-HNNXBMFYSA-N 475.599 5.128 30 20 JKED COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CC2 604089566 FCDUKNOZWRTGHS-UHFFFAOYSA-N 463.921 5.611 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 604317360 METSCAPLXSMEFT-UHFFFAOYSA-N 453.340 5.179 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)cn2)cc1 608784933 HCNWTJDSCXJPCX-UHFFFAOYSA-N 473.920 5.952 30 20 JKED C=CCN(C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 608870134 STMSFOYKNCIBSJ-UHFFFAOYSA-N 480.546 5.738 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2nc3nc(-c4ccccc4)cc(C(F)(F)F)c3s2)cc1 608928779 DJNZMLPBRZAUKW-UHFFFAOYSA-N 460.462 5.050 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C 609079360 ZBBMQBVLJZMFAL-UHFFFAOYSA-N 493.611 6.221 30 20 JKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087350 JQWJCBRARWHNSR-INIZCTEOSA-N 482.367 5.602 30 20 JKED N#C[C@@H](NC(=O)c1ccc(Br)cc1Cl)c1ccc(OCc2ccccc2)cc1 609172758 BFQXRLPQYPSBGA-OAQYLSRUSA-N 455.739 5.676 30 20 JKED CC1(C)CN(C2(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CCCCC2)CCO1 609422392 POXFLMNFGYEMAR-UHFFFAOYSA-N 490.648 5.267 30 20 JKED CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N 609429093 DHIJGSMVUAMTDF-ZDUSSCGKSA-N 455.399 5.043 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 609434632 DPHNMZHYBSEZMK-QFIPXVFZSA-N 470.642 6.020 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OCC)c1OCC 612894710 JXGZVUOAUMUKRH-GOSISDBHSA-N 470.978 6.150 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)cc1 613403880 HTRKGZGWVZCQII-CQSZACIVSA-N 459.474 5.937 30 20 JKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518244 YYTVGRYNUYHWRE-ROUUACIJSA-N 499.373 6.360 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)cc(C)cc2C)cn1 726110673 HMCNDCNKVHGTSO-HSZRJFAPSA-N 493.608 5.128 30 20 JKED CCCOc1ccccc1Oc1ncccc1CNC(=S)Nc1ccc(C#N)c(Cl)c1 726467761 KPHWRIHLWUZJCA-UHFFFAOYSA-N 452.967 5.674 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)[n+]2cccc(CO)c2)c1 726572444 FQWFQZFMKJKHNE-UHFFFAOYSA-O 457.600 5.294 30 20 JKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1I 727778150 ZSUFEJRMQMWMKL-UHFFFAOYSA-N 456.209 5.089 30 20 JKED N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 727952425 HOEJKMLRNNQWKS-HXUWFJFHSA-N 461.587 5.406 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 727996328 JBKMJMFFHIUQSI-UHFFFAOYSA-N 470.532 6.308 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(I)c2)cc1 728147564 IXEQKNHOJYGFMD-UGSOOPFHSA-N 460.315 5.074 30 20 JKED C=CCN(C(=O)c1ccc(SC(F)(F)F)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 728189395 JUKRNODNDNISTG-UHFFFAOYSA-N 498.573 5.658 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 728422381 APRKEPGIQGSKRP-YADARESESA-N 483.597 5.292 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)cc1 728779278 XSEKYDDWNPNYMY-OAQYLSRUSA-N 485.009 5.393 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729144184 CFOFIINAINQNGN-FPOVZHCZSA-N 459.974 5.088 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 729726543 HOMQOFCSTXWQFK-UHFFFAOYSA-N 499.375 5.636 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 729888244 JHXPGAMOGMIYRB-GFCCVEGCSA-N 453.734 5.831 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1)c1ccccc1 729888330 KAWKMZHKNCQWHI-NRFANRHFSA-N 466.324 5.231 30 20 JKED CCN(CC)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NC2CCN(CC#N)CC2)cc1 730504748 YJRRLGBXMJJHQW-LNVKXUELSA-N 493.655 5.286 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cc(Cl)c2c(c1)OCCCO2 730585119 PMRGAJWAVYNMCR-UHFFFAOYSA-N 485.780 5.150 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1cccc3ccccc13)O[C@@H](C)C2 730688359 VBKILRVRQYJHQI-NQCBNZPSSA-N 454.526 5.013 30 20 JKED CC(C)(C)n1cc(C=Nn2c(S)nnc2-c2ccccc2F)c(-c2ccccc2Cl)n1 731150408 DBSOXIUPLXUKKD-UHFFFAOYSA-N 454.962 5.527 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1Cl 746415380 AQYNRNQCCRDELH-KRWDZBQOSA-N 453.951 5.359 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccc1S(=O)(=O)C(F)F 747065960 GGAMIUYLYZZYAA-QPJJXVBHSA-N 497.859 5.409 30 20 JKED CC[C@@H](C)n1c(-c2ccccc2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 749890337 ZOQNJZAPDYOCTI-QGZVFWFLSA-N 459.541 5.946 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 763079156 GQOLLZCPGMAAHQ-UHFFFAOYSA-N 458.301 5.061 30 20 JKED CCc1nc2ccccc2n1N=Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 767374859 WCIOLZRXCMNYCY-UHFFFAOYSA-N 462.937 5.160 30 20 JKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C\c4ccc(OCC#N)c(OC)c4)nc(=O)c3s2)cc1 797249017 QJQCBBVOFUUBNG-GZTJUZNOSA-N 479.945 5.308 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Br)c1 799224346 SCIUZEUNPRMTGO-SFHVURJKSA-N 460.397 5.046 30 20 JKED CC(=O)N(c1nc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cs1)c1ccc(F)cc1F 818245874 SZFSGBYLHHLBRA-BTMZFSHUSA-N 481.480 5.844 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 837887855 OHXSAQFSYXUINW-QVKFZJNVSA-N 482.968 5.596 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)cc1 837951448 XUKLCMBMNISDQX-CPJSRVTESA-N 486.641 5.982 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 838073391 BXDCLKLZBFWVCI-QRQCRPRQSA-N 496.539 5.090 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1ccccn1 838191977 PPWJUABNAJZRCO-HXOBKFHXSA-N 476.577 5.505 30 20 JKED O=C(COC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(F)cccc1F 843419848 BUPFHMPBOZORCC-SNAWJCMRSA-N 453.285 5.198 30 20 JKED C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 854836374 SHZTZXLLAFLBJY-BYPYZUCNSA-N 490.763 5.216 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2ccc(C(F)(F)F)s2)no1 904976906 XRNBKOSRQUSROT-UHFFFAOYSA-N 474.258 5.429 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2ccccc2s1 915098250 NOQYNYHKPNYJKO-LSDHHAIUSA-N 458.370 5.332 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915102030 PVHVOFYAAQQHOY-SFHVURJKSA-N 490.938 5.970 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)n2)cc1 915102312 WGGKRYMLLYXHRZ-QFIPXVFZSA-N 493.654 5.013 30 20 JKED Cc1oc(-c2cccs2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102830 INZKUJMVPZMEFR-AWEZNQCLSA-N 474.394 6.561 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc(Cl)cc2Br)CC1 915134536 PJFHKYNDQZXIFW-UHFFFAOYSA-N 476.714 5.044 30 20 JKED C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccccc1Br 915513837 PUATVQWQHJMTJL-INIZCTEOSA-N 479.330 5.084 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1c(C)cccc1C 916217168 GXXQNKKIPXZXJK-GOSISDBHSA-N 463.525 5.693 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916217238 IQSPHJMCBNNUEV-IBGZPJMESA-N 494.400 5.157 30 20 JKED O=C(Nc1cccc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)c1)c1ccccc1Cl 916288552 KKWCFZZMUPVIJE-UHFFFAOYSA-N 462.962 5.125 30 20 JKED COc1cc2c(cc1C=Nn1c(C)nc3scc(-c4ccc(Cl)cc4)c3c1=O)O[C@@H](C)C2 916541195 JXQUUTDUUJLJMC-ZDUSSCGKSA-N 465.962 5.301 30 20 JKED CCc1cccc(CC)c1-n1c(SCC(=O)[C@@H](C#N)c2ccccc2)nnc1-c1cccnc1 916622820 MYGREXJHVDJUQF-QHCPKHFHSA-N 467.598 5.423 30 20 JKED CC(C)(C)c1nc(CN2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cs1 916681202 RCZWHUMOSYUXDP-DEOSSOPVSA-N 473.646 5.446 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916845942 YWOYILJUFMOHJY-GPAKFWEMSA-N 477.895 5.838 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 916949045 LCFGVWOZTRKILB-CLOONOSVSA-N 482.609 6.101 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 916977168 LQRDESMOXNUZJL-HXUWFJFHSA-N 464.978 5.584 30 20 JKED Cc1cc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)CC2=O)ccc1Br 917027011 SZLPOOGRPINYCV-FUHWJXTLSA-N 480.387 5.110 30 20 JKED C=CCn1c(SCC[S@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1 917185140 TZSCROKICDAEQT-NDEPHWFRSA-N 456.395 5.477 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2ccn(-c3ccccc3)n2)c1=S 917480740 LDNJYHXENQRENB-UHFFFAOYSA-N 450.999 5.196 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1 917505052 JEAVMZKYFUDFEW-GOSISDBHSA-N 481.599 5.071 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2nc(Cl)c(Cl)cc2Cl)cs1 917539067 XKSUVYBMOGSYRI-UHFFFAOYSA-N 458.733 5.768 30 20 JKED CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)CC2 917560770 YVFFYWNPFCBSGO-RVDMUPIBSA-N 484.961 5.772 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)cc2Cl)cc1 917613641 PBKKCTRMGBPBBL-UHFFFAOYSA-O 469.417 6.428 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2cc(Br)cs2)n1 918486699 FCHIVEHJPJSUCJ-SNVBAGLBSA-N 466.769 5.249 30 20 JKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 920105811 FMZXSHJHXJFLLR-OAHLLOKOSA-N 488.432 5.397 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1C 920198007 LSLIMKGTMBQQKQ-SANMLTNESA-N 491.595 5.050 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 920356729 UPUAKNJFFQVBQC-FQEVSTJZSA-N 486.956 5.244 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2C#N)no1 920359657 PUTCLVRRBGAHAO-XMMPIXPASA-N 495.564 5.168 30 20 JKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)N1CCC[C@@H]1c1cccs1 920636347 WDDAJMQRMHDDMW-FDDCHVKYSA-N 460.555 5.108 30 20 JKED N#C[C@H](C(=O)CCCOc1cccc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 920807207 ZXKWXCBHAJEHKP-OAHLLOKOSA-N 477.330 5.886 30 20 JKED COc1ccc(O)c(C=Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1 920945930 KWKSGTVMYZUENM-UHFFFAOYSA-N 451.331 5.259 30 20 JKED CSc1nc(O)c(C(=O)N(C)Cc2ccccc2Oc2ccc(F)c(Cl)c2)cc1C#N 1596710742 AFXVKGIUSJQGSP-UHFFFAOYSA-N 457.914 5.238 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn(C(C)C)cc2C(F)(F)F)C1 1778196497 KPMIAAJYXLJPMY-PXDATVDWSA-N 497.602 5.208 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ccccc4c3Br)C2)C1 1782443807 NSBUMSRKLLSFDB-AREMUKBSSA-N 499.449 5.038 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5Cl)[nH]n4)CCC3)cc2)C1 1785808160 UZZBQNYOAMWXKK-UHFFFAOYSA-N 460.965 5.444 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1786367238 GOUBCSVLGWFVSX-UHFFFAOYSA-N 492.513 5.504 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=C(C)CC3)CCC2)cc1 1786546269 NGWDUGLHSOBSGO-REWPJTCUSA-N 481.637 5.336 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c(C(F)(F)F)o1 1788618613 LGIAXDYEQLYSLS-HNNXBMFYSA-N 496.489 5.690 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)COC5)cc3)CCC2)c(Cl)c1 1789035400 OMDUOEOZVKGTDU-UHFFFAOYSA-N 471.944 5.303 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1 1789514480 VUACDNAWWYUGPX-PCLIKHOPSA-N 466.632 5.182 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1)c1ccccc1 1789600144 CICRDQZMEWHFLU-PLUOQXPISA-N 467.569 5.030 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)ccnc4Cl)CCC3)cc2)c1Cl 1790081970 UVAMDZIROGKPNN-UHFFFAOYSA-N 483.330 5.461 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)CCC1 1790329509 ORVJPOFHKAWFOM-CMDGGOBGSA-N 466.509 5.213 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C(C)C)nn4ccccc34)CCC2)cc1 1790564649 JUHZBIXYARFQPF-IBGZPJMESA-N 475.593 5.006 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790948036 SEWTXEIFZPYWQZ-UHFFFAOYSA-N 466.541 5.725 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CCC2)cc1 1791579904 QBOJRTAOYFQVLJ-VOBQZIQPSA-N 473.436 5.005 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)CCC2)cc1 1792268623 UDUCBCROSKSKPX-UHFFFAOYSA-N 489.616 5.215 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ncccc45)cc3)CCC2)c1 1792290472 YGRGFIHTRMOFQC-UHFFFAOYSA-N 491.595 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(F)c(F)c1 1796503862 SSGSPENJVHDWQP-PLACYPQZSA-N 465.544 5.047 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(C(F)(F)F)c1)C2 1798340027 KQPXJJJQHSRHAI-XMTFNYHQSA-N 499.371 5.488 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cc1 1798417387 CDTWSMFRTJCMLZ-QEIWAGNOSA-N 487.720 5.360 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3sc(C)nc3c1)C2)c1ccccc1 1798554622 RDLGKIVMKVQDES-KIHHCIJBSA-N 471.626 5.054 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c1 1799603983 CWEFPHZSLRGLCP-BJWYYQGGSA-N 462.764 5.084 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)[C@@H]2c2cccnc2)C1 1802416937 SHSVGYXHUWAHAD-HRAATJIYSA-N 477.914 5.040 30 20 JKED Cc1ccc(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(C#N)c3)C4)CCCCC2)cc1 1802620408 GTDDOMJLVXVDTD-OOSCYNTBSA-N 455.602 5.021 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1802632076 UTOOZNHWHNUYOU-IIZPIQPGSA-N 466.025 5.073 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803223320 APOJOGIPDOEQFA-XGAJZPNHSA-N 488.097 5.135 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CCCc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1803491479 CNYSTIXFINDZGE-YIXXDRMTSA-N 499.577 5.323 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCCc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1803493150 RSEATGYCXCFGHI-KIVTUJJHSA-N 487.566 5.341 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc([N+](=O)[O-])ccc4s2)C3)c1 1803683423 DADOSOIYIWOWGP-HUJKARHJSA-N 488.569 5.002 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1805677768 GGMXPRIYVBSWLH-UFHPHHKVSA-N 498.627 5.105 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1806454161 OLFVDZNYLLMGSL-FQZUIQCPSA-N 494.639 5.297 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c(Cl)c1 1807968334 MEPFTARSROPRKZ-AVRDEDQJSA-N 490.972 5.048 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 1808973908 GGUWLPVMTOUWEH-YZNIXAGQSA-N 488.591 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@@H]1c1cccnc1 1809201292 AHGHAESHFMJMSW-UUOWRZLLSA-N 480.559 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1809474189 VGWOQLVHMCIGKA-ZJSXRUAMSA-N 480.052 5.465 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@@H]1c1cccnc1 1809687869 GYRMQYDPAMZSJO-XAEMIUIASA-N 484.522 5.114 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1810181205 FGMQOFQGIKMXBC-VVZHRXSXSA-N 489.019 5.371 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1810273888 ZWETVHZAGLDZEN-GGXMVOPNSA-N 489.736 5.080 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[C@H]1c1cccnc1 1811298113 MTVJCBNXNQNDJE-WQHXYCOISA-N 493.611 5.157 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3c(Cl)c2OC)[C@H]1c1cccnc1 1811438555 NRKSCRACSNNPKA-NXQMDHLFSA-N 492.019 5.429 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1812197803 NHYVDFGLQUBAJG-CVDCTZTESA-N 477.630 5.314 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812515083 YBGIAFPTFBDHAL-XSBVVTFOSA-N 480.052 5.374 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812671279 CBZOAHMIGJGFJD-DENIHFKCSA-N 487.978 5.074 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c1 1813868861 SJRUFCWNZOZIKZ-JTOILGAVSA-N 478.596 5.219 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1813941862 YYFGEFLAUJYFRI-VGOFRKELSA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)[nH]n1 1814828512 NNHUGOKWOYHVHB-HSZRJFAPSA-N 493.011 5.323 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1815206947 HGGZZEAOBJWJIT-DEOSSOPVSA-N 487.604 5.069 30 20 JKED C=CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccnc3-c3ccc4ccccc4c3)sc2C1 1816061412 XIVYNIOCFKEWOH-FQEVSTJZSA-N 468.582 5.160 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1)c1ccc(O)cc1 1816695274 VXYCJOGERAAPJN-RCZVLFRGSA-N 476.621 5.275 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(OC)ccc3o2)n[nH]1 1819002958 XTJPAKKXGWTLOY-TZIWHRDSSA-N 462.550 5.239 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)[nH]n1 1819385629 YNEVVGMPPHRNOI-CVDCTZTESA-N 496.650 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)[nH]n1 1819552907 JRXQRLPJHZFYIX-XDGVHFHYSA-N 452.521 5.127 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820316543 KRAIBKDUUCTDPA-URXFXBBRSA-N 487.579 5.685 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3Cl)n[nH]2)c1Cl 1820426908 MZHCFHZDEAXQHU-LJQANCHMSA-N 468.344 5.208 30 20 JKED COc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCCCC(C)(C)C)[nH]n2)c(C#N)c1 1820837727 SSOOXJPKJLRHBU-DEOSSOPVSA-N 493.652 5.521 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4cccnc4)cc3)n[nH]2)cc1 1821008479 JSPUWTDFPRSZID-AREMUKBSSA-N 490.567 5.157 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c[nH]1 1821279044 YSLWSKFUOOHGMG-HXUWFJFHSA-N 478.984 5.180 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)[nH]n1 1821923544 YYZWENSJJLZUDW-KBMIEXCESA-N 494.599 5.538 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1)NC(=O)OC(C)(C)C 1823347275 XXFJYUANLXPDRQ-NJVGLYJLSA-N 499.656 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c(F)ccc(F)c2F)CC1 1824791795 CUGDZYVNRNENBR-HSZRJFAPSA-N 462.556 5.035 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824810790 SSSRGKGLHNDXEG-VWLOTQADSA-N 482.665 5.025 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1824961080 TZXOGXXWNFQLON-FQEVSTJZSA-N 455.451 5.146 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)nc1C 1825620609 KBQKUDBIPWMUNG-XMMPIXPASA-N 498.549 5.136 30 20 JKED O=C(c1cc2cc[nH]c2cc1Cl)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826525340 XIICRGREQJTYDB-AREMUKBSSA-N 474.004 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)CC1 1827850979 SMIVZCIEYKLWCF-QFIPXVFZSA-N 463.544 5.102 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1)c1ccc(O)cc1 1827985782 CSZLIQGMZBDQIP-JTHBVZDNSA-N 483.008 5.069 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cccnc3n2)CC1)c1ccccc1 1828531608 NANKUXGDMFIPSR-IAPPQJPRSA-N 494.639 5.060 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c(Cl)c1 1828673785 RMERGJXXHUYTTC-QHCPKHFHSA-N 493.032 5.368 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C)c3ncccc23)CC1)c1ccccc1 1828750207 RASYENSSDIVGEJ-LSYYVWMOSA-N 496.655 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1829068094 DQZVGWOYUDRCQG-JOCHJYFZSA-N 491.717 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cc(F)c2F)CC1 1829070488 KVQBYEYINKNTOG-OAQYLSRUSA-N 450.545 5.330 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)CC1 1829280776 QUOSAEKFGGARHB-IFMALSPDSA-N 467.635 5.405 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(Cl)s2)CC1)c1ccccc1 1829401888 MTXNJJASFWGKDU-FGZHOGPDSA-N 484.065 5.227 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622686 SBUGIWRUCNDKDS-SANMLTNESA-N 467.613 5.253 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1830632216 FDJIWANPMLFADU-LJAQVGFWSA-N 498.671 5.290 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1830718140 BGFGHOKWQFFNIL-VWLOTQADSA-N 492.982 5.379 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC[C@@H]3CNc4ccccc4C3)CC2)c1 1830768485 XJBQBXNRFDFUQO-IADCTJSHSA-N 498.671 5.165 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1 1830784790 VNMWTIINVIDDTF-OAQYLSRUSA-N 462.421 5.229 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c1Cl 1830990838 LWUPBFUVYQWRIV-HSZRJFAPSA-N 475.976 5.505 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686037 KXMFWYVRIDTUQM-KYBPXCETSA-N 473.455 5.294 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1831842602 PKGLRKJSKVIOKI-BLLLJJGKSA-N 480.955 5.050 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)CC2)c1 1831980217 IFQXASGJUVZCMO-MHWRTBLVSA-N 469.629 5.277 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3nccc4occc34)CC2)c1 1832631131 REPJVWGSSPYQLE-CYFREDJKSA-N 470.573 5.002 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832690989 UMDZGGDQRVQRMM-QFIPXVFZSA-N 489.925 5.176 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)CCC1 1832784516 WBJGSGPPIUDELT-LJQANCHMSA-N 470.038 5.482 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832995903 BQQKFCRNTZDNMJ-QDPGVEIFSA-N 476.661 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)CC1 1838423962 XTSYOACZLCRIEN-UHFFFAOYSA-N 498.067 5.493 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)CC1 1838424093 KMHUXZAKBLYKKB-UHFFFAOYSA-N 482.665 5.080 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1838691356 ADKTVQWZAZWYFC-UHFFFAOYSA-N 489.390 5.125 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1841627319 VMYYTKVZAJKCGJ-VWLOTQADSA-N 474.626 5.404 30 20 JKED C=C(C(=O)N1CCCC12CN(C(=O)c1c(Br)cccc1-c1ccccc1)C2)C(F)(F)F 1846015061 DRRIHJYKPMCOBL-UHFFFAOYSA-N 493.323 5.052 30 20 JKED C#CCCCCC(=O)N1CCCC12CN(C(=O)c1cccc(OCc3nc(C(C)(C)C)cs3)c1)C2 1846489538 IXTMCXDEGMDEGX-UHFFFAOYSA-N 493.673 5.030 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc([C@H](F)c4cccc(F)c4)c2)C3)c1 1846829581 APMLQKSWVBBULJ-DCFHFQCYSA-N 499.561 5.642 30 20 JKED O=C(c1ccc(C2CCCCC2)c(C(F)(F)F)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)(F)C(F)F 1848000001 NVDJORJVNZTEMN-ROUUACIJSA-N 494.451 5.469 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 9847932 LULQPUZYHPQMOC-UHFFFAOYSA-N 480.348 5.095 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccccc2CC)c1C 10831503 NKYAGGFQVNAGHF-UHFFFAOYSA-O 485.029 5.362 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1cccc(Br)c1 11084677 YSVQSXWHWVAQLI-UHFFFAOYSA-O 480.860 6.065 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(CC)cc2)c1C 11259146 BZGRVDLJNHCHBK-UHFFFAOYSA-O 499.056 5.671 30 20 JKED CCCOc1c(Cl)cc(C(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)cc1OCC 14596637 JNEKIAXIPRPTPS-UHFFFAOYSA-N 450.944 5.198 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1Cl 15003869 ZFNDPBDXBDBTCS-UHFFFAOYSA-N 480.895 5.391 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)nn(C)c2C)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 19297740 APTUCCHTVAIASM-GOSISDBHSA-N 498.722 5.425 30 20 JKED CCOc1ccc(-n2c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2cccc(Cl)c2)cc1 21124603 KLYRAKIWLYPORZ-DEOSSOPVSA-N 484.025 5.133 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCc2cc(C)no2)ccc1Cl 21740812 PRMHVOBYZOHUJL-UHFFFAOYSA-N 481.357 5.028 30 20 JKED CCn1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1cc(-c2ccccc2)nc2ccccc12 22565920 VTOKVOZHVCMOSR-WHLCRQNOSA-N 498.656 5.715 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731356 IKHTVUZXBMSWGQ-UHFFFAOYSA-O 481.641 6.323 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 24379999 ZVJXLBCFWFZEGU-AREMUKBSSA-N 469.516 5.174 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2C)c1 28628821 QWVLWRWSTQBONX-UHFFFAOYSA-N 488.638 5.318 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 36760840 JFGNPVOPXZYZEE-QHCPKHFHSA-N 466.541 5.123 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1ccccc1 105329608 FCBWWRFNKFDSRU-UHFFFAOYSA-N 451.983 5.132 30 20 JKED COc1ccc2c(C)c(CCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c(=O)oc2c1 108011791 IWSHLBYFDXWHTE-UHFFFAOYSA-N 484.527 5.282 30 20 JKED N#CCCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2 209635246 IKCKWKRASRFVIT-VBKFSLOCSA-N 480.351 5.215 30 20 JKED COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC)c(OCc3ccccc3)c2)cc1OC 254501422 SYIBPQAXISVJCS-UHFFFAOYSA-N 476.558 5.095 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 409832347 JQTPQEUAAPKCFZ-UHFFFAOYSA-N 477.336 5.425 30 20 JKED CC(C)[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)S(=O)(=O)C1CCCCC1 482812993 OMNHASDGNSOGMA-ISKFKSNPSA-N 473.038 5.706 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1csc(NC(=O)c2cccs2)n1 501146040 DNSIPVZBJJANKH-UHFFFAOYSA-N 490.585 5.552 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1 503456542 BHARXNPKQNGRJE-QFIPXVFZSA-N 489.597 5.175 30 20 JKED CC(C)(C)OC(=O)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccccc1 503557098 UPCWKYRLFCGITK-IBGZPJMESA-N 470.554 5.441 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 508290944 UFHGMRBXJMVMHN-UHFFFAOYSA-N 472.520 5.681 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)c2C#N)C1 508777257 HLUDPGGNLBNJPP-LBPRGKRZSA-N 474.512 5.018 30 20 JKED COCCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 510665752 MALHTZQFMWLIMY-GOSISDBHSA-N 461.518 5.267 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2)cs1 518516785 YJMBXJXMONSBEB-OAQYLSRUSA-N 456.552 5.516 30 20 JKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3S[C@H](C)CC#N)[C@H](c3ccco3)C2)cc1 518758952 PFKULZPRMMKXJD-XXBNENTESA-N 458.587 5.772 30 20 JKED COc1ccc(Sc2ccc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)cc2Cl)cc1 519021790 YGWFNJIKOFJLBH-UHFFFAOYSA-N 467.978 5.660 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 520144399 FFVGNHRNMVVDNE-VWLOTQADSA-N 484.556 5.614 30 20 JKED N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc(Cl)c1Cl 520889956 YFWXPUSCFWJTGO-LJQANCHMSA-N 494.787 5.442 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 521813121 WLKFNNOBJCZCOA-CABCVRRESA-N 482.606 5.468 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)cc2F)c1 524459634 NGPQINBFASCYON-UHFFFAOYSA-N 452.869 5.343 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)NC(C)=O 524516466 PWCQEERHSLRPNZ-HSZRJFAPSA-N 477.948 5.609 30 20 JKED CCCS(=O)(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C 552615898 CYVJBFCRDFQOCB-UHFFFAOYSA-N 494.592 5.392 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(OCc2cccnc2)cc1 603831665 ZWICEVCKQWZCBG-QFIPXVFZSA-N 492.579 6.188 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)cc1 604288766 PQQAJINFFKQQQF-ROUUACIJSA-N 485.428 5.926 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 604443800 NSEHGMGOVQAQMY-OAHLLOKOSA-N 451.866 5.627 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1C 604450592 HEVXQUDUFXLJEY-IBGZPJMESA-N 470.552 5.205 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3n[nH]c(-c4ccccc4)c3Br)cn2)cc1 604450757 XYDAWJRBWFAUGQ-UHFFFAOYSA-N 460.291 5.150 30 20 JKED CCOc1c(Br)cc(Cl)cc1NC(=O)N(CCOC)Cc1ccc(C#N)cc1 604499834 MVBQRQXIJNUURL-UHFFFAOYSA-N 466.763 5.053 30 20 JKED COC(=O)c1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609080683 RYGNFDHWEBGAKM-UHFFFAOYSA-N 463.921 5.241 30 20 JKED COc1cc(OC)c2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c1OC 609164427 NZNREWPDIOMMDJ-IBGZPJMESA-N 475.932 5.755 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 609370819 ZYBAKRGDPFVNIL-CQSZACIVSA-N 455.634 5.324 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cc1 613406951 BSVIGLXTAKZQJL-FQEVSTJZSA-N 480.998 5.722 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)nnc1-c1ccccc1 613808754 FXPGGSAMTSSQNK-VWLOTQADSA-N 466.610 5.398 30 20 JKED O=C(N[C@@H](COc1ccccc1F)c1ccccc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618556408 PZEFZOQRCMCSNC-JZXOWHBKSA-N 478.408 5.718 30 20 JKED Cc1c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)nnn1-c1ccc(OC(F)F)cc1 622485170 GJVKFFMEASQMNC-INIZCTEOSA-N 494.342 5.229 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nnc1[C@H]1COc2ccccc2O1 639395102 WYJAESLLBJOFOE-DNQXCXABSA-N 490.629 5.221 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1 641959283 BRBFBZMVKXDLNT-UHFFFAOYSA-N 480.943 5.554 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 726396232 DDPZPLNIVMWPCK-IFXJQAMLSA-N 497.514 5.230 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 726413670 UZVNDDQLUARSHK-DEOSSOPVSA-N 486.597 5.050 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@@H](C)c3ccccn3)C2=O)c1 726422309 VFEUOCSTYDXKMR-AJFFZHMISA-N 494.642 5.303 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)n2ccc(=[N+](C)C)cc2)c1 726572568 BWXRCYYVSWOBEE-UHFFFAOYSA-O 492.624 5.617 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3cc(Cl)c4c(c3)OCCCO4)SC2=S)cc1Cl 726626190 APDSOGQQQYTSTP-CAOOACKPSA-N 463.367 5.432 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 727233627 TVXWTRFWVDFXLX-JQWIXIFHSA-N 458.383 5.978 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1 727655578 YLZMGCXNMDLNAG-RAXLEYEMSA-N 477.586 6.603 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccsc2)cc1 728423877 XJMNBSCZKUCRCC-JOCHJYFZSA-N 490.610 5.179 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2sccc2C)c1 728424024 RURAOXNNSPRVCB-OAQYLSRUSA-N 490.610 5.097 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 728777120 IUXDUDSATJCMRZ-HSZRJFAPSA-N 474.561 5.633 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCCC#N)c1 728778837 GBRGWVKMBRCVSP-OAQYLSRUSA-N 498.530 5.341 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)cc1 729144113 BNGXDOVPHLAVQP-NRFANRHFSA-N 494.642 5.237 30 20 JKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc21 729410004 GPAQKEMDDXFSSU-UHFFFAOYSA-N 453.542 6.165 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1OC 729427258 ICAJVCZZAFOESN-GOSISDBHSA-N 467.865 5.052 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729889646 RVCFPZXZCYAXSD-AWEZNQCLSA-N 479.816 6.947 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(F)c1 730535285 MLDSASMETDJSLU-GOSISDBHSA-N 467.488 5.523 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)cc1 730687232 MKVVTBJPTFANDY-UTKZUKDTSA-N 458.537 5.283 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 730714807 XIRPOOUMZWLOKH-YLJYHZDGSA-N 479.631 5.185 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(F)c2)c(C)s1 730719029 VHFWYCGFFBIBDE-MGPUTAFESA-N 497.621 5.324 30 20 JKED Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(Br)c1 731066968 KIKIUUKMBDYEEE-SCOAYWHSSA-N 473.392 5.204 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731304759 AOJIAHCIGRACDD-LJQANCHMSA-N 486.018 5.576 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2cc(C)ccc2F)cc1 744115172 FQEZMPXDABWMER-UHFFFAOYSA-O 452.575 5.302 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)cc2)n(C[C@@H]2CCCO2)c1=S 746055698 BNTHXOUMZXZXNJ-DEOSSOPVSA-N 479.625 5.387 30 20 JKED Cn1c(-c2ccccc2)c(C=Nn2cnc3ccc(Br)cc3c2=O)c2ccccc21 767312784 ATKWOOGETYKQAL-UHFFFAOYSA-N 457.331 5.200 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(CC(F)(F)F)C1=O 799212000 UPZHJRPOTJUPRC-IBGZPJMESA-N 493.551 5.615 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(CC(F)(F)F)C2=O)c1 799212784 KHLZKGVBROICGP-GOSISDBHSA-N 483.943 5.788 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@H](C)c2ccccn2)c1 837381255 FRCZMIORKCKWOD-VGSWGCGISA-N 489.557 5.020 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1cccs1 838187519 HVTVGJBXSDFXAM-JOCHJYFZSA-N 479.627 5.480 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 858068684 SFRPCMITJXQISI-QHCPKHFHSA-N 455.583 5.416 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N([C@H](C)Cc2ccco2)C1=O 914694450 KEPWLRMKZOQJKZ-WZONZLPQSA-N 477.586 5.188 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1 914849940 DYNHCCBXYXNHKX-UHFFFAOYSA-N 489.988 5.316 30 20 JKED N#C[C@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc(-c2ccccc2)cs1 915101783 IIIZKGQJGRFLNW-OAQYLSRUSA-N 464.550 5.615 30 20 JKED C[C@H](OC(=O)c1cnc(-c2ccccc2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 915550382 RVOJBSUHJBIHLJ-AWEZNQCLSA-N 451.573 5.196 30 20 JKED O=C1/C(=C\c2csc(-c3ccccn3)n2)CSC/C1=C/c1csc(-c2ccccn2)n1 915985675 OVPYUQDHFSFMFY-VULZFCBJSA-N 460.609 5.507 30 20 JKED O=C1/C(=C\c2ccc3ncccc3c2)CN(c2cnccn2)C/C1=C/c1ccc2ncccc2c1 915993430 QCXQNQUYKNZZDZ-URXAUHHJSA-N 455.521 5.129 30 20 JKED C=CCOc1c(Br)cc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc1OCC 916138509 LMYRDWHRCCAPFA-ATVHPVEESA-N 482.330 5.155 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2cccc(Cl)c2)n1 916903681 VPTJBQBKKIDBGS-AWEZNQCLSA-N 460.342 5.395 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 916912362 YYOUXUPZHNXNOG-JTHBVZDNSA-N 475.932 5.047 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(I)c1 916929869 CHBHNMVLTNFMGS-JTQLQIEISA-N 493.515 5.213 30 20 JKED N#C[C@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 916976878 VRQIDSJRCHNCSJ-QGZVFWFLSA-N 469.950 6.128 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)cc1 917036849 PFFFEURBPXDXIQ-DEOSSOPVSA-N 458.583 5.243 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)[C@H]1c1ccc(OC)cc1 917046472 KIFAEHVPFLFSOM-DCLXLUIPSA-N 496.032 5.915 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccc(Cl)cc1 917047206 TZPNWHJKPOTUIB-HNNXBMFYSA-N 488.425 5.850 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)ccc1Cl 917371894 ISVLQACQZZSCRL-UHFFFAOYSA-N 462.358 5.022 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cc(OC)c1OCc1ccccc1 917645185 ULCIFMGUVJKVRR-OEAKJJBVSA-N 488.590 5.560 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)c1 917669534 RSWDQABPGNPKTD-DEOSSOPVSA-N 472.614 5.476 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1C 917670450 WLXRVOQKFRVFMU-FQEVSTJZSA-N 493.551 5.319 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2Cl)cc1 917681892 SCDMFNNSXVRSTO-JOCHJYFZSA-N 474.973 5.372 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1cccc(F)c1 917702865 IZCWQSZDIMKWIS-HSZRJFAPSA-N 490.535 5.039 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccc2c(c1)CCC2 918110099 XVMPZHNTIIUYPT-HHHXNRCGSA-N 478.621 5.704 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3c(Br)cc(C)cc3C2=O)cs1 920066273 OEOWEKRZWCSEDC-NTEUORMPSA-N 487.350 5.696 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)c(F)c2)C1=O 920353104 AVKFVZHLROBHJD-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3cc(C)on3)C2=O)cc1 920354472 CTSINLHKWZQJDE-QHCPKHFHSA-N 492.601 5.241 30 20 JKED CCOC(=O)Nc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 920473205 IWAZHZGLHHVICP-UHFFFAOYSA-N 474.542 5.110 30 20 JKED N#C[C@H](C(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc(-c2c(F)cccc2F)cs1 920803868 FTFFCKDQQBSHKP-LJQANCHMSA-N 474.488 5.575 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)CCC2)cc1 1785843459 ODAHBZZAONUMHU-SFHVURJKSA-N 457.615 5.026 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(OC)cc3)CCC2)cc1 1786370891 GKORUPDIPWBVBO-FQEVSTJZSA-N 485.584 5.096 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4ccncc4)CCC3)cc2)c(O)n1 1787171796 MWNBHRKNUFQFCJ-UHFFFAOYSA-N 484.600 5.071 30 20 JKED CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cn1 1787257636 JPAQSZAYRQOZPH-UHFFFAOYSA-N 482.584 5.364 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)CCC2)cc1 1787646220 MEYBDBVLEWYUMN-UHFFFAOYSA-N 478.474 5.429 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COc4ccc(F)cc4)cc3)CCC2)c1 1787728479 WMVFATLZHNXXCE-IBGZPJMESA-N 471.532 5.279 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(OC)c3)cc2)CCC1 1788359106 UOMRJZXKSGFOQR-UHFFFAOYSA-N 499.611 5.488 30 20 JKED CCCc1onc(C)c1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1788777409 JKMOMMISIWMTSR-UHFFFAOYSA-N 470.573 5.188 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5sc(C)nc5c4)cc3)CCC2)c1 1789048474 XFORUNYAIYAGFR-UHFFFAOYSA-N 496.592 5.547 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ccc(OC)nc34)CCC2)cc1 1789456237 NDBOWAQISDEEEP-FQEVSTJZSA-N 458.562 5.088 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)CS[C@H]3CCCCO3)CCC2)cc1 1789508086 JXHKWDDFDAAVJZ-VWLOTQADSA-N 486.754 5.431 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1789576801 GCUFQKQYLURCMW-CCVNUDIWSA-N 474.948 5.281 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1790512864 QKZUNLZJXSLFIU-UHFFFAOYSA-N 491.975 5.145 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccsc3)CCC2)cc1 1790519021 CPPZTILLSJYWIY-QFIPXVFZSA-N 497.661 5.284 30 20 JKED CCN(CC)[C@H](C(=O)NC1(c2ccc(NC(=O)[C@H](C)ON=C(C)C)cc2)CCC1)c1ccccc1 1790567222 JFWHXUHWPXSMRT-OFVILXPXSA-N 478.637 5.005 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)n(-c2ccccc2)n1 1790762732 UANFWWGEBLRPLX-UHFFFAOYSA-N 493.542 5.253 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cccc6ncccc56)CCC4)cc3)c2c1 1790834989 CCOFZZWMPUMODC-UHFFFAOYSA-N 486.535 5.044 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)ccc4c3OCO4)CCC2)cc1 1791298871 YNSBFOOHECWQMF-UHFFFAOYSA-N 462.880 5.028 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791404112 BEBIWLGKCWXSIL-HSZRJFAPSA-N 493.648 5.146 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cnc(C)s3)CCC2)cc1)c1ccc(O)cc1 1791645514 IJBWCJVZAPOYCK-FRFYRWIFSA-N 499.636 5.502 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1 1791730770 VMTLBLFKROMTLD-UHFFFAOYSA-N 483.568 5.473 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1 1792170604 JOKDOJNUAVVNCU-OAHLLOKOSA-N 464.459 5.183 30 20 JKED C#CC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccc(Cl)cc3)cc2)CCC1 1792203912 ITBXNMSAGHUATR-JOCHJYFZSA-N 496.007 5.063 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C(=C)C(F)(F)F)CCC2)cc1)NC(=O)OC(C)(C)C 1792206605 KTGOOQIFXBMICH-LJQANCHMSA-N 495.542 5.099 30 20 JKED CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)c1ccccc1 1795457611 JFZAMUZLWIKNHX-KAOXLYBCSA-N 469.507 5.023 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(Cl)c(C)c3)[nH]n1)C2 1798591349 UJOFYOOBUWBLEY-ACDBMABISA-N 469.029 5.283 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1802959006 ZTIIVDQFYNNOND-JZRJJGTOSA-N 486.660 5.198 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 1803859465 UDWWNVKDTWBZQV-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-n4cccn4)cc3Cl)CC2)C1 1805457599 IRNMNXARZYZNCM-UHFFFAOYSA-N 481.040 5.139 30 20 JKED CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1ccccc1 1806272478 RVLQDRZFFPWONO-FULLSBAXSA-N 489.736 5.332 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1 1807564859 JROLRLPMAZVIJC-YIXXDRMTSA-N 472.633 5.194 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1809335783 FZKLVMMSPSUOLD-RDGATRHJSA-N 474.630 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3scnc3c2)[C@H]1c1cccnc1 1809947244 FXCHDSACEFZHLS-NZQKXSOJSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810173980 KOVPPDXUGGBPLK-CAKYRVLISA-N 491.607 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1810272520 OYANCAPDVONBBR-SVEHJYQDSA-N 497.715 5.606 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810930673 VQGKXMAUBLPVGJ-CDNPAEQRSA-N 489.513 5.328 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1811142342 YBRRKPRVAZBXSL-UQASEVPWSA-N 479.930 5.286 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1811252709 ASVOHRJSUDYCTL-NIRIFSCTSA-N 482.024 5.222 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811784704 YBSKXDXFCVKXRR-WZONZLPQSA-N 490.406 5.616 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1813941781 XVKULXXCQQCDEE-MBSDFSHPSA-N 473.951 5.101 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1813960082 BATHMOCBJVSTKK-YEEURNOCSA-N 490.648 5.276 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813973615 XHAMUWHXGMNPMS-PNCHPQGNSA-N 490.406 5.616 30 20 JKED Cc1ncsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1816494174 IMVBAZJCOXHIKN-DEOSSOPVSA-N 495.608 5.194 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3cc(Cl)ccc23)n[nH]1 1819163707 QHGHANVIZCZQID-JXFKEZNVSA-N 466.973 5.014 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819221496 IIIVWZFHVBZOEK-OAQYLSRUSA-N 465.985 5.619 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1819301862 UKZSITDDFSMXQH-AVRDEDQJSA-N 465.985 5.619 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820221494 WALRTOIHAPQZSB-IBGZPJMESA-N 483.906 5.141 30 20 JKED CC(C)c1cc(Br)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)c1 1821333512 OOVPPBCXNABXMR-HXUWFJFHSA-N 498.425 5.295 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc3ccc(Cl)cn3c2C)n[nH]1 1821561646 DNJNNHZSCCDPIE-LJQANCHMSA-N 483.016 5.318 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1821924612 FEZIIKMFYJBZHS-HOYKHHGWSA-N 459.594 5.335 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1)C(F)(F)F 1821989040 QOTSEPRGHSYRKZ-FQEVSTJZSA-N 471.483 5.138 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)ccc3C(F)(F)F)n[nH]2)cc1 1823302507 LQTZIBMWIKAIQK-FQEVSTJZSA-N 485.441 5.059 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)[nH]n2)CCC1 1823381923 MZKFEEUVBMLILB-QGZVFWFLSA-N 479.890 5.082 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823682778 FOTNBTDHOMDKSR-WXVAWEFUSA-N 489.685 5.291 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)oc2ccccc12 1823683172 LHKNRQSDVUILBA-SANMLTNESA-N 483.612 5.479 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824056095 PCZADLXWIOIACA-AREMUKBSSA-N 494.035 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 1824145342 WRDPJNBZOHGCEO-FTJBHMTQSA-N 486.100 5.331 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1824500444 ZMTGWDVBRVMQGA-NDEPHWFRSA-N 489.660 5.273 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 1824961053 FPHMPVCYMDGVSQ-FQEVSTJZSA-N 499.902 5.255 30 20 JKED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)CC2 1825126038 CMWODWAUTOYPDP-WFASDCNBSA-N 476.524 5.081 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2F)CC1 1825374966 TUROCYPBPSNBFM-OAQYLSRUSA-N 492.111 5.159 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@H](C)S)CC3)c2c1 1827299582 QDRSVVJYKLAYSO-AVRDEDQJSA-N 486.678 5.192 30 20 JKED C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827684765 RQLLYHFCIAAECN-VQMHNJBBSA-N 478.658 5.301 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c2[nH]1 1828214329 JIKNUEPYSWRIBR-SANMLTNESA-N 468.601 5.090 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360592 LIWXPHPSIQXAIY-QIQWJQGCSA-N 489.660 5.578 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1)C(F)(F)F 1828554074 SUEPBYZZFOGNJK-OAHLLOKOSA-N 456.555 5.315 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1828778135 OJOJBCJSMYCWAR-JTSKRJEESA-N 485.650 5.173 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(Cl)cc2Cl)CC1 1828824110 JYLYSHMOETVTGM-FPOVZHCZSA-N 464.437 5.390 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1 1828826738 LFVSXXTYVUWBIB-IFMALSPDSA-N 463.544 5.102 30 20 JKED O=C(c1cc(Cl)c(F)c(Cl)c1)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828999476 SHJYHAUXQCLHQP-VOZXZEHESA-N 494.394 5.078 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc3ncccc23)CC1)c1ccccc1 1829035065 KRTQYCYNXCTKEZ-NAKRPHOHSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(OC)ccc3o2)CC1 1829066492 GMDGHWVHDKLQBD-HSZRJFAPSA-N 466.622 5.667 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c(Cl)c1 1829140750 GPNIQUXPHWYNNO-FQEVSTJZSA-N 492.929 5.106 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cn2)CC1 1829223467 RNMPKNUFHLHADN-QHCPKHFHSA-N 474.121 5.019 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2SCc2ccccc2)CC1 1829492073 ZTUXLPKJCGQAKH-DEOSSOPVSA-N 490.673 5.157 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829597986 MMZGYXLBSOFBEJ-RUZDIDTESA-N 487.669 5.933 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c1Cl 1829690153 MSKUPCKPXNXPFQ-QHCPKHFHSA-N 475.976 5.505 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c1 1829893332 QUWZCUWQDRDFMS-VWLOTQADSA-N 464.009 5.078 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)CC2)cc1C#N 1830092897 UJVKBPORRSBGOC-VWLOTQADSA-N 495.570 5.171 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723594 LAYHZYGFGYQHMP-JPYJTQIMSA-N 497.064 5.021 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831296896 LCWJRULTUDXOJH-BJKOFHAPSA-N 476.583 5.636 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 1831373859 UXACTDCVGDXMIH-GGAORHGYSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1831375770 DYTYIVUVDLIYGR-MHECFPHRSA-N 454.014 5.334 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c(Cl)c1 1831483516 ZPGFSPYVOZEZPG-LALUYCJQSA-N 468.041 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1832629498 SGGHTPMCIPEKMG-RBISFHTESA-N 482.628 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc4ncccc34)CC2)c1 1832629566 UCZUIUWBRUMEMP-PZGXJGMVSA-N 494.639 5.338 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3c(C)cccc3C)CC2)CC1)c1ccccc1 1838416917 XBNQRJCYUCAORY-MUUNZHRXSA-N 486.656 5.113 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCCCCC(C)(C)C)C2 1845201488 PIDPNODROOZZFN-NRFANRHFSA-N 477.690 5.046 30 20 JKED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccccc4)cc2)C3)cc(C(F)(F)F)c1 1845514468 XJZUXRBUOKDWBI-UHFFFAOYSA-N 489.497 5.375 30 20 JKED C#CCCCC(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845547179 OTDGMPULHMBQRE-UHFFFAOYSA-N 452.554 5.253 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2scc(-c3ccccc3)c2c1=O 9041736 NVNCVUVJSDDNRA-INIZCTEOSA-N 477.611 5.439 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccco1 9566717 DFHVJUZPPHYQTO-UHFFFAOYSA-N 455.609 5.127 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 9976395 LUOQOMXKBKRYRX-XMMPIXPASA-N 451.617 5.103 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10170737 FZXQMSFEXCKHQC-UHFFFAOYSA-O 465.642 6.739 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(CO)c1)c1ccc(F)cc1F 10179231 BXMZYSAAPNNNBJ-UHFFFAOYSA-O 468.332 5.102 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)c1 11268579 KPAWDHHPTRUVNT-UHFFFAOYSA-O 482.585 5.832 30 20 JKED CC[C@@H](C)n1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 11416441 FALLGSGYMIGIMT-GOSISDBHSA-N 483.663 5.111 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cccc(Br)c2)c1 15247629 JIZPCOVEAREMAO-UHFFFAOYSA-O 471.356 5.004 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccc(OC)cc1 16865030 FKHGRGHQQUCFER-HNNXBMFYSA-N 487.423 5.330 30 20 JKED COc1ccc([C@H](CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)c2c[nH]c3ccccc23)cc1 19142872 UWJUPJUFTHXKKG-DEOSSOPVSA-N 484.625 5.409 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 19206170 CEWWXBJGKSWCMD-UHFFFAOYSA-N 454.458 5.536 30 20 JKED CCOc1ccc(-n2c(SCC(=O)Nc3ccc(CC#N)cc3)nnc2-c2cccc(C)c2)cc1 20051048 UAWGDLZLISUBHL-UHFFFAOYSA-N 483.597 5.438 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 21179060 RTDFSIXWVSHCPA-UHFFFAOYSA-N 466.588 5.844 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 23407152 UPBLIURRQOEFLS-QGZVFWFLSA-N 474.611 5.794 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)cc1 26494614 ZPLCOEDATPTTQB-HXUWFJFHSA-N 477.634 5.627 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)c3sc(-c4ccco4)nc3-c3ccccc3)n2)C[C@@H](C)O1 29609404 QJIYWWDGQXLLHH-IYBDPMFKSA-N 480.615 5.772 30 20 JKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1ccccc1OC 30686115 WUICVUWHUICFON-UHFFFAOYSA-N 450.589 5.564 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3C)n2Cc2ccco2)cc1 303002970 YRQBLWSJXFBILD-NRFANRHFSA-N 485.613 5.631 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303205738 PRDNHDSNZDHNRN-UHFFFAOYSA-N 478.346 5.180 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 303246381 AUYBRGCFZFCOGL-CYBMUJFWSA-N 488.009 6.605 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 409548247 IONABAOTCOLYOP-UHFFFAOYSA-N 488.332 5.812 30 20 JKED CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 480405634 OFXFGJYEVQSIFV-OAQYLSRUSA-N 459.502 5.053 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(-c4ccccc4)s3)s2)c(C(F)(F)F)c1 487420622 YCDPWQKQMKPXFR-UHFFFAOYSA-N 470.501 6.000 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(O)c2ccccc2n1 501146031 DIVMVABNYJJCTC-UHFFFAOYSA-N 454.505 5.211 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 502102608 YYZXTQAALCNVLL-UHFFFAOYSA-N 493.354 5.700 30 20 JKED Cn1cnnc1Sc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl 502475246 UYNCRHSNVSVHID-UHFFFAOYSA-N 478.002 5.895 30 20 JKED C=CCN(C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502944500 IKZBSWYRVSHDII-HOTGVXAUSA-N 492.428 5.201 30 20 JKED CC[C@H](C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccccc1 504313019 DJQLLPZDVCUMGE-OALUTQOASA-N 463.607 5.352 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1Cl 505103135 DBPXFMIHPBCWPJ-DEOSSOPVSA-N 459.977 5.865 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)N(C)Cc1cccc(C#N)c1)(C3)C2 509971509 UPVHIJHHCMEQEE-ZHKRYAAZSA-N 494.639 5.024 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccnc(OCC(F)(F)F)c1 510886270 CVXSBECACQCKEN-UHFFFAOYSA-N 456.424 5.317 30 20 JKED CC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1OC(F)F 511318241 CYPIJOQFFUNIFD-QFIPXVFZSA-N 465.500 6.206 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(OC(F)F)c1 511473537 IPFQAYORKVZQET-HNNXBMFYSA-N 450.445 5.295 30 20 JKED COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1F 511695751 PTBIMIJBFJSULT-UHFFFAOYSA-N 466.412 5.318 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCCC2)C(C)C)nc2scc(-c3ccccc3)c2c1=O 514773101 CTBVQARHTHDPNI-HXUWFJFHSA-N 453.633 5.050 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 516245746 YSLKMWTYIWDLFZ-FQEVSTJZSA-N 460.603 5.522 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)n1 516346412 IZKYIVLUEUJJPE-IBGZPJMESA-N 490.972 5.375 30 20 JKED COCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 518683574 YEDZASWHOHAQOS-DLBZAZTESA-N 465.541 6.199 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518754420 KZKDDWOTLYAWHS-HXUWFJFHSA-N 483.572 5.490 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 519485293 ROTHTWPCHDFUIM-GOSISDBHSA-N 451.621 5.112 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 520153399 FROIVJIAZZIIAA-UHFFFAOYSA-N 478.600 5.233 30 20 JKED C=CCn1c(SCc2nc(-c3ccoc3)no2)nc2sc(-c3ccccc3)c(C)c2c1=O 520650568 BPKKXIKUUPKGHT-UHFFFAOYSA-N 462.556 5.555 30 20 JKED N#CCSc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Br)cc1 521329522 MSVXCXCIANPQQH-HSZRJFAPSA-N 466.404 5.382 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 521811620 NSORJHWVTAFOTD-JKSUJKDBSA-N 467.513 5.003 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1Cl 522486908 ZRXBSMFVZFRLAM-MIZPHKNDSA-N 497.904 5.625 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 524289478 XLXFTCKRKCLPLG-OAQYLSRUSA-N 490.563 5.329 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c([N+](=O)[O-])cc1OC(F)F 603613718 PAPIJPJTMMMTQB-ZDUSSCGKSA-N 479.848 5.472 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([N+](=O)[O-])cc1OC 603613824 YBYOXHRAOCIKAT-NMARRSBVSA-N 467.547 5.026 30 20 JKED N#Cc1c(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)sc2c1CCCC2 603750056 XUMBRNGAUVCUGY-UHFFFAOYSA-N 494.414 5.695 30 20 JKED CC(C)c1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cnn1-c1ccc(F)cc1 603893498 HKBUPBWRBDEWRF-UHFFFAOYSA-N 454.505 5.838 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)n1 604432308 GAVXEHAHNHTYQM-KRWDZBQOSA-N 461.474 5.271 30 20 JKED Cc1ccc(N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2nc3ccccc3s2)c(C)c1 604440875 KOTJMZJHHNTDMQ-UHFFFAOYSA-N 480.597 5.742 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)cn2)c1 604510174 KIAMZHPYVAUHKX-RUZDIDTESA-N 498.489 5.062 30 20 JKED Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609088702 BXHHYPBOVQZDFZ-UHFFFAOYSA-N 475.976 5.132 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 609107548 NTNCVXMRNPAXPB-UHFFFAOYSA-N 478.986 6.046 30 20 JKED N#C[C@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(OCc2ccccc2)cc1 609172921 GONBDJFKMPCENQ-VWLOTQADSA-N 455.539 5.296 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)c2)cc1 609175778 CASWRXYXNWBJIC-UHFFFAOYSA-N 469.522 5.404 30 20 JKED CN(C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(C#N)cc1F 609215877 AGWKBDMOXWZHTG-UHFFFAOYSA-N 471.410 5.010 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)cn2)cc1 609254742 HWVMBJIWQOVDMW-XMMPIXPASA-N 474.948 5.385 30 20 JKED N#CCN1CCC(NC(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)CC1 609397450 PIOUTKRQDARFDL-UHFFFAOYSA-N 463.763 5.004 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 609402896 TYHCHTLNASJFRU-JOCHJYFZSA-N 467.953 5.329 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 609403368 QKVHTKLTJZUETB-MBSDFSHPSA-N 478.017 5.630 30 20 JKED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)C1 613403397 OEDSOZGVGJCSKF-CLCXKQKWSA-N 488.034 5.106 30 20 JKED O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cnn(-c2ccncc2)c1C(F)F 622485109 DVKLPECCOQVOEW-HNNXBMFYSA-N 464.316 5.257 30 20 JKED Cc1cccc(-n2ncc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2C(F)(F)F)c1 642158906 XNTXSGYKTMTYLG-ITGUQSILSA-N 487.366 5.839 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(O)c2ccc(C(F)(F)F)cc2n1 642288000 SILQAQSERDMHSB-UHFFFAOYSA-N 457.481 5.015 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Br)cnc2Cl)n(C2CCCCC2)c1C 725941954 QLFJFVSPBGEBIX-UHFFFAOYSA-N 493.789 5.088 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 726393926 RUSBHLZMZLUXBK-YJYMSZOUSA-N 498.407 5.518 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 726415147 INBJIHAOIWDCII-DVECYGJZSA-N 488.613 5.590 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1)c1cccs1 726420767 MYGFNOMZXYFOTK-UNJCWQMKSA-N 457.552 5.070 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 726475543 JZPUKBJHVLYFAX-NRFANRHFSA-N 456.011 5.357 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 727026502 ASVSRUQPPXXPJS-FTJBHMTQSA-N 474.992 5.190 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C\c2ccc(Br)cc2)cc1 727354253 FJZVGGZMRCRSJE-KSAKKHMLSA-N 453.361 5.517 30 20 JKED Cc1csc([C@@](O)(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C(F)(F)F)n1 728029422 SMTIUBMUGLJYER-NRFANRHFSA-N 495.910 5.334 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)Cc2csc(NC(=O)c3cccs3)n2)c1 728248403 LKXOYSLFIQMANQ-UHFFFAOYSA-N 457.580 5.214 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2CCCCC#N)c(Cl)c1 728779048 GKINHNWJODDJJK-OAQYLSRUSA-N 483.037 5.289 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729069718 MJRVKRMNTKCYLL-FQEVSTJZSA-N 483.351 5.851 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(C#N)cc3F)C2=O)c1 729818739 FZJXDYBKUOUIBX-DEOSSOPVSA-N 486.572 5.475 30 20 JKED C#CCOc1cccc([C@H](C)OC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)c1 730700130 OULNZBIBIQSFQA-INIZCTEOSA-N 482.627 5.215 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2cocn2)C1=O 730730501 WGMFXOLDIUNPPE-JGUOVXTESA-N 489.022 5.288 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1 730858881 XDOTULHXFCBXON-AWEZNQCLSA-N 464.465 5.182 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CCOCC1CC1 730945072 LTDDTKKENXNDLM-VWLOTQADSA-N 498.608 5.098 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1SC(F)(F)F 731072689 CFZLZEALUZMZPD-ZDUSSCGKSA-N 454.495 5.346 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 731079059 ARDJDUHGECYPBZ-ZIAGYGMSSA-N 467.374 5.194 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2Cl)C1=O)Nc1cccc(O)c1 731310794 QAAQBNVQJBIGHY-OAQYLSRUSA-N 483.952 5.345 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747000404 PIJRQBBXDXOUNZ-HXOBKFHXSA-N 465.475 5.519 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCc3nccs3)C2=O)cc1 747601833 WOMSFLKJUACFGX-LJQANCHMSA-N 485.034 5.308 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1F)C(=O)Nc1cccc2ccccc12 748003763 JIVVYPKBFFQWOL-SFHVURJKSA-N 471.351 5.322 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)cc1 748481590 FESVRWRHCWLURH-VQIMIIECSA-N 463.969 5.519 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c1C 749313893 WQPVDOVJASGBHI-UHFFFAOYSA-N 477.586 5.318 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 750393119 YDQCWDLSUXEYTQ-OAQYLSRUSA-N 469.570 5.082 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(Cl)cc2)cc1 912825117 GBNSDWCETGOVCO-UHFFFAOYSA-O 495.068 6.310 30 20 JKED Cc1cc(S[C@@H](C)C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)n2c(nc3ccccc32)c1C#N 913257670 IDBYCUKHBLRNLF-GJZGRUSLSA-N 463.563 5.133 30 20 JKED N#Cc1cccc(CNC(=O)c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(Cl)cc2Cl)c1 914445784 DPJSNUFJBFELRP-UHFFFAOYSA-N 494.787 5.249 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)n2)cc1 915099887 FUWBVWNQGZBVIU-IGVGMEOHSA-N 491.638 5.008 30 20 JKED Cc1ncc(CO)c(/C=N/C[C@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)c1O 915980225 ZARJRONBHGLGHK-IVCWAIIXSA-N 476.429 5.175 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=S)Nc1ccccc1C#N 915997388 IGCYSYKMIDHTTR-UHFFFAOYSA-N 457.990 5.893 30 20 JKED C=CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166908 XZFIVILYDQYXLS-LJQANCHMSA-N 483.412 5.889 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCc2ccc(F)cc2)C1=O 916208775 UJNIAKLWNMKZIC-QHCPKHFHSA-N 495.551 5.176 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CC2)C1=O 916213310 CWOOSPVDUHDAEG-GOSISDBHSA-N 464.374 5.125 30 20 JKED CN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916684337 YFJVGXIVRORVNZ-FQEVSTJZSA-N 457.921 5.308 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 916935425 QEZOUJMPTWSUSP-WMHVBEDNSA-N 486.368 5.102 30 20 JKED C=CCn1c(SC[C@@H](O)c2ccc(F)c(F)c2)nc2scc(-c3cccs3)c2c1=O 916976842 ZQDDLJKFPSOXHA-MRXNPFEDSA-N 462.568 5.476 30 20 JKED CCCOc1c(Br)cc(C=Nn2c(S)nnc2-c2ccccc2OCC)cc1OC 917029298 ARTRRJCRHNPZKX-UHFFFAOYSA-N 491.411 5.075 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(C)n2)cc1 917682569 WHJDHCUGWOTXIM-DEOSSOPVSA-N 488.613 5.122 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H]1CCN2CCC[C@H]2C1 917697678 ILVOUCPMJFPVEK-AWRGLXIESA-N 496.721 5.160 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 917712077 CSQRCFAUGVKPBT-DVECYGJZSA-N 472.614 5.927 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccccn2)C1=O 917712156 FNFGMYFWCRGARG-DEOSSOPVSA-N 488.613 5.374 30 20 JKED N#C[C@H](C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1nc2cc(C(F)(F)F)ccc2s1 920113282 UFTGDYMINMMRNU-HUUCEWRRSA-N 463.868 5.198 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc3c(c2)CCC3)no1 920359370 KTHXKXNLZLUCQC-JOCHJYFZSA-N 495.004 5.286 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc(OC(C)(C)C)cc2)cc1 920480167 ZHLUGOAXGODQDM-QHCPKHFHSA-N 495.645 5.063 30 20 JKED CCCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920805541 DGANCTKXAOJGQC-QGZVFWFLSA-N 454.498 5.716 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCCC#C[Si](C)(C)C)C2)CC1 1779359782 AFZVSZQLQXJJQU-PAHOUZJPSA-N 488.789 5.158 30 20 JKED Cc1ccc(OCCC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1 1785968727 CHVADYKSTMWKTO-UHFFFAOYSA-N 467.569 5.278 30 20 JKED Cc1cc(C)n2ccc(C(=O)NC3(c4ccc(NC(=O)CCc5cccc(C#N)c5)cc4)CCC3)c2n1 1786041635 QNMVJRTYUPWBBB-UHFFFAOYSA-N 491.595 5.203 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3)CCC2)cc1 1786368782 PBATZQAAAZCOQD-UHFFFAOYSA-N 462.590 5.206 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)C3=CCCS3)cc2)CCC1)c1ccc(O)cc1 1786415560 QRKQMQFCAHNHCH-HXUWFJFHSA-N 460.599 5.044 30 20 JKED O=C(CCc1cnccc1C(F)(F)F)Nc1ccc(C2(NC(=O)C(F)(F)C(F)F)CCC2)cc1 1786780926 HLLFEIKKLLXWPA-UHFFFAOYSA-N 491.407 5.068 30 20 JKED Cc1ccccc1NCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1788110305 OVJNHOQGABTFTN-UHFFFAOYSA-N 472.976 5.380 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnn4c(-c5ccsc5)ccnc34)cc2)CCC1 1788394772 QHNVXADGXNRVFA-GOSISDBHSA-N 485.613 5.418 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789151754 NMTILGCFSCRKLJ-ZQMYSKGWSA-N 452.982 5.169 30 20 JKED COc1ccc2c(c1)CC[C@H](CC(=O)Nc1ccc(C3(NC(=O)[C@@H](C)ON=C(C)C)CCC3)cc1)C2 1789165431 AEUKUELHSJUHSQ-RTWAWAEBSA-N 491.632 5.125 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCn3c(O)nc4ccccc43)CCC2)cc1 1789456081 KHACNVUKCXMBFY-HSZRJFAPSA-N 486.616 5.425 30 20 JKED CCCC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)cc1C 1790054703 FUMSVIXXZNQNJL-UHFFFAOYSA-N 472.589 5.175 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(C)cccc5[nH]4)CCC3)cc2)c1 1790073045 JBLFGVBIXZMASH-UHFFFAOYSA-N 478.552 5.418 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)cc1 1790521761 ZFKYOMYGQZCIKO-IZZNHLLZSA-N 497.570 5.186 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790590547 BRMFMCXKCQZRAS-UHFFFAOYSA-N 483.568 5.006 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)cc2)CCC1 1790744610 MDVSOOXTWYMECK-UHFFFAOYSA-N 489.616 5.215 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)F)c4)CCC3)cc2)c1 1790765090 MITOBJSEYINGCL-UHFFFAOYSA-N 464.447 5.091 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5ccnc6ccccc56)CCC4)cc3)c2c1 1790835136 OARUHWCKNMQTMR-UHFFFAOYSA-N 486.535 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC(=C)CN3C(=O)OC(C)(C)C)cc2)CCC1 1791681360 LHEXYSPHGCSWTB-RPWUZVMVSA-N 493.648 5.455 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](CC=C)NC(=O)OC(C)(C)C)CCC2)cc1 1791730284 XVKSHBNGLXNGJR-QHCPKHFHSA-N 481.637 5.174 30 20 JKED Cc1ccn2ncc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@H](C)C#N)c5)cc4)CCC3)c2c1 1792123575 JWQPBBLRYGVWHL-HXUWFJFHSA-N 477.568 5.331 30 20 JKED CC(C)(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)s1 1797152041 HKMXDTUPVKDNTM-BJWYYQGGSA-N 456.011 5.136 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2n1 1798198128 JHXUWUBTVVEVIY-BCDXTJNWSA-N 484.438 5.242 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 1802937625 VIDLGHOBNVUPMZ-DFXJHMEVSA-N 463.597 5.023 30 20 JKED Cc1c(Cl)ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)c1Cl 1803683126 YVKARVCQIIHISZ-GAZPGATBSA-N 470.400 5.495 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1c[nH]c2cc(C)ccc12)c1ccc(O)cc1 1804524432 LGDTZQZCBOXFDL-NKFLDROBSA-N 495.623 5.031 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)C1 1805452280 XAVOYRRAXHQZBI-UHFFFAOYSA-N 454.577 5.355 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)c3nc(C(C)C)cs3)C2)CC1)c1ccc(O)cc1 1807354492 AIKZUYMIKNUUAV-QFIPXVFZSA-N 493.673 5.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c1 1808544231 RJYPMQOLFAXWBS-OGKMONNXSA-N 470.617 5.165 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)c1 1809755569 AFKHVPCBNWEYOH-HXOBKFHXSA-N 490.585 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)COc2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1810491599 FEFUNOQMWNEALM-RSXGOPAZSA-N 477.649 5.084 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811748954 GUQGCQNCFITFMS-HXOBKFHXSA-N 497.357 5.033 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)sc3Cl)[C@@H]2c2cccnc2)c1 1811937020 HGHWWTKVQMPPIE-DYESRHJHSA-N 499.423 5.263 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1812699432 XYYLOWPBALYVQH-SNYIIPAISA-N 467.013 5.143 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC[C@@H](CNC(=O)C3(C)CCCCC3)[C@@H]2c2cccnc2)cc1C#N 1813004633 HXOMJTNYPCYBML-OZXSUGGESA-N 488.632 5.030 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(F)cc2C)[C@H]1c1cccnc1)c1ccccc1 1813987082 WIHBUHFVMYGTLU-FQLPYIGMSA-N 483.587 5.046 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814377946 XBHAZQQFFRGZOU-DVECYGJZSA-N 487.629 5.087 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)[nH]n1 1819308065 UQMYPGPAJWJOOY-GBXCKJPGSA-N 479.600 5.223 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cccc3ncccc23)[nH]n1 1819552957 LEEJFATWGRIHFJ-QHCPKHFHSA-N 459.594 5.185 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820096665 ZFZSOQKETHBKMM-KKSFZXQISA-N 473.602 5.691 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820102752 ZEHCBJDATXUUBQ-NQIIRXRSSA-N 481.647 5.137 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n[nH]2)CCC1 1821090561 WOZPIMPIJFMLJM-KRWDZBQOSA-N 479.890 5.082 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(OCC3CC3)c2)n[nH]1 1821233413 KYHXVPMZVQNCDD-QHCPKHFHSA-N 492.620 5.281 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821270955 MBXZXNGEUZEEHD-OAQYLSRUSA-N 465.916 5.002 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4scnc4c3)[nH]n2)c(Cl)c1 1821278554 SAYODDDXXXGASF-HXUWFJFHSA-N 490.976 5.164 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)c1 1821324882 HBBNVRCVALTESL-NRFANRHFSA-N 481.478 5.228 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1821924740 GVWOTLPKLYNIEU-YCRPNKLZSA-N 451.958 5.129 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCCC2)[nH]n1 1822399013 NOGFBXJCFAMSMS-FQEVSTJZSA-N 485.426 5.252 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823210249 ALLIZVQIHWUNPL-WAIKUNEKSA-N 459.525 5.104 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1823911517 AHTYSPIMEYJKOC-RUZDIDTESA-N 464.009 5.262 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1 1824537941 AWULKRFSTJCNOF-AHWVRZQESA-N 479.690 5.245 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1824861970 PYJVGXSMYVUBPC-BUAQGSAMSA-N 490.619 5.220 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1824936658 KILOYKNXUUYMHG-NEKDWFFYSA-N 471.645 5.407 30 20 JKED Cc1scc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1C 1827680080 GZQJBDNAMCEISE-SHBDEGQCSA-N 470.660 5.099 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(OCC(C)C)c2)CC1 1827695196 AUAOCPPAKADHCT-VWLOTQADSA-N 467.654 5.118 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2occc2Br)CC1 1827767149 IGGHPPVRQZZEND-LJQANCHMSA-N 465.432 5.268 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1)c1ccc(O)cc1 1828412447 CBRYOXYNZMXGPA-AZGAKELHSA-N 482.640 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1 1828820859 GMODWLZWXMLNEB-VWNXMTODSA-N 461.021 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828828185 DSTACKSNAWUOFO-KCWPFWIISA-N 475.633 5.251 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)CC1 1828832051 YHSFLPYWJDCAHK-ZIDCQCFHSA-N 471.041 5.447 30 20 JKED O=C(c1c(F)cc(Cl)cc1Cl)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828999565 XDNXJRHSRRQKJH-VOZXZEHESA-N 494.394 5.078 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccnc2Cl)CC1)c1ccccc1 1829030563 RLBTVIZPFXJWLH-FTJBHMTQSA-N 492.063 5.094 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncoc3c2)CC1)c1ccccc1 1829033654 YWDVNQRNKYTRSY-BDYUSTAISA-N 483.612 5.258 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c(Cl)c1 1829899739 RXCWDYHZLILFOW-JOCHJYFZSA-N 488.390 5.551 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)c1 1829953757 LQZASFLICSKPCL-CFQHJMILSA-N 495.545 5.524 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1 1830016149 BCVDWKDLKQBJGK-DEOSSOPVSA-N 483.534 5.053 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c1 1830169214 IGPCAXSKQFLAHU-HHHXNRCGSA-N 474.649 5.095 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830486822 SXJDMIUUJKDRLJ-CJAUYULYSA-N 481.999 5.653 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)ccc1F 1830570361 VJEKLLZXJRHUDL-SANMLTNESA-N 491.607 5.340 30 20 JKED Cc1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830720882 KOSKPLBCHADAMZ-NRFANRHFSA-N 456.011 5.129 30 20 JKED C[C@@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CC=CCC1 1830723464 JQSZNTQIKLJMLU-ZEQKJWHPSA-N 454.014 5.191 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C(F)(F)c2ccco2)CC1)c1ccccc1 1831143610 KVXOVIGSRHHUKL-DNQXCXABSA-N 482.571 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1831370313 KVLNDJPTMAEQRJ-OEMFJLHTSA-N 491.717 5.148 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831780548 SRJFFXBEUDNYND-DEOSSOPVSA-N 455.042 5.185 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1831852578 TWCISKBGNMOUIJ-MHZLTWQESA-N 482.628 5.267 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832706624 OSOHHCXWVZWTCY-KKSFZXQISA-N 454.508 5.290 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CC1 1838373532 UVGXNSXZPQIJDJ-HXUWFJFHSA-N 497.438 5.513 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)CC2)CC1 1838616307 OJBBTYYWJUBUMA-QFIPXVFZSA-N 492.660 5.208 30 20 JKED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)c2ccc(F)c(F)c2CSc2ccccc2)C1 1844759322 GDQSPMACSVYACI-UHFFFAOYSA-N 492.538 5.286 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(SC(F)F)cc1 11113338 XRXRUXHGWYPDPQ-UHFFFAOYSA-O 479.544 6.180 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)c(Cl)c1 15248374 UJVPIOHBOJSOML-UHFFFAOYSA-O 452.043 6.593 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cn(Cc2ccccc2)c2ccccc12 16403116 RJCJOVYVBRJSHR-UHFFFAOYSA-N 455.539 5.101 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)cc1 18183528 QVTCWULFCUAWAI-UHFFFAOYSA-N 493.639 5.227 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)nnc1-c1ccoc1C 18406285 BYFVCKXYCRSBJA-UHFFFAOYSA-N 491.548 5.155 30 20 JKED C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N(CCC#N)c1ccc(F)cc1 22283570 JTNHXWHWGVBPQE-QGZVFWFLSA-N 467.570 5.610 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)NCCc2ccccc2)cc1 22790714 YOKILNORTGILQR-UHFFFAOYSA-O 471.690 6.138 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(COc3ccccc3Cl)n2C)ccc1Cl 29356527 CVSGVCFYZWWRMH-UHFFFAOYSA-N 490.416 5.048 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)c3c4c(nc5ccccc35)/C(=C/c3ccco3)CC4)CC2)cc1 29920411 AKJMIZUJGFXVPX-PTGBLXJZSA-N 474.564 5.144 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nc2cc3ccccc3cc2c1=O 31747453 YNEBENJBMJFSFP-SFHVURJKSA-N 486.597 5.006 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1SC 195688828 KTBWJPJNOVLTPN-UHFFFAOYSA-N 455.761 5.112 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(C)s4)c3C#N)C(C)(C)C2)o1 205766575 ULWJSBFSMCVKGK-VURMDHGXSA-N 482.656 6.190 30 20 JKED COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1 212189826 ZQTOZEHGTDCDJY-WDUNQMNWSA-N 451.570 5.742 30 20 JKED CCOc1ccc2nc(-c3ccc(NCC(=O)Nc4ccccc4SCC#N)cc3)sc2c1 301904347 DXPKZLZQMOOSRE-UHFFFAOYSA-N 474.611 6.028 30 20 JKED Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1Cc1ccco1 302987070 VJGWCRLLJVSNBZ-LJQANCHMSA-N 489.576 5.461 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 303400690 ZWYSNTDPXPAWGE-IBGZPJMESA-N 457.599 5.725 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)c2)cc1 482543391 KDSUUCQIEBTCEV-UHFFFAOYSA-N 467.912 6.509 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 501148072 LKVZLKJNBNQPRX-SFHVURJKSA-N 458.562 5.910 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 501157989 CZYYFPOKPHOYPH-UHFFFAOYSA-N 475.523 5.707 30 20 JKED CC(C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 502592384 POHPJIZUWVSTSQ-INIZCTEOSA-N 488.444 6.260 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](CCSC)c2nnc3ccccn23)cc1 508260038 QEBJRHMEGOVHPH-HXUWFJFHSA-N 488.573 5.018 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NCc3ccccc3-c3ccc(Cn4ccnc4)cc3)CC2)c1 511343923 JTMRPZKNEVKPQN-UHFFFAOYSA-N 491.595 5.223 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccco3)Cc3cccs3)c2)c1 511496303 DLJQSXXYXCRSKV-UHFFFAOYSA-N 456.527 5.699 30 20 JKED C=CCn1c(SCc2cc(OC)c(OC)cc2Br)nnc1-c1ccccc1F 514481762 SWWICWRZEHXNJM-UHFFFAOYSA-N 464.360 5.342 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)nnc1-c1ccc(Cl)cc1 514701454 LPZYEMRRNFTXFK-OAQYLSRUSA-N 499.036 5.258 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 517092193 PDUJBXVHYWHIQE-FQEVSTJZSA-N 457.368 5.079 30 20 JKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 517460640 NUZQGTDIKHVRBV-STSQHVNTSA-N 493.032 6.363 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCC1 517464545 XRVMMFONXBFEBV-OAQYLSRUSA-N 475.536 5.697 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 517465372 CBMMAVLUDRBWBV-NFBKMPQASA-N 457.599 5.367 30 20 JKED C[C@H](Nc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-])c1ccccn1 517492185 LOPMHUQYURNDTR-DJJJIMSYSA-N 470.316 5.464 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1Cl 517942247 DLZWWZALYHZHDY-UKILVPOCSA-N 475.951 5.731 30 20 JKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1nc2ccccc2o1 518516647 QOEZIODWTRGYHD-FQEVSTJZSA-N 452.901 5.883 30 20 JKED CCC[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)Nc1cccc(N2CCCC2)c1 518682079 QJYJSWLLIYMDAL-CVDCTZTESA-N 479.650 5.467 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 520178358 FPFKMTYJSKWEEW-UHFFFAOYSA-N 477.362 5.627 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cccs2)cc1 520936204 UVRDIFBXLAFSOH-UUOWRZLLSA-N 477.655 6.110 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)cc1C 521307439 HPZFDUZLMUUTNH-UHFFFAOYSA-N 450.502 5.469 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2ccccc2)cc1 521538354 YTZXZGQPBJDWRJ-MHZLTWQESA-N 490.563 5.862 30 20 JKED Cc1nc(-c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)s2)cs1 523527227 HAXYAZLHCAFQOO-UHFFFAOYSA-N 476.602 6.103 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1Cl 524331361 GTSDYZWDXHZJBS-VWLOTQADSA-N 471.988 6.054 30 20 JKED N#C[C@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1cccc(Cl)c1Cl 557642774 BAXKCHFSMNGGRO-INIZCTEOSA-N 456.251 5.134 30 20 JKED Cc1ccccc1-c1nnc(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)o1 590613082 HOZGUSKHBVEZFT-UHFFFAOYSA-N 461.547 5.097 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccn2)c1C#N 604116658 BPPFRYZEIDKSOZ-UHFFFAOYSA-N 498.637 5.176 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(Cl)cc1 604136324 ADNSQNUCTRDSDA-VWLOTQADSA-N 475.976 5.437 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC(F)F)cc1 604142502 PACASAQGKRKPMS-VFNWGFHPSA-N 483.902 5.413 30 20 JKED CC(C)Oc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl 604450636 ZTAUNRYNQTXBRR-UHFFFAOYSA-N 453.886 5.065 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)cc2)cc1 604458535 ASZRBZZVLKZLOW-UHFFFAOYSA-N 473.492 5.731 30 20 JKED CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 609080033 ROCDUOIBJDKSAO-WIYYLYMNSA-N 483.012 5.339 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609378487 OSJUBRBPPCXYQU-HNNXBMFYSA-N 481.565 5.719 30 20 JKED N#Cc1ccccc1COc1cccc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 609432634 BUBASEMFQSJRNJ-PMOLBWCYSA-N 456.430 6.136 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc(Cl)c1OCCC(C)C 613402008 YGFZMJSTULHBCZ-OAHLLOKOSA-N 461.896 6.008 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)nnc1-c1ccoc1C 613907622 JNSSSMKLFAQVSR-HSZRJFAPSA-N 476.627 5.360 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 623050097 ONYINRMEIMIMJC-JZYVYDRUSA-N 492.317 5.065 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](c1ccccc1)c1cccs1 642252601 HMSRWVAHIKEHJG-DEOSSOPVSA-N 460.628 5.114 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C#N)c(Cl)c1 726405990 HRIYLVYGXNSVGG-KRWDZBQOSA-N 495.819 5.889 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)Cc2ccco2)c1 726411853 PAERAFSUEOSIBG-WAIKUNEKSA-N 493.535 5.131 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 726421368 QBCZMLZKBUHOOL-YKKHSHCJSA-N 482.606 5.433 30 20 JKED N#Cc1ccc(NC(=S)N(Cc2ccccn2)c2ccc(Br)cc2)cc1Cl 726473536 KUJMMKGTQKKZSC-UHFFFAOYSA-N 457.784 5.773 30 20 JKED CC(C)C[C@H](C#N)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 726559534 JXLVNLHAWDAXCB-GOSISDBHSA-N 454.646 5.624 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc(OC(C)C)cc2)cc1 726573860 UBYGATNRXRHVLI-UHFFFAOYSA-O 476.622 5.417 30 20 JKED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1 726731279 HMTDWPGFTQQCNX-FQEVSTJZSA-N 452.963 5.067 30 20 JKED Cc1sc2nc(/C(Cl)=C\c3cccc(OCCCC#N)c3)nc(O)c2c1-c1ccccc1 726742356 PPTGULXDRYQUIP-HMMYKYKNSA-N 461.974 6.792 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 726755276 FVMXWTDZDUQUPF-UHFFFAOYSA-N 471.973 5.798 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cn1 726891619 PDLXJLUKEQQUBW-RDGATRHJSA-N 486.597 5.202 30 20 JKED CC(=O)Nc1cccc(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 727978541 IDVXUHLOBWXXTQ-UHFFFAOYSA-N 450.951 5.558 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)OCC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 728022743 UHKDWXSDHKUODR-UHFFFAOYSA-N 452.492 5.120 30 20 JKED Cc1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c(C)n1-c1ccc(C#N)cc1 728274606 UMGFZSIUAMARLL-UHFFFAOYSA-N 456.521 5.465 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2C#N)s1 728424772 HNFCKRVBUAQEOY-SBUREZEXSA-N 499.621 5.521 30 20 JKED C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)ccc1F 728483841 DOUSCXBDCGLOOU-UHFFFAOYSA-N 462.905 5.002 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1 728505671 PQIIAZOIEZJKMQ-MRXNPFEDSA-N 463.303 5.184 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)cc1C 729142752 KYMFOLZIZGGMLV-NRFANRHFSA-N 489.626 5.101 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729144213 CJKYZZPUGCWERI-TZIWHRDSSA-N 491.535 5.036 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3ncccc3C)C2=O)c1 729633281 WOQYZGAQUCFFNZ-HSZRJFAPSA-N 492.576 5.007 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C(=O)OC)co2)[n+]2ccc(Cc3ccccc3)cc2)cc1 729669247 SFXPLANNWARCIE-UHFFFAOYSA-O 499.612 5.558 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(C2CCC2)C1=O 730462527 NVDOPHZYSGJHQD-KAVHPSCTSA-N 471.648 5.479 30 20 JKED CC(C)c1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c2cnn(C(C)C)c2n1 731067177 NXDITMMFRGMCHL-QGZVFWFLSA-N 479.606 5.183 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1ccccn1 731311060 VSYQMXBIXPKPSV-XMSQKQJNSA-N 474.586 5.126 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@H]2CCCO2)c1 743525216 OTAMZURZZDVWGC-IIBYNOLFSA-N 490.000 5.235 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 748583144 CMBUJNULFKYNFV-QCDXTXTGSA-N 474.469 5.035 30 20 JKED Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)n1-c1ccc(Cl)cc1 749230405 XVGKWNRIDATWIV-UHFFFAOYSA-N 460.965 5.110 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](O)c3ccc(OC(F)(F)F)cc3)cc2)cc1 750305876 HEFCUGFICDDLMV-OAQYLSRUSA-N 457.408 5.104 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2c(-n3cccc3)sc3c2CCSC3)c2ccccc21 756810669 LKQARQANZSRGOI-UHFFFAOYSA-N 475.595 5.236 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc2ccccc12 799209829 GFNPCXCMPOHMLB-NRFANRHFSA-N 481.499 5.452 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(-c3cccs3)cc2)cs1)c1ccc(F)cc1F 818260483 FKAJEWUGHAQKRE-PKNBQFBNSA-N 466.534 6.731 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2cccnc2Cl)ccc1Cl 819203360 XNOWRTIPJGICFJ-UHFFFAOYSA-N 496.803 5.675 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C[C@H]2CCCO2)C1=O)Nc1ccc2ccccc2c1 838595211 CKDJRWAJINQTHX-NFBKMPQASA-N 495.551 5.257 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 852308594 JPZORSWQHUNSDH-UHFFFAOYSA-N 452.555 5.431 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@H](C)Cc2ccco2)C1=O 914690250 OOMPEWNEBURNSJ-IVZQSRNASA-N 499.539 5.158 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2cc(Cl)ccc2OCc2cccnc2)c1 914695140 GTBSTRYNSYWDLH-UHFFFAOYSA-N 479.993 5.272 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 915181002 VSHSVKFVPQSNDO-OASJLCFRSA-N 471.557 5.010 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 915354014 SSTBPTSJSCQNAW-MHZLTWQESA-N 493.636 5.815 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(Cc3ccccc3)n2)n(C2CCCCC2)c1C 915454546 QCRMPYQBSPDINT-UHFFFAOYSA-N 476.602 5.325 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1OC(F)F 915771531 JDGDKRWPKOTJDW-FGZHOGPDSA-N 463.484 5.149 30 20 JKED N#Cc1ccccc1NC(=S)Nc1ccc(F)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 915995209 KOFQTXCFSIRYNS-UHFFFAOYSA-N 494.495 5.326 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(OC)c1 916206617 QBRZKRQGEPLUNL-HXUWFJFHSA-N 493.551 5.865 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1Cl 916207015 WNKRQIUDOXEYPZ-SFHVURJKSA-N 492.359 5.886 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2s1 916847937 WROQTPUBNXNZJN-KSFYIVLOSA-N 463.356 6.055 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2cccc(Cl)c2)nc1C 916903285 MKLHRWNJUAYSKN-IBGZPJMESA-N 451.979 5.858 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)sc2C)cc1 916904046 ZQVFXRWVFGEUTM-GOSISDBHSA-N 468.962 5.664 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1=Cc2cc(Br)ccc2OC1 916908072 LCPXPCBZUJBTCX-FQEVSTJZSA-N 489.325 5.365 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 916918600 QYEBCTQAWZNKEN-FQEVSTJZSA-N 463.522 5.110 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 916925752 OOHNCKZXWNYXNI-INIZCTEOSA-N 472.328 5.327 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1Cl 916937651 DVZMJPWPHXTUNU-KRWDZBQOSA-N 482.924 5.158 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995631 AKTHMQYJEIXMCH-KRWDZBQOSA-N 486.380 6.033 30 20 JKED Cc1oc(-c2ccccc2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995754 HBTFMWPOHQCGKV-QGZVFWFLSA-N 468.365 6.499 30 20 JKED COc1cccc(COc2cccc(Cl)c2C=Nn2cnc3sc(C)c(C)c3c2=O)c1 917535569 BEFLOKJITSBNGM-UHFFFAOYSA-N 453.951 5.198 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(C)s2)C1=O 917664208 LHCGFTZJGSXJOF-NRFANRHFSA-N 483.590 5.365 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3ccnc(C)n3)C2=O)cc1 917666344 QTOYBPDBCSGRBD-QFIPXVFZSA-N 494.020 5.216 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c1 917677561 UORSYBHIMQNTDF-DEOSSOPVSA-N 486.572 5.475 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)(C)C)CC2)cc1F 917687252 PZZMYAPKJPZPGU-HSZRJFAPSA-N 496.652 5.357 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 918297616 LHIFBLWBMACSMA-GGAORHGYSA-N 466.566 5.254 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 918544000 AMXKUFBFINYAMR-PCRNYRQLSA-N 489.041 5.302 30 20 JKED C[C@@H](OC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 919295837 CZHWJLVQOCNDID-CQSZACIVSA-N 492.944 5.077 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 919667538 XYXCFTVRRYKNQH-FQEVSTJZSA-N 499.350 5.551 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)n2)cc1 920138858 LFXGKVCNLSSMET-LJQANCHMSA-N 465.987 6.015 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3c(C)noc3C)C2=O)cc1 920353699 QBZDZUXDTZDBPH-QHCPKHFHSA-N 476.602 5.377 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)c(F)c2)C1=O)Nc1ccccc1F 920357184 WDVNWBJVCSSYLX-OAQYLSRUSA-N 469.488 5.264 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3cc(C)on3)C2=O)cc1 920357546 YHXDIPHCZCJZDZ-HXUWFJFHSA-N 486.956 5.244 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cc(C)on2)c1 920358138 YQNVEBIUEIMGJB-JOCHJYFZSA-N 462.575 5.014 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=Nn2c(S)nnc2-c2cccs2)cs1 920366052 KFXMCYDPVYBFNE-UHFFFAOYSA-N 494.549 5.337 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc3c(c2)CCC3)cc1 920394663 QZVQVSOAZLXINS-UHFFFAOYSA-O 486.661 5.755 30 20 JKED N#C[C@H](C(=O)CCSc1ccccc1Br)c1nc(-c2c(F)cccc2F)cs1 920805760 FTYVDXHIMXGDTM-GFCCVEGCSA-N 479.371 6.209 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)o2)n1 921253697 UJEYAWYWOFATLF-LSDHHAIUSA-N 472.661 5.683 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]21 1784027310 NTJUEMMNLDIRHH-FRSZPWEOSA-N 499.095 5.362 30 20 JKED Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)cc1 1786308926 VQXICRZTRVHGOM-PGRDOPGGSA-N 497.661 5.013 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1 1786330739 HNNJAJJYKWMPDR-RRPNLBNLSA-N 479.580 5.313 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786576476 OGPLWGFXABDGIB-HSZRJFAPSA-N 481.637 5.104 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(Br)cccc5n4)CCC3)cc2)CC1 1787881696 SOUHGWMLCTYWIX-UHFFFAOYSA-N 489.373 5.049 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3cccc(C)c3)cc2)CCC1 1788358725 NXVDHQJQONSOBZ-NRFANRHFSA-N 484.600 5.606 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)nc2ccccn12 1788933665 MECQZPNLEPTHEH-LJQANCHMSA-N 477.568 5.331 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cc4cccnc4[nH]3)cc2)CCC1)c1ccc(O)cc1 1789318236 YNMQSECGTYXGNK-OAQYLSRUSA-N 492.579 5.213 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)cc(Cl)n4)cc3)CCC2)cc1 1789907282 DJRSGNKZXQREOU-UHFFFAOYSA-N 479.367 5.516 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)C45CC(C(F)(F)F)(C4)C5)CCC3)cc2)c1 1790072840 JTYDPQWWESIZDE-UHFFFAOYSA-N 483.490 5.047 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cccc(C)c5[nH]4)CCC3)cc2)c(C#N)c1 1790473047 MPNBGVUTBCZFNE-UHFFFAOYSA-N 492.579 5.347 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)cc2)CCC1 1790843406 BDTAEGTVBYDBII-MRXNPFEDSA-N 470.495 5.313 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CC(C)(C)C3)cc2)CCC1 1791649976 OWRHCMNYQSACBB-HSZRJFAPSA-N 495.664 5.254 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4Cc5ccccc5CN4C)CCC3)cc2)c1 1792122462 AQXLZRRLBQWEHZ-RBTNQOKQSA-N 492.623 5.118 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800010920 OIMLPDZFLZGOHR-CBHOWOPOSA-N 454.014 5.092 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)[C@@H]1c1cccnc1 1802492639 QHAZKQBOGLNLAQ-WIOPSUGQSA-N 472.589 5.049 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1802995718 UPWCRDKETLYARO-VKRWFFHBSA-N 491.701 5.453 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1 1804176412 PLFKCIOENYZPHA-IGKIAQTJSA-N 491.701 5.217 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3cccc(Br)c3F)C2)CC1 1805654601 FVTQEBLLZVEPBJ-UHFFFAOYSA-N 493.461 5.354 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)C1 1806067723 WNQCUXPNBCJSLN-DEOSSOPVSA-N 479.646 5.227 30 20 JKED O=C(CC1CCCC1)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1806195509 ABBUCUYBGNUSEK-SMCANUKXSA-N 491.635 5.381 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1810181999 NLTLDZLGIWPHKE-FHAGJXEFSA-N 477.008 5.304 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1811946120 CEUHBEMKYJASAL-BWKNWUBXSA-N 481.612 5.320 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1811946121 CEUHBEMKYJASAL-OFVILXPXSA-N 481.612 5.320 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(C)s2)[C@H]1c1cccnc1 1813369755 BYLVCFLBHCQMNB-LSCLZPPHSA-N 451.636 5.163 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(F)cc2C)[C@@H]1c1cccnc1)c1ccccc1 1813987083 WIHBUHFVMYGTLU-KGPYPHOUSA-N 483.587 5.046 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(Br)ccc4s3)[nH]n2)C1 1814394971 FDLSDBNCPQYWJY-GOSISDBHSA-N 499.434 5.659 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(F)c(F)c3)n[nH]2)c1 1814665168 NFICSFOENLGBDL-XDHUDOTRSA-N 491.542 5.254 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c1 1814741053 YUWJWKBIEFFPCX-NRFANRHFSA-N 479.943 5.013 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CC(C(F)(F)F)(C3)C4)n[nH]2)c1 1815346084 LVRWDIKGTVBNLJ-SMNKOMBISA-N 485.510 5.075 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1817099752 QKZLKCPFVVQDLJ-OAHLLOKOSA-N 480.384 5.216 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccnn3C)c(Cl)s2)n[nH]1 1817773466 CEZGAVHHHBZIKE-KSSFIOAISA-N 487.029 5.043 30 20 JKED CCC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)n1cccc1 1818059654 HFZWUMAJXSCPLB-NHCUHLMSSA-N 478.984 5.084 30 20 JKED Cc1cccc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)[nH]c12 1819000975 UQXOPCKXTSJAMA-OXQOHEQNSA-N 483.597 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1819309143 NCFLZYXUVAWNLP-QUCCMNQESA-N 469.655 5.673 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1C 1819386229 DCGRQTQEDOIDOS-QHCPKHFHSA-N 494.712 5.013 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)n[nH]2)C1 1820080284 NIMVLNPTDDCQEJ-VWLOTQADSA-N 479.584 5.602 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[nH]n2)cc1 1820549892 VFMCAKSKSRBICG-XJUOHMSHSA-N 473.964 5.044 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1)NC(=O)OC(C)(C)C 1820806977 GBSYQDZNTKRSJG-TZIWHRDSSA-N 487.645 5.008 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)[nH]n2)cc1 1821181569 MWRYUQLRLZRIOC-NFBKMPQASA-N 487.991 5.165 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)cc(C(C)C)c2)n[nH]1 1821333859 IDTAATKPWLCVSG-LJQANCHMSA-N 459.388 5.178 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)n[nH]2)cc1 1821849491 TXQXIUHBMBFEFV-QFIPXVFZSA-N 495.505 5.043 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1823214357 CFMVWZWFAQQJOA-GBXCKJPGSA-N 489.696 5.394 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1cc(F)ccc1C(F)(F)F 1823301938 SGBNVXBTCDAXKX-OAHLLOKOSA-N 480.384 5.216 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)c3ccccc3o2)CC1 1823991686 MRHNMIKNOQFIFC-JOCHJYFZSA-N 464.606 5.019 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 1824054535 YKUWOSDMJTZELP-XMMPIXPASA-N 481.999 5.217 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1 1824329990 TZTCAVAOQJZYSJ-HSZRJFAPSA-N 480.716 5.483 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c1 1825034853 OUZVXYONGNHTSW-FDDCHVKYSA-N 484.065 5.505 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)CC1 1825687080 IKFZWBPPWSVZAQ-RTWAWAEBSA-N 463.544 5.102 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1)c1ccccc1 1826668942 BVUICMCQVBLDFE-XZOQPEGZSA-N 462.556 5.146 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1827545313 HZYDUWFZNCDSLB-YFNKSVMNSA-N 491.717 5.148 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2F)CC1 1828453505 IWQBTWSTXNWTEK-RSXGOPAZSA-N 470.629 5.155 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)c1Cl 1829692603 KQRCJISIGLTRRF-QFIPXVFZSA-N 454.014 5.025 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2CC)CC1)c1ccccc1 1829852630 NWDVOIJUDGLSLF-NOZRDPDXSA-N 477.674 5.136 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3F)CC2)c1 1830083911 BAVFRSTWUSDHPJ-UUOWRZLLSA-N 465.544 5.139 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)c1 1830116199 GLSDNOMDLZELJI-SANMLTNESA-N 482.741 5.288 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1830392032 ASFFUMGLCAENMR-GOTSBHOMSA-N 491.717 5.292 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)cc1 1830631639 KUGZECOAGXOMAU-JOCHJYFZSA-N 485.415 5.002 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1830632206 DPIXOPKCJJVRSO-LJAQVGFWSA-N 492.623 5.362 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccoc3)CC2)cc(C(F)(F)F)c1 1830754864 BULDURALQKTMJI-QHCPKHFHSA-N 487.522 5.036 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3ccc(Br)cc23)CC1 1830827809 WREYNQQAGYTMRJ-MHECFPHRSA-N 498.465 5.443 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1)C(F)(F)F 1831451356 RSYZXFWJBKNIPI-HXUWFJFHSA-N 495.929 5.347 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F 1831451600 XPOYUZFTLVKHBP-INIZCTEOSA-N 497.867 5.106 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)cc2C)CC1)C(F)(F)F 1831453374 SFGQOEYDZNQEPL-LJQANCHMSA-N 487.360 5.109 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c(F)c1F 1832611870 MNOMHWMFPMWEQF-XMMPIXPASA-N 479.571 5.011 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1832632755 BNWHMDOXKJYLTM-SPEYYTFGSA-N 463.666 5.763 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)CC1 1832827766 AXCKFGIVCDEHKW-MHZLTWQESA-N 460.593 5.063 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)CC1 1838221687 UHQWAGDUNCZDMX-QFIPXVFZSA-N 484.040 5.202 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc2c1=O 3478060 SYALGUVWWVBCGI-UHFFFAOYSA-N 457.580 5.504 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(CC)cc2)c1C 10168341 MLXSHFZDUGFGKG-UHFFFAOYSA-O 478.638 5.326 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccccc1 11056557 HAWZPMNZHRPESD-UHFFFAOYSA-N 458.587 5.044 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)N(CCC#N)c4cc(C)cc(C)c4)cc3)o2)cc1 16287911 APRKRKHKGKSHTE-UHFFFAOYSA-N 494.551 5.433 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1ccoc1C 21925139 WSAGYFVFWBMKIB-UHFFFAOYSA-N 474.542 5.671 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(CC)CC)cc2)cc1 22732165 HYDPMBHKWKCNKM-UHFFFAOYSA-O 479.641 6.775 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1sc2cc(F)ccc2c1Cl 22932467 ZMYNVZJHYSXWCL-ZDUSSCGKSA-N 460.914 5.195 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nnc1-c1ccoc1C 23592443 QVGKDSBHFXIRAI-OAHLLOKOSA-N 475.599 5.851 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23604042 MOPIEIGPGIZKRI-UHFFFAOYSA-O 458.582 5.700 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccccc2)c1C 28793841 PGEZFEBEGMSDIB-UHFFFAOYSA-O 455.003 5.443 30 20 JKED C[C@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C(=O)N(CCC#N)c1ccc(F)cc1 31755740 VIPRYUBSQNJWAM-AWEZNQCLSA-N 496.564 5.357 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCCC)c1 36822050 SOSQWFXVJOUZMO-UHFFFAOYSA-N 485.005 5.762 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)nnc1-c1ccco1 45643467 RZEIPVXYIWVPBC-QHCPKHFHSA-N 499.596 5.203 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)n1 71833747 PMYWQIVKSIEGQZ-UHFFFAOYSA-N 457.481 5.074 30 20 JKED CC[C@H]1CCc2sc(-c3nnc(SCCC(=O)Nc4ccccc4C#N)n3C)cc2C1 252018939 XDIOPUJUSDOPPJ-HNNXBMFYSA-N 451.621 5.051 30 20 JKED C=CCn1c(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1-c1cccnc1 302986013 VCLXXDWTHDMXGY-UHFFFAOYSA-N 473.005 5.870 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 303218297 UHKHJUGYCPQHHU-UHFFFAOYSA-N 467.550 6.012 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)c2)c1 483445761 YKXPXFFZIJFXCU-UHFFFAOYSA-N 484.515 6.385 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 484628770 JEIKJKHBMWYXIZ-UHFFFAOYSA-N 454.313 5.254 30 20 JKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)CC1 491512809 GGANLICVJIMPFY-HSZRJFAPSA-N 481.040 5.766 30 20 JKED CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)cc2s1 491761826 ZTWFIHLILCZECT-UHFFFAOYSA-N 451.577 5.153 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1CC1 498320216 UOZCQWYHXREJSB-INIZCTEOSA-N 464.509 5.149 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2c(F)cccc2F)nnc1-c1ccc(Cl)cc1 499409564 UXMSBYKOPWEIPY-AWEZNQCLSA-N 462.953 5.374 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)n2)cc1 499576878 RGYWTOURKCCICR-MRXNPFEDSA-N 465.416 5.241 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1cccc(Cl)c1 501609603 UURTVPIHEZUVLJ-UHFFFAOYSA-N 453.999 5.274 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc([C@@H](C)CC)cc2)c2cccs2)cc1 502961778 LPWNCWNJUMJGDR-UUOWRZLLSA-N 475.614 5.022 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nnc1-c1ccccc1F 503739181 OGDNFPWIKFVUSW-GOSISDBHSA-N 450.583 5.190 30 20 JKED CCN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)[C@H](C)c1ccc(C#N)cc1 509560780 PBIGXFGNALQJLN-CCQQXMDGSA-N 496.592 6.617 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 510666960 ONBHNDFGPINAEW-UHFFFAOYSA-N 462.500 5.415 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2n1C(F)F 510978879 BKRGYYWZMHQCOH-LJQANCHMSA-N 451.860 6.154 30 20 JKED CN(C(=O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1)c1cccc(C#N)c1 517733418 NBHMNPVREMWWKG-UHFFFAOYSA-N 497.576 5.215 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cc4)CC3)c2c1 519078557 ZKARNISZQUCVMN-UHFFFAOYSA-N 494.551 5.185 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(OC)c1 519422639 BSJYZZYOBOGBKA-IBGZPJMESA-N 499.636 6.675 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(I)c(Br)c2)cc1 519456668 PHDRGTPRRVSFNR-UHFFFAOYSA-N 499.146 5.013 30 20 JKED COc1ccc(C(=O)CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 520513811 SYTGJNMSGKUQEU-NRFANRHFSA-N 462.933 5.614 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)cc2Cl)cc1 520947106 DTUUCIUWFXTNBP-RPWUZVMVSA-N 493.922 5.118 30 20 JKED CCCOc1c(Br)cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OC 521725349 ACIOTPMICLPBKK-CQSZACIVSA-N 463.397 5.751 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1 522872989 YPWUJZZBSHYKJE-UHFFFAOYSA-N 482.515 5.980 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1 523349826 AGFQVDQAYMAAND-UHFFFAOYSA-N 460.509 5.149 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590614167 ZOPFEBRMBAEBCS-UHFFFAOYSA-N 478.505 5.664 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C(C)C)n2Cc2ccco2)n(-c2ccccc2)c1C 590665422 URGFDPDHALGIOY-UHFFFAOYSA-N 474.590 5.053 30 20 JKED Cc1cccn2cc(COc3ccccc3C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)nc12 591311172 QYRTWEIAOFRQHK-UHFFFAOYSA-N 465.538 5.469 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)CC1 603460808 QNZIWJIWTAVOSL-HTXNQAPBSA-N 477.593 5.012 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CC2)cc1 603652576 IHQRLBZJFDAQQK-UHFFFAOYSA-N 460.965 5.744 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 604100773 RFGAPJWNJQNUJG-UHFFFAOYSA-N 452.392 5.686 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cn2)c1 604288779 QVYITXJRJIXENZ-OKILXGFUSA-N 458.362 5.340 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)cc2Cl)c1 609062257 JOGNWVYPVJXWCS-UHFFFAOYSA-N 487.987 5.849 30 20 JKED COc1cc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(OC)c1OC 609063086 WLICJFGPZCVDQB-UHFFFAOYSA-N 480.948 5.388 30 20 JKED COC(=O)c1cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)oc1C 609080955 XQVJKORVJMMLRZ-UHFFFAOYSA-N 467.909 5.143 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609175985 TTZUJQPHIGTZRZ-XMMPIXPASA-N 459.571 5.149 30 20 JKED Cc1nnc(SCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1Cc1ccccc1 609176813 UXRSGLHJMHTNKN-UHFFFAOYSA-N 455.543 5.030 30 20 JKED COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC(Oc2cccc(C#N)c2)CC1 609195542 QRAXHUKKVLNEIU-MHZLTWQESA-N 455.558 5.099 30 20 JKED N#C[C@H](C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1nc2cc(Cl)ccc2s1 613404026 YPYYYRSBNDTTEA-MRXNPFEDSA-N 454.338 5.303 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(C)=O)c(SC)c2)nc2sc3c(c2c1=O)CCCC3 613900706 YYWWVKITEJQUAA-UHFFFAOYSA-N 499.683 5.178 30 20 JKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539867 VXODAUAQVFVCJX-VXGBXAGGSA-N 466.344 6.089 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3Cl)nc3ccccc3c2=O)cc1 619561855 AWVOAHVOLCFABI-UHFFFAOYSA-N 481.364 5.295 30 20 JKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(OCC(F)(F)C(F)F)nc1 622589520 KYYSFMMAWUOLBJ-SFHVURJKSA-N 494.407 5.277 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C(CC)CC)C2CC2)c1 642516711 WCMCEFSYBPUXCS-UHFFFAOYSA-N 461.027 5.515 30 20 JKED C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nnc1-c1ccc(F)cc1 669909993 ATTPVNSCRYXXST-UHFFFAOYSA-N 453.568 5.152 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 726322668 ZFALKMKTJCXDAM-BTYIYWSLSA-N 485.531 6.232 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)c1 726398545 URNZGCFCFPFABS-NRFANRHFSA-N 499.589 5.065 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)Cc2ccco2)cc1F 726411022 KCKCSZPNJICBDZ-ZHRRBRCNSA-N 481.549 5.019 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)c1 726414310 ZNNJHJBUGOTPDQ-NLFFAJNJSA-N 482.609 5.401 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@@H](C)c1cccs1 726421429 MZWIUYWTFITQCT-HQCDIWLZSA-N 467.538 5.343 30 20 JKED Cc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Cl)cc2Cl)cc1 726572295 UYDSATGGERSXKA-UHFFFAOYSA-O 459.378 5.096 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3\CCc4sccc4C3=O)cc2OC)cc1 726894218 WMCRUBMVHCYPPA-NBVRZTHBSA-N 463.555 5.385 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)cc1 726940539 NILMXPZNMZQHHU-UHFFFAOYSA-N 476.374 5.499 30 20 JKED Brc1ccc(-c2nc(CON=Cc3cccc(OCc4ccncc4)c3)co2)cc1 727434146 INKQHLLGBGOJCB-UHFFFAOYSA-N 464.319 5.629 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(C)n1-c1ccc(C#N)cc1 728372467 NDMRQODTSDHZED-UHFFFAOYSA-N 498.564 5.075 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(CCCCC#N)C2=O)cc1Cl 728779778 LAYQQFRQZQSNIV-HXUWFJFHSA-N 490.963 5.581 30 20 JKED C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2)C(=O)N(C)CCC#N 728982111 REIRVWMIOXVIBN-FXBHHXAOSA-N 459.571 5.091 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1csc(-c2ccccc2)n1 730583373 FDTDEWBTIHYTFU-UHFFFAOYSA-N 462.387 5.458 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 730942925 ZFJCMHJHOLTODT-SBUREZEXSA-N 491.592 5.008 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](C)c2cccnc2)C1=O 730943887 MKMWPZDTTAHIKU-HTAPYJJXSA-N 479.005 5.765 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)sc2nc(C(F)(F)F)ccc12 731071078 ORWPRZPLQUCLHF-LBPRGKRZSA-N 493.532 5.671 30 20 JKED Cc1ccc(-n2ncc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c2C(C)C)cc1 731073385 INUOPJVQZSAIOW-LJQANCHMSA-N 476.602 5.351 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 731076202 ZKQDAKZWNDPWEF-FQEVSTJZSA-N 496.592 5.587 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 731115022 YYMCNCTVGUCMFQ-NQIIRXRSSA-N 472.655 5.582 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccsc1)c1cccs1 731313356 YNRLOXDQOJCLOP-BHARLODGSA-N 471.629 5.105 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 731399868 HMRANDLDRFTFCM-RXVVDRJESA-N 472.655 5.724 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)no1 745823010 OJRODUQRNXPPMT-UHFFFAOYSA-N 460.509 5.530 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCc3nccs3)C2=O)c1 747599531 KDIUEMXYKPFSLP-HXUWFJFHSA-N 482.606 5.102 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnc(-c2ccccc2Cl)s1 748003898 LOIMXAFAOLOUKL-CQSZACIVSA-N 450.734 5.731 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 749360881 JWFYPXAJCGLXRF-UHFFFAOYSA-N 451.486 5.157 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 750687739 DIUZYQBRPVIXON-APTRMMRNSA-N 462.594 5.499 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(F)c1 799222513 AMIVSDPMAVBASK-QGZVFWFLSA-N 464.349 5.034 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)cc1F 799222727 GTQFMPACGXWHHJ-MRXNPFEDSA-N 473.879 5.310 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1C 813361848 DWJNLINFOKCTEF-UHFFFAOYSA-N 486.503 5.058 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccc(Cl)cc1 855475576 QGDDBJRVSWEORD-KRWDZBQOSA-N 468.026 5.504 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc(C3(OC)CCCC3)no2)ccc1Cl 904833091 CZXDXFCESGMJQB-UHFFFAOYSA-N 473.982 5.187 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(-c2nc(CCC(F)(F)F)no2)c1 904869406 VPBBBLBQIJNQNS-UHFFFAOYSA-N 471.888 5.266 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2SCc2c(C)noc2C)cc1 912497796 MFCSMQMGFXEDQN-HXUWFJFHSA-N 477.586 5.384 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@H](c2ccccc2)C2CC2)C1=O 914553519 CONXHFSRDDHGSE-UYAOXDASSA-N 462.402 5.212 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)F)cc2)c(C)s1 914694329 HMRQSSJLEBNODU-YJYMSZOUSA-N 493.601 5.328 30 20 JKED N#C[C@H](C(=O)CCCc1nc(O)c2ccccc2n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103191 QQZVWZNQODKDMD-MRXNPFEDSA-N 483.380 5.965 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cc(-c2cccnc2)on1 915830037 MUUROFSRUBWPAD-HSZRJFAPSA-N 485.525 5.571 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cnc(N2CCCC2)nc1)C(=O)c1ccccc1 915987580 HGDSQKOYOIOJOW-JJIBRWJFSA-N 454.574 5.107 30 20 JKED CCCN1C(=S)N[C@H](c2ccc(C#N)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916168827 MECVAZGNGNWGKQ-HXUWFJFHSA-N 458.509 5.131 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(OC)c1 916205098 FKLXPEVLGNOBRN-LJQANCHMSA-N 479.524 5.474 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccco2)C1=O 916211943 HOGQGQZJKIXAOY-QHCPKHFHSA-N 477.586 5.537 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(C)cc1 916212234 LMBQOENLZNNGFI-HSZRJFAPSA-N 461.587 5.145 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 916213265 CKHSSBKLOAGOPH-APWZRJJASA-N 478.401 5.133 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1Cc1ccco1 916215167 DZXTVMKCQYVXMS-FQEVSTJZSA-N 487.503 5.767 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(F)(F)F)c1 916216959 AAMFLUWGVWBZHT-LJQANCHMSA-N 475.492 5.054 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccccn1 916217879 XWVVSJBVXYFJLU-JOCHJYFZSA-N 476.577 5.041 30 20 JKED CC(=O)N(c1nc(C=NNC(=S)Nc2cccc(Cl)c2C)cs1)c1ccc(F)cc1F 916298325 DMRSPXDFFWXSNP-UHFFFAOYSA-N 479.965 5.388 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 916546483 TXVJDMFEILJNGM-UHFFFAOYSA-N 471.977 5.354 30 20 JKED COc1cc(/C=C\C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1OCc1c(C)noc1C 916703876 RFCPYZMPKXVOLH-LUAWRHEFSA-N 499.489 5.355 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2C)cc1 916848023 YOTFFGJPCJMVLS-FQEVSTJZSA-N 472.570 5.182 30 20 JKED Cc1cccc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c(Cl)c12 916906051 BGSFIBCZHSULLF-KRWDZBQOSA-N 460.942 6.617 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1 916907781 NKSYIPWMJDJEGQ-QFIPXVFZSA-N 463.628 5.830 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 916913346 PVHUZRQTSMHJER-QGZVFWFLSA-N 466.544 5.035 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1Cl 916941249 QWHYVSAVWXPVOQ-NBEHIINDSA-N 471.365 6.091 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)cc1 916941787 CLUYMXFOABLJPO-HXUWFJFHSA-N 485.565 5.204 30 20 JKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCCC1)c1nc2ccccc2n1C(F)F 917041818 XKRMDQTUGRXJSC-MRXNPFEDSA-N 458.306 5.882 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1 917046914 VXYSYJGJRALEPK-KRWDZBQOSA-N 453.976 5.891 30 20 JKED C#CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 917503659 QUBLJEIALJMVCL-QFIPXVFZSA-N 450.325 5.445 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)OCO3)cc1 917612504 VFQFQCRITLUGJJ-UHFFFAOYSA-O 472.590 5.801 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCO[C@H]2CCCC[C@H]2C)C1=O 917675510 MCTZBNCIGNZCEO-UCFCWBNQSA-N 495.645 5.251 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc([N+](=O)[O-])cc2)cc1 917683482 XNYZOSKGWQQYFE-QFIPXVFZSA-N 474.542 5.064 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1C 919904384 JUICZWUMRMXNGS-AREMUKBSSA-N 463.585 6.117 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2c[nH]cc2-c2cnn(-c3ccccc3)c2)n(C2CCCC2)c1C 920601094 DKBZTSVJZOXYFD-UHFFFAOYSA-N 496.571 5.068 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc(-c2c(F)cccc2F)cs1 920804080 KPEVUHXFPOREFG-CQSZACIVSA-N 453.445 5.691 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C(=O)Nc2ccccc2F)C(C)C)cc1C 920892392 MEPKPXKUIHFNDH-DEOSSOPVSA-N 462.525 5.040 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)cc1 1785795999 NYZRSQGEVOEMEN-UHFFFAOYSA-N 468.582 5.482 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)CC1 1785934875 HNYUDBFUYOKZLN-HXUWFJFHSA-N 496.652 5.098 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1785936659 CUNNLYYVMTYZQH-UHFFFAOYSA-N 466.541 5.725 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CCCOc3cccc(Br)c3)cc2)CCC1 1786308770 SABBPDOHKIPQTA-UHFFFAOYSA-N 471.395 5.318 30 20 JKED CC(C)N1CCC(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)CC1 1786667393 UOPATJVOZDIYOD-UHFFFAOYSA-N 479.024 5.080 30 20 JKED COc1cc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)ccn1 1786732656 NWAWBMKSKSJSHB-HXUWFJFHSA-N 482.584 5.098 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)noc3C)cc2)CCC1 1787266739 ZAFOTHSHLOIYBD-UHFFFAOYSA-N 473.573 5.381 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)COC5)cc3)CCC2)c1Cl 1789035207 DDCJVEXARRPBKE-UHFFFAOYSA-N 471.944 5.303 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(NC(=O)OC)c3)CCC2)cc1 1789456955 ZWWPRPCHSKRIIQ-QHCPKHFHSA-N 461.562 5.381 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cccc4ccccc34)CCC2)cc1 1789513216 UAALFNSBKVSUNQ-ZTKZIYFRSA-N 454.574 5.059 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)ccc1CNC(=O)OC(C)(C)C 1790066108 XBQSFTDZEQGZLT-UHFFFAOYSA-N 490.604 5.071 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)Cc3cc(Br)ccc3O)cc2)CCC1 1790479898 SMOWBQLCWHOJCJ-UHFFFAOYSA-N 483.406 5.025 30 20 JKED C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1)Oc1ccccc1 1790836641 UTMHEVXYOCHBIF-IBGZPJMESA-N 493.567 5.040 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@H]3CCc4cccc(Cl)c43)cc2)CCC1 1791141619 TTXCOVQGBBNJGM-ZMRKYAEKSA-N 475.976 5.216 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791252352 OYINGGZTGAKXOB-MIZPHKNDSA-N 483.653 5.416 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)CCC2)cc1 1791295911 BMHFAWRXCSTUKA-FCHUYYIVSA-N 454.517 5.144 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1792303024 MLFAXTXLSYGVKD-UEVCKROQSA-N 481.637 5.192 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2)c1ccccc1 1798559660 QQJRKYPKIGPDOD-JHXGOWNISA-N 474.567 5.191 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3sc4ccccc4c3Cl)[C@H]2c2cccnc2)C1 1802407181 LNSMYMAXIUJRQO-JTSKRJEESA-N 466.006 5.236 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2Cl)N(C)C)[C@H]1c1cccnc1 1802500136 KSFHWFVPYJVCOA-GVXSCFBNSA-N 497.083 5.036 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1802501481 YPDUNAFGTMNPDB-RRPNLBNLSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1803219126 XJSNAYVZSZPJIT-JVYGEBFASA-N 459.634 5.296 30 20 JKED O=C(/C=C/C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1)c1cccs1 1808974410 HBQHONRZMDXAMG-FXKPEZSLSA-N 495.604 5.055 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccccc4C(F)(F)F)C3)CC2)c1 1809236152 MCYGFVDPGIALDI-FQEVSTJZSA-N 497.561 5.420 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1810175306 VDMDAUDBFSTDRK-PIRIWWGTSA-N 495.623 5.962 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)[C@@H]1c1cccnc1 1810175604 MBVPQYZOJZGLER-TWJOJJKGSA-N 459.634 5.125 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)cc2C)[C@H]1c1cccnc1)c1ccccc1 1810446275 BABNIAQHGNGIQZ-KGPYPHOUSA-N 483.587 5.046 30 20 JKED CCC[C@H](C(=O)N1CCCC2(CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)C1)n1cccc1 1810939097 NIURYENTDBXNIH-XMMPIXPASA-N 469.746 5.112 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1811858035 IQEDUNSYBLDDGS-SHQCIBLASA-N 488.676 5.384 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccc(C)cc4s3)[C@H]2c2cccnc2)c1 1812221245 FOSXWXMRDVVHOO-YIXXDRMTSA-N 494.620 5.418 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)[C@@H]1c1cccnc1 1812429710 WDRUIMSWXVMSSF-XNFLFYSQSA-N 490.692 5.019 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4occc4n3-c3ccccc3)[nH]n2)C1 1814397310 WISBURDGIOTRIA-NRFANRHFSA-N 469.545 5.219 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)[nH]n1 1814443194 PEUWSALSASTGEH-HXUWFJFHSA-N 464.566 5.468 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)[nH]n1 1814443323 SNTKNYOWXKNZCI-HSZRJFAPSA-N 499.619 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(OC)c2Cl)n[nH]1 1814611677 RMVRVGQPIKVPAK-GOSISDBHSA-N 489.016 5.379 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)[nH]n1 1814824377 FSYRZAMPGVIYTR-SFHVURJKSA-N 462.381 5.186 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)[nH]n1 1814827422 SGUJVINKSYCPEV-HXUWFJFHSA-N 476.606 5.003 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)[nH]n1 1814828989 MAKNCHURTZWRKI-KRWDZBQOSA-N 462.381 5.186 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)[nH]n1 1815652284 MYXLBSPLTWQQQZ-FQEVSTJZSA-N 494.583 5.363 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3ccc4ccccc4c3)n[nH]2)CC1 1817772164 DAZPOJDZTYKFHB-DEOSSOPVSA-N 490.567 5.235 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)n[nH]1 1818596607 RSPNXBQXJTWUGI-OAQYLSRUSA-N 469.536 5.468 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1 1818706314 PDMZKXJUQHFBFZ-QFIPXVFZSA-N 476.653 5.513 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1819305486 UVDXIXKSYJFAKP-UKILVPOCSA-N 456.590 5.566 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1819308141 WXPJKAUARYNPLA-NFBKMPQASA-N 497.599 6.225 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)[nH]n1 1819311191 PJHJFZMSJGPVGJ-PZJWPPBQSA-N 456.974 5.146 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)c21 1819384853 BJWCFMWQPPQJIZ-QHCPKHFHSA-N 489.696 5.258 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cc2cc[nH]c2cc1F 1820200782 RVSZMBKFOQUPPJ-QHCPKHFHSA-N 489.938 5.041 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccccc3Br)CC2)n[nH]1 1820947011 ZUBKUBJFQSHYEM-OAQYLSRUSA-N 497.437 5.090 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)cc1 1821119343 RRYROXVOUITJJG-OAQYLSRUSA-N 479.943 5.013 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)n[nH]1 1821148820 JMIUXZQDOSGMAC-JOCHJYFZSA-N 450.583 5.087 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccc(C2CC2)cc1 1821302509 GPGZYHFRGYXREL-JNCYCUAHSA-N 474.586 5.094 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821569163 FMHQLMLWYGKKHB-BTYIYWSLSA-N 451.958 5.129 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)ccc2[nH]1 1821584239 ISWSKRHOGQDENJ-DEOSSOPVSA-N 489.696 5.556 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3n2)[nH]n1 1821920384 HATGRRZWFCBPEZ-YCRPNKLZSA-N 496.409 5.239 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)[nH]n1 1822393072 IKWPPVIWEVYODC-DEOSSOPVSA-N 472.589 5.216 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(O)ccc3n2)CC1 1823752473 UUJICDCXIQLJPN-RUZDIDTESA-N 463.622 5.166 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824138302 ZCZPLVJVZDAMLA-QHCPKHFHSA-N 488.028 5.179 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1824144088 ZEVKNUZYYMQOBI-AREMUKBSSA-N 460.622 5.078 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824226122 JRRQBRVLVVVYGS-SQHAQQRYSA-N 477.649 5.107 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1824500838 DOCTXEXFUZYDSY-UBFVSLLYSA-N 473.057 5.046 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1824511360 DJJNPKSARKVXMR-YOSAUDMPSA-N 494.598 5.106 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1824513299 YRHBVGUXTQCXEN-IERDGZPVSA-N 486.962 5.183 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1 1827410436 ORISCZOMQRCJBF-QFIPXVFZSA-N 484.738 5.779 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(-c3ccccc3)ns2)CC1 1828825426 VUYZIKNKKYTARG-PKTZIBPZSA-N 478.662 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1828829222 FZQQRCZIDWKRON-CLJLJLNGSA-N 477.649 5.347 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1829066697 SBHRZOQLRIWISK-VSOVPVGVSA-N 491.676 5.802 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(F)c3F)CC2)c1 1830780543 XUJZAIIXWNRIQO-DEOSSOPVSA-N 465.544 5.000 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1830787554 GYBDXQVQAGOEKU-AJTFRIOCSA-N 487.644 5.486 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831306850 KSFHYRVRJRPJIY-FDDCHVKYSA-N 481.464 5.137 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1831446369 HXDFUARREZFYRJ-QFIPXVFZSA-N 490.982 5.175 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2C)CC1 1831860521 RYROJLNHJLQAQX-NRFANRHFSA-N 472.427 5.048 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1832635499 HZBZTNMCAQLJGX-YICOQCBLSA-N 476.646 5.025 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)CC1 1832655923 ZABDABZLXNIHJA-HSZRJFAPSA-N 459.030 5.350 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)CC1 1836698206 YAOSGGOJMXXZEP-UHFFFAOYSA-N 496.545 5.225 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1)c1ccccc1 1838416932 XZSSNUSPUHBCRO-HHHXNRCGSA-N 493.047 5.149 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4c(F)cccc4Cl)CC3)CC2)c1 1838572320 IKNIWECYLYKIRT-GOSISDBHSA-N 497.998 5.032 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)cc(C(C)C)c1 1847532553 YXIHVMYOMRIZMA-VXKWHMMOSA-N 459.428 5.156 30 20 JKED Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1Cl 9809691 OIVYIPVCMOKBIQ-UHFFFAOYSA-N 458.012 5.068 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc3ccccc3c2)c1 21137439 OQJXSGFOCYDNIP-UHFFFAOYSA-N 477.973 5.522 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 21140608 GITAGJCBYDGNAZ-SBUREZEXSA-N 472.570 5.249 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c1 22729651 SKGJUNVRPDWXGX-UHFFFAOYSA-O 453.578 6.218 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NCCc2ccccc2)cc1 22734824 LJZOVIJFIKDRLF-UHFFFAOYSA-O 486.488 6.350 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccc(OC)cc1 23554318 SXEHYJQLPRRNSS-ZWKOTPCHSA-N 450.608 5.773 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(Cl)cc1 23583417 FDEJQBNAPIFSBI-UHFFFAOYSA-N 491.400 5.020 30 20 JKED Cc1occc1-c1nnc(SCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1-c1ccccc1 24014102 KWCRPLDZAVVJJK-UHFFFAOYSA-N 496.514 5.115 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)o2)cc1 24509951 UIBZAWZNGHTWMT-UHFFFAOYSA-N 475.549 5.253 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3c(C)nc4sc(C)cn34)cc2)cc1 28621287 VIVHKHXGONKJSK-OUKQBFOZSA-N 451.573 5.018 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 72074651 PCNCWKABMLUAAR-AWEZNQCLSA-N 456.329 6.105 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C(N)=O)cc3)n2)nc2sc3c(c2c1=O)CCCC3 108756463 BQALPJKXSHZXAC-UHFFFAOYSA-N 494.667 5.038 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)c1nc(-c2ccccc2)cs1 247778944 ZRZJZBFQMRZFLL-LJQANCHMSA-N 484.631 6.450 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2-c2nc3ccccc3s2)CC1 303003176 YWGUZBPPFFNRNO-UHFFFAOYSA-N 495.564 5.938 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c1 479867223 VOLHCDFJAQKXQE-VQTJNVASSA-N 494.640 5.073 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(OCC)cc3)no2)nnc1-c1ccc(Cl)cc1 495431942 GAZIUTXFTIHLJA-UHFFFAOYSA-N 453.955 5.526 30 20 JKED COc1cccc(/C=C/c2cc(C(=O)N(CC#N)C3CC3)c3cc(Br)ccc3n2)c1 495502782 KTTWPMIYXFAIFJ-FNORWQNLSA-N 462.347 5.304 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc(C3CC3)nc21 501474760 IMZVTMMISHADKQ-UHFFFAOYSA-N 465.557 5.787 30 20 JKED N#CCCn1cc(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c2ccccc21 501968706 YBQDJLVEKQNXDO-UHFFFAOYSA-N 484.606 5.350 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(Oc2ncccn2)cc1C 502604531 SSQHLHJAVSRFJK-UHFFFAOYSA-N 471.330 5.699 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)cc1 505618722 BFCQZRIGDIQMKH-RUZDIDTESA-N 496.567 5.162 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507922190 ZLAMLQBMIONAFI-QFIPXVFZSA-N 475.932 5.256 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 509260150 LKEAIIJCVDDYBG-HNNXBMFYSA-N 485.660 5.323 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)nnc1-c1ccccc1F 514773439 FRPLIHJRUMVQCR-HXUWFJFHSA-N 456.612 5.033 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)s2)cc1OC 515624482 DPMCOCHBUBEPKF-UHFFFAOYSA-N 487.606 6.087 30 20 JKED Cc1c(NC(=O)c2ccccc2)cccc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 515648243 ZMVZJRLVVGDIAI-GOSISDBHSA-N 472.614 5.889 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OC1CCCC1 516305391 KTAJWGRDXZVUIS-IBGZPJMESA-N 499.567 5.496 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(-c4ccccc4)nc3)s2)c(C(F)(F)F)c1 519195044 FSJDENGJSBOETL-UHFFFAOYSA-N 465.460 5.334 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2cc(Cl)ccc2c1=O 519414515 LNAKIRGYZODULI-HNNXBMFYSA-N 485.034 5.218 30 20 JKED Cc1cc(C)cc(Oc2ccc(CNC(=O)C(=O)Nc3cccc(OCCCC#N)c3)cc2C)c1 520143406 CUVISOMAYVXFEY-UHFFFAOYSA-N 471.557 5.342 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C 520654887 VQMYDAZEJJGKQH-UHFFFAOYSA-N 493.567 5.059 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1 520867259 GNFQQDNIGHEYED-UHFFFAOYSA-N 477.586 5.063 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)cc2)cs1 522165237 USHQNBHJKAPDHA-GOSISDBHSA-N 482.613 5.131 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCc3ccccc3COCc3ccccc3)o2)cc1 524382554 IQXVZKCEPGHNTK-UHFFFAOYSA-N 452.510 5.377 30 20 JKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OC 524658433 YSOGCARIGKONTD-MHZLTWQESA-N 499.611 5.421 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)nnc1-c1cccc(C)c1 554152111 WKAFERCHFMJCIE-LJQANCHMSA-N 477.634 5.041 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 590367328 DVAMWMFJWOMDHC-UHFFFAOYSA-N 474.504 5.499 30 20 JKED N#Cc1ccc(OCc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H]3CN(Cc5ccccc5)C[C@@H]43)c2)cc1 594654819 DKETWZJZIJABAQ-SFGWMHHMSA-N 477.608 5.120 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)cn2)c1 603623346 SZCSZIWHKIJIRE-UHFFFAOYSA-N 460.946 5.627 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cn2)c1 603692840 ORQLNWVTENRWPT-UHFFFAOYSA-N 481.478 5.114 30 20 JKED Cc1nc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)sc1SCC#N 603774941 LWHVSPFFMSIERX-UHFFFAOYSA-N 472.592 5.189 30 20 JKED CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c2cnn(C(C)C)c2n1 603991515 ALVHVPOLTKREKU-UHFFFAOYSA-N 455.587 6.087 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3cc4ccccc4o3)cn2)c1 604138090 NQNLXYCJPFCQOT-MHZLTWQESA-N 488.503 5.336 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc1 604420876 WVERDYYPUNBFPB-UHFFFAOYSA-N 495.510 5.324 30 20 JKED Cc1ccc(-c2nc(CCNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)co2)cc1 608843382 QXFAEGQCZITHTB-UHFFFAOYSA-N 468.532 5.615 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 608994567 NDXKBQOHRMENJV-UHFFFAOYSA-N 456.590 5.447 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)o2)cc1 609059461 GBRPOQAPRHHSAW-UHFFFAOYSA-N 477.948 5.698 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)cc2Cl)c1 609062210 GBPALEGPLFVSSV-UHFFFAOYSA-N 495.000 5.082 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 609078166 DWCZHLQQLMRRBT-UHFFFAOYSA-N 472.564 5.325 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 609078375 LVXNOEZIASTCGX-UHFFFAOYSA-N 463.541 5.643 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)ccc2c1 609086249 ACAGIPDARQGKKN-UHFFFAOYSA-N 493.563 5.205 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)cc2F)c1 609114905 YFXGKKQBNXELSM-UHFFFAOYSA-N 493.947 5.513 30 20 JKED CCOC(=O)c1sc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c(C#N)c1C 609323988 PJMFGYOVMUOTSP-UHFFFAOYSA-N 467.494 5.305 30 20 JKED Cc1ccc([C@H](NC(=O)CCc2c(C)nc(O)c(C#N)c2C)c2ccc(F)cc2Cl)cc1 609374401 VYGUSCBSKGHDCZ-DEOSSOPVSA-N 451.929 5.215 30 20 JKED N#C[C@@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc2ccccc2n1C(F)F 613403043 BDDPZESNBJFZAQ-SFHVURJKSA-N 458.443 6.064 30 20 JKED N#C[C@H](C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613404880 PVTBKWAUVDBMQK-MRXNPFEDSA-N 485.512 5.797 30 20 JKED C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 616003525 ACOLTPVTYDCFNK-NSHDSACASA-N 455.326 5.114 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 616089590 BRQOXLPRNODSOS-STQMWFEESA-N 450.345 5.756 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)nnc1-c1ccc(Cl)cc1 617894488 FXZSITAQTVMUFS-ZBFHGGJFSA-N 458.937 5.114 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2F)nnc1-c1ccc(Br)cc1 619153670 AJOPEBRNCOMYDR-AWEZNQCLSA-N 475.387 5.460 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1nnn(-c2ccccc2F)c1C(F)(F)F 624854635 GUYWNKUVWXBCKF-IUCAKERBSA-N 492.317 5.065 30 20 JKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642684088 XYSUKPAWQWOQRP-VXGBXAGGSA-N 493.370 5.318 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(O)c2ccc(C(F)(F)F)cc2n1 645079528 KDDMLAZWVLHQHV-UHFFFAOYSA-N 491.470 5.142 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1cccs1)c1cccs1 726415741 KVFKEOGFFLKKOS-QVAVMFBNSA-N 469.657 5.077 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(Cl)c2)cn1 726888092 LFKZAXZEPCZOCP-HXUWFJFHSA-N 498.967 5.043 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1=S 727422959 GIGNJOKOKKMMJW-NRFANRHFSA-N 458.990 5.014 30 20 JKED N#CCOc1ccc(CN[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1 727837961 GQUVCWOPHSPGQR-QFIPXVFZSA-N 473.882 5.731 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)cc1 728778924 WDFZXHLRYPPXNH-QFIPXVFZSA-N 482.581 5.267 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(CCCCC#N)C2=O)cc1Cl 728779378 YZZRDOSSTNCBLC-QFIPXVFZSA-N 499.036 5.620 30 20 JKED C[C@@H]1CN(c2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2C(F)(F)F)C[C@@H](C)O1 729374709 WAXGVJBVEGDXMS-HZPDHXFCSA-N 456.468 5.050 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 729888901 KFRDUSULMBZAJZ-HXUWFJFHSA-N 467.529 5.039 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730435493 APEQIGZUGLPKPF-AOHITCTBSA-N 465.372 6.076 30 20 JKED COc1cc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cc(OC)c1O 730436241 ONBIUOLGGJOABH-UKTHLTGXSA-N 472.360 5.508 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)OCCO3)N(C2CCC2)C1=O)Nc1cccc2ccccc12 730461590 QFZNKDDCXAYYJS-DEOSSOPVSA-N 487.581 5.124 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1ccc(F)c(Cl)c1 730685663 BBEYXDDATWSTJD-GFCCVEGCSA-N 469.847 5.388 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 731068791 IPMPZIDONHCLNB-KRWDZBQOSA-N 491.544 5.125 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 731109400 XAYLBSJMHHDBDN-AREMUKBSSA-N 475.520 5.476 30 20 JKED COc1cccc(C2(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)CCCC2)c1 731261121 QLIVKUWZJCORIB-GOSISDBHSA-N 452.576 5.083 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743449590 RZMSYHUZOWRANC-GFCCVEGCSA-N 450.734 5.731 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1Cl 744916384 IMLUXHLOPOBPPC-XMMPIXPASA-N 496.998 5.821 30 20 JKED O=[N+]([O-])c1ccccc1-c1ccc(C=Nn2c(S)nnc2-c2cccc(Br)c2)o1 745992368 YAYWJFWTYAHLCV-UHFFFAOYSA-N 470.308 5.047 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CCc1nccs1 747602585 KPDACUPSHRRFJU-OAQYLSRUSA-N 478.643 5.217 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1 750391380 GMONONZTFJKWRW-XMSQKQJNSA-N 483.597 5.509 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)cc1C 837299425 HWIUFCHSYYOTDN-UZUQRXQVSA-N 494.567 5.698 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2cccs2)C1=O 837382249 VDRJRBWXWPPCJB-NRFANRHFSA-N 465.600 5.226 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(C)c1 914539543 FAYGFMGGQPYEQC-QFIPXVFZSA-N 492.576 5.007 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O)NCc1ccccc1 914539944 LYKCTJGTKYJHIE-OAQYLSRUSA-N 499.423 5.227 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 914689835 BCEPVNBJBLIVLM-BTYIYWSLSA-N 469.513 5.149 30 20 JKED C#CCOc1ccc(Br)cc1CNC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914795824 CPURQWAOGGJGCY-CHWSQXEVSA-N 458.240 5.460 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccco3)n3nnnc3-c3ccccc3)n2)cc1 915099781 AUSXPGXEVCOZNS-KURUZVKSSA-N 478.537 5.240 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1 915099915 GOFXEPLWOAJGKS-FQEVSTJZSA-N 460.584 5.281 30 20 JKED N#Cc1cccc(COc2cccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)c2)c1 915956700 ZJURSPOVSHZPRX-UHFFFAOYSA-N 459.962 5.557 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)cc2)C1=O)Nc1ccccc1F 916204832 DYKQGNURHWLXRF-OAQYLSRUSA-N 469.488 5.264 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1C 916206945 BDNWNUVFLRDWMB-LJQANCHMSA-N 461.509 5.469 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(SC(F)F)cc1 916215670 XEFXAFURVZYUPU-SFHVURJKSA-N 479.574 5.380 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cs1 916306699 VGAIPJJTARAVRR-UHFFFAOYSA-N 462.604 5.182 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c2c(C)c(C)sc2n1 916886131 FHWVVGHSFIPTGX-OAHLLOKOSA-N 492.598 5.371 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916917134 FDMPHWNFDJUEJC-QHCPKHFHSA-N 456.933 5.186 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916936447 KWDNZOZMIBQIFA-INIZCTEOSA-N 452.829 5.092 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1 916949115 MEIUKSMDJWKIFY-HJPURHCSSA-N 463.628 6.219 30 20 JKED N#C[C@H](C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1nc2cc(Cl)ccc2s1 917046526 KPLPBVGUKQUFAS-MRXNPFEDSA-N 456.932 5.007 30 20 JKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047438 XBYHUGOKNJDYSJ-AEFFLSMTSA-N 460.386 5.624 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c12 917119575 MZZUKIGOHKDKJS-XMMPIXPASA-N 463.585 6.280 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 917429934 ABHKDIPUYAWKGA-GOSISDBHSA-N 461.591 5.254 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cc(Br)c1OC(F)F 917517769 KLVOUXLKDBSPPI-BAQGIRSFSA-N 493.304 5.268 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccc(C)c(C)c2)n1 917662201 YZPKNVSTBJFNES-JOCHJYFZSA-N 494.020 5.216 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccco1 917707205 QWEGPTWPWODGPC-FQEVSTJZSA-N 498.486 5.331 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CC(F)(F)F)c1 917708833 KAYMELAWNUOFRK-FQEVSTJZSA-N 492.567 5.399 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1 917713079 KVNXNDLTGQSDLO-QHCPKHFHSA-N 494.567 5.644 30 20 JKED CC[S@@](=O)c1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 918051145 RGDSLJATITZRRI-AESQFQPQSA-N 486.659 5.084 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 919666007 GKLCOLSYQBHAKY-HXUWFJFHSA-N 483.351 5.851 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 920109748 UOJKENUZUISLNX-YIXXDRMTSA-N 491.591 5.083 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 920676198 AAZUUMSYZRNSNC-SNVBAGLBSA-N 466.371 5.163 30 20 JKED CCn1cc(C(=O)/C=C\c2ccc(OCCOc3cccc(Br)c3)c(OC)c2)cn1 920991252 FAUXIRVINYFCSP-CLFYSBASSA-N 471.351 5.028 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c1 921252984 LMRNALMRPMSTMR-KXBFYZLASA-N 497.514 5.062 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c3ccccc3n3ccsc23)C1 1780004180 HYRYXBSQRYDODE-QHLUZPDOSA-N 491.657 5.050 30 20 JKED COc1ccc(Cl)cc1CC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785882825 VBFCWZWYISMXFA-UHFFFAOYSA-N 487.987 5.140 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ncc(OC(F)F)cc3Cl)CCC2)cc1 1786678676 IEMUYWGOFBOPSL-UHFFFAOYSA-N 481.952 5.003 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1)c1ccc(O)cc1 1786903282 RKFYFCMWNVLOSG-QFIPXVFZSA-N 470.569 5.249 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787950211 SIRIJOKRBOZCIA-GKXKVECMSA-N 487.644 5.072 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccnn5C)c(Cl)s4)cc3)CCC2)C1 1788380657 TYECHKVRFFAHDU-UHFFFAOYSA-N 481.021 5.516 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCC1 1788508905 HARMXOVDCXHXAA-KRWDZBQOSA-N 464.997 5.510 30 20 JKED Cc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)n1 1788649491 MARAXCOHBKECQA-QUMQEAAQSA-N 471.582 5.038 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cscc3C)cc2)CCC1 1788747746 SWAINAHBMSAMMO-OAQYLSRUSA-N 483.634 5.274 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)oc2ccccc12 1789577599 LNIDNQKGQUOTNW-LQKURTRISA-N 455.514 5.201 30 20 JKED C[C@@H](Sc1cccs1)C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789577739 CDSKBYBHFAEABQ-SCELWYEFSA-N 467.616 5.075 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(OC)c3)cc2)CCC1 1790646906 DBXHEXQQDRCXIJ-UHFFFAOYSA-N 469.379 5.009 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CCC2)cc1 1791244372 PGBNDHWOQSGDHB-SFHVURJKSA-N 457.615 5.026 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OC)c3Cl)CCC2)cc1 1791244458 UEXPMVCDNPBMKX-INIZCTEOSA-N 456.970 5.317 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1791563229 PYOSEWIEIJBNRD-QPPBQGQZSA-N 495.664 5.398 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)c(C)cc3OC(C)=O)CCC2)cc1 1791588191 JFVCNDXNOWIAMQ-UHFFFAOYSA-N 485.378 5.007 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)C[C@@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204906 LOZLSUNWTXLADS-JCWFFFCVSA-N 469.626 5.026 30 20 JKED Cc1cc2cc(C(=O)NC3(c4ccc(NC(=O)COc5ccccc5C#N)cc4)CCC3)ccc2[nH]1 1792239778 FARNMLIVKLRHLV-UHFFFAOYSA-N 478.552 5.175 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 1794105027 HRXZMVKYHCABSD-SPGPFUFCSA-N 493.047 5.334 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C\c1c[nH]c2ccccc12)c1ccccc1 1794229581 CASSRQVBUUTGEM-OZVOXKDGSA-N 465.597 5.017 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(F)c(F)c1)C2 1798331262 DKFXEOVKINVEFJ-PLACYPQZSA-N 465.544 5.047 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCCCC(F)(F)F)cc1 1800814091 ZBHIKBXZICHHSN-KGSLCBSSSA-N 478.555 5.428 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(CCCCC)s1)c1ccc(O)cc1 1801302013 ZOBCOKJFHIFVFZ-BXXSPATCSA-N 493.673 5.030 30 20 JKED C=CC[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCC(C)(C)C)NC(=O)OC(C)(C)C 1801833324 KGFPHAHOFCCFCD-BXXSPATCSA-N 491.717 5.481 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1802495392 LATRCBHTYFRBLT-GCJKJVERSA-N 474.432 5.700 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(Cl)cccc2Cl)C3)c1 1803681380 PCMAJXCIZVIRIX-FZDIXFNVSA-N 456.373 5.186 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCCC(=O)OC(C)(C)C)C3)c1 1803683920 CDYLXXHNQDMGHZ-OXCBMLQPSA-N 495.664 5.248 30 20 JKED O=C(CCCc1ccc(C(F)(F)F)cc1)N1CCCC2(CCN(C(=O)C(F)(F)C(F)F)CC2)C1 1805934352 BKFDGAZWKGQCIQ-UHFFFAOYSA-N 496.467 5.160 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Cc4cccc(F)c4)cc3)CC2)C1 1806018506 BMGCHCTWPUJFRH-UHFFFAOYSA-N 492.635 5.244 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1806620169 FHIDFWSJWNEWKY-LBNVMWSVSA-N 459.634 5.136 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1806682976 DDALJUQMEGZNKW-RCZVLFRGSA-N 468.041 5.366 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccsc4)C3)CC2)cc(C(F)(F)F)c1 1807204381 WLMIICWWJUZDHH-NSCUHMNNSA-N 487.547 5.197 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1808145958 MLECFMZJVRYUKV-RSXGOPAZSA-N 487.644 5.273 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1808887458 CDSVBPPPGZARJB-MZKUHISZSA-N 451.655 5.462 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc3cnccc3c2)[C@H]1c1cccnc1 1809261950 DJKGMQYGUCBITG-IXCJQBJRSA-N 498.703 5.001 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccc(OC(F)(F)F)cc3)C2)CC1 1809479573 UBAJMZCZMAWPJP-JLHYYAGUSA-N 476.539 5.023 30 20 JKED C[C@@H](S)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810401365 RWVAEGRWUWBBNA-HXUWFJFHSA-N 473.642 5.065 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc4cc(-c5ccccc5)ccn4n3)C2)CC1 1810451352 AYGVEJSUFJJPEE-JOCHJYFZSA-N 470.617 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)[C@H]1c1cccnc1 1810501514 CINSWDZBYQVAMX-GMQQYTKMSA-N 490.692 5.163 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1811107824 GNTNLOZJNDFVCV-FXAWDEMLSA-N 478.445 5.538 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c1Cl 1811417981 MYSAFCAAIXWMIC-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1812669565 FHKRPPCGMHMXOY-WMZHIEFXSA-N 498.961 5.123 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)[C@H]2c2cccnc2)CC1 1812790896 YPBKGTUHPWABQM-LGTAVNIZSA-N 472.633 5.188 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@H]1c1cccnc1 1813226018 AFFLAIGSWBLOHI-DFBJGRDBSA-N 496.533 5.095 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)[nH]n1 1814828837 UYQXYZJGRIHSDN-AUSIDOKSSA-N 450.583 5.028 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1815208690 IEHJGILMUDGTLM-GOSISDBHSA-N 483.371 5.144 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)n[nH]1 1817793561 HASQDLYYKWBMEH-DEOSSOPVSA-N 480.572 5.062 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)CCCC3=O)n[nH]1 1818691630 KZGZREZQVJRAKV-NZQKXSOJSA-N 460.578 5.003 30 20 JKED C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)sc2C1 1821218503 SFINKFOVKHUXFK-KRWDZBQOSA-N 488.638 5.382 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2OC)n[nH]1 1821845661 RLSGQDXXNPGSGZ-PZJWPPBQSA-N 471.001 5.075 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)[nH]n1 1821921792 UXCCYXZMDJWUHT-HOYKHHGWSA-N 459.594 5.147 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)n[nH]1 1822316670 YYGSPWWUNZYDOV-QHCPKHFHSA-N 499.055 5.550 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)[nH]n1 1822391138 AGQOXEMZWQWKOL-JOCHJYFZSA-N 493.405 5.435 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)C1 1823703038 LNMNOQAROFYRPG-XMMPIXPASA-N 455.042 5.348 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)ncc2F)CC1 1823751869 BMYYYKXHYZWTHL-FQEVSTJZSA-N 494.449 5.209 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1Cl 1823899315 AEZJTCPAHKHZEN-JOCHJYFZSA-N 488.390 5.551 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)c1 1823984377 WGIPLSWJPIHUNI-SANMLTNESA-N 496.026 5.146 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1824050449 WDPUCYXPBCFDMF-SIBVEZHUSA-N 494.035 5.257 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc5ccoc5c4)sc3C2)c1 1824069648 HSKQPRXHBVXVFK-QRWLVFNGSA-N 470.554 5.056 30 20 JKED C#CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824224735 AKWXVVHJDAEXFR-GOSISDBHSA-N 486.597 5.304 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSC3CCCC3)CC2)c(Cl)c1 1824476776 CQRFFFBSVLXHKM-QHCPKHFHSA-N 474.070 5.121 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc(Br)c2C)CC1 1824961225 LKYZDJQYJJWRLL-FQEVSTJZSA-N 497.474 5.049 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1 1827732901 QCCDHINQOCKHCC-OAQYLSRUSA-N 465.981 5.137 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cnccc4c3)CC2)c(Cl)c1 1828205736 ZICVGCXWUWMJIY-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1828824818 OPCIPNAZQWFDQS-MHCUWBFOSA-N 489.704 5.753 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(=O)OCC)c2F)CC1 1828826529 GLEJZODUQBVSNW-ZJSXRUAMSA-N 484.612 5.004 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4cccs4)on3)CC2)c1 1829282140 SFQIBUWDUGFXLA-QHCPKHFHSA-N 488.613 5.130 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829657140 KXYRWAOLEJGIKW-UXHICEINSA-N 489.028 5.129 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)CC2)CC1 1829903733 CIPBTEILYQNBRI-XMMPIXPASA-N 457.574 5.016 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1829927264 VSSJOUHWKXHOID-HFZDXXHNSA-N 473.617 5.259 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc4c3CCCC4)CC2)c1 1829954429 ARVKLUFWBHBMFD-DEOSSOPVSA-N 461.631 5.046 30 20 JKED CC(C)(C)OCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602247 URTICCQZYYWCIP-MUUNZHRXSA-N 486.656 5.135 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1F 1830723132 XGJWVOVBGAXNIZ-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1831444186 KQHXHMCDBQDCLK-XMMPIXPASA-N 485.575 5.135 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1831446239 WUEORFFHCSQOFE-QHCPKHFHSA-N 467.560 5.193 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1831844801 WXUUTXCONPRPPQ-HOYKHHGWSA-N 454.611 5.044 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCCC2)CC1)c1ccc(O)cc1 1831924423 DQUASKQFTXIKJS-VPUSJEBWSA-N 464.650 5.089 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1832355174 DEBOLIQGCWATDY-YICOQCBLSA-N 476.646 5.025 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)cc1 1832386494 UAQBDYNQKAZDOC-NOQRGWLFSA-N 461.650 5.081 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 1832633883 OPGCEAUSBJGRSN-IQGLISFBSA-N 465.544 5.139 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1832923630 ZDXASSAXAFBORA-DEOSSOPVSA-N 489.701 5.022 30 20 JKED O=C(c1c(-c2ccccc2)cn2ccccc12)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841262798 SKSCQTYBTWQVLT-UHFFFAOYSA-N 493.994 5.128 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCC(=O)OCc1ccccc1 1847533501 SRPASCFHIDGAKE-SVBPBHIXSA-N 494.676 5.431 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)c1C 10167840 RXJIOIACAKFHHT-UHFFFAOYSA-O 492.089 6.948 30 20 JKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)o2)c1 10323297 JXPZEQJLVISYQY-UHFFFAOYSA-N 457.559 5.363 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1ccc(Br)cc1 10611576 YGTNUXNUJRHMQI-UHFFFAOYSA-N 461.360 5.072 30 20 JKED N#CCN(C(=O)COC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)c1ccccc1 10636604 UAAUKQWZFARRTO-UHFFFAOYSA-N 455.489 5.007 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccc(F)cc1 11200272 CLBMXVAVKGHWGP-CYBMUJFWSA-N 475.471 6.192 30 20 JKED C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 12105572 JANUSCDISQNHDR-OAQYLSRUSA-N 467.598 5.286 30 20 JKED C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 12105573 JANUSCDISQNHDR-NRFANRHFSA-N 467.598 5.286 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1C1CC1 14065654 GJBXVEBJHLUXDS-UHFFFAOYSA-N 461.616 5.657 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)cc1 15275068 JEQLAPCEAKIRKG-UHFFFAOYSA-N 481.368 5.239 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)nc2sc(C)c(C)c2c1=O 16715556 QQFIGNITZLCVOB-CQSZACIVSA-N 492.464 5.451 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccnc2Cl)nc2scc(-c3cccs3)c2c1=O 16986867 GSURSMLROHRKGP-GFCCVEGCSA-N 489.047 5.540 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1C#N 18477904 SWLUBVWGRYCARN-UHFFFAOYSA-N 466.570 5.553 30 20 JKED C[C@@](C#N)(NC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1)C1CC1 20993495 OMWNGOFDAYXDOT-SANMLTNESA-N 486.622 5.015 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(C(=O)Nc2ccccc2)cc1 22132677 OBTFEMNJAORCHE-UHFFFAOYSA-N 474.561 5.727 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)NCc2ccc(OC)cc2)cc1 22692987 TVZRXNAHUOAASY-UHFFFAOYSA-O 487.689 6.104 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 22730141 ZYIFYDAOBNYOLK-UHFFFAOYSA-O 489.567 6.658 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 26834273 HEWKONXLGHLYIW-OAQYLSRUSA-N 472.570 5.262 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)cc1 29201387 REJSBGLIECNCMJ-UHFFFAOYSA-N 451.530 5.408 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 29205050 PLFDTPMSSVVISF-QPPBQGQZSA-N 474.586 5.097 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)nnc1-c1ccoc1C 36772362 WGKAPGZXEHVKCC-SFHVURJKSA-N 479.587 5.157 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1Cl 69627242 IXRLMYSMZBPSTD-JOCHJYFZSA-N 471.969 6.562 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 78720037 ZMNCYDRADQTXHR-AWEZNQCLSA-N 461.534 6.404 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(OCCCC#N)c3)c2)cc1 108595736 GTLHQXAHNLEERQ-UHFFFAOYSA-N 463.559 5.039 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4ccccc4)n4c3CCCCC4)n2)cc1 108978095 KOKZWWGDIVAVTQ-NRFANRHFSA-N 463.566 5.762 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl 110482154 RPDMIQVYSQGGJG-AWEZNQCLSA-N 469.328 5.118 30 20 JKED CCCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(OC)cc1 218618704 NGZVODGKAUJTNH-HNNXBMFYSA-N 481.647 5.295 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 251977313 DWABAVXSTARVDY-UHFFFAOYSA-N 478.470 5.824 30 20 JKED Cc1cc(C)n(-c2cccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)c2)n1 302994048 JSIMQAXOIBLRDU-UHFFFAOYSA-N 481.581 5.344 30 20 JKED CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481623016 JKWDQOCYBDULTH-UHFFFAOYSA-N 455.493 5.126 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C(F)(F)F 490395598 BGMRNGAPEFFENQ-UHFFFAOYSA-N 455.440 5.033 30 20 JKED N#Cc1cccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)c1 498409782 ORIVXWHYQJFQRP-UHFFFAOYSA-N 494.407 5.521 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCCNc3ccc4ccccc4n3)c2)cc1 502518832 QIZIYMKNKMQGJE-UHFFFAOYSA-N 451.530 5.113 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccccc2CN(C)C(C)C)cc1 508239678 FJXPITIZIQSWSQ-UHFFFAOYSA-N 458.562 5.521 30 20 JKED CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 509617468 AFTZOXNSNFJRIO-LJQANCHMSA-N 458.425 6.341 30 20 JKED CCOc1cc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1OC(F)F 510210978 JROIEKPLMDIISI-UHFFFAOYSA-N 491.545 5.024 30 20 JKED N#C[C@H](C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1nc2ccccc2o1 510633418 XWAQYBPAZBWEEP-QGZVFWFLSA-N 461.319 5.145 30 20 JKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccccc1OC(F)F 512771250 TVBSGTVIWIFOTP-CYBMUJFWSA-N 455.486 5.423 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1cccnc1 514960449 LGNPEKDAGAWXSC-SFHVURJKSA-N 457.559 5.438 30 20 JKED COc1cccc(-c2nc(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)cs2)c1OC 515163291 NHXLXZCFWWDSLH-UHFFFAOYSA-N 475.595 6.135 30 20 JKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 515539385 QSKUTPDEGBLXKQ-SFHVURJKSA-N 478.411 5.631 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C(C)C)cc1 515887206 SZVOGJRVFIJCHP-NRFANRHFSA-N 461.484 5.075 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1Cl 517296224 GNMUNRQAQBKPJK-LADGPHEKSA-N 461.924 5.437 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)cc1 517731902 UBNMRPQGUQBSDO-LJQANCHMSA-N 456.552 5.612 30 20 JKED CCOc1ccc(CCC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 518164858 GJZKAGKFRRJDFU-HXUWFJFHSA-N 451.636 6.214 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCc1ccc2ccccc2c1 518675584 HSFVPAFLICNONR-UHFFFAOYSA-N 471.504 5.162 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)cc2)c1 518731958 SZNVSXOCUWIZCP-UHFFFAOYSA-N 450.498 5.039 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 519425149 VRSHEJLAWNCQGD-GFCCVEGCSA-N 477.409 5.384 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1C#N 520106088 WRTJXUCZLBTNPZ-UHFFFAOYSA-N 450.951 5.432 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)c(Cl)c1 521280967 KNQJZHLICYYIFO-MRXNPFEDSA-N 472.980 5.616 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc2ccccc2n1C(F)F 570413829 IPNUVJGMCGBDLR-LJQANCHMSA-N 457.440 5.148 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1cncc(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1 590234997 PSDINAOXQFJSEW-UHFFFAOYSA-N 489.322 5.902 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)cc1 603708615 IUEACCKUSRZYDW-DEOSSOPVSA-N 457.599 5.272 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)c2)cc1 603814531 CTLGKKHPYASHCH-UHFFFAOYSA-N 485.547 5.832 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCCC2)cc1Cl 604139308 RSRWFKLUFNRBAE-XMMPIXPASA-N 471.988 5.562 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC(F)F 604142540 QFVAMKCTULCNIL-IRLDBZIGSA-N 497.929 5.803 30 20 JKED CCCCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 604160619 NSGFMGROMUWEPF-UHFFFAOYSA-N 476.964 5.556 30 20 JKED Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604193357 IZQNBODHNAAHOJ-UHFFFAOYSA-N 481.961 5.005 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC(c4nc(-c5ccccc5)no4)CC3)c2C#N)C1 609146145 GYIFLIWMSKLUGD-QGZVFWFLSA-N 475.618 5.003 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1Cl 609164853 YMRVNEPWIHGTGX-AOYPEHQESA-N 495.966 5.794 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 609408266 WCCDNCRLZZAFTN-UHFFFAOYSA-N 475.455 5.402 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)oc12 609435708 HJIPLIQXPLLCBB-HZPDHXFCSA-N 451.548 5.042 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618300936 HSDNKIXEGSVGEC-KBPBESRZSA-N 474.380 5.005 30 20 JKED Cc1cccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1NC(=O)c1ccccc1F 618521428 LFMKGLJKINJLAS-OKILXGFUSA-N 476.392 5.589 30 20 JKED CC(C)(C)c1cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n(-c2ccc(F)cc2)n1 618541768 ITIPPRNXQBGCAO-CHWSQXEVSA-N 480.428 5.904 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccccc1F 645077265 UECVTRSTCZSOAF-GOSISDBHSA-N 464.566 5.693 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(C)C)cc1 726410876 JFPNWCKTDHPDEG-BJKOFHAPSA-N 477.630 5.070 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)c3cccc(Br)c3)n2)cc1 726731420 BKIASPSVMIOXHB-GOSISDBHSA-N 455.377 5.735 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)cc1Cl 726890195 JLBUGAFFNNELKP-FQEVSTJZSA-N 486.018 5.571 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl 728109334 PIAWMPBIFHATMF-CYBMUJFWSA-N 459.285 5.221 30 20 JKED Cc1nc(/C=C\c2nccn2CC(F)(F)F)sc1C(=O)/C=C\c1nccn1CC(F)(F)F 728698797 PBWDADIEZULQHG-LDIADDGTSA-N 475.418 5.036 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1-c1c(Cl)cccc1Cl 729070552 XGBXFEBDWTVTEP-GFCCVEGCSA-N 494.741 5.451 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@H](c2ccccc2)C2CCC2)C1=O 729141901 DODJAMDMENGKFF-PZJWPPBQSA-N 475.536 5.314 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(C2CCC2)C1=O 730460575 BNOMBBLPCNWIQK-LJQANCHMSA-N 478.401 5.515 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(C3CCC3)C2=O)c([N+](=O)[O-])c1 730460880 IAJCJFVRWVRHLV-IBGZPJMESA-N 472.954 5.069 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(C2CCC2)C1=O 730463116 SGHAFNDVMIVQEF-JOCHJYFZSA-N 485.581 5.136 30 20 JKED Oc1nncc(NN=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)c1Cl 730568186 OTRCUFHIMZREJH-UHFFFAOYSA-N 466.932 5.801 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)c1 730714152 CRGINZPFHFUMQG-QFIPXVFZSA-N 462.575 5.069 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)sc1-c1ccc(F)cc1 731077773 OVWKZXFYFAMCHW-INIZCTEOSA-N 468.575 6.052 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)n1C 731078704 VZPZNTNZPUOBBW-INIZCTEOSA-N 451.523 5.021 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 731114015 CAMKRMRIDRXMOA-DYXWJJEUSA-N 472.655 5.582 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1Cl 731306713 XIKGPETXWQSZGR-KRWDZBQOSA-N 452.363 5.069 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(Cl)cc2)c1 731310652 MQIUKZCMCIPYMS-QFIPXVFZSA-N 495.988 5.215 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(CCc2ccc3ccccc3n2)C1=O)NC1CC1 743513666 YNPZFRMTCFTKJK-AREMUKBSSA-N 494.620 5.231 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 748003939 MGGGXQFLSZOMCZ-IBGZPJMESA-N 484.493 5.472 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1cnc2c(c1)c(C)nn2C)C(=O)c1ccccc1 750904592 XXWHTZLWOPNCKI-JLPGSUDCSA-N 452.558 5.307 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1cccc(OC)c1 799213502 VPOWCDUZVZQDDZ-GOSISDBHSA-N 496.803 5.249 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CC(F)(F)F)C2=O)cc1 799216281 VTCNSGRVBDCGTC-LJQANCHMSA-N 477.508 5.029 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cc(C)cc(C)c1 799217407 ORXKEAKUWVRACB-SFHVURJKSA-N 460.397 5.046 30 20 JKED Cc1sc2nc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)n(C(C)C)c(=O)c2c1C 808423425 CDESODYOZOGWAZ-KRWDZBQOSA-N 494.667 5.748 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccc2F)c1 837348578 POZYASCGYXYUFZ-QHCPKHFHSA-N 495.551 5.176 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@H](C)c2ccccn2)cc1 837835378 GJVNPEHQIGKLGB-WZONZLPQSA-N 493.032 6.073 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 838090345 CWLVCHGZEKLVMK-HXOBKFHXSA-N 492.576 5.341 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c(C2CCOCC2)n1 856694023 OZQHUNQFFPTMNZ-UHFFFAOYSA-N 481.412 5.900 30 20 JKED O=S(=O)(NCC(F)(F)F)c1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 863995363 RILVFTOVTFGKRN-UHFFFAOYSA-N 480.352 5.177 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)/C(=C\c3cccs3)n3nnnc3-c3ccccc3)n2)cc1 877699790 MUBSLOVUBIRLSS-FYJGNVAPSA-N 481.566 5.034 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1nc2ccccc2s1 915098949 HVUCHGFLGHNSGT-OAHLLOKOSA-N 474.464 5.316 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)cc1F 915111502 MQHYCPHYJSYRGJ-JOCHJYFZSA-N 499.514 5.273 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCc2ccc(C)o2)C1=O 915111874 QRCWTGMNSHIHAQ-QFIPXVFZSA-N 499.539 5.078 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2sc(Oc3ccccc3)nc2Cl)cc1 915955368 DIKFXFBKJJMICX-UHFFFAOYSA-N 462.387 6.008 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2Cc2ccco2)c1 916205936 KTCUCAAEWZVUCD-NRFANRHFSA-N 499.976 5.111 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 916206838 AALOPTHAVDZKEK-GOSISDBHSA-N 480.417 5.299 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(C[C@H]2CCCO2)C1=O 916209826 RXFSOBAOBIITDO-FOIQADDNSA-N 492.428 5.441 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1Cl 916209867 SWSOHBQZEKEUDJ-HXUWFJFHSA-N 459.999 5.035 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(Cl)cc1 916211161 KZKGUFARZMHIRY-KRWDZBQOSA-N 478.799 5.249 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=Nn2c(S)nnc2-c2ccccc2C)cs1 916341905 OTWNYFZEUNIPQD-UHFFFAOYSA-N 468.995 5.219 30 20 JKED Cc1ccc(C)c(-n2nc(C)c(C=Nn3cnnc3SCc3ccc(Cl)cc3)c2Cl)c1 916546326 LQXVUVHXTHHYLM-UHFFFAOYSA-N 471.417 5.870 30 20 JKED COCc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)sc2cccc(F)c12 916907065 HEXNMQASAYNLBV-QGZVFWFLSA-N 474.513 5.940 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916917782 IWSMOEUADUGTLX-OAQYLSRUSA-N 480.911 5.900 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2cccc(Br)c2)o1 916919200 TZJYHLXOGTYHDL-NRFANRHFSA-N 489.325 5.735 30 20 JKED N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945474 WBVKEIGMORVPLR-NRFANRHFSA-N 453.325 5.447 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 916947780 BAJGTEIGUNTCPZ-ZHRRBRCNSA-N 471.605 5.847 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 916951628 ZPPVGQFHSPCGRE-WZONZLPQSA-N 461.587 5.434 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046818 QSJUYMKPRYAQNR-CYBMUJFWSA-N 490.766 5.238 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c1=S 917489273 WGCFGFCQMFYPHM-UHFFFAOYSA-N 477.556 5.310 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2Cl)CC1 917680105 CCSQXOUZSVWRDF-JOCHJYFZSA-N 499.080 5.563 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cccc(C)n3)C2=O)c1 917689951 RCUCRCQPEBYOIY-QHCPKHFHSA-N 492.576 5.007 30 20 JKED CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 918558176 RDCDPSXYQMMUEO-UHFFFAOYSA-N 493.614 5.064 30 20 JKED COc1cc(/C=C(\C(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)c2ccccc2)ccc1O 919168751 AABILVXDVWCPGL-ULJHMMPZSA-N 484.552 5.048 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920110127 LNQRSPZJFMEOMU-GTNSWQLSSA-N 492.334 5.624 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccc(Cl)cc1 920807132 YSMIENVBUKBGEQ-MAUKXSAKSA-N 459.905 5.185 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 920974728 FCDBBSDKMAPBHW-HXOBKFHXSA-N 474.948 5.835 30 20 JKED CCN(C(=O)CCc1c(C)nc(O)c(C#N)c1C)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 1360037847 WMRMTQPZGRRSGQ-HHHXNRCGSA-N 456.590 5.365 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C(F)(F)F)cn4)CCC3)cc2)C1 1785806894 ODOGWIMOJOCCDZ-UHFFFAOYSA-N 457.496 5.133 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3cccc(C)c3)CCC2)cc1 1786370650 BBDLDMLAQWFJAJ-OAQYLSRUSA-N 469.585 5.396 30 20 JKED CC(C)[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1786395842 KXRKPBFCTVOQKE-RBBKRZOGSA-N 491.698 5.014 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)cc2)CCC1 1789191201 GGNYHNVWAKEOMO-TUACAJSNSA-N 466.622 5.236 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1789495629 NFMORIRADCKQOB-SANMLTNESA-N 497.595 5.749 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4oc5ccccc5c4C)CCC3)cc2)c1 1790073201 QSTYBUGWOUMYEO-UHFFFAOYSA-N 479.536 5.683 30 20 JKED CCc1nn(C)c(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c1Cl 1790081867 LNJXRPMRGSCSPP-UHFFFAOYSA-N 496.398 5.222 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCC1 1790312151 IFPZULYHNLIAJB-MRXNPFEDSA-N 461.484 5.254 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3N3CCCCC3)cc2)CCC1 1790783695 JKVLBERFQJPLDU-OAQYLSRUSA-N 461.606 5.016 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ncc[nH]4)cc3)CCC2)cc1 1791301072 NYOWLRWIRPHBAC-UHFFFAOYSA-N 450.489 5.036 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(Cl)ccc3Br)CCC2)cc1 1791580328 YMPURKWABUPZMX-ZDUSSCGKSA-N 481.843 5.097 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791730072 FVVVLYYMPOYNCW-RPWUZVMVSA-N 495.664 5.398 30 20 JKED C[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)CC1 1791971306 MVNWFQFVBFHSQA-UAPYVXQJSA-N 455.562 5.009 30 20 JKED Cc1cc(C)nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792123877 SHMZTKAQDDRDMG-IBGZPJMESA-N 452.558 5.387 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc[nH]c3cc2Cl)c1 1797613368 GKMOJMULOGQWFT-HUJKARHJSA-N 460.965 5.014 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1OCc1ccccc1 1799339931 RUMSJLTZWRTGDM-ACDBMABISA-N 488.962 5.382 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(Cl)c2)c1 1799623750 HJAIQOJGCSSJQT-PPRPKMEESA-N 456.373 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(Br)c(F)c1 1801466080 OWODVIOTESCSEV-REPLKXPHSA-N 479.434 5.151 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1802389800 POOVESKIPFWVAR-YWEHKCAJSA-N 498.627 5.105 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1802498828 NWBMSFPNAFSNOR-UKILVPOCSA-N 479.690 5.489 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)[C@@H]1c1cccnc1 1802500728 ODUSQHXXNLFKMG-NBGIEHNGSA-N 492.570 5.220 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)[C@@H]1c1cccnc1 1802501770 CAFCLWSUVVZNOD-AZGAKELHSA-N 475.633 5.182 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)cc2)c1 1803832446 BUIXJSDONYCRAB-LXYWRUMBSA-N 463.581 5.546 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1)c1ccccc1 1805623298 KAVONHKAUGHANQ-HOFKKMOUSA-N 471.645 5.598 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1806676042 CCPVKVNMGNRSOY-UHFFFAOYSA-N 473.038 5.364 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1807881595 QHDVDDMGCFQVLH-CJFMBICVSA-N 494.517 5.058 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)c2[nH]1 1811420646 VPWWUMISXAMLRT-RLWLMLJZSA-N 497.986 5.030 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)s1 1811748963 HOCCQXPDTSPPSN-OQUVSYRVSA-N 491.016 5.010 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1812438042 FQDPOJRGTWCZSZ-OTNCWRBYSA-N 480.052 5.463 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)[nH]n1 1814439922 FUUZJINFBCGYQR-FQEVSTJZSA-N 489.661 5.089 30 20 JKED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1)c1ccc(Cl)cc1 1814661579 XBJLECJDGUKUJR-ZHRRBRCNSA-N 461.953 5.044 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815208832 OQQSSGLYAJCSBI-RUZDIDTESA-N 488.588 5.491 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[nH]n1 1815219242 CVYIJDMXNZGDKM-FOIQADDNSA-N 491.419 5.032 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1)C(F)(F)F 1815684011 FYUIKNMVWJGHFN-SFHVURJKSA-N 484.906 5.033 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccnn3C)c(Cl)s2)n[nH]1 1817773464 CEZGAVHHHBZIKE-KBXCAEBGSA-N 487.029 5.043 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3nn2)n[nH]1 1817934430 RZKROKLQLFEBMC-PGRDOPGGSA-N 478.984 5.081 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncccc23)n[nH]1 1818472208 OEKQRBFKUWNOBU-DEOSSOPVSA-N 487.680 5.315 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1818800310 HTFXKINJKYSXCK-CYFREDJKSA-N 487.629 5.443 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818941106 OYCLNUCOVQULHB-HNNXBMFYSA-N 492.395 5.216 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)n[nH]2)C1 1818984791 AXEVYJXYJKDJLK-FQEVSTJZSA-N 471.483 5.182 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)[nH]n1 1819555975 NCGNIKARZKEQGE-DENIHFKCSA-N 452.599 5.252 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820087807 GMTVAYLZWPKLOY-IERDGZPVSA-N 472.549 5.064 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217140 FHXSRLQIANOGPQ-IBGZPJMESA-N 495.008 5.061 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820217715 LRWBFWYNNSSGLO-ZHRRBRCNSA-N 491.979 5.053 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)[nH]n2)c1 1820484086 FSYWCFZEEARWCH-QFIPXVFZSA-N 494.580 5.368 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)[nH]n2)cc1 1820554163 TWEBHLSYQKWRNW-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)c(F)c2)n[nH]1 1820636975 MIHNLUCLJYABRL-NRFANRHFSA-N 472.612 5.045 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccn(C)c34)[nH]n2)c1 1823215441 RUYJZLZILPPPTB-HOYKHHGWSA-N 480.572 5.148 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1823890563 ZEZVKGMNNLTRQH-IBGZPJMESA-N 469.935 5.142 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c1 1824053788 GUPZWEYCRFRGLN-RUZDIDTESA-N 464.009 5.078 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1824142049 DOPZDEMRIUZMMA-DEOSSOPVSA-N 465.663 5.606 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1824143081 GLPSBUCZYORWND-RUZDIDTESA-N 483.056 5.147 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1824539303 RIKYGINYIWFCFN-VQTJNVASSA-N 457.467 5.181 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824954498 FQZICSQOYCXZMY-ZCYQVOJMSA-N 477.114 5.619 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)cc1 1827775312 UCHRKPAPPORSMH-JOCHJYFZSA-N 487.522 5.036 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)c1Cl 1827985156 RPLZZWKHDZXSKX-GOSISDBHSA-N 460.361 5.005 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)c1 1827986741 LHRCFFDVJDLRAE-DYESRHJHSA-N 453.970 5.107 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)cc1 1828553991 QWLVFCYXKJDFMU-OAQYLSRUSA-N 477.655 5.576 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(=O)OCC)c2F)CC1 1828826528 GLEJZODUQBVSNW-XUZZJYLKSA-N 484.612 5.004 30 20 JKED Cc1ccccc1NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828905494 RYRRKELWESUNKN-SANMLTNESA-N 481.757 5.078 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cc(C)ccn23)CC1)c1ccccc1 1829035216 MQBQDTOMIDCOJY-SVBPBHIXSA-N 496.655 5.073 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=Cc3ccccc3NC(=O)C2)CC1 1829578704 AAYINXBWQNMCFS-RUZDIDTESA-N 477.649 5.024 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)cc1 1830016107 APZJJAGNLKGKBQ-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830486821 SXJDMIUUJKDRLJ-BVZFJXPGSA-N 481.999 5.653 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830631686 MEMKLFVYDBMTSY-SANMLTNESA-N 477.725 5.037 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830708071 LMGIYKKJOOBCFF-AREMUKBSSA-N 475.658 5.516 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1832029172 VWAXHLOSVHQHGN-QHCPKHFHSA-N 462.556 5.061 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1 1832091188 LKFSLGVIZDKUKY-CLJLJLNGSA-N 451.655 5.019 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)c1 1832632214 MQLOSCQABXZYQX-HYBUGGRVSA-N 453.602 5.219 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3c(Cl)cccc3Cl)CC2)CC1 1836232959 INZUWLNXUNAQBO-UHFFFAOYSA-N 480.480 5.171 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3csc4c3CCCC4)CC2)CC1 1838315544 WYGSHBSECLMMDU-JOCHJYFZSA-N 470.679 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)C[C@H](C)c4ccccc4)CC3)CC2)c1 1838762625 NEJIDDLTEVZLNK-XZOQPEGZSA-N 487.644 5.120 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570807 FKFFEGYPVSGTTO-MZNJEOGPSA-N 468.026 5.047 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174157 VVPBRPSWGQJYDR-UHFFFAOYSA-O 481.466 5.764 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 10763936 OAZUFKAAIXIQCS-UHFFFAOYSA-O 469.989 5.705 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nc2sc3c(c2c1=O)CCC3 11150755 JCPRGTQMHZYXCE-QFIPXVFZSA-N 493.679 5.192 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccc(C(C)C)cc1 11262451 HIXWPZMDQJKSEN-UHFFFAOYSA-O 482.467 6.473 30 20 JKED C=CCn1c(SCCCc2nc(-c3ccncc3)no2)nc2scc(-c3cccs3)c2c1=O 14729338 QEWSSPHKZJVJNR-UHFFFAOYSA-N 493.639 5.542 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 15151952 FSXFUPRMDAZBGN-HNNXBMFYSA-N 467.641 5.342 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1[C@@H]1COc2ccccc2O1 16726508 WZADGJADTRXZBH-YWZLYKJASA-N 470.982 5.058 30 20 JKED CCn1c(SCC(=O)N(CC#N)c2ccccc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17126289 ACBNWZIBLJTBQQ-UHFFFAOYSA-N 492.601 5.241 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 18325000 CTRDSMXKZNPDJO-UHFFFAOYSA-N 461.591 5.780 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)nnc1-c1cccnc1 18404901 MCGJUWMORHDKDP-QFIPXVFZSA-N 476.005 5.960 30 20 JKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nc2sc(C)c(C)c2c1=O 18773995 KZSZFDHWNBHGET-UHFFFAOYSA-N 458.634 5.535 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)n(C2CCCCC2)c1C 21740905 LTCWSGWMFUXWNZ-UHFFFAOYSA-N 488.661 5.730 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)ccc1Cl 22286725 IYJQXBHKVHUKJL-UHFFFAOYSA-N 487.890 5.004 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(N(C)C)cc2)cc1 22693307 JXIWIUCRAYCPJX-UHFFFAOYSA-O 470.618 5.643 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1cc(C)ccc1C 22729593 KORYZRGXOSMHAQ-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NCCc2ccccc2)cc1 22735394 HMBBDFOERYOYAM-UHFFFAOYSA-O 453.578 5.321 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C 22972792 MRVBJPCRSPZDMC-UHFFFAOYSA-N 493.458 5.475 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccoc1C 23519222 CLMHQRUQZVIEDG-OAHLLOKOSA-N 481.603 5.284 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)CCc2ccco2)c1 24069386 HAQPXMZYKSPZRT-GOSISDBHSA-N 472.994 5.065 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28698773 UDJRIQFPBCMZQV-OAHLLOKOSA-N 471.623 5.298 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)cc1Cl 28904209 WYFQMCJGFKSZMD-UHFFFAOYSA-N 499.015 5.038 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 32198668 MACNUBBOWPMTDK-UHFFFAOYSA-N 467.037 5.021 30 20 JKED Cc1sc2nc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)n(C(C)C)c(=O)c2c1C 36817799 ZZTWPNFECWSZIP-KRWDZBQOSA-N 454.621 5.083 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nnc1-c1ccoc1C 45442160 KYCSWNFOYRSLEQ-UHFFFAOYSA-N 468.598 5.625 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1Cl 107647337 ZRZJHSBBPMVPEE-NRFANRHFSA-N 459.908 6.361 30 20 JKED CCOC(=O)C1C/C(=C/c2ccc(SC)c(OC)c2)C(=O)/C(=C/c2ccc(SC)c(OC)c2)C1 110756960 QHHKWIAQJQYZKU-UHWBUFEVSA-N 498.666 6.157 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 116492260 SNVBRRMLNOCSHY-UHFFFAOYSA-N 466.522 5.248 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1nc2ccccc2n1C(F)F 195727841 DVGZGQGZHWLVPM-PGRDOPGGSA-N 451.860 6.081 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 303012532 KKAOYCWTLYRVAH-UHFFFAOYSA-N 480.571 5.622 30 20 JKED C=CCOc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c1 409467414 AOBGMKBKDQGHSD-UHFFFAOYSA-N 472.801 5.694 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]3CC4c5ccccc5C3c3ccccc34)CC2)c1 409468790 DNYZVXDBLJWEGE-JOLTYGGCSA-N 490.607 5.216 30 20 JKED COc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1NC(=O)c1cccnc1 482988269 PQOHAFDRFUPRSE-UHFFFAOYSA-N 464.481 5.259 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1 486617833 YVJQNTDKIUTNKM-UHFFFAOYSA-N 479.492 5.294 30 20 JKED CCc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cnn1C(C)(C)C 487111718 SIUAPSQSRSKABR-UHFFFAOYSA-N 461.513 5.391 30 20 JKED CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)CN1CCC(C#N)CC1 488681790 IYCACPUQVOQIOD-UHFFFAOYSA-N 466.390 5.073 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCSc3ccccc32)c1 492755223 UJDMERVLDCIRID-NRFANRHFSA-N 459.596 5.256 30 20 JKED C=CCN(C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 500289840 BDIDOYAWGAPPSQ-UHFFFAOYSA-N 482.974 6.328 30 20 JKED Cc1cc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2[nH]c(C)c(C)c2c1 501136535 UNGDBGMQFAYTOA-UHFFFAOYSA-N 462.604 5.430 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c1 503612096 QWHBPIZOUNKQRG-LJQANCHMSA-N 462.521 5.176 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 509593386 RGQRCTBEPCCJIP-UHFFFAOYSA-N 455.308 5.532 30 20 JKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 510465726 ROLXOFCHHIDXKB-UHFFFAOYSA-N 468.369 5.666 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 511438566 MNXROVZVYZSIIN-VWLOTQADSA-N 458.562 5.273 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 513952406 YPCIGPSITONDLI-UHFFFAOYSA-N 457.505 5.973 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1Cl 514486957 VJIROIYRKIOSFR-UHFFFAOYSA-N 483.764 5.601 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)NC2CC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 515431227 SRRGCNZIIWESMX-KRWDZBQOSA-N 471.369 5.891 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 516258676 SSRKPXCWKHMMSF-KRWDZBQOSA-N 453.995 5.926 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)n1 516349241 IDWYVBUGCRNYCM-QGZVFWFLSA-N 462.424 5.635 30 20 JKED CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 516399054 SLDUSASOZIJMEA-IBGZPJMESA-N 469.950 5.087 30 20 JKED COc1cccc(/C=C/c2cc(C(=O)N(C)C[C@@H](C)C#N)c3cc(Br)ccc3n2)c1 516802275 CCMUIGUUJWYKTR-DYLHUKMJSA-N 464.363 5.408 30 20 JKED C=CCOc1c(Br)cc(CNCc2cn3cc(Cl)ccc3n2)cc1OCC 518269826 OKIKJYFVGNHZBC-UHFFFAOYSA-N 450.764 5.004 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)n2)cc1 518516767 XNBDERJEIIKYLO-HXUWFJFHSA-N 488.569 6.157 30 20 JKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518673243 VPAIMAZSWUQLMS-GFCCVEGCSA-N 471.451 5.147 30 20 JKED CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 520374512 ZQCPAECGYAFYJF-UHFFFAOYSA-N 465.600 5.255 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 520654504 KOPRJPPLLOCPJW-NRFANRHFSA-N 473.941 5.845 30 20 JKED CN(CCCOc1ccc(F)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 520889549 LAUQQBOZRSNNQX-HSZRJFAPSA-N 479.939 5.001 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 521719013 ATHLNIDDKMXGNJ-ZDUSSCGKSA-N 488.436 5.217 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 521730535 MWJWJWMZBPOYPF-MRXNPFEDSA-N 475.536 5.448 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1 522790895 DTZLKXZUHHEDGZ-UHFFFAOYSA-N 487.650 5.221 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3Cc4ccccc4-c4ccccc4C3)c2)cc1 523612269 HQCRUKMEYVLOAP-UHFFFAOYSA-N 459.549 6.546 30 20 JKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524440832 CPQOYACSBFSZIF-UHFFFAOYSA-N 476.964 5.707 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 524675625 MAAPYNHMUORSQU-GOSISDBHSA-N 477.561 5.226 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)c2)c1 524676039 CTKMEKAEBDHHQN-MHZLTWQESA-N 478.552 5.311 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 558626705 XSMKGYLHBJIHKX-UHFFFAOYSA-N 466.562 5.379 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(OCC(F)F)c1 588305888 BLHCBINECRCQQJ-UHFFFAOYSA-N 457.290 5.130 30 20 JKED C=CCc1cc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2C)cc(OC)c1OC 588796083 BXIGQVMMTNOOAD-VWLOTQADSA-N 470.569 5.341 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c1C(F)(F)F 591780924 KGUJCOHCCMDINH-UHFFFAOYSA-N 463.328 6.106 30 20 JKED C=CCN(C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596292052 HFODSQJVUNSUKR-NRFANRHFSA-N 494.599 5.113 30 20 JKED CCN(C(=O)c1ccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)nc1)[C@@H](C)c1ccc(C#N)cc1 603737454 INFPMPUTVMXDAM-LEWJYISDSA-N 479.584 5.272 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 603967791 AXLVQLKBUQNZRL-UHFFFAOYSA-N 465.600 5.104 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2)c(C)c1[N+](=O)[O-] 603992515 XFUAVRYLSQDUNA-UHFFFAOYSA-N 483.553 5.408 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995542 HUZMCYPDTCHUCQ-UHFFFAOYSA-N 491.334 6.333 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1Cl 604137566 JXUXMTMHLFDGHO-IRLDBZIGSA-N 479.964 5.426 30 20 JKED CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Cl)cc1 604218106 IZEKLKGMMLXZDV-HSZRJFAPSA-N 476.964 5.631 30 20 JKED Cc1ccc(OCc2nc(CC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)cc1 609028805 QIHAMPXRKBXWNA-SANMLTNESA-N 483.593 5.533 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ncc(Cc4cc(F)cc(F)c4)s3)o2)cc1 609056030 CHYZMZUYUYPRJY-UHFFFAOYSA-N 451.454 5.308 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609078322 IZZRPJDAKCZDIF-RUZDIDTESA-N 471.557 5.832 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(Br)c1 609107998 GHWWJXVMLBLJNF-UHFFFAOYSA-N 475.339 5.148 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c2)cc1 609175934 PVSFWGNYHSQELC-UHFFFAOYSA-N 469.522 5.404 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609371023 UKELBWWANYAXSE-LBPRGKRZSA-N 462.415 5.993 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 609398724 MKSYMUQDMFOXBA-XMSQKQJNSA-N 487.069 5.565 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 609400322 YHZQYFTXLUAPIE-MSQOXCFKSA-N 467.594 5.044 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccccc1 609420272 MVJDFVPHHHJAEJ-UHFFFAOYSA-N 497.418 5.162 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 613997360 XFWISTMWRDDTNQ-NRFANRHFSA-N 475.662 5.598 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc(-c2c(F)cccc2F)cs1 620304608 SNHKZERMQNBDEE-SFHVURJKSA-N 474.492 6.222 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1)c1ccc(F)cc1 620692119 NZKZXZZQNHGCOR-UHFFFAOYSA-N 488.334 6.507 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC(F)(F)F)cc1 726416427 WCEGPSIHKCTJLP-SFHVURJKSA-N 483.487 5.136 30 20 JKED N#Cc1ccccc1/C=C\C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 726764933 ZLFQLACCTQHABK-SEYXRHQNSA-N 455.901 6.098 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C)c1C 727252947 UTXULMOALLEULM-QHCPKHFHSA-N 493.608 5.128 30 20 JKED O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C\c3cnc(-c4ccccc4)s3)cc2)cc1 727263845 JRRQRUIYTFRNKA-QINSGFPZSA-N 490.562 5.205 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)N1c2ccccc2Sc2ccccc21 728109738 CKEVVWYAPUVEAZ-SFHVURJKSA-N 496.544 6.105 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 728519222 ZKVPKFBSOQFTRT-RUZDIDTESA-N 475.589 5.602 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(CCCCC#N)C2=O)cc1 728776124 JAYVPFPGIIGRAV-HXUWFJFHSA-N 489.428 5.956 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)cc1Cl 728778372 POFJIAFHMBLAIB-FQEVSTJZSA-N 470.982 5.003 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2CCCCC#N)c(Cl)c1 728779041 GKINHNWJODDJJK-NRFANRHFSA-N 483.037 5.289 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCCCC#N)cc1 728779311 YBEQHSRWKBYLIR-LJQANCHMSA-N 489.428 5.956 30 20 JKED N#C[C@@H](C(=O)CCc1cc(Br)cs1)c1nc2cc(C(F)(F)F)ccc2s1 730689583 HCPPMBMXBQLVPW-LBPRGKRZSA-N 459.312 5.948 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 730692118 TYFONFCPKJYRPZ-MRXNPFEDSA-N 482.512 6.119 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 731114744 XAXOLSKMFAMYAR-ORAYPTAESA-N 457.905 5.163 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCCOc1ccc(Br)cc1 731288170 QHBVTJPPJSSVOD-LJQANCHMSA-N 453.336 5.380 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCc2c(F)cccc2F)C1=O)Nc1cccc(O)c1 731310531 JXTIBZJVEMPRSJ-JOCHJYFZSA-N 499.514 5.013 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731312579 MUQSZNDBZKUXBK-QHCPKHFHSA-N 459.571 5.448 30 20 JKED C[C@@H]1C/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3c(C(=O)Nc3cnn(CC#N)c3)c2C1 747434448 MRVIBCNDZZUMBO-SRMPHAGFSA-N 476.584 5.396 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)cc1 747603536 SSDRHDZWJMCSHD-QFIPXVFZSA-N 492.670 5.525 30 20 JKED CC(C)N(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(N2CCOCC2)cc1 751181267 KRRYKKALOIPUPR-UHFFFAOYSA-N 455.558 5.029 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1F 808307325 OOYGGKQXEYPECG-GOSISDBHSA-N 475.574 5.362 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837548476 PFBJITIWZGZEOX-YADARESESA-N 488.613 5.592 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(C3CCCC3)C2=O)cc1 838548444 NNILLTOGNXOYLW-NRFANRHFSA-N 471.529 5.070 30 20 JKED O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 857438877 ALPMBSGBPDRJOC-IBGZPJMESA-N 462.409 5.516 30 20 JKED C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(F)ccc1N1CCC(O)CC1 857462589 NQNWKRUFYKQVSP-GFCCVEGCSA-N 478.408 5.315 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 899915393 USGAYOFNSZWQRC-DXPJPUQTSA-N 472.570 5.111 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 915102166 SRNOCABKHCHASE-JOCHJYFZSA-N 478.017 5.511 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 915174955 JJNFCMNHKCXPQV-UHFFFAOYSA-N 478.339 5.858 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1 915181087 WYOQOSOTRJYRBA-SUOUMBACSA-N 488.576 5.694 30 20 JKED CCOc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 915991891 JWBKLUFRKPITCP-SOFGYWHQSA-N 486.480 5.207 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C[C@@H]1CCCO1 916206951 VYPDVKKTMKLVBZ-MGPUTAFESA-N 493.963 5.066 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1F 916211149 KPAWXIYPNZKPGA-FQEVSTJZSA-N 486.931 5.174 30 20 JKED O=C1Nc2c(Br)cc(F)cc2C1=NNc1ncnc2sc(-c3ccccc3)cc12 916311374 DHPJCOSJHNNUMK-UHFFFAOYSA-N 468.311 5.028 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887374 NPBFXQYYNVZFBR-AWEZNQCLSA-N 475.498 5.178 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OCc1ccccc1 916928627 PLBMEXPNOLQHSZ-SFHVURJKSA-N 499.350 5.551 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(OC)c(Cl)c3)s2)cc1 916938664 CDIFHSAYQHLGFD-KRWDZBQOSA-N 469.950 5.140 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1 916947797 BCIGSHYFCCYDGN-UQBPGWFLSA-N 495.645 5.114 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 916951228 XYHQNBOYPFWHKK-YCRPNKLZSA-N 468.479 5.674 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)COc2ccc(C3SCCCS3)cc2)cc1 916953120 AKXCFIURLFKUFA-HTAPYJJXSA-N 468.644 5.795 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc(Br)c1OC(F)F 917143066 GUTJPHMIGHRDST-WTKPLQERSA-N 466.278 5.082 30 20 JKED CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CC2 917559535 LJCLUJCKHAXIFX-ATVHPVEESA-N 463.559 5.162 30 20 JKED C[C@@H]1CCCC[C@@H]1OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917703479 NCLNGKBKOITRSA-YGOYIFOWSA-N 490.629 5.114 30 20 JKED Cc1sc(=O)n(CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1-c1ccc(F)cc1 918630591 AVSNRZKBVAMOQD-UHFFFAOYSA-N 489.547 5.264 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 919512697 KBGUCQMNTQQBJP-KRWDZBQOSA-N 474.513 5.143 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2C2CCCC2)cc1F 920167508 AAKUTITVYIKZOK-OAQYLSRUSA-N 483.565 5.044 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2c(C)noc2C)c1 920353150 BRUFOOFQEPPBMX-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cc(C)on3)C2=O)c1 920353436 JPKXYIRYMLONKI-DEOSSOPVSA-N 490.629 5.884 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cc(C)on2)c1 920358141 YQNVEBIUEIMGJB-QFIPXVFZSA-N 462.575 5.014 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806453 LPFJGMSSFFEPEL-GOSISDBHSA-N 466.488 5.449 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 921011112 OXERWJHKQJSFML-UHFFFAOYSA-N 460.896 5.949 30 20 JKED C=CCc1cc(OCC)ccc1OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 921240732 OGPGLVFJTZGBDC-UHFFFAOYSA-N 472.379 5.034 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1)c1ccc(O)cc1 1785912499 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1821333371 CIUZKQHTHOYCBS-NRFANRHFSA-N 485.426 5.568 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)[nH]n1 1821925496 UWZHLJUXTWDQQJ-IERDGZPVSA-N 499.587 5.414 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(Br)c(F)c2)[nH]n1 1821926859 XXOINYRDWBHHOP-MGPUTAFESA-N 491.405 5.148 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1822376651 OPLLXOQUDJQISR-BEVROLAMSA-N 475.058 5.348 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1822582663 RLDXHJWLILFTDO-HSZRJFAPSA-N 468.557 5.809 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1Cl 1823185451 CAQYLFQUDKCBJA-VGOFRKELSA-N 475.980 5.618 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)nc3)[nH]n2)c1 1823211996 DTPWKEHNHUIBFU-MBSDFSHPSA-N 484.604 5.349 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)[nH]n3)[nH]n2)c1 1823219163 YACBKKBFLODBRS-CJAUYULYSA-N 493.571 5.047 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)C1 1823702333 ZRGDVDYZLILAJO-HXUWFJFHSA-N 452.492 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnccc2C(F)(F)F)CC1 1824139078 FBSUDLUZJZDAGQ-XMMPIXPASA-N 491.598 5.421 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1824145750 LLMQLTYKVKOCFF-RUZDIDTESA-N 460.622 5.078 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1)C(F)(F)F 1824242941 PCZPPHWMHXBWOI-VXKWHMMOSA-N 450.545 5.164 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)CC1 1824447195 VHPHEGNHMGHYNB-ZJSXRUAMSA-N 477.020 5.246 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1 1824537825 GBUUDKKRJRDIIO-FTJBHMTQSA-N 481.706 5.282 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1824542069 RUCHUXHSKGSGCW-ICSRJNTNSA-N 475.457 5.320 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1825766602 RKHOAUWUKAUDQO-SANMLTNESA-N 496.611 5.263 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4ccoc4s2)CC3)c1 1827693699 RXUCOEREYAFUOU-GUYCJALGSA-N 476.583 5.117 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1827713999 AMNYBORPXGIXCS-AREMUKBSSA-N 496.611 5.263 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)CC1 1828526782 ZABGNMCTKYOELH-DNQXCXABSA-N 464.606 5.443 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1828826692 KBIBWIABJFXENK-SQJMNOBHSA-N 451.586 5.309 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccnc2C)CC1)c1ccccc1 1829030345 NMQINVBXPBFECF-VMPREFPWSA-N 485.672 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)CC1 1829180241 IJBRYVHINJSTIA-IBGZPJMESA-N 466.453 5.614 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cnccc4c3)CC2)c1Cl 1829690207 QERFUNRMANYQLL-VWLOTQADSA-N 487.003 5.307 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1829701044 DSTLQZVZHMSIOS-DEOSSOPVSA-N 475.976 5.505 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1829937306 DIYCWNUFYDEUES-HSZRJFAPSA-N 469.507 5.124 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830408527 LVJUPGQETAXVBS-XMMPIXPASA-N 474.686 5.092 30 20 JKED COc1cc(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1830463138 KOKHLGWGOZCHEJ-SANMLTNESA-N 482.741 5.288 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)cc12 1830721996 YBJHKMUIOIVYGY-AREMUKBSSA-N 489.019 5.549 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nscc23)CC1 1830970628 ATYVAVNYQIYNGN-YKSBVNFPSA-N 451.636 5.298 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1)C(F)(F)F 1831451516 WQHPSNXSUVFQHF-HSZRJFAPSA-N 485.550 5.409 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@H](C)S)CC3)c2c1 1831838995 JLIVIYBMEUIDLZ-PGRDOPGGSA-N 486.678 5.192 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1831850953 UYHPAKRKWFHONZ-OTOIZHKDSA-N 460.540 5.142 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)cc2C)CC1 1832030661 WPGRRNJWESOFDX-HSZRJFAPSA-N 473.455 5.184 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832561951 LBVAGSHHDOFFDW-QFIPXVFZSA-N 481.464 5.518 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1 1832628860 DXVCXLRRRRMDRE-AJTFRIOCSA-N 469.629 5.279 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cnc4[nH]ccc4c3)CC2)c1 1832633979 MWESFDSQDOMYIE-KDYSTLNUSA-N 497.643 5.056 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1Cl 1832654494 CJBPSWOHBCJQLA-RUZDIDTESA-N 494.035 5.086 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1Cl 1832658320 AOXBHWOLHRNHDK-XMMPIXPASA-N 480.008 5.076 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707732 IKAGVQNBNOOFMU-KKSFZXQISA-N 454.508 5.290 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)CC2)c1Cl 1832849350 IZPZYCSGTWDMGF-DEOSSOPVSA-N 494.010 5.316 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)CC1 1835817082 QBNWPUDSLSETAB-UHFFFAOYSA-N 497.577 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)CC1 1838261774 NAFLPEVJSXDRDN-RUZDIDTESA-N 485.068 5.139 30 20 JKED O=C(/C(=C(/S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1ccc(F)c(F)c1 10174122 RMJLAQZSZDAWMJ-UHFFFAOYSA-O 453.412 5.202 30 20 JKED COc1ccc(-c2nc(COC(=O)c3cc(C4CC4)nc(SC)c3C#N)cs2)cc1OC 10711854 PIYRKYSSCZWDKK-UHFFFAOYSA-N 467.572 5.050 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(CO)c2)c1 14872090 BGYLUTMDASMJBQ-UHFFFAOYSA-O 467.614 5.747 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)n(-c2cccc(F)c2)c1C 16627127 JICFUOOADQECPG-UHFFFAOYSA-N 486.532 5.367 30 20 JKED Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1C 16833718 IIVZFCWBLGFXGP-HNNXBMFYSA-N 452.605 5.675 30 20 JKED C[C@@H](OC(=O)c1cccc(OCc2cscn2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 17738370 HZAVSYIPWWGHKW-OAHLLOKOSA-N 481.599 5.108 30 20 JKED C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 17758346 NNMCUGRBVZKEFO-LJQANCHMSA-N 473.627 5.347 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1)c1cc(F)ccc1F 22693569 IJUMESHZJABGFD-UHFFFAOYSA-O 453.412 5.028 30 20 JKED C=CCn1c(SC[C@@H](O)COCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 24096272 ULOZUDMQZQWXER-IBGZPJMESA-N 450.391 5.108 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)o2)cc1 24509962 IIBNUFWCPULIKN-UHFFFAOYSA-N 457.559 5.114 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 25049136 DZOLQLGGSPDROZ-HSZRJFAPSA-N 497.002 5.233 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 28695883 PFCMCVISXOJQMH-UHFFFAOYSA-O 476.666 6.087 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 33197113 PWKSAQLENUFPIU-KBPBESRZSA-N 488.407 5.441 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)nnc1-c1ccco1 45643501 PZOHUBYBPUQAQI-UHFFFAOYSA-N 474.590 5.298 30 20 JKED N#Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)ccc1OCC(F)(F)F 107588014 YWQWCLBZADGPKT-UHFFFAOYSA-N 488.775 5.610 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 112525116 RXERDGVKNNJYHY-OAQYLSRUSA-N 454.574 5.567 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)NC3CCCCC3)cc12 195600184 MGBGOSUFAXLGCJ-INIZCTEOSA-N 489.428 5.533 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)c2)c1 195694183 SWQHSYFIDBFZEE-UHFFFAOYSA-N 473.330 5.542 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)ccc1SC 214949245 NZABXLGQPBFIRU-VURMDHGXSA-N 460.527 5.733 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 302941093 BPKWVGJCELZNKQ-UHFFFAOYSA-N 479.380 5.969 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1F 302999508 XWYAOJGEZZXCTL-HNNXBMFYSA-N 460.962 5.263 30 20 JKED Cc1cc(N2C[C@H](C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2=O)ccc1Br 303358692 PKODZVTZGDRIIV-JKSUJKDBSA-N 472.408 5.143 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccccc1OC 476840636 CDRHEVWHTYWKHL-OAHLLOKOSA-N 451.527 5.491 30 20 JKED COc1ccc(CCCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 481742947 PGQXKZYXDCHPJO-UHFFFAOYSA-N 463.509 5.048 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)cc1C 498310668 TYHYSCIIPAJMOT-FQEVSTJZSA-N 455.606 5.565 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 512865295 SBWDWIVFJSYLDM-UHFFFAOYSA-N 498.560 6.583 30 20 JKED N#C[C@@H](C(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccc(C(F)(F)F)cn1 513170983 OEAUQHWTNFHRBU-GOSISDBHSA-N 475.264 5.932 30 20 JKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1N1CCCC1=O 513931340 HMMUWYKKZCWKEC-UHFFFAOYSA-N 472.520 5.067 30 20 JKED CCOc1ccc([C@@H]2CCCN2CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 514329724 MVXNVXBQDRMGOU-VWLOTQADSA-N 460.578 5.182 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccc(C(F)(F)F)cc2)no1 514800433 OFSDEPNGYUDQPZ-UHFFFAOYSA-N 457.481 5.416 30 20 JKED CCc1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 517121614 GZNRDPFNPSZVLK-VWLOTQADSA-N 471.988 5.688 30 20 JKED C=CCN(C(=O)Nc1ccccc1OCCc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 518256182 PGARBNRWDRMZQH-OAQYLSRUSA-N 468.561 5.065 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(SC)cc1 518256332 BCYCQFSUQPNVTP-QHCPKHFHSA-N 461.543 5.498 30 20 JKED Cn1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(-c2ccccc2Cl)n1 518719802 IBILCVPRIYKYSP-ZDUSSCGKSA-N 454.889 5.632 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccsc3NC(=O)c3ccc4c(c3)CCC4)CC2)c1 519139564 VPJFSPJPCIXUAE-UHFFFAOYSA-N 471.582 5.044 30 20 JKED COc1cc([C@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)ccc1OCc1ccccc1 522569474 QBLYTHGGLAOXDA-FQEVSTJZSA-N 482.536 5.809 30 20 JKED Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 524012006 AJXMNWVJZVLBQR-JOCHJYFZSA-N 457.961 5.090 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3I)cc2Cl)c1 524390000 LJBZPVRSDLRQIH-UHFFFAOYSA-N 488.712 5.648 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(Cl)cc2)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 595986724 KUCUZIABHDNEQK-MRXNPFEDSA-N 464.982 5.137 30 20 JKED C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 603758707 BVODIJUPLOGRCY-DYESRHJHSA-N 459.933 5.138 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1 603761561 IJRSCWPNQRZRHX-UHFFFAOYSA-N 459.449 5.294 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccc5ccccc45)C3)cn2)cc1 603765316 VOIPMOBKXNOVHN-JOCHJYFZSA-N 476.536 5.390 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)c1C 603836641 RKIMLANHXKMZBY-OAQYLSRUSA-N 470.554 5.279 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 603946478 KFAVYUHMMLTDSC-LBPRGKRZSA-N 470.019 6.273 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2)c1 603968006 GTIGOHKBGPXRTP-UHFFFAOYSA-N 483.549 5.565 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)c([N+](=O)[O-])cc1OC(F)F 603992273 OWUBKZYKUNFVJJ-UHFFFAOYSA-N 471.441 5.156 30 20 JKED Cc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(OCc2ccccc2)c1 603997356 FZWMHCRAWBNDHY-UHFFFAOYSA-N 482.540 5.549 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 608849628 DLUMQMWDIQJPCX-UHFFFAOYSA-N 468.026 5.563 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc(OC)c1OC 609008269 WJIKZGNMZNXWLZ-HNNXBMFYSA-N 480.571 5.122 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 609080577 ORHSEOOSIHBHSB-HNNXBMFYSA-N 450.882 5.582 30 20 JKED CC(C)Oc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(C(F)(F)F)c1 609189015 SBJRTWQJJBFGOT-UHFFFAOYSA-N 454.448 6.196 30 20 JKED O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301642 TWIIAWSWWCEKIU-QWRGUYRKSA-N 459.312 5.094 30 20 JKED O=C(Cc1csc(-c2cccc(F)c2)n1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642157906 OSTKJEPEHLEIQI-VXGBXAGGSA-N 454.411 5.517 30 20 JKED N#C[C@@H](C(=O)c1cccn1Cc1ccncc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 726322202 RBRQHVQHLQEOLG-KRWDZBQOSA-N 453.354 5.852 30 20 JKED C=CCn1c(-c2ccco2)nn(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1=S 727429252 JCVOPQUGASCTDB-GOSISDBHSA-N 451.379 5.198 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 727999954 WZEXAFYNSSIWOA-RUZDIDTESA-N 471.944 5.693 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 728004588 BJUFEGIAESJKAE-UHFFFAOYSA-N 498.004 5.073 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 728422380 APRKEPGIQGSKRP-NTKDMRAZSA-N 483.597 5.292 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(Cl)nc3sccn23)cc1Cl 728502643 PGGLFZXBRYYQIP-OAHLLOKOSA-N 463.371 5.159 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2CCCCC#N)c1 728777797 OVVCADAAZHOWLE-HXUWFJFHSA-N 499.980 5.211 30 20 JKED CC(C)c1nc(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)nn1-c1c(Cl)cccc1Cl 729025243 YINPAVSUTICOHN-UHFFFAOYSA-N 492.750 5.018 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729069719 MJRVKRMNTKCYLL-HXUWFJFHSA-N 483.351 5.851 30 20 JKED CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 729558576 IAIJNGVNRCQPCS-JOCHJYFZSA-N 478.593 5.195 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ncccc3C)C2=O)c1 729634738 SAKXRFFVMMSEEY-QHCPKHFHSA-N 476.577 5.306 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)c(F)c1 729819068 UPYJYDOCFYBUOU-QFIPXVFZSA-N 494.498 5.136 30 20 JKED C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2[N+](=O)[O-])C1 731068303 ZFPVZMQWMQELPS-QZTJIDSGSA-N 496.589 5.021 30 20 JKED CCn1ncc2c(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc(-c3ccccc3)nc21 731072097 WJEUCOLGIUQGHU-GOSISDBHSA-N 499.596 5.308 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2Cl)c1 731305643 FNPPEOQIOOHJRA-JOCHJYFZSA-N 495.988 5.215 30 20 JKED COc1c(F)cc(Br)cc1S(=O)(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 731341024 YIWSEMVKRUVWOK-UHFFFAOYSA-N 477.311 5.062 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cccc(-c3ccccc3)c2)cs1)c1ccc(F)cc1F 746345286 CGJFPUBKSYFTHJ-QBFSEMIESA-N 460.505 6.669 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)nnc1-c1ccc(F)cc1 748837573 BZANTXOBVZMQSJ-UHFFFAOYSA-N 465.598 5.381 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 750302914 OMGDMQUKMAUPGU-FCHUYYIVSA-N 455.436 5.096 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(CC(F)(F)F)C1=O 799212196 GHLYPMMOEZSCSN-KRWDZBQOSA-N 485.915 5.180 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)cc1 837301016 NORIEKUBHOKRMI-OAQYLSRUSA-N 481.574 5.250 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N([C@H](C)c3ccccn3)C2=O)c1 837644107 WYHSNIDBQOHXRA-NTKDMRAZSA-N 488.613 5.429 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 838541849 NNXNEBZZJHIQJY-QVKFZJNVSA-N 466.513 5.081 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2F)cc1 839414715 MDXBZPYAMZATMV-UHFFFAOYSA-N 478.549 5.145 30 20 JKED CC(C)N(C)Cc1cc(O[C@H]2CCN(Cc3cccc(OCc4ccccc4C#N)c3)C2)ccn1 856559343 FRRUQIOOHPMENS-LJAQVGFWSA-N 470.617 5.026 30 20 JKED N#Cc1ccccc1OCc1cccc(-c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)c1 856576261 QRSKPWQUAQZANO-QHCPKHFHSA-N 456.546 5.083 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)C=C1 912823687 VIMONRDOUCREAW-UHFFFAOYSA-O 479.025 5.600 30 20 JKED C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915087348 SFHKGFYIHXSDLI-FNZWTVRRSA-N 473.598 5.157 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N2CCCCC2)cc1 915353746 WRFFTMHDTIGQFI-WUFINQPMSA-N 468.601 5.699 30 20 JKED COc1cc(/C=C(\C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)cc(Cl)c1OC 916156039 AEVGZSHWNZMQLY-UNOMPAQXSA-N 479.916 5.033 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CC2)C1=O 916204401 DWRYYVFGSJBJCG-GOSISDBHSA-N 482.364 5.264 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccccn3)C2=O)cc1 916204866 JMGKPKSLWITJHN-NRFANRHFSA-N 482.968 5.343 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 916205788 LPHNZWDQCJVYHG-HXUWFJFHSA-N 477.989 5.174 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 916210578 FAJFIHOUJHPYNE-GOSISDBHSA-N 467.488 5.461 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 916710713 FPGXJUJPZKQKHM-WQTVWLHISA-N 483.421 5.031 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(SC(F)F)cc1 916886616 HRVOMMGPGGYBCY-WSVPDTOYSA-N 456.392 5.261 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916926132 SMCDSKFAAYTLGY-GOSISDBHSA-N 474.904 5.146 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916928899 XVVPYLOVVCEEMJ-KRWDZBQOSA-N 483.311 5.475 30 20 JKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 916975787 FLLGHNFILWYSPC-LJQANCHMSA-N 465.987 6.228 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996522 JOOBRBUNJYOGLN-XLIONFOSSA-N 498.435 5.774 30 20 JKED CC[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)n1nnc(-c2ccc(Cl)cc2)n1 917042485 CLXCXCVXDKYGRY-GDBMZVCRSA-N 490.898 5.450 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1oc2ccccc2c1COc1ccccc1 917505945 SBDRIORLUVBRJB-FQEVSTJZSA-N 484.508 5.339 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 917644553 HITATFDLBSWRJM-VXLYETTFSA-N 467.915 5.786 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2OC)ccc1Cl 917798031 MXLXLTCRMLQCPI-UHFFFAOYSA-N 470.978 5.291 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 918291103 SFDTVKVXPLBDAS-CLJLJLNGSA-N 455.533 5.467 30 20 JKED Cc1c(C(=O)OCC(=O)NCc2ccc(F)cc2C(F)(F)F)sc2nc(C(F)(F)F)ccc12 919078788 FMVLGMCGKWCBRR-UHFFFAOYSA-N 494.388 5.255 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 919181716 BEUSFXXPYRLAAR-UHFFFAOYSA-N 491.762 5.045 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3ccc(Br)cc3)n2)cc1 920144096 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N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)nc5ncccc45)CCC3)cc2)CC1 1787881109 HLYPMHSCHAFJNH-UHFFFAOYSA-N 487.563 5.348 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccnn4C)c(Cl)s3)cc2)CCC1 1788380358 LCDVVHJOAMCRGD-UHFFFAOYSA-N 481.021 5.353 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)c1 1788725624 YYZBWIJLNCCIAW-UHFFFAOYSA-N 453.420 5.232 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc(N4CCCC4)ccn3)cc2)CCC1 1788747221 NWHVNNPNKVFPRA-UHFFFAOYSA-N 458.606 5.198 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5cc[nH]c45)cc3)CCC2)ccc1F 1789093667 FGBNVAPAAPBIMK-UHFFFAOYSA-N 466.516 5.169 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)cc2)CCC1 1789129448 LQWJTYQHIFXFSB-UEMOLPEBSA-N 493.648 5.102 30 20 JKED COC(=O)C12CCC(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)(CC1)CC2 1789194042 MMBBYIIUIRIMPU-UHFFFAOYSA-N 499.611 5.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5cnccc45)cc3)CCC2)c1 1789390167 ABTHVKPOKUYDQB-GOSISDBHSA-N 463.541 5.251 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Br)cn34)cc2)CCC1 1789394942 NKXUGJGBKSXTFU-MRXNPFEDSA-N 481.394 5.057 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccn4c(C)cc(C)nc34)CCC2)cc1 1789457873 DEBQBYFVXSLOHD-HSZRJFAPSA-N 456.590 5.467 30 20 JKED Cc1ncc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)s1 1789508120 NVZNRHOXBVBPIO-UHFFFAOYSA-N 453.684 5.250 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(ccc5ncccc54)s3)cc2)CCC1 1789998150 HEZLMMDUUAMSOZ-GOSISDBHSA-N 483.593 5.236 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnccn5)c4)cc3)CCC2)c1 1790079455 WGDIOYDDKGTKJO-UHFFFAOYSA-N 491.526 5.216 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)[nH]n4)cc3)CCC2)c1 1790124630 AOIYGNVXNXPCKK-UHFFFAOYSA-N 479.515 5.149 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790552921 LATWDXIWABKMCA-SFHVURJKSA-N 479.568 5.025 30 20 JKED COc1cccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)c12 1790707145 DSERWBOQKDURAC-UHFFFAOYSA-N 478.552 5.304 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791250484 RAGOUODFUJDWCO-KNQAVFIVSA-N 469.626 5.122 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791730068 FVVVLYYMPOYNCW-BJKOFHAPSA-N 495.664 5.398 30 20 JKED C[C@@H](NNc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792122235 MNECWKYWAOUVAL-LEWJYISDSA-N 481.600 5.067 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4S)CCC3)cc2)c1 1792122715 UYDXOMYWNSYCON-QGZVFWFLSA-N 456.571 5.059 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc(F)ccc4C(F)(F)F)cc3)CCC2)c1 1792172978 AESUSLXKAWWJSD-UHFFFAOYSA-N 470.426 5.106 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C 1793202049 ORCKWJFCSLPVTP-BJESRGMDSA-N 489.701 5.091 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)C2 1798416895 NJBYWCTYEIIEOG-NUNAXRQHSA-N 489.132 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Br)c1)C2 1798591694 ASJJKIXQEHCCRB-BJWYYQGGSA-N 467.835 5.347 30 20 JKED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 1800739957 JSJSOYWQHZDFQO-ZTVIYSTHSA-N 489.925 5.286 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802498934 PMNFFSWASIZWQR-KVZCNWPJSA-N 480.052 5.537 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1802503429 TXQYSCZWARBDOW-OZXSUGGESA-N 488.632 5.052 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1803089877 SCNVMCZXWAGOMY-STXQHDJLSA-N 477.624 5.435 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1804166313 HKJMUMXZTVRZNA-BOCWGRARSA-N 483.612 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1810181693 JSGNKWCJQXXVGJ-PMKNUOBQSA-N 451.655 5.462 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302654 BHPKNTHJDOZBAA-CUNXSJBXSA-N 495.623 6.293 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1812697814 NLFBLKCJFYIBAI-RCSBWOJUSA-N 490.648 5.276 30 20 JKED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1812810103 XTNHIBVTDACQRY-KCWPFWIISA-N 490.648 5.278 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)nc2F)[nH]n1 1814442273 JGSUTIANXUGELU-INIZCTEOSA-N 492.393 5.005 30 20 JKED Cc1c(Cl)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814599725 MEWZUQDEGYVZBK-HJPURHCSSA-N 475.980 5.618 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(Cl)c(F)c3)n[nH]2)c1 1814674899 ZBRAGXGCWXIXRB-WAIKUNEKSA-N 493.970 5.378 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815207118 QZFSNLNKZPLTJB-NRFANRHFSA-N 496.995 5.612 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2scnc2C2CC2)n[nH]1)c1ccccc1 1816254894 JRUFZLDQUOQIEJ-RBBKRZOGSA-N 487.629 5.247 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)cc1C#N 1816694220 IFCWEWKGWJCDMT-QHCPKHFHSA-N 477.609 5.345 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)ccc2[nH]1 1818117474 SPEARNYVADXJJV-LCCNJJIFSA-N 487.585 5.006 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932126 SMDQSAQNUYJPAC-TZIWHRDSSA-N 475.618 5.608 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820217713 LRWBFWYNNSSGLO-KSFYIVLOSA-N 491.979 5.053 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)c[nH]3)n[nH]2)cc1 1820307658 HIIYQMMSOCNTSQ-RUZDIDTESA-N 478.556 5.205 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cccc2Cl)n[nH]1)c1cccs1 1820430633 UEOBSRKLEWSXKK-OAGJVSPASA-N 486.956 5.009 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)[nH]n2)cc1 1821158938 MFSVDRWIQCJTPB-UPVQGACJSA-N 479.650 5.078 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c(C(F)(F)F)o1 1821178498 YINCFHINRAMZCJ-IBGZPJMESA-N 485.466 5.016 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)CC1 1821181859 ROQPEHJYHHYLFM-ZFJSRUIDSA-N 461.610 5.388 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(C#N)c2)n[nH]1 1821325902 UNZGRINMXGLMMU-JOCHJYFZSA-N 491.979 5.262 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H](C)Oc2ccccc2)n[nH]1 1821779883 BNASPUBMASAWQV-DENIHFKCSA-N 452.599 5.252 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(OC)cc2OC)n[nH]1 1821850217 BMDNLBVXNPDFTN-JOCHJYFZSA-N 482.625 5.044 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)n[nH]1 1822251833 LTRXMIPAUYKIKE-BQBKMSKFSA-N 485.426 5.180 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[nH]n1 1822395982 KQNUGEUSRCBXFO-FQEVSTJZSA-N 473.404 5.244 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1822582356 LDLXWLKOACRHAA-VWLOTQADSA-N 471.605 5.317 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212207 GSGWHDLGBVBCDG-HTAPYJJXSA-N 488.617 5.163 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)[nH]n2)c1 1823215840 HFQDPRDKOFSJFU-QKKBWIMNSA-N 481.478 5.074 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)[nH]n2)c1 1823218323 QPNWBOLQSXTEOA-IFXJQAMLSA-N 497.386 5.358 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4F)CC3)n[nH]2)c1Cl 1823446989 JQMBWKDIPLTUND-NRFANRHFSA-N 491.954 5.112 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCCCCCC(=O)OC)n[nH]1 1823533866 WDXPLRZNBAGFSY-OAQYLSRUSA-N 460.619 5.052 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CC2)C1 1823702155 HWVSPUITRDNHCA-HHHXNRCGSA-N 482.628 5.429 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)C1 1823704426 GPRYNWUVUAKDSZ-JOCHJYFZSA-N 482.974 5.487 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1823752708 LRPPERXZYNGBFY-XMMPIXPASA-N 477.649 5.876 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1824509573 CNYBBDJHYGLCQZ-UGKGYDQZSA-N 454.636 5.034 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cc(C)cs3)CC2)c1 1825207437 YYTCPTKUNPJKDC-VWLOTQADSA-N 463.647 5.103 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCC[C@@H]3C)CC2)cc1C#N 1828487723 DESMBTHLKVJZJU-OPXMRZJTSA-N 465.638 5.015 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828581346 HEFCFDPGEUGSPL-RUZDIDTESA-N 465.638 5.402 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1828828733 ROFVPUGNVQAHBP-PZJWPPBQSA-N 466.544 5.609 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(SC)cc2)CC1 1828828927 ALGZYOHLVWHJDH-RPBOFIJWSA-N 454.680 5.339 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1830348090 PJRUTFAINJBGSJ-OAQYLSRUSA-N 495.447 5.045 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1 1830578913 PPGBPWWXKJLCMW-HSZRJFAPSA-N 471.935 5.037 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc4cccnc4cc3F)CC2)c1 1830769924 CZFHOBNWEWSSAJ-NDEPHWFRSA-N 498.602 5.030 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)ccc3NC(=O)OC(C)(C)C)CC2)C1 1830802137 GXGJHTLVEWYVRX-VWLOTQADSA-N 495.664 5.542 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806484 VOCDBUMZWGDJKU-HRFSGMKKSA-N 496.598 5.456 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccncc34)CC2)c1 1830866907 JXCUEKVVSCVQIK-RBTNQOKQSA-N 480.612 5.409 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C1 1831059114 DGUHRQPXCGOJDH-OAQYLSRUSA-N 467.591 5.009 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1831202251 KOOZVOUUWPSQQX-MQJKTTPVSA-N 485.628 5.212 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1831317656 OVSCVQAJLQXHJA-SQJMNOBHSA-N 487.084 5.220 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1 1831787706 WAGSGZCXGJWWAJ-USZFVNFHSA-N 476.020 5.249 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1831925608 CJYSYMIANNBBEC-ZRRKCSAHSA-N 476.661 5.255 30 20 JKED Cc1cc2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c2cc1C 1832632435 QFDHCEZUIRMHFS-KDYSTLNUSA-N 497.643 5.354 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1836133433 VLKFZSUQIILWHB-JOCHJYFZSA-N 484.040 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCNc3ccc(C)cc3C)CC2)CC1 1838406355 CTDFJSZOBLFGEO-UHFFFAOYSA-N 483.697 5.096 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3sccc3Cl)CC2)CC1)c1ccccc1 1838416916 WZAAYAQJJGKGFE-QHCPKHFHSA-N 499.076 5.211 30 20 JKED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1844724310 YFVDFQSWSBTHTA-UHFFFAOYSA-N 461.528 5.120 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)COc2ccc(Br)c3ccccc23)C1 1844992678 BNPNRVGIQBQSBJ-UHFFFAOYSA-N 499.449 5.177 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(Br)cc(C(C)C)c2)C1 1845530145 ZUBBUWQGVBVMQT-OAQYLSRUSA-N 459.428 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)C1 1845642912 CODULRXELSPCFV-QGZVFWFLSA-N 490.829 5.169 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC2(CCCN2C(=O)c2cccc([C@@H](C)C#N)c2)C1 1846829946 GFJFRXKKKZFIIZ-INIZCTEOSA-N 456.373 5.060 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10753950 PUOAIIKLHGYXSO-UHFFFAOYSA-O 463.385 5.537 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(Cl)c(Cl)c1 11159382 YQTHDGPTEAEQDT-UHFFFAOYSA-O 458.434 6.511 30 20 JKED COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 14908393 HPOGCUZNGOPLFW-HOFKKMOUSA-N 469.541 5.007 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc(Br)c2)cc1 15247701 ROEWMPCSYNSCLH-UHFFFAOYSA-O 494.887 6.455 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)o2)cc1C 16657892 YQBMXGFRDWFTRB-UHFFFAOYSA-N 489.576 5.562 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)n(C2CCCCC2)c1C 16663835 VPHHYWXSGZWYIG-UHFFFAOYSA-N 495.674 5.010 30 20 JKED CCc1cccc(C)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 16939038 JWPSQFQEMJASGO-JOCHJYFZSA-N 459.571 5.598 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)nnc1-c1cccnc1 18404904 MCGJUWMORHDKDP-JOCHJYFZSA-N 476.005 5.960 30 20 JKED CCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 21670136 YNLFSVRTMINOAX-SFHVURJKSA-N 468.026 5.744 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22731184 AYFGOBDACMFQPS-UHFFFAOYSA-O 455.550 5.609 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731191 LCYGNJIQKKTMFS-UHFFFAOYSA-O 489.567 5.903 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(N3CCCCC3=O)c2)nnc1-c1ccc(Cl)cc1 24942985 ISMAFNLJBDFMRF-UHFFFAOYSA-N 482.009 5.032 30 20 JKED CC(C)CCC[C@@H](C)n1c(SCC(=O)Nc2sccc2C#N)nc2ccccc2c1=O 25199060 KVMANDZUNSIXRW-MRXNPFEDSA-N 454.621 5.448 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 25638539 YYDCRYBPARGWDT-NSYGIPOTSA-N 480.659 5.155 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 68787821 YQKOHSBJKHNFLI-QHCPKHFHSA-N 478.017 5.166 30 20 JKED N#CCCSc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 78668712 MIBVWVTWBUYXDS-UHFFFAOYSA-N 473.001 6.380 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 108948221 ZAQQOZKWQIWGOS-URFUVCHWSA-N 481.409 5.960 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 195704340 QVASILDVXWXMFV-UHFFFAOYSA-N 453.498 5.716 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cs1 302947047 MYLLGVRRJVABGH-HSZRJFAPSA-N 490.053 7.305 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4ccccc4Cl)CCOCC3)cc2Cl)c1 303325546 RZOYQGRZJCNOBH-UHFFFAOYSA-N 481.379 6.131 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 409855585 NHUIDYDRDHNDMS-UHFFFAOYSA-N 465.582 5.514 30 20 JKED CC1(C)CC[C@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c2ccccc21 481383561 UACBQCOZCRQWKL-DEOSSOPVSA-N 471.532 5.144 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)c2)cc1 482881004 XDTGGAMDAURSRZ-UHFFFAOYSA-N 469.522 5.436 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccnc2)nnc1-c1ccc(Cl)cc1 485790096 RVDSSVRTAPJEFH-HSZRJFAPSA-N 476.005 5.177 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 485846926 QKDHXWHAJYPSFR-UHFFFAOYSA-N 475.529 5.762 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)c2)cc1 486607282 RFAAOFVJHAACMB-NRFANRHFSA-N 468.488 5.559 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 487996545 ZAZGQBJEQAQNCA-UHFFFAOYSA-N 491.513 5.057 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 501127448 GQABDOAPJAUNPA-CQSZACIVSA-N 488.400 6.253 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1SC 503549272 BMWFGTKZFYXWDC-CQSZACIVSA-N 459.936 5.592 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 508253833 UAIQIHFPFOKJDB-QHCPKHFHSA-N 473.529 5.745 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 508401305 JPNLPYSFYINSML-UHFFFAOYSA-N 477.612 5.838 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)c(F)c1 508580353 FNVJXMIFXGMINF-UHFFFAOYSA-N 486.528 5.611 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)cc(=O)n(-c3ccccc3)c2C)cc1 509085358 ZPBSRQZRHGJEPI-UHFFFAOYSA-N 465.509 5.379 30 20 JKED Cc1nc2ccccc2n1CCCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509885035 XIYRJCYBZGGRSX-UHFFFAOYSA-N 453.546 5.202 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 510614382 IJZDPVMALWAUMQ-HSZRJFAPSA-N 459.977 6.224 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C2CC2)o1 511499207 MIYRWQFJPVCZQX-OSPHWJPCSA-N 454.530 5.723 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 511561750 JFJZOIBKODDQCX-UHFFFAOYSA-N 473.488 5.712 30 20 JKED COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(OCCCC#N)c3)C2)c2ccccc12 511634057 KKURRNCNHWCHSW-HXUWFJFHSA-N 471.557 5.022 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1 513653112 DGMBWOPWKUQYSD-FQEVSTJZSA-N 454.555 5.103 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1Cl 515131450 WJQBWUQVUUOFGF-HXUWFJFHSA-N 490.903 5.230 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)c2)cc1 515577001 HQCJQTZLQAKMAT-UHFFFAOYSA-N 456.473 5.895 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1nc(-c2ccncc2)cs1 517891512 OCXWRDHFPGRIQK-GOSISDBHSA-N 494.345 6.389 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 518168816 LIOSWGIGGJJPEJ-OAHLLOKOSA-N 477.417 5.235 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1ccccc1 518751398 RJPFZHYYXTZSMV-FQEVSTJZSA-N 475.614 6.332 30 20 JKED COCCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H](C)c1cccc(C(F)(F)F)c1 519909524 CQBSFNOEUJUWAX-INIZCTEOSA-N 488.535 5.866 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 520829564 DUOJDQFRBXVNEN-IRXDYDNUSA-N 473.545 5.031 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)c1 521739852 JLOULHOVCDHLNL-INIZCTEOSA-N 463.525 5.486 30 20 JKED CCc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 523968072 WDVDXVHUGQMTIK-QFIPXVFZSA-N 475.932 5.145 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(COc3cccc(Br)c3)o2)c1 524114430 XRQJBYIOAXZEOR-UHFFFAOYSA-N 463.234 5.346 30 20 JKED O=S(=O)(N[C@H](CC(F)(F)F)c1ccccc1)c1cccc(COCC(F)(F)C(F)F)c1 524335904 QEFPIPNQRKMGEC-MRXNPFEDSA-N 473.410 5.076 30 20 JKED N#C[C@@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1 590209129 WRYSYFDBYDSIRT-SFHVURJKSA-N 465.525 5.385 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc(Br)cc2)CCC1 603738810 SCRVDZSYFJIBEY-UHFFFAOYSA-N 462.347 5.877 30 20 JKED CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 604141646 VKTCKOIBKGOYGR-HTAPYJJXSA-N 491.975 5.219 30 20 JKED CCN(C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)c1ccc(F)cc1 604221737 WYOKIAHAVVZUCK-LJQANCHMSA-N 459.521 5.019 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCCOc3ccc(F)cc32)c1 604440786 TZDSQPHOTCPPSB-JOCHJYFZSA-N 475.545 5.072 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 604490861 MQZIGXUESJXTFB-UHFFFAOYSA-N 456.329 5.341 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 608920307 JZURXQQQKBSTRH-UHFFFAOYSA-N 461.569 5.368 30 20 JKED CC[C@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 609019396 SXWCITLUKQOJCF-PKOBYXMFSA-N 450.564 5.048 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(F)cc1I 609061209 MCYBXMVBRKHQCQ-UHFFFAOYSA-N 486.284 5.442 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 609078682 HSOVUMXQURRAAV-NRFANRHFSA-N 476.527 5.372 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc2ccccc2n1CC#N 609167655 OHBCKTFSFPXWTH-UHFFFAOYSA-N 476.458 5.997 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1c(F)cccc1F 609378533 SPUYZMHLBIECPX-QGZVFWFLSA-N 471.451 5.195 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)cc2)c1 609434139 XLGZSVISSFXOAT-HSZRJFAPSA-N 451.885 5.748 30 20 JKED Cc1cccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 609439846 PDKXTDACEDRYMP-IBGZPJMESA-N 459.571 5.437 30 20 JKED N#C[C@H](C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc(-c2ccc(Cl)cc2)cs1 612894870 UHFCLAOVHOPMOC-HXUWFJFHSA-N 486.018 5.128 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1nc2cc(C(F)(F)F)ccc2s1 613404407 LYTFFXIABXETGU-CQSZACIVSA-N 470.451 5.619 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)nnc1-c1ccc(F)cc1 613937891 RRPPZYMDLAFZBB-JOCHJYFZSA-N 466.582 5.125 30 20 JKED C=CCn1c(SCC(=O)NC2(c3ccccc3)CCC2)nnc1-c1ccc(Br)cc1 613938311 FLLOSAHQUYEDRS-UHFFFAOYSA-N 483.435 5.181 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1 614513020 ANQLDXDKDMGCOI-UHFFFAOYSA-N 496.061 6.142 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCC(=Cc2cccc(F)c2)CC1 615683177 PXJBAFGLAVWGNY-HOTGVXAUSA-N 452.414 5.924 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2ccco2)nnc1-c1ccc(Cl)cc1Cl 620677426 GWKBEROSAVHZPD-JOCHJYFZSA-N 499.423 6.029 30 20 JKED COc1cc(Br)ccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 623584335 MNMMJJRJEJHDJE-LBPRGKRZSA-N 455.255 5.576 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2CCCC)nnc1-c1ccc(Cl)cc1Cl 642310508 PBJCYXUMLZJJSS-UHFFFAOYSA-N 465.410 5.165 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 726322333 VJZUCJILTXREJQ-NYHFZMIOSA-N 470.504 5.812 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cc(OC)ccc1OC 726394385 FQRMCKLIUMEGQQ-QHCPKHFHSA-N 475.570 5.003 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(F)(F)F)C2=O)c1 726405412 FCEXZTLPTBDLIT-SFHVURJKSA-N 494.926 5.351 30 20 JKED C=C(C)COc1cc(/C=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)ccc1OC 726624757 ADSZSKXFJOOMIJ-SRZZPIQSSA-N 457.573 5.073 30 20 JKED CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(C(F)(F)F)c1 726727224 ORKXHLCMOVJKBD-HSZRJFAPSA-N 495.501 5.403 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 728032833 PZURFGIJRWEYHF-UHFFFAOYSA-N 497.507 5.252 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)cs1 728156108 BEFDLVXBIXGDGQ-RUDMXATFSA-N 498.429 6.066 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 728780271 PFMWHNYYQNWJAR-QHCPKHFHSA-N 474.561 5.633 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1OC 729430611 YWVSIOVWUCBMEA-FQEVSTJZSA-N 475.574 5.061 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 729555090 FJIHSBHJODYNMH-REWPJTCUSA-N 491.592 5.389 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCOCC2CC2)C1=O)Nc1ccc(F)cc1F 730944158 RLMIKWGRLUNNPD-HXUWFJFHSA-N 493.963 5.005 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)c3cccnc3)C2=O)c1 730944902 HWERFCQTOGXDSE-GAJHUEQPSA-N 494.567 5.698 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1 730951501 IBUSDPMHXBDAQT-LBPRGKRZSA-N 467.563 6.440 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)c1 730981951 FKBIXPINZOWQAB-UHFFFAOYSA-N 466.584 5.329 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)COc1ccc2oc3ccccc3c2c1 731060773 PZROCYSJYXFDAC-QGZVFWFLSA-N 474.538 5.398 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 731070492 MLVVOWMWAOLSDF-OAHLLOKOSA-N 488.491 5.081 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1 745268100 NSMMEOGOXBHPRF-RUZDIDTESA-N 472.614 5.006 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 745625548 BNKOVSMFBNGAEG-CMDGGOBGSA-N 475.854 5.706 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(SC(F)F)cc1 745723605 CUOIUXQQOWPSCJ-UHFFFAOYSA-N 457.546 6.724 30 20 JKED CCOc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4F)n3)oc12 746006323 FPQCJVPZTALSOE-NTMALXAHSA-N 468.481 6.147 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c1 747599886 LKZHUUBCGDFVHL-FQEVSTJZSA-N 468.579 5.060 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)c1 750766826 XHLTZWOARLTIHA-DEOSSOPVSA-N 477.358 5.113 30 20 JKED C[C@@H](Sc1nnc(CSc2nc3ccccc3s2)n1C)C(=O)N(CCC#N)c1ccccc1 752608153 DLMPLNJCSOETGN-MRXNPFEDSA-N 494.671 5.145 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 837423236 FDAFCJYRSWHOKV-WZONZLPQSA-N 476.577 5.559 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 837551305 HNHDWXYWBQIILF-KBMIEXCESA-N 480.593 5.956 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 837747591 XHHPVRIMPJJAKK-QVKFZJNVSA-N 482.968 5.596 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1 900680122 YKBLFQMHXUTEHG-HXUWFJFHSA-N 472.516 5.166 30 20 JKED CC(C)n1ncc2cc(/C=C\C(=O)c3ccc(OCC(=O)Nc4ccccc4)cc3)c(Cl)nc21 913617481 DCNWMTCVKYVZHK-RAXLEYEMSA-N 474.948 5.579 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)Cc1cccs1 914689907 CVVSKJSTBCCQFN-KSFYIVLOSA-N 497.617 5.487 30 20 JKED O=C1/C(=C\c2cnc(N3CCCC3)nc2)CC(c2ccccc2)C/C1=C/c1cnc(N2CCCC2)nc1 915043887 CUDAYPMXXQZUBW-JUZYOEKXSA-N 492.627 5.081 30 20 JKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2cnn(Cc3cccs3)c2n1 915086668 WBTUSUAZUHRBSW-XMMPIXPASA-N 463.566 5.757 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CCc2ccc(C)o2)C1=O 915111332 LLBLQAOLMKCFCR-QHCPKHFHSA-N 477.586 5.108 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)c2nccs2)ccc1Cl 915154249 LPKHQPQRIHQJGR-UHFFFAOYSA-N 482.414 5.108 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(NC(=O)NC2CC2)cc1 915683790 HLMZARBKWBUHNR-CJAUYULYSA-N 453.546 5.509 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)s2)cs1 915750896 GKLFIOGAJQPRRY-JOCHJYFZSA-N 486.622 5.133 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)N2CCSC2=Nc2cccc(Cl)c2C)cs1 915812859 VZONMBDIVAJZEK-UHFFFAOYSA-N 474.995 5.064 30 20 JKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OCc1ccc(F)cc1 915849086 WRJHCNMPXFDBGV-OEAKJJBVSA-N 462.546 5.922 30 20 JKED N#Cc1ccc(/C=C2\CN(C(=O)c3ccccc3Cl)C/C(=C\c3ccc(C#N)cc3)C2=O)cc1 915990417 PSSNMUYFOVEOSE-RNIAWFEPSA-N 463.924 5.275 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1Br 916206186 XSSGEHXJCDIFJK-KRWDZBQOSA-N 496.789 5.364 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccccn3)C2=O)cc1 916217415 MTYCYHBZPAHDHI-HSZRJFAPSA-N 488.613 5.258 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CC3)C2=O)c([N+](=O)[O-])c1 916217438 NDSLMQKBSBKZAV-GOSISDBHSA-N 492.479 5.045 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl 916683972 ORUBYCYITCRGOG-JOCHJYFZSA-N 478.955 5.293 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(CSc2ccccc2)cc1 916887992 RTVRGVBPCZQQAO-OAQYLSRUSA-N 468.550 6.255 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1nccn1-c1cccc(Cl)c1C 916906272 GTSMKYXIQQBFKR-LJQANCHMSA-N 481.021 5.399 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(OCc2cccs2)c1 916909745 QUJHAKPCBDOSST-QHCPKHFHSA-N 468.534 6.081 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl 916910468 HQAGJTIKLQAPQX-CQSZACIVSA-N 472.353 5.577 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2n1C(F)F 917044604 SZJHVLDUQNZXGG-IBGZPJMESA-N 479.870 5.571 30 20 JKED C[C@@H](c1ccccc1)n1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccccc1 917254665 VLSSKWXZANBXEF-IBGZPJMESA-N 478.581 5.080 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2ccc(C#N)cc2)C1=O 917669993 HXQKPLUCYBIJBB-VWLOTQADSA-N 498.608 5.344 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2)n1 917673620 PDNQCATURWXUIK-NRFANRHFSA-N 464.978 5.204 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)c([N+](=O)[O-])c1 917677361 CQNIAVQLQQUCAR-HXUWFJFHSA-N 498.561 5.264 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccsc2)C1=O 917681348 OFHZUOUTMJRTIL-FQEVSTJZSA-N 486.018 5.571 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccsc2)cc1 917684438 KLQXPIVGUXIQOR-QFIPXVFZSA-N 479.627 5.534 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)Nc1ccc(F)cc1F 917699358 SLRXLPKUDOOTRA-NRFANRHFSA-N 451.498 5.241 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 920141922 NQEYHNPRMIRMJH-SFHVURJKSA-N 459.918 5.194 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2c(C(C)C)cccc2C(C)C)no1 920360289 VWQRABAYFRUWGZ-NRFANRHFSA-N 468.623 5.030 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCc2cc(C#N)ccc2F)c(OC)c1 920669664 ZTSMVSIMRYOQPE-UHFFFAOYSA-N 458.489 5.539 30 20 JKED COc1ccc(C(=O)/C=C\c2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1Br 921261619 MYFFZTPMFDXLPB-HYXAFXHYSA-N 490.228 5.212 30 20 JKED N#Cc1ccc(CN(Cc2cc(F)ccc2Br)c2ccc3nc(O)[nH]c3c2)cc1 1652763943 MBKASMPSYWWUEA-UHFFFAOYSA-N 451.299 5.249 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccc(F)cc4F)cc3)CCC2)c1 1786325985 XKVZENLXNMBDRA-UHFFFAOYSA-N 477.536 5.376 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C45CC(C(F)(F)F)(C4)C5)cc3)CCC2)c1 1786461387 FVMCKXARRGGUFZ-HHDZUXODSA-N 481.518 5.794 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCOc4ccccc4)cc3)CCC2)c1 1787677086 RNDLJLMAWZOMER-NRFANRHFSA-N 467.569 5.530 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cccc4[nH]ncc34)cc2)CCC1)c1ccc(O)cc1 1788441989 GMKPITOBTZAGRV-NRFANRHFSA-N 492.579 5.213 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ncsc45)CCC3)cc2)c1 1790073118 NCKQOTZKTYWLPU-UHFFFAOYSA-N 482.565 5.238 30 20 JKED COc1c(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc2ccccc2c1Cl 1790092339 BPPIAWKNKHPSFD-UHFFFAOYSA-N 461.949 5.553 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)cc4F)cc3)CCC2)c(Cl)c1 1790662513 RVVCSIVOVRFQOU-UHFFFAOYSA-N 463.896 5.118 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c(F)ccc(O)c4F)cc3)CCC2)c1 1790754406 QZGODTHXLCDRAW-MRXNPFEDSA-N 475.495 5.359 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)C4(C(F)(F)F)CCC4)CCC3)cc2)c1 1790762633 MBUVVCFUSVRAJM-UHFFFAOYSA-N 459.443 5.178 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4)CCC3)cc2)c(Cl)c1 1790764166 NFVSUSKZMWVUJA-UHFFFAOYSA-N 459.933 5.038 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)cc2)CCC1 1790826224 JTRMXUISFFEWOH-HXUWFJFHSA-N 490.551 5.055 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H](C)CCCN3C(=O)OCc3ccccc3)CCC2)cc1 1791587888 RZZVSQNYIUQDGX-LVXARBLLSA-N 489.616 5.134 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C)n3)CCC2)cc1)c1ccc(O)cc1 1791646286 JNJKUPZQEUEMDW-XMMPIXPASA-N 495.623 5.360 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)C[C@@H](C)CC)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682072 LNZSFTVROLGDSA-AVRDEDQJSA-N 469.626 5.122 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CC(F)(F)C4)CCC3)cc2)cc1C#N 1792169345 FOYBJKBEOOPMBG-UHFFFAOYSA-N 467.516 5.138 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccc(C(F)(F)F)cc4)cc2)C3)C1 1792504766 KAUJDTDXEXEWGS-KOUNCHBCSA-N 484.518 5.716 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1798331231 BNXUKYANESTFMM-KGSLCBSSSA-N 478.633 5.660 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccc(-c4ccccc4)cc13)C2 1798334124 MJFGMEKWYQAVPO-KIHHCIJBSA-N 468.601 5.250 30 20 JKED Cc1ccc(S/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)cc1 1798391133 LSBISDZDCJPULI-XITVQYQTSA-N 459.615 5.180 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)c1 1801459326 KYVBZDIQANZFOR-JVYGSCRNSA-N 497.561 5.474 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1802495065 IKAAGPFWNJQJFC-UGKGYDQZSA-N 473.539 5.412 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1802499389 HCKAFIKDMOHMRK-HWBMXIPRSA-N 480.052 5.463 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1802502378 IGGJGYAPJAQXDQ-UUBHKVLXSA-N 484.644 5.583 30 20 JKED CCc1c(Br)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1 1803685467 WCEGGZNCXQZRSE-DVWBAYGPSA-N 494.433 5.204 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1804165978 GBZVSKPJNANDQS-YWEHKCAJSA-N 485.628 5.312 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)[C@@](C)(OC)c3cccc4ccccc34)C2)CC1 1804801388 LVEWKLJNPQDAKH-LJAQVGFWSA-N 474.645 5.126 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1)c1ccccc1 1805623060 GHCNDAFMJSAOHG-DEOSSOPVSA-N 478.036 5.496 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1 1805937215 APZUVISETAKNLL-FQEVSTJZSA-N 464.572 5.472 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1810172210 KWGXZXIDRPLNLH-IMSXRSKXSA-N 477.605 5.523 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1810173985 KOVPPDXUGGBPLK-LLGBQNBKSA-N 491.607 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1810181379 HTNZMNJQTDEGPO-HQCZVFHSSA-N 489.019 5.371 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2C)[C@@H]1c1cccnc1)c1ccccc1 1810441218 ORIBXJCPOCHTDZ-MAARLIENSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccnc3s2)[C@H]1c1cccnc1 1810500292 NYQLUMNOLFURSG-IRLDBZIGSA-N 462.619 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811853612 INTSJPUQTSSZPD-JTHBVZDNSA-N 471.523 5.188 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2cccc3ccccc23)[C@H]1c1cccnc1 1812043046 FUKONKYOJJPQGC-QABMSTFYSA-N 491.591 5.923 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(O)c3cc2OC)[C@@H]1c1cccnc1 1812193836 VYFSMFILHIEDQP-MRJKTFCFSA-N 499.611 5.037 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1)C(F)(F)F 1812806918 IEAQYHRXGPPWLJ-PZJWPPBQSA-N 453.549 5.203 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1814258426 RZSPWPPRDKJFBQ-UUBHKVLXSA-N 484.644 5.583 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)[nH]n2)C1 1814397247 GJSAGKFFMSFFSJ-GOSISDBHSA-N 466.891 5.354 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3c(F)cccc3Cl)n[nH]2)c1 1814673120 YUUQZERAISETFI-QMHKHESXSA-N 493.970 5.378 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814739476 XBYRXVLRSZSOCW-NBGIEHNGSA-N 469.589 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)n[nH]1 1816865134 RRPCSXXPWNQGPJ-UTKZUKDTSA-N 491.419 5.556 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)[nH]n1 1819307243 QNKSGKUVBFUTBO-FPOVZHCZSA-N 462.550 5.239 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)c(Br)cc3Cl)n[nH]2)C1 1821083375 MRRJYBFAYJQHJO-SFHVURJKSA-N 495.780 5.237 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2OC)n[nH]1 1821792653 XTIISEKZNMTVQB-TZIWHRDSSA-N 471.001 5.075 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]n1 1822393442 ZYBFYJJNPMNIOC-DEOSSOPVSA-N 480.572 5.062 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4c(s3)CCC4)[nH]n2)c1 1823212743 YYCOFDCSZUDQAY-IERDGZPVSA-N 473.602 5.207 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216182 CZIAQOVGKACJBJ-SBUREZEXSA-N 459.525 5.104 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)CC1 1823668826 KYAJYEOCQXGFDV-HXUWFJFHSA-N 466.453 5.614 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1823885281 NECVTHDHEYRCPP-KRWDZBQOSA-N 487.925 5.281 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1823897206 RUDUMWMEJLHFRU-HSZRJFAPSA-N 467.972 5.206 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1)c1cccs1 1824032668 CGAQKQNZUOQCJO-HSVUMKRKSA-N 494.632 5.050 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)c1 1824053694 AOIXSOMZEKHTDY-ZCUZSRHZSA-N 461.650 5.247 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1824538634 NAXWKANRBHPANS-VQTJNVASSA-N 474.564 5.032 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1824957288 AFRLWZSXSWIROI-XMMPIXPASA-N 499.627 5.179 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1)c1cccs1 1827684664 NCKYHJOWXQLMJO-JHUUHBRDSA-N 476.642 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COCc2ccc(C)c(C)c2)CC1 1827708313 YNUCGJUSPHETCO-KAYWLYCHSA-N 466.666 5.208 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)oc2ccccc12 1828128380 SLPACMSQKMKDMC-VWLOTQADSA-N 469.585 5.354 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828160093 AMJFJWFMYXXBKX-XMMPIXPASA-N 471.592 5.672 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)cc1 1828458393 CTWRFKPHMRXHFO-WELLZUMNSA-N 461.650 5.398 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828828443 KJTKHYZEMQSPPO-RSXGOPAZSA-N 462.634 5.207 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncoc3c2)CC1)c1ccccc1 1829033657 YWDVNQRNKYTRSY-VPUSJEBWSA-N 483.612 5.258 30 20 JKED CCOc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689421 DKRJHFJHPWFGAE-DEOSSOPVSA-N 480.008 5.157 30 20 JKED COc1cc(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689926 WCAFYQYBNKTJET-XMMPIXPASA-N 480.008 5.076 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765790 QCWDCORPLAESGU-VWLOTQADSA-N 481.040 5.157 30 20 JKED CC(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)on1 1829802518 LWKATHWYDZFPAJ-HSZRJFAPSA-N 471.718 5.082 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c(C(F)(F)F)o1 1829954763 CRLCFSDJDGIZKT-NRFANRHFSA-N 473.495 5.026 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1830015291 BQAUUUJBGIGMOU-DEOSSOPVSA-N 484.625 5.229 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1830153801 FWUZJKKSYWDEGU-HYBUGGRVSA-N 483.056 5.147 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1830632614 SOLHPMNLFXQIRB-VWLOTQADSA-N 489.019 5.434 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)c1 1830719213 VKIFUGQCCIJWMT-HHHXNRCGSA-N 496.586 5.306 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)CC1)c1ccccc1 1830821864 BDSMLGIPQYPBPL-RRPNLBNLSA-N 497.643 5.108 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831031676 JYJCMSIXMMKFNC-KKSFZXQISA-N 476.543 5.027 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(O)cc3Cl)CC2)c1 1831773046 FMMWBYVVXHPBKC-WHVGEVHXSA-N 492.019 5.172 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831844012 YIFGNEBSHDCPSB-OXJNMPFZSA-N 461.027 5.152 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c1Cl 1832603531 PKMZKMICQCDUKM-XMMPIXPASA-N 464.009 5.262 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711644 QBSJVBWPWVXSAC-WOJBJXKFSA-N 474.564 5.032 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)CC2)c(Cl)c1 1832956459 HHZFYAFIRYYPNW-HHHXNRCGSA-N 490.047 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(F)c3Cl)CC2)CC1 1838423890 MOVHUGAQCMNTMR-UHFFFAOYSA-N 465.009 5.084 30 20 JKED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)CCCCCCC(=O)OC(C)(C)C)C2)c1ccccc1 1844336819 NHELBQPYKFYQFW-VWLOTQADSA-N 494.676 5.069 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C 1847263602 DQNBIAJNWJPMQT-VXKWHMMOSA-N 469.626 5.150 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1847531968 PJYNZSTXNYVXRV-YGOYIFOWSA-N 481.637 5.107 30 20 JKED COc1cc(Cl)c(C)cc1-n1c(SCC(=O)Nc2sccc2C#N)nc2ccccc2c1=O 8885508 KLNQSRQIXRIMGV-UHFFFAOYSA-N 497.001 5.020 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10170971 INSPBMHIOWLABK-UHFFFAOYSA-O 498.584 6.288 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc3c(c2)CCCC3)c1 10174162 USDOANWPMGMXEF-UHFFFAOYSA-O 499.578 6.419 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 10831050 JMKJDKWOAVFNBR-UHFFFAOYSA-O 499.056 5.707 30 20 JKED C=CCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 10962335 UHDLUUYTXXUOSL-UHFFFAOYSA-N 461.446 5.161 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c(Cl)c1 11089482 HKQRZANIUPPZAJ-UHFFFAOYSA-O 486.060 6.886 30 20 JKED CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N 12817802 KFGGHGYRIWDUEA-UHFFFAOYSA-N 477.542 5.197 30 20 JKED CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3cccc(NC(C)=O)c3)c2)c1 16408053 NENZPIBMJKFDCU-QUMQEAAQSA-N 452.510 5.396 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1Cl 20412982 SHHBIYABSJRYCA-AWEZNQCLSA-N 477.417 5.416 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(CC)cc2)cc1 22728249 RYBRCGQJKUHPIC-UHFFFAOYSA-O 454.015 5.948 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(O)c2)cc1 22731739 ZCQLOIYMTLROIT-UHFFFAOYSA-O 477.484 5.028 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 24284266 MJLGPWCJVWMWHS-QMMMGPOBSA-N 468.715 6.360 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(NCc3ccc(F)cc3)s2)cc1 28122676 REQRJGWKFOQJNQ-INIZCTEOSA-N 455.584 5.025 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)c2)c1 31776586 CLGOGCYKMDUZJM-UHFFFAOYSA-N 452.514 5.134 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 39554892 IEXVJHRISJIZCA-UHFFFAOYSA-N 484.909 5.404 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 195709152 OPOKTYUKENXPBJ-UHFFFAOYSA-N 454.313 5.254 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccccc1F 215787445 PEDOMUPRLPWIHS-UHFFFAOYSA-N 476.577 5.183 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@H]2CC)nnc1-c1ccc(Cl)cc1 216153756 YOJQXQZTWNPXID-GOSISDBHSA-N 459.040 5.474 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2ccccc2COCc2ccccc2)CC1 480379651 UNWVWANPHIUMRN-UHFFFAOYSA-N 496.567 5.056 30 20 JKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481031939 COUOXBFYSMYKEO-MRXNPFEDSA-N 465.912 5.088 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 481848240 PLJFPTWXTXJFOY-UHFFFAOYSA-N 497.536 5.152 30 20 JKED CCOc1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2sccc2C#N)cc1 497980513 HWMIGKADDQFOGC-UHFFFAOYSA-N 499.614 5.094 30 20 JKED C=CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 500289850 BELVTYIREVQKHW-UHFFFAOYSA-N 497.001 6.257 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCc3csc(-c4ccc(OCC)cc4)n3)nnc12 500450874 JFLAERXMVWAWDK-UHFFFAOYSA-N 475.599 5.045 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 501140763 GFAFTECFGTZHJM-UHFFFAOYSA-N 479.540 5.261 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 501762095 HFOBZFAZINUMPI-UHFFFAOYSA-N 460.534 5.191 30 20 JKED Cc1cc(Sc2nnc(-c3ccccc3Br)o2)n2c(nc3ccccc32)c1C#N 502085207 RVVVPAJEHYHTES-UHFFFAOYSA-N 462.332 5.631 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccc(S(C)(=O)=O)cc3)c2C#N)C1 504388094 LMJUKVRDCDAQIF-HNNXBMFYSA-N 476.689 5.295 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1C(C)C 506846472 YPRBQSGARAKYAN-HXUWFJFHSA-N 452.543 5.184 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1 507768766 RNDSGHRVDTXBBX-SANMLTNESA-N 455.558 5.545 30 20 JKED C=CCN(C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc(-c2ccccc2)cs1 508898203 KZKLZMJZBZVWOQ-UHFFFAOYSA-N 451.636 5.584 30 20 JKED CCN(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)[C@H](C)c1ccc(C#N)cc1 509575710 QJDTZCWCWBUIBG-LJQANCHMSA-N 495.583 5.545 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511777424 MXRKYMYIVHMJQL-PIKZIKFNSA-N 481.596 5.270 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12 513006946 GQSXPTNUACRLOM-UHFFFAOYSA-N 481.596 6.095 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1Cl 514544301 NCXFCFYUGDVLIE-QHCPKHFHSA-N 494.016 5.422 30 20 JKED CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515960556 VLZYQCOEBBMJGD-UHFFFAOYSA-N 460.342 5.316 30 20 JKED C=CCn1c(SCc2nnc(C3CC3)o2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 516258013 BRKUEYUMOGPUPB-MRXNPFEDSA-N 455.653 5.896 30 20 JKED CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OCC 516748336 DSKGSVPPXNCHGL-IBGZPJMESA-N 487.556 5.272 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1 516841483 QBVXHUGCXLVHQS-QHCPKHFHSA-N 486.597 5.403 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OCc3ccncc3)cc2)nnc1-c1ccc(Cl)cc1 517162942 HJYJWYJWJXZOLI-UHFFFAOYSA-N 492.004 5.489 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)cc1 519030320 KJVZXBXUDHFLQI-UHFFFAOYSA-N 495.988 5.043 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1 519196402 ARVCTPTWMKQIAG-FQEVSTJZSA-N 456.546 5.270 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)nc(O)c2c1C 519504221 FHAOJQBDIXDPPA-MRXNPFEDSA-N 490.610 5.938 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)n[nH]2)c(OC)c1 519980455 GCRUKEFAZBICTN-UHFFFAOYSA-N 494.621 5.015 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2Br)no1 520077249 HJGWNNCIVRMUSS-GOSISDBHSA-N 494.370 5.938 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3n[nH]cc3cc2C)nnc1-c1ccc(Cl)cc1Cl 521518782 MHPHPFHVLMDERI-UHFFFAOYSA-N 473.389 5.353 30 20 JKED CC(C)Oc1ccc(CNC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)c(C(F)(F)F)c1 523287534 MSTMSPUZXWTOPX-UHFFFAOYSA-N 490.379 5.161 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)cc2)c1 524127763 KCCQRBNIIBZBJM-UHFFFAOYSA-N 457.917 6.017 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 553122588 IGDOPONBBXDDEU-RBUKOAKNSA-N 491.588 5.472 30 20 JKED C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1-c1ccc(Br)cc1 588350595 JOCOZOVXWYMDMA-UHFFFAOYSA-N 473.421 6.211 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)cc1 589944808 VULUXIUIADEMBJ-INIZCTEOSA-N 495.674 5.762 30 20 JKED C[C@H](c1nnc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccccc1)N1CCCCC1 602216112 AAEFCIQQMCTQLD-GOSISDBHSA-N 495.052 5.460 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 603528383 FEIXVAPLEAGYHB-UHFFFAOYSA-N 495.526 5.326 30 20 JKED Cc1c(NC(=O)c2ccccc2I)cccc1N[C@H](C#N)Cc1ccccc1 603955360 USHNOQZATKZAEF-SFHVURJKSA-N 481.337 5.399 30 20 JKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1OC 604475698 VBGUSZDKCQIRKU-AREMUKBSSA-N 498.627 5.090 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 604562212 PIAACYCSDZBQPU-CUNXSJBXSA-N 471.557 5.991 30 20 JKED CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)c1C#N 609031724 UJWSEDDEORBKFO-WVFSVQOHSA-N 457.546 5.181 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(I)ccc1Br 609048829 CPKKBNXKSYATML-UHFFFAOYSA-N 498.162 5.368 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1cccc(Br)c1 609068783 WTNXXYQHQOKGMG-UHFFFAOYSA-N 457.349 5.009 30 20 JKED COc1ccc(Br)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609105754 CYULVDQKLBEIKV-UHFFFAOYSA-N 455.283 5.300 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCSCC(=O)Nc1ccc(Br)cc1 609382937 XOHBBMCGCGBHPS-OAHLLOKOSA-N 492.464 5.401 30 20 JKED N#Cc1c(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)sc2c1CCCCCC2 609407868 HMKCESIPOLFIPA-UHFFFAOYSA-N 464.612 5.505 30 20 JKED O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622150819 AQDUKKQPDBAYPG-ZOWXZIJZSA-N 460.365 5.438 30 20 JKED C=CCn1c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1[C@@H]1COc2ccccc2O1 645079259 MVBWJBGCOBPFBS-FAMPUKIQSA-N 465.619 5.243 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S/C1=N\CCc1ccccn1 726111739 UHVHFLPDLYCUJW-ZMRQUTOFSA-N 497.835 5.099 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 726321963 QKMAIFZOFAQEAH-KSFYIVLOSA-N 452.514 5.673 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 726397243 HHLYJJBSZMCCOR-IERDGZPVSA-N 474.026 5.342 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC[C@H](C)OC)c1 726402067 VTNAUXGISXSSDZ-MHECFPHRSA-N 491.613 5.234 30 20 JKED CC(C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C#N)c(Cl)c1 726407683 ABMHMOVSIFWQMI-HXUWFJFHSA-N 472.973 5.357 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)cc1F 726409757 CREOJLGZKQPQKV-HXUWFJFHSA-N 487.553 5.195 30 20 JKED Cc1ccc(Cn2nc(C)c(C=NNc3ccc(S(=O)(=O)Nc4ccccc4)cc3)c2C)cc1 727058451 OHQPWVRJIUMACL-UHFFFAOYSA-N 473.602 5.103 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)c2cccc(C)c2)ccc1Cl 727090960 OPJPKIXBRDBTIB-UHFFFAOYSA-N 489.424 5.960 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 727222414 CWKQOGOCUBBWIH-QHCPKHFHSA-N 476.939 5.124 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cs1 727266655 CBLAYSNODXRCJB-RMKNXTFCSA-N 484.465 5.296 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2ccccc2c1 728426171 RLOWWQUCOQWALM-XMMPIXPASA-N 486.597 5.098 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1nc(-c2ccc(Cl)cc2)cs1 728764945 GFLNIRUMJSEBPJ-MRXNPFEDSA-N 498.058 6.087 30 20 JKED CS(=O)(=O)Nc1ccc(-c2csc(=Nc3ccc(C#N)c(Cl)c3)n2CCCCC#N)cc1 728777072 YBPWHYXOIKTLQM-UHFFFAOYSA-N 486.022 5.039 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729177143 SJMKKHLLPTXVTH-KAYWLYCHSA-N 451.570 5.280 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ncccc1C 729634614 OZXAIBFQEKHWEY-XMMPIXPASA-N 488.613 5.176 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc(-c3ccccc3)nc21 729888655 MIIXVTMNSWFHOQ-SFHVURJKSA-N 475.911 5.433 30 20 JKED O=C1/C(=C\c2cnc(N3CCOCC3)s2)CCc2nc(-c3ccccc3Br)sc21 730435554 CKLPRMGRKJVDSS-QBFSEMIESA-N 488.432 5.078 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccccn3)C2=O)cc1 730537443 RHFVNCOFYMQWIN-HSZRJFAPSA-N 492.576 5.088 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1C 730942316 MJNPGIJOSOYWRO-MBSDFSHPSA-N 476.577 5.559 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731066474 ODIRDTLLKCWDAY-HNNXBMFYSA-N 473.620 5.231 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](c1ccc(Br)cc1)C(F)(F)F 731147650 SNLNEHWIXJZOMG-IBGZPJMESA-N 472.257 5.335 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304066 HESWYMSACLEUKT-VWLOTQADSA-N 496.592 5.409 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731305489 DJASMCZNTYMJEY-BTYIYWSLSA-N 483.590 5.184 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cn(CCC#N)c3ccccc23)c1 744766755 SHTOOUMYHSMIOA-UHFFFAOYSA-N 458.591 5.328 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S 745162800 YJCHVUSUGOAFEM-UHFFFAOYSA-N 472.574 5.078 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CCc1nccs1 747601049 CTONHADGWLEDQZ-JOCHJYFZSA-N 492.670 5.525 30 20 JKED COc1ccc(-c2nn(CN(CC#N)C3CC3)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 747789253 KJFCIGAHDZBUQT-UHFFFAOYSA-N 459.497 5.043 30 20 JKED O=C(/C=C/c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 748584784 VPUMNNYDIMNDRL-QDEBKDIKSA-N 464.861 5.893 30 20 JKED Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)n(CCC#N)n1 748638116 DWXORFOYNILAFZ-UHFFFAOYSA-N 460.335 5.335 30 20 JKED COc1ccc(-c2nc(C=Nn3c(S)nnc3COc3cc(C)ccc3C(C)C)cs2)cc1 767230388 XKSFDUNYTIPDHG-UHFFFAOYSA-N 479.631 5.592 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)ccc1Cl 822266945 QADCMJBSVMEIAD-KRWDZBQOSA-N 485.009 5.141 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1ccccn1 838519711 OBWVQMZXCJNHHX-OYHNWAKOSA-N 496.539 5.090 30 20 JKED COC1CCN(c2ccc(NC(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)cc2C(F)(F)F)CC1 857446677 HUFNXHWRGFLJFL-IBGZPJMESA-N 478.408 5.989 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCCC2)c1 913118507 VNIDDOAWSAAJPL-JOCHJYFZSA-N 499.036 5.510 30 20 JKED Cc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5c(C)cc(Br)cc54)c23)cc1 915048207 AQINXLWAPNOVGK-UHFFFAOYSA-N 478.375 5.506 30 20 JKED N#C[C@@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nnc2n1CCCCC2 915101189 RBIBEBFYMDQEPY-REWPJTCUSA-N 450.995 5.357 30 20 JKED Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCCC2)c1 915179166 ATHCDMBSGSQGBD-RUZDIDTESA-N 472.610 5.684 30 20 JKED N#CCCn1cc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)c(-c2ccccc2)n1 916140053 VEBSHHPXIKLYTR-UHFFFAOYSA-N 497.505 5.403 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)c1 916209576 NWVFDIGNONFHRY-HXUWFJFHSA-N 469.950 5.102 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 916211243 MTSUMPFJTYAXHR-OAQYLSRUSA-N 474.026 5.344 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C[C@H]2CCCO2)cc1 916213133 ZOLIWNNRIUETHS-YLJYHZDGSA-N 491.535 5.153 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 916905075 LXRRRHWUBCFRAX-KVACCUTFSA-N 493.563 5.078 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 916907968 KEWOXOMMUXZIPM-QGZVFWFLSA-N 491.429 5.040 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916908355 PNAFVNGFOCKQQE-CSHXORCISA-N 482.424 6.210 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 916924156 XBUSTWDLFIBGQO-LJQANCHMSA-N 492.988 5.468 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 916954134 FVASYQABUCKCAH-OSPHWJPCSA-N 471.557 5.090 30 20 JKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2-c2ccccc2OCC)cc1OCC 917030358 VGCYFOQRVVCXBX-UHFFFAOYSA-N 460.987 5.356 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(CCC#N)CC(C)C)c1 917364338 WMJVEVZHSALICN-UHFFFAOYSA-N 493.551 5.099 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=S)N[C@@H]1c1cccc(C#N)c1 917378523 LEUYAJOWJRVSAP-AREMUKBSSA-N 482.609 5.478 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)cc1 917663420 MYOPPLOAQZRZME-NRFANRHFSA-N 482.606 5.114 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccco1 917703321 XQUAQLMABZFXQT-XMMPIXPASA-N 480.549 5.465 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)c1 917703518 NJUYWLSRLSNZBO-HSZRJFAPSA-N 454.555 5.027 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cccs3)C2=O)cc1 917705148 VCRKLVQFGXATCN-JOCHJYFZSA-N 490.610 5.179 30 20 JKED Cn1c2ccccc2c2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)sc21 917806928 ZNEVFZPJYPKBCS-UHFFFAOYSA-N 451.551 6.290 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2cccc(C(=O)Nc3ccccc3)c2)CC1 919088033 DZYFVJJBLBORDM-UHFFFAOYSA-N 496.523 5.018 30 20 JKED N#CCOc1ccccc1C(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1 919980422 XTTPMTKEEZIHFN-UHFFFAOYSA-N 491.853 5.135 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 920142679 VQYGITJEPDVHEJ-PXPSOEEZSA-N 491.416 6.609 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C\c3ccc(F)cc3)c3cccs3)n2)cc1 920143461 PXOGUTWDWXTKNV-DMMSUNFISA-N 460.555 6.436 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CCO2)C1 1778881499 DTPQQROFZCMIKN-QXNWPYRLSA-N 495.623 5.114 30 20 JKED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4ccc(CCCC)cc4)cc3)C2)C1 1781504523 UYJGMDROALHWTB-LJAQVGFWSA-N 492.685 5.059 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(C#N)cc5)cc4)CCC3)[nH]c2c1 1785882026 WYRUOIBTHVSAHI-UHFFFAOYSA-N 478.552 5.039 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(OC)c4)CCC3)cc2)cc1 1786037383 QMOMQTXWVJOSIF-IBGZPJMESA-N 483.568 5.127 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3occc3NC(=O)OC(C)(C)C)CCC2)cc1 1786393976 MJDAKBCLLXXMOF-HXUWFJFHSA-N 487.622 5.329 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cc4cccc(F)c4)cc3)CCC2)cc1 1787890409 GILDMCQWLLQZQX-UHFFFAOYSA-N 455.533 5.468 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)cc2)CCC1 1789218877 FURNFQMBXOLLQN-UHFFFAOYSA-N 489.526 5.289 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccccc5o4)CCC3)cc2)c1 1790072931 CSAYKPFNPUNOQS-UHFFFAOYSA-N 465.509 5.375 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccc(OC)cc4F)CCC3)cc2)c1 1790075791 MHDLUNWDHVXVQJ-VZUCSPMQSA-N 499.542 5.176 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)CCC1 1790089331 GWULLADHVFVXGK-QHCPKHFHSA-N 475.589 5.170 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5cnccc45)CCC3)cc2)ccc1F 1790520116 GALJCVLXCSZYLK-UHFFFAOYSA-N 478.527 5.236 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)c(C)n1 1790766761 LLOKEIMHDNHVTQ-UHFFFAOYSA-N 470.548 5.090 30 20 JKED COC(=O)c1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CCC5)CCC4)cc3)ccc2c1 1790985833 BXCZLTWWDVDRPS-UHFFFAOYSA-N 481.552 5.068 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cc[nH]n4)cc3)CCC2)cc1 1791300225 KERSBTJQNWQTLZ-UHFFFAOYSA-N 450.489 5.036 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3C(F)(F)F)CCC2)cc1 1791300810 ZMEAKZNNUCRIKF-UHFFFAOYSA-N 453.411 5.060 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3(C)CCCCC3)cc2)CCC1 1791534357 JRCHQFADFOQKGP-JOCHJYFZSA-N 481.637 5.008 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CCC2)cc1 1791587479 WGNWMSFGZLKUGJ-UHFFFAOYSA-N 468.479 5.215 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)nc1 1792123178 LTWLQTQQOCFOSS-NRFANRHFSA-N 466.585 5.398 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)cc4F)CCC3)cc2)c1 1792127194 SOHMLQFGUCGYBI-KRWDZBQOSA-N 457.505 5.220 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc(OC)c1C 1792164558 KNBJZLKLEVVKGT-UHFFFAOYSA-N 483.568 5.140 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ncccc45)cc3)CCC2)cc1 1792291517 MSVZVNMSIWBRMA-UHFFFAOYSA-N 477.568 5.009 30 20 JKED Cc1cccc(C)c1SCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C2 1798621018 UEXWRMFPQIGMGM-NUNAXRQHSA-N 470.755 5.085 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1802494656 FPZPYONYSAMSRF-HYBUGGRVSA-N 480.008 5.793 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2cccs2)[C@H]1c1cccnc1 1802499446 SEZMTNVLFXYODH-CBQOVEMMSA-N 471.692 5.322 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1803078877 DZHXQCNFUJBHGR-VJGNERBWSA-N 459.634 5.296 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)CC2)C1 1805459547 NSVQJHJNQMWSPV-DNQXCXABSA-N 499.493 5.552 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4C[C@H]4c4ccc(F)c(F)c4)C3)CC2)c(Cl)c1 1805612447 BIVHTKHPNZPGKI-SFTDATJTSA-N 497.973 5.138 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCC2)[C@@H]1c1cccnc1)c1ccccc1 1808494066 XGHGBRDJKNJSMA-BYXYOVQASA-N 469.629 5.031 30 20 JKED Cc1cc2cccc(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)c2[nH]1 1809269376 BIBDZLCDFPUSTE-QFQXNSOFSA-N 497.986 5.030 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1813863297 IJRCDYLKJWJYRN-RNHNHXFSSA-N 487.003 5.304 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)cc2c1 1813866189 MUVSFXMFHMVDSQ-VGKYISKLSA-N 491.595 5.132 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Br)c4ccccc34)[nH]n2)C1 1814395452 VGCRAPMQVRCMEX-QFIPXVFZSA-N 493.405 5.598 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@](C)(OC)c2cccc3ccccc23)n[nH]1 1814408708 XEDZCPKRYOGYSU-MWMGYGRKSA-N 474.605 5.329 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)n[nH]1 1818598822 RVWHYVCIOWTMIZ-NRFANRHFSA-N 469.536 5.468 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)[nH]n1 1819309211 OUOPSHDGIAOZKT-PXDATVDWSA-N 475.637 5.474 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)n[nH]1 1820668790 GTYVZTONNJFDOF-FTJBHMTQSA-N 489.664 5.225 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[nH]n2)ccc1F 1820914765 FIFCXGFKDANYMZ-XSARVHFWSA-N 491.611 5.262 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157521 KXPZJIDKUKMXIV-KOSHJBKYSA-N 459.594 5.335 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274662 KCSLEKKDXGSXLL-ZHRRBRCNSA-N 494.020 5.421 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)cc(C(F)(F)F)c1 1821309081 VSOXWKDGENCSDF-NRFANRHFSA-N 487.526 5.576 30 20 JKED CCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310565 FAAIVCUPECICFT-SFHVURJKSA-N 461.488 5.042 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1821987022 ZVCNWEIBXFWZSO-KRWDZBQOSA-N 487.473 5.328 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)c1 1823211388 DUHLNFSUULPJJK-MHECFPHRSA-N 490.007 5.629 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823216762 NRSHJXSEFORUGB-NLFFAJNJSA-N 469.589 5.284 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C(C)C)CCC3)[nH]n2)cc1C#N 1823294352 MGLAOQBGOQDVNT-QFIPXVFZSA-N 477.609 5.201 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccc(Cl)c2)CC1 1823980069 MUHULKNZBGINJQ-QHCPKHFHSA-N 461.046 5.331 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1824502016 QMEUTLAVYKJJSA-AREMUKBSSA-N 498.067 5.413 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 1824955556 KCXVESHCIPEFQX-QQSVUBKYSA-N 456.696 5.355 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1824959005 NHUUWCPHSKXQRH-RUZDIDTESA-N 479.690 5.058 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCCCC2)CC1)NC(=O)OC(C)(C)C 1826283963 IBXAKHXXVZTVDX-DNQXCXABSA-N 489.701 5.046 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)COCc2ccccc2)CC1)c1ccccc1 1826696467 DUKCQFDBMLHGDO-VMPREFPWSA-N 486.656 5.020 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)CC1 1827710029 MSKCOKHLXLXZHA-VWLOTQADSA-N 476.665 5.406 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828467450 MFPQURNZUYXJPF-GOSISDBHSA-N 494.451 5.420 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 1828820893 HAUOVAXVHNYCMG-HVWQDESWSA-N 464.650 5.187 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c(F)c1 1829689635 KHXCQQQKSMKVJF-QHCPKHFHSA-N 467.972 5.206 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578288 LMOYDKGSYMYKSG-IIBYNOLFSA-N 486.962 5.183 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1)C(F)(F)F 1830606752 VAORGEIPDQRVJD-LJQANCHMSA-N 472.935 5.091 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1830709725 ITMLKVMIBBPSSZ-FQEVSTJZSA-N 494.583 5.020 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3F)CC2)c(Cl)c1 1830722533 MDLOWYJYZSLWIA-QFIPXVFZSA-N 471.935 5.037 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(Cl)cc3Cl)CC2)C1 1831306680 HWFJYAFABCBMHP-QHCPKHFHSA-N 463.449 5.512 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1831377746 LDORDNFSZHDAQC-NTKDMRAZSA-N 456.602 5.060 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1831446824 IQBRSZKRIRUIJH-QFIPXVFZSA-N 498.655 5.500 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)CCCCC)CC1 1831467880 CVEXQFQORSUNSZ-QPTUXGOLSA-N 491.717 5.292 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)CC2)c1 1831509236 KQKJXOQDCCNASI-AJTFRIOCSA-N 457.618 5.294 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)CC1 1831590552 WUAMZTCIQIFAEO-DASKCANNSA-N 450.623 5.097 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)c1 1831780223 PFDUAISHFOHXRE-VWLOTQADSA-N 493.051 5.285 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 1831855359 WDCLJUKIUZHLEH-XMMPIXPASA-N 499.493 5.294 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)c1Cl 1832561919 KOJUSDYHCQDEAR-IBGZPJMESA-N 450.410 5.085 30 20 JKED CCc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc(C)n1 1832631951 JRVAQJAFTDFYSO-DCFHFQCYSA-N 472.633 5.127 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832709874 CRVUNHXIJURSOY-QFIPXVFZSA-N 466.519 5.271 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CC2)CC1 1838656550 JGEOFMLUHUCEOR-HHHXNRCGSA-N 482.571 5.073 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cc(-c4ccccc4)nc4ccccc34)C2)c1 1843616864 KVZAECYJHGQTCM-UHFFFAOYSA-N 490.538 5.043 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)c1C 10168140 SCVAMLXFFLXVHM-UHFFFAOYSA-O 457.663 6.428 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1cccc([N+](=O)[O-])c1 10170974 LIRLQMXSJWADFJ-UHFFFAOYSA-O 486.529 5.431 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 15237032 QVYIBKWKXLSJKK-IBGZPJMESA-N 469.010 5.312 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc(Br)c2)cc1 15247696 AZYBDKBBFZCBLQ-UHFFFAOYSA-O 495.875 5.568 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(C(C)(C)C)cc2)c(Cl)c1 15248292 HMMCKWFIBKQFLK-UHFFFAOYSA-O 497.040 6.501 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccco3)n2CC(C)C)n(Cc2ccccc2)c1C 16664536 ZAENAWHEPKUFIF-UHFFFAOYSA-N 488.617 5.263 30 20 JKED CC(C)Cn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1F 21583247 RSCLKAWFLDFXSK-KRWDZBQOSA-N 469.561 5.307 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1 23608128 MVQBTFZSUGXNIT-QFIPXVFZSA-N 499.640 5.939 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 23976265 XHJXOKDTYVCBJU-UHFFFAOYSA-N 485.334 5.051 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 29752905 XDGTUKJIHDAKBS-HNNXBMFYSA-N 453.420 5.235 30 20 JKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 68722292 GQPDYJZDLFEYKR-CYBMUJFWSA-N 492.407 5.002 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 197475447 MQDORJPPQPGSNV-YDZHTSKRSA-N 477.586 5.016 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nc2ccc(C)cc2s1 302843029 BOAKEYMLRCGWHP-UHFFFAOYSA-N 486.022 5.345 30 20 JKED CN1CCN(Cc2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2)CC1 410377124 ZVRKWRPTWLISAY-AREMUKBSSA-N 488.035 5.065 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 481969985 WUUUYQXCWDEDCR-UHFFFAOYSA-N 478.346 5.132 30 20 JKED O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 482484704 GJCQLOVQEWNFPD-UHFFFAOYSA-N 498.305 5.498 30 20 JKED CC(C)n1ncc2c(C(=O)N(Cc3ccco3)c3ccccc3C#N)cc(-c3ccco3)nc21 501021268 VVZWDZYTQGTYMI-UHFFFAOYSA-N 451.486 5.584 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501737843 ZSWVVSRZPSRZLS-UHFFFAOYSA-N 464.978 5.135 30 20 JKED N#Cc1c(CCCNC(=O)Nc2c(F)cccc2Oc2ccccc2)nn(-c2ccccc2)c1N 504136617 QGXDWXRGKGRODK-UHFFFAOYSA-N 470.508 5.012 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1 508244119 VBZUAMYOAMHOAJ-UHFFFAOYSA-N 464.909 5.115 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)no1 508290897 TZPXMBYGBDPBKS-UHFFFAOYSA-N 466.541 6.411 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(O)c2c(-c3ccco3)csc2n1 512047893 VBNBLLVRRZOYMW-UHFFFAOYSA-N 461.572 5.318 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(COCc3ccco3)c2)cc1 513980699 YGHUUTOENFUPAR-UHFFFAOYSA-N 469.516 6.241 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc(-c2ccncc2)cs1 516332391 YWNNYIMPLGGGCM-NRFANRHFSA-N 472.595 5.718 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 518137415 GHBSSCUOEVXUMN-AWEZNQCLSA-N 482.959 5.861 30 20 JKED N#Cc1c(NC(=O)c2ccccc2Sc2ccc(Br)cn2)sc2c1CCCC2 518198177 NQIPIHMBDLTYFD-UHFFFAOYSA-N 470.417 6.060 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 519424102 SKCZWIWMFVTDEA-CQSZACIVSA-N 455.992 6.158 30 20 JKED C=CCN(C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 519514829 SVYDPXRFXHHENK-UONOGXRCSA-N 463.344 5.128 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520673307 QFTGWSONYUNUON-UHFFFAOYSA-N 454.313 5.254 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)sc2n1 521492591 WSNDQPCEVZADDM-UHFFFAOYSA-N 460.515 5.071 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 522052564 YTTDHGLAWQIQQA-NSHDSACASA-N 481.427 5.291 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccn(-c3ccccc3)n2)cc1Cl 523699504 CDSURQPKDNWGIM-DEOSSOPVSA-N 455.949 5.545 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 524295939 XXPJESTZJPNPHU-UHFFFAOYSA-N 485.350 5.589 30 20 JKED O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 586177293 GEQOGORVBXOEBY-JRUNUNTISA-N 462.356 5.770 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 589941004 XDYGMDLIZOXHNI-UHFFFAOYSA-N 471.492 5.466 30 20 JKED CCOc1cc(NC(=O)N(C)Cc2cccc(C#N)c2)c(OCC)cc1NC(=O)c1ccccc1 603650317 JUBRCCRFZWTKLN-UHFFFAOYSA-N 472.545 5.272 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 603739793 DHJWHCGEUKVQIT-GOSISDBHSA-N 481.478 5.323 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3I)cn2)cc1 603764551 LGGSFHRESBGRTO-UHFFFAOYSA-N 475.673 5.256 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 604085721 QBSIWHSYTXFAEE-UHFFFAOYSA-N 488.632 5.368 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604138731 GDIDJFWGKNLDJC-AREMUKBSSA-N 470.573 5.396 30 20 JKED Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)s1 604142481 OETCDDQZIBSEMH-YCRPNKLZSA-N 451.979 5.490 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1 604569078 LVKYUSYZXGRUEK-UHFFFAOYSA-N 469.545 5.137 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c1 608839172 RMHQOZNKFJWDAK-UHFFFAOYSA-N 457.917 6.248 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C(=O)NCc4ccccc4F)cc3)o2)cc1 609058297 YZBGHDWGGLNAAU-UHFFFAOYSA-N 469.472 5.052 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609061641 RGKMJRARIDLRSU-SANMLTNESA-N 483.568 5.088 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccsc3)cc2Cl)c1 609087302 GJGCUKVKJHXXIO-OAQYLSRUSA-N 465.962 5.154 30 20 JKED CCC(CC)CN(CCC#N)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 609189294 FRNOTNMJLRXVNY-UHFFFAOYSA-N 470.411 5.802 30 20 JKED Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)ccc2C)c1 609382986 YWWGXZXELCKGIF-SFHVURJKSA-N 479.627 5.608 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609403306 LNLFWBNPXFHBDK-JKSUJKDBSA-N 464.616 5.186 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CCOCC1 609436774 GMGICUUYEYPAJK-MRXNPFEDSA-N 474.424 5.671 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCC[C@@H](OCC(F)(F)F)C1 613005410 HTZZLAZWYZXEIT-GFCCVEGCSA-N 498.342 5.144 30 20 JKED Cn1ncc(C(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)c1C(F)(F)F 624110540 SIMKIVHKPDUGLD-UHFFFAOYSA-N 479.327 5.458 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCc3c(Cl)cccc32)cn1 726116740 JTYIDUVFBDIXJP-FCHUYYIVSA-N 494.020 5.204 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726402338 FNNXDNPWMYOVAF-GOSISDBHSA-N 491.787 5.112 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1Cc1ccsc1)c1cccs1 726415686 KEGVBGUXRZBBKE-BKJSLCDGSA-N 499.639 5.098 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(C)=O)C=C1)=C(/S)Nc1ccc(C#N)c(Cl)c1 726570983 PIDGTWNQLZXSFK-UHFFFAOYSA-O 477.997 5.155 30 20 JKED CCOc1cccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c1OC(F)F 726627916 VUHUNDNOUBLMSJ-LZYBPNLTSA-N 466.918 5.618 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1[N+](=O)[O-] 726731041 CVIUNAHJKWDMEZ-WIYYLYMNSA-N 494.960 5.161 30 20 JKED N#CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 727678942 RJASLLKYRYJQLY-UHFFFAOYSA-N 453.907 5.232 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 728423778 QEESRLKYRGXTLO-DVECYGJZSA-N 483.597 5.292 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N 728776186 MGFAFLHRXLTAPU-HXUWFJFHSA-N 469.010 5.611 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCCCC#N)c1 728780686 WSSRFDOWKGPYML-QHCPKHFHSA-N 476.602 5.106 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729144588 DTXZOCWHJJMZNL-QFIPXVFZSA-N 492.670 5.846 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cc(F)ccc2F)C1=O 729630961 IDJAFDPZIRQFRV-QFIPXVFZSA-N 499.514 5.273 30 20 JKED N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1 729890364 ZAOJDBWWYCANTR-QHCPKHFHSA-N 454.917 5.083 30 20 JKED COCCOc1ccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1 730464347 PVAJDLJURZNIAL-HAVVHWLPSA-N 463.961 5.887 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCc3ccccn3)C2=O)cc1 730533451 FVZOGJDUNBBJRP-QHCPKHFHSA-N 476.577 5.041 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)c(F)c1 730535265 LVNZTROXIUGWLS-SFHVURJKSA-N 498.407 5.438 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943824 LCJRZYJDYCXTGK-HTAPYJJXSA-N 462.550 5.251 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 730995258 PCEDJVKOTIZDMK-QFIPXVFZSA-N 496.510 6.418 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731061827 DXKFKCQHPDTSEK-AWEZNQCLSA-N 486.018 5.962 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccccc2SCc2cscn2)nc1C 731224799 GPEVSCYQTJSOJC-UHFFFAOYSA-N 486.673 5.186 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731307148 PRTFIDSRJITBNE-KSFYIVLOSA-N 481.549 5.106 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1F)c1cccs1 731311813 HVPIWLKEJXVVDV-DYLGUULKSA-N 483.590 5.183 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1 731311841 FPFAJDWFFLRORI-HSZRJFAPSA-N 499.608 5.149 30 20 JKED N#Cc1ccccc1COc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 731360668 MBWCRWHUNGHLMN-UHFFFAOYSA-N 481.518 5.282 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Br)c1 732785462 ZPSNFVIRGQBNDL-KRWDZBQOSA-N 482.350 5.098 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C\c2csc(N(C(C)=O)c3ccccc3)n2)S1 733779205 GMLZHIOSHCXKIB-HMMYKYKNSA-N 456.637 5.748 30 20 JKED Cc1cc(S[C@H](C)C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)n2c(nc3ccccc32)c1C#N 746085127 FCIAAUGORJNHGD-HUUCEWRRSA-N 489.582 5.564 30 20 JKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)[C@@H](C)Sc3cc(C)c(C#N)c4nc5ccccc5n34)o2)cc1 746085770 PROTXSSUBLORIU-QZTJIDSGSA-N 497.580 5.811 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 747406061 RPKCNDFHPUDREJ-UHFFFAOYSA-N 470.529 5.186 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cscn3)C2=O)c1 747602345 ZSGFDROXVBGOGS-FQEVSTJZSA-N 485.034 5.574 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 747804843 UOHAGLZBNKTMDA-OFVILXPXSA-N 482.625 5.375 30 20 JKED Cc1nn(-c2ccccc2)c(COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C#N 748468179 BHNLHKRPKOJKDS-RUZDIDTESA-N 498.970 5.310 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 749046941 CGVJCAHWWMQDRE-KXBFYZLASA-N 461.953 5.273 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)c1 749327883 OGLUKQGKBQAKFK-UHFFFAOYSA-N 452.518 5.856 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 751140935 DILLQRBTGFSIRR-UHFFFAOYSA-N 472.932 5.818 30 20 JKED Cc1cccc(-c2nn(Cc3ccccc3)cc2C=Nn2cnc3ccc(Br)cc3c2=O)c1 767307923 HQVNWLXXPWYWIK-UHFFFAOYSA-N 498.384 5.261 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCc2cccs2)C1=O 837299765 MJPJMAAEZJXNML-JOCHJYFZSA-N 479.627 5.268 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 893729853 IPADPUBMGVJADB-YEDKEXPWSA-N 468.022 5.163 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)Cc1ccco1 914690179 MCICLKDELKHLJW-KSFYIVLOSA-N 481.549 5.019 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3cccc(Cl)c3)s2)c(OC)c1 914693849 QWHVLMVLHBVLQG-UHFFFAOYSA-N 456.980 5.515 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)cc1 914772753 NFHUHNPFWJHPBW-XMMPIXPASA-N 489.597 5.002 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101661 JZMBRCGQGIVOAQ-IFMALSPDSA-N 491.016 5.505 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)N1CCCC1 915352850 OAYQZKSHBQQYMC-IZZNHLLZSA-N 454.574 5.309 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 916213898 ISBXAHRKEIQWQV-SFHVURJKSA-N 484.380 5.129 30 20 JKED N#C[C@H](C(=O)CCSc1nc2ccccc2s1)c1nc(O)c2c3c(sc2n1)CCCC3 916847669 SUCYIQWFPJGGHD-CYBMUJFWSA-N 466.613 5.244 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(SC(F)F)cc1 916885778 BLALFKHEUPESBP-HXUWFJFHSA-N 452.482 5.465 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 916889486 HMKYDTITFLKWHN-ISKFKSNPSA-N 464.974 5.519 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1OC 916934905 JNBUAOXCIMHSFA-XSFOEPMVSA-N 466.946 5.446 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(COc2cccc(Br)c2)o1 916940747 ZVVWAKVVHGNOKS-INIZCTEOSA-N 491.700 5.375 30 20 JKED Cc1cc(SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)cc1Br 917041479 SYLPVTDMYCVISW-ZDUSSCGKSA-N 464.335 5.779 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cs1 917644512 GDQLIPWBHWAQTJ-GRSHGNNSSA-N 480.571 5.244 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H]1CCN2CCC[C@@H]2C1 917697679 ILVOUCPMJFPVEK-PQNGQFLHSA-N 496.721 5.160 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917703200 ZKSGKMXZEREMEJ-VWLOTQADSA-N 487.625 5.177 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 918312616 RPIXGNFJMZDHRD-CLJLJLNGSA-N 453.542 5.043 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(OCc2ccccn2)c1 918425970 KVWQWTDCPKDNTG-PIKZIKFNSA-N 490.563 5.132 30 20 JKED CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 919904593 OUUPTDISIILAEI-VWLOTQADSA-N 491.433 5.700 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cc(C)on2)c1 920354917 ILOZZCQGFYIZEL-NRFANRHFSA-N 484.528 5.039 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)cc1 920358058 XSIDCJUPBAYMKQ-HSZRJFAPSA-N 492.601 5.159 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cs1 920374205 ZRQZOBJNIVRJIQ-INIZCTEOSA-N 474.552 6.655 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3cnn(-c4ccc(F)cc4)c3C)cc2OC)o1 920992006 XOEGFVJLAWHMLX-WCIBSUBMSA-N 490.487 5.183 30 20 JKED N#C[C@H](C(=O)COc1ccc(-c2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 1515041609 BCWVCGDJDOTHEA-HXUWFJFHSA-N 455.539 5.198 30 20 JKED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccc(CCCC)cc3)cc2)C1 1780859711 VWZVVBUSCNLHLO-POURPWNDSA-N 474.645 5.400 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1786373503 GRINJARBVNACRY-QGZVFWFLSA-N 463.965 5.227 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCCCNC(=O)OC(C)(C)C)cc2)CCC1 1786561524 IWOLJIBUOQOQBG-UHFFFAOYSA-N 483.653 5.584 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ncn4cc(NC(=O)OC(C)(C)C)ccc34)cc2)CCC1 1788313734 ARNAQRHWEIGPRC-UHFFFAOYSA-N 489.576 5.005 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc5ccc(Cl)cc5nn4)cc3)CCC2)c1 1788494648 KKXCJNZOILZXLC-UHFFFAOYSA-N 499.933 5.355 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)CCC1 1788834989 OHUGKAYDQYIIGN-UHFFFAOYSA-N 489.597 5.067 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)nc2ccccn12 1789508175 UCJIDFKGYPASMM-UHFFFAOYSA-N 486.692 5.442 30 20 JKED Cc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)/C=N/N5CCCCC5)cc4)CCC3)c[nH]2)cc1 1789513687 LTXYCPJWLOVMBQ-AJBULDERSA-N 483.616 5.210 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)cc3F)CCC2)cc1 1790567146 HZUSNMWATQOYNN-AWEZNQCLSA-N 463.912 5.167 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)cc1 1790705273 PNRHBUAAJDYAHI-UHFFFAOYSA-N 451.517 5.326 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4csc5c4CCCO5)CCC3)cc2)cc1 1790706103 CTNVEIUEWHVPHE-UHFFFAOYSA-N 471.582 5.201 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1791192789 JIFUIRAPBWSPDD-MRXNPFEDSA-N 493.501 5.322 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(OC)c3)CCC2)cc1 1791583286 XRTKFCUALTYARW-UHFFFAOYSA-N 467.569 5.308 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)c1 1792122306 JFIFVKNKDBTXQA-QGZVFWFLSA-N 492.501 5.789 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4Cl)CCC3)cc2)c1 1792123473 CUZHSZINCKGEPX-QGZVFWFLSA-N 497.986 5.856 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)CCC1 1792173364 WMEFMOHBTWHXHM-OAHLLOKOSA-N 479.474 5.393 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Br)c4ccccc24)C3)cc1 1799665833 AHHKRCJSTGYEDW-ACDBMABISA-N 488.385 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1802491974 JDDXACQKGMACDN-HYBUGGRVSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2cc(F)ccc2Cl)[C@H]1c1cccnc1 1804059375 MWHMCZAUEFSAFF-NTKDMRAZSA-N 472.004 5.115 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1 1804813999 UACMSTCECGKUAD-ICFXLVBESA-N 461.631 5.323 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3cnccc3c2)[C@H]1c1cccnc1 1809261952 DJKGMQYGUCBITG-XTEPFMGCSA-N 498.703 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1809492521 ZMPCXZIHOSDCCT-PYHNJFEDSA-N 469.585 5.315 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1810175910 PLOZFCDBDXSLQF-ZDXQCDESSA-N 451.998 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810272556 PPPIWURZLPGFRM-ZCYQVOJMSA-N 467.730 5.131 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(F)c3)C2)CC1 1810383013 GRDQWLKZCLAEQT-DEOSSOPVSA-N 475.608 5.501 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@@H]1c1cccnc1 1810499333 BQTUIEVAOTXDJW-HOYKHHGWSA-N 480.559 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810955842 NGJGMECXFJOTGV-PGRDOPGGSA-N 491.529 5.552 30 20 JKED Cc1ccc(-c2ccccc2C(=O)NC[C@H]2CCN(C(=O)C3(C#N)CCC3)[C@H]2c2cccnc2)cc1 1811539152 PTUYCZRNHARXCF-SQHAQQRYSA-N 478.596 5.071 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)c1Cl 1811799561 AKEIDORLQBJLJR-HYBUGGRVSA-N 493.394 5.202 30 20 JKED O=C(C#CC1CC1)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1812522493 NMIDXWFNBHEBKV-KCWPFWIISA-N 490.047 5.056 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1812671466 CEFXYFOMLDJEAS-KAYWLYCHSA-N 499.561 5.012 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(Cc3cccc(F)c3)c2)[C@H]1c1cccnc1 1814008761 JEPQJXVBGLHBPV-BHBYDHKZSA-N 497.614 5.325 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)[nH]n1 1814828155 AYUMOZGBZPYDOO-XMMPIXPASA-N 480.584 5.412 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c1 1817827409 ZXFLGIZGYQYSIE-LJQANCHMSA-N 459.531 5.017 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165339 OLLXTIACKKIOKL-SFHVURJKSA-N 488.922 5.840 30 20 JKED CC1=CC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)CC1 1818809684 GSHWKRJLNQWPIN-AUSIDOKSSA-N 475.593 5.121 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819077033 UYKHCEIFNDRQRL-OXJNMPFZSA-N 460.600 5.024 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc3ccccc3o2)[nH]n1)c1ccccc1 1819520489 JZDRYLHUSXEUJB-NFBKMPQASA-N 481.556 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)[nH]n1 1819555388 DNSDDRUUYTWMRL-GOSISDBHSA-N 463.504 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)[nH]n1 1819556112 UFSHASLNVJIWJC-LJQANCHMSA-N 471.533 5.064 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)[nH]n1 1821990290 LSMIQJDXGAMVAE-INIZCTEOSA-N 474.405 5.085 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1822581960 VOYRAJAIXMKBDP-VWLOTQADSA-N 493.611 5.829 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)[nH]n2)CCC1 1823380015 XOFOEMZWBYJPPA-OAQYLSRUSA-N 467.529 5.309 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1824137328 GGJIQNNHKMVPSP-VWLOTQADSA-N 468.041 5.823 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc5ccoc45)sc3C2)c1 1824259814 YJGWDUVBZPLVKD-DNVCBOLYSA-N 470.554 5.056 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1826397251 YPVGROFZYUPJEB-LJAQVGFWSA-N 479.624 5.116 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 1826419723 UZQSRCGPVNFNES-PWGHIRGTSA-N 454.655 5.027 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3oc4ccccc4c3C)CC2)c1 1828128532 VNHBMFKIYHGPNP-VWLOTQADSA-N 485.584 5.169 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CC1 1828351376 FPBZNACXLMANNF-YKSBVNFPSA-N 498.465 5.300 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1828906953 REYMNQFMJWJESB-HHHXNRCGSA-N 491.752 5.381 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnn2-c2ccccc2)CC1 1829066517 HENAOUCONIZMBY-XMMPIXPASA-N 462.638 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)CC1 1829369759 GFQYQIQEVBIKEP-FYYLOGMGSA-N 474.045 5.135 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1829491845 XHTDAVAQXQAKDU-GDLZYMKVSA-N 492.623 5.362 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829952695 WSCXEIDKDXJINL-VWLOTQADSA-N 482.584 5.069 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830486820 SXJDMIUUJKDRLJ-AVRWGWEMSA-N 481.999 5.653 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830511183 MZZZQZDVZUXFTH-FQRUVTKNSA-N 461.581 5.308 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)S)CC2)cc1 1830676437 SZJGHBFMWHJKOB-NLFFAJNJSA-N 450.648 5.214 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1830715188 QICBODOVXMGKGY-VWLOTQADSA-N 492.982 5.379 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 1830767473 DAVNSSQOEVVNHW-FQEVSTJZSA-N 456.011 5.129 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1)C(F)(F)F 1831453307 YPOAJEDOSUODHN-LJQANCHMSA-N 467.919 5.173 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1831860623 UVPFBWBKIWKBBH-QFIPXVFZSA-N 469.423 5.412 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1832030803 WKXUPFXBAQZXEI-HSZRJFAPSA-N 454.014 5.248 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1837685084 ZXUGIYQTURLTOF-YIXXDRMTSA-N 482.709 5.807 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccccc4o3)CC2)CC1 1838227259 ISQRPQNVEWUQEW-UHFFFAOYSA-N 452.595 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C)C1 1841296507 OPOMFRLBWVUYPZ-UHFFFAOYSA-N 491.717 5.438 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cccc(C)c1)C2 1844355865 LOHPPVWXVVWLJI-HSZRJFAPSA-N 497.680 5.147 30 20 JKED CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1cccc(Cl)c1 9821739 CHVUMDLMUXKQPE-UHFFFAOYSA-N 472.039 5.551 30 20 JKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c(Cl)c1 10178851 XBJBWAJLQKDYJG-UHFFFAOYSA-O 452.043 6.727 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179658 JWJMUWNCGUTZRV-UHFFFAOYSA-O 497.587 5.978 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)n1C 10760361 HADVRFWVLBFDMG-UHFFFAOYSA-O 471.021 5.652 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cccc3ccccc23)cc1 11125969 YKABHXFLPIWZGM-UHFFFAOYSA-O 452.024 6.456 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)n(C2CCCC2)c1C 12478038 CDMHDIASBWJECH-UHFFFAOYSA-N 484.556 5.140 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)N=C2SC[C@H](C#N)CCC#N)cc1 15237468 ALYZPBQRKZSKSB-RHLNUJDMSA-N 469.397 6.222 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1C 15247068 BJBCMQOSXAHBML-UHFFFAOYSA-O 483.604 6.541 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(CO)c1)c1ccc(Cl)cc1 15247869 PSEUZIIFDJGYGQ-UHFFFAOYSA-O 466.797 5.478 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccc(F)cc1 22100636 YBWBOXRXQRFCQB-GOSISDBHSA-N 465.598 5.380 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)OCC(=O)Nc3ccccc3SCC#N)cc12 22153948 XODBTQNJJFJKTD-UHFFFAOYSA-N 494.573 5.005 30 20 JKED C=CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1nc2c(s1)CCCC2 22423840 FFCDTUHWUKTFTM-UHFFFAOYSA-N 467.664 5.079 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCOc3ccccc32)nc2cc(-c3ccccc3)sc2c1=O 24171373 FRYJAGPBWVRNLP-IBGZPJMESA-N 489.622 5.043 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccccc1 24727715 NCLRAUIAGAMOLW-HNNXBMFYSA-N 465.579 5.513 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nnc1-c1ccc(F)cc1 24967862 PRDGTNGMXRPMQQ-UHFFFAOYSA-N 493.633 6.266 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)o2)cc1 26494621 KTOSQVGSYWEXHE-LJQANCHMSA-N 463.607 5.319 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2F)c2nccn2C)cc1OCC 30646087 SMUFVWBJDKSQCG-NRFANRHFSA-N 474.374 5.164 30 20 JKED Cc1c(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)oc2c1ccc1ccccc12 31796998 GMKOPCWPTDBAQE-UHFFFAOYSA-N 467.504 5.036 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cs1)c1ccc(F)cc1F 59270302 IYTIRYHQXJLONQ-VQHVLOKHSA-N 452.404 6.021 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 104789864 AUIMVYOQKMBNCE-UHFFFAOYSA-N 480.080 5.026 30 20 JKED Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccccc3-c3ccccc3C#N)C2)cc1 110550680 HBJFQVYMUYXJOR-OAQYLSRUSA-N 452.558 5.208 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nnc1-c1ccccc1F 195568974 OWYNBQAIBMEALR-UHFFFAOYSA-N 493.633 6.320 30 20 JKED C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(NC(=O)NC2CC2)cc1 195625384 BJDSPOLFKDZPSU-KRWDZBQOSA-N 456.571 5.484 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc(C)cc(C)c1 218660914 WWTUHNJOTOTAAC-QGZVFWFLSA-N 456.999 5.433 30 20 JKED Cc1nnc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)c(C#N)c1C 218940668 CGLZPCJTEOFQHD-UHFFFAOYSA-N 489.601 5.553 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@](C)(C#N)C(C)C)ccc1Cl 302222193 NTQFERKBAPIUBH-JOCHJYFZSA-N 480.417 5.043 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 303055769 ZBUMDJXPXIMDAH-SANMLTNESA-N 466.537 5.207 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 409599393 JVQVYNSAEACLLR-UHFFFAOYSA-N 495.839 5.577 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)cc2F)c1 409922005 IJHUABJADUEMRZ-UHFFFAOYSA-N 482.393 5.597 30 20 JKED N#Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)ccc1OCC(F)(F)F 487092507 JTHOQTOUGRMDAI-UHFFFAOYSA-N 499.832 5.206 30 20 JKED COc1cccc(CO[C@@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 487393790 XAOYJGJKSSXGKV-AWEZNQCLSA-N 475.492 5.177 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487452508 YEKDUNXECQNSOO-JOCHJYFZSA-N 498.530 5.099 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(I)cc2C)cc1C 497416922 MFAJRNDYXPWSDG-UHFFFAOYSA-N 484.341 5.246 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 501165008 UTVBNNYESRLPMW-UHFFFAOYSA-N 493.361 5.572 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc(OCc4cccc(Cl)c4)c3)CC2)c1 501741862 KAOUWELRRKEMTG-UHFFFAOYSA-N 473.960 5.282 30 20 JKED CC(C)(C)C[C@H](NC(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21)c1ccc(F)cc1 502859567 XKSAUBZCXLXVBQ-FQEVSTJZSA-N 484.369 5.068 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1Cl 503584587 HQEFKEHCTRKHQI-PXDATVDWSA-N 493.051 5.049 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 511308739 VMWMJDKNAQGHNV-XMMPIXPASA-N 460.603 5.352 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511367389 ZPYHOWGVMVVDJN-UHFFFAOYSA-N 453.542 6.304 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)n1 512970804 WCGSRRNHLXPNFK-LJQANCHMSA-N 450.585 5.719 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1ccc(OC)cc1 513256997 OTQOFRNSJAZGBM-UHFFFAOYSA-N 474.373 5.789 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4ccc(OC)c(OC)c4)nc3C)n2)cc1 516713721 HQAKVHFBNXFFMP-SFHVURJKSA-N 491.594 5.758 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 518652728 ABEQMSQXXVEAKB-CYBMUJFWSA-N 488.436 5.359 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 518676725 NUUHEIZBWIWDGJ-GCJKJVERSA-N 451.592 5.029 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 520581139 IUSOCAHSEJITCS-LJQANCHMSA-N 499.489 5.581 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520942711 LXCMQPYUEXIWFN-INIZCTEOSA-N 467.447 5.527 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4cccc(Cl)c4)o3)c2C#N)C1 589944705 DAQHKQZEEPOWOR-LBPRGKRZSA-N 458.996 5.569 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccccc1S[C@@H](C)CC#N 596141370 KTZLMOOQLLUOCR-AWEZNQCLSA-N 461.381 5.454 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1 603818527 PQZJWHAHEIETJC-UHFFFAOYSA-N 472.570 5.140 30 20 JKED CCCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604137931 CRHNAPZQSIQMJO-AREMUKBSSA-N 470.573 5.540 30 20 JKED COc1ccc(C)cc1CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 604365110 PZGDDCGUNTUZCR-UHFFFAOYSA-N 470.573 5.326 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 604496309 ZLKGDQUWAADNEB-QFIPXVFZSA-N 456.384 5.020 30 20 JKED COc1cc(CNCc2cccc(C#N)c2)ccc1OCCOc1cccc(Br)c1 608982260 JCOBKDBXQIMJLF-UHFFFAOYSA-N 467.363 5.077 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609073725 UUCNYDYPRYTROY-NFQMXDRXSA-N 467.569 5.075 30 20 JKED COc1cc(Br)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104585 LHUSSDHVFKTPPP-UHFFFAOYSA-N 455.283 5.300 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 613319227 ABPAPPKEZLZJMB-MRXNPFEDSA-N 490.869 6.297 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 613405108 UZWNFWRKAKTCQF-CYBMUJFWSA-N 480.393 6.010 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc2ccccc2n1 617896410 UPXKRRGLHNROQL-OAQYLSRUSA-N 470.326 5.740 30 20 JKED O=C(c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618826017 VUOBCTXRENCUEI-IRXDYDNUSA-N 485.403 5.881 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc2c(C(F)(F)F)cc(O)nc2o1 642175609 QTAVRRFAEQTLHE-BQBZGAKWSA-N 464.284 5.192 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1[C@H]1COc2ccccc2O1 645077568 JVFZTCBWPZYZHJ-SCLBCKFNSA-N 491.400 5.403 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(SC)c1 645079453 KZGJCOAYKXCCRO-UHFFFAOYSA-N 461.012 5.149 30 20 JKED C=CCN(C(=O)CCc1c(C)nc(SC)nc1O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 648350901 ICADXAXGHNXNAR-UHFFFAOYSA-N 495.457 5.795 30 20 JKED COc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CCC2)cc1 726322260 SBCMXYPWNVZLTB-GOSISDBHSA-N 457.382 6.424 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1Cl 726408276 DOIVAXWZYIRANS-FQEVSTJZSA-N 498.992 5.573 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1F 726411999 PNNWSEKFTDRCBP-HXUWFJFHSA-N 487.553 5.195 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2ccc(C(CC)CC)cc2)c1 726573105 LXOJKGLHKINGLE-UHFFFAOYSA-O 485.673 6.970 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)nn(CC)c2C)c1 727252030 NZSHLFTXVWSWJI-DEOSSOPVSA-N 489.645 5.243 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COc3cccc[n+]3[O-])c2C#N)C(C)(C)C1 727471688 CQXMBVOHHVTWSO-BQYQJAHWSA-N 477.611 5.419 30 20 JKED N#CCOc1ccc(CNC(=O)c2ccccc2SCc2ccc(Br)cc2)cc1 727676883 FFZYQKAKRBKNPJ-UHFFFAOYSA-N 467.388 5.574 30 20 JKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1Br 728668584 ZDOIGXLFCYFIJM-OAHLLOKOSA-N 465.303 5.297 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCCCC#N)C2=O)c1 728780297 PWWHHIGNSPAGEZ-QFIPXVFZSA-N 466.582 5.405 30 20 JKED N#Cc1ccc(NC(=S)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1Cl 728793737 WRFMVDGEIZTFGP-UHFFFAOYSA-N 457.990 5.610 30 20 JKED CC(C)(C)C(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)C1 729069258 DUHVQAMVJWHVRC-DNOGWHSCSA-N 453.652 5.072 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1scnc1C 729145174 JIPXAIIVCUMJEV-OAQYLSRUSA-N 494.642 5.183 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 729634228 JRKAHGGVRXGLKU-NRFANRHFSA-N 482.968 5.343 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 729650182 RNQPIUMOVRHUKO-UHFFFAOYSA-N 479.330 5.215 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1Cl 730715182 LBFSYIQGXYUOKN-KRWDZBQOSA-N 475.357 5.142 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2csc3ccccc23)cc1 730717596 PIEDEVMRCIGPDL-NRFANRHFSA-N 487.610 5.160 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3cccnc3)C2=O)c1 730943934 NSAHHABQNGRWOD-KSFYIVLOSA-N 495.004 5.465 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cccc(OC(F)(F)F)c2)cs1 730948241 AIMZXAUOGYFCMC-JXMROGBWSA-N 450.413 5.762 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1cccc(Cl)c1 731068668 BGRHHNHKKITUGD-OAHLLOKOSA-N 468.966 5.024 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 744812662 PYEWKMRRDZDPRH-RUZDIDTESA-N 485.559 5.301 30 20 JKED COc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 746631929 QUSQLYMFEXAMQZ-INIZCTEOSA-N 493.585 5.055 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746661096 XNSJISRVQLTSSS-QFQXNSOFSA-N 451.595 7.199 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C)c1C 746696439 NJXYCOCCRKWIEX-QFIPXVFZSA-N 489.588 5.359 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccccc1 750388044 BIKOFJIBYUOCHH-JXFKEZNVSA-N 471.586 5.390 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C#N)c2)c1 787093194 ICVAWECIRPYJPR-UHFFFAOYSA-N 486.380 5.499 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CSc3nnc(C)n3N)c2C#N)C(C)(C)C1 789857383 DSUMGPAHSWRHPI-AATRIKPKSA-N 496.687 5.112 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(Cl)cc(Cl)c1 799223167 GDVSEUQRDWCQAJ-LJQANCHMSA-N 460.386 5.204 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1OC 808069692 GDTYEHIPZDBMPT-LJQANCHMSA-N 487.610 5.232 30 20 JKED C[C@H](OC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccccc1C#N 842009754 GRQVRECEJSKHMF-KRWDZBQOSA-N 455.489 5.349 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2sc3nc(C)nc(C)c3c2C)c1 874098500 SYMROXNHRJNKRA-UHFFFAOYSA-N 466.636 5.390 30 20 JKED N#Cc1ccc(N2C[C@@H](c3nc(-c4ccccc4OCc4ccccc4)no3)CC2=O)cc1Cl 904463189 FJVIAHGHRSMDIX-IBGZPJMESA-N 470.916 5.361 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1SCC#N 913350501 QITXMGIXGJPVSQ-UHFFFAOYSA-N 476.341 5.368 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1C 914540457 YTNPYHGTLJPIJJ-RDPSFJRHSA-N 472.614 5.098 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2ccccc2s1 915098249 NOQYNYHKPNYJKO-HUUCEWRRSA-N 458.370 5.332 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3c(Cl)n2)n(C2CCCC2)c1C 915445494 MJVDIFXMXZNTER-UHFFFAOYSA-N 450.926 5.089 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166370 DAXOKMOUFIXXST-IBGZPJMESA-N 481.421 5.472 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c1C 916208290 YSIVUQWWVJVHNV-IBGZPJMESA-N 472.408 5.189 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccccn3)C2=O)c1 916208970 BLFXOFBYVKPFOA-JOCHJYFZSA-N 479.005 5.512 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(C[C@@H]2CCCO2)C1=O 916211324 MIGAEYRTSCTJHS-URXFXBBRSA-N 495.645 5.232 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888210 TVIUZZSPBGEDAU-KRWDZBQOSA-N 457.527 5.318 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)c1 916918842 SKUNRVWXYQOQPM-DEOSSOPVSA-N 498.560 5.186 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 916932623 ZYOZBYAKUHHVAT-CVDCTZTESA-N 477.351 5.648 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cn(-c3ccccc3)nc2-c2cccs2)c(OC)c1 917030765 YXUNCZIBGOHYFI-UHFFFAOYSA-N 488.598 5.047 30 20 JKED C[C@H](c1ccccc1)n1c(-c2ccccc2)nn(CN(CCC#N)Cc2cccnc2)c1=S 917413891 YSUCUGHZCFJLKZ-OAQYLSRUSA-N 454.603 5.459 30 20 JKED C=C(Cl)COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917560682 VSNCPUWZSMTYNU-KPKJPENVSA-N 473.381 6.509 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C)c(C)c1 917659460 ASHLYBCMBBIZQV-XMMPIXPASA-N 479.646 5.030 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 917803010 DCMQTJIXZPWNNV-GDLZYMKVSA-N 488.543 6.038 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc[nH]2)ccc1Cl 918013215 JVCKTGTWHAWERK-QFIPXVFZSA-N 469.994 5.027 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1 918034462 PLSXGKOIVVSOKJ-VWLOTQADSA-N 461.525 5.311 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)C3CCCCC3)cn2)c1 918270210 MBIQGSGIFXRLHL-VWLOTQADSA-N 454.530 5.122 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(OCCCC#N)c3)c2)cc1C 918330754 ANXBATQTXYGUEN-UHFFFAOYSA-N 498.004 5.693 30 20 JKED CC(C)c1ccc([C@@H](CNC(=O)c2ccccc2OCC#N)N2CCc3sccc3C2)cc1 919815871 XXNNZEIWIAGUJH-XMMPIXPASA-N 459.615 5.303 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCSc2ncnc3sc(C)c(C)c23)cc1 920111109 JHMGKFVZGXINOD-KUHUBIRLSA-N 466.632 5.651 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c1 920354423 CMIOVCVJEZXYOS-QFIPXVFZSA-N 462.575 5.069 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c1 920356362 SYPRAIWFZGWWKV-QFIPXVFZSA-N 480.565 5.208 30 20 JKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)Nc1ccccc1C(F)(F)F 920415246 HNOIPIHBIXRUST-INIZCTEOSA-N 468.431 5.340 30 20 JKED N#C[C@H](C(=O)c1cnc(S)n1-c1ccc(F)cc1)c1nc(-c2c(F)cccc2F)cs1 920806368 KDYRGJFBXJJHIL-CYBMUJFWSA-N 456.474 5.192 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CCC#N)c2ccc(C)cc2)ccc1Cl 920971540 ZGYRCEHPRSYBOC-UHFFFAOYSA-N 494.016 5.590 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N\C[C@H](O)c1ccccc1C(F)(F)F 920990766 BRWLYCKODOLDOU-NRXNTNCPSA-N 467.079 5.089 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 921114642 XGZZNUAZQOSNND-HHHXNRCGSA-N 466.585 6.183 30 20 JKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3cc(OC)c(O)cc3Br)c(=O)oc2c1 921266015 VAYKIGIFWDZSEB-CLFYSBASSA-N 472.335 5.012 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1785907357 BTYPLXJBHGGKBM-HSZRJFAPSA-N 483.653 5.534 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)CCC2)cc1 1786393590 GOBIQBAESVUQHL-OAQYLSRUSA-N 457.546 5.148 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)cc2)CCC1 1787110212 MBEUGVHSALIHHW-UHFFFAOYSA-N 480.490 5.052 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)CCC1 1788835018 QFBPKQDCVUMSBD-GOSISDBHSA-N 476.602 5.359 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789455999 IDAGIBFETITHPF-XUZZJYLKSA-N 495.664 5.536 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4SC=C[C@H]43)CCC2)cc1 1789508940 CPBLLNAJGMBOHQ-WWNPGLIZSA-N 452.696 5.047 30 20 JKED COc1ccc2c(/C=C/C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)c[nH]c2c1 1789577881 RTEMTYDNWDQMHR-CNKPNACGSA-N 496.567 5.036 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)C4(C(F)(F)F)CCC4)CCC3)cc2)c1 1790072825 SZNQOBZVZJOSLM-UHFFFAOYSA-N 471.479 5.047 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3C#N)cc2)CCC1 1790473023 ITUVUTGCVXJFDR-VWLOTQADSA-N 457.574 5.012 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3C)CCC2)cc1 1790564971 VODKKNRIIQCZBS-OAQYLSRUSA-N 484.600 5.606 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)c(C(F)(F)F)o1 1790764591 DATGZYRGGHQCHC-UHFFFAOYSA-N 485.437 5.679 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)cc2)CCC1 1791147670 PXMXJBWNZSNKHV-IDISGSTGSA-N 457.618 5.053 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4C[C@H](F)[C@H](C4)N3C(=O)OC(C)(C)C)CCC2)cc1 1791252135 IMLJXLQENIVPQS-JGOTUQMDSA-N 499.627 5.069 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C(=C)C(F)(F)F)cc2)CCC1)NC(=O)OC(C)(C)C 1791305930 ZWYKGGPMBLHBGW-IBGZPJMESA-N 495.542 5.099 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1)c1ccc(O)cc1 1791643920 AFAQLYRJUALPFD-IBGZPJMESA-N 466.528 5.069 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)nn4C)CCC3)cc2)c1 1792124762 HGBHGPBGPTUJNZ-INIZCTEOSA-N 495.505 5.127 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5[nH]ccc45)CCC3)cc2)cc1C#N 1792168501 IVMXUHFZKCURLB-UHFFFAOYSA-N 493.567 5.283 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)c(Cl)c1 1792240618 LVULMKXPUHPFKM-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2 1792574424 AHUFJLZXFNVPLT-BJESRGMDSA-N 489.701 5.091 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3c(Cl)ccnc3c2)c1 1800882531 VIEQBADMQNXCOK-ZIPUMODLSA-N 472.976 5.081 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)cc(Cl)c2[nH]1 1801010945 VQJRCWWJRMPVRQ-SJWGOKEGSA-N 478.818 5.048 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccc(Br)cc2c1C 1801205604 HRRDYJCPDCZCIF-YRPNKDGESA-N 484.438 5.259 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)N(CC(C)C)CC(C)C)C(F)(F)F 1801399765 BSFOJIBRWWNXGA-UEQSERJNSA-N 493.614 5.098 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1802502059 DZWXWTBNOIKBCE-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1806029576 MPDQPTOMEVYCFH-HXUWFJFHSA-N 460.574 5.022 30 20 JKED C[C@H](c1ccc(CC(=O)N2CCC3(CCCN(C(=O)C(F)(F)C(F)F)C3)CC2)cc1)C(F)(F)F 1806503481 JSVAAKZXZUBAQO-OAHLLOKOSA-N 496.467 5.027 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1806594742 VOAKUOFTZUZNHA-XUZZJYLKSA-N 487.566 5.341 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1807965767 PMSQHAUSXKHPSY-SIKLNZKXSA-N 480.659 5.149 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)ccc3F)CC2)C1 1808382029 ZTIQSGYINJLZIQ-UHFFFAOYSA-N 465.569 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810172486 BOUZODXEYHBVSY-JCYYIGJDSA-N 480.612 5.232 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)ccc(F)c1F 1810277736 TUKLBHOAPDGPBE-RLWLMLJZSA-N 497.662 5.039 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(F)c2C)[C@H]1c1cccnc1)c1ccccc1 1810440575 JSCMMERFCZJFCA-MPYJOUPCSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2OC)[C@H]1c1cccnc1 1810502005 GAPJKVYJCFUXGA-CVDCTZTESA-N 470.013 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1811286289 LVWHBKCZUYUISU-VVZHRXSXSA-N 498.652 5.637 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1812199915 PGULJOVNFXPHHH-DCLXLUIPSA-N 475.614 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1813825624 GDVGBWAKYULVIA-OFNKIYASSA-N 454.014 5.355 30 20 JKED Cc1cc(F)c(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1F 1813854234 DMXQRKOYHDVROG-RLWLMLJZSA-N 497.662 5.039 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c1Cl 1814622205 HZDYJOCUGHSWNC-LJQANCHMSA-N 486.334 5.347 30 20 JKED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1)c1ccc(Cl)cc1 1814660423 LWPVCRFPPXUCIS-OPAMFIHVSA-N 461.953 5.044 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)[nH]n1 1814826783 ATSZWPSRLIMHJQ-NRFANRHFSA-N 452.599 5.683 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(F)ccc2Cl)n[nH]1 1815574443 QGYZDYXEPVCLIQ-WIYYLYMNSA-N 458.965 5.205 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)COc3cccc4ccccc34)n[nH]2)c1 1815651621 PDJUBRKMTFCISF-RUZDIDTESA-N 493.567 5.128 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(F)CCCCC3)n[nH]2)c1 1818883206 DVLSNHPTRAJIGO-DYESRHJHSA-N 451.546 5.015 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)[nH]n1 1819309958 LXPHHKRIIUOTCE-TZIWHRDSSA-N 474.527 5.432 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc([C@@H](C)C#N)c1)CC2 1819979404 RWZOYZNGUNXKDA-QWSHPKPYSA-N 474.586 5.001 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1820641786 GNWIFORWLAIOKS-CLOONOSVSA-N 485.588 5.445 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1821925275 PDEYALUNCZVXCC-SCLBCKFNSA-N 452.452 5.086 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1822585320 PSZMNQXVPMCJGV-GOSISDBHSA-N 491.817 5.325 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccncc3C(F)(F)F)[nH]n2)c1 1823212272 NHDBFOFVRSUPCX-VFNWGFHPSA-N 496.493 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c1 1823216655 YPGBXVQEMLBMJK-IVZQSRNASA-N 479.943 5.449 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cn1 1823655150 NYTZZUAGDRPUGQ-YUAYGMJFSA-N 493.673 5.113 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2SCC)CC1 1823659961 OMRZDEMIWCRCLQ-JTHBVZDNSA-N 455.668 5.195 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC(F)(F)C3)CC2)cc1C#N 1823698612 ZWCROKPRCKOWPC-GGAORHGYSA-N 487.591 5.014 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c1 1823938537 FWXVDYUNYGCOPC-HSZRJFAPSA-N 471.935 5.037 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)CC1 1824245798 HCPRZJLNIHOWOW-QNAFOZIXSA-N 482.068 5.537 30 20 JKED O=C(c1ccc(OCCCC(F)(F)F)cc1)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824414003 VFYZANKXZOEXSW-XMMPIXPASA-N 490.566 5.055 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1824500063 FJQQYYKDVRXLAH-XMMPIXPASA-N 495.491 5.529 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824641383 NXSLWHODEZFJNF-MYJYKVKASA-N 452.561 5.107 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3C(C)(C)C)CC2)c1 1827299454 KQAXDLLRPMQZQJ-HFZDXXHNSA-N 486.660 5.553 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)c2s1 1828097787 ZZCGMQVRMTZCRJ-XMMPIXPASA-N 472.614 5.024 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)CC1 1828524742 RQAYSLIFENUHAI-QHCPKHFHSA-N 466.622 5.667 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 1828828572 MAZGUHQTOJLCRN-UGKGYDQZSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(OC)c2)CC1 1828829583 JNOCUHHUONZBAH-RPWUZVMVSA-N 459.030 5.350 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1828829637 FXEHCJVLLWYTCW-BKMJKUGQSA-N 480.052 5.890 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1828830103 KYRPYGJVXFVKNF-YKSBVNFPSA-N 468.041 5.823 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(Br)nc2C)CC1 1829066839 WAFSWBPBAKGIDD-SFHVURJKSA-N 496.515 5.440 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829520020 QCCKLEHHVRUNLQ-IAPPQJPRSA-N 471.645 5.750 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829698094 CSAMMDDCGIPTEO-QHCPKHFHSA-N 473.013 5.302 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829938788 CZZTVBCOPJYLCV-IBGZPJMESA-N 458.471 5.150 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2OC)CC1 1830715457 YCHXELLKNIYUGL-KKSFZXQISA-N 495.433 5.042 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830731034 OJAURKNMTDQCEH-AZUAARDMSA-N 475.457 5.320 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3oc4ccccc4c3C)CC2)c1 1830769629 UFPRROHHZXDCMP-VWLOTQADSA-N 469.585 5.468 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1831445872 WTWFMWOTJDQHNP-REXAPNPKSA-N 485.575 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1 1832629227 MCNAEPSCMVQRLG-ZONRAWCTSA-N 487.566 5.280 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3=NO[C@H](c4ccccc4)C3)CC2)c1 1832631314 CJJTXKXMKPGQOR-FQNJNTOFSA-N 498.627 5.065 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 1832635672 OIOLEYPZNMPHRC-CYFREDJKSA-N 495.570 5.462 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)c3ccccc3)CC2)cc1C#N 1832702007 ALHOZAQMSBAPHI-AHKZPQOWSA-N 491.607 5.290 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832985254 JZYYWYOSDHEOBM-NMOPKGMDSA-N 495.667 5.232 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2cc(Br)cc(Cl)c2[nH]1 1847531758 LNDAZCBBPLELDT-PMACEKPBSA-N 490.829 5.168 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9847901 XZXAIKPODVVWQE-AWEZNQCLSA-N 491.400 5.100 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173916 VEUTUMOYSLLFTN-UHFFFAOYSA-O 495.668 6.631 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 10405070 APHSPKPEZCHZRC-UHFFFAOYSA-N 477.417 5.197 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C(C)(C)C)cc1 11153640 BYXONRFRYGLXPY-UHFFFAOYSA-O 457.663 6.428 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11264721 VYICSRBYWLTBIN-UHFFFAOYSA-O 457.663 6.590 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(C(C)(C)C)cc1 14101715 RJKSWZRYXDHQNB-UHFFFAOYSA-N 474.552 6.178 30 20 JKED COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC 15644144 YMJVDWOMUJQOLD-HOFKKMOUSA-N 469.541 5.007 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2sc3c(c2c1=O)CC[C@H](C)C3 17534976 RNFNOZJEJFXBEC-STQMWFEESA-N 470.645 5.734 30 20 JKED C=CCn1c(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)nnc1-c1ccc(F)cc1 22162726 UZOUPJIUXMXMGF-CYBMUJFWSA-N 495.630 6.150 30 20 JKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)cc1 24876475 LVXGNUAVRCJZBR-UHFFFAOYSA-N 493.976 5.409 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nnc1[C@H]1COc2ccccc2O1 25766837 HRYKZXQFIRABBH-HXUWFJFHSA-N 450.495 5.063 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1sc2ccccc2c1C)[n+]1ccc(C(CC)CC)cc1 27310220 CSRDGWGFMPMOTH-UHFFFAOYSA-O 451.681 6.505 30 20 JKED C[C@H](NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C#N)cc1 33179028 DAJGDRNJOTVKDB-AWEZNQCLSA-N 471.460 6.127 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(-c2ccc(Cl)s2)nc1C 109195305 IUTOHSWYOFXWJP-UHFFFAOYSA-N 466.975 6.453 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cc(Br)cs2)c1 302956603 FUEYNRHYNWUMHD-UHFFFAOYSA-N 486.416 5.043 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](Cc3cccc(F)c3)c3cccc(F)c3)CC2)c1 409628066 UEERZSQSMKJIFF-SANMLTNESA-N 488.538 5.181 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(F)ccc3NC(=O)c3ccccn3)c2)cc1 483345494 FYILYENRCLEADQ-UHFFFAOYSA-N 452.445 5.389 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Br)cc3C(F)(F)F)CC2)c1 502664188 DKTFNAWJXUPECP-UHFFFAOYSA-N 495.299 5.222 30 20 JKED COCCOc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 503082367 AHDQVMFSODTNBO-WZONZLPQSA-N 493.991 5.912 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(CSc3nccn3C)c2)cc1 505697655 LAOBJPHLIDDGKA-UHFFFAOYSA-N 470.554 5.637 30 20 JKED C=CCN(C(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 505869770 OYFLBBOXAYYSJU-OALUTQOASA-N 492.601 5.160 30 20 JKED C[C@@H](Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)NC1(C#N)CCCCC1 507524323 BOKRIHASVNZFKK-MRXNPFEDSA-N 458.484 5.101 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1 508450003 MPRGIRXSZBZWDT-UHFFFAOYSA-N 453.502 5.477 30 20 JKED CCOc1cc(Br)c(CC(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)cc1OCC 509555718 BBHBGJXRTKAAHP-MRXNPFEDSA-N 459.384 5.270 30 20 JKED CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)[C@@H](C)c1ccc(C#N)cc1 509564981 RIKLDKATEPAXOY-SFHVURJKSA-N 455.562 5.984 30 20 JKED COc1ccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc12 511135588 PJXZQOBQHBLWCV-UHFFFAOYSA-N 458.539 5.294 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cc1Cl 512198178 UPNDHANZSCRJFN-JTHBVZDNSA-N 463.990 5.229 30 20 JKED CCCCc1oc2ccccc2c1CN(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 512657065 VXONPPJPERJQHH-UHFFFAOYSA-N 486.572 5.770 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(Cl)c1 514298324 DBJHHMDRWQFTCR-UHFFFAOYSA-N 487.393 5.356 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1 515796322 KQSQBJXPALSISV-UHFFFAOYSA-N 482.584 5.782 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2Br)on1 518239673 KGXVDWCVHFDLNK-HNNXBMFYSA-N 486.391 5.971 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 518874459 DJPPWVHAMBFOEW-RUZDIDTESA-N 457.530 5.572 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(COc4ccccc4)cc3)cc2)cc1 519091288 SUXBXQRYFSLNGX-UHFFFAOYSA-N 477.520 5.184 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)C(=O)Nc4ccc(Oc5cccc(C#N)c5)cc4)CC3)c2c1 520190520 WULJEECPRHBLJM-UHFFFAOYSA-N 492.535 5.095 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 520453754 LABDNKGFUAEUSL-UHFFFAOYSA-N 457.578 5.251 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccn2)nnc1-c1ccc(Cl)cc1 520642290 GCUMPKPQAHNNPL-UHFFFAOYSA-N 465.966 5.098 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 520937911 LJJDFCRCZPISMM-OALUTQOASA-N 490.604 6.284 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 521746392 HILWGBXYLURLEN-SSOJOUAXSA-N 493.654 6.197 30 20 JKED Cc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)N2CCCC2)o1 523220352 LDWJSAPKKQRXEO-VWLOTQADSA-N 460.553 5.148 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 524423008 RKHSPOLTRWGXDE-OAQYLSRUSA-N 482.005 5.694 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(C(F)(F)F)c1 524468748 GIIGUSLNBZISBF-AWEZNQCLSA-N 485.553 5.040 30 20 JKED C=C(C)COc1cccc(NC(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1 589741814 SHQCETBDJHIJIB-UHFFFAOYSA-N 472.383 5.287 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 603697190 HVSMCIRNIDDUJA-UHFFFAOYSA-N 476.536 5.022 30 20 JKED C=CCN(C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604110680 SQXQGXDOJKIQQM-UHFFFAOYSA-N 493.520 5.368 30 20 JKED COC(=O)c1occc1CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H](C)c1ccccn1 604568210 NUHFONICIFJVFE-HXUWFJFHSA-N 495.535 5.315 30 20 JKED Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 608994684 PWDKAZVOUDXCLS-UHFFFAOYSA-N 478.628 5.456 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)cc1 608995452 QXZIZUDBXUVUAB-UHFFFAOYSA-N 488.975 5.739 30 20 JKED COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609061137 OIWKKBPMBGTAAX-NRFANRHFSA-N 473.312 5.023 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 609061216 VWVHRQOIKGSXKZ-VWLOTQADSA-N 497.595 5.092 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 609153560 SCBOTOWIMHPWGZ-SFHVURJKSA-N 459.506 5.122 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@@H]1C 609156705 ILLJSNOAHGIXGG-BUUDZMLXSA-N 494.595 5.777 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2)cc1 609176271 CSPOZQORXFXVTO-UHFFFAOYSA-N 466.463 5.619 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccccc3)Cc3ccccc3)s2)cc1 609206440 NVFLHTVRWLTDMK-UHFFFAOYSA-N 471.611 5.936 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 609252879 VQXFYSUFDBHIIM-UHFFFAOYSA-N 469.589 5.225 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cn1 609403109 SXPXUOAUVYKPBV-GOSISDBHSA-N 462.575 5.846 30 20 JKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613403845 GPRICZRUBKXYTE-SFHVURJKSA-N 468.431 6.175 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)nnc1-c1ccccc1 613808868 HOWGHMQHDVZOQY-QHCPKHFHSA-N 462.619 5.376 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)nnc1-c1ccncc1 613905397 MDHARMNBIMTGAW-FQEVSTJZSA-N 453.587 5.051 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1nc2ccccc2o1 614439688 DDQDGMOZAXSZRU-LJQANCHMSA-N 474.314 5.262 30 20 JKED O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618538035 IPYYDWNKXGXFKE-PHIMTYICSA-N 473.389 5.607 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 621234728 IYFJGQQXXDCTGF-UHFFFAOYSA-N 482.414 5.964 30 20 JKED Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CC[C@](F)(c3cccc(C(F)(F)F)c3)C1)CC2 622584569 FNFIRBOBEAWRLU-ZUOKHONESA-N 475.408 5.025 30 20 JKED C=CCn1c(S[C@@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)nc2sc(C)c(C)c2c1=O 639387084 NCJMISVFTVNSNV-GHTZIAJQSA-N 483.659 5.018 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nnc1[C@H]1COc2ccccc2O1 639395103 WYJAESLLBJOFOE-RPWUZVMVSA-N 490.629 5.221 30 20 JKED C=CCN(C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1nc(-c2ccccc2)cs1 680452989 DGNPWPDZVIAWAI-UHFFFAOYSA-N 476.627 5.070 30 20 JKED C=CCN(C(=O)[C@H](C)Sc1ccc(Cl)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 684073331 ATRXZXGFBAWRMQ-HNNXBMFYSA-N 493.075 5.567 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc(-c2c(F)cccc2F)cs1 726328787 LTPQRQKSKHBYID-AWEZNQCLSA-N 481.505 5.359 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CC[C@@H](C)OC)C2=O)c1 726392554 HRLWVIGTMPEFHV-HOYKHHGWSA-N 491.613 5.234 30 20 JKED Cc1[nH]c2ccc(CN3C(=O)[C@H](CC(=O)NC4CC4)S/C3=N\[C@H](C)c3cccs3)cc2c1C 726415225 GBLZBNXBMSWWIU-NXBLHBGRSA-N 480.659 5.076 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(OC(F)F)cc2)cs1 726426598 AZRHZIYLWXIBML-UHFFFAOYSA-N 470.423 5.894 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)c(C)c2)cc1 726571113 DVFKWZGABCPAHJ-UHFFFAOYSA-O 491.080 7.343 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2nc(-c3ccccc3)no2)cs1 726738259 OLXRCFPFWAMNBR-UHFFFAOYSA-N 472.452 5.343 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)cc1Cl 726891778 QOFPCUOXCVBHMP-FQEVSTJZSA-N 457.983 5.088 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2cccc(C)c2)c1C 727252858 QSFDTAFFMWEKNA-DEOSSOPVSA-N 489.645 5.297 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2ccccc2Cl)n1 727627611 OFBRGTZCBCFLDK-AWEZNQCLSA-N 450.734 5.731 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CCCCC#N)C2=O)cc1 728776928 VLRLMCPMXSHGEL-VWLOTQADSA-N 498.608 5.697 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)cc1 729887731 BIRRCAODVAJJJY-FGZHOGPDSA-N 475.614 6.341 30 20 JKED CCc1cc(NN=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nc(-c2ccccn2)n1 730463520 HBYKTDAHCXUUIL-UHFFFAOYSA-N 477.981 5.342 30 20 JKED Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)cs2)c1 731068601 CCBOHFJIHOFBEE-KRWDZBQOSA-N 465.600 5.095 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c12 731069281 ARZNJWIUIPOARE-INIZCTEOSA-N 486.553 5.388 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2cccs2)c1 731315565 IIIDTFMPRXPAGP-HXOBKFHXSA-N 489.622 5.027 30 20 JKED CCN(CC)c1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)c(O)c1 744761355 HQNVRTBVTFJWEG-UHFFFAOYSA-N 453.612 5.012 30 20 JKED COc1ccccc1-c1nc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 746918575 SZYJEYQWFLSFLM-CQSZACIVSA-N 481.599 5.205 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCCCC#N 747472877 GWVPILPINBWDCI-YBFXNURJSA-N 462.955 5.576 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)Cc2csc(Br)c2)c1=S 747788129 DCZHVMTYRCTDKO-UHFFFAOYSA-N 483.432 5.232 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\Oc3ccc(F)cc3C2=O)cc1OC 749747040 STZVNBAIGCSEJG-RMORIDSASA-N 483.879 5.130 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@@H](COCC(C)C)c2ccco2)C1=O 750911749 REGVDBXGAXLJDA-HKUYNNGSSA-N 498.432 5.068 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C1=O)NC1CC1 750917997 ZQBWKBNRDGCJHJ-RLLQIKCJSA-N 491.510 5.001 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(SCc2cccc3ccccc23)sc1=S 798151042 VJGNERQOBAJERT-UHFFFAOYSA-N 463.657 5.888 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc12 824693274 FAYTVJCFHUIZBB-AWEZNQCLSA-N 476.583 5.001 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837302519 XTSMQVLKGJKMEH-FDDCHVKYSA-N 474.586 5.120 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837455143 IKJKDVQHKAHLSK-YADARESESA-N 488.613 5.429 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 837780375 NRSNBYFLKZKCFU-BVZFJXPGSA-N 498.583 6.095 30 20 JKED CC(C)N(C)Cc1cc(O[C@@H]2CCN(Cc3cccc(OCc4ccccc4C#N)c3)C2)ccn1 856559342 FRRUQIOOHPMENS-GDLZYMKVSA-N 470.617 5.026 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(C)=O)c(C)c2)c1 893530823 CPLAZMRXGHXJFX-UHFFFAOYSA-N 498.004 5.240 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)c2nccs2)ccc1Cl 915042682 XIEGGPKIOFFQMD-UHFFFAOYSA-N 482.414 5.108 30 20 JKED C[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)c1ccccc1 915102834 IOEGQCBLCMSCSZ-GUYCJALGSA-N 458.370 5.502 30 20 JKED COc1ccc(-c2nc(S[C@H](C)c3nc(-c4ccc(F)c(C)c4)no3)nc(O)c2C#N)cc1 915794707 TYSCZUMUPFTKFH-CYBMUJFWSA-N 463.494 5.080 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccccc3)C2=O)c(OC)c1 916206749 RNFXBHLPEIIJSV-DEOSSOPVSA-N 489.597 5.173 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1Cl 916684273 WAGNPLZZHSSBPV-AOYPEHQESA-N 459.977 5.973 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C 916901406 HJHZZIKTMOOWIX-OAHLLOKOSA-N 474.369 5.704 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 916925837 PDWAZBUFKLRING-QFIPXVFZSA-N 469.516 5.653 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 916928673 QRWBZEFJGLLYGG-ZDUSSCGKSA-N 481.748 5.136 30 20 JKED CCCCCCn1nc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2c1=O 916944830 OBZUEWIJIRGIHE-FQEVSTJZSA-N 485.371 5.245 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1 916950188 SHHVYDKAFPRYGM-BTYIYWSLSA-N 465.351 5.109 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)c1 916975934 GPULORZVNJYABJ-SIKLNZKXSA-N 478.017 5.809 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccccc1Br)c1nc2cc(C(F)(F)F)ccc2s1 917043899 OXFLVBSPKQCCGA-ZDUSSCGKSA-N 483.309 6.113 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c1 917668599 CXZDVCOKMFCOGQ-JBRSBNLGSA-N 490.673 5.199 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccc(F)cc2)n1 917678134 PYKOIDLIFGPMDZ-QFIPXVFZSA-N 496.995 5.651 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)sc2c1CCCCCC2 917784055 UAOWRBJOTUXOSI-UHFFFAOYSA-N 480.903 5.179 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(C3SCCS3)cc2)c1 918163252 MIDSREVGRJHCJF-DAFNUICNSA-N 489.688 5.011 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1 918414456 HNNBMYHZFYDWFA-DEOSSOPVSA-N 488.385 5.234 30 20 JKED N#CCOc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)c1 918596326 ATHCAVSARSGBMK-UHFFFAOYSA-N 463.419 5.108 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c12 919195381 FSHLPTNXJPGJMS-UHFFFAOYSA-N 483.572 5.280 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2cccc(CC#N)c2)cs1 919310802 WFDJORVEYAHNBA-UHFFFAOYSA-N 460.342 5.558 30 20 JKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 919653432 YCGPRWHXZYIKDB-UHFFFAOYSA-N 494.595 6.225 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1 919773601 SZZXJSBZPQDZAE-VWLOTQADSA-N 459.977 5.865 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2c1C 920109598 GTFPJNNEKGYJBT-ZDUSSCGKSA-N 479.414 5.445 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cc1 920205571 VRWJWAFPVVHYGO-VWLOTQADSA-N 471.988 5.562 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(F)c(F)c1 920356531 PWCSZHYWKNLPOI-QFIPXVFZSA-N 481.524 5.134 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 920674525 ZBGHOOGHYKONSH-CABCVRRESA-N 469.950 5.059 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 921103388 LRANEXKNCRHNTF-SNVBAGLBSA-N 478.020 5.439 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 921114643 XGZZNUAZQOSNND-MHZLTWQESA-N 466.585 6.183 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Oc1ccc(-c2ccc(I)cc2)cc1 921240464 QIHQEINTIWIJGA-UHFFFAOYSA-N 498.320 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c(F)cc(Cl)cc1Cl)C2 1779512086 GPDQVDXBYFZSDZ-NTKDMRAZSA-N 485.427 5.252 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cc(Cl)ccc1Cl)C2 1779512657 FCXRNULZYIPQSA-ATIYNZHBSA-N 495.491 5.432 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(Br)c4[nH]3)CCC2)cc1 1786371599 LXOBBVYHVUJLDI-INIZCTEOSA-N 496.405 5.269 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786576810 WNHXDVJMLQULDJ-RPWUZVMVSA-N 495.664 5.679 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccco5)no4)CCC3)cc2)c(O)n1 1787173457 XGZBNDYBXRZFGR-UHFFFAOYSA-N 498.539 5.215 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(Cl)c4)cc3)CCC2)cc1C#N 1787384944 NVFTXWGKUKDBTN-UHFFFAOYSA-N 488.975 5.455 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CSc3ccccc3)cc2)CCC1 1787774024 PVDQFXJBAUITID-BUHFOSPRSA-N 476.623 5.413 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4cc(OC)ccc4n3)cc2)CCC1)C(F)(F)F 1789028685 ZIVDVSZNEWCFIQ-UHFFFAOYSA-N 469.463 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)[S@](=O)c3ccccc3)CCC2)cc1 1789458244 ROKFPQIPDUHJCZ-KPITWACZSA-N 464.631 5.085 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1789585505 HSZNVLFZVGWINI-SAPNQHFASA-N 457.505 5.450 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3oc(C)nc3C)cc2)CCC1)c1ccccc1 1789791151 IRCOPLYOVRHYJC-DEOSSOPVSA-N 455.558 5.236 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3csc(-c4ccccc4)n3)CCC2)cc1 1790511481 LUUVPLGTZHRVOY-UHFFFAOYSA-N 489.597 5.067 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790553959 VXLMNLYAYKQHSE-ICSRJNTNSA-N 457.615 5.026 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4occc4Br)CCC3)cc2)c1 1790762673 OTZJTGZLKQZFOQ-UHFFFAOYSA-N 482.309 5.114 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)cc2)CCC1 1790772677 ZXSKLAKGAVRZMD-OAHLLOKOSA-N 487.597 5.239 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)nc(C(F)(F)F)c3)CCC2)cc1 1791300757 YCEHJCXRONKVHS-UHFFFAOYSA-N 483.437 5.068 30 20 JKED Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NC2(c3ccc(NC(=O)[C@H](C)S)cc3)CCC2)cc1 1791570498 LYURHZBTZPWKGA-PGRDOPGGSA-N 497.661 5.013 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1791584445 OODKGFZQSGBPTH-UHFFFAOYSA-N 465.553 5.979 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)CCCn3ccnc3C)cc2)CCC1)c1ccccc1 1791828177 XCUUBJCOJGDOSE-HHHXNRCGSA-N 482.628 5.303 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccnc4Cl)CCC3)cc2)c1 1792123288 SJRSXZHNAYLWOH-GOSISDBHSA-N 472.976 5.352 30 20 JKED Cc1cncc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)c1 1792168264 GIMGOKWYLIUGFQ-UHFFFAOYSA-N 468.557 5.110 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CCC5)cc4)CCC3)cc2n1 1792230541 YZRBSKLCNDWMEV-UHFFFAOYSA-N 472.976 5.638 30 20 JKED CSc1ccc(CC(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)cc1 1792240646 MZBMKBPQPDBCAX-UHFFFAOYSA-N 485.609 5.036 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCC(=O)OC(C)(C)C 1800205823 DUWOODLYRFNRKL-KOUNCHBCSA-N 462.675 5.299 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1802720140 SZCDADBHDMPGNP-UPVQGACJSA-N 451.998 5.131 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1803565826 OSIOFHBRBJBQHA-LMSSTIIKSA-N 483.612 5.051 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 1803893669 QYZFQIJFSUMXTE-ACDBMABISA-N 489.925 5.115 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1809096021 SWTKEZODACBDGD-JYFHCDHNSA-N 470.617 5.250 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1809402553 KVAHWTQRPDFFSF-BPYKYCOYSA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810173112 FEBURRHVZOWIGM-SXSPYAJSSA-N 489.513 5.328 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)c2[nH]1 1811420638 VPWWUMISXAMLRT-HFZDXXHNSA-N 497.986 5.030 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)cc2c1 1811420736 WMJHXUXWVSHWTH-IBVKSMDESA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812508613 IYLUUNRADORPGD-GZGNHOFSSA-N 485.550 5.117 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)c(F)cc3nc2Cl)[C@@H]1c1cccnc1 1812591238 CFBKIWLBDUUGPR-WSZRMNBISA-N 498.961 5.093 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1812670423 KYHMXRSZVOLGQP-UWJYYQICSA-N 473.907 5.012 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1 1813050676 GTZLMWNGPGAQLW-LSYYVWMOSA-N 471.645 5.101 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1813226429 OZCGQKYQQHKXOC-JPYJTQIMSA-N 491.941 5.267 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)c1 1813865593 GYRKTTDYKPROBS-NMOSUYEOSA-N 498.671 5.635 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1814412019 PUYKHBMUEQEVKE-VXZSLJOMSA-N 480.615 5.067 30 20 JKED C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3c(CC(C)C)oc4ccc(OC)cc34)sc2C1 1815916374 WZNCKQOZKVQSET-KRWDZBQOSA-N 493.629 5.126 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccccc3)n[nH]2)c1 1816963806 WPQMJTINGCSTNK-DHTANIISSA-N 453.546 5.056 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)n[nH]1 1817766612 MPFVPQIXVCNUMB-HXUWFJFHSA-N 496.493 5.100 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n[nH]2)c1 1818164208 AMDHQTCLUNKEOK-JOCHJYFZSA-N 499.958 5.814 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)[nH]n1 1819302936 OWTFJRQIBOOZGO-QQGUTBHFSA-N 466.548 5.539 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)[nH]n1)c1ccccc1 1819518695 CGLUNGMGCFSQKO-XNMGPUDCSA-N 491.595 5.461 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820101981 MPXLQZCGXSXXDI-NRFANRHFSA-N 491.617 5.166 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)cc(Cl)cc3Cl)n[nH]2)C1 1821202023 MVUGQCYZCXPNDM-QGZVFWFLSA-N 451.329 5.128 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821213837 BQRILLVDGVPNPC-AUUYWEPGSA-N 462.953 5.119 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821272709 YTPSQFPEJYUICI-NRFANRHFSA-N 477.540 5.239 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)[nH]n2)s1 1821690135 WMIZABJILWNYLP-OAQYLSRUSA-N 490.633 5.019 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1821924609 FEORUIOIOFXXLW-KDOFPFPSSA-N 467.551 5.051 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)n[nH]2)cc1C#N 1822329128 LXRFWKNIJQYTDJ-GIFXNVAJSA-N 497.599 5.178 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)[nH]n1 1822383740 ICNRROAJJRNQNU-IERDGZPVSA-N 499.036 5.266 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3OC(F)F)n[nH]2)c1Cl 1823264757 XQPTZWOXRISUTC-SFHVURJKSA-N 499.905 5.156 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1823895398 UIYYIMZPUKPDNU-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1824137242 CLFUCQKIIITPFY-HFZDXXHNSA-N 452.639 5.187 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1824387941 RVVJGOXTJPXERB-GPZLUXPBSA-N 496.698 5.288 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CSC2CCCC2)CC1)c1ccc(O)cc1 1824478580 SBKVOUZYBRHNMH-RPLLCQBOSA-N 496.717 5.185 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825959819 ZQCPALPJBLWFSI-NRFANRHFSA-N 466.544 5.609 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1827364395 CIPDTNKDRMJQLE-RLWLMLJZSA-N 475.633 5.203 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c1 1828009569 FPNBGDOFLSAEKP-MHZLTWQESA-N 469.560 5.398 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1828218674 NZNGACNYTGMVLP-AFMDSPMNSA-N 499.611 5.621 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)CC2)C1 1828319514 GEBNGMWRXYODNI-OAQYLSRUSA-N 457.039 5.754 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1828344433 LBUDEPXONKBBPX-VWLOTQADSA-N 479.621 5.031 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828354827 MGFDXLCLQPWNMT-PYTLXRGNSA-N 460.618 5.834 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1)C(F)(F)F 1828459253 KWHOUESKTHRXKV-UVUJQTEASA-N 454.577 5.331 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3ccccc23)CC1 1828905147 JPVFMPGHWDWRDM-HHHXNRCGSA-N 489.736 5.519 30 20 JKED COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)ccc1C 1828906874 MUXZHTNCDPXKHY-VWLOTQADSA-N 482.741 5.288 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1 1829069331 WPFUPZRMYMJTEK-FQEVSTJZSA-N 465.560 5.326 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Sc2ccccn2)CC1 1829070052 GJDIKYZDOFCEAC-UNMCSNQZSA-N 457.684 5.174 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1829070077 GKMPBBUGRAJXKG-OTOIZHKDSA-N 467.610 5.220 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c(C)n1 1829533145 LFWZYRVPEWCTIC-DEOSSOPVSA-N 498.549 5.136 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1829589378 XSYJVNHGTRFTRO-VWLOTQADSA-N 483.616 5.013 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829973617 IPDGQGHQHQYNGX-PMACEKPBSA-N 457.467 5.181 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 1830534681 ZEABLTSOTMJSJX-QHCPKHFHSA-N 487.497 5.263 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578127 JDPDRXNCXWATBY-OAQYLSRUSA-N 466.931 5.006 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1830632701 WHSHUIIXHLGWHO-DEOSSOPVSA-N 484.427 5.607 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1830633301 JGNYGBXOTPCLBE-SANMLTNESA-N 490.047 5.371 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c(Cl)c1 1830721250 FFAITGVUQPTOMJ-NRFANRHFSA-N 492.929 5.106 30 20 JKED Cc1cc(C)nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830756666 SEEJOSZJRNILGB-DEOSSOPVSA-N 498.549 5.136 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1830766836 PTLAKUPIALNCST-SANMLTNESA-N 489.019 5.549 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)c1 1830767840 QTNIOJHEDNPXSP-SANMLTNESA-N 496.611 5.377 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3c(C)cccc23)CC1 1831001926 HBJQWDSDZRRZPM-QFIPXVFZSA-N 450.627 5.097 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(Br)cc3)CC2)C1 1831688506 YHTWXQGMAVLVBN-KXOMFBTKSA-N 471.439 5.048 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)c1 1832628899 GOGIPKJKOMPUBA-YADARESESA-N 471.592 5.372 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)C1 1832717114 HUAZERLJYHEFET-OAQYLSRUSA-N 468.947 5.558 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)ccc3OC(F)(F)F)CC2)CCC1 1832785155 KHFLFTFMBZHBFB-IBGZPJMESA-N 497.945 5.166 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1832827134 PQJDIHQQGWJIAX-SANMLTNESA-N 467.613 5.253 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1833290567 JXXDZEPVLUHLBY-UHFFFAOYSA-N 492.491 5.255 30 20 JKED C#CCCC(=O)N1CCC(OC2CCN(C(=O)CCCCCCCCCc3ccccc3)CC2)CC1 1838824164 HMOHPDIRBAQGRE-UHFFFAOYSA-N 494.720 5.762 30 20 JKED O=C[C@@H](Oc1ccccc1)c1cc([C@@H](C=O)Oc2ccccc2)cc([C@@H](C=O)Oc2ccccc2)c1 2048532649 ABLGISRFGRXNOQ-IDZRBWSNSA-N 480.516 5.644 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCc2ccc(C#N)cc2)cc1Cl 8953129 WTPAQBZOEIPQOK-UDWIEESQSA-N 465.987 5.959 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nnc1-c1ccccc1 9334326 RNEZMFSUMXCTKI-HSZRJFAPSA-N 485.569 5.820 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccs1 11182384 WMAOOGPKQGPZJQ-CPJLOUKISA-N 495.626 5.329 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)nnc1-c1ccccc1OC 21120576 JNWFMMJHFUJTGE-UHFFFAOYSA-N 499.596 5.123 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1c(C)cc(C)cc1Cl 21459842 OUQOORAQHJYCNO-UHFFFAOYSA-N 460.962 5.183 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(CC)cc2)cc1 22731433 CJXJRCIFOTXEBW-UHFFFAOYSA-O 464.567 5.203 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 23209533 NTEHYWATQVSFMN-HXUWFJFHSA-N 498.608 5.130 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 24105344 WGKUSUVKRFGZNF-UHFFFAOYSA-N 481.990 5.635 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 26037249 CJMLLJVERKRFRS-GOSISDBHSA-N 480.609 5.031 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccncc2)ccc1Cl 27271076 JSQPPAKPZPEXTL-HSZRJFAPSA-N 499.995 5.233 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 69505122 VPWKWKLQECEPOF-VWLOTQADSA-N 493.654 5.163 30 20 JKED N#CCCCOc1cccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)c1 110421415 GRZPWVYGSIYAFG-UHFFFAOYSA-N 494.378 6.337 30 20 JKED O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(-c3cccs3)n[nH]c2=S)cc1 254739784 ARJQCZAEQUEAPX-UHFFFAOYSA-N 473.543 5.312 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)c1 255563867 UXBQIWNAIQPWBI-JOCHJYFZSA-N 479.005 5.512 30 20 JKED N#Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1OCC(F)(F)F 481854044 QWFUZNVKYMCWNV-UHFFFAOYSA-N 472.320 5.095 30 20 JKED CC(C)[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)S(=O)(=O)C1CCCCC1 482879758 RWFOIVXUKZFAAI-VWLOTQADSA-N 468.619 5.042 30 20 JKED CC(C)c1ccc(OCCNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 483437414 JNDKHRDUDKDCEA-UHFFFAOYSA-N 473.598 5.221 30 20 JKED COc1ccc([C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)c2ccccc2)cc1Br 485442192 SHYWHMRSJQKWFD-QMHKHESXSA-N 465.347 5.002 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccccc2OC2CCCC2)c1 488067130 PKHGEKQUQGIEQR-UHFFFAOYSA-N 485.609 5.540 30 20 JKED C=CCn1c(SCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1 497675051 YLNKSSHOYXBYOQ-UHFFFAOYSA-N 477.903 5.071 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1 499494416 ZPGLPVLEQKGCFQ-CQSZACIVSA-N 462.953 5.374 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)nc2ccccc21 513653513 FPDNPFREXBORNW-SFHVURJKSA-N 491.320 5.217 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 513672663 SWAXMCRBKRJNLW-MRXNPFEDSA-N 474.567 5.080 30 20 JKED COc1ccc([C@@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1Br 515101363 UXKSDLNAWAXKQE-CYBMUJFWSA-N 471.380 5.259 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)nnc1-c1ccc(F)cc1 515423776 WFOFKUZPRUGVOC-HSZRJFAPSA-N 480.609 5.515 30 20 JKED COc1ccc(-c2cc3ncn(CC(=O)Nc4ccccc4S[C@H](C)CC#N)c(=O)c3s2)cc1 517451205 XYKBOYPHJKYVMN-MRXNPFEDSA-N 490.610 5.167 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Br)cc1Br 518668145 WCJXBWFMNMVNLB-STQMWFEESA-N 497.256 5.902 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)c1ccccc1Br 518673277 WUAOGCGTIBDICV-IRXDYDNUSA-N 488.451 5.639 30 20 JKED C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 518833115 YUKRIDPDUCAWMM-HNNXBMFYSA-N 451.866 5.105 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 520190550 YOIOXTFABYXGBO-MWTRTKDXSA-N 481.980 5.718 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)o1 523445177 QBEWPFZXMSUGBM-OAQYLSRUSA-N 498.366 5.670 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 523696795 BTZPZZAKKANUCD-IBGZPJMESA-N 469.545 5.099 30 20 JKED CC(=O)N1CCc2c(sc3nc4c(c(-c5ccc(C)cc5)c23)CN(Cc2ccc(C#N)cc2)CC4)C1 544403413 RIEAVHYTMUFKJV-UHFFFAOYSA-N 492.648 5.606 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 588250173 SFAQLJOXVQGWNH-NRFANRHFSA-N 489.551 5.101 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc(Cc2ccc(F)cc2)s1 589043974 KGXXZSCBSFRUNI-IMRBUKKESA-N 454.411 5.512 30 20 JKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590875167 IZYFEBWGSNZKPJ-VIKVFOODSA-N 494.382 5.596 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl 603766235 NZTDWVHLARGUCS-XMMPIXPASA-N 479.001 5.287 30 20 JKED Cc1nc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)sc1SCC#N 603775431 CSPNHEPBCICMQA-UHFFFAOYSA-N 454.524 5.391 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)nn1-c1ccccc1 603897000 GFHRYDMEDQEYDE-UHFFFAOYSA-N 467.476 5.371 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)c2)cc1 603921460 ZSEZIAIIMQBTCH-OAQYLSRUSA-N 494.517 5.601 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nc2ccccc21 608784973 LXWMDXJTEUWQHG-HSZRJFAPSA-N 452.518 5.484 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(C3CC3)c(Cc3ccc(F)cc3)s2)cc1 608902155 GUEMXVYAIIANAR-UHFFFAOYSA-N 483.590 5.080 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1 608994878 UVRKGRPQXNYFDB-UHFFFAOYSA-N 463.582 5.100 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)o2)cc1 609055604 NNARLXJRWKQDNL-UHFFFAOYSA-N 450.800 5.577 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc2Cl)c1 609062971 NHXGULMOOWIPQB-OAQYLSRUSA-N 491.950 5.421 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1C 609110815 SZALGSFBGPKZLC-UHFFFAOYSA-N 493.542 5.923 30 20 JKED N#C[C@H](C(=O)c1ccn(-c2ccc(F)cc2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344877 SHQOQNPVTGJZAM-MRXNPFEDSA-N 457.317 5.932 30 20 JKED N#C[C@H](C(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 613405333 YOSMZVGWJVFOQG-MRXNPFEDSA-N 452.461 5.868 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c12 618301192 LHWKUMSMMFYQIP-BETUJISGSA-N 475.364 5.540 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc2Br)on1 620847294 LZLUIZRYXUKNEF-SFHVURJKSA-N 462.303 5.363 30 20 JKED N#C[C@H](C(=O)c1ccccc1Oc1cccnc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 623036503 NOXAEXSNWWLMEP-GOSISDBHSA-N 466.349 6.794 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642158387 RDQIUIAMXMEVOC-VXGBXAGGSA-N 454.411 5.897 30 20 JKED CC(C)(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)S(=O)(=O)c1ccc(Br)cc1 726142475 PTRWBJUJVOBFEY-QFIPXVFZSA-N 497.414 5.296 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)c(F)c2)cc1F 726409478 AYIDBAHXFVBFMP-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3c(C)noc3C)C2=O)cc1 726422016 UEGLWNMFLIEOFM-NDKFBNENSA-N 482.631 5.251 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2ccccc2)C1=O 726422076 RZURAYVUQHXLFD-PKWGXKOHSA-N 479.627 5.347 30 20 JKED COc1ccc(N/C(S)=C(C(/O)=C2/N=C(C)C(C(C)=O)=C2C)\[n+]2ccc(C)cc2)cc1Cl 726961472 IGKRSWBXXUOCDK-UHFFFAOYSA-O 471.002 5.262 30 20 JKED C[C@H](NC(=S)NN=C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccc(Cl)cc1Cl 727061778 MEDZHMXSXIPAEP-JHAYDQECSA-N 461.418 5.339 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 728390407 KJEBGASDVCSDLL-ZHRRBRCNSA-N 458.949 5.397 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2ccccc2c1 728426170 RLOWWQUCOQWALM-DEOSSOPVSA-N 486.597 5.098 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 728776805 VDNPMGFPHBMKCE-QHCPKHFHSA-N 492.551 5.772 30 20 JKED N#CCCN(CC1CC1)Cn1c(=S)oc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc21 728904401 AOSXPJPUNAQPHE-UHFFFAOYSA-N 477.011 5.001 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 729141512 AUPXVXYDOCAWJX-IBGZPJMESA-N 485.034 5.574 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ncccc3C)C2=O)cc1 729630968 IGLKZHLLIVHMNU-DEOSSOPVSA-N 486.597 5.062 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 729631032 DGKGBCXTZSFTNV-LOSJGSFVSA-N 498.583 5.654 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(C3CCC3)C2=O)cc1OC 730459965 QOMRLWJRFYQEDR-NRFANRHFSA-N 488.009 5.178 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730461063 KWMOJOJEIFUCAE-GOSISDBHSA-N 483.462 5.496 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cocn2)cc1 730712441 LZMMGVGUVZQXBQ-OAQYLSRUSA-N 466.538 5.098 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)c(C)c1 730713632 UHLXOWMRBGAIFN-FXAWDEMLSA-N 479.631 5.185 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccnc2)ccc1Cl 731017447 QZLFPUBOSNDMMX-INIZCTEOSA-N 490.412 5.261 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2Cl)cc1 731061933 ZRTQSPYDOJFRHF-KRWDZBQOSA-N 497.020 5.391 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2Oc2cccc(F)c2)cc1 731132041 YMHBACZEVURALV-SANMLTNESA-N 479.511 5.528 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCSc1ccc(Br)cc1 731136354 PQCYCESYAUAPOS-FQEVSTJZSA-N 473.436 5.794 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccccc1F)c1cccs1 731311260 AFDSAYVBSSAEKT-ZRGIPMBISA-N 497.617 5.225 30 20 JKED COc1cc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc2c1OCCO2 747155318 WJZWYDCCWDXFHO-DEDYPNTBSA-N 477.944 5.642 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(CC)c3)N(Cc3cscn3)C2=O)cc1 747604169 YPSPWENIBBYQHB-JOCHJYFZSA-N 494.642 5.265 30 20 JKED CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1 751228811 IMYZAYGDXDDKFZ-UHFFFAOYSA-N 455.558 5.222 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CC(F)(F)F 799210450 AFDOVEZQZHTFSA-INIZCTEOSA-N 455.889 5.171 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 838285745 OPTQSCWDZXCOMO-UUOWRZLLSA-N 488.613 5.374 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccc(F)c3)C2=O)cc1 914772960 RVJCIQMXFCFFFJ-HSZRJFAPSA-N 493.535 5.328 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)n2)cc1 915099885 FUWBVWNQGZBVIU-AONZOJHOSA-N 491.638 5.008 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1 915179703 GMYZZIASPAHPGO-FQEVSTJZSA-N 463.331 5.057 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCCCC2)cc1 915779182 XLVSHORFXZQKJS-SANMLTNESA-N 451.570 5.299 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)n2)cc1 916974558 LWRZQMVBLFDCNS-NOZRDPDXSA-N 464.546 6.063 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)Oc3ccc(F)cc3Br)n2)cc1 916975314 XPHKMYCUHFVRIU-CZUORRHYSA-N 459.340 5.664 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@H](C)Sc2ccc(Br)cc2)c1C 917311449 DRBJDYAXFJGJBE-KRWDZBQOSA-N 475.408 5.037 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)CCOc4ccccc4)CC3)n2)cc1 917427780 LEPBUGZJQVIHQB-QHCPKHFHSA-N 473.598 5.003 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCc3c(cnn3-c3ccccc3)C2)c1=S 917452582 UIFQCTTZJSUURZ-UHFFFAOYSA-N 463.010 5.122 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=S)Nc2cccc(Cl)c2C)cs1 917534441 YHRATTJCRWBFRK-UHFFFAOYSA-N 461.975 5.249 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cs1 917534742 ODJGFFKEMAQIBX-UHFFFAOYSA-N 468.995 5.219 30 20 JKED CC(C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1C#N 917707371 ZEZVNOFKTOTPOP-FQEVSTJZSA-N 499.434 5.327 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)c(F)c2)nnc1-c1ccc(Cl)cc1 917783364 AHYZCKKGNOJZCX-UHFFFAOYSA-N 471.989 5.255 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccccc4Br)o3)n2)cc1 920111650 XSCCXTCFCNXZON-SFHVURJKSA-N 492.398 6.345 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc(-c3ccc(C#N)cc3)cs1)O[C@H](C)C2 920140506 HQCWOFUOGZMCBM-SHPDGBAESA-N 455.539 5.294 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OCc1ccccc1 1341869900 WSPMXLPGPSAIII-IBGZPJMESA-N 485.565 5.353 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)C1 1780015660 GNIHPUJNNIRINA-LYZGTLIUSA-N 489.641 5.108 30 20 JKED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCc2ccccc2)C1 1783208030 HMJFKAHUZHXKAB-POURPWNDSA-N 480.693 5.277 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccoc5c4)cc3)CCC2)c1 1788485431 IZSICFJTTGCSNB-UHFFFAOYSA-N 450.498 5.069 30 20 JKED C[C@@H](Nc1nccs1)C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1788619055 GZBFJVPDEDJQDO-LJQANCHMSA-N 482.726 5.129 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cc(C)[nH]c45)cc3)CCC2)c1 1789019138 PMSTYVGNESGLGK-UHFFFAOYSA-N 478.552 5.418 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-c4ccc(F)cc4)cc3F)[C@H]2C1 1790313599 CBSGLXOIHGHHGV-CVJWPJSTSA-N 496.598 5.218 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CCC1 1790741040 YCYWVJRZKNXZBD-UHFFFAOYSA-N 450.542 5.554 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5ccsc5[nH]4)cc3)CCC2)c(C#N)c1 1790877251 SPTRSJCDUXDZJA-UHFFFAOYSA-N 484.581 5.100 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn(C(C)(C)C)c4)CCC3)cc2)c1 1792122977 GAYDITZSXOHOAP-IBGZPJMESA-N 469.589 5.327 30 20 JKED COc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792124448 ZEDABVCZUFDNCW-SFHVURJKSA-N 471.532 5.523 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ncccc5[nH]4)CCC3)cc2)c1 1792127173 RXTTUNIAZJQELF-SFHVURJKSA-N 463.541 5.251 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cc2ccccc2o1)c1ccccc1 1797701375 ULDNYFZOULERHJ-IWCDHCGASA-N 466.581 5.281 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc(F)ccc3s2)c1 1798089099 KYEASHRHIYKGIJ-RWXMBLCBSA-N 461.562 5.233 30 20 JKED Cc1cc(Br)ccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC#C[Si](C)(C)C 1798420964 YCIJLPJDKZAKJD-WKCHPHFGSA-N 489.530 5.060 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1801639706 WBHZVGANMNSNAJ-HAGHYFMRSA-N 452.595 5.104 30 20 JKED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3cccc(Cl)c3)CCCC2)ccc1F 1802187767 PYHYOYVLDOUZAM-BKFWDETESA-N 494.010 5.043 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1803565095 DLIJXVAZYZVIGP-HVNZXBJASA-N 499.655 5.165 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]4CCCC[C@H]42)C3)cc1C#N 1803839494 SJMBWGPANHKNOP-MKUIQDRRSA-N 477.649 5.204 30 20 JKED O=C(C/N=C/c1ccco1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCc1ccccc1 1804259146 GEJUTCCFWNSAKD-MRBGGKFISA-N 477.649 5.310 30 20 JKED CC1(C)CCC(CC(=O)N2CCC3(CCCN(C(=O)CCc4ccc(C#N)cc4)C3)CC2)CC1 1804762561 BVICSYKDJRQQTJ-UHFFFAOYSA-N 463.666 5.329 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C4(c5ccc(F)cc5)CC4)C3)CC2)c1 1806632553 ZBBHIWGTYCGJBM-NRFANRHFSA-N 473.592 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)[C@@H]1c1cccnc1 1810175245 JQCLGGSKGBOTEJ-WYMJOSIYSA-N 471.645 5.368 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1810272895 TVEFFEWPTKPOEL-HTJPCGSQSA-N 479.741 5.275 30 20 JKED N#Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccccc4C4CC4)CC3)C2)c(C(F)(F)F)n1 1810339958 UDJOLCTYOJVCGZ-UHFFFAOYSA-N 496.533 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1810503264 SAYCOYDMDPECCB-KNQAVFIVSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)no2)[C@@H]1c1cccnc1 1810863972 NTQIHTYYRLMGQC-DHLKQENFSA-N 472.589 5.049 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811715776 VNHFLMOPCJEDAD-UZUQRXQVSA-N 497.357 5.033 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811743161 LPISPUGXFPOKMO-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2Cc2ccc(F)cc2)[C@H]1c1cccnc1 1812596013 CBUZWICMXJZSTD-OQTGDVNSSA-N 499.630 5.272 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1813832562 BLYVVBVEYWADAY-XUZZJYLKSA-N 451.998 5.131 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1814742923 CQIKMZHCGBTLGH-NRFANRHFSA-N 489.988 5.030 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2Cl)N(C)C)[nH]n1 1814828287 FIDSQNYQTRUGMY-VWNXMTODSA-N 484.044 5.127 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)n[nH]2)C1 1815533871 RJHGNZIGHARNSG-NDDJGDGRSA-N 458.484 5.100 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1815656848 ISQKOKYGBQTZJS-QGZVFWFLSA-N 486.947 5.307 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(Cl)s3)n[nH]2)c1 1815732561 VMBRQHXOOAQQLN-QRWLVFNGSA-N 482.009 5.300 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)c1Cl 1818118225 QRJRESXECBIEPB-DOJUMQAQSA-N 482.993 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1819306953 JUOZEAAOVJADPY-IFMALSPDSA-N 454.691 5.221 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSC2CCCC2)[nH]n1)c1ccccc1 1819516891 OTJQOFMGXOYCJF-ISKFKSNPSA-N 478.662 5.275 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)[nH]3)n[nH]2)c1 1819636454 ADONNKDAMLZLHB-LIRRHRJNSA-N 484.482 5.003 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)c(Cl)cc2C)n[nH]1 1820179959 ABCMHQUVWFNPGH-IBGZPJMESA-N 491.817 5.243 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3OC(F)F)[nH]n2)c1Cl 1820222632 BPJSGQHPDWRLLC-SFHVURJKSA-N 499.905 5.156 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)[nH]n1)C(F)(F)F 1821992776 JAGGWIFWQWSBHO-CQSZACIVSA-N 461.271 5.141 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CCC3)n[nH]2)c1 1822318174 FRWJAKKLINTWJT-NLFFAJNJSA-N 481.600 5.465 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)[nH]n1 1822384422 CUGLDRNWVIYJCP-VGOFRKELSA-N 480.659 5.326 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C)c2Cl)n[nH]1 1823139236 OHTMQXHLFBXPIQ-LJQANCHMSA-N 479.408 5.314 30 20 JKED C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1824054618 MBBPWERBQLYIBS-NEKDWFFYSA-N 471.645 5.304 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1824537109 BWTDWUQJXARQHD-FGZHOGPDSA-N 462.059 5.009 30 20 JKED CCn1nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c2ccccc21 1827342838 CHHMAHQHKWBRBF-QFQXNSOFSA-N 497.643 5.230 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1)c1cccs1 1827684215 ZCZKLFLRTHVHBT-SHBDEGQCSA-N 489.012 5.213 30 20 JKED Cc1cc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)ccc2[nH]1 1827700457 MLFOJUPOFDKYDX-BTYIYWSLSA-N 483.597 5.100 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)cc1 1828291221 FAXBMTHIJRTWDR-SANMLTNESA-N 489.019 5.169 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360168 FCDSRUSMJMAGBU-VSOVPVGVSA-N 491.676 5.802 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1828608628 OOSASWQCCXXKJW-IBGZPJMESA-N 498.496 5.026 30 20 JKED CCCCCc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=N/N3CCCCC3)CC2)c1 1828915746 TXYWFHMKCICCNY-NOJQWQQXSA-N 494.724 5.053 30 20 JKED CCCCCc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=N/N3CCCCC3)CC2)cc1 1828918477 NMLMYHVVRAYLMM-NOJQWQQXSA-N 494.724 5.053 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2onc3ccccc23)CC1)c1ccccc1 1829034615 APJWGCJYNHZZAK-SHQCIBLASA-N 483.612 5.258 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1829234469 OJXYVUTYFVCJBE-QFIPXVFZSA-N 485.415 5.116 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2OC)CC1)c1ccccc1 1829486390 BFFOWAUKCVQCMO-BJKOFHAPSA-N 478.658 5.187 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1)C(F)(F)F 1829765735 NVRSSZOGICWTLV-NRFANRHFSA-N 494.945 5.082 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1830011990 MZPQOCSJPYGELN-RRPNLBNLSA-N 457.618 5.231 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)CC1 1830590498 JJWDPSOODGMJGN-XMMPIXPASA-N 473.608 5.122 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1 1830725032 XMWXKLYPZVTYNZ-RMTZWNOUSA-N 476.020 5.249 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(C(F)(F)F)coc3C)CC2)c1 1830767926 DSRPYFVYMLHDIB-QFIPXVFZSA-N 487.522 5.334 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](c3ccccc3)N(C)Cc3ccccc3)CC2)C1 1831207826 FDKJZSBCALOAKA-KYJUHHDHSA-N 499.699 5.446 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1831445411 ISXPEUONWZWMSC-LJQANCHMSA-N 498.496 5.026 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1831445881 WZIDGJCGFNDOPY-MKRMIXIUSA-N 462.606 5.432 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1)c1ccc(O)cc1 1831924607 SCEMWVAVQRIDNT-SVEHJYQDSA-N 497.639 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)CC1 1832563179 NEJHKOOQMZBFQL-JWQCQUIFSA-N 450.623 5.013 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)c1Cl 1832564825 KIQJNNMXGQZKIL-HXUWFJFHSA-N 462.421 5.229 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832686928 NFWBBQHWPFUVEU-OAQYLSRUSA-N 489.925 5.176 30 20 JKED C=C1CC(C(=O)N2CC3(CCCN3C(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)C2)C1 1846780426 MLXRIKCTGOHXRN-UHFFFAOYSA-N 470.491 5.281 30 20 JKED N#Cc1ccc(F)c(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)c1 12016280 RNVLGFOBJUWULE-UHFFFAOYSA-N 459.333 6.196 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)[nH]c(=O)c2c1C 14905675 SIAOJNHQVCQYKR-MRXNPFEDSA-N 475.595 5.367 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1Cl 15004558 TWSAOAHYKQILMS-UHFFFAOYSA-N 497.350 5.905 30 20 JKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccccc1 17187147 OAUKDNJPHLNJHH-DEOSSOPVSA-N 469.497 5.104 30 20 JKED CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)s1 21681841 AHWRQEPPSHWMBF-INIZCTEOSA-N 453.593 5.108 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22729385 GPRCRQDCPQCUGX-UHFFFAOYSA-O 461.651 6.338 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccc(Cl)cc1Cl 22731107 RNWKVVGJSONBEF-UHFFFAOYSA-O 489.404 6.111 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nc2sc(C)c(C)c2c1=O 23559757 PRFJHXMDSJLUNW-UHFFFAOYSA-N 496.683 5.499 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nnc1-c1ccoc1C 25349881 UPUSFQKVKFPEAB-UHFFFAOYSA-N 462.522 6.467 30 20 JKED C[C@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)C(=O)N(CCC#N)c1ccc(F)cc1 31696901 FDEULZWVGJTAGH-INIZCTEOSA-N 492.601 5.229 30 20 JKED C=CCN(C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 104955371 ALPZKBNVRLPTAN-UHFFFAOYSA-N 486.424 6.072 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 105864216 IULAQKLNSJAPBZ-UHFFFAOYSA-N 495.604 5.226 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 107808847 FKORAAQBYYRWJZ-UHFFFAOYSA-N 482.531 5.522 30 20 JKED N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 195720721 FOJBZXGOVIKNBO-ZDUSSCGKSA-N 476.385 5.206 30 20 JKED CCN(CC)C(=O)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 476512135 MOMPFQOPYOFACE-JOCHJYFZSA-N 452.986 5.108 30 20 JKED COc1ccccc1N1CCC(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 495180952 CEHHBWHJNZIERP-UHFFFAOYSA-N 470.573 5.131 30 20 JKED C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nc2scc(-c3ccccc3)c2c1=O 501103791 DOSWUOOMBWHASN-UHFFFAOYSA-N 498.589 5.998 30 20 JKED C=CCn1c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nnc1-c1cccc(C)c1 504382452 TYGHTEVXRMXZEN-UHFFFAOYSA-N 489.670 5.548 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1 505651465 YLIOCJIFYINJPW-UHFFFAOYSA-N 471.513 5.042 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(NC(=O)NC2CC2)cc1 506008448 OORIYFDRBMNGEC-LJQANCHMSA-N 483.572 5.498 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 508239534 DNCCIADEKCZJGP-SFHVURJKSA-N 468.517 5.165 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510004978 IKYHPMBVHLXORE-OAQYLSRUSA-N 471.948 5.698 30 20 JKED COc1ccc(OC(F)F)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513993086 XWGHUJCQAYBCLB-UHFFFAOYSA-N 455.436 5.542 30 20 JKED CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C)c1ccc(F)cc1 517180011 PBHULVWOUPSIJS-LLVKDONJSA-N 450.354 5.412 30 20 JKED CCOc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OCc1cccnc1 519126760 NLRJCVIIOSHKDV-UHFFFAOYSA-N 465.509 5.976 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 519950002 VQJGHJHKROMYCN-JOCHJYFZSA-N 476.374 5.095 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccc(NC(=O)c4ccccn4)c3)c2)cc1 520603278 CDIZYAIABMHQSH-UHFFFAOYSA-N 463.497 5.320 30 20 JKED CCc1c(C(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1-c1ccc(Br)cc1 521735036 WWQIKZHLGRORDN-OAHLLOKOSA-N 469.408 5.701 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 521813123 WLKFNNOBJCZCOA-HUUCEWRRSA-N 482.606 5.468 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 522433624 ARTIEKJLSCYDCD-HHHXNRCGSA-N 471.532 5.332 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCC(C)(C)c2cccc(Cl)c2)cc1 523985083 BNWVDMISGRMRQZ-UHFFFAOYSA-N 477.948 5.045 30 20 JKED COc1ccccc1CC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 524004496 PBGAPJRESBZCDK-UHFFFAOYSA-N 469.585 5.827 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1C 524411631 LWGVNXYGEFQSSP-UHFFFAOYSA-N 469.570 5.066 30 20 JKED Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 560144420 MYLOHNAQGXSOJC-UHFFFAOYSA-N 499.958 5.228 30 20 JKED CCN(C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)[C@@H](C)c1ccc(C#N)cc1 603568118 RGQIQXWBACLEHT-IBGZPJMESA-N 476.540 5.230 30 20 JKED Cc1ccc(-n2nc(C)c(NC(=O)CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)c2C)cc1 603818359 CVPDICJWTOCYRK-UHFFFAOYSA-N 483.597 5.544 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603920868 CPXHLNMDJUBBOC-INIZCTEOSA-N 482.367 5.395 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)c1 603972312 LDMKGLDZZBQVCO-UHFFFAOYSA-N 452.308 5.571 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cc2Cl)cc1 604089762 JHEVJJWNMKMOMR-SFHVURJKSA-N 472.932 6.557 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(OC)c1OC 604089800 LIMFEMJIGZIKDP-UHFFFAOYSA-N 467.909 5.351 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cc2Cl)cc1 604163100 BWEFKSCRWVRTIO-FQEVSTJZSA-N 495.988 5.212 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)cn2)c1 608841488 QSBFTJQENKEMSH-IBGZPJMESA-N 484.491 5.346 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1C 608875163 KVBJVAFDVSHPPY-OAQYLSRUSA-N 450.995 5.701 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nncn3CCc3ccccn3)c2C#N)C1 609026433 WUVNSPWBSUVVDO-KRWDZBQOSA-N 494.690 5.121 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N[C@H](Cc3ccc(O)cc3)c3nc4ccccc4[nH]3)o2)cc1 609058434 RYTWKRYFOALNLN-RUZDIDTESA-N 478.508 5.026 30 20 JKED CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609085668 CJEKCISQXIBHCP-GOSISDBHSA-N 491.975 5.394 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3OCc3ccncc3)cc2F)c1 609109993 DDGLPTIGQPACRC-UHFFFAOYSA-N 453.473 5.503 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 609435319 GCPDKSLAJMXFHI-NSYGIPOTSA-N 493.654 6.339 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1[C@@H]1COc2ccccc2O1 612653227 XUQQNPJZRBUOET-VGSWGCGISA-N 492.601 5.079 30 20 JKED C=CCn1c(SCc2ccn(C)c(=O)c2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 613832360 PRHPZYAEYPWSFP-UHFFFAOYSA-N 479.609 5.646 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)nnc1-c1ccc(F)cc1 613938873 UMMBXLHWYGJYJK-UHFFFAOYSA-N 456.562 5.329 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)s2)cc1 616990136 OXTHSNNGTQIXBB-UHFFFAOYSA-N 474.542 5.324 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc12 618295579 UHFZYGKLQIOHCC-RYUDHWBXSA-N 479.421 5.737 30 20 JKED C=CCn1c(SCC(=O)NCCc2cccc3cccnc23)nnc1-c1ccc(Cl)cc1Cl 643635980 VJMKWHXDZDHTPR-UHFFFAOYSA-N 498.439 5.437 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(C)c([N+](=O)[O-])c1 726571386 GDMGYACHJXEVOT-UHFFFAOYSA-O 479.969 5.602 30 20 JKED COc1cc(C(=O)N(CCC#N)c2ccc(C)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 726941993 NQKFOBDVCJSNEB-UHFFFAOYSA-N 465.893 5.918 30 20 JKED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 727143299 WMTVVPIZNBNXCF-IBGZPJMESA-N 475.998 5.589 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1ccc(SC(F)F)cc1 727979101 USWQXISRGTZHQI-UHFFFAOYSA-N 455.555 6.569 30 20 JKED COc1cc(C2SCCS2)ccc1OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 727987686 WLBHXHWLTJSQDH-UHFFFAOYSA-N 453.541 5.437 30 20 JKED CCOc1cc(/C=C(/C(=O)C(=O)O)c2ccc3ccccc3n2)cc(Br)c1OC(F)F 728156374 HKAHHGMHJDYVCJ-NTEUORMPSA-N 492.272 5.192 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2F)c1 728186530 JIDSNCJNYHOWOD-FMIVXFBMSA-N 483.543 5.167 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1 728505669 PQIIAZOIEZJKMQ-INIZCTEOSA-N 463.303 5.184 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)cc1 729145403 KVNLVERPEOWEBC-QFIPXVFZSA-N 492.670 5.791 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1scnc1C 729145968 NQEUOYVBCSRTLG-FQEVSTJZSA-N 482.606 5.314 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 729668285 GARHWKVVGNWXIJ-UHFFFAOYSA-O 486.013 5.664 30 20 JKED COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 730437558 SDIWKCMDEIKHST-CSKARUKUSA-N 483.486 6.244 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(C3CCC3)C2=O)c(OC)c1 730459707 MCUNBEZZNVYVAP-NRFANRHFSA-N 488.009 5.178 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ccco3)C2=O)cc1 730532735 HUOIMFWGPGTZAL-QFIPXVFZSA-N 479.533 5.090 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c(C)c1 730712489 LHBKZQUZHNJFOI-HXUWFJFHSA-N 486.956 5.244 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3cocn3)C2=O)cc1 730729609 NYYMOGPPTNDCQO-DIUXXVEUSA-N 498.630 5.115 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 730943873 LUVSWKFPXGIZSR-BTYIYWSLSA-N 482.968 5.596 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1F 730945573 URWKXWKORFEGMB-LHSJRXKWSA-N 484.503 5.220 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/Cc3ccc(C)cc3C2=O)cc1OC 730948569 HYZUNLZNWLEOKS-ODLFYWEKSA-N 477.944 5.506 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)sc1-c1ccc(F)cc1 731077775 OVWKZXFYFAMCHW-MRXNPFEDSA-N 468.575 6.052 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731116901 KCFUVIWVWHNRPN-MXSMSXNCSA-N 470.429 5.190 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 747398657 AAVPOYQEXFZCRQ-DFHRPNOPSA-N 499.567 5.016 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 751143055 REDKROBUPPGFKB-UHFFFAOYSA-N 473.529 5.636 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1ccc2ccccc2c1 799212277 SMGHBOLZYXXBTO-LJQANCHMSA-N 475.467 5.502 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Br)c1 799224345 SCIUZEUNPRMTGO-GOSISDBHSA-N 460.397 5.046 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@H](C)c3cccnc3)C2=O)c1 837403740 BAPSDONSMUPMKP-DVECYGJZSA-N 488.613 5.429 30 20 JKED CCCCOc1ccc(C=NOCC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1OC 839303178 PORSOUGDVQZQOF-UHFFFAOYSA-N 463.578 5.112 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)NCc1cccs1 912837850 WIZFTRKEXUKOJQ-UHFFFAOYSA-O 480.679 5.396 30 20 JKED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)c1ccc(-c2ccccc2Cl)s1 915114029 ZQJNMKBYJFMZBG-UZYOAWRESA-N 481.426 5.483 30 20 JKED CCOC(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 915649628 BGNQIPSDXMQKEQ-UHFFFAOYSA-N 474.464 5.445 30 20 JKED FC(F)Oc1ccc(Cl)cc1C=Nn1c(S)nnc1-c1ccccc1Br 915950212 CQFBIQJQSSIQNF-UHFFFAOYSA-N 459.703 5.133 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916135377 VIPGBZCZVJITPW-SDQBBNPISA-N 489.877 6.281 30 20 JKED CCOc1cc(/C=C(/C(=O)Nc2cccc(OC)c2)C(=O)c2ccccc2)cc(Cl)c1O 916156175 KZAAWTJWEJFZOT-UDWIEESQSA-N 451.906 5.358 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2ccco2)C1=O 916207001 WKBBFEWAMZIREQ-OAQYLSRUSA-N 483.977 5.411 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(C3CCCC3)C2=O)c(OC)c1 916210264 YZOXZITXJFYMTN-NRFANRHFSA-N 488.009 5.260 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2SCc2ccccc2)c1)c1ccc(Cl)cc1 916368841 QUKVQRZWLFNTSI-UHFFFAOYSA-N 480.018 5.647 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c3c2CCC3)cc1 916906514 CUAZXVKOJHKXCV-QHCPKHFHSA-N 476.536 5.423 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 916906866 KJDMBBMWJJSMDP-VWLOTQADSA-N 492.579 5.634 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccccc1Oc1ccccc1 916910460 SXWRMYGCASLIEC-HXUWFJFHSA-N 487.462 5.692 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944815 NUDNIXOPOKUQEY-MRXNPFEDSA-N 464.761 5.660 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1 916948646 IRYDPRHJGOLXQC-VFNWGFHPSA-N 465.351 5.109 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976099 JEUNLYXOEZEVMM-IAQYHMDHSA-N 478.788 5.765 30 20 JKED N#C[C@H](C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997140 RQTSXDVLQGPDCC-SKSLQVBQSA-N 495.457 5.019 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997252 UKHKSQZWKFJYRB-NHYWBVRUSA-N 492.334 5.624 30 20 JKED Cc1cccc(-c2nnc(S)n2CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 917343706 BZMOLSFCXQXGFG-UHFFFAOYSA-N 483.597 5.216 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1 917426715 NGFZDCKJKFBYFC-KRWDZBQOSA-N 485.924 5.071 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 917669527 RSPJOQAMHHXGKJ-FUWNPBJGSA-N 499.614 6.461 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cccc(C)n3)C2=O)c1 917673883 JMXGPKSNMLAARR-XMMPIXPASA-N 488.613 5.176 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2[N+](=O)[O-])cc1 917682499 JOAYMMXZKXOWTD-JOCHJYFZSA-N 492.532 5.203 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2ccsc2)C1=O 917686994 KBUWLMBWPQCOTH-OAQYLSRUSA-N 483.590 5.365 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1ccccn1 920110256 NKHZOYUNMKIINI-CJNGLKHVSA-N 498.326 5.431 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2c(C)noc2C)C1=O 920353251 FETVHXJVRHAZLN-HSZRJFAPSA-N 492.601 5.077 30 20 JKED Cc1nc(-c2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2)co1 920445823 IJCOHJUYFGYSCK-UHFFFAOYSA-N 468.538 5.505 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920807013 VQQFMWZLVLAFST-BLLLJJGKSA-N 457.527 5.404 30 20 JKED C[C@H](OC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C#N 920913044 SCSCJTFYLUZAQI-ZDUSSCGKSA-N 456.285 5.236 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)sc1Cl)C2 1779513779 UPRPZFUFLWFNBA-OPAMFIHVSA-N 473.466 5.175 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(OC)c4)CCC3)cc2)C1 1785810287 LSNDIBLYCKJUSK-UHFFFAOYSA-N 469.379 5.172 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)CCOc4ccccc4)CCC3)cc2)c1 1786041462 VKNQAVCCIAVSLD-UHFFFAOYSA-N 467.569 5.094 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786076063 CLETZTFLWXAAPE-NFBKMPQASA-N 481.637 5.336 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4OCCc5ccccc54)cc3)CCC2)c1 1786314394 NKWYIJXWJFGNEH-PIKZIKFNSA-N 493.607 5.765 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1 1786368554 ISCIXXVXUOJGCU-UHFFFAOYSA-N 478.486 5.575 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3C(F)(F)F)CCC2)cc1 1786369641 XFDJEHTYGQKLEF-INIZCTEOSA-N 478.486 5.112 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(OC)c3)CCC2)cc1 1786371877 PRSSOKNLSKMDID-FQEVSTJZSA-N 485.584 5.096 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1 1786394686 FNTUVZMOCFPNPM-VWLOTQADSA-N 487.625 5.263 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1786678863 DGLQKLDTIUXCLI-UHFFFAOYSA-N 453.995 5.488 30 20 JKED Cc1ncc(Br)cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1787046797 DBSZGGUWPIHCTM-UHFFFAOYSA-N 489.373 5.086 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3cccc(O)c3)cc2)CCC1 1788150425 XNXWDAFJLLJGJK-QHCPKHFHSA-N 493.604 5.058 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C)nn3CC)cc2)CCC1)c1ccccc1 1788424664 ZFGVXLSNXHCCGV-VWLOTQADSA-N 468.601 5.156 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cn(-c4cnn(C)c4)c4ccccc34)cc2)CCC1 1788688400 ZMOPXYYUXSUHHV-UHFFFAOYSA-N 493.611 5.305 30 20 JKED Cc1nc(Br)sc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1788871423 LCIRIKPIMNAYMI-UHFFFAOYSA-N 495.402 5.147 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)cc2)CCC1 1789192049 SULKDYRLOPGSCX-TUACAJSNSA-N 464.654 5.009 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5cccc(Br)c5[nH]4)cc3)CCC2)CCC1 1789328740 CIAKXIBSLFNMTA-UHFFFAOYSA-N 491.389 5.372 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)CCC2)cc1 1789457843 BSHXTLPWGAYKJW-APWZRJJASA-N 486.538 5.046 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)c(Cl)c4)cc3)CCC2)c1 1789739286 BIVPHYWIAJVAHG-UHFFFAOYSA-N 495.366 5.330 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnoc4C4CC4)CCC3)cc2)c1Cl 1790081639 IAFMYGHGJFFGOR-UHFFFAOYSA-N 460.921 5.139 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)CCC3)cc2)cc1 1790288576 OQJVLMUZMAPCCX-RZDMPUFOSA-N 490.607 5.684 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCc4ccc(F)cc4)CCC3)cc2)c(C#N)c1 1790474975 RRGDVDCCXRUTER-UHFFFAOYSA-N 485.559 5.015 30 20 JKED CCc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790768026 XMZAKDNUVJLRRJ-UHFFFAOYSA-N 462.937 5.132 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4cccc(Br)c4n3)cc2)CCC1 1790862048 GPPFQIPLRAWQIN-UHFFFAOYSA-N 477.362 5.049 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C)CCC2)cc1 1791248680 CSDLVZXTUIYUGX-QTEQDKRBSA-N 483.653 5.368 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4c3cnn4C)CCC2)cc1 1791249401 SJZRGNPLHSNHJB-INIZCTEOSA-N 495.421 5.296 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791252547 VHJITMDDYLPVAV-LEWJYISDSA-N 483.653 5.370 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)CCC2)cc1 1791589132 JJXCHYQTPWJRIL-UHFFFAOYSA-N 483.593 5.727 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn(C)nc4C(F)(F)F)CCC3)cc2)c1 1792125383 XVXGGCCKJSRRPF-MRXNPFEDSA-N 495.505 5.127 30 20 JKED Cc1ccc2c(/C=C/C(=O)NC3(c4ccc(NC(=O)C5(C#N)CCC5)cc4)CCC3)c[nH]c2c1 1792234491 ZUWIPQTUVNLPNO-VZUCSPMQSA-N 452.558 5.318 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4nc3Cl)CCC2)cc1 1792265210 BTJPNHDMNWXKBR-UHFFFAOYSA-N 467.903 5.328 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(C(F)(F)F)c1 1800465637 JSCFQUDGPXQDIC-MHORFTMASA-N 454.920 5.379 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc2ccc(Br)cc12 1800878711 WIRPTXDZSZKKHH-REPLKXPHSA-N 484.438 5.242 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(Br)cc2c1 1800931314 GQXFRHHOHKXRCO-WKCHPHFGSA-N 484.438 5.242 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc(CC)cc1)C2 1801639886 WIRVABWVOVOMQI-HKNOCEQDSA-N 497.680 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1802376451 NGFODGWGGPVGNJ-NIRIFSCTSA-N 477.008 5.304 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)Cc3cccc(CCCCC)c3)[C@H]2c2cccnc2)C1 1802415284 FLSKPNWIOABDLZ-LSYYVWMOSA-N 459.634 5.029 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(Br)s2)c1 1802902406 YQDJIEDHMLNRGY-DGFADGJKSA-N 498.446 5.103 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1803084614 UEUZDMLAAQBMRA-BWKNWUBXSA-N 477.008 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808545847 HFBPVNLRNFBCBI-LBNVMWSVSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810452866 KGYOHXQJNYYYPB-WUFINQPMSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1810501721 COTIVLCRJAHCDC-FYYLOGMGSA-N 498.465 5.465 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810604448 QNKCTIKRQAOJGQ-IXFSTUDKSA-N 473.951 5.101 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC4(CCN(C(=O)c5ccc(CC#N)cc5)CC4)C3)c2O1 1810717397 HKUQZMLBEVFMFY-UHFFFAOYSA-N 485.628 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1811695428 QJDCBVMXSVTSGH-PGRDOPGGSA-N 488.415 5.182 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nscc23)[C@H]1c1cccnc1 1812211756 INGWHQQCKADYCI-WMZHIEFXSA-N 462.619 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1813833476 NLLXHLRZVGGAKM-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)[nH]n1 1814826851 IRFIKWCEPFXRLS-NBGIEHNGSA-N 475.637 5.235 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1 1817588828 AGXMHMSVLXHLAM-RDPSFJRHSA-N 459.594 5.284 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818164173 YYDKNJAPKGVKMK-GCJKJVERSA-N 487.025 5.583 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)n[nH]2)cc1 1818931291 NIXGKXDYJPLZRG-FDHFVPJWSA-N 473.621 5.388 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c(C)c1 1820221217 QLLRZTDIYFVBQY-NRFANRHFSA-N 491.979 5.180 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c(Cl)c1 1821279484 COFCXNRIBCIRQI-WHEACTPUSA-N 465.985 5.067 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)CC1 1823216497 KNNCJQZMCRZUES-AZXNSQLWSA-N 461.610 5.559 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ncc[nH]3)cc2)n[nH]1 1823267895 PHBKGOAUOOBZSG-NRFANRHFSA-N 460.582 5.098 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)cc1 1823674122 JOBBJZQELKGYDP-QFIPXVFZSA-N 485.415 5.002 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1C 1823685438 XGCDRRKJRQBFAQ-MHZLTWQESA-N 487.644 5.050 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1823752956 RRTZRIIZZCRECL-XMMPIXPASA-N 483.056 5.509 30 20 JKED O=C(c1cc2sccc2[nH]1)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056779 IDRSGTSTZYZIEO-HSZRJFAPSA-N 480.033 5.168 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1 1824540603 LNOFSRHSHLPDRA-JQOSAHAQSA-N 460.709 5.175 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1824959421 ZCJBFHPCIMACNG-LJQANCHMSA-N 477.095 5.707 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c2c1 1825099142 NSWGFOUOQGJMEL-NDEPHWFRSA-N 482.628 5.018 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)c1 1827330010 OKBJRUOXJNBOCS-KHCQRQCYSA-N 498.627 5.002 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)CC1 1827904652 RZSPXRKJWIGCBI-UYAOXDASSA-N 461.672 5.080 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828155944 MOODSFRYQKMNKK-IBGZPJMESA-N 464.553 5.485 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)C1 1828503252 UOHCMRCEGHGTIT-HSZRJFAPSA-N 484.438 5.130 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828514518 HAGZRLZATGFYRN-DHLKQENFSA-N 451.586 5.309 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1 1828827001 QGJLKIMAINAEMP-TZIWHRDSSA-N 463.544 5.102 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CNc3ccccc32)CC1)c1ccccc1 1829032207 GFNHHRWFNVVYPZ-MDZVADFISA-N 483.656 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(-c3cccnc3)n2)CC1 1829066639 OQMKRPPNTCMBSB-QHCPKHFHSA-N 480.678 5.431 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)c1 1829679531 SQPAWXWUAKXCOD-GBQNYCKYSA-N 491.676 5.407 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c(C)c1 1829689992 XQISTANISYOMAO-XMMPIXPASA-N 480.008 5.076 30 20 JKED C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1830405432 DYEUYCOVWGXWGF-ZEQKJWHPSA-N 482.741 5.125 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)cc2c1 1830628927 PAWMMOTYHJKNOU-MHZLTWQESA-N 468.601 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1830637857 XECCSMCLCFGVRF-ZBLYBZFDSA-N 496.611 5.516 30 20 JKED Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)c1 1830801984 CFPCAIOMZKDZBX-HSZRJFAPSA-N 496.652 5.125 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)CC1 1830926314 KHRCLHTWVPEXCO-HXUWFJFHSA-N 492.845 5.393 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nscc23)CC1 1830970710 DRYDYKVSBHMKTO-HSZRJFAPSA-N 453.652 5.522 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2Br)CC1 1831374870 UUOKQKYCMMTGQM-KXBFYZLASA-N 483.397 5.173 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C(C)C)cc3)CC2)c1 1831599530 SGAGZSUWELSDEI-NDEPHWFRSA-N 487.644 5.166 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1831852624 WJFLUNCADZIPKH-QHCPKHFHSA-N 459.030 5.164 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)CC2)c1Cl 1832981068 SOJKVBSQRQPRSF-CJFMBICVSA-N 475.967 5.191 30 20 JKED C=CCC(=O)N1CC2(CCCN2C(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3Cl)c2)C1 1845542832 PPDYWDLWVWKLCP-UHFFFAOYSA-N 478.898 5.544 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1 1847618961 FQMJRRATHQWENQ-PEWUCJFQSA-N 476.020 5.310 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(CO)c2)c1 10172402 DQOFECRYGFDENM-UHFFFAOYSA-O 483.613 5.926 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1OC 10993393 QHLTXQIVCIKOSF-UXBLZVDNSA-N 467.522 5.133 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(Cl)c2C)cc1 11257084 CKOZTDRJKWJFHU-UHFFFAOYSA-O 469.030 5.697 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(CO)c2)cc1F 14872488 JIZZMLNXBSJXAK-UHFFFAOYSA-O 451.587 5.262 30 20 JKED CC(C)c1ccccc1-n1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1cccnc1 15183980 LQVFKPCWSUKYJD-IBGZPJMESA-N 474.634 5.276 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccs2)nc2cc(-c3ccccc3)sc2c1=O 21494586 XIHZKTXYTPMDQL-UHFFFAOYSA-N 467.641 5.123 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1cccc(C)c1C 22729278 GIEFZMFKLGKIJV-UHFFFAOYSA-O 468.440 5.967 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1CCc1ccccc1 23473309 NPKMMOHSXQFJCB-IBGZPJMESA-N 483.597 5.187 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CC)c2ccccc2)nnc1-c1ccc(Br)cc1 23538728 SGEZPFKOMIFCSX-INIZCTEOSA-N 471.424 5.427 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2cc(-c3ccccc3)sc2c1=O 24268033 OSMGSHZKVAVNTM-HNNXBMFYSA-N 472.595 5.401 30 20 JKED COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 29150287 ZBSATFNITWWLOV-UHFFFAOYSA-N 483.977 5.203 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1 32697748 FWKPHIXXNQGMJQ-SFHVURJKSA-N 487.585 5.039 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1)c1ccccc1 110938042 PAULCIDPLRDHNN-UHFFFAOYSA-N 473.483 5.174 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nc2ccccc2c1=O 115015609 JWLSAYIUWOKKNG-UHFFFAOYSA-N 483.018 5.669 30 20 JKED C=C(Br)CSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 213822980 RZKPYYQQNYKKSY-OQLLNIDSSA-N 469.813 5.796 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 302931794 FTXTXEFVTVFMGG-UHFFFAOYSA-N 462.406 5.339 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)nc2ccccc21 303095256 FLDPUTCZQVSOHR-AREMUKBSSA-N 465.557 6.398 30 20 JKED N#C[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccc(Cl)c1Cl 303295608 BRXCFYDYLYLUST-FQEVSTJZSA-N 465.340 5.303 30 20 JKED C=CCn1c(SCC(=O)N2CCO[C@H](c3ccccc3)C2)nnc1-c1ccc(Cl)cc1Cl 479470327 IVGRUVZHHUAUIX-FQEVSTJZSA-N 489.428 5.130 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)cc1 499773218 IJSYYUZHPWQUFZ-UHFFFAOYSA-N 464.572 5.053 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1 500118057 BVVGIQMCCAFPGU-QGZVFWFLSA-N 462.359 5.092 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)CC2)c1 502659972 GSSRUQPLWWYJDQ-UHFFFAOYSA-N 481.581 5.718 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCCOc2ccc(Cl)cc2)cc1C 502871270 XJWAXYUAQGNIJG-UHFFFAOYSA-N 450.970 5.323 30 20 JKED CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 504880841 DUPYSQQKBNHBTE-UHFFFAOYSA-N 471.561 5.183 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2SCc2nc(C)no2)cc1 508451218 QRJUVACBFKQYNX-UHFFFAOYSA-N 472.526 5.595 30 20 JKED CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1 509576996 JHMIMOOXAHQTSY-LJQANCHMSA-N 493.894 5.069 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3csnn3)cc2)nnc1-c1ccc(Cl)cc1 512638557 MZJHWIGVGUKOLI-UHFFFAOYSA-N 468.995 5.034 30 20 JKED C[C@H](Sc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1)C(=O)N(C)CCC#N 513281360 OFQGKVVYUKNUGG-SFHVURJKSA-N 488.638 5.026 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c12 513655465 RERZFKCQSSFUMQ-SFHVURJKSA-N 494.580 5.023 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)nc3ccc(Br)cc23)cc1 513763768 CRNNMDPHDIZMIA-UHFFFAOYSA-N 464.363 5.372 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)c(C)c1Br 515539008 DGWVEEWHYVNWLB-MRXNPFEDSA-N 484.304 5.487 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 515738535 JSFOGNSWDKUHCY-HSZRJFAPSA-N 454.357 5.421 30 20 JKED CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 516836829 ACJQGJNSRKSQAI-HXUWFJFHSA-N 470.573 5.119 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 517891482 MZSGXEAVFFYAPK-QGZVFWFLSA-N 466.975 5.693 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)n2)cc1 519248867 KTQGZLYRTVSVDJ-QFIPXVFZSA-N 464.506 5.063 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 519874244 PYKIGRUMNGANGQ-UHFFFAOYSA-N 483.572 5.252 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(Cl)ccc2I)cc1 520889520 KXGPAPNDWRMYAV-KRWDZBQOSA-N 452.723 5.237 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1S[C@@H](C)CC#N)O[C@@H](C)C2 520941026 BOJVMWPHZFPCRY-STHPQGGCSA-N 451.592 5.481 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 521059760 IAAUMCBCNFQAMI-UHFFFAOYSA-N 456.373 5.466 30 20 JKED CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1 521329860 QZQTVHOFNYHFTC-GOSISDBHSA-N 495.626 5.533 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 521715061 UTESNTWIXXJFDZ-UHFFFAOYSA-N 459.528 5.098 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)nnc1-c1cccc(C)c1 554152102 WKAFERCHFMJCIE-IBGZPJMESA-N 477.634 5.041 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3cccc(Cl)c3F)s2)c(C(F)(F)F)c1 570415758 GQAPOEPQQDCXAW-UHFFFAOYSA-N 475.876 5.218 30 20 JKED O=C(Nc1cccc(F)c1)C1CCN(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 586792231 WHQVETPDFVBHNC-HALDLXJZSA-N 483.428 5.095 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589044665 RYEHBZZPSFRXEM-HBNTYKKESA-N 451.329 5.498 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)c(C#N)c(C)c1C 603761402 GCUVXBLGQZPBEP-UHFFFAOYSA-N 488.491 5.473 30 20 JKED N#C[C@H](C(=O)c1ccc(I)c(Br)c1)c1ccc2ccccc2n1 603835681 HKEOKFSLEIIILP-ZDUSSCGKSA-N 477.099 5.092 30 20 JKED N#Cc1cc(S(=O)(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)ccc1Cl 604024247 VGVMNASDEIRRFP-UHFFFAOYSA-N 457.886 5.079 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604156377 YTOVJHHRLZRYGF-NRFANRHFSA-N 485.893 5.611 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2Cl)cc1 604288650 LNJPYBAMJURHAT-KBPBESRZSA-N 491.819 6.599 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1 604562211 PIAACYCSDZBQPU-AMGIVPHBSA-N 471.557 5.991 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 608891986 WOCUKNQNDFIDCX-UHFFFAOYSA-N 480.543 6.470 30 20 JKED N#Cc1cccc(S(=O)(=O)Nc2nc3nc(-c4ccccc4)cc(C(F)(F)F)c3s2)c1 608929156 KYVFABSQMMPQRT-UHFFFAOYSA-N 460.462 5.050 30 20 JKED N#CCn1c(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc2ccccc21 609216988 ZDBLKBGOFJYCLK-UHFFFAOYSA-N 462.431 5.688 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCc2ccc(C#N)cc2F)s1 609231554 DGGOOXXPARSACC-UHFFFAOYSA-N 472.545 5.432 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc12 613290589 HRGAENOIPRTPKD-LJQANCHMSA-N 456.958 6.146 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)nnc1-c1ccoc1C 613908624 WIRYGHDXVMNEKC-DEOSSOPVSA-N 470.598 5.299 30 20 JKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643049739 PJIIOGRHZPFWKP-MBTKJCJQSA-N 484.746 5.323 30 20 JKED CC(=O)Nc1ccc(-c2csc(=Nc3ccc(C#N)c(Cl)c3)n2[C@@H](C)CN2CCCC2=O)cc1 726391764 UQMFVTIIDZSRPK-INIZCTEOSA-N 494.020 5.116 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@@H](C)OC)cc1 726394117 SQULSZHPPRWRSO-VFNWGFHPSA-N 490.025 5.042 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@@H](C)c1cccs1 726421848 QECUTUAMOCQAQQ-OJMJRNKJSA-N 499.580 5.193 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([C@@H](C)OC)c2)c1 726930726 UJFVCNRBHCVHSK-GOSISDBHSA-N 485.005 5.681 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c(F)cccc1F 727627423 FWHQEHZYKNFVOW-WBMJQRKESA-N 467.419 5.037 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 728422340 AHQQEGYNBZNGGT-DVECYGJZSA-N 483.597 5.292 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C)n1-c1cccc(F)c1 728705518 XMXMWZRZIPFHNK-UHFFFAOYSA-N 478.321 5.065 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1F 728777339 GGJMWRFRHTUMJC-FQEVSTJZSA-N 488.972 5.142 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCCCC#N)C2=O)cc1 728777954 ARVHRKUZFAMRQZ-DEOSSOPVSA-N 490.629 5.228 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1-c1c(Cl)cccc1Cl 729070559 XGBXFEBDWTVTEP-LBPRGKRZSA-N 494.741 5.451 30 20 JKED CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 729564745 IOBGLNVDROGPNE-HXUWFJFHSA-N 450.539 5.214 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2c(C)noc2C)cc1 730444323 MGFIXGDNONVMDH-DEOSSOPVSA-N 490.629 5.420 30 20 JKED C[C@H](Oc1cccc(Cl)c1Cl)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731068803 ITEAMRYBUQIXNE-KGLIPLIRSA-N 467.374 5.194 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)s1 731308086 WQBQNRRKJUSVSL-FQEVSTJZSA-N 469.563 5.062 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N([C@@H](C)c2ccccn2)C1=O 743525696 SAEDDPFOOCDYPS-GAJHUEQPSA-N 492.576 5.259 30 20 JKED COc1cccc(C=Nc2cc(NC(=O)c3ccccc3I)ccc2F)c1O 746682068 PLFDKQUNAFBDGA-UHFFFAOYSA-N 490.272 5.147 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C)c1C 746696437 NJXYCOCCRKWIEX-JOCHJYFZSA-N 489.588 5.359 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 746696881 WVUSOCVKCZLEJB-LJQANCHMSA-N 495.979 5.394 30 20 JKED O=C1/C(=C\c2ccc(-n3cccn3)cc2)CN(Cc2ccccn2)C/C1=C/c1ccc(-n2cccn2)cc1 747316744 BIQRVSAXVISSJY-ULLHUXCLSA-N 498.590 5.005 30 20 JKED CCCc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)nn1-c1ccccc1Cl 749048735 NSSCLWSWEXYNPJ-LPHOPBHVSA-N 463.969 5.348 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)c2cc3ccccc3o2)nnc1-c1ccc(Cl)cc1 765148349 SCBFXHIXMVKRML-UHFFFAOYSA-N 467.934 5.049 30 20 JKED COc1ccc(-c2nc(SCC(=O)N(c3ccccc3)C3CCCCC3)nc(O)c2C#N)cc1 824953826 MCJPVJBPNZPSIF-UHFFFAOYSA-N 474.586 5.187 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N([C@@H](C)CCc2ccco2)C1=O 837831760 IBOPRRBGEYITQC-YADARESESA-N 491.613 5.578 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)cc1 837877647 WJTHVTRYKISXDV-HYBUGGRVSA-N 472.614 5.728 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)/C=C\c3ccc4ccc(Cl)cc4n3)s2)cc1 912895921 ZJBQOQZBZIJIEB-KTKRTIGZSA-N 463.975 5.556 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(COc3ccccc3)cs2)nnc1-c1ccc(Cl)cc1 914440207 TYOHASOIHGHSNJ-UHFFFAOYSA-N 498.033 5.551 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)c2nc(C(C)C)no2)c1 914881000 YIDKHUVMVKPQJB-MRXNPFEDSA-N 489.981 5.146 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c2ccccc21 914916004 LNSBNGWLOCWQPR-UHFFFAOYSA-N 466.541 5.185 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 915353426 NHJCZHDQQPGAOD-AREMUKBSSA-N 458.993 5.735 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccccc2Cl)cc1OC 916135369 UZQPQPJLTJTZEJ-XFFZJAGNSA-N 486.351 5.924 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 916209992 XQGZURXAWSOAPQ-NRFANRHFSA-N 474.026 5.344 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCc3ccccn3)C2=O)c1 916210281 ZIJZIJBXGREVPP-QHCPKHFHSA-N 493.032 5.555 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2OC)ccc1OCc1ccc(Cl)cc1 916277430 HFQFWQNNGXDBLK-UHFFFAOYSA-N 480.977 5.366 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 916889857 IYPMZLAFGIFJIA-KEGWNNHHSA-N 456.342 5.094 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916902849 KIMNPUCIKLWOKU-SFHVURJKSA-N 492.919 5.139 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 916902927 LXHTWJOSZOJKEZ-IBGZPJMESA-N 452.869 5.550 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccc(F)cc2)s1 916904422 CLZIUXISJOJJMH-HXUWFJFHSA-N 456.498 6.308 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 916924830 GKVRKEQLLFECME-FWFZHJKVSA-N 450.947 5.828 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1 916950255 SMUGSTJQJZMYEV-HXOBKFHXSA-N 496.007 5.062 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc(Br)c1OC(F)F 917146194 UOIVQOGNVKTWFV-RUDMXATFSA-N 483.309 5.485 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNc2nc(C(F)(F)F)nc3ccccc23)cs1 917215433 QXWGVTNNYPDKSM-UHFFFAOYSA-N 456.453 5.236 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2)cs1 917563264 OCHFZTUFNKZLEX-SFQUDFHCSA-N 468.578 6.611 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H]1CCN2CCC[C@H]2C1 917659067 VXYAUUGLPCYBHT-MIZPHKNDSA-N 494.636 5.030 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1 917664020 ARFGBHVCELXFNR-QHCPKHFHSA-N 454.555 5.027 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917669679 CUIXJLAFEOCKJG-ARNLJNQMSA-N 490.673 5.199 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2)cc1 917678996 ADGMVWAXUVKAIE-JOCHJYFZSA-N 492.963 5.511 30 20 JKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccc(Cl)c(C#N)c1 917863828 SNLZWQGIYKMKLG-UHFFFAOYSA-N 492.940 5.393 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918545352 OZXFUTMXNFGRBR-BDXFJIPASA-N 482.606 5.251 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1OC 918607402 NUIJZCREDGOWQX-UITAMQMPSA-N 452.938 5.474 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Br)cc2Cl)n(C2CCCC2)c1C 919496261 LUZXCQUCXCMUIR-UHFFFAOYSA-N 478.774 5.303 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3oc(C(=O)O)c(C)c3C2=O)cs1 920068153 KKLYHUYLOWQEHX-UKTHLTGXSA-N 456.907 5.293 30 20 JKED N#C[C@H](C(=O)CCSc1ccc(Br)cc1)C(=O)Nc1ccc(SC(F)F)cc1 920108080 MRTZAAWNQDPCIY-MRXNPFEDSA-N 485.375 5.594 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 920143895 UJGKQJICEWAUOY-NQIIRXRSSA-N 479.989 5.201 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ccc(Br)cc3)n2)cc1 920145048 ZWNODMHIHJDFSA-SFHVURJKSA-N 473.417 5.940 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccc(F)c(F)c2)C1=O)NC1CC1 920351631 CXDHXGWWKBEUDE-SFHVURJKSA-N 497.539 5.080 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@@H]2c2ccccc2)c(C)c1 920353313 GXMSBBUQTSGHDR-YMVVMYQSSA-N 491.657 5.072 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc3c(c2)CCC3)cc1 920394295 MIGPVXSOVIYESR-UHFFFAOYSA-O 472.634 5.509 30 20 JKED Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)o2)c1 920893336 CCQORLFQEWAEOW-IBGZPJMESA-N 455.518 5.357 30 20 JKED N#C[C@@H](C(=O)C1c2ccccc2Oc2ccccc21)c1nc(O)c2c3c(sc2n1)CCCC3 1515042252 MWRZPUGTTDNIQM-KRWDZBQOSA-N 453.523 5.390 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)nc(Cl)c4)cc3)CCC2)c1 1787120919 LPMGXLQVYOVEQO-INIZCTEOSA-N 474.948 5.129 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccsc3)cc2)CCC1 1787287432 YOQAZWYURJUOIC-JOCHJYFZSA-N 495.645 5.193 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccc(Cl)cc5nn4)cc3)CCC2)cc1 1788494729 NFFDTNFEISDKPV-UHFFFAOYSA-N 495.970 5.411 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3csc(-c4cccnc4)n3)cc2)CCC1 1788676031 LOUYYCJUYALHRH-UHFFFAOYSA-N 468.529 5.164 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2)CCC1 1788785992 INXHKSPJDWTSOG-UHFFFAOYSA-N 453.411 5.060 30 20 JKED Cc1ccncc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1788822966 YUDDXPVJHXLFEH-UHFFFAOYSA-N 478.474 5.342 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)cc1C#N 1788881940 YAIKCTGYRKGINN-UHFFFAOYSA-N 477.948 5.653 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4c(ccc5ncccc54)s3)[C@H]2C1 1789151523 CQCUVFALXBBLQW-HARLFGEKSA-N 491.657 5.035 30 20 JKED Cc1nc2ccncc2cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1789249014 PGLNREJTJLJOKE-LJQANCHMSA-N 489.579 5.627 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(C(C)=O)cc3)CCC2)cc1 1789449405 PZKQQYNRIVDIIV-HHHXNRCGSA-N 488.628 5.951 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3nn(C)c(C)c3Br)CCC2)cc1 1789456231 MOGSBCDPSSROOD-IBGZPJMESA-N 485.426 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc(OC)c3OC)CCC2)cc1 1789458208 PMMVRVPGJFLOFR-HXUWFJFHSA-N 466.553 5.359 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CCC2)cc1 1789458349 XNYQBSYWYVDECD-CJRSTVEYSA-N 493.648 5.002 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@]3(C)C[C@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1790428113 UBXZJGORARNVHU-JJHGTGHCSA-N 469.626 5.026 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccc(Cl)cc3)CCC2)cc1 1790509984 UDIGJHHYZFLQAV-SFHVURJKSA-N 468.981 5.087 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(Cl)c4)cc3)CCC2)c1 1790638358 XIZIERXGVIVSFX-UHFFFAOYSA-N 497.780 5.364 30 20 JKED C[C@]1(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)CC1(F)F 1790746606 HQNDGRCRJYWHSY-OAQYLSRUSA-N 488.332 5.114 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)nc4ccc(F)cn34)cc2)CCC1 1790994781 YMBWNUVAWDWLCO-UHFFFAOYSA-N 486.469 5.043 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791252711 YEESYWRQVQROFN-KNQAVFIVSA-N 471.642 5.272 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3Cl)CCC2)cc1 1791299665 WGXDQPVHNZJLDU-UHFFFAOYSA-N 458.896 5.127 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncoc5c4)CCC3)cc2)cc1C#N 1792168654 RZPDYEXHYSYLAX-UHFFFAOYSA-N 494.551 5.548 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)cc3)CCC2)C1 1792209657 QELXFCVHAMZVMC-DHIUTWEWSA-N 481.637 5.170 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(OC)c(Br)c1)C2 1792567928 WTSMEDDMLHGSBR-ACDBMABISA-N 491.470 5.021 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1 1793214012 SYMYHPRGFYEPTA-ZLWYIUKBSA-N 476.020 5.437 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C3(C#N)CC3)C4)cc2)cc1 1800315764 WFASSVQJWSEIIJ-OOSCYNTBSA-N 455.602 5.252 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1803077821 NAJOBJXFPKDRPB-CTNGQTDRSA-N 475.511 5.090 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1803083353 BKWRLJDBNOZLSB-DHLKQENFSA-N 478.036 5.241 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1803084462 QFPHKNLTYKBFCZ-AOYPEHQESA-N 484.600 5.133 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)CCc4cccc(C#N)c4)C3)CC2)CC1 1805331525 NJDJHCBGEKUZKY-OJBMAJLDSA-N 463.666 5.329 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C(C)C)cc3)CC2)C1 1806366788 KVDUWVIBLOKQPG-XMMPIXPASA-N 497.680 5.124 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CC2)C1 1806678818 SPOPAGFOFZEBAR-AREMUKBSSA-N 498.639 5.649 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)cc12 1809804877 JKYKARCFKLRVBJ-COVQPCOOSA-N 491.595 5.132 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)cc12 1809805701 RSWHNVCCHYFFID-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1810175600 LVDDBNVBITZHEB-VIZSFHNOSA-N 487.522 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1810488050 BCLUCOHSIIKLQK-GGAORHGYSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@H]1c1cccnc1 1810489097 JKYCEOBGTKJXOT-URXFXBBRSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2F)[C@H]1c1cccnc1 1810501706 CLBPMODILOQASE-YKSBVNFPSA-N 462.569 5.014 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccnc1)c1ccccc1 1811085879 MQXTUKFKQLEDTC-PBWSGDRGSA-N 483.587 5.046 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)cc1 1811365085 NOWRMPXFDOGZQF-XUZZJYLKSA-N 493.394 5.088 30 20 JKED N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCN(C(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)c1 1811723082 WKOJXVUIFAEMJL-SBUREZEXSA-N 490.585 5.002 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1812785241 OAIONTREGBBBDY-QMWXCIFZSA-N 451.655 5.462 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1812790929 YXJHQICHMVEIQT-INZVZTLUSA-N 493.051 5.533 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1812997888 SUAGNQQILAFZTH-HBMYTODVSA-N 491.635 5.088 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@@H]1c1cccnc1 1813013179 FWVINSQMEINLAL-BWKNWUBXSA-N 497.561 5.032 30 20 JKED CC(C)C1(C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CCC1 1813665074 DPBXOKURLDBVQX-OFNKIYASSA-N 498.549 5.118 30 20 JKED Cc1c(Cl)ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)c1Cl 1813768336 MPHNJTFAOOFNRO-GBXCKJPGSA-N 493.394 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(NC(C)=O)ccc2Cl)[C@@H]1c1cccnc1 1814000531 OHBHKRKGIXDCNY-RDPSFJRHSA-N 497.039 5.005 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1814299451 CUUNEYGMGXVLIN-MXBOTTGLSA-N 499.655 5.165 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)cnc2C)[nH]n1 1814442578 OXLFUVVIWNLTOE-IBGZPJMESA-N 488.430 5.174 30 20 JKED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)[nH]n1)c1ccc(Cl)cc1 1814659200 ARZKQYBRHYQDST-MWTRTKDXSA-N 493.970 5.112 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817764947 SVMTYFILJPMUIF-QHCPKHFHSA-N 473.552 5.110 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1)C(F)(F)F 1818214733 SCEAKSVFNRMYFS-INIZCTEOSA-N 491.436 5.235 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cccnc34)n[nH]2)c1Cl 1818483501 SQXYBTSIDPSEGL-OAQYLSRUSA-N 484.947 5.103 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc(OC)ccc3n2)n[nH]1 1818666399 MHSULKSFIVJEKM-GBXCKJPGSA-N 473.577 5.041 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4[nH]ccc4s3)n[nH]2)c1 1818791557 NFBXPRYOOXFPET-QRWLVFNGSA-N 472.574 5.199 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1819305878 QILXUWNTJHQFGK-URXFXBBRSA-N 487.579 5.685 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)[nH]n1 1819306100 WRAYTHDSKYIWOI-ZJSXRUAMSA-N 469.589 5.546 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1819306860 HKHSUMDSJPAOCP-KKSFZXQISA-N 465.985 5.619 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)cc2Cl)[nH]n1 1819310046 ONYNENXMLYFAOS-CIRHMYPESA-N 468.985 5.243 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819385589 VGOPDFHKPAPJSP-HXUWFJFHSA-N 483.689 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)[nH]n1 1819555944 LRGVZDYDNVRIKK-XMMPIXPASA-N 471.605 5.770 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(Cl)cncc1Cl)CC2 1820094961 ZSRYGYBLVHOSBI-GFCCVEGCSA-N 467.422 5.063 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(OC)c3)n[nH]2)CC1 1820208966 NPYQOVLCURYJDY-WXVUKLJWSA-N 477.609 5.202 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)[nH]n2)c1 1820484575 CJXIZNBBFNIXJW-SPHCQZIESA-N 459.594 5.194 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n[nH]1 1820588506 IHJQOOUKCUBMHT-QUCCMNQESA-N 460.500 5.503 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)n[nH]1 1820965793 RXJDMIATQLUWPD-OULNLLIASA-N 487.604 5.374 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)c1Cl 1822020068 MRINYBBRRQZWJT-VWFIUDSGSA-N 465.985 5.067 30 20 JKED CC(C)(C)CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1822116076 NEJNXQGCELXDPA-AZVXTCMLSA-N 455.603 5.111 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)n[nH]2)c1 1822330147 YKFLHRCFAMBZHA-IAELRNJOSA-N 467.573 5.146 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1822381780 UCBBSOCHQHRFQN-HXOBKFHXSA-N 485.613 5.249 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)[nH]n1 1822400496 NLRFFVPTDFHPQM-QFIPXVFZSA-N 496.970 5.760 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccn(C)c34)[nH]n2)c1 1823215442 RUYJZLZILPPPTB-KOSHJBKYSA-N 480.572 5.148 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)[nH]n1 1823418924 VFVFZLICKHPCBA-OAQYLSRUSA-N 476.577 5.082 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 1823682801 COHZQEWADDWWGU-VWLOTQADSA-N 469.585 5.171 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1823753643 CLAHNTNPIBIGLL-JOCHJYFZSA-N 476.702 5.357 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1828779427 YRLSNXZSNIHXAM-MBSDFSHPSA-N 499.677 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1828827111 HMFKFYAKTWTMSG-XUZZJYLKSA-N 454.014 5.213 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828906257 CBVCJMAUKWXSKI-RDGATRHJSA-N 498.706 5.575 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nn2C(F)F)CC1)c1ccccc1 1829032651 PTCSMMSNQKIOQQ-DNQXCXABSA-N 496.602 5.017 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2OC(F)(F)F)CC1 1829675408 MMSITUWNABLFJC-QGZVFWFLSA-N 498.439 5.300 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c(F)cccc3F)CC2)c1 1830081252 XKDHMXBJZJALEQ-AFMDSPMNSA-N 479.571 5.068 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3F)CC2)cc1 1830441078 MWIRZPQZUBXLEL-HHHXNRCGSA-N 489.591 5.033 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)cc1 1830575336 UKJLGGPVOLARCL-VWLOTQADSA-N 481.999 5.217 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c(Cl)c1 1830721640 KWAAPAZQRBNBQL-JOCHJYFZSA-N 493.032 5.368 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)cc12 1830721997 YBJHKMUIOIVYGY-SANMLTNESA-N 489.019 5.549 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1830724748 VQABQAOYKXONLF-UQBPGWFLSA-N 464.009 5.249 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 1831367325 HUEIITWDNQWBGW-IIBYNOLFSA-N 465.407 5.034 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1)C(F)(F)F 1831450819 GGRPYQAALHCCAO-HSZRJFAPSA-N 485.550 5.409 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)S)CC2)cc1 1831846049 VFRRLKWCQCTEEM-CPJSRVTESA-N 450.648 5.214 30 20 JKED COc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1F 1832635908 YHGWGLFIHIRXFC-CYFREDJKSA-N 477.580 5.008 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832687391 YDGVBNKKOJCESJ-RXVVDRJESA-N 464.984 5.620 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711640 QBSJVBWPWVXSAC-PMACEKPBSA-N 474.564 5.032 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832799106 CHHXHCRELOITFW-FHWLQOOXSA-N 464.519 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)CC1 1838373327 IZAJXOJLWRUXTG-MUUNZHRXSA-N 487.644 5.129 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 1838373970 WISGYIVMFCJHBH-QHCPKHFHSA-N 478.555 5.086 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)CC1 1838633377 YRUVSPNJSAOCBK-MHZLTWQESA-N 496.651 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3nc4ccccc4[nH]3)cc1)C2 1844357199 MUERMKZZSTXHJQ-UHFFFAOYSA-N 456.590 5.039 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)C2)c1 1845672271 NLDREDRBMWDSHL-IBGZPJMESA-N 478.552 5.186 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[C@@]12CN(Cc1ccccc1)C[C@@H]2C 1847265802 OHBWOFRRUFEOQC-WCDCPCRVSA-N 491.720 5.119 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nc2sc3c(c2c1=O)CC[C@H](C)C3 8632985 ICKOMKKCARVFJD-HNNXBMFYSA-N 467.660 5.370 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2scc(-c3cccs3)c2c1=O 11382188 GWJPOECLHQAOCM-AWEZNQCLSA-N 453.614 5.492 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)cc1F 14872455 QASYKWBSJKLMIV-UHFFFAOYSA-O 490.451 7.077 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)ccc1Cl 15082475 RHGPZUZICSTEAF-UHFFFAOYSA-N 470.978 5.291 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cccc(Br)c2)c1 15247536 AHRFYVGOUFKMOP-UHFFFAOYSA-O 495.249 6.403 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccoc1C 15278164 GMSJCSLCKRJNGF-GFCCVEGCSA-N 470.904 5.824 30 20 JKED C=CCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 21183563 SWMPOLCDRKVBEV-UHFFFAOYSA-N 497.546 5.425 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)NC1(C#N)CCCCC1 22122470 YNZVCVNRVDBRDK-INIZCTEOSA-N 469.998 5.063 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1ccc(F)cc1 24014869 ALFRHUHWQXKOIJ-HZPDHXFCSA-N 450.539 5.374 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 24050884 QDEZCRRRWQJFQK-UHFFFAOYSA-N 483.494 5.256 30 20 JKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)o2)c1 24505666 BNJWHVLVIASMMQ-UHFFFAOYSA-N 489.576 5.562 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 24827138 FWCDDTHDWJEYJM-UHFFFAOYSA-N 456.449 5.569 30 20 JKED O=C(/C(=C(\S)Nc1ccc2c(c1)OCCO2)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1 28649175 KCIAHAMCYUIQQQ-UHFFFAOYSA-O 460.362 5.103 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(C)c2)c1C 28793759 JEJFOZOSGFBNMO-UHFFFAOYSA-O 490.527 5.380 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1coc(-c2cccc(Cl)c2)n1 28964770 CIHTXZWLJXNGJU-UHFFFAOYSA-N 456.930 5.783 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(CC(C)C)C2CC2)ccc1Cl 105822191 MTBMQXDUOJQVGW-UHFFFAOYSA-N 464.990 5.121 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC1 106203535 RCWIVIVWBMWHTJ-JOCHJYFZSA-N 490.610 5.320 30 20 JKED C=CCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)nnc1-c1ccccc1OC 108223672 IKBPIZZAESFMRY-UHFFFAOYSA-N 456.571 5.684 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 108370044 YKLZODUGQOYPFU-UHFFFAOYSA-N 471.538 5.799 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 195636132 VIFOFFHDTJOQQW-UHFFFAOYSA-N 453.546 5.126 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 216013766 SJOULHGCGRTPAJ-UHFFFAOYSA-N 478.577 5.527 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 303008579 OGKYDRJXQIHRGB-HSZRJFAPSA-N 466.651 5.157 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1Cl 409765303 CGXXQGVXGOWDFW-YMVVMYQSSA-N 459.977 6.285 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)O[C@@H](C)C2 409813407 DRAJLHJFNOKDEI-BYGVMDBSSA-N 484.571 5.752 30 20 JKED N#Cc1cc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)ccc1OCC(F)(F)F 481975114 QPWHWYGTJFAVMC-UHFFFAOYSA-N 464.831 5.164 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](Sc1nc(C)cc(C(F)(F)F)c1C#N)c1ccccc1 488106338 SJONGWBZAIPRCJ-NRFANRHFSA-N 471.504 6.151 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1ccc(OCc2cccnc2)cc1 499343443 VTXLLCXFWWFMHA-UHFFFAOYSA-N 467.554 5.054 30 20 JKED C=CCn1c(SCC(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 500148957 YVYALINNGSLSLX-QGZVFWFLSA-N 466.010 5.358 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 501136654 UWCMVGNFRJHQPV-UHFFFAOYSA-N 477.524 5.628 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)c2nc3ccccc3s2)cc1 501766035 BXUVXZRYUDIFPM-UHFFFAOYSA-N 493.585 5.360 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1 505130708 OTAZPDBZXXMGTF-QHCPKHFHSA-N 492.000 5.156 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508277834 IQBXEZSIMSOSNH-UHFFFAOYSA-N 469.501 5.062 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(-c2ccc(F)cc2)no1 510296165 LIFYCGIFJDWHGB-UHFFFAOYSA-N 456.930 5.783 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccc(F)cc1 510578827 JBKFWWJTBUYZTK-LJQANCHMSA-N 478.515 6.044 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)cc1 511017261 WZFZWWCTYRIDCM-UHFFFAOYSA-N 470.573 5.312 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N2CCCC2)c1 511317973 ABLBIIBFDWJQIW-NDEPHWFRSA-N 484.600 5.299 30 20 JKED C=CCN(C(=O)c1sc(-c2ncccn2)nc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 515641896 GEMHFHHNIZTXFY-UHFFFAOYSA-N 488.425 6.172 30 20 JKED C=CCN(C(=O)CCn1c(C)csc1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 516070336 ONOVLXFXLYJZQJ-UHFFFAOYSA-N 461.612 5.618 30 20 JKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccccc1 516409900 JWHFOSZQXPZYNI-XMMPIXPASA-N 456.546 5.286 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 517525964 ZFVAKLDNKWAOCY-KRWDZBQOSA-N 489.563 5.666 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2C(F)(F)F)c1 518231723 FFZRNIFDFXZVEQ-UHFFFAOYSA-N 462.431 6.116 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cc1 518469980 MYLCCYHHBPSZTL-UHFFFAOYSA-N 456.527 5.121 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 519170673 WNHQIJWCNVMEPS-UHFFFAOYSA-N 475.520 5.360 30 20 JKED Cc1ccc(-c2nc(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cs2)cc1 519433252 ZZKWAPYWXZALMV-UHFFFAOYSA-N 461.534 6.324 30 20 JKED COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)cc1 520825145 ZGXRASFGKCEJHM-SFHVURJKSA-N 495.626 5.024 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 521557608 PHEMOMAWBJEIJL-UHFFFAOYSA-N 452.845 5.152 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3c(F)cccc3F)n2)cc1 523583207 ACLJRNCIAMBDPS-UHFFFAOYSA-N 461.493 5.986 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Br)cc3)c2)cc1 524711971 UMBUQIDDKWDIDJ-HSZRJFAPSA-N 490.357 5.356 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 564314171 FKFFHUIXNGGJQI-UHFFFAOYSA-N 482.590 5.292 30 20 JKED COc1cccc(-c2nnc(SCCC(=O)Nc3ccccc3C#N)n2-c2ccc(Cl)cc2)c1 589921259 KVZJQMCZEZHWGF-UHFFFAOYSA-N 489.988 5.589 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc(-c3ccccc3)nc21 603819879 RNPYZZMAZJBAJI-UHFFFAOYSA-N 464.554 5.927 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(Cn3cccn3)c2)cc1Cl 604084751 HTVMKFJZUOXAMD-XMMPIXPASA-N 455.949 5.562 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 604135174 IOTGRLVVINEZDY-UPVQGACJSA-N 461.949 5.210 30 20 JKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 604444897 LCKXSYVGQGRERA-UHFFFAOYSA-N 490.563 5.181 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1C 604450643 BLKZEEYTGKJOSW-QHCPKHFHSA-N 451.574 5.582 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C(F)(F)F)c1 604534104 AOQQQTLHJMIZFX-AWEZNQCLSA-N 493.555 5.687 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1C 608878283 HAPQZHWDRRVIOL-UHFFFAOYSA-N 452.518 5.224 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCc3c(Br)cccc32)cc1C 609025912 XQMRZOGZTXRZJC-QFIPXVFZSA-N 463.379 5.260 30 20 JKED COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609062017 RIXXYPRHWZRKAS-UHFFFAOYSA-N 499.596 5.074 30 20 JKED COc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OCc1cscn1 609176956 BOJCPXGTXMDILX-UHFFFAOYSA-N 457.511 5.647 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 609208909 PQZPASUHNJWRRR-UHFFFAOYSA-N 454.530 5.085 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)ccc1OC(F)F 609387383 ZNCDTEUKWNQJBV-ZDUSSCGKSA-N 456.967 6.208 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 609436933 YQAXWCXFXVOLGB-FUHWJXTLSA-N 465.554 5.681 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1cccc(Cl)c1 613403864 HLBREIXZLVAJLM-OAHLLOKOSA-N 460.868 5.953 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)nnc1-c1ccccc1F 613906423 BMRAQYHBFUWUKY-UHFFFAOYSA-N 490.526 5.572 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2SCc2ccc(Br)cc2)cc1 615370541 RBJASTRVOUUIKR-UHFFFAOYSA-N 497.418 5.696 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(CCc1ccccc1F)C1CCCC1 622093075 WGHFVMUHQPEDBP-HZPDHXFCSA-N 468.457 6.232 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC)c(F)c3)N(Cc3cccs3)C2=O)c1 726416813 SYIMGTHWKJQDMV-OAQYLSRUSA-N 499.589 5.065 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2ccc3c(c2)CCCC3)c1 726572937 KUYLDTOKLJZIEN-UHFFFAOYSA-O 455.603 5.475 30 20 JKED COC(=O)c1sc2ncc(C(C)=NNc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2c1C 727061116 CLKNTARZDVDQAN-UHFFFAOYSA-N 494.598 5.028 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c(F)cccc1F 727627421 FWHQEHZYKNFVOW-MLGOLLRUSA-N 467.419 5.037 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1 728412234 SGWLBLMSNUGFCZ-NLFFAJNJSA-N 454.570 5.517 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)cc1 728776316 AZYVDSFJFHUORN-QFIPXVFZSA-N 484.572 5.742 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729571818 MMCAUXAVJZQIEA-BWKNWUBXSA-N 490.604 5.994 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\[C@@H](C)c1cccs1 729632982 UMWXKKJECYCSFO-IPTCSCHISA-N 482.606 5.181 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc(F)ccc2F)c1 729634917 WSHMMVYKEPHTEY-JOCHJYFZSA-N 481.524 5.134 30 20 JKED Cc1ccccc1-c1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2)c1 729643703 HIVDQGKRQSHEPK-NTEUORMPSA-N 489.593 5.043 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 729889929 VEXRHXPPSPZCSY-DEOSSOPVSA-N 468.944 5.391 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)[n+]2ccccc2)cc1Cl 730440512 RMQHDCPJLPIDTE-UHFFFAOYSA-O 499.015 6.401 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1 730688576 ZQMVOPHVXQYMBF-KXBFYZLASA-N 453.514 5.647 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 731061807 DHHPKERYJWAZFU-LBPRGKRZSA-N 490.425 5.771 30 20 JKED N#Cc1ccccc1COC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 731102902 SFCYGJKYMKTIMD-UHFFFAOYSA-N 456.758 5.106 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)s1 731312436 LXXQBKIZOWJCGG-QFIPXVFZSA-N 490.610 5.048 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)Cc1ccco1)c1cccs1 731313323 XZHUDBLQTUJRHN-TZNDBUCRSA-N 483.615 5.068 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2)c1 731406183 KNYQCDCVTWQXBI-UHFFFAOYSA-N 464.525 5.177 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C=Nn1c(S)nnc1Cc1cccc2ccccc12 744729335 RYHIVUPRVZPBAC-UHFFFAOYSA-N 456.550 5.135 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cn(CCC#N)nc2-c2ccccc2)c1 744762008 TZUSSOLBRYJYKF-UHFFFAOYSA-N 485.617 5.237 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1OC 746686758 LABTYQAMNKSPMQ-WEVVVXLNSA-N 483.952 5.048 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCCOC2CCCC2)C1=O)Nc1ccccc1F 747042621 GBSDQQSPAHZOBW-QFIPXVFZSA-N 487.572 5.274 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCCCC#N 747473122 RYIWFLCEVPVQFM-XDHOZWIPSA-N 478.517 5.802 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cscn2)c1 747598428 BCHQPDXPKDVTCD-QHCPKHFHSA-N 486.622 5.765 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1C 799214450 LVNSPTVFRGUCHG-SFHVURJKSA-N 460.386 5.204 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1OCC#N 814297342 NVFMSKVUFRYQLC-REZTVBANSA-N 451.356 5.310 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2F)C1=O)Nc1ccccc1F 837300572 IANPXYJPPAFZPF-NRFANRHFSA-N 469.488 5.264 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 904491176 RWAMPHPEGDZGAG-OAQYLSRUSA-N 472.549 5.394 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 912828468 RDXLMQFNIRYWQS-UHFFFAOYSA-N 479.009 5.046 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)N(C)c2ccccc2)c1 912897777 YHAXTUTURZHLLW-JOCHJYFZSA-N 483.568 5.072 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3ccccc3F)s2)cs1)c1ccc(F)cc1F 914773330 GBLGVORDXJXOTJ-CLFYSBASSA-N 484.524 6.870 30 20 JKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCCC(C#N)(c3ccccc3)c3ccccc3)n2)n1 914881829 CDMJPBMROYDTHD-UHFFFAOYSA-N 470.960 5.594 30 20 JKED Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915352447 KZNFJPUTBXXOCF-OAQYLSRUSA-N 477.362 5.173 30 20 JKED CC(C)(C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)c1ccc(Br)cc1 915584857 JISIDAQYKHMJEQ-UHFFFAOYSA-N 453.336 5.021 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(F)c(Cl)c1 916205220 MNYNNZCDYWFCRQ-LJQANCHMSA-N 461.946 5.052 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(Cl)cc1Cl 916215747 YOTZMLGMSUPPHF-LJQANCHMSA-N 494.400 5.157 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cccc(Cl)c1 916215777 YXVKAXRVSOBAND-QGZVFWFLSA-N 479.345 5.048 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(F)cccc2Cl)c(C)c1 916273877 DGGYNRSLTMEBQR-UHFFFAOYSA-N 476.917 5.251 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916885261 QZFPPDXPHPHNEV-GOSISDBHSA-N 483.380 5.723 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916888159 SGDHRKRAXVFIJW-MEDUHNTESA-N 485.375 5.592 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 916909551 KZMDIBOOHLDGDU-JOCHJYFZSA-N 462.933 5.451 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1 916950192 SHHVYDKAFPRYGM-VFNWGFHPSA-N 465.351 5.109 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)cc1 916953481 CNDRETKFFDGJPS-JTSKRJEESA-N 475.618 5.146 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3nc4ccccc4s3)o2)c(OC)c1 917030143 BBQGIWQWHMLDGC-UHFFFAOYSA-N 463.544 5.003 30 20 JKED N#C[C@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1nc2ccccc2n1C(F)F 917039762 CSFUPERXDOXJHU-QGZVFWFLSA-N 470.273 5.602 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnc1-c1ccco1 917043890 QCIOBEULLJCDNN-GFCCVEGCSA-N 477.493 5.155 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 917804151 LNQVPXQKOIRIRO-UHFFFAOYSA-N 466.291 5.255 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1 919907318 NFXFPJOSPVTXDI-UPIHBEMDSA-N 476.602 5.022 30 20 JKED CC(=O)N(c1nc(/C=C2/COc3ccc(C(C)C)cc3C2=O)cs1)c1ccc(F)cc1F 920068174 KRJSWMFAFYIELM-PXNMLYILSA-N 454.498 5.888 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCSc1ncnc2sc(C)c(C)c12 920109641 TVUOIUGBGOTITP-AWEZNQCLSA-N 489.022 5.108 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C 920140224 CSIXURIXPSLNNJ-OAQYLSRUSA-N 469.595 5.453 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(COc4ccc(C)cc4)n3)n2)cc1 920140738 BIFRUSWSZAJAKQ-NRFANRHFSA-N 475.595 5.582 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cc(C)on3)C2=O)c1 920354044 YIMMDRKMALPLSV-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)cc1 920806878 RUOKAXMSAFYPPP-ZWKOTPCHSA-N 465.525 5.125 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)C2 1779511552 NHAVIGHVTDBTEB-STSWTCBMSA-N 458.687 5.099 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)CCO2)C1 1783106297 BONRVFKDHSWRSW-AFMDSPMNSA-N 492.582 5.409 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)cc1 1786242481 HSUGOADTHRPNJW-UHFFFAOYSA-N 465.544 5.450 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)cc1 1786334463 XSQZDFMBBAKSTL-CLJLJLNGSA-N 465.553 5.118 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC4(CCC4)C3)CCC2)cc1 1786546607 MKGWVDKMRZJBLP-QFIPXVFZSA-N 481.637 5.170 30 20 JKED Cc1nc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cs1 1786861265 PTVZRMVETNELDC-QGZVFWFLSA-N 458.587 5.069 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)c1Cl 1787130641 SFHMMXRAGPRLLB-UHFFFAOYSA-N 475.980 5.225 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)noc3C)cc2)CCC1 1787266947 UFZAWDQDZXJEMT-UHFFFAOYSA-N 461.587 5.317 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)cc1 1788360138 UOAQMHFIACBEAZ-UHFFFAOYSA-N 495.627 5.087 30 20 JKED C[C@H](Nc1nccs1)C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1788619054 GZBFJVPDEDJQDO-IBGZPJMESA-N 482.726 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4snnc4C4CC4)cc3)CCC2)c1 1788844238 MHTOROLDWAFCHZ-MRXNPFEDSA-N 471.586 5.104 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)cc2)CCC1 1789288036 SLVRNSNVPREHAR-HXUWFJFHSA-N 490.551 5.055 30 20 JKED CCn1nc(C)cc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508789 KXIMOPOWKFETTQ-UHFFFAOYSA-N 464.686 5.010 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1789576567 NZRORKXPZPHCOF-OCSSWDANSA-N 484.531 5.281 30 20 JKED Cc1cnc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)s1 1790081996 YKZCRVUDDWELEZ-UHFFFAOYSA-N 450.951 5.038 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c(C#N)c1 1790082881 UDTKEBBXEDCSAT-UHFFFAOYSA-N 498.970 5.082 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)COc3ccc(Cl)c(Cl)c3)CCC2)cc1 1790565224 VDNJONCLNOEBGP-INIZCTEOSA-N 492.403 5.307 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCC2)cc1 1790566509 VMWWTXSFZAXWDE-MRXNPFEDSA-N 461.484 5.254 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790590879 FQEWBDKDJFRIBJ-UHFFFAOYSA-N 451.570 5.690 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)CCC3)cc2)cc1 1790706482 HGDGMFCVTYDYPK-GSDHBNRESA-N 479.605 5.388 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)nc4)CCC3)cc2)cc(C(F)(F)F)c1 1790785325 GCULHHFDFJWINH-UHFFFAOYSA-N 499.880 5.082 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnn4-c4ccccc4)CCC3)cc2)c1 1792123731 POBGWPIHRCZBRG-NRFANRHFSA-N 489.579 5.561 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Cc4ccccn4)CCC3)cc2)cc1C#N 1792168864 JAXREGJFWXZSKW-NRFANRHFSA-N 496.611 5.367 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3csc(C)n3)CCC2)cc1)NC(=O)OC(C)(C)C 1792203948 BWRSJLSWBKJGRA-FQEVSTJZSA-N 498.649 5.059 30 20 JKED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1793571282 MAJKWZXJVXDCDZ-MVWVFHAYSA-N 490.566 5.043 30 20 JKED CC1(C)CCc2cccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C4)c2O1 1796692646 DUJNAPIBBGYVMW-NUNAXRQHSA-N 480.725 5.093 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4occ(Cl)c4c2)C3)c1Cl 1799303130 CTNPNGIOZILADL-BJWYYQGGSA-N 468.340 5.177 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1 1800278374 NGRKHSQIALLFEY-SPGPFUFCSA-N 482.571 5.119 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]4CCCC[C@H]42)C3)cc(C(F)(F)F)c1 1800740642 DJSSHBAFGOMZDL-BODWGHHWSA-N 487.566 5.435 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCc2ccc(C(F)(F)F)cc2)C3)c1 1800761310 FBJKUKGCUNHRGQ-BKFWDETESA-N 483.534 5.160 30 20 JKED Cc1ccc(CSCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cc1 1802131170 OZCOYPOEKKLSJK-QEIWAGNOSA-N 484.782 5.308 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1802491979 JDXTZGJJOWKUMT-LBNVMWSVSA-N 484.644 5.261 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1802494608 DFOXSXFTMXETPF-KNQAVFIVSA-N 474.432 5.700 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1802504044 UZROBILLBCRMSF-NQIIRXRSSA-N 482.675 5.373 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1803602675 TWKKXZAROCBDGG-IGKWTDBASA-N 498.048 5.269 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc(C)cc23)[C@@H]1c1cccnc1 1804384351 OOHUZQFZZMQURS-CUNXSJBXSA-N 472.633 5.112 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4nc(C)sc34)CC2)C1 1804858382 BIPGQDDMPYFMQG-UHFFFAOYSA-N 453.652 5.442 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C(C)(C)Cc4ccccc4)C3)CC2)c1 1805394232 OCUHWAHDPRNGDX-QHCPKHFHSA-N 471.645 5.427 30 20 JKED Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)C2)c1 1806528875 DEBUAJCUDMZPSZ-HSZRJFAPSA-N 457.618 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1809788496 SVGLNJVWEMXMCQ-RDPSFJRHSA-N 465.663 5.334 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810107693 LJOKEAGGSCSAAX-JMUQELJHSA-N 469.676 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1810175018 VTDAVZPQBDWJFU-QNIAMRLHSA-N 477.605 5.523 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2ccc(C)o2)[C@@H]1c1cccnc1)c1ccccc1 1810409199 JOHIDGMNVHLYFM-ITCSKINOSA-N 495.623 5.290 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)[C@H]1c1cccnc1 1810494694 KGOALXHSEJTPLH-ULNCZQIZSA-N 488.676 5.144 30 20 JKED CC(C)=CCCC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811872290 CIVNQAAUBSTKKW-GBXCKJPGSA-N 484.522 5.038 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H]1c1cccnc1 1812591290 VYELMSIPTLOTTC-VLUSQRCCSA-N 493.611 5.157 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)[C@@H]1c1cccnc1 1812592313 MXAXYSXUUJKTRQ-GGPAXRDESA-N 485.603 5.343 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812807747 RBTHYDYYNAIHGY-BFLUCZKCSA-N 453.671 5.852 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@H]2c2cccnc2)c1 1813956049 NZDSUFGNWNIPLY-URLMMPGGSA-N 486.575 5.254 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1 1815656386 REISQSPCMQGPET-LJQANCHMSA-N 481.449 5.261 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2scnc2C(F)(F)F)n[nH]1 1816628445 SFEUKHIZJQXDPE-CQSZACIVSA-N 469.533 5.183 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@@H]2CNc3ccccc3C2)n[nH]1 1817373819 YCXVMKLLASKXAE-NBGIEHNGSA-N 475.637 5.235 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C2CC2)[nH]n1 1818117948 HSKBEFBSTFPNBP-JNCYCUAHSA-N 474.586 5.094 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818970953 UVEGJBFMPNQNLO-OAQYLSRUSA-N 484.025 5.145 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)Nc2ccccc2)n[nH]1)c1ccccc1 1819327226 JWLHUISEIGQDQN-QQSVUBKYSA-N 483.616 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCNc2ccc(C)cc2C)n[nH]1 1819463948 RTRBVCSZZPMIGB-URXFXBBRSA-N 463.626 5.289 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)nc2F)[nH]n1 1819553175 YHQFMPXVXYTHRP-MRXNPFEDSA-N 492.393 5.005 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820223146 JDUFNCHWFBCZGR-KSFYIVLOSA-N 486.963 5.182 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)c1 1820484316 KNERDOQVSFBZRE-OAQYLSRUSA-N 473.920 5.301 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4)n[nH]3)c2O1 1820547482 OICLFKCQYVSDCZ-HSZRJFAPSA-N 483.572 5.005 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820548569 IJNICHPPXCEDMF-SANMLTNESA-N 492.583 5.309 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)[nH]n2)cc1 1820549035 FGQDDYLSLNGNRT-NRFANRHFSA-N 472.936 5.036 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821524306 PMCQRUFHMUQGFD-QFIPXVFZSA-N 469.545 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2Cl)N(C)C)n[nH]1 1821764949 ZZGFQXLOPRETKV-GMAHTHKFSA-N 486.060 5.351 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1821987341 PKRBGTZZWQHXCI-IBGZPJMESA-N 495.555 5.690 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1)c1ccc(O)cc1 1822021181 LJOFSRMEQXAXHR-FXCZLNNUSA-N 488.632 5.131 30 20 JKED Cc1cccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1823126859 ZMWKAZXVUAVACP-HTAPYJJXSA-N 459.525 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC(F)(F)F)[nH]n2)c1 1823212817 WOSMMABSVNZZKN-BEFAXECRSA-N 461.488 5.075 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823312004 COAUJIVMMYMMJJ-GOSISDBHSA-N 491.817 5.325 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603411 DMYGZGWIMBRZDO-CPJSRVTESA-N 489.620 5.297 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1824143868 SUHUZHHTOKIBQN-DEOSSOPVSA-N 473.608 5.033 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1825095979 TWAHVWPUAIGOLZ-VVYJVAHXSA-N 494.639 5.742 30 20 JKED C=CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)CC2 1826051824 KWQUUCRKJGQVBZ-FQEVSTJZSA-N 468.582 5.160 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533439 GCYYHOUZLIKCLP-QHCPKHFHSA-N 469.423 5.412 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734441 FKVXRSAUQWTPSI-XMMPIXPASA-N 481.036 6.027 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1828222013 PJXNICDJTCNVLT-SBUREZEXSA-N 486.454 5.376 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)ccc2n1 1828233293 COIBCKBGUFHMLU-KCWXNJEJSA-N 494.639 5.717 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562836 JUGHNKYPZAMOGO-YIXXDRMTSA-N 483.656 6.052 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1829957506 UHCSVTFICTUJSE-QFIPXVFZSA-N 471.935 5.037 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)cc1 1830013067 PNMLOZLOYWBTFN-DEOSSOPVSA-N 483.534 5.053 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1830014943 MPBBQRMHPKVCKY-WUZNFDRSSA-N 467.569 5.251 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1830631735 NGNLXPRQOJRRIT-QHCPKHFHSA-N 484.427 5.607 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCC(F)(F)C3)CC2)cc(C(F)(F)F)c1 1830755390 YAPSPOPQBWCSJU-NQIIRXRSSA-N 497.508 5.246 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC#N)CC2)c1 1830777048 DSPWIYKUDLBNOY-QFIPXVFZSA-N 474.443 5.110 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1830810735 PENYOTCIOPAHQA-XMMPIXPASA-N 466.622 5.003 30 20 JKED C[C@H](c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)cc1)C(F)(F)F 1831235613 RNUNLUOTBITRHJ-GCJKJVERSA-N 477.571 5.064 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1831370394 KIGHOMMGGYKGGM-HFZDXXHNSA-N 475.633 5.203 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1 1832629223 MCNAEPSCMVQRLG-PSZRBTJDSA-N 487.566 5.280 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832687652 DXUPLDASLOUCKN-HXOBKFHXSA-N 499.989 5.792 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1 1832793018 LAWFEVJBXKRLKS-FQEVSTJZSA-N 493.654 5.147 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)CC1 1832828022 LMZBPWXEQKJBMG-MHZLTWQESA-N 460.593 5.063 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)CC1 1836697995 ODFKYPACLJNTHC-UHFFFAOYSA-N 459.030 5.029 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 10757306 ZZHVMHJMBJSNFD-UHFFFAOYSA-O 470.760 5.830 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1 11198262 CMKSUIJUGBSAOE-QHCPKHFHSA-N 453.999 5.043 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F 14088321 OHOLNBUCDXIHQV-UHFFFAOYSA-N 482.915 5.446 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1ccc2c(c1)CCCC2 14871871 DUWSGJJQEZPXAL-UHFFFAOYSA-O 494.478 6.229 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1csc(-c2ccc(C)cc2)n1 20009141 KTOQTHLJADYGGX-UHFFFAOYSA-N 457.349 5.300 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 22731724 YFBAYGPITGSVEK-UHFFFAOYSA-O 467.439 5.510 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(NC2CCCCC2)s1)c1nc(-c2ccccc2)cs1 26022488 LSIMTIZLWNKPLB-INIZCTEOSA-N 455.634 5.375 30 20 JKED C[C@@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C(=O)N(CCC#N)c1ccccc1 26701945 KELQWIPAHQMPSI-OAHLLOKOSA-N 478.574 5.218 30 20 JKED Cc1ccc(-n2c(SCC(=O)N(CCC#N)c3cccc(Cl)c3)nnc2-c2ccncc2)cc1 26967657 FWVWUVXNTBYSJX-UHFFFAOYSA-N 489.004 5.330 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(Cc3cccs3)n2-c2ccccc2)cc1 26979611 SSCRLZQRGIMWEA-HXUWFJFHSA-N 487.654 5.656 30 20 JKED CC(C)c1nnc(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1Cc1ccco1 96248599 MOEYASVAUVMCIM-VVRYKASASA-N 450.608 5.404 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1ccccc1F 217155216 AIVVNGKWFBUWJD-UHFFFAOYSA-N 469.973 5.271 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccco3)n2-c2ccccc2)sc2c1CCCC2 247777819 YNORNMRRKFDISR-UHFFFAOYSA-N 475.599 5.460 30 20 JKED C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 255935930 BRDHBOICLZWHAW-SFHVURJKSA-N 489.004 5.410 30 20 JKED COC(=O)c1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c(F)cc1F 476899193 BYWICWWJPQPFSR-UHFFFAOYSA-N 493.310 5.227 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cc(Br)cs3)cc2F)c1 481620892 GMJJGOHJBHICKL-UHFFFAOYSA-N 460.328 5.422 30 20 JKED COc1cc(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1SC 487315602 RAATZMRDZSSTOX-OAQYLSRUSA-N 494.016 5.323 30 20 JKED N#C[C@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2cc(Cl)ccc2s1 501337503 UUNZADYHLKXURM-CYBMUJFWSA-N 454.342 5.551 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3COCc3ccccc3)CC2)c1 502660012 HFVQYAQONGGCTA-UHFFFAOYSA-N 468.557 5.158 30 20 JKED N#Cc1c(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)sc2c1CCCCC2 503117985 DWLHVXRQUVWCCK-UHFFFAOYSA-N 450.585 5.115 30 20 JKED Cc1ccccc1C1(CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCCCC1 505173105 KPXNBSJWQUNENU-UHFFFAOYSA-N 472.589 5.349 30 20 JKED CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 511940001 RCDMVQRBXGPKFQ-UHFFFAOYSA-N 461.949 5.525 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513158922 DNMHUSLCFQBWMK-INIZCTEOSA-N 474.895 6.012 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(O)c2c3c(sc2n1)CCCC3 514294474 IQHINQYMIZZCCS-UHFFFAOYSA-N 483.594 5.064 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc3cc(OC)ccc3c2)nnc1-c1ccc(Cl)cc1 514521791 FAPGTFPOHFFDEB-UHFFFAOYSA-N 479.005 5.355 30 20 JKED CC(C)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 515543698 PODRPTALNOAPHW-HJFDCUHHSA-N 468.644 5.283 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl 515679553 DBVYGNUXTKDLTB-CYBMUJFWSA-N 492.388 5.316 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2n1C(F)F 516074794 BFRJQXGPOZYIRZ-JTQLQIEISA-N 479.331 5.869 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)n2)cc1 516714158 RGDWHYOVDHFUPT-HNNXBMFYSA-N 486.450 5.652 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2CSc2nc3ccccc3o2)n1 516794434 CSBKFDQCCIMJQO-MRXNPFEDSA-N 463.540 5.243 30 20 JKED C=CCN(C(=O)[C@H](C)Oc1cc(C(C)C)ccc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 517300038 OBBPKLGQXOKCRV-IBGZPJMESA-N 498.670 5.632 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1ccncc1 517532903 QZMWNFNWVGQLHS-OALUTQOASA-N 476.602 5.946 30 20 JKED Cc1c(Cl)cccc1Nc1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)s1 518128552 XVETUXDCDJNGBJ-CYBMUJFWSA-N 490.079 6.226 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cccc2cnccc12 518222687 ARROHTBTVRWXAM-IBGZPJMESA-N 470.945 5.391 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519438611 RZMROKKJDUUYPF-UHFFFAOYSA-N 489.441 5.327 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccccc3Br)c2)cc1 519918155 DTKZEWCDNVDQSV-UHFFFAOYSA-N 450.336 5.416 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 520829562 DUOJDQFRBXVNEN-DLBZAZTESA-N 473.545 5.031 30 20 JKED COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1 520835925 ZRXWGGDCQMUJOV-MRXNPFEDSA-N 469.657 5.942 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 521090963 BAGRJLOMCHAMJR-UHFFFAOYSA-N 484.987 5.911 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1C 521186260 NGCUZALBXNXQSF-UHFFFAOYSA-N 463.541 5.585 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 523349996 SFQHTVLIMYVAMH-UHFFFAOYSA-N 482.353 5.897 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 587788423 DHBJJQANLCHDHT-DZGCQCFKSA-N 484.318 5.354 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)n(Cc2ccccc2)c1C 590666381 PPWRMJJNROZOLD-UHFFFAOYSA-N 460.534 5.550 30 20 JKED C=CCN(C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603458984 XONLPFCLBHHFFB-UHFFFAOYSA-N 479.489 5.862 30 20 JKED Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1NC(=O)c1ccccc1F 603968915 LGQNIUJRUMHKDA-UHFFFAOYSA-N 455.514 6.239 30 20 JKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 604044216 CLQCEFALRRLXAL-OAHLLOKOSA-N 473.882 6.249 30 20 JKED COc1ccccc1CN(CCO)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604090364 WSJAZCWJIQNLOX-UHFFFAOYSA-N 451.910 5.039 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)CC1 604235985 DOBDZCMTWRDGKI-VZCXRCSSSA-N 474.564 5.539 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Oc2ccccc2)cc1 608797434 NEVSIAXHTVVWAS-LJQANCHMSA-N 478.508 5.354 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)n1 609046720 KPYZNYFEQGTRTA-UHFFFAOYSA-N 453.502 5.327 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)o1 609064418 UZUOBJYFIPGFJK-UHFFFAOYSA-N 469.472 5.303 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 609066671 HHRZXWOOMAWSKN-UHFFFAOYSA-N 476.266 5.971 30 20 JKED Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 609078421 PKJRPKPHTHMVLY-UHFFFAOYSA-N 468.601 5.494 30 20 JKED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 609156252 XERIPNWVRZURHN-FQEVSTJZSA-N 494.414 5.093 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nc2sc3c(c2c1=O)CCC3 612552534 OPIHIHNBZPVMAO-NSHDSACASA-N 463.987 5.045 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1nc(-c2ccccc2)cs1 613392038 HLLHDSDFUKHKPY-QGZVFWFLSA-N 492.354 5.908 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1ccc(OC)cc1 618070501 LDGWUJZKAWQHIY-ZWKOTPCHSA-N 450.608 5.060 30 20 JKED O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618554676 ATTPUVNQOVFXDC-HEHGZKQESA-N 489.863 5.388 30 20 JKED C=CCOc1c(Br)cc(CNC[C@@H]2CCCN(Cc3cccs3)C2)cc1OC 622603367 YNLBGQCJEXLBKR-KRWDZBQOSA-N 465.457 5.086 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC)c(F)c1 726412925 USAGFVHBYLUYRW-NRFANRHFSA-N 457.571 5.212 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\[C@@H](C)c1cccs1 726423327 YWSZRKOPRKFJBN-XKXIVVFUSA-N 486.446 5.091 30 20 JKED Cc1cc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)c(C)c(C)c1C 726569537 DCGUJFKVNOUVPZ-UHFFFAOYSA-O 488.677 6.012 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2sccc2C)cn1 726891764 QCKIHHXJOONHER-FQEVSTJZSA-N 494.642 5.237 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cc(OC)c(OC)cc2NC(=O)Cc2cccs2)c1 727402429 YNXOYHISESGVQJ-UHFFFAOYSA-N 466.559 5.154 30 20 JKED Cc1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c(C)n1-c1ccc(C#N)cc1 728265679 UTZDJQYQZAHAPX-UHFFFAOYSA-N 450.546 5.203 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1 728777243 FCCQABRNYINDCN-OJXBDIKWSA-N 454.621 5.140 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(CCCCC#N)C2=O)c1 728777784 ONFVZJRZGYJKFY-HSZRJFAPSA-N 478.618 5.473 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2ccccc2c1 728780748 YCXFXIUVLKLKLE-QHCPKHFHSA-N 474.561 5.633 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)cc1 729111370 RHCPCOCDOJVSMV-DEOSSOPVSA-N 467.481 5.258 30 20 JKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)[C@@H]2c2cccs2)cc1 729417589 OUOZWWVKDDEDIM-LEAFIULHSA-N 499.636 5.483 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1c(C)noc1C 730442097 QVWTVOSQIQLDGU-JOCHJYFZSA-N 494.592 5.250 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O)Nc1ccccc1Br 730460316 XMKANOGWRNKDQA-GOSISDBHSA-N 476.371 5.101 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCCC3)C2=O)cc1OC 730537484 UQEOYWOCFRKKAB-QFIPXVFZSA-N 485.581 5.054 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(CCOCC2CC2)C1=O)Nc1ccc(F)cc1F 730944216 SZWVDTKSMDXKIJ-HXUWFJFHSA-N 493.963 5.005 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1cccnc1 730945753 XLQCNGHLPKFHGU-NYHFZMIOSA-N 496.539 5.090 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 731060167 RQNGNAANUVAJLJ-SFHVURJKSA-N 458.539 5.107 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(N(C)c2ccccc2)nc1 731071707 WWIBTVOITLNURH-GOSISDBHSA-N 460.559 5.039 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@H]2CCOc3ccccc32)C1=O)Nc1ccccc1F 731152362 QUNLOSKLGRRRNB-KOSHJBKYSA-N 489.572 5.352 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731307105 PMRCXUVYIMSICL-GOTSBHOMSA-N 493.535 5.318 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)s1 731310915 SLZIRHFHODUAJI-BTYIYWSLSA-N 483.590 5.623 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S 732456245 UGGUXAKZUJOCQU-FQEVSTJZSA-N 468.696 5.033 30 20 JKED COc1cc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccc1S(=O)(=O)C(F)F 747066483 LWRZRNWYRWMYDP-CLFYSBASSA-N 479.482 5.224 30 20 JKED COc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1OCCCC#N 747361481 PKIVHRYAYUNQPW-UYRXBGFRSA-N 482.993 5.205 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cscn2)cc1 747603515 SNHXYJJNONLATM-NRFANRHFSA-N 480.615 5.011 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 747804815 UOCSNAOILDIXPX-IEZKXTBUSA-N 492.645 5.170 30 20 JKED CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747873576 HVTNVSVOWQAZQA-RPLLCQBOSA-N 494.620 5.380 30 20 JKED Cn1ccnc1[C@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 759113880 JTEUWCVNJORZGM-LIXSYLKWSA-N 471.376 5.516 30 20 JKED CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 824940862 DFIRLYYBCQYAEJ-CVEARBPZSA-N 462.575 5.362 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](C)CCc2ccco2)C1=O 837514239 HUKYWWFELBCHST-MBSDFSHPSA-N 477.586 5.270 30 20 JKED CC(C)N1CC[C@@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 849613195 PVKIJFDTAHMAEW-MSOLQXFVSA-N 494.455 5.162 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1OC 864094875 KOCUMYJMBKYASL-ACCUITESSA-N 467.953 5.414 30 20 JKED COc1cc(-c2noc(C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)n2)cc(Cl)c1OC 904404526 KNQWFWLZMWEBEF-UHFFFAOYSA-N 473.360 5.490 30 20 JKED N#Cc1ccccc1OCc1ccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)o1 904466470 RLTVVGAWHWYYFH-UHFFFAOYSA-N 450.454 5.421 30 20 JKED CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)[C@@H](C)c1ccc(C#N)cc1 914509670 WKOGCFOURCZYKC-SFHVURJKSA-N 494.016 5.186 30 20 JKED C[C@H](OC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)C(=O)Nc1ccccc1C#N 914964332 YEVTURDRADHMHM-JTQLQIEISA-N 452.841 5.629 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 915085600 CTARMOUYAROAHO-LJQANCHMSA-N 455.739 5.775 30 20 JKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915106536 CQVAWSGHDKCBOQ-SJLPKXTDSA-N 458.896 5.106 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1cccc2ccccc12 916204448 GEFFEPOMQFKZHE-VWLOTQADSA-N 480.593 5.438 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccccn3)C2=O)c1 916205587 QLOWQNQQONNOOW-OAQYLSRUSA-N 498.967 5.043 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccccn1 916207479 ZOHZGXMSJYJBPW-QFIPXVFZSA-N 496.995 5.386 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 916211203 LXWGUYMQGSNKEZ-INIZCTEOSA-N 452.338 5.279 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)cc1 916212893 TUJPFYPQTZXTQD-NRFANRHFSA-N 464.978 5.204 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCc1ccccc1 916546444 RFIPOQWOHWABBX-UHFFFAOYSA-N 464.978 5.694 30 20 JKED N#C[C@@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 916887959 QNRWJGYULKTDAY-HNNXBMFYSA-N 457.329 5.978 30 20 JKED Cn1c2ccccc2c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)sc21 916908637 NKNPTCBKDXBDOJ-FQEVSTJZSA-N 465.534 6.146 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916916362 XOUCCKPKIDMJDJ-NRFANRHFSA-N 450.523 5.510 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1OC 916935294 OEACESGHQPVPNS-QHCPKHFHSA-N 459.546 5.196 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1Cl 916939166 PJEJDPFRCDWJHG-CYBMUJFWSA-N 467.959 5.648 30 20 JKED CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916973942 AMWXBSCWYHCMTO-RTWAWAEBSA-N 464.566 5.102 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)[C@H](C#N)c4nc(-c5ccccc5)cs4)nc(O)c23)C1 917027021 TWHSSMYAMONHHR-YOEHRIQHSA-N 474.611 5.454 30 20 JKED CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 917876609 NKLSVOZUYYDWCD-UHFFFAOYSA-N 490.368 5.160 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1 918489631 LZUJEKDCKMXTGN-CRAIPNDOSA-N 474.369 5.581 30 20 JKED CCN(Cc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)OC(C)(C)C 918606252 WYCHZDFDCAOGHD-UHFFFAOYSA-N 475.545 5.740 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(OCC#N)c2)c(OC)c1 920025681 QHIQINVJUSKUPR-UHFFFAOYSA-N 455.514 5.326 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 920104452 TUFOYAYVTYSQLU-JOCHJYFZSA-N 469.566 5.705 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 920108272 DQKDNTFFTWMRQN-DEOSSOPVSA-N 493.563 5.700 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2c(C)noc2C)C1=O 920354923 INDKNDYJXYLUKZ-OAQYLSRUSA-N 498.992 5.114 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3c(c2)CCC3)[n+]2ccccc2)C=C1 920395332 YUSFSJLNKOLJOD-UHFFFAOYSA-O 458.607 5.193 30 20 JKED N#CCOc1ccccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 920633096 FRURLXNWMANVHY-UHFFFAOYSA-N 450.903 5.229 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1 920656837 BLDDMVSIZANGEJ-UHFFFAOYSA-N 471.538 5.158 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 920868107 INMRJDUDIXRVSB-KKSFZXQISA-N 474.026 5.200 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 920868674 LEPFYALHWKPFOB-SCLBCKFNSA-N 498.407 5.375 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 920871761 XRSMBMPGTRCVOD-SBUREZEXSA-N 467.635 5.163 30 20 JKED C[C@@H](COCC(F)(F)F)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 921255337 ZAPNDELVPYHMPA-KBXCAEBGSA-N 499.942 5.268 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1343983179 QRBGEXUZTCHLFT-IBGZPJMESA-N 474.929 5.306 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)CCC4CCC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1786263552 ZAAZICHFTWBOGA-QHCPKHFHSA-N 481.637 5.266 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)CCC2)cc1 1786679011 SBONURQIJSTLPK-UHFFFAOYSA-N 455.530 5.113 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cccnc3C)cc2)CCC1)c1ccc(O)cc1 1787322713 NYAJAUGKYAXKTI-JOCHJYFZSA-N 467.569 5.041 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)c(C)n1 1788359135 XBMRXYZTAXHJAX-UHFFFAOYSA-N 493.489 5.045 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)[C@]3(F)CCCC=C3F)CCC2)cc1 1788648810 SYHQWXHLRYHZBI-CJZRDCOESA-N 470.541 5.367 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](C)N(C(=O)OCc4ccccc4)C3)cc2)CCC1 1789215915 HPQQOPRGZFKWHT-GMAHTHKFSA-N 489.616 5.134 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCn3c(O)nc4ccccc43)cc2)CCC1 1790364429 YFWQYCFLEKLUEB-QHCPKHFHSA-N 486.616 5.425 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)cc4)CCC3)cc2)c(C#N)c1 1790474520 JMZVRZNYGZKBCI-UHFFFAOYSA-N 473.960 5.211 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C\c3c[nH]c4ccccc34)CCC2)cc1 1790564087 ZPINVNSSIKEDEF-BZPDREMPSA-N 458.562 5.116 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Br)CCC2)cc1 1790564121 RRLLJBBOLLJJNT-OAHLLOKOSA-N 490.373 5.137 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)cc1Cl 1790608849 KZCZDHBEYZEHRJ-UHFFFAOYSA-N 497.039 5.157 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Br)cc3)cc2)CCC1 1791459097 HROXPCIYQTUQKK-GAVDFCLNSA-N 498.421 5.397 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ccc(Br)cc3c1)C2 1792572691 PTMHRGURPWXVNG-WKCHPHFGSA-N 484.438 5.242 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 1796972556 LBARYWQWVDGOBV-FNLKRUPLSA-N 488.554 5.135 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cc2cc[nH]c12 1797468063 QYHQHCGGUYHKBQ-REPLKXPHSA-N 472.427 5.175 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(F)CCCCC1(F)F)c1cc(F)cc(C(F)(F)F)c1 1797805041 QEQXAZSIJOVZMI-AXVVYFOYSA-N 480.424 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCCCC(F)(F)F)cc1 1800814090 ZBHIKBXZICHHSN-ADYITMSISA-N 478.555 5.428 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(C(F)(F)F)nn(-c3ccccc3)c1Cl)C2 1801639724 WZPITHCFMLUYCT-ONIAQPFYSA-N 494.945 5.009 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c3ccccc3c1)C2 1801695039 NVKZYVUMPPFAPG-BCDXTJNWSA-N 477.349 5.066 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@H]1c1cccnc1 1802493830 YMFOYKRNFNXARK-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1802496283 HRZSRYIYDZNDSA-YLJYHZDGSA-N 475.420 5.095 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](c3ccccc3)C(C)C)[C@H]2c2cccnc2)c1 1803228278 VCRDKKNLRLQTBF-BIYCFNCWSA-N 480.612 5.021 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803997713 BDSBAOYUTPBPPL-DQNMFKJVSA-N 497.561 5.588 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@H]1c1cccnc1 1805698832 SECXBSHSQSCPIE-UYAOXDASSA-N 477.527 5.314 30 20 JKED Cc1scc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c1C 1806055976 TUCBGIZMFXCCMD-XPEQFSOGSA-N 472.614 5.020 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1806089616 WMDZCGXXOAWELJ-URXFXBBRSA-N 474.630 5.088 30 20 JKED O=C(CC1CCCC1)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1806195507 ABBUCUYBGNUSEK-BVRKHOPBSA-N 491.635 5.381 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)C1 1806679237 FXKQCVFDVZZENX-UHFFFAOYSA-N 475.098 5.302 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CCC4(CCCN(C(=O)CCC#N)C4)CC3)cc2)cc1 1809512105 LISKTSKVJCUXPC-UHFFFAOYSA-N 471.645 5.845 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(F)c(F)c3CSc3ccccc3)CC2)C1 1809516983 IFGVKKSMGLYDOZ-UHFFFAOYSA-N 497.611 5.406 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1810177289 DMRNSRVMBXFLFC-LGVFNWMJSA-N 451.998 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(F)c2Cl)[C@H]1c1cccnc1 1811094987 LNTMSRBWAFDYCX-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(ccc4ncccc43)s2)[C@H]1c1cccnc1 1811288137 YYVASKQMRFWBRG-RBTNQOKQSA-N 496.636 5.358 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2ccc(F)cc2)[C@H]1c1cccnc1 1811550505 HAUMRKJGJDDDCE-RGODFAACSA-N 498.602 5.371 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811720461 CUELGCAMWVWIQM-PWUYWRBVSA-N 481.596 5.387 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(Cl)cc2Cl)n[nH]1 1814369610 HEZYELGMRCOTDX-QAPCUYQASA-N 462.381 5.186 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4ccccc4c3Br)[nH]n2)C1 1814397590 NZPOJMCJDMLHKY-NRFANRHFSA-N 493.405 5.598 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)[nH]n1 1814440290 OLQHOOSKXKBECC-IBGZPJMESA-N 489.661 5.088 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)c(OC)cc(OC)c2F)[nH]n1 1814441785 GGFJDDFBPTXSJP-INIZCTEOSA-N 490.551 5.003 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1814441955 KAGVVSCEFSJXIM-INIZCTEOSA-N 452.477 5.320 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)cc1 1814569530 DEUNHBAYYTWABY-HSZRJFAPSA-N 455.562 5.241 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)c1 1814739221 OIGJKORDECJXMT-DEOSSOPVSA-N 490.007 5.192 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)c1 1814739992 QANAUSPUGCHBKA-HXUWFJFHSA-N 497.933 5.152 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1814828727 RFYSIKKUMCVUQI-OAQYLSRUSA-N 485.510 5.374 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c(Cl)c1 1815789401 GSLBWZMMWPNGHO-WWOHXHCDSA-N 498.974 5.435 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[nH]n1 1819308765 AURRYGLWTLMWAG-CMSSDFPGSA-N 487.604 5.374 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820317207 ZSRBNIVYLYZZGZ-VGSWGCGISA-N 461.541 5.129 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)Oc2ccc3ccccc3c2)n[nH]1 1820711989 KJGHGRZHRZBCRA-QHCPKHFHSA-N 492.645 5.332 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)n[nH]2)cc1 1821087638 YCZHGDATLINYJY-OAQYLSRUSA-N 499.468 5.253 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1821145870 HJEMSYDQQAKBMP-VWLOTQADSA-N 499.615 5.397 30 20 JKED CC(C)c1cc(Br)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)c1 1821333507 OOVPPBCXNABXMR-FQEVSTJZSA-N 498.425 5.295 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)n[nH]1 1822288690 RJUJUFDNSUQRON-FPOVZHCZSA-N 462.516 5.192 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1)c1ccc(O)cc1 1822467080 XWIMINKBOJGLJF-PGIKHKOUSA-N 474.605 5.051 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)[nH]n1 1822579841 KKZRNZGEABAXDE-HSZRJFAPSA-N 491.542 5.249 30 20 JKED C[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)CC1 1822943499 CHAXRQIKFXFJAY-JXXFODFXSA-N 453.974 5.067 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1)NC(=O)OC(C)(C)C 1822983150 SJGPEBBNVURXCR-NJVGLYJLSA-N 499.656 5.008 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)c(Cl)c1 1823185370 KPLHZQQLWFWWFL-YXBWYFRISA-N 482.993 5.178 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c1 1823212994 ODFPMFSFEIPYFI-OYHNWAKOSA-N 479.943 5.449 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823216042 NIHNPUPKZQYBLK-ZHRRBRCNSA-N 491.979 5.318 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCC2)CC1)NC(=O)OC(C)(C)C 1823848388 GZZLPIYYVCXDSD-GOTSBHOMSA-N 489.701 5.046 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C)c(Cl)c3)CC2)c(C#N)c1 1823910876 QVXWLMIWNUJEIF-SANMLTNESA-N 494.035 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 1824143213 IGXZYXQSHJNUMB-DEOSSOPVSA-N 468.638 5.014 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c1 1828676046 PYEWCHABDLTUIR-DFBJGRDBSA-N 486.641 5.470 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828827998 BFWHWTFXXMXCAE-JYFHCDHNSA-N 463.622 5.178 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)cn2)CC1 1829069263 TXHUGSTVLGSLRS-NRFANRHFSA-N 476.459 5.070 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2C)CC1 1829653590 YCUPUHCQPUWLNY-NRFANRHFSA-N 479.846 5.058 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 1829678832 WZSSIEVOQWJUKW-MUUNZHRXSA-N 481.596 5.267 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccco4)no3)CC2)c1Cl 1829688663 FYHTWUFDXXVLSD-OAQYLSRUSA-N 492.963 5.007 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829756756 PTCZQOZUMNHQAI-JOCHJYFZSA-N 490.982 5.175 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 1829950545 JUSBYSOAVWCARL-DFBJGRDBSA-N 464.009 5.249 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830407299 GTFARAVWNWVGHU-DHLKQENFSA-N 496.758 5.243 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830409934 ZREZPFIXBZQMAJ-CELHTLPISA-N 489.660 5.578 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1 1830627301 AGUQUCSUHLZVNW-XMMPIXPASA-N 467.972 5.092 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)CC1 1830943748 FHCLWRWDXPDWDI-QHCPKHFHSA-N 465.638 5.402 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831060338 SIKMTPUBTYWZIJ-QFIPXVFZSA-N 499.633 5.026 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@H](C)S)CC3)c2c1 1831838989 JLIVIYBMEUIDLZ-AVRDEDQJSA-N 486.678 5.192 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1832029841 SIARKUVJNMZKRO-MUUNZHRXSA-N 495.667 6.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c(F)ccc(F)c3F)CC2)c1 1832629303 NDNOQSBPEIPDAA-CJAUYULYSA-N 497.561 5.207 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832670205 FPFWPPHDUSJWBZ-DFBJGRDBSA-N 494.035 5.523 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCCCc2ccccc2)CC1 1832862243 HRVWXWRZSRVMLL-SANMLTNESA-N 451.655 5.493 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1cc3occc3n1-c1ccccc1)C2 1844253033 LNUJMCNEMUGDEG-UHFFFAOYSA-N 487.676 5.092 30 20 JKED N#Cc1cccc(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)c1 8645678 IHELCOUNXDJNRI-UHFFFAOYSA-N 451.349 5.513 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1cccc(Cl)c1 10015193 BEANWJYYPJPBDR-UHFFFAOYSA-N 469.998 5.736 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(Cc2ccccc2)cc1 10118172 RRUBMMGRPLNXBT-UHFFFAOYSA-O 498.584 5.533 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(\S)Nc2ccc(Oc3ccccc3)cc2)c1 10172415 WFBABNJHVNVEPT-UHFFFAOYSA-O 481.641 7.249 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(OCC)cc2)cc1 10173992 RQHKZDCBXFJTLO-UHFFFAOYSA-O 453.653 6.055 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10755245 QGVJJFFPVUUJHS-UHFFFAOYSA-O 490.023 7.047 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(O)c2)c(C)s1 11153066 ZVIBQJULXSPPDX-UHFFFAOYSA-O 451.515 5.428 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 12683598 OLMBAMGWIKQDPA-UHFFFAOYSA-N 453.496 5.016 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccc(F)cc1 16835652 KZNIGJRVMLYCJB-ZDUSSCGKSA-N 461.360 5.152 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1-c1ccc(F)cc1 18773135 FYOWTCZFTQZOLM-INIZCTEOSA-N 452.555 5.372 30 20 JKED Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2SCC#N)nc2ccccc2c1=O 21174738 HWZKPXCKVRUKCJ-UHFFFAOYSA-N 472.595 5.041 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NCCc2ccccc2)cc1 22735261 RIJKHGFXHWQQNM-UHFFFAOYSA-O 458.434 5.614 30 20 JKED C=CCn1c(C2CC2)nn(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1=S 23245550 NLZYOJBVLYQROE-UHFFFAOYSA-N 456.619 5.420 30 20 JKED CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 23379086 JJWQKSMVXRAXLS-KRWDZBQOSA-N 467.620 5.416 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23603238 PLMCTAHNWZCQCA-UHFFFAOYSA-O 473.449 6.156 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)c1ccccc1 28609058 YPPLUKMMKQNILG-UHFFFAOYSA-N 488.016 5.686 30 20 JKED CSc1nc(O)c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1C#N 31898809 KGADLVHGUMDIAS-SFHVURJKSA-N 462.962 5.077 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)CO/N=C(/N)c1cccc(CN2CCCCC2)c1 109213545 IVTHEFZMYVFYJY-UHFFFAOYSA-N 450.627 5.195 30 20 JKED CN(C)C1CCN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2F)CC1 112531401 AHLCLHSXKLFQKG-UHFFFAOYSA-N 474.605 5.631 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc12 195662368 CGYUJQBNIWVZPW-GOSISDBHSA-N 475.986 6.057 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)ccc1Cl 195738734 AVDPBSAFVAVLEA-JOCHJYFZSA-N 481.017 5.351 30 20 JKED CN(C)[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1Cl 255949738 FQULSRDOUHVIIR-HSZRJFAPSA-N 450.007 5.537 30 20 JKED N#CCCN(Cc1ccco1)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 303157551 WTKBBCSIZLNUSI-UHFFFAOYSA-N 471.464 5.164 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 481651903 ASLGXLYKDNRFJD-GOSISDBHSA-N 474.536 5.583 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)N4CCc5ccccc54)CC3)cc2F)c1 481738168 FQIUSOBDGFRBRH-UHFFFAOYSA-N 498.558 5.110 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)c2)c1 490435854 SSYGJPXJYPXHOY-UHFFFAOYSA-N 463.468 5.433 30 20 JKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)Cc1ccc(Cl)s1 492252421 KRRHPGPISGHAEC-UHFFFAOYSA-N 452.432 6.384 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc(OC)c1OC 498012175 KEPLFZZXOJQRJY-LJQANCHMSA-N 465.594 5.077 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)nnc2-c2ccncc2)cc1 498104655 BPYWDIJEIFCIIY-JOCHJYFZSA-N 496.640 5.682 30 20 JKED N#Cc1cccc(CNC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 499065200 UECOPXHAPVKSRL-MOSHPQCFSA-N 454.511 5.323 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 500074497 POUOUHUIDKUFCX-QNGOZBTKSA-N 483.553 5.473 30 20 JKED C=CCOc1ccccc1CN(C(=O)Cc1csc(-c2ccccn2)n1)c1ccc2c(c1)OCCO2 500524908 XGHXTLGDOZGZTA-UHFFFAOYSA-N 499.592 5.317 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 501416446 FDOMLBPWZUZFLX-FQEVSTJZSA-N 473.598 5.339 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1 503329568 SJJTUNTWZHXDGC-UHFFFAOYSA-N 490.003 5.156 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)[C@@H](C#N)c4nc(C)cs4)sc3[nH]2)c1 503567941 SSKQFMYNBOOPER-OAHLLOKOSA-N 480.640 5.457 30 20 JKED CCN(C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)[C@H](C)c1ccc(C#N)cc1 504329503 RKOMVDKXIQFUAE-OAHLLOKOSA-N 456.377 5.792 30 20 JKED C=CCN(C(=O)c1cc(F)ccc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 506831464 XTNZLUDNXAQIEM-UHFFFAOYSA-N 462.300 5.453 30 20 JKED CN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCSc2ccc(Br)cc21 509276666 LPOMIPYXVULHKJ-SFHVURJKSA-N 483.353 5.698 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)N(C)C 510022166 BVMLPBFPTVUEEI-LADGPHEKSA-N 462.981 5.428 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1Cl 510046908 ZWLGQFBBAITCOC-DEOSSOPVSA-N 479.024 5.642 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1 510981362 ILKBWNOBXYJSPK-UHFFFAOYSA-N 486.547 5.214 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 511438075 KZPFJJMGNROJLY-UHFFFAOYSA-N 467.928 5.960 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)ccc3I)cc2)cc1 511756511 RVBNMUQEGVLUNF-UHFFFAOYSA-N 458.230 5.347 30 20 JKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1 513214767 PDUQTZNQRHYDKU-FQEVSTJZSA-N 462.431 5.452 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1Cl 514466557 UBDBBFPTZWQMFK-HYBUGGRVSA-N 494.016 5.035 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 517146227 FLWVDESFKOCNJB-IBGZPJMESA-N 467.525 5.236 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCCCN(C(=O)C3CCC3)C3CC3)cc2Cl)cc1 520196126 YIMMJKKLOPDRRX-UHFFFAOYSA-N 466.969 5.307 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1cccc(Cl)c1 521264082 WBFFILQPGISCHK-AWEZNQCLSA-N 455.877 5.121 30 20 JKED C=CCN(C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 521326337 NEBIWGQJAOCLEK-RBUKOAKNSA-N 473.606 5.114 30 20 JKED Cc1ccc(Cc2cnc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)s2)cc1Cl 522870141 IDCNQOCVXJPWJR-UHFFFAOYSA-N 494.020 5.450 30 20 JKED COc1ccc(OC)c(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C2CC2)c1 524441107 SHGRWHPYQBVWLB-UHFFFAOYSA-N 471.557 5.659 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1 559849470 SGUOIGSIOQIEMM-UHFFFAOYSA-N 465.431 5.113 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 586788381 FPZPIHWQFYEFTG-UHFFFAOYSA-N 459.443 5.125 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2sc3c(c2C#N)CCCC3)c(OC)c1 600841220 LFQPLHGJZCYHKT-UHFFFAOYSA-N 484.581 5.621 30 20 JKED Cc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cccc1C(=O)N1CCc2sccc2C1 609056638 WTQPGDKVHJXNCM-UHFFFAOYSA-N 497.576 5.551 30 20 JKED COC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c(OCC(F)(F)F)c1 609066527 PDKRSOIGGRZTJB-UHFFFAOYSA-N 484.430 5.117 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)CC2)c1 609212404 HRFKSUPRWGBLIN-GJZGRUSLSA-N 463.422 5.021 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F 613403578 HDKIPAQNKUYYSW-HNNXBMFYSA-N 460.469 5.231 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618539059 GKUXOHVHXFFAGQ-STQMWFEESA-N 493.370 5.137 30 20 JKED N#C[C@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc2cc(C(F)(F)F)ccc2s1 622976177 CFZWCAUTQCDBPK-GFCCVEGCSA-N 463.893 6.582 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1nc2cc(C(F)(F)F)ccc2s1 642282026 DPRXCDSXGZEZQJ-HNNXBMFYSA-N 475.542 6.554 30 20 JKED CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642441369 YVQJYCNIWCYNMP-GHMZBOCLSA-N 465.360 5.802 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)no2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 648042975 QFJCXHSTQXUDKF-UHFFFAOYSA-N 496.596 5.682 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 725995477 DXAWGHREWMCACQ-CQSZACIVSA-N 480.533 5.651 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cnn(CC)c1 726112412 OLZTZDNOACHQAI-QFIPXVFZSA-N 463.607 5.207 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2c(c1)CCC2 726394618 WHLFUKUGWYLOHV-NTKDMRAZSA-N 479.646 5.177 30 20 JKED Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 726434831 SUKMTQWWDDJSAR-UHFFFAOYSA-N 491.425 5.783 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12 726754481 JXYPDCNMANXWMV-UHFFFAOYSA-N 467.554 5.626 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC)c2cccnc2)ccc1Cl 727746231 IURPUOTZWRXUET-UHFFFAOYSA-N 490.412 5.436 30 20 JKED COc1cc(/C=C2/CCc3nc(-c4ccc(Br)cc4)sc3C2=O)ccc1OCC#N 728438433 FJSANFZRUWYZDB-VBKFSLOCSA-N 481.371 5.696 30 20 JKED C=CCn1c(SCC(=O)OCc2ccc(F)cc2C#N)nnc1-c1ccc(Cl)cc1Cl 728614168 FBZLVSSWTPJHON-UHFFFAOYSA-N 477.348 5.284 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729141514 AVCZVFVXIUXHJH-NRFANRHFSA-N 494.642 5.237 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2C2CCC2)cc1 730460873 HVISLHDZTBDPSN-LJQANCHMSA-N 461.946 5.001 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cc1 730717521 OBBCMWZUMRFKDT-OXJNMPFZSA-N 479.631 5.185 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](OCCC)CC2)c1 730987612 AXSUCVFUPUPYCE-OAQYLSRUSA-N 491.053 5.143 30 20 JKED CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 731061077 UJFZZRHTSBQWCA-SFHVURJKSA-N 496.589 5.021 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)cc1 731192722 LBIQEXLRHIFUCO-JZJYNLBNSA-N 475.570 5.058 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCCOc3ccc(Br)cc3)n2)cc1 731289263 RDASXEDRLFGTLW-HXUWFJFHSA-N 485.403 6.007 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2C)n1 731310732 ONGFDUYGSQRWLL-QFIPXVFZSA-N 495.004 5.218 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O)Nc1cccc(O)c1 731311986 GVEHWWABUHPXFA-XMMPIXPASA-N 482.565 5.101 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc([C@H]3C[C@@H]3C)o2)c1 731316052 QSIDNDPFGSRSHO-DQXHVOOISA-N 499.592 5.250 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccsc2)c1 744407839 GTSJCQXSDJRFHM-UHFFFAOYSA-N 461.008 5.055 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc3cccnc23)c1 744997600 SSKICSLOWJSFGC-XMMPIXPASA-N 498.583 5.843 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc3cccnc23)cc1 744997930 XZNBBRYUIVKFRJ-XMMPIXPASA-N 496.592 5.404 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccccc1F 747599491 JWFLLSCTZOJMSK-GOSISDBHSA-N 474.970 5.096 30 20 JKED COc1c(C)cnc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)c1C 747600076 NFGONCOMENVYIF-QFIPXVFZSA-N 492.576 5.007 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 748638692 OIGXUZUHEKUVGT-UHFFFAOYSA-N 451.548 5.300 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)cc12 768596081 OXSLUYICEDEFJF-KRWDZBQOSA-N 476.533 5.027 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 837285039 HNAFHFZMBYLQER-KBMIEXCESA-N 480.593 5.956 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3ccccn3)C2=O)cc1 837707536 LPWORBRQVWTFKH-HTAPYJJXSA-N 479.005 5.765 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1=Cc2ccccc2O[C@H]1C(F)(F)F 883977552 MVORNLPRXMPZKV-UEKVPHQBSA-N 461.324 5.419 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N(O)Cc3cccc4ccccc34)nc(O)c2c1C 901368012 PEESZINZMIUDPU-OAHLLOKOSA-N 453.589 5.207 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 913120345 HFTOZIZSHDRXSM-QHCPKHFHSA-N 490.585 5.015 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CCc2ccc(-c3csc(C)n3)cc2)C1=O 914551992 QWLGMSCMKRHGQY-NRFANRHFSA-N 499.061 5.082 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCCCCC#N)c(Cl)cc1Cl 914616198 VIJGNLYENHGBAN-UHFFFAOYSA-N 455.363 5.059 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C=Nn1c(S)nnc1Cc1cccc2ccccc12 916278312 GLDXOTRAYBRRJD-UHFFFAOYSA-N 452.587 5.055 30 20 JKED Cc1ccc(Cn2nc(C)c(C=Nn3cnnc3SCc3ccc(Cl)cc3)c2C)cc1 916546074 DHHRHDDCCVSLEJ-UHFFFAOYSA-N 450.999 5.276 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCc1ccncc1 916678791 AJGFOHAKNAINCG-KDYSTLNUSA-N 492.579 6.207 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 916911097 VLKXERITXGGRAB-DEOSSOPVSA-N 487.519 5.233 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 916928115 HORIBODMLWKXON-AWEZNQCLSA-N 484.368 5.273 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1)c1ccccc1 916932561 YPNFYQFYDBAHQM-KBXCAEBGSA-N 454.313 5.490 30 20 JKED N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)C(=O)Nc1cc(Cl)cc(Cl)c1 916944281 ASQGXUWZBPAWHQ-AWEZNQCLSA-N 450.372 5.433 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 917663735 DZRNZSRGKOIASQ-OAQYLSRUSA-N 496.495 5.034 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2C)n1 917664523 JYUSKFNFBKKCNN-QFIPXVFZSA-N 494.020 5.216 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 917665385 XTWNHJOMMBCGNJ-JOCHJYFZSA-N 474.542 5.064 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccsc2)C1=O 917669945 XTVXNUBVRCODNK-NRFANRHFSA-N 465.600 5.226 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(Cc2cccc(C)n2)C1=O 917674574 QNWFRWZNGVCCFS-XMMPIXPASA-N 488.613 5.176 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)cc1 917681324 OSOJZVPQGKMLQK-QHCPKHFHSA-N 458.587 5.113 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccsc1 917695096 QVBWUPLSLUQGEV-HXUWFJFHSA-N 469.563 5.056 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 917697691 JGLKUXNVKFWXEG-UHFFFAOYSA-N 496.032 5.574 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc2ccccc2c1 917700604 LXKMAQRSOCJJIY-FQEVSTJZSA-N 471.504 5.839 30 20 JKED COc1cccc(CN2CCC(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c1 918351444 ZBGSYSFETLQTSY-UHFFFAOYSA-N 471.626 5.254 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 920110740 UZEKEFRYFZCUNX-ZDUSSCGKSA-N 462.185 5.881 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)n2)cc1 920143226 OBORBPLXJJJQCO-SFHVURJKSA-N 498.391 6.590 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1c(C)noc1C 920352571 PKYXRAPMHAKUET-NRFANRHFSA-N 498.555 5.347 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N\C[C@H](O)COc1cccc(Cl)c1Cl 920386712 FFZNEFSZFZRVCB-MKBIVUSUSA-N 497.998 5.083 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 920867240 CMPDATMSRWTXET-HRAATJIYSA-N 474.026 5.200 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)ccc1Cl 921197989 CGOMDHNMCUUSCW-QGZVFWFLSA-N 495.004 5.089 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)COCC(F)(F)F)cc1 921255372 ZYJZWALQZVDJSO-HNAYVOBHSA-N 497.514 5.062 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CCC1 1785785656 JNCQMIXTCRWGTF-UHFFFAOYSA-N 450.391 5.055 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)noc3C)CCC2)cc1 1786364545 ODHRQYCBTNQYRK-UHFFFAOYSA-N 473.573 5.381 30 20 JKED Cc1noc(C)c1CC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1786718379 VWNDDVCXZGDYIV-UHFFFAOYSA-N 496.489 5.172 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1789190284 WQCBQJCUVJMGSB-HXUWFJFHSA-N 481.637 5.124 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)cn1 1789507528 GKWKFOSQPSIDSH-UHFFFAOYSA-N 475.709 5.508 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccc(Cl)cc3)CCC2)cc1 1790563727 KHJQVRKJIBYWSD-ZWKOTPCHSA-N 455.986 5.379 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3O)cc2)CCC1 1790721959 SVAXLKYZLDZPBB-UHFFFAOYSA-N 466.578 5.150 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnnc5ccccc45)CCC3)cc2)c(Cl)c1 1790766749 ASUFJWWOWSQILG-UHFFFAOYSA-N 481.943 5.216 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)cn4)CCC3)cc2)c(Cl)c1 1790767736 JBGJSURCBAPSCJ-UHFFFAOYSA-N 465.340 5.322 30 20 JKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)c1O 1790768444 GSTJHDYNSRCYAY-UHFFFAOYSA-N 483.568 5.043 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(O)c(O)c(Cl)c4)cc3)CCC2)cc1 1790773536 AWQJVIMTFXAGKJ-UHFFFAOYSA-N 489.959 5.003 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ccc(Br)cc34)cc2)CCC1 1790836997 JHASYVLCWQGUGA-UHFFFAOYSA-N 491.389 5.295 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1791560691 CJOXFKSWAZJMDO-OFNKIYASSA-N 481.637 5.008 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc4ncsc4[nH]3)CCC2)cc1)c1ccc(O)cc1 1791642794 VGOMDVCIPJNPMA-IBGZPJMESA-N 498.608 5.275 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cn4cc(Br)ccc4n3)CCC2)cc1 1791729131 XSHWATUOIZAKDY-UHFFFAOYSA-N 493.405 5.038 30 20 JKED COc1ccc(OCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1 1792122615 CVGWLBBAPHWWBB-FQEVSTJZSA-N 483.568 5.149 30 20 JKED CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cn1 1792122619 OWUGBGSJPJMCKI-LJQANCHMSA-N 452.558 5.333 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1Cl)C2)c1ccccc1 1795572907 IXLZZECNBSFXEC-FHBCLOHASA-N 464.009 5.293 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc2ccccc2c1Cl 1797463040 QVRVENRYFBVJRP-OUYFJKQZSA-N 485.030 5.307 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3occ(Cl)c3c2)c(Cl)c1 1799330379 BZUJXKXTRSMMDF-BJWYYQGGSA-N 468.340 5.177 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1803080852 DYHHKZLFWNYFKV-SQJMNOBHSA-N 477.008 5.304 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1803455750 GXIDSDJSRDWMQL-OUTSHDOLSA-N 495.648 5.107 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)cc2F)C3)c1 1803683083 YGVIAAXXXPHXGL-NKGKWGDASA-N 474.363 5.325 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)cc4)CCC2)C3)c1 1803683326 BJOQOTYKTRUEKN-FUJBWUKOSA-N 476.020 5.341 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803997715 BDSBAOYUTPBPPL-RSLSUEHASA-N 497.561 5.588 30 20 JKED Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4Cl)CC3)C2)c(C(F)(F)F)o1 1808402859 SOTSGWAFPMBQMI-UHFFFAOYSA-N 493.913 5.291 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1810488053 BCLUCOHSIIKLQK-GMAHTHKFSA-N 454.014 5.355 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812223040 QPKITVOICGQUTK-BKMJKUGQSA-N 459.615 5.118 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c(F)c1F 1813842969 GNLPKPFMKIEHLJ-RLWLMLJZSA-N 497.662 5.039 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1813863014 BWVYPVMTLKTGBY-RMTQFFFDSA-N 484.625 5.193 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)c[nH]2)cc1 1816101064 CXHSNXLQPJXGLN-AREMUKBSSA-N 492.583 5.399 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1819306893 HZOJJJCNFFSTPT-CYFREDJKSA-N 492.023 5.994 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)noc2CCC)[nH]n1)c1ccccc1 1819519308 QTNRREJRDCTJFO-JTHBVZDNSA-N 487.604 5.162 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3Cl)n[nH]2)c1 1820427655 VCOBSTSGQKZSSS-ZHRRBRCNSA-N 461.953 5.310 30 20 JKED CC(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)[nH]n2)cc1 1820591552 BVRIWLGNTPPBES-DEOSSOPVSA-N 473.552 5.092 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[nH]n1 1821919699 BNMNNOSPYWELQJ-MHECFPHRSA-N 482.588 5.471 30 20 JKED C[C@@]1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CC=CCC1 1822981369 PYJNCOOVTHMINK-GBXCKJPGSA-N 485.510 5.352 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)[nH]n2)c1 1823215673 ZYUFQCNRDICIAI-AAORUROXSA-N 487.526 5.260 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823308980 HZPOWBZSWQOYAN-UGSOOPFHSA-N 499.921 5.189 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2ccccc2C#N)n[nH]1)c1ccccc1 1823386258 AVHLKJULAMNROL-VGKYISKLSA-N 499.615 5.182 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823848543 YZFVYGBEROMTSV-XMMPIXPASA-N 489.701 5.020 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1Cl 1823911406 ZYKCTYXRGDSEID-XMMPIXPASA-N 467.972 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1824144019 ZAGLWOHGLSBTOB-ZEQRLZLVSA-N 489.701 5.068 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2Cl)N(C)C)CC1 1824145155 UNPRGLHBJRNOSP-IZZNHLLZSA-N 486.100 5.331 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1824539928 FCTRRLGNOWVQQP-UXHICEINSA-N 489.028 5.129 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 1824545148 UOIMOFKAKYSRAL-KYDUUQRPSA-N 493.511 5.036 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)n1 1825384972 BECSLGOILAYEHN-IBDYFIJFSA-N 485.675 5.000 30 20 JKED Cc1cc2cccc(C(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)c2[nH]1 1827697936 VGVFKAPQOFXSEA-FOIQADDNSA-N 483.597 5.100 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991348 PINRSOZTZCNHKW-RUZDIDTESA-N 494.035 5.564 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(O)nc4ccccc34)CC2)c1 1828138092 BJDNJOLPRMNLHS-NFQMXDRXSA-N 496.611 5.115 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828223266 CISRWZXJNVLUGZ-IGKIAQTJSA-N 475.633 5.245 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)ccc2n1 1828233303 COIBCKBGUFHMLU-LGGPFLRQSA-N 494.639 5.717 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2O)CC1 1828830513 OIPPUYIONCDCPX-NZQKXSOJSA-N 450.579 5.140 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1828885947 PBMFUZNXYWZCRG-KAYWLYCHSA-N 490.644 5.285 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828979491 WBFIJTRCVVAOEA-FVLDFINLSA-N 477.690 5.132 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ncccc2C)CC1)c1ccccc1 1829029593 CXXPSZSFOBJAKV-YTMVLYRLSA-N 485.672 5.140 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CCC1 1830735156 ZHDKABHDARQSBJ-IBGZPJMESA-N 466.384 5.060 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1)C(F)(F)F 1831060397 OIWVFGGBVDQPNF-JOCHJYFZSA-N 484.518 5.938 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1831307235 PCEURGTZJSSXSN-NIJXNBFTSA-N 490.088 5.500 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1831374624 RHYACZWLAGIVPN-RDPSFJRHSA-N 483.653 5.479 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)C(F)(F)F 1831455642 NDUYKADXCUWFAS-GOSISDBHSA-N 480.424 5.196 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)cc1C#N 1832480440 VUPMSKCTJFRUKQ-VWLOTQADSA-N 477.649 5.159 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@H]3OCCc4ccccc43)CC2)c1 1832629093 ITMZHDLGJGNZGE-RNOQYBQRSA-N 499.655 5.251 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832629599 URDUYTBIWNAJQP-NFQMXDRXSA-N 474.649 5.125 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1832632751 BNWHMDOXKJYLTM-MKKLIPOPSA-N 463.666 5.763 30 20 JKED COc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1F 1832635910 YHGWGLFIHIRXFC-NTKDMRAZSA-N 477.580 5.008 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C)CC1)NC(=O)OC(C)(C)C 1832753963 NFLBXXQJHGTWPX-UKILVPOCSA-N 497.680 5.088 30 20 JKED CC#CC[C@H](C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)CC1)c1ccccc1 1835796436 JQUHCNMHNPFECZ-PMERELPUSA-N 499.699 5.192 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)CC1 1838520679 LLNRQEVJSCHDAV-HXUWFJFHSA-N 489.616 5.252 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Br)ccc3s1)C2 1841319181 GKCXZOAXIJELKO-UHFFFAOYSA-N 473.436 5.249 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1 1847619341 OKGYRZDRXNSZBT-OTYURSNGSA-N 461.993 5.001 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(=O)OC)c2C)[n+]2ccc3c(c2)CCCC3)cc1 10173552 GJRBLKYPQGXMPQ-UHFFFAOYSA-O 490.649 5.198 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10759861 KHZOHPOZQAPVMI-UHFFFAOYSA-O 456.006 6.305 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C(=O)OCC)cc2)cc1 11251465 QBMLGUPFJCYTJX-UHFFFAOYSA-O 483.560 5.432 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 11373584 ICDNVPYYEGNTEC-ZRDIBKRKSA-N 452.532 5.365 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nc2scc(-c3cccs3)c2c1=O 11380226 NIIQBNBCAKGNFL-CQSZACIVSA-N 485.660 5.269 30 20 JKED C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16716330 OWOZDHSUWFUIHR-OAHLLOKOSA-N 463.950 5.231 30 20 JKED C[C@H](OC(=O)c1cccc(OCc2cscn2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 17738371 HZAVSYIPWWGHKW-HNNXBMFYSA-N 481.599 5.108 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 18155127 OWFHPWHQCOTRJD-GOSISDBHSA-N 450.560 5.023 30 20 JKED C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 18518587 HSUFQAMPENRAQY-ZDUSSCGKSA-N 462.966 5.406 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 22082701 AKZNHJCMXHFTEY-IBGZPJMESA-N 495.624 5.292 30 20 JKED COc1ccccc1Nc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 28419603 OIZXJEFIGNOKIW-UHFFFAOYSA-N 471.633 5.223 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)cc1 32061892 UKJCYDUBSVOTOX-UHFFFAOYSA-N 493.639 5.405 30 20 JKED CCCCCCCC/C(Br)=C(\Br)c1nnc2ccc(C)cc2c1Cl 100171292 RQCOTINAPMHLDU-BMRADRMJSA-N 474.668 7.801 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1 255929881 OXAIVVWMJQAZIT-ZIAGYGMSSA-N 462.406 5.191 30 20 JKED CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)[C@@H](C)c1ccc(C#N)cc1 480041863 NFRQDNQHJROBKQ-INIZCTEOSA-N 455.389 5.820 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4noc(C(F)(F)F)n4)cc3)c2)cc1 484308409 ODXDGBLKDWNINI-UHFFFAOYSA-N 450.376 5.672 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 493078998 KZTRKQZIMODFPS-UHFFFAOYSA-N 473.348 5.231 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 505879108 CYQZQAYKYFWTHT-UHFFFAOYSA-N 495.612 5.273 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCc3ccccc3C(F)(F)F)s2)cc1 507749754 TVMJFVPLCGJBOJ-UHFFFAOYSA-N 463.510 5.085 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc(CN3CCCC3)c2)cc1 508281312 RVMRBIOXCYREMR-UHFFFAOYSA-N 456.546 5.277 30 20 JKED C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1nc(-c2ccccc2)cs1 508898929 MVXAEIJABBGSEP-UHFFFAOYSA-N 491.310 5.156 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)c2)cc1 509900788 JWBPDVKLEZATKP-UHFFFAOYSA-N 453.542 5.458 30 20 JKED C[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 511307303 QQLDFTQGDUWMRU-OAQYLSRUSA-N 489.019 5.896 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 511423293 WAKDVJBQRFKQIL-GOTSBHOMSA-N 498.627 5.263 30 20 JKED C=CCOc1ccccc1CN(C(=O)C[C@H]1c2ccccc2CCN1C(C)=O)c1ccc2c(c1)OCO2 512241263 DPEXFBRMYKHSOP-SANMLTNESA-N 498.579 5.049 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)c1nc2ccccc2[nH]1 512489295 OUSMBYIXRHXPIJ-MRXNPFEDSA-N 450.267 5.747 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)n1 516346413 IZKYIVLUEUJJPE-LJQANCHMSA-N 490.972 5.375 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 516383817 SURUGUBZKDPSEC-UHFFFAOYSA-N 496.548 5.387 30 20 JKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 517388282 RVJDFNVIYBAYBV-IBGZPJMESA-N 457.599 5.309 30 20 JKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517466703 SUGLFYCYYJCMSK-CYBMUJFWSA-N 469.916 5.523 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1 517861947 QGULYQOESROEMT-XMMPIXPASA-N 487.968 5.910 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4nc5ccccc5s4)CC3)c2)cc1 517905668 OKPLBIUQSANCOJ-UHFFFAOYSA-N 454.555 6.372 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1 518068978 GDESFPQUICDELN-UHFFFAOYSA-N 461.631 5.105 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)cc1 519912915 QLVKFQLVOSXOMD-LJQANCHMSA-N 469.632 5.350 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1 520197952 VFEGTJBSADMIHN-AEFFLSMTSA-N 450.633 6.704 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc(-c2c(F)cccc2F)cs1 520429357 LVYJNVDTLVOMAN-SFHVURJKSA-N 465.525 6.097 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 521260160 XRRDXEAGZMVNJV-UZLBHIALSA-N 490.551 5.442 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1 523204020 VARQVTLSEQYVGO-UHFFFAOYSA-N 491.994 5.811 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)c(F)c1 523954597 QEYOXNAPWVOMIM-UHFFFAOYSA-N 476.489 5.204 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 524131863 PVJLSHLAOBNIIM-UHFFFAOYSA-N 465.484 5.584 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 524141839 WSPBLQIBGOLZIH-GOSISDBHSA-N 477.561 5.284 30 20 JKED CCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524431319 DPRGTQAKUFTPSF-UHFFFAOYSA-N 479.939 5.307 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 551104519 CHJBMPYYBDBINU-SBUREZEXSA-N 497.020 5.128 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 553008660 ORZXRXRAXOIWBN-UHFFFAOYSA-N 476.499 5.834 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)cc1 590880716 BXGHACQCSUVOCT-LJQANCHMSA-N 463.440 6.469 30 20 JKED N#C[C@@H](C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 603613794 UXKDLSTYQCYAGT-ZDUSSCGKSA-N 476.297 5.286 30 20 JKED Cc1nc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)sc1SCC#N 603775804 WSWQWTKEVQDYQK-UHFFFAOYSA-N 468.554 6.065 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(CN4CCOCC4)c3)cc2Cl)cc1 604090327 UIGMWYIXEPLNTJ-UHFFFAOYSA-N 476.964 5.158 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)c1 604090622 ZTEXBPULRYROQV-UHFFFAOYSA-N 488.975 5.692 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604137983 DVCAJCSLAPVCNP-NIYFSFCBSA-N 470.573 5.711 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)s2)cc1 604468706 KGAXLHOREPJUDV-UHFFFAOYSA-N 468.567 5.293 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)c2)c1 608994392 LEOWUQABJQECHF-QHCPKHFHSA-N 478.911 5.208 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609063596 FWCASVJLYWXTQI-OAHLLOKOSA-N 451.866 5.105 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Cl)c(Cl)c1 609088455 ADNRVPHORWOGQT-HNNXBMFYSA-N 456.276 5.063 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609107187 WUOCOLUGMRDJNQ-DEOSSOPVSA-N 479.939 5.323 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc(-c3ccccc3)nc21 613404454 NNPMTNARANAXIS-QGZVFWFLSA-N 491.498 6.237 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 622501010 DULSDVQJUCVUMS-GOSISDBHSA-N 487.375 5.263 30 20 JKED C[C@@](O)(C1CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F 622515756 DIHOFYIYFUCCCB-HXUWFJFHSA-N 463.393 5.677 30 20 JKED C=CCc1cc(CNC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(OC)c1OC 622949869 WFRHSPGGWKTGMA-ZSHCYNCHSA-N 468.438 5.141 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 642500641 BMDSLPDAYJGTLY-BGYRXZFFSA-N 465.594 5.327 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccc(C)cc2)cn1 726110911 IEUKHBKYKSPVEE-JOCHJYFZSA-N 496.036 5.334 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 726117501 ZHWSBHHAYICLRD-IIBYNOLFSA-N 481.647 5.303 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N\[C@@H](C)c1cccs1 726420650 LZULSLLUVHRDOK-GVIWJULOSA-N 479.599 5.086 30 20 JKED C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 726471489 ODFIPPQRKUFXMJ-AWEZNQCLSA-N 452.942 5.651 30 20 JKED COc1ccccc1/C=C/C=C1/CN(c2cnccn2)C/C(=C\C=C\c2ccccc2OC)C1=O 726744243 YMQUTXMTYBJKJZ-DMKCHJFSSA-N 465.553 5.163 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 726942232 UIELOBLPKZZWEY-UHFFFAOYSA-N 453.951 5.010 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cccc(C)c2C)cc1 729668119 BXYWMDAEJCONAE-UHFFFAOYSA-O 479.622 5.925 30 20 JKED N#Cc1ccc(CNC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)c(F)c1 729837450 ZWQTZIPDDWYMBR-UHFFFAOYSA-N 492.626 5.896 30 20 JKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2COc2c(C)cccc2C)cc1OC 730566680 DEGROLSAQKRVCK-UHFFFAOYSA-N 460.987 5.096 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 731030988 NSSDGYUVBPPKJB-FCEUIQTBSA-N 486.682 5.131 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12 731064187 ULDMUKYIRVDKKC-QGZVFWFLSA-N 458.539 5.562 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731078615 RKNDXEIZGOIWKF-CABCVRRESA-N 465.402 5.606 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1F 731306580 AYBVNHIJNZAPHZ-HXUWFJFHSA-N 469.563 5.062 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN2CCC(C#N)CC2)c1=S 747079092 USXKVKNTKFIVKO-BVOGOJNSSA-N 469.630 5.322 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccnc(Oc3ccccc3)c2)n(Cc2ccccc2)c1C 749290364 BZFDVTHONKTVGA-UHFFFAOYSA-N 480.524 5.008 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C1CCN(C2CC2)CC1 838191651 IBLBFMZPBRJJRX-VWLOTQADSA-N 490.673 5.145 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1F 838228807 AEFIKDPJTGTGKK-VGSWGCGISA-N 462.550 5.251 30 20 JKED C=CCC[C@H](NC(=O)[C@H]1CCN(C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 849568722 PVAOXHLPROTOFA-VABKMULXSA-N 462.560 5.077 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N(O)Cc1cccc2ccccc12 901371940 YBALBXCWBOIRCH-UHFFFAOYSA-N 454.452 5.017 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCCC#N)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 904509965 ZVCFUMWBIVYCKW-GOSISDBHSA-N 453.474 5.323 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2Cl)c(C)s1 914694934 YXRVRAFERXGXDV-ORAYPTAESA-N 462.040 5.380 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 915085897 PRQLRRFYZQOYBS-XMMPIXPASA-N 451.482 5.205 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 915352922 KPGRXNPUMVZLMX-ABSDTBQOSA-N 469.429 6.373 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2)c1 916205941 MMPWQBOAPVLUML-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1 916206582 PJONQIUWHHDZNG-HXUWFJFHSA-N 475.536 5.952 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1F 916206687 TUGDDEFEYOETMM-SFHVURJKSA-N 478.387 5.349 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccccc2F)c1 916207275 YKEDYWKIHYNAOY-QHCPKHFHSA-N 493.560 5.003 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 916211616 QGAWIOPHTIQVNZ-IBGZPJMESA-N 497.514 5.231 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)cc1 916211965 IHDPXUYIEBUONN-HXUWFJFHSA-N 475.536 5.917 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccccc2)cc1 916213417 CMYXFGXBRSBXDB-XMMPIXPASA-N 487.581 5.058 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(C3CCCC3)C2=O)c(OC)c1 916215440 VSBVCVVNLMNKAM-OAQYLSRUSA-N 488.009 5.260 30 20 JKED O=C(Nc1cccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 916546345 MLTGEZXJJQXSBH-UHFFFAOYSA-N 482.396 6.012 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)cc1 916910831 CEGRKYUNOXEJLO-XMMPIXPASA-N 489.535 5.263 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 916916310 WWMCOXNSMYYBAC-XMMPIXPASA-N 457.505 5.382 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc12 916942798 PDVRXSDWDOLTRE-LJQANCHMSA-N 483.380 5.723 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975437 COKLWUBUDMKFMU-UXHICEINSA-N 484.046 5.500 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 917036038 IDSOBTFVESKYSY-ILBGXUMGSA-N 479.001 5.196 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(Br)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1 917043785 OPGZCPAWTOXAOM-CCRVJLMDSA-N 469.257 6.106 30 20 JKED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)c1ccc(Oc2ccccc2)c(F)c1 917144875 QDEHUNKUZAVLJO-KBOKABMXSA-N 474.941 5.032 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc3c(ccc4ccccc43)o2)cs1 917560425 YEOXUSTVISMZRK-FMIVXFBMSA-N 472.953 7.277 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/S/C(=N/C3CCCCC3)NC2=O)cs1 917564132 XRISUUNRBGNSKS-WOJGMQOQSA-N 461.012 5.374 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)cs1 917564207 ZEYUOXRCEIJKLW-ZROIWOOFSA-N 466.006 6.368 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cs1 917644834 NAXLNBMIDKBXCA-VXLYETTFSA-N 497.026 5.759 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1 917805449 RUVMUEHGSZLGOQ-PNHLSOANSA-N 497.642 5.417 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)C2)c1 918126449 BMGOAJVTGBCYNC-BVAGGSTKSA-N 452.558 5.533 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918548116 LRPFKIRZQOGVIB-AREMUKBSSA-N 467.548 5.968 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)O[C@H](C)C(=O)N1c2ccccc2Sc2ccccc21 919170656 BIMOSVQODSDGSA-GOSISDBHSA-N 488.565 5.487 30 20 JKED O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 919933199 XGHHXZVHIOSUPM-RYUDHWBXSA-N 459.312 5.094 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(COC(C)C)cc2)c1 919997954 WZZRRBLWEDCAEH-UHFFFAOYSA-N 499.032 5.899 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920017120 JJWRYIMWBWTTBM-GFCCVEGCSA-N 463.342 5.756 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 920101436 AESGHETZXNCPOZ-MRXNPFEDSA-N 469.335 5.242 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 920106215 VFJQZNFUYHVMNQ-SFHVURJKSA-N 467.472 5.753 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2c1C 920110691 GHSTTXGCWSGZMI-HNNXBMFYSA-N 479.414 5.445 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(F)cc3Br)n2)cc1 920138844 KXLWIFAMLZBRON-LRDDRELGSA-N 475.339 5.364 30 20 JKED C=CCN(C(=O)COC(=O)CCc1nccs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 920637236 HHZPJLSBIZHMAL-UHFFFAOYSA-N 482.414 5.268 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1 1785799437 AZMIBTIRRZLJAO-YLJYHZDGSA-N 491.579 5.025 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H]3C)CCC2)cc1 1786546273 NLKGLDHXFXCJRQ-COPCDDAFSA-N 469.626 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)cc2)CCC1 1786580757 TYJZWJJBMOBXMU-HSZRJFAPSA-N 492.616 5.157 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)no1 1787546191 RTKIJNKTLJBVQD-ZHACJKMWSA-N 463.559 5.046 30 20 JKED C[C@H](c1ccc(CC(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1)C(F)(F)F 1787888902 MQDOWUJFPLMFMZ-QGZVFWFLSA-N 457.496 5.333 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nccc5[nH]ccc45)cc3)CCC2)c1 1788466584 FIISDATYAMQMNQ-GOSISDBHSA-N 463.541 5.251 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1788509124 MNTPIAQKHFOSSE-UHFFFAOYSA-N 497.986 5.483 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CS[C@H]4CCCCO4)cc3)CCC2)c1 1789549247 FQMDVZOEIGPPHA-DFBJGRDBSA-N 477.630 5.321 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)c(Cl)c4)cc3)CCC2)cc1 1789739847 SADGVCCUMYNPEF-UHFFFAOYSA-N 479.367 5.516 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccnc4)[nH]n3)cc2)CCC1 1789802056 UCGJEUIMECGANF-UHFFFAOYSA-N 457.578 5.212 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1790511534 PTBOJZROWAVHFU-PKTZIBPZSA-N 480.992 5.087 30 20 JKED Cc1cnc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)s1 1790764009 KOMJZIZXCHSFTO-UHFFFAOYSA-N 450.951 5.038 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc(C(F)(F)F)c1 1790817226 GBOMHALYVYXBRE-FJEPWZHXSA-N 499.489 5.174 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5sc(C)cc5[nH]4)cc3)CCC2)c(C#N)c1 1790879437 QSPHIEONSADNNE-UHFFFAOYSA-N 498.608 5.409 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1)c1ccc(O)cc1 1791646591 CVQMCMMYESZPEV-RTWAWAEBSA-N 480.555 5.459 30 20 JKED COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cc(C(F)(F)F)c1 1798420851 PDJYEEGVABDDCR-WKCHPHFGSA-N 494.630 5.017 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3cccc(OC)c3)c1)C2)c1ccccc1 1798552990 FMNYHIMPAVHLIQ-RVUATISTSA-N 495.623 5.139 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1oc3ccccc3c1C)C2)c1ccccc1 1798554708 UNBAQJOWPFSEAG-AANQFLQQSA-N 454.570 5.190 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)C2)c1ccccc1 1798555495 QPUDUMQMQVSSLZ-TXKDOCKMSA-N 460.643 5.003 30 20 JKED N#Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)cc1 1802388167 MICXFYCDDKJJBE-VIZCGCQYSA-N 488.591 5.059 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1802496118 KAXZNGBWFXPLHI-XTEPFMGCSA-N 469.629 5.476 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3sccc3OCC)C2)CC1)c1ccccc1 1804696691 DUIFIHHXKRIQCY-QHCPKHFHSA-N 478.658 5.189 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1806089617 WMDZCGXXOAWELJ-XUZZJYLKSA-N 474.630 5.088 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C(C)(C)Oc3ccc4ccccc4c3)[C@H]2c2cccnc2)C1 1807480952 HBGDYPSYPRKGOO-SHQCIBLASA-N 483.612 5.064 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 1808976071 NVLKDDBPFYCJIW-RBJSKKJNSA-N 474.564 5.048 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 1808976079 NVLKDDBPFYCJIW-UFHPHHKVSA-N 474.564 5.048 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1809335782 FZKLVMMSPSUOLD-RCZVLFRGSA-N 474.630 5.088 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809441960 RDKSMWPXKOHBRP-CLOONOSVSA-N 498.048 5.252 30 20 JKED C[C@H](CC(=O)N1CCC2(CCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)CC1)c1ccccc1 1810345392 HDHJLTWTLYHJMM-LJQANCHMSA-N 498.549 5.011 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cccc(Cc4ccc(F)cc4)c3)[C@@H]2c2cccnc2)C1 1810469908 OVSKZBNCWKSIDR-LSYYVWMOSA-N 483.587 5.097 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nscc23)[C@@H]1c1cccnc1 1810503136 OJIDIKBHYKRIRF-AUSIDOKSSA-N 462.619 5.003 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811723455 ZPVJWQWKADCYEN-OFVILXPXSA-N 491.538 5.405 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1811865655 MVRQYECDMVKZKA-SKVJQKLOSA-N 486.660 5.160 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccnc1 1812039638 QPGYZYYKBLKXBO-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812303059 POXRICDNRBBFAU-DWACAAAGSA-N 479.580 5.494 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CCC3)[C@H]2c2cccnc2)cc1 1812514435 SAJGYTPJRARKLY-ZEQKJWHPSA-N 499.014 5.048 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1812521688 BQXQBAFYKAAQJI-QPPBQGQZSA-N 493.051 5.193 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1812671690 GJTYHMKURSEDGV-DHLKQENFSA-N 491.538 5.405 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1)C(F)(F)F 1812682329 OAAXDFUPLHPZTK-ZCYQVOJMSA-N 487.566 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1812830878 NEAZNDCFLBFODZ-BDYUSTAISA-N 461.650 5.446 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1813941718 OBAUIKAHPSGWLE-VGOFRKELSA-N 475.967 5.325 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)n[nH]2)c1 1814723281 PGOJWOJNCBSECJ-GIWKVAMASA-N 485.563 5.285 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4cccc(F)c4)CC3)n[nH]2)c1 1815621855 YESPDLVZLUXMGY-KOSHJBKYSA-N 485.563 5.214 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNc2ccccc2C)n[nH]1)c1ccccc1 1817427385 XPVIQAUUWRVVPV-JYFHCDHNSA-N 483.616 5.020 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1)C(F)(F)F 1817764982 WDSAWVXREUZANE-IBGZPJMESA-N 487.457 5.035 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c1 1817828162 KGOBFMDOSLJTGO-MGPUTAFESA-N 473.558 5.464 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)n[nH]2)c1 1821288201 IORXGIRKYGVPTM-LJQANCHMSA-N 486.334 5.347 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3sccc3c2O)n[nH]1 1821505726 DXPABRYJRNRSKT-OXJNMPFZSA-N 464.591 5.404 30 20 JKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)[nH]n2)CC1 1822098115 BJQJXNIGCDPLHB-APTRMMRNSA-N 461.610 5.123 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)cc(C(F)(F)F)c1 1822961604 XKOBPYJSFMGMPW-LCSKWRJPSA-N 499.537 5.576 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 1823750556 NPSNDECQBLVQED-HXUWFJFHSA-N 465.560 5.326 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1823753790 IHMSVKSNXRKOIW-XMMPIXPASA-N 453.602 5.533 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c1 1823939751 JFDOMAFJTXNWNZ-BVZFJXPGSA-N 481.999 5.653 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 1824030517 CKMAPJINVWNMDI-GSDHBNRESA-N 452.614 5.317 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1824139328 LBHMCXPWXAZQDD-MHZLTWQESA-N 474.645 5.607 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1 1824234938 DIGLGQWCCYEBCS-BDYUSTAISA-N 454.655 5.029 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1)c1ccccc1 1825404459 KFHSJVMALCSPNG-AZGAKELHSA-N 493.598 5.450 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)CC1 1826321998 QIUKCBOCQHIYIX-DEOSSOPVSA-N 489.582 5.900 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccsc3)CC2)c1 1827105234 RCRQGXVGYBXZKB-NBGIEHNGSA-N 463.647 5.241 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)oc2ccccc12 1828126835 BUNOKNBGTBCJHN-DEOSSOPVSA-N 455.558 5.160 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828150387 PZOLVINQNYTTEO-VXKWHMMOSA-N 462.059 5.009 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cnccc4c3)CC2)c1Cl 1828203803 AIDSMISRBKHHDP-VWLOTQADSA-N 487.003 5.307 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828414765 IQFYVDXIJXFKES-HYBUGGRVSA-N 456.593 5.516 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 1828497158 HLHXXYMMAQODTI-GGAORHGYSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828828081 CWEAVELTUBWEBO-FSVJATIDSA-N 489.660 5.578 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1828886008 TYERXOWUYJEHHC-RRPNLBNLSA-N 492.635 5.299 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(O)cc3)CC2)CC1 1829068499 ZITJWZFMZMRMAS-DEOSSOPVSA-N 452.639 5.036 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1829099233 DDITXTGAKXNOST-SANMLTNESA-N 489.685 5.395 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829955660 OEYUJBAGHVRSIR-RUZDIDTESA-N 475.658 5.201 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830169002 FINZNGZFANPAQB-CUNXSJBXSA-N 492.660 5.208 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1830607178 ZETQKJXVVWXMLH-XMMPIXPASA-N 481.637 5.070 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)CC1 1830632642 STSKKLQLNOVELR-SANMLTNESA-N 463.666 5.592 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(OC)cc2)CC1 1831200139 RAFKEAPDZLRNPW-OCGNDDQESA-N 464.650 5.487 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1831369886 GFBHRDCHKTWNEP-LVXARBLLSA-N 475.633 5.203 30 20 JKED CCCCC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1831471763 NVEMHBVDOTUFRP-ISRFRVOZSA-N 458.668 5.323 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)cc3Cl)CC2)c1 1831772873 AXUWUJLSWKSJRT-QLUGYHCRSA-N 495.982 5.003 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1831858593 YKEKMUDGHBGVDG-RUZDIDTESA-N 481.036 5.728 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)CC1 1831859206 HODOEJFOXDHEAU-DEOSSOPVSA-N 493.648 5.163 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1832634711 YYCSSNRYMCDBSM-CLOONOSVSA-N 489.019 5.386 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832635753 QWVSHPBRIZYEKC-RZIGYZOXSA-N 482.628 5.488 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832635933 ZBHQZEGINCQRNZ-SIBVEZHUSA-N 494.035 5.523 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1832799306 GNRWMCSLHXKHMZ-WXFUMESZSA-N 489.582 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ncccc23)CC1 1832865260 GXRKAFKRYVWGPR-XMMPIXPASA-N 464.654 5.108 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C)C2 1844203793 LOXMBGKTFVEWCF-OAQYLSRUSA-N 481.637 5.236 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc3c(Cl)cc(C)nc3c1)C2)c1ccccc1 1844335998 QOGLNOAQCQQVCO-HSZRJFAPSA-N 486.015 5.211 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2cccc(C)c2)c1C 10173631 QVZLZMNTTQNMOT-UHFFFAOYSA-O 464.611 5.017 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1cccc(Cl)c1 10830398 IOHKWFFRZORQDZ-UHFFFAOYSA-O 464.825 6.548 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 11196846 RVHWPEOETXSDRZ-HJPURHCSSA-N 453.999 5.123 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2CC)c1C 11259052 FYUOMDIMNUGYHB-UHFFFAOYSA-O 499.056 5.671 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1OC 14809742 SHCVMDONAILQLY-YRNVUSSQSA-N 486.446 5.776 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cs1)c1ccc(F)cc1F 15188061 HOEQUOKLGZNFBM-SOFGYWHQSA-N 452.404 6.021 30 20 JKED Cc1cccc(-n2c(SCC(=O)Nc3sccc3C#N)nc3cc(Cl)ccc3c2=O)c1 20919672 ANDRTTWGAYZPHL-UHFFFAOYSA-N 466.975 5.012 30 20 JKED C=CCn1c(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)nnc1-c1ccc(F)cc1 22162696 CDZBBQLBVLGWCD-UONOGXRCSA-N 481.622 5.546 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(CO)c1)c1cc(F)ccc1F 22695171 WCBDXADEVDUIPF-UHFFFAOYSA-O 468.332 5.102 30 20 JKED C[C@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(C#N)cc1 26115604 VKIPKSOVELXIAA-HNNXBMFYSA-N 488.396 5.086 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793389 IMUCVMVSWNFHDM-UHFFFAOYSA-O 490.693 6.593 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(F)cc3I)c2)c1 32291483 VJKIXHZJTRPMDQ-UHFFFAOYSA-N 472.257 5.133 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 32787960 BZDLLUWXLGZRPT-CQSZACIVSA-N 491.495 5.101 30 20 JKED N#Cc1cc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1OCC(F)(F)F 107568153 QUSCJFMOZUCBHK-UHFFFAOYSA-N 454.408 5.396 30 20 JKED C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 108415796 LOKPJKJICZAHJF-ZACQAIPSSA-N 470.614 5.080 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 108732558 SIRIFZLCOLXATO-UHFFFAOYSA-N 482.289 6.044 30 20 JKED C=CCN(C(=O)CN(C)C(=O)c1cccs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 116874340 LFWVOPFCQWFLNT-UHFFFAOYSA-N 466.415 5.470 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 195662589 VTCNGFMLGIUERZ-GOSISDBHSA-N 482.396 5.733 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 302944689 MDXJHDLIFSPKEH-MBSDFSHPSA-N 478.017 6.003 30 20 JKED C=CCN(C(=O)c1ccc(CS(C)(=O)=O)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 303095399 FMOSFYQQWNGJNN-UHFFFAOYSA-N 471.387 5.087 30 20 JKED C=CCn1c(SCC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 409560046 ADVISEMWYWJRPO-NZQKXSOJSA-N 483.037 5.161 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccc(Cl)c1 481443805 ITKXXXQWFPYDIZ-QFIPXVFZSA-N 465.912 5.136 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cccc(Br)c3)cc2Cl)cc1 484121057 YIEKQQOPJXBNMT-UHFFFAOYSA-N 484.737 5.021 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 487997497 RBAWRRUKNCMIIK-HSZRJFAPSA-N 488.538 5.309 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc(C3CC3)nc21 490654445 YACJLKCOKCZLHC-UHFFFAOYSA-N 465.557 5.787 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500031912 DQVFWOOBKHVFOJ-UHFFFAOYSA-N 475.577 5.092 30 20 JKED C=CCN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 503098704 BZWVTBWRHOIBGH-RPWUZVMVSA-N 488.634 5.690 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 508257207 GPDGARAVYPGYFF-XMMPIXPASA-N 471.492 5.143 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 508302241 PEERMJMTGNUFAC-UHFFFAOYSA-N 482.993 5.424 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 508774318 MFADQZWEIVKOCG-UHFFFAOYSA-N 483.490 5.678 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1ccco1)c1ccc(F)cc1C 512305934 XLXXMICPWTZNOW-UHFFFAOYSA-N 487.325 5.372 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513213472 GXRMAAYLBXGXCN-FQEVSTJZSA-N 462.431 5.452 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc12 516332295 NMWBVUTYVNJISQ-SFHVURJKSA-N 459.531 5.543 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1Cl 516346831 UAJMSBQXERRRRD-BBVWWWHTSA-N 487.987 5.218 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 517447287 GCYQZXRPPFFYQJ-GOSISDBHSA-N 461.543 5.455 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2C)cc1 518743231 RVKSUKYDTNTCFI-SFHVURJKSA-N 495.626 5.451 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)CC1 519022885 WRCHVKQOQMXBHS-HSZRJFAPSA-N 450.995 5.284 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2Br)no1 520077250 HJGWNNCIVRMUSS-SFHVURJKSA-N 494.370 5.938 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c(C#N)c(C)c1C 520099821 VTEIFQRBIJUZTE-UHFFFAOYSA-N 452.967 5.237 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1C 520458102 VUJGLKXGAAAQPP-UHFFFAOYSA-N 469.589 5.139 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 520544348 AMDFJMJKELMZRZ-HSZRJFAPSA-N 478.980 5.724 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 521079663 DEYYUZFBFHDEOH-MHZLTWQESA-N 455.558 5.257 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 521100523 BTBLCJWACUQSEY-UHFFFAOYSA-N 474.358 5.401 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1C 521313987 KMVLBZDENYCARM-RUZDIDTESA-N 476.024 5.301 30 20 JKED C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2[N+](=O)[O-])C1 521800462 NKWYJGKOXXOEQT-KSZLIROESA-N 452.580 5.724 30 20 JKED C=CCc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc(OC)c1OC 523239574 PXYNJUGLHQOYNR-SFHVURJKSA-N 467.953 5.156 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1Cl 523582203 ZWWDXUWMTIYURL-NRFANRHFSA-N 482.927 6.363 30 20 JKED CCC(CC)CN(CCC#N)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 552507888 SEPIIJDQKZFZPP-UHFFFAOYSA-N 465.978 5.072 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cc1csc(-c2cc(Br)ccc2OC)n1 557915881 LYHNVHRPTMIESC-UHFFFAOYSA-N 454.393 5.641 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 588349105 VTEANDNEDATRPH-FQEVSTJZSA-N 459.914 5.997 30 20 JKED CC(C)Cn1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1F 589883920 HFHPVPDCRRRVAT-UHFFFAOYSA-N 469.611 5.283 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccc(OC(F)F)cc1 595869123 BHBDTXKZHQGURJ-KRWDZBQOSA-N 485.903 5.444 30 20 JKED C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1)c1ccccc1 603624124 SATSQOKBVFTQRE-IBGZPJMESA-N 498.564 5.037 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1Cl 603673422 VIMRKKANZUGBOM-JOCHJYFZSA-N 470.960 5.992 30 20 JKED C[C@@H](SCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 603758696 BHCBDEZAWORUHD-OXQOHEQNSA-N 460.990 6.305 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604362481 LMZPWYRMBPJFDO-FVQHAEBGSA-N 485.428 6.690 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2ccc(C#N)cc2F)c(OC)c1 609217024 RYHUEIFZDNPKQK-UHFFFAOYSA-N 457.505 5.458 30 20 JKED CCOc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2F)c2c[nH]c3ccccc23)cc1OC 609252573 CBGVGTRANGSSHM-JOCHJYFZSA-N 486.547 5.217 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)n2)cc1 612941639 JFUMVWHQWFGWPM-XMSQKQJNSA-N 479.627 5.029 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613403929 IINMJDDDRNEGBN-GOSISDBHSA-N 480.471 6.449 30 20 JKED C=CCn1c(SCC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)nc2sc(C)c(C)c2c1=O 613899883 AFJIAMHWSBUSGN-HNNXBMFYSA-N 459.612 5.102 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)nnc1-c1ccc(F)cc1 613937898 RRPPZYMDLAFZBB-QFIPXVFZSA-N 466.582 5.125 30 20 JKED O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618300812 FXKZKJCXLCLNHC-UWVGGRQHSA-N 477.302 5.233 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726321054 CUQBKLGJJJOULR-OAHLLOKOSA-N 459.449 5.189 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726422263 VZZYDSVXQPPKGN-WJHGXSDNSA-N 492.601 5.349 30 20 JKED Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727267638 YUJSSCJRVQAXRV-ZHACJKMWSA-N 479.876 5.922 30 20 JKED COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062008 GHTSPHAHLFLYBV-QZTJIDSGSA-N 463.965 5.477 30 20 JKED C=CCN(C(=O)/C=C/Sc1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 728189189 FWGGFOCQNRKRNZ-FYWRMAATSA-N 456.614 5.039 30 20 JKED COc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1NC(=O)OC(C)(C)C 728267407 JSXMVDOEEZDLIY-UHFFFAOYSA-N 460.534 5.574 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 728422815 GXOBNNNHVBVMPK-YADARESESA-N 483.597 5.292 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2CC(F)(F)F)cc1 728424159 VHOVDWCWGQYQOR-IBGZPJMESA-N 474.508 5.204 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CCCCC#N)C2=O)c1 728777058 XNBHAXFQRRYIBF-RUZDIDTESA-N 484.625 6.111 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)c1 728779589 KCFRDPBYXHAUDT-RUZDIDTESA-N 480.593 5.475 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\[C@H](C)c1cccs1 729146636 VFRAQZHKCRRFGT-QYCGEHNKSA-N 470.645 5.103 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 729630634 CAMFRCAREXCEON-OAQYLSRUSA-N 498.530 5.569 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730942270 KUDNTKNQOMFTKC-XUZZJYLKSA-N 486.641 6.037 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl 731077564 LUQJOMXQLJGOMR-HUUCEWRRSA-N 465.402 5.748 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c1 731312756 OTPYLAOIDWKYMN-HOYKHHGWSA-N 488.613 5.632 30 20 JKED Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)c1 746346329 PKLJEDRSZGWGQS-PMJBJKLVSA-N 458.606 6.267 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3c(C)nn(C(C)C)c3C)cc2OC)cc1 746347117 XUYQJGRNPZLJKK-LCYFTJDESA-N 462.546 5.351 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(F)c1 746697828 MVAMLQDSKFRFFW-NRFANRHFSA-N 475.561 5.050 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 749668531 ZZJXATDGEOMKRM-PXDATVDWSA-N 459.590 5.477 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)c(Cl)c1 799212299 HDKWSAOYZMHIJP-MRXNPFEDSA-N 458.317 5.252 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CC(F)(F)F)C2=O)cc1 799212781 YFWRVDNFUDBRFU-GOSISDBHSA-N 483.487 5.137 30 20 JKED C[C@@H]1C[C@@H](C=Nn2cnnc2SCc2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C 807957847 ADJWDJRGBMGMQI-WBVHZDCISA-N 450.008 5.093 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837446818 NOWIBZUTKCPPJW-MBSDFSHPSA-N 476.577 5.559 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2cccs2)C1=O)Nc1ccccc1 837673648 NAVFMFPMZSDPOE-IBGZPJMESA-N 487.553 5.510 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1F 838231773 ZMTJTXOHXNYUQJ-OPAMFIHVSA-N 480.540 5.390 30 20 JKED C=CCOc1c(Br)cc(CNc2ccc([C@H](O)C(F)(F)F)cc2)cc1OCC 864043061 GCMKFIXYTLJHRK-IBGZPJMESA-N 460.290 5.620 30 20 JKED Cc1cc(COc2ccc(C(=O)N(O)Cc3cccc4ccccc34)cc2Br)on1 901369380 BMBZBWFYWUILOW-UHFFFAOYSA-N 467.319 5.509 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H](C)c2cc(C)sc2C)C1=O 914692449 YJWVWFPMUWDNRN-DIFFPNOSSA-N 470.447 5.501 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)cc1 915086330 TWGRIGLZDRGRCI-JOCHJYFZSA-N 489.578 5.162 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1 915099916 GOFXEPLWOAJGKS-HXUWFJFHSA-N 460.584 5.281 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 916209203 GNTRGTILTXQGCK-HXUWFJFHSA-N 468.941 5.035 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F 916212572 YKIWJQIZBVYITO-LJQANCHMSA-N 479.499 5.747 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3Cl)N(C3CC3)C2=O)c1 916215424 VIKGPXPWINBPKH-LJQANCHMSA-N 494.400 5.133 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C=Nn1c(S)nnc1COc1ccc(C(C)(C)C)cc1 916320978 QBGYDQMBRMGZST-UHFFFAOYSA-N 474.634 5.187 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3ccccc3)n2C2CCCCC2)cc1OC 916622621 CRRVFJJWQHADTG-OAQYLSRUSA-N 476.602 5.436 30 20 JKED COc1ccc(-n2c(SCC(=O)[C@@H](C#N)c3ccccc3)nnc2-c2ccccc2Cl)cc1 916622676 GJFFXYCBUPARIL-NRFANRHFSA-N 474.973 5.565 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(Br)cc2)o1 916907187 LKYNXHDQZYQDNN-OAQYLSRUSA-N 495.373 5.707 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916911187 WGRINKFHAVRROA-IBGZPJMESA-N 473.941 6.217 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916919234 UYTNLNVPMFJVQF-OAQYLSRUSA-N 498.995 6.222 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 916952946 PDEBTNJNWSGYGJ-NRFANRHFSA-N 482.323 5.215 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc2ccccc2n1C(F)F 917040297 KMTXWKBDPLLSKZ-SLWQEBJJSA-N 453.901 6.703 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(C)nn(-c3ccc(Br)cc3)c2C)S1 917145819 SFRFATOCUBVOBD-UDWIEESQSA-N 481.419 5.760 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc(-c2ccccc2)cs1 917429726 WCSPVEAYTRCBRL-HNNXBMFYSA-N 486.441 6.177 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3Cl)s2)cs1 917559922 FPPSSIACAQMXAV-FLIBITNWSA-N 482.989 7.245 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(C)c(F)c2)n1 917688297 COCGASLJKWWVJD-QFIPXVFZSA-N 498.530 5.276 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccsc2)cc1 917690758 IWCVEQCGYMLOPQ-QFIPXVFZSA-N 495.626 5.316 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 917698892 LJLKAXLLTSYPTO-QHCPKHFHSA-N 497.567 5.505 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1c[nH]c2ccccc12 917702229 DAFBTVIODDBZNX-RUZDIDTESA-N 493.592 5.243 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 918033602 DMKASZSEZJSKJO-UQBPGWFLSA-N 489.417 5.753 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4c(cnn4-c4ccccc4)C3)cc2Cl)cc1 918052302 BPIOELYIAFXRKX-UHFFFAOYSA-N 469.932 5.780 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(NS(C)(=O)=O)c1 918052394 GLIBLGWQQOSWIP-OAHLLOKOSA-N 484.965 5.258 30 20 JKED COc1ccc2c(c1)CCCC2=NOCC(=O)Nc1c(Br)cc(C)cc1Br 918186183 XMCXIGXEHIHMKR-UHFFFAOYSA-N 496.199 5.224 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 918287457 ALIUUYDHGZAPFR-NOZRDPDXSA-N 462.553 5.168 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@@H]2CCc3cc(F)ccc32)C1=O)NC1CC1 920169299 DURJCFOCAIPZLE-WOJBJXKFSA-N 491.510 5.132 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 920177354 YYGKLNRFDGIHLZ-MZNJEOGPSA-N 488.588 5.431 30 20 JKED O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 920814597 BFDGWBZUEWZYSE-UHFFFAOYSA-N 474.260 5.008 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)cc1 921249257 SIPBZARILHGPSG-MNDPQUGUSA-N 479.561 5.645 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)sc2Cl)C1 1779886148 FJSPOGXAEMWOKW-OPAMFIHVSA-N 473.466 5.175 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCCCCCCCc3ccccc3)C2)C1 1783207046 HODOVYGAWLWJRN-POURPWNDSA-N 480.693 5.440 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)[nH]c2c1 1788976130 VTEPBUXIIPOEKU-UHFFFAOYSA-N 464.525 5.110 30 20 JKED Cc1nc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1789920113 RRNFNRPVSMTNPQ-UHFFFAOYSA-N 496.464 5.481 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)CCC1 1790131684 ZDSNMXBMTDFFLU-KRWDZBQOSA-N 478.980 5.069 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)c(C(F)(F)F)c4)CCC3)cc2)c1 1790148286 LJRCCKMWNMSFMZ-UHFFFAOYSA-N 470.426 5.106 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C(F)(F)F)CCC3)cc2)cc1 1790288430 GJMXOLGNGJTIGS-UHFFFAOYSA-N 470.476 5.095 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)cc4)cc3)CCC2)cc1C#N 1790306657 DQXQNCSYMVEJEJ-UHFFFAOYSA-N 469.541 5.113 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(O)c3)cc2)CCC1 1790671850 IDYXOPCWOZCJPE-UHFFFAOYSA-N 479.321 5.114 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5[nH]ccc5s4)CCC3)cc2)cc1 1790707417 LBWCLWFRDJTULQ-UHFFFAOYSA-N 454.555 5.357 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)C[C@@H]21 1790985451 UGKICVDQGYKVKK-HJOGWXRNSA-N 476.778 5.014 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCc4cccc(Cl)c43)cc2)CCC1 1791141729 ZWNONDLDVHMXRE-LAUBAEHRSA-N 467.997 5.305 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)Cc3cc(Cl)ccc3Br)cc2)CCC1 1791199633 QIZZITLTYUIGSZ-UHFFFAOYSA-N 473.798 5.193 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)CCC2)cc1 1791254541 SCRVQSXFVSJIMX-MRXNPFEDSA-N 470.495 5.313 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)CCC2)cc1 1791298752 URLLGVIXGYXAEN-HKBOAZHASA-N 454.542 5.220 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccnc3C)CCC2)cc1)c1ccc(O)cc1 1791641726 HVXITEKFBXZABQ-QFIPXVFZSA-N 467.569 5.041 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=C(C)CC3)CCC2)cc1 1792337482 SKNTUYHMXLIOHS-BNJCFXFUSA-N 493.648 5.336 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)c1 1792380602 XCRJOCXMLZHBLE-AREMUKBSSA-N 465.500 5.060 30 20 JKED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1792707477 YZQILYVOGWSRJX-ACDBMABISA-N 485.506 5.299 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc(C(F)(F)F)c1 1797875309 PYAWOKRSJLTJPD-ZAMBFCTFSA-N 487.566 5.435 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nc(Br)sc2c1 1798159170 KKHRZCSCFDGTLC-BJWYYQGGSA-N 490.467 5.303 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([C@H](C)C(F)(F)F)cc1 1801457802 NJUXBMGDMQHCBS-GBCNUAAFSA-N 462.556 5.302 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1802500809 PPVFJRBFHJECPF-PXDATVDWSA-N 491.035 5.595 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@H](CNC(=O)CCc2cccc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1802954039 NEDXBOYSCRIZJX-CCNCKIRNSA-N 494.639 5.032 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1803084637 UOHUVWODQYPKHE-WIOPSUGQSA-N 474.630 5.088 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803086176 FODGKSFOEOZGLZ-GMAHTHKFSA-N 471.523 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@](C)(OC)c2cccc3ccccc23)[C@@H]1c1cccnc1 1807427534 WDCKXWLVIFQVQJ-HXJFHLOQSA-N 485.628 5.015 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)CC1)c1ccccc1 1808474084 XFSGNEVMEGWATP-QHCPKHFHSA-N 497.561 5.142 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809212936 NULWJYQRPFEUML-WZONZLPQSA-N 466.006 5.073 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)c1 1809617377 IJRJXIJRYFYMLB-PMPSHURLSA-N 498.671 5.198 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1810271582 HZILWUGYNORHFP-XCZPVHLTSA-N 489.736 5.576 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Br)cs2)[C@H]1c1cccnc1 1810500524 RPOTYPZXUBENAR-PXNSSMCTSA-N 490.467 5.218 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1811821953 NRXBSQFHPWLEGY-DENIHFKCSA-N 474.432 5.700 30 20 JKED CC1(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CCCCC1 1813001507 CNUBJWTUTIEHKA-ZCYQVOJMSA-N 467.730 5.109 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1813866495 SSIQTCITNQQHFT-ZENPXKHJSA-N 482.584 5.033 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1813869745 OZERTLMHMDJZFM-QTXKDHNRSA-N 460.622 5.245 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1813988397 MKGWYYQEVGLKCL-RPLLCQBOSA-N 491.607 5.098 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1)C(F)(F)F 1814303638 UHBCPJLWVWMVAG-GJZUVCINSA-N 495.545 5.300 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c1 1814583556 NEQVHKRWAPSESM-QRQCRPRQSA-N 479.943 5.449 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc3ncccc3c2)n[nH]1 1815476590 NQINNMCNKWTEOP-HSZRJFAPSA-N 459.594 5.185 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(-c3ccccc3)c3ncccc23)n[nH]1 1817797064 VVLISHRTXZITGR-YADARESESA-N 482.588 5.267 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C(F)(F)F)c[nH]3)n[nH]2)c1 1818209068 VLNFYUMUKNBZBZ-JLTOFOAXSA-N 484.482 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3nc(C)sc23)n[nH]1 1818536152 CBCRDRHIEFDWFM-UWJYYQICSA-N 463.607 5.402 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N(C)C)c3ccccc23)n[nH]1 1818609243 HJKAXBJNRMBCLV-UUOWRZLLSA-N 459.594 5.147 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)[nH]n1 1819304839 KAEOKOKQDSEDKA-YKSBVNFPSA-N 459.594 5.284 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)[nH]n1 1819308956 JATBFLIYEALKTM-WZONZLPQSA-N 477.996 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)[nH]n1 1819552622 SJQOSPAJUQAIEX-IBGZPJMESA-N 489.661 5.088 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)[nH]n2)c1Cl 1820218404 WVRVTPSGTKFLIF-ONTIZHBOSA-N 491.954 5.183 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)c1 1820470490 RPKDAMQHZINCEH-ZHRRBRCNSA-N 495.505 5.675 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)n[nH]1 1821006895 MQWMWBCBFQUAIB-VSUDMRMVSA-N 484.572 5.232 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)[nH]n2)cc1 1821182320 NVBUANRUTMAJLJ-HSZRJFAPSA-N 486.963 5.230 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)[nH]n2)c(Cl)c1 1821278221 PNCRTRQQHUNXRC-XMSQKQJNSA-N 493.917 5.158 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCCCC(C)(C)C)n[nH]2)c(C#N)c1 1822116451 ZWNLUHWIHKTTKF-DEOSSOPVSA-N 493.652 5.521 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)n[nH]2)CCC1 1822287471 KXQZMQPAOBJFTF-IBGZPJMESA-N 486.403 5.134 30 20 JKED CC1(C)CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)C1 1822475350 KJXHBMQTVQICCG-IBGZPJMESA-N 473.499 5.042 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1F 1823212279 HTZRWDHSQXDPIU-VGSWGCGISA-N 459.525 5.104 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1823676596 VOVVOICWTSHIOQ-RUZDIDTESA-N 474.992 5.240 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)[nH]c12 1824053043 AIANNFSJCOIFNI-HHHXNRCGSA-N 482.628 5.214 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC)nc2)CC1)c1ccccc1 1825749747 IZAOQMNVSAPOEB-IZLXSDGUSA-N 471.645 5.075 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1 1826570220 CQHYOSLBVNJISS-NRFANRHFSA-N 452.973 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1 1827278233 BLXFAXVSMUCQNI-JOCHJYFZSA-N 451.611 5.362 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1828400134 FUBYERRIRGAYEK-FKBYEOEOSA-N 464.984 5.275 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2SCC)CC1 1828825059 SICLDPKAEDWCOU-JTHBVZDNSA-N 455.668 5.195 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829581681 DDGRMMSVZFCPRR-UPVQGACJSA-N 489.685 6.156 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccco4)no3)CC2)c1Cl 1829688661 FYHTWUFDXXVLSD-NRFANRHFSA-N 492.963 5.007 30 20 JKED CO[C@@](C)(C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1cccc2ccccc12 1830161405 VYHBTHZKVDUQJZ-LITSAYRRSA-N 487.644 5.015 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)c1 1830169237 IYMQGZKYGLXRTQ-KCWPFWIISA-N 483.697 5.382 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492532 WCVNIDDZUAUMPO-RUZDIDTESA-N 459.590 5.262 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1830585001 KPDDSDIDGMDFNY-DEOSSOPVSA-N 481.543 5.015 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806876 PTRZOXRKESVHFT-VWLOTQADSA-N 452.545 5.441 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)cc1)C(F)(F)F 1831235611 RNUNLUOTBITRHJ-AVRDEDQJSA-N 477.571 5.064 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1831377272 XAUYMPWQDSFVJR-NBGIEHNGSA-N 473.617 5.873 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1831511560 ZWECWCZFIIOFHP-AMGIVPHBSA-N 457.618 5.180 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)Cc3ccccc3)CC2)c1 1832037468 PQUFDTFWHMPYTM-MVOZIGHISA-N 471.645 5.426 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1 1832087901 XGIIXIZIAMNCQO-SANMLTNESA-N 451.655 5.019 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)CC2)c1Cl 1832956527 KNEKLYCTWASACU-SANMLTNESA-N 490.047 5.250 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(-c2ccccc2)cc1)[n+]1ccccc1CC 10174249 CYTHSCMENYDTMX-UHFFFAOYSA-O 465.642 6.817 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nc2scc(-c3cccs3)c2c1=O 11380508 SPWKGPRZZJTCAJ-HNNXBMFYSA-N 495.651 5.694 30 20 JKED CCn1c(SC[C@H](C#N)CCC#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 15248037 AMPPDBTWQVLJKX-IBGZPJMESA-N 452.587 6.024 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1 16823210 PULOSHCXJDWTPI-ZDUSSCGKSA-N 466.916 5.923 30 20 JKED Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)S2)cc1F 16939209 UGXUKFUAQRQANR-NRFANRHFSA-N 495.963 5.266 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)n1 19359399 SLJWCHINAADXDE-IBGZPJMESA-N 465.497 5.479 30 20 JKED C=CCn1c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nnc1-c1ccoc1C 21273945 DOYXYZQWSNDTDV-UHFFFAOYSA-N 460.519 5.338 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)c2Cl)cc1 22050435 VKSZITSWJMBJKH-HXUWFJFHSA-N 478.980 5.002 30 20 JKED C=C(Br)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1 207539114 LNHAYFLNJGTMDB-YBFXNURJSA-N 459.365 5.089 30 20 JKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1cccc(Cl)c1Cl 303414259 VTPPCRIZHWTPJP-MRXNPFEDSA-N 469.155 6.269 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1 409655499 AWFYBWFPUBRFHK-UHFFFAOYSA-N 467.997 5.024 30 20 JKED C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(C#N)cc1 480319031 PUKBPFLAYWYGEN-QGZVFWFLSA-N 458.949 5.574 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1SC 482934709 WKGVLVHHQQIJPS-UHFFFAOYSA-N 465.506 5.179 30 20 JKED Cc1sc2nc(CSc3ccc(Br)cc3)nc(N3CCC(C#N)CC3)c2c1C 489274471 DGNQAOTVBNXPNQ-UHFFFAOYSA-N 473.465 6.103 30 20 JKED CC(C)(C)OC(=O)c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1 503564441 ZLFHDBUEFICBTQ-MRXNPFEDSA-N 477.471 5.062 30 20 JKED O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 505505505 IWKXWBKWZFUPQW-WMLDXEAASA-N 457.349 5.335 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1 508980331 NLRPDXAAFIJCOV-UHFFFAOYSA-N 461.581 5.091 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1 509080801 LIOMHUSLPHTPIW-UHFFFAOYSA-N 495.329 5.074 30 20 JKED C=CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)Cc1cccs1 510861274 XJWRMJHUXWFMPZ-UHFFFAOYSA-N 452.432 6.384 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513158805 CYBIFIAUVZCSPM-INIZCTEOSA-N 460.868 5.953 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2cccc3ccccc23)cc1Cl 513983004 KJNYLXUMAVFEOJ-HSZRJFAPSA-N 468.944 5.909 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1)c1ccccc1 519449369 BHXJZANLGVFSKO-DENIHFKCSA-N 464.635 5.245 30 20 JKED CCOc1ccc(Br)cc1CN(C(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1 520197617 IUPCGRWXWFEPTN-MRXNPFEDSA-N 488.451 6.439 30 20 JKED N#C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccc(OCc2ccccc2)cc1 521501157 ZIGAIERYEYRYMD-VWLOTQADSA-N 451.526 5.624 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccccc3S[C@H](C)CC#N)oc3ccccc23)s1 521796787 GQBDGJSQPWXBAD-CQSZACIVSA-N 480.640 6.532 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc(OC)c1OC 524246588 WMNLOHVZBGOSDR-QGZVFWFLSA-N 496.976 5.069 30 20 JKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(C)c1 524439046 DIUBIBFRZOURDQ-UHFFFAOYSA-N 470.573 5.473 30 20 JKED COc1ccc([C@@H](C)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1Br 562838369 NTDCXTSXQHGUSG-QGZVFWFLSA-N 451.364 5.759 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1cccc(C)c1 598054442 NBTIGMPJRJSLTD-OAQYLSRUSA-N 459.619 5.484 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc(NC(=O)c2ccccc2)c1 603891662 DZOWSMTUFRFYEC-LJQANCHMSA-N 465.509 5.474 30 20 JKED CCn1c(SCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nnc1-c1cccc(C)c1 603991645 FROGDFZMKHBRGY-UHFFFAOYSA-N 485.638 5.703 30 20 JKED COc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(OC)c1 604046382 CSHQCFPPDWKQIF-OAHLLOKOSA-N 451.910 5.460 30 20 JKED Cc1cccc(C2(CNC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CCCCC2)c1 604220800 RIXULEPBOJBPOA-UHFFFAOYSA-N 468.557 5.011 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 604365102 LLPYNBHBOGYDNA-UHFFFAOYSA-N 454.530 5.215 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4nnc5ccccn45)CC3)cc2Cl)c1 609081100 ZYUZQNPTLQXAIS-UHFFFAOYSA-N 486.963 5.245 30 20 JKED CCSc1ccc(Cl)cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609182716 DXISTAKACPLQDS-UHFFFAOYSA-N 456.955 5.427 30 20 JKED CCCCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2ccccc2c1=O 609370985 PMUBEOWYOSAXSX-KRWDZBQOSA-N 466.632 5.322 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(F)c(Br)c1 609389813 XUOIIQKXNJYQLZ-ZDUSSCGKSA-N 453.402 5.712 30 20 JKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1OC 609435483 QNSFRWJHSYYWCX-WMZHIEFXSA-N 475.614 6.204 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccccn2)nnc1-c1ccc(Cl)cc1Cl 620860934 ALLFSZZUTRTJOO-CQSZACIVSA-N 462.406 5.145 30 20 JKED Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622379040 FYOVRKUEPPOITN-UHFFFAOYSA-N 460.296 5.626 30 20 JKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 622494076 OEYBFFLRTBNOMK-UHFFFAOYSA-N 485.403 6.204 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C(C)C)nnc1-c1cccc(C)c1 639428082 QEILJIUJOKZLQF-QFIPXVFZSA-N 463.607 5.153 30 20 JKED C=CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891435 HLIRENASKRBLHB-UHFFFAOYSA-N 493.588 5.963 30 20 JKED C=CCn1c(SCC(=O)NCCc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1 641956837 APGCGBXKPZEHLY-UHFFFAOYSA-N 480.943 5.254 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cccc(Br)c1 645079503 ZBYDBTWMBRDEOF-UHFFFAOYSA-N 478.799 5.434 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 726320422 XSVNHMZWEBKYNW-FQEVSTJZSA-N 456.502 5.106 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 726394249 TYZNGOATMNVCHR-WZONZLPQSA-N 461.587 5.225 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3ccsc3)C2=O)cc1 726405769 GVKZZEDJZRFHKI-OAQYLSRUSA-N 495.029 5.742 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406700 LUMVEGXFXMSJBO-ZHRRBRCNSA-N 489.988 5.328 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCCC2)cc1Cl 726407791 VMNTXLDJXUZICD-FQEVSTJZSA-N 488.947 5.393 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726421908 QLAUUIGTBIFVAJ-XZQHVQAJSA-N 474.611 5.210 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCc3ccccn3)C2=O)c1 726422475 WEWPBNTYXMLAIU-OVKZZRKASA-N 492.670 5.392 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cs1 727267091 NODIMXZSKKFHPU-JXMROGBWSA-N 480.502 5.465 30 20 JKED CC(=NNc1ncnc2c1cnn2-c1ccccc1)c1sc(-c2ccc(Cl)cc2)nc1C 727651051 FJLZAVHHEAYGEU-UHFFFAOYSA-N 459.966 5.737 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1 727934668 QWZPQUANYPTHME-UHFFFAOYSA-N 486.425 5.321 30 20 JKED CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728121535 IVVMQIAVFVVFPS-JOCHJYFZSA-N 451.958 5.224 30 20 JKED COc1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1OCCCC#N 728156868 HTOLXBLJHHQUHD-XIEYBQDHSA-N 473.554 5.226 30 20 JKED C#Cc1cccc(N(C(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)C(C)C)c1 728246636 BVMCZWJUKKUYTH-UHFFFAOYSA-N 453.336 5.361 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H](O)c3ccccc3C(F)(F)F)c2)cc1 728737643 PCQBOTNHTAJRNC-QHCPKHFHSA-N 469.463 5.206 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(CCCCC#N)C2=O)c1 728777785 ONFVZJRZGYJKFY-QHCPKHFHSA-N 478.618 5.473 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCCC#N 728779302 XXMCHHYEQOEKLI-HXUWFJFHSA-N 472.973 5.442 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCCCC#N)C2=O)c1 728780296 PWWHHIGNSPAGEZ-JOCHJYFZSA-N 466.582 5.405 30 20 JKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCSc2ccc(Br)cc21 729036342 OFOKSJJFCIBQLQ-DHIUTWEWSA-N 492.442 6.805 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3scnc3C)C2=O)cc1 729142231 IHRSNNMNINILOJ-NRFANRHFSA-N 478.643 5.537 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(C2CCC2)C1=O 730461538 FMNNVCXQDYUJJV-QFIPXVFZSA-N 451.592 5.331 30 20 JKED Cc1ccc2c(c1)[C@@H](N1C(=O)[C@@H](CC(=O)Nc3cnccn3)SC1=Nc1ccccc1Cl)CC2 730713796 BACKNJPLNATEBP-LEWJYISDSA-N 492.004 5.086 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c1 730726634 IWKUDNRJEKNNGE-OAQYLSRUSA-N 482.993 5.612 30 20 JKED C#CCOc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)cc1 730980299 PQQSSDRMZAOVKP-UHFFFAOYSA-N 463.331 5.274 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 731060164 RQNGNAANUVAJLJ-GOSISDBHSA-N 458.539 5.107 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)NCCCN1c2ccccc2Sc2ccccc21 731124866 PFRDILQEFQNJDV-UHFFFAOYSA-N 488.638 5.440 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2)cc1 731307048 ZSPVURSPEOAUPU-JOCHJYFZSA-N 495.988 5.215 30 20 JKED Cc1oc(NC(=O)COC(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)c(C#N)c1C 743246773 RBIMPDWGKFDCLT-UHFFFAOYSA-N 463.490 5.064 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3ccccc3)s2)cs1)c1ccc(F)cc1F 746013832 KXJIQVFRFNPZSQ-NTMALXAHSA-N 466.534 6.731 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S 746055748 CYZAOCCCBJNJBM-UHFFFAOYSA-N 458.591 5.105 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c1 746697567 GXXADMOIPOGHOU-OAQYLSRUSA-N 471.598 5.218 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(CC)cc3)N(Cc3cscn3)C2=O)cc1 747603483 SEBWTEFOXOAZMW-QFIPXVFZSA-N 494.642 5.265 30 20 JKED CCOc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2C#N)c2c[nH]c3ccccc23)cc1OC 799834591 GQFIGLZBALCNII-DQRYEYLNSA-N 465.553 5.408 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 837423814 YXJYRWHKRZMSRD-CVDCTZTESA-N 458.587 5.420 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914499885 LNRNHTMLEYUARI-ZHZULCJRSA-N 469.657 5.040 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccc(OC(C)C)cc2)C1=O 914539578 FXCJNJVGEQQZNR-IBGZPJMESA-N 480.417 5.048 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)c2ccc(I)cc2)cc1 915199623 IFOLLRJCPYFOJI-JOCHJYFZSA-N 494.332 5.548 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Br)cc1 915353230 MJGZUWAXXYVCLK-DHIUTWEWSA-N 492.373 5.530 30 20 JKED CCO[C@H](C)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 915505862 TUNPJABHBLZGRX-SIJIIQCFSA-N 468.575 5.206 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 915730775 OKTNAMIWUPSIFK-MHNAUGIASA-N 497.598 5.694 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 915863266 WWHOYYOBEGLGGK-XUZZJYLKSA-N 477.486 5.348 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=S)Nc2ccccc2C)cs1 915921087 NEHXUSJRSWATSQ-UHFFFAOYSA-N 477.537 5.475 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccccn2)cc1 916214621 PWTBTACVMCRMES-DEOSSOPVSA-N 486.597 5.007 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1Cl 916683969 OOFVPENERUUUDV-XMMPIXPASA-N 477.033 5.870 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916906897 WFTSHMIJFFSXTO-DENIHFKCSA-N 487.581 5.195 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1 916912199 IMVVIRVPWVXPKY-FQEVSTJZSA-N 462.962 5.572 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2c1C 916942599 NFFFSBKIECLVAM-CQSZACIVSA-N 465.387 5.055 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1 916946450 UUVKTBBHIKURTM-KRWDZBQOSA-N 465.358 5.023 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)ccc1F 917703753 PBEJMNJLYAUQAO-HSZRJFAPSA-N 490.535 5.305 30 20 JKED N#C[C@@H](Cc1ccccc1)Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 917755099 CCMCTSWSGBKXOH-OAQYLSRUSA-N 499.690 6.455 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1nc2cc(Cl)ccc2n1Cc1ccccc1 919252247 QEDYHIFEWCLOOZ-UHFFFAOYSA-N 475.980 5.141 30 20 JKED COc1ccc(-c2nc(COC(=O)c3ccc(COc4ccccc4C#N)o3)cs2)c(OC)c1 919514056 CQBXMTIBLZSZCU-UHFFFAOYSA-N 476.510 5.228 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 920006027 CCFVQFHGXKKZKG-UHFFFAOYSA-N 487.357 5.970 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)n2)cc1 920144229 YYIFFJXQTSNMHG-LEWJYISDSA-N 477.586 5.131 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 920982331 DUOMGSLLTUDCBA-QHCPKHFHSA-N 489.597 5.143 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)C2)c1 1778867785 FESPIJNUORTUGE-GOPBZUNVSA-N 491.676 5.048 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)CCC2)cc1 1785842467 UJQYBCLOBIPODG-ZTOMLWHTSA-N 471.601 5.023 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(C)=O)c(O)c3)CCC2)cc1 1785843137 STHSZUHDMBCEFL-UHFFFAOYSA-N 463.578 5.091 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)cc1 1785882490 HMMZIDCSGDJMQO-UHFFFAOYSA-N 476.536 5.204 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccc(F)cn34)CCC2)cc1 1786103248 MVGAGNIJNBRPCO-UHFFFAOYSA-N 460.553 5.298 30 20 JKED COc1ccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)[C@@H](S)C(C)C)cc4)CCC3)no2)cc1 1786391748 RXDFPIPZVKLLAU-QHCPKHFHSA-N 479.602 5.052 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CNc4ccccc4C3)CCC2)cc1 1786678412 QXHAESYDZREGIJ-FQEVSTJZSA-N 463.647 5.104 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)Cc3csc(C)n3)cc2)CCC1)c1ccc(O)cc1 1786861283 QOFGVDZHAPHMKA-OAQYLSRUSA-N 487.625 5.031 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)(F)F)c4)cc3)CCC2)c1 1787212289 MFAARQFCYFUYPX-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ncn(C)c3C(F)(F)F)cc2)CCC1 1788769740 FGPSGXBGEZXYHQ-UHFFFAOYSA-N 462.516 5.179 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)ccc5c4OCO5)cc3)CCC2)cc1 1788988882 AONPPHYOSCHQCX-UHFFFAOYSA-N 487.943 5.196 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)[S@@](=O)c3ccccc3)CCC2)cc1 1789458245 ROKFPQIPDUHJCZ-LIEYZCIRSA-N 464.631 5.085 30 20 JKED COc1cc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c(F)c1 1790676055 FRQGPWCXBWUPCV-UHFFFAOYSA-N 479.458 5.046 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)cc2)CCC1 1790727375 UFCITBDGZLMZOL-UHFFFAOYSA-N 470.451 5.079 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cncc5cnccc45)CCC3)cc2)c(Cl)c1 1790767742 JRRBQDOTUWXFRI-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@]34C[C@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791442785 PRFDCEWCWXWKPJ-MNNSJKJDSA-N 493.648 5.288 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(C)C)C(C)C)CCC2)cc1)c1ccc(O)cc1 1791646406 LIANGUZBUSOHMY-QDPGVEIFSA-N 489.660 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](N)c4cccc(Cl)c4)CCC3)cc2)c1 1792122075 AIRAQOZEZHPZMB-IQGLISFBSA-N 487.003 5.415 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ccccc12 1797279610 DXGPYQCAZOBHAQ-KOUNCHBCSA-N 471.626 5.073 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(F)cc3)cc1F)C2 1798339914 HIWFSTIMLZDJIC-UEQSERJNSA-N 464.556 5.652 30 20 JKED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC#C[Si](C)(C)C)c1ccc(Cl)cc1 1798418246 IBTPPCGJYBJFFF-TWHAJKEOSA-N 459.106 5.133 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)c1 1801203692 SZNQTPKVLLONNN-REPLKXPHSA-N 467.500 5.162 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802493320 VUOSWFYQLLMJHI-NGYIFUPDSA-N 468.041 5.537 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1802504405 XYQABABAKKIQGO-LBNVMWSVSA-N 496.655 5.764 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1803986156 PPDKUWPENMPKCN-CFBBYLOMSA-N 479.587 5.449 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(Cl)s4)C3)CC2)cc1C#N 1808212244 KOXCQVUSNZHBHX-UHFFFAOYSA-N 486.037 5.219 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1808595198 COBRVNMNJSGPAN-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1810171660 FLWUYCJJTZXIFB-PPJWLVRDSA-N 466.025 5.142 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@@H]1c1cccnc1 1810499198 VFQFRRFDZRSIAW-HOYKHHGWSA-N 480.559 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1810503562 QKZMMVLGXDMYHO-QPPBQGQZSA-N 480.052 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1810762800 OFLIQNVDERXKMI-YLJYHZDGSA-N 475.420 5.095 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811417226 CCYZSSZAOPSMPA-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1812260109 XBPHSBHKGXAUMS-UNIVCBNLSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1812592173 QPIJHWGPWXGIMI-NVVBAYIOSA-N 451.954 5.013 30 20 JKED CC(C)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1812600411 IBYKOIGLOFHBMA-DGPALRBDSA-N 479.624 5.237 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1812673335 RPDNPXMKSZRKIW-LIRRHRJNSA-N 486.321 5.059 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@](C)(OC)c3cccc4ccccc34)[nH]n2)C1 1814391776 IIBVGIQYWSTUQI-YWEHKCAJSA-N 472.589 5.083 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)[nH]n2)C1 1814392697 RATQIYLHQZXDFE-IBDYFIJFSA-N 458.484 5.100 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)[nH]n2)C1 1814396969 NJZKBVFVEFHOIW-DEOSSOPVSA-N 480.572 5.225 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1814571191 RLOPGVMOCZFSJE-DYESRHJHSA-N 493.011 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816462577 XOYPUCRUCXKLQD-OAQYLSRUSA-N 452.599 5.683 30 20 JKED C=C(C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1)C(F)(F)F 1817405948 NVVSRBNGVAMCKG-AWEZNQCLSA-N 495.910 5.401 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4cc[nH]c4c3)n[nH]2)c1Cl 1818487468 LZDWESUXACSRAB-NRFANRHFSA-N 472.936 5.036 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1)c1ccccc1 1818644710 OKEACWXKTOAHJW-BDYUSTAISA-N 491.595 5.461 30 20 JKED Cc1cccc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)[nH]c12 1819000974 UQXOPCKXTSJAMA-OXJNMPFZSA-N 483.597 5.100 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224047 BADHJHIVZJRIDD-KKSFZXQISA-N 465.985 5.619 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)[nH]n1 1819303497 JXFLJPQRUPHLNL-BLSRYCEMSA-N 457.578 5.365 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820221155 OUOZPGSXNFLHFG-OAQYLSRUSA-N 491.979 5.180 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820229674 VEYJHMGOYROYGX-YLJYHZDGSA-N 460.987 5.070 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1)c1ccc(Cl)cc1 1821857959 DFSQUWPFQWCPJP-RBBKRZOGSA-N 468.001 5.189 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1821985153 FLCZJIMFFHVJOH-NRFANRHFSA-N 452.505 5.009 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)[nH]n1 1822581826 ZXCBKSXIMPTQRL-VWLOTQADSA-N 497.599 5.162 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3F)n[nH]2)c1 1822969247 ZFFHDANUCCXCDT-HOYKHHGWSA-N 473.552 5.115 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(F)c3F)n[nH]2)c1 1823226107 QJIARVNDGPHMGC-SZNDQCEHSA-N 481.478 5.074 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CC(c4ccccc4)(C2)C3)n[nH]1 1823593514 QTQKRXGOLYXYRI-MAJVRKIDSA-N 458.606 5.292 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824247656 ZENUEOAKNOOSDZ-XAZLJPHMSA-N 469.069 5.647 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1824538927 JFXQWPCRMZIMCR-GGAORHGYSA-N 490.069 5.183 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)CC1 1825097788 CLMMGLTWXSRWEA-XMMPIXPASA-N 491.598 5.421 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825574605 GAMWKJRONHFIRK-AREMUKBSSA-N 463.597 5.248 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)CC1)c1cccs1 1827409737 YBYCVKZVJFXPKP-GHOSXJJBSA-N 482.627 5.228 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc4occc4c2)CC3)c1 1827696448 BZKYATWGNVTXQP-YWZLYKJASA-N 470.554 5.056 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732348 OPIKTICSYFKWIW-NRFANRHFSA-N 467.997 5.383 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827854910 QJFBUXZQTPZJEU-TZIWHRDSSA-N 466.544 5.609 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 1828906606 WNDHZGPSEYEVGQ-VWLOTQADSA-N 477.725 5.452 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829596997 WDXNQNAKJYNROV-QHCPKHFHSA-N 488.657 5.679 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1830170118 PTKZXJWEIVDNCY-HHHXNRCGSA-N 498.627 5.130 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)cc1C#N 1830351406 LYLQIWOYHLHKSR-UWURSXPMSA-N 477.649 5.325 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)c(Cl)c1 1830362815 YLGYFDCVIGQRKT-VWLOTQADSA-N 481.999 5.135 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccccc3Br)CC2)CC1 1830391850 MTSIWKPPSCGXNJ-XMMPIXPASA-N 499.493 5.294 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2F)CC1 1830546309 ZPRGINWZICIMQJ-VFNWGFHPSA-N 483.397 5.173 30 20 JKED Cc1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601460 AFMQERIHWQOWIG-PMERELPUSA-N 491.635 5.337 30 20 JKED C[C@@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC=CCC1 1830755236 HJKURFCUGIGVCH-ZEQKJWHPSA-N 487.566 5.557 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830802554 GVUCQDAEVMVCOT-RPWUZVMVSA-N 492.582 5.716 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1831372666 GMLIZMRGMYVFCA-HXOBKFHXSA-N 486.454 5.376 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(-c4nccs4)noc3c2)CC1 1831374276 ZFDDFCLTHNEDMA-GCJKJVERSA-N 492.645 5.397 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831745228 PQSURAJVGUODKX-VWLOTQADSA-N 454.680 5.042 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1831858570 XLDFRQUYTZGKLZ-VWLOTQADSA-N 456.590 5.039 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 1832034500 MPJJPEAZICIGIL-UBFVSLLYSA-N 499.493 5.366 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)cc3F)CC2)c1 1832633633 KQEGJLVIJHILQQ-SIBVEZHUSA-N 479.571 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)CC1 1835815393 GECLXQVLVKKXEO-UHFFFAOYSA-N 471.686 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(C)snc4s3)CC2)CC1 1838027208 NYAWNFVEVKKODR-UHFFFAOYSA-N 489.707 5.271 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)cc1C#N 1844757215 XUQLRAALPRSZNX-UHFFFAOYSA-N 497.570 5.282 30 20 JKED Cc1c(C(=O)N2CCCC23CN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)cccc1C(F)(F)F 1846878244 QVQGPLFZJZKPLS-UHFFFAOYSA-N 495.423 5.035 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172734 GYNRUKDNFLBJSP-UHFFFAOYSA-O 472.493 5.097 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174155 UDHLVPAFNHDRHW-UHFFFAOYSA-O 481.466 5.764 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 11153764 LMUTVFXUUWUKME-UHFFFAOYSA-O 479.669 6.795 30 20 JKED O=C(C[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccc(SC(F)F)cc1 15231912 VTYONOGHXXAYNL-CQSZACIVSA-N 475.464 5.268 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 16823223 BLWYUQHJURWDEO-MRXNPFEDSA-N 463.632 5.452 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nc2sc(-c3ccccc3)cc2c1=O 20852604 YUACMOVISSALIZ-UHFFFAOYSA-N 475.595 5.244 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(c1ccccc1)C1CCCCC1 21371508 XCGJMIVNEJNVNP-UHFFFAOYSA-N 480.609 5.640 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 21514425 XMUZCLFPUGEQEQ-UHFFFAOYSA-N 453.795 5.684 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccc(F)cc1 21996269 DVGUXXCPGSFLHD-UHFFFAOYSA-N 452.599 6.248 30 20 JKED CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2SCC#N)s1 22145552 IAWJDACOGRRHKA-UHFFFAOYSA-N 457.606 5.027 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2OC)[n+]2ccc(Cc3ccccc3)cc2)cc1 22686092 IIFZDENYGQEMFG-UHFFFAOYSA-O 497.640 6.023 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22729645 BJGFKKBRLWBEGB-UHFFFAOYSA-O 465.642 6.541 30 20 JKED C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1)n1cccn1 27092220 OVLFMRUOPCBUHG-SFHVURJKSA-N 467.554 5.358 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc3c(c2)CCCC3)cc1F 28811088 DYSNLGZJHCDSGI-UHFFFAOYSA-O 478.569 5.568 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 29956617 NRZKGMWBMZLTLO-HHHXNRCGSA-N 498.558 5.185 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccccc1C 78665771 GWAHCUMDPNUAHL-KRWDZBQOSA-N 451.621 5.399 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1 107812713 HMNBXMZNGAWQRE-UHFFFAOYSA-N 470.344 6.368 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1F 216106328 CIMPNDYGERWMCL-CQSZACIVSA-N 475.387 5.460 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OCC)cc1 252620352 MCJORPPIACKYHA-IBGZPJMESA-N 477.508 5.250 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccn2)cc1 255571674 NGYIYFAXYKAZIB-HSZRJFAPSA-N 476.577 5.505 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1 302979547 HLCXTQLXOHAOOB-QHCPKHFHSA-N 478.346 5.718 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 303145062 RUORFBUMFXYYRR-UHFFFAOYSA-N 460.515 5.432 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)cc2F)c1 477826322 NVQONWASMFFSMJ-UHFFFAOYSA-N 484.487 5.443 30 20 JKED CCCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C1CCN(C(=O)c2ccccc2)CC1 483533192 XDFIUSKDWQOUGF-UHFFFAOYSA-N 467.569 5.508 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 484641892 JONMSTHPWQYYCV-UHFFFAOYSA-N 468.340 5.041 30 20 JKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2c(F)cccc2Cl)CCC3)CC1 489476399 DYRRGTXNNZFDMU-SDXDJHTJSA-N 459.952 6.280 30 20 JKED CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1 509576994 JHMIMOOXAHQTSY-IBGZPJMESA-N 493.894 5.069 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 509609219 GCFCYXMBEVCUAT-UHFFFAOYSA-N 464.421 5.059 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCN(c4ccccc4Cl)CC3)c2)cc1 509907693 AUWODBFUKKVPHG-UHFFFAOYSA-N 460.965 5.339 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCSc4c(F)cccc43)s2)cc1 510158840 DFMITVCTWVCERP-MRXNPFEDSA-N 457.581 5.200 30 20 JKED C[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)S(=O)(=O)c1ccc(F)cc1 512005672 HZZMKIJFLOJODG-GJZGRUSLSA-N 462.612 5.101 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 514040213 WBWSRUZPVWJAEK-UHFFFAOYSA-N 476.558 5.619 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 514357754 JFVSLYZFJSWSFX-IRXDYDNUSA-N 497.020 5.801 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccccc1 514897999 KJSLHUCIBXQCNG-INIZCTEOSA-N 463.632 5.310 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)c2)cc1 515577247 OCPXKQQEXAADLV-UHFFFAOYSA-N 466.516 5.397 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 515740521 YAVUIURHJNPQCY-UHFFFAOYSA-N 485.371 5.521 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516038901 HFJZDVIBSVVZDM-OXQOHEQNSA-N 489.000 5.763 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 516223811 AFEQEKQEQGCPIC-LJQANCHMSA-N 454.555 6.372 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 516387880 HKZRWZXZHJEQNE-QFIPXVFZSA-N 455.583 5.341 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1C 518897796 XEMAXLZAWSJIQW-NRFANRHFSA-N 469.589 5.348 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)ccn2)cc1 519052152 LINQMFPMRCEZHR-UHFFFAOYSA-N 466.497 5.868 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1nc(-c2c(F)cccc2F)cs1 520432314 YRXIXHHMLZCXQF-HNNXBMFYSA-N 489.482 5.694 30 20 JKED C[C@@H](NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 520438691 NMLBLTAYYZYTHJ-LJQANCHMSA-N 460.528 5.014 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1 520444975 ISPIHTUCXDXLDX-SANMLTNESA-N 479.584 5.299 30 20 JKED COC(=O)c1c(NC(=O)CNc2ccccc2S[C@H](C)CC#N)sc2c1CC[C@H](C)C2 520943805 MQTIYSRMROGRJV-LSDHHAIUSA-N 457.621 5.104 30 20 JKED Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccccc2SCCC#N)c2ccccc2)cc1 521716776 UPIXFNWIOZJEFX-UHFFFAOYSA-N 479.627 5.225 30 20 JKED Cn1c([C@H](C#N)C(=O)c2oc3ccccc3c2COc2ccccc2Cl)nc2ccccc21 588348590 SBSCOABYDXSJEF-QGZVFWFLSA-N 455.901 6.042 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCCN(c4ccccc4C#N)CC3)c2)cc1 589463778 NGYVKHPPWXYGSM-UHFFFAOYSA-N 481.596 5.011 30 20 JKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)CC3 603828976 AJMXVAPFCPIVKL-QFIPXVFZSA-N 454.961 6.375 30 20 JKED C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 604044285 CQIDHKMZCAOTEN-MHECFPHRSA-N 476.964 5.794 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 604158901 CNADHKJOYRYICD-IBGZPJMESA-N 497.580 5.008 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 604452849 DDVNABVMCFZYKL-NRFANRHFSA-N 485.346 5.342 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1cc(C#N)ccc1OC(F)F 609066674 POPVDDXLMCCYCI-UHFFFAOYSA-N 453.392 5.863 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)cc1 609113499 OHGJPUDKRNKQNA-UHFFFAOYSA-N 494.551 5.468 30 20 JKED Cc1nn(Cc2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)c(C)c1[N+](=O)[O-] 609171766 BGVUOZSQTOSGLY-AREMUKBSSA-N 495.539 5.030 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 609186314 HCZOJQXSKYLLNO-OAHLLOKOSA-N 461.518 5.792 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(COc3ccccc3)CC2)c1 609187461 AFVMPCUADPVMSQ-UHFFFAOYSA-N 485.609 5.220 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1[N+](=O)[O-])c1ccccn1 609426804 FGQMFEQOEKSQCN-SFHVURJKSA-N 479.496 6.079 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1ccc2ccccc2n1 613292877 ZYPPZUFEAYJMRU-FQEVSTJZSA-N 457.327 6.066 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)c2)c1 614955558 ZOINKWDPWJLMBW-UHFFFAOYSA-N 475.504 5.059 30 20 JKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 616337529 WTTSHUDIBAMPGF-UHFFFAOYSA-N 476.295 5.543 30 20 JKED O=C(Nc1cccc(COc2cccc(F)c2)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542190 ZECYBKHVHRKDDR-GASCZTMLSA-N 464.381 5.999 30 20 JKED C=CCN(C(=O)Cc1c(C)nn(C(F)F)c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 620382161 ZQHLOLLNYLPDJY-UHFFFAOYSA-N 471.360 6.087 30 20 JKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 620552311 OIZDLNSIEBEEAZ-FUHIMQAGSA-N 492.435 5.890 30 20 JKED O=C(NCc1ccccc1OC(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642675603 KKTLGHLATUFAIB-GHMZBOCLSA-N 452.317 5.294 30 20 JKED Cn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 685012782 FCUCHWQNENKOBA-UHFFFAOYSA-N 457.603 5.623 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccsc2)cc1F 726412225 QVKGAGRGRULCAE-JOCHJYFZSA-N 497.617 5.673 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2ccc(C)s2)C1=O 726422338 VJGLBLQLUBEOQU-HOCQLMGASA-N 499.683 5.717 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(C3CCCC3)C2=O)cc1 726422702 YICJZWUMGVOTAR-PUHHMSNFSA-N 469.632 5.283 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 726572240 TYJSFHJNOMJSNZ-UHFFFAOYSA-O 491.593 5.292 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@H]2c2ccccc2OC)c1=S 727830065 YZTUNEFVKZDDJC-FQEVSTJZSA-N 454.571 5.121 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 727999960 WZEXAFYNSSIWOA-VWLOTQADSA-N 471.944 5.693 30 20 JKED Cc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1NC(=O)c1ccncc1 728029612 ZYFJJQZASWUUFS-UHFFFAOYSA-N 496.954 5.999 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1 728669155 KRSWBUWATCJUPI-UHFFFAOYSA-N 483.549 6.157 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)cc1 728777732 LPGUDCLONBOGAC-JOCHJYFZSA-N 464.591 5.128 30 20 JKED CC(C)c1nc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)nn1-c1c(Cl)cccc1Cl 729091228 YVKLZYXWTUZNBR-OAHLLOKOSA-N 461.324 5.376 30 20 JKED COc1cccc(NCc2nnc(SCc3ccc(OCC#N)cc3)n2C2CCCCC2)c1 729240953 YOADOTVHPZIFPJ-UHFFFAOYSA-N 463.607 5.599 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ncccc1C 729634727 RSWPYEUMLZIVPM-HSZRJFAPSA-N 458.587 5.113 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccc(C#N)cc1F 729818935 PNULUXDTQRRWPN-XMMPIXPASA-N 497.555 5.038 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 729887867 DNLLPCFPAKPKSU-KBMIEXCESA-N 453.542 5.438 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c1 730445039 SPSUPZKMYAUHKD-QHCPKHFHSA-N 494.592 5.250 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3ccc(C)cc3)cs1)O[C@H](C)C2 730685614 AOBHIRJTWHJNOW-XEHJXZTKSA-N 458.583 5.821 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cocn3)C2=O)cc1Cl 730716713 YUMADZHMMOQOGH-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(Cl)cc1 730717467 NDMUSEGYWXALHD-NHCUHLMSSA-N 492.004 5.086 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1C 730942320 MLRSFPREGFJDSA-WMZHIEFXSA-N 458.587 5.420 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 731061240 UWQQOOBCTFAKKZ-SFHVURJKSA-N 473.598 5.551 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cn(Cc2ccccc2)c2ccccc12 731068072 QGWHUYOEQSRLFR-FQEVSTJZSA-N 483.593 5.737 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCc1ccc(OCC#N)cc1 731156504 STXBPDIUVYFNPG-UHFFFAOYSA-N 452.510 5.891 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(C)cc1C 731310052 ZMZGUHOSCVRBHS-DEOSSOPVSA-N 489.597 5.178 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1ccccn1 731310937 SVQBIRJULDVAER-AOMKIAJQSA-N 495.004 5.471 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cc(Cl)cc(Cl)c1 745988921 GMVLVDGJLGYBPF-IBGZPJMESA-N 494.400 5.157 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)c(C)c1 746417400 XKQZNSNCRPKXOL-GOSISDBHSA-N 471.554 6.011 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cs1 747018769 VKILGEYBIKYVFP-OAHLLOKOSA-N 459.499 5.095 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1OCc1cn2ccccc2n1 748579543 KBALNDYEMKVMFC-UHFFFAOYSA-N 490.592 5.420 30 20 JKED Cc1sc2nc(CCC(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)nc(O)c2c1C 750396622 CIOOADXNTNBYDO-BSRLHWHNSA-N 492.670 5.747 30 20 JKED Cc1cc(C)c2cc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)sc2n1 761912871 LJXRDTQGOFCAJC-UHFFFAOYSA-N 472.570 5.047 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CC(F)(F)F)c1 799217218 LINJTSRJSYKSCR-GOSISDBHSA-N 494.495 5.043 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1ccccc1C(F)(F)F 799219779 XREWFLFRACSGRH-OAHLLOKOSA-N 493.404 5.367 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CC(F)(F)F)C1=O 799219924 ZSQXQBWIOYGDNS-GOSISDBHSA-N 499.942 5.651 30 20 JKED C[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 808332940 WVWDWLQHPPMQKE-ADVUTCEVSA-N 468.768 5.050 30 20 JKED C=CCN(C(=O)CSc1nccn1C1CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 830268939 FDXWDLFAALSKHN-UHFFFAOYSA-N 465.431 5.960 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N([C@H](C)c2ccccn2)C1=O 837705329 KJEDRZMHRGSDCG-OPAMFIHVSA-N 495.004 5.465 30 20 JKED CC(=NOCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1nc2ccccc2n1C(F)F 844257401 OTJVEVIXSUHZRQ-UHFFFAOYSA-N 451.355 5.441 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(NC(C)=O)c3)N(CC(C)C)C2=O)cc1 913118828 DJFPBSDXDSDAGO-HSZRJFAPSA-N 496.633 5.050 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)COc1ccc(C2SCCCS2)cc1 914521686 JDPRYEHLBFMIJA-UHFFFAOYSA-N 450.585 5.632 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C 914539432 BIXZXMGYESXXQS-HSZRJFAPSA-N 488.613 5.176 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2N(C)C)c1 914724988 CNYTYYJICMWPKU-UHFFFAOYSA-N 469.994 5.040 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cnn1-c1cccc(C(F)(F)F)c1 915199529 DWACLUPUASSFLG-HSZRJFAPSA-N 460.459 6.107 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OCCOc1ccc(C#N)cc1 915569913 ALEFSDIGQKZKHR-UHFFFAOYSA-N 458.898 5.209 30 20 JKED N#C[C@H](C(=O)COc1ccc(I)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916652485 ADBCTHQBTXEEII-MRXNPFEDSA-N 494.741 5.323 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1Cl 916683628 AKVSIWMLVCZANG-SANMLTNESA-N 489.019 5.526 30 20 JKED C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916721938 CTHIGWWXNNXFDN-IFMSOTMUSA-N 477.030 5.158 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)[C@H]1c1ccc(OC)cc1 916848961 QMDDOWFBCLAODP-QHWMMSMNSA-N 455.558 5.200 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916887214 LRPPQGDXUTWPMF-LJQANCHMSA-N 487.553 5.235 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 916904604 GZLZOEOTBFICPQ-NRFANRHFSA-N 480.524 5.184 30 20 JKED Cc1ccc(Sc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])cc1 916911250 VCJJJIMNBJRQPA-QGZVFWFLSA-N 465.918 5.669 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 916949814 PWKWYPFMHBINCO-KBMIEXCESA-N 474.582 5.135 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)NC(=O)c3cccc(Cl)c3Cl)n2)cc1 916974793 QWOAKXUZBKYZMF-BBRMVZONSA-N 458.370 5.420 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031019 OALZHXIJWAQXOM-FEPGAULTSA-N 488.657 5.731 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 917562244 XKWNAOHKUBMMHX-UITAMQMPSA-N 462.314 5.939 30 20 JKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1c[nH]c2ccc(Br)cc12 917592121 ZAYQJILMUHMHQZ-UHFFFAOYSA-N 477.185 5.122 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccc(C#N)cc3)C2=O)c1 917668360 WVJRJUUWZQTVNB-XMMPIXPASA-N 484.581 5.036 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917700952 MRVPONYCGCSMMH-OPAMFIHVSA-N 463.628 5.133 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 918113639 UFAZJYRWPMISLS-SANMLTNESA-N 475.504 5.761 30 20 JKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)N1c2ccccc2Sc2ccccc21 919207457 XIXQYNRIQBBXLO-QGZVFWFLSA-N 460.580 5.553 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1 919214159 HKOJYCQVWYCYTN-SFTDATJTSA-N 457.530 5.022 30 20 JKED CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 920113487 XVKUZVHPJJAEOD-YKSBVNFPSA-N 476.001 5.663 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cc(C)on3)C2=O)cc1 920354599 FEMPKBISVFXLIU-JOCHJYFZSA-N 462.575 5.069 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)[C@H](C)Oc2ccccc2C#N)cs1 920520368 SDWSPDQBKIBJKI-AWEZNQCLSA-N 489.475 5.229 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1C 920893757 YVJZEKBKDZTXLU-MRXNPFEDSA-N 468.916 5.057 30 20 JKED FC(F)(F)COc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1 921258816 ORVDMDLQIGVUDC-UHFFFAOYSA-N 477.295 5.276 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786575661 FOWORAFUXNPWFD-DENIHFKCSA-N 469.626 5.122 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C#CC4(O)CCCCC4)CCC3)cc2)c(C(F)(F)F)o1 1787398260 DYXOWCWCSRYSPT-UHFFFAOYSA-N 488.506 5.053 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1 1787619004 LPUALDNTLAQWMT-QHCPKHFHSA-N 481.637 5.008 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787952144 WMKFCNBCGWVGAS-VLYJIQRVSA-N 477.674 5.453 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CNc5ccccc54)cc3)CCC2)cc1C#N 1788049091 QAWVHWOINREEJS-VWLOTQADSA-N 494.595 5.302 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cnc5cc(Cl)ccn45)cc3)CCC2)c1 1788384077 VNWMJDCHZNJAJK-UHFFFAOYSA-N 497.986 5.240 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)cc2)CCC1 1788685033 LYZRXIYAIMJCGJ-GOSISDBHSA-N 458.562 5.045 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)c(C(F)(F)F)c1 1788728378 VLZXLPNGGVASAK-UHFFFAOYSA-N 483.494 5.349 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)C#CC3(O)CCCCC3)CCC2)cc1 1788791744 VXGYHSFUIZSHRU-UHFFFAOYSA-N 488.506 5.053 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)CCC1 1789091800 ZFRGNOLQHRIDDS-VAWYXSNFSA-N 469.566 5.416 30 20 JKED Cc1cc(C)n2ccc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5Cl)cc4)CCC3)c2n1 1790767664 GDOVXZISJVZOPG-UHFFFAOYSA-N 497.986 5.538 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)cc2)CCC1 1790817312 KZZRWTWOBLTMHE-OAQYLSRUSA-N 490.522 5.035 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(O)c4cc3OC)cc2)CCC1 1790927523 UAGKGLBFDHJEKV-UHFFFAOYSA-N 476.598 5.221 30 20 JKED Cc1ccn2ncc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@@H](C)C#N)c5)cc4)CCC3)c2c1 1792123574 JWQPBBLRYGVWHL-FQEVSTJZSA-N 477.568 5.331 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(F)CCCC=C1F)C2 1800504663 YYFMTKXERGFMQL-JLMYGFKKSA-N 474.551 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Cl)ccc1Br 1801591027 QGLFFLFTHHVRRD-REPLKXPHSA-N 481.862 5.276 30 20 JKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccc(OCc3ccccc3)cc1)C(C)C)C2 1802306400 WQSDBTQGTSUHLP-OWWCKCFISA-N 486.656 5.447 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@H]1c1cccnc1 1802500077 WAHWVLIHBAYTBK-KOSHJBKYSA-N 480.559 5.153 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1803082054 NFUXCAPFVKDSJY-SVEHJYQDSA-N 494.639 5.540 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803602748 DXSQGCZMKXDEED-AHRSYUTCSA-N 499.986 5.028 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(F)cc3C(F)(F)F)CC2)C1 1805451792 GICIKPLNZSJZEZ-UHFFFAOYSA-N 480.546 5.387 30 20 JKED O=C(CCCC(F)(F)F)N1CCCC2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)C1 1806547629 PEQLGHUEXBQCFL-UHFFFAOYSA-N 482.440 5.422 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1810173740 BDNDRNNQXIMBKC-QFZWGZQFSA-N 477.008 5.304 30 20 JKED Cc1ccoc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811250660 AVCRWFQQRYBBHA-WUFINQPMSA-N 489.575 5.016 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)n3ccccc23)[C@@H]1c1cccnc1 1811262725 CYJYDDLXSQYINY-HTLVZCCDSA-N 492.623 5.533 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811832138 NPMMACYLQNTXJA-JPYJTQIMSA-N 497.357 5.033 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1812523000 WYIBTGWCTINWRV-YIXXDRMTSA-N 492.063 5.446 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCCC(=O)OC)[C@@H]1c1cccnc1 1812592072 JXUUIPYCWQKEPX-KSCKTEMCSA-N 499.696 5.374 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812669181 ULPTZMPKVDRPCB-AKIFATBCSA-N 489.994 5.392 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1812676226 NCNBUVHROUYYCD-OXJNMPFZSA-N 482.358 5.228 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccnc1 1813902405 JKRKKIIQUTYCLP-OFNKIYASSA-N 470.013 5.056 30 20 JKED CC(C)Oc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCC3CCCC3)[C@H]2c2cccnc2)cc1C#N 1813958849 DHHLFLRZUXCFBH-CUBQBAPOSA-N 488.632 5.030 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)cc1 1814379281 MQBZPFCVOFUKNG-JOCHJYFZSA-N 495.505 5.239 30 20 JKED Cc1c(F)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814610235 OLSIRFAOPRVVKR-WAIKUNEKSA-N 459.525 5.104 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)ccc2F)n[nH]1)c1cccs1 1814620915 BCYOAZSAYCFORH-BLGFXRMMSA-N 486.956 5.009 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)c3ccc(Cl)cc3)n[nH]2)c1 1814659351 GRDFGYFIXLVGOT-MWTRTKDXSA-N 491.979 5.053 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1815659650 XZTWYPBWUFTAPH-KRWDZBQOSA-N 497.846 5.051 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(F)(F)F)c[nH]2)n[nH]1 1818207923 KLTAXANSRGRWLV-IBGZPJMESA-N 493.606 5.114 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985206 SGBLSUVSYCHIIV-ICSRJNTNSA-N 493.555 5.170 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)no2)n[nH]1 1819794613 JEKIRUQSBUCPRL-QFIPXVFZSA-N 459.550 5.139 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)CC2 1820098436 SFICSWWCYIYPLY-CYBMUJFWSA-N 469.529 5.282 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)n1cccc1 1820219420 RVPMNYAAZKTECA-LEWJYISDSA-N 478.984 5.084 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820221499 WALRTOIHAPQZSB-LJQANCHMSA-N 483.906 5.141 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1cccs1 1820223623 NEGPYQVJWOBECV-KDOFPFPSSA-N 467.982 5.106 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)n[nH]1 1820965792 RXJDMIATQLUWPD-JARREKRNSA-N 487.604 5.374 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)cc1 1821179817 FRVDLGBUWACFOU-CQLKWFSRSA-N 485.613 5.396 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821182713 YWTXPDSDUMXCIP-QHCPKHFHSA-N 494.555 5.059 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)[nH]n2)c1 1821324421 WQGDCJQAGSGHPO-VWLOTQADSA-N 490.567 5.272 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)cc2s1 1821443006 CYRZNZYARYTNHJ-IVZQSRNASA-N 486.601 5.508 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)[nH]n2)c1 1823215933 KTOOVGJZHGKMJH-KHCICDEESA-N 455.562 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)n3)[nH]n2)c1 1823217020 GAOFOSJIUMLZAL-MGPUTAFESA-N 496.493 5.070 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823304280 VZFLKKLVIJUWCP-IBGZPJMESA-N 465.356 5.355 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1823668564 AJNSGOMLVMXXCT-KDYSTLNUSA-N 496.611 5.516 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)ccc(F)c1F 1823686201 RIMKNELSFBEJON-VWLOTQADSA-N 479.571 5.011 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2Br)CC1 1823929985 OOOAEIKNEJJQLV-IIBYNOLFSA-N 465.407 5.034 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)CC1)C(F)(F)F 1824242943 PCZPPHWMHXBWOI-YADHBBJMSA-N 450.545 5.164 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@@H](S)C(C)C)CC3)c[nH]c2c1 1824543366 ACDZOUIICVGYFE-GXLFNDEZSA-N 467.679 5.064 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CC(=C)C)CC1 1824760008 AHEDKNROJPABLI-GOTSBHOMSA-N 489.701 5.068 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1 1824762657 QCCBOPKEGAQSTM-PKTZIBPZSA-N 489.701 5.046 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827266941 SHSFVPKKFZVYNI-GOSISDBHSA-N 481.996 5.394 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1)C(F)(F)F 1827520063 PMBKMXRJUBAWBW-LJQANCHMSA-N 481.946 5.482 30 20 JKED Cc1ccc(CSCCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830016888 NJUJNUCGBWAMEL-MHZLTWQESA-N 489.685 5.424 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC=C(C)C)CC1 1830359325 UFVYASPQPYCIRS-RPWUZVMVSA-N 489.701 5.212 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Br)c3F)CC2)cc1 1830503089 GKSFSAISNXBOOI-QFIPXVFZSA-N 498.396 5.007 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830717269 SDWCPTOTYXTFGE-SANMLTNESA-N 477.580 5.033 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)c(Cl)c1 1830720538 QVPJIMJAFAKAEI-VWLOTQADSA-N 494.010 5.316 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)c(Cl)c1 1830721717 UWKGERMAUJNNFG-DWOOMVRVSA-N 461.993 5.158 30 20 JKED Cc1ccoc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830757056 YWJHLMSVTNHHCX-NRFANRHFSA-N 473.495 5.026 30 20 JKED COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc(C(F)(F)F)c1 1830802525 FPCXXNUJPQRDHT-XMMPIXPASA-N 499.533 5.133 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3nn(C)cc3c2)CC1)c1ccccc1 1830856567 KGZJYEMYZLGRDI-PXJZQJOASA-N 496.655 5.004 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)c1 1831790615 JUKSYGOPRBEVFX-XGIDPOPLSA-N 469.629 5.351 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccoc2)CC1)c1ccccc1 1832348242 RIGJVBLABABWSI-SVBPBHIXSA-N 460.618 5.029 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1832632393 OSWFDLVXPGQJCX-HTAPYJJXSA-N 499.442 5.563 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)c1 1832632688 BAOVIPIXDRTQSH-MHECFPHRSA-N 474.630 5.404 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccncc34)CC2)c1 1832634407 QZYXYNJFPXWXQL-KMRXNPHXSA-N 480.612 5.409 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)c[nH]c2c1 1832961751 MFMGNEYQWCPAAL-NURAEYDSSA-N 480.612 5.295 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1838276879 HBASDLBPKHDWJP-ZNZIZOMTSA-N 485.068 5.211 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3cc(F)ccc3OC)cc1Cl)C2 1845980562 ULKVQPUCVHDLMN-KRWDZBQOSA-N 470.972 5.184 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2ccccc2c(Cl)c1OC 1847532673 QDIZIYMRABFQGB-VXKWHMMOSA-N 452.982 5.086 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1Cl 9023586 ILVLYJAIMRAMPF-FYSMJZIKSA-N 484.025 5.131 30 20 JKED C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2)C(=O)Nc1ccccc1C#N 10301392 HFLGSRIDQNQGQX-BDBAMQCISA-N 477.520 5.760 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2Cl)cc1 10827296 AHLIOBDDABEIPP-UHFFFAOYSA-O 450.027 6.120 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccc(F)cc1 10925734 XYEAGIFLQDZCMG-INIZCTEOSA-N 471.627 5.573 30 20 JKED C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1cccc(C)c1 14082137 AFPGSUFFWBLGMK-UHFFFAOYSA-N 463.632 5.372 30 20 JKED CCc1cccc(CC)c1-n1c(SC[C@H](O)COc2ccc(CC#N)cc2)nnc1-c1cccnc1 15234350 WAASYFWYGOLWIX-XMMPIXPASA-N 499.640 5.052 30 20 JKED N#Cc1c(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)sc2c1CCCCC2 21157967 LJUWPLHVKLQDKR-UHFFFAOYSA-N 488.436 5.167 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F 21609613 OABJFEQATIOXRE-UHFFFAOYSA-N 486.500 5.068 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccccc2CC)cc1 22731354 HELLPJMKOFBEGK-UHFFFAOYSA-O 484.439 5.749 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)n[nH]c1=S 23041875 PUIVSZVNLWGXHC-UHFFFAOYSA-N 475.690 5.295 30 20 JKED Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1-c1ccccc1 24014358 KYMNKICPDCZPNV-OAHLLOKOSA-N 475.599 5.377 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1ccccc1 39221653 YFOFTCPYUREOPC-XMMPIXPASA-N 470.598 6.002 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 104498132 UOZRAZPIEBTPKH-UHFFFAOYSA-N 486.572 5.874 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 195746688 SIZYHLKIJQYKRC-UHFFFAOYSA-N 463.994 5.547 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 303292921 MUGCWKZXUUEPBN-KRWDZBQOSA-N 463.632 5.329 30 20 JKED C=CCN(C(=O)c1ccc(F)cc1I)c1nc(-c2ccccc2)cs1 327599446 HEDNYCVNNIMUGC-UHFFFAOYSA-N 464.303 5.387 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 484914862 FHNCRWFPODWGDI-UHFFFAOYSA-N 474.561 5.275 30 20 JKED Cc1sc2ncnc(SCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2c1C 501444921 QEXJCAAAELUGCM-UHFFFAOYSA-N 474.611 5.684 30 20 JKED C=CCN(C(=O)COc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 502763537 PXFRTSUUBBOFAW-UHFFFAOYSA-N 497.425 5.118 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(NC(=O)c4ccncc4)cc3)cc2Cl)cc1 503413060 RMJDPOQCPKTMTJ-UHFFFAOYSA-N 497.942 5.973 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cs2)cc1 507058074 LEIONSVRIFSLBU-QGZVFWFLSA-N 490.610 5.678 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 508383034 AMBZMXCMYKEOLL-UHFFFAOYSA-N 453.542 5.196 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C 510242427 NSBQKEFUUPGOLZ-UHFFFAOYSA-N 454.505 5.782 30 20 JKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSc1ncc(-c3ccc(Cl)cc3)o1)CCCC2 512078384 MBEGRKFJVZIHRP-GOSISDBHSA-N 497.020 5.457 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cn2c1 513175312 GHBVUZYKOPEVFU-LJQANCHMSA-N 450.420 5.126 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1 513653116 DGMBWOPWKUQYSD-HXUWFJFHSA-N 454.555 5.103 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cs2)cc1 513693011 YROKTRYCFPCIJG-QGZVFWFLSA-N 474.611 6.013 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)COC(c3ccccc3)c3ccccc3)c2)c1 515447651 YARLHRYFPQMFEF-UHFFFAOYSA-N 461.521 5.555 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc12 515540147 LNAQZMGBEADQPC-INIZCTEOSA-N 481.915 6.284 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1NC(=O)c1ccccc1F 515542485 PIASIHXRXQUFII-HXUWFJFHSA-N 455.514 6.000 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 517529772 UCKBWUDKBFLEEV-CYBMUJFWSA-N 467.473 5.241 30 20 JKED Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)n1C1CCCCC1 518315698 TXODSIDJOSAMRQ-UHFFFAOYSA-N 451.621 5.878 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)c1 519506862 IHLUTEYPVUQXNF-UHFFFAOYSA-N 467.382 5.341 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCSCC(=O)Nc1ccc(Br)cc1 520150633 RXGYGPAYXAZCMO-UHFFFAOYSA-N 488.451 5.067 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 521121828 SSFKLUCTOBLBAC-XMMPIXPASA-N 496.954 5.438 30 20 JKED COCCCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 523961307 HZDBAEIEYVUCDS-MRXNPFEDSA-N 462.358 5.417 30 20 JKED CCn1c(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nnc1-c1cccs1 524456972 WRTNRAZWZYJDMN-UHFFFAOYSA-N 493.589 5.347 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 584187370 BQAYLLLYXBKXTE-KRWDZBQOSA-N 495.004 5.089 30 20 JKED C=CCOc1ccc(C(=O)N(c2ccc(OCC)cc2)C2CCN(CC(F)(F)F)CC2)cc1 591038818 RUGSUNHXRMNCJV-UHFFFAOYSA-N 462.512 5.324 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CSc3cccc(C(F)(F)F)c3)s2)cc1 603449232 FDUBEAQVPSOYJB-UHFFFAOYSA-N 466.535 5.452 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 603568020 ATEOWBZQNJLQSA-XLNRJJMWSA-N 463.537 5.475 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2cccs2)cc1 603801781 MMHAZIURESRIFG-KBMIEXCESA-N 459.619 5.149 30 20 JKED Cc1nc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)sc1Cc1ccccc1 603816908 TZJDSLPTMHWAHL-UHFFFAOYSA-N 473.558 5.017 30 20 JKED N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)cn2)c1 603978861 FVTIFEHEMCPPMI-UHFFFAOYSA-N 453.829 5.219 30 20 JKED CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1Cl)C1CCCCC1 603982973 XDSWATNAYNHFDS-UHFFFAOYSA-N 466.390 5.071 30 20 JKED Cc1csc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)n1 604089864 OSZYHQVEIIJYQK-UHFFFAOYSA-N 453.955 5.123 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(OCC(F)(F)F)cc1 604430391 LJHXMDJCKXLDHV-HNNXBMFYSA-N 456.424 5.569 30 20 JKED COc1cc(CCC2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)cc(OC)c1 608811449 VHLSKIILBUCENQ-UHFFFAOYSA-N 474.557 5.232 30 20 JKED Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)n1 608915269 LOTKZJXTGCEODG-UHFFFAOYSA-N 455.484 5.822 30 20 JKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(OC)c1OC 609063101 XGRYGBMQXKMGLI-UHFFFAOYSA-N 452.894 5.069 30 20 JKED C=CCN(C(=O)Cc1ccccc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 609148727 BGWOEFYJOUHGFF-UHFFFAOYSA-N 458.337 5.243 30 20 JKED CN(C[C@@H](O)COCc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609206234 FVCUHHHLBUFPMH-ISKFKSNPSA-N 463.965 5.037 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)NCCc4cccs4)CC3)c2)cc1 609209746 KOASBKOPMVYGLM-UHFFFAOYSA-N 474.586 5.015 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cc(F)c(Cl)cc1Cl 609400037 FOSZLSSDIQNPJB-NEPJUHHUSA-N 454.354 5.200 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 609403366 QKVHTKLTJZUETB-FDDCHVKYSA-N 478.017 5.630 30 20 JKED O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618463889 BNVNYEKFRHBSDL-AOOOYVTPSA-N 497.301 5.476 30 20 JKED N#C[C@@H](C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1 620304483 DDRCSONRVXRCMT-IBGZPJMESA-N 494.544 5.552 30 20 JKED Cc1nc(COc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)no1 642282132 NTKBOUDBFWUKTK-OAHLLOKOSA-N 458.421 5.076 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 726321921 CAZIFFIJIJUDJP-VMWRSERWSA-N 477.552 5.747 30 20 JKED CC(C)C[C@H](C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 726559747 OCGNKUNCCHEXPS-CQSZACIVSA-N 474.797 5.116 30 20 JKED C=CCOc1ccc(/C=C(\Cl)c2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)cc1Cl 727264920 ZZWMFDSMLLNALE-LCYFTJDESA-N 451.331 5.035 30 20 JKED C=C(C)COc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 727330419 IMIWBSULYVWFDE-UYRXBGFRSA-N 458.630 5.323 30 20 JKED N#CCOc1cccc(/C=C2/CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)O)c1 727744070 BSVJJGJPNWXYBM-JCMHNJIXSA-N 461.521 5.392 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1nc(-c2ccccc2)cs1 728110712 QRMPJPOMNBRURB-MRXNPFEDSA-N 473.510 5.038 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)o1 728166062 VFDUWMBBINZVAO-UHFFFAOYSA-N 451.866 5.349 30 20 JKED N#Cc1cc(NC(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)ccc1F 728179848 HTDDTVCJLDXYJX-UHFFFAOYSA-N 478.599 6.219 30 20 JKED COc1ccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)c2ccccc2)cc1Br 728688219 WAACEFOCRZFLSD-JOCHJYFZSA-N 466.335 5.271 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(CCCCC#N)C2=O)cc1 728780366 RVIXAMHWQXKDFK-NRFANRHFSA-N 452.555 5.097 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 729142361 KNOVDHRAAJUOAZ-SFHVURJKSA-N 488.997 5.405 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCc3c(C)noc3C)C2=O)cc1 730443574 PQBFQDCWJPEIOO-PKWGXKOHSA-N 496.658 5.294 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c1 730531042 NYENJAYXCHNZMY-QHCPKHFHSA-N 494.567 5.125 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2cocn2)C1=O 730711184 ACYPPCUEOZLQJU-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1ccc2c(c1)[C@@H](N1C(=O)[C@@H](CC(=O)Nc3cnccn3)SC1=Nc1cccc(Cl)c1)CC2 730720684 TYCIAZSGVNEHRL-LEWJYISDSA-N 492.004 5.086 30 20 JKED C[C@@H](OC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)Nc1ccc(C#N)c(Cl)c1 730858158 PGMFDLQOODPGGO-LLVKDONJSA-N 463.799 5.069 30 20 JKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 731059951 AEGBPUXMPUSURU-LJQANCHMSA-N 486.593 5.582 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 731063194 KBPBRYOKFNMGAH-OAHLLOKOSA-N 486.018 5.440 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 731067964 MRJMBQDMQCJSIP-LJQANCHMSA-N 497.576 6.198 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2nccs2)cc1 731307667 JCQMRPZNBYYYCO-NRFANRHFSA-N 494.642 5.175 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)n1 747114285 IESOKMRJRIMKBJ-ZDUSSCGKSA-N 466.371 5.169 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(F)(F)F 750397555 NNEQLTYCKJNKBS-KRWDZBQOSA-N 460.477 5.569 30 20 JKED N#C[C@@H](C(=O)[C@@H](c1ccccc1)n1cccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 750668032 MWJWSSZNUOZLRL-FXAWDEMLSA-N 453.354 5.779 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)cc1 799221240 JPNUMUOJULONLW-GOSISDBHSA-N 499.942 5.570 30 20 JKED O=C(CCc1nc(-c2cc(Br)cs2)no1)N(O)Cc1cc(Cl)cc(Cl)c1 901380196 OJXMUHOWEDHKOJ-UHFFFAOYSA-N 477.167 5.218 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C2CCCC2)C2CC2)c1 914573482 ATRVHSDROIOEDA-UHFFFAOYSA-N 489.037 5.277 30 20 JKED N#C[C@H](C(=O)CCn1cnc2ccccc2c1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102805 HUNOPAJDCVVHMD-MRXNPFEDSA-N 469.353 5.093 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CC3CCC3)C2=O)c(OC)c1 915110833 DKMLQYKENITOBW-NRFANRHFSA-N 488.009 5.118 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCc2ccccn2)c1 916206372 OAWODKAINOJDIZ-HSZRJFAPSA-N 493.032 5.555 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O 916210155 BVDJHTYYBWSLPE-FQEVSTJZSA-N 489.544 5.200 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1cccc([N+](=O)[O-])c1 916212298 VZECGNQCIXKRDK-LJQANCHMSA-N 484.921 5.002 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5s4)cc3)ccc12 916627239 HOWDDOBDIGJBAL-OAQYLSRUSA-N 466.518 5.780 30 20 JKED O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 916702555 YPRJZOCHRXPADY-UWVGGRQHSA-N 489.342 5.317 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916915438 DHELDMALGNXOLL-RUZDIDTESA-N 460.489 6.126 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916927186 FEKGCMQCRJIUMA-GFCCVEGCSA-N 472.378 6.293 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 916929093 BGVRMGSRMUKKPS-HNNXBMFYSA-N 464.934 5.019 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)cc1 916973039 SCEKUXMTHAHHRO-RPWUZVMVSA-N 465.578 5.336 30 20 JKED N#C[C@H](C(=O)C[C@H]1Oc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996650 NGPLPENAWMAOTL-BFUOFWGJSA-N 458.326 5.083 30 20 JKED C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044894 VODGLTHGHWYMIK-MWLCHTKSSA-N 459.276 6.266 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2cc(C)c3cc(Cl)ccc3n2)cs1 917542783 QVRLEQKIBFHHKK-UHFFFAOYSA-N 453.930 5.923 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1 917559893 DRMMKZDISJRDMP-XFXZXTDPSA-N 462.571 6.900 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)c1 917663473 CULZYCPKCUUYGV-OAQYLSRUSA-N 499.589 5.065 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccc(C#N)cc3)C2=O)cc1 917664508 JNZFMSAMZGNIJD-RUZDIDTESA-N 496.592 5.230 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCC1CCCC1 917700009 BVLRSOKUOZQOOU-QFIPXVFZSA-N 464.566 5.238 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccco2)C1=O 917704650 WIRXSAPVNLSTNR-NRFANRHFSA-N 478.961 5.274 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(C(C)C)c1 917713864 QVQRVIPBCQBQAO-NRFANRHFSA-N 490.025 5.079 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)c(C)c1 918040061 UIHHGLYMEKCYSY-VUFATCQFSA-N 470.639 5.121 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(S(C)(=O)=O)cc1 918168069 QFXNVMLEXDWWFL-XMMPIXPASA-N 495.000 5.010 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)NC3CCCC3)cc12 919667284 SLESEWJLUJZQNU-OAHLLOKOSA-N 475.401 5.143 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2cc(Br)cs2)no1)c1nc2ccccc2n1C(F)F 920113179 RRGVGUDQPNVLRR-NSHDSACASA-N 492.305 5.114 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 920138125 AISORKPMZZFTEV-PXNSSMCTSA-N 499.514 5.062 30 20 JKED C[C@H](/N=C\c1cc(Br)cc(Br)c1O)c1ccc(N2CCOC2=O)cc1 920941920 ZUTGISTVLUMBDP-GVHCZZSVSA-N 468.145 5.054 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1 921106733 PIRLBESZBOXZCU-UHFFFAOYSA-N 490.006 5.336 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnn(-c5ccccc5)c4C(F)(F)F)CCC3)cc2)C1 1785806649 JGIPZMHNEPCSAI-UHFFFAOYSA-N 494.517 5.605 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1785934576 CIGKFSZQVHBOPZ-XWGVYQGASA-N 456.590 5.048 30 20 JKED Cn1c(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)cc2ccccc21 1786032606 WYAXJZJAUDIWLC-UHFFFAOYSA-N 462.553 5.040 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCC1 1788507892 IINKQMQHEUXFHP-UHFFFAOYSA-N 462.981 5.101 30 20 JKED CCCc1onc(C)c1C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1788777229 APRLTJUYQBUIJL-UHFFFAOYSA-N 470.573 5.188 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc5[nH]ccc5s4)cc3)CCC2)ccc1F 1789102380 DESKIUIUMKVVFW-UHFFFAOYSA-N 472.545 5.231 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)ccc4s3)cc2)CCC1 1789288076 WOSRTNFLNZEMCN-UHFFFAOYSA-N 482.403 5.715 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCCNC(=O)OC(C)(C)C)CCC2)cc1 1789628521 XIEVZIDNXYWGHW-UHFFFAOYSA-N 471.642 5.418 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(C(F)(F)F)o1 1790707286 ISKXOUVTTJFJNA-UHFFFAOYSA-N 482.462 5.129 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790762182 WMBNBYDFLFIHRX-UHFFFAOYSA-N 458.537 5.023 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4)CCC3)cc2)cc(C(F)(F)F)c1 1790785584 STTNEKYHQSOQRF-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)CCC(C)C)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1791255775 FEUHWVAOWXJNQG-QFIPXVFZSA-N 469.626 5.122 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3cc4cccnc4cc3F)CCC2)cc1)C(F)(F)F 1791304858 OLEVWQUKDIMZFM-UHFFFAOYSA-N 471.454 5.169 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccoc3)cc2)CCC1)NC(=O)OC(C)(C)C 1791958263 SBGOSDYQCKGZKD-QHCPKHFHSA-N 495.620 5.206 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Cc4ccncc4)CCC3)cc2)cc1C#N 1792168869 JFUUUWWAXICARQ-NRFANRHFSA-N 496.611 5.367 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204040 GYNRLRIEMHAGPJ-HXUWFJFHSA-N 483.634 5.355 30 20 JKED CC1(C)CCc2cccc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CCC5)cc4)CCC3)c2O1 1792230071 LCWIRFWDOQBNEJ-UHFFFAOYSA-N 457.574 5.232 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2csc3c2CCCC3)cc(C(F)(F)F)c1 1798050094 MZKCMIZIBCSPPL-REPLKXPHSA-N 487.547 5.083 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(F)(F)F)nc2ccccc12 1798204901 YJPHNVNVEAZLRE-RDGPPVDQSA-N 471.523 5.274 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cc3cccnc3cc2F)[C@H]1c1cccnc1 1802500777 OQDWWJXSTZSGSS-CUNXSJBXSA-N 488.607 5.010 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1802857532 MSDSHZVSISFRLR-YKSBVNFPSA-N 472.004 5.115 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccccc3)CCCC2)[C@@H]1c1cccnc1 1802874995 MUNISBJUCYUZFT-OIKPOIBNSA-N 471.645 5.368 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1803089599 CHNVGAXZKQRXNW-QFQXNSOFSA-N 489.019 5.371 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc5ccc(Br)cc5s4)CC3)C2)C1 1804780504 FBPXHVFJZHUINP-UHFFFAOYSA-N 487.463 5.475 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)C1 1804813272 MSADBAKAKNULPB-LTGZKZEYSA-N 491.657 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1809212473 LIIPXGIOMHZVAZ-LXFBAYGMSA-N 498.671 5.613 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1c1cccnc1 1810501439 JCXFLSLXGDKZTF-ZYKLVTIJSA-N 471.645 5.202 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1Cl 1811897664 UJOYNDACFIIZTK-HYBUGGRVSA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3csc4c3CCCC4)[C@@H]2c2cccnc2)c1 1813865220 CNEZSKGCBYQFGF-VQEMNGCCSA-N 498.652 5.282 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938414 MQHRYFUUBQNDJV-HYVJGQCMSA-N 488.032 5.296 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)COc3cccc4ccccc34)n[nH]2)c1 1815651622 PDJUBRKMTFCISF-VWLOTQADSA-N 493.567 5.128 30 20 JKED CC(C)(C)c1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1817710437 HAAVCKYZZRCSIC-OAQYLSRUSA-N 490.995 5.247 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)c1Cl 1818118227 QRJRESXECBIEPB-ZGKFYVQTSA-N 482.993 5.178 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)cc2c1 1818207107 VVTCURRTYDUURJ-OXJNMPFZSA-N 483.597 5.100 30 20 JKED CCCc1onc(C)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1818278304 ZACYHADLYBODBO-FQEVSTJZSA-N 483.689 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccnc3s2)n[nH]1 1818573732 FHWGNHNLRZJMRV-SFHVURJKSA-N 451.596 5.318 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)[nH]n1 1819310235 UQDLAJXZOZINFL-PZJWPPBQSA-N 489.542 5.217 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3ncsc13)CC2 1819758777 KLPYZBLFYQIBSH-INIZCTEOSA-N 496.734 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2C(F)(F)F)n[nH]1 1820468711 QNVNRLLVYALAPO-UZLBHIALSA-N 460.500 5.503 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(C)cc3)CCCCC2)[nH]n1 1820976325 ILHNXINYYRKJLJ-XUZZJYLKSA-N 493.652 5.413 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)[nH]n2)cc1 1821182705 YMIUWUZMRKBWIT-QHCPKHFHSA-N 498.974 5.297 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1821987553 CXDYJOJIFVBWIC-JOCHJYFZSA-N 480.515 5.719 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[nH]n1 1822385174 WDKWZXBNEFPZRN-QKKBWIMNSA-N 498.052 5.114 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1)c1ccc(O)cc1 1822468144 LHGAHBPDXVEMDH-SSEPRJSISA-N 488.563 5.015 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823685355 VSJFFMZNPBPNTE-MHZLTWQESA-N 487.644 5.050 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2F)CC1 1824142262 KGYDWALMTMZMLD-AREMUKBSSA-N 470.629 5.155 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1824145222 DCXKUJANTJQUGG-VWLOTQADSA-N 486.056 5.300 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824784042 SLWDPLVDZLSVJY-QHCPKHFHSA-N 491.717 5.294 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2)CC1)c1ccccc1 1825483784 CXGKNMQOMVSSIC-KAYWLYCHSA-N 488.676 5.069 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1825950405 OEFOMHUSNSJLTK-NEQMZLFVSA-N 496.673 5.619 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1826693555 CYNXIDCZOGIPDD-GOSISDBHSA-N 456.801 5.184 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(OCC(C)C)c2)CC1 1827701443 QBPXSVAPLSKEKM-RPBOFIJWSA-N 467.654 5.118 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827778122 ALNGQNSQSXAWAT-OAQYLSRUSA-N 485.616 5.240 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C)c3ncccc23)CC1)c1ccccc1 1828750209 RASYENSSDIVGEJ-NAKRPHOHSA-N 496.655 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1829067229 GCFSZCYLLSFZOZ-HSZRJFAPSA-N 499.099 5.776 30 20 JKED COc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1C 1829692217 FZBUZCDOBGCCEG-HSZRJFAPSA-N 480.008 5.076 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1830738562 UKMITFWTIJKBGO-KKSFZXQISA-N 461.990 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nscc23)CC1 1830970711 DRYDYKVSBHMKTO-QHCPKHFHSA-N 453.652 5.522 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831298082 ZPMVNJIGEDHNLV-GCJKJVERSA-N 450.545 5.080 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1831445955 OIWYKYFCDARSCU-QHCPKHFHSA-N 467.560 5.193 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cc1C#N 1832702428 IOVSNWIWSJDDHZ-MHZLTWQESA-N 499.655 5.311 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc4ccoc34)CC2)CC1 1838390774 FJQRUBUXNNRZDU-UHFFFAOYSA-N 494.708 5.096 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1838718476 DOHYNAUKDMMYGG-FQEVSTJZSA-N 474.601 5.410 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCCC12CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1846886234 HGWSNKZXPZSTMF-CTYIDZIISA-N 480.424 5.030 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)ccc1Cl 3548246 HATQBEGMLAIBCI-UHFFFAOYSA-N 491.396 5.636 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 10172473 PIWLMZKUORXAEG-UHFFFAOYSA-O 486.060 6.886 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 10172616 MLNRFNPUWRTYJU-UHFFFAOYSA-O 492.665 5.671 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2CC)cc1 10173818 RMFFQEODGRKADS-UHFFFAOYSA-O 474.433 6.293 30 20 JKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)ccc2C)[n+]2cccc(CO)c2)c(Cl)c1 10178790 PYAOEZFTCGNREA-UHFFFAOYSA-O 454.015 5.404 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(C#N)c2)NC(=O)N1CC(C)C 10354682 DJPPOCNMIAFEMK-OAQYLSRUSA-N 456.468 5.212 30 20 JKED COc1cc(-c2nnc(SCc3ccc(C#N)cc3F)n2-c2ccccc2F)cc(OC)c1OC 11020286 LTRDJYMBIMCSDT-UHFFFAOYSA-N 494.523 5.402 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccc3c(c2)CCCC3)c1 14871992 XLFDBBGQEXSKOI-UHFFFAOYSA-O 484.472 6.773 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(Cl)s1 15248004 LIWDPBZTRKPVNE-UHFFFAOYSA-O 496.892 6.926 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCSCc2ccccc2F)c1 17604328 KXTNDOCWFYTLLJ-UHFFFAOYSA-N 479.602 5.091 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)n1 21515158 LTDYOJDGNOAMRA-UHFFFAOYSA-N 489.133 6.625 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731227 XDKGIDXQMFMNBR-UHFFFAOYSA-O 481.641 6.241 30 20 JKED Cc1cc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 22790989 NMIIEYIRQWFGAU-UHFFFAOYSA-O 451.681 5.721 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 26732729 KPVCGYVQQJLYCA-SFHVURJKSA-N 455.470 5.227 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(O)cc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28086431 RDPDQCLIQXRUDL-UHFFFAOYSA-N 481.574 5.195 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1Cl 59000602 WGKIRPXCVXFQSH-VWNXMTODSA-N 459.933 5.365 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 105918510 KQZSMTKHGJOMSU-UHFFFAOYSA-N 451.526 5.028 30 20 JKED Cc1ccc(-n2nc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c3c2CCC3)cc1 108374425 JBXOSNPEUWQLFJ-UHFFFAOYSA-N 462.553 5.567 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)c2)cc1 195694310 YKRZTMGHABYUNG-UHFFFAOYSA-N 487.357 5.737 30 20 JKED C=CCNC(=O)[C@H](C)SC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 208753922 REYJWADXHOMWJB-HTMJNSLASA-N 478.376 5.300 30 20 JKED Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)nnn1-c1ccc(OC(C)C)cc1 303332444 JWTUVISPYAEHQX-UHFFFAOYSA-N 467.529 5.066 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 436625624 FKOZOBNAQVETGZ-UHFFFAOYSA-N 454.313 5.095 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3C(F)(F)F)c2)cc1 482986642 CRTYJCRXQDTIEB-QHCPKHFHSA-N 495.457 5.739 30 20 JKED CC(C)COc1ccccc1CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 492054999 RQIPRYTYTUFMPI-UHFFFAOYSA-N 473.598 5.254 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 499132889 AVOSMRCVGGQDBO-UHFFFAOYSA-N 456.329 5.946 30 20 JKED Cc1cccc(Nc2ccccc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C 501704234 YPHLOMRIUALASG-UHFFFAOYSA-N 452.558 5.410 30 20 JKED C=CCN(C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502944507 IKZBSWYRVSHDII-IYBDPMFKSA-N 492.428 5.201 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1 508141697 IOLSSFMPAUYHTP-UHFFFAOYSA-N 482.609 5.693 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1Cl 510023898 QBDGBGQSNVWSOK-HSZRJFAPSA-N 464.997 5.252 30 20 JKED C=CCOc1cccc(NC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 510037946 ASBIWJMQRZDFRJ-MRXNPFEDSA-N 477.611 5.889 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 511338191 PJCGSLMBHGHBMA-UHFFFAOYSA-N 468.557 5.214 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 511912446 TUZWZCLFNNWGOE-XMMPIXPASA-N 492.000 5.253 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)n2)cc1 514868262 PTDPJWLQLYCMRA-UHFFFAOYSA-N 471.991 5.060 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 515322758 MXEBILWSWFCQDL-UHFFFAOYSA-N 453.523 5.186 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 517467245 RCGRLQQAONNKHL-FQEVSTJZSA-N 457.599 5.215 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c1C(F)(F)F 517847008 KRICLCLPFKJVGT-UHFFFAOYSA-N 476.352 5.126 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 518159556 YCDQUWRQBXYFOW-NIYFSFCBSA-N 485.609 5.108 30 20 JKED C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 518649012 IARHQQBOBBKSGU-OALUTQOASA-N 451.592 5.113 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2sc(C)c(C)c2c1=O 518652757 BENJHYQYCZRTLJ-CYBMUJFWSA-N 472.661 5.220 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 518672946 GOOKWCUJSVYFSX-SFHVURJKSA-N 453.583 5.034 30 20 JKED COc1ccccc1OCC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1 519913735 NJADAMVFBFHGBU-UHFFFAOYSA-N 486.572 5.274 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 521328309 NAJJKUCEFHHYBL-UHFFFAOYSA-N 461.631 5.152 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1C 521441898 KTIWSWHULGAZAR-UHFFFAOYSA-N 460.541 5.876 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 524438223 VWAQSPSZUSDFHK-UHFFFAOYSA-N 480.524 5.613 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 524674812 BONGFSDXEOIOAL-CQSZACIVSA-N 464.418 5.278 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3coc(-c4cccs4)n3)cc2Cl)c1 551398492 RMQKAQIUVZXVII-UHFFFAOYSA-N 464.934 5.829 30 20 JKED Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2C)n1 552988229 QJIJYDOQJYNLKC-UHFFFAOYSA-N 488.539 5.102 30 20 JKED CCOC(=O)c1sc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1C 600840170 AAHGGKHTOMHCME-UHFFFAOYSA-N 479.583 5.088 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H]1c1ccccc1OC 603623860 OKFKJFWMDDDTCB-CUBQBAPOSA-N 498.583 5.473 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OC(F)F 603689400 KMDNWZMDIWZPKV-UHFFFAOYSA-N 468.460 5.410 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)c4cccnc34)c2)c1 603994724 JHWHSFRZTNOOKN-UHFFFAOYSA-N 456.889 5.030 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)cc2Cl)cc1 604027352 WCDOPCFHAPDOKK-HSZRJFAPSA-N 461.905 5.374 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 604135175 IOTGRLVVINEZDY-VWNXMTODSA-N 461.949 5.210 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)c2)c1 608841696 UAGJRYNJZPXGNN-FCHUYYIVSA-N 475.346 5.251 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 608892971 JDKCJZLGCBQTDP-UHFFFAOYSA-N 483.018 5.281 30 20 JKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 608895573 VIMDCRUWTIKPTN-UHFFFAOYSA-N 452.539 5.639 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(CN4C(=O)Cc5ccc(Cl)cc54)cc3)o2)cc1 609059651 SETDKNMJVSWPFJ-UHFFFAOYSA-N 497.938 5.725 30 20 JKED Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)nc1 609078872 BNFKFPXAPVITPB-HSZRJFAPSA-N 483.572 5.032 30 20 JKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 609104055 DCUVWMLWFDULTP-UHFFFAOYSA-N 470.504 5.876 30 20 JKED Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1Cc1ccco1 609212970 LXZDPOFJKFMVKE-MRXNPFEDSA-N 477.977 5.539 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CCCC3)cn2)c1 609254725 GSTXVJQGZPZXSV-DEOSSOPVSA-N 474.948 5.385 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 609377952 SFAJMCVEKJEUJE-SBUREZEXSA-N 457.555 5.133 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)cc1 609400115 KUWGOLKVFNRUQQ-IMWIBFENSA-N 451.636 5.904 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 609404228 LIPMECOQAVXRCH-QRWLVFNGSA-N 463.525 5.409 30 20 JKED COc1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)[C@@H](C)C2CC2)cc1 609424388 BFYFGPUVDXXYJD-NRFANRHFSA-N 469.585 6.287 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 609430482 IFLCWEOVNALWLV-QGZVFWFLSA-N 451.573 5.134 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nnc1[C@H]1COc2ccccc2O1 613907596 IWXONGIEJAPIAB-NQIIRXRSSA-N 484.647 5.034 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 622571711 FWMOHDCIPLJDJA-MRVPVSSYSA-N 459.337 5.425 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)N1CCSc2ccccc21)C(C)C 639394149 CZFNESATHLLWHM-HSZRJFAPSA-N 498.649 5.438 30 20 JKED O=C(NCCc1ccc(C(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642343696 SOEDXTCGVGMHLD-CHWSQXEVSA-N 450.345 5.457 30 20 JKED Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 726143628 LFMCCLIDGFPBSU-UHFFFAOYSA-N 492.605 5.011 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@H](C)OC)cc1 726394273 UJPWGFMSWUPJKT-WMZHIEFXSA-N 467.635 5.251 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 726394459 VTYKFOKHFBTPPG-LIRRHRJNSA-N 497.514 5.230 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 726395759 BESCTQCIUAXZTJ-BFUOFWGJSA-N 498.407 5.518 30 20 JKED Cc1nc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)nc2ccccc12 726396647 FWYXQFOVYILBCS-QHCPKHFHSA-N 499.571 5.238 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cscn2)c1 726412460 RHCKLFDCGQUJNC-NRFANRHFSA-N 495.029 5.247 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccc(CCC)cc2)c1 726573655 OSRMPGLKYWJFHN-UHFFFAOYSA-O 468.429 6.538 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(OC)c(Cl)c1 726888533 ACVSDYLPBPZLJQ-IBGZPJMESA-N 496.416 5.299 30 20 JKED CCOc1ccc(OCC)c(N2C(=O)/C(=C\c3ccc(N(C)CCC#N)cc3)SC2=S)c1 726986405 PNBKNDNQZMKXQT-PXLXIMEGSA-N 467.616 5.240 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)Nc2cccc(C(C)C)c2)cc1 728556326 ITGMDQQFQYBHQV-UHFFFAOYSA-O 496.678 5.167 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(N2CCCC2)cc1 729078093 IYIQMRYERKDEGG-UHFFFAOYSA-N 484.025 5.028 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(CC)cs2)c1 729462115 XRZGZQLFVLFLEA-UHFFFAOYSA-N 492.022 5.001 30 20 JKED N#Cc1cccc(OC2CCN(Cn3nc(SCc4ccc(F)cc4)sc3=S)CC2)c1 729467291 YCRQZCBFMWSQCF-UHFFFAOYSA-N 472.636 5.478 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc(-c3ccccc3)nc21 729889625 ROPKVNFSVVWNMO-HXUWFJFHSA-N 457.921 5.294 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2Cc2cocn2)c1 730718189 GTXLXWQBKVQQAE-OAQYLSRUSA-N 498.992 5.060 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3-c3ccccc3)N(Cc3cocn3)C2=O)cc1 730727740 UUAUKMWWISWMNB-RUZDIDTESA-N 496.592 5.811 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCOCC3CC3)C2=O)c1 730945308 PUFUNEKIJCOXRC-RHNYJVSXSA-N 485.675 5.181 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1 731071191 MMQMGRRTUKUFJZ-MRXNPFEDSA-N 479.583 5.190 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CC(F)(F)F)c1 731313245 UZGCJOMZBWEVOS-GOSISDBHSA-N 465.497 5.038 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1F 743523938 FNWVVZFAVCMWNZ-LJQANCHMSA-N 497.514 5.150 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc([C@@H](C)N(C)C)n(-c2ccc(Cl)cc2)c1=S 745162584 SQVDSRHBXZUONV-GOSISDBHSA-N 467.042 5.197 30 20 JKED CC[C@@H](C)Oc1cc(C=Nn2c(S)nnc2-c2ccccc2Br)ccc1OC 749443923 LDKUQRCLIODBHD-CYBMUJFWSA-N 461.385 5.064 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C(C)C)cc1 799216531 WJFCTCVBXQPMPL-FQEVSTJZSA-N 473.520 5.422 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 837348589 BLIBHMWBBUTSDC-AOMKIAJQSA-N 495.004 5.465 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(C3CCN(C4CC4)CC3)C2=O)cc1 837406129 ZZGPMLIAMJUXIK-VWLOTQADSA-N 490.673 5.199 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(C3CCN(C4CC4)CC3)C2=O)cc1 837445849 DXCGOGWFXGAPBX-VWLOTQADSA-N 490.673 5.199 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)[C@H]3CCCO3)c2C#N)C(C)(C)C1 848943124 WQKRCXZZSUIRCT-OVKVCFKUSA-N 482.627 5.429 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694080 CJPULZJGYHBXBF-UZUQRXQVSA-N 495.576 5.409 30 20 JKED CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 915281067 KMCFOAHMHVWSPE-UHFFFAOYSA-N 497.511 5.146 30 20 JKED COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)c1 916738031 OTJNLPMMRUNNKP-UHFFFAOYSA-N 461.499 5.123 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3s2)[C@@H]1c1ccc(OC)cc1 916846296 PCCKITMXFHCGNI-SKPFHBQLSA-N 461.587 5.261 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 916907123 UUFDNGFURYVNJY-IBGZPJMESA-N 472.526 5.059 30 20 JKED Cc1cccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c1C 917042164 CILBXPVVEJZZHB-GDBMZVCRSA-N 457.477 5.161 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1 917119881 ZSSRNFTXGLYPHA-XZOQPEGZSA-N 474.358 5.096 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2)cs1 917427746 IXXIQTQQRUYRBQ-WMZOPIPTSA-N 482.968 5.723 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C(\C(=O)Nc2cccnc2)C(=O)c2ccccc2)cs1 917558962 BBUNHVPNFUTQCZ-UCQKPKSFSA-N 486.528 5.267 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cccc(OC(C)C)c2)C1=O 917657799 RYVSQSOHABVXBI-LJQANCHMSA-N 480.417 5.048 30 20 JKED CN(Cc1ccccc1)c1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 917818442 LXZGNDFFYYHLOV-UHFFFAOYSA-N 481.556 5.298 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC(OCC)CC2)ccc1Cl 918389470 PSSDPBWQGYVTBX-UHFFFAOYSA-N 497.444 5.016 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 919294806 BWCWUBTYCWKLTJ-UHFFFAOYSA-N 451.615 5.333 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OCC 920106752 ZRZCBGSTAWYOQQ-GOSISDBHSA-N 452.938 5.913 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccccc2Br)o1 920108571 HAXWAUWJWYWXMJ-LJQANCHMSA-N 494.389 5.509 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4cccc(Br)c4)CC3)n2)cc1 920139237 PFVZLDAAPVIMDB-GOSISDBHSA-N 453.361 5.489 30 20 JKED CCCCCCn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c2ccccc2c1=O 920144070 XGDNRFYHIOAZNW-JOCHJYFZSA-N 486.597 5.599 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1nc(C(=O)OCC)cs1 920243350 PPQXTLNDKLNDIP-UHFFFAOYSA-N 473.554 5.376 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)c1 920354420 CMIOVCVJEZXYOS-JOCHJYFZSA-N 462.575 5.069 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccncc2)ccc1Cl 920439587 BTHPLJFXAVQNDM-UHFFFAOYSA-N 490.412 5.042 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(NC(=O)c4ccc(O)nc4)cc3)cc2Cl)c1 1338464845 CKVFIWUNCMQDLR-UHFFFAOYSA-N 498.926 5.396 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)C1 1782090953 YJELDPFUQNSQCV-FMGHJNRGSA-N 472.645 5.072 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCc5ccoc5C4)CCC3)cc2)cc1 1785794685 AAYYZXZDKZKXNW-HSZRJFAPSA-N 467.569 5.023 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)cc1N(C)C 1785797319 GOVATCPFUWKKRH-UHFFFAOYSA-N 496.611 5.013 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)CCC2)cc1 1786102417 NBMQUGCIAVRLHQ-UHFFFAOYSA-N 492.616 5.157 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)CCC1 1786713046 GXAQROOTSMCYMF-FCHUYYIVSA-N 473.617 5.003 30 20 JKED CCc1oncc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1787557169 HGOZZUASDSSTPG-UHFFFAOYSA-N 482.462 5.189 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787950575 DDWFWNDCRWHVNF-XWGVYQGASA-N 479.571 5.710 30 20 JKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)ccc2s1 1789048449 TUZUAGFXQSEGAI-UHFFFAOYSA-N 466.566 5.538 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1 1789491154 BTQXCDBUORZANU-OUNSHVDWSA-N 466.544 5.062 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc5occ(Cl)c5c4)cc3)CCC2)c1 1790091877 AERXPKSFCOUYPA-UHFFFAOYSA-N 458.905 5.347 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCCc3cc(OC)ccc3OC)cc2)CCC1 1790533170 JGQDOYYHBBVBNV-UHFFFAOYSA-N 494.632 5.143 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)[S@](=O)c4ccccc4)cc3)CCC2)c1 1791061785 BZVUKMAAATYGSK-WTFAQHRJSA-N 499.636 5.258 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C(F)(F)F)CCC2)cc1)C(F)(F)F 1791302034 KVFFQUUSRDNVAH-UHFFFAOYSA-N 460.374 5.473 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3csc(C)n3)CCC2)cc1)c1ccc(O)cc1 1791641965 LSQCJJPCLQDEMG-FQEVSTJZSA-N 473.598 5.102 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)c(Cl)c1 1792144469 JXFLGQKIDASKQB-UHFFFAOYSA-N 489.959 5.047 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5ncccc45)CCC3)cc2)cc1C#N 1792168549 OARBTMQOELLDRM-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)cc2)CCC1 1792391947 DEPVTOUELDWSMG-YKSBVNFPSA-N 495.664 5.534 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc(C#N)cc2)cc1 1792638523 QJNWETBGGMIIIT-OOSCYNTBSA-N 463.581 5.028 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#Cc3ccc(Cl)cc3)cc2n1 1792944877 HJUYRYKZTGNFQV-KOUNCHBCSA-N 492.406 5.154 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1797102673 WUDDBJYUPTZULF-BJWYYQGGSA-N 499.411 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1797913212 GFFOLXMQLFNMAM-RACFRKFCSA-N 497.639 5.097 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3sccc3s2)cc1C#N 1798033215 MYWZJNMBDBEZIX-REPLKXPHSA-N 479.627 5.187 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@@H](S)C(C)C)C4)ccc21 1799314139 DNOUSPIBHWHBGL-ZDQHKECQSA-N 463.647 5.021 30 20 JKED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2-c2ccc(C)cc2)C3)c(C#N)c1 1800033775 KQYBYAVTAJAWHP-OOSCYNTBSA-N 493.607 5.037 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2C2CC2)C3)cc(C(F)(F)F)c1 1800744116 FTEVOZVCPXROBX-WKCHPHFGSA-N 467.491 5.020 30 20 JKED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1802292511 LHKNKHROARSVAP-WJMWBRGCSA-N 460.599 5.202 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1802440740 CAJUYXZXYWZIAX-UGSSSBPWSA-N 491.016 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1802493547 WYGAKFIEVZGADY-GGAORHGYSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1802499068 FRFFEYALMVUUIJ-AUSIDOKSSA-N 499.011 5.264 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)CC1 1810345387 HCGCFJLETTUDCS-SFHVURJKSA-N 478.559 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2Cl)N(C)C)[C@@H]1c1cccnc1 1810502346 ICEUHOADHAGUHJ-GPUOULLFSA-N 497.083 5.036 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@@H]3CCN(C(=O)CC#N)[C@H]3c3cccnc3)cc2)cc1 1810602731 WWIJWUQGURERTM-YTMVLYRLSA-N 480.612 5.324 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811272278 KIYNLZPRJWWSGB-UHSQPCAPSA-N 482.628 5.002 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CC[C@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@@H]2c2cccnc2)cc1 1811938028 XBHSJWZPWHWGDO-GPACYAPASA-N 496.636 5.196 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@H]1c1cccnc1 1813226123 KVUWAOQRQWJINT-FIBWVYCGSA-N 497.614 5.325 30 20 JKED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814149298 UBACACGSMUPAJY-GEWUYGHSSA-N 481.706 5.379 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1815207905 PFIZVXDDSODKAW-IBGZPJMESA-N 483.371 5.144 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(OC)c2)n[nH]1 1817741852 XIRPEINUIOEALO-RCZVLFRGSA-N 499.615 5.555 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(CC)nc3ccc(Cl)cn23)n[nH]1 1817959494 NGQBQRPGJHYNNJ-RXVVDRJESA-N 495.027 5.348 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ncsc34)n[nH]2)c1 1819156247 JYRHVSLLIMKNQN-AOMKIAJQSA-N 484.585 5.266 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)[nH]n1 1819307190 BTPXPLOTBWDDIH-YLJYHZDGSA-N 497.596 5.424 30 20 JKED Cc1nc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)o1 1819803749 ZZHFMSPVTDLADR-RUZDIDTESA-N 493.567 5.034 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccncc3-c3ccccc3)n[nH]2)cc1 1820006783 LQAOAWWGKIWNFT-AREMUKBSSA-N 490.567 5.157 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2CSc2ccccc2)n[nH]1 1821264791 IZNSMPYFSCPNIS-HSZRJFAPSA-N 460.603 5.584 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccc(C)cc4s3)n[nH]2)c1 1821527936 NINSNESISKDZCC-JOCHJYFZSA-N 499.596 5.433 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)[nH]n2)c1 1823212013 RUQIKGHEZPEJLC-GAJHUEQPSA-N 475.980 5.239 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC(F)(F)F)[nH]n2)c1 1823212823 WOSMMABSVNZZKN-KXBFYZLASA-N 461.488 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ncc[nH]4)cc3)[nH]n2)c1 1823215761 COIWYCIVRIJHPT-HOYKHHGWSA-N 493.571 5.047 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)CC1 1823292525 MQEKNFVECKKDSB-WMZHIEFXSA-N 475.593 5.121 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823308976 HZPOWBZSWQOYAN-SCLBCKFNSA-N 499.921 5.189 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCc3ccc(C(F)(F)F)cc3)[nH]n2)CCC1 1823375092 OHOIPSRCQCFUPO-FQEVSTJZSA-N 487.526 5.137 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1823992363 PTINAFGGZMTGFX-AFMDSPMNSA-N 496.026 5.582 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1824141031 QAVWRHNCJBZOKI-SANMLTNESA-N 452.639 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc3c2CCCO3)CC1 1824141198 KOWQMTOEAVKSKD-QHCPKHFHSA-N 456.652 5.075 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1824510447 NEEARHASXCLXJY-LAUBAEHRSA-N 475.054 5.379 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)CC1 1827414510 COCNUNLDQZMBRG-NRFANRHFSA-N 453.583 5.160 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 1828826540 GVYPOAQKFWGHPW-MJGOQNOKSA-N 469.573 5.164 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 1828828164 DOENLZOCHQHFGX-UYAOXDASSA-N 452.517 5.300 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccn2)CC1)c1ccccc1 1829203857 JVUWQIFGSANSEG-AHWVRZQESA-N 478.036 5.166 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419054 LMPBPYHYOZLWEO-KNQAVFIVSA-N 451.636 5.256 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829702250 ZICSJUTXTPAYBW-VGOFRKELSA-N 474.001 5.120 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1829999268 SGGGLWOJFMJHDA-DEOSSOPVSA-N 483.534 5.319 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)c2O1 1830014718 CNYDEIPDVNSZCT-SANMLTNESA-N 485.628 5.209 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1830455432 BLQHPVKAQUVRJW-UIOOFZCWSA-N 477.649 5.037 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc4ccccc34)CC2)c(Cl)c1 1830721427 FPIKLVVQKHKXIQ-SANMLTNESA-N 487.003 5.307 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cc(C)cs3)CC2)c1 1830765521 PTBLNSOFTQFBIB-VWLOTQADSA-N 463.647 5.103 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830979119 SWZFLUYZSQRMQG-ZJSXRUAMSA-N 468.663 5.016 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 1831316245 RZZLUYKEUBXEQT-HSZRJFAPSA-N 456.030 5.075 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1 1831444525 NHNQRPLTRZIDAJ-OAQYLSRUSA-N 452.973 5.104 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1)C(F)(F)F 1831453301 YKXCDGULXZHBMA-GLCJEOIMSA-N 460.496 5.184 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c(Cl)cc2F)CC1 1831859195 HCRAUMGPAYFLEH-LJQANCHMSA-N 471.798 5.051 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1832028403 NNIHSLANRPLWLT-QHCPKHFHSA-N 451.636 5.032 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1832030641 RMULBBJZHXPALW-JOCHJYFZSA-N 488.554 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)c1 1832632644 AESOINIMTYQQEW-LYZGTLIUSA-N 495.627 5.251 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1832634717 YYCSSNRYMCDBSM-UQBPGWFLSA-N 489.019 5.386 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)Cc3ccco3)CC2)cc1C#N 1832704931 ZDHKRILMZDBPKN-RLWLMLJZSA-N 491.632 5.051 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)CC1 1837014445 FSYCGQXSYSTQCQ-UHFFFAOYSA-N 486.619 5.346 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1837683325 DOBMENLFYIJQEP-XTBZXYEFSA-N 480.693 5.583 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)CC1 1838743076 BHRFIJUSAUJLSI-NBGIEHNGSA-N 475.073 5.290 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2sc4ccccc4c2Cl)C3)c1Cl 1844735141 IIGNOZAHRPGDGY-UHFFFAOYSA-N 470.381 5.211 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2cccnc2-c2ccc4ccccc4c2)C3)c1 1845522335 OJUDJWMMLNCXRH-UHFFFAOYSA-N 486.575 5.213 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(OC)ccc2OC)nc2sc3c(c2c1=O)CCCCC3 9194597 CXOKEFDIIOQBTC-OAHLLOKOSA-N 499.658 5.049 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172822 NALPJBJWCZJJGV-UHFFFAOYSA-O 477.503 5.857 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCCCC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10438375 ALEJHTPGPHOWFP-INIZCTEOSA-N 471.623 5.252 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10837024 HZLPNGAINFRJKF-UHFFFAOYSA-O 470.445 6.383 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2cccc3ccccc23)cc1 11125552 QJHCRODFUFUXMV-UHFFFAOYSA-O 456.547 5.649 30 20 JKED Cc1ccc2c(COC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc(=O)oc2c1 11683997 AWLDLUQLVHGYJT-UHFFFAOYSA-N 484.533 5.061 30 20 JKED C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)SC1=S 16408011 MASGTTCJNJRPLR-KGENOOAVSA-N 471.563 5.033 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3cccs3)n2)n(Cc2ccc(F)cc2)c1C 16675151 NUQMZKJBHQAXTR-UHFFFAOYSA-N 494.573 5.145 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)nc2cc(Cl)ccc2c1=O 16827295 YFGFJJXKUOQVAS-ZDUSSCGKSA-N 492.826 5.426 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Br)o1 20065948 BPYLHLZYRNPCBJ-UHFFFAOYSA-N 462.394 5.508 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nc2scc(-c3ccccc3)c2c1=O 20852601 PSWSYQWSRKNGOA-UHFFFAOYSA-N 475.595 5.244 30 20 JKED C[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)C(=O)N(CCC#N)c1ccc(F)cc1 23523316 NLKFCLSPBRVEMT-MRXNPFEDSA-N 492.601 5.229 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)CC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 23626050 YYAIDQWFXYCACW-DZGCQCFKSA-N 459.612 5.154 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 32819646 CJQHJWSVBKLBOL-JOCHJYFZSA-N 464.610 5.193 30 20 JKED COc1ccc2cc(-c3cc(C(=O)Nc4cc(C)nn4CCC#N)c4ccccc4n3)ccc2c1 109730560 ZJXCRWDTCABHFF-UHFFFAOYSA-N 461.525 5.735 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nnc1-c1ccccc1F 195569914 MDQSSJQQUQPMFO-UHFFFAOYSA-N 468.579 5.703 30 20 JKED COc1cc(/C=C\C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1OCc1c(C)noc1C 206191513 NLZBPGBUVVLVFO-QINSGFPZSA-N 479.536 5.326 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1Cl 215720233 IDSQSZDYNWNPSR-DEOSSOPVSA-N 479.001 5.964 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccncc1 255929907 PPJDMRZYMLYNEC-LLVKDONJSA-N 468.797 5.606 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)s2)cc1 302979592 JJTZSNPLJJAAMC-QZTJIDSGSA-N 489.651 6.000 30 20 JKED Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1cccc(Br)c1 303309456 FGDMLSYOTOVRAF-CQSZACIVSA-N 455.381 5.590 30 20 JKED N#Cc1c(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)sc2c1-c1ccccc1CC2 483349816 IZAIOAFCWUVVPT-UHFFFAOYSA-N 457.536 5.490 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)CC)cc2)nnc1-c1ccc(Cl)cc1Cl 484130639 DOVJURAXMJXTOG-UHFFFAOYSA-N 490.416 5.517 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 484221877 PKIALTSLUYLPGK-UHFFFAOYSA-N 495.526 5.326 30 20 JKED CCOc1ccccc1NC(=O)[C@H](Sc1nc(C)cc(C(F)(F)F)c1C#N)c1ccccc1 488106353 SJONGWBZAIPRCJ-OAQYLSRUSA-N 471.504 6.151 30 20 JKED O=C(C[S@@](=O)Cc1coc(-c2cccc(F)c2)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 495726316 SANQMUAIODOSSD-XIFFEERXSA-N 494.388 5.406 30 20 JKED CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 498003205 SCYPCBMCTTZAQE-HKUYNNGSSA-N 468.985 5.553 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)cc1 499919305 GLPWQQVQPQBSIR-UHFFFAOYSA-N 496.636 5.390 30 20 JKED C=CCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nc(C(=O)OCC)cs1 501946615 PZIDVSFZTIHAOS-UHFFFAOYSA-N 478.599 5.093 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1 507759824 QXWMIFJLUCBYDN-UHFFFAOYSA-N 460.534 5.568 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1 508260630 TVRZRUVYYAQKBY-XMMPIXPASA-N 471.492 5.143 30 20 JKED CCN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)[C@@H](C)c1ccc(C#N)cc1 509585538 PREWTNQVOBCUJW-KRWDZBQOSA-N 457.496 5.039 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 510683604 QKZQQJVXEMVSPL-GOSISDBHSA-N 475.936 5.282 30 20 JKED Cc1cccn2cc(COc3ccccc3C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)nc12 513175906 MGIOKPNQDYZOCH-LJQANCHMSA-N 450.420 5.126 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 514574984 QVZMMKFVINWTTD-LADGPHEKSA-N 466.368 5.855 30 20 JKED C[C@@H](c1ccccc1)n1c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccccc1 515574095 GYXCEYMVVLYYAV-YADARESESA-N 465.582 5.324 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1Cl 515945719 YUNFESFOLJPANX-XMMPIXPASA-N 494.982 5.731 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 518137921 VLIYVMNPUMUXPG-HXUWFJFHSA-N 482.609 5.981 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 519877560 FTZNCRCNNYUERZ-QHCPKHFHSA-N 488.931 5.057 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)CC2)c1 520578621 VHKBHJDRHRYXHI-QHCPKHFHSA-N 451.979 5.616 30 20 JKED COc1cc(-c2noc(CCC(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)n2)cc(Cl)c1OC 520888907 YHNWQOZZZWMSTC-IBGZPJMESA-N 482.968 5.018 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 521683179 VKLPQEWFHPCMOF-NHCUHLMSSA-N 479.621 5.370 30 20 JKED CC(C)N(CCC#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 522585146 HDDYUUWFJQUZEY-UHFFFAOYSA-N 457.965 5.564 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)cc1 524572494 BQQVXTIMCUSHCG-SFHVURJKSA-N 480.659 5.187 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 551602884 PBLCHIARRLZGTJ-YKSBVNFPSA-N 485.975 5.324 30 20 JKED N#C[C@@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 589019458 SKZQEAAHTZZZNI-AWEZNQCLSA-N 461.465 5.992 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)n2)cc1 603564379 GYXVEEAGNBVWNJ-IBGZPJMESA-N 471.369 5.232 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 603660502 XTDDSEPYSGDJPT-UHFFFAOYSA-N 493.873 5.246 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(OCc2ccccn2)c1 603668650 GVOOMXLFDGHGET-UHFFFAOYSA-N 451.551 5.613 30 20 JKED Cc1cc(Cc2cnc(NC(=O)CCc3c(C)nn(CCC#N)c3C)s2)ccc1Br 603762329 HOLFQXVXSVVARR-UHFFFAOYSA-N 486.439 5.103 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 603946477 KFAVYUHMMLTDSC-GFCCVEGCSA-N 470.019 6.273 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1OCC(=O)NC 604089797 LBBLISALKMUOFB-JOCHJYFZSA-N 492.963 5.402 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccccc2)cc1 604419928 ZZUHHFBKROAXDD-HHHXNRCGSA-N 477.520 5.203 30 20 JKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604522921 XPVBDLYAFLNTBK-GEWUYGHSSA-N 474.004 6.627 30 20 JKED COc1cc(CN(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1OCc1ccccc1 609054663 GEYYLLDBWQTUTE-UHFFFAOYSA-N 482.536 5.590 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CC(=O)Nc1cccc(Cl)c1 609078480 STOOPKZSKPUKEK-UHFFFAOYSA-N 462.937 5.202 30 20 JKED CC(=O)N[C@H](CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 609151736 UOJZDSAJIZRBIY-HSZRJFAPSA-N 466.368 5.666 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 609404928 DTZDBMQUFLRUFS-KBMIEXCESA-N 455.583 5.051 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319286 BLOIDMNVUQPOPL-QFIPXVFZSA-N 484.968 6.180 30 20 JKED N#C[C@H](C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2cc(Cl)ccc2s1 613404036 ZAFHWZYZZHXDME-GOSISDBHSA-N 455.930 5.687 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(Cl)s2)nc2scc(-c3cccs3)c2c1=O 613827831 XQJPLSWBIPLUAM-UHFFFAOYSA-N 494.088 5.496 30 20 JKED Cn1c(SCC(=O)c2ccc(C#N)cc2)nc2scc(-c3ccccc3Cl)c2c1=O 623738796 LOVRNOHMVFVPRV-UHFFFAOYSA-N 451.960 5.162 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCSc3ccccc32)C(C)C)nnc1-c1ccccc1OC 639429219 GJUWYTYSVPAVCU-QFIPXVFZSA-N 480.659 5.395 30 20 JKED C=CCn1c(SCc2nnc(CC)o2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 673296095 MMSILATUZHNYKA-UHFFFAOYSA-N 468.586 5.892 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccsc2)cc1F 726412337 RCRJZWSYIUPZPP-OAQYLSRUSA-N 499.589 5.065 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1F 726412758 UBTCBMMWPANZPC-FQEVSTJZSA-N 487.553 5.195 30 20 JKED CCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(C)c(C)c(C)c2C)cc1 726569966 QLUAIDXYZRIYRR-UHFFFAOYSA-O 460.623 5.277 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1 727027385 KPAZQDQYDOYOAJ-MUUNZHRXSA-N 464.544 6.153 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccccc3C)n2)ccc1Cl 727560402 UOYFVGZWQIXKIE-UHFFFAOYSA-N 453.951 5.184 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C\c1cccc(OC2CCCC2)c1 727953855 PVZKFZCMTPRMBY-JPMGXVIASA-N 452.938 5.339 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1[C@H](c1ccc(Cl)cc1)C1CCC1 729144937 HDHLLHYGODIHBW-UPVQGACJSA-N 493.032 5.353 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(-c2cccnc2)no1 729552693 INYCZLKONZRLQB-DHIUTWEWSA-N 452.518 5.306 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1 729892381 WUQQWXLTQMQZBS-NHCUHLMSSA-N 461.587 6.033 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(OC)c1 730508213 XNAIFZFYTRJOKM-SFHVURJKSA-N 477.558 5.156 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(C)c1ccc(Br)cc1 731070866 ODPOKBSTWCAFHK-OAHLLOKOSA-N 475.408 5.160 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731305629 FIPMZLZMTRJXKQ-DEOSSOPVSA-N 489.597 5.089 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731313092 SLWWWOUAQFGLDL-QFIPXVFZSA-N 477.611 5.103 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 732959352 ZYEFFMQPQVORPX-UHFFFAOYSA-N 478.570 5.168 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C=Nn1c(S)nnc1COc1ccc(C(C)C)cc1 744807371 ZRURTWLFRPIFFL-UHFFFAOYSA-N 464.570 5.093 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccc(Cl)cc1Cl 747111634 HSKHDKLPKFPQJQ-CQSZACIVSA-N 499.206 6.314 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 749651993 YMLGVZHHFDTYRH-ZEQKJWHPSA-N 489.616 5.389 30 20 JKED Cc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1-c1ccccc1C(C)C 750392780 SKEOLNGEHPQPIR-QFIPXVFZSA-N 479.540 5.453 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(CC(F)(F)F)C1=O 799212219 GVUCBWBUTKWYTH-FQEVSTJZSA-N 493.551 5.615 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 838088984 IEVBWICKXHEEMY-WZONZLPQSA-N 474.586 5.202 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1[C@@H](C)c1ccccn1 838188244 YWYIYIIPUSVYKX-UUOWRZLLSA-N 488.613 5.374 30 20 JKED COc1ccc(/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)Nc2ccc(CC#N)cc2)cc1OC 876424525 CAHGXPVPKWPKGW-STZFKDTASA-N 494.494 5.559 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(-c3nc4ccccc4s3)nc3ccccc23)n1 899919533 RZINCARJUUREIY-QGZVFWFLSA-N 484.562 5.310 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)ccc1OCc1ccncc1 912804393 KTUAVTNLSRULGD-UHFFFAOYSA-N 489.601 5.134 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 914498871 VBKGSJGNWBPSOH-ACCUITESSA-N 459.546 5.203 30 20 JKED N#C[C@H](C(=O)CSc1n[nH]c(-c2ccccc2Br)n1)c1nc(-c2ccccc2)cs1 914527499 RLLLMPZRMHPORM-OAHLLOKOSA-N 496.415 5.326 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc([C@H](C#N)c5ccccc5)cc4)nc(O)c23)C1 915087563 VHIXGSXWBWNTPU-VGOFRKELSA-N 482.609 5.748 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)n2)cc1 915099878 FEZOAVINZGASIQ-QHCPKHFHSA-N 457.599 5.166 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]2c2cc(OC)ccc2OC)c1=S 915201982 KYLOBURLYHCMHI-JOCHJYFZSA-N 450.608 5.003 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 915352928 KPGRXNPUMVZLMX-CUDHKJQZSA-N 469.429 6.373 30 20 JKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OC(=O)c1ccc(F)cc1 915849090 XIGQVOCKVJBRFK-HYARGMPZSA-N 476.529 5.562 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(OCc3ccncc3)cc2)c1 915956552 VSIJZQYZLCQZDB-UHFFFAOYSA-N 473.602 5.434 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3Cl)N(C3CC3)C2=O)cc1 916213182 BCQNRBVRIDJECN-IBGZPJMESA-N 476.385 5.319 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(CC(C)C)C1=O 916215345 TYMNYBLBIPUDNS-JOCHJYFZSA-N 469.607 5.100 30 20 JKED CCCOc1c(Br)cc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1OC 916278616 YNFQAECXEGYXPZ-UHFFFAOYSA-N 481.803 5.329 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2C(C)C)cc(Br)c1OCc1ccccc1 916312643 IIWORFWLZIUFMQ-UHFFFAOYSA-N 475.412 5.313 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2cccc(Br)c2)o1 916910191 GBDWXJNQWQYWFC-INIZCTEOSA-N 473.710 5.236 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4cc(Cl)cc(Cl)c4)cc3)o2)c1 916945277 USOSKHRBQJKJTC-OAQYLSRUSA-N 491.334 5.980 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2=Cc3cc(Br)ccc3OC2)cc1 916948441 GSJZGSPRANOWIN-JLTOFOAXSA-N 453.336 5.086 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 916955721 TXTNOJSHMKEMHL-IERDGZPVSA-N 472.511 5.178 30 20 JKED N#C[C@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 916967755 XSSUYUZDNLJCTK-BWKNWUBXSA-N 492.984 5.281 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977453 QXXZNSIXRYYRLA-OAQYLSRUSA-N 486.000 6.085 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)[C@H](C#N)c4nc5ccccc5n4C(F)F)nc(O)c23)C1 917041051 OKFGQCIJYUZKHB-OCCSQVGLSA-N 481.528 5.076 30 20 JKED CCOc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)c1 917675586 QIASWQGWTYJIAN-DEOSSOPVSA-N 489.597 5.254 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918306438 XAMWTDORWLVBME-UTKZUKDTSA-N 454.555 5.110 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(OCC)CC2)c1 918389257 DROYVQZMBUHPRA-UHFFFAOYSA-N 497.444 5.016 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc2c(c1)CCC2 920175905 MQIXWBAUHAZQPP-IBGZPJMESA-N 472.397 5.076 30 20 JKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 920807025 WCCROWLTZFCIGM-INIZCTEOSA-N 467.522 5.853 30 20 JKED N#CCCn1cc(C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 920839819 NBHOTLJTMGSLPP-UHFFFAOYSA-N 483.440 5.166 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C(C)C)nn4ccccc34)CCC2)cc1 1786366602 OJZQLHYDLWIHAJ-UHFFFAOYSA-N 474.605 5.188 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)[nH]c2c(Cl)cccc12 1788029255 AEQYKLFMYVQZAM-UHFFFAOYSA-N 492.023 5.159 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)CCc3cccnc3)cc2)CCC1 1788279821 RYGDZFRJRBJAEA-UHFFFAOYSA-N 461.682 5.199 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)[nH]n3)CCC2)cc1 1788650774 QTDLTXJHQLGOMF-BUHFOSPRSA-N 496.592 5.325 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1789513167 QUUHCJLFNVISDC-STBIYBPSSA-N 477.996 5.041 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1789560654 IYJZXMUTHTTZJB-GCFUEJLLSA-N 495.963 5.363 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)ccn4)cc3)CCC2)cc1C#N 1789721981 FHYPCLOWQWOJPG-UHFFFAOYSA-N 488.975 5.455 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cnc3OCC)cc2)CCC1 1789840465 RTZUAUALUDUZTA-UHFFFAOYSA-N 463.912 5.093 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cccc4Cl)CCC3)cc2)c1 1790147090 FMFYTZSBDUONRL-UHFFFAOYSA-N 453.329 5.255 30 20 JKED CCSc1cccnc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1790208669 FFPGXDIFSGYQIL-OUKQBFOZSA-N 491.638 5.442 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3Cl)CCC2)cc1 1791728799 KJJQNZODMZYJDL-UHFFFAOYSA-N 452.982 5.219 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)c(C)n1 1791772536 SOXBYVMWCWWKSC-UHFFFAOYSA-N 484.575 5.019 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)COC5)CCC3)cc2)c1 1792123975 WMBRRDJLNNCNCW-LJQANCHMSA-N 465.553 5.405 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)c4ccccn4)CCC3)cc2)c1 1792126186 BCKVFVPAINEVLQ-UXHICEINSA-N 452.558 5.260 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)cc3)CCC2)ccc1F 1792154897 ZJHIUCSENCTSAL-UHFFFAOYSA-N 493.542 5.078 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccccc34)CCC2)cc1 1792239576 QXRNPKAPJZDEFB-UHFFFAOYSA-N 492.579 5.185 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)c1 1794765993 UQLJKMIIUSUUKV-YLWQFCGDSA-N 470.548 5.013 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](F)c2cccc(F)c2)c1 1800278373 NGRKHSQIALLFEY-SFIUMABJSA-N 482.571 5.119 30 20 JKED Cc1ccc(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(CC#N)cc3)CCCCC2)cc1 1800545010 BDFMQRZOXKRUHH-LGKQTMLJSA-N 469.629 5.215 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cc4cccc(F)c4)cc2)C3)cc1 1800546527 SGWLBRVXHGWNFM-OUOZDZGXSA-N 481.571 5.048 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)C#N)C2)c1ccc(OCc2ccccc2)cc1 1802082723 SXHCKHRPZMEKQL-SPGPFUFCSA-N 487.644 5.193 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(OC)ccc3o2)[C@@H]1c1cccnc1 1802495883 GLLJQRHRDAKAOM-NBGIEHNGSA-N 475.589 5.148 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)[C@@H]1c1cccnc1 1802502667 LCQLXPOCDQAVRK-HYBUGGRVSA-N 497.039 5.005 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](CNC(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1 1802954975 UDQSWEQMBWDCOB-YWEHKCAJSA-N 498.627 5.105 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4c[nH]c5cccc(Cl)c45)CC3)C2)cc1 1804759092 RHVFJDCJGVWXJK-UHFFFAOYSA-N 489.019 5.171 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3ccc(C(C)=O)cc3)C2)CC1 1805670330 SRZWMOIEHBWDFY-AREMUKBSSA-N 480.649 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1809207671 ZLGKUODGBICCFC-YZUZCNPQSA-N 477.605 5.523 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1809788495 SVGLNJVWEMXMCQ-HYBUGGRVSA-N 465.663 5.334 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)cc12 1809809889 WOVOIURSFDUNPW-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1810169210 WHSWUGCWPSJVTR-AVPJRLCVSA-N 486.591 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@@H]1c1cccnc1 1810172078 NANBYAKPRKODHK-YMYRBNOESA-N 498.671 5.234 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810267889 QNWBFZQZPAZTTI-ILBGXUMGSA-N 467.730 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2ccc(OC)cc2)[C@@H]1c1cccnc1 1812421987 KBBICEQWTCCWGN-RJEBUIQKSA-N 475.633 5.192 30 20 JKED C[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1813232534 AMTFTPHEHJVAPK-KHGZIGHDSA-N 489.736 5.017 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2F)[C@@H]1c1cccnc1)c1ccccc1 1813569484 ABTWAQQIRLSRMZ-WWDWLDGVSA-N 497.614 5.057 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813955912 YOSBJROHKCXWSO-RPBOFIJWSA-N 475.539 5.280 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cncc2Cl)n[nH]1 1814365580 YSUOUQSYMNSLSS-KRWDZBQOSA-N 464.397 5.410 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc(F)c3)CC2)n[nH]1 1815614826 QTAKEQJPOHMFDC-QFIPXVFZSA-N 450.558 5.041 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)[nH]n1 1815651337 VEBZHCPNHFUPCW-KCWPFWIISA-N 492.645 5.036 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@]3(F)CCCCC3(F)F)n[nH]2)c1 1818891343 GTQXIYLQCXMGDP-SRDOKRBCSA-N 487.526 5.260 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)[nH]n1 1819311275 SSLIZZZAHGZKAT-UTKZUKDTSA-N 456.974 5.146 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)n[nH]1 1820212295 HDWLPUUVFVGROI-QKKBWIMNSA-N 498.052 5.114 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)n[nH]1 1821087760 IFLDFKPNUSYBCL-OAHLLOKOSA-N 474.405 5.085 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c1 1821301358 OHHWUGDYWYUOET-RUZDIDTESA-N 467.573 5.097 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)n[nH]1 1821358194 VDIOHKYKAJQTET-OAQYLSRUSA-N 493.608 5.093 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccncc34)n[nH]2)c1Cl 1821415119 IKPUQAIARYBEJP-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occc4c3O)n[nH]2)c1 1821503826 PWYDNDKATBSUOF-KSFYIVLOSA-N 483.528 5.108 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821566686 MWMDPPFFWDRVRV-JPYJTQIMSA-N 477.996 5.686 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCNC(=O)OC(C)(C)C)[nH]n1 1821929505 WDUNXLAOLVATPZ-FPOVZHCZSA-N 489.661 5.089 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n[nH]1 1823135921 TYFUIBWQODPSKL-OAQYLSRUSA-N 497.477 5.440 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)[nH]n2)c1 1823214393 DJXQYZYISAOMGC-FOIQADDNSA-N 472.574 5.199 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)[nH]n2)CCC1 1823379626 HYRGIBWWQHXHTQ-KRWDZBQOSA-N 479.890 5.082 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1823755252 QABKRWNAFKLQPV-QHCPKHFHSA-N 493.614 5.645 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1823812427 SEKDJGWFWKQRET-GDLZYMKVSA-N 492.623 5.096 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3C)CC2)C1 1827332302 MGENSUVITQNMDL-SANMLTNESA-N 457.618 5.257 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827684479 CTGQZNQULKTBSI-YNXQMJLESA-N 489.641 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827713472 IQTBATDVTYIGMM-JWQCQUIFSA-N 475.633 5.652 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccccn3c2C)CC1)c1ccccc1 1828076663 CIMIAHSYPRUXJI-RRPNLBNLSA-N 496.655 5.073 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1828502394 MSGJJZAGPYHJQT-HXOBKFHXSA-N 486.454 5.376 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 1828907618 DWMJPRVIHPYIMW-SANMLTNESA-N 494.752 5.296 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1)C(F)(F)F 1830534412 BXWYFSDWXZYPBJ-SFHVURJKSA-N 480.424 5.196 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830596832 MQYNQYFIVPHASN-VWLOTQADSA-N 470.654 5.080 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1830765743 XXPZPVKGARRBMT-YTHCHYJSSA-N 480.612 5.295 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1831446364 HSPSMOLNRRCGEW-IBGZPJMESA-N 458.471 5.150 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1831848803 LYVXQVJYWCGBMR-AREMUKBSSA-N 457.618 5.094 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1832028436 OFCITPIBAYOABO-HXUWFJFHSA-N 452.517 5.034 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)CC1 1832655924 ZABDABZLXNIHJA-QHCPKHFHSA-N 459.030 5.350 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703186 HLWGOTCMOMYUKH-FTJBHMTQSA-N 477.649 5.347 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1)c1ccccc1 1837685062 GRVTVAHKIMCYKC-RBISFHTESA-N 487.644 5.000 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)CCCCC)CC2)CC1)c1ccccc1 1838417600 GDGGSEDFSAPYKH-YWEHKCAJSA-N 480.693 5.399 30 20 JKED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)c1ccncc1-c1cccc(C)c1)C2)c1ccccc1 1844335497 MGXQQTICHXTXTB-SANMLTNESA-N 477.608 5.071 30 20 JKED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)cc1 1845278994 WJZIGNYDUADQEY-MUUNZHRXSA-N 499.561 5.206 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c1C 10168000 CMMZKEXJBJCBGS-UHFFFAOYSA-O 451.562 5.799 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731298 RUIICYHGVBERFN-UHFFFAOYSA-O 473.643 5.994 30 20 JKED CCCCCc1nnc(/N=C(\O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)s1 22975143 OGONRAPTDILVHU-UHFFFAOYSA-N 465.501 5.563 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nc2sc(C)c(C)c2c1=O 23559597 AQAWHKNJYHZWPO-UHFFFAOYSA-N 492.651 5.518 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23604962 PNMMIRGLXIUAGR-UHFFFAOYSA-O 493.027 6.353 30 20 JKED Cc1occc1-c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1-c1ccccc1 24014424 RJJROCNNQNTIDG-GOSISDBHSA-N 475.549 5.402 30 20 JKED C=CCn1c(SCC(=O)OCc2coc(-c3ccccc3)n2)nnc1-c1ccc(Cl)cc1 24301070 UONHBYGKPHQPLQ-UHFFFAOYSA-N 466.950 5.275 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 25558280 TYJDQDMFVZCDRF-MRXNPFEDSA-N 473.602 5.032 30 20 JKED N#Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 26131777 XMQWJKQCWJTNPL-LJQANCHMSA-N 457.477 5.526 30 20 JKED COc1cc(-c2nnc(S[C@H](C#N)Cc3ccc(C)cc3)n2C2CCCCC2)cc(OC)c1OC 26463308 AQSAWODYMJGKAH-QFIPXVFZSA-N 492.645 6.012 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nc2sc3c(c2c1=O)CCC3 31841981 SCHYOYDLQWWEDJ-UHFFFAOYSA-N 497.667 5.566 30 20 JKED Cc1occc1-c1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1Cc1ccccc1 104606988 LKGCIXBHUWRNOM-UHFFFAOYSA-N 481.581 5.738 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 105708411 UWAXEAMTAZYGSP-RTBURBONSA-N 497.068 5.279 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc3cnn(CC)c3c2)c1 195743326 UWVCPYXOSUNBHX-UHFFFAOYSA-N 495.004 5.343 30 20 JKED Cc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1Oc1cccnc1 303071344 XHCULXAFEUNJDG-UHFFFAOYSA-N 451.551 6.599 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCN(c4ccccc4C#N)CC3)c3cnn(C(C)C)c3n2)c(C)s1 303140603 QXQBEKBXGFLUPL-UHFFFAOYSA-N 484.629 5.192 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 303317640 SQKYMQOPTLVRFV-NSHDSACASA-N 485.944 5.527 30 20 JKED C=CCN(C(=O)CCc1ccc(OC)c(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 476798871 ZOVCRJGWTOWABW-UHFFFAOYSA-N 491.034 5.027 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccc(C(=O)OC)cc2)n1 496470069 OPMGSZDSFYCODD-UHFFFAOYSA-N 462.600 5.257 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2Br)o1 500306012 MNQLLGDONFMDJU-UHFFFAOYSA-N 466.379 5.593 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 503508082 DRZKHZFEBPKCDN-UHFFFAOYSA-N 453.571 5.579 30 20 JKED C=CCn1c(SCC(=O)c2ccc3c(c2)COC3)nc2sc(-c3ccccc3)cc2c1=O 506619577 WZQLRZKYLXXSBD-UHFFFAOYSA-N 460.580 5.316 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 508141097 FKUBPOWWOJCLTP-VXKWHMMOSA-N 457.599 5.799 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 509098016 OVGDHRMCQYNWJQ-MJGOQNOKSA-N 492.954 5.568 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 509957923 NXUDDQAUIMPFTC-INIZCTEOSA-N 458.543 6.194 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3cccc4ccccc34)s2)cc1 510606777 DBWRRROPPOZNDM-QFIPXVFZSA-N 471.611 6.224 30 20 JKED COc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Br 514026690 JYDPEFNCFSGBRZ-QGZVFWFLSA-N 496.380 5.941 30 20 JKED COc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)ccc1OCc1ccc(Br)cc1 515281946 BQXAJFRKEYFIJE-UHFFFAOYSA-N 465.347 5.181 30 20 JKED Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2)cc1 515826832 DWMAWVIQKBGBQR-UHFFFAOYSA-N 498.564 5.416 30 20 JKED C=CCN(C(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 516069833 LHLDENQFOJFWPB-AVCGJXAMSA-N 490.691 5.210 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CSCC(=O)Nc3cccc(Br)c3)cc2)c1 517512706 AFLBCQBAMJKWKU-UHFFFAOYSA-N 496.386 5.423 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 517851335 ZXSBSIGHAGZNTD-LJQANCHMSA-N 457.530 5.262 30 20 JKED CCCn1c(C)cc(-c2csc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)n2)c1C 518205630 TZDPUGGISVZLKW-UHFFFAOYSA-N 463.607 5.304 30 20 JKED C=CCn1c(Sc2nc(C(F)F)nc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 519491940 RZZASGCPKUWYOJ-KRWDZBQOSA-N 453.474 5.009 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1c(Cl)cccc1Cl 520848317 OXFDPLFOCCYGRJ-UHFFFAOYSA-N 476.307 5.273 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)C[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)CC2)c1 521516172 CVDYGOOMXWTBBU-AREMUKBSSA-N 487.987 5.143 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H](C)c1ccccc1Br 521739531 WLXAKKMKZZERJK-MRXNPFEDSA-N 474.424 5.393 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 523192501 WGRKUHWHFAWGIS-DEOSSOPVSA-N 476.621 5.383 30 20 JKED CCOCCOc1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 556476502 PORSSNWZCHAFPI-UHFFFAOYSA-N 486.977 5.007 30 20 JKED Cn1c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nc2scc(-c3ccccc3Cl)c2c1=O 589699735 JIOXPILCDNWJGK-IBGZPJMESA-N 493.013 5.085 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)c1 589802974 AIXJRQWLIBPXBI-OAQYLSRUSA-N 457.368 5.000 30 20 JKED COCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 591862270 MTZCLJOUCGJARI-INIZCTEOSA-N 486.475 5.016 30 20 JKED C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 596295963 WTTGKUFUAABFMN-GAJHUEQPSA-N 450.974 5.116 30 20 JKED COCCOc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C 603596741 RWHBXSBENWFLOZ-JOCHJYFZSA-N 470.978 5.130 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 603658192 RZCNIHFHIKYCJX-UHFFFAOYSA-N 474.555 5.705 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 603801416 XQYIKVLPAFYOAL-ISKFKSNPSA-N 477.948 5.430 30 20 JKED Cc1c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cccc1-c1nnc2n1CCCCC2 603962256 QHFGBPJUVXBNIM-UHFFFAOYSA-N 477.568 5.683 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 604090476 NGLXFJBPSYNMBV-UHFFFAOYSA-N 471.026 5.329 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(Cc3ccc(F)cc3)n2)cc1 608871292 VFQXOMYNJAACFP-UHFFFAOYSA-N 457.530 5.770 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609061726 WTZCEMFLLAFZLI-UHFFFAOYSA-N 461.474 5.014 30 20 JKED N#C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1ccc(OCc2ccccc2)cc1 609174006 DLRLLZXNHOFHLZ-QFIPXVFZSA-N 494.016 5.214 30 20 JKED COc1cccc(/C=C(\CC(=O)N(C)c2ccc(C#N)cc2F)c2nc3ccccc3s2)c1 609216704 UKKYKZUDGOLUOR-XDHOZWIPSA-N 457.530 5.909 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3(c4ccc(Br)cc4)CCOCC3)cc2)c1 609427448 VYVPNVIIGXLQLB-UHFFFAOYSA-N 477.358 5.800 30 20 JKED COc1cc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OC(F)F 613383820 VUOXGFDRGYKHRD-IUCAKERBSA-N 450.326 5.328 30 20 JKED C=CCN(CC=C)C(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)o1 642117498 MVAVCWWSUQADNA-UHFFFAOYSA-N 456.571 5.553 30 20 JKED O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1C(F)(F)F 642193687 ZCYJZBXQUMFJFF-MBTKJCJQSA-N 477.776 5.547 30 20 JKED C[C@@H](OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 725995078 AUSADVLBLRHFGO-LLVKDONJSA-N 491.516 5.435 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CC[C@@H](C)OC)C2=O)c1 726393184 MZGVMAHXUVVFIH-HOYKHHGWSA-N 491.613 5.234 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3ccco3)C2=O)cc1 726407260 QHHCSLOKPQLWIE-NRFANRHFSA-N 478.961 5.274 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)cc1F 726410058 FMJSZXOUPYWSEM-FQEVSTJZSA-N 469.563 5.056 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 726421418 QJGOJBHKRNIQFB-URSBWBDFSA-N 482.606 5.433 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 726688641 AXOYRAUTRQAUKD-SANMLTNESA-N 498.560 5.123 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2sc(N3CCCC3)nc2Cl)cc1 728164744 JQLUUVQJOJSZIH-UHFFFAOYSA-N 454.958 5.250 30 20 JKED CC(=O)N(c1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1)c1ccc(C)cc1C 728668972 FDNSJVBWAXGHDO-UHFFFAOYSA-N 497.576 6.466 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCCCC#N)cc1Cl 728777967 NIOBHESTLOBTTC-OAQYLSRUSA-N 485.009 5.311 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(Cc2scnc2C)C1=O 729143420 RAFZRNIQKCSWKC-NRFANRHFSA-N 494.642 5.237 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2scnc2C)cc1 729144546 DFKDEMKQFBRCJB-OAQYLSRUSA-N 494.642 5.183 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)N[C@@H](C)c2ccc(Cl)cc2Cl)[n+]2cccc(C)c2)c1 729669132 CXLZXNWVZWOVSU-AWEZNQCLSA-O 492.404 5.259 30 20 JKED C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 730605566 GBEBBDQQVFPWSE-GOSISDBHSA-N 473.504 5.274 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730645226 YXDLZNNGAAGFCH-HSZRJFAPSA-N 484.936 5.397 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)O[C@H](C)C2 730695755 XKIUJOMAYBRKDX-KCMWZYNZSA-N 480.536 5.790 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1Cc1cocn1 730708666 GZBNHZKHNUPZBV-IBGZPJMESA-N 489.384 5.450 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 730953611 MBIWRIQIGQVYJK-TZIWHRDSSA-N 492.670 5.854 30 20 JKED N#CCCSc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 730981766 ATXPPJCNWXMUIP-NBVRZTHBSA-N 473.670 5.374 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730994308 JLLALQPCCGUXFP-GFCCVEGCSA-N 482.343 5.713 30 20 JKED N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 731136230 OTIWMIKEHAWCLV-OAHLLOKOSA-N 464.335 5.943 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)c(Cl)c2)n1 731306871 DRSYMIJRZQZQAI-NRFANRHFSA-N 498.967 5.049 30 20 JKED CCOc1c(Cl)cc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc1OC 744765541 FAPARMAXIVWLHQ-UHFFFAOYSA-N 475.014 5.521 30 20 JKED COc1ccc(-c2nn(CN(Cc3ccc(C#N)cc3)C(C)C)c(=S)n2C[C@@H]2CCCO2)cc1 746032795 KGVURGOAFJCLFY-DEOSSOPVSA-N 477.634 5.008 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 746664310 MMIWKLINPGFJTI-ZSJNXGHDSA-N 496.658 5.356 30 20 JKED C=CCN(C(=O)COC(=O)CCc1c(C)noc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 748576898 DHGSKIPVLUBIGE-UHFFFAOYSA-N 494.400 5.417 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1 750394375 GGZYLWNVMQJNGJ-WIYYLYMNSA-N 487.654 6.317 30 20 JKED O=C(Nc1cccc(C=NNc2nc(-c3ccncc3)no2)c1)c1ccc(Cl)cc1Cl 750948745 PNRNNNRWFGEQPK-UHFFFAOYSA-N 453.289 5.137 30 20 JKED CCOc1cc(C#N)ccc1OC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 818032924 AJHIKCDRVNTNAJ-OAHLLOKOSA-N 491.594 5.562 30 20 JKED COc1ccc(-c2nc(S[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)nc(O)c2C#N)cc1 824935516 IFBVECPPQKIMIY-RUZDIDTESA-N 496.592 5.818 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3COc3ccc(F)cc3)s2)cc1 839415127 ATGREJYRJUPMBT-UHFFFAOYSA-N 474.974 5.329 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 873697136 WOUBJMZRCUWRLQ-UHFFFAOYSA-N 491.956 5.026 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 912536842 UGBMOHYZWGXSBA-LJQANCHMSA-N 461.587 5.156 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915085400 LKMSAQXSUNANBH-ZEQRLZLVSA-N 473.960 5.247 30 20 JKED C[C@H]1Oc2ccccc2N(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O 915103163 QAJGQIJAJCQARK-IUODEOHRSA-N 472.353 5.107 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc([C@H](C#N)c5ccccc5)cc4)cc3)o2)cc1 915200283 XHJGQYLLOWRZHU-HHHXNRCGSA-N 470.532 6.620 30 20 JKED CC1(C)C[C@@H](NC(=S)Nc2ccccc2C#N)C[C@@](C)(CNC(=S)Nc2ccccc2C#N)C1 915995799 YNJQTPACZBEHAS-FQRUVTKNSA-N 490.702 5.288 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(F)c(Cl)c1 916204332 CKKJCMHNQVDLQG-FQEVSTJZSA-N 493.988 5.257 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O 916210465 FTZVGIJGGOEXAU-OAQYLSRUSA-N 483.977 5.411 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)c(OC)c1 916214335 MIMBDCOPWDQDLG-NRFANRHFSA-N 499.976 5.111 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2Cl)[C@@H](c2cccc(C#N)c2)NC(=O)N1CCCCCC(=O)O 916724089 OHTDCPKLWFUVGG-XMMPIXPASA-N 494.979 5.144 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)c1 916896283 DROPXYZDKKEYLG-QFIPXVFZSA-N 451.530 5.257 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 916901030 WSIZXQJMNZZMRG-QFIPXVFZSA-N 488.588 5.680 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCc1ccccc1 916904369 BLDUASRPHIZFDO-DEOSSOPVSA-N 492.531 6.028 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 916955342 PLHOCUGPGMSYJN-OSPHWJPCSA-N 459.546 5.274 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997862 ZBMSKKLWNHGGPS-QGZVFWFLSA-N 490.437 5.974 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Cl)cc1 916997882 ZQGXJLYYHHQIBW-IEBWSBKVSA-N 492.815 6.214 30 20 JKED CCCCc1oc2ccccc2c1/C=C/C(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 917505460 YTMSTQVRCIFPBZ-ZXYASIKESA-N 495.583 5.082 30 20 JKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(C)cc4)n3)c12 917560042 QHNWUNGDCBKMRO-NTCAYCPXSA-N 495.608 6.129 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2F)n1 917664173 KCLJIKLNJDRUBZ-OAQYLSRUSA-N 497.983 5.046 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c1 917670923 DOYPCOMETGPLJZ-WMTXJRDZSA-N 494.636 5.030 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C(C)C)c1 917714428 VYSOIUGFNSSWGQ-JOCHJYFZSA-N 453.608 5.034 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(COc4ccc(Cl)cc4)n3)n2)cc1 920142013 JPJCHELPNLEHFV-FQEVSTJZSA-N 496.013 5.927 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC2)C1=O 920168348 LIJZBLAUFOCZDE-SFHVURJKSA-N 492.384 5.123 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1 920369853 PMTGDTKIOGVQAN-UHFFFAOYSA-N 474.464 5.315 30 20 JKED Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2cccc(OCc3ccccc3C#N)c2)o1 920417149 YKYVRJGFLIPVRK-UHFFFAOYSA-N 492.491 5.508 30 20 JKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 920807026 WCCROWLTZFCIGM-MRXNPFEDSA-N 467.522 5.853 30 20 JKED C[C@@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F 920839527 QOKSQPAJBMBNHT-CQSZACIVSA-N 480.431 5.035 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5cc(Cl)ccc45)CCC3)cc2)cc1 1785881710 GRPCEEHSMWJEDX-UHFFFAOYSA-N 483.959 5.078 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCc5ccccc5[C@H]4O)cc3)CCC2)c1 1786176108 XIXHLJQWSHWQPV-JTOILGAVSA-N 493.607 5.357 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4nc(-c5cccc(Cl)c5)no4)cc3)CCC2)C1 1786888377 BFQMYDFLOVYDKH-UHFFFAOYSA-N 490.991 5.423 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)cc1 1788721396 HRKFICNRNUNMIG-UHFFFAOYSA-N 467.447 5.160 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(Cl)sc3Cl)CCC2)cc1 1789576238 PKWGEAQGIALSRK-BRJLIKDPSA-N 476.385 5.515 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CSc4ccccc4)CCC3)cc2)c(C#N)c1 1790472574 OQIAMKQLYTYQRL-UHFFFAOYSA-N 485.609 5.036 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCSC4)CCC3)cc2)c(Cl)c1 1790767860 SFSYFGPIWIVJHB-QGZVFWFLSA-N 453.995 5.103 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CCC2)cc1 1791244370 PGBNDHWOQSGDHB-GOSISDBHSA-N 457.615 5.026 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCCNC(=O)OC(C)(C)C)CCC2)cc1 1791244429 RSTVRYVEVQDJMV-IBGZPJMESA-N 457.615 5.028 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)CCC1 1792173682 AOUSVLPSXMNQCE-OAHLLOKOSA-N 464.459 5.183 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C\c1c[nH]c3ccccc13)C2)c1ccccc1 1798553607 NWSFLJQKECSFCZ-GRBBKKCYSA-N 465.597 5.017 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccccc2c1Br 1801096820 JUKIFNFZASIZLW-WOZUAGRISA-N 481.434 5.623 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)[C@H]1c1cccnc1 1802499836 JSSMTSXRIVQTBN-HUBMOFRJSA-N 475.633 5.192 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1803079300 KMSRHFAVZGXHTK-RGDLAARNSA-N 477.571 5.225 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1C(F)(F)F)c1ccccc1C(F)(F)F 1803871033 MZLNMCFCYGEJOA-QDMKHBRRSA-N 488.403 5.429 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803986163 PPDKUWPENMPKCN-PLAFWNHUSA-N 479.587 5.449 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3cnccc3C(F)(F)F)C2)CC1 1806888850 JNXYPWBOLPGHNG-UHFFFAOYSA-N 479.587 5.257 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1807478184 VZHQHKXQQHNXKL-BHBYDHKZSA-N 473.661 5.256 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809439821 DYUOVRJKQMYITG-CPJSRVTESA-N 494.060 6.038 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@@H]1c1cccnc1 1810492144 JMGYMCLEQZMGAX-VRIJDZSUSA-N 481.587 5.162 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(F)F)cc2F)[C@@H]1c1cccnc1 1810504827 HUBNKSQYCISFJC-PGRDOPGGSA-N 489.538 5.134 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1811103645 CXDKNTHQHJNPLE-VQIMIIECSA-N 480.461 5.762 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)n3ccccc23)[C@@H]1c1cccnc1 1811263999 JHUXEQSJWFCQNZ-QCDSWUKFSA-N 490.607 5.124 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(F)F)cc2F)[C@@H]1c1cccnc1 1811385820 YMOFDXBTDSWEJZ-AVRDEDQJSA-N 489.538 5.134 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c1Cl 1811417983 MYSAFCAAIXWMIC-UZUQRXQVSA-N 497.357 5.033 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1Cl 1811419070 DYOZTWSGUKIPEL-CUNXSJBXSA-N 494.982 5.393 30 20 JKED Cc1cc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)ccc2[nH]1 1812279145 QEPNOTPSDNKASE-ATVOGRQSSA-N 491.595 5.132 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1812438600 MVHJXOKUTSWBAZ-UMFSSWHCSA-N 478.036 5.239 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[C@H]1c1cccnc1 1813229485 QMBXUEGZGJWRJK-MHLNXUHPSA-N 499.577 5.190 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)nc3)[C@H]2c2cccnc2)c1 1813862908 AVDCRUJUQNONRW-SGGJORCASA-N 495.627 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1813960147 CUUFRYLEFCQZLX-BVAGGSTKSA-N 488.632 5.052 30 20 JKED N#CCCC(=O)N1CC[C@H](CNC(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814161941 NMURYWHDCUOQBT-POURPWNDSA-N 488.676 5.755 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)cc2C(F)(F)F)n[nH]1 1815547557 ZLDODXPYBVBZIJ-NQIIRXRSSA-N 492.517 5.571 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1)c1ccco1 1816339729 XUBAWFHACSVYKX-DEOSSOPVSA-N 464.525 5.022 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)[C@@H](C)CC)n[nH]1)C(F)(F)F 1816849120 LVRTWZMMVJDFLK-NYSBEXSLSA-N 462.516 5.350 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)oc2ccccc12 1818570004 SSSVOLBVUQSQMH-OAQYLSRUSA-N 487.947 5.609 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cc[nH]c34)n[nH]2)c1 1818773324 MSRKQGVJBVAGPE-UZUQRXQVSA-N 466.545 5.138 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(F)CCCCC2(F)F)n[nH]1 1818889477 LVIDPXDDUJMTRN-XXBNENTESA-N 496.650 5.371 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1819307050 NGCLVZWNXNHXKO-JTSKRJEESA-N 465.985 5.619 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[nH]n1 1819553019 NUVCYFVXBSXXAE-XMMPIXPASA-N 489.620 5.712 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)n[nH]2)cc1 1821084254 ZWAGRNQZPZFYKY-NRFANRHFSA-N 499.468 5.253 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)[nH]n2)cc1 1821181582 MWRYUQLRLZRIOC-REWPJTCUSA-N 487.991 5.165 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)cc12 1821182092 HXBWLXNXIHVBKX-LJQANCHMSA-N 490.614 5.075 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c(Cl)c1 1821279479 COFCXNRIBCIRQI-OQYZPLRDSA-N 465.985 5.067 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310444 WTVLQKLIEKUBQB-PZJWPPBQSA-N 485.510 5.374 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n[nH]1 1821786274 HNRIEQABTGPWQW-YOMUGFJLSA-N 496.599 5.265 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)[nH]n1 1822584625 YFCUQQPFFGWRCO-FQEVSTJZSA-N 496.409 5.153 30 20 JKED C[C@H](Sc1ccccn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1822729430 HDWAPWYMXJBIBQ-FPOVZHCZSA-N 497.741 5.029 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c1 1823135900 RYSDTKJHYNAGDM-AVRWGWEMSA-N 467.573 5.534 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc3ncccc23)CC1 1824474543 VSHNBKHJOXGVGO-RPLLCQBOSA-N 459.634 5.165 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1824511013 YNCLEOCQMYCGOO-DCFHFQCYSA-N 496.598 5.456 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC(F)(F)F)CC2)c(Cl)c1 1824873513 ATNKGSAGZBWMJV-FQEVSTJZSA-N 469.935 5.178 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccccc2C#N)CC1 1825952069 FJRHRHKLUXKSKX-DEOSSOPVSA-N 491.632 5.070 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)CC1 1826681273 VWHAQQXRGNBQLI-MUUNZHRXSA-N 492.623 5.439 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1827331813 HGNWAWPDVOTHQQ-MUUNZHRXSA-N 492.623 5.476 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)CC1 1827342672 RABUCPUHIMNDOU-LADGPHEKSA-N 462.638 5.058 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1827507115 FNVVGUNYWDENIO-XMMPIXPASA-N 483.056 5.509 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1)c1cccs1 1827682765 KXJCEIJBPBWTEC-LCCNJJIFSA-N 493.654 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn3cc(Cl)ccc3n2)CC1 1828079936 FFRPSTLVYCGTQP-QFIPXVFZSA-N 471.045 5.213 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1828351897 IAJBPJSPRAHTSR-RPBOFIJWSA-N 456.747 5.404 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1Cl 1829689486 GUCGPQVRNMIRDG-VWLOTQADSA-N 489.019 5.169 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829958275 DVBKTHHUIRWULT-LJAQVGFWSA-N 494.639 5.513 30 20 JKED COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)ccc1C 1830067401 HIYIDQMQZIBDSU-RUZDIDTESA-N 482.741 5.288 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830359116 NOHWPOMQDGQLBS-DQJRMYJUSA-N 479.621 5.025 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1)C(F)(F)F 1831456316 YFFOMEWCAHOVQM-GOSISDBHSA-N 480.424 5.196 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832585601 UDYHVQOIXMQBBI-LVXARBLLSA-N 473.617 5.178 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)Nc3ccccc3)CC2)c1 1832631255 BKLFAAUHEGVDSV-VHFRWLAGSA-N 472.633 5.048 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634580 XAKAPPLEVIKNIX-QFQXNSOFSA-N 489.664 5.201 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cccc1C(F)(F)F 1832704978 UIAFBPRKSNOZME-DEOSSOPVSA-N 483.534 5.433 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCCC2)CC1)NC(=O)OC(C)(C)C 1832754900 KHAGOMJWRLSEDA-RPWUZVMVSA-N 489.701 5.046 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cl)c3Br)CC2)CCC1 1832786601 JZTMQGXEPYXUOW-IBGZPJMESA-N 492.845 5.030 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CC1 1835683020 HBEDCQSGISWNRN-FQEVSTJZSA-N 496.454 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)CC1 1835816931 JLDWSQKMWDXRNG-UHFFFAOYSA-N 497.083 5.066 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1)c1ccccc1 1838417408 BJQPNCWHOLAABE-KGSXXDOSSA-N 490.688 5.009 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1C#N 1847628447 WFXSWZUFDUORIA-GNKBHMEESA-N 494.035 5.254 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(CC)CC)cc2)cc1 10173487 XSBDQCIRWXHGQO-UHFFFAOYSA-O 467.605 6.769 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(Cl)cc2)cc1 10832375 GBRBGNYHCWVPJL-UHFFFAOYSA-O 469.074 6.537 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(\S)Nc2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11166972 SEFSJSSFKJLNAM-UHFFFAOYSA-O 479.669 6.849 30 20 JKED N#Cc1ccc(F)c(CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)c1 12344166 CRTNHLCVFKYZBO-UHFFFAOYSA-N 473.524 5.158 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1cccs1 14062630 LOPZOAKIMNZJQX-UHFFFAOYSA-N 453.618 5.355 30 20 JKED CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1cccnc1 15183982 LQVFKPCWSUKYJD-LJQANCHMSA-N 474.634 5.276 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)ccc2F)nnc1-c1ccc(Cl)cc1Cl 15581731 ANWNJRXTVGTQFP-UHFFFAOYSA-N 451.354 5.616 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)o1 16684019 BXHPEYPDFHVWRN-UHFFFAOYSA-N 465.579 5.271 30 20 JKED C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16788293 IMDWKLJUXXQNMQ-CQSZACIVSA-N 467.620 5.118 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nc2sc3c(c2c1=O)CCCC3 23589438 VAQGJYCHPRWIRE-KRWDZBQOSA-N 480.659 5.093 30 20 JKED C[C@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccc(Cl)cc1Cl 24344984 LUGUNLAVCXALKG-LBPRGKRZSA-N 486.384 5.214 30 20 JKED CN(Cc1cccc(C#N)c1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 26323899 WZFWSXOJJXAWIP-JOCHJYFZSA-N 479.334 5.041 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(-c3cccc(F)c3)n2)n(C2CCCCC2)c1C 27425592 QYFIIEBVWBFEOT-UHFFFAOYSA-N 494.592 5.469 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccc3c(c2)CCCC3)cc1F 28811072 BCPQVSQMVUMJFB-UHFFFAOYSA-O 498.441 6.114 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1 32148438 UBLQAGIXYHEGKA-UHFFFAOYSA-N 481.531 5.514 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 32484069 RUEIVAKFIIIFRK-OAQYLSRUSA-N 453.567 5.767 30 20 JKED Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 105945885 GJTMJPLAQYHIRH-UHFFFAOYSA-N 495.539 5.222 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1ccccc1F 195568907 YMBHLWGWPBHWDX-XMMPIXPASA-N 488.588 6.059 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)nnc1-c1cccnc1 302926477 ASTVTBATMOZJHV-HSZRJFAPSA-N 476.005 5.177 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(-c4nnc5n4CCCCC5)ccc3Cl)c2)cc1 482050374 CFUDKROUDDHMIT-UHFFFAOYSA-N 483.959 6.241 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc1 484895970 VHIMGFHSBXTWIE-UHFFFAOYSA-N 492.409 5.397 30 20 JKED C=CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491083001 GKSUIQJSGIMIAD-UHFFFAOYSA-N 499.614 5.252 30 20 JKED COc1ccc(C#N)cc1NC(=O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1cc(C#N)ccc1OC)(C3)C2 493012485 YXHAVUSDOHZNTE-QURFURGYSA-N 498.583 5.001 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 493966030 ZOZHZKRAXZSQMK-XZOQPEGZSA-N 461.359 5.836 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N(C)C)c2)nc2sc(-c3ccccc3)cc2c1=O 497666991 BXXFTDIHWNFHDO-UHFFFAOYSA-N 461.612 5.305 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 500011453 BIZDIVBYLHKXFF-UHFFFAOYSA-N 494.407 5.499 30 20 JKED C=CCn1c(S[C@H](C)c2ccccc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 501425885 QFSSSENTLDQXIX-GOSISDBHSA-N 456.637 5.015 30 20 JKED Cc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1NC(=O)c1ccco1 501451190 NVYLZFIIOWVDME-UHFFFAOYSA-N 465.509 5.738 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)c2C(F)(F)F)c1 501483092 WGTTYPJJJMTEQB-UHFFFAOYSA-N 490.485 6.097 30 20 JKED CCC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 506332168 MEYYMTVIHMDZHU-IFMALSPDSA-N 458.953 5.701 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1Cl 509592600 OZDYZJAMHJSHCN-GGAORHGYSA-N 458.974 6.363 30 20 JKED CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 510272843 SHPPQWXJXJXHCK-UHFFFAOYSA-N 469.585 5.345 30 20 JKED N#C[C@H](C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 510866905 NHNIRTMHCGVPOF-OAHLLOKOSA-N 459.358 5.171 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 512237879 XHWRILCTOGGNCB-UHFFFAOYSA-N 481.939 6.295 30 20 JKED C=CCn1c(S[C@@H](C)c2ccccc2Br)nnc1[C@H]1COc2ccccc2O1 513241873 MBNVYVBYDIBIQO-IFXJQAMLSA-N 458.381 5.592 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc12 513655220 OZSQFFIBVHYSHG-QGZVFWFLSA-N 459.962 5.485 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1Cl 514575675 IENJPCCGULFDTM-QFIPXVFZSA-N 459.958 6.283 30 20 JKED C=CCN(C(=O)c1cc(Cl)c(OCCC)c(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514616851 SUGNEIXWEAZXAA-UHFFFAOYSA-N 487.965 6.002 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)O[C@H](C)C2 517417125 BWYIFSMPVPXXHR-UPKQVVFYSA-N 474.586 5.005 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 518256445 WIYXRSKVTXTMQB-WWMYMODYSA-N 491.032 5.457 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)o1 518668915 TVQQUJJSSZPSEL-UHFFFAOYSA-N 476.476 6.144 30 20 JKED CCOC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(OC)c1 519052288 OXVIGNALBJSVFD-DEOSSOPVSA-N 459.502 5.175 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nnn1-c1ccc(OC(F)F)cc1 519473449 MEODJFPTZFCABA-UHFFFAOYSA-N 489.482 5.075 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc5ccccc5c4)o3)cc2)cc1 519979028 GEHSUYOUVQHYQT-UHFFFAOYSA-N 478.533 6.285 30 20 JKED CCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 520845551 MLURTRBBFJKJQY-UHFFFAOYSA-N 469.916 5.352 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 521327220 XFQIVAARZHOJRM-QGZVFWFLSA-N 497.667 5.142 30 20 JKED N#CCSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(Br)cc1 521329524 MSVXCXCIANPQQH-QHCPKHFHSA-N 466.404 5.382 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 521726001 KGOZCWSCSBRFEQ-LJQANCHMSA-N 479.627 5.406 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1nc(CN2CCCCC2)cs1 522872515 HFUHUVOKPHXQJA-UHFFFAOYSA-N 467.408 5.251 30 20 JKED CCCC(=O)Nc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 523532708 AIFCCXMQOJYTPZ-UHFFFAOYSA-N 458.537 5.348 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(F)cc2Cl)cc1 524675590 LACTWGUSHROSIE-NRFANRHFSA-N 456.304 5.157 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nc(-c2cccnc2)no1 552282611 YAPXOJFUKGEFEM-GGAORHGYSA-N 486.963 5.959 30 20 JKED Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc(C)c1OCc1cccnc1 603740138 OUAKBFOYKAYFSB-UHFFFAOYSA-N 450.498 5.589 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 603755533 YRIHFZOBJAHECL-UHFFFAOYSA-N 450.336 5.559 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)n1 603995560 IANNFLIDXTWAEE-UHFFFAOYSA-N 469.526 5.047 30 20 JKED COc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 603997708 HACVEBJVBNAWMP-UHFFFAOYSA-N 483.952 5.484 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccccc1SCC#N 604010175 PKJMMTJZECGRSE-CALCHBBNSA-N 471.026 5.409 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)c2)c1 604041784 XTPVNGNTJYVEML-UHFFFAOYSA-N 488.491 5.008 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-n4cccn4)cc3C(F)(F)F)o2)cc1 609057012 LHPARAKBHHSBIW-UHFFFAOYSA-N 452.392 5.187 30 20 JKED CCOC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc([N+](=O)[O-])c1 609378485 OMCVDQXGEZFUFT-UHFFFAOYSA-N 467.425 5.048 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 609387011 FQUIQRWIMPOZMW-GFCCVEGCSA-N 463.441 5.842 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 609427582 MEDNDBQIFMXKCZ-OALUTQOASA-N 471.648 5.205 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1S(C)(=O)=O 613344579 JRNJKGUWQGFGQQ-OAHLLOKOSA-N 465.383 5.319 30 20 JKED O=C(Nc1cccc(CNC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1)c1ccc(F)cc1 618506480 VHYNJPZDIMMLTN-IYBDPMFKSA-N 491.407 5.350 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 726396455 FBUKHKUNKLMVDV-LIRRHRJNSA-N 497.514 5.230 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(C2CCCC2)C1=O 726420001 GYTWMJFPSJFKOH-PRLFLVJASA-N 457.621 5.089 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCCC1)c1cccs1 726420838 JNBLAZMOLJWMAU-POOWZPKTSA-N 495.592 6.099 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(C3CCCC3)C2=O)cc1OC 726421387 MTWBMCQSUMLXFQ-QQDOTYKZSA-N 487.647 5.098 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2(c3ccccc3)CC2)c1 726516481 KCQIJNRHNLPCKT-UHFFFAOYSA-N 466.990 5.140 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1Br 728062183 IZQIHWOFWVCOHG-INIZCTEOSA-N 450.336 5.339 30 20 JKED N#Cc1c(NC(=O)COC(=O)C[C@H](c2ccccc2)C(F)(F)F)sc2c1CCCCC2 728655410 VDPGOPIKBJSBHT-QGZVFWFLSA-N 450.482 5.107 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1Cl 728737329 LNKGGFYWUFAUOK-SIKLNZKXSA-N 473.882 5.869 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc3ccccc23)N(CCCCC#N)C1=O 728776206 MTWKPKUKCLFQOF-DEOSSOPVSA-N 486.597 5.503 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCCCC#N)C2=O)cc1Cl 728776759 FFCCIAGLSPUIDU-NRFANRHFSA-N 485.009 5.311 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c1 729634818 UNZYKKISSOKGEU-QFIPXVFZSA-N 480.540 5.137 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)c1 729634947 XRZXBZKTZPUUKD-HSZRJFAPSA-N 458.587 5.167 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1sc2cc(C)ccc2c1Cl 729728641 OZOXWNKRFZXAIM-OAHLLOKOSA-N 456.951 5.364 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c1 730444302 LRRXHTXKWKRGFD-QHCPKHFHSA-N 494.592 5.196 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(C(=O)O)s2)c1 730590394 RPDPCXVUYDUAAR-NTMALXAHSA-N 460.511 5.212 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1)c1nc2ccccc2o1 730690264 QYBTVPLJGFWGKJ-ZHRRBRCNSA-N 465.278 5.726 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 730945130 NNXNEBZZJHIQJY-YCRPNKLZSA-N 466.513 5.081 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 731066342 AKZYUMVGSNTXED-SFHVURJKSA-N 488.569 5.378 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCCC1 731075518 DJCZBKOBNZIEPH-SFHVURJKSA-N 454.567 5.461 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(Cl)cc2)cc1 731306265 UPMDAWYHUZXFGP-QFIPXVFZSA-N 495.988 5.215 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@@H](C)c2cccs2)s1 731311351 BSMRDZLIDUGYAQ-FNTFEVIYSA-N 499.683 5.975 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)cc1C 746697034 ZGFSXIADEKYBFV-QFIPXVFZSA-N 489.588 5.359 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)c1 747599964 LZMMAMYWRREPNI-FQEVSTJZSA-N 486.569 5.199 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cscn2)c(Cl)c1 747602158 JJYMSHMBYLXKNE-IBGZPJMESA-N 485.034 5.574 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 750394923 JHMAUHCWXZRAQM-MRXNPFEDSA-N 457.914 5.353 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1 751085555 XFIFAOHQPMVZNW-DEOSSOPVSA-N 475.386 5.791 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)n(Cc2ccc(F)cc2)c1C 758469630 BEBGNXUYWKWBEX-UHFFFAOYSA-N 495.561 5.413 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC(F)(F)F 799211772 PFHOAVUEVSGHHT-HXUWFJFHSA-N 471.504 5.671 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccccn1 838192116 LROYYGKKBIWTOW-SBUREZEXSA-N 476.577 5.505 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1F 838570109 ATYGMLLKBASGAW-QGZVFWFLSA-N 469.435 5.130 30 20 JKED COc1cc(C#N)ccc1OC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 858408260 QQIQAAKEXMNVNI-UHFFFAOYSA-N 476.945 5.166 30 20 JKED CC(C)n1ncc2c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc(-c3ccccc3)nc21 877875231 LJQBQCIFFJZHJG-IBGZPJMESA-N 499.546 5.310 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccccc2OC)cc1 912773721 QRVLNTORRIVYPZ-UHFFFAOYSA-O 490.649 5.665 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(F)c2)c1 914772519 BLPHGWFIFQEZFF-QFIPXVFZSA-N 481.524 5.134 30 20 JKED COc1ccc(-n2c(-c3ccccc3OC)nn(CN(C)Cc3ccc(C#N)cc3)c2=S)cc1 914783168 JJPINLRABDJFBE-UHFFFAOYSA-N 471.586 5.049 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@H]1c1ccc(OC)cc1 915085935 QPJICQSLVGEGBK-TWLDFKIOSA-N 495.623 6.069 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 915087190 QICYZXQUDQUMIN-MHZLTWQESA-N 470.532 5.353 30 20 JKED C=CCOc1ccccc1CN(C(=O)CCc1nc(-c2ccccn2)no1)c1ccc(C)c(C)c1 915139064 IAGPIJWQXPYBBC-UHFFFAOYSA-N 468.557 5.479 30 20 JKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)c1sc3ccccc3c1Cl)CCCC2 915368545 KYZWVDQFGQVNFD-OAHLLOKOSA-N 498.004 5.081 30 20 JKED N#CCOc1cccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)c1 915711171 YFIYLRSBQZUUJV-JOCHJYFZSA-N 466.994 5.225 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(Br)cc2Br)c([N+](=O)[O-])cc1OC 916140131 BVLMOBZDNWYFBG-UTCJRWHESA-N 471.101 5.033 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccn2)c1 916205351 GLRMKJLFJGPNLN-RUZDIDTESA-N 480.593 5.704 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=Nn1c(S)nnc1-c1ccccc1F 916319592 BDJORXFCZLEKJQ-UHFFFAOYSA-N 461.353 5.115 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccc(OC(F)F)cc3)o2)c(Cl)c1 916331761 UXKSMYDJBNYNLN-UHFFFAOYSA-N 491.863 5.539 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-n3ccnc3)c2)c1 916419002 QJPYGDKMUQVKLP-UHFFFAOYSA-N 492.988 5.159 30 20 JKED COc1ccccc1Nc1nc(Cl)c(C=NN2C(=O)c3cccc4cccc(c34)C2=O)s1 916544906 XINKPLYCHDAHLM-UHFFFAOYSA-N 462.918 5.332 30 20 JKED COC(=O)c1ccc(COc2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)cc2)cc1 916546050 CNNOWAJTCLOURM-UHFFFAOYSA-N 492.988 5.472 30 20 JKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1ccc(SC(F)F)cc1 916886301 FMUSTTZGTMTJPU-GOSISDBHSA-N 473.526 5.237 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccccc1Oc1ccccc1 916907412 YNXKSAQIYBXUND-HXUWFJFHSA-N 486.915 5.462 30 20 JKED COc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3-c3ccccc3F)s2)cc1 917028147 MKGIDGQUVNICNQ-UHFFFAOYSA-N 460.947 5.117 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2cc(Cl)ccc2s1 917045889 CAWRFWMQTDUULW-DOTOQJQBSA-N 478.788 5.738 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)n1 917076581 QQSDKDPQVAWFGS-JTQLQIEISA-N 486.475 5.226 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(CC(=O)N3CCCC3)CC2)c1=S 917460803 PDSMWKKFRMDJEC-UHFFFAOYSA-N 481.710 5.247 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@H](C)c3cccnc3)C2=O)cc1 917704125 FYKGMZYWLZSCRC-KOSHJBKYSA-N 499.596 5.073 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1csc(COc2ccc(Cl)cc2)n1 918710851 HHOGRJYNDAPHLL-UHFFFAOYSA-N 486.022 5.334 30 20 JKED COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 918804504 YJRJRUDNTHWIFQ-IBGZPJMESA-N 474.582 5.236 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1nc2cc(C(F)(F)F)ccc2s1 920113283 UFTGDYMINMMRNU-LSDHHAIUSA-N 463.868 5.198 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2Cl)no1 920355432 MPUYLUOFUXBKGC-IBGZPJMESA-N 490.919 5.075 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)cs2)cc1 920369222 VEPPERZXNJACCO-UHFFFAOYSA-N 476.414 5.767 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 920775553 VSRCTOIXCHWODR-UHFFFAOYSA-N 499.596 5.075 30 20 JKED COc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)ccc1OCc1ccc(Br)cc1 920832791 ZQPPUTRSCJMYLM-YRNVUSSQSA-N 455.352 5.283 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 920868578 KWMINDIBQMZUBA-IFXJQAMLSA-N 494.444 5.545 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc3c(Cl)cccc3s2)n(Cc2ccco2)c1C 921307418 IRRITBGBEHJCJJ-UHFFFAOYSA-N 467.934 5.282 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1778141325 LEGSLYCQKLGINR-UFHPHHKVSA-N 499.051 5.720 30 20 JKED CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1)N(CC)CC 1786450089 HNDGWXHVFAUVNO-NLFFAJNJSA-N 460.622 5.182 30 20 JKED Cc1ccc(OCC(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cc1 1787796981 WBUIGBIRCDTJTC-BUHFOSPRSA-N 474.582 5.009 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CCc3ccc(OC)cc3F)cc2)CCC1)C(F)(F)F 1789189831 UMHVCFPBHKBQBL-UHFFFAOYSA-N 464.459 5.020 30 20 JKED CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)CCCCC1 1789219954 DPCZXZOQWCUFDX-UHFFFAOYSA-N 494.636 5.042 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)c(C)n1 1789968137 OUFBPRTXXFGKMD-UHFFFAOYSA-N 482.584 5.419 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3O)cc2)CCC1)c1ccccc1 1790117898 RMRHILRZWIDWJL-XMMPIXPASA-N 467.569 5.041 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3nccc(Cl)c3OC)cc2)CCC1 1790140662 JQRRLNZIZJXGHU-UHFFFAOYSA-N 453.970 5.260 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1790512910 UZMYQOKXGRMFKG-UHFFFAOYSA-N 491.975 5.145 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1790570044 QEQDOOMPCJEPBB-INIZCTEOSA-N 493.501 5.322 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cnc5cccc(Cl)c5c4)cc3)CCC2)CCC1 1790978991 OGPSKLTWXFDJKA-UHFFFAOYSA-N 458.949 5.330 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)cc2)CCC1 1790990169 AJDJULVEHDYSFR-OAQYLSRUSA-N 496.533 5.869 30 20 JKED CCN(CC)[C@@H](C(=O)Nc1ccc(C2(NC(=O)[C@H](C)ON=C(C)C)CCC2)cc1)c1ccccc1 1791126044 NGQXNHLRTXZUHF-SQJMNOBHSA-N 478.637 5.005 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4cc(Br)ccc4n3)CCC2)cc1 1791250526 TTXSMCSPBPUFFF-MRXNPFEDSA-N 481.394 5.057 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccc(Cl)c3F)cc2)CCC1 1792160382 XYZLJYDMVVEDJQ-CQSZACIVSA-N 463.912 5.167 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)n4cccc4)CCC3)cc2)cc1C#N 1792168653 CRWGCPWPWMPHBP-HXUWFJFHSA-N 470.573 5.156 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1802499480 SEZMTNVLFXYODH-RCZSKKKRSA-N 471.692 5.322 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1803089606 CJIKXUKAENVUTO-ATIYNZHBSA-N 489.019 5.371 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)C1 1806676177 NEDHJZXIBJNFLS-UHFFFAOYSA-N 463.068 5.319 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810273822 YOIRFJPMSDPQSE-BKMJKUGQSA-N 496.127 5.414 30 20 JKED CCCCCc1cccc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1 1811888344 BAVXCMSEAIQQNS-DGPALRBDSA-N 494.639 5.248 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812514250 LAKMZHREXTUMEX-LEEZEASISA-N 466.025 5.075 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1812590214 LXYMELFRKKFPSF-RCSBWOJUSA-N 469.585 5.406 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1812787895 BDJBGEYPFSRDOG-SEGPTPNXSA-N 486.660 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2OC)[C@H]1c1cccnc1 1813915652 CRJIDRQSZRQLLK-DENIHFKCSA-N 470.013 5.056 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)cc1 1814380836 BJHUUMOGFBUXDH-RUZDIDTESA-N 467.573 5.097 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1815090427 RESQXVUAXVYGEU-DVECYGJZSA-N 487.629 5.087 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817744382 YGYLPJQMWDFNFM-OAQYLSRUSA-N 479.531 5.297 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)ccc2n1 1818676872 RMJBPLGLDXSXHP-WXTAPIANSA-N 492.583 5.513 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)n[nH]2)c1 1818994899 MKKXHAPCKMSVLZ-FYSMJZIKSA-N 484.535 5.277 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2Cl)[nH]n1 1819303025 QASZSPCQBAOMEO-NQIIRXRSSA-N 458.965 5.205 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)[nH]n1 1819554086 DZNQLZFNBBUPCY-RDPSFJRHSA-N 477.653 5.459 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3F)n[nH]2)c1Cl 1820201915 CUTDTUFJGCQKKE-OAQYLSRUSA-N 490.926 5.175 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)n[nH]1 1820285435 WJGMXRHUKZZSIU-CVDCTZTESA-N 493.011 5.528 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccncc34)[nH]n2)c1 1823216832 OTOGEUXRWKRZEM-IQGLISFBSA-N 478.556 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)[nH]n2)c1 1823218169 YXANJKJYJXRJCX-FPTDNZKUSA-N 481.478 5.074 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[nH]n2)CCC1 1823382105 XIIRGRWUPWTEBW-MRXNPFEDSA-N 480.783 5.370 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)C1 1823700811 ZFUCVLQQIHNGEK-HSZRJFAPSA-N 473.539 5.386 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnn(C(C)(C)C)c3Cl)CC2)c1 1825567917 AJTJUWDZWWGDSV-QHCPKHFHSA-N 496.055 5.019 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1 1826268994 RCHFHCVSXABZPF-VWLOTQADSA-N 458.763 5.628 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cn(C(C)C)cc3C(F)(F)F)CC2)C1 1827779214 MKLKTJVVSITGHR-QFIPXVFZSA-N 465.560 5.287 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)[nH]c12 1828548770 BFWVYCNCSJNMFM-VWLOTQADSA-N 489.019 5.549 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc(Cl)c2)CC1 1828824745 PURWCKZJMICTKI-DNQXCXABSA-N 459.030 5.107 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccco2)CC1)c1ccccc1 1829029894 HNYUUJYJNPKRHU-OFIGOYSMSA-N 458.602 5.110 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2Cl)CC1)c1ccccc1 1829217172 XDMZJBSHHCGJKA-JYFHCDHNSA-N 478.036 5.166 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1829691776 RBDGHZRZVMZJMA-CYFREDJKSA-N 464.009 5.249 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829903228 BAEVNSYJUWIZSW-GJZUVCINSA-N 476.617 5.303 30 20 JKED CCCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)cc1 1830105182 CEOCARMIXSWJKP-MHZLTWQESA-N 473.617 5.066 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC=C(C)C)CC1 1830359288 UFVYASPQPYCIRS-DNQXCXABSA-N 489.701 5.212 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830360861 RSNAPXCDOAJGOZ-WZONZLPQSA-N 499.677 5.102 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1830605735 JNCQYYLJZZKVEP-XMMPIXPASA-N 480.008 5.157 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830858146 IJXHAZGGJSZARQ-HHHXNRCGSA-N 486.015 5.173 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831861810 YYHSEHTUDAUNOK-GCJKJVERSA-N 450.545 5.091 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1831925603 CJYSYMIANNBBEC-GTNKKZTPSA-N 476.661 5.255 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ncccc34)CC2)c1 1832632472 RQVDDDOHGIWGNN-PIKZIKFNSA-N 480.612 5.409 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1832633435 HVFPUXGLZOVPLV-AFMDSPMNSA-N 477.580 5.008 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1833290990 WXRBBCZRRIYRKG-UHFFFAOYSA-N 499.655 5.540 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1 1838373642 BSFRGGQXYHYTPH-OAQYLSRUSA-N 478.555 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)CC1 1838374914 NHHQPXRRMGMRAQ-XMMPIXPASA-N 492.582 5.015 30 20 JKED C#CCCC(=O)N1CC2(CCCN2C(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3Cl)c2)C1 1845542817 NGPSJSYZHIOMAN-UHFFFAOYSA-N 490.909 5.382 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1 9447917 YYYJRDZEIOAXMC-FQEVSTJZSA-N 497.624 5.353 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 10179300 QNBRLDNVKKENSP-UHFFFAOYSA-O 487.476 6.521 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(Cl)c2)cc1 10830805 ANAJMJQMDUIJQC-UHFFFAOYSA-O 469.074 6.537 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(SC(F)(F)F)cc3)s2)cc1 15604172 PITNAJBBFQBSLN-UHFFFAOYSA-N 452.508 5.566 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1cccc(C)c1 16862953 YPHHNPDKUJYJDH-CQSZACIVSA-N 480.943 6.231 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(CC)cc2)cc1 22731088 ORMQFGUQRLCZCI-UHFFFAOYSA-O 474.433 6.293 30 20 JKED Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2Cc2ccco2)c1 26489818 XXNWWWSLNXORTQ-FRQRHGNXSA-N 477.634 5.306 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1cccc(C)c1 29830841 TZYSRGMIEYGIPT-VWLOTQADSA-N 484.625 6.229 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 36821470 YDZIIFIGDFCAGX-GOSISDBHSA-N 468.598 5.733 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)/C(O)=N/c1nnc(C2CCCCC2)s1 45842529 YRTARRKHPRISEX-UHFFFAOYSA-N 477.512 5.878 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 46730072 CZKOWEZXFDMIPF-UHFFFAOYSA-N 462.018 5.757 30 20 JKED C=C(Br)CSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 68750501 PNVFTHMBJGDBBM-WQRHYEAKSA-N 495.345 5.682 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N(CC)CC)ccc1Cl 69200277 XIIDSMYBDLBLOR-UHFFFAOYSA-N 474.932 5.222 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(Cl)ccc2Cl)[n+]2ccc(C(C)(C)C)cc2)cc1C 71793485 RBLQJNCXUMKYRE-UHFFFAOYSA-O 486.488 7.246 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 78719902 DAELJQFVAPCECD-AFMDSPMNSA-N 453.542 5.289 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCSc1ncnc2sc(C)c(C)c12 115712247 GYUZJOACHGEQMA-UHFFFAOYSA-N 475.599 5.796 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)NCc4cccc(C#N)c4)sc3[nH]2)c1 116819402 QDNGEGHNWNRHNN-UHFFFAOYSA-N 474.611 5.004 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(N3CCCCCC3)cc2)cs1)c1ccc(F)cc1F 208900614 SDUJQHPRIPQACB-LCYFTJDESA-N 481.568 6.382 30 20 JKED C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)CCc1ccc(C#N)cc1 253591260 LFXIVRAJPZGVEE-MBSDFSHPSA-N 453.973 6.361 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c2ccccc21 255937347 IRPWIIBAZOOIEA-UHFFFAOYSA-N 454.458 5.181 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cc4c(F)cc(Br)cc4[nH]3)nc2C)n[nH]c1=S 302995195 LXBHJASXWXVRKQ-UHFFFAOYSA-N 493.387 5.194 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 303329473 JGNAVWXBRAFNMJ-TXJQDAASSA-N 487.669 6.166 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1 481380094 LJBXWODFLDCTSU-IBGZPJMESA-N 459.521 5.051 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc(OC)c1OC 484281129 ONRZXKJWPWJBPX-UHFFFAOYSA-N 482.939 5.407 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2)cc1 485990191 MTSNJHCMOXJQCN-NDEPHWFRSA-N 475.548 5.441 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccc(C)cc1 487419094 KBQSENCQUYXIJC-OAQYLSRUSA-N 486.519 5.139 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)C[C@H](C)O1 488013376 HWTUACGRCRBQJU-VXKWHMMOSA-N 471.576 5.149 30 20 JKED N#Cc1cc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)ccc1OCC(F)(F)F 490571429 VKGXTYARVVAOIE-UHFFFAOYSA-N 492.461 5.069 30 20 JKED C=CCN(C(=O)c1cc2c(s1)CCCCC2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491029465 VMSJDCIKQIVDMQ-UHFFFAOYSA-N 472.657 5.377 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 493038366 UYVSHKCKCYZTOG-UHFFFAOYSA-N 483.549 5.287 30 20 JKED COc1ccc([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1F 497078965 HXTVEBJMNMLAOZ-LLVKDONJSA-N 469.353 5.208 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 498001685 IKNINWRGUMBZPH-SANMLTNESA-N 473.548 5.684 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 498373271 JPRXYWMATOGPRV-UHFFFAOYSA-N 459.402 5.193 30 20 JKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 498831732 SWIDFFQIZVDPTJ-UHFFFAOYSA-N 468.985 5.697 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1 500281205 XMDWYPKQESQCPS-DEOSSOPVSA-N 477.358 5.113 30 20 JKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 501184275 XYJPUAMQWSTSJZ-UHFFFAOYSA-N 490.567 5.021 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nc(-c2cccs2)no1 501577950 ACHAUBKAMOYCAZ-ZDUSSCGKSA-N 459.984 5.661 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)CC2)c1 502243492 NTSNFMKDCFIPQG-VXKWHMMOSA-N 470.598 5.095 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(SCc3nc(C)no3)cc2)cc1 505673762 BELFLQVCYVXLOY-UHFFFAOYSA-N 472.526 5.595 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 507841213 LZKOEVDVHOLUAL-CQSZACIVSA-N 466.881 5.360 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1 508275950 RKUFNQNLUVIFHS-XMMPIXPASA-N 457.530 5.572 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c(C(F)(F)F)c1 511713885 RQMHFINNQMNEPX-UHFFFAOYSA-N 453.829 5.219 30 20 JKED Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 514108077 UWNOPVUWDNTCGM-UHFFFAOYSA-N 471.511 5.243 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1nc(-c2ccncc2)cs1 516331440 QLWYYYPFNBJYRA-LJQANCHMSA-N 490.382 6.037 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCC[C@@H](N4CCCC4)C3)cc2Cl)c1 517421313 VVUYRVIYQQHACY-JOCHJYFZSA-N 452.986 5.273 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 517849679 YYMKLPQSBCEAQI-MHZLTWQESA-N 468.532 5.131 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)C3CCC3)cc2Cl)c1 517940838 WCCBINHJBMELOM-VWLOTQADSA-N 473.960 5.387 30 20 JKED Cc1cccn2cc(COc3ccc(C(=O)Nc4ccccc4S[C@H](C)CC#N)cc3)nc12 518239427 CBXMHAIMVLHONW-LJQANCHMSA-N 456.571 5.868 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cn1 518255892 VDZOSHDJZTWLIH-SFHVURJKSA-N 462.575 5.989 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cc1C 520166554 YJXAGPGLZXMHMU-UHFFFAOYSA-N 474.568 5.731 30 20 JKED C=CCN(C(=O)CSc1ncc(C)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 520686412 BYYYFUFGQIYUKH-UHFFFAOYSA-N 451.404 5.527 30 20 JKED COCCN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1cccc(C(F)(F)F)c1 520940086 CZSCSBPRYCCIFJ-DLBZAZTESA-N 465.541 6.341 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 521293197 IOHFXFUDZYQPPI-INIZCTEOSA-N 496.778 6.403 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 521727468 UJINYMCPCJNHBY-IRXDYDNUSA-N 461.547 5.667 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1 523613597 WGLCDZNUMPNSIV-UHFFFAOYSA-N 493.542 5.257 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(CN3CCCC3)cs2)nnc1-c1ccc(C(C)(C)C)cc1 559327054 IHDRBCYYOCAXAP-UHFFFAOYSA-N 496.706 5.212 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc(C)nc21 587988806 RLFHTYPDNTVWNG-IUODEOHRSA-N 457.481 5.829 30 20 JKED C=C(C)COc1cccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1 589381970 GJZRQNCGRKMOBL-UHFFFAOYSA-N 458.558 5.294 30 20 JKED C=CCN(C(=O)c1ccc(C(=O)N(C)C)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 590452395 AUBFNQVKHXRXSG-UHFFFAOYSA-N 460.386 5.652 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)n1 591615873 OOJIXMNVQPDLCB-ZDUSSCGKSA-N 462.556 5.361 30 20 JKED Cc1sc2nc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n(C(C)C)c(=O)c2c1C 597521243 AFZAGTNNTZJMCK-ZDUSSCGKSA-N 472.661 5.197 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 603805807 IEZMLKBONSRHQS-UYAOXDASSA-N 453.951 5.483 30 20 JKED CC1CCN(c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2[N+](=O)[O-])CC1 604004131 YMQXUOXQBLQGBX-UHFFFAOYSA-N 484.556 5.728 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 604491583 ZHXVYZIOEKXKCV-UHFFFAOYSA-N 474.007 5.125 30 20 JKED Cc1cccc(-c2cccc(CNC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)c1 608851286 ZRTHGBUGYGXHRU-UHFFFAOYSA-N 466.541 5.315 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)COc1ccccc1OCC(F)(F)F 609010556 HQAYRNMCFZHOSV-UHFFFAOYSA-N 472.438 5.559 30 20 JKED N#C[C@H](C(=O)c1cc(I)cc(C(F)(F)F)c1)c1ccc2ccccc2n1 609090099 YWMIDQBLIJTCIG-HNNXBMFYSA-N 466.200 5.348 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc12 609184617 MJKLJXBSHILLBC-UHFFFAOYSA-N 476.989 5.604 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 609402897 TYHCHTLNASJFRU-QFIPXVFZSA-N 467.953 5.329 30 20 JKED CCOc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccccc2)cc1 609437355 OETWFKNHHVRHFR-NDEPHWFRSA-N 491.547 5.594 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609437568 AWKLKPUEEGHSTA-INIZCTEOSA-N 456.527 5.118 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2cnn(C(C)C)c2n1 613392145 KCTIDGZGBPCCLK-QFIPXVFZSA-N 477.593 6.601 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 613403323 FNVFALNFFDRBMI-OAHLLOKOSA-N 450.470 5.260 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)nnc1-c1ccoc1C 613907277 DKFWGBDWSWWRHM-QHCPKHFHSA-N 479.005 5.684 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 614072940 JXFUVKUKURHPNV-RUZDIDTESA-N 464.610 5.334 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 619209907 LULHMQLJOBMBHW-UHFFFAOYSA-N 477.568 5.060 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccc(C)s2)cn1 726118846 RQDYSKRXDOTQIC-LJQANCHMSA-N 488.038 5.087 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(-c2ccccc2)cc1 726572259 WQUVYPHCBJIYCX-UHFFFAOYSA-O 497.043 7.052 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)OCO3)[n+]2ccc(C(CC)CC)cc2)c1 726572462 GRPZDXQBBKVXAP-UHFFFAOYSA-O 471.602 5.911 30 20 JKED N#Cc1cccc(OCC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c1 726764002 NLCLZCQPLIMQKA-UHFFFAOYSA-N 459.889 5.463 30 20 JKED N#CCCCOc1cccc(/C=C2/SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)c1 726800999 CIENLTKKVBZXIU-QGOAFFKASA-N 464.490 5.674 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCCC2CCCC2)cn1 726888976 FDASYDMAZIXDLK-JOCHJYFZSA-N 496.633 5.030 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 727628147 SKVLDUJHDNMXAV-HSZRJFAPSA-N 492.934 5.541 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2)cc1 727629217 PIWGKOYHJGBIIF-SANMLTNESA-N 478.548 5.782 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 728109759 CVOAQSBGFBFTPA-QGZVFWFLSA-N 474.513 5.143 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 728738845 UDNPJBUBBOVIIX-SXOMAYOGSA-N 483.612 6.378 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 729566389 QWDUVRULDOXYPN-IBGZPJMESA-N 480.565 5.080 30 20 JKED N#Cc1ccc(N2CC[C@H](OC(=O)c3ccccc3C(=O)c3ccc(Cl)c(Cl)c3)C2=O)cc1 729727741 SDMLMOXBXBWAKU-QFIPXVFZSA-N 479.319 5.058 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2cocn2)C1=O 730729396 LUGAHAPFIOZXRM-CIKHDRDXSA-N 498.630 5.115 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)cc2)cc1 730736480 OABXZIROAXMSEK-UHFFFAOYSA-N 450.832 5.616 30 20 JKED Cc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)sc2c1 731080097 YLNKIOPQIFQJLX-CQSZACIVSA-N 458.992 6.053 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2)cc1F 731305540 LTNMRVILUCTVAI-QHCPKHFHSA-N 493.560 5.009 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c1 747602375 ZYKUIMMNXDAVCU-OAQYLSRUSA-N 464.616 5.229 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCc2ccc(-c3csc(C)n3)cc2)C1=O 914548051 ZFLBIPPHOKDGOE-OAQYLSRUSA-N 499.061 5.082 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 914548913 VNABBIMAYSCKSM-QHCPKHFHSA-N 477.561 5.133 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cccc(F)c2)cc1 914773070 WTXCFRKTMLUTPP-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2F)o1 915112275 WUUOUTNQNVLJRJ-NRFANRHFSA-N 487.503 5.208 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1Cl 915179687 GADHDQUKUUKQRC-QFIPXVFZSA-N 482.005 5.278 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2cc(C)c(OCc3ccccn3)c(C)c2)cc1 915954141 NKTPIDZANNUJQF-UHFFFAOYSA-N 459.575 5.106 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccccn2)C1=O 916204378 DHNORGPFVKVOHU-OAQYLSRUSA-N 498.967 5.043 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)c(Cl)c1 916205594 QQLDGHQCHRLHER-KRWDZBQOSA-N 487.906 5.868 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1Cl 916209109 DZXCKYGWWQUZJX-KRWDZBQOSA-N 479.345 5.048 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2ccco2)C1=O 916212806 YVEZSJHWEIYNRH-JOCHJYFZSA-N 463.559 5.066 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2)n1 916886398 GHFLOGUBSUVYOZ-SFHVURJKSA-N 489.594 6.020 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916900893 URHDIUDHXFVORA-LJQANCHMSA-N 489.934 5.760 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916936676 SMQCPJFVUIYWLY-LBPRGKRZSA-N 455.923 5.778 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976042 IHGRXEZQDAPQQF-DJJJIMSYSA-N 455.992 5.779 30 20 JKED CN(C(=O)CSCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCCCC1 916997156 SBKVSPSYTJHMKY-QGZVFWFLSA-N 496.485 5.817 30 20 JKED CCN(CC)C(=O)N1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 916997393 XPAWSBFADSBUSF-QGZVFWFLSA-N 479.433 5.467 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(C)s2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 917045084 WXBJKPOXHAHVSS-NTMALXAHSA-N 475.488 5.998 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cs1 917560129 HKZMFKHTYHDFEG-FLIBITNWSA-N 450.869 6.396 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc3c(ccc4ccccc43)o2)cs1 917560426 YEOXUSTVISMZRK-XFXZXTDPSA-N 472.953 7.277 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(C(C)(C)C)cc1 917609773 MKRIEPLRQMEUFJ-UHFFFAOYSA-O 455.647 6.220 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(C)=O)C=C1)=C(/S)Nc1ccc2ccccc2c1 917610106 HEMNSYMLIZYSCK-UHFFFAOYSA-O 468.602 5.783 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N([C@H]2CCN3CCC[C@@H]3C2)C1=O)Nc1ccccc1 917701594 UVCNCEZLBTZWBB-ZNZIZOMTSA-N 498.652 5.427 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccc(Cl)c1 917702381 GCECNISWHAQCAI-QFIPXVFZSA-N 474.973 5.372 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O)Nc1ccccc1F 917703213 ZMDLIHJGVLTQPC-LJQANCHMSA-N 475.467 5.502 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)n2)cc1 920143449 PTZKNWVQRROARE-BEFAXECRSA-N 481.364 5.218 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC2)C1=O 920171171 SGVCFEBSTAIOSE-SFHVURJKSA-N 492.384 5.123 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc(-c2ccncc2)cs1 920264950 FLCVYFKODMAFSI-KRWDZBQOSA-N 481.400 5.510 30 20 JKED Cc1c(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)nnn1-c1cccc(Br)c1 920389795 UJAZTJVMHGWCKH-YFHOEESVSA-N 475.346 5.208 30 20 JKED CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807053 WVWMDGMZGVNKJV-QFBILLFUSA-N 486.519 5.072 30 20 JKED COc1ccc2c(C)c(CCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c(=O)oc2c1 920807119 YMLFRCCQCZKCOJ-KRWDZBQOSA-N 480.492 5.321 30 20 JKED CCOc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 920832010 AEAFHNJCUHMKKF-BYBNPLDISA-N 493.648 5.138 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(C4SCCCS4)cc3)s2)cc1 921193436 VXPXPEKNVBRTRN-UHFFFAOYSA-N 470.670 5.823 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786179711 BLACYBJBYJONHC-CZAAIQMYSA-N 469.532 5.003 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1786369169 SUXPWHSNJBRXKJ-UHFFFAOYSA-N 475.589 5.076 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)CCC2)cc1 1786371190 INXYTZPJNPRCOD-KRWDZBQOSA-N 479.964 5.334 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cncs4)cc3)CCC2)cc(C(F)(F)F)c1 1787534238 ISBNPCMOAHBGKG-UHFFFAOYSA-N 470.476 5.095 30 20 JKED CC[C@@H](C)[C@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)NCCC#N)CCC2)cc1)c1ccccc1 1787716030 MYENBIJMMXULEA-BWKNWUBXSA-N 474.649 5.232 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)CCC1 1787751975 JIDASIHCQIEXQF-KRWDZBQOSA-N 475.511 5.183 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CC[C@H]3CNc4ccccc4C3)cc2)CCC1)C(F)(F)F 1788067193 HOYYGDKNEQZHSY-GOSISDBHSA-N 471.523 5.304 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(OC)ccc5o4)cc3)CCC2)c1 1789241934 UMOPMPFJLRHHDK-UHFFFAOYSA-N 495.535 5.383 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)c2c1 1789273793 DALBIGAJXFSUFE-UHFFFAOYSA-N 478.552 5.304 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(F)c3)CCC2)cc1 1789514731 GNUADBROLCSHBM-UZWMFBFFSA-N 499.590 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc4nn[nH]c34)cc2)CCC1 1790093113 SOVLVKJIZORCJZ-LJQANCHMSA-N 463.969 5.127 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)CCC2)c1 1790226365 FJHRTSVLYQKBQC-UHFFFAOYSA-N 453.329 5.255 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCC1 1790313886 RSQMHYPLIHQEBW-WKULSOCRSA-N 469.463 5.165 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)F)c4)CCC3)cc2)c(Cl)c1 1790764394 XGUNVSMWFFCMKG-UHFFFAOYSA-N 480.902 5.606 30 20 JKED C[C@@]1(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)CC1(F)F 1790787435 LTQWLBALMVBOJF-NRFANRHFSA-N 477.433 5.370 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)Cc4cc(Cl)ccc4Br)cc3)CCC2)CC1 1791199616 OTFWZMJNZLEHGK-UHFFFAOYSA-N 486.797 5.083 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791729073 RKJODFLLEOKNGJ-QHCPKHFHSA-N 481.637 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c[nH]nc45)CCC3)cc2)c1 1792123524 GPICYMUOXWIOIR-GOSISDBHSA-N 463.541 5.251 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncncc5c4)CCC3)cc2)c1 1792123604 LSUKIPDKXCQYAB-IBGZPJMESA-N 475.552 5.318 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)c(C(F)(F)F)o1 1792235857 MIYMJVNAEBYQKY-UHFFFAOYSA-N 497.473 5.305 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)CC4(F)F)cc3)CCC2)cc1C#N 1792248387 UDXMNFDIIOPESY-DEOSSOPVSA-N 467.516 5.138 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(OCc3ccccc3)cn2)CC1 1794253304 IDGSYZFYCOGEIX-SFIUMABJSA-N 499.655 5.099 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)c1 1796474852 SXABIZPBWHDHTR-QEIWAGNOSA-N 487.720 5.360 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccc(Br)cc2n1 1798189932 UYPCYNXAQQXTCY-WKCHPHFGSA-N 482.422 5.018 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)c1 1799230117 VTZLENCUSIHTNZ-BJWYYQGGSA-N 493.888 5.244 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1 1800850790 JKLMSYPPLHPPSO-OOSCYNTBSA-N 499.561 5.388 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1802497940 LBTQKJHQUXXCGM-URXFXBBRSA-N 476.646 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1802742237 KHYBEQCEIFCNKQ-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1803087505 CDKRRSQEVVAVMT-CDCCBSOTSA-N 478.036 5.313 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C3)cc1C#N 1803840341 UOCXAILZOTUIJR-ZFWPHHPHSA-N 480.008 5.054 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)C1 1805088508 VEXYDYNOFYXINA-UHFFFAOYSA-N 494.035 5.466 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1805366010 YCIJRJNFKBUIBL-RPLLCQBOSA-N 484.600 5.133 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1807564851 JROLRLPMAZVIJC-KCWPFWIISA-N 472.633 5.194 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC#N)cc3)CC2)C1)c1ccccc1 1809162850 OMHJOINRJYCERS-KCWPFWIISA-N 471.645 5.427 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1810177882 IHDSQIGHLBAEHS-YOSAUDMPSA-N 486.443 5.785 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2(C(C)C)CCC2)[C@@H]1c1cccnc1)c1ccccc1 1810447856 PWDPQOCIGQWSBL-GMQQYTKMSA-N 471.645 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810955840 NGJGMECXFJOTGV-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1811997568 IMYLVVZAHYYSPU-LZFQIVBZSA-N 460.405 5.229 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1812115561 RQWQAYBBKPXYCO-KHMOSXFSSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1812592792 UHARVLATGFTHDZ-NJTBCWBZSA-N 453.586 5.280 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cncc2Cl)n[nH]1 1814364341 IWNABSDZDPFCQU-KRWDZBQOSA-N 464.397 5.410 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCN(c3ccccc3)CC2)n[nH]1 1814811970 JZDJADOXMOWROP-VWLOTQADSA-N 475.637 5.087 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCC(F)(F)CC3)n[nH]2)cc1C#N 1815023932 XEZYWOSFXDGEPJ-NRFANRHFSA-N 499.562 5.200 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1815209502 IQHREOSGBHVXIX-SFHVURJKSA-N 483.371 5.144 30 20 JKED O=C(C[C@H]1CCCCO1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1815607721 HJGYVNLCEXZRPJ-VPUSJEBWSA-N 496.611 5.075 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1 1818441452 RAEBNQGLEVGGON-OSPHWJPCSA-N 485.613 5.249 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819030691 MYJRIEULJFTGDD-HNAYVOBHSA-N 489.626 5.933 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1819365298 HEVCYTBIMRDHJS-BJKOFHAPSA-N 490.579 5.095 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c4ccccc4n4ccsc34)n[nH]2)cc1 1820099607 VPJXBSLOZVMQHJ-QFIPXVFZSA-N 494.580 5.368 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)n[nH]1 1820226011 VPIIWQQHXIRXRT-QFIPXVFZSA-N 496.970 5.760 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1F 1820497225 CGENDSOMTVSPPK-GAJHUEQPSA-N 459.525 5.104 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1)C(F)(F)F 1821992373 OWTPPWRDQCJLAO-KRWDZBQOSA-N 477.874 5.036 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)S)n[nH]1)c1ccccc1 1822385310 PAMLESWPANUUMF-ZWSUVBHBSA-N 499.725 5.075 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823217386 RHUQMZQMWFRXMX-AOMKIAJQSA-N 477.515 5.243 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCN(C)C(=O)OC(C)(C)C)n[nH]1 1823523364 JPAAGJWVUKFTGG-HXUWFJFHSA-N 489.661 5.041 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)CC2)cc1 1826478195 CHTAAJDWAAWDQP-RUZDIDTESA-N 497.561 5.247 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)CC2)cc1 1826478196 CHTAAJDWAAWDQP-VWLOTQADSA-N 497.561 5.247 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)CC1 1826682480 VVNQGAHMACEYBF-QHCPKHFHSA-N 486.641 5.433 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)CC2)C1 1827299552 OCESDJOBPVRLCN-RUZDIDTESA-N 492.660 5.839 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1827516320 SBBPRFSHVOVUON-RUZDIDTESA-N 464.650 5.217 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)CC1 1828601674 FSKBCPPAIYVQOI-LJQANCHMSA-N 488.451 5.201 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828656608 JEVPNLLFXSTEEX-AOMKIAJQSA-N 489.479 5.154 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(-c3cccnc3)n2)CC1 1828824182 FNLITLPMSMVHFO-LADGPHEKSA-N 478.662 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 1828830363 UUENCJWQZONRJX-GGAORHGYSA-N 459.030 5.350 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2OC)CC1 1829071509 QPQNXZWILPIXEP-QFIPXVFZSA-N 461.046 5.574 30 20 JKED CCc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc(C)n1 1829690048 IDONVJRKPXQDQG-DEOSSOPVSA-N 479.024 5.025 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc4ccccc34)CC2)c1Cl 1829690104 LACXTHJKTYGSPI-RUZDIDTESA-N 487.003 5.307 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 1830016193 BTAMKLQBQBAYIB-HSZRJFAPSA-N 487.497 5.263 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 1830631098 YEDXEENRFNWKJU-FQEVSTJZSA-N 456.011 5.015 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830778074 VMAIVDTUILQBLC-KBMIEXCESA-N 479.571 5.447 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3ccccc3)n2)CC1 1831446029 SBVDGVOITLONMJ-XMMPIXPASA-N 467.560 5.193 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CC(C)(C)C3)CC2)cc1C#N 1831932917 FODYHZSYCIMKDW-DEOSSOPVSA-N 465.638 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c1 1832632731 BLERMGBWXXSQFU-NIYFSFCBSA-N 486.641 5.470 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633048 DLWUMMDBXGWOQG-KDYSTLNUSA-N 475.608 5.237 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ncc[nH]4)cc3)CC2)c1 1832635811 SVUQYPGDLDEMFS-ZBLYBZFDSA-N 495.627 5.251 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832635932 ZBHQZEGINCQRNZ-NIYFSFCBSA-N 494.035 5.523 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cc3cccc(F)c3)cc2)CC1 1832733012 CULDTOPDBFSJRE-HHHXNRCGSA-N 460.593 5.063 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)CC2)c1 1832850005 BWNPNUMYUZQMDC-JIPXPUAJSA-N 487.619 5.418 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCSCc3ccc(C)cc3)CC2)CC1 1833079211 QKGQKIHJJLCZQJ-UHFFFAOYSA-N 499.765 5.182 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)Cc3ccccc3)CC2)CC1 1836675206 MROGAJDBDPGLFN-SANMLTNESA-N 466.666 5.022 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)C[C@@H](C)c4ccccc4)CC3)CC2)c1 1838762622 NEJIDDLTEVZLNK-DHIUTWEWSA-N 487.644 5.120 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cccs1)C2 1845227128 OABIQVFECBWIEX-FQEVSTJZSA-N 491.698 5.209 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2cc(-c3ccccc3)ccc12 1847265599 SNMLZJOZGPNSRU-ZEQRLZLVSA-N 456.590 5.038 30 20 JKED CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 10355326 KFPXBCYEIDUSRT-XMMPIXPASA-N 483.553 5.123 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NCc3ccccc3)s2)n(-c2ccccc2)c1C 10432987 QFEMVKABPDIVDN-UHFFFAOYSA-N 474.615 5.160 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)C(=O)Nc1ccccc1C#N 11063759 WERULNOBJDTCHD-MRXNPFEDSA-N 474.973 5.089 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 11127611 UHAYLIFIZXBXSE-UHFFFAOYSA-O 473.687 7.154 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)c1 11261543 VEXDBNZZWPYCJY-UHFFFAOYSA-O 459.635 5.820 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)CC2)cc1 16492393 UQCNBVNWEZCQAQ-UHFFFAOYSA-N 466.560 5.123 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccncc1 16726059 QMOQXKXMJGTUKZ-LBPRGKRZSA-N 467.904 5.318 30 20 JKED Cc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1 17106052 ONZXGJQBTCPXFZ-MRXNPFEDSA-N 451.621 5.206 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 21141533 HVPZNNGHTJMRPW-HXUWFJFHSA-N 484.625 5.526 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1cccc(C)c1 22093426 UZKHUASSGDICJD-AWEZNQCLSA-N 491.495 5.486 30 20 JKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 22938950 BSHNSQFEYLUZDL-NSHDSACASA-N 492.425 5.589 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1-c1ccccc1OC 36725402 QFNAFOKUVQFMPH-UHFFFAOYSA-N 450.589 5.564 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 108356326 YSBGEGRQGQZOPW-UHFFFAOYSA-N 467.856 5.527 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 195681604 FWTVLPLTZDRBBS-GOSISDBHSA-N 470.598 5.625 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)cc1Cl 209093898 FTYJEPQROJWDTN-FYYLOGMGSA-N 461.974 5.149 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)c1 255563873 UXBQIWNAIQPWBI-QFIPXVFZSA-N 479.005 5.512 30 20 JKED C=CCN(C(=O)c1ccc(-c2cnco2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476175968 SWLKEGSUAOGSRT-UHFFFAOYSA-N 456.354 6.605 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(C)c2C#N)CCC3)cc1 494997025 LTCIRAACVYLYIX-QGZVFWFLSA-N 486.597 5.131 30 20 JKED CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 501012875 CJTBCOPTIYZPBC-UHFFFAOYSA-N 484.618 5.682 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 504156188 OTIXUIUKQJPQKP-AREMUKBSSA-N 458.993 5.219 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 507904888 LJGZRRWWPBQQRK-UHFFFAOYSA-N 456.527 5.895 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 508293066 QNIQDWRLRIEQCT-JOCHJYFZSA-N 460.534 5.301 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)c1 508403032 QCCZNHUCSCPQBR-UHFFFAOYSA-N 474.564 5.025 30 20 JKED COc1ccc(CSCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1[N+](=O)[O-] 510282796 LIIUJWSTHCFTQI-UHFFFAOYSA-N 463.515 5.448 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 510856858 JHXVBWZQHULJJA-IBGZPJMESA-N 452.518 5.465 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511314723 LBZSBBYWKQMXQN-HXUWFJFHSA-N 470.573 5.638 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 513241743 LMPITQABJRUICQ-UHFFFAOYSA-N 492.363 5.831 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnc1-c1ccco1 514576002 XGQJPMRJKDDXOJ-LJQANCHMSA-N 477.977 5.598 30 20 JKED C[C@@H](c1ccccc1)n1c(SCC(=O)N(CCC#N)c2ccccc2)nc2ccccc2c1=O 514590709 XGXYZQQETPSEJV-FQEVSTJZSA-N 468.582 5.045 30 20 JKED N#Cc1c(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)sc2c1CCCCC2 514707330 QNXJMLCEZSLTOQ-UHFFFAOYSA-N 458.008 5.759 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Br)ccc1F 518655690 UZKPLEVLLQMLOD-CYBMUJFWSA-N 453.402 5.854 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(C)c1cccc(C#N)c1 518706342 GNFCXYILKJGMCR-HNNXBMFYSA-N 460.584 5.220 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 520935316 ARNPTZFSWAREQS-OAHLLOKOSA-N 499.061 5.689 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccnc2OC2CCCC2)cc1 522323032 UNBTZDVQVADBCY-UHFFFAOYSA-N 458.537 5.326 30 20 JKED C=CCn1c(Sc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])nnc1-c1ccncc1 524170886 APGICMGLBNZAPV-UHFFFAOYSA-N 472.530 5.146 30 20 JKED CN(C(=O)Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1)c1ccccc1 603995293 YNLIKNVYPHKRNU-UHFFFAOYSA-N 475.548 5.595 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)c3cccs3)cn2)c1 604143269 PHNJPFVKXRAAOI-QHCPKHFHSA-N 488.956 5.305 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1 604441691 TWKMXBMRGDOVBC-UHFFFAOYSA-N 493.588 6.120 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(C(F)(F)F)c1 608865752 VALZUBCWQGBQOU-QFIPXVFZSA-N 496.489 5.606 30 20 JKED CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)CC1 608922156 QIPYXEWOSCCCEY-UHFFFAOYSA-N 495.023 5.402 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)cc2)c1N 608924285 GFVGYIORIZYFIY-UHFFFAOYSA-N 474.318 5.133 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3c4c(nc5ccccc35)/C(=C/c3ccccc3)CC4)CC2)nc1 608951919 YLVJFJJYDWJDSG-PTGBLXJZSA-N 485.591 5.387 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1)c1ccccc1 609058309 KYPODIMNXYYUFG-UHFFFAOYSA-N 479.536 5.578 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609063240 SDORPSJLXJUUMP-UHFFFAOYSA-N 494.016 5.660 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(COc5ccc(C#N)cc5)o4)CC3)c2c1 609071509 BODJUNUOQPHGGQ-UHFFFAOYSA-N 455.514 5.240 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 609376509 BIZAJRDYDUNFPO-NZRVCZAQSA-N 483.637 6.057 30 20 JKED CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609433729 FLJOPYMQIWCFLB-FQEVSTJZSA-N 485.462 5.273 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 612314587 JBEQDFYKXLRQMV-UHFFFAOYSA-N 476.886 5.382 30 20 JKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 620002312 OJLGUUHWYUMQJD-CYZMBNFOSA-N 466.344 5.461 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n1 622283156 HIKBZWFHBFXPGY-SFHVURJKSA-N 454.477 5.667 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)S/C2=N/CCc2ccccn2)c1 726107383 BWWYNWYOTXWJLR-AGZANAATSA-N 486.641 5.078 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)c(F)c1 726411024 KDUYJDZZHOSUMA-INIZCTEOSA-N 470.353 5.121 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2)cc1F 726412962 UYOWPRFFDVVPMG-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(OC(C)C)cc1 726416582 XMGDCBPETJUSCI-IBGZPJMESA-N 490.969 5.016 30 20 JKED CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1sc(-c2ccc(Cl)cc2)nc1C 727651382 WJOIFQCQCNODAT-UHFFFAOYSA-N 461.012 5.049 30 20 JKED CCOCCCn1c(NN=C2CCCc3nc(-c4ccc(F)cc4)sc32)nc2ccccc2c1=O 727682914 AEFNCZSIQKVFSU-UHFFFAOYSA-N 491.592 5.238 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)cc1 728777734 LPGUDCLONBOGAC-QFIPXVFZSA-N 464.591 5.128 30 20 JKED O=C1/C(=C/c2ccc3ncccc3c2)CN(CC(F)(F)F)C/C1=C\c1ccc2ncccc2c1 730432980 AGOHUVRZZXNEOW-MSKUYSOUSA-N 459.471 5.697 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COc4cc(C)c(C)nn4)c3C#N)C(C)(C)C2)o1 730442665 DUXRIURVALSUFD-CLFYSBASSA-N 474.586 5.724 30 20 JKED O=C(C[C@@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730461549 FOVNLKGMPKQPSB-OHMGWRBWSA-N 479.499 5.226 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(F)c2)s1 730718834 QRAQXCSYPFGGNS-BEFAXECRSA-N 483.594 5.016 30 20 JKED Cc1ccc(F)c(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cccc(O)c2)c1 744117077 VEMALLGRRRNORD-UHFFFAOYSA-O 480.585 5.247 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(C3CC3)C2=O)cc1OC 745989052 HVZPUIIOCYPHSL-HXUWFJFHSA-N 488.009 5.097 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(CCOC(C)(C)C)C1=O 746695858 IVEQYCJFBADOAN-JOCHJYFZSA-N 483.634 5.087 30 20 JKED COc1cc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)ccc1OCC(=O)O 747154684 IXHNMYTWUBCSNL-DEDYPNTBSA-N 493.943 5.334 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCc3nccs3)C2=O)cc1 747603710 WIFKBJMEBAOBAA-NRFANRHFSA-N 494.642 5.053 30 20 JKED CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747873573 HVTNVSVOWQAZQA-IGKIAQTJSA-N 494.620 5.380 30 20 JKED CCCOc1c(Br)cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1OCC 748583566 GGZQWYKYSPVQAA-YHYXMXQVSA-N 474.351 5.489 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 750693065 CWIZSEHAFLDREP-NRFANRHFSA-N 478.593 5.100 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2nc3ccccc3s2)n(C2CCCCC2)c1C 753770516 MXMWLGQIGMITKJ-SEYXRHQNSA-N 462.575 5.287 30 20 JKED CN(C)c1ccc(/C=C2\N=C(SCCCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 780649506 MJGAXSJALOVHAJ-HKWRFOASSA-N 456.518 5.135 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccnc2Cl)c1 791095953 VSNJBYGWZGQWMI-UHFFFAOYSA-N 492.384 5.031 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1Cl 799212737 XVWVGXQQCMDRQN-AWEZNQCLSA-N 494.297 5.655 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3ccccn3)C2=O)c1 837738651 XKEWWAFRPCVCLK-JPYJTQIMSA-N 493.032 6.073 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837745404 SZTDDMZASKKLOH-MWTRTKDXSA-N 490.560 5.145 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cccs3)C2=O)cc1 838548679 CIRHJZRGARSFJM-NRFANRHFSA-N 499.564 5.389 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 879410550 WTQFJVAJPYCIPM-UHFFFAOYSA-N 470.554 5.597 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(C3CN(c4ccc(Br)cc4C#N)C3)n2)c1 904634901 SMINVVUMXOHZHU-UHFFFAOYSA-N 496.365 5.322 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nc(C(C)C)no2)c1 914889260 MJOHWGFCYPFTDL-INIZCTEOSA-N 489.981 5.146 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccc3ccccc3n2)ccc1Cl 915285300 PUBJYTATDRLDEF-UHFFFAOYSA-N 492.000 5.200 30 20 JKED COc1cc2c(cc1NC(=O)N1CCCN(Cc3ccc(C#N)cc3)CC1)oc1ccccc12 915306862 DMYIIBLBDSZIIH-UHFFFAOYSA-N 454.530 5.206 30 20 JKED C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 916056782 YDKPBOPVVIMMJH-UHFFFAOYSA-N 482.487 5.080 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CCCC2)C1=O)Nc1ccccc1Br 916205781 LODXFSXCMFWEFN-LJQANCHMSA-N 490.398 5.491 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccccn3)C2=O)cc1 916213065 XTNRXUSAFZTYIZ-NRFANRHFSA-N 464.978 5.204 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2C[C@@H]2CCCO2)cc1 916214296 LUUJSUFQDYSSHC-URXFXBBRSA-N 495.645 5.177 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc12 916928124 UMBWHKIZBFDMHF-QGZVFWFLSA-N 483.380 5.723 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)cc1OC 916934720 JATSANGGFQSZSA-HSZRJFAPSA-N 459.546 5.196 30 20 JKED N#C[C@H](C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946062 JGVSLUOUFMKMFG-GOSISDBHSA-N 460.342 5.229 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)n2)cc1 916975189 VWSMTEBUXZIVHP-RTWAWAEBSA-N 461.587 5.431 30 20 JKED COc1cccc(-n2c(C)nnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916976140 LJGINQLAYUAPAR-LJQANCHMSA-N 496.017 5.330 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc2cc(Cl)ccc2s1 917047159 SCLPIQZBCUUHFF-SFHVURJKSA-N 458.930 5.666 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2nc(Cl)c(Cl)cc2Cl)cs1 917538082 HYWWPRAOYBFGPQ-UHFFFAOYSA-N 475.188 6.282 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCN3CCC[C@@H]3C2)C1=O)Nc1cccc2ccccc12 917672116 CCEALBIFHKNKJJ-PLXFJCCSSA-N 498.652 5.427 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917686976 JHJMTMGDSSQFAG-ZDXQCDESSA-N 494.636 5.030 30 20 JKED N#Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2SCc2cccs2)c(C(F)(F)F)c1 918534653 NHPAUTVIIJUXPX-UHFFFAOYSA-N 482.530 5.050 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1OC 918607403 NUIJZCREDGOWQX-WEVVVXLNSA-N 452.938 5.474 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1 919907316 NFXFPJOSPVTXDI-CZSVHLHGSA-N 476.602 5.022 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)n2)cc1 920138881 LOFGKFPWJLDDFT-REWPJTCUSA-N 473.598 5.164 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)c2ccc(C)s2)C1=O 920169883 IPBAXPVJNAOJML-AOMKIAJQSA-N 497.617 5.926 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)n1 920328996 WYYKEKKDVXUIMB-GHTZIAJQSA-N 471.003 5.672 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 920871023 VUHDKTOFKKFQDQ-DJJJIMSYSA-N 498.407 5.375 30 20 JKED C[C@@H](/N=C\c1cc(Br)cc(Br)c1O)c1ccc(N2CCOC2=O)cc1 920941923 ZUTGISTVLUMBDP-VARIZKOUSA-N 468.145 5.054 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)cc1 921249171 BLCLFPNSFJSMMH-LVZFUZTISA-N 477.520 5.566 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 1357542624 HYFLQHRNDWHFSW-MRXNPFEDSA-N 482.443 5.158 30 20 JKED CC#CC[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2oc3ccccc3c2C)C1)c1ccccc1 1778543282 YOJAHWSDXCFCFL-LMGPPYNSSA-N 498.623 5.066 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1 1786680026 FCCUMTCHINEOIH-SAABIXHNSA-N 454.558 5.408 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C(F)(F)F)cc2)CCC1 1787397710 YFCCLGUJPQINAY-UHFFFAOYSA-N 464.484 5.337 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC(F)(F)F)cc2)CCC1 1787872658 YCKWKCHHZRQYKH-LJQANCHMSA-N 497.558 5.323 30 20 JKED Cc1cc(C)nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)c1 1788351958 WHZYUVCKRBGFRV-UHFFFAOYSA-N 482.584 5.419 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4n[nH]cc34)cc2)CCC1 1788382012 VPUPIJRNFBAGBU-UHFFFAOYSA-N 465.985 5.351 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5ccccc5n4)cc3)CCC2)c1 1788922153 FJXNRLNALNAVSY-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCN3Cc4ccccc4C3=O)cc2)CCC1 1789150507 ZCCDLIDTEXLJNY-UHFFFAOYSA-N 473.617 5.159 30 20 JKED Cc1nc2ccncc2cc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1789246760 ZBDPATDCNJRRQZ-UHFFFAOYSA-N 489.579 5.190 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCC(=O)Nc3ccccc3)CCC2)cc1 1789449851 XECAJNSWFTYUQI-VWLOTQADSA-N 473.617 5.698 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCNC(=O)OC(C)(C)C)CCC2)cc1 1789455164 MRIIDSVMKCEEKK-QFIPXVFZSA-N 469.626 5.194 30 20 JKED CCn1nc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)cc1C 1789508032 CSOPGALGEMQDHT-UHFFFAOYSA-N 464.686 5.010 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3ccn4cncc4c3)CCC2)cc1)c1ccccc1 1789600161 DJQDIYQMZDONCL-MHZLTWQESA-N 476.580 5.279 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)cc2)CCC1 1790011700 WPBWHEITZNXYNX-UHFFFAOYSA-N 454.555 5.558 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5ncccc5c4)CCC3)cc2)c1 1790072469 AJJSYJQBWJEPNL-UHFFFAOYSA-N 490.563 5.105 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)sc4Cl)CCC3)cc2)c1 1790147146 LWEJEJRNJSOTAY-UHFFFAOYSA-N 459.358 5.316 30 20 JKED CCSc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790289649 JZZMXQIATOUDIC-UHFFFAOYSA-N 456.571 5.127 30 20 JKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1)c1cccs1 1791815790 LXWSUFWQTSNJKE-MRXNPFEDSA-N 469.570 5.047 30 20 JKED CCc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124862 MUWIEBBJDISMJP-KRWDZBQOSA-N 458.587 5.394 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204274 VEEVSXGGDWXSIE-NWMLYGLHSA-N 493.604 5.286 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccco1)C2 1800175827 RGTPKBBODKUEEB-LRSLUSHPSA-N 489.657 5.175 30 20 JKED Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)o1 1800407486 PKSDCWSUDDBRRZ-CLLJXQQHSA-N 492.391 5.330 30 20 JKED Cc1c(Cl)ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)c1Cl 1803534127 DBHBMFBVNVMOCC-MUJYYYPQSA-N 476.791 5.393 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cc(Cl)ccc2Cl)C3)c1 1803683945 KHAYYXXVUIOXCL-YWQVJIEVSA-N 484.427 5.505 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cc(Br)c1 1803910736 QYNAEXUWWYUREJ-IYWMVGAKSA-N 465.819 5.123 30 20 JKED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1806621091 MAVFDWCUWWFUDE-QABMSTFYSA-N 499.570 5.352 30 20 JKED Cc1cc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)C2)c(C(F)(F)F)o1 1808402965 YRXHWCQTBYQJDC-UHFFFAOYSA-N 493.913 5.291 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1808707265 CNMBVMOPZMMXPL-JQVVWYNYSA-N 475.511 5.090 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)C1)c1ccccc1 1809162131 KEFULSRQFZHNFI-DWACAAAGSA-N 489.635 5.301 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1810272923 UEAQODYMFGLNKS-XCZPVHLTSA-N 487.720 5.330 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1811458951 FBBCOTSUZIBBIN-VGOFRKELSA-N 492.422 5.840 30 20 JKED CC(C)=CCCC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811872297 CIVNQAAUBSTKKW-RDPSFJRHSA-N 484.522 5.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1812113381 BTHFEZBOFQTARF-CPJSRVTESA-N 491.035 5.595 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812669183 ULPTZMPKVDRPCB-PUHATCMVSA-N 489.994 5.392 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813231767 XGPYYBKCISASSL-SBUREZEXSA-N 476.379 5.041 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1813863013 BWVYPVMTLKTGBY-NDVYYRMLSA-N 484.625 5.193 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1)c1ccccc1 1814739280 QWBSLUWRMNQSJU-CPJSRVTESA-N 469.589 5.100 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814828386 JLDLADNRWLIBHK-OAQYLSRUSA-N 451.958 5.009 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1815194466 IWSAFTIKETZNEJ-YXIOWOIOSA-N 497.039 5.068 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCCC[C@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818940940 GVNHVGLXYNYCEK-HNNXBMFYSA-N 492.395 5.216 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1819254908 YRAPFJONYRDUKF-LAUBAEHRSA-N 493.658 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[nH]n1 1819307319 FPZMXXZRSXEATI-AUSIDOKSSA-N 493.011 5.528 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)[nH]n1 1819309212 OUOPSHDGIAOZKT-SQJMNOBHSA-N 475.637 5.474 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)[nH]n1 1819309493 CNAPNDHHGIZOSC-LLAMVYDOSA-N 466.557 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)[nH]n1 1819554197 KDFIMWJVDOWAMR-OAQYLSRUSA-N 464.610 5.422 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820087774 GEFGBMNYXQGREW-NTKDMRAZSA-N 491.617 5.207 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2occc2NC(=O)OC(C)(C)C)n[nH]1 1820369922 RSPMDWPYVVFQPX-LJQANCHMSA-N 499.612 5.648 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4)n[nH]3)c[nH]c2c1 1820487412 XVWRIKVIOSISPE-UKEJNIAMSA-N 478.556 5.090 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821277075 FHWAFAUAPXQPRK-FQEVSTJZSA-N 483.906 5.141 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(F)c(OCC)c2F)n[nH]1 1821297116 JFUDTFOXCJMHPW-KXBFYZLASA-N 490.526 5.300 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[nH]n1 1822576557 UVJDKUQFTLECQK-DEOSSOPVSA-N 457.578 5.213 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccccc4n3C)[nH]n2)c1 1823215616 YGMNODNEDRGQLR-UUOWRZLLSA-N 480.572 5.148 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823216132 CABXUIKUUQMNSH-RUXCXATBSA-N 497.599 5.455 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)c3ccccc3)n[nH]2)cc1C#N 1823495549 BSLABDBLTOCYPI-NTKDMRAZSA-N 485.588 5.178 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3c(Cl)cc(Cl)cc3Cl)CC2)C1 1823697644 DCEQUBFHFAORQC-NRFANRHFSA-N 499.866 5.612 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2OC(F)(F)F)CC1 1823914860 WYDJKWABNNOYTG-SFHVURJKSA-N 474.470 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1824046124 GANLPKLWBMDBAZ-OFVILXPXSA-N 454.655 5.411 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)CC2)c(Cl)c1 1824861046 QYWHANHPXIYFCZ-BJKOFHAPSA-N 467.972 5.156 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccco3)CC2)cc(C(F)(F)F)c1 1825266686 LLIMCBSEWQTUTJ-BMOUEYTDSA-N 485.506 5.117 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(Cl)c2)CC1 1825938263 CJAACYGQUZREDI-QFIPXVFZSA-N 474.121 5.019 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360812 PXFXPSIMSSKHBQ-ACVONRCISA-N 463.622 5.022 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CCC(C(=O)OC)(CC2)CC3)CC1 1828459821 HMAGOGISHSVKAY-SAVAPUMLSA-N 486.697 5.112 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1 1828823369 FTDZBHUQNFDFBU-VSGBNLITSA-N 477.693 5.291 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnnc3ccccc23)CC1)c1ccccc1 1829031727 DNCPQGDFIXRNLO-SVEHJYQDSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 1829069166 MVBCCMSURPRBFE-SANMLTNESA-N 474.649 5.369 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)CC1 1829414496 AQADXKCUKSHNNO-OAQYLSRUSA-N 465.560 5.326 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1829631125 AYDSXUZBIHHOBV-HJPURHCSSA-N 489.994 5.612 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1cccs1 1829692258 HJWGIEKEQXXWKX-UWJYYQICSA-N 470.038 5.310 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1830415073 JYAIDSFXSHTHEM-AVRDEDQJSA-N 487.044 5.164 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830418314 TZSCAZHRKICKQW-QRWLVFNGSA-N 486.415 5.167 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830472489 WEVHUDFSHDVBIT-VWLOTQADSA-N 499.989 5.356 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830784919 WKLXHURPRMCKLH-VGOFRKELSA-N 482.452 5.336 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)CC1 1831203717 WUNFVHVBPLGJED-VSGBNLITSA-N 479.709 5.458 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C#N)CC1)c1ccc(Cl)cc1 1831306166 SIQFOFRLZZWSME-DHIUTWEWSA-N 458.046 5.249 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(Br)cc2C)CC1 1831446594 NADSHRBEWZPTGR-MRXNPFEDSA-N 489.426 5.264 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1 1831515334 PTCQCPSVODMJHH-NDEPHWFRSA-N 471.645 5.052 30 20 JKED Cc1nc2ccncc2cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832631265 BMQAIMVCWABBRR-WTYVLRPYSA-N 495.627 5.112 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1832632805 CJZQUOHAKJEDFK-AFMDSPMNSA-N 489.019 5.386 30 20 JKED COc1ccc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633980 QCZYSZFRYOMEAA-ZBLYBZFDSA-N 473.617 5.178 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)cc1 1832680481 LXINJGINZQYBTN-GDLZYMKVSA-N 499.655 5.213 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc(F)cc(Cl)c4)CC3)CC2)c1 1838822142 CAGSGXMLZDJDCS-GOSISDBHSA-N 497.998 5.032 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1-c1cccc(C(F)(F)F)c1 1847531418 QAAPUJJVNBVYGO-GOTSBHOMSA-N 483.534 5.351 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(OC(F)F)cc1 10172854 IKHPWZMGRLDCKN-UHFFFAOYSA-O 469.577 6.312 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N[C@@](C)(C#N)C2CC2)nnc1-c1ccc(Cl)cc1Cl 11023445 IQYSAHHGRODKMY-QHCPKHFHSA-N 486.428 5.450 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)cc2C)c1 16031777 RDJGHARJOHCNSJ-UHFFFAOYSA-N 485.005 5.599 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2sc3c(c2c1=O)CCCC3 20989869 ZYUAHMQLIKYMGF-UHFFFAOYSA-N 471.007 5.519 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 23601813 IJYYCMBHKSWVDU-CQSZACIVSA-N 464.616 5.053 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cccc3ccccc23)c1 28782895 OVPJVDQBYLYEAU-UHFFFAOYSA-O 466.413 6.793 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cccc(CC)c2)cc1 28811046 MUWGLEVDUXOSBA-UHFFFAOYSA-O 462.595 5.757 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 32785762 RTBDZURZGMIAIZ-FQEVSTJZSA-N 470.598 5.967 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1F 216506819 LUDPTFWZXIBKMO-ZDUSSCGKSA-N 466.460 5.288 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccc(Br)cc1 255941250 KBYJRYIYZKGGPH-UHFFFAOYSA-N 488.798 5.149 30 20 JKED C=CCN(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 476702859 BDMXURXVKYDLHV-UHFFFAOYSA-N 471.504 5.789 30 20 JKED C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 481710244 GDOVAHSKLOXIDM-DVECYGJZSA-N 458.537 5.233 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N[C@H](Cc3ccc(O)cc3)c3nc4ccccc4[nH]3)c2)cc1 483465737 ONDFEOPWXLFAHC-HHHXNRCGSA-N 474.520 5.646 30 20 JKED COc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 487694163 YDYJFNOMMZLFEB-LADGPHEKSA-N 487.987 5.176 30 20 JKED C=CCN(C(=O)c1cc(CCC)c(C)s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491029179 UBVULSMFDAAVKU-UHFFFAOYSA-N 460.646 5.369 30 20 JKED C=CCn1c(SCC(=O)N2CCC(OC3CCCCC3)CC2)nnc1-c1ccc(Cl)cc1 495668037 JJTIPLHOZKITDD-UHFFFAOYSA-N 475.058 5.217 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC[C@H](c3ccccc3F)C2)c1 500096747 DXBWOGBSNAPAJL-IBGZPJMESA-N 459.546 5.058 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 501324605 CRYCPNMDOXJTPO-UHFFFAOYSA-N 455.514 5.966 30 20 JKED Cc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1I 501469239 VIHZCFORXSBZOR-UHFFFAOYSA-N 482.321 5.497 30 20 JKED O=C(Nc1ccc(F)c(F)c1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503130956 MHENVCJLJZTSSM-UHFFFAOYSA-N 488.697 5.628 30 20 JKED Cc1nc(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)sc1SCC#N 504820128 SIPSJZGAOCZTRO-UHFFFAOYSA-N 499.668 5.316 30 20 JKED COC(=O)CCSCc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 504870761 PFMXFIXZFDYVCN-UHFFFAOYSA-N 462.596 5.758 30 20 JKED Cc1nc(SCC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)c(C#N)c(C)c1C 509672883 MAZGNXCEECTXJO-UHFFFAOYSA-N 457.024 5.372 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 512801282 KWWLDCHBYBGGGX-HNNXBMFYSA-N 493.938 6.079 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)nnc1C1CC1 514587189 LLXCOACSIFRSEM-UHFFFAOYSA-N 479.553 5.794 30 20 JKED CCCCCn1nc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2ccccc2c1=O 515172378 CDKMIBNDODHRON-UHFFFAOYSA-N 467.529 5.206 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)sc2C)cc1 516270198 PEASBAUVUALMMD-OAQYLSRUSA-N 455.564 6.217 30 20 JKED C=CCn1c(SCC(=O)Nc2c(F)cc(F)cc2-c2ccccc2)nnc1-c1ccc(Cl)cc1 516780895 XSTYMLJJSJREQI-UHFFFAOYSA-N 496.970 6.461 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)c(C(F)(F)F)c2)n1 516816602 FJBYXJRLJQLHJW-UHFFFAOYSA-N 455.484 5.631 30 20 JKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 517473614 GCVLNOQTMOODIX-HOYKHHGWSA-N 463.578 6.192 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nnn1-c1ccc(OC(C)C)cc1 518236921 SNGMDCAAUIRFIV-UHFFFAOYSA-N 481.556 5.260 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 518683676 ZSAKXONSMVDLIB-INIZCTEOSA-N 469.998 6.086 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nnn(-c4ccc(OC(F)F)cc4)c3C)n2)cc1 518720868 DRQHQFMWWGJTPL-GOSISDBHSA-N 465.485 5.099 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cn1)c1ccccc1 520428870 AOEGPHUOWCEZAA-CRAIPNDOSA-N 461.493 6.113 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)sc2n1 520514338 GKZYEDVJSBHCRM-GOSISDBHSA-N 492.988 5.716 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc(-c2ccsc2)no1 520836881 CFQUEMDBKNMLGE-UHFFFAOYSA-N 452.483 5.394 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3S[C@H](C)CC#N)nc(O)c2c1C 521330581 SXRIXHRNGPUFGP-DOMZBBRYSA-N 472.661 5.668 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccccc1 580176493 QYIHGTSSVSVCQE-UHFFFAOYSA-N 456.930 5.268 30 20 JKED N#C[C@@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc(-c2c(F)cccc2F)cs1 589244827 LVAWUSWLXOOICS-AWEZNQCLSA-N 455.486 5.765 30 20 JKED CCn1ncc2c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc(-c3ccccc3)nc21 590612980 HYSQLAGCNQVIPL-UHFFFAOYSA-N 450.527 5.366 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c12 597993498 FYOFSTSSSMXHGQ-MRXNPFEDSA-N 492.601 5.933 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc12 603627082 PERFRXBSPUCHFL-UHFFFAOYSA-N 463.291 5.250 30 20 JKED O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603829809 LGOHUGSYVVFMHK-YUMQZZPRSA-N 465.297 5.227 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(OCc3cccs3)c2)cc1 604003080 ALOGUTCZVWOVQG-UHFFFAOYSA-N 454.551 6.224 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(C(F)(F)F)c1 608865730 VALZUBCWQGBQOU-JOCHJYFZSA-N 496.489 5.606 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1 609072209 DXQQALPIMPPUBW-UHFFFAOYSA-N 466.541 5.868 30 20 JKED COc1ccc2cc(CNC(=O)C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)ccc2c1 609085399 OXYSDFRMYJAJLG-UHFFFAOYSA-N 499.954 5.207 30 20 JKED CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609085669 CJEKCISQXIBHCP-SFHVURJKSA-N 491.975 5.394 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccco1 609369917 SPKDJENQWBBRDP-INIZCTEOSA-N 455.609 5.177 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC1(c2ccccc2)CCCC1 609400698 SWALHYODUJTQHD-UHFFFAOYSA-N 475.536 5.278 30 20 JKED C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434378 AHARQUCGOPQGPJ-JOCHJYFZSA-N 470.573 5.105 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1cccc(C)c1 619827352 DHEUIXGFQPVITJ-UHFFFAOYSA-N 453.999 5.274 30 20 JKED C=CCN(C(=O)c1cn(-c2ccccc2)nn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 642132172 JXRLLRVEGNRLNT-UHFFFAOYSA-N 456.358 5.530 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(CC[C@@H](C)OC)C2=O)cc1Cl 726400691 QMAVDCRGGJMKKZ-IERDGZPVSA-N 490.025 5.042 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)cc1 727028489 YROVOUFGWMCJFR-HHHXNRCGSA-N 490.567 5.380 30 20 JKED CCOC(=O)N(C)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 727029134 RDDCOCHVQSKRLQ-UHFFFAOYSA-N 456.930 5.089 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccccc3)nc2C)cs1 727781349 KGALCYYJGKZJSG-KAMYIIQDSA-N 459.596 6.464 30 20 JKED CCOCCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 728351909 RTGRPEJCAYJOSE-VQHVLOKHSA-N 468.575 5.208 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccccc1 728778890 VIKJQGARRXXEDY-LJQANCHMSA-N 475.401 5.648 30 20 JKED CC(=O)N(c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1)c1cccc(C)c1C 729767527 MARZXFOQVDCUPL-UHFFFAOYSA-N 458.543 5.280 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCC2)c1 730458477 ADBPPECKLCQIAX-GOSISDBHSA-N 478.401 5.515 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CCC2)c1 730460728 DCUSZTVGOHOEHB-DEOSSOPVSA-N 486.597 5.311 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccccc1Oc1ccccc1 730687061 LLHCWQNWJWCFCZ-SFHVURJKSA-N 475.957 6.022 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cocn3)C2=O)cc1Cl 730709828 CQAYWTHPLYRKKY-FQEVSTJZSA-N 498.992 5.114 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc2ccccc12 730710754 REFXIRPSEHOCQG-MBSDFSHPSA-N 499.596 5.204 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N([C@@H](C)c3cccnc3)C2=O)c1 730943270 BAPSDONSMUPMKP-YADARESESA-N 488.613 5.429 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl 731149020 FPXJHYBSKLMOCB-UHFFFAOYSA-N 466.998 5.397 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CCC2)C1=O)Nc1cccc(O)c1 731311243 ZLGAXTRTJWAEMX-GOSISDBHSA-N 464.374 5.212 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1F)c1cccs1 731311815 HVPIWLKEJXVVDV-IXJUYMRMSA-N 483.590 5.183 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731400885 XDGVRVDTOGEQEL-PXDATVDWSA-N 490.604 5.994 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N([C@@H](C)Cc2ccco2)C1=O 743523742 CEKPJUAJHLKZEF-SBUREZEXSA-N 495.576 5.327 30 20 JKED CCOc1c(Cl)cc(C=NOCc2cc(OC)c(OC)cc2Br)cc1OC 745660087 GSOLQYNFCNFLJU-UHFFFAOYSA-N 458.736 5.078 30 20 JKED Cc1ccc(-c2ncc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)c(C)c1 747264363 SNSOCDSVXMJAIT-QGZVFWFLSA-N 451.523 5.058 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 749750923 HRACREKAGNSGGE-XLIONFOSSA-N 473.627 6.008 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)nc(O)c2C#N)cc1 802829883 ZNOOLBLAVIQNJN-UHFFFAOYSA-N 495.775 5.420 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2cccs2)C1=O 837286212 UOBMJJIYMURTAQ-OAQYLSRUSA-N 479.627 5.534 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 838279212 DMBTVNSSNQTZLL-SBUREZEXSA-N 476.577 5.505 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(SC(F)F)cc2)n(Cc2ccccc2)c1C 842031796 KHRYZBGGMXLEMT-UHFFFAOYSA-N 469.513 5.135 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 913099777 SYIDEOBDRJSDIE-CQSZACIVSA-N 478.279 5.140 30 20 JKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c([N+](=O)[O-])cc1OC(F)F 915086901 OMBHGWABGOVKHK-GOSISDBHSA-N 453.401 5.113 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 915087862 XQPINTPTHGDBMP-QFIPXVFZSA-N 468.582 5.021 30 20 JKED Cc1csc([C@@H](C#N)C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)n1 915100144 JTOXECRREWMQGO-HIFRSBDPSA-N 466.613 5.327 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N2CCCCC2)cc1 915353744 WRFFTMHDTIGQFI-VSGBNLITSA-N 468.601 5.699 30 20 JKED COCCOc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1OC 915954465 FXLIUGKSWRSFLJ-UHFFFAOYSA-N 466.538 5.367 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1 916204516 HBBKOEFNXVXQTJ-QGZVFWFLSA-N 486.808 5.254 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccn3)C2=O)cc1Cl 916211186 LIHGCXKPFZZUIV-NRFANRHFSA-N 498.967 5.043 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccc(C)cc2)c1 916212422 MWAAOCINJPAQPX-XMMPIXPASA-N 489.597 5.173 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(OCc2ccccn2)c1 916680477 IFSGCEQFCNLFQK-KMRXNPHXSA-N 462.553 6.199 30 20 JKED CC(C)(C)c1nc(CN2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cs1 916681203 RCZWHUMOSYUXDP-XMMPIXPASA-N 473.646 5.446 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1Br 916887442 MUQWQYQYBITXND-HNNXBMFYSA-N 483.334 5.053 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Oc1ccccc1 916906920 WJFURNIAAMDMIJ-DEOSSOPVSA-N 466.537 5.668 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(F)cc(Br)c1 916908899 OGCKGPDXHKMERV-GOSISDBHSA-N 453.267 5.342 30 20 JKED COc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 916996532 KHDYPUSWXAQERQ-FZKQIMNGSA-N 486.380 5.355 30 20 JKED N#C[C@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042054 AZETZOBOHDAWTJ-TZIWHRDSSA-N 493.510 5.533 30 20 JKED COc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1OCc1ccc([N+](=O)[O-])cc1 917042406 FBIHYFOVJDUVSW-WMZJFQQLSA-N 492.503 5.054 30 20 JKED C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 917262094 JABJMTJCILKZAM-GFCCVEGCSA-N 456.873 5.034 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 917806241 XWLQYXCRJWRGDQ-UHFFFAOYSA-N 481.166 6.593 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cs1 919637053 GMJIJZUZJRGPMK-XMMPIXPASA-N 477.586 5.409 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 919864133 HXRYFMKJTAEWPI-CCEZHUSRSA-N 461.543 5.010 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 919931743 QECIZGAJWWUNST-RYUDHWBXSA-N 473.339 5.530 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2C)cc1Cl 920268160 MLEKQQGFFFZIIZ-FQEVSTJZSA-N 461.978 5.388 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc(Cl)c2C)cs1 920373904 NCKXYDIZGJDTTA-UHFFFAOYSA-N 452.889 6.254 30 20 JKED Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)Nc1cccc2ccccc12 920483417 JOXCGDSFMJNHCV-UHFFFAOYSA-O 498.628 5.871 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 921249670 MTVGEEWFYJRAHB-DISONHOPSA-N 483.688 5.737 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 921255113 WZIHBTNMKFRCJG-FQEVSTJZSA-N 477.989 5.256 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ncc(Cl)cc3Cl)cc2)CCC1 1785787870 UAPNYOFLYXAPMZ-GOSISDBHSA-N 452.407 5.091 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C4(NC(=O)OC(C)(C)C)CCCCC4)CCC3)cc2)C1 1785807444 CEZBXQADVMBEBE-UHFFFAOYSA-N 481.637 5.314 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(F)F)cc3)CCC2)cc1 1786367543 UFXPKBBAOVCKGV-UHFFFAOYSA-N 458.505 5.019 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C\c3c[nH]c4ccccc34)cc2)CCC1 1786781051 NQPMSAOVOOQWSZ-SZJVNEJHSA-N 458.562 5.116 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5[nH]ncc45)cc3)CCC2)c1 1788441980 FRIDEJBRRPOFFX-SFHVURJKSA-N 463.541 5.251 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(CO)c(F)c3)CCC2)cc1 1789509008 IHQZUGVCFNTXPD-UHFFFAOYSA-N 480.656 5.117 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790287651 LLJUZIHLPILBCT-UHFFFAOYSA-N 497.986 5.483 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)ccc4F)cc3)CCC2)c1 1790647330 LGFXRSMQMCBUMI-QGZVFWFLSA-N 457.505 5.220 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)c1Cl 1790858392 CYBDCYSUIYGRDB-UHFFFAOYSA-N 480.955 5.821 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)CCC2)cc1 1791243756 DWCNANKGYXJAPN-CPJSRVTESA-N 473.617 5.013 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791517730 NWCQGPXPXJOYCY-HSZRJFAPSA-N 483.653 5.254 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791589651 NNZQXIYXFPDCKY-AJTFRIOCSA-N 481.637 5.124 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1802491981 JDXTZGJJOWKUMT-LEAFIULHSA-N 484.644 5.261 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1803082197 OUXSNOSMPAFICT-YTMVLYRLSA-N 467.613 5.252 30 20 JKED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803446775 BPZSOQJEFXJMFM-IAOIPLGRSA-N 490.047 5.128 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CC[C@@H]3CNc4ccccc4C3)CC2)C1 1805453813 ZXKWZAUPJNLNDV-QHCPKHFHSA-N 463.666 5.051 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1)C(F)(F)F 1805938405 UYQRCCGFZUXFBL-UHFFFAOYSA-N 490.488 5.378 30 20 JKED CC(C)(C)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1806307003 DUSZCTBCJAHDMZ-YTMVLYRLSA-N 479.624 5.237 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3cnccc3C(F)(F)F)C2)CC1 1806891160 PRVPWDYMTMGBJW-NRFANRHFSA-N 477.571 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1807967870 YPRMDMWFJTYSTQ-WIYYLYMNSA-N 482.675 5.373 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1809549656 RXYJCXGOSBZVDI-DFXJHMEVSA-N 480.052 5.537 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)CC1 1809628027 HWARDCVIEYLQTQ-RNXOBYDBSA-N 477.693 5.588 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc4occ(Cl)c4c3)[C@H]2c2cccnc2)cc1 1811435923 PXHXULMUPLNXRX-BKMJKUGQSA-N 498.970 5.181 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 1811820252 UXDPEBPROKAKPO-RDGATRHJSA-N 482.100 5.106 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4cc(F)ccc4s3)[C@@H]2c2cccnc2)c1 1811937671 RIWBMRJPFVEFLU-RXFWQSSRSA-N 498.583 5.249 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1812002490 BVBMUDGAYWBCLA-JTSKRJEESA-N 476.404 5.071 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812804586 PKZARQMAGOYSHW-ZEQKJWHPSA-N 457.659 5.067 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1813964165 JMRYDEQOVMLCJT-JXHRLWIKSA-N 489.513 5.328 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)cc1 1814379644 JIUURIRXACAVRO-SANMLTNESA-N 477.568 5.373 30 20 JKED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814932836 FRTSMXIJQOPPCG-OHYLTARVSA-N 497.039 5.068 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815246443 LIKYCJJURJDHCE-LADGPHEKSA-N 478.618 5.462 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815246445 LIKYCJJURJDHCE-VWNXMTODSA-N 478.618 5.462 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)s1 1816353548 MPZNNVOYMAEXOF-FQEVSTJZSA-N 477.590 5.058 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)n[nH]2)C1 1817678089 YFMKEGFMQYRXKZ-JOCHJYFZSA-N 478.984 5.034 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)n[nH]1 1818159574 YCHIQXTWVTWQBL-QFIPXVFZSA-N 491.592 5.372 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(C)oc4cc(O)ccc34)sc2C1 1818374720 RMXAVTLCFSQXAM-OAHLLOKOSA-N 467.591 5.122 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)[nH]n1 1819303445 IQMVAXVVCBCTEN-YKSBVNFPSA-N 459.594 5.203 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)[nH]n2)c1Cl 1820219001 KAXBLXWDVSRFLT-OAHLLOKOSA-N 474.373 5.269 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)c(OC)c(C)c2)n[nH]1 1821229652 PSFDRIFNJMUIQQ-RBBKRZOGSA-N 450.583 5.109 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1ccccc1 1821278812 WBXWWBFFKIIMBT-ZHRRBRCNSA-N 461.953 5.044 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)cc(C(F)(F)F)c1 1821311544 ZCOMKBPCSACGLQ-OBUYZQBDSA-N 499.537 5.432 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)s1 1821693226 UCHZIWQPROFMAB-OAQYLSRUSA-N 490.633 5.285 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)[nH]n1 1821923934 SMKNKZYRIRVASY-MPQSRKKISA-N 474.605 5.329 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1821924608 FEORUIOIOFXXLW-KBXCAEBGSA-N 467.551 5.051 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1)C(F)(F)F 1821995507 VCGCODGZYMTRIK-NRFANRHFSA-N 468.479 5.501 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1822404021 MZZFJDWGXUIFAX-JOCHJYFZSA-N 450.489 5.237 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2c(Cl)cccc2Cl)CC3)cc1 1823495209 DUIOPYKLVMYYNJ-OAHLLOKOSA-N 485.396 5.056 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@]2(F)CCCC=C2F)n[nH]1)c1ccccc1 1823590755 RDCNDUJNHDCGGX-DVBNTOJCSA-N 480.559 5.345 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)cc3F)CC2)c1 1823930190 GDVXDAZWCAPILN-HSZRJFAPSA-N 498.396 5.007 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1824502547 NSCFRSUIHMNSHC-HSZRJFAPSA-N 481.464 5.518 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@@H](S)C(C)C)CC3)cc2n1 1824538693 RUIBIIPSGPYVKT-ZEQRLZLVSA-N 488.097 5.384 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3F)CC2)cc(C(F)(F)F)c1 1824731151 XWRAYHMWQIBFDR-HXUWFJFHSA-N 493.526 5.325 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC[C@@]23CN(Cc2ccccc2)C[C@@H]3C)CC1 1824812519 VYIMKKHMDAILHA-FGFMNRMISA-N 491.720 5.121 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360591 LIWXPHPSIQXAIY-FSVJATIDSA-N 489.660 5.578 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828508295 UHIMPPUAGOXLBS-AOMKIAJQSA-N 489.479 5.154 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1828773933 SSCGKFVRHVTLBP-HYBUGGRVSA-N 495.714 5.353 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)n2C)CC1 1828828509 LFOICGWEVCPZNP-UXHICEINSA-N 465.560 5.046 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1)c1ccccc1 1829030829 UAFOZMMVAQBARM-SXOMAYOGSA-N 488.676 5.069 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)CC1 1829369760 GFQYQIQEVBIKEP-GGAORHGYSA-N 474.045 5.135 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829903229 BAEVNSYJUWIZSW-NVQXNPDNSA-N 476.617 5.303 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1829999416 XTBZOTYJZPXJCN-HSZRJFAPSA-N 469.507 5.124 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830601142 VOMOLUJMRGMTTO-RUZDIDTESA-N 452.639 5.291 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1830606965 WEFHOGLXJIPOSM-HYBUGGRVSA-N 483.653 5.479 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)cc1 1830627107 LZWVAPYNNUYTBR-FKCDAAJZSA-N 491.582 5.068 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)nc2ccccc12 1830718695 LLZWPXBGGQSQEG-HHHXNRCGSA-N 484.575 5.101 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c(Cl)c1 1830722785 QVFYXVUDLBKRCX-QHCPKHFHSA-N 470.400 5.412 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)CC1 1830738559 UKMITFWTIJKBGO-HRAATJIYSA-N 461.990 5.002 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](c3ccccc3)N(C)Cc3ccccc3)CC2)C1 1831207827 FDKJZSBCALOAKA-LOYHVIPDSA-N 499.699 5.446 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)n1 1832091158 JWGAJOUTVCRLEM-HHHXNRCGSA-N 495.784 5.302 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1 1832556134 RTGLAEWFEUJXRL-MHZLTWQESA-N 455.602 5.291 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3F)CC2)c1 1832628753 AACQVEUAOIMXSX-JTSKRJEESA-N 453.583 5.061 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(Br)c3)CC2)CCC1 1832785119 IKXJETQMGLMAHZ-FQEVSTJZSA-N 492.845 5.030 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1832932458 JYMQDSPFBICVFT-NHTMILBNSA-N 491.717 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4cccc(F)c4s3)CC2)CC1 1835343486 GNRZYCUZYVTKMR-UHFFFAOYSA-N 485.669 5.218 30 20 JKED CC1(C(=O)N2CCC(OC3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)CC2)CCCCC1 1838390663 WAMNATKSGPBNOQ-UHFFFAOYSA-N 474.762 5.007 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(Cl)cc1Cl 9826196 CPXRTPVPYBLQBC-UHFFFAOYSA-N 475.445 6.601 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)sc1C)[n+]1ccc(C(C)(C)C)cc1 10118346 IYVAQFFIGCLFMI-UHFFFAOYSA-O 453.653 6.009 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10170958 IUOPNLSEUPYRLF-UHFFFAOYSA-O 471.577 6.519 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1cccc(Cl)c1 10755971 YRGYQVBZDVYWTI-UHFFFAOYSA-O 474.408 6.350 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 11260250 DHSAGUCPMNZVOI-UHFFFAOYSA-O 495.668 6.550 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccccc1Cl 16388202 GTLYJLBAVMEWKA-UXBLZVDNSA-N 457.860 5.540 30 20 JKED C=CCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2scc(-c3cccs3)c2c1=O 19357424 RHEOSUGLHSHYKJ-UHFFFAOYSA-N 499.042 5.326 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 21144089 UDCBDLFKKSUGCP-DJJJIMSYSA-N 491.400 5.403 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)c1 22729654 ICIYZMVIIODEAG-UHFFFAOYSA-O 451.562 5.799 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(Cc3ccccc3)cc2)cc1 22733334 VNEQJGJCHTTWQY-UHFFFAOYSA-O 495.624 5.695 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1OC 45839725 VIJAYLXYJRGQML-FQEVSTJZSA-N 484.625 5.850 30 20 JKED CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)[C@@H](C)c1ccc(C#N)cc1 105909488 GMMHLZKATNHJMW-INIZCTEOSA-N 474.483 5.311 30 20 JKED C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 108868136 VOBVTVANVRJHPE-NSHDSACASA-N 493.354 5.385 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1Sc1ccc(Br)cc1[N+](=O)[O-] 110453938 AUTRAJUQQGBENM-UHFFFAOYSA-N 465.304 5.004 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cc1 195575093 ROKPDMRGWWEYLL-DEOSSOPVSA-N 492.373 5.106 30 20 JKED C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 195623257 DKAIXEADHJXVBQ-GFCCVEGCSA-N 475.364 5.246 30 20 JKED CCOc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OCC 255947213 MLGQIYCOYFXAAY-IBGZPJMESA-N 460.599 6.139 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(C)(C)c1cccc(Br)c1 303144500 MTMAZLOGGLYGCK-UHFFFAOYSA-N 450.336 5.733 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 303146528 FHGJRCASHRCJKG-UHFFFAOYSA-N 456.477 5.327 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 303279427 LUEJRGALWLWMRO-JOCHJYFZSA-N 475.593 5.120 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)cc2)c1 303360045 PTXRQYNWMRARPP-FQEVSTJZSA-N 476.330 5.105 30 20 JKED CCCCCOc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC 409514594 QTDOQZRDYUNYFD-HXUWFJFHSA-N 492.620 5.257 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)cc2F)c1 481746946 VTWGXDQHYMQKSV-NRFANRHFSA-N 478.593 5.372 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nc2sc3c(c2c1=O)CCC3 483298574 PVIMFZUYBRZOHW-UHFFFAOYSA-N 457.527 5.358 30 20 JKED CC[C@@H](C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccccc1 504313021 DJQLLPZDVCUMGE-RTBURBONSA-N 463.607 5.352 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1ccc(C(C)C)cc1)c1nc2ccccc2s1 505863746 WGJGWKCALKQLSW-UHFFFAOYSA-N 494.624 6.248 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cncc(Br)c1 510294487 IAFDOZFMKHWHDZ-UHFFFAOYSA-N 451.777 5.146 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 510610120 VFMOUECKEMFHCW-UHFFFAOYSA-N 473.548 5.341 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 510670755 XRTGBYCERXYUML-UHFFFAOYSA-N 454.555 6.372 30 20 JKED CCN(Cc1ccccc1)C(=O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 512728278 LNWVKIMLTKXPKU-QHCPKHFHSA-N 460.965 5.166 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 513274358 SLDHNWKDGPFETN-LBPRGKRZSA-N 469.494 5.794 30 20 JKED CC(C)[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc2ccccc2[nH]1 514080143 OASMSXSKNLUCHY-VWLOTQADSA-N 455.537 5.683 30 20 JKED CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 514575282 QWBCKVAUEPHEMH-IBGZPJMESA-N 450.995 6.192 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)s2)c(C(F)(F)F)c1 515298543 MRJMBLNDSVXMOM-LSDHHAIUSA-N 461.431 5.932 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 516128706 GNPAASHMRUDWPX-UHFFFAOYSA-N 484.669 5.183 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)c1 516535477 LMBAIZBLMPIXDZ-UHFFFAOYSA-N 471.582 5.303 30 20 JKED N#C[C@@H](C(=O)c1cccn1Cc1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 517306754 VLPGKDYNTZYCDD-INIZCTEOSA-N 458.395 6.518 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 517473509 PFVORJRQEAYWMS-OAQYLSRUSA-N 481.625 6.172 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(c1nc2ccccc2s1)c1ccccc1C(C)C 518199016 DTOSUTDYVGJGOM-UHFFFAOYSA-N 485.609 6.824 30 20 JKED COc1ccc(CN[C@H]2c3cc(Br)ccc3SC[C@@H]2C)cc1OCCCC#N 520213746 RTWLKTJDBYCQRZ-OYHNWAKOSA-N 461.425 5.713 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(Oc5cccc(C#N)c5)cc4)CC3)c2c1 520936596 DKAKXBJQOKOWAH-UHFFFAOYSA-N 464.525 6.162 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3sccc3S(=O)(=O)NCc3cccs3)cc2)c1 521328304 MWFKJPAGYOCQLV-UHFFFAOYSA-N 495.607 5.204 30 20 JKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)CCc4c(C)nn(CCC#N)c4C)cc3s2)s1 522571733 KNELWCGVVYNRSC-UHFFFAOYSA-N 492.630 5.217 30 20 JKED COc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)c(OC)cc1NC(=O)c1ccccc1 523956231 FRVILTOSGBTBSW-UHFFFAOYSA-N 497.507 5.252 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524392036 RITDQUDCVAOFAZ-GOSISDBHSA-N 459.571 5.523 30 20 JKED CCCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccc(C)c1 589941293 AMMVOUVTEVZYDI-UHFFFAOYSA-N 451.621 5.206 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nnn(-c4cccc5cnccc45)c3C)n2)cc1 595869262 HUYFTPQITVCETB-HXUWFJFHSA-N 450.527 5.046 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCCN(c2ccccc2C#N)CC1 603671388 XKKYQWQCGNOPNA-UHFFFAOYSA-N 470.520 5.362 30 20 JKED Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(Br)c1 603755959 AONYZLASDLMYOW-INIZCTEOSA-N 466.335 5.531 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccccc1SCC#N 604010176 PKJMMTJZECGRSE-IAGOWNOFSA-N 471.026 5.409 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(Cl)c1 604140152 SEDWRVFSPHKCDR-FYYLOGMGSA-N 466.368 5.855 30 20 JKED CCN(C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)[C@H](C)c1ccc(C#N)cc1 604343315 DPXKZNOUMLBPKW-MRXNPFEDSA-N 485.968 5.375 30 20 JKED Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1F 609057766 VCWOGHGYTUZFBE-UHFFFAOYSA-N 459.433 5.275 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104500 ZCJBNKTYZKUHCT-UHFFFAOYSA-N 465.550 5.883 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 642252187 VGGRMQMSPKPYBQ-DEOSSOPVSA-N 458.562 5.666 30 20 JKED CC(C)NC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 642281361 COHAYFVBCAXLOM-SFHVURJKSA-N 487.412 5.815 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)nc2sccc2c1=O 645080307 UJIMHPDUWAWBPR-NEPJUHHUSA-N 470.645 5.332 30 20 JKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccc(N2CCCCC2)c(F)c1 725842051 AJZJSTDFGBKFOA-UHFFFAOYSA-N 479.600 5.177 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC[C@H](C)OC)c1 726398048 JSUVLAHDPIFKSE-KKSFZXQISA-N 490.025 5.042 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC(F)(F)F)c1cccs1 726421324 MGYFSHOJWKDJDG-XDDRMFMYSA-N 491.560 5.853 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cscn1)c1cccs1 726421380 MSHZJCLMFCYLSQ-KCCRQWGISA-N 492.598 5.073 30 20 JKED N#CCC[C@H](C#N)CSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 726770897 MEJYCARTOAYYGY-MXDDHBLUSA-N 473.360 6.053 30 20 JKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)CC3)cc1 727780987 ZDSPUYTUWROKAV-NTEUORMPSA-N 472.360 5.508 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cscn2)cc1 728424344 ZKFHFPPPPAULSM-QFIPXVFZSA-N 489.626 5.299 30 20 JKED C#Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)nc1 729012963 WJFDOKJGMNIECQ-HXUWFJFHSA-N 458.823 5.272 30 20 JKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729035545 GLUJCYRGUJOSJS-XMMPIXPASA-N 451.492 6.803 30 20 JKED CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 729320106 VYPSYVXINOKHTD-UNJYKCMZSA-N 465.962 5.019 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(C(C)(C)C)cc2)c1 729668472 KZJQZNIFOJFEIV-UHFFFAOYSA-O 471.986 5.356 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1c(C)noc1C 730442044 PNOJKCRAHIZNQS-JOCHJYFZSA-N 498.555 5.081 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 730686738 IOGWLIUIHNHKNO-GUYCJALGSA-N 499.441 5.005 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C 731067019 MDBHLQVPLYPHLT-SFHVURJKSA-N 486.593 5.582 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1SC(F)(F)F 731072688 CFZLZEALUZMZPD-CYBMUJFWSA-N 454.495 5.346 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 731080156 IWCWEPRPZBSJND-VNQPRFMTSA-N 463.386 5.531 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)nc1C 731225198 RAKWCPONXRNTTC-UHFFFAOYSA-N 479.635 5.055 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CC2)c1Cl 731312078 KHZWAWNFKZTXAO-MRXNPFEDSA-N 464.374 5.130 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744993257 CJVJQLRPJFVCPI-HXUWFJFHSA-N 499.423 5.342 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(Cc2ccc(F)cc2)C(C)C)c1=S 746026536 MDKIWWCOZREEGW-QFIPXVFZSA-N 454.571 5.120 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1nccs1 747603400 RLHBUULFCXQNDC-FQEVSTJZSA-N 482.606 5.048 30 20 JKED N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 747695164 JXJKYJIIZZCYIP-UHFFFAOYSA-N 469.469 5.076 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N1C1CC1 838486753 MUGZKISYBPNGAD-SFHVURJKSA-N 498.819 5.778 30 20 JKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 856653003 NCMNKMOJWLRLNM-MHZLTWQESA-N 484.600 5.188 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1OC 864094876 KOCUMYJMBKYASL-QBFSEMIESA-N 467.953 5.414 30 20 JKED Cc1cc(C#N)cnc1-c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904670258 KBYZFRAMOPMQGR-UHFFFAOYSA-N 457.799 5.838 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)c2)c1 913118480 UUQGTWCRTMVMPU-XMMPIXPASA-N 486.597 5.114 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 914539568 FQTIFDGZMSTDOO-FQEVSTJZSA-N 494.444 5.058 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccccc1OC(F)F 914542290 CDOYZMXWTULXSB-LJQANCHMSA-N 493.963 5.050 30 20 JKED CCN(Cc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1)C(=O)C(F)(F)F 915282778 WRSZRFDQFVGCFZ-UHFFFAOYSA-N 481.474 5.300 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915293952 VBQXLXHSRPLPNG-QRWLVFNGSA-N 453.311 5.650 30 20 JKED Cc1cccc(NC(=O)CN(CC(=O)Nc2cccc(C)c2C)C(=S)Nc2ccccc2C#N)c1C 915996114 SBTGATMWMXOBIA-UHFFFAOYSA-N 499.640 5.068 30 20 JKED CCCN1C(=S)N[C@@H](c2ccc(C#N)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916168821 MECVAZGNGNWGKQ-FQEVSTJZSA-N 458.509 5.131 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 916205559 PNXLYHFXOQJEMM-HXUWFJFHSA-N 459.999 5.035 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c(C)c1 916208085 SQGNKPRPJFZYNH-LJQANCHMSA-N 461.509 5.445 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(C)cc1 916211672 FEUYAMHPWIYEKR-OAQYLSRUSA-N 490.025 5.044 30 20 JKED COc1ccc(C(=O)Nc2cccc(C=Nn3c(C)nc4sc5c(c4c3=O)CCCCC5)c2)cc1 916273029 ORXZBMABMCWIQQ-UHFFFAOYSA-N 486.597 5.178 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 916632252 UCFGWTPMUSMLIB-XMMPIXPASA-N 494.517 5.519 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916927902 FGAVSAKNRQAPHS-GOSISDBHSA-N 452.297 5.207 30 20 JKED CCC(=O)c1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997897 ZUVLUTFTFAKMII-KRWDZBQOSA-N 459.354 5.965 30 20 JKED CCSc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(C)cc(C)c(C#N)c2=O)cc1 917569291 MWBLVJIQMNTSHN-UHFFFAOYSA-N 453.571 5.184 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cccc(OC(C)C)c2)C1=O 917696042 TZKZQRSUGQYXOA-LJQANCHMSA-N 480.417 5.048 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 918298831 DRKGHHKLXSXQEZ-GGAORHGYSA-N 480.593 5.296 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)o1 918414463 HPDRODXRLIGKJO-XYHYBEPMSA-N 453.542 5.188 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 920113620 IIBSOBVZDLUVEI-KXBFYZLASA-N 480.014 6.617 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccccc1C 920142480 KMTAUMYTQWGRJB-FQEVSTJZSA-N 489.626 5.374 30 20 JKED C[C@H](OC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12)C(=O)N(C)CCC#N 920706823 YDWVXLPCLDELND-LZNQSLFOSA-N 498.402 5.147 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 920871018 VUHDKTOFKKFQDQ-BFUOFWGJSA-N 498.407 5.375 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)COCC(F)(F)F)cc1 921255356 ZQOZADJNXJXWIG-XLIONFOSSA-N 493.551 5.231 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4cccc(Cl)c4)cc3)CCC2)cc1 1785992244 WBEPONRZKZJPCL-UHFFFAOYSA-N 459.933 5.038 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786182595 XBFHEFUGBKGZPA-XMSQKQJNSA-N 469.626 5.026 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786573869 WNHXDVJMLQULDJ-ZEQRLZLVSA-N 495.664 5.679 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cnc1C 1787009863 FBJPZIXBJXQZHG-IBGZPJMESA-N 452.558 5.387 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC(C)C)cc2)CCC1 1787663413 CVEFXWCWVSMHQA-NRFANRHFSA-N 457.615 5.026 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CCC2)cc1 1788029069 SSYBXYIHSSLVGD-AGILITTLSA-N 464.654 5.009 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cc(F)cc(F)c4)cc3)CCC2)cc1 1788250148 BZKJMHKZKBROJP-UHFFFAOYSA-N 459.496 5.021 30 20 JKED CC(C)(C)OC(=O)NC12CCC(C(=O)Nc3ccc(C4(NC(=O)CCC#N)CCC4)cc3)(CC1)CC2 1789216637 XIGNGMYDZAEBCB-UHFFFAOYSA-N 494.636 5.042 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)cc2)CCC1 1789220560 XAKRFQBSENJRCJ-UHFFFAOYSA-N 459.977 5.748 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1 1789256799 AGISHIBCTMPHFV-HNNXBMFYSA-N 455.605 5.511 30 20 JKED C[C@H](Cc1ccncc1)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1791038788 BYOKQHFXOQZPJE-GOSISDBHSA-N 472.976 5.233 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)C(F)(F)c3ccco3)cc2)CCC1 1791078722 VYJLZBHHLYIOAI-ZHACJKMWSA-N 470.497 5.006 30 20 JKED C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1)Oc1ccccc1 1791145901 OXNDUNOVQQICHU-FQEVSTJZSA-N 453.542 5.164 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3OCc3ccc(OC)cc3)CCC2)cc1 1791249562 USHAHKJNERRIIG-NRFANRHFSA-N 499.611 5.629 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)cc2)CCC1 1791451978 ZUROQLKKKAYYMG-HSZRJFAPSA-N 481.637 5.104 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@H]4NC(=O)OC(C)(C)C)cc3)CCC2)C1 1791476557 DBCMJNDZPKDGDJ-RKGYPADOSA-N 493.648 5.026 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CN(CC)CC)CCC2)cc1)c1ccc(O)cc1 1791646145 FPFVJLWILYMPCD-UPVQGACJSA-N 489.660 5.001 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1)c1ccc(O)cc1 1791646336 NDPOYZYSZUGTRZ-LJQANCHMSA-N 476.960 5.584 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C45CC(C4)C5)cc3)CCC2)cc(C(F)(F)F)c1 1792035526 AHDVAJWACGDJRY-UHFFFAOYSA-N 453.464 5.125 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C=O)s4)CCC3)cc2)c1 1792122227 HDBMSEBHEMMPSV-KRWDZBQOSA-N 457.555 5.249 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(CNC(=O)OC(C)(C)C)c(C)c3)CCC2)cc1 1792265281 JRVYHFGTUFSKLN-UHFFFAOYSA-N 489.616 5.181 30 20 JKED O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1ccccc1)C2)c1cccs1 1796896158 ODZFWIXWUPIOPZ-KGGVMIFGSA-N 486.593 5.231 30 20 JKED Cc1c(Br)ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)c1F 1797273447 ZGXKSMBBEVZURG-PPRPKMEESA-N 498.396 5.089 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccccc1C(F)(F)F 1800407165 CCZMBGSPRAWHCU-QDMKHBRRSA-N 488.403 5.429 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1802443715 RUKHYFJMBAFUSO-ZLXOTSJASA-N 491.016 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1802501095 SPNAVJLCBAGIRB-RCZVLFRGSA-N 498.067 5.834 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2F)[C@@H]1c1cccnc1 1802776367 ZEEYMQHOIJPUOY-GCJKJVERSA-N 457.977 5.186 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(F)c(Cl)c2)C3)c1 1803684462 KEGVZDFZOBWGQO-YFYLHZKVSA-N 474.363 5.325 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(Cl)c(Cl)c(Cl)c4)CC3)C2)C1 1804789265 OLGLVULEHXLQJJ-UHFFFAOYSA-N 455.813 5.458 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)C2)CC1 1807757257 ZLFQYFLERCLQOK-UHFFFAOYSA-N 484.591 5.192 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2cccc(F)c2)[C@@H]1c1cccnc1 1810172497 PVTYWNIWVSIRTN-KSCKTEMCSA-N 498.602 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1810174184 MEGXXUMBCIGDHM-DNVFCKCGSA-N 472.416 5.476 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1810175013 VTDAVZPQBDWJFU-OPJGWUQDSA-N 477.605 5.523 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1810175598 LVDDBNVBITZHEB-TXTKFYIRSA-N 487.522 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1810183759 XWSNHXMSHGTWCG-FTBPSBKWSA-N 478.036 5.241 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810499561 ZKNPEQXSLCPMDW-NOZRDPDXSA-N 467.730 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2ccc(C)cc2)[C@H]1c1cccnc1 1810500557 SSSQLIACOBVYBG-RDGATRHJSA-N 465.663 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1810504073 VXYUJRVSBDPMTB-NBGIEHNGSA-N 491.035 5.595 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1810504556 FIKKNRGKFBRXJK-SIKLNZKXSA-N 473.539 5.412 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c1 1810692479 XTKIPOULLKWPJD-MCCOCYNGSA-N 490.966 5.135 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c1Cl 1811132734 RYCRYHOQUFDJIT-GAJHUEQPSA-N 497.357 5.033 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811419532 IBKAVBPQRBFPLV-NSXLHWASSA-N 467.013 5.143 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3-c3ccc(C)cc3)[C@@H]2c2cccnc2)C1 1811524396 DOUSYQPXTUHJOZ-CUBQBAPOSA-N 465.597 5.343 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)c1 1811953854 UYKBTIHFLOJKFB-XNMGPUDCSA-N 466.585 5.019 30 20 JKED Cc1ccc(F)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814578398 DYYKGYWIECQALE-HXOBKFHXSA-N 459.525 5.104 30 20 JKED O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cc([C@H]2CCCCN2C(=O)C(F)(F)C(F)F)[nH]n1 1815534263 UZKLYBXGZOAHQY-MVGZEHJDSA-N 492.395 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C\c2c[nH]c3ccccc23)n[nH]1 1815787499 HDJIRFCERXFSIT-AZVMXLJNSA-N 457.578 5.365 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)sc2C1 1816952431 ZVUDBEYJMKFTQJ-SJORKVTESA-N 498.052 5.001 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)[nH]n1 1817124218 ZFTSQOLVALZPGK-QHCPKHFHSA-N 473.602 5.312 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3csc(-c4ccccc4)n3)n[nH]2)c1 1818362325 XTEODAXABYVHCE-JOCHJYFZSA-N 482.569 5.025 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ncsc34)n[nH]2)c1 1819156249 JYRHVSLLIMKNQN-OPAMFIHVSA-N 484.585 5.266 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)[nH]n1 1819553449 HXIGNZSUWBYBJO-CQSZACIVSA-N 469.533 5.183 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3F)n[nH]2)c1 1821087757 IDIAMGZKKSIIAR-IBGZPJMESA-N 485.441 5.059 30 20 JKED CC(C)(Cc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821178553 BWVHJQOUHRBKPL-XMMPIXPASA-N 469.589 5.051 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccoc3cn2)n[nH]1)c1ccccc1 1821376297 IVJZJQHMROEKSC-ZJSXRUAMSA-N 481.556 5.054 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cccc(Br)c3n2)n[nH]1 1821417362 DSNBLXYMHKQDLF-FOIQADDNSA-N 496.409 5.239 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1)C(F)(F)F 1821692146 AYOJBCACBUXDLP-OAHLLOKOSA-N 469.533 5.023 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)[nH]n1 1822403358 DJFJFMBNFLBDRF-HXUWFJFHSA-N 481.597 5.256 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1822584475 QWZXRHUJFLSYGS-LJQANCHMSA-N 452.555 5.263 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#Cc3ccc(Cl)cc3)[nH]n2)c1 1823210761 HXLOMAQYTYLYGT-UUOWRZLLSA-N 485.975 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)[nH]n2)c1 1823216714 MZOGOQRMJFRQPK-NLFFAJNJSA-N 481.600 5.465 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H](C)Oc3ccccc3)[nH]n2)c1 1823217408 RTSUCNQCJQJKFR-UMEGOILYSA-N 485.588 5.200 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)CC1 1823669844 GWCIWROFYMHFHI-HXUWFJFHSA-N 466.453 5.614 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1F 1824456000 DDYJFZUNUALDEQ-MHZLTWQESA-N 475.608 5.066 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccnc2Cl)CC1)c1ccccc1 1825086299 NNYQQFFRTQITLN-IZZNHLLZSA-N 492.063 5.094 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cncc4s3)CC2)cc1 1827266281 MDPJOMLQCZLEEF-QFIPXVFZSA-N 493.032 5.368 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccncc3-c3cccc(C)c3)CC2)C1 1827328730 NEEVEDDPCASIAR-HHHXNRCGSA-N 457.618 5.257 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827874920 YYNBFTPGGJFRCL-XNMGPUDCSA-N 471.645 5.750 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1)C(F)(F)F 1827875353 FAWOQSMTOWOWKE-QFIPXVFZSA-N 471.523 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)CC1 1828526352 SWZNUTNKWWNCPW-QHCPKHFHSA-N 466.622 5.667 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)CC1 1828933196 PXBMMXISZNCNSA-VHXCZSFDSA-N 466.691 5.486 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2C(=O)OC)CC1 1829068236 LZGZNOJZNRSHPC-RUZDIDTESA-N 482.665 5.018 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)n2)CC1 1829240116 JSSLMDHDHRXUHL-NRFANRHFSA-N 463.544 5.102 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3Cl)CC2)cc1 1829446429 LGEXFCDOEGDZSI-NRFANRHFSA-N 456.011 5.015 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)c1Cl 1829688830 JWEYETXEZMCMSM-HSZRJFAPSA-N 484.427 5.341 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829756558 LPBDGXGVWKZWOK-VWLOTQADSA-N 481.040 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccn(-c3ccccc3)n2)CC1 1829779088 DNYCWOBEWYDORO-RUZDIDTESA-N 462.638 5.098 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(C)C)no3)CC2)cc1C#N 1829801849 GDORRPRNNVKHKY-DEOSSOPVSA-N 492.620 5.004 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1830015142 JTAPJNUEGTVGHX-QHCPKHFHSA-N 469.507 5.124 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC4CC4)c(F)c3)CC2)cc1 1830016700 MGVBSJKTBTZIAR-AREMUKBSSA-N 489.591 5.033 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830359169 OHTPVDWHJNBERW-XRKRLSELSA-N 489.635 5.299 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1830631946 STKLIRKTPGLDDO-DEOSSOPVSA-N 483.534 5.319 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)CC1 1830637411 MOEPJOILKQWXNM-JWQCQUIFSA-N 461.606 5.343 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1 1831198834 GMUSLHKEGUVGSY-GGGSOPIKSA-N 499.655 5.223 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1831443839 BHGFVAMPEDBRPI-NRFANRHFSA-N 491.966 5.440 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F 1831455410 LBHCKBDHDGMUHR-GOSISDBHSA-N 480.424 5.196 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CCCC2)C1 1842593282 LRKHTZKFWOJNGO-QFIPXVFZSA-N 477.690 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccc(F)cc3)cc1F)C2 1844203732 HARJPZQYUHOMRP-JOCHJYFZSA-N 450.529 5.217 30 20 JKED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1844724269 SLLOXVHAJGTPQO-SFHVURJKSA-N 478.555 5.161 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2ccccc2)C1 1844867759 UNCXTZRSVXFICF-UHFFFAOYSA-N 474.677 5.347 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(CO)c2)cc1 11157698 CQSQQQOUNJCDDJ-UHFFFAOYSA-O 473.540 5.660 30 20 JKED C=CCN(C(=O)c1sc(-c2cccs2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 17346039 OLAXGKJOEQMRDY-UHFFFAOYSA-N 468.585 6.045 30 20 JKED C[C@@H]1CN(Cc2csc(/N=C(\O)COc3ccc(Oc4ccccc4)cc3)n2)C[C@@H](C)O1 22305408 LXEKBLMKDHUADZ-QZTJIDSGSA-N 453.564 5.212 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1cccc(CO)c1)c1ccc(Cl)c(Cl)c1 24033696 SPCDXXTVIDOHFM-UHFFFAOYSA-O 498.358 5.426 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 25838259 DLNFCTWDPBPHBM-UHFFFAOYSA-N 473.554 5.200 30 20 JKED CCn1c(SCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)nnc1-c1cccc(C)c1 32289681 CKSYXMIYSFUXAL-UHFFFAOYSA-N 483.597 5.455 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 33474896 BIAMPVQDGJSWMP-FQEVSTJZSA-N 453.571 5.362 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 108848579 ABUBFMBZPOCECU-UHFFFAOYSA-N 468.513 5.174 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1C 255049326 NHSYVETUCVTQRJ-SFHVURJKSA-N 460.397 5.128 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 302981270 VIAQYWCWKLWSND-JOCHJYFZSA-N 489.000 6.540 30 20 JKED C=CCn1c(S[C@@H](C(N)=O)c2ccc(Br)cc2)nnc1-c1ccc(C(C)(C)C)cc1 303286389 NHRWRHSYZJVEPI-LJQANCHMSA-N 485.451 5.510 30 20 JKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481687238 PPSJVFMCILKMEX-UHFFFAOYSA-N 474.536 5.032 30 20 JKED CCN(CC)C(=O)COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl 482258264 MKHJTBBXAYAMSK-UHFFFAOYSA-N 461.949 5.378 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 496626405 BDCJMGFDLCFQMM-UHFFFAOYSA-N 474.582 5.300 30 20 JKED Cc1c(-c2ccccc2)sc2ncn(CC(=O)N(CCC#N)c3cccc(Cl)c3)c(=O)c12 498104485 ARHRGMHICUBODZ-UHFFFAOYSA-N 462.962 5.034 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)O[C@H](C)C2 500042157 VOBXJVXSRNQTKU-PDXHDDNESA-N 459.571 5.070 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1C 501628727 NVUMTMBEKMYMER-IBGZPJMESA-N 469.614 6.004 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3csc(Br)c3)c2)cc1 505209356 GIGUBTAVJITZCX-UHFFFAOYSA-N 456.365 5.477 30 20 JKED N#CCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)cc1 508024871 HNJOBFMXEOOGQL-UHFFFAOYSA-N 467.550 5.473 30 20 JKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508243439 QJQOYVWJSYMQRO-UHFFFAOYSA-N 461.518 5.430 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510023456 MRYZMNNFLZWPAY-AREMUKBSSA-N 489.019 5.744 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 511566894 XXHJRKBMPAKIGA-UHFFFAOYSA-N 481.599 5.147 30 20 JKED C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nc2sc(C)c(C)c2c1=O 515598805 BKIDPHBUBZGMHR-UHFFFAOYSA-N 465.600 5.076 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(O[C@H](C)c4ccccc4)nc3)n2)cc1 516714113 QCLXWTHFYCWTOS-VGSWGCGISA-N 455.539 5.844 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)n2)cc1 516714159 RGDWHYOVDHFUPT-OAHLLOKOSA-N 486.450 5.652 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 517837910 SHCRPKLDRAGFDO-UHFFFAOYSA-N 466.484 5.227 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 517860496 MKRGILIGMIPUJT-UHFFFAOYSA-N 454.313 5.254 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 518701673 ZALUAHHONVTLJA-GOSISDBHSA-N 450.585 5.165 30 20 JKED C=CCN(C(=O)Nc1cccc(COc2cccc(F)c2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518752858 ALKVHQFWZFAICP-LJQANCHMSA-N 472.524 5.162 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 520540010 YXVCEVIZQYACDS-OAHLLOKOSA-N 454.596 5.419 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 521072098 LHNZUQIIGUYQOK-UHFFFAOYSA-N 474.605 5.024 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 521726885 MWSZJRJXIAAQNM-AVRDEDQJSA-N 484.581 6.067 30 20 JKED CC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 522206051 ZHLFORBOZPHILX-VWLOTQADSA-N 482.005 5.158 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524388020 DEPQMRWYBODIHZ-UHFFFAOYSA-N 455.514 5.124 30 20 JKED CN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524422761 DJHCHYHKNCWRAU-UHFFFAOYSA-N 486.330 5.180 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccccc1F 561136113 RCKDTXGUNMVRCW-QGZVFWFLSA-N 483.638 5.865 30 20 JKED Cc1c(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1OCC(F)(F)F 590145034 IPTVOTONECXPOQ-QWRGUYRKSA-N 452.317 5.531 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603563572 VSKFNCMXLZQOKO-UHFFFAOYSA-N 450.520 5.146 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl 604100713 LHKCJXFCWQJGPQ-UHFFFAOYSA-N 481.737 6.204 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCc3c[nH]c4cc(Cl)ccc34)c2)c1 604487891 FWXVLZZJCYEMAS-UHFFFAOYSA-N 457.921 5.309 30 20 JKED CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)cc1 608809465 JAXONTZVYIRJJK-UHFFFAOYSA-N 468.534 5.673 30 20 JKED COc1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)ccc1OCc1cccc(C(F)(F)F)c1 608983044 XJUUYHLFMDQYNR-UHFFFAOYSA-N 496.533 5.318 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3cc(Cl)ccc3Sc3ccc(F)cc3)CC2)nc1 608992987 RMSZIDWBYMARKN-UHFFFAOYSA-N 481.984 5.687 30 20 JKED CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609063238 SDAWMRSDYBFPTK-JOCHJYFZSA-N 467.978 5.245 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609073812 ZJRBKROEHVSVIL-UHFFFAOYSA-N 453.498 5.573 30 20 JKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609088386 UYOOUUMTBAOLIR-HNNXBMFYSA-N 483.902 5.227 30 20 JKED COCc1cccc2sc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)nc12 609210745 BVONBFZLOQTVCV-UHFFFAOYSA-N 460.534 5.688 30 20 JKED CCOC(=O)c1c(NC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)sc(C(C)=O)c1C 609221181 FOOHXHQBIVHDEH-UHFFFAOYSA-N 477.542 5.150 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(I)s1 609435309 FOWYDIMWWBVNRE-GFCCVEGCSA-N 471.389 5.111 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccccc2OC(F)(F)F)c1 619216356 GCZVKUVQVPVNBF-UHFFFAOYSA-N 485.487 5.118 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2c(F)cccc2F)cs1 620304275 SVCXZIBAEVDNOT-MRXNPFEDSA-N 453.495 5.614 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)Nc1ccccc1Oc1ccccc1 726319535 KAMBPFBJPYKNBU-FQEVSTJZSA-N 497.532 5.221 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726404193 SWGPYWCNBGUMHY-SFHVURJKSA-N 491.787 5.112 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1Cc1cccs1)c1cccs1 726416832 TYJVVXZLKVWYQD-CNAVFTNWSA-N 498.699 5.466 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726421355 MRJMDNMWDAHGFF-HQCDIWLZSA-N 485.553 5.099 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)o1 726639020 CEQATXSPINQNDW-UHFFFAOYSA-N 470.268 5.444 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccc(C)cc2)cc1Cl 726961954 FYCKFSLGICCVMO-UHFFFAOYSA-O 497.040 5.674 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(Cl)nc2)[n+]2ccc(C(C)(C)C)cc2)C=C1 727160452 QROMOBKXHPFAND-UHFFFAOYSA-O 482.029 5.414 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)cc1C 727650998 XUQBXCNSBUGFOA-VWLOTQADSA-N 498.608 5.366 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl 727655101 SVVVTNVMKSAXHH-XITLMJRVSA-N 496.441 5.186 30 20 JKED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 727999866 VCZOABPDOWNDOD-UHFFFAOYSA-N 450.882 5.017 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)cc2F)c1 728187172 TTYHNTIFNCDYAN-UHFFFAOYSA-N 494.613 6.163 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728775784 CEGSNMWDHYDPAN-QFIPXVFZSA-N 493.589 5.174 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 728776705 STVVGUNTRMHVRY-IBGZPJMESA-N 492.498 5.499 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1CCCCC#N 728777336 KGMFESDMPRLQLV-HXUWFJFHSA-N 499.434 5.412 30 20 JKED COc1cc(CNCc2ccc(OCC#N)cc2)cc(Br)c1OCc1ccccc1 729685379 OKGFQLLIJRILJO-UHFFFAOYSA-N 467.363 5.229 30 20 JKED N#CCn1c(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc2ccccc21 729769829 WBUQXYVCCDKQAS-QHCPKHFHSA-N 488.887 5.263 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(F)c2)s1 730718837 QRAQXCSYPFGGNS-KXBFYZLASA-N 483.594 5.016 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccccc2Cl)o1)c1nc(-c2ccccc2)cs1 730935330 CVASTIBSPCHGFP-OAHLLOKOSA-N 452.948 5.482 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730943669 IZSKDRXHBGTZKG-FDDCHVKYSA-N 493.032 6.073 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C2SCCS2)cc1 731060822 LIABKFDFTXVGHQ-HNNXBMFYSA-N 458.630 5.212 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cc(Cl)cc(Cl)c1 745989235 MWRRQUWLRFKGQT-IBGZPJMESA-N 494.400 5.157 30 20 JKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3cc(Cl)c(Cl)c(C(=O)O)c3)c2)cc1 746694831 GLOSAKOZBKZVDP-UHFFFAOYSA-N 491.352 5.137 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCCOC2CCCC2)C1=O)Nc1ccccc1F 747044749 XXYNLTGXIFLYST-QFIPXVFZSA-N 487.572 5.274 30 20 JKED Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 747343082 FVIZLOYFCMDIKJ-UHFFFAOYSA-N 487.519 5.063 30 20 JKED CCOc1ccc([C@@H](CNC(=O)c2ccc(C=NOC)cc2)c2c[nH]c3ccccc23)cc1OC 747709660 MWLROADMSYFOOH-HSZRJFAPSA-N 471.557 5.117 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2c(C)nn(-c3ccccc3C)c2C)c1=S 747786852 PEAWKHPGMLSQLT-UHFFFAOYSA-N 488.661 5.476 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)Cc2csc(Br)c2)c1=S 747789130 VRWOFAYABDHHIB-UHFFFAOYSA-N 453.406 5.320 30 20 JKED COc1ccc(Cl)cc1-n1c(-c2cccc(Cl)c2)nn(CN(CC#N)C2CC2)c1=S 747789410 RHPYUYZFTNYOMC-UHFFFAOYSA-N 460.390 5.331 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3ccc(Br)cc3F)n2)cc1 748009230 DARGUHPJAHBVKH-QGZVFWFLSA-N 486.391 5.693 30 20 JKED C=CCN(C(=O)COC(=O)Cc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 750247378 PXADPJGLMFTWGX-UHFFFAOYSA-N 486.380 5.293 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@H](COCC(C)C)c2ccco2)C1=O 750916673 OEOWFIBMALWQJM-IEBWSBKVSA-N 498.432 5.068 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(COc2ccccc2C#N)o1 751423462 XUGAZDLFUMDFSQ-VXKWHMMOSA-N 479.577 5.124 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 837286251 UZJGLEFEBQJZIY-KNQAVFIVSA-N 458.587 5.420 30 20 JKED CCCCCCCC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 890666032 QPYWKNKGCAIUDC-UHFFFAOYSA-N 450.988 5.295 30 20 JKED N#Cc1ccc(N2C[C@H](c3nc(-c4ccccc4OCc4ccccc4)no3)CC2=O)cc1Cl 904463190 FJVIAHGHRSMDIX-LJQANCHMSA-N 470.916 5.361 30 20 JKED FC(F)(F)Oc1ccc(NC(=S)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 914707759 ZOEMTGVNVWBRLX-RKDXNWHRSA-N 454.358 5.781 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(OC)c2)cc1 914772547 DAKHTZQGUGMLJN-DEOSSOPVSA-N 489.597 5.002 30 20 JKED N#CCOc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1 916151759 BFWUWLINGDLNRJ-QINSGFPZSA-N 473.488 5.444 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@H](C#N)c4nc5ccccc5s4)cc3)ccc12 916627238 HOWDDOBDIGJBAL-NRFANRHFSA-N 466.518 5.780 30 20 JKED O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 916698643 XYIYMOUDLPWISR-QWRGUYRKSA-N 459.381 5.596 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cnn1-c1ccc(Cl)cc1 916886818 KTXJFBLIEKHMFQ-KRWDZBQOSA-N 460.893 5.110 30 20 JKED Cn1c2ccccc2c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)sc21 916888327 VXRWMDWKFPYYNV-MRXNPFEDSA-N 455.511 5.669 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916906420 SYJOPUIVLBAMMG-FQEVSTJZSA-N 496.544 5.940 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 916931004 MUJDLMPVQXTVKH-NRFANRHFSA-N 455.489 5.263 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1OCC 916936293 GOAWPBHPOGCGLL-AWEZNQCLSA-N 453.297 5.281 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 916955831 VDPQZHZXFQMZDC-IBNJYYFUSA-N 455.967 5.004 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042136 BWCKYZZHKSHSMD-INIZCTEOSA-N 471.529 6.474 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3Cl)s2)cs1 917559921 FPPSSIACAQMXAV-DHZHZOJOSA-N 482.989 7.245 30 20 JKED Cc1ccc(C(C)C)c(Oc2ccc(C=Nn3c(C)nc4sccc4c3=O)cc2[N+](=O)[O-])c1 917580082 OWXJLDWQEFZOIJ-UHFFFAOYSA-N 462.531 5.781 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1O[C@@H](C)C(=O)N(C)C 917605405 RPPHEASBVBJYHA-JICACKBISA-N 494.569 5.474 30 20 JKED CSc1cc(-c2csc(=Nc3ccccc3C#N)n2C2CCOCC2)ccc1NC(C)=O 917647646 ZHPDEZAXDSDTMK-UHFFFAOYSA-N 464.616 5.352 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(OC)c2)c1 917666154 BTTQPCUIFREYTD-XMMPIXPASA-N 489.597 5.002 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c1 917671443 ZCEKTEXEOXDXIP-XMMPIXPASA-N 486.572 5.475 30 20 JKED N#Cc1ccccc1NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 920075144 SNLRNDFVFLUGOJ-UHFFFAOYSA-N 462.022 5.343 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc(-c3ccc(C#N)cc3)cs1)O[C@H](C)C2 920140503 HQCWOFUOGZMCBM-IVBNWWOISA-N 455.539 5.294 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cc(C)on3)C2=O)cc1 920353102 AUQYPKBULRDUQF-QFIPXVFZSA-N 462.575 5.069 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2cc(O)ccc2C)C=C1 920483847 OLIRJLGLEZFCHT-UHFFFAOYSA-O 491.633 5.771 30 20 JKED C=CCOc1ccc(/C=C\C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 920804120 LKKCWCSPTROKMF-GQSKFBFOSA-N 452.482 5.551 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)COc1cccc(C#N)c1 920844982 LWUYDWWAFJQYPT-UHFFFAOYSA-N 453.420 5.155 30 20 JKED COc1ccccc1NS(=O)(=O)c1cc(N=Cc2cc(Cl)ccc2O)ccc1N1CCCC1 920943663 BMABGDIPHSHZTG-UHFFFAOYSA-N 485.993 5.206 30 20 JKED Cc1sc2ncn(N=Cc3cc(Br)c4c(c3)OCCCO4)c(=O)c2c1-c1ccccc1 921256548 RYIYZEIGWGAEIK-UHFFFAOYSA-N 496.386 5.239 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3COc4ccccc4O3)cc2)CCC1 1786308531 IPVSPDJKQRFMJJ-HSZRJFAPSA-N 460.574 5.119 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc(Br)cc4F)cc3)CCC2)CC1 1786601509 UEDMGTWAPXMWPK-YCRREMRBSA-N 482.353 5.039 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1786678971 NPNVZEBEUOMPND-UHFFFAOYSA-N 457.599 5.416 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CCC1 1788894240 KRYDHMUHHHXTSS-RDRPBHBLSA-N 451.526 5.300 30 20 JKED Cc1nc2ccncc2cc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1789248818 YWDFGVRMAKNUAS-UHFFFAOYSA-N 498.703 5.737 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cncn3-c3ccncc3)CCC2)cc1 1789507553 HWJVXRSKCKVHSA-UHFFFAOYSA-N 499.691 5.066 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CCC1 1789880113 WJFURINUBZZRDX-UHFFFAOYSA-N 463.628 5.477 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789991282 DYGUYIFZEFSZMJ-UHFFFAOYSA-N 494.595 6.339 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C45CC(C(F)(F)F)(C4)C5)CCC3)cc2)c1 1790255875 XWRQIWCRPYTQGI-UHFFFAOYSA-N 453.464 5.039 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C45CC(C(F)(F)F)(C4)C5)CCC3)cc2)cc1 1790285823 VYRNXMJBZOJYET-UHFFFAOYSA-N 453.464 5.039 30 20 JKED Cn1c(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)ccc1C(F)(F)F 1790520248 KKRSGOVZLBUMKO-UHFFFAOYSA-N 498.480 5.045 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)cc3F)CCC2)cc1 1790567872 QPBLQVFSYGFSNA-GOSISDBHSA-N 469.557 5.162 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C(F)(F)CC=C)cc2)CCC1 1791300224 JWTQCWZGABKPNX-HXUWFJFHSA-N 491.579 5.191 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ncc(Br)cc3C)CCC2)cc1)C(F)(F)F 1791302040 LBSFFSZOKNACBI-UHFFFAOYSA-N 482.300 5.019 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3cccc(C)c3)CCC2)cc1 1791587604 VTGQHJVASBWVTD-XMMPIXPASA-N 491.632 5.661 30 20 JKED Cc1ccc(NCCC(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)c(C)c1 1792239914 GKENZIMGSSYGCU-UHFFFAOYSA-N 496.611 5.190 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(s3)CCN4C(=O)OC(C)(C)C)CCC2)cc1 1792263858 CYQLLLMULUQYFE-UHFFFAOYSA-N 493.629 5.207 30 20 JKED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800811003 MCZUOYSAJSSAIZ-XGAJZPNHSA-N 484.596 5.475 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(Nc2cccc(OC)c2)CCSCC1 1801434619 MUDWOIIEAZKFEG-NUNAXRQHSA-N 499.721 5.004 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1802390910 TUKNFSGSSBLTCX-LITSAYRRSA-N 486.660 5.198 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1802393603 QZTYKCIDLGHVJZ-OUXSMCDZSA-N 486.660 5.198 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]31)C2)c1ccc(O)cc1 1802415520 HJJAPIJXGSMZQW-NINFPKFFSA-N 476.661 5.134 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1802733270 CJHYESNIPSXMIN-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Br)c(OC)c3)CC2)C1 1804866855 PSAVHYVFAMBFRE-UHFFFAOYSA-N 491.470 5.295 30 20 JKED C[C@@H](C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C1)c1ccc(Cl)cc1 1805188015 CVWBUYMEXOFFQB-OAQYLSRUSA-N 478.036 5.179 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4c(Cl)cccc4Cl)CC3)C2)c1 1805329266 ZXXCNHBTSWDCQT-UHFFFAOYSA-N 484.427 5.343 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@H](CNC(=O)CC#N)[C@@H]3c3cccnc3)cc2)cc1 1806284382 KTIZRCMYLTUXQS-PXJZQJOASA-N 480.612 5.324 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4c[nH]c(-c5ccc(F)cc5)c4)C3)CC2)c1 1807705161 MFWYZHJOIKNWQL-NRFANRHFSA-N 498.602 5.606 30 20 JKED Cc1nc(C)c(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)C2)s1 1808236660 UHYIAWGKVNCDBI-UHFFFAOYSA-N 497.664 5.318 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)Cc3ccccc3Cl)C2)CC1)c1ccc(O)cc1 1809226590 URSLHBUPRXSYJM-HSZRJFAPSA-N 493.047 5.017 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)/C=C/c4cccs4)C3)CC2)cc(C(F)(F)F)c1 1810002369 PIJBFCBJKSIPHU-SNAWJCMRSA-N 487.547 5.197 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810075149 KBDBRKMKBNQUBN-CYFREDJKSA-N 479.024 5.528 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1)c1ccccc1 1810446124 NJJZVICSLKMJBX-GYGTVUFYSA-N 496.655 5.224 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)nc2Cl)[C@@H]1c1cccnc1 1810667850 WKABFUURUKPHLQ-PXNSSMCTSA-N 475.420 5.095 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cccnc3SCc3ccccc3)[C@H]2c2cccnc2)C1 1811162766 LOORUSSLYGHIHM-JYFHCDHNSA-N 498.652 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1811164052 VJUBAEUHYMSFNJ-LEAFIULHSA-N 480.612 5.232 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)c1 1811935659 DKKSAQWYEZBDPM-DZOIMXGNSA-N 484.644 5.188 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccncc3-c3cccc(C)c3)[nH]n2)C1 1814394009 VUUWSSWZWXCBLB-DEOSSOPVSA-N 455.562 5.052 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1814443182 PAEMNHAQQLSUEF-LJQANCHMSA-N 451.596 5.318 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1814445294 IOLGSCDGZOTURX-SFHVURJKSA-N 485.610 5.095 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)c(F)c2)n[nH]1 1814672720 TWNSXVLWOQNMQL-OAQYLSRUSA-N 458.965 5.205 30 20 JKED Cc1ccsc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1816347928 JFONPLUMCATTCY-IBGZPJMESA-N 456.688 5.137 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[nH]n1 1817118371 BPVBDCABNUMYMO-FQEVSTJZSA-N 496.493 5.100 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccoc3C(F)(F)F)n[nH]2)c1 1818213448 RCRARQMLKITVSZ-AUUYWEPGSA-N 485.466 5.268 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2C(F)(F)F)n[nH]1 1818284246 PKIGLPWHQLTTAF-GOSISDBHSA-N 463.504 5.122 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(C)(C)C)s2)n[nH]1 1818341553 VSFTVRVMRZVMTO-SFHVURJKSA-N 458.628 5.057 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)o2)n[nH]1 1818426958 XZTLUEIUQPZNKS-QGZVFWFLSA-N 461.038 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccccc4n3C)n[nH]2)c1 1818441513 VKHVOYVEPPERPJ-KOSHJBKYSA-N 480.572 5.148 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)cc1 1818595420 CLRMCKSOJAPWHY-NRFANRHFSA-N 487.560 5.449 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818773202 FROWDEUDBTZUFG-QGZVFWFLSA-N 475.039 5.503 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)[nH]c12 1819024829 FVRVDIUNVUYNPT-CFGKVWFZSA-N 487.585 5.006 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[nH]n1 1819302213 AGFAHEKYCNRKOC-SRUXOGRHSA-N 450.558 5.113 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)[nH]n1 1819305941 RRABQDHVWBQLCO-DYESRHJHSA-N 463.607 5.402 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820220193 NSPHMSZFIXWAKB-NKSQBSFPSA-N 477.952 5.246 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCNC(=O)OC(C)(C)C)[nH]n1 1821929508 WDUNXLAOLVATPZ-PZJWPPBQSA-N 489.661 5.089 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1)C(F)(F)F 1821994072 QLSKUYCNMYUJLS-CQSZACIVSA-N 479.261 5.280 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(Br)cc2)n[nH]1 1822219012 XKTGASGOWJRFCW-SLZUCMDTSA-N 471.399 5.090 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[nH]n1 1822401301 JPQNXMSHPJTIAV-DHLKQENFSA-N 464.516 5.490 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n[nH]2)c1 1822575719 YKFLHRCFAMBZHA-ZJNJKDKRSA-N 467.573 5.146 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)[nH]n1 1822584037 XDJYTFADUYYCEV-RDGATRHJSA-N 452.574 5.174 30 20 JKED Cc1c(Cl)ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)c1Cl 1823141167 PJWGGYQPFQAMHC-KRWDZBQOSA-N 460.365 5.025 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(Cl)c1 1823187513 FSXPFAZBUNUVSJ-SBUREZEXSA-N 475.980 5.618 30 20 JKED CSc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1O 1823217553 MKVXLFRWCSHMQB-KKSFZXQISA-N 489.601 5.084 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1 1824054914 PIUZJAOYILVXMJ-MUUNZHRXSA-N 471.645 5.052 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1824139690 PDKDQOWVWKFLNO-QFIPXVFZSA-N 493.570 5.024 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1824500307 BFYFSGVZHHKLPW-JOCHJYFZSA-N 481.464 5.518 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1824545055 RYHJIWXXHQURNF-VQTJNVASSA-N 474.564 5.032 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)CC1 1824774316 RASYXWKJDAWKDW-MHZLTWQESA-N 459.634 5.165 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1)c1ccccc1 1825645181 DANCJBVTJBQDNM-DQEYMECFSA-N 489.685 5.451 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826779824 ZALSHDUEQYIBBC-RDPOUHODSA-N 489.704 5.753 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1828397190 KIOAMPACRNFAPW-MLCQCVOFSA-N 463.087 5.018 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(-c4nccs4)noc3c2)CC1 1828501307 BSEIEPXGPCVVFK-XMSQKQJNSA-N 492.645 5.397 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3cccc(OC)c3C2)CC1 1828829520 DDWVFEAUGJENBN-SLQPCKNISA-N 478.677 5.188 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828906551 SOLGYZYLSVSILR-AREMUKBSSA-N 495.715 5.591 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2noc3ccccc23)CC1)c1ccccc1 1829032424 JTJUTYFPLGGOAX-LEAFIULHSA-N 497.639 5.187 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1829098984 AEGJOBUFFPFNFY-VWLOTQADSA-N 475.658 5.201 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)ON=C(C)C)CC1)c1ccccc1 1830412874 YBKOJEDOWVVJIA-VNRZQXBUSA-N 469.670 5.237 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1830420401 ARMICRKITMZNGX-FIPFOOKPSA-N 491.676 5.501 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830493937 PARVRERMYBZXAO-ONWFOFBKSA-N 499.611 5.424 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Br)c2CC)CC1 1830688381 PMUJFDCGLHUOIL-QHCPKHFHSA-N 473.455 5.048 30 20 JKED CC(C)/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755627 LKWWRCRCYYZNGR-XYXUZSOXSA-N 461.528 5.023 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1830795276 MMGQWZMAAXKECI-HSZRJFAPSA-N 478.555 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3c(C)cccc23)CC1 1831007143 TZSGNYKZIADEBV-JOCHJYFZSA-N 450.627 5.097 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1831445999 QOOYNFPOUOEJRU-OAQYLSRUSA-N 475.967 5.333 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1831446113 DKSCVGFPBLEWOR-LEAFIULHSA-N 498.614 5.533 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1)C(F)(F)F 1831451436 UMCOMYCZDCUWBG-AUFJSOOLSA-N 466.569 5.339 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1)C(F)(F)F 1831455377 PDRBRBXTXDDTAL-JOCHJYFZSA-N 482.612 5.357 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1831846266 YKSUONOMBXMIGP-BXKMTCNYSA-N 472.601 5.183 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1831851396 AOKPFCNOYURCSB-DEOSSOPVSA-N 471.601 5.260 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)CC1 1831858231 IZPYXHQMYMNHQL-RUZDIDTESA-N 499.026 5.964 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)CC2)cc1C#N 1831979780 CTIDAJQOSXMPRS-WUFINQPMSA-N 499.655 5.309 30 20 JKED C[C@H](Cc1ccco1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832283645 GPFTZUJJTYHXFG-YZIHRLCOSA-N 461.606 5.019 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719598 HVUBJAJQCSYDFO-SFHVURJKSA-N 470.828 5.430 30 20 JKED CC1(C)CCC(CC(=O)N2CCC(OC3CCN(C(=O)CCc4cccc(C#N)c4)CC3)CC2)CC1 1836646577 XNKABACKDZZDCK-UHFFFAOYSA-N 493.692 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)CC1 1837259388 ZZKKIDLVWYINJI-MHZLTWQESA-N 489.660 5.371 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CSc3c(C)cccc3C)CC2)CC1 1838371294 DUZFYHZIWBZEHT-VWLOTQADSA-N 484.706 5.163 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(C)ccc2NC(=O)OC(C)(C)C)C1 1845559319 OVLZSFQUCZOGOQ-UHFFFAOYSA-N 469.626 5.151 30 20 JKED C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 9813308 UAVVZYITYWNKBE-OAUONFCTSA-N 450.318 5.150 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccccc1OC 10118181 OJOBPQUSWSQTST-UHFFFAOYSA-O 467.614 6.263 30 20 JKED O=C(/C(=C(/S)Nc1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1cccc([N+](=O)[O-])c1 10755813 DILRZYLDCINJOT-UHFFFAOYSA-O 484.960 5.605 30 20 JKED C=CCn1c(C)nnc1SCC(=O)Nc1cc(Cl)ccc1Oc1ccc(OCC)cc1 12055868 JOHNNLACUYEICU-UHFFFAOYSA-N 458.971 5.348 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ncc(-c4ccccc4F)o3)s2)cc1 14773096 JVKLLMOOMNEUGE-UHFFFAOYSA-N 465.535 5.067 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 15029192 OYUBHBWMSMYBMJ-UHFFFAOYSA-N 465.962 5.040 30 20 JKED N#CCC[C@H](C#N)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 15233741 PZIIITHZOBBNFL-GOSISDBHSA-N 476.656 5.764 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247962 ZRZJSZNZYUSKTG-UHFFFAOYSA-O 478.852 6.938 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1ccccc1Br 22731061 FXKHTRBKOVUMAI-UHFFFAOYSA-O 497.221 5.800 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccc(OC)cc1 23998259 VCUPKDYATNNIRI-IRXDYDNUSA-N 462.575 5.244 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)n1 24284633 CGDDBIZRCCNOBI-LBPRGKRZSA-N 472.517 6.099 30 20 JKED C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(C#N)cc1 26113980 NNRKFJANQWCLIB-KRWDZBQOSA-N 473.989 5.429 30 20 JKED COc1cc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)ccc1OCc1ccncc1 107995382 LEWSVPDBOOSWKE-HXUWFJFHSA-N 463.537 5.699 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 113145372 CKTYZGHTXNBRPQ-KRWDZBQOSA-N 467.356 5.544 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)o2)cc1OC 206404969 IRBNFOIUDIXDNY-YZLQOSHFSA-N 465.575 5.115 30 20 JKED N#C[C@H](C(=O)c1cccc(I)c1)c1nc(-c2ccc(Cl)cc2)cs1 247751547 SWGWRMKCNHSNNA-OAHLLOKOSA-N 464.715 5.558 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccncc1 255929857 ONAJKDIQEDFBRF-SFHVURJKSA-N 482.613 5.773 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 303000979 MWXXLIADNDVVEI-NRFANRHFSA-N 457.505 5.289 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)c1oc2ccccc2c1C 409473419 DJAOBPOMWBFBBJ-AWEZNQCLSA-N 457.324 5.030 30 20 JKED C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 482136719 UWHHIBDPSPEQSM-MRXNPFEDSA-N 487.610 5.499 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)cc1OC 498879901 KVBZJVBUKKAVDQ-UHFFFAOYSA-N 462.933 5.255 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3oc4ccccc4c3CSc3ncccn3)cc2)cc1 499456421 QFXOFCCEMAONTF-UHFFFAOYSA-N 478.533 6.431 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)c2)cc1 501431638 CBYFTDGFDAPAGK-UHFFFAOYSA-N 478.577 5.889 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)N(CCC#N)Cc4ccco4)sc3[nH]2)c1 502570403 PMTPXPKZMURYET-UHFFFAOYSA-N 492.626 5.351 30 20 JKED C=CCn1c(SCC(=O)c2ccc3c(c2)COC3)nc2scc(-c3cccs3)c2c1=O 506631091 NVVZHCYECGONJA-UHFFFAOYSA-N 466.609 5.378 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@H](C)c1ccc(C#N)cc1 509589174 TZFPBPDXZKVZQJ-MRXNPFEDSA-N 480.362 5.318 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510021990 AKTGJUSBLDZATF-OXJNMPFZSA-N 460.990 6.830 30 20 JKED C=CCN(C(=O)Cc1csc(Cc2ccccc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512171423 QCJQCXQYTJZMTN-UHFFFAOYSA-N 476.583 5.527 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3csc(-c4ccc(Cl)s4)n3)c2)c1 512793178 QIJFWCYSVHXPFX-UHFFFAOYSA-N 478.986 5.830 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)cc1 513935312 GPGAVPLLCGNIIQ-UHFFFAOYSA-N 495.558 5.316 30 20 JKED Cc1csc(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)n1 513976929 HSLQCTWOWJKUFO-UHFFFAOYSA-N 456.546 6.364 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 514029449 RBVDPSZRAJGFBF-UHFFFAOYSA-N 493.361 5.261 30 20 JKED CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1Cl 515916680 FKYLQOPNPUXRFY-JOCHJYFZSA-N 497.382 5.015 30 20 JKED C=CCN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 516072379 JFNUXEHAPAKNRX-UHFFFAOYSA-N 485.407 5.303 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2c(s1)CCCC2 516073420 ULLURJDDGQSUOD-INIZCTEOSA-N 478.445 5.400 30 20 JKED Cc1ccc(C[C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)c1 517907654 KWFXOTATKSGCIJ-FQEVSTJZSA-N 457.599 5.267 30 20 JKED C[C@@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 517931794 VYHRLJFABIWNHD-SECBINFHSA-N 473.776 5.472 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Br 519426598 VDRBQNFLLYBRSK-CYBMUJFWSA-N 453.789 5.762 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl 519433759 CACDOBGJRYPQQY-MRXNPFEDSA-N 453.011 6.463 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 521142310 BIIWBXIMMVXQHJ-UHFFFAOYSA-N 482.005 5.311 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(OCc5cccc(C#N)c5)cc4)nc(O)c23)C1 524412315 ZYPJSXOXHPKDNQ-KRWDZBQOSA-N 498.608 5.544 30 20 JKED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1[C@@H](C)c1cccs1 588158910 ARFVPDHVKMBIBO-KRWDZBQOSA-N 490.675 5.037 30 20 JKED N#C[C@H](C(=O)c1csc(Cc2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 589019461 SKZQEAAHTZZZNI-CQSZACIVSA-N 461.465 5.992 30 20 JKED COc1ccc(-c2ccc(C(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c(F)c2)c(F)c1 593039767 QLLDYOCDMYKYSY-STQMWFEESA-N 467.356 5.843 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 603738479 IOEWSTFHJIQALN-UHFFFAOYSA-N 490.441 6.512 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 603738480 IPBZBBHWQRUNQD-UHFFFAOYSA-N 489.535 5.841 30 20 JKED N#C[C@H](Cc1ccccc1)Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 604071628 NQRSNBGXCOKHBT-FQEVSTJZSA-N 462.376 5.319 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604234775 WKBPGQRVZNTISX-UHFFFAOYSA-N 462.513 5.130 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)cn2)cc1 604241736 KPBGKVRANFIJKP-UHFFFAOYSA-N 458.477 6.320 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 608995782 ZKQVKUMLUKBVCW-RUZDIDTESA-N 496.394 6.244 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 609077562 FBDSKHNEKPXBFA-UHFFFAOYSA-N 488.758 5.466 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1Cl 609164852 YMRVNEPWIHGTGX-AHWVRZQESA-N 495.966 5.794 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)cn2)c1 609254726 GSTXVJQGZPZXSV-XMMPIXPASA-N 474.948 5.385 30 20 JKED N#CCN1CCC(NC(=O)NC[C@@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 609339921 UVCSRTNTNHQWAT-SANMLTNESA-N 477.612 5.254 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1 609427465 AMLIURODRGYLQJ-IBGZPJMESA-N 464.612 5.616 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609435232 ZRKUSOSQBPAYHA-QZTJIDSGSA-N 476.577 6.355 30 20 JKED C=CCN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 611778008 YQJUDGKESHLIQN-HZPDHXFCSA-N 472.554 5.101 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cn5ccccc5n4)c3)n2)cc1 613318013 FGQJBKPWGFOWKF-QHCPKHFHSA-N 464.550 5.835 30 20 JKED C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1nc2ccccc2n1C(F)F 618549755 YSAUCVHOHVIOFN-DCAQKATOSA-N 458.353 5.265 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCc1ccco1)c1nc(-c2c(F)cccc2F)cs1 620304588 QAOXOLCTSYJYSM-MRXNPFEDSA-N 452.507 6.464 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)nnc1-c1cccnc1 639480081 BNLOZDSCEUHWJP-GOSISDBHSA-N 461.513 5.300 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)CCCC(=O)N2)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281691 OZFWAGHYZYPZMF-INIZCTEOSA-N 456.354 5.882 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCC(C)C)cn1 726117058 QKRBEVFNSWZSOP-IBGZPJMESA-N 495.571 5.318 30 20 JKED C[C@@H](OC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 726221960 XGNSKHLREQAZKI-MXJLDLDKSA-N 485.540 5.228 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 726321829 NOYSPACWZWATJH-LJQANCHMSA-N 452.967 5.414 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C#N)c(Cl)c2)n1 726405476 FKROJEFOHQKIPE-JOCHJYFZSA-N 489.988 5.076 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCCC2)cc1F 726413044 VQMINJMODUJFFN-JOCHJYFZSA-N 469.582 5.354 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccccn2)cc1 726415322 JVONQGTWGWVZDB-QHCPKHFHSA-N 492.576 5.168 30 20 JKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 727038784 PBXTXTFVRLEZKM-HNNXBMFYSA-N 474.394 6.561 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 727481126 SRSWQFZYNRLIRD-AREMUKBSSA-N 473.646 5.271 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 728119142 IZRHLXZOEKVQOO-VWLOTQADSA-N 471.557 5.364 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 728238790 JXRQPBRMWIPYKO-QHCPKHFHSA-N 463.459 5.740 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1Cl 728778086 PYGJCGNCPQNOPU-QHCPKHFHSA-N 491.016 6.147 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ncccc2C)c1 729630797 AGYHXFIWOPCMQZ-JOCHJYFZSA-N 480.540 5.137 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)cc1 730715101 BOFQWSKECWWOQQ-XMMPIXPASA-N 490.629 5.795 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730943952 NZPQMIFVZQFLHZ-YADARESESA-N 488.613 5.429 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304655 ZCPQAZOMWFTIEU-HSZRJFAPSA-N 472.570 5.200 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2)cc1Cl 731312659 QHQFPLYEOBQVLN-JOCHJYFZSA-N 495.988 5.215 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cc2ccccc2o1 731312851 QLSWGURMEMYBHO-DEOSSOPVSA-N 496.548 5.171 30 20 JKED N#CCCn1cc(C(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)c2ccccc21 742791263 KLNYUZSEVOMQLA-UHFFFAOYSA-N 480.611 5.229 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(OC)cc2)n(-c2ccccc2)c1=S 746050582 ROGOEUQBPKKHCP-UHFFFAOYSA-N 485.613 5.057 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)cc1 747598678 CRZJSZBFNBKIKE-FQEVSTJZSA-N 485.034 5.574 30 20 JKED COc1cc(C#N)ccc1OCC(=O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 755137958 CZFGSPDZLZGRQR-UHFFFAOYSA-N 458.514 5.101 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2cccc(C)c2)N=C1C 798149144 YZXZQTFHEKQDTA-UHFFFAOYSA-O 474.528 5.619 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)n1 809598660 FUTWXTWDTOPOMT-OAHLLOKOSA-N 458.490 5.373 30 20 JKED C[C@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 813320233 PLKCLHOOMQXSPY-HNNXBMFYSA-N 456.889 5.006 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 837285626 ODDDVHRDRLPVBT-CJAUYULYSA-N 498.583 6.095 30 20 JKED COc1ccc(-c2nc(Cc3noc(-c4cc(C)n(-c5ccc(C#N)cc5)c4C)n3)co2)cc1 904332644 SXLHYJPTDFHBKY-UHFFFAOYSA-N 451.486 5.270 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(OCc3cccnc3)cc2)no1 904468520 BPRCSTQYHHJGBE-IBGZPJMESA-N 456.930 5.419 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2cccs2)cc1 914694634 PZRANEJRGAETMR-OPAMFIHVSA-N 497.617 5.487 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC(F)F 915354318 ZTGMUHWKKHMBOZ-OAQYLSRUSA-N 451.473 5.616 30 20 JKED FC(F)Oc1ccc(Cl)cc1C=Nn1c(S)nnc1-c1cccc(Br)c1 915954563 ZXQRTIYBLHNKGX-UHFFFAOYSA-N 459.703 5.133 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)cc1 916213091 YKRFBVZPGZCFDX-XMMPIXPASA-N 472.614 5.210 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=Nn1c(S)nnc1SCc1ccccc1 916368281 ANTPTLKJOCXDQE-UHFFFAOYSA-N 473.002 5.087 30 20 JKED N#CCOc1cccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc4c(c2)OCO4)CC3)c1 916411503 ZADNTGOZBHPJPJ-XMHGGMMESA-N 475.504 5.605 30 20 JKED N#C[C@H](C(=O)CCCOc1cccc(Br)c1)c1nc(O)c2c3c(sc2n1)CCCC3 916654326 XWAKOGKVXUCVAJ-MRXNPFEDSA-N 486.391 5.074 30 20 JKED CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 916684016 SAHQPMKKCPMTBQ-FQEVSTJZSA-N 454.958 5.080 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)CC1 916696393 HBBIASNSXNSJQK-GOSISDBHSA-N 475.445 5.588 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(SC(F)F)cc1 916886614 HRVOMMGPGGYBCY-RNOHYWCBSA-N 456.392 5.261 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc2cc(C(F)(F)F)ccc2s1 917042275 AILTYLGSVBMDNT-OAHLLOKOSA-N 490.894 6.218 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1OCc1ccccc1Cl 917507546 ZRYJVDBEBKLKHL-IBGZPJMESA-N 478.932 5.246 30 20 JKED COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 917567622 KBQORDQXJXONSJ-UHFFFAOYSA-N 467.481 5.243 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(Cl)c(Cl)c1 917613735 RPJLPVXOJUKGNL-UHFFFAOYSA-O 455.390 6.038 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC(F)(F)F)C(C)C)ccc1Cl 917673172 VMFOTLNQTGHIFN-UHFFFAOYSA-N 474.932 5.134 30 20 JKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(N2CCCS2(=O)=O)ccc1F 917868427 OCWKFYULCZBPKD-GORDUTHDSA-N 496.404 5.055 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 919400038 KMQHWTZSDDQLHW-UHFFFAOYSA-N 475.570 5.227 30 20 JKED CC(=O)N(c1nc(COC(=O)CNc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl 919625561 WICKNPLIKLLLKS-UHFFFAOYSA-N 468.966 5.125 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H]2c2cccc3ccccc23)c1=S 919950027 DQVUSUPCBURVCG-RUZDIDTESA-N 461.679 5.576 30 20 JKED Fc1ccccc1COc1cccc(C=Nn2c(S)nnc2SCc2ccccc2)c1 920367823 BKUXIUPELXGOGZ-UHFFFAOYSA-N 450.564 5.459 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 920869996 RAZMASQTTQYZRP-UZLBHIALSA-N 493.551 5.257 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)[C@H]3CCOC3)c2C#N)C(C)(C)C1 921216853 YKDJSUDMGIZJKF-BDUNBXCCSA-N 482.627 5.286 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)COc1ccc(C2SCCCS2)cc1 921233752 CHXLRNQWFCMHCQ-UHFFFAOYSA-N 460.646 5.206 30 20 JKED CC#CC[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1CCC(C)(C)CC1)C2)c1ccccc1 1779480933 YHSRFSLWXCWDIC-MMXANPLTSA-N 492.704 5.304 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc([N+](=O)[O-])c4)cc3)CCC2)c1 1785794733 CGTFGGXMBRARAD-LJQANCHMSA-N 482.540 5.212 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)cc2)CCC1)C(F)(F)F 1786334215 YRYYNHGVTBQNEW-LEWJYISDSA-N 458.480 5.051 30 20 JKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CC3)cc2)CCC1 1787880627 DADJBNOSRRQOPE-UHFFFAOYSA-N 474.561 5.085 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Cl)ccn34)cc2)CCC1 1788384404 HWWHCJHAAAPXII-UHFFFAOYSA-N 464.997 5.728 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3Cl)cc2)CCC1 1788480267 QMSSPFKBQUTCLL-UHFFFAOYSA-N 458.896 5.127 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)no2)cc1 1788682849 GSNBUWQHBGFMFR-UHFFFAOYSA-N 492.535 5.283 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)CCc5cccc(C#N)c5)CCC4)cc3)[nH]c2c1 1788972483 ZUMUUGGCBPDCMU-UHFFFAOYSA-N 492.579 5.429 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)C4(F)CCCCC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1789162034 XVTAMFAEFAGSQQ-QFIPXVFZSA-N 499.627 5.359 30 20 JKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)C#CC5(O)CCCCC5)cc4)CCC3)c2s1 1789538948 YISWGRDNLWUVTO-UHFFFAOYSA-N 487.625 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)s4)cc3)CCC2)c1 1789862741 BMKPEDNGMIEVFX-OAHLLOKOSA-N 464.978 5.485 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1790564663 KSIXQHSUFHXJOQ-DOSFMOCYSA-N 488.632 5.299 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc1Cl 1790611291 JHQMXSOJVRIBFT-UHFFFAOYSA-N 476.964 5.388 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc(C4CC4)cc3)cc2)CCC1 1790784384 JBSZBLGBXDVZQZ-UHFFFAOYSA-N 465.553 5.262 30 20 JKED CCc1[nH]nc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)c1F 1790785331 GOVJLLMTHOTHON-UHFFFAOYSA-N 499.468 5.063 30 20 JKED CO[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(C#N)c3)cc2)CCC1)c1ccccc1 1790796780 INFVGZGZQKDVNE-RUZDIDTESA-N 453.542 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccn4c(C)cc(C)nc34)cc2)CCC1 1791003285 KQUIAYHJWDOSCX-HSZRJFAPSA-N 456.590 5.467 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791516210 YGSZDMOVMHKDMD-IRLDBZIGSA-N 491.698 5.014 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)CCC2)cc1 1791584355 ZZZPWPVVQPIINW-UHFFFAOYSA-N 479.020 5.326 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)ccc1[N+](=O)[O-] 1792165959 UEGQUTFIUXFPPX-GOSISDBHSA-N 498.539 5.292 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 1802229137 MLHMZUMTKOUZJN-LRSLUSHPSA-N 460.540 5.144 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1803084517 RAWPHVDILAYFQS-QFQXNSOFSA-N 489.019 5.371 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccccc4)CCCC2)C3)c1 1803675828 KUDHTGBKTPTHLK-JTMVAAEOSA-N 455.602 5.077 30 20 JKED CCOc1c(F)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)cc1Cl 1803684775 OCYZDBNWIBEDQL-HUJKARHJSA-N 483.971 5.070 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)C1 1805450420 GOCNWQZNMKGLGV-UHFFFAOYSA-N 463.597 5.434 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)COc3cccc4ccccc34)C2)CC1 1806667691 IEQRDQQDWXBINH-XMMPIXPASA-N 460.618 5.218 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cccc(Cc4cccc(F)c4)c3)CC2)C1 1806681744 NURZLZURSCQOQO-UHFFFAOYSA-N 480.649 5.181 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)ncc3Cl)C2)CC1 1807290607 RCTZDARBMKGXRD-UHFFFAOYSA-N 496.877 5.335 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1808742920 LFVBZGWWBNASPD-BXTSTYNKSA-N 480.612 5.232 30 20 JKED C=C1CC(C(=O)N2CCC3(CCCN(C(=O)c4cccnc4-c4cccc(C(F)(F)F)c4)C3)CC2)C1 1810387823 XMOLHBAWRDSGSG-UHFFFAOYSA-N 497.561 5.578 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2F)[C@@H]1c1cccnc1)c1ccccc1 1810444873 VRAZLLCJPXVFJU-PNIUZAESSA-N 483.587 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810953793 REQGMZWMWXXBOV-PGRDOPGGSA-N 491.529 5.552 30 20 JKED O=C(NC[C@H]1CCN(C(=O)[C@H]2CC=CCC2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811252852 ZMUYRHKBZZDPND-SHSRKSKBSA-N 489.619 5.157 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@@H]1c1cccnc1 1812054285 IHEHEEQVCWFAOY-UHORWHLBSA-N 489.566 5.559 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1812438047 FQDPOJRGTWCZSZ-TZBSWOFLSA-N 480.052 5.463 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)[C@H]1c1cccnc1 1812589724 CDEWRUGQRLUNCD-WJPUGNRLSA-N 495.929 5.165 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1 1813865587 GYDQSAHTYXIACQ-LVWCUCSXSA-N 488.591 5.495 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1F 1815160942 TUQCRXQCJPNSCU-CLOONOSVSA-N 487.579 5.423 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CSc3ccccc3)n[nH]2)c1 1816952993 GFRNFOMDKQBGDH-JPYJTQIMSA-N 473.602 5.135 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)[nH]n2)c1 1817738621 DPSJAXGADKTHMQ-LADGPHEKSA-N 477.634 5.040 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818813273 QXHOVNFQMFXZCX-VYENPZKTSA-N 454.477 5.073 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818813517 AZMPSHFOFCYPRX-LJNLZICSSA-N 493.567 5.802 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4cccc(Cl)c34)n[nH]2)c1 1819224916 WLWRAFJXXLTMDS-OAQYLSRUSA-N 472.936 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)[nH]n1 1819309381 UEZRTBJOHDIAIO-ILBGXUMGSA-N 475.637 5.474 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1819368902 GFHQNHPTRZQEDI-IAGOWNOFSA-N 499.826 5.249 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820149282 OJSAFZXNIGQFIF-RDPSFJRHSA-N 481.600 5.848 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)[nH]n2)cc1 1820544214 AVDQUKNIMKHXBV-JOCHJYFZSA-N 472.936 5.036 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823662 MIZGWVWJIYMXGH-XXBNENTESA-N 492.023 5.460 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3ccc(OC)cc23)n[nH]1 1820965252 COGHNZVXYMELML-LUFJGRFYSA-N 489.620 5.598 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCC(F)(F)C3)[nH]n2)cc(C(F)(F)F)c1 1821308686 ZVJHOEUPTSUXTM-KBXCAEBGSA-N 495.452 5.041 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccc(Br)cc3c2C)n[nH]1 1821612640 YZYARDPGOIYRLR-JLTOFOAXSA-N 498.425 5.480 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC#N)[nH]n1)c1ccccc1 1821757454 PTRHMRBLCMSHOA-IGKIAQTJSA-N 492.668 5.061 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821857519 ZUVSWUDDPHHEFS-XUZZJYLKSA-N 455.002 5.299 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2Br)n[nH]1 1821870844 YMDBJLIUCWINNE-AUUYWEPGSA-N 493.833 5.273 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CSc3ccccc3)[nH]n2)c1 1823210347 AEELSKLDRRWMMC-JPYJTQIMSA-N 473.602 5.135 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823313313 ZATNILVLABSUDF-CXAGYDPISA-N 479.806 5.344 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)[nH]n2)CCC1 1823379055 WTLPTSKHTQMHJF-XMMPIXPASA-N 492.583 5.329 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1825097420 WYIWJVUCKGVBRW-IGKIAQTJSA-N 461.650 5.407 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccs3)CC2)c1Cl 1825311862 BNCCSBQKEGDAOC-QFIPXVFZSA-N 470.038 5.139 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826779823 ZALSHDUEQYIBBC-QOEIGGFQSA-N 489.704 5.753 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826780018 BQHQRQZYKRKYHB-KZZMTEEBSA-N 491.720 5.977 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1)c1cccs1 1827682777 LEPPWSZEWSHBLZ-YVSHKSEASA-N 493.604 5.041 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)Cc4ccc(F)c(C#N)c4)CC3)ccc2c1 1828086738 APVGBUYWRJDWJW-MUUNZHRXSA-N 498.602 5.030 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1828419795 RFGDLVADSXZLNZ-RCZVLFRGSA-N 475.555 5.018 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c1 1828677451 NMPQNEAJJYFGAR-VWLOTQADSA-N 486.641 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 1828826603 IWVXKPFJOBVMEP-FGZHOGPDSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2Br)CC1 1828828740 RQXRGJMQPMTMSM-QUCCMNQESA-N 463.416 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1828830426 VKQQSNJLOJCWGZ-AZGAKELHSA-N 482.640 5.616 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c1 1829446682 XLFMWWNGKNZOEA-VGSWGCGISA-N 470.038 5.576 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cc4cccc(F)c4)c3)CC2)c1 1829781503 VFSXIBRLLBMKRU-MUUNZHRXSA-N 498.602 5.163 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(C)C)cc3)CC2)c1 1830057829 XDWKXXGTKVXJRI-HHHXNRCGSA-N 473.617 5.237 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@](C)(OC)c3cccc4ccccc34)CC2)C1 1830158925 DDNKETGQOBYYCI-POURPWNDSA-N 474.645 5.287 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)CC1 1830379630 VLMBEXIJCPAOGD-RRPNLBNLSA-N 496.692 5.415 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1830417120 RPGLOUNBIJTNCG-HTAPYJJXSA-N 474.001 5.120 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1830447922 UFBTYKNLIAHHOW-MUUNZHRXSA-N 496.586 5.306 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCCCC3)CC2)cc(C(F)(F)F)c1 1830754613 CWGYKIIUVLLGLA-HSZRJFAPSA-N 475.555 5.391 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1830770818 HUBAHYWYMKYIJV-GDLZYMKVSA-N 492.623 5.476 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830778076 VMAIVDTUILQBLC-UQBPGWFLSA-N 479.571 5.447 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1831444516 MVQSDMCHLXRZLN-FQEVSTJZSA-N 472.498 5.079 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccccc2F)CC1)c1ccccc1 1831557028 MVOPBVFOMKDIHR-AHKZPQOWSA-N 490.619 5.021 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCC3)CC2)cc1C#N 1832702921 PMERWJHNCXMIET-VWLOTQADSA-N 465.638 5.159 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)cc1C#N 1832704596 OPBTWAVHBALIBE-WXVAWEFUSA-N 487.644 5.382 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)CC1 1836697557 KUXOPELODCHIFE-UHFFFAOYSA-N 496.051 5.269 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CCc2ccc(Cl)cc2Cl)C3)c1 1846830808 ZFKHVLGINJUCNP-KRWDZBQOSA-N 470.400 5.070 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2C(=O)c2cccs2)n(-c2ccccc2)c1C 10319842 DGAVLGZTWHQHDA-UHFFFAOYSA-N 483.549 5.054 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cccc(Cl)c2C)cc1 11257895 HQRASHZPUBBRBN-UHFFFAOYSA-O 452.043 6.474 30 20 JKED N#Cc1ccc(F)c(CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)c1 12136753 UMJAXZTXHPDBQZ-UHFFFAOYSA-N 475.515 5.575 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2cccc(C)c2)c1 14872033 BPFXSTBUTWKKQW-UHFFFAOYSA-O 454.413 5.658 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC 15644146 YMJVDWOMUJQOLD-YIXXDRMTSA-N 469.541 5.007 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 21644693 ZFEYYFCLVUWMOA-LJQANCHMSA-N 487.585 5.022 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccc(CC)cc2)cc1 22690271 COMCCNVLYPAPOS-UHFFFAOYSA-O 487.617 6.301 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 22732857 SUMHVHRJVGVTHJ-UHFFFAOYSA-O 483.013 6.074 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)NCCc1ccccc1 22734849 KGTAYBXCBSQTTO-UHFFFAOYSA-O 458.434 5.614 30 20 JKED C[C@@H](c1ccccc1)n1c(SC[C@H](C#N)CCC#N)nc2ccc(Br)cc2c1=O 24097062 UVWCKNHMJJWYTB-HOTGVXAUSA-N 467.392 5.304 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 25105055 IRUGUBKPPKUVMV-UHFFFAOYSA-N 452.358 5.054 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nc2sc(C)c(C)c2c1=O 28380903 KUQGTAMKEVEFJO-UHFFFAOYSA-N 467.588 5.306 30 20 JKED C=CCN(CC(=O)Nc1c(Br)cc(C)cc1Br)Cc1ccc(OC)cc1 68728298 XZIVUIVTHXAGOT-UHFFFAOYSA-N 482.216 5.155 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(NC(=O)c2ccco2)cc1C 106114714 RPDRCGQBYQLFCJ-UHFFFAOYSA-N 458.499 5.522 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(N4CCCC4)s3)c2C#N)C1 108756921 GFONWLVZQLYWJM-AWEZNQCLSA-N 475.709 5.343 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)o1 110599538 MTBSDUKQFIVIOI-UHFFFAOYSA-N 467.453 5.707 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1 195664238 HUMUOAFFKQCUSQ-KRWDZBQOSA-N 453.976 5.713 30 20 JKED CC(=O)Nc1cccc(Nc2nnc(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)s2)c1 213265829 UXVAMOYIOLQKDJ-FYJGNVAPSA-N 479.631 5.213 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1 255067031 GMZDVOWUVWZYEG-OAQYLSRUSA-N 469.513 5.335 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@](C)(C#N)C(C)C)c1 302222142 MYFDKINKVRWCHM-QFIPXVFZSA-N 480.417 5.043 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 302992312 MQIQXQJMYJBEEH-UHFFFAOYSA-N 473.533 5.626 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)cc1 302996040 YLSQKWMKFUPQOA-UHFFFAOYSA-N 450.542 5.794 30 20 JKED Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)cc1 303354059 FUTYPCKYOGQCIX-FQEVSTJZSA-N 474.369 5.097 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CC2)c1 409521151 LTGLNPYOJRVYOU-VWLOTQADSA-N 472.976 5.361 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 491516284 UXHMUWKPLGSQBX-UHFFFAOYSA-N 471.633 5.309 30 20 JKED CCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)nn1-c1ccccc1Cl 499190338 KUFBUUMVBNIUHQ-INIZCTEOSA-N 463.950 5.105 30 20 JKED Cc1cc(NC(=O)CNC(=O)c2ccccc2Sc2ccccc2C#N)ccc1Br 499661082 NOCZDMRMUJWQTI-UHFFFAOYSA-N 480.387 5.149 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1 503348846 VPGXEZAUGJVPHU-UHFFFAOYSA-N 465.847 5.775 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1 503592074 XBGOXYSLUTWQMD-GOSISDBHSA-N 459.521 5.022 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCCO3)nnc1-c1ccc(Cl)cc1Cl 505979180 MQPYZEUEDXVUOI-UHFFFAOYSA-N 475.401 5.494 30 20 JKED C[C@@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1Oc1ccccc1 506182222 DPPUUNDBIKVEBQ-LJQANCHMSA-N 481.512 5.655 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCC(NC(=O)C2CCCC2)CC1 509003957 YZAXTNAUWHNSBT-UHFFFAOYSA-N 461.581 5.404 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)c1 509942772 KRHIVXUFROBHIF-HXUWFJFHSA-N 488.563 5.196 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510227761 AULYHABUUCOKMO-NRFANRHFSA-N 479.631 5.860 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 511048257 OBYIKYYVSSJFST-UHFFFAOYSA-N 496.055 5.212 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1 511339362 VXFFSBLBESILBU-HSZRJFAPSA-N 461.587 5.606 30 20 JKED COc1ccc2cc(CN(C)C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)ccc2c1 511529406 QCNXTCXPWHIKFU-UHFFFAOYSA-N 464.525 5.636 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513677063 PPPJVEPNBQPVBM-OAHLLOKOSA-N 481.002 5.851 30 20 JKED CCOc1ccc([C@H](CNC(=O)c2cccc(CC#N)c2)c2c[nH]c3ccccc23)cc1OC 514431316 DEQJEXCPEGWLJN-QHCPKHFHSA-N 453.542 5.203 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)c1nc2ccccc2o1 515597287 HEZIAYVUEFITBT-KRWDZBQOSA-N 461.403 5.313 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 516821328 SFBSYBQUNWUFLK-UHFFFAOYSA-N 472.854 5.533 30 20 JKED N#CCCn1cc(C(=O)NCc2ccccc2Oc2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 518143430 KUVVJSSVJVREFD-UHFFFAOYSA-N 485.475 5.233 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 519064012 BUSNFRHCPCIQAR-LJQANCHMSA-N 456.546 5.272 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2ccccc2c1CSc1ncccn1 520125402 GFNCRPHKVNIZLI-UHFFFAOYSA-N 493.548 6.135 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1cscn1)c1nc(-c2c(F)cccc2F)cs1 521264160 YAAFDGBQJHCQIF-HNNXBMFYSA-N 453.495 5.614 30 20 JKED C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 521516220 GBUCATDCWQOVLS-GDLZYMKVSA-N 481.621 5.738 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc(OCC)c2)nnc1-c1ccc(Cl)cc1 521729914 YJKQRNIUUMZMPJ-MRXNPFEDSA-N 456.999 5.153 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 522474329 QEZIPKDBRCSSJE-INIZCTEOSA-N 472.476 6.090 30 20 JKED C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 524278244 JRYSORVPNWVHMZ-NSHDSACASA-N 465.387 5.415 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(Cc2ccc(F)cc2)CC1 586792086 FWGLJADSQINZAM-VQFNDLOPSA-N 454.430 5.699 30 20 JKED C=C1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 595462691 UQYPLBHNFITTHX-JOCHJYFZSA-N 471.388 5.386 30 20 JKED Cc1nc(COc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2)no1 603759102 UJISOQFWOFMAAF-JOCHJYFZSA-N 458.905 5.518 30 20 JKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)CC3 603829755 RBMMTZUTHPLLGQ-UHFFFAOYSA-N 460.588 5.082 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604027151 JSXBMZXGKCAAKB-UHFFFAOYSA-N 477.929 6.472 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc2ccccc2c1C(F)(F)F 609060916 HIEUMINNFRYUJX-UHFFFAOYSA-N 461.443 6.265 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)cc2)c1 609064163 XEUASRXUEMAWHR-NDEPHWFRSA-N 489.531 5.332 30 20 JKED CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609176554 QJLUWBLGPOZMSY-AREMUKBSSA-N 496.592 5.389 30 20 JKED CCC(CC)CN(CCC#N)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 609188347 MZGJIVPESYAJNX-UHFFFAOYSA-N 475.593 5.242 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)CC2)c1 609206935 BQARQZYHTGLYKR-UHFFFAOYSA-N 480.996 5.349 30 20 JKED CCCN(C(=O)c1cc2ccccc2n1CC#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 609215568 NMKMJJPVDSDPLA-UHFFFAOYSA-N 469.397 6.652 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(Br)cc1 619153941 HRHPQGFYZQNRCN-AWEZNQCLSA-N 475.387 5.460 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2cc(Br)ccc2OC)c1=S 725778276 QQHGZSWTYOGRNP-LJQANCHMSA-N 486.439 5.228 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 726110977 IXSHNHFXDDWWBS-VFNWGFHPSA-N 499.637 5.442 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc(-c2c(F)cccc2F)cs1 726329964 VXIWKIKARFKSET-BDVYOWHSSA-N 457.546 5.130 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 726392479 HBHCBXLLLDGLLW-BEFAXECRSA-N 493.601 5.387 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726405256 CYKQXIDZFBWVQG-OPAMFIHVSA-N 499.036 5.071 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3cc(C)on3)C2=O)c1 726420248 HWWHHDSTTVOLDQ-OVUCDXDKSA-N 482.631 5.251 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)c1 726887356 ZZPIRVMGKZFSGI-QHCPKHFHSA-N 481.618 5.224 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2)cc1 727629214 PIWGKOYHJGBIIF-AREMUKBSSA-N 478.548 5.782 30 20 JKED COc1ccc(-c2nc(COC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cs2)c(OC)c1 728107946 ADHCJXVAPBETQI-UHFFFAOYSA-N 476.510 5.228 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 728126466 MHGGBTFHDFIXSI-HDICACEKSA-N 474.527 5.633 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 728412317 ULWUDOADUXJNPK-NRFANRHFSA-N 471.479 5.136 30 20 JKED COc1cc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC(=O)O 728438647 JNQXMQPILFOQOA-GDNBJRDFSA-N 455.919 5.148 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(CCCCC#N)C1=O 728777984 NLPVQLVCTMMKBE-HLFZHWTISA-N 489.066 5.794 30 20 JKED N#Cc1ccc(OC2CCN(Cn3nc(SCc4ccc(F)cc4)sc3=S)CC2)cc1 728903659 SGLAKJZEXMBQDX-UHFFFAOYSA-N 472.636 5.478 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H](c1ccc(Cl)cc1)C1CCC1 729144934 HDHLLHYGODIHBW-ISKFKSNPSA-N 493.032 5.353 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 729564564 DOWHLZNBPZKAKW-PXDATVDWSA-N 490.604 5.994 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ncccc2C)c1 729634575 OMPZOZKCFHDEKO-DEOSSOPVSA-N 488.613 5.122 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729784363 JDRXYNAGMIJGBQ-UHFFFAOYSA-N 477.483 5.206 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730459108 GXPDHHHMETXYIY-QFIPXVFZSA-N 497.542 6.371 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1Cl 730708239 CCUCFZUYUQBSKR-QGZVFWFLSA-N 493.347 5.281 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cocn2)C1=O)Nc1ccccc1F 730711132 ZHOOJZIYOUUUMC-JOCHJYFZSA-N 474.517 5.127 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2ccccc2c1 730726297 ZATMSGMTEZVVBI-FDDCHVKYSA-N 499.596 5.204 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730944242 ULUVJVOTCJSCFL-JTSKRJEESA-N 462.550 5.251 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 731030990 NSSDGYUVBPPKJB-HJNYFJLDSA-N 486.682 5.131 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 731076203 ZKQDAKZWNDPWEF-HXUWFJFHSA-N 496.592 5.587 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Br)c1 731077801 PIOMMQRSQJPPID-HNNXBMFYSA-N 475.408 5.303 30 20 JKED N#C[C@H](C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 731136294 PIQCIDKIGVZALI-OAHLLOKOSA-N 497.823 5.143 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1cccs1 731310639 MIJXXYCASIAGAN-VGOFRKELSA-N 479.627 5.354 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(CN2CCCCC2)n(-c2ccc(F)cc2)c1=S 746033064 MEZICGTVUXRLMF-UHFFFAOYSA-N 478.641 5.268 30 20 JKED Cn1ccnc1[C@@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 759074959 BSVANCZQWXXOCO-VOFKWLDRSA-N 471.376 5.516 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)cc1 799220207 BFFWDADXAZGUIU-QGZVFWFLSA-N 471.451 5.050 30 20 JKED O=C(NCC#Cc1ccccc1)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 818078198 IUIUIEKVVJNLCL-UHFFFAOYSA-N 493.799 5.229 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1csc(Br)c1 914554986 DMNNJGHLTDTQEE-UHFFFAOYSA-N 464.197 5.159 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)c(F)c2)c(C)s1 914690572 ZMQFULDKUYAWHL-VLIAUNLRSA-N 459.612 5.174 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5c4ccc(Cl)c5Cl)c23)cc1 914693893 SZHHBXXNRMANMY-UHFFFAOYSA-N 470.341 5.442 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1 914772657 JPDZWYJSHCGJQH-QHCPKHFHSA-N 477.561 5.133 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)c1 916207911 OQMDZRQMIIGBQP-LJQANCHMSA-N 463.525 5.630 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(Cl)c1 916213764 HABKUMTVHLPPOO-OAQYLSRUSA-N 467.978 5.100 30 20 JKED O=C(Oc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1 916546056 CSKGWBBMBPBVFK-UHFFFAOYSA-N 493.932 5.233 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)[C@H]1c1ccccc1OC 916849598 YFWRVNPJSCFDGO-BCQCSXDESA-N 455.558 5.200 30 20 JKED N#C[C@H](C(=O)COc1ccc(Br)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916887034 LRUBRDAGFUBPRJ-CYBMUJFWSA-N 489.725 5.144 30 20 JKED N#C[C@@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 916904898 KDKQVTQTWLJNEX-KRWDZBQOSA-N 492.507 5.491 30 20 JKED CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977013 ZWNFPRDDMAQUFU-FPOVZHCZSA-N 466.994 5.164 30 20 JKED C=CCn1c(SCc2c(C)nn(Cc3ccccc3)c2Cl)nnc1-c1ccccc1OC 917184217 MRKKYQALOCAHHB-UHFFFAOYSA-N 466.010 5.639 30 20 JKED O=C1Nc2ccccc2C12CCC(=NNc1ncnc3scc(-c4ccc(F)cc4)c13)CC2 917543393 IJJWCAJTWUBDRJ-UHFFFAOYSA-N 457.534 5.729 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O)Nc1ccccc1F 917700871 KHLNTOMEHCNWLC-XMMPIXPASA-N 484.556 5.534 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)CC1=O 920141887 NBIWTPHTKZLPEF-XJABCFGWSA-N 468.582 5.425 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N([C@H](C)c3ccccn3)C2=O)c1 920173125 PBQXKGBOPXZUDC-IBVKSMDESA-N 498.652 5.909 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920353296 GLJNROBRCBKCQD-OAQYLSRUSA-N 482.993 5.414 30 20 JKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)Nc1ccccc1Br 920417101 ZACATHXDNMPMDF-INIZCTEOSA-N 479.330 5.084 30 20 JKED CCc1ccccc1N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1cc(O)ccc1C 920485083 MVKXFSDRPVLPQZ-UHFFFAOYSA-O 490.649 5.670 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 920871485 VBPZVIUKBBIDEB-HJPURHCSSA-N 497.567 5.361 30 20 JKED COc1ccc(-c2nc(COC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)co2)cc1 920892364 LQJYSLKBQHILGV-UHFFFAOYSA-N 456.502 5.101 30 20 JKED C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](OCC(C)C)C1)c1ccccc1 1507853255 BMORCNUFLDSQRP-HXUWFJFHSA-N 470.415 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3-c3ccc(C)cc3)C2)C1 1781867685 PRQNFEYBCXXHRC-LJAQVGFWSA-N 460.618 5.098 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)CCC3)cc2)cc1 1785881461 AUGGDSWTPOAFAW-PVHODMMVSA-N 479.605 5.123 30 20 JKED COc1ccc([C@@H](C)C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1 1786037871 SVUHVMPQARYTON-HXUWFJFHSA-N 467.569 5.313 30 20 JKED CC[C@H](C)CC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)CCC2)cc1 1786259673 YHXJNWDWNJLOJX-LAUBAEHRSA-N 491.698 5.158 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1786393557 FGOSLPFVUUFSTR-DEOSSOPVSA-N 459.615 5.451 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3c(F)ccnc3Cl)cc2)CCC1 1786990590 GSOYSLRLZKTTGJ-CMDGGOBGSA-N 483.952 5.122 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3C)cc2)CCC1 1787046232 HJTBNTDOPWNSLD-OAHLLOKOSA-N 456.384 5.112 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3C)cc2)CCC1 1787046774 APDOFXUJGGCJQM-NRFANRHFSA-N 482.422 5.669 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nccc-4c3)cc2)CCC1 1788462115 ODRHDROULPEJMC-UHFFFAOYSA-N 472.665 5.313 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1 1789005424 ABXKBRMNSDSJGA-UHFFFAOYSA-N 465.509 5.131 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3nccc(OC)c3OC)CCC2)cc1)c1ccccc1 1789600525 LVECONHPUSEJOS-DEOSSOPVSA-N 497.595 5.044 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccoc45)CCC3)cc2)c1 1790075629 JZBBRMSGFSQUCD-UHFFFAOYSA-N 465.509 5.375 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1790468226 UKEKTHUAMZRMPP-URXFXBBRSA-N 495.664 5.536 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1791299789 GJOQQRZQAIVQCI-OEMFJLHTSA-N 479.571 5.710 30 20 JKED COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)C1 1791564341 ZGVNIBMJYJMYKH-UNWVZKJWSA-N 487.600 5.041 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1791578914 MTSJSGYEVHAEQD-INIZCTEOSA-N 459.571 5.494 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 1802064291 JEPJBRFPDOKWNO-LILSUDLASA-N 473.455 5.183 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1808876930 QHZOWIPSRUXEQO-WNJJXGMVSA-N 486.660 5.198 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CC3CCC(C)(C)CC3)[C@@H]2c2cccnc2)c1 1808904481 OZPBPVNTDDWYKF-SQHAQQRYSA-N 472.633 5.188 30 20 JKED CNc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)C2)cc1 1809723608 ZBUHCUGNDWQTIE-UHFFFAOYSA-N 491.635 5.287 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2cccs2)[C@@H]1c1cccnc1)c1ccccc1 1810447682 NMSDRRFCZVMLND-GRAQQIFLSA-N 485.653 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1810505423 UGNHDAUHGHXWGG-RBBKRZOGSA-N 473.539 5.412 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1811219608 AIFOELUPSTVFLB-NVQXNPDNSA-N 496.127 5.414 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c(C)c1 1811425960 NEKVAJQIBYQKGN-GJZUVCINSA-N 487.003 5.165 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1811427886 RDLCVEFATWTVIQ-NGQVCNFZSA-N 492.623 5.333 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812302798 GXWAHODRBAQWED-CYFREDJKSA-N 489.522 5.512 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CCC3)[C@H]2c2cccnc2)cc1 1812514433 SAJGYTPJRARKLY-JYFHCDHNSA-N 499.014 5.048 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c1Cl 1812994306 XLRJNRLTDKJLRT-BKMJKUGQSA-N 499.014 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(C)s2)[C@H]1c1cccnc1 1813369753 BYLVCFLBHCQMNB-DYCBHTBMSA-N 451.636 5.163 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1813564537 MCZUFDREJHADCU-WCJSSBDLSA-N 479.741 5.109 30 20 JKED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2c2cccnc2)CCC1 1814058881 UEJOPRZYCXQMJH-FOIQADDNSA-N 491.806 5.055 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)cc1 1814379643 JIUURIRXACAVRO-AREMUKBSSA-N 477.568 5.373 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(F)c(F)c3)n[nH]2)c1 1814665166 NFICSFOENLGBDL-MZNJEOGPSA-N 491.542 5.254 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 1814844283 BVHPDWMQBSHNEA-LJQANCHMSA-N 487.988 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2ccc(Cl)c(F)c2)n[nH]1 1815149688 JPOGQNZTPUBMCP-FQEVSTJZSA-N 476.980 5.266 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)cnc2C)n[nH]1 1816116938 ANPYPEVSZSHYKJ-LJQANCHMSA-N 488.430 5.174 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1818115329 BCSLNKKJRUDGAR-MOEXGYKKSA-N 480.571 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(C)oc4cc(O)ccc34)sc2C1 1818374719 RMXAVTLCFSQXAM-HNNXBMFYSA-N 467.591 5.122 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1819307049 NGCLVZWNXNHXKO-HTAPYJJXSA-N 465.985 5.619 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)[nH]n1 1819553448 HXIGNZSUWBYBJO-AWEZNQCLSA-N 469.533 5.183 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)n[nH]1 1821007357 RKKKCKOVFSWQTI-RDGATRHJSA-N 464.516 5.490 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1cccs1 1821279790 IQJMIXJBCVNESQ-AUUYWEPGSA-N 467.982 5.106 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)n[nH]1 1821760057 WLDBLVAIPFVJIN-GGXMVOPNSA-N 497.643 5.079 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1821919704 BOEGRCPLTRCWDW-YWZLYKJASA-N 467.957 5.236 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1821923223 VCOHGWBUGRZCST-IERDGZPVSA-N 472.549 5.064 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occc4c3O)[nH]n2)c1 1823216615 LZEPPSBGRXLROZ-KSFYIVLOSA-N 483.528 5.108 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cn1 1823651927 KSLFIGYJMBFMDJ-AREMUKBSSA-N 486.660 5.117 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 1823684109 MOTMAEAPPUCWQH-SANMLTNESA-N 478.036 5.007 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2)CC1 1825831565 SRGLSNPHQYJFAW-LJAQVGFWSA-N 477.608 5.029 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1827298603 TYSMDNVXWGDLNB-HSZRJFAPSA-N 493.051 5.451 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)C1 1827365539 XQBMYQREZKKUPL-GDLZYMKVSA-N 493.651 6.101 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCc2c[nH]c4ccccc24)CC3)c1 1827693021 JSOKLBWPUGCHMI-DYESRHJHSA-N 497.624 5.110 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2Br)CC1 1827766909 DRZDJZQFSRIDIK-FQEVSTJZSA-N 463.416 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827874916 YYNBFTPGGJFRCL-AHKZPQOWSA-N 471.645 5.750 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCC([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828466243 YEAMPJHHSJRNLQ-KRWDZBQOSA-N 494.451 5.420 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 1828823347 FJKFOABBGJQIAC-NOZRDPDXSA-N 461.606 5.343 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2OC)CC1 1828825757 YWMIAHBMDZKBOE-LOSJGSFVSA-N 452.639 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1828828905 ULGRHJHLBIWGGP-VWNXMTODSA-N 465.663 5.606 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906223 AGYMRGMZXSPJNT-RUZDIDTESA-N 498.788 5.311 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cnc2Cl)CC1 1828906385 JSHPLBJQTKFYKK-JOCHJYFZSA-N 492.111 5.159 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2C)CC1 1829653219 ROKJAAQLCPYXCE-FQEVSTJZSA-N 467.835 5.220 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829785797 SHDMGKCVUNKMOG-AREMUKBSSA-N 475.608 5.315 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c1 1830770406 WOCMKTTYWPWWKG-RUZDIDTESA-N 472.614 5.024 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1831290844 NLRFFBLGOBXYJK-NRFANRHFSA-N 464.984 5.203 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)C1 1831748992 KGKUCYOHZPRFLS-HSZRJFAPSA-N 475.460 5.611 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)CC2)c1 1832640946 OAWGUWOWKRUPSW-OSPHWJPCSA-N 483.534 5.278 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832709226 YFUJCXRSHWZYOJ-WOJBJXKFSA-N 474.564 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)CC1 1838424213 UXOVZKOAJBDNOA-UHFFFAOYSA-N 498.561 5.449 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](C)C#N)c3)C2)cc1 1846830657 YDJCERJFSWZFHV-QFIPXVFZSA-N 463.581 5.420 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1cccc(O)c1)c1ccc(Cl)s1 10172758 TYHDEBLWELNRDY-UHFFFAOYSA-O 455.915 5.047 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1 14871895 TZPGGYQBLGFXBY-UHFFFAOYSA-O 486.488 7.192 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 14872568 KFQCABDKYUHWPK-UHFFFAOYSA-O 487.567 6.530 30 20 JKED Cc1cccc(-n2c(SC[C@H](O)COc3ccc(CC#N)cc3)nnc2-c2c[nH]c3ccccc23)c1 15234445 BZKDECKWWJYYJA-JOCHJYFZSA-N 495.608 5.322 30 20 JKED COc1ccc(Cl)cc1-n1c(SC[C@@H](C#N)CCC#N)nnc1-c1cccc(Cl)c1 15237287 ZJVJKNXPQLMECD-CQSZACIVSA-N 458.374 5.785 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccnc2Cl)nc2sc(-c3ccccc3)c(C)c2c1=O 18541111 BLEBAWLGZDDIFN-OAHLLOKOSA-N 497.045 5.787 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccccc1-c1ccccc1 21742101 VIXYEULYYGLHOT-UHFFFAOYSA-N 474.561 5.580 30 20 JKED C=CCn1c(S[C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)nnc1-c1cccc(C)c1 22160364 BNCHFKCKOFFETI-OAHLLOKOSA-N 495.630 5.076 30 20 JKED Cc1sc(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)nc1-c1ccc(Cl)cc1 110892906 HXCGEMVMLIKRGT-UHFFFAOYSA-N 466.994 5.115 30 20 JKED Cc1cc(N(CCC#N)C(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1Cl 116808230 VHYPPVQOAMDPFH-UHFFFAOYSA-N 476.989 5.342 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N[C@@H](C)c1ccc(Cl)cc1 255930465 JEFDKIQHHNKEER-HNNXBMFYSA-N 477.417 5.319 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 303299914 OGQKOVCUPFPURJ-GOSISDBHSA-N 462.644 5.734 30 20 JKED O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 482978919 ANCSUSQUWZBQMP-SFHVURJKSA-N 498.398 6.772 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 483438942 NEGQNUCTEMBYDO-UHFFFAOYSA-N 452.514 5.168 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 498288049 NTYRJQMWTIMWKS-UHFFFAOYSA-N 480.398 5.447 30 20 JKED N#Cc1c(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)sc2c1CCCCCC2 499780446 QPYSUCZONUFNFO-UHFFFAOYSA-N 463.460 5.270 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 502681143 QRUMFGVGDSTJPQ-UHFFFAOYSA-N 482.781 5.298 30 20 JKED N#CC1(NC(=O)CC23CC4CC(C2)CC(CC(=O)NC2(C#N)CCCCC2)(C4)C3)CCCCC1 503648609 KHVAJIJVTMOLDN-UHFFFAOYSA-N 464.654 5.039 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 507620775 LWIILQBZYDFWHD-UHFFFAOYSA-N 463.921 5.270 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509905754 ROSQOLJHLQWFRY-MUUNZHRXSA-N 469.585 6.489 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 510540940 XGYWUJNYJNPKTC-DEOSSOPVSA-N 455.493 5.443 30 20 JKED CCc1ccccc1NC(=O)CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 510856044 DSUCDAHGTQYFPG-UHFFFAOYSA-N 497.599 5.010 30 20 JKED N#Cc1cc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)ccc1OCC(F)(F)F 514549644 QNRPPTOOUNOKQS-LJQANCHMSA-N 493.894 5.059 30 20 JKED CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 515542374 WVRHLHQYNHNGLG-JOCHJYFZSA-N 479.627 5.253 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc(OCCCC#N)c1 515617011 PWZJBTVUBUQEJR-UHFFFAOYSA-N 453.951 5.897 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)cc1 516384030 BYIGHWVGPWLQBC-UHFFFAOYSA-N 474.586 5.286 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Br)cc1 517522778 XVKSOTJKLSWJPX-IFXJQAMLSA-N 460.397 5.049 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccc(Cl)cc1 518652755 BDUUCSFKNYFYKU-HNNXBMFYSA-N 472.039 5.743 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4cccc(Br)c4)C3)cc2)c1 518754574 SJURAAIYMBZCQR-QHCPKHFHSA-N 478.346 5.718 30 20 JKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cc(F)ccc1N1CCN(C)CC1 520601367 OXWFNMOCLPKKMA-IBGZPJMESA-N 473.552 5.124 30 20 JKED O=C(NCc1ccc(F)cc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 520815846 CAZPRFCQDAOPAL-UHFFFAOYSA-N 466.744 5.085 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 521860771 MMBZODWJVICGEM-CYBMUJFWSA-N 466.397 6.347 30 20 JKED CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524119851 MEGTVOBUUGBHOT-UHFFFAOYSA-N 483.977 5.195 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 594276623 FNAIQLLFTQFSTN-UHFFFAOYSA-N 473.520 5.917 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1I 603641506 CLCJPPZCSQCHLJ-YUMQZZPRSA-N 483.165 5.070 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(NC(=O)c2cccc(CC#N)c2)c1 603730750 NBKGCHBLGAEDHY-UHFFFAOYSA-N 477.586 5.136 30 20 JKED CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 603821248 SHHHFEGRZARZKA-UHFFFAOYSA-N 455.992 5.276 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc2)cc1 603831124 SGLMHFHOMDOVBU-LJAQVGFWSA-N 477.564 6.251 30 20 JKED CN(C(=O)c1ccc(NCC(=O)Nc2ccccc2SCC#N)cc1Cl)C1CCCCC1 604009387 IHZOSOWERDYCPL-UHFFFAOYSA-N 471.026 5.411 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)oc12 604140722 WWNBLVPECQBDDH-IBGZPJMESA-N 497.551 5.292 30 20 JKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 604554755 VBGGIFZUFROXFH-LJQANCHMSA-N 453.546 5.193 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(COc3ccc(C#N)cc3)o1)CC2 609054900 IXRYKCLAPQATDJ-GDLZYMKVSA-N 494.547 5.535 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 609435282 BVZKHNSSFAOOLY-SJORKVTESA-N 473.440 5.491 30 20 JKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613346268 GJDLNHAJFGHPMU-UUWFMWQGSA-N 470.381 6.201 30 20 JKED N#Cc1ccc(Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)c([N+](=O)[O-])c1 619685662 YZABQTVJTBRQPU-UHFFFAOYSA-N 479.319 5.023 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 637370079 LJQMJRNWDRNMKF-UHFFFAOYSA-N 494.922 5.992 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CC[C@@H](C)OC)C2=O)cc1 726394968 XPDVFCKCOSZVLO-IIBYNOLFSA-N 490.025 5.124 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CC[C@@H](C)OC)C1=O 726396469 FCQRGDKIOZSQTJ-IIBYNOLFSA-N 490.025 5.042 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 726397230 HGRAROZWZPXDGT-OFNKIYASSA-N 467.635 5.306 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1)c1cccs1 726420528 IOGDXMQYJIOCET-JDKGLRARSA-N 467.538 5.319 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(C)=O)C=C2)[n+]2ccc(C)cc2)cc1Cl 726961049 AETHVCHYAVJLPV-UHFFFAOYSA-O 468.986 5.038 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(N(C)C(=O)OCC)CC2)c1=S 726966052 ACCOVLGOKWUOOW-UHFFFAOYSA-N 471.671 5.075 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](OC2CCCC2)c2ccccc2)n(Cc2ccccc2)c1C 727018207 SQKIOLIIHREVJX-MHZLTWQESA-N 485.584 5.207 30 20 JKED Cc1ccc(NC(=O)c2cccc(OC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)cc1 727328118 RSMOHZZHWPVSOA-UHFFFAOYSA-N 496.523 5.189 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C\c2cccc(Br)c2)cc1 727357289 PQJCXMNDQZVZRE-SQFISAMPSA-N 483.387 5.507 30 20 JKED COc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1OCc1ccc2ccccc2n1 728008647 CUEOBOFRBMLUOB-UHFFFAOYSA-N 478.508 5.639 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 728182140 XUJKVPWXBJHICZ-UHFFFAOYSA-N 457.624 5.789 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccc(OC(F)F)cc1 728300105 YJMPXEZPGHIUJZ-HNNXBMFYSA-N 455.436 5.317 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)NC(C)=O 728411635 KRIRTVGWSBERFG-HDHVGFOJSA-N 491.657 5.453 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)cs1 728441120 DQTNNEUWQNGBCM-FMIVXFBMSA-N 481.549 6.434 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)c(Cl)nc3Cl)cc2Cl)c1 728825499 BLDYYVUXFILWAQ-UHFFFAOYSA-N 450.684 5.884 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cc(F)ccc1F 729632964 BRSNHWJVRSPZLY-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2c(C)noc2C)cc1 730443572 FVBMGJHCDQXKKU-XMMPIXPASA-N 490.629 5.365 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)c1 730462055 LGSAWZPABVPIMK-OAQYLSRUSA-N 488.009 5.178 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccco1 730523496 CIUMOIDZBCFWBU-NRFANRHFSA-N 469.513 5.281 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)cc1F 730536131 PGPIBSPVEGRNHZ-HXUWFJFHSA-N 493.526 6.056 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2F)c(C)s1 730708775 IQMKXWMUHGDBSN-KUHUBIRLSA-N 483.594 5.016 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730943667 IXKCDZRKBDOFJX-GAJHUEQPSA-N 494.567 5.698 30 20 JKED Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1 731067843 JVWSKXCXZXJPTH-MRXNPFEDSA-N 451.573 5.166 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 731077325 INAGUVSBAUXGGT-INIZCTEOSA-N 482.964 6.193 30 20 JKED N#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccc(Cl)c1Cl 731195556 KUZPCTYCEPWLIQ-SCLBCKFNSA-N 485.198 5.533 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 743525931 MLGZYAJQIBNWTE-HXUWFJFHSA-N 486.956 5.244 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O 747603736 WSFNPWSQDALZFZ-OAQYLSRUSA-N 498.605 5.232 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 748617775 DDUPRIDUJSOPLY-FQEVSTJZSA-N 465.410 5.333 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)c1 749147506 PNGGMRGNMPNFLV-UHFFFAOYSA-N 460.537 5.264 30 20 JKED N#Cc1ccc(CN2C/C(=C/c3csc([N+](=O)[O-])c3)C(=O)/C(=C\c3csc([N+](=O)[O-])c3)C2)cc1 749454476 ZYIPXPQTXKGRAL-FDWQPRGYSA-N 492.538 5.050 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 750187876 DZZIGQOLEOJCPX-UHFFFAOYSA-N 476.583 5.069 30 20 JKED N#CCn1c(CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)nc2ccccc2c1=O 811919553 GCTNJTMXIKKNII-UHFFFAOYSA-N 488.570 5.122 30 20 JKED Cc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5cc(Br)ccc54)c23)cc1 812442846 JFCGOHGCNXEFIS-UHFFFAOYSA-N 464.348 5.198 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccs3)C2=O)cc1 837519507 XGUPEDJNIXEUPN-OAQYLSRUSA-N 463.584 5.111 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2)cn1 837519646 AIDQBPKKOBFTBN-NRFANRHFSA-N 495.004 5.213 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1cccnc1 838191755 HDCGXZANNZNVFK-HXOBKFHXSA-N 476.577 5.505 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1ccccn1 838219904 VDBKEMGNANQOSU-HJPURHCSSA-N 494.567 5.644 30 20 JKED COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 915103192 QSRPLHCQGUAGTQ-INIZCTEOSA-N 489.380 5.973 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC2CCC2)c1 915115881 AGNAHYCKHIVJIU-QFIPXVFZSA-N 451.592 5.072 30 20 JKED COc1ccc(C)cc1CN1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 915351558 DYNHHXMHYXUGQA-SANMLTNESA-N 454.574 5.009 30 20 JKED CCOc1ccc(CN2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)cc1 915354188 WSNIYJZAGLXEEU-MHZLTWQESA-N 454.574 5.090 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ccccc3)C2=O)c(OC)c1 916206752 RNFXBHLPEIIJSV-XMMPIXPASA-N 489.597 5.173 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(C[C@@H]2CCCO2)C1=O 916211326 MIGAEYRTSCTJHS-XUZZJYLKSA-N 495.645 5.232 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916212013 SUFVWTLLBPUHET-RTBURBONSA-N 478.401 5.133 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C[C@H]2CCCO2)cc1 916213132 ZOLIWNNRIUETHS-XLIONFOSSA-N 491.535 5.153 30 20 JKED CCOc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc(Br)c1OC 916283445 APTDZWKVZZVCOB-UHFFFAOYSA-N 498.402 5.485 30 20 JKED COc1cc(C(C)=NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC(F)F 916314080 VIJSUZWSVIIJKD-UHFFFAOYSA-N 460.502 5.274 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=Nn2c(S)nnc2-c2ccccc2F)cs1 916319731 JRPMGOJECSAUTC-UHFFFAOYSA-N 466.567 5.013 30 20 JKED Cc1ccccc1-c1nnc(S)n1N=Cc1csc(-c2cccc(Br)c2)n1 916341922 PFVJBJLMHVUGAI-UHFFFAOYSA-N 456.394 5.310 30 20 JKED C=CCOc1ccc(/C=C\C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1OC 916422645 GUSLFCOBIQDYRC-LUAWRHEFSA-N 452.532 5.007 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 916449394 FXGFPPKWRWNNRW-UHFFFAOYSA-N 471.557 5.609 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)cc1 916886787 ITZQHJXSFREFFZ-SFHVURJKSA-N 487.553 5.793 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1Cc1ccccc1 916905421 OQVIHZFYOGBSBB-VWLOTQADSA-N 463.537 5.907 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1nccn1-c1cc(C)cc(C)c1 916906823 KCEZKBMDBJXQJJ-JOCHJYFZSA-N 460.603 5.054 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916944621 JHJAZRGUCLVDPO-HXUWFJFHSA-N 467.312 5.599 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1 916947795 BCIGSHYFCCYDGN-KBMIEXCESA-N 495.645 5.114 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Br)n2)cc1 916974036 DVURIWIZCHBDAB-KRWDZBQOSA-N 455.377 5.917 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(OC(F)F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997024 QYPZHDOHUBOISB-INIZCTEOSA-N 467.324 6.527 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1sc(Nc2ccccc2OC)nc1Cl 917030610 XXXLWAAHCYDFQP-UHFFFAOYSA-N 487.010 5.377 30 20 JKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 917040234 IMXYAOCVWIWSKV-GOSISDBHSA-N 465.529 5.709 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)nc(O)c2c1C 917043340 HRLJKXCIXJOTJK-AAEUAGOBSA-N 489.047 5.775 30 20 JKED CC(C)N1C/C(=C/c2cnc(-c3ccccc3)nc2)C(=O)/C(=C/c2cnc(-c3ccccc3)nc2)C1 917143158 DCIQFFRKLZTLAQ-VVCLLGATSA-N 473.580 5.361 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc3c(ccc4ccccc43)o2)cs1 917558991 BXJHOAONHYSLDG-FMIVXFBMSA-N 456.498 6.762 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3Cl)s2)cs1 917560556 QUUSAIQMFRXUDL-DHZHZOJOSA-N 499.444 7.759 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)cc1C 917660960 SJADMFJRZFIACQ-WXFUMESZSA-N 494.636 5.030 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccc(C#N)cc3)C2=O)c1 917668359 WVJRJUUWZQTVNB-DEOSSOPVSA-N 484.581 5.036 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccnc(C)n2)cc1 917683054 QLPOPHYMNWXLGK-NRFANRHFSA-N 497.983 5.046 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 918128400 UAOGUZPYOOTCQV-GMAHTHKFSA-N 456.521 5.364 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 918446769 ANUJIWJNVOPBHY-BDYUSTAISA-N 497.957 5.979 30 20 JKED Cc1cc(-c2noc(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)ccc1F 918492166 OSXAUWVKSNSXPR-CQSZACIVSA-N 474.439 5.622 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1 920050121 XZLGAILOYFOGBP-CLOONOSVSA-N 489.417 5.753 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1csc(-c2ccsc2)n1)C(=O)c1ccccc1 920066167 SREIDIVQTDLKRX-HAHDFKILSA-N 472.635 6.901 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCCOc3ccccc3Br)n2)cc1 920139344 RWMVQFDTGWJMMJ-QGZVFWFLSA-N 471.376 5.617 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(C4SCCCS4)cc3)n2)cc1 920141958 NXMZCOAHWKDDLQ-FQEVSTJZSA-N 477.636 5.806 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 920355223 MFXQMJYRSDQOOH-HXUWFJFHSA-N 486.956 5.244 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1c(C)noc1C 920355740 MEHQATNZZPGTFY-HSZRJFAPSA-N 476.602 5.323 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2cc(C)ccc2C)cs1 920362279 UHEMYNLKRFOHSV-UHFFFAOYSA-N 491.564 5.784 30 20 JKED CCCCCCCC(=O)Nc1ccccc1NC(=O)c1ccccc1I 921154638 YCOZUXYJVBTXJX-UHFFFAOYSA-N 464.347 5.843 30 20 JKED Cc1cccc(-c2cnccc2C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)c1 1785934146 GMNHUWIGDYOPAB-UHFFFAOYSA-N 452.558 5.355 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)[C@H]5C[C@@H]5c5ccc(F)cc5)cc4)CCC3)c2c1 1786031917 QRNKOIOBJCBLCI-PKTZIBPZSA-N 493.542 5.125 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)cc(C)n1 1786040689 JDQJSPOYUKJJOJ-UHFFFAOYSA-N 466.585 5.205 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4cccc(Br)c34)cc2)CCC1 1786195225 RKGARVDUJCOYBQ-UHFFFAOYSA-N 493.405 5.157 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)cc1 1786242670 RCFUCBMHPKJFJE-UHFFFAOYSA-N 451.517 5.060 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1786365974 BJVPDOIEXNNSIK-RPWUZVMVSA-N 467.009 5.560 30 20 JKED CC(C)c1csc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)n1 1787005637 RKNCTSCTHDJMCF-UHFFFAOYSA-N 484.585 5.076 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)ccc1F 1787075574 RKMYELYMIFBVKB-QGZVFWFLSA-N 456.521 5.218 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C)cc2)CCC1 1787364467 AJCXSKJNSVEWBT-QFIPXVFZSA-N 481.593 5.195 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788311919 BYRSLPOJBOTYQQ-OAQYLSRUSA-N 484.021 5.271 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cnc(C)s3)cc2)CCC1)NC(=O)OC(C)(C)C 1788867171 XUAIOJPEEYMYGG-HXUWFJFHSA-N 498.649 5.059 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)cc2)CCC1 1789119242 GIQQESRDNGZDRF-CXUHLZMHSA-N 469.585 5.517 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1 1789356993 LBGNGGISCXQORR-UHFFFAOYSA-N 468.944 5.016 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789453959 IWWFIDKFRKCLDY-QFIPXVFZSA-N 481.637 5.146 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ncc3F)CCC2)cc1 1789454053 NLZZSUKSNMAWSK-SFHVURJKSA-N 486.385 5.499 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnccn4)c3)CCC2)cc1 1789456305 RULJBILBOWNATA-RUZDIDTESA-N 466.585 5.660 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789991420 VCNWFJMSRAAZPY-UHFFFAOYSA-N 467.529 5.120 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5Cl)CCC4)cc3)c2n1 1790024179 GSFHCNOXFDSGIZ-UHFFFAOYSA-N 499.958 5.158 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)ccc1F 1790520422 UPDWXAKVEJBUKQ-UHFFFAOYSA-N 478.527 5.236 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1)C(F)(F)F 1790711372 XDHBUUGCBOUCBJ-UHFFFAOYSA-N 455.436 5.208 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCSC4)CCC3)cc2)ccc1Br 1790746599 HIZXMRGXDANJSA-QGZVFWFLSA-N 498.446 5.212 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790837445 UZTBJHYEOCTVMM-KRWDZBQOSA-N 463.965 5.227 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc([N+](=O)[O-])c4)CCC3)cc2)c1 1792122712 UOZWMFIQWNOGJT-LJQANCHMSA-N 482.540 5.212 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CN4CCc5sccc5C4)CCC3)cc2)c1 1792123396 YPBGKFXNDOXWPO-FQEVSTJZSA-N 498.652 5.181 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(Br)ccc3OC)CCC2)cc1 1792267066 JDZROJSZKCONDL-VGOFMYFVSA-N 481.390 5.018 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3occc3n1-c1ccccc1)C2 1792572877 NKTFUEZOSQPKIW-QQFNCUIESA-N 459.590 5.468 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cccc(Br)c3)cc1)C2 1794075400 KLWXMTLPCNWPQQ-NUNAXRQHSA-N 499.474 5.287 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccccc3)cc2)c(Cl)c1 1800347629 KMSQUVOWGXHSMW-KOUNCHBCSA-N 485.971 5.570 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)cc(C(C)C)c1)C2 1801696650 QPRJBEOYPZIJLM-REPLKXPHSA-N 469.370 5.036 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1802502533 IKILDQFYOOIRRV-OPXMRZJTSA-N 458.606 5.021 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1803088814 HIJUBWSGIYHVJY-IAPPQJPRSA-N 459.634 5.222 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3SCc3ccccc3)CC2)C1 1806063004 JGMSTOUYZREJMX-HSZRJFAPSA-N 497.730 5.173 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)C3)[C@H]1c1cccnc1 1808152863 GHCXTXIGIQDLIT-LADGPHEKSA-N 475.633 5.107 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1808889613 PECHZVNZSPIMKG-UKILVPOCSA-N 453.671 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1810172679 CMPCIJLSSQOYIE-YIOBJHAYSA-N 480.612 5.232 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1810271395 FTLZPGDHIHTFLE-HOFKKMOUSA-N 487.676 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)[C@H]1c1cccnc1 1810498277 LMSVQEGENRIOJT-XLIONFOSSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(F)cc2)[C@H]1c1cccnc1 1810501766 CUCALFLRLONNBL-OPHFCASCSA-N 465.613 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810591632 SFADUBAFMVOTEF-PPJWLVRDSA-N 496.051 5.610 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cccc4c3OC(C)(C)CC4)C2)CC1 1810719591 ALHRJPZBQYVUIA-UHFFFAOYSA-N 466.666 5.627 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1811058210 MTRNTEVGDAIXCF-ILBGXUMGSA-N 486.641 5.293 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2cccs2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811251621 MWCPLUBWWKBIEB-IXCJQBJRSA-N 491.616 5.176 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811719221 VKTWQAKZWLYKKB-FUFSCUOVSA-N 499.611 5.176 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812301490 GBWWTAIXASVJOS-NEKDWFFYSA-N 493.607 6.069 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C[C@H](C)c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1812734364 YHBVAWVXWAAUTQ-IZJJXFGPSA-N 493.651 5.478 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccnc3C(C)(C)C)[C@H]2c2cccnc2)c1 1813867546 FKDJEZZJZKVBHD-ZOSUSCCZSA-N 495.627 5.035 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)[nH]n1 1814441431 JDFCMEDEPLKWSF-HNNXBMFYSA-N 469.533 5.183 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)c1 1814739991 QANAUSPUGCHBKA-FQEVSTJZSA-N 497.933 5.152 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)[nH]n2)CC1 1817111668 AEDVSIAQGMBICJ-ISKFKSNPSA-N 489.526 5.217 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2occc2Br)n[nH]1 1818203653 GYWVLDOKSGLSKF-INIZCTEOSA-N 463.376 5.064 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)[nH]n1 1819309331 SCVQMBZLUZMMNF-UKILVPOCSA-N 469.589 5.546 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)Nc2ccccc2)[nH]n1)c1ccccc1 1819518777 DOLVFBPOTQNGLY-DSBYRVASSA-N 483.616 5.100 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2Cl)n[nH]1)C(F)(F)F 1820187168 KIIRWZMFVHRWQA-OAHLLOKOSA-N 492.832 5.089 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1Cl 1821027480 MPSCCZUBEBGOFS-QFIPXVFZSA-N 491.979 5.342 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c1 1821321735 GYSFGAXFBZFPMZ-NRFANRHFSA-N 465.916 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3c(Cl)cccc23)n[nH]1 1821543336 QYTXVNUBKYTNSJ-IIBYNOLFSA-N 465.985 5.619 30 20 JKED C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1)Oc1ccccc1 1821784788 UIZKEQAYGZBYCM-ZJSXRUAMSA-N 494.712 5.311 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)c(Cl)c1 1822023562 YGNGPCVWJDFOPE-OBUYZQBDSA-N 465.985 5.067 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)CC2)c1 1824329173 RSPWDERJMXOHKE-CYFREDJKSA-N 471.592 5.372 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 1824962565 MUWKZNRGUIAKCB-HXUWFJFHSA-N 499.902 5.255 30 20 JKED O=C([C@@H]1[C@@H]2CCC[C@H]1c1ccccc1N2)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826523537 URMKTYLZGVQAJD-MBPHXRIUSA-N 495.667 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)CC1 1826641022 YMSWIHCKKZSQNS-RUZDIDTESA-N 484.681 5.249 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C#Cc4ccc(Cl)cc4)CC3)cc2n1 1827274154 HVJCTDXIMPYQOX-DEOSSOPVSA-N 490.003 5.075 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c2O1 1827521070 MCYBHXHLUICNGI-SANMLTNESA-N 485.628 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2sccc2Cl)CC3)c1 1827699501 QWSXHDSJUIHZTA-IUODEOHRSA-N 471.007 5.025 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c(Cl)c1 1827773905 NFAGXZMNRWZHBT-OAQYLSRUSA-N 492.929 5.106 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827793079 DWMSFDINRXECJX-BDYUSTAISA-N 471.645 5.750 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1 1827923848 AOCUKKMNHAHENB-DEOSSOPVSA-N 463.647 5.237 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828154146 JLRBTOYNGXFLDY-JOCHJYFZSA-N 472.626 5.257 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828162827 BYJWVGHVZMUAHS-HXUWFJFHSA-N 475.029 5.294 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828508318 FHROFKJMBKDLFV-QFIPXVFZSA-N 493.595 5.339 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1828827389 WRAOBWFSKOEXSZ-AHWVRZQESA-N 499.655 6.430 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC=CO2)CC1 1828898487 XEHMDZBNSMHFFL-VMPREFPWSA-N 482.624 5.012 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1829902955 ZFILOYHWQWMORO-QHCPKHFHSA-N 484.427 5.607 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2Cl)CC1 1830531998 MSWKCBFDEZVZIZ-NRFANRHFSA-N 497.836 5.278 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830542466 ZJKODQTYFFGYBG-OAQYLSRUSA-N 468.947 5.396 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578711 XPIUFCOKKPIHTE-IBGZPJMESA-N 469.935 5.142 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)S)CC2)c1 1830778497 XEAOWJVHNLUTQX-IIBYNOLFSA-N 481.500 5.124 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CC2)CC1)c1ccc(Cl)cc1 1831307675 HKHBKZBBJFEIKX-DHIUTWEWSA-N 456.030 5.003 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 1831374720 SULRJXACARAXLD-GJZUVCINSA-N 451.655 5.122 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831448159 JOYCOXWNWXVKHB-VWLOTQADSA-N 495.570 5.006 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831851865 CFVXZPOESZZASH-HSZRJFAPSA-N 463.449 5.349 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1831855460 BBRKKIMGAGMFHA-HSZRJFAPSA-N 485.550 5.577 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1832034099 JABWDHXRXZDXRQ-HHHXNRCGSA-N 488.628 5.053 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(F)CCCC=C3F)CC2)cc1C#N 1832704759 SHQFQYCUFMYRSU-QDPGVEIFSA-N 499.602 5.324 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705189 NIINYNJXUFGBIV-QFIPXVFZSA-N 484.534 5.061 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)CNC(=O)OC(C)(C)C)CC1 1833000697 RZJHHEXCSYBTGC-QFIPXVFZSA-N 491.717 5.149 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)CC1 1833076535 ROQKZAGGSHUCIJ-UHFFFAOYSA-N 485.669 5.218 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CC2(CCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 1845340910 YVRLDOJJBVGOPC-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCn1c(SCC(=O)OCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 9847922 JNHWWQOOERQEJY-UHFFFAOYSA-N 459.358 5.145 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174213 YFIOHLVQUKYNNN-UHFFFAOYSA-O 475.512 5.495 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 10831132 SJALPQZLWPJADE-UHFFFAOYSA-O 453.031 5.868 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cccc(OC)c2)cc1 11261023 RPYUJFOEIHFDOK-UHFFFAOYSA-O 461.651 6.554 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccccc1OC 14082616 LGOJTTNQIUBZHO-UHFFFAOYSA-N 483.808 5.831 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1OC 14202586 TVIIXVWFZFWRQT-FPYGCLRLSA-N 493.943 5.206 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 15242237 BQSYIBJZCACBBD-JOCHJYFZSA-N 476.989 5.186 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 15609440 WGPUGGGYESTHIH-UHFFFAOYSA-N 481.892 5.217 30 20 JKED COc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)c1 16790163 KQNCCWDSKBYYHD-OAHLLOKOSA-N 493.976 5.239 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 16832690 RKSKZRDXXXHNJV-AWEZNQCLSA-N 491.842 5.344 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nc2ccccc2c1=O 17231584 HYBDHKSBGZMVEY-HSZRJFAPSA-N 457.555 5.063 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 18023375 VELMEGKUDQLBJW-UHFFFAOYSA-N 482.587 5.137 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 21918911 UIUYGMNZNZQCRL-HNNXBMFYSA-N 481.599 5.190 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)nnc1-c1ccco1 23202038 UDHRJBIUOFCULF-UHFFFAOYSA-N 479.631 6.083 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2sc(C)c(C)c2c1=O 23559518 DKSDQFONAIYPNV-LBPRGKRZSA-N 468.431 5.687 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 23604199 GLXXKRKOIAOXJQ-UHFFFAOYSA-O 468.646 6.123 30 20 JKED CCCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc2sc(C)c(C)c2c1=O 36817662 ODWWMUJRKKBRQW-GOSISDBHSA-N 468.648 5.302 30 20 JKED C[C@@H](c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1-c1ccc(F)cc1)N(C)C 96447662 MYHZTITYPQAVSF-XYLCRUHJSA-N 479.625 5.002 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 108894202 FYEQDPGTAIVBMA-UHFFFAOYSA-N 455.967 5.128 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 195727830 IHJVWVJTZRYDPS-NSHDSACASA-N 485.179 6.385 30 20 JKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cnn1-c1ccc(F)cc1 303162983 IAOKNLWKTWXSHR-UHFFFAOYSA-N 454.505 5.585 30 20 JKED COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1)CC2 480410761 VINDMSRIWQGTII-IBGZPJMESA-N 470.573 5.016 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC(F)F 481625668 MUUDQGQENBBQOB-UHFFFAOYSA-N 471.435 5.208 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 500086904 AOBSQGSFRXUHKI-SFHVURJKSA-N 455.608 6.465 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)o1 501690266 QOCQONQYYCBEND-UHFFFAOYSA-N 477.520 5.114 30 20 JKED Cc1cc(Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)n2c(nc3ccccc32)c1C#N 502107617 SOJPMSAIHXSDPA-MRXNPFEDSA-N 471.565 5.161 30 20 JKED C=CCN(Cc1nnc(-c2c(-c3ccccc3)noc2C)o1)Cc1cc(Br)ccc1F 502660962 NOMAKKYBYQPXGR-UHFFFAOYSA-N 483.341 5.790 30 20 JKED COCc1c(Br)cccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 505384136 IQEVXFRQYQCLGR-UHFFFAOYSA-N 451.320 5.298 30 20 JKED COc1cc(Br)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OC 509400477 QFCHKQBSXNUOPE-UHFFFAOYSA-N 467.319 5.169 30 20 JKED C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 509559657 MMGCNQILILNZJH-FQEVSTJZSA-N 490.554 5.521 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2c(c1)CCC(=O)N2 511314942 LJLRMOMKERWSRR-GOSISDBHSA-N 454.530 5.099 30 20 JKED C=CCN(C(=O)Cc1ccc(-n2nc(C)cc2C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 517304527 QZYCRKICGFDFFD-UHFFFAOYSA-N 473.558 5.283 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 520372691 FMKBETWSKRQPNJ-UHFFFAOYSA-N 459.590 5.384 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(F)cc1Br 520835499 OHUIKQYRQDQEAV-UHFFFAOYSA-N 477.277 5.630 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 521028114 ATUPXDVDNYDZIC-UHFFFAOYSA-N 494.016 5.034 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(C3CC3)nc21 521263666 LGQMOODOMBSXQJ-HNNXBMFYSA-N 463.513 5.781 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 521326274 LDAJGGZLPJZOQD-GOSISDBHSA-N 486.626 5.454 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)O[C@H](C)C2 521733293 DUQADXQWDYAQHE-DKSSEZFCSA-N 490.547 6.175 30 20 JKED Cc1sc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)nc1-c1c(F)cc(F)cc1F 521788997 YNYPDOVYIJPYBT-UHFFFAOYSA-N 472.492 5.201 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccc(F)cc4)nc4onc(C)c34)n2)cc1 522487665 GFDADXZUPKTDJU-FQEVSTJZSA-N 484.512 5.960 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 523240558 VPZMZZLNTOVGLE-HXUWFJFHSA-N 468.944 5.948 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccccc4)nc4onc(C)c34)n2)cc1 572426003 NZJITMXUICAIID-FQEVSTJZSA-N 450.523 6.120 30 20 JKED O=C(Nc1cc(F)ccc1N1CCCCC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 588953471 MMVBXJKLCDOGBJ-STQMWFEESA-N 455.418 5.847 30 20 JKED C[C@H](CCC(=O)Nc1ccc(F)cc1C(F)(F)F)CC(=O)Nc1ccc(F)cc1C(F)(F)F 590253161 LVVKMIYJCHECDH-LLVKDONJSA-N 482.371 6.386 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 602092118 FAEYGGHHQLZRRJ-UHFFFAOYSA-N 486.597 5.023 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1Cl 603766048 LCGCCKVOZUNOET-IBGZPJMESA-N 466.324 5.586 30 20 JKED Cc1cc(C)c(-c2csc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)c(C)c1 603833871 UBHZEMCTIMBCIX-UHFFFAOYSA-N 487.585 5.710 30 20 JKED N#C[C@@H](Cc1ccccc1)Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 604029757 DZVZSEWUHASOTG-LJQANCHMSA-N 470.989 5.546 30 20 JKED CC(C)N(C)C(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089888 QPDXEDKSPOXYJE-UHFFFAOYSA-N 454.958 5.115 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1 608814045 NOXITZJOJKJJAE-UHFFFAOYSA-N 458.518 5.390 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 608873723 FGPNAFHIMPXCHR-QHCPKHFHSA-N 478.017 5.166 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1Cl 608892004 XLFKPXUCSGDMFT-JOCHJYFZSA-N 494.929 5.264 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 608995605 TYMFTUNQLYLPBL-MRXNPFEDSA-N 498.992 5.137 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 609061633 QVJBYCYJYAKFKF-UHFFFAOYSA-N 492.362 6.968 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)cc1 609175105 XEOBNLFSFBESQI-UHFFFAOYSA-N 477.524 5.106 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)o2)cc1 609184971 JPRWDMZZQOFSLF-UHFFFAOYSA-N 463.537 5.872 30 20 JKED CCc1cc(C#N)c(NC(=O)CC2(CC(=O)Nc3sc(CC)cc3C#N)CCCC2)s1 609228073 AGUZTRRLHGXTBW-UHFFFAOYSA-N 454.621 5.596 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc12 613289763 QKBYPBLQWBHORF-LBPRGKRZSA-N 497.374 5.018 30 20 JKED C=CCn1c(SCC(=O)N(C)c2nccs2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 613853547 NVHLTLZRPRNLIQ-INIZCTEOSA-N 487.720 5.555 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 616121770 COGNFFSXUIQMAH-FQEVSTJZSA-N 476.042 5.252 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)ccc1Cl 619806386 SCIQZVUMVNIROX-UHFFFAOYSA-N 492.004 5.587 30 20 JKED C=CCn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nnc1[C@@H]1COc2ccccc2O1 650946846 KNSXJQHIMKICOJ-NRFANRHFSA-N 466.950 5.577 30 20 JKED COc1cc(C=Nn2cnnc2-c2ccccc2)ccc1OCCOc1cccc(Br)c1 725855785 GRUNDGMJNYYQAJ-UHFFFAOYSA-N 493.361 5.056 30 20 JKED COc1cc(C=Nn2cnnc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 725856707 XDGCVLOSBTYMRI-UHFFFAOYSA-N 453.329 5.722 30 20 JKED C[C@@H](OC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 726221957 XGNSKHLREQAZKI-GIKSKMNSSA-N 485.540 5.228 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)CCc2ccco2)cc1F 726413612 YXAYRFRSYWUPHP-SBUREZEXSA-N 495.576 5.409 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N/[C@H](C)c1cccs1 726420473 LTLZLQDGLFRRQB-PKWGXKOHSA-N 481.643 5.328 30 20 JKED COc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 728062986 YPXQAFUKMUMMRK-INIZCTEOSA-N 465.937 5.247 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)cn2)c1 728476148 KQGPQDSDQZSODZ-UHFFFAOYSA-N 480.348 5.161 30 20 JKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C\c4ccc(O[C@@H](C)C#N)cc4)nc(=O)c3s2)cc1 728698147 DYQQSPFFHXQIEE-YRIIZNAFSA-N 463.946 5.688 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1Cl 728777735 NILYIPIEXDQALW-QHCPKHFHSA-N 491.016 6.147 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(C)c2)cc1OC 729255025 QQJWSFRSTMZNSB-DCEUBDQSSA-N 460.549 5.754 30 20 JKED CN(C[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1)C(=O)OC(C)(C)C 729558159 CUZNGOCLGNCYJN-OAQYLSRUSA-N 478.593 5.052 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)c(Cl)cc3OC)C(=O)N2C2CCC2)c1 730458552 ALQYZUKVEQYWPX-NRFANRHFSA-N 488.009 5.178 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O 730461602 QKNWCHXVQSIRPS-QHCPKHFHSA-N 459.571 5.361 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C2CCC2)cc1 730461880 TZTCSUSAJWBRNI-QHCPKHFHSA-N 459.571 5.361 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCC2)cc1Cl 730462860 QKCHBPQYXVICPB-IBGZPJMESA-N 461.946 5.001 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944517 XNPLINGYRHWTLI-HTAPYJJXSA-N 462.550 5.251 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 730944543 YAMWDCFIMAQDNW-YCRPNKLZSA-N 482.968 5.596 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCSc2ccc(Br)cc2)cc1Cl 731136410 QIBQFGMCDGTSPS-INIZCTEOSA-N 481.799 5.331 30 20 JKED O=C1/C(=C\c2csc(-c3ccccn3)n2)CN(CC2CC2)C/C1=C\c1csc(-c2ccccn2)n1 747319410 VXTRNIXCMWGHHP-UHWBUFEVSA-N 497.649 5.485 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2ccccc2CC)C=C1 748289809 COTOYICDLWTWHT-UHFFFAOYSA-O 477.606 5.438 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1ccc(OCc2ccccc2F)cc1 767044896 GJIUYGLTOIUPQW-UHFFFAOYSA-N 469.428 5.096 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c3c(C)noc3n2)c(C)o1 813320736 XLPOHLWDFGYVDV-UHFFFAOYSA-N 482.496 5.316 30 20 JKED N#Cc1cccc(OCc2cccc(-c3nc([C@H]4CCC(=O)N(CC5CCCC5)C4)no3)c2)c1 856575447 COKDGQTZVMOXLK-QHCPKHFHSA-N 456.546 5.083 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc(-c3cc(C)ccn3)no2)ccc1Cl 904939697 JPMRUNISXPIHHX-UHFFFAOYSA-N 466.950 5.142 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccccc2)C=C1 912823330 SBOPSIKYJDLGIW-UHFFFAOYSA-O 467.014 5.747 30 20 JKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1 914772053 NWNJCQQIMCVFJN-UHFFFAOYSA-N 478.618 5.538 30 20 JKED N#C[C@H](C(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 915102139 SEXIJYQZAKUPSA-ZWAQGKOVSA-N 498.955 5.585 30 20 JKED Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)CC2)c(C)c1 915102450 STRXDSVMDGRFPT-QFIPXVFZSA-N 493.654 5.013 30 20 JKED COc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c(-c2ccccc2)cc1OC 915270220 BRVVTINVCPDNOA-UHFFFAOYSA-N 481.577 6.000 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cc(F)c(Cl)cc1Cl 915723534 UKAKERXDMJEUQP-AUUYWEPGSA-N 470.331 5.604 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 915726954 GOVUMGBGMLHLCD-HHHXNRCGSA-N 459.549 5.229 30 20 JKED Cc1ncc(CO)c(/C=N\C[C@@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)c1O 915979743 RULRFYMUAASCRU-HIHCNUKRSA-N 476.429 5.175 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 916204549 AHPJCIIOKCJWBS-FQEVSTJZSA-N 468.941 5.035 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916209133 FMAXQQDYAYWMCU-LPHOPBHVSA-N 478.401 5.133 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916209165 GFHHETNJYYIAHV-KRWDZBQOSA-N 467.900 5.482 30 20 JKED O=C(O)c1cc(NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)ccc1Cl 916259313 DSIODQWESNJIPE-UHFFFAOYSA-N 484.899 5.443 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc2ccccc2n1 916849169 SQXINAUUHALFAE-MSOLQXFVSA-N 452.341 5.270 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 916885425 WRASOLXWJBMCDM-HXUWFJFHSA-N 496.748 5.316 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 916901033 WSJCIFRORFQEJX-QFBILLFUSA-N 463.921 5.153 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916906901 WFTSHMIJFFSXTO-UGKGYDQZSA-N 487.581 5.195 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nncn3-c3ccc(C)c(Cl)c3)n2)cc1 916972611 PVOMILZOBHLYLY-GOSISDBHSA-N 480.018 5.630 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CN2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C(C)C)cc2)c1 917665783 KOKXOCRNXOQMCB-WZONZLPQSA-N 494.661 5.062 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2ccc(C#N)cc2)C1=O 917671121 LPDUZZSHHTUCPY-VWLOTQADSA-N 498.608 5.344 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3C)C2=O)c1 917703508 NOURKRLSFFUTEX-RUZDIDTESA-N 482.609 5.644 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OCC)cc2C)c1 917793406 QXBICGBJNJDITI-UHFFFAOYSA-N 485.005 5.681 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1 917797426 ATVWWFTYXIKHLM-UHFFFAOYSA-N 467.525 5.087 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2ccccc2Oc2cccc(Br)c2)cc1 919472621 RINHIMGWFFHKQZ-UHFFFAOYSA-N 465.303 5.103 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)n2)cc1 920141073 LXYLUSCWESBXOY-SFHVURJKSA-N 460.465 5.424 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)s1 920169684 UZQSMICNRUCJFC-JTSKRJEESA-N 474.611 5.650 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(F)c(Cl)c2)no1 920354997 JGTNNXJLBNEXIF-LJQANCHMSA-N 490.919 5.075 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CN3CCc4nc[nH]c4C3)c2C#N)C(C)(C)C1 929073094 FDYDAVFDEAFSED-SNAWJCMRSA-N 489.670 5.488 30 20 JKED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CCCCCCCCCCc1ccccc1)CCO2 1783919479 CXXLZYOPMVUTQD-MUUNZHRXSA-N 454.655 5.146 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn(C(C)C)cc3C(F)(F)F)CCC2)cc1 1786371818 ODOOIXRTIQVTGB-QGZVFWFLSA-N 477.527 5.427 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)(C)C)cc3)CCC2)cc1 1786374156 HBMVABUKZJUGAI-IBGZPJMESA-N 450.579 5.203 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)CN4)cc2)CCC1 1787948750 UHYSBUYTPOQSRM-RXFWQSSRSA-N 487.644 5.582 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789151752 NMTILGCFSCRKLJ-NLSFWIRASA-N 452.982 5.169 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)CCC2)cc1 1789453635 CTPRZFYYMJMBST-OAQYLSRUSA-N 496.533 5.869 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccn4cn3)CCC2)cc1 1789508057 HQYJYZMVGRHRCB-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cnccc34)CCC2)cc1 1789508158 QWRXTYYOLFLIGE-UHFFFAOYSA-N 472.665 5.362 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)CCC1 1789704187 JLYZMQIGBMKRGN-UHFFFAOYSA-N 454.304 5.348 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(O)c3)CCC2)cc1 1791730418 IDPLZFSDABPLGQ-UHFFFAOYSA-N 469.379 5.096 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(=O)N(C)C)c3)cc2)CCC1 1792194928 CYNJRDVHCFFKLK-UHFFFAOYSA-N 461.606 5.129 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CC)cc1 1796871884 ZTSXVTAWIADCQI-WLXSAPIGSA-N 497.680 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1cccc(Br)c1)C2 1798332468 PUWLRQYAVSJZHN-ADYITMSISA-N 489.454 5.015 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)[C@@H]1c1cccnc1 1802501185 IQEVWWLOIXAFRD-LANNOVGDSA-N 482.024 5.152 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4occ(Cl)c4c2)C3)c1 1803680460 FBHOAKDHOJLYOF-HUJKARHJSA-N 461.949 5.279 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)cnc3Cl)CC2)C1 1805456214 IPQFTVKFVVCEOB-UHFFFAOYSA-N 494.861 5.111 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c(Cl)c1 1808973521 FUBGXKMZJWXCMO-AMGIVPHBSA-N 494.982 5.393 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1809340335 FWFLKVUVOAMZGN-SGIRGMQISA-N 474.630 5.088 30 20 JKED Cc1ccc(SCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1809476264 FXJMFYWBPVUCTE-QLADTWODSA-N 498.652 5.129 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2sccc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1810443235 GCVMGYIVLDVCEU-AOHZBQACSA-N 492.044 5.313 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@@H]1c1cccnc1 1810511080 VMFJPNCASHVDKG-PTJQVGQKSA-N 485.603 5.343 30 20 JKED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1811412160 FPUIQLKRUXAVGW-VAXXYWNWSA-N 481.706 5.315 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cc3cccc(F)c3)c2)[C@@H]1c1cccnc1 1814008748 ILQSYYRBABASKJ-PTJQVGQKSA-N 485.603 5.343 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)[nH]n1 1814830330 XHSWRMRXQPWSFF-LJQANCHMSA-N 456.974 5.146 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1815097415 XKILVYWFRNTDLD-OPAMFIHVSA-N 494.020 5.421 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n[nH]2)CCC1 1818165430 VQXZTLUNLDTVDJ-IBGZPJMESA-N 477.952 5.323 30 20 JKED CC1=CC[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC3)CC1 1818627448 ARLQRURNXMJRPD-QAPCUYQASA-N 488.535 5.006 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)c1Cl 1820222647 CGZWMOSXGAPVEC-RKLYKTOLSA-N 465.985 5.211 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(F)c(F)c3)CC2)n[nH]1 1820688599 JTWHBAYELNMMDC-AVRDEDQJSA-N 468.548 5.180 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@](C)(OC)c2cccc3ccccc23)n[nH]1 1820705192 WIWGWYDVRYPTKR-ATIYNZHBSA-N 496.558 5.328 30 20 JKED Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)o1 1821150965 ANVIOQCSKOOMCG-RUZDIDTESA-N 493.567 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)ccc2OCC)n[nH]1 1821154538 UHCITSVBJSAIHV-NQIIRXRSSA-N 471.001 5.536 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c(Cl)c1 1821279740 GTBCPMYKTMUVKL-HXUWFJFHSA-N 486.334 5.347 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)[nH]n1 1821926701 VFRIWYJIGRJPKI-DZSIALKYSA-N 471.399 5.090 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1822400504 NVTIEBFWVSMRFR-LAUBAEHRSA-N 465.985 5.233 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)c3ccccc3)[nH]n2)c1 1823215932 KTOOVGJZHGKMJH-IMWIBFENSA-N 455.562 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c1 1823216009 MZNHKQYXJPDBAA-AVRWGWEMSA-N 467.573 5.534 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1)Oc1ccccc1 1823217409 RTSUCNQCJQJKFR-WZOHSFFVSA-N 485.588 5.200 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)cc1 1823685259 PRUBCEJTKCPPEV-RFYAYMHSSA-N 461.650 5.247 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnn2-c2ccccc2)CC1 1823752508 VTFZBFGPPAPNOA-DEOSSOPVSA-N 462.638 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1 1823752612 IMSPAHWILSJVST-VWLOTQADSA-N 484.681 5.249 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c1 1823938538 FWXVDYUNYGCOPC-QHCPKHFHSA-N 471.935 5.037 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cn1 1824050756 IMRNPSLVYWZCGX-AREMUKBSSA-N 486.660 5.117 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1824828040 VPKPBQMVCVLKGS-XPJNUEMQSA-N 493.545 5.299 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)nc3F)CC2)c1 1825376907 QVPNAKACKMGILD-VGOFRKELSA-N 482.987 5.048 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(C)nc2C)CC1)c1ccccc1 1825866358 IAOQLEQJFIIBJK-RPBOFIJWSA-N 477.674 5.190 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)c2c1 1827694663 ZJZXXQGNDRBQJZ-UTKZUKDTSA-N 497.624 5.028 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)CC1 1828600237 TXNWEQUEDAICDP-LJQANCHMSA-N 475.452 5.473 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 1828827478 NNXIWJXOKBXLFD-JTHBVZDNSA-N 459.030 5.350 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(SC)cc2)CC1 1828828922 ALGZYOHLVWHJDH-JWQCQUIFSA-N 454.680 5.339 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1829005270 YODNYFWMBPJNOF-KVMXLORXSA-N 473.617 5.116 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)CCCC3=O)CC1 1829066543 IRBVBWPDLRNPAD-VWLOTQADSA-N 464.650 5.431 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c1Cl 1829688645 FCMLPIAIHQBIOR-QHCPKHFHSA-N 456.030 5.415 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)sc2c1 1830630681 PLDZFYRIFCYZSH-XMMPIXPASA-N 486.641 5.218 30 20 JKED C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)Oc1ccccc1 1830722950 ADAYAHQIJJAIQP-IBVKSMDESA-N 494.035 5.303 30 20 JKED COc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1C 1830723429 IKHWLHRYWGGSJD-RUZDIDTESA-N 494.035 5.005 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770590 DAQLSKLEZDVIOP-XMMPIXPASA-N 480.008 5.076 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831296901 LCWJRULTUDXOJH-RPWUZVMVSA-N 476.583 5.636 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1831375720 DBQINCMHNCKCPX-KOSHJBKYSA-N 454.014 5.334 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1)c1ccc(O)cc1 1831924204 JAOWNGRLCXSIFK-AHWVRZQESA-N 482.640 5.181 30 20 JKED Cc1ccc(OCCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832630059 XWFJAUCCJFIVPE-QDPGVEIFSA-N 487.644 5.325 30 20 JKED CCOc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634024 QVDBUJODEFDIEO-LVXARBLLSA-N 473.617 5.259 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1832686925 NFWBBQHWPFUVEU-NRFANRHFSA-N 489.925 5.176 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832706621 OSOHHCXWVZWTCY-HRAATJIYSA-N 454.508 5.290 30 20 JKED C=CCNc1nc(C(=O)OCc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)cs1 10071746 FIYBIYIXVNLBFO-UHFFFAOYSA-N 483.402 5.546 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(C)c(C)c3)n2Cc2ccco2)c1 10349721 LVZRFLNKQYHWOI-UHFFFAOYSA-N 485.613 5.551 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccccc2Cl)cc1 10825700 GBBRXTRAFBPGDV-UHFFFAOYSA-O 472.033 6.908 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(Br)c2)cc1 11089347 SXPNCNRHHUQXFZ-UHFFFAOYSA-O 474.469 6.028 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(Cl)c2C)cc1 11259000 ZZBIONYXMBKWHF-UHFFFAOYSA-O 458.072 6.618 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C)nc2scc(-c3cccs3)c2c1=O 11382733 QJGIYODAKBEAKK-UHFFFAOYSA-N 453.614 5.412 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NC3CCCCC3)s2)n(C2CCCC2)c1C 12472180 CVZGAIIBXLVFEW-UHFFFAOYSA-N 458.657 5.419 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nnc1-c1ccc(Cl)cc1Cl 15500075 YQGBURFXOSLDHG-UHFFFAOYSA-N 467.809 6.131 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccc(Br)cc1 16832606 BFDPYABIZQTKPU-CYBMUJFWSA-N 477.815 5.666 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(=O)oc2cc(C)c(C)cc12 21619984 CRBMSOZZCGNQTG-UHFFFAOYSA-N 451.523 5.198 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c3ccccc3n2)o1 22153021 YQGMOIPUMAZBKL-UHFFFAOYSA-N 457.511 5.214 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)c1 22728384 NJCRJWDKIYCHAF-UHFFFAOYSA-O 453.534 5.191 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 23283313 ZLUHQPUKKRZITN-NRFANRHFSA-N 482.613 5.374 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nc2sc(C)c(C)c2c1=O 23405155 CBADLNDLYNNDDB-VIFPVBQESA-N 489.491 5.076 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1 28298360 WMNQRDJWASSPKZ-NHCUHLMSSA-N 495.718 5.571 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(C(C)(C)C)cc2)c1 28811043 HNLNPPRCHAYXEJ-UHFFFAOYSA-O 476.622 6.102 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1/C(O)=N/c1nc(-c2ccccc2Br)n[nH]1 28907037 DAILPUYGDVAYGK-UHFFFAOYSA-N 488.342 5.354 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 29200625 IWTYHNYYOIOILW-UHFFFAOYSA-N 483.524 5.240 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)s2)cc1 29649169 IEXZYXYPDNKCPX-UHFFFAOYSA-N 480.524 6.319 30 20 JKED C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl)c1nc(-c2ccccc2)cs1 72110628 UGLLBNVGXIAOCW-UHFFFAOYSA-N 490.050 5.325 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 195611399 CRKXUXZBEJWXSR-UHFFFAOYSA-N 463.419 5.511 30 20 JKED CN(CCN(C)C(=O)c1ccccc1-c1ccccc1C#N)C(=O)c1ccccc1-c1ccccc1C#N 195682131 QMTADNJLKGZRMB-UHFFFAOYSA-N 498.586 5.608 30 20 JKED Cc1ccccc1-c1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1Cc1ccco1 301909105 UBCFMEKEKLVXFJ-UHFFFAOYSA-N 481.581 5.738 30 20 JKED Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 303048624 REDOJQPHTVFCJW-UHFFFAOYSA-N 473.667 5.960 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 303252297 CJEDBDYTDUFIEI-AWEZNQCLSA-N 453.564 5.952 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2F)c1 481655488 HKKXUHVOUSLELJ-HSZRJFAPSA-N 462.525 5.218 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)c2ccccc21 486654468 ROESMBHEKZMJEZ-UHFFFAOYSA-N 467.348 5.342 30 20 JKED COCCN(C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 487573058 IROTWQFIIIINRN-LBPRGKRZSA-N 480.380 5.038 30 20 JKED O=C(CS(=O)(=O)Cc1ccccc1C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 498647823 XCHFNENTVUPHPH-UHFFFAOYSA-N 493.347 5.297 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 499546543 RHPYSUPNXQRKKV-XMMPIXPASA-N 474.992 5.799 30 20 JKED CCN(C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1)[C@H](C)c1ccc(C#N)cc1 509570172 HRAKDENMMGEJSQ-QGZVFWFLSA-N 488.638 5.778 30 20 JKED CCN(C(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1)[C@H](C)c1ccc(C#N)cc1 509608935 NXFUWEKRMVCGOJ-HXUWFJFHSA-N 461.587 5.199 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(Cn4ccccc4=O)cc3)cc2Cl)cc1 510616795 HLVCDUPGGCUGLH-UHFFFAOYSA-N 484.943 5.536 30 20 JKED C=CCn1c(SCc2ccc(OC)c(Br)c2)nnc1[C@@H]1COc2ccccc2O1 512936280 UDLDYKAQOCJQRO-IBGZPJMESA-N 474.380 5.040 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 513981374 LCGQPENPZCRANM-UHFFFAOYSA-N 470.548 5.604 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C 515353794 HQYHQYAJECNSDC-INIZCTEOSA-N 461.678 5.413 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Br)cc1Cl 518133816 VCBVPHSPZJMCPM-CYBMUJFWSA-N 469.857 6.369 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)c1nc(-c2ccccc2)cs1 518170960 JALPXKGEVIECSB-QFIPXVFZSA-N 459.615 5.498 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(-c4ccc(OC)cc4)nc3C)n2)cc1 518516553 KINBUKAAIQXSSR-IBGZPJMESA-N 461.568 5.749 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Br)cc1 518684792 MNZKTIGKAPTRPK-KDOFPFPSSA-N 476.396 5.127 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 519064011 BUSNFRHCPCIQAR-IBGZPJMESA-N 456.546 5.272 30 20 JKED CC(C)(C)c1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)n(-c2ccccn2)n1 519112941 QPUTYSDOPQMWCK-UHFFFAOYSA-N 451.530 5.268 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)cc1 519988497 VTQMLVUBAYSCKI-UHFFFAOYSA-N 474.948 5.384 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(I)c1 521730687 TYOOKVNJFXTFHW-NSHDSACASA-N 456.736 5.449 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 523372899 PUYOIDXNEFQVGV-XMMPIXPASA-N 453.502 5.004 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C 524442210 VWPFLRKIRVOYPO-UHFFFAOYSA-N 463.965 5.780 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2F)c1 524450471 GSIHDZSWVNLQGC-UHFFFAOYSA-N 451.306 5.384 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 549245056 PPXWCSACEUPGKP-KRWDZBQOSA-N 451.914 5.072 30 20 JKED Cc1sc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C#N)c1C 603445190 PQWPUMFERPFDCH-UHFFFAOYSA-N 479.671 5.666 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1Cl 603758797 IUPLGASIYZWTLT-GOSISDBHSA-N 481.865 5.847 30 20 JKED Cc1nc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)sc1SCC#N 603909294 DHLUCQRVBRZNMX-HNNXBMFYSA-N 471.435 5.157 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 603923994 UBDZOWONCXSAQM-SFHVURJKSA-N 459.571 5.409 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)cn2)cc1 604241599 BHTQNDVRFVOSNF-UHFFFAOYSA-N 489.457 6.080 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C2CC2)cc1 608797398 JJNCSRSIQUKMPW-AREMUKBSSA-N 468.557 5.150 30 20 JKED Cn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nnc1-c1cccs1 608847496 ZUTBJVMNRRAWGS-UHFFFAOYSA-N 481.990 5.592 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)cc2F)c1 609123694 BILCMJXRGWEXBL-IBGZPJMESA-N 480.490 5.203 30 20 JKED CC1CCN(C(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)CC1 609206149 AMSZSJONBSXOJL-XMMPIXPASA-N 479.024 5.498 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 609378221 WHQHGOSSYZDZRA-UHFFFAOYSA-N 486.397 6.032 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1OC(F)F 609386984 CAECWDSNAXSTQW-GFCCVEGCSA-N 459.440 5.752 30 20 JKED CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 609415975 SSHQJMLJHKNBQY-GOSISDBHSA-N 486.359 5.430 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccn(-c2ccccc2F)n1 616335040 BJTIPODLUBQYQB-UHFFFAOYSA-N 477.336 5.146 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(OC(F)F)c1 616382775 CGCSGVXWCPNQNW-VIFPVBQESA-N 470.316 5.142 30 20 JKED O=C(CCc1ncc(-c2ccccc2F)o1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642157990 NJEZXONHPRXDMG-ITGUQSILSA-N 452.370 5.439 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccccn2)c(Br)s1 725728357 VNUAGVCBBYDXDH-UHFFFAOYSA-N 484.301 5.450 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S/C2=N\CCc2ccccn2)s1 726108943 NKOYBQVOFYGNLQ-JJUQZXHNSA-N 496.633 5.223 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(C3CCN(C4CC4)CC3)C2=O)cc1 726420401 LOLAYGLPRZWGNP-YSEZWBPPSA-N 496.702 5.073 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1 727655629 ZCWZSVNCEMRLDB-JLHYYAGUSA-N 494.041 7.118 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1 728424138 UZCWXYNKENGIIQ-VWLOTQADSA-N 498.608 5.255 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2)cc1 728476426 OEWHNHWWURXUNN-UHFFFAOYSA-N 459.461 5.403 30 20 JKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1C(F)(F)F 728667825 BZPSEPSALWCRJQ-HNNXBMFYSA-N 454.404 5.553 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCCCC#N)C1=O 728777761 NVIPYWNOEVHTAW-HXUWFJFHSA-N 489.428 5.956 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1OC 729430120 QQIKTCDRLPPPRW-FQEVSTJZSA-N 475.595 5.600 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 729630953 HRUUQWLMXDMOGO-RUZDIDTESA-N 498.583 5.843 30 20 JKED CC(C)c1nc(C#N)c(NN=C2CCCc3nc(-c4ccccc4Br)sc32)o1 730433258 JXRWSWYZNBRYRE-UHFFFAOYSA-N 456.369 5.708 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C1CCC1 730461179 LXRHDOLUTXESIB-QHCPKHFHSA-N 459.571 5.361 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCCC3)C2=O)c1 730534034 JMTILGGYNYYMSV-JOCHJYFZSA-N 485.581 5.054 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(C)c2)s1 730710606 OQJZZUQBLRWMKS-XLIONFOSSA-N 479.631 5.185 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 731060622 ZOHFJZQESNIRHW-GFCCVEGCSA-N 462.955 5.741 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 731082479 NUACRILWVWBPGZ-UHFFFAOYSA-N 464.521 5.613 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C(C)C)cc2)n1 731309080 SKTKYAAZBSSQPJ-DEOSSOPVSA-N 488.613 5.380 30 20 JKED CC[C@H](OC)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 744641464 NTTYFHGXIWVJQJ-MFUYTVRRSA-N 468.575 5.206 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2cc(C)ccc2F)cs1 745005813 LCZZGRBBRLDSCF-UHFFFAOYSA-N 461.975 5.249 30 20 JKED COc1ccc2c(c1)OC[C@@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)C2 747560723 FSKPTPWGPOPCTP-SUMWQHHRSA-N 459.354 5.553 30 20 JKED CCOc1c(OC)cc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1OC 750904906 YXLIBXBYMSIEAQ-KGENOOAVSA-N 493.987 6.278 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)cc1 799218758 FWIGRQIOBLNICC-MRXNPFEDSA-N 453.511 5.121 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799219384 RKTBWDSJLUILGE-OAHLLOKOSA-N 459.852 5.002 30 20 JKED O=C(O)c1cc(NN=Cc2cc(Br)ccc2OCc2ccccn2)ccc1Cl 818201391 VMOILHYAPWCOII-UHFFFAOYSA-N 460.715 5.221 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CC(F)(F)F 838487443 YUVZVVDAEKHFSY-KRWDZBQOSA-N 485.915 5.180 30 20 JKED CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102933 LJAQEUZHTHEXQI-OXDARVEISA-N 486.641 5.016 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2nccc3sccc23)cs1 915980323 TYUSAVVKOIPUJW-UHFFFAOYSA-N 461.494 5.902 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916205816 RLNVBRYABDPMQF-QGZVFWFLSA-N 497.335 5.163 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)c1 916206371 QQFRLQOCJKAHOP-JOCHJYFZSA-N 495.004 5.213 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccccc3)C2=O)c1 916208560 LEFJWJSLIAUDDT-HSZRJFAPSA-N 493.560 5.003 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC(F)F)cc1 916210990 KRJHWSSRESYCGE-OAQYLSRUSA-N 499.539 5.048 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)ccc1OC(=O)c1cccs1 916276898 NQOMKQNIXKJDNB-UHFFFAOYSA-N 470.963 5.059 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(OC)c(OCc3ccccc3)c2)cc1 916664880 SJZYSPSYLYDPDQ-UHFFFAOYSA-N 460.559 5.102 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cs2)cc1 916900664 REZKPWNESNZWDE-GOSISDBHSA-N 483.977 5.069 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 916911808 VCSMGPYYXBQVRY-NRFANRHFSA-N 462.933 5.451 30 20 JKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 916928180 IGHVQVFTSNWGSC-LJQANCHMSA-N 453.325 5.447 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 916955615 SHKUPMQJKMHGGT-UQBPGWFLSA-N 478.552 6.187 30 20 JKED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975816 GCOUQMZRCJJSRZ-VQTJNVASSA-N 482.005 5.776 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc2ccccc2n1 917423401 WZWAAQFPZAWDJN-HNNXBMFYSA-N 454.374 5.601 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cnn(-c3ccccc3)c2C)cs1 917560723 XHAMHJGKUHOMEZ-RAXLEYEMSA-N 462.962 5.871 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(F)cc2F)cc1 917612329 QBTHSZRQUCATAA-UHFFFAOYSA-O 464.561 6.351 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(F)(F)F)c2)o1 917657214 XQASTGYQAGVGTL-CFSSXQINSA-N 491.535 5.222 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(F)cc3)C2=O)cc1 917701889 AZQYTPRGVXHHDC-QHCPKHFHSA-N 472.545 5.166 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C2CCCC2)C1=O 917704469 IVEZLMDUYFHLDE-NRFANRHFSA-N 482.993 5.123 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccccc1C#N 917705035 SXJYYKTWZPVLQR-OAQYLSRUSA-N 485.009 5.289 30 20 JKED COc1ccccc1[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)NC(=O)OC(C)(C)C 917731815 JMQOZQUJKOAMGO-DEOSSOPVSA-N 471.557 5.230 30 20 JKED CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1Cl 917876965 VTOZYTPTXVNLCP-UHFFFAOYSA-N 490.368 5.160 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1 919908517 JDOJAWDKKABTEM-HELSZXIZSA-N 476.602 5.022 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccc(C(F)(F)F)cc2)C1=O 920170512 NNAZWMQWRPXUDG-INIZCTEOSA-N 490.334 5.280 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@@H]2CCCO[C@H]2c2ccccc2)C1=O 920358789 BFXBFIAIQSOAEL-GVUKDKGQSA-N 487.625 5.075 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 920803799 CPYKCHUDUCLMBZ-OAHLLOKOSA-N 480.521 5.216 30 20 JKED COc1ccc(CSCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] 920807042 WMYHCNRWQNDQMT-CYBMUJFWSA-N 475.498 5.115 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C(C)C)cc1 920869044 MUZRELZOQOSFOK-FDDCHVKYSA-N 483.634 5.061 30 20 JKED C[C@H](OC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C(=O)NC1(C#N)CCCCC1 920911181 CDASBLNAFNKWIE-AWEZNQCLSA-N 462.333 5.069 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1 929078915 VUJUQVURZGHBBE-UHFFFAOYSA-N 465.513 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)c4ccccc34)C2)C1 1778395274 PWYUPACBJSSTCZ-SANMLTNESA-N 499.449 5.038 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)cc1 1786334430 XCZWDJGMMCDJHM-IZZNHLLZSA-N 497.570 5.186 30 20 JKED O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1787877237 VXCWMNJTMFHKFN-UHFFFAOYSA-N 462.365 5.545 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)CCC2)cc1 1787885857 QQDORMHTDIWDFY-UHFFFAOYSA-N 460.484 5.078 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)C4(c5cccc(Cl)c5)CC4)cc3)CCC2)c1 1789107399 PUWVJMLXZBHCLX-UHFFFAOYSA-N 458.949 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789169139 SSSBGFMRKQWVQZ-HXUWFJFHSA-N 483.653 5.370 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CCC2)c(C#N)c1 1790265413 KEDVMHDMFNBSOO-UHFFFAOYSA-N 473.960 5.211 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5cc[nH]n5)cc4)CCC3)cc2)cc1 1790290012 ASTCHPZZMOQUHS-UHFFFAOYSA-N 461.525 5.010 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CCC1 1790464510 AOISPIATWUJKQX-NRFANRHFSA-N 474.992 5.679 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccccc5o4)CCC3)cc2)c1 1790763700 ICZIXHOMQUATCE-UHFFFAOYSA-N 453.473 5.505 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccoc4)CCC3)cc2)cc(C(F)(F)F)c1 1790787313 DJYJSBGEFXBILG-UHFFFAOYSA-N 481.474 5.551 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CCc3nc(-c4cccc(Cl)c4)no3)CCC2)cc1 1791586032 MJXPQUQNMXYDCH-UHFFFAOYSA-N 464.953 5.033 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5ncccc45)CCC3)cc2)c1 1792123983 WWPFJAWVYAWEJI-SFHVURJKSA-N 463.541 5.251 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(Cl)c4)CCC3)cc2)cc1C#N 1792168411 WZULKKCKTHIJOA-UHFFFAOYSA-N 488.975 5.455 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)CC4(F)F)CCC3)cc2)cc1C#N 1792168906 MTDIIEBWVYRZSN-XMMPIXPASA-N 467.516 5.138 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F)C2 1792572552 AUXJQFPCBRVXBD-ACDBMABISA-N 487.616 5.417 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(C)cc2)c1)c1ccc(O)cc1 1794591407 JLFPQJMHEOVWCJ-ZRIRBKMQSA-N 495.623 5.145 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)nc3ccccc23)c1 1797460441 NRDDAHIDPAMZRU-DVWBAYGPSA-N 472.976 5.081 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2c1 1798135062 JEEJWPPYBSOLQF-BCDXTJNWSA-N 477.349 5.066 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([C@H](C)C(F)(F)F)cc1 1801455819 XOICFTFYAUSWIM-QMZRJTEUSA-N 462.556 5.302 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 1804082863 YZHXCYKMCPYZFM-NUNAXRQHSA-N 489.701 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCc3ccc(C(F)(F)F)cn3)CC2)C1 1804858446 KJQLHRKBTAWPMU-UHFFFAOYSA-N 479.587 5.257 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(F)c(F)c3)CC2)[C@H]1c1cccnc1 1807334198 QUWZIYMGUHKGOP-GBXCKJPGSA-N 481.587 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807837522 SLJCJSSSMSJTDT-LSYYVWMOSA-N 496.655 5.764 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1809463461 NSLVDPVCMZTUNG-XUZZJYLKSA-N 480.052 5.465 30 20 JKED CC(C)c1csc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)n1 1810275577 YYHOJIAXVIKRHG-URXFXBBRSA-N 496.753 5.032 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)c4ccccc4c3)C2)CC1 1810761828 RXGOPYDCRSWSSU-IBGZPJMESA-N 483.450 5.659 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(F)c(Cl)c3)[C@@H]2c2cccnc2)cc1 1811788996 QTBKVFQDGYPSKA-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1812530572 HYAXTYABACCWNP-BWKNWUBXSA-N 483.534 5.101 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1812683346 NGOCFQKUVNVDKP-WIOPSUGQSA-N 493.529 5.495 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1813229576 UNPFYORPHQSDEN-HUROMRQRSA-N 480.052 5.374 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813975033 XLHRIGXQDYZJEL-UZUQRXQVSA-N 476.379 5.041 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)[nH]n1 1814440291 OLQHOOSKXKBECC-LJQANCHMSA-N 489.661 5.088 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)[nH]n1 1814444002 NJGARMFGEHTFKR-UKILVPOCSA-N 479.669 5.477 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)[nH]n1 1814828555 PCZUOKULIPNXDK-HSZRJFAPSA-N 468.573 5.410 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)CC3)n[nH]1 1817941368 XPBFLESDUDLXEG-JOCHJYFZSA-N 462.594 5.013 30 20 JKED COc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)[nH]c2c1 1818582914 LBJIHASXGYPADB-GKVSMKOHSA-N 496.571 5.146 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ncoc3c2)n[nH]1)c1ccccc1 1818748959 SCMNIWXSLIYIEU-ZJSXRUAMSA-N 481.556 5.054 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cc[nH]c34)n[nH]2)c1 1818773323 MSRKQGVJBVAGPE-SBUREZEXSA-N 466.545 5.138 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2Cl)[nH]n1 1819303020 QASZSPCQBAOMEO-GHTZIAJQSA-N 458.965 5.205 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)[nH]n1 1819553151 XGCSUQBIZQPMHQ-OAQYLSRUSA-N 482.625 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)[nH]n1 1819556133 VBDQIUNCALHEAF-FQEVSTJZSA-N 481.547 5.534 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820089708 OKRQVYICUPBVFO-FQEVSTJZSA-N 489.601 5.376 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4c(ccc5ncccc54)s3)n[nH]2)C1 1820093875 RLXZCWKWJJNWGE-NRFANRHFSA-N 471.586 5.445 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217960 LNBHGLZTOQOUDG-KKSFZXQISA-N 494.020 5.421 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)c1 1820526896 QBYPTJGFFOKBKJ-FQEVSTJZSA-N 485.441 5.059 30 20 JKED Cc1cc(C)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1820545646 LPDXJWTWOXAHKH-CYFREDJKSA-N 455.562 5.273 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821049148 YJJNEZUXJKKFJC-BJKOFHAPSA-N 488.588 5.081 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274548 HTYXNRUKPRJSIG-NRFANRHFSA-N 465.916 5.002 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1821275766 PGULODAKUTVZCC-QGZVFWFLSA-N 479.562 5.316 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Br)cs3)[nH]n2)c1 1821324530 ZUFCPEBYWRPRFU-SFHVURJKSA-N 498.406 5.034 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)[nH]n2)c1 1821325243 RMNAOXBJAACMCJ-QFIPXVFZSA-N 496.596 5.333 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)ccc2[nH]1 1821586966 ZHNHJRPOEZFRDZ-CRICUBBOSA-N 480.572 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(O)cc2Cl)n[nH]1 1822310217 VKSOFWNOTINNIE-BKVXWFHVSA-N 468.985 5.243 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1822579788 IKPFLCQCCRUBKZ-DEOSSOPVSA-N 469.589 5.280 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1822584759 ABAQLJVPTJIUEP-IBGZPJMESA-N 465.356 5.355 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212735 MXMNJCKFFSFBKC-HJPURHCSSA-N 475.980 5.618 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4nscc34)[nH]n2)c1 1823216250 FEQSSUJNLWNXNA-MWTRTKDXSA-N 484.585 5.266 30 20 JKED Cc1cc(F)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1823316215 CMUXPXSXFJZJLB-HXUWFJFHSA-N 465.916 5.002 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2SCC)CC1 1823754150 YSIMSGYLOIVITN-NRFANRHFSA-N 457.684 5.419 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3Br)CC2)cc1 1823930779 YNRSXQUJCRBPAE-HSZRJFAPSA-N 498.396 5.007 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824267716 IOSOPSDMUVMSPQ-MHZLTWQESA-N 496.692 5.660 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)CCC1 1824836800 DYSGIHXGGKBQSM-UVIRAJKCSA-N 473.539 5.032 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1826400965 LPCMUQQAWXKOEW-MUUNZHRXSA-N 465.597 5.187 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1826693198 ATBXLZUAWGQZBZ-XUZZJYLKSA-N 481.040 5.165 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3C(C)(C)C)CC2)c1 1827298243 OMUGUIFGQUKKIS-RUZDIDTESA-N 472.633 5.106 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2Cl)CC1)c1cccs1 1827683212 XRIMTQJMCJCECA-IPLHWJFFSA-N 477.051 5.135 30 20 JKED COc1cscc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1827912406 WZKLGECGOIUJPR-QFIPXVFZSA-N 474.743 5.041 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c1 1828132472 MFTJNGFQNKFZIJ-QHCPKHFHSA-N 472.614 5.024 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1828459330 LURDNLBHUQMBCI-BYWXWQNBSA-N 459.675 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)CC1 1828830094 KQYCMPQFCDPRCP-OCGNDDQESA-N 464.650 5.487 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 1829069055 HYAAKUKPLYEEFV-DEOSSOPVSA-N 463.622 5.567 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1Cl 1829140260 XBBYEQITZAGKIL-LJQANCHMSA-N 492.929 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829354128 VDJSTGFNSKTLFQ-IRLDBZIGSA-N 463.544 5.102 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829838729 URDZNCOKHSPARU-IBGZPJMESA-N 495.567 5.071 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)c1 1829955540 VHUSAODAOHHYNQ-NDEPHWFRSA-N 465.597 5.187 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830054088 MGYNGHAAOXPVQO-HSZRJFAPSA-N 469.507 5.124 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1830682387 CRCWCIIWBSVGIV-MUUNZHRXSA-N 496.655 5.657 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830755395 DNZGCYMBSJQALW-XMMPIXPASA-N 483.534 5.433 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccoc4cn3)CC2)c1 1830822348 FUMRKRDHKNYXNN-UQBPGWFLSA-N 470.573 5.002 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830988393 XLJCXMNBKVAFLW-QFIPXVFZSA-N 496.449 5.385 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1831446770 QQUGWZYTWJEKMC-QHCPKHFHSA-N 489.607 5.178 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1C 1831715159 WWTCBSFVWCILLY-AREMUKBSSA-N 496.768 5.217 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831790971 LEZCWWIQIHEBRX-KLFPRNLRSA-N 498.667 5.313 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1832029493 CTNCFYXNJBHVRU-MUUNZHRXSA-N 496.655 5.657 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cccnc34)CC2)c1 1832632388 ONEDFMCSCIFVDO-ZBLYBZFDSA-N 480.612 5.409 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)CC1 1833079274 UJCBCSJTVDQSLO-SANMLTNESA-N 485.688 5.129 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)c3cccs3)CC2)CC1)c1ccccc1 1838417557 FKAYWPLHVCJKDG-BKMJKUGQSA-N 492.685 5.047 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 1838422730 JUTBGBOYRZYFEF-UHFFFAOYSA-N 487.493 5.660 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1844203509 VELNMROWZZIQNH-TZIWHRDSSA-N 466.025 5.213 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)Nc1ccccc1C#N 10143129 YPQJZMIHMQAKOG-QGZVFWFLSA-N 473.989 5.638 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nc2sc(C)c(C)c2c1=O 10658458 XSJXYNIQRGNWET-ZDUSSCGKSA-N 457.650 5.318 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10759199 MTWAIHUKUCPPIS-UHFFFAOYSA-O 491.986 6.999 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2Cl)cc1 10826871 MMSYANNKXNQXRJ-UHFFFAOYSA-O 459.969 6.254 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(N(C)C)cc2)cc1 10832694 FUYMMURVOKEURL-UHFFFAOYSA-O 453.031 5.868 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2CC)cc1 11078013 ZUIHLGQUAOXGBT-UHFFFAOYSA-O 458.434 6.457 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)cc1 11159505 WVPQTUKSRKELLW-UHFFFAOYSA-O 474.433 5.948 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2OC(F)F)C1=O)Nc1ccccc1F 12728368 IGRJSYNATUSTPV-OAQYLSRUSA-N 499.514 5.588 30 20 JKED Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccncc1 15220050 FGZHMKVHDMDUAF-UHFFFAOYSA-N 495.395 5.547 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 17270532 HUGXOZUKVPJTQQ-UHFFFAOYSA-N 451.042 5.363 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nc2cc(Cl)ccc2c1=O 21831452 YUDOSFZJWNRTOV-AWEZNQCLSA-N 462.402 5.625 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc(Cl)cc1Cl 21848204 ZMWMTIQPGBZNFH-KRWDZBQOSA-N 479.458 5.955 30 20 JKED CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(Cl)cc1 21848814 AOLNJTIFVZOZFG-GFCCVEGCSA-N 458.012 5.160 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)nnc1-c1ccoc1C 21990268 JSMGOPYGZVLRQA-UHFFFAOYSA-N 466.632 5.730 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 27080180 LRBADRVVEHIYIV-QGZVFWFLSA-N 485.009 5.064 30 20 JKED CCOc1ccc(-c2nc(C)c(/C(O)=N/c3nc(CN4C[C@H](C)O[C@H](C)C4)cs3)s2)cc1 28934578 UPPCXYSPVGMMIH-GASCZTMLSA-N 472.636 5.219 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1OC 60383419 QVJUJGREGRTTPH-UHFFFAOYSA-N 472.570 5.663 30 20 JKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 107805812 PZGWPYYXSYRAGO-UHFFFAOYSA-N 496.479 6.015 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 108371163 YLXUAYAEMOFGDY-UHFFFAOYSA-N 471.944 6.211 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 108854418 MAITURWQEMJJMF-UHFFFAOYSA-N 470.323 5.009 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 108942654 MYIODABICKSPIQ-GOSISDBHSA-N 460.375 5.244 30 20 JKED O=C(NCCCOc1ccccc1F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 115591159 PIKRYMWPFVYXOB-UHFFFAOYSA-N 475.364 5.248 30 20 JKED C#CCN(Cc1ccc(F)cc1)Cn1nc(CSc2nc3ccccc3s2)n(C)c1=S 302941889 BHCWJQQZHOSRGY-UHFFFAOYSA-N 469.636 5.085 30 20 JKED C[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@H](c2ccccc2)O1 303204489 PBWAIHKOJDDHTL-AVRWGWEMSA-N 461.949 5.785 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 481131315 MMBRHBFLPMYSGD-UHFFFAOYSA-N 493.394 5.470 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1[C@@H]1COc2ccccc2O1 483240969 PLYOTIPRESGOLI-FQEVSTJZSA-N 468.485 5.202 30 20 JKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1Cl 489284539 BMTUQNLFAXBYSK-KRWDZBQOSA-N 477.948 5.651 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)cc2)cc1 490902331 UIOQSACSVYIKPZ-UHFFFAOYSA-N 486.535 5.920 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 493620695 NEGVDCZPOBVWGQ-UHFFFAOYSA-N 493.829 5.305 30 20 JKED C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccccc1OC(F)F 499351106 QAPBROBRUXLLIG-LLVKDONJSA-N 493.354 6.002 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502584831 LSJDACDBWADEBA-UHFFFAOYSA-N 479.540 5.413 30 20 JKED COc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)ccc1OCc1ccccc1Cl 504699332 GKWIXGBMQPAVRY-UHFFFAOYSA-N 459.980 5.561 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c12 515446774 BRKWVMYCVQDRHW-UHFFFAOYSA-N 465.513 5.429 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 515956379 AEMQFWBNBASCPU-UHFFFAOYSA-N 485.403 5.243 30 20 JKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516019608 SOSJHBOFTCZOBA-KKSFZXQISA-N 466.368 5.807 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c1 516540338 NSPXDNANMVLLPU-QHCPKHFHSA-N 482.584 5.523 30 20 JKED Cc1sc2nc(CCC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)nc(O)c2c1C 516815986 OJTIFUAAORJAAR-UHFFFAOYSA-N 472.570 5.230 30 20 JKED CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)nc1C 517347979 PLHQWKTWASBCDW-UHFFFAOYSA-N 494.642 5.146 30 20 JKED COc1cc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1OCC(F)(F)F 517374546 XMSARDGPGJHNCW-UHFFFAOYSA-N 486.515 5.730 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Br)cc3OC(C)C)n2)cc1 517800953 RYBKDWUMDXFZLV-SFHVURJKSA-N 471.376 5.858 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 518151654 PXRSSPMLLVTFRZ-VWLOTQADSA-N 479.540 5.228 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1C 518913082 OGZYDUHGGOCVEN-VWLOTQADSA-N 476.024 5.301 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 519106059 NBSRXOTVOOXJIR-OPAMFIHVSA-N 481.980 5.833 30 20 JKED COc1cc(Br)c(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 519199294 WNIHMEKNLSRTCF-UHFFFAOYSA-N 482.334 5.452 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(COCc4ccco4)c3)cc2)cc1 521366959 WIOBMTBCMPIHHA-UHFFFAOYSA-N 453.498 5.982 30 20 JKED N#Cc1cc(NC(=O)C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)ccc1Cl 521387985 QDDAMJHRNZPYMF-UHFFFAOYSA-N 458.732 5.363 30 20 JKED C[C@@H](c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1)N1CCOCC1 521503780 KGMDDILSCCKFOE-FQEVSTJZSA-N 457.599 5.496 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1Cl 521543800 XBPFGEOAEIBXHN-NOZRDPDXSA-N 457.961 5.592 30 20 JKED C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2[N+](=O)[O-])C1 521800461 NKWYJGKOXXOEQT-FGTMMUONSA-N 452.580 5.724 30 20 JKED CCN(CC)CCn1ccc2cc(NC(=O)c3occc3COc3cccc(C#N)c3)ccc21 523997413 XXFUYQQPWYPFQC-UHFFFAOYSA-N 456.546 5.279 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)o2)cc1 524433174 QYJFDQSHDUIDFQ-OAQYLSRUSA-N 450.479 5.216 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 569508222 NPHQVLHDGYWLFE-MRXNPFEDSA-N 481.480 5.593 30 20 JKED Cc1cccc(OC(F)F)c1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 588039649 LITVHKLEXLQVLU-UHFFFAOYSA-N 473.316 5.731 30 20 JKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589679780 PZFFGLHBRPAJAK-OKILXGFUSA-N 462.356 5.509 30 20 JKED Cc1c(C#N)c(NC(=O)CCn2cnc3scc(-c4ccccc4)c3c2=O)n(Cc2ccco2)c1C 590612269 IIHSRZLCEZQXTP-UHFFFAOYSA-N 497.580 5.085 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccccc2COCc2ccccc2)o1 603892032 XTLAKGPVRJBFHS-UHFFFAOYSA-N 452.510 5.377 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604090329 UPMVGYWKKXNONL-UHFFFAOYSA-N 476.964 5.808 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604157495 URIQWUNPCSANAI-LJQANCHMSA-N 486.786 5.899 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1Cl 604207323 BXAXBYOVLKIKCL-UGKGYDQZSA-N 498.970 5.481 30 20 JKED Cc1sc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c(C#N)c1C 604446178 YUORSDZFFSKSEK-UHFFFAOYSA-N 452.376 5.371 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cs1 604510563 GLADHKRZUBAWRY-UHFFFAOYSA-N 473.646 5.024 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c(C(F)(F)F)c2)n1 608918107 LGLGYYZAOWFTOJ-UHFFFAOYSA-N 469.511 5.500 30 20 JKED COc1cc([C@@H](C#N)NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)cc(OC)c1OC 609008358 ZFQOLQLFQVYVJY-HXUWFJFHSA-N 493.629 5.586 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(-n4ccnc4)c(F)c3)cc2Cl)c1 609079464 DSMHOMZEJMOQLG-UHFFFAOYSA-N 475.911 5.437 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1I 609090052 VWEKMOGIBZBUMF-GFCCVEGCSA-N 486.256 5.718 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 609376852 KLSPUUDVRDVPQX-RBUKOAKNSA-N 491.638 5.331 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609403304 LNLFWBNPXFHBDK-HOTGVXAUSA-N 464.616 5.186 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1csc2ccccc12 609404456 HSYWCWQTXQVILV-UHFFFAOYSA-N 463.506 5.181 30 20 JKED C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Oc2ccccc2)c(F)c1 609421207 ZSZCWCHGHOATFZ-FQEVSTJZSA-N 459.521 5.522 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1 609435609 BAQJCQKEWUTEPZ-YADARESESA-N 451.636 5.731 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3c[nH]c4ccc(Br)cc34)s2)cc1 609579131 ZLAVOXIIPWMTCJ-UHFFFAOYSA-N 470.377 5.198 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404610 PBCAFTCUUBHJBP-GFCCVEGCSA-N 465.522 6.160 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 617895965 FHJPOVBWDDDRLV-OAHLLOKOSA-N 484.050 5.533 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nnc1-c1cccc(C)c1 617940283 GOCWZNSEOUKYSM-KRWDZBQOSA-N 485.451 5.341 30 20 JKED O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618466462 HSVNZOCPFWHZOS-HLIPFELVSA-N 497.426 5.494 30 20 JKED COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)[C@@H](C#N)c3nc(C)cs3)cc2c1 620347545 LYYZAXRQDFBTKF-HSZRJFAPSA-N 464.550 5.956 30 20 JKED CCC1(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CCC(F)(F)CC1 622517276 FIDDJXDGJRCULQ-MRXNPFEDSA-N 473.404 6.230 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1C 642282149 OLUUTVQPFJSJNP-INIZCTEOSA-N 495.548 5.144 30 20 JKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642684086 XYSUKPAWQWOQRP-ITGUQSILSA-N 493.370 5.318 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S/C1=N\CCc1ccccn1 726109615 OQZSQLMIFGWOSG-LECRTAGSSA-N 499.851 5.323 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)cc(C)cc2C)cn1 726110699 HMCNDCNKVHGTSO-QHCPKHFHSA-N 493.608 5.128 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726112144 MMCYKANVNSSIER-FOIQADDNSA-N 485.610 5.134 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccccc2)C1=O 726113615 ZHWMAWVCKTVHRK-SBGXGKRISA-N 493.032 5.115 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 726397782 IZMIYBJSGHIHPT-KXBFYZLASA-N 494.444 5.687 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC(F)(F)F)cc1 726416426 WCEGPSIHKCTJLP-GOSISDBHSA-N 483.487 5.136 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C)s2)cc1 728422256 GCCLWRWEWMXBSW-JOCHJYFZSA-N 490.610 5.097 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 728423061 OHMIKNUFBQKKPP-AOMKIAJQSA-N 489.988 5.328 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2CCCCC#N)c1 728777939 ANVJPQMONGLEPR-NRFANRHFSA-N 499.423 5.629 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2CCCCC#N)cc1 728778641 TZSPFFDZNWQISV-QFIPXVFZSA-N 493.589 5.372 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 728780652 WESODKIOGDMTDC-HXUWFJFHSA-N 489.428 5.325 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3scnc3C)C2=O)c1 729141491 AHMRBWVAOWAVMN-OAQYLSRUSA-N 478.643 5.537 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 729365006 GFUNHTDCEHEUNB-INIZCTEOSA-N 476.554 5.535 30 20 JKED COc1cc(-c2cc(C(=O)N(CCC#N)CC(C)(C)C)c3ccccc3n2)cc(OC)c1OC 729445291 HBTCIDXAHPUQSD-UHFFFAOYSA-N 461.562 5.330 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ncccc2C)C1=O 729634858 VNFHAZVVBFWATD-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ncccc2C)cc1 729634923 WYNMPCVXGIKGEA-DEOSSOPVSA-N 488.613 5.122 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 729888246 JHXPGAMOGMIYRB-LBPRGKRZSA-N 453.734 5.831 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 729891022 VQEVKANFWLCOCM-RTWAWAEBSA-N 459.546 5.414 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3sccc3SC(F)F)cc2Cl)c1 730494302 OBBSIVGQEZANMZ-UHFFFAOYSA-N 450.919 6.419 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(C[C@H]2CCCO2)C1=O 730537422 QULYDQNWNJBJHI-XXBNENTESA-N 499.608 5.062 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N([C@@H](C)c2cccnc2)C1=O 730943829 LCKRCYYUCYIDFY-GAJHUEQPSA-N 492.576 5.259 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 730993908 FTUPKSNGUSDPKF-UHFFFAOYSA-N 479.505 5.159 30 20 JKED Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731074260 NCVALORGCRSRRE-HNNXBMFYSA-N 453.589 5.203 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)s2)n1 731075972 QLKJOKPHZXTXRT-LBPRGKRZSA-N 478.020 5.715 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccccc2Cl)n1 731079642 FUZDMKNCGNSHCZ-AWEZNQCLSA-N 471.991 5.511 30 20 JKED CCOc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)cc1F 731307101 PLSOHCWFXGDDHU-QHCPKHFHSA-N 493.560 5.091 30 20 JKED CCOc1ccc(OCc2nn(CN3CCC(C#N)CC3)c(=S)n2-c2ccc(C)c(Cl)c2)cc1 747078785 DKQFWWXZHDHQJP-UHFFFAOYSA-N 498.052 5.536 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cc1 748179534 CYQPYSGLNOWJLJ-MRXNPFEDSA-N 483.442 5.302 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 750842200 DONKDKJBWQQRRE-ZSOIEALJSA-N 481.552 5.250 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(CC(F)(F)F)C2=O)cc1 799215708 WQWGOILMQLBWMK-IBGZPJMESA-N 479.524 5.225 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1C 800723332 HVOIHNDBLUZRFE-UHFFFAOYSA-N 496.036 5.501 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 818269471 BLYLCXNWSKJIOQ-UHFFFAOYSA-N 465.560 5.282 30 20 JKED N#Cc1cccc(COC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)c1 818697654 VVXXXDOYBTUAMO-UHFFFAOYSA-N 454.433 5.243 30 20 JKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 824940873 DFIRLYYBCQYAEJ-HZPDHXFCSA-N 462.575 5.362 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N([C@H](C)c2ccccn2)C1=O 837381834 PGVYOPXASZUNJT-JPYJTQIMSA-N 474.586 5.120 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837388951 ULUVJVOTCJSCFL-VGOFRKELSA-N 462.550 5.251 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccs3)C2=O)cc1 837545443 ASBUFXSAOZFWHL-OAQYLSRUSA-N 465.600 5.307 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 838076149 QLIDHLXKWGUHNN-QRQCRPRQSA-N 496.539 5.090 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)c2)c1 913118479 UUQGTWCRTMVMPU-DEOSSOPVSA-N 486.597 5.114 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@H](C)C2CC2)ccc1Cl 914688026 MYMVPQPLFQDYCK-MRXNPFEDSA-N 477.001 5.264 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2cccs2)c1 914691060 LCFAQDZBVFSFHG-AOMKIAJQSA-N 497.617 5.487 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 915101083 CJMVFGSRFFDSEJ-IBGZPJMESA-N 478.961 5.721 30 20 JKED Cc1cc(=O)oc2cc(OCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc12 915102799 HRJZJZKHMACSCK-QGZVFWFLSA-N 485.348 5.787 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@H](C#N)c1nc2ccccc2o1 915105255 XKZBVAZTFVIMNM-HOCLYGCPSA-N 486.578 5.703 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(CC(=O)O)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 915989904 GMSPGSXKQAROMA-ONNFQVAWSA-N 497.906 5.028 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1C 916208103 TXASVMUSVSUFGT-LJQANCHMSA-N 463.525 5.693 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccc(F)cc2)cc1 916214222 LFGFHTDQBSJDNR-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCCC1 916215506 HJICMCGEVDYMSF-FQEVSTJZSA-N 475.536 5.917 30 20 JKED N#C[C@@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)C(=O)Nc1ccc(SC(F)F)cc1 916886565 IJESQUDLMBJOJA-ZDUSSCGKSA-N 482.484 5.013 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)Nc1ccccc1Cl 916911518 MJKFGLNHLXGYPR-HXUWFJFHSA-N 477.898 6.047 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)cc1Cl 916940721 WHPBPDMMSMCKOE-GWCFXTLKSA-N 457.766 5.484 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 916952153 HFSALXSXZIVSFW-QGZVFWFLSA-N 459.449 5.107 30 20 JKED CCOc1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1=O 916977484 SPEVBXQZHDLVGU-FUHWJXTLSA-N 465.962 5.092 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917043682 MQXRCAKXQFSPGY-PGRDOPGGSA-N 452.457 6.312 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046181 HAPGTUNJZKWCBL-CABZTGNLSA-N 452.750 5.251 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 917505172 KJIUFDZDURWOKI-LECLMCCNSA-N 480.973 5.795 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 918443356 DVTNVHRIKALKFE-VWLOTQADSA-N 478.527 5.217 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(F)c(Cl)c1 920109902 KRVDCFSHBYNVGO-LLVKDONJSA-N 454.335 5.208 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO[C@H]2c2ccccc2)C1=O)Nc1ccccc1 920356350 SVJRCXSFFZGTQC-LNBJVWSJSA-N 499.636 5.815 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1781741147 KXPXAWFMCFKTNW-SMTRDTIPSA-N 497.463 5.120 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCc2ccccc2)C1 1783206982 AXNGVINQOOMCOK-VAVYLYDRSA-N 481.681 5.023 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)cc2)CCC1 1785798139 NXRXDEQLDLQSGV-PXNSSMCTSA-N 491.579 5.120 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1785841989 AKNSMQQXNVYFQP-UHFFFAOYSA-N 483.653 5.370 30 20 JKED CSCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1786409512 BKJVDSZPNHHFHB-VAWYXSNFSA-N 456.633 5.010 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(F)c3)cc2)CCC1 1788375011 QMKZSEWNQDFELJ-LJQANCHMSA-N 488.563 5.436 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)SCC(=O)N4)cc2)CCC1 1788523440 GUYVYNIFCSZPAL-NRFANRHFSA-N 475.614 5.247 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc4cccnc4s3)CCC2)cc1 1788649580 LTNFLSMISDDRJB-ZHACJKMWSA-N 487.606 5.545 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1789454802 DCYRZHXVYPNJGY-YADHBBJMSA-N 469.626 5.192 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)cc2)CCC1 1789990513 AQYYSNRILUSKSI-UHFFFAOYSA-N 462.553 5.391 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4occc4n3-c3ccccc3)cc2)CCC1 1789994540 GYEKWKMAUKCROZ-FQEVSTJZSA-N 498.583 5.772 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnco5)c4)CCC3)cc2)c1 1790258851 QRDIFBPXKWCUFS-UHFFFAOYSA-N 462.509 5.275 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)on4)CCC3)cc2)ccc1F 1790521045 HXZSQQUZTIQZKU-UHFFFAOYSA-N 494.526 5.343 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCCC4(F)F)CCC3)cc2)cc1 1790707001 BCUSHPKLMTVGQQ-VWLOTQADSA-N 469.507 5.418 30 20 JKED Cc1nscc1C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1 1790744734 QGSYFMLBKYZOSC-UHFFFAOYSA-N 495.402 5.147 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](c3ccccc3Cl)N(C)C)cc2)CCC1 1791129888 HDPRBRIYLIQAFI-RUZDIDTESA-N 484.040 5.060 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791244696 YAWBXTSPUAJLHE-KNQAVFIVSA-N 469.626 5.122 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(OC)c3Cl)CCC2)cc1 1791296545 ZBSXQAWNWZFZLD-UHFFFAOYSA-N 478.923 5.316 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnn5c4)CCC3)cc2)c1 1792127134 QCHDBHZRUFHLMY-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(F)c(Br)c1 1799824852 WNBKSRARUWUHEY-REPLKXPHSA-N 479.434 5.151 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1802374249 WMHKFXFJKRRUBV-GBXCKJPGSA-N 479.024 5.528 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1803077971 OFRNOVAQXVOJKX-LEAFIULHSA-N 482.628 5.473 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1803084617 UEUZDMLAAQBMRA-SQJMNOBHSA-N 477.008 5.304 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1 1803830923 LWDJRYIKRKBMRL-BKFWDETESA-N 469.972 5.444 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3sc(Br)nc3C)CC2)C1 1804858482 GGVQZHQEAZRCFK-UHFFFAOYSA-N 482.488 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccnc(C(C)(C)C)c3)[C@H]2c2cccnc2)c1 1804863010 YOAWFKVMTHWELT-CMTYHFORSA-N 495.627 5.035 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)C2)CC1 1805894575 RJPHYAMCSGFKSB-VWNXMTODSA-N 497.680 5.004 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)C1 1806066741 WRHLRZZTQBSWNQ-HXUWFJFHSA-N 465.084 5.354 30 20 JKED N#Cc1cc(C(=O)N2CC[C@H](CNC(=O)CCC3CCCC3)[C@H]2c2cccnc2)cc(C(F)(F)F)c1 1806207158 QFYOBGMMNAKKAB-PXDATVDWSA-N 498.549 5.262 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1810171439 FRGQSMSBCAVQBM-BXTSTYNKSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1810173415 IVQLZVYUJVVPDE-BKSPAHHJSA-N 477.992 5.569 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@@H]1c1cccnc1 1810175045 WBWIMFZJQHGNOA-SGIRGMQISA-N 463.647 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(OC)c2)[C@H]1c1cccnc1 1810504111 XGUYWWUDPGPKCV-CVDCTZTESA-N 470.013 5.056 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)oc2ccccc12 1811747019 YNEKHSPMFJIWOM-CJFMBICVSA-N 498.970 5.295 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1812592650 SCEPLWLPHPPCMN-HTLVZCCDSA-N 469.629 5.394 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1812669485 AYLQTOGXUCKSFY-IIBYNOLFSA-N 489.975 5.481 30 20 JKED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2c2cccnc2)CCC1 1814058882 UEJOPRZYCXQMJH-MGPUTAFESA-N 491.806 5.055 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)[nH]n1 1814443316 SKCVPTVOSZLYPI-MRXNPFEDSA-N 465.520 5.065 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CC3)n[nH]2)c1 1814471101 OSPBPZXVDSRYGP-DVECYGJZSA-N 467.573 5.074 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c(F)cccc2Cl)n[nH]1 1814670519 LSCBVXFCRICYED-IIBYNOLFSA-N 458.965 5.205 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814738372 AJWQUMRIKIAKES-UTKZUKDTSA-N 493.658 5.149 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1815246465 LSBQSOHWRZRGLC-WMZOPIPTSA-N 488.963 5.342 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1)C(F)(F)F 1815684002 FYUIKNMVWJGHFN-GOSISDBHSA-N 484.906 5.033 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(Cl)s3)n[nH]2)c1Cl 1815731050 LFXJMGACANXXMA-KRWDZBQOSA-N 488.400 5.198 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(OC)cc2)n[nH]1 1816794254 ODLYVMOUCUYCSG-JOCHJYFZSA-N 452.599 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H]2CNc3ccccc3C2)n[nH]1 1817374052 VJMZDCLCVXKJLD-YKSBVNFPSA-N 477.653 5.459 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1ccc(C(F)(F)F)cn1)CC2 1820097160 VEBNJBWRDNTGRY-QGZVFWFLSA-N 494.583 5.094 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Br)c(Cl)cc3C)n[nH]2)C1 1820180637 IMMBWTVZSLFYAH-LJQANCHMSA-N 491.817 5.406 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c1Cl 1820220967 KSTKMLLTXBMMKQ-VWFIUDSGSA-N 465.985 5.067 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)[nH]n2)c1 1820484930 UTOCENIRIQQCSR-VWLOTQADSA-N 491.551 5.693 30 20 JKED Cc1nc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)cs1 1821151493 OFVWKJFLRIDDJN-VWLOTQADSA-N 495.608 5.194 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)[nH]n2)cc1 1821181578 MWRYUQLRLZRIOC-OFNKIYASSA-N 487.991 5.165 30 20 JKED CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821308967 RAVOILXDBZYJQN-IFXJQAMLSA-N 461.488 5.042 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1821986260 RIZHZBXOOURKFE-FQEVSTJZSA-N 483.494 5.128 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)nc3)[nH]n2)c1 1823210627 DZOXNFYKDMQPCX-QRWLVFNGSA-N 496.493 5.070 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823213232 RRGWZXYSQZRSIT-OXQOHEQNSA-N 477.590 5.117 30 20 JKED Cc1cc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1F 1823215907 KCFYIKYWIAEIDE-HJPURHCSSA-N 477.515 5.243 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1824500214 WGDHFMCLWPRRDZ-XMMPIXPASA-N 481.662 5.026 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1Cl 1824642849 XARFEKUGTJMOGQ-NNAHLOSHSA-N 493.957 5.178 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825092417 RETAOAMNOBGKMW-GTPZACKGSA-N 459.634 5.569 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C[C@H](C)c4ccccc4)sc3C2)c1 1825369369 OGXZMEIQEHSXLG-NJNPRVFISA-N 472.614 5.190 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1825541102 CCKCZCLKBFUXLY-FPOVZHCZSA-N 495.998 5.338 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1825786158 KZKNAUHKDKWULP-QHCPKHFHSA-N 479.646 5.263 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1826950726 HVJCEQLZQGWPMA-WNCULLNHSA-N 479.709 5.663 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1827492738 AYWWDOBIHQCPQW-NRFANRHFSA-N 471.045 5.394 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166134 JNURJABSIPVMJG-NDPRVOFDSA-N 498.048 5.500 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828168923 DVEXANBHBCFFRM-MHZLTWQESA-N 473.661 5.333 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828676419 ULFYUWMCJJXMGB-NZQKXSOJSA-N 451.636 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1828821953 ABKZRSMQEUWFMY-AHKZPQOWSA-N 477.624 5.823 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 1828825684 XJRKUGMWFSETFT-YKSBVNFPSA-N 461.021 5.410 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1828830054 QUZZNMGVOYZKPZ-WIOPSUGQSA-N 486.056 5.300 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828886446 NZUDYINWDHXLHE-RPBOFIJWSA-N 498.067 5.003 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1828906954 REYMNQFMJWJESB-MHZLTWQESA-N 491.752 5.381 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 1829069087 JDVIXGCYUPWXPG-FQEVSTJZSA-N 465.560 5.326 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ncsc3[nH]2)CC1)c1ccccc1 1829131790 XBXSPESZOIPSKX-DHLKQENFSA-N 488.657 5.055 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830452155 SGPNSXVQZLDWJK-IZZNHLLZSA-N 493.598 5.668 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)CC1 1830637796 VMKYZYKPUCESSO-DEOSSOPVSA-N 463.622 5.567 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1830710478 VORZBGZEMQDAGY-WOJBJXKFSA-N 496.599 5.055 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830719462 ZBGASUIGIPOZHF-VGSWGCGISA-N 485.650 5.173 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(C)cc2Br)CC1 1830804585 IEPWNDPSTOLXPN-OAQYLSRUSA-N 497.474 5.049 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1831371065 SVGLMJWRVNEZLR-UQBPGWFLSA-N 481.587 5.472 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1832025976 HIZPDIMEPZBDND-LZBANZJXSA-N 454.577 5.168 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)ccc3OCC)CC2)CC1 1838423931 SOUWWZFBCCWCCS-UHFFFAOYSA-N 491.072 5.343 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Br)c(OC)cc3o2)C1 1845614414 VZUFQGSZTPABKR-UHFFFAOYSA-N 489.410 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)C3)c1 1846829272 YBLJJLRIDGASQG-MRXNPFEDSA-N 489.925 5.046 30 20 JKED C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 9813365 ULLICKHHQUAMKH-CFRMROPGSA-N 450.318 5.150 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(OCC)cc2)cc1 10173952 NPFVJDAPGLQVPZ-UHFFFAOYSA-O 461.651 6.500 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)c(Cl)c2)c1 11159264 RWULMLZDIIRUNR-UHFFFAOYSA-O 452.333 5.918 30 20 JKED Cc1ccccc1-n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(Cl)cc1 11198250 FMAJHSHMOLOKBY-UHFFFAOYSA-N 465.991 5.560 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F 11248982 XAGBNKMEASQYLR-UHFFFAOYSA-O 459.488 5.460 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccccc2CC)cc1 11252118 KMACVWUYOPPANC-UHFFFAOYSA-O 469.533 5.042 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 11265165 YQIQXSVNHRMGGA-UHFFFAOYSA-O 465.708 7.124 30 20 JKED C=CCN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1nc2c(s1)CCCC2 15969120 AKZFKUWCYGDLFS-KDURUIRLSA-N 467.635 5.023 30 20 JKED COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1Cl 16406624 GOXIUKWAFVJFSD-PKNBQFBNSA-N 466.877 5.170 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(CC)cc2)c1C 22729839 ZVOFULBSUYNATG-UHFFFAOYSA-O 478.638 5.326 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)cc1 22731372 QJPXWGVBJOJXEF-UHFFFAOYSA-O 467.561 5.581 30 20 JKED O=C(CSc1nc(-c2ccco2)nc2ccccc12)NCC#Cc1cccc(C(F)(F)F)c1 28662340 HXJBAFXVFDKKMS-UHFFFAOYSA-N 467.472 5.169 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)nnc1-c1cccc(C)c1 29571851 OSKCRUSCOYBXGC-UHFFFAOYSA-N 491.400 5.264 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)nnc1-c1cccs1 32175300 SBBPTZRKNVULHL-UHFFFAOYSA-N 480.594 5.176 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1C 32290098 NENSXNSKQBBDTO-UHFFFAOYSA-N 469.570 5.066 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 107647291 DEYBPXSUFPATDA-ZJSXRUAMSA-N 480.395 6.042 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 107882328 XPCZGKSQBVCLLF-UHFFFAOYSA-N 493.279 5.697 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(C)s2)c1 115068144 YDHADYCUAQEDQO-UHFFFAOYSA-N 461.996 5.047 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 302954892 FLFYLVVHXSMVKE-UHFFFAOYSA-N 451.473 5.005 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 303288510 LXSWOWNSENNMDK-QGZVFWFLSA-N 475.599 5.510 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 303340398 LMKIUHIJHDWKRO-HNNXBMFYSA-N 481.437 5.036 30 20 JKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccs1 481202935 SHYHGZNXFRMYLL-XMMPIXPASA-N 479.577 5.570 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CC1 501163790 KEAZASXBSLSCNJ-UHFFFAOYSA-N 498.974 5.088 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3cccs3)CC2)cc1Cl 510023875 OAGICTKOYZREBY-QFIPXVFZSA-N 450.995 5.407 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 511335666 VPRLASXUBSFZLV-ZCYQVOJMSA-N 473.960 5.306 30 20 JKED COc1cccc(Oc2ccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)cn2)c1 512854553 KBMYKVDIHNRRHM-UHFFFAOYSA-N 451.526 5.623 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 514424813 NMVOCSNIEVGDDN-MMBGETBOSA-N 486.616 5.350 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)cc1 514584969 KJZXMZJOSRRPEU-GYCJOSAFSA-N 484.025 5.131 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 515994303 BKKVEKYAYDOIAH-UHFFFAOYSA-N 460.544 5.236 30 20 JKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 517536152 WLGITBLURDSAOG-JOCHJYFZSA-N 461.565 6.240 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(C)c(-c2nc3ccccc3n2C(F)F)s1 518726402 MWBQTRGTXXHWBW-UHFFFAOYSA-N 497.527 5.541 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 519883226 OJTHHVAZRRAIJN-UHFFFAOYSA-N 485.968 5.202 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 519991969 BAFZATGUVSUHQL-UHFFFAOYSA-N 472.932 6.557 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c3cnn(C(C)C)c3n2)c(C)o1 520923515 PVWIWVSWPNSYLS-KRWDZBQOSA-N 473.602 6.536 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 521268956 WTJIDUXHZGNLJB-UHFFFAOYSA-N 468.560 5.470 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c12 552987668 BEWFSJKCMZXBLR-INIZCTEOSA-N 468.586 5.505 30 20 JKED N#CCCN(CCC#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 553616187 YMXMLEHCLVCMHQ-UHFFFAOYSA-N 468.948 5.070 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c2)cc1 589830084 GVMCCWYORTWYRH-MHZLTWQESA-N 494.616 6.709 30 20 JKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c(Br)c1 594838766 SXLJSFZCJBFZSL-MIMYLULJSA-N 465.207 5.422 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Oc5cccc(C#N)c5)nc4)nc(O)c23)C1 603627106 QVGIIEKMKDBNBP-OAHLLOKOSA-N 485.569 5.152 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603758809 IZTAXWDMTHUJOQ-IBGZPJMESA-N 466.006 6.602 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)c1C 603846248 HSRKSLBIUJUYQY-QGZVFWFLSA-N 498.486 5.476 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)c2)cc1 603921043 LXIQGGWZSOBBFR-UHFFFAOYSA-N 476.536 6.228 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604258104 SPRZDYQNSKUBER-AOOOYVTPSA-N 484.340 5.295 30 20 JKED Cc1nc(-c2cccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)c2)oc1C 604439830 OFXNQCRGTAJINZ-UHFFFAOYSA-N 482.565 5.813 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 608778396 XUZTUJRYHSGQJF-UHFFFAOYSA-N 485.584 6.349 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nc2ccccc21 608797628 KBNFKECOBZLWMJ-VWLOTQADSA-N 479.540 5.022 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 609086518 JBNDJMOUWUGXPM-UHFFFAOYSA-N 481.474 5.062 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 609175635 QLVLUTCCBGAYKU-UHFFFAOYSA-N 462.516 5.216 30 20 JKED N#Cc1ccc(CNC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)c(F)c1 609327341 WJOXXIURRQTRMF-OAQYLSRUSA-N 457.274 5.035 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccccc1F 609370913 JAQZGEKMVLEDCR-MRXNPFEDSA-N 467.595 5.253 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)cc1Cl 609378604 REEKKHHALQBCPP-UHFFFAOYSA-N 463.706 6.379 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 609402431 ZFEPPGICUAUPHI-GOSISDBHSA-N 465.472 5.152 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccc2ccccc2n1 613292174 BIFXVDMOTCGOMT-OAQYLSRUSA-N 470.326 5.740 30 20 JKED N#C[C@@H](C(=O)c1cc2cc(Br)cc(Br)c2o1)c1ccc2ccccc2n1 622650269 HLUVHPKNTUVHPO-CQSZACIVSA-N 470.120 5.996 30 20 JKED CC(=O)Nc1cc(NC(C)=O)cc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 642281655 YOSFTQNUUNRMIS-ZYTNRUGMSA-N 476.602 5.018 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(OCCCC)cc3)o2)nc2sccc2c1=O 643092406 ILXCBLFFRUUCOR-UHFFFAOYSA-N 454.577 5.165 30 20 JKED CC(C)COC(=O)N1CCC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 726142085 CJCBGPICJLOYFL-QFIPXVFZSA-N 453.970 5.439 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2Br)n1C 726317851 FFNFPQGYVNJRLT-KRWDZBQOSA-N 460.331 5.450 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 726401295 SSUSADKSMCOLPW-DJJJIMSYSA-N 481.952 5.004 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N\[C@H](C)c1cccs1 726420472 LTLZLQDGLFRRQB-NSJWOJMJSA-N 481.643 5.328 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2cccc(F)c2)C1=O 726421595 OEJHTGJTFLFLQH-QGPWZHNMSA-N 497.617 5.486 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(N3CCCC3=O)cc2)c1 726570539 DTIUXAMHAQRKDW-UHFFFAOYSA-O 490.008 5.258 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCC(C)C)cn1 726891598 OUXONFVLJZRPJI-SFHVURJKSA-N 494.539 5.115 30 20 JKED CC(C)CC(=O)N[C@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 727627861 IOBGUTZLBZTHAG-UZLBHIALSA-N 459.493 5.395 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4nc5ccccc5s4)CC3)n2)cc1 727631168 ANLNFIVCKWAJDW-IBGZPJMESA-N 474.611 5.521 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 727997063 SIJYNNWDKJWZTL-UHFFFAOYSA-N 487.556 5.422 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729143968 SYVPQIOZZRWEBQ-TZIWHRDSSA-N 459.974 5.088 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2ncccc2C)C1=O 729631800 RNWFAJSTGJZUKG-DEOSSOPVSA-N 488.613 5.176 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cnn(CC)c1 729632553 RJRRYCXEEYHGEX-GOSISDBHSA-N 496.464 5.606 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(C)c1C 730513914 QRDFDAPTFPMVGK-LJQANCHMSA-N 493.601 5.225 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 730664852 ZNXIOOSBMSBKLI-UHFFFAOYSA-N 478.593 5.195 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O)Nc1ccc(Oc2ccccc2)cc1 730713422 OHLFIZALUYKZPN-XMMPIXPASA-N 498.564 5.627 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cocn3)C2=O)cc1 730726857 LFZFSCCBCIWSIX-HSZRJFAPSA-N 492.601 5.357 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3cccnc3)C2=O)c1 730944231 UFXULZUKONOMEW-FDDCHVKYSA-N 493.032 6.073 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 730944467 WYFXINSLDZIPKF-BTYIYWSLSA-N 482.968 5.596 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731066070 QSSAGDSLWKTANN-INIZCTEOSA-N 497.020 5.249 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc3ccccc23)no1 731304686 ZLUZTSUZIXJGKE-QHCPKHFHSA-N 486.553 5.002 30 20 JKED CCOC(=O)/C(=C\c1cccc(OCc2ccccc2C#N)c1)c1nccn1Cc1ccccc1 731318550 JVKLBWGWYVPCDK-IMRQLAEWSA-N 463.537 5.486 30 20 JKED C[C@H](OC(=O)c1oc2ccccc2c1CSc1cccs1)C(=O)Nc1ccccc1C#N 742980216 KKBKFQFVBWJGMB-HNNXBMFYSA-N 462.552 5.842 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 743449582 RPKZFQSHPTWJJS-INIZCTEOSA-N 488.352 5.255 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(C3CC3)C2=O)c(OC)c1 745988884 CZQFRPUUALUJIF-LJQANCHMSA-N 494.400 5.133 30 20 JKED COc1cc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)ccc1SC(F)F 746346971 VZJOIZGIFQEFKH-TWGQIWQCSA-N 478.517 6.186 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCc2nccs2)cc1 747598297 ARDSWGYIGDYHAJ-HXUWFJFHSA-N 499.061 5.616 30 20 JKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)c2)cc1 747694922 BVLCMMPRXKYJRC-UHFFFAOYSA-N 496.535 5.662 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 748004116 RDUGHTVRRBIMIC-IBGZPJMESA-N 484.493 5.472 30 20 JKED COc1cc(/C=C2\Oc3ccc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 749747355 XVZABGVVWSRRID-JJFYIABZSA-N 453.853 5.121 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1C 799213631 XUUGEFRNPSTIMD-SFHVURJKSA-N 479.911 5.261 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 837285227 LZDKDZKKDZFJSS-HRAATJIYSA-N 498.530 5.822 30 20 JKED CC(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2)CC1 837785084 YLYLXKYXFRTJHL-JOCHJYFZSA-N 485.053 5.173 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1F 838570629 GSYUFKOWIPDFCE-MRXNPFEDSA-N 470.328 5.418 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(F)cc1F 838593892 RPIQJBLRLKPTEX-OAQYLSRUSA-N 491.560 5.133 30 20 JKED Cc1nc(CSc2ccccc2C(=O)OCC(=O)N(CCC#N)c2ccc(C)c(C)c2)cs1 841994527 NGLNRPCBPXAUFY-UHFFFAOYSA-N 479.627 5.464 30 20 JKED CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1 904691395 JGALBOHKHGNSGZ-LJQANCHMSA-N 482.924 5.362 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(Br)c2)n(C2CCCCC2)c1C 913370115 DZJKKZYEUKIASF-UHFFFAOYSA-N 464.385 5.101 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc(NC(=O)NC5CC5)cc4)c23)cc1 915049867 VJHQZUOWZZTNJP-UHFFFAOYSA-N 472.574 5.487 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1nc2ccccc2s1 915098948 HVUCHGFLGHNSGT-HNNXBMFYSA-N 474.464 5.316 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)n2)cc1 915099888 FUWBVWNQGZBVIU-NPSSKHJUSA-N 491.638 5.008 30 20 JKED N#C[C@H](C(=O)COc1ccc2ccc(=O)oc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103167 QAOARDHUZWJIOC-MRXNPFEDSA-N 471.321 5.479 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cc(OC)c(OC)cc1-c1ccccc1 915270451 HQQKREVLEMWUOT-UHFFFAOYSA-N 460.559 5.199 30 20 JKED N#Cc1ccc(CSCC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 915810591 CJXLQWZHYVXGNC-UHFFFAOYSA-N 481.917 5.211 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)c(C(F)(F)F)c1 916056269 UJJNQWGLTNQLNU-UHFFFAOYSA-N 466.828 5.438 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(F)c(Cl)c1 916206579 ZTNVVLOEHDSLOC-KRWDZBQOSA-N 496.789 5.388 30 20 JKED N#C[C@H](C(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl)c1ccccc1 916622775 LAONDMWXJSXFMF-IBGZPJMESA-N 498.999 5.287 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 916955341 PLHOCUGPGMSYJN-MZNJEOGPSA-N 459.546 5.274 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 917240654 JJMDLVWZCGZESH-UHFFFAOYSA-N 452.894 5.102 30 20 JKED CCOC(=O)Nc1ccc2c(CSc3nc(C)cc(C(F)(F)F)c3C#N)cc(=O)oc2c1 917251828 KMXDTMOPGLMZTK-UHFFFAOYSA-N 463.437 5.248 30 20 JKED O=C1/C(=C\c2ccc3ncccc3c2)CC2(C/C1=C\c1ccc3ncccc3c1)C(=O)Nc1ccccc12 917518246 WUDQQFKZIPWHSL-WTHRLWDASA-N 493.566 6.503 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(C3CCN(CC4CC4)CC3)C2=O)cc1 917665024 QJENZPFVWKYFKB-VWLOTQADSA-N 490.673 5.138 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c(C)c1 917671624 DFSBJTJSBWWOHA-HSZRJFAPSA-N 494.567 5.446 30 20 JKED CCCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@@H](C)c1cc2ccccc2o1 919775126 XEELCQNOFMLODX-OOJFRLDISA-N 482.606 5.251 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)Oc3ccc(C)cc3Br)n2)cc1 920138833 KTDUJCFVSPDBNU-PBHICJAKSA-N 471.376 5.533 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3c(C)noc3C)C2=O)c1 920352329 MHXJEDBIJKZOFR-QHCPKHFHSA-N 490.629 5.686 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1C 920839800 MRCXWXJCRMSJBT-CBQGHPETSA-N 478.593 5.168 30 20 JKED C[C@@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C(C)(C)C)cc1 920905584 TUIKHWHCWKPGLT-QGZVFWFLSA-N 474.517 5.098 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2sc(-c3ccc(Cl)s3)nc2C)c1C 921103842 ANKNEINQHJPDDM-UHFFFAOYSA-N 474.007 5.554 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)C1 1781460028 WMOLVIWYCGLKPO-WWPJHQMMSA-N 494.582 5.097 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3cccc(C)c3)CCC2)cc1 1786366697 VHQVCGJMWJPKIK-UHFFFAOYSA-N 483.612 5.788 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(F)c3)CCC2)cc1 1786548368 UQDOPYGMKYJMOK-JOCHJYFZSA-N 499.558 5.182 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4cc[nH]c34)CCC2)cc1 1786678864 DJFIXCAQIADEJL-UHFFFAOYSA-N 498.446 5.597 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccnc4Cl)cc3)CCC2)c1Cl 1786772550 YHTYERBNZHFBTF-UHFFFAOYSA-N 479.367 5.250 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cn(-c5ccccc5)c5ncccc45)CCC3)cc2)CC1 1787878421 NDKVUCPGKCMEBM-UHFFFAOYSA-N 475.552 5.077 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)cn4)CCC3)cc2)c(C(F)(F)F)n1 1788357725 ZRFIGENWOYBMKB-UHFFFAOYSA-N 499.880 5.082 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2)CCC1 1788786742 XFSGGNXRROEPPH-LJQANCHMSA-N 457.496 5.617 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)cc1 1789010476 LZAKDFUZZWPCLD-UHFFFAOYSA-N 474.564 5.487 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)cn3)CCC2)cc1 1789456494 VIXSRUDCPGWQBX-HXUWFJFHSA-N 468.395 5.360 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4onc5ccccc45)CCC3)cc2)c1Cl 1790082779 OWNUUFHMAOZASY-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1)c1ccccc1 1790836598 PMIKQSNPRMLPAH-LJQANCHMSA-N 477.568 5.376 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5cc([N+](=O)[O-])ccc5s4)cc3)CCC2)C1 1791008340 HQGGVODDSMKLIC-UHFFFAOYSA-N 461.543 5.523 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ncc(Br)cc34)CCC2)cc1 1791244135 NLOLLTZUIKDENI-INIZCTEOSA-N 495.421 5.214 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c[nH]nc4cc3Br)CCC2)cc1 1791248979 HYLQEESFGCNLPO-HNNXBMFYSA-N 481.394 5.285 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H](C)n3cccc3)cc2)CCC1)NC(=O)OC(C)(C)C 1791792319 YOQGFILRMOJUCS-NFBKMPQASA-N 494.636 5.043 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](N)c4cccc(Cl)c4)CCC3)cc2)c1 1792122069 AIRAQOZEZHPZMB-AVRWGWEMSA-N 487.003 5.415 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792393958 WIVMWOVYCWURQO-RTWAWAEBSA-N 483.653 5.370 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)c1 1799599726 RVEDRAUIBLWJRL-ZLWYIUKBSA-N 476.020 5.437 30 20 JKED C[C@H](c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(C#N)cc2)C3)cc1)C(F)(F)F 1801455095 OBBJFQOKFKSZQS-FUJBWUKOSA-N 497.561 5.038 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1801640373 GYNLOFOQQQIICW-GBLYOKOSSA-N 452.545 5.349 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1803602015 QWNPZCJSZIHHFW-RZFJZAQRSA-N 491.632 5.162 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ncc(Cl)cc3Cl)C2)CC1 1804743485 IBMJFYUXJAJEHM-GOSISDBHSA-N 450.410 5.002 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1 1805062128 NKOKXJINHXLTBX-UHFFFAOYSA-N 487.497 5.183 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccccc4N4CCCCC4)CC3)C2)c1 1805328668 CURTUWFEKIAGEH-UHFFFAOYSA-N 498.671 5.026 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)C1 1805333892 FXQTWOOWSVWXCU-UHFFFAOYSA-N 494.422 5.371 30 20 JKED Cc1nscc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)C1 1807849736 PIZZRFDJVCUXGJ-UHFFFAOYSA-N 483.637 5.010 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)c1Cl 1808978713 SERRKGRHLOCWJA-WXVAWEFUSA-N 494.982 5.393 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1810175693 XSGVBRHEBVUMHC-HMFYCAOWSA-N 488.415 5.182 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810503198 OUYOKOVGZYMZDE-DENIHFKCSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1810503938 SYGVXODKTSZVEH-BWKNWUBXSA-N 491.035 5.595 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1811200620 GOMQJYWRIOLJEA-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nscc23)[C@@H]1c1cccnc1 1812211755 INGWHQQCKADYCI-CVDCTZTESA-N 462.619 5.003 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1812804989 YNISNLSTILMEHD-LBNVMWSVSA-N 474.649 5.198 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(Br)c2F)n[nH]1 1814811925 HJYLPUQEYUFTRX-HNAYVOBHSA-N 491.405 5.148 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1815658941 KKMRLLRRZGQXCO-QHCPKHFHSA-N 460.603 5.302 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4c(c3)CCC4)n[nH]2)c1 1815683979 HZHVZWXJTZYJRZ-NIYFSFCBSA-N 481.600 5.074 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817212080 KCEZWKZAAQBMGG-LBONOALPSA-N 487.648 5.548 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4c3OC(C)(C)C4)n[nH]2)c1 1817945008 JXSCGJZSDQBLJG-UUOWRZLLSA-N 497.599 5.370 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cccnc34)n[nH]2)c(Cl)c1 1818483474 RBIIWAQCZJBZCL-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Br)cc3s2)n[nH]1 1819076224 ARLKGTNNHIYVNU-XHDPSFHLSA-N 493.452 5.011 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)[nH]n1 1819306735 DOHRLJFPOQGYAN-JXFKEZNVSA-N 466.973 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1819308827 DWRGPLATJMQTLH-UTKZUKDTSA-N 488.991 5.675 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccccc1 1819516302 KUYATGZABFBQCF-PZJWPPBQSA-N 474.527 5.332 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1819555970 MXNIQTOACBFDPN-HXUWFJFHSA-N 453.974 5.233 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(N(C)C)cc2)[nH]n1 1819556813 MLKUIJIRKYNMMR-QHCPKHFHSA-N 465.642 5.093 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(Cl)n2)n[nH]1 1819969798 ZVCGLJBHZWLQNN-KRWDZBQOSA-N 464.397 5.410 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)[nH]n2)c1 1820484578 CJXIZNBBFNIXJW-YJRNTSOCSA-N 459.594 5.194 30 20 JKED O=C(/C=C/C1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1820906000 ZJKMSBABWMZSSA-FYVUJZAJSA-N 466.607 5.039 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@]2(F)Cl)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821155168 KVICSGCSUAQJRP-MRCUYLHHSA-N 490.966 5.040 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@]2(F)Cl)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821155169 KVICSGCSUAQJRP-MYIHVTGJSA-N 490.966 5.040 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)cc(C(F)(F)F)c1 1821308679 ABDMPDCCDITMAJ-SGSXCFNPSA-N 499.518 5.381 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1821921498 URJNEAGDIGIWOO-KXBFYZLASA-N 465.520 5.329 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)C1 1823702257 YFHMCHOCPLZFAR-RUZDIDTESA-N 471.601 5.627 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc3c(O)cccc23)CC1 1823753057 CCDAYGUUYGVGHN-HSZRJFAPSA-N 463.622 5.166 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1824037797 KWGWPHGDGOOJFU-VJGNERBWSA-N 473.592 5.043 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824510720 TXQJPYUPSPHTHY-NBGIEHNGSA-N 474.601 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825949938 INGXUJNUUFRMRU-ISKFKSNPSA-N 454.655 5.887 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1826371756 UXQGFJISTMQLCG-HHHXNRCGSA-N 496.768 5.299 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)c1 1826535519 YUEXVKLXCDXSDE-BZDILZQOSA-N 455.602 5.260 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)cc1 1826780407 GISJWEJAFDVJHG-QOEIGGFQSA-N 496.655 5.170 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c1 1828130422 TUAQJJHSGOAOPT-XMMPIXPASA-N 486.641 5.034 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1)C(F)(F)F 1828459246 KWHOUESKTHRXKV-PDGJWGCVSA-N 454.577 5.331 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1828827052 QRZDWYDFLCCBTQ-XCZPVHLTSA-N 471.645 5.750 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1828827689 RKQXIJGKNQLLGR-XZOQPEGZSA-N 474.686 5.133 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sc(C)cc3[nH]2)CC1 1828832100 YVAZNIDNDARZCZ-REWPJTCUSA-N 453.652 5.540 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1828886304 NCYOSGVSWHBZKC-FPOVZHCZSA-N 489.081 5.361 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccccn2)CC1)c1ccccc1 1829035029 JGTYLEBHTFTDCI-WSHBGFIESA-N 471.645 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(O)ccc3n2)CC1 1829066872 YNOTVYGJYHBBPN-RUZDIDTESA-N 463.622 5.166 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829577163 UBSZOGBRLPNGIL-YADARESESA-N 475.658 5.895 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CC2)C1 1829588380 ALTGHAJKJQCUFF-MHZLTWQESA-N 482.628 5.429 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CC1 1829622708 UHUASSXBQPJXJN-VWLOTQADSA-N 480.612 5.143 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1 1829895740 FECUEOFHPGXHOV-DEOSSOPVSA-N 481.999 5.217 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2)CC1)c1cccs1 1829971368 YDPJBQJWHFPLPE-GLCJEOIMSA-N 471.022 5.074 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)CC1 1830291386 IMPPFRPEADUNAT-SQHAQQRYSA-N 477.624 5.305 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccc(Cl)cc1 1830358957 LPUNNZXBSKFRQB-AFMDSPMNSA-N 496.026 5.317 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830719460 ZBGASUIGIPOZHF-JTSKRJEESA-N 485.650 5.173 30 20 JKED COc1ccccc1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721136 YSPFRTQGQUGDRO-RUZDIDTESA-N 494.035 5.086 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c(C)c1 1830722175 BRGUFDDSAHLUAZ-VWLOTQADSA-N 480.008 5.076 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1)C(F)(F)F 1831452848 DQQKVBXVKXZEOC-NRFANRHFSA-N 494.945 5.082 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831927945 BLRDYJPTZNLLLS-SFGWMHHMSA-N 498.667 5.313 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1832169895 VGWDOLFHEWAGLA-JPYJTQIMSA-N 497.064 5.021 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc(F)c1F 1832620429 CGEWQHNBCBEAPG-IQGLISFBSA-N 479.571 5.447 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c1 1832628958 HJIFVEVYPFTBFB-FDDCHVKYSA-N 484.065 5.505 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1 1832631909 JFJRYZGZFXFRGV-NFQMXDRXSA-N 468.601 5.342 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3nc4ccccc4o3)CC2)c1 1832632775 BZYHJJCUWXUHHA-CYFREDJKSA-N 470.573 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832635750 QTZJRZVOXPRGQR-PZGXJGMVSA-N 499.655 5.650 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3OC(F)F)CC2)cc1 1832673965 SVWRWJSGLIFYFJ-XMMPIXPASA-N 495.570 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)c3ccccc3)CC2)c1 1832902298 WKQWDAAIFMGOJV-UMTXDNHDSA-N 457.618 5.351 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Cl)CC2)CC1 1838390938 YUYXJMWPEYKDCR-UHFFFAOYSA-N 489.132 5.003 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1838686287 QXAZJTTUHRGXOU-UHFFFAOYSA-N 485.644 5.306 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)CC1 1838743074 AYSBVKFAXUOBOF-HSZRJFAPSA-N 497.026 5.290 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1844201491 DBGFYLUAMQPPIW-NRFANRHFSA-N 464.606 5.225 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1844203508 VELNMROWZZIQNH-PZJWPPBQSA-N 466.025 5.213 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(NC(=O)OCC)ccc23)nc2cc(Cl)ccc2c1=O 9085566 CHMMHVWWZOHPMR-UHFFFAOYSA-N 497.960 5.203 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570563 KRLJFDJLMUHFSZ-UHFFFAOYSA-N 465.991 5.175 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158729 BEIMRLYTYONIGE-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11158766 VCIPWKSWANAQGV-UHFFFAOYSA-O 470.854 6.609 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccc(C(C)(C)C)cc1 14871737 XLTHWNVFSKTJSL-UHFFFAOYSA-O 452.043 6.538 30 20 JKED C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)Nc1sc2c(c1C#N)CCCCC2 16872544 VEYBJEHSPMRFIB-JTQLQIEISA-N 499.971 5.723 30 20 JKED C=CCn1c(SCc2c(C(=O)OCC)sc3cccc(F)c23)nnc1-c1cccnc1 18405805 DVOSHYCWDNNKMM-UHFFFAOYSA-N 454.552 5.349 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccccc1 18952400 MEXRRJPYPKCNKR-QFIPXVFZSA-N 464.591 5.330 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccoc1C 21140630 UVVTUISHOMOXTD-LJQANCHMSA-N 474.586 5.731 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1F 22732137 RPAKZHOZWQYCCV-UHFFFAOYSA-O 491.558 6.342 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 23604537 SOTUUFNLRQXKTG-UHFFFAOYSA-O 452.619 6.321 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1nc(-c2ccccc2)cs1 27444555 NLYIPCBDXUHEFC-FQEVSTJZSA-N 497.605 5.678 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)c2)c1 32288509 HQSIUALCTMADEQ-UHFFFAOYSA-N 454.530 5.020 30 20 JKED C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)c1ccc(C#N)cc1 33179109 FUMYCJNQEAFQQY-CYBMUJFWSA-N 464.308 5.157 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 248014246 SHMXJJWVTNWWQY-UHFFFAOYSA-N 481.843 5.231 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(Br)cc1 255941478 OBMOSDITVYWSTK-QGZVFWFLSA-N 499.478 6.445 30 20 JKED Cc1ccccc1-c1cc(NC(=O)CCc2c(C)nn(CCC#N)c2C)n(Cc2ccccc2)n1 303065251 YPSKAUHXXLKDGA-UHFFFAOYSA-N 466.589 5.205 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](CN2CCC(C)CC2)C1 303146394 DUHNCTQJXPJVJD-RUZDIDTESA-N 460.622 5.422 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C 303356154 GDRASXGFUKJBRL-UHFFFAOYSA-N 461.884 5.593 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(Oc3cnccn3)c2)nnc1-c1ccc(Cl)cc1 483220298 LHELUXZSTNUXNE-UHFFFAOYSA-N 478.965 5.098 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 483351804 MCELYRDFEAHQKY-YKSBVNFPSA-N 455.533 5.149 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 500753909 LSJFQPLOVZAHQC-UHFFFAOYSA-N 493.361 5.572 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 500994710 GWMJDSZWMPPYHA-UHFFFAOYSA-N 462.509 5.313 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)N1CCCCC1)c1ccccc1 501129808 SFHHZWDRZFCLSB-HSZRJFAPSA-N 483.037 5.542 30 20 JKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c([N+](=O)[O-])cc1OC(F)F 501161107 MUJBPFKXTFGIAY-UHFFFAOYSA-N 485.418 5.371 30 20 JKED CCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 503531225 UZNBUOBCIMGTNC-OAHLLOKOSA-N 450.470 5.163 30 20 JKED CC(C)CCN(CCC#N)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 505212697 CGVVBBSXDBHOEU-UHFFFAOYSA-N 461.513 5.417 30 20 JKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(OCc2ccccc2C#N)c1 512574202 QFYDQYFEHZMYQG-UHFFFAOYSA-N 486.959 5.891 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2[N+](=O)[O-])n1 513167649 XIQRNZSEKMXWGD-CYBMUJFWSA-N 464.450 5.415 30 20 JKED Cc1ccc([C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N2CCCC2)o1 513983064 LFTSGXLNYQZYGN-VWLOTQADSA-N 458.562 5.192 30 20 JKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513997228 PYOMEIFCRGMPLI-UHFFFAOYSA-N 498.602 6.112 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Cl 515626453 HNUMNWDFUMRZDN-NRFANRHFSA-N 465.962 5.071 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc(F)cc2Br)cc1 515695230 BSEWAJVWKVIFSZ-UHFFFAOYSA-N 475.339 5.034 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccc(O)cc3)Cc3ccco3)cc2F)c1 517132626 ZSBSUJUENTVNDH-UHFFFAOYSA-N 471.488 5.809 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nnc1-c1ccncc1 518793754 BQDUHOKBYGMNBS-UHFFFAOYSA-N 454.353 5.236 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H](C)c1cc2ccccc2o1 519091164 NLPJKIZFKCAWMC-SFHVURJKSA-N 453.498 5.645 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CC2)c1 519137843 SVWCFFTXHNKXIE-UHFFFAOYSA-N 459.527 5.301 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 519427621 QFRJQLIXCCIYEF-KRWDZBQOSA-N 462.575 5.332 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H](c2ccccc2)CC1 519438615 SEKGDMWTPZHXOW-GOSISDBHSA-N 475.536 5.446 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1 520195831 NQLFJZKLEGIAIS-IBGZPJMESA-N 458.587 5.963 30 20 JKED Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)nc1 520373574 IXVQGCNSIZMKBT-JOCHJYFZSA-N 470.598 5.045 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 521697799 PXWFZYDUWOZUQW-UHFFFAOYSA-N 453.546 5.409 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 522347984 QHXXVEKDVLNVKM-UHFFFAOYSA-N 450.454 5.718 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 523526138 GPSHZJJSJFPDSS-UHFFFAOYSA-N 485.481 5.688 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OCC 523818092 BFLQYNPKMKSAED-HXUWFJFHSA-N 475.564 5.968 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)n2)cc1 556583348 HEMRFQZQTXQOLL-YOSAUDMPSA-N 487.625 5.777 30 20 JKED CC[C@@H](C)n1c(SCC(=O)N(Cc2ccccc2)c2ccccc2C#N)nnc1-c1ccccc1 574663650 ZWYVRQIARLXVOG-OAQYLSRUSA-N 481.625 6.113 30 20 JKED CCCCOc1c(Cl)cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC 603449260 JQPYHBJJQUJGGW-UHFFFAOYSA-N 489.022 5.795 30 20 JKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1Br 603673379 NFSURXIDFRNAKA-SFHVURJKSA-N 485.765 6.027 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603759232 YXUSJSUAUZXPEZ-HSZRJFAPSA-N 471.992 5.774 30 20 JKED N#Cc1ccc(-n2c(SCc3cccc(C(=O)N4CCCCC4)c3)nc3ccccc3c2=O)cc1 603947361 ABCCMNRBJZWBGF-UHFFFAOYSA-N 480.593 5.176 30 20 JKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccccc1OC(F)F 604047227 MKLQWQMEAQLNCX-CQSZACIVSA-N 457.864 6.044 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(Oc4cccnc4)c(F)c3)cn2)c1 604428947 WICRYUPGESDWSA-UHFFFAOYSA-N 455.449 5.394 30 20 JKED COc1cccc(CN(CC(C)C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 604500596 WIPKBPSWCYOGLM-UHFFFAOYSA-N 456.546 5.509 30 20 JKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604522910 VBMNIEFJCSURAU-UFHPHHKVSA-N 469.585 5.963 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCC[C@H]3C(=O)Nc4ccccc43)cc2Cl)c1 609079933 LOKTWCCOVLOWPD-HXUWFJFHSA-N 460.921 5.038 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)cc2Cl)c1 609226686 CGYASAJOIQKGDB-VWLOTQADSA-N 491.950 5.526 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609326889 ZSRCWGLUIVJPSM-KRWDZBQOSA-N 481.599 5.049 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccoc1C 609371076 XNQYPTGKFQCJPO-OAHLLOKOSA-N 453.593 5.015 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1 609421591 QRVWIPWHOLFEBS-OAQYLSRUSA-N 476.577 5.170 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1cccc(C(F)(F)F)c1 609428321 MDGCPOGFPXNEQR-HNNXBMFYSA-N 472.492 5.206 30 20 JKED CSc1nnc(CCCNC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1C1CCCC1 609436982 ZPQBGFLCLKCIIU-INIZCTEOSA-N 458.657 5.264 30 20 JKED O=C(Nc1cccc(OCc2cccc(F)c2)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542522 RTAOZNXRULDOGQ-GASCZTMLSA-N 464.381 5.999 30 20 JKED O=C(Nc1ccc(OC(F)F)c2ncccc12)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542576 YWFCMBPUFSJYLO-AOOOYVTPSA-N 457.321 5.431 30 20 JKED O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 622478123 VGXFNCYJOSNQJB-QGZVFWFLSA-N 476.417 6.320 30 20 JKED COc1ccc(OC(F)F)c(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 642636114 BWKGJMDIHDRTBZ-RKDXNWHRSA-N 450.326 5.328 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccoc1C 645079435 FNNTZQUSAYOQKS-QFIPXVFZSA-N 460.559 5.513 30 20 JKED C=CCOc1c(Br)cc(/C=C2\SC(=S)N(c3cnn(CC)c3)C2=O)cc1OCC 726196904 GGNZDMOAQVIECI-YVLHZVERSA-N 494.436 5.035 30 20 JKED C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1 726319666 GDZQYWCHBOGYKA-UHFFFAOYSA-N 475.585 5.253 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nnc(-c4cc5ccccc5o4)o3)n2)cc1 726322200 QZKTYLXMKUDZOD-SFHVURJKSA-N 454.511 5.724 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 726394888 WQUYMPJCXPVJIE-UWJYYQICSA-N 474.026 5.342 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccsc2)cc1F 726410062 FMJSZXOUPYWSEM-HXUWFJFHSA-N 469.563 5.056 30 20 JKED CN(C(=O)c1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1Cl)C1CCCCC1 726468279 BHRJCFUXUANNIX-UHFFFAOYSA-N 461.418 6.079 30 20 JKED C[N+](C)=c1ccn(/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCCC3)cc1 726570826 LVMYVCWLNCFJDN-UHFFFAOYSA-O 490.052 5.247 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)n2)cc1 727626627 DRNFWPXDIBAVHL-HSZRJFAPSA-N 472.614 5.259 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)n1 727934858 NSTAIPZROVRKCF-DEOSSOPVSA-N 451.530 5.319 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)NCc1cccc(C(F)(F)F)c1 727978914 OLNSCZHDQMOAAL-UHFFFAOYSA-N 455.505 5.951 30 20 JKED CCOc1ccccc1[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)NC(C)=O 728412784 WLAYNZMBBSGHLZ-IRXDYDNUSA-N 475.492 5.158 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1cccnc1 728420947 KWLBMTATYLVCHV-XXBNENTESA-N 483.597 5.292 30 20 JKED C#Cc1cccc(N(CC)C(=O)c2cccc(NC(=O)c3ccccc3I)c2)c1 728479116 JFMSYAJQAJUQOK-UHFFFAOYSA-N 494.332 5.192 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3scnc3C)C2=O)cc1 729142232 IHRSNNMNINILOJ-OAQYLSRUSA-N 478.643 5.537 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1 729553715 RNQCTWBYHUOATN-GMAHTHKFSA-N 473.882 5.567 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1 729562482 XUDHOEKOSUIUOC-VWNXMTODSA-N 496.652 5.144 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ncccc3C)C2=O)cc1 729630969 IGLKZHLLIVHMNU-XMMPIXPASA-N 486.597 5.062 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cc(F)ccc2F)C1=O 729633532 DZIJSRPAGMILBR-JOCHJYFZSA-N 481.524 5.134 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O 730461601 QKNWCHXVQSIRPS-HSZRJFAPSA-N 459.571 5.361 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1F 730943587 GWZKSCYMJASTSV-HTAPYJJXSA-N 462.550 5.251 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 730943603 HDQVDNHALDCQHZ-HRAATJIYSA-N 464.978 5.457 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)cc1 731309323 VTGKREPQLGOUNO-MHECFPHRSA-N 488.613 5.632 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731311443 BNLYFANNZAVUOR-LOSJGSFVSA-N 496.592 5.220 30 20 JKED CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)CC2 746014559 CDLABNUAZLKOMY-NTEUORMPSA-N 485.512 5.132 30 20 JKED CCOc1ccc([N+](=O)[O-])cc1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O 748579179 BEIUYQMGTYHBCB-UHFFFAOYSA-N 468.922 5.276 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 791006824 LOACGLZLWWEIOX-UHFFFAOYSA-N 493.972 5.356 30 20 JKED CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(-c3ccc(Br)cc3)s2)cs1 797156140 ATFNIKWNKMAPGB-HJWRWDBZSA-N 461.406 5.903 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 837301288 SXMPWVCSRYYQNK-KSFYIVLOSA-N 483.540 5.539 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 837551304 HNHDWXYWBQIILF-CLOONOSVSA-N 480.593 5.956 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 837868768 KBAUPSMMNZREIT-OPAMFIHVSA-N 480.540 5.390 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 837885230 YQOISMBWSNWZHC-HTAPYJJXSA-N 479.005 5.765 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1ccccn1 838219906 VDBKEMGNANQOSU-QMHKHESXSA-N 494.567 5.644 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 914689837 BCEPVNBJBLIVLM-VFNWGFHPSA-N 469.513 5.149 30 20 JKED CCc1ccccc1NN=Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 915051663 LZTBBESEVOLTHG-UHFFFAOYSA-N 471.479 5.740 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 915354313 ZSYRSVDQZYSGTC-FYYLOGMGSA-N 452.583 6.363 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2ccccc2C(F)(F)F)cs1 915927639 PTXZAFPPWBNOAX-UHFFFAOYSA-N 491.564 5.784 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNCc2ccc(F)c(F)c2)cc1OC 915974639 JRMBLOJHXHBALM-UHFFFAOYSA-N 462.500 5.018 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1Cl 916209830 RYMLFWSUSPKTIE-GOSISDBHSA-N 464.374 5.148 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2)c1 916212443 MZAWFVLYFWFREA-QHCPKHFHSA-N 477.561 5.303 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 916438163 GUAXCRODRXPXGK-XMMPIXPASA-N 497.565 5.658 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c1 916697119 YFDAZLBYXLKJDZ-PBQGTZBKSA-N 482.650 5.166 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 916901319 DZAKWUQFOLLISP-HNNXBMFYSA-N 474.369 5.324 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916903092 KVMSACKJJWSPDS-OAQYLSRUSA-N 486.959 5.872 30 20 JKED N#C[C@@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)C(=O)Nc1ccccc1Oc1ccccc1 916907762 WZXMSGLKJFEVGO-QFIPXVFZSA-N 495.491 5.051 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCCc1ccc(Br)cc1 916910367 XCUHETHKVYDCAH-NRFANRHFSA-N 455.396 5.634 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916923100 LAFDEHZVSIUQNH-FQEVSTJZSA-N 468.431 5.858 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SC[C@H](O)c1cccc(C(F)(F)F)c1 916981050 MSPXEUUXKNYKAT-KRWDZBQOSA-N 453.461 5.027 30 20 JKED CSc1nc(C)c(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(O)n1 916996497 NELXSGQXYWGUBR-AWEZNQCLSA-N 479.414 5.452 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(N)=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997103 QXBDGPVDRXQFRG-NVXWUHKLSA-N 459.358 5.093 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 917032546 KLRNMYWXODHSTF-UHFFFAOYSA-N 470.595 5.206 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cs1 917559500 KELGXLVQSFEHJM-DHZHZOJOSA-N 482.989 7.245 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)cs1 917560381 MUTLRCSKGVBSRD-DHZHZOJOSA-N 460.024 6.440 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C(C)C)c1 917714346 SYYFYGSGHKFWNG-NRFANRHFSA-N 475.561 5.085 30 20 JKED COc1cc(-c2cc(C(=O)Nc3cccc(OCCCC#N)c3)c3ccccc3n2)cc(OC)c1OC 917728182 NBXZGXJKJGBXBI-UHFFFAOYSA-N 497.551 5.862 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1 919773600 SZZXJSBZPQDZAE-RUZDIDTESA-N 459.977 5.865 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 920113014 OJUZPYKRBJFSON-LRDDRELGSA-N 488.421 6.756 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2C#N)s1 920168714 NKXNJGLSCHPRJC-FDDCHVKYSA-N 488.638 5.327 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCOCC(F)(F)F)C1=O 932756707 BWPLFAZFKDPVEQ-GOSISDBHSA-N 499.942 5.188 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCCC4(F)F)CCC3)cc2)cc1 1785880572 DWIAZAYOSZMHMI-QFIPXVFZSA-N 451.517 5.060 30 20 JKED CC(C)(C)OC(=O)N[C@@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)C#N)cc2)CCC1)C1CCCCC1 1785937733 UHFYWVITIRQSEG-JOCHJYFZSA-N 496.652 5.144 30 20 JKED Cc1cc(C)n2ccc(C(=O)NC3(c4ccc(NC(=O)C#Cc5ccc(Cl)cc5)cc4)CCC3)c2n1 1786041969 XAVWRJPMSRUILY-UHFFFAOYSA-N 496.998 5.404 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CSc3ccc(F)cc3F)cc2)CCC1)C(F)(F)F 1786325212 YYUHXYJUTAHRSF-UHFFFAOYSA-N 470.463 5.310 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3Cl)CCC2)cc1 1786360157 DDEYGLAPWBWGEY-HNNXBMFYSA-N 478.898 5.145 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cn1 1786839911 FNWBHMAHZLOYNJ-FQEVSTJZSA-N 466.585 5.398 30 20 JKED COc1ccc(C(=O)CCC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)cc1 1787692135 FEKWHBVZFKLNFK-UHFFFAOYSA-N 499.542 5.117 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(N)c(Br)cc3C)cc2)CCC1)C(F)(F)F 1787950584 PXLRWASVPWGIEF-UHFFFAOYSA-N 496.327 5.206 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)F)no4)cc3)CCC2)c1 1788310615 ZRYVHYSLOFQLOJ-OAHLLOKOSA-N 464.472 5.301 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C(C)C)nn4ccccc34)cc2)CCC1 1788397394 LOBINRRQLFEJDK-LJQANCHMSA-N 475.593 5.006 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1)c1ccc(O)cc1 1789390875 LTQPOJBIFKMKNQ-OAQYLSRUSA-N 492.579 5.213 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c(C)n1 1789968181 SZNNOOQQAFGWCN-SFHVURJKSA-N 452.558 5.387 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5nc(C)ccc5o4)CCC3)cc2)c1 1790072936 XPXRUDPMRDJCRL-UHFFFAOYSA-N 480.524 5.078 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1 1790206992 ATSXKMGLYBVQFA-AKJBCIBTSA-N 499.995 5.150 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc4ccoc4cn3)CCC2)cc1)c1ccc(O)cc1 1791646193 IJWOADNGLYFNQE-OAQYLSRUSA-N 493.563 5.478 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](N)c4cccc(Cl)c4)CCC3)cc2)c1 1792122072 AIRAQOZEZHPZMB-CJAUYULYSA-N 487.003 5.415 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)ccc4F)CCC3)cc2)c1 1792127361 WTMIOPVMUFBART-QGZVFWFLSA-N 457.505 5.220 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](C)CC=C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206717 PJMYKVJKDMLKBB-DENIHFKCSA-N 469.626 5.192 30 20 JKED CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)c1ccccc1 1795457608 JFZAMUZLWIKNHX-BJESRGMDSA-N 469.507 5.023 30 20 JKED CC(C)(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)s1 1797153592 VQSUSWXGOCRBLP-BJWYYQGGSA-N 456.011 5.136 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)C2 1798334552 BYNAMOOIOSCBBO-PLACYPQZSA-N 451.998 5.217 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3cc(-c4ccccc4)ccc13)C2 1798592980 AIBRVUMSTJAYNJ-NUNAXRQHSA-N 470.617 5.474 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccoc2c1-c1ccccc1 1799114699 JGWLOQPVOOHUSQ-CIAFKFPVSA-N 457.574 5.448 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1F)c1cccc(C(F)(F)F)c1 1800412994 VPMDASYVHREWHM-MUJYYYPQSA-N 488.403 5.429 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cc1 1800513184 ATGBYFQMQFZHCU-ROPJFGRJSA-N 489.736 5.397 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Cl)ccc1Br 1801590882 ABSKRRMGFXSYQI-YRPNKDGESA-N 479.846 5.052 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)c1 1803684991 SYZYVIYUTWRECG-TWHAJKEOSA-N 477.564 5.779 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@@H]1c1cccnc1 1804860852 IYSRMZFCWCYUJS-CUBQBAPOSA-N 498.627 5.173 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c1 1807965782 PPSVBTNPZRUYGL-OUPRXKBMSA-N 484.581 5.150 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2sccc2Cl)[C@H]1c1cccnc1 1810271838 IZRCWDFGYVURDT-KNQAVFIVSA-N 488.129 5.167 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3nn(CC)c4ccccc34)C2)CC1)c1ccccc1 1810367545 RRSLXMMWIKJRPR-VWLOTQADSA-N 496.655 5.098 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(F)c2C)[C@@H]1c1cccnc1)c1ccccc1 1810440572 JSCMMERFCZJFCA-GYGTVUFYSA-N 483.587 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1811164069 VQEGKBLKQQRARK-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1811412267 IPOOBWZPDFWUAR-LVXARBLLSA-N 461.650 5.572 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c1Cl 1811426177 RUVRPVIOOHYSPW-QFQXNSOFSA-N 484.987 5.117 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1811950977 OJCNVNFDUPNAFX-XRKRLSELSA-N 480.612 5.029 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1)C(F)(F)F 1811997874 KOJLBBBYFFQUQD-KXBFYZLASA-N 486.321 5.135 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c(C)cc2OC)[C@@H]1c1cccnc1 1812003036 HRKYCXZYMGOJFZ-DHLKQENFSA-N 463.622 5.019 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1812673362 SQIPDOUFWSLYEP-DENIHFKCSA-N 491.966 5.053 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C3(c4cccc(Cl)c4)CCCC3)[C@H]2c2cccnc2)C1 1812988379 YVTWGGXCRHPHRR-SQJMNOBHSA-N 478.036 5.219 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1F 1814587065 DJIWSNIULWCKEY-VGOFRKELSA-N 459.525 5.104 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[nH]n1 1814823640 AXXKPWVEUUDGDJ-PWHSHALESA-N 468.548 5.252 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)cc2C(F)(F)F)n[nH]1 1815547558 ZLDODXPYBVBZIJ-RXVVDRJESA-N 492.517 5.571 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnn(C(C)(C)C)c2Cl)n[nH]1 1816198196 QHYPEQCVDGXLKH-LPHOPBHVSA-N 473.021 5.089 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3sc(C)nc3c2)n[nH]1 1818698902 JFWAQTSCZDFNOE-FQEVSTJZSA-N 465.623 5.626 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)n[nH]1 1818869031 PZUMCVJLHAUGRF-RZUBCFFCSA-N 452.986 5.053 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nccc3occc23)[nH]n1)c1ccccc1 1819518434 PXMJXCVSODPGGM-NZQKXSOJSA-N 481.556 5.054 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1 1820910313 GDGBSRXEYLYQPA-WBPGVZHSSA-N 499.656 5.008 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c(Cl)c1 1821277078 FKAYRJLSZJAAQH-HXUWFJFHSA-N 486.334 5.347 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1822582019 GJGQECIGEIKYEW-QFIPXVFZSA-N 463.969 5.111 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1823754826 DFBGVRDVEKNKBM-PKTZIBPZSA-N 491.717 5.292 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1823814799 QRJATBDLDZOIGV-HJOGWXRNSA-N 489.582 5.089 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2ccc3c(F)cccc32)CC1 1824138061 UZLVQTKYMVTAOY-RUZDIDTESA-N 465.613 5.169 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1824144094 ZOKIWCYOEATVHY-FQEVSTJZSA-N 451.533 5.035 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1824850403 NIUHWKYKECRFEO-FQEVSTJZSA-N 490.488 5.218 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1 1827411260 BRZHPUMFUXMLHI-MBSDFSHPSA-N 475.614 5.668 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1827509111 MQKLSSKWTBIVPS-WIOPSUGQSA-N 481.040 5.285 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827519993 OVBNYIDFDOQBKY-JTSKRJEESA-N 456.030 5.575 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827682803 MPOGFEDIWHJJOO-RGPPVUSESA-N 496.698 5.207 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828168922 DVEXANBHBCFFRM-HHHXNRCGSA-N 473.661 5.333 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1828879051 AWZPQZNQIAJYJW-CJQNAUOBSA-N 473.642 5.406 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2Br)CC1 1829345424 WCURWNIKPNJKHN-FQEVSTJZSA-N 476.459 5.070 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)ccc2[nH]1 1829693273 YGJDNGLCQFUREG-VWLOTQADSA-N 489.019 5.549 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1829902395 PDHVKEIBIYJOSB-QFIPXVFZSA-N 470.400 5.412 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)cc1 1830015492 IEWVTZICGKOZQR-HXUWFJFHSA-N 463.628 5.382 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)cc3)CC2)ccc1Br 1830021667 NYMPCXLAUOEELZ-HSZRJFAPSA-N 498.396 5.007 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830172442 UMVSOHKJMBGJSN-HHHXNRCGSA-N 474.645 5.420 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578713 XPIUFCOKKPIHTE-LJQANCHMSA-N 469.935 5.142 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1830635440 NGLGDBCZLJGVCV-AREMUKBSSA-N 482.584 5.069 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830708073 LMGIYKKJOOBCFF-SANMLTNESA-N 475.658 5.516 30 20 JKED Cc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755224 UEHWPRAABWDWKU-NRFANRHFSA-N 489.563 5.494 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2s1 1830894489 XEXSMRHJWXLSRW-AVRWGWEMSA-N 488.657 5.712 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c(Cl)c1 1830973462 RBUIBVIYTAHIEG-DEOSSOPVSA-N 493.032 5.368 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3O)CC2)c1 1832634173 PBBXNRUJWFRHOZ-UQBPGWFLSA-N 485.584 5.313 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832687914 JHFHSLBQCHZFOB-XMMPIXPASA-N 499.989 5.356 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)CC1 1833077488 NWUFHAINVXSRBM-UHFFFAOYSA-N 499.099 5.307 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(CCCCC)cc3)CC2)CC1 1836664013 MKHRQJHREBBMPX-XIQMRYHBSA-N 496.692 5.022 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173361 CNFJRJADBFRXDK-UHFFFAOYSA-O 465.642 6.487 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179414 SQXMNXWOYMLHFJ-UHFFFAOYSA-O 464.463 6.573 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(O)c1)c1ccc(F)cc1F 11113691 ZIXSZNGINNGAMG-UHFFFAOYSA-O 467.489 5.324 30 20 JKED C=CCn1c(SCc2cc(=O)n3c(C)csc3n2)nc2scc(-c3cccs3)c2c1=O 11382603 IXKPYZQVUBTMMJ-UHFFFAOYSA-N 484.653 5.043 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 12723863 GPNHFVDJOGCVON-BJKOFHAPSA-N 484.581 5.449 30 20 JKED N#CCc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(Cl)cc2Cl)cc1 15028958 BKYFYBYSAKLJQE-UHFFFAOYSA-N 494.787 5.766 30 20 JKED COc1cc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc(OC)c1OC 18065108 HWHCVHQLCDTDPA-DEDYPNTBSA-N 479.960 5.888 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccccc1C 23338943 VNWICNAULPVDCD-IBGZPJMESA-N 475.643 5.395 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 23453554 VTGDMSHSPNUYNZ-VWLOTQADSA-N 458.583 5.129 30 20 JKED COc1ccc2cc(CN(C)C(=O)[C@H](C)Sc3nc(C)cc(C(F)(F)F)c3C#N)ccc2c1 26145836 XANFAAXPPZAAQG-HNNXBMFYSA-N 473.520 5.582 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)CC2CCCCC2)c1 29365630 XOJUXBAODMEEFJ-UHFFFAOYSA-N 461.027 5.374 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(NCCc3cccs3)s2)ccc1Cl 29537169 GSJOWYZDSWKWQZ-UHFFFAOYSA-N 478.068 5.255 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1)c1ccc(F)cc1F 212245494 TYUUEGDQDDJWOL-CLFYSBASSA-N 484.524 6.870 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)c1 255741083 OBPSLSRKLSMLDJ-NRFANRHFSA-N 469.513 5.335 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c2ccccc21 255927859 SDRQYXRZLVYFFR-UHFFFAOYSA-N 492.004 5.689 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1-c1ccncc1 255929944 QQXKVEDOPQEIBI-QFIPXVFZSA-N 492.004 5.660 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 255941520 PLZIWQNCTNTWQD-CQSZACIVSA-N 491.842 5.517 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c(-c4ccco4)csc3n2)nnc1-c1cccnc1 302863795 DMKVMFSVOGZJBX-CYBMUJFWSA-N 462.560 5.350 30 20 JKED C=CCn1c(S[C@H](C(N)=O)c2ccc(Br)cc2)nnc1-c1ccc(C(C)(C)C)cc1 303286386 NHRWRHSYZJVEPI-IBGZPJMESA-N 485.451 5.510 30 20 JKED Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1Cc1ccco1 487195377 HIVKGKOFOIAMRP-FQEVSTJZSA-N 471.586 5.322 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 491502648 RJJCJDDBQSEZAK-IBGZPJMESA-N 496.061 5.850 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)CSCc1ccc(Br)cc1F 496285532 RAVQZYDWGLIVQH-UHFFFAOYSA-N 459.340 5.519 30 20 JKED Cc1sc2nc(CCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)nc(O)c2c1C 499984577 VRQWAFJRMPATPC-UHFFFAOYSA-N 474.561 5.186 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)nnc1-c1ccco1 500751897 DIKZAJVMMSMRKY-UHFFFAOYSA-N 459.531 5.261 30 20 JKED CC(C)(C)c1ccc(C2(CNC(=O)C(=O)Nc3ccccc3Oc3ncccc3C#N)CCC2)cc1 501289767 YPZOHKVEJPBKFW-UHFFFAOYSA-N 482.584 5.220 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)ccc1OCc1ccc(Cl)cc1Cl 502675758 OBDDZASXCOYAHY-GOSISDBHSA-N 456.329 5.478 30 20 JKED COc1ccc(C2(NC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CCCC2)cc1 503259269 KRQUTMYUASANAD-UHFFFAOYSA-N 465.604 5.302 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1 508248123 IIQQXFQWQKGFHC-UHFFFAOYSA-N 472.423 5.017 30 20 JKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 509194095 GOGQWMQFLYEHEF-UHFFFAOYSA-N 491.564 6.163 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCc2cccc(C#N)c2)nnc1-c1cccs1 510367795 UHGZMGAZTYTUDE-SEONNTABSA-N 477.659 5.284 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 511307029 QOLRVUVPUDKWLV-QGZVFWFLSA-N 453.464 6.233 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513869237 ICARMTKRNOWWMK-JOCHJYFZSA-N 498.602 6.255 30 20 JKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 516720798 PITZLPSWZKQHFT-UHFFFAOYSA-N 464.525 5.194 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 517123305 SDWWKMGRVDIBSF-QHCPKHFHSA-N 483.977 5.055 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nnn1-c1ccccc1 518175430 WYWOXXVQCXWSRW-INIZCTEOSA-N 454.342 5.496 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 518462599 BAESMLNKBNCVLG-UHFFFAOYSA-N 495.576 5.010 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1 518588542 OCVHUUYQGIVJFB-XMMPIXPASA-N 487.968 5.910 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 518660105 JXUPOAZAJBBLII-GOSISDBHSA-N 471.648 5.144 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(N2CCCC2=O)c1 519012838 WYYHBBXRTCMRQX-FQEVSTJZSA-N 468.557 5.341 30 20 JKED Cc1cccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)c1 519127818 QRMAYXRYTQHZST-RUZDIDTESA-N 453.567 5.621 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 520427304 CBYCNFCFAGCFEW-OAHLLOKOSA-N 479.533 5.916 30 20 JKED CCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 520515145 IZTRRQGOXDSSKS-FQEVSTJZSA-N 453.951 5.009 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 520837500 XOIRFMGLYGHGTR-MWTRTKDXSA-N 454.567 6.689 30 20 JKED Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1NC(=O)CN1CCCCC1 520870448 LXTGRPQHIAQESE-UHFFFAOYSA-N 498.652 5.836 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1C 521303520 OARNUPXBUSHWAE-UHFFFAOYSA-N 451.530 5.829 30 20 JKED N#CCCn1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 521326697 GMTOWFGFCQGJFP-INIZCTEOSA-N 476.905 5.125 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc(OCC)c2)nnc1-c1ccc(Cl)cc1 521729911 YJKQRNIUUMZMPJ-INIZCTEOSA-N 456.999 5.153 30 20 JKED CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 523901004 FUOBFDQYLVUJTC-SFHVURJKSA-N 454.958 5.020 30 20 JKED Cc1cc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)n2c(nc3ccccc32)c1C#N 585737052 CRIRLPATCSQHHX-INIZCTEOSA-N 472.599 5.318 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c12 590454311 ZIDIMEMVJWZYOK-UHFFFAOYSA-N 497.609 5.212 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 603568019 ATEOWBZQNJLQSA-OQKWZONESA-N 463.537 5.475 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(Cc4csc(-c5ccccc5)n4)CC3)cn2)c1 603691205 HZSZUXKGNRRUPU-UHFFFAOYSA-N 496.596 5.219 30 20 JKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC3 603831557 YJASDSKGMBJWME-UHFFFAOYSA-N 450.542 5.712 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 604249179 BDMNGDZCWOWLIA-UHFFFAOYSA-N 462.475 5.090 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccn(-c4cccc(F)c4)n3)s2)c(C(F)(F)F)c1 604430444 FYXUQDJXMUMZFS-UHFFFAOYSA-N 471.439 5.201 30 20 JKED CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604522858 KQTTWHKDBCTLEI-LEWJYISDSA-N 479.631 5.334 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3nnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)cn2)c1 604528454 OYNBNQUPBYFHKL-UHFFFAOYSA-N 490.445 5.475 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 604562099 FICLTFAZBJYOPL-LJQANCHMSA-N 468.513 5.912 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 608995607 TYMIKNXVQQBRQV-HSZRJFAPSA-N 451.885 5.748 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccnc1SCc1c(C)noc1C 609062102 XMTGFSPTOKERST-UHFFFAOYSA-N 484.581 5.990 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 609078517 WFAWGMWWEWSONC-UHFFFAOYSA-N 488.975 5.089 30 20 JKED C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609200284 RMPDOQXDLXSOMM-OYHNWAKOSA-N 486.435 5.357 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(OCc4cccc(F)c4)c(F)c3)CC2)c1 609208614 XYEIAHHKKZPJRL-UHFFFAOYSA-N 463.484 5.491 30 20 JKED COc1ccc(-c2csc(NC(=O)[C@H](C)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1 609387276 WFKCQPNEKZLTEH-HOTGVXAUSA-N 452.605 5.510 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 609398723 MKSYMUQDMFOXBA-PGRDOPGGSA-N 487.069 5.565 30 20 JKED Cc1ccc([C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2ccc(F)cc2Cl)cc1 609401726 VKFPVFCGBYAPSF-QHCPKHFHSA-N 493.970 5.146 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)c1 613315638 VRTMJGPCVAGSRB-XMMPIXPASA-N 497.576 5.635 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)c1nc2ccccc2o1 614439636 BDBNIVKGOAPLFH-AWEZNQCLSA-N 453.882 5.733 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ccccc2F)c1-n1cccc1 642158867 WWDYRYIRPSVMHL-FICVDOATSA-N 488.407 5.441 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 642281460 GDCRDLSTEFMEHN-JTTALYROSA-N 475.614 5.218 30 20 JKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1[C@@H]1COc2ccccc2O1 644969214 LVXKCNIXMHYFGJ-PBHICJAKSA-N 480.619 5.034 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)cc1 726396969 GGWJPYJLJDLLMN-IIBYNOLFSA-N 474.026 5.342 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCC)c1 726414266 ZBRDIIZXEQWNPM-LJQANCHMSA-N 459.493 5.057 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(OC(C)C)cc2)no1 726415329 JXSYGYPNUQGKKK-QFIPXVFZSA-N 496.564 5.070 30 20 JKED C=CCOc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1Cl 727256436 VVNXWYCMGWTGPV-UHFFFAOYSA-N 469.781 5.553 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4nc5ccccc5s4)CC3)n2)cc1 727632775 SXWPOOBNQRWDPP-LJQANCHMSA-N 469.595 5.384 30 20 JKED CC(C)c1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)NC(=O)OC(C)(C)C)cc1 729058366 KJTDITFDHPTZAC-QHCPKHFHSA-N 450.583 5.089 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O)Nc1ccccc1Br 730461142 LGUWPPRKAPGXKP-GOSISDBHSA-N 494.361 5.240 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730687220 MIBNYJXNYHYPOT-CQSZACIVSA-N 475.904 5.104 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2F)c(C)s1 730708773 IQMKXWMUHGDBSN-AUUYWEPGSA-N 483.594 5.016 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730942081 CPYGKUNRPGXBHW-MBSDFSHPSA-N 474.586 5.120 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731075218 XFTZSJVGOJXLHW-OAHLLOKOSA-N 483.590 5.229 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C)c1 731306851 DNKMIUGPJJJGPG-DEOSSOPVSA-N 489.597 5.008 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731312635 NQOKEBBCOAXUBO-LOSJGSFVSA-N 496.592 5.220 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(C#N)cc2)NC(=O)N1Cc1cccs1 732017825 WIVAMUJWQIVKQQ-JOCHJYFZSA-N 496.514 5.818 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)cc(Cl)c1OC 744807269 SMDYWRKHWUXRPG-UHFFFAOYSA-N 460.987 5.212 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cs1 745626039 HVVRXOUQZLVSMK-YFHOEESVSA-N 467.934 5.334 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C)cc1C 746696176 KJXHPKARQNKYBE-QFIPXVFZSA-N 453.608 5.080 30 20 JKED COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(OC)c(OCCCC#N)c3)s2)cc1 747361292 KHOIINIKKINUDI-AQTBWJFISA-N 484.965 5.227 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O 747600947 RRUIBPRRMWPZPJ-NRFANRHFSA-N 480.615 5.092 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cscn2)C1=O)Nc1ccccc1 747601075 DKRIBOJQQDENDZ-QFIPXVFZSA-N 472.595 5.457 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cscn2)C1=O)Nc1ccccc1 747601100 DYMJGNHORIAPCM-GOSISDBHSA-N 491.425 5.610 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cscn3)C2=O)cc1Cl 747602238 JZFPCMRZTKBISL-IBGZPJMESA-N 488.997 5.405 30 20 JKED Cc1cc(C#N)ccc1Oc1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1 856572601 CPRVLSZRLFUVEY-JOCHJYFZSA-N 456.546 5.605 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccnn2C(C)C)ccc1Cl 863214709 FQMPWNVIYUPSSA-UHFFFAOYSA-N 493.416 5.404 30 20 JKED C=C(Cl)CSc1nc(C)c(Cc2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)no2)s1 904704463 KTPRJQSSTAOFDW-ZDUSSCGKSA-N 457.021 5.342 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 914543281 HTFHWRGITUWKDT-ZHRRBRCNSA-N 496.995 5.273 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915084996 CREBBNJSPUEZPF-VPUSJEBWSA-N 464.569 5.145 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2ccccn2)c1C 916208024 RHDCOKZFXDMSRK-HSZRJFAPSA-N 476.577 5.041 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(Cl)cc1 916211456 OASRAWQQGICILQ-IBGZPJMESA-N 480.417 5.299 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916211992 STQGCLBODFCVGW-IBGZPJMESA-N 490.944 5.290 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(C[C@H]2CCCO2)C1=O 916217651 UACBVUXODPBTQR-NFBKMPQASA-N 495.645 5.232 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 916383783 SCBDXNHMBPMWTN-XTEPFMGCSA-N 473.532 5.537 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cn(Cc2ccccc2)c2ccccc12 916903117 OFWSLFWJCOIOLK-HXUWFJFHSA-N 471.944 5.621 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)C(=O)Nc1ccccc1Oc1ccccc1 916905029 HRRPYEUAYSQAJQ-OAQYLSRUSA-N 484.487 5.338 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 916947776 BAJGTEIGUNTCPZ-AOMKIAJQSA-N 471.605 5.847 30 20 JKED CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976074 IZZZHXMQXDLWJP-PMACEKPBSA-N 484.984 5.447 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)n2)cc1 917428451 UIJUQOLJUJSARV-UNMCSNQZSA-N 458.587 5.547 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(C)cc4)n3)cc2c1C 917560485 OJMCXXWFNIIWBG-YFHOEESVSA-N 491.594 5.737 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3ccc(Br)cc3C2=O)cs1 917560702 WJKBBNCSPSZAEX-MDWZMJQESA-N 473.323 5.388 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(CC(F)(F)F)C1=O 917711569 BGUXFTBNEAVQRH-LJQANCHMSA-N 479.524 5.341 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(OCC)c2)c1 917781104 NQBYNONNDWPYCT-UHFFFAOYSA-N 470.978 5.372 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)cc1 918445395 GBLBJVMNBDFFTC-VMPREFPWSA-N 473.576 5.771 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cn1c(C)c(Br)c2ccccc21 918487539 OSRSXVRWQWZLEO-IBGZPJMESA-N 466.379 5.185 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1 919908519 JDOJAWDKKABTEM-UPIHBEMDSA-N 476.602 5.022 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 920102437 SPYJNDKZGYNOSN-GDBMZVCRSA-N 478.599 5.017 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-])c1ccccn1 920111322 MAVPOJHFTRRCIL-FZKQIMNGSA-N 498.326 5.431 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc3cccc(F)c3c2COc2ccccc2)n1 920326737 AHKHPTOWPXNORI-HNNXBMFYSA-N 480.542 5.743 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(-n3ccnc3)c(F)c2)C1=O)Nc1ccccc1 920356871 VVHLYXPRPKJQQZ-XMMPIXPASA-N 499.571 5.172 30 20 JKED Cc1c(C(=O)/C=C/c2ccccc2OCc2ccccn2)nnn1-c1cccc(Br)c1 920389661 RNZVTLKEXCMQNM-OUKQBFOZSA-N 475.346 5.208 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Oc2ccc(OCc3ccncc3)cc2)cc1C 920838410 ABQZIMHQICCMJO-UHFFFAOYSA-N 452.514 5.274 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1C 920894553 QSQXGMBIBFMFHN-MRXNPFEDSA-N 485.371 5.571 30 20 JKED CCc1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)nc(O)c1C 1166308316 XFUJOHHVLOALME-CQSZACIVSA-N 458.653 5.258 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(Cl)cc1Cl)C2 1779274267 QYLAQXIVNWVTPN-WHSBFGAESA-N 493.475 5.208 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(CC(C)C)cc1)C2 1779512245 QYHLASNLJXRQBX-UFHPHHKVSA-N 454.655 5.005 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)cnc4O)cc3)CCC2)c(Cl)c1 1785778294 NRACETFYNQCGHU-UHFFFAOYSA-N 481.339 5.027 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnn5c(-c6cccs6)ccnc45)CCC3)cc2)C1 1785806609 DKUNTVMCNLZLRA-UHFFFAOYSA-N 483.597 5.172 30 20 JKED COc1ccc2nc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(C#N)cc5)cc4)CCC3)ccc2c1 1785881900 USMHQRHFVNQFCG-UHFFFAOYSA-N 490.563 5.105 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786391636 PSAWIPIWCHWITB-CGBRIMPHSA-N 477.674 5.453 30 20 JKED CC(C)c1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)co1 1787028050 FCMNMQNQQHDGTC-UHFFFAOYSA-N 462.937 5.385 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)s1 1787335891 LVVJBLCGNVUKNH-UHFFFAOYSA-N 498.530 5.712 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3nc4ccc(C)cc4s3)cc2)CCC1 1787573353 NQSJWUTYGDVHSL-KRWDZBQOSA-N 464.591 5.153 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)n(-c2ccccc2)n1 1788666113 HHSCECOUJAJEKF-UHFFFAOYSA-N 489.579 5.043 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cnccc45)CCC3)cc2)c1Cl 1790084090 XWQQBFVOXMUREP-UHFFFAOYSA-N 469.932 5.149 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5ccc6ccoc6c5)cc4)CCC3)c2c1 1790892394 JYBROUZQEJPDDI-UHFFFAOYSA-N 475.508 5.242 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)c(F)cc4nc3Cl)CCC2)cc1 1791577115 LQFSHFSKULERRW-LBPRGKRZSA-N 475.948 5.232 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CCC2)cc1 1791586043 UAQFAUBSNDQJCW-HSZRJFAPSA-N 483.653 5.206 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1791730621 NZDVJEWNDLUBPP-NRFANRHFSA-N 469.626 5.008 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(ccc5ncccc54)s2)C3)cc1 1792482016 CQTLOVFSJJAPAU-KOUNCHBCSA-N 494.620 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ncccc13)C2 1793051473 CIUKJOSPKREVEO-BKFWDETESA-N 480.612 5.317 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 1796898048 XVYAOWRQAOYLKU-QBQZLBCUSA-N 470.594 5.106 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cc2ccccc2o1)c1ccccc1 1797701377 ULDNYFZOULERHJ-WVECAABJSA-N 466.581 5.281 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1 1797988345 CKIUZYOIFKHQGS-YRPNKDGESA-N 459.512 5.207 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(Cl)cccc2Cl)c1 1799549857 UMXUFXYTMQGMBW-DQEVTTJGSA-N 456.373 5.186 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C)C1 1800175498 JLWNMUTVNGRPTJ-KIHHCIJBSA-N 489.701 5.235 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncc(Cl)cc2Cl)[C@H]1c1cccnc1 1802365919 SLJFTHZORTVDNT-DYESRHJHSA-N 475.420 5.095 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(C)(C)CC1)C2)c1ccc(O)cc1 1802423436 OELGQBYPTILUTB-ZKGSSEMHSA-N 464.650 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803229114 UKKHHYRMFIHYCY-KMQNXVAFSA-N 494.079 5.949 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccc(Cl)cc4)no2)C3)c1 1803679628 SNQHOUASICEJMH-LTFXSFKNSA-N 488.975 5.188 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(Br)c(Cl)cc4C)CC3)C2)C1 1804782254 NKWRXVIBRHDPBD-UHFFFAOYSA-N 479.846 5.222 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)C1 1804858869 RJUXUGXZSIDLJY-UHFFFAOYSA-N 456.030 5.659 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3cnc4ccccc4c3)C2)CC1 1805313851 KYBGDJRSAWHHNV-UHFFFAOYSA-N 461.650 5.391 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CC2)C1 1806065235 CRPZFHXDOYUHHK-XMSQKQJNSA-N 484.628 5.081 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)C1)c1ccccc1 1809162126 KEFULSRQFZHNFI-DFHRPNOPSA-N 489.635 5.301 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1810178574 QWMMQQRSRCHFMC-LGVFNWMJSA-N 485.550 5.497 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1810501752 CUHHSESEYPGTJD-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=CCC(=O)N1CCC2(CCCN(C(=O)c3cc(Br)c4ccccc4c3)C2)CC1 1810761853 SQRIBAVHPOKACT-UHFFFAOYSA-N 455.396 5.023 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc4occ(Cl)c4c3)[C@H]2c2cccnc2)cc1 1811359615 CXEZHMVUSWFTDI-GJZUVCINSA-N 498.970 5.181 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c1Cl 1811423489 AOMXQOGLVFWRNU-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(Cl)cn3c2C)[C@H]1c1cccnc1 1812258482 WITSICMIALIEOU-GBXCKJPGSA-N 494.039 5.003 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CCC3)[C@@H]2c2cccnc2)cc1 1812514434 SAJGYTPJRARKLY-OZXSUGGESA-N 499.014 5.048 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1812676257 NVTBRTCIBYHNMW-HOFKKMOUSA-N 491.582 5.393 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1812755858 SVIRUJIMDAMWEU-CNPGNWEMSA-N 487.003 5.038 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(F)c(C#N)c2)[C@H]1c1cccnc1 1812808210 GAIFRRXDZDQODY-FIPFOOKPSA-N 492.639 5.337 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1812809063 LJSXPUQNBJPPSK-ATIYNZHBSA-N 495.067 5.923 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1813830049 HIMJWOYOFDVMAL-REWPJTCUSA-N 454.014 5.355 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c1 1813869468 HLKJELGDDMBDEO-FTGWLVSGSA-N 490.966 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813973239 QXMLELTZJVFLBK-JTSKRJEESA-N 492.422 5.840 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1814301848 PMOMYSYBSPZAIG-GIGWZHCTSA-N 487.669 5.101 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814738371 AJWQUMRIKIAKES-LAUBAEHRSA-N 493.658 5.149 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)n[nH]1 1818434444 FCAGDZXJXCLQNN-FQEVSTJZSA-N 465.941 5.132 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)oc2ccccc12 1818570003 SSSVOLBVUQSQMH-NRFANRHFSA-N 487.947 5.609 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)cc12 1819052110 KEAVZDATUJTCLH-VWLOTQADSA-N 480.572 5.010 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)[nH]n1 1819301615 MKOCCQSYTVMIKE-VQIMIIECSA-N 487.000 5.155 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1819307515 IEIIGFXGOSFEQK-AUSIDOKSSA-N 498.587 5.620 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1 1819359035 FUFWTJFPXNPXEI-DTKKNGCVSA-N 485.613 5.396 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)[nH]n1 1819554772 NULVKKCGSMXODW-JOCHJYFZSA-N 463.582 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1819556603 HFPSAIFZWGECFO-GOSISDBHSA-N 485.610 5.095 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(F)c(Br)c2)n[nH]1 1820688020 SPXFSFAQVFIIRQ-MGPUTAFESA-N 491.405 5.148 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 1820977781 YCWSYJAPCLTVGH-CYFREDJKSA-N 473.577 5.184 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821610983 GDMNLDMBCCVLDX-FQEVSTJZSA-N 478.499 5.826 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212211 GSGWHDLGBVBCDG-VGOFRKELSA-N 488.617 5.163 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(s3)CCC4)[nH]n2)c1 1823212744 YYCOFDCSZUDQAY-IIBYNOLFSA-N 473.602 5.207 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)C1 1823701595 NKJHIPOZRZMHGY-XMMPIXPASA-N 451.998 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc(Cl)c2)CC1 1823751238 NCAKRSSNBZTXIU-HSZRJFAPSA-N 461.046 5.331 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccc(Cl)cc1 1823976487 FQLWIERXEKOMJX-BCHFMIIMSA-N 496.026 5.317 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1824387937 RVVJGOXTJPXERB-FJYVLNHRSA-N 496.698 5.288 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)c3ccccc23)CC1 1824514629 SRXGMSQOLCPGRH-LXFBAYGMSA-N 476.661 5.292 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](F)c3ccccc3)CC2)cc1C#N 1824863268 KARICCOSTDVGHL-AHKZPQOWSA-N 491.607 5.290 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825574444 AUZQNKRQBSAENN-QHCPKHFHSA-N 473.539 5.266 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)cc1 1826499735 XXYBHKYEQAVYDJ-AREMUKBSSA-N 478.036 5.007 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1827354874 AADPKQZOXUOVPK-HSZRJFAPSA-N 485.550 5.577 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828168563 FLQSWCIVHHPXBL-XMMPIXPASA-N 483.603 5.351 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828414269 GZOIDAVVJHRMHO-XUZZJYLKSA-N 454.577 5.292 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ncccc2C)CC1)c1ccccc1 1829029590 CXXPSZSFOBJAKV-LMSSTIIKSA-N 485.672 5.140 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829139700 IYYOJYAQDBKXCM-NRFANRHFSA-N 495.662 5.318 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1 1829420225 VRBYHJRMCSNBRY-RUZDIDTESA-N 498.652 5.158 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)c1 1829675940 MEQOSOGISDIPKZ-WUFINQPMSA-N 487.644 5.240 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c(Cl)c1 1829689338 BASSYBHYHNPWMG-QHCPKHFHSA-N 495.410 5.284 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 1830422812 AVDXGVUADCLYCL-AREMUKBSSA-N 463.666 5.592 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC#N)CC2)cc(C(C)(C)C)c1 1830644017 UHCJHJQALYCJDB-XMMPIXPASA-N 451.655 5.429 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831776444 ONWHRZHOKUHNCF-FGZHOGPDSA-N 485.650 5.075 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1832034091 IVMINRNRBHLWJJ-DEOSSOPVSA-N 455.042 5.185 30 20 JKED C[C@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC=CCC1 1832406652 KLGSHJKWQNXTFK-OZXSUGGESA-N 487.566 5.557 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634023 NLLFNLWSGGBLGA-CZSZKKDXSA-N 490.673 5.123 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832635751 QTZJRZVOXPRGQR-ZTOMLWHTSA-N 499.655 5.650 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)CC1 1832830541 UZCFKICHKRXOPQ-MHZLTWQESA-N 460.593 5.063 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)CC1 1833079282 VCSZAPVBLFCCMA-YHBQERECSA-N 459.719 5.013 30 20 JKED O=C[C@H](Oc1ccccc1)c1cc([C@H](C=O)Oc2ccccc2)cc([C@H](C=O)Oc2ccccc2)c1 2048532648 ABLGISRFGRXNOQ-DTXPUJKBSA-N 480.516 5.644 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 11089467 WAPYZVKRSSMMSX-UHFFFAOYSA-O 458.434 6.511 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)c1C 11159388 NISDNDBZWCETSV-UHFFFAOYSA-O 491.420 5.372 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1cccnc1 16768608 VZGXJUDLWRLQNI-JOCHJYFZSA-N 457.559 5.007 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1 22217409 LUTYWIJDNQXLJL-GFCCVEGCSA-N 451.354 5.696 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nc2sc3c(c2c1=O)CCCC3 23404859 SOUWNBCZUMJRRT-NVXWUHKLSA-N 485.700 5.429 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(CC#N)cc2)n1-c1ccc(C)cc1 24105351 UIULXPFSXZRZSR-UHFFFAOYSA-N 469.570 5.048 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)n(-c2cccc(F)c2)c1C 24718159 RFGMHQOOZPHDRO-UHFFFAOYSA-N 465.485 5.025 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 32786515 YCWZJDLBQGEEPB-QGZVFWFLSA-N 477.659 5.376 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(F)cccc2F)c1 68798545 SIPARLBACZKIOO-UHFFFAOYSA-N 497.350 5.905 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(Cl)ccc2Cl)=C(\S)Nc2cccc(Cl)c2C)c1 71793488 JYBLZCNSXBVVQF-UHFFFAOYSA-O 464.825 6.602 30 20 JKED Cc1cc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c3c(C)noc3n2)c(C)o1 71943103 HRQWYJIEASWASW-UHFFFAOYSA-N 468.435 5.484 30 20 JKED CCCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1[C@H](CC)N(C)C 195538438 RVQXLSXQXXLUSV-SFHVURJKSA-N 474.700 5.024 30 20 JKED COCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)sc2cccc(F)c12 303208339 QEAQRFNBKAQNCA-UHFFFAOYSA-N 460.530 6.198 30 20 JKED Cc1ccc(C(=O)CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487389109 SZWYVNBUDZDFSX-UHFFFAOYSA-N 457.477 5.534 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)cc1C 499394946 QCARQWKFKNLHNS-UHFFFAOYSA-N 485.588 5.104 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Oc3ccccc3)nc2)cc1 503828421 ZGPYIGGVEILUQJ-UHFFFAOYSA-N 451.551 5.968 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCCc2ccc(Cl)cc2)c1 503861982 POEZXRFWZYUUAR-UHFFFAOYSA-N 463.990 5.305 30 20 JKED Cc1nc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)sc1SCC#N 504830422 GLAMNLROVXHZBJ-UHFFFAOYSA-N 485.431 5.202 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1F 507041077 OGAYTQITJUHFLK-FQEVSTJZSA-N 463.940 5.167 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 508433736 MEIPSPQODKEWAR-UHFFFAOYSA-N 456.477 5.553 30 20 JKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 509946348 WXVXEQMADBIASX-UHFFFAOYSA-N 462.481 5.627 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCOc3ccc4ccccc4c3)s2)cc1 510231339 PLVNXHFWTPIRIU-UHFFFAOYSA-N 461.572 5.056 30 20 JKED CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2ccccc12 511206357 DMBCDMDTWGYSMY-UHFFFAOYSA-N 459.527 5.407 30 20 JKED COc1cc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OC1CCCC1 511485043 WNYYJNRFSGAQRN-UHFFFAOYSA-N 484.556 5.462 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2C(F)(F)F)cc1 511562110 KVJMUNSVARKTCI-UHFFFAOYSA-N 476.458 6.424 30 20 JKED N#C[C@@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc(O)c2c3c(sc2n1)CCCC3 513655649 SQNBNUNRZODILX-ZDUSSCGKSA-N 468.332 5.274 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SC[C@@H](C#N)CCC#N 514594891 KCRUMAJEMAHHFR-UJMXGEILSA-N 453.587 5.529 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc2cc(Cl)ccc2s1 515539345 LSAHUUNDVDQIAQ-IBGZPJMESA-N 471.925 5.236 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 518649011 IARHQQBOBBKSGU-KDURUIRLSA-N 451.592 5.113 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1C 518745759 OASZYBAYKASNSP-UHFFFAOYSA-N 479.588 5.318 30 20 JKED COc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cs2)cc1OC 521770146 ZYOJYGDTMMKSQY-INIZCTEOSA-N 462.358 5.058 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCN(CCc3ccccc3)CC2)cc1 523521610 ULODVWQDTAYEBS-UHFFFAOYSA-N 470.592 5.116 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)c1 524414252 RCPWOQQOXGNPSR-QFIPXVFZSA-N 473.960 5.282 30 20 JKED COc1cc(CCC2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)cc(OC)c1 524434498 VJKCPKMEAIABAB-UHFFFAOYSA-N 459.493 5.054 30 20 JKED COc1cc(CCC2CCN(C(=O)c3cc(C4CC4)nc(SC)c3C#N)CC2)cc(OC)c1 590981645 IRMCKXRKQHPBHZ-UHFFFAOYSA-N 465.619 5.055 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 591862525 UOGKECDTAKFZEW-GOSISDBHSA-N 481.455 5.696 30 20 JKED C[C@@H](NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)c1c(F)cccc1F 594459106 WCKCLGAPSLKUII-MRVPVSSYSA-N 480.771 5.646 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c([N+](=O)[O-])cc1OC(F)F 603613591 DRSOSCKFFKKDOB-AWEZNQCLSA-N 459.430 5.127 30 20 JKED Cc1nc(COc2ccccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cs1 603738879 FODDKGVICJBMRL-UHFFFAOYSA-N 456.527 5.650 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1Cl 603766754 WRUNWZJEEDDEOY-IRLDBZIGSA-N 463.990 5.690 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@@H](c3ccccc3)c3cc4ccccc4o3)CC2)cc1 603802773 MZCHTBFLMADRET-NDEPHWFRSA-N 464.569 5.311 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)CC2)cc1 603814383 AHMRFQYPAOZAEW-UHFFFAOYSA-N 488.588 5.216 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)cc1 604089854 OFAHLSFJVKZWMF-UHFFFAOYSA-N 474.948 5.302 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(Br)cc1 604133381 WRZMVGFTEOKTOM-CQSZACIVSA-N 498.764 5.582 30 20 JKED COCCNC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 604441536 LFWFPIROUUFQCR-UHFFFAOYSA-N 479.989 5.132 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)CC1 609023676 RYVVTFRZZUOJSL-XMMPIXPASA-N 499.521 5.068 30 20 JKED Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cccc1OCC(F)(F)F 609049566 MXQUFGHMRLBRLG-UHFFFAOYSA-N 471.454 6.181 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc2)n1 609063290 WOGLHPQXIZTAPD-UHFFFAOYSA-N 490.972 6.027 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 609063925 FNOJRAWOMQQCKD-LJQANCHMSA-N 459.571 5.145 30 20 JKED CC1CCN(Cc2cccc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2)CC1 609078011 KKWKWFRJCLAZNH-UHFFFAOYSA-N 482.628 5.885 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NC(c1ccccc1)c1ccccc1 609083669 FXBNFVUHBFWQGE-UHFFFAOYSA-N 475.548 5.290 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 609141603 CVNCYJTUPYADRL-UHFFFAOYSA-N 464.525 5.207 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c12 609378355 DQQHTBHHVOOZFK-UHFFFAOYSA-N 474.508 6.330 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 609398120 IKPLPTIHZMDVDA-QGZVFWFLSA-N 455.580 5.031 30 20 JKED O=C(NCCOc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804773 VZWFEXAOAQZRQY-ITGUQSILSA-N 466.344 5.293 30 20 JKED CC(C)(C)n1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C1CC1 613344214 AUFHLFPHCVCIOI-HNNXBMFYSA-N 459.402 6.436 30 20 JKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)c(Cl)cc1Cl 618547161 HRWUIRSTCFEBGN-HLTSFMKQSA-N 455.201 5.966 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1cccnc1 623014716 AGPQDYQFTKBFKS-IBGZPJMESA-N 455.587 5.236 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642689269 YZWUSTMJHYLJRO-KBPBESRZSA-N 460.340 5.266 30 20 JKED C=CCn1c(SCCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccccc1 644193118 XOQWICWRFXIPOG-QHCPKHFHSA-N 460.628 5.581 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2Cl)cc1 725888757 PYSQASLFGQPUKN-UHFFFAOYSA-N 463.118 6.067 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cscn2)c1 726412462 RHCKLFDCGQUJNC-OAQYLSRUSA-N 495.029 5.247 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC(C)C)cc1 726416535 WZTNUTKKGMBAMQ-FQEVSTJZSA-N 491.535 5.639 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CCc2ccccc2)C1=O 726421312 MDDNONBGCWBWPW-CBECUCKHSA-N 493.654 5.389 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3cccs3)C2=O)cc1 726421397 QGFXCXIAJJAEIS-BUOZQURKSA-N 497.667 5.602 30 20 JKED CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2C1 728003553 XTCOJBDSDSGFLP-UHFFFAOYSA-N 473.529 5.128 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)cc1 728125204 PUQIPSWNULWGOX-UHFFFAOYSA-N 455.436 5.508 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1NC(=O)c1ccccc1 728147084 PSNCBQWPOSWRRC-IBGZPJMESA-N 466.493 5.901 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1c(Cl)ccc(C)c1Cl 728429379 HEWADLVUBKRTNR-GOSISDBHSA-N 494.444 5.106 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1F 728780318 QIAXTGIDGHGCLI-NRFANRHFSA-N 487.000 5.750 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 728842318 MBCXGRUTOIXKAA-UHFFFAOYSA-N 461.525 5.092 30 20 JKED C#Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccc(C)o2)CC3(C)C)nc1 729012140 KNVQIEYZPVXQRO-JXMROGBWSA-N 497.576 5.471 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 729889902 UXKFCIILTZUASL-HSZRJFAPSA-N 479.584 5.765 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C)c(F)c1 730535120 HHTUWAKGJFUUDM-SFHVURJKSA-N 497.564 5.056 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccccc1Oc1ccccc1 730687056 LLHCWQNWJWCFCZ-GOSISDBHSA-N 475.957 6.022 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 730996187 WEHPBADOCXHPIL-JXMROGBWSA-N 487.547 5.602 30 20 JKED C=C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)CC1 731052594 ZIGWFHPAFUPXQZ-UHFFFAOYSA-N 459.782 5.240 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1F 731308781 OCERSYATBOZDQT-HXUWFJFHSA-N 469.563 5.062 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2)cc1 731311627 FGBLSTYUDUFQGT-DEOSSOPVSA-N 489.597 5.340 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(F)c(C(F)(F)F)c2)n(C2CCCC2)c1C 743058499 VJQBRKMIEVMIAA-UHFFFAOYSA-N 451.420 5.045 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c1 743524458 JYQKEGUUJVIHCR-HNAYVOBHSA-N 497.514 5.062 30 20 JKED N#Cc1ccc(COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)cc1 746751181 QBTDUKVSEKJSJW-MUUNZHRXSA-N 473.532 5.277 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(COc3ccccc3)c2)CC1 748986508 VPGMTLYTKPKIDW-UHFFFAOYSA-N 463.541 5.040 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3Br)C2)cc1 750688566 FHZNOBIPKDQYJQ-VWNXMTODSA-N 476.374 5.710 30 20 JKED CC(C)(C)c1cc(C=Nn2cnc3ccc(Br)cc3c2=O)cc(C(C)(C)C)c1O 767315169 VGTKOBYIHCFDKA-UHFFFAOYSA-N 456.384 5.342 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(SC(F)F)cc1 799210785 WZCAQFDGSLWJJW-SFHVURJKSA-N 463.575 5.598 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 828802797 PACLRYIYMJWWOT-LFVJCYFKSA-N 474.582 5.062 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N([C@H](C)c2ccccn2)C1=O 837404305 ZPDGMAXZWGBTFT-NTKDMRAZSA-N 488.613 5.429 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C3CC3)CC2)c1 837448794 MXQGQXFEYNSHQR-DEOSSOPVSA-N 494.636 5.030 30 20 JKED C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 851871694 SQQIVZKJVFRXCC-BYPYZUCNSA-N 450.738 5.569 30 20 JKED N#CCCN(C(=O)CCc1nc(-c2ccc(COc3ccccc3)cc2)no1)c1ccccc1 904441870 GQUOGCHADFWBDJ-UHFFFAOYSA-N 452.514 5.195 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3cccnc3Oc3ccccc3)no2)nnc1-c1ccco1 904450396 BQKWDWXDJCKCAO-UHFFFAOYSA-N 472.530 5.644 30 20 JKED C=CCn1c(SCC(=O)Oc2ccccc2Br)nnc1-c1ccc(Cl)cc1 914436677 ANYMMDFHGPSDOG-UHFFFAOYSA-N 464.772 5.245 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2OC)cc1 914773142 ZJACAIFJLQRETK-DEOSSOPVSA-N 489.597 5.002 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@H]1c1ccccc1OC 915085097 GCHNDYYBNOWZEP-PVTPYKNESA-N 495.623 6.069 30 20 JKED CSc1ccc([C@H](CNC(=O)c2ccccc2SCC#N)N2CCc3sccc3C2)cc1 915634509 FMEJEIXNJZNNQP-QFIPXVFZSA-N 479.696 5.615 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc1OC 916155104 IJFVQWSDGLOBPN-LDADJPATSA-N 450.947 6.374 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C1=O 916205031 CURMYOHVBALRPW-HSZRJFAPSA-N 477.586 5.572 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)cc3)C2=O)c(OC)c1 916210482 GNYOGRSRUIGEDL-DEOSSOPVSA-N 489.597 5.173 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccco3)C2=O)cc1 916217624 RTDYHMXBUCPKJD-QFIPXVFZSA-N 475.570 5.260 30 20 JKED Cc1nc2scc(C)n2c1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O 916272550 BDCSQUYEIFSAPQ-UHFFFAOYSA-N 453.980 5.295 30 20 JKED CC(=NNc1ncnc2sc(-c3ccccc3)cc12)c1ccc(OCC(=O)N2CCCC2)cc1 916312358 USJXIPALWYUBJN-UHFFFAOYSA-N 471.586 5.196 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc12 916887971 QZGQCOOPDJOCEJ-CYBMUJFWSA-N 494.317 5.215 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 916891720 YOOIULAZLZBBDM-IBGZPJMESA-N 465.849 5.010 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 916902685 GQEATMIQPIMVLK-HXUWFJFHSA-N 487.560 5.221 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)cc1OC 916935607 UBHDEOBNAVKCIR-GOSISDBHSA-N 473.554 5.044 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916937666 FQDHYODGAJBHIQ-HZMBPMFUSA-N 455.736 5.070 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCN(c4ccccc4Br)C3=O)n2)cc1 916974823 RTEPJSQYBPMGOA-IAGOWNOFSA-N 480.387 5.110 30 20 JKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1csc(COc2ccc(Cl)cc2)n1 918709765 VMVZEZOKXHRFEA-UHFFFAOYSA-N 462.387 5.458 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cc(C)on3)C2=O)cc1 920354600 FEMPKBISVFXLIU-QFIPXVFZSA-N 462.575 5.069 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3c(C)noc3C)C2=O)cc1Cl 920355189 LUDWOBOVQQBEPB-NRFANRHFSA-N 482.993 5.414 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(N)c(Br)cc4C)CCC3)cc2)C1 1785806985 AGLFUYYEGQRECT-UHFFFAOYSA-N 468.395 5.054 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)CCCOc3cccc(Br)c3)CCC2)cc1 1787885630 VZPOXRZQHVBGEV-UHFFFAOYSA-N 484.394 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4N)cc3)CCC2)c1 1788074118 XGMQMCLOUCHDAR-XMUSRXTASA-N 464.569 5.357 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1 1789515511 XNOUQZFGBXVITL-JVWAILMASA-N 473.404 5.213 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)CCC1 1789869292 MFDPIAIRTKKZPS-CQSZACIVSA-N 481.902 5.093 30 20 JKED Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)c1 1790816648 SOKZMCKDXRLQLG-UHFFFAOYSA-N 462.550 5.003 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)c1 1790836989 IMLLHYIEFSHBSM-GOSISDBHSA-N 488.551 5.123 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@H](C)N3C(=O)OC(C)(C)C)CCC2)cc1 1791295906 BAEPWLYBMSSYOU-PXNSSMCTSA-N 491.579 5.120 30 20 JKED COc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792123059 ZFJQQJFNAPJNNI-HXUWFJFHSA-N 467.569 5.313 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ncn(C)c4C(F)(F)F)CCC3)cc2)c1 1792123461 CNPMYFPJWOXZJK-MRXNPFEDSA-N 495.505 5.127 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCC(F)(F)F)CCC2)cc1)NC(=O)OC(C)(C)C 1792203996 DARZZIDTJDDPMS-LJQANCHMSA-N 497.558 5.323 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204217 RAXZJLXTVSKMKQ-QFIPXVFZSA-N 495.620 5.206 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792206949 ZDKYMYQSMYAPEE-NZQKXSOJSA-N 481.637 5.336 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C)C2 1793052695 LOMLBCHCXARQPA-KOUNCHBCSA-N 481.637 5.362 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(C(F)(F)F)CC1)c1ccccc1 1793926055 VGDXGIORLUFARD-DLDWUFQQSA-N 474.567 5.191 30 20 JKED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCc1ccccc1)C2 1796047875 CXLKVZTVINWXRR-LGKQTMLJSA-N 494.724 5.270 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(CC(C)C)oc2ccc(OC)cc12 1796430438 JIMUYSKXXFIJOT-ADYITMSISA-N 478.633 5.660 30 20 JKED Cc1nc2cccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)C4)c2s1 1797385136 KBHNNHQCDUEDCK-REPLKXPHSA-N 498.530 5.061 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C2 1798421068 FSFNAZZDSHZWSX-REPLKXPHSA-N 482.594 5.147 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)c1 1799109710 CPGGALGGHJNAKM-QMZRJTEUSA-N 493.567 5.016 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[C@H]2c2cccnc2)C1 1802414105 WUDKYAYCMLNPNO-IDISGSTGSA-N 480.568 5.109 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1802501415 XIJYHIDDPAGINU-SQHAQQRYSA-N 488.676 5.384 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1804846281 PDTACLXSEZBDQC-RPLLCQBOSA-N 484.644 5.697 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CC2)C1 1806025011 FDMIXLQVIAQHLD-JOCHJYFZSA-N 487.644 5.250 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1807727489 AXMINFWEGFJCFJ-DVECYGJZSA-N 495.048 5.433 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808155241 DFRJHPOEHNHTLU-CJFMBICVSA-N 493.051 5.837 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808158443 IJIBHJAFHUQMPH-LSRZYVKLSA-N 464.997 5.057 30 20 JKED Cc1csc(CCC(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810275126 SIMCBDWHQHZNPL-YIXXDRMTSA-N 495.765 5.141 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc3ccsc3[nH]2)[C@H]1c1cccnc1)c1ccccc1 1810443379 HKYRCFCDMDBTGZ-USZFVNFHSA-N 496.636 5.141 30 20 JKED CC(C)/C=C/C(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811252127 SLSGQAXQGCUYRD-NXGHCZOSSA-N 477.608 5.013 30 20 JKED Cc1cc(C)c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c(C)c1 1811753848 WSYLHNSMLZHKTI-NVQXNPDNSA-N 487.003 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1812935497 PLFHLFBNFCAXJH-WXVAWEFUSA-N 490.623 5.333 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1813227560 HAMUFIJSDUKITI-BHBYDHKZSA-N 473.661 5.256 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c1 1813882458 HTCHKCBECNKEQN-BHAWFMJASA-N 492.623 5.221 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)cc1 1814499206 WCMKSBDHIXYHQT-XMMPIXPASA-N 485.588 5.007 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c1 1814622689 CTIRRTCRNXHKCU-NYHFZMIOSA-N 479.943 5.449 30 20 JKED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)[nH]n1)c1ccc(Cl)cc1 1814659202 ARZKQYBRHYQDST-WAIKUNEKSA-N 493.970 5.112 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cc(F)ccc3Cl)n[nH]2)c1 1815577067 OUGBXOWSWSRYLM-WAIKUNEKSA-N 493.970 5.378 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)C)on2)n[nH]1)c1ccccc1 1816597913 SSURTDKBWDNUHM-NZQKXSOJSA-N 473.577 5.024 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)n[nH]1 1817766681 PQFXVRFIXYAQJY-FQEVSTJZSA-N 483.494 5.373 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2)n[nH]1)c1ccc(O)cc1 1818708211 VGOZEDNZDDQLIR-CPJSRVTESA-N 496.567 5.365 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)n[nH]1 1820171778 OVOWBDUUMDGNMW-CQSZACIVSA-N 485.869 5.077 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N3CCCCC3)cc2)n[nH]1 1821137271 QOUIERSDUVILEB-NOZRDPDXSA-N 475.637 5.474 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1)c1ccc(Cl)cc1 1821179016 NUMFZJBNTBBTLR-GAJHUEQPSA-N 475.980 5.239 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)ccc2s1 1821182700 XWZFGMZWEKGJGA-JOCHJYFZSA-N 484.585 5.014 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)n[nH]1 1821286776 FNLGWJZFZIRYCC-IIBYNOLFSA-N 499.587 5.414 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1822397379 BABZBLMLVRXIIG-DEOSSOPVSA-N 465.557 5.507 30 20 JKED COc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1C 1823115100 TWTCFACNPMQVFE-QFIPXVFZSA-N 480.685 5.084 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)n[nH]2)c1 1823298997 AHLXGRCHOMAABA-FQEVSTJZSA-N 485.441 5.059 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)[nH]n2)CCC1 1823379053 WTLPTSKHTQMHJF-DEOSSOPVSA-N 492.583 5.329 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCCC2)[nH]n1 1823419625 BOFJHIIYVOGRSR-NRFANRHFSA-N 497.437 5.090 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)cc1 1823684015 PXHGXDAOSCUSON-HSZRJFAPSA-N 499.442 5.126 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1 1823684494 ZSAIKRBVLHMRDY-SANMLTNESA-N 496.026 5.146 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)CC2)c1 1823987935 ZOKLXEVJYVLIBD-VWLOTQADSA-N 481.999 5.135 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1824541677 IBIDDEHMXWPGLC-RBBKRZOGSA-N 462.059 5.009 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1824545048 RTVYOMOJNYMURV-WOJBJXKFSA-N 475.457 5.320 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1824961244 MAVODTXNPHISLL-HXUWFJFHSA-N 489.003 5.511 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)ccn1 1825432987 ONKNLASQLDMAAY-HSZRJFAPSA-N 493.051 5.451 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c(Cl)c1 1826269242 BSVVRWZSXGHBOI-XMMPIXPASA-N 456.030 5.415 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)CC1 1826371140 NWAGRWNSJIEQNQ-FTJBHMTQSA-N 452.639 5.016 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826782461 WTCGZTDDKLDSAD-BUXVXPHYSA-N 475.677 5.178 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sc(N)nc3c2)CC1 1826956497 IJJNWAAOSHNHOD-NRFANRHFSA-N 468.667 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3C(C)(C)C)CC2)c1 1827299458 KQAXDLLRPMQZQJ-LVXARBLLSA-N 486.660 5.553 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccc(C)cc2)CC1 1828824985 QWRBBMHWPNRQNF-IZZNHLLZSA-N 452.639 5.152 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1 1828879015 ZOPPYTKOJUENER-IYKNOGQWSA-N 460.709 5.175 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1829068772 PMBVTJYINVEGOJ-RUZDIDTESA-N 462.638 5.302 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)cc(OC)c2F)CC1 1829653996 SEBXEVUYKDILKC-JOCHJYFZSA-N 474.617 5.069 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cccc2F)CC1 1829887668 AHCZJHXZMJJZFB-QHCPKHFHSA-N 474.668 5.249 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829904062 OLTLEQQXIFQZDY-HHHXNRCGSA-N 490.644 5.695 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc(OC)c2OC)CC1 1830649646 QWQADMZQKPJGCY-NRFANRHFSA-N 474.617 5.069 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830655385 GBBQVNQGFIRZAR-AZUAARDMSA-N 475.457 5.320 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4[nH]ccc4s3)CC2)c(Cl)c1 1830721977 WRDZVFIGRBPZGY-OAQYLSRUSA-N 481.021 5.302 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060933 WSHRFMLCTZHWFY-NBGIEHNGSA-N 489.616 5.620 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(Br)cc2C)CC1 1831446587 NADSHRBEWZPTGR-INIZCTEOSA-N 489.426 5.264 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2cccc(Br)c2)CC1 1831854483 DXTNSHQWUGFHRF-RDPSFJRHSA-N 487.482 5.051 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1832027890 FYMIFDJOHSMQQQ-HHHXNRCGSA-N 487.644 5.184 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1cccs1 1832146172 IWIACJBEGZGJNB-DYESRHJHSA-N 470.038 5.310 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)cc1C#N 1832704049 FBBKRRFYZKSSLT-SANMLTNESA-N 499.611 5.639 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1)NC(=O)OC(C)(C)C 1832757118 QQZPYQZGKWTFBO-JWQCQUIFSA-N 497.680 5.088 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)CCC1 1832784194 LKCOQHZRNQMRTK-HXUWFJFHSA-N 470.038 5.482 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)cc1 1841409086 FNHURJLYTMXGOQ-UHFFFAOYSA-N 461.993 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Cl)cc(Br)c3[nH]1)C2 1844203708 FVZRYRXZECWHMX-KRWDZBQOSA-N 490.829 5.169 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1845981007 WQSPBLFJDLWFSY-ITAUSPCMSA-N 477.624 5.453 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(C(C)(C)C)cc1 10174324 JQRQHRNFTNCKLD-UHFFFAOYSA-O 453.578 6.163 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 11127334 NPIRFVOEHRECKB-UHFFFAOYSA-O 477.653 6.546 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)o2)cc1 22250613 VCAOEWGXBYGJCE-UHFFFAOYSA-N 454.983 5.726 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2cccc(O)c2)c(Cl)c1 22732714 UROCLFMOMFRPHS-UHFFFAOYSA-O 490.830 5.763 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22799945 RIAQHYSWAAQAIN-UHFFFAOYSA-O 477.959 6.393 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 23209534 NTEHYWATQVSFMN-FQEVSTJZSA-N 498.608 5.130 30 20 JKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 23352030 YTUGXAUYUBHTBX-OAHLLOKOSA-N 476.433 5.541 30 20 JKED CCCCSc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)s1 24876740 WCASCLPBMLUBCI-UHFFFAOYSA-N 487.676 5.449 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nnc1-c1ccc(OC)cc1 29833013 FELLFSOHPMOJKG-UHFFFAOYSA-N 480.615 5.573 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2ccc(C#N)cc2)cc1Cl 33713900 WTPAQBZOEIPQOK-NDENLUEZSA-N 465.987 5.959 30 20 JKED Cc1ccc(-c2nn(CN(Cc3ccc(C#N)cc3)CC(F)(F)F)c(=O)c3ccccc23)cc1 107681085 BTSICCZRFYMKKT-UHFFFAOYSA-N 462.475 5.266 30 20 JKED Cc1csc(SCc2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)n1 108471594 CICWJPNCTMCHBE-UHFFFAOYSA-N 472.595 6.364 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 109923857 PMZUVHPRFAIRST-VWLOTQADSA-N 479.502 5.047 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2ccc(OC(F)(F)F)cc2)c1 484571005 XZZHRYZINMQPBQ-UHFFFAOYSA-N 499.514 5.160 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 485280639 AYXNZWCFEFZTIJ-SNVBAGLBSA-N 482.352 5.066 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)c3ccco3)c2)cc1 486047193 UYNKMVDQQLRJJA-MHZLTWQESA-N 491.547 5.130 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 501157985 CZBFSEJIPQSVDK-QHCPKHFHSA-N 489.978 5.745 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 505867408 CATCIAQQXVSLPE-OAQYLSRUSA-N 490.585 5.098 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2nccn2C)cc1 510008944 AXIQJPALYPSTEL-UKILVPOCSA-N 485.975 5.649 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cc(Br)ccc3F)c2)c1 511540959 QPNWWWXOVMNBQG-UHFFFAOYSA-N 467.298 5.034 30 20 JKED CCCCNS(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 513953667 RMUDSOLACGWDMP-UHFFFAOYSA-N 494.592 5.010 30 20 JKED N#Cc1ccc(CSCC(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)cc1 514080033 MSZDYXIKLLXOLD-UHFFFAOYSA-N 455.627 5.371 30 20 JKED N#CCCCOc1cccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1 517459991 GLZNMRMMGNYVKO-UHFFFAOYSA-N 460.584 5.772 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc(-c2c(F)cccc2F)cs1 518873025 LIGQNURHENABSM-HNNXBMFYSA-N 485.313 5.527 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC1CCCC1 520855563 RXVCNSNMNHSHRH-QZTJIDSGSA-N 453.608 6.151 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 520888900 YFJAMKYWXHFPQZ-FQEVSTJZSA-N 494.389 5.515 30 20 JKED C=CCN(C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)[C@H](C)c1cccc(-n2cnnn2)c1 520937286 XOAVSPWCELDXIN-MRXNPFEDSA-N 479.997 5.144 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cc1 522450922 RVUBFGBZTBDXJQ-GAJHUEQPSA-N 485.540 5.205 30 20 JKED COc1cc([C@H](C)NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)ccc1OC1CCCC1 522805532 FEWGTPPHOZUYGH-FQEVSTJZSA-N 499.615 5.029 30 20 JKED C=CCN(C(=O)CSc1nnc(C)n1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 523225886 SYPXFLHCNYDQFS-UHFFFAOYSA-N 468.435 5.348 30 20 JKED N#Cc1ccc(CC(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)cc1 523682002 SUCKSPRQSCPXLJ-UHFFFAOYSA-N 451.401 5.066 30 20 JKED CC(C)c1noc(-c2ccccc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)n1 524263293 HQZNRLVMRYCTCZ-UHFFFAOYSA-N 462.560 5.128 30 20 JKED C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CSc1nc2c(cc1C#N)CCCC2 598952888 XKIGQARBSWKUEC-IBGZPJMESA-N 484.625 5.396 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2)c1 603742688 BRFKWGZXBJNYNL-UHFFFAOYSA-N 471.391 5.239 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cncn3-c3ccc(F)cc3)s2)c(C(F)(F)F)c1 603758552 NRWKFDJYVISZGL-UHFFFAOYSA-N 471.439 5.201 30 20 JKED CC(C)c1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cnn1-c1ccccn1 603758619 VTZLALBVAQXHPY-UHFFFAOYSA-N 496.518 5.581 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 603983544 FVEPWSOVDIEWMK-UHFFFAOYSA-N 462.449 5.031 30 20 JKED N#Cc1c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)sc2c1CCCCCC2 603996730 UQJDZRDBRQWHNF-GOSISDBHSA-N 473.545 5.123 30 20 JKED COCCn1c(S[C@@H](C#N)Cc2ccccc2)nc2scc(-c3ccccc3Cl)c2c1=O 604071626 OTIVJYARJFYJPA-QGZVFWFLSA-N 482.030 5.652 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)c1 604288816 UWWAJVPVVPWEFJ-IYBDPMFKSA-N 484.400 5.405 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2Cl)c1 609063304 XVKRNROCJLLGDJ-UHFFFAOYSA-N 496.876 6.247 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078675 HECHYBQGKNFAID-UHFFFAOYSA-N 467.529 5.149 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 609079756 KBQPZAQSRRZZSV-UHFFFAOYSA-N 460.553 5.181 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 609080735 NAAQUHTXVIUSPH-HXUWFJFHSA-N 458.537 5.500 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)cc2Cl)c1 609080819 VHQIJLZEYCWRMR-UHFFFAOYSA-N 483.959 5.988 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H](C)c1ccc(F)cc1 609088152 TUMZBKXBPDZSJR-LJQANCHMSA-N 459.521 5.133 30 20 JKED CC(C)NC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613344777 QGLNUTUIJOEMFN-QGZVFWFLSA-N 473.385 6.137 30 20 JKED O=C(Cc1ccc(F)c(Br)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 614452424 DFTZPFBJPAFGNK-NXEZZACHSA-N 450.192 5.156 30 20 JKED O=C(Nc1ccccc1Oc1cccc(F)c1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 616522198 JPGAOWMYPXKXNO-STQMWFEESA-N 492.391 5.582 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)nnc1-c1ccc(Cl)cc1 617896746 ZXOJMXCLTJYDTQ-MRXNPFEDSA-N 482.009 5.031 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618554998 BVIAORLPDKDTOH-QGKZMRNZSA-N 482.309 5.668 30 20 JKED N#C[C@@H](C(=O)c1cccc(N2CCCS2(=O)=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281890 XTDFUFMJUNAING-KRWDZBQOSA-N 492.409 5.147 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 677814905 PUKWQMPFEZCYFD-IRXDYDNUSA-N 498.722 5.181 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(C)nc3ccc(Br)cc23)cc1 725975892 UOQDUWWRUQTOJQ-QGZVFWFLSA-N 480.362 5.106 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 726393913 RUSBHLZMZLUXBK-BFUOFWGJSA-N 498.407 5.518 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC=C)c1 726413386 SVRABIMPMHNIHY-GOSISDBHSA-N 458.370 5.121 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)cc1 726415317 JTEIASGTJRVPRF-NRFANRHFSA-N 498.605 5.230 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S/C1=N/[C@H](C)c1cccs1 726422242 UTKHOFGXYMTEQE-JYPVNDKESA-N 480.999 5.110 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 726940166 LTZNVUKRJJJGGY-UHFFFAOYSA-N 462.347 5.570 30 20 JKED COc1cc(C=NNc2cnc3ccccc3n2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 727258913 WNFGTGRFVFHXTJ-UHFFFAOYSA-N 495.461 5.121 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(/c3nc4ccccc4[nH]3)S(=O)(=O)c3ccccc3)c2)c1 728157243 MVUBYAMPCXDCPP-VEILYXNESA-N 491.572 5.986 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 728184932 AYMFOAQLCSDGJX-QGZVFWFLSA-N 477.611 5.443 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCCCC#N 728780716 XOOZIBIRZKOWAH-QFIPXVFZSA-N 483.037 5.865 30 20 JKED CC(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)NC(=O)OC(C)(C)C)cc1 729058745 MSUIXJHTBKJJSX-HSZRJFAPSA-N 450.583 5.089 30 20 JKED Cc1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c(C)n1-c1ccc(C#N)cc1 729321592 HFMGHFNPHWDMCK-SFHVURJKSA-N 487.579 5.170 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ncccc1C 729634744 SCICOEDTQAAODC-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(C(C)(C)C)cc1 729668763 PDYHJUPISZIDNX-UHFFFAOYSA-O 465.595 5.265 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O 730459080 GFYBICUNEDRXCO-LJQANCHMSA-N 477.508 5.227 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 730488602 CUVSROIRRHEYBC-UHFFFAOYSA-N 454.477 5.383 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)c1 730527920 JVVNBOXIGRMJSP-QHCPKHFHSA-N 475.570 5.205 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)c1 730718007 DUNVHXOEVNKVGF-QFIPXVFZSA-N 462.575 5.014 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c3c2CCC3)cc1 730920334 KISUDPFADUGRKF-XMMPIXPASA-N 490.563 5.677 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730942239 JXXVYMPEVVUGPZ-FDDCHVKYSA-N 474.586 5.120 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2s1 744936212 OWALLWLVFGPJJZ-NSHDSACASA-N 467.403 5.472 30 20 JKED Cc1ccc(-c2ncc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)s2)c(C)c1 747260602 JKZVIFSSXDBJEA-CQSZACIVSA-N 451.573 5.033 30 20 JKED CCc1nc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1c(Cl)cccc1Cl 749048771 OTDYOOCZZFSNSL-ZDUSSCGKSA-N 497.169 5.404 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 753945031 BKQDPNJDPLQIFD-UHFFFAOYSA-N 476.341 5.005 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(CC(F)(F)F)C2=O)c1 799216114 TUFKNQYEMSSLMN-LJQANCHMSA-N 479.524 5.341 30 20 JKED C[C@@H](OC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 829525114 YUDVMOQEPSMIPW-OAHLLOKOSA-N 498.004 5.700 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@H](C)c3ccccn3)C2=O)c1 837286476 WCOADMZNQJXXPE-XXBNENTESA-N 488.613 5.429 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cccs3)C2=O)c1 837387047 WWYSRSGWTYUTMC-OAQYLSRUSA-N 465.600 5.226 30 20 JKED O=C(COC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1OC(F)F 843414941 HDVKMZDMAOIDEP-AATRIKPKSA-N 483.311 5.521 30 20 JKED C[C@@H](OC(=O)c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1C#N 849205866 VVPNTLYEKWZLPU-MRXNPFEDSA-N 479.330 5.084 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccncc2)ccc1Cl 875761926 RWXZZQNIQJCSQV-HSZRJFAPSA-N 482.005 5.094 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)NCc2cccs2)c1 912837654 ABPODUQBDFBAIS-UHFFFAOYSA-O 466.652 5.142 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(NC(C)=O)c1 913120932 RVIWYNZNPRPOBN-NRFANRHFSA-N 488.560 5.074 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1sc2cccc(Cl)c2c1Cl 913327962 MYKMOIJMWCNUIO-UHFFFAOYSA-N 494.400 5.330 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O)NCc1ccccc1 914539943 LYKCTJGTKYJHIE-NRFANRHFSA-N 499.423 5.227 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@@H](C)Cc2ccco2)C1=O 914691719 RADRKIBSFHUMFJ-AOMKIAJQSA-N 481.549 5.019 30 20 JKED COc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 915104127 LTEKILKVASWVMU-AWEZNQCLSA-N 462.449 5.172 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1 915181342 YZVKTDPFYVBQGP-SANMLTNESA-N 495.579 6.464 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccccn3)C2=O)cc1 916207791 LLEBWYPMTLEVJT-QHCPKHFHSA-N 458.587 5.167 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916209981 XGEDIBWCKMTSOQ-QGZVFWFLSA-N 479.345 5.024 30 20 JKED N#C[C@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ccccc1Oc1ccccc1 916906043 AZITVICYXFPBKG-HSZRJFAPSA-N 460.489 6.268 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)O[C@H](C)C2 916911278 WXBZXDGGITURNF-FSOWZUDISA-N 482.536 5.562 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 916911835 CVQVLJDUEBCBFF-SFHVURJKSA-N 465.962 5.486 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1 916952373 JXANHWBJHVBHGA-QHCPKHFHSA-N 473.479 5.402 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 917047208 UATFCSSARPCWQB-GOSISDBHSA-N 451.935 5.553 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C 917505356 MVSAEDNKAIJCGS-OTDUKCBNSA-N 463.578 5.337 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 917505903 RPOQRXFSXXXGSO-FGTMMUONSA-N 475.570 5.060 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(Cl)cc1 917678870 QQNJYUBIJVSNHD-GOSISDBHSA-N 499.942 5.356 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)c1 917712073 CPPSTWPQMVAURY-QHCPKHFHSA-N 458.587 5.366 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1 917797642 GRYTYXUWFQVFMO-UHFFFAOYSA-N 479.646 5.176 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2cc(Br)cs2)n1 919631138 KIOWVSRRWZTHBE-UHFFFAOYSA-N 495.445 5.708 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805572 DLKAPJWRRGLHDW-CMPLNLGQSA-N 481.293 5.634 30 20 JKED N#C[C@H](C(=O)C1=Cc2cc(Br)ccc2OC1)c1nc(-c2c(F)cccc2F)cs1 920806907 SGTQZYWRRJNZDQ-CQSZACIVSA-N 473.298 5.503 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc2ccccc2c1 920869823 DTBZMZXOKJTISS-UUOWRZLLSA-N 491.613 5.091 30 20 JKED COc1cccc(C=Nc2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)c1O 920943353 WPRUYZOCOBFUIO-UHFFFAOYSA-N 475.364 5.023 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)C1 1781457612 DOEXBVWUDZYTDG-ABYGYWHVSA-N 496.598 5.321 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CCC2)cc1 1785935078 LKWUMDHIZJCRDS-UHFFFAOYSA-N 495.505 5.189 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc2)CCC1 1786242619 MATLDOSHGRWPRY-QHCPKHFHSA-N 483.653 5.254 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)cc1 1786333400 RUDADEIXYLPAEU-ZEQRLZLVSA-N 483.543 5.257 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncc(C(F)(F)F)cc3Cl)CCC2)cc1 1786371923 QQNKVXXBCPFAGC-AWEZNQCLSA-N 481.902 5.093 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ncc(Cl)cc3Cl)CCC2)cc1 1786389351 DXHPFTFQRANAFY-GOSISDBHSA-N 452.407 5.091 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4Cc5ccccc5CN4C)cc3)CCC2)c1 1786682512 JUOVJANDPSDGLZ-LYZGTLIUSA-N 492.623 5.118 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4cccc(Br)c4n3)CCC2)cc1 1787888794 ACTVEZCVBFRNAT-UHFFFAOYSA-N 477.362 5.049 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncncc5c4)cc3)CCC2)c1Cl 1789324828 DCTLTEWKAWFPLJ-UHFFFAOYSA-N 481.943 5.216 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393540 QXYHWSXRVSENRV-CCVNUDIWSA-N 474.948 5.281 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccn(C(F)F)c3=O)CCC2)cc1 1789508193 VUKLPRBXIZRXMX-UHFFFAOYSA-N 499.634 5.042 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1789576237 FMPLGRDVJRAUFQ-RDRPBHBLSA-N 493.991 5.345 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cc4c[nH]c5nccc-5c4n3C)cc2)CCC1 1790020964 OFHBZXHNVGCOFD-UHFFFAOYSA-N 481.600 5.522 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)CCCCn4cccc4)CCC3)cc2)ccc1F 1790520502 YGAMUNOBLXCTKE-UHFFFAOYSA-N 472.564 5.046 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)(C)C)oc3C)CCC2)cc1 1790564709 ACXXMWMZWFMVJP-SFHVURJKSA-N 453.583 5.434 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790838281 DJZSBKQSTREENQ-HSZRJFAPSA-N 477.992 5.209 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1)c1ccc(O)cc1 1791646564 YWCAYWDAQGLLSV-OAQYLSRUSA-N 492.579 5.213 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c(C)n1 1792126805 MGHOEIVZUVUCEA-FQEVSTJZSA-N 480.612 5.706 30 20 JKED CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)cc1 1792200709 OVCIXCFTCUVXOJ-UHFFFAOYSA-N 472.589 5.113 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)n4ccccc34)CCC2)cc1 1792265282 JSRNKHNFWBPIFC-UHFFFAOYSA-N 461.565 5.767 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)C3)c1 1792941133 KMWNMCGLSXCTLA-ACDBMABISA-N 489.925 5.115 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 1793476510 RUDNRWKIKUDXIE-UEQSERJNSA-N 497.680 5.191 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)cc1 1796469553 CWDKOWACWJDCAQ-YEHREXKJSA-N 478.596 5.250 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2F)C3)c1 1803682487 DHHSCKYUEJRUAR-PPRPKMEESA-N 473.470 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)C1 1805450174 BVOKYKDMQIXNKF-UHFFFAOYSA-N 459.634 5.603 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 1806028552 AWSOWNAODVRHSN-OAHLLOKOSA-N 473.828 5.083 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1810172007 MKIFZYBNKGUMGF-MIHVYDCKSA-N 494.639 5.540 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810172476 BOUZODXEYHBVSY-FCEKVYKBSA-N 480.612 5.232 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2cccs2)[C@@H]1c1cccnc1)c1ccccc1 1810447686 NMSDRRFCZVMLND-MLQASWRXSA-N 485.653 5.150 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1810772216 WKPXBQVOWFCZPP-BGWNEDDSSA-N 496.449 5.241 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c1Cl 1811111738 CIXWKKFIZFBTEX-GAJHUEQPSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)[C@H]1c1cccnc1 1812591628 KXAZVYTWPGCNNS-GCOVDLRRSA-N 484.625 5.376 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1812674841 DISRQBGXWARULD-LIRRHRJNSA-N 486.321 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813964168 JMRYDEQOVMLCJT-XQFWAAQXSA-N 489.513 5.328 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1813964563 ZKFLVIIGFJDUHA-GCJKJVERSA-N 491.529 5.552 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1814570368 XCSPDKAOZMFSSA-HXUWFJFHSA-N 470.533 5.007 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)sc2c1 1814737006 SPAMOUIEAAKVIZ-QFIPXVFZSA-N 498.612 5.138 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)[nH]n1 1814829640 VTCPZTWVUMFAQX-NRFANRHFSA-N 462.550 5.239 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)[nH]n1 1815242943 JOERBRCLNMVIGR-NFBKMPQASA-N 499.587 5.010 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5ccoc5s4)sc3C2)c(Cl)c1 1816692381 ZTLXFPRNNMENBD-CYBMUJFWSA-N 482.974 5.015 30 20 JKED CC1(C)CCc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)[nH]n3)c2O1 1817941160 MHPQYTPDOSYMCC-QHCPKHFHSA-N 483.572 5.005 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)nc2ccccc12 1818115431 BRKCGMXYTFQGSC-VDZCTEQFSA-N 499.596 5.073 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cc[nH]c34)n[nH]2)c1Cl 1818771631 XIZDUEGCVIBGOK-HXUWFJFHSA-N 472.936 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1819309675 FTUCPZDELYWCMG-BKULYWANSA-N 484.044 5.127 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)CC1 1819385361 SSIQMTQYQCQFJO-IFMALSPDSA-N 454.691 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(C)noc1-c1ccccc1)CC2 1820098304 SDNDEPZSHOPGHK-GOSISDBHSA-N 478.618 5.325 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cccnc4s3)[nH]n2)c1Cl 1820219379 QNSUNTNVSUTRND-GOSISDBHSA-N 490.976 5.164 30 20 JKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)[nH]n2)cc1 1821225848 PDUFBFGMNGZNAH-VWLOTQADSA-N 478.556 5.205 30 20 JKED Cc1ccc(C)c(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1822051183 PHPJPURZQHTORG-NLFFAJNJSA-N 469.589 5.202 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(Br)cc2)n[nH]1 1822217508 CPRKXFJTDDLUBS-VEGGFIAOSA-N 493.352 5.089 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c1 1823211229 UVODOFBEMYRGTL-NRFANRHFSA-N 465.916 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)[nH]n2)c1 1823212922 ZLNFETLGQVIBLX-QMHKHESXSA-N 493.970 5.378 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)cc1C#N 1823292636 RHXGQECOXNSWRY-RUZDIDTESA-N 497.599 5.566 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823307515 UJCPXZOFPHCNPQ-WMZOPIPTSA-N 488.963 5.342 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823309052 IYKYSEJGMUJBLB-PXAZEXFGSA-N 485.799 5.267 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)[nH]n2)CCC1 1823382028 UBDXHNKCFUDBSM-HSZRJFAPSA-N 453.546 5.076 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823684392 YCFOLTGMLAHTCZ-AREMUKBSSA-N 486.660 5.117 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(OC(F)(F)F)cc3)CC2)C1 1823702999 JHXPPHJNPDIORN-HSZRJFAPSA-N 478.555 5.104 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn3c(Cl)cccc3n2)CC1 1823752749 YHTSNRFTOAAWNR-NRFANRHFSA-N 471.045 5.213 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c1 1823935518 JHAOWZJQLCKGRP-VWLOTQADSA-N 481.999 5.217 30 20 JKED Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824051199 GEQYKJVKACTKFO-NDEPHWFRSA-N 471.645 5.052 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(SC)cc2)CC1 1824144729 DFMCKHSXJUAQPJ-RUZDIDTESA-N 454.680 5.339 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824207952 FLUWGBDSKILNEY-QFIPXVFZSA-N 491.717 5.292 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1824510163 LBYPYIWXXNYFRU-VGSWGCGISA-N 467.437 5.126 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825961493 VOKPJDJFEOBFNW-FQEVSTJZSA-N 468.560 5.833 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccncc3-c3cccc(C)c3)CC2)C1 1827328731 NEEVEDDPCASIAR-MHZLTWQESA-N 457.618 5.257 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1827332658 CKSSAXYHMJKMDF-NDEPHWFRSA-N 492.623 5.476 30 20 JKED C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1827684763 RQLLYHFCIAAECN-QZTYOQMJSA-N 478.658 5.301 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732349 OPIKTICSYFKWIW-OAQYLSRUSA-N 467.997 5.383 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)CC2)C1 1828162451 KSGQEYPDBSAWEC-QHCPKHFHSA-N 451.998 5.088 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)Sc3cccs3)CC2)c1 1828778029 MLESYSBOVKJTNL-CVDCTZTESA-N 481.687 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(Cl)n2)CC1 1828826857 NTFZOWVPLVRLQJ-TZIWHRDSSA-N 464.437 5.390 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCCC)cc2)CC1 1828827241 KOHFSHSCELFEOL-UIOOFZCWSA-N 452.639 5.477 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1828830101 KYRPYGJVXFVKNF-HYBUGGRVSA-N 468.041 5.823 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(F)c2)CC1 1828903853 HZSZPZZIEBFRSK-VWLOTQADSA-N 470.705 5.039 30 20 JKED O=C(c1ccccc1Oc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828997779 RBZXGHARVWMKSQ-UGFFDMHVSA-N 499.611 5.424 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1829035310 PCOYBAHKIMNVTO-URLMMPGGSA-N 481.640 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)CC1 1829418048 WLPSGKMUDHZQPJ-NRFANRHFSA-N 465.560 5.326 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1Cl 1829689482 GRGSFIFFKXUBKS-OAQYLSRUSA-N 488.390 5.551 30 20 JKED Cc1cc(C)cc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c1 1830633012 ATKQIQXWBHLJMC-MUUNZHRXSA-N 471.645 5.236 30 20 JKED C[C@@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CC=CCC1 1830687256 SAAGZFHHTFHKPV-JYFHCDHNSA-N 498.465 5.300 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)c1 1830717382 VFXPSTPBUCWQOI-VWLOTQADSA-N 494.010 5.316 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)CC1 1830753909 GULYIJUNYCDYQP-WIOPSUGQSA-N 451.655 5.122 30 20 JKED CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830756327 VGTHMNOXIMQWFW-OAQYLSRUSA-N 463.544 5.247 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3F)CC2)cc(C(F)(F)F)c1 1830756774 VXQQBFGJBMFZKN-HSZRJFAPSA-N 487.497 5.263 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1830826835 BHEBBQUUXJNXOL-RUZDIDTESA-N 489.664 5.274 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(C)snc3s2)CC1 1831445014 VMQOHZJGUQISBC-KRWDZBQOSA-N 467.607 5.111 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2c1 1832629139 JZTUBVAMHKTYBL-ZTOMLWHTSA-N 496.655 5.579 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1832634119 HXIHDWLZBWPRGU-CJFMBICVSA-N 474.649 5.486 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707262 PHPNREZVRKBQRO-UXHICEINSA-N 474.564 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(CCCCC)s3)CC2)CC1 1838424467 IZIQBUDPVRZBIF-UHFFFAOYSA-N 489.726 5.480 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)CC1 1838571700 MSIMNPIBGVQJCT-UHFFFAOYSA-N 498.570 5.303 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC12CN(C(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1843534582 KDQVMKUEARRDSV-UHFFFAOYSA-N 492.497 5.137 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 1847268125 ZQURSXDTRXSHHE-VXKWHMMOSA-N 489.641 5.211 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1ccccc1C#N 8988838 YKSUFUGCNNDWHV-OAHLLOKOSA-N 451.983 5.705 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccc(Oc3ccccc3)cc2)c1 10172449 FLRFLAVDRYDHFQ-UHFFFAOYSA-O 473.643 6.804 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c1 10174536 LBVWWYMAZBPQFU-UHFFFAOYSA-O 453.578 6.163 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10755926 ZMDSHZFJUPOFSC-UHFFFAOYSA-O 476.424 6.768 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 16773841 KSBWRMDKGSVRDN-CQSZACIVSA-N 452.967 5.156 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC2CC2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 22560467 DHLYHUBKSDEFOS-GOSISDBHSA-N 469.614 5.414 30 20 JKED Cc1ccccc1OCc1nnc(SCC(=O)N(CCC#N)c2ccccc2)n1-c1ccccc1 22619876 SJTCOXAUVRQCCR-UHFFFAOYSA-N 483.597 5.194 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)cc1 22731737 MMWDTECRDJUQID-UHFFFAOYSA-O 461.485 5.322 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccoc1C 23519640 OEEBURILMCCFHT-KRWDZBQOSA-N 480.590 5.583 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nnc1-c1cccc(C)c1 24669931 YCYIESFDMYQLNQ-UHFFFAOYSA-N 489.670 6.490 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SC[C@@H](O)Cn1c2ccccc2c2ccccc21 25767147 DMTFNZYWLGROPT-IBGZPJMESA-N 488.588 5.443 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 31626473 OZFBKPUAXMDSCB-UHFFFAOYSA-N 492.988 5.124 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 32789386 HPBOINVJPNJXJB-SANMLTNESA-N 468.626 6.144 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccoc1C 36802899 WQLGCNCQACVDLU-HNNXBMFYSA-N 451.577 5.275 30 20 JKED CSCc1nc2ccccc2n1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 108377236 RTOSPXBMZVSTPH-UHFFFAOYSA-N 456.571 5.183 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)nnc1-c1ccccc1F 195569177 JDWLZBCQUBSVQB-UHFFFAOYSA-N 452.555 5.230 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 195744553 PGSKMQVVKPYWBW-NRFANRHFSA-N 471.413 5.068 30 20 JKED Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487318777 HWVWWIIVFYFRRY-UHFFFAOYSA-N 482.487 5.769 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 490082894 CQRDWPHAHHZBRF-XMMPIXPASA-N 473.539 5.103 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)s2)cc1 491480913 RWOYGQJRMLBWMJ-OAQYLSRUSA-N 458.568 5.461 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc1 498627965 UCVJGMZJJLATIZ-UHFFFAOYSA-N 467.978 5.282 30 20 JKED N#CCc1ccc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 500381994 SQLXRJZPMFEAQL-XDJHFCHBSA-N 454.511 5.840 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(OCc3ccccc3)cc1)O[C@H](C)C2 500656046 SZZIBBUDZWXRMN-FEDNAFIGSA-N 482.580 5.472 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 501417328 ATFJTZQFGYQTQS-UHFFFAOYSA-N 467.594 6.253 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)c2)cc1 501475565 JTBYBGQHAXZYDV-UHFFFAOYSA-N 467.550 5.898 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)o1 501887337 IBMDKEHXKFMVAN-UHFFFAOYSA-N 484.474 5.227 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1F 502649162 RLJKJEKVHUJBBL-UHFFFAOYSA-N 488.519 5.381 30 20 JKED COc1cccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 503718159 QHMTUSYIBBNDQQ-HOYKHHGWSA-N 468.557 5.249 30 20 JKED CC[C@H](C)n1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1ccccc1 504323010 YWEKNQXDGNQZBU-SFHVURJKSA-N 468.026 5.917 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 508252035 MUGOGXBRHVAIKS-UHFFFAOYSA-N 471.561 5.456 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1 508455265 YLZMLUWAUQYNPC-UHFFFAOYSA-N 473.579 6.360 30 20 JKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CCC2 509230090 NTJFPPICFPFXEA-XDJHFCHBSA-N 471.557 5.123 30 20 JKED CCN(C(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)[C@@H](C)c1ccc(C#N)cc1 509619786 RXQRJMPJBVLBJE-FQEVSTJZSA-N 469.585 5.182 30 20 JKED CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509857198 XVKNTYSRHAKPPT-DEOSSOPVSA-N 457.530 5.025 30 20 JKED CC(C)n1c(SCC(=O)NCc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 509982038 LMCMAFVNEXVQKY-UHFFFAOYSA-N 460.390 5.113 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)cc1Cl 510046798 YHIAGORELGGRRI-QHCPKHFHSA-N 464.997 5.252 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 510227986 KOURHVAJTUSIFZ-UHFFFAOYSA-N 475.570 5.086 30 20 JKED Cc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)N2CCOCC2)cc1 510652767 YFFPJQIWSGRVPW-HHHXNRCGSA-N 470.573 5.162 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)CC2)c1 512521531 GNHDSVFBEAYMAC-HSZRJFAPSA-N 450.970 5.113 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccc(C(F)(F)F)cn1 513158539 BWFVYASDTZJPFL-KRWDZBQOSA-N 488.263 5.605 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CCCC3 514955592 UMYLXLHYHWPBGE-OAHLLOKOSA-N 452.605 5.006 30 20 JKED N#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)c1 515147172 ZCLVQHFDKLLHKN-FQEVSTJZSA-N 477.351 5.233 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 515576710 XNDAPKFZXQURMN-UHFFFAOYSA-N 483.593 6.481 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc12 517081483 SUYBDJLVEYDLNL-UHFFFAOYSA-N 476.989 5.604 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)cc1 517492059 KFCFAQZGJFBAFS-NRFANRHFSA-N 473.381 5.270 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 517532870 PXIGHYSWWKAHAE-UUOWRZLLSA-N 455.587 5.879 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n2)cc1 517796185 FPGTZJWWICRZKX-HSZRJFAPSA-N 487.606 5.434 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 518240370 XEWYTHRYRLAFFB-OAHLLOKOSA-N 484.408 6.892 30 20 JKED CCCN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 518258952 DCLGCDSBYQHHCW-MRXNPFEDSA-N 474.424 5.221 30 20 JKED Cc1nc(O)cc(-c2ccc(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)n1 518908398 QVLCYFFPVSDPIH-UHFFFAOYSA-N 451.486 5.774 30 20 JKED N#C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1cccc(Cl)c1Cl 519485078 CPZQEMBNRBHJFP-NHCUHLMSSA-N 486.786 5.889 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1C 519947273 JSTUXBFJFXRZRW-UHFFFAOYSA-N 499.596 5.134 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(F)cc1Br 520833612 GQKRLTGXESRTNR-CYBMUJFWSA-N 453.402 5.854 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 520924458 XGKGAOKZHFYNHO-IBGZPJMESA-N 491.638 5.475 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 521260157 XRRDXEAGZMVNJV-JXFKEZNVSA-N 490.551 5.442 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2 521449887 SBSGNSBVGOJOKW-UHFFFAOYSA-N 485.371 5.057 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCc1nnc(-c2ccccc2)o1 524119916 QMDAVQHFFOPATP-UHFFFAOYSA-N 452.514 5.457 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)o2)cc1 524418013 AQZURWFUVSNOII-JOCHJYFZSA-N 457.313 5.251 30 20 JKED Cc1nc2ccccc2cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 549745383 AVVJBFUULCCTOB-UHFFFAOYSA-N 452.461 5.733 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 557448553 KSKNBQKDZZCZCH-QFIPXVFZSA-N 489.522 5.245 30 20 JKED C=CCN(C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 596254475 GAYFMHLYUDXXJO-HNNXBMFYSA-N 499.522 5.586 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC(F)F 603689399 KLRXJNZSWDJQSI-UHFFFAOYSA-N 454.433 5.019 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3csc(NC(=O)c4ccccc4F)n3)c2C#N)C1 603730807 QQIMTPMLBOWPSP-CQSZACIVSA-N 496.633 5.800 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSCc1coc(-c2ccccc2)n1 603756055 GYGQGJHHJMKDHH-UHFFFAOYSA-N 456.527 5.581 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)o1 603880848 IZSHSYGLGCPUBN-NRFANRHFSA-N 467.928 5.090 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)sc2c1CCCCCC2 603996305 ITEJKINKACANCT-UHFFFAOYSA-N 489.563 5.788 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 604459913 AWAHRKBVTSWKLK-UHFFFAOYSA-N 486.959 6.865 30 20 JKED Cc1occc1C(=O)Nc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1F 608805206 OIGIWRXHVISEAF-UHFFFAOYSA-N 459.433 5.275 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 608866581 ZSLNCDKBJNUFSQ-IBGZPJMESA-N 488.588 5.522 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3cccc(Oc4cccc(C(F)(F)F)c4)c3)CC2)nc1 608951158 UYWQCYWYMIVTSR-UHFFFAOYSA-N 466.463 5.163 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(I)c3)n2)cc1 609089901 MNFOTGGYEKWKCG-INIZCTEOSA-N 458.324 5.522 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)O[C@H](C)C2 609355451 BSQNCNFWLFBZQS-LAMXGVLKSA-N 496.567 5.210 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 609399682 JAPSNJWGNLLIPW-OAQYLSRUSA-N 468.582 5.060 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC=C(c2cccc3ccccc23)CC1 609403927 LMWJLENCIMPJJU-IBGZPJMESA-N 455.583 5.346 30 20 JKED O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cnn(-c2ncccc2Cl)c1C(F)F 622571652 BWZXSAALZVDPPY-UHFFFAOYSA-N 482.743 5.731 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 726393155 MVXWTXCZOIMTNF-GCJKJVERSA-N 471.598 5.136 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2ccccc2F)C1=O 726420516 IMSLTGBIWUQTRK-IMPGVWCTSA-N 497.617 5.486 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)S/C1=N\[C@H](C)c1cccs1 726421098 KMWYOPNQTYKIIO-SQUMYPLMSA-N 478.437 5.086 30 20 JKED Cn1cc(CCCN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc3ccccc23)cn1 726735662 NIDHSAQBALULCE-VWLOTQADSA-N 497.624 5.166 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)c1ccccc1 727264906 ZQAAZFCLYLRZHB-NCELDCMTSA-N 486.587 5.692 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C/c2ccc(Br)cc2)cc1 727354252 FJZVGGZMRCRSJE-JXVRESAISA-N 453.361 5.517 30 20 JKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc2cc(Cl)ccc2s1 727629110 RIZWIBVHRFLPKQ-OAHLLOKOSA-N 452.992 5.652 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/Cc3c(F)cc(Br)cc3C2=O)cs1 727779903 BEIMGMTXTDLFEG-AUWJEWJLSA-N 471.351 5.860 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCc1ccc(OCC#N)cc1 727845631 TZZHWQBOJIFSPY-UHFFFAOYSA-N 485.975 5.437 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2Oc2cccnc2)n(-c2ccc(F)cc2)c1C 728099225 KFONIJNANDMRFN-UHFFFAOYSA-N 484.487 5.088 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)O[C@@H](C(=O)Nc3ccccc3)c3ccccc3)o2)cc1 728110823 VHLXYUDWVPOEPU-RUZDIDTESA-N 452.466 5.267 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 728422694 KXBBGTHMTTZNCR-DEOSSOPVSA-N 497.555 5.339 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCC2)cc1Cl 730463072 RQWAYSSENWFADV-HXUWFJFHSA-N 457.983 5.170 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944274 VGUNGCQSAJQNSM-YADARESESA-N 487.629 5.178 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 731029913 JUELSRNRMWHVHX-IBGZPJMESA-N 480.634 5.134 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2)c1 731304933 CFUBPUFQBJYBDR-DEOSSOPVSA-N 489.597 5.008 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 743294475 KMZIGJNMXDFBNZ-IZZNHLLZSA-N 488.632 5.985 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744936495 QPIZLRNRLZZWDI-CYBMUJFWSA-N 498.363 6.393 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O 745155568 WKEZZHBNWYVWPT-UHFFFAOYSA-N 454.530 5.234 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(F)c1 746697829 MVAMLQDSKFRFFW-OAQYLSRUSA-N 475.561 5.050 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3cscn3)C2=O)c1 747603801 VCAPIXKLCYULRB-HSZRJFAPSA-N 490.654 5.409 30 20 JKED O=C(/C=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 748584782 VPUMNNYDIMNDRL-JYOAFUTRSA-N 464.861 5.893 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc(OC)c1OC 750574750 HPUVUGVTIQXRQU-HSZRJFAPSA-N 461.562 5.238 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 750706728 WMJARYLKCRNERB-UHFFFAOYSA-N 474.586 5.234 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)ccc1OCC(F)(F)F 750921434 IQUJRJMEXSPIKZ-UHFFFAOYSA-N 456.877 5.109 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CC(F)(F)F)C1=O 799215539 MQKUUMSLVZKPHD-IBGZPJMESA-N 479.524 5.306 30 20 JKED CC(=NOCc1nc(-c2cccc(Br)c2)no1)c1nc2ccccc2n1C(F)F 836976142 AFCBQBPDVVVHFK-UHFFFAOYSA-N 462.254 5.185 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1ccccn1 837283672 GRZGZQJFKBTSLC-HTAPYJJXSA-N 494.567 5.698 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 837284933 HGQXXFYVKZFKPD-BVZFJXPGSA-N 498.583 6.095 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCc2cccc(F)c2)C1=O 837300721 CCHJVVYNBDMQON-QHCPKHFHSA-N 495.551 5.176 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837838322 VEPRTANUXMTWAR-VGOFRKELSA-N 462.550 5.251 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)c3cccnc3)C2=O)c1 838557211 JUQJBDRPPIAWJN-IVZQSRNASA-N 496.539 5.090 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc(C)c2)C1=O 912771796 NENYZFFIRWDAOU-QHCPKHFHSA-N 477.561 5.303 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 914689905 CUUDOXBPBOQLOT-SZNDQCEHSA-N 487.503 5.288 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915105117 YSXPITMYHSFUOT-SFHVURJKSA-N 485.487 5.918 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 915351438 BWVXXSQJWFSUAN-RUZDIDTESA-N 478.518 5.711 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1 915787912 NDGXNQFVGMVTBO-ILBGXUMGSA-N 485.996 5.901 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(Cl)s2)ccc1OCCn1c([N+](=O)[O-])cnc1C 916135771 RQXLPUHFQZVRPZ-GQCTYLIASA-N 461.927 5.188 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3COc3ccc(Cl)cc3)s2)cc1 916692123 ZUYUXARZJHJQNQ-GOSISDBHSA-N 486.022 5.431 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c1 916898218 YKQZZHUWVRFVSF-FQEVSTJZSA-N 462.962 5.378 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C 916901405 HJHZZIKTMOOWIX-HNNXBMFYSA-N 474.369 5.704 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 916902928 LXHTWJOSZOJKEZ-LJQANCHMSA-N 452.869 5.550 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916903298 MKRPQJUADSNYCB-IBGZPJMESA-N 460.555 5.272 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 916925579 MLNFURVAKVXLMD-NRFANRHFSA-N 481.556 5.348 30 20 JKED COc1ccc2c(c1)C[C@H](C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)CO2 916997300 VETFBPDMKUERLB-SUMWQHHRSA-N 459.354 5.553 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044282 SFWUHOFLLZMBNK-IAGOWNOFSA-N 491.560 5.352 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2)n1 917673411 DASMIXZOSXFQOS-JOCHJYFZSA-N 479.005 5.512 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)cc1 917684840 NVPBNBJEMMGVOL-DEOSSOPVSA-N 488.613 5.176 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 919825732 TWRVFDJZCSSREX-UHFFFAOYSA-N 483.977 5.285 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c(-c4ccc(F)cc4)c(C)sc3=O)n2)cc1 920138776 JEOFSRURVYGTSK-LJQANCHMSA-N 479.558 5.033 30 20 JKED N#C[C@H](C(=O)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1 920323726 FYSGIBRVURIVSB-BIIRRRGNSA-N 477.608 5.355 30 20 JKED C#CCN1C(=O)c2ccccc2N[C@H]1c1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 920406488 QBMCJUZRTIHEMT-HXUWFJFHSA-N 470.476 5.046 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccc3[nH]c(C)c(C)c3c2)C1=O 920824727 BFPFNGOASCHFTL-HXUWFJFHSA-N 488.535 5.071 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 920868191 JHKFNUKGMFFPOO-KDOFPFPSSA-N 480.417 5.236 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@H]2C1 1784172655 XRWCAWBASCMKNI-VYXFNHLNSA-N 499.095 5.362 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785804587 NSBUWSXLTKLGGX-UILWBTOOSA-N 481.637 5.170 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnc5cc(C(F)(F)F)ccn45)CCC3)cc2)C1 1785810158 BSQWGAHVZGCIIX-UHFFFAOYSA-N 468.479 5.067 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccn4c(C)cc(C)nc34)CCC2)cc1 1785843148 UICJCMOVHPSPFB-UHFFFAOYSA-N 458.606 5.691 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ncc(Br)cc34)cc2)CCC1 1785863188 LEYNMADXUDNWPL-MRXNPFEDSA-N 495.421 5.214 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccc(F)cc34)CCC2)cc1 1786369947 GDJCTFKMTGIDFC-UHFFFAOYSA-N 477.580 5.357 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1786373933 SOYKREKQRVYZCH-MRXNPFEDSA-N 451.954 5.160 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3F)CCC2)cc1 1786548060 LWVVRIQDDYRRBZ-OAQYLSRUSA-N 499.558 5.182 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(Br)c3)CCC2)cc1 1787890406 GCUWTXPMADUTNJ-UHFFFAOYSA-N 460.759 5.154 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CCC1 1788894216 IGDMJDUUBJROBP-ZTKZIYFRSA-N 454.574 5.059 30 20 JKED COc1ccc2c(/C=C/C(=O)Nc3ccc(C4(NC(=O)[C@H](C)ON=C(C)C)CCC4)cc3)c[nH]c2c1 1789119339 PJBFYZBLWGIMRE-HBYKMFCXSA-N 488.588 5.125 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1 1789576458 XRRCNUXMSSTRDC-MZJWZYIUSA-N 470.356 5.453 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)ccn1 1789772593 AWTORZKFWNXUTG-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])cc2)CCC1 1790084497 ZTWBEIXPERCESA-UHFFFAOYSA-N 481.549 5.049 30 20 JKED CCSc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790258305 CINHQZNNYKOWRE-UHFFFAOYSA-N 456.571 5.127 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3F)cc2)CCC1 1790325473 ZQPXPKMJYVWDRG-OAQYLSRUSA-N 499.558 5.182 30 20 JKED CCOc1ccc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)[C@@H](C)ON=C(C)C)cc2)CCC1 1790567559 MEYRYKBEKJHVLV-QGZVFWFLSA-N 471.985 5.287 30 20 JKED COc1ccc(OCC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cc1 1790765817 GETUPXOXBUUNMJ-UHFFFAOYSA-N 489.959 5.047 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5c4OCCO5)CCC3)cc2)c(Cl)c1 1790766744 AMKNGDBCVSZBAZ-UHFFFAOYSA-N 487.943 5.044 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791243752 DTZRFYDKWMKLMV-BVYCBKJFSA-N 469.626 5.026 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)coc3C)CCC2)cc1 1791299418 IAYLUDZUVPLEIO-UHFFFAOYSA-N 456.411 5.566 30 20 JKED CCCCCc1ncc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)s1 1792232612 CRBYXTSFYZYFQP-UHFFFAOYSA-N 450.608 5.317 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccoc2c1-c1ccccc1 1799114701 JGWLOQPVOOHUSQ-LRSLUSHPSA-N 457.574 5.448 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccccc3)cc2)c1 1800349200 UGPJGFHDQDGIPH-JTMVAAEOSA-N 479.580 5.672 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)Cc1cccc(Br)c1 1802058385 ZLMLOCAPHAYCCH-OCYFJXFZSA-N 473.455 5.034 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)CC2)C1 1806016247 RXMHWIKWAFBSIX-UHFFFAOYSA-N 492.660 5.211 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3ncccc23)[C@@H]1c1cccnc1 1809010598 USUOYXZCPIWNDZ-FIPFOOKPSA-N 498.703 5.001 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1)c1ccccc1 1810443314 GVMYPGIRUBUBFT-IUAQSZDVSA-N 491.591 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1810489715 NFVLVXAWKPXRRH-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1812200020 RIKVYZTYPBLOFB-CVDCTZTESA-N 477.630 5.314 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813226862 VKEOPKCRYCYPBS-AUSIDOKSSA-N 491.941 5.267 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1813839256 XDISDQMCBOLVDJ-ATIYNZHBSA-N 496.127 5.414 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)oc2ccccc12 1814379726 PDIYQHOTGNTFDC-QHCPKHFHSA-N 481.556 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)c3ccc(Cl)cc3)n[nH]2)c1 1814661538 WXMUBAAERIEGBM-QZTZHPFYSA-N 490.007 5.800 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814735171 AUFXHANDROQNNU-OTRAAIJSSA-N 473.602 5.071 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)(C)C)oc2C)n[nH]1 1816462576 XOYPUCRUCXKLQD-NRFANRHFSA-N 452.599 5.683 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(-c4ccccc4)n3)n[nH]2)c1 1818197707 GQZDNYPIKKAYHQ-VWLOTQADSA-N 494.530 5.102 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cn(C)cc3C(F)(F)F)n[nH]2)c1 1818346893 KSEMMUFPLKEWFR-VFNWGFHPSA-N 498.509 5.014 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1Cl 1818812693 KBBKHWUGQZYIFB-VDZCTEQFSA-N 499.958 5.700 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(OC)cc3)CCC2)[nH]n1 1819309217 OWUKZOZRNDRXSO-ISKFKSNPSA-N 476.621 5.301 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)[nH]n2)c1Cl 1820218689 BCGRVEBZKHMDER-NRFANRHFSA-N 490.926 5.175 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)c1 1820483960 MQZMONHMTKXTQL-SANMLTNESA-N 490.567 5.272 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)cc1 1820547593 UENYBNWZTXQSCI-FQEVSTJZSA-N 473.533 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)n[nH]1 1820670770 GTKINWUBXFARPX-LJQANCHMSA-N 474.646 5.152 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)ccc2[nH]1 1821280067 OQAPIUCALDOTLS-QHCPKHFHSA-N 486.963 5.344 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccsc4[nH]3)n[nH]2)c1 1821437578 KYDJIIVNQYBMHE-QVKFZJNVSA-N 472.574 5.199 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821756850 QRXXEKZITBAXJU-LADGPHEKSA-N 484.044 5.127 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1)C(F)(F)F 1821994441 VBJLHUSLYBEKBC-HNNXBMFYSA-N 469.533 5.023 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(F)cc3)n[nH]2)c1Cl 1822219881 AQVLFTIYNUQTNC-NRFANRHFSA-N 479.943 5.013 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)Cc2ccco2)n[nH]1)c1ccccc1 1822844029 GNMKGYAUQPHORA-GRYUFTJMSA-N 472.589 5.071 30 20 JKED Cc1cccc(F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1823126462 HIZLBHQPUBIYCK-LJQANCHMSA-N 465.916 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC(F)(F)F)[nH]n2)c1 1823212821 WOSMMABSVNZZKN-HNAYVOBHSA-N 461.488 5.075 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1)C(F)(F)F 1823289629 IAPOITHUYXNYIK-INIZCTEOSA-N 474.405 5.161 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)cc1 1823674121 JOBBJZQELKGYDP-JOCHJYFZSA-N 485.415 5.002 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)C2CC(F)(F)C2)CC1 1823853535 HHTOHEXLACSQKL-HHHXNRCGSA-N 490.594 5.365 30 20 JKED O=C(c1cccc2ccncc12)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056861 FQBZUEABQONNCC-MHZLTWQESA-N 486.015 5.173 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824226120 JRRQBRVLVVVYGS-SHQCIBLASA-N 477.649 5.107 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C(C)(F)F)CC2)c1 1824634350 VZGYROGKLLFONE-AVRDEDQJSA-N 459.581 5.228 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2nc(-c3ccccc3)sc2C)CC1 1824956969 XZPVOWANQOGHCP-XMMPIXPASA-N 497.730 5.200 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)cc1 1825032005 HJJOHCKQODOLBK-QHCPKHFHSA-N 484.065 5.068 30 20 JKED CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC#N)CC2)cc1 1826320603 DLYOBHWXSAEURP-ATIYNZHBSA-N 495.664 5.207 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F 1826440174 CFKORAGAWRBDDF-IBGZPJMESA-N 493.353 5.110 30 20 JKED Cc1cc(C)nc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1827319341 BSZITTJYJAFMFA-DEOSSOPVSA-N 498.549 5.136 30 20 JKED CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CCCCC1 1827327376 CLRNQAHYLZGLRE-OAQYLSRUSA-N 490.570 5.176 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1827333342 FEJCYXOHDOYOCD-MHZLTWQESA-N 487.644 5.184 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1827334386 LVCJIQANUGLRRH-RLWLMLJZSA-N 475.633 5.203 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)CC1)c1ccccc1 1827416571 PDDLSIJZJHSHPG-RSXGOPAZSA-N 499.611 5.365 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)c1 1827734723 IFWMRABKCAFQHZ-QHCPKHFHSA-N 490.991 5.347 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828098060 VDCVXYVDLUKPMB-HSZRJFAPSA-N 467.679 5.830 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1 1828906639 YMEVTMSXTDCWMJ-HHHXNRCGSA-N 489.736 5.519 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829354131 VDJSTGFNSKTLFQ-UNMCSNQZSA-N 463.544 5.102 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829569887 DLSKHMJBGLJNLU-NVQXNPDNSA-N 493.673 5.411 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829687854 JKLYINDWTXDKNL-NRFANRHFSA-N 485.415 5.116 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)c1Cl 1829690164 NWTJGCIKAKUPBT-NRFANRHFSA-N 481.021 5.302 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccoc4c3)CC2)c(Cl)c1 1830722153 ARGGRMLNFFUPEH-XMMPIXPASA-N 475.976 5.505 30 20 JKED CCc1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830754647 DTFJNGUSQLMUMX-DEOSSOPVSA-N 498.549 5.082 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1C#N 1831791683 SFOIAPVJPWVQJX-FCEKVYKBSA-N 499.655 5.382 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1831849515 ZJZQKNLOPDLYPG-VWLOTQADSA-N 479.571 5.064 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1832030175 IMNWCXRGSRTVPG-OAQYLSRUSA-N 467.412 5.559 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccco4)no3)CC2)c1 1832630427 HYHSEZVHAIEMQT-NTKDMRAZSA-N 486.572 5.109 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)CC1 1832699690 AGYITOPTMZUZHR-HSZRJFAPSA-N 480.571 5.230 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832711530 ZWIDEAVZUQIRMA-IERDGZPVSA-N 454.508 5.290 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2ccc(F)cc2C(F)(F)F)C1 1846885629 DJGIDQTXICIOCE-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(Cl)cc1Cl 9825740 UHAGKFQFEKAYEO-UHFFFAOYSA-N 481.836 6.439 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 9826866 DDPKROJGGSAGDO-OAQYLSRUSA-N 478.405 5.040 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10753701 XKTWCELHXSEPIO-UHFFFAOYSA-O 497.830 6.190 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(Cl)c2)cc1 10830364 FFXUKEXHZBTQPG-UHFFFAOYSA-O 455.003 5.388 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(C)c1 11208777 WCENXBOXVWCYNI-AREMUKBSSA-N 466.610 5.832 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccc(F)cc1 16835768 OYOIOTQEFQGOAY-OAHLLOKOSA-N 481.622 5.592 30 20 JKED CCn1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17126241 BYMBPHJNGSAGGB-MYYSRTQBSA-N 486.638 5.128 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nnc1-c1ccc(F)cc1 18773114 OMZFQSYKHNRXGV-UHFFFAOYSA-N 465.579 5.433 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCOc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 19316911 MIAIZABRPHFZGU-OAQYLSRUSA-N 462.619 5.161 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(F)cc2)cc1 22730459 SRWAXGOOGJOPKE-UHFFFAOYSA-O 458.376 5.489 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(C(CC)CC)cc2)cc1 22730924 BSJGSCBPHYQECL-UHFFFAOYSA-O 461.651 6.636 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nc2sc3c(c2c1=O)CCCC3 23559441 YCMGEYIZELTXNI-ZDUSSCGKSA-N 484.672 5.291 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)cc1 45520975 BFVKQVZLVDYNEZ-QHCPKHFHSA-N 464.953 5.448 30 20 JKED CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 71934803 XOEGVAIADJCKFX-HSZRJFAPSA-N 472.589 5.684 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc(C)c(SCC#N)s1 71961647 SKISKRNUDQATTN-UHFFFAOYSA-N 461.572 5.181 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 218649120 XXUGCRVDFVLTAS-QGZVFWFLSA-N 490.535 5.091 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc2ccccc2n1C(F)F 481597495 NSZADBJQYUQWJE-OAHLLOKOSA-N 479.462 5.904 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 487762739 TZLQUEFZMPXWRS-OAQYLSRUSA-N 492.442 5.622 30 20 JKED COc1ccc(C#N)cc1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 493224875 FNYNWIPGKQLXHC-UHFFFAOYSA-N 499.596 5.074 30 20 JKED Cc1ccc(-c2csc3ncn(CC(=O)c4cn(CCC#N)c5ccccc45)c(=O)c23)cc1C 496104542 JBSNQPMNOKPLPQ-UHFFFAOYSA-N 466.566 5.493 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)cc1 498377545 NBLBWFRPSWGTRC-UHFFFAOYSA-N 454.935 5.462 30 20 JKED CCCc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)nn1-c1ccccc1Cl 501317651 XDMMFGBBXXZYOE-KRWDZBQOSA-N 477.977 5.495 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C 501452335 QLTOEKMUSBVZTR-UHFFFAOYSA-N 483.597 5.260 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4nc(C)c(SCC#N)s4)c23)cc1 504802041 QTYCNTSGGHCQIF-UHFFFAOYSA-N 483.669 5.778 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 509659875 WIPKVWCKANVFCP-ATIYNZHBSA-N 473.529 5.019 30 20 JKED C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509848462 BWEDVKNDBRYYFL-HXUWFJFHSA-N 466.545 5.137 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)CC1 512281788 ZOZUAHJTIIHBOR-JOCHJYFZSA-N 492.988 5.643 30 20 JKED COc1cccc(OC)c1Oc1ccc(CN=c2c(C#N)c[nH]c3c(F)ccc(Cl)c23)cn1 515555279 YIEICMQHIANSKM-UHFFFAOYSA-N 464.884 5.137 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2Cl)cc1 517115098 IYKICOQWGTUGFA-UHFFFAOYSA-N 472.932 5.951 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)Cc2csc(CC)n2)c1 517902179 QEEPSQUXEBWLSK-UHFFFAOYSA-N 490.050 5.012 30 20 JKED CC(C)n1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2cc(Cl)ccc2c1=O 518127698 HSWJJNAZWUXBQK-OAHLLOKOSA-N 487.050 5.613 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)ccc1I 518151833 XRAWHUQRCMWIIR-UHFFFAOYSA-N 494.251 5.707 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1C 519947143 RQHWETZZPJZRDO-JOCHJYFZSA-N 491.595 5.824 30 20 JKED CCn1c(SCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)nnc1-c1cccc(C)c1 521500646 PRCGBMJMKHAAKL-VWLOTQADSA-N 497.624 5.326 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)CC2)c1 521513758 OFNRMMSSHVKHOG-UHFFFAOYSA-N 472.932 5.341 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 521749784 WMAJCUOGFMGGNX-KNQAVFIVSA-N 454.599 6.373 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 524390814 DKUNQRFQZOFCOF-UHFFFAOYSA-N 475.548 6.259 30 20 JKED N#C[C@H](C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1 594363338 VGMFZGFRANODHJ-LJQANCHMSA-N 494.544 5.552 30 20 JKED CC(C)CN(C(=O)c1ccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)s1)c1ccc(C#N)cc1 603739358 UNZCLHWXRGNGEL-UHFFFAOYSA-N 484.625 6.097 30 20 JKED N#C[C@@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2n1 603835793 YNUZVWLYEOENLA-LJQANCHMSA-N 456.889 5.899 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 604003908 REJIXFVLJQHKHJ-UHFFFAOYSA-N 486.575 5.911 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC3CCCCC3)cc2)cc1[N+](=O)[O-] 604539637 XJARZTJDUDETEF-UHFFFAOYSA-N 488.548 5.377 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)c2)cs1 609060924 HIFOWRNNYYVXKL-UHFFFAOYSA-N 469.566 6.042 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccccc1Br 609068179 DCMJBSNBNHIYTI-UHFFFAOYSA-N 457.349 5.009 30 20 JKED C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609082585 QXOGYCFJRMEFOH-AWEZNQCLSA-N 468.435 5.434 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2F)c1 609104343 DKGXMIHTUKTWPM-UHFFFAOYSA-N 497.979 5.482 30 20 JKED C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 609125585 IUTPOCRLAVYIFN-LJQANCHMSA-N 468.582 5.479 30 20 JKED CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208982 MQIQORHEYBMMRV-UHFFFAOYSA-N 499.527 5.071 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2sc3c(c2c1=O)CCC3 609371053 WEWOXJVCWDGPGD-OAHLLOKOSA-N 496.683 5.258 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 609398385 XMVWEJJILFRWAF-MHECFPHRSA-N 455.587 5.736 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 609400666 QUCZLSQMDUOCCM-DEOSSOPVSA-N 475.639 5.477 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 609403367 QKVHTKLTJZUETB-JPYJTQIMSA-N 478.017 5.630 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609438796 XHQHOQJKWUOIPO-UHFFFAOYSA-N 454.313 5.254 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3c(C)noc3C)n2)cc1 613314638 RVTIPUBWGDMHJB-FQEVSTJZSA-N 459.596 6.506 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613319535 GCNJBKIKXSTVIA-LJQANCHMSA-N 463.946 6.137 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)cc1 615370533 PMGSTGWAKHBFHA-JOCHJYFZSA-N 480.362 5.515 30 20 JKED CC(=O)N(c1nc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cs1)c1ccccc1F 618498284 YBDNXDJKEOIAHB-STQMWFEESA-N 469.426 5.530 30 20 JKED C=CCN(C(=O)c1cc2ccc(F)cc2s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 620675400 JHTBQLHGRALBHR-UHFFFAOYSA-N 472.588 5.400 30 20 JKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 622539272 NGKAWHYVVIQERZ-UHFFFAOYSA-N 495.376 5.987 30 20 JKED O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1Cl 642193403 HCZIJMXVGWCJBD-IUCAKERBSA-N 477.776 5.547 30 20 JKED Cc1nc(COc2ccc(C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc2)no1 642281526 OHQFAPCHBRYBJB-DHMAKMBKSA-N 474.586 5.371 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccccc1 662024059 FWFMMOPCBKGLHV-LJQANCHMSA-N 458.591 5.053 30 20 JKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726073774 HIASSTVLEGENFF-NDEPHWFRSA-N 478.596 6.874 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1c(C)cccc1C 726393906 RUDHDZLGXXGOOR-IFMALSPDSA-N 467.635 5.306 30 20 JKED CNC(=O)C[C@@H]1S/C(=N\[C@H](C)c2ccc(Cl)cc2Cl)N(Cc2cc3ccccc3[nH]2)C1=O 726396337 JEYUGUNVGLLJCH-IPDRRRFLSA-N 489.428 5.172 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1Cl 726409239 QATQXHYQUUYYAX-HXUWFJFHSA-N 482.924 5.104 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)cc1 726414865 FKFPKWXAVKLLDY-HSZRJFAPSA-N 474.586 5.029 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1 726415781 OBQQQBOQPCYFEL-QFIPXVFZSA-N 497.617 5.835 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2ccccn2)cc1 726416618 XTYHHXCPRLZIPH-DEOSSOPVSA-N 488.613 5.072 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)S/C2=N\[C@H](C)c2cccs2)no1 726418654 ACQMVPZILKIQPM-JGNKGZAFSA-N 489.022 5.288 30 20 JKED N#Cc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1Cl 726439568 CJFZYMZMIKUGLS-UHFFFAOYSA-N 462.018 5.557 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(CC)cc2)c1 726573826 RNFJGQUPBNBEEP-UHFFFAOYSA-O 454.402 6.148 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCc2cnn(C)c2)c1 726738666 ZSPYWJZVJUDYGG-XMMPIXPASA-N 489.645 5.137 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(Cl)nc2)c1 727159078 BRSRWDXLSXWTED-UHFFFAOYSA-O 468.002 5.061 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2cnn(C(C)C)c2)ccc1Cl 727318193 SKLMZRMEMVRLJE-UHFFFAOYSA-N 493.416 5.404 30 20 JKED N#Cc1cccc(COc2ccc(N/C=C3/C(=O)N(c4ccccn4)C(=O)c4ccccc43)cc2)c1 728016057 VHRHACUPWHJACC-NLRVBDNBSA-N 472.504 5.172 30 20 JKED N#C[C@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nc2ccccc2o1 728147567 IYULATJFVQHZDO-JOCHJYFZSA-N 453.929 6.293 30 20 JKED CN(Cc1cccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1)C(=O)C(F)(F)F 728463981 LEFUHEXUWHQTSB-UHFFFAOYSA-N 453.420 5.124 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 730664850 ZMVWDUMASZQQCK-UHFFFAOYSA-N 478.593 5.195 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730687219 MIBNYJXNYHYPOT-AWEZNQCLSA-N 475.904 5.104 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCCC1 731075854 MNLUCTIALLHYCK-SFHVURJKSA-N 454.567 5.604 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Br)cc2ccccc12 731077063 FIWCYXPJDNNMMB-OAHLLOKOSA-N 483.387 5.792 30 20 JKED N#C[C@H](C(=O)c1sccc1S(=O)(=O)C(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 731135601 FMVZIDUCWFVGLF-SNVBAGLBSA-N 493.365 5.665 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc3ccccc23)n1 731304093 IWNJWSLTHPDWAC-RUZDIDTESA-N 496.592 5.409 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2Br)on1 743441889 XULBXQGFZKXCSZ-SFHVURJKSA-N 492.329 5.320 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccc3cccnc23)C1=O)NCc1ccccc1 744994135 WPMVUKLIFKXJQO-XMMPIXPASA-N 498.583 5.212 30 20 JKED CC(=O)c1cccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 747020733 GMHMTFLQLUZGIT-IBGZPJMESA-N 473.381 6.355 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCCOC3CCCC3)C2=O)c1 747042059 DYELIHMSBUUDTF-HSZRJFAPSA-N 499.608 5.144 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCCOC3CCCC3)C2=O)c1 747042065 DYELIHMSBUUDTF-QHCPKHFHSA-N 499.608 5.144 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cscn3)C2=O)c1 747603626 UUUUONSRFQHXGL-OAQYLSRUSA-N 478.643 5.537 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1cscn1 747604128 YKDZJQQXYYZSGC-JOCHJYFZSA-N 478.643 5.483 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)c2sccc2C#N)cs1 748096856 QLVBKZAPQHAREU-UHFFFAOYSA-N 451.451 5.137 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 749360852 IJLFVBYORWSNPV-UHFFFAOYSA-N 466.488 5.886 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1 750394571 IFJQPZVAFBNWHQ-HTAPYJJXSA-N 469.570 5.470 30 20 JKED CN(C)c1nc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(Cl)n1-c1ccccc1 818267378 YCTBUOQDRGMHAR-UHFFFAOYSA-N 472.405 5.011 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cccs3)C2=O)cc1OC 837392496 WDYNOUIXPXLBIU-QFIPXVFZSA-N 495.626 5.234 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4sc5c(c4C#N)CCC5)cc3)ccc12 877883811 HWMVHEPBVGWFPK-UHFFFAOYSA-N 456.523 5.355 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1OC 914556445 FPDXRTSXHITCAZ-DEOSSOPVSA-N 489.597 5.002 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)cc1 914772843 QEYWYAWQQNEMDD-HSZRJFAPSA-N 477.561 5.133 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 915087340 SBNWURIXSYJOEN-XCZPVHLTSA-N 493.994 6.495 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 915088683 UVLBMGCEKXDRCH-NSOVKSMOSA-N 459.549 5.842 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCOc1ccc(Cl)cc1Cl 916902687 IOVNBOWFTXXZIC-CQSZACIVSA-N 469.752 5.470 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Br 916910311 SMCSTSSHAUOIDK-LJQANCHMSA-N 493.357 5.530 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12 916918473 PLRYWGAAMALFDU-QWUACUGRSA-N 476.376 6.238 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)cc1 916951225 WWXCTHREHRBEGX-DEOSSOPVSA-N 467.525 5.132 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(COc3ccc(F)cc3)n2)cc1 916951460 YMQALZIEELHODP-QRWLVFNGSA-N 451.523 5.336 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cs2)o1 916997336 WMEVALYTHFNKAY-OAHLLOKOSA-N 474.394 6.561 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc(I)cc1)c1nc(-c2ccccc2)cs1 917026433 ZBBGNFUAIVIKOY-QGZVFWFLSA-N 486.334 5.254 30 20 JKED N#C[C@@H](C(=O)c1ccc(CN2CCCCC2=O)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917043652 MOWUFNYVMPPQPO-KRWDZBQOSA-N 457.477 5.318 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)CCCC3)cc1 917612074 FMRBMXBUAMKATG-UHFFFAOYSA-O 454.619 6.000 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1Cc1ccc(C#N)cc1 917661288 BBPQMNLSUHFNBP-VWLOTQADSA-N 497.624 5.093 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc(Cn3cccn3)c2)C1=O)Nc1ccccc1 917673256 APLKTRSTEJMVMC-VWLOTQADSA-N 495.608 5.092 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccc(C)n2)C1=O 917678750 HAKZBNCFXCCPKP-JOCHJYFZSA-N 495.004 5.213 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 920108688 IUQAKXMEVXWUQC-GFCCVEGCSA-N 480.398 5.386 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)n2)cc1 920144234 YYIFFJXQTSNMHG-NHCUHLMSSA-N 477.586 5.131 30 20 JKED Cc1ccc(OCc2nc(C=Nn3c(C)nc4sc5c(c4c3=O)CCCCC5)cs2)cc1 920363288 XOTNTIKVEQVTRT-UHFFFAOYSA-N 464.616 5.261 30 20 JKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(OC(F)(F)F)cc1 920523584 LGRCZVZLHBWWBI-AWEZNQCLSA-N 475.423 5.226 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc(-c2c(F)cccc2F)cs1 920804125 LOJINPYKRFDFFC-SFHVURJKSA-N 450.510 5.806 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc(-c2c(F)cccc2F)cs1 920804266 NLNJFFNRSZKJKD-DOTOQJQBSA-N 466.513 5.209 30 20 JKED CCC(CC)c1cc(Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)on1 1694292120 QTSJUCFFUPZRJY-UHFFFAOYSA-N 489.668 5.000 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)CCC2)cc1 1785934071 BLKSEHWLGZFUII-UHFFFAOYSA-N 462.937 5.292 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)ccc4F)cc3)CCC2)CCC1 1785958908 CQONWAYPIUABAD-UHFFFAOYSA-N 470.342 5.030 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1786104442 SYWSOVRLZJKFDM-PZGXJGMVSA-N 493.648 5.288 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc(Cl)c3F)CCC2)cc1 1786368485 HYFQUMHJDKCPLQ-UHFFFAOYSA-N 462.924 5.349 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1789490451 WRNGZBSGASXUFH-QFIPXVFZSA-N 465.981 5.142 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=N/N4CCCCC4)cc3)CCC2)cc1Cl 1789515360 KZEVYSZVUWCOKA-RDRPBHBLSA-N 497.039 5.347 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1789577027 NCFVZOAOCQMEOS-MUFRIFMGSA-N 486.959 5.348 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cncc5cnccc45)cc3)CCC2)c1Cl 1790010539 YMRSGKZSZWXGBN-UHFFFAOYSA-N 481.943 5.216 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)[nH]4)CCC3)cc2)c1Cl 1790083769 LEHVIZJQCHQMNH-UHFFFAOYSA-N 486.881 5.620 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)CCC1 1790810775 PNFLPDLDECRZCJ-UHFFFAOYSA-N 472.507 5.569 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790959119 PANNNQIZCKNRFY-CCVNUDIWSA-N 474.948 5.281 30 20 JKED Cc1cc(C)n2ccc(C(=O)Nc3ccc(C4(NC(=O)/C=C/C(=O)c5cccs5)CCC4)cc3)c2n1 1791003595 VIALMENGNSVENK-ZHACJKMWSA-N 498.608 5.199 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cnc(CCCCC)s3)cc2)CCC1 1791076728 GADYGKFFLRJNQN-UHFFFAOYSA-N 483.634 5.133 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)CCc4cnc5[nH]ccc5c4)cc3)CCC2)cc1 1791489575 RWCKUBLXFKTJCK-UHFFFAOYSA-N 491.595 5.134 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791492885 WVJMULYPIVVAHR-HKLKAILGSA-N 493.648 5.288 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccnn45)CCC3)cc2)c1 1792127283 VADQSDNUALUPPI-LJQANCHMSA-N 463.541 5.023 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2)CCC1 1792196946 FOOYHSHQNJSRHV-LJQANCHMSA-N 492.620 5.220 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC(C)C)CCC2)cc1 1792337467 REHIMAOOIDJKIR-XHCCPWGMSA-N 469.626 5.026 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1oc2ccccc2c1C)c1ccccc1 1797417764 LXDGIWORLUNCDE-AANQFLQQSA-N 454.570 5.190 30 20 JKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](c1ccc(OCc3ccccc3)cc1)C(C)C)C2 1802316206 KNGWATDUEDZZJV-GIBNYFNHSA-N 460.618 5.220 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2F)[C@H]1c1cccnc1 1802494051 AYOSKQMZTCHFFE-YKSBVNFPSA-N 462.569 5.014 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1803091157 NFHPLLXYIMGZIL-NEKDWFFYSA-N 493.607 6.069 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1803602014 QWNPZCJSZIHHFW-RCXJIHSJSA-N 491.632 5.162 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803602750 DXSQGCZMKXDEED-DBVUQKKJSA-N 499.986 5.028 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1804845780 NKRYFQRKERYPIB-YIOBJHAYSA-N 482.628 5.473 30 20 JKED N#CCCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1806869563 RYRQFRBLJZLVON-POURPWNDSA-N 488.676 5.755 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3c(s2)CCC3)[C@@H]1c1cccnc1 1810273279 DNNMDPMQBSIKRA-BKMJKUGQSA-N 493.749 5.003 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[C@H]1c1cccnc1 1810469050 OLROLDRFHGLBOS-DURWQBQJSA-N 475.539 5.175 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1810499376 CQXQJORGOYZRTD-OZXSUGGESA-N 470.617 5.250 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(ccc4ncccc43)s2)[C@@H]1c1cccnc1 1811288084 XXLPODIBSQNOMY-UDJSKEQPSA-N 484.625 5.376 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1812129599 UPSAGVYSWVCUDV-ROKPMTFOSA-N 462.619 5.021 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1812499189 PRPKRYIEPCFTOF-XUZZJYLKSA-N 480.052 5.465 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1812701140 WXXSNRGWOMKKJD-PJTSNVSCSA-N 460.622 5.245 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)[C@H]1c1cccnc1 1813231842 YOKONRIAPFGMDO-FIBWVYCGSA-N 497.614 5.325 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1c1cccnc1)c1ccccc1 1813547707 LLBOWWYYYZITOE-XWVPDDBYSA-N 471.645 5.111 30 20 JKED CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1813865294 PJRARTXGIXORPX-XGIDPOPLSA-N 480.612 5.222 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)[nH]n2)C1 1814393474 CQPJWHCDLBYBGX-JOCHJYFZSA-N 478.984 5.034 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938105 CTSUNNGGLWZBEY-FUDKSRODSA-N 487.044 5.068 30 20 JKED Cc1snc2sc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)[nH]n3)cc12 1817831015 UKUISLOPUVQAJH-GOSISDBHSA-N 494.577 5.020 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818867437 CAICDCUHPHTFGZ-MQSCRBSSSA-N 473.964 5.044 30 20 JKED C=CC[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)sc2C1 1818907376 HRJHGXLZMTVKDJ-BBRMVZONSA-N 469.010 5.091 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccoc2Cl)[nH]n1)c1ccccc1 1819520468 JDDIWDBAQHBQCL-WIYYLYMNSA-N 464.953 5.159 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(Br)cc2C)[nH]n1 1819553700 RYWZXDNCCYTDQR-GOSISDBHSA-N 488.430 5.174 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2cc(OC)ccc2OC)n[nH]1 1820929056 HUXVFZWITSLPTQ-HSZRJFAPSA-N 496.652 5.434 30 20 JKED Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)c1 1821107828 INULQOXXXRNHBA-QHCPKHFHSA-N 489.551 5.136 30 20 JKED Cc1cccc(Cl)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1821145803 DBSQXPBURBLSMI-VGSWGCGISA-N 475.980 5.618 30 20 JKED CC(C)(C)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821309075 VQPLHSUSDUXFKN-SFHVURJKSA-N 461.488 5.042 30 20 JKED C[C@H](c1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)cc1)C(F)(F)F 1821787937 FOLBYWVKCULHEQ-UZLBHIALSA-N 487.526 5.004 30 20 JKED Cc1scc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1C 1823211123 JYEFSWBZPBBZNN-OYHNWAKOSA-N 461.591 5.335 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccccc3Cl)[nH]n2)c1 1823212312 SYEHVECYMGPXFL-GAJHUEQPSA-N 475.980 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cccc2OC)n[nH]1 1823251950 RSWTZQQPUKFPRK-VQIMIIECSA-N 456.974 5.146 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)[nH]n2)CCC1 1823378310 IPAYNFKECKCSAH-HXUWFJFHSA-N 482.544 5.151 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2)CC1)c1ccccc1 1823625323 AOAMHFNFOUYDTR-DQEYMECFSA-N 478.036 5.166 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)CC2)C1 1823698621 YPEIGZNTDAHTSW-DEOSSOPVSA-N 497.561 5.365 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)[nH]c2ccc(Br)cc12 1823887833 OTZIBDLVABTHPZ-NRFANRHFSA-N 499.453 5.022 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccccc2F)CC1)c1cccs1 1824165834 ZRWVOYFKFPROFW-XXFRDUSWSA-N 496.648 5.269 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825575415 NSKNCCBJEWZBCC-DFBJGRDBSA-N 451.586 5.266 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)cc1 1826401596 SMUJFXTXBGHYSD-LJAQVGFWSA-N 479.624 5.382 30 20 JKED Cc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1826493368 DDBGCZPPSQMART-AMGIVPHBSA-N 457.618 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)CC1 1827720153 RUCZMMLFJRQBNK-VWNXMTODSA-N 478.662 5.207 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CC2)CC1 1828447748 CFCFHCHOTHIDDQ-DEOSSOPVSA-N 499.493 5.294 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCC([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828466244 YEAMPJHHSJRNLQ-QGZVFWFLSA-N 494.451 5.420 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828467018 CHQNPCGFXZQWPC-GOSISDBHSA-N 494.451 5.420 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c1 1828668482 DTEPRVWGWYQVRL-VWLOTQADSA-N 486.641 5.034 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2OC)CC1 1828831457 UWPNJQWUVWCHMH-ZEQRLZLVSA-N 473.057 5.279 30 20 JKED O=C(c1ccc(-c2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828917748 DLXRJZLMKJQUMV-OSIOQHOLSA-N 486.660 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1829069318 VZGXNROMUCTEHH-MHZLTWQESA-N 473.661 5.974 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829564792 CBTJLEZDSNDAII-RUZDIDTESA-N 482.628 5.389 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)ccc1Br 1830015140 JRHGIZPLHQUOCA-XMMPIXPASA-N 494.433 5.176 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1830015507 SGZXDNQYXNATLV-HSZRJFAPSA-N 470.400 5.412 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCCC[C@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1830532445 QLCVDNHQUOUDAT-SFHVURJKSA-N 494.451 5.420 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1830595899 OBOGDFZABIDOKF-DEOSSOPVSA-N 464.009 5.262 30 20 JKED CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830630161 KEXYHHBFVICLFF-RRPNLBNLSA-N 457.618 5.180 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059048 DFVCKFURWATYFN-QHCPKHFHSA-N 480.555 6.031 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1831445741 SZWHFLPLLURXHZ-NRFANRHFSA-N 497.508 5.631 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)CC1)c1ccccc1 1832349524 GYYJZYFFUGZHEP-HHJSHYQQSA-N 489.685 5.282 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)CC1 1836696621 LSRMGQDYOFXOCE-VYCLJVNGSA-N 470.698 5.360 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)CC1 1838354143 YZSBLTPQIURBGA-NRFANRHFSA-N 484.040 5.202 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)CC1 1838373602 YQFOVZYVXVNXNY-ZEQRLZLVSA-N 485.068 5.137 30 20 JKED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2c3ccccc3n3ccsc23)C1)c1ccccc1 1844644592 PMTMAPXKIQESND-JOCHJYFZSA-N 481.621 5.168 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CC2(CCCN2C(=O)c2cccc(C#N)c2Cl)C1 1844735791 JBOHZBBFBHUWOW-UHFFFAOYSA-N 487.987 5.039 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3nc(-c4ccc(OC)c(Cl)c4)cs3)ccc2c1=O 9804113 AGLYKEIHIIYVSO-UHFFFAOYSA-N 484.990 5.283 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1 10170639 USCNKCCETZKKFV-UHFFFAOYSA-O 451.615 6.233 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1cccc(C(F)(F)F)c1 11128713 BMDSCANPCPPKCR-UHFFFAOYSA-O 465.467 5.884 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(F)cc1F 11159322 UUAAWECAXBRGMX-UHFFFAOYSA-O 454.305 5.316 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 11168901 BHINSYDXIPBSLJ-UHFFFAOYSA-O 471.671 6.603 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 12271667 OSHKQNBPZJZFGW-UHFFFAOYSA-N 478.719 5.288 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3)o2)nc2scc(-c3ccccc3)c2c1=O 12848055 RWYACBSNEDUELW-UHFFFAOYSA-N 458.568 5.653 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cl)nc2sc3c(c2c1=O)CCCC3 16715415 PVGBRWQQVUMCLI-CYBMUJFWSA-N 460.024 5.296 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nccn2-c2cccc(Cl)c2)n(Cc2ccco2)c1C 17144847 AOSKOXWFLDRDQG-UHFFFAOYSA-N 465.966 5.188 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nc2scc(-c3cccs3)c2c1=O 18263782 KZAGQFRULUDPSM-UHFFFAOYSA-N 494.623 5.723 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 20865152 NKYYPVAFDKEQOU-UHFFFAOYSA-N 472.482 5.166 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2sc3c(c2c1=O)CCCCC3 20883091 QJEUHYGUDJGJQE-OAHLLOKOSA-N 469.632 5.041 30 20 JKED C=CCn1c(C)nnc1SCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 21989277 RXCGPDBQJDGTDV-UHFFFAOYSA-N 496.061 5.875 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1cccnc1 23283297 XSPDYNCBLSYWRM-LJQANCHMSA-N 486.576 5.204 30 20 JKED C=CCn1c(SC[C@H](O)COCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 24096273 ULOZUDMQZQWXER-LJQANCHMSA-N 450.391 5.108 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(OC)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 24314114 JSPSEZHLTWFURN-ZDUSSCGKSA-N 495.407 5.555 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nc2ccccc2c1=O 24801513 HOLMWWVUHZLXQA-UHFFFAOYSA-N 476.627 5.633 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 25638548 YYDCRYBPARGWDT-GKVSMKOHSA-N 480.659 5.155 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(COC(C)C)cc2)n(C2CCCCC2)c1C 25809919 YJQYEZUAHWXKQG-UHFFFAOYSA-N 451.567 5.202 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1 59794899 IMYSIRIHGFZECY-UHFFFAOYSA-N 466.916 5.212 30 20 JKED O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc(N2CCOC2=O)c1 68792523 DIPLKKWBGTYSBU-VMPITWQZSA-N 483.274 5.470 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c3c(C)noc3n2)c(C)o1 108370608 RPVVJZMNXXDWNK-UHFFFAOYSA-N 492.535 6.305 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1SC 112533081 CQHUFVVODWXIRL-SFHVURJKSA-N 467.934 5.886 30 20 JKED C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cc(F)c(Cl)cc1Cl 195544303 XWHYXKXNHQONEN-GFCCVEGCSA-N 477.323 5.346 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)cc1 255868878 KKEHTOYODJMGKF-XMMPIXPASA-N 472.614 5.421 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 303301006 CQNOLDQPXVRUEY-UHFFFAOYSA-N 470.392 5.461 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1Cl 410312841 WKIXQZVEMVUMLL-QHCPKHFHSA-N 490.966 5.561 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3c3ccccc3)cc2F)c1 481385788 QDTPAQFVEKGTMM-ILBGXUMGSA-N 471.532 5.057 30 20 JKED N#Cc1cc(NC(=O)c2cccnc2SCc2ccc(F)cc2)ccc1OCC(F)(F)F 481853474 OCGPOUPEVCBJBH-UHFFFAOYSA-N 461.440 5.578 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3occc3CN3C(=O)Cc4ccccc43)cc2Cl)cc1 486672128 BJFPSUQWNUVRKX-UHFFFAOYSA-N 483.911 5.939 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 487033421 RSUHWFWPFDVAPC-MRXNPFEDSA-N 487.503 5.289 30 20 JKED COCCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1ccccc1 487250531 KVOJXKMMMXFFMW-NTKDMRAZSA-N 475.976 5.170 30 20 JKED COc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Br 490243887 LXJPGQKACLBMJG-HJPURHCSSA-N 464.363 5.479 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 497952702 PMEYMXJILPCFBL-LJQANCHMSA-N 495.048 5.223 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)NCCSCc1ccccc1C#N)C1CCCCC1 498634613 SIOZOLGDDZMPTJ-UHFFFAOYSA-N 481.687 5.105 30 20 JKED CSc1nn(-c2ccccc2)c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1C#N 501739670 OPPOWXIOEINDMH-UHFFFAOYSA-N 467.765 5.444 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc(C)nc21 508982937 URAKQQFTWHBCRF-LJQANCHMSA-N 455.537 5.564 30 20 JKED CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 509592199 NBBJWMCWVUERCW-QHCPKHFHSA-N 462.937 6.346 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OCC(F)(F)F 510507716 JTTIMTOAICDFJZ-UHFFFAOYSA-N 485.462 5.930 30 20 JKED Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 512279501 GOLOLVLBPLJDNM-UHFFFAOYSA-N 457.599 5.247 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1nc2ccccc2s1 513691395 BYTDVUAELKWCIB-KRWDZBQOSA-N 476.355 5.801 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 515598915 LYOZQAPJRXOBAH-LBPRGKRZSA-N 453.564 5.758 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(CNC(=O)c4cccs4)cc3)n2)cc1 516713880 LWPOJEDWAWNDRT-HXUWFJFHSA-N 468.563 5.163 30 20 JKED COCCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc21 517793512 RLQXJVXOMJIYJV-QGZVFWFLSA-N 470.381 6.208 30 20 JKED Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)c(C)o1 517799026 BWGRNNDYAOZWJC-UHFFFAOYSA-N 478.936 5.204 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)n2)cc1 517800887 NELFKCMYHAVVJS-HXUWFJFHSA-N 466.522 5.754 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc(-c2ccccc2)cs1 518171393 RTSHRTYDFSAHRL-UHFFFAOYSA-N 472.035 5.596 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)n2)cc1 518515496 SKFMGUSULZIJBZ-KRWDZBQOSA-N 464.337 5.664 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 519486466 KHRSSQNPMABESD-AREMUKBSSA-N 453.586 5.371 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl 520198050 YRGQFRAJUHAMEK-HOTGVXAUSA-N 459.974 5.046 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2)c1 521195310 VYKOVJJNIRFIMC-HSZRJFAPSA-N 482.565 5.049 30 20 JKED C=CCN(C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc(-c2ccccc2)cs1 523184166 NNYJUZCXAQBIHE-UHFFFAOYSA-N 456.527 5.758 30 20 JKED Cc1ccc(Cc2cnc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)s2)cc1F 524662411 MNCHIYVLVGTMBV-UHFFFAOYSA-N 450.539 5.128 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 555738356 HHTFQBIHTOJXNN-OAQYLSRUSA-N 455.558 5.605 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 588349107 VZERCDGZXVZUQO-GOSISDBHSA-N 478.430 5.321 30 20 JKED COC(=O)CSCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 594664655 QODRRSPGYBPMSP-VURMDHGXSA-N 456.589 5.144 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 608804884 GMBQPSYDRSARGC-XMMPIXPASA-N 467.912 6.291 30 20 JKED CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)CCc3c(C)nc(O)c(C#N)c3C)cc2)CC1 608898799 DZSDKIBVNVVGDF-UHFFFAOYSA-N 490.648 5.460 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 609031402 HMIGPQWYIUUCHK-UHFFFAOYSA-N 469.560 5.659 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cc2Cl)c1 609079407 AVNURNSHYKQIJO-FQEVSTJZSA-N 486.959 6.343 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)cc2Cl)c1 609226682 CGYASAJOIQKGDB-RUZDIDTESA-N 491.950 5.526 30 20 JKED Cc1cccc(-c2cccc(CNC(=O)C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2)c1 609403983 AHGIYRVBTGWUDV-UHFFFAOYSA-N 497.542 5.942 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)cc1 609413981 ZWGIADNSSXIFDR-UHFFFAOYSA-N 477.586 5.063 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 609437086 PBVIAADMWBRAGS-DYESRHJHSA-N 492.567 5.295 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc12 613289762 QKBYPBLQWBHORF-GFCCVEGCSA-N 497.374 5.018 30 20 JKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c3c(C)noc3n2)c(C)o1 613405011 SITGYBQVRVQCPP-INIZCTEOSA-N 496.470 6.527 30 20 JKED O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618303602 NSLDIFAXOXNNBV-IUCAKERBSA-N 483.783 6.776 30 20 JKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H](O)Cc1cccc(C(F)(F)F)c1 622485063 CTMAOVFIBFEJNK-HUUCEWRRSA-N 459.308 5.047 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2ccccc2)cs1 641902371 WXDCOBVVMIDJOD-HXUWFJFHSA-N 466.006 5.535 30 20 JKED Cc1cccc(-n2ncc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2C(F)(F)F)c1 642158907 XNTXSGYKTMTYLG-RYUDHWBXSA-N 487.366 5.839 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OC 642282714 YGXQEXZUJNUETA-GFCCVEGCSA-N 464.266 5.091 30 20 JKED O=C(Nc1ccc(OC(F)F)c(Cl)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642411169 FLZGAHXWTWVFPH-MBTKJCJQSA-N 454.745 5.972 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642465609 WADIHSPZWGQIGP-ITGUQSILSA-N 488.354 5.922 30 20 JKED CN(C)c1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 642511608 TUHYLRQLBLSULA-NXEZZACHSA-N 465.360 5.802 30 20 JKED C[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 642637185 UWRLXUQISCJWQD-ZWKOPEQDSA-N 450.345 5.975 30 20 JKED CCC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 726074263 OZDVSKWDQHSKEB-VSGBNLITSA-N 495.627 5.871 30 20 JKED CC(=O)Nc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(F)cc1F 726076652 CAUIWDSCJZDDLW-UHFFFAOYSA-N 452.436 5.168 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(C#N)c(Cl)c1 726407647 UJZAHUWLMGOGOX-OAQYLSRUSA-N 482.993 5.147 30 20 JKED Cc1nc(/C=C\c2cnc(-c3ccccc3)nc2)sc1C(=O)/C=C/c1cnc(-c2ccccc2)nc1 726847732 GQLVZJDBCOJSJY-GQJHWZHGSA-N 487.588 6.432 30 20 JKED C=C(Br)CNC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 726847909 BXGVVFMPTKQXBH-UHFFFAOYSA-N 462.731 5.604 30 20 JKED C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)NCc1ccc(OCC#N)cc1 727942506 OALJLAPUZIBKQS-MBSDFSHPSA-N 484.987 6.142 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CN2CCCCC2=O)cc1 727995704 BFRNIIBLABWFSN-UHFFFAOYSA-N 453.542 5.211 30 20 JKED Cc1nn(C)c2ncc(/C=C3\CCc4nc(-c5ccc(Br)cc5)sc4C3=O)cc12 728438474 FVNYAQQGOFGXID-OQLLNIDSSA-N 465.376 5.375 30 20 JKED CCOc1cc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)ccc1O[C@H](C)C(=O)N(C)C 728441044 CFAPGEJRFNREKW-MLFXKNMZSA-N 482.577 5.408 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 728778125 QFEIBCQRQXVKGQ-LJQANCHMSA-N 458.946 5.133 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCCCC#N)C2=O)cc1Cl 728778655 UDHZURPWIDXOGJ-HXUWFJFHSA-N 488.972 5.142 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F)[C@@H](C)c1ccc(C#N)cc1 729175380 UKQVWAQQFUVCDM-MOPGFXCFSA-N 491.588 5.061 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2F)c1 729818649 BYIVQLXOUINVNV-QHCPKHFHSA-N 490.535 5.305 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730435497 APEQIGZUGLPKPF-QXPQOBGOSA-N 465.372 6.076 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C1CCCC1 730520999 AMPSWJJWJHQUHM-QHCPKHFHSA-N 481.618 5.169 30 20 JKED COc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3-c3ccc(F)cc3)s2)cc1 730548160 CDHSWSROLZIMLH-UHFFFAOYSA-N 460.947 5.117 30 20 JKED COc1ccc2cc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)ccc2c1 730584702 YPOHGWGTLFGIIE-UHFFFAOYSA-N 459.358 5.497 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 730952903 YPRTYOZUZBOFJC-CQSZACIVSA-N 458.659 5.788 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 731077233 HIFQXZRGHHUJEZ-GOSISDBHSA-N 471.538 5.398 30 20 JKED CC(C)c1nc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)nn1-c1ccccc1Cl 731078508 PJMKHYRZWJFFOA-MRXNPFEDSA-N 498.008 5.234 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc3ccccc23)no1 731304673 ZLUZTSUZIXJGKE-HSZRJFAPSA-N 486.553 5.002 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2OC)s1 731309035 PIJJBLBCAIXVHU-QFIPXVFZSA-N 495.626 5.185 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)s1 731310818 QPOOGAFHANPYOT-HXUWFJFHSA-N 469.563 5.062 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 731311962 JGSFPPBSMXXZNR-HXOBKFHXSA-N 489.622 5.465 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccsc1)c1cccs1 731313357 YNRLOXDQOJCLOP-NGCUXHAMSA-N 471.629 5.105 30 20 JKED CS(=O)(=O)c1ccc(OCCCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 743447892 UYZCKBUFNQEEMD-QGZVFWFLSA-N 496.532 5.144 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2cccc(OC(F)F)c2)cs1)c1ccc(F)cc1F 746006826 GNEUHAQSJVHHIZ-SOFGYWHQSA-N 450.413 5.603 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(-c2ccc(C)c(C)c2)c1=S 746050377 DGIOWGAXOVLXNQ-UHFFFAOYSA-N 484.629 5.060 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCOC(C)(C)C)c1 746694112 PMIFWBLAKRTNIX-HXUWFJFHSA-N 493.551 5.188 30 20 JKED C=C(C)COc1cc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1OC 747041208 OLRBONWSUKXGNH-HMAPJEAMSA-N 455.601 5.103 30 20 JKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 748705989 XUEXIRBWPSDLIX-RUZDIDTESA-N 488.563 5.349 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 750705450 LABMAAMCTWGOSW-QUCCMNQESA-N 494.592 5.516 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c1 799222551 BFYKRJVKZSOGJN-KRWDZBQOSA-N 471.451 5.050 30 20 JKED Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C=Nn2cnc3sc(C)c(C)c3c2=O)c1 818225499 DJVBCXNVMZINKU-UHFFFAOYSA-N 457.534 5.257 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)s1 821743545 DWXSCHKTFNBYKO-UHFFFAOYSA-N 490.610 5.184 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837783532 GZFZGUYUVCFIOY-VGSWGCGISA-N 479.005 5.765 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 842096204 ICDNVPYYEGNTEC-BENRWUELSA-N 452.532 5.365 30 20 JKED CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)CCC1 904557450 WELWZRIDEALWRC-UHFFFAOYSA-N 483.384 5.930 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NCc2cccc(C#N)c2)c1=S 914446139 LKBBIXZAZNATKY-UHFFFAOYSA-N 453.999 5.113 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2sccc2C)c1 914542349 DMQOAVDYCQBWIR-NRFANRHFSA-N 495.626 5.234 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccco3)C2=O)cc1 916207792 LNCNFBLJFFGVCU-HSZRJFAPSA-N 475.570 5.260 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccco3)C2=O)cc1 916208053 RXJHIVUSFAYQNJ-QHCPKHFHSA-N 475.570 5.260 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccccn3)C2=O)cc1 916208062 SGXZKCMRZZHAEC-DEOSSOPVSA-N 488.613 5.258 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1F 916214616 PUGMOEQTKXMIBQ-HXUWFJFHSA-N 486.931 5.174 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc3ccccc3n2)cs1 916286785 VJXSKUYXGQQHIR-UHFFFAOYSA-N 455.465 5.841 30 20 JKED O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 916698641 XYIYMOUDLPWISR-GDNZZTSVSA-N 459.381 5.596 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 916903611 UXFZSQSBKCWVJW-MRXNPFEDSA-N 490.869 5.131 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1Cc1ccccc1 916905418 OQVIHZFYOGBSBB-RUZDIDTESA-N 463.537 5.907 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1NC(=O)c1ccco1 916906451 TYTISOCMIHYHRI-OAQYLSRUSA-N 479.492 5.594 30 20 JKED N#C[C@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)Nc1ccccc1Oc1ccccc1 916908570 NABMQJMNDQHKCO-HXOBKFHXSA-N 491.956 5.283 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)c2cnn(C(C)C)c2n1 916910234 QVHOPHRYEODPPF-LJQANCHMSA-N 471.948 5.602 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916931058 JAFKIAUAZSRGCT-INIZCTEOSA-N 499.741 6.054 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916939498 PGRFADMGWFWVCM-HNNXBMFYSA-N 478.332 5.438 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)cc1Cl 916941637 ZVZHHNRKXQWZMN-JTQLQIEISA-N 453.734 5.831 30 20 JKED Cc1nc2sccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 917579844 IRZUWJRVMVHWTL-UHFFFAOYSA-N 490.386 5.264 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 917636772 TVWGAMLCVGBXET-FQEVSTJZSA-N 485.487 5.746 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccc(C#N)cc2)C1=O 917668835 HOHURPUKVUIVFS-XMMPIXPASA-N 484.581 5.036 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2CC(F)(F)F)c1 917709608 PPKCIEJSELWTBL-LJQANCHMSA-N 463.525 5.010 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)c1 917713022 KGYIQTNLYDPYNK-KNQAVFIVSA-N 487.572 5.228 30 20 JKED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918488944 HVWOBKIFYTWXTH-CQSZACIVSA-N 473.337 5.454 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)n2)cc1 920138872 LMRCWBDBAMAPMA-QFIPXVFZSA-N 495.560 5.225 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cn2cc(Cl)ccc2n1)C(=O)c1ccccc1 920755527 NRFCZQBYDJHUML-HZHRSRAPSA-N 457.961 6.018 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 920807095 XRSYTQJMFJYKRH-LJTDUEICSA-N 450.388 5.877 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCCCCC(C)(C)C)C3)c1 1782973012 QWYWQDIEERVIPX-OMRWSRCMSA-N 481.681 5.438 30 20 JKED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1785841568 FWIYXEWNISTNIC-NXVVXOECSA-N 493.563 5.192 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1786104536 ZJQBABQWLDCDTD-JKIUYZKVSA-N 481.637 5.192 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3Br)CCC2)cc1 1787890483 PCHCMHJZSCRYLM-UHFFFAOYSA-N 460.759 5.154 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)cc3)CCC2)cc1 1788031492 BGFPOOUMCBIEMJ-UHFFFAOYSA-N 480.612 5.383 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccsc3)cc2)CCC1 1788238960 ZEFNZMBIOVMWBG-JOCHJYFZSA-N 497.661 5.284 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)CCC1)c1ccc(O)cc1 1788459831 QQQGIIPPTHNJDJ-NRFANRHFSA-N 492.579 5.165 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ncccc4-c4ccccc4)cc3)CCC2)c1 1788803876 YMDUGYLEEKUUOP-UHFFFAOYSA-N 461.525 5.010 30 20 JKED Cn1c(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cc2ccccc21 1788887116 ZCHWOMWCIULMPX-BUHFOSPRSA-N 483.593 5.427 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ncc3F)CCC2)cc1 1789454052 NLZZSUKSNMAWSK-GOSISDBHSA-N 486.385 5.499 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)CCC1 1789870195 XLUALOSCMJJOPA-CQSZACIVSA-N 496.917 5.302 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccc(Cl)cc5c4)CCC3)cc2)c1 1790148312 OOTISFDDQJOEFD-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[C@H]2C1 1790454932 SPLPZTANDZISJS-WOVHNISZSA-N 489.616 5.014 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cc4ccc(F)cc4)c3)cc2)CCC1 1790591952 NUYYUBXJAHVMOG-UHFFFAOYSA-N 455.533 5.468 30 20 JKED COCc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)c1 1790784950 FKXCZPOEQNITER-UHFFFAOYSA-N 496.489 5.113 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(C)=O)c(O)c3)cc2)CCC1 1790815593 GKCYAMHZWGAYSW-UHFFFAOYSA-N 463.578 5.091 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)nc2ccc(Cl)cn12 1790976851 ZPTXVHHMDHRLMN-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c3CN(C(=O)OC(C)(C)C)CC4)CCC2)cc1 1791587663 CFRWXPPFYNWMPL-UHFFFAOYSA-N 489.616 5.304 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(OCc4ccccc4)cn3)CC1)C2 1793049059 PIWZPVYIBFPQDS-OOSCYNTBSA-N 499.655 5.099 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccc(Br)cc2)c1 1802013282 ZCXXZKMMEVNKIK-ZHXCQQJKSA-N 492.417 5.041 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1802501045 QTGWTWCJVRNPNI-NLFFAJNJSA-N 491.035 5.595 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2F)[C@H]1c1cccnc1 1802707257 NHIWUCLIBXEEQI-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1803081256 IMNQGLHKHRXAHG-LADGPHEKSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1803088202 IKPXKVCPYIWXDT-UKILVPOCSA-N 486.641 5.293 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccnc(C(C)(C)C)c3)[C@@H]2c2cccnc2)c1 1804863016 YOAWFKVMTHWELT-WMBPSLEXSA-N 495.627 5.035 30 20 JKED CC(C)[C@H](C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C#N)cc3)C2)CC1)c1ccc(Cl)cc1 1804941836 PDADTZHVLGMBGF-MHZLTWQESA-N 492.063 5.425 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccc(F)cc3)CC2)C1 1805456203 HHLKZNMNAOWKPS-UHFFFAOYSA-N 475.608 5.501 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 1806028550 AWSOWNAODVRHSN-HNNXBMFYSA-N 473.828 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808975807 KNCXTPRVPPZVAP-ZEQKJWHPSA-N 455.602 5.547 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810075154 KBDBRKMKBNQUBN-YADARESESA-N 479.024 5.528 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1810170912 ADECBIFVBKSJNS-ZJCBTPCYSA-N 477.008 5.304 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1ccccc1 1810443706 KSEYRKNLEPCAJT-FXVJXKIMSA-N 486.015 5.252 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c(CC)nc4ccc(Cl)cn34)C2)CC1 1810755575 UOWIBLHQVAPTJI-NRFANRHFSA-N 483.056 5.163 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3c(ccc4ncccc43)s2)[C@H]1c1cccnc1 1811288135 YYVASKQMRFWBRG-LYZGTLIUSA-N 496.636 5.358 30 20 JKED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1811412158 FPUIQLKRUXAVGW-MFSJNOQSSA-N 481.706 5.315 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccccc4)c(F)c3)[C@@H]2c2cccnc2)C1 1811438528 NFUCRYVLIKQYKP-KCWPFWIISA-N 469.560 5.174 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)[C@@H]1c1cccnc1 1812592655 YFKJWNPSQZEHCY-OMRWSRCMSA-N 492.623 5.533 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1)C(F)(F)F 1812806916 IEAQYHRXGPPWLJ-CTNGQTDRSA-N 453.549 5.203 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC[C@@H](CNC(=O)C3(C)CCCCC3)[C@H]2c2cccnc2)cc1C#N 1813004632 HXOMJTNYPCYBML-JYFHCDHNSA-N 488.632 5.030 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813051874 XLSBARZCGVWQRY-KSFYIVLOSA-N 478.807 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1813865075 BDGYBQGJTJWCRR-AMDXRBSFSA-N 458.606 5.021 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1815208942 RMBHOHICVSHYHU-IBGZPJMESA-N 498.933 5.371 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817744155 MFUYTFXDLPHEJC-AUSIDOKSSA-N 457.578 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817764592 AKHNFYHJEPWORN-XUZZJYLKSA-N 487.579 5.685 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817773727 QUOFLLDBAUJXNQ-UZUQRXQVSA-N 485.613 5.249 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(C(F)(F)F)coc3C)n[nH]2)c1 1818290408 HSMBDFLBYIFSSQ-IBGZPJMESA-N 485.466 5.130 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncccc2-c2ccccc2)n[nH]1 1818310500 PPUCHIVDSPIFMY-ZJSXRUAMSA-N 469.589 5.546 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCCC[C@@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818939605 IFQKGURTOFFBAC-CQSZACIVSA-N 492.395 5.216 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncccc23)[nH]n1 1819385313 QVIAOQUOGJELKN-DEOSSOPVSA-N 487.680 5.315 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386283 GTRBNQXZWPRTFD-FPOVZHCZSA-N 497.741 5.029 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274550 HTYXNRUKPRJSIG-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1821921483 URJNEAGDIGIWOO-BEFAXECRSA-N 465.520 5.329 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)[nH]n2)c1 1823212942 ZWGDKKWYIVWXJJ-KOSHJBKYSA-N 485.563 5.214 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1824140656 BSCLHZXWUVEZHU-AREMUKBSSA-N 496.602 5.357 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1824141285 YEHHLSALDCLOBT-AREMUKBSSA-N 480.649 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)CC1 1824421455 LGPPVCDPHQFTPN-CLJLJLNGSA-N 466.666 5.303 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3cccc4ccccc34)CC2)c1 1824957106 PSCLJDSEECXXPN-MUUNZHRXSA-N 495.623 5.332 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ncccc4c3)CC2)c1 1828034850 QGEHOWKDQZGEPC-LYZGTLIUSA-N 480.612 5.409 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c(Cl)c1 1828190180 GDPUYYKJZNPSPG-QHCPKHFHSA-N 475.976 5.505 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 1829068485 YUXTXZRFGNMAMZ-UIOOFZCWSA-N 466.666 5.303 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)CC1 1829180564 OOXNFAGVVUWFIV-UYAOXDASSA-N 464.437 5.390 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1830417597 DZVWFAHQNBMLPU-YKSBVNFPSA-N 488.072 5.182 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830535142 LCFXRXWQCPGAMQ-QFIPXVFZSA-N 466.519 5.271 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1 1830577940 DDGLPARNHWNXEC-CJAUYULYSA-N 481.999 5.653 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(F)CCCC=C3F)CC2)c(Cl)c1 1830723215 QUMLCYFQWBLWFF-PXDATVDWSA-N 475.967 5.191 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)s3)CC2)cc(C(F)(F)F)c1 1830754744 GOCVVDKYABXVPP-LJQANCHMSA-N 493.526 5.325 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1831369879 CTEQNHAXFICCLU-PGRDOPGGSA-N 450.545 5.080 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(OC)c2)CC1 1831466168 PUXIMASXYUBDOY-CJFMBICVSA-N 453.627 5.017 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831484072 ULWMZOXHGMFJSJ-KAKNBWJWSA-N 490.688 5.335 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1832030325 LQFPLFOFBVNWRP-VWLOTQADSA-N 466.025 5.315 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832031058 FAZXIZZTMHECDA-JOCHJYFZSA-N 466.519 5.271 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C(C)C)CCC3)CC2)cc1C#N 1832704867 WZVPQEXVECAKRT-VWLOTQADSA-N 479.665 5.405 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)CC2)c1 1832712325 AJHLPPXVWGGDPO-HSZRJFAPSA-N 487.497 5.263 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)CCC1 1832787591 BZUPFCAJKNCSOC-JOCHJYFZSA-N 488.459 5.339 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C2 1844357405 HQIIFRKJLPXKFC-QFIPXVFZSA-N 489.701 5.046 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccccc4)cc3)C2)c1Cl 1846876050 AURSXVNRDFSLNI-UHFFFAOYSA-N 455.945 5.009 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccc(F)cc1 10229739 LCMFJGZIDHWQDL-UHFFFAOYSA-N 470.879 5.673 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C#N)n1-c1ccc(Cl)cc1 10243157 CTQUMMHOXQYBHX-INIZCTEOSA-N 489.988 5.587 30 20 JKED O=C(/C(=C(/S)Nc1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 10759179 OKRPXQOGNPLWBH-UHFFFAOYSA-O 475.943 5.975 30 20 JKED CCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccccc3SCC#N)cc2)cc1 15319269 UAIWDDWHPXSYLG-UHFFFAOYSA-N 460.559 5.004 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(CC#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 17368424 FUCNDUQHKFKGNI-RBJSKKJNSA-N 483.568 5.201 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccncc1 21680993 VRMMCMIBYPGMBK-HXUWFJFHSA-N 468.586 5.065 30 20 JKED CC(C)Cn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2ccc(Cl)cc2c1=O 22054870 NCTMFIJAWQWLDH-INIZCTEOSA-N 487.000 5.272 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)cc1 22692836 FLDNGJDORNDNIT-UHFFFAOYSA-O 459.635 5.207 30 20 JKED Cc1ccc(-c2c(C)sc3[nH]c(CSc4nc(C)cc(C(F)(F)F)c4C#N)nc(=O)c23)cc1 25606720 WASAXLYWOIKYIM-UHFFFAOYSA-N 486.544 6.155 30 20 JKED CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 25731543 SXZZGPSOSCKJRN-UHFFFAOYSA-N 481.577 5.298 30 20 JKED CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1[N+](=O)[O-] 25841321 ODFXLZCVYLSZDP-UHFFFAOYSA-N 459.527 5.601 30 20 JKED N#Cc1cccc(NC(=O)CCSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)c1 26369519 MDOHKBHPNFQRCV-UHFFFAOYSA-N 457.534 5.125 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c1C 28793399 WBJZINSPJBFMPJ-UHFFFAOYSA-O 478.638 5.578 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)nnc1-c1ccc(F)cc1 29573833 BPOUPYRJGSRDDY-UHFFFAOYSA-N 495.363 5.094 30 20 JKED C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@H](C)c1ccc(C#N)cc1 31435494 PZWQBFNOPMNNEK-HZPDHXFCSA-N 474.611 5.022 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 72069533 VOSYLILZJGBTLP-UHFFFAOYSA-N 453.498 5.894 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 107876656 NTYNQSVEOAWWTB-XMMPIXPASA-N 499.958 6.018 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1F 195569734 PSHYGFCZGLJURO-ZDUSSCGKSA-N 465.381 5.547 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c2ccccc21 255932548 ZQRLSFOGSNHTEW-UHFFFAOYSA-N 478.581 5.232 30 20 JKED COc1cc(C(=O)/C=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1S(C)(=O)=O 302948631 CVVHEMQUBDTWSV-CMDGGOBGSA-N 467.490 5.137 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)s1 303049473 RHIJXOZZUQNYSA-UHFFFAOYSA-N 475.639 5.255 30 20 JKED C=CCN(C(=O)CSc1ccc(OCC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483176911 IDBKFTKJMXWYDD-UHFFFAOYSA-N 455.561 5.428 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 484625761 YXRUULPLHHHSPF-GOSISDBHSA-N 486.786 5.899 30 20 JKED N#CC1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)CC1 490064153 ZFABUFJXFPYKQM-UHFFFAOYSA-N 486.428 5.154 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)s2)cc1 498029747 UOFXIEHSNBCLTI-HXUWFJFHSA-N 483.594 5.054 30 20 JKED CCOCCOc1c(Cl)cccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 499292531 UIQATKJJUDWEOQ-UHFFFAOYSA-N 450.922 5.458 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)n2)cc1 499598386 CVHDNDGWKYFBQL-AWEZNQCLSA-N 487.894 5.862 30 20 JKED N#Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1Cl 500700597 VUKPEOZVMVFGKW-UHFFFAOYSA-N 466.777 5.305 30 20 JKED O=C(NCCc1cccc(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503107526 YQWLSRABAKKDIK-UHFFFAOYSA-N 480.771 5.070 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1 508277261 ZTFOPHJVBKPRON-UHFFFAOYSA-N 493.523 5.328 30 20 JKED CCOc1ccccc1N1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 509911504 MMVIOEQHJYYRMO-UHFFFAOYSA-N 470.573 5.084 30 20 JKED Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 510022456 DPXOBXWRNKBZHR-HSZRJFAPSA-N 474.992 6.023 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 511322419 MNGJBIPACTWMRV-UHFFFAOYSA-N 492.982 5.474 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2C(F)(F)F)c1 511563688 ONFXWYSLBYQEFS-UHFFFAOYSA-N 476.458 6.424 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3cnn(C(C)C)c3n2)c(C)s1 514326098 RXXZOCMDIIVKGT-UHFFFAOYSA-N 461.616 6.032 30 20 JKED Cc1nc2cc(F)ccc2cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 514578508 VZLXNMCQDZGOEC-UHFFFAOYSA-N 470.451 5.872 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2Cl)cc1 515710895 DQSVNYUWFNXVOW-UHFFFAOYSA-N 481.961 5.041 30 20 JKED C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(OCc2cccnc2)cc1 516614578 IAWKTCHGWZYUSO-NRFANRHFSA-N 463.537 5.602 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4nc5n(c(=O)c4c3C)CCCCC5)n2)cc1 516713593 AEYFRBFBNLMOES-KRWDZBQOSA-N 490.610 5.115 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCC1 517181902 PMYMTNQIZMMLKY-SANMLTNESA-N 453.542 5.042 30 20 JKED Cc1cc(-c2noc(CCC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)n2)ccc1F 517848289 MIWSKNHEXATLAP-XMMPIXPASA-N 470.504 5.077 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 518150883 HXXWLKRKMUKXLV-IQWFGDOHSA-N 482.049 6.004 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1cccc2ncccc12 519515829 XWRQAIACPBPTNA-JOCHJYFZSA-N 478.943 5.685 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1 519942077 KSFGATWOOVKOCN-UHFFFAOYSA-N 467.573 5.147 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 521090468 IAXPNCWIXHFTER-UHFFFAOYSA-N 458.518 5.020 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 521269559 CIIUIQSIOUZWSW-UHFFFAOYSA-N 490.482 5.176 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 521769081 NVJQATFQMPFZFK-QFIPXVFZSA-N 456.571 5.660 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(Oc4cccc(F)c4)nc3)c2)cc1 522870647 DYENJUYJPHSRIC-UHFFFAOYSA-N 482.515 5.980 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 524181456 FEVCRFMEHWMISD-DEOSSOPVSA-N 453.542 5.010 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)n(-c2ccccc2)c1C 590616821 VBSWCLMHAKURHO-QGZVFWFLSA-N 471.586 5.426 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603759101 UJECKNNIVHFGAS-HXUWFJFHSA-N 462.336 6.865 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] 603846368 ULQHXOGJOWJTKM-HNNXBMFYSA-N 458.490 5.968 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 604365108 PEYZXQQWCZUBDP-QFIPXVFZSA-N 450.542 6.552 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)cn2)cc1 608840400 ANEPLNOISGBMDU-IBGZPJMESA-N 484.491 5.346 30 20 JKED CC(=O)N[C@@H](CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)c1c(F)cccc1F 608935881 JCRSEBQXNGLGQK-QHCPKHFHSA-N 465.475 5.085 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 609061908 KAJYDKHYNMEUDJ-UHFFFAOYSA-N 459.596 6.120 30 20 JKED CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087334 ITBBNFHRAQCBQX-UHFFFAOYSA-N 482.367 5.431 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]2CCCC[C@@H]21 609377047 OUJQRACEXXGGAI-FUKQBSRTSA-N 477.630 5.359 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 609384797 ZZXCOOKNHIFTEU-APWZRJJASA-N 450.589 5.383 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1ccccc1 609403080 RIMPWISCXIQKHG-HXUWFJFHSA-N 475.614 6.190 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1OC(F)F 609436271 JYBKPPGXRVOXRR-OAQYLSRUSA-N 465.456 5.158 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319259 XLCTUFJBDHZSCO-INIZCTEOSA-N 498.416 6.921 30 20 JKED C=CCn1c(SCC(=O)N(C)c2cccc(C)c2C)nnc1-c1ccc(Cl)cc1Cl 615085156 QEVYEIKGMZODPR-UHFFFAOYSA-N 461.418 5.810 30 20 JKED O=C(CSc1cccc(C(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642158683 YMWDQZWEYGDKMJ-QWRGUYRKSA-N 453.370 5.823 30 20 JKED C=CCn1c(SCC(=O)N2CC=C(c3ccc(F)cc3)CC2)nnc1-c1ccc(Cl)cc1 676415788 BLLWCJKPOBLTTD-UHFFFAOYSA-N 468.985 5.332 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CC[C@@H](C)OC 726393390 ODCRAZUSJOYLAW-AUSIDOKSSA-N 467.635 5.251 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC)c(F)c2)c1 726412293 QZLBZZPOAQHVJE-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CC(F)(F)F)C1=O 726416214 SUMSYZXHCWRPHG-IBGZPJMESA-N 495.523 5.005 30 20 JKED C#Cc1cccc(NC(=S)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)c1 726439641 GHPPWOOYPRTLAR-HSZRJFAPSA-N 455.583 5.285 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(F)c(F)c1 726570571 GLNDZGVVNJERMO-UHFFFAOYSA-O 456.925 5.663 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1Cl 726572363 ZXOVLSKWIMNMMN-UHFFFAOYSA-O 481.428 6.355 30 20 JKED COc1ccc(N/C(S)=C(C(/O)=C2/N=C(C)C(C(C)=O)=C2C)\[n+]2ccc(C(C)(C)C)cc2)cc1F 726576443 UJVNACWCTLBOQJ-UHFFFAOYSA-O 496.628 5.737 30 20 JKED C=CCOc1ccc(C=C(C(=O)Nc2ccccc2OC)C(=O)Nc2ccccc2OC)cc1Cl 727264465 UDGZUJNKTAGYQP-UHFFFAOYSA-N 492.959 5.583 30 20 JKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)CC3)cc1 727780988 ZDSPUYTUWROKAV-ZROIWOOFSA-N 472.360 5.508 30 20 JKED N#C[C@@H](C(=O)CCCCc1ccc(I)cc1)c1nc2ccccc2n1C(F)F 727954600 SBBORTQBVDZAJS-INIZCTEOSA-N 493.295 5.625 30 20 JKED N#Cc1cccc(COc2ccc(NCc3nc(O)c4ccc(C(F)(F)F)cc4n3)cc2)c1 728053181 RGEMBPGTCYMJGV-UHFFFAOYSA-N 450.420 5.417 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)COc2cccc(NC(=O)c3ccco3)c2)c1 728248009 MIHDADJSRAEORR-UHFFFAOYSA-N 450.494 5.125 30 20 JKED Cc1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)n1-c1ccc(C#N)cc1 728267773 CKQVIAPBVOBNNP-UHFFFAOYSA-N 470.583 5.234 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cs1 728347298 QVVWDOWADUUTPK-DEOSSOPVSA-N 474.586 5.028 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3ccccc3)C2=O)cc1 728428485 ZOQNVXZUBNABQE-HSZRJFAPSA-N 499.983 5.244 30 20 JKED C#Cc1cccc(N(CC)C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 728480726 IKELWRCAWFNIHZ-QGZVFWFLSA-N 473.623 5.720 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c1C 728777263 JTUXIWYVLHIISS-NRFANRHFSA-N 452.555 5.097 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCCC#N 728780166 OOGXDUIXBKCXST-OAQYLSRUSA-N 452.555 5.042 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1=S 728911206 XOVPSUHDPQGZDO-UHFFFAOYSA-N 471.671 5.112 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@H](C)c1cccs1 729145662 MZUUFBSOMUANQV-HMKZZTTCSA-N 488.635 5.242 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(Cc2ncccc2C)C1=O 729631922 NBJSLYCTNNMSBR-HSZRJFAPSA-N 492.576 5.007 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccc(C)cc2)c1 729669421 WXLVRHKMNMPXNY-UHFFFAOYSA-O 487.557 5.505 30 20 JKED C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 730687933 YRDBTJOWXIXULI-IAQYHMDHSA-N 460.386 5.638 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 730944417 WLYGISHJGGPESW-KKSFZXQISA-N 496.539 5.405 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@@H](C)c2cccnc2)C1=O 730945823 YOPSHPFJOCVVCF-OYHNWAKOSA-N 496.539 5.090 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 731022899 RGAZKEFTQWEYDM-OAQYLSRUSA-N 479.646 5.618 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccnc1Sc1ccccc1 731061219 QSBFVHQCYGMBFJ-KRWDZBQOSA-N 463.584 5.423 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 731068606 HFMFFNQDCZIPTR-KBPBESRZSA-N 467.374 5.337 30 20 JKED Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731074835 SIJOGOFPEXBXQT-KRWDZBQOSA-N 453.589 5.345 30 20 JKED COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(F)c2)cc1 731076808 BGEQNEQGAQKEEV-KRWDZBQOSA-N 478.545 5.549 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(C)c2)c1 731309298 VNDYIIKVYYYVGW-QHCPKHFHSA-N 493.560 5.009 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1Cl 731315229 BAAAVIRWKPALFR-HXUWFJFHSA-N 497.001 5.139 30 20 JKED C#CCN(Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O)C1CCCCC1 744153855 MGSZZNLURJZYPB-UHFFFAOYSA-N 450.380 5.051 30 20 JKED Cc1cc(S[C@@H](C)C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)n2c(nc3ccccc32)c1C#N 746085122 FCIAAUGORJNHGD-CABCVRRESA-N 489.582 5.564 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCOC(C)(C)C)C1=O 746697895 PELSRLYDHLSBCB-HXUWFJFHSA-N 490.025 5.124 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)Nc2cc(C#N)ccc2OC)c1=S 747399747 ZQHGNBUOPCHFLG-UHFFFAOYSA-N 469.998 5.444 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2O)c1 748352326 BBOQREOGVDSURP-UHFFFAOYSA-N 491.396 5.010 30 20 JKED O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 748583521 FIZOSHPNQMANPJ-XNTDXEJSSA-N 480.480 5.300 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 749050096 ZLYQLDYCRSAIKE-HNNXBMFYSA-N 474.735 5.066 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N([C@@H](COCC(C)C)c2ccco2)C1=O 750911305 PFXBVHBZRNLAJY-ICSRJNTNSA-N 492.041 5.031 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc2ccccc12 799209641 AAKNUCACOLVQKE-HXUWFJFHSA-N 482.403 5.583 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C3CC3)CC2)c1C 837405237 RRGARLMDQNGIBB-DEOSSOPVSA-N 494.636 5.030 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3ccccn3)C2=O)c1 838267675 SOGNTWQVTKJNMH-YADARESESA-N 490.604 5.867 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1F 838584667 HZKMJVNMVQJNPT-LJQANCHMSA-N 493.507 5.465 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 900271474 WLOBZFAMHJELDW-SFHVURJKSA-N 477.586 5.434 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2ccc(Br)cc2)no1 904717885 SPIDFMORSHTIKN-UHFFFAOYSA-N 479.128 5.111 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1 915352501 JEBDBQCYVOIFLL-XMMPIXPASA-N 474.992 5.224 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 915644683 KMSWHJJVHPCVOK-IRLDBZIGSA-N 464.491 5.611 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 915656226 HPFVFORGGLBEQS-AHWVRZQESA-N 455.945 5.898 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)cc1 916051873 VIQZSHZIXQXUFH-MUUNZHRXSA-N 480.589 5.877 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(C[C@@H]2CCCO2)C1=O 916207260 DMYQYGRLWXLWHW-RDPSFJRHSA-N 495.645 5.232 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccco3)C2=O)c(OC)c1 916207606 HHQVNABXPQPDMU-HSZRJFAPSA-N 493.585 5.074 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC#N 916662601 KDSIZZMQSXVHKL-MFOYZWKCSA-N 451.356 5.310 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc2ccccc2n1 916849180 SQXINAUUHALFAE-ZWKOTPCHSA-N 452.341 5.270 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccc(SC(F)F)cc1 916886876 KZWPWUTWZDEBNW-SFHVURJKSA-N 458.461 5.681 30 20 JKED Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1C 916887160 MRZDKPKCFRSFIS-SFHVURJKSA-N 486.569 5.244 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1 916915803 PJTOUOWSBKXMBR-VWLOTQADSA-N 497.576 5.016 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 916924902 GKVRKEQLLFECME-YLZCUGDYSA-N 450.947 5.828 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916927210 GBGZGEJOSIRSKP-HNNXBMFYSA-N 464.761 5.660 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1OCc1ccccc1 916937336 CSDADERVBLGOBP-GOSISDBHSA-N 482.895 5.036 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 916948034 RDRWOTUYCGQYQK-BEFAXECRSA-N 479.989 6.128 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(OC)ccc(Br)c3[nH]2)cc1 916949083 LSBRXUNCHLWNKQ-GUYCJALGSA-N 468.351 5.414 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 917119495 ILJTXYVKUAVRJQ-QHCPKHFHSA-N 469.541 6.356 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ncnc3sc(C)c(C)c23)cs1 917536304 RKJAMONDEIALSH-UHFFFAOYSA-N 456.984 5.549 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 917662441 AQNOYPLEWVZVGN-UZUQRXQVSA-N 491.592 5.008 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)cc1 917684273 AFGWIMNKHLLUAF-DEOSSOPVSA-N 484.581 5.117 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)CCc3ccco3)C2=O)cc1 917704026 QMIRJZXOYMHDBT-YADARESESA-N 486.597 5.441 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2ccc(F)cc2)c1 917777828 JAYDGLPKLNFQBB-UHFFFAOYSA-N 488.968 5.146 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)N1c2ccccc2Sc2ccccc21 919252275 STLSLQUQJODWDS-IBGZPJMESA-N 474.586 5.107 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 920108188 BWOOOCWQBCDMAO-FOIQADDNSA-N 467.978 5.527 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111636 XLOKRVPDGRQZMS-INIZCTEOSA-N 462.333 5.252 30 20 JKED N#C[C@@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 920113140 BCJCOYOYIXJYCT-OMQIJLIKSA-N 464.606 5.675 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 920140431 HAFBCFVACGFIGC-FPOVZHCZSA-N 474.973 5.064 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 920144099 XROYZFUZUSKYIS-DEOSSOPVSA-N 466.562 6.325 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CC2)C1=O 920169751 HDKQZJTWNOXGMO-SFHVURJKSA-N 492.384 5.123 30 20 JKED COc1cc(C=NOCc2coc(-c3ccc(Br)cc3)n2)ccc1OC(F)F 920486368 ZJTQVYXWVFRGOJ-UHFFFAOYSA-N 453.239 5.265 30 20 JKED C[C@@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 920635558 ISSLXUZOWCBJIV-MRXNPFEDSA-N 470.441 5.013 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 920981896 CNLNIGNBYLICGO-HSZRJFAPSA-N 489.597 5.143 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2cc(Br)c3c(c2)OCCCO3)cc1 921265617 NLJVANGDOILGCT-WTKPLQERSA-N 459.340 5.036 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccccn2)cc1 935540538 JRTHSOTWNCPTOX-XMMPIXPASA-N 472.614 5.043 30 20 JKED N#Cc1cc(Br)ccc1CN(Cc1ccccc1F)c1ccc2nc(O)[nH]c2c1 1473229350 TYGIBTBTCICFMY-UHFFFAOYSA-N 451.299 5.249 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)cc1 1785797688 FEKJNSKXXMRWRU-MHZLTWQESA-N 463.528 5.371 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1786241866 JOPDRXBSNZPITE-XZOQPEGZSA-N 481.637 5.008 30 20 JKED CNc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1 1788002865 FVFQMTIWOZXVIF-IBGZPJMESA-N 452.558 5.417 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3COc4ccccc4O3)CCC2)cc1 1789449158 OIKJRHYCSDGBDI-PKTZIBPZSA-N 460.574 5.119 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3nnsc3C3CC3)CCC2)cc1 1789508902 VYAOKTRDERGYNA-UHFFFAOYSA-N 480.710 5.214 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3)cc2)CCC1 1790259052 CJPGYQGEJUQWEF-JOCHJYFZSA-N 481.568 5.043 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OCC)cc2)CCC1 1790691876 LWNDQFRUSDBXES-QGZVFWFLSA-N 456.970 5.078 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790707515 KQUIVTRHDPGWHB-UHFFFAOYSA-N 459.546 5.072 30 20 JKED COc1ccccc1CC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767843 QYVQOZLMQMRJDX-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc4cccc(Br)c4n3)cc2)CCC1 1790860571 GVYCTMJNSOXPFW-CQSZACIVSA-N 484.419 5.063 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)CCC2)c1 1791332348 CRBDFXNFAPSTKK-CQSZACIVSA-N 464.780 5.432 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CCC2)cc1 1791581126 WJZDGPJSLWPYMH-QHCPKHFHSA-N 483.653 5.254 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3ccc(Br)cc3c1)C2 1793052669 JCZKOMLFYSJOON-KOUNCHBCSA-N 482.422 5.018 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(Cl)c1)C2 1793052810 RUPDNPCYTVUOAO-BCDXTJNWSA-N 465.819 5.123 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)[C@H]1c1cccnc1 1803078354 ASCQTVMAIHIHEK-FTJBHMTQSA-N 459.634 5.125 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1 1805099593 VNYOQQDYUROHOK-UHFFFAOYSA-N 470.400 5.332 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC3(CCCN(C(=O)CCc4cccc(C#N)c4)C3)CC2)cc1 1805331782 XGIFLRAUGZVMOW-UHFFFAOYSA-N 471.645 5.088 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)Cc3ccc(CCCCC)cc3)CC2)C1 1806019085 KZHOKRUQXMHKFM-UHFFFAOYSA-N 468.682 5.176 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1806448737 OTKFRYNYEUUSPM-OTKQLONYSA-N 494.639 5.032 30 20 JKED Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(OC(C)C)c(C#N)c4)CC3)C2)c1 1806529413 NMPVEXDXXZZBSF-UHFFFAOYSA-N 487.644 5.132 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808155349 HXQHUDISEMOOME-LVXARBLLSA-N 491.035 5.613 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 1809183044 JTAUZNVCUDGDMQ-HXUWFJFHSA-N 479.448 5.372 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811723453 ZPVJWQWKADCYEN-BWKNWUBXSA-N 491.538 5.405 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[nH]n2)C1 1814392518 XMCPYBKOQJUHTL-GGAORHGYSA-N 455.002 5.461 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3C)[nH]n2)C1 1814393989 UIJPRPKCNYAZBH-HSZRJFAPSA-N 455.562 5.052 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(OC)cc2)[nH]n1 1814440382 SEHSEXYKFMIYIN-PGRDOPGGSA-N 452.599 5.207 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814830291 SPQUTJCSFGQCTR-FQEVSTJZSA-N 451.958 5.009 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)[nH]n1 1815216643 KQFFLFVRTZZLQH-CYFREDJKSA-N 490.604 5.004 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC)n[nH]1 1816775278 BIXLAPUQBUGCFZ-FPOVZHCZSA-N 491.677 5.456 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)nc4ccccc34)[nH]n2)CC1 1817109865 ROMUESCXLOBICL-RUZDIDTESA-N 490.567 5.235 30 20 JKED Cc1cscc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)[nH]n1 1818242682 VIQNSSUGSKGXQC-LJQANCHMSA-N 498.406 5.034 30 20 JKED Cc1ccc2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)ccc2n1 1818405083 NRTOZOZDXSEVHR-KSFYIVLOSA-N 495.608 5.166 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3ccc(OC)cc23)n[nH]1 1819056938 XSHJJHTVPXFUJU-JOCHJYFZSA-N 463.582 5.198 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3n2)n[nH]1 1819187415 QRCUSLMVUHRMSX-YCRPNKLZSA-N 496.409 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(NC(=O)CCC)c(C)c2)n[nH]1 1820174708 WFXNYGNCQSXUIM-ZJSXRUAMSA-N 491.636 5.531 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]n1 1822582581 NFIMOYGXTWYVFB-VWLOTQADSA-N 494.599 5.453 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)[nH]n1 1823422110 MMEJPVITKNMRDD-FQEVSTJZSA-N 479.378 5.045 30 20 JKED CC1(C)CCC(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(CC#N)cc4)sc3C2)CC1 1823495715 SSIFLBPAJNUOJK-HXUWFJFHSA-N 464.635 5.041 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4occc4n3-c3ccccc3)CC2)C1 1823702823 YEWJSUUEDPAFRB-DEOSSOPVSA-N 471.601 5.423 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1 1823901704 WKATVKNWOWWHRH-IQGLISFBSA-N 481.999 5.653 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 1824138267 XQEWJLKNUUCOJK-MVERNJQCSA-N 470.604 5.456 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1824542572 ZLLBENLDHCOPNB-DHIUTWEWSA-N 474.070 5.076 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1)c1ccc(F)cc1 1824544458 OPPGCQKUIXQQPP-KMDXXIMOSA-N 462.675 5.139 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824838895 BDFGZJDTXFXXRH-KJWVINOWSA-N 482.612 5.293 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccs3)CC2)cc1C#N 1825315542 NUGJARWOYVSQSU-VWLOTQADSA-N 493.673 5.273 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)CC1)c1ccccc1 1825367117 KOWWDOCHNASYCW-ISKFKSNPSA-N 496.026 5.305 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)CC2)C1 1827266233 MVZGYGKLWWSEKO-RUZDIDTESA-N 481.040 5.238 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CC1 1827328485 JHKVKINTZDDPRE-SFGWALBWSA-N 490.570 5.032 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1827492740 AYWWDOBIHQCPQW-OAQYLSRUSA-N 471.045 5.394 30 20 JKED CCc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc(C)n1 1827930497 QEWRPZFWIOUYDT-RUZDIDTESA-N 479.024 5.025 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991349 PINRSOZTZCNHKW-VWLOTQADSA-N 494.035 5.564 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828134050 UMRPPUNQLZLMKQ-QHCPKHFHSA-N 495.765 5.581 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)cc1 1828547396 RSEIBSBKLDEXIS-NRFANRHFSA-N 477.655 5.310 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 1828822035 DEANEYZIZFVDJI-UPVQGACJSA-N 476.583 5.636 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 1828827474 NNXIWJXOKBXLFD-FYYLOGMGSA-N 459.030 5.350 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2F)CC1 1828903866 IVWFSFHLDXQSDK-VWLOTQADSA-N 470.705 5.039 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nccc3occc23)CC1 1828904852 BOBLRTWSFHMYDM-HSZRJFAPSA-N 479.697 5.112 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2nc(C)sc2C)CC1)c1ccccc1 1829029486 BMWRUZBLUGGYRV-AHKZPQOWSA-N 491.701 5.119 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2coc(C(C)C)n2)CC1)c1ccccc1 1829030521 QGSXPTKIMGPZDN-RSXGOPAZSA-N 475.633 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](C)Oc2ccccc2)CC1 1829071336 UCBRKVSLMRFKTL-RCZVLFRGSA-N 454.655 5.456 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829569748 AZIGFXPNPRARNV-RUZDIDTESA-N 486.616 5.250 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(=O)OCC)c2F)CC1 1829644493 IJELEFQQGCWIML-ZJSXRUAMSA-N 484.612 5.004 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3F)CC2)cc1 1830632112 YMGRBEWVRQPKBR-XMMPIXPASA-N 499.533 5.040 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1830721057 VLJHDDQBJHDWJS-OAQYLSRUSA-N 489.925 5.176 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c(Cl)c1 1830722222 FQVBRKOERICQTJ-HSZRJFAPSA-N 488.390 5.551 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCCC3)CC2)cc(C(F)(F)F)c1 1830755000 LBOVPNUJYVAFFX-QFIPXVFZSA-N 461.528 5.001 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1830770450 XEPUJIGEDGIQLS-SANMLTNESA-N 482.584 5.069 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)ccc2[nH]1 1831033856 VMOYYXXPOAPVOJ-MUUNZHRXSA-N 482.628 5.214 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1831198667 FNOGVYWQSKIQIE-YUIIDABDSA-N 499.655 5.223 30 20 JKED CC(C)CN(CC(C)C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC#N)CC1)c1ccccc1 1831208045 JSPARHPXGICXNN-LMSSTIIKSA-N 494.724 5.265 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1)C(F)(F)F 1831451485 VMTPJONQXBTKMM-JOCHJYFZSA-N 493.570 5.085 30 20 JKED Cc1ccc(C2(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C4(C#N)CC4)CC3)CCCCC2)cc1 1832025541 LJVQJPXFVVLLHK-VWLOTQADSA-N 461.650 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)CC1 1832040574 ZYFIFYKRNOVSFY-JWQCQUIFSA-N 454.680 5.339 30 20 JKED CC(C)/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1832512969 WIGDTHIYDOPTLD-WMWRJIBUSA-N 461.528 5.023 30 20 JKED COc1ccc(F)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635884 XTFFSUQOIJDBCT-CLOONOSVSA-N 477.580 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)CC1 1836697576 MMPJURVSYBGKMC-DEOSSOPVSA-N 485.068 5.137 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1844201684 PLUVTSUGAMPVOC-VWLOTQADSA-N 465.597 5.487 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccsc1)C2 1845227153 RTWPRSLLAPIJFZ-NRFANRHFSA-N 491.698 5.209 30 20 JKED COc1cc(-c2nnc(SCc3cc(C#N)ccc3F)n2-c2ccccc2F)cc(OC)c1OC 11020284 UFOGWUNDYFJUMD-UHFFFAOYSA-N 494.523 5.402 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C#N)n1CCc1ccccc1 11069554 DTWXVYJYTJSCEB-IBGZPJMESA-N 483.597 5.187 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Br)c2)cc1 11084779 VOUHUAMFFPEFCQ-UHFFFAOYSA-O 491.381 5.132 30 20 JKED Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 16792760 OSCCTBWIPVAJJN-LJQANCHMSA-N 487.581 5.090 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nc2cc(Cl)ccc2c1=O 21831979 SLNNEBVFMFPSPT-KDOFPFPSSA-N 460.024 5.142 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)c1C 22729364 FJLHQQZOJOKVEV-UHFFFAOYSA-O 487.595 6.511 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1c(C)cc(C)cc1Cl 22732862 NYPFKGIMJOJIPH-UHFFFAOYSA-O 483.013 6.074 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccn2)c1 27652592 DCECPEFSVLEVKL-UHFFFAOYSA-N 495.910 5.387 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)c1nc(-c2ccccc2)cs1 59250294 XMAFWPNGDLBOAG-UHFFFAOYSA-N 471.630 6.328 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3COc3ccccc3)s2)cc1 104688572 QHNODPFTVPLJHU-UHFFFAOYSA-N 458.568 5.533 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)cc12 195556716 MYKDIZHUPJFEGS-KRWDZBQOSA-N 499.427 5.569 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)n1 218683676 QDAFHKRRYJJMGS-LURJTMIESA-N 455.330 5.095 30 20 JKED COc1ccc(COCc2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)cc1 302981920 FLJLKRKXEYRGII-UHFFFAOYSA-N 480.589 6.687 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)O[C@H](C)C2 409824807 ASBYVAWTQBVBSJ-YZXAJQSBSA-N 482.580 5.796 30 20 JKED CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 480374265 BIDXCKFWMJOJTP-UHFFFAOYSA-N 458.587 5.310 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 481131234 LPQJSXXWXVNLHG-UHFFFAOYSA-N 465.479 5.068 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)CC1 485820675 PWJYJHUCRJOIPE-UHFFFAOYSA-N 490.922 6.121 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 491132698 JEUPVAKDGQGSQZ-XMMPIXPASA-N 498.489 5.062 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)c2)cc1 501448489 HLOWCCKVTOTKNU-UHFFFAOYSA-N 481.577 5.575 30 20 JKED CC[C@H](C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1 504315915 YFDLBFGRUKCVND-ROUUACIJSA-N 451.571 5.483 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 505803418 SLTDPWPRAISKBK-UHFFFAOYSA-N 481.575 5.531 30 20 JKED N#Cc1c(NC(=O)CCN2CCC(c3nc4cc(Cl)ccc4o3)CC2)sc2c1CCC2 505838014 KWRCIYIJGQEDQW-UHFFFAOYSA-N 454.983 5.111 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(OCc4ccccc4)CC3)c2)c1 511455008 FQHLZAJQTDJZQC-UHFFFAOYSA-N 454.530 5.024 30 20 JKED CCN(Cc1ccc2ccccc2c1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 511475975 GTZMVRGVLSIZNL-UHFFFAOYSA-N 454.530 5.225 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 512322394 KNANEHQSLNILDG-RUZDIDTESA-N 477.967 5.334 30 20 JKED N#C[C@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc(C(F)(F)F)cn1 513180245 AMQMMVNWCJKTIL-KRWDZBQOSA-N 453.445 6.024 30 20 JKED Cc1cc(C)n(-c2ccc(CCNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)n1 514142713 VTQIYEQOCVNIJY-UHFFFAOYSA-N 481.575 5.454 30 20 JKED Cc1nc(COc2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2)no1 514907458 FKSSYAUZOUQCJR-MRXNPFEDSA-N 450.564 5.294 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)Cn3nccc3[N+](=O)[O-])c2C#N)C(C)(C)C1 515840899 YZIUULVQCMBAJZ-SNAWJCMRSA-N 479.587 5.511 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 517461374 WPIFTXIQFJIRPO-UHFFFAOYSA-N 479.911 6.591 30 20 JKED N#C[C@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1cccc(Cl)c1Cl 517492182 LKJJKNJMVGWUAQ-FQEVSTJZSA-N 472.397 6.011 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 517849814 KCXWPVMXKDWXOJ-QFIPXVFZSA-N 488.956 5.305 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC(F)(F)F 518129893 CYIGMRVGWVRGHW-AWEZNQCLSA-N 492.552 5.027 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)oc3ccccc23)s1 518730810 AGAZBQPNDHJFCG-UHFFFAOYSA-N 498.589 6.801 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1OCC(=O)Nc1ccccc1F 520972667 JRQLKVOMHIWAGI-UHFFFAOYSA-N 459.521 5.013 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 521259286 LJMBRCONCUTAKZ-IVZQSRNASA-N 469.010 5.572 30 20 JKED CCn1c(CNc2ccccc2SC[C@H](C)C#N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 521725414 CUKVYNPCFBTPBX-LJQANCHMSA-N 497.690 5.095 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)CC2)c1 522195940 ALULKJOMWKCSEK-UHFFFAOYSA-N 479.993 5.142 30 20 JKED N#C[C@@H](NC(=O)c1[nH]c2ccccc2c1Br)c1ccc(OCc2ccccc2)cc1 524333121 JPVMWLPELDPPTH-OAQYLSRUSA-N 460.331 5.504 30 20 JKED N#C[C@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc2cc(C(F)(F)F)ccc2s1 587988687 GBMXHPHKWGPKCZ-SNVBAGLBSA-N 465.428 6.207 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2nc3ccccc3n2C(F)F)cc1OC 589842314 LSSNALKPYINZEP-ZDUSSCGKSA-N 466.326 5.618 30 20 JKED C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603765502 WLLFQULNVIFPMV-PMACEKPBSA-N 484.556 5.166 30 20 JKED N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cn2)c1 603979741 SDAINSSRBSEZPO-UHFFFAOYSA-N 453.829 5.219 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)c2)c1 603995366 HTHCHHSRZKGRRJ-UHFFFAOYSA-N 472.957 5.769 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 604505886 WYHFCGIYHAZBME-XMMPIXPASA-N 496.380 5.407 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccs2)cc1 608809100 QPTMUXLPWHDHJL-UHFFFAOYSA-N 453.523 5.703 30 20 JKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 608864166 MECWSVHLRCPRAJ-UHFFFAOYSA-N 472.976 6.070 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](c4nc(-c5ccc(Cl)cc5)no4)C3)c2)cc1 609209974 YSYBNORFOMNQQM-HXUWFJFHSA-N 499.958 6.465 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(C)o2)C2CC2)nnc1-c1ccc(Cl)cc1Cl 612550033 ZEOXOFFJNUBIEU-UHFFFAOYSA-N 477.417 5.623 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1NC(=O)c1ccccc1F 613402995 AHCJIZQMHRPQJD-QGZVFWFLSA-N 497.473 6.505 30 20 JKED O=C(NCc1ccccc1OCC(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 615506259 UDWHWMDFTLBSNK-UHFFFAOYSA-N 456.314 5.152 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4nccc4-c4ccc(F)cc4)cc3)n2)cc1 619756501 GZRSQJGJJRDQGH-DEOSSOPVSA-N 489.535 6.164 30 20 JKED N#C[C@@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(O)c2c3c(sc2n1)CCCC3 622977772 XBINCUWLWIUYST-ZDUSSCGKSA-N 466.975 5.543 30 20 JKED Cc1ccccc1-n1ncc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1C(F)(F)F 642161569 OANRFMFMTYKAGC-VXGBXAGGSA-N 487.366 5.839 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281952 VTDWKOXMGQBIIJ-AZUAARDMSA-N 451.935 5.071 30 20 JKED O=C(NCc1cc(Br)ccc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642955017 ZRDQVJRSLZYBAB-NXEZZACHSA-N 465.207 5.297 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cccs2)cc1Cl 726408262 DJFYQPOAOOGWCY-NRFANRHFSA-N 495.029 5.111 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/[C@@H](C)c1cccs1 726421731 PCDOKLHTTLTSAN-LRPJYJENSA-N 466.415 5.078 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S/C1=N/[C@@H](C)c1cccs1 726421740 PEQXVYPADQYTQW-WYAUKPPCSA-N 451.564 5.072 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)c(F)c2)cc1 726571318 SGHNKOYTLVPKPS-UHFFFAOYSA-O 456.925 5.663 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C/c3csc(N(C(C)=O)c4cccc(Cl)c4)n3)SC2=S)c1 726627340 QGSRCKDJVAVYBE-NDENLUEZSA-N 496.038 5.868 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C#N)ccc3OC(C)C)c2)c1 726939234 QLBTTXNUNBEEJD-UHFFFAOYSA-N 463.559 5.015 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1OCC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 727957139 MESOWMRLFCSSGK-LBPRGKRZSA-N 468.403 5.285 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 728007091 ZGHQLHFTSVQSMS-UHFFFAOYSA-N 474.923 5.735 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 728120184 VRSBHMFWAZQLQE-UHFFFAOYSA-N 468.601 6.100 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 728185319 KFIBQLLFHSLKGG-UHFFFAOYSA-N 487.909 5.778 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728187029 PUWILCGKRIERLX-UHFFFAOYSA-N 492.913 5.874 30 20 JKED Cc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c(C)n1-c1ccc(C#N)cc1 728268084 VYMJINFBFZSGNU-UHFFFAOYSA-N 470.554 5.019 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 728429585 IWVGWPIGVQAWIS-TWZUHTLKSA-N 499.621 5.081 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1 728777878 AGEARUSLMGGCHW-NRFANRHFSA-N 470.545 5.181 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)cc1Cl 728778965 WSSDPZUZBCGGTO-QFIPXVFZSA-N 499.036 5.620 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728780404 SHOSYGZQTDIAPO-JOCHJYFZSA-N 499.036 5.565 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729146754 XOMGRKBNVUPHRY-FPOVZHCZSA-N 459.974 5.088 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 729827483 PZKMGTVDJZCCSV-UHFFFAOYSA-N 498.789 6.937 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=S)Nc2ccccc2C#N)C1 730438797 RMOYZNDHTRFNKX-NRFANRHFSA-N 450.608 5.157 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3ccc(OC)cc3)cs1)O[C@H](C)C2 730691311 IWDXIDYLRZAWSQ-MBKCZMESSA-N 474.582 5.521 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2C)c(C)s1 730708995 LUFQAYFFBPOQIC-OXQOHEQNSA-N 479.631 5.185 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H]2CCc3c(Cl)cccc32)c1 730711955 JQAOOQRRDOPYRH-NHCUHLMSSA-N 492.004 5.086 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944272 VFOMFHRJSBIOCJ-MBSDFSHPSA-N 474.586 5.202 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccnc1Sc1ccccc1 731060979 OCTAJHYIOIVMSX-QGZVFWFLSA-N 463.584 5.280 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cc(F)ccc1F 731310955 TWACJZGRDRGAMQ-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)c1 743526258 USWSDFJSQMWLRA-DEOSSOPVSA-N 490.604 5.615 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)cs1 745626266 LPIWRQCUDAUSJI-SDNWHVSQSA-N 476.989 6.180 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 746416347 LEIIXOFDMUZHMR-JOCHJYFZSA-N 481.508 5.423 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCOC(C)(C)C 746697933 PZSXVVDZBYJWBV-OAQYLSRUSA-N 471.598 5.164 30 20 JKED COc1ccc(OCc2nn(CN(C)C[C@H](C)C#N)c(=S)n2-c2ccc(C)c(Cl)c2)cc1 746706681 OYXAFBUQEBFLHM-MRXNPFEDSA-N 472.014 5.002 30 20 JKED N#CCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)c1 751090153 YLQJOQRYNGJSRM-MZBJOSPHSA-N 453.542 5.154 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(C3CCN(C4CC4)CC3)C2=O)cc1 837709866 UBBHTIYCTPQMOO-QHCPKHFHSA-N 497.064 5.236 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2cccc(CO)c2)C=C1 912822594 IOZXQRFGBRYTFB-UHFFFAOYSA-O 497.040 5.240 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccc(OC(C)C)cc2)C1=O 914538690 UQMGTJMZGKOTOH-IBGZPJMESA-N 493.601 5.056 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)Cc1ccco1 914690235 OBLQHYPZQQZRDW-AOMKIAJQSA-N 481.549 5.019 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)cc2)c(C)s1 914694453 KHQLAIKAXLOQNX-ORAYPTAESA-N 462.040 5.380 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CC2CCC2)cc1 915111808 OYRJAXHBKBEGGE-QHCPKHFHSA-N 479.602 5.048 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCc3ccc(C)o3)C2=O)cc1 915116753 NYZZDMBHHMCDGG-QHCPKHFHSA-N 493.560 5.133 30 20 JKED Cc1ccc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1NC(=O)c1ccccc1F 915514099 DONHAHVDZJBCKF-UHFFFAOYSA-N 483.499 5.295 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)s2)cs1 915750898 GKLFIOGAJQPRRY-QFIPXVFZSA-N 486.622 5.133 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 915860340 SHABSVIFVPIRJV-UHFFFAOYSA-N 458.518 5.582 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)c1 916206373 QQFRLQOCJKAHOP-QFIPXVFZSA-N 495.004 5.213 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)c1 916207590 ZGZZZEYRYSUMGZ-FQEVSTJZSA-N 469.950 5.102 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c1C 916207878 NUUVKTFWRCEPKR-HSZRJFAPSA-N 494.567 5.180 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(Cl)cc1Cl 916214136 KZCUIGLRGNOSDY-SFHVURJKSA-N 466.390 5.372 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 916310986 URBXNUQYEQNSDL-UHFFFAOYSA-N 456.483 5.484 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1 916679435 OPBLIVGIMXRIAI-PKTZIBPZSA-N 497.473 5.667 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 916904239 YWSQRKNKEQUACX-AREMUKBSSA-N 493.607 6.248 30 20 JKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 916907230 XDMKYDQQUISSPG-SFHVURJKSA-N 464.905 5.501 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1Cl 916938284 LSEDWDWPTZYKHR-FQEVSTJZSA-N 457.917 5.313 30 20 JKED N#C[C@H](C(=O)C1(c2cccc(Br)c2)CCCC1)c1nc2ccccc2n1C(F)F 917041208 QWGQAHUNWHAXIA-MRXNPFEDSA-N 458.306 5.882 30 20 JKED COc1ccc(NC(=O)[C@@H](OC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)cc1Cl 917262400 WTTSVMFGRNVDKQ-DEOSSOPVSA-N 480.973 5.377 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(Oc3ccccc3)cc2)cs1 917564144 YBVHGBZTEMLQRY-ATVHPVEESA-N 454.551 6.825 30 20 JKED CC(C)CN(CCC#N)Cn1c(=S)oc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc21 919944481 FWZPEOZQKRAFQY-UHFFFAOYSA-N 479.027 5.247 30 20 JKED COCCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc21 920109559 QYAKRSZXPFBOTP-OAQYLSRUSA-N 453.498 5.041 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)cc1 920111062 IOUJZNPNCOAFIW-XMMPIXPASA-N 497.551 5.141 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccccc4Cl)o3)n2)cc1 920142549 LAONKPJWEICVHC-SFHVURJKSA-N 463.946 5.936 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2C)no1 920353339 HLSQPOMPZOQWSC-FQEVSTJZSA-N 468.966 5.105 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNc1ccccc1S(=O)(=O)NC(C)(C)C 920377914 JBMAHMMMLFLSBE-UHFFFAOYSA-N 494.448 5.069 30 20 JKED COc1ccc(OCc2nc(/C=C3/SC(=S)N(c4ccccc4C#N)C3=O)cs2)cc1 920471776 DYZJPXWKFTWLQR-VXLYETTFSA-N 465.581 5.008 30 20 JKED N#CC1(C(=O)OCC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)CCCCC1 920673418 NENUVHFKUXHIBN-UHFFFAOYSA-N 477.561 5.500 30 20 JKED C[C@H](COCC(F)(F)F)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 921254908 UIFPESWPPZCOGW-RDTXWAMCSA-N 499.942 5.268 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3ccc(F)cc3)n2)c1 926764462 LCKDLEYCXLCVSC-KRWDZBQOSA-N 451.523 5.058 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)CCC2)cc1 1785936769 GLAPSZGKKKEECW-UHFFFAOYSA-N 461.953 5.028 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1786240615 CWTJBSALXABETM-XQBPLPMBSA-N 469.626 5.026 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(F)nc4)cc3)CCC2)c1Cl 1786816177 IPQWYDHYHUVBJP-UHFFFAOYSA-N 476.939 5.126 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cnnc(Cl)c3)cc2)CCC1)c1ccccc1 1786972604 DOAAQBCHTIRVMV-HSZRJFAPSA-N 472.976 5.075 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3csnc3C)cc2)CCC1 1787192568 CFDSRNHUIRHHPV-NRFANRHFSA-N 498.649 5.059 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3Cc3ccc(F)cc3)CCC2)cc1 1787889371 FRKCHKVWNBFHRG-UHFFFAOYSA-N 469.560 5.397 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cn5cc(Cl)ccc5n4)cc3)CCC2)cc1 1788932970 CEAIWWUUWOTGNU-UHFFFAOYSA-N 497.986 5.240 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(C(C)=O)cc3)CCC2)cc1 1789449407 PZKQQYNRIVDIIV-MHZLTWQESA-N 488.628 5.951 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1789494480 SPOQSMUXOSIVKO-JOCHJYFZSA-N 475.614 5.131 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(C)on3)cc2)CCC1)c1ccc(O)cc1 1789574317 WJUSTUPFRQSRSQ-OWSFEGEDSA-N 483.568 5.033 30 20 JKED CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790766748 ASTVWSOVZRXQFD-UHFFFAOYSA-N 476.964 5.522 30 20 JKED CCOc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)cc(C#N)c4)CCC3)cc2)c1O 1790769706 GEFWJTZKYWDSAI-UHFFFAOYSA-N 469.541 5.033 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1N(C)C 1792125352 WFDIGCCZORCRJS-FQEVSTJZSA-N 496.611 5.450 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)cc(Br)c4)cc3)CCC2)CC1 1792179584 ZQKGLPDOAGWTSI-UHFFFAOYSA-N 472.770 5.154 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C(F)(F)CC=C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206884 UOOQLBMBPBAMLK-HXUWFJFHSA-N 491.579 5.191 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCc1ccccc1)C2 1800228945 UDMLDUDTAMUTJS-URBBEOKESA-N 469.670 5.399 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Br)c1CC 1800637998 XLFTVBUHKCWTKO-AJYBTWMASA-N 459.428 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2F)[C@@H]1c1cccnc1 1802777227 BSUOYTKUVXQFAP-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[C@@H]2c2cccnc2)C1 1803224895 MZTMDXVRRYWAAF-TUSQITKMSA-N 466.025 5.147 30 20 JKED O=C(/C=C/C(=O)N1CCC2(CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C2)CC1)c1cccs1 1804746119 PLRDFXPNNOLZBS-VOTSOKGWSA-N 496.032 5.167 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(OC)ccc3o2)[C@@H]1c1cccnc1 1809718942 IJRAZQIDINDHSG-CPJSRVTESA-N 475.589 5.148 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810171866 HRQFKFPGGBBUQQ-ZVXPMLRVSA-N 469.676 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810174630 OFPBAODSCZXLLK-ZJGIAAPESA-N 495.623 5.962 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1810177464 GPHKQYALPYVVIE-JRVJPUFPSA-N 482.628 5.359 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(F)c(F)c3)CC2)[C@@H]1c1cccnc1 1810504574 GFSWJQKEDOSLQN-GBXCKJPGSA-N 481.587 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2F)[C@H]1c1cccnc1 1811401546 GFHVBLWVWPNIQW-HYBUGGRVSA-N 462.569 5.014 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1Cl 1811418244 SOCUEMVQPJIEHG-GBXCKJPGSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811439150 OKXQDPXDWXOQSV-WWPJHQMMSA-N 497.614 5.976 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c(Cl)c1 1811744433 ATELTYKKSCREBK-XMSQKQJNSA-N 490.972 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1811865539 KISBWSLCTCHSLL-IGKIAQTJSA-N 488.676 5.384 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1812792301 AUACGCBZEXNWSB-IBVSPSLBSA-N 493.051 5.389 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)[C@@H]1c1cccnc1 1813055907 BBJYVOFYQCQBAH-ABYGYWHVSA-N 476.580 5.193 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)[nH]n1 1814442599 PBEGGIHQQPKKDU-QGZVFWFLSA-N 466.504 5.628 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CC3)n[nH]2)c1 1814471107 OSPBPZXVDSRYGP-YADARESESA-N 467.573 5.074 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1815214930 ZINBIXVWCHPXGC-KDOFPFPSSA-N 472.998 5.175 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)c1 1815244088 XCBNQGAJBOQJHR-XUZZJYLKSA-N 477.634 5.040 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815587884 PZYJDQXZZLZVSD-AOYPEHQESA-N 489.664 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C(F)(F)F)cn2)n[nH]1 1815905492 DNSWRMOPVZNGFZ-FQEVSTJZSA-N 491.558 5.441 30 20 JKED CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)[nH]n1)c1ccccc1 1816741202 ANVCPSLFHSVTFZ-UPVQGACJSA-N 455.562 5.090 30 20 JKED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[nH]n1 1816748164 XWKBWBBYYJRRIL-OAQYLSRUSA-N 487.526 5.696 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ncoc3c2)n[nH]1)c1ccccc1 1818748956 SCMNIWXSLIYIEU-QPPBQGQZSA-N 481.556 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)[nH]n1 1819307386 GIXGLOXXKFQVJB-AFESJLNVSA-N 489.664 5.225 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)[nH]n1 1819308009 SJKDPVDZPZPBRH-CRAIPNDOSA-N 495.933 5.551 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)[nH]n2)cc1 1820548328 ATLSBFYKWMMPSJ-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1 1820910479 ISQKSGNOSYDGAJ-LPOPLRKUSA-N 499.656 5.008 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)n[nH]1 1821007848 ZGTFKCAXQVMGBW-RDGATRHJSA-N 477.515 5.217 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccc(Cl)c(F)c1 1821040394 YGDTZCSHBGEANX-BLGFXRMMSA-N 486.956 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2Cl)N(C)C)n[nH]1 1821764944 ZZGFQXLOPRETKV-FYYLOGMGSA-N 486.060 5.351 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1821923148 GSIGSUNWOWEHCP-JXFKEZNVSA-N 458.990 5.368 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1821924252 YYWSRIZTGUKLMI-CTNGQTDRSA-N 474.646 5.296 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1)C(F)(F)F 1821992739 HCVWWXUVVHWGEK-LLVKDONJSA-N 467.300 5.202 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 1822342208 OZWPCIHVGVJUIN-QUCCMNQESA-N 494.583 5.107 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)Cc3ccccc3)[nH]n2)c1 1823216191 PVPWPTURQOHORV-UMEGOILYSA-N 469.589 5.221 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccccc3Br)CC2)C1 1823704760 RZGSGVNNMRNLLR-ZUTVHTERSA-N 471.439 5.048 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(OC)c23)CC1 1823752978 ACVOWNAPKHNZKF-QHCPKHFHSA-N 465.638 5.402 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(NC(C)=O)c2)CC1 1823753737 ZHOZGOXFUMALBX-RUZDIDTESA-N 467.654 5.179 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1 1823898264 DHDJBTQPHHSESG-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccccc2C#N)CC1)c1ccc(Cl)cc1 1823975156 KBSAZSXHXBCSKE-NBGIEHNGSA-N 494.035 5.014 30 20 JKED O=C(c1[nH]c2ccoc2c1-c1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824411385 NXIDLJAJKFHGSG-DEOSSOPVSA-N 469.585 5.075 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1825164354 JRUWBGPSONTMMO-FQRUVTKNSA-N 477.674 5.550 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)CC1 1827904650 RZSPXRKJWIGCBI-ICSRJNTNSA-N 461.672 5.080 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1828456876 YSPFHXCENLZAGB-CDCCBSOTSA-N 458.687 5.195 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c1 1829446679 XLFMWWNGKNZOEA-HTAPYJJXSA-N 470.038 5.576 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)cc(OC)c2F)CC1 1829653997 SEBXEVUYKDILKC-QFIPXVFZSA-N 474.617 5.069 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1 1830061934 IIMWAPRCYCKYNQ-JWQCQUIFSA-N 497.680 5.088 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)ccc1F 1830360577 KYTNKOJRDUGRLC-NRFANRHFSA-N 495.645 5.450 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830451827 HJMSIWVXJLEFQG-AHWVRZQESA-N 465.544 5.032 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)cc1 1830628974 QUIPUOHBSKEQQI-RUZDIDTESA-N 455.558 5.046 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Br)c2CC)CC1 1830686524 HCJOALBECQXIPW-QFIPXVFZSA-N 493.511 5.164 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1831480620 KQKIBGJLZYZJTJ-DNZIZEQUSA-N 470.774 5.484 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)CC1 1831719240 HNBMVKZPEYLFFQ-WZPMNBOYSA-N 468.613 5.236 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1 1831790612 JUKSYGOPRBEVFX-SZHXJAFASA-N 469.629 5.351 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1831857346 GQBPCXNFAJVFCB-GBXCKJPGSA-N 483.653 5.333 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832635079 STPBYYDCUNBLOE-AMGIVPHBSA-N 457.618 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2F)CC1 1832639044 HCFBEVLQHHMXOP-OAQYLSRUSA-N 450.545 5.330 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CCC1 1832785097 GZSUNHTWZKAUIJ-FQEVSTJZSA-N 481.946 5.286 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)c1Cl 1844735633 NZNLFBCKHMYMIA-UHFFFAOYSA-N 484.943 5.084 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc3c(c2)CCCC3)c(C)s1 10179992 LBPNIBWZSGLTEW-UHFFFAOYSA-O 479.647 5.353 30 20 JKED C[C@@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C(=O)Nc1cccc(C#N)c1 12744084 KSWQXZDNBMUJSZ-GOSISDBHSA-N 473.627 5.164 30 20 JKED N#Cc1ccccc1CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 18547004 BCVVBVXBKSOHJL-UHFFFAOYSA-N 456.962 5.483 30 20 JKED C=CCn1c(SCC(=O)N(CC)Cc2ccc(Cl)s2)nnc1-c1ccc(Cl)cc1 18972564 YFWRSYHYLOXSTN-UHFFFAOYSA-N 467.447 5.640 30 20 JKED N#Cc1ccc(-n2c(SCc3nc(-c4ccc(Cl)cc4)no3)nc3ccccc3c2=O)cc1 22019544 VWFMLEFPJCNXQT-UHFFFAOYSA-N 471.929 5.253 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(C)c2)cc1 22732792 ZONZUXXQIKKJES-UHFFFAOYSA-O 454.015 6.002 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(CC#N)c3ccccc3)n2C2CCCCC2)cc1 23422161 RUHLNMPVZWNUDZ-UHFFFAOYSA-N 461.591 5.108 30 20 JKED C[C@@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(C#N)cc1 26115598 VKIPKSOVELXIAA-OAHLLOKOSA-N 488.396 5.086 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2cccc(Br)c2)no1 30969594 GXOSYBUKBFIOHO-UHFFFAOYSA-N 468.380 5.160 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Br)cc2Cl)cc1 108377743 VJRDQXBYYCHDGT-UHFFFAOYSA-N 455.739 6.000 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 110123356 AKGKIAPOSYKQGS-UHFFFAOYSA-N 492.373 5.503 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(C(=O)c2ccccc2)CC1 195636130 BZUBQOFDEOJRBU-UHFFFAOYSA-N 454.530 5.039 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 195640053 VYXIBNAFDZNQIP-UHFFFAOYSA-N 457.917 6.201 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)cc1 255325958 PESMOPFMUPZSJW-HSZRJFAPSA-N 494.567 5.644 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)CC1 303196278 GLVGMAMXCMNPBR-UHFFFAOYSA-N 480.515 5.272 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCN(Cc2ccccc2)CC1 303230934 XSOAXSIHMKWFHS-UHFFFAOYSA-N 454.574 5.186 30 20 JKED C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 479812933 QFQXFCMTXVAKJW-UHFFFAOYSA-N 495.605 5.345 30 20 JKED N#Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1OCC(F)(F)F 481944000 JVTFTMIHRIWGMR-UHFFFAOYSA-N 499.411 5.009 30 20 JKED C=CCN(C(=O)c1cc(CC)c(CCC)s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491051062 NLZUAULBEUDISO-UHFFFAOYSA-N 474.673 5.623 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 499381391 ZUPPNCZXLDRDAY-MRXNPFEDSA-N 471.627 5.038 30 20 JKED CSc1cccc(N2C[C@H](C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2=O)c1 501421494 MUSBUQHEULWKHP-OAQYLSRUSA-N 471.582 5.045 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1 502631056 CZZMIFPYLHIMMU-HNNXBMFYSA-N 462.363 5.337 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)c2)c1 503355706 PINDQLOGOYEBMA-UHFFFAOYSA-N 495.560 5.037 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)o1 505325843 KFIOMZOCOYSTIY-OAQYLSRUSA-N 454.486 5.148 30 20 JKED N#Cc1ccc(SCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 509653077 ZIIRCMLLWQYHIL-UHFFFAOYSA-N 455.461 5.560 30 20 JKED C=CCN(C(=O)c1sc(Cc2ccc(F)cc2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512168624 CFRCYMYGVVNFEY-UHFFFAOYSA-N 494.573 6.046 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1 512600342 TYKLYGOPIIDMAJ-UHFFFAOYSA-N 484.943 5.645 30 20 JKED C[C@H](Sc1nnc(C[C@@H](C)c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 513337243 FMFYPAMPFPWFNU-CVEARBPZSA-N 466.632 5.737 30 20 JKED CCc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1-c1ccc(F)cc1 515578156 JXBPCBXJCDLVGG-UHFFFAOYSA-N 454.505 5.471 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1cccc(C(F)(F)F)c1)[C@H](C)C1CC1 515707052 JBRRFULFOFVBGB-OAHLLOKOSA-N 455.484 5.001 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)C(=O)Nc4ccc(Oc5ncccc5C#N)cc4C)CC3)c[nH]c2c1 516042283 DMAKUCYEEIVXNN-UHFFFAOYSA-N 491.551 5.098 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)c(Cl)c3)cc(-c3ccc4c(c3)OCCO4)nc21 516069650 AAXKIDSCWGWOSN-UHFFFAOYSA-N 473.920 5.228 30 20 JKED CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 519180768 FDMCTSMNAGMQAT-FQEVSTJZSA-N 485.462 5.273 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C(F)(F)F 521316689 BSOLWFQUTKYBSE-UHFFFAOYSA-N 462.431 6.116 30 20 JKED CN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521743062 ZNOJCPSTBFZIAE-UHFFFAOYSA-N 473.879 5.101 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 521756076 YYTURSGYESCOQF-UHFFFAOYSA-N 480.659 5.065 30 20 JKED COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OCc1ccncc1 521787675 ZFUWQRRTBQTCAT-NRFANRHFSA-N 472.589 5.470 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c(C#N)c(C)c1C 524490028 JWLSCGPESPSVLD-UHFFFAOYSA-N 462.025 5.265 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 603530329 MDXAAOJCDDBQLF-UHFFFAOYSA-N 485.613 5.235 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)COCc3nc4ccccc4s3)s2)c(C(F)(F)F)c1 603672488 IXHLMZBQJQOTSU-UHFFFAOYSA-N 488.516 5.389 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 604396921 UHACCRCUKWRDBO-HTAPYJJXSA-N 499.011 5.165 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 608840962 HCWZDRYQPZTDEQ-HXUWFJFHSA-N 483.503 5.951 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 608995603 TYMFTUNQLYLPBL-INIZCTEOSA-N 498.992 5.137 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 609078255 HJRBTHNMDADEJZ-UHFFFAOYSA-N 478.543 5.320 30 20 JKED Cc1sc2nc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)nc(O)c2c1C 609164834 XNMWCDLXDWHCAN-LJQANCHMSA-N 476.989 5.894 30 20 JKED C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)NC1CCN(CC#N)CC1 609340354 QPUVJYIBBRYUAE-DYESRHJHSA-N 461.997 5.027 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 609381755 WMVXNLDIALDSRG-UHFFFAOYSA-N 495.324 5.912 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613405341 ZHJFTSUFJXRZPS-HNNXBMFYSA-N 491.491 6.288 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2ccc(Cl)c(Cl)c2)n(Cc2ccco2)c1C 725980590 MVXGWBMKXGSLRK-UHFFFAOYSA-N 474.344 5.039 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2ccccc2Cl)cn1 726110441 GGKAVWJFVXIJAO-QFIPXVFZSA-N 496.036 5.068 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406695 LUMVEGXFXMSJBO-AOMKIAJQSA-N 489.988 5.328 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)c(Cl)c1 726892608 VWHWTNBXXNHXMK-JOCHJYFZSA-N 498.004 5.109 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 726940603 YZBJCPMCYHXHKQ-UHFFFAOYSA-N 452.308 5.163 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 728120141 VGSHMLZZMLATFQ-HXUWFJFHSA-N 468.557 5.455 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 728687946 QSSDLTKTTQSCSK-UPVQGACJSA-N 475.390 5.505 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 728777638 LWFVINRPAHHABX-IBGZPJMESA-N 458.946 5.133 30 20 JKED Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 729216712 MEVCHDBAMFGUAX-UHFFFAOYSA-N 458.495 5.572 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/[C@H](C)c1cccs1 729632988 UMWXKKJECYCSFO-VXXYOONBSA-N 482.606 5.181 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)cc1F 729634666 QIZSHFLABAGKRK-QFIPXVFZSA-N 480.540 5.137 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)cc1 729794918 ZZDACZIWOJEUKF-RPBOFIJWSA-N 457.961 5.592 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3CC)N(Cc3ccccn3)C2=O)cc1 730525201 JWYSIPUNUOPWDG-DEOSSOPVSA-N 488.613 5.203 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730942805 XLPQXRTVMFJRMZ-NZQKXSOJSA-N 472.614 5.098 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1 730997393 UQOGBUYZSQCPEH-UHFFFAOYSA-N 499.319 5.517 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 731078292 OEWKQXTWDHLMHM-CQSZACIVSA-N 489.384 5.226 30 20 JKED CC(C)c1nc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccccc1Cl 731078507 PJMKHYRZWJFFOA-INIZCTEOSA-N 498.008 5.234 30 20 JKED CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 742351493 ILLYTMVEYDDSKL-UHFFFAOYSA-N 463.578 5.307 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)c4ccnc(F)c4)c3C#N)C(C)(C)C2)o1 743189213 SGARTNVIGFHNFI-FNORWQNLSA-N 491.544 5.629 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 744916953 UOLPGEDYKUCCSQ-RUZDIDTESA-N 462.553 5.168 30 20 JKED C=CCc1cc([C@@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)Nc2ccccc2)cc(OC)c1O 747138488 DVYURXZZJSZLEX-DEOSSOPVSA-N 489.597 5.370 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCCCOCc2ccccc2)C1=O 747602765 NVRHFALSWBFZNR-HXUWFJFHSA-N 494.444 5.058 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 837438704 NIJOITJTAMWGAA-HXOBKFHXSA-N 494.567 5.698 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1ccccn1 838219905 VDBKEMGNANQOSU-MWTRTKDXSA-N 494.567 5.644 30 20 JKED N#Cc1ccccc1COc1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1 856580822 YBNWZZUTXQIYHI-JOCHJYFZSA-N 456.546 5.083 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)c2)c1 912771728 BXYMILBQIKJVTP-HSZRJFAPSA-N 477.561 5.303 30 20 JKED COc1ccc(N=Cc2cc3ccccc3nc2O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 912775456 GNXZYOAYJQNRHA-UHFFFAOYSA-N 467.934 5.154 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2cccc(Br)c2)s1 914599603 JRMMZQMMAJUGOX-UHFFFAOYSA-N 471.405 5.616 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)/C(=C\c1ccc(F)cc1)c1cccs1 914744216 QQKQEMPKJAHLJU-UZHQXZFTSA-N 465.434 6.454 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1 915102427 SKJWVESIQSXTPX-SFHVURJKSA-N 469.526 5.023 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103907 HNHQCINKELNYMQ-MJGOQNOKSA-N 455.461 5.456 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 915180287 NGSRBZNAYNKLRG-CQSZACIVSA-N 451.140 6.603 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)CC2 915352982 PWOZVKMLXZHNEO-RUZDIDTESA-N 455.558 5.730 30 20 JKED C[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccccc1Br 915513838 PUATVQWQHJMTJL-MRXNPFEDSA-N 479.330 5.084 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)cc1 916214553 OKRULCWLQAOGMT-IBGZPJMESA-N 479.524 5.474 30 20 JKED COc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc(Cl)c1O 916273141 TXEXVAOSTZXGQA-UHFFFAOYSA-N 460.342 5.337 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1sc(Nc2ccccc2)nc1Cl 916283524 FSBHJTDCIARSDT-UHFFFAOYSA-N 477.889 5.232 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 916914077 UYNWATAHPAOHCI-JOCHJYFZSA-N 490.357 5.225 30 20 JKED C[C@@H]1Oc2ccccc2N(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O 916996414 MDTVTZOVVXVGOR-BBRMVZONSA-N 486.380 5.497 30 20 JKED C#CCN(Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S)[C@H]1CCc2ccccc21 917457502 VCODDTKEVQHPFV-VWLOTQADSA-N 451.599 5.105 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(OC(F)(F)F)cc2)cs1 917560542 QIBUKOOEOQUSLG-IZZDOVSWSA-N 466.868 6.276 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@@H](C)c2ccccc2)cc1 917609608 JRRUEFJJLRHTBM-FQEVSTJZSA-O 488.677 5.895 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2F)n1 917663403 BNWKZQMXUKNPSZ-XMMPIXPASA-N 499.571 5.238 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccc(C#N)cc2)cc1 917682111 FCQDFDGJUGXYFX-HSZRJFAPSA-N 490.535 5.305 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CC1(c2ccccc2)CC1 917704722 XVCJSCGLQAGDIJ-DEOSSOPVSA-N 480.593 5.250 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(Cl)cc1Cl 920109819 JJUDZEVVTVGGNP-LLVKDONJSA-N 470.790 5.722 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1 920197954 LFFDXZFLJFCRQX-BJKOFHAPSA-N 457.961 5.168 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC1CCC1 920926996 CFVZATJXMZKQGE-FQEVSTJZSA-N 491.535 5.474 30 20 JKED COC(=O)CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 920982956 IWGJHMRXOLYUKB-HSZRJFAPSA-N 495.645 5.224 30 20 JKED Cc1ccccc1-n1c(-c2cccnc2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 921188618 ANLDKRODESUCNT-UHFFFAOYSA-N 494.546 5.667 30 20 JKED O=C(NCc1ccc2oc(O)nc2c1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1673090866 NDXRYMBMPIETOY-UHFFFAOYSA-N 451.298 5.145 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C2)C1 1785234166 SEOKEMAUUOYYGH-JOCHJYFZSA-N 473.828 5.083 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](c4ccccc4Cl)N(C)C)CCC3)cc2)C1 1785810221 FCASWNGISLDTNR-HSZRJFAPSA-N 451.998 5.043 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)CCC1 1787110679 VXHHYRPMSKOYTD-UHFFFAOYSA-N 492.620 5.313 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1787888903 MSTIHCDPZGNUSV-UHFFFAOYSA-N 452.514 5.479 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)C(C)(C)NCCC#N)cc3)CCC2)CC1 1788031705 MPJKMLPFXKPWBX-MEMLXQNLSA-N 452.643 5.009 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3csc4c3CCCC4)cc2)CCC1 1789266356 NGXXRKHNXOJGCN-JFLMPSFJSA-N 461.587 5.087 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)CCC2)cc1 1789624126 KZIBOZQSFKKWPW-FQEVSTJZSA-N 493.673 5.223 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(F)F)cc3F)cc2)CCC1 1790061659 KVDLKVBBLAFNPR-UHFFFAOYSA-N 476.495 5.158 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)c1Cl 1790710332 FWJGZCKJXJATEU-UHFFFAOYSA-N 496.954 5.928 30 20 JKED Cc1ccoc1C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1 1790745183 GTNOYUAQVLQXEW-UHFFFAOYSA-N 478.346 5.284 30 20 JKED C[C@H](Sc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1 1790834601 LYYZWKJJIVYEDO-SFHVURJKSA-N 495.608 5.363 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CCC1 1791187563 MAHSTDOKSRVRLV-KRWDZBQOSA-N 475.511 5.183 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4c3cnn4C)CCC2)cc1 1791249403 SJZRGNPLHSNHJB-MRXNPFEDSA-N 495.421 5.296 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(Cl)cccc3OC)cc2)CCC1 1792145007 ZYLIDFZYVAXNSS-UHFFFAOYSA-N 456.970 5.079 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCN(C)C(=O)OC(C)(C)C)cc2)CCC1 1792334575 BBEYMJRGYAEQON-HSZRJFAPSA-N 483.653 5.536 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 1798206490 DBCDZYBJEOZNOC-BCDXTJNWSA-N 494.945 5.027 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3cc(Br)cnc13)C2 1798338038 OPAQEWIOTFZRPD-PLACYPQZSA-N 482.422 5.018 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1 1800665949 PEVRCQIZKGSGBH-BKFWDETESA-N 478.658 5.214 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(C#N)cc3Cl)cc2n1 1800689243 UBCNUIWXSZWMMV-REPLKXPHSA-N 493.394 5.287 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(-c4ccccc4)cn4ccccc24)C3)c1 1800765223 GHRWKOUWZKKEEO-OOSCYNTBSA-N 488.591 5.352 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800811405 ZDFNLHRHWSTNNO-NUNAXRQHSA-N 486.637 5.803 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1 1802958927 WNWSXJXXQYQULL-PXJZQJOASA-N 480.612 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1809756357 RISDQLQLJZURJZ-XMSQKQJNSA-N 467.660 5.670 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1810174042 LBXWTVYPODVRCI-QFZWGZQFSA-N 482.024 5.222 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(C)c2F)[C@H]1c1cccnc1)c1ccccc1 1810441711 WIXCJYPZDOSQJU-QQNWGBJXSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)s2)[C@@H]1c1cccnc1 1810494787 HCDWMBHPRNHYGM-XUZZJYLKSA-N 453.652 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[C@H]1c1cccnc1 1810502288 HGRHJBUEMUQZAT-ZKMPZPQNSA-N 497.083 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1813830047 HIMJWOYOFDVMAL-NZQKXSOJSA-N 454.014 5.355 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCC(F)(F)C2)n[nH]1)c1ccccc1 1814388222 BWEREURINSGPTF-URVUXULASA-N 468.548 5.034 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c1 1814618881 HSDCZYWUXQCZCW-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(C(C)=O)cc2)n[nH]1 1814959384 BTYHSDZXJQNTEW-NOZRDPDXSA-N 492.620 5.232 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)c1 1815244082 XCBNQGAJBOQJHR-QPPBQGQZSA-N 477.634 5.040 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCCC2)[nH]n1 1815462536 CDNNUXDXASCUHF-AGOBFMAKSA-N 499.656 5.008 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4cccc(F)c4)CC3)n[nH]2)c1Cl 1815617315 UQUYCAQCIUOYLC-NRFANRHFSA-N 491.954 5.112 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817678359 SFJIHCHEDFZBSY-GOSISDBHSA-N 486.041 5.971 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1818290392 HAMZVWKHDXKNGT-IBGZPJMESA-N 485.466 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(OC)cc2F)n[nH]1 1818925666 SNDNTODBAOUKDK-QFIPXVFZSA-N 470.589 5.175 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3s2)n[nH]1 1819075865 YUCYJNYSCHJXPU-ABAIWWIYSA-N 493.452 5.011 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)[nH]n1 1819302315 DDJLYGMPDXXZHR-UKILVPOCSA-N 492.620 5.232 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)[nH]n1 1819305942 RRABQDHVWBQLCO-LAUBAEHRSA-N 463.607 5.402 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)[nH]n1 1819556016 OSZCFUHSRPSOSH-HXUWFJFHSA-N 463.582 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)[nH]n1 1819556757 LYNQDPSXVYHGJZ-LJQANCHMSA-N 458.990 5.370 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3nc2Cl)n[nH]1 1820159583 NQOXCAHFEXWUFY-RNODOKPDSA-N 487.938 5.408 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1Cl 1821028001 RYHXWFOJIANSGI-QFIPXVFZSA-N 491.979 5.342 30 20 JKED CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC#N)[nH]n2)cc1 1821242781 NEGKEBCZLXMOBS-XXBNENTESA-N 493.608 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)c1 1821326047 HDJPIJPUEDZOJB-XMMPIXPASA-N 453.546 5.087 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)ccc(Br)c2C)n[nH]1 1821334037 ZTTTVRXVGCSMFK-MRXNPFEDSA-N 499.331 5.137 30 20 JKED Cc1ccc([C@@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)cc1 1822059893 PDKPNDGFNLDADI-NLFFAJNJSA-N 469.589 5.018 30 20 JKED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2c4ccccc4n4ccsc24)CC3)cc1 1822166577 AMPBYJYINRFTGG-QGZVFWFLSA-N 497.605 5.022 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1)c1ccc(O)cc1 1822710434 ZXWIYNRCWBHBHG-NOXFTYBFSA-N 490.629 5.170 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823648052 CRDODIRKVDFNCY-WMZHIEFXSA-N 479.646 5.321 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824139238 HRMSYUWHBGZMHT-XMMPIXPASA-N 489.701 5.070 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1824502313 GKGOXFBIYWVASP-XMMPIXPASA-N 491.072 5.343 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@H](S)C(C)C)CC3)c[nH]c2c1 1824543368 ACDZOUIICVGYFE-UTVSTPLMSA-N 467.679 5.064 30 20 JKED O=C(c1ccc(-c2cccnc2)cc1)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826525625 QRSYBCFPVNTXNM-GDLZYMKVSA-N 477.608 5.034 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C#Cc4ccc(Cl)cc4)CC3)cc2n1 1827274156 HVJCTDXIMPYQOX-XMMPIXPASA-N 490.003 5.075 30 20 JKED C=CCCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cnccc4c3)CC2)c(O)n1 1828201526 XYYSSSNCEOOIPR-HHHXNRCGSA-N 498.627 5.001 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cc(C)[nH]c34)CC2)c1 1828214331 JIXHMGLJESIBAF-SANMLTNESA-N 468.601 5.204 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828357738 ZGQBIUUHKUGYQT-OXXZUKKGSA-N 485.559 5.390 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828420906 DNFLNPDQCSBMBW-DHLKQENFSA-N 498.706 5.575 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)CC1 1828831011 SXSYAEIFGPSARK-FCEKVYKBSA-N 479.709 5.458 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C)c3ncccc23)CC1)c1ccccc1 1829031721 DGJVXUZGIHJYBG-LBNVMWSVSA-N 496.655 5.004 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cccnc3n2)CC1)c1ccccc1 1829032251 LDBQLOSNKYQFNO-XCZPVHLTSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(OCC(C)C)c2)CC1 1829066802 UDXQKZPWVHCGEH-DEOSSOPVSA-N 469.670 5.342 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1829068041 BAGKMODGSREJSL-UODIDJSMSA-N 466.666 5.411 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1829068797 QYVSYZJMPAGWAC-QHCPKHFHSA-N 483.603 5.739 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1829289078 BGLSJXDOSMKPIB-AREMUKBSSA-N 482.584 5.069 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)c1Cl 1829693119 VGUDTVFCNFUMOO-XMMPIXPASA-N 492.019 5.084 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(Br)cc2C)CC1 1829785437 SRNSOEONRGBWOC-IBGZPJMESA-N 479.484 5.246 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(Br)cc2C)CC1)C(F)(F)F 1829785473 UXGFEZLBMLNZTI-HNNXBMFYSA-N 493.389 5.171 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Br)c3F)CC2)c1 1830502654 DOYVIBITCJIOHW-QFIPXVFZSA-N 498.396 5.007 30 20 JKED O=C(c1ccncc1F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601884 KUANYOBQFVGASH-GDLZYMKVSA-N 495.598 5.168 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720824 ILNVYPFIBSWQJH-DEOSSOPVSA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c(Cl)c1 1830721178 BKRRFOJEBNAZHN-NRFANRHFSA-N 482.005 5.566 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1831445682 RYFGLAAQYYWODV-NBGIEHNGSA-N 488.619 5.021 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)c1 1831565630 IEFSWTWKEHMJQZ-DPPGTGKWSA-N 479.665 5.263 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1831843012 TYBBKACCWAWTPA-YKSBVNFPSA-N 475.658 5.158 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1832031872 YFYSRLMLJNXANY-FQEVSTJZSA-N 450.957 5.045 30 20 JKED Cc1ccc(OCCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832630058 XWFJAUCCJFIVPE-NEKDWFFYSA-N 487.644 5.325 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 1832631673 GUBMCVRPJLWCFY-ZTOMLWHTSA-N 479.624 6.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3O)CC2)c1 1832634170 PBBXNRUJWFRHOZ-KBMIEXCESA-N 485.584 5.313 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1)C(F)(F)F 1832706525 LBVLOXDIFYHUHN-GOSISDBHSA-N 480.424 5.196 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c(Cl)cc2C)CC1 1832826853 DXJJRGZDRDKEFF-OAQYLSRUSA-N 479.846 5.058 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(-c4ccccc4)cc13)C2 1844253125 WQEHXGUBSKLMQU-UHFFFAOYSA-N 498.703 5.098 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1 10170358 ZWNRTUQQLIRWDV-UHFFFAOYSA-O 458.006 6.269 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccccc2C(F)(F)F)[n+]2ccc(N(C)C)cc2)c(C)n1C 11157197 FPBPEBOVSYQKIR-UHFFFAOYSA-O 475.560 5.065 30 20 JKED N#CCC[C@@H](C#N)CSc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 15237489 WRNOUBJWAPLJDG-AWEZNQCLSA-N 461.900 6.142 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nnc1-c1ccc(OC)cc1 23635108 XZXSJEDMYGGLIH-UHFFFAOYSA-N 477.615 5.573 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCc3sccc3C2)nnc1-c1ccc(Br)cc1 24015588 FDNMAZGFQHXZSB-CQSZACIVSA-N 489.464 5.021 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1NC(=O)c1ccco1 59799225 SGHBMTRIMFNYNX-UHFFFAOYSA-N 465.509 5.738 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1Br 71944222 KTSQWQRUIUFZIQ-OAHLLOKOSA-N 463.335 5.456 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc3nc(Cl)ccc3c2)n(Cc2ccc(F)cc2)c1C 107662060 XFNTULLSOCKQFR-UHFFFAOYSA-N 490.922 5.161 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)C(C)(C)c2ccccc21 215643723 ZDPMQBBKPFBFFS-FYJGNVAPSA-N 450.633 5.238 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c1 499913693 JYMIJAVMZUWZLO-UHFFFAOYSA-N 496.548 5.387 30 20 JKED COc1ccc(Oc2cc(CNC(=O)c3ccccc3Sc3ccccc3C#N)ccn2)cc1 501899082 LZXHOPBUWGSAPU-UHFFFAOYSA-N 467.550 5.835 30 20 JKED COc1cc(C(=O)N(CCC#N)Cc2ccco2)ccc1OCc1ccc(Br)cc1 502554248 KGTNGTJOYCEVDJ-UHFFFAOYSA-N 469.335 5.186 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc2cc(Cl)ccc2s1 502691020 YJHHWRMAVJCISF-LJQANCHMSA-N 480.014 6.463 30 20 JKED Cc1cc(=O)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)nn1-c1cccc(C(F)(F)F)c1 502820257 VTQAPPFWIGVRAP-UHFFFAOYSA-N 472.492 5.014 30 20 JKED C=CCN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 503098705 BZWVTBWRHOIBGH-ZEQRLZLVSA-N 488.634 5.690 30 20 JKED C=CCN(C(=O)CSc1nc(C)cc(N)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 504877193 UXHYMKXNMXXBPI-UHFFFAOYSA-N 466.419 5.109 30 20 JKED CC(C)CCN(CCC#N)C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 505207700 UJZKCIIBQLAHSX-UHFFFAOYSA-N 456.384 5.032 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)c1C#N 506520715 FJYBUGLMKBDALH-UHFFFAOYSA-N 460.603 5.693 30 20 JKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC(F)F 512330757 XOMCOEOZCVMOBA-UHFFFAOYSA-N 485.418 5.058 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 513865963 MHIYSNVIUCHPSM-SANMLTNESA-N 459.521 5.489 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)n(-c2ccc(F)cc2)c1C 514889679 XWMCECAYMIVPKI-MRXNPFEDSA-N 489.576 5.565 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 515158685 IDOQAYBKPQWYPW-UHFFFAOYSA-N 457.505 5.278 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)c2)c1 515925835 TYHLJTSPRMHPNO-UHFFFAOYSA-N 470.916 5.690 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCC(=O)N3CCCC3)n2)cc1 516713901 MMPCFTDZPZCRLE-HXUWFJFHSA-N 477.611 5.023 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cccc(Cl)c2Cl)c1 517312265 HEYHVEKHHBEMIH-UHFFFAOYSA-N 470.381 5.526 30 20 JKED CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)c[nH]c12 518751478 VHHRIAFPVBAKKG-SFHVURJKSA-N 474.630 5.469 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)CC2)c1 519137579 BQHIPLVGXYGKBJ-UHFFFAOYSA-N 468.582 5.410 30 20 JKED Cc1[nH]c2ccc(CNC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2c1C 519942208 IFRLMCDWQKQIDP-UHFFFAOYSA-N 468.582 5.317 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)Cc1ccc(C#N)cc1 520451682 GRTGIXAORGHBQB-UHFFFAOYSA-N 466.463 5.802 30 20 JKED COc1ccc([C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2nccn2C)cc1 520598586 TUYWHKFUWPNOCN-DEOSSOPVSA-N 453.502 5.004 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 521079662 DEYYUZFBFHDEOH-HHHXNRCGSA-N 455.558 5.257 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@]34CCC(=O)N3c3cc(Cl)ccc3S4)c2)cc1 521278156 KGPJVWLXFULVIZ-AREMUKBSSA-N 489.984 5.553 30 20 JKED COc1ccc(Cn2ncc3cc(C(=O)Nc4ccccc4S[C@@H](C)CC#N)cnc32)c(OC)c1 521327012 MAXMAKDGQRCDJS-KRWDZBQOSA-N 487.585 5.143 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 524563304 JVQXRSMWVHFIEG-UHFFFAOYSA-N 475.945 5.413 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 524565166 KDXLBIZWDKUPBL-IBGZPJMESA-N 458.562 6.183 30 20 JKED Cn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(-c2ccccc2Cl)n1 553481253 LADCORQNCXTPAB-HXUWFJFHSA-N 461.352 6.302 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)n2CC(C)C)cc1 589938309 LPNBPXSJOICGEV-UHFFFAOYSA-N 469.998 5.256 30 20 JKED CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 591678210 CJJIMHUTOXKFNU-UHFFFAOYSA-N 478.773 5.276 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(NC(=O)c2ccccc2)c1 603689950 VBAUKKBAFPKQTR-LJQANCHMSA-N 477.524 5.881 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)cc1 603706189 MQYRHEYAUTYURN-HOYKHHGWSA-N 459.615 5.907 30 20 JKED Cc1sc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c(C#N)c1C 603776278 QBPMBCUTMBJILQ-UHFFFAOYSA-N 454.349 5.504 30 20 JKED N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 603983569 GMBJSBZRCHVDJT-GOSISDBHSA-N 452.370 5.863 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 604003164 GWKQUXIVDJDCFF-XMMPIXPASA-N 467.569 5.131 30 20 JKED C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 604047771 SYRBSHNRKGHPLT-CQSZACIVSA-N 459.855 6.462 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(C)c2cccc(C#N)c2)s1 604440347 PHNUSDMSFBIJGB-UHFFFAOYSA-N 454.555 5.639 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccnc(Sc3ccccn3)c2)cc1 608853711 WAZVHUOBAJLQEG-UHFFFAOYSA-N 454.580 6.044 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCN(c4ccccc4C#N)CC3)cc2Cl)c1 609079937 OPFSEDJGHXCMEV-UHFFFAOYSA-N 471.948 5.016 30 20 JKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cc3ccccc3n2CC#N)c1 609215658 HVUZGYRLZFPCOD-HXUWFJFHSA-N 450.542 5.527 30 20 JKED CN(C)CCCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 609339665 NOJIUCXFLMSYAD-UHFFFAOYSA-N 460.553 5.262 30 20 JKED COc1ccc(C)cc1-n1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)n1 609378531 NJNXRXUJRTVBHV-UHFFFAOYSA-N 460.481 5.466 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 609400330 YRLXKNGSJVKGPQ-SBUREZEXSA-N 463.990 5.436 30 20 JKED CC1(C)CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)[C@H]1c1ccccc1 609403226 FSXDEGWZNYEVBD-IBGZPJMESA-N 461.509 5.259 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N 609437015 KNGPDUOXNXUEGA-HNAYVOBHSA-N 474.424 6.221 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 612805716 NJOKRENJMGWCBM-FICVDOATSA-N 476.383 6.289 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618540466 QFMRTVTUEZWRSD-RYUDHWBXSA-N 474.327 5.486 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 642156986 DKSLBAJGIOPDLV-GJZGRUSLSA-N 475.395 6.543 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cc3ccccc3[nH]2)c1 726411961 KYQCEDUFHRKGFC-RUZDIDTESA-N 496.567 5.449 30 20 JKED COc1ccccc1/C(O)=C(/C(=S)N=C1C=CC(=C(N)O)C=C1)[n+]1ccc(Cc2ccccc2)cc1 726569512 BVMQFTLOHKESMM-UHFFFAOYSA-O 496.612 5.080 30 20 JKED CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccc21 727994713 FCYPBRLMSIJKOE-UHFFFAOYSA-N 459.502 5.280 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)cc1 728411892 OIBRRMVYRLGVNK-GUYCJALGSA-N 470.360 5.357 30 20 JKED Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)sc2c1 729188501 OHJKPLCOLYJRAE-SFHVURJKSA-N 460.942 6.617 30 20 JKED Cc1ccc(-n2c(-c3ccncc3)nn(CN3CCC(Oc4cccc(C#N)c4)CC3)c2=S)cc1C 729466859 CNEXHVNNJBCDHA-UHFFFAOYSA-N 496.640 5.455 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cnn(CC)c1 729632555 RJRRYCXEEYHGEX-SFHVURJKSA-N 496.464 5.606 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)cc1 730685681 BCSSSZFVUMFPPZ-CMIZEVDMSA-N 460.574 5.202 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cocn2)cc1 730716005 NQCSRXHJGQUUKA-QHCPKHFHSA-N 492.601 5.186 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(CC)c3)N(Cc3cocn3)C2=O)cc1 730719087 WTCSUCSLCUUHBD-QHCPKHFHSA-N 492.601 5.186 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1cccnc1 730942928 ZLIDWLBZUAMTSN-HTAPYJJXSA-N 494.567 5.698 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 730953555 JPSBUCVOUAGFGW-IBGZPJMESA-N 488.638 6.316 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730994309 JLLALQPCCGUXFP-LBPRGKRZSA-N 482.343 5.713 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c1 731309433 SHUXKEONFIVLNN-UZUQRXQVSA-N 474.586 5.071 30 20 JKED CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 746948204 ZAEWWIHTXCPTRK-KBPBESRZSA-N 464.372 6.146 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCOC1CCCC1 747044721 WRGGAUNJGDDSAM-QHCPKHFHSA-N 499.608 5.144 30 20 JKED CCc1nc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)nn1-c1c(Cl)cccc1Cl 749044465 KGWDSRCRPMRWGQ-CQSZACIVSA-N 466.328 5.132 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](C)c2ccccn2)C1=O 837517549 KNXMJYBHBOTFGM-VGOFRKELSA-N 479.005 5.765 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3ccccn3)C2=O)c1 837826527 LNTAJAYQWANHCQ-MBSDFSHPSA-N 493.032 6.073 30 20 JKED O=[N+]([O-])c1cc(C=Nn2c(S)nnc2COc2ccc(F)cc2)ccc1Oc1ccc(F)cc1 839415852 TYRKRNSAVHEAQJ-UHFFFAOYSA-N 483.456 5.007 30 20 JKED CCOC(=O)C(=O)C1=C(c2cccnc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccc2ccccc2c1 840197478 FQXLTUZDZNXIOJ-DEOSSOPVSA-N 497.576 5.106 30 20 JKED CC(C)N1CC[C@H](C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)[C@@H](c2cnn(C)c2)C1 849599903 DJQUASONBDZCJW-BJKOFHAPSA-N 494.064 5.549 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)c(F)c2)c(C)s1 914690573 ZMQFULDKUYAWHL-XOBRGWDASA-N 459.612 5.174 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1ccc(-c2nc3ccccc3s2)cc1Cl 914837905 ADMRHXRBCLKWIW-UHFFFAOYSA-N 464.978 5.882 30 20 JKED N#C[C@@H](C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 915101880 NUCHMMRTIKGWLJ-IBGZPJMESA-N 482.970 5.520 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 915350206 LPQZVCRVYKTWJP-DEOSSOPVSA-N 468.557 5.233 30 20 JKED CCOc1ccc([C@H](CNC(=S)Nc2ccccc2C#N)c2c[nH]c3ccccc23)cc1OC 915996242 LSQUOMJKWIDUFX-NRFANRHFSA-N 470.598 5.565 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=O 916209885 UHILZDXDBQKWRJ-QFIPXVFZSA-N 481.524 5.134 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Br 916930609 DQYJKUJIYNFGNR-ZDUSSCGKSA-N 470.150 5.045 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 916954135 FVASYQABUCKCAH-XDHUDOTRSA-N 471.557 5.090 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 916955175 MYGPHLNFLPXJMQ-OPAMFIHVSA-N 463.628 6.219 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 917026339 FFOCMWGUBMCMDF-INIZCTEOSA-N 482.359 5.098 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(Br)ccc1F)c1nc2cc(C(F)(F)F)ccc2s1 917043790 OPGZCPAWTOXAOM-RBVVKQATSA-N 469.257 6.106 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044853 VLBQSBFWOOULAP-AAEUAGOBSA-N 463.868 5.198 30 20 JKED CC(C)Oc1cccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)c(Cl)c2)c1 917671370 WNFBMFKFKDHJBD-OAQYLSRUSA-N 490.000 5.067 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccsc3)C2=O)c([N+](=O)[O-])c1 917675231 HTUYKFVLPFUWMX-HXUWFJFHSA-N 480.571 5.125 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1F 917677758 KIADPFBMJADDTA-IBGZPJMESA-N 475.517 5.326 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917678867 QHPVOBSKEAQICR-ZLNRFVROSA-N 497.064 5.236 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccc2OC(F)(F)F)C1=O 917702479 VUTSUADBDFZMDY-FQEVSTJZSA-N 487.503 5.006 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 918544001 AMXKUFBFINYAMR-QRPHSONGSA-N 489.041 5.302 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 919250952 FLOHJTMEJISADI-HXUWFJFHSA-N 490.007 5.702 30 20 JKED C[C@H](OC(=O)c1ccc(Cl)c2cccnc12)C(=O)Nc1sc2c(c1C#N)CCCCC2 919260409 JVPHOCFRDCVMEU-ZDUSSCGKSA-N 453.951 5.274 30 20 JKED CCOc1ccc([C@@H](CNC(=O)c2ccccc2OCC#N)c2c[nH]c3ccccc23)cc1OC 919808068 PTSHKDDHGLCZRT-JOCHJYFZSA-N 469.541 5.039 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2OCC)c1 920016465 ADKODEOEVYHMFS-UHFFFAOYSA-N 495.988 5.244 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(Cl)c1OCCC(C)C 920101475 AZXRHDSGQSPPKN-GOSISDBHSA-N 452.938 5.769 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143451 ZWLBDWKJBIWBCQ-GOSISDBHSA-N 494.370 5.292 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)n1 920326977 MPLFKWOSNVRWGB-XLIONFOSSA-N 485.359 5.079 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cc(C)on3)C2=O)cc1 920353196 CRKQEVPXYKWGRZ-QFIPXVFZSA-N 496.564 5.071 30 20 JKED C[C@@H](/N=C/c1cc(Br)cc(Br)c1O)c1ccc(N2CCOC2=O)cc1 920941922 ZUTGISTVLUMBDP-OHBSIKEHSA-N 468.145 5.054 30 20 JKED CCOc1cc(C#N)ccc1OC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 1317711000 UWZZDCSHVBPTKJ-UHFFFAOYSA-N 477.567 5.173 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)C1 1782158271 PFGOYULYVFINMI-NDEPHWFRSA-N 482.571 5.068 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H](C)CCCN4C(=O)OC(C)(C)C)CCC3)cc2)C1 1785807966 YOIZDYKJDOQUGX-XXBNENTESA-N 481.637 5.122 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3F)CCC2)cc1 1786679485 KVXPCBHKMDYKQT-UHFFFAOYSA-N 468.594 5.281 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cn3)cc2)CCC1 1786873450 GNDDQUBFVHZUDR-UHFFFAOYSA-N 477.552 5.086 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)c(C#N)c1 1788724497 GULURSXRSCBIHT-UHFFFAOYSA-N 497.473 5.169 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4csc(-c5ccccc5)n4)cc3)CCC2)CCC1 1788835432 LGLDRPBTLUGCJK-UHFFFAOYSA-N 456.571 5.252 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4[nH]ncc34)cc2)CCC1 1789341990 STQHXHTWCXAOAH-OAHLLOKOSA-N 481.394 5.285 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc4cncn4c3)CCC2)cc1)c1ccccc1 1789600585 OHUKVBCADPGSHB-HHHXNRCGSA-N 476.580 5.279 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CCC1 1789905146 NXQTUKWAFPKERF-UHFFFAOYSA-N 481.401 5.312 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4)CCC3)cc2)c1 1790072991 ZDJWKWUIYDKDOW-MDWZMJQESA-N 451.526 5.028 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4C(F)(F)F)CCC3)cc2)c1 1790074085 BLTGMNDXGWQOJO-UHFFFAOYSA-N 494.473 5.042 30 20 JKED COc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c1 1790081868 WUJKBVCGVXJJAA-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)CCC1 1790228553 ULJFJBPXTSRYBJ-NRFANRHFSA-N 468.553 5.265 30 20 JKED COc1ccc2[nH]cc(/C=C/C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CCC5)CCC4)cc3)c2c1 1790564031 PTIQMPKHNQNPCP-NYYWCZLTSA-N 468.557 5.018 30 20 JKED Cc1nc2ccc(F)cn2c1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1790880422 JZTCXBZSMQHBGH-UHFFFAOYSA-N 495.558 5.034 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(C(F)(F)F)nc4ccc(F)cn34)CCC2)cc1 1791253837 IMSDCRPYGBEWFO-OAHLLOKOSA-N 488.485 5.452 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)CCC1 1791399709 YVQPJTFQITZDMF-OFNKIYASSA-N 495.664 5.370 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CCC2)cc1 1791593016 ABXUFNFUZZYGCF-UHFFFAOYSA-N 450.542 5.554 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccnc3S)CCC2)cc1)c1ccc(O)cc1 1791646723 PHZWKVKNGBBIRH-HXUWFJFHSA-N 485.609 5.021 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3nc4ccc(Cl)cn4c3C)CCC2)cc1 1791730810 XANDWEPSHDHCDC-UHFFFAOYSA-N 462.981 5.237 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792209553 HOYMJGMQVJMKDY-DNQXCXABSA-N 495.664 5.398 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(C#N)cc1)C2)c1ccc(Cl)cc1 1801550609 JDRMPOKFKSUSCU-SPGPFUFCSA-N 478.036 5.222 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)s2)[C@H]1c1cccnc1 1802492276 PRRHYJPNOBOSAB-URXFXBBRSA-N 453.652 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CSc2ccc(F)cc2F)[C@H]1c1cccnc1 1803484722 ATQLGXDQBQVQGG-YADARESESA-N 487.616 5.150 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 1805051789 GGKDVVQQLTXZSA-UHFFFAOYSA-N 456.801 5.041 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)C4(c5cccc(Cl)c5)CC4)CC3)C2)c1 1805328112 AOJLHGLYDCGHGO-UHFFFAOYSA-N 490.047 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@@H]1c1cccnc1 1806451405 XJAHJDWNMLXDPK-ODPBFBRLSA-N 473.661 5.686 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)ncc3Cl)C2)CC1 1807292137 GNVHNVNALHPQLE-KRWDZBQOSA-N 494.861 5.111 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1809158994 PHJHMQUMHGIDKH-WIOPSUGQSA-N 457.574 5.224 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1810169141 UCYSFOVLFAPJLU-MIHVYDCKSA-N 483.612 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@@H]1c1cccnc1 1810173073 DWLMQWAMAZQJMF-WWUPIGTESA-N 498.627 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810176036 YQOHKFWZHOILRG-GSLIJJQTSA-N 477.674 5.265 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1811230856 WWOLNIOMLYBXHL-ZCYQVOJMSA-N 477.649 5.571 30 20 JKED CC1=CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CC1 1811872811 HFHMYEPXEFDJEF-PTLVVNQVSA-N 496.533 5.038 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1812673115 OTBRCMHSCZEFRT-AUUYWEPGSA-N 486.321 5.059 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)[nH]n1 1814442875 ZRESHNQUDCASHN-KRWDZBQOSA-N 463.504 5.122 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)[nH]n1 1815659220 MRKNLLVBJQVHQC-KRWDZBQOSA-N 467.422 5.250 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818745443 ULYOXBRXHJYFCW-SFHVURJKSA-N 461.900 5.062 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)[nH]n1 1819302212 AGFAHEKYCNRKOC-JFYQVNSESA-N 450.558 5.113 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)[nH]n1 1819307360 SPJLHZMEVFBDBF-CYFREDJKSA-N 497.603 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)cc(OC)cc2C)[nH]n1 1819308938 ITPASPSVSGBFKM-IRLDBZIGSA-N 450.583 5.109 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(F)cc3)[nH]n2)c1Cl 1820221166 PDFWSKJHIVKADY-NRFANRHFSA-N 479.943 5.013 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437262 COMWSVGIHUVQDI-AUSIDOKSSA-N 489.576 5.309 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)[nH]n2)c1 1820485841 HQCVQYIWMKZEOT-HSZRJFAPSA-N 484.947 5.103 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)c(C#N)c2)n[nH]1)c1ccccc1 1820910319 FZRPQQZPUSXKQD-SQHAQQRYSA-N 487.579 5.095 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[nH]n2)c1 1821275273 FMHOXDQSQHKVAZ-SMOZNVCYSA-N 477.584 5.333 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccncc34)[nH]n2)c(Cl)c1 1821277319 VALDOEQOQMXJPX-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310443 WTVLQKLIEKUBQB-FPOVZHCZSA-N 485.510 5.374 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1)c1ccc(O)cc1 1822469595 NXGFEGAIYIXHJD-BWKNWUBXSA-N 496.567 5.365 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1822582664 RLDXHJWLILFTDO-QHCPKHFHSA-N 468.557 5.809 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823604768 NZHYPXWTGQXECJ-RUZDIDTESA-N 456.590 5.300 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2)CC1)c1ccccc1 1823625329 AOAMHFNFOUYDTR-RPBOFIJWSA-N 478.036 5.166 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1Cl 1823909561 BKGKFAXSADNKLB-VWLOTQADSA-N 464.009 5.262 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1824142533 WEDTXBVPSCKDMZ-URXFXBBRSA-N 454.577 5.292 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3scnc3C3CC3)CC2)c(Cl)c1 1825651334 QPWRFPYTBSSXKD-NRFANRHFSA-N 483.037 5.093 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828156940 YIIJDSYWPPKAMV-UWJYYQICSA-N 473.614 5.075 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)c2[nH]1 1828207904 CKZJIEXOXHHBDC-HHHXNRCGSA-N 482.628 5.214 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 1828907221 ZFKWKGJLFNTDLH-HSZRJFAPSA-N 483.754 5.514 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1829068711 LXOPELLKWXLKGJ-XMMPIXPASA-N 485.072 5.371 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1)c1ccccc1 1829139928 PWTHIWYZNNXOOX-ISKFKSNPSA-N 499.577 5.464 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3F)CC2)cc1C#N 1830084460 KVYDPRVZAKBQJH-XMMPIXPASA-N 495.570 5.171 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1830413179 CWGPFXFQEPTJPV-UGKGYDQZSA-N 494.661 5.188 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1830417121 RPGLOUNBIJTNCG-JTSKRJEESA-N 474.001 5.120 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1)C(F)(F)F 1830737540 VJFGZSVHJHOOLR-KRWDZBQOSA-N 481.317 5.484 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830785078 ZFSSOYPVNGNDRL-JOCHJYFZSA-N 495.447 5.045 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1830994451 ARDSYLFXDCPNPT-XMMPIXPASA-N 492.982 5.379 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1 1831297671 KZKIHQJOTLTKAT-VWLOTQADSA-N 497.561 5.247 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)CCC1 1832784192 LKCOQHZRNQMRTK-FQEVSTJZSA-N 470.038 5.482 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)CC1 1838423813 FOJNJDPRYHXNIL-UHFFFAOYSA-N 482.999 5.223 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(C)s3)CC2)CC1 1838424033 FSOOWZQQZFHORA-CMDGGOBGSA-N 458.668 5.061 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccc(Br)c3ccccc13)C2 1841319388 RGZKCTRGXMEEHC-UHFFFAOYSA-N 467.407 5.188 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1 9447924 YYYJRDZEIOAXMC-HXUWFJFHSA-N 497.624 5.353 30 20 JKED CC(C)c1ccc(-c2nc(CC(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)cs2)cc1 9555106 DMEKDSFUKNLHAI-UHFFFAOYSA-N 453.951 5.183 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2cccc(C)c2)cc1 10167671 DNFZLYYWUICLAL-UHFFFAOYSA-O 478.638 5.408 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1cccc(Cl)c1 10179052 FBTRZUOWUQVNOD-UHFFFAOYSA-O 452.770 5.691 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 15248297 BNVDDLMFNIZDFI-UHFFFAOYSA-O 483.013 6.156 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC(F)F)nc2sc3c(c2c1=O)CCCC3 16715453 GYWQKKLIYHMDNF-CYBMUJFWSA-N 491.585 5.244 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 16800516 WPDDNZHLIKXFFY-JTQLQIEISA-N 463.744 5.143 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)nnc1-c1ccc(Cl)cc1 16814573 MXHNJGHJMZMRRE-HNNXBMFYSA-N 466.994 5.057 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCc3cc(OCC)c(OCC)cc3C2)c1=S 16875057 HNFFNLMHBMWJGK-UHFFFAOYSA-N 480.634 5.089 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCCCCC2)nc2scc(-c3cccs3)c2c1=O 16986902 PTWBTVILYARMTB-OAHLLOKOSA-N 459.662 5.256 30 20 JKED COc1ccc(-c2noc(COC(=O)c3ccccc3Sc3ccccc3C#N)n2)c(OC)c1 17531161 CIRDDYYVYULJKW-UHFFFAOYSA-N 473.510 5.134 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2scc(-c3cccs3)c2c1=O 17724529 RVBONAJZPJJVBK-LBPRGKRZSA-N 484.653 6.337 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3)o2)nc2cc(-c3ccccc3)sc2c1=O 21494487 MSDLUGLFAJFQJU-UHFFFAOYSA-N 458.568 5.653 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Cl)c2)cc1 22730570 SBOMIHGMNPZICA-UHFFFAOYSA-O 459.969 6.254 30 20 JKED COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)Cc2ccc(C#N)cc2)cc1OC 25119972 XNFSQOSAIOTIFV-XQNSMLJCSA-N 489.575 5.883 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c12 33196716 CUYNKWFCJWWYTB-STQMWFEESA-N 489.391 5.977 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 36760841 JFGNPVOPXZYZEE-HSZRJFAPSA-N 466.541 5.123 30 20 JKED C=C(Br)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CCCCC1 59925374 QHUMZZHFKCVYEE-UHFFFAOYSA-N 468.417 5.477 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 68769537 WRHPYOSOHSKBOF-UHFFFAOYSA-N 497.628 5.217 30 20 JKED C=CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1nc2c(s1)CCCC2 105550758 GVLJUIAFEPXLLC-UHFFFAOYSA-N 465.579 5.303 30 20 JKED C[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 108956502 YXBGUWUJJLVBCW-SFHVURJKSA-N 452.476 6.483 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3)n2)nc2sc(C)c(C)c2c1=O 115876499 KNNGEHYLKAOVDR-UHFFFAOYSA-N 482.656 5.191 30 20 JKED Cc1nc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)sc1SCC#N 117272222 IMYGVOXZFJLEPX-UHFFFAOYSA-N 452.586 5.753 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 195682964 JTQPMAUXVWIMHF-UHFFFAOYSA-N 495.608 5.185 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 302936114 AEBSMXDGEVYNSQ-UHFFFAOYSA-N 486.547 5.358 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1Cl 409790256 ICQLJIUHNBGIDF-IBGZPJMESA-N 482.849 6.317 30 20 JKED COc1cc([C@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1OCc1ccncc1 483031295 WBQWIVXKGQJINB-FQEVSTJZSA-N 479.536 5.824 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483464095 KCOWSXLGNDZWNQ-HXUWFJFHSA-N 453.542 5.926 30 20 JKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2)C1 499187242 DJHNACKUEHOBKO-DVECYGJZSA-N 487.560 5.720 30 20 JKED N#CCc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)cc2)cc1 507738210 BHMBOJKEYQNGAP-UHFFFAOYSA-N 480.549 5.805 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1 507839575 BYOQIIBRTMURHA-HNNXBMFYSA-N 453.445 5.400 30 20 JKED N#CCC[C@H](C#N)CSc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1 508564794 QQXFRNXDXXGYPD-QGZVFWFLSA-N 471.424 5.585 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1Cl 510642066 YDECOIDTSCJSHS-DEOSSOPVSA-N 477.967 6.004 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccco2)c2cccc(Cl)c2)CC1 512300986 APJNPRGQPAYBLA-UHFFFAOYSA-N 476.920 5.502 30 20 JKED C[C@@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 512869335 QOIBXRYUKUSMNJ-SNVBAGLBSA-N 483.764 5.600 30 20 JKED Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1-c1ccccc1 517447857 UHOFNHMEUKYFPK-QGZVFWFLSA-N 489.626 5.818 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 517461152 AVJMSWQQVQSXFE-UHFFFAOYSA-N 461.425 5.057 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 517684912 RNTVNJMPLMYNIN-HXUWFJFHSA-N 468.582 6.680 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)C[C@H](C)O1 518148020 MSKCQQBQYFYJTB-IRXDYDNUSA-N 477.552 5.573 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 518683660 ZKXPUJCTRCGCRG-AEFFLSMTSA-N 465.554 5.539 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)n2)cc1 518913642 PEGRQAOPWBFKFI-FQEVSTJZSA-N 482.525 5.294 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 519129005 KICDCYOAVUORRR-CJFMBICVSA-N 473.598 5.015 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccnc1SCc1cccc(Br)c1 519434129 PFHIXESUKLIVHN-INIZCTEOSA-N 498.471 6.640 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 519450639 HKMANJNGYTULQO-QGZVFWFLSA-N 462.550 5.651 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)c2)cc1 520532142 FOVFLIBLACLIPY-UHFFFAOYSA-N 489.578 5.143 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 520826408 SUXSZFIGKHPUFT-GJZGRUSLSA-N 466.632 5.345 30 20 JKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 520846883 NWEYCXBVQZVLQU-LJQANCHMSA-N 477.552 5.943 30 20 JKED C=CCn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1[C@H]1COc2ccccc2O1 522632418 JWPUMCXVEDLUGP-XMMPIXPASA-N 472.570 5.243 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)N(CCC#N)c1ccc(F)cc1 597563440 QVAWSJJIZCTGPQ-GOSISDBHSA-N 475.549 5.153 30 20 JKED C=CCN(C(=O)c1cc(-c2cccc(F)c2)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603615925 POBXJPQOIBTXTM-UHFFFAOYSA-N 450.451 5.345 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 603991583 NAARLHVLJOGUSW-INIZCTEOSA-N 461.612 5.393 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccco2)cc1Cl 604157953 CKLLAQYZHREYSM-RUZDIDTESA-N 483.955 5.756 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC(c2nc3ccccc3s2)CC1 604158413 UERFKMASHBDSKP-UHFFFAOYSA-N 497.580 5.008 30 20 JKED Cc1cc(COc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2Br)no1 604469845 KNIDPIGOQVRNPM-UHFFFAOYSA-N 468.351 5.247 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1 604472297 TVOLWWKSFPNOTN-VWLOTQADSA-N 455.627 5.493 30 20 JKED COc1ccc(-c2nnc(SCc3c(C#N)c(C)nn3-c3ccccc3)n2Cc2ccco2)cc1 604533778 HUVHGFJBJSBBQD-UHFFFAOYSA-N 482.569 5.253 30 20 JKED Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c(C)o1 608994379 LBYNTWBYDNXQID-XMMPIXPASA-N 490.991 5.632 30 20 JKED COc1ccc(C[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2)cc1OC 609060500 CSFODNCANKIFGJ-RUZDIDTESA-N 482.536 5.461 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 609079264 SQYDDKVUEITWPC-RPLLCQBOSA-N 455.558 5.735 30 20 JKED N#Cc1c(NC(=O)CCN2CCC(c3nc(-c4ccccc4)no3)CC2)sc2c1CCCCC2 609146378 DLSTZOUDIVWKIZ-UHFFFAOYSA-N 475.618 5.147 30 20 JKED COc1ccc(-c2cc(CSCC(=O)Nc3ccccc3S[C@H](C)CC#N)on2)cc1 609388767 IVAQDQFVJINDGP-MRXNPFEDSA-N 453.589 5.616 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2cccc(Cl)c2)no1 609388901 KNDQVQQRPWEYAH-CQSZACIVSA-N 458.996 5.656 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1OC 609427759 JCUGAGGJFZIOPL-AWEZNQCLSA-N 453.589 5.782 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 609435418 NROHXXIEARVAML-UZLBHIALSA-N 490.551 5.585 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 609437658 JFCVFWZPJBQJRL-ZIAGYGMSSA-N 450.391 5.546 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc(-c2ccccc2)cs1 641902337 STLBTKPHUMJIDA-UHFFFAOYSA-N 481.643 5.208 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc2c(s1)CCCC2 648056938 NCPYLVFESJNXCO-UHFFFAOYSA-N 462.402 6.136 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c12 726320319 WTRPLHLIKQFJJI-JOCHJYFZSA-N 488.503 5.952 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 726392434 GSYVVCMZYZLASU-MWTRTKDXSA-N 497.567 5.503 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)cc1F 726413505 YCHZGHXKMDILNK-OYHNWAKOSA-N 499.539 5.158 30 20 JKED CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(OCC(=O)Nc2ccccc2C)cc1 726425723 DHKCMWMZCQXNEN-UHFFFAOYSA-N 466.463 5.739 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1Cl 726570858 MLPYZHCVNSCDDX-UHFFFAOYSA-O 482.963 5.979 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2sc3ccccc3c2C)[n+]2ccc(CC)cc2)c1 726573070 ZATLBWOMNRWVSL-UHFFFAOYSA-O 455.628 6.364 30 20 JKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 726695508 GMLOJJCMSMFSJA-CJFMBICVSA-N 458.993 5.952 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 727233209 JMDQXNUJAYLBCH-RISCZKNCSA-N 458.408 5.135 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccccc2I)cs1 727780519 ONWJGVLKGMTYLC-DHZHZOJOSA-N 492.313 5.468 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 727999122 MLRKMDWGDARZJT-VWLOTQADSA-N 473.960 5.265 30 20 JKED CCC(C)(C)C1C/C(=C\c2nccn2CC(F)(F)F)C(=O)/C(=C/c2nccn2CC(F)(F)F)C1 728695212 SIEAZMYCMXULGB-JOBJLJCHSA-N 488.476 6.087 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCCCC#N)c1 728779314 YBYUDOVCKHKSGU-FQEVSTJZSA-N 488.535 5.668 30 20 JKED CN(C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1)C(=O)OC(C)(C)C 729564921 LALRAPUCGSUCFI-IBGZPJMESA-N 450.539 5.071 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3ncccc3C)C2=O)c1 729633284 WOQYZGAQUCFFNZ-QHCPKHFHSA-N 492.576 5.007 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCC2)cc1 730460970 JGGOWUYHRFCUJM-SFHVURJKSA-N 478.401 5.515 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)cc1 730462494 NQQSWPPLXSUTAZ-NRFANRHFSA-N 473.545 5.265 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1F 730503224 NZHRMSHNTCXRMC-SFHVURJKSA-N 497.564 5.137 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1 730726449 FROCCUAESUKNIB-HSZRJFAPSA-N 488.544 5.436 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCC2 731060263 DSXRKPZMQNSWSD-OAHLLOKOSA-N 499.658 5.269 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCCSc1ccc(Br)cc1 731136145 OGPLJOIYNSMXFZ-KRWDZBQOSA-N 461.381 5.068 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCCOc1ccc(Br)cc1 731167284 QRHJOFMAUXJVOS-UHFFFAOYSA-N 452.352 5.134 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(OC)cc2)s1 731304966 DCRCYGDBXNRSOS-QFIPXVFZSA-N 495.626 5.185 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCOC(C)(C)C 731310276 DPKJUNQJMOVYMM-HXUWFJFHSA-N 490.025 5.129 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)cc2F)C1=O)Nc1ccccc1F 745583520 HZKJRGJNRPAXPJ-OAQYLSRUSA-N 469.488 5.264 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 746694178 RDDWUNGOGVYONJ-QHCPKHFHSA-N 483.609 5.091 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OCCCC#N 747473205 ZBDDIFZMJPPCQN-PXLXIMEGSA-N 452.601 5.907 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cs2)cc1 749318417 VBZCOYCPJBTKMX-AWEZNQCLSA-N 481.599 5.203 30 20 JKED CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 750699032 YRQASRWFKWHIRV-QGZVFWFLSA-N 470.957 5.382 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CC(F)(F)F)C1=O 799220809 HXMJPFVPAVFVHY-GOSISDBHSA-N 499.942 5.651 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1ccccn1 837283679 GRZGZQJFKBTSLC-JTSKRJEESA-N 494.567 5.698 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(CCc2cccs2)C1=O 838231265 FUKFMGAFZZYDFH-QFIPXVFZSA-N 497.617 5.407 30 20 JKED CC(C)Cn1cc([C@@H]2N(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC23CCOCC3)cn1 849536855 RBJAVKOWLYDIPM-SANMLTNESA-N 486.641 5.556 30 20 JKED Sc1nnc([C@@H]2COc3ccccc3O2)n1N=Cc1ccc(-c2ccccc2Cl)s1 874065892 BRTBHVCJUQCCDI-SFHVURJKSA-N 454.964 5.343 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)F)cc2)c(C)s1 914694328 HMRQSSJLEBNODU-ORAYPTAESA-N 493.601 5.328 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915086660 VYJGPYMPMBMETN-QHCPKHFHSA-N 454.555 5.887 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(C[C@H]3CCCO3)C2=O)c1 916213759 GXNCECLGBTURSN-TZIWHRDSSA-N 472.010 5.096 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5c(Br)cc(F)cc54)c23)cc1 916357296 JLPPFKDHGWBNNW-UHFFFAOYSA-N 498.337 5.037 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1nc(N)nc(Nc2ccccc2)n1 916881771 ZAIXQRRPGDSSDO-NCUBBLFSSA-N 472.961 5.469 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916898276 AEGBDESUPCRPML-IBGZPJMESA-N 479.895 5.010 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(C2SCCCS2)cc1 916901875 RHTKDAQLTSSRRU-MRXNPFEDSA-N 461.008 5.487 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905387 KINYWUIKNMYYNH-NRFANRHFSA-N 485.540 5.935 30 20 JKED Cc1cccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)c1 916907477 IJCSEMYVENCVBZ-JOCHJYFZSA-N 467.550 5.801 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 916907486 IKXDZNXFWLYQQW-IQGVVSCOSA-N 466.415 5.738 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)c(I)c1 916918217 OAMSLMAACIFVLD-HNNXBMFYSA-N 474.685 5.059 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br 916945514 CHKHRIHHYCRLHS-OAHLLOKOSA-N 470.150 5.045 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)n2)cc1 916972093 KHUSSQHLHJBMQD-LOSJGSFVSA-N 495.604 5.833 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 916975290 XCNXSGFVAFJYFY-UTKZUKDTSA-N 484.408 5.906 30 20 JKED Cc1sc(=O)n(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1-c1ccc(F)cc1 917043553 LPJJFAAQYUCXSA-OAHLLOKOSA-N 491.491 5.529 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1C 917257692 SWZKQVNBHNVSHE-UHFFFAOYSA-N 473.485 5.108 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 917424184 FOKDJLOKFBGDQR-MRXNPFEDSA-N 490.343 5.716 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@H](C)c2ccccc2)cc1 917609609 JRRUEFJJLRHTBM-HXUWFJFHSA-O 488.677 5.895 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccc3c(c2)CCCC3)C=C1 917611209 XFBSMLYGWJIPTF-UHFFFAOYSA-O 494.640 6.100 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3)C2=O)cc1 917704721 XTZHPOCWMRCLKT-QHCPKHFHSA-N 454.555 5.027 30 20 JKED CC(C)[C@@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F 919207501 XXHINRRVKXEXMC-HXUWFJFHSA-N 450.482 5.017 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 919666793 NRSJXOYWTIBPQZ-GOSISDBHSA-N 499.350 5.551 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 920672024 QSLCLEZOZHRUKJ-CABCVRRESA-N 469.950 5.059 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)COCC(F)(F)F)cc1 921255370 ZYJZWALQZVDJSO-BEFAXECRSA-N 497.514 5.062 30 20 JKED COc1ccc(OCc2ccccn2)c(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1 921255499 TWTFDOCSHFIPJZ-UHFFFAOYSA-N 482.565 5.298 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 927534043 UYAODSWLGBBPNF-KRWDZBQOSA-N 467.978 5.573 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(F)cc(Cl)cc2Cl)C1 1781037485 YKIPQQJBULRCDR-WSCWJOSJSA-N 483.411 5.028 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785795796 CKMKRINVKPQYMP-OAQYLSRUSA-N 466.585 5.126 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccc(Br)cc34)CCC2)cc1 1785936697 SXDRFCGFKMBNOO-UHFFFAOYSA-N 491.389 5.295 30 20 JKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)/C=N/N3CCCCC3)CCC2)cc1)c1ccc(Cl)cc1 1785987666 DVWYDLWIEFOMDB-VKLJRCAFSA-N 467.013 5.049 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCNc3ccc(C)cc3C)CCC2)cc1 1786366935 IQSMCROAUXRSME-UHFFFAOYSA-N 463.622 5.222 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)c1 1786621055 IQHBNFKWXSAQLE-QGZVFWFLSA-N 457.496 5.794 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)c4ccccc4c3)CCC2)cc1 1787646023 ASHYALYRDPACTD-UHFFFAOYSA-N 462.347 5.264 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(Br)ccc3Cl)CCC2)cc1 1787888867 JYRAYWYRRDUQBJ-UHFFFAOYSA-N 474.786 5.083 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)cc1 1788725389 SMDNTWHZXYDZMC-UHFFFAOYSA-N 453.420 5.232 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)cc3)CCC2)cc1 1789528148 HPDYSRYKAGZIFK-GMQQYTKMSA-N 479.605 5.123 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCC2)cc1 1789622594 SWFNGPQRNXIMCZ-IBGZPJMESA-N 471.642 5.274 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1)C(F)(F)F 1789993689 PQLXUYIXYFBJTE-UHFFFAOYSA-N 494.473 5.689 30 20 JKED Cc1ccc(OC(C)(C)C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)nc1 1790380583 DSKUOYFLKIDPDL-UHFFFAOYSA-N 482.584 5.061 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CCN(c5ccccc5)CC4)CCC3)cc2)cc1 1790705109 JLBBWFWGNWNJQV-UHFFFAOYSA-N 492.623 5.417 30 20 JKED Cc1ccc(OC(C)(C)C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)nc1 1790707460 LHNIMIFVCWCVJJ-UHFFFAOYSA-N 482.584 5.061 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790765781 AJFRZCYXJMZXFE-UHFFFAOYSA-N 496.007 5.471 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5ccc6cnccc6c5)CCC4)cc3)c2c1 1790835228 YPEHRCOXNXKVAZ-UHFFFAOYSA-N 486.535 5.044 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ncccc5[nH]4)cc3)CCC2)c(Cl)c1 1790841379 AYJRHBUSOYVWEZ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccoc4)cc3)CCC2)ccc1Br 1791955646 BVQXUSLTWFCJKO-UHFFFAOYSA-N 492.373 5.294 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCc5ccoc5C4)CCC3)cc2)c1 1792123045 HQYVVFQAYXACNU-XXBNENTESA-N 467.569 5.459 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1Cl 1799224721 ACFPGCWWHCUARA-MUJYYYPQSA-N 472.910 5.518 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CCCc4c2[nH]c2ccc(Cl)cc42)C3)cc1 1799669554 YVXNVVHXLGJNMY-KGSLCBSSSA-N 487.003 5.065 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802493316 VUOSWFYQLLMJHI-APTRMMRNSA-N 468.041 5.537 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1802495039 IKAAGPFWNJQJFC-DENIHFKCSA-N 473.539 5.412 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1802577936 MSUDVCNDQLSMMP-OTKQLONYSA-N 494.639 5.032 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)c1cc(F)cc(C(F)(F)F)c1 1804138030 XEKORIIKWFBCMY-BHWKYUNUSA-N 494.451 5.465 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1809752469 DYOAEXGTCPFFMU-AUSIDOKSSA-N 465.644 5.446 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4c(s3)CCCC4)[C@@H]2c2cccnc2)c1 1809772925 NWHORFRZEGMITH-WMEMMNBJSA-N 498.652 5.282 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810172189 KUKNKROQQWEWPF-FHAGJXEFSA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1810174733 PMJAPQYVSPCEDS-ARMFNRFLSA-N 475.633 5.347 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1810504555 FIKKNRGKFBRXJK-KNQAVFIVSA-N 473.539 5.412 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)[C@H]2c2cccnc2)C1 1811139619 PNGQBHVRLYFKGB-LAUBAEHRSA-N 477.914 5.040 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1811205527 APCWPXTYVMZQLO-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1812072454 TZUQUTMYRMBYMG-BWKNWUBXSA-N 491.035 5.595 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812673430 UIYPUVSXHLZVTQ-KNQAVFIVSA-N 469.557 5.136 30 20 JKED Cc1ccc(CCC(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1812743320 MZLNLXAYFAZILQ-GGXMVOPNSA-N 489.736 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1812787490 MVRIDTTYQQMUSB-MFYODDQASA-N 453.671 5.686 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)cc2Cl)[C@H]1c1cccnc1 1812980774 KFUDGAPJZNCGRE-LATFHXTDSA-N 482.024 5.152 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)oc2ccccc12 1813866384 QHMJLEBRDXVUIZ-RMQVNJIYSA-N 492.579 5.397 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)cc1 1814379086 AJBGFKNZKGSVLM-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(OC(F)(F)F)c3)[nH]n2)C1 1814397493 LJFTXJXETNYDHC-SFHVURJKSA-N 482.890 5.234 30 20 JKED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 1818284775 AHGKCQNUCMGGLI-CQSZACIVSA-N 490.050 5.220 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)[nH]n1 1819309113 MRGZXWPXKHIESJ-CTNGQTDRSA-N 490.526 5.511 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)[nH]n1 1819384611 UKJLJYNWHNNZSA-ICSRJNTNSA-N 478.660 5.278 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)n1 1820217580 FBOLQWAKHYKDFV-SFHVURJKSA-N 482.997 5.134 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1)c1ccccc1 1820482026 RPSSLESVQCFMPP-NOZRDPDXSA-N 455.562 5.027 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821107011 GBVHNJMDEBCDNS-IBGZPJMESA-N 491.817 5.325 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277029 BUKFJYLIJHIIKG-JOCHJYFZSA-N 491.979 5.180 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)[nH]n2)s1 1821692207 CZGDHEJXOOPLPY-NRFANRHFSA-N 490.633 5.399 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)[nH]n1 1822384425 CUGLDRNWVIYJCP-VGSWGCGISA-N 480.659 5.326 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1822582355 LDLXWLKOACRHAA-RUZDIDTESA-N 471.605 5.317 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3Cl)[nH]n2)c1 1823218501 SAVDAHUTXKXAFD-KSFYIVLOSA-N 461.953 5.310 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2C)n[nH]1 1823288793 DAUXHFLUCDAAIQ-HXUWFJFHSA-N 478.515 5.026 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823675253 DMGVTHHHJOZJKH-RUZDIDTESA-N 468.041 5.823 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1)C(F)(F)F 1823678265 KOAXTPQDFYBJRB-HXUWFJFHSA-N 467.919 5.173 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CC2)C1 1823703132 OUMBUICBXUQJHG-CYFREDJKSA-N 476.583 5.481 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1823715156 FJYNBKSEAAMZGW-WGHVAGTHSA-N 475.658 5.276 30 20 JKED CO[C@@](C)(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1)c1cccc2ccccc12 1824537570 DGZUHMOSXSFKNZ-IWVFXYMLSA-N 496.717 5.276 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Br)c2CC)CC1 1824961028 DWAYGRIEPHRLOW-JOCHJYFZSA-N 493.511 5.164 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)n1 1825385194 FQLDVMCAWUEPMO-YADARESESA-N 478.662 5.441 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1826383503 YDEKHLGFNZHXHY-FTJBHMTQSA-N 480.649 5.046 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1 1827331531 ONSPCIWZYCDTHX-AZGAKELHSA-N 479.690 5.245 30 20 JKED Cc1c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc([C@@H](C)C#N)c4)sc3C2)oc2ccccc12 1827696467 CMKCYJFICOLNOJ-HNAYVOBHSA-N 484.581 5.364 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827775022 QOSGXUZMQGODLP-LJQANCHMSA-N 454.533 5.524 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828164535 XUJNSUJDKIHAEI-XMMPIXPASA-N 484.040 5.104 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828828085 CWEAVELTUBWEBO-QIQWJQGCSA-N 489.660 5.578 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)c1 1829954753 NCRDLCJPRWTCNC-VWLOTQADSA-N 487.003 5.307 30 20 JKED Cc1nc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)c2s1 1830014756 DZPXSLKVXYYSTQ-XMMPIXPASA-N 472.614 5.024 30 20 JKED Cc1occc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830754546 AGYXGUYPXAIVGC-QFIPXVFZSA-N 473.495 5.026 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)S)CC2)cc1Cl 1830783931 QJQUCQZVOBQFIE-YWZLYKJASA-N 487.493 5.332 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)cc2s1 1830888245 OYWGJJGDQYFZIC-RUZDIDTESA-N 488.657 5.276 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1831287427 GAIXHXCQVXKDSQ-AREMUKBSSA-N 490.047 5.371 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC=CCC1 1832406237 BAHQYVGNXXODGR-ATIYNZHBSA-N 454.014 5.191 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)CC2)c1 1832706919 XLDDJOMWFCYGPT-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)C4(c5ccc(Cl)cc5)CCCCC4)CC3)CC2)C1 1833053066 IZXWFQXSXPPFIB-UHFFFAOYSA-N 498.111 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)Sc3ccccc3)CC2)CC1 1836812910 UGUZTQURNUAHMN-OAQYLSRUSA-N 472.695 5.158 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)CC2)CC1 1838657633 MZNLDJSSNWZNNU-QFIPXVFZSA-N 492.635 5.241 30 20 JKED CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 1857591098 MBWXNTAXLNYFJB-DNQXCXABSA-N 450.707 9.158 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccc(C)cc2C)cc1 10168383 HQOWZNUSLBLEML-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179013 YOXGLDCYRRNZKJ-UHFFFAOYSA-O 475.377 5.802 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)c3cnn(C(C)C)c3n2)cc1 10278386 BHQJJMYEKDVDFH-HHHXNRCGSA-N 478.600 5.010 30 20 JKED C=CCn1c(S[C@@H](CC)C(=O)NCc2ccccc2)nnc1-c1ccc(Br)cc1 10534413 CWOSHKJREWYNSJ-IBGZPJMESA-N 471.424 5.081 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 10832945 KMSIEWOFHTUVPT-UHFFFAOYSA-O 458.072 6.654 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)cc1F 11082803 RQXQUWMFQVXZOA-UHFFFAOYSA-O 457.550 5.845 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc3ccccc23)cc1 11127348 MXRLFEKPCYPDFT-UHFFFAOYSA-O 451.615 6.229 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Cl)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F 11159299 FWXPOJNVQFJJEP-UHFFFAOYSA-O 492.398 6.489 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccccc1F 11169326 WQCCGEAEDHHZFE-UHFFFAOYSA-O 458.376 5.489 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc(Br)c2)cc1 15247595 YLPCFUSIDWQTDH-UHFFFAOYSA-O 499.410 5.648 30 20 JKED C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 22492933 MWRZMKWYWNTQSB-AWEZNQCLSA-N 478.957 5.177 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 23739224 ZMZNNLJRUWQXIL-UHFFFAOYSA-N 497.461 5.201 30 20 JKED COc1cc(C(=O)N(C)Cc2cccc(C#N)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 25101443 MJZGEQOEEXQCMC-UHFFFAOYSA-N 451.866 5.193 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 25801412 NQSSSTFPKPORCU-UHFFFAOYSA-N 499.625 5.086 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC 26056233 KVVPKBWGFZHTOK-UHFFFAOYSA-N 490.448 5.188 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)nc2sc(C)c(C)c2c1=O 28682023 XQCXOPGBSSZXKJ-CYBMUJFWSA-N 464.012 5.042 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1Cl 59000606 WGKIRPXCVXFQSH-ISKFKSNPSA-N 459.933 5.365 30 20 JKED COc1cc(/C=C2/Cc3c(Cl)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 72042117 MRFKMKKANHRCCY-WJDWOHSUSA-N 468.336 5.842 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2n1C(F)F 195720745 FPLDKKNYYRPMKO-LBPRGKRZSA-N 463.296 6.352 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc(C)ccc1C 302768422 RXHJIKSNLDDSOH-KRWDZBQOSA-N 456.999 5.433 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(-n3ccnc3C)c(F)c2)cc1 303086949 BUJIISAFCPEHAG-UHFFFAOYSA-N 471.492 5.314 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccc(Cl)cc1 303318278 STTVHESYUMNLHL-MRXNPFEDSA-N 484.050 5.767 30 20 JKED CCCN(C(=O)CCc1c(C)nc(O)c(C#N)c1C)c1nc(-c2ccc(Cl)cc2Cl)cs1 499135542 SGQZKZJVIAJASN-UHFFFAOYSA-N 489.428 6.082 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 501113146 NOMKKFGWVBJYPQ-UHFFFAOYSA-N 459.859 5.133 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)COc3ccc(-c4ccccc4)cc3Cl)CC2)c1 501726214 CIUQFVLIFJTCCR-UHFFFAOYSA-N 473.960 5.135 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc4sc(Nc5ccccc5)nc4s3)CC2)c1 502045783 RMKQIYZBELWURC-UHFFFAOYSA-N 487.610 5.464 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C 502662106 TXCNWJOZQKEHBF-UHFFFAOYSA-N 462.363 5.711 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 504803605 AKVZECWSIFPOHX-HNNXBMFYSA-N 453.420 5.235 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 507872320 ISROFBJTQSLUNY-UHFFFAOYSA-N 458.495 5.170 30 20 JKED C=CCn1c(S[C@H](C)c2nnnn2-c2ccccc2)nc2scc(-c3cccs3)c2c1=O 509622022 SDCXTZAEFAKYEA-CQSZACIVSA-N 478.628 5.202 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)cc1 509780279 ZOQFGQMSBDKINY-UHFFFAOYSA-N 466.541 5.754 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1Cl 510003688 ADDYWVKPHJSYEL-AZGAKELHSA-N 474.992 5.190 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)cc1Cl 510043972 KRMYCDSGZSLBNL-XMMPIXPASA-N 472.976 5.375 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 511186998 RTCPEIQQGUXXJW-UHFFFAOYSA-N 489.503 5.557 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Br)cc1 513648785 UFVOJUSZCUMTTH-IBGZPJMESA-N 490.357 5.413 30 20 JKED CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 513864269 RPDKSJIMYXICKN-KRWDZBQOSA-N 468.985 5.409 30 20 JKED CCN(CC)C(=O)Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513949858 HSRZMBFPMMIJBI-UHFFFAOYSA-N 472.564 5.343 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 514503755 QCNDISKESLEPQE-UHFFFAOYSA-N 489.919 5.606 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SC[C@H](C#N)CCC#N 514594889 KCRUMAJEMAHHFR-JAZQRGJZSA-N 453.587 5.529 30 20 JKED COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515706811 DXLPPKBRSPKXBG-UHFFFAOYSA-N 495.988 5.111 30 20 JKED C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 517836178 JIVAHSBYHNTUJZ-QFIPXVFZSA-N 473.960 5.273 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)c4cccs4)c3)n2)cc1 518516764 XGIIRJGOACXQDS-IBGZPJMESA-N 459.552 5.623 30 20 JKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 519193181 KGUGNSAPQBWTMW-UHFFFAOYSA-N 462.365 5.354 30 20 JKED C[C@H](COCC(F)(F)F)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 519262928 DDSMXFZOSFSKBY-LLVKDONJSA-N 481.368 5.186 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)NCCc4cccs4)CC3)cc2)cc1 519871131 WPSXOYCAVHPRMT-UHFFFAOYSA-N 474.586 5.015 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)cc2)cc1 520607856 YOWFOJUCUXSWDY-UHFFFAOYSA-N 456.527 5.121 30 20 JKED C=CCCO[C@H](C)C(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 520685304 DTKHBMHJVUZVGB-CRAIPNDOSA-N 454.514 5.322 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cs1 520845440 HCFSYXBNBJBUTI-HOTGVXAUSA-N 464.616 5.186 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4ccco4)nc3O)s2)c(C(F)(F)F)c1 521008136 UYDRSNBGSYXPMP-UHFFFAOYSA-N 470.432 5.237 30 20 JKED CCOc1ccc(Oc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 521325255 AUYVACXXSMJYGQ-UHFFFAOYSA-N 497.511 5.815 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 521647351 XBLHNYYSKDIMSA-UHFFFAOYSA-N 462.553 5.177 30 20 JKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 521735182 ZSLVZNXLFBWDLF-LJQANCHMSA-N 468.582 6.052 30 20 JKED CCOc1cccc([C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 521741383 DWPORHQPAMCSFE-SFHVURJKSA-N 459.571 5.179 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 524438684 QXRCUPXNMRDQFY-UHFFFAOYSA-N 482.584 5.180 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 551751393 FJUQXBVUXSJQIG-UHFFFAOYSA-N 493.485 5.209 30 20 JKED CC(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 588309361 GXXZVCBBYAQKQN-ZNMIVQPWSA-N 464.372 6.175 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)c(C#N)c1C 590613327 LEJXBXWLIWQFQH-UHFFFAOYSA-N 487.585 5.658 30 20 JKED O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnn(-c2ccccn2)c1C(F)(F)F 591781987 XQEGGLJDINCRCE-UHFFFAOYSA-N 450.289 5.193 30 20 JKED Cc1sc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c(C#N)c1C 592795981 DCRKKSWKAVAQKF-UHFFFAOYSA-N 484.006 5.521 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccccc3COCc3ccccc3)cn2)c1 603691983 MSKPTTXWSRECTG-UHFFFAOYSA-N 464.525 5.784 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3cccc(Br)c3)o2)c1C 603905597 JWGTYXORMMISIZ-UHFFFAOYSA-N 471.380 5.155 30 20 JKED CCCCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604160453 KGQQROLADVGERP-UHFFFAOYSA-N 460.509 5.042 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nc2ccccc21 608784905 DKHSUOLBYGASIT-QHCPKHFHSA-N 452.518 5.484 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 608841291 NIEQTFJNYWCWBW-OAQYLSRUSA-N 497.530 6.260 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cccc(Br)c1 609079069 HWGZLIJUMSRKHG-UHFFFAOYSA-N 464.363 5.872 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609080716 SUWFEPNOBWAPQN-XMMPIXPASA-N 491.975 6.177 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208613 XXUXZUOCCJMIGC-UHFFFAOYSA-N 493.361 5.572 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC2)cc1 615519729 UFFUNIBQSBCZLQ-UHFFFAOYSA-N 466.541 5.246 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 615973745 VTWWKYUQNQKZPB-UHFFFAOYSA-N 457.299 5.262 30 20 JKED N#C[C@@H](C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282016 CKSGHLBJAQJHQO-INIZCTEOSA-N 487.890 5.669 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NN=C3c4ccccc4-c4ccccc43)cs2)cc1 725797225 GXEMOBKMJPLLSU-UHFFFAOYSA-N 452.539 5.688 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726406362 JPCTVJIGJZPKCX-HXUWFJFHSA-N 454.983 5.199 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cc(C)on2)c1 726412800 UGOZBZIPUZFRLW-VWLOTQADSA-N 494.576 5.278 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)N1C1CC1)c1cccs1 726418794 FRONCVVVWCIPAX-ATHMMGOPSA-N 481.615 5.615 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1cccnc1)c1cccs1 726421365 QBCZMLZKBUHOOL-CXYDIROXSA-N 482.606 5.433 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)c(Cl)c1 726891678 PPCRAQPXFZHQKW-SFHVURJKSA-N 499.942 5.738 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 728061818 ADZXSSYTTRSUPS-KRWDZBQOSA-N 455.474 5.577 30 20 JKED Cc1ccc(NC(=O)NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)c1 728297848 MKNKCMCUJJSYPA-SFHVURJKSA-N 460.509 5.042 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccccc1Br 728298503 VMSFPCXUOMRQJF-OAHLLOKOSA-N 468.326 5.478 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccco3)C2=O)cc1 728422420 BLHRRKFGLLIJLD-HXUWFJFHSA-N 482.924 5.104 30 20 JKED C#Cc1cccc(N(CC)C(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 728481317 WWDIWLIPGLXCRL-UHFFFAOYSA-N 459.596 5.332 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 728778193 RDOOHFRYXMHXAW-QHCPKHFHSA-N 474.561 5.633 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)c1OC 729428281 BQFMDAUSPANKSF-GOSISDBHSA-N 466.950 5.061 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ncccc2C)C1=O 729635012 ZDJPKCYASKGYSS-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 729888622 MAZUCEPLGZLFSV-XDHUDOTRSA-N 455.514 5.052 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CCC2)C1=O 730461075 KXSFPBQJLJOQFJ-QHCPKHFHSA-N 487.581 5.359 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1C 730942315 MJNPGIJOSOYWRO-FDDCHVKYSA-N 476.577 5.559 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 730952004 JWNCHDNRFBDIQR-ZDUSSCGKSA-N 493.104 6.442 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1 730952734 UFWVMGUTNJNGEI-GFCCVEGCSA-N 467.563 6.298 30 20 JKED CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 731002322 PSIDOQOVFGMTCB-UHFFFAOYSA-N 451.482 5.259 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1-c1ccc(C#N)cc1 731079556 DKBLLZWXEHFBHB-SFHVURJKSA-N 472.570 5.156 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1cccnc1 731308720 MQNJLDKEHSGGRI-SBUREZEXSA-N 474.586 5.071 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 731400827 VEEKGAYZPLBEPC-MRXNPFEDSA-N 460.550 5.473 30 20 JKED N#CCN(C(=O)COC(=O)c1oc2ccccc2c1CSc1cccs1)c1ccccc1 742980411 RGPDIKGGTUCZOY-UHFFFAOYSA-N 462.552 5.500 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cscn3)C2=O)cc1 747599665 LCQZWUVHAOOOFZ-OAQYLSRUSA-N 464.616 5.229 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(CC(F)(F)F)C2=O)c1 799212754 KAMCWLPJVZXLOC-KRWDZBQOSA-N 485.915 5.180 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1ccccc1C(F)(F)F 799216723 FFDOGEHTSCISSB-HNNXBMFYSA-N 475.414 5.228 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OCc1ccccn1 819843404 YQRKYKLESNMJNL-UHFFFAOYSA-N 456.358 5.397 30 20 JKED C=CCOc1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1OC 831905705 NJVREVXWRJNHFY-UHFFFAOYSA-N 457.570 5.048 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2cccs2)C1=O 837401509 ACPGYGJSNRSSIO-QFIPXVFZSA-N 479.627 5.534 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CC1 838503972 HPUDITQIMQBGSP-KRWDZBQOSA-N 464.374 5.125 30 20 JKED N#Cc1ccc(N2C[C@@H](c3nc(-c4cccc(Oc5ccccc5)c4)no3)CC2=O)cc1Cl 904591622 PAUIAQZBFIKHMM-SFHVURJKSA-N 456.889 5.574 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(-c2nc(-c3ccco3)no2)c1 904761707 IGWCJYCNMBOBOX-UHFFFAOYSA-N 471.922 5.040 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)/C=C/c3ccc4ccc(Cl)cc4n3)s2)cc1 912895922 ZJBQOQZBZIJIEB-MDZDMXLPSA-N 463.975 5.556 30 20 JKED Cc1c(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)sc2nc(C(F)(F)F)ccc12 914679589 CBUSHMHHWOVJLQ-UHFFFAOYSA-N 481.883 5.381 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)Cc1cccs1 914689909 CVVSKJSTBCCQFN-ZHRRBRCNSA-N 497.617 5.487 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCc3ccc(C)o3)C2=O)cc1 915110688 ADJCSZZYHSJHJB-QHCPKHFHSA-N 493.560 5.133 30 20 JKED COc1ccc(-n2c(-c3ccccc3)nn(CN(CCC#N)Cc3cccnc3)c2=S)cc1Cl 915795735 ISFPJYZNJMEIDD-UHFFFAOYSA-N 491.020 5.501 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)S1 915848564 ZIGNJSTXBNRODX-RIYZIHGNSA-N 482.197 5.426 30 20 JKED CCOc1ccc(NC(=S)NN=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)cc1 915925784 AMVLYFMJDFPQGD-UHFFFAOYSA-N 474.011 5.200 30 20 JKED Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 916056778 HWRPDETZDBLZOA-SFHVURJKSA-N 450.838 5.373 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)cc(Br)c1OCc1ccccc1 916152090 PLGPMIUUQCNMFO-GHXNOFRVSA-N 478.342 5.835 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F 916204543 AFYCGPGVCVLUJL-IBGZPJMESA-N 479.499 5.747 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccn2)cc1 916214909 QIVWYQIDFWRPBP-RUZDIDTESA-N 496.592 5.404 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)cc1 916215466 WHKWWPCSKBNFTF-QFIPXVFZSA-N 495.004 5.213 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2csc(-c3cccc(Br)c3)n2)cc1 916546350 MRPSLPKWMPOUQE-UHFFFAOYSA-N 490.839 5.992 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916905044 IHVKXFPJPQYFMD-KRWDZBQOSA-N 483.380 5.723 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1Cl 916938892 OSWWULWDZFZJDU-NRFANRHFSA-N 474.900 5.635 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1Cl 916941104 OYGSHDRIGQXTCY-OAHLLOKOSA-N 492.746 5.591 30 20 JKED COc1ccc(CSCC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 916975459 ZWBWYPAMSMAYRP-QGZVFWFLSA-N 453.545 5.145 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1sc(Nc2ccccc2)nc1Cl 917029447 JDGBBHZZSSDFAQ-UHFFFAOYSA-N 456.984 5.368 30 20 JKED CC(C)C(=O)Nc1nc(CC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cs1 917029964 DBHIRLBTPDMJAK-XHBUVVKHSA-N 468.648 5.081 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)c2)cc1 917343727 DDUXKSQUIBPPNK-UHFFFAOYSA-N 470.529 5.482 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)c1 917678594 ZRWOBDPWKRWHFN-ZDXQCDESSA-N 494.636 5.030 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nc(-c2ccncc2)cs1 920269280 SSPHZNDFVMRMMJ-AWEZNQCLSA-N 487.429 5.572 30 20 JKED Cn1ccnc1[C@@](O)(CC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)C(F)(F)F 920863642 TVQIVJSESATSKY-IBGZPJMESA-N 491.363 5.149 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2cccc(C(=O)N3CCCCC3)c2)cc1C 920893632 XZSXPWLFNJASRZ-UHFFFAOYSA-N 470.573 5.064 30 20 JKED C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1 1469267528 ZVGHRPJSBQHORO-JTQLQIEISA-N 457.330 5.125 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc3)CCC2)cc1 1785790949 UOCOREISTOTJPR-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)Cc4n[nH]c5cc(Cl)ccc45)CCC3)cc2)cc1 1785882785 DDDTWXUXEBFFOH-UHFFFAOYSA-N 497.986 5.007 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)cc4F)cc3)CCC2)C1 1785957905 CTARXSKDTSZYQQ-UHFFFAOYSA-N 457.343 5.302 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ncc3Cl)CCC2)cc1 1786391193 KBKTVXCDONGCAD-SFHVURJKSA-N 496.858 5.200 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCC1)C(F)(F)F 1788508818 BWTOTQIPMZKJSR-UHFFFAOYSA-N 490.913 5.416 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5[nH]4)cc3)CCC2)c1 1788918328 DTQXXVVNNYWOAV-GOSISDBHSA-N 463.541 5.251 30 20 JKED C[C@H]1CCc2c(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5Cl)CCC4)cc3)n[nH]c21 1789009845 YBWBYMSJJZQJHR-HNNXBMFYSA-N 473.964 5.046 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cnccc5[nH]4)cc3)CCC2)c1Cl 1789357707 MIXXFLMLLVMEQN-UHFFFAOYSA-N 469.932 5.149 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ccn(C)c45)CCC3)cc2)c(C#N)c1 1790473094 RWRLWIPIYLIUCN-UHFFFAOYSA-N 492.579 5.049 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H](C)c4cccs4)CCC3)cc2)c(C#N)c1 1790474948 PRFCJFGDRVOTAS-GOSISDBHSA-N 473.598 5.109 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790549126 LVTUWNANVYRFFZ-GMAHTHKFSA-N 483.653 5.582 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3C)CCC2)cc1 1790567617 NSBGUEHFWVKAIV-MRXNPFEDSA-N 486.956 5.105 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(F)c4s3)CCC2)cc1 1790568365 SMIGTXHZVLZDGF-INIZCTEOSA-N 467.566 5.589 30 20 JKED CC(C)N1CCC(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)CC1 1790764385 WWQZZHOGRPETKM-UHFFFAOYSA-N 479.024 5.080 30 20 JKED Cc1cc(C)n2ccc(C(=O)Nc3ccc(C4(NC(=O)CCc5cccc(C#N)c5)CCC4)cc3)c2n1 1791001757 JHFALUFMSWHIEN-UHFFFAOYSA-N 491.595 5.203 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791252309 NSCDAWJQUXVQCW-OAQYLSRUSA-N 497.680 5.760 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)NC3(c4ccc(NC(=O)[C@@H](C)S)cc4)CCC3)cc2n1 1791575628 NOTGFNBNBVTDRE-OAHLLOKOSA-N 453.995 5.263 30 20 JKED CC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1 1792123795 CGPVJMZHHYAIEM-IBGZPJMESA-N 480.568 5.334 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cnccc5[nH]4)CCC3)cc2)c1 1792125375 XCSMQNLWEDMULQ-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3csnc3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204098 KVTLJWLYCINPNC-HXUWFJFHSA-N 498.649 5.059 30 20 JKED CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)CC1 1792221624 WYXUDAUTLSEFRW-UHFFFAOYSA-N 496.652 5.098 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@]4(C)CCCN(C(=O)OC(C)(C)C)C4)cc3)CCC2)C1 1792281520 GGOINPZZIVGLLL-HHHXNRCGSA-N 481.637 5.124 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792335316 WXDZZNNTIMRCGR-HUVFLSCGSA-N 493.648 5.287 30 20 JKED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1793585662 RLVFQMUWFRSVSR-HLRQEUIKSA-N 492.582 5.596 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c3ccccc3n3ccsc13)C2)c1ccccc1 1798556146 UXCHYXFWRNJXKO-KIHHCIJBSA-N 495.648 5.603 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799146088 MSVYEIYJMJYVSZ-WKCHPHFGSA-N 459.615 5.342 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1F 1799646024 JNISZMDCCOORGH-MUJYYYPQSA-N 488.403 5.429 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2oc(-c3ccccc3)cc2[nH]1 1801078971 BYQZRHKKYHGMPK-PHUPPOLUSA-N 499.592 5.180 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)cc3)CCC2)c1Cl 1801551295 JDVPSBZGGZALQM-WKCHPHFGSA-N 482.411 5.239 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)CC1 1805937479 CVUPBRPEDBEPFI-UHFFFAOYSA-N 486.525 5.471 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1807846718 XJGSDEYUNVOWPW-LSYYVWMOSA-N 496.655 5.764 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808546998 SLCZPKXIOMHPAX-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808829621 WFDBFMDAQPOQNL-ARNLJNQMSA-N 486.641 5.293 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)C1)c1ccccc1 1809162203 LYMFWALKLLORDN-AJTFRIOCSA-N 487.644 5.242 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(CC#N)cc3)CC2)C1)c1ccccc1 1809162854 OMHJOINRJYCERS-YIXXDRMTSA-N 471.645 5.427 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccccc4Cl)C3)CC2)cc1C#N 1809228116 PYDJQRVXRFZRNM-UHFFFAOYSA-N 494.035 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1810502466 JDLAALVFDAOUDM-XTEPFMGCSA-N 498.671 5.801 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1811287307 UEMGXSHPJGLNRD-XMSQKQJNSA-N 494.567 5.080 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1811689611 LMMLSWLAAVRNHZ-NVQXNPDNSA-N 498.652 5.243 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811868499 KFDCNXPYMAENDN-NFBKMPQASA-N 498.549 5.284 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[C@@H]1c1cccnc1 1812449058 UDUWDPXOBLIJBP-RHDWJPPYSA-N 487.566 5.208 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c1Cl 1813862057 UKVHRGRJZNOOST-HXOBKFHXSA-N 497.357 5.033 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)[nH]n1 1814743351 KYYOEVAAKWXEQD-FQEVSTJZSA-N 489.988 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)n[nH]1 1814926299 UYJYRCOUYPLLHQ-FZONSQQESA-N 468.548 5.252 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cccc4ncccc34)n[nH]2)c1 1815181745 XTKWMYYUNSHOSM-SIBVEZHUSA-N 492.583 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)oc2C(F)(F)F)n[nH]1 1816469062 LWPKRMUYALLSHZ-QAPCUYQASA-N 464.488 5.404 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1819305831 OYHMQAJSFCWIQP-UTKZUKDTSA-N 491.558 5.885 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)[nH]n1 1819311131 NAIWYUYFNCXFTM-URVUXULASA-N 499.656 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)[nH]n1 1819554894 SMVYTWRTWVOKIJ-IBGZPJMESA-N 451.596 5.318 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)ccn1 1821151032 CJZHCZOXRSOSIE-MHZLTWQESA-N 489.579 5.133 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[nH]n1 1822391360 CMHLCADFGHRFFC-XMMPIXPASA-N 480.572 5.062 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1822581962 VRANTFABXPMKJH-FQEVSTJZSA-N 452.942 5.309 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(OC)c2)n[nH]1 1823259429 XQHJFBHWVJPCRR-HXUWFJFHSA-N 458.990 5.370 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)n[nH]2)c1 1823300484 MNRBNTXHIZOWLT-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n[nH]1 1823301421 VTVWFRGQGZRYBH-MRXNPFEDSA-N 474.405 5.085 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC3CC3)c(F)c2)n[nH]1 1823321536 FUUYEAKELLICNX-REWPJTCUSA-N 480.584 5.412 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1)c1ccccc1 1824329280 IUMINWIQEWGECE-UIOOFZCWSA-N 484.631 5.629 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1824861976 PYJVGXSMYVUBPC-ONDZYYNLSA-N 490.619 5.220 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825434804 OYZSJQILIDANIB-MUUNZHRXSA-N 489.660 5.692 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)oc3C(F)(F)F)CC2)c1 1825961506 WSRAHVBACKSWNI-QFIPXVFZSA-N 487.522 5.334 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827519047 BAVZCGPIGKWPLI-HXUWFJFHSA-N 477.983 5.574 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1)c1cccs1 1827681007 BJSLVDPBORXHOB-XDQPBUEKSA-N 494.632 5.050 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nscc23)CC1)c1cccs1 1827683864 MFBGTBLRWIOSKJ-CZQLGGELSA-N 493.654 5.030 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3oc4ccccc4c3C)CC2)c1 1828127809 MPSCMWYOELDOAQ-VWLOTQADSA-N 469.585 5.468 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1828827298 UWZCVLKRIQRYMP-FPOVZHCZSA-N 497.989 5.756 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2OC)CC1 1828829505 IMIMEERPJHVFCW-REWPJTCUSA-N 459.030 5.350 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829410292 JGQYAJTUYDQZIG-QGZVFWFLSA-N 493.904 5.199 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(OC)c2)CC1 1829678021 WGJBHIVZDFFIMO-CJFMBICVSA-N 453.627 5.017 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccn(-c4ccccc4)n3)CC2)c1 1829783206 YHQRVVUGKMRMLX-RBISFHTESA-N 495.627 5.046 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)CC2)c1 1829908484 ZSTXXNHUWICNFU-AREMUKBSSA-N 482.584 5.226 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1830100153 XWQILXOTFMESRE-MUUNZHRXSA-N 487.644 5.213 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)cc1 1830481445 KBGQJFMTCPYGFF-RUZDIDTESA-N 481.999 5.217 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3O)CC2)c(Cl)c1 1830957855 WTBRCYVSAQTLID-HSZRJFAPSA-N 491.975 5.211 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1831443831 AUHYUJXPQHUDKB-HXUWFJFHSA-N 489.390 5.203 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1831598346 RMKUFCATRITKQG-SDQWYYNMSA-N 492.685 5.473 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccc(F)cc1 1831752727 MFLIJMUMFZLKKT-IZLXSDGUSA-N 489.635 5.565 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)CC1 1832170648 QCTYVBISSAEQGA-XSBJJCPUSA-N 497.524 5.063 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1832548873 WZXGYIJUDYOXFX-QFIPXVFZSA-N 467.972 5.206 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)ccc(F)c1F 1832615798 DGFDPNJPXMYFJS-VWLOTQADSA-N 479.571 5.011 30 20 JKED C[C@H](c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)cc1)C(F)(F)F 1832787831 GVHNBVWBEYGXID-AUSIDOKSSA-N 489.582 5.208 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)C3(c4cccc(Cl)c4)CCCC3)C2)c1 1846306425 FMLZQQOMUMNAOU-HXUWFJFHSA-N 476.020 5.296 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C3)c1 1846830262 OXBXVRSPOZHTRP-OAHLLOKOSA-N 475.898 5.117 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c1 1846833222 WZGCMGIOFWRSDW-AWEZNQCLSA-N 476.791 5.405 30 20 JKED C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2scc(-c3ccc(C)cc3)c2c1=O 8649381 BATGCLWLMHFYCK-MRXNPFEDSA-N 486.622 5.709 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 10173817 CJHWFUGITPYWLF-UHFFFAOYSA-O 462.378 5.436 30 20 JKED COc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 11508400 QDVOPCYWBBGOGJ-CQSZACIVSA-N 481.599 5.205 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)n(C2CCCC2)c1C 12474481 IACWXXZNXXIWSI-UHFFFAOYSA-N 474.634 5.340 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2CCc2ccccc2)cc1 12746034 NENUEIBUHQMLHV-IBGZPJMESA-N 483.597 5.187 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1 14426585 ZNCOZKRACVLXDQ-UHFFFAOYSA-N 469.006 5.899 30 20 JKED C=CCOc1c(Br)cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1OCC 15503291 IVAHJVKMXBLBED-HXOBKFHXSA-N 487.394 5.158 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1OC 16863495 HVMSISRCPDLDGH-CQSZACIVSA-N 462.497 5.278 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 17042965 LUMQEDQIGVBXCR-AWEZNQCLSA-N 483.590 5.264 30 20 JKED Cc1nc(-c2cccs2)sc1/C(O)=N/c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 17369464 JAKWNYGEXRVJLH-UHFFFAOYSA-N 492.585 5.014 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)N(CCC#N)CCC#N)n2C2CCCCC2)cc1 21227769 IMJGDXYKNCBITN-UHFFFAOYSA-N 478.666 5.496 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)CCc1ncc(-c2ccccc2Cl)o1 21400073 ZZAWQNLWKDZQAV-UHFFFAOYSA-N 475.726 5.566 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Br)c2)cc1 22732560 SWTIAJUSFOXOPI-UHFFFAOYSA-O 491.381 5.132 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 25638554 YYDCRYBPARGWDT-SSOJOUAXSA-N 480.659 5.155 30 20 JKED CCOc1ccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 27155430 GWFDZIPHXVXWBR-DEOSSOPVSA-N 467.569 5.328 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccccc1C(C)(C)C 29841058 GXHYIGCSYCMIEX-UHFFFAOYSA-N 454.571 5.211 30 20 JKED COc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OCc1ccc(Br)s1 32244155 SVAOHAMIFFWRGM-CQSZACIVSA-N 471.376 5.461 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2sccc2c1=O 36799813 KGCRFEWSLKLQNJ-UHFFFAOYSA-N 459.902 5.047 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@H](C)c1cccc2ccccc12 45442164 DWPNWXQITLTKQK-GOSISDBHSA-N 476.577 5.305 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 45599333 RQFFJFWALDMYKI-AWEZNQCLSA-N 496.637 5.186 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)ccc1Cl 45645290 VOYCZZOASSMGLQ-UHFFFAOYSA-N 460.390 5.136 30 20 JKED C=CCN(C(=O)c1cc2cnn(C(C)C)c2nc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 105287317 ICHPRYGSBXYVAC-UHFFFAOYSA-N 486.428 6.584 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccco3)n2Cc2ccccc2)sc2c1CCCC2 105430772 GOVGEAGWOUHHNA-UHFFFAOYSA-N 489.626 5.519 30 20 JKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2cccc(OCC#N)c2)cc1 107965054 BQPBKUUJDBXSSG-JZJYNLBNSA-N 461.521 5.885 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 195557367 XJHCNXIBKVKZFY-OAHLLOKOSA-N 456.449 5.405 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC)[C@H](C)C(C)C)ccc1Cl 195716349 UZOMMHFQRKQCHA-QGZVFWFLSA-N 483.461 5.881 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)nnc1-c1ccncc1 255930201 ZWQFXIAAOPRPTR-CYBMUJFWSA-N 478.628 5.818 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2-c2ccc(Cl)cc2)cc1 255935136 VPBNTOFSZKPPDH-INIZCTEOSA-N 489.988 5.587 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 301196965 LHZUJPPEYUZZCQ-UHFFFAOYSA-N 454.555 5.162 30 20 JKED N#CC1(NC(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)CCCC1 410253806 DHKQEHNAUSSKFM-UHFFFAOYSA-N 458.509 5.148 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4c(cnn4-c4ccccc4)C3)cc2F)c1 481691184 WABJGABIRDIZTG-UHFFFAOYSA-N 467.504 5.052 30 20 JKED COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)cc1 485256955 MOGVHRMDZKERRA-UHFFFAOYSA-N 497.576 5.428 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 490428729 DGMBHQLBKCWINJ-UHFFFAOYSA-N 466.497 5.247 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)c2)cc1 500137053 YLFBJYJDNYJXCR-UHFFFAOYSA-N 482.515 5.980 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 500986153 TWHZHVMQIMCOJI-QHCPKHFHSA-N 465.022 5.214 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 501158840 GBMMOCPOMRXVCJ-UHFFFAOYSA-N 473.935 6.480 30 20 JKED C=CCN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 503103246 NWRXQOYFDJAQSC-UHFFFAOYSA-N 492.569 5.265 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 505021871 YFJXLYNBSOKHKM-OYHNWAKOSA-N 486.403 5.216 30 20 JKED N#Cc1ccc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)nc1 505465879 YZWKIFDOTGEQPZ-UHFFFAOYSA-N 460.559 5.541 30 20 JKED CN(C)S(=O)(=O)c1ccc2oc(SCCC(C#N)(c3ccccc3)c3ccccc3)nc2c1 505779561 YAQZFCDKMBHRLO-UHFFFAOYSA-N 477.611 5.070 30 20 JKED CCOc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 506886782 YDUHBMSVUOSXLV-ZDUSSCGKSA-N 457.552 5.339 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)cc2Cl)cc1 508292213 MFDZYOHIYFHRIB-UHFFFAOYSA-N 499.958 5.475 30 20 JKED Cc1ccccc1-c1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c2cnn(C(C)C)c2n1 508934311 RSMUSLBWHBOSDY-UHFFFAOYSA-N 480.616 5.063 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1c(C)nc(-c2cccnc2)nc1O 509344813 PFVXGFDZORCWMS-UHFFFAOYSA-N 465.513 5.096 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511338545 RWTQWFJGLFAWTB-AREMUKBSSA-N 471.557 5.718 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC(F)F 513876666 PWIRZFJTHDQENF-UHFFFAOYSA-N 467.472 5.633 30 20 JKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c3c(C)noc3n2)c(C)o1 515539075 IDDJPPHYJCOQDC-INIZCTEOSA-N 462.918 6.161 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 516244382 JSXYIRDKCGLLMQ-UHFFFAOYSA-N 462.512 5.160 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 517474038 LDDRHHJILVFJOW-JPYJTQIMSA-N 473.577 5.990 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 518047935 MNPPEDCHDOEYTM-UHFFFAOYSA-N 499.617 5.904 30 20 JKED C=CCN(C(=O)C[C@H]1CCCc2ccccc21)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 518111450 CXELTXICQGUYNB-HXUWFJFHSA-N 466.628 5.243 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1SCCC#N 518120985 XFQNYSDOEMRERE-OAHLLOKOSA-N 458.008 6.261 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 518753302 LFZZNWLTNRKEPI-KRWDZBQOSA-N 497.024 5.134 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cs1 520607675 UCNKECURNJWMCC-UHFFFAOYSA-N 458.499 5.142 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 523380775 KJDYUUZBTCTRBL-IEUSDUHPSA-N 451.570 5.143 30 20 JKED Cc1nc(SCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2c(C)c(C)sc2n1 603449277 MFNZUSWECZFPKF-UHFFFAOYSA-N 498.684 5.363 30 20 JKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCC(=O)NC(C)C 603759093 UDCIBNGKHCCJLT-JOCHJYFZSA-N 491.975 5.160 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1Cl 603765962 GJGKKQIAFIFSAA-HSZRJFAPSA-N 459.933 5.361 30 20 JKED Cc1nc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)sc1SCC#N 603775505 KYDYCRXWLUYDTE-FYWRMAATSA-N 458.568 5.948 30 20 JKED Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1F 603896706 ZPNGVKGXIXFLLD-UHFFFAOYSA-N 459.433 5.275 30 20 JKED N#Cc1ccc(CN(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C2CC2)cc1 608994218 WOWIXZCGTCCTAZ-UHFFFAOYSA-N 487.400 5.637 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)cn2)cc1 608994992 XHHOFIKJKKXNDR-NRFANRHFSA-N 452.873 5.143 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NC(=O)c2cccnc2)c1 609061202 LZHCKQGXKYTJHE-UHFFFAOYSA-N 462.509 5.345 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209195 DAEKXNHIKXFZPH-UHFFFAOYSA-N 469.520 5.976 30 20 JKED C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 609221898 JJQOYYQVDSXROU-SFHVURJKSA-N 482.565 6.103 30 20 JKED N#Cc1ccc(CNC(=O)c2cccnc2SCc2cccc(Br)c2)c(F)c1 609228756 FFTAEPFYPYUINT-UHFFFAOYSA-N 456.340 5.077 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)CCOCC2)cc1 609435322 GRXPSTDAQSLLKW-LJQANCHMSA-N 453.608 5.349 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)nnc1-c1ccoc1C 613907264 CQGWHCONODQDMO-UHFFFAOYSA-N 481.603 5.204 30 20 JKED C=CCN(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 614509507 GMSVNGZFHDJBDJ-DEOSSOPVSA-N 494.620 5.440 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OCC)c2)nnc1-c1ccc(Cl)cc1Cl 614947496 RYFXAIBRSLSWQG-UHFFFAOYSA-N 463.390 5.567 30 20 JKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618607946 FMJDPWXMHCAKPY-VXGBXAGGSA-N 494.354 5.022 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)n1Cc1ccco1 621294208 WIRLIJROWAGFID-LJQANCHMSA-N 478.643 5.652 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccco1 670476858 CVAPUCZUGHQDLD-JTQLQIEISA-N 457.770 5.804 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nc2sc3c(c2c1=O)CCC3 677549109 CYTNYYKKOIKKBZ-UHFFFAOYSA-N 477.611 5.051 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3cccc(Br)c3)CCC2)cc1 726314340 HWOLSXQHFJSOHU-QHCPKHFHSA-N 488.385 5.239 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(F)cc1C(F)(F)F)c1cccs1 726417184 ZDXMEGHOSMBODZ-IVRYXPQXSA-N 499.555 5.136 30 20 JKED O=c1c(C=NNc2ccc(OC(F)F)cc2)c(Sc2nc3ccccc3s2)nc2ccccn12 726426772 GHCLBYALNOOSBX-UHFFFAOYSA-N 495.536 5.503 30 20 JKED C#Cc1cccc(NC(=S)Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)c1 726480990 VJAIWEGKGYXWOT-UHFFFAOYSA-N 453.489 6.056 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 726698084 WXDZSPQLXQJCFV-UHFFFAOYSA-N 478.499 5.742 30 20 JKED CC(C)(C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1cccc(Br)c1 726734395 ODRBARZZXWJWIH-AWEZNQCLSA-N 461.331 6.005 30 20 JKED O=C(Nc1cccc(SC(F)F)c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 727598328 XUGZDMQMGZTFAT-UHFFFAOYSA-N 453.383 5.051 30 20 JKED COc1cccc(-c2nc(COC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cs2)c1OC 728109677 CDEAKXLLEKHSSX-UHFFFAOYSA-N 476.510 5.228 30 20 JKED O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728115947 CIHGLOKBJZFSLQ-MRXNPFEDSA-N 450.354 6.155 30 20 JKED Cc1ccc2c(c1C)OC[C@H]2N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 728424601 FFKJRBWJHJZIIW-RPWUZVMVSA-N 496.592 5.269 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCCCC#N 728777277 JXDQQNTVECOCOZ-FQEVSTJZSA-N 490.963 5.581 30 20 JKED C[C@@H](c1cccc(N=Cc2cc(Br)cc(Br)c2O)c1)N1CCOCC1 729148700 DGLQFEXEEFKHRS-ZDUSSCGKSA-N 468.189 5.061 30 20 JKED CCOc1cc(/C=C(\C(=O)c2cccc(OC)c2)c2ncc[nH]2)cc(Br)c1OC 729240532 SMYCGWZVNCRGHU-LICLKQGHSA-N 457.324 5.012 30 20 JKED CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 729562275 SKDBJIFWZILRLN-HXUWFJFHSA-N 450.539 5.214 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ncccc3C)C2=O)c1 729630622 BSFOJAKEGRMHMX-XMMPIXPASA-N 488.613 5.176 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccccc2F)cc1 729668340 HSGRDRJJJAHNNF-UHFFFAOYSA-O 469.558 5.447 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccnc2Cl)c1 729694872 QYGOSDBXBUHNQG-UHFFFAOYSA-N 477.369 5.127 30 20 JKED N#CCn1c(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc2ccccc21 729769566 TXGBJSUOYJRIPU-HSZRJFAPSA-N 488.887 5.263 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2c(C)noc2C)cc1 730443570 FVBMGJHCDQXKKU-DEOSSOPVSA-N 490.629 5.365 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3cccnc3)C2=O)cc1 730942276 KZZKLACWTDLUPF-CYFREDJKSA-N 488.613 5.510 30 20 JKED Cc1[nH]c2ccccc2c1CCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731306007 IMVRMIXBPLFLOR-RUZDIDTESA-N 498.608 5.385 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@@H](C)c3ccccn3)C2=O)cc1 743526312 VIJGYFSGCSWYKE-MBSDFSHPSA-N 476.577 5.559 30 20 JKED CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1=O 744767152 YZXVDRCGBVBTPJ-RUZDIDTESA-N 495.366 5.437 30 20 JKED C=CCN(C(=O)c1ccn(-c2ccccc2Cl)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 747622349 CCQDOSJDYPMOOW-UHFFFAOYSA-N 465.922 5.390 30 20 JKED Cc1nc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nn1-c1ccccc1C(C)C 750208868 UHUNUJINXMIJKO-INIZCTEOSA-N 491.617 5.085 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799209662 AMANWNRQBYEBOL-LJQANCHMSA-N 475.467 5.502 30 20 JKED CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 814297767 SFBXZYOCPNHZJC-PDGQHHTCSA-N 458.406 5.205 30 20 JKED COc1ccc(-c2nc(SCc3csc(-c4ccc(Cl)cc4)n3)nc(O)c2C#N)cc1 824948019 OAFITLNYXXKSON-UHFFFAOYSA-N 466.975 5.799 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1 837742227 ROFWEYFYOHFHJH-BTYIYWSLSA-N 466.513 5.081 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)c(F)c1 883978106 GAHILYZWYYAUCL-VXGBXAGGSA-N 454.411 5.769 30 20 JKED CCOc1cc(/C=C\C(=O)c2cc3cc(Br)ccc3o2)ccc1O[C@H](C)C(=O)N(C)C 916130112 IDOLFLKOVQLRIJ-WUKHSURWSA-N 486.362 5.346 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccccn3)C2=O)cc1Cl 916206759 VIHOELDOCRFQJB-NRFANRHFSA-N 482.968 5.343 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2C[C@H]2CCCO2)cc1 916214300 LUUJSUFQDYSSHC-ZJSXRUAMSA-N 495.645 5.177 30 20 JKED O=C(/C=C\c1ccc2c(c1)OCO2)C(c1nc2ccccc2s1)c1nc2ccccc2s1 916845007 NCLVBPRTVJLGGY-LUAWRHEFSA-N 456.548 6.049 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2)c1 916849095 RXNJAWQQTHXDLS-JOCHJYFZSA-N 456.523 5.109 30 20 JKED N#C[C@H](C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)Nc1ccc(SC(F)F)cc1 916886863 KZWPWUTWZDEBNW-GOSISDBHSA-N 458.461 5.681 30 20 JKED COc1ccc2cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)ccc2c1 916887685 PVNSYQSRCQIPRQ-OQCLPQHESA-N 452.482 5.524 30 20 JKED COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1Br 916906956 WPGMQBMRGSRVRM-QGZVFWFLSA-N 465.303 5.211 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)cs1 916910211 RXERHAUZKDZGIA-QHCPKHFHSA-N 499.617 6.497 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)cc1 916942031 DKBLIFZWCIBHGM-ZDUSSCGKSA-N 461.326 5.346 30 20 JKED Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976302 AZBHKXPIOMQDKO-NHCUHLMSSA-N 466.006 5.793 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997859 YZSNHBDXOLFQMK-HNAYVOBHSA-N 499.423 6.237 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2sccc2Br)cs1 917560544 QKEFITXEMOSRNL-DAXSKMNVSA-N 451.342 5.687 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 917601107 IMDOXVXYQSHKBS-UHFFFAOYSA-N 461.326 5.715 30 20 JKED COc1cc(/C=C2/COc3c(C)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 920066714 JNTHELDJXUIPSM-PDGQHHTCSA-N 463.917 5.333 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 920105655 CCAQYWGTESQWEO-XJKSGUPXSA-N 453.976 6.103 30 20 JKED N#C[C@@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 920875180 QUQALZOAHMWIPY-QFIPXVFZSA-N 485.540 5.555 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C 921131269 IJQSVAJMTWAOST-LLVKDONJSA-N 480.398 5.765 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)CCC1 1786201601 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1790067669 HPDRAELDNWBCPL-UHFFFAOYSA-N 457.555 5.047 30 20 JKED CC(C)c1csc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)n1 1790834361 CVWAVQGPPWUWPA-UHFFFAOYSA-N 484.585 5.076 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)c1 1790858358 BIKCKRZIUKSDLN-UHFFFAOYSA-N 476.536 5.177 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)cc3)CCC2)c(C#N)c1 1791323521 ISCOIQDYDZIAKE-URVUXULASA-N 471.601 5.070 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)cc2)CCC1 1791478092 SQMABIVYBFQYOY-LEWJYISDSA-N 453.380 5.263 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)COc3ccc(Cl)c(Cl)c3)CCC2)cc1 1791582432 YBENMEFZGDLQAC-UHFFFAOYSA-N 459.373 5.310 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)CC4CCCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682188 UIDHPFYTVZBZIN-QHCPKHFHSA-N 481.637 5.266 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC(c5ccccc5)=NO4)CCC3)cc2)c1 1792122526 BTQDTVAUPWOKGU-CCLHPLFOSA-N 492.579 5.255 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4=CCCS4)CCC3)cc2)cc1C#N 1792169772 ZADPZEZGMJKARP-UHFFFAOYSA-N 461.587 5.114 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3)CCC2)cc1)NC(=O)OC(C)(C)C 1792206941 YABALCXUSWOINF-HSZRJFAPSA-N 495.595 5.433 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CC3(C)CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792381557 FOESRZAZSVUICM-QHCPKHFHSA-N 495.664 5.536 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)sc1Cl)C2 1798420384 BSYPHQSPWNYEID-MUJYYYPQSA-N 471.526 5.358 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(-c2ccccc2)cn2ccccc12 1799193137 ASDNDPLCRHDYCH-BKFWDETESA-N 453.586 5.052 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(c2ccnc3ccc(F)cc23)CC1 1799883690 BZJFXAXDVDTQRG-FBLMIPHFSA-N 491.651 5.888 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1802500766 OLBVVRNKEIKQES-WMZHIEFXSA-N 477.630 5.314 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c[nH]c(-c4ccc(F)cc4)c2)C3)c1 1803673830 XEHSYGRYTBCOKT-FHTWRSQISA-N 470.548 5.013 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)CCCC(F)(F)F)C2)CC1)c1ccccc1 1806542637 MNQORFCHNOVLEU-QFIPXVFZSA-N 462.556 5.147 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@H]1c1cccnc1 1808577824 LPYMUAXKANHAON-FXAWDEMLSA-N 498.496 5.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCc4c[nH]c5ccccc45)C3)CC2)c1 1810121418 FBHQKQHVPABGLZ-JOCHJYFZSA-N 482.628 5.273 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1810171698 GYODCOOYNJVDDH-TZBSWOFLSA-N 457.574 5.224 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1811539298 QRORRLPFYSYGGV-DLNIMUOOSA-N 467.613 5.589 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1811695917 VJMNXNVPWYPCHC-OUTSHDOLSA-N 497.664 5.497 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1811821845 MMMJECIZDRUUCB-OFNKIYASSA-N 472.416 5.476 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCc2cc(C)cc(C)c2)[C@H]1c1cccnc1 1813242750 NZPJMMITMBLFSJ-STROYTFGSA-N 459.634 5.105 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3CCC(F)(F)C3)n[nH]2)cc(C(F)(F)F)c1 1814388885 JXRTZVTXHQIESS-KDOFPFPSSA-N 495.452 5.041 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](c3ccccc3)C(C)C)n[nH]2)c1 1814930769 BRVFCVYHTMHRMS-RSXGOPAZSA-N 485.588 5.036 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1815214952 KHTRNWPBJXIGGC-YOEHRIQHSA-N 472.998 5.175 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C(F)(F)F)cn2)n[nH]1 1815905178 SBICZELEXXHDHR-NRFANRHFSA-N 489.542 5.217 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c[nH]1 1816110496 OTNLLFGLGDEWRC-OAQYLSRUSA-N 481.717 5.392 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1816461965 GYJKDIJLHHAILX-QHCPKHFHSA-N 487.604 5.419 30 20 JKED Cc1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)cs1 1816579252 QUJPMMZVLMUUFL-VWLOTQADSA-N 495.608 5.194 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)cc1 1818450854 MZODUBTWZJLJGU-AREMUKBSSA-N 477.568 5.373 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(F)c(F)c3)CC2)[nH]n1 1819308004 SFTZTKASCONJRJ-XMSQKQJNSA-N 468.548 5.180 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)[nH]n2)c1Cl 1820218376 SYCDIBUEAMKTBT-NRFANRHFSA-N 491.954 5.112 30 20 JKED C=CC[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c4ccccc4n4ccsc34)sc2C1 1821191020 IZXZJIKEMRRYFE-GJZGRUSLSA-N 464.616 5.049 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)[nH]n2)c1 1821275308 FZYOWGKIEJMQDB-QFIPXVFZSA-N 490.926 5.175 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[nH]n1 1823418914 UUXZUDVUMDMYIK-OAQYLSRUSA-N 495.505 5.210 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)cc(Br)c3)CC2)C1 1823704790 TYCSDMJABSTQDO-OAQYLSRUSA-N 479.846 5.302 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1824508326 JJXOMTPGZVSMCK-GJZUVCINSA-N 476.617 5.303 30 20 JKED Cc1ccc(CSCCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1 1824545177 UYXHZYODCZCXEZ-UKILVPOCSA-N 476.752 5.192 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCCC2)CC1 1824761297 QCCBOPKEGAQSTM-GOTSBHOMSA-N 489.701 5.046 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)CCCCC)CC1 1824761394 UIPGZFQLYXNCGT-OEMFJLHTSA-N 491.717 5.292 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCC([C@@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826679366 BTIMUVOAEDUVFA-KRWDZBQOSA-N 468.413 5.030 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827519991 OVBNYIDFDOQBKY-HTAPYJJXSA-N 456.030 5.575 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827683974 SIPDESCLUOHRKB-UPWIVDSGSA-N 464.631 5.037 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828507866 FETDVEXRLFHNMF-XMMPIXPASA-N 481.434 5.249 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1828772341 BTYQSWAJMHQCRW-YKSBVNFPSA-N 495.714 5.353 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1828827391 WRAOBWFSKOEXSZ-AOYPEHQESA-N 499.655 6.430 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(NC(C)=O)c2)CC1 1829068584 GGUGAFJPNMCGLF-RUZDIDTESA-N 467.654 5.179 30 20 JKED Cc1ccc(OCCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829685687 MYFCVEYRHBEWGU-RUZDIDTESA-N 494.035 5.223 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3F)CC2)c1Cl 1829689327 ATJPUSGETPKEAU-NRFANRHFSA-N 471.935 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689906 CNTKCDCHGJTLSG-FYYLOGMGSA-N 454.014 5.213 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1830411021 KKGOXKREDGXAID-OPXMRZJTSA-N 490.088 5.500 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830531323 BCQAVPGFXNHMAS-GOSISDBHSA-N 482.440 5.420 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cc(OC)cc2C)CC1 1830695157 KMHWCMOIGJNSEB-LOSJGSFVSA-N 452.639 5.314 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830738191 YTLVIYXNBNFHJN-VOZXZEHESA-N 494.394 5.078 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)c1 1830765541 RQCRVMMXUNREAN-VWLOTQADSA-N 481.999 5.135 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c(C(=O)O)c(C)c2)CC1 1830811942 XUDNGIWBJMMKQL-BJKOFHAPSA-N 466.622 5.003 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830979691 IETTUKYZHCFKJN-DENIHFKCSA-N 469.651 5.244 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(OC)c2C)CC1 1831714901 UIQRPMHTHLDFQQ-XMMPIXPASA-N 454.655 5.158 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)S)CC2)c2ccccc12 1831847403 FRGILRPBVZGVIS-NBGIEHNGSA-N 452.664 5.019 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1831924091 CJYSYMIANNBBEC-PBWSGDRGSA-N 476.661 5.255 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2F)CC1)c1ccc(O)cc1 1831926502 SWZOJHLUPQBSKB-AJTFRIOCSA-N 494.582 5.101 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832562644 WLSSIGZXDIAVRK-UWJYYQICSA-N 467.437 5.126 30 20 JKED COc1ccccc1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832630023 XDBAUJYEYGLTHI-AMGIVPHBSA-N 487.644 5.188 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@@H](C)Oc3ccccc3)CC2)c1 1832633204 GRHWTTGVPRPNOX-MRJKTFCFSA-N 487.644 5.405 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)nc3F)CC2)c1 1832635243 XXWVLLBVXKGCBU-JTSKRJEESA-N 482.987 5.048 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CC2)CCC1 1832782803 IGAIUQINONWKFG-SANMLTNESA-N 495.627 5.157 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)CCCCCCCCCCC(=O)OC)C2 1844205198 MOWQQIQNGLJXBQ-QHCPKHFHSA-N 460.659 5.032 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CCCC34CN(C(=O)C/N=C/c3ccco3)C4)cc2)cc1 1845298611 XMIYOVWEMVLKGI-ZCTHSVRISA-N 483.612 5.225 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10178993 MNNLGBCGXCOKOM-UHFFFAOYSA-O 464.825 6.548 30 20 JKED COc1ccc(Br)cc1-c1nc(COC(=O)CCc2ccc(C#N)cc2)cs1 12957355 ZPKVIQJBHJXXNV-UHFFFAOYSA-N 457.349 5.129 30 20 JKED CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1cccc(C)c1 14082039 OURODZJCGVKYHX-HNNXBMFYSA-N 451.621 5.062 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15247991 NCGZDAADODLKIM-UHFFFAOYSA-O 485.243 6.947 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)CC1 26982568 ZABHQUOVSNEOQU-JHZJELJQSA-N 462.623 5.173 30 20 JKED CCOc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)ccc1OCc1cccnc1 32291040 VWYJQIFQIMQURO-UHFFFAOYSA-N 479.536 5.762 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)nc2sccc2c1=O 36806255 OLDLVCPZKFGPGV-HXUWFJFHSA-N 490.610 5.015 30 20 JKED CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 107805553 NDPOJEDLFUZEKW-WAIKUNEKSA-N 476.964 5.491 30 20 JKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)c1 108585377 DLDOPHYURVFAEG-UHFFFAOYSA-N 485.613 5.050 30 20 JKED N#Cc1c(NC(=O)CCN2CCCC[C@H]2c2nc(-c3ccccc3)no2)sc2c1CCCCC2 116700048 LGCVLGFQXOFFMV-NRFANRHFSA-N 475.618 5.494 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 195659655 YDTIHBPMRVOJSV-CQSZACIVSA-N 462.720 5.582 30 20 JKED COc1ccccc1/C=C(\C(=O)OCC(=O)Nc1ccccc1SCC#N)c1ccccc1 208745587 DJPUNUQYKXJTON-FXBPSFAMSA-N 458.539 5.033 30 20 JKED C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nc2sc(-c3ccccc3)cc2c1=O 253610288 ZAIXTOUVXNNYIL-UHFFFAOYSA-N 498.589 5.998 30 20 JKED C=CCn1c(-c2sc(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)nc2C)n[nH]c1=S 303128397 ATAPYQVIJRAUBJ-CYBMUJFWSA-N 453.515 5.233 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 303246294 ASLDMKBETPBSFU-INIZCTEOSA-N 476.652 6.341 30 20 JKED C[C@@H]1CN(Cc2cccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2)CCO1 409772931 NROKUWIEKVIKEE-IBVKSMDESA-N 489.019 5.538 30 20 JKED C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccccc2)c1 410304353 VCGMWWVHZXRJOK-GOSISDBHSA-N 465.475 5.370 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 486531234 HALMRIPONRRZOD-UHFFFAOYSA-N 471.413 5.270 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 487022911 CZBIUFLOXWRWKS-LJQANCHMSA-N 482.565 5.536 30 20 JKED COc1ccc(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OC1CCCC1 487324670 PSMVUSRNUFPMFC-UHFFFAOYSA-N 472.589 5.341 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)Cc1cccs1 499156018 FVOMIADRGXROLA-INIZCTEOSA-N 468.022 5.583 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CS[C@H](C)c1nc2ccccc2[nH]1 501157973 CWBIRZFYHVZWNH-GOSISDBHSA-N 458.562 5.910 30 20 JKED CCCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 501524694 RPRVGLRIQILSFT-UHFFFAOYSA-N 468.026 5.664 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1C 501625722 HWEMZSDWMPJRSZ-UHFFFAOYSA-N 461.635 5.435 30 20 JKED N#CCCN(Cc1ccco1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 502525660 AAVFUGMNTQKPLW-UHFFFAOYSA-N 489.373 5.380 30 20 JKED O=C(NCCc1cc(F)cc(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503394863 TXADVFRLTNZVJE-UHFFFAOYSA-N 498.761 5.209 30 20 JKED O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 505505503 IWKXWBKWZFUPQW-PBHICJAKSA-N 457.349 5.335 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 508283157 BZEHIWXIDRKWEC-HXUWFJFHSA-N 476.602 5.454 30 20 JKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cccc(OCc2ccccn2)c1 509664721 KHRUDORYSBFIOH-GOSISDBHSA-N 469.570 5.462 30 20 JKED CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCC(=O)NCc4cccc(C#N)c4)o3)cc2C1 510014582 YQHSMMYKJXNBHA-GOSISDBHSA-N 466.632 5.229 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCSc4ccc(Cl)cc43)s2)cc1 510234405 AZLYUJXTPRDBRR-MRXNPFEDSA-N 474.036 5.714 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 511391945 SGAGMBLDLKTTSS-UHFFFAOYSA-N 455.436 5.552 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511530986 JFZDUERLMLPGGR-RUZDIDTESA-N 454.530 5.578 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)CC2 511541078 RBYFSRBSBARHTJ-UHFFFAOYSA-N 484.556 5.198 30 20 JKED Cc1ccc(C)c(OCc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)c1 514486919 RFDZYOHMQLEUQD-OAHLLOKOSA-N 482.631 5.444 30 20 JKED C=CCN(C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1)c1nc(-c2ccccc2)cs1 514616816 KTBNTRGNXHPXHL-UHFFFAOYSA-N 499.592 5.669 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1nc2cc(Cl)ccc2s1 515540341 LWUPGFWHPINEOC-GHTZIAJQSA-N 473.941 5.382 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4cccc(Br)c4)CC3)c2)c1 515676772 RQTRSEHJGSRXFO-UHFFFAOYSA-N 460.331 5.243 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N[C@H](C#N)C2CC2)nnc1-c1ccc(Cl)cc1Cl 517492404 YFLLSTPNGMOFND-GOSISDBHSA-N 472.401 5.060 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)c2)cc1 517843188 LUXDDGSIKMLLPQ-UHFFFAOYSA-N 484.562 5.489 30 20 JKED C[C@H](Nc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1Cl)c1ccccc1 518227186 ZIUNQKHFJCSELY-FQEVSTJZSA-N 474.992 6.179 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1C 518652850 GZOVNSSOEMHQFV-AWEZNQCLSA-N 469.661 5.881 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)cc(Br)c1OC 518683018 FCWQZOIMNOITLW-CYBMUJFWSA-N 464.385 5.040 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 518757039 UMWUTQFVDRHSSI-JXFKEZNVSA-N 475.536 5.792 30 20 JKED CCCOc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 518789699 VJQCHGAAWKFHKX-LJQANCHMSA-N 460.599 6.139 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1C 518893612 CAFUBFRKGGTUAC-UHFFFAOYSA-N 462.966 5.505 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C 519413096 ATZKJZTURQXLNU-MRXNPFEDSA-N 474.611 5.069 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 520194954 NDTCIYVIFXIJOA-SFHVURJKSA-N 489.967 5.071 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)cs1 520470791 FLBHNVHGDKKIQH-UHFFFAOYSA-N 469.614 5.485 30 20 JKED C=CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 520972849 RJCWWUNTGMOGKW-UHFFFAOYSA-N 459.531 5.109 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1C 521326625 AQTVIUISTDRXFO-SFHVURJKSA-N 459.962 5.834 30 20 JKED C=CCN(C(=O)c1sc(CC(C)C)nc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 524101032 IIBYHJFTYOVNPC-UHFFFAOYSA-N 475.661 5.010 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 524390397 IHEXZTVIMDWCFM-UHFFFAOYSA-N 487.515 5.499 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)nnc1-c1ccc(F)cc1 554218500 IVHHEZGUBVENPF-HXUWFJFHSA-N 456.612 5.033 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)cccc1F 589282132 KXTINHHWDDUEGP-OAHLLOKOSA-N 454.317 5.208 30 20 JKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCc2ccc(F)cc2)cc1 590805809 ADXASDWPRDSEDX-OLMNPRSZSA-N 492.435 6.238 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4sc(-c5ccccc5)cc4C#N)CC3)c2c1C 603967990 DZBVTNMAJBBJKB-UHFFFAOYSA-N 473.627 5.763 30 20 JKED N#C[C@H](Cc1ccccc1)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 603983572 GMBJSBZRCHVDJT-SFHVURJKSA-N 452.370 5.863 30 20 JKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604141528 IVCLCPOHSJIRTJ-JTHBVZDNSA-N 475.976 5.665 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)c1 604537273 RDUWAOHCKWFQFK-UHFFFAOYSA-N 454.530 5.020 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)cc1 604562172 BSXPIENXJIWPPX-HXUWFJFHSA-N 482.584 5.807 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)s2)cc1OC 609027998 KZUNTGGDMRYFDW-QHCPKHFHSA-N 499.592 5.709 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(CCc2ccc(O)cc2)CC1 609078379 MOKJPZJLJDEDGU-UHFFFAOYSA-N 469.585 6.028 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Br)ccc1F 609389490 SOFHTVDROZSRRZ-ZDUSSCGKSA-N 453.402 5.712 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc34)nc3ccccc3c2=O)cc1 619561863 CDLXZIINPJIFKZ-UHFFFAOYSA-N 462.534 5.141 30 20 JKED C=CCn1c(SCc2sccc2Br)nnc1[C@H]1COc2ccccc2O1 620229771 GXIBUFWCNCQYAW-OAHLLOKOSA-N 450.383 5.093 30 20 JKED C=CCn1c(SCc2nnc(C)n2C)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 623759777 CIXKAPQADBWMNP-UHFFFAOYSA-N 467.602 5.384 30 20 JKED O=C(Nc1ccccc1SCC(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642476928 ZJHFTJLHMAZENJ-UWVGGRQHSA-N 468.385 6.372 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 644483191 QQJHVZRXLWDPDK-UHFFFAOYSA-N 489.847 5.157 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](c2ccccc2)C2CC2)cn1 726113314 RIDNAKCZISNXFT-ISKFKSNPSA-N 491.592 5.154 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)S/C1=N/[C@@H](C)c1cccs1 726421094 KMWYOPNQTYKIIO-JTAMSWEXSA-N 478.437 5.086 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCO2 726445381 OPWVORQHUKWUCS-UHFFFAOYSA-N 492.000 5.951 30 20 JKED CCc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(CC)CC)cc2)cc1 726571582 JGARYIZKPGDLRM-UHFFFAOYSA-O 474.650 5.947 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@H](C)c2cccs2)c1 726576364 CUOVAJMGXIEZBI-GOSISDBHSA-O 480.679 5.703 30 20 JKED Cn1c(SCC(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)nnc1-c1cccs1 726826943 PLALBAUDFFDHPO-UHFFFAOYSA-N 474.611 5.079 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCCC2)cc1Cl 726888915 CQXBVVWCRCDXQS-HXUWFJFHSA-N 457.983 5.252 30 20 JKED CC(=O)N(c1nc(C=NNc2ccc(OCC(F)(F)F)cc2)cs1)c1ccc(F)cc1F 727262213 NSNDRSYUQKZWDR-UHFFFAOYSA-N 470.423 5.493 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1cccc(Br)c1 727978234 FAHUXISVPCDFPZ-UHFFFAOYSA-N 452.377 6.017 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 728430154 OGNDNFORRLMTMM-LOBKLCKLSA-N 489.626 5.166 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2coc(-c3ccc(F)c(F)c3)n2)cc1C 728624337 ALDKKWNQOBBPGU-UHFFFAOYSA-N 462.456 5.371 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCO[C@H](c3ccccc3Cl)C2)c1=S 728905089 YDHCIXWGTDFMOC-NRFANRHFSA-N 474.989 5.003 30 20 JKED COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@H](C)C(=O)N(C)CCC#N)c1 729235403 JVBXNLDFNBDILV-VKINRBECSA-N 490.629 5.056 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3ncccc3C)C2=O)cc1 729634620 PBBOGHXAFORNFC-XMMPIXPASA-N 488.613 5.258 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)OCCO3)N(C2CCC2)C1=O)Nc1cccc2ccccc12 730461591 QFZNKDDCXAYYJS-XMMPIXPASA-N 487.581 5.124 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(OC)cc1 730499064 OLBRAXGPRMAFMN-SFHVURJKSA-N 477.558 5.156 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)nc2ccccc21 730684673 BEFBUXRIBOXOCS-UZUQRXQVSA-N 478.321 5.471 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)O[C@H](C)C2 730687918 QJUQSOZIEMDRDU-MHFNLWBJSA-N 496.563 5.652 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730724176 LBTWXLLSQVNANA-QFIPXVFZSA-N 492.507 5.267 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1Cl 730944201 SOSFWWUZDFIOGH-HTAPYJJXSA-N 479.005 5.134 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccccc2Cl)n1 731068876 FUEABIIKZKZYHC-OAHLLOKOSA-N 486.018 5.440 30 20 JKED CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)ccc1OC 734743017 QAUPLHGXKZWBPG-GOSISDBHSA-N 486.977 5.300 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)c1 746696318 MITQXNQFJYDKMY-QFIPXVFZSA-N 467.635 5.387 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 746697913 PRPDARXTWQDBMC-HXUWFJFHSA-N 477.989 5.256 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 748607300 MZFVZRPKVNQNPI-UHFFFAOYSA-N 487.741 5.050 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(CC)cc1 799221257 MVAOBSITTIEITH-SFHVURJKSA-N 460.386 5.149 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 837300931 LWOBGHWBIIMXES-YCRPNKLZSA-N 466.513 5.081 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3OC)N(Cc3cccs3)C2=O)cc1 838525463 VTZSNXKVQAHWRT-QFIPXVFZSA-N 495.626 5.316 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(Cl)c1 901414476 GLNREPXWUDPZEV-DEOSSOPVSA-N 473.001 5.869 30 20 JKED C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[S@](=O)Cc1c(F)c(F)c(F)c(F)c1F 914520646 HOJSWZMEDVZYKG-AQPQDDGYSA-N 479.776 5.330 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccccc2COC(C)C)c1C 914547506 YGTUMAYKZLOYJK-XMMPIXPASA-N 479.646 5.029 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1sccc1C 914558557 ZXJSGJDJPLNNGN-HXUWFJFHSA-N 465.600 5.226 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 914689903 CUUDOXBPBOQLOT-QKKBWIMNSA-N 487.503 5.288 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)Cc1ccco1 914690588 ZYIFXEOGDANPHC-IVZQSRNASA-N 499.539 5.158 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)c1C 915086087 RENSVLONZXQVBT-VWLOTQADSA-N 464.525 5.265 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 915104867 VRVARXPBJPFVSR-RHSMWYFYSA-N 491.922 5.697 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 915580583 QJGKVSIYIOJABM-AWEZNQCLSA-N 467.934 5.018 30 20 JKED CCOc1c(Br)cc(Br)cc1C=Nn1c(S)nnc1-c1cccs1 916314008 KKVBVESVKSNTHH-UHFFFAOYSA-N 488.230 5.101 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2n1C 916844814 DECCXUGQMLWGSX-KRWDZBQOSA-N 452.345 5.102 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 916901971 UMCDWVXRNWQGOC-INIZCTEOSA-N 467.957 5.067 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(F)ccc2F)cc1 917612335 QSRWANBAOCQVGO-UHFFFAOYSA-O 450.534 5.745 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)ccc1OCc1ccccc1 917645417 YXWXHDJVEZMIKU-OEAKJJBVSA-N 458.564 5.552 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(C#N)cc2)C1=O 917675730 ZJGISSRUYQACDE-RUZDIDTESA-N 498.608 5.508 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2OC)c1 917694273 FBTBFVOKMKATRL-XMMPIXPASA-N 489.597 5.002 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)cc1 917703332 LISSVZDCFRMARH-VWLOTQADSA-N 498.608 5.506 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(C)C)c1 917713406 KUVUZRLIHRNUAA-HSZRJFAPSA-N 481.618 5.009 30 20 JKED CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)Nc2cccc(OCCCC#N)c2)CC1 919850179 SFDDYNOXRZCNJB-UHFFFAOYSA-N 478.593 5.189 30 20 JKED CCOc1cc(/C=C2/CSc3ccc(Br)cc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 920069601 VNVQVOMQWGTEOQ-KWZJRMENSA-N 490.419 5.075 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)NC(=O)c3cccc(Cl)c3Cl)n2)cc1 920139668 XBSVBTDOTDQRLS-WBMJQRKESA-N 474.369 5.120 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2ccco2)C1=O)Nc1ccccc1F 920174699 DSTGFBHYNTYZPD-QFIPXVFZSA-N 463.534 5.068 30 20 JKED CCc1c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)[nH]c(C)c1C(C)=O 920396122 SOEPKMVVOUJGGO-UHFFFAOYSA-O 487.649 5.868 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 920806346 KBNUWDQBNNYHQZ-LJQANCHMSA-N 479.552 5.136 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)c2c(C(C)C)noc2n1 920899111 YJAPTRXLUUZOEQ-UHFFFAOYSA-N 477.565 5.245 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c3ccccc3n3ccsc23)C1 1780002923 GMIZRKNGASGXGL-QDPGVEIFSA-N 491.657 5.050 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)CCC1 1785958434 RYBJZGZSDZDKRE-UHFFFAOYSA-N 477.399 5.255 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)CCC1 1785958722 DEIHGUITBZAXAN-MZJWZYIUSA-N 498.352 5.048 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786042447 IFJDIMAMNVAUQM-OAQYLSRUSA-N 466.585 5.126 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)CCC2)cc1 1786364904 VRNHLARERXPHPC-XNTDXEJSSA-N 498.627 5.062 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CSc3ccc(F)cc3F)CCC2)cc1 1786676565 RXKZOFJJQKRPNT-UHFFFAOYSA-N 462.587 5.110 30 20 JKED COc1cc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)ccn1 1786732655 NWAWBMKSKSJSHB-FQEVSTJZSA-N 482.584 5.098 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)c[nH]1 1788817814 DEHFFHJYLJMFLG-UHFFFAOYSA-N 466.463 5.275 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(C)nc4ccc(O)cc34)cc2)CCC1 1789242702 DOSLJIPVUVEHAS-UHFFFAOYSA-N 465.500 5.208 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccn5ccnc5c4)cc3)CCC2)c1 1789306438 GDFMXCGXGVWRFG-IBGZPJMESA-N 463.541 5.023 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc2)CCC1 1789868709 DFZXJBBARGENPU-UHFFFAOYSA-N 464.875 5.051 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4ccc(F)cc4)cc3)CCC2)c1 1790152399 ULGOZWZMFMTSMX-UHFFFAOYSA-N 479.515 5.149 30 20 JKED CCc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1790201149 DPUDIVHGCPGJEM-KRWDZBQOSA-N 458.587 5.394 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCc4cccc(Cl)c43)CCC2)cc1 1790567211 IPPZRXCTFNKCSL-UWJYYQICSA-N 467.997 5.305 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c([N+](=O)[O-])c4)cc3)CCC2)C1 1790642385 SCNXPNUTIOVGKS-UHFFFAOYSA-N 484.350 5.071 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCCC(=O)OC(C)(C)C)CCC3)cc2)c1 1790795207 IQDRSYYUIRSXFS-UHFFFAOYSA-N 475.589 5.126 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)CCC2)cc1 1791251879 WQBDVFSIXXEQFW-TWHAJKEOSA-N 481.637 5.121 30 20 JKED Cc1nc2ccccn2c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123621 NDZFWUXAXJYSOS-LJQANCHMSA-N 477.568 5.331 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ccn4)CCC3)cc2)c1 1792124798 IPYACBGSFNHGBC-KRWDZBQOSA-N 458.949 5.424 30 20 JKED CCSc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124805 JGMWYENIJDQGIK-LJQANCHMSA-N 484.625 5.882 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C3CCCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204160 ONKCYZLWXGEDNY-JOCHJYFZSA-N 469.626 5.170 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3C3CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205309 WBGFMRGZMVURQV-DNVJHFABSA-N 481.637 5.026 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)cc(C(F)(F)F)c1 1792233642 YGCUOCFDSQDGHX-UHFFFAOYSA-N 466.463 5.019 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c2ccccc2n2ccsc12 1799128711 WDFSBHYRFILUON-WKCHPHFGSA-N 488.012 5.111 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCC(C)(C)C 1801833318 JNZQLYCJIZYZEQ-IFVAXTLGSA-N 489.701 5.091 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C(F)(F)F)c2F)C3)c1 1803683841 AYFXMLPHZRECMH-FZDIXFNVSA-N 473.470 5.037 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1804001463 YBZHWTNWMQKLJF-JGMHOPBPSA-N 471.523 5.032 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809209899 PEJVABJLYDFQCG-HYBUGGRVSA-N 494.060 6.038 30 20 JKED O=C(CCC(F)(F)F)N1CCCC2(CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)C1 1809482538 TXJPBCJRXVYFSR-UHFFFAOYSA-N 468.413 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1810173476 JDGRQECQTMNGRY-VVZHRXSXSA-N 498.652 5.637 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1810174520 ZWTMDITVHIWVSL-LZCXECNNSA-N 491.035 5.613 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC=C(C)CC2)[C@@H]1c1cccnc1)c1ccccc1 1810442910 BFTDDNKVYKMUCU-KZZMTEEBSA-N 469.629 5.031 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)C2)CC1 1810731957 RRSBLXGOOGAHFN-UHFFFAOYSA-N 463.956 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1811459506 LQNBKQCYDVRSFL-LYHRCORUSA-N 490.406 5.616 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)[C@@H]2c2cccnc2)c1 1811936342 RFSCWJSDXWXNBR-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)[C@@H]1c1cccnc1 1812584981 YFYQPAKSUXVPIK-UWTQQKGLSA-N 485.628 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813968154 NTPFJKLZOOWBRM-NZQKXSOJSA-N 489.513 5.328 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1815218812 UJMQRIPZIAJCQV-MZNJEOGPSA-N 494.542 5.252 30 20 JKED CO[C@](C)(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](S)C(C)C)n[nH]1)c1cccc2ccccc12 1815241515 FFRIDZPGKCDUSN-SHQBLQIYSA-N 494.661 5.071 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1815657054 WIEDXWCCWHKUEP-QHCPKHFHSA-N 477.634 5.042 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5ccoc5s4)sc3C2)c1 1816694999 KBRITCPIYWJMPE-SUMWQHHRSA-N 476.583 5.117 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)ccc2c1 1818527628 JLRSYLRJAHHMNC-SANMLTNESA-N 492.583 5.077 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)[nH]n1 1819307455 UXIXPEHSMFERTG-LMMKCTJWSA-N 458.653 5.413 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)Nc2ccccc2)[nH]n1)c1ccccc1 1819518780 DOLVFBPOTQNGLY-YMVVMYQSSA-N 483.616 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821756846 QRXXEKZITBAXJU-ISKFKSNPSA-N 484.044 5.127 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 1822281656 IVPHGGAACDBCLN-MGPUTAFESA-N 491.419 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c(Cl)ccc(OC)c2F)n[nH]1 1822493323 PEMWCCBHDABZSK-UZLBHIALSA-N 488.991 5.214 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823217666 WFYBYVJLCFQVTC-ZYLNGJIFSA-N 469.589 5.455 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 1823752457 UMVQVGSRCNEIID-NRFANRHFSA-N 465.560 5.326 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1824053082 COYPWUAWQRUMSV-QHCPKHFHSA-N 499.442 5.126 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c1 1824053331 SDEWHLWARWUBNB-AREMUKBSSA-N 469.585 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 1824145341 WRDPJNBZOHGCEO-CLJLJLNGSA-N 486.100 5.331 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1824960525 OOGRXXYWILBCCJ-QFIPXVFZSA-N 483.505 5.465 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccco4)no3)CC2)c1 1827420266 HWOWPZMBRWHIEF-YADARESESA-N 486.572 5.109 30 20 JKED Cc1ccc(SCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827682802 MPOGFEDIWHJJOO-HRBBJJPOSA-N 496.698 5.207 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827777880 MQWQUIOGXKLDDR-LJQANCHMSA-N 454.533 5.524 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827793077 DWMSFDINRXECJX-AHKZPQOWSA-N 471.645 5.750 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827793081 DWMSFDINRXECJX-VPUSJEBWSA-N 471.645 5.750 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828204748 LIGNHRMSCKESKM-MHZLTWQESA-N 489.736 5.519 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cnccc4c3)CC2)c1 1828205488 HVICJYIYUVUEDY-KMRXNPHXSA-N 480.612 5.409 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c1Cl 1828256563 JPSWUJPNYAUCEN-HSZRJFAPSA-N 475.976 5.505 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1 1828829598 JUJWKDPDZCBMBP-IZZNHLLZSA-N 451.655 5.019 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(cnn3C)c2)CC1)c1ccccc1 1829032217 KHBPUGSAKYNQRU-LMSSTIIKSA-N 496.655 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419413 NIVVHIIPDWCFID-ZEQRLZLVSA-N 477.674 5.812 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1829680567 CETPVERDGKNXQI-VWLOTQADSA-N 480.052 5.576 30 20 JKED COc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829688911 OAXIFQYHMOFOIJ-VWLOTQADSA-N 494.035 5.086 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705494 HOSSJSJECCLDSN-ZBLYBZFDSA-N 493.623 5.527 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1830015848 RMIKWYRBVUVBDS-HSZRJFAPSA-N 475.589 5.459 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)cc1 1830017277 WWEANDWJJYXMBI-JOCHJYFZSA-N 488.390 5.551 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830057807 VQIFCNWKQDJVLT-HHHXNRCGSA-N 457.618 5.423 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c1 1830770167 MEWCKWVJLSBYLQ-RUZDIDTESA-N 455.558 5.160 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831376392 MTNFLEOWTLVXLG-XMSQKQJNSA-N 450.545 5.080 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832690364 IGGLWXURHNMGOX-JOCHJYFZSA-N 471.935 5.037 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699721 MSXRWOUJMIKREL-AJTFRIOCSA-N 475.633 5.388 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3F)CC2)cc1C#N 1832703810 UYZVALGRFNQXPZ-XMMPIXPASA-N 495.570 5.171 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1832897923 NJBGJQGDJIITHH-CLOONOSVSA-N 464.009 5.249 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1835457275 HAZVDHUAOPYDGW-RPBOFIJWSA-N 486.100 5.008 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)=C(/S)Nc2ccccc2)cc1 10170683 XDFBIOCMWNOVQL-UHFFFAOYSA-O 478.638 5.660 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10170954 UBEZCCCSBZXDIQ-UHFFFAOYSA-O 471.577 6.519 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1cccc2ccccc12 11127371 GMJSMRODUHEOGZ-UHFFFAOYSA-O 451.615 6.229 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)n2-c2ccc(C)cc2)cc1 15275355 AJJHNAWKCNSUMP-LJQANCHMSA-N 475.618 5.075 30 20 JKED CCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17125922 MTFISXWXCAMPNX-UHFFFAOYSA-N 478.574 5.195 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)s2)cc1 19295276 PQNZCIIJXHZEJB-UHFFFAOYSA-N 484.031 5.660 30 20 JKED C=CCn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccoc1C 21134410 CWJUWDXUPDBGLQ-DEOSSOPVSA-N 454.555 6.230 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(Br)cc1 21927361 NTRZIGKUIMNNQW-OAHLLOKOSA-N 485.407 5.216 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1F 21937056 UPBSBIBHBLDJRS-JXMROGBWSA-N 469.896 5.410 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccc(F)cc1 22033585 JGEJZVKDAQWGTH-UHFFFAOYSA-N 474.586 6.192 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NC[C@H]2CCCO2)cc1 22691861 XLURUEMOKABNPS-XMMPIXPASA-O 453.672 5.709 30 20 JKED Cc1sc2[nH]c(CS[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)nc(=O)c2c1C 24080356 UOQKEQNDZIZMQO-ZDUSSCGKSA-N 472.661 5.064 30 20 JKED CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 26391776 DLZARIFBPQYAFU-UHFFFAOYSA-N 465.600 5.040 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)c2)c1 409794561 UZJRHXQEZRAZHK-DHLKQENFSA-N 454.530 5.100 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 410350956 GBZLLWUHDDSXMO-AREMUKBSSA-N 490.519 5.249 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 480403715 LDHUHEQOAGHONQ-UHFFFAOYSA-N 479.540 5.355 30 20 JKED CN(CCc1cccc2ccccc12)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481260019 PUGLBOAMHDLKNJ-UHFFFAOYSA-N 481.527 5.069 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 487836923 GALKXKXMMMXUCU-UHFFFAOYSA-N 497.860 5.217 30 20 JKED C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cc(C(F)(F)F)ccc2S1 498377135 UJPYOXOJRXHTJA-HNNXBMFYSA-N 482.549 5.314 30 20 JKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 498923182 HXNLKAMNMRJVCS-UHFFFAOYSA-N 491.617 5.894 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnc4c(cnn4Cc4ccccc4)c3)c2)cc1 501473857 CRFUBRKRCGTWMG-UHFFFAOYSA-N 473.536 5.377 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(Cl)s2)nc1C)c1nc(C(=O)OCC)cs1 501954448 TWAWHKNGKSWFQU-UHFFFAOYSA-N 453.998 5.299 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 508927830 ONAPMDYMGZJQRZ-UHFFFAOYSA-N 474.605 5.638 30 20 JKED CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4sccc4C#N)o3)cc2C1 509949276 PCLCCWIEERDMHD-CQSZACIVSA-N 458.634 5.613 30 20 JKED CC[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1OC(F)F 510232020 QXVLDXXWEPIDHZ-INIZCTEOSA-N 475.546 5.576 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 511389723 FFFXOBPFAQMKDC-UHFFFAOYSA-N 484.600 5.080 30 20 JKED C[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 511800101 UADHBPOIVBIPSB-OAHLLOKOSA-N 472.925 5.334 30 20 JKED C[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 511940051 RKWWHTJSNSWDHJ-INIZCTEOSA-N 486.952 5.121 30 20 JKED COc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c(OC)cc1NC(=O)c1ccccc1 512155977 LXKLNFZHOUXOBJ-UHFFFAOYSA-N 497.507 5.252 30 20 JKED C=CCc1cc(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)cc(OC)c1OC 515620296 MIKLYBDVYYDEIK-QZTJIDSGSA-N 450.579 5.111 30 20 JKED N#CCCCOc1cccc(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c1 515661009 WJDLIZAZGKQBOJ-HXUWFJFHSA-N 450.589 5.282 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)o1 515750973 VCLRABLTKJMORK-UHFFFAOYSA-N 452.470 5.627 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C)c3NC(=O)c3ccccc3F)n2)cc1 516465578 VVHKSXSMGSAZGO-OAQYLSRUSA-N 469.541 6.308 30 20 JKED C[C@@H](Nc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-])c1ccccn1 517492184 LOPMHUQYURNDTR-BFUOFWGJSA-N 470.316 5.464 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 518660760 AAFUKVJWJLQNKI-VQIMIIECSA-N 466.657 5.851 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(OC)c1 519422640 BSJYZZYOBOGBKA-LJQANCHMSA-N 499.636 6.675 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 521333519 KPBKWOSUBFXCFI-DENIHFKCSA-N 482.609 5.449 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 521720671 RTIJHEXWMDUAPF-CYBMUJFWSA-N 459.597 5.403 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 522455686 NXHXJPYJXKINSH-UHFFFAOYSA-N 475.932 5.142 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)cc2)c1 524386541 GQKYTXZAXGOCSQ-UHFFFAOYSA-N 459.590 5.331 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2cc(F)ccc2F)c1 589026882 SXNGPMAELIRYPI-UHFFFAOYSA-N 476.932 5.276 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2Cc2ccco2)cc1 598110054 RVCXGSSIDDACRK-HOYUBGIKSA-N 493.633 5.006 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 603532807 VELYKJJBXILECD-UHFFFAOYSA-N 496.508 5.869 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)cn2)cc1 604428438 XLVLYTXNYXBKRS-HSZRJFAPSA-N 488.956 5.305 30 20 JKED CCC[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccc(C(F)(F)F)c1 608851108 KYHLLJBEJUESOQ-FQEVSTJZSA-N 452.498 5.054 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)s2)cc1OC 609060670 AGFGQHOQTFPOSC-UHFFFAOYSA-N 499.592 6.147 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1 609060841 OIVLFFJIUHOYPH-UHFFFAOYSA-N 468.509 5.879 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434462 MFLSMRHSAVRJCN-UHFFFAOYSA-N 493.361 5.572 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCN1CCN(c2ccccc2Cl)CC1 609438608 MLIAFZXSLFBLRZ-LJQANCHMSA-N 472.058 5.068 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 613392508 QUUCSAQEZZAUMW-GOSISDBHSA-N 465.987 6.298 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403446 CXRZNPCIKBAUKG-OAHLLOKOSA-N 475.492 6.300 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1 613937213 HRQYWYKETMLUIW-HXUWFJFHSA-N 491.419 6.033 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 615000317 TTYJEVJPCPEWSM-UHFFFAOYSA-N 450.951 5.217 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618542739 DDKJXCWCHIMIPF-RYUDHWBXSA-N 484.334 5.698 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl 642073411 NHPJOPRYRAIILC-UHFFFAOYSA-N 477.417 5.592 30 20 JKED N#C[C@H](C(=O)c1ccc(Cn2cccn2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281686 OYWPDKBZLBOWKT-GOSISDBHSA-N 453.354 5.852 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCCC2CCCC2)cn1 726111906 MVTNQYDEMXPPEX-QHCPKHFHSA-N 495.649 5.036 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2[C@@H](C)c2ccccn2)cn1 726118140 JNYDZBBCUBARNJ-MHECFPHRSA-N 498.612 5.173 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@@H](C)c2cccs2)c1 726421524 NNRDFHGBSKFMBP-YSEZWBPPSA-N 493.654 5.485 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OCc3ccccc3)cc2)NC1=O)Nc1cccc(C(F)(F)F)c1 726716954 VLTDDDZLFAADAC-NRFANRHFSA-N 499.514 5.532 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)cc1 726940050 FDNIWXBGNYAKRT-UHFFFAOYSA-N 485.968 5.457 30 20 JKED N#CCOc1ccc(CNc2ncnc3scc(-c4ccc(Br)cc4)c23)cc1 727826254 KHELWBAEOCJBKW-UHFFFAOYSA-N 451.349 5.635 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCc1ccc(F)cc1C#N 728615094 LLGUVVWPFOOKLB-CQSZACIVSA-N 479.558 5.440 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 728779040 WUDPOZUIFWGLJI-LJQANCHMSA-N 476.936 5.272 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3scnc3C)C2=O)c1 729142308 KAPUDIWVEVJRQP-OAQYLSRUSA-N 494.642 5.237 30 20 JKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3occc3COc3cccc(C#N)c3)ccc21 729411729 BCORYMDXZIZKKV-UHFFFAOYSA-N 473.529 5.670 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c1 729633068 VSJHDBLTGMHNDN-JOCHJYFZSA-N 498.530 5.276 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O)Nc1ccc(F)c(Cl)c1 730717064 DJMWASUFLCQJHQ-GOSISDBHSA-N 493.347 5.281 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1cccnc1 730943524 FCXDMIJYEZUIBT-SBUREZEXSA-N 476.577 5.505 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1C 730944066 QPPHUBFPYGYQNW-RDPSFJRHSA-N 472.614 5.098 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCOCC2CC2)C1=O)Nc1ccc(F)cc1F 730944210 SSZISAIQMWPRKH-HXUWFJFHSA-N 493.963 5.005 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCCOc1ccc(Br)cc1 731287448 BXHSNXZMUWSREJ-QGZVFWFLSA-N 493.785 5.316 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1cccnc1 731308718 MQNJLDKEHSGGRI-GAJHUEQPSA-N 474.586 5.071 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1 746696215 KTPYLJTZPOGXBU-HSZRJFAPSA-N 472.545 5.468 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cscn3)C2=O)cc1 747598271 AIARBLDCVOGXSW-JOCHJYFZSA-N 494.642 5.319 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1sc(-c2cccnc2)nc1C 747610126 HVGRXBRQOZRUDY-UHFFFAOYSA-N 462.600 5.491 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(CC(F)(F)F)C1=O 799223348 HXKGYXHKSYZVHK-QGZVFWFLSA-N 499.942 5.488 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1ccccn1 837286090 RSXJJSVKAHNWDM-AVRDEDQJSA-N 476.577 5.559 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)cc1 837548468 PFBJITIWZGZEOX-DVECYGJZSA-N 488.613 5.592 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@H](C)c2cccnc2)C1=O 838536338 YOPSHPFJOCVVCF-QRQCRPRQSA-N 496.539 5.090 30 20 JKED CC(C)Cn1cc([C@@H]2N(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC23CCOCC3)cn1 849533205 SFVOISNODKSVBT-SANMLTNESA-N 488.563 5.336 30 20 JKED O=C(CCc1nc(-c2cc(Br)cs2)no1)N(O)Cc1cccc2ccccc12 901370048 PMIHTZMIFCUMLM-UHFFFAOYSA-N 458.337 5.064 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC(F)F 915353197 LWENIZCEUALAAN-NRFANRHFSA-N 451.473 5.616 30 20 JKED Cc1ccc(C)c(Oc2ccc(CNC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cn2)c1 915762698 XITIIOLXSQICQV-SANMLTNESA-N 490.563 5.401 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)cc1 916156299 ROOWSCRNJLYDNK-SFTDATJTSA-N 474.358 5.096 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccccn3)C2=O)cc1 916206309 PVGYUYYIQPBKIC-QHCPKHFHSA-N 492.576 5.170 30 20 JKED Cc1sc2ncn(N=Cc3csc(-c4ccc(Cl)cc4)n3)c(=O)c2c1-c1ccccc1 916283710 OGVUPFVMDXHLKO-UHFFFAOYSA-N 462.987 6.093 30 20 JKED N#C[C@@H](C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)c1ccccc1 916622932 RZXMSSFXBLPJOZ-HXUWFJFHSA-N 459.958 5.067 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OCc1cscn1 916886998 LJLCANXXBHNYEH-QGZVFWFLSA-N 489.525 5.007 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044698 UCHUMVOYHBDUAA-MAUKXSAKSA-N 469.488 5.033 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)c1 917678593 ZRWOBDPWKRWHFN-GPXNEJASSA-N 494.636 5.030 30 20 JKED N#CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)c1 918633714 NACIPJYYYALKEP-UHFFFAOYSA-N 470.529 5.209 30 20 JKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918671343 NNPGTIZJKOYXMD-DKZVVXNFSA-N 487.284 6.327 30 20 JKED Fc1cccc(Nc2nn(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(=S)s2)c1 918732070 FOBAEUNDMKITRT-AOOOYVTPSA-N 460.444 5.577 30 20 JKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 919664325 CVLJAEFJYRQQAF-FQEVSTJZSA-N 469.393 5.925 30 20 JKED N#C[C@@H](C(=O)Cn1cc(C(N)=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 920109462 FSOJYIXXNBDZPY-HNNXBMFYSA-N 469.353 5.047 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2cc(Br)cs2)no1)c1nc2cc(Cl)ccc2s1 920112812 KKLCVHXHQWBMTR-NSHDSACASA-N 493.795 5.633 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccccc3Br)n2)cc1 920141846 MRYBHEATNMAYCT-KRWDZBQOSA-N 466.360 5.480 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 920142685 VQYGITJEPDVHEJ-VDNIUXDYSA-N 491.416 6.609 30 20 JKED Cc1sc2nc([C@H](C)OC(=O)c3cccc(OCc4ccccc4C#N)c3)nc(O)c2c1C 920636015 QGEAHSYWFPQWGS-HNNXBMFYSA-N 459.527 5.382 30 20 JKED N#CCCN(C(=O)COC(=O)c1csc(-c2ccc(Cl)s2)n1)c1cccc(Cl)c1 920674695 FYBFEWQDTVVNCM-UHFFFAOYSA-N 466.371 5.282 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 921255266 YJUKUMIKHIQPKE-FQEVSTJZSA-N 477.989 5.256 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CN(C(=O)OC(C)(C)C)C4CCCC4)CCC3)cc2)C1 1785806661 KQOQNGMKOXXRIR-UHFFFAOYSA-N 481.637 5.266 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4nccc5occc45)cc3)CCC2)c1 1788339668 ZYIOZDPQPOCDED-UHFFFAOYSA-N 464.525 5.080 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1 1788650804 UXACGPDHEFCUSU-ZHACJKMWSA-N 487.556 5.555 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5ccccc5)n4)cc3)CCC2)c1 1788713532 QZNLBZCHSKLLGS-UHFFFAOYSA-N 461.525 5.010 30 20 JKED COc1ccc2c(/C=C/C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)c[nH]c2c1 1789119279 JDSDFGHPRCTDJD-CNKPNACGSA-N 496.567 5.036 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3)CCC2)cc1 1789508932 XBNGDWKHEZZSRW-UHFFFAOYSA-N 472.665 5.313 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cc(C)[nH]c45)CCC3)cc2)c1 1790073183 QDDMRRVIUXSSLD-UHFFFAOYSA-N 478.552 5.418 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)c1 1790524316 VDEOUCHBBXMJHI-IBGZPJMESA-N 480.543 5.315 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OC(C)(C)CC4)CCC2)cc1 1790564951 USHJHYYYRASJIJ-LJQANCHMSA-N 477.605 5.339 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc(Br)c4OC)cc3)CCC2)C1 1790633449 GZWOMCYKSCPGNF-UHFFFAOYSA-N 469.379 5.172 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1 1790706121 FGVAHFJONLNZPJ-UHFFFAOYSA-N 467.569 5.142 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccc(C)n4)CCC3)cc2)c1 1790795321 RJUFYZSOIUFVJK-VAWYXSNFSA-N 450.542 5.031 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)c1 1790931823 HOYIBWRUKYEVMK-UHFFFAOYSA-N 481.508 5.080 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790954180 NXUJFCVHCLVKHB-NRFANRHFSA-N 465.981 5.142 30 20 JKED Cc1cc(C)n2ccc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)c2n1 1791004808 IBOMFRBPLLAEFD-IBGZPJMESA-N 491.595 5.640 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@]34C[C@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791444141 MJYTUTNLXIRYEM-PBBNMVCDSA-N 495.664 5.512 30 20 JKED CC[C@H](C)CC(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)cc2)CCC1 1791521679 JUHSCIUJOHOSQC-LAUBAEHRSA-N 491.698 5.158 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN(C(=O)OCc4ccccc4)[C@H]3C)CCC2)cc1 1791593470 UDDFJIDAFGDHSK-SQJMNOBHSA-N 489.616 5.134 30 20 JKED CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123671 OKZZOUUXYRJGBS-SFHVURJKSA-N 470.573 5.624 30 20 JKED Cc1nc2ccc(F)cn2c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792126648 IQMBLAFIGFYKGL-GOSISDBHSA-N 495.558 5.470 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccn5cncc5c4)CCC3)cc2)cc1C#N 1792168615 QXCVACLKHQTJIH-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792209528 GXYVTYKRKSYIOU-DHIUTWEWSA-N 481.637 5.008 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc2ccccc2c1 1796514923 RPOUQOSYOSZXAU-NUNAXRQHSA-N 475.539 5.365 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1Oc1cccc3ccccc13)C2 1800229020 ZOZDKWGGIHYUIK-XGAJZPNHSA-N 499.611 5.685 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3Oc3ccccc3)[C@@H]2c2cccnc2)C1 1802415296 FNVHXXTYDUZPDV-AJTFRIOCSA-N 467.569 5.160 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)[C@@H]2c2cccnc2)C1 1802416905 KNBXHKFVAVCVJI-NBGIEHNGSA-N 490.003 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1802498825 NUSYNAVOOUXPDF-ZCYQVOJMSA-N 467.730 5.131 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(C)s2)[C@@H]1c1cccnc1 1802502184 XRKDHIPCOJFNCQ-REMRKPAUSA-N 451.636 5.163 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1803087405 ATBLMMHKQMRALH-PXNSSMCTSA-N 478.445 5.538 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC4(CCN(C(=O)c5cccc([C@H](C)C#N)c5)CC4)C3)c2c1 1806888494 CSSBRQUUOZIQQR-JOCHJYFZSA-N 482.628 5.191 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)C2)CC1 1807659469 CDANWCMEKXAIMX-SFHVURJKSA-N 485.550 5.223 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC=C(C)C)[C@@H]1c1cccnc1)c1ccccc1 1807985711 ALDYFLDPBZEQDE-NSVAZKTRSA-N 457.618 5.031 30 20 JKED CCc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)C2)cn1 1808017703 WVTMPUUIDOOKMS-UHFFFAOYSA-N 491.635 5.202 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(OC)cc3)C2)CC1)c1ccccc1 1809090445 XQVOXOKKDIWNJX-MUUNZHRXSA-N 486.656 5.056 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cc4ccc(F)cc4)cc3)[C@H]2c2cccnc2)C1 1810511528 QXBMYLNYYUDLMU-LBNVMWSVSA-N 483.587 5.097 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@H]1c1cccnc1 1811433822 ITAGOVSCCVWKGW-DYESRHJHSA-N 473.907 5.012 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)[C@@H]2c2cccnc2)c1 1811936755 YKCMPOFQVGZZER-RXFWQSSRSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1812593010 WZAGZCWPUIGOLR-CMPZQBNXSA-N 464.368 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 1814361455 FVPMUAHLSTWXEK-OAQYLSRUSA-N 461.566 5.363 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@](C)(OC)c2cccc3ccccc23)n[nH]1 1814406859 STVZIPJYNPNELQ-HOFKKMOUSA-N 492.645 5.036 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1814569713 OSOOHUPVHWIGFS-INIZCTEOSA-N 455.971 5.133 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1815207335 FQEWCRHTAGCPMN-QHCPKHFHSA-N 496.011 5.208 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5ccoc5s4)sc3C2)c1 1816694997 KBRITCPIYWJMPE-GUYCJALGSA-N 476.583 5.117 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1)NC(=O)OC(C)(C)C 1818810512 VJGWOXZTRRXWAQ-VWPQPMDRSA-N 499.656 5.008 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818867438 CAICDCUHPHTFGZ-QNWVGRARSA-N 473.964 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)c(F)c2)[nH]n1 1819300422 BDOAGZHFMNSVAM-UTKZUKDTSA-N 458.965 5.205 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)ccc2F)[nH]n1 1819302103 ZXHUQUCDZOKAEG-OXJNMPFZSA-N 489.389 5.386 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1819363595 HQWHYJIUHFSHEZ-SJLPKXTDSA-N 487.025 5.157 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1819385537 XDKLFFAFKOJALF-DEOSSOPVSA-N 487.680 5.315 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)[nH]n1)c1ccccc1 1819521497 VDUIRDALWFKEHU-TWKGTMJUSA-N 487.629 5.077 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCC#N)[nH]n3)ccc21 1820225191 FQTIMCCJVDHSMP-DEOSSOPVSA-N 468.561 5.147 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821276438 SFPMEEYSBZXZCC-OAQYLSRUSA-N 490.995 5.247 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4c(Cl)cccc34)n[nH]2)c1 1821541585 NIXFIOYGMMCKFJ-JOCHJYFZSA-N 486.963 5.344 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821609271 CHTDYGCQZGFRKE-YKSBVNFPSA-N 476.602 5.569 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1821984386 QYIXYZSRDUKKMF-BBVFFXRHSA-N 482.453 5.345 30 20 JKED Cc1ccccc1CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1822058611 DPEXKYVMUCYFQR-NBGIEHNGSA-N 469.589 5.284 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n[nH]2)c1Cl 1822327531 OOAAFZGEUGISAQ-TUNNFDKTSA-N 473.964 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)n[nH]1 1822611198 LAMUVAMEUWEFJL-RPWUZVMVSA-N 477.653 5.059 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)[nH]n2)c1 1823212732 YXGHKRJRVGLBIM-KBXCAEBGSA-N 467.982 5.371 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)[nH]n2)c1 1823215019 LNLRLADYQNQBMQ-UPCLLVRISA-N 484.535 5.277 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1823215775 DACLJAAWJBTTBR-HHJKRLRDSA-N 480.572 5.284 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(F)F)c(OC(F)F)c3)CC2)C1 1823702689 SRNMPKQLCCVXDC-IBGZPJMESA-N 498.517 5.089 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 1823751462 VEVAWVDKLOWULC-IZZNHLLZSA-N 466.666 5.303 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCOc3ccc(F)cc3)CC2)c1 1823971549 JEIYQXXLUZZRBZ-IDISGSTGSA-N 491.607 5.155 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)c1 1824056648 YJBBDZRNTPPTLS-QHCPKHFHSA-N 499.989 5.356 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)CC1 1826236529 UNEZRLPFEAEADJ-LOSJGSFVSA-N 497.680 5.147 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1826692556 SPWBCCGHDXORFP-KRWDZBQOSA-N 473.898 5.035 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNc2ccc(F)cc2)CC1)c1ccccc1 1826837789 KNISSELVMWUXAA-NSOVKSMOSA-N 489.635 5.055 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)n1cccc1 1827629201 HWYVLVWYPOIFFY-BJKOFHAPSA-N 481.040 5.288 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828357803 OPDOKQUPWJBGBN-WUZNFDRSSA-N 497.595 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1828821699 PYLHOVXXKRGVSX-MYJYKVKASA-N 452.561 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cc(C)ccc2C)CC1 1828821918 UTIKZKUQZSRDLD-JWQCQUIFSA-N 452.639 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 1828826644 JPDCYTHXCYLBPN-UKILVPOCSA-N 461.606 5.343 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3ccoc3C2)CC1 1828904487 YGZPDANXRLOTHI-LOSJGSFVSA-N 482.741 5.055 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cnccc23)CC1)c1ccccc1 1829031593 BGLZUJDYAPOQRF-JDXGNMNLSA-N 493.651 5.665 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830015306 CJXZRYVZMSWDMT-JGXQXMPLSA-N 473.642 5.406 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1830449614 AKRAOXYFAAJWPO-RUZDIDTESA-N 479.665 5.261 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830599103 BSSBYTVZVQNTKD-MHZLTWQESA-N 487.644 5.477 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)c(Cl)c1 1830720543 AWEHYIUNNISYBU-IRLDBZIGSA-N 477.983 5.270 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723756 OHSCARKBCNNKPR-XMMPIXPASA-N 467.972 5.206 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1830794988 KSYKXEMHGDJSLA-DEOSSOPVSA-N 490.566 5.055 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c1 1830912105 NBIRRMDFPDNEAH-RUZDIDTESA-N 455.558 5.160 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1831598595 GLYQMFFSMAYZAV-MUUNZHRXSA-N 471.645 5.352 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2c(C)cccc2C)CC1 1832030387 LVEHFVHJHGKADB-DEOSSOPVSA-N 454.680 5.209 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1832627463 DREQLLSBUVDNQK-RLWLMLJZSA-N 486.660 5.553 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)ccnc3Cl)CC2)c1 1832634069 HNDDUUWKNGZUPP-VGSWGCGISA-N 482.987 5.048 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634679 TXQYLAIMIPRLBM-JIPXPUAJSA-N 468.601 5.041 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)CC1 1836884243 SROVOHJEHBMXNN-RPWUZVMVSA-N 495.129 5.033 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 1838373924 USUDFLRSEZKQKH-QHCPKHFHSA-N 478.555 5.086 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1)c1ccccc1 1838417412 BJQPNCWHOLAABE-YQASLYCHSA-N 490.688 5.009 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1841628209 MLQBIRQOKSCDKO-OAQYLSRUSA-N 492.563 5.269 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1cccc(Cl)c1C 11257393 JCBSZGCPXRFRSP-UHFFFAOYSA-O 478.852 6.856 30 20 JKED N#Cc1c(NC(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)nc2)sc2c1CCCC2 13984730 RXJIWHCASMDWGR-UHFFFAOYSA-N 487.610 5.210 30 20 JKED N#CCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)c2)cc1 15029040 ULNDZORYNHLRHE-UHFFFAOYSA-N 497.576 5.385 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 17829150 OXGVWEJMSIJWJC-UHFFFAOYSA-N 457.584 5.281 30 20 JKED C=CCN(C(=O)COC(=O)Cc1c(C)noc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 19276430 LYFUVHYFQRYZQC-UHFFFAOYSA-N 480.373 5.027 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(C)cc2)cc1 22730883 FAIJVXCMUDZHOS-UHFFFAOYSA-O 454.413 5.658 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc2c1=O 23348716 MZDSHXXVBVFOSY-KRWDZBQOSA-N 471.607 5.893 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 23517650 YJMRVWUMZMQUQG-QRWLVFNGSA-N 470.982 5.058 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Cl)s2)nnc1-c1ccc(Cl)cc1Cl 32844654 PWRHEUXEAYRXFA-UHFFFAOYSA-N 487.865 5.904 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 195681605 FWTVLPLTZDRBBS-SFHVURJKSA-N 470.598 5.625 30 20 JKED C[C@H](S[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(OC(F)(F)F)cc1 195696178 BYAHWLFILZGPEX-JGVFFNPUSA-N 459.358 6.102 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cs1)c1ccc(F)cc1F 208894996 HOEQUOKLGZNFBM-VURMDHGXSA-N 452.404 6.021 30 20 JKED COc1ccc(-c2nnc(SCC(=O)NC3(C#N)CCCCC3)n2-c2ccc(Cl)cc2)cc1 255933505 MFILDMLXRYROAO-UHFFFAOYSA-N 482.009 5.031 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 303058714 LFBGLTPZZBBJBC-UHFFFAOYSA-N 497.517 5.486 30 20 JKED Cc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cnn1-c1cccc(Br)c1 303416032 WMIMXPCQYXADBW-QGZVFWFLSA-N 464.150 5.245 30 20 JKED C=CCN(C(=O)c1cc2c(s1)CC[C@@H](C)C2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491078363 VQFHQYSABILBMS-OAHLLOKOSA-N 472.657 5.233 30 20 JKED C=CCN(C(=O)c1ccc(OCc2cscn2)c(OC)c1)c1nc(-c2ccccc2)cs1 498280612 DNOOFOAOZWHLSK-UHFFFAOYSA-N 463.584 5.687 30 20 JKED O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 498310289 LBFCWHARZODLCR-UHFFFAOYSA-N 475.349 5.306 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1 499494413 ZPGLPVLEQKGCFQ-AWEZNQCLSA-N 462.953 5.374 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 499520055 NPCYODDYXGTFMF-UHFFFAOYSA-N 472.472 5.709 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)cc1 501886879 IBZCOZAYXAAGGD-UHFFFAOYSA-N 493.639 5.865 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 502355586 QOOSHHMJNMXMHL-KKSFZXQISA-N 479.964 5.904 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)c2)cc1 503181894 TURUKEOKCUWDQM-UHFFFAOYSA-N 493.901 5.756 30 20 JKED CC[C@H](C)n1c(SCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 504279636 HWYKGKUOUPVBQH-KRWDZBQOSA-N 472.536 5.195 30 20 JKED N#CCCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 505088321 XWSRAVSYNNBFPJ-UHFFFAOYSA-N 460.390 5.143 30 20 JKED CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCSc2ccc(Br)cc21 509923665 BKRGSBNJIZAEDB-OAHLLOKOSA-N 468.323 5.623 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510023457 MRYZMNNFLZWPAY-SANMLTNESA-N 489.019 5.744 30 20 JKED CC(C)N(Cc1ccc(Br)cc1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 510093238 GUUOZSKUKBCWQH-UHFFFAOYSA-N 497.393 5.222 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3CN3CCCCC3)c2)c1 511439577 MOAIZPNJTOREJE-UHFFFAOYSA-N 467.573 5.118 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)nc2ccccc21 513655655 SSVYISICVGTSOR-IBGZPJMESA-N 473.330 5.078 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)oc12 516290334 VABLBJSGUSRYBB-QGZVFWFLSA-N 469.497 5.311 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-])c1ccccn1 516714117 QCPBFFKTTVFYAY-UZLBHIALSA-N 494.536 5.648 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H](C)c1cc2ccccc2o1 518555207 KDIOJKXSXQMNMA-GOSISDBHSA-N 453.498 5.645 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2Br)on1 518662871 URBSYJABMSVYRK-AWEZNQCLSA-N 486.391 5.829 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N 518683453 VCFUKFFUVYLXKQ-AWEZNQCLSA-N 475.412 5.160 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1)c1ccc(C#N)cc1 518868940 CNYVTTFAICBIHK-ZDUSSCGKSA-N 472.303 5.612 30 20 JKED O=C(N[C@@H]1CCc2ccc(F)cc21)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 519352217 YWRDESQJWVQYAN-OAHLLOKOSA-N 492.782 5.515 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 520149564 KTVMKSYSZZEXSV-UHFFFAOYSA-N 485.565 5.119 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2sc(C)c(C)c2c1=O 520813416 FNGLXCBACZUBFK-CQSZACIVSA-N 484.672 5.243 30 20 JKED N#CCc1ccc(NC(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 520830832 ANDMXRSLOLOHHB-UHFFFAOYSA-N 455.949 5.623 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C#N)c4cccc(Cl)c4Cl)cc3)o2)c1 520889950 XWPPDSGYKYGGQL-FQEVSTJZSA-N 463.324 6.014 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 521328755 GDVJLBBTXXDPFA-HNNXBMFYSA-N 487.553 5.412 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCCC[C@@H]1c1ccccc1 521387201 SYCCPDWXGPWDLT-HXUWFJFHSA-N 457.368 5.242 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)cc1 521494901 DKJXYZYEQXBAIS-UHFFFAOYSA-N 491.547 5.470 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2Cl)c1 524120001 XSASWDHJDGAJDE-UHFFFAOYSA-N 473.876 5.137 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 524658693 FMAFBBFHDOWMFR-HSZRJFAPSA-N 490.604 5.963 30 20 JKED COc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1ccccc1Cl 553339185 BUNIJNWXPSMIMQ-KRWDZBQOSA-N 466.990 6.432 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(Cc3ccccc3)c3ccccc3C#N)C2)c1 560324611 DUDNHOAOWPAJPL-VWLOTQADSA-N 451.570 5.261 30 20 JKED CC(C)(C)c1cc(CCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc(C(C)(C)C)c1O 603592125 YIDBNJOZOQJQAF-UHFFFAOYSA-N 478.637 5.006 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 603959692 RIKTYTIOYVJSDC-UHFFFAOYSA-N 493.548 5.988 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 603974897 WAVOUYVJRCQUSL-UHFFFAOYSA-N 468.749 5.815 30 20 JKED CN(C(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1)C1CCCCC1 604119088 ZQQDQTKDOFPHEX-UHFFFAOYSA-N 457.530 5.387 30 20 JKED Cc1nc(SCC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[nH]c1Cc1ccccc1 604170800 GBKSOTPQEWBBRA-UHFFFAOYSA-N 492.655 5.055 30 20 JKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604214453 KJZDUTOHQXWGJZ-UHFFFAOYSA-N 463.537 5.082 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](C)c1cc2ccccc2o1 604424835 HIEOORAKOXHHEB-KRWDZBQOSA-N 454.486 5.040 30 20 JKED CCC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C(=O)Nc1cccc(N2CCCC2)c1 608785120 WVZUMBPJOAKBEK-VWLOTQADSA-N 498.587 5.275 30 20 JKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 608840733 AZIKHXMDTJTGKI-GOSISDBHSA-N 499.065 5.312 30 20 JKED N#Cc1c(NC(=O)CCN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)sc2c1CCCCC2 608977110 JEKFGDCOCJXOMW-DEOSSOPVSA-N 497.064 5.319 30 20 JKED Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1NC(=O)c1ccccc1F 609064046 QYYJNSPNULDYEA-UHFFFAOYSA-N 479.511 6.089 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 609079057 HIVATDRBKUSCGD-QHCPKHFHSA-N 474.630 5.541 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 609155962 PZPVRTPLWGAGLK-HXUWFJFHSA-N 499.409 5.043 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)c2)cc1 609421037 DYDFBRYESWBVHO-HHHXNRCGSA-N 453.542 5.024 30 20 JKED C=CCn1c(SCC(=O)NC[C@H]2CCN(c3ccccc3)C2)nnc1-c1ccc(C(C)(C)C)cc1 613932924 NXAGTXZRXLQSCB-OAQYLSRUSA-N 489.689 5.163 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(F)c(Br)c1 614382933 SRLUJTRNAACXMG-UHFFFAOYSA-N 452.324 5.376 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300909 HLCZQVGTNOYVCF-BETUJISGSA-N 490.391 6.340 30 20 JKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 622477737 JGJFQMVUWLVCFQ-QGZVFWFLSA-N 497.842 5.919 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CS2)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281540 IHVSJEXFNCZLIA-ZDUSSCGKSA-N 460.367 5.651 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642714522 MLRUXDCOLMBXFU-IAZYJMLFSA-N 454.308 5.553 30 20 JKED C=CCN(C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)c1nc(-c2ccccc2)cs1 667933212 PTHFIIXFWPPNHZ-UHFFFAOYSA-N 470.554 6.364 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)nnc1-c1ccc(OC)cc1 685007535 VGHJWQKPTXMFIH-UHFFFAOYSA-N 464.513 5.095 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 726403112 YLKPEYXGAHNWQW-WZONZLPQSA-N 461.587 5.225 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2c(C)noc2C)c1 726411891 PDAQONUWDHMHAV-JOCHJYFZSA-N 492.988 5.087 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(CC)cc2)cc1 726571459 KJENAYLYYVVTBC-UHFFFAOYSA-O 463.026 6.337 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC)cc2)[n+]2ccc(C(CC)CC)cc2)c1 726573417 CDLNOVSJDGZBDW-UHFFFAOYSA-O 455.647 6.745 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 728147591 JWBIPINUAJICEZ-HSZRJFAPSA-N 485.971 5.632 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 728422823 LIZLNABWFPYPLJ-KOSHJBKYSA-N 483.597 5.237 30 20 JKED C=CCn1c(SCC(=O)Oc2ccc(C(C)=O)cc2F)nnc1-c1ccc(Cl)cc1Cl 728490888 FRYFAIIKVASTAW-UHFFFAOYSA-N 480.348 5.477 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)Nc3ccc(Br)cc3F)c2)cc1 728668095 LLTUTOUKXSDSBC-UHFFFAOYSA-N 469.266 5.048 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)ccc21 728767184 WYFFLQPMAJMPNE-XMMPIXPASA-N 481.552 5.658 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1-c1ccc(F)cc1 729375812 URROPGBMMBFZLM-UHFFFAOYSA-N 459.502 5.327 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 729379973 MDHKMVCXMNJLKM-UHFFFAOYSA-N 486.297 5.063 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCOCC2CC2)C1=O)Nc1ccc(F)cc1F 730944209 SSZISAIQMWPRKH-FQEVSTJZSA-N 493.963 5.005 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 731064837 YJVWPUHYNCPRNM-QGZVFWFLSA-N 487.606 6.011 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(Br)cc2n1 731074476 OBHVQIKPMCQQKZ-HNNXBMFYSA-N 498.402 5.496 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731307404 RMHHSBIFSOLEIA-ZEQRLZLVSA-N 471.582 5.348 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(CN2CCCCC2)n(-c2ccccc2)c1=S 746032702 GXUKHOPBBUIXKW-UHFFFAOYSA-N 460.651 5.129 30 20 JKED COc1cc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)ccc1OCC(=O)Nc1ccccc1Cl 746346272 OJONWKGAQNQDHR-ZRDIBKRKSA-N 481.980 5.656 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)n2)cc1 747114306 KTHMWFXSMXOJAL-GOSISDBHSA-N 495.416 6.531 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cscn3)C2=O)c1 747600348 AORBTUXEWOIUAJ-HSZRJFAPSA-N 492.670 6.044 30 20 JKED C#CCN1CCC(C(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3Cl)cs2)CC1 747628175 XOBAUTKVQXJKQC-UHFFFAOYSA-N 467.997 5.481 30 20 JKED C[C@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 829696536 BXOXQEFXPVIGAS-LBPRGKRZSA-N 492.746 5.676 30 20 JKED N#CC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)CCCCC1 843863839 SGBSWWVARMMIJM-UHFFFAOYSA-N 486.808 5.404 30 20 JKED Cc1nc(C)c2c(C)c(C=Nn3c(S)nnc3COc3ccc(C(C)(C)C)cc3)sc2n1 874065910 CFACRQIGYXNPOI-UHFFFAOYSA-N 466.636 5.255 30 20 JKED Fc1ccc(OCc2noc(-c3cc(OCC(F)(F)F)ccc3OCC(F)(F)F)n2)cc1 904667636 VQQQEYZCXQVKKS-UHFFFAOYSA-N 466.309 5.337 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 914541361 QMASRIMRSXXDND-MBSDFSHPSA-N 493.032 5.443 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 914543276 HTFHWRGITUWKDT-AOMKIAJQSA-N 496.995 5.273 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCCCn2c(S)nc3ccccc3c2=O)cc1 915086580 LONMBNAOWHVSNO-XMMPIXPASA-N 482.609 5.540 30 20 JKED CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1Cl 915722851 MXSFKFBJRKVXIK-AOYPEHQESA-N 489.019 5.133 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(C#N)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 915991966 NVAPHJXKZBKLBP-LUAWRHEFSA-N 480.442 5.499 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCCc2ccccc2)C1=O 916204862 JLOHPOZJXZWNPE-DEOSSOPVSA-N 473.598 5.288 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916211885 GHFSNRBAELQTFA-RTBURBONSA-N 478.401 5.133 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C)cc2)cc1 916213275 CQCYSDXZXXUCPU-XMMPIXPASA-N 489.597 5.173 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 916217422 MXKSJXNDNUHQFT-IBGZPJMESA-N 480.417 5.380 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 916684263 VHYOEVFHFYBMMT-HSZRJFAPSA-N 475.936 5.258 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916883338 JLBZXZWPPUPWCL-AWEZNQCLSA-N 485.562 6.301 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916886835 KVZBALHDUNFDSB-QGZVFWFLSA-N 461.490 5.309 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1 916891506 VAQQIMTYSMGJCZ-HXUWFJFHSA-N 473.579 5.558 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1cccc(C)c1 917045907 CKPGSCFBJCMQCF-INIZCTEOSA-N 468.007 5.505 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@H](c3ccccc3)C3CCCCC3)nc(O)c2C#N)cc1 917201772 PIVHTHDKESOCFW-XMMPIXPASA-N 488.613 5.259 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Oc3ccccc3)cc2)cc1 917612108 HEVHSFIDLJIRSE-UHFFFAOYSA-O 478.597 6.524 30 20 JKED Cc1c(/C(O)=C(/C(=S)Nc2ccccc2C#N)n2ccc(=[N+](C)C)cc2)sc2ccccc12 917612549 YALYOBNLFRAJSF-UHFFFAOYSA-O 471.631 5.238 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c1C 917669688 DCCJEDBTEGPOMZ-AOHZBQACSA-N 494.636 5.030 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2cccc(C)n2)C1=O 917670292 RAZWFCUWVWTBBX-XMMPIXPASA-N 488.613 5.176 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccc(C)n1 917686788 AWVHHOFGCUCVFO-HSZRJFAPSA-N 458.587 5.113 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3ccccn3)C2=O)cc1 917700554 LHESSJZBGPTWLN-RUZDIDTESA-N 480.593 5.704 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc2ccccc2c1 917700971 NWEWPWKHDGQGQR-OAQYLSRUSA-N 481.499 5.452 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(C3SCCCS3)cc2)cc1 917806143 UJYHOQRZPFNBGX-UHFFFAOYSA-N 460.624 6.453 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2cc(Br)cs2)n1 918487565 PUVITWWDDDAZJA-LBPRGKRZSA-N 466.769 5.249 30 20 JKED N#CCOc1ccccc1C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 919978441 XBYSMXBKLWSLCW-INIZCTEOSA-N 488.396 5.845 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(ccc(Cl)c3Cl)C2=O)cs1 920066591 UOUMIAKHDCBTIA-NTEUORMPSA-N 459.354 6.102 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc(-c2c(F)cccc2F)cs1 920806915 SODCQDKKLBDWEI-XXBNENTESA-N 486.499 6.033 30 20 JKED C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 920815247 BKJFPZWTFHTYMJ-ZDUSSCGKSA-N 488.909 5.266 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 920872381 DHWJMECHIUSQKA-SFHVURJKSA-N 476.964 5.723 30 20 JKED CC(C)(C#N)c1ccc([C@H](Sc2ccccc2)c2c(N)cnc3ccc(Br)cc23)cc1 953066329 VTNFEZGPVROELE-VWLOTQADSA-N 488.454 7.262 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(Cl)cc1Cl)C2 1779513093 QEOUTHAGVQMBIG-ATIYNZHBSA-N 495.491 5.432 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C(F)(F)F)cc2)CCC1 1786781421 UTMTVZGGWYUFGQ-UHFFFAOYSA-N 477.552 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC(=O)N(Cc4cccs4)C3)cc2)CCC1 1786785689 ADYAKPYQHDNFGW-FQEVSTJZSA-N 493.673 5.223 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)CCC2)cc1 1787886762 SWYXBUUKDAKKHR-UHFFFAOYSA-N 475.552 5.348 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4Cl)cc3)CCC2)cc1 1788480949 KDEGOQBIGNXAOJ-UHFFFAOYSA-N 483.959 5.295 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)s3)cc2)CCC1 1788866432 SYMKPSYZWBPIMA-HXUWFJFHSA-N 498.649 5.059 30 20 JKED CC(C)(C)c1cnc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)cn1 1788881931 XIUFJGWJUFSFQC-UHFFFAOYSA-N 481.600 5.026 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cc1 1790081590 CDABTLLLBVKXNF-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nccc(Cl)c3OC)cc2)CCC1 1790142679 FDYJNBICBRTAMB-LJQANCHMSA-N 453.970 5.260 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1 1790188976 VKCFUWFBLIKVLJ-FQEVSTJZSA-N 487.622 5.329 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4ccc(C)cc4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1790318425 MBAWDENHMLZMLU-DEOSSOPVSA-N 489.616 5.308 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C)o3)CCC2)cc1 1790472887 VUIKTVJSRVBQHY-JOCHJYFZSA-N 493.604 5.033 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1790567179 IPGLHZHZAHHEFX-SFHVURJKSA-N 476.602 5.359 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5c(O)cccc45)cc3)CCC2)c1 1790981129 CFPRVWYRFVHBAH-UHFFFAOYSA-N 476.536 5.182 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CCC1 1791419675 PUENEQSCPUMHIH-JKHIJQBDSA-N 495.664 5.226 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1)c1ccc(O)cc1 1791646343 NXOPHPIKGGEFJN-HXUWFJFHSA-N 487.987 5.386 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nc[nH]c45)CCC3)cc2)c1 1792123986 XEKIHLFVCIBKDT-GOSISDBHSA-N 463.541 5.251 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccoc5c4)CCC3)cc2)cc1C#N 1792168773 WGRZSOOCIPHPJA-UHFFFAOYSA-N 494.551 5.548 30 20 JKED CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792230091 NXQZRPDJYJCWPS-QFIPXVFZSA-N 496.652 5.144 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5occc5n4-c4ccccc4)CCC3)cc2)CCC1 1792231576 XYIWNDMLCDCJKN-UHFFFAOYSA-N 478.552 5.665 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CCC2)cc1 1792236462 HKVCYXAHWGHKKE-RPBOFIJWSA-N 483.543 5.014 30 20 JKED CC(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)c(C(F)(F)F)c1 1797023020 ABHAPHIVYKCAHD-RZXSNQJFSA-N 486.538 5.280 30 20 JKED CC(C)c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)cc1 1798422762 QFGQMBNYHJTFKZ-QEIWAGNOSA-N 452.715 5.042 30 20 JKED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1799279748 BXFSNQLYTPIYDH-ACDBMABISA-N 475.555 5.555 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCNC(=O)OC(C)(C)C)C2 1801634436 MKRIWFURCUXBLJ-GPJHCHHRSA-N 477.690 5.092 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)c(N(C)Cc3ccccc3)c(F)c1)C2 1801643817 PZPVIMBYSBUTOO-IITNATTFSA-N 481.587 5.065 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 1802065500 JEPJBRFPDOKWNO-YHINDDMVSA-N 473.455 5.183 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](C)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 1802835422 QTNSALQJBQGIRA-CNPGNWEMSA-N 487.003 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1806542231 KSEFUQCZLNYXKU-QPPBQGQZSA-N 487.566 5.341 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)CC2)C1 1806679008 YKKBQBDEDBCJMJ-UHFFFAOYSA-N 480.649 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1810171082 CQPQAWOVRJNKHO-HEIMIULUSA-N 469.585 5.315 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1810176133 ZVITVWZCVQBJHH-SKVJQKLOSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)[C@@H]1c1cccnc1 1810176237 VPDMPGBNQOPKKL-FICKONGGSA-N 459.634 5.296 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2CCCC3)[C@H]1c1cccnc1 1810179000 VWHBMJDDQDYJJI-OASJLCFRSA-N 457.618 5.048 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)no3)C2)CC1 1810371552 RAJRBKMFWOLXDY-UHFFFAOYSA-N 482.024 5.608 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)[C@H]1c1cccnc1 1810498397 MAYMNTLWNNMXAF-DHLKQENFSA-N 472.589 5.049 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1811228818 LEZQTKOYXQHDDG-AHWVRZQESA-N 475.633 5.347 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1812590289 GYLOLUYBHMEREB-PXARDIRTSA-N 464.368 5.059 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1812592778 TXNPFHGVWKJLPB-CMPZQBNXSA-N 480.823 5.574 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1812593009 WXQSYYGYHQJQIZ-VPKVUBIPSA-N 460.405 5.229 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(F)cc2)[C@H]1c1cccnc1)c1ccccc1 1812896430 BYEBBYIKUUSRLE-BTIIJPOSSA-N 497.614 5.057 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@@H]1c1cccnc1 1813014280 RYIHGQDNYHNIFI-LEDOBFOHSA-N 485.550 5.050 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1813226387 ODILZJBOPRRBMM-NVQXNPDNSA-N 482.024 5.035 30 20 JKED Cc1cc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c(C)c1 1813785719 DARXQPSOYDKHNQ-BKMJKUGQSA-N 487.003 5.165 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)[nH]n1 1814828460 MTOCMBAEDUTDQG-AHWVRZQESA-N 477.653 5.253 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1)c1ccccc1 1815568697 CXYAOVHZYSXMLV-TZIWHRDSSA-N 474.527 5.332 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)[nH]n1 1819305820 OMUJDZJVGBOVKZ-REWPJTCUSA-N 489.576 5.148 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820095953 PJMMDLQMHMXVPY-OAQYLSRUSA-N 471.586 5.282 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)n[nH]2)C1 1820116014 YKOIVNNOQLFLOQ-JOCHJYFZSA-N 485.613 5.892 30 20 JKED CC(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1820591066 QVZXKOXDPFRQDU-JNCYCUAHSA-N 476.602 5.340 30 20 JKED CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1 1820644689 VUESAFDBMDAJDG-XMMPIXPASA-N 455.562 5.048 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310404 UCFYTBWBWZAWJQ-FQEVSTJZSA-N 473.499 5.352 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccc(Br)cc3n2)[nH]n1 1821921206 OFVOBJNLJDWGPH-VFNWGFHPSA-N 496.409 5.239 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c1 1823211082 CFZFFIUBMWXUJE-YWZLYKJASA-N 473.558 5.464 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(F)c1F 1823216664 YTRREFMHYFFEDA-IERDGZPVSA-N 477.515 5.243 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603412 DMYGZGWIMBRZDO-NBGIEHNGSA-N 489.620 5.297 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc(Br)c2C)CC1 1824961228 LKYZDJQYJJWRLL-HXUWFJFHSA-N 497.474 5.049 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1825541099 CCKCZCLKBFUXLY-CTNGQTDRSA-N 495.998 5.338 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1826693644 LYKCYTTWHQAUML-AHKZPQOWSA-N 479.571 5.422 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CNc2ccc(F)cc2)CC1)c1ccccc1 1826837790 KNISSELVMWUXAA-VSGBNLITSA-N 489.635 5.055 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1827298918 CNAGMMOOADDNAS-HSZRJFAPSA-N 466.622 5.449 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827352749 SXXWDDVNLPWKQI-DEOSSOPVSA-N 481.637 5.040 30 20 JKED Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827681060 CIEXWXRYTBPRKV-CYNGKWMKSA-N 478.658 5.048 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccs1 1827683795 KPXROKXAKSVIAU-ZJVMWOEPSA-N 471.022 5.074 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c(C(F)(F)F)o1 1830012924 ZCOABIGSOUUDRZ-OAQYLSRUSA-N 473.495 5.026 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1830472181 RYRJCIRAKJJFQT-IBVKSMDESA-N 461.581 5.308 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c(OC)c(C)c2)CC1 1830676550 KGDQDSYUUZZYLN-JWQCQUIFSA-N 452.639 5.314 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1830715819 OOCBWHWMYPISNG-MHZLTWQESA-N 486.591 5.045 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1830770892 KPWRPHSAQUFRHA-XMMPIXPASA-N 483.534 5.433 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)CC2)c1Cl 1830886723 IGOXPPKVEMCFCS-NRFANRHFSA-N 481.021 5.302 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830977971 LPVBMTYYEKBQBT-RUZDIDTESA-N 469.585 5.075 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1)c1ccc(O)cc1 1830992305 YQLZXSJLQYHSCO-NAKRPHOHSA-N 498.623 5.569 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830994945 KDRZOJADNMPWKV-QHCPKHFHSA-N 454.014 5.248 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccc(Br)cc2)CC1 1831367916 VANMBWRUJFOWKH-XXBNENTESA-N 491.470 5.050 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(c3)CCCO4)CC2)c(Cl)c1 1832561238 PLTNCNXORYYVGN-VWLOTQADSA-N 492.019 5.084 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCCC[C@@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1832706576 XHBPTVNZUVCWAP-GOSISDBHSA-N 494.451 5.420 30 20 JKED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc3occ(Cl)c3c2)C1)c1ccccc1 1844748135 HTKSMNXMYIDRQB-OAQYLSRUSA-N 460.961 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(Cl)c1OCc1ccccc1 1847532740 UZHBTFXSBUTECC-DQEYMECFSA-N 479.020 5.503 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccccc2OC)cc1 10118256 LFUMBOQDUFJGOA-UHFFFAOYSA-O 464.655 5.893 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(CO)c2)cc1 10836914 NOXDXMGLTSNWNE-UHFFFAOYSA-O 474.433 5.948 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 11250113 PIFJPDVENXWZCE-UHFFFAOYSA-O 493.624 6.572 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1nc(-c2ccccc2)cs1 14723863 AEIDWTILRQUVRG-UHFFFAOYSA-N 486.574 5.020 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2F)ccc1Cl 15005567 CRYHILZQJLFQJZ-UHFFFAOYSA-N 497.350 5.905 30 20 JKED O=C(/C(=C(/S)NCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)c(F)c1 22730692 AUZLHUBAHBLQBN-UHFFFAOYSA-O 473.568 5.572 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c1C 22730862 DTNLRXYBQCALJA-UHFFFAOYSA-O 492.665 5.122 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc2scc(-c3ccccc3)c2c(=O)n1C 23523340 DKUBSFKYPKUFSC-MRXNPFEDSA-N 481.668 5.419 30 20 JKED Cc1sc2nc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n(C3CCCC3)c(=O)c2c1C 24018687 ZWNWFAIHGFVFHE-CQSZACIVSA-N 498.699 5.731 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1/C(O)=N/c1nc(CN2CCCCCC2)cs1 29639152 RFLDCSKEZKOVRP-UHFFFAOYSA-N 460.600 5.638 30 20 JKED Cc1cc(N(CCC#N)C(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1Cl 43734712 VEBYWYXNOGZENH-UHFFFAOYSA-N 462.962 5.034 30 20 JKED COc1ccc(-c2nnc(S[C@H](C#N)Cc3ccc(C)cc3)n2C2CCCCC2)cc1OC 71798016 RTKRFEOAMKXRML-QFIPXVFZSA-N 462.619 6.003 30 20 JKED COCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nc2cc(Cl)ccc21 105609032 RBEXJBMSHGJPKU-QGZVFWFLSA-N 456.999 5.072 30 20 JKED C=CCn1c(S[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccccc1F 219005691 BKZJTIMZRFYBKC-IFMALSPDSA-N 466.582 5.027 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc(Br)cc1 263590596 ATLCZWDEYFPENC-HXUWFJFHSA-N 495.402 5.005 30 20 JKED aggregator Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)o2)cc1 302974424 OTRZHXXLXBSWNE-UHFFFAOYSA-N 450.498 5.345 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 479338590 AHZBEDSPYBOFPC-GDLZYMKVSA-N 486.575 5.192 30 20 JKED COC(=O)[C@@H](C)SCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 498123634 FFYZNLIZQKKNSJ-SOIVGHGOSA-N 470.616 5.533 30 20 JKED Cc1c(NC(=O)c2ccccc2Sc2ccccc2C#N)cccc1C(=O)N1CCSCC1 499470443 LMRYSNKHPKJRTA-UHFFFAOYSA-N 473.623 5.459 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)cc1 499692390 ILZYNQXLGLZXBK-QFIPXVFZSA-N 453.901 5.545 30 20 JKED N#CCCN(C(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1cccc(Cl)c1 501059772 XGEFQYBADFBJSG-UHFFFAOYSA-N 497.791 5.648 30 20 JKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 501548612 ZOUUUXXLNRYIIT-GOSISDBHSA-N 495.615 5.177 30 20 JKED C=CCN(C(=O)c1ccc(N(C)CCCC)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 501945441 BYFMMWPHTVZQDA-UHFFFAOYSA-N 483.659 5.283 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 502638405 YLOCZIXYYGFYMK-SFHVURJKSA-N 450.608 5.640 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1Cl 503584586 HQEFKEHCTRKHQI-OFVILXPXSA-N 493.051 5.049 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1 504205626 UUIABAGPWLTUMD-UHFFFAOYSA-N 475.524 5.513 30 20 JKED CCN(CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)[C@H](C)c1ccc(C#N)cc1 505790028 KBPYTSURIFFGJB-HXUWFJFHSA-N 470.573 5.231 30 20 JKED CCN(C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)[C@@H](C)c1ccc(C#N)cc1 509577713 DOETYJQTQNSLRN-KRWDZBQOSA-N 467.978 5.236 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1ccccc1F)c1nccn1C 510525718 WHKHCDWWVQBEIP-DEOSSOPVSA-N 455.493 5.443 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc(OC)c1OC 510733120 QZTNOTCLOFSUCV-QGZVFWFLSA-N 461.518 5.568 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 510874654 OCPUIPQKJAGFOU-UHFFFAOYSA-N 450.542 6.552 30 20 JKED CCN(CC)[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(OC)c1 511460909 UCYUARDGORCCLN-AREMUKBSSA-N 485.588 5.024 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)C(c1nc2ccccc2s1)c1nc2ccccc2s1 513655476 RHAJPTWNTCZIEA-UHFFFAOYSA-N 484.606 5.829 30 20 JKED Cc1cc(C)n(-c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 513953384 NPMHJERGMKBOIQ-UHFFFAOYSA-N 453.521 5.734 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl 514575321 WQNQKIPXXKGFCV-XMMPIXPASA-N 494.016 5.422 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccncc2)c1 514989047 WQWATYTYYZDOCM-DEOSSOPVSA-N 482.005 5.094 30 20 JKED N#C[C@@H](NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1cccc(Cl)c1Cl 517492183 LKJJKNJMVGWUAQ-HXUWFJFHSA-N 472.397 6.011 30 20 JKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Br)cc1Br 518668142 WCJXBWFMNMVNLB-CHWSQXEVSA-N 497.256 5.902 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 518886340 LXURPOVYDRMBEX-HHHXNRCGSA-N 485.584 5.553 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 519083675 HNYQLSUNBSUUDA-AWEZNQCLSA-N 467.000 6.319 30 20 JKED CCn1c(SCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)nnc1-c1cccc(C)c1 521500641 PRCGBMJMKHAAKL-RUZDIDTESA-N 497.624 5.326 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 521736497 MAUIWKYFVSETFV-UHFFFAOYSA-N 490.903 5.065 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 521800541 OYJCPZBIDMYHQO-NSHDSACASA-N 490.242 5.407 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 552167450 YSQUKRVKPAGGBN-AREMUKBSSA-N 455.558 5.132 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnc(Cc2ccc(F)cc2)s1 589043975 KGXXZSCBSFRUNI-RYUDHWBXSA-N 454.411 5.512 30 20 JKED N#CCc1ccc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cc1 603651500 FUWCKRUQLLIQCW-UHFFFAOYSA-N 450.995 5.484 30 20 JKED N#Cc1cc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)ccc1OCC(F)(F)F 603660512 YWZBXWUEEZXHGJ-AWEZNQCLSA-N 460.481 5.521 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603691722 AMPDVOSOOFDMNG-UHFFFAOYSA-N 488.935 5.492 30 20 JKED N#Cc1c(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)sc2c1CCCC2 603749991 PMFITWALSWWIBW-UHFFFAOYSA-N 494.414 5.695 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)cc1 603757202 XIKGIJQITBXHPC-UHFFFAOYSA-N 496.588 5.672 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1 604003678 RYMGVYDAPIIWPY-UHFFFAOYSA-N 473.536 5.377 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 604103490 VBCRDSIDDHRVAV-LJQANCHMSA-N 473.508 5.076 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCC(c3ccccc3)c3ccccc3)c2)cc1 604135483 OSWOLCZEAAUNIW-UHFFFAOYSA-N 489.575 5.218 30 20 JKED COc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1OCc1ccc(Br)s1 604434271 CPNQBRXXQBTPPS-UHFFFAOYSA-N 457.349 5.246 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 604468237 NSCBYOFTNVPFKP-NRFANRHFSA-N 474.992 5.633 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 609061375 BFPBVERRAXMBAA-QHCPKHFHSA-N 453.542 5.054 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1Br 609079883 MZRHEKKRICNVIS-UHFFFAOYSA-N 480.362 5.539 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(NC(=O)c4ccoc4)cc3C(F)(F)F)CC2)c1 609199548 OFRQDLPLKRNBEC-UHFFFAOYSA-N 498.461 5.498 30 20 JKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 609206519 NIWZMAGODYFMFW-RUZDIDTESA-N 487.003 5.764 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CS[C@H](C)c1ccc(OC(F)(F)F)cc1 609371779 XCPYPHCBKHIQAV-LSDHHAIUSA-N 454.539 6.270 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609402071 BWWWMEANXJANHL-AWEZNQCLSA-N 475.492 5.615 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 613907224 BISZELZNENLYLO-OAHLLOKOSA-N 492.979 5.286 30 20 JKED C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 615846044 LMMASIZFNSVOLW-KRWDZBQOSA-N 483.465 5.509 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1cccc2ccccc12 726319298 FNBZBEFCOXGWSH-HXUWFJFHSA-N 479.483 5.872 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1ccccc1Oc1ccccc1 726319646 MOLAYERZKMCAAG-HXUWFJFHSA-N 492.491 5.555 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(C(C)C)cc1 726399272 NAWHDZLQZIKABJ-MHECFPHRSA-N 495.645 5.398 30 20 JKED C#Cc1cccc(NC(=S)Nc2cc(-c3cc(OC)c(OC)c(OC)c3)sc2C(=O)OCC)c1 726450837 JKKJORFLNGZWCK-UHFFFAOYSA-N 496.610 5.408 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 726572723 LJOBYAKZXDETJF-UHFFFAOYSA-O 467.639 6.239 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(C)C)cc2)[n+]2ccc(C(CC)CC)cc2)c1 726573035 WPPTVQKLTQXVMG-UHFFFAOYSA-O 469.674 7.306 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)cc1 727305653 RSHGWOAXEXJUCI-HKBQPEDESA-N 488.587 6.695 30 20 JKED O=C(COc1ccc(C(=O)/C=C/c2csc(-c3ccc4c(c3)OCO4)n2)cc1)Nc1ccccc1 728439847 PFSMKKZRPDCGQB-FMIVXFBMSA-N 484.533 5.452 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1nccn1CC(F)(F)F)C(=O)c1ccccc1 728698791 OVKDFNKPKYOJQQ-HKWRFOASSA-N 455.480 5.475 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCCCC#N)C2=O)c1 728777260 JTLVDIDFLSXBHW-OAQYLSRUSA-N 452.555 5.097 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(CCCCC#N)C2=O)cc1 728778061 PVOWCGMKVPDXIS-QHCPKHFHSA-N 478.618 5.356 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)cc1 729146719 WXPAQNTYYMKGJM-FQEVSTJZSA-N 498.605 5.150 30 20 JKED N#CCn1c(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc2ccccc21 729767412 HZBMEJYMGNEZOR-UHFFFAOYSA-N 473.941 5.805 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O 730460576 BPJUQYHTQURJIX-IBGZPJMESA-N 479.936 5.140 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 730689997 OYYFPTRQVLEEMW-KSFYIVLOSA-N 469.850 6.220 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730720841 WPNUVMHXAOEXHZ-NZQKXSOJSA-N 492.004 5.242 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 730727915 XSBFIJKZIZZTOW-DNVCBOLYSA-N 483.594 5.016 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3cccnc3)C2=O)cc1 730942268 KTDHYMTXCRMGPM-JTSKRJEESA-N 462.550 5.251 30 20 JKED C#CCOc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 730975478 CZMVEXDHDMDBRF-UHFFFAOYSA-N 453.342 5.174 30 20 JKED Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3SCCC#N)c3ccccc3C2=O)cc1C 730996645 URSZAGPSPDVFQO-QJOMJCCJSA-N 453.567 5.949 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1 731068466 AJSNFVNPANVWEW-HNNXBMFYSA-N 481.599 5.317 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731305977 QUPLATMHOTUKHY-BTYIYWSLSA-N 480.977 5.162 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)ccc2C)c1 731306782 DCZSQJUCJIPXKJ-DEOSSOPVSA-N 489.597 5.178 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1F 731307467 GJCRAIDRKUIZNQ-IBGZPJMESA-N 487.553 5.201 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H]2CCc3cc(F)ccc32)c1 731315506 GZNALSLGRZTTEQ-DQEYMECFSA-N 499.567 5.160 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N([C@H](C)c2ccccn2)C1=O 743525699 SAEDDPFOOCDYPS-UZUQRXQVSA-N 492.576 5.259 30 20 JKED COc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)o2)cc1 746418114 LITPBKVROJVBMR-MRXNPFEDSA-N 465.481 5.561 30 20 JKED COc1ccc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)cc1OCCCC#N 747361856 ZAUAGJHDUPAPGF-UHFFFAOYSA-N 483.568 5.655 30 20 JKED N#CCn1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2c(F)cccc2Cl)CC3)cn1 747433513 DZEUGQAYVYFHHB-NTCAYCPXSA-N 457.896 5.486 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cscn3)C2=O)cc1 747602271 ZGXPQYAYNWHXAD-JOCHJYFZSA-N 494.642 5.401 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Oc2ccccc2-c2nc3ccccc3s2)cc1 748167536 VJMHZXPCHFOHFN-UHFFFAOYSA-N 462.552 5.260 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2ccc(Oc3ccccc3)nc2)C1=O 749442836 HLHYQPUKFJAKLC-NRFANRHFSA-N 495.004 5.104 30 20 JKED COc1ccc(C(=O)Nc2nc(CC(C)=NNc3ccc(Cl)c(Cl)c3)ns2)cc1OC 751335204 FEOFEUPHJJJRQF-UHFFFAOYSA-N 480.377 5.145 30 20 JKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(C)c1 779186904 KIVNGQPDZXSDTG-FQEVSTJZSA-N 458.583 5.960 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CC(F)(F)F)C1=O)Nc1ccccc1 799209914 IQRRAPSTRKDEFL-OAHLLOKOSA-N 489.491 5.524 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1ccccc1C(F)(F)F 799211293 JXOKICJWTABVTP-OAHLLOKOSA-N 493.404 5.367 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(Cl)cc1 807675355 GFMOYCSDQMLJLX-SFHVURJKSA-N 480.018 5.710 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N([C@H](C)c3ccccn3)C2=O)c1 837420013 NHUMMOOHRRXTBL-PXDATVDWSA-N 486.641 6.037 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N([C@@H](C)c2ccccn2)C1=O 837424283 REJZVYYEBZBKRH-YADARESESA-N 488.613 5.429 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C2CCOCC2)n1 856617797 GYSOVLYOJPJFDU-UHFFFAOYSA-N 464.953 5.928 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 912843508 KVWSHAWQUSGUPO-IEIRFRATSA-O 478.682 5.322 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cl)s2)C1=O)Nc1ccccc1F 914547721 ZUNGSEVBIMBHJB-SFHVURJKSA-N 473.982 5.701 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N([C@@H](C)c2cc(C)sc2C)C1=O 914691822 TYAOXRNBVCOUMV-SCLBCKFNSA-N 450.029 5.156 30 20 JKED Cc1csc([C@H](C#N)C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)n1 915100143 JTOXECRREWMQGO-DZGCQCFKSA-N 466.613 5.327 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ncnc4sc(C)c(C)c34)n2)cc1 915101882 NVJQZFUBZSBVNG-INIZCTEOSA-N 450.614 5.709 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCc2ccc(C)o2)C1=O 915116935 SXYUPOAUPLLLCP-QHCPKHFHSA-N 477.586 5.108 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)cs1 915354208 XLFVBDRXTPCVCL-BVZFJXPGSA-N 452.583 6.657 30 20 JKED COc1cc(/C=C2/COc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916138801 FZBSVCDSUCKTNG-ATVHPVEESA-N 483.442 5.390 30 20 JKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1csc(-c2ccccc2)n1)C(=O)c1ccccc1 916156258 PWRMJIJKLPRIGH-PXLXIMEGSA-N 468.534 5.486 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(C(C)C)cc1 916205732 JTXYKKXYYNHLNB-QHCPKHFHSA-N 481.618 5.009 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc(O)c2c3c(sc2n1)CCCC3 916847096 LKTBRVFWUDUJFG-HNNXBMFYSA-N 480.496 5.018 30 20 JKED COc1cc(/C=C/C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1OCc1c(C)noc1C 916849061 OHIREVGAMLBESQ-HSRJRILOSA-N 453.498 5.317 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nc(NCc2ccco2)ncc1Cl 916908709 NTGKNNZHZOYQIX-GOSISDBHSA-N 487.903 5.089 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 916948186 DSVCOGHGBPGVPO-YWZLYKJASA-N 462.500 5.114 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 916949510 ORZSWOSWRVDVBK-GJECAEJISA-N 481.552 5.103 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc(-c2ccccc2)cs1 917026345 FNEVTUWEMIWVRP-LADGPHEKSA-N 450.519 5.754 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2c(C)c(C)sc2n1 917042873 IGGYQFAXEXVWSK-CYBMUJFWSA-N 492.573 6.214 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 917045813 AEBLBOKBLXOKMT-INIZCTEOSA-N 454.964 5.113 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046529 FYAOSPNRBBGRSC-OAHLLOKOSA-N 458.768 5.921 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2nc(C(F)(F)F)nc3ccccc23)cs1 917215182 JWVNYGWMBFLUJL-UHFFFAOYSA-N 484.507 5.853 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1OCc1ccc(Cl)cc1 917507140 PGHWREOXIMGPQA-FQEVSTJZSA-N 478.932 5.246 30 20 JKED N#CCOc1cccc(N/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 917605249 XTPWXHWWWKQTSK-JCMHNJIXSA-N 463.415 5.248 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2)n1 917672054 BCMAHRCVQUUHPY-VWLOTQADSA-N 480.593 5.704 30 20 JKED CCCCCCCCc1nnc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)s1 918320595 QYVDXOPKIOLFEP-UHFFFAOYSA-N 469.076 5.647 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)n1 919363617 ARJHIZMHLQFNNO-GOSISDBHSA-N 462.424 5.310 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccn2Cc2cccs2)n(C2CCCCC2)c1C 919619577 DWSNSHSNPZWBBR-UHFFFAOYSA-N 464.591 5.189 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)c2ccc(C)s2)C1=O 920169887 IPBAXPVJNAOJML-KSFYIVLOSA-N 497.617 5.926 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)SC2=Nc2ccccc2)s1 920175139 YWHYEJIJMFKUKQ-NRFANRHFSA-N 493.610 5.224 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O 920189765 MFOSLIXRFJIHTC-UHFFFAOYSA-N 481.508 5.125 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)cs1 920367719 OLVHXRSNWOKVPZ-IQUTYRLHSA-N 497.612 5.469 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccncc2)ccc1Cl 920439835 OGVKONWNJZFFNU-UHFFFAOYSA-N 490.412 5.042 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1 920750172 WLFZOJLSHQEJNZ-WJDWOHSUSA-N 465.509 5.401 30 20 JKED COc1cc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1NC(=O)OC(C)(C)C 920852718 YIZMTLXQMFVDHY-UHFFFAOYSA-N 489.576 5.689 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc2ccccc2c1 920869819 DTBZMZXOKJTISS-KOSHJBKYSA-N 491.613 5.091 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)NCc1ccc(C#N)cc1 920872395 DRXKIJBRKXCWGL-UHFFFAOYSA-N 452.436 5.460 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CCO2)C1 1779243161 QASOTHMQQQFLRN-NDEPHWFRSA-N 491.657 5.332 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)C2 1779274209 NTYWSBBSNBTRHI-PAHOUZJPSA-N 487.084 5.362 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2Oc2ccccc2)C1 1780299996 PVXHTSTVKTYNKL-PDDLMNHVSA-N 490.644 5.599 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC(c5ccccc5)=NO4)cc3)CCC2)c1 1786319061 KEDMGLNYWMCJMI-NFQMXDRXSA-N 492.579 5.255 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786370839 FXXCWAPKQBPGQS-QTYVQNMISA-N 473.617 5.090 30 20 JKED Cc1nc2ccccn2c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1788930057 MFIKOYCVLIKAAJ-IBGZPJMESA-N 477.568 5.331 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1 1789574097 QISRFFKXSJSKHG-WKULSOCRSA-N 475.511 5.201 30 20 JKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)c2s1 1789577610 MNUTYQLZMUJKPA-JFLMPSFJSA-N 472.570 5.065 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3C(F)(F)F)CCC2)cc1 1790564746 NFVSYNQZOUJBQQ-QGZVFWFLSA-N 475.511 5.183 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ccccc45)CCC3)cc2)cc1 1790706118 FFMWVAGCDJLUHK-UHFFFAOYSA-N 476.580 5.614 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)c1 1790766258 QWEHIFNYYLHSCO-RUZDIDTESA-N 453.464 5.191 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CCC2)cc1)C(F)(F)F 1791303501 ZTPSRDAFMSDURG-GOSISDBHSA-N 497.558 5.178 30 20 JKED CO[C@@](C)(C(=O)NC1(c2ccc(NC(=O)[C@@H](C)S)cc2)CCC1)c1cccc2ccccc12 1791577681 QULPNQDBUNJDJR-WXTAPIANSA-N 462.615 5.154 30 20 JKED COc1cscc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123758 QHANFNCERGLXGS-KRWDZBQOSA-N 459.571 5.445 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccccc3c(Cl)c1OC)C2 1793051471 CFPAGSFGILYMON-WKCHPHFGSA-N 467.009 5.522 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ccccc3c2Cl)c1 1797464666 STDKPPRQTNXMQP-REPLKXPHSA-N 463.990 5.300 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1797878062 ZAVFEGBAUYAHLK-QCPNHMKVSA-N 456.747 5.282 30 20 JKED CC(C)(C)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/N2CCCCC2)cc(C(C)(C)C)c1 1798431958 KYALPWMBFNMEKK-XEOJSXGYSA-N 480.697 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@](C)(OC)c1cccc2ccccc12 1799856919 AERNISUHHVKPFU-CPVANYHMSA-N 462.634 5.332 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3cccs3)on2)[C@@H]1c1cccnc1 1802496314 PMTUCFIPLUMQQW-WMZHIEFXSA-N 478.618 5.110 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1802499396 HCKAFIKDMOHMRK-SGIRGMQISA-N 480.052 5.463 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1803079780 PJXLYKVOYYCRGF-OOCOHFSZSA-N 468.601 5.051 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c(F)c2)[C@@H]1c1cccnc1 1803496623 LOGRLGUDDJVVAB-OZXSUGGESA-N 465.613 5.160 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@@H]42)C3)cc1C#N 1803839481 SJMBWGPANHKNOP-AKINCWLHSA-N 477.649 5.204 30 20 JKED CC(C)=CCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1807987086 DLVOPIBQNOZJRA-VEEOACQBSA-N 491.635 5.547 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1809303323 PWJXYZHJMANBCA-AOYPEHQESA-N 470.617 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@@H]1c1cccnc1 1809692192 HIIWVFCYNFWVNL-UUOWRZLLSA-N 480.559 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(C)c3[nH]2)[C@@H]1c1cccnc1 1809747112 IDPBQAXYACKEGH-DHLKQENFSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[C@@H]1c1cccnc1 1812587651 LEHOGPQCZOHKDW-WQHXYCOISA-N 493.611 5.157 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)[C@H]1c1cccnc1 1812592319 MXAXYSXUUJKTRQ-PTJQVGQKSA-N 485.603 5.343 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)CC1 1812790960 ZOPWUKABJJCJPW-MDJJAXGLSA-N 476.596 5.018 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1813227002 OBNSPMZQWFXMSB-AJTFRIOCSA-N 489.019 5.105 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)[C@H]1c1cccnc1 1813228718 QLTMYMWBHGHNBD-PIKZIKFNSA-N 496.636 5.358 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1814744414 YJNUYIJAPQFHOI-NRFANRHFSA-N 472.932 5.167 30 20 JKED O=C(Cc1ccc(F)cc1C(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1 1815546912 FCYFCJSEMWXARL-INIZCTEOSA-N 494.411 5.145 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C(F)(F)F)cn2)n[nH]1 1815906580 TUUBRKDEIKNOAF-PZJWPPBQSA-N 489.542 5.217 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818454362 STHAVFLTTPCXFT-VWLOTQADSA-N 463.541 5.363 30 20 JKED Cc1nc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)c2s1 1818538537 NAMWAMSTDTWXAA-WAIKUNEKSA-N 498.612 5.575 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(F)CCCCC2(F)F)n[nH]1 1818889474 LVIDPXDDUJMTRN-AUSIDOKSSA-N 496.650 5.371 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818941002 KGDCPTRQXYZPPM-HNNXBMFYSA-N 492.395 5.216 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)n[nH]2)c1 1818994902 MKKXHAPCKMSVLZ-VOIUYBSRSA-N 484.535 5.277 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)cc2s1 1819386924 PCYUFKWTXMVNMF-NRFANRHFSA-N 495.725 5.618 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1819478265 VGZONBORGQPHNJ-JMJNUIHMSA-N 495.992 5.296 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C(F)(F)F)ccn3)n[nH]2)c1 1819861257 FXECADVSXRLIRJ-BTYIYWSLSA-N 496.493 5.070 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2SCc2ccccc2)n[nH]1 1820004123 ULYHPRRGKPOEOQ-QHCPKHFHSA-N 487.629 5.206 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)cc1 1820229410 OEFJWVLGSPZNPL-QFIPXVFZSA-N 487.947 5.230 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820236864 GAAPRNYHEWJMKW-RPWUZVMVSA-N 490.579 5.095 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4)n[nH]3)c[nH]2)cc1 1820482708 DAZMQPXWEIXNLN-RUZDIDTESA-N 478.556 5.205 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)cc1 1821179833 GATSNLYKDGVGGS-OAQYLSRUSA-N 487.560 5.449 30 20 JKED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2C1 1821907760 BJFINRIXOAIZGW-QGZVFWFLSA-N 479.627 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc(F)cc(OC)c2)n[nH]1 1822270544 DGDKFYAATQTMGC-DGSRBQDKSA-N 468.573 5.255 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1822381779 UCBBSOCHQHRFQN-GAJHUEQPSA-N 485.613 5.249 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1822576820 TVAKUUXMXHUGGQ-QZMUEMGWSA-N 472.511 5.328 30 20 JKED Cc1ccc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1823144743 AMAGARXXTZMLLK-CYFREDJKSA-N 455.562 5.273 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c1Cl 1823209371 FYXNFTXQMXJJBH-LJQANCHMSA-N 486.334 5.347 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823291875 AIYGXHQECNDHTK-QFIPXVFZSA-N 477.609 5.367 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823685734 FPZBTIKZDKLBBA-DWACAAAGSA-N 482.628 5.051 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)cc1 1823812744 NQMOYZYNGUVOAA-XMMPIXPASA-N 489.616 5.388 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1823890228 MASWFKAEYHYHRV-HXUWFJFHSA-N 483.962 5.071 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1Cl 1824037612 FWJYECCYXIJWKP-SDHSZQHLSA-N 494.010 5.388 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1824387623 MBNHNYAPGCFVAW-BERHBOFZSA-N 489.685 5.728 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1824500062 FJQQYYKDVRXLAH-DEOSSOPVSA-N 495.491 5.529 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828095050 XFZZXSCPBPXOHQ-XMMPIXPASA-N 465.663 5.606 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1828822290 HVBAHOZFPVNWEM-RBBKRZOGSA-N 493.570 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)c(F)c2)CC1 1828825041 RULCJWNQXDAEDK-QPPBQGQZSA-N 461.021 5.410 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2nc(C)sc2C)CC1)c1ccccc1 1829029492 BMWRUZBLUGGYRV-XNMGPUDCSA-N 491.701 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)ccn3)CC2)c1 1829353209 HEOKLLIKIOXZGE-HOYKHHGWSA-N 498.549 5.275 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1C 1829687830 IQBSAPGSYVAYJF-XMMPIXPASA-N 494.035 5.005 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc(C(F)F)c3)CC2)c1Cl 1829688218 SSCPUQSNAXFEBW-NRFANRHFSA-N 486.950 5.091 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)ccc1Br 1830120141 MKRRATGLDDIHQW-DEOSSOPVSA-N 494.433 5.176 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1830417276 ZGHMRLYWHOAPNO-DYESRHJHSA-N 490.069 5.589 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c(Cl)c1 1830579028 PZTDCPVEBSFIIK-QHCPKHFHSA-N 488.390 5.551 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830624785 FVVXCYBPOBPLJJ-VWLOTQADSA-N 480.008 5.076 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1831376353 MRSDDRQLQHOCMD-OFVILXPXSA-N 487.084 5.220 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831448026 CUDLHYNPPRNUGS-FQEVSTJZSA-N 490.488 5.218 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1831849300 SEAAKBFWJXLVCT-QFIPXVFZSA-N 454.014 5.167 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1832033813 DUALSQMGVOENPZ-JOCHJYFZSA-N 457.684 5.303 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1832628786 AYVNJNYYXQMGSL-IBVKSMDESA-N 477.674 5.550 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633440 HSZDPTMRARGQIX-UMTXDNHDSA-N 473.617 5.014 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832634942 YMGMBAJPVSOQPU-AIGGKHBYSA-N 499.655 5.659 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccccc23)CC1 1832792846 BPPNUYAOPCZLKV-HHHXNRCGSA-N 481.596 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CC1 1838373256 FTQGJBNFYYWTEG-HXUWFJFHSA-N 497.438 5.513 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CC1 1838759550 WWXPOCDYWAAJHD-QFIPXVFZSA-N 497.680 5.174 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)C1 1844242891 WPKXVFAIALMJDC-OFNKIYASSA-N 481.637 5.109 30 20 JKED N#Cc1c(N)c(C#N)c2c(c1-c1ccc(-n3c4ccccc4c4ccccc43)cc1)Cc1ccccc1-2 2332241220 IKAAIIXMPMGBKH-UHFFFAOYSA-N 472.551 7.347 30 20 JKED COc1ccc(-n2c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1Cl 9023583 ILVLYJAIMRAMPF-VOIUYBSRSA-N 484.025 5.131 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)cccc2c1=O 9459582 NQMFOOLPXMYKSB-FQEVSTJZSA-N 480.520 5.261 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccc2c(c1)OCCO2 10179516 CHHHWFRIGDIACO-UHFFFAOYSA-O 498.422 5.121 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)nnc1-c1ccccc1OC 10242750 XZZNENHIEBYMRT-UHFFFAOYSA-N 480.924 5.125 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccs2)nc2sc(-c3ccccc3)cc2c1=O 10813046 KFHFCAFJGWLCLZ-HNNXBMFYSA-N 467.641 5.342 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(N(C)C)cc2)cc1 11085107 VMHBOCMDMSHRDD-UHFFFAOYSA-O 497.482 5.977 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccccc2C)cc1 11166037 AYNXGYFYEQRMQJ-UHFFFAOYSA-O 454.413 5.658 30 20 JKED C[C@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 15643721 KWSIBDGJPZWWCG-KRWDZBQOSA-N 472.566 5.304 30 20 JKED C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1ccccc1OC(F)F 15806225 HSZMRMMOJYYGCN-OAHLLOKOSA-N 468.481 5.495 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 16150250 YOGFSLFTBHRKEZ-VWLOTQADSA-N 451.526 5.034 30 20 JKED COc1cc(/C=C(/C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)ccc1OCC#N 18065113 HLHNJZAXXXSIFF-RCCKNPSSSA-N 474.944 5.773 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 21174709 DUFRHKDYCUQBLG-UHFFFAOYSA-N 494.548 5.010 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccccc1C(C)C 21668312 MABAZIAZYSZMHX-QGZVFWFLSA-N 454.571 5.425 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nnc1-c1ccccc1 21754830 GJLVKCSVHLBAHL-INIZCTEOSA-N 471.424 5.033 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1c[nH]c2ccccc12 22117276 SOJBRJZBAGOPNG-WXTAPIANSA-N 472.618 5.259 30 20 JKED C=CCn1c(SCC(=O)c2ccc(F)cc2F)nnc1-c1ccc(Br)cc1 22437108 RXRJVVKACHXONI-UHFFFAOYSA-N 450.308 5.147 30 20 JKED O=C(/C(=C(\S)NC1CC1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1Cl 22688147 ZYXASBBJDKROCI-UHFFFAOYSA-O 456.418 5.563 30 20 JKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(Cc2ccccc2)cc1 22695951 HELFJPBYGHSCHK-UHFFFAOYSA-O 496.612 6.141 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccc(F)cc1 24014867 LNHTTXWMRLAXKS-SECBINFHSA-N 472.414 5.085 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccccc2C)nnc1-c1ccc(Br)cc1 24015695 RABRHXZCOOUSPU-QGZVFWFLSA-N 485.451 5.341 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1C#N 26983743 XBKVYCFPQOOLKB-JTQLQIEISA-N 450.347 5.043 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(C(C)(C)C)ccc1OC 33149215 YMSIUDFTNIHJKO-UHFFFAOYSA-N 461.356 5.043 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Br)cc1Cl 33153408 NXCGVYSUOGOANN-UHFFFAOYSA-N 488.563 5.153 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2ccccc2n1C(F)F 195557328 PRRJJDKBUKPAGO-HUUCEWRRSA-N 491.325 5.467 30 20 JKED CNC(=O)c1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(C(=O)NC)cc3)C2=O)cc1 212798363 BDSLVIWINDNBAV-CTVDDJEBSA-N 464.565 5.020 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1Cl 215720281 IDSQSZDYNWNPSR-XMMPIXPASA-N 479.001 5.964 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nnc(CC(C)C)s2)c1 248192351 MDNVZYOUXYQQFW-UHFFFAOYSA-N 491.038 5.024 30 20 JKED Cc1ccc(-n2c(SCC(=O)N(CCC#N)c3cccc(C)c3C)nnc2N2CCCCC2)cc1 501548050 XLHKZJXLMVFDRM-UHFFFAOYSA-N 488.661 5.222 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)o2)cc1 505622343 PCBKRDBZENCVGW-UHFFFAOYSA-N 469.497 5.594 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 505708547 BHLLVFRRZSJRLW-UHFFFAOYSA-N 476.554 5.328 30 20 JKED C[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 511512467 KZZDIBYSCATSHA-LJQANCHMSA-N 487.991 5.375 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnc1-c1ccc(Cl)cc1 511525462 UUIXBLWISKYBMZ-UHFFFAOYSA-N 485.997 5.222 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccc(F)cc2)cc1 513087834 CTCNMPHQKADYCI-GDLZYMKVSA-N 495.554 6.390 30 20 JKED N#Cc1c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)sc2c1-c1ccccc1CC2 515622309 NWERRNSOKWWSGX-SFHVURJKSA-N 476.001 5.530 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 515711720 WTXKEBBRJTVLQY-UHFFFAOYSA-N 489.818 5.774 30 20 JKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 515962489 NLCQKWDTGWNYME-UHFFFAOYSA-N 455.558 5.017 30 20 JKED C=CCN(C(=O)c1ccc(-c2cccs2)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 516074505 YCELXHRWMBZLFX-UHFFFAOYSA-N 462.556 5.983 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1OC 516270237 QSXGOSQQFZKNML-KRWDZBQOSA-N 472.551 5.313 30 20 JKED CCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 518067029 MHSZAOSIHSHTLQ-NRFANRHFSA-N 466.368 5.636 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC=C(c2cccc3ccccc23)CC1 518258985 FDDSRNCWDNYQFJ-IBGZPJMESA-N 455.583 5.488 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 518480062 HITNSZYSZNHPQO-FUHIMQAGSA-N 480.515 5.090 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc(-c3ccco3)nc21 518642831 PEDVBLDMTUKRMX-QGZVFWFLSA-N 454.515 5.281 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)o2)cc1 518730906 GTDQLMNQUUYCNP-UHFFFAOYSA-N 458.499 5.140 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc(-c3ccco3)nc21 519433150 UJTOFTLLZXSRSW-UHFFFAOYSA-N 499.518 6.549 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)cc1 519455369 HRDFLBYBJZMDAQ-UHFFFAOYSA-N 485.584 5.046 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1C 519945283 VSDPPNCXZPZXFX-UHFFFAOYSA-N 460.541 5.672 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 520514467 JTZIAFKWUDNQTM-DEOSSOPVSA-N 454.961 6.109 30 20 JKED Cc1cc(COc2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2Br)on1 520717370 UQNJOGNDVCHQNW-UHFFFAOYSA-N 482.378 5.495 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C(F)(F)F 521474908 GSSHHKFQSRBHIF-KRWDZBQOSA-N 460.887 6.218 30 20 JKED N#CCCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 521716872 QSEUYZUZCJYBPS-UHFFFAOYSA-N 498.457 5.039 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCOc4c(-c5ccccc5)cccc43)cc2)cc1 523230728 NHJCPBWGSVURAZ-MHZLTWQESA-N 489.531 5.596 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)o2)cc1 524391708 YZYHNWVITCRHNJ-UHFFFAOYSA-N 451.526 5.980 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1 524438433 FQCRFIPFSQKLDC-UHFFFAOYSA-N 494.551 5.290 30 20 JKED COc1ccc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c(C(F)(F)F)c1 573100077 MDNYRXIXBGJCHY-UHFFFAOYSA-N 491.306 5.849 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 587988707 HSBGXTSTFRXJFL-MRXNPFEDSA-N 478.455 6.317 30 20 JKED N#Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)c1 603698084 RXUSLPBORDPSKA-AREMUKBSSA-N 484.559 5.593 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)s2)cc1 603995332 DHGBKQFFTYDZPJ-UHFFFAOYSA-N 468.538 5.503 30 20 JKED CC(C)C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 608864612 KNSNYUJABJDKRN-IBGZPJMESA-N 475.515 5.061 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 609173784 XDNBIZQAMBOLHF-BVZFJXPGSA-N 459.571 5.086 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)cc2Cl)cc1 609207299 OSDDHKCKWPAHFX-UHFFFAOYSA-N 499.958 6.465 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 609376873 LDTXHRAECPLIIK-MWTRTKDXSA-N 454.567 6.689 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1nc2c(s1)CCCC2 611765382 GRIXXTONMFPMEE-UHFFFAOYSA-N 486.391 5.463 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2cnn(CC)c2)s1 726116822 LVQJNRRDGHCAFE-JOCHJYFZSA-N 495.674 5.304 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCC2=CCCCC2)cn1 726117514 BZLFSVILTAXZEN-OAQYLSRUSA-N 487.576 5.032 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726319236 DAHDUOPEPZBZMC-CQSZACIVSA-N 493.894 5.761 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/[C@@H](C)c1cccs1 726415035 DWCHMIREAYVTEH-VTOOHPLASA-N 455.649 5.175 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@H](C)c2cccs2)cc1 726420944 KFOMWWUVYUDHTC-UKIVZVEXSA-N 493.654 5.485 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc(Cl)nc2)cc1 727161072 ZNLLEQZCJYCNCL-UHFFFAOYSA-O 496.056 6.020 30 20 JKED COc1ccc(NC(=O)NCc2ccc(OCC#N)cc2)cc1OCc1ccc2ccccc2n1 728123133 BGQAIPNQNCBMIK-UHFFFAOYSA-N 468.513 5.046 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1 728736361 BNCSNVANUZOGEB-HSZRJFAPSA-N 469.463 5.206 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCCCC#N)C1=O 728776434 BQFIBCIJBKJRMT-HXUWFJFHSA-N 488.972 5.142 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)cc1 728780579 UTLUXIFLCRYDNM-OAQYLSRUSA-N 470.545 5.181 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)cc1C 729141911 DSRWQJKSMKAQJE-HXUWFJFHSA-N 464.616 5.229 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C#N)c2cccc(OC)c2OC)cc1 729429329 KWLPWZFAJQAKFM-DEOSSOPVSA-N 469.541 5.174 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(F)cc2)cc1 729668146 DFXVVALAEGACQB-UHFFFAOYSA-O 469.558 5.447 30 20 JKED CCCOc1c(Br)cc(Br)cc1CNCc1ccc(OCC#N)cc1 729685256 APQFSLWBSVTHOU-UHFFFAOYSA-N 468.189 5.193 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)cc1 730459728 MRRRVLGDPHCZRD-HXUWFJFHSA-N 473.957 5.195 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CCC2)c1 730463241 VGDWEGXUAWDVMJ-LJQANCHMSA-N 490.398 5.409 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(-c2c(F)cccc2F)cs1 730695420 SNSBLBQHRACDEX-LBPRGKRZSA-N 459.930 6.160 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730719910 KVBJFOYPOMPILI-JOCHJYFZSA-N 490.972 5.642 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944254 UUNLSJYBTNPTCU-JTSKRJEESA-N 479.005 5.765 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 731067352 QJLDBWDJXQSXRU-INIZCTEOSA-N 494.594 5.234 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1N(C)c1ccccc1 731072729 OKFCVCQWLGBAKH-IBGZPJMESA-N 459.571 5.502 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 731078706 PNYQSGCWTOFSSR-QGZVFWFLSA-N 489.528 5.537 30 20 JKED C#CCOc1cccc(NC(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)c1 731109683 WUNYZGKASHVABC-XMMPIXPASA-N 469.541 5.151 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)cc1 731309325 VTGKREPQLGOUNO-UUOWRZLLSA-N 488.613 5.632 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(C)C)c1 731312848 QJKQICHLHWCFGX-OAQYLSRUSA-N 494.642 5.441 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 743446729 BWAFDOHLCQBCFF-YOEHRIQHSA-N 466.390 5.693 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cc(C)ccc2F)[n+]2ccc3c(c2)CCCC3)N=C1C 744116833 RLQJCTKNVOFQNJ-UHFFFAOYSA-O 478.613 5.618 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(N)c2C)ccc1Cl 746479336 UARNVQHIOBZUPV-UHFFFAOYSA-N 490.412 5.518 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(CCOC(C)(C)C)C2=O)cc1 746693857 FUHCATBPDDOFGN-QFIPXVFZSA-N 499.608 5.112 30 20 JKED COc1cc(C(=O)/C=C\c2cccc(OCc3ccccc3Cl)c2)ccc1S(C)(=O)=O 747061968 RYSLQOSBUQXPGI-BENRWUELSA-N 456.947 5.227 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)cc(C)c1 799217489 QTGUYCDCIDLIIU-SFHVURJKSA-N 460.386 5.204 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N([C@H](C)c3ccccn3)C2=O)c1 837299861 OXHGUSTYAWCPII-PXDATVDWSA-N 486.641 6.037 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccccn1 837325629 OVMMWVWBJBLWJG-KSFYIVLOSA-N 496.995 5.904 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3ccccn3)C2=O)c1 837738653 XKEWWAFRPCVCLK-WZONZLPQSA-N 493.032 6.073 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@H](C)c3cccnc3)C2=O)cc1 837884766 UUNLSJYBTNPTCU-VGOFRKELSA-N 479.005 5.765 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@H](C)c2ccccn2)C1=O 838534259 MDLACPBDRJOTQU-IVZQSRNASA-N 496.539 5.090 30 20 JKED CCOc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(C)cc3C)=C2C)cc1 839950960 UJGBDRAATAOKGA-HHHXNRCGSA-N 496.636 5.922 30 20 JKED C=CCc1cc(OCC)ccc1OC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 864094979 RMGYPKVRPOBFBV-OAHLLOKOSA-N 458.605 5.368 30 20 JKED C=C(C)Cn1c(SCc2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)nnc1-c1ccco1 904597914 LEQMKWUZVBJJEH-UHFFFAOYSA-N 498.996 5.108 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)cc1 913365717 LPHJNYSLLGJULN-UHFFFAOYSA-N 470.978 6.020 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914544682 ZOFRXAJYKPGFDZ-IRLDBZIGSA-N 471.985 5.231 30 20 JKED COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)OC(C)(C)C 915224579 VHHRKHCNCXWMLA-HNNXBMFYSA-N 484.622 5.683 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2scnc2C)cc1OC 915988011 PFYGVSCWRFMBHB-XBXARRHUSA-N 472.950 5.036 30 20 JKED COc1cc(/C=C2/CN(C(C)C)C/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 916135919 XZIXKEGBQFSZKI-KRXAGUMUSA-N 478.372 5.182 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)c(F)c1 916141380 GZDQMXYRCYKVLI-XFFZJAGNSA-N 469.896 5.410 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CC2)C1=O 916217837 XDMVRYDCUFMLBE-HXUWFJFHSA-N 491.535 5.617 30 20 JKED Cc1cc(CSc2ccccc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)on1 916449827 OTJGBDUOJSGSRI-UHFFFAOYSA-N 469.566 6.173 30 20 JKED N#Cc1cccc(OCC(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)c1 916604660 KWRUPUNIIPFIQP-FQEVSTJZSA-N 498.402 5.035 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916883442 RLDHCUNOMFTGJB-GOSISDBHSA-N 465.296 5.400 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)sc2C)cc1 916887719 QAKTVEBANFCKBI-IBGZPJMESA-N 472.538 6.008 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)COc2ccc(Cl)cc2C2CCCCC2)cc1OC 916935058 KYYXTMXEXPUHAY-HXUWFJFHSA-N 470.953 5.131 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 916949291 NLWUIJHMFQRZTC-VGOFRKELSA-N 459.571 5.153 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 917044656 UOMPFTXEZBNJIB-QGZVFWFLSA-N 472.492 5.435 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1nc2cc(Cl)ccc2s1 917046971 NYDSKGDQNTXDKH-OAHLLOKOSA-N 493.038 6.590 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1SCc1ccc(C#N)cc1 917506576 BGLHNVZLHZJMKY-OAQYLSRUSA-N 485.565 5.178 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)cc1 917667483 VLTZPDUIFNXCPQ-UBFVSLLYSA-N 490.673 5.397 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CCc3ccc(C)o3)C2=O)c1 917704372 YYIYSDPDWNZNRB-DEOSSOPVSA-N 486.597 5.280 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc([N+](=O)[O-])ccc1I 917716510 FBJOGCRFPFYVHU-UHFFFAOYSA-N 475.267 5.052 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2ccc(F)cc2)c1 917778198 PBLFREZNKFXBQM-UHFFFAOYSA-N 458.942 5.137 30 20 JKED O=C(Nc1ccc(-c2ccccc2)cc1F)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 919662427 KAAVVBDAVWTBEY-GASCZTMLSA-N 462.365 5.021 30 20 JKED COc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1NC(=O)OC(C)(C)C 919815377 FXBMXEAJAODKRT-UHFFFAOYSA-N 473.529 5.745 30 20 JKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 920636074 QXDDEVIUWAVVHP-LBPRGKRZSA-N 490.384 5.017 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OCc1ccccc1 920803813 DNNZTGFMRLNUBS-SFHVURJKSA-N 476.504 6.166 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4scnc4C(F)(F)F)CCC3)cc2)cc1 1785880632 OPOILTQVZWAOJR-UHFFFAOYSA-N 484.503 5.024 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OC(C)(C)CC4)CCC2)cc1 1786372438 YECYIGBXLDUIBR-LJQANCHMSA-N 462.590 5.129 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)CSc3ccc(F)cc3F)CCC2)cc1 1786389889 SZIGECFENITYAF-OAQYLSRUSA-N 464.603 5.145 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc5c(c4)OCO5)cc3)CCC2)c1 1787804053 HLHABXGCUDIUAO-FQEVSTJZSA-N 495.579 5.423 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccn5c4)cc3)CCC2)c1Cl 1788412385 WHHFWXNGQZXORY-UHFFFAOYSA-N 474.973 5.587 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c(C(F)(F)F)o1 1788618614 LGIAXDYEQLYSLS-OAHLLOKOSA-N 496.489 5.690 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)ccc5c4OCO5)cc3)CCC2)cc1 1788988917 FFSVBTUENCGHIJ-UHFFFAOYSA-N 473.916 5.002 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)nc3)CCC2)cc1 1789508011 AEZOWVOUXYXFOO-UHFFFAOYSA-N 451.618 5.020 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)ccn4)cc3)CCC2)c(C(F)(F)F)n1 1789719274 ALNHVFSSFKHZPA-UHFFFAOYSA-N 499.880 5.082 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc1 1790148375 TWJVEFSMWXAXNA-UHFFFAOYSA-N 477.568 5.355 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCCC4(F)F)CCC3)cc2)ccc1F 1790521742 XYRUWRRRBKCOTI-OAQYLSRUSA-N 469.507 5.199 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5nscc45)cc3)CCC2)cc1 1790941221 KZTCLGQOHPDODI-UHFFFAOYSA-N 466.566 5.158 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc([C@@H](C)NC(=O)OC(C)(C)C)cc3)CCC2)cc1 1791589098 HDOJEMDMVIFJDU-LJQANCHMSA-N 477.605 5.596 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)CCC2)cc1 1791593618 XFWHZLRMQFZYBA-UHFFFAOYSA-N 487.600 5.677 30 20 JKED Cc1cccn2ncc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@H](C)C#N)c5)cc4)CCC3)c12 1792126675 KIRQGRLCCNEHHE-HXUWFJFHSA-N 477.568 5.331 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1oc3ccccc3c1C)C2)c1ccccc1 1798554709 UNBAQJOWPFSEAG-STAYPELNSA-N 454.570 5.190 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)c1Cl 1799305808 NEYYEHQYROZEDR-ACDBMABISA-N 498.970 5.519 30 20 JKED CCCCCc1ccc(/C=C/C(=O)NC[C@H]2CCN(C(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)cc1 1802994388 BIAMWDJGULFRMH-BFRVEMNMSA-N 472.633 5.083 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1803083355 BKWRLJDBNOZLSB-RDGATRHJSA-N 478.036 5.241 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C2CCC(F)(F)CC2)[C@H]1c1cccnc1)c1ccccc1 1803327346 MCMRGPIFTXNJOZ-UODIDJSMSA-N 493.598 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(Cl)s2)[C@H]1c1cccnc1 1804281951 OHBVRIBOHPBJNY-PGRDOPGGSA-N 460.043 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1804374254 JLCUIVNGVLDRML-KXSDPGGVSA-N 468.601 5.051 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCCC(=O)Nc3ccccc3)C2)CC1 1805475705 KBMFYYKCXYDCMZ-UHFFFAOYSA-N 467.654 5.019 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1806454077 LXRPJXSZXOQDIN-FYYOVZQQSA-N 480.612 5.103 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)CC2)C1 1806678933 SFZFTMGIQXVYMQ-UHFFFAOYSA-N 487.065 5.266 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1810501748 CUHHSESEYPGTJD-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCSCc2ccc(C)cc2)[C@@H]1c1cccnc1 1810501952 FTPQWOXCSVLLCP-AHKZPQOWSA-N 493.717 5.712 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@@H]1c1cccnc1 1812074254 IKUXEWKUAFQEPJ-DRLORSAXSA-N 489.019 5.371 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1812258625 AGKDLEIUXUDLAJ-NLFFAJNJSA-N 491.035 5.595 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)c1cccc2c1oc1ccccc12 1812302140 POGMWMNWNIFGEW-AYWVHJORSA-N 499.570 5.352 30 20 JKED Cc1ccc(OCCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1814632064 ZPRZBWDUAPGRCQ-QHCPKHFHSA-N 491.979 5.018 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)[nH]n1 1814826898 FYHGNKCJNHLLQT-JOCHJYFZSA-N 473.577 5.447 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1815089950 CGSHZVLTUFAGRJ-DVECYGJZSA-N 487.629 5.087 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSC2CCCC2)n[nH]1)c1ccccc1 1815184915 SEMUNGLBLZQJJP-UPVQGACJSA-N 478.662 5.275 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1)c1ccc(O)cc1 1815558108 LZPKEHKHNANZMW-DDZLNHKNSA-N 488.563 5.015 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC(F)(F)F)n[nH]2)cc1C#N 1815572230 IBGCSUABLPRISB-IBGZPJMESA-N 491.514 5.107 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC(F)(F)F)n[nH]2)c1 1815573537 WOIINHMCEPQNJQ-KXBFYZLASA-N 461.488 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(F)cc3Cl)n[nH]2)c1 1815579254 XZEXMLONNHCJNK-WAIKUNEKSA-N 493.970 5.378 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815656915 MSAWKTVBGZFQGS-HSZRJFAPSA-N 476.602 5.427 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c1 1817828164 KGOBFMDOSLJTGO-YWZLYKJASA-N 473.558 5.464 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)[nH]n1 1819306003 UTPIZOCEVNUWAI-XUZZJYLKSA-N 469.589 5.546 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1 1819384846 AZURMCWYNITNAX-FQEVSTJZSA-N 481.698 5.310 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)c1 1820469761 PGYSIGJUJNPKBN-OAQYLSRUSA-N 481.478 5.228 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126905 BFBZVDYKFZFGRP-ACJLOTCBSA-N 499.921 5.189 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4c(Cl)ccnc4c3)n[nH]2)cc1 1821382348 CRUSVVNWKNBASU-DEOSSOPVSA-N 498.974 5.032 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1821923049 SIUVGWOUICNPIR-NLFFAJNJSA-N 481.600 5.848 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1F 1823210536 HBKIHZBTHOLESX-CLOONOSVSA-N 487.579 5.423 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c(Cl)cc2F)CC1 1823886781 PBEKBZBXBALWCT-LJQANCHMSA-N 498.824 5.025 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)c1 1823973701 HIQWVQJRDBXUJL-SIBVEZHUSA-N 494.035 5.257 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c1 1825032249 PHESIKRIEZJUBD-QHCPKHFHSA-N 484.065 5.068 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccnc(C)c2)CC1)c1ccccc1 1825043883 NTHYGXZXXFKDPJ-VMPREFPWSA-N 485.672 5.140 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825763885 QYWJTNYVBKJVNB-RUZDIDTESA-N 475.633 5.652 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCCC2)CC1)c1cccs1 1826269679 QJMXJNCPZCXPHC-SDNYCIMKSA-N 456.652 5.077 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(F)cc(F)c3)CC2)c1 1827181492 CXMUBPIFOOKDBF-SIBVEZHUSA-N 479.571 5.068 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827733035 YXQWNUFBIVIDJP-CVDCTZTESA-N 485.024 5.424 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828314781 GFZWONUMMAAGDR-VWLOTQADSA-N 474.004 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)CC1 1828525122 WOFHCRDXNVNENM-DEOSSOPVSA-N 464.606 5.443 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(F)ccc(F)c2F)CC1 1828822096 WPPRKNMWUDLOBN-XXBNENTESA-N 462.556 5.035 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C)n2)CC1)c1ccccc1 1829030503 PMROFUOJWCKGAD-URLMMPGGSA-N 485.672 5.140 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829451985 RSZVVQWHSLQEHP-GOSISDBHSA-N 473.466 5.271 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)CCC1 1829574079 XKKAHKKXTZAMOK-HSZRJFAPSA-N 484.600 5.355 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1830420547 CTYJSTLUBJVMJM-CUNXSJBXSA-N 475.633 5.388 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831306497 GCCVDQUCLLFBHU-NRFANRHFSA-N 464.437 5.095 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1)C(F)(F)F 1831451280 PMPMMMGUICVIOD-FQEVSTJZSA-N 475.511 5.002 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1)c1ccc(O)cc1 1831921107 KOXNZXIGJHCYKV-DZQQEKJOSA-N 490.669 5.284 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1832030544 SIAJVZOVEDTTJS-AREMUKBSSA-N 468.613 5.041 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1Cl 1832661170 WFELTYYSGRYBFB-UQBPGWFLSA-N 494.035 5.523 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1832692723 BNVWHWJWXZYOQW-RPWUZVMVSA-N 468.638 5.014 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)CC2)C1 1832713376 OBXDFMHBPBILIK-NRFANRHFSA-N 453.385 5.332 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1832795259 SOWVBEHBUVWXPN-WXFUMESZSA-N 489.582 5.089 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)CC2)c1 1832902302 WKQWDAAIFMGOJV-VHFRWLAGSA-N 457.618 5.351 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(C(F)(F)F)nc4ccccc24)C3)c1 1846829538 WEMPQQGSGSGHSG-QGZVFWFLSA-N 492.501 5.011 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C3)c1 1846833081 PKVPCRLOTKEMHS-HNNXBMFYSA-N 475.898 5.117 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(OC(F)F)cc1 10172751 YEPRYVOGKXMOHH-UHFFFAOYSA-O 486.564 5.336 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)n1 10636656 NTGOKEFWYDLJEV-FQEVSTJZSA-N 461.518 5.091 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(SC(F)F)cc2)[n+]2ccc(N(C)C)cc2)c1 11113722 GXWKFOGVRFDCSH-UHFFFAOYSA-O 486.633 6.023 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11160071 HSLBHXUGWGUGDX-UHFFFAOYSA-O 469.605 6.372 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccc(C)c(C)c1 11160243 PMBOKLZLGYVPGQ-UHFFFAOYSA-O 465.642 6.871 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCc3ccccc3C2)nc2scc(-c3cccs3)c2c1=O 11382141 QEHKMXWDJHBGJQ-MRXNPFEDSA-N 493.679 5.438 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(SCC)s2)nnc1-c1ccc(Cl)cc1Cl 14740289 RQQMSZGVBUPZIK-UHFFFAOYSA-N 487.463 5.132 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccc(C)c(F)c2)c1 14872346 HILUQGRRWLJHDK-UHFFFAOYSA-O 458.376 5.543 30 20 JKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1 15231693 LYYQRPDEWGUAJB-QGZVFWFLSA-N 484.836 6.020 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)cc1 21254372 RKMBCJVNUKGPKT-UHFFFAOYSA-N 456.498 5.017 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nc2sc(C)c(C)c2c1=O 23405016 OCWRZQZONNUNIL-OAHLLOKOSA-N 462.040 5.650 30 20 JKED CC(=O)c1sc(/N=C(\O)c2sc(COc3ccc(F)cc3)nc2C)nc1-c1ccccc1 23442696 XXFHAGXAZAZQQN-UHFFFAOYSA-N 467.547 6.132 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 23998853 REQZTHBHXVBJME-IBGZPJMESA-N 491.661 5.699 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(C(CC)CC)s2)nnc1-c1ccc(Cl)cc1 32062443 AYSJWQXEGMRAOD-UHFFFAOYSA-N 463.032 5.270 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 33196084 SFPPACUYANQRJE-NXEZZACHSA-N 472.788 6.082 30 20 JKED O=C(CCc1ncc(-c2ccccc2F)o1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 33196661 NJEZXONHPRXDMG-VXGBXAGGSA-N 452.370 5.439 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1 60351453 PCFANBOVMUDOFQ-UHFFFAOYSA-N 462.933 5.699 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cn3c(-c4ccc(Cl)cc4)n[nH]c3=S)c2)c1 106317114 CEKCQCWROHDYEZ-UHFFFAOYSA-N 475.961 5.350 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 108471179 RTEADFNZTZTJRV-HXUWFJFHSA-N 464.934 5.149 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 108738718 ZMIZOMVGUGWSFL-UHFFFAOYSA-N 458.461 5.263 30 20 JKED C=CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S 208951300 OBAYHALNJBHHQN-HYARGMPZSA-N 477.611 5.003 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2-c2ccc(Cl)cc2)cc1 255933432 LTEQUNKYXWWSIO-UHFFFAOYSA-N 481.990 5.260 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 255952680 WAMDRWOUKACKKY-INIZCTEOSA-N 483.515 5.799 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2NC(C)=O)nnc1-c1ccc(Cl)cc1 478240493 SPXULZDAJZWJKR-UHFFFAOYSA-N 476.389 5.127 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)Nc4ccc(F)cc4)CC3)cc2F)c1 481593019 BYVKBYHDBNFBHW-UHFFFAOYSA-N 490.510 5.298 30 20 JKED Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cn2)cc1 483928441 PQNDWKZIFATANJ-UHFFFAOYSA-N 469.501 5.157 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 490644972 BLMZIJJIQAGAHB-UHFFFAOYSA-N 457.530 5.775 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 498380032 ZQYCJNINJRFICE-UHFFFAOYSA-N 467.382 5.341 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 503499908 WHVBUWVNZXBIDQ-UHFFFAOYSA-N 460.557 5.372 30 20 JKED CC(NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)(c1ccccc1)c1ccccc1 504572095 DLJJWXPKILVZFJ-UHFFFAOYSA-N 466.541 5.103 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)nnc1-c1ccccc1 505034528 DJIYWYFEJXRTDF-KRWDZBQOSA-N 488.642 5.566 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)c2)cc1 508934962 PTTNROBEJOTGJX-UHFFFAOYSA-N 460.961 5.672 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)cc1Cl 510642312 ADIPEWQDHXNFHM-JOCHJYFZSA-N 479.005 5.483 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c2)c1 511533490 VIDJSIZLNQHQQZ-QFIPXVFZSA-N 460.559 5.085 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 512487239 SDNJUZXWJULAQK-GOSISDBHSA-N 450.583 6.058 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 512962902 XAYGOHNLKTYCEB-UHFFFAOYSA-N 471.582 5.845 30 20 JKED C[C@@H](c1ccccc1)n1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1 515486783 CCGJENJAZZLJCF-RBUKOAKNSA-N 453.571 5.545 30 20 JKED COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)CCCCC2)cc1 516352891 XDVRGJJDIUJQQM-UHFFFAOYSA-N 498.583 5.019 30 20 JKED Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccccc3SC[C@H](C)C#N)nc12 517462047 ZJZXGISLGREDKM-GOSISDBHSA-N 456.571 5.726 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)cc1 517731901 UBNMRPQGUQBSDO-IBGZPJMESA-N 456.552 5.612 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccnc3OCC(F)(F)F)s2)c(C(F)(F)F)c1 518285944 CDLPCQVZJGMDPT-UHFFFAOYSA-N 486.397 5.213 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)cc1 518516513 HYCDSICXPJEJQL-HXUWFJFHSA-N 470.579 6.002 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)cc1Cl 519107169 VICNTKASMJZNEA-JOCHJYFZSA-N 499.933 5.107 30 20 JKED CC(=O)Nc1cccc(OCCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 519186951 XHPUJUZLGIIDOB-HSZRJFAPSA-N 462.937 5.154 30 20 JKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@H](C)C#N)cc1OC 519443990 UBYDAFGEVFRYTE-WRDGEJPTSA-N 455.558 5.361 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2c(F)cccc2F)cs1 521263249 DYIUDMZRGJTNON-IBGZPJMESA-N 499.498 5.375 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3ccccc3)Cc3ccccc3F)s2)cc1 524662371 LRUKAUGKPQTJIM-UHFFFAOYSA-N 489.601 6.075 30 20 JKED Cc1nc(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)sc1SCC#N 562890464 VIZBOSNSDXXROB-UHFFFAOYSA-N 484.006 5.288 30 20 JKED C=CCc1cc(CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 589774922 OCTVAKWRDDGOED-NRFANRHFSA-N 465.377 5.022 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 590234507 JDTFUGUNULBTAZ-UHFFFAOYSA-N 497.168 5.459 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 590235117 RBVJJXJILLUQLK-OAQYLSRUSA-N 456.542 5.373 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CCC)c2ccccn2)nnc1-c1ccc(Cl)cc1Cl 591229048 UBHFZEBYVNCCKU-LJQANCHMSA-N 476.433 5.583 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)cn2)cc1 603764771 LWZLTGDZATZMCT-UHFFFAOYSA-N 479.323 6.279 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1Cl 603766199 NBCANXUBHKZZJN-UQBPGWFLSA-N 459.958 5.563 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 603780369 BGVDKOBLJOZLFO-UHFFFAOYSA-N 494.414 5.236 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)c1C 603902176 KRTYYMUHFUABBH-UHFFFAOYSA-N 474.630 5.558 30 20 JKED N#CCCCOc1cccc(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)c1 603972281 DYNJUYVJJGXGMV-UHFFFAOYSA-N 479.378 5.448 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 604044460 QIWIZWWFTXVKCB-LJAQVGFWSA-N 477.564 6.328 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)cc2)cc1 604464201 JNYGAUKTTMPCKU-NRFANRHFSA-N 453.420 5.099 30 20 JKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 608803799 AFOHJEGTAXUKQN-IBGZPJMESA-N 453.498 5.195 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N(CCc3ccccn3)Cc3ccc(F)cc3)cn2)cc1 608891796 KZPRKHJRMAKYHZ-UHFFFAOYSA-N 467.504 5.556 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cc2)c1 609064369 RHABWVLUXBAOKK-UHFFFAOYSA-N 473.488 5.190 30 20 JKED N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)cc1 609077197 FXBGKNCNLCVIOF-UHFFFAOYSA-N 474.879 5.060 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2 609079770 KGBBVWGUMJBSFO-HNNXBMFYSA-N 460.921 5.168 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 615485610 LBKYIXXHRWNVEE-UHFFFAOYSA-N 483.565 5.164 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(OC(F)F)cc1 616383235 OOSQEGZNUJNFTC-VIFPVBQESA-N 470.316 5.142 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4)n(-c4ccccc4)n3)n2)cc1 619756499 GKSHKVRVDPKIHD-HSZRJFAPSA-N 471.545 6.025 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCCC(=O)Nc1cc(Cl)ccc1Cl 644450418 SNTOJHUIBUUBFS-UHFFFAOYSA-N 481.380 5.610 30 20 JKED C=CCN(C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1nc2c(s1)CCCC2 668092218 HGGCIHABAWBVNS-UHFFFAOYSA-N 496.596 5.303 30 20 JKED N#CCSc1ccccc1C(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 726173201 IFKWDELWOFXYNX-UHFFFAOYSA-N 473.545 6.498 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@@H](C)c2cccs2)cc1 726419043 BQCSESIZEMHSIB-SHZNUGFISA-N 479.627 5.347 30 20 JKED CN(C)c1ccc(/C=C2/N=C(SC[C@@H](C#N)CCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 726782920 QYJNWHPTVZSDJU-SDLXJUDFSA-N 495.555 5.274 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727232927 AQQVLOZREWDIOP-FUHWJXTLSA-N 468.431 5.613 30 20 JKED CN1C/C(=C/c2csc(-c3cccs3)n2)C(=O)/C(=C/c2csc(-c3cccs3)n2)C1 728438407 WLUHMBZQTICIEV-DJJIWSAGSA-N 467.666 6.038 30 20 JKED O=C1/C(=C\c2ccc(-n3cncn3)cc2)CCc2nc(-c3ccc(Br)cc3)sc21 728438624 IVZZCRVYGBVSRR-WJDWOHSUSA-N 463.360 5.366 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3scnc3C)C2=O)c1 729141496 AJWJAOHHGPRRRB-NRFANRHFSA-N 494.642 5.237 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2ccc(COc3ccccc3Br)cc2)c1OC 729436032 ZHKDAKSBDZBRKP-FQEVSTJZSA-N 481.346 5.040 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1 729562480 XUDHOEKOSUIUOC-LADGPHEKSA-N 496.652 5.144 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cc(F)ccc2F)C1=O)NC1CC1 729632000 XAGHCQVGRBKZOT-SFHVURJKSA-N 497.539 5.080 30 20 JKED Cc1cc(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)sc2n1 729677890 DHRYCOUCBPIXLM-AWEZNQCLSA-N 453.589 5.299 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 730994683 LRMJFGFDSAJINH-KRWDZBQOSA-N 492.066 5.409 30 20 JKED Cc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)sc2c1 731078297 OFRPGQGSEJZNAR-AWEZNQCLSA-N 458.992 5.910 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCC2=CCCCC2)c1 731308232 MEEFFSZUPFBBHW-QHCPKHFHSA-N 479.602 5.252 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(F)c(F)c1 731310538 JYCOQJZFPQBSNJ-QFIPXVFZSA-N 481.524 5.139 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 731318780 KORLVWPZMVEZAR-LPYMAVHISA-N 490.947 6.117 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(C3CC3)C2=O)c1 745990203 NJGPYTGBNXJFQA-HXUWFJFHSA-N 488.009 5.097 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3cscn3)C2=O)cc1 747603429 RQUQDCLPSWJBIC-QFIPXVFZSA-N 476.627 5.101 30 20 JKED CN(c1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1F)C1CCCCC1 749262564 QLPNYXDRUKOTAT-UHFFFAOYSA-N 477.584 5.349 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3ccccc3cc2NS(C)(=O)=O)cc1 751140840 ARMYYAAQDRKLMT-UHFFFAOYSA-N 487.537 5.136 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc2ccccc12 799209830 GFNPCXCMPOHMLB-OAQYLSRUSA-N 481.499 5.452 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2F)cn1 837302298 YVQAXRYOTJRAOS-QFIPXVFZSA-N 492.576 5.007 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1 856575964 AOLZPHWQMGBJFZ-LJQANCHMSA-N 460.509 5.436 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 914481601 BOFBPTBPHPTUPG-FBMGVBCBSA-N 459.571 5.023 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 915087850 YCTFTYMLMHXJMM-SANMLTNESA-N 473.598 5.159 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 915102302 VUHCAGPMOAQDMC-LJQANCHMSA-N 470.520 5.625 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 915103332 SSPCXZOTSDNLEE-IEBWSBKVSA-N 458.370 5.561 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915104079 JTSDEZMLIPYNDN-HNNXBMFYSA-N 486.500 5.443 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc2cc(C(F)(F)F)ccc2s1 915104562 RPCBNAAXSKMPBN-AWEZNQCLSA-N 459.424 5.918 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC(F)F)cc1 916212054 RKAWJHASYLBDRD-GOSISDBHSA-N 497.951 5.320 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(C3CCCC3)C2=O)cc1OC 916213158 AIJPIGFOJKPLNF-NRFANRHFSA-N 488.009 5.260 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccccn3)C2=O)c1 916217697 VCWYNJSWQPWLRE-QHCPKHFHSA-N 472.614 5.476 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 916708109 JVZKEWFKUDWGDK-VMPREFPWSA-N 495.623 6.323 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1sc2cc(Cl)ccc2c1Cl 916928669 QROTUKKUTFBBHT-NSHDSACASA-N 458.153 6.476 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945063 RGSMBXLVRCRPDC-QGZVFWFLSA-N 464.761 5.660 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc1 916948256 FMPYKKLBNZORJO-LHSJRXKWSA-N 466.379 5.642 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 917029527 CSXCHBTXMNNGSY-UHFFFAOYSA-N 474.546 5.191 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 917044654 UOMPFTXEZBNJIB-KRWDZBQOSA-N 472.492 5.435 30 20 JKED C=CCOC(=O)c1sc2[nH]c(-c3ccccc3-c3ccc(Cn4cccn4)cc3)nc(=O)c2c1C 917259841 HBXJQEVBMUXLKU-UHFFFAOYSA-N 482.565 5.215 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN[C@@H](c2ccccc2)C(C)(C)C)c1=S 917433077 VTQBWWBDEAZXAE-VXKWHMMOSA-N 450.608 5.447 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cccc(CSc2ccc(C)cc2C)c1 917506404 YVMOSKBIWBQDKF-QFIPXVFZSA-N 488.609 5.923 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3o2)C1=O 917675653 UITUHVSKUSVBKZ-DEOSSOPVSA-N 485.565 5.602 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(COc3ccccc3)c2)CC1 917854842 MPUYVNPBQBJJPY-UHFFFAOYSA-N 468.513 5.240 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 919250951 FLOHJTMEJISADI-FQEVSTJZSA-N 490.007 5.702 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3nc(-c4ccc(F)cc4)no3)n2)cc1 920139589 VMHBXHCFFUZLET-IBGZPJMESA-N 462.506 5.207 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 920140871 KMDNPXIYBRODSL-DEOSSOPVSA-N 461.546 6.188 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccc(F)c(F)c2)C1=O)NC1CC1 920351574 AZFJNBXFXHQXAM-GOSISDBHSA-N 484.355 5.072 30 20 JKED C[C@H](C#N)CN(C)C(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl 920448397 DBVMAZCIYSBGLR-LLVKDONJSA-N 494.322 5.045 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N/C[C@@H](c1cccs1)N1CCCC1 920944500 YEJGDDHZOGTKHT-VYXQJKENSA-N 458.219 5.235 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 926219981 JOMIBTNNWXIFBJ-SFHVURJKSA-N 482.005 5.501 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 928681511 LXEAGXBHEBVSMM-GOSISDBHSA-N 486.503 5.138 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)C3)CC1 1780811340 MIEZHTQWZAHJBD-UFHPHHKVSA-N 488.789 5.158 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Oc3ccccc3)cc2)C1 1780879988 OWVQSKZAOQQPKO-PDDLMNHVSA-N 490.644 5.599 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)CCC2)cc1 1786371582 PAGHYYNNPIEFDG-QGZVFWFLSA-N 478.980 5.069 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)cc2)CCC1 1787133432 MXFFPFNJEQYKBY-GOSISDBHSA-N 461.537 5.160 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C)cc(C#N)c5)CCC4)cc3)[nH]c2c1 1788975033 NFJNNGRXDOFIDC-UHFFFAOYSA-N 478.552 5.418 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cc[nH]c45)cc3)CCC2)c1 1789094091 UUKGBGKSMQDBHH-UHFFFAOYSA-N 464.525 5.110 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)cc2)CCC1 1789192047 SULKDYRLOPGSCX-NKKJXINNSA-N 464.654 5.009 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)cc2)CCC1 1789990451 KNWJCQFTYNZFJH-KRWDZBQOSA-N 470.598 5.296 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(-c4ccncn4)noc3C)cc2)CCC1 1790025505 XDYSECRPOFWTOY-UHFFFAOYSA-N 473.577 5.180 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)CCC1 1790131557 LURUAFDNZREIGL-UHFFFAOYSA-N 461.953 5.028 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cc2)CCC1 1790137813 YIVGYCODWGBRBS-UHFFFAOYSA-N 461.953 5.028 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)[nH]n4)CCC3)cc2)c1 1790258433 RWBBBWLRMILAMR-UHFFFAOYSA-N 461.525 5.010 30 20 JKED Cc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785305 DDNGRNQILXFLQT-UHFFFAOYSA-N 482.462 5.243 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CCC2)cc1 1791574896 SCZHRJLYLXWYBJ-KRWDZBQOSA-N 470.598 5.296 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCc3cncc(C(F)(F)F)c3)cc2)CCC1 1791772816 XYTIHQSYRPLBIP-UHFFFAOYSA-N 481.465 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@](C)(OC)c1cccc2ccccc12 1792524549 TTWFTYNICVLEAV-GZVVLECJSA-N 460.618 5.108 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(C(F)(F)F)nc2sc3ccccc3n12 1796434611 QYHIGKVXPKXXBF-JONQDZQNSA-N 490.551 5.032 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3ccccc23)cc1C#N 1797301025 KRTVHPQVOAMACX-BKFWDETESA-N 467.569 5.064 30 20 JKED COc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C)cc(C#N)c2)C3)cc2ccccc2c1Cl 1799336318 SGHAYGOMEKQAHX-KOUNCHBCSA-N 487.987 5.248 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(OCC)c(Cl)c1 1800592196 PRNFUMHHATUFME-BCDXTJNWSA-N 450.982 5.122 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 1801208772 NMYMDBMKOVJJCY-HUJKARHJSA-N 488.569 5.002 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)[C@@H]1c1cccnc1 1802499841 JSSMTSXRIVQTBN-LPUCNNDASA-N 475.633 5.192 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CCCc3ccc(C(F)(F)F)cc3)[C@@H]2c2cccnc2)C1 1803491355 OHORQBOVPAUQEP-OFVILXPXSA-N 485.550 5.095 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ncccc3-c3ccccc3)CC2)C1 1805454948 MKXADTLAMHUSBK-UHFFFAOYSA-N 457.618 5.362 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1808702557 CJLZRVDLFCPARU-GHTZIAJQSA-N 477.527 5.314 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1808852764 OMEKEGYSOIHCDH-WLENULPWSA-N 499.036 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1810503286 PIFUCSVOQWHEIP-XXBNENTESA-N 477.630 5.314 30 20 JKED Cc1occc1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811251090 HCPIUCYLXCXLRQ-PXJZQJOASA-N 489.575 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(F)F)cc2F)[C@@H]1c1cccnc1 1811390097 NDIINMLNDBOBID-GCJKJVERSA-N 489.538 5.134 30 20 JKED Cc1c(Cl)ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)c1Cl 1813768348 MPHNJTFAOOFNRO-RDPSFJRHSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1813820627 DMAXIBWVXQFSQR-QPPBQGQZSA-N 451.998 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813964167 JMRYDEQOVMLCJT-NOXFTYBFSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C23CC(c4ccccc4)(C2)C3)[C@@H]1c1cccnc1 1814290495 YSYXXWQRPVSLCM-ZYKLVTIJSA-N 471.645 5.202 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(Cl)cncc3Cl)n[nH]2)c1 1814366987 PAPZKUHTVMZRTE-VBKZILBWSA-N 497.386 5.358 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)CC1 1814739200 OSUGMNNMUGYMQA-XMMPIXPASA-N 475.637 5.513 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)CC1 1814739971 OKYLBUQAMOZEOT-APTRMMRNSA-N 461.610 5.123 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1815245886 VTMYXPYFWNUMPQ-IUODEOHRSA-N 461.440 5.038 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ncccc4c3)n[nH]2)c1 1815478010 SHDJBCBPTVCPQN-AFMDSPMNSA-N 492.583 5.134 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(F)s3)n[nH]2)cc(C(F)(F)F)c1 1816029604 VJSFMECSMVDPFB-INIZCTEOSA-N 491.470 5.120 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)oc2C(F)(F)F)n[nH]1 1816468613 CIAAXEZCMVYDBS-QGZVFWFLSA-N 466.504 5.628 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818811109 YGHLDVZAZBCRJQ-ZOGNMOHXSA-N 493.567 5.366 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1 1820220012 FDXBSCXKLARKRZ-JOCHJYFZSA-N 491.979 5.343 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3c(Cl)c2OC)n[nH]1 1820235762 RILIFVWXGSIXMY-HXUWFJFHSA-N 499.036 5.450 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3Oc3ccccc3)n[nH]2)CCC1 1820436998 JRCOWUILGJOAIH-QFIPXVFZSA-N 469.545 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4nscc34)n[nH]2)c1 1821520239 DJZNDZUHXUKOMJ-MWTRTKDXSA-N 484.585 5.266 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1)c1ccc(O)cc1 1821538183 FRCJOJDSWZUIAO-OFVILXPXSA-N 496.567 5.365 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(Cl)cc4)CC3)n[nH]2)cc1 1821840858 WPIDILBVHVQYDW-HSZRJFAPSA-N 487.991 5.167 30 20 JKED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(OCc3ccccc3)cc2)C(C)C)[nH]n1 1821877664 FVSGJQJEWCKOCM-LBNVMWSVSA-N 484.600 5.054 30 20 JKED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(OCc3ccccc3)cc2)C(C)C)[nH]n1 1821877675 FVSGJQJEWCKOCM-NAKRPHOHSA-N 484.600 5.054 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1823131263 QYZDFYFVCXJECQ-QMHKHESXSA-N 491.979 5.318 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C#N)CC1)c1ccc(Cl)cc1 1823887848 POPQGDVMLAQNCA-XZOQPEGZSA-N 458.046 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)CC1 1824156716 YVIICRNCKPTUEI-VWLOTQADSA-N 481.681 5.408 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824249194 PCEURGTZJSSXSN-ZPZUNKDASA-N 490.088 5.500 30 20 JKED Cc1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1824678420 XIQPKVFSPYPVAE-NRFANRHFSA-N 489.563 5.494 30 20 JKED CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CCCCC1 1827327373 CLRNQAHYLZGLRE-NRFANRHFSA-N 490.570 5.176 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)cc12 1827414028 UMYJHVHHKJIODN-NRFANRHFSA-N 478.643 5.085 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(CC)CCC2)CC1 1828476124 WCTMZOGJKLYIHW-PKTZIBPZSA-N 489.701 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1828827687 RKQXIJGKNQLLGR-GOTSBHOMSA-N 474.686 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](C#CC)c2ccc(O)cc2)CC1 1828831613 WFUWGOXIELJSEF-ITHJLQSDSA-N 476.661 5.277 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sc(C)cc3[nH]2)CC1 1828832099 YVAZNIDNDARZCZ-OFNKIYASSA-N 453.652 5.540 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNc2ccc(F)cc2)CC1)c1ccccc1 1829033486 VXLSCMOKVLAWCQ-NSOVKSMOSA-N 489.635 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689908 CNTKCDCHGJTLSG-GGAORHGYSA-N 454.014 5.213 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)CC2)cc1 1829779544 GEHNSYRIIHFOHH-MUUNZHRXSA-N 480.612 5.409 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)c1Cl 1830577504 ORVPRSCAMRJMGM-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2)CC1 1830582400 MYDNJMNOGZFCFQ-XZOQPEGZSA-N 460.565 5.290 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccco3)CC2)cc(C(F)(F)F)c1 1830755081 OGHQEJPHBRDCIZ-HSZRJFAPSA-N 487.522 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)CC1 1830771633 FRKBXAZHCCOQBJ-BVAGGSTKSA-N 470.629 5.615 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830778072 VMAIVDTUILQBLC-DFBJGRDBSA-N 479.571 5.447 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1 1831297670 KZKIHQJOTLTKAT-RUZDIDTESA-N 497.561 5.247 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1831375878 GPQNZZOYBHZFSZ-NVPSQMSFSA-N 473.455 5.294 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1)C(F)(F)F 1831455580 SZRDEQSRWUUKPK-YADHBBJMSA-N 468.535 5.304 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1831565383 FRZGTLHARAIPJJ-WHSBFGAESA-N 489.664 5.130 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831790973 LEZCWWIQIHEBRX-OGAWYMSISA-N 498.667 5.313 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1 1832038149 ZXOUZUHCAMUCPW-HHHXNRCGSA-N 489.685 5.075 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cc(C)cc(C)c3)CC2)c1 1832044118 GRWPJDYHXUXPNE-MUUNZHRXSA-N 487.644 5.050 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)cc1 1832554536 LUIWXSOWBSEAPL-NDEPHWFRSA-N 469.629 5.302 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)CC1 1832672420 BQKUCLPYIULIGV-RPWUZVMVSA-N 459.030 5.350 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2cc(Cl)ccc2c1=O 9085537 PHXYZSSCBOFCTQ-LLVKDONJSA-N 452.338 5.148 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccccc1OC 10118170 WWIGSGLBADQDNH-UHFFFAOYSA-O 470.412 5.359 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2cc(C)cc(C)c2)cc1 10172482 GNISJXGZJAMSNY-UHFFFAOYSA-O 468.440 5.967 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)ccc1Cl 10680475 QEDRTHLNWVYTEM-UHFFFAOYSA-N 458.012 5.342 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2cccc(Br)c2)[n+]2ccc(N(C)C)cc2)c(C)s1 11089330 DPMHUZQHGGNBQE-UHFFFAOYSA-O 489.484 5.532 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccc(F)cc1 16835756 DHWZWJWNMIJAHH-AWEZNQCLSA-N 460.962 5.360 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccc(F)cc1 22033667 SDINQEAASFAYLX-XMMPIXPASA-N 472.589 6.359 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22693948 UNYCZCGJOOTUQW-UHFFFAOYSA-O 461.651 6.338 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC 23871483 RRLWDRKMZUEHRC-CQSZACIVSA-N 477.417 5.416 30 20 JKED C=CCn1c(SCC(=O)OCc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 24163064 BTGDONZCKLDVKB-UHFFFAOYSA-N 459.358 5.145 30 20 JKED C=CCN(C(=O)Cn1c(=O)cnc2ccccc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769967 NFNXAMMCRTXIMC-UHFFFAOYSA-N 471.369 5.046 30 20 JKED C=CCN(C(=O)Cc1nn(C)c(=O)c2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769969 DCYZGOYZTSOATH-UHFFFAOYSA-N 485.396 5.126 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29956854 QBPXSCUYSSNWOF-IVZQSRNASA-N 464.447 5.126 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1-c1ccoc1C 32324879 KBEDIPJKUAPETM-SFHVURJKSA-N 465.406 6.095 30 20 JKED Cc1ccccc1-c1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cnn(C(C)C)c2n1 78720127 SCHHACRQMMOHDR-IBGZPJMESA-N 469.614 6.634 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cs1)c1ccc(F)cc1F 206979444 IYTIRYHQXJLONQ-CLFYSBASSA-N 452.404 6.021 30 20 JKED N#CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)c1ccccc1 214771652 DFQWHOLQCJFBCO-ZPHPHTNESA-N 479.561 5.497 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2(c3cccc(F)c3)CCCCC2)CC1 303027446 QFWSRADQIOOGFS-UHFFFAOYSA-N 476.552 5.180 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 303051991 RUJMNWIZNXJNID-VWLOTQADSA-N 480.490 5.447 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 303291777 BFVGTDJXPYWJGE-VQIMIIECSA-N 466.657 5.994 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1 483410776 KRDANOXBGFWKAS-DEOSSOPVSA-N 454.592 5.370 30 20 JKED O=C(CSc1nnc(NCC(F)(F)F)s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 489055868 UPPLQHOUZLDREX-UHFFFAOYSA-N 484.369 5.281 30 20 JKED CCCCc1ccc(N(C(=O)CCc2c(C)nc(O)c(C#N)c2C)c2nc3ccccc3s2)cc1 499096805 MUEAGEAVGVOODB-UHFFFAOYSA-N 484.625 6.526 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1[C@@H]1COc2ccccc2O1 501115377 YUCBAGFXEUKKEJ-LIRRHRJNSA-N 481.965 5.533 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c1C 501607660 QUNNXQSQDBYXRP-UHFFFAOYSA-N 471.586 5.492 30 20 JKED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(CSc3ccccc3)cc2)cc1 503769100 ZQKKWNWLILLKGE-QHCPKHFHSA-N 459.596 5.004 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 506985562 JWPBNFKKXGJXPH-HNNXBMFYSA-N 472.467 5.261 30 20 JKED CCN(C(=O)CCc1ncc(-c2ccccc2Br)o1)[C@H](C)c1ccc(C#N)cc1 509575183 MGLNMAPBANKBGQ-MRXNPFEDSA-N 452.352 5.518 30 20 JKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511473585 ISQNHGXTWIPCJU-UHFFFAOYSA-N 468.435 5.373 30 20 JKED C=CCOc1c(Br)cc(CNCc2cc(Br)cs2)cc1OCC 512841450 ROOYUBMSLJDVHV-UHFFFAOYSA-N 461.219 5.526 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1 516845892 DKWQUAXAXHFLTR-UHFFFAOYSA-N 470.598 5.277 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518742060 SWXMPROVSVRBAR-SANMLTNESA-N 466.541 5.154 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(Oc2ccccc2)cc1 519436390 MGTWTJWLFCOJCT-UHFFFAOYSA-N 499.514 5.758 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)n2)cc1 520075655 QTRTYLLASPYIEM-MRXNPFEDSA-N 481.389 6.602 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 520193465 RFBJIRFOOASQSI-FDDCHVKYSA-N 478.017 5.773 30 20 JKED COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 520582367 DQNDJPDKWOROHY-UHFFFAOYSA-N 475.520 5.882 30 20 JKED COc1cc(-c2noc(CCC(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc(Cl)c1OC 520924113 JFOIXQGGSAIWLF-CQSZACIVSA-N 486.981 5.373 30 20 JKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc2cc(Cl)ccc2s1 523229717 YCTCKPRLYYRERZ-OAHLLOKOSA-N 476.970 6.268 30 20 JKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)c1ccc(C(F)(F)F)cn1 523251511 XQQFDPJFYOOCHS-GOSISDBHSA-N 470.447 6.768 30 20 JKED COc1ccc(C2(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CCOCC2)cc1 545289746 YRFIKMJTHCOLDG-UHFFFAOYSA-N 456.542 5.141 30 20 JKED N#Cc1ccc(CN(C(=O)c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)s2)C2CC2)cc1 571911508 CLHNYSKAWCDOPQ-UHFFFAOYSA-N 480.593 5.101 30 20 JKED C=CCn1c(SC[C@H](O)COc2ccc(C(C)=O)cc2)nc2sc(-c3ccccc3)cc2c1=O 588380568 LAFQPZCQNOQGGE-HXUWFJFHSA-N 492.622 5.046 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 589732753 OAGNAVOLJPGUDN-UHFFFAOYSA-N 455.558 5.047 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2C)cc1Cl 603739837 KLMIWWMVRMLTED-UHFFFAOYSA-N 485.975 6.000 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3(c4ccccc4)CCOCC3)s2)c(C(F)(F)F)c1 603757619 DSMYMQUOSYMVQS-UHFFFAOYSA-N 471.504 5.311 30 20 JKED Cc1cc(C)n(-c2ccc(CC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)n1 603814532 DEILOXYRHBXMRA-UHFFFAOYSA-N 450.542 5.315 30 20 JKED Cc1nc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)sc1Cc1ccc(F)cc1 603975269 QDURTCSVBHQFHS-UHFFFAOYSA-N 491.548 5.156 30 20 JKED CCc1ccc(-c2nc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cs2)cc1 604003871 NBBXOKCKSVSCNK-UHFFFAOYSA-N 467.594 6.199 30 20 JKED COc1ccc(OCc2nnc(S[C@H](C#N)Cc3ccccc3)n2-c2ccccc2F)cc1 604012375 JWWNWFWPRSLRIS-NRFANRHFSA-N 460.534 5.221 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 604103699 HIBVOUNHGMAEDS-JOCHJYFZSA-N 496.398 5.352 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(OCc2cccnc2)cc1 604361790 LQHRMTMPMJZHNL-HXUWFJFHSA-N 464.525 6.207 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)s2)cc1 608983632 LYAPGJNDZUNQKO-FQEVSTJZSA-N 456.930 5.003 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)cc2)c1 609064371 RQTBGEHWYKKNFY-UHFFFAOYSA-N 473.488 5.190 30 20 JKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[nH]c2c1 609123771 ZLRDJKIJBDBLBU-DEOSSOPVSA-N 469.520 5.830 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)c2)cc1 609176597 OVTSBLSCBOFZRP-FQEVSTJZSA-N 459.933 5.495 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C 609214057 OVXOLLFNXWQBDG-QVKFZJNVSA-N 458.425 5.724 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C 609214058 OVXOLLFNXWQBDG-VFNWGFHPSA-N 458.425 5.724 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1F 609253550 AVHFMJCPPCFKOP-UHFFFAOYSA-N 473.939 5.545 30 20 JKED Cc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)NC2CCN(CC#N)CC2)cc1 609330667 SVWHSJVUDWIPFZ-QOCHGBHMSA-N 450.586 5.138 30 20 JKED CCOc1ccc(CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)Cc2ccc(C#N)cc2)cc1 610880971 VGVSVGWRSXTRAB-UHFFFAOYSA-N 470.978 5.156 30 20 JKED N#C[C@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344350 IWTYLSGRMBEUQN-QGZVFWFLSA-N 490.375 6.317 30 20 JKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616409349 JYWSPWOVNKSGEH-VIKVFOODSA-N 492.391 5.582 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)Nc1ccccc1F)C(C)C 639394380 MALHPQAKFCJURI-NRFANRHFSA-N 458.534 5.077 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnc2ccccc2c1C(F)(F)F 642158956 YXNRDVAQQUNUDV-URLYPYJESA-N 458.324 5.893 30 20 JKED CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)NC23CC4CC(CC(C4)C2)C3)cc1 725762386 RMBVNGGHUIBALX-UHFFFAOYSA-O 492.709 5.691 30 20 JKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1-c1ccccc1Br 726321091 DMCRAMRVOGLCNX-MRXNPFEDSA-N 491.172 5.723 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CC2CCC2)C1=O 726416428 WCZCOOSRSKWEOW-HSZRJFAPSA-N 481.618 5.243 30 20 JKED COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1 726446329 YOVRUKYNUFHKSJ-UHFFFAOYSA-N 450.995 5.690 30 20 JKED CC(C)(C)c1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc3c(c2)CCCC3)cc1 726572236 SUYNPBIYIAEKRR-UHFFFAOYSA-O 486.661 5.657 30 20 JKED COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SC[C@@H](C#N)CCC#N)c1 726786516 YUOMKBYINDEIRY-DEYGKZMTSA-N 458.587 5.739 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2C2CC2)cn1 726891729 NKTJSXWPQFDQHK-JOCHJYFZSA-N 488.569 5.005 30 20 JKED Cc1ccc(N(CCC#N)C(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 726940103 HPWWSSWSIPKJNX-UHFFFAOYSA-N 476.374 5.499 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(CCCCC#N)C2=O)cc1 728779358 YVEWIALQLQYRTF-HXUWFJFHSA-N 486.544 5.251 30 20 JKED C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2)C(=O)N(C)CCC#N 728982113 REIRVWMIOXVIBN-HMNTXPNISA-N 459.571 5.091 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\[C@@H](C)c1cccs1 729146831 ZCYJJBBDEOMREQ-ZMEVCAEBSA-N 488.635 5.242 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)c(C)c1 729632792 AMTRJPXCBIBUDN-HSZRJFAPSA-N 458.587 5.167 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O)Nc1cccc(Cl)c1Cl 730460572 BLHBJKPAZJKYMA-KRWDZBQOSA-N 466.365 5.645 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@H]2CCCO2)c1 730530521 GCFATBBPUFCGIQ-FYYLOGMGSA-N 465.619 5.005 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2cocn2)C1=O 730712413 LQVMINAJGQXQGE-QFIPXVFZSA-N 497.020 5.920 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 730727918 XSBFIJKZIZZTOW-HNAYVOBHSA-N 483.594 5.016 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnn1-c1ccc(OC(F)F)cc1 731165687 DAINWDUWQBSMRG-QFIPXVFZSA-N 459.456 5.085 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(Cl)s2)C1=O)Nc1cccc(O)c1 731305900 HUUQTVURJPWFSD-GOSISDBHSA-N 489.981 5.407 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N([C@H](C)c3cccnc3)C2=O)cc1 743525638 RGJISVBGTJMPJE-WZONZLPQSA-N 476.577 5.559 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1 747016895 GWEBGQYKDXAEFG-RPWUZVMVSA-N 475.495 5.076 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O 747600237 OCNMOOZXFKJGIR-OAQYLSRUSA-N 494.642 5.135 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCc1nccs1 747601937 JLPPBKWCVHAVOD-LJQANCHMSA-N 482.606 5.102 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc2c(c1)OCCO2 766959903 KPFDIZHEUYTLEV-GOSISDBHSA-N 494.400 5.135 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1OCc1ccccn1 819843378 XIHURGQFKVZGCK-UHFFFAOYSA-N 452.539 5.290 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccc(F)c2)C1=O 837739143 AVURXHZOGNXTDQ-HSZRJFAPSA-N 495.551 5.176 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](C)c2cccnc2)C1=O 837783784 PRTPGGKIFSLIRO-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccs2)c1 838276337 AYSIUVBTZGBRRH-JOCHJYFZSA-N 479.627 5.480 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cccs3)C2=O)c1 838558224 OUWVZZDCYLXSFC-HXUWFJFHSA-N 487.553 5.195 30 20 JKED COc1cc(/C=C\C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1c(C)noc1C 863967375 YVHFQYPQURXFGO-LUAWRHEFSA-N 463.559 5.343 30 20 JKED COc1ccc(N=Cc2cc3ccccc3nc2O)cc1S(=O)(=O)Nc1ccccc1Cl 912775605 XNFHECASKFCISO-UHFFFAOYSA-N 467.934 5.154 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc(Cl)cc2)cc1 912822352 GNOLVYLPEJROBQ-UHFFFAOYSA-O 467.014 5.674 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694312 HGQKOPGEHZPVIW-IVZQSRNASA-N 499.539 5.158 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 914694758 UHVOMQONFDFQAY-SZNDQCEHSA-N 487.503 5.288 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1nc(-c2ccc(Cl)cc2)cs1 915101654 JUJHOBYFJJYYDU-SFHVURJKSA-N 466.946 5.464 30 20 JKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915104053 JDSVPCPBZVNSCD-CMPLNLGQSA-N 468.685 5.491 30 20 JKED CC1(C)C[C@H](NC(=S)Nc2ccccc2C#N)C[C@](C)(CNC(=S)Nc2ccccc2C#N)C1 915995798 YNJQTPACZBEHAS-FNZWTVRRSA-N 490.702 5.288 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccccc2)C1=O 916204749 AXAYLIDQCLLSHI-HSZRJFAPSA-N 459.571 5.164 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(C3CC3)C2=O)cc1Cl 916211436 NPTNCOJRNGRWSL-SFHVURJKSA-N 464.374 5.125 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)c(C)c1Cl 916906125 CCGCKADNNGFLSK-JOCHJYFZSA-N 484.943 5.896 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1C 916911104 VLTUWJVQJKGCCV-QFIPXVFZSA-N 497.580 5.116 30 20 JKED N#C[C@H](C(=O)CSc1nncn1-c1cccc(Cl)c1)c1nc2cc(Cl)ccc2s1 917043630 LFIVTRXWWNUVLU-CQSZACIVSA-N 460.371 5.152 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2[C@@H](C)c2ccccc2)cc1 917254012 DHMPIVUYMHOMBV-XZOQPEGZSA-N 495.652 6.290 30 20 JKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 918649481 VDFSABZYEOEMPJ-UHFFFAOYSA-N 496.460 5.030 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1 919194910 GEEFQEBGPIYNIV-UHFFFAOYSA-N 487.604 5.093 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1[N+](=O)[O-])c1ccccn1 919712381 HSTQZUVTFUTCHK-DVECYGJZSA-N 477.524 6.071 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cc(C)on1 920357499 UXLZRLZONHUIGL-NRFANRHFSA-N 482.993 5.359 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2c(F)cccc2F)cs1 920806857 ROQMMRWVQSOFQD-HUUCEWRRSA-N 484.503 5.348 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 925311862 MXHROPYVIGJJQE-OAHLLOKOSA-N 461.008 5.214 30 20 JKED COc1ccc(OCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1 1785981024 KENIXLQSHXEVHC-FQEVSTJZSA-N 483.568 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)cc2)CCC1 1786315853 GIMPVVYXHYTFRB-NOZRDPDXSA-N 457.574 5.082 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)cc1 1786371189 LIKWIRVWVRRUAO-INIZCTEOSA-N 496.405 5.269 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)CCCC#C[Si](C)(C)C)CCC4)cc3)cc2n1 1788322430 YCUCLHIJVBUADV-UHFFFAOYSA-N 487.676 5.935 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c(F)cccc45)cc3)CCC2)c1 1789337804 CTIJETCNAOLBTQ-KRWDZBQOSA-N 481.531 5.391 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c(C4CC4)c3F)CCC2)cc1 1789507978 ZWLHPODAIUYYMA-UHFFFAOYSA-N 480.660 5.225 30 20 JKED CC(C)NC(=O)OC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508183 VAOIHNGWCCEIBV-UHFFFAOYSA-N 499.728 5.085 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)OC(=O)NC(C)C)CCC2)cc1 1789625630 MCWYVXBGNDQOKP-UHFFFAOYSA-N 457.615 5.026 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)CCCC5=O)CCC3)cc2)c1 1790073252 WAXPSVXSDZEBRL-UHFFFAOYSA-N 493.563 5.147 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(Cl)c4)CCC3)cc2)c1Cl 1790081969 UTUBRRLNTNJENF-UHFFFAOYSA-N 465.340 5.322 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H](C)c4ccccc4)CCC3)cc2)c(C#N)c1 1790474874 JSEQDXMIPHPRCK-FQEVSTJZSA-N 467.569 5.047 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(C)C)CC3)CCC2)cc1 1790512935 WWEHMMIWHYVBJW-MEMLXQNLSA-N 454.611 5.092 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc(C(F)(F)F)c1 1790785146 QBKJKCBRVFSOHK-IBBHUPRXSA-N 494.473 5.037 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790870865 CRIZPQXNDDFLHX-QGZVFWFLSA-N 478.980 5.437 30 20 JKED C[C@H](Cc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1791767242 PESICVCICQAOOJ-RTWAWAEBSA-N 466.585 5.335 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(Cl)c1 1796964911 KKTKZVWPSDDVDF-ACDBMABISA-N 494.378 5.691 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)C2 1798416885 MWBZIFHSZDDVPH-ZHLPAPNQSA-N 470.652 5.044 30 20 JKED CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(C#N)CCC2)C3)cc1 1800636266 MALLMLLJJRNXEY-ZBCONREDSA-N 493.648 5.005 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Br)cccc3c1)C2 1801638094 DLOHKBROZNPWGC-QLIIJSOBSA-N 455.396 5.066 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1802503710 SGYXKPZUAXMFDO-ILBGXUMGSA-N 489.660 5.497 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2Br)c1 1802518351 ZXPUUAFZZQOQOF-SHQMMLCYSA-N 492.417 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1805679519 ZUOFOJLXHLUKNI-ZJSXRUAMSA-N 465.638 5.593 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2C(C)(C)C)[C@H]1c1cccnc1 1807777540 QVNURXWFUDHLTN-JTHBVZDNSA-N 462.638 5.086 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1)c1ccccc1 1808278960 KOMBHZPWJKFNJS-QFIPXVFZSA-N 497.561 5.142 30 20 JKED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)oc2ccccc12 1809162432 WNFAZVZLESTXBG-CPJSRVTESA-N 498.970 5.295 30 20 JKED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)C1 1809295245 KPWXAOMMUGMMSB-UHFFFAOYSA-N 491.591 5.324 30 20 JKED C=CCC(F)(F)C(=O)N1CCC2(CCCN(C(=O)c3cc4c(Cl)cncc4s3)C2)CC1 1810253001 AWEXJIDIYITNFG-UHFFFAOYSA-N 467.969 5.006 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302583 ZVCPNXWRFPPKMR-OXTYCOSGSA-N 487.625 5.255 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@H]1c1cccnc1 1812591016 XIKBYELODZPJJR-PTJQVGQKSA-N 485.603 5.343 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1812803637 DFYFFKBGJXAJAV-LITSAYRRSA-N 488.676 5.588 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cn1 1814352104 UPZGNVHHUKQALB-HXUWFJFHSA-N 490.995 5.247 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 1814361792 JYFRGSRSJVOGGW-DENIHFKCSA-N 459.550 5.139 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)cc1 1814381979 ZNADALBFFZCOCC-HXUWFJFHSA-N 497.933 5.152 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1815246039 FJIGOUNUYNQLLJ-WMZOPIPTSA-N 499.862 5.086 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)[nH]n1 1815656743 BNGBLQWAMIEMPH-HSZRJFAPSA-N 492.645 5.332 30 20 JKED CC(C)c1csc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)n1 1816062821 WDAXKMFLDZGTDI-IBGZPJMESA-N 482.997 5.134 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)c2ccc(OC)cc2)n[nH]1 1816808039 NFCRWARKPXBCNI-QFIPXVFZSA-N 480.609 5.066 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[nH]n1 1817122647 XOAWYKZADCYKSC-QFIPXVFZSA-N 490.995 5.100 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817745440 KXCZWMFCDQXNMZ-XXBNENTESA-N 457.578 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)noc2-c2ccccc2)n[nH]1 1818145027 OIOOQDNEDKKLAL-UNMCSNQZSA-N 473.577 5.447 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncccc2-c2ccccc2)n[nH]1 1818310499 PPUCHIVDSPIFMY-XUZZJYLKSA-N 469.589 5.546 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N(C)C)c3ccccc23)n[nH]1)C(F)(F)F 1818609566 YKKXBBHJSMMRPM-OAQYLSRUSA-N 485.510 5.053 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1 1819384141 IDDKWJMIVSYVDC-FQEVSTJZSA-N 478.660 5.278 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)[nH]n2)c(Cl)c1 1821276349 NISRKUWAIZMYRA-KRWDZBQOSA-N 491.857 5.166 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)cc(C#N)c2)n[nH]1)c1ccccc1 1821321691 BMOVLUAIVTYVDL-LADGPHEKSA-N 455.562 5.090 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2ccc(OC)cc2)n[nH]1 1821748896 JHOYAVLIAVIMOD-RWTLANGKSA-N 462.594 5.282 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)ccc1F 1823216363 HOBLSJUJTHOCTD-SBUREZEXSA-N 459.525 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)[nH]n2)c1 1823217293 KBZJUFPWNMLVBT-MHECFPHRSA-N 494.555 5.311 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCOc3ccc(F)cc3)CC2)c(Cl)c1 1823972939 HEBKSHGUWWXMHK-VWLOTQADSA-N 497.998 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc(C)oc2C(F)(F)F)CC1 1824141446 QXHXANGUDAKWGF-LJQANCHMSA-N 467.532 5.004 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1824499839 PUJCSMCJANIWHL-HHHXNRCGSA-N 489.660 5.273 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1 1824556238 SAFHFKHMFHTVNB-DEOSSOPVSA-N 479.665 5.017 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c(C)o1 1825879479 FEIBCRWRVKGVRJ-HSZRJFAPSA-N 487.522 5.334 30 20 JKED CO[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1)c1ccccc1 1826417821 PKIQMKJXOURZMV-XNMGPUDCSA-N 482.741 5.045 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CNc3ccccc32)CC1)c1ccccc1 1826922457 SSSDNNULBVNQCP-BUAQGSAMSA-N 483.656 5.013 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681090 DTKHAWJCVASWSN-FNZLVXQQSA-N 496.698 5.288 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1828656620 XUQSDKPUQBTMMD-JTSKRJEESA-N 486.454 5.376 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1 1828904903 DPXQYQGSGGOCFS-QFIPXVFZSA-N 484.738 5.779 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)CC1 1829370025 PUMCZBBJOKDDAT-JOCHJYFZSA-N 476.061 5.359 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1829707080 ADMTZJDTLNKLDM-VWLOTQADSA-N 494.035 5.456 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830012491 KSPBDIWHSHHSQM-DEOSSOPVSA-N 461.606 5.304 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1830417277 ZGHMRLYWHOAPNO-LAUBAEHRSA-N 490.069 5.589 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc4c3CCCC4)CC2)cc1 1830629206 RVOVBXAPHLWIAT-VWLOTQADSA-N 475.658 5.240 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)CC2)C1 1830709591 ACUHARBLRFYQLJ-OAQYLSRUSA-N 474.527 5.067 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830720952 PADVPIIEGNPEPZ-AFMDSPMNSA-N 494.035 5.257 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)c12 1830943157 SFCCCNDAKVHOLX-FQRUVTKNSA-N 498.627 5.351 30 20 JKED Cc1cccc2c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)n[nH]c12 1831006376 MQVCXZYXKWBZBQ-XMMPIXPASA-N 492.740 5.156 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059374 LRWXYNWZWPZQOW-NBGIEHNGSA-N 474.601 5.410 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831851828 ALBVCFZYBAONFT-VEEOACQBSA-N 499.699 5.283 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1)c1ccc(O)cc1 1831924308 LNQUJZKYNFCDQR-GMAHTHKFSA-N 483.008 5.069 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)s1 1832172896 ANXRPKSODFSMKE-RXGWLMQDSA-N 482.671 5.190 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3c[nH]c4ncccc34)CC2)c1 1832635924 YZFFBWTXFAWSPX-KDYSTLNUSA-N 497.643 5.056 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1C#N 1832701930 UHNXWBNXLPVVTF-VGOCBJJDSA-N 485.628 5.292 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)CC1 1836698093 RIJPNLOWCRDCJU-MHZLTWQESA-N 484.656 5.332 30 20 JKED C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 9570803 YOEQSLGAUHIKRA-GOSISDBHSA-N 480.037 5.335 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccc(Cl)cc1Cl 9825632 PYDLZJRJWRJTAD-UHFFFAOYSA-N 491.400 5.330 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(C#N)c2)NC(=O)N1CCC(C)C 10354012 MPZBOSCRFAYKAD-JOCHJYFZSA-N 470.495 5.602 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(-c3cccc(Br)c3)no2)n1 10399483 IUCCUSIYYSSKHQ-UHFFFAOYSA-N 455.259 5.385 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(Cl)cc1 15247875 DOHAPUAEWKTZBV-UHFFFAOYSA-O 490.863 6.864 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)n(C2CCCCC2)c1C 16621638 PXFRSNRDNDWKDU-UHFFFAOYSA-N 466.586 5.147 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 22732413 UXQDBONKYIIWIH-UHFFFAOYSA-O 471.671 6.548 30 20 JKED CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 23379035 NHTZRDNLGBVTRO-GFCCVEGCSA-N 471.633 5.222 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)C2CCCCC2)c1 25074537 KUJQQMNHFLURSR-UHFFFAOYSA-N 461.027 5.516 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)cc1 25438460 BCMOMTPWTDBELS-RUZDIDTESA-N 484.987 5.602 30 20 JKED C=CCN(C(=O)c1c(C)oc2ncn(C)c(=O)c12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 28245940 CBHNXJQCNHDVPP-UHFFFAOYSA-N 475.357 5.098 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(F)ccc2F)nc2scc(-c3ccccc3)c2c1=O 45255677 XUGKMWYKHLIXAM-UHFFFAOYSA-N 469.538 5.320 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)cc1 302952814 AVGIIOCMZHYFAF-HXUWFJFHSA-N 459.933 5.495 30 20 JKED Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)CSCc1ccc(C#N)cc1 303224137 VTDWUKAQTNEPHE-UHFFFAOYSA-N 464.900 5.503 30 20 JKED C=CCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nc(C(=O)OCC)cs1 409820450 JLOPSQWVPAURRD-UHFFFAOYSA-N 491.363 5.087 30 20 JKED N#Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(F)(F)F 481942388 GLCCRTQINMPLIG-KRWDZBQOSA-N 486.277 5.049 30 20 JKED CC(=O)NCc1ccc(-c2nc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)sc2C)s1 482574122 QDVGXIHBNKQRBA-UHFFFAOYSA-N 488.594 5.732 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CSCc2cc(-c3cccs3)on2)cc1 488598419 RGFZOGJQODMJMJ-UHFFFAOYSA-N 477.586 5.876 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)cc1 499696969 SWXKDUADCPNCDX-JOCHJYFZSA-N 498.352 5.655 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 501745614 NTTCAADCJINVOZ-UHFFFAOYSA-N 469.385 5.087 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 503365411 IXKGFJZGKXQEFL-UHFFFAOYSA-N 470.504 5.604 30 20 JKED Cc1nc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)sc1SCC#N 504701905 YNNFSYKHMRSPGJ-UHFFFAOYSA-N 469.642 5.470 30 20 JKED CN1C/C(=C\c2cccc(Br)c2)c2nc3ccccc3c(C(=O)NCCCCC#N)c2C1 505085638 BYANPPAGLIDRPU-XMHGGMMESA-N 489.417 5.407 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)Nc1ccccc1C#N 510216954 KWWBYUFMWIDCMP-RTBURBONSA-N 453.571 5.545 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 514544169 BVIKUZSKVRNCGU-DEOSSOPVSA-N 496.032 5.587 30 20 JKED CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 515740752 IFERXRJCRXPTLQ-UHFFFAOYSA-N 453.542 5.262 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 516252982 KFKZKQBCCKNSBU-MUUNZHRXSA-N 492.579 5.529 30 20 JKED C=CCOc1c(Br)cc(CNCCc2coc(-c3ccc(C)cc3)n2)cc1OC 517551958 YENWZHSXPOSTSO-UHFFFAOYSA-N 457.368 5.318 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 518755870 PSSXQTXYSYFSCB-DNVCBOLYSA-N 460.397 5.449 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519028646 PKKKBLCQTFOCRJ-UHFFFAOYSA-N 455.539 6.500 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 519515620 OFGSHTMIBQTWCV-AWEZNQCLSA-N 458.008 6.331 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 519869819 HFCCKZVEVGXWPG-UHFFFAOYSA-N 454.530 5.429 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(c3ccccc3)CCCCC2)cc1[N+](=O)[O-] 520470382 AYZYBQOLNVPWHE-UHFFFAOYSA-N 487.560 5.012 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 520479656 HMQAOTIODIWROZ-XMMPIXPASA-N 465.395 5.015 30 20 JKED O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)N1CCCc2c(F)cc(F)cc21 520795746 IZZSSZNJYBAMNQ-UHFFFAOYSA-N 492.782 5.748 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 520940169 HNGIQPVCEQCGMG-SFHVURJKSA-N 474.590 5.119 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(CNC(=O)C45CC6CC(CC(C6)C4)C5)cc3)CC2)c1 521515254 ZPXXASVUQFARNI-UHFFFAOYSA-N 497.639 5.074 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N 521748731 ZRIFSCSOAXFNFU-KXBFYZLASA-N 474.424 6.078 30 20 JKED CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1 521805221 ZOVGQVRZUNRYRQ-UQBPGWFLSA-N 473.598 5.324 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 522958343 PBABFQDKLHQUEX-KRWDZBQOSA-N 498.299 5.639 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524126596 ALYKPZWGOBNKED-SANMLTNESA-N 487.625 5.244 30 20 JKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 524169915 JWUJQMGAURKZOM-OAQYLSRUSA-N 468.891 5.314 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1n[nH]c(C2CC2)c1Br 524249766 BVWFPCVVFREALO-UHFFFAOYSA-N 451.324 5.061 30 20 JKED CC(=O)N1CCc2c(sc3nc(-c4cccc5c4OCCO5)c(C#N)c(-c4ccc(C)cc4)c23)C1 580377743 OYJZLIZADGJSIK-UHFFFAOYSA-N 481.577 5.486 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 585701681 ZXUOPGZEVMLYJJ-UHFFFAOYSA-N 472.497 5.122 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2nc3ccccc3n2C(F)F)cc1OCC 589841977 AMBFBSMOUQVSMD-AWEZNQCLSA-N 480.353 6.008 30 20 JKED N#Cc1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)ccc1OCC(F)(F)F 603898077 VMBMXAJMMSRCRS-UHFFFAOYSA-N 451.857 5.457 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 604003651 QJCDGNAJEBAEQF-UHFFFAOYSA-N 486.959 5.996 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2)cs1 604003985 UIMXQZIGIUWQBY-UHFFFAOYSA-N 469.566 5.928 30 20 JKED N#C[C@H](Cc1ccccc1)Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 604040584 LKLMJQNLVRHAKP-IBGZPJMESA-N 471.552 5.499 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)c2occc2COc2cccc(C#N)c2)cn1 608805337 YJCKTPIBJJFYEY-UHFFFAOYSA-N 469.497 5.246 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@H](c3ccccc3)CC2)c1 608968841 WPHZULHFRALNKO-QHCPKHFHSA-N 469.610 5.699 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1Cl 609058267 ISCVNENTLOQWPV-UHFFFAOYSA-N 465.937 5.554 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSCc3coc(-c4ccccc4)n3)cc2)c1 609063634 IFCQJWOIECCVOL-UHFFFAOYSA-N 455.539 5.664 30 20 JKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)CC3 609079288 UNVJPYFAWUDSMS-UHFFFAOYSA-N 450.542 5.826 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(NC(=O)C4CCC4)c3)cc2Cl)c1 609079406 ASLLPRQPSFACJA-UHFFFAOYSA-N 488.975 5.851 30 20 JKED Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1S(=O)(=O)Nc1ccccc1Cl 609159302 IMCCXFBKSZVNMX-UHFFFAOYSA-N 478.961 5.180 30 20 JKED N#CCn1c(C(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)cc2ccccc21 609171366 SDZJFBAMGMMLRA-HHHXNRCGSA-N 468.988 5.366 30 20 JKED N#C[C@@H](NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccc(OCc2ccccc2)cc1 609174925 ZPGYEWGVTASCFB-HHHXNRCGSA-N 477.520 5.151 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCN(Cc2c(F)cccc2Cl)CC1 612804897 DWIODDJOJOBIIB-WDNDVIMCSA-N 489.863 5.216 30 20 JKED O=C(Nc1cccc(C(=O)Nc2cccc(F)c2)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 613143568 RYFMUNAONXRGDA-UOIKSKOESA-N 491.407 6.109 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cn1)c1ccccc1 613289775 UTUMODZIEJOQKQ-BEFAXECRSA-N 470.554 5.301 30 20 JKED Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 613320000 PXKFFTGZHPZDQX-IBGZPJMESA-N 482.055 7.011 30 20 JKED C=CCn1c(Sc2cc(C(F)(F)F)nc3ncnn23)nnc1-c1ccc(C(C)(C)C)cc1 613393747 IUHVFFKSHAQCGV-UHFFFAOYSA-N 459.501 5.036 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 613997362 XFWISTMWRDDTNQ-OAQYLSRUSA-N 475.662 5.598 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 615501268 ANPFUJXEDNMVGE-UHFFFAOYSA-N 461.415 5.910 30 20 JKED O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 622478200 XRCLAZVLWMHCFU-WMLDXEAASA-N 463.397 5.266 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)NC1CCCCCC1)C(C)C 639394321 LACPQLSPIPAIJR-JOCHJYFZSA-N 460.619 5.138 30 20 JKED Cc1nc(COc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)no1 642281726 FIPDGFICCDPMEH-SFHVURJKSA-N 450.907 5.224 30 20 JKED O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642507047 UXMKMFFNRIQGKG-PJXYFTJBSA-N 479.343 5.010 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 726398662 LUJQKCQAQIRGTD-BEFAXECRSA-N 494.444 5.687 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2cccc(COC(C)(C)C)c2)C1=O 726415486 LKFKZCLLMSKZPI-QHCPKHFHSA-N 497.661 5.057 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(Cc3ccco3)C2=O)c1 726416176 SBECVHPORWDQMU-HSZRJFAPSA-N 493.585 5.236 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccccn1)c1cccs1 726421136 LBHZCQWJVQBGJE-ZDNRMSJQSA-N 485.034 5.387 30 20 JKED CC(C)Cc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc3c(c2)CCCC3)cc1 726569684 GMTIPDHOYNOKIK-UHFFFAOYSA-O 486.661 5.558 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2c(C)[nH]c3ccccc23)C1=O 726886353 QNHDIQRGWKYWLF-HXUWFJFHSA-N 489.428 5.093 30 20 JKED CCOc1cc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)ccc1O[C@@H](C)C(=O)N(C)C 727780101 HBJJRGIEUXCLMQ-SZEUEKNRSA-N 464.587 5.269 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccc(OC(F)F)cc1 728300107 YJMPXEZPGHIUJZ-OAHLLOKOSA-N 455.436 5.317 30 20 JKED CCOc1ccccc1[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(C)=O 728411472 IBYYSGLBGHPFFM-UXHICEINSA-N 467.978 5.306 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(Cl)ccc(C)c2Cl)N(C2CC2)C1=O 728430140 OBXNPXSTEYIBHT-KRWDZBQOSA-N 478.401 5.433 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1cccnc1)c1cccs1 728430155 OGNDNFORRLMTMM-MLTFTUDFSA-N 489.626 5.166 30 20 JKED C#Cc1cccc(N(CC)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1 728480925 WAHZOIDAODJVIS-UHFFFAOYSA-N 476.989 5.366 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)cc1Cl 728777027 IEFRETVXQDPFBS-QFIPXVFZSA-N 499.036 5.620 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCCCC#N 728779570 JWFVTZPGSXTKCJ-OAQYLSRUSA-N 470.545 5.181 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 729632918 BLAYEJQKXFJEKS-QFIPXVFZSA-N 489.988 5.076 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 729633197 VZLRTGXWLYADIU-QFIPXVFZSA-N 489.988 5.076 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ncccc3C)C2=O)cc1 729634554 OAEFASXRQRJKEV-QHCPKHFHSA-N 476.577 5.306 30 20 JKED COc1cc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)ccc1OCC#N 730437144 ZJEYHRWRQPARCA-QINSGFPZSA-N 481.371 5.696 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1 730688575 ZQMVOPHVXQYMBF-HNAYVOBHSA-N 453.514 5.647 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cocn1 730709004 MAYPZJDNQQCMDV-QHCPKHFHSA-N 470.554 5.297 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1 730712467 KSRLAQYOAABEKO-HSZRJFAPSA-N 470.554 5.297 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 730942191 HWQLAOWJYXHVJW-BVZFJXPGSA-N 498.583 6.095 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1C 730944223 UATWVNPFXZPKPG-FDDCHVKYSA-N 476.577 5.559 30 20 JKED C[C@H](C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1c(Cl)cccc1Cl 731078674 VVVADIDZFPNICA-KGLIPLIRSA-N 451.375 5.531 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)cc1 731307243 GHBLIDLKIFALQH-RUZDIDTESA-N 498.608 5.548 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731310834 RAVSAGYPOKZZTG-GOTSBHOMSA-N 493.535 5.318 30 20 JKED C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2Cl)C1 731332365 JTRVREZMWCQGPD-IRXDYDNUSA-N 492.066 5.407 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 731377658 VIUWHWBSIQSNJF-UHFFFAOYSA-N 457.873 5.329 30 20 JKED COc1ccc(OCc2nn(CN(C)C[C@H](C)C#N)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 746706979 TZAFJVPMVPEJOV-MRXNPFEDSA-N 491.539 5.059 30 20 JKED C=CCN(C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 747544643 SFWPNFSNFZRBMD-OAQYLSRUSA-N 488.396 5.450 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)cc(Br)c1OC(F)F 750899862 HRMVUHDJBITILF-BAQGIRSFSA-N 452.251 5.248 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@@H](C)c2ccccn2)c1 837385558 YZYKIJGEVWFVRO-FDDCHVKYSA-N 493.032 6.073 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@H](C)c2ccccn2)c1 838277208 KXRCTNUVSNMNLB-KOSHJBKYSA-N 488.613 5.374 30 20 JKED N#Cc1ccc(N2CC[C@H](c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)C2)c(F)c1 904490061 PHXLDLHYAVNIAE-NRFANRHFSA-N 464.504 5.139 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NCc2cccs2)[n+]2ccc3c(c2)CCCC3)C=C1 912837711 IOCNDGDBNZSQGK-UHFFFAOYSA-O 492.690 5.322 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104938 XRQRFRLWZPIJLJ-MRXNPFEDSA-N 475.492 5.830 30 20 JKED COCCOc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2C)cc1OC 915993472 QYZLGCUMMRMIDB-KHPPLWFESA-N 454.954 5.132 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(OC)c3)C(=O)N2C2CCCC2)cc1 916213430 CRVXYUSAUBPJBS-QHCPKHFHSA-N 497.617 5.005 30 20 JKED CCN(CC)c1ncc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)s1 916272680 IAGHECPXYGLURB-UHFFFAOYSA-N 458.012 5.272 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccccc1Br)C(=O)Nc1ccc(SC(F)F)cc1 916887655 OANOYHCILNLSEK-HNNXBMFYSA-N 483.334 5.270 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCC(=O)c1c(C)cc(C)cc1C 916899579 JOZWZXHMPAAROP-SFHVURJKSA-N 454.954 5.283 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 916903644 PZRSKRNFRBFQLX-JOCHJYFZSA-N 454.574 5.362 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907077 HHKHTTJCAVFYJT-JOCHJYFZSA-N 485.540 5.716 30 20 JKED CCOc1cccc2c1OCC(C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)=C2 916908181 ZDUAUTQXHNZUSS-NRFANRHFSA-N 454.482 5.001 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916927296 HJZIXZFVNDFHRA-GOSISDBHSA-N 476.323 5.202 30 20 JKED N#C[C@H](C(=O)CCCOc1cccc(Br)c1)C(=O)Nc1ccc(Cl)cc1Cl 916928898 XVJQIWWQCGEYMK-OAHLLOKOSA-N 470.150 5.262 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916946418 UCMNZNGVFRSVFA-KRWDZBQOSA-N 479.161 5.436 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)n2)cc1 916974143 DXZRXMHSKVDPDY-JTHBVZDNSA-N 457.599 5.464 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2cccc(C(C)C)c2)[n+]2ccc3c(c2)CCCC3)N=C1C 917615851 RBZMLQIRGFPRIZ-UHFFFAOYSA-O 488.677 6.294 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 917712685 GNXCPNDFXNCFPJ-KOSHJBKYSA-N 490.604 6.066 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C/c3ccc(F)cc3)c3cccs3)n2)cc1 920143463 PXOGUTWDWXTKNV-NNVROAHOSA-N 460.555 6.436 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)n2)cc1 920143903 LHYHHCQBTASSSA-QGZVFWFLSA-N 486.018 5.262 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2nc(C)cc(C)n2)ccc1Cl 920964629 QRAIAKRAKZPQPQ-UHFFFAOYSA-N 491.400 5.034 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1 1786546556 YMZOQBXBIUBRNT-JOCHJYFZSA-N 469.626 5.170 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5ncccc5c4)cc3)CCC2)c1 1786556754 GGAVGFAUQPOYPK-UHFFFAOYSA-N 478.527 5.236 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1787266033 FEHSGVFRABUTHR-STBIYBPSSA-N 482.540 5.110 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)s1 1787336210 UDGQBOKGILPGDZ-UHFFFAOYSA-N 488.613 5.480 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CC[C@H]4CNc5ccccc5C4)cc3)CCC2)c1 1788066852 CEPAXJADDBGGMN-OAQYLSRUSA-N 496.586 5.510 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3nc(C)oc3C(F)(F)F)cc2)CCC1 1788613005 LLZLODMOTYANCI-UHFFFAOYSA-N 463.500 5.742 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3cc(F)cc(F)c3)CCC2)cc1 1788649618 NSGNHIZURPWQAA-CMDGGOBGSA-N 480.536 5.142 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650754 OIDMGQRVNBRSHS-JUWJPQTCSA-N 473.598 5.122 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc5ncoc5c4)cc3)CCC2)c1 1789075802 SWZQSTZDQCNPPH-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(OC)cc4[nH]3)CCC2)cc1 1789454083 PCCMDLZVIGAHOA-QHCPKHFHSA-N 457.574 5.693 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/Sc3ccc(C)cc3)cc2)CCC1 1789489355 TVDFDNXVDLUYOJ-BBKFTCMMSA-N 465.619 5.536 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cccc(Br)c3F)CCC2)cc1 1789576819 IGNTUIPGJZRQJK-MZJWZYIUSA-N 498.352 5.048 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)CCC1 1789687355 UAPROWCUURLIFT-UHFFFAOYSA-N 474.786 5.049 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4nc3Cl)cc2)CCC1 1790041880 DETVYHSHHUBNNP-LBPRGKRZSA-N 475.948 5.232 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCCC4(F)F)CCC3)cc2)c1 1790073192 QIEPMLXTISQGJS-RUZDIDTESA-N 485.506 5.232 30 20 JKED CC(=O)Nc1ccc(Cl)c(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)c1 1790258219 SMODKKYPBYILGC-UHFFFAOYSA-N 486.959 5.232 30 20 JKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1 1790690698 OQXIEUILLYDFPO-UHFFFAOYSA-N 499.571 5.295 30 20 JKED CN(Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1)C(=O)OC(C)(C)C 1790744664 OIKIYCARBIFMKE-UHFFFAOYSA-N 490.604 5.105 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cn3ccc4c(F)cccc43)CCC2)cc1 1791295907 BARWLPQOISGJOI-UHFFFAOYSA-N 455.480 5.126 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791301229 UYKGJJHRVWHTMY-FQEVSTJZSA-N 493.595 5.271 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(Cl)c3)CCC2)cc1)C(F)(F)F 1791305373 BBGXZKCTBWTCFF-UHFFFAOYSA-N 452.860 5.215 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791730203 PJQVTJGOHOTNRW-QHCPKHFHSA-N 483.653 5.111 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)c1Cl 1792379914 NRIGMSSQRJKGRT-RUZDIDTESA-N 469.919 5.705 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(Cl)cc2)no1 1796488850 LIEHBFPQVJJQFQ-KOUNCHBCSA-N 498.099 5.298 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ccccc3c2Cl)cc1 1797460428 MHLQNDPAHMKTDV-ACDBMABISA-N 478.017 5.311 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(C(F)(F)F)c1 1800425166 NGTJMNZSTBGUNX-XMTFNYHQSA-N 499.371 5.488 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C3)c1 1800683875 UARIUNMEVDNPER-BTTYYORXSA-N 497.851 5.074 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1802374261 WMHKFXFJKRRUBV-YKSBVNFPSA-N 479.024 5.528 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)/C=C/c3ccc(CCCCC)cc3)[C@@H]2c2cccnc2)C1 1802995616 UGERYCOUNBQNIT-RDNBGJIVSA-N 471.645 5.500 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)C2)CC1 1805297653 VVVJQUVEVAYSDQ-JWQCQUIFSA-N 482.716 5.212 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1806591944 XHKOKFCJJHMNKG-ZJSXRUAMSA-N 487.566 5.341 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1810276748 IWLCXTWRIZTEKW-BKMJKUGQSA-N 496.127 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1810504448 YZIHYDQMCWCWGS-XNMGPUDCSA-N 488.676 5.384 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1812591354 FBXVYGRXPSQFLN-ZJVHSOCCSA-N 494.639 5.741 30 20 JKED CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813868376 MFLGIYIYLZZACA-GJJMEYSYSA-N 480.612 5.295 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c(Cl)c1 1813881238 SLCHYZFNPWDIKA-AJTFRIOCSA-N 499.014 5.119 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C)ccc3NC(=O)OC(C)(C)C)[nH]n2)C1 1814397505 LYSAPBWHGQOJER-QFIPXVFZSA-N 493.608 5.337 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5ccccc5o4)sc3C2)c1 1818328637 HJNGGVIPTGLBRG-BEFAXECRSA-N 470.554 5.056 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384024 FEPBHDCDQBUZCH-HSZRJFAPSA-N 494.712 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)[nH]n1 1819553036 PMGHCQAYRTZVEN-GOSISDBHSA-N 477.531 5.051 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091465 IMOYUUKEBGRVTL-NFBKMPQASA-N 497.599 6.225 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091491 JIVQGDAXOALMAX-DYESRHJHSA-N 471.561 5.669 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CC4(CCC4)C3)[nH]n2)cc(C(F)(F)F)c1 1821311155 RYHOFDUTTMVBSP-HXUWFJFHSA-N 485.510 5.186 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1821922427 JVXQKYBGQUUXRK-HYBUGGRVSA-N 481.600 5.848 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)n[nH]1 1822489235 RZIMVUHASGWUQA-FQEVSTJZSA-N 494.945 5.510 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1822582654 QTYLFBHENUOCOX-LJQANCHMSA-N 480.918 5.581 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1F 1823905846 RGWHGCWZWCLQQD-VWLOTQADSA-N 491.607 5.340 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](C)Oc2ccccc2)CC1 1824144906 MABQCMCNTHLWRO-ATIYNZHBSA-N 452.639 5.232 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccn4c3)CC2)c1 1827405829 LOPJWFKGSOZRIY-YADARESESA-N 474.630 5.175 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)s1 1827681736 QROJJQRWRHUMBU-RSNBEDGSSA-N 484.687 5.109 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)cc2c1 1828123016 KJIHVCMSGNEGPO-AREMUKBSSA-N 472.564 5.034 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828711304 AYNGGEMEWISVDG-HSZRJFAPSA-N 483.754 5.514 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnccc2C(F)(F)F)CC1 1828821742 RXSVXUJMMCWZKB-LADGPHEKSA-N 491.598 5.421 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1828889433 RFZTUTHSGPIGAF-DHIUTWEWSA-N 495.491 5.119 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CNc3ccccc32)CC1)c1ccccc1 1829032208 GFNHHRWFNVVYPZ-RWPDHJIBSA-N 483.656 5.013 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829999601 ZGLJDDUPMKUGED-XMMPIXPASA-N 483.534 5.433 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)cc1 1830024132 JGNUOBMDPVPKSB-VWLOTQADSA-N 464.009 5.078 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)CC1)c1cccs1 1830025222 HCBQXVJWGZWPQE-ZJVMWOEPSA-N 471.022 5.074 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)CC1)c1ccc(O)cc1 1830098017 BCXJYRPGNSTZFK-WXVAWEFUSA-N 494.582 5.101 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c(C)c1 1830119086 NMKDARCCAGQYLN-VWLOTQADSA-N 480.008 5.076 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830628228 RBKXZUXJCOVBIL-IDISGSTGSA-N 473.617 5.178 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)cc1 1830826010 RHFYGEMQCOGLKI-AREMUKBSSA-N 483.616 5.105 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1831511562 ZWECWCZFIIOFHP-CUNXSJBXSA-N 457.618 5.180 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1832030778 VXRSPDAIHKOBKM-XMMPIXPASA-N 499.577 5.681 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccn2)CC1)c1ccccc1 1832325192 ZDCWJRHPBLGFBH-WSHBGFIESA-N 471.645 5.002 30 20 JKED Cc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832701964 WNSWYWUEUNWZIL-MHZLTWQESA-N 487.644 5.130 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCCCCCC(=O)OC)CC1 1832932939 YZAJJNYZDVDHEK-AREMUKBSSA-N 488.713 5.484 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)CC1 1838237300 WZPKZBNHOBPKKO-UHFFFAOYSA-N 477.649 5.148 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)CC1 1838767723 MKXILTWITLLGKF-WXFUMESZSA-N 493.692 5.388 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1Cl 9826301 BPMIIWVUVGYORM-ZDUSSCGKSA-N 491.400 5.136 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccc(C)cc1C 10168387 FBWBLZYWJNJLSG-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc3ccccc23)cc1 11126722 KGCDYKUULVJOEO-UHFFFAOYSA-O 456.635 6.086 30 20 JKED C=CCn1c(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1 11394054 YFVBLCAPQBJKQI-UHFFFAOYSA-N 472.394 5.143 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)C3=COCCO3)c2C#N)C(C)(C)C1 11444845 FYBGCIMDHDSZNP-SNAWJCMRSA-N 496.610 5.138 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccc(Cl)cc1Cl 15029831 VNBLHSHADAPOFJ-UHFFFAOYSA-N 474.417 5.705 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 21121683 ZDKZYQOXGZHNEP-INIZCTEOSA-N 495.605 5.425 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 21849030 MVSHNPKOZCDXOO-OAHLLOKOSA-N 457.962 5.185 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nc2sc(-c3ccccc3)cc2c1=O 22118555 BBSKECKPYHCDBV-QGZVFWFLSA-N 478.643 5.134 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)cc1OC 26368313 RCICSRORYPXMJO-UHFFFAOYSA-N 491.617 5.460 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](CCc2ccccc2)c2ccccc2)CC1 71936207 VIJBSYBUIDFYOY-XMMPIXPASA-N 480.568 5.513 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 71982033 IRCJYPJZTGRXFO-UHFFFAOYSA-N 481.552 6.031 30 20 JKED Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C[C@H]1CCCO1 241316985 LWRBUPOZHURBBA-DYESRHJHSA-N 472.010 5.096 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1[C@H]1COc2ccccc2O1 251309048 DHBYUSNUIXHBHD-PMAPCBKXSA-N 478.618 5.609 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)CC2)c1 303287687 WFJGMMMPPGZCMN-UHFFFAOYSA-N 472.397 5.601 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc(OC)c1Br 303372430 SXHGZKOIKSTFMF-UHFFFAOYSA-N 453.292 5.383 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 409865084 QKKOKEKKNOGQDD-IBGZPJMESA-N 494.638 5.962 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1ncc(-c2ccccc2Br)o1 499437959 HBJAJENKXNIDIJ-UHFFFAOYSA-N 455.352 5.260 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc1 500027378 DEORLAUNEBILCD-UHFFFAOYSA-N 453.445 6.263 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1OC 511060638 GJNAGMQRQJUXLO-UHFFFAOYSA-N 483.387 5.807 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 511559511 BJHWZWWLGWOEJX-UHFFFAOYSA-N 462.431 6.116 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 516241923 YTDDFSIUNZHSFN-UHFFFAOYSA-N 478.408 5.411 30 20 JKED COc1ccc(-c2cc3ncn(CC(=O)Nc4ccccc4S[C@@H](C)CC#N)c(=O)c3s2)cc1 517451204 XYKBOYPHJKYVMN-INIZCTEOSA-N 490.610 5.167 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4ccccc4n3Cc3ccccc3F)n2)cc1 517800949 ROMRGEPABSWCPI-JOCHJYFZSA-N 476.536 6.314 30 20 JKED CC(C)OCc1ccccc1CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 520576132 AWCGJRPIEULBOV-DEOSSOPVSA-N 475.976 5.175 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc2Br)no1 521381880 BHOBBQUWMLPXIK-UHFFFAOYSA-N 494.370 6.177 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2ccc(OC(F)F)cc2)cc1 523696810 DHMTUCUWBJDAFU-UHFFFAOYSA-N 453.445 5.325 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2Cl)c1 524389425 GHJFKCOSONSADP-UHFFFAOYSA-N 471.900 5.888 30 20 JKED COc1ccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1OCc1ccc2ccccc2n1 524413845 YOTLKCNEARLHMU-UHFFFAOYSA-N 483.572 5.121 30 20 JKED CN(Cc1nccn1CC(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 524662649 XYDWTVJGGYGEBV-UHFFFAOYSA-N 463.847 5.427 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(Cn2ccnc2)cc1 556504785 RQULSQPPNWIVTI-UHFFFAOYSA-N 451.530 5.012 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc2Br)on1 557755035 GEFZTHBMDCAINO-OAHLLOKOSA-N 480.240 5.228 30 20 JKED C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)c1 589553188 ZJMKKYPYYPOTGI-UHFFFAOYSA-N 450.560 5.311 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)s2)c(C(F)(F)F)c1 603671923 KLDRWNIOMDFPRI-SNTCSEMISA-N 475.536 5.284 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccc(OC(F)F)c(Cl)c3)c2)c1 604006953 FICBIBMHLAGKDN-UHFFFAOYSA-N 457.864 5.443 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)CC1 604086018 XDFCOXVEABNVJX-UHFFFAOYSA-N 467.289 5.084 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 604490608 DCBNMWRNWFUXAY-UHFFFAOYSA-N 496.411 5.070 30 20 JKED Cc1nc(SCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c2c(C)c(C)sc2n1 609417011 ADOYEXGNKJRQAG-AWEZNQCLSA-N 451.404 5.397 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)C(=O)Nc4ccc(Oc5cccc(C#N)c5)cc4)CC3)c2c1 609438588 NUCVGIRPCRSBOM-UHFFFAOYSA-N 494.551 5.185 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1Oc1cccc(F)c1 609439924 VKENSUHBUMZVTL-QGZVFWFLSA-N 463.534 5.267 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1CC(F)(F)F 613346270 GKOLHWMQDMZHOP-HNNXBMFYSA-N 472.319 6.588 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nc2cc(C(F)(F)F)ccc2s1 613404473 NYIPPFXYTYLUQY-INIZCTEOSA-N 470.451 5.619 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 615804718 YYKWIHAKXDNYMN-UHFFFAOYSA-N 461.521 6.323 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)n1 623584333 LYOONYZSWLYNCE-SFHVURJKSA-N 454.477 5.667 30 20 JKED N#C[C@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc2ccccc2n1C(F)F 726321942 CKDVJYQNJOPNKR-CTWPCTMYSA-N 456.537 5.253 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 726412047 LWNWDUYQCFGLEX-OAQYLSRUSA-N 463.559 5.029 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccsc2)cc1F 726412233 QVKGAGRGRULCAE-QFIPXVFZSA-N 497.617 5.673 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(C)c(C)c2)cc1 726571985 LGCKWCMPDKPFST-UHFFFAOYSA-O 474.650 6.001 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 726957892 OABGGGACXHRXAW-UHFFFAOYSA-N 487.357 5.994 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 727590560 LXQWTRYMPCDQTJ-AOKXBXCXSA-N 482.650 5.081 30 20 JKED CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)cs2)cc1 728372659 QJZFETDGLZYZCO-UHFFFAOYSA-N 498.608 6.026 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3Cl)C2=O)cc1 728424595 FDFHWIUAPJHOCL-HSZRJFAPSA-N 499.983 5.244 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CCCCC#N)C2=O)cc1 728776200 MRILIJHYECDUIM-DEOSSOPVSA-N 470.598 5.802 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCCCC#N)C2=O)c1 728779800 LJFRFUJAYWEZSH-XMMPIXPASA-N 474.630 5.446 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCCCC#N)c1 728780685 WSSRFDOWKGPYML-HSZRJFAPSA-N 476.602 5.106 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C)c1C 729633778 GEVFXZXJMKGEMH-HSZRJFAPSA-N 458.587 5.167 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cccc3ccccc23)cc1 729667546 KDSCKJDWRNDBDF-UHFFFAOYSA-O 459.547 5.120 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(CCc3c(C)noc3C)C2=O)cc1 730442324 HLDYOKNKGFDQDA-JOCHJYFZSA-N 498.555 5.081 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CCC2)c1 730463240 VGDWEGXUAWDVMJ-IBGZPJMESA-N 490.398 5.409 30 20 JKED COc1cc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Br)c1OCc1ccccc1 730587821 FEPHFMPRKXDQAQ-CLFYSBASSA-N 494.341 5.264 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 731060749 PKCNBLCUUWMBKL-VIFPVBQESA-N 493.199 5.885 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(Cl)s2)cc1 731304811 BJXQVTNEBWPETH-LJQANCHMSA-N 486.018 5.576 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731305275 BJJFGAHYHRTQJV-NRFANRHFSA-N 497.523 5.154 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)c(Cl)c1 731307319 HDUWYFQHGANCJY-LHSJRXKWSA-N 498.967 5.301 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c1C 731308665 PGRAWCVYBIDRKH-WZONZLPQSA-N 474.586 5.126 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccc(F)cc1)c1cccs1 731312478 OHROHHAFRBSAAE-QGPWZHNMSA-N 497.617 5.225 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@@H](C)c2cccs2)cc1 731312976 UUZITOZIJXHBBK-IRRWFJRRSA-N 495.626 5.052 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N([C@H](C)Cc2ccco2)C1=O 743523741 CEKPJUAJHLKZEF-HXOBKFHXSA-N 495.576 5.327 30 20 JKED CN(C)c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)cc1 745406575 ODMGXCAKGLVTDO-HSZRJFAPSA-N 494.567 5.191 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746658609 FWJKGHMUPOFGCG-NRFANRHFSA-N 452.327 5.908 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2ccccn2)c1 837348598 BLIBHMWBBUTSDC-OPAMFIHVSA-N 495.004 5.465 30 20 JKED C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 851871695 SQQIVZKJVFRXCC-SCSAIBSYSA-N 450.738 5.569 30 20 JKED CC1(c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 904598756 RXRVTUPWWKPEDG-UHFFFAOYSA-N 498.414 5.471 30 20 JKED C[C@@H](OC(=O)c1ccccc1SC(F)(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 914948696 XLMUBWQOCJRIEP-ZCFIWIBFSA-N 459.314 5.178 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1 915088122 ZNBKXPUKGSBAQK-XMMPIXPASA-N 460.624 6.228 30 20 JKED N#C[C@H](C(=O)CCCNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102689 DABZGCPRWKVAHB-QGZVFWFLSA-N 458.370 5.503 30 20 JKED CCOc1cc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)ccc1OCc1c(Cl)cccc1Cl 916137465 VTZJCIZCYBPJFP-WCYCAPIHSA-N 475.324 5.199 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 916213266 CKHSSBKLOAGOPH-LPHOPBHVSA-N 478.401 5.133 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2Cl)[C@H](c2cccc(C#N)c2)NC(=O)N1CCCCCC(=O)O 916724088 OHTDCPKLWFUVGG-DEOSSOPVSA-N 494.979 5.144 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC 916902519 ZAXSQTJCOHOWEX-AWEZNQCLSA-N 465.333 5.069 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2cccc(C)c2)c1 916903260 QNHJSXGNODTQBB-NRFANRHFSA-N 462.933 5.506 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1CC(F)(F)F 916908043 KSZWZPZBNWTCDY-IBGZPJMESA-N 455.436 5.421 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916929486 MIOZVNGNDNUDTR-QGZVFWFLSA-N 465.849 5.010 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)O[C@@H](C)C2 916944726 LPQMJRRNFOLQKD-WTAWDTCZSA-N 459.329 5.076 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995160 BISAKXKIIKPOLF-INIZCTEOSA-N 486.355 6.720 30 20 JKED CC(C)c1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2ccccc2)c1 917612880 HOCNBDSEESFJBN-UHFFFAOYSA-O 474.650 6.217 30 20 JKED C=CCOc1ccccc1CN(C(=O)C1CCN(Cc2nccn2C)CC1)c1ccc(C)c(C)c1 917614023 XAAAIXQDJOHOMK-UHFFFAOYSA-N 472.633 5.047 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)c([N+](=O)[O-])c1 917663314 QSELYDIODOQKDJ-HXUWFJFHSA-N 498.561 5.264 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 917700625 MKQVZORTIWJLDQ-OAQYLSRUSA-N 483.515 5.981 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917703811 PGBMRLFILLRIEW-VGSWGCGISA-N 474.611 5.211 30 20 JKED Cc1cc(-c2noc(CCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)ccc1F 918492165 OSXAUWVKSNSXPR-AWEZNQCLSA-N 474.439 5.622 30 20 JKED Cn1cc(C=Nn2c(S)nnc2-c2cccc(Br)c2)c(-c2cc3ccccc3o2)n1 920370550 ZMMWYNZHKHXKCI-UHFFFAOYSA-N 479.363 5.025 30 20 JKED N#C[C@@H](C(=O)CCCOc1cccc(Br)c1)c1nc(-c2c(F)cccc2F)cs1 920807206 ZXKWXCBHAJEHKP-HNNXBMFYSA-N 477.330 5.886 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCc3cc(F)ccc3Br)cc2)CCC1 1786275358 FQAQAPVXJPRDIH-UHFFFAOYSA-N 471.370 5.068 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCCCNC(=O)OC(C)(C)C)cc2)CCC1 1786563885 PABVGLVACUGCRQ-UHFFFAOYSA-N 479.568 5.027 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)cc2)CCC1 1788598726 LDUAVHLJFUQUQL-LJQANCHMSA-N 469.626 5.192 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3cccc(F)c3)CCC2)cc1 1788649409 LDFGJWBLFNBXRB-VAWYXSNFSA-N 462.546 5.003 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cn5cc(Cl)ccc5n4)cc3)CCC2)c1 1788937692 PICBZMZDKWTDGV-UHFFFAOYSA-N 487.922 5.060 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(cnn5C)c4)cc3)CCC2)c1 1789087195 LGZBAMPJKLEWFG-LJQANCHMSA-N 477.568 5.262 30 20 JKED Cc1ccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)/C=N/N4CCCCC4)cc3)CCC2)cc1 1789515010 XZHHQWKOKMCPTN-RUMWWMSVSA-N 495.627 5.276 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)cc3)CCC2)c1 1789531031 ACQXTBHCEKNLEY-ZNZIZOMTSA-N 495.604 5.202 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc4sccc4c3O)CCC2)cc1 1789577087 SQCYULRWUFCVNP-JFLMPSFJSA-N 473.554 5.067 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cncc5cnccc45)cc3)CCC2)c(Cl)c1 1790010979 RWRXSPXIZABXEQ-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790948100 ZHKRLFTWZPLTME-LJQANCHMSA-N 481.552 5.214 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(F)cn34)cc2)CCC1 1790959252 IJWWCTUCACAZCY-UHFFFAOYSA-N 490.655 5.272 30 20 JKED Cc1ncccc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123195 MVWPRWPTTFKXIB-HXUWFJFHSA-N 466.585 5.398 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CC(C)(C)C3)CCC2)cc1 1792337477 SAIPBBQNSNUWMX-WHLCRQNOSA-N 481.637 5.026 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)ccc1F 1792380599 XAZPOQPXEIHWGE-SANMLTNESA-N 467.491 5.120 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3cc(Br)cnc13)C2 1793052720 OFOSVZSPLJZJPF-WKCHPHFGSA-N 482.422 5.018 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(F)c(F)c1 1796501925 XTXTXQZKODEIGO-ACDBMABISA-N 467.560 5.271 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c1 1799601775 GRAOCOUHEMXCJP-KOUNCHBCSA-N 459.933 5.037 30 20 JKED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](F)c2cccc(F)c2)c1 1800278797 ZYNJXLFTPMVMKN-HTUFRPJOSA-N 472.601 5.091 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)[C@@H]2c2cccnc2)C1 1802413227 LIZJJDSNWNVVFB-FTBPSBKWSA-N 466.025 5.147 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1802504419 XYQABABAKKIQGO-LEAFIULHSA-N 496.655 5.764 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1802941513 COPDNJUWNFAQTK-GGXMVOPNSA-N 482.628 5.037 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc3cc[nH]c23)[C@@H]1c1cccnc1)c1ccccc1 1809448511 VNGAVDRRIWFKKC-ZEZDXWPOSA-N 490.607 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1809474188 VGWOQLVHMCIGKA-XUZZJYLKSA-N 480.052 5.465 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1810171479 FRGQSMSBCAVQBM-OARDWFSCSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(F)c(F)c3)C2)CC1 1810386910 QHFOUPNWGKADQO-JOCHJYFZSA-N 493.598 5.640 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1)c1ccccc1 1810443319 GVMYPGIRUBUBFT-YCVJPRETSA-N 491.591 5.345 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1811117897 GSENPMZAUAIYRN-AVRDEDQJSA-N 457.977 5.186 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1 1811894695 ZRHFWPAEFMAQHV-AZGAKELHSA-N 460.622 5.269 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1811952341 LYWRSUANQCWAOG-BWKNWUBXSA-N 481.612 5.320 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c1 1813863119 FYFYJWFKBJAFIU-FTGWLVSGSA-N 490.966 5.135 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)[nH]n1 1814442926 AXXMZYCPPUGTTN-NRFANRHFSA-N 469.536 5.468 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)n[nH]1 1814659180 AHRHQUZCDRGAKZ-KSSFIOAISA-N 450.917 5.070 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1)C(F)(F)F 1818605682 UHGLCBSMGIPTNO-QGZVFWFLSA-N 477.874 5.036 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4c(Cl)cccc4s3)n[nH]2)C1 1818773327 MVRFTAVXELFDQL-GOSISDBHSA-N 454.983 5.550 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)[nH]n1 1819309795 HSQPHJUFYTUHPI-IRLDBZIGSA-N 452.624 5.135 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386723 GUNZQDDPPVGVAQ-JOCHJYFZSA-N 480.685 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c(F)ccc(F)c2F)[nH]n1 1819553152 XJPBKRWDLYQBDE-IBGZPJMESA-N 462.516 5.054 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820079240 BMKGCSONDJBDDA-NBGIEHNGSA-N 497.599 5.226 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](c3ccccc3)C(C)C)[nH]n2)c1 1820206752 ZPUIWUJENQMKJN-AHWVRZQESA-N 485.588 5.036 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c(F)c1F 1820224016 VVYPUJWHRUYFLG-GOSISDBHSA-N 483.906 5.141 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(CC=C)CC=C)[nH]n1 1820914769 ONTWVTAAJNAHHF-UNMCSNQZSA-N 499.656 5.030 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)[nH]n2)c1 1821323220 WZRNHBVSAGBURO-QHCPKHFHSA-N 486.963 5.344 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1821986885 RCHNHXWEOVXQRS-SFHVURJKSA-N 461.900 5.062 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823972267 VKAUCAVSGHQEOD-IBVKSMDESA-N 478.036 5.178 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 1824052729 PGHRANZBTUXACA-AREMUKBSSA-N 478.036 5.007 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cs2)CC1 1824141241 LLGGDEMXYOIGKY-FQEVSTJZSA-N 479.484 5.512 30 20 JKED O=C(c1cc2oc(-c3ccccc3)cc2[nH]1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824413480 DBAPCPNIHNAPQI-VWLOTQADSA-N 469.585 5.075 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1824500143 CWFBSJNDFJNULK-OAQYLSRUSA-N 467.437 5.210 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)c1 1824539198 LZOOTNPUYKMVSK-CLJLJLNGSA-N 479.690 5.245 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCOc3ccc(Cl)cc3)CC2)C1 1824986032 CKWJEDZJSNIOKM-XMMPIXPASA-N 459.030 5.085 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccoc2)CC1)c1ccccc1 1825055074 ZQRQTJQFUPGPLH-HKRYAFHYSA-N 458.602 5.110 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CC2)CC1 1826682782 AHWPSIHQIIWTQK-CLJLJLNGSA-N 491.582 5.422 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1)C(F)(F)F 1827331032 NGXWQVBUILWYQC-XMMPIXPASA-N 485.550 5.409 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1827385546 LOKDDCVPSTXJEO-MUUNZHRXSA-N 496.655 5.452 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1)C(F)(F)F 1827515800 KFMQWJDNKDXSOU-NRFANRHFSA-N 478.555 5.142 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)cc1 1828159192 ZVPQUSQYBOXLHL-SANMLTNESA-N 490.554 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828161427 PXVJZKIXFKTLRG-NLFFAJNJSA-N 469.576 5.448 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1828422826 VWNWFSUOBHHFGH-NLFFAJNJSA-N 488.619 5.021 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)[nH]c12 1828545782 GWNIJMZQXJNRCG-SANMLTNESA-N 491.752 5.761 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(OC)cc2Cl)CC1 1828821292 JBULTXAQYVREOG-ILBGXUMGSA-N 473.057 5.279 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)CC1 1829198805 SKPFAGNNAWXTIH-JOCHJYFZSA-N 492.111 5.159 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1829456409 DGZKILAWMUCMDY-HXOBKFHXSA-N 499.442 5.563 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829572115 PORDQBRQTRHIBN-HSZRJFAPSA-N 491.657 5.580 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829939718 PQZDLHOWAMOHHW-XMMPIXPASA-N 483.534 5.433 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)cc3F)CC2)c1 1829950073 ANXPGVCBVBPPHI-HSZRJFAPSA-N 498.396 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)CC1 1830115551 VVWYWNHRBWQWRO-GGAORHGYSA-N 459.030 5.350 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1830446808 ZPCVJRWCCUAPMF-GDLZYMKVSA-N 492.623 5.096 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C)c(F)c3F)CC2)c1 1830770558 BSHMSWDEXFQVIG-QHCPKHFHSA-N 465.544 5.000 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c(F)c1 1830772850 GENBQMWJNOPRKU-SANMLTNESA-N 495.570 5.171 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCc2ccc(F)c(Br)c2)CC1 1831229856 LKFMFTNBJZYEHZ-HSZRJFAPSA-N 493.461 5.497 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CCC1 1832489909 IPMMIKCEPVAHNB-JOCHJYFZSA-N 456.030 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c1 1832630686 KSBCPWDTKCDKSO-JTSKRJEESA-N 487.522 5.473 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(F)CCCC=C3F)CC2)c1 1832635738 QEYDHEHMTSLLGQ-PSNDRKBRSA-N 469.576 5.293 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)c1 1832720558 XSGAFCRZELRWLL-OAQYLSRUSA-N 492.929 5.106 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC(OC3CCN(C(=O)CCC#N)CC3)CC2)cc(C(C)(C)C)c1 1837794868 DFJVKPHIPSEZLH-UHFFFAOYSA-N 481.681 5.198 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(Cl)cc1F)C2 1844253940 JSZCUZYSJUTYNN-UHFFFAOYSA-N 469.460 5.001 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 1846895550 RSQNMASEAPPAGE-UHFFFAOYSA-N 485.022 5.227 30 20 JKED COc1ccc(-n2c(SCC(=O)N(CC#N)c3ccccc3)nnc2-c2ccccc2Cl)cc1 8752346 GUPZBROULHZXTJ-UHFFFAOYSA-N 489.988 5.245 30 20 JKED N#Cc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)o2)c1 8804000 LKNRXJKKAIXJRY-UHFFFAOYSA-N 497.967 6.208 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172769 XOTFMXLHRZNXGA-UHFFFAOYSA-O 491.530 6.202 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)cc2)cc1 10829866 ZIVFKVHJKJNJNI-UHFFFAOYSA-O 461.626 6.556 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc(CC)cc2)c1C 11084323 DKQNWGRXTKOLBG-UHFFFAOYSA-O 478.638 5.271 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc3ccccc23)cc1 11126787 FGMNPAKCGQBVMR-UHFFFAOYSA-O 462.545 5.522 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 16862749 XOCQESGJVLBXON-CYBMUJFWSA-N 466.916 5.923 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 18972573 MSVJAWKEUNQKRS-UHFFFAOYSA-N 470.023 5.145 30 20 JKED COc1ccccc1-n1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1cccs1 22144383 MSJWGEFQJQCTFB-UHFFFAOYSA-N 493.639 5.351 30 20 JKED C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)Nc1ccc(N2CCCC2=O)cc1 22938976 QQWYCDFNHFJWJY-SFHVURJKSA-N 485.565 5.020 30 20 JKED N#CCSc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 22983958 OPBGMBLSZIKESV-UHFFFAOYSA-N 466.975 5.033 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(C(C)(C)C)cc2)c1C 28695943 UWCJTLMKGDWGAP-UHFFFAOYSA-O 492.665 5.753 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1ccoc1C 29356263 BEZOGXQQDZSBGI-UHFFFAOYSA-N 455.971 5.033 30 20 JKED COc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1ccc(Br)s1 32244153 SVAOHAMIFFWRGM-AWEZNQCLSA-N 471.376 5.461 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccco1 45643327 YQGDQJVBNGQFDN-STQMWFEESA-N 451.379 5.389 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 104660477 GMZWECNTDHURFL-UHFFFAOYSA-N 482.634 5.977 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCc1ccc(Cl)cc1 195662503 ONKVICIGBFPIBN-FQEVSTJZSA-N 475.957 5.936 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 255930446 ITVBNEVDYSCXLT-IRXDYDNUSA-N 469.010 5.155 30 20 JKED C=C(C)COc1cccc(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c1 303124880 ASWXQECRXMGYDC-UHFFFAOYSA-N 451.573 6.092 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 481284756 OYFBRJRLMMWJPP-UHFFFAOYSA-N 485.515 5.328 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)cc2F)c1 481597399 MUVJZSRLWMHWIS-UHFFFAOYSA-N 490.510 5.298 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1 493733325 DTVKPGRVNQPNFQ-UHFFFAOYSA-N 493.155 5.518 30 20 JKED Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)s1 498007628 QFDQGBMBEOROSS-QFIPXVFZSA-N 493.032 5.792 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 499331624 YQAOGOOCPOQLET-UHFFFAOYSA-N 452.717 5.350 30 20 JKED O=C(C[S@](=O)Cc1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 501209609 LUMJFGXUQBFZTL-WJOKGBTCSA-N 477.348 5.630 30 20 JKED C=CCN(C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nc(C(=O)OCC)cs1 501939625 DLJLLGGCGSUQCE-UHFFFAOYSA-N 485.009 5.261 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 502639924 XSABOMBMZUTICB-AWEZNQCLSA-N 490.368 5.072 30 20 JKED O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)N1CCc2cc(F)c(F)cc21 503167745 AMQOTVFZMCFZKP-UHFFFAOYSA-N 496.745 5.439 30 20 JKED N#Cc1c(NC(=O)c2csc(I)c2)sc2c1-c1ccccc1CC2 503377190 PNGBQRVEMAVLFZ-UHFFFAOYSA-N 462.337 5.304 30 20 JKED N#CCCCCNCc1cc(Br)cc(Br)c1OCc1ccccc1 504167135 CCBXIBWQXPKWSZ-UHFFFAOYSA-N 452.190 5.574 30 20 JKED Cc1nc(C)c(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)o2)s1 505299904 MFFNISYYOSSKNT-UHFFFAOYSA-N 496.593 5.018 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)n2)cc1 507055187 UIFXTBQLPWNZPF-FQEVSTJZSA-N 467.579 5.918 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 509098013 OVGDHRMCQYNWJQ-IEBWSBKVSA-N 492.954 5.568 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC1CCCC1 511420382 JVDJEPMJSCXTIS-UHFFFAOYSA-N 485.584 5.983 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 517678217 FZBKPIHUFUFCSI-UHFFFAOYSA-N 494.473 5.359 30 20 JKED CC[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1OCC(=O)N1CCCC1 519199166 QQIXOBHUHSHDCN-AREMUKBSSA-N 498.583 5.625 30 20 JKED C=CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 519507364 VDYYXZQZEFZSGI-CYBMUJFWSA-N 469.389 5.089 30 20 JKED C=CCN(CC(F)(F)F)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 519902556 OFNQSSFBJRWRNO-VBKFSLOCSA-N 461.465 5.712 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520388922 MNJPSUSNDYEWRL-MRXNPFEDSA-N 465.893 5.299 30 20 JKED Cc1ccc(NC(=O)COc2ccc(CCNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cc1 520476386 MPMWAKKXTKUEPL-UHFFFAOYSA-N 484.600 5.047 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 520539358 BPOCHTAJNGJLRA-OAHLLOKOSA-N 461.518 5.792 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1Cl 520589077 LTOYUMHKEAMRFU-RSXGOPAZSA-N 487.003 5.351 30 20 JKED COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)C[C@@H](C)C#N)c1OC 521014100 INTSQBSBEANGHD-AQOSXKMFSA-N 469.585 5.607 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1 524382743 SOSYCZLEKAKJMO-UHFFFAOYSA-N 463.234 5.346 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)cc1 589907233 MPEQSYSERMYTGY-UHFFFAOYSA-N 470.529 5.673 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 591137443 QIQCEBPXOXCLDH-QFIPXVFZSA-N 479.001 6.316 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 597127359 FWELQWRPSDLAIA-UHFFFAOYSA-N 477.664 5.409 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc2Cl)cc1 604090417 YGTWGGGRBHQTSA-UHFFFAOYSA-N 474.826 5.181 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 604393041 LUKZRTVGXJLIGB-UHFFFAOYSA-N 482.540 5.138 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cn2)c1 604452545 NOUDBXNEJUEFTF-UHFFFAOYSA-N 478.434 5.272 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NC[C@H]3CCN(c4ccc(Cl)cc4)C3)s2)cc1 604468250 UVLQMXAUEBDYFU-QGZVFWFLSA-N 485.038 5.003 30 20 JKED COc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(Br)c1 604566524 PEECBTHNRQHIAX-UHFFFAOYSA-N 451.320 5.355 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC3(c4ccc(Cl)cc4)CCCCC3)cn2)cc1 608796666 RDDOWDDMUYIRFJ-UHFFFAOYSA-N 488.975 5.356 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C 608916220 QIBDJMJCSMHBLA-UHFFFAOYSA-N 494.517 6.580 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(CNC(=O)C4CCCC4)cc3)c2)cc1 609032132 RKQAZCRMUWAMMN-UHFFFAOYSA-N 467.569 5.390 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 609078277 HWMDJCAEASLAAY-LJQANCHMSA-N 468.557 5.677 30 20 JKED C[C@H](c1cccs1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087381 LPZYFFUDDTWHBG-OAHLLOKOSA-N 453.951 5.010 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609111301 FOJPPMBFDQZLGS-BCHFMIIMSA-N 485.559 5.214 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCCN(c4ccccc4C#N)CC3)c3c(C)noc3n2)c(C)s1 609163481 NULASGABYXXLNE-UHFFFAOYSA-N 471.586 5.101 30 20 JKED CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1[N+](=O)[O-] 609377283 RXSWYENKYPIVDI-INIZCTEOSA-N 491.594 6.052 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1 609435608 BAQJCQKEWUTEPZ-NTKDMRAZSA-N 451.636 5.731 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 609438145 DACQIWQOAXWJEK-QGZVFWFLSA-N 488.451 5.713 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccc2ccccc2n1 617896407 UPXKRRGLHNROQL-NRFANRHFSA-N 470.326 5.740 30 20 JKED O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618904036 UPKYAROJMQLVON-PHIMTYICSA-N 474.327 5.486 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1(c2cccc(F)c2)CCOCC1 622400795 APCYOSLWZGEPCE-UHFFFAOYSA-N 465.365 5.064 30 20 JKED N#C[C@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 623759132 XVRIRFBLQUVQRD-CQSZACIVSA-N 480.393 6.010 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c1 726023188 CYTJHEUTWHPXDR-PBGLPUTKSA-N 495.664 5.127 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CC3)C2=O)c1 726414382 ADGXSDWVINNFOB-JOCHJYFZSA-N 451.592 5.213 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(C2CC2)C1=O 726414412 AWCKCWZKAUNQAL-NRFANRHFSA-N 488.009 5.259 30 20 JKED CCOc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/[C@@H](C)c1cccs1 726420523 INGDOANLNXKJOY-YPJHDTNPSA-N 494.642 5.132 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccc1)c1cccs1 726422377 WMVSPRWIPYDSCL-UXWDHBSWSA-N 467.591 5.477 30 20 JKED CCN(Cc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1)C(=O)OC(C)(C)C 726526157 MCRXGGUGVMNGDY-UHFFFAOYSA-N 475.545 5.740 30 20 JKED C[N+](C)=c1ccn(/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc3ccccc3o2)cc1 726571489 VROOXBIBCFTEAN-UHFFFAOYSA-O 475.981 5.114 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2Br)cc1 726572160 VIFDBSGSSNBXJE-UHFFFAOYSA-O 499.841 6.147 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1cnc2c(c1)c(C)nn2C 727780821 UHJUUHWISFNDGO-WTKPLQERSA-N 453.365 5.367 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccs2)c1 728422628 DLYRECLVFNXIJB-NRFANRHFSA-N 460.584 5.089 30 20 JKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccccc1C(F)(F)F 728667826 BZPSEPSALWCRJQ-OAHLLOKOSA-N 454.404 5.553 30 20 JKED CC(C)(C)C(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 729070941 VETDKKHBUYOZGG-BBRMVZONSA-N 464.418 5.578 30 20 JKED CS(=O)(=O)Nc1ccc(/C=C\C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 729320107 VYPSYVXINOKHTD-VKVQTHCXSA-N 465.962 5.019 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729881274 SWLWRETXWDIWGL-MZNJEOGPSA-N 498.583 5.729 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730435500 APEQIGZUGLPKPF-RGHBXIHOSA-N 465.372 6.076 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(OCc3ccccc3)cc2)cc1 730439812 BPUHQWPASRKEAW-UHFFFAOYSA-O 492.624 6.310 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CSc1ccc2c3c(cccc13)CC2 731066114 RPGSSFVBVVLUSL-KRWDZBQOSA-N 476.623 5.464 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CCn1c2ccccc2c2ccccc21 731072403 HFPGDWMEEIYZBE-LJQANCHMSA-N 471.582 5.618 30 20 JKED C/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(C(F)(F)F)cc1 731076721 CJIYEFSLCNQDOK-MDJJKAFGSA-N 462.493 5.685 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)ccc1F 731305927 IKVWNLOQZRPKGM-QFIPXVFZSA-N 481.524 5.139 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)cc2C)c1 731308854 QYABWWOGQWSRNZ-DEOSSOPVSA-N 489.597 5.178 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1Cl 731316256 UWWGEOMVEPBXQL-FQEVSTJZSA-N 497.001 5.139 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccc(F)c(Cl)c1 747112420 UMQKWVQJSIGWEV-CQSZACIVSA-N 482.751 5.799 30 20 JKED O=C1/C(=C/c2ccc(C(=O)O)cc2)CN(Cc2ccccc2Cl)C/C1=C\c1ccc(C(=O)O)cc1 747316842 DVRXZNRUVSJZJA-RNIAWFEPSA-N 487.939 5.288 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1ccccc1C(F)(F)F 747598305 ARWLMUDGKGPMJJ-SFHVURJKSA-N 490.532 5.322 30 20 JKED COc1cc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCC(F)(F)F 749794668 XXYUFXWOAUKBCB-QFIPXVFZSA-N 468.475 5.863 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)c1 799216099 SXHXIKNVZNZSSW-KRWDZBQOSA-N 469.916 5.479 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 809778919 XVNIJNCWILYBEJ-UHFFFAOYSA-N 452.923 5.494 30 20 JKED C[C@H]1CN(Cc2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)C[C@@H](C)O1 833079644 WFRIVSLMFOYAQJ-CALCHBBNSA-N 464.616 5.027 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1[C@H](C)c1cccnc1 837301949 QERAWOGDBADHRU-WZONZLPQSA-N 493.032 6.073 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 837382856 HARDDDZZPATZTD-VGOFRKELSA-N 462.550 5.251 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@H](C)c3cccnc3)C2=O)c1 837417957 AIXYJWLWVXWBDB-BWKNWUBXSA-N 486.641 6.037 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)cc1Cl 837538978 RPHFWMCSDDEEGR-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 837885342 ZQAFYBRCPSNWBB-VFNWGFHPSA-N 482.968 5.596 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2SCC#N)cnn1-c1ccc(Cl)cc1 913379102 XMAXGCWUHUEIQC-UHFFFAOYSA-N 468.966 5.060 30 20 JKED CN(C)Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)c1 914694656 QTIJZVJDKHNAGS-DEOSSOPVSA-N 490.604 5.048 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNc1ccc(S(C)(=O)=O)cc1 914836019 VIRKIGINSKLVPS-UHFFFAOYSA-N 471.797 5.050 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(Br)cc1 915086304 SGXRFPSJHKMPCM-QHCPKHFHSA-N 471.358 5.851 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 915354259 YKCYONVIHPCCKV-RUZDIDTESA-N 494.517 5.590 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc1 915759586 XSHITHZZBIXIRQ-MUUNZHRXSA-N 493.538 5.315 30 20 JKED CCOc1cc(/C=C\C(=O)[C@H]2C(=O)C=C(C)OC2=O)ccc1OCc1c(Cl)cccc1Cl 916137464 VTZJCIZCYBPJFP-LSYMRDCYSA-N 475.324 5.199 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2Cl)C1=O 916204134 ACPYOWZDFZWWMB-JOCHJYFZSA-N 479.989 5.509 30 20 JKED COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)cc1 916204812 DEIXKWBGJYMWSD-QHCPKHFHSA-N 495.551 5.176 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccco3)C2=O)cc1OC 916217259 JCSFXSBXPSUSQV-QFIPXVFZSA-N 493.585 5.074 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1F 916217806 WZGYOYVCOCUXGN-FDDCHVKYSA-N 495.551 5.257 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)cs1 916352644 SULDUOHSTGDSFG-PJIJBLCYSA-N 464.060 5.104 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 916885529 YXEFQGDOAGOXEU-SFHVURJKSA-N 475.763 5.339 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 916902718 GVKKGOHVFXPZSS-FQEVSTJZSA-N 469.545 5.358 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2ccc(F)cc2)s1 916904421 CLZIUXISJOJJMH-FQEVSTJZSA-N 456.498 6.308 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCN2c3ccccc3Sc3ccccc32)cc1Cl 916939456 SDRXVDWURZIBKL-QGZVFWFLSA-N 477.973 5.689 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc12 916942792 OXRIJYXNUHAFHH-SFHVURJKSA-N 469.353 5.663 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 916949811 PWKWYPFMHBINCO-CLOONOSVSA-N 474.582 5.135 30 20 JKED COc1cc(/C=C\C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1c(C)noc1C 917024939 DCDGFWIDBORRDR-FYJQUHEMSA-N 485.565 5.892 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2cc(Cl)ccc2s1 917045961 DSNGDIWBNARYMX-PBHICJAKSA-N 458.370 5.332 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1ccc(OCc2nccn2C)cc1 917517603 JGJPOXJNGUELLR-VAWYXSNFSA-N 450.901 5.182 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NN(Cc2ccccc2)Cc2ccccc2)cs1 917543881 RAUBSMJAXFIEJC-UHFFFAOYSA-N 475.017 6.517 30 20 JKED N#Cc1cccc(COc2cccc(/C=C3/SC(=S)N(c4ccccc4C#N)C3=O)c2)c1 917645162 SMWQFEBXKQTSEI-YDZHTSKRSA-N 453.548 5.415 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H]1CCN2CCC[C@@H]2C1 917663411 MUEQFROPMQDRRC-MQSCRBSSSA-N 497.064 5.236 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C)s3)C2=O)c1 917702359 GPJMYLMMFLWZQF-QHCPKHFHSA-N 488.638 5.706 30 20 JKED CN(c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F)C1CCCCC1 919653402 WIUDJPTVYRWJRO-KBPBESRZSA-N 469.445 6.189 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccc(Cl)s2)n1 920108721 YVDKNRSVQAHCJK-LLVKDONJSA-N 469.947 5.801 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(OC)c(Br)c3)n2)cc1 920139603 VULKHPPLRRZEOL-KRWDZBQOSA-N 471.376 5.399 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920354485 DAIXPEZLBUJVOA-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Cc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)n2)cc1F 920806534 ZVRJAVDZRVEAOI-CQSZACIVSA-N 468.460 5.395 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N 920844800 GOIPMTVOXVFKPC-UHFFFAOYSA-N 492.457 6.082 30 20 JKED N#Cc1ccc(CN(Cn2nc(-c3ccncc3)n(Cc3ccco3)c2=S)CC(F)(F)F)cc1 921188932 RWMFQQHEGNRLBX-UHFFFAOYSA-N 484.507 5.011 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccccc3)cc2)C1 1783041454 UXVLCYPDOMMSDA-PDDLMNHVSA-N 474.645 5.474 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)cc2F)C1 1783054891 PEMZZCZXGGZISU-HYBUGGRVSA-N 485.427 5.252 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(OC)cc3)CCC2)cc1 1786678150 FZSQIPBSGCYMSU-UHFFFAOYSA-N 487.625 5.424 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1786678807 YBMPCKKUPDLXOL-UHFFFAOYSA-N 473.038 5.552 30 20 JKED COc1ncccc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1786873640 RERXVCNLSWHXSH-HXUWFJFHSA-N 482.584 5.098 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4noc5ccccc45)CCC3)cc2)c(O)n1 1787173242 BIZKNERNFRRODS-UHFFFAOYSA-N 496.567 5.037 30 20 JKED Cc1ccccc1NCC(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1788107801 DYCMPJKFWRRXGO-BUHFOSPRSA-N 473.598 5.042 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cccc4c[nH]nc34)cc2)CCC1)c1ccc(O)cc1 1788455790 TUGLFSMQMMZLHS-NRFANRHFSA-N 492.579 5.213 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)cc1 1789014353 JUFUSQMCSYZULT-UHFFFAOYSA-N 460.537 5.362 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)CCC2)cc1 1789457845 BSHXTLPWGAYKJW-QFBILLFUSA-N 486.538 5.046 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789994884 WHLQAMZGGYKERI-UHFFFAOYSA-N 497.595 6.158 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3Cl)cc2)CCC1 1790205037 RXQZVCASOOPASN-IBGZPJMESA-N 487.984 5.150 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCc3ccccc3F)CCC2)cc1 1790564289 WHPDBTLXBOWQCK-LJQANCHMSA-N 453.558 5.083 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4ccccc4)n3)CCC2)cc1 1790568695 YBTMYQCTGUFRJV-HXUWFJFHSA-N 470.573 5.297 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cccc6ccncc56)CCC4)cc3)c2c1 1790836587 OIWVLZCMGOPVMI-UHFFFAOYSA-N 486.535 5.044 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(OC)c34)cc2)CCC1 1790920559 KHZMFEYJGRCBCF-UHFFFAOYSA-N 453.489 5.136 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)cc2)CCC1 1791198837 OBHFJLFJLDVHPT-FQEVSTJZSA-N 497.035 5.113 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)CCC2)cc1 1791576955 AGNUUQNRIHUVOO-SFHVURJKSA-N 473.598 5.005 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ncsc12)c1ccc(C#Cc2ccccc2)cc1 1798163726 MEJRTAHGSLQDRI-QEIWAGNOSA-N 491.616 5.262 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccccc1)C2)c1ccccc1 1798554088 XZSICFONIIXGIU-HVWQDESWSA-N 477.608 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc3cc(Br)cnc13)C2 1798593526 RXQNZKDQSHAIRZ-ACDBMABISA-N 484.438 5.242 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(-c3ccccc3)cc12 1799136680 SABAZZGFCXSLHX-KIHHCIJBSA-N 468.601 5.250 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799145883 MHFHJZXJHUNTKW-LRSLUSHPSA-N 473.642 5.917 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OCCCC(F)(F)F)cc2)C3)c1 1800768198 WLYVRJWOLPYDLB-NUNAXRQHSA-N 499.533 5.154 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1802389338 DKYSCXXZCFIBBL-PQHLKRTFSA-N 494.639 5.104 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3CSc3ccccc3)[C@H]2c2cccnc2)C1 1802414182 YRYHWHBWHPFUJF-FIPFOOKPSA-N 497.664 5.660 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)oc2ccccc12 1802963339 OAFFBDMYYLGKFZ-AMGIVPHBSA-N 497.982 5.161 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1803085702 BZHARXNUMBHYGW-AHWVRZQESA-N 451.655 5.462 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803089528 CCJLHDPQKVFVFG-QPPBQGQZSA-N 496.533 5.060 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1803093081 OSPDWQNYMDUQPY-FDDCHVKYSA-N 473.951 5.101 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccccc4)cc2)C3)c1 1803684480 KKENZLVLDWKIIX-YEHREXKJSA-N 479.580 5.672 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)cc2C(F)(F)F)c1Cl 1803891325 GFOAAGFXATZXIT-MUJYYYPQSA-N 496.316 5.449 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)cc1 1803899653 MAVNXKMXQVIPKB-BJWYYQGGSA-N 462.764 5.084 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)CCCC(F)(F)F)[C@H]1c1cccnc1)c1ccccc1 1804050166 UGMCEXUDUNLFKC-GIFXNVAJSA-N 485.550 5.017 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4c(Cl)cncc4Cl)C3)CC2)c1Cl 1804733991 HHTPEYPTXVNIEC-UHFFFAOYSA-N 491.806 5.072 30 20 JKED COc1c(C(=O)N2CCC3(CCCN(C(=O)[C@H](S)C(C)C)C3)CC2)cc2ccccc2c1Cl 1806062606 BEXGKMCRAHNDAR-HSZRJFAPSA-N 489.081 5.301 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[C@@H]1c1cccnc1 1807914564 FKKCKWMEPUFZSX-VGKYISKLSA-N 493.611 5.157 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1808146532 UKHPRLUBVJJJJF-ZCYQVOJMSA-N 489.660 5.497 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CC[C@H]3CNc4ccccc4C3)C2)CC1 1809839130 JQHHFTYXPLFILU-HSZRJFAPSA-N 465.682 5.275 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2Cl)[C@H]1c1cccnc1 1810275269 SRTGDQUMSNJCCB-HOFKKMOUSA-N 496.127 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)[C@@H]1c1cccnc1 1810491865 HKZPCJRUPHYLCR-GBXCKJPGSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1810500390 OVSDHMNBVLUPAG-CPJSRVTESA-N 493.051 5.837 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1810501207 HTGBHAKVZHLQFT-VGSWGCGISA-N 492.422 5.840 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1cc2scc(-c3ccccc3)c2[nH]1 1811302879 DNMCUXMBBXIRIV-DFHRPNOPSA-N 494.620 5.024 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2OCc2ccccc2)[C@@H]1c1cccnc1 1811439330 WKHFBQFEBGXQJH-GJZUVCINSA-N 490.003 5.210 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c(Cl)c1 1811734991 VCQALXXKIIXAPB-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812516551 TUUWUWIZXCGFKW-AVRDEDQJSA-N 496.385 5.238 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)[C@H]1c1cccnc1 1813060779 JSRUOVWOLWUABO-PIZZNKLWSA-N 490.692 5.019 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1813767483 CQMDEFYBKMBNOT-UZLBHIALSA-N 482.358 5.228 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)c(Cl)c1 1813831615 JPRIPRILXNMRDY-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813977928 UGCWLBDCFLDGBY-VFNWGFHPSA-N 498.863 5.281 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817738837 RGARWVHFGMPEMQ-VWLOTQADSA-N 487.604 5.069 30 20 JKED C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)sc2C1 1817932060 NETJFUCGPMGDKQ-SFHVURJKSA-N 495.004 5.013 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817947778 OIQKBOVRVBMFBQ-QGZVFWFLSA-N 475.927 5.370 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4cnccc4c3)n[nH]2)c(Cl)c1 1818645150 NQZJHXKOXUWBFL-QHCPKHFHSA-N 484.947 5.103 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)[nH]c12 1819024660 VAIQSIVZCLDAOL-HSZRJFAPSA-N 489.696 5.556 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)[nH]n1 1819304838 KAEOKOKQDSEDKA-RDPSFJRHSA-N 459.594 5.284 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)[nH]n1 1819305694 NSNNQPPHADRJAF-NQIIRXRSSA-N 476.606 5.003 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c1 1820908179 MJECBNJQMWOJCE-GKGXRWQJSA-N 459.594 5.479 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1820977776 YCKRXIYFGSJKJI-UGSOOPFHSA-N 499.921 5.189 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)n[nH]1 1821788053 WDOQAYLWCZXMID-JXFKEZNVSA-N 494.583 5.230 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1821920551 IOOAEZDDQIKEFL-QRQCRPRQSA-N 465.985 5.438 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)CCCCC)n[nH]1 1822007341 TUNOWBKFFRTWKW-SBHAEUEKSA-N 489.661 5.088 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1824058575 RBZQDRJFQYOKTL-NVQXNPDNSA-N 474.979 5.057 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCOc3ccccc3)CC2)c1 1826365613 SZAPBFRGFQYNBQ-CUNXSJBXSA-N 473.617 5.016 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccccc3)CC2)c1 1826369831 GHIYZDSZHABILA-WXVAWEFUSA-N 457.618 5.180 30 20 JKED O=C(c1cc2c(Cl)cncc2s1)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826523483 RRPOIYSIKGLQIU-HSZRJFAPSA-N 492.044 5.235 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826680021 OIAODWLDDXAIPM-QGZVFWFLSA-N 468.413 5.030 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)CC1 1826683846 NSKOWBPUJOAPCN-RUZDIDTESA-N 459.565 5.030 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827517215 DZHCCMQRNYSBFR-NRFANRHFSA-N 474.070 5.282 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)cc2Cl)CC1 1828829952 OHBIWQPMGMMMMX-URXFXBBRSA-N 459.030 5.350 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)ccc2Cl)CC1 1828830026 PHSLLMPKQHHNFY-ZJSXRUAMSA-N 459.030 5.350 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnccc2C(F)(F)F)CC1 1829068377 SLMDYTDLUBAYON-QHCPKHFHSA-N 493.614 5.645 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1829071719 XQECXRKZFSVVKZ-QHCPKHFHSA-N 493.614 5.645 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1829634576 WCRULIGRHPATPZ-NHCUHLMSSA-N 493.570 5.111 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cc(C)cc(C)c3)CC2)c1 1829677322 LSLFLIKFIGXYFV-NDEPHWFRSA-N 487.644 5.050 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)c1 1829778807 UTNFNPFMRQTRJE-VWLOTQADSA-N 493.051 5.285 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc(Br)cc2C)CC1 1829784714 FXFJRJPBSSZUHW-INIZCTEOSA-N 489.426 5.264 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3F)CC2)c1Cl 1829885157 YIGLSRBMMPVPBO-JOCHJYFZSA-N 471.935 5.037 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1829955235 ZXZFRVIHGMAABZ-GIPLCNRYSA-N 467.569 5.251 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1830416943 UZTHLQUKKUZUKJ-RHXAMEDASA-N 459.675 5.014 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578509 WTTKEHKQQKNOQM-HXUWFJFHSA-N 489.003 5.511 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1830718506 KNAGZZOPXXLMFF-QHCPKHFHSA-N 487.497 5.263 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1830784745 SQCAKDBBTCVHHO-TUJXVDMFSA-N 493.479 5.007 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1830785011 FAPSFDWADBJHGH-JJNABOQBSA-N 494.657 5.046 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)CC2)c1 1830877990 GUAXDOZHWIUOMU-SANMLTNESA-N 487.003 5.307 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1cccs1 1832146178 IWIACJBEGZGJNB-UWJYYQICSA-N 470.038 5.310 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1)c1ccccc1 1838416933 XZSSNUSPUHBCRO-MHZLTWQESA-N 493.047 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)C1 1844753137 ILIWABGMHFJVQV-LJQANCHMSA-N 452.982 5.087 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)cc1C 10170979 CPFAUWUDBIAWMK-UHFFFAOYSA-O 469.586 6.140 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(OC(F)F)cc1 10172756 UPNWWUJMNVGKTH-UHFFFAOYSA-O 496.386 6.496 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=S)N[C@@H]1c1cccc(C#N)c1 10361498 HKMXQKGXSFIOFN-AREMUKBSSA-N 482.609 5.532 30 20 JKED C[C@H](OC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 14402600 ICMQFOVYQDOQCI-INIZCTEOSA-N 463.559 5.047 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)n(-c2cccc(F)c2)c1C 16617540 DSMRPIQLAAZXNA-UHFFFAOYSA-N 481.940 5.539 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OCC)nc2sc3c(c2c1=O)CCCC3 16715441 PWMKMVKZCQFZAH-OAHLLOKOSA-N 469.632 5.041 30 20 JKED Cc1ccc(-c2ccsc2C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)cc1 17344633 LYVGVAIDGJQVSM-UHFFFAOYSA-N 467.616 5.227 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SCC#N)n2-c2ccccc2)cc1 21174997 MQPHYICPPCOFOU-UHFFFAOYSA-N 487.610 5.289 30 20 JKED C[C@@H](c1ccccc1)n1c(SCC(=O)Nc2ccccc2SCC#N)nc2ccccc2c1=O 22156288 INPNGVDZQKMWDW-SFHVURJKSA-N 486.622 5.352 30 20 JKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)c1 22729829 HIWJMIRZDNYFNK-UHFFFAOYSA-O 451.681 6.618 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2scc(-c3ccccc3)c2c(=O)n1C 23523341 DKUBSFKYPKUFSC-INIZCTEOSA-N 481.668 5.419 30 20 JKED Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)o2)c1 24505675 YFGFRBIZPRKWAA-UHFFFAOYSA-N 463.607 5.879 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nc(C3CC3)cs2)c1 25560720 NVGSYADLGYADMJ-UHFFFAOYSA-N 474.007 5.308 30 20 JKED C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 26973591 GFBFAACXAAPTSV-QGZVFWFLSA-N 499.015 5.087 30 20 JKED CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 72039086 UIZMTLIGUONTPK-UHFFFAOYSA-N 453.420 5.367 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2[nH]c3ccccc3c2Br)n(C2CCCC2)c1C 107534538 TZGCSOFTTZLTLR-UHFFFAOYSA-N 483.366 5.131 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cc(-c3cccs3)nc21 107567154 VDQOIWAQQNACTO-UHFFFAOYSA-N 485.491 5.806 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 195630370 LDBLYPHWWOKORY-QHCPKHFHSA-N 462.933 5.601 30 20 JKED N#CCN(C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)c1ccccc1 195730267 URDVSILRYIEDJK-UHFFFAOYSA-N 481.577 5.252 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 303381358 WATIKPZNSKOWAG-UHFFFAOYSA-N 455.539 6.500 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 409865086 QKKOKEKKNOGQDD-LJQANCHMSA-N 494.638 5.962 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cs2)cc1 481902991 VTCNQNMEMQTSLC-UHFFFAOYSA-N 461.465 5.025 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCN(Cc4nc(-c5ccc(Cl)cc5)no4)CC3)c2)cc1 484863118 JBLMDTSUAIYRPO-UHFFFAOYSA-N 499.958 5.012 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 489290726 MKRRTXLILHACPI-UHFFFAOYSA-N 455.992 5.493 30 20 JKED C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491062123 QHZRDEBLXCLKGJ-INIZCTEOSA-N 491.034 5.162 30 20 JKED Cn1c([C@@H](NCc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc2)nc2ccccc21 508079334 JIZMYIUFQUOULG-LJAQVGFWSA-N 458.565 5.903 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 508294456 XZBUWESUOXDDKC-AREMUKBSSA-N 450.498 5.665 30 20 JKED CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 509549185 MSSCKXNVVXATLT-QFIPXVFZSA-N 469.427 5.551 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c2)cc1 509900175 QGPXJRQYXNCMNX-UHFFFAOYSA-N 482.584 5.279 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1Cl 510021937 BDNFJPZXXMWDRL-XMMPIXPASA-N 457.961 6.122 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1Cl 510024704 WJWJQWFXWSDNLP-QFIPXVFZSA-N 469.976 6.283 30 20 JKED CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510057487 QGXTUVNTVYBCEH-HSZRJFAPSA-N 467.013 5.544 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 511514091 RFTRZGIROBTLJM-HNNXBMFYSA-N 452.436 5.712 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 512994458 UTORBAJUNPWWPY-UHFFFAOYSA-N 496.567 5.043 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 518014322 TXWGJQOLGIJILG-HNNXBMFYSA-N 450.882 5.660 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1Cl 518112918 SWFPUPQGYKOLIB-HSZRJFAPSA-N 495.970 5.126 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 518671265 WMHYEYJMTISMQD-RBUKOAKNSA-N 459.571 5.547 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 518683055 GXXGXCGZBPPCCF-HNAYVOBHSA-N 460.397 5.306 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 519877559 FTZNCRCNNYUERZ-HSZRJFAPSA-N 488.931 5.057 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 520317520 RTXYJZWTPHYUPF-LLVKDONJSA-N 481.427 5.291 30 20 JKED N#C[C@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 520429878 VZPYKWYOISHFFO-OAHLLOKOSA-N 450.491 5.871 30 20 JKED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)cc1 520450465 KTFSPUPFBQPWKQ-UHFFFAOYSA-N 492.450 5.062 30 20 JKED C=CCN(C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 521797953 VYFZJZKJMBTWRN-VGOFRKELSA-N 472.515 5.337 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521859740 QHXRBKLUMFMLCE-UHFFFAOYSA-N 464.403 5.673 30 20 JKED Cc1nc(O)cc(-c2ccc(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc2)n1 524119966 UKLMKYHDUQXJQA-UHFFFAOYSA-N 485.931 5.906 30 20 JKED Cc1nc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)sc1SCC#N 524318587 WYSFOQAGQGNFOL-UHFFFAOYSA-N 467.963 5.690 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Nc2cnn(C(C)C)c2)c1 550840187 RFWLDKZQTBHHGK-UHFFFAOYSA-N 492.523 5.116 30 20 JKED CCC[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 588726225 HFAXVIISBRHTKS-KFWWJZLASA-N 464.372 6.319 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c3c(C)noc3n2)c(C)s1 590855968 VXRCCWMNDHJVPU-UHFFFAOYSA-N 485.613 5.096 30 20 JKED N#Cc1ccc(OCC(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 592951229 ZOQNOHPZTQJRHR-HXUWFJFHSA-N 487.503 5.292 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)nc(O)c2c1C 602754952 DERJBESLEBIPLR-GXFFZTMASA-N 472.661 5.332 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 603738504 KRKAPAVKBWQOIO-UHFFFAOYSA-N 478.533 6.690 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1Cl 603758814 JBKFVDMVNFJWOW-QHCPKHFHSA-N 485.996 6.239 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cs2)cc1OC 603763792 GPRWIOHRVAMXEQ-UHFFFAOYSA-N 458.499 5.139 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603814604 NGUIIUAIEVSFQQ-UHFFFAOYSA-N 467.573 5.110 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2OC(F)(F)F)cc1Cl 604136942 DTXIYEBQGCUEGZ-IBGZPJMESA-N 487.865 5.149 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 604139826 YHSLIBIGUSYPOQ-GMAHTHKFSA-N 466.368 5.855 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)[C@H](C)c1ccc(C#N)cc1 604343127 SBVADHZSHVSUCP-OAHLLOKOSA-N 474.007 5.297 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccccc2)cc1 604419929 ZZUHHFBKROAXDD-MHZLTWQESA-N 477.520 5.203 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 608876233 GUFJAQDCAMQVCA-LEWJYISDSA-N 466.566 6.352 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 608968839 WPHZULHFRALNKO-HSZRJFAPSA-N 469.610 5.699 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 608993464 CKDWMUJNWZUMDF-RUZDIDTESA-N 459.619 5.196 30 20 JKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062156 AWHRNNAALNPMKG-MRXNPFEDSA-N 480.973 5.697 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609062386 ILIKKFIYUNDLEE-UHFFFAOYSA-N 456.502 5.206 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccccc1SCCC#N 609375499 GGHZBMYFPAIKCD-UHFFFAOYSA-N 459.497 5.090 30 20 JKED COc1ccc([C@@H](C)NCc2cccc(OCc3ccccc3C#N)c2)cc1Br 609432715 LOQIEZXABYKONU-QGZVFWFLSA-N 451.364 5.759 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(c4ccc5cccc(O)c5n4)CC3)cc2)c1 609433041 XHBPKTYFIWAINV-UHFFFAOYSA-N 464.525 5.459 30 20 JKED Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 613404545 OKAUDRYBZUFONI-INIZCTEOSA-N 489.569 6.862 30 20 JKED O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 622584627 GRPAEIXMNMTJRS-LJQANCHMSA-N 475.364 5.034 30 20 JKED O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 622618477 KLIBGKNBQZTJCO-AWEZNQCLSA-N 462.409 5.516 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(-n2nccc2C(F)(F)F)c1 623589318 DJUXHKUSFQPXSM-ITGUQSILSA-N 473.339 5.530 30 20 JKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C 663579135 VTXBNPJHPVOYTG-AWEZNQCLSA-N 462.040 5.221 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@H](C)Cc2ccco2)c1 726405193 KZQVYTJVQNAAPD-CJAUYULYSA-N 499.592 5.055 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726421357 MRJMDNMWDAHGFF-SQWWRHCISA-N 485.553 5.099 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2ccc(C)s2)C1=O 726422341 VJGLBLQLUBEOQU-KAVHPSCTSA-N 499.683 5.717 30 20 JKED CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 726426138 ISQAYBOGQALUAF-UHFFFAOYSA-N 451.476 5.156 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc2c(c1)CCC2 726570763 KZEZYYJHZYFFOV-UHFFFAOYSA-O 461.010 5.874 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@@H](C)c2cccs2)c1 726577639 LGMXWHQIXIFIEI-SFHVURJKSA-O 466.652 5.312 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 727222408 CWKQOGOCUBBWIH-HSZRJFAPSA-N 476.939 5.124 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 727999883 VTGIKYIKXYCEEA-UHFFFAOYSA-N 456.889 5.607 30 20 JKED Cc1ccc(N2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)cc1 728393452 WJVOKZHQPYTHQN-UHFFFAOYSA-N 458.537 5.329 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)cc1Cl 728778375 POFJIAFHMBLAIB-HXUWFJFHSA-N 470.982 5.003 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)cc1 728779535 JOXFESQRGNWKHC-QHCPKHFHSA-N 462.619 5.520 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c1 728779754 KLJVEESOCXIHQT-HSZRJFAPSA-N 462.619 5.520 30 20 JKED C=CCn1c(-c2ccco2)nn(CN(C)[C@@H]2CCSc3ccc(Br)cc32)c1=S 728908736 IZVHIBWKWOAEPG-MRXNPFEDSA-N 477.453 5.749 30 20 JKED COCc1c(C(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)sc2cccc(F)c12 728972645 KOTVSHGIUNOHRW-LJQANCHMSA-N 495.416 5.386 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3scnc3C)C2=O)cc1 729145057 HMJMAVAGWRAFHJ-HXUWFJFHSA-N 482.606 5.368 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2ncccc2C)C1=O 729631457 JAEKGGKXDTYHJS-ICAVPRFASA-N 494.642 5.050 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 729634216 JODKYMFDAODXFH-OAQYLSRUSA-N 464.978 5.204 30 20 JKED CS(=O)(=O)Nc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 729820714 WOHKTRLSHVSRJX-FLIBITNWSA-N 489.380 5.513 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(C3CCC3)C2=O)c(OC)c1 730459709 MCUNBEZZNVYVAP-OAQYLSRUSA-N 488.009 5.178 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1F 730943588 GWZKSCYMJASTSV-JTSKRJEESA-N 462.550 5.251 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 730952893 YJPGINDVOHRJSI-AWEZNQCLSA-N 458.659 5.646 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)cc12 731061486 CGRSXGIBWUJPHQ-MRXNPFEDSA-N 490.610 5.443 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(F)(F)F)c1 731304526 SUIRQACHXPDDAT-GOSISDBHSA-N 465.497 5.171 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 732622058 OWDPYVSTQNTRCU-UHFFFAOYSA-N 492.044 5.917 30 20 JKED COc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc1OCCCC#N 747361165 DJHLGLBQMJEERX-CPNJWEJPSA-N 477.973 6.492 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(COc4ccccc4)c3)CC2)c1 749332434 MJJWEUHCPYELJE-UHFFFAOYSA-N 454.530 5.020 30 20 JKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 750301468 GEOOTQIXIGXALE-IDISGSTGSA-N 450.586 5.790 30 20 JKED N#C[C@@H](C(=O)[C@H](c1ccccc1)n1cccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 750668039 MWJWSSZNUOZLRL-PXNSSMCTSA-N 453.354 5.779 30 20 JKED Cc1nc(COc2ccccc2C(=O)OCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cs1 753014108 YETTWERCVLPXDG-UHFFFAOYSA-N 483.977 5.096 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(Cl)cc1 799219503 SLGKMRLPCCWEOD-MRXNPFEDSA-N 466.777 5.240 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(OC[C@@H]2CCCO2)cc1 839392675 PWLPDNKOOZMRAD-NRFANRHFSA-N 479.989 5.527 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(OC[C@H]3CCCO3)cc2)c1 839407670 YFWSLCDYWLHOLG-OAQYLSRUSA-N 466.607 5.018 30 20 JKED COc1ccc(Cl)cc1NC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1cccc(C#N)c1 840198267 CGMBAPMKHPIJHL-HSZRJFAPSA-N 492.988 5.461 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 854508256 INUBYASDBJERJA-QFIPXVFZSA-N 493.567 5.043 30 20 JKED CC(=O)Nc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)cc1 873982477 MWNLMJHRYGRWCQ-XMMPIXPASA-N 486.597 5.114 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 893728697 VHVHGDKNXJATKG-UHFFFAOYSA-N 474.991 5.092 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 914547358 NFXJUESCZNDTIT-FQEVSTJZSA-N 498.967 5.043 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc(-c2ccccc2)cs1 915101869 JHUHRLHDIVMSEU-LJQANCHMSA-N 452.626 5.934 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103524 WNNRSPMHYHGEAF-QGZVFWFLSA-N 471.369 5.515 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc2cc(C(F)(F)F)ccc2s1 915103687 BSNFTWXINMNFCV-AWEZNQCLSA-N 475.879 6.433 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1OC 916204469 GIKUBHJSSYJHNS-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C2CC2)c1 916204621 BPWPNUMITZRGCP-SFHVURJKSA-N 498.819 5.778 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)cc(C)c1 916210798 JHNVCEMJTUKUAE-IBGZPJMESA-N 463.525 5.693 30 20 JKED COc1ccc(-c2ccc(C=Nn3c(C)nc4sc5c(c4c3=O)CCCCC5)o2)c([N+](=O)[O-])c1 916272691 IJFGXBCJPTXVHX-UHFFFAOYSA-N 478.530 5.094 30 20 JKED CN(Cc1csc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916721360 VZRKDULUHOHOOR-WNAAXNPUSA-N 484.647 5.158 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)COc1ccc(Cl)c2ccccc12 916903628 VBNHSZIAIFFCAB-INIZCTEOSA-N 457.313 5.190 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 916925373 JKPATZUXYADKKU-OAQYLSRUSA-N 466.497 5.072 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc3ccccc23)n1 917652566 NHXNFFNALXNKDL-VWLOTQADSA-N 498.583 5.843 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C#N 917702605 GWTKGVABDIGIMG-VWLOTQADSA-N 498.608 5.174 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 917774910 VABAQTGWSLBQIN-UHFFFAOYSA-N 459.571 5.662 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1 918034504 RKDJGXNCWBOEDI-SANMLTNESA-N 461.525 5.311 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 918608403 JFZHABCBVYUPFK-JLPGSUDCSA-N 482.414 5.273 30 20 JKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1csc(COc2ccc(Cl)cc2)n1 918710527 SFNOPAMLKWVKBU-UHFFFAOYSA-N 462.387 5.458 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919514245 PDUGQLDIBVUYCG-MRXNPFEDSA-N 489.553 5.116 30 20 JKED N#C[C@@H](C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)c1nc2ccccc2[nH]1 920102894 MAASKNRDCNRIRT-HNNXBMFYSA-N 460.324 5.763 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 920353323 HENLUVJBKIFFBQ-NRFANRHFSA-N 482.993 5.414 30 20 JKED N#C[C@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc(-c2c(F)cccc2F)cs1 920805344 CDNUDESCBYRTKE-MRXNPFEDSA-N 479.464 5.189 30 20 JKED CCOc1ccc(C=Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2OC)c(O)c1 920942592 HENWJPWPHNRFQS-UHFFFAOYSA-N 460.939 5.004 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 921102606 DTGGAXLKAZOIHK-UHFFFAOYSA-N 452.344 5.154 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1348430718 RFPUBZMPGUUCTP-UHFFFAOYSA-N 458.905 5.315 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 1461655910 OEMBRXLQIFIPOW-QHCPKHFHSA-N 451.979 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CCO2)C1 1779241729 YCBNGWBEMQMURA-HKBQPEDESA-N 497.639 5.338 30 20 JKED CO[C@](C)(C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CC3)CCC2)cc1)c1cccc2ccccc12 1785814672 HCNYRUYDCSTGOM-MHZLTWQESA-N 467.569 5.139 30 20 JKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)CC#N)cc2)CCC1)c1cccc(NC(=O)OC(C)(C)C)c1 1787647643 NOHOQASYZJQCTL-GOSISDBHSA-N 476.577 5.185 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2)CCC1 1788684219 JCJNWRZIQBPNAV-UHFFFAOYSA-N 490.629 5.244 30 20 JKED Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(F)c(C#N)c5)CCC4)cc3)c2[nH]1 1789019140 PPVSQRKKPLNYLF-UHFFFAOYSA-N 480.543 5.478 30 20 JKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](S)C(C)C)CCC4)cc3)ccc2s1 1789046571 YLXQKNHXSREXSH-NRFANRHFSA-N 453.633 5.307 30 20 JKED CC(=O)Nc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1 1789178176 ADBJBRFZXFRWKT-HXUWFJFHSA-N 494.595 5.262 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccoc4c3)CCC2)cc1 1789508765 INDVCCWTKLMVAV-UHFFFAOYSA-N 473.649 5.627 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4csc5c4CCCO5)CCC3)cc2)c1 1790256055 QIGVTZPDOHDIIG-UHFFFAOYSA-N 457.555 5.006 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)c(C(F)(F)F)o1 1790519170 KORQEUBNKOVFNU-UHFFFAOYSA-N 499.464 5.608 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3c(F)cc(Cl)cc3Cl)cc2)CCC1 1790720887 QRNDWZIYDBBQFO-XODNFHPESA-N 488.346 5.592 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3nc4ccc(Cl)cn4c3C)cc2)CCC1 1790975633 BQLBOZBWDUCZTN-UHFFFAOYSA-N 472.923 5.255 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCc4cccc(Cl)c43)cc2)CCC1 1791141730 ZWNONDLDVHMXRE-UTKZUKDTSA-N 467.997 5.305 30 20 JKED C[C@@H](c1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1)C(F)(F)F 1791146579 PFADWBLCHVNWDV-KRWDZBQOSA-N 457.496 5.333 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccnn3C(C)C)CCC2)cc1)c1ccc(O)cc1 1791642834 ZMZVWEQTMRDPHU-QFIPXVFZSA-N 484.600 5.115 30 20 JKED Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)n1 1792122466 ASPNTNFTRXIMSF-HXUWFJFHSA-N 466.585 5.398 30 20 JKED COC(=O)[C@@H]1CCC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)C1 1792126598 GOPGWLHHYTWPKL-WTIAFYNJSA-N 487.600 5.041 30 20 JKED CCN(CC)C[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792127151 RCHPUUNCGVFVTE-SFTDATJTSA-N 460.622 5.039 30 20 JKED Cc1c[nH]cc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168505 JUEGJLHBONGTSX-UHFFFAOYSA-N 456.546 5.044 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4Cl)CCC3)cc2)cc1C#N 1792168755 VLVYBGCIRUFITO-UHFFFAOYSA-N 488.975 5.455 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3(C)CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205725 ANNKQQBHMQFPPA-NRFANRHFSA-N 469.626 5.170 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc2)CCC1 1792325967 HOLLTKIYWYFQHC-UHFFFAOYSA-N 471.642 5.418 30 20 JKED Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)cc1Cl 1800739907 IOBVUUBKJSYTMT-ACDBMABISA-N 475.898 5.105 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)c1 1802230163 OFNLNSBCHFSQAQ-YLJCJYEASA-N 495.545 5.316 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)C1 1805459532 NDBVVBTXBSLNKK-UHFFFAOYSA-N 466.519 5.458 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(F)c2)[C@H]1c1cccnc1 1807878108 PNRVEPHIEZLTBT-KSCKTEMCSA-N 498.602 5.371 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@H]1c1cccnc1 1809692189 HIIWVFCYNFWVNL-HOYKHHGWSA-N 480.559 5.153 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccoc23)[C@H]1c1cccnc1)c1ccccc1 1810448922 ZXWISENAJDCHLG-PBWSGDRGSA-N 491.591 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1810494317 HFTILRYFMIULHS-LBNVMWSVSA-N 496.655 5.764 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1812469508 ZSQDRKGQJADNIR-XRODADMRSA-N 465.613 5.098 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1812593012 WZAGZCWPUIGOLR-PXARDIRTSA-N 464.368 5.059 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1812669484 AYLQTOGXUCKSFY-IERDGZPVSA-N 489.975 5.481 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1812935047 LAUZQERVYNZPNX-MBEZDYHHSA-N 488.607 5.109 30 20 JKED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1813042699 JWMFTDMKOBGDJR-PIBDYAPNSA-N 491.682 5.012 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](c3ccccc3)N(C)Cc3ccccc3)[nH]n2)C1 1814397311 MGQPNZGQNVHMHG-XCZPVHLTSA-N 497.643 5.241 30 20 JKED CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CCCC1 1814531388 MLQPSRPJTOFCKA-IBGZPJMESA-N 473.499 5.186 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)cc1 1814578615 LCCQWZZOIHFWRR-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)[nH]n1 1815216648 KQFFLFVRTZZLQH-NTKDMRAZSA-N 490.604 5.004 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c1 1817822986 XCHPKNMNPSFSJV-HXUWFJFHSA-N 473.558 5.028 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114184 MJSNROYUDYZDIU-DAZOGFOGSA-N 494.642 5.083 30 20 JKED Cn1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)cc2ccccc21 1818438123 PAXZJWAIQFKOFX-HSZRJFAPSA-N 489.696 5.258 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)nc3ccc(O)cc23)n[nH]1 1819005698 SCHMPFAJUGANCH-CYFREDJKSA-N 473.577 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819155098 XIZTVYIVPLKBDP-LJQANCHMSA-N 451.596 5.318 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CC2)[nH]n1 1819303715 ZSBDQLXIVCHJNM-RBBKRZOGSA-N 450.558 5.041 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=N/N3CCCCC3)n[nH]2)cc1 1819395674 CCICKTZVKLQLCF-RLBBTWETSA-N 498.631 5.163 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(C)C)on2)[nH]n1)c1ccccc1 1819518745 ZNRJFIACWCPDSC-NFBKMPQASA-N 473.577 5.024 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccncc3-c3ccccc3)n[nH]2)cc1 1820006784 LQAOAWWGKIWNFT-SANMLTNESA-N 490.567 5.157 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820089045 GSLJVOZCNGWLHT-NRFANRHFSA-N 469.545 5.056 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)cc1F 1820497658 SXIHITAQIPDLRW-QHCPKHFHSA-N 489.551 5.136 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n[nH]1 1821002766 GOBUXHOQYLEFTC-YADARESESA-N 485.588 5.180 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1)c1ccc(Cl)cc1 1821179019 NUMFZJBNTBBTLR-UZUQRXQVSA-N 475.980 5.239 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5c(ccc6ncccc65)s4)sc3C2)C1 1821182058 IDMVUQKKLKQSNH-HNNXBMFYSA-N 474.611 5.098 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)[nH]n2)c1 1821274215 OAYUSAJEWUSYOF-JXXFODFXSA-N 491.489 5.095 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cn1 1821274839 PNLUQSYIQAKJIE-NRFANRHFSA-N 490.995 5.247 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821611814 RRYBHGHPYKVFGH-FYYLOGMGSA-N 486.572 5.188 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1821985823 IGBLQZCJMRIJSY-QGZVFWFLSA-N 475.927 5.370 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)n[nH]1)c1ccc(O)cc1 1822326168 OACFSJMGSLHYJK-NRLAXTHWSA-N 496.611 5.108 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)nc2C)n[nH]1)c1ccccc1 1822652236 NCANWYQCFSLZQK-VPUSJEBWSA-N 497.643 5.244 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)[nH]n2)c1 1823215018 LNLRLADYQNQBMQ-GYCJOSAFSA-N 484.535 5.277 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)ccc2c1 1823215654 ZEBOTUYUXJCCOI-BCHFMIIMSA-N 492.583 5.513 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccs3)[nH]n2)cc1C#N 1823291448 RXORKYPFWQKGTE-QFIPXVFZSA-N 491.617 5.069 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1823811563 JYSOLUALHJYWHN-RSXGOPAZSA-N 490.047 5.104 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1823813361 XUALVFLKMPRTNV-GDLZYMKVSA-N 492.623 5.096 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2OC)CC1 1824145120 SHZGOQMYRQIGDX-SANMLTNESA-N 482.665 5.025 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)CC1 1824155480 OSIMLHJGUNZYDT-IZZNHLLZSA-N 479.665 5.184 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1824502045 SLUKVTGUAJGXGT-QFIPXVFZSA-N 489.081 5.771 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1824539037 UTEZFMIYWNWXPG-TZIWHRDSSA-N 462.656 5.228 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn3cc(Cl)ccc3n2)CC1 1828079935 FFRPSTLVYCGTQP-JOCHJYFZSA-N 471.045 5.213 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1830017061 SPBDMCZAVFXESB-MHZLTWQESA-N 484.644 5.096 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)cc2)CC1 1830359461 XEWABEFIIGXPQG-LOSJGSFVSA-N 497.680 5.088 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1830633069 FVLJHRHZIQROMN-HSZRJFAPSA-N 485.962 5.231 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)CC1 1830637797 VMKYZYKPUCESSO-XMMPIXPASA-N 463.622 5.567 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830714262 VLZGNDXHBIUBLA-KBMIEXCESA-N 479.621 5.111 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1 1830770257 SILZRTCFMWGPFO-HSZRJFAPSA-N 467.972 5.206 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)c(F)c3C)CC2)c1 1830771155 PROIYHBCRJDPAU-XMMPIXPASA-N 465.544 5.000 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)S)CC2)cc1Cl 1830783926 QJQUCQZVOBQFIE-MGPUTAFESA-N 487.493 5.332 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)CC1 1830802147 HWWAEKQJYVCPHB-QHCPKHFHSA-N 483.653 5.460 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 1831447676 ZZDZMKMWZVXBGG-SFHVURJKSA-N 487.360 5.033 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1)C(F)(F)F 1831452924 QJOVWXIMZHLDDF-HXUWFJFHSA-N 467.919 5.173 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1C 1831714878 UBDJIDMBQVBKOZ-XMMPIXPASA-N 494.035 5.005 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c(Cl)c1 1831787697 WAGSGZCXGJWWAJ-GNKBHMEESA-N 476.020 5.249 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1831849709 CDXKUAAKFDSZLC-VWLOTQADSA-N 495.461 5.639 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2nc(-c3ccccc3)sc2C)CC1 1831850185 FPYSQHRUBMWZIJ-VWLOTQADSA-N 477.674 5.084 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(F)CCCCC2)CC1)c1ccc(O)cc1 1831924206 JAOWNGRLCXSIFK-AZGAKELHSA-N 482.640 5.181 30 20 JKED CCCc1onc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832630481 ITWZGXLFLSINAB-NTKDMRAZSA-N 476.621 5.110 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c1 1832634651 SWAGDIMKSGDKDF-RXFWQSSRSA-N 469.585 5.607 30 20 JKED Cc1cccc2c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)n[nH]c12 1832635032 ZKZOFHGPPXGILD-CJFMBICVSA-N 483.616 5.046 30 20 JKED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 1843187159 LZUCDWGRNJGIHQ-QHCPKHFHSA-N 487.987 5.009 30 20 JKED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3Cl)c2)C1 1845542830 PLRXMDAHMHHYDG-CQSZACIVSA-N 498.954 5.286 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1Cl 9826305 BPMIIWVUVGYORM-CYBMUJFWSA-N 491.400 5.136 30 20 JKED COCc1c(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)sc2cccc(F)c12 12481540 PMAXVNIERKDDSU-UHFFFAOYSA-N 483.565 5.387 30 20 JKED COc1ccc(-c2nc(CC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cs2)cc1OC 14905761 OPTUGYZEXVSKOQ-UHFFFAOYSA-N 456.523 5.514 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCSc2ccc(Cl)cc2)c1 15028607 LHKSPNBRLQATBF-UHFFFAOYSA-N 482.030 5.465 30 20 JKED C=CCn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccoc1C 21134407 CWJUWDXUPDBGLQ-XMMPIXPASA-N 454.555 6.230 30 20 JKED CCc1cccc(C)c1NC(=O)COC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 21143571 POTJWGJEGBDVCV-SFHVURJKSA-N 486.597 5.201 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1cc(C)cc(C)c1 22730190 UUZBTOFZFSPAGF-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 22730317 VRBNOSOHZIGQDN-UHFFFAOYSA-O 489.633 6.900 30 20 JKED COc1cccc(-n2c(SC[C@@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCCCC4)c1 24093979 CKCBBQQERAEVER-MRXNPFEDSA-N 464.616 5.260 30 20 JKED Cc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1NC(=O)c1ccccc1F 32291561 SHRLGEDAEHTLQM-UHFFFAOYSA-N 479.511 6.089 30 20 JKED Cc1ccc([C@H](NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)c2cccs2)cc1 45428653 CERTUHYFSCMOEW-FQEVSTJZSA-N 461.534 5.648 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc2)cc1 195625256 SBUZLFUWIXUSBW-UHFFFAOYSA-N 486.515 5.045 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1Cl 302976872 UHXBGTCAUSTQCQ-WIOPSUGQSA-N 471.988 5.415 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 303210450 OLBYXELEVUGKRX-UHFFFAOYSA-N 472.552 5.098 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 303273844 IDPNBDKSJICYMD-INIZCTEOSA-N 451.621 5.175 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1cccc(C)c1 303337688 XUOKWDYCSLZSHA-GOSISDBHSA-N 465.648 5.789 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)s2)cc1 487294470 UDCKYFJQUMNHLN-UHFFFAOYSA-N 450.976 5.564 30 20 JKED Cc1cccn2cc(COc3ccc(C(=O)N(Cc4ccc(C#N)cc4)CC(F)(F)F)cc3)nc12 487847297 VZYROHSVVWLVPQ-UHFFFAOYSA-N 478.474 5.298 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCCc3occc32)nnc1-c1ccc(Cl)cc1Cl 493307587 WTHUPJGVHJTAHZ-QGZVFWFLSA-N 463.390 5.317 30 20 JKED N#CCCn1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 493624477 XATOTZBCUHIECS-UHFFFAOYSA-N 479.540 5.324 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 494648302 MYCGHQDXQVOFEE-UHFFFAOYSA-N 476.476 5.074 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)n2)cc1 501162633 PRADSUPCIGCNMC-UHFFFAOYSA-N 484.531 5.621 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)COc3cccc(Br)c3)c2)cc1 501453541 MZGGJOLFFCRXBI-UHFFFAOYSA-N 451.320 5.112 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 501551039 MJXKFJJHCJZYON-JKSUJKDBSA-N 456.999 5.151 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(c2cccc(Cl)c2)CCOCC1 501769713 PFVRDQFKQGAJGI-UHFFFAOYSA-N 466.778 5.505 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1C 502243807 AJTJRUPLFPOPMD-UHFFFAOYSA-N 474.992 5.469 30 20 JKED Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cccc(OCc2ccccc2C#N)c1 502693846 YJBVQVYBCMEXDJ-UHFFFAOYSA-N 458.468 5.221 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)s2)cc1 503259174 JGZSKTFMYQJDHR-FQEVSTJZSA-N 458.572 5.008 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 505697892 OIDDFBYDJYPPSM-JOCHJYFZSA-N 479.945 5.454 30 20 JKED Cc1nc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)sc1SCC#N 508981559 PEPFKMQUTSBUDW-HJNYFJLDSA-N 490.654 5.632 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2c(Cl)cccc2Cl)c1 509407065 YYLSTGIPKKFTHD-UHFFFAOYSA-N 484.408 5.568 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1Cl 510024799 WEBLFICXSQBUNA-QFIPXVFZSA-N 462.937 5.015 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)cc1 511337191 FYJLDXYGDMZMAN-XMMPIXPASA-N 498.583 5.055 30 20 JKED COc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 511657091 PPUIMOPBEQUBSU-KRWDZBQOSA-N 455.829 5.183 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(COc2ccc(F)cc2)n1 512049810 QMZRJVYFKWDMHH-UHFFFAOYSA-N 452.580 5.522 30 20 JKED COc1ccc(-c2noc(CCCC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)n2)cc1 512292328 AVSJLIIMKOXCLZ-UHFFFAOYSA-N 484.531 5.621 30 20 JKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c12 512334856 ZVRJLYBIUGXKJJ-UHFFFAOYSA-N 453.521 5.008 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)n2)cc1 512497987 DXKLTUHBEULJHI-OAQYLSRUSA-N 485.540 6.009 30 20 JKED CCc1cc(C#N)c(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)s1 515722592 CVNFMYRCJHUNFL-UHFFFAOYSA-N 468.376 5.378 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(F)cc1 517465720 DFOVJRWWEMYOGF-IBGZPJMESA-N 481.515 5.692 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1ccccc1Br 518673276 WUAOGCGTIBDICV-IAGOWNOFSA-N 488.451 5.639 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 519126668 IGKGFLPMBQJRCH-QHCPKHFHSA-N 479.989 5.494 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CCOCC2)cc1 519198981 HPXWEPKWUCENSM-UHFFFAOYSA-N 471.557 5.619 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 519424945 MTFWYPGKHXPXPI-SLFFLAALSA-N 465.619 5.359 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 519869541 CEULIEFMMUAHQI-UHFFFAOYSA-N 464.997 5.836 30 20 JKED N#C[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccc(OCc2ccccc2)cc1 520536792 UTQZJNTWVLCZKX-VWLOTQADSA-N 466.541 5.004 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)CC2)cc1 521977569 BEBWALQDACBKLN-HHHXNRCGSA-N 474.555 5.038 30 20 JKED Cc1ccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)n(-c3ccccc3)n2)cc1 522120898 SJSBBZPIYMKJLX-UHFFFAOYSA-N 484.581 5.178 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](CC(C)C)c1cccs1 524425795 AXVTVARVOSZIRR-HSZRJFAPSA-N 461.587 5.349 30 20 JKED C=CCN(CC(=O)Nc1c(Br)cc(C)cc1Br)Cc1ccccc1F 551595437 BDMAGKKFANPUBD-UHFFFAOYSA-N 470.180 5.286 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N(CC(C)C)c3ccc(C#N)cc3)nc(O)c2c1C 603529171 WXJQCDZVVSUXQQ-INIZCTEOSA-N 454.621 5.196 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 603601175 SSXFIDPMTWAGOQ-UHFFFAOYSA-N 458.905 5.934 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c12 603739833 JWMVQDURMFVXPA-UHFFFAOYSA-N 466.545 5.683 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c1C 603895901 IXDUQCMZXZLEAG-UHFFFAOYSA-N 470.573 6.092 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NC(c3ccccc3)c3ccccc3)c2)cc1 604129968 INWLDNCKAUOILB-UHFFFAOYSA-N 475.548 5.176 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 604139825 YHSLIBIGUSYPOQ-GGAORHGYSA-N 466.368 5.855 30 20 JKED CCOc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609088761 JMQLBENWKNCISQ-QGZVFWFLSA-N 477.948 5.005 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cc3csc(Cc4ccccc4)n3)cc2F)c1 609104988 RVVHPWNHCLMSGT-UHFFFAOYSA-N 457.530 5.505 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1Cl 609163955 DOSLUENTNMFLLY-KNQAVFIVSA-N 490.966 6.017 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1-c1ccccc1C(F)(F)F 609376523 CIVQRXJXDVJFGR-CQSZACIVSA-N 472.492 5.064 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 609435717 HUGBINBJJYEXIA-GAJHUEQPSA-N 463.990 5.579 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccco3)cs2)nnc1-c1ccc(Cl)cc1 611865292 JADIYPMEURYKLB-UHFFFAOYSA-N 457.968 5.232 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)nnc1-c1ccoc1C 613908706 YLQMLGNZDYSLMW-UHFFFAOYSA-N 450.608 5.439 30 20 JKED O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618904037 UPKYAROJMQLVON-QWRGUYRKSA-N 474.327 5.486 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc12 642281929 ZFTGTWURMWZJBC-AWEZNQCLSA-N 452.333 5.553 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1ccc(Cl)cc1 726319908 PSAGYVBFWCCZNV-QGZVFWFLSA-N 463.868 5.372 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1F 726413634 ZCFZPUFBQZRYPH-HXOBKFHXSA-N 492.576 5.259 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CC1)c1cccs1 726419738 GRISQUVAPPVMIX-FSBMJYCTSA-N 468.431 5.607 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1OC 726541107 WNZMKUFKWVFNML-HEFNWKINSA-N 479.964 5.383 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OC)cc2OC)cc1 726571307 RXINGKLFFYCNQX-UHFFFAOYSA-O 480.997 5.402 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(N3CCCC3=O)c2)cc1 726571608 ZCMNQEVGXBHNOB-UHFFFAOYSA-O 490.008 5.258 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ccc(OCC(F)(F)F)cc2)cs1 727262123 KXLBHRXJUGJHCT-UHFFFAOYSA-N 468.888 5.868 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cs1 728110188 WEHDIJSRWRIRQC-UHFFFAOYSA-N 491.500 5.367 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 730953462 HEDUEMRHZLJEEY-FPOVZHCZSA-N 492.670 5.712 30 20 JKED Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)cc1F 730994677 LQBIDWOQFMLCGQ-AWEZNQCLSA-N 465.472 5.150 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc(C)on2)cc1 731305787 PHODNDHTRSBTGU-HSZRJFAPSA-N 492.601 5.192 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(OC(F)F)cc1 731308192 YBXDHTBSIFSGOD-LJQANCHMSA-N 477.533 5.144 30 20 JKED C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2Cl)C1 731332364 JTRVREZMWCQGPD-IAGOWNOFSA-N 492.066 5.407 30 20 JKED COc1cccc([C@H]2NC(=O)N(Cc3cccs3)C(c3ccc(C)cc3)=C2C(C)=O)c1OC 732046970 RXSBNIUEVMQQHM-HSZRJFAPSA-N 462.571 5.341 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cs1)c1ccc(F)cc1F 745998638 OGISZLVVKKLCQV-DAXSKMNVSA-N 453.297 6.309 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 746697410 DUYHCORFZVQJGX-QFIPXVFZSA-N 471.598 5.220 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCOC(C)(C)C)C1=O 746697801 MKYHMIWLQYBGBD-HXUWFJFHSA-N 490.025 5.124 30 20 JKED CCOc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 748584282 ONRXPIBQTRAXNN-VMPITWQZSA-N 495.167 5.463 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1 750394551 HZXFJOLBSWJKAL-CRAIPNDOSA-N 498.008 5.018 30 20 JKED CCOc1c(OC)cc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc1OC 750904913 YXLIBXBYMSIEAQ-STZFKDTASA-N 493.987 6.278 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc3c(c2)CCO3)C1=O)Nc1ccccc1F 750917007 QULDORQZVCEKCM-QHCPKHFHSA-N 493.535 5.060 30 20 JKED C[C@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cn1 779186778 JJEVSXJORAGPBQ-HNNXBMFYSA-N 451.935 5.083 30 20 JKED N#C[C@H](C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1)c1nc(-c2ccccc2)cs1 807962269 UBOGOFXVTNLJQK-HXUWFJFHSA-N 486.622 5.604 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)c(OC)c1 837301948 MXLRBCHHXXRUAA-OAQYLSRUSA-N 499.589 5.065 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 837543300 RTBDIQOLJQEHPP-YCRPNKLZSA-N 466.513 5.081 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4ccccc4cc3NC(=O)C3CC3)s2)cc1 875070554 CEDXSCFZXWSQMA-UHFFFAOYSA-N 452.539 5.360 30 20 JKED C[C@H](OC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)C(=O)NC1(C#N)CCCCC1 899999091 JUNJHLOEAWPDQZ-KRWDZBQOSA-N 461.493 5.036 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)OCC(=O)N(CCC#N)c4ccc(C)c(C)c4)cc3)o2)c1 904174794 JIKNJSGQIOJLKL-UHFFFAOYSA-N 494.551 5.433 30 20 JKED N#Cc1ccc(N2C[C@@H](c3nc(-c4ccc(OCc5ccccc5)cc4)no3)CC2=O)cc1Cl 904423750 PWTFDDRILOSEPI-FQEVSTJZSA-N 470.916 5.361 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1ccc(-n2cccn2)cc1 912851813 IRJJBWHHQHEDCV-DEOSSOPVSA-N 472.545 5.340 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2ccc(C)o2)C1=O 915112331 XGQWICAIWZTNGS-QFIPXVFZSA-N 498.004 5.453 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OCc2ccncc2)cc1 915943755 AYHNLYTXBFQENU-UHFFFAOYSA-N 451.555 5.167 30 20 JKED CC(=O)Nc1ccc(/C=C2/CN(CCc3ccccc3)C/C(=C/c3ccc(NC(C)=O)cc3)C2=O)cc1 915990702 VXPAUMRHAAVIKI-XROAYDFBSA-N 493.607 5.198 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)OCC)cc2)nnc1-c1ccc(Cl)cc1 916069218 MYRBKISFYVQWHB-UHFFFAOYSA-N 471.970 5.084 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc(Br)c1O 916127683 DWLLKGZKMRWHLA-JYRVWZFOSA-N 496.357 5.467 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 916208913 AFBVYOAQUVKMPP-FQEVSTJZSA-N 468.941 5.035 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916212004 SUFVWTLLBPUHET-MOPGFXCFSA-N 478.401 5.133 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2C)cc1 916216319 SNYFHASFOBLMCY-XMMPIXPASA-N 489.597 5.173 30 20 JKED CCOc1c(Br)cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cc1OC 916272842 KUFUNDUDXDXTAX-UHFFFAOYSA-N 490.423 5.087 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cs1 916546017 BBYKSMZTZKYBLD-UHFFFAOYSA-N 468.995 5.247 30 20 JKED N#C[C@@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 916846164 JBQRCJJKRFLSKK-KRWDZBQOSA-N 458.543 5.130 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916888338 VZOJETRKWMTFCO-SFHVURJKSA-N 486.569 5.244 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)c1 916893986 ISONPWLSXGEHJO-LJQANCHMSA-N 464.934 5.019 30 20 JKED N#C[C@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 916908236 GELAPNYESHWETM-AUSIDOKSSA-N 469.393 6.164 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 916915090 CNEKLPFNPVZZAK-VWLOTQADSA-N 482.609 5.930 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 916926238 WHBALNCTWYZZHT-MRXNPFEDSA-N 473.476 5.497 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 916946166 MNQZNYJAASOABT-KRWDZBQOSA-N 459.285 5.135 30 20 JKED Cc1ccccc1[C@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(N)=O 916997317 VLIRCEZAGZQEOZ-AEFFLSMTSA-N 473.385 5.401 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1 917035028 AOZPNNKAGNGJTN-XMMPIXPASA-N 487.506 5.080 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1 917424622 OWJOQHRGFPITCK-QGZVFWFLSA-N 469.925 5.371 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@@H]2c2cccc(F)c2)c1=S 917486646 LZQWOIHGEUBVHJ-DENIHFKCSA-N 452.555 5.046 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccc(Br)cc2)c1=S 917487517 RYHNDOOMZUJRCX-IBGZPJMESA-N 456.413 5.219 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C(F)(F)F)c1 917655603 OGFPJSMHOBDRON-FQEVSTJZSA-N 493.551 5.319 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2c[nH]c3cc(Cl)ccc23)cs1)c1ccc(F)cc1F 920068098 IIPZIURKZGXBGX-DAXSKMNVSA-N 457.889 6.137 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)n2)cc1 920142493 KNBBGJUTFZKMMZ-SLFFLAALSA-N 471.607 6.355 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(CC(F)(F)F)C2=O)c1 920176884 VZDLCPQRPNFDOZ-HXUWFJFHSA-N 475.536 5.315 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1c(C)noc1C 920352611 QTZIGUAZVOPVHK-OAQYLSRUSA-N 480.565 5.208 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc3ccccc23)no1 920352976 WSQOHAAILYWYMN-HSZRJFAPSA-N 488.544 5.436 30 20 JKED N#C[C@H](C(=O)c1ccc(CN2CCCCC2=O)cc1)c1nc(-c2c(F)cccc2F)cs1 920805967 HOMIDKGTPWFJSI-QGZVFWFLSA-N 451.498 5.091 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)cc1C 920839405 OYJIAPZHUYOHDN-QGZVFWFLSA-N 463.488 5.743 30 20 JKED C=CCN(C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 921193499 SBBLUHYTUNBTQW-UHFFFAOYSA-N 483.640 6.420 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4cc(OC)ccc34)cc2)CCC1 1786171722 WXKKPPXZLGDSLJ-UHFFFAOYSA-N 467.516 5.065 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CC[C@@]3(F)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786282468 JYLNHICMCXUPCO-MHZLTWQESA-N 499.627 5.053 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCCC(F)(F)F)cc2)CCC1 1786620488 RXEFLGSVEYHCMI-LJQANCHMSA-N 497.558 5.323 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)cc(Cl)c4[nH]3)CCC2)cc1 1787648531 FXCWPEWUBSTJGL-UHFFFAOYSA-N 485.769 5.245 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)F)no4)cc3)CCC2)cc1C#N 1788310196 BCYDHUUSKKBVLU-UHFFFAOYSA-N 494.498 5.333 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)CCC1 1788678429 LGZUXZCBJQZLIL-AREMUKBSSA-N 473.617 5.039 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cccnc45)cc3)CCC2)cc1 1788912971 AZIBYWPEWPJMHA-UHFFFAOYSA-N 460.537 5.362 30 20 JKED CN(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)c2ccccc12 1788990794 HGGVEXKSJUOUPM-ZCTHSVRISA-N 494.595 5.366 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)cc2)CCC1 1789191511 KXHZCRCZKIDPDZ-KFXWPXIRSA-N 461.606 5.439 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cccnc5n4)cc3)CCC2)c1Cl 1789245059 DOINBLSRPKYXKK-UHFFFAOYSA-N 481.943 5.216 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)cc3)CCC2)c1 1789531439 DWNDEGCDMDRGGH-DSNGMDLFSA-N 465.578 5.194 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnccc3OCc3ccc(OC)cc3)cc2)CCC1 1790042336 XIQIMQYYXFGQQX-UHFFFAOYSA-N 497.595 5.220 30 20 JKED Cn1ncc2c(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5Cl)cc4)CCC3)cccc21 1790083907 PSAZDKNXQIFFIA-UHFFFAOYSA-N 483.959 5.160 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)ccc4C(F)(F)F)CCC3)cc2)c1 1790148167 CCLCBUVSWJAXHQ-UHFFFAOYSA-N 470.426 5.106 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)cc3C(F)(F)F)CCC2)cc1 1790513600 FVGKUFMYHNJIRL-UHFFFAOYSA-N 492.469 5.102 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)cc3F)CCC2)cc1 1790567148 HZUSNMWATQOYNN-CQSZACIVSA-N 463.912 5.167 30 20 JKED COc1ccc2[nH]cc(/C=C/C(=O)NC3(c4ccc(NC(=O)[C@H](C)ON=C(C)C)cc4)CCC3)c2c1 1790568105 RVPKOFJPTQBKOW-HBYKMFCXSA-N 488.588 5.125 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(F)c(F)ccc4c3)CCC2)cc1 1790568490 ZIRJJJXJNUSQJH-MRXNPFEDSA-N 480.515 5.062 30 20 JKED O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1 1790650944 LISZSYQODJJJLH-UHFFFAOYSA-N 462.365 5.545 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791585463 KKOCMSYVTQGZQR-NDEPHWFRSA-N 495.664 5.351 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4cc[nH]c34)CCC2)cc1 1791587770 LFGCRVNINLOSOE-UHFFFAOYSA-N 452.352 5.254 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791593424 QMWNQSYKBRQYEN-OAQYLSRUSA-N 481.637 5.124 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)CCn3nc(C)cc3C)cc2)CCC1)c1ccccc1 1791783130 MHTRDZQGZYNFLA-HHHXNRCGSA-N 482.628 5.221 30 20 JKED CC(C)N[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1)C(C)C 1792122277 ILUDXMAQZNBMSM-NLFFAJNJSA-N 460.622 5.084 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)NC(=O)CC5)CCC3)cc2)c1 1792126973 PGLQEGGHGZTXDF-LJQANCHMSA-N 492.579 5.260 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c4CCCC5)CCC3)cc2)cc1C#N 1792168684 SSNPUYVBHMTPJH-UHFFFAOYSA-N 497.599 5.009 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C)C2 1792567970 YVCFHKXWHSQRFO-BJESRGMDSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)c(F)cc3nc1Cl)C2 1792572669 ARRCFKFIEYBLMH-BJWYYQGGSA-N 475.967 5.411 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1798333570 BQZNXAAUXGLIFD-CIAFKFPVSA-N 473.642 5.917 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4cccc(Cl)c4)CCCC2)C3)cc1 1800545289 SIKRZMLJSJNYTR-QEIWAGNOSA-N 476.020 5.170 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccccc2c1Br 1801097956 FJBQNQDGAJTVJF-OQIJWPOYSA-N 455.396 5.066 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1802492406 NBPQSEAUZOVKAF-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1802503433 TXQYSCZWARBDOW-ZEQKJWHPSA-N 488.632 5.052 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1Cl 1802732854 WCTKFIHUJKJGSD-HYBUGGRVSA-N 493.394 5.202 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4CCc5cccc(Cl)c54)CC3)C2)cc1 1804762318 MFVIBCWAWBPNDY-XMMPIXPASA-N 490.047 5.105 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)C1 1805457184 WWVBFIQYEBQGNZ-RPWUZVMVSA-N 455.042 5.443 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N1CCC2(CCCN(C(=O)[C@H](S)C(C)C)C2)CC1 1806067642 ZCMATNIRURPGJR-RUZDIDTESA-N 496.758 5.246 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)C2)CC1 1806757436 SCQMMGJEEWYVRP-GOTSBHOMSA-N 489.701 5.070 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(C(C)(C)C)c3)C2)CC1)c1ccc(O)cc1 1807457030 HLRVSVOBMKAKFG-HSZRJFAPSA-N 489.660 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1809754684 DKHVJYFOIXSAID-PWHSHALESA-N 465.644 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1810171509 FZPYJNDIWSBPKZ-YYDVJCTNSA-N 465.644 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1810175111 WNYJFESLRMCEPA-OASJLCFRSA-N 453.586 5.323 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC3(CCN(C(=O)Cc4ccc(C#N)cc4)CC3)C2)c1 1810355890 PZQOFBSHPGEDSL-UHFFFAOYSA-N 492.623 5.016 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1810414774 UTIHZAZGUKCUKQ-ATIYNZHBSA-N 493.623 5.322 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccs2)[C@@H]1c1cccnc1)c1ccccc1 1810443602 HYGDMSKKJAZYHT-SKTZKVMUSA-N 483.637 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1810494108 CSOPZXVAFKWKCE-WZONZLPQSA-N 497.064 5.657 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1810502630 KVDOFCQDYIXMLF-DYESRHJHSA-N 490.431 5.406 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2sccc2Cl)[C@H]1c1cccnc1 1811095779 AHBYZVDQSCWUDI-SIKLNZKXSA-N 488.129 5.167 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812515679 DQKJOIRDMVIBOU-LVXARBLLSA-N 486.443 5.221 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1812935493 PLFHLFBNFCAXJH-AJTFRIOCSA-N 490.623 5.333 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1814182084 GUWUHOSNRXASQI-GXBVYBDKSA-N 479.624 5.088 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)[nH]n1 1814441769 SDYSJPUFODRGQJ-IBGZPJMESA-N 474.646 5.152 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)[nH]n1 1815212965 LYYVUGFGRFGTNZ-DYESRHJHSA-N 492.542 5.035 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)[nH]n1 1819307186 BTPXPLOTBWDDIH-PXNSSMCTSA-N 497.596 5.424 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)CC1 1819385367 SSIQMTQYQCQFJO-UNMCSNQZSA-N 454.691 5.199 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2Cl)n[nH]1 1820188125 XFGDICSAWIYAMO-MRXNPFEDSA-N 488.869 5.182 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1 1820548927 KYPFDEGWRWZXJD-KRWDZBQOSA-N 498.406 5.034 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821047558 NSGAIGWFYWBNTB-VWLOTQADSA-N 488.588 5.491 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821204453 OICMDKUCYXHIRF-GOSISDBHSA-N 465.356 5.355 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)cc2s1 1821438509 RTOQTFCBVQQTLI-JOCHJYFZSA-N 486.601 5.071 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)[nH]n1 1822583263 KXNGGBOSOIPPQI-URVUXULASA-N 497.437 5.162 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)ccc2s1 1823215025 LUOSPFSZJLTWRE-HJPURHCSSA-N 498.612 5.575 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823683069 ILFLFCIQFXTRNH-AREMUKBSSA-N 499.611 5.185 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 1823704534 KQKMTTQWZUQJJB-FQEVSTJZSA-N 469.840 5.846 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1824055686 BMRQRGLEXOJHGD-VWLOTQADSA-N 481.999 5.217 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1824142505 UQOBIXNXRUXKAP-VWLOTQADSA-N 451.586 5.309 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2Cl)N(C)C)CC1 1824145158 UNPRGLHBJRNOSP-UIOOFZCWSA-N 486.100 5.331 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1 1824540607 LNOFSRHSHLPDRA-XZPFSAAZSA-N 460.709 5.175 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c1 1825034862 OUZVXYONGNHTSW-WZONZLPQSA-N 484.065 5.505 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2coc(C(C)C)n2)CC1)c1ccccc1 1825419124 MYOPRXGFOBXSBN-RSXGOPAZSA-N 475.633 5.229 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1827356397 VVYUIRMAZQOAMZ-UQBPGWFLSA-N 481.587 5.472 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828163344 DONXHMWHUVKAQC-JOCHJYFZSA-N 472.054 5.041 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccn(C)c34)CC2)c1 1828274361 HMNCEHZEIARHFF-KDYSTLNUSA-N 482.628 5.352 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828320753 WWHLNQBGQISCNG-IBGZPJMESA-N 458.027 5.338 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CC1 1828351373 FPBZNACXLMANNF-HYBUGGRVSA-N 498.465 5.300 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828602106 QPJWLWPZLCFZHE-HXUWFJFHSA-N 460.640 5.193 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1828822100 WPXLHRZNSHWCCZ-XTEPFMGCSA-N 489.660 5.692 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 1828822292 HVBAHOZFPVNWEM-UNMCSNQZSA-N 493.570 5.024 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 1828829086 AAQHLVLAMQSVIZ-BJKOFHAPSA-N 473.057 5.279 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1829457598 RKMAKSVIGBBIND-QHCPKHFHSA-N 499.442 5.126 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(ccc5ncccc54)s3)CC2)CCC1 1829580327 XZDFKMIASUQSHF-QHCPKHFHSA-N 486.641 5.377 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829658444 LDFRQASSBJVGLA-LJQANCHMSA-N 490.925 5.386 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cn1 1829686159 WTXFGFFYYJHXMM-HSZRJFAPSA-N 493.051 5.451 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829904045 NVAAZKSNSIJIAC-XMMPIXPASA-N 459.590 5.262 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)CC1 1830115550 VVWYWNHRBWQWRO-FYYLOGMGSA-N 459.030 5.350 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)CC2)c1Cl 1830189842 OOCHALAQWTTXGM-VWLOTQADSA-N 489.019 5.169 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)c1 1830356894 SPEORKBADRXIQM-BZDILZQOSA-N 461.650 5.683 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830486230 MMQGCNIQUPVXOR-HSZRJFAPSA-N 471.935 5.037 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)c(C#N)c1 1831566031 RASWBPKHEVBQJN-HPJWIMSGSA-N 493.692 5.191 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1831846960 PANVSZOOCAEIGB-NRFANRHFSA-N 499.866 5.449 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1832029791 PRKVNCOTYMMJTR-JOCHJYFZSA-N 485.625 5.054 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccoc3)CC2)cc(C(F)(F)F)c1 1832350180 WFYZHIFXOHYANQ-HSZRJFAPSA-N 487.522 5.036 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1832629652 UWGWMGSLCOATLR-WXVAWEFUSA-N 487.644 5.107 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1 1832632467 RPJPRDRCFWAGNU-VGSWGCGISA-N 486.538 5.208 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1F 1832634012 QLYJBRSHQQCQMP-RXFWQSSRSA-N 461.581 5.308 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)ccnc3Cl)CC2)c1 1832634060 HNDDUUWKNGZUPP-HTAPYJJXSA-N 482.987 5.048 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cccc1C(F)(F)F 1832700360 YCYWFYDCZDXWBL-NHCUHLMSSA-N 470.601 5.202 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)CC1 1832722626 VAAMBMZWEZFWDZ-IBGZPJMESA-N 499.902 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)CC1 1835683162 PTXYTNRCYMROOQ-MUUNZHRXSA-N 499.699 5.616 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)CC1 1838221328 VIGGLXPQZKZMLN-UHFFFAOYSA-N 486.056 5.426 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CSc3c(C)cccc3C)CC2)CC1 1838371292 DUZFYHZIWBZEHT-RUZDIDTESA-N 484.706 5.163 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccccc2Cl)cc1 8752793 JNNCNETYAXINIK-FYSMJZIKSA-N 484.025 5.131 30 20 JKED C[C@@H](Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)C(=O)Nc1ccccc1C#N 10095251 FRHGRRXMTIWYDG-LLVKDONJSA-N 465.482 5.171 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C)cc2C)cc1 10169007 BOILPABAJLXPOL-UHFFFAOYSA-O 465.708 7.224 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(CO)c1)c1ccc2c(c1)CCC2 10172421 FNSKBNBXWXEJCN-UHFFFAOYSA-O 495.624 5.798 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccccc2)c1C 10179465 VUAOGYZFIPYFNF-UHFFFAOYSA-O 491.420 5.453 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccccc1)c1ccc(-c2ccccc2)cc1 10755128 REENQFNDWSWAAC-UHFFFAOYSA-O 461.969 6.485 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(SC(F)F)cc1 11113808 KNVPFKHYLMGTHE-UHFFFAOYSA-O 471.618 6.519 30 20 JKED COc1cc(/C=C2\Cc3c(O)cccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 11336049 PIAYVINFUQIKAV-LFIBNONCSA-N 483.442 5.260 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(NCCc3ccccc3)s2)ccc1Cl 11394618 FZRFISGPFURQJF-UHFFFAOYSA-N 472.039 5.194 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3sc4ccccc4n23)n(Cc2ccccc2)c1C 16628399 NLYRLBWOZTZPSA-UHFFFAOYSA-N 472.599 5.013 30 20 JKED N#Cc1cc(C#N)c(S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nc1N 21424782 DINSYMRRFDVJPG-GOSISDBHSA-N 454.342 5.186 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nnc1-c1ccoc1C 21925011 LAJMMXKJIYFBJE-UHFFFAOYSA-N 456.877 5.436 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1 23874573 QWCVXAXUBKMLGS-DWXRJYCRSA-N 477.586 5.131 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccc(F)cc1 24014870 ALFRHUHWQXKOIJ-JKSUJKDBSA-N 450.539 5.374 30 20 JKED COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OCc1cccnc1 58779786 NMTTYYODHAYIIC-UHFFFAOYSA-N 467.550 5.944 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCCc2cccs2)nc2scc(-c3ccccc3)c2c1=O 69873007 RNBNJHQJUZLPRH-MRXNPFEDSA-N 481.668 5.212 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3ccccc3SCCC#N)c3cnn(C(C)C)c3n2)s1 78668682 WYFCALSIGSQAIY-UHFFFAOYSA-N 461.616 6.307 30 20 JKED CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 103365868 LHLAOELFURKLCK-UHFFFAOYSA-N 494.335 5.502 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nc2sccc2c1=O 104599269 YEZOHLWEENZFBR-UHFFFAOYSA-N 482.656 5.694 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 104861675 HVOQVFZLPMOANH-UHFFFAOYSA-N 464.949 5.887 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3csc(-c4ccccc4F)n3)nc2C)n[nH]c1=S 109106458 IZNMGBINYAEQHM-UHFFFAOYSA-N 458.569 5.074 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1C 109623965 LWNLILQLNARMRX-UHFFFAOYSA-N 472.536 5.768 30 20 JKED C=CCc1cc(C(=O)N(CCC)CC(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1OC 247969179 CRVYEUYLOSKORY-UHFFFAOYSA-N 465.377 5.230 30 20 JKED C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 248221298 HXWLKAXCQLXHML-OYWAOYQPSA-N 472.710 6.062 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 303018816 SXPIRJHYYQQQSN-UHFFFAOYSA-N 454.486 5.449 30 20 JKED C=CCn1c(Sc2nc(COC)nc3scc(-c4ccccc4)c23)nnc1-c1cccnc1 498680586 BLCZXVRJKLEKAG-UHFFFAOYSA-N 472.599 5.495 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccccc2CN2CCc3cc(OC)c(OC)cc3C2)cc1OC 499240840 DLQNARBVVDLYQS-UHFFFAOYSA-N 488.584 5.088 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 500986152 TWHZHVMQIMCOJI-HSZRJFAPSA-N 465.022 5.214 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccc2c(c1)CCC(=O)N2 501143696 OXYGEENPJALYFR-UHFFFAOYSA-N 471.532 5.283 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)CC2)c1 502243490 NTSNFMKDCFIPQG-FCHUYYIVSA-N 470.598 5.095 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc1Cl 502978887 CBDQMKRPZDKKKZ-AZGAKELHSA-N 474.992 5.190 30 20 JKED COc1ccc(C2(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CCOCC2)cc1 508276985 YBTUHSWNUYFTPV-UHFFFAOYSA-N 487.556 5.238 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 509079031 GXPXGQMADJHUCT-UHFFFAOYSA-N 489.487 5.412 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 510010264 PJLOQWZQHZUGEB-GOSISDBHSA-N 487.774 6.062 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1Cl 510025414 DFUNFHULFYFXRA-QHCPKHFHSA-N 493.394 5.639 30 20 JKED C=CCOc1cccc(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 510066468 QVAILGROZUDYPG-UHFFFAOYSA-N 463.584 5.501 30 20 JKED COc1cc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OCC(F)(F)F 511512892 MSPNOTNBDNLZOQ-UHFFFAOYSA-N 498.461 5.082 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511594108 BISYIVRYSJBIOT-UHFFFAOYSA-N 479.584 5.818 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)c1ccccc1 512248741 IQIKGKOKUAPTJH-UHFFFAOYSA-N 451.309 5.627 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc(O)c2c3c(sc2n1)CCCC3 513677177 RQQDLDNHMUKWPN-ZDUSSCGKSA-N 488.619 6.104 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(Cc2ccc(F)cc2)nc1C 514559555 RUPPWEBOZODJNE-UHFFFAOYSA-N 458.518 5.801 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCC(=O)N1CCCCC1 515547389 UYVOCWKNQVINOL-SFHVURJKSA-N 498.004 5.230 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc2c(cc1Br)OCO2 518147726 RQUFFDCHASPQJC-CYBMUJFWSA-N 479.421 5.301 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)sc2nc3n(c(=O)c12)CCCCC3 518871066 SRPGQPMQJAMNCC-ZDUSSCGKSA-N 496.564 5.385 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1nc2ccccc2n1C(F)F 519251232 GCXSVVKUNNKMMT-LJQANCHMSA-N 496.473 5.908 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 519376868 RGDZXBKTURNMPT-UHFFFAOYSA-N 455.352 5.195 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 519424946 MTFWYPGKHXPXPI-VAMGGRTRSA-N 465.619 5.359 30 20 JKED Cc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1NC(=O)c1ccccc1I 519948249 CZRWMMBWDKREJM-UHFFFAOYSA-N 496.308 5.368 30 20 JKED Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2ccccc2SCCC#N)s1 520845766 WHLJQFIYEYXBJC-UHFFFAOYSA-N 463.628 5.272 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OC1CCCC1 520855562 RXVCNSNMNHSHRH-MSOLQXFVSA-N 453.608 6.151 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(CCC#N)Cc1cccnc1 523324614 SOFDIVGFGAZOOV-QGZVFWFLSA-N 489.626 5.023 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)sc2nc3n(c(=O)c12)CCC3 524708130 XRHOOZNEMQJMMH-GOSISDBHSA-N 474.973 5.274 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 588349126 XNNGYSYQHNMRCN-KRWDZBQOSA-N 467.428 5.849 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 589725855 VFACSTBHBPWUQK-XMMPIXPASA-N 493.007 5.134 30 20 JKED N#CCCn1cc(C(=O)CN2C(=O)[C@@H](c3cccs3)N(Cc3ccccc3)C2=O)c2ccccc21 590414474 QLFGMVUVPQLYBW-RUZDIDTESA-N 482.565 5.005 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 593021750 UHBCXJCMQXOEIK-QWRGUYRKSA-N 475.311 5.395 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nc(-c2ccccc2)c(C)s1 603615667 OEPFEADYYUUHBI-UHFFFAOYSA-N 472.364 5.169 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12 603897416 GHYPUICCXGLYEV-UHFFFAOYSA-N 452.392 5.263 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccc(F)c(Br)c3)c2)cc1 603962645 NNZOVDFNISIBSP-UHFFFAOYSA-N 453.311 5.414 30 20 JKED N#Cc1ccc(CSCC(=O)N(Cc2cccnc2)c2ccc(Br)cc2)cc1 603990398 TXKAZEZYAWFFIS-UHFFFAOYSA-N 452.377 5.182 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCC(c3ccccc3)c3ccccc3)cn2)c1 604131056 XSRRGSJVNINHGW-UHFFFAOYSA-N 476.536 5.022 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccccc32)cc1Cl 604131521 FCAQEIRBDMSTDS-IFMALSPDSA-N 461.974 5.287 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)cn2)c1 604428963 XYXIHYWLNKZYCM-OAQYLSRUSA-N 479.334 5.113 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc(OCC(F)F)c2)cc1 608840629 CDSQIBVIMKNMEO-UHFFFAOYSA-N 453.445 5.325 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)cc2)cc1 608841062 LJCNNPVKIRKTDO-FQEVSTJZSA-N 483.503 5.951 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3oc4ccccc4c3CSc3ccccc3F)CC2)nc1 608950185 QOZJTWZKQXUSGP-UHFFFAOYSA-N 486.572 5.530 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc(OC)c1OC 609008141 PRHITHNZVRWPDN-INIZCTEOSA-N 487.375 5.198 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 609061577 DXRARGUNBUVWFI-UHFFFAOYSA-N 467.550 6.012 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 609061936 LCUASKQXRGSVQY-UHFFFAOYSA-N 490.972 5.880 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 609376000 XKXIYTYCJHNXFQ-QHCPKHFHSA-N 486.374 5.754 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 609376814 JZUCXTTUHBZPCY-OAHLLOKOSA-N 463.563 5.639 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)cc2)c1 609426917 ZJXDZFCOHGFNAT-QFIPXVFZSA-N 477.467 5.195 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609439223 JGQOFAHMRLFWJS-UHFFFAOYSA-N 461.521 5.615 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1C 612941763 RWHMCLDKIKZVEQ-LJQANCHMSA-N 488.034 5.293 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCC2)nnc1-c1ccc(OC)cc1 613933298 QIICASRCIMZJRH-XMMPIXPASA-N 462.619 5.280 30 20 JKED C=CCn1c(SCc2csc(-c3ncccn3)n2)nnc1-c1ccc(Br)cc1 613939309 LXGJSHOCPJRHJO-UHFFFAOYSA-N 471.409 5.099 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 615845362 IAZPXYNJTQROCN-YRVYGCIDSA-N 456.402 5.255 30 20 JKED O=C(CN1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H](c1ccc(F)cc1)c1cccs1 618450379 MFLRKAFKIXGMOZ-IYOUNJFTSA-N 468.438 5.156 30 20 JKED O=C(NCCc1ccc(C(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642343698 SOEDXTCGVGMHLD-WDNDVIMCSA-N 450.345 5.457 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C)CCCc2cc(-c3ccc(F)cc3)no2)c1=S 725787751 XJGUHWMRPMOHST-UHFFFAOYSA-N 481.572 5.722 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](c2ccccc2)C2CC2)cn1 726114774 YXKDNJQVPVRNPK-UPVQGACJSA-N 491.592 5.154 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C#N)c(Cl)c1 726408961 JZPBPUVIMMDXLA-JTHBVZDNSA-N 481.021 5.209 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2ccccc2Cl)n1 727627615 OFBRGTZCBCFLDK-CQSZACIVSA-N 450.734 5.731 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc2ccccc12 728776107 IITFFJTVQKUEST-QHCPKHFHSA-N 474.561 5.633 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(CCCCC#N)C2=O)c1 728780372 RWRAYEJOJJSSQI-DEOSSOPVSA-N 476.646 6.081 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ncccc3C)C2=O)cc1 729634515 NJBGXZZGMYXHHN-JOCHJYFZSA-N 480.540 5.137 30 20 JKED COc1cc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OCC(=O)O 730436740 LTKKNLIJFQXCKH-NSCUHMNNSA-N 493.312 5.001 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 730442379 UVMHIVBQSOCKKJ-VWLOTQADSA-N 498.608 5.648 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O)NCc1ccccc1 730459028 FGFXMJKVTGHWJM-LJQANCHMSA-N 475.586 5.192 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 730683716 JSUWYCASDXTEBB-WZONZLPQSA-N 466.566 5.281 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1F 730691062 DZQJCVGYNYSZHB-QGZVFWFLSA-N 462.506 5.658 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3cccnc3)C2=O)cc1 730942679 UUPSLLDYGLSIAU-SBUREZEXSA-N 492.576 5.341 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCOCC3CC3)C2=O)c1 730943964 OMTWQROBVFZBNF-QFIPXVFZSA-N 486.037 5.344 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccnc1Sc1ccccc1 731061221 QSBFVHQCYGMBFJ-QGZVFWFLSA-N 463.584 5.423 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sccc1-c1ccc(F)cc1 731079516 XKPMTCBSFOYDKD-OAHLLOKOSA-N 454.548 5.601 30 20 JKED COc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)ccc1C 731307197 QIHGEKKDZLZIPJ-HSZRJFAPSA-N 493.560 5.009 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)s1 731310570 KQUKHYMRIUUNEB-OAQYLSRUSA-N 483.590 5.316 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cc3ccccc3o2)C1=O)Nc1cccc(O)c1 731310927 SRZWOLPJUWSJPM-HSZRJFAPSA-N 489.528 5.438 30 20 JKED C=CCN(CCc1ccccc1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1=S 744153887 OOLXHERFFYPAIM-QFIPXVFZSA-N 473.646 5.430 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(C)cc(C)c1 746697896 PFJIHGYWWICIKD-JOCHJYFZSA-N 453.608 5.080 30 20 JKED C=C(C)COc1cc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)ccc1OC 747039704 FMCGIVJAKMATRY-NHDPSOOVSA-N 454.573 5.014 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1NC(=O)c1ccccc1 748018550 HGVSPJLIKQRGGW-LJQANCHMSA-N 466.493 5.901 30 20 JKED CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 779183635 FNDZZTZEWJAGQJ-GOSISDBHSA-N 458.539 5.237 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)cc1OC 837301050 OSCSLFYDIDLAQY-OAQYLSRUSA-N 499.589 5.065 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cccs3)C2=O)cc1 837387402 HFJNCWMYZPFRDB-JOCHJYFZSA-N 477.611 5.420 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2sccc2C)c1 914555926 ORACEWDJCRKIGX-OAQYLSRUSA-N 492.626 5.175 30 20 JKED CN(C)Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)c1 914691790 SGOORXJZSBRIRI-XMMPIXPASA-N 490.604 5.048 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)Cc2cccs2)cc1 914694964 ZLVCQHIGWRGWGW-JTSKRJEESA-N 479.627 5.348 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103126 OYBOSAWFEUJQPZ-SIKLNZKXSA-N 482.392 6.257 30 20 JKED COc1cc(/C=C/C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OCc1c(C)noc1C 915174847 DYMOGVONYQBREL-DHZHZOJOSA-N 496.523 5.590 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCc1ccccc1 915354016 SUUFDPLMNLTHQN-NDEPHWFRSA-N 491.591 6.594 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cccc(NC(=O)c3ccccc3Cl)c2)S1 915848959 DEVNNVBMRVYACS-STZFKDTASA-N 461.974 6.101 30 20 JKED C=CCOc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1OC 916168512 JYVOIZGWDDHFJV-NRFANRHFSA-N 491.535 5.053 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccn2)C1=O)Nc1ccccc1F 916209290 ITRVAQQCTCTLJU-HXUWFJFHSA-N 468.941 5.035 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1OC 916210595 FNHWUEIUQQUOFA-NRFANRHFSA-N 499.976 5.111 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)OC)cc2)c1 916474802 LRIAPFBDPAHFNO-UHFFFAOYSA-N 499.976 5.152 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(SCc2ccccc2)cc1 916901108 YSHDQRJOKYQCDK-HXUWFJFHSA-N 464.974 5.911 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1NC(=O)c1ccccc1 916908515 MWNIDEVMPGLWOE-XMMPIXPASA-N 489.531 6.001 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c12 916937321 CNYZNYOCZYRMLK-INIZCTEOSA-N 469.948 5.372 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(COc2ccccc2Cl)n(C2CC2)c1=S 917458254 YPMPRWYXDUSLAV-UHFFFAOYSA-N 468.026 5.723 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H]2c2cccc(Br)c2)c1=S 917481823 BJBDIGSVNIGKEK-NRFANRHFSA-N 490.515 5.186 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(N2CCCCC2)o1 917567290 MNTBWZJGRALXPP-UHFFFAOYSA-N 452.967 5.552 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(Cl)cc1)[n+]1ccc(Cc2ccccc2)cc1 917613745 RZZNCPAKQWYLEU-UHFFFAOYSA-O 483.016 6.413 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1 917685231 WSMAICLJCLZVJY-HXUWFJFHSA-N 469.563 5.056 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C)s3)C2=O)cc1 917701936 BHQANFFMWAZKNJ-JOCHJYFZSA-N 474.611 5.397 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1C#N 917706936 CFYAHXBYSZLYKW-FQEVSTJZSA-N 499.434 5.471 30 20 JKED C[C@@H](Cc1ccccc1Cl)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 918268559 FHDAMXYOOTWFPA-HRAATJIYSA-N 466.368 5.335 30 20 JKED N#C[C@@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 920109125 DJERYEGQFWSXCL-KRWDZBQOSA-N 472.879 6.158 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)cc1 920110213 BWZVUWBXFGTVJN-IBGZPJMESA-N 497.382 5.418 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccc(F)cc2)no1 920355224 MIFCMBNLMAAQPT-HSZRJFAPSA-N 488.544 5.436 30 20 JKED C#CCOc1ccc([C@@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 921016282 NAXMNKCJXRWLGY-QHCPKHFHSA-N 483.490 5.106 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)C2)C1 1779954511 PJZZUEKEJCMPIE-SSEXGKCCSA-N 485.628 5.042 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)ccc4OC)CCC3)cc2)C1 1785808017 FJSQFZZWGRAFDC-UHFFFAOYSA-N 469.379 5.172 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)CCCOc3cccc(Br)c3)cc2)CCC1 1786309077 ZLTCJFZUFGOBKC-INIZCTEOSA-N 491.451 5.061 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)Cc4ccc5ncccc5c4)cc3)CCC2)ccc1F 1786556994 PCOCPISPZNCVRF-UHFFFAOYSA-N 492.554 5.165 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C(F)(F)F)[nH]c34)CCC2)cc1 1786678879 FXVOXNPIQBISST-UHFFFAOYSA-N 488.535 5.249 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)cc1 1786678889 HRJJPVQQVWBWNL-UHFFFAOYSA-N 498.446 5.597 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786697879 DUPAAXGXCQSXGN-UHFFFAOYSA-N 473.038 5.552 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)CCC1 1789704878 GOGHKQLGLHSABM-UHFFFAOYSA-N 450.391 5.055 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789995858 UEQCYMDXNDFQJZ-UHFFFAOYSA-N 485.609 6.095 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)ccn4)CCC3)cc2)c1 1790258444 UEWGHIYSPXALGM-UHFFFAOYSA-N 464.447 5.034 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)CCC2)cc1 1790566064 OWBXCCOTVRJJLH-KRWDZBQOSA-N 493.995 5.279 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)CCC2)cc1 1790567742 PDMAFELOCQWEHT-QFIPXVFZSA-N 486.616 5.643 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(OC)c34)cc2)CCC1 1790918047 ANZKHHVAQLHWPO-OAQYLSRUSA-N 457.574 5.693 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccccc4O)cc3)CCC2)c1 1791318148 NXPMLPLMMRBIDP-LJQANCHMSA-N 453.542 5.010 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CN4CCc5sccc5C4)CCC3)cc2)c1 1792123397 YPBGKFXNDOXWPO-HXUWFJFHSA-N 498.652 5.181 30 20 JKED CC(C)(C)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)c[nH]2)cc(C(C)(C)C)c1 1799420722 VOYPOIIYWUZRMN-NUNAXRQHSA-N 460.622 5.047 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccccc4)n4ccccc24)C3)cc1 1799666964 NKIUURUFVPZABK-QEIWAGNOSA-N 474.564 5.044 30 20 JKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800812427 CQMSIKUMMZPXSW-BKFWDETESA-N 466.581 5.687 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@@H]2c2cccnc2)C1 1802405813 GFQCSPQLOCQQOO-JZZUXWEVSA-N 492.063 5.681 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cc4cccc(F)c4)cc3)[C@H]2c2cccnc2)C1 1802418324 RHOWCENMBCFJQU-NAKRPHOHSA-N 483.587 5.097 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1802491146 HYTARQLWBOIAPQ-UPNDKVRUSA-N 470.617 5.275 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1802502606 DDWJOFYUZMBXOS-CTNGQTDRSA-N 451.592 5.201 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1803085708 BZHARXNUMBHYGW-RSXGOPAZSA-N 451.655 5.462 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)Cc3cc4ccccc4n3C)C2)CC1)c1ccccc1 1805311993 QBBMARPIEOYPAJ-MUUNZHRXSA-N 495.667 5.149 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)C1 1805332485 CRGZQTWAXSSGLT-UHFFFAOYSA-N 488.031 5.037 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C2)CC1)C(F)(F)F 1806489840 RUJWLLOLODYCJX-VOTSOKGWSA-N 474.445 5.068 30 20 JKED O=C(Cc1ccccc1)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1806518484 SQXDUHZAVACZEJ-CDZUIXILSA-N 499.614 5.044 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[C@H]1c1cccnc1 1807914565 FKKCKWMEPUFZSX-WQHXYCOISA-N 493.611 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1808147825 LASZPIMDRLTBQB-ZCYQVOJMSA-N 489.660 5.497 30 20 JKED CC(C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)CC#N)C2)CC1)c1ccc(OCc2ccccc2)cc1 1809025565 WISNLRCEPMRAPJ-MUUNZHRXSA-N 487.644 5.150 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1c1cccnc1 1809694277 LNMFMTOXAFOCEU-YADARESESA-N 462.569 5.014 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1811427963 UBUUFOBOIJGLLO-SKCUWOTOSA-N 466.585 5.105 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C3(c4cccc(Cl)c4)CCCC3)[C@@H]2c2cccnc2)C1 1812988377 YVTWGGXCRHPHRR-OFVILXPXSA-N 478.036 5.219 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1813045003 DDJMTSHWHAIMCE-UTKOEOAASA-N 492.063 5.518 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3occc3n2-c2ccccc2)[C@H]1c1cccnc1 1813227109 FOXGSRGRZRGXIN-BTYSJIOQSA-N 494.595 5.132 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)cc1 1814376791 SVNSTQNPAZDOLT-ZZWNIGQHSA-N 492.583 5.101 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)n[nH]2)cc1 1818593298 KCFITWDGUFTWKT-QFIPXVFZSA-N 472.936 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)ccc3c2OCO3)n[nH]1 1818602291 GFAYIEJSFWTRPX-KRWDZBQOSA-N 472.973 5.090 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971497 ADKXTFJRXIZYPP-QRQCRPRQSA-N 465.985 5.438 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)[nH]n1 1819554110 GNLNFOXJDOFFII-JOCHJYFZSA-N 491.592 5.372 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115524 BEJZPESKRHLECF-HXUWFJFHSA-N 472.574 5.229 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)cc1 1820233072 XFFTWAQREQCFEL-JOCHJYFZSA-N 487.947 5.495 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5ccccc5c(Cl)c4OC)sc3C2)C1 1821444549 KJWWKDMIGKRBET-MRXNPFEDSA-N 482.005 5.150 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)n[nH]1 1821591989 JGVYMWJTFSAQAF-HXUWFJFHSA-N 487.585 5.009 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 1821987386 SJNGLURZNXDJGB-MRXNPFEDSA-N 457.308 5.234 30 20 JKED N#CCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(Cl)c(Cl)c4)sc3C2)cc1 1822074158 WKBYYLGTOYWDTE-INIZCTEOSA-N 485.396 5.056 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1)c1ccc(O)cc1 1822467042 HKIBGMQFZRNRCN-RDPSFJRHSA-N 496.567 5.365 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(C)ccc23)n[nH]1 1823566561 ZYJDAHUSIUKEDM-SWDTZWKESA-N 457.578 5.099 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)CC2)C1 1823701142 AQVZDRXYFOWWEM-QHCPKHFHSA-N 493.475 5.980 30 20 JKED CCOc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056254 SCBFMVNFCHAJQW-QFIPXVFZSA-N 485.049 5.085 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@H]4CCCCN4C(=O)C#CC4CC4)CC3)c2c1 1824409815 FNKBTGNRXMFMOE-RUZDIDTESA-N 490.644 5.287 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1824500536 KENZYLIPXQKABU-MHZLTWQESA-N 490.644 5.695 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccco3)CC2)cc(C(F)(F)F)c1 1825248627 BEJNIFBSNOOVJG-QHCPKHFHSA-N 487.522 5.036 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)ccn1 1825431445 BZEWESUAVZALBG-DGSRBQDKSA-N 493.673 5.113 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)CC1)c1ccccc1 1826442827 JVJCHPJLRXTOJW-NSOVKSMOSA-N 490.619 5.021 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827362794 KKLSPIAFSAFXFS-LJAQVGFWSA-N 493.651 5.939 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)CC1 1827414831 PGIXZKNTHTZTIV-QGZVFWFLSA-N 467.607 5.111 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)cc2c1 1828524386 KAQXPOHCTLBGJB-AREMUKBSSA-N 499.611 5.179 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828828789 SELRYWHQBZFAEO-LADGPHEKSA-N 464.606 5.449 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)n1 1829688018 OAVFBHIKKBDVTI-NRFANRHFSA-N 485.053 5.339 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2Cl)CC1 1829862370 GEBORKKRVDNRHC-OAQYLSRUSA-N 463.094 5.217 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1F 1829970179 XXPSUKAODJYKRP-HSZRJFAPSA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)cc1 1830012981 JOFPDELPVMJTHR-RUZDIDTESA-N 464.009 5.078 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2)CC1 1830591721 WMIKVKODHVKPEY-RUZDIDTESA-N 462.638 5.098 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1cccs1 1830724035 RIIIBVLMUHFPCX-HTAPYJJXSA-N 470.038 5.310 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1830766285 DSEMBYCHDNUKJV-AREMUKBSSA-N 482.584 5.069 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1831288005 RBBSXWLNZXLGPC-AREMUKBSSA-N 490.047 5.106 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1831372762 JMQJYVDBRVIQNH-HXOBKFHXSA-N 475.555 5.632 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)c1 1832633226 GUXVLEPGKHNSCS-SXDGJLEOSA-N 471.645 5.741 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832687674 FFCBHJIDSLGXIG-KRWDZBQOSA-N 460.899 5.063 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832703121 BUNBIBQNZVXWFX-AREMUKBSSA-N 473.617 5.201 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832991438 PJYBFTZUSCGJBA-DWJQHYKSSA-N 485.603 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1834465236 YNLTXNLVWWDWRB-KCWPFWIISA-N 481.725 5.380 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 1836602319 ANMCDYSMQUVACV-CPJSRVTESA-N 473.057 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CC1 1836614331 MQXXFUYYAYFZAF-UHFFFAOYSA-N 480.693 5.489 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)/C=C/C3CCCCC3)CC2)CC1 1838390892 URQKCIPVLWDTAF-BUHFOSPRSA-N 486.773 5.173 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c(C#N)c1C 14596521 XHAFCYIANFTNSD-UHFFFAOYSA-N 464.572 5.125 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc(Br)c2)c1 15247588 XKOJSVPCLBADTO-UHFFFAOYSA-O 471.356 5.004 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCC(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 16771678 UZGSUXYPGWOVDS-HNNXBMFYSA-N 459.612 5.011 30 20 JKED CCc1cccc(C)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1 16938991 PRBLHQVIBNUQQY-MRXNPFEDSA-N 470.809 5.766 30 20 JKED CCn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17126233 BQWLKEODUGKUDM-INIZCTEOSA-N 498.649 5.416 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)nc2sccc2c1=O 20050646 NXOPRFGEJXTOSQ-UHFFFAOYSA-N 484.653 5.271 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(Br)cc1 20067029 RHRTXGULHCZKRF-CQSZACIVSA-N 468.380 5.797 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1 25084543 DTYJRBIJFZEMGU-RUZDIDTESA-N 457.603 5.241 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@H]1COc2ccccc2O1 32557097 XFXBUCMLEZMQFW-BFUOFWGJSA-N 491.400 5.403 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(N3CCCCC3)c(F)c2)cs1)c1ccc(F)cc1F 71807917 UBGUFEYRQPYCTD-JXMROGBWSA-N 485.531 6.131 30 20 JKED Cc1cc2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)n2c2ccccc12 105403958 SFGUYOLFURCQNG-SFHVURJKSA-N 455.568 5.283 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccccn2)c1 195600159 UIKMWASECAFEPM-MRXNPFEDSA-N 490.412 5.261 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 254447095 BLYZSBXFZOBMLI-HKUYNNGSSA-N 491.585 5.141 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)n2)cc1 303210931 RAPXIGIXQZQGLP-UHFFFAOYSA-N 468.513 5.157 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC(F)F 481619200 BMGHOPUONDPTNN-UHFFFAOYSA-N 485.462 5.550 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)c1C#N 489229217 STWFKKNXIYEJFL-AWEZNQCLSA-N 469.010 5.473 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)S(=O)(=O)Cc1cccc(C#N)c1 507379840 JMWCBVLLQGMAFT-UHFFFAOYSA-N 476.989 5.026 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1 507788746 PKIJLPMWTYKPLM-UHFFFAOYSA-N 487.991 5.204 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 508869895 ZNOLSAALIPYWSI-RUZDIDTESA-N 470.598 5.536 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 509105091 BRARYCHTTQICOI-GPUOULLFSA-N 453.542 5.132 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)c1 509818033 FEXQLXKBIFJCKZ-GOSISDBHSA-N 485.005 5.680 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1Cl 510006824 UTEFDPDHIILIPK-DEOSSOPVSA-N 490.966 5.515 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1Cl 510211658 VRMXYADSPUIXNU-QPPBQGQZSA-N 494.378 5.187 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O 510254342 OIVAGKZUUGAHOL-HXUWFJFHSA-N 490.357 5.413 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 510858597 WYGHHBHXRMZZLP-UHFFFAOYSA-N 491.555 5.053 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 511390164 HOOBZFQTRKCXBN-UHFFFAOYSA-N 489.019 5.725 30 20 JKED N#C[C@@H](C(=O)c1ccc(I)c(F)c1)c1nc2cc(Cl)ccc2s1 511702467 WKAYJYULYVHATE-JTQLQIEISA-N 456.667 5.183 30 20 JKED C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 513040071 FRTJJOVTGDCDDR-HNNXBMFYSA-N 474.615 5.137 30 20 JKED CCOc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)o1 514840776 UZKQTZCAXYBOIG-UHFFFAOYSA-N 491.548 5.284 30 20 JKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3Oc3ncccc3C#N)[C@H](c3ccco3)C2)cc1 515446353 GRDCMAKQTJSUDP-DEOSSOPVSA-N 477.524 5.437 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2cccc(COCc3ccccc3)c2)cc1 516305915 YFNSVZOVANIGDR-UHFFFAOYSA-N 491.547 5.322 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](COc3ccccc3)c3ccccc3)c2)c1 517423425 XAUCARTWHIQQPT-MUUNZHRXSA-N 491.547 5.012 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2)c1 520197048 QRLNRAYCFCSHOP-UHFFFAOYSA-N 494.473 5.359 30 20 JKED N#CCSc1ccccc1NC(=O)CNc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 521101212 AFKCNOMASQRYHL-UHFFFAOYSA-N 476.989 5.096 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 521105965 CLQQMBDQNZVVLC-UHFFFAOYSA-N 474.358 5.401 30 20 JKED CCC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 524099067 PQDAXODIHCFOMO-QFIPXVFZSA-N 457.599 5.430 30 20 JKED CC(=O)N1CCc2c(sc3nc(-c4ccccc4OC(F)F)c(C#N)c(-c4ccc(C)cc4)c23)C1 543444984 OGXQVQIOINOWBV-UHFFFAOYSA-N 489.547 6.316 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)c2)c1 559803084 JWPWZBYFQHGYJP-UHFFFAOYSA-N 464.447 5.640 30 20 JKED O=C(CCCCC(=O)Nc1ccc(F)cc1C(F)(F)F)Nc1ccc(F)cc1C(F)(F)F 591781069 HUPCANUGOUOZPC-UHFFFAOYSA-N 468.344 6.140 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2cccs2)cc1 603801782 MMHAZIURESRIFG-UQBPGWFLSA-N 459.619 5.149 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)c1C 603836640 RKIMLANHXKMZBY-NRFANRHFSA-N 470.554 5.279 30 20 JKED N#C[C@@H](C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838334 GVGVDJPNFHITEN-HNNXBMFYSA-N 484.324 5.701 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 603969460 XHEZIINAVWMDJK-UHFFFAOYSA-N 452.948 5.721 30 20 JKED Cc1ccccc1C1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCOCC1 604440815 XVJGIKMRMFRYMB-UHFFFAOYSA-N 456.611 5.637 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 604461414 XHVJBYWLSMYEMC-UHFFFAOYSA-N 454.530 5.085 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cccc(C(F)(F)F)c1 608865701 ULTXZZPKCJOPSN-OAQYLSRUSA-N 496.489 5.606 30 20 JKED COc1ccc(Sc2ccc(NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2Cl)cc1 608995490 AUAURAFBYQQWTN-UHFFFAOYSA-N 494.020 5.557 30 20 JKED CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 609104260 HAMIXHOLKQRAHB-UHFFFAOYSA-N 456.477 5.702 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 609377474 XTARSSKDQXELNZ-NVXWUHKLSA-N 476.429 5.736 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCc2[nH]c3ccc(Br)cc3c2C1 609385509 VFXKSEBQNIGBNH-HNNXBMFYSA-N 483.435 5.179 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccc3c(c2)OCO3)n1 609389294 KLZMEWKCYWFTNK-OAHLLOKOSA-N 483.640 5.662 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)CCOCC2)cc1 609399237 JKULUYAEJDSOJN-IBGZPJMESA-N 453.608 5.207 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1C 609427367 IGYGSDSMWDSESN-UHFFFAOYSA-N 455.543 5.279 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(S(=O)(=O)N4CCCC[C@@H]4C)c3)n2)cc1 613317963 AMUZHTYCTARDTM-AVRDEDQJSA-N 479.627 5.172 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1OC 617996449 RRKYKPDVTBBCGX-RTBURBONSA-N 472.614 5.651 30 20 JKED O=C(NCc1ccc(OCc2cccc(F)c2)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618551873 OCGPIBYOFHDRTC-CALCHBBNSA-N 478.408 5.677 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 622255320 GLJRKORJZPXHOR-HNNXBMFYSA-N 486.405 6.739 30 20 JKED FC(F)Oc1ccc(Br)cc1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642198143 ZNZBEAAZUDJPDN-IAZYJMLFSA-N 470.198 6.050 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726319663 MRNGEKPLYAKEIQ-GOSISDBHSA-N 465.456 5.943 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc(C)nc21 726320499 YMPAGSCCLOJOML-GHTZIAJQSA-N 467.529 5.464 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)O[C@H](c2ccccc2)c2cccc(F)c2)CC1 726347406 NRFAKOSQKDEMHV-XMMPIXPASA-N 471.488 5.495 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N\[C@@H](C)c1cccs1 726418852 FTZJVFGMOLSYAN-SHZNUGFISA-N 481.643 5.328 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@@H](C)c1cccs1 726422291 WEGBCOJPKBZNNH-FOXKRKRVSA-N 487.647 5.847 30 20 JKED C=CCOc1ccccc1CN(C(=S)N[C@H](C)c1cccs1)c1ccc2c(c1)OCO2 726442829 CRIMNARGNNXJRY-QGZVFWFLSA-N 452.601 5.684 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(OC(C)C)cc2)c1 726573850 SWJYASQSPMHWSH-UHFFFAOYSA-O 490.649 5.799 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccc2C)cn1 726893214 XPACZSPZLZCRGM-QHCPKHFHSA-N 488.613 5.176 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 727253793 KHZMFEWOHLLGLU-UHFFFAOYSA-N 482.518 5.097 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727626648 DZKXCFFTPHMMEU-HXUWFJFHSA-N 454.555 5.013 30 20 JKED C#Cc1cccc(N(C)C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 728482132 KGVQGZGTMAJUBE-MRXNPFEDSA-N 459.596 5.330 30 20 JKED Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1 728668898 DOLHXTSCELCRMA-UHFFFAOYSA-N 483.549 5.654 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(CCCCC#N)C1=O 728775857 DIMUNFSRNXMELW-OAQYLSRUSA-N 499.036 5.620 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 729244574 CJBFXKWMGJBYKV-AREMUKBSSA-N 457.961 5.281 30 20 JKED Cc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)s1 729285591 SYXAWZFNCCARPE-CQSZACIVSA-N 458.605 5.100 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 729630929 GJWJRJBDCDBYFP-OAQYLSRUSA-N 482.968 5.343 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2F)cc1F 729818514 WHYPAAFCRVPRSX-HSZRJFAPSA-N 490.535 5.305 30 20 JKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccc(N2CCCC2)cc1 730440982 OCTJKSBGNMTGND-KRWDZBQOSA-N 458.587 5.421 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730718920 SIZWEAMXMRYTMG-FQEVSTJZSA-N 486.956 5.190 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3OCc3ccccc3)n2)cc1 730921123 VVKUCKLXWOUENY-JOCHJYFZSA-N 454.551 5.953 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 730943623 HNHDWXYWBQIILF-DFBJGRDBSA-N 480.593 5.956 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 730943685 JJWXLIGUEYEZIW-GAJHUEQPSA-N 491.592 5.008 30 20 JKED CC(C)(C)n1cc(C=Nn2c(S)nnc2[C@H]2COc3ccccc3O2)c(-c2ccccc2Cl)n1 731151766 VFLWGYSADVDAKB-HXUWFJFHSA-N 495.008 5.233 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)nnn1-c1ccc(-c2ccccc2)cc1 731288639 YUUSTZSGVCNESE-VWLOTQADSA-N 471.520 5.357 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)cc1 731307616 IQBNRGREQRLECP-KOSHJBKYSA-N 488.613 5.632 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CCOc2ccc(Cl)cc2Br)c2ccccc21 743002167 UUZFHIXTTMEYMK-UHFFFAOYSA-N 489.753 5.166 30 20 JKED COC(=O)COc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cc1 745020793 QTEGHKOFDHREMC-YFHOEESVSA-N 458.333 5.021 30 20 JKED O=C(/C=C\c1ccc(-c2ccccc2Br)s1)c1cccc(N2CCOC2=O)c1 745626846 SNIBVGIRUDBNDC-NTMALXAHSA-N 454.345 6.030 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)s2)c(C)c1 746416898 RFBZKRKYDCXJAR-JOCHJYFZSA-N 481.577 6.489 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1 746696216 KTPYLJTZPOGXBU-QHCPKHFHSA-N 472.545 5.468 30 20 JKED COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1OCCCC#N 747356725 FJXOJHGSDRVMDF-UHFFFAOYSA-N 462.362 5.114 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c1 747599240 ILSPFKXTHFSEPX-QFIPXVFZSA-N 492.670 5.580 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cscn3)C2=O)cc1 747603827 YKOMBFCVIUAUNQ-NRFANRHFSA-N 480.615 5.011 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)ccc1SC 747614334 DTMAWHVJCMGNCS-JXMROGBWSA-N 458.992 6.108 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 751012998 BILQZVHWJKIDNH-UHFFFAOYSA-N 459.449 6.067 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 837285296 MUJZMUORJBPTAH-IERDGZPVSA-N 498.530 5.822 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3ccccn3)C2=O)cc1 837386821 CDJGBAJUIZRJKP-HOYKHHGWSA-N 486.597 5.314 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N([C@H](C)c2ccccn2)C1=O 837641603 OLGJIHOHCZKGKR-DVECYGJZSA-N 488.613 5.429 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccs3)C2=O)c(OC)c1 837864423 ORYGMYQTNUBUNY-QFIPXVFZSA-N 495.626 5.234 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 837917676 HNDCYUCWDOXUIN-HXOBKFHXSA-N 476.577 5.505 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc(COc4ccccc4)cc3)no2)CC1 904441564 CDGWZHYEAVGWIW-UHFFFAOYSA-N 493.523 5.819 30 20 JKED COc1ccccc1-c1nn(CN(C)Cc2ccc(C#N)cc2)c(=S)n1-c1ccc(Cl)cc1 914783116 GHCOOGMWQBHLOK-UHFFFAOYSA-N 476.005 5.693 30 20 JKED CC(C)[C@@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104085 JXMRMDIGFJNMDJ-MLGOLLRUSA-N 451.495 5.007 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccc2)C1=O 916208933 ANZDARWRPQBFFR-JOCHJYFZSA-N 479.989 5.509 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 916214923 RJPOYKDSAJGCLL-OAQYLSRUSA-N 474.026 5.344 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916885783 BMAJAIJSFYFIRD-MRXNPFEDSA-N 486.521 5.462 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cc1c(C)[nH]c2ccc(Br)cc12 916898602 CSWUEXBNSKEQJF-MRXNPFEDSA-N 488.769 5.099 30 20 JKED N#C[C@H](C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1nc2cc(Cl)ccc2s1 917045894 CBEIRGRTRLTKSD-MRXNPFEDSA-N 476.970 5.265 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccsc3)C2=O)cc1 917675572 PJMDAGYHGBEVLU-NRFANRHFSA-N 465.600 5.307 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917678083 OENGOADCGDAUFE-IBGZPJMESA-N 457.527 5.187 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)c1OC 917678279 QXXOJHVJGDRYQB-QFIPXVFZSA-N 493.560 5.003 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](c1ccccc1)C1CC1 917702692 IGHXJKDKPUINJN-AZGAKELHSA-N 498.583 5.809 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1C1CC1 917704094 FEWRTGCGLQEBHC-GOSISDBHSA-N 492.910 5.353 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1c1ccc(C)c(F)c1 918078518 JIVJPXUYPSSTBC-RUZDIDTESA-N 454.505 5.498 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 919195317 COYLFRGXKIBMIT-KRWDZBQOSA-N 480.634 5.194 30 20 JKED Cc1c(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)nnn1-c1ccc(F)cc1 920389706 SEKDELQLSVTSJF-NTEUORMPSA-N 460.896 5.517 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c12 920806289 SDDZADWRXHASAZ-VWLOTQADSA-N 484.563 5.909 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccc(Cl)nn4)c3C(F)(F)F)cc2)cc1 921010077 JHIUXTRBVCEAOB-UHFFFAOYSA-N 484.825 5.251 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)cc1 921255361 ZTFQUCGSGBKRLC-OAQYLSRUSA-N 475.561 5.050 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2)CCC1 1786028894 GNDLHJVNIVNQMY-DQEYMECFSA-N 483.543 5.014 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)c1 1786041533 ZDKHJUCXBADRPE-HHHXNRCGSA-N 463.528 5.371 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCC2)cc1 1786103321 XEIWMYKSRPRYPW-IBGZPJMESA-N 469.626 5.050 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CCC2)cc1 1786362723 VNFTWOCUTSEHBL-OALUTQOASA-N 486.534 5.067 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)CCC2)cc1 1786679000 RJZZUYQVBWQHMG-UHFFFAOYSA-N 488.535 5.020 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccoc3C)cc2)CCC1 1787364662 YGHKKRPPCKZJDA-QHCPKHFHSA-N 493.604 5.033 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(C(F)(F)F)c3)CCC2)cc1 1787885745 JYXUTYNVGPFKJV-UHFFFAOYSA-N 492.501 5.819 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3occc3Br)CCC2)cc1 1788649769 XCRHESIVQUZRQQ-CMDGGOBGSA-N 499.386 5.290 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)/C=C/Sc3ccc(C)cc3)cc2)CCC1 1789489045 HJJLAWWFCWSOJE-SAPNQHFASA-N 478.614 5.244 30 20 JKED COc1ccc2c(c1)CC[C@@H](CC(=O)NC1(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC1)C2 1789577861 PVXMXEXBQAAMSZ-RQQFFKHGSA-N 499.611 5.036 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COc3cc(Cl)ccn3)cc2)CCC1 1789620085 CSFCERYXSLPFCL-NRFANRHFSA-N 453.970 5.016 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C(F)(F)F)cn3)CCC2)cc1 1789625850 AMOYDDIROPOEPK-UHFFFAOYSA-N 460.500 5.236 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)CCC1 1790130701 CLJXJCNGPWHQIL-UHFFFAOYSA-N 460.965 5.281 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(F)c(F)c4)CC3)cc2)CCC1 1790365133 UFGDZNPALQTJFN-UHFFFAOYSA-N 456.558 5.050 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)CCC3)cc2)ccc1F 1790520262 KYSANYVUVMVDHI-GMQQYTKMSA-N 497.595 5.262 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Cl)cc(Br)c4[nH]3)cc2)CCC1 1790912412 BZIMMLMXYBAKER-UHFFFAOYSA-N 485.769 5.245 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CCC2)cc1)C(F)(F)F 1791305681 YSYYJPWKCMODRE-IBGZPJMESA-N 497.558 5.036 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)CCC2)cc1 1791573521 AIRJMCCXUIRSKF-HNNXBMFYSA-N 467.541 5.093 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cncn3-c3ccc(Cl)cc3F)CCC2)cc1 1791582569 CMJMOZYFKRGGKO-UHFFFAOYSA-N 478.955 5.216 30 20 JKED CCOc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792169238 BRHPHPHBPJKIME-UHFFFAOYSA-N 498.583 5.201 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cc(F)ccc1Br)C2 1792567959 YFVLSMWDBWYWDO-ACDBMABISA-N 479.434 5.151 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Cl)c1 1799623470 GKGPHOHPVPYYPJ-REPLKXPHSA-N 465.497 5.296 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1 1799706470 BRDPKVGWABLIDR-ACDBMABISA-N 495.423 5.161 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(C)(C)C)cc2)c1 1800498419 OLSMASDLSWTAAN-LZQXYRQZSA-N 459.590 5.057 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C)C2 1801643864 SCLCQRZXAHDFAH-WJMWBRGCSA-N 469.626 5.114 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)C2)c1ccc(O)cc1 1802424004 HJJAPIJXGSMZQW-YLEPDLMKSA-N 476.661 5.134 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccoc2C(F)(F)F)[C@H]1c1cccnc1 1802504133 VUARKIPVSHOASU-HKUYNNGSSA-N 463.500 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@H]1c1cccnc1 1803213027 SIBQPEIGKDKVCX-WTEVXDJOSA-N 481.587 5.162 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)c1Cl 1803899277 CZTVRGBYGIKLKQ-QDMKHBRRSA-N 497.209 5.737 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)ccc3OC)CC2)C1 1804866598 JSRKPGVKJCIGRH-UHFFFAOYSA-N 491.470 5.295 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC4(CCCN(C(=O)C#Cc5ccc(Cl)cc5)C4)CC3)cc2s1 1805336650 OXXZASWVFMGCFX-UHFFFAOYSA-N 480.033 5.088 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)C1 1806027559 AXHLENOTBMPFAZ-FQEVSTJZSA-N 482.571 5.068 30 20 JKED CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1ccccc1 1806272479 RVLQDRZFFPWONO-NSVAZKTRSA-N 489.736 5.332 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H]1c1cccnc1 1808951513 GEYFEABADMBMOY-NGQVCNFZSA-N 488.591 5.030 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc4cccc(F)c4s3)[C@@H]2c2cccnc2)cc1 1809205695 RFCFMHVRIWRCHY-RDGATRHJSA-N 498.583 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2C(C)(C)C)[C@H]1c1cccnc1 1810494532 HPANVWHSUIILJG-GGAORHGYSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1810495501 SMVQKSAMNRHCON-XUZZJYLKSA-N 487.566 5.341 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1810501080 GQDQOJIAFOHKQF-REWPJTCUSA-N 487.566 5.721 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@@H]1c1cccnc1 1810511050 VHEGUHUZCFZGRS-FIBWVYCGSA-N 497.614 5.325 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)[C@H]1c1cccnc1 1812591377 GFOXNASKQYHRRA-HMHJJOSWSA-N 492.019 5.429 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)[C@@H]1c1cccnc1 1812591380 GFOXNASKQYHRRA-NXQMDHLFSA-N 492.019 5.429 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813226869 VKEOPKCRYCYPBS-XXBNENTESA-N 491.941 5.267 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1813226964 WSGIUVVHIGUJMJ-GGXMVOPNSA-N 482.628 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)[C@H](C)Cc3ccc(F)cc3)[C@@H]2c2cccnc2)c1 1813869423 GLKJDBPUQLQPJI-YVSPVTELSA-N 498.602 5.046 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cc4cccc(F)c4)cc3)[C@H]2c2cccnc2)C1 1813992936 RZEBQPURJPPGES-LEAFIULHSA-N 483.587 5.097 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(Cc3cccc(F)c3)c2)[C@@H]1c1cccnc1 1814008763 JEPQJXVBGLHBPV-OFSOJUDTSA-N 497.614 5.325 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)cc1 1814379349 QUVAZGGNWSVYHC-JOCHJYFZSA-N 495.505 5.239 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)c(C)c(OC)c2)[nH]n1 1814445857 ZDHAGEZXIVKRAY-FQEVSTJZSA-N 468.598 5.034 30 20 JKED Cc1ccc(F)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814578400 DYYKGYWIECQALE-UZUQRXQVSA-N 459.525 5.104 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1815207140 SDGHBGWLBDJKLI-FQEVSTJZSA-N 484.000 5.142 30 20 JKED Cc1csc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)c1 1815379043 CYXOAMQBMGKDGG-GOSISDBHSA-N 498.406 5.034 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(Cl)s2)n[nH]1 1815731319 SDRZSMKQIKUPKY-IBGZPJMESA-N 491.133 5.411 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c(C(F)(F)F)o1 1816470048 LQOHKAPIUBBWGJ-LJQANCHMSA-N 485.466 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(OC)cc2)n[nH]1 1817772430 SHVJFMKDDFQLIW-RDGATRHJSA-N 499.615 5.555 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)[nH]n1 1818117982 JHNBPPWVJIBHHY-DKFQHHCZSA-N 486.956 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COCc2ccc(C)c(C)c2)n[nH]1 1818138400 TYVKFABVWICEMF-VWNXMTODSA-N 464.610 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)[nH]n1 1819306852 HDWMOJXKPSSXDC-YJBOKZPZSA-N 462.381 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2N2CCCCC2)[nH]n1 1819309209 OUOPSHDGIAOZKT-BWKNWUBXSA-N 475.637 5.474 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)ccc2[nH]1 1819386985 SELJKLOKEXOARK-XMMPIXPASA-N 489.696 5.556 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2c(C)cccc2C)n[nH]1 1819590756 ZFYRXWXWHFPYKI-OAQYLSRUSA-N 452.624 5.005 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[nH]n2)cc1 1820547557 RWLUWMWIYZKHRL-QFIPXVFZSA-N 499.958 5.814 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3cccnc3)cc2)n[nH]1 1821002515 BOIFCTNQIZOQGD-RUZDIDTESA-N 469.589 5.546 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)S)[nH]n2)cc1Cl 1821338806 AFHHPFDHUQUNLV-SJCJKPOMSA-N 485.437 5.128 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cc(Cl)ccc3Br)n[nH]2)C1 1821870823 XWADOEJLZGELDX-LJQANCHMSA-N 491.817 5.027 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1821923047 SIUVGWOUICNPIR-CPJSRVTESA-N 481.600 5.848 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)c1 1823210350 AGDYLYZQYPFXNI-IGONNILYSA-N 459.575 5.118 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1823646288 KHUJPPXUMCMTQM-OAQYLSRUSA-N 486.037 5.219 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3ccccc3)n2)CC1 1827764010 XNJADUGKAVSMCH-MHZLTWQESA-N 457.618 5.176 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)cc2c1 1828122494 DQKSGCROPSSROR-MHZLTWQESA-N 491.752 5.761 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828164177 QASNGWNYTHJONC-TZIWHRDSSA-N 473.013 5.070 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ncccc34)CC2)c1Cl 1829690343 XAXPEZZTIGLLED-VWLOTQADSA-N 487.003 5.307 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1 1830360039 CUILINZNIPXMPI-NDEPHWFRSA-N 489.635 5.226 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1830628858 QMFTUTFZQQACOP-NDEPHWFRSA-N 492.623 5.362 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)cccc2C)CC1 1830639804 GAPUTHWANUIBOE-ZEQRLZLVSA-N 497.680 5.006 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)c(Cl)c1 1830723392 HFCLEWPCMVRWAT-HSZRJFAPSA-N 454.014 5.025 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1831370939 RHZGHZVOLZLTDE-AJTFRIOCSA-N 484.644 5.471 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831852026 LYSLOADUCWCDFG-QHCPKHFHSA-N 463.449 5.349 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1832630051 XVLSBJKOIKVGTA-QDPGVEIFSA-N 471.645 5.407 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1Cl 1832661167 WFELTYYSGRYBFB-CLOONOSVSA-N 494.035 5.523 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)CC2)c1 1832956671 ILVRAPRMSAXHQA-KPURRNSFSA-N 483.656 5.352 30 20 JKED COc1ccc(-c2cc(C(=O)OCC(=O)N(CCC#N)c3ccccc3)c3ccccc3n2)cc1OC 3263177 XKFBIFBMZHBFBX-UHFFFAOYSA-N 495.535 5.023 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172850 FIXYGJJDCSGKQQ-UHFFFAOYSA-O 483.604 6.702 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1)c1ccc(Cl)s1 11128505 IHFOMNRWFWTOFV-UHFFFAOYSA-O 457.906 5.464 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OCCC)nnc1-c1ccc(Cl)cc1Cl 11149604 ATDDMPXERSKDAO-UHFFFAOYSA-N 477.417 5.958 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2cccc(Cl)c2C)cc1 11257062 QOZWKSWWFKPZEK-UHFFFAOYSA-O 488.858 6.312 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 18107001 DVFLCEIWICQLMH-UHFFFAOYSA-N 455.992 5.189 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(CO)c2)cc1 22690265 NIXHRMRYGSHKAQ-UHFFFAOYSA-O 489.589 5.231 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc3c(c2)CCCC3)cc1 22695503 MYNWPJQNOISMES-UHFFFAOYSA-O 459.635 5.919 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2cccc(O)c2)c(Cl)c1 22732747 SEAMRQFCDYAOHP-UHFFFAOYSA-O 454.015 5.926 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 23518580 AGXKRRYGCZPRNZ-JKSUJKDBSA-N 474.989 5.194 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)o2)c1 23617684 WUEWVGSVGLZADC-QGZVFWFLSA-N 470.982 5.346 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)c2)c1 31776743 UJFKHIKOPVXMMM-UHFFFAOYSA-N 498.589 5.276 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)CC1 32945636 ZQYOLXQKXMDSTA-UHFFFAOYSA-N 496.527 5.305 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cs2)cc1OC 46759611 PUAUMDSERVAKSK-UHFFFAOYSA-N 485.565 5.459 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 108471186 CDECLRUFZYDGOI-UHFFFAOYSA-N 475.508 5.533 30 20 JKED C=CCn1c(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)nnc1[C@@H]1COc2ccccc2O1 116207332 HXDFXQXNEMPTGV-DEOSSOPVSA-N 489.576 5.082 30 20 JKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl 195701014 MTJRTXFBHFIABU-SFHVURJKSA-N 457.961 6.146 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 302984474 UUKSFWYFBQGHKA-QFIPXVFZSA-N 471.630 5.188 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 303359371 POZWQONKMMTSKQ-AWEZNQCLSA-N 482.959 6.003 30 20 JKED CCCCOc1c(Cl)cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1OCC 478915609 XWIDZJSPXCWZHW-UHFFFAOYSA-N 455.986 5.142 30 20 JKED Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)c1 479625408 TXJNSZXEOVDPQE-IBGZPJMESA-N 450.564 5.001 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc2ccccc2n1C(F)F 481597490 NSZADBJQYUQWJE-HNNXBMFYSA-N 479.462 5.904 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCCCc3nc4c(s3)CCCC4)cc2F)c1 481680783 AAQCEZFWTKGEPW-UHFFFAOYSA-N 464.566 5.366 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481691201 WGWNMYZEQAYLRL-UHFFFAOYSA-N 460.465 5.405 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2c(F)cccc2F)cs1 497900334 FONBANVYHMBDAT-ZDUSSCGKSA-N 468.466 5.610 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccnc(OC4CCCC4)c3)c2)cc1 499789555 AKLXGRZRTIHGIG-UHFFFAOYSA-N 456.546 5.370 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc(-c2ccccc2)cs1 504068587 KNIMDYQZBBJTDK-KRWDZBQOSA-N 467.554 5.817 30 20 JKED COc1cccc(NCc2nnc(SCC(=O)c3ccc(C#N)cc3)n2C2CCCCC2)c1 505179687 KZQPDLRFRREAOE-UHFFFAOYSA-N 461.591 5.251 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 505620151 GBCIXTKOEOJALC-GOSISDBHSA-N 475.570 5.367 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1ccccc1C(C)C 506872681 MYFMLAMVRSHQNJ-MRXNPFEDSA-N 463.513 5.591 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccccc2OC(F)F)cc1 508279399 NDYQHUJQQXRMNE-OAHLLOKOSA-N 453.445 5.843 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)o1 509949774 VGAYRHLBECQOCC-UIMAMFOWSA-N 460.669 5.484 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(OC)c(Br)c1 512917462 RAAXSNOCAZAZNY-UHFFFAOYSA-N 464.360 5.246 30 20 JKED C=CCc1cc(CNC(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)cc(OC)c1OC 514060873 UXPHMGGAEXBUDJ-INIZCTEOSA-N 451.592 5.425 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OC(F)F 516641396 CLTXEYADWWDXQV-UHFFFAOYSA-N 467.472 5.933 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1Cl 517118021 LJZLIYHAEAPCSW-JOCHJYFZSA-N 498.974 5.852 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SCc4csc(C)n4)cc3)n2)cc1 517800761 GOUBEFOKBRFSTL-OAQYLSRUSA-N 477.636 6.366 30 20 JKED CC(C)COc1ccccc1CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 518181062 ZHZGSMIASWVWTR-UHFFFAOYSA-N 453.593 5.059 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 518683513 WRPOBXGEJQYTJW-SJLPKXTDSA-N 482.009 6.053 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)cc1 521751876 MKZNAPRQJZSIAT-UHFFFAOYSA-N 477.586 5.063 30 20 JKED CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)Cc1ccc(OC)cc1 521808520 IUWNWAJKRMRHFO-OAQYLSRUSA-N 457.574 5.825 30 20 JKED Cc1sc(CNC(=O)c2occc2COc2cccc(C#N)c2)nc1-c1ccc(Cl)cc1 522591723 YCUVGPVZSKLDAN-UHFFFAOYSA-N 463.946 5.746 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCc1ccc(Br)cc1 553338909 RFJRRELXAHDIJH-KRWDZBQOSA-N 497.483 7.245 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(OCc3ccncc3)cc2)cc1Cl 562857217 QTHFCIFXASDOFC-VWLOTQADSA-N 453.929 6.222 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603766017 JLWUSEFSKCHLFJ-IBGZPJMESA-N 475.957 6.463 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 603956149 IAVNAEZFWPYOQD-UHFFFAOYSA-N 466.006 6.132 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1 603972445 OFGWETFEHVXDFI-UHFFFAOYSA-N 471.601 5.454 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1 608891900 RRKJTZBNDMXXKS-UHFFFAOYSA-N 494.570 6.143 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 608941532 NFKZACFPNLEGQS-UHFFFAOYSA-N 494.395 5.531 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 608960040 VMKZCCKNJXRBCR-LBPRGKRZSA-N 458.406 5.020 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1ncnc2sc(C)c(C)c12 609062041 SSQUYZJVGWILGC-UHFFFAOYSA-N 474.611 5.798 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c1 609066889 OLGGTHYQASNIIH-UHFFFAOYSA-N 460.234 5.362 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2Cl)c1 609079408 AVNURNSHYKQIJO-HXUWFJFHSA-N 486.959 6.343 30 20 JKED Cc1csc(CCCCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 609080323 YFADVDMRCWQZEQ-UHFFFAOYSA-N 454.983 5.700 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 609435718 HUGBINBJJYEXIA-HXOBKFHXSA-N 463.990 5.579 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300937 HSDNKIXEGSVGEC-OKILXGFUSA-N 474.380 5.005 30 20 JKED COc1ccc(-c2cc3nc(CSc4nc5c(c(C)c4C#N)CCC5)[nH]c(=O)c3s2)cc1 619263530 CULHFXPEKZBUIT-UHFFFAOYSA-N 460.584 5.016 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 620304481 DCRYZSHAFPZQBX-INIZCTEOSA-N 465.481 5.762 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cnn(-c2ccccc2F)c1 621878048 HGLLOZPSUFENKH-UHFFFAOYSA-N 477.336 5.146 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cccc(C)n2)c1 726409453 BBNAHONRDLKMLP-QHCPKHFHSA-N 489.000 5.185 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)S/C1=N/[C@H](C)c1cccs1 726419703 GPLZXBMYUVKYMO-ITUNBWHSSA-N 466.028 5.210 30 20 JKED C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=S)Nc1ccc(C#N)c(Cl)c1 726443930 KBJGRJLTLOSXGI-HNNXBMFYSA-N 460.455 6.757 30 20 JKED COc1ccc(OC)c(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2cccc(C)c2)c1 726566816 AJKNTBIZBPXWMU-UHFFFAOYSA-O 492.621 5.029 30 20 JKED CC(C)Oc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1 726569506 BPEVTUWSXISNGC-UHFFFAOYSA-O 490.649 5.565 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)OCCO3)[n+]2ccc(C(CC)CC)cc2)c1 726573508 HMLHSOLUIBNLAK-UHFFFAOYSA-O 485.629 5.954 30 20 JKED Cc1c(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727267635 YUJSSCJRVQAXRV-KHPPLWFESA-N 479.876 5.922 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O)NC1CC1 729144162 CEEUDVVYGYWSJA-JTHBVZDNSA-N 469.557 5.106 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1Cl 729320446 XUBAKKWVCFISGS-QFIPXVFZSA-N 460.921 5.756 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 730664603 UAORCSQIBNUDPO-JOCHJYFZSA-N 483.012 5.859 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccccc1 730710853 SXJDVEVRQXXXKT-SFHVURJKSA-N 475.357 5.142 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)cc1F 730718558 KYVXFUWBHDAJSC-IBGZPJMESA-N 490.919 5.075 30 20 JKED Cc1ccc(Cl)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cocn2)c1Cl 730722155 OEPAWMGFWKAXQS-KRWDZBQOSA-N 489.384 5.450 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 730900070 VFKQFVDKMXAJNT-IBGZPJMESA-N 450.539 5.180 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2Cl)cc1 731306579 WEDKAUIYQVYIKJ-JOCHJYFZSA-N 495.988 5.215 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1C 746695045 BDHPBYJFITUVKW-QFIPXVFZSA-N 471.598 5.220 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cc3ccccc3[nH]2)C1=O)NCc1ccccc1 746695278 DGVYMFMTETZXKH-XMMPIXPASA-N 486.572 5.145 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 746697987 RGDVTDCYBROELX-QHCPKHFHSA-N 485.625 5.528 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCc3nccs3)C2=O)c1 747601097 DTNZYKCYUHOGBU-OAQYLSRUSA-N 496.633 5.410 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)c1 747601689 FTHHJJCBMMMUIC-HXUWFJFHSA-N 468.579 5.005 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cscn3)C2=O)cc1 747602699 MBSNBZOHSMFGPN-HXUWFJFHSA-N 468.579 5.060 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCc3nccs3)C2=O)cc1 747603840 YSYFCRKWUYDQMG-OAQYLSRUSA-N 478.643 5.271 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1=S 749670585 BBGKQTNHEMPUQU-XZOQPEGZSA-N 497.709 5.260 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CC(F)(F)F)C2=O)c1 799211555 RQPWZQSFXQTSNT-SFHVURJKSA-N 463.525 5.443 30 20 JKED CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1 814297763 SFBXZYOCPNHZJC-LDADJPATSA-N 458.406 5.205 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nc3ccccc3s2)s1 827601616 FXIWLYRUTGTUSG-MRXNPFEDSA-N 491.594 5.526 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CCN(C3CC3)CC2)c1 837385344 VUBFEEZOJAHXEH-HSZRJFAPSA-N 497.064 5.236 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccc3F)C2=O)c1 837548062 JVJDUMMXBVACIZ-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837637754 HRJVQPXVSMVAIE-FDDCHVKYSA-N 476.577 5.559 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)O[C@H](C)C(=O)NC4(C#N)CCCCC4)c23)cc1 842865336 ULQYQDKTCSRNQG-QGZVFWFLSA-N 494.642 5.033 30 20 JKED CC(C)(C)OC(=O)NC1(c2noc(-c3cccc(Oc4ccc(Cl)cc4C#N)c3)n2)CC1 904990798 PEFGDDXHSNIDFT-UHFFFAOYSA-N 452.898 5.568 30 20 JKED CC(C)OCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)cc1 914548956 WLHASONVCFQZNU-JOCHJYFZSA-N 486.037 5.065 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 914551756 LYITWVVRYCXWJE-FQEVSTJZSA-N 498.967 5.043 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 915087266 RFQKQZWNTHGOCV-XMMPIXPASA-N 456.523 5.161 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCc2ccc(C)o2)C1=O 915111873 QRCWTGMNSHIHAQ-JOCHJYFZSA-N 499.539 5.078 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CC2CCC2)C1=O)Nc1ccccc1 915116749 NVTNHZJMDJEWOC-LJQANCHMSA-N 459.518 5.048 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1cc(OC)c(OC)cc1-c1ccccc1 915270816 BBDIDAGMXQMOOY-UHFFFAOYSA-N 490.585 5.111 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)cn2)cc1 916073540 AFEJSRDBDDDSSB-UHFFFAOYSA-N 454.100 6.006 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 916206844 AALOPTHAVDZKEK-SFHVURJKSA-N 480.417 5.299 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccccn3)C2=O)cc1 916207614 HJBCGDQCGOIAEP-DEOSSOPVSA-N 486.597 5.062 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCc3ccccn3)C2=O)cc1 916212062 RPOQDBYIBNRJEW-DEOSSOPVSA-N 488.613 5.073 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2OC)ccc1OCc1ccccc1 916277798 SKQGJMCABRNWOE-UHFFFAOYSA-N 460.559 5.102 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccc(SC(F)F)cc1 916887395 NUAGWDCRSIFCJF-MRXNPFEDSA-N 477.439 5.215 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 916903854 XCXFNWVOVFQMML-OAQYLSRUSA-N 474.944 5.635 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2[N+](=O)[O-])n1 916919753 ZQGKXMRNVAJBNC-SFHVURJKSA-N 488.550 5.625 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 916927639 MRRSODKJKKLDRQ-UGKGYDQZSA-N 480.351 5.202 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916928444 LIBPCUWWWAUVJP-KRWDZBQOSA-N 474.369 5.227 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C#N)cc2)c1 917689260 KWHSPMLXEDVUEF-VWLOTQADSA-N 498.608 5.290 30 20 JKED CCOc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(C)C)c2)cc1OC 917710974 ZTMBYIQJCBUIIP-DEOSSOPVSA-N 495.645 5.018 30 20 JKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1 918330350 ZARLGDUOSPGYSM-UHFFFAOYSA-N 471.607 5.281 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(Cc2cccc(Br)c2)C(C)C)c1=S 919954067 IACUCCMUABPLSP-UHFFFAOYSA-N 458.429 5.293 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccc(Br)cc3)n2)cc1 920141240 DUWWAEMUOZMPTR-GOSISDBHSA-N 468.401 5.803 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)cc1C 920352583 PSYMCNQTYDEUBN-QFIPXVFZSA-N 480.565 5.208 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c1C 920353765 RMJWGFFDYMCJOV-QFIPXVFZSA-N 480.565 5.208 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1c(C)noc1C 920355011 GYABTYZCTSGVSP-QFIPXVFZSA-N 498.555 5.293 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)n1 920632786 WHFJGHAJRZOJQH-INIZCTEOSA-N 489.322 5.179 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1 920805983 HPSQAPBBSMUBKY-KRWDZBQOSA-N 481.549 6.029 30 20 JKED COc1cc(OC)c(C(=O)/C=C\c2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1Cl 921262278 SGHJQKHPJXYVNL-PLNGDYQASA-N 475.803 5.111 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5[nH]nc(Br)c5c4)CCC3)cc2)C1 1785807860 SECDSPJZIXYXPE-UHFFFAOYSA-N 479.378 5.039 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccc(O)c5cc4OC)CCC3)cc2)C1 1785810441 SOGOLRQVPQQWHF-UHFFFAOYSA-N 456.542 5.268 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCCC(=O)Nc4ccccc4)cc3)CCC2)c1 1786113035 WNIROVBRRLXVTO-UHFFFAOYSA-N 480.568 5.115 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc2)CCC1 1786156701 IJYXVNZVSIYRLU-SFHVURJKSA-N 457.615 5.026 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4sccc4F)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1786522989 FIEGOLVLCNKSID-FQEVSTJZSA-N 499.608 5.201 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)cc2)CCC1 1786789288 ULBAQRAHEKMAKA-SFQUDFHCSA-N 480.612 5.272 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)cc3)CCC2)c1 1787949072 DFYASPYCIVTDBV-LLZJGCNPSA-N 479.584 5.012 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3C)cc2)CCC1 1788360768 CSXNWFZGAVQZTF-UHFFFAOYSA-N 497.595 5.314 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccccc34)CCC2)cc1 1788650036 REXLHFWVUQIZST-OUKQBFOZSA-N 483.593 5.345 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)cc2)CCC1 1789120624 XZFKBAWVYAGLRC-LFYBBSHMSA-N 475.614 5.243 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)NC(=O)CC4)CCC2)cc1 1789458440 ZWMGARDCYWGLNR-HSZRJFAPSA-N 457.574 5.087 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1789513279 WHKIAHGGNXGVOL-PIUCHZKOSA-N 479.024 5.049 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)Cc3cnc4ccccn34)CCC2)cc1)c1ccccc1 1789601978 HQIYHNAJCRRMRZ-HHHXNRCGSA-N 490.607 5.208 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)c(C#N)c1 1790472189 VKZNHATYUWOMTQ-UHFFFAOYSA-N 481.543 5.069 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ccoc45)CCC3)cc2)ccc1F 1790520908 JKROZFQZGXLUNE-UHFFFAOYSA-N 467.500 5.434 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4Cl)CCC3)cc2)cc1 1790707671 ORIICTHJELACLY-UHFFFAOYSA-N 483.959 5.295 30 20 JKED Cn1c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)cc2ccccc21 1790763723 KQBLYELQUIGTAB-UHFFFAOYSA-N 466.516 5.251 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cc(C)cs4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682172 RHRLCFGQUCMCHD-NRFANRHFSA-N 495.645 5.370 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)c1 1792085843 MBVCZLIBZUEJCE-UHFFFAOYSA-N 499.958 5.158 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCSC4)cc3)CCC2)ccc1Br 1792287991 HMKOZDWJLDFEMD-KRWDZBQOSA-N 498.446 5.212 30 20 JKED Cc1ccc(CSCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)cc1 1799307077 KASFSDQQZUCKHT-KOUNCHBCSA-N 482.049 5.095 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Br)c4ccccc4c2)C3)cc1 1799665545 VFTNJQXLFQDOFR-KOUNCHBCSA-N 488.385 5.040 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@](C)(OC)c2cccc3ccccc23)[C@@H]1c1cccnc1 1802433217 WDCKXWLVIFQVQJ-AYGLBXGJSA-N 485.628 5.015 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1F)C1CCC(C(F)(F)F)CC1 1803850463 RFTRADNMPUIYHP-QUZOXXGXSA-N 494.451 5.465 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1 1804863673 LLXIERNMJQZVIN-NZQKXSOJSA-N 450.627 5.019 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)CCc4cccs4)C3)CC2)cc(C(F)(F)F)c1 1807226807 VRFPNMOTSWLERS-UHFFFAOYSA-N 489.563 5.116 30 20 JKED C=CCOCCCC(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)C2)CC1 1809154107 OENHOCSTKIBMSX-BVAGGSTKSA-N 454.655 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810173970 KJURAOPEUAHOID-PLXFJCCSSA-N 496.051 5.610 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cc(F)cc(F)c3)C2)CC1 1810384941 QPZSTQORCAUWKA-UHFFFAOYSA-N 479.571 5.065 30 20 JKED N#CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1811403210 LBGATUXNOPFLFC-SQJMNOBHSA-N 498.549 5.381 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811442913 UVWLLNFKIZTZFV-RBJSKKJNSA-N 469.560 5.011 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1811459840 FEABFBFDDBISQE-WZONZLPQSA-N 490.406 5.616 30 20 JKED CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1)c1ccccc1 1811739468 KUMVQTGEQJRJMK-JCYRPKCISA-N 487.003 5.120 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)ccc2[nH]1 1811749435 WUDOFORLYHLXPB-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812672252 ULPTZMPKVDRPCB-MDNUFGMLSA-N 489.994 5.392 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1812788631 LAHXQXUWSPTRIN-RBLMETTKSA-N 486.660 5.635 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccccc3)CCC2)[C@@H]1c1cccnc1 1812987895 YDIBLWKOGIIKHN-ZCYQVOJMSA-N 459.634 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(SC)cc2)[C@H]1c1cccnc1 1813239287 ULXFUWUZTQDLFF-WIOPSUGQSA-N 465.663 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1813941777 XVKULXXCQQCDEE-FDDCHVKYSA-N 473.951 5.101 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3OC(F)(F)F)[nH]n2)C1 1814397694 SENALUCZJQZJLY-KRWDZBQOSA-N 482.890 5.234 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)cc2F)n[nH]1 1814614755 XNTKZSIQZIJXAG-JXFKEZNVSA-N 489.389 5.386 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C\c2c[nH]c3ccccc23)n[nH]1 1815787505 HDJIRFCERXFSIT-SNGVDCEUSA-N 457.578 5.365 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)c1 1817497696 GWAKILWPNDPACM-WXAJRKQLSA-N 459.575 5.118 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nccc3occc23)n[nH]1)c1ccccc1 1817716140 SLDHGJKWVSBMNQ-NZQKXSOJSA-N 481.556 5.054 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817764720 GKBGMWFIHLQLJI-HTAPYJJXSA-N 461.541 5.129 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(CC)nc3ccc(Cl)cn23)n[nH]1 1817959492 NGQBQRPGJHYNNJ-GHTZIAJQSA-N 495.027 5.348 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(-c3cccnc3)n2)n[nH]1 1818148374 OSTFQSRWBBBYNN-FQEVSTJZSA-N 478.622 5.227 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1)C(F)(F)F 1818165200 HFCIFGXAYGJCAD-KRWDZBQOSA-N 492.885 5.748 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(OC)cc3[nH]2)n[nH]1 1818581647 QOKGSJOSZLFNTP-JOCHJYFZSA-N 463.582 5.198 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc(OC)ccc3n2)n[nH]1 1818664170 KZJIBJSRWCPGAT-HSZRJFAPSA-N 475.593 5.265 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3sc(C)nc3c2)n[nH]1 1818701887 YATVRRNLJKFQAJ-RXVVDRJESA-N 463.607 5.402 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3cc(Cl)ccc23)n[nH]1 1819163709 QHGHANVIZCZQID-OXQOHEQNSA-N 466.973 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)[nH]n1 1819310198 UAQWLDNOMSGICB-KTIWRFAQSA-N 477.653 5.253 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)[nH]n1 1819384293 ILXMCNMQEOEPQO-LJQANCHMSA-N 491.133 5.411 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1)c1ccc(Cl)cc1 1819475784 ZDQVTKADSFFHMO-XPRZIIGNSA-N 496.011 5.207 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)cc1 1819481080 LXLKZAUYYGBTBT-CSLYNHGHSA-N 489.620 5.089 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 1820504942 BNNKGQKZRFVLJZ-INIZCTEOSA-N 457.308 5.234 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1cccc(C(F)(F)F)c1F 1821087393 ZZDGAYURSBERRF-HNNXBMFYSA-N 494.411 5.606 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821364071 GXVICFKVMWDRAG-QFIPXVFZSA-N 450.489 5.237 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2OC)n[nH]1 1821844734 ARUSNQPMJDUUKR-FQEVSTJZSA-N 473.017 5.299 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(Br)cc2F)n[nH]1 1821870196 PAKYSSMUORVSGS-FOIQADDNSA-N 491.405 5.148 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)CCCCC)n[nH]1 1822007338 TUNOWBKFFRTWKW-QKNQBKEWSA-N 489.661 5.088 30 20 JKED CC(C)c1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1 1822138506 MCVDTQHVXXYGLM-RUZDIDTESA-N 469.589 5.148 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(Cl)c1 1823187514 FSXPFAZBUNUVSJ-UZUQRXQVSA-N 475.980 5.618 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)ccc3c2OCO3)CC1 1823752056 KBIHOPFHYIYKAF-HXUWFJFHSA-N 475.029 5.294 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1823753422 NZBNSYBNWHLAHV-NRFANRHFSA-N 487.666 5.299 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1824500125 BNASZNRPECYILF-QFIPXVFZSA-N 498.998 5.158 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1828153444 NQEVMFMTAXHBOE-VWLOTQADSA-N 492.982 5.379 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@H](S)C(C)C)CC3)cc2n1 1828495554 KNDGFCDEFAHMIT-DNQXCXABSA-N 488.097 5.384 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 1828497165 HLHXXYMMAQODTI-JTHBVZDNSA-N 489.701 5.046 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1 1828906831 KFLDWYPFMGOAPO-AHKZPQOWSA-N 494.752 5.051 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 1829064678 IKWNUSZWXQIZOA-HXUWFJFHSA-N 466.453 5.614 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(=O)OCC)c2F)CC1 1829648562 WQUBJCXLSRLASH-XMMPIXPASA-N 484.612 5.004 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830017081 STCJSAYDXOWRKA-XMMPIXPASA-N 480.008 5.157 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830628327 FWGQXIALBUWNQR-QFIPXVFZSA-N 487.522 5.220 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cccnc34)CC2)c(Cl)c1 1830721853 ROLYZOBDGIRIQS-VWLOTQADSA-N 487.003 5.307 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(C)cccc4[nH]3)CC2)c1 1830768981 CPUICLDKEJUFQU-HHHXNRCGSA-N 468.601 5.204 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)cc2s1 1830889233 KJHMOYYULRLFRC-DEOSSOPVSA-N 497.781 5.822 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1831445954 OIWYKYFCDARSCU-HSZRJFAPSA-N 467.560 5.193 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1831562886 YFAITATTYGDHRL-ROSOWXQZSA-N 489.664 5.274 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 1831804523 HDWMJABSPNLVLF-JOCHJYFZSA-N 494.623 5.276 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccs2)CC1)c1ccc(O)cc1 1831924606 IWIWEUCDXYDPBD-SHQCIBLASA-N 492.685 5.203 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1832028405 NNIHSXBQDBQJKX-VGOCBJJDSA-N 475.633 5.003 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Cl)CC2)CC1)c1ccccc1 1838416636 FNOWMNOGRIEMGZ-RUZDIDTESA-N 493.047 5.149 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1847264357 IWTMWSUOFCUJDW-OIBXWCBGSA-N 468.041 5.435 30 20 JKED COc1cc(C#N)cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1 1847619736 JHIMCBDPGWEDGH-JQTNAXFZSA-N 492.019 5.010 30 20 JKED C[C@@H](Sc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)C(=O)Nc1ccccc1C#N 10437716 JAARGVCFGXZLRK-OAHLLOKOSA-N 472.595 5.316 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 11169351 VEJREASSMDUMQZ-UHFFFAOYSA-O 486.548 5.663 30 20 JKED N#Cc1ccccc1/C=C/C(=O)OCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 11184812 LZBPMTDCKGMTEV-VAWYXSNFSA-N 493.441 5.024 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c(C)s1 11250075 XAJYXWHNKWILDW-UHFFFAOYSA-O 457.591 5.860 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)cc1 11262369 MMNRGPCCDADLKK-UHFFFAOYSA-O 460.406 6.161 30 20 JKED COc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)cc1 14830271 BWWWKLLAFTZVSH-UHFFFAOYSA-N 479.561 6.223 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2Cl)c1 14861503 YHSJNHIAMYBZNJ-UHFFFAOYSA-N 475.397 5.935 30 20 JKED CC(C)CCn1c(SC[C@@H](C#N)CCC#N)nnc1-c1cc(-c2ccccc2)nc2ccccc12 15244826 GVZWTHPEVKQDNE-OAQYLSRUSA-N 480.641 6.742 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccccc1OC 21673674 CQTLKICDQGAATI-MSOLQXFVSA-N 450.608 5.773 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)cc1 22690268 WVWWWJSEJXFNFE-UHFFFAOYSA-O 459.563 5.738 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 46810969 XIQXPOCYRFGSER-HSZRJFAPSA-N 453.542 5.155 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)c1 46843289 KNGMXIGVBNQGOS-JOCHJYFZSA-N 487.046 5.760 30 20 JKED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 107813905 BXKXBWUFXAUXQE-CQSZACIVSA-N 471.410 5.374 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 195568804 QGECQSHIZWAKRT-ZDUSSCGKSA-N 465.381 5.547 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 195623830 KYJRLBQICAEAFR-UHFFFAOYSA-N 450.567 6.162 30 20 JKED Cc1nc(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)sc1SCC#N 195647945 AGMHGNCGHNZQMR-GFCCVEGCSA-N 465.025 5.636 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 481902057 RPNIGVXTZHQBQM-UHFFFAOYSA-N 470.234 6.022 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1SC 483358758 YBQZMJAFZCSCNC-UHFFFAOYSA-N 451.529 5.276 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2C(F)(F)F)cc1Cl 484012224 UVWPBTWRMLXKGN-LJQANCHMSA-N 471.866 5.269 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN3c3ncnc4sccc34)cc2Cl)c1 484336215 RPRLOZLVLYKBKU-NRFANRHFSA-N 489.988 5.403 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccnc2)nnc1-c1ccc(Cl)cc1 485790097 RVDSSVRTAPJEFH-QHCPKHFHSA-N 476.005 5.177 30 20 JKED Cc1nc(SCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C#N)c(C)c1C 487994192 QUNATSAHVMALBG-UHFFFAOYSA-N 458.562 5.210 30 20 JKED C=CCn1c(SCc2ccccc2Oc2cccnc2)nnc1[C@@H]1COc2ccccc2O1 496591881 KDIGZEUDZDZXDA-QHCPKHFHSA-N 458.543 5.456 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)c2)cc1 501484506 YDAWUOQQQVYPGA-UHFFFAOYSA-N 481.596 5.142 30 20 JKED Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)c1 503149697 DZPKMNUZQOIWIP-VWNXMTODSA-N 486.959 5.148 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc(-c2ccccc2)cs1 504480372 NPHJEOQGYIEBPD-IBGZPJMESA-N 470.573 6.294 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 505325312 HNXCJAIPZGHOOS-RUZDIDTESA-N 464.525 5.555 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)CC1 506484240 XYFJFPWPPCSAOK-UHFFFAOYSA-N 485.978 5.500 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 508036095 DWHUBIBSYJQQRP-UHFFFAOYSA-N 476.421 5.044 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1 508260037 QEBJRHMEGOVHPH-FQEVSTJZSA-N 488.573 5.018 30 20 JKED CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509895429 DMZTVVRTKQSEOD-UHFFFAOYSA-N 451.473 5.597 30 20 JKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511583921 XRRNRKIZFONJIQ-GOSISDBHSA-N 461.949 5.143 30 20 JKED Cc1cc(-c2noc(CCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)n2)ccc1F 512328631 NOUDZAWTMZDLCL-UHFFFAOYSA-N 472.495 5.357 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 512339925 CABAWYCDTFDJFT-UHFFFAOYSA-N 496.036 5.060 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513173106 XPYVTWNVGBWXCB-KRWDZBQOSA-N 458.440 5.498 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 514000503 YIHWRIBTFAPWIH-UHFFFAOYSA-N 461.565 6.663 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)n1 516795195 XKYGFZBOWBQLTC-HXUWFJFHSA-N 470.554 5.030 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(OCc2ccccn2)c1 517834932 ZOLMPVIKQZVGCN-HXUWFJFHSA-N 492.535 5.140 30 20 JKED N#C[C@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccc(OCc2ccccc2)cc1 517849375 WHUVFGHXPIKURZ-SANMLTNESA-N 465.509 5.213 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 518681642 CSCGPXYHEYKXKO-RBUKOAKNSA-N 477.630 6.130 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccccc1C(F)(F)F 518739169 RFIAZMJFYHMAOP-HNNXBMFYSA-N 472.492 5.206 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 518755977 UHTQGVFMTYUYFH-FQEVSTJZSA-N 486.551 5.470 30 20 JKED Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1 518818948 BXYAZHCDMRAVPL-UHFFFAOYSA-N 461.587 5.242 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(C(F)(F)F)nc2ccccc12 519415610 RAQMNWYVOYZSFE-CYBMUJFWSA-N 462.522 5.774 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)Cn4c([N+](=O)[O-])cnc4C)c3C#N)C(C)(C)C2)o1 520086552 YPAQKJOZWPXJQA-SOFGYWHQSA-N 477.546 5.351 30 20 JKED Cc1cc(NC(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)n(CCC#N)n1 520111936 MTRPGWYPCLRLNL-UHFFFAOYSA-N 473.389 5.432 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 520148039 BNLAMSJQHQILAC-UHFFFAOYSA-N 469.969 6.024 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)cc1 520558013 YUDKVLUVXMLHID-JYFHCDHNSA-N 473.529 5.019 30 20 JKED Cc1nn(-c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c(C)c1Br 521726090 LRKIZSNXNVDOCZ-AWEZNQCLSA-N 469.408 5.756 30 20 JKED COc1cc(C(=O)Nc2ncccc2OCCCC#N)ccc1OCc1ccc(Cl)cc1 524233556 IVHXRXWZGJXHSO-UHFFFAOYSA-N 451.910 5.257 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1I 524385322 UPTQSNOLZRRIJZ-UHFFFAOYSA-N 482.321 5.497 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 588841180 BPECDJLRTHDNKG-UHFFFAOYSA-N 467.912 6.191 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1Cl 603828989 FAYBLWUJQIAYMP-IBGZPJMESA-N 474.870 5.653 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(c4nc5ccccc5s4)C3)cn2)c1 604101061 ZLBMKRXGHCGLLL-GOSISDBHSA-N 455.543 5.210 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)CC1 604288788 SEAJQRVHBQPEJD-UHFFFAOYSA-N 477.952 5.010 30 20 JKED CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 604508673 TVVVKESQLVZVRM-UHFFFAOYSA-N 494.514 5.140 30 20 JKED COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 608841528 RJYQVSGQBURLRR-CLOONOSVSA-N 474.992 5.652 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 608922413 GGVLDRDDFLDNMC-UHFFFAOYSA-N 495.501 5.189 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(Cn2ccnc2)c1 609078525 WMEVKTMNMOSSGP-UHFFFAOYSA-N 451.530 5.012 30 20 JKED CC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc2c(c1)OCCO2 609078991 VMTUEXLLZSNORQ-QHCPKHFHSA-N 457.530 5.490 30 20 JKED CC(C)N(C)CC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609080555 NVNUNKQSOKQKKO-UHFFFAOYSA-N 455.002 5.375 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(F)F 609083193 AHEVFORQNQVNNN-MRXNPFEDSA-N 466.282 5.300 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 609088667 BOUHXGDZODZBJO-ZJSXRUAMSA-N 493.485 5.075 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609163391 KAFDVWQIDKZPNJ-LADGPHEKSA-N 478.017 5.486 30 20 JKED C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609402072 BWWWMEANXJANHL-CQSZACIVSA-N 475.492 5.615 30 20 JKED O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539553 GQIFPEIBDJYVCT-IYBDPMFKSA-N 496.398 6.473 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)NC23CC4CC(CC(C4)C2)C3)cc1 725761554 KNTUMWOPPSNCTD-UHFFFAOYSA-O 490.693 5.459 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1cccc(COC(C)(C)C)c1 726106772 UDGBAODXJWBHDQ-QHCPKHFHSA-N 479.646 5.111 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2c(F)cccc2F)n1 726321034 BVRCZWDYOBPMSV-JTQLQIEISA-N 452.269 5.356 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccc2)cc1F 726410024 FEPSZWYDESDFMZ-QHCPKHFHSA-N 495.551 5.176 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@H](C)c1cccs1 726422293 WEGBCOJPKBZNNH-GORJKJRESA-N 487.647 5.847 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1ccccc1Br 728063127 WRDMPMMBGYWCKB-KRWDZBQOSA-N 464.363 5.647 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)O[C@H](C(=O)Nc3ccccc3)c3ccccc3)o2)cc1 728110824 VHLXYUDWVPOEPU-VWLOTQADSA-N 452.466 5.267 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 728119034 HCFLFNAPGBOSOX-OAQYLSRUSA-N 470.573 5.165 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 729375587 MBUMGWQJUXNLFH-IIBYNOLFSA-N 471.513 5.215 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1=S 729464430 VNMLNMNXVOCBRV-QGZVFWFLSA-N 478.062 5.067 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 730444293 LNYQAIJVGTUHQN-NRFANRHFSA-N 482.993 5.148 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(C)c2)s1 730710607 OQJZZUQBLRWMKS-YLJYHZDGSA-N 479.631 5.185 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731075150 WJENIOHGSFFWOE-CABCVRRESA-N 493.448 5.506 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(F)cc1)c1cccs1 731311842 IAHZGMJTEVEOKU-VVGOASPTSA-N 483.590 5.183 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)CCc2ccco2)c1 731313541 ZCQGFGVUKHVGHC-SBUREZEXSA-N 495.576 5.414 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 731332155 FAAIPFPEQMUQLW-NOMGLIDZSA-N 487.697 5.762 30 20 JKED COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 731345127 APCQBSNNPLBPGM-UHFFFAOYSA-N 473.529 5.605 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 743303891 FDBPQSDMKRGYSM-DEOSSOPVSA-N 490.604 5.994 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3ccsc3)C2=O)cc1 743526971 XJALQJGKWPZOEO-QFIPXVFZSA-N 495.601 5.559 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 744807369 ZNZWGZOALCDVQW-UHFFFAOYSA-N 463.519 5.320 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O 747062576 XNRJRAKHXQFGGF-IZZDOVSWSA-N 483.567 5.363 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)cc1C 747603730 WRMNPYKUBIPSNW-HXUWFJFHSA-N 482.606 5.102 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2c[nH]c3cc(C)ccc23)C1=O 749416013 RHWHAUWEUFEEHI-HXUWFJFHSA-N 489.428 5.093 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c1 799214726 NYOHHARRCFSEGY-LJQANCHMSA-N 463.525 5.443 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 819427515 REIYQPNDSJFIPG-UHFFFAOYSA-N 460.925 5.141 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 837296444 OMJGHYHULAEXBP-BTYIYWSLSA-N 499.423 6.110 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 837703874 HDQVDNHALDCQHZ-IERDGZPVSA-N 464.978 5.457 30 20 JKED N#Cc1c(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)sc2c1CCCC2 863967362 WTXQGNMALVBUNT-UHFFFAOYSA-N 481.687 6.072 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(CC(C)C)s2)c1 872320739 KKFMSXOBCAIDCY-UHFFFAOYSA-N 491.038 5.024 30 20 JKED C=CCn1c(SCc2nc(Cc3ccc(OC)cc3)no2)nnc1-c1ccc(Cl)cc1Cl 904392510 ZYZRFDTVLUYVBM-UHFFFAOYSA-N 488.400 5.713 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccccc1OC(F)F 914542289 CDOYZMXWTULXSB-IBGZPJMESA-N 493.963 5.050 30 20 JKED N#Cc1cccc(COc2cccc(C=Nn3c(S)nnc3SCc3ccccc3)c2)c1 915955329 CWPPHBXXBXCTMZ-UHFFFAOYSA-N 457.584 5.192 30 20 JKED Cc1ccc(NC(=O)C2CC2)cc1N=Cc1cc(Br)cc(Br)c1O 915980129 XIFCKKBAIUKHLH-UHFFFAOYSA-N 452.146 5.325 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)c1 916209532 MLGMRGDQBVPXGB-QFIPXVFZSA-N 481.524 5.134 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1ccccc1C(F)(F)F 916210843 JRJLEXGALPIWGA-NRFANRHFSA-N 498.530 5.303 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 916212007 SUFVWTLLBPUHET-OALUTQOASA-N 478.401 5.133 30 20 JKED COc1ccc(/C=C2\N=C(SCC(=O)[C@H](C#N)c3ccccc3)N(c3cc(C)cc(C)c3)C2=O)cc1 916622818 MYARUDOZNXKXSK-SYQPQHDQSA-N 495.604 5.665 30 20 JKED N#C[C@@H](C(=O)CCn1c2ccccc2c2ccccc21)c1nc(O)c2c3c(sc2n1)CCCC3 916848039 ZIMUFAJZEIRUCY-IBGZPJMESA-N 466.566 5.650 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907376 YLCWKLWUNVNNSG-FQEVSTJZSA-N 487.968 6.525 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916946415 TZFIZBYYWZMNDU-HXUWFJFHSA-N 475.763 5.339 30 20 JKED N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 917043491 KSCHOWPGVUZSST-MRXNPFEDSA-N 455.461 6.169 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917676705 WRDPQPFOUGYAMR-MZKRTTBSSA-N 497.064 5.236 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)CSCc2ccc(C#N)cc2)cs1 919207937 PVEIYDNEIUERQM-UHFFFAOYSA-N 465.600 5.238 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 920105892 HVFLSUBMVPKKEY-IBGZPJMESA-N 472.957 6.044 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3cc(C)on3)C2=O)cc1Cl 920355682 LXIRBNLGQCSKRD-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 920806184 IFDGDTZKTZWYSG-MRXNPFEDSA-N 483.590 6.636 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1nc(-c2c(F)cccc2F)cs1 920806782 PRAQLZCLDSGZCU-FUHWJXTLSA-N 473.504 5.471 30 20 JKED N#CCOc1ccccc1C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 921289326 WATCEPWJMSOUSZ-UHFFFAOYSA-N 456.933 5.068 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785810551 ZGXZQPKGRHTDAN-UHFFFAOYSA-N 475.589 5.748 30 20 JKED CCOc1c(F)cc(C(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)cc1Cl 1785936731 UGKPKZBSFRVWOL-UHFFFAOYSA-N 457.933 5.175 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)c[nH]4)CCC3)cc2)c1 1786041034 ZKTYCDITHVQKTM-UHFFFAOYSA-N 480.490 5.286 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4nc(Cl)ccc4F)cc3)CCC2)cc1 1786987537 DQMMRFDBETYQFJ-UHFFFAOYSA-N 462.912 5.002 30 20 JKED Cc1cc(-c2cc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CC5)cc4)CCC3)n[nH]2)ccc1Cl 1787878496 XDWBRRTXOQEWCR-UHFFFAOYSA-N 473.964 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)SCC(=O)N4)CCC2)cc1 1789451916 VSIQPEXKAHHGLL-OAQYLSRUSA-N 475.614 5.247 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)CCC1 1789687338 SMONKAMXLUIONM-UHFFFAOYSA-N 488.813 5.439 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](F)c4ccccc4)CCC3)cc2)c1 1790072708 HSSBJIDOFXHWIY-XMMPIXPASA-N 457.505 5.025 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@](C)(OC)c3cccc4ccccc34)cc2)CCC1 1790376659 ZXFKPDBSNVPOHI-MUUNZHRXSA-N 454.570 5.249 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)CCC=C(C)C)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1790453793 VAZFZHPWPAWRET-QHCPKHFHSA-N 481.637 5.433 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3F)cc2)CCC1 1790585765 ZHIJUFZUQDARIC-UHFFFAOYSA-N 480.580 5.345 30 20 JKED COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)c1 1790692638 PKUOHLGGNZZYPJ-INIZCTEOSA-N 499.633 5.108 30 20 JKED Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)c2[nH]1 1790707364 KIXDRQMQUYSTFP-UHFFFAOYSA-N 462.553 5.604 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3nc4ccc(Cl)cn4c3C)cc2)CCC1)C(F)(F)F 1790976518 OLXDZPLEGNLWPG-UHFFFAOYSA-N 476.886 5.162 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn(C(C)(C)C)c4)CCC3)cc2)c1 1792122981 GAYDITZSXOHOAP-LJQANCHMSA-N 469.589 5.327 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)cc(C)nc2c1 1797958310 KNLHNJTUXVRTJC-WOZUAGRISA-N 451.998 5.217 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccc(Br)cc3n1)C2 1798335165 YHXNIWUURFBPSY-PLACYPQZSA-N 482.422 5.018 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(C)noc1-c1ccccc1)C2)c1ccccc1 1798553956 WFSXWTYDUVBFQF-XDZVQPMWSA-N 481.596 5.099 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)cc1 1799668176 CIDGUSKLYXXBMQ-BKFWDETESA-N 471.507 5.069 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C2)C(F)(F)F 1801701259 ODFITNAWKURUKA-BCDXTJNWSA-N 497.439 5.138 30 20 JKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cccc3ccccc13)C2 1802313349 VIQKNNCFAUDVGP-WTEVXDJOSA-N 491.632 5.010 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)[C@@H]2c2cccnc2)C1 1802412373 DLFFHWXAGIAEBC-ATIYNZHBSA-N 492.063 5.609 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(F)CCC1 1803431165 IPPXJBHUQQOEJO-LRSLUSHPSA-N 495.680 5.161 30 20 JKED CCc1c(Br)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1 1803685470 WCEGGZNCXQZRSE-RZXSNQJFSA-N 494.433 5.204 30 20 JKED Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)o1 1803853421 YIJSFUTZBNOUKZ-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4ccc(OC)cc34)CC2)C1 1804862066 GJIVRURACAYWLO-UHFFFAOYSA-N 451.611 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2C)[C@@H]1c1cccnc1 1807843217 HRSGRZKKNQUBQX-CUBQBAPOSA-N 496.655 5.764 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)[C@@H]1c1cccnc1)c1ccccc1 1810440016 DYEWEKXTKIWWAL-UODIDJSMSA-N 493.598 5.110 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2F)[C@H]1c1cccnc1)c1ccccc1 1810448820 YGODRCRZFQANRN-QQNWGBJXSA-N 483.587 5.046 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(F)c2)[C@H]1c1cccnc1)c1ccccc1 1810800152 CKZMHCNGSBVDND-FQLPYIGMSA-N 483.587 5.046 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)c1cc2scc(-c3ccccc3)c2[nH]1 1811302897 DNMCUXMBBXIRIV-SKCUWOTOSA-N 494.620 5.024 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1811427877 RAUNUVATBKQSEO-RPFOIHMYSA-N 494.639 5.741 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1)C(F)(F)F 1812303030 ODTOWYVRSQHUPD-FDDCHVKYSA-N 493.485 5.419 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@]2(C)CC=CCC2)[C@@H]1c1cccnc1)c1ccccc1 1813579947 BPMDYJCXGQOJPU-HOSLJWMQSA-N 469.629 5.031 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)[nH]n1 1814442423 MFKDDCPSFTVIGS-JOCHJYFZSA-N 482.625 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cnc3ccccc3c2)n[nH]1 1814728299 OQSFDONHPHNTMV-DHLKQENFSA-N 471.605 5.351 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c1 1814738577 AQXKNXVFEOUABZ-NRFANRHFSA-N 479.943 5.013 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCC(F)(F)CC3)n[nH]2)c1 1815023178 QZFWXSMNZSLCMN-HRAATJIYSA-N 469.536 5.168 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1815118479 LKHMNVFOIOQNTD-VWLOTQADSA-N 477.568 5.049 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815208833 OQQSSGLYAJCSBI-VWLOTQADSA-N 488.588 5.491 30 20 JKED Cc1csc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)c1 1815379056 FHVIKAGJGKDWSQ-SFHVURJKSA-N 487.507 5.290 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc(F)c3)CC2)n[nH]1 1815617411 XVSHZVQGPPSKQW-IFMALSPDSA-N 450.558 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)n[nH]1 1818161989 JYDZLYSHQKSAQQ-WIYYLYMNSA-N 490.633 5.311 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(OC)ccc3o2)n[nH]1 1819002132 CPPYSQWOPPRRIP-FQEVSTJZSA-N 464.566 5.463 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1819305430 UVDXIXKSYJFAKP-ILBGXUMGSA-N 456.590 5.566 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)[nH]n1 1819552973 LXWWNSMHTUMMQG-HXUWFJFHSA-N 491.558 5.441 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)[nH]n1 1819554339 UASWJIOWSAKEBC-SFHVURJKSA-N 468.989 5.189 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2c(C)cccc2C)n[nH]1 1819590753 ZFYRXWXWHFPYKI-NRFANRHFSA-N 452.624 5.005 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(C)c1 1820481812 PUIOPPWWIGPJSQ-NTKDMRAZSA-N 455.562 5.273 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)n[nH]1 1821008918 UNKIFINORDYWOI-JOCHJYFZSA-N 477.609 5.057 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3F)n[nH]2)cc1 1821088145 UKSAXPOSIHOEOW-HXUWFJFHSA-N 499.468 5.253 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)c[nH]c2c1 1821184969 BZYCARKRCXRBJF-LEYIMRRPSA-N 492.583 5.285 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)c1 1821273337 IGJNCTOCFSPDBX-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(CC)CC)n[nH]1 1821754454 VQLUPSUQUOAGLK-UKILVPOCSA-N 479.669 5.477 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](C)Oc2ccccc2)n[nH]1 1821783881 FWEMRTCORYRUGI-XKCSPQBFSA-N 450.583 5.028 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1821984682 XIJLESTUQKLTCZ-IBGZPJMESA-N 480.943 5.126 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2Cl)[nH]n1 1822393120 MRPVRFDIVUUFOW-SFHVURJKSA-N 495.780 5.074 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CC4(CCC4)C3)n[nH]2)cc(C(F)(F)F)c1 1823056852 RJGVVXKEYVWELJ-FQEVSTJZSA-N 485.510 5.186 30 20 JKED CO[C@](C)(C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1cccc2ccccc12 1823715074 VYHBTHZKVDUQJZ-WNJJXGMVSA-N 487.644 5.015 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1824051300 HWINCZXVNSPCQL-LQVOSPDESA-N 494.639 5.305 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1824500167 DUEVXRBNNPNNRP-NDEPHWFRSA-N 492.635 5.709 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1824825900 SOWVBEHBUVWXPN-VHYCJAOWSA-N 489.582 5.089 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1825190537 HGLBMHUYWNOSOJ-NRFANRHFSA-N 479.587 5.255 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1825208901 IFRKUUITFGETDR-RLWLMLJZSA-N 477.674 5.550 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1826510079 JUJIXPJNDDDCCD-VWLOTQADSA-N 497.561 5.247 30 20 JKED CC(C)CN(CC(C)C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC#N)CC1)c1ccccc1 1826693164 KZXKDFIYCZLWJV-XRKRLSELSA-N 494.724 5.265 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c1 1828190691 LZZZPAHSKPBMAO-XMMPIXPASA-N 455.558 5.160 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2F)CC1 1828826690 KBIBWIABJFXENK-PXDATVDWSA-N 451.586 5.309 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492390 SBNFBQSTDSESSF-NDEPHWFRSA-N 490.644 5.695 30 20 JKED COc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc(F)c1F 1830661402 RZVNPIHPKGYWDF-MHECFPHRSA-N 495.570 5.148 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1830787264 WMVDBTOHJXODNH-SANMLTNESA-N 473.617 5.039 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2onc3ccccc23)CC1)c1ccccc1 1830924590 RBQPQXZQWZFBNE-SQHAQQRYSA-N 483.612 5.258 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831238878 GPZUGLJYFURUQQ-JPYJTQIMSA-N 481.464 5.137 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2noc3ccc(Br)cc23)CC1 1831376455 NQTAUIOCMOXLOM-UZLBHIALSA-N 488.426 5.036 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1831447389 LJDPXUAJFBZQTB-KRWDZBQOSA-N 460.899 5.063 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2c(C)cccc2C)CC1)C(F)(F)F 1831451410 TXGOTJLGNGIIQY-HXUWFJFHSA-N 468.585 5.134 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc(Br)c2C)CC1 1832029989 BXOYMTPNPBRCEX-JOCHJYFZSA-N 491.445 5.324 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)Cc3ccco3)CC2)cc1C#N 1832283524 GBJKCOWEZSMSFB-QFQXNSOFSA-N 491.632 5.051 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832679853 AAHFUXVBQZRJJS-GDLZYMKVSA-N 499.655 5.213 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)CC2)c1 1832985173 ILPUIEHSBCJTHP-PSNDRKBRSA-N 469.576 5.293 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CC2)CC1 1838656551 JGEOFMLUHUCEOR-MHZLTWQESA-N 482.571 5.073 30 20 JKED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)cc(C(F)(F)F)c1 1844906089 ADJLYEBWYKKOFA-UHFFFAOYSA-N 482.289 5.015 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 10174550 JRDVSMBFNIGCPQ-UHFFFAOYSA-O 487.595 6.456 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1C#N 10711279 ADNBZBHVURZZKV-JTQLQIEISA-N 450.347 5.043 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(CC)cc2)cc1 11250915 RETYABQQWPFMHS-UHFFFAOYSA-O 467.998 5.418 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 14847787 PPQOWHJFUCYAKE-UHFFFAOYSA-N 488.016 5.686 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(CC#N)cc2)c(C)c1 20055806 WNNJFLSDHGUMPI-UHFFFAOYSA-N 467.598 5.272 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)nnc1-c1ccc(C(C)(C)C)cc1 21475487 UOQWMLINRWNAIZ-MRXNPFEDSA-N 476.602 5.123 30 20 JKED CCn1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1cc(-c2ccccc2)nc2ccccc12 22565914 VTOKVOZHVCMOSR-HMILPKGGSA-N 498.656 5.715 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(N(C)C)cc2)s1 22733141 WRLFYUCITASCAP-UHFFFAOYSA-O 465.451 5.768 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2ccc(C(F)(F)F)cc21 23941424 NOWZEMULZLLLPG-UHFFFAOYSA-N 464.538 5.812 30 20 JKED C[C@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1cccc(Cl)c1Cl 24345001 OVMVXZRLHDKENP-LBPRGKRZSA-N 486.384 5.214 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)Nc4sc5c(c4C#N)CCCC5)c(=O)c23)cc1 26005160 XTEWGGRGOFPGSO-UHFFFAOYSA-N 474.611 5.274 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1/C(O)=N/c1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 30571082 BHALRMFWWRYTRQ-TXEJJXNPSA-N 481.405 5.659 30 20 JKED C=CCn1c(SCc2nccn2C(F)F)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 31698601 GGXHBWYAYDEYNA-UHFFFAOYSA-N 462.522 5.642 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1Cl 303044283 WXMYOQOIJKRLTA-HSZRJFAPSA-N 485.927 5.858 30 20 JKED N#C[C@@H](NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1cccc(Cl)c1Cl 303297918 CCKVTPPMSWLVHT-GOSISDBHSA-N 469.353 5.670 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)nnn1-c1ccc(F)c(Cl)c1 303370297 JTHOPNKPXOXCMM-UHFFFAOYSA-N 461.884 5.071 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1OC(F)F 481109967 QTGHHTQUKBCEAG-OAQYLSRUSA-N 497.473 5.084 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(-n2cccn2)cc1C(F)(F)F 482358837 DZROTPHUHNKXKU-UHFFFAOYSA-N 497.317 5.946 30 20 JKED Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)C2)cc1 486279314 HVLRHLDHSDKCBM-QHCPKHFHSA-N 498.631 5.063 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1C 494414793 WBNQDUVYIPNCIY-UHFFFAOYSA-N 456.546 5.765 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 500041417 IUMIMEUJBBDHDZ-UHFFFAOYSA-N 467.353 5.316 30 20 JKED C=CCn1c(SCC(=O)N(CC(C)C)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 500228801 NHAGUPAQMONDEX-UHFFFAOYSA-N 466.010 5.437 30 20 JKED CCCCOc1ccc([C@@H](C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1OC 501460362 FUZHYYHGWWEBLC-GOSISDBHSA-N 492.576 5.088 30 20 JKED N#Cc1cn(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)c2ccccc2c1=O 502585223 NDAIHVILERYYTE-UHFFFAOYSA-N 490.382 5.426 30 20 JKED N#Cc1cn(CC(=O)Nc2ccccc2Sc2ccccc2)c2ccc(Br)cc2c1=O 502816701 DSZIVWNXMMMJGB-UHFFFAOYSA-N 490.382 5.426 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 505530926 WRWDGVQARKBDJA-IRLDBZIGSA-N 452.501 6.155 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510508864 SIDORRMFACSDES-UHFFFAOYSA-N 451.530 5.534 30 20 JKED C=CCN(C(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 511504811 JBMSRJWIVCKCGZ-UHFFFAOYSA-N 496.552 5.593 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 513347290 HQGCOHAGDSXWHN-UHFFFAOYSA-N 479.437 5.142 30 20 JKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)sc2nc(C(F)(F)F)ccc12 515448849 ACXFEPFFSZTRIX-UHFFFAOYSA-N 480.471 6.000 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2cccc(Cl)c2)n1 518131405 MOAZFJQYYBGFEO-HNNXBMFYSA-N 458.008 6.261 30 20 JKED C=CCN(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 518255569 PYKZJPBFBISHEK-ZDUSSCGKSA-N 450.852 5.116 30 20 JKED CSc1nnc(CCCNC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1C1CCCC1 518683196 LWLKBJOLJCGILP-INIZCTEOSA-N 458.657 5.121 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O 519415407 MHTVJFIMCKKVRI-FNZWTVRRSA-N 498.608 5.225 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519441050 CEGLKWGPARCPMF-UHFFFAOYSA-N 490.334 5.615 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1 520502412 VWBKFILKOPYCTE-QHCPKHFHSA-N 487.581 5.099 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 520930768 JZKCNZKPDRWSRN-GOSISDBHSA-N 453.583 5.177 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 523648358 HIGHJOXNJSVXFL-UHFFFAOYSA-N 462.509 5.010 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 524440298 FYVRSICQSWWQKP-UHFFFAOYSA-N 497.382 5.855 30 20 JKED Cc1c(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cnn1-c1cccc(C(F)(F)F)c1 568426315 XYUHQEVYXPKNDG-SFHVURJKSA-N 468.357 5.093 30 20 JKED CC(C)(C)c1cc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n(Cc2ccccc2)n1 603617637 FCDNPWYOETVEQI-UHFFFAOYSA-N 498.587 5.204 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)c2)c1 603702659 GMQNZNDWSRJQHB-MHZLTWQESA-N 495.966 5.635 30 20 JKED COc1cc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1OC(F)F 603748541 FKWOETGNFPUNHM-UHFFFAOYSA-N 467.472 5.263 30 20 JKED COCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](C)c1cccc(C(F)(F)F)c1 603956643 XXPKMHQGFZOYKR-QGZVFWFLSA-N 472.463 5.599 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)c2)c1 603995954 YAJULFZJEFZCPZ-UHFFFAOYSA-N 498.546 5.370 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)cc2Cl)cc1 604027419 YUFZZYOGCGFBGA-UHFFFAOYSA-N 472.932 6.000 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Cl 604139478 VHBGZGMCBCAZGZ-FQEVSTJZSA-N 471.866 5.269 30 20 JKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)CC3 604218098 HULKTIBAAUFIBC-JOCHJYFZSA-N 482.971 5.309 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1C 608967834 MSLAPMXZYFSRPE-UHFFFAOYSA-N 466.507 5.561 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 609000957 FLYHDLXXSMOZEV-RUZDIDTESA-N 457.574 5.481 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)COc1cccc(NC(=O)C2CC2)c1 609151694 QAGZCWUHPRMZEF-UHFFFAOYSA-N 459.933 5.172 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 609191968 PXTPIMLNZOJMTE-UHFFFAOYSA-N 456.384 5.032 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 609206879 KSANGKJDTQSGCI-UHFFFAOYSA-N 466.501 5.207 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 609377838 PJWFBPICBNRHMK-HNNXBMFYSA-N 471.376 6.125 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 609413898 VEHIXIKQTKJWBS-UHFFFAOYSA-N 469.335 5.580 30 20 JKED Cc1nc(-c2ccccc2)sc1CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609439552 SUCNMHXASKAHCV-UHFFFAOYSA-N 468.538 5.037 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1 613290269 AAVUNZNZMYEYSL-DEOSSOPVSA-N 458.521 5.645 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1-c1ccc(F)cc1F 613320038 QWDMIQAIPOSCOE-INIZCTEOSA-N 454.889 5.726 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(Cc1ccccc1C(F)(F)F)C1CC1 616090141 MCDGNBOTVDHFLL-STQMWFEESA-N 476.383 6.289 30 20 JKED O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301595 SMMGXLOYXBQFHC-PHIMTYICSA-N 456.333 5.142 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 642158346 QURQURSMKSUNFB-KBPBESRZSA-N 491.398 5.343 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 726077979 AKCYCCNSULEOIO-UHFFFAOYSA-N 473.936 5.429 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726118421 MVGZDPIUANOUKT-IIBYNOLFSA-N 497.646 5.003 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1oc2ccccc2c1CSc1ncccn1 726321702 OBZYPQRPGPVOPR-OAHLLOKOSA-N 497.363 5.783 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1F 726413174 WHDZXHGDBMKWCB-NYHFZMIOSA-N 496.539 5.090 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 726414794 FAWRFBKJPXLGSN-CYFREDJKSA-N 488.613 5.590 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc3c(c2)CCCC3)[n+]2ccc3c(c2)CCCC3)C=C1 726570265 ZVEFGTDTVXWVNO-UHFFFAOYSA-O 484.645 5.238 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc3c(c2)CCCC3)c1 726573581 KYEDOKKMPDEPBB-UHFFFAOYSA-O 456.547 5.066 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NC2CCOCC2)[n+]2ccc(C(C)(C)C)cc2)C=C1 727815450 KIRLSAUQIPPCDX-UHFFFAOYSA-O 496.697 5.048 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2c[nH]c3cc(Cl)ccc23)n(Cc2ccc(F)cc2)c1C 727913700 WJIYVTIQCAJCBK-UHFFFAOYSA-N 492.938 5.023 30 20 JKED CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 727987493 MEURGDYYUVQMOV-SOIYMVPVSA-N 453.995 5.192 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 728062607 QGEIRGOZQQGZMA-CQSZACIVSA-N 485.327 5.791 30 20 JKED C[C@@H](Cc1ccccc1Cl)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728139315 ODFQNQKRGIUSEA-INIZCTEOSA-N 482.367 5.130 30 20 JKED CC(C)(C)C(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)C1 729069260 DUHVQAMVJWHVRC-IQKSBBQZSA-N 453.652 5.072 30 20 JKED CC(C)(C)C(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)C1 729069268 DUHVQAMVJWHVRC-XDAHFPJKSA-N 453.652 5.072 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)nc2)ccc1Cl 729173231 OQXPFCVNZKPGBJ-UHFFFAOYSA-N 496.803 5.675 30 20 JKED COc1cccc([C@H](C#N)NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1OC 729427532 MAQMSOOAWASREF-OFVILXPXSA-N 466.990 5.561 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(Cl)c1 729634150 IVONJQQPCMHGPB-JOCHJYFZSA-N 489.988 5.076 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 729888327 DJNAIHPJFSOJQQ-QHCPKHFHSA-N 498.970 5.481 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730942382 OCDGXAXMHNXIQM-HTAPYJJXSA-N 479.005 5.765 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Br)cnc1Cl 730996673 YLNRUPAUYDQZAQ-UHFFFAOYSA-N 464.694 5.774 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)COc1ccc2oc3c(c2c1)CCCC3 731060938 NPMUCKPZZBVYSA-KRWDZBQOSA-N 478.570 5.267 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Br 731069798 IWBMJJFIQNGSAR-GFCCVEGCSA-N 467.772 5.150 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 731407479 WDLNXLJUEHUZRG-KXBFYZLASA-N 461.509 5.402 30 20 JKED O=C(/C=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 745625922 GQSRNQSKRZZKQW-CSKARUKUSA-N 464.861 5.893 30 20 JKED CC(=NNc1ccccc1C(F)(F)F)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 751373923 PTRMXUUSJVXDCT-QFIPXVFZSA-N 481.478 5.303 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 837284939 HGQXXFYVKZFKPD-CJAUYULYSA-N 498.583 6.095 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCN(C2CC2)CC1 837285527 OTBNLWUUKRWQTP-QHCPKHFHSA-N 494.636 5.030 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3ccccn3)C2=O)cc1 837707543 LPWORBRQVWTFKH-VGOFRKELSA-N 479.005 5.765 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2F)C1=O 837740129 KNRHQGMRNDDHPI-JOCHJYFZSA-N 481.524 5.134 30 20 JKED C[C@H](OC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 878166894 JABJCHWIZSYRDT-LURJTMIESA-N 459.314 5.178 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)s2)cc1 912984137 IGZSXIFKJPOPMR-QHCPKHFHSA-N 496.621 5.648 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 914838390 BUMGNOKBSDDGHL-INIZCTEOSA-N 492.428 5.117 30 20 JKED C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)C1 915086562 LSJNBFDBIBNPRY-FNZWTVRRSA-N 473.598 5.015 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CC3CCC3)C2=O)c1 915111679 ONDCLPYIGRKUAI-OAQYLSRUSA-N 488.009 5.118 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cs1 915180576 PCWKKVIHIIUSFY-XMMPIXPASA-N 455.608 6.652 30 20 JKED N#CCOc1cccc(NC(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)c1 915710478 BMVNAAGEMNVOSC-UHFFFAOYSA-N 466.994 5.321 30 20 JKED Cc1ccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2-c2ccc(C)cc2)cc1 915794878 SIAVXMKLLJGMEZ-UHFFFAOYSA-N 454.603 5.456 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1 916210403 CZXSSVGPMXVLAE-XMMPIXPASA-N 472.614 5.476 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccn2)C1=O 916210927 IMKJRWDXILTQJR-NRFANRHFSA-N 499.423 5.857 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCCC2)C1=O 916211979 SQQLNNVTOSLYSV-FQEVSTJZSA-N 457.983 5.252 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1 916215432 VOUNJXBIVCXWSC-IBGZPJMESA-N 461.509 5.391 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)cc1 916215581 XTLXLIQPUDTOGO-LJQANCHMSA-N 472.408 5.134 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2C)c1 916216827 ZQCLUSHLQHTWQX-XMMPIXPASA-N 489.597 5.173 30 20 JKED Cc1sc2ncn(N=Cc3sc(Nc4ccccc4)nc3Cl)c(=O)c2c1-c1ccccc1 916283854 WZLGPKVNHVGNAU-UHFFFAOYSA-N 478.002 6.169 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C)nc2)c1 916400162 UQNBFPAWYXKLHJ-UHFFFAOYSA-N 490.412 5.008 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 916904151 XLMKGAZXFVAVIK-DEOSSOPVSA-N 478.552 5.798 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc1OC 916934766 JPFVFQPOZMFOAY-MRXNPFEDSA-N 475.353 5.700 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916976534 RJTZIJDDHZRQSE-LJQANCHMSA-N 481.002 5.626 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 917024873 BIDXIWQDHPQCAW-NRFANRHFSA-N 451.555 5.432 30 20 JKED N#C[C@@H](C(=O)Cc1cc(F)cc2c1OCOC2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031125 PLRRGRFGPHTJCM-QPKOWOFHSA-N 452.551 5.035 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)c1 917044963 WGLAAYAEQXDASL-QFBILLFUSA-N 485.531 5.661 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2cc(Cl)ccc2s1 917045371 YRYIHEDEUDHHJZ-INIZCTEOSA-N 461.033 6.074 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2cccs2)cc1F 917543170 HJWLOAHLFJJJMQ-UHFFFAOYSA-N 454.552 5.294 30 20 JKED Sc1nnc(-c2cccc(Br)c2)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 917594997 TUHZPWLNUJCZIT-UHFFFAOYSA-N 476.812 5.655 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(-c3ccccc3)cc2)cc1 917613974 VYPPRHYUZQSTLR-UHFFFAOYSA-O 476.625 6.789 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2F)cc1 917662836 DQGWGBMGNVJSBI-JOCHJYFZSA-N 494.498 5.136 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)c1-c1ccc(F)cc1 917784681 YYOOIMREPXIERS-UHFFFAOYSA-N 455.580 5.255 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@H](C#N)Cc2ccccc2)cc1Cl 917900119 YPMJLULQTPKPTC-ORTNRGLGSA-N 480.014 6.022 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)C2)c1 918126455 BMGOAJVTGBCYNC-ZEQKJWHPSA-N 452.558 5.533 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2cc(Br)cs2)n1 918486967 NSRJZDLIIPRBNO-HNNXBMFYSA-N 482.384 5.748 30 20 JKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 918983108 VACUAYDNWDRMHT-AAOUONPWSA-N 477.323 5.082 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2cc(C)on2)C1=O 920354185 ZZTNVUJTQVBYSZ-NRFANRHFSA-N 498.992 5.114 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccc(OCC(F)(F)F)cc2)C1=O 920359692 QAUGVMMMRZHPAU-HXUWFJFHSA-N 493.551 5.019 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC2CCC2)cc1 920926958 ALWJJBFOUOCZPN-HXUWFJFHSA-N 491.535 5.474 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cccnc2SCc2c(C)noc2C)c1 924594958 JULDASHGVPUNEU-HXUWFJFHSA-N 492.601 5.088 30 20 JKED COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCCN(C)C1CCCCC1 1697275952 JDENBTLHLDGAHU-GOSISDBHSA-N 459.038 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CCO2)C1 1779243462 YESFYSUOEFEQJL-SSEXGKCCSA-N 487.644 5.250 30 20 JKED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)CCCCCCCCc3ccccc3)C2)C1 1785485791 SVXBNJNPFPFYQK-SANMLTNESA-N 476.608 5.001 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)CC)cc2)CCC1 1786255375 DMNWCOONSSVTNW-GHTZIAJQSA-N 457.615 5.026 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4OCCc5ccccc54)cc3)CCC2)c1 1786314392 NKWYIJXWJFGNEH-KMRXNPHXSA-N 493.607 5.765 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1)C(F)(F)F 1788312239 NBMQURPAJZZHCV-UHFFFAOYSA-N 479.911 5.816 30 20 JKED C[C@H]1CCc2c(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)n[nH]c21 1789010183 FPSRARTTWZXBEG-ROUUACIJSA-N 467.573 5.148 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](O)c3ccccc3Cl)CCC2)cc1 1789458315 WDNYYEQADKEENX-NZQKXSOJSA-N 452.982 5.276 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CNc4ccccc4O3)cc2)CCC1 1789472820 SBRPBZXDGZGYBE-XZOQPEGZSA-N 459.590 5.152 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1 1789579760 XJCMHDRELMVGQE-AMVVHIIESA-N 487.453 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3OC)CCC2)cc1 1789622239 FCMZCEARSRNRQN-UHFFFAOYSA-N 450.579 5.201 30 20 JKED CCCC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)ON=C(C)C)CCC3)cc2)cc1C 1790054733 GOOVLDYZHPVXMM-HXUWFJFHSA-N 492.620 5.282 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5[nH]ccc5s4)CCC3)cc2)c1 1790073269 XSNWOTOBALAFND-UHFFFAOYSA-N 470.554 5.171 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4)CCC3)cc2)c1Cl 1790081802 PEIPXPIBBYKBEV-UHFFFAOYSA-N 469.932 5.101 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)CCCC5=O)CCC3)cc2)c1 1790257088 GJPFWLXKPDZSAH-UHFFFAOYSA-N 463.537 5.139 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(F)F)cc3Cl)CCC2)cc1 1790565730 AZYOVPODIFEAJG-HNNXBMFYSA-N 493.938 5.490 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3ccc4ncccc4c3)CCC2)cc1)C(F)(F)F 1791303680 ZDLBWKODMLXYAS-UHFFFAOYSA-N 453.464 5.030 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)C4CC(C)(C)C4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1791650730 IVNXLJYGUMSYQK-QFIPXVFZSA-N 481.637 5.122 30 20 JKED CO[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1)c1ccccc1 1792122337 KEKIHCZBYHUZBS-FQRUVTKNSA-N 467.569 5.449 30 20 JKED O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(Cl)cccc3s1)C2)c1cccs1 1796894502 SIPMXCCTUROBFQ-FOMCXPQXSA-N 485.030 5.307 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4cc(Br)ccc4c2)C3)cc1 1799666345 SHUPMMJXCRTHOR-BKFWDETESA-N 488.385 5.040 30 20 JKED Cc1c(Cl)ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)c1Cl 1800691553 WPWDVQBQHZIIHJ-MUJYYYPQSA-N 476.791 5.393 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1ccc(C#N)cc1)C2 1800787779 FPIHYJBWIBBCRE-ACDBMABISA-N 470.400 5.058 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Cc1cccc(Br)c1 1802060972 OZPSIXWVJYKBGA-GBCNUAAFSA-N 473.455 5.034 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2F)[C@H]1c1cccnc1 1802491112 GCIKSOSSGXHREA-UTRDGYRGSA-N 467.560 5.071 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(C)cs2)[C@@H]1c1cccnc1 1802492505 QFCOJUZGESQIJQ-ZJSXRUAMSA-N 453.652 5.083 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)C1 1806016565 VXTRCSBOHQDKPV-UHFFFAOYSA-N 481.464 5.140 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)CCC4CCCC4)C3)CC2)cc1C#N 1808954346 SALVDBBGQWQKDY-UHFFFAOYSA-N 465.638 5.161 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810077069 NTSKMMHMSGCUBC-DFIYOIEZSA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1810177291 DMRNSRVMBXFLFC-YZUZCNPQSA-N 451.998 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1810181726 JXPFNHDFLYPABI-JWZKTCGFSA-N 493.607 6.069 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)s1 1811361495 YHMPNMPFWVQDIL-RDGATRHJSA-N 486.641 5.140 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1811796214 NFVUTWRTNLEZTE-PQHLKRTFSA-N 494.639 5.248 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1813833472 NLLXHLRZVGGAKM-NFBKMPQASA-N 454.014 5.355 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1813864751 CNCLKRVRVLBOOH-BRBPODBZSA-N 498.627 5.541 30 20 JKED N#CCCC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814161937 NMURYWHDCUOQBT-BHBYDHKZSA-N 488.676 5.755 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)c3ccc(Cl)cc3)n[nH]2)c1 1814659348 GRDFGYFIXLVGOT-HJPURHCSSA-N 491.979 5.053 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)[nH]n1 1814830037 NEEUGXZWIXKMTC-HRBBJJPOSA-N 466.557 5.031 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)noc2-c2ccccc2)n[nH]1 1818145024 OIOOQDNEDKKLAL-RBBKRZOGSA-N 473.577 5.447 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3cc(Cl)ccc23)n[nH]1 1819161524 DMGHGSNNMWHOLS-LJQANCHMSA-N 468.989 5.238 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[nH]n1 1819305729 YEBVMIUPYWSTGE-DFTHGDFUSA-N 487.648 5.548 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)nc2)n[nH]1 1820036394 WWDSTPBPSKMCPO-RCZVLFRGSA-N 469.589 5.546 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@](C)(OC)c2cccc3ccccc23)n[nH]1 1820703687 BPOBPXZYFYQKKR-VAVYLYDRSA-N 486.616 5.310 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occc3c2O)n[nH]1 1821501775 ACBFUMFCEQMJNB-OAQYLSRUSA-N 492.652 5.219 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(CC)CC)n[nH]1 1821754455 VQLUPSUQUOAGLK-ZCYQVOJMSA-N 479.669 5.477 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2Br)[nH]n1 1821926384 OTXKCBNGIKEBHK-AUUYWEPGSA-N 493.833 5.273 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1)c1ccc(O)cc1 1822021187 LJOFSRMEQXAXHR-YRHADEBDSA-N 488.632 5.131 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(F)CCCCC3)[nH]n2)c1 1823214354 CEKXGXCVWFJEJW-LAUBAEHRSA-N 451.546 5.015 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823603307 XDRLIKAPZKLTKY-CPJSRVTESA-N 474.605 5.087 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)cc1)C(F)(F)F 1823887859 QAJPEURRKOJGDB-PGRDOPGGSA-N 477.571 5.064 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1823888539 NKDSKNXCWOTUQT-GOSISDBHSA-N 458.027 5.338 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1824861983 PYJVGXSMYVUBPC-WGHVJBFBSA-N 490.619 5.220 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1824962585 NTCLAGHLHMEBIO-IBGZPJMESA-N 489.896 5.799 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)s3)CC2)cc(C(F)(F)F)c1 1825350532 AONWWBMHRHTOKD-IBGZPJMESA-N 493.526 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1827509031 KRZKUJBPUCXUFI-DEOSSOPVSA-N 483.056 5.509 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cs2)CC1 1827724069 YSTMYTZHMSOYKA-WOJBJXKFSA-N 479.484 5.512 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734778 KQFXFNYYNPKRTO-JXFKEZNVSA-N 461.027 5.152 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1)c1ccc(O)cc1 1827985780 CSZLIQGMZBDQIP-GMAHTHKFSA-N 483.008 5.069 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)cc1 1828150905 YDGCVFOQXOHBPJ-AREMUKBSSA-N 489.019 5.169 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1828744052 AWIDXFFIKROLGD-VWLOTQADSA-N 489.019 5.434 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1828823803 BIBKWAMKSYENLG-SQHAQQRYSA-N 490.648 5.087 30 20 JKED CC(C)c1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)co1 1828903603 CERRRVGDVUGZIZ-HSZRJFAPSA-N 471.718 5.082 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1)c1ccccc1 1829029308 AWJZNNHFOTUDLS-CCDWMCETSA-N 470.604 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829581676 DDGRMMSVZFCPRR-ISKFKSNPSA-N 489.685 6.156 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829607536 CDNVPWYSIILAAG-HSZRJFAPSA-N 489.664 5.232 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)c1 1829779852 IIHWCQTWJHNMJY-HSZRJFAPSA-N 487.431 5.059 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)cc3F)CC2)c1 1829950075 ANXPGVCBVBPPHI-QHCPKHFHSA-N 498.396 5.007 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c(C)c1 1829950890 PVBUYPNNPBLROP-YSESTWPTSA-N 464.631 5.037 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1830015188 UQCORORRAOZESG-NDEPHWFRSA-N 478.596 5.167 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830600206 YTHPORPGLWLBBC-AREMUKBSSA-N 491.607 5.422 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1Cl 1830661577 FFVNNKPOLTUBBX-IRLDBZIGSA-N 485.065 5.066 30 20 JKED CCc1ccnc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830756060 RDQVSTFXOQZUEV-DEOSSOPVSA-N 498.549 5.082 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)CC1 1831241130 DZSJLTVBDZIYCQ-RPWUZVMVSA-N 473.057 5.279 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1831370216 HRFBLXQXEAJJKL-JXFKEZNVSA-N 460.043 5.395 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1831745314 QXYOPHRHRUVGRE-MHZLTWQESA-N 489.685 5.424 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)CC2)c1 1832632208 MOTATKWCMDBPGN-ZSOAFQODSA-N 499.680 5.435 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C)CC1)NC(=O)OC(C)(C)C 1832757000 NFLBXXQJHGTWPX-NOZRDPDXSA-N 497.680 5.088 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1836697368 KKDBPTVABDEFKH-UHFFFAOYSA-N 480.674 5.590 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(OC2CCN(C(=O)c3ccsc3)CC2)CC1 1837407498 ARZUCAZERZPQBA-UHFFFAOYSA-N 498.648 5.074 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)C34CCC(CC3)CC4)CC2)CC1 1838390608 QCENNHDSOCAEQP-UHFFFAOYSA-N 486.773 5.007 30 20 JKED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)cc1 1847215613 XWOCTIYAFJKWBW-HPUNYJORSA-N 499.561 5.204 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Cl)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 11159032 RLMUHSXPKJZNER-UHFFFAOYSA-O 492.398 6.489 30 20 JKED O=C(C[C@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1ccc2ccccc2c1 15231784 RJKUVLWIXYFSCX-RUZDIDTESA-N 481.577 5.667 30 20 JKED O=C(C[C@@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1cccc2ccccc12 15231821 XXTSJGLTFBHMBZ-VWLOTQADSA-N 481.577 5.667 30 20 JKED Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 16792737 FFGNUKIQBUAFAH-IBGZPJMESA-N 487.581 5.090 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)n(-c2ccc(F)cc2)c1C 22187206 HNXIYOIHIOHKKB-UHFFFAOYSA-N 486.576 5.294 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1ccc2c(c1)CCCC2)c1cc(F)ccc1F 22730287 VCECREGFTVHXAR-UHFFFAOYSA-O 489.514 5.783 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C)s2)=C(\S)Nc2ccc(OC(F)(F)F)cc2)c1 22731744 DCKZWCKRNZOVCE-UHFFFAOYSA-O 451.515 5.602 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)cc1 23413013 VNFLLLKBVSHUPV-LJQANCHMSA-N 457.559 5.263 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc2sc(-c3ccccc3)cc2c1=O 23559809 OZMJLVMAOWMNPK-UHFFFAOYSA-N 492.582 5.258 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 23603848 UFYURUBBCGMIBK-UHFFFAOYSA-O 485.633 5.828 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1 23608219 SWSXLOFLGPIEOM-IBGZPJMESA-N 478.643 5.652 30 20 JKED COc1cccc(NCc2nnc(SCCC(=O)Nc3ccccc3C#N)n2C2CCCCC2)c1 24899888 KTKCQASDOPHOHA-UHFFFAOYSA-N 490.633 5.397 30 20 JKED CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2cc3ccccc3cc2c1=O 31747390 TYVGREGAUYHTPV-CQSZACIVSA-N 474.611 5.111 30 20 JKED C=CCN(C(=O)[C@@H](C)OC[C@@H]1CCCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 109234238 CCRSBRUODFBUOZ-ZBFHGGJFSA-N 455.407 5.610 30 20 JKED COc1cc([C@@H](C#N)NC(=O)/C=C/c2cc(C)n(C3CCCCC3)c2C)cc(OC)c1OC 110569720 YIHLULSCSUIAQB-VDZCTEQFSA-N 451.567 5.030 30 20 JKED N#CCCN(C(=O)CCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccccc1 110942866 VVGJLINWOMFGFK-XMMPIXPASA-N 499.014 5.796 30 20 JKED COc1ccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4F)n3)ccc2c1 208894961 PTOSYTGELBWQDT-YFHOEESVSA-N 464.493 6.164 30 20 JKED COc1cc(/C=C\C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)ccc1OCc1c(C)noc1C 209937671 RMILXIHEFIWGHC-WSCHBXBGSA-N 486.355 5.580 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 303291764 BFVGTDJXPYWJGE-APWZRJJASA-N 466.657 5.994 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 409476968 UTIGFEFTYCKMCM-HXUWFJFHSA-N 491.792 5.462 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 410382633 MKEPCFMVCRUMNM-IBGZPJMESA-N 496.592 5.385 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 410398976 SKMVJLBQHWVKNH-GOSISDBHSA-N 482.565 5.598 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 492207654 KRIKXFYXGUZETC-UHFFFAOYSA-N 479.602 5.651 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(F)ccc1OC[C@@H]1CCCO1 502405109 IJSLVASVTZBLCJ-HNNXBMFYSA-N 481.364 5.439 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCN2CCc3sccc3C2)cc1Cl 506274506 WESXTPPLDRXHPM-NRFANRHFSA-N 450.995 5.237 30 20 JKED COc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1OC 509456339 XVYHLZYDBBMWJV-UHFFFAOYSA-N 492.535 6.139 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 509710359 CWRUCDKVCHHSPJ-BAOGPQIGSA-N 454.530 5.642 30 20 JKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510011062 SSVUEIOLZJKKFT-QFIPXVFZSA-N 460.965 5.660 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 510504950 CSARSGXYTBKJNQ-OAQYLSRUSA-N 482.584 5.636 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)c1nc(-c2ccccc2)cs1 514768826 AJGJLTDTHDBSIW-UHFFFAOYSA-N 465.582 5.900 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCc4c(Cl)cccc43)cc2Cl)cc1 516729619 DUGGULJGLLPRDQ-NRFANRHFSA-N 466.324 5.400 30 20 JKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3SC[C@@H](C)C#N)[C@@H](c3ccco3)C2)cc1 517455636 WUCDZJNVQWPNGF-WMZHIEFXSA-N 458.587 5.630 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 517795672 KMLREGUCIUZETI-SNVBAGLBSA-N 473.004 5.604 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 520826409 SUXSZFIGKHPUFT-HUUCEWRRSA-N 466.632 5.345 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)c2)cc1 521492602 XCYYKDHDNNEXAR-UHFFFAOYSA-N 487.512 5.543 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 521715255 LALLAULTZDNRNN-UHFFFAOYSA-N 472.545 5.411 30 20 JKED Cc1nc(CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc1-c1ccc(Br)cc1 521799575 AUKTTWMJEKQDCH-HNNXBMFYSA-N 484.419 6.378 30 20 JKED O=C(NC[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)Nc1cccc(F)c1 524274138 ZEKKWYJTKBFPDC-ZDUSSCGKSA-N 491.407 5.537 30 20 JKED N#Cc1c(NC(=O)CCN2CCC(Oc3ccc(F)cc3F)CC2)sc2c1CCCCC2 549865724 UNMOQSUZCFJSRN-UHFFFAOYSA-N 459.562 5.039 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 553455265 MQPRBEWNOORYIZ-QGZVFWFLSA-N 489.563 5.524 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1cccc(Cl)c1 596343712 JMPAXDRAVXAXOV-GOSISDBHSA-N 468.026 5.663 30 20 JKED CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)s1 603637564 GIIRRODSGZZWEJ-UHFFFAOYSA-N 488.594 5.211 30 20 JKED CCN(C(=O)c1ccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)cn1)[C@@H](C)c1ccc(C#N)cc1 603737456 INFPMPUTVMXDAM-RTWAWAEBSA-N 479.584 5.272 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)cn2)cc1 603764348 MJOYGFDTHMLOGE-OAQYLSRUSA-N 481.339 5.296 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 603831120 QOFYSNCUITUIJO-UHFFFAOYSA-N 454.357 6.302 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 603831535 LWNDRORAIDXVOL-UHFFFAOYSA-N 494.595 5.420 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(CCc3ccccn3)Cc3ccc(F)cc3)c2)c1 608892007 XMPCMCUFNJJAIX-UHFFFAOYSA-N 493.542 5.621 30 20 JKED C[C@H]1Sc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)cc2NC1=O 609062609 DFCRBZRJWATRKH-CQSZACIVSA-N 463.946 5.476 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 609078273 HWMDJCAEASLAAY-IBGZPJMESA-N 468.557 5.677 30 20 JKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609080806 VBAGPDKGBLSZFI-SFHVURJKSA-N 490.991 5.641 30 20 JKED Cc1ccc2c(Cl)c(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)sc2c1 609163168 VLYUAKVYHKPZGO-UHFFFAOYSA-N 467.957 5.004 30 20 JKED COc1cccc(/C=C(\CC(=O)NCc2ccc(C#N)cc2F)c2nc3ccccc3s2)c1 609229648 GSMQDWSXBGUOHQ-RGVLZGJSSA-N 457.530 5.563 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)cc2)c1 609427017 HZPWTASONPSVSQ-MHZLTWQESA-N 475.504 5.545 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 613392475 SGQIADIWARLIMD-KRWDZBQOSA-N 477.998 6.576 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1OC(F)F 616355044 XXIVYJZIVFGSMT-VIFPVBQESA-N 470.316 5.142 30 20 JKED O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618464271 GGYSUGFSSFBXCQ-RKDXNWHRSA-N 463.749 5.110 30 20 JKED CCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 619930426 MEFBASZROGWJLB-QWRGUYRKSA-N 452.317 5.699 30 20 JKED C=CCOc1c(Br)cc(CNc2ccc(Cl)c(S(C)(=O)=O)c2)cc1OCC 630059151 VTCUFLVATBRJQP-UHFFFAOYSA-N 474.804 5.082 30 20 JKED COc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1Br 642282011 CAADPRZBNJHZNB-NSHDSACASA-N 455.255 5.576 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(Cl)c3SC(F)F)CC2)c1 726078281 FWQIBGZZAKCTNS-UHFFFAOYSA-N 464.925 5.409 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccsc2)cn1 726110332 FTVKOJXTDKAVOQ-IBGZPJMESA-N 488.038 5.087 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(CC[C@H](C)OC)C2=O)cc1Cl 726401976 VDCPAXNYRZSZPG-HRAATJIYSA-N 490.025 5.042 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)cc1F 726410266 GUNWHRFYEBRZLT-LJQANCHMSA-N 497.514 5.469 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cs1 726426192 QUVZYCXGPVTRNP-UHFFFAOYSA-N 497.424 6.183 30 20 JKED COc1cc(OC)cc(Oc2ccc(/C=C(\C(=O)C(=O)O)c3ccc4ccccc4n3)cc2)c1 728156565 JVIVLAYLDNFGNQ-QRVIBDJDSA-N 455.466 5.239 30 20 JKED COC1(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 729319432 KKIKGTHEFPCVNG-OAQYLSRUSA-N 483.996 5.350 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)c1 729380147 UMSYRDCHYKSHLL-UHFFFAOYSA-N 498.539 5.868 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ncccc3C)C2=O)cc1Cl 729633807 GIHJDHDPVOXROC-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCS(=O)(=O)Nc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 729635173 GKFWAJQSWUBRNB-UHFFFAOYSA-N 465.604 5.264 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1sc2cc(Br)ccc2c1Cl 729888377 DXOWMPUUJYBYFH-ZDUSSCGKSA-N 468.159 5.932 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730458963 DDYGAODJDXKLMR-SFHVURJKSA-N 483.462 5.496 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O 730460085 URRDJGSTENOTTI-NRFANRHFSA-N 455.555 5.127 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cnccn2)C(=O)N1[C@H](c1ccccc1)C1CC1)c1cccs1 730729140 JFTZJICKDINYGS-NSHPKVISSA-N 491.642 5.079 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)C4=COCCC4)c3C#N)C(C)(C)C2)o1 730851087 QHDRSEBUWSDTSW-VQHVLOKHSA-N 478.570 5.475 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 730936324 FDYLHUILOBOYQS-UHFFFAOYSA-N 497.020 5.162 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 730943624 HNHDWXYWBQIILF-UQBPGWFLSA-N 480.593 5.956 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]c2ccc(Br)cc12 731067921 LUMNXMOGBFIGEU-CYBMUJFWSA-N 472.364 5.120 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731068678 CVGUADVMJGWWKK-AWEZNQCLSA-N 486.018 5.962 30 20 JKED COc1cc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731073566 FOXZFZIJOFOLMS-INIZCTEOSA-N 466.584 5.613 30 20 JKED C=CCN(C(=O)COC(=O)[C@H](C)CSC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 731390311 WBCYTRLURIVJCG-GFCCVEGCSA-N 459.420 5.178 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(Cl)cc1 746164847 CQHGMWCGDJFJHI-CYBMUJFWSA-N 487.994 5.293 30 20 JKED COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)cc(Br)c1OCc1ccccc1 746686892 ORKWZWAQWGYTMA-KTKRTIGZSA-N 455.352 5.710 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 747016892 GWEBGQYKDXAEFG-BJKOFHAPSA-N 475.495 5.076 30 20 JKED CCc1ccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)s1 747200395 HEYBDKQWRMLGKN-FLIBITNWSA-N 455.963 5.886 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cscn3)C2=O)cc1 747600647 CBAINNKYEFCGRN-FQEVSTJZSA-N 485.034 5.574 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccc(Sc3ccncc3)cc2)CC1 749525990 BCLFRMLYKPWIIR-UHFFFAOYSA-N 472.526 5.174 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1ccccc1C(F)(F)F 799219777 XREWFLFRACSGRH-HNNXBMFYSA-N 493.404 5.367 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CC(F)(F)F)C1=O 799222085 XIPSLOHHTDKYSR-KRWDZBQOSA-N 485.915 5.180 30 20 JKED C[C@H]1CN(Cc2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)C[C@H](C)O1 833079670 WFRIVSLMFOYAQJ-IRXDYDNUSA-N 464.616 5.027 30 20 JKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2nc(O)[nH]c2c1 834826085 ASWMTIXYEZWYBD-WTKPLQERSA-N 452.297 5.724 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCN(C(C)C)CC2)cc1 837835071 CZFVHLRRVQVUTE-DEOSSOPVSA-N 478.662 5.137 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 914547686 ZQZQINLFSXSGAY-HSZRJFAPSA-N 495.551 5.272 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 914552451 BGNVVGBZQAIKCW-DVECYGJZSA-N 472.614 5.043 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N([C@@H](C)Cc2ccco2)C1=O 914690884 ILNZHJKXUPSUKQ-MBSDFSHPSA-N 477.586 5.188 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1 915099961 IPHHLGCMMIHCAZ-NRFANRHFSA-N 494.016 5.509 30 20 JKED Cc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc(C)c1OCc1ccccn1 915944785 VEDUPHKCFMHJCR-UHFFFAOYSA-N 480.593 5.906 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(Cl)s2)ccc1OCCn1c([N+](=O)[O-])cnc1C 916135772 RQXLPUHFQZVRPZ-XQRVVYSFSA-N 461.927 5.188 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1ccccc1F 916205289 OFIIJEHZVUHSPA-OAQYLSRUSA-N 451.498 5.125 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccccn3)C2=O)c1 916215480 WPDDGSRYTQCNRW-QFIPXVFZSA-N 479.005 5.512 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cs1 916310003 QTUSCDGEURJNAM-UHFFFAOYSA-N 485.594 5.457 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 916901032 WSJCIFRORFQEJX-LPHOPBHVSA-N 463.921 5.153 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3c(CC)cccc3CC)cs2)cc1 916907135 LDBWRRLLHANOSL-QFIPXVFZSA-N 461.587 5.224 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1OC 916927654 AJLGGWNYFDQCRW-CYBMUJFWSA-N 476.341 5.095 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1Cl 916936820 ACOBXXBAFWMNGQ-QGZVFWFLSA-N 499.379 5.672 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cs2)cc1 916975285 WXRVYQURZHPKTD-NRFANRHFSA-N 459.596 6.060 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cs1 917558981 BPURQCQFAZFWKD-FLIBITNWSA-N 476.485 5.821 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2ccc(C)cc2)C=C1 917611167 VGXLFZIRYLSEPT-UHFFFAOYSA-O 454.575 5.529 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cccc(C)n2)C1=O 917671218 PVJQUWUXZPVBHY-DEOSSOPVSA-N 488.613 5.176 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ccc(C#N)cc1 917694406 HJBLVPSLSIEKDU-VWLOTQADSA-N 498.608 5.344 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cccc(C)n3)C2=O)c1 917696961 QZHQXYCIFWPCON-HSZRJFAPSA-N 494.567 5.446 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O)Nc1ccccc1F 917700870 KHLNTOMEHCNWLC-DEOSSOPVSA-N 484.556 5.534 30 20 JKED C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1=O 918710838 GKQPBJOTPHYFSZ-JOCHJYFZSA-N 472.492 5.106 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 919903183 KQHWSULJDKXJCX-UHFFFAOYSA-N 454.530 5.217 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 920111317 LYUWQPVQEMAPEF-BCHFMIIMSA-N 451.526 5.612 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C[C@@H](NC(C)=O)c3ccc(Br)cc3)n2)cc1 920140584 AHONEVRKHJONLO-WOJBJXKFSA-N 498.402 5.025 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)n2)cc1 920142497 KNBBGJUTFZKMMZ-XUVXKRRUSA-N 471.607 6.355 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(OC)c(OC)c4)n3)n2)cc1 920143286 OMXKYNUBRPHZKL-IBGZPJMESA-N 491.594 5.378 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)cc1 920357771 WEWDDCJBJDDSEP-JOCHJYFZSA-N 497.020 5.668 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1csc(-c2ccc(Cl)s2)n1 920676193 QLVVWGUQLVPUFL-ZDUSSCGKSA-N 475.979 5.026 30 20 JKED N#C[C@@H](C(=O)COc1ccc(F)cc1Br)c1nc(-c2c(F)cccc2F)cs1 920803758 BNPSZBVUFGEOEX-NSHDSACASA-N 467.266 5.245 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 920977564 PLUYJXFALNWKHG-MRXNPFEDSA-N 476.920 5.843 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)cc3)CCC2)cc1 1785936715 FKXKXMNCCKYJCF-UHFFFAOYSA-N 456.521 5.185 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c(Cl)c1OC 1785957183 YODORNGWCAATPV-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCCCCCCCCCc3ccccc3)C[C@@H]21 1786705245 OSAKGPBPSUXQBY-KCHLEUMXSA-N 495.708 5.414 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3CCN(Cc4ccccn4)CC3)cc2)CCC1 1786928878 CXQDZDNVXJANAZ-UHFFFAOYSA-N 488.676 5.420 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)C3(c4cccc(Br)c4)CCCC3)CCC2)cc1 1787888848 HIFMSZHBAHLTLY-UHFFFAOYSA-N 494.433 5.699 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CNc4ccccc43)cc2)CCC1)c1ccc(O)cc1 1788048463 JAIIARGYKYRMHH-AJTFRIOCSA-N 493.607 5.233 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CCCc3cccnc3)CCC2)cc1 1788648854 XMELABKEHYSATA-BUHFOSPRSA-N 473.598 5.039 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789188924 DVZQEALCBNSVPM-SFTDATJTSA-N 483.653 5.370 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)cc2)CCC1 1789293289 HMNRHPPDHPDKHE-UHFFFAOYSA-N 488.535 5.020 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5ncc(C(F)(F)F)cc45)cc3)CCC2)C1 1789293590 LTGUJJJYWFHYDI-UHFFFAOYSA-N 468.479 5.296 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccn4)nc4ncccc34)cc2)CCC1 1790015152 NVRTVUXCFCUHMG-UHFFFAOYSA-N 489.579 5.243 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ncccc45)CCC3)cc2)c1 1790073187 QFRFOSYZTIPYDV-UHFFFAOYSA-N 476.536 5.177 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCN(c4ccccn4)CC3)cc2)CCC1 1790378272 WWHCPFYEORDGAU-VWLOTQADSA-N 472.633 5.201 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)CCCC5=O)CCC3)cc2)ccc1F 1790520338 ORLFPCJMRFQBGY-UHFFFAOYSA-N 495.554 5.207 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)c1 1790772369 KOYYCJFMIMKBAM-UHFFFAOYSA-N 480.540 5.224 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)cc3F)cc2)CCC1 1790796379 AXCDXWUNQKSSEX-UHFFFAOYSA-N 456.583 5.280 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4cc(OC)ccc34)CCC2)cc1 1791296503 WZHDDBCXXADVPF-UHFFFAOYSA-N 467.516 5.065 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)CC1 1791376114 QWSXDKACWIVBPP-ZBIWLSHRSA-N 452.643 5.055 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@]34CCN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791422843 NCDWGULGNKPEJJ-AMGIVPHBSA-N 481.637 5.124 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(-c5nccs5)noc4c3)CCC2)cc1 1791576195 WOUPVBVALGMKDK-AWEZNQCLSA-N 478.599 5.017 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccoc3C)CCC2)cc1)c1ccc(O)cc1 1791646422 NSBKYEIFKDVBAM-OAQYLSRUSA-N 456.542 5.239 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccn5)[nH]n4)CCC3)cc2)c1 1792124629 BKJKDEWXLZTKHO-LJQANCHMSA-N 490.567 5.160 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)cc1Cl 1792142643 AULOCEHUBASDNI-UHFFFAOYSA-N 499.958 5.158 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C\C=C\C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204569 IVMCTPCLZAMFKO-QPAQNOOCSA-N 467.610 5.112 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@](C)(OC)c1cccc3ccccc13)C2 1798335366 JHTFLXLUGKZRAW-DPMSPMENSA-N 460.618 5.108 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(-c4ccccc4)cn4ccccc24)C3)cc1 1800543741 YQIBIHYJDZEERL-OOSCYNTBSA-N 488.591 5.238 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(s2)CCCC4)C3)cc(C(F)(F)F)c1 1800740715 GUHSPAYENHVTDF-ACDBMABISA-N 487.547 5.083 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1802389329 DKYSCXXZCFIBBL-DGPALRBDSA-N 494.639 5.104 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1803092473 VUPIIIHOYHBIDL-NSOVKSMOSA-N 480.612 5.232 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)C4(c5ccccc5)CCCC4)CC3)C2)c1 1805323464 DETOQHHBOPATGI-UHFFFAOYSA-N 483.656 5.234 30 20 JKED CC(C)(C)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1806307002 DUSZCTBCJAHDMZ-XRKRLSELSA-N 479.624 5.237 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)oc3cc(O)ccc23)[C@H]1c1cccnc1 1809277540 HODJJHLXZFXVNG-NBGIEHNGSA-N 475.589 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1810174080 RGFGLWSOUJCHGI-ROKPMTFOSA-N 494.060 6.038 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(OC)c3)C2)CC1 1810341742 SNDSWHYZJYSLLY-UHFFFAOYSA-N 487.644 5.370 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(C)s2)[C@@H]1c1cccnc1 1810502281 GPRKPRAHHINLIN-LSCLZPPHSA-N 451.636 5.163 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1813229375 MEARUVUMLDVIQC-YADARESESA-N 472.416 5.210 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1813955236 QUCVTPJXTKHKNG-XUZZJYLKSA-N 485.550 5.497 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813955909 YOSBJROHKCXWSO-LOSJGSFVSA-N 475.539 5.280 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1814066872 FMLPFWLZNYPLLR-KNQBKSORSA-N 477.571 5.225 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cncc2Cl)n[nH]1 1814365395 ODAJIAIONJZGLE-KDOFPFPSSA-N 462.381 5.186 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)c2s1 1814379846 VYUXWMSPIHFPMS-QHCPKHFHSA-N 498.612 5.138 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(CC=C)CC=C)n[nH]1 1814830215 RRJZUQBHCCXZCO-IRLDBZIGSA-N 499.656 5.030 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@@H](S)C(C)C)n[nH]3)sc2c1 1815249567 YYGFBUSPTLPRTH-UTKZUKDTSA-N 456.637 5.193 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CCCCC3(F)F)n[nH]2)c1Cl 1815352275 LIXAVHODHHFZLR-AEFFLSMTSA-N 475.927 5.066 30 20 JKED Cc1csc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)c1 1815379044 CYXOAMQBMGKDGG-SFHVURJKSA-N 498.406 5.034 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1 1817744295 SFMUDWFROUQXEU-RUZDIDTESA-N 490.567 5.272 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3ccc(Br)cc23)n[nH]1 1818664186 LRTAFLYLOGTVSB-NRFANRHFSA-N 496.409 5.153 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ncoc3c2)n[nH]1)c1ccccc1 1818748958 SCMNIWXSLIYIEU-XUZZJYLKSA-N 481.556 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)[nH]n1 1819554071 CQLBEPBOXKCEID-QHCPKHFHSA-N 461.610 5.508 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1819555457 HTVKNUQEWQNGKZ-OAQYLSRUSA-N 451.546 5.328 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3SCc3ccccc3)n[nH]2)C1 1820002573 HNDDVAWGAAMGJQ-HSZRJFAPSA-N 487.629 5.369 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)[nH]n2)cc1 1820549891 VFMCAKSKSRBICG-GIWBLDEGSA-N 473.964 5.044 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)n[nH]2)C1 1821007309 QBYROIPAJHOFOL-AHWVRZQESA-N 490.554 5.880 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)(C)C)cc3)[nH]n2)c1 1821325749 OJPDVYQCAOPMEY-XMMPIXPASA-N 485.588 5.387 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccccc3Br)CC2)[nH]n1 1821922784 AKLJJKIFNFIGJJ-OXJNMPFZSA-N 485.426 5.108 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2Br)[nH]n1 1821926387 OTXKCBNGIKEBHK-LIRRHRJNSA-N 493.833 5.273 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1822400506 NVTIEBFWVSMRFR-UWJYYQICSA-N 465.985 5.233 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)[nH]n1 1822580203 VKSSZLKTRAJEQL-OAQYLSRUSA-N 461.591 5.033 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1822581957 DONKGSOVKBPPEI-GOSISDBHSA-N 464.463 5.067 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)[nH]n2)c1 1823211944 CZQKRNNDSRORRK-VLIAUNLRSA-N 497.386 5.358 30 20 JKED COc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)cc2ccccc2c1Cl 1823379049 WSNLAZFQLPQWIB-HXUWFJFHSA-N 491.979 5.225 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)c2ccccc12 1823382666 LLAVNOJHJYTHRW-DEOSSOPVSA-N 469.589 5.190 30 20 JKED COc1ccc2oc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)cc2c1 1823684057 XTNPOOOOSBMQHS-SANMLTNESA-N 499.611 5.179 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824413958 SAPVNFXIQZBMLY-NRFANRHFSA-N 466.931 5.006 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1824500863 HYANEYYCSRFXQL-NDEPHWFRSA-N 474.645 5.570 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1824540139 GHKLEBXHLOPDRX-OFNKIYASSA-N 483.703 5.342 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)CC2)cc1C#N 1828047509 IHKXHDFKNYDAPF-MHZLTWQESA-N 498.627 5.374 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1829519941 BGJPGSDBMBDJNL-LJAQVGFWSA-N 492.623 5.476 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(C)cc(C)cc3C)CC2)c1 1829684803 WVRLTYTUGRNYKA-AREMUKBSSA-N 473.617 5.039 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)[nH]c2c(Cl)cccc12 1829952529 PSBYSORGFKQMOR-DEOSSOPVSA-N 489.019 5.549 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829976027 SXCMENBJUJJMLL-HRAATJIYSA-N 468.425 5.028 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492672 XMINHPYQOVCCOJ-CUNXSJBXSA-N 476.617 5.303 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccc(Br)cc2)CC1 1831367914 VANMBWRUJFOWKH-WMZHIEFXSA-N 491.470 5.050 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831374537 FNZRPEAPQZIDDA-YIXXDRMTSA-N 483.656 6.052 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1)C(F)(F)F 1831452846 DQARJARTPBOTGA-QGZVFWFLSA-N 480.424 5.196 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1831520817 YHSJGYUNDGGJPB-ZOBSEURRSA-N 478.658 5.048 30 20 JKED Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832629145 KPUSWTVZDAUJFW-LXFBAYGMSA-N 471.645 5.488 30 20 JKED CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1)c1ccccc1 1832635175 WGZFNYUFRBIVPV-KKVCJECGSA-N 471.645 5.741 30 20 JKED COc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1832635791 SEJSHNCJTZYLKZ-FQRUVTKNSA-N 473.617 5.178 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832730930 BXCUILHACKAUDK-DVECYGJZSA-N 456.602 5.060 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCCCc2ccccc2)CC1 1832861963 BSWJSBJFQQEGKN-MHZLTWQESA-N 465.682 5.883 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1836883823 POLKFAMEMJUOHZ-SANMLTNESA-N 494.657 5.153 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1SCc1ccccc1 1847264299 KKBGPJCJPCKJEP-GOTSBHOMSA-N 463.647 5.182 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1 1847268143 ZVWSVIVECCMWBB-QKDODKLFSA-N 473.661 5.054 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccccc2CC)cc1 10174247 NWSYLPIDMMZUDF-UHFFFAOYSA-O 465.642 6.817 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2cccc(CO)c2)c(Cl)c1 10178761 KFNCBMXCMMYMHS-UHFFFAOYSA-O 461.941 5.066 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836464 PCRVDINPONDYLN-UHFFFAOYSA-O 488.416 5.665 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1cccc(Br)c1 11125724 RFMRATYCZXDTTC-UHFFFAOYSA-O 478.391 5.646 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)c(C)c2)cc1 11161093 GGCRDJMVTCAYQW-UHFFFAOYSA-O 467.605 6.824 30 20 JKED C=CCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nc2scc(-c3cccs3)c2c1=O 11383078 AOANHABPGQUVFQ-UHFFFAOYSA-N 484.672 5.149 30 20 JKED C=CCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1nc(-c2ccccc2)cs1 14723701 XAXURZGDBFRFGB-UHFFFAOYSA-N 477.611 5.713 30 20 JKED C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(Br)cc1 17703825 FNQNCSSJHMOMBZ-IBGZPJMESA-N 469.408 5.006 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(OC)cc3)o2)nc2cc(-c3ccccc3)sc2c1=O 18336792 XMFZESLSZGXKAJ-UHFFFAOYSA-N 488.594 5.662 30 20 JKED C[C@H](Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)C(=O)N(CCC#N)c1ccccc1 22181128 JVWZDKYRHLRJOB-AWEZNQCLSA-N 493.536 5.608 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(C(CC)CC)cc2)cc1 22731033 SNJIDBATIQOZCS-UHFFFAOYSA-O 451.681 6.861 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Br)c2)cc1 22732566 OJUXACOOKKTZFG-UHFFFAOYSA-O 476.366 5.628 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccncc1 23338882 FPBVKGLPTGIBPI-IBGZPJMESA-N 486.576 5.204 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 23518764 XCZGGJAVZCSMJP-OALUTQOASA-N 494.636 5.419 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nnc1-c1ccc(OC)cc1 23554276 FLWCWNBQTWWYCP-UHFFFAOYSA-N 487.610 5.397 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(N(C)C)cc2)c(Cl)c1 23604665 LKXRNXOFFYUJGB-UHFFFAOYSA-O 456.035 5.306 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nc2ccccc2c1=O 28387281 FDHLYMOYNOTYEW-HSZRJFAPSA-N 486.553 5.271 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2F)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28610628 GRULHMBSRKMYBP-UHFFFAOYSA-N 483.565 5.628 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(C(C)(C)C)cc2)c1C 28793457 SMAJEKYFWQEASN-UHFFFAOYSA-O 476.666 6.087 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc3c(c2)CCCC3)cc1 28793750 OOYSVMRRPRTDFT-UHFFFAOYSA-O 490.649 5.450 30 20 JKED COc1ccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)cc1OC 169310183 PENJNWUNTMPZMH-QHKWOANTSA-N 458.510 5.513 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2Cc2ccco2)c1 254955005 GBLHERDPWXEITQ-FQEVSTJZSA-N 498.402 5.511 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCCc2nc(-c3ccc(OC)cc3)no2)c1 303214250 SHEUZLRMKNKUNG-UHFFFAOYSA-N 457.555 5.344 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 303332983 WVRDTJXHNJZZJI-LJQANCHMSA-N 470.573 6.111 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc(NC(=O)C4CCC4)c3)c2)cc1 410281691 APOBCSQUXPPTAG-UHFFFAOYSA-N 468.557 5.392 30 20 JKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1SCCCCC#N 410339649 ZFWDLQFYLKLNIM-UHFFFAOYSA-N 470.598 6.308 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(F)cc1C(F)(F)F 479606782 DPXCBWSGPGTMPN-UHFFFAOYSA-N 456.339 5.180 30 20 JKED N#C[C@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc(-c2c(F)cccc2F)cs1 481880745 WDJYLPBULMCYBX-OAHLLOKOSA-N 491.441 5.724 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 483270032 OCBZDOJWUITQRH-WINIVTDRSA-N 473.548 5.159 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)C(C)C)c1 488648605 WVXGYTJCESEBTN-UHFFFAOYSA-N 484.021 5.167 30 20 JKED Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2sccc2C#N)c1 497978825 BNGITMSVYGIOLI-UHFFFAOYSA-N 481.599 5.147 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cc1 502508968 JYTGGYUTZMNANO-UHFFFAOYSA-N 494.414 5.123 30 20 JKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 503076669 SMMAHLVYIRUALL-UHFFFAOYSA-N 490.614 5.175 30 20 JKED COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCCCCC#N)cc(OC)c1OC 505086190 FHJZRRCTAJLMOV-XDJHFCHBSA-N 471.557 5.171 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)[C@H](C)c1ccc(C#N)cc1 509578930 KFKXZSAQPLJTKM-GOSISDBHSA-N 490.401 5.725 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 512493804 LBRZLDKIHNZSLM-MRXNPFEDSA-N 482.359 5.342 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(N3CCCCC3=O)c2)c1 512928003 VVIVXAVPOTWPJW-UHFFFAOYSA-N 484.581 5.058 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)cc1 513027815 PKLDRDCUPZXSHP-UHFFFAOYSA-N 498.583 5.731 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 515911550 VDEUDHKNQABNBH-UHFFFAOYSA-N 464.525 5.879 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 516345538 SUTYXGXPQXMHKA-QGZVFWFLSA-N 497.473 5.416 30 20 JKED CCCCCn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2ccccc2c1=O 516713899 MMBMKDVMNKSFPI-OAQYLSRUSA-N 467.554 5.072 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 517461354 GVBGRNSJJLOLDL-GAJHUEQPSA-N 481.415 6.460 30 20 JKED Cc1ccc(I)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 518233734 MRGWCWLOSRKWLL-UHFFFAOYSA-N 454.267 5.516 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccc([C@@H](C)CC)cc1)c1cccs1 518580722 XNBFXLSEUMZZSN-XDHUDOTRSA-N 461.587 5.376 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 518646383 JUGAMWCHZMGRAJ-UHFFFAOYSA-N 486.871 5.767 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 518661891 LODSDOLKAIXJMG-INIZCTEOSA-N 469.563 5.131 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(OC)c1 518739105 NYSDPNVRRRNMMU-IBGZPJMESA-N 499.636 6.818 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 518739285 WVIUTPMVZYGJBU-RDJZCZTQSA-N 461.509 5.087 30 20 JKED COc1ccc(COCc2cccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)c2)cc1 520011151 VWPTUKICLUVWSQ-UHFFFAOYSA-N 461.587 5.335 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 520889707 PHHHWCXGNKJJQY-HXUWFJFHSA-N 451.979 5.946 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 523185068 MPLAUNNNVYQCNI-FQEVSTJZSA-N 472.564 5.594 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 524572667 LPWYXHPOSXJJLC-HXUWFJFHSA-N 492.359 5.236 30 20 JKED CC(=O)N1CCc2c(sc3nc(-c4c[nH]c5cc(F)ccc45)c(C#N)c(-c4ccc(C)cc4)c23)C1 543444189 FYCQYYLMXHIOAW-UHFFFAOYSA-N 480.568 6.335 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c1 589385020 VOXTYBQFWGMWRB-UHFFFAOYSA-N 452.620 5.777 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)c2C#N)C1 602755788 OFJOTXFOZIKBLS-CYBMUJFWSA-N 475.957 5.451 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)nc(O)c2c1C 603621936 DRPXGTAAMMELAO-OAHLLOKOSA-N 491.598 5.333 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)s2)cc1 603650372 VYGPNFIBXKGQFM-UHFFFAOYSA-N 499.562 5.364 30 20 JKED N#Cc1cccc(CNC(=O)c2ccc(Oc3ccc(C(=O)NCc4cccc(C#N)c4)cc3)cc2)c1 603737272 JAUFXMHOILIQSF-UHFFFAOYSA-N 486.531 5.082 30 20 JKED CC(C)(C)[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)c1cccs1 603908357 PLBPWCVKXULWOD-QHCPKHFHSA-N 488.638 5.315 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCc2nc(-c3cc(Br)cs3)no2)n1 604112830 KDAKNNGXIJVEDL-UHFFFAOYSA-N 461.288 5.447 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 604131698 HNABCNVEWHLEIW-BTYIYWSLSA-N 485.893 5.830 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC 604502447 KWRFEDMBFDSETQ-UHFFFAOYSA-N 463.509 5.487 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 608844921 AVUILZRBSUVXPF-DEOSSOPVSA-N 495.501 5.608 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)cc2F)c1 609110048 DMTXGYQHEINEFX-HHHXNRCGSA-N 479.511 5.386 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1)c1ccccc1 609421628 SIXUBFPFDBAEQE-UHFFFAOYSA-N 455.493 5.035 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 609435243 AJRGJXMAANWHHX-GFCCVEGCSA-N 457.909 5.382 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 609439979 XUEPQEANSGSTSJ-OALUTQOASA-N 491.588 5.615 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1Cc1ccccn1 613346285 GLUOJMNQFINIFV-FQEVSTJZSA-N 481.408 6.469 30 20 JKED N#C[C@@H](C(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1nc2cc(C(F)(F)F)ccc2s1 613404083 JNWUPHGJNZICRX-ZDUSSCGKSA-N 499.561 5.041 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nc2cc(Cl)ccc2c1=O 613817049 SKQPGYOPZOULOI-OAHLLOKOSA-N 467.978 5.294 30 20 JKED C=CCn1c(SCc2csc(-c3ncccn3)n2)nc2cc(-c3ccccc3)sc2c1=O 613959820 BDZIYSARIUMOEZ-UHFFFAOYSA-N 475.624 5.517 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301240 MCEFJIOVMYEQHC-TXEJJXNPSA-N 470.410 5.373 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 642252168 PEELWUOBWQFBLE-AREMUKBSSA-N 484.625 5.844 30 20 JKED C=CCn1c(S[C@H](C(N)=O)c2ccccc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 648086944 ZFQZXVGWZSIHRO-FQEVSTJZSA-N 465.575 5.077 30 20 JKED C=CCn1c(SCC(=O)OCc2cccc(NC(C)=O)c2)nnc1-c1ccc(Cl)cc1Cl 725910904 VKZSBHIZFHYUPX-UHFFFAOYSA-N 491.400 5.232 30 20 JKED Cc1cc(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c2cc(Br)ccc2n1 725976294 IXTUJZUJYLZCRE-UHFFFAOYSA-N 486.753 5.063 30 20 JKED C[C@H](OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 725994945 SDKVPLNMXDZHHM-NSHDSACASA-N 479.867 5.538 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 725995771 LOGMZNQJJJRAJS-INIZCTEOSA-N 487.503 5.630 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 726321358 HNUFZORQMVARHH-MRXNPFEDSA-N 483.286 5.605 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 726322669 ZFALKMKTJCXDAM-QVKFZJNVSA-N 485.531 6.232 30 20 JKED CC(C)COC(=O)N1CCC(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 726322872 ZOJNEYILDBXLQY-QGZVFWFLSA-N 480.417 5.798 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)N1C1CC1)c1cccs1 726418796 FRONCVVVWCIPAX-NJHYVEEWSA-N 481.615 5.615 30 20 JKED C[N+](C)=c1ccn(/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)cc2)cc1 726570518 CSEAUIVVYJHGTE-UHFFFAOYSA-O 470.405 5.022 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)c(C)c(C)c2C)cc1 726570716 IWGZMDACJSXHPY-UHFFFAOYSA-O 491.080 7.009 30 20 JKED N#C[C@@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 727627232 CWWVRMKKPVZQCC-ZDUSSCGKSA-N 458.383 6.023 30 20 JKED COC1CCN(c2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2C(F)(F)F)CC1 728009527 GQADZMYLGQWVKE-HSZRJFAPSA-N 475.511 5.234 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 728780287 PSOCRWOHDKWOJU-LJQANCHMSA-N 493.391 5.787 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCCC#N)C1=O 728780601 VBMNUEPJSNUDNE-OAQYLSRUSA-N 479.993 5.174 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H]2CCc3c(C)cccc32)C1=O 729630845 DVAJGZVKAVMVTB-RTBURBONSA-N 475.586 5.065 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ncccc3C)C2=O)c1 729634955 XTGMLBNIOOEBOC-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@@H](C)C2 730685815 ITYXCMPNGPSRRA-SOUCHZLYSA-N 486.540 5.174 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2cc(C)sc2C)c1 730726748 JEUHESZQJUVOIR-YWZLYKJASA-N 497.621 5.324 30 20 JKED N#Cc1ccccc1NC(=S)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 730737847 QZOOGPTYKKRCNQ-UHFFFAOYSA-N 454.477 5.316 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)no2)c2ccccc21 730858334 ALYDNEKFZTZARZ-UHFFFAOYSA-N 467.403 5.268 30 20 JKED N#C[C@@H](C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 730920592 PFOJZPPYZVHRPX-ZWKOTPCHSA-N 499.379 5.198 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731310584 KZHAHMCVZHGSHQ-NOZRDPDXSA-N 489.572 5.643 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc(OCc3ccccc3C#N)c2)NC(=S)N1 731339347 UUWPESVNIUZNTB-AREMUKBSSA-N 482.609 5.186 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 743526284 VABFDZIIOPALKX-QHCPKHFHSA-N 494.592 5.516 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 746659052 JHYRVWPXZBPHRM-UHFFFAOYSA-N 456.594 5.623 30 20 JKED COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1OCCCC#N 747361639 UAGJOJNCNIRRCX-ATVHPVEESA-N 472.929 5.358 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1 747475211 VJGLYNGGWVLQES-UHFFFAOYSA-N 470.978 5.499 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1 747600984 SCNPLSDOIJSLFM-SFHVURJKSA-N 474.970 5.096 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CC(F)(F)F)C2=O)cc1 799213549 SXIMTJJJLRKOOO-IBGZPJMESA-N 477.508 5.029 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 837915402 SCWCBNNWBRKOHN-WZONZLPQSA-N 458.587 5.366 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(C2CCCC2)C1=O 838523489 XQKVNUMWWDJUHL-HSZRJFAPSA-N 481.618 5.387 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2sccc2C)cc1 914551183 ZEYVDTKZWSFKLZ-OAQYLSRUSA-N 495.626 5.234 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2ccccc2n1C(F)F 915107383 RWFLRSINQFLNND-MRXNPFEDSA-N 459.543 5.555 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916137501 AJNCFWJANMKEKP-XFXZXTDPSA-N 483.486 6.244 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccccc2C)cc1OC 916155651 QDJHABLMFDFFEK-WQLSENKSSA-N 465.933 5.579 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)cc1 916214580 OZHRUVMCLRISJC-GOSISDBHSA-N 465.497 5.084 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1ccccn1 916217466 NOYKALHRSLULEX-QFIPXVFZSA-N 494.567 5.180 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 916217473 NVYHLKMYMNEIMC-QHCPKHFHSA-N 479.577 5.366 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1cccc(C(F)(F)F)c1 916217857 XOZUHYKSSBFZCQ-IBGZPJMESA-N 495.523 5.093 30 20 JKED Cc1cccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c(Cl)c12 916906052 BGSFIBCZHSULLF-QGZVFWFLSA-N 460.942 6.617 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1 916942833 QPYUQVJHBNPRQK-HXUWFJFHSA-N 469.324 5.542 30 20 JKED CCOc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916977716 XFVYVBUIRSHQLN-OXJNMPFZSA-N 465.962 5.092 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 917488712 SPSYFPQDODVUEG-UHFFFAOYSA-N 480.609 5.179 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C 917505352 MVSAEDNKAIJCGS-GNNUASRNSA-N 463.578 5.337 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2ccccc2)N=C1C 917611965 RMPNJVQHBLUCIJ-UHFFFAOYSA-O 476.666 6.539 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1 917612152 KPIANVVHEDQXOH-UHFFFAOYSA-O 466.542 5.667 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 917665103 UEPJKLKQLUVNQP-JOCHJYFZSA-N 474.542 5.064 30 20 JKED CCCCCCCCCN(C)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 918540964 CIPVYYWMGCQWMX-UHFFFAOYSA-N 450.649 5.152 30 20 JKED Cc1nn(-c2ccccc2)c(COC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1C#N 919295315 YIOQPHXCQONVKV-UHFFFAOYSA-N 481.537 5.091 30 20 JKED N#CCc1cccc(C(=O)OCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)c1 919310726 NIODTBFXVGQFEJ-UHFFFAOYSA-N 485.540 5.405 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)cc1 920110769 HIINGLRKJWVTAF-LJQANCHMSA-N 483.293 5.350 30 20 JKED Cc1ccc(C)n1-c1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C 920111174 SFYMFYWHGRXHCS-INIZCTEOSA-N 470.385 5.748 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920805777 FWXDSRZZGSNMDG-GOSISDBHSA-N 479.508 5.691 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(N2CCOC2=O)cc1 920976267 CWBXBCMUMFYNRV-LJQANCHMSA-N 470.529 5.171 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cc(Br)c3c(c2)OCCCO3)cc1 921265616 NLJVANGDOILGCT-RUDMXATFSA-N 459.340 5.036 30 20 JKED Cc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)n1 1785827280 LJYGQJMCIDXQEK-DAMWEWLOSA-N 464.569 5.478 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1)NC(=O)OC(C)(C)C 1785910983 COTFZWXVAODCJW-HXUWFJFHSA-N 491.579 5.025 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786182062 PANNHIWEHKHJMA-QHCPKHFHSA-N 481.637 5.008 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)cc2c1 1788966017 HZUNSMTYZDAVKH-UHFFFAOYSA-N 478.552 5.175 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)oc2ccccc12 1788967625 SMVVTXVKKNUENJ-UHFFFAOYSA-N 489.535 5.551 30 20 JKED Cc1cc(Br)ccc1C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789577075 RNCMIQWHDFKKRQ-JFLMPSFJSA-N 494.389 5.217 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)CCC1 1789954650 WNVOIWHZXBKABC-UHFFFAOYSA-N 469.585 5.479 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)n(-c2ccccc2)n1 1790707871 UTBQMASGQBMALM-UHFFFAOYSA-N 489.579 5.308 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)cc1Cl 1790803299 WKVHOPHJGOKPRC-UHFFFAOYSA-N 460.361 5.442 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)CCC2)cc1 1791253682 FJHSWPJLBHJBFC-NZQKXSOJSA-N 495.664 5.370 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)n4cccc4)cc3)CCC2)cc1C#N 1791791085 IUTPMXPIVSXSRO-HXUWFJFHSA-N 470.573 5.156 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)CCCc4cccnc4)cc3)CCC2)c1 1791949141 PHSVAWPTUXDRIN-UHFFFAOYSA-N 466.585 5.043 30 20 JKED Cc1nccn1CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792169130 VPGZNHCPZIAZNH-UHFFFAOYSA-N 499.615 5.079 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792393395 CNQYGHNASCRMSP-QFIPXVFZSA-N 495.664 5.351 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Br)c1CC)C2 1793052660 HWIXYPIVOQULJW-REPLKXPHSA-N 459.428 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3cc(-c4ccccc4)ccc13)C2 1798331629 SQVPDDBITWSQQN-UEQSERJNSA-N 468.601 5.250 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1c[nH]c3ccc(OC)cc13)C2)c1ccccc1 1798557073 VIEYPKXZPWXFJD-IXVYNXAGSA-N 495.623 5.025 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)Oc1ccc2ccccc2c1 1799880791 DXWVZMQOIOGURB-UHCVVMIDSA-N 460.618 5.404 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4sccc4s2)C3)cc(C(F)(F)F)c1 1800741168 XPNWZDJWZCGWJI-BJWYYQGGSA-N 489.544 5.419 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1802498958 PNVVGEJUBWSQJI-NRAWLDMYSA-N 471.601 5.539 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)[C@@H]1c1cccnc1 1802500349 MWULYRJUDDEHIY-HYBUGGRVSA-N 494.039 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3c[nH]c4ccc(OC)cc34)CC2)C1 1805457549 DOJQWBVCFZYZPG-FMIVXFBMSA-N 475.633 5.189 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)C1 1805458718 UFFLFUNATLPEIE-QFIPXVFZSA-N 455.042 5.369 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)C2)CC1 1805638161 LDBAIUNCBUVYPY-VWLOTQADSA-N 457.058 5.504 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@@H]1c1cccnc1)C(F)(F)F 1806449386 CXJUEDCGRNLLAP-DZWOVHDNSA-N 473.539 5.036 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)/C=C/c3ccsc3)C2)CC1)c1ccccc1 1807206667 IFGGAVZPYNUGTF-CJZRDCOESA-N 460.643 5.190 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808976561 OKHHFPCHCDQPCX-OASJLCFRSA-N 453.586 5.323 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)cc2c1 1809150043 GGFJRDUYRYYKPN-IBVKSMDESA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)[C@@H]1c1cccnc1 1810498408 MAYMNTLWNNMXAF-WIOPSUGQSA-N 472.589 5.049 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)cc2c1 1811745488 LMLGYHBOWHQLOP-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3occc3n2-c2ccccc2)[C@H]1c1cccnc1 1813227116 FOXGSRGRZRGXIN-IADCTJSHSA-N 494.595 5.132 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)cc(Br)c3)[nH]n2)C1 1814398522 LPSMESKTJZYBPC-GOSISDBHSA-N 477.790 5.098 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)[nH]n1 1814823689 CYMZKXXXQDMTHX-RUZDIDTESA-N 475.637 5.087 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1)c1ccccc1 1814931851 QWUSFPNMZJOGIB-ZCYQVOJMSA-N 473.552 5.166 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2ccc(C(F)(F)F)cc2)n[nH]1 1815150075 FCQPDUXUUGDILY-LAUBAEHRSA-N 492.542 5.035 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1815247663 NRMUUMLCTJXADF-FUHWJXTLSA-N 488.963 5.342 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC(F)(F)F)n[nH]1)c1ccc(O)cc1 1815573293 RTCOYQQHIKBEDQ-WIYYLYMNSA-N 490.526 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3c(Cl)cccn23)n[nH]1 1817783525 FSOIERVAKSQRQX-SFHVURJKSA-N 468.989 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)[nH]n1 1819306137 XSFHHBLYSRHJTN-GHTZIAJQSA-N 490.633 5.311 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1 1819385188 MDASXSKYSWPXIP-QHCPKHFHSA-N 475.669 5.248 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1819395847 OLBWLYFJVCMJKF-GMSPJADCSA-N 498.587 5.087 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)[nH]n1 1819555488 JCTLPORGRNGWJL-NRFANRHFSA-N 461.566 5.363 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)[nH]n1 1819555906 IYSKAQJHSRIUNZ-QFIPXVFZSA-N 493.608 5.055 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)n[nH]1 1820668028 RISHRFAXZVFDTL-DMDYGQEQSA-N 489.664 5.225 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC#N)[nH]n2)cc1Cl 1821339102 FBHIBYJAXPTXLX-GOSISDBHSA-N 478.380 5.113 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c(Cl)ccc(OC)c2F)n[nH]1 1822493320 PEMWCCBHDABZSK-JXFKEZNVSA-N 488.991 5.214 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)c(C)c(OC)c2)n[nH]1 1823281879 MGXHKBPKJCDVEJ-FQEVSTJZSA-N 468.598 5.034 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)C1 1823701205 CFYBQDZMDMGHQB-HHHXNRCGSA-N 460.593 5.692 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c1 1824051643 VWLRDKOJDFYRQW-HHHXNRCGSA-N 496.611 5.079 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1824539417 WKMZZAHFYVQVFH-GGAORHGYSA-N 474.070 5.076 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2c1 1825098219 QTPPFTQDVFWFNN-KPURRNSFSA-N 496.655 5.579 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccs3)CC2)c1 1825315901 VRGZHKRMJPBJCG-NLFFAJNJSA-N 463.647 5.241 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CC3)CC2)cc1 1826683154 IFEKMFVFIPBLSL-SANMLTNESA-N 455.602 5.199 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)[C@H](C2CCOCC2)CN3)CC1 1826777903 HGIUQLBYIZKLIL-JKJMAWGESA-N 493.692 5.068 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3cccc(F)c3)CC2)C1 1827352973 YUUBSFPSJYUKOR-RUZDIDTESA-N 461.581 5.087 30 20 JKED Cc1ccc(SCC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc([C@H](C)C#N)c4)sc3C2)cc1 1827696476 CZPSDGGOQHQDMB-YLJYHZDGSA-N 490.654 5.097 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(OCC(C)C)c2)CC1 1827701439 QBPXSVAPLSKEKM-LOSJGSFVSA-N 467.654 5.118 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827997018 MIMZWYNOWUWCFE-MUUNZHRXSA-N 480.612 5.439 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)COC3)CC1 1828237042 UXPHTKJKSAYBAV-AREMUKBSSA-N 480.725 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1828828505 LCRFKHATMANMGS-VPUSJEBWSA-N 471.645 5.750 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1828830553 PUWBTOWNFATQKA-RPLLCQBOSA-N 479.640 5.628 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829595734 HDEYFTSBTXDVPR-QFIPXVFZSA-N 460.603 5.043 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)C1 1829648596 XQCCGTHRCXUAGE-LJQANCHMSA-N 486.937 5.697 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2Cl)CC1)c1ccc(O)cc1 1829863624 MKEBEEZHDSZFEB-ZJSXRUAMSA-N 483.008 5.069 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1830415799 CZHPRKYWIFMVTF-BKMJKUGQSA-N 491.632 5.513 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1830724717 VQABQAOYKXONLF-CLOONOSVSA-N 464.009 5.249 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978261 PWQYHZGDJGESRB-RUZDIDTESA-N 471.601 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1831001226 LDBCFKZRCARVOJ-QHCPKHFHSA-N 483.603 5.739 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)c1ccc(Cl)cc1 1831306886 LUIJKZKAJMSVRN-JWQCQUIFSA-N 481.040 5.213 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307442 XCPVMOGDHWGQSM-DHIUTWEWSA-N 495.491 5.119 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1831445681 RYFGLAAQYYWODV-CPJSRVTESA-N 488.619 5.021 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1831521048 WSAAHBFTUIEOEK-NDEPHWFRSA-N 471.645 5.052 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831844810 XIUWVRRETITTJS-GRWTVWFQSA-N 488.097 5.179 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831852243 XOTKZYLRRKHVRM-DEOSSOPVSA-N 455.042 5.185 30 20 JKED COc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c2c1 1832632195 MJCJYTFVFJWNFC-PIIWDFAUSA-N 498.627 5.351 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc4ccccc34)CC2)c1 1832632573 TYHYGMIHPMQPLX-KMRXNPHXSA-N 480.612 5.409 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)CC1 1832657892 KUJDOWUVIYUXTG-GGAORHGYSA-N 459.030 5.350 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)CC2)c1Cl 1832981080 SOJKVBSQRQPRSF-NLFFAJNJSA-N 475.967 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1835464280 XCPUDLDAUZATOL-LOSJGSFVSA-N 486.100 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)CC1 1838166511 HRZRQGHFUIMOHL-UHFFFAOYSA-N 495.689 5.415 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)CC1 1838373618 ZUSDVJARBUJUSR-VWLOTQADSA-N 496.051 5.269 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 10170857 PUUJFGZAOPLZAD-UHFFFAOYSA-O 457.644 6.294 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 10179981 DZDUJIBCLCCXAW-UHFFFAOYSA-O 481.663 5.772 30 20 JKED C[C@@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(=O)Nc1ccccc1C#N 11070015 QFOYAEMMUWWQOJ-OAHLLOKOSA-N 478.643 5.443 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc(Br)c2)cc1 11084462 CJKGLNBWFHUNQS-UHFFFAOYSA-O 485.383 5.258 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccc(CC)cc2)cc1 11251643 HQRUPIPLFBGLJQ-UHFFFAOYSA-O 489.661 6.062 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 11258718 FDOAYDLEOLTESR-UHFFFAOYSA-O 476.065 6.354 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cs1 13038389 ZZGIGDUJUSDMRW-MTJSOVHGSA-N 476.627 5.953 30 20 JKED CCc1cccc(CC)c1-n1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nnc1-c1cccnc1 15234349 WAASYFWYGOLWIX-DEOSSOPVSA-N 499.640 5.052 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 16878981 NXFVVVVBZMECEP-HXUWFJFHSA-N 451.646 5.390 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(Br)cc1 21927368 NTRZIGKUIMNNQW-HNNXBMFYSA-N 485.407 5.216 30 20 JKED C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1OC 22016688 DXOJSNOCVAGXEZ-WJDWOHSUSA-N 462.358 5.754 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 23518829 VLLSDZPVTGUWRE-AEFFLSMTSA-N 472.611 5.088 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(Cl)cc1 27445038 CWURONZECUWCEP-IBGZPJMESA-N 492.029 5.877 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OCC)c(OC)c3)n2)nc2sccc2c1=O 36807124 QPAGVOBOJZFKIZ-UHFFFAOYSA-N 471.629 5.467 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N[C@H](C)c1ccc2ccccc2c1 255931371 YVCNLGPGMHQSCL-GOSISDBHSA-N 493.032 5.819 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1cccnc1 302702967 UKVGLOMFUORLBR-ZIAGYGMSSA-N 462.406 5.191 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 303148618 MERCNFVEVRXXCW-VWLOTQADSA-N 492.044 5.307 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 303199412 NYIYLHWXYNDAFQ-UHFFFAOYSA-N 493.538 6.398 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 303212299 RRRJMIRNLVFEQO-UHFFFAOYSA-N 465.893 5.708 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 303286950 LPLFSFPSCLYGDN-KRWDZBQOSA-N 481.647 6.026 30 20 JKED CN(Cc1ccccc1Br)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481715887 YZJFQDZCFNCMIV-UHFFFAOYSA-N 468.326 5.703 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1c(Cl)cccc1Cl 481878383 DQBYXRRYVPQRSS-LLVKDONJSA-N 462.749 5.636 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 490651791 UAXRZYRQJFKLBE-UHFFFAOYSA-N 455.489 5.697 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc1C 498718950 KNLKBBVIFIVFMN-UHFFFAOYSA-N 477.568 5.894 30 20 JKED C=CCN(C(=O)c1cc2ccccc2s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 498833548 YBJBTYRCBBXCFJ-UHFFFAOYSA-N 454.598 5.261 30 20 JKED N#C[C@@H](C(=O)c1csc(CCc2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 499590253 LKOCQKOZWZGDIJ-HNNXBMFYSA-N 451.523 5.820 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)cc2Cl)c1 503373038 NGBFVUQUJZCBFA-SANMLTNESA-N 468.944 6.097 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc(SCCOC)cc1 509511581 WUHNRGDYNQXICU-MRXNPFEDSA-N 481.431 5.786 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(N3CCCCC3)c2)cc1Cl 510053185 DRKQWNLJBBDGNO-HSZRJFAPSA-N 459.981 5.702 30 20 JKED CN(Cc1ccc(Br)s1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511325254 SOQGBKAVDWXTHL-UHFFFAOYSA-N 470.392 5.820 30 20 JKED C[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 511800100 UADHBPOIVBIPSB-HNNXBMFYSA-N 472.925 5.334 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)nnc1-c1ccc(Cl)cc1 517426536 YQCNKMQTIOSCQV-OAQYLSRUSA-N 481.025 5.266 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(Cl)cc4)n3)n2)cc1 517800860 MBWXJFLTUKWLSA-KRWDZBQOSA-N 451.960 6.086 30 20 JKED Cc1nn(-c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c(C)c1Br 518739048 LHZULLYKPXYNRV-AWEZNQCLSA-N 469.408 5.898 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 520407142 LSBDZEHCUQOTRB-UHFFFAOYSA-N 486.593 5.057 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 603533028 MNNASDIXSKNIDI-UHFFFAOYSA-N 469.564 5.379 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 603673373 MZEJXFPRKWXJDF-UHFFFAOYSA-N 472.536 5.213 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 603738482 JBFWBPSQUZYNKN-UHFFFAOYSA-N 460.946 6.012 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 603738491 JKURUPWGOHTQMH-JOCHJYFZSA-N 495.366 5.604 30 20 JKED CC(C)(C)CC(=O)N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 603829114 XRHFAKNEGCHUES-OAQYLSRUSA-N 452.986 5.108 30 20 JKED CCOC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1C 603838298 APOHEICPIKIHNY-OAHLLOKOSA-N 460.342 5.487 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C\c2ccc(C#N)cn2)c(Br)s1 603893973 LPAPXQFNQCSSGL-FPLPWBNLSA-N 493.308 6.046 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)COc3ccc(Oc4ccccn4)cc3)cc2)c1 609064688 DLZMBVVLVPJEHO-UHFFFAOYSA-N 451.482 5.342 30 20 JKED COC(=O)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 609081760 AXQUXPIRNWGZEL-PHIMTYICSA-N 496.326 5.009 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C2CC2)cc1 609084769 FADWTTXQRQIJCS-RUZDIDTESA-N 473.960 5.305 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1)c1ccccc1 609165732 PQOJNZSPZIZTQQ-UHFFFAOYSA-N 475.548 5.861 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609177276 NVIGLKCHCKYXLS-UHFFFAOYSA-N 487.968 6.879 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 609206751 CCYVRHOVESPCKE-UHFFFAOYSA-N 460.578 5.161 30 20 JKED CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209897 SZKIMYSAQJGIPC-IBGZPJMESA-N 485.462 5.273 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 609438489 HMCGRCYOUHTPJK-CQSZACIVSA-N 469.408 5.915 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 613426969 MBBSJKLGHMQMME-JKSUJKDBSA-N 491.444 5.708 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 622255327 HWUWIUZJYLMLFS-INIZCTEOSA-N 451.960 6.086 30 20 JKED Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485367 LYUIWKXCZUXLNB-LBPRGKRZSA-N 467.719 5.302 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2ccc(C)cc2)C=C1 725762700 DSHLLNLTJPQMHH-UHFFFAOYSA-O 480.613 6.043 30 20 JKED Sc1nnc([C@@H]2COc3ccccc3O2)n1N=Cc1ccc(-c2ccc(Cl)cc2)s1 725791547 PHMLVOJSYOZDTL-SFHVURJKSA-N 454.964 5.343 30 20 JKED CCOc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)cc1 726570977 PGOBGNCICJQEOS-UHFFFAOYSA-O 450.971 5.530 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)s1 726571617 ZGJNQWZPXMVTIA-UHFFFAOYSA-O 467.039 6.071 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3csc(COc4ccccc4)n3)SC2=S)cc1Cl 726626894 MJXSHAVTXDSADT-LSCVHKIXSA-N 470.000 5.653 30 20 JKED N#CCOc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)cc1 727948515 WEWIQQXDFVDYIW-UHFFFAOYSA-N 488.302 5.082 30 20 JKED Cc1cc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c(C)n1-c1ccc(C#N)cc1 728268263 KISVLNFNQNLKGJ-UHFFFAOYSA-N 464.525 5.236 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCCCC#N 728777703 MWPMIJQARUNILU-HXUWFJFHSA-N 454.983 5.303 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2scnc2C)C1=O 729146211 PWAQYWBEPXDROB-OAQYLSRUSA-N 494.642 5.401 30 20 JKED COc1cccc([C@H](C#N)NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c1OC 729432510 JELMRJJBKMSEMD-KRWDZBQOSA-N 462.358 5.058 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H](O)c3ccc(OC(F)(F)F)cc3)c2)cc1 729570406 IIIMDXVOGYHSRI-NRFANRHFSA-N 457.408 5.104 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 730446743 UHLBQHBRFHGDHN-QFIPXVFZSA-N 494.334 5.343 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)c1 730462053 LGSAWZPABVPIMK-NRFANRHFSA-N 488.009 5.178 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 730745873 VPPROBVKIRJHDY-MHZLTWQESA-N 466.562 5.568 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730943917 NIJOITJTAMWGAA-GAJHUEQPSA-N 494.567 5.698 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 730944829 GNQXABSFEFKTFN-BVZFJXPGSA-N 498.583 6.095 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2F)C[C@H](C)O1 731114235 KQGXXQVYXMRWAH-SQNIBIBYSA-N 456.587 5.013 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccc(F)c1)c1cccs1 731311286 AUIOIFAIQVZNPF-LUZGFVIMSA-N 483.590 5.183 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)cc2)c1 731331886 UMJZQDURLQHPGY-SDXDJHTJSA-N 487.581 5.002 30 20 JKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 746663136 BEADXXFJZHDEJV-RUPJRZHISA-N 483.421 5.031 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747001530 AIQYSMVCDZVHAJ-JOCHJYFZSA-N 494.364 5.231 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2nccs2)C1=O)Nc1ccc(F)cc1 747599261 IYTOUMZTUULVJC-GOSISDBHSA-N 488.997 5.139 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)cc1 749337337 CZJVVPAQLIWYIX-FQEVSTJZSA-N 454.452 5.195 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 749361317 OCZCYNKXPVLLKK-UHFFFAOYSA-N 487.913 5.106 30 20 JKED CON=Cc1ccc(C(=O)OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)cc1 770268996 NGAHLHHDAJPRHK-UHFFFAOYSA-N 471.966 5.435 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)n1 818135889 UUSTZYNTUTYQKZ-UHFFFAOYSA-N 479.172 5.474 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(C3CCN(C(C)C)CC3)C2=O)cc1 837300714 BVYYQJGBUHNPIG-XMMPIXPASA-N 478.662 5.137 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cccs2)C1=O)Nc1ccccc1F 837713998 IDUFUNJDRNYLEN-IBGZPJMESA-N 473.982 5.701 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccc(F)c2)C1=O 837739146 AVURXHZOGNXTDQ-QHCPKHFHSA-N 495.551 5.176 30 20 JKED Cc1cc(C#N)ccc1Oc1ccc(-c2nc([C@@H]3COCCN3C(=O)OC(C)(C)C)no2)cc1 904690732 GCAWXWJAYVHDER-FQEVSTJZSA-N 462.506 5.017 30 20 JKED Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c(Cl)cc2Cl)c1 914446205 SODXAASESYZPPJ-OAHLLOKOSA-N 488.396 5.465 30 20 JKED COc1ccc2c(c1)c(CC(=O)N(C)Cc1cccc(C#N)c1)c(C)n2C(=O)c1ccc(Cl)cc1 914449447 APTWJOKZGKXVQX-UHFFFAOYSA-N 485.971 5.373 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 915107486 TVIQZZKICUZJFI-QGZVFWFLSA-N 452.486 5.194 30 20 JKED COc1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)ccc1OCc1ccc(Br)cc1 915985182 QXORXCNCRKVUJU-FYJGNVAPSA-N 487.419 5.539 30 20 JKED COc1cc(/C=C2/CSc3ccc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 916128535 KFZDVZZNJBYVFK-YBEGLDIGSA-N 483.948 5.877 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccc(C)cc2)cc1 916211911 GYSPNIKNXDQLQK-XMMPIXPASA-N 489.597 5.173 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCC(C)C)cc1 916214243 LTUYLQMHTPUFDG-FQEVSTJZSA-N 493.551 5.720 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2C2CCCC2)cc1 916215174 TZSDRZYNGYWIRX-QHCPKHFHSA-N 481.618 5.169 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cnn1-c1cccc(C(F)(F)F)c1 916918117 MJGCTDMOXUWXFH-HXUWFJFHSA-N 462.431 5.314 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 916926018 XYCYRKOAENKTOY-MRXNPFEDSA-N 469.360 5.537 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 916928345 YQHLFUKHTQWIPH-WVCAGCIPSA-N 461.654 6.026 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(NC(C)=O)c(SC)c1)[n+]1ccc(C(C)(C)C)cc1 917609743 JWWOXFMUXPCANM-UHFFFAOYSA-O 470.684 5.329 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cccc(C)n3)C2=O)c1 917671973 KLDVELUAOVKHKO-DEOSSOPVSA-N 488.613 5.176 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 919593596 GFBROHHBUCUXLE-UHFFFAOYSA-N 492.354 5.393 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2Cl)cc1 920016463 ACJQTYKDZGGJRM-UHFFFAOYSA-N 470.960 6.426 30 20 JKED Cc1nn(-c2ccccc2)c(COC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1C#N 920610141 NWJMEEAVWROBRQ-UHFFFAOYSA-N 490.519 5.337 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 920676537 YNQQGSTYXDQYRJ-BTTAGBNVSA-N 452.001 5.001 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1 920806847 RFQWIQWGKSRJSD-MRXNPFEDSA-N 451.523 5.939 30 20 JKED N#Cc1ccc(CN(Cc2cc(Br)ccc2F)c2ccc3nc(O)[nH]c3c2)cc1 1459701729 QWYQDJMUACVKCM-UHFFFAOYSA-N 451.299 5.249 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CCCC(=O)Nc3ccccc3)cc2)CCC1 1786111435 IVSCSCYFHJQHMH-UHFFFAOYSA-N 469.532 5.141 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)CCC2)cc1 1786391296 LSQJXLPPZPBNMC-FQKQOIFNSA-N 488.657 5.033 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)CCC2)cc1 1786679202 NXJTZLGGBMVXII-UHFFFAOYSA-N 478.536 5.381 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CCC2)cc1 1787887731 VMAXAXHOULXGMV-UHFFFAOYSA-N 454.452 5.238 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)cc2)CCC1 1788394536 DKVAOKUHLKNVAN-UHFFFAOYSA-N 462.553 5.391 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3=C4c5ccccc5C(=O)N4CC3)CCC2)cc1 1789456639 XXHVBTOKJJZWCH-QFIPXVFZSA-N 481.596 5.160 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cncc4cnccc34)cc2)CCC1)c1ccccc1 1790010804 FEKRCQCRUQDNBV-HHHXNRCGSA-N 488.591 5.575 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@]3(C)C[C@@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1790428108 UBXZJGORARNVHU-CNDUHNDJSA-N 469.626 5.026 30 20 JKED COc1cc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(F)c1 1790707254 GKEGXRDDNUWWJX-UHFFFAOYSA-N 475.495 5.101 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc[nH]4)CCC3)cc2)ccc1Br 1790745156 FTEAPPVASDDCQU-UHFFFAOYSA-N 491.389 5.029 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCCC4(F)F)CCC3)cc2)c1 1790763927 ONKMPWVTHPIKMQ-DEOSSOPVSA-N 473.470 5.363 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)OCO5)CCC3)cc2)c(Cl)c1 1790766813 COKSHJFKVJXNGX-UHFFFAOYSA-N 473.916 5.002 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)c1 1790931629 XAOXHTHEJKADFV-GOSISDBHSA-N 479.536 5.827 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3Cc4[nH]nc(C(F)(F)F)c4C3)cc2)CCC1 1791137622 XOYGCDMRTMCHDH-VQIMIIECSA-N 486.538 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cn4cnc5ccccc54)cc3)CCC2)c1 1791510144 GCUOWQZDEIVRGO-HXUWFJFHSA-N 477.568 5.111 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(C)C)C(C)C)CCC2)cc1)c1ccc(O)cc1 1791641960 LIANGUZBUSOHMY-NEKDWFFYSA-N 489.660 5.046 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)c(Cl)c1 1792141735 PNPLJVDBDWJCEX-UHFFFAOYSA-N 499.958 5.158 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)o3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204289 VZOMYNAYZXHCMY-OAQYLSRUSA-N 481.593 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)C2 1798340096 MDBSYYDELKNNRD-HYOIWIKGSA-N 495.664 5.293 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(OCc2ccccc2)c(OC)cc1C 1800703138 ULPZGXXMINKHML-LSUHJGNXSA-N 476.617 5.047 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)[C@H]2c2cccnc2)C1 1802412379 DLFFHWXAGIAEBC-NVQXNPDNSA-N 492.063 5.609 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c(Cl)c1 1802779269 GGMATJKGZCRYRU-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1803086979 PVCHAHZJQNYDNT-PXDATVDWSA-N 477.992 5.569 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1803092003 IANXOVWMJIONAI-SHQCIBLASA-N 491.607 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808975326 KHCLSQLPBWWASG-ABYGYWHVSA-N 497.715 5.606 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810169248 XRDOZTUXVCIXLR-HLYQNSETSA-N 497.561 5.588 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)[C@H]1c1cccnc1 1810503069 NWSDAFDNGGKWTM-NOZRDPDXSA-N 472.589 5.049 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)[C@H]1c1cccnc1 1812590984 QMRKEFDSPDPXKX-OFHUJUHISA-N 487.566 5.208 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@@H]1c1cccnc1 1813050046 KQNZFEXFAIWEAM-NEKDWFFYSA-N 487.550 5.150 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1813223003 FGIBRVPAISIBQI-WXVAWEFUSA-N 490.003 5.508 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC)CC)[nH]n1 1814828466 MTOCMBAEDUTDQG-RSXGOPAZSA-N 477.653 5.253 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2ccc(Cl)c(F)c2)n[nH]1 1815149236 JMHUODOXJKHBKQ-NRFANRHFSA-N 474.964 5.042 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cccc3ncccc23)n[nH]1 1815175239 OIIJGRHOQUXIBY-HSZRJFAPSA-N 459.594 5.185 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(F)cc2F)n[nH]1 1815520825 YDSUTMLAYIHGND-BKVXWFHVSA-N 454.521 5.162 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1815656584 XAYDDURRYZGWNR-QHCPKHFHSA-N 496.583 5.580 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)n[nH]1 1818596870 HBXKBRCMDXADNL-JOCHJYFZSA-N 467.520 5.244 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(OC)ccc3o2)n[nH]1 1818999927 LSUIKCVRYZVSGF-FQEVSTJZSA-N 464.566 5.463 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1819309370 TXIDCTDKCZMDRM-FPOVZHCZSA-N 485.510 5.374 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1819393907 DWAAENHHSFGFET-UAHQCSBISA-N 499.040 5.055 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]n2)c1 1820206079 DOGBEVZPIBMAST-RUZDIDTESA-N 497.599 5.108 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)c(F)c3)n[nH]2)C1 1820237931 UJJKZVCYMGXGTJ-DEOSSOPVSA-N 458.537 5.488 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)[nH]n2)c(Cl)c1 1821274260 AOFNXYMJGKUGGK-JTAQYXEDSA-N 491.954 5.183 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)n[nH]2)C1 1821287034 ODYANTZGQSCQQU-NRFANRHFSA-N 497.571 5.168 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2N2CCCCC2)n[nH]1 1821307095 SGUMTAXURKBKLK-OFVILXPXSA-N 475.637 5.474 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@@H]4CCC[C@@H]5CCCC[C@H]54)[nH]n3)c2c1 1821382246 YKNWYXLOXVMQFH-SMOZNVCYSA-N 499.619 5.070 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)[nH]n2)c1 1823211769 BEXXSCITNVAHPJ-HOYKHHGWSA-N 494.555 5.311 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccccc3F)CC2)n[nH]1 1823445084 VJYDVSBVTHDLLA-JOCHJYFZSA-N 450.558 5.041 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc4cc(Br)ccc4c3)CC2)C1 1823701212 CPFMYJHUFCMLGK-XMMPIXPASA-N 496.449 5.197 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(=O)Nc2ccccc2)CC1 1823750715 FUTMLOQVPJZYRE-VWLOTQADSA-N 481.681 5.408 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1824140660 BUHDVBFPGGNMMW-QOEIGGFQSA-N 489.704 5.753 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)s1 1824542471 XOMUQMSLJDREDI-KNQAVFIVSA-N 465.729 5.064 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1825096156 YNIMJCSEMUNHQU-MHZLTWQESA-N 461.650 5.407 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC)nc2)CC1)c1ccccc1 1825749750 IZAOQMNVSAPOEB-WUFINQPMSA-N 471.645 5.075 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1826690232 QSDXMOUEAFAECN-QHCPKHFHSA-N 480.996 5.064 30 20 JKED Cc1cccc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)[nH]c12 1827696877 HNXFTJIFZOHMMD-JXFKEZNVSA-N 483.597 5.100 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 1828903602 JKSPIVBRGCVJOR-XZOQPEGZSA-N 480.716 5.483 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1829100193 RCMAPRHBRUKLQW-RUZDIDTESA-N 493.648 5.340 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1829676549 KOHRMMVSYPAFRC-DEOSSOPVSA-N 499.533 5.133 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCCn3cccc3)CC2)c1Cl 1829690158 MYMDAXWODUNOFR-DEOSSOPVSA-N 481.040 5.117 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)c(C)c2)CC1 1830003555 JXYPWBQMEVNHIF-DQEYMECFSA-N 497.680 5.006 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1830718709 LWAGGBQUGRSCTH-OXXZUKKGSA-N 485.559 5.390 30 20 JKED CCC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)n1cccc1 1830721324 GUSBCMDTVYLRGU-JWQCQUIFSA-N 481.040 5.288 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1830777776 GPMJOHIHEABNCW-VWLOTQADSA-N 495.664 5.259 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccccc2F)CC1)c1ccccc1 1831557030 MVOPBVFOMKDIHR-BDYUSTAISA-N 490.619 5.021 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831779756 HYEYYSCKCPHLNA-QHCPKHFHSA-N 456.030 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)c1 1832634297 UGQZUNYLIJKQED-RBISFHTESA-N 495.627 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832635749 QTZJRZVOXPRGQR-MNNSJKJDSA-N 499.655 5.650 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)CC1 1837671142 LDCZSCCSIOVQAJ-NDEPHWFRSA-N 474.645 5.149 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)COc1ccc(Br)c3ccccc13)C2 1841058210 AISUQOCACCBJPD-UHFFFAOYSA-N 499.449 5.177 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CCCC34CN(C(=O)[C@@H](C)ON=C(C)C)C4)cc2)cc1 1845298493 KWFSOPXXVQDUJU-JOCHJYFZSA-N 475.633 5.314 30 20 JKED O=C(C1CCC(C(F)(F)F)CC1)N1CC2(CCCN2C(=O)c2cccc(C(F)(F)F)c2F)C1 1845346179 SXRPKKNVTSIHNH-UHFFFAOYSA-N 480.424 5.030 30 20 JKED COc1ccc(-n2c(SCC(=O)N(CC#N)c3ccccc3)nnc2-c2ccccc2)cc1Cl 9023502 BWPLDHFRAUXALV-UHFFFAOYSA-N 489.988 5.245 30 20 JKED CC(C)n1ncc2c(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)cc(-c3cccs3)nc21 11048786 WGFKRXQQGHUINE-UHFFFAOYSA-N 479.949 5.061 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCCOc3cccc(Br)c3)s2)cc1 14621438 FZWSEMPAHYKJEP-UHFFFAOYSA-N 489.420 5.262 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccoc1C 21140632 UVVTUISHOMOXTD-IBGZPJMESA-N 474.586 5.731 30 20 JKED Cc1cc2occ(CC(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCCCN4)c3)c2cc1C(C)C 22699861 SKDOOVOYSDZVSF-UHFFFAOYSA-N 481.618 5.297 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12 23518600 DWKSJXNLPWGWGV-RBUKOAKNSA-N 490.604 5.693 30 20 JKED C=CCn1c(SC[C@@H](O)Cn2c3ccccc3c3ccccc32)nnc1-c1ccccc1OC 26193293 SCLYVFHZOIHNRF-IBGZPJMESA-N 470.598 5.401 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccccc2)c1C 28793402 MCMNSFZHVYHBGZ-UHFFFAOYSA-O 464.611 5.270 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1/C(O)=N/c1nnc(SCc2ccc(F)cc2)s1 30560786 KNWPEJIVWHSPSN-UHFFFAOYSA-N 474.583 6.101 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nnc1-c1ccoc1C 36849786 JUDCDTWNJOOBDL-UHFFFAOYSA-N 479.631 6.083 30 20 JKED COc1ccc([C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)c2c[nH]c3ccccc23)cc1 68711715 XLKLNMLPYXHKPA-RUZDIDTESA-N 491.547 5.782 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)cc2)c1 303348466 MZWZMWDCMDFVPI-UHFFFAOYSA-N 462.500 5.415 30 20 JKED C=CCn1c(SCC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 409560048 ADVISEMWYWJRPO-REWPJTCUSA-N 483.037 5.161 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1CCN(Cc2cccs2)CC1 490682720 FETCDUUECMITJM-UHFFFAOYSA-N 460.603 5.754 30 20 JKED CCN(CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 497620276 XYABNZUHGSHEHH-LJQANCHMSA-N 461.587 5.007 30 20 JKED C=CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1cc(Br)ccc1F 502173893 OQJZHHFPDYGOQU-UHFFFAOYSA-N 471.374 5.017 30 20 JKED Cc1cc([C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)nc(C)n1 502674988 GOOKDZAMJSENKJ-QHCPKHFHSA-N 458.525 5.044 30 20 JKED N#Cc1c(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)sc2c1-c1ccccc1CC2 503369212 OTWYNRDHMNZCQS-UHFFFAOYSA-N 484.602 5.612 30 20 JKED N#Cc1ccc(CC(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccco2)cc1 504389767 VZOCODNQKKXMQT-UHFFFAOYSA-N 475.854 5.033 30 20 JKED Cc1nc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)sc1SCC#N 504684220 IVFNXZOJRDHDBX-UHFFFAOYSA-N 480.018 5.755 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1 508240995 HVHZZVCQIYSCIZ-UHFFFAOYSA-N 465.513 5.135 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508280495 QELLSODFEQDZQV-UHFFFAOYSA-N 458.474 5.487 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 510650379 WIMCZBXSYOOQEN-UHFFFAOYSA-N 456.546 5.145 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc2ccccc2[nH]1 511339026 IDQSTNGKPXNRAH-VWLOTQADSA-N 453.546 5.727 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 511460388 SLZQACDOUJFNLV-AREMUKBSSA-N 468.557 5.968 30 20 JKED CC(C)Oc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccc(Br)cc1Br 512937530 OUOOYYGZVPQKHD-LBPRGKRZSA-N 481.188 5.310 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCOc2ccc3ccccc3c2)cc1Cl 515881340 PGFVLPJNZHPJLF-VWLOTQADSA-N 483.955 5.282 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N(CCc3ccccc3)Cc3cccnc3)s2)cc1 516079441 CIBYAGQQKSVOCE-UHFFFAOYSA-N 453.571 5.277 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)cc1 516270368 VDVJHICWNVVCJG-NRFANRHFSA-N 487.541 5.079 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(C)C)cc1 516298417 QHTBQHRROZVGBX-VWLOTQADSA-N 457.530 5.120 30 20 JKED Cc1sc2nc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)nc(O)c2c1C 516364961 BPCFIQGJTFLVEV-UHFFFAOYSA-N 478.961 5.902 30 20 JKED CN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 517729538 XMWZSNBITAZYAP-UHFFFAOYSA-N 456.745 5.114 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)cs1 518600093 DNXDJLHDHXQPLN-SFHVURJKSA-N 496.592 5.907 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)c2)cc1 519196589 JFBGAGIRTRYTBT-QHCPKHFHSA-N 478.346 5.718 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 519988069 CZMNHOUSAUHRLI-UHFFFAOYSA-N 496.523 5.877 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(-n4cccn4)cc3)cc2Cl)c1 524437841 BZIQEDKZIFEZAT-UHFFFAOYSA-N 457.921 5.298 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC(=O)Nc1ccc(Br)cc1C 583681291 USAUELJGLYCFFZ-UHFFFAOYSA-N 470.820 5.199 30 20 JKED FC(F)(F)c1ccn(-c2ccc(CNC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2)n1 589838258 JKBSJJNUQCQOOL-STQMWFEESA-N 459.356 5.890 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cc2ccccc2o1 604134384 SBLBCVXXZUNTKT-HNNXBMFYSA-N 459.889 5.566 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3csc(Cc4ccc(F)cc4)n3)c2)c1 604456275 WOTOHUYEOWNMPB-UHFFFAOYSA-N 470.529 5.178 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 608865739 PKFLEIXTOQLFRQ-UHFFFAOYSA-N 482.927 5.321 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 608874973 IEWGOPUGSLVIEJ-UHFFFAOYSA-N 454.364 5.051 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 608876234 GUFJAQDCAMQVCA-NHCUHLMSSA-N 466.566 6.352 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccccc3C(F)(F)F)s2)c(C(F)(F)F)c1 608928132 CTFXRLBJPBHWCW-UHFFFAOYSA-N 491.438 5.444 30 20 JKED N#C[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)c1ccc(OCc2ccccc2)cc1 609027689 DLZDXTYEYQNGFC-RUZDIDTESA-N 453.567 5.236 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)cc2Cl)c1 609083959 ODBDOFPFKWUUOJ-DEOSSOPVSA-N 494.378 5.650 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1ccccc1C(F)(F)F 609086948 KHJJSXDCOZRKNJ-UHFFFAOYSA-N 481.474 5.062 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccccc1 609421001 XBQOCLUDFBAQCA-VWLOTQADSA-N 461.512 5.092 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C2CC2)ccc1O 609424473 NOVGWOWVCKIJAZ-UHFFFAOYSA-N 459.502 5.270 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609427350 FQNFSFYUARTIHB-QHCPKHFHSA-N 475.932 5.256 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Oc5cccc(C#N)c5)cc4)nc(O)c23)C1 609430129 RIXICLGKRGCWNY-MRXNPFEDSA-N 484.581 5.757 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1nc2cc(Cl)ccc2s1 613407072 HFOADESTCPUANZ-MRXNPFEDSA-N 479.920 5.596 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1ccccc1OC 617994000 CBFONNZKSUBYNF-ZWKOTPCHSA-N 450.608 5.060 30 20 JKED C=CCn1c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc2scc(-c3cccs3)c2c1=O 619733021 PRADUJLHFHLUQA-UHFFFAOYSA-N 498.611 5.036 30 20 JKED N#C[C@H](C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1nc(-c2ccc(Cl)cc2)cs1 642281961 XACLBYIMCOCFFY-LJQANCHMSA-N 474.973 5.390 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccc(C)s2)cn1 726118845 RQDYSKRXDOTQIC-IBGZPJMESA-N 488.038 5.087 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1oc2ccccc2c1CSc1ncccn1 726318211 IOBWCTFFPUCPOE-SFHVURJKSA-N 466.522 5.510 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@@H](C)OC)c1 726413547 UCQDYUPNDSODKD-OPAMFIHVSA-N 484.021 5.015 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1 726489469 NBRXLCQGSRRPMT-UHFFFAOYSA-N 457.477 5.865 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)N[C@H](C)c1cccs1 726581614 WFHKWCVDZJAYTG-OAHLLOKOSA-O 454.641 5.154 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)ccc1Cl 728216876 GADIPABORFZPDH-JOCHJYFZSA-N 496.032 5.048 30 20 JKED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 728390955 PHZPKTGOCCEFFN-NEKDWFFYSA-N 468.601 5.097 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccnc3)cc2)cc1 728552871 LYOQBQJAIVKRAT-UHFFFAOYSA-N 451.551 6.077 30 20 JKED CN(C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1)C(=O)OC(C)(C)C 728740279 LGUPKARKQRVOPD-LJQANCHMSA-N 464.566 5.461 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 728778074 PWLDQVZZGTVXCY-LJQANCHMSA-N 458.946 5.133 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)c1 728778936 VYKDIXMWWWWRKV-NRFANRHFSA-N 469.010 5.611 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3Cl)N(CCCCC#N)C2=O)cc1 728780400 SGTJASWIVFPJQN-FQEVSTJZSA-N 489.428 5.956 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCOCC2CC2)C1=O)Nc1ccc(F)cc1F 730944157 RLMIKWGRLUNNPD-FQEVSTJZSA-N 493.963 5.005 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)c2cc(Br)ccc2n1 731076408 CFWRZROICZBNJZ-OAHLLOKOSA-N 498.402 5.496 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731310629 MDOCIARIADYGTK-IBGZPJMESA-N 490.368 5.453 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 743524966 NJRBAUSVXZZFNR-KRWDZBQOSA-N 466.365 5.564 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cccc(Cl)c2Cl)C1=O 745581841 WARYKAOUZIFHNL-OAHLLOKOSA-N 490.334 5.280 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)nnc1-c1cccnc1 748347132 WDORDXYQSLXYIM-IBGZPJMESA-N 457.603 5.529 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)ccc1Cl 802644163 UDDDOWGWXLHKEP-UHFFFAOYSA-N 481.984 5.201 30 20 JKED O=[N+]([O-])c1ccccc1-c1ccc(C=Nn2c(S)nnc2SCc2ccccc2)s1 812443748 XKKAGFPZLNFOCN-UHFFFAOYSA-N 453.574 5.378 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 837476207 OLQYXPKEZSSRFO-SQJMNOBHSA-N 486.641 6.037 30 20 JKED N#CC(CCOC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3)(c1ccccc1)c1ccccc1 914882303 JZBMZSNKSVWMEL-UHFFFAOYSA-N 497.620 5.651 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2ccccc2s1 915098247 NOQYNYHKPNYJKO-CABCVRRESA-N 458.370 5.332 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104259 NYTKWQQUWNMBLH-MRXNPFEDSA-N 494.585 6.439 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 915644682 KMSWHJJVHPCVOK-IFMALSPDSA-N 464.491 5.611 30 20 JKED C=CCn1c(SCC[S@](=O)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 915652700 KXIUSHRBWVTMSB-PMERELPUSA-N 452.626 5.211 30 20 JKED COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916135327 QTHTZHJFPQIGKC-ZRDIBKRKSA-N 489.877 6.281 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)c(Cl)c1 916206168 XHKFVALLBHOWLY-KRWDZBQOSA-N 485.890 5.644 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1 916207499 ZWVFVJDBMJAEKE-SFHVURJKSA-N 481.927 5.790 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(Cc2ccco2)C1=O 916207640 HSBGPLJLJMJKBK-QFIPXVFZSA-N 463.559 5.066 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCc2ccc(F)cc2)C1=O 916208774 UJNIAKLWNMKZIC-HSZRJFAPSA-N 495.551 5.176 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2)c1 916212441 MZAWFVLYFWFREA-HSZRJFAPSA-N 477.561 5.303 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(C=NNc2ccc(C)cc2)cc1OC 916250403 AZIHOJMHGFINAR-UHFFFAOYSA-N 453.926 5.129 30 20 JKED N#C[C@H](C(=O)CCSc1nc2ccccc2s1)C(=O)Nc1ccc(SC(F)F)cc1 916887486 OXOPTNRYSPEQTA-CQSZACIVSA-N 463.556 5.441 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(CSc2ccc(C)cc2C)c1 916905116 AEERJTWPWTZZKJ-VWLOTQADSA-N 470.638 6.682 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916915706 HSIXWFLOTPYRIJ-HSZRJFAPSA-N 457.493 5.049 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)n2)cc1 916975052 VILQBKLLPXTWLN-RBUKOAKNSA-N 498.435 6.154 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1 917560300 LATLWMZLQHHGED-DHZHZOJOSA-N 482.989 7.245 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 920105291 AJGVMIDLAJXVHO-JOCHJYFZSA-N 464.550 5.622 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920109818 JILGNLPNOJRURG-YJBOKZPZSA-N 483.977 5.363 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Br)cc3Cl)n2)cc1 920139870 ZWTJSGWJTYCGFI-OAHLLOKOSA-N 477.767 5.490 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 920871816 YBRPLERKQSUYSS-JXFKEZNVSA-N 493.551 5.257 30 20 JKED CCC1CC(=O)C(=CNc2cccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)C(=O)C1 920976192 RFJYQFMZNVKLRU-UHFFFAOYSA-N 480.558 5.056 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)COCC(F)(F)F)cc1 921254958 VEICSIBIFDTVQS-DNVCBOLYSA-N 497.514 5.062 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 1778862911 DALVTDFFUHZLND-OOIXFGODSA-N 458.687 5.099 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1Cl 1786207672 BALGPUWXZPSURX-PKNBQFBNSA-N 490.903 5.174 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)cn4ccccc34)CCC2)cc1 1786360445 FRJCJKWUBQKDLR-QFIPXVFZSA-N 491.591 5.392 30 20 JKED COc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)n1 1786813062 CHVTYFNRPJIHHQ-HXUWFJFHSA-N 482.584 5.098 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)cc2)CCC1 1787155329 DBQMZIHJTWKMQQ-UHFFFAOYSA-N 468.479 5.419 30 20 JKED Cc1nscc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1 1787193036 XGDNAUUFQLHJKX-UHFFFAOYSA-N 495.402 5.147 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Br)cc4)CCCC3)CCC2)cc1 1787887729 VHKIQDMIFMCRFA-UHFFFAOYSA-N 494.433 5.699 30 20 JKED C[C@@H](Cc1ccco1)C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788648561 LRMLBFSFNIPFIR-DXRVJIQQSA-N 462.571 5.093 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(N(C)C)c4ccccc34)cc2)CCC1 1788991108 UUOHKWQMEXEUCS-UHFFFAOYSA-N 499.611 5.163 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cc6[nH]ccc6s5)cc4)CCC3)c2c1 1789104249 GDKLSLAVWYLGHM-UHFFFAOYSA-N 480.553 5.039 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789188922 DVZQEALCBNSVPM-NHCUHLMSSA-N 483.653 5.370 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(=O)N(Cc4cccs4)C3)CCC2)cc1 1789624129 KZIBOZQSFKKWPW-HXUWFJFHSA-N 493.673 5.223 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)cc(OC)c3F)cc2)CCC1 1790060390 STHNOYRSHMJDQS-OAQYLSRUSA-N 466.553 5.359 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)[nH]n4)cc3)CCC2)cc1 1790125337 TWDORQAKILDEDU-UHFFFAOYSA-N 461.525 5.010 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)CCC2)cc1 1790567731 PDMAFELOCQWEHT-JOCHJYFZSA-N 486.616 5.643 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790946469 IBSYFXRIVOOBBZ-LJQANCHMSA-N 498.583 5.977 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccnc4c(O)cccc34)cc2)CCC1 1790978761 AHGXYABBCXMNFT-VAWYXSNFSA-N 497.576 5.189 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C4CCCC4)cc3)CCC2)C1 1791033804 XDVLRTQHGMGKSJ-DEOSSOPVSA-N 495.664 5.560 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791244557 VHJITMDDYLPVAV-SFTDATJTSA-N 483.653 5.370 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C3=CC(C)(C)N(C(=O)c4ccccc4)C3)cc2)CCC1 1791497142 YRCYYYOFNKVBBO-UHFFFAOYSA-N 497.639 5.175 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)CCC2)cc1 1791582810 OIZKOJXLPTVCBW-UEMOLPEBSA-N 493.648 5.102 30 20 JKED COc1ccc(COCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1 1792127435 YPXWMLVAQUESEV-NRFANRHFSA-N 497.595 5.287 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Br)c1)C2 1793052807 RFXXBGLTJFUCQJ-BCDXTJNWSA-N 465.819 5.123 30 20 JKED COc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)ccc2F)cc2ccccc2c1Cl 1800683738 NCVDDGFDPKEKEX-REPLKXPHSA-N 491.950 5.078 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccnc1 1802501743 AYBCJLNQONKJET-NZQKXSOJSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1802503067 PMHUAGBKMZHFQB-VGSWGCGISA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1802732852 YFVSKOZXQSNBIH-URXFXBBRSA-N 451.998 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1805364379 LMGGCVKUMMGGKH-JYFHCDHNSA-N 486.616 5.357 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)C1 1805459201 CPLUAEDEYFZTCS-UHFFFAOYSA-N 466.519 5.458 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1806591938 XHKOKFCJJHMNKG-QPPBQGQZSA-N 487.566 5.341 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4c[nH]c(-c5ccc(C)cc5)c4)C3)CC2)c1 1807428286 XBLILAGEQUFTMI-UHFFFAOYSA-N 496.611 5.029 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccnc3ccccc23)[C@@H]1c1cccnc1 1810271346 DIAFFKXVTTWJMI-QDPGVEIFSA-N 498.703 5.001 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1810273662 GGYSLZPVQNBFKL-ZJSXRUAMSA-N 493.705 5.260 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(C)ccc2F)[C@H]1c1cccnc1)c1ccccc1 1811031849 GHJYYTNJKZLACF-CERRFVOPSA-N 483.587 5.046 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1811418968 DGQHMOORAURLKV-BKMJKUGQSA-N 493.051 5.533 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2c2cccnc2)CC1 1811944999 TZMDYJGYFCZKJT-IEJAEOBLSA-N 472.633 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1811997582 IMYLVVZAHYYSPU-VPKVUBIPSA-N 460.405 5.229 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(C)s2)[C@@H]1c1cccnc1 1813366777 MQVGRILINUVCPQ-RAMPRORUSA-N 451.636 5.163 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1814109181 QHPVFLCVFGCMTR-GJZUVCINSA-N 478.036 5.056 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)[nH]n2)C1 1814393478 CQPJWHCDLBYBGX-QFIPXVFZSA-N 478.984 5.034 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cc4ccccc4n3C)n[nH]2)c1 1814726398 NYPBCFTWMSJAPH-NIYFSFCBSA-N 494.599 5.077 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n[nH]1 1814926301 UYJYRCOUYPLLHQ-ISJRUSPKSA-N 468.548 5.252 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)CC1 1818117168 CZMZTXLWMIWGQV-NTZGEOQQSA-N 468.623 5.119 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818591228 TVVQJMPFPPZWCK-QFIPXVFZSA-N 465.985 5.619 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819030689 MYJRIEULJFTGDD-BEFAXECRSA-N 489.626 5.933 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)[nH]n1 1819553150 XGCSUQBIZQPMHQ-NRFANRHFSA-N 482.625 5.044 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820079817 OHWRPNLBLCAKSM-XMMPIXPASA-N 465.557 5.049 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C)ccc3NC(=O)OC(C)(C)C)n[nH]2)C1 1821357374 GUCSERWGUSYGHA-QFIPXVFZSA-N 493.608 5.337 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)[nH]n1 1821987052 CPWSOBMISGFODR-INIZCTEOSA-N 488.869 5.182 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)S)n[nH]1)c1ccccc1 1822385308 PAMLESWPANUUMF-PBXXJUDPSA-N 499.725 5.075 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H](C#CC)c2ccc(O)cc2)n[nH]1 1822466874 DKWVHWSATYLBEQ-QQKQFIJSSA-N 474.605 5.073 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)[nH]n1)c1ccc(O)cc1 1822468465 SZZVTFGCQFQKMX-UNWVZKJWSA-N 498.574 5.130 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1823215776 DACLJAAWJBTTBR-MPCDZSKCSA-N 480.572 5.284 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4nscc34)[nH]n2)c1 1823216254 FEQSSUJNLWNXNA-WAIKUNEKSA-N 484.585 5.266 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)[nH]n2)CCC1 1823377196 AIOLOFLSENBUTA-KRWDZBQOSA-N 467.982 5.278 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)CC1 1823673053 QMJHBUCOSVPROG-FPOVZHCZSA-N 464.437 5.390 30 20 JKED CO[C@@](C)(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](S)C(C)C)CC1)c1cccc2ccccc12 1824537578 DGZUHMOSXSFKNZ-UWPQIUOOSA-N 496.717 5.276 30 20 JKED Cc1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1824681362 HOLDLZZSVHMXSJ-QHCPKHFHSA-N 479.646 5.263 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(F)(F)C(F)F)CC2)cccc1C(F)(F)F 1824847427 LNWCDCCLVGMQFQ-KRWDZBQOSA-N 482.440 5.148 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)c(Cl)c1 1826529606 CDHLLPOCCXJYBY-DWOOMVRVSA-N 461.993 5.158 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2N)CC1)c1ccccc1 1826956769 KUVXYRMCNBMMKV-WYPAJJBVSA-N 483.656 5.099 30 20 JKED Cc1c(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc([C@@H](C)C#N)c4)sc3C2)oc2ccccc12 1827696468 CMKCYJFICOLNOJ-KXBFYZLASA-N 484.581 5.364 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2c1 1828124069 VZEYZVUMBLIXME-KMRXNPHXSA-N 482.628 5.651 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccn(C)c34)CC2)c1 1828274356 HMNCEHZEIARHFF-IDISGSTGSA-N 482.628 5.352 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828547653 ZRTMESCRYJDBJO-OXQOHEQNSA-N 450.695 5.151 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)ccc1F 1828553149 CLVFCPXLQVCJTF-NRFANRHFSA-N 495.645 5.450 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2noc3ccccc23)CC1)c1ccccc1 1829032426 JTJUTYFPLGGOAX-LSYYVWMOSA-N 497.639 5.187 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829647228 IOFUPJWXXOUCER-GOSISDBHSA-N 472.910 5.145 30 20 JKED COc1ccc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689840 SCJFMDUULCVREG-DEOSSOPVSA-N 480.008 5.076 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830015115 IWADMASOGGVXRP-HSZRJFAPSA-N 469.507 5.124 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830168997 FINZNGZFANPAQB-AJTFRIOCSA-N 492.660 5.208 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1830597508 SXBNJTOJIQELQU-RQWLHQTBSA-N 485.049 5.382 30 20 JKED Cc1ccc(NCCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c(C)c1 1830631810 PAULNXWMQIIAGJ-MUUNZHRXSA-N 486.660 5.105 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)S)CC2)cc1Cl 1830783929 QJQUCQZVOBQFIE-QRWLVFNGSA-N 487.493 5.332 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3ccc(Br)cc23)CC1 1830827801 WREYNQQAGYTMRJ-HOYKHHGWSA-N 498.465 5.443 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc4cc(Br)ccc4c3)CC2)C1 1830930569 AHBXSGJGRFDRHC-DEOSSOPVSA-N 496.449 5.197 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2O)CC1 1830954884 PNAYKCICVADBPA-NZQKXSOJSA-N 450.579 5.140 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1831372667 GMLIZMRGMYVFCA-SBUREZEXSA-N 486.454 5.376 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831376158 JYMJEUGIPPTZNO-CJFMBICVSA-N 458.602 6.032 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)C1 1831748993 KGKUCYOHZPRFLS-QHCPKHFHSA-N 475.460 5.611 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c1 1832628968 HJIFVEVYPFTBFB-WZONZLPQSA-N 484.065 5.505 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832635754 QWVSHPBRIZYEKC-WENCSYSZSA-N 482.628 5.488 30 20 JKED CO[C@](C)(C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1cccc2ccccc12 1832780215 ZNXRLWDBVRYXQI-UHSQPCAPSA-N 487.644 5.015 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)CC1 1838521637 AWTIAIZGWQUBFZ-IBGZPJMESA-N 491.657 5.274 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(N(C)C)cc2)c1 10172830 AAVRYEXBTSOXKI-UHFFFAOYSA-O 470.565 5.309 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(C)=O)nc2scc(-c3cccs3)c2c1=O 11381781 YLMBLIQWSONHFY-UHFFFAOYSA-N 481.624 5.306 30 20 JKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C(F)(F)F)c1 11554211 FLRHXNGBKHQHLE-HSZRJFAPSA-N 492.526 5.926 30 20 JKED Cc1ccc(C)c(OCc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)o2)c1 11738559 UNKMPIHOHFLEGQ-UHFFFAOYSA-N 468.604 5.198 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)Nc1ccc(C#N)c(Cl)c1 16788002 CJKLOXSGKMKTPQ-OAHLLOKOSA-N 463.950 5.231 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1 17583481 HTBVRPBHEYSNJN-UHFFFAOYSA-N 495.910 5.387 30 20 JKED Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1Cc1ccccc1 23608122 XKSVSHCVBSWUIN-IBGZPJMESA-N 489.576 5.461 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CC)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 23998011 REOIRFBDSDMHDN-FQEVSTJZSA-N 456.999 5.153 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2F)C[C@@H](C)O1 71931329 JHTWCTLHVHGJIN-HDICACEKSA-N 461.562 5.714 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(c1nc2ccccc2s1)c1ccccc1C 107768658 GGCTVQUCJMWVCL-UHFFFAOYSA-N 457.555 6.009 30 20 JKED C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1[C@@H]1COc2ccccc2O1 115517997 UZXCXHHURKPJEV-SFHVURJKSA-N 455.490 5.014 30 20 JKED C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 303072357 XRYPOCDNHMKDAT-FQEVSTJZSA-N 471.626 5.775 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(OCc5cccc(C#N)c5)cc4)CC3)c2c1C 303128075 BIWQPBVWDXRVOK-UHFFFAOYSA-N 497.624 5.614 30 20 JKED CCCc1ccc([C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2cccs2)cc1 409473852 GPJFSRQZUVNEKB-SANMLTNESA-N 486.641 5.722 30 20 JKED COc1ccc(OC)c(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 487319572 GWXGJNMVRTWZTK-UHFFFAOYSA-N 475.492 5.213 30 20 JKED CCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1C 490544960 NLRLPTMIOOYZQN-UHFFFAOYSA-N 451.573 5.032 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2Cl)cc1 491046476 DNWGAEDQABIABI-LJQANCHMSA-N 474.948 5.887 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2OCC)nnc1-c1ccc(Cl)cc1 499267780 RPWFWGOUIAEHQV-MRXNPFEDSA-N 456.999 5.153 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCCc3nc(-c4cccs4)no3)c2)cc1 501467276 NQPZGRMWDJCHPH-UHFFFAOYSA-N 458.543 5.405 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1OC(C)C 502577311 BIWPZPDJIYEBHX-HXUWFJFHSA-N 473.573 6.010 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1 502631059 CZZMIFPYLHIMMU-OAHLLOKOSA-N 462.363 5.337 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)CC2)c1 502635252 NWBNITUSQNJYMF-UHFFFAOYSA-N 466.969 5.416 30 20 JKED N#Cc1c(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)sc2c1CCCCCC2 503350033 UYRGHSGHIBKFGV-UHFFFAOYSA-N 464.612 5.505 30 20 JKED CCN(C[C@H](C)C#N)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 505021869 YFJXLYNBSOKHKM-IVZQSRNASA-N 486.403 5.216 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 507784244 JWLYRPJLNNIUSY-UHFFFAOYSA-N 460.500 5.104 30 20 JKED COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)cc1 508353783 FAASKHMVZLDNAQ-UHFFFAOYSA-N 477.520 5.650 30 20 JKED C=CCn1c(SC[C@H](O)COCc2ccccc2F)nc2scc(-c3cccs3)c2c1=O 508503672 KEXOFRMNWRKRHL-MRXNPFEDSA-N 488.631 5.181 30 20 JKED Cc1cc(Sc2ccccc2)ccc1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 510872378 MLHSSMUEFNRVQL-UHFFFAOYSA-N 482.613 5.540 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c12 515540165 MBMKASVKRFDXHB-KRWDZBQOSA-N 456.456 5.179 30 20 JKED CC(C)Oc1ccc(C#N)cc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 516367121 QHKGUGYHOBDGRT-LJQANCHMSA-N 450.589 5.258 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc(C3CC3)nc21 518669031 ZABZGLFKZWXZFL-UHFFFAOYSA-N 473.524 6.166 30 20 JKED Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 518936231 PJSOLZQXNIWNAC-UHFFFAOYSA-N 453.542 5.370 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 519439372 LGZNAFPGDCNFKE-IBGZPJMESA-N 481.927 5.571 30 20 JKED COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)CCOCC1 520195888 PIORCPPQSBSWIZ-QGZVFWFLSA-N 474.026 5.613 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1SC[C@H](C)C#N)O[C@@H](C)C2 520854185 FXGZMVOLWPARJO-JQZBISMTSA-N 451.592 5.338 30 20 JKED Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)Nc4ccccc4SC[C@H](C)C#N)CC3)n2)cc1 520858139 ONGXGSITNCBQFR-WOJBJXKFSA-N 490.633 5.208 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 520924469 XOPRPFFMELVFKU-SJORKVTESA-N 473.545 5.173 30 20 JKED Cn1c([C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c2ccccc2)nc2ccccc21 522328611 PQBUEPPKVHZWLX-HSZRJFAPSA-N 462.475 5.032 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 523584134 HVYARECUGLGMBE-UHFFFAOYSA-N 480.499 5.655 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1OC(F)F 524424780 KKWBCGQUEXCDHP-HNNXBMFYSA-N 499.901 5.208 30 20 JKED CCN(C(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1)[C@H](C)c1ccc(C#N)cc1 589305368 SJQNKZWTWFZFCC-JOCHJYFZSA-N 454.570 5.882 30 20 JKED Cc1c(C#N)c(NC(=O)CCSc2nc3ccccc3n2C(F)F)n(Cc2ccco2)c1C 590654828 AZJKAPOTRIRGNS-UHFFFAOYSA-N 469.517 5.484 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc(OC)c1Br 603601148 RNAVDWZESHWBIK-UHFFFAOYSA-N 468.307 5.086 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604134566 VJLXSIOQLSZUDL-VWLOTQADSA-N 456.546 5.321 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3[nH]c4ccc(Br)cc4c3Cl)cn2)c1 604234719 JSJZIJZHMGQRES-UHFFFAOYSA-N 467.710 5.895 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 604500233 OTKFXDAQIGUQBW-UHFFFAOYSA-N 460.225 5.065 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 604523327 IMJPGSPDKGGGPH-KCWPFWIISA-N 483.568 5.224 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3nc(C4CC4)n(-c4ccccc4Cl)n3)cn2)c1 604528460 SBKWYSFASCSMGJ-UHFFFAOYSA-N 456.893 5.109 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1oc2ccccc2c1CS(C)(=O)=O 608803957 GSTMIQRUWVUNCF-UHFFFAOYSA-N 476.529 5.144 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)c(-c4nnc5n4CCCCC5)c3)o2)cc1 609056289 NZMDPOHWUKLVEZ-UHFFFAOYSA-N 487.947 5.621 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)o2)cc1 609057325 NXUXDWMPBKDWSI-KBPBESRZSA-N 460.374 5.370 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 609060927 PNSVDFOZMPHZTK-UHFFFAOYSA-N 494.016 5.652 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 609375594 VABAGLKXNIPZQA-UHFFFAOYSA-N 453.907 6.299 30 20 JKED COc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1S(=O)(=O)Nc1ccc(C)cc1 609382873 VKBOCKXYOCESAX-SFHVURJKSA-N 495.626 5.309 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(C(F)(F)F)c1 609400035 FNUPKDGLHSQNEY-GFCCVEGCSA-N 489.441 5.546 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 609431115 SMYMAZJPZWDIBN-HTAPYJJXSA-N 479.005 6.117 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 609438384 LXNZBYTWVZMEEX-HXOBKFHXSA-N 479.552 5.398 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1OC 613932375 LSRDAVSRJQQUKA-KRWDZBQOSA-N 462.575 5.198 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc12 618295580 UHFZYGKLQIOHCC-TXEJJXNPSA-N 479.421 5.737 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C(F)(F)F)c2C)c1 621644855 ILPFVGBBNALQQN-UHFFFAOYSA-N 498.914 5.024 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)Cc2ccccc2)c1 641933121 IWNCYCPOENXKRR-UHFFFAOYSA-N 469.006 5.384 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(C)cc3)s2)nnc1-c1ccc(Cl)cc1 649471187 FFDKBDDOHZBAKK-UHFFFAOYSA-N 483.022 5.489 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 726322670 ZFALKMKTJCXDAM-VFNWGFHPSA-N 485.531 6.232 30 20 JKED CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2ccc(Cl)cc2Cl)N(Cc2cc3ccccc3[nH]2)C1=O 726396333 JEYUGUNVGLLJCH-FFORTULISA-N 489.428 5.172 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2F)c1 726398949 VZJPSZQYLMOBGY-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1[nH]c2ccc(CN3C(=O)[C@H](CC(=O)NC4CC4)S/C3=N/[C@@H](C)c3cccs3)cc2c1C 726415227 GBLZBNXBMSWWIU-ZRGIPMBISA-N 480.659 5.076 30 20 JKED CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=S)Nc3ccc(C#N)c(Cl)c3)cc2)cc1 726474555 JCCNAAGVVDOPGU-UHFFFAOYSA-N 485.034 5.481 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727626832 GUODWHHYVQRQRH-OAQYLSRUSA-N 460.603 5.203 30 20 JKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)NCc1ccc(OCC#N)cc1 727844428 QZDNXHYDRXUVIE-UHFFFAOYSA-N 457.452 5.599 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc2ccccc12 728420986 MANIBPUVAUVVDM-DEOSSOPVSA-N 486.597 5.098 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1OCC(=O)Nc1ccccc1Cl 728439031 VACDTJLMXOERLD-RMKNXTFCSA-N 455.869 5.107 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCCCC#N)c1cccs1 728776874 CLBYJROJVCPCNZ-VTPWXYDOSA-N 476.574 5.110 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 729189119 WBWGSPRSWMHGFD-HSZRJFAPSA-N 469.541 5.312 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C2CCC2)c1 730458600 AVUPHENMQWQHJN-HSZRJFAPSA-N 459.571 5.361 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)cc1 730474218 KJUZVQLRHDDBKP-FQEVSTJZSA-N 465.500 6.542 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)O[C@H](C)C2 730685566 ACTHXJLMOIBQSD-BGIURUKPSA-N 473.356 5.167 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c(C)c1 730714063 WYYCWEFFFXHDED-HXUWFJFHSA-N 468.966 5.105 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 731068614 HFMFFNQDCZIPTR-ZIAGYGMSSA-N 467.374 5.337 30 20 JKED C/C(=C/C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C(F)(F)F)cc1 731078460 OBVDLMAZMNNDJQ-DFSFMLJYSA-N 462.493 5.542 30 20 JKED C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 731278367 OQAAHPUBOGNRQP-IKRTZVAJSA-N 482.650 5.112 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731307103 PMRCXUVYIMSICL-DHIUTWEWSA-N 493.535 5.318 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)s1 731307126 PPJILJBPJODVSQ-NRFANRHFSA-N 483.590 5.316 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccccc1)c1cccs1 731311509 DINJCPGWNCJOLR-PGVXXPKTSA-N 479.627 5.086 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1cccc(F)c1)c1cccs1 731311881 IIWWSYCNICGFME-ZRGIPMBISA-N 497.617 5.225 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc3ccccc3o2)c1 731316298 VSGLWEGPFTTYNH-RUZDIDTESA-N 495.560 5.280 30 20 JKED CN(C)c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)cc1 745397911 DECYBCIXCFYVIW-HSZRJFAPSA-N 494.567 5.191 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=S)Nc1cccc(Br)c1 745724253 NQGZMFGAQFPPFP-UHFFFAOYSA-N 454.368 6.172 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1F 745991231 RHGVAHSSMJLGTJ-QGZVFWFLSA-N 452.338 5.255 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)cc1 747598659 CNJSMELYVLVSJO-OAQYLSRUSA-N 478.643 5.271 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cscn2)C1=O)Nc1ccccc1F 747600088 NITJLTOTBDYYIA-GOSISDBHSA-N 474.970 5.096 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccsc2)cc1OC 749105506 UIHWEVRTXHHALB-XVNBXDOJSA-N 457.935 5.332 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 750393087 XEBPXECCFWQMCR-SFHVURJKSA-N 487.553 5.875 30 20 JKED Cc1cccc(-c2nnc(SCc3nc4ccccc4c(=O)n3CC#N)n2-c2ccc(Cl)cc2)c1 799058997 JDXYWKOKUSCYGQ-UHFFFAOYSA-N 498.999 5.422 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c1 799222799 JBUPZGFEGAIXHI-IBGZPJMESA-N 463.525 5.388 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)c1 807914123 CLCJCHSXVMFZCB-QGZVFWFLSA-N 463.613 5.682 30 20 JKED N#Cc1ccc(N2CC[C@@H](OC(=O)c3c4c(nc5ccccc35)/C(=C/c3ccco3)CC4)C2=O)cc1 812491469 UIWQFGQPNHVRJK-OJHGWFAHSA-N 475.504 5.149 30 20 JKED Cc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 824076452 RXCRPFZUZYQCMI-MSOLQXFVSA-N 472.570 5.027 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)/C=C3/N(C)c4ccccc4C3(C)C)nc(O)c2C#N)cc1 824963338 AETIVPTZIBJUQN-YQCVNYCESA-N 486.597 5.091 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 837301290 SXMPWVCSRYYQNK-ZHRRBRCNSA-N 483.540 5.539 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@H](C)c2cccnc2)cc1 837917335 FJRILHWAMVOKGD-HOYKHHGWSA-N 488.613 5.374 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccccc3Cc3ccccc3)nc(O)c2C#N)cc1 857992197 UOOLZAPZPYUHID-SFHVURJKSA-N 496.592 5.440 30 20 JKED Cc1csc(SCc2ccccc2C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1 913208682 OSSBKUJAMVTVDJ-KRWDZBQOSA-N 483.590 5.375 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(F)c2)c1 914772518 BLPHGWFIFQEZFF-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CS(=O)(=O)c1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)cc1 914835999 ULWVLOFKEBCDPJ-UHFFFAOYSA-N 470.554 5.194 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1 915086858 XQYYAIOMPGNRJT-QPPBQGQZSA-N 478.379 5.892 30 20 JKED Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCCC2)c1 915179167 ATHCDMBSGSQGBD-VWLOTQADSA-N 472.610 5.684 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1 915187677 RMGHKXMULKOKBK-QGZVFWFLSA-N 461.326 5.148 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1c[nH]c2ccc(Br)cc12)CCCCC3 916272688 IDVDZBPJQCLLPM-UHFFFAOYSA-N 455.381 5.161 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 916908437 PVJSDJNWOBUJIR-AZGAKELHSA-N 464.569 5.466 30 20 JKED N#C[C@H](C(=O)COc1ccccc1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917043490 MGLZUNCINRDPHO-GOSISDBHSA-N 452.457 6.237 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=S)Nc2ccccc2C(F)(F)F)cs1 917533076 FFKMITBIEFINRU-UHFFFAOYSA-N 477.537 5.475 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(OCCCC(=O)O)cc2)cs1 917562322 FCQRGUXQHOBWGT-MDWZMJQESA-N 484.961 5.621 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1F 917675005 DXAFKDSOXNXDNQ-OAQYLSRUSA-N 496.495 5.034 30 20 JKED FC(F)(F)c1ccc(-c2nc(C=Nn3c(S)nnc3[C@H]3COc4ccccc4O3)cs2)cc1 918710193 GKFVYLNLTUMFHO-QGZVFWFLSA-N 489.504 5.104 30 20 JKED CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 919558520 SPMADNPDMLAURW-UHFFFAOYSA-N 468.724 5.053 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2cc(Br)cs2)n1 919631679 MMPUEDPMVBOCCV-UHFFFAOYSA-N 494.417 5.045 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1Cl 919776478 QHDIHKDFOQSZAT-XMMPIXPASA-N 460.965 5.154 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)nnc1-c1cccs1 920143612 SMBNBVNYOUTDOX-INIZCTEOSA-N 481.628 5.127 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3c(C)noc3C)C2=O)cc1 920353861 UYLLPLUTFRHBND-HSZRJFAPSA-N 492.601 5.159 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 920354892 IFCUQMACZLRWLX-JOCHJYFZSA-N 497.020 5.722 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN(c2ccccc2)c2ccccc2)cs1 920355822 GEMWIWLZZUVVQX-UHFFFAOYSA-N 480.515 7.019 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2nnn(-c3ccccc3)c2C)cs1 920390054 XBJUJWCKZSJXDI-RAXLEYEMSA-N 463.950 5.266 30 20 JKED C[C@@H](C#N)CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1 920449491 YAQLOJHYVRGNGE-SFHVURJKSA-N 499.995 5.106 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806426 LBDQHDDZYHZIPW-SWLSCSKDSA-N 475.517 5.164 30 20 JKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3cc(OC)c(O)cc3Br)c(=O)oc2c1 921266019 VAYKIGIFWDZSEB-VQHVLOKHSA-N 472.335 5.012 30 20 JKED CSc1nc(O)c(C(=O)Nc2nc(-c3ccc(OCc4ccccc4)cc3)cs2)cc1C#N 1337476971 JOHKIBPPPUGOTK-UHFFFAOYSA-N 474.567 5.336 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3cc(F)ccc3s2)C1 1779023976 BWUXWQHVZULGKJ-ATIYNZHBSA-N 472.626 5.160 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3)cc2)CCC1 1785860863 BJHNBIXLCBONCB-QHCPKHFHSA-N 495.595 5.492 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccc(F)cc4)cc3)CCC2)c1 1786031505 MVIFJFOOJDNKAK-IZZNHLLZSA-N 483.543 5.257 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])o4)cc3)CCC2)c1 1786208301 YGJZWJGGNZNFLE-NCUBBLFSSA-N 484.512 5.276 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1786361144 SKHBHHIAWRYUIB-LJQANCHMSA-N 481.552 5.214 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786696580 BXOACSKWFMIUBR-ZTKZIYFRSA-N 497.039 5.105 30 20 JKED Cc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)s1 1788867192 ZAMFNKHENGPNHC-UHFFFAOYSA-N 474.586 5.172 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)cc1 1790286794 KPEIGHPOCWZRSS-CLJLJLNGSA-N 465.553 5.118 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccnc4ccc(Br)cc34)cc2)CCC1 1790837262 ZRBYSDGQLVTSMA-CQSZACIVSA-N 484.419 5.063 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791585000 UFDVVFSLXMKECW-DHIUTWEWSA-N 481.637 5.008 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc(C)n3)CCC2)cc1)c1ccc(O)cc1 1791641769 JGKGNOWGZJQYHX-QFIPXVFZSA-N 467.569 5.041 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccc(Cl)cc5n4)CCC3)cc2)c1 1792123540 HQDHBVKPBZDAQE-GOSISDBHSA-N 497.986 5.676 30 20 JKED CCc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168702 SZXCUDJLELDGAE-UHFFFAOYSA-N 486.572 5.266 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCCCCCCCCc4ccccc4)[C@H]3C2)C1 1792216229 KCYUXQGUKOGDOU-MYKRZTLLSA-N 480.693 5.296 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)cc(C)nc2c1 1797957053 CARRVLKFZHZZIA-WKCHPHFGSA-N 451.998 5.217 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(OCc2nc(C(C)(C)C)cs2)c1 1800816695 RFNRRISOCIVEEP-PSWRPDDJSA-N 495.689 5.484 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn(-c3ccccc3Cl)c1C(F)(F)F)C2 1801638962 FTXSOZKYXUIFNI-WCXIOVBPSA-N 494.945 5.009 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)[C@@H]2c2cccnc2)C1 1802416037 MHCWCYSBBYIROC-LEAFIULHSA-N 483.587 5.097 30 20 JKED Cc1ccccc1CCC(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810270898 BRSIUIXHUICBFX-UHSQPCAPSA-N 489.736 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1810500608 AGQLYFIWPKESRG-HTAPYJJXSA-N 475.967 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c(C)cc2OC)[C@H]1c1cccnc1 1810503254 OZMROERIGMQOAK-RDGATRHJSA-N 463.622 5.019 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)sc3Cl)[C@H]2c2cccnc2)c1 1811105517 RSLPCOWBUBDWDE-DYESRHJHSA-N 499.423 5.263 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(ccc4ncccc43)s2)[C@@H]1c1cccnc1 1811288134 YYVASKQMRFWBRG-KMRXNPHXSA-N 496.636 5.358 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1811696191 YZUVMGKTHHVSNS-LXFBAYGMSA-N 483.637 5.107 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)cc12 1811742973 LJRKSSWRHOHCBL-RXFWQSSRSA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1811763383 IOLSVJVWXDKMFM-UGKGYDQZSA-N 473.539 5.412 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1812593007 WXQSYYGYHQJQIZ-QXATTWAWSA-N 460.405 5.229 30 20 JKED COc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1812810106 XTNHIBVTDACQRY-YIXXDRMTSA-N 490.648 5.278 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)c(C(F)(F)F)o1 1814378447 OADJLDCUWYVFAH-HXUWFJFHSA-N 499.493 5.140 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2cccc(Cl)c2)n[nH]1 1814665460 XRGJQVPRYURGCB-HXUWFJFHSA-N 458.990 5.127 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2ccncc2)n[nH]1)c1ccccc1 1815940891 BJPWFLKEYNFXGB-AHWVRZQESA-N 483.616 5.017 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817744156 MFUYTFXDLPHEJC-CVDCTZTESA-N 457.578 5.298 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)[nH]n1 1818114384 WWSWCYKEHHIMCC-BLGFXRMMSA-N 486.956 5.009 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3s2)n[nH]1 1819075879 ZYUGXRZWYXHMPG-KRWDZBQOSA-N 485.407 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)[nH]n1 1819305656 MQDVVZOQCZWMQO-RCZVLFRGSA-N 499.615 5.555 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1819366757 BQDXWUZMXRCPNN-JTHBVZDNSA-N 486.572 5.188 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(Cl)s2)[nH]n1)c1ccccc1 1819518633 BMWSKKLPFSAMAQ-HKUYNNGSSA-N 482.009 5.023 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)noc2CCC)[nH]n1)c1ccccc1 1819519306 QTNRREJRDCTJFO-GGAORHGYSA-N 487.604 5.162 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2cccc(Cl)c2)[nH]n1 1819552251 GYBCIMZKJBNROW-FQEVSTJZSA-N 458.990 5.127 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)[nH]n1 1819557003 SROXRZLSBQRGQL-NRFANRHFSA-N 482.625 5.044 30 20 JKED Cc1cccc(C)c1SCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1819590518 TYQWIRYULXYSQH-JOCHJYFZSA-N 491.592 5.136 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cnccc34)[nH]n2)c1Cl 1820219832 ZRRZODLIVYRIQM-JOCHJYFZSA-N 484.947 5.103 30 20 JKED Cc1cc(C)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1820545648 LPDXJWTWOXAHKH-NTKDMRAZSA-N 455.562 5.273 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821290156 PAVYNYAMDCAJTG-SJCJKPOMSA-N 453.345 5.374 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821989592 BBVNDUUHFQLXJW-MRXNPFEDSA-N 474.405 5.085 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[nH]n1 1822399435 BJIRZFOVPNAUBR-HXUWFJFHSA-N 465.941 5.132 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1)c1ccc(O)cc1 1822469346 KYOUILJMBIQYBA-ZHCYEPILSA-N 496.558 5.050 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCCn3cccc3)[nH]n2)c1 1823215554 VDBOISNFVRUXNA-HYBUGGRVSA-N 472.593 5.015 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)ccc(F)c1F 1823215868 IHPUCEZMBKLWGK-QRQCRPRQSA-N 477.515 5.243 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)c1 1823216247 RMEXNRXPSLGUQU-JLTOFOAXSA-N 497.933 5.588 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c1 1823218575 SXXJNDCPJYLVLK-IVZQSRNASA-N 479.943 5.449 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cccs3)[nH]n2)cc1C#N 1823290699 MCYUTNSTMYMUHZ-CRWWQRIJSA-N 489.601 5.149 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CSC3CCCC3)[nH]n2)cc1C#N 1823291460 SOGXTKDIZPOLJT-QFIPXVFZSA-N 495.649 5.050 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1cc(F)ccc1C(F)(F)F 1823302454 IQIDOLXBPKZFCL-OAHLLOKOSA-N 492.395 5.216 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCN(C)C(=O)OC(C)(C)C)n[nH]1 1823522437 KDPAOLBRZUAGAR-FQEVSTJZSA-N 489.661 5.041 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1823658158 IPSCLNOUMLMSMU-RLWLMLJZSA-N 486.660 5.553 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C1 1823701204 CNQSJZKJNYPMEM-HHHXNRCGSA-N 458.602 5.678 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)c1 1826535520 YUEXVKLXCDXSDE-DTCUCFNRSA-N 455.602 5.260 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734381 CSKCRVHOICDCNE-CVDCTZTESA-N 469.025 6.046 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)cc2c1 1828122596 JWOFQCYIGAYBNB-VWLOTQADSA-N 489.019 5.549 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)COC3)CC1)c1ccccc1 1828236910 MEUAZDGDJGQGCA-VMPREFPWSA-N 484.640 5.147 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828510215 QRDLVVCNTINPEI-QHCPKHFHSA-N 473.539 5.224 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2Cl)CC1 1828822123 XDVGKEJCLKNOJK-VWNXMTODSA-N 461.021 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1828827674 RFYLWUKMWIWTIW-CLJLJLNGSA-N 493.648 5.035 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829563160 LYZSOPOVWRMOTD-SANMLTNESA-N 467.613 5.253 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 1830416417 PYMFXHLGBLWRHT-ICSRJNTNSA-N 461.672 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)cc2F)CC1 1830510974 LSSROIJTXGRDGA-QFIPXVFZSA-N 450.545 5.330 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)ccc1F 1830567166 YDUIVOVKZZCVNC-QHCPKHFHSA-N 467.972 5.206 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1830633006 ANHHMGZOZYGJPD-AOYPEHQESA-N 490.047 5.369 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Br)c(Cl)cc3F)CC2)C1 1830686160 IQDKRWFYKPKURI-OAQYLSRUSA-N 497.836 5.441 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC(C)C)cc2)CC1 1830692922 QRMMAJKQHCWQDH-SANMLTNESA-N 454.655 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)c(C)cc2OC)CC1 1830784837 CNSNSAKNYYQPQY-ILBGXUMGSA-N 452.639 5.314 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4nscc34)CC2)c1 1830973891 RGPIGPGJAOHZMN-NIYFSFCBSA-N 486.641 5.470 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1ccc(Cl)cc1 1831307911 VTKOCQGERDNXSJ-DNQXCXABSA-N 470.057 5.393 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1831371057 SVGLMJWRVNEZLR-CLOONOSVSA-N 481.587 5.472 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1)C(F)(F)F 1831451381 SMECIUDRCWJMPG-OAQYLSRUSA-N 499.533 5.780 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cnc4[nH]ccc4c3)CC2)c1 1831731663 KMAXWCLKFLISRM-ZBLYBZFDSA-N 497.643 5.056 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1832028534 VTKJPUPTHSIVFT-VIUUMSQESA-N 475.677 5.178 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)cc1C#N 1832390572 NXEDXOVNTMUFNH-BTLUKQCFSA-N 491.676 5.549 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707263 PHPNREZVRKBQRO-VQTJNVASSA-N 474.564 5.032 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1832825674 GJXRUILMBJJMOH-XMMPIXPASA-N 478.633 5.287 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)CC1 1838122236 DFSKGXPVLCOWJP-AREMUKBSSA-N 487.644 5.129 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1 1838373550 VXUNKUICRPAKAX-OAQYLSRUSA-N 493.475 5.682 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)C1 1843195811 BBIRZDLOQGOGJY-NRFANRHFSA-N 483.534 5.353 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N(CCC#N)c1ccccc1 8988839 GJWHMFVWQFDSEO-SFHVURJKSA-N 480.037 6.141 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172749 VHEJATUBOCKTBQ-UHFFFAOYSA-O 486.564 5.336 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173615 HYFYRGNNFXEKQH-UHFFFAOYSA-O 485.698 6.857 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(F)c(Cl)c1 10359544 UXMYDATXEUJGLQ-DEOSSOPVSA-N 490.991 6.008 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C#N 10711146 OTAVHHYYAYVNQT-UHFFFAOYSA-N 470.765 5.308 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113250 DZNJEFNJJLOAPX-UHFFFAOYSA-O 484.038 6.617 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)nnc1-c1cccc(C)c1 22160377 JXQIDYQRILUSFU-HNNXBMFYSA-N 491.667 6.319 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccc(N(C)C)cc2)cc1 22732804 NYTGIZARIMPKGN-UHFFFAOYSA-O 483.057 5.760 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)CCC2 22790732 PFWXDYRTXVACKI-UHFFFAOYSA-O 491.680 5.825 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1cccc(C)c1 29830844 TZYSRGMIEYGIPT-RUZDIDTESA-N 484.625 6.229 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccco1 32330522 YQLRJHPHMAAHOQ-QGZVFWFLSA-N 450.486 5.498 30 20 JKED C[C@H]1CCCCN1C(=O)c1ccc(NCC(=O)Nc2ccccc2SCC#N)cc1Cl 59805736 YQROJWYNORFWKD-INIZCTEOSA-N 456.999 5.021 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1Cl 69643220 XLOZZIYWLQKYJY-UHFFFAOYSA-N 490.976 5.327 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)o1 195695432 YGJLUAHRDJHWDA-UHFFFAOYSA-N 480.307 6.477 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)nnc1-c1ccncc1 255929525 GLDARFJKPYLZQQ-UHFFFAOYSA-N 494.045 6.062 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(Br)c2)c1 255935555 NBCXLSZYKZTJHQ-UHFFFAOYSA-N 466.360 5.304 30 20 JKED Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)C2)cc1 303223110 VLJXRCITECVUEQ-QFIPXVFZSA-N 482.584 5.120 30 20 JKED COc1cccc(N2CC[C@H](NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)c1 480347875 NHGMOSGQOAQCPA-NRFANRHFSA-N 476.964 5.200 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)c2)cc1 482730528 GVSXVOQCMCXQTR-DEOSSOPVSA-N 493.485 5.463 30 20 JKED CC1(C)CC[C@@H](NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc21 486784296 AYWJNZKNQNVJIS-RUZDIDTESA-N 453.542 5.005 30 20 JKED CC(C)n1ncc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cnc21 487290220 NHOADVYKFLWXMP-UHFFFAOYSA-N 470.480 5.202 30 20 JKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)cc1 493979537 CGSXBPKAYHDGBV-LJQANCHMSA-N 479.403 5.884 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(C)C)cc2F)nnc1-c1ccc(Cl)cc1Cl 497860847 VXHZFNCBAKKBPA-UHFFFAOYSA-N 495.407 6.095 30 20 JKED COc1cc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OC(C)C 497888948 DHWULYARHAMCTG-HXUWFJFHSA-N 460.578 5.367 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 498289309 TZYFUULBORNIBP-UHFFFAOYSA-N 479.524 5.025 30 20 JKED N#C[C@H](NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1ccc(F)cc1 498347819 GXKWKIYXJJYADG-KRWDZBQOSA-N 462.834 5.167 30 20 JKED C[C@@H](NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 499237466 NFRFLTWGGMNAIN-MRXNPFEDSA-N 467.447 5.086 30 20 JKED COc1cccc(/C=C(\CC(=O)N[C@H](C)c2ccc(C#N)cc2)c2nc3ccccc3s2)c1 499238291 SLTUFZQEOZXIOL-SDLXJUDFSA-N 453.567 5.985 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 500114502 MTRXXXDXUMKVOO-UHFFFAOYSA-N 478.749 5.439 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 504017422 HZBPSHRBWCWNHU-UHFFFAOYSA-N 481.955 5.805 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2nccs2)nnc1-c1ccc(Cl)cc1 505042627 VEHCLNYUMPGFSR-HXUWFJFHSA-N 482.034 5.239 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 505692533 WEPGNPBUIVRIRZ-UHFFFAOYSA-N 468.513 5.355 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC2)cc1 511392972 ZIRSLOAIKLAFJD-UHFFFAOYSA-N 458.537 5.016 30 20 JKED Cc1c([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1-c1ccc(F)cc1 511441387 QPWXWFINYSKXEL-QGZVFWFLSA-N 482.519 5.327 30 20 JKED COc1ccc(OC)c(CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C2CC2)c1 511507609 SPWPZKLFWXLCBF-UHFFFAOYSA-N 470.529 5.024 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc(OC)c1OCc1ccccc1 514685448 XUYIVICAJNKXOR-UHFFFAOYSA-N 462.571 5.737 30 20 JKED CCNc1nc(SCCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)nc2ccccc12 514905177 QEYDBJOSEJQKMA-UHFFFAOYSA-N 474.590 5.114 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 515691074 VTBKASMTIBOLJC-UHFFFAOYSA-N 485.590 5.290 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2sc(-c3ccccc3)cc2C#N)CC1 515697239 CYJSKOZUAHSGRG-UHFFFAOYSA-N 479.989 5.440 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc(-c2ccccc2)cs1 516466172 SHWBBFLCTFAYOB-ZDUSSCGKSA-N 472.414 6.248 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 518125382 MYEOLNWKSWWWPC-UHFFFAOYSA-N 463.378 5.249 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 518516642 QJWWBKVHHPGFMQ-SFHVURJKSA-N 460.971 6.257 30 20 JKED C=CCN(C(=O)c1ccc(Br)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 519108790 ANSBVHSATLWITO-UHFFFAOYSA-N 462.300 5.453 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 520183917 UPNZZAAQVHKCCL-SFHVURJKSA-N 467.491 6.575 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)CC2)c1 520547422 HPOXNGUBKPBLKH-UHFFFAOYSA-N 457.477 5.384 30 20 JKED N#Cc1c(F)cccc1N1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 521563253 SMZPEXRNLGOKEC-UHFFFAOYSA-N 461.349 5.090 30 20 JKED CCC(CC)(CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)cc1 523970102 REISQRUHYLQCIJ-UHFFFAOYSA-N 476.964 5.212 30 20 JKED Cc1sc2nc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)nc(O)c2c1C 524411731 TUWNUNPXOLRVEV-UHFFFAOYSA-N 458.543 5.036 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(I)c(Br)c1 553329743 MTLVMTKWWASTFL-UHFFFAOYSA-N 487.160 5.312 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 591861817 FJKCLFDNYOEZNR-QINHECLXSA-N 482.005 5.608 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)cn2)c1 603621872 ARUHMOFLKRNHPI-UHFFFAOYSA-N 482.471 5.154 30 20 JKED COc1cccc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1OC 603672440 FYZAQRPZYKABJL-UHFFFAOYSA-N 475.492 5.213 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1Cl 604130849 CXELQFXMAZKGSK-NRFANRHFSA-N 485.893 5.312 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](CCCc3ccccc3)c3ccccc3)cn2)c1 604132910 ACBZFLCSXOAQOJ-HHHXNRCGSA-N 490.563 5.564 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)cn1 609082607 SROZIRPBTUAPLC-UHFFFAOYSA-N 454.433 5.067 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)O[C@@H](C)C2 609355450 BSQNCNFWLFBZQS-DQXHVOOISA-N 496.567 5.210 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 609377224 RFYFNOKDXOYOJI-TZIWHRDSSA-N 457.599 5.582 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OC1CCCC1 609404745 PWKJHZBOAYVRAP-ZWKOTPCHSA-N 481.618 5.084 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC(F)F 609433883 PPOIYHGSDAVIGB-UHFFFAOYSA-N 453.445 5.325 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 609435410 NNZGJINECDTDJG-KDOFPFPSSA-N 476.465 6.544 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1-c1ccccc1 613344892 SUJRTFQYKWAQCI-QGZVFWFLSA-N 453.354 6.101 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2ccc(C)cc2)n1 614513185 OVFJVLPJQSNFGW-UHFFFAOYSA-N 475.643 5.797 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 614762303 HQZWKYYABQMHBX-UHFFFAOYSA-N 470.451 5.012 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618304769 ZCBFHEKDCADFRH-BETUJISGSA-N 482.421 5.651 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622092900 KZPCQMSFIDJABW-RABLLNBGSA-N 464.372 6.317 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 624599712 XODIFUXSDAGADN-UHFFFAOYSA-N 455.514 5.486 30 20 JKED COCCn1cc(C(=O)c2cc(F)ccc2OCc2sc3ccccc3c2Cl)cc(C#N)c1=O 680859398 DRSOUVPVYMLNQB-UHFFFAOYSA-N 496.947 5.184 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ccccn3)C2=O)cc1 726421446 QNUMSFPJQYINPM-LGHZOPOGSA-N 464.616 5.042 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1cc(Cl)ccc1Cl 728109537 TVHILZFFAUVIRO-CYBMUJFWSA-N 459.285 5.221 30 20 JKED COc1ccc(Br)cc1-c1nc(COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cs1 728347777 JJOHZCUEWWVYEX-HXUWFJFHSA-N 498.402 5.165 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccc(Cl)cc2)cc1 728422259 GDHNFKGPBFCMEO-QHCPKHFHSA-N 499.983 5.244 30 20 JKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 728668200 PGXZUVKJVFBULK-AWEZNQCLSA-N 465.849 5.096 30 20 JKED CC(=O)N(c1nc(COC(=O)CSc2ccc(C#N)cc2)cs1)c1ccc(C)cc1C 728680453 SMBOUZKYARPMTD-UHFFFAOYSA-N 451.573 5.152 30 20 JKED CCCC1C/C(=C/c2nccn2CC(F)(F)F)C(=O)/C(=C/c2nccn2CC(F)(F)F)C1 728694958 NYPUWJSCOVQGPT-MBKDJOQRSA-N 460.422 5.450 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(Cl)c1 728776715 DQLJCMXUDPLBAT-HSZRJFAPSA-N 491.016 6.147 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cc4ccc(OCc5ccccc5)cc4[nH]3)CC2)c1 729418126 XGZBIZDWVGKGSA-UHFFFAOYSA-N 451.526 5.302 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2C2CCC2)c1 730463132 SNUFMODFXOOGEN-QHCPKHFHSA-N 497.617 5.005 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(C[C@@H]2CCCO2)C1=O 730537421 QULYDQNWNJBJHI-WMZHIEFXSA-N 499.608 5.062 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 730689766 LCRAKIPJECIDRL-ZFWWWQNUSA-N 479.048 5.490 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccc(Br)cc2)CCC1 731068946 BSJCVEBKBLSYTQ-MRXNPFEDSA-N 487.419 5.447 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731073403 WDOYAJMNJFIKGW-INIZCTEOSA-N 497.020 5.261 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2)c(N)c1 731080148 IUMXBXZYYSZGQG-MRXNPFEDSA-N 495.988 5.904 30 20 JKED Cc1sc2ncn(N=Cc3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)c2c1-c1ccccc1 744684885 CHSZUDZIXUKLDZ-UHFFFAOYSA-N 455.499 5.015 30 20 JKED N#C[C@H](C(=O)CCc1ccc(Br)cc1F)c1nc(-c2c(F)cccc2F)cs1 745313829 YFPHUSNTGWAKGM-CYBMUJFWSA-N 465.294 5.799 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)c(C)c1 746416844 QTWAYVSWKFJHKG-INIZCTEOSA-N 458.370 6.003 30 20 JKED O=C1/C(=C\c2ccc3ncccc3c2)CN(Cc2ccccn2)C/C1=C\c1ccc2ncccc2c1 747317468 VYMPLUYUCMYASZ-JTXLREJOSA-N 468.560 5.730 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cs1 747614984 QXJJRIDVXHCOJG-GHXNOFRVSA-N 498.395 5.920 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 812447491 MMISAJWQKQXISU-UHFFFAOYSA-N 451.533 5.151 30 20 JKED Cc1sc2ncn(N=Cc3nc(N(C)C)n(-c4ccccc4)c3Cl)c(=O)c2c1-c1ccccc1 818231398 VDGZQNKNLXJYOP-UHFFFAOYSA-N 489.004 5.221 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 837780372 NRSNBYFLKZKCFU-AVRWGWEMSA-N 498.583 6.095 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccs3)C2=O)cc1 837835503 SHBCGIFMCWTNIY-JOCHJYFZSA-N 477.611 5.420 30 20 JKED C=CCOc1c(Br)cc(CNc2cc(C(=O)N(C)C)ccc2Cl)cc1OCC 863995926 KLDRMAFETVQKAK-UHFFFAOYSA-N 467.791 5.380 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccccc2COC(C)C)C1=O 914539691 GRUWUBKUYCYSHZ-FQEVSTJZSA-N 494.444 5.186 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(C(=O)c3ccc(C)cc3C)CC2)c1=S 914784609 NNEIWQMCAOMSAD-UHFFFAOYSA-N 464.610 5.575 30 20 JKED COc1ccc2c(C)c(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c(=O)oc2c1 915102306 WAOFCRZUXMOWQE-HXUWFJFHSA-N 478.957 5.696 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N2CCCC2)cc1 915353663 VYDUESDNHGSUAA-SVBPBHIXSA-N 454.574 5.309 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1sc2cc(Cl)ccc2c1Cl 916886108 DQEPXTOICWXVMJ-CYBMUJFWSA-N 471.337 6.484 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916902254 WYEHRSRTHGGSGA-OAQYLSRUSA-N 488.927 5.943 30 20 JKED COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1OCc1c(C)noc1C 917040541 LLSWVXGRDCWSMT-XSFOEPMVSA-N 492.482 5.514 30 20 JKED COc1ccc2c(C)c(CCC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c(=O)oc2c1 917047165 SHNTXVJJSRAHRF-QGZVFWFLSA-N 452.919 5.182 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)c1 917663471 CULZYCPKCUUYGV-NRFANRHFSA-N 499.589 5.065 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)n3)C2=O)c1 917675734 ZSMIJHDDLFEKAJ-QHCPKHFHSA-N 458.587 5.167 30 20 JKED CSCc1c(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)oc2ccccc12 917809010 XPTDSLODTQXJGP-XTCLZLMSSA-N 485.631 5.141 30 20 JKED CN(c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F)C1CCCCC1 919653403 WIUDJPTVYRWJRO-OKILXGFUSA-N 469.445 6.189 30 20 JKED C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)c1 919837876 NRFXZMHNXGXCMQ-UHFFFAOYSA-N 470.978 5.372 30 20 JKED COc1cc(/C=C/C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1c(C)noc1C 920101772 IERAJKWEHGRJHV-FKVRIVCVSA-N 483.524 5.274 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 920141509 PRLGNNGIARWFHY-OAQYLSRUSA-N 470.579 5.445 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(C(F)(F)F)c2)s1 920171287 SKGYNOCZDRNTRS-ACJLOTCBSA-N 481.565 5.437 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@H]2CCc3c(Cl)cccc32)C1=O 920171808 YWWFECTXALBNRT-ROUUACIJSA-N 481.927 5.114 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1nc(-c2c(F)cccc2F)cs1 920804578 VXXZXYWSEGLPDS-OAHLLOKOSA-N 468.481 5.089 30 20 JKED Cc1nn(C)c(C)c1C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 920832027 BCIFYKAXLDJHGA-ZRDIBKRKSA-N 468.557 5.006 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4cccc(Cl)c4)cc3)CCC2)cc1 1785992282 YXYGRRWQHDJGQQ-UHFFFAOYSA-N 473.960 5.233 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)[S@@](=O)c3ccccc3)CCC2)cc1 1786104489 VHIKQIGKHUGNGT-NLINSNCNSA-N 464.631 5.085 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCC2)cc1 1786359851 RVRQXYXQGJQKQA-GOSISDBHSA-N 476.960 5.386 30 20 JKED Cc1cc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)ccn1 1786741869 PCPQQGNCJRZZFK-HXUWFJFHSA-N 466.585 5.398 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccco5)no4)cc3)CCC2)cc1 1788420535 UUWXNTMJZGXDFG-UHFFFAOYSA-N 466.497 5.062 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cncn4-c4ccc(Cl)cc4F)cc3)CCC2)CCC1 1788689999 ZQEJPHQFDZZNBO-UHFFFAOYSA-N 491.954 5.106 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)c[nH]4)cc3)CCC2)c1 1788721158 HAZSEPIMDMDMSD-UHFFFAOYSA-N 470.426 5.106 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5s4)cc3)CCC2)c(C#N)c1 1788971422 QOBQWYRZPNENDA-UHFFFAOYSA-N 496.592 5.167 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3=Cc4ccccc4NC(=O)C3)cc2)CCC1 1789999243 DSRRWCGMIWEDEF-DEOSSOPVSA-N 469.585 5.315 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(Br)ccc3O)cc2)CCC1)C(F)(F)F 1790246253 QNHPYHJHGMQBJI-UHFFFAOYSA-N 483.284 5.021 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)C45CC(C(F)(F)F)(C4)C5)CCC3)cc2)ccc1F 1790520900 CCFDCAUYSWMJKP-UHFFFAOYSA-N 485.481 5.107 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc5ncccc45)CCC3)cc2)cc1 1790705282 QBLNMVXXLVUHBZ-UHFFFAOYSA-N 474.564 5.291 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCCn4cccc4)CCC3)cc2)cc1 1790706752 SXBWYBQAGXEXSE-UHFFFAOYSA-N 454.574 5.172 30 20 JKED Cc1ccncc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785275 ZVNZJOKCXWJHEY-UHFFFAOYSA-N 478.474 5.342 30 20 JKED COc1ccc2c(CC(=O)NC3(c4ccc(NC(=O)c5cc(C)cc(C#N)c5)cc4)CCC3)c[nH]c2c1 1790795467 YVIIZHCCNGTTGY-UHFFFAOYSA-N 492.579 5.347 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccnc4ccc(Br)cc34)cc2)CCC1 1790837251 YMVWQKUWWUQTTH-UHFFFAOYSA-N 476.374 5.158 30 20 JKED CCCCCc1ncc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)ON=C(C)C)CCC3)cc2)s1 1791077253 LBNSHWYMUFVEGZ-SFHVURJKSA-N 470.639 5.424 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H](c3ccc(Cl)cc3)N(C)C)cc2)CCC1 1791125444 CAVHDKADUYPBEP-VWLOTQADSA-N 484.040 5.060 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnccn4)c3)CCC2)cc1 1791300363 BIWSDKSYJQSBRG-UHFFFAOYSA-N 462.500 5.103 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CO)c(F)c4)cc3)CCC2)c1 1792192392 FCZDOMAVLZTKOA-SFHVURJKSA-N 471.532 5.007 30 20 JKED COc1cccc(Cl)c1C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792240500 CSSIKRHVWCVSFO-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)C2 1798338036 OGUZPFCEXIAZCK-IYWMVGAKSA-N 479.846 5.052 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CC1)C2 1798422817 XGOVPFUOMNUGLW-NUNAXRQHSA-N 471.117 5.061 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1OCc1ccccc1)C2 1801637784 QORSYNVAVGQLBV-UVUJQTEASA-N 467.009 5.383 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1C#N 1801817861 DDZPJJRQUBVGOV-COFYWFGJSA-N 465.638 5.060 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccc(C)cc4)CCCCC3)[C@@H]2c2cccnc2)C1 1802414043 PBFHJDRYXLFYKW-SHQCIBLASA-N 471.645 5.264 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1802498961 PNVVGEJUBWSQJI-OSONTHIHSA-N 471.601 5.539 30 20 JKED N#CCc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4c[nH]c(-c5ccc(F)cc5)c4)C3)CC2)cc1 1807699676 RSRCRJVQKKALED-UHFFFAOYSA-N 484.575 5.045 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1810168596 JPPIDVYQYIRQME-KICKQETISA-N 477.571 5.225 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCC2)[C@@H]1c1cccnc1)c1ccccc1 1810443916 NJNJCTNJRTWENK-HYCPNNLWSA-N 469.629 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810503571 QOCNCGQUCXQLRI-RCZVLFRGSA-N 498.067 5.834 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc3ccoc23)[C@H]1c1cccnc1)c1ccccc1 1812230675 VITKJYHEVLRBPF-FULLSBAXSA-N 491.591 5.345 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1812808015 UJMQLMCAKVYHKZ-AEAGWUPHSA-N 488.676 6.025 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1 1812808178 FHXHCYLPLFXPMU-AZGAKELHSA-N 460.622 5.269 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CCCC3)n[nH]2)c1 1814684392 NHUMROQLBOMRPH-DEOSSOPVSA-N 467.573 5.099 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1817119067 RUFAGAGDRUJWKW-XMMPIXPASA-N 478.556 5.235 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)c1 1817590173 OTALOSRDIURCJK-BCHFMIIMSA-N 494.599 5.457 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccoc3C(F)(F)F)n[nH]2)c1Cl 1818211973 PVJCLALPNQOEBE-MRXNPFEDSA-N 491.857 5.166 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)[nH]n1 1819384987 FKNKIMYVHIKNPU-FQEVSTJZSA-N 481.698 5.081 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c(C)n1 1819386558 SNMXQFYGQYGEES-XMMPIXPASA-N 493.728 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1819386786 HUSBKUMQWPIVNQ-OAQYLSRUSA-N 496.087 5.292 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2onc3ccccc23)[nH]n1)c1ccccc1 1819521170 YKRJTJVQAKOYCW-YKSBVNFPSA-N 481.556 5.054 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2Cl)n[nH]1 1820188122 XFGDICSAWIYAMO-INIZCTEOSA-N 488.869 5.182 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)[nH]n2)c1Cl 1820218171 NYYXXMCWOMVQIT-FUHWJXTLSA-N 475.927 5.066 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)[nH]n2)c1Cl 1820218619 WOGXGZYLEYCNNS-OAQYLSRUSA-N 491.954 5.112 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)cc1 1820434202 AYZUKJPAXMWDIF-IBGZPJMESA-N 468.344 5.208 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)cc1 1820470049 ZIKONSGFACYCNE-OAQYLSRUSA-N 481.478 5.114 30 20 JKED Cc1ccc([C@@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1822063145 MPMVUDDAHZCWHP-XQKMKWSOSA-N 476.602 5.015 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[nH]n1 1822389987 XKKGPIFHKLOAAE-JOCHJYFZSA-N 491.979 5.360 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)[nH]n1 1822391797 NTWABTOKEUOMLX-FQEVSTJZSA-N 483.494 5.086 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)cc1 1823275527 YCGNGLYFZCRAFI-NRFANRHFSA-N 497.933 5.152 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 1823682895 MCRQPNLEFQZPEC-XMMPIXPASA-N 481.999 5.217 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1823750186 AXMBUVPIMBUVOW-OAQYLSRUSA-N 477.093 5.517 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824448816 DKHDDZBKUWFFHW-HSZRJFAPSA-N 496.639 5.567 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)CC2)c1 1826763617 BDDMXYKSDZXLFX-PGRDOPGGSA-N 475.555 5.280 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CNc2ccc(F)cc2)CC1)c1ccccc1 1826837791 KNISSELVMWUXAA-WUFINQPMSA-N 489.635 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1826950238 AWQFZYGQCMUSNR-KODFZCBSSA-N 477.693 5.439 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)CC1 1827339695 OWHVYGKKGRVAPD-DEOSSOPVSA-N 462.638 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)CC1 1828232544 SCHYDIWSLWMTKA-AREMUKBSSA-N 461.650 5.769 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1828823734 ATBBUBMAZQPVNN-LOSJGSFVSA-N 475.633 5.652 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2cccnc2)CC1 1828907864 KAXUPCFGPHZAGU-AREMUKBSSA-N 481.757 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccc(C)cc2)CC1 1829068345 QSKNDWPTCWMDFD-VWLOTQADSA-N 454.655 5.376 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1829071282 RWKGCZVVQCADKB-NRFANRHFSA-N 487.666 5.299 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)CC1 1829415403 VTYKZIDNWWISNA-JOCHJYFZSA-N 463.544 5.102 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)n(C)c2C)CC1)c1ccccc1 1829544417 HRGNXPJIXDIUHH-XTEPFMGCSA-N 473.661 5.072 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1 1830361219 INRYCFKQHIBKDD-HHHXNRCGSA-N 475.608 5.297 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830451952 NUPKAVVUFFNZPU-XMMPIXPASA-N 467.560 5.193 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1 1830628686 VFTIRXCTMFTONH-VWLOTQADSA-N 481.999 5.021 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnn(C(C)(C)C)c3Cl)CC2)c1 1830767346 AKGUPMBSZXRRIB-HSZRJFAPSA-N 496.055 5.019 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1831444362 LWQJKEKWXSMBFM-XMMPIXPASA-N 497.586 5.202 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Sc2cccs2)CC1 1831445397 IDKLMHHKRUNOEL-WMZOPIPTSA-N 456.624 5.060 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1831446582 BOSOUDYFOPGWME-RUZDIDTESA-N 483.603 5.539 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1832633753 NJZBPPQVCGHXPC-RXFWQSSRSA-N 461.581 5.308 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634803 ZVEAAZNJGBNWFX-HYBUGGRVSA-N 490.673 5.368 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635677 OIUAVOOGSSXYSZ-DFBJGRDBSA-N 494.035 5.523 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)cc1C#N 1832702011 ALHOZAQMSBAPHI-BDYUSTAISA-N 491.607 5.290 30 20 JKED Cc1cscc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703845 VVAPCHBZKVOYQC-DEOSSOPVSA-N 479.646 5.263 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1835457273 HAZVDHUAOPYDGW-JWQCQUIFSA-N 486.100 5.008 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 9823377 ZLZOBDXJZSQSJK-QFIPXVFZSA-N 474.417 5.388 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)C(=O)Nc1ccccc1C#N 11021054 QZJGVKQFICVNBU-QGZVFWFLSA-N 473.989 5.638 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 11128890 WPNRPJYQGYQCAL-UHFFFAOYSA-O 465.467 5.884 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(Cl)c(Cl)c1 11158754 XGJGDFRKQUUOFD-UHFFFAOYSA-O 499.270 7.201 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2cccc(O)c2)cc1 11262442 UVHNQOHUEJVWII-UHFFFAOYSA-O 470.412 5.617 30 20 JKED N#Cc1ccsc1NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 14626432 FKQBBACBVUETMK-UHFFFAOYSA-N 473.579 5.268 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cs1)c1ccc(F)cc1F 15188222 DJRLCRORSXWVDI-XVNBXDOJSA-N 487.742 6.962 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)cc1 20053578 HHROZLHQBASSTP-UHFFFAOYSA-N 477.952 5.524 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NCc3ccco3)s2)n(C2CCCCC2)c1C 21737046 KLBIBIHNVYTJGX-UHFFFAOYSA-N 470.624 5.269 30 20 JKED C=CCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 21838371 ZNZCZMNDDVUKGR-UHFFFAOYSA-N 488.634 5.565 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(Cl)c2C)cc1 22728215 FKVWIFXOXONQJO-UHFFFAOYSA-O 459.969 6.218 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1C 22730660 MSMWCMPXQWNRPR-UHFFFAOYSA-O 496.656 5.441 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731416 ZCKXWKVKHPKICI-UHFFFAOYSA-O 487.670 6.384 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1ccc(OC(F)(F)F)cc1 23604410 SPDGKAMMWKUQDH-UHFFFAOYSA-O 462.517 5.431 30 20 JKED CCOc1cc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)c(OCC)cc1NC(=O)c1ccccc1 24162049 WWKBJJMPMUNAFG-GOSISDBHSA-N 472.545 5.047 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)nnc1-c1ccccc1 24446636 OAQXKEHKTXSCLZ-DEOSSOPVSA-N 484.581 5.010 30 20 JKED C[C@@H](OC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)N(CCC#N)c1ccccc1 26007094 WHCHTLKHLUUJBD-QGZVFWFLSA-N 483.446 5.385 30 20 JKED COc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1NC(=O)c1cccnc1 26240940 YMJHNAPBNBYMCP-UHFFFAOYSA-N 480.549 5.618 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793530 HFUMVXZXVNOMRJ-UHFFFAOYSA-O 478.638 5.444 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)c2)c1 31776986 XWRWHDHWWJUZDI-UHFFFAOYSA-N 486.531 5.148 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32289369 XQENJRNGQKYMQP-UHFFFAOYSA-N 461.880 6.146 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 32457382 WIVYYFQDSHVKAV-VWLOTQADSA-N 485.588 5.017 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1F 195568884 UBFNAPNYLXQQJP-LBPRGKRZSA-N 451.354 5.696 30 20 JKED COc1cc(C(=O)N(CC#N)c2ccccc2)ccc1OCc1ccc(Br)cc1 215738060 LJZQGSBPAZNJDW-UHFFFAOYSA-N 451.320 5.207 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 254840121 DGWWQOKYTUUYLR-UHFFFAOYSA-N 461.974 5.380 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 302974403 OSXITWBTQGMNAX-UHFFFAOYSA-N 487.600 5.158 30 20 JKED C=CCOc1c(Br)cc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cc1OCC 489344733 LEAVSRDAQUOSIP-DEOSSOPVSA-N 494.389 5.574 30 20 JKED N#Cc1ccc(SCc2nc(O)c3c(-c4ccc(Br)cc4)csc3n2)nc1 498158041 XMKPIMSYXXJEJF-UHFFFAOYSA-N 455.362 5.385 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1 500323183 PKAOCYVRAHGLEN-UHFFFAOYSA-N 494.378 5.042 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)c2)cc1 501423106 LKUAHFSZPWKXNL-UHFFFAOYSA-N 471.944 6.211 30 20 JKED C=CCN(C(=O)c1csc(-c2cccs2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 502889046 VCTAOLPUJRSZCE-UHFFFAOYSA-N 454.558 5.736 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(-n2cncn2)cc1 503833312 SJTQNBGELZTEPL-SBUREZEXSA-N 456.937 5.459 30 20 JKED Cc1nc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)sc1SCC#N 504836847 KGEVTVGNFVOEJW-UHFFFAOYSA-N 466.419 5.358 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CC2)cc1 506178641 UTOSEWOUSUMMQK-AREMUKBSSA-N 458.993 5.219 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2I)cc1 508442486 CGCZSJHWBJONGC-UHFFFAOYSA-N 470.266 5.216 30 20 JKED N#Cc1c(NC(=O)COc2ccc(Oc3ccccn3)cc2)sc2c1-c1ccccc1CC2 511077713 BEISQJZZSGCTME-UHFFFAOYSA-N 453.523 5.590 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512171776 SGSRCKQWQVLGLI-FOIQADDNSA-N 462.531 5.146 30 20 JKED Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4ccccc4-c4ccccc4C#N)CC3)n2)cc1 513181772 RSQYNEKWHVHHEX-OAQYLSRUSA-N 477.568 5.103 30 20 JKED N#C[C@H](C(=O)c1ccc(SCc2ccccc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513654993 OTCSMBSVRTZJAW-HXUWFJFHSA-N 471.607 6.058 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 515439858 FXIAECSNNBONBI-UHFFFAOYSA-N 465.865 5.110 30 20 JKED C[C@@H]1CN(Cc2ccccc2CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H](C)O1 516105295 NISXUWZIRNHJSC-FGZHOGPDSA-N 485.653 5.390 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)n1 516352716 ZKDNZPFGYFRAKP-IBGZPJMESA-N 475.526 5.147 30 20 JKED C=CCn1c(SCC(=O)Nc2cnn(Cc3ccccc3)c2)nnc1-c1ccc(Cl)cc1Cl 516539874 XERGDAKDJHSTGJ-UHFFFAOYSA-N 499.427 5.414 30 20 JKED COc1cccc(/C=C(\CC(=O)Nc2ccccc2S[C@H](C)CC#N)c2nc3ccccc3s2)c1 518241077 UNVMSLJCZZKJJG-SRMPHAGFSA-N 499.661 7.269 30 20 JKED Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 518243602 YLWQVMDCUXAQMH-LJQANCHMSA-N 479.627 5.120 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(Cl)cc1 518675083 ZMILOUGFJBXDJJ-IBGZPJMESA-N 483.943 5.817 30 20 JKED CCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 519112277 QQSNYFSXZHLTLU-UHFFFAOYSA-N 499.636 5.284 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1S[C@H](C)CC#N)O[C@H](C)C2 520941025 BOJVMWPHZFPCRY-RDBAUFEQSA-N 451.592 5.481 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 521726889 MWSZJRJXIAAQNM-PGRDOPGGSA-N 484.581 6.067 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521842152 MMBSYKBLYZMCFI-GOSISDBHSA-N 467.491 6.575 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl 522493368 ZPDSLYSCBXZSGD-HNNXBMFYSA-N 483.355 5.047 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 523299185 CFKSYZOLIXOIDM-QFIPXVFZSA-N 498.970 5.860 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 523380983 PCHRJPAHEMUTOR-IEUSDUHPSA-N 451.570 5.143 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)c2)cc1 524664423 PHZOVWGHMGLBIG-UHFFFAOYSA-N 475.936 5.282 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 524676228 MACKFVSAZXHAQN-RTBURBONSA-N 459.571 5.547 30 20 JKED C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 557053121 RPRODQJCOLEGOK-QGZVFWFLSA-N 484.021 5.678 30 20 JKED CN(C(=O)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1)c1ccccc1 560620403 FETSPJMPASLQCX-UHFFFAOYSA-N 451.448 5.040 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 565264436 OHWGATWYZBAHQC-QHCPKHFHSA-N 457.961 5.297 30 20 JKED CCOC(=O)c1sc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c(C#N)c1C 591589386 NTBDMVAMMLHPSS-UHFFFAOYSA-N 457.602 5.414 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc1 594899506 ACZGDWSZFCWFGG-OAHLLOKOSA-N 460.347 5.285 30 20 JKED C=CCN(C(=O)COc1ccc(F)cc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459369 SIHXUEWWCJZFQZ-UHFFFAOYSA-N 492.326 5.218 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl 603744325 HNAKTPLXWAQFRW-UHFFFAOYSA-N 472.328 5.859 30 20 JKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])cc1OC 603758760 GDNPDCTYVYFXLM-SFHVURJKSA-N 451.866 5.173 30 20 JKED N#Cc1c(SCC(=O)NCc2cccc(COCc3ccco3)c2)nc2c(c1-c1ccco1)CCC2 603904502 MLGQPAYEVFRABH-UHFFFAOYSA-N 499.592 5.420 30 20 JKED CCn1c(SCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)nnc1-c1cccc(C)c1 603995373 IJNFMDUDRKHXAE-UHFFFAOYSA-N 496.596 5.128 30 20 JKED COc1cc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)n2)cc(Cl)c1OC 604113830 DDJNFKXHYYMURN-LBPRGKRZSA-N 486.981 5.036 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C 604450992 XJYORCKUTAPJQT-IAGOWNOFSA-N 472.433 5.284 30 20 JKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 604554614 PDASMOXBDLRDEO-KRWDZBQOSA-N 490.658 5.150 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cs1 608788705 ORLLWYYECXBZPO-UHFFFAOYSA-N 487.629 5.167 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1cc(C#N)ccc1OC(F)F 609066994 QEYDWXGWSOYLNP-UHFFFAOYSA-N 465.287 5.450 30 20 JKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609104539 HAZGUOPXBVASCN-UHFFFAOYSA-N 467.500 5.296 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@@H]1C 609156704 ILLJSNOAHGIXGG-AMDXRBSFSA-N 494.595 5.777 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 609437035 LPSFWYDRAQLWSN-OFNKIYASSA-N 479.646 6.062 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(Br)cc4)c3)n2)cc1 613319368 YLHGNGUBQOKUID-LJQANCHMSA-N 463.360 5.557 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc(-c3ccccc3)nc21 613402497 CAUWPHUHLYZRGQ-QGZVFWFLSA-N 457.946 5.871 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 623250550 GGYFAPBMDDRMEQ-UHFFFAOYSA-N 456.424 5.139 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccccc3)S/C2=N/CCc2ccccn2)s1 726107475 DOWGOLABDPYRBZ-BOXWKXTKSA-N 478.643 5.084 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccc(F)cc2)cn1 726114465 WJPUHMWXSGJDAR-OAQYLSRUSA-N 499.999 5.164 30 20 JKED CC(C)COC(=O)N1CCC(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1 726144237 WJZVWAOCJJXVJX-UHFFFAOYSA-N 494.539 5.067 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 726392800 IDJIRYUXEZDJCJ-HNAYVOBHSA-N 479.524 5.091 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC[C@@H](C)OC)c1 726399261 NASRJISSLKREGK-KOSHJBKYSA-N 491.613 5.234 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 726409821 DQZLUNDTUNLEAA-GAJHUEQPSA-N 489.000 5.438 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(C)C)cc1F 726410897 JIGRFADRZUKMGW-OAQYLSRUSA-N 457.571 5.067 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@H](C)c3ccccn3)C2=O)cc1 726421641 RGXRWLOAMIJLGT-BHPDCDLFSA-N 478.643 5.603 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cc1NC(C)=O 726429388 SZOPTPLICNITTK-SQUITACLSA-N 461.358 5.422 30 20 JKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)c1 726453617 JPZOTLDAMPUQSU-KRWDZBQOSA-N 463.006 6.130 30 20 JKED CON=Cc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccc(C)s4)sc3c2)cc1 726538035 USJHZKGYEACJSD-UHFFFAOYSA-N 450.545 5.151 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)CC(C)C)ccc1Cl 726559212 AWFOPDAJTMGIBJ-QGZVFWFLSA-N 480.417 5.043 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc([N+](=O)[O-])c2)[n+]2ccc3c(c2)CCCC3)c1 726573415 CBZDMVFUCYODGR-UHFFFAOYSA-O 456.547 5.066 30 20 JKED O=C(/C=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)cc1Br 727264156 OHCSLTNOMFAKGL-QHHAFSJGSA-N 469.148 5.083 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(NN=C(C)c2sc(-c3ccc(Cl)cc3)nc2C)nc1 727648484 HAXHRWGMFRSKRY-UHFFFAOYSA-N 478.043 5.034 30 20 JKED COCCCN1Cc2cccc(N=Cc3cc(Br)cc(Br)c3O)c2C1 727972836 GOURJJBAIVKRJU-UHFFFAOYSA-N 468.189 5.020 30 20 JKED CCN(C(C)=O)c1nc(/C=C2\CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cs1 728438601 IJVDXAICFTYYEM-GXDHUFHOSA-N 488.432 5.614 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCc3cccnc3)cc2)cc1C 728552258 TWMLCLFKTFMYIE-UHFFFAOYSA-N 451.530 5.307 30 20 JKED CC(C)N1C/C(=C\c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C/c2ccc(O[C@H](C)C#N)cc2)C1 728694704 GLAQIDOQJLMDPD-LKFMBIJPSA-N 455.558 5.028 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCCCC#N)C2=O)cc1Cl 728778520 SLHBUNNUVXXVSD-FQEVSTJZSA-N 472.973 5.442 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CCCCC#N)C2=O)c1 728778954 WCDJLFHZEAEONZ-FQEVSTJZSA-N 488.972 5.142 30 20 JKED Cc1ccc(CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C(C)C)s1 729034723 OESUMAMKKZZOPC-LVWGJNHUSA-N 476.668 5.092 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1 729145309 KBKOBUGGUQCVPY-FQEVSTJZSA-N 482.606 5.368 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc(F)ccc2F)C1=O 729633536 DZIJSRPAGMILBR-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1C#N 729633571 YJHBEFPBIGZBEM-HSZRJFAPSA-N 476.602 5.157 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CCC3)C2=O)cc1 730462339 MWEMHSUQZVCIKA-JOCHJYFZSA-N 497.020 5.513 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 730687217 MHCIVWUCTPNESP-INIZCTEOSA-N 471.529 6.556 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731305099 GWLBPOZNULHYKB-BTYIYWSLSA-N 480.977 5.162 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)CCc2ccco2)cc1 731305765 PAMJBMYCHCXNAL-FDDCHVKYSA-N 477.586 5.275 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731306535 AGPSNWWMZHXMNC-LJQANCHMSA-N 493.507 5.194 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731310835 RAVSAGYPOKZZTG-PKTZIBPZSA-N 493.535 5.318 30 20 JKED C[C@H](Sc1nnc(-c2ccncc2)n1CC(F)(F)F)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 743553252 BJNNWDDUFWEGHG-HYTQYMIGSA-N 487.551 5.264 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc3c(c2)COC3)[n+]2ccc(CC)cc2)C=C1 746020213 FTQZEANMNFOOEA-UHFFFAOYSA-O 475.590 5.151 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(CCOC(C)(C)C)C2=O)cc1 746693856 FUHCATBPDDOFGN-JOCHJYFZSA-N 499.608 5.112 30 20 JKED CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 751115035 PXNLFFOLDDXWBU-UHFFFAOYSA-N 488.487 5.097 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CC(F)(F)F)C2=O)cc1 799210581 BPYNXVUFYVLRSX-IBGZPJMESA-N 479.524 5.306 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CC(F)(F)F)C2=O)cc1 799212840 YFWRVDNFUDBRFU-SFHVURJKSA-N 483.487 5.137 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(Cl)c1 799222206 YAEOQAAMLUISHR-KRWDZBQOSA-N 479.961 5.248 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCC(=O)Nc1oc(C)c(C)c1C#N 823029781 NZHMKNMHVNJFQK-UHFFFAOYSA-N 453.498 5.016 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 837704255 KQYVQGPIIQIANI-IIBYNOLFSA-N 464.978 5.457 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC(F)(F)F 838530404 AVOPAQPNIAROKQ-FQEVSTJZSA-N 487.503 5.371 30 20 JKED CC(C)Cn1cc([C@@H]2N(C(=O)c3ccccc3Oc3ccccc3C#N)CC23CCOCC3)cn1 849538494 LGPYVBSVYGFACC-SANMLTNESA-N 470.573 5.197 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 914482178 MKIVPBOQCCPXDK-UHFFFAOYSA-N 498.004 5.073 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CC(C)(C)c2ccccc2)C1=O 914690749 DLLCJGZOMZAXKX-GOSISDBHSA-N 477.602 5.047 30 20 JKED CCN1CCC[C@@H]1Cn1c(C)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1C 914693693 LFUXFZFMPBGKKN-JOCHJYFZSA-N 457.047 5.009 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)cc1 914772494 AGXALJRNFJTANE-HSZRJFAPSA-N 495.551 5.272 30 20 JKED CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 914955650 BCBARFHETLBZJJ-QZTJIDSGSA-N 490.560 5.107 30 20 JKED COc1nn(C)c2nc(C)c(CCC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c(C)c12 915102447 ZJIBAZKPKDCQFJ-GOSISDBHSA-N 479.993 5.180 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1nc2cc(C(F)(F)F)ccc2s1 915103742 DHQGDSJFNDMBQP-OAHLLOKOSA-N 474.460 5.316 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915104224 NODACANASGHSQC-AWEZNQCLSA-N 471.920 5.548 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 915180754 RNZBNAYLXBERKM-SANMLTNESA-N 457.489 5.395 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 915285940 RKBQYPVGVZNKRV-DEOSSOPVSA-N 458.562 5.460 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1ccc(Cl)c2cccnc12 915467727 QUUCTTZLHXCDQW-UHFFFAOYSA-N 475.726 5.043 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCCC2)cc1 915781428 UEDQYFDNPMTWJW-RUZDIDTESA-N 455.533 5.048 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc(Oc3ncccc3C#N)cc1C)O[C@@H](C)C2 915860286 QWECACHCIRBOMG-HKMNZKMDSA-N 455.514 5.428 30 20 JKED O=C(O)C(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc2ccccc2n1 916138275 CYUCAXBCDOYKLD-SFQUDFHCSA-N 493.269 5.360 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916210704 HAEVLKKKBZYAGT-QAPCUYQASA-N 478.401 5.133 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(Cl)c1 916215603 XZWPCDUOALTLEQ-SFHVURJKSA-N 464.374 5.148 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CC2)C1=O)Nc1ccccc1Br 916217085 DUQLFXKATCDXHZ-OAQYLSRUSA-N 494.414 5.725 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 916679286 MUGFHCJDLPTNNL-MUUNZHRXSA-N 453.586 6.541 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)o1 916906606 FSOCAMJWPJEVJP-OAQYLSRUSA-N 482.492 5.621 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916909552 PNMFERTVNNTDAW-XMMPIXPASA-N 495.535 5.553 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1OC 916947330 HLXOWHFLCWHROP-KSSFIOAISA-N 473.367 5.331 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1ccccc1C 916976929 XMPVPFUUOGEZCT-LJQANCHMSA-N 494.045 6.019 30 20 JKED COc1ccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(Cl)cc4)n3)ccc2c1 917561324 ASUSXFQSQGNYGS-XYOKQWHBSA-N 462.958 6.539 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(Cc2ccc(Oc3cc(C)ccc3C)nc2)C1=O 917669822 WXYURKUYDVVHJR-HSZRJFAPSA-N 488.613 5.067 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c1 917671403 XVQBJXCSAIRFHE-QHCPKHFHSA-N 494.567 5.446 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCCC1 917701710 AXUBHQAKKZTKPQ-FQEVSTJZSA-N 486.519 5.480 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=S)N[C@H]1c1cccc(C#N)c1 918027792 IXIAPTHDTOFWKQ-VWLOTQADSA-N 487.028 6.123 30 20 JKED CCOc1ccc([C@H](CNC(=O)c2ccccc2OCC#N)c2c[nH]c3ccccc23)cc1OC 919808069 PTSHKDDHGLCZRT-QFIPXVFZSA-N 469.541 5.039 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 920101538 CXMYSOKIJNKUCO-MRXNPFEDSA-N 461.930 5.649 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 920111590 OAOGDQCHBWINMP-FOIQADDNSA-N 454.452 5.366 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(OCc4ccccc4)cc3)n2)cc1 920140860 KGJDWRSIFQOGJT-DEOSSOPVSA-N 465.534 5.516 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(OCC(F)(F)F)cc2)cs1 920481304 ZJNPBXBYGGJVFI-IZZDOVSWSA-N 480.895 6.318 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(OC)c1 920870268 RSGFLWGUDIHXPI-UUOWRZLLSA-N 491.613 5.091 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 920871818 YBRPLERKQSUYSS-OXJNMPFZSA-N 493.551 5.257 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 928966357 ARRKSLSYBCOXHQ-IRLDBZIGSA-N 490.629 5.165 30 20 JKED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccccc4Oc4cccc5ccccc45)C[C@@H]32)C1 1783466825 QFEKZJRUOSMGKO-ONALNCHISA-N 496.607 5.192 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc(F)cnc4Cl)CCC3)cc2)cc1 1785796131 UEEGBAJCZYHCHL-UHFFFAOYSA-N 476.939 5.126 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)CCCOc3cccc(Br)c3)cc2)CCC1 1786308583 NCHPUJFFUMNQAA-UHFFFAOYSA-N 498.421 5.292 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)C[C@H]4OCCc5ccccc54)cc3)CCC2)ccc1F 1786313573 DZACOXLYEUYNEZ-HHHXNRCGSA-N 497.570 5.078 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4)cc3)CCC2)cc1C#N 1787724273 MNYCLQCXGBNUDX-UHFFFAOYSA-N 483.568 5.172 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789167774 POSLBRPGJICBHA-HXUWFJFHSA-N 483.653 5.370 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cc2)CCC1 1789191521 LHLYMVDZAZSWBN-RGRAMQFKSA-N 464.654 5.199 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1789458231 REINOMBDWOLLSI-GOTSBHOMSA-N 481.637 5.288 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790255908 BYKUUCVCGNIYNT-UHFFFAOYSA-N 497.986 5.483 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1790468228 UKEKTHUAMZRMPP-XUZZJYLKSA-N 495.664 5.536 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1790566656 XYGTYBVJEQSYBX-SFHVURJKSA-N 499.571 5.372 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CCC1 1790590553 CHSCXRZHPCYRCV-VWLOTQADSA-N 469.585 5.069 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1 1790651567 NTQTVDDKALIWAS-UHFFFAOYSA-N 478.486 5.575 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c(Cl)cccc45)cc3)CCC2)cc1 1790844303 USBOLLIPRFHGTG-UHFFFAOYSA-N 483.959 5.078 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc4cccnc4[nH]3)CCC2)cc1)c1ccc(O)cc1 1791646528 XGIWPYRBXNQONR-OAQYLSRUSA-N 492.579 5.213 30 20 JKED Cc1cc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)ccn1 1792123247 PNQNXNLXQFLVNM-HXUWFJFHSA-N 466.585 5.398 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)ccn1 1792168503 JMKRWRDFMJXVKP-UHFFFAOYSA-N 468.557 5.110 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nc(Br)sc3c1)C2 1793053269 ZTYOIIUJRIVKLT-BCDXTJNWSA-N 488.451 5.079 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ncccc13)C2 1798592635 SJQMYWGOQLAMTQ-NUNAXRQHSA-N 482.628 5.541 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2)c1ccc(C#Cc2ccccc2)cc1 1801727074 CMHHNHOJOLIUIS-IKEGPZBQSA-N 466.625 5.165 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1802390912 TUKNFSGSSBLTCX-WNJJXGMVSA-N 486.660 5.198 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[C@H]1c1cccnc1 1803210716 JZQKBJCVWRLUFC-NMOFPLQQSA-N 481.587 5.162 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1804842480 BCLFOEOUHNEWPK-RPLLCQBOSA-N 484.644 5.697 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cccc(F)c4s3)CC2)C1 1805455185 PGWXLHRVCYSWEZ-UHFFFAOYSA-N 454.611 5.654 30 20 JKED Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(OC(C)C)c(C#N)c4)CC3)C2)s1 1806985279 IGMBBXPZPMHIOP-UHFFFAOYSA-N 493.673 5.193 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1807730126 UJCBREASAXIGHR-MBSDFSHPSA-N 497.064 5.657 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Br)cs2)[C@H]1c1cccnc1 1808472956 ZFRPIDMDSILCQU-FXAWDEMLSA-N 490.467 5.218 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@H]3c3cccnc3)cc12 1809804878 JKYKARCFKLRVBJ-IDOVBLGQSA-N 491.595 5.132 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3cnccc23)[C@@H]1c1cccnc1 1809921004 LJBHHLVUZJNZPT-YWEHKCAJSA-N 498.703 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810173115 FEBURRHVZOWIGM-YSZBQJHXSA-N 489.513 5.328 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1810177878 IHDSQIGHLBAEHS-DCLXLUIPSA-N 486.443 5.785 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@H]1c1cccnc1 1810499204 VFQFRRFDZRSIAW-UUOWRZLLSA-N 480.559 5.153 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811749553 YTGNIUNWPHJSAZ-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812303094 QSNMGNQSGBUXBM-HEKZAOSPSA-N 467.569 5.513 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@H]1c1cccnc1 1812596411 QIQKOHIRBMISNG-NOXFTYBFSA-N 485.550 5.050 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)C[C@H](C)c3ccccc3)[C@H]2c2cccnc2)c1 1812735219 QKCKOSATIYUZCF-NCBCXYCLSA-N 480.612 5.222 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)COc2ccccc2C#N)[C@@H]1c1cccnc1 1812806722 DTIOICIFYATJRC-UFHPHHKVSA-N 490.648 5.035 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1813227047 XUBDRKPHURXJSJ-FUFSCUOVSA-N 481.596 5.387 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc(Cl)c2)[C@@H]1c1cccnc1 1813859863 YOGLDLYZWVTYPL-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)[C@H]1c1cccnc1 1814103533 PORNNFQQVHAIAE-YZNIXAGQSA-N 488.591 5.030 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[nH]n1 1815219244 CVYIJDMXNZGDKM-QRWLVFNGSA-N 491.419 5.032 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1815248754 JRJJXNFEOJFAGY-HYBUGGRVSA-N 476.602 5.569 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc(F)c3)CC2)n[nH]1 1815617415 XVSHZVQGPPSKQW-RBBKRZOGSA-N 450.558 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817211861 FDUICFFAKDSUJJ-LFSKCEFNSA-N 489.664 5.772 30 20 JKED Cc1cscc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1818240605 FGVABLPXCCYMLI-FQEVSTJZSA-N 456.688 5.137 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)cc2s1 1820221249 RGAUZHHZJNKFSC-IBGZPJMESA-N 492.992 5.406 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1 1820641798 GNWIFORWLAIOKS-UQBPGWFLSA-N 485.588 5.445 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)[nH]n2)CC1 1822105079 XVGOKWYVCNJQGS-SKPFHBQLSA-N 479.600 5.118 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1823214360 CFMVWZWFAQQJOA-YKSBVNFPSA-N 489.696 5.394 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)(C)C)cc3)[nH]n2)c1 1823216288 FZCVIMVZRCHZOE-UQBPGWFLSA-N 499.615 5.834 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)c1 1823218162 PLRYXVVGJOLYJI-AOMKIAJQSA-N 495.505 5.675 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823310778 JGDAGYJRRPEZMX-QGZVFWFLSA-N 467.784 5.479 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1823978257 YBZHTTNBPLXAKJ-DYESRHJHSA-N 452.973 5.275 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 1824497915 IXBPJXZJRSGJMP-AREMUKBSSA-N 466.666 5.101 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1824866280 PZYRXXXYPQUYOP-NEKDWFFYSA-N 471.645 5.488 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1824961081 HBDYCANODMKMKG-HSZRJFAPSA-N 472.054 5.041 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)CC1)c1ccccc1 1825404457 KFHSJVMALCSPNG-AHWVRZQESA-N 493.598 5.450 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)ccn1 1825429997 HRLZZWGSYHAMAF-SANMLTNESA-N 486.660 5.117 30 20 JKED C=CCCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cnccc34)CC2)c(O)n1 1825626082 QNFWTEWLKDHVDN-MHZLTWQESA-N 498.627 5.001 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825949963 INGXUJNUUFRMRU-UPVQGACJSA-N 454.655 5.887 30 20 JKED CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC#N)CC2)cc1 1826320608 DLYOBHWXSAEURP-GJZUVCINSA-N 495.664 5.207 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828150908 YDYVXFLBIYHZLM-DEOSSOPVSA-N 472.029 5.037 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828581347 HEFCFDPGEUGSPL-VWLOTQADSA-N 465.638 5.402 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828686579 YVXYVOZPUPKVHM-NFBKMPQASA-N 469.029 5.218 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1828827796 VGLLQAFFMFESAO-FYYLOGMGSA-N 499.652 5.628 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829784063 BHIZMMKQVGGFJM-CPJSRVTESA-N 463.597 5.333 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1 1829900749 OVVYKWGODJQYDW-UUOWRZLLSA-N 481.999 5.653 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830599102 BSSBYTVZVQNTKD-HHHXNRCGSA-N 487.644 5.477 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830717455 MGSAMCHYTFMPQV-FQRUVTKNSA-N 461.581 5.043 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1831377771 LOIJWUDQMSWCMR-QPTUXGOLSA-N 491.717 5.100 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccs3)CC2)c1 1832635123 VARJHVDMHCQEMK-CPJSRVTESA-N 463.647 5.241 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)s1 1843559806 KPUVNJRWLCZCLU-UHFFFAOYSA-N 475.536 5.067 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(Cl)cc1Cl 9847543 OSWNFOCCZHMLKN-UHFFFAOYSA-N 466.419 5.572 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCCCC2)nc2scc(-c3ccc(C)cc3)c2c1=O 11019412 SXPYVPJOUZXSJH-KRWDZBQOSA-N 453.633 5.113 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)sc1C)=C(/S)Nc1cccc(Br)c1 11089350 JJIVLNPGCQPENC-UHFFFAOYSA-O 474.469 6.028 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 16234590 FGTPMXLHBUZVBC-UHFFFAOYSA-N 457.477 5.428 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCc4sccc4[C@@H]3c3cccs3)nc12 16878975 OAMBQYJSGODBHD-OAQYLSRUSA-N 491.667 5.094 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 16879017 FFMKVUQVXJCVPF-JOCHJYFZSA-N 480.684 6.004 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccccc1 21684677 JCDQDZLWJWEVCC-HXUWFJFHSA-N 485.588 5.560 30 20 JKED N#CCCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 21839024 NHYJWHFIIFNGRD-UHFFFAOYSA-N 468.962 5.196 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nc2sc(C)c(C)c2c1=O 23631985 BSTCKBKPSLMISL-UHFFFAOYSA-N 485.656 5.694 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)c2ccccn2)cc1OCC 25363534 JEBPWLLMWWOXEH-HSZRJFAPSA-N 453.380 5.687 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3oc4ccccc4c3CSC)nc2C)n[nH]c1=S 25575686 MXDCHNWYUZNXKX-UHFFFAOYSA-N 457.606 5.420 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 29150267 VUMSBIIPJJLANO-UHFFFAOYSA-N 487.503 5.560 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 31682468 QHFJFEWOVQYPFW-LLVKDONJSA-N 493.383 5.010 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32288361 GMBCUPJDSVYDCV-DEOSSOPVSA-N 494.016 5.281 30 20 JKED Cc1nc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)sc1SCC#N 71961645 JXTOVVDHMLHIEQ-UHFFFAOYSA-N 451.602 5.488 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 108307752 CZMBEIUDTCJJNK-LHHJGKSTSA-N 471.944 5.801 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 108884435 JCQDLEVXUVXYOG-UHFFFAOYSA-N 473.532 6.035 30 20 JKED Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 116552472 MKYPXUJOABXUOG-UHFFFAOYSA-N 459.640 5.819 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 218648467 KVERSCASXLELDY-AWEZNQCLSA-N 490.585 5.066 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 302980682 PUTFSWREKCDFCM-VPUSJEBWSA-N 490.525 5.353 30 20 JKED Cc1cc(C)nc(-n2nc(C)c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2C)n1 302991001 XKJYVLPWUSRNQK-HXUWFJFHSA-N 476.993 5.092 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)cc2)c1 303126446 BEHKIDBXVOYSMR-UHFFFAOYSA-N 467.550 5.381 30 20 JKED COc1cc(Br)c(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 303181920 UOUXZHXQMBNXEK-UHFFFAOYSA-N 497.414 5.560 30 20 JKED N#C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(OCc2ccccc2)cc1 303241951 KFVXJOKCWAVLHE-XMMPIXPASA-N 452.514 5.019 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 303331872 JSNNQYUECIGQQI-LJQANCHMSA-N 493.592 6.386 30 20 JKED C=CCc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc(OC)c1OC 497323087 QHERYVFOKCIAEK-WNJJXGMVSA-N 498.623 5.229 30 20 JKED Cc1cc2nc(C)c(CCC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)c(C)n2n1 501162147 OSKYIVVLIQKAMC-UHFFFAOYSA-N 455.537 5.140 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501428267 UUCYCHBJVTYMSM-UHFFFAOYSA-N 470.554 5.664 30 20 JKED N#Cc1c(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)sc2c1-c1ccccc1CC2 508980041 PCEOCZHFMQQPRZ-UHFFFAOYSA-N 475.658 5.969 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@H](c3ccccc3C)C2)nnc1-c1ccc(Cl)cc1 509092389 BPNBWYCZEQVOPS-IBGZPJMESA-N 453.011 5.201 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4cccc(C(=O)Nc5cccc(C#N)c5)c4)CC3)c2c1 511500875 WAJCZKCEANJKKQ-UHFFFAOYSA-N 491.551 5.622 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1cccc(Br)c1)c1ccc(C(F)(F)F)cn1 513186757 OACJIUKTESVZFE-SFHVURJKSA-N 475.264 5.932 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)sc2C)cc1 513652590 AYMSKHCYVGFWQL-GOSISDBHSA-N 475.595 5.811 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 513800999 NIDOCWTVVSJGJK-UHFFFAOYSA-N 469.610 5.019 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccc(F)cc1 514290619 DEFKKEDYMRCMCK-GOSISDBHSA-N 464.566 5.693 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 518249685 XEFWBYPIJHBDDU-BVZFJXPGSA-N 489.666 5.865 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(OC)c1OC 524362305 MLBYNRDNWCHCBI-UHFFFAOYSA-N 461.518 5.049 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3c3cccc(Br)c3)o2)cc1 524415613 HQQICILGRLRJEQ-OAQYLSRUSA-N 451.320 5.470 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2nc(O)c3c(-c4ccc(C)s4)csc3n2)n1 591616524 SVKSORHSZMWHSO-UHFFFAOYSA-N 468.585 5.170 30 20 JKED COCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 591862566 WEYYVMMKKNPFTL-IBGZPJMESA-N 478.961 5.164 30 20 JKED COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1OCc1ccc(Br)s1 603637236 PCXQLXUUUNNGHT-UHFFFAOYSA-N 477.405 5.901 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 603702739 QGWHWFSFAGPNIG-RUZDIDTESA-N 496.954 5.552 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603831479 KJYLHNMTQLSCIN-UHFFFAOYSA-N 452.436 5.493 30 20 JKED N#Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)ccc1OCC(F)(F)F 603897356 BDIZQUWCRCLIIV-GOSISDBHSA-N 481.474 5.143 30 20 JKED N#Cc1c(NC(=O)c2ccccc2SCC(=O)N2CCCC2)sc2c1CCCCCC2 603996114 KZEOTVKZRXCTRL-UHFFFAOYSA-N 453.633 5.246 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C2CC2)cc1 604137964 JYNINBWHCLOGNL-ZCYQVOJMSA-N 473.960 5.210 30 20 JKED C[C@H](OCCCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 604139439 LIOKVGLRNYXMLY-CYFREDJKSA-N 475.976 5.218 30 20 JKED CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1)[C@@H](C)c1ccc(C#N)cc1 604448106 MQWISRWPNXEZJJ-SFHVURJKSA-N 450.546 5.096 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1C 604450518 DLXVGPKKACVRQK-UHFFFAOYSA-N 451.530 5.198 30 20 JKED Cc1ccc(I)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609061247 XPPVVEBGRZWAFA-UHFFFAOYSA-N 482.321 5.611 30 20 JKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609078697 JHHYNROVVUOLKK-UHFFFAOYSA-N 456.546 5.111 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)c2)cc1 609208628 ACQRVPTWNVVTLP-UHFFFAOYSA-N 474.948 5.384 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc(-c3cccs3)nc21 609378225 WJBBKCIPNYRPDR-MRXNPFEDSA-N 461.616 6.245 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346580 LZABRMKKYNGKOP-GOSISDBHSA-N 486.405 6.642 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1cscn1)c1nc2cc(C(F)(F)F)ccc2s1 613405322 YDVCLDQYYDASKM-OAHLLOKOSA-N 459.474 5.841 30 20 JKED Cc1ccc(Cc2cnc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)s2)cc1F 618539074 UKQMIPXPUPFKCI-STQMWFEESA-N 469.426 5.776 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 643193130 TTYUUVGCDZJCFR-UHFFFAOYSA-N 481.368 5.158 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccc(C)n2)cc1F 726412352 RIKMJDGJNOHYMU-QHCPKHFHSA-N 492.576 5.007 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1c(C)nn(CC)c1C 727252187 SQOBTCKPKDNUIZ-DEOSSOPVSA-N 489.645 5.243 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1ccccc1Br 728063128 WRDMPMMBGYWCKB-QGZVFWFLSA-N 464.363 5.647 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)N(c1nccs1)C1CCCCC1 728108414 HNGPGPOFPIHUSS-KRWDZBQOSA-N 479.558 5.098 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2F)c1 728200574 JNJBDNLQGYDDBJ-UHFFFAOYSA-N 494.526 5.579 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 728422695 KXBBGTHMTTZNCR-XMMPIXPASA-N 497.555 5.339 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CCCCC#N)c1 728777587 IXIAJOMJOQPCEF-OAQYLSRUSA-N 498.530 5.341 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(C)cc2C)cc1 729668470 KXSYRFKZVQMGBU-UHFFFAOYSA-O 479.622 5.925 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 730687015 LAYUENBRSAZKNW-RBSFLKMASA-N 451.737 5.415 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944150 RHCDLXZXINUBOE-CPJSRVTESA-N 486.641 5.982 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 731063193 KBPBRYOKFNMGAH-HNNXBMFYSA-N 486.018 5.440 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1cc(Br)cs1 731077547 LPMZACQXMRKABP-CYBMUJFWSA-N 467.410 5.019 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(Cc2ccc(F)cc2)n1 731080492 NQBQXSSAXRWZDR-OAHLLOKOSA-N 469.563 5.063 30 20 JKED C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 731253790 CJYRZPKYKBNZNK-CQSZACIVSA-N 496.778 5.244 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731308056 LPKRTJAEXVOSBK-ZCYQVOJMSA-N 471.582 5.504 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310812 QMHRQPYIKYXXIC-ZHRRBRCNSA-N 481.549 5.106 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(F)c2)c1 731312783 PBGHWYZOEIQPDV-QFIPXVFZSA-N 499.514 5.278 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC(Cc2ccccc2)Cc2ccccc2)cc1 746994105 ASFFFFGDKWDCDE-GDLZYMKVSA-N 473.576 5.251 30 20 JKED C[C@H](OC(=O)c1ccnc(Oc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 749291524 GTMNJFYMVIOMFT-INIZCTEOSA-N 461.543 5.260 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)c3cnn(C(C)C)c3n2)cc1 825891860 VLWYJHDHXSKFRK-OAQYLSRUSA-N 495.583 5.480 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837302524 XTSMQVLKGJKMEH-MBSDFSHPSA-N 474.586 5.120 30 20 JKED C=CCn1c(SCc2nc(C3CCOCC3)no2)nnc1-c1ccc(Cl)cc1Cl 904583505 CYKUHGJCFABVOV-UHFFFAOYSA-N 452.367 5.007 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 915085049 DSHROAQKXIRISP-VWNXMTODSA-N 478.379 5.892 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)n2)cc1 915099769 AKRPISOMJWFCCN-HXUWFJFHSA-N 465.525 5.125 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1 916205368 IRAWXELMQLOIGQ-HXUWFJFHSA-N 471.941 5.541 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 916206072 OBXRARJWSDYTFX-MRXNPFEDSA-N 452.338 5.279 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(OC)c1 916206498 RSGOMSQVBKUNLC-XMMPIXPASA-N 491.613 5.235 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1ccc(Cl)cc1Cl 916214076 JJBXUQMCZQMDTE-IBGZPJMESA-N 494.400 5.157 30 20 JKED Sc1nnc([C@@H]2CCCO2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 916368011 TZRUCQDXNKPHMU-VWLOTQADSA-N 492.608 5.820 30 20 JKED Cc1cccc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c(Cl)c12 916886574 HHZUFHBZPMTTEJ-ZDUSSCGKSA-N 450.919 6.139 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCCc1nc2ccccc2s1 916901806 RAEKVNOFHVOQAO-HNNXBMFYSA-N 455.967 5.327 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1Cl 916936148 BJNIMGDKJLCVPE-QGZVFWFLSA-N 487.314 5.681 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Br)cc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917044370 SUPZFVCOXVCFPT-NSHDSACASA-N 489.700 5.986 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 917506936 KRJRNLFNUFWFSO-FQEVSTJZSA-N 482.458 5.699 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cc2ccccc2n1Cc1ccccc1F 917507071 NHOJTFKIMZZCIJ-FQEVSTJZSA-N 485.515 5.156 30 20 JKED O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CC2(C/C1=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc12 917517845 MDCJYTPDXIYUSC-AXPXABNXSA-N 481.464 5.223 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 917637152 YRJGSLZSVRBXMZ-CQSZACIVSA-N 496.725 5.914 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)s2)c1 917666961 SKQCBVHYCJUNJV-OAQYLSRUSA-N 465.600 5.226 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc3nccnc3c2)ccc1Cl 917693877 LDGONFDCESIZGO-UHFFFAOYSA-N 496.951 5.056 30 20 JKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3-c3cccc(Br)c3)cs2)cc1 918711573 RCPZZGJWDIHGDH-UHFFFAOYSA-N 456.394 5.310 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(Cc2cccc(Br)c2)C(C)C)c1=S 919953970 GMSKXOHLSNNHNN-UHFFFAOYSA-N 458.429 5.293 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@@H](C)c2ccc(C)s2)C1=O 920168055 HXJUHEWDTCLAFI-MEDUHNTESA-N 456.420 5.192 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C[C@H]1CCCO[C@@H]1c1ccccc1 920352840 UUYDMNDSTJRYKJ-WHSBFGAESA-N 491.657 5.072 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2c(C)noc2C)cc1 920356381 UDKZENYCAIKMJL-RUZDIDTESA-N 498.608 5.914 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cc(Cl)ccc1Cl)C2 1779273719 CRDUPOJSERTTLH-POGFHVCPSA-N 493.475 5.208 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)CCC3)cc2)cc1 1785881454 AUGGDSWTPOAFAW-GMQQYTKMSA-N 479.605 5.123 30 20 JKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1)c1ccc(Cl)cc1 1785987468 AXNANKYMKSXZQR-CTOFZRSPSA-N 463.965 5.290 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1786102912 FJXZHNVQTQOROA-UHFFFAOYSA-N 455.558 5.858 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(O)c4cc3OC)CCC2)cc1 1786367179 DEXRGARXLVPNBS-UHFFFAOYSA-N 488.584 5.285 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)cc1 1787681861 AYCVEAVVKAFTDW-UHFFFAOYSA-N 471.532 5.086 30 20 JKED CCCc1onc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1788781712 NHUKJGGETQIPJB-UHFFFAOYSA-N 476.964 5.522 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc4nn[nH]c34)CCC2)cc1 1789456281 QUNJKQQUBYVUNO-IBGZPJMESA-N 463.969 5.127 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-n4ccnc4)ccn3)CCC2)cc1 1789508177 UKBBXQPWARFXHR-UHFFFAOYSA-N 499.691 5.066 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)c1 1790076464 ODUZOKVCBNZXKQ-SANMLTNESA-N 465.500 5.060 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CCC1 1790267410 UIAHAJPVMUHQEN-UHFFFAOYSA-N 475.372 5.251 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3N3CCCCC3)CCC2)cc1 1790568443 YMMTTYHBWRZMII-OAQYLSRUSA-N 476.621 5.226 30 20 JKED Cc1cncc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)c1 1790785292 BSSPHUQNYHZQJY-UHFFFAOYSA-N 478.474 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(Cl)c(C)c3)[nH]n1)C2 1798331408 MFZSLCWJQVZNOY-PLACYPQZSA-N 467.013 5.059 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C4CCN(c5ccccc5)CC4)C3)CC2)c1 1805439461 SLGZOGAXIOATOT-DEOSSOPVSA-N 498.671 5.075 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)C(C)(C)Oc3ccc4ccccc4c3)CC2)C1 1806063264 OMXPFRDXZKHSBZ-DEOSSOPVSA-N 482.690 5.183 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)C2)CC1 1807637491 GTYFAENIVSHRJR-SFHVURJKSA-N 488.554 5.153 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1807965769 PMSQHAUSXKHPSY-UGKGYDQZSA-N 480.659 5.149 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1809464015 TZJSUNNVXPFNHG-RCZVLFRGSA-N 478.036 5.241 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1810768704 XTTHAVIRCHWVCN-XLIONFOSSA-N 475.420 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1811161371 QUMSJZSPLWLROO-BXTSTYNKSA-N 480.612 5.232 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCC3)c(F)c2)[C@@H]1c1cccnc1 1811391532 QRDYRBBXXHJULV-OZXSUGGESA-N 492.639 5.133 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1 1811999234 YBAKHWDJIWTWNL-YKSBVNFPSA-N 493.394 5.202 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1812515681 DQKJOIRDMVIBOU-QFQXNSOFSA-N 486.443 5.221 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1812521794 AVMMWWZSZYMETQ-PXDATVDWSA-N 466.025 5.219 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@@H]1c1cccnc1 1812961477 MEBQNGCAQDHPSQ-AFESJLNVSA-N 479.640 5.659 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1814569161 INWYFXNCMPJDBC-JOCHJYFZSA-N 459.525 5.071 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[nH]n1 1814569371 MBMFKBXWAJYIFY-CQSZACIVSA-N 485.869 5.077 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[nH]n1 1814826924 KKCJMHNCVKGADF-VAEXLUAWSA-N 487.648 5.548 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccc(C)cc2)[nH]n1 1814828515 CZWLFJIPMMOOOC-QFIPXVFZSA-N 452.624 5.271 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@@H]3OCCc4ccccc43)n[nH]2)c1 1815134967 ZMESNRZZIYSEKF-PBXQCXKZSA-N 497.599 5.047 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815242797 DOKFLKFFVHQSQK-PGRDOPGGSA-N 487.025 5.583 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1815245885 VTMYXPYFWNUMPQ-DOMZBBRYSA-N 461.440 5.038 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccnc4C(C)(C)C)sc3C2)c1 1815912074 JVABOYBAKYGKSY-APWZRJJASA-N 487.629 5.002 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817742824 NKSYCLGDRVNXMX-DEOSSOPVSA-N 487.604 5.069 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)COc3ccccc3C#N)[nH]n2)s1 1818343607 DJWWUMPIZWOTOT-IBGZPJMESA-N 491.617 5.025 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)n[nH]2)c1 1818930941 FFYIFFXGZLIEBR-NQRVTCLYSA-N 459.594 5.194 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(Br)ccc4s3)n[nH]2)C1 1819075166 QFFWYCHNFSAKHP-GOSISDBHSA-N 499.434 5.659 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)n[nH]2)C1 1820108003 PGRQTIWTQVPQHV-XMMPIXPASA-N 480.572 5.225 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)n[nH]1 1821239911 RJQOCELRVDMYEF-VWLOTQADSA-N 494.599 5.453 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)n[nH]2)C1 1821340016 QEJDFKKCICSULR-HXUWFJFHSA-N 491.419 5.776 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1)C(F)(F)F 1821383659 DKUUBEHYAHUDRH-GOSISDBHSA-N 477.874 5.036 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccc(Br)cc3c2)n[nH]1 1821425791 HCTXQQUSWZCMPA-YCRPNKLZSA-N 496.409 5.239 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccoc3c2)n[nH]1 1821458641 YSHAJVGRSNFBFC-JOCHJYFZSA-N 476.653 5.513 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cc(Br)ccc3c2)n[nH]1 1821479298 CPCDWPNKUJNTCS-BTYIYWSLSA-N 496.409 5.239 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c(F)c1F 1823197489 NPEXXYTXKLDJJE-LJQANCHMSA-N 483.906 5.141 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823213600 YMFZYNMHLNVYQX-GPVLSUBRSA-N 473.602 5.508 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)[nH]n2)c1 1823215271 PMOQNSHATKEBKV-QVKFZJNVSA-N 472.574 5.199 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)c3ccccc3)n[nH]2)c1 1823496423 HOLIWJHXNDSWOO-KHCICDEESA-N 455.562 5.146 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(Br)cc4)CC3)CC2)C1 1823700031 FBKROWYDPDDJMS-QHCPKHFHSA-N 485.466 5.067 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 1823753704 YKXVFZWHEGDCBH-HSZRJFAPSA-N 470.654 5.238 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1824510453 NEEARHASXCLXJY-UWJYYQICSA-N 475.054 5.379 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1824513207 WEMXQRBJQHGYCK-LAUBAEHRSA-N 467.437 5.126 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824637831 OYZDLYMGGFGMHP-BURHJUHKSA-N 492.969 5.044 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c1Cl 1826268925 YOBUEYFGLFYPCE-HSZRJFAPSA-N 456.030 5.415 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828354828 MGFDXLCLQPWNMT-ZZXVIJKLSA-N 460.618 5.834 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828357605 LWFPXPRSYPMRIH-RBFPLYSUSA-N 495.623 6.007 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2cc(C)ccc2C)CC1 1828821917 UTIKZKUQZSRDLD-DQEYMECFSA-N 452.639 5.070 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cccnc23)CC1 1828905302 MPFGSOHNHUXKEK-SANMLTNESA-N 489.736 5.519 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnccc2C)CC1)c1ccccc1 1829030094 JWYYVTKPBXBANC-URLMMPGGSA-N 485.672 5.140 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829867927 LLJYZKZDAFDAEM-QHCPKHFHSA-N 499.797 5.478 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)c1 1830169233 IYMQGZKYGLXRTQ-HOFKKMOUSA-N 483.697 5.382 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 1830299262 ZOVHRNKLGPHFOU-NEUULRRLSA-N 491.717 5.148 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)[nH]c12 1830718436 HHDMXSWHJQBVLH-RUZDIDTESA-N 472.564 5.034 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1831375300 SRBQNAACPWMBEW-YADARESESA-N 474.605 5.268 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc(Br)cnc23)CC1 1831375729 DLQZLXRYTVCPQV-JPYJTQIMSA-N 498.465 5.443 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1831445609 GHRJFSLJPVNUDG-OAQYLSRUSA-N 473.589 5.255 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc43)CC2)c(Cl)c1 1831980923 QCHNAKZQWDEPBQ-ZEQKJWHPSA-N 476.020 5.175 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1 1832558164 RVVNPZVQUWPLLO-LYZGTLIUSA-N 469.629 5.738 30 20 JKED COc1cc(F)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635608 LHWQFDBOLDJTJR-CLOONOSVSA-N 477.580 5.008 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)s1 1832701944 VCUYQZPHZKNTHA-QHCPKHFHSA-N 479.646 5.263 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)CC2)c1Cl 1832981072 SOJKVBSQRQPRSF-CPJSRVTESA-N 475.967 5.191 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC3(CCCN3C(=O)CCCC#C[Si](C)(C)C)C2)c1Cl 1844253919 HKJQEIDMOGONND-UHFFFAOYSA-N 465.497 5.170 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179870 WSQHKILLHVVVHH-UHFFFAOYSA-O 461.607 5.482 30 20 JKED O=C(/C(=C(/S)Nc1cccc2ccccc12)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 11126316 BYNQXPDDFLQHDS-UHFFFAOYSA-O 473.568 6.335 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(CC)cc2)c1C 11153755 CUYQARZBICHFLI-UHFFFAOYSA-O 478.638 5.326 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccccc2F)cc1 11169302 AMAZLIMCXKFIOR-UHFFFAOYSA-O 458.376 5.489 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)cc1 15237466 QMNMXTWXCZUAAH-GOSISDBHSA-N 494.979 5.325 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1OC 16863540 HPIJKLWQPJLNNZ-HNNXBMFYSA-N 487.423 5.330 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1ccccc1)c1ccccc1Br 20860106 DGXCOGRJJXHFAL-UHFFFAOYSA-O 480.329 5.806 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 21643300 MFIZKVFMMKDBDK-FQEVSTJZSA-N 487.654 5.791 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2-c2ccccc2)cc1 22049826 SZGVWJFPFLKMFL-UHFFFAOYSA-N 488.642 5.444 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c(C)c1 24456269 ZCINRFHDHJKQCC-UHFFFAOYSA-N 454.595 6.061 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(OC)c1 25839535 HTHRHRGZOUGUKZ-UHFFFAOYSA-N 466.541 5.610 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1ccco1 29548674 GEMRELDOVFWQBB-FQEVSTJZSA-N 458.587 5.434 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 45438663 UQLNKDROLUVNNJ-UHFFFAOYSA-N 467.900 5.103 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)cc1 60043645 AOKYKKQHPBIDHD-IBGZPJMESA-N 459.552 5.623 30 20 JKED Cc1nc(C)c(C#N)c(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 105633573 YJQHGJBVQUAEDF-VLIAUNLRSA-N 465.966 5.070 30 20 JKED C=CCN(C(=O)[C@H](C)OC[C@@H]1CCCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 109234235 CCRSBRUODFBUOZ-HOCLYGCPSA-N 455.407 5.610 30 20 JKED C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 409831067 LNMDZMACZPTDTB-INIZCTEOSA-N 458.493 5.265 30 20 JKED O=C(Nc1cccc(OCC(F)(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 478288581 PMYOGMNCZQFMDY-UHFFFAOYSA-N 497.317 6.103 30 20 JKED CCOc1ccc(C2(CNC(=O)c3ccc(OCc4ccccc4C#N)cc3)CCOCC2)cc1 508763631 IUIFPSVLZLJUHW-UHFFFAOYSA-N 470.569 5.014 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 509581007 WHHAWJFSDVLARR-UHFFFAOYSA-N 466.891 5.268 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3cccc(Cl)c3)s2)cc1 510242522 ZMPQZDNBEXOHEU-SFHVURJKSA-N 455.996 5.724 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C2CC2)o1 510244799 OLAUIDVOXNPTNF-AUUYWEPGSA-N 465.604 5.615 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 510246332 XFJDJWCIUDJJFB-UHFFFAOYSA-N 491.523 5.214 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)c2)c1 511527762 AOAOJYOVEWWDNS-UHFFFAOYSA-N 469.932 5.535 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nc2ccccc2s1 513656227 ZEADIXQNGJVMJO-INIZCTEOSA-N 452.461 5.868 30 20 JKED CCCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1Cc1ccccc1 515158387 NWOGLIPIOCCGGT-UHFFFAOYSA-N 451.530 5.504 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 515420994 QJERPQZDLJRUDN-HNNXBMFYSA-N 468.340 5.201 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516081839 LLJMOFQGBBUHGA-JOCHJYFZSA-N 461.924 5.288 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SCc4ccccc4)cc3)n2)cc1 516713903 MOFGEZYHIVAMRA-HSZRJFAPSA-N 451.576 6.464 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)n1 516790507 QKMGNRLUCSPLCR-INIZCTEOSA-N 491.421 6.409 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 517781369 YIQRWRFNOPBINU-UHFFFAOYSA-N 466.629 5.941 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 518256245 ROYVMGIQDCDYJH-MRXNPFEDSA-N 476.524 5.090 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc2)c1 518752913 CXZJOZWCFUWXCA-UHFFFAOYSA-N 472.520 5.050 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCc2cccc(C(F)(F)F)c2)cc1Cl 518872893 GBNGNXQPYXBGHD-QFIPXVFZSA-N 499.920 5.702 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 519055616 OEGINRPHBLEYBQ-UHFFFAOYSA-N 496.611 6.172 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 520559780 NYHRUBBOEKCDQG-HSZRJFAPSA-N 479.989 5.494 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)nc2ccccc21 520659524 DKXLKFKXHMNUDF-FQEVSTJZSA-N 460.493 5.050 30 20 JKED N#Cc1ccc(Oc2cccc(NCC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)c2)cc1 521527475 XJYQMLUIQPLCAP-UHFFFAOYSA-N 478.434 5.001 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Br)o1 521797723 TWGHATRDFXBXJW-HNNXBMFYSA-N 470.392 6.070 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521842153 MMBSYKBLYZMCFI-SFHVURJKSA-N 467.491 6.575 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(OCc2ccccn2)c1 523522520 PKUSOSVDPOOWQB-QFIPXVFZSA-N 494.570 6.144 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 524421429 UCDVTMYTIQGEEH-UHFFFAOYSA-N 476.920 5.486 30 20 JKED N#CCc1ccc(OC[C@@H](O)CNC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 567457326 HZCJTZOKPGGBEE-GBXCKJPGSA-N 459.977 5.049 30 20 JKED Cc1ccc2c(Cl)c(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)sc2c1 591020039 CFENBSYXFKQVGW-ZDUSSCGKSA-N 453.976 5.942 30 20 JKED C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cc(OC)c(OC)c(OC)c2)CC3)CC1 595460257 VCNLDEPNMPLCOF-HMMYKYKNSA-N 470.569 5.540 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 597492046 TXIFOQRZHFZEJL-OAHLLOKOSA-N 487.969 5.032 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(OCc2cccnc2)cc1 603689362 IUPIXYJXJWNUIU-IBGZPJMESA-N 465.513 5.602 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3SCc3ccco3)c2)cc1 603814621 QOPQAUJVOJDYAK-UHFFFAOYSA-N 454.551 6.469 30 20 JKED N#Cc1c(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)sc2c1-c1ccccc1CC2 603991535 BHNMKDSKWDTSBI-UHFFFAOYSA-N 461.493 5.890 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(C)C)cc1 604137923 CHZIWRSMIZZBLD-UKILVPOCSA-N 475.976 5.456 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccnc(Oc3ccccc3)c2)c1 604236561 PSSOYERMHXEDCD-UHFFFAOYSA-N 494.576 5.406 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 604523489 YJJFGWUJJOQFMA-CYBMUJFWSA-N 474.445 5.837 30 20 JKED COc1cccc(N2CC[C@@H](CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)c1 608826293 RIJZSVYOWLBUHG-QFIPXVFZSA-N 457.599 5.115 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 609078840 QRIURHXXFBZUCC-MHZLTWQESA-N 469.541 5.490 30 20 JKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1Cc1ccccc1 609104984 RUQUXKGLFOITFM-UHFFFAOYSA-N 454.505 5.336 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1 609153476 MTGKUFOYOICESW-UHFFFAOYSA-N 459.575 5.700 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccoc1C 609371075 XNQYPTGKFQCJPO-HNNXBMFYSA-N 453.593 5.015 30 20 JKED O=C(NCCc1ccc(OC(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612662948 OAJBUQQBCJHKKC-VXGBXAGGSA-N 466.344 5.336 30 20 JKED CN(Cc1ccccc1OC(F)(F)F)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804569 QPECNSSNSNMIGK-VXGBXAGGSA-N 466.344 5.636 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)nn2-c2ccccc2)cc1 613403249 DRHHTFXSJHEKJD-HXUWFJFHSA-N 483.478 5.783 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 613403830 JSPWOSBRTDDCSG-OAHLLOKOSA-N 468.460 5.683 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc2cc(C(F)(F)F)ccc2s1 613405293 XDFNERUADDJXCC-GOSISDBHSA-N 471.504 6.324 30 20 JKED O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618464267 GGYSUGFSSFBXCQ-DTORHVGOSA-N 463.749 5.110 30 20 JKED Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CC[C@](F)(c3cccc(C(F)(F)F)c3)C1)CC2 622584567 FNFIRBOBEAWRLU-RNODOKPDSA-N 475.408 5.025 30 20 JKED C=CCn1c(S[C@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)nnc1-c1ccccc1OC 639430007 VYGHYLJJHUQJQV-JPYJTQIMSA-N 462.619 5.234 30 20 JKED C=CCN(C(=O)c1nc2nccc(C)n2n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 641891460 MTXYXZCZMZZCFJ-UHFFFAOYSA-N 452.543 5.056 30 20 JKED O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 642693449 BHTNOMOXXLASPE-UHFFFAOYSA-N 465.340 5.738 30 20 JKED CC[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F 642911878 CXXYNKZGLOIUQO-OWTLIXCDSA-N 462.381 5.948 30 20 JKED O=C(NCc1cc(Br)ccc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642955016 ZRDQVJRSLZYBAB-IAZYJMLFSA-N 465.207 5.297 30 20 JKED C=CCn1c(SCc2nc(COc3ccc(F)cc3)no2)nnc1-c1ccc(Cl)cc1 643429942 CYUCCPYYLDXIEP-UHFFFAOYSA-N 457.918 5.178 30 20 JKED CC(C)(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)S(=O)(=O)c1ccc(Br)cc1 726142474 PTRWBJUJVOBFEY-JOCHJYFZSA-N 497.414 5.296 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CC[C@@H](C)OC)C1=O 726394209 SWROOKQCDDNQBH-IIBYNOLFSA-N 490.025 5.042 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@H](C)c2cccs2)cc1 726420941 KFOMWWUVYUDHTC-CBECUCKHSA-N 493.654 5.485 30 20 JKED CCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(CC(C)C)cc2)cc1 726569755 KLIIQXQNZIAFOF-UHFFFAOYSA-O 460.623 5.242 30 20 JKED CC(=NNc1ncnc2c1c(Br)nn2C)c1ccc2c(c1)Nc1ccccc1S2 726739172 UBKDWFWZBRNVDD-UHFFFAOYSA-N 466.368 5.170 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)nc1 726888205 BBYQISDEQJWNSS-MRXNPFEDSA-N 481.405 5.157 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNc2ccc(Br)cn2)c1 727266023 GFMCQSDQABEXDE-UHFFFAOYSA-N 478.350 5.160 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3sc(N4CCCC4)nc3Cl)cc2Cl)c1 728081757 ANYVUFLWZILPBZ-UHFFFAOYSA-N 473.385 5.753 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cs1)c1cccc(C)c1C 728333508 YNRFQYVAKAGUNN-XMMPIXPASA-N 477.586 5.463 30 20 JKED C#Cc1cccc(N(C)C(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 728482749 GZYBKMRKDFIACQ-UHFFFAOYSA-N 458.627 5.122 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 728738405 LOLYGKJRUHAUEE-HSZRJFAPSA-N 492.620 5.557 30 20 JKED CN(C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1)C(=O)OC(C)(C)C 729571318 UEDGTACKQBMIRH-FQEVSTJZSA-N 464.566 5.461 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ncccc2C)C1=O 729634925 XBMYXTXTSXLEKL-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)n1 729895912 QZRDBEPKCBUPRO-JTQLQIEISA-N 469.769 5.440 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)c(Cl)cc3OC)C(=O)N2C2CCC2)c1 730458556 ALQYZUKVEQYWPX-OAQYLSRUSA-N 488.009 5.178 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(C2CCC2)C1=O 730460011 RSLZAIBXIIFXDE-QFIPXVFZSA-N 451.592 5.297 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1ccc(SC(F)F)cc1 730488344 KVZBROMIPPZQOK-IBGZPJMESA-N 487.553 5.755 30 20 JKED CCOC(=O)CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 730536070 LJIXYQCAFMXWFS-QFIPXVFZSA-N 499.608 5.055 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1cccnc1 730943523 FCXDMIJYEZUIBT-GAJHUEQPSA-N 476.577 5.505 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](OCCC)CC2)c1 730987611 AXSUCVFUPUPYCE-NRFANRHFSA-N 491.053 5.143 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccnc1Nc1ccccc1F 731064675 UGEDYONHFMLCQQ-MRXNPFEDSA-N 464.522 5.154 30 20 JKED COc1ccc2cc(/C=C\C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2c1 731069295 IURCFDDBNXZEIF-XSZJWBAASA-N 460.555 5.295 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccs1 731310224 CQXRMWUPIZKRSI-HXUWFJFHSA-N 486.018 5.576 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)s1 731311814 FKCPIXQGNBRIGJ-ZHRRBRCNSA-N 490.610 5.355 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3ccccn3)C2=O)cc1 837300320 GCMBMQIIBLJUPY-HJPURHCSSA-N 490.560 5.145 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 837870645 VPMPEJPVYPMJKW-AOMKIAJQSA-N 480.540 5.390 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 837918941 WBWDUUKELBSXMZ-SBUREZEXSA-N 476.577 5.505 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NCc2ccc(Cl)c3cccnc23)cc1 864000828 FSCWEZIAZTUWCK-QYQHSDTDSA-N 456.999 5.093 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc(Cl)cc2)cc1 912822317 DQZKLBUOUVZYBB-UHFFFAOYSA-O 495.068 6.625 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@@H](c2ccccc2)C2CC2)C1=O 914553518 CONXHFSRDDHGSE-QUCCMNQESA-N 462.402 5.212 30 20 JKED CCOc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)cc1 915354285 ZCFCVXFWSPDBAS-HHHXNRCGSA-N 482.584 5.167 30 20 JKED CC(C)c1ccccc1-n1c(-c2cccnc2)nn(CN(CCC#N)Cc2cccnc2)c1=S 915795755 LKYVIWGOFMRASE-UHFFFAOYSA-N 469.618 5.357 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=S)Nc2cc(C)ccc2C)cs1 915911738 CCZRVVHSBKZPEY-UHFFFAOYSA-N 491.564 5.784 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccccc2)C1=O)Nc1ccccc1F 916212836 ZQCQXRBDVUFJBC-NRFANRHFSA-N 499.514 5.588 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 916898984 HLJQGEQPQIPFNN-KRWDZBQOSA-N 496.011 5.550 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 916908943 GPBGTMBETRJXSG-NRFANRHFSA-N 460.534 5.117 30 20 JKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c2C)cc1 916911846 YAPRDJHWNOQIOZ-JOCHJYFZSA-N 450.498 5.243 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(Cl)c1OCCC(C)C 916927472 KQRRXMJIZGOFSC-HNNXBMFYSA-N 483.779 6.041 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916945262 UIPAZFVTGJMWFZ-FCHUYYIVSA-N 479.319 5.409 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 916976450 OLMPIBXASDPZEM-KRWDZBQOSA-N 482.974 5.493 30 20 JKED Cc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1F 916976554 SHMQAVXXCJVECL-CRAIPNDOSA-N 453.926 5.140 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1 916995808 IPMHRJJJCXGWQG-GOSISDBHSA-N 461.370 5.943 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042828 HGBWJVQIZATMCU-BXKDBHETSA-N 486.302 5.617 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047262 VAGXWWCAHXIZGW-QMTHXVAHSA-N 451.798 6.069 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)C(=O)Nc1ccc(Cl)cc1 917425225 UYQFRIOGNUNNSN-CQSZACIVSA-N 480.796 5.178 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1 918036837 DVYIWRITCNBIEH-JOCHJYFZSA-N 456.937 5.206 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)CC1 918043953 CYBKLYOIVDETOY-UHFFFAOYSA-N 482.371 5.752 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCCOc1ccccc1C#N 918900010 QEHVKCSOBPBJAR-MRXNPFEDSA-N 491.594 5.179 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)cc1 919509542 BHRFWIGTSSDJDT-HXUWFJFHSA-N 458.583 5.569 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 919666978 PNFFOKYLFHUVTG-IBGZPJMESA-N 465.962 5.324 30 20 JKED C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 919768609 FJSMEPONLZWKFU-LBPRGKRZSA-N 476.348 5.355 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920108152 AWLVUQQBEZFESJ-IERDGZPVSA-N 496.032 6.089 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920109822 JMUXKBFOSCRITF-ZDUSSCGKSA-N 468.127 5.447 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)n2)cc1 920143911 LIZFCYLMNNQLLG-IFXJQAMLSA-N 486.380 5.355 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2C)no1 920353329 HFXRSZRGIKEUPJ-FQEVSTJZSA-N 468.966 5.105 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)/C=C/c2ccccc2C#N)cs1 920517445 BXJGJSSFRYGFEA-IZZDOVSWSA-N 471.460 5.475 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1OC 920871682 XIGUIEKJGHEWGI-MHECFPHRSA-N 491.613 5.091 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)c(C)c1Cl)C2 1779275328 FUNQMBGELQPLGH-IOZGHAEBSA-N 479.448 5.198 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C2)C1 1780206159 DCNIDHWGIWDKRZ-PMERELPUSA-N 487.644 5.250 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1781739910 LLUKLDJLKRRCNM-ZNOAHEKZSA-N 497.639 5.242 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)C[C@@H]21 1783541335 VPOYSCWBBQESDF-AGJHTDJMSA-N 499.655 5.192 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)cc2)CCC1 1786589455 IFYVJSGVCLURJS-TXTKFYIRSA-N 483.653 5.226 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CCC1 1786914750 DDTWUTCNVPFOTO-POICXBNUSA-N 493.604 5.286 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnn(C)c4C(F)(F)F)cc3)CCC2)c1 1787020851 UVMAGURVVQCIJZ-INIZCTEOSA-N 495.505 5.127 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)CSc4ccccc4)cc3)CCC2)c(C#N)c1 1787774800 KUHOXLGBMRCTEZ-UHFFFAOYSA-N 485.609 5.036 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)cc2)CCC1 1789229943 HFUJZYWVZPLXMC-INIZCTEOSA-N 485.506 5.526 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454127 QXMCFADBFCXVAQ-WXVAWEFUSA-N 499.627 5.238 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789513405 ZUROQLKKKAYYMG-QHCPKHFHSA-N 481.637 5.104 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)[nH]3)cc2)CCC1 1789675178 XDGXLGIQVJWRQW-UHFFFAOYSA-N 489.614 5.832 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cc(Cl)ccc45)CCC3)cc2)c1 1790144683 ADXUWYXTNVAPNE-UHFFFAOYSA-N 457.921 5.083 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)c(C#N)c1 1790474828 FIWUBQJQOHIKIT-URVUXULASA-N 471.601 5.070 30 20 JKED O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3ccc(OCC(F)(F)F)c(F)c3)cc2)CCC1 1790586958 HSZUNRJYOQWQEY-UHFFFAOYSA-N 492.391 5.467 30 20 JKED COc1cc(C)ccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790708118 RGQVIGVAQPBFPQ-UHFFFAOYSA-N 453.542 5.131 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5ncccc5c4)CCC3)cc2)c1 1790761871 JZWNTCVKGCYCLJ-UHFFFAOYSA-N 478.527 5.236 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)[C@H]5C[C@@H]5c5ccc(F)cc5)CCC4)cc3)c2c1 1790834683 RQUCDFCVYFJTNR-PKTZIBPZSA-N 493.542 5.125 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791445716 WVJMULYPIVVAHR-OHIRSEEMSA-N 493.648 5.288 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H](C)n3cccc3)cc2)CCC1)NC(=O)OC(C)(C)C 1791792321 YOQGFILRMOJUCS-OFNKIYASSA-N 494.636 5.043 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)CCC2)cc1 1792267080 KKSUGOOGZYZZQI-QHCPKHFHSA-N 481.637 5.008 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)cc1 1792482903 VLJJMUQGCSLFSF-BKFWDETESA-N 492.579 5.184 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)c(F)cc2nc1Cl 1799205500 ARKMSIQVWSTSQI-XMTFNYHQSA-N 473.951 5.187 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc(C#N)c1)C2 1799879433 SUUXEUPQQGMVDK-LGKQTMLJSA-N 495.623 5.140 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccccc2)[C@H]1c1cccnc1 1802491010 FKWXGQZICRVUER-SFLYRZDNSA-N 465.663 5.261 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1802499015 FJBUWIUOONCCMB-NTKDMRAZSA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1802502403 CAJPXACXNXGTFN-NBGIEHNGSA-N 491.035 5.595 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1802502676 GFANPWGAYPSQQK-XUZZJYLKSA-N 459.590 5.448 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1804209346 JDDWVFWTANYKOA-HOFKKMOUSA-N 496.051 5.368 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1804211850 IYEHSNSLGLAQHY-GJZUVCINSA-N 498.067 5.592 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)C1 1805457592 IJCKDORDUBHREO-UHFFFAOYSA-N 466.519 5.458 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cccc(Cc4ccc(F)cc4)c3)CC2)C1 1806678484 DJANNGYPWABJDJ-UHFFFAOYSA-N 480.649 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccoc2C(F)(F)F)[C@@H]1c1cccnc1 1808575521 RIFBMOPZEGDESP-MJGOQNOKSA-N 463.500 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3nc4ccc(C)cc4s3)C2)CC1 1808827560 WORDHWGQMFPFPH-UHFFFAOYSA-N 453.652 5.442 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809212086 JHNJBIACYQMKGO-NRJQMVOHSA-N 499.036 5.070 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1810271837 IZRCWDFGYVURDT-DENIHFKCSA-N 488.129 5.167 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1810499686 HCELYRULZMRKFK-RSXGOPAZSA-N 470.617 5.250 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)no2)[C@@H]1c1cccnc1 1810858892 XHUOHWVOSWPBBV-DHLKQENFSA-N 472.589 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2F)[C@@H]1c1cccnc1 1811401550 GFHVBLWVWPNIQW-YKSBVNFPSA-N 462.569 5.014 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811749094 LNHMVQGGIUPNCC-SNYIIPAISA-N 467.013 5.143 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1813062502 YJCVDCAQBCPLKK-OFVILXPXSA-N 466.025 5.219 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813869009 WJDHWPJQPDPGMJ-GJDOKZOISA-N 494.639 5.541 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1814261658 RWPFTRDEQIOSSE-JRVJPUFPSA-N 482.628 5.359 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1814440475 SGVROPFPGCNROV-NOZRDPDXSA-N 491.680 5.306 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819384880 DQZUCAMIPHPJEB-BIHRDVDLSA-N 480.685 5.458 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c4ccccc4n4ccsc34)n[nH]2)c1 1820099609 VPKZOHFCYLPBJS-QFIPXVFZSA-N 494.580 5.368 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CCCC3)[nH]n2)c1 1820309577 AMUFCPNTLJTHQZ-QFIPXVFZSA-N 490.995 5.081 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCC3)n[nH]2)ccc1Br 1820903895 PGMCPTNICPQZCI-MAIVGLDJSA-N 496.409 5.096 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)CC1 1820978026 DLYYERQDGGFZKC-QFIPXVFZSA-N 465.573 5.333 30 20 JKED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4occc4n3-c3ccccc3)sc2C1 1821171789 MNZCMLKRSNYFRS-HNNXBMFYSA-N 496.539 5.117 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)COc3cccc4ccccc34)[nH]n2)c1 1821321329 FIUNEXDRHBUXDR-VWLOTQADSA-N 493.567 5.128 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)n[nH]1 1821591988 JGVYMWJTFSAQAF-FQEVSTJZSA-N 487.585 5.009 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]n1 1821925246 OQPIBAACFOPWOF-UUOWRZLLSA-N 482.588 5.471 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)c1Cl 1822020067 MRINYBBRRQZWJT-JQZBISMTSA-N 465.985 5.067 30 20 JKED C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1ccccc1 1822043806 ACZZAAGHPRXTFX-VGSWGCGISA-N 475.980 5.434 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 1822281657 IVPHGGAACDBCLN-QRWLVFNGSA-N 491.419 5.032 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CCC3)n[nH]2)c1 1822315463 ROVSKHBSVGKBDW-VWLOTQADSA-N 481.600 5.028 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1822581332 KMMDBTNROIIATK-QFIPXVFZSA-N 483.572 5.446 30 20 JKED Cc1cccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1823124511 OBZQDTPHYDPLLR-FQEVSTJZSA-N 465.916 5.002 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(C)c1 1823214246 BKHWHIROLSSMTA-HFZDXXHNSA-N 498.631 5.462 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823310110 YOMXKVHSABHWCD-GOSISDBHSA-N 466.891 5.191 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnccc2C(F)(F)F)CC1 1824139077 FBSUDLUZJZDAGQ-DEOSSOPVSA-N 491.598 5.421 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](c3ccccc3)C(C)C)CC2)c1 1824242527 VPDJZFTYONIZID-IZLXSDGUSA-N 487.644 5.240 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 1824502143 WHGZTLVXFZJJGH-QFIPXVFZSA-N 472.626 5.257 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1824533775 KOKRBWIMKAPUAS-WTOYTKOKSA-N 451.076 5.018 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C(C)(F)F)CC1)c1ccc(O)cc1 1824633291 FHFBRUCUTORZSY-UPVQGACJSA-N 488.619 5.190 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(C)cc2Br)CC1 1824961167 JKXRJBQQDLCZOD-OAQYLSRUSA-N 497.474 5.049 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825423888 BQZQHVBTSDLXDE-HFZDXXHNSA-N 478.637 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(F)(F)F)CC1 1825890779 OZGVQMNIZZSIGQ-KNQAVFIVSA-N 463.544 5.102 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330965 KSZALEAWJYNYPF-MHZLTWQESA-N 457.618 5.094 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(C(C)(C)C)nc2)CC3)c1 1827690356 CZOXBIGODQPFMG-UZLBHIALSA-N 487.629 5.002 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2ccncc2)CC1)c1ccccc1 1829034833 FJBKBTOGAVSVPE-RVVSJWLRSA-N 485.672 5.077 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)c(F)cc4nc3Cl)CC2)C1 1829631913 KEBPXMAAJLAVJW-HSZRJFAPSA-N 487.978 5.366 30 20 JKED CCSc1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685486 HWOXPQGMIGSECV-JOCHJYFZSA-N 497.064 5.266 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c1 1830025707 SNGZIYJFFDQAKK-RUZDIDTESA-N 464.009 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc(OC)c2OC)CC1 1830649108 LZPQNFPRUCULMT-NRFANRHFSA-N 474.617 5.069 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccco3)CC2)cc(C(F)(F)F)c1 1830755479 ZDUCARYJYQXJCA-BMOUEYTDSA-N 485.506 5.117 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831448936 SGIWIKCIHMOULX-LJQANCHMSA-N 498.496 5.026 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1)C(F)(F)F 1831450820 GGRPYQAALHCCAO-QHCPKHFHSA-N 485.550 5.409 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2Cl)CC1)C(F)(F)F 1831452048 SGOCPEDRJBDUKW-FQEVSTJZSA-N 456.936 5.011 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1832030069 FYVWKWBUSVVBTL-NRFANRHFSA-N 467.412 5.559 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1832092275 NMKTYDSQWOFTLP-DNQXCXABSA-N 491.598 5.421 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1832628876 FQHIADQQHSCGNL-BXPXLQMZSA-N 491.582 5.539 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C)cc3C)CC2)CC1)c1ccccc1 1838416648 GBIXLTNVQAAJGU-GDLZYMKVSA-N 486.656 5.113 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)C2 1844253585 YIRCBADGAKSGII-UHFFFAOYSA-N 485.022 5.227 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC4(CCCN4C(=O)[C@H](C)ON=C(C)C)C3)cc2)cc1 1845254623 BXBYIHHPWNSESV-QFIPXVFZSA-N 475.633 5.314 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)C1 1845558439 VSVCLNNHQDYIDD-OAQYLSRUSA-N 481.637 5.236 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(CC)cc2)c1C 10167625 XBFFUQHBXPEKOE-UHFFFAOYSA-O 464.611 5.017 30 20 JKED C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 10929079 BTGAEADDUBQQPB-LJQANCHMSA-N 487.398 5.145 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(N(C)C)cc2)c1 11159337 CWAHUEHFGDNCEY-UHFFFAOYSA-O 473.449 6.015 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)c(C#N)c1C 14596610 XEHVDYBGTPPLJE-UHFFFAOYSA-N 450.944 5.054 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1cccc(C)c1 14871861 ZOAOOLMAUXHVLR-UHFFFAOYSA-O 454.413 5.658 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 16246830 UPMDMAKDQUSRLO-NSHDSACASA-N 468.797 5.606 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)NCc2ccc(OC)cc2)cc1 22692710 DHRBSOHBGFEPCJ-UHFFFAOYSA-O 484.439 5.036 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc(C(CC)CC)cc1 22796707 TXMJTNYBATWGFA-UHFFFAOYSA-O 460.461 5.745 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nc2sc3c(c2c1=O)CCC3 23405315 ZIALPLIJSYDXAH-AWEZNQCLSA-N 474.051 5.522 30 20 JKED C=CCn1c(SCC(=O)Nc2sccc2C#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28626711 XJIFSKUGHVDDCO-UHFFFAOYSA-N 496.614 5.423 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 32288581 BJEVSHBVXKJTBH-UHFFFAOYSA-N 483.597 5.374 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)COc1c(Br)cc(C#N)cc1OCC 33158160 KSVIVFBTHPQNQR-UHFFFAOYSA-N 469.788 5.028 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1 108626032 FQJYNKMTLDGTHI-UHFFFAOYSA-N 462.575 5.269 30 20 JKED C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)c1 108868503 SFOYUEHHPOIKEJ-UHFFFAOYSA-N 460.914 5.097 30 20 JKED C=CCOc1c(Br)cc(CNCc2csc(-c3ccccc3)n2)cc1OCC 195719189 KSMKPTNSEVGZBG-UHFFFAOYSA-N 459.409 5.826 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2n[nH]c(/C=C\c3ccccc3)n2)n(Cc2ccccc2)c1C 207213192 YUDQWSRZAJUOPL-YPKPFQOOSA-N 468.586 5.044 30 20 JKED C=CCOc1c(Br)cc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cc1OC 489286723 KJKJSTIVHQUMID-QHCPKHFHSA-N 480.362 5.184 30 20 JKED C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(OC(F)F)cc1 497514067 CPRZQINRUXCXIS-LLVKDONJSA-N 493.354 6.002 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 503338965 HSWBJIJZHHOEKM-HSZRJFAPSA-N 488.931 5.156 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)C2)cc1 505918369 GPMDRDAJUYVIGC-RUZDIDTESA-N 469.560 5.400 30 20 JKED Cc1ccc(OCc2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)o2)c(C)c1 506235411 VCSNHVDJQXAQCL-UHFFFAOYSA-N 476.583 5.743 30 20 JKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 509278759 ITRIABZYIWFVIC-HXUWFJFHSA-N 453.542 5.404 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 512034791 JLBGSTQWJGZJIB-VQTJNVASSA-N 456.615 5.566 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 514012085 XLTHHXFTKVINFW-UHFFFAOYSA-N 491.010 5.727 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515674625 VCRXXKJYZKAVRZ-UHFFFAOYSA-N 452.539 5.419 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 515952467 KKWVKPPINMTZOC-LJQANCHMSA-N 484.371 5.708 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 517527955 NIZWGQYVLHNZBI-CJAUYULYSA-N 469.566 5.671 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 518129913 FGBTVRAAEPSRTP-MRXNPFEDSA-N 476.652 6.341 30 20 JKED Cc1cccc(N2CCN(CCCCNC(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c1 518172577 ORQUMNUGTINQEW-UHFFFAOYSA-N 498.696 5.491 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(C)c2)n1 518723462 BJXKGAYOKAPCRR-UHFFFAOYSA-N 491.642 5.665 30 20 JKED C[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccccc4S[C@H](C)CC#N)nc(O)c23)C1 518743150 OOPXCWLANZYAME-HUUCEWRRSA-N 466.632 5.487 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 519186723 OYCLVSCHXVKOAB-RUZDIDTESA-N 470.960 5.942 30 20 JKED CSc1nc(O)c(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)cc1C#N 519948458 BDISCIFNZROLMY-UHFFFAOYSA-N 463.412 5.583 30 20 JKED COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 521748913 IGPIDFKFZLUDJF-UHFFFAOYSA-N 498.004 5.072 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1)c1ccccc1 521810544 UCGSOMDVUPERHN-MHZLTWQESA-N 482.584 5.657 30 20 JKED C[C@@H](Sc1ncccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)N1CCCC1 522474159 HLZHZJOPURKZBA-ZBFHGGJFSA-N 498.580 5.076 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(OC3CCCCC3)nc2)cc1C 522921560 SLINTCOJKAJGOY-UHFFFAOYSA-N 457.578 5.117 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccnc1Oc1cccc(F)c1 524439552 ZOCZXURAQPZZQK-UHFFFAOYSA-N 482.515 6.094 30 20 JKED C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 608803801 AFOHJEGTAXUKQN-LJQANCHMSA-N 453.498 5.195 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)cn2)cc1 608840401 ANEPLNOISGBMDU-LJQANCHMSA-N 484.491 5.346 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(Cc3c(F)cccc3Cl)o2)c1 608929523 DENZJEHWAOZGMC-MRXNPFEDSA-N 472.973 5.497 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccc(Oc4ccc(Br)cc4)c(F)c3)CC2)nc1 608950781 XYVAWLWCUOHJAU-UHFFFAOYSA-N 495.352 5.046 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609059530 PWAPMICKGWGJMQ-LJQANCHMSA-N 457.530 5.306 30 20 JKED N#C[C@H](C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347368 ZHDWTDYUNNYZOP-GOSISDBHSA-N 470.381 5.729 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc4nc(C(F)(F)F)ccc4c3C)n2)cc1 614385367 BJBJRXBHHXITMV-HNNXBMFYSA-N 457.502 6.546 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(=Cc2cccc(F)c2)CC1 615683178 PXJBAFGLAVWGNY-HZPDHXFCSA-N 452.414 5.924 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)n2)cc1 619756470 UVPVMELQJKAILB-QGZVFWFLSA-N 451.935 5.089 30 20 JKED O=C(NCc1cccc(OCC(F)(F)F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642769745 ZDDOSVBPWZQQMQ-RYUDHWBXSA-N 466.344 5.336 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)nc2scc(-c3ccccc3)c2c1=O 670177821 QQFNNOPBRYMNPI-MRXNPFEDSA-N 489.622 5.633 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1c(C)cccc1C 726393921 RUDHDZLGXXGOOR-RBBKRZOGSA-N 467.635 5.306 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2CC(C)C)c1 726412517 RNIUCHLYIQVEJS-FQEVSTJZSA-N 484.419 5.047 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3cscn3)C2=O)c1 726421717 OZNFZIUSLIUBKV-LUOIHOMFSA-N 484.672 5.411 30 20 JKED CCc1cccc[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1ccc(Cl)c(Cl)c1 726571162 FSXIQBZTBLYGMG-UHFFFAOYSA-O 473.405 5.350 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 726755993 RWCLRGIRVJRVGL-UHFFFAOYSA-N 499.368 5.450 30 20 JKED N#CCOc1cccc(/C=C2/CC(c3ccccc3)C/C(=C/c3cccc(OCC#N)c3)C2=O)c1 727744195 CWMHPROAXZHURY-OTMNIUQESA-N 460.533 6.105 30 20 JKED N#Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)ccc1F 728192755 QLUQLUBTHOLBEM-UHFFFAOYSA-N 464.305 5.057 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1c(C)noc1C 730441584 IEJQBLZALOCSHN-QFIPXVFZSA-N 476.602 5.111 30 20 JKED CCCOc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cn1 730713342 NONXCMQMAIWFKI-QFIPXVFZSA-N 492.576 5.170 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@@H](C)c1cccnc1 730944458 BBGYMXHPINFBQR-MBSDFSHPSA-N 474.586 5.120 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1c(C)cc(C)cc1Cl 731310037 ZJYJVWZWHTVTNM-OXJNMPFZSA-N 490.025 5.048 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cccs2)cc1 731405921 RUAMGSBNIQHQHV-KBMIEXCESA-N 491.682 6.185 30 20 JKED N#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1)C1CC1 743886910 JATPQFJOYVWXQW-UHFFFAOYSA-N 497.979 5.003 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccccc1SCc1ccccc1 745296096 DIUYYAXWKQAGJS-UHFFFAOYSA-N 461.543 5.040 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1CCOC(C)(C)C 746697840 NFSJNPWNQWNNAJ-JOCHJYFZSA-N 483.634 5.033 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 746698176 WORMJCVRAWQGMZ-IBGZPJMESA-N 459.999 5.115 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CNC(C)(C)c2ccc(Cl)c(Cl)c2)c1=S 747789714 OZKMEMFYEYWMLC-UHFFFAOYSA-N 468.498 5.418 30 20 JKED N#C[C@H](Cc1ccccc1)OC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 750058946 SGTZFRAOOLFIRE-KRWDZBQOSA-N 475.353 5.086 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cnc2c(c1)c(C)nn2C)C(=O)c1ccccc1 750904594 XXWHTZLWOPNCKI-LFVJCYFKSA-N 452.558 5.307 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1-c1ccccc1 750912335 VPSYKVABIVFVIB-DEOSSOPVSA-N 491.588 5.490 30 20 JKED CCOC(=O)c1c(NC(=O)/C=C\c2ccccc2C#N)sc(C(=O)Nc2ccccc2)c1C 799765017 AQSDYZPRKJJDOO-YPKPFQOOSA-N 459.527 5.009 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 837301210 PWKSKFPMEIIARY-VFNWGFHPSA-N 482.968 5.596 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 837521666 AANGFEWIWGENKE-KKSFZXQISA-N 498.530 5.822 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 837784793 VPHVDQFYNHTFHK-HRAATJIYSA-N 464.978 5.457 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCN(C(C)C)CC2)cc1 837876151 LQEXKCAJRMDKPG-RUZDIDTESA-N 492.689 5.445 30 20 JKED C=CCOc1c(Br)cc(CNc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1OC 864003350 JNJOPBCYEJVKJY-UHFFFAOYSA-N 481.818 5.768 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3sccc3Br)no2)nnc1-c1ccco1 904892334 SWQOLARPMNAATE-UHFFFAOYSA-N 464.370 5.281 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 914516774 DICRNJRIFVJCSS-FYJGNVAPSA-N 483.684 5.286 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915086748 MMFUXOXMRSXQCG-DQCZWYHMSA-N 481.596 5.763 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1nc(-c2ccccc2)cs1 915101406 ATSFZJKHJZABPY-PKOBYXMFSA-N 481.524 5.140 30 20 JKED CC(C)[C@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104086 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BCWVCGDJDOTHEA-FQEVSTJZSA-N 455.539 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/Sc1ccc(C)cc1)C2 1779511499 JLKQCAUHQBIVHV-YOUKMRLMSA-N 470.679 5.107 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCCc3cc(OC)ccc3OC)CCC2)cc1 1786366633 JKKDODCSXWCSBA-UHFFFAOYSA-N 494.632 5.143 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1786678118 CTZYOOGTXFVUQV-UHFFFAOYSA-N 472.035 5.617 30 20 JKED Cc1nc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)cs1 1786861970 YWVKTCGAACTJHQ-UHFFFAOYSA-N 498.530 5.332 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccsc4)cc3)CCC2)c(C(F)(F)F)n1 1787284425 ROAIZLQNDIBEGB-UHFFFAOYSA-N 470.476 5.095 30 20 JKED COc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1C 1787579056 ZKLGUWPSOZTCMB-LJQANCHMSA-N 468.557 5.087 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)[nH]3)CCC2)cc1 1788650435 AESIVTUCEOFGDI-PKNBQFBNSA-N 487.503 5.282 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788735318 XWGGDVYJCLJWAY-UHFFFAOYSA-N 457.599 5.416 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5[nH]4)cc3)CCC2)c1 1788918333 DTQXXVVNNYWOAV-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)cc2)CCC1 1789191200 GGNYHNVWAKEOMO-NKKJXINNSA-N 466.622 5.236 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)cc2)CCC1)C(F)(F)F 1789531327 UFUCCMJCBCMLAW-HSALFYBXSA-N 458.505 5.127 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3Cl)CCC2)cc1 1790566147 SFFQAKJHTIDPHU-OAHLLOKOSA-N 462.377 5.542 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)cc2)CCC1 1791199036 VZSPXHKSOBDUEJ-UHFFFAOYSA-N 499.076 5.442 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(Cl)n3)CCC2)cc1 1792240194 ONKLFFRDFUQBND-UHFFFAOYSA-N 495.366 5.087 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)cc1 1792375043 MYNGYOYRDFUJNX-MHZLTWQESA-N 463.528 5.371 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc(C#N)c1)c1ccc(Cl)cc1 1792940367 GGFUHMIQRQXABH-SPGPFUFCSA-N 478.036 5.222 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2n1 1798197476 XWAHDDVDKVCBOX-REPLKXPHSA-N 482.422 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1798334089 XARXGDSCFDEVGJ-CIAFKFPVSA-N 452.982 5.620 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2nc(-c3ccccc3)ccc12 1799101240 JLTFZKMWCOWBRI-KAOXLYBCSA-N 468.601 5.250 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)c1 1799303073 YUIVGNVEQLDMLF-KOUNCHBCSA-N 484.987 5.148 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccc(Cl)cc2c1 1800934657 AHFICNZDGHOMPD-NUNAXRQHSA-N 482.100 5.191 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)c1 1801203952 DIUSUTDKSMPJDD-TWHAJKEOSA-N 477.564 5.779 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1801698219 XWZQEUNZXBHASQ-BCDXTJNWSA-N 469.557 5.360 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1802440734 CAJUYXZXYWZIAX-AECXWJALSA-N 491.016 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccnc3s2)[C@H]1c1cccnc1 1802503555 QBFXHKLVIONRCF-IRLDBZIGSA-N 462.619 5.003 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1803091431 GGZTZAASCIINNB-FDDCHVKYSA-N 473.951 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1804213467 OVWIJOCNWYHAOZ-ATIYNZHBSA-N 498.067 5.592 30 20 JKED O=C(CCCC(F)(F)F)N1CCCC2(CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)C1 1806543611 NJXGKQKJGFYYLG-UHFFFAOYSA-N 482.440 5.422 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(F)cc4Cl)C3)CC2)c1 1806558996 MRBHLTZTGREXGZ-IBGZPJMESA-N 481.999 5.194 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)cc2C)[C@H]1c1cccnc1 1810772529 ZJQSIIOGFKSMFB-NFBKMPQASA-N 498.465 5.465 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811252814 YNNKELVNJHRUEE-RRPNLBNLSA-N 499.561 5.012 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1811304865 QVMKHSNGCMCNDG-DFHRPNOPSA-N 496.636 5.415 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812590279 GYLOLUYBHMEREB-CMPZQBNXSA-N 464.368 5.059 30 20 JKED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1813035527 KLMAODJMBXTZQB-YWOZSHDGSA-N 486.081 5.033 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[nH]n2)C1 1814394249 LFRHVIBLDFRSSJ-FQEVSTJZSA-N 464.953 5.595 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)[nH]n1 1814445164 BHMIJCPQIQZSIW-FQEVSTJZSA-N 489.661 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCOc2ccc(F)cc2)n[nH]1 1814650591 DIYAAVOSJRWXCE-OAQYLSRUSA-N 456.562 5.002 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1815214385 AHMXNMKUVFLRQF-UWJYYQICSA-N 487.560 5.048 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)n[nH]1 1817677586 BGASDJFNIVZWSB-QRQCRPRQSA-N 481.000 5.280 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)CC3)n[nH]1 1817941312 UYSJXJMGLCSZOM-UTKZUKDTSA-N 450.583 5.031 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(C(C)(C)C)cn2)n[nH]1)c1ccccc1 1818432340 OUXJIDWKAXTVOU-QPPBQGQZSA-N 498.631 5.000 30 20 JKED Cn1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc2ccccc21 1818438977 HVIAKUMELILGAH-JOCHJYFZSA-N 486.963 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3nc(C)sc23)n[nH]1 1818534244 RXYLNZSGYSTJEP-HXUWFJFHSA-N 465.623 5.626 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)c2[nH]1 1818649223 CYAVBNLXFRIHJQ-DEOSSOPVSA-N 480.572 5.010 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)[nH]n1)c1ccccc1 1819518024 DOQWXVNRJVJOKL-REWPJTCUSA-N 497.555 5.161 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)[nH]n1 1819555852 FUSODSDPTAORET-ICSRJNTNSA-N 489.661 5.088 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1820971157 ZZHUTRSDLNEXFD-YOEHRIQHSA-N 488.013 5.385 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)cc(Cl)cc3Cl)n[nH]2)c1 1821204368 YRIRAWGDMADTML-IBGZPJMESA-N 486.334 5.347 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)c(Cl)c1 1821274273 PUPZWKHSILOZFF-NRFANRHFSA-N 465.916 5.002 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1)c1ccc(Cl)cc1 1821857956 DFSQUWPFQWCPJP-IFMALSPDSA-N 468.001 5.189 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)c3ccccc3)n[nH]2)cc1C#N 1823495547 BSLABDBLTOCYPI-CYFREDJKSA-N 485.588 5.178 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cn1 1823651141 NILRTNZWAYKFEZ-AREMUKBSSA-N 486.660 5.117 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 1823683300 RYQMQFKLMNRLIP-RUZDIDTESA-N 464.009 5.078 30 20 JKED CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1823684366 WFNNUCJOQJNOKQ-VSGBNLITSA-N 471.645 5.304 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1824032064 ULMWGBPZDNNWRC-PKTNWEFCSA-N 487.619 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccc(C)cc2)CC1 1824137399 ILQCFUNZLKMKRU-AREMUKBSSA-N 452.639 5.152 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1824146332 WPBJFBQXAQDQDS-XMMPIXPASA-N 468.638 5.014 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccco2)CC1)c1ccccc1 1825265620 YGASDLSMUMYSGL-OFIGOYSMSA-N 458.602 5.110 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827334784 WDGSNQZODPCZFT-MHZLTWQESA-N 489.660 5.273 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827519997 OVBNYIDFDOQBKY-VGSWGCGISA-N 456.030 5.575 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1828828532 LPDNEPWUILLWAY-CTNGQTDRSA-N 451.533 5.035 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1)C(F)(F)F 1829419367 QCXYILKVSFMEDY-IBGZPJMESA-N 477.552 5.162 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)n(C)c2C)CC1)c1ccccc1 1829544414 HRGNXPJIXDIUHH-IAPPQJPRSA-N 473.661 5.072 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829598064 QVYFSAYDEWUVIU-HTAPYJJXSA-N 481.687 5.448 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829706164 KXDSTCKGXPQZID-MHZLTWQESA-N 460.593 5.530 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cccc2F)CC1)c1ccc(O)cc1 1829892598 UYAYSSQBDKPDCS-NVQXNPDNSA-N 494.582 5.101 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829903226 BAEVNSYJUWIZSW-ATIYNZHBSA-N 476.617 5.303 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)c1 1829954630 HXBNLGMXJJZXGM-HSZRJFAPSA-N 475.589 5.459 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)c1 1829956882 WGUCJQFEYYLBGS-UKILVPOCSA-N 476.020 5.175 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1829959743 ZXDCPLGVZWXVHX-HSZRJFAPSA-N 469.507 5.124 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)c2[nH]1 1830718659 JWEHUGGXMUXZOK-RUZDIDTESA-N 472.564 5.034 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1830769110 GZGHZPMGRBZJEU-AREMUKBSSA-N 489.019 5.549 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)cc1 1830827712 KYXIBVBWVJEUFD-MHZLTWQESA-N 497.643 5.034 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)s1 1831139622 INTDANIDUAFEDK-DENIHFKCSA-N 465.729 5.064 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1 1832556057 MKRFPEVWANJOOC-AREMUKBSSA-N 459.565 5.122 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](CCC)CC3)CC2)CC1 1838374986 RDDZOLPIPMVOMV-JQYIIUTOSA-N 458.687 5.360 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)CC1 1838375080 WGFCLJORKXGECQ-VWLOTQADSA-N 485.068 5.139 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCCCCCCCCCC(=O)OC 1847267676 BOIQNACQODZMPQ-GOTSBHOMSA-N 462.675 5.255 30 20 JKED C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nc2scc(-c3ccc(C)cc3)c2c1=O 8649365 PRAGCSJCGPAWJU-UHFFFAOYSA-N 483.565 5.628 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c(C)c1 10168868 ONPUOSNXPHWZIM-UHFFFAOYSA-O 457.663 6.644 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1ccc(OC(F)F)cc1 10172713 GAVSXDCKXCHCOT-UHFFFAOYSA-O 496.386 6.496 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(O)c2)cc1 10174180 JJZLPRIAABHOLB-UHFFFAOYSA-O 475.512 5.753 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(O)c2)c1C 10836370 LMCCXVSRHVRLSP-UHFFFAOYSA-O 477.393 5.185 30 20 JKED Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 10927318 MIZXJZFAHCNUJR-AWEZNQCLSA-N 451.523 5.068 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Cl)c2C)cc1 11258278 XSMUPJVOHVRCBQ-UHFFFAOYSA-O 488.023 7.169 30 20 JKED C=CCn1c(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)nnc1-c1ccccc1OC 11389949 LHPPXQNQKYUJQH-UHFFFAOYSA-N 484.430 5.013 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(CO)c2)c(Cl)c1 15248372 WDRGGTOFCOAITG-UHFFFAOYSA-O 482.069 6.085 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1 16823218 ZBTAKGGFQUWCSN-HNNXBMFYSA-N 457.397 5.321 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)nnc1-c1cccs1 22240242 FUZIRBSLPUIBBX-UHFFFAOYSA-N 462.604 5.037 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cccc(Cl)c2)cc1 22730618 YIVPULRISAUHCQ-UHFFFAOYSA-O 454.959 5.457 30 20 JKED Cc1cc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23604124 YSJGTNRARBDUOJ-UHFFFAOYSA-O 454.619 5.238 30 20 JKED C=CCn1c(SCC(=O)OCc2nc3ccccc3n2C(F)F)nnc1-c1ccc(Cl)cc1 25452357 WGUCTAISSBZCMZ-UHFFFAOYSA-N 489.935 5.365 30 20 JKED Cc1cccc(-c2nnc([C@@H](C)OC(=O)[C@@H](C)Sc3cc(C)c(C#N)c4nc5ccccc5n34)o2)c1 26467769 QKPXDBPWHXCARJ-QZTJIDSGSA-N 497.580 5.811 30 20 JKED C=CCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccc(Br)cc1 32858034 AYLBBKXOBIOBNN-UHFFFAOYSA-N 460.382 5.297 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nnc1-c1ccoc1C 36252295 STIZIKSFVXJIFA-SFHVURJKSA-N 479.587 5.157 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 36760904 DSWQYAPBCWMHJF-XMMPIXPASA-N 486.959 5.582 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nc2sccc2c1=O 36800016 MLXIFUFIGRIWDG-NRFANRHFSA-N 461.612 5.733 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1Cl 68798553 GKRPWKCRMMQTBQ-UHFFFAOYSA-N 497.350 5.905 30 20 JKED CC(=O)N(c1nc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)cs1)c1ccc(F)cc1F 68845948 FXRNWAWUWNSQQS-LFIBNONCSA-N 493.560 6.442 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 302951347 DUDBQTHCIJNKTF-HSZRJFAPSA-N 454.555 6.638 30 20 JKED Cc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c3c2CCC3)c(F)c1 409791543 HXENDRDPBDURCM-UHFFFAOYSA-N 467.504 5.428 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3NC(=O)Cc3cccs3)o2)cc1 409990481 CHMBUVYXCVQUKJ-UHFFFAOYSA-N 457.511 5.225 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nc2sccc2c1=O 477214080 AZWDRAOARSSQEY-UHFFFAOYSA-N 459.596 5.200 30 20 JKED C=CCN(CC=C)C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2nc(N3CCCCC3)sc12 477216257 JDWBORYEXKFLBP-UHFFFAOYSA-N 478.618 5.180 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCc2ccccc21 484876855 DLJFAYCUKSCFQH-AOYPEHQESA-N 471.988 5.860 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc(C)c2)c1 498493732 YGLOZECSAIEPQZ-UHFFFAOYSA-N 469.006 5.302 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)CC2)c1 502588719 NEGMGSBKXYDPCJ-UHFFFAOYSA-N 474.948 5.887 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 504634346 KWRSYQJLWSJEID-GOSISDBHSA-N 475.408 5.184 30 20 JKED N#C[C@H](C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)c1nc2ccccc2o1 507008191 RWKSAHKVXVRIHI-LJQANCHMSA-N 485.565 5.438 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 508157581 MPJDTOSVJRODBA-UHFFFAOYSA-N 473.621 5.685 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c2)c1 508383956 FLZFOJCAOBIEMT-UHFFFAOYSA-N 472.504 5.514 30 20 JKED CN(Cc1cc(Br)cs1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509903908 FGGHTKHPEUKDJH-UHFFFAOYSA-N 470.392 5.820 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 511787227 QAKXUIWKUXDNPU-PPHZAIPVSA-N 467.569 5.597 30 20 JKED Cc1cccc(Oc2ccccc2NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 512159402 JSMXDBHOBRXUMV-UHFFFAOYSA-N 468.513 5.762 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nc5ccccc5s4)o3)n2)cc1 512489853 SXXSAJKHQCMJAV-MRXNPFEDSA-N 457.536 6.178 30 20 JKED Cc1cccc(COc2cccc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2)c1 513656190 YXAJDSAVQGOACL-NRFANRHFSA-N 469.566 5.653 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)cc1 514031815 XYTJGSPRTFMRQZ-UHFFFAOYSA-N 485.313 5.335 30 20 JKED CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OCC 515195480 WOFSNSGDELXEKZ-UHFFFAOYSA-N 465.937 6.147 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4cc(Br)ccc4o3)s2)cc1 515204781 WURSGPRPESSKJD-UHFFFAOYSA-N 471.361 5.463 30 20 JKED Cc1cc(C)nc(-n2nc(C)c(CC(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)c2C)n1 519095660 HCDCVJCMDMEMLJ-UHFFFAOYSA-N 484.991 5.197 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)c1 519205377 WZRAUUYESHDVLN-QHCPKHFHSA-N 476.577 5.451 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)nc(O)c2c1C 519485169 ILLSQVJNYJWUDJ-CRAIPNDOSA-N 468.648 5.314 30 20 JKED CC(C)OCc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 521247618 WJXSYFBXBIFDJO-UHFFFAOYSA-N 459.571 5.466 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)c2)cc1 521495215 PNGAJCLWZAWWLO-UHFFFAOYSA-N 450.454 5.718 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)cc2F)c1 521546999 QGKDVMLYGVWNRM-VWLOTQADSA-N 475.495 5.012 30 20 JKED CCCCNC(=O)c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 523539348 VDTAXUYSUOZWPJ-UHFFFAOYSA-N 472.564 5.139 30 20 JKED C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 589741703 QLULENKEAMUAEI-GOSISDBHSA-N 452.942 5.756 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccc(F)cc1 589940960 FXCJSDQSZFSBPL-HNNXBMFYSA-N 481.622 5.449 30 20 JKED C[C@H](NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)c1cccc(C(F)(F)F)c1 590064547 AFIMKJAUQNRFHH-LBPRGKRZSA-N 473.410 5.162 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 590654715 SMQNUWZONCLBHP-UHFFFAOYSA-N 466.566 5.347 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@@H]1C 590666658 HCBWCNPGGMOWJL-MBSDFSHPSA-N 499.014 6.078 30 20 JKED C=CCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C)c1nc(-c2ccccc2)cs1 595899973 QUTBHBLPAWMGQX-UHFFFAOYSA-N 459.575 5.319 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCCCc3nc4ccccc4s3)s2)cc1 603941561 SNUBSKUTAFDGQF-UHFFFAOYSA-N 465.629 5.663 30 20 JKED Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1-c1cccc(Cl)c1 603995569 IQBDEVDCUAKVFF-UHFFFAOYSA-N 455.905 5.210 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609057898 AMKDZVRLKWFTOA-GOSISDBHSA-N 483.499 5.613 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 609207286 ZGBWJMXBXINVEW-UHFFFAOYSA-N 465.513 5.812 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c2ccccc2)cc1 609228317 OUCCTAOVWCGLLH-DEOSSOPVSA-N 479.502 5.319 30 20 JKED N#Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c(F)c1 609229605 DNSBQVCWTLQQCN-UHFFFAOYSA-N 477.952 5.007 30 20 JKED Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2c1C 609378256 YQKCNMFERHNZLF-HNNXBMFYSA-N 490.679 6.963 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1)c1ccccc1 609420941 LRIYMXVZNRYFOZ-VWLOTQADSA-N 459.977 5.467 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1ccc(I)s1 609435310 FOWYDIMWWBVNRE-LBPRGKRZSA-N 471.389 5.111 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)cc1 615001882 QACPZNAHRMLNTB-UHFFFAOYSA-N 465.347 5.196 30 20 JKED C=CCn1c(Sc2ccc(C(C)=O)cc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 619685355 ACJSHNZABHQULT-UHFFFAOYSA-N 459.325 5.156 30 20 JKED COc1cccc(C2(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCOCC2)c1F 622562878 RUVQSUBBYQTQGG-UHFFFAOYSA-N 465.365 5.308 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1ccccc1Cl 726320110 SKRIFRPKXNAMNZ-OAHLLOKOSA-N 463.868 5.372 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726406955 NISZBFWWMUEBPE-ZHRRBRCNSA-N 489.988 5.328 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2cccc(F)c2)C1=O 726421593 OEJHTGJTFLFLQH-IMPGVWCTSA-N 497.617 5.486 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2ccc3c(c2)CCCC3)C=C1 726571130 DPUWFMXQOQZLLM-UHFFFAOYSA-O 471.027 5.074 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ccc(OCC#N)cc2)c(OC)c1 727675176 XBTSIEOKWCEKTE-UHFFFAOYSA-N 469.541 5.003 30 20 JKED Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)o1 728372666 QMFMHNMWJCHSFA-UHFFFAOYSA-N 479.496 5.336 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2Cl)cc1 728423191 PRGPBPIXGMJQBZ-QHCPKHFHSA-N 499.983 5.244 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(Br)cc2C)cs1 728433061 PTFKTGPFCWTTEO-UHFFFAOYSA-N 497.340 6.363 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)c1 728778938 VYKDIXMWWWWRKV-OAQYLSRUSA-N 469.010 5.611 30 20 JKED C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 728921323 UVFDXRFNGPGAML-AWEZNQCLSA-N 458.967 5.075 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O)NC1CC1 729142247 IVLBUJLYMFVGNX-GGAORHGYSA-N 469.557 5.106 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 729146530 SHVBQYVHUJJZMG-OAQYLSRUSA-N 476.627 5.101 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)cc1 729634527 NODBQAOWHLTAMA-DEOSSOPVSA-N 488.613 5.176 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Oc3ccc(F)c(F)c3)c3ccccc3)n2)cc1 730692147 UQNPJSGHGUULEW-NBGIEHNGSA-N 476.504 6.093 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1cocn1 730709994 WVCMPRYHHYGTEL-LJQANCHMSA-N 489.384 5.450 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730717419 MGPRFUMAQDFCOJ-SFHVURJKSA-N 475.357 5.142 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cocn3)C2=O)cc1Cl 730720885 XDAIWBJCQXKLLQ-IBGZPJMESA-N 489.384 5.450 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 730944415 WLYGISHJGGPESW-HRAATJIYSA-N 496.539 5.405 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 731078834 RGDWQWSOGNHCKW-OLMNPRSZSA-N 473.392 5.129 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731305276 BJJFGAHYHRTQJV-OAQYLSRUSA-N 497.523 5.154 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c1 731308338 NLGJUDYKYASRCH-NRFANRHFSA-N 465.600 5.231 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2cccs2)c1 731309268 VAIDYADUGARSBB-VGSWGCGISA-N 479.627 5.354 30 20 JKED Cc1ccc(F)c(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccccc2)c1 744116067 PYMJDGBJYKXLRH-UHFFFAOYSA-O 450.559 5.151 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccc2cccnc12 744996689 DWFWRZCFASFXKC-XMMPIXPASA-N 491.576 5.267 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc2c(c1)-c1ccccc1C2 746633823 QAQWRKADEBOBHE-UHFFFAOYSA-N 470.550 5.018 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCCOC2CCCC2)C1=O)Nc1ccccc1F 747044805 ZXWQMNMWPYZAFF-QFIPXVFZSA-N 469.582 5.135 30 20 JKED C=CCc1cc([C@@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccccc2CC)cc(OC)c1O 747144353 SVBMHTBKCQQRSU-VWLOTQADSA-N 475.589 5.081 30 20 JKED COc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccc(C)s4)csc3n2)cc1OCCCC#N 747361111 BURXAPJDICHZRR-GZTJUZNOSA-N 498.029 6.862 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 750393086 XEBPXECCFWQMCR-GOSISDBHSA-N 487.553 5.875 30 20 JKED Cc1nc(-c2cccs2)ccc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 760712308 MSNIMJMUGYRMMC-UHFFFAOYSA-N 484.581 5.252 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)N(CCC#N)c1ccccc1 779184887 XOYNPTVGCXFOKR-HXUWFJFHSA-N 469.566 5.343 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)c(C)c2)cn1 837300502 WQADMPJPNJQYOY-QFIPXVFZSA-N 492.576 5.007 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)cc1F 838258686 QEYVSVFQHFJAIO-QRQCRPRQSA-N 498.530 5.529 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@H](C)c2ccccn2)c1 838277207 KXRCTNUVSNMNLB-HOYKHHGWSA-N 488.613 5.374 30 20 JKED C[C@H](OC(=O)c1ccccc1SCc1cscn1)C(=O)Nc1sc2c(c1C#N)CCC2 875248126 MYEPSPYURVWIMW-ZDUSSCGKSA-N 469.613 5.041 30 20 JKED C=CCOc1ccc(/C=C/c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)cc1OC 904482083 XSGSTBXOSAWGNR-UKTHLTGXSA-N 451.486 5.214 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914538366 NVQMQQPSUVBFEO-KUHUBIRLSA-N 493.601 5.216 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 915085870 GBCJQQJHRVBUJE-NRFANRHFSA-N 471.969 6.562 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)[C@H](C#N)c4nc(-c5ccccc5)cs4)c(=O)c23)cc1 915101682 FZPPOVNYYCHDQA-FQEVSTJZSA-N 496.617 5.824 30 20 JKED N#C[C@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc2ccccc2n1C(F)F 915106729 FQCBLVMTJOOQTF-GOSISDBHSA-N 471.467 5.237 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CC2CCC2)C1=O 915115888 AKZYOJAGMYOPBY-FQEVSTJZSA-N 457.983 5.109 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)cs1 915776956 CYRDUXXEWBKPKZ-AVRWGWEMSA-N 480.593 5.590 30 20 JKED CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 916137944 WGTQWNGLKXJHMB-DHZHZOJOSA-N 453.325 6.100 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(C3CC3)C2=O)cc1Cl 916211435 NPTNCOJRNGRWSL-GOSISDBHSA-N 464.374 5.125 30 20 JKED Cc1ccc(C/N=C2/NC(=O)[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)cc1 916232934 RULAHTGAIMGPRA-MRXNPFEDSA-N 456.782 5.072 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c(Cl)nc2sccn12 916273059 QQWRMGWCCXREKH-UHFFFAOYSA-N 460.371 5.332 30 20 JKED CCOC(=O)c1ccc(-c2ccc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)o2)cc1 916283469 BSIOSCJIUSKDJA-UHFFFAOYSA-N 483.549 5.752 30 20 JKED COc1cc(C=Nn2c(S)nnc2C(F)(F)F)ccc1OCc1ccc(Cl)cc1Cl 916304767 BQZZASOCGURYFQ-UHFFFAOYSA-N 477.295 5.362 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc(N)nc(Nc2ccccc2)n1 916879265 CAMWWNAHHORRSB-JOCHJYFZSA-N 491.530 5.294 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(C)[nH]c4ccc(Br)cc34)n2)cc1 916974744 OZCPZKBHNGDGJZ-LJQANCHMSA-N 464.388 6.090 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 917030602 XNHVGZVLHAVYKX-UHFFFAOYSA-N 479.493 5.354 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 917119429 DXVFMENHEKVENG-WUFINQPMSA-N 458.517 6.049 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 917504343 AVOPLSMJDQTSDH-JOCHJYFZSA-N 494.551 5.175 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cs1 917561923 BKUMZGYNPWSJSZ-DTQAZKPQSA-N 472.541 6.442 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1ccc(SC(F)F)cc1 917635262 IHUFWWKZLVVTME-CQSZACIVSA-N 475.464 5.268 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccc(C#N)cc2)C1=O 917668834 HOHURPUKVUIVFS-DEOSSOPVSA-N 484.581 5.036 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cccc(C)n1 917694893 QRIFHTVEFWASLV-JOCHJYFZSA-N 495.004 5.213 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cccc(C)n3)C2=O)c1 917696962 QZHQXYCIFWPCON-QHCPKHFHSA-N 494.567 5.446 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CCc3cccs3)C2=O)cc1 917703034 KDSHBBSKCJHSHE-JOCHJYFZSA-N 474.611 5.131 30 20 JKED COc1ccc(OCc2nc(/C=C3\SC(=Nc4c(C)cccc4C)NC3=O)cs2)cc1 920064438 AVGKWYONTFVFPC-ODLFYWEKSA-N 451.573 5.239 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cc1 920140748 GMLHZYNGPPJUOB-NRFANRHFSA-N 470.579 5.623 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Sc3ccccc3)c3ccccc3)n2)cc1 920142681 MDDGJUXHQMLHQE-RDGATRHJSA-N 456.592 6.529 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)n2)cc1 920144021 WEHBJMCRXROBIS-YADHBBJMSA-N 461.587 5.148 30 20 JKED CC(=NOCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2n1C(F)F 920400318 JBTZFDXVQGMFMT-UHFFFAOYSA-N 452.248 5.729 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 920869243 NWGSYXSVFSCIPU-HTAPYJJXSA-N 471.598 5.192 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C2)C1 1780205046 PSFXJJDSJWDAOP-DJUQAAIZSA-N 485.628 5.026 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](NC(=O)OC(C)(C)C)C4=CCC=CC4)CCC3)cc2)C1 1785808470 DBXADNGRARGRAB-XMMPIXPASA-N 491.632 5.256 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)cc2)CCC1 1786028372 FZLBYFYHTHDWFR-RPWUZVMVSA-N 450.554 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)c1 1786245645 MBAXMOXZUXFKRY-SFHVURJKSA-N 465.544 5.887 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)Cc3cc4cccnc4cc3F)CCC2)cc1 1786394643 DHGFIPPFXBQNJK-DEOSSOPVSA-N 465.594 5.005 30 20 JKED COc1cccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)[C@@H](C)ON=C(C)C)CCC4)cc3)c[nH]2)c1 1787037550 SNDYMBWKSIFLQU-LJQANCHMSA-N 488.588 5.239 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CCC2)cc1 1789577764 FHBZZFPFTHDKPJ-LZYZMGNXSA-N 461.606 5.439 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(F)cc3C(F)(F)F)CCC2)cc1 1789579369 HMUZDAKRSUFVSW-AMVVHIIESA-N 487.453 5.304 30 20 JKED COCc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)c1 1790039710 VMPZVQQRTIUPRV-UHFFFAOYSA-N 496.489 5.113 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cnc5[nH]ccc5c4)CCC3)cc2)c1Cl 1790082472 CEZLXKDAFDAFFK-UHFFFAOYSA-N 497.986 5.468 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790289920 AEVJWMKKZKQTNH-UHFFFAOYSA-N 465.509 5.380 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)CCC1 1790331346 LDYWTBMUYWBWII-QFIPXVFZSA-N 499.558 5.182 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)CC3CCC(c4ccnc5ccc(F)cc45)CC3)cc2)CCC1 1790384292 TVBMYNYFPAWVCS-UHFFFAOYSA-N 498.602 6.086 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc3)CCC2)C1 1790479705 BXCKEEDOBRLARV-PGRDOPGGSA-N 469.626 5.026 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)CCC1 1790620980 UJUIDWOOMKILJE-OAQYLSRUSA-N 468.553 5.265 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1 1790649724 DQKBSPXKMTXDOH-AMVVHIIESA-N 487.453 5.304 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)nc2ccccn12 1790766741 AJHSLNNQLHNKHP-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)cc2)CCC1 1790994198 CVQNEIAJXMGXGW-UHFFFAOYSA-N 483.593 5.727 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(C(C)=O)cc3)CCC2)cc1 1791244053 KHBQQHSAUAMSPZ-FQEVSTJZSA-N 462.590 5.395 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4sc(C)nc4c3)CCC2)cc1)C(F)(F)F 1791302779 JTSXEXRIKGDGKU-UHFFFAOYSA-N 459.493 5.471 30 20 JKED COc1ccc(F)cc1CC(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1791677275 ZDYWYAFKZFOPSH-UHFFFAOYSA-N 485.559 5.015 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cnc1C 1792168312 MBXSWMFFMQSFRI-UHFFFAOYSA-N 482.584 5.419 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCC(F)(F)F)c(F)c1)C2 1792573387 QYDCMALQPHSKOR-BCDXTJNWSA-N 470.507 5.011 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1cccc2ccccc12)c1ccccc1 1794070440 LQNSEWYFHPJAEX-IYOUEGCASA-N 480.608 5.054 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1797878061 ZAVFEGBAUYAHLK-KMWHABIXSA-N 456.747 5.282 30 20 JKED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1799280134 OGPYKQFRPNSDKO-HLRQEUIKSA-N 492.582 5.596 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccoc2C(F)(F)F)[C@@H]1c1cccnc1 1802504135 VUARKIPVSHOASU-IEBWSBKVSA-N 463.500 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1Br 1802516916 UJKLLYXRZAOKNN-JLYJBUFASA-N 459.428 5.093 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@@H]1c1cccnc1 1803082052 NFUXCAPFVKDSJY-ABYGYWHVSA-N 494.639 5.540 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1803082621 XBXMJAUTZJDOHK-OFNKIYASSA-N 487.522 5.068 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CCC)CC2)[C@@H]1c1cccnc1 1803089325 NYQZYSFLGMMPRB-BJTUFNSYSA-N 451.655 5.462 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)CCc4ccccc4Cl)CC3)C2)cc1 1804758982 VJBRFTLYMCXPMG-UHFFFAOYSA-N 478.036 5.008 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc([C@@H](C)NC(=O)OC(C)(C)C)cc4)CC3)C2)C1 1804787340 YSSYHKDVLCIURE-OAQYLSRUSA-N 495.664 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccnc(C(C)(C)C)c2)[C@H]1c1cccnc1 1804860969 UVWKYFIEMLSJKR-LADGPHEKSA-N 462.638 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)C1 1804866052 LXOOTTUYDLFYCB-JOCHJYFZSA-N 491.717 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@H]1c1cccnc1 1810175199 XMBOSERIMFHEQE-BDBHHUNTSA-N 498.627 5.059 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccnc1)c1ccccc1 1810444782 UIDHBQTZTISHBC-PBWSGDRGSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(C)c2)[C@H]1c1cccnc1 1810494328 HFTILRYFMIULHS-NAKRPHOHSA-N 496.655 5.764 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@H]1c1cccnc1 1810494364 HICNNHLQAZBMHF-YWEHKCAJSA-N 496.655 5.764 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@@H]1c1cccnc1 1810501179 AFADKCJBVXHHNG-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c(OC)c(C)c2)[C@@H]1c1cccnc1 1811539891 UYXADKRJQNICET-VWNXMTODSA-N 463.622 5.019 30 20 JKED Cc1c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1811889664 FYRONYOGQFIEQO-LVXARBLLSA-N 497.986 5.030 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1812667415 GZQPTLNKVCVMJF-OXQOHEQNSA-N 489.975 5.481 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1813966512 BHWCJUPPCLTEOZ-GCJKJVERSA-N 491.529 5.552 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814413313 PWYOHJAVEWSPCW-RKZJEGACSA-N 479.993 5.406 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)C(C)(C)C#N)n[nH]3)ccc21 1814569329 LEFXEIQMXRIAEQ-XMMPIXPASA-N 482.588 5.393 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938685 DCEYZGXPRBWBIB-REWPJTCUSA-N 475.058 5.414 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1)C1=CCCS1 1815272827 DLMYKFFYSJQQRF-DEOSSOPVSA-N 482.609 5.136 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(F)CCCCC2(F)F)n[nH]1 1818884653 BNVFRYRQFHZHEL-XMSQKQJNSA-N 452.521 5.088 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4cc(Br)ccc4c3)n[nH]2)C1 1818984785 AQDIEBWLQKGCOB-JOCHJYFZSA-N 493.405 5.598 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)c(OC)c(C)c2)[nH]n1 1819309108 MPRRBVIBANBBMO-UNMCSNQZSA-N 450.583 5.109 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1)c1ccccc1 1819520664 OUHOKFJSFYCTBF-YIXXDRMTSA-N 491.595 5.461 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)n[nH]1 1819919731 MYGIUJZXSJDKPP-SFHVURJKSA-N 495.933 5.551 30 20 JKED COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c(C)c1 1820659136 QBIQCTOXPMTYBB-HSZRJFAPSA-N 480.685 5.084 30 20 JKED Cc1cc(C)cc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c1 1821182991 MKUUVCTVQQAYOF-VWLOTQADSA-N 469.589 5.031 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(Br)c(F)c2)n[nH]1 1821790785 RSVSVFXVMLHTOM-YWZLYKJASA-N 491.405 5.148 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1 1823813080 YVKRESUVYMLNCY-VWLOTQADSA-N 494.035 5.086 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1823911607 RPGIWWPDQHYJQD-CZQLGGELSA-N 485.049 5.382 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2ccccc2)CC1 1824389360 LTPOZSBXXKMCFC-SDUSCBPUSA-N 454.680 5.555 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)o1 1824684604 FPSWRDVOVRPAAW-NRFANRHFSA-N 473.495 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 1828824670 NYOOCXDRDMGTIY-VPUSJEBWSA-N 461.650 5.109 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1828830633 VWJPSLSWMAOZRK-BJKOFHAPSA-N 489.701 5.022 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1829068549 CUWSVYMWEOSSFN-XZOQPEGZSA-N 491.717 5.292 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573949 PBJGVGSMCWFNKN-RDPSFJRHSA-N 473.617 5.873 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3F)CC2)cc1 1829659102 JLVRJRSQFUFOAX-XMMPIXPASA-N 499.533 5.040 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)cc1 1829968481 SPSLCDBGQFBLHQ-RUZDIDTESA-N 464.009 5.078 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1830012193 AVGBQBOJFCMKQF-HHHXNRCGSA-N 484.575 5.240 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c(F)c1 1830632423 LKSYMABKZZVVJB-HHHXNRCGSA-N 491.607 5.226 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)CC1 1830633272 LLMJAYAYAVTWLO-XMMPIXPASA-N 463.622 5.567 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cnccc34)CC2)c(Cl)c1 1830721377 DNCAUHOTUGCLGA-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1831447238 YVGCCTDSJDJLDT-DEOSSOPVSA-N 467.560 5.193 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1832028238 JNDGPRCTHIKOOU-SANMLTNESA-N 457.618 5.176 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C(C)(F)F)CC2)c1 1832629409 PMTBRNVTTWXRGD-GCJKJVERSA-N 459.581 5.228 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)cc1C#N 1832704476 LGKKZTGCHROFJB-WHSBFGAESA-N 479.665 5.405 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)cc1C#N 1832704699 PHMWZDUUFUZOHI-VWLOTQADSA-N 477.649 5.159 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)CC1 1838223691 HRHKYKGQJYNERE-UHFFFAOYSA-N 487.065 5.361 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3csc4c3CCCC4)CC2)CC1 1838315548 WYGSHBSECLMMDU-QFIPXVFZSA-N 470.679 5.008 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(-c4ccccc4)cc13)C2 1841057589 CQCVKXXYJCPCNC-UHFFFAOYSA-N 456.590 5.039 30 20 JKED N#CC1(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)CCCCC1 8989165 RCNZZQMMTLDQCW-UHFFFAOYSA-N 466.010 5.082 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1cccc(C)c1 10241321 GCIDIBLLPNNGRX-HSZRJFAPSA-N 460.628 5.499 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Br)cc1 10611589 DFXFURZGVUXLDM-QGZVFWFLSA-N 485.451 5.938 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1C#N 10711548 VWKPNOXPGQCRGA-INIZCTEOSA-N 457.555 5.404 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 10831413 LKOSWIJXZFZNOH-UHFFFAOYSA-O 458.072 6.654 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1ccccc1)c1ccc2c(c1)CCC2 11085124 ISODEDHLIUZRDZ-UHFFFAOYSA-O 452.397 5.276 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccccc2CC)c1C 11153760 ZWMMAGDDWAHFTE-UHFFFAOYSA-O 478.638 5.326 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)s1 11169751 LEIOWMKCNRQBOY-UHFFFAOYSA-O 482.025 6.470 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 12272376 OZWNZEMWYBMNFE-UHFFFAOYSA-N 490.368 5.379 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)cc1F 14872480 UMEQCIPAKDSDSC-UHFFFAOYSA-O 479.597 5.541 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)n1 16751264 PWECQEBECLIFQQ-KRWDZBQOSA-N 459.449 5.247 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccc(F)cc1 16835751 YXFWMRFVNFHXHZ-CQSZACIVSA-N 475.387 5.460 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2CC(C)C)cc1 21583272 OEICEMMNNDUGGP-LJQANCHMSA-N 465.598 5.476 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c1 22206190 BHKGJGRQNLERIM-UHFFFAOYSA-N 471.586 5.492 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccccc2CC)cc1 22732017 PAYVYSWSBSFWRV-UHFFFAOYSA-O 468.440 5.912 30 20 JKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)c(Cl)c1 23604662 NWYQCXGRHNVGNQ-UHFFFAOYSA-O 469.074 6.538 30 20 JKED Cc1sc2nc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)n(C3CCCC3)c(=O)c2c1C 24018746 IRCKFBMVQRECCV-QGZVFWFLSA-N 498.649 5.757 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1ccccc1Br 36275087 WIEKHPQZCFSCBI-UHFFFAOYSA-O 494.406 6.102 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 46667742 DGKXUJZSFOZERW-OAQYLSRUSA-N 462.509 5.199 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 97542866 PGVZPMWYUIUPEK-FQEVSTJZSA-N 452.510 6.431 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nccn1-c1ccccc1C 108478263 CKRHATCMYSHBKP-UHFFFAOYSA-N 455.543 5.279 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2csc(N(C(C)=O)c3ccccc3CC)n2)n1 115498162 BFQXACNSQWGHSZ-UHFFFAOYSA-N 466.588 5.126 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1 195630575 WEOQQGHQSVLWRK-UHFFFAOYSA-N 470.598 5.521 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc2F)c1 481601279 XFCSWNVDTHHKBZ-OAQYLSRUSA-N 472.520 5.159 30 20 JKED Cc1cc(Br)c(NC(=O)CSCc2ccc(F)cc2C#N)c(Br)c1 488587878 RHWRNWYHZPVYSF-UHFFFAOYSA-N 472.177 5.403 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2cccnc2)C(C)C)nc2cc(-c3ccccc3)sc2c1=O 496445862 CXFGXGUZTKJZQQ-QFIPXVFZSA-N 490.654 5.139 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1C 498728002 IASCEDVCZSEFKP-UHFFFAOYSA-N 477.568 5.610 30 20 JKED CCCOc1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1OCCC 501096474 IQNYJGKULZEKJF-UHFFFAOYSA-N 473.577 5.038 30 20 JKED N#C[C@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc(-c2ccc(Cl)cc2)cs1 501285062 ISNMKBUMGAUOKC-MRXNPFEDSA-N 480.380 6.065 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)CC2)c1 501686834 HRRBBGVMXWISQL-UHFFFAOYSA-N 485.396 5.479 30 20 JKED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 503733529 WLKWDZPKOSYCGG-XMMPIXPASA-N 483.549 5.037 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 508275975 RPLGLCLKFJRWRO-UHFFFAOYSA-N 470.573 5.393 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 509261140 ALRWYWRBANNTLF-NRFANRHFSA-N 494.378 5.630 30 20 JKED CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 509648625 JPDVKSLZZPCLKU-UHFFFAOYSA-N 477.508 5.266 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 510284327 ZFYIQIMETGUUFQ-SFHVURJKSA-N 459.571 5.667 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(F)ccc3I)c2)c1 510855537 XETFBKBGMNNAQT-UHFFFAOYSA-N 472.257 5.133 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 511390558 JZAIKKFIJUAAMU-UHFFFAOYSA-N 494.576 6.523 30 20 JKED CCCCOc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 511476259 NCKSFOCWJSLULH-UHFFFAOYSA-N 472.545 5.320 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1nc2ccccc2[nH]1 513658816 BLTUIKUAQZDFID-SFHVURJKSA-N 459.303 5.068 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSCc1coc(-c2ccccc2)n1 514451435 OWXRKBVVPMXCML-UHFFFAOYSA-N 471.557 6.127 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C[C@H](NC(N)=O)c3cccc(Oc4ccccc4)c3)s2)cc1 514978870 RLZLFALRJLSCNI-DEOSSOPVSA-N 497.580 5.136 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1Cl 517844466 MUGKVXQPWIJCJQ-GGBSJPMNSA-N 471.988 5.777 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 518139921 FECJMZOPLOVNAV-MRXNPFEDSA-N 469.563 5.131 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3ccccc3SCCC#N)c3cnn(C(C)C)c3n2)cc1 518649610 DMDFBXVYHOVZKU-UHFFFAOYSA-N 455.587 6.246 30 20 JKED Cc1ccc(CN2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)cc1 518668851 PUSUFGKOYWXSFV-QGZVFWFLSA-N 461.509 5.007 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 519063905 BDSDAWSTDJZYAY-UHFFFAOYSA-N 463.585 5.590 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Br)cs3)s2)c(C(F)(F)F)c1 519100671 WTYKZMBUXNWXQE-UHFFFAOYSA-N 472.311 5.701 30 20 JKED Cc1sc2ncnc(SCCC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2c1C 519485089 DHYXSFDZIRPMBI-CQSZACIVSA-N 451.404 5.478 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2Br)on1 520015499 IRZRZRFFIBFIIH-UHFFFAOYSA-N 472.364 5.389 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1 520782089 BINZPPLEVRDJPK-XMMPIXPASA-N 477.511 5.629 30 20 JKED CSCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nnc2ccccn12 521366818 SOMOGZAECHBFNQ-NRFANRHFSA-N 458.547 5.009 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 522424484 ZVLFJEFMDOEBMS-FQEVSTJZSA-N 483.572 5.490 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 523796233 DGYQLMLUFQMRRS-UHFFFAOYSA-N 472.564 5.091 30 20 JKED COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 579986739 DICJXIKWAPZAIO-AWEZNQCLSA-N 465.497 5.245 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1 588349084 UAMHCLHEWUSURL-MRXNPFEDSA-N 456.508 5.024 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 589725668 VFACSTBHBPWUQK-DEOSSOPVSA-N 493.007 5.134 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)N(CCC#N)CCC#N)o3)c3ccccc3n2)cc1 603597774 ZHXXEZMIBUVMBR-UHFFFAOYSA-N 482.569 5.008 30 20 JKED CC(C)C(=O)Nc1nc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cs1 603766314 RGQXCDWQKULDRH-IBGZPJMESA-N 452.967 5.228 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cn2)c1 603810079 YDQXNOSOWHPRDO-UHFFFAOYSA-N 467.485 5.263 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(OCc2ccccn2)c1 603829284 PVSVJHUJGGCHLN-LJQANCHMSA-N 465.513 5.602 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 608918799 XGLSZHZAASRTLP-LJQANCHMSA-N 458.537 5.631 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc(OC)c1OC 609007932 WXHQJACPRUMPJC-HXUWFJFHSA-N 452.894 5.153 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(-c4ccccn4)s3)s2)c(C(F)(F)F)c1 609011420 XFJDEDYOMBGQAM-UHFFFAOYSA-N 471.489 5.395 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(CN4CCSCC4)cc3)cc2F)c1 609105903 ZMEINUJRKAFBSD-UHFFFAOYSA-N 461.562 5.077 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C 609164120 HOUDKDODCRIVCP-RUZDIDTESA-N 493.998 6.642 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)O[C@H](C)C2 609326821 IMBUAZNILQBVLN-HNKPZJSLSA-N 455.514 5.210 30 20 JKED COc1ccc(-c2cc(CSCC(=O)Nc3ccccc3SC[C@@H](C)C#N)on2)cc1 609388682 CCWQGMWCMZMGPS-INIZCTEOSA-N 453.589 5.474 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc(F)ccc3I)cc2)c1 609427403 OTBBUGKHENJIKH-UHFFFAOYSA-N 458.230 5.347 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 609430648 SGZMCJMJSRZZJQ-CQSZACIVSA-N 484.375 5.941 30 20 JKED Cc1cccc(COc2ccc([C@@H](C)NC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c1 609439763 WZADPTWPVPYBAX-LEWJYISDSA-N 487.625 5.784 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)nnc1-c1ccoc1C 613907892 MVHZDTOKLPYGPM-UHFFFAOYSA-N 451.379 5.090 30 20 JKED C=CCn1c(SCC(=O)c2cc(Br)sc2Br)nnc1-c1ccccc1 614070114 TWLDIZDBUSRUMF-UHFFFAOYSA-N 499.253 5.693 30 20 JKED O=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542183 YEBWAYRZJNHERZ-GASCZTMLSA-N 464.381 5.999 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1 634698138 BGVFITULSIBZNT-UHFFFAOYSA-N 463.847 5.104 30 20 JKED N#C[C@@H](C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1nc(-c2ccccc2)cs1 642281849 UBRQBKCESUYVSZ-QFIPXVFZSA-N 462.534 5.058 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 642282270 ZCOUPYOYNPZUAV-INIZCTEOSA-N 471.460 5.989 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(C)nc21 725960527 OPWNFLRWOUIKAY-HOTGVXAUSA-N 479.606 5.097 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc(-c2ccccc2)cs1 726321754 MPCAUYYZZGRKKB-GOSISDBHSA-N 469.513 6.371 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nnc(-c4cc5ccccc5o4)o3)n2)cc1 726325623 SIZRTHHTWCDOCZ-SFHVURJKSA-N 470.510 5.424 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 726392286 GASUNWCSFHJGLH-HJPURHCSSA-N 497.567 5.503 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C2CC2)cc1Cl 726405105 BRLKKKLSBBSTTI-QFIPXVFZSA-N 474.973 5.488 30 20 JKED CCOC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)N=C1C 726570498 BNFKDDGWCDSJGO-UHFFFAOYSA-O 496.012 5.099 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 726716746 PJQLTTFVRKWJBX-AWEZNQCLSA-N 496.725 5.914 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 726755948 PFXIDWUJYCEIDU-UHFFFAOYSA-N 497.395 5.318 30 20 JKED COc1ccc(/C=C2/N=C(SC[C@H](C#N)CCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 726798373 SCKDUDUFLSDGAH-RSZPVBOMSA-N 482.512 5.217 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(Br)cn2)cs1 727263276 VCLRJXYOGQDYED-UHFFFAOYSA-N 484.301 5.450 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccccc2Cl)n1 727628764 YAIBNEBUFQSNEP-SFHVURJKSA-N 473.941 6.217 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3ccccc3C)cc2)cs1 727781418 NNCOMBDXFWFAQD-ATVHPVEESA-N 482.605 6.920 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCCCC#N 728779438 ZXBNHJBRQPPDRJ-HXUWFJFHSA-N 454.983 5.303 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCCCC#N)C1=O 728780441 TXXLQRWNRHQISA-HXUWFJFHSA-N 490.963 5.581 30 20 JKED Cc1csc([C@@](O)(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(F)(F)F)n1 729320454 XXVDOPKWKPGKFT-UTKZUKDTSA-N 479.911 5.539 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c1=S 729472575 QMIMRAGXFUMGCD-UHFFFAOYSA-N 496.036 5.205 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 731027953 CYEUKVOHWUJZIL-QGZVFWFLSA-N 462.550 5.380 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(-n2cccc2)sc2c1CCSC2 731067906 LKHXZSVYOXRIMP-MRXNPFEDSA-N 497.667 5.518 30 20 JKED CCOc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)c1 731305480 DDIHMWRZMZLAMC-QHCPKHFHSA-N 493.560 5.091 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c1 743526832 XAQQCLCJPNKKRR-NRFANRHFSA-N 484.528 5.039 30 20 JKED C=CCOc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc1OC 744762215 YKWKHZNLDJMLIC-UHFFFAOYSA-N 452.580 5.033 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2s1 744935700 FAOOGDRCOWLHEE-CYBMUJFWSA-N 467.403 5.472 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2F)n(Cc2ccccc2)c1=S 746050687 ZMCMHUHCAYXVDC-UHFFFAOYSA-N 487.604 5.246 30 20 JKED Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)s2)c(C)c1 747111588 FSGBRABJDFPAKL-OAQYLSRUSA-N 467.550 6.180 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 747336135 NPOPWHHFNPIWFR-UHFFFAOYSA-N 478.596 5.433 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1OCCCC#N 747473189 XZDZIPNJCSBXBN-DJKKODMXSA-N 479.410 6.090 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O)Nc1ccc2ccccc2c1 747603263 RDXRSRVRDMRGFU-JOCHJYFZSA-N 490.585 5.596 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 837371315 WKGXAEJBWGWIJM-UUOWRZLLSA-N 490.604 6.066 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@H](C)c1ccccn1 838534352 ITRREAVPIDSNET-DVECYGJZSA-N 488.613 5.429 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1cccs1 838536454 SLBLEPDAKIDKSN-QFIPXVFZSA-N 479.627 5.534 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840196963 BIADUFBXRCYGMY-XMMPIXPASA-N 456.571 5.416 30 20 JKED Cc1ccc(C(=O)N2CCSC2=Nc2cccc(Cl)c2C)cc1NC(=O)c1ccco1 893774443 OHTCMAZAPJVVJU-UHFFFAOYSA-N 453.951 5.679 30 20 JKED CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1Cl 915086332 TWZDSNAQBJVXKG-NRFANRHFSA-N 482.005 5.325 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1C 915179312 BZPTXNINUBMAQM-XMMPIXPASA-N 453.571 5.270 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 915354315 ZSYRSVDQZYSGTC-GMAHTHKFSA-N 452.583 6.363 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1 915750521 RBIVYMFYGCLNPJ-LITSAYRRSA-N 485.543 5.933 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1F 916210349 CFTULAUOCWKBBU-NRFANRHFSA-N 469.488 5.264 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 916210392 DGESLQHKPUPBNN-HXUWFJFHSA-N 468.941 5.035 30 20 JKED CCOc1cccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1OC(F)F 916273300 WSOFTMAXBCBAER-UHFFFAOYSA-N 489.931 5.969 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916932336 SQTDDQZQPNRSBO-LJQANCHMSA-N 475.335 5.807 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916943496 YMMWDUBYEVQMOO-GOSISDBHSA-N 458.370 5.624 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 917041447 RTMYXJKAIRAPKG-QGZVFWFLSA-N 451.502 5.203 30 20 JKED CC(C)Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)cc1 917612455 RNGJGBNUQJMVBC-UHFFFAOYSA-O 468.646 6.246 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)s1 917612516 WARIGLBGVSRWJW-UHFFFAOYSA-O 468.627 6.130 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C/c2cccc(NC(=O)c3ccccc3Cl)c2)SC1=S 917644979 PRAYGOQKJQGRNO-BKUYFWCQSA-N 475.982 5.870 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc2ccccc12 917652578 OTAXEJLHCBCHTC-DEOSSOPVSA-N 489.597 5.039 30 20 JKED Cc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C#N 917702294 FIXIDYQODLAJLD-HSZRJFAPSA-N 490.535 5.305 30 20 JKED CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cnc(-c2ccccc2)nc1 917962891 VOTANBKDCSNGMX-RUZDIDTESA-N 480.593 5.780 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1csc(COc2ccccc2)n1 918709756 VCQATEIIPZOVLP-UHFFFAOYSA-N 493.013 6.005 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(OC)c1 918711702 XAGDVKHTOUTSBI-UHFFFAOYSA-N 491.520 5.276 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccccc1Cc1ccccc1 919514268 QNKXJWKUAUZSIW-HXUWFJFHSA-N 480.520 5.505 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cc1csc(-c2cc(Br)cs2)n1 920104417 QTCYHVSNFRVCCH-HNNXBMFYSA-N 484.400 5.558 30 20 JKED Cc1ccccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140358 FJPFOCVYLQHTAC-LJQANCHMSA-N 455.568 5.144 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cn4c(Cl)cccc4n3)cc2)CCC1 1788941280 OXLKDLDPYTUVMJ-FQEVSTJZSA-N 462.981 5.504 30 20 JKED Cc1cccc(C)c1SCC(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789577779 HEZBMNWRLVRUFW-LQKURTRISA-N 475.614 5.242 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(NC(C)=O)cc3)CCC2)cc1 1789626525 UJKRQWVUWGDITN-UHFFFAOYSA-N 461.606 5.314 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)[nH]4)cc3)CCC2)c1 1789676817 WZXYBTQBPYQAFU-INIZCTEOSA-N 480.490 5.722 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)c1 1790073160 ORJIZDAJUBZGMH-UHFFFAOYSA-N 494.473 5.042 30 20 JKED COc1ccc2c(CC(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)c[nH]c2c1 1790286735 DUONBULFQKSQJG-UHFFFAOYSA-N 478.552 5.039 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3C)CCC2)cc1 1790469572 GYGXOBZVCRQZCF-QHCPKHFHSA-N 493.604 5.033 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5cc(C)[nH]c45)CCC3)cc2)c(C#N)c1 1790472997 GXWNVZCWMMSTLB-UHFFFAOYSA-N 492.579 5.347 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCCC4(F)F)CCC3)cc2)c(C#N)c1 1790473104 TWHCRQBZXMKKLK-SANMLTNESA-N 499.533 5.161 30 20 JKED Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)c5n[nH]c6ccc(C#N)cc56)cc4)CCC3)c2[nH]1 1790835055 JGCOVUWTNUNDKD-UHFFFAOYSA-N 488.551 5.286 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1791244168 OHTCQTIWXOVBAI-AVRDEDQJSA-N 469.626 5.026 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)CCC2)cc1 1791298551 AHHWNFPBLMFHBN-UHFFFAOYSA-N 459.443 5.405 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccnc(OCC(C)C)c3)CCC2)cc1 1791299358 DHWLTIYESGHLFD-UHFFFAOYSA-N 457.521 5.076 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C(F)(F)F)CCC3)cc2)c1 1792122660 PRHUIDWFRXGTNB-OAHLLOKOSA-N 498.530 5.850 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ncccc45)CCC3)cc2)c1 1792123923 HXZUOQLQEDUFAH-FQEVSTJZSA-N 491.595 5.570 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnoc4C4CC4)CCC3)cc2)cc1C#N 1792168308 LTYUFFVZHSEEQR-UHFFFAOYSA-N 484.556 5.272 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Br)cc2)CCCC1 1797848110 VUXYDUGIQKSMMD-NUNAXRQHSA-N 485.466 5.093 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc1C#N 1797879318 PKCFGJVANKFQAT-MKUIQDRRSA-N 477.649 5.204 30 20 JKED CC[C@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)cc1Cl)c1ccccc1 1800688304 AQVVISWZYNFCEX-JKEOVDNKSA-N 464.009 5.293 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1801695188 UOMCIZIIPGQYCY-WKCHPHFGSA-N 475.539 5.365 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccc(Cl)cc4[nH]3)[C@H]2c2cccnc2)c1 1802378651 MAARBZRXDOOJSC-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)[C@@H]1c1cccnc1 1802492870 RECJRSZBRLSFIT-NTKDMRAZSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@H]1c1cccnc1 1802502380 IHEHIYQEXZRVHD-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1OCc1ccccc1)C2 1802629477 JEZFYYNJCYEYCX-NUNAXRQHSA-N 479.020 5.364 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1802944576 ZKAZHQSUKNFKJF-LBNVMWSVSA-N 484.644 5.261 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)[C@H]1c1cccnc1 1803078362 ASCQTVMAIHIHEK-UIOOFZCWSA-N 459.634 5.125 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)c(F)c(Cl)c2)cc(C(F)(F)F)c1 1803807908 HAOLRINXRBBQQZ-BJWYYQGGSA-N 497.851 5.074 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4c[nH]c5cccc(Cl)c45)CC3)C2)c1 1805328485 YFAWQAGMVDAVFC-UHFFFAOYSA-N 489.019 5.171 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@@H]1c1cccnc1 1809201287 AHGHAESHFMJMSW-KOSHJBKYSA-N 480.559 5.153 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@H]1c1cccnc1 1809494639 AZLSPHQKEBUCPB-JROWUHHQSA-N 498.627 5.059 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(F)c2)[C@@H]1c1cccnc1)c1ccccc1 1810443799 MDGWMPQAQUYWMW-SAAIGDAKSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1810500514 RLOXEDRMSAANJG-NZQKXSOJSA-N 479.621 5.747 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1810503552 QIUAWUADQFJATJ-DENIHFKCSA-N 457.977 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cc(OC)cc2C)[C@H]1c1cccnc1 1810504061 VVAFEAGLTDOAFF-DHLKQENFSA-N 463.622 5.019 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1811748940 GHGMPYPZOUOMRB-NVQXNPDNSA-N 493.051 5.533 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1811886951 AFJVGNCJSPNBGC-WNQFUHBBSA-N 480.612 5.103 30 20 JKED CC(C)c1ccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1811954610 LBOHTNUGLKXTNJ-IAPPQJPRSA-N 489.736 5.576 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1812668045 PKFGBQPAUWIQMV-HTAPYJJXSA-N 486.950 5.056 30 20 JKED CC1(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CCCCC1 1813001500 CNUBJWTUTIEHKA-ILBGXUMGSA-N 467.730 5.109 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1813988400 MKGWYYQEVGLKCL-SHQCIBLASA-N 491.607 5.098 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1814569814 JEWVUEXFBPWLDI-JOCHJYFZSA-N 477.515 5.211 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(F)c(F)c2)n[nH]1 1814660912 DCFMZVVSBNBRKR-GCJKJVERSA-N 456.537 5.081 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1815245797 ULGDHEQDVWVXRO-NQIIRXRSSA-N 481.647 5.137 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)c2[nH]1 1818651399 BWNLKEANBAPVRS-NRFANRHFSA-N 486.963 5.344 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C(C)C)nn3ccccc23)[nH]n1 1819305824 ONBAJLARJVFDOG-TZIWHRDSSA-N 474.609 5.255 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)[nH]n1 1819309943 LQEAEWVTVSCDKS-JXFKEZNVSA-N 488.991 5.214 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c1Cl 1820906153 OCGUXYRBSBESKJ-JNCYCUAHSA-N 465.985 5.377 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820964731 UQQSSGZMKSQTKN-XXBNENTESA-N 494.702 5.039 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)c1 1821273482 MASVCWGBNNKQOG-HXUWFJFHSA-N 485.441 5.059 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1F 1821274808 OFJRRFODUWVTIX-HXUWFJFHSA-N 465.916 5.002 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)n1 1821278675 QOZJNMRZNBTYCQ-LJQANCHMSA-N 482.997 5.134 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1)c1ccc(O)cc1 1822466753 APNJEBVVDGMDCC-OTNCWRBYSA-N 474.605 5.051 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2C)[nH]n1 1822581217 GXLGELZATOGSBC-FQEVSTJZSA-N 489.389 5.119 30 20 JKED Cc1ccc(/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)s1 1822738499 TXDHRMQCMZQZML-LXLPNVGGSA-N 473.602 5.426 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823212516 VEIOTOJZMDMENR-JXQFQVJHSA-N 487.629 5.523 30 20 JKED COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)[nH]c2c1 1823215516 TZGCHHDXQZQYKS-SSOJOUAXSA-N 496.571 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)[nH]n2)c1 1823216393 JAMYPUDKQRIACX-KSFYIVLOSA-N 493.514 5.258 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2ccccc2C#N)n[nH]1)c1ccccc1 1823386259 AVHLKJULAMNROL-WQHXYCOISA-N 499.615 5.182 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 1823754040 WFWHHIWYFZDIJT-HXUWFJFHSA-N 465.560 5.326 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2OC)CC1 1824145414 HBJGONMTYDEIRV-QFIPXVFZSA-N 459.030 5.350 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)c(OC)cc(OC)c2F)CC1 1826772074 NKXDXMWTWNYZCD-LJQANCHMSA-N 492.607 5.208 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccnn4C)c(Cl)s3)CC2)C1 1827362781 JLGSDVBOWPBBTA-FQEVSTJZSA-N 487.069 5.002 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)CC1)c1ccc(O)cc1 1827985776 CSZLIQGMZBDQIP-FYYLOGMGSA-N 483.008 5.069 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)c1 1827986995 LHRCFFDVJDLRAE-UWJYYQICSA-N 453.970 5.107 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1828295522 OLSNBRSYGGMCQS-RUZDIDTESA-N 474.992 5.240 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1828419794 RFGDLVADSXZLNZ-DHLKQENFSA-N 475.555 5.018 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)cc2c1 1828524414 LTIOCLGQVGLEPW-AREMUKBSSA-N 499.611 5.179 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)c1 1828606298 IOMNSKOVBUZYEW-QHCPKHFHSA-N 493.579 5.598 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2SCC)CC1 1828825058 SICLDPKAEDWCOU-GMAHTHKFSA-N 455.668 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn3c(Cl)cccc3n2)CC1 1829066549 IVESGORYAHGBJP-OAQYLSRUSA-N 471.045 5.213 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1829287550 HFLUMDNTRYNNQO-MHZLTWQESA-N 496.611 5.079 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3)CC2)cc1C#N 1829966993 VSRYHLYWFQFBST-VWLOTQADSA-N 477.580 5.032 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3F)CC2)c1Cl 1830082629 AVVCOSZVDUWPQX-NRFANRHFSA-N 471.935 5.037 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)CC1 1830591019 QEVHDABEHSDOKL-HHHXNRCGSA-N 463.666 5.104 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1C 1830769959 GPCCACFHZOINIL-AREMUKBSSA-N 473.617 5.039 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(F)(F)c2ccco2)CC1 1831144574 WFJVLMGEVXJWJQ-NRFANRHFSA-N 478.656 5.042 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)Oc1ccccc1 1831232797 YEYROAVJZOAQOE-NLFFAJNJSA-N 494.035 5.303 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sccc3c2O)CC1 1831447423 SCZUNACIVRKNDP-IBGZPJMESA-N 462.562 5.052 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1832028677 UUWNNAUUSOVPNX-QHCPKHFHSA-N 479.587 5.515 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1832030401 MGWNBSMRUFCLCN-XMMPIXPASA-N 487.566 5.614 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)CCC1 1832785488 BRGMKHHKOABWEN-NRFANRHFSA-N 453.970 5.013 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)CC1 1836881780 OLDSDYQDIXYYQG-NRFANRHFSA-N 495.110 5.121 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 1838423940 UNXASXSKARMLKI-UHFFFAOYSA-N 481.464 5.598 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)C1 1845494806 MHPSRNPQDWZOIH-HXUWFJFHSA-N 483.653 5.082 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1C 10167798 ZPGXWUMCGOFDOV-UHFFFAOYSA-O 451.615 6.233 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10172400 MCVICEZQMWFDKB-UHFFFAOYSA-O 489.567 6.658 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2cccc(Br)c2)cc1 11084422 RSVJQGCTKOKYGY-UHFFFAOYSA-O 474.831 6.003 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)sc2c1CCCC2 11684040 UJFZBMVCPMFVQE-OAHLLOKOSA-N 499.687 5.118 30 20 JKED CCOC(=O)c1sc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(C#N)c1C 14596655 WVVSNCPDQKTGIY-FQEVSTJZSA-N 495.988 5.258 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc3c(c2)CCCC3)cc1C 15247686 DFQVNSCURDQKSD-UHFFFAOYSA-O 494.478 6.283 30 20 JKED C[C@@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16824979 HFQHYKQKKCAZHF-GCZGRYASSA-N 451.573 5.082 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccc(F)cc1 17704937 PLFJZRZRTPCHDA-HSZRJFAPSA-N 478.618 5.638 30 20 JKED O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)Nc1ccccc1-c1ccccc1 20818944 PGACEIYGJQRUFX-CCEZHUSRSA-N 468.431 5.206 30 20 JKED COc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730857 FSTTUDMHFBNXBI-UHFFFAOYSA-O 467.614 5.302 30 20 JKED COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)n1 26034261 RINUVDZFZSHBPU-MRXNPFEDSA-N 481.990 5.226 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)c1C 28793391 ZICRJYULPRMQMS-UHFFFAOYSA-O 477.654 5.362 30 20 JKED Cc1occc1C(=O)Nc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 107546659 YVBFKUUBDKKONN-UHFFFAOYSA-N 474.332 6.269 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2nnc(SCc3cccs3)s2)c1 109052631 GBMPHVZKTHWLRZ-UHFFFAOYSA-N 464.597 5.595 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc21 255932734 MDQXZXSGHTWPKW-UHFFFAOYSA-N 463.566 5.778 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)nc(O)c2c1C 303382349 MVUVFHKKKTWDTM-FZMZJTMJSA-N 481.430 5.323 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 499873802 UPSGOVXRIVIFBK-UHFFFAOYSA-N 455.514 5.966 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)CC2)c1 502659381 BSBXNKOZKWGNHZ-UHFFFAOYSA-N 480.874 5.035 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)ccc21 503530492 HETSHDAISMINHY-SFHVURJKSA-N 465.525 5.796 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 506501858 YWYOGMIZWXWSLE-UHFFFAOYSA-N 457.549 5.568 30 20 JKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510024029 PKLAKSNIBZNMTN-QFIPXVFZSA-N 463.965 6.067 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510692502 DUALGKYRQPXUFH-UHFFFAOYSA-N 469.520 5.976 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cc12 513173108 XPYVTWNVGBWXCB-QGZVFWFLSA-N 458.440 5.498 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1nc2ccccc2s1 513682024 NLODNGNBIPSQEU-LJQANCHMSA-N 463.628 5.575 30 20 JKED C=CCn1c(S[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccc(Cl)cc1 514985812 LUEXTPKOUWGNLH-IRLDBZIGSA-N 483.037 5.541 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2Cl)cc1 515711137 GYKWVUQNWGBCGT-UHFFFAOYSA-N 450.907 5.687 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Br)s2)cc1Cl 515881654 CPMFAXMHMJFEEB-KRWDZBQOSA-N 488.794 5.074 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3c(Cl)cccc32)cc1Cl 516730291 BMXDGLOQEDGKIU-NFBKMPQASA-N 464.352 5.391 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1C 519057647 GZTQXVDWGJYXJL-UHFFFAOYSA-N 489.597 5.007 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C 520197315 CFRDORRKQQMWET-LRDNONRASA-N 476.465 6.448 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(Br)cc1Br 520813470 IJVRIOJJIGISMN-GFCCVEGCSA-N 484.213 5.481 30 20 JKED Cc1nc(-c2ccco2)ccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 523869339 XZYZGTMVVUWFQX-UHFFFAOYSA-N 468.460 5.840 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1C 524052929 ZWVOEFYQJGFQDO-HSZRJFAPSA-N 483.399 5.601 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1 524141409 MRRMNDVQMVMVAM-MHZLTWQESA-N 455.558 5.288 30 20 JKED O=C(COc1ccccc1OCC(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 589857319 RCRNTMXNOOTTLC-QWRGUYRKSA-N 467.328 5.032 30 20 JKED COc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 594664675 CKSGZPCIDJPWHW-OAHLLOKOSA-N 481.647 5.091 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1ccc(OC(F)F)cc1 595869271 IVEBDEOCGQCBOC-AWEZNQCLSA-N 493.417 5.296 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2sc3c(c2C#N)CCCC3)c1 600841764 ONQDMFZCVYAPKM-UHFFFAOYSA-N 484.581 5.621 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)s1 603449416 ZQPPQLHQOJQAQU-UHFFFAOYSA-N 469.642 5.377 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 603702744 QGWHWFSFAGPNIG-VWLOTQADSA-N 496.954 5.552 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 603754906 IHNDAJHOAUFJOZ-UHFFFAOYSA-N 466.335 5.218 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)o1 603952788 AHUOPBQPDPGSBL-UHFFFAOYSA-N 452.470 5.627 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 604291623 BKMCRHURVNHSRM-GOSISDBHSA-N 473.872 6.087 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4ccc(Cl)s4)n3)cn2)cc1 604395199 FQCAFEFOEKRSSD-UHFFFAOYSA-N 452.948 5.765 30 20 JKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 604444051 QFMVXVWFRPIXQT-UHFFFAOYSA-N 480.619 5.008 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(OCc4ccccn4)cc3)cc2)cc1 604460627 LUBBVIXMJSPHKT-UHFFFAOYSA-N 450.498 5.646 30 20 JKED COc1cc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 604532162 BTMYAISGBCIXOP-GDNZZTSVSA-N 498.342 5.544 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3SCC(F)(F)F)CC2)c1 604537255 BZCNEEWSUKKMAQ-UHFFFAOYSA-N 462.497 5.095 30 20 JKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)n2)n1 608876432 LWNSBHKEFDYYNT-UHFFFAOYSA-N 458.909 5.157 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 608952842 KIFGBLNJPYJQGJ-XMMPIXPASA-N 464.013 5.112 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F 609012917 QIARZGBPHPBJPX-NRFANRHFSA-N 494.473 5.457 30 20 JKED Cc1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cccc1-c1nnc2n1CCCCC2 609057844 XSUAFWPNJZZHLY-UHFFFAOYSA-N 467.529 5.276 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1OC 609062509 SSYJWGMKBSQXCE-UHFFFAOYSA-N 480.948 5.388 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(C(F)(F)F)c1 609089522 OXJDZUSZNBCCJH-QGZVFWFLSA-N 469.410 5.021 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 609148574 MKNDHLDXKFZOFQ-KRWDZBQOSA-N 460.559 5.062 30 20 JKED N#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(OCc2ccccc2)cc1 609173828 YAILCGBGRRBAGN-XMMPIXPASA-N 455.489 5.373 30 20 JKED Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2ncccc2c1 609379097 RQNAXSZGGJPVCH-UHFFFAOYSA-N 451.495 5.369 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 609384690 HWFNQOTXVCUEGO-LPHOPBHVSA-N 450.589 5.383 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(Cl)cc1 609403197 CEWZJUACMOJQLS-UHFFFAOYSA-N 483.943 5.397 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccccc1C 613427627 VFDMQELDOMEMLP-QZTJIDSGSA-N 471.026 5.363 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(CC)cc2)c2cccs2)nnc1-c1ccncc1 613905222 GXSTYTOJCGFKLS-QHCPKHFHSA-N 475.643 5.148 30 20 JKED C=CCn1c(Sc2ccc([N+](=O)[O-])c3cnccc23)nnc1-c1ccc(Br)cc1 619685373 HHINVYBARRTJIN-UHFFFAOYSA-N 468.336 5.501 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 726392802 IDJIRYUXEZDJCJ-KXBFYZLASA-N 479.524 5.091 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C(F)(F)F)c1 726393096 LMMFUGXJPQUPLO-JXFKEZNVSA-N 493.551 5.399 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)cc1Cl 726406475 KLUISMSXDNWAQP-FQEVSTJZSA-N 499.379 5.619 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N\[C@@H](C)c1cccs1 726420474 LTLZLQDGLFRRQB-SHZNUGFISA-N 481.643 5.328 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(C3CC3)C2=O)cc1 726420932 KEYBEVZDHCQCCF-PRLFLVJASA-N 457.621 5.089 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cn2)cc1 726696223 MXJCDEAQRFRCON-UHFFFAOYSA-N 479.487 5.137 30 20 JKED Cc1c(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccnc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727266609 AWRPXLYGVTZJJE-KHPPLWFESA-N 469.457 5.264 30 20 JKED Cc1ccccc1-c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1 727626943 JIFNPZKHZRLMGI-FQEVSTJZSA-N 453.523 5.872 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)s2)cc1 728063392 BBZKAIZEDASHCX-FQEVSTJZSA-N 456.493 5.993 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c1 728182137 XTEIZNKPAIJGQY-UHFFFAOYSA-N 477.636 5.205 30 20 JKED Cc1cc2nc(-c3ccccc3)cc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c2cc1C 728475166 LEXNZUVTXDKJHU-UHFFFAOYSA-N 461.569 5.184 30 20 JKED COc1cc(C(=O)N[C@H](C#N)c2cccc(OC)c2OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 729428751 XSMJVYOWDZEPBZ-QGZVFWFLSA-N 497.891 5.061 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 731069571 ISTBZTAXGDJUJA-SIFUEBAJSA-N 465.962 5.478 30 20 JKED Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731069596 BVMGECNISUTABW-HNNXBMFYSA-N 451.573 5.166 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 731075075 UYAKCKLFQJVIEK-CYBMUJFWSA-N 477.464 5.256 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 745277493 PBEGSIVTCSUGEV-MHZLTWQESA-N 477.612 5.635 30 20 JKED COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 746686848 NNUYTJPQOVXPCZ-YWEYNIOJSA-N 471.916 5.179 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2cccc(O)c2)C=C1 749656240 DMINVUAGPBHSMB-UHFFFAOYSA-O 479.578 5.051 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1 750396580 BCNCVTWJALPKTE-DOTOQJQBSA-N 480.544 5.629 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CC(F)(F)F)C2=O)cc1 799218809 GPSDLANFWXCRHZ-KRWDZBQOSA-N 483.899 5.065 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(CC)c(Cl)cc23)nnc1[C@@H]1COc2ccccc2O1 825111965 VLYVVVHTZQJSDR-QFIPXVFZSA-N 495.988 5.591 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 837520547 MYPKHLNNIVOUQL-IERDGZPVSA-N 464.978 5.457 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 837785223 UOPPKDZVNXOJAL-YCRPNKLZSA-N 482.968 5.596 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837871739 JLDLCUUPZORVGP-DVECYGJZSA-N 488.613 5.510 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)c(Cl)c2)cc1 914543253 HKVYXSGEBFWLGQ-NRFANRHFSA-N 490.000 5.067 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)Cc2ccco2)c1 914690868 ICQPOYIJPJVNPP-CYFREDJKSA-N 491.613 5.497 30 20 JKED C[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)NC(=O)c1ccccc1 915102835 IOEGQCBLCMSCSZ-SUMWQHHRSA-N 458.370 5.502 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1Cl 916209617 OZGQZZBKPQSEBQ-NRFANRHFSA-N 467.978 5.100 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccco3)C2=O)c(OC)c1 916212795 YPHHHVVZAMOPSH-QHCPKHFHSA-N 493.585 5.074 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 916213268 CKHSSBKLOAGOPH-VQIMIIECSA-N 478.401 5.133 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2sc(Nc3ccc(C)cc3)nc2Cl)cc1OC 916326348 ORIJPYGSRFXCHS-UHFFFAOYSA-N 487.010 5.295 30 20 JKED COc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1NC(=O)OC(C)(C)C 916431859 PITZAPRSLJWFHM-UHFFFAOYSA-N 475.570 6.317 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)nc2ccccc21 916845164 PCCCNSCMXCQVDI-CVDCTZTESA-N 460.331 5.332 30 20 JKED Cc1cc(C)c(N2C[C@H](C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)CC2=O)c(C)c1 916909046 OUEPWXMSFFBFKC-FYYLOGMGSA-N 481.552 5.105 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 916925039 FRDDCSPUXQDRSC-GOSISDBHSA-N 478.961 5.409 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)n1 916928563 NVCHURZZHXBILC-MRXNPFEDSA-N 476.410 6.012 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916936468 LMGLVBCRMBABKJ-HXUWFJFHSA-N 462.864 5.765 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1C 916975344 XZLMEACVJMJTHZ-FQEVSTJZSA-N 473.627 5.674 30 20 JKED N#C[C@H](C(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995704 FZTAUDXRPKDJKJ-OAHLLOKOSA-N 495.347 5.449 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1cccc(C)c1 917045908 CKPGSCFBJCMQCF-MRXNPFEDSA-N 468.007 5.505 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)c1 917430189 GOURRUDGGNFWIH-YJBOKZPZSA-N 486.519 5.744 30 20 JKED N#Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c(C(F)(F)F)c1 918534116 HDEWEVOSHRDHQD-UHFFFAOYSA-N 497.454 5.018 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1C 918995819 JUHCWVAEUZBJNV-UHFFFAOYSA-N 470.529 5.051 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 919186770 KDHAATIDFVZTST-UHFFFAOYSA-N 488.544 5.221 30 20 JKED CNC(=O)c1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C2CC2)cc1 919915312 DTRUGHNXHZOVHO-UHFFFAOYSA-N 454.530 5.215 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 920018206 VYBCIOFKXVKOEG-UHFFFAOYSA-N 498.004 5.595 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 920139402 SYGMAEXENHGPKJ-ZEQRLZLVSA-N 481.577 5.556 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nncn3-c3cccc(Cl)c3)n2)cc1 920140849 CLUGHEJEXXFXIX-SFHVURJKSA-N 481.990 5.021 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)c2c1C 920267386 HDUOOPQQIWICGI-HNNXBMFYSA-N 451.602 5.185 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)n1 920326964 MPLFKWOSNVRWGB-FXAWDEMLSA-N 485.359 5.079 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3c(C)noc3C)C2=O)c1 920352537 OIDDKSSMSJINDF-QFIPXVFZSA-N 492.601 5.077 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2cc(C)on2)C1=O 920353901 WFULNSYSGXRPRF-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1c(C(=O)/C=C\c2ccccc2OCc2ccccn2)nnn1-c1cccc(Br)c1 920389662 RNZVTLKEXCMQNM-SEYXRHQNSA-N 475.346 5.208 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCC3)cc2)C1 1785810653 ZNZGPKVWJYNAKC-JOCHJYFZSA-N 469.626 5.026 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OCC)CCC2)cc1 1786374317 PUBCLNQVTJIFAZ-QGZVFWFLSA-N 456.970 5.078 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)COc3cccc(Cl)c3)CCC2)cc1 1788649642 SWDXSDCDDKJITL-VAWYXSNFSA-N 495.000 5.354 30 20 JKED CCOc1ccccc1C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788650097 XSUQYPORYRQWNI-CCEZHUSRSA-N 474.582 5.334 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)C34CCC(NC(=O)OC(C)(C)C)(CC3)CC4)cc2)CCC1 1789216561 URGCUARDPKBZEP-UHFFFAOYSA-N 493.648 5.152 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1)c1ccccc1 1789600145 CICRDQZMEWHFLU-RLBBTWETSA-N 467.569 5.030 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)CCC1 1789687138 ZYAOSNDILQGOMX-KRWDZBQOSA-N 496.858 5.200 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)CCC3)cc2)cc1 1790290252 OJELHAHNJXOSTC-DSITVLBTSA-N 465.578 5.194 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cccc4cc(Br)cnc34)cc2)CCC1 1790964541 WUSMHGXHNJHVCY-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)CCC2)cc1 1791727573 YUAMNAUYKIUHKY-UHFFFAOYSA-N 470.573 5.027 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204084 JSTHTJFTQXZLBS-XMMPIXPASA-N 491.632 5.223 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(-c4ccccc4)ccn3n1)C2 1793049213 URFFBJPGXSPGBD-QEIWAGNOSA-N 468.601 5.022 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccccc1C(F)(F)F)c1ccccc1 1795633521 LCJYTZYDIFRZKA-KIHHCIJBSA-N 482.546 5.083 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CC)cc1 1796871883 ZTSXVTAWIADCQI-HYOIWIKGSA-N 497.680 5.055 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncccc1-c1ccccc1)c1ccccc1 1797122563 ISPHDLMGAOADJW-RVUATISTSA-N 477.608 5.198 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2csc(-c3ccccc3)n2)c1 1797179561 CDAPKUZGMOFQTD-QMZRJTEUSA-N 470.598 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2 1798337825 IIDGXVJXKKHQBM-CIAFKFPVSA-N 457.574 5.448 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@@H]2c2cccnc2)C1 1802405819 GFQCSPQLOCQQOO-ZZKVGJHZSA-N 492.063 5.681 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CC[C@@H]3CNc4ccccc4C3)CC2)C1 1804859209 HISNLSVBZAZDTP-QHCPKHFHSA-N 465.682 5.275 30 20 JKED Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)C2)cc1Cl 1805084443 GJALMFXRNPQEPD-UHFFFAOYSA-N 470.400 5.332 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4c[nH]c(-c5ccc(F)cc5)c4)CC3)C2)c1 1805323579 XLEHCIMCLQIBQC-UHFFFAOYSA-N 498.602 5.170 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1805696610 DZQKTIQHQIWAQP-SBHAEUEKSA-N 475.511 5.090 30 20 JKED Cc1cc(F)c(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1F 1810276057 CCJROPBOKSBCCQ-HFZDXXHNSA-N 497.662 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1810501968 GGCHUUGVBDTZQP-AJTFRIOCSA-N 495.623 6.293 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810502708 LBDWYGJXAYVREU-HTAPYJJXSA-N 475.967 5.325 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)cc1 1811365083 NOWRMPXFDOGZQF-QPPBQGQZSA-N 493.394 5.088 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c1Cl 1811419527 HXFIGZFGKCTORR-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811720458 CUELGCAMWVWIQM-FUFSCUOVSA-N 481.596 5.387 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@@H]1c1cccnc1 1813227368 COEVUNRFWKIORH-SQJMNOBHSA-N 497.561 5.032 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cncc2Cl)n[nH]1 1814364342 IWNABSDZDPFCQU-QGZVFWFLSA-N 464.397 5.410 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1814744154 YZZICBFWCIFBGP-QHCPKHFHSA-N 489.938 5.041 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1815207334 FQEWCRHTAGCPMN-HSZRJFAPSA-N 496.011 5.208 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)[nH]n1 1815209508 IZZUILQCBZZBPE-NRFANRHFSA-N 493.435 5.324 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1815243139 LXZQFZRNPNOWQT-HKUYNNGSSA-N 485.576 5.071 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cc[nH]c34)n[nH]2)cc1C#N 1818773192 FBCGTAAGOQYUQF-QHCPKHFHSA-N 496.571 5.170 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)cc12 1819053123 ZSVABOPZTVDXEJ-VWLOTQADSA-N 480.572 5.010 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1819479492 XGHFUWGBJARODF-OJANRJRPSA-N 499.546 5.234 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)c2ccccc12 1819481446 QAGIIBPOXDARET-ULPGGUMISA-N 497.599 5.208 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCCn3cccc3)n[nH]2)c1 1819526374 DHLHFVQOAKRNGE-HYBUGGRVSA-N 472.593 5.015 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c1 1821041955 DZWBMKIEJVBDPU-OYHNWAKOSA-N 479.943 5.449 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4c(Cl)ccnc4c3)n[nH]2)cc1 1821383997 DYCUNWCIYWIKFX-XMMPIXPASA-N 498.974 5.297 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821609868 NUCFXZLNHIJKAX-AZUAARDMSA-N 493.589 5.607 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2Br)n[nH]1 1821870846 YMDBJLIUCWINNE-KUHUBIRLSA-N 493.833 5.273 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1822393381 TYRNMUKTGNGHLF-CVDCTZTESA-N 492.023 5.460 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCCCCCC(=O)OC)[nH]n1 1822397198 JBFZQDOIOVLIAQ-QHCPKHFHSA-N 486.657 5.279 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c(Cl)ccc(OC)c2F)n[nH]1 1822492960 LBPWYBBRYMAJOO-IBGZPJMESA-N 491.007 5.438 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)[nH]n2)c1 1823210881 JQMCDEQCXSVWCA-HJPURHCSSA-N 493.970 5.378 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)[nH]n2)c1 1823211204 LIVYLIGHUCXMRY-WAIKUNEKSA-N 493.970 5.378 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(OC)c2)CC1 1824144820 IGAPHYZXXGBQCN-ZUSJUXBOSA-N 450.623 5.097 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)cc1 1824875138 BTXRRMNSFJXSJX-SANMLTNESA-N 496.026 5.146 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1)C(F)(F)F 1825437787 WQAJJXHIHJKOIK-HSZRJFAPSA-N 489.538 5.042 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1cccs1 1827680292 QUESJVPASOFSIE-NADMHLTPSA-N 477.051 5.135 30 20 JKED Cc1cccc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)[nH]c12 1827696880 HNXFTJIFZOHMMD-UZLBHIALSA-N 483.597 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)CC1 1827721050 ZVLHMKFWPVPDAO-XMMPIXPASA-N 478.662 5.207 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827854391 JTDRYUCDAGDYKB-OAQYLSRUSA-N 466.544 5.609 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1)C(F)(F)F 1828168508 BWSZJNPWDZKGDF-HSZRJFAPSA-N 487.566 5.258 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1828779479 ZTHUQXMDXGDDOA-WMZHIEFXSA-N 481.687 5.228 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)c1 1828906707 CIKUTZYESFLBIT-AREMUKBSSA-N 482.741 5.288 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c(C)c2C(=O)OCC)CC1 1829068164 IVRYVJJQTWXAFU-DEOSSOPVSA-N 499.696 5.045 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)c1 1829676758 PBVLDOIINIHXTN-AREMUKBSSA-N 479.665 5.407 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)c1 1829679248 JKKRCSRNPFZRDH-VWLOTQADSA-N 491.632 5.313 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccsc3)CC2)c1Cl 1829688032 OQSZLXZCLKHKSV-DORXLWPQSA-N 468.022 5.220 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1 1830017484 XKJLDCAXCCGGCS-MHZLTWQESA-N 457.618 5.158 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)CC1 1830110818 LRHGDIKLRMFSNU-QHCPKHFHSA-N 459.030 5.350 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)CC1 1830292495 SPDWBHSTOOBSGN-HHHXNRCGSA-N 477.624 5.305 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Br)c3)CC2)C1 1830557698 SXVCGIBSWJGWRZ-OAQYLSRUSA-N 479.846 5.302 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830606636 RUJLZCQMPQRAEL-FQEVSTJZSA-N 468.972 5.183 30 20 JKED Cc1snc2sc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)cc12 1830629327 XBMYIIAURDQFAZ-JOCHJYFZSA-N 492.670 5.279 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721535 HZRBDSCRTHWOFZ-RUZDIDTESA-N 498.143 5.496 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1830741872 JHPJYPQBZVYAQW-KNQAVFIVSA-N 492.582 5.504 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)cc(C(F)(F)F)c1 1830756810 XIYWLVSTQHUYER-JOCHJYFZSA-N 493.545 5.483 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830872841 JZWZLJRBXHZNOI-RUZDIDTESA-N 484.040 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c1 1830910599 KCWZBKQAEOHLTG-IBVKSMDESA-N 469.585 5.607 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1831370400 KIGHOMMGGYKGGM-QFQXNSOFSA-N 475.633 5.203 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1)C(F)(F)F 1831453982 QSQOTPBCTYKMRR-QFIPXVFZSA-N 499.533 5.780 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1831860620 UVPFBWBKIWKBBH-JOCHJYFZSA-N 469.423 5.412 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)Cc3ccco3)CC2)cc1C#N 1832283525 GBJKCOWEZSMSFB-RLWLMLJZSA-N 491.632 5.051 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699141 SZLNFCGHDMXYRB-AREMUKBSSA-N 462.659 5.506 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C(C)(C)C)s3)CC2)CC1 1835228626 NGRMAOHZGZZDBO-UHFFFAOYSA-N 473.727 5.223 30 20 JKED C=C1CC(C(=O)N2CCCC23CN(C(=O)[C@H](c2ccc(OCc4ccccc4)cc2)C(C)C)C3)C1 1841020120 QUQFVTKFQPATKS-MHZLTWQESA-N 472.629 5.175 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC4(CCCN4C(=O)c4cccc([C@@H](C)C#N)c4)C3)ccc21 1846828660 NAGLVPNKCNDXEB-NRFANRHFSA-N 490.607 5.572 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)cc1 1847619440 QBSVHIHVOSRTMH-WIHJZSISSA-N 476.020 5.195 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)Nc1ccccc1C#N 10142920 RLOLHJIMVOZPPE-QGZVFWFLSA-N 457.534 5.123 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(CC)cc2)c1C 10167676 HWRTXIZPBSRFSX-UHFFFAOYSA-O 464.611 5.017 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(C3SCCCS3)cc2)n(C2CCCC2)c1C 10373964 CHWGIJVVAWXCFF-UHFFFAOYSA-N 483.659 5.756 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cc(-c3ccco3)nc21 10683827 OFMVXVTZGXFVSE-UHFFFAOYSA-N 454.515 5.520 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccc3c(c2)CCCC3)c1 11113769 SWRWBZCXDWNXAH-UHFFFAOYSA-O 497.656 6.835 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2NCc2ccco2)n(C2CCCC2)c1C 12239915 LGDSBGKNBPSPNJ-UHFFFAOYSA-N 460.534 5.092 30 20 JKED C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nc2ccccc2c1=O 15231008 CUCUWGKFSAHRGP-UHFFFAOYSA-N 471.538 5.221 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1[C@H]1COc2ccccc2O1 21144286 FIUAFEIBHDGKRU-HSZRJFAPSA-N 492.645 5.954 30 20 JKED C=CCn1c(SCc2csc(-c3cc(Br)ccc3OC)n2)nnc1C1CC1 21329198 KOAGSAJCJMRKDZ-UHFFFAOYSA-N 463.426 5.528 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1 22122548 NMEDBIFSIOHRNR-UHFFFAOYSA-N 455.008 5.837 30 20 JKED Cn1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccc(C(C)(C)C)cc1 22160791 SEDPKWDYTUKSMR-UHFFFAOYSA-N 451.621 5.126 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc3c(c2)CCCC3)cc1 22733423 FQDWYFOZZZHSTF-UHFFFAOYSA-O 489.617 5.074 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccc(Cc2ccccc2)cc1 22797366 XJZRDJOKKKWZTH-UHFFFAOYSA-O 480.451 5.432 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2sc3c(c2c1=O)CCCCC3 23469846 FXNNOYGRDKZCLS-UHFFFAOYSA-N 491.585 5.245 30 20 JKED O=C(COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccn2)cc1)Nc1ccccc1 25198591 WAUMHZLCCQRKGQ-OBGWFSINSA-N 464.521 5.574 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1C#N 28491107 ZTDXEGGTQPMSBH-VWLOTQADSA-N 489.572 5.096 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccco1 29548497 YMAGJDLEDSHHMH-GOSISDBHSA-N 460.559 5.422 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)c2)c1 32288768 CBNXRFOBVFPYIL-UHFFFAOYSA-N 495.608 5.385 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 71938866 YRWDKGZVMQMRGF-SFHVURJKSA-N 476.989 5.249 30 20 JKED N#Cc1cc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)ccc1OCC(F)(F)F 107567163 OXRZLPLBMLWHSR-UHFFFAOYSA-N 481.883 5.369 30 20 JKED CCC[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1cccc(N2CCCC2)c1 110211381 NQSUHTFFYWEQHL-MHZLTWQESA-N 466.585 5.363 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccccc1F 195569021 RPSZMKOWHCTBIQ-UHFFFAOYSA-N 469.542 5.264 30 20 JKED C=CCOc1ccccc1C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 195722494 WAXPSKPOIIXRFN-QGZVFWFLSA-N 452.942 5.170 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)ccc1S(=O)(=O)C(F)F 303022928 UWHYDIACZGJGDA-VQHVLOKHSA-N 452.862 5.501 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3ccccc3CSc3nc4ccccc4o3)CC2)c(F)c1 303096499 FWGHXNYHKIYNGR-UHFFFAOYSA-N 472.545 5.093 30 20 JKED C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 480153933 HQFFRKLBKVEAMX-XMMPIXPASA-N 498.627 5.086 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(CC(=O)Nc4ccccc4F)cc3)c2)cc1 484317624 JPEOHWXVDHCNJW-UHFFFAOYSA-N 465.484 5.923 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)c2ccccc2C)c1 487168553 DJEBIPWXVFCZSZ-UHFFFAOYSA-N 469.006 5.696 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)n1 499457246 WSWWMHWTAFNCCU-UHFFFAOYSA-N 452.533 5.402 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(N4CCCCC4)nc3)c2)cc1 499679005 JGFGSZIRRYETPO-UHFFFAOYSA-N 455.562 5.039 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)c1 501476250 KOPDOEGJKQDJPZ-RUZDIDTESA-N 481.596 5.439 30 20 JKED CN(Cc1cccc(Br)c1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 503504378 JZYUZUSVCZUMID-UHFFFAOYSA-N 494.414 5.324 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 505857322 QGJYMHUKJJCBAO-UHFFFAOYSA-N 472.010 5.042 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 508240640 HJKLYSZFLILGJD-KRWDZBQOSA-N 470.529 5.590 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 509022873 MGHZQXFFXGRSKQ-UHFFFAOYSA-N 489.635 6.184 30 20 JKED CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@@H](C)c1ccc(C#N)cc1 509574909 KVEVBXNMPDOPBW-JXFKEZNVSA-N 458.389 5.327 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccnc(N4CCCCC4)c3)c2)cc1 509882845 DMPDFIIQSOOZJZ-UHFFFAOYSA-N 455.562 5.039 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 511484912 UJHOPMYSGSCCGB-ISKFKSNPSA-N 459.977 5.838 30 20 JKED C[C@@H](SCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc2ccccc2[nH]1 512314686 OMLDGCDLBPQEOK-GOSISDBHSA-N 458.562 5.597 30 20 JKED Cc1c([C@H](C)NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)oc2ccccc12 516286032 XGGGKKVFVRXGCG-SFHVURJKSA-N 453.498 5.008 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 518100077 UILSDOYCEOCPPB-LADGPHEKSA-N 476.374 5.772 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2c(F)cccc2F)cs1 518873547 AZBICTPVZVIKHL-INIZCTEOSA-N 454.429 5.889 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)Cc3ccc(NS(=O)(=O)c4cccs4)cc3)c2)cc1 519124742 USDIOROVBDBFPV-UHFFFAOYSA-N 489.578 5.394 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 519874623 NCRRQHNCYLQIFO-KQWNVCNZSA-N 494.576 6.222 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3c(Cl)cccc3Cl)s2)cc1 520183845 RCSUULROZCMEIR-UHFFFAOYSA-N 450.376 5.331 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 520987293 IXNGVZFRNQICPH-UHFFFAOYSA-N 454.979 5.012 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 522588652 XIKIOKHRFWKLQM-UHFFFAOYSA-N 461.905 5.545 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCc4c(Br)cccc4C3)s2)cc1 523687696 RBFFXBRKBXIZGR-UHFFFAOYSA-N 486.420 5.055 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCO3)o2)cc1 524379929 DOXNQVQNSUEBNV-LJQANCHMSA-N 452.894 5.194 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 588299222 LDRZTUAKKVHMKT-UHFFFAOYSA-N 476.321 5.323 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1 603637985 WBUSQGPZXJXKFW-UHFFFAOYSA-N 481.939 6.295 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl 603821200 ISWXUAYJRAAGMW-QGZVFWFLSA-N 491.893 5.775 30 20 JKED N#C[C@H](C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ccc2s1 603846232 GKMFPLKCJOOZBW-GFCCVEGCSA-N 489.353 5.654 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 603946428 DXIBOUPZKOXYSB-UHFFFAOYSA-N 496.976 6.349 30 20 JKED Cc1nc(SCC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(C#N)c(C)c1C 608817747 ANSZMLLHWWEQMT-SFHVURJKSA-N 482.009 5.080 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1C 608874574 AYIZJLWSUOAUBH-UHFFFAOYSA-N 452.562 5.409 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 609078257 HMNKJOYDXGIYDV-UHFFFAOYSA-N 474.605 5.139 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609086669 RDZDUDAVOHBKPI-UHFFFAOYSA-N 488.396 5.493 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc2F)c1 609123878 OFYPBJJWXZYSPB-FQEVSTJZSA-N 486.572 6.298 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 609427581 MEDNDBQIFMXKCZ-MOPGFXCFSA-N 471.648 5.205 30 20 JKED CC(C)(C)n1ncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C(F)(F)F 613344300 DLXMPPUMTNOUEH-GFCCVEGCSA-N 487.334 6.577 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc2ccccc2n1C(F)F 613401508 ACHRRBHSNMUFRS-HXUWFJFHSA-N 457.436 6.247 30 20 JKED N#C[C@@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(-c2c(F)cccc2F)cs1 622978238 ALUKCJHDPMRVJO-LBPRGKRZSA-N 457.914 6.355 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)n2)cc1 642281018 BAEYDYNJDAFPDP-JOCHJYFZSA-N 451.551 6.169 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccc(Cl)c2)cn1 726113790 SZTMWJGIQHQYIF-OAQYLSRUSA-N 482.009 5.025 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)OCCOc3c(C#N)cnc4ccccc34)cs2)cc1 726364372 MQMWLIMGXMJZMX-UHFFFAOYSA-N 459.527 5.253 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 726396353 RHIKIGLDCGTUBM-OAQYLSRUSA-N 499.589 5.065 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(F)c(Cl)c1 726402686 XBBZKYBPSXUROO-YWZLYKJASA-N 477.989 5.173 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)cc2)cc1 726570531 DIZLOZVWXOTZRY-UHFFFAOYSA-O 483.444 6.773 30 20 JKED COc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(Cc3ccccc3)cc2)cc1 726571144 FBWQDQNLJLXFGU-UHFFFAOYSA-O 496.612 5.080 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cccc(OCCCC#N)c1 726736867 XCKDIWIMQJYZAW-UHFFFAOYSA-N 462.962 5.652 30 20 JKED Cc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1NC(=O)c1ccncc1 728032078 GINCXAVJQXQOPR-UHFFFAOYSA-N 462.509 5.345 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 728110147 HTRBXVRNGLVJCW-UHFFFAOYSA-N 468.465 5.318 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2)cc1 728466661 MXNLQOXIDYDEPB-UHFFFAOYSA-N 481.474 5.136 30 20 JKED CCc1cc2oc(=O)cc(Cn3cc(C#N)c(=O)c4cc(Br)ccc43)c2cc1Cl 728705212 RKXWPFUALSNCQE-UHFFFAOYSA-N 469.722 5.006 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 729634745 SCMJHPOWNWPVKA-NRFANRHFSA-N 464.978 5.204 30 20 JKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3CNCc3ccc(OCC#N)cc3)ccc2c1 729685348 LKBWZIMCKRBQPJ-UHFFFAOYSA-N 474.564 5.893 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730460285 WVCMFSGGUCGJSO-IBGZPJMESA-N 461.509 5.527 30 20 JKED Fc1cc(Br)ccc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730583918 NUXWWSICLXVOLZ-UHFFFAOYSA-N 476.158 5.236 30 20 JKED Sc1nnc(COc2c(Cl)cccc2Cl)n1N=Cc1cc(Br)cs1 730584233 QVCLDEFOMLCAPS-UHFFFAOYSA-N 464.197 5.159 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 730943279 BFAHHNHHFLATDQ-MGPUTAFESA-N 499.423 6.110 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944213 SXAMAXXBRPNUFD-GAJHUEQPSA-N 492.576 5.341 30 20 JKED C#CCOc1cccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)c1 730978235 KRFZLXYBHURHKM-UHFFFAOYSA-N 450.604 5.272 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cnc2ccccc2c1C(F)(F)F 731067391 RULFWDNKGPJXNJ-AWEZNQCLSA-N 473.476 5.301 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 731114151 HTGGRCXLWWGGNX-KRWDZBQOSA-N 478.540 5.187 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cc(Cl)cc(Cl)c1 731308697 MEINQRNQGBAKCQ-DJJJIMSYSA-N 496.416 5.084 30 20 JKED N#C[C@H](C(=O)CCCOc1ccc(F)cc1F)C(=O)Nc1ccccc1Oc1ccccc1 743449625 SYDDOGUQXNSLBK-LJQANCHMSA-N 450.441 5.264 30 20 JKED C=CCN(CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)Cc1cccc([N+](=O)[O-])c1 745169019 FFKQEHGABYUYTF-UHFFFAOYSA-N 463.148 5.835 30 20 JKED CC(=O)N(c1nc(C=NNc2cccc(Br)c2)cs1)c1ccc(F)cc1F 745988450 WUQKCPXRARWRJS-UHFFFAOYSA-N 451.296 5.314 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)c(C)c1 746416849 QTWAYVSWKFJHKG-MRXNPFEDSA-N 458.370 6.003 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1 747018244 FFJLXOCDSVBUDS-IBGZPJMESA-N 469.522 5.572 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)Cn3cccn3)c2C#N)C(C)(C)C1 792668417 CJCFVPBKRNUTIF-WAYWQWQTSA-N 492.626 5.146 30 20 JKED C=CCn1c(SCC(=O)OCc2cn3cccc(C)c3n2)nnc1-c1ccc(Cl)cc1Cl 794267055 ZRTORXGPYJNBNK-UHFFFAOYSA-N 488.400 5.230 30 20 JKED CC(C)CN(CCC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 800690393 SHPCJBOXZYOOHN-UHFFFAOYSA-N 468.454 5.398 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1cccnc1 837301814 PALZSOYXABRPTJ-VGSWGCGISA-N 462.550 5.251 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1C1CCCC1 838532319 BDUGDXMCXQTEIU-NRFANRHFSA-N 488.009 5.260 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](C(F)(F)F)[C@@H]3C(F)(F)F)s2)c(F)c1 883986414 SSGMHQUXOWIGOE-SWLSCSKDSA-N 454.411 5.911 30 20 JKED N#Cc1cc(Br)ccc1N1CC(c2nc(-c3ccccc3OCc3ccccc3)no2)C1 904464499 IGBMQCAORYLRCD-UHFFFAOYSA-N 487.357 5.554 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1 904481990 DJDGCJZEJBZVOI-KRWDZBQOSA-N 466.929 5.179 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 913099739 SQIDXCGNIPOASV-AWEZNQCLSA-N 463.173 5.548 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)cc1 915087307 SBRLOLPUYRWSKT-SMTOUKNRSA-N 493.588 6.007 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(Br)cc2)s1 915464089 KRPKGVRBGOCROC-UHFFFAOYSA-N 487.400 5.589 30 20 JKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)cc1 915774531 BVLLDXBSEWLPDB-DQEYMECFSA-N 457.549 5.713 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1 916212518 OGOOUTQCRZQKDG-DEOSSOPVSA-N 489.597 5.173 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)c1 916217363 LOKHPZFWEIYHFY-SFHVURJKSA-N 464.374 5.125 30 20 JKED CC(=NNc1ncnc2sc3c(c12)CCC3)c1ccc(OCC(=O)Nc2ccccc2)cc1 916310024 SABBDMOAVVQXPF-UHFFFAOYSA-N 457.559 5.034 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2cccs2)c1 916900652 RBFIEPFTGQXSOG-SFHVURJKSA-N 454.935 5.259 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(CSc2ccc(C)cc2C)c1 916905115 AEERJTWPWTZZKJ-RUZDIDTESA-N 470.638 6.682 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 916914808 VJILBYNGGKWHNS-FQEVSTJZSA-N 451.473 5.243 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916928241 WYXIROGONXVKCS-LBPRGKRZSA-N 456.310 5.824 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc(-c2ccc(Cl)cc2)cs1 916976735 FNXOFJSIUGNOLW-SFHVURJKSA-N 453.951 6.145 30 20 JKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1Br 917560288 VEFPEJIOXHAPOQ-RMKNXTFCSA-N 491.794 6.148 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O)Nc1ccc(F)cc1F 917663854 ZFBMKWCDUUOUMR-IBGZPJMESA-N 475.517 5.326 30 20 JKED CCOc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)c1 917673775 HREIDFBZUAMNFC-QHCPKHFHSA-N 477.561 5.385 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917678084 OENGOADCGDAUFE-LJQANCHMSA-N 457.527 5.187 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917678765 IQCCJMUTVKVCBQ-LJQANCHMSA-N 473.982 5.701 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 918297620 LHIFBLWBMACSMA-GMAHTHKFSA-N 466.566 5.254 30 20 JKED C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)c1ccc(C#N)cc1 919812091 DWLSRXUXPXLSDH-OAHLLOKOSA-N 457.331 5.422 30 20 JKED CC(=O)N(c1nc(/C=C2/COc3c(ccc(Cl)c3Cl)C2=O)cs1)c1ccc(F)cc1F 920066693 VNFCFDALYSFMDK-WDZFZDKYSA-N 481.307 6.071 30 20 JKED N#C[C@H](C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 920109547 HVJUWLUPMCCKNA-QZTJIDSGSA-N 456.354 5.346 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 920353234 DVBDPNQKEPTPSG-QHCPKHFHSA-N 494.592 5.714 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(Cl)c2C)no1 920353883 VWBWOHRMJLOBHL-HXUWFJFHSA-N 486.956 5.244 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc2ccccc2c1 920871457 SXDKTJKCKJJYLS-MHECFPHRSA-N 491.613 5.091 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(C(F)(F)F)cn4)cc3)CCC2)c1 1788392108 WVJSFKUSMOVODE-INIZCTEOSA-N 493.489 5.184 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1789024525 XIPGCJHRVPETIN-UHFFFAOYSA-N 495.535 5.145 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(Cl)c(Cl)cc3F)CCC2)cc1 1789579366 HDJSWBUWOQZGBX-XODNFHPESA-N 488.346 5.592 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccncc4)[nH]n3)cc2)CCC1 1789794584 ZZUNXGPVMCTFAC-UHFFFAOYSA-N 457.578 5.212 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)s4)cc3)CCC2)c1Cl 1789862438 DAXBQEILROCKHP-UHFFFAOYSA-N 471.369 5.383 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4occc4n3-c3ccccc3)cc2)CCC1 1789994703 OARRDKBUSXEDRB-UHFFFAOYSA-N 451.526 5.385 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c5ccccc5n5ccsc45)cc3)CCC2)CC1 1790002559 KAIOCQICNQKMPY-UHFFFAOYSA-N 454.555 5.205 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1790566616 CDEAPSITQAQJDG-QGZVFWFLSA-N 478.980 5.437 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4Cl)CCC3)cc2)cc1 1790706773 UKTAKSPWOGOOCO-UHFFFAOYSA-N 479.367 5.516 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c(C5CC5)c4F)CCC3)cc2)c(Cl)c1 1790764337 VGSNULVITNPYQN-UHFFFAOYSA-N 477.927 5.013 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4)CCC3)cc2)c(Cl)c1 1790765809 FDXDMBVOAXMWFW-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4C4CC4)CCC3)cc2)cc(C(F)(F)F)c1 1790785354 JAMQEWNYIBAHRB-YADHBBJMSA-N 467.491 5.371 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccccc4)cc2)C3)c1 1792941245 NNOQPRCHMHCLEU-OOSCYNTBSA-N 479.580 5.235 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCC(=O)OC(C)(C)C 1800207944 QCPOWDHSOBNUFW-BJESRGMDSA-N 460.659 5.075 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)[C@@H]2c2cccnc2)C1 1802416047 MLMZRGXRIIUKKN-LAUBAEHRSA-N 477.914 5.040 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)c1 1803685650 ZMTHVUONTNDURY-JPTIVFSVSA-N 499.561 5.824 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1804001457 YBZHWTNWMQKLJF-BIGKGVTBSA-N 471.523 5.032 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4Cl)CC3)C2)C1 1804787281 WKOFVFIBWUDWOM-UHFFFAOYSA-N 454.920 5.170 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)C1 1806067725 WNQCUXPNBCJSLN-XMMPIXPASA-N 479.646 5.227 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)C3)[C@H]1c1cccnc1 1808148414 LIADAUYVUTZFOU-LADGPHEKSA-N 475.633 5.107 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808825967 JLWYCQJCCFVAKX-UPVQGACJSA-N 488.657 5.517 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808974657 JFHIVSXZBBZNNX-JYFHCDHNSA-N 455.602 5.547 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)oc3cc(O)ccc23)[C@H]1c1cccnc1 1809282729 GKOPVNCNQOBKOZ-CJFMBICVSA-N 475.589 5.154 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@@H]1c1cccnc1 1809689997 RDQUXURFXLBHEB-UUOWRZLLSA-N 480.559 5.153 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2sccc2Cl)[C@H]1c1cccnc1)c1ccccc1 1810443237 GCVMGYIVLDVCEU-FIXSFTCYSA-N 492.044 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccoc2C(F)(F)F)[C@H]1c1cccnc1 1810500017 KTYRLGFPYJKLIM-MJGOQNOKSA-N 463.500 5.005 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3sccc3Cl)[C@@H]2c2cccnc2)c1 1811095539 FJLQGDRBOYCNDL-CNDZOEFASA-N 479.005 5.057 30 20 JKED O=C(NC[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811245544 ZMUYRHKBZZDPND-NNFJYWIMSA-N 489.619 5.157 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4cc(F)ccc4s3)[C@@H]2c2cccnc2)cc1 1811361332 WVXITQLFBAKRPI-QFQXNSOFSA-N 498.583 5.135 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(CC(C)C)cc3)[C@H]2c2cccnc2)c1 1811939364 IJRVSDSFDPGWBL-IAPPQJPRSA-N 480.612 5.094 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1811941519 GMIVMVKFEBDGKQ-FYYLOGMGSA-N 471.523 5.188 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1812234575 YKEFHOHXFKXSQV-YADARESESA-N 479.024 5.528 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[C@@H]1c1cccnc1 1812448929 QJUBJWKOPNQDIA-SGGJORCASA-N 499.577 5.190 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813972465 FGZGTIQGYZQHIL-LIRRHRJNSA-N 486.321 5.059 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CSC3CCCC3)n[nH]2)c1 1815186683 FNLJYQDFKZGOKC-VGSWGCGISA-N 465.623 5.018 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CSc3ccccc3)n[nH]2)c1Cl 1816951742 SWMUXPAICGLCQQ-HXUWFJFHSA-N 479.993 5.033 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3CSc3ccccc3)[nH]n2)CC1 1817112088 WBWSGUXVSPMJTN-QHCPKHFHSA-N 485.613 5.312 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(Br)nc2C)n[nH]1 1818414771 ZLZILMASALISDX-OAHLLOKOSA-N 494.459 5.235 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@]3(F)CCCCC3(F)F)n[nH]2)c(Cl)c1 1818891078 WZYSRCHDWDKIGF-PGRDOPGGSA-N 493.917 5.158 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818941107 OYCLNUCOVQULHB-OAHLLOKOSA-N 492.395 5.216 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)n[nH]1 1819919729 MYGIUJZXSJDKPP-GOSISDBHSA-N 495.933 5.551 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2Cl)n[nH]1 1820187488 OWQWWOTUJCTARR-FZKQIMNGSA-N 466.916 5.183 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)[nH]n2)c1 1820485802 FTACLNBIYRNDII-SANMLTNESA-N 491.551 5.693 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2[nH]nc3c(Cl)cccc23)n[nH]1 1820696616 VSSRQSVOQBGHSX-FQEVSTJZSA-N 483.016 5.167 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)n[nH]1 1821007401 UDWBZDWWKZLDDC-LADGPHEKSA-N 491.542 5.463 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)ccc2OCC)n[nH]1 1821154544 UHCITSVBJSAIHV-WIYYLYMNSA-N 471.001 5.536 30 20 JKED C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310372 RGYQMCFEAJKDFU-DJKXOVBDSA-N 473.499 5.042 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821385712 ULDPKCNGALTOKO-QFIPXVFZSA-N 463.969 5.111 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3sccc3c2O)n[nH]1 1821503398 DKNWLBSUWCVOAI-FQEVSTJZSA-N 464.591 5.404 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1 1821860161 IUQGMPPSTBFMQN-YWZLYKJASA-N 494.423 5.142 30 20 JKED Cc1cc(F)cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1822497497 GVRZFAOJWFIZHS-MHECFPHRSA-N 473.552 5.033 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1823685334 UPYUXCJROOMERA-RUZDIDTESA-N 497.561 5.443 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1823702678 SNAFRDYAABDEAU-HHHXNRCGSA-N 481.640 5.806 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 1823811978 HDMHBKXXQYQOLG-GDWZEYGFSA-N 475.677 5.327 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)cc1 1823895810 JJQQMNUMIPMEBW-RUZDIDTESA-N 481.999 5.217 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053390 WDBDIXISLGOPPK-BAMUOBTLSA-N 473.617 5.116 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053730 CULDYQBWEJFAGW-VWLOTQADSA-N 494.035 5.086 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cnc1C 1825394393 PKLKJMVHWDXCHI-XMMPIXPASA-N 498.549 5.136 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc(Cl)c2)CC1)c1ccccc1 1825938444 IINDHNHWGSRGED-DQEYMECFSA-N 478.036 5.166 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1826370407 GKIMCTLYCMPXNE-RUZDIDTESA-N 494.035 5.086 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827352402 RPUOZMOGEWZACS-NOZRDPDXSA-N 483.653 5.075 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)ccc1F 1828009469 AXRCFOKUDOXFOD-NDEPHWFRSA-N 483.587 5.327 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1828776856 DQSLJBXTDITVMO-GCJKJVERSA-N 467.660 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)nc2)CC1 1828825325 VKSNUZCYEHQXBM-DNQXCXABSA-N 451.655 5.381 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829903205 AMGZRICADNQPIU-SFHVURJKSA-N 459.364 5.438 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189356 RZQINOZJZNPTQO-HHHXNRCGSA-N 491.752 5.381 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1830628967 QQOZZCQMSXLJPQ-SANMLTNESA-N 498.652 5.423 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3CC3)cc2)CC1)c1cccs1 1830749146 CDEGXVOBTMIHRW-BYUVYSIJSA-N 476.642 5.298 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1831443865 BWIRDQAZERHYJX-FQEVSTJZSA-N 472.498 5.079 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)CCCCC)CC1 1831467878 CVEXQFQORSUNSZ-GMKZXUHWSA-N 491.717 5.292 30 20 JKED COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1C 1832633147 CWFVATYXZSATBJ-HFZDXXHNSA-N 473.617 5.178 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4c(Cl)cccc4s2)C3)c1Cl 1844735244 VDVZFUNCUQHEOD-UHFFFAOYSA-N 470.381 5.211 30 20 JKED Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cccc([C@H](C)C#N)c3)C2)c2ccccc12 1846833083 PKZHYRGWVKCGDN-JOCHJYFZSA-N 465.597 5.225 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(C(C)C)s2)nnc1-c1ccc(Cl)cc1Cl 9225082 PSKFZHYJZOWRGX-UHFFFAOYSA-N 469.423 5.144 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccc(Cl)cc1 21849043 PGJBJMPRGUXVCL-GOSISDBHSA-N 468.026 5.663 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1Cl 23518470 MMRUVVGTTVBROE-OAHLLOKOSA-N 460.962 5.263 30 20 JKED Cn1ccnc1[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 23777074 QFCANVCCPWMZGU-GBVBSETHSA-N 471.376 5.516 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(N/N=C3\C(O)=Nc4c(C)cc(C)cc43)c([N+](=O)[O-])c2)c(C)c1 24035722 OIKCIQPYOTYFHE-UHFFFAOYSA-N 493.545 5.047 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)c1C 28793761 GYPBEMHKWZEACF-UHFFFAOYSA-O 476.500 5.071 30 20 JKED C=CCn1c(SCc2nc3ccccc3c(=O)n2C)nc2sc(-c3ccccc3)c(C)c2c1=O 31751229 YABJSLIRCPNUGU-UHFFFAOYSA-N 486.622 5.159 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)c(OC)c2C)nnc1-c1ccc(Cl)cc1Cl 33049340 LVWFPMRETRYYJJ-UHFFFAOYSA-N 477.417 5.794 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 97543252 YFXQHBXODAZDPM-HNNXBMFYSA-N 473.882 6.249 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nnc2n1CCCCC2 195556525 MDKCALBHACUBLY-LJQANCHMSA-N 468.344 5.054 30 20 JKED C[C@H](S[C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 195696180 BYAHWLFILZGPEX-YUMQZZPRSA-N 459.358 6.102 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ncc(-c2ccccc2Br)o1 195728017 YJHRRERNLPVPBB-UHFFFAOYSA-N 470.323 5.160 30 20 JKED C=CCn1c(Sc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)nnc1-c1ccncc1 216463551 PJABCRWNIPVDAY-UHFFFAOYSA-N 485.642 5.411 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2sccc2C#N)nnc1-c1cccs1 251530982 KENUBIVEZUWHAD-QBYUYEEZSA-N 469.661 5.668 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 302958858 FSBMSEKTWTYAMI-UHFFFAOYSA-N 463.541 5.006 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc1 303065116 YMSPZVOOELHJIG-UHFFFAOYSA-N 466.541 5.573 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 482839994 KZVLLBWIKOJWNM-UHFFFAOYSA-N 495.539 5.447 30 20 JKED CCc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cn2)c1 502678985 IHWOSQYYHMWRCF-UHFFFAOYSA-N 469.545 5.191 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)ccc21 503540371 PTULMMXJWCXCJQ-JOCHJYFZSA-N 459.571 5.527 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2Br)cc1 507824844 KGUIBUTVCRSWGA-OAHLLOKOSA-N 466.335 5.561 30 20 JKED CC(C)c1ccc(CSc2nnc(SC[C@@H](O)COc3ccc(C#N)cc3)s2)cc1 508503088 GSKNRYXHHDIZEN-IBGZPJMESA-N 457.646 5.357 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 509262267 GISCGQJBXCPHEI-UHFFFAOYSA-N 491.469 5.690 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 510237264 CUYDOMNZMDMFHA-QGZVFWFLSA-N 494.016 5.719 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 510240995 JRBZPPPUGFTLSI-HXUWFJFHSA-N 472.520 5.681 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 510255244 RPZOUNSLUHIEAB-UHFFFAOYSA-N 489.475 5.029 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 510675492 QOWXTXDYOQKPAG-OAQYLSRUSA-N 478.552 6.516 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)Cc2nc(O)c3ccc(Cl)cc3n2)cc1 510994820 GEROSQBUTCSINH-UHFFFAOYSA-N 493.995 5.247 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 513655418 QOCCKHYJYFYZLW-LJQANCHMSA-N 450.523 5.648 30 20 JKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1N1CCCC1=O 513996645 KLCIJOLIIJYSCH-UHFFFAOYSA-N 472.520 5.067 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1 514051584 GUZGSUFDYAZGCO-UHFFFAOYSA-N 467.323 5.196 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(C3CC3)nn2-c2ccccc2)n(C2CCCC2)c1C 514520236 FZUOKJKKVXOGDP-UHFFFAOYSA-N 460.607 5.281 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccc(Br)cc4)c3C)n2)cc1 516713775 JBDCDGCOLPNQNQ-IBGZPJMESA-N 493.386 5.565 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)nnc2N2CCCC2)cc1 517447536 KTPDSZNIHBFUDY-IBGZPJMESA-N 492.674 5.159 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cc2cc(Br)cc(Br)c2o1 518121200 VTSJXOLKQKNCHA-UHFFFAOYSA-N 480.181 6.216 30 20 JKED Cc1nc(-c2ccc(CNC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)s2)cs1 518252134 HQDRBKLINMRHFZ-UHFFFAOYSA-N 474.567 5.099 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C)c3NC(=O)c3ccccc3F)n2)cc1 518516527 IXSVQOVIHWPZGM-OAQYLSRUSA-N 485.540 6.009 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 518689515 GWPVCNMZKISESE-UHFFFAOYSA-N 468.351 5.382 30 20 JKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3S[C@H](C)CC#N)[C@@H](c3ccco3)C2)cc1 518758946 PFKULZPRMMKXJD-AUSIDOKSSA-N 458.587 5.772 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OCc2cscn2)c1 519434373 WMOWLMLJCBVBHN-UHFFFAOYSA-N 463.506 5.999 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 520197425 DCNRRJMYPKCTOA-OAHLLOKOSA-N 463.529 5.285 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)c1 524122659 JLEBGOWPDILTRV-QFIPXVFZSA-N 454.530 5.020 30 20 JKED N#C[C@H](C(=O)c1oc2ccccc2c1COc1ccccc1Cl)c1ccc(C(F)(F)F)cn1 588348631 UBCATPNFQDZQFW-INIZCTEOSA-N 470.834 6.569 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3COc3cccc(C#N)c3)n2)cc1 588348906 HBLPNJTUOUCOAQ-NRFANRHFSA-N 455.495 5.352 30 20 JKED O=C(Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1)Nc1ccccc1F 590336366 XQHVNVPYUTUDCZ-GJZGRUSLSA-N 491.407 5.602 30 20 JKED O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 603573159 VACHKASRKUNJJH-QWRGUYRKSA-N 495.342 5.441 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(Oc5cccc(C#N)c5)nc4)cc3)o2)c1 603622805 GEPYFJVHRRHYQC-UHFFFAOYSA-N 473.492 6.023 30 20 JKED N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)cc1 603697549 CVYDYYHUHBSVFJ-HXUWFJFHSA-N 477.351 5.233 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1C(F)(F)F 603758683 ATUHQNJOAPUHSF-FQEVSTJZSA-N 494.904 6.761 30 20 JKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 603758701 BNVOFKNHQJPSGQ-QGZVFWFLSA-N 487.846 5.766 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc(-c3ccco3)nc21 603763949 DBKBJDVDTQZTHK-UHFFFAOYSA-N 464.485 5.583 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)cn2)cc1 603764872 ORFKHHMALDQSEE-UHFFFAOYSA-N 480.471 6.069 30 20 JKED CSc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccc1NC(C)=O 603785134 VABBBQJWLFNCQT-UHFFFAOYSA-N 490.532 5.557 30 20 JKED CCC(CC)C(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 604089871 PEBLQGRMGKKOQB-UHFFFAOYSA-N 454.958 5.116 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 609139302 XNUUKGWWVUUGOH-QHCPKHFHSA-N 486.572 5.782 30 20 JKED Cc1noc(CSc2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)n1 609173326 OQZMIJFLWVYRQT-XMMPIXPASA-N 470.554 5.244 30 20 JKED CCCCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2ccccc2c1=O 609370986 PMUBEOWYOSAXSX-QGZVFWFLSA-N 466.632 5.322 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378285 ATHUDPRIQOGMRB-UHFFFAOYSA-N 479.505 6.179 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 609403060 PJINCPRLFBGIJO-CQSZACIVSA-N 483.947 5.360 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 609434644 FKWRGBXMDWDQTG-QGZVFWFLSA-N 451.571 5.707 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1ccccc1Cl)c1nc2ccccc2n1C(F)F 613401799 OEJGALGUOKKMAZ-KRWDZBQOSA-N 451.860 6.154 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(F)cc2C(F)(F)F)nnc1-c1cccc(C)c1 613930993 YTXYAXYXOJUSFZ-UHFFFAOYSA-N 464.488 5.006 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc3sc(Nc4ccccc4OC)nc3s2)cc1 617181235 CHTYZRUPUNEFQB-UHFFFAOYSA-N 464.572 5.278 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n1 622283155 HIKBZWFHBFXPGY-GOSISDBHSA-N 454.477 5.667 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1[C@@H]1COc2ccccc2O1 645077566 JVFZTCBWPZYZHJ-ACJLOTCBSA-N 491.400 5.403 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 726413617 YVNFXGQBOYKPAD-JOCHJYFZSA-N 492.988 5.087 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3 727996124 FQTRQNOUZUQJNC-UHFFFAOYSA-N 498.608 5.606 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1 728121947 QOXJAOSPSODNIK-UHFFFAOYSA-N 472.936 5.002 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1CCCCC#N 728777333 KGMFESDMPRLQLV-FQEVSTJZSA-N 499.434 5.412 30 20 JKED Cn1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1-c1ccc(Br)cc1 729418110 WYYLJKFJVYQUGJ-UHFFFAOYSA-N 464.363 5.010 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(OC)c1 729634682 QVQZMLLUWVRBQF-QFIPXVFZSA-N 469.607 5.100 30 20 JKED N#C[C@@H](C(=O)c1sccc1SC(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 730688387 VVOKEAKEESACDD-JTQLQIEISA-N 461.367 6.983 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)c(C)c1 730712021 HQOUYAZZYWZIMD-QFIPXVFZSA-N 462.575 5.069 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 730714805 XIRPOOUMZWLOKH-PXNSSMCTSA-N 479.631 5.185 30 20 JKED Cc1nc2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2n1-c1ccccc1 731063309 IZIUNWLTIVHWPX-GOSISDBHSA-N 484.581 5.381 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C[C@@H]1CCOc2ccccc21 731153045 WNAWUYZKXFRGHC-NBGIEHNGSA-N 496.592 5.085 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccc3cccnc23)C1=O)Nc1ccccc1 744993781 OQINDOITQIHNKT-QHCPKHFHSA-N 484.556 5.534 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 750393047 VVXHYZATKKTFPT-OAQYLSRUSA-N 455.539 5.713 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2Cl)cc1 751094396 FXUWZYLILMAJBU-UHFFFAOYSA-N 472.682 5.927 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cn2)ccc1Cl 756318702 SCWDHHNNMZZJDM-UHFFFAOYSA-N 476.385 5.330 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 768137172 LKFUBHRNPMYNCA-QNGOZBTKSA-N 480.948 5.817 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C3CC3)CC2)c1C 837405243 RRGARLMDQNGIBB-XMMPIXPASA-N 494.636 5.030 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 837480448 HTCWWRUCNQFRQE-BTYIYWSLSA-N 482.968 5.596 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccccc2NC(=O)c2cccs2)ccc1Cl 875261754 RMJPZTMVMKMQGF-UHFFFAOYSA-N 481.961 5.066 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(F)F)cc1 914545639 FUHWJRRJPSRANE-IRLDBZIGSA-N 487.572 5.286 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@H](C)Cc2cccs2)C1=O 914692397 XJQCMTYLPREXLT-ZHRRBRCNSA-N 497.617 5.487 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 915087003 OTGACQNPKUJVAS-MHZLTWQESA-N 471.516 5.391 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cs2)cc1 915100280 OJGRFSFMQUHMSZ-OAQYLSRUSA-N 459.596 5.881 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccc(OC)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916137483 YFGKRAIMVUPJKI-CLFYSBASSA-N 491.496 5.344 30 20 JKED O=C(Nc1cccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1Cl 916154406 IQFIWKJMOGGVOM-GDNBJRDFSA-N 472.349 5.299 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC2)C1=O 916214604 POGOAVOKPIUJAZ-SFHVURJKSA-N 464.374 5.125 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2ccco2)C1=O 916217110 FNTMOJHDPRIUIM-QFIPXVFZSA-N 463.559 5.066 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1OC 916326309 MNXNICSQCLDGES-UHFFFAOYSA-N 496.596 5.045 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@H](C#N)C(=O)Nc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 916899899 XMSXOCVVGRMANV-DEOSSOPVSA-N 499.954 5.190 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2cc(Br)ccc2o1 916902383 GCVJAYSIJQSOBX-ZDUSSCGKSA-N 461.699 5.127 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916910691 IQEYTYIKXTYJSH-LJQANCHMSA-N 460.946 5.241 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916918581 QSMWEKKIKPCGHB-OAQYLSRUSA-N 484.968 6.163 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945441 VFLZJHHMOLHNOB-SFHVURJKSA-N 481.426 5.588 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 916949812 PWKWYPFMHBINCO-DFBJGRDBSA-N 474.582 5.135 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 916954497 IJDDMBPFQOYCKN-WZONZLPQSA-N 465.557 5.593 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccc(Cl)cc2)cs1 916975713 DUNMEBNFQJPSAN-GOSISDBHSA-N 483.380 6.366 30 20 JKED N#C[C@H](C(=O)CSc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996111 KFIKKMRZUINMHL-CYBMUJFWSA-N 455.338 6.364 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cc1 917019070 XLLBVPVPYHAVNF-RPAADVPWSA-N 477.973 5.131 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2n1C(F)F 917045686 ZTOCDZHIKNZORP-XMSQKQJNSA-N 496.311 6.190 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1 917426716 NGFZDCKJKFBYFC-QGZVFWFLSA-N 485.924 5.071 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 917532191 NFXJAYYPPULHER-UHFFFAOYSA-N 463.441 5.509 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(Br)s2)cs1 917557676 GHBOPKYRSQIZHK-DAXSKMNVSA-N 467.797 6.201 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1C#N 917700273 CREJVVDCKKUCAI-IBGZPJMESA-N 488.585 5.489 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 917712120 DXLCJSRPNKPLOU-JOCHJYFZSA-N 471.598 5.336 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1cc(C)on1 920357099 TXXLHDRJOVOXCE-QHCPKHFHSA-N 476.602 5.323 30 20 JKED COc1cc(C)cc2c1OC/C(=C/c1csc(N(C(C)=O)c3ccc(Cl)cc3)n1)C2=O 920388703 CSMKEZOMJDZWPP-GDNBJRDFSA-N 454.935 5.457 30 20 JKED COc1ccc(O)c(C=Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)c1 920944154 HPTHLJZUZOVIQD-UHFFFAOYSA-N 451.331 5.259 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NCC2CCC2)[n+]2ccc3c(c2)CCCC3)C=C1 1115964112 KYGWCYVVSKNXRD-UHFFFAOYSA-O 478.682 5.250 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]c3c(Cl)cccc3c2C)C1 1777939764 OAPIULGPPZYAPC-RAKYAITLSA-N 484.040 5.026 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H](S)C(C)C)cc3)CCC2)c(C(F)(F)F)o1 1786391612 PAWWELJAHJCJNV-QGZVFWFLSA-N 454.514 5.309 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cc2)CCC1 1789224883 SPCHOMTVBCQZRF-UHFFFAOYSA-N 478.390 5.482 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393554 SZYOXFBZQXNRTD-UHFFFAOYSA-N 479.964 5.078 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)ccn4)cc3)CCC2)c1 1789722227 TVPXTHZMRXTXEN-QGZVFWFLSA-N 458.949 5.424 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5c(ccc6ncccc65)s4)cc3)CCC2)c1 1789998678 PIICJNKLMMVTSB-UHFFFAOYSA-N 491.576 5.711 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4c(C(F)(F)F)coc4C)CCC3)cc2)c1 1790073154 OKHMBOWIRYBAKQ-UHFFFAOYSA-N 497.473 5.549 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)c(Cl)c3)CCC2)cc1 1790512847 NLFWSCVVSVHQPI-UHFFFAOYSA-N 493.362 5.390 30 20 JKED O=C(CCc1c[nH]c2ccc(F)cc12)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1791488061 NRVTXZXZQXOAPW-OCSSWDANSA-N 486.547 5.086 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc2)CCC1 1791499540 MLBXBFZLKRDRNZ-GOSISDBHSA-N 457.615 5.026 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3csnc3C)CCC2)cc1)c1ccc(O)cc1 1791646419 NMNBFGLRQGNJAB-HXUWFJFHSA-N 473.598 5.102 30 20 JKED COc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)n1 1792123213 NTOOSWAAMVVHBZ-HXUWFJFHSA-N 482.584 5.098 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)cc4C(F)(F)F)cc3)CCC2)CC1 1792179173 XORSOELYJQHMQC-UHFFFAOYSA-N 461.871 5.410 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)C2 1792567376 IQWFQNPRMHYGRT-KIHHCIJBSA-N 497.680 5.191 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(C(F)(F)F)cc3)[nH]n1)C2 1793051154 OUTQGDRTKAZQSB-WKCHPHFGSA-N 486.538 5.116 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1OCc1ccccc1 1799336942 JXVZIPWHNCNBNP-ZBNTXBBCSA-N 487.065 5.125 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)[C@@H]2c2cccnc2)C1 1802414145 XLERBLSLTLBGSW-WXVAWEFUSA-N 487.550 5.313 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2OC)[C@@H]1c1cccnc1 1802503894 ZIULVJKMFCMJMT-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1802733275 CJHYESNIPSXMIN-REWPJTCUSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)[C@@H]1c1cccnc1 1803084534 RMDBLLPZYKTXRU-XUZZJYLKSA-N 465.663 5.529 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1803086920 PBUKOXRRKFQZSF-VWNXMTODSA-N 496.449 5.241 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1803986262 QVAMTAUAGCJTEL-SSXYFDDISA-N 477.571 5.225 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1808145957 MLECFMZJVRYUKV-AZGAKELHSA-N 487.644 5.273 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccoc2C(F)(F)F)[C@@H]1c1cccnc1 1808575420 XIBYERYWEHDJBK-HKUYNNGSSA-N 463.500 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1810173856 XJVNORGWSHDEOL-NNMXDRDESA-N 475.511 5.090 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@H](CNC(=O)c3c(Cl)cccc3Cl)[C@@H]2c2cccnc2)c1 1811715928 MZDLFCSUCCOFSD-HXOBKFHXSA-N 497.357 5.033 30 20 JKED Cc1ccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cc(C#N)ccc4F)[C@@H]3c3cccnc3)sc2c1 1812221352 JSCKIUSHRRZCOR-QFQXNSOFSA-N 498.583 5.249 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812589507 FWUUCIDWPGSRMF-RRMPHLOHSA-N 479.930 5.286 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@@H]1c1cccnc1 1812954427 HMLCJUGTGNTMSF-LEQOFBOASA-N 485.550 5.211 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1813062261 DQTVDDWZYJZLGJ-GGXMVOPNSA-N 461.650 5.637 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccnc1 1813748019 KPGUACTUMWOLTE-AUSIDOKSSA-N 470.013 5.056 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c1Cl 1813862063 UKVHRGRJZNOOST-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@@H]1c1cccnc1 1813990325 HRLCJMVPMMLQAD-FIBWVYCGSA-N 497.614 5.325 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cc3cccc(F)c3)c2)[C@@H]1c1cccnc1 1814008747 ILQSYYRBABASKJ-OEQAEZTDSA-N 485.603 5.343 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@H]3OCCc4ccccc43)n[nH]2)c1 1815134966 ZMESNRZZIYSEKF-JSRBVGTNSA-N 497.599 5.047 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)s1 1815855059 ONJXXIUGTQURAL-HXOBKFHXSA-N 475.618 5.345 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C(F)(F)F)coc2C)n[nH]1 1818290206 WLUUPBGPWYFWEW-MAUKXSAKSA-N 464.488 5.404 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818813272 QXHOVNFQMFXZCX-GNISGLHKSA-N 454.477 5.073 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4scnc4c3)n[nH]2)c1 1819151225 ZZELAFKCULQERC-AOMKIAJQSA-N 484.585 5.266 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccc(C)cc2)[nH]n1 1819306624 ABTWGPMBFWHXQE-UNMCSNQZSA-N 452.624 5.271 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)[nH]n1 1819552305 JHYOUAVLGIBLOY-FQEVSTJZSA-N 476.980 5.266 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)[nH]n1 1819552824 DOWSZLASCNFZRF-FQEVSTJZSA-N 491.558 5.441 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)c(OC)cc(OC)c2F)[nH]n1 1819553871 XOACESFSWKLQGL-INIZCTEOSA-N 490.551 5.003 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)[C@H](S)C(C)C)[nH]n3)sc2c1 1821524312 BGFUHKFZMIRCEJ-DYESRHJHSA-N 456.637 5.193 30 20 JKED C[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)CC1 1822943497 CHAXRQIKFXFJAY-FTRWYGJKSA-N 453.974 5.067 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3c1oc1ccccc13)CC2 1823089068 IZCDBQLXGWMTDU-CVEARBPZSA-N 490.585 5.069 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)C1 1823700743 WWBHHHGNEKVTCP-HSZRJFAPSA-N 451.998 5.088 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 1824032269 WMWPEHRGBWBRLV-KCHLEUMXSA-N 487.619 5.053 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1824542601 ZRWGKOQTVVKBRX-QUCCMNQESA-N 475.457 5.320 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 1825202509 RPXANNUUTSKPER-AREMUKBSSA-N 477.674 5.113 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1825566058 FPIAMXJGPLFYGQ-NRFANRHFSA-N 477.093 5.517 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826672118 FBKMQOCUYBQESG-SFHVURJKSA-N 482.440 5.420 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)F)no2)CC1)c1ccccc1 1827260629 PUMBALWNAYJYCN-JTHBVZDNSA-N 483.559 5.043 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)c1 1827335621 RRNHIZFQMDKFGQ-QRGYCXFASA-N 498.627 5.002 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827337119 OTWQFZMQXVCBIY-HHHXNRCGSA-N 471.645 5.484 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)CC1 1827514695 XTMGPHNXTNHMMJ-VWLOTQADSA-N 464.650 5.402 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681721 QODWDMQMTMYMMR-HXZXTKRRSA-N 482.671 5.272 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccncc3C(F)(F)F)CC2)c1 1827853590 PPKNFGKJSDASIR-HOYKHHGWSA-N 498.549 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NO[C@@H](c4ccccc4)C3)CC2)c1 1828393337 WNGUICKLJICCBI-KPGYKUMBSA-N 498.627 5.065 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1)c1cccs1 1828515954 HHEKNWXYABQUQB-UPWIVDSGSA-N 493.604 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829689911 CNTKCDCHGJTLSG-JTHBVZDNSA-N 454.014 5.213 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)CC2)cc1 1830537957 UNONXXIQANPRDL-JOCHJYFZSA-N 487.497 5.263 30 20 JKED CC(C)(C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755339 XAUZKTKYYFEUOF-OAQYLSRUSA-N 463.544 5.247 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)ccc(Br)c3C)CC2)C1 1830778320 SKZFIDZCKZVVAN-NRFANRHFSA-N 477.418 5.096 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccoc4cn3)CC2)c1 1830822345 FUMRKRDHKNYXNN-CLOONOSVSA-N 470.573 5.002 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1831858692 FPFXVIFIDCTQMX-QHCPKHFHSA-N 469.423 5.412 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831970224 LVXJNSMTFSZXMZ-KYDUUQRPSA-N 493.511 5.036 30 20 JKED COc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1F 1832635909 YHGWGLFIHIRXFC-DVECYGJZSA-N 477.580 5.008 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1)C(F)(F)F 1832715287 SOAIBZKXNYNIBW-GOSISDBHSA-N 481.317 5.484 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 1832757020 OIUVOLDHHWLZPE-VWNXMTODSA-N 491.717 5.294 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(CC)cc3)CC2)CC1)c1ccccc1 1838416595 BYMIQDHAVCANCK-GDLZYMKVSA-N 486.656 5.058 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc3ccc(Br)cc3s1)C2 1841319511 ZFWJFIHSXQFAFH-UHFFFAOYSA-N 473.436 5.249 30 20 JKED C=C(C(=O)N1CCCC12CN(C(=O)c1ccc(F)c(F)c1CSc1ccccc1)C2)C(F)(F)F 1846015161 SXYSRKWHIWKHQU-UHFFFAOYSA-N 496.501 5.193 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCc2cccc(C#N)c2)cc1 8751013 AKKHJOMZZSMIIR-WSDLNYQXSA-N 453.523 5.273 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccccc1 10745475 OQTPBZGQVYRQQD-AWEZNQCLSA-N 457.481 6.053 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccccc2CC)c1C 11083402 QSVLNHIHSPTTPP-UHFFFAOYSA-O 482.601 5.157 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 11170860 VJOKPWGHSHBDED-UHFFFAOYSA-O 469.605 6.372 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccccc2CC)cc1 11251531 KCNYUNGLIIKWJP-UHFFFAOYSA-O 469.533 5.042 30 20 JKED COc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 11508388 QDVOPCYWBBGOGJ-AWEZNQCLSA-N 481.599 5.205 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2scc(-c3ccccc3)c2c1=O 17652907 RVPQGONTWYIBPO-CQSZACIVSA-N 478.624 6.276 30 20 JKED N#Cc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)cc1 18253378 GEUHLKWCNINXNO-RCCKNPSSSA-N 460.489 5.339 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1c(C)cccc1C(C)C 21128514 CMMCHHRYLMDODV-UHFFFAOYSA-N 454.571 5.345 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(F)cc1Br 21437956 LEEXUXVRJQWGFL-UHFFFAOYSA-N 452.324 5.376 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 21683375 SQCYGFSWVLMBJI-LJQANCHMSA-N 471.561 5.501 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1cccc(C)c1 22212596 JWRGSZGUTIWFCT-ZDUSSCGKSA-N 481.836 6.519 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(C(C)(C)C)cc1 22728205 ABZXXMGNLFJILQ-UHFFFAOYSA-O 473.996 6.563 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 23855590 BZWMSONZBQDRHG-HSZRJFAPSA-N 498.674 6.046 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(-c3csc(C)n3)cc2)nnc1-c1ccc(Cl)cc1 32420631 KSTAORDLPNNIBH-UHFFFAOYSA-N 482.034 5.947 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4nc5ccccc5s4)CC3)c2)c1 71944220 JUDLSBOTZRVFPF-UHFFFAOYSA-N 481.581 5.832 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cccc(OCCCC#N)c2)cc1 108296164 BYXDVGFSESZQAQ-UHFFFAOYSA-N 466.541 5.542 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)c2)c1 195694458 ZXKMPFIGWOTPOA-UHFFFAOYSA-N 486.329 5.215 30 20 JKED CCn1cc(C(=O)/C=C/c2ccc(OCCOc3cccc(Br)c3)c(OC)c2)cn1 195702265 FAUXIRVINYFCSP-VQHVLOKHSA-N 471.351 5.028 30 20 JKED Cc1ccc(/C=C\c2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccc(F)cc3)n[nH]2)o1 210027136 ROUKBQWAINEGKB-KHPPLWFESA-N 476.537 5.026 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1CCN(Cc2cccs2)CC1 409633092 VDBNCVXOPWMEKW-UHFFFAOYSA-N 480.447 5.260 30 20 JKED C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 473760150 JFXJKEZFAVKFEC-QGZVFWFLSA-N 450.000 5.408 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2F)c1 481572476 RGYTWSAFVZOERH-UHFFFAOYSA-N 468.532 6.169 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3occc3CN3C(=O)Cc4ccccc43)cc2)c1 486477016 XLIHGFBGFHWAHH-UHFFFAOYSA-N 463.493 5.072 30 20 JKED COc1cc([C@@H](C)NC(=O)c2cc(C3CC3)nc(SC)c2C#N)ccc1OCc1ccncc1 486506368 QPMZSBAKWRMBCU-MRXNPFEDSA-N 474.586 5.026 30 20 JKED Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 491547968 ALVGUTRUPZJUCD-UHFFFAOYSA-N 460.553 5.181 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C#N)ccc2OC)c(OC)c1 493038564 VQMFOWMHYLTARB-UHFFFAOYSA-N 455.514 5.304 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1ccc(C(F)(F)F)cn1 499187895 FCIANYBUJAKBTN-CQSZACIVSA-N 498.814 5.937 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 499479046 BHLRYDRTWCFFGE-UHFFFAOYSA-N 492.366 5.339 30 20 JKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 502089265 PXQFNUROJLLLPC-UUOWRZLLSA-N 474.992 5.845 30 20 JKED CC(C)c1nc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)nn1-c1c(Cl)cccc1Cl 504334539 OIUZWLGXHQLKPZ-UHFFFAOYSA-N 496.320 5.774 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCC2)cc1Cl 506431966 VHDGGBHBMIYSLX-QHCPKHFHSA-N 475.951 5.311 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(OCc4ccccn4)cc3)c2)cc1 509910343 JKVMCBMPIYLIPB-UHFFFAOYSA-N 478.552 5.627 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)s2)cc1 510214676 WRNKPMBHFPRYMI-UHFFFAOYSA-N 481.006 5.427 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1 512271838 WCKAZQMHUPLLLR-UHFFFAOYSA-N 454.511 5.098 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 512582668 NXZIEDKHTWTCIJ-UHFFFAOYSA-N 480.549 5.398 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cn1 513186109 BQTYFPKNGSVWIZ-INIZCTEOSA-N 456.811 5.690 30 20 JKED C[C@H](c1ccccc1)n1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccccc1 515571271 BEVORIQJWIGQHB-HXUWFJFHSA-N 459.619 5.331 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccccc1Br)c1nc2ccccc2o1 515597557 MZIPBTFODVMFEO-MRXNPFEDSA-N 460.287 5.333 30 20 JKED N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(F)(F)F 516023290 ANLDOELLRIOZTK-QGZVFWFLSA-N 486.277 5.108 30 20 JKED N#CCSCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 516464741 YYXBYFPJRRJIEL-UHFFFAOYSA-N 455.608 6.267 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC 518560762 IKTQPVKAJKTRFN-UHFFFAOYSA-N 478.520 5.097 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(F)cc2Cl)cc1 518671967 MZKDCZVDOSHLOD-OSPHWJPCSA-N 496.007 5.884 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 520141517 UKLXRFNQMZVLAV-XTEPFMGCSA-N 483.568 5.290 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1Cl 520515325 TYQIGYVEGPZYDW-HSZRJFAPSA-N 488.374 6.111 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 521737030 WTJLKIQQSJWEFE-SFHVURJKSA-N 476.508 5.445 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 524433329 VHWLGLSIBSNHKO-UHFFFAOYSA-N 493.485 5.309 30 20 JKED Cc1cccc(C2(CNC(=O)C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CCCC2)c1 524675101 QXURPFOHHBNPKG-UHFFFAOYSA-N 489.563 5.586 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)n2)cc1 556583343 HEMRFQZQTXQOLL-MZLICYQSSA-N 487.625 5.777 30 20 JKED C=CCN(C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596363223 ZEQPPSZKRLORAC-IBGZPJMESA-N 486.601 5.603 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 596371049 WGQHDOJUICHATM-SFHVURJKSA-N 490.514 5.301 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)c1nc2c(s1)CCCC2 601635889 VKSAQEKABLNQRS-LJQANCHMSA-N 489.641 5.255 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)Nc4ccccc4F)c3)cc2)cc1 604458558 DMPPGIIYTHSTOU-UHFFFAOYSA-N 487.512 5.543 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 608971295 KRERMUZPEYINDG-RUZDIDTESA-N 488.012 5.951 30 20 JKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cnn1Cc1ccccc1 609060842 FRIQLDNJWLVFQD-UHFFFAOYSA-N 450.542 5.505 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(OCc4ccccc4)CC3)cc2Cl)c1 609080554 NUGQDUQEIJEZNI-UHFFFAOYSA-N 475.976 6.004 30 20 JKED C[C@@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 609222042 OZPCUHSEDVPNTE-CQSZACIVSA-N 470.407 5.717 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2sc(C)c(C)c2c1=O 612545915 NUFBCOYEIIDNIT-GOSISDBHSA-N 493.658 5.183 30 20 JKED N#C[C@H](C(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1nc2cc(C(F)(F)F)ccc2s1 613404068 JNWUPHGJNZICRX-CYBMUJFWSA-N 499.561 5.041 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613405201 VHUZQKZINOWXFK-AWEZNQCLSA-N 461.465 6.376 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)c1nc2ccccc2o1 614439643 BDBNIVKGOAPLFH-CQSZACIVSA-N 453.882 5.733 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N[C@H](CC(F)(F)F)c1ccccc1 615512229 HKPVNHPLTQBVFQ-MRXNPFEDSA-N 452.370 5.919 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)cc1 617248943 JZGPYWCALYMFAB-UHFFFAOYSA-N 454.595 5.894 30 20 JKED O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618295224 HENFNBURXNCGRL-GJZGRUSLSA-N 469.347 6.575 30 20 JKED C=CCn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nnc1[C@H]1COc2ccccc2O1 650946854 KNSXJQHIMKICOJ-OAQYLSRUSA-N 466.950 5.577 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 726277655 CYORWACANMTLGP-IDISGSTGSA-N 485.607 5.506 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 726397436 HWVRMJKDFBMVPF-GAJHUEQPSA-N 479.577 5.364 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCOCC)c1 726410016 BDHUKHWWWUPGCX-QFIPXVFZSA-N 484.021 5.017 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1F 726413637 ZCFZPUFBQZRYPH-SBUREZEXSA-N 492.576 5.259 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)cs1 726425704 CFSRPLMTXIRCMY-UHFFFAOYSA-N 463.872 5.818 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2ccc(C)s2)cc1Cl 726890070 HGKVLQLDVWHXSH-ORAYPTAESA-N 478.039 5.080 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cc1Cl 726890138 HWIIFDKWZMLJMP-GMAHTHKFSA-N 484.021 5.100 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)CC2)nc1 727343135 ZTXMRDUTRYOLTH-UHFFFAOYSA-N 467.960 5.221 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc2Cl)c1 728121314 FHVLQRKJIKJECS-UHFFFAOYSA-N 487.943 6.324 30 20 JKED C#Cc1cccc(N(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C(C)C)c1 728247219 UXNFGFBKSNAOOP-HMMYKYKNSA-N 454.642 5.152 30 20 JKED C#Cc1cccc(N(CC)C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c1 728481177 NERHSCDBMKFOJY-UHFFFAOYSA-N 466.537 5.576 30 20 JKED CN(Cc1nccn1CC(F)(F)F)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 728521524 DZNCHRXLNWQCAM-IHWYPQMZSA-N 459.312 5.155 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)C[C@H](c2ccccc2)C(F)(F)F)ccc1Cl 728654262 VCFXLLJJYVYJHP-GOSISDBHSA-N 452.860 5.175 30 20 JKED CC(C)c1ccc([C@@H](CNC(=O)c2ccccc2SCC#N)NC(=O)OC(C)(C)C)cc1 728884185 QODKQTKRYKDIPB-OAQYLSRUSA-N 453.608 5.421 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3scnc3C)C2=O)c1 729146186 POMBERIQHNILJN-NRFANRHFSA-N 496.633 5.676 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 729146782 YDVHTTMNUZUNNW-SFHVURJKSA-N 488.997 5.405 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2ncccc2C)C1=O 729631461 JAEKGGKXDTYHJS-SYGSHIDXSA-N 494.642 5.050 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CCc2nc(C(C)(C)C)cs2)C1=O 729634542 NTNCLRJXYWBBFO-OAHLLOKOSA-N 499.489 5.058 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccccc1 729891152 DFMFPCBBBUOCCG-ROUUACIJSA-N 469.994 6.172 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C2CCC2)c1 730461843 SPASDGZWAORRGF-OAQYLSRUSA-N 485.009 5.120 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 731076931 CSZDQHHYQJTDJO-COXVUDFISA-N 463.386 5.673 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 732037891 FLDPRBDNBKMDLB-OAQYLSRUSA-N 451.479 5.062 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(CCc3ccccn3)C2=O)cc1 743524381 JPSUXAQZWVUQNH-QHCPKHFHSA-N 476.577 5.041 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 745313915 ZSWQEVGDPZFIKX-KDOFPFPSSA-N 460.477 5.480 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)CC2CCCC2)ccc1Cl 746397890 RPTGSHYKDJOEBK-UHFFFAOYSA-N 481.445 5.637 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cscn3)C2=O)cc1 747601453 VFNYJOSZCFACOZ-OAQYLSRUSA-N 480.615 5.092 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1F)C(=O)Nc1cccc2ccccc12 748003760 JIVVYPKBFFQWOL-GOSISDBHSA-N 471.351 5.322 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 837296471 OMJGHYHULAEXBP-VFNWGFHPSA-N 499.423 6.110 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H](C)c3cccnc3)C2=O)cc1 837302123 UUPSLLDYGLSIAU-HXOBKFHXSA-N 492.576 5.341 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837386881 CZJYSQGVHKUVLJ-HTAPYJJXSA-N 462.550 5.251 30 20 JKED C=CCN1C(=O)N[C@H](c2ccc(-n3cccn3)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 912801264 GQKUOFGDKUIJCC-JOCHJYFZSA-N 481.478 5.056 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)NCc2cccs2)cc1 912837689 DTYWOMOCKLUWCF-UHFFFAOYSA-O 466.652 5.142 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)N[C@@H]2C[C@H]3CC[C@H]2C3)[n+]2ccc(C(C)(C)C)cc2)N=C1C 912843557 MFHHBXLDAVVLRA-IRFCIJBXSA-O 466.671 5.255 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cccc1C 914539408 AOCNHCFPJXDVGC-NRFANRHFSA-N 492.576 5.007 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1C 914545421 IRPJLORNGJLOKM-QFIPXVFZSA-N 492.576 5.007 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914545602 DWVOAJYJHQZTRN-RBBKRZOGSA-N 485.556 5.040 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 914692058 UCVMKLQRIDNORP-VFNWGFHPSA-N 469.513 5.149 30 20 JKED N#C[C@H](C(=O)CN1C(=O)CSc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103181 QKKCSAPFUCMTST-CQSZACIVSA-N 474.394 5.432 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1cc(Cl)cc2cccnc12 915467644 OUQKVBQFZHCUTQ-UHFFFAOYSA-N 475.726 5.043 30 20 JKED Cc1oc(-c2cccs2)nc1C(=O)OCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 915560912 XBKDHRVXOSSKGJ-UHFFFAOYSA-N 486.553 5.048 30 20 JKED C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)C1 915763922 MJDOCOPGCTXESW-VDWGHMIBSA-N 494.639 5.075 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OCc1cccnc1 915945179 QUQKSOCFUMMXEH-UHFFFAOYSA-N 456.358 5.397 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cccc2ccccc12 916217883 XZFWTGLWEOIEBD-HSZRJFAPSA-N 475.570 5.003 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(NS(C)(=O)=O)c1 916708724 IBPMEUOWZFGUPR-KSFYIVLOSA-N 482.993 5.250 30 20 JKED CCCCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916846494 WUNUHPRUJZZETR-LJQANCHMSA-N 461.587 5.458 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 916847625 NDFNLCQVJDUKFW-MRXNPFEDSA-N 455.370 5.825 30 20 JKED N#C[C@H](C(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1)c1ccc2ccccc2n1 916849549 XUYPVSLMKIVUFF-BKMJKUGQSA-N 498.380 5.274 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916911698 WKRXRLNGTHFUIW-GOSISDBHSA-N 458.823 6.112 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 916942302 JFCMFPWTZBCPIE-HXUWFJFHSA-N 497.429 5.031 30 20 JKED N#C[C@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 916975305 BUXBLQDGRCNZTG-QGZVFWFLSA-N 457.780 6.134 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)c1ccccc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917029789 ADVZUWQCIWOZAD-YKIYXUSWSA-N 459.615 5.092 30 20 JKED N#C[C@@H](C(=O)CSc1nncn1-c1cccc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 917042505 FPXXNGFRUKPNIM-AWEZNQCLSA-N 493.923 5.518 30 20 JKED C=CCn1c(SCC[S@@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccccc1F 917175353 FTNDCLYNNIITNO-MUUNZHRXSA-N 456.395 5.477 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)cs1 917560282 VDMWPOYDYFKQHU-LCYFTJDESA-N 463.578 6.162 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(C#N)cc3)C2=O)c1 917675486 LAKRRGZNARVJTR-DEOSSOPVSA-N 468.582 5.336 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2C#N)cc1 917707261 VJVLHQCGDKJQNX-HSZRJFAPSA-N 499.983 5.244 30 20 JKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(COc3ccccc3C#N)o2)cs1 919513428 USFUVSNZXXQDKF-UHFFFAOYSA-N 473.510 5.228 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(Cl)c4)CCOCC3)n2)cc1 920144685 WJVLKURUVFZKPR-FQEVSTJZSA-N 452.963 5.397 30 20 JKED N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc(-c2c(F)cccc2F)cs1 920806047 RRDXLVJRIGCVTJ-MRXNPFEDSA-N 458.917 5.666 30 20 JKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)NC1(c2ccc(NC(=O)C(C)(C)C#N)cc2)CCC1 1785936500 OTLDMXWPZYPJCX-UHFFFAOYSA-N 476.577 5.331 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(F)ccc4Br)cc3)CCC2)C1 1785957009 MGVCVUJHFCGVOA-UHFFFAOYSA-N 457.343 5.302 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786697243 SJCSERMQCQUKPB-LJQANCHMSA-N 486.012 5.434 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787949863 OKDAIZJPNVGFHL-XXKTVHSTSA-N 488.632 5.299 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)[nH]c2c(Cl)cccc12 1788501460 HBTAHQXLFBKQRF-STBIYBPSSA-N 492.023 5.349 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)CCC1 1788689775 ZVNQDTVHAFDGQS-UHFFFAOYSA-N 468.479 5.215 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CCC2)cc1 1789495107 ZURKCMSZBIRYCW-XMMPIXPASA-N 475.564 5.142 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)F)no3)CCC2)cc1)c1ccccc1 1789600579 OCVKWYBGFYYUCO-NRFANRHFSA-N 477.511 5.557 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5cccnc5)cc4)CCC3)cc2)cc1 1790290375 MBIXWTHXQHBXSF-UHFFFAOYSA-N 472.548 5.682 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5ccoc5c4)CCC3)cc2)c(C#N)c1 1790474510 JEOKSTFTBFGKND-UHFFFAOYSA-N 479.536 5.303 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)cc2n1 1790706245 RRTDIKFEHSJFIV-UHFFFAOYSA-N 464.525 5.264 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)c(Cl)c1 1790765832 HTSUHVUANRDZGW-UHFFFAOYSA-N 471.935 5.785 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cc1OC 1790767867 LXLLPHKDWODXNW-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCC=C4F)CCC3)cc2)c(Cl)c1 1790768771 VJTIPEWSFQSRHS-VWLOTQADSA-N 469.919 5.705 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791712368 SRXIFGFSKMETHX-XUZZJYLKSA-N 495.664 5.536 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1793051560 OPUTXWIARIGKDA-KOUNCHBCSA-N 473.642 5.917 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)cc1 1799302976 VABDFLSCGCHKFW-KOUNCHBCSA-N 484.987 5.148 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(F)F)cc2F)[C@H]1c1cccnc1 1802495875 NQAQJUDSJOMUIF-GCJKJVERSA-N 489.538 5.134 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)oc3cc(O)ccc23)[C@H]1c1cccnc1 1802499425 SBKZAVURHNPBRV-CPJSRVTESA-N 475.589 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802832282 TXVVNJBCYSOHRP-YGKWIVMXSA-N 466.025 5.313 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1803091061 KYLBEWFNYOBKMT-AUSIDOKSSA-N 489.513 5.328 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803222072 LPJDGEMUADJXPM-PYMKTYCGSA-N 493.051 5.265 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccnc2-c2cccc(F)c2)C3)c1 1803678375 AKRYXAGYACTWRY-TZAMREQXSA-N 482.559 5.080 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3sc4ccccc4c3Cl)CC2)C1 1806675940 ACCBMUONUUFWKX-UHFFFAOYSA-N 463.068 5.319 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)C2)CC1 1807427936 NIHDFTYNETWEAS-VWLOTQADSA-N 459.634 5.603 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1809107722 MWFPKXVBKPUSBE-REWPJTCUSA-N 476.646 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1810175307 VDMDAUDBFSTDRK-YPZXTKLSSA-N 495.623 5.962 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)c3ccncc3-c3cccc(C)c3)C2)CC1)C(F)(F)F 1810345334 WKHCQHYEORZEQD-UHFFFAOYSA-N 471.523 5.020 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1812668047 PKFGBQPAUWIQMV-VGOFRKELSA-N 486.950 5.056 30 20 JKED CC#C[C@@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1)c1ccc(O)cc1 1813122461 UMJYPBWMDAJSAA-XTIYFVLHSA-N 489.660 5.207 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)s3)[C@@H]2c2cccnc2)c1 1813864951 JDJDYSIUXUQOPG-AYPBNUJASA-N 479.005 5.057 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c1 1813882468 HTCHKCBECNKEQN-LVWCUCSXSA-N 492.623 5.221 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])[nH]n1 1819557335 HWFNTBJLODXOLE-IWGBCORSSA-N 465.554 5.016 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(C(F)(F)F)n2)n[nH]1 1819932021 CVHGCGKIOCBWGQ-HNNXBMFYSA-N 469.533 5.183 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1)c1ccc(O)cc1 1821538187 FRCJOJDSWZUIAO-SQJMNOBHSA-N 496.567 5.365 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2c(C)cccc2C)[nH]n1 1821986674 UPBNPKBWLFFIBA-SFHVURJKSA-N 462.566 5.022 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)[nH]n1)c1ccc(O)cc1 1822465106 LHGAHBPDXVEMDH-WBWMCNGVSA-N 488.563 5.015 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)[nH]n1)c1ccc(O)cc1 1822469514 NAFQCYZRMHBYBK-NOXFTYBFSA-N 490.629 5.170 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)c1 1823210353 AGDYLYZQYPFXNI-XAPCMULXSA-N 459.575 5.118 30 20 JKED Cc1ccc(S/C=C/C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(CC#N)cc4)sc3C2)cc1 1823499175 YVEQXTFEUYQYFR-GUCAUAJOSA-N 488.638 5.049 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 1824141017 PVRKCWGQSQNIRP-NRFANRHFSA-N 463.544 5.102 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824248158 PIJIVQKRUSDAIA-VPUSJEBWSA-N 489.100 5.682 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824632264 FYLJPALRXLUJCQ-LJQANCHMSA-N 465.972 5.126 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1824936656 KILOYKNXUUYMHG-LXFBAYGMSA-N 471.645 5.407 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827735009 KZIAREOKHQLTMV-QHCPKHFHSA-N 467.009 5.637 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828526561 AXWNSMVEQGSAQH-HHHXNRCGSA-N 475.633 5.251 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)[nH]c12 1828545363 QLYIEHPRNDGJIY-HHHXNRCGSA-N 482.628 5.214 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)[nH]c12 1828545780 GWNIJMZQXJNRCG-AREMUKBSSA-N 491.752 5.761 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c(F)ccc(F)c2F)CC1 1828822095 WPPRKNMWUDLOBN-WMZHIEFXSA-N 462.556 5.035 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCNc3ccc(C)cc3C)CC2)c1 1828984778 OPCWUZRXEBFCTL-MUUNZHRXSA-N 486.660 5.219 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)c1 1829490941 HJMHAJHNKRUYCH-LJAQVGFWSA-N 492.623 5.476 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)CC1)C(F)(F)F 1829496332 RNJPOBSNWDZHGC-HSZRJFAPSA-N 471.523 5.100 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1829647834 UHYGNQDGJYNVLG-AREMUKBSSA-N 479.665 5.161 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)CC1 1829683952 UBABRHGHHPKJAC-MHZLTWQESA-N 472.633 5.145 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)C)nn2CC)CC1 1829821234 BIOIEVLNCDCJLP-HSZRJFAPSA-N 456.675 5.252 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1829994153 MBVVGTPLJUSZSN-DEOSSOPVSA-N 483.534 5.053 30 20 JKED Cc1cc(C)n2ccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2n1 1831052764 IPDHGOTVXWOGSC-HRFSGMKKSA-N 497.643 5.125 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)CCC1 1831060714 QRSBODDYFKDUIK-XMMPIXPASA-N 469.585 5.513 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831238559 YNABWEMURAAWMQ-AVRDEDQJSA-N 450.545 5.091 30 20 JKED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)CC1 1831325012 NYRIURGNUPQYRJ-CBIUGAAKSA-N 489.635 5.291 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1832627556 FXNIXCMJFZZEGF-SBUREZEXSA-N 499.442 5.563 30 20 JKED CCOc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633060 BPRFGPNNKWYRDR-ZBLYBZFDSA-N 473.617 5.259 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSc3ccccc3)CC2)c1 1832635206 WWJSIDCTFWXQKN-HFZDXXHNSA-N 475.658 5.339 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CCC1 1832787316 UQAOIQVTTNIEGO-LJQANCHMSA-N 482.839 5.574 30 20 JKED O=C(C1CCC(C(F)(F)F)CC1)N1CC2(CCCN2C(=O)c2ccc(F)cc2C(F)(F)F)C1 1846883486 HPLDULIAQOXUPF-UHFFFAOYSA-N 480.424 5.030 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 10146013 PWRLMJMZSUQXMV-UHFFFAOYSA-N 466.916 5.458 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2cccc(O)c2)c(C)c1 10168384 RQNBGLILVYSMDG-UHFFFAOYSA-O 456.385 5.110 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172818 FDWJQTHMCUWLSG-UHFFFAOYSA-O 491.530 6.202 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)c1C 10179086 RWZJFIAKFOECDO-UHFFFAOYSA-O 477.393 5.185 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179187 HYINVJBSFIDVGY-UHFFFAOYSA-O 466.360 6.172 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1ccc(C(C)C)cc1 11262971 JIMPMWUXYZDISV-UHFFFAOYSA-O 461.607 5.482 30 20 JKED Cc1ccc(-c2nn(Cc3ccccc3)cc2/C(O)=N/c2nc(CN3CCOCC3)cs2)cc1C 21128883 FNMZVQLHHMBZIU-UHFFFAOYSA-N 487.629 5.140 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nc2sc3c(c2c1=O)CCC3 28381438 PPOMXYNSCKGCQK-UHFFFAOYSA-N 453.633 5.295 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 32785661 KJCJHLOCVIRPTH-VQTJNVASSA-N 460.647 5.292 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 107659283 LKLDHFHKHGBSQM-VWLOTQADSA-N 454.961 5.979 30 20 JKED Cc1ccccc1-c1cc(C(=O)Nc2nc(C)c(SCC#N)s2)c2cnn(C(C)C)c2n1 107915395 GLFYRIHKYXOPNO-UHFFFAOYSA-N 462.604 5.621 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccccc1F 195569228 XMLGGFMOVORAHA-LLVKDONJSA-N 485.799 6.350 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)CC1 195632206 GIKFGASEPTUSSY-HHHXNRCGSA-N 450.542 5.316 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc12 195662358 GSVLXOGTHFFSNF-GOSISDBHSA-N 475.986 6.057 30 20 JKED N#C[C@@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc(-c2ccncc2)cs1 195662378 SUGVNFZYEGKZCL-FQEVSTJZSA-N 465.538 5.010 30 20 JKED C[C@@H](S[C@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 195696181 BYAHWLFILZGPEX-HTQZYQBOSA-N 459.358 6.102 30 20 JKED CC(C)n1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc2c1=O 247974369 FBKQAJZHOLFLRH-SFHVURJKSA-N 460.584 5.069 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc2sccc2c1=O 253491472 MSTDLAYSLPOYIE-GFCCVEGCSA-N 472.592 5.026 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2cccnc2)ccc1Cl 303060562 LQIVWPIJNXVVBQ-QGZVFWFLSA-N 487.984 5.089 30 20 JKED Cc1nc(COc2cccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)cs1 303130638 BVNCWZFEWFPLIJ-AREMUKBSSA-N 469.566 5.604 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 303359373 POZWQONKMMTSKQ-CQSZACIVSA-N 482.959 6.003 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cn(-c2ccc(F)cc2)nc1C 409575712 LYXOTVZGGOWDSQ-UHFFFAOYSA-N 475.337 5.119 30 20 JKED Cc1nc(NC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)sc1SCC#N 409817028 FIBYAHCIUFVFTM-QGZVFWFLSA-N 492.395 5.728 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nnc(-c2c(Cl)cccc2Cl)o1 409990238 CFCZUJPZQDNJDK-UHFFFAOYSA-N 492.363 5.831 30 20 JKED N#Cc1ccc(CNc2cc(NC(=O)c3ccccc3I)ccc2F)c(F)c1 477136191 RQIMLTJEARSFSI-UHFFFAOYSA-N 489.263 5.305 30 20 JKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481683445 KDOZQJSDPRKGNG-UHFFFAOYSA-N 460.509 5.337 30 20 JKED CC(C)[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)S(=O)(=O)C1CCCCC1 482812994 OMNHASDGNSOGMA-LADGPHEKSA-N 473.038 5.706 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cncc(Br)c3)s2)c(C(F)(F)F)c1 487359456 YLDFYQULXISINA-UHFFFAOYSA-N 467.270 5.034 30 20 JKED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nc(-c2c(F)cccc2F)cs1 497901576 IMXKYTVWNGHADG-KRWDZBQOSA-N 472.538 5.295 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)nn2Cc2ccccc2)nnc1-c1ccc(Cl)cc1 498529967 QBSNPBMIHPLRRH-UHFFFAOYSA-N 479.009 5.069 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)c2)cc1 501424039 MSSMUQUCOQBHDU-UHFFFAOYSA-N 477.446 5.183 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 502139243 NJVHMSDDVGKDRN-HNNXBMFYSA-N 493.423 5.373 30 20 JKED Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)cc2)c1 502837784 ALQOQYCBDVTRQL-UHFFFAOYSA-N 473.985 5.933 30 20 JKED O=C(NCc1cc(F)cc(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503201127 HTMRXNZBJCNKOF-UHFFFAOYSA-N 484.734 5.167 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1Cl 504421891 MVNPFNMHHAQUFQ-BEFAXECRSA-N 450.892 5.001 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(OC)c1 509901857 XHUGOFXULKSUPG-AREMUKBSSA-N 471.557 5.718 30 20 JKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510046876 ZPCGDEWQMVDTHK-NRFANRHFSA-N 467.356 5.751 30 20 JKED C=CCSc1ccccc1NC(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O 512306820 UKPZTQHSEPXUJM-UHFFFAOYSA-N 463.584 5.050 30 20 JKED C=CCn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1-c1ccccc1 515810683 WBIDPULCHUMHOX-UHFFFAOYSA-N 460.382 5.297 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1 516347073 YFSVXCSNCZTYBL-LLVKDONJSA-N 451.356 5.845 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(Cl)c1OCCC(C)C 516713621 CFCQSKOYKXGTOT-IBGZPJMESA-N 479.989 6.259 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 518143629 PDMCJILVDDTSQG-MRXNPFEDSA-N 494.414 6.205 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3cc4c(cc3Sc3ccccc3)OCCO4)CC2)c1 519200536 QIDJXVCAMDLRDQ-UHFFFAOYSA-N 487.581 5.556 30 20 JKED Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccc(Cl)cc2)n(CCC#N)n1 519444926 MCICZSBCFMNDBS-UHFFFAOYSA-N 495.974 5.471 30 20 JKED N#Cc1c(CCCNC(=O)Nc2cccc(Oc3ccccc3)c2)nn(-c2ccc(F)cc2)c1N 521367834 JQKBFQGWGPPBAJ-UHFFFAOYSA-N 470.508 5.012 30 20 JKED COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3SC[C@@H](C)C#N)co2)cc1 521654042 MLDCPRIELDUEIC-INIZCTEOSA-N 453.589 5.474 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1cccc(F)c1)c1nccn1C 524439448 XIXGPNNKGZEIBQ-RUZDIDTESA-N 469.520 5.229 30 20 JKED C=CCn1c(SC[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)nnc1-c1ccncc1 588635094 MSMYDHKYFHMYJU-SFHVURJKSA-N 459.015 5.143 30 20 JKED C=CCN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)[C@H](C)c1cccc(-n2cnnn2)c1 596104219 WNRZBYRQUPXWMH-OAQYLSRUSA-N 462.557 5.055 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)n1 602021310 XSTUZQUMGLZPCE-NRFANRHFSA-N 473.545 5.608 30 20 JKED CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)cc1 604218109 JIJCGUWADUOTTO-QHCPKHFHSA-N 476.964 5.631 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)o1 608965581 ZQJXTTUPTAMEQH-JOCHJYFZSA-N 457.313 5.251 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc2Cl)c1 609062970 NHXGULMOOWIPQB-NRFANRHFSA-N 491.950 5.421 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 609078703 JPEFQEBXPRWSBT-RUZDIDTESA-N 469.541 5.586 30 20 JKED COc1cc(C(=O)Nc2ccc(F)c(C#N)c2)ccc1OCc1ccc(Br)s1 609102888 ISKANQSQGLLYJT-UHFFFAOYSA-N 461.312 5.361 30 20 JKED Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)n1Cc1ccccn1 609110648 NLMFVPSUKRQVAN-UHFFFAOYSA-N 454.505 5.390 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)CC1 609137626 JNFWJOOTOQZECN-UHFFFAOYSA-N 465.916 5.237 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 609398721 MKSYMUQDMFOXBA-AVRDEDQJSA-N 487.069 5.565 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1ccccc1 609434971 HWOLHVYXIYCEMJ-VQTJNVASSA-N 475.614 6.551 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1OCc1ccccc1 613407261 NHKXUVBBVCIBCN-GOSISDBHSA-N 478.957 6.036 30 20 JKED C=CCc1cc(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc(OC)c1OC 622949868 WFRHSPGGWKTGMA-HUUCEWRRSA-N 468.438 5.141 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1Cl 642044753 YEOPWWGGIXCMMJ-GFCCVEGCSA-N 483.371 5.686 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643049847 QWKCRRAZJGSIQW-QLPKVWCKSA-N 488.453 5.112 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CC2)cc1Cl 726408985 KHBBLKPDKIYETP-JOCHJYFZSA-N 474.973 5.488 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccn2)cc1 726414958 GRHWCOYUKWSPJP-HSZRJFAPSA-N 492.576 5.168 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(OC)c(F)c2)cc1 726576602 XNGRRPQNTMDTOA-UHFFFAOYSA-O 494.612 5.414 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)COc1ccc2ccccc2c1Br 726754872 VMDWDKFZYWMTFU-UHFFFAOYSA-N 460.331 5.117 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)cc1Cl 726891816 QQTHZCLIPHJVFV-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2cccc(C)c2)c1C 727252859 QSFDTAFFMWEKNA-XMMPIXPASA-N 489.645 5.297 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 728006686 XYVYUUAVCPZWDR-UHFFFAOYSA-N 457.530 5.414 30 20 JKED N#CCOc1ccc(CNC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 728023939 BWVJISKPEWUMTI-UHFFFAOYSA-N 457.961 5.494 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(CCCCC#N)C2=O)cc1 728777359 KKDQSOZOOLPUOZ-QHCPKHFHSA-N 476.602 5.160 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Oc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)c1 729109736 WPNOJRCPGXXRFY-XMMPIXPASA-N 467.481 5.258 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cc(F)ccc2F)c1 729634501 MZTIFYQPQWHLFY-JOCHJYFZSA-N 499.514 5.273 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(CC)cc2)N(Cc2cocn2)C1=O 730720737 UQYDJDAVMJCMSX-QHCPKHFHSA-N 492.601 5.186 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCOCC1CC1 730942372 NWKFTRNXSYCXHE-NRFANRHFSA-N 490.000 5.174 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Br 731069802 IWBMJJFIQNGSAR-LBPRGKRZSA-N 467.772 5.150 30 20 JKED CSc1ccc([C@@H]2NC(SCc3ccc(OCC#N)cc3)=NC(C)=C2C(=O)OC(C)C)cc1 731156099 GYXLJORIEZWJDP-QHCPKHFHSA-N 481.643 5.470 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)cc1 731305951 QNTKHGRTUNXHKC-NRFANRHFSA-N 481.599 5.013 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c1 731312158 IODOYXCDSMLHOP-KSFYIVLOSA-N 481.549 5.024 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(F)cc1F 746697954 QOMULJGJBGLLDE-NRFANRHFSA-N 475.561 5.050 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2cc3ccccc3[nH]2)C1=O 746698290 ZERIOPXWDQIQPY-RUZDIDTESA-N 498.608 5.645 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCCOC2CCCC2)C1=O)Nc1ccc(F)cc1F 747042696 HKEGHNXSQVEDIL-QFIPXVFZSA-N 487.572 5.274 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CNC(C)(C)c3ccc(Cl)c(Cl)c3)nc12 747793174 ZWJNSJYFAIFULV-UHFFFAOYSA-N 474.417 5.155 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc([N+](=O)[O-])c(O)c2)C(=O)c2ccccc2)c(Cl)c1 748149156 ZRBIXUVVBUQIQW-PDGQHHTCSA-N 450.878 5.476 30 20 JKED N#C[C@H](Cc1ccccc1)OC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 750063996 OOIGHJXMNZVXSZ-IBGZPJMESA-N 475.353 5.086 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1-c1ccccc1 750910612 MXXIWJXLLKSIKZ-HSZRJFAPSA-N 459.571 5.342 30 20 JKED COc1ccc(-c2nc(SCc3ccc(C(=O)Nc4ccccc4)cc3)nc(O)c2C#N)cc1 824952481 BJACLSOQZKDXLI-UHFFFAOYSA-N 468.538 5.274 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1[C@@H](C)c1ccccn1 837299009 BCDFQDLQOMLHLI-HTAPYJJXSA-N 489.557 5.020 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 838279211 DMBTVNSSNQTZLL-HXOBKFHXSA-N 476.577 5.505 30 20 JKED COc1cc(C#N)ccc1OC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 858405851 SNQYQMVGFGKCHU-UHFFFAOYSA-N 464.403 5.053 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2sccc2C)C1=O 914546940 TYWMUSONGHCTQB-FQEVSTJZSA-N 465.600 5.226 30 20 JKED N#C[C@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc2cc(C(F)(F)F)ccc2s1 915104065 JMOVRZHVCPQZPY-LLVKDONJSA-N 468.382 5.560 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)c12 915575118 VLHUMXRGOIGHEP-UHFFFAOYSA-N 489.576 5.253 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2Cl)cc1 915656361 SXAOQVHXZDHFMO-QHCPKHFHSA-N 489.406 6.763 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc(OCc2cccc(C#N)c2)c1 915944137 ONGOSHDOXOBMHC-UHFFFAOYSA-N 476.561 5.766 30 20 JKED COc1cc([C@@H]2NC(=O)N(Cc3ccccc3)C(c3ccc(F)cc3)=C2C(C)=O)cc(OC)c1OC 916159001 CHLHSBLMIGLDES-VWLOTQADSA-N 490.531 5.118 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 916211503 OUTPTSXWTUHXRV-NRFANRHFSA-N 481.961 5.296 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ncc(C(F)(F)F)cc2Cl)cs1 916286404 BHHHVFKFMPBSEP-UHFFFAOYSA-N 474.295 5.994 30 20 JKED N#CCOc1cccc(NC(=O)c2ccccc2SCc2ccc(Br)cc2)c1 916410182 VAHBCOMEHXCGDF-UHFFFAOYSA-N 453.361 5.896 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 916903229 QBBJPZNDZZXNMP-IBGZPJMESA-N 485.371 5.003 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccc(OC)c(Br)c2)cc1 916915223 HKBPWNZXZRPBIN-LJQANCHMSA-N 457.368 5.080 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc2)c(C)c1Br 916919337 WPUDNQXOJREBSI-NRFANRHFSA-N 487.357 5.366 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 916927937 QGGUXKKRJZNOHO-GOSISDBHSA-N 469.324 5.542 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916931335 QHBPPWDSFGBSON-FQEVSTJZSA-N 450.947 5.602 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 916956238 YXIMRCSRJSUYHR-UTKZUKDTSA-N 469.545 5.747 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2)n1 917681514 PBVLHLYOBNZISA-OAQYLSRUSA-N 464.978 5.204 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C#N 917702217 DKQLTWOLWRLYGU-LJQANCHMSA-N 474.508 5.193 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CCCC1 917703571 OWQVABPXLDEUGJ-HXUWFJFHSA-N 497.418 5.224 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1c(F)cccc1F 917703612 NSARXWCVWQYSNX-HSZRJFAPSA-N 490.535 5.039 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)c4cc(C)n(C)n4)c3C#N)C(C)(C)C2)o1 919590293 NVGPHYOUQYNCCP-VQHVLOKHSA-N 490.585 5.137 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 920109252 NCRIAVNSEJPNRE-MRXNPFEDSA-N 458.008 5.540 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140923 KSAFTPPVDVLUGY-QFIPXVFZSA-N 471.973 5.557 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccco2)c1 920170167 KEUXXTHUCXBQJW-JOCHJYFZSA-N 491.569 5.064 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 920199791 AFBPEFFHFUOOTR-SANMLTNESA-N 481.502 5.465 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)cc1 920286919 XOHJPJKVCVNDPZ-RUZDIDTESA-N 471.520 5.723 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 920746545 XQRYJQOANJNTHI-UHFFFAOYSA-N 469.541 5.014 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(OC)c1 920870265 RSGFLWGUDIHXPI-KOSHJBKYSA-N 491.613 5.091 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 928966581 FXDORMSZKVHMFZ-CTNGQTDRSA-N 467.660 5.486 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)c(C)c1Cl)C2 1779275625 FUNQMBGELQPLGH-NXQMDHLFSA-N 479.448 5.198 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)cc1 1785794714 BHGNZCFYCSGQOH-UHFFFAOYSA-N 457.496 5.358 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Br)CCC2)cc1 1786365724 OGEVXPONPWFYHI-UHFFFAOYSA-N 489.385 5.319 30 20 JKED Cc1ccncc1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1786878022 LMMKQIDMQYELPG-UHFFFAOYSA-N 472.976 5.296 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312355 YLPHLGSQVSQAEG-UHFFFAOYSA-N 466.006 5.891 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(C)snc4s3)cc2)CCC1 1788416918 MDRRZBUCLAQUOR-AWEZNQCLSA-N 455.605 5.005 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c[nH]nc5c4)cc3)CCC2)c1 1788451441 PGJZIXYJIDJAIC-GOSISDBHSA-N 463.541 5.251 30 20 JKED Cc1c[nH]cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1 1788730895 BDQZTZKOZZZWNF-UHFFFAOYSA-N 477.362 5.019 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982723 MBVZHUNHQLZPAG-INIZCTEOSA-N 451.954 5.160 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789170228 POSLBRPGJICBHA-FQEVSTJZSA-N 483.653 5.370 30 20 JKED CC(C)n1ccc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)n1 1789508051 GOPZNLHYGAYDHM-UHFFFAOYSA-N 464.686 5.263 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)ccc1O 1789508138 PWADQDSHTNEPIL-UHFFFAOYSA-N 478.665 5.200 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1 1790468576 ACYZNSCSBOAQIL-XUZZJYLKSA-N 493.648 5.174 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cccc(C(F)(F)F)c4F)cc3)CCC2)c1 1790649822 JSDCAZHBJLQAOP-UHFFFAOYSA-N 470.426 5.106 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCC1 1790650278 VNTQPJGCJZTJKC-OKCVXOCRSA-N 490.501 5.064 30 20 JKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CC3)CCC2)cc1 1790692550 MZCPJCMMKLLMNA-UHFFFAOYSA-N 474.561 5.085 30 20 JKED C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1)Oc1ccccc1 1791144141 KMCHYGQKSABLTN-NRFANRHFSA-N 467.569 5.092 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)N4CSCSC4)CCC3)cc2)c1 1792124678 CTURCUZIUTWVEX-RTBURBONSA-N 494.686 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1)C2 1798591728 DYXCQFFWGQIYJN-BKFWDETESA-N 497.680 5.298 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Cl)cc(C(F)(F)F)c1)C2 1798594376 BXTTXDRBDUYPCI-ACDBMABISA-N 470.963 5.532 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]31)C2)c1ccc(O)cc1 1802424002 HJJAPIJXGSMZQW-NCVDBULUSA-N 476.661 5.134 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnc4ccc(Cl)cc4c2)C3)c1 1803684796 OFPUJBIIGSJJBW-AGCMCZDNSA-N 472.976 5.081 30 20 JKED Cc1ccc2c(/C=C/C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(OC(C)C)c(C#N)c3)c[nH]c2c1 1803843885 SCSROKKTRNHFCD-KOOJPFLFSA-N 496.611 5.100 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCCC(=O)Nc3ccccc3)CC2)C1 1804859770 KQZPODWKMSILNM-UHFFFAOYSA-N 467.654 5.019 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1 1805858975 UKOPZVNHLYCXEK-IBGZPJMESA-N 482.049 5.237 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)C1 1806678838 UDRLAHNGYWFONK-UHFFFAOYSA-N 474.976 5.123 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC4(CCN(C(=O)CCc5ccc(C#N)cc5)CC4)C3)c[nH]2)cc1 1807422289 FPMQSQZMYVNRKF-UHFFFAOYSA-N 494.639 5.339 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)C1)c1ccccc1 1809159740 OLDYTCIJPLOLDR-LPKBNIHUSA-N 492.685 5.548 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1809204753 MVTLCPQEXHVMAT-OFNKIYASSA-N 479.621 5.747 30 20 JKED CC[C@H](C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1ccccc1 1810275331 VBEFVYNMMPJOHU-FULLSBAXSA-N 489.736 5.332 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1810502861 MKTVZCGBRDWKKA-RDPSFJRHSA-N 484.040 5.446 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@H]3CCN(C(=O)CCC#N)[C@@H]3c3cccnc3)cc2)cc1 1810602702 VSYGDCYFKQOJRB-PQHLKRTFSA-N 494.639 5.715 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(Br)c2)[C@@H]1c1cccnc1 1811046331 KEVDLPGWEMAGAL-KLHJMIIUSA-N 490.829 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1811103643 CXDKNTHQHJNPLE-QFBILLFUSA-N 480.461 5.762 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(Cl)cn3c2C)[C@@H]1c1cccnc1 1812258485 WITSICMIALIEOU-YKSBVNFPSA-N 494.039 5.003 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1812451270 OADHEIXNBFXOET-AVRDEDQJSA-N 496.385 5.238 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1812587738 OUHVIWOJQFINHP-SGXKBVARSA-N 468.022 5.482 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1812809064 LJSXPUQNBJPPSK-BKMJKUGQSA-N 495.067 5.923 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)[C@H](c3ccc(F)cc3)C(C)C)[C@@H]2c2cccnc2)c1 1812962167 XTOBJKKJHBOVPI-WIRXVTQYSA-N 498.602 5.160 30 20 JKED C[C@]1(C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CC=CCC1 1813587955 UCNPHXCQFVBSDA-WIOYSNFSSA-N 496.533 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813973241 QXMLELTZJVFLBK-VGSWGCGISA-N 492.422 5.840 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@@H]3CCN(C(=O)CC#N)[C@H]3c3cccnc3)c(C)c2)cc1 1813979606 BNRDJIRDTHQBAK-FIBWVYCGSA-N 494.639 5.633 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[nH]n1 1814827531 RKQBQCZFDOJJHM-RUZDIDTESA-N 487.604 5.488 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815536092 MRXJQPKEJCGOAM-UUEFOYDDSA-N 460.500 5.346 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc(Br)ccc3c2)n[nH]1 1818984915 IKWDQCVGFUPVKN-JOCHJYFZSA-N 493.405 5.435 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](C)Oc2ccccc2)[nH]n1 1819309852 JVLXXHPBPZMHJO-KJXAQDMKSA-N 450.583 5.028 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)[nH]n1 1819555701 XAVNCHCUMUHKDT-INIZCTEOSA-N 464.397 5.410 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820149284 OJSAFZXNIGQFIF-YKSBVNFPSA-N 481.600 5.848 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(C)C)CC3)[nH]n2)c1 1820209089 WVPRUYVOYVDIBN-YOSAUDMPSA-N 477.609 5.058 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2OCc2ccccc2)n[nH]1 1820237912 TYBIBFWDOREUAV-HSZRJFAPSA-N 490.991 5.361 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)n[nH]2)cc1 1821087322 VMHWNUZELWYIOV-FQEVSTJZSA-N 485.441 5.059 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)c[nH]2)cc1 1821178307 NWZNUBONLADRCL-SANMLTNESA-N 492.583 5.399 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)[nH]n2)c1 1821271224 SYEWQJFKQUQOMV-JOCHJYFZSA-N 490.926 5.175 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)cc(C(F)(F)F)c1 1821308674 ABDMPDCCDITMAJ-DPZZJQGRSA-N 499.518 5.381 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823215107 MSHWRAPXKITYHN-FIKGOQFSSA-N 493.658 5.585 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1824385412 AVFRXSOZFYQEAF-CUNXSJBXSA-N 489.685 5.291 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)CC2)cc1 1824822728 KIDJQZUFVYZWTM-KYGIIIMWSA-N 491.582 5.102 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824838896 BDFGZJDTXFXXRH-QOWNCMNNSA-N 482.612 5.293 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c1 1825034857 OUZVXYONGNHTSW-JPYJTQIMSA-N 484.065 5.505 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c[nH]2)cc1 1825425077 PDLDSRSNKJKYOF-NDEPHWFRSA-N 480.612 5.409 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnccc3C(F)(F)F)CC2)c1 1825892420 FRNZWUOLLAFQNT-KOSHJBKYSA-N 498.549 5.275 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828497776 MRZAXXGBRDYPBG-DQEYMECFSA-N 498.067 5.003 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1828503025 WXANSLIXOSWJRZ-XMMPIXPASA-N 498.465 5.357 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c1 1828676047 PYEWCHABDLTUIR-KBMIEXCESA-N 486.641 5.470 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)COCc2ccccc2)CC1)c1ccccc1 1829032436 JUNHKKNVQMDTNM-WDYNHAJCSA-N 486.656 5.020 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 1829069039 GXJSHFXSTDGIEE-FQEVSTJZSA-N 466.453 5.614 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829568661 ASNFTCJBFOGXFI-DHLKQENFSA-N 494.661 5.011 30 20 JKED COc1cccc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829692921 QAGAHCZBLPNTOC-ZEWVGQQJSA-N 492.019 5.167 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492520 VLYBVHGOCLWATF-HHHXNRCGSA-N 456.586 5.126 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC[C@H]3CNc4ccccc4C3)CC2)cc1 1830628849 QGKHGILZTIBNSS-GIGWZHCTSA-N 498.671 5.051 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)c1 1830716602 CFTFQQYNXYSGPY-VWLOTQADSA-N 481.999 5.217 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2c(C)cccc2C)CC1 1831445383 HTEGOHSUMICYFI-OAQYLSRUSA-N 464.622 5.227 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1831848259 GLYREAKSAQGUAV-QHCPKHFHSA-N 467.997 5.032 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cccc1C(F)(F)F 1832700362 YCYWFYDCZDXWBL-SFTDATJTSA-N 470.601 5.202 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)cc(Br)c3)CC2)C1 1832721677 WJVZMDXKVJMMGM-OAQYLSRUSA-N 479.846 5.302 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1832828284 ZAQYDWCMMOZLAL-HHHXNRCGSA-N 474.670 5.626 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)CC2)c1 1832985174 ILPUIEHSBCJTHP-VQEMNGCCSA-N 469.576 5.293 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)CC1 1838313282 YZCOEHQOTQWNMQ-UHFFFAOYSA-N 472.695 5.232 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1838759568 XYDHGSACEKATAH-FGZHOGPDSA-N 467.654 5.142 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(C(F)(F)F)nc3ccccc13)C2 1841057823 FRMAZKWNPIOAAP-UHFFFAOYSA-N 459.512 5.063 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)C2)c1 1846899027 VJTCJXJTQSOORK-AWEZNQCLSA-N 476.791 5.405 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccccc2CC)c1C 10169107 ZHWJUCHWSYXNPH-UHFFFAOYSA-O 478.638 5.326 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Br)cc2)nnc1-c1ccc(F)cc1 10498607 XFOABWVZDVGLTJ-CQSZACIVSA-N 475.387 5.002 30 20 JKED Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)cs2)cc1 10766504 QBCLQEOHQCXENW-UHFFFAOYSA-N 476.602 5.248 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(CC)cc2)cc1 11252090 DSODQAIIBLSGHP-UHFFFAOYSA-O 469.533 5.042 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nc2scc(-c3cccs3)c2c1=O 11381822 GJCBNNNDAQGAOT-UHFFFAOYSA-N 481.668 5.974 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1ccc(Cl)cc1Cl 15581729 BJQCIEKHUNKWOV-UHFFFAOYSA-N 451.354 5.616 30 20 JKED Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)c1ccco1 15826023 HIWGOFZZPLLKBR-MRXNPFEDSA-N 491.569 5.226 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(C2SCCS2)cc1 16013751 AVDPVTUXEJEKCD-UHFFFAOYSA-N 450.379 5.417 30 20 JKED C=CCc1cc(C(=O)OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)cc(OC)c1OC 16171526 ROCZSOAWDRNDTF-UHFFFAOYSA-N 494.613 5.856 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)N(C)C1(C#N)CCCCC1 16580908 OIVFGJXTIYLOCH-UHFFFAOYSA-N 485.584 5.473 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 20166883 YLWIANBJOOETRC-KRWDZBQOSA-N 461.616 5.298 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 21514532 DRLUDHARFSCAIX-UHFFFAOYSA-N 454.688 5.972 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccc(F)cc2)n1 23632770 HOLQZOXJXRELJP-UHFFFAOYSA-N 456.543 5.737 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCc3sccc3C2)nnc1-c1ccc(C(C)(C)C)cc1 23998886 UGBAMIXTTVEYQR-KRWDZBQOSA-N 466.676 5.556 30 20 JKED Cc1occc1-c1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1-c1ccccc1 24014458 RLBMFFPUBDMMTB-WHEQYPTASA-N 463.607 5.247 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nc2ccccc2c1=O 24665240 NFCRFZRBRHFBAT-UHFFFAOYSA-N 476.627 5.633 30 20 JKED CC(C)n1ncc2c(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cc(-c3ccccc3)nc21 25361349 AMQOJHHOZXYAOW-MRXNPFEDSA-N 499.596 5.285 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c1C 28695870 JEZQLVBFJFUWJH-UHFFFAOYSA-O 461.394 5.479 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C(C)(C)C)cc1 28793764 XIXZEHGRYURGTF-UHFFFAOYSA-O 476.666 6.032 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccc(Cl)cc1 32326354 DIZNQAFGBOSWPO-LJQANCHMSA-N 494.970 6.559 30 20 JKED C=CCc1cc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)cc(OC)c1O 60217528 YPQRTFIMZAMKMP-UHFFFAOYSA-N 456.542 5.407 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3csc(-c4cccc(OC)c4)n3)cc2c1C 213000326 HMAGLIRJPAPSOK-FPLPWBNLSA-N 450.541 5.420 30 20 JKED N#C[C@H](C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 215643054 BAIQKSYSTWQJIY-HSZRJFAPSA-N 479.605 5.634 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2CC)nnc1-c1ccc(Cl)cc1 216153717 YOJQXQZTWNPXID-SFHVURJKSA-N 459.040 5.474 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 302978231 PIKIDVWBZHEMOE-BDYUSTAISA-N 451.570 5.606 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 303031970 UJYJMNOSNQDQIQ-QHCPKHFHSA-N 453.542 5.079 30 20 JKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 303150498 FHSSCSDVDFVWLF-UHFFFAOYSA-N 453.420 5.203 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 303160930 VDGUIZXGKGJFFW-UHFFFAOYSA-N 481.556 5.543 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 303195688 GKUBPSLGOSRDQH-VWLOTQADSA-N 497.624 5.245 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@H](c3ccccc3)C2)nnc1-c1ccc(Cl)cc1Cl 476138457 GWFRDIVKGGKLLH-KRWDZBQOSA-N 473.429 5.546 30 20 JKED Cc1nc(SCC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(C#N)c(C)c1C 485475718 DIPGDUOQPUIDLW-UHFFFAOYSA-N 454.983 5.171 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 487659391 NUTXSDATCPXIGJ-JOCHJYFZSA-N 477.467 5.084 30 20 JKED Cc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1NC(=O)c1ccco1 490144276 XDCLQDNYWUCYRX-UHFFFAOYSA-N 453.523 6.116 30 20 JKED C=CCc1cc(CNC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc(OC)c1OC 497338827 UBYVNBUMWNVWEI-UHFFFAOYSA-N 475.570 5.044 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)n2)cc1 497886640 YWOYOZHGYSPZMP-OAQYLSRUSA-N 466.584 5.025 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc1OC 503777155 UFGMEUDMOCVHBP-UHFFFAOYSA-N 456.542 5.034 30 20 JKED CCC(CC)(NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccc(Cl)c(Cl)c1 504573348 UZXVLSBBKKXLSS-UHFFFAOYSA-N 458.393 5.289 30 20 JKED O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 505505506 IWKXWBKWZFUPQW-YOEHRIQHSA-N 457.349 5.335 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 508251623 LRDYLQIBSKJSKF-GOSISDBHSA-N 472.545 5.665 30 20 JKED N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510057279 RLPCJRNJSBLPSV-OAQYLSRUSA-N 473.939 5.360 30 20 JKED Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510536488 FHCLWUUTXSSAJI-HHHXNRCGSA-N 470.573 5.162 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)cc1 511369504 CHEBOTQKFAOQPA-UHFFFAOYSA-N 468.601 5.187 30 20 JKED CCOc1c(Cl)cc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC 511385217 SQECTGDHYKFEIT-UHFFFAOYSA-N 479.964 5.714 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSCC(=O)N(C)C1CCCCC1 512295936 OEDDCECRMHSNLQ-UHFFFAOYSA-N 467.610 5.063 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCCSCc1ccccc1C#N 512446807 OUTRFXGPYVDJPN-UHFFFAOYSA-N 470.019 5.497 30 20 JKED CCOc1cc2c(cc1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)O[C@H](C)C2 515336522 XXZQWTISFNPBHJ-GOSISDBHSA-N 458.583 5.503 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc12 517891794 ZTSQVPHCJLKKRK-MRXNPFEDSA-N 475.986 6.057 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)c2)cc1 517905600 LJSVBJIRCOTZMK-FQEVSTJZSA-N 483.503 5.951 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(C(=O)c4c(F)cccc4Cl)CC3)c2)cc1 517905605 LRILKPRLUMOFQK-UHFFFAOYSA-N 478.911 5.133 30 20 JKED N#C[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl 519486348 DLUDMJKMMVYUAN-LEWJYISDSA-N 452.341 5.236 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521208758 CSNCFHVYPKKZLK-JOCHJYFZSA-N 481.621 7.188 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)cc1Cl 521543801 XBPFGEOAEIBXHN-UKILVPOCSA-N 457.961 5.592 30 20 JKED COc1cc2c(cc1OC)CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)CC2 524437198 AFHUMNWGEFZTKT-UHFFFAOYSA-N 491.975 5.441 30 20 JKED CCOc1ccccc1[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)NC(C)=O 524516467 PWCQEERHSLRPNZ-QHCPKHFHSA-N 477.948 5.609 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 524572614 IYKPPXGMMHWVHD-NRFANRHFSA-N 488.396 5.203 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1Cl 603673407 RQFBRNMEMBDYET-HSZRJFAPSA-N 452.945 6.311 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cn2)cc1 603831181 TVFWNSJXZWJQEQ-UHFFFAOYSA-N 495.505 5.550 30 20 JKED N#CCCCOc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 603982513 FNDBLWCUTKRFNY-UHFFFAOYSA-N 452.376 5.208 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)o1 603992675 TXBQHOZEDYWCOF-UHFFFAOYSA-N 456.523 5.818 30 20 JKED CCOC(=O)c1sc(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c(C#N)c1C 604565622 VIWINORQUSVNHD-UHFFFAOYSA-N 465.478 5.500 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1nnc(-c2c(Cl)cccc2Cl)o1 608801072 KVGWOIDTKHQALJ-UHFFFAOYSA-N 497.367 5.437 30 20 JKED COc1ccc(-c2cc(C(=O)N(C)c3ccc(C#N)cc3F)c3c(C)nn(-c4ccccc4)c3n2)cc1 609216856 WWNRRCRGYZLKTR-UHFFFAOYSA-N 491.526 5.692 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2cc(Cl)ccc2c1=O 609369851 ONLLYNZWQLAVRM-OAHLLOKOSA-N 485.034 5.361 30 20 JKED Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2C)c1 609430398 VJMZWQGUSYGPOH-IBGZPJMESA-N 479.627 5.751 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 609434087 UCGZTLKNTDLYKT-NRFANRHFSA-N 493.571 5.203 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 615078247 ZEWIEQBEPCGOAA-UHFFFAOYSA-N 467.919 5.194 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)cc1 726073278 DVHDRURWVUYLLX-UHFFFAOYSA-N 466.516 5.142 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@H](C)c3cccnc3)C2=O)cc1 726418733 FJBMVIXFRVSWIK-BHPDCDLFSA-N 478.643 5.603 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(CC2CC2)CC1)c1cccs1 726421870 QFXUZQYQKTWDQB-FOFMCYGJSA-N 496.702 5.012 30 20 JKED Cc1nc(/C=C\c2csc(-c3ccccn3)n2)sc1C(=O)/C=C/c1csc(-c2ccccn2)n1 726849009 VYKSBYJQCYBHRM-GOOGBFEESA-N 499.646 6.555 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)cc1OC 726858483 MLAFWEJSURUQBR-SFHVURJKSA-N 460.555 5.227 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cc(C)sc2C)cn1 726892588 VMLPAGRBABPXPA-IERDGZPVSA-N 494.642 5.490 30 20 JKED Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1[N+](=O)[O-] 727998661 BDTYLPYIKCTHEQ-UHFFFAOYSA-N 466.837 5.168 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc2c(c1)OCCCO2 728062264 LUGUIZRSKWGHAF-QGZVFWFLSA-N 477.948 5.391 30 20 JKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 728668400 UTZIKJWKUIJQON-NSHDSACASA-N 476.357 5.230 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 728779297 XUHCSUPPFJNPHC-LJQANCHMSA-N 458.946 5.133 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1=S 728907617 USPBNLRJGRJENT-UHFFFAOYSA-N 472.618 5.078 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(C2CCC2)C1=O 730458527 AFXXSDPBDDAZLB-HXUWFJFHSA-N 457.983 5.170 30 20 JKED C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 730605568 GBEBBDQQVFPWSE-SFHVURJKSA-N 473.504 5.274 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)c1 730715168 KPUJFKMDLRAZKY-FQEVSTJZSA-N 468.966 5.105 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OCc3occc3C(=O)O)cc2)cc1Br 730948538 GXHUAFAKEJEBFU-XBXARRHUSA-N 457.276 5.224 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1CSCC(=O)Nc1ccccc1S[C@H](C)CC#N 731040278 PPYAHBQXIBDJCQ-MRXNPFEDSA-N 471.051 6.100 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 731060502 WRBAQCDCPCKUIJ-LBPRGKRZSA-N 487.792 5.602 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c3c2CCCC3)cc1 731135562 CTBWSGPARCGFJL-HXUWFJFHSA-N 480.540 5.335 30 20 JKED CC(C)(C)n1cc(C=NNc2ccc(S(=O)(=O)C(F)F)cc2)c(-c2ccccc2Cl)n1 731153623 VRCKHYMRXSNWLY-UHFFFAOYSA-N 466.941 5.401 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1[C@@H]1COc2ccccc2O1 745956876 MLNYYBRASCAYOU-UZLBHIALSA-N 461.547 5.188 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cscn2)cc1 747603744 WVHHTGMFJXUJCD-QFIPXVFZSA-N 478.643 5.105 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(F)F)c2)c1 751244199 PTBRHMBJCPSMBF-UHFFFAOYSA-N 476.932 5.911 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccccn1 837301625 MLZJARBMEIXTEB-VGSWGCGISA-N 462.550 5.251 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 837549870 NUTCCIMZTCMHRL-CLOONOSVSA-N 480.593 5.956 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H](C)c2cccnc2)C1=O 837553147 YMJKCZOZSLJYBA-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837908396 WMHDLPYESUSCMZ-FDDCHVKYSA-N 493.032 6.073 30 20 JKED CC(C)Cn1cc([C@H]2N(Cc3cccc(OCc4ccccc4C#N)c3)CC23CCOCC3)cn1 849478430 HCVYYESVYJSPLW-MUUNZHRXSA-N 470.617 5.343 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 914541336 QAKAFVOSVOFTMR-QHCPKHFHSA-N 495.551 5.272 30 20 JKED COc1cc(/C=C/C(=O)c2ccncc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916136461 OIWICMSXCICTEL-SOFGYWHQSA-N 456.420 5.023 30 20 JKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCOCC2)cc1 916138324 FWNWNXQIFIIVFG-WCIBSUBMSA-N 481.379 5.978 30 20 JKED CCn1c2ccccc2c2cc(C=Nn3c(S)nnc3COc3ccc(OC)cc3)ccc21 916313984 SMNLHMJZLJVHBN-UHFFFAOYSA-N 457.559 5.164 30 20 JKED Cc1cccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)c1 916886097 DJLTWCUXAYRFGW-SFHVURJKSA-N 457.527 5.323 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2cccc(Cl)c2)nc1C 916903286 MKLHRWNJUAYSKN-LJQANCHMSA-N 451.979 5.858 30 20 JKED Cc1oc(-c2ccccc2)nc1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908699 NNEFILSWCJUCAJ-NRFANRHFSA-N 451.482 5.332 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 916914475 LUWCRZQPEFPMGU-CLJLJLNGSA-N 466.537 5.445 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 916925477 KLLAAFZYFROXJO-SFHVURJKSA-N 478.961 5.409 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 916955074 METABIVRNBYAPF-GAJHUEQPSA-N 499.533 5.419 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C)cc3Br)n2)cc1 916974813 RQCFGKFEOAYMAK-RDJZCZTQSA-N 455.377 5.833 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(F)cc3Br)n2)cc1 916975312 XPHKMYCUHFVRIU-BBRMVZONSA-N 459.340 5.664 30 20 JKED C=CCn1c(SC[C@@H](O)c2ccc(F)cc2F)nc2scc(-c3cccs3)c2c1=O 916975517 HDIYUMMYJOWNPS-MRXNPFEDSA-N 462.568 5.476 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 917025539 NDKVOQFWSYIDAK-IBGZPJMESA-N 459.600 5.285 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045056 XPPVAWNJNPTPJN-PKOBYXMFSA-N 457.477 5.027 30 20 JKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917559895 OQZQNFBPZKAJAO-WJDWOHSUSA-N 491.613 5.279 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(C)nc4sccc4c3=O)s2)cc1Cl 917580275 CHPBWNVKCFTYLA-UHFFFAOYSA-N 450.376 5.464 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)N[C@@H](C)c1ccccc1 917609962 MOEDVWCNFZMTDS-FQEVSTJZSA-O 488.677 5.895 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2C)n1 917670280 QOAHOPDMSCCPEP-QHCPKHFHSA-N 476.577 5.306 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N([C@H](c2ccccc2)C2CCCCC2)C1=O 917696152 IWQWVOLLVIEEQE-UKILVPOCSA-N 492.645 5.034 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(N(C)C)cc3)SC2=Nc2ccccc2C#N)cc1 917699502 IYKQFUYUEFAGPG-VWLOTQADSA-N 497.624 5.093 30 20 JKED CC(C)[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccccc1Cl 919514046 CISRGJZDRPXPNO-QFIPXVFZSA-N 452.894 5.204 30 20 JKED C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 919769615 TYQZXNHKJJZWOD-RXMQYKEDSA-N 495.244 5.604 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 920106137 LCMVMRGYJLAGSK-CQSZACIVSA-N 478.426 5.692 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(F)c(NC(C)=O)c3)c2C#N)C1 920599656 RCUGYARJVHPKGI-INIZCTEOSA-N 485.581 5.054 30 20 JKED N#CCCn1cc(C(=O)COC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c2ccccc21 920678101 RHALVGDKQBVZEY-UHFFFAOYSA-N 469.975 5.362 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc(-c2c(F)cccc2F)cs1 920805095 GYRLPJAJPUZROM-OLZOCXBDSA-N 492.334 5.624 30 20 JKED Cc1c(O)nc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nc1-c1ccccc1 1459025887 IJOJSOPPMPFUPL-SFHVURJKSA-N 458.568 5.250 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CC3CCC(C)(C)CC3)C2)c1 1780813353 UYHNVTNFDAOHCP-DQGPIALTSA-N 479.665 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CC3CCC(C)(C)CC3)C2)c1 1780813357 UYHNVTNFDAOHCP-PRNYMFJNSA-N 479.665 5.048 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)cc2)CCC1)C(F)(F)F 1786334220 YRYYNHGVTBQNEW-RTWAWAEBSA-N 458.480 5.051 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)COc3ccc(Cl)c(Cl)c3)CCC2)cc1 1786364703 XOVWZGZKNKICMO-UHFFFAOYSA-N 491.415 5.489 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)COc3cccc4ccccc34)cc2)CCC1 1786674433 LAEIYUIPTULQSI-UHFFFAOYSA-N 460.599 5.272 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C(F)(F)F)c3)CCC2)cc1 1787649800 UYQXHXLZDOGVJK-UHFFFAOYSA-N 480.284 5.129 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CCC2)cc1 1787649886 YNKHIONZPYBHKZ-RUZDIDTESA-N 459.496 5.546 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5occc5n4-c4ccccc4)CCC3)cc2)CC1 1787881059 FNHOAGCKCMVDLG-UHFFFAOYSA-N 464.525 5.275 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c5ccccc5n5ccsc45)CCC3)cc2)CC1 1787881122 HQAFFNZTAPRPHI-UHFFFAOYSA-N 454.555 5.205 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)cc2)CCC1 1789129241 ZPEHRHVMASVXGI-CFWKWFKYSA-N 495.664 5.511 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790000920 HPQLQFFMGOBWOX-UHFFFAOYSA-N 475.639 5.821 30 20 JKED Cc1cncc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c1 1790763997 KCVLTUCJAIFWOL-UHFFFAOYSA-N 472.976 5.296 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(C(F)(F)F)cn4)CCC3)cc2)c(Cl)c1 1790767198 NDWPIULTDGZPDZ-UHFFFAOYSA-N 499.880 5.082 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)cc2)CCC1 1791145296 ARWXJUPRZWQLPB-FNZWTVRRSA-N 477.674 5.169 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)C4(c5ccc(Cl)cc5)CC4)cc3)CCC2)c1 1791182589 NKZIKQMHZLGTPM-UHFFFAOYSA-N 458.949 5.019 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791252548 VHJITMDDYLPVAV-NHCUHLMSSA-N 483.653 5.370 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccoc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792206901 VBNKECJTQNVKPO-HSZRJFAPSA-N 495.620 5.206 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(C(F)(F)F)c1 1800399630 LHGXPKPAYBPAKM-MUJYYYPQSA-N 492.391 5.330 30 20 JKED CC(C)c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cc1 1801857965 PBYAIEIMEYSNIJ-QEIWAGNOSA-N 452.715 5.042 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccccc3)CCC2)[C@@H]1c1cccnc1 1802501130 HPAXLDLIZIGEJU-ILBGXUMGSA-N 459.634 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1802856066 RQJCZPNUALJJSF-RDPSFJRHSA-N 472.004 5.115 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1803092172 JMIVXBUEMCCLJU-JIOWCTGISA-N 482.628 5.359 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1803092185 JMIVXBUEMCCLJU-VGYZXHDSSA-N 482.628 5.359 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1803605983 MCDVJOODGXOUJC-NXCFDTQHSA-N 473.642 5.023 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)C1 1804865342 NODXEJQQXAENCO-UHFFFAOYSA-N 457.014 5.923 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)/C=C\c4c[nH]c5ccccc45)C3)CC2)c(Cl)c1 1806881680 CJWUNHUZGKRGJY-CLFYSBASSA-N 487.003 5.251 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808155353 HXQHUDISEMOOME-RLWLMLJZSA-N 491.035 5.613 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)/C=C/C(=O)c2cccs2)[C@@H]1c1cccnc1 1808422210 NIXYOUPVZTXWBE-VCSCMVORSA-N 495.689 5.585 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC3(CCCN(C(=O)CCc4ccccc4Cl)C3)CC2)cc1 1809353879 CFUPFBDXBSCMEH-UHFFFAOYSA-N 478.036 5.008 30 20 JKED Cc1cccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)[nH]c12 1809748658 VOQXPMFGNKYFFI-QFQXNSOFSA-N 497.986 5.030 30 20 JKED CCCc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)CC2)cc1 1810345191 ABEOHXIOZXTLHM-UHFFFAOYSA-N 498.549 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1810491258 BJYDURIZHVZYDF-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)[C@H]1c1cccnc1 1810503696 UZPPHZZFUBILJZ-RSXGOPAZSA-N 475.633 5.182 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCC3)c(F)c2)[C@H]1c1cccnc1 1811391531 QRDYRBBXXHJULV-JYFHCDHNSA-N 492.639 5.133 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1813048680 QQWRYLXBBWCGHW-HOYKHHGWSA-N 466.006 5.073 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1813225737 ZEWUOHFGIOLMEQ-YIXXDRMTSA-N 499.577 5.323 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1813970995 ITSSPEQJNQUUTC-GCJKJVERSA-N 491.529 5.552 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC(F)(F)C2)n[nH]1)c1ccccc1 1814388221 BWEREURINSGPTF-RZUBCFFCSA-N 468.548 5.034 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)[nH]n2)C1 1814395457 VOBCFMLKVONBOS-KRWDZBQOSA-N 454.983 5.550 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)[nH]n1 1814443057 JJIYCAMWMUCCDZ-OAQYLSRUSA-N 469.536 5.468 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cnccc2C(F)(F)F)n[nH]1 1815792359 NVFCARAHEZIGOE-FQEVSTJZSA-N 491.558 5.441 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)n[nH]1 1817766801 XBNDHQMBQWCYAZ-NRFANRHFSA-N 495.505 5.210 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4c3OC(C)(C)C4)n[nH]2)c1 1817945004 JXSCGJZSDQBLJG-KOSHJBKYSA-N 497.599 5.370 30 20 JKED Cc1cscc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1818242163 IMIZGEALAKRLQH-IBGZPJMESA-N 487.507 5.290 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1)c1ccccc1 1819129029 VCUUMDXUNKWOTL-SQHAQQRYSA-N 491.595 5.461 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncccc2SCC)[nH]n1 1819555672 UTZIEENIWAQHCW-SFHVURJKSA-N 455.628 5.215 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820089466 LUVBWYWXVFVEDL-YADARESESA-N 491.617 5.411 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)cc1 1820435018 TYQLSNPDEWTNFS-FQEVSTJZSA-N 482.371 5.402 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](CC=C)C(=C)C)[nH]n1 1820910877 PRKPJAZNEJQFAX-ONTIZHBOSA-N 499.656 5.030 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)[nH]n2)c1 1821275275 FMHOXDQSQHKVAZ-ZSTWQFLISA-N 477.584 5.333 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277190 MAPDTOIYBZLUDV-HXUWFJFHSA-N 498.370 5.216 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)[nH]n2)c1 1823215332 QEEDTOGFECAHAY-IFXJQAMLSA-N 484.482 5.003 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1823253999 ZYJPSSXAMIPAEX-HRAATJIYSA-N 491.979 5.318 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823849309 WUFXWFFBPAKUSK-HSZRJFAPSA-N 491.717 5.244 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)ccc(F)c1F 1824054067 FVYHHEUZGFQVOL-RUZDIDTESA-N 479.571 5.011 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1)c1ccccc1 1824236377 SDEKSYQOVLIENN-PXJZQJOASA-N 471.645 5.160 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1824272197 ZNYBTHSYYZZCMW-AREMUKBSSA-N 483.773 5.235 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1 1826285379 GNGIHPKZXWNPOH-RPWUZVMVSA-N 489.701 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(F)c3)CC2)c1 1826555837 NOZCMSGQOZMCCH-BCHFMIIMSA-N 479.571 5.068 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCC#N)CC3)c2c1 1826689732 UEMXSGDJKMHWEN-QHCPKHFHSA-N 479.621 5.177 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827353299 QCLGUPPMNRTLLX-HSZRJFAPSA-N 485.550 5.332 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1827762255 KISNWSWXBLCRQT-MUUNZHRXSA-N 478.596 5.167 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnn3-c3ccccc3)CC2)c1 1827971232 USIDVUWVMVVWJC-WXVAWEFUSA-N 495.627 5.046 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1828906541 SBDWOTYSGYGHTJ-NRFANRHFSA-N 495.662 5.318 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c(C)noc2C)CC1)c1ccccc1 1829029846 GRSOZMQOJZYRDX-VSGBNLITSA-N 489.660 5.041 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)C)no2)CC1)c1ccccc1 1829031597 BGRKYDMUDJTIBQ-AHWVRZQESA-N 475.633 5.229 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)c1 1829778805 UTNFNPFMRQTRJE-RUZDIDTESA-N 493.051 5.285 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829784191 DFYODCPEKBIGQE-HSZRJFAPSA-N 485.550 5.332 30 20 JKED CN(C)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1829979920 QQHRCWLHKBMJRN-SANMLTNESA-N 481.757 5.037 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830531471 HCSSLNOSVQCCAB-KRWDZBQOSA-N 468.413 5.030 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCC3)CC2)ccc1Br 1830687236 ROYZQZJKHLEMPD-NOENIZQJSA-N 498.465 5.300 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c(Cl)c1 1830722469 JVERGPMHVQIRDI-FQEVSTJZSA-N 476.429 5.474 30 20 JKED COc1cc(Cl)ccc1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830769975 GPFHWBGCLRKJPL-VWLOTQADSA-N 494.035 5.005 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)CC2)c1 1830830265 QMWUDRGGQVHSJR-SANMLTNESA-N 487.003 5.307 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1831374574 QYLRHDPQYSAJBR-HRAATJIYSA-N 454.508 5.290 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 1832030477 QLUPWZXCAANJNV-MHZLTWQESA-N 463.666 5.104 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 1832034496 MPJJPEAZICIGIL-DSNGMDLFSA-N 499.493 5.366 30 20 JKED C[C@H](Cc1ccco1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832283643 GPFTZUJJTYHXFG-SWYRRKHMSA-N 461.606 5.019 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccccn2)CC1)c1ccccc1 1832325190 ZDCWJRHPBLGFBH-RXWNPYQGSA-N 471.645 5.002 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC34CN(C(=O)c3cccc([C@@H](C)C#N)c3)C4)c2c1 1843152854 AQOOPMSDTUYBAA-FQEVSTJZSA-N 499.611 5.398 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(=O)OC)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 10174697 ZWPDCTVRPVATFO-UHFFFAOYSA-O 492.665 5.616 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179564 OZEFWKFCXIULKI-UHFFFAOYSA-O 453.971 5.012 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1F 11083129 GSXCNFMCKRSHJS-UHFFFAOYSA-O 463.642 6.893 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccccc1F 11169633 JAJDHBIATDAQNT-UHFFFAOYSA-O 458.376 5.489 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 11558701 YFXUNVXMYKEWRP-QFIPXVFZSA-N 496.514 5.818 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)ccc1Cl 11977556 DBZJSNBROVKTPV-UHFFFAOYSA-N 477.977 5.528 30 20 JKED COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1ccc(C#N)cc1 13160327 NOXNNIVQPJRVGY-UHFFFAOYSA-N 456.571 5.334 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 14101705 SMIODYUWDCTZQR-UHFFFAOYSA-N 466.607 5.177 30 20 JKED Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2C)c1 16063965 CAPGYJQEZDQFMX-HNNXBMFYSA-N 451.621 5.112 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)cc1OC 18947209 FSPVHONORNNTNE-UHFFFAOYSA-N 495.611 5.095 30 20 JKED N#CCn1c(CSc2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)nc2ccccc2c1=O 21236593 NDPWHHINMRRLAZ-UHFFFAOYSA-N 498.593 5.600 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32291347 PFJFMBHJRABBDA-DEOSSOPVSA-N 489.959 5.043 30 20 JKED N#CCCn1cc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc21 104571423 NVXJXHDXECCYHX-UHFFFAOYSA-N 478.577 5.288 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(I)cc2)cc1 108371715 HGAHUWDUCBHFQM-UHFFFAOYSA-N 468.294 5.189 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 116987542 XUJNANBMIHCOSW-UHFFFAOYSA-N 496.061 6.142 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nnnn4C4CC4)c3C#N)C(C)(C)C2)o1 209967749 JICVJVFWIVSZFP-UITAMQMPSA-N 492.630 5.352 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1csc(Cc2ccccc2)n1 302966127 RFVPDSNUGGPJDS-UHFFFAOYSA-N 457.584 5.127 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 303320491 UAZUHCOJEWBDMA-CYBMUJFWSA-N 450.511 5.406 30 20 JKED Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N 303323135 UTDUHJXQPTUPCP-HNNXBMFYSA-N 457.024 5.959 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1Cl 410283413 LYGGFEJIWDLDQX-XMMPIXPASA-N 472.976 6.056 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)c1ccc(C#N)cc1 481055036 UWKBEFDIFGZREC-OAHLLOKOSA-N 453.420 5.185 30 20 JKED Cc1ccc(C[C@H](C#N)Sc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)cc1 494299289 VYZLVQQSVPXWBS-JOCHJYFZSA-N 483.588 5.390 30 20 JKED CCN(C(=O)c1oc2ccccc2c1CSc1nnc(C)s1)[C@H](C)c1ccc(C#N)cc1 499370819 GWUQFSCROGUISZ-OAHLLOKOSA-N 462.600 5.980 30 20 JKED Cc1cc(F)ccc1NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502906753 JDSMNDBYNNVDHU-UHFFFAOYSA-N 466.744 5.658 30 20 JKED Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 509757408 XWGHZRPXYLVUFK-UHFFFAOYSA-N 485.931 5.441 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1cccc(C(F)(F)F)c1 510462433 PPIUEFLGZYRDEF-GFCCVEGCSA-N 452.370 6.005 30 20 JKED CN(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1Cl 511431796 KCIFUBRXTVTPEE-ZJSXRUAMSA-N 495.410 5.006 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2c(F)cccc2Cl)c1 512923101 QEGIESZSKPDPHR-UHFFFAOYSA-N 453.926 5.012 30 20 JKED N#C[C@H](C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 513170320 JTEGGSGJAJWQJV-INIZCTEOSA-N 474.826 5.764 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 514071609 QACQVRUFLFMIDI-UHFFFAOYSA-N 471.969 6.009 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1nc2ccccc2n1C(F)F 515539451 SXIVXTKVYVXPKS-AWEZNQCLSA-N 499.271 5.529 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1OC(F)F 518675745 NVSZNOJDRKOQPD-LBPRGKRZSA-N 487.450 5.128 30 20 JKED C=CCN(C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 518744197 FVDOVYBVHMOTPT-NRFANRHFSA-N 465.557 5.068 30 20 JKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 520182984 ALSCYLCGSKVENW-GFCCVEGCSA-N 478.430 6.234 30 20 JKED Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)n2)cc1 520195805 MLSILDLMXUSPOV-PMACEKPBSA-N 490.633 5.350 30 20 JKED CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 521475035 NMAIMMIBYMMDPS-JOCHJYFZSA-N 467.978 5.399 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)n1 523229581 RKSCNMOYTIMMSF-OAHLLOKOSA-N 496.997 6.502 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)c2)cc1 524075916 VMTGKNGGBSUJQN-HSZRJFAPSA-N 466.459 5.691 30 20 JKED COc1cc([C@@H](C#N)NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1OC 524246443 QSYUZPYGFXUCGE-OAQYLSRUSA-N 482.621 5.327 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(Cl)cc1 524389708 XRADQTPUTNRCBS-HSZRJFAPSA-N 482.367 5.650 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(OCc4ccccn4)c3)cn2)c1 603692401 SSGHEXSBKLKROU-UHFFFAOYSA-N 451.486 5.041 30 20 JKED N#CCc1cccc(C(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccco2)c1 603731385 NLQQTBOQFJHMGY-UHFFFAOYSA-N 475.854 5.299 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1Cl 603758848 LCECPBVOXSBVLH-HSZRJFAPSA-N 493.941 5.765 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(F)F 603828982 BHAVHMNBVKKZMF-HXUWFJFHSA-N 485.918 6.269 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 603962390 SVOZKQNADPLADR-QMHKHESXSA-N 463.990 6.073 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1F 604088198 KWPVSQPTXMVDLD-HSZRJFAPSA-N 475.911 5.788 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn4c(-c5ccccc5)ccnc34)cc2F)c1 609109784 ASZYSSLFYQNIAU-UHFFFAOYSA-N 463.472 5.238 30 20 JKED N#C[C@H](NC(=O)c1cc(F)ccc1I)c1ccc(OCc2ccccc2)cc1 609174770 WETYHRHGMPEHDZ-NRFANRHFSA-N 486.284 5.004 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cnn1-c1cccc(Cl)c1 609378591 QMURLGZJUWEBTC-UHFFFAOYSA-N 464.900 6.111 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1cscn1)c1nc(-c2ccc(Cl)cc2)cs1 613319417 DHHBNDWKZWGXSY-GOSISDBHSA-N 451.960 5.989 30 20 JKED Cc1cc(-c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c3c(C)noc3n2)c(C)o1 613320180 URMCAGZDPSOAKB-IBGZPJMESA-N 488.956 6.675 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)nnc1-c1ccc(Cl)cc1 617894485 FXZSITAQTVMUFS-GDBMZVCRSA-N 458.937 5.114 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 634545077 JTXXPODZOREHHM-QFIPXVFZSA-N 474.486 5.168 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2nc3n(c(=O)c12)CCCCC3 642281832 NZKUNORHHCQHCC-INIZCTEOSA-N 495.029 5.760 30 20 JKED CCOc1cc(C=Nn2cnnc2-c2ccccc2)ccc1OCc1c(F)cccc1Cl 725855949 JQBQFBSCDSNELT-UHFFFAOYSA-N 450.901 5.598 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1C1CCCC1)c1cccs1 726414972 DNKTVYCXSSZWNV-CNAVFTNWSA-N 470.664 5.147 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(C3CC3)C2=O)cc1 726420934 KEYBEVZDHCQCCF-QDKFNBQJSA-N 457.621 5.089 30 20 JKED C#Cc1cccc(NC(=S)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2C)c1 726435095 ZEIYRMFQCQSXEP-UHFFFAOYSA-N 455.992 5.239 30 20 JKED CCc1c(C)sc(NC(=O)c2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)c1C#N 727790684 QMEBTFDUPSLJIO-UHFFFAOYSA-N 488.034 5.612 30 20 JKED N#C[C@H](C(=O)CCCCc1ccc(I)cc1)C(=O)Nc1ccccc1Cl 727953924 RACMSPGIDBXGRZ-MRXNPFEDSA-N 480.733 5.005 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)cc1OC 728012155 YAGLLXDAPDNMEG-UXBLZVDNSA-N 490.522 5.546 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)s2)cc1 728063395 BBZKAIZEDASHCX-HXUWFJFHSA-N 456.493 5.993 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1ccccn1)c1cccs1 728429845 KSHFHMDNLBVDOT-WFDHZJSPSA-N 489.626 5.166 30 20 JKED CSc1cc(-c2csc(=NCCc3ccccn3)n2CCCCC#N)ccc1NC(C)=O 728776604 RSPFFMYVFZSPCP-UHFFFAOYSA-N 465.648 5.129 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)c1 728780620 VPXNRROIYZHCSF-NRFANRHFSA-N 497.552 5.005 30 20 JKED N#Cc1ccc(NC(=S)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1Cl 728792397 LMJHSLYVKSMKSB-UHFFFAOYSA-N 474.895 6.292 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1scnc1C 729144129 BXBOIZDVGVSHEH-HXUWFJFHSA-N 464.616 5.174 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)NC23CC4CC(CC(C4)C2)C3)[n+]2ccc(C(C)(C)C)cc2)c1 729669031 BPXGKGMQIVGUEL-UHFFFAOYSA-O 495.665 5.148 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(C3CCC3)C2=O)cc1 730460253 VXEBAJAUJWASRH-DEOSSOPVSA-N 471.582 5.555 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(F)c1 730534473 IGJLFBNWWSWSNE-IBGZPJMESA-N 497.514 5.150 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CCCc2c[nH]c3ccccc23)C1=O 730721730 WMHNAJWZMISOAT-FQEVSTJZSA-N 489.428 5.175 30 20 JKED O=C(OCCC(F)(F)F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 730863124 ZBBFGULPLCXPFJ-UHFFFAOYSA-N 455.664 5.068 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730943551 FQVWWOPHVSDDGG-GBXCKJPGSA-N 472.614 5.098 30 20 JKED CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)c1ccc(COc2ccccc2C#N)o1 731021978 CNVYUGZHNQLRRS-UHFFFAOYSA-N 487.556 5.348 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c3ccccc3n2)o1 731060724 JXXNRANGYIHHCV-GOSISDBHSA-N 485.565 5.993 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccnc1Sc1ccccc1 731060977 OCTAJHYIOIVMSX-KRWDZBQOSA-N 463.584 5.280 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1 731063140 JABXGDXJHPUGHQ-INIZCTEOSA-N 479.583 5.048 30 20 JKED C#CCOc1ccc(NC(=O)N(CC)Cc2ccc(OCc3cccs3)c(OC)c2)cc1 731113672 KKIPJXQBOUVAKD-UHFFFAOYSA-N 450.560 5.402 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744935844 GYIQNXRXJNEDJW-CYBMUJFWSA-N 450.734 5.731 30 20 JKED C=C(C)COc1cc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)ccc1OC 747063971 SCFRQQFLIODOPE-ODLFYWEKSA-N 469.994 5.477 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cscn3)C2=O)cc1 747601479 VIFOUQHMZISEPA-QFIPXVFZSA-N 494.642 5.319 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)c1 750193216 AUXPEIGASQJHDR-HXUWFJFHSA-N 499.596 5.105 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 837285020 HNAFHFZMBYLQER-CLOONOSVSA-N 480.593 5.956 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N([C@H](C)c3ccccn3)C2=O)cc1 837485295 MDVIJAAQLCTTRA-ZHRRBRCNSA-N 496.995 5.904 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@H](C)c2cccnc2)cc1 837914442 YVHBLEDKKJVGAK-HOYKHHGWSA-N 488.613 5.374 30 20 JKED N#CCOc1ccccc1-c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 904669343 XEKKFDWMGHWFNO-UHFFFAOYSA-N 472.810 6.165 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N([C@H](C)Cc2ccco2)C1=O 914694881 XEZYJOCZVAANSS-OPAMFIHVSA-N 498.004 5.533 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)nc(O)c2c1C 915088688 UXWRYOYMQXOCBG-UTKZUKDTSA-N 488.638 5.930 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CCCO2)C1=O 916211829 QTLJLWUZPHPIBR-XLIONFOSSA-N 492.428 5.441 30 20 JKED O=C(Nc1cccc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)c1)c1ccc(Cl)cc1 916288553 KLYUUIHIPQPAGT-UHFFFAOYSA-N 462.962 5.125 30 20 JKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846434 VKMLWPYRMKGCGR-GXFFZTMASA-N 478.426 5.940 30 20 JKED N#C[C@@H](C(=O)CSc1cccc2cccc(Cl)c12)c1nc(O)c2c3c(sc2n1)CCCC3 916847718 UMPTWPVMUHNKFI-HNNXBMFYSA-N 480.014 6.051 30 20 JKED CSCc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc2ccccc12 916904903 KFYUXCHPLOJHIG-IBGZPJMESA-N 456.523 6.049 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(Br)ccc1F)C(=O)Nc1ccccc1Oc1ccccc1 916905066 LRZKXLCQPZOTTO-XGCMIMOYSA-N 479.305 5.741 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 916911534 BSSFRLMDQSCBHK-HXUWFJFHSA-N 467.319 5.145 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 916914895 XVJSECFNMDBGEW-HXUWFJFHSA-N 451.979 5.696 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 916926398 ZFUAHGPTADPETF-HXUWFJFHSA-N 480.362 5.217 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916929887 DHTFBZJZUKQCHE-LFAOLKIESA-N 456.342 5.094 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1ccc(F)c(Cl)c1 916938823 OIMSFZCAHJZWID-HNNXBMFYSA-N 481.858 5.511 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 916949499 OQSXRVBMRFQXCV-NIYFSFCBSA-N 451.526 5.612 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2cc(Cl)ccc2s1 917045962 DSNGDIWBNARYMX-RHSMWYFYSA-N 458.370 5.332 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 917506399 YSUDMRQEMXFGHT-HXUWFJFHSA-N 499.498 5.475 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnc(-c2ccccc2)nc1 917536291 NXZYSUMUVIQIJO-UHFFFAOYSA-N 457.946 5.426 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)s1 917675713 XUAVYUGJCPVXDK-QFIPXVFZSA-N 479.627 5.480 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(Cl)s1 917702367 FWZPASHXOCQWNB-IBGZPJMESA-N 498.992 5.573 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C#N 917704208 VHKADZHQURPDKY-HXUWFJFHSA-N 496.564 5.367 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CCCC3 918707510 JSNJYJABSHZIFE-UHFFFAOYSA-N 460.506 5.361 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)c1C#N 919036244 DRRDFTIEHLULCH-UHFFFAOYSA-N 478.599 5.359 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1 920140665 IYOVOOMONQFRRC-YWZLYKJASA-N 464.959 5.015 30 20 JKED Cc1ccccc1Nc1nc2sc(C(=O)OCC(=O)Nc3sccc3C#N)cc2s1 920669659 ZPXISRAJLNNRQH-UHFFFAOYSA-N 454.558 5.139 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc3[nH]c(C)c(C)c3c2)C1=O 920827230 VRPBIGSWWSPHJX-DEOSSOPVSA-N 470.598 5.206 30 20 JKED C=C(Br)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1 920985386 UNBUTELBHHVYCV-GOSISDBHSA-N 476.371 5.003 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccccc2-c2ccccc2C#N)cs1 921182062 WLTDEGIWQLKZSL-UHFFFAOYSA-N 481.577 6.286 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ccc(OCC(F)(F)F)cc2)cc1 921256677 VLNPYZGLZPHDDE-UHFFFAOYSA-N 464.513 5.267 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Br)cc3)CCC2)cc1 1785937257 PFYCEKSVZUILJZ-UHFFFAOYSA-N 498.421 5.292 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc(Cl)n4)cc3)CCC2)c1 1786957305 CTABTIQGWDWTOG-SFHVURJKSA-N 472.976 5.352 30 20 JKED Cc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1 1787320429 JMDJQUPRQJNCDP-UHFFFAOYSA-N 489.373 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3sc4ccccc4c3Cl)[C@H]2C1 1787927619 JEBIPFVJFSOOOC-WDSOQIARSA-N 475.054 5.140 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3cc(F)cc(F)c3)cc2)CCC1 1788525668 PEQVDHAQUCCCRM-HSZRJFAPSA-N 499.558 5.241 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4nnc(-c5ccccc5)o4)cc3)CCC2)c1Cl 1789566797 WGFHVMPHLWREMI-UHFFFAOYSA-N 497.942 5.323 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)C3CC(F)(F)C3)CCC2)cc1)c1ccccc1 1789601796 DKSVAOWMHOAGDI-HSZRJFAPSA-N 450.529 5.363 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nc(C)sc45)CCC3)cc2)c1 1790073174 PUOVAOSZWVOLAJ-UHFFFAOYSA-N 496.592 5.547 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnccn5)c4)cc3)CCC2)cc1 1790080205 WIRLVJSIALOJLW-UHFFFAOYSA-N 487.563 5.006 30 20 JKED COc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083159 SSDFMOZUEGFBPB-UHFFFAOYSA-N 489.959 5.047 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCCC4(F)F)CCC3)cc2)ccc1F 1790520222 JJAWZOIRBNISSA-RUZDIDTESA-N 487.497 5.292 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ccnn5c4)cc3)CCC2)c1 1790936325 JHMBYHLDNHCJGW-LJQANCHMSA-N 463.541 5.023 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1791560690 CJOXFKSWAZJMDO-NZQKXSOJSA-N 481.637 5.008 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@@H](C)CN3C(=O)OCc3ccccc3)CCC2)cc1 1791587656 BTXXWLNLQZKUDH-BWKNWUBXSA-N 489.616 5.134 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](C)n3cccc3)cc2)CCC1)NC(=O)OC(C)(C)C 1791792322 YOQGFILRMOJUCS-REWPJTCUSA-N 494.636 5.043 30 20 JKED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1793609457 FVVGGINHSIFBJK-SBZFUYPRSA-N 473.642 5.108 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2ccccc2)c1 1799551710 ZAFXTOBFNOXSHE-BKFWDETESA-N 465.553 5.225 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cccc4s2)C3)c1 1800684687 LGHZSOGCOHVJFQ-MUJYYYPQSA-N 467.953 5.131 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1802495048 IKAAGPFWNJQJFC-KNQAVFIVSA-N 473.539 5.412 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1803085031 XLJCXBYWEPKXRV-AZGAKELHSA-N 487.644 5.273 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1803089593 CHNVGAXZKQRXNW-LVXARBLLSA-N 489.019 5.371 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803092560 WEKCHWWAYMHNEI-RDGATRHJSA-N 485.550 5.117 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C3)c1 1803679501 NMSURIDBWSWEBX-ZVPUFOINSA-N 461.993 5.023 30 20 JKED Cc1cc2cc(C(=O)N3CCC4(CCCN(C(=O)C#Cc5ccc(Cl)cc5)C4)CC3)ccc2[nH]1 1805336087 IXSCZLWYVMVBPJ-UHFFFAOYSA-N 474.004 5.026 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cncn3-c3ccc(Cl)cc3F)CC2)C1 1805455190 PIDVOEFTZUFWHY-UHFFFAOYSA-N 499.030 5.278 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4C[C@@H]4c4ccc(F)c(F)c4)C3)CC2)c1Cl 1805610306 OJHGFNVMJRDDIE-NHCUHLMSSA-N 497.973 5.138 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc4ccccc4c3Br)CC2)C1 1806029622 OUYHGIICULZJHU-LJQANCHMSA-N 499.449 5.038 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@@H](CNC(=O)CCC#N)[C@H]2c2cccnc2)cc(C(C)(C)C)c1 1806867386 CLIGUEYHAGUCCD-HFZDXXHNSA-N 474.649 5.300 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1809094839 BSOVRFDMLDFWQS-OASJLCFRSA-N 468.601 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1809154992 MBLJJRSVTACREF-ZJSXRUAMSA-N 459.590 5.448 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3sc4ccccc4c3Cl)[C@@H]2c2cccnc2)C1 1809208774 CKHXMWMBGPRDCN-VGSWGCGISA-N 466.006 5.236 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1810174109 LNJZTWGWFKXJOE-ZILOHOTNSA-N 496.995 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810503092 OBJMEUBHOATZQG-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)n2)[C@H]1c1cccnc1 1810505038 LHJUBDPIFZLEOC-UTKZUKDTSA-N 475.420 5.095 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811136565 HRIJVFSLNJNEMK-UZUQRXQVSA-N 497.357 5.033 30 20 JKED COc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1811411371 ZGEYDTOPCQLULF-HOFKKMOUSA-N 490.648 5.278 30 20 JKED Cc1ccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4)[C@H]3c3cccnc3)sc2c1 1812221794 WVMLIEWLVQRGPX-OZXSUGGESA-N 480.593 5.110 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 1813865743 ILCZUTWUZQHIRN-BRBPODBZSA-N 478.552 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813967406 IWCJMMFZINPFBA-MZKRTTBSSA-N 489.513 5.328 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c1 1814580012 WBXBOIOICYJQIL-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1)C(F)(F)F 1817744082 ILBOQYWUUZWIHX-HXUWFJFHSA-N 483.494 5.205 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c(Cl)c1 1818813170 MAPWSZJZYDCOBH-BDTMADQZSA-N 499.958 5.700 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818813264 QRIUJKDODLMCJC-BDTMADQZSA-N 483.503 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)[nH]n1 1819305636 MITMSCSBGJFMFY-CRAIPNDOSA-N 464.488 5.404 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)[nH]n1 1819309586 XMTNNQXFKVVCBY-HYBUGGRVSA-N 475.568 5.100 30 20 JKED Cc1ccc(NCCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(C)c1 1819465105 YKZDOJNITCDXLZ-LVXARBLLSA-N 498.631 5.462 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)[nH]3)n[nH]2)c1 1819636451 ADONNKDAMLZLHB-AUUYWEPGSA-N 484.482 5.003 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)c1 1820547444 MHZGDZSKPXSHKS-VWLOTQADSA-N 490.567 5.272 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCCC2)n[nH]1 1820906126 ZWWZWMLLNITXME-AGOBFMAKSA-N 499.656 5.008 30 20 JKED Cc1ncsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n[nH]1 1821150977 AYIXQGUEFOTGDB-DEOSSOPVSA-N 495.608 5.194 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)c(F)c(OC)c2F)n[nH]1 1821266858 OPXVIZYROXPTBO-KRWDZBQOSA-N 490.551 5.003 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)[nH]n2)c1 1821325328 UYVFHOSQHVHJPF-QHCPKHFHSA-N 498.974 5.411 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)[nH]n3)ccc2[nH]1 1821584755 PGYHGGVMYJJAMR-LCCNJJIFSA-N 487.585 5.006 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1)c1ccc(O)cc1 1822465415 QAHJBCDZWHVPLQ-REWPJTCUSA-N 498.574 5.130 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c1 1823135902 RYSDTKJHYNAGDM-CJAUYULYSA-N 467.573 5.534 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1823656145 PNHYTCFLBGAVIS-VWLOTQADSA-N 472.633 5.106 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824139237 HRMSYUWHBGZMHT-DEOSSOPVSA-N 489.701 5.070 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCC4)CC2)c1 1824986678 OCYBUVNQDLYEAB-PZGXJGMVSA-N 483.656 5.278 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)n1 1825384973 BECSLGOILAYEHN-NDDJGDGRSA-N 485.675 5.000 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825436145 XZHZDWDILVYNNL-IAPPQJPRSA-N 489.660 5.692 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)c1Cl 1826475811 MZRWCGZSFPDYHD-HSZRJFAPSA-N 484.427 5.341 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827855885 KACYVKTWIVNGSX-KRWDZBQOSA-N 462.459 5.052 30 20 JKED C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1828485235 CPRJRJNFXKBDAN-NLSFWIRASA-N 475.555 5.247 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]3C)CC2)cc1C#N 1828487719 DESMBTHLKVJZJU-AMDXRBSFSA-N 465.638 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)CC1 1828526779 ZABGNMCTKYOELH-BJKOFHAPSA-N 464.606 5.443 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1828823318 RHFQEKCYZCFABU-UPVQGACJSA-N 454.655 5.887 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 1828829105 AAQHLVLAMQSVIZ-ZEQRLZLVSA-N 473.057 5.279 30 20 JKED CC(C)c1nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)co1 1828903606 CERRRVGDVUGZIZ-QHCPKHFHSA-N 471.718 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 1829068640 IVVYNPDDUPUHQU-JOCHJYFZSA-N 461.046 5.574 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3F)CC2)c1 1829892264 QFWDWVWHFBBKHU-MHECFPHRSA-N 465.544 5.139 30 20 JKED CCCCCc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)c1 1830168788 CUIZNRCZUULNIA-KAUHDDEISA-N 491.676 5.294 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)CC1 1830274910 PALFETFAXNFKCZ-XUZZJYLKSA-N 493.051 5.165 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(CCCCC)c2)CC1 1830344604 QGCIZVPTZWQEJX-MHZLTWQESA-N 496.692 5.091 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)CC2)c1 1830422796 ACSCKRSOCWSDBN-AREMUKBSSA-N 479.665 5.407 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1Cl 1830714897 HXLPQIYPECKEOL-DEOSSOPVSA-N 467.972 5.206 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)CC1 1830827509 HHYJEMJIHSDAKT-VWLOTQADSA-N 491.680 5.664 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cccc(Br)c4n3)CC2)C1 1830866731 GRBPYOLFDNQKCO-HSZRJFAPSA-N 496.449 5.197 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058947 AYQIEXGSSBVEPQ-AREMUKBSSA-N 470.613 6.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 1832631666 GUBMCVRPJLWCFY-MNNSJKJDSA-N 479.624 6.014 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1832825903 MTPVQKXKTKSSRY-MUUNZHRXSA-N 479.624 5.549 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1835816522 MDUZNYALIXPMHO-UHFFFAOYSA-N 481.706 5.387 30 20 JKED C=C(C(=O)N1CCCC12CN(C(=O)c1ccc(-c3cccc(Br)c3)cc1)C2)C(F)(F)F 1846015517 HCZOHZDBZIMDFP-UHFFFAOYSA-N 493.323 5.052 30 20 JKED C=CCn1c(SCC(=O)NC(C)C)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 9397806 FEQVJOAZFLGXQF-UHFFFAOYSA-N 457.603 5.271 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)nnc1-c1cccnc1 11188111 YYMBKRJITKDQMX-UHFFFAOYSA-N 498.328 5.038 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 16168893 ZTMDLLQEFJVPFH-UHFFFAOYSA-N 475.810 5.213 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OCC)cc2)nnc1-c1ccc(Br)cc1 16832635 QRQVJMSPWXLCOK-HNNXBMFYSA-N 487.423 5.412 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)nnc1-c1cccc(C)c1 18972688 XZJFZJCXUZZJRU-QHCPKHFHSA-N 478.618 5.638 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)s1 22800319 SGSCQUFRVNPGAD-UHFFFAOYSA-O 460.019 6.066 30 20 JKED Cc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1F 32059325 PXYONBBEASVDMW-UHFFFAOYSA-N 454.423 5.187 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 45936433 PKJWNWYVUVDKFP-UHFFFAOYSA-N 455.564 6.276 30 20 JKED Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c1 104611275 QVHUVLHZHCFITA-UHFFFAOYSA-N 465.509 5.155 30 20 JKED CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)sc2C1 108848534 OEXQVMWWRNZNEZ-UHFFFAOYSA-N 490.585 5.139 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(CN2CCCC2=O)c1 195635052 CKKKMLFSEPZDNE-UHFFFAOYSA-N 454.530 5.103 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c1 255426309 DEBFFMIMHGLIQW-NRFANRHFSA-N 451.523 5.196 30 20 JKED CCCCOc1c(Cl)cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OCC 303197070 GRMZEBHIRPLLAI-UHFFFAOYSA-N 456.970 5.473 30 20 JKED Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 303247347 MBGVATAJCQAORH-UHFFFAOYSA-N 483.597 5.590 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnc1-c1ccccc1C 303365036 QWKCWYAILSTOOO-UHFFFAOYSA-N 469.570 5.668 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC(F)F 481598909 RKHCUYLYPFYHDN-UHFFFAOYSA-N 485.462 5.251 30 20 JKED COc1cc(C)c(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 481682867 JDECSKOQXVDFNM-UHFFFAOYSA-N 463.509 5.266 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(OC(F)F)cc3)s2)c(C(F)(F)F)c1 487384395 HJTDBCQCXKTYFC-UHFFFAOYSA-N 453.392 5.478 30 20 JKED CN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1Oc1ccccc1 491495871 SSIKRCFYYIOTCR-UHFFFAOYSA-N 468.513 5.478 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccccc1OC 494311515 VTQVVNRLNQIPLR-HNNXBMFYSA-N 495.605 5.522 30 20 JKED C=CCn1c(SCC(=O)NCc2cccc(OC(F)F)c2)nnc1-c1ccc(Cl)cc1Cl 497001435 MMKRRRNODSLZNI-UHFFFAOYSA-N 499.370 5.448 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)nnc1-c1ccc(Cl)cc1 498366246 VQORXGZYSUJPEK-LJQANCHMSA-N 489.066 5.146 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 502643938 IGSIHZGGNFDVCV-XDHUDOTRSA-N 472.976 6.227 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 503596719 SKEZBKDOOAZPGV-QFIPXVFZSA-N 463.940 5.167 30 20 JKED C=CCn1c(SCc2cc(Br)cc3cccnc23)nnc1-c1ccccc1OC 507922216 GGSQUZAKIPQRDJ-UHFFFAOYSA-N 467.392 5.743 30 20 JKED N#Cc1ccc(CCC(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 510131018 DJQCAVALJNHCDH-NRFANRHFSA-N 485.531 5.845 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccnc1SCc1ccc(F)cc1 514425564 ZAUKOKGHPPHSFR-UHFFFAOYSA-N 470.529 6.133 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 515195582 CSBRYYCACHMAAX-UHFFFAOYSA-N 490.972 5.924 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCc1ccc(Cl)cc1 517800785 ILQQKSXWLWFEJE-JOCHJYFZSA-N 499.979 6.413 30 20 JKED CCCN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 518258951 DCLGCDSBYQHHCW-INIZCTEOSA-N 474.424 5.221 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(CCN3CCCCC3)cc2)cc1 518811031 KTNOQHHBWGZPEW-UHFFFAOYSA-N 455.627 6.131 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3C(F)(F)F)CC2)c1 520049758 KMMLAWMOGJNURY-UHFFFAOYSA-N 467.451 5.118 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 520145032 PHCMNCXWLFXZMC-HXUWFJFHSA-N 470.548 5.337 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)COc1ccc(C#N)cc1 520448177 PIHMCWYOQVAITE-UHFFFAOYSA-N 453.420 5.155 30 20 JKED C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 520950129 HNPMMYJJXBEXMM-JOCHJYFZSA-N 493.582 6.308 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCCc3coc(-c4ccc(F)cc4)n3)c2)cc1 521210847 KSUQFRTYWZWBRC-UHFFFAOYSA-N 470.504 5.490 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521324514 WLVZAFXNJWEDAS-SFHVURJKSA-N 480.611 5.654 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 521327219 XFQIVAARZHOJRM-KRWDZBQOSA-N 497.667 5.142 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccccc3S[C@@H](C)CC#N)nc(O)c2c1C 521330583 SXRIXHRNGPUFGP-SWLSCSKDSA-N 472.661 5.668 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N 521748729 ZRIFSCSOAXFNFU-DNVCBOLYSA-N 474.424 6.078 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 521752653 CWQPGRARGXONQM-KRWDZBQOSA-N 469.994 5.962 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 522560544 SDJJGKOANFUCFB-UHFFFAOYSA-N 481.581 5.315 30 20 JKED CC[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C 523355377 JPWXGNGUMOZQFU-JOCHJYFZSA-N 474.417 5.450 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)o2)cc1 524385240 PNHBDDSQRXHOSB-UHFFFAOYSA-N 452.470 5.627 30 20 JKED CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(=O)Nc1c(Cl)cccc1Cl 557575755 BRESTAWXKJLRBC-AWEZNQCLSA-N 493.460 5.341 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 557702189 PZGZAFKGZAEQLK-ZCNNSNEGSA-N 465.619 5.501 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1ccc(F)c(Cl)c1 595869193 DBXFFKZVFOGTHC-LBPRGKRZSA-N 479.846 5.487 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)OC)c2C)c1 603477770 HEYBMXLFLLXWHY-UHFFFAOYSA-N 498.988 5.069 30 20 JKED CSc1nc(C2CC2)cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1C#N 603576322 NMZSYHSYUUQFKL-QWRGUYRKSA-N 451.436 5.192 30 20 JKED C=CCN(C(=O)[C@H](C)SCc1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 603751663 ZHJXZCNDPOLGLR-KRWDZBQOSA-N 472.657 5.055 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@H]2CCCC[C@H]21 603764886 PSCZJZFDJJTKHX-ZPZUNKDASA-N 496.567 5.166 30 20 JKED CN1CCC2(CC1)C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1O2 603821227 NMUPDDLNFACCQL-HSZRJFAPSA-N 469.610 5.427 30 20 JKED CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 604519239 VXNRIMDXXZBXMJ-LXFBAYGMSA-N 499.636 5.529 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 608873722 FGPNAFHIMPXCHR-HSZRJFAPSA-N 478.017 5.166 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 608964087 DFWIQFFSOOAOLM-QHCPKHFHSA-N 450.510 5.342 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(CC(=O)N4CCc5ccccc54)cc3)o2)cc1 609060343 YTGIXZQFZVSZCP-UHFFFAOYSA-N 477.520 5.114 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609078711 JUQWOWKAMOLNDG-LJQANCHMSA-N 470.573 5.752 30 20 JKED CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609087274 FHNPQBFGEAFZQZ-UHFFFAOYSA-N 461.949 5.086 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl 609088752 JFDRMMODWQTARG-UHFFFAOYSA-N 482.367 5.350 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2)c1 609213452 LBQSAARYEYUJBH-XMMPIXPASA-N 464.997 5.503 30 20 JKED CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377479 WKRURNUZYFVGTJ-AFMDSPMNSA-N 459.615 5.414 30 20 JKED COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609386980 BUSUPPLLSKZCEM-GFCCVEGCSA-N 468.457 5.067 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1ccccc1 609434969 HWOLHVYXIYCEMJ-PMACEKPBSA-N 475.614 6.551 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(S(=O)(=O)N4CCCC[C@H]4C)c3)n2)cc1 613317964 AMUZHTYCTARDTM-GCJKJVERSA-N 479.627 5.172 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc1 613317992 CMDXMKLOBMPQJH-JOCHJYFZSA-N 452.539 6.253 30 20 JKED O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618365700 KMDYDUZBEXZCSD-ZIAGYGMSSA-N 486.387 6.351 30 20 JKED C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(CC(F)(F)F)CC1 622539425 DDQWNKGVNCVHAK-SNVBAGLBSA-N 450.345 5.117 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)NC23CC4CC(CC(C4)C2)C3)c1 725762338 PYHXIYPOBOCWEZ-UHFFFAOYSA-O 490.693 5.459 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1F 726409470 AXNXKSKKRXFLTP-OYHNWAKOSA-N 496.539 5.090 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)c(Cl)c2)[n+]2ccc(C(CC)CC)cc2)c1 726572865 QEABNIGIOIQGJH-UHFFFAOYSA-O 492.064 6.844 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)s2)cn1 727244113 UKYFKSFNLLXRHQ-UHFFFAOYSA-N 487.393 5.851 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(C)cc4)n3)s2)cc1 727974329 JKMSCZLQTIWPGK-NTEUORMPSA-N 489.622 6.473 30 20 JKED Cc1c(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cccc1[N+](=O)[O-] 728062579 PAXXPNPPDSDKGN-MRXNPFEDSA-N 464.909 5.446 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 728062655 RWDLKXPHVWOIGR-IBGZPJMESA-N 490.991 5.066 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C[C@@H](c3ccccc3)N3CCOC3=O)cc2Cl)c1 728238614 ACGGRPRESLTMMJ-QHCPKHFHSA-N 475.932 5.313 30 20 JKED C#Cc1cccc(N(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C(C)C)c1 728246716 HQURVEMGZQXNSW-UHFFFAOYSA-N 451.320 5.331 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2F)c1 728393472 XJOZUFIMUCRIEW-HSZRJFAPSA-N 475.520 5.195 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1 728669171 LLNAWZYVNFOEFU-UHFFFAOYSA-N 497.576 6.411 30 20 JKED C[C@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728670029 XUVXCJWJBUHJJO-AWEZNQCLSA-N 499.401 5.462 30 20 JKED C#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)nc1 728806183 RYAGZPKMDURYJM-SFHVURJKSA-N 457.477 5.031 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1 729143873 SEWCKGCNTRWTMG-FQEVSTJZSA-N 482.606 5.368 30 20 JKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3ccc(COc4ccccc4C#N)o3)ccc21 729413512 OBNGBODKBMVXAM-UHFFFAOYSA-N 473.529 5.670 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C(=O)OC)co2)[n+]2ccc(C(C)(C)C)cc2)cc1 729669509 ZRUAUXZYMRKIOB-UHFFFAOYSA-O 481.594 5.101 30 20 JKED COc1ccc([C@@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](C)n2cccn2)cc1 729802054 FDPLLGRFBWYLIP-CJAUYULYSA-N 457.486 5.095 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(C)c(F)c1 730536112 LXOSYDLFTKGTMP-NRFANRHFSA-N 455.555 5.069 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1c(C)nn(Cc2ccccc2Cl)c1C 730566518 SKCANAHFQABBML-UHFFFAOYSA-N 481.025 5.160 30 20 JKED CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 730665578 PAAMXZGLDPQSOW-UHFFFAOYSA-N 484.984 5.867 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 730952902 YPRTYOZUZBOFJC-AWEZNQCLSA-N 458.659 5.788 30 20 JKED COc1cc(/C=C\C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1OCc1c(C)noc1C 730995878 VUBJAKQGWQERKG-LUJNMSEFSA-N 477.586 5.783 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731305101 GWLBPOZNULHYKB-VFNWGFHPSA-N 480.977 5.162 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 731411308 WFHCGTQOOUKAOB-BEFAXECRSA-N 461.543 5.056 30 20 JKED CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 744766739 RPQJADAMVXCWEW-VWLOTQADSA-N 480.534 5.957 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)s2)cc1 744781786 GDNLLWROAKMOKW-UHFFFAOYSA-N 474.615 5.595 30 20 JKED COCc1c(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)sc2cccc(F)c12 746221168 NEAVOOIZKPPGDJ-UHFFFAOYSA-N 450.491 5.095 30 20 JKED COc1cc(C(=O)/C=C\c2c(C)nn(Cc3ccc(C)cc3)c2Cl)ccc1S(=O)(=O)C(F)F 747065957 GFXKKFRZJTUGOO-KTKRTIGZSA-N 494.947 5.103 30 20 JKED COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)cc1OC 747434383 KFBSEBLHGQOAPA-XMHGGMMESA-N 479.540 5.101 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccccc1F 747602322 ZNIZRTIPSHWKNU-SFHVURJKSA-N 492.960 5.235 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2C)n1 748036446 NVMGPPJHFJQJRP-JOCHJYFZSA-N 492.576 5.007 30 20 JKED CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1OCC 748583565 GGZQWYKYSPVQAA-BJMVGYQFSA-N 474.351 5.489 30 20 JKED C[C@@H](NC(=O)CC1CCCCC1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 750398920 WOLSXTDEFDRFLX-CXAGYDPISA-N 464.418 5.768 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 750702701 PHIVCNAZXINQPC-LJQANCHMSA-N 450.539 5.119 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C(C)=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 771743659 NIHIALNXIOAOEP-HXUWFJFHSA-N 476.385 5.404 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NCc2ccc(-c3ccncc3)cc2F)cc1 864001276 VTDFAKVWIJQBFV-XLVZBRSZSA-N 466.582 5.093 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(C)=O)C=C1)=C(/S)Nc1ccc(Cl)cc1 912822267 AEKVVUPWORQHIR-UHFFFAOYSA-O 452.987 5.284 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)c3ccccc3n2)c(C)c1 914850894 UMFFJMOIAYIQQJ-UHFFFAOYSA-N 477.568 5.218 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@@H]1c1ccccc1OC 915085098 GCHNDYYBNOWZEP-VWYPKUQYSA-N 495.623 6.069 30 20 JKED Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915086318 JHRFGJUIFURGSZ-SANMLTNESA-N 499.567 5.843 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 915101700 HAOINIYTVYZWSJ-KRWDZBQOSA-N 469.360 5.421 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915199830 NMPVYUHOXOZSBX-HSZRJFAPSA-N 451.551 5.932 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C2CCCC2)C1=O 916205811 RJLDOSZARUUXMK-FQEVSTJZSA-N 457.983 5.252 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1F 916206785 VRFQPVPAONJMLQ-GOSISDBHSA-N 478.933 5.004 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916881053 KTHLWGWNECTFOD-HNNXBMFYSA-N 458.326 5.268 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887996 SAAFIFZYRIJAKC-HXUWFJFHSA-N 493.539 5.094 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 916906466 UATMCAHYVITPBN-REWPJTCUSA-N 482.540 5.070 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc12 916936182 CPDXAAYEGQXBST-MRXNPFEDSA-N 470.888 5.288 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 916954173 XFOCINWHMGMLCU-WLHRWRHDSA-N 456.342 5.094 30 20 JKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 916967311 SULRBYJYPDQRIW-DEOSSOPVSA-N 484.552 5.295 30 20 JKED Cc1cc(C)c(N2C[C@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c(C)c1 917043913 PDXIGQJZUZBHHO-NVXWUHKLSA-N 471.504 5.470 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cs1 917560744 YGVGGNYDCLNXKD-SDNWHVSQSA-N 462.575 5.562 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccccc2Br)cc1 917613306 OPUVQFVLJGWZRE-UHFFFAOYSA-O 493.450 6.229 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1C1CCN(C(C)(C)C)CC1 917664426 HXSOKLVHWRXURG-QHCPKHFHSA-N 496.652 5.357 30 20 JKED CCC(=O)Nc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)c1 917675518 MFUAGLIOPCWAJJ-HSZRJFAPSA-N 486.597 5.196 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc([N+](=O)[O-])cc2)cc1 917682652 KJXUBLBVIINXOZ-QFIPXVFZSA-N 492.532 5.203 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nnc(C(C)(C)C)s2)ccc1Cl 917857755 JHHSDCHQTWCUDI-UHFFFAOYSA-N 491.038 5.123 30 20 JKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)on1 917876951 VHHBQTLRLSNNCI-UHFFFAOYSA-N 475.957 6.845 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 918803676 IINXHVROAJAJGN-UHFFFAOYSA-N 472.482 5.166 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 919883222 AYVPKWVKLZJYNL-LBPRGKRZSA-N 474.797 5.069 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)n2)cc1 920143913 LIZFCYLMNNQLLG-LIRRHRJNSA-N 486.380 5.355 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(Cc2cc3ccccc3s2)C1=O 920479168 OJKLRLMSHOGWDB-GOSISDBHSA-N 493.532 5.068 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920805899 HALBXFITXWINQL-RISCZKNCSA-N 479.371 6.208 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)n2)cc1 920806451 LNJCEHDZHBRZAQ-MRXNPFEDSA-N 480.496 5.346 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 920870135 GVSLBIHNGSTHDE-MBSDFSHPSA-N 461.587 5.083 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 920871754 XRSMBMPGTRCVOD-GAJHUEQPSA-N 467.635 5.163 30 20 JKED COc1cc(/C=C\C(=O)c2cc3cccc(OC)c3o2)c([N+](=O)[O-])cc1OCC(F)(F)F 921260540 BSXSEYMIYWTMMI-SREVYHEPSA-N 451.353 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1Oc1ccccc1)C2 1779513754 SAWGZYQKKGIWQS-PDDLMNHVSA-N 490.644 5.599 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(F)c(Cl)c2)C1 1781118809 HXAWXUCJJOFLNH-WPSZSDGUSA-N 483.411 5.028 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ncc[nH]5)cc4)CCC3)cc2)cc1 1785797876 RSTQMOSDYUYKEE-UHFFFAOYSA-N 489.579 5.329 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CSC3CCCC3)cc2)CCC1 1786348281 HUPYYTSKXKWVCY-OUKQBFOZSA-N 468.644 5.297 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3ccccc3C(F)(F)F)CCC2)cc1 1786677407 WKLTYUQUJQTEAA-UHFFFAOYSA-N 462.537 5.301 30 20 JKED Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1787105861 SOUJXBDIHTWHKH-UHFFFAOYSA-N 456.546 5.044 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnn5c(-c6ccsc6)ccnc45)cc3)CCC2)C1 1788393583 XYBRTRRJGLLECZ-UHFFFAOYSA-N 483.597 5.172 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc4nc(Br)sc4c3)cc2)CCC1 1789341679 XGKZACQALLOPRH-UHFFFAOYSA-N 470.392 5.383 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cncc(C(F)(F)F)c3)CCC2)cc1 1789456108 LGZWQVWOGQFVAT-OAQYLSRUSA-N 457.496 5.617 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)cn4)cc3)CCC2)c1Cl 1789733350 AAQJGTLPWNLHJN-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nc(-c6ccccc6)ccc45)cc3)CCC2)CC1 1789990866 SOGVNEREPLBOMT-UHFFFAOYSA-N 475.552 5.281 30 20 JKED CC(=O)Nc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)ccc1C 1790748243 RQYYVYVMRRFELW-UHFFFAOYSA-N 480.568 5.081 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)cc1 1790856916 QWTRCWREKRWANR-UHFFFAOYSA-N 474.564 5.487 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(-c5nccs5)noc4c3)CCC2)cc1 1791576197 WOUPVBVALGMKDK-CQSZACIVSA-N 478.599 5.017 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)/C=C/C4CCCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681248 ACBTWCMXCFHZCM-RLMNYEENSA-N 493.648 5.433 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791726438 UYNHUZJHLIZCCR-QFIPXVFZSA-N 495.664 5.351 30 20 JKED COc1cscc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792123760 QHANFNCERGLXGS-QGZVFWFLSA-N 459.571 5.445 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4F)CCC3)cc2)c1 1792126914 OJDIROUOZOFSFW-LJQANCHMSA-N 471.532 5.279 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4-c4ccc(F)c(F)c4)CCC3)cc2)CCC1 1792229883 DFSPSTHNRFAEEJ-UHFFFAOYSA-N 486.522 5.468 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)c(F)c2)C3)cc1 1792482172 MVNOTHYHQPXFJF-OOSCYNTBSA-N 481.571 5.249 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)c1ccccc1 1798556962 PKEPVSVQMQRGKN-ZFFYZDHPSA-N 493.529 5.026 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(ccc3ncccc32)s1 1799124016 GEOFPHKTCIBDBK-YRPNKDGESA-N 459.615 5.470 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)c(F)c2)c1Cl 1799340088 KEQLWBGUXGJYJH-KOUNCHBCSA-N 487.962 5.583 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3ccccc3c2Br)c1 1801097145 SDHUCRLYBWNZBA-WKCHPHFGSA-N 488.385 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1802489908 BHAIPVJUYZLQCB-UFHPHHKVSA-N 485.628 5.312 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4C[C@H]4c4ccc(F)cc4)C3)CC2)c1 1805302454 KLYAKCNYVJOIQQ-BQQUOAEZSA-N 473.592 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1807970709 JEZQGRQYRKOSGF-NQIIRXRSSA-N 482.675 5.373 30 20 JKED O=C(CCC(F)(F)F)N1CCCC2(CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)C1 1809487275 UGVGDHKONBSGHV-UHFFFAOYSA-N 468.413 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1809754685 DKHVJYFOIXSAID-YCRNBWNJSA-N 465.644 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1810171888 LBXIGVUSXZLZGA-GEBXHLAXSA-N 494.639 5.540 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2)CC1 1810784330 YKWWMCNZTLZSNR-OAQYLSRUSA-N 491.717 5.149 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(F)F)cc2F)[C@H]1c1cccnc1 1811385823 YMOFDXBTDSWEJZ-PGRDOPGGSA-N 489.538 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1811766731 NKLAANCTAFMFFA-VIZSFHNOSA-N 471.523 5.188 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(Cl)cn3c2C)[C@@H]1c1cccnc1 1812257759 YXEFVTSDUAYDBC-YKSBVNFPSA-N 494.039 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2ccc(OC)cc2)[C@H]1c1cccnc1 1812421985 KBBICEQWTCCWGN-DUPVDZBCSA-N 475.633 5.192 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1812903719 MFSPMYMCVKYDMT-LSYVANFTSA-N 479.024 5.143 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)[nH]n1 1814445306 JIIGPFLKCYFNFC-NRFANRHFSA-N 450.583 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(F)ccc2Cl)n[nH]1 1815574441 QGYZDYXEPVCLIQ-NQIIRXRSSA-N 458.965 5.205 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(CC(C)C)oc4ccc(OC)cc34)n[nH]2)C1 1817711447 LUIYQBGWESQAJH-JOCHJYFZSA-N 490.604 5.635 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)c1cc2c(Cl)cccc2s1 1818775032 IPVRFDQSCUGJIC-CRXVIZHGSA-N 499.040 5.055 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818813222 PJBLRXAUOTVLJG-GTCGAKFVSA-N 479.540 5.355 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1819303960 UTMDDPAJBNZJPP-QPPBQGQZSA-N 475.568 5.618 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1819305250 FTYGLSINJLJODX-RHSMWYFYSA-N 450.461 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccc(C)cc2)[nH]n1 1819306621 ABTWGPMBFWHXQE-IFMALSPDSA-N 452.624 5.271 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sccc2Cl)[nH]n1 1819384836 ANGIGYCIAIVATM-GOSISDBHSA-N 477.106 5.482 30 20 JKED Cc1ccc(NCCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(C)c1 1819465107 YKZDOJNITCDXLZ-RLWLMLJZSA-N 498.631 5.462 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1c[nH]c3ccc(OC)cc13)CC2 1819603559 WHHYTAFTPIWERN-QGKOQGRUSA-N 490.629 5.027 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)[nH]n1 1820977268 VPIAZXCDFCZEAK-MGPUTAFESA-N 494.423 5.142 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(OC)cc2F)n[nH]1 1822253752 CXMPPDPWJNLMPO-WESRHKKESA-N 466.557 5.031 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1822397169 HCORHTAUNBSERZ-GOSISDBHSA-N 466.891 5.191 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)[nH]n1 1822399933 FMTYXYSVETVVFC-QFIPXVFZSA-N 478.980 5.524 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(C(F)(F)F)o1 1823210373 BBTNFPIZBLRLLC-XOBRGWDASA-N 499.493 5.577 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cccc2OC)n[nH]1 1823248708 QNZVOABHRWMLJC-IBGZPJMESA-N 456.974 5.146 30 20 JKED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1ccccc1 1823495256 DMWOZJIMERTPLW-AOMKIAJQSA-N 461.953 5.044 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C)c3ccccc23)n[nH]1 1823604774 NZHYPXWTGQXECJ-VWLOTQADSA-N 456.590 5.300 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cn(C(C)C)cc3C(F)(F)F)CC2)C1 1823700616 ZEYODTIGFJJQLO-QFIPXVFZSA-N 465.560 5.287 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1823718892 WYDDDXGYMGLHGW-RALKEJGDSA-N 461.631 5.265 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1 1824054531 YCBNBYPCNOFCNA-NDEPHWFRSA-N 469.629 5.302 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 1824143426 MTTTXDDAMXOTBT-NRFANRHFSA-N 463.544 5.102 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CSC3CCCC3)CC2)c1 1824480554 XTAOYNQBVVZRTO-CJFMBICVSA-N 467.679 5.223 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1824960968 BPWRLHNOSPKBBJ-XMMPIXPASA-N 491.657 5.580 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)cc1 1828009848 PBIAQRJNDMYBOL-MHZLTWQESA-N 451.570 5.259 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1828154113 RYLLLESEGHKNNL-AREMUKBSSA-N 489.019 5.549 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 1828456902 YVLDERFPISCQND-WOHWVRMTSA-N 475.677 5.327 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)CC1 1828601951 MQNIWYZVMOAYTQ-IBGZPJMESA-N 475.452 5.473 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1)C(F)(F)F 1829647845 UTNJMRXRGZMVLK-QFIPXVFZSA-N 493.570 5.085 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1829690116 LJDANMFRCQRPAS-OFNKIYASSA-N 454.014 5.191 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)CC2)C1 1829903404 DSVXQONCGZGYHJ-AREMUKBSSA-N 458.602 5.678 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c1 1829968808 ZZXFYHHMLVOSGA-VWLOTQADSA-N 464.009 5.078 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)CC2)C1 1830872759 GPNRBRWPYBRBHZ-XMMPIXPASA-N 451.998 5.088 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686035 KXMFWYVRIDTUQM-CWHMAMJXSA-N 473.455 5.294 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1831847176 VEKFVPZIRAWYOS-DEOSSOPVSA-N 476.583 5.451 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1831858546 WLQNQWHFFYUYLJ-SANMLTNESA-N 468.601 5.106 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c1Cl 1832023031 FMGNPHAHFMVHSG-ISJGIBHGSA-N 476.020 5.249 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CC1 1832703683 PRPCHGQKWHPGRB-ZEQKJWHPSA-N 477.649 5.325 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cccc1C(F)(F)F 1832704587 MJGUWHKYGFGFQN-VWLOTQADSA-N 497.561 5.627 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1832726729 LYFKLNMUUOGTMD-DEOSSOPVSA-N 467.972 5.206 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832727853 ZHYYUOYXIDRGCY-SANMLTNESA-N 491.607 5.340 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)cc(OC(F)(F)F)c3)CC2)CCC1 1832785154 JXYUQQCEHVYOPC-HXUWFJFHSA-N 497.945 5.166 30 20 JKED CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1)c1ccccc1 1837632265 AKRRUZQRABRQQR-DFHRPNOPSA-N 487.644 5.120 30 20 JKED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CC2)CC1 1838678813 ZLTGFPNEWOBPIV-IBGZPJMESA-N 488.738 5.212 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccc(F)cc34)CC2)cc1 10707764 JBBAFWHSVDUVLR-UHFFFAOYSA-N 498.577 5.652 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)c1 11262007 WJIMZYKBLBVTQG-UHFFFAOYSA-O 451.637 5.591 30 20 JKED Cc1cccc(-c2nc(CC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)c1 14633355 KGEIIBOBWZCFMJ-UHFFFAOYSA-N 463.613 5.315 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)nnc1-c1ccc(Cl)cc1 21284059 QXCIPHGBDRMSDV-UHFFFAOYSA-N 493.036 5.626 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2SCc2cccs2)CC1 21710274 URNANJFOJGEMLP-JOCHJYFZSA-N 451.592 5.202 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3ccc(OCC)cc3s2)nnc1-c1ccc(F)cc1 21996247 ABLQKFXERPLARF-UHFFFAOYSA-N 469.567 5.009 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22693062 GJRSXCBYSVPXNI-UHFFFAOYSA-O 487.670 5.672 30 20 JKED CCN(CC)C(=O)c1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 27464259 IMLWYOVYGHXWCC-UHFFFAOYSA-N 457.599 5.263 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 32034785 JXNOXGJKDYCGIF-UHFFFAOYSA-N 463.541 5.374 30 20 JKED C=CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 71822492 GVARMVHBKNZUBE-UHFFFAOYSA-N 488.318 5.517 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 78668917 ITXGDXGFHFCLJS-UHFFFAOYSA-N 457.349 5.879 30 20 JKED Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Br)c1 97543257 BHMUATIGWOEXGE-KRWDZBQOSA-N 464.363 5.647 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc3nc(Cl)ccc3c2)n(C2CCCC2)c1C 107661984 VZMMUVGBXDAYMR-UHFFFAOYSA-N 450.926 5.089 30 20 JKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 216188662 KROYWAUPUFDNQD-UHFFFAOYSA-N 497.168 5.459 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)c2)c1 303051873 VODZNMYVLZVSDM-FGZHOGPDSA-N 460.331 5.315 30 20 JKED COc1ccccc1N1CC[C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 303178934 ZWJJTIONYPBHLO-QFIPXVFZSA-N 457.599 5.115 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 303402858 RODUBYIPQYVWII-UHFFFAOYSA-N 459.493 5.717 30 20 JKED Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C 481947181 RLLHYBIYCABDKK-SANMLTNESA-N 483.568 5.227 30 20 JKED O=C(NCc1c(F)cccc1Cl)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 499070284 QAOQZLJTZSJWQK-UHFFFAOYSA-N 465.756 5.632 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3nc(C4CC4)n(-c4ccccc4Cl)n3)c2)c1 499750944 QJZMOKHWENUHFZ-UHFFFAOYSA-N 482.931 5.174 30 20 JKED CSCc1nc2ccccc2n1CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 501153060 YVDNALHTFRHUPZ-UHFFFAOYSA-N 458.562 5.452 30 20 JKED Cc1oc2nc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)nc(NC(=O)c3ccccc3)c2c1C 501654164 DQDXEQOAZLEIGF-IBGZPJMESA-N 499.596 5.519 30 20 JKED Cc1nc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)sc1SCC#N 504730068 IRBDSWVZUCIMHI-UHFFFAOYSA-N 471.452 5.196 30 20 JKED N#Cc1c(NC(=O)CCN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)sc2c1CCC2 507949887 OOHKFFXMAYMQON-MRXNPFEDSA-N 482.009 5.020 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 509866459 PCIFXOMVONRXSS-UHFFFAOYSA-N 498.461 6.086 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510004977 IKYHPMBVHLXORE-NRFANRHFSA-N 471.948 5.698 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 510273963 XIPIFVOJRAORJD-UHFFFAOYSA-N 483.568 5.305 30 20 JKED COc1ccc(-n2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1 510641652 SHPBDQVLOZHANU-XMMPIXPASA-N 471.948 5.511 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 511131149 MWOUOWAWZDKUIW-QHCPKHFHSA-N 465.534 5.481 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N1CCCCC1 511386221 XBPMTFLMFHCEQL-NDEPHWFRSA-N 498.627 5.689 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C#N)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 514988868 PFMQBVAZUBBETJ-SFHVURJKSA-N 476.364 5.050 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1Cl 515774149 DLAKYTNHKNYHSF-XMMPIXPASA-N 472.976 5.440 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4cc(Br)ccc4o3)n2)cc1 516269865 BDLPMIRRZZKKAS-INIZCTEOSA-N 453.317 5.817 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 516418456 KYTLTMYAXUQFHP-JOCHJYFZSA-N 460.921 5.010 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1 517517566 CHTQDJBGKKADIZ-HYBUGGRVSA-N 457.599 5.889 30 20 JKED Cc1c(NC(=O)c2ccccc2I)cccc1NC(=O)C1(C#N)CCCCC1 517779056 HOZMTTWPUITDMT-UHFFFAOYSA-N 487.341 5.265 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 519455194 DPCQXUROWQUDLJ-UHFFFAOYSA-N 476.421 5.522 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 520148100 HHFXZQTXWXYIIA-UHFFFAOYSA-N 480.362 5.146 30 20 JKED C[C@H](NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 520438690 NMLBLTAYYZYTHJ-IBGZPJMESA-N 460.528 5.014 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523233101 IKJVAIUEIXNVIC-MHZLTWQESA-N 493.994 6.260 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)sc2c1CCCCC2 602774243 COTVAJRDJXXRIJ-UHFFFAOYSA-N 486.626 5.262 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1C(F)(F)F 603564368 GTMXKLHQGCXNGY-UHFFFAOYSA-N 453.449 5.447 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)c1C 603903680 SDMIWPRFOWQMIQ-UHFFFAOYSA-N 469.010 5.287 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 603946417 DGZSAZKOEXVYDN-UHFFFAOYSA-N 478.986 6.210 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604026428 HWYAOGXUBGBPEI-OAHLLOKOSA-N 465.962 6.082 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCCOc2ccc(Cl)cc2)cc1Cl 604140590 UJFOFBJUIAIZJO-HSZRJFAPSA-N 496.394 5.563 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)CCCc4cccs4)c3)cn2)cc1 604242400 PCEXSWTXFCTTDL-UHFFFAOYSA-N 482.565 6.021 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 604244430 QQVLZCDHDBRKHB-NRFANRHFSA-N 477.630 5.142 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(-c4cc(Br)cs4)no3)cn2)cc1 604335990 YJRMSBHFWLRDQL-UHFFFAOYSA-N 496.346 5.191 30 20 JKED Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC5CCN(c6ccc(C#N)cn6)CC5)(C4)C2)C3)cc1C 608951627 POSWOAFIUVQQJP-YTRHQRTHSA-N 468.645 5.193 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)COc3ccc(F)cc3Br)cc2)c1 609064432 WCGIIQVCRZWDRV-UHFFFAOYSA-N 455.283 5.056 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C#N)ccc1OC(F)F 609083364 NACDKKZXWVSDCH-UHFFFAOYSA-N 454.246 5.281 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nc(C)c(-c2ccccc2)o1 609326771 YWFZFWXGODKXHM-UHFFFAOYSA-N 453.517 6.135 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 609378614 ZARHVLPXGYEIPW-UHFFFAOYSA-N 498.939 6.145 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 613402711 GFOANAPHLUPHJT-IBGZPJMESA-N 481.986 5.265 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cc(Br)cs2)nnc1-c1cccc(C)c1 613930097 CPVADQQCHNKRPR-UHFFFAOYSA-N 477.453 5.014 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 622284237 VBCKHAOZGYYSJF-QMMMGPOBSA-N 461.328 5.842 30 20 JKED CC(C)(C)n1ncc(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1C(F)(F)F 622585444 ZGCIGNOLVOKVKV-SFHVURJKSA-N 451.386 5.387 30 20 JKED Cc1nc(COc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)no1 642281725 FIPDGFICCDPMEH-GOSISDBHSA-N 450.907 5.224 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 645079418 ZOKHCTDMJZZCQW-MRXNPFEDSA-N 470.982 5.018 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cc3ccccc3o2)cn1 726111595 LGDVQESOFLNAIM-HSZRJFAPSA-N 487.585 5.118 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 726398644 LJWJVQZYQKUULG-XCLFUZPHSA-N 495.979 5.312 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 726409827 DQZLUNDTUNLEAA-SBUREZEXSA-N 489.000 5.438 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OCCC)C(=O)N2Cc2ccco2)c1 726411998 PSNLQHVYQKVEHI-XMMPIXPASA-N 487.581 5.210 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(F)(F)F)cc1 726414724 DXXKDXMLAXVSJX-GOSISDBHSA-N 483.487 5.136 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CC1)c1cccs1 726419743 GRISQUVAPPVMIX-VEODCFSTSA-N 468.431 5.607 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N\[C@H](C)c1cccs1 726421568 NXOCZPGYFDQQRE-BWXASHAWSA-N 459.637 5.337 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N/[C@H](C)c1cccs1 726422906 YHBRPMLSUYZFTK-IBDZRHARSA-N 480.055 5.216 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(C)[nH]c2C)cc1 726572507 YLZZWGBOSCWACN-UHFFFAOYSA-O 463.627 5.329 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1=S 727431789 VZSKMKXUOLWBHL-QFIPXVFZSA-N 498.027 5.465 30 20 JKED N#CCCN(C(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccccc1 727898091 XTKYUZIMSXQIPH-UHFFFAOYSA-N 484.487 5.010 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 728147264 CRHJEMQZWZEACW-QHCPKHFHSA-N 477.476 5.484 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)cc1 728777592 LLMCHSGBEOZTFV-JOCHJYFZSA-N 466.582 5.603 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 729562261 ADPWZYHXYSLCSA-SFHVURJKSA-N 484.984 5.773 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(C3CCC3)C2=O)c(OC)c1 730461395 NYQJVQFCTIPSIR-XMMPIXPASA-N 489.597 5.370 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc(N4CCCC4=O)cc3)cc2OC)cc1 730577531 AELDAOTUMWKSAW-CHHVJCJISA-N 485.536 5.084 30 20 JKED COc1c(F)cc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2C#N)cc1 730766771 XUWUYIMPKVYBOH-UHFFFAOYSA-N 477.311 5.062 30 20 JKED CC(=O)N1CCc2cc(C(=O)[C@@H](C)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccc21 731039907 CNWZAEPGBJUYDO-CQSZACIVSA-N 461.509 5.303 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 731062657 KMPGAKJMOQRIJH-GOSISDBHSA-N 499.567 6.088 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 731070575 VABWDVKLAPNCEB-GFCCVEGCSA-N 462.358 5.664 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Br)cc1Cl 731074831 SAUHYOWDICJHTL-LBPRGKRZSA-N 467.772 5.150 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731305244 ANBAVEWQIVTMGC-LJQANCHMSA-N 486.018 5.576 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731312018 HOBPAFLCDKHNJN-VWLOTQADSA-N 496.592 5.409 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1Cl 731316257 UWWGEOMVEPBXQL-HXUWFJFHSA-N 497.001 5.139 30 20 JKED CC(C)(C)c1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 731406396 LBDOTZPEIJIHFR-UHFFFAOYSA-N 496.611 5.372 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nnc(-c2cccc(C)c2)o1 745956481 BSZFVVCXEOHMLO-MRXNPFEDSA-N 467.982 5.908 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C)c1 746696974 XEHSJAOJXKVHTA-OAQYLSRUSA-N 475.561 5.050 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cscn2)c1 747602177 YNBSOSFBJDBBAY-LJQANCHMSA-N 471.007 5.265 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 748003940 MGGGXQFLSZOMCZ-LJQANCHMSA-N 484.493 5.472 30 20 JKED CC[C@H](C)n1c(-c2ccccc2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 749890336 ZOQNJZAPDYOCTI-KRWDZBQOSA-N 459.541 5.946 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(CC)cc1 799221256 MVAOBSITTIEITH-GOSISDBHSA-N 460.386 5.149 30 20 JKED C=CCOc1c(Br)cc(/C=C2/SC(=S)N(CC(=C)C)C2=O)cc1OCC 814292251 SIXNJCAMEYIUFI-MHWRWJLKSA-N 454.411 5.190 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 837884234 MNTNMIHLXBIZLW-IIBYNOLFSA-N 464.978 5.457 30 20 JKED Sc1nnc([C@@H]2COc3ccccc3O2)n1N=Cc1ccc(-c2ccccc2Br)s1 912794864 UCLIYLIOLNSJID-SFHVURJKSA-N 499.415 5.453 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O)Nc1ccc(SC(F)F)cc1 913098808 GYQZJDXEJWMIGJ-CQSZACIVSA-N 491.463 5.148 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3sccc3C)C2=O)c1 914546351 NYUJBTQIWBMOKT-FQEVSTJZSA-N 465.600 5.226 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 915569914 ALLDPDQZJNZSMB-CYBMUJFWSA-N 485.924 5.157 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2cccs2)cc1 915743820 VCAMZKQHRIMHLZ-XTEPFMGCSA-N 493.632 6.371 30 20 JKED COc1ccccc1-c1nn(CN(CCC#N)Cc2cccnc2)c(=S)n1-c1ccc(C)cc1 915795677 GHYRIMZWACOUHU-UHFFFAOYSA-N 470.602 5.156 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1 916051028 JTLXRRNUMMIQHA-QFIPXVFZSA-N 477.362 5.255 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(C[C@@H]3CCCO3)C2=O)c1 916207048 XDSPOSMHCIFNSI-AVRDEDQJSA-N 486.037 5.405 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)c1 916212478 WGQAHAKBFIQVSZ-QHCPKHFHSA-N 476.577 5.041 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C[C@H]2CCCO2)C1=O 916212913 UHYBNVMSHSTFRQ-XLIONFOSSA-N 492.428 5.441 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)cc1 916213842 GNWKNBVIBKJLCW-KRWDZBQOSA-N 466.390 5.372 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1OCCOc1ccccc1Cl 916307850 UGMGXTGPUZXXIL-UHFFFAOYSA-N 480.977 5.236 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2cccs2)ccc1OCCOc1ccccc1Cl 916314215 PNZFWAWDAGUKDI-UHFFFAOYSA-N 487.006 5.297 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1Cl 916939927 VKMXYRXPHOCECA-INIZCTEOSA-N 460.342 5.016 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 916949290 NLWUIJHMFQRZTC-JTSKRJEESA-N 459.571 5.153 30 20 JKED N#C[C@@H](C(=O)CSc1nncn1-c1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 916977138 LBJGNCPCLYBXRZ-KRWDZBQOSA-N 486.409 5.666 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc(-c2ccc(Cl)cc2)cs1 916977818 ZQPSBYMGRVHHDO-QGZVFWFLSA-N 470.406 6.659 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 917042897 ITLZWDHRCVOVAC-RISCZKNCSA-N 450.308 5.551 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cs1 917561377 DWMSAMKDPNBGPS-DTQAZKPQSA-N 458.970 7.044 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc3ccccc3c2OC(F)F)cs1 917562858 LJBORGYTRGPQBC-UVTDQMKNSA-N 478.520 6.787 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)c1 917664992 XTOQQMLETQSFHI-QHCPKHFHSA-N 495.551 5.272 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(Cl)s1 917703733 OXVVKIHGYZIEDW-LJQANCHMSA-N 481.002 5.434 30 20 JKED C=CCN(C(=O)c1ccc(-n2cccn2)nc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 918551920 HQROXIWDPDVIPG-UHFFFAOYSA-N 463.566 5.891 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920108683 AEKQQIILYSOAHF-KRWDZBQOSA-N 483.293 5.350 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3c(C)noc3C)C2=O)c1 920353497 LIKLWYWHUDAKFT-QHCPKHFHSA-N 492.601 5.077 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)cc1 920355193 LUPIBUSOAIUQEA-HSZRJFAPSA-N 476.602 5.377 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786058320 HNCBQTOKXPLEML-RJGXRXQPSA-N 481.637 5.026 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CC4(CC4)CN3C(=O)OC(C)(C)C)cc2)CCC1 1786174365 IHCTXIVTSXWQGA-QHCPKHFHSA-N 493.648 5.104 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC2)cc1 1786544460 GJCJHVHQSCZQII-XLIONFOSSA-N 491.579 5.025 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1)c1ccc(O)cc1 1788879750 BHOQICNCTPQLHM-LJQANCHMSA-N 476.960 5.584 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4N=C(C)CC4=O)cc3)cc2)CCC1 1790324755 KNGBZZUYAXQZOF-VWLOTQADSA-N 484.600 5.315 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CC34CCCN3CCC4)cc2)CCC1)c1ccc(O)cc1 1790459042 DXSHNUBZQYJFTI-XMMPIXPASA-N 499.655 5.042 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1790564503 DMWPVNABYTWFNQ-OAHLLOKOSA-N 485.009 5.498 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)CCc5ccc(C#N)cc5)CCC4)cc3)c12 1790919161 ZJEOCZDCUXKCLO-UHFFFAOYSA-N 492.579 5.429 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791711139 ATCJVLYAGMRWBT-NRFANRHFSA-N 497.680 5.760 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCc5ccccc5[C@@H]4O)CCC3)cc2)c1 1792122512 BNOSHDLWYDSIMZ-ANFLZCCJSA-N 493.607 5.357 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCCCO)cc4)CCC3)cc2)c1 1792124943 PTNGHSONAZENMQ-OAQYLSRUSA-N 497.595 5.136 30 20 JKED Cc1ncccc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792169335 DQQRPYJXBVDJFO-UHFFFAOYSA-N 496.611 5.429 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)cc2)CCC1 1792391433 APDSJIRAGHLDPH-TUACAJSNSA-N 495.664 5.534 30 20 JKED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCCc1ccccc1)C2 1795860719 YVEZCZVRAUAWAN-OOSCYNTBSA-N 451.655 5.682 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2ccccc2c1 1796721780 UZVKKKFQJUPLFC-KOUNCHBCSA-N 481.434 5.623 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccc(O)cc1 1797878180 JEDFHIOIWRABNK-YLEPDLMKSA-N 476.661 5.134 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1803602662 TWKKXZAROCBDGG-FOVJLYNBSA-N 498.048 5.269 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc([C@H](C)C#N)c3)cc2n1 1803681869 ZRVJQNFLSPGJAV-LTFXSFKNSA-N 487.003 5.389 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3csc(-c4cccnc4)n3)CC2)C1 1804858910 WXVAPEYIPXFLDF-UHFFFAOYSA-N 466.651 5.042 30 20 JKED Cc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4Cl)CC3)C2)cc1Cl 1805081771 WNSDTMDOJGYJLA-UHFFFAOYSA-N 470.400 5.332 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1807210703 QWMPKHRCDUXVMB-JTHBVZDNSA-N 498.465 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC[C@H]2CNc3ccccc3C2)[C@@H]1c1cccnc1 1807212112 KGYPBERQTLVZKF-OKEQGEBHSA-N 488.676 5.144 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](CCC)n2cccc2)[C@H]1c1cccnc1)c1ccccc1 1808341012 CHRGINBIDZMADD-VJLHXPKFSA-N 496.655 5.128 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1 1808383456 LFPWXJFYXANZRX-UHFFFAOYSA-N 482.024 5.569 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5c(s4)CCC5)C3)CC2)cc1C#N 1808802925 YLODZYJRUJHWBD-UHFFFAOYSA-N 491.657 5.054 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)C1 1809509508 FIWZZZMCRWMYOI-UHFFFAOYSA-N 466.585 5.050 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1810409921 OUEBDPZDMVEYKC-YIXXDRMTSA-N 491.607 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(C)C)nn3ccccc23)[C@@H]1c1cccnc1 1810495706 VNNYKPUVGITWQH-ATIYNZHBSA-N 487.648 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1c1cccnc1 1810500810 XSVKNVHBGHNMDG-BWKNWUBXSA-N 458.606 5.183 30 20 JKED C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(CCCC)cc3)cc2)[C@H]1c1cccnc1 1810600659 DEOVHOUGXXDMHD-LMSSTIIKSA-N 465.597 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1811228820 LEZQTKOYXQHDDG-AOYPEHQESA-N 475.633 5.347 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1811254800 OCFGSGZPLFJBKI-SQJMNOBHSA-N 482.024 5.222 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1811716737 RFZSJVHLHPESDI-XMSQKQJNSA-N 474.432 5.700 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302909 KLHHOAPDCCUZMW-NYUJMHJJSA-N 498.583 5.102 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1814964086 RCNQQERWXVHYDT-QHCPKHFHSA-N 481.717 5.031 30 20 JKED CO[C@@](C)(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](S)C(C)C)n[nH]1)c1cccc2ccccc12 1815246006 FFRIDZPGKCDUSN-RWCIVJTCSA-N 494.661 5.071 30 20 JKED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)[nH]n1 1816746375 DITWXIHAEGVKPZ-HSZRJFAPSA-N 479.540 5.575 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccsc3)n[nH]2)c1 1817527245 ZFBKOYWXVAHGET-VGSWGCGISA-N 461.591 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cncc3s2)n[nH]1 1817679759 OOZPZELTQYKFQA-GOSISDBHSA-N 486.041 5.971 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccoc3C(F)(F)F)n[nH]2)c1 1818213451 RCRARQMLKITVSZ-LIRRHRJNSA-N 485.466 5.268 30 20 JKED Cc1ccc2cc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)ccc2n1 1818405085 NRTOZOZDXSEVHR-ZHRRBRCNSA-N 495.608 5.166 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)ccc1F 1818453439 RJNASYLTUYVEGF-VWLOTQADSA-N 481.531 5.122 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CC2)[nH]n1 1819303713 ZSBDQLXIVCHJNM-IRLDBZIGSA-N 450.558 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(C(F)(F)F)coc1C)CC2 1819599722 KYCZFIHPWPXIMO-KGLIPLIRSA-N 467.513 5.058 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccncc1-c1ccccc1)CC2 1819601291 FSXVPYMDGQGORK-VQTJNVASSA-N 472.614 5.199 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c1Cl 1820220804 BLDKQWATGUEBHK-JOCHJYFZSA-N 473.964 5.432 30 20 JKED CC(C)(C#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)sc2C1 1821218506 SGQIUFXIDFSRHO-OAHLLOKOSA-N 489.626 5.128 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1)c1ccccc1 1821271080 PMPPRFRZCDOXJG-ZCYQVOJMSA-N 473.552 5.166 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1cccs1 1821279795 IQJMIXJBCVNESQ-KUHUBIRLSA-N 467.982 5.106 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCCCC(F)(F)F)cc2)n[nH]1 1821352298 SVDPISXRMLUZGX-NRFANRHFSA-N 490.526 5.240 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)[nH]n1 1821924417 BOVUYIQMPCNJKS-VBKZILBWSA-N 498.425 5.480 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)[nH]n1 1821988206 PTKPWNTXFKVRQV-DNVCBOLYSA-N 498.496 5.522 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1822580852 AWWKYXJIINOZIZ-QHCPKHFHSA-N 499.640 6.119 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823215571 VWXYPHWYVPQKPF-QMHKHESXSA-N 497.555 5.417 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c1 1823218007 XXZSBEQGNAIMGE-YCRPNKLZSA-N 479.943 5.449 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)c1 1823292933 WLIWHFFXDZUOJT-HSZRJFAPSA-N 489.551 5.136 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1cc(F)ccc1C(F)(F)F 1823299210 FDDSQLNYWZPATN-INIZCTEOSA-N 494.411 5.606 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)C1 1823701745 ORFGUGQERLULKN-DEOSSOPVSA-N 451.998 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1823750671 DPOJPTQKSWGTJJ-NNAHLOSHSA-N 454.577 5.331 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2ccc3ccc([N+](=O)[O-])cc32)CC1 1823751474 VONDBHNLLYPEPG-DEOSSOPVSA-N 494.636 5.162 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCC([C@H]4CCCCN4C(=O)C(C)(C)C#N)CC3)c2c1 1823886079 SAILRTJRRAJMQX-HSZRJFAPSA-N 493.648 5.423 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1824002710 DKIFETXMOUDHOO-OAQYLSRUSA-N 499.866 5.449 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1824037796 KWGWPHGDGOOJFU-QKDODKLFSA-N 473.592 5.043 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c1 1824052904 ZDPBSIBYJYZJQW-XMMPIXPASA-N 486.641 5.034 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1C 1824053738 DGXQJODCGYCREJ-MHZLTWQESA-N 487.644 5.050 30 20 JKED O=C(c1cc2ccccc2o1)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055508 NLRBDBZVIJWUBP-XMMPIXPASA-N 474.988 5.371 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)CC2)c1 1824649731 NVIJWNFJHZFVNF-VEXUSMLFSA-N 471.592 5.372 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1824960937 QDSKGAWZIHFPGZ-FQEVSTJZSA-N 487.012 5.094 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)CC1 1826371137 NWAGRWNSJIEQNQ-CLJLJLNGSA-N 452.639 5.016 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1826690405 WOMNGNVADQMQDK-HHHXNRCGSA-N 480.612 5.439 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321028 FZVSSJAULYXSPR-WJRZFDRGSA-N 498.048 5.500 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CCCCC2)CC1)c1ccc(O)cc1 1828412443 CBRYOXYNZMXGPA-AHWVRZQESA-N 482.640 5.181 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cnccc34)CC2)c(Cl)c1 1828655388 LKLAPRLDKZGIHE-SANMLTNESA-N 487.003 5.307 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1828890736 NVCXLAIXRIOIIC-SQJMNOBHSA-N 495.664 5.170 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nccnc3c2)CC1)c1ccccc1 1829032145 JTINQFOVNVOLHG-GGXMVOPNSA-N 494.639 5.060 30 20 JKED Cc1snc2sc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)cc12 1830013314 XGJDTFIKLZLKFG-OAQYLSRUSA-N 478.643 5.085 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)cc3)CC2)cc1C#N 1830025809 VGHVGACVAVNDFH-RUZDIDTESA-N 477.580 5.032 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCCC2)CC1 1830357923 IBWAVHUSQZAHIH-BJKOFHAPSA-N 489.701 5.046 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)ccc1F 1830358184 BPDBSTRDFSAEJF-PTHGBANUSA-N 498.602 5.054 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCC3)CC2)cc(C(F)(F)F)c1 1830755132 QXJAMZNKHKRIJN-QHCPKHFHSA-N 475.555 5.391 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1832029572 IGSQYOWOXGUBLY-RUZDIDTESA-N 481.040 5.157 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4[nH]ccc4s3)CC2)c1 1832632740 VCNUELRGYVLBHI-MBSDFSHPSA-N 474.630 5.404 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1 1832703029 ACWYFQIHGPDYKU-SANMLTNESA-N 473.617 5.201 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 8632682 OZNBINYLXXYTLX-UOYAAZCTSA-N 471.557 5.304 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Cl)c1)=C(/S)Nc1ccc(OC(F)F)cc1 10172742 QGHYRLNMYMTBBQ-UHFFFAOYSA-O 461.941 5.842 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)c1C#N 10711103 AZKNHSXQTODUTD-UHFFFAOYSA-N 459.527 5.140 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(CC)cc2)c1C 10827930 KRYUTKXNVIOLQL-UHFFFAOYSA-O 485.029 5.362 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(Cl)c(Cl)c1 11158366 HRYFPJOIEDETPW-UHFFFAOYSA-O 464.825 6.548 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC)c1 14710824 NASAFOOXUIRNIO-UHFFFAOYSA-N 454.979 5.536 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 15011720 HCMQJTOJQIMTGT-UHFFFAOYSA-N 462.905 5.252 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 15247994 GLPVEMFSQRGQNH-UHFFFAOYSA-O 456.827 6.355 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccoc1C 21924741 QCLQKRVBQQLVAZ-UHFFFAOYSA-N 460.559 5.342 30 20 JKED C=CCn1c(SCc2csc(NC(C)=O)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 24913581 LBJINISPIZDIPZ-UHFFFAOYSA-N 486.619 5.466 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(C(C)(C)C#N)cc4)c(=O)c23)cc1 25840135 GDOPOQHLIUWUEK-UHFFFAOYSA-N 456.571 5.263 30 20 JKED N#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 26131673 MUOMCVLADCBWKG-IBGZPJMESA-N 457.477 5.526 30 20 JKED C=CCn1c(SCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)nnc1-c1ccoc1C 32324873 INSRFIFQLSLBED-UHFFFAOYSA-N 465.600 5.466 30 20 JKED C=CCN(C(=O)Cn1cc(Br)ccc1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 71875047 DKSZBYFEYMEZDB-UHFFFAOYSA-N 499.217 5.260 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2c(C)noc2C)ccc1Cl 109378841 PJQLLPFPWKWOHT-UHFFFAOYSA-N 480.373 5.232 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1C 195676391 BKNPZADFKNHOEA-UHFFFAOYSA-N 486.572 5.181 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 247641484 HQJWEFSXEYOJNN-UHFFFAOYSA-N 457.534 5.125 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 302993855 SKJLTYPZHKZPMI-UHFFFAOYSA-N 492.402 5.423 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1Cl 409778955 YYEBBXWHOPWXHS-OAQYLSRUSA-N 459.912 5.642 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1Cl 409790263 ICQLJIUHNBGIDF-LJQANCHMSA-N 482.849 6.317 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc2c(c1)CCC(=O)N2 481655484 HJXVVIJBIYMRLS-INIZCTEOSA-N 458.493 5.044 30 20 JKED C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487386405 NFEUVUMMQNECGP-DJJJIMSYSA-N 484.503 5.471 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CSc2nc[nH]n2)cc1 490247499 RJISWFVBKKXOSW-UHFFFAOYSA-N 455.543 5.108 30 20 JKED CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)cc1 491055398 GTWMFGRBEBENNG-UHFFFAOYSA-N 498.633 5.764 30 20 JKED C=CCN(C(=O)c1oc2ccc(Cl)cc2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 498828673 CRVARPQYFBVRMZ-UHFFFAOYSA-N 487.002 5.754 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C)n(Cc2ccccn2)c1C 502344892 WLNNSXWEUASKEU-UHFFFAOYSA-N 456.359 5.278 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)CC2)c1 502670282 OZTSPSUMJXADOO-UHFFFAOYSA-N 465.985 5.085 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nc2sccc2c1=O 503248143 NVIXPUHJIDBYLN-AWEZNQCLSA-N 496.639 5.077 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1c(C)cc(Br)cc1C 511213847 BXGCHDQTPFKXFH-UHFFFAOYSA-N 472.364 5.234 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)cc2Cl)cc1 512609671 OTBNNQMOEDZWSL-UHFFFAOYSA-N 485.931 5.482 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C)c2ccc(C#N)cc2)c(OC)c1 512781992 AZAGGXJLVZMNQQ-SFHVURJKSA-N 453.542 5.534 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)nnc1-c1ccc(Cl)cc1 514701452 LPZYEMRRNFTXFK-NRFANRHFSA-N 499.036 5.258 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)cc1 518207448 KOHSJRPRGSGQQU-XMMPIXPASA-N 451.530 5.107 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1Cl 518653514 IGYQLVKBSRAJRW-NOZRDPDXSA-N 457.961 5.168 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 518922111 WPNLSAQPLAYFRJ-RUZDIDTESA-N 491.433 5.184 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCC(=O)Nc1ccccc1SCC#N 520470252 XEAQJUPKYRYHOA-UHFFFAOYSA-N 498.530 5.932 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 520937593 DOGHXAIYRJJLGK-KBPBESRZSA-N 476.396 5.497 30 20 JKED C=CCN(Cc1csc(Cc2ccc(Cl)cc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 520939396 URWYRYBVJBYLHG-QGZVFWFLSA-N 450.999 5.112 30 20 JKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 522569264 IXBOKPPNOQVASR-UHFFFAOYSA-N 457.530 5.163 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc(F)cc3Cl)s2)c(C(F)(F)F)c1 524297010 BFUHZWZOOHKNGV-UHFFFAOYSA-N 475.876 5.218 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccccc4Cl)n3C)c2C#N)C1 561198159 XTRGDKZWQXEXCH-CYBMUJFWSA-N 472.039 5.314 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)c2)cc1 603828676 QATLSKSVKUFQME-XMMPIXPASA-N 464.569 6.224 30 20 JKED COc1ccc([C@@H](NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2ccccc2)cc1 603829350 KCUCQZBUOSHBIO-QFIPXVFZSA-N 487.610 5.622 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(CN4CCOCC4)cc3)cc2Cl)cc1 604088435 VRJBMIHQWCDLKY-UHFFFAOYSA-N 476.964 5.158 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)cc1Cl 604130015 KHCKUVCNBBWTHC-HXUWFJFHSA-N 486.786 5.600 30 20 JKED CC(C)Oc1ccc(CCNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604138339 WDMBRFHSQSOTHM-DEOSSOPVSA-N 475.976 5.080 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)c2)cc1 604168292 BKQQTCVRVWYJLJ-UHFFFAOYSA-N 490.563 5.067 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NC(Cc3ccccc3)Cc3ccccc3)c2)c1 604507966 SNBWBQYGOKTCEJ-UHFFFAOYSA-N 489.575 5.046 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1c(F)cccc1F 609062525 TVZPURYQQQEYCE-JOCHJYFZSA-N 483.902 5.275 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3cccs3)cc2Cl)c1 609086265 AMVFAQQOLMDOHT-FQEVSTJZSA-N 465.962 5.154 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)cc1 609094585 WRLXWBLPSDFWHE-UHFFFAOYSA-N 476.583 5.044 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(CNC(=O)NC(C)C)cc1 609096583 QVGAFVLWAVLJAI-UHFFFAOYSA-N 458.537 5.060 30 20 JKED CCCCc1ccc2nc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)sc2c1 609142549 NXYBTGIAHQYDIU-UHFFFAOYSA-N 474.546 5.577 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)cc2)c1 609427038 KXWMUNNTSVCSDE-UHFFFAOYSA-N 459.461 5.403 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 609435561 XEVNBEWORQJPOF-NIYFSFCBSA-N 457.599 6.317 30 20 JKED C=CCn1c(SCc2nnnn2-c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1 614382148 CJENQGKVXYZBFK-UHFFFAOYSA-N 477.903 5.071 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(COc2ccc(Cl)cc2Cl)o1 622969020 AVSZLPBUQCKCNT-ZDUSSCGKSA-N 484.430 5.712 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(-n3cccn3)cc2)nnc1-c1ccc(Cl)cc1Cl 642558829 HEAXEGLFZDHIGB-UHFFFAOYSA-N 499.427 5.032 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1[C@H]1COc2ccccc2O1 644969234 LVXKCNIXMHYFGJ-WMLDXEAASA-N 480.619 5.034 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc3c(s2)CCCC3)cn1 726116689 JBDWBBUXIUOJFZ-JOCHJYFZSA-N 493.658 5.004 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 726241279 XHZWMUFJACRYLK-UHFFFAOYSA-N 470.548 5.126 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc2cc(C(F)(F)F)ccc2s1 726322835 OYRYOAHXPMQZOZ-AWEZNQCLSA-N 487.484 5.586 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 726392439 GSYVVCMZYZLASU-WAIKUNEKSA-N 497.567 5.503 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 726401293 SSUSADKSMCOLPW-BFUOFWGJSA-N 481.952 5.004 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1F 726409829 CXPKDKGHEYZYHU-IVZQSRNASA-N 496.539 5.090 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)s2)cc1F 726410590 HUVNJDFOLQVLIN-OAQYLSRUSA-N 483.590 5.365 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1)c1cccs1 726420766 MYGFNOMZXYFOTK-NPDXCZOBSA-N 457.552 5.070 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(F)c(F)c2)cc1 726570121 SNXOVEZXANLBPG-UHFFFAOYSA-O 468.549 5.056 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2c(C)[nH]c3ccccc23)C1=O 726886352 QNHDIQRGWKYWLF-FQEVSTJZSA-N 489.428 5.093 30 20 JKED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1sc2cccc(Cl)c2c1Cl 726996706 SAMPZDURTLZBPG-UHFFFAOYSA-N 471.325 5.061 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cnc(Cc2ccc(F)cc2)s1 727234213 ZJOBWWXWWXVSNL-MRXNPFEDSA-N 461.490 5.149 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)cc1 727936673 UWBICBQWYBVQBS-UHFFFAOYSA-N 459.399 5.861 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C3CC3)[nH]n2)c1 728604633 VNFZDIHRQREGLH-UHFFFAOYSA-N 491.400 5.228 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C(\C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc1 728696316 QOQHCMMBZWGIHB-CPEHUTGBSA-N 456.933 5.364 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)cc1 728779101 GYUNNWGSRXLTNI-OAQYLSRUSA-N 452.555 5.042 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(C3CCC3)C2=O)cc1OC 730462163 XDPKTVGNUAPZRT-XMMPIXPASA-N 489.597 5.370 30 20 JKED COc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c(F)c2)c(F)c1 730634087 MIQJTVBUTMSRPW-CYBMUJFWSA-N 482.508 5.246 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cocn1 730710517 NEWIBVLASFHWAT-QHCPKHFHSA-N 484.581 5.605 30 20 JKED C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3SCCC#N)ccc2Cl)C1 730981794 BNSMWMMPISEEEX-INIZCTEOSA-N 478.039 5.019 30 20 JKED N#CCCSc1ccccc1N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 730996115 NMDTXGHPXPHYHS-KNTRCKAVSA-N 459.958 5.986 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731064399 QIMPVIRGQDAPDV-MRXNPFEDSA-N 482.993 5.083 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cc(Cl)c3c(c2)OCCCO3)c1 744767049 XDPBEWBUEMFDRE-UHFFFAOYSA-N 472.998 5.275 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Br)cc3F)n2)cc1 745313896 ZMLROPZLHVHRRZ-KRWDZBQOSA-N 459.340 5.529 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)cc1 747603215 QMIMMWPLANOOGV-HXUWFJFHSA-N 486.569 5.144 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c1 799214723 NYOHHARRCFSEGY-IBGZPJMESA-N 463.525 5.443 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 837382859 HARDDDZZPATZTD-VGSWGCGISA-N 462.550 5.251 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c(OC)c1 837771007 PFKIVDSKXCFOIL-OAQYLSRUSA-N 499.589 5.065 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)cc1 837875208 GRIACGYYSJSGMO-HYBUGGRVSA-N 472.614 5.728 30 20 JKED CC(C)N1CC[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 849498330 JSCWFIRREQDZPN-SDHOMARFSA-N 476.024 5.182 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@@H]2C[C@H]3CC[C@H]2C3)[n+]2ccc(Cc3ccccc3)cc2)C=C1 912842578 ALHUOFVUJNNHKJ-SCTDOJESSA-O 498.672 5.325 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)c(Cl)c1 914539534 DUUBJGBXMXGYME-ORAYPTAESA-N 480.417 5.208 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Oc2ccccc2-c2nc3ccccc3s2)CC1 915136107 QVYGFCOELKAITO-UHFFFAOYSA-N 496.548 5.905 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 915180281 NGSRBZNAYNKLRG-AWEZNQCLSA-N 451.140 6.603 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915354272 YYEBXAQANHKPJU-QHCPKHFHSA-N 485.975 6.490 30 20 JKED CCO[C@H](C)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 915505863 TUNPJABHBLZGRX-XAVKZTDYSA-N 468.575 5.206 30 20 JKED C=CCn1c(SCC[S@@](=O)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 915652880 XGKVDXRKWPTEQW-GDLZYMKVSA-N 458.655 5.272 30 20 JKED C=CCN(C(=O)c1nc(-c2cccs2)oc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 915814504 UXMNPADWZCZENQ-UHFFFAOYSA-N 452.517 5.576 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 916073536 AESFAKUBNYFJEM-UHFFFAOYSA-N 478.339 5.858 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O 916210859 JUTKOUNXSFJPSL-HSZRJFAPSA-N 474.586 5.031 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CC(C)C)C1=O 916214190 KJCFTMSDOYAUJN-LJQANCHMSA-N 493.601 5.626 30 20 JKED FC(F)(F)c1cnc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(Cl)c1 916286736 SARWYWLCZDVKHI-UHFFFAOYSA-N 467.904 5.160 30 20 JKED CC(=O)C1=C(c2ccc(Br)cc2)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1csnn1 916726486 VNRBECDAZTUYBK-LJQANCHMSA-N 487.354 5.019 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 916904191 YDNLFQRYVNVEOH-HSZRJFAPSA-N 480.568 5.088 30 20 JKED N#C[C@@H](C(=O)CCSc1ccccc1Br)C(=O)Nc1cccc2ccccc12 916918836 SKQMRANGEVISPR-KRWDZBQOSA-N 453.361 5.432 30 20 JKED CSc1cccc(N2C[C@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c1 917042838 HQXYFWLGXLKOTG-WBMJQRKESA-N 475.517 5.266 30 20 JKED N#C[C@@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 917045853 BIQXTPDKCVBUOR-PZJWPPBQSA-N 459.958 5.167 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)cs1 917559246 GOYBXJPDLPVJMZ-XNTDXEJSSA-N 463.578 6.243 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H]1CCN2CCC[C@H]2C1 917658512 IYBVZYOLEJLPQE-YTFSRNRJSA-N 494.636 5.030 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C#N)cc1 917658561 LOXHKXRQXOJPMT-HSZRJFAPSA-N 486.572 5.475 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920141792 RDICCXNEJGUHLZ-NRFANRHFSA-N 469.595 5.453 30 20 JKED CC(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3c(c2)CCC3)CC1 920176981 WXWOVOOINHOYIG-RUZDIDTESA-N 490.673 5.008 30 20 JKED N#CCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 920631947 CIICTOXFVMVSHD-UHFFFAOYSA-N 452.919 5.189 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnc1-c1ccccc1C 920805156 AHCBFZVFSRVYGJ-MRXNPFEDSA-N 495.580 5.644 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc(-c2c(F)cccc2F)cs1 920806240 IYALLPOCZFVHHN-LBPRGKRZSA-N 456.499 5.399 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 920870023 RDTXRPRLQOVUIQ-MBSDFSHPSA-N 461.587 5.083 30 20 JKED C[C@H](OC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 921182628 MILQWTWAAUJTTO-AWEZNQCLSA-N 483.402 5.336 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CCO2)C1 1778890926 SYKZBXUFJGRUNC-GEBXHLAXSA-N 494.582 5.097 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)C3)C2)cc1 1785081983 MXWKHTGMYGUNHB-SLGOVJDISA-N 493.607 5.046 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(Br)ccc3F)cc2)CCC1 1785959258 LNSRGGPKCVPEGO-MZJWZYIUSA-N 498.352 5.048 30 20 JKED CC(C)[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H](S)C(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1786395843 KXRKPBFCTVOQKE-UNMCSNQZSA-N 491.698 5.014 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCc4ccncc4)cc3)CCC2)c(Cl)c1 1786908261 IDGODUOJZIFSHF-UHFFFAOYSA-N 472.976 5.377 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4occc4n3-c3ccccc3)CCC2)cc1 1787886570 IGMPLLBAYKRKGA-UHFFFAOYSA-N 452.514 5.275 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)o4)cc3)CCC2)c1Cl 1788881384 GUTVXGIWRTZKON-UHFFFAOYSA-N 454.313 5.520 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc5cc[nH]c5c4)cc3)CCC2)c1 1788913940 SZJSILUOYYUVHV-UHFFFAOYSA-N 452.489 5.240 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)cc2)CCC1 1789229203 CCWRRZUDZVTPFE-UHFFFAOYSA-N 467.516 5.177 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)nn4C)cc3)CCC2)c1 1789825960 YUXOJCPKEIHHSS-INIZCTEOSA-N 495.505 5.127 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4Cl)CCC3)cc2)c1 1790258393 NSZDOLLRQINWRP-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4c[nH]c5ccccc45)CCC3)cc2)cc1 1790707980 ZAWQYRGOQWBJQJ-UHFFFAOYSA-N 462.553 5.224 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)c(C#N)c1 1790859323 CMXJCFBVZIYQQL-UHFFFAOYSA-N 490.563 5.105 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)CCC2)cc1 1791251877 WQBDVFSIXXEQFW-RLLPEYFOSA-N 481.637 5.121 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CSc3ccc(F)cc3F)CCC2)cc1 1791296392 UKYSDTXIJJSZBL-UHFFFAOYSA-N 466.500 5.402 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CC3(F)F)CCC2)cc1)c1ccc(O)cc1 1791645786 PRNRRTFHXLVVME-UQBPGWFLSA-N 466.528 5.069 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(F)F)cn4)CCC3)cc2)c1 1792122268 ILCQJLQVHMAQND-KRWDZBQOSA-N 490.510 5.372 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccccc1C(F)(F)F)C2)c1ccccc1 1798555544 XULNIFMYDJBEDT-KIHHCIJBSA-N 482.546 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cc(Br)ccc1F)C2 1798590791 LYDTYPWHPXADLM-ACDBMABISA-N 479.434 5.151 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2)cc1Cl 1799668887 YWBSEVJGLCDVCX-ACDBMABISA-N 486.399 5.218 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2cc(Br)cnc12 1801116419 XACGHPPOZJXJLF-WOZUAGRISA-N 482.422 5.018 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(Cl)cc2Cl)c1 1801555559 PPFRMDAIGJMFFO-YWQVJIEVSA-N 484.427 5.505 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1801697711 COUAJZBJKZDFKU-WKCHPHFGSA-N 463.528 5.070 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1803088204 IKPXKVCPYIWXDT-ZCYQVOJMSA-N 486.641 5.293 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)cc(Cl)cc2Cl)C3)c1 1803684063 GOLKAMZGJWAPOW-YFYLHZKVSA-N 474.363 5.325 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C3)cc1C#N 1803845632 PGWRFOGANHDZES-COFYWFGJSA-N 465.638 5.060 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCCCC3(F)F)C2)CC1)c1ccccc1 1806204676 NKZNHOKIUYBNHN-ZEQRLZLVSA-N 470.604 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1809787651 NMPWVMUGMRTTAT-DNRQZRRGSA-N 463.647 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810534810 FLFOQZMITVTBIA-NOZRDPDXSA-N 479.690 5.489 30 20 JKED C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3cc(Br)c4ccccc4c3)C2)CC1 1810762006 XRXIYIQQXOYQNK-UHFFFAOYSA-N 481.434 5.251 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1811228626 FGBAMWXLQJMDEZ-DMDYGQEQSA-N 475.633 5.347 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811439148 OKXQDPXDWXOQSV-IWVFXYMLSA-N 497.614 5.976 30 20 JKED CCCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1812029556 KOACZNYBYYAZLB-BVAGGSTKSA-N 487.003 5.193 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1812756254 ZSKXFVPYHIOHEW-PAUTXSKSSA-N 489.736 5.251 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1813825625 GDVGBWAKYULVIA-REWPJTCUSA-N 454.014 5.355 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)oc2ccccc12 1813866382 QHMJLEBRDXVUIZ-MQMJORGGSA-N 492.579 5.397 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(NC(C)=O)ccc2Cl)[C@H]1c1cccnc1 1813997371 UVPYFDPYRQQCPA-GBXCKJPGSA-N 497.039 5.005 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)[nH]n1 1814440091 JMTSQOOHZRQWMT-OAQYLSRUSA-N 482.625 5.044 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1815245756 AQNBZEHQKGSGDB-CVDCTZTESA-N 494.702 5.039 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)C)on2)n[nH]1)c1ccccc1 1816597909 SSURTDKBWDNUHM-NFBKMPQASA-N 473.577 5.024 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)c1 1817497695 GWAKILWPNDPACM-OTTIEBEZSA-N 459.575 5.118 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3s2)n[nH]1 1819075866 YUCYJNYSCHJXPU-IAQYHMDHSA-N 493.452 5.011 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)[nH]n1 1819305564 VVDFRNXXWIOYTL-WIYYLYMNSA-N 474.527 5.432 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSc2ccccc2)[nH]n1 1819385350 NPUDOBRWOZARKV-QFIPXVFZSA-N 482.726 5.245 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1)c1ccc(Cl)cc1 1819475783 ZDQVTKADSFFHMO-ABDBYYMNSA-N 496.011 5.207 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)[nH]n1 1819556017 OTTAVDVIJQGSCQ-IBGZPJMESA-N 483.016 5.318 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093297 DPNVXYBQGXXKCV-FQEVSTJZSA-N 491.642 5.398 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(C)noc1-c1ccccc1)CC2 1820098308 SDNDEPZSHOPGHK-SFHVURJKSA-N 478.618 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820219961 ANQSMDCSNTYNPQ-LJQANCHMSA-N 453.974 5.233 30 20 JKED CCOc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1820650804 DERGWKLVYBAYAM-UUOWRZLLSA-N 471.561 5.055 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)[nH]n1)c1ccc(O)cc1 1822468614 CCPXWDOOLXXQDC-YUHKXCSQSA-N 496.611 5.108 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)ccc(F)c1F 1823200246 HJDAOJBOBMRRIO-NYHFZMIOSA-N 477.515 5.243 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(Br)c2)n[nH]1 1823315502 OOUKZWQUZWTTQO-FZKQIMNGSA-N 479.806 5.344 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1)NC(=O)OC(C)(C)C 1823347792 GEVUELRECHCFDH-JAXLGGSGSA-N 499.656 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1824142289 MJEUOISWBGJVQC-MHZLTWQESA-N 475.633 5.251 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1824540905 QFUNGRJMORNJHY-ATIYNZHBSA-N 493.673 5.411 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)CC2)c1 1824826026 YUEUVUXRSULSDV-GKLYVUGTSA-N 491.582 5.539 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1824951504 LLVRLLGYKILNLT-DEOSSOPVSA-N 494.035 5.141 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c1 1825036171 OZOVGTQDFJCVGF-QFIPXVFZSA-N 470.038 5.058 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1)c1ccccc1 1826316391 DYLPNVCGBKQBRX-JYFHCDHNSA-N 461.581 5.124 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC(F)(F)F)CC2)cc(C(F)(F)F)c1 1826671195 IPWDUWHKGSQATM-IBGZPJMESA-N 489.460 5.153 30 20 JKED CC1=C(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CCO1 1827284491 YEFUJUQTVMTDPF-LJAQVGFWSA-N 482.624 5.014 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2Cl)CC1)c1cccs1 1827680440 ZFINJTBRMZSGSS-NELJVSICSA-N 485.049 5.003 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1828772334 BTYQSWAJMHQCRW-HYBUGGRVSA-N 495.714 5.353 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829685699 NUGGMEPBWQFCCG-KBMIEXCESA-N 494.035 5.257 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1830017333 XFPGDGVLESHMEV-RUZDIDTESA-N 494.035 5.546 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1830417594 DZVWFAHQNBMLPU-GBXCKJPGSA-N 488.072 5.182 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830449953 SQVPLQWSPCXVMV-AHKZPQOWSA-N 466.572 5.694 30 20 JKED CC(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830632551 QLDPBRWGWDQFBQ-HHHXNRCGSA-N 457.618 5.423 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830717020 OOYXKWRQQXXCQT-DEOSSOPVSA-N 497.998 5.297 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1830724068 RMAPBIHNTQZURV-XZOYJPPVSA-N 456.030 5.271 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1830767960 GHSLPNPIDFDCKO-SANMLTNESA-N 485.628 5.127 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831298081 ZPMVNJIGEDHNLV-AVRDEDQJSA-N 450.545 5.080 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1831924089 CJYSYMIANNBBEC-FULLSBAXSA-N 476.661 5.255 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c1Cl 1832564250 MMPDILOPQDAENG-NRFANRHFSA-N 473.404 5.049 30 20 JKED COc1ccc(F)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832604629 RBNKPCKGLPSUKW-DFBJGRDBSA-N 477.580 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1832632969 ARSLNPHTZRWFRY-CRICUBBOSA-N 499.989 5.792 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c1 1832633171 DLYKERZDRJIYIO-JTSKRJEESA-N 470.038 5.576 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)C1 1843195979 BDBRWJJSUOJIGX-UHFFFAOYSA-N 483.534 5.353 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)cc2Cl)C1 1845488569 BBLJJMYLENMOEH-UHFFFAOYSA-N 487.987 5.039 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC4(CCCN4C(=O)c4cc(C)cc(C#N)c4)C3)ccc21 1845523037 SMGNGOBBSPGYKI-UHFFFAOYSA-N 476.580 5.125 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC(=O)Nc2ccc(CC#N)cc2)cc1 10604094 XVGJNWHSUAQFAG-UHFFFAOYSA-N 467.525 5.024 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C 10779987 NTRWAJNKFUHITP-GOSISDBHSA-N 463.559 5.135 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(C)o2)nnc1-c1ccc(Cl)cc1Cl 11149451 DBYOLBFHRIVHST-UHFFFAOYSA-N 451.379 5.090 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(Cc2ccccc2)cc1 11153338 BJKNHZXBQLVEJE-UHFFFAOYSA-O 487.595 6.511 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(F)cc2F)cc1 11247571 YFZPNFLULMBEBQ-UHFFFAOYSA-O 456.538 5.013 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc3c(c2)CCCC3)cc1 15247748 KJOIYISIDMBLDA-UHFFFAOYSA-O 496.450 5.675 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 16787367 SUMZMIZIPDSPQY-HNNXBMFYSA-N 469.950 5.293 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 22187233 FHJVWKPENRBCQD-LBPRGKRZSA-N 482.368 5.003 30 20 JKED C=CCn1c(SCC(=O)c2ccc(OC)c(Br)c2)nnc1-c1ccc(F)cc1 24176887 VCZIPKXVEFHKCI-UHFFFAOYSA-N 462.344 5.016 30 20 JKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)Cc2cccc(C#N)c2)c1OC 25105500 XEMPPPROXZJVIC-OQKWZONESA-N 489.575 5.883 30 20 JKED CCCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc(Cl)ccc2c1=O 26010272 JKDSIVBCBXZHRA-GOSISDBHSA-N 495.029 5.552 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1C(=O)c1ccc(F)cc1 33197199 KTXNUSJSHPBSOJ-ZIAGYGMSSA-N 461.377 5.696 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OCCCC#N)c2)c(OC)c1 68731171 GAYHZWASWNEKOD-UHFFFAOYSA-N 482.540 5.491 30 20 JKED Cc1cc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c3cnn(C(C)C)c3n2)c(C)o1 107834773 YVFUVJCTIWIOGY-UHFFFAOYSA-N 495.505 5.965 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 303165055 PWWPBXGVSPFCQG-UHFFFAOYSA-N 476.561 6.470 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)Nc4ccccc4S[C@H](C)CC#N)c3)cn2c1 303327775 IZRCKVBIBDXVDO-LJQANCHMSA-N 456.571 5.868 30 20 JKED CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482367195 QUGSDCARRRSBPU-UHFFFAOYSA-N 467.447 5.470 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1Cl 484221916 QBZJZELYPBFLNT-GGAORHGYSA-N 487.943 5.026 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)c2)cc1 486588895 WZUPKBIXOSMKQY-OAQYLSRUSA-N 468.488 5.559 30 20 JKED Cc1ccc(-c2nc(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cs2)o1 487385814 MEMXOEMOYOUDNL-UHFFFAOYSA-N 488.516 5.831 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H](c2ccccc2Cl)C(C)C)cc1 502321982 XRNSSSLMYNNCBO-NRFANRHFSA-N 450.004 5.008 30 20 JKED C=CCn1c(SCC(=O)NCCc2c(F)cccc2F)nnc1-c1ccc(Cl)cc1Cl 502764726 BGXZGWQCHOOTNZ-UHFFFAOYSA-N 483.371 5.167 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 503507224 ABHZLWQVBFICQK-UHFFFAOYSA-N 467.598 5.503 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc(C)nc21 508980723 QHBIBAAKSZAHHJ-IBGZPJMESA-N 453.546 5.608 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 509722741 UJBOVCOQVUWNSS-CQSZACIVSA-N 450.391 5.346 30 20 JKED O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 509765197 IKIQXZSYTCVDQN-UHFFFAOYSA-N 483.347 5.487 30 20 JKED C=CCn1c(SCC(=O)N(C2CC2)[C@H](C)c2ccco2)nnc1-c1ccc(Cl)cc1Cl 509846524 OQRTUMHEGOHAMC-CQSZACIVSA-N 477.417 5.875 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 510228120 KTTIAATUOGAFNN-FQEVSTJZSA-N 487.625 5.762 30 20 JKED CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 510237263 CUYDOMNZMDMFHA-KRWDZBQOSA-N 494.016 5.719 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)sc2n1 510244574 UKKWIGNJTXCRHY-UHFFFAOYSA-N 474.542 5.379 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c2nccn2C)cc1 510520131 XJUYNHMZELTCPT-VWLOTQADSA-N 467.529 5.312 30 20 JKED O=C(Nc1nc(C(F)(F)F)cs1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 512382890 PLZJRICRVJRFGF-UHFFFAOYSA-N 474.308 5.638 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513191101 DMWVFPIWPAGZMO-LJQANCHMSA-N 462.431 5.452 30 20 JKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 513681573 FIDBHXXYTIYWDU-MRXNPFEDSA-N 498.593 5.075 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 514607539 GNVDKAOCLORLPC-UHFFFAOYSA-N 453.936 5.116 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 515264100 LPLVDEQQTUEXTK-UHFFFAOYSA-N 470.426 5.632 30 20 JKED COc1ccc(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1OC 515701112 MIRDDJPNZUWIRK-NRFANRHFSA-N 464.949 5.593 30 20 JKED CC(C)CCSc1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] 519138487 IEHGIVZLEAFZBJ-UHFFFAOYSA-N 453.564 5.288 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2Br)cc1 521209829 NIBQCOGJFMKDOZ-UHFFFAOYSA-N 450.336 5.416 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc1 521269800 GRKPXQDCZGAROY-UHFFFAOYSA-N 481.531 5.514 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1Cl 521734117 NJOAQSHRQYOAMG-CQSZACIVSA-N 455.432 6.138 30 20 JKED CC(=O)N1CCc2c(sc3nc(-c4c(C)[nH]c5ccccc45)c(C#N)c(-c4ccc(C)cc4)c23)C1 544405103 PWHCAAANKPMRIV-UHFFFAOYSA-N 476.605 6.505 30 20 JKED C=CCN(C(=O)Cc1nnc(-c2ccccc2)n1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 551761266 PDTHMXFLJHKDRT-UHFFFAOYSA-N 491.620 6.034 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)sc2c1CCC2 589943918 RXJORTRSNOZKDQ-UHFFFAOYSA-N 499.065 5.064 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)o2)cc1 590388703 OBAMRWKJYHTIKE-QGZVFWFLSA-N 467.428 5.849 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(-c3ccccc3)nc21 591862327 PPKQCIIZKCGBHM-SFHVURJKSA-N 499.546 6.571 30 20 JKED N#CCCN(C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cccc(Cl)c1 594639468 RRMVFQYJEYGXHT-UHFFFAOYSA-N 474.295 5.094 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ncc(Cc4ccc(C(F)(F)F)cc4)s3)CC2)cc1 603649148 LRRZTDDMKUJONQ-UHFFFAOYSA-N 499.562 5.364 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1Cl 603766756 WRUNWZJEEDDEOY-UNMCSNQZSA-N 463.990 5.690 30 20 JKED CSc1ccc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 603838906 SJCFOZJZFMQYMY-CQSZACIVSA-N 464.355 6.237 30 20 JKED N#Cc1cccc(COc2cccc(NCc3nc(-c4cc(Br)cs4)no3)c2)c1 604122203 CIWZLFHMIIMXJZ-UHFFFAOYSA-N 467.348 5.623 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4occc4COc4cccc(C#N)c4)CC3)c2c1 608811561 FTOQXKXYDOSBAY-UHFFFAOYSA-N 453.498 5.150 30 20 JKED COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3S[C@@H](C)CC#N)co2)cc1 609389022 UAJHKOWCCWMFGC-INIZCTEOSA-N 453.589 5.616 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C(C)C)cc1 609400320 YHWTTXCDAILUJK-YADARESESA-N 451.636 5.589 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccccc1F 613387488 IQEUHUQNRUVXEO-HNNXBMFYSA-N 495.605 5.522 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2cc(C(F)(F)F)ccc2s1 613404427 QTUCQJQKIOEDGI-LBPRGKRZSA-N 469.469 6.675 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301239 MCEFJIOVMYEQHC-RYUDHWBXSA-N 470.410 5.373 30 20 JKED O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642447606 BNZHIVWRZJMVSF-GHMZBOCLSA-N 487.416 6.043 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccccc1OC 643093932 GENYLPPJKBCXRT-OAHLLOKOSA-N 451.527 5.491 30 20 JKED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1ccccc1 726109740 PPHIEISHBABHIS-PSGGEGSESA-N 484.625 5.104 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 726321356 HNUFZORQMVARHH-INIZCTEOSA-N 483.286 5.605 30 20 JKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1-c1ccc(Br)cc1 726322281 UCZBMZCRUJANTR-HNNXBMFYSA-N 491.172 5.723 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(F)c(Cl)c1 726402679 XBBZKYBPSXUROO-FOIQADDNSA-N 477.989 5.173 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1F 726411500 MRGGYQDNTBGXGX-QRQCRPRQSA-N 496.539 5.090 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H]1CCc2c(Cl)cccc21)c1cccs1 726415727 KSTHRSNDGUQVMP-JIQZMLLFSA-N 474.051 5.119 30 20 JKED COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 727370309 MZAWFQLWSMRLOG-HNNXBMFYSA-N 478.346 5.073 30 20 JKED C[C@H](OC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1cccc(C#N)c1 727640213 XLDDNKLNYUXKHW-AWEZNQCLSA-N 458.898 5.070 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1CC(F)(F)F 728424006 RJGFXCIQBFKNGT-QGZVFWFLSA-N 480.899 5.043 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 728961463 YUUDLHWPPIZTLO-UHFFFAOYSA-N 452.533 5.083 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)cc1C 729631085 IYDIEUYKWCWUFU-HSZRJFAPSA-N 458.587 5.167 30 20 JKED CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1 729820462 RWVPOJBIEWNUST-PKNBQFBNSA-N 472.906 5.308 30 20 JKED C=CCN(C(=O)c1sccc1SC(F)F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 730469973 VBOKERSMGHXGDS-UHFFFAOYSA-N 486.612 5.423 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](C)Sc2ccccc2S(=O)(=O)CCC)c1 730492530 AECYPNQHBFTCSC-LJQANCHMSA-N 483.680 5.627 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc3cc(Cl)ccc3s1)O[C@@H](C)C2 730689721 KIVFLYFCBUDLLE-OYYDLILQSA-N 452.963 5.652 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1[C@@H]1CCc2c(Cl)cccc21 730708249 CFBNUAZVJCNWJX-NHCUHLMSSA-N 492.004 5.086 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H](O)c3cccc(C(F)(F)F)c3)c2)cc1 730897417 JFPCPQXYLVDXOX-QHCPKHFHSA-N 469.463 5.206 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCc2cccc(F)c2)C1=O)Nc1cccc(O)c1 731312601 NFHXYBVVBXKSAV-JOCHJYFZSA-N 499.514 5.013 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccc(F)c2)c1 731313255 VISJLIHIZMWMED-JOCHJYFZSA-N 481.524 5.139 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccc(C(=O)O)cc1 746697911 PRIOPWHTCOTVCL-QHCPKHFHSA-N 498.564 5.027 30 20 JKED C=CCc1cc([C@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2C)cc(OC)c1O 747141145 WDUKNOLZRGVSOP-AREMUKBSSA-N 499.636 5.786 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1cccc(C#N)c1 747253858 BXPOYZJVLIMSCC-GFCCVEGCSA-N 460.342 5.101 30 20 JKED COc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1OCCCC#N 747361607 QXUBLHHYFWFVHV-UHFFFAOYSA-N 491.494 5.317 30 20 JKED COc1ccc(C(=O)Nc2nc(CC(C)=NNc3ccnc4cc(Cl)ccc34)ns2)cc1OC 751373155 DXGLRRMTSBRLIG-UHFFFAOYSA-N 496.980 5.040 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 825477085 KAKCCTASMAXKQK-UHFFFAOYSA-N 487.356 5.385 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCN(C(C)C)CC1 837284083 DRXFIUBPVHDZPC-HSZRJFAPSA-N 496.652 5.276 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 838088982 IEVBWICKXHEEMY-JPYJTQIMSA-N 474.586 5.202 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCN(C(C)C)CC1 838191773 HNPPUMVVLVECRX-DEOSSOPVSA-N 496.652 5.221 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)C1CCN(C(=O)C(C)C)CC1 892300258 FOEIOYWAECCMIA-HSZRJFAPSA-N 494.617 5.102 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@@H]2C[C@H]3CC[C@H]2C3)[n+]2ccc3c(c2)CCCC3)C=C1 912842417 CVYBWWOMGFETJT-KIVTUJJHSA-O 490.693 5.249 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 914694249 FXJJYFFKOIHWIU-VFNWGFHPSA-N 469.513 5.149 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694394 JAFHJBXQNQQKPA-JTSKRJEESA-N 465.550 5.319 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1nc(-c2ccccc2)cs1 915101668 FEXJVGCDTBULIO-FQEVSTJZSA-N 483.515 5.558 30 20 JKED N#C[C@H](C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1nc(-c2ccc(Cl)cc2)cs1 915102492 ZXURGDQSNIHMRB-QGZVFWFLSA-N 495.029 5.380 30 20 JKED CC(=O)N1CCc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc21 915102865 JQFSFWPIWVZNGJ-QGZVFWFLSA-N 456.354 5.516 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)cc1 915352378 KTKHQXHGRVHWPS-DNQXCXABSA-N 455.949 5.640 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1 916206163 XDSXDBCSJQUMJU-SFHVURJKSA-N 460.397 5.210 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1Br 916209670 QANFJXLDLJJHES-LJQANCHMSA-N 490.398 5.491 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(C[C@H]3CCCO3)C2=O)c1 916217147 GLIIPNNQZKPFAG-BWKNWUBXSA-N 487.625 5.596 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2ccccn2)cc1C 916217155 GPZZOJNIAPHDIY-HSZRJFAPSA-N 476.577 5.041 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cccc2ccccc12 916217567 PZGSNMHHEOLOHF-QHCPKHFHSA-N 477.586 5.227 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 917504412 CFGUYVUEUPKGAM-SJORKVTESA-N 454.592 5.226 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2C)n1 917666005 NLIWNKLNVVDVHP-JOCHJYFZSA-N 479.005 5.512 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)c1 917678532 WKDWSZOFVJPRCO-QHCPKHFHSA-N 495.551 5.272 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3)C(=O)N2CC(F)(F)F)c1 917708195 GLKWRWXQAYWNRQ-SFHVURJKSA-N 493.507 5.031 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1 920050122 XZLGAILOYFOGBP-DFBJGRDBSA-N 489.417 5.753 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)cs1 920367717 OLVHXRSNWOKVPZ-CKFHNAJUSA-N 497.612 5.469 30 20 JKED Cc1nc(SCC(=O)OCc2coc(-c3ccc(Br)cc3)n2)c(C#N)c(C)c1C 920515227 ZXCRKHYSTHYYRI-UHFFFAOYSA-N 472.364 5.132 30 20 JKED Cc1ccc(C(=O)N[C@@H](C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)C(C)C)cc1 920806777 POYDDICLEPNJBA-IIBYNOLFSA-N 453.514 5.028 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 1780987266 SILBNCXEKGHLEO-PDDLMNHVSA-N 491.676 5.214 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](c2ccc(F)cc2)C(C)C)C1 1782089559 RDFRVKQVETUBOW-FMGHJNRGSA-N 472.645 5.072 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3oc3ccccc34)C2)C1 1782588734 NGHIQRZLVSQCKR-MUUNZHRXSA-N 460.574 5.022 30 20 JKED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3ccc(CCCC)cc3)cc1)C2 1783169009 JLCABYXJWNZEMW-GRKNLSHJSA-N 486.656 5.237 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cccc(C)n3)cc2)CCC1)c1ccc(O)cc1 1787327710 DVNLWDKLFQSHGS-JOCHJYFZSA-N 467.569 5.041 30 20 JKED CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)NCCC#N)CCC2)cc1)c1ccccc1 1787716034 MYENBIJMMXULEA-PXDATVDWSA-N 474.649 5.232 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)CCC2)cc1 1787889415 IPGVCTJOILSGKH-UHFFFAOYSA-N 455.480 5.175 30 20 JKED CCn1nc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)c2ccccc21 1788368547 SFHFCZGXMJRKHF-UHFFFAOYSA-N 495.558 5.057 30 20 JKED CC(C)c1nc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)co1 1788649574 SULTXHRMRKGVKL-ZHACJKMWSA-N 463.559 5.046 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3occc3C)cc2)CCC1 1788692730 VICSYRGLIOXQCP-OAQYLSRUSA-N 481.593 5.195 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4ccccc34)cc2)CCC1 1788988769 LRSAFPQZDDCOII-KRWDZBQOSA-N 463.965 5.227 30 20 JKED COc1c(Cl)ccnc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508247 ZJIRJPPYBFHUPF-UHFFFAOYSA-N 498.099 5.542 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3)CCC2)cc1 1789576424 WCONOMKIMDUATC-WKULSOCRSA-N 469.463 5.165 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)cc1 1790521762 ZFKYOMYGQZCIKO-UIOOFZCWSA-N 497.570 5.186 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1)C(F)(F)F 1791304855 OFDCNVQNCIDDSF-UHFFFAOYSA-N 497.473 5.398 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccco3)cc2)CCC1 1791802159 GCDLMUFRILWZFC-UGKGYDQZSA-N 495.620 5.582 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3ccc(Cl)cc3[nH]2)c1 1792470909 LLPSAWRVNLBQMC-ZHHJKBAOSA-N 460.965 5.014 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC#C[Si](C)(C)C 1798417314 SVEUCNMADVBRGV-WKCHPHFGSA-N 456.703 5.188 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3cccc(Cl)c31)C2 1798422638 FDAJUYQRNBJCGW-LRSLUSHPSA-N 471.117 5.059 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2c1oc1ccccc12 1801201587 OMUVDKYBHZRPTO-JGAQQDJLSA-N 484.577 5.338 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cc(Cl)ccc2Cl)c1 1801471911 QLIYSTWBQNERFS-KOUNCHBCSA-N 470.400 5.058 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1802494690 GODXRTSGMAFZER-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1802501591 ZXDFJSVCMFKZCV-GCJKJVERSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1802502373 IGGJGYAPJAQXDQ-KIZDAVOYSA-N 484.644 5.583 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1802742045 JTUALHVCADHWJL-NVQXNPDNSA-N 496.127 5.414 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1803079889 QJGSTZKUFUKUAU-WNJJXGMVSA-N 482.628 5.037 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1803091088 MMJBDSOIERDPKO-ZJSXRUAMSA-N 451.998 5.131 30 20 JKED Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)c1Cl 1803622939 PUAMDECKLOFMBT-REPLKXPHSA-N 475.898 5.105 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(C)(C)C)cc2)C3)c1 1803684889 RDLHXZCSWKCFDN-LZQXYRQZSA-N 459.590 5.057 30 20 JKED CCCCCc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)s1 1803685263 ZQVUYSXHFREDKS-HLRQEUIKSA-N 464.635 5.068 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1F)c1cccc(C(F)(F)F)c1 1803850523 BMSSZKWJOLXAHZ-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C=CC[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](CCC)CC1)C2)NC(=O)OC(C)(C)C 1804013385 JDIJHSMXUNRKDQ-BRPVHVPTSA-N 489.701 5.091 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC[C@@H]2CNc3ccccc3C2)[C@@H]1c1cccnc1 1807212111 KGYPBERQTLVZKF-DLNIMUOOSA-N 488.676 5.144 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1808146528 UKHPRLUBVJJJJF-UKILVPOCSA-N 489.660 5.497 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1809783618 YJEJCVGVCJMTRR-BWKNWUBXSA-N 463.647 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1810505422 UGNHDAUHGHXWGG-IRLDBZIGSA-N 473.539 5.412 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1)C(F)(F)F 1811540078 ZTNCPAJKAONMOD-RCZVLFRGSA-N 493.529 5.495 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)s1 1811722311 LXAVTGKEPUTGBA-YADARESESA-N 490.604 5.085 30 20 JKED N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CCC3CCCC3)[C@@H]2c2cccnc2)cc(C(F)(F)F)c1 1811867833 BXTLDQZHQCUBCL-SQJMNOBHSA-N 498.549 5.262 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1 1811890150 UUKULLZATBAGFH-HYBUGGRVSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1812369282 FZVORUYAMXLWGK-RDGATRHJSA-N 480.678 5.359 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1813049786 BJXSVYPJXUFXBC-HOFKKMOUSA-N 492.063 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813956684 RRFYGSVWQHVIBJ-NLDZOOGBSA-N 479.624 5.837 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)[nH]n2)C1 1814396528 JSWBTZXNGFFDEX-WMZHIEFXSA-N 492.023 5.623 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)[nH]n1 1814444098 UAQBJCNJAQIVAX-AZUAARDMSA-N 489.661 5.088 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[nH]n1 1814571281 WMLGBAFTOKKXKD-LADGPHEKSA-N 491.542 5.463 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)cc1Cl 1814590803 VUPNNFCQTRZJLV-NRFANRHFSA-N 465.916 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2ccc(OC)cc2)n[nH]1 1814735073 YAJOIUGURFYCQD-GCJKJVERSA-N 452.599 5.207 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)[nH]n1 1814827731 WRFSTBBFZLDVSZ-OAQYLSRUSA-N 489.542 5.217 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCCC2(F)F)n[nH]1 1815351531 XENUKMRFAIVOHK-AZUAARDMSA-N 478.660 5.278 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815656277 LYGPFHAFHHOBDG-NZQKXSOJSA-N 475.058 5.414 30 20 JKED CC(C)c1csc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)n1 1816064512 YVPZQKUWNNXLDL-IIBYNOLFSA-N 476.606 5.236 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)n[nH]1 1816180319 PWOHCVDXYFATED-KRWDZBQOSA-N 495.958 5.358 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3nc(C)ccc3o2)n[nH]1)c1ccccc1 1817689921 BFQVLKWNGUEUCW-XUZZJYLKSA-N 495.583 5.362 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817755998 MGJSTJKFCPSTJA-OAQYLSRUSA-N 479.968 5.218 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)ccc1F 1818813320 SVLDUJXAXZAPFR-KMEWNKIWSA-N 497.530 5.115 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1 1819384800 YRHSVFAECHTQJU-XUZZJYLKSA-N 468.649 5.164 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)[nH]n2)cc1 1821183279 ULZDAZRAEBBTHO-OAQYLSRUSA-N 499.468 5.253 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)c1 1821301363 OHHWUGDYWYUOET-VWLOTQADSA-N 467.573 5.097 30 20 JKED COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1Cl 1823245251 MAHKQGUZXJLBEB-AOMKIAJQSA-N 491.979 5.318 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)[nH]n2)cc1C#N 1823293083 YHVGSGQVKJQXLQ-HSZRJFAPSA-N 496.571 5.170 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1823423657 IOQPFLYEQMRUDV-HSZRJFAPSA-N 465.557 5.049 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1823890219 MASWFKAEYHYHRV-FQEVSTJZSA-N 483.962 5.071 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3OC(F)(F)F)CC2)cc1 1823913876 BEMCRAGHUAZEJO-QHCPKHFHSA-N 499.533 5.198 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1 1824537822 GBUUDKKRJRDIIO-CLJLJLNGSA-N 481.706 5.282 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1824540596 ZWRCAHHTRWVBNY-URXFXBBRSA-N 489.081 5.788 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825092415 RETAOAMNOBGKMW-CRAWXWEASA-N 459.634 5.569 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c[nH]c4ccc(C)cc34)CC2)c1 1825099131 MUPMTWHPXUJYQL-MUUNZHRXSA-N 482.628 5.132 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825436147 XZHZDWDILVYNNL-XCZPVHLTSA-N 489.660 5.692 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)cc1 1826569345 DYINSUHQTBVBEF-VWLOTQADSA-N 464.009 5.078 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CC2)c1 1826779964 ALLWWNFSJVMZJI-RDPOUHODSA-N 496.655 5.170 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 1828823077 OMXZDNBWSIXIEA-LEWJYISDSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCNc2ccc(C)cc2C)CC1 1828826296 BBQRIUPQIVRTTO-VPUSJEBWSA-N 465.682 5.494 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1828829627 FMWAJIYFPLOFHT-NZQKXSOJSA-N 491.047 5.418 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccccc3n2)CC1)c1ccccc1 1829032910 SJMROHMEKOTPEM-SVEHJYQDSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1829068572 FJPKYODJSSGWCW-HSZRJFAPSA-N 475.624 5.257 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1829068931 YSLIUBDVRNHZGT-HSZRJFAPSA-N 485.072 5.371 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1829691862 RBDGHZRZVMZJMA-NTKDMRAZSA-N 464.009 5.249 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)CC2)ccc1Br 1830021669 NYMPCXLAUOEELZ-QHCPKHFHSA-N 498.396 5.007 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)CC2)c1 1830591026 QOCNZBLEUICTOS-NDEPHWFRSA-N 484.644 5.096 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc2c[nH]nc12 1830864347 OBVFYDKWTYVRSW-VWLOTQADSA-N 492.740 5.156 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSC2CCCC2)CC1)c1ccc(O)cc1 1831921404 OKZRPTFREZVNEV-RPLLCQBOSA-N 496.717 5.185 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1832922532 RHKGJWQMEWCRKS-WXFUMESZSA-N 489.701 5.068 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)CC2)c(Cl)c1 1832956460 HHZFYAFIRYYPNW-MHZLTWQESA-N 490.047 5.250 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832960215 CTPXEMWCZGNUQS-NRGMSUJUSA-N 465.663 5.028 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(Cl)c(F)c4)CC3)CC2)c1 1838660904 SHIVVBWWBOPHTA-GOSISDBHSA-N 497.998 5.032 30 20 JKED C=CCOCCCC(=O)N1CCCC12CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1841605461 HCXKGNYZOCBASU-UHFFFAOYSA-N 492.582 5.553 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2sc3c(c2c1=O)CCCCC3 9194886 LKXXIXVMBNEHJV-UHFFFAOYSA-N 493.576 5.663 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1cc(Cl)cc(Cl)c1 10179119 PTGVRSJIDDBDNA-UHFFFAOYSA-O 488.416 5.665 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1cccc(Cl)c1 10830439 IWEWMHXBNGMJHG-UHFFFAOYSA-O 453.971 5.012 30 20 JKED CCOc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(OC)cc3)=C2C)cc1 11206863 KNLJIIOXSMQPDC-AREMUKBSSA-N 498.608 5.314 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccnc4)n3C)c2C#N)C1 14110009 HNUQUKCUAPEDCY-MRXNPFEDSA-N 480.663 5.082 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(N(C)C)cc2)c1 14872183 FRPOVSTURHJYFL-UHFFFAOYSA-O 473.449 5.960 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc(OC)c1OC 15188086 IXCKOSWEIMXJMJ-SOFGYWHQSA-N 474.485 5.028 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2ccccc2)c1 16024218 SDOMRNCSWQDLDV-SFHVURJKSA-N 485.005 5.221 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccccc2)c1 16024219 SDOMRNCSWQDLDV-GOSISDBHSA-N 485.005 5.221 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C 20064977 MYEUOTNHDUXOFO-UHFFFAOYSA-N 485.681 5.732 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@@H]1COc2ccccc2O1 21088786 CNDRUKSWLUALMJ-SFHVURJKSA-N 477.373 5.014 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22691871 YDVAEMSXXOGVRD-SANMLTNESA-O 473.662 5.396 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)c1 22729793 VBWYMUJDCKLXDG-UHFFFAOYSA-O 455.647 6.009 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nc2ccccc2c1=O 27593118 LKBMEBJGHGYIQS-UHFFFAOYSA-N 451.573 5.016 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 28793809 YADAHNBSDIPZLX-UHFFFAOYSA-O 476.666 6.032 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3cccnc3Sc3ccc(C)cc3C)n2)n[nH]c1=S 30689235 BVEDHQVAWKZAMT-UHFFFAOYSA-N 494.671 5.589 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 107806298 HIRDTUZBXDVFIZ-UHFFFAOYSA-N 468.460 6.243 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc(OC)c1OC 116738914 CAZJXZSFWZVIRQ-ZDUSSCGKSA-N 451.331 5.229 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(CCCC)n[nH]2)c1 303040412 ZRNZQBOKGZJGBE-UHFFFAOYSA-N 472.998 5.039 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 482933486 RELVNEILLHUWRI-UHFFFAOYSA-N 471.576 5.802 30 20 JKED C=CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 488918904 SACWXBJABCSBGN-UHFFFAOYSA-N 466.350 5.139 30 20 JKED Cc1nc(SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C#N)c(C)c1C 501443791 OBJMOQMYZVISIN-UHFFFAOYSA-N 456.571 5.254 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 502661019 OMTUJEROJDBSHP-UHFFFAOYSA-N 460.347 5.044 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 503246084 MWHCBLVNBNVJQF-UHFFFAOYSA-N 473.964 5.208 30 20 JKED COc1cccc(Cc2nnc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)s2)c1 504186901 DWAGBDQQAVJURR-UHFFFAOYSA-N 487.560 5.383 30 20 JKED Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)sc1SCC#N 504701014 QGUJUNQYVRNOPJ-UHFFFAOYSA-N 486.582 5.373 30 20 JKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 505324325 FYUNDENUFTUWQL-UHFFFAOYSA-N 463.990 5.571 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1 506015871 ZGDQAKUCDMOVEW-OSPHWJPCSA-N 487.991 6.162 30 20 JKED COc1ccc(OC)c(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C2CC2)c1 511309183 XAVKFGLIEZUDNQ-UHFFFAOYSA-N 471.557 5.545 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CC1 511594658 CTMXQVGIXCKQOV-UHFFFAOYSA-N 473.464 5.092 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CSc3nc[nH]n3)c2C#N)C(C)(C)C1 513214785 PICYUEIRQDNXGF-SNAWJCMRSA-N 467.645 5.617 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1cccc(C)c1 514322205 DNRKHDFTQNYFMU-MRXNPFEDSA-N 465.648 5.452 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCSc3ccccc3)cc2Cl)cc1 515896028 CIXUTOKXZBOJGV-UHFFFAOYSA-N 465.962 5.241 30 20 JKED C[C@@H](Oc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cn1)c1ccccc1 515936018 DMAKJYAKZXEXSA-MRXNPFEDSA-N 473.583 5.489 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c1 516698217 GBWNXNHGCIAGEA-UHFFFAOYSA-N 459.933 5.279 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 517447877 VKHKYMXJTOXRBM-OAHLLOKOSA-N 488.038 5.173 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 517530418 OSTCMRWAEZDASA-LJQANCHMSA-N 469.545 5.099 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(C(=O)Nc2ccccc2)cc1 518667496 BWKZFAUNQGHZKE-LJQANCHMSA-N 475.639 6.063 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 518668910 TVAOSRDVMJZTPJ-QGZVFWFLSA-N 454.555 5.198 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 521725975 KBGOPSAQJYWWLT-INIZCTEOSA-N 494.414 6.205 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 524565676 CRMWBZBYFAWCKN-RTBURBONSA-N 469.630 5.102 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc3[nH]ccc23)nnc1-c1ccc(Cl)cc1Cl 588861098 NJGFZRKGDCDLAP-UHFFFAOYSA-N 458.374 5.650 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591037199 MLAPIGLENMVQBB-IACUBPJLSA-N 497.480 6.527 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 604068246 MNBOSFFLPACBPE-VWLOTQADSA-N 466.516 5.170 30 20 JKED CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604089560 DQGDEDIDLNJYBY-UHFFFAOYSA-N 454.958 5.259 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 604523328 IMJPGSPDKGGGPH-WNCULLNHSA-N 483.568 5.224 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1 608784949 JNDIACFJDNOFSR-UHFFFAOYSA-N 497.599 5.951 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)cc(OC)c1OC 609008150 QFLNEHXMTKYDGE-QHCPKHFHSA-N 499.571 5.008 30 20 JKED N#C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1ccc(OCc2ccccc2)cc1 609173280 NUOWSILYICGXHM-NRFANRHFSA-N 458.543 5.081 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609184970 JPNCJXFRFKAKRL-UHFFFAOYSA-N 462.553 5.403 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 609191942 HGYPAGPJNPRZAA-UHFFFAOYSA-N 456.384 5.032 30 20 JKED CCCCc1c(C)nc2nc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)nn2c1C 609371281 FZPRXNBOFQMTAX-OAHLLOKOSA-N 468.652 5.066 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 609400749 VAVIIJGWRQVZKI-BVZFJXPGSA-N 489.666 5.723 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc2cc(Cl)ccc2s1 613407471 UMRFCLTZWNDNBJ-OAHLLOKOSA-N 457.740 5.388 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1F 726411996 PNNWSEKFTDRCBP-FQEVSTJZSA-N 487.553 5.195 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccsc1)c1cccs1 726420983 NIQFHKLMUNCAEW-NPDXCZOBSA-N 473.620 5.539 30 20 JKED N#Cc1ccc(NC(=S)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)cc1Cl 726464182 HUHCDVFLBDZPIC-UHFFFAOYSA-N 479.005 5.496 30 20 JKED N#Cc1ccc(NC(=S)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)cc1Cl 726484463 DIENGHKJOOCKCZ-UHFFFAOYSA-N 467.381 5.763 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC)c(Cl)c1 726893192 YREUMZZRUBTFTA-HXUWFJFHSA-N 459.999 5.336 30 20 JKED CC(C)C[C@@H](C)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc2[nH]ccc2c1 726916533 XQFLZNJQWUSBJK-LJQANCHMSA-N 451.592 5.327 30 20 JKED CCCCCCCCc1nnc(NC(=O)N2CCC(NC(=O)c3cc(C)oc3C)CC2)s1 727586944 UXUFHSXDUUEFEH-UHFFFAOYSA-N 461.632 5.077 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccccn2)cc1 728423184 KFYDCYKTOTZDCF-XMMPIXPASA-N 483.597 5.237 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ncccc3C)C2=O)c1 729633630 FWVSEBSSNZABCT-XMMPIXPASA-N 488.613 5.176 30 20 JKED CC(=O)N(c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1)c1ccc(C)cc1C 729767549 NABBTYHEHKFDAM-UHFFFAOYSA-N 458.543 5.280 30 20 JKED COc1ccc(-c2ccc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c(F)c2)c(F)c1 730472611 APMBGHAYSMMNPG-UHFFFAOYSA-N 471.463 6.260 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@@H](C)c3cccnc3)C2=O)cc1 730945423 RGJISVBGTJMPJE-MBSDFSHPSA-N 476.577 5.559 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(-c2ccccc2Cl)n1 731080541 PATABSBLFXAWFE-CQSZACIVSA-N 471.991 5.653 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731305858 HDBVBRRUCBZQBP-LJQANCHMSA-N 469.563 5.062 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310759 PGMMZDQPICUGMW-IBGZPJMESA-N 469.563 5.062 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2cccc(OCc3ccccc3C#N)c2)NC(=S)N1 731339102 OPHGAQQGVRSUPM-MHZLTWQESA-N 496.636 5.692 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2)c2ccccc12 732622598 RFZCFDKJMLUGLD-UHFFFAOYSA-N 490.559 5.845 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(OCCc3ccccc3)CC2)c1=S 742557003 SJKHUIKXAVIHEA-UHFFFAOYSA-N 452.599 5.087 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1F 746695874 JBCZXQTVGYLOCJ-JOCHJYFZSA-N 471.598 5.220 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c1C 747598793 DYWJFBYCONREDN-FQEVSTJZSA-N 482.606 5.102 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)cc1 747603347 UADCYIAKMDYUEB-OAQYLSRUSA-N 482.606 5.566 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cc1 748179528 CYQPYSGLNOWJLJ-INIZCTEOSA-N 483.442 5.302 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1Cl 799217848 RQZSEQJINMFXJR-AWEZNQCLSA-N 476.307 5.516 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(CC(F)(F)F)C1=O)Nc1ccccc1 799222103 QENHRRGOOYGHDZ-OAHLLOKOSA-N 491.413 5.108 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)c3ccccn3)C2=O)cc1 838538118 HHIADHMLMIUGLK-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED N#Cc1ccc(N2C[C@H](c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)CC2=O)cc1Cl 904479229 IQTQQSZPUPQSIN-HXUWFJFHSA-N 494.942 5.180 30 20 JKED N#Cc1ccc(N2CCC(c3nc(-c4cccc(OCc5cccnc5)c4)no3)CC2)c(F)c1 904502280 FOTXLYFXMACHNA-UHFFFAOYSA-N 455.493 5.105 30 20 JKED CC(=O)N(c1nc(/C=C2/COc3c(Cl)cc(Cl)cc3C2=O)cs1)c1ccc(F)cc1F 912858911 KOOXEKRBUAEXDN-WCIBSUBMSA-N 481.307 6.071 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1 914549114 ZKYYMVUIQIDNOG-HTAPYJJXSA-N 479.005 5.134 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccoc2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915101388 ALMWFPMTOKIPGP-QGZVFWFLSA-N 474.369 5.439 30 20 JKED N#C[C@H](C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2ccc(Cl)cc2)cs1 915101546 IHYRRCYJPWFKIG-KUHUBIRLSA-N 474.394 5.796 30 20 JKED C=CCN(C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(Cl)cc1Cl)C(C)C 915147763 JOHJPDAKSUEMLP-UHFFFAOYSA-N 455.407 5.245 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C[C@H]2CCCO2)C1=O)Nc1ccc2ccccc2c1 916208356 AEHAUACDSSTSHN-NFBKMPQASA-N 477.561 5.118 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1 916210792 JFJIONZCQPDMHI-IBGZPJMESA-N 471.485 5.042 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(Cl)c1 916212142 JMGBQPGINVUGOS-IBGZPJMESA-N 480.417 5.299 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cs1 916238817 HLTBDQXOHGQDNN-UHFFFAOYSA-N 494.411 5.109 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 916695443 LFXOEQFRTHJVKZ-DFOVGDGWSA-N 495.432 5.175 30 20 JKED C[C@H]1CN(c2ccc(CNCc3cccc(OCc4cccc(C#N)c4)c3)cc2F)C[C@H](C)O1 916836150 HJRZXMKKHKDDFU-SFTDATJTSA-N 459.565 5.180 30 20 JKED N#C[C@H](C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 916887960 QNRWJGYULKTDAY-OAHLLOKOSA-N 457.329 5.978 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1Cl 916939345 QOAKICFESNACQE-QGZVFWFLSA-N 489.837 5.516 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(COc3ccc(F)cc3)n2)cc1 916951454 YMQALZIEELHODP-FOIQADDNSA-N 451.523 5.336 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 916955513 REYOCMBRELIXCL-QVKFZJNVSA-N 479.378 5.418 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(O)c4c5c(sc4n3)C[C@H](C)CC5)n2)cc1 916975025 VAIPJJIHLVSRIP-QAPCUYQASA-N 488.638 5.763 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccccc2)cs1 917026525 GERXBVWNDNMUKJ-KRWDZBQOSA-N 468.365 6.581 30 20 JKED N#C[C@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 917044292 QMNQLTARLGEIPA-OAHLLOKOSA-N 456.449 5.564 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 917505161 KJIUFDZDURWOKI-CKDFRHGISA-N 480.973 5.795 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(OCCC(C)C)cc2)cs1 917562349 FUNHBQFICKVABT-JYRVWZFOSA-N 452.551 6.288 30 20 JKED N#CCOc1cccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 917605255 XTPWXHWWWKQTSK-PXLXIMEGSA-N 463.415 5.248 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C3CC3)CC2)c1 917711755 CKTRUKVRYMAIFG-RUZDIDTESA-N 490.673 5.397 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)sc2c1-c1ccccc1CC2 917774689 RPWKCHFJDOUGNH-RAXLEYEMSA-N 467.594 5.276 30 20 JKED O=C(CCc1ncc(-c2ccccc2Br)o1)N1CCCSC1=Nc1ccccc1 919679988 VRUDKGZLHCEHDC-UHFFFAOYSA-N 470.392 5.690 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)s2)cc1 919965877 UNTOFQIOBRTBDI-UHFFFAOYSA-N 486.504 5.159 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 920138828 KQYVFKBXDNHSRS-SFHVURJKSA-N 464.934 5.331 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140516 FJKHHNDHWYNSTH-GOSISDBHSA-N 475.371 5.584 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)nnc1-c1cccc(C)c1 920143983 VQBSYIKQBBSEPT-HXUWFJFHSA-N 489.626 5.374 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 920360378 XRABGNLSZDMPHP-DEOSSOPVSA-N 484.581 5.605 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc(-c2c(F)cccc2F)cs1 920806359 VWVVTXHFYOWNFR-ZDUSSCGKSA-N 491.972 5.532 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3c(Cl)cccc3s2)C1 1778718901 AYICNAGROJJKFR-XZLZDHACSA-N 487.065 5.451 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](c1ccccc1)[C@H](C)CC)C2 1779267447 VCRQOHCVRUAMCS-YUIHFNDKSA-N 466.666 5.099 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC(F)(F)C4)cc3)CCC2)c(C(F)(F)F)n1 1785801857 ZWURHLFZPMJHMC-CQSZACIVSA-N 492.448 5.155 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC(F)(F)C4)cc3)CCC2)cc1C#N 1785803469 LWONKMPVRBOTMS-LJQANCHMSA-N 481.543 5.529 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4cc(OC)ccc34)cc2)CCC1 1786169785 ZAAUKSJTRFEQBM-DEOSSOPVSA-N 471.601 5.622 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CSC4CCCC4)cc3)CCC2)c1 1786349626 DBRCPXIQSWSDEH-IBGZPJMESA-N 461.631 5.737 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CCC2)cc1 1786365856 SUEOAULMOHVNMH-YADHBBJMSA-N 468.544 5.185 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Sc3cccs3)CCC2)cc1 1786367008 PFDAUZWOQFNNCC-GOSISDBHSA-N 458.649 5.346 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4nc3C)cc2)CCC1 1789248661 QPZFQXIGQJXBQD-QHCPKHFHSA-N 454.574 5.454 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(NC(C)=O)c3)CCC2)cc1 1789456219 MCJQSKNFEBAQAV-HSZRJFAPSA-N 475.589 5.170 30 20 JKED Cc1cccnc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790081920 OYZNBVPLOHTFTO-UHFFFAOYSA-N 472.976 5.296 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)OCCO5)CCC3)cc2)c(Cl)c1 1790767234 PXSUYLULGLFORY-UHFFFAOYSA-N 487.943 5.044 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(O)c4cc3OC)cc2)CCC1)C(F)(F)F 1790930089 UKGHGNAWLYCNJH-UHFFFAOYSA-N 484.474 5.420 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1791300572 OZAYKKGCESOWST-UHFFFAOYSA-N 461.512 5.708 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791516747 SSTRHBIRXLTAHB-KNQAVFIVSA-N 471.642 5.272 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ncc3Cl)CCC2)cc1 1791582083 UYPKCGLGHPNTIP-UHFFFAOYSA-N 474.786 5.049 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)CCC2)cc1 1791589713 QOQRPKNTXOJGRW-NRFANRHFSA-N 495.664 5.514 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4)CCC3)cc2)c1 1792121944 DFCLAVUTSYNIGD-QGZVFWFLSA-N 458.949 5.424 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C 1800832711 QAEIDVRTSKVIOX-REPLKXPHSA-N 491.579 5.114 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1802493109 UVCYLPUBVBOJSH-BVAGGSTKSA-N 486.616 5.357 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1802498826 NWBMSFPNAFSNOR-ILBGXUMGSA-N 479.690 5.489 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccccc3)CCCC2)[C@@H]1c1cccnc1 1802868435 ISVGQHAAWVTQQI-BDYUSTAISA-N 471.645 5.368 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1803082764 YKUTXKSWVQFYAK-GGXMVOPNSA-N 494.639 5.540 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1803455452 YBZBKVCQQBDAGC-WNCULLNHSA-N 490.047 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](c3ccc(Cl)cc3)N(C)C)CC2)C1 1804866751 MMRHDJHPXVUGBV-HSZRJFAPSA-N 474.089 5.166 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)[C@H](c4ccccc4)C(C)C)C3)CC2)c1 1805624161 ZIWPQZRHFOGARW-SANMLTNESA-N 457.618 5.151 30 20 JKED C#CCCC(=O)N1CCC2(CCCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)CC1 1805626053 DSORJMLMAOEGLH-UHFFFAOYSA-N 455.042 5.258 30 20 JKED O=C(C#CC1CC1)N1CCCC2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CC2)C1 1805889821 FIHPLRSRCLMIFD-HHHXNRCGSA-N 476.567 5.143 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1809205072 CAGYCSUAAGUJJH-CJFMBICVSA-N 491.035 5.595 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1809342506 PLPNCTVTVMFJIO-URXFXBBRSA-N 476.646 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810075153 KBDBRKMKBNQUBN-NTKDMRAZSA-N 479.024 5.528 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@]2(F)CCCC=C2F)[C@@H]1c1cccnc1)c1ccccc1 1810446662 FXBMXBKWKSUODX-PDRJRCDBSA-N 491.582 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1810504075 VXYUJRVSBDPMTB-NLFFAJNJSA-N 491.035 5.595 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)sc2Cl)[C@H]1c1cccnc1 1810504540 DZHBOJMJPMTESF-APWZRJJASA-N 480.461 5.762 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c1Cl 1811421411 PZQOFGIMQUZIIL-GCJKJVERSA-N 490.972 5.048 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)[C@H]1c1cccnc1 1812584982 YFYQPAKSUXVPIK-VWBUHFTISA-N 485.628 5.015 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@@H]1c1cccnc1 1813050047 KQNZFEXFAIWEAM-QDPGVEIFSA-N 487.550 5.150 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1Cl 1814591263 CSNGOGCEABKGQT-GAJHUEQPSA-N 475.980 5.618 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817212079 KCEZWKZAAQBMGG-DFTHGDFUSA-N 487.648 5.548 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818115493 FWBWJTLTLVENEN-YWXHXYCISA-N 476.602 5.096 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)s1 1818343432 UNGKCWAEQRLLAN-HXUWFJFHSA-N 475.618 5.454 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4[nH]ccc4s3)n[nH]2)c1Cl 1818790234 IIPMXIVSUTVSNH-KRWDZBQOSA-N 478.965 5.097 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1)C(F)(F)F 1818985170 FARBWNQGMPMSCR-QGZVFWFLSA-N 499.415 5.334 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)[nH]n1 1819309039 KSPDNLDSTQPBHT-VLIAUNLRSA-N 462.928 5.416 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1819359845 HOCRNXQJNVCOGD-FONVQFNRSA-N 499.640 5.957 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc(OC)cc2)[nH]n1 1819552613 RTVVZLYITCEXCQ-GCJKJVERSA-N 452.599 5.207 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)[nH]n1 1819552712 YBGNQSXMCSFWCL-DEOSSOPVSA-N 473.621 5.575 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)[nH]n1 1819554568 ILNXNJVMQLTWIX-HSZRJFAPSA-N 499.619 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)[nH]n1 1819555742 YQJDFOWMPYYJKY-LJQANCHMSA-N 458.990 5.370 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237538 NDFKIAYMHYVPMX-HOYKHHGWSA-N 476.552 5.113 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)[nH]n2)cc1 1821182583 UKTZBBVSWGEXIZ-RUZDIDTESA-N 490.567 5.157 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821525440 WGWIXSDSRVTEPM-SFHVURJKSA-N 454.621 5.158 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1)C(F)(F)F 1821528021 OQMICRQPMHJCKS-INIZCTEOSA-N 462.497 5.357 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821609869 NUCFXZLNHIJKAX-ICSRJNTNSA-N 493.589 5.607 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CCc4ccccc43)n[nH]2)cc1C#N 1822525535 GMZYMMWBHJEZFF-UKILVPOCSA-N 497.599 5.104 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n[nH]1 1823136026 ZDQZYJMMVULFEV-JOCHJYFZSA-N 498.505 6.103 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)[nH]n2)c1 1823215040 MBWCAOFFPWXZMX-HTAPYJJXSA-N 467.529 5.403 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1 1823899526 ZGJORFUHUKMTFQ-QHCPKHFHSA-N 471.935 5.037 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3cccc4ccccc34)CC2)c1 1824952524 DSDSRDICNAYZCI-MHZLTWQESA-N 481.596 5.024 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)CC1 1827710028 MSKCOKHLXLXZHA-RUZDIDTESA-N 476.665 5.406 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828467452 MFPQURNZUYXJPF-SFHVURJKSA-N 494.451 5.420 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1828826974 PHURMZUIBACFFA-ZEQKJWHPSA-N 460.622 5.078 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1828827603 QBAUPUOXWJGJIM-XZOQPEGZSA-N 462.556 5.707 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)nc3ccccn23)CC1)c1ccccc1 1829033248 UYXNXCGGADBOPA-RRPNLBNLSA-N 496.655 5.073 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1 1829068451 XCTVRMIBFHHXEP-QHCPKHFHSA-N 479.036 5.470 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2OC)CC1 1829069973 DHIVXDSVDANKBH-QHCPKHFHSA-N 475.073 5.503 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1830475874 XHSXAHNOBFBDPQ-DEOSSOPVSA-N 485.962 5.231 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Br)c2F)CC1 1830503238 JGTGCZOHZSTYRM-UZLBHIALSA-N 465.407 5.034 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1830629475 ZFRFQWLSAAOCJG-GDLZYMKVSA-N 492.623 5.362 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c1Cl 1830632933 AANWTQUQLOGKTF-XMMPIXPASA-N 464.009 5.262 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1830635441 NGLGDBCZLJGVCV-SANMLTNESA-N 482.584 5.069 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830663591 PYMVZBOVXXVUSE-VGOFRKELSA-N 465.009 5.323 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)CC1 1830684300 WQZNYMHQAOWETJ-QHCPKHFHSA-N 470.654 5.238 30 20 JKED CCC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CCC1 1830685555 QQMATJQXUDDUFY-JOCHJYFZSA-N 486.454 5.134 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830734010 TXXIRAKHHYCDIS-NZQKXSOJSA-N 471.573 5.044 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830734625 ALQSPZUBPHCCGE-HXUWFJFHSA-N 453.385 5.169 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1831371317 UFGFLZFQGFAPCI-CVDCTZTESA-N 451.636 5.256 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 1831377432 GIAKZLLXPOWNID-LADGPHEKSA-N 491.717 5.294 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1831446027 RVEWQNROURPJBX-HXUWFJFHSA-N 461.578 5.049 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1)C(F)(F)F 1831448917 OIUMQHSTTQGTIW-QRWLVFNGSA-N 456.936 5.182 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1)C(F)(F)F 1831454860 CZKZZWXBWUGTCM-GOSISDBHSA-N 496.879 5.711 30 20 JKED C[C@H](Cc1ccco1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832280112 PWNHIQFFZCADAE-RDGATRHJSA-N 470.730 5.129 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)CC1 1832549726 AQCVXWWDLSLYJD-DEOSSOPVSA-N 459.030 5.350 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1 1832633720 MYTWAZALQFYMSP-PIKZIKFNSA-N 495.627 5.251 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4c3CCCC4)CC2)cc1 1832643812 HOYQDOGIPUESFF-MUUNZHRXSA-N 469.629 5.179 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832687921 GASFCIMRQYMZKG-KNQAVFIVSA-N 464.984 5.620 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)CC1 1838373325 IXEVXIVICJVJGI-AREMUKBSSA-N 493.692 5.058 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1)c1ccccc1 1838417406 BJQPNCWHOLAABE-HYFMXHDLSA-N 490.688 5.009 30 20 JKED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3ccccc3Oc3cccc4ccccc34)C2)CCC1 1845547047 BIWIVFMKSATMNX-UHFFFAOYSA-N 465.553 5.143 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nnc1-c1ccccc1 9447045 BHWHNWCNXJYGKB-UHFFFAOYSA-N 475.643 6.181 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173107 WWYJBBCBPPBTNG-UHFFFAOYSA-O 472.033 6.578 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(NC(=O)c3ccccc3)CC2)c1=S 14225330 QFYHEUFZNWXHNF-UHFFFAOYSA-N 489.689 5.416 30 20 JKED C=CCN(C(=O)c1ccccc1I)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724220 KZKXUOIRGMQRRC-UHFFFAOYSA-N 491.310 5.156 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2ccc3c(c2)CCCC3)c1 14872250 ZDXVPKXZOIPERH-UHFFFAOYSA-O 473.618 5.237 30 20 JKED Cc1cccc(-n2c(SC[C@@H](O)COc3ccc(CC#N)cc3)nnc2-c2c[nH]c3ccccc23)c1 15234444 BZKDECKWWJYYJA-QFIPXVFZSA-N 495.608 5.322 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)n(Cc2ccccc2)c1C 16627134 MYYSOXTUOMXJFF-UHFFFAOYSA-N 482.569 5.287 30 20 JKED CCn1c(SCC(=O)NC2(C#N)CCCCC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 17126230 OFTLUVDVOCKTCZ-UHFFFAOYSA-N 484.622 5.027 30 20 JKED N#Cc1ccc(/C=C(\Cl)c2nc3scc(-c4ccc(Br)cc4)c3c(=O)[nH]2)cc1 18064816 RJIMEFDZSLJTCE-MFOYZWKCSA-N 468.763 6.023 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 22183518 XGPZSZZSTJCLBR-HXUWFJFHSA-N 491.419 6.033 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccc(OC)cc1 32326473 PEODLTGNDGFRRR-FQEVSTJZSA-N 490.551 5.914 30 20 JKED C=CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)ccc1Cl)c1ccccc1 58642094 HZDKIIDSKUAWLI-UHFFFAOYSA-N 470.978 5.007 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C(C)C)C2CCCC2)ccc1Cl 110655931 YICHNEYZUHIMQQ-UHFFFAOYSA-N 495.472 6.168 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)n2)n[nH]c1=S 115622750 ONKDEGSZWUIPBI-UHFFFAOYSA-N 480.600 5.296 30 20 JKED N#CC1(C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)CCCCC1 115806593 OOKJRWFPHBXHLT-UHFFFAOYSA-N 452.363 5.207 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@@](C)(C#N)C(C)C)ccc1Cl 302222194 NTQFERKBAPIUBH-QFIPXVFZSA-N 480.417 5.043 30 20 JKED Cc1cccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cs2)c1 303228422 XBCMZERKRQALTI-UHFFFAOYSA-N 453.567 6.059 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1C#N 483157625 NAYJZCXHNPHGCM-MRXNPFEDSA-N 488.588 5.364 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1 485117689 CFGZLDNTICPWOS-UHFFFAOYSA-N 493.329 5.173 30 20 JKED COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc(OC)c1OC 489407396 LRHHKTVAOVZFKH-XSFVSMFZSA-N 483.568 5.123 30 20 JKED Cc1cccc(C(=O)N[C@H](C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C(C)C)c1 501463933 XCBHBQWRKBQZJV-SANMLTNESA-N 455.558 5.033 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)C(=O)N(C)CCC#N 501554233 VATCQOVJODRQJR-OAHLLOKOSA-N 476.444 5.065 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2C)c1C 501574630 RJZSYIMUKDYSLD-UHFFFAOYSA-N 494.667 5.379 30 20 JKED Cc1nc(CSc2ccccc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cs1 501713182 AVOKWVQPJXWUOX-UHFFFAOYSA-N 476.627 5.106 30 20 JKED Cc1cc(SC2CCCCC2)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502638626 RNEKLVIXPNJNKC-UHFFFAOYSA-N 476.646 6.174 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503389913 ITDPJOQCVNEKRJ-UHFFFAOYSA-N 489.763 5.091 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1cccnc1 503718511 SSHVAERPELMADF-OAQYLSRUSA-N 469.614 5.236 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 509959040 VKWZSOCKRREVJG-SFHVURJKSA-N 477.586 5.980 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl 510005443 MZFIZOFRJYHTEP-HSZRJFAPSA-N 476.939 5.124 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 510270509 NFBILQQFJGRTKT-GOSISDBHSA-N 474.586 5.370 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(-c4nc5ccccc5s4)o3)CC2)c1 510808646 GHMWSTNWZMINMG-UHFFFAOYSA-N 458.543 5.181 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(OC(F)F)cc1 511306952 POBAWARCLSTFCT-QGZVFWFLSA-N 451.473 5.816 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(c3ccccc3)CCOCC2)cc1 511381982 KABGGLDEAWMHBV-UHFFFAOYSA-N 455.558 5.202 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCOc3cccc4ccccc34)s2)cc1 511548312 UPGUPOYKFGAVIS-UHFFFAOYSA-N 461.572 5.056 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 512568997 OOVPLPTUJDFJGT-UHFFFAOYSA-N 487.560 5.463 30 20 JKED CSc1nc(O)c(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)cc1C#N 515365965 MNJMXYDCIFDFOQ-UHFFFAOYSA-N 472.389 5.547 30 20 JKED C=CCn1c(SCC(=O)N(C)c2nc3ccccc3s2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 515482314 VOFLQWVAWABISE-CQSZACIVSA-N 496.683 5.134 30 20 JKED Cc1nc(-c2ncccn2)sc1C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 515585075 TWAUVFMZWYCJAY-HHUAMSDTSA-N 461.616 5.323 30 20 JKED Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)cc1F 517492294 TUKMVICHYKREAS-HXUWFJFHSA-N 492.359 5.236 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccc(OC(C)C)cc1 517517936 MHNSTWAKUQRLLQ-XMMPIXPASA-N 485.975 5.924 30 20 JKED C=CCOc1c(Br)cc(CNCc2cc(F)cc(Br)c2)cc1OC 517536674 ZANVCKNJYMFJNN-UHFFFAOYSA-N 459.153 5.214 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 518128048 OFLWNFXNDIRCKS-QGZVFWFLSA-N 478.643 5.494 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCCCO2 518147974 KUFRFGRTWHOWRW-OAHLLOKOSA-N 463.024 5.625 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 518653908 ODSVIFICDHMLIM-DLBZAZTESA-N 499.687 5.311 30 20 JKED CCCN(Cc1ccccc1Br)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 519882177 GAJAWVYVCQZFBV-UHFFFAOYSA-N 496.365 5.187 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 520939510 ZPTOWVZXCAXJAY-CYBMUJFWSA-N 484.931 5.855 30 20 JKED N#Cc1cccc(NC(=O)C(=O)N(Cc2ccc(Oc3ccc(Br)cc3)cc2)C2CC2)c1 520944138 URTMVXNBZZKKCN-UHFFFAOYSA-N 490.357 5.243 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)c1 523380631 ULTVMSBTPIWWDW-QPVYNBJUSA-N 481.596 5.934 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2c(Cl)cccc2Cl)o1 523950941 GKKNSJATIJOBLR-UHFFFAOYSA-N 458.374 5.704 30 20 JKED O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)Nc1cc(C(F)(F)F)ccc1F 524441079 QTXNDGAKXSWGNA-GOSISDBHSA-N 479.396 5.058 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1cccc(C)c1 589833763 SQEGNCQUTANKCM-UHFFFAOYSA-N 451.621 5.206 30 20 JKED CCOc1ccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)cc1 603650066 WFCTZDCMKHKNQC-UHFFFAOYSA-N 470.573 5.489 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003845 YZLLESSXFDMMQC-UHFFFAOYSA-N 461.587 5.939 30 20 JKED Cc1ccc(OCCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(Br)c1 604470124 QAGAQCJSGXCZTJ-UHFFFAOYSA-N 479.374 5.810 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 609060450 FKZHJKYUZAJSEO-UHFFFAOYSA-N 478.508 5.813 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccnc(N4CCCC4)c3)cc2Cl)c1 609079827 JRBHZKDGTBGPPZ-UHFFFAOYSA-N 461.953 5.108 30 20 JKED CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609086529 JLOHHKFJVSRRJZ-UHFFFAOYSA-N 474.369 5.103 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cs1 609104235 CARZTTRAWLPLSK-UHFFFAOYSA-N 490.516 5.068 30 20 JKED Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1Cc1ccco1 609212969 LXZDPOFJKFMVKE-INIZCTEOSA-N 477.977 5.539 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 609384551 OKYQHIMLEKMUEM-MRXNPFEDSA-N 490.535 5.375 30 20 JKED O=C(NCc1ccccc1F)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 618543432 RXOAWVXMMYWRCX-IYBDPMFKSA-N 491.407 5.350 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1-c1ccccc1Cl 622913159 MJUXGTVLTOYONC-QGZVFWFLSA-N 488.082 5.278 30 20 JKED C=CCN(C(=O)c1cc(SC)ccc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 636242067 UEGDTTORQWCJBI-UHFFFAOYSA-N 458.630 5.077 30 20 JKED C[C@@H](Sc1ncccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)N1CCCC1 726142065 LQRCFCPCPGLISG-DVECYGJZSA-N 470.598 5.092 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726319952 QMSJUKFOCWHCCV-OAHLLOKOSA-N 497.470 6.105 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cc(C)c(C)c(C)c1C 726570809 LGWSKQBUBBKVCL-UHFFFAOYSA-O 477.053 6.619 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC)c1 726885982 KJJSUDINAMBGON-QFIPXVFZSA-N 469.607 5.081 30 20 JKED CCN(C[C@@H](C)C#N)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 726961984 RCCXXAKKMWJTNN-AWEZNQCLSA-N 450.395 5.468 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 728029009 TWTNTHLLNIYFEF-HTAPYJJXSA-N 499.567 5.310 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CCCCC#N)C2=O)c1 728777061 XNBHAXFQRRYIBF-VWLOTQADSA-N 484.625 6.111 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c(C)c1 729144641 WOJABPIQOUBXLU-HXUWFJFHSA-N 482.606 5.368 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(C)C)c1 730442417 ITUXPBJIYUGNNF-XMMPIXPASA-N 490.629 5.618 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943889 MLHOZEVIMOPWAV-CYFREDJKSA-N 488.613 5.592 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 730953556 JPSBUCVOUAGFGW-LJQANCHMSA-N 488.638 6.316 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CSc1ccc2ccccc2c1 731063755 RTZUNNPTEJNGHJ-KRWDZBQOSA-N 450.585 5.366 30 20 JKED Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3S[C@H](C)CC#N)c3ccccc3C2=O)cc1 731338717 GSGFLEBKKJOSGR-BFWROUECSA-N 453.567 6.029 30 20 JKED C=CCOc1cccc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c1 731360436 CVMZIEBVIQXNQL-FQEVSTJZSA-N 461.509 5.044 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 747995690 PJRQULCNNSWWKO-OAQYLSRUSA-N 480.395 5.681 30 20 JKED N#C[C@H](C(=O)CSCc1ccc(Br)cc1F)c1nc2ccccc2n1C(F)F 748010437 PYNHTWXQWKGMDQ-CYBMUJFWSA-N 468.298 5.443 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N(C)C(=O)OCC)cc1 749333015 LGFNCNDRFHNWPO-UHFFFAOYSA-N 464.335 5.401 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 749361100 RALQBJZXEAFXQE-CQSZACIVSA-N 458.743 5.005 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1Cl 751260353 BUBVWAXLEKANCE-OAHLLOKOSA-N 452.750 5.498 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)o2)cc1 800779459 XVNKGHZSANEFIA-UHFFFAOYSA-N 464.905 5.215 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 837543297 RTBDIQOLJQEHPP-BTYIYWSLSA-N 466.513 5.081 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837886085 IQMSNBZCGQSJIT-KSFYIVLOSA-N 495.004 5.465 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc4ccccc4c3)nc(O)c2C#N)cc1 857991555 KTAPASVLHDNKFB-IRXDYDNUSA-N 484.581 5.241 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 913055537 ITVGHTLSVHAFCV-UHFFFAOYSA-N 499.427 5.798 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1 914543174 MCEWSEDZAMGHIU-NLFFAJNJSA-N 486.641 5.604 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1 915749941 VWEQMFUZHXHWMN-MHZLTWQESA-N 479.511 5.528 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccco2)C1=O 916216648 YAWFNJSGSWUFMV-OAQYLSRUSA-N 483.977 5.411 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976585 SOXNMMZNHHTZJY-KSSFIOAISA-N 456.354 5.346 30 20 JKED COc1ccc(CSCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 917045167 YBQJCNBZRSCYHX-CYBMUJFWSA-N 481.477 5.342 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047260 VAGXWWCAHXIZGW-HZMBPMFUSA-N 451.798 6.069 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(I)cc2)cs1 917564250 ZZCPSZDZXFKXGO-XFXZXTDPSA-N 488.350 5.637 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cccc(C)n3)C2=O)c1 917665391 YGBHASYASOPODO-DEOSSOPVSA-N 472.614 5.476 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2cccc(C)c2C)n1 917669997 IKFRVPIRMZAZHM-QFIPXVFZSA-N 494.020 5.216 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cccc(C)n3)C2=O)cc1 917678691 AFBPSAGNSAXEIX-QFIPXVFZSA-N 479.005 5.512 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 917876200 HWWZTXHNMVFQJO-UHFFFAOYSA-N 452.810 5.381 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 919652307 CKFVBNIBPBHRLH-SCTDSRPQSA-N 455.402 5.937 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)c1 920108209 CHLXHIOUQVBWFZ-IBGZPJMESA-N 483.293 5.350 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 920109582 SFRLENZIKRGLGE-FQEVSTJZSA-N 490.441 5.645 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)cc1C 920352604 QPRKBWQODAJEGJ-JOCHJYFZSA-N 480.565 5.208 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1c(C)noc1C 920355040 HIFHHQGSJFNYLC-DEOSSOPVSA-N 490.629 5.631 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccc3c(c2)CCC3)c1 920393757 FHEOTKYMHVTZBM-UHFFFAOYSA-O 486.661 5.891 30 20 JKED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1nc(-c2c(F)cccc2F)cs1 920804124 LOJINPYKRFDFFC-GOSISDBHSA-N 450.510 5.806 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 920804178 MOMPVCZDVNODLR-HNNXBMFYSA-N 471.941 6.284 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1OC 920868167 JDJVQBPKQBPWRS-KOSHJBKYSA-N 491.613 5.091 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 921277824 NRKHUPXLSNFSFX-UHFFFAOYSA-N 460.555 5.037 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1[N+](=O)[O-] 921305635 VIJAFAGQYYLCAL-UHFFFAOYSA-N 488.548 5.013 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(Cl)ccnc3c2)C1 1781205963 DXWABXXTVCRUJD-YIXXDRMTSA-N 484.040 5.008 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3C(F)(F)F)cc2)CCC1 1786606863 KPEAHKXOVNXKON-INIZCTEOSA-N 493.501 5.322 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCCc4ccncc4)cc3)CCC2)c1Cl 1786908114 BAVJSZKFAYTQST-UHFFFAOYSA-N 472.976 5.377 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(N)c(Br)cc3C)cc2)CCC1 1787948862 YWENOIWQXSQJFO-UHFFFAOYSA-N 482.422 5.281 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)/C=C/C(=O)c5cccs5)CCC4)cc3)[nH]c2c1 1788975065 IJCJMTBKFMRICH-VAWYXSNFSA-N 499.592 5.425 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)CCC2)cc1 1789454031 LNSIBRFRLVHMLL-PUHATCMVSA-N 499.627 5.236 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc1 1789489310 NZMIAXCOOZKWOX-SRTHRWLISA-N 473.598 5.447 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)CCC2)cc1 1790569705 IGVZNINMWAKRGU-WOVHNISZSA-N 490.648 5.051 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccc4cc(Br)cnc34)cc2)CCC1 1790964184 OVWDRBFMXATZTA-CQSZACIVSA-N 484.419 5.063 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cnc5[nH]ccc5c4)cc3)CCC2)cc1 1791490428 GHQFDRLJAWYOMT-UHFFFAOYSA-N 477.568 5.009 30 20 JKED Cc1ncc(CC(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)s1 1791837986 GTZWKHPQLSFABN-UHFFFAOYSA-N 467.711 5.179 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2sccc2s1 1798030845 BPTMKGLKSCXKRH-BCDXTJNWSA-N 458.725 5.266 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3ccc(Br)cc3s2)cc1 1798085852 ROEMZJOZKVFSGM-ACDBMABISA-N 494.414 5.101 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1csc(-c3ccccc3)n1)C2 1798419920 PIIAKYVGKSNJIY-KOUNCHBCSA-N 479.722 5.113 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)c(F)c2)cc1 1799342291 IAMLSZMZWXBSGT-QEIWAGNOSA-N 467.544 5.124 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccnc1 1802496357 PUMJDVQCFCIODI-XXBNENTESA-N 470.013 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C(C)(C)Cc2ccccc2)[C@@H]1c1cccnc1 1803021640 IVRTVLLEOORQRU-CYXNTTPDSA-N 459.634 5.125 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1803084582 UCNYVXCHOCVCSQ-LEAFIULHSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1803087519 CMRFHEPGQVFSGK-KCHLEUMXSA-N 469.629 5.053 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1803988403 FMLPFWLZNYPLLR-KICKQETISA-N 477.571 5.225 30 20 JKED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(F)c(F)c2CSc2ccccc2)C3)CCC1 1804111541 AIBYBQDHEYFJHG-REPLKXPHSA-N 495.595 5.203 30 20 JKED Cc1occc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1805621184 NEVSXFLDLQWSQN-LMSSTIIKSA-N 489.575 5.016 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CC2)C1 1806065232 CRPZFHXDOYUHHK-AVRDEDQJSA-N 484.628 5.081 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)C1 1806676717 GUSJPYGCDGTZCB-UHFFFAOYSA-N 477.630 5.192 30 20 JKED O=C(C#Cc1ccccc1)N1CCCC2(CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)C1 1809297763 BGTMCZTUNCQJCZ-UHFFFAOYSA-N 493.632 5.346 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1810171894 LBXIGVUSXZLZGA-HFASVGIHSA-N 494.639 5.540 30 20 JKED C=C1CC(C(=O)N2CCC3(CCCN(C(=O)c4cccnc4-c4ccc5ccccc5c4)C3)CC2)C1 1810400214 IBIVFMFVMAABMQ-UHFFFAOYSA-N 479.624 5.713 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1)c1ccccc1 1810443200 FFEXOXPABNEUAM-GNKBHMEESA-N 497.620 5.406 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1811182334 RYHONZSKQIHDCZ-XNMGPUDCSA-N 488.676 5.384 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)cc2c1 1811420735 WMJHXUXWVSHWTH-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc(Br)cc(C(C)C)c3)[C@@H]2c2cccnc2)C1 1811984249 SQRGTTQAPHVCRP-CYFREDJKSA-N 496.449 5.253 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)CC1 1812790961 ZOPWUKABJJCJPW-PAGNRNNLSA-N 476.596 5.018 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1F 1813864349 ZOZOQVHITMUAJK-KFACBJOOSA-N 498.602 5.109 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)c2[nH]1 1813865936 KDXMIFJEFFJPFV-UUPLDMHLSA-N 491.595 5.132 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3[nH]ccc3s2)n[nH]1 1818789368 NRAKWXTWVOKGKL-LJQANCHMSA-N 481.698 5.310 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1819385496 WPHSGPUJGPLKEA-NRFANRHFSA-N 493.709 5.376 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c(C)c1 1819386767 HHNWOULOFCYHIN-HSZRJFAPSA-N 480.685 5.084 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820087776 GEFGBMNYXQGREW-YADARESESA-N 491.617 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)n[nH]1 1820296446 QDCJZWOEKNOZLU-HXOBKFHXSA-N 493.011 5.528 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3Oc3ccccc3)n[nH]2)c1 1820437899 OOEBLQUSFXCJJE-VWLOTQADSA-N 491.551 5.693 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820822750 AHCFWCPAHUOVFD-PGRDOPGGSA-N 477.996 5.070 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1820969807 DGBNDLSBMIDVPK-RDTXWAMCSA-N 488.013 5.385 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](C)Cc3cccc(Br)c3)n[nH]2)C1 1822247675 KJDXSLKFDSSFNN-KKSFZXQISA-N 485.426 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccnc(C(C)(C)C)c3)[nH]n2)c1 1823212771 ZDECLTFAWZOZCX-WZONZLPQSA-N 484.604 5.349 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1823251639 KEDBZUTUTCOFLU-GOSISDBHSA-N 498.370 5.216 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2Cl)CC1 1824878683 QADXAOSOLUGXNV-ISKFKSNPSA-N 461.021 5.410 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2OCC2CC2)CC1 1825579303 LGJDSMXUXZXBEJ-DEOSSOPVSA-N 467.654 5.096 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)s1 1825790267 KOPWDXKVSMPPHM-NRFANRHFSA-N 456.011 5.129 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684752 QZIWEMQLDDLVIQ-SWDTZWKESA-N 478.658 5.048 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3ccccc3C#N)CC2)s1 1827906984 XKOLOUCFSZIXBR-JOCHJYFZSA-N 493.673 5.230 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1827922762 RKCOEDAVRLXLQT-AREMUKBSSA-N 498.652 5.158 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ncccc4c3)CC2)c(Cl)c1 1828036014 ZMRHWEDFFOKDBD-AREMUKBSSA-N 487.003 5.307 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)COC2CCCCC2)CC1 1828903883 OAPOUVYBMHPJJP-VWLOTQADSA-N 474.762 5.007 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829647200 GPQQQZWLJGTZHK-KRWDZBQOSA-N 487.925 5.281 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c(F)c1 1830471883 LTFZBHWYELLMKF-AREMUKBSSA-N 491.607 5.340 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)CC1 1830683211 CHKSPZLBDSLGJZ-HSZRJFAPSA-N 470.654 5.238 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 1830719032 TYXFASBOZDUYOE-QHCPKHFHSA-N 488.390 5.551 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c(Cl)c1 1830721979 WZGMUXPFXYQADX-URXFXBBRSA-N 495.973 5.363 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1830770754 JAZOJWBNFLOVKK-NDEPHWFRSA-N 485.628 5.203 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830876097 JNYYYUUDZXHJQP-VWLOTQADSA-N 466.025 5.315 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)CC1 1830950326 RHBAVNMEQIGOJK-AREMUKBSSA-N 490.644 5.556 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1831372764 JMQJYVDBRVIQNH-UZUQRXQVSA-N 475.555 5.632 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1831446872 KKABLLZRWMHAPE-QFIPXVFZSA-N 475.967 5.333 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831752028 UTIYAVJTKXZGPS-VPUSJEBWSA-N 472.645 5.168 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c(C)o1 1832701806 SDPJLYWIIOXYAF-VWLOTQADSA-N 477.605 5.102 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4cc(F)ccc4s3)CC2)CC1 1835563366 BJCNWTPGMVFGHN-UHFFFAOYSA-N 485.669 5.218 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1838711650 FPVSHHVNLUOBKY-IBGZPJMESA-N 454.636 5.034 30 20 JKED CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2Cc2ccccc2)cc1 8621069 FVTLGPMXTHDENY-UHFFFAOYSA-N 483.597 5.070 30 20 JKED CCOc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 10319382 ZGXWELBVMRPKEJ-UHFFFAOYSA-N 465.579 5.271 30 20 JKED C=CCn1c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 10534356 NBVPHQZJNJXNLM-UHFFFAOYSA-N 466.441 5.081 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2Cl)nnc1-c1ccc(Br)cc1 10609211 FWOSAPCTHHKKIS-AWEZNQCLSA-N 491.842 5.517 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(F)c(Cl)c1 10760931 HYOIOVMICMGEQO-UHFFFAOYSA-O 456.006 6.503 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 11083082 RGNKBHZTDHPSPX-UHFFFAOYSA-O 483.632 6.680 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159799 RORCLUGDVVARCO-UHFFFAOYSA-O 478.490 6.963 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccccc2CC)cc1 11253497 HYRITNRXAVLDAP-UHFFFAOYSA-O 467.636 5.442 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(N(C)C)cc1 11258208 GCCSOEADIMOWDY-UHFFFAOYSA-O 460.957 5.331 30 20 JKED CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccccc2)cc1 14872569 GBNLJOUZOGETJW-UHFFFAOYSA-O 473.540 6.221 30 20 JKED CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3ccccc3SCC#N)[nH]c(=O)c12 17189267 BNSHXKWEGDREGI-CYBMUJFWSA-N 472.661 5.228 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 21683244 YVFRNFAGBVVWKU-IRXDYDNUSA-N 480.659 5.030 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCc1ccco1)C(=O)Nc1sc2c(c1C#N)CCC2 28378086 GFKZRZFAECIBTK-CQSZACIVSA-N 452.557 5.178 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2cccc(Cl)c2C)c1 28779341 BBDLLMFUPDOULZ-UHFFFAOYSA-O 474.831 6.058 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2cc(C(=O)NC3CC3)c3ccccc3n2)c1 31783385 DXUQOGRATUMXPB-LJQANCHMSA-N 472.614 5.171 30 20 JKED Cc1nc(-c2cccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)cs1 32702449 CUIILCBKIQNZEJ-UHFFFAOYSA-N 459.531 5.093 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1Oc1ccccc1 32789561 ZJBRCDYCLQDAJE-UHFFFAOYSA-N 456.571 5.578 30 20 JKED C=CCOc1cccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)c1 108870057 PRVLBXKANCDSQR-LJQANCHMSA-N 453.391 5.048 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCC(=O)N[C@](C)(C#N)C2CC2)cc1 206790875 JPRZCAUTONUGKT-UXKHYLDDSA-N 486.641 5.404 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccccn3)C2=O)c1 255847028 RMTBFJIUCWJVOW-DEOSSOPVSA-N 472.614 5.476 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 302966971 RGZMRNFSLYPAHY-IBGZPJMESA-N 467.978 5.978 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)c2)c1 303123635 NPXNTZVVBRFTQU-UHFFFAOYSA-N 459.590 5.331 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCCc1nc(-c2cccs2)no1 303185110 LIUSDGGFRSQVOZ-UHFFFAOYSA-N 458.543 5.519 30 20 JKED CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 303230969 XTKMZMPTPZTPEO-XLIONFOSSA-N 453.970 5.014 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 303298229 OBENGIKVNDGOFS-CQSZACIVSA-N 461.534 6.262 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)cc1 409821917 TZRWBSLEZYWOQO-QFIPXVFZSA-N 483.337 5.263 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCN(c4ccccc4C#N)CC3)c3cnn(C(C)C)c3n2)cc1 481082412 UDLZVROJNHDJFY-UHFFFAOYSA-N 478.600 5.212 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2F)c1 481692404 XVYRZURLEFPNSA-JOCHJYFZSA-N 472.545 6.255 30 20 JKED C=CCOc1ccccc1CN(C(=O)CSc1nncc2ccccc12)c1ccc2c(c1)OCCO2 485189058 PZNQICQBMABJFZ-UHFFFAOYSA-N 499.592 5.291 30 20 JKED Cc1ccc(-c2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)cc1 486974884 IKLOSLKJUOZDNV-UHFFFAOYSA-N 480.616 5.063 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(F)cc3-c3ccc(Cl)cc3)CC2)c1 491397808 VAAMOACNXMABMR-UHFFFAOYSA-N 476.939 5.900 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)oc12 495361170 XOUQNAGWZFDGIR-LJQANCHMSA-N 456.546 5.717 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C#Cc3ccccc3)c2)cc1[N+](=O)[O-] 498692441 CZEHDRGQLFYFTM-UHFFFAOYSA-N 491.507 5.033 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccccc2CN2CCc3ccccc32)CC1 501138517 XSPGRSAWCXGCJO-UHFFFAOYSA-N 488.595 5.023 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cc(F)ccc1N1CCN(C)CC1 503258202 HBSFRBHVWHJAKR-IBGZPJMESA-N 473.552 5.124 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 507901268 HXJFIPBBJKGSFK-UHFFFAOYSA-N 454.511 5.241 30 20 JKED Cc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1Cc1ccccc1 507907114 DWXZYSWLTVMGRK-UHFFFAOYSA-N 455.543 5.030 30 20 JKED N#Cc1cccc(OC2CCN(c3nc(-c4cccnc4)nc4sc5c(c34)CCC5)CC2)c1 511444463 JXYPCYWGJWGGIG-UHFFFAOYSA-N 453.571 5.161 30 20 JKED C[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 511512466 KZZDIBYSCATSHA-IBGZPJMESA-N 487.991 5.375 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 511878898 ZLSSKSCPPLBQRY-UHFFFAOYSA-N 459.521 5.401 30 20 JKED CCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1-c1cccc(Cl)c1 514559234 VQXQCODPEXQURC-UHFFFAOYSA-N 457.921 5.708 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1c(Cl)cccc1Cl 514768747 OZSIIHJPITVEPX-UHFFFAOYSA-N 497.835 6.124 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(C(=O)Nc2ccccc2)c1 515593446 OJUZVGXWVXNNBM-UHFFFAOYSA-N 461.635 5.037 30 20 JKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 516016779 BFVWJKKCJXJOOK-OAHLLOKOSA-N 468.340 5.815 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 516081575 TVEGHGUSORSTPJ-YADARESESA-N 459.977 5.770 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 516269860 AYBCVBHDRQTQQE-FQEVSTJZSA-N 465.494 5.824 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4ccc(OC)c(OC)c4)n3)n2)cc1 516270460 ZLQCLNQHLFCUHY-KRWDZBQOSA-N 477.567 5.449 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)CC2)c1 517080776 QVYFBUOOBIIXPT-UHFFFAOYSA-N 459.933 5.148 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 518653903 NYPYNQMDRNHVIV-UHFFFAOYSA-N 467.638 5.513 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C 520197316 CFRDORRKQQMWET-MNVSYLFESA-N 476.465 6.448 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl 520198052 YRGQFRAJUHAMEK-JKSUJKDBSA-N 459.974 5.046 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c(C)c2c1 520537704 HJYLZQZBYCBRSM-SANMLTNESA-N 466.537 5.837 30 20 JKED CC(C)c1ccc(CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C2CC2)cc1 520845454 HIQCAABROFUURT-UHFFFAOYSA-N 489.563 5.964 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c2c[nH]c3ccccc23)cc1 520937887 KSIVSPCEMBESBB-XXBNENTESA-N 484.625 6.524 30 20 JKED COc1cc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)ccc1OC1CCCC1 522576534 QWTBPCSQABXWET-GOSISDBHSA-N 460.530 5.551 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 523310984 ZMYSOMKEWFZQFU-UHFFFAOYSA-N 461.568 5.293 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cs2)cc1 603623663 LGIKOIWMIMYYDU-UHFFFAOYSA-N 456.527 5.271 30 20 JKED C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 603758708 BVODIJUPLOGRCY-LAUBAEHRSA-N 459.933 5.138 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1 603875520 QONOSIZUPUXQRS-ZIAGYGMSSA-N 460.374 5.370 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)cc2Cl)cc1 604027111 GELDYCJNRCTRCI-UHFFFAOYSA-N 489.959 5.260 30 20 JKED CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)CC1 604119230 GYUAQTZPKNWPTR-UHFFFAOYSA-N 455.583 5.834 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 604496308 ZLKGDQUWAADNEB-JOCHJYFZSA-N 456.384 5.020 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1 609066972 QBAQCYWPLWVZJL-UHFFFAOYSA-N 486.272 5.427 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)cc2F)c1 609104849 PTRAMKPPDDBODK-UHFFFAOYSA-N 499.399 5.267 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc12 613401527 BRZXNMVMDDDDLO-AWEZNQCLSA-N 481.915 6.284 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 614011940 FQPCPDIKUVVVFP-QGZVFWFLSA-N 463.390 5.487 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(-c3nc(C)no3)ccc2C)nnc1-c1ccc(Cl)cc1 614900605 AGCQLXLVIITVLY-UHFFFAOYSA-N 480.981 5.182 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(Cl)c2)cn1 726116564 GGYBMEUIFOPRFD-JOCHJYFZSA-N 496.036 5.334 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)n2)cc1 726324986 ILGSIDWMKAVLLC-IBGZPJMESA-N 494.523 6.243 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N/[C@H](C)c2cccs2)c1 726421493 QVWSXARATFMQML-IMPGVWCTSA-N 497.617 5.486 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-])c1cccs1 726421939 TVYLQUYQRRGKKJ-CNAVFTNWSA-N 494.598 5.246 30 20 JKED Cc1cc(C)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1C 726570988 BLNMTUBWXJYRBC-UHFFFAOYSA-O 489.064 6.627 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc([N+](=O)[O-])cc2)c1 726571003 BRNQJCKNIQTBLA-UHFFFAOYSA-O 451.915 5.039 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 726754832 SQIUHDSEYUNWQV-UHFFFAOYSA-N 489.362 5.995 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)NC(C)=O 728411473 IBYYSGLBGHPFFM-VQTJNVASSA-N 467.978 5.306 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)c1OC 729432469 IBSVIFGTVVPENO-LJQANCHMSA-N 485.309 5.392 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1C1CCC1 730462077 VSZDXVYLOQZFSQ-IBGZPJMESA-N 461.946 5.001 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944273 VGUNGCQSAJQNSM-CYFREDJKSA-N 487.629 5.178 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730945179 PCZMWEXNBSBWKN-GAJHUEQPSA-N 476.577 5.505 30 20 JKED Cc1cc(Br)ccc1SCC(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731063846 SJVYJYHIUHWBQD-HNNXBMFYSA-N 493.448 5.426 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccco2)C1=O)Nc1cccc(O)c1 731307062 ZZUXFMAVFCIHLH-LJQANCHMSA-N 490.368 5.453 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccccc1F)c1cccs1 731311257 AFDSAYVBSSAEKT-MXGHJUMWSA-N 497.617 5.225 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2C)cc(OC)c1OCc1ccccc1 732765076 IUDYGLKBSBYEAQ-UHFFFAOYSA-N 460.559 5.021 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743449480 PSPROXXFZGNIIW-CQSZACIVSA-N 498.363 6.393 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccccc2OC)n(-c2ccc(OC)cc2)c1=S 745161798 DFTPIGPTBXSECY-UHFFFAOYSA-N 497.624 5.605 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(C2CC2)C1=O 745989233 MRJYJKWMVKEALB-LJQANCHMSA-N 457.983 5.088 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1C 746695042 BDHPBYJFITUVKW-JOCHJYFZSA-N 471.598 5.220 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1cscn1 747603685 TZLIAMLMZUTQTL-HXUWFJFHSA-N 470.664 5.190 30 20 JKED N#Cc1c(SCc2nnc(-c3ccc(Br)s3)o2)nc2c(c1-c1ccco1)CCC2 748095456 FUCXTQOGTMJXSJ-UHFFFAOYSA-N 485.388 5.868 30 20 JKED CCOc1c(OC)cc(/C=C2/CC/C(=C\c3cc(OC)c(OCC)c(OC)c3)C2=O)cc1OC 750901811 XTHYAASRVGODCQ-UHWBUFEVSA-N 468.546 5.348 30 20 JKED COCCCn1c(NN=C(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc2c1=O 750933153 APXKZJCUCAEICK-UHFFFAOYSA-N 486.416 5.307 30 20 JKED CCc1nc2ccccc2n1N=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2OC)c(OC)c1 767373605 KXYDHNJFZDEJEQ-UHFFFAOYSA-N 492.963 5.169 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CC(F)(F)F)C2=O)cc1 799218537 HJVWOHTVFPSMCZ-QGZVFWFLSA-N 483.899 5.065 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)c1 837300886 LOSMJRKAGXBCRX-FQEVSTJZSA-N 469.563 5.056 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C3CC3)CC2)c1 837452746 CMKTWIGZKTVOOC-DEOSSOPVSA-N 494.636 5.030 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 837539877 QNLRLFIOSBVVQK-QVKFZJNVSA-N 482.968 5.596 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(C3CCN(C4CC4)CC3)C2=O)cc1Cl 837550434 YJJNALSHKITWRE-HSZRJFAPSA-N 497.064 5.236 30 20 JKED O=C(COC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1OC(F)F 843414942 HDVKMZDMAOIDEP-WAYWQWQTSA-N 483.311 5.521 30 20 JKED CC(C)Cn1cc([C@H]2N(Cc3cccc(OCc4cccc(C#N)c4)c3)CC23CCOCC3)cn1 849479157 NTCVFQBCGFYXGE-MUUNZHRXSA-N 470.617 5.343 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cc(Cl)ccc3Cl)n2N)c1 913589339 IDISDAPLQYIHQQ-HNNXBMFYSA-N 489.432 5.010 30 20 JKED CCN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@H](C)c1ccc(C#N)cc1 914509638 UPNMYUJXBSRANZ-ZHTGWBIJSA-N 469.657 5.211 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 914520944 RDTZRJRSYTXCFK-UHFFFAOYSA-N 488.540 5.420 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694393 JAFHJBXQNQQKPA-HTAPYJJXSA-N 465.550 5.319 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)CC1 914955946 DLDCKTKTGQAYLM-UHFFFAOYSA-N 494.960 5.543 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1Cl 916057290 NBOOQGSNBMQWRP-IBGZPJMESA-N 460.889 5.244 30 20 JKED COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)cc1 916208923 AKLRXPNFJFDWAS-HSZRJFAPSA-N 495.551 5.176 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2nncc3ccccc23)cc1OC 916541820 JMDYLXXEFVEDKB-UHFFFAOYSA-N 464.529 5.005 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 916906270 PGRZUIRPCXJTRD-NRFANRHFSA-N 456.889 5.279 30 20 JKED Cc1ccccc1-n1ccnc1SCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916907548 JGFRQJPHJQXMHL-OAQYLSRUSA-N 482.565 5.413 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 916913441 QQKVEBLVFSISPN-IBGZPJMESA-N 479.989 5.958 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)cc1Cl 916938887 ORSOIDXOVDZLSF-OLVMAOTFSA-N 457.235 5.382 30 20 JKED CSc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 916975795 FQFUSJQKPVLNOX-DNVCBOLYSA-N 468.003 5.415 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977086 JAYCKJWTMMSHRM-SFHVURJKSA-N 453.951 6.301 30 20 JKED COc1ccc(Cl)cc1N1C[C@@H](C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1=O 917042563 FYOWAOHLJJUVLJ-FZMZJTMJSA-N 493.894 5.206 30 20 JKED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042962 IJGZGQHSWNEEMV-SJLPKXTDSA-N 489.519 5.627 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c(C)c1 917675319 WRARAOITEWKUQM-MZLICYQSSA-N 494.636 5.030 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1F 917675619 RTOWKRXHQLXTSD-OAQYLSRUSA-N 496.495 5.034 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccn3)C2=O)cc1Cl 917703764 BJBZKJXKYROPPT-QFIPXVFZSA-N 489.988 5.076 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@@H]1c1cccc(C#N)c1 917975415 RNBJINOQAPQMAP-AREMUKBSSA-N 484.600 5.917 30 20 JKED COc1ccc(OC)c2c1CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)C[C@H]2O 918052402 IDGIOKKNPBSIPB-HXUWFJFHSA-N 479.920 5.102 30 20 JKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)OCC(=O)Nc1ccccc1SCC#N 919510610 VCGOAMOCNWCIEJ-LBPRGKRZSA-N 455.388 5.272 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 919868321 MWMMCOUCITTWNI-UHFFFAOYSA-N 478.548 5.835 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3ccc(Br)cc3)n2)cc1 920145047 ZWNODMHIHJDFSA-GOSISDBHSA-N 473.417 5.940 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc2c(c1)CCC2 920177364 ZEJWYMHIJNJHJQ-LJQANCHMSA-N 492.428 5.089 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cn(C)nc1-c1cc2ccccc2o1 920362879 NBXXGWDTSFRKNO-UHFFFAOYSA-N 465.538 5.462 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc(-c2c(F)cccc2F)cs1 920804557 VKIPEWWTHLSNGM-CQSZACIVSA-N 471.435 5.831 30 20 JKED C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)c1 920873270 SBZBZGUQAVCEJH-UHFFFAOYSA-N 494.473 5.008 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)C[C@@H]21 1783541668 GHURLASVSMYMAV-HRNNMHKYSA-N 476.617 5.065 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)CCC2)cc1 1786366755 OZRIFDZQMIQWGA-UHFFFAOYSA-N 491.632 5.464 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cc3)CCC2)C1 1787110402 MOQZWWDAZZBDOS-UHFFFAOYSA-N 478.593 5.086 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4cc[nH]c34)cc2)CCC1 1788990938 KYSCNYJLCDKMOL-UHFFFAOYSA-N 498.446 5.597 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CC3)CCC2)cc1 1789578277 MSJRQBLTIHMXMG-STBIYBPSSA-N 475.976 5.218 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)[nH]n4)cc3)CCC2)cc1 1790124668 DRVVAFLDTUFFBI-UHFFFAOYSA-N 475.552 5.204 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)cc(Cl)c4[nH]3)cc2)CCC1 1790908549 FYNDTWIOVVCBSA-UHFFFAOYSA-N 499.796 5.635 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3C)CCC2)cc1 1791243566 UQWVAMXIUOPUCN-OAHLLOKOSA-N 456.384 5.112 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)Cc3ccccc3Cc3ccc(F)cc3)cc2)CCC1 1791479246 XJQOTPSBMFIVQQ-UHFFFAOYSA-N 469.560 5.397 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@]4(F)Cl)cc3)CCC2)cc1C#N 1791674899 CHYLTJSANGRDKF-NLFFAJNJSA-N 469.944 5.018 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)cc3)CCC2)c1 1792155182 FAPYTXKXWCHRAO-FQEVSTJZSA-N 489.579 5.765 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCSC4)cc3)CCC2)cc1C#N 1792285793 MJRMZRAIYMDNSG-HXUWFJFHSA-N 477.630 5.236 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1792495141 DMAVRUSOMFPUJQ-IEMBSSLISA-N 487.644 5.010 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(C(F)(F)F)CC1)c1cc(F)cc(C(F)(F)F)c1 1793924067 XEKORIIKWFBCMY-ZNTSHMBDSA-N 494.451 5.465 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)c(Br)cc1Cl)C2 1798339711 AESHHOSUZKIDDS-QKPAOTATSA-N 483.809 5.262 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)c1 1799146219 RZUPHYSBZNRPQT-ACDBMABISA-N 498.583 5.473 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c1 1801552202 OPZLMAFBQKIPRE-ZFFYZDHPSA-N 464.009 5.212 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@@H]1c1cccnc1 1802500074 WAHWVLIHBAYTBK-HOYKHHGWSA-N 480.559 5.153 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C2(c3ccccc3)CC2)[C@H]1c1cccnc1)c1ccccc1 1802536766 NIQXDQKKUVRCPI-XNFLFYSQSA-N 491.635 5.016 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1803087517 CMRFHEPGQVFSGK-IARZGTGTSA-N 469.629 5.053 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1 1803685489 WTLVGCDMOCGYDR-QLIIJSOBSA-N 470.400 5.495 30 20 JKED CC(C)(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c[nH]1 1804865928 CVDRXQUESFJYAW-ATIYNZHBSA-N 492.740 5.078 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4csc(-c5ccccc5)n4)CC3)C2)c1 1805327310 HKHSVDDGISCXOS-UHFFFAOYSA-N 498.652 5.159 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)Cc3cccc(Br)c3F)C2)CC1 1805654727 SRXOZAFXZRTZPE-UHFFFAOYSA-N 491.445 5.130 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@H]1c1cccnc1)c1ccccc1 1806453617 KETFVLAGJYVFAB-ZDPZMXHYSA-N 498.602 5.242 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1 1808523518 BZLIGDNOFNNJGF-BYJLBXDESA-N 479.741 5.275 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)ccc2F)[C@H]1c1cccnc1)c1ccccc1 1810444729 TYYHIGJAWCWSIH-VBOOUTDYSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1810499690 HFWVGWLWWLNZCN-ZJSXRUAMSA-N 459.590 5.448 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1810501942 FLIZDBMWIDSWPW-WXVAWEFUSA-N 490.623 5.333 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1810503642 UJWQVJZSHVEVQL-BVAGGSTKSA-N 493.623 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1810505500 WLQTUTQYCFNNQL-UGKGYDQZSA-N 474.432 5.700 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3ccncc23)[C@H]1c1cccnc1 1812103767 ZXRLUMVMNVQSEB-RBJSKKJNSA-N 498.703 5.001 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302800 GXWAHODRBAQWED-NTKDMRAZSA-N 489.522 5.512 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1812587739 OUHVIWOJQFINHP-ZJBJCVSYSA-N 468.022 5.482 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1813049788 BJXSVYPJXUFXBC-WNCULLNHSA-N 492.063 5.446 30 20 JKED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2c2cccnc2)CCC1 1814050355 CXLNFEUSBOFFJG-YKSBVNFPSA-N 488.975 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCc3ccccc3F)n[nH]2)c1 1814854220 NMPHDJXFDUFGPY-UQBPGWFLSA-N 487.579 5.505 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1816462954 MJKHTBGZVOIUEK-NRFANRHFSA-N 493.995 5.753 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)noc2-c2ccccc2)n[nH]1 1818142523 SWFZRHXAJQVBQL-QFIPXVFZSA-N 473.577 5.447 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)cs2)n[nH]1 1818152363 SJGIYJKKYXZENP-NVXWUHKLSA-N 477.428 5.308 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)ccc2c1 1818530752 NIFVIYGMDHYVHV-SIBVEZHUSA-N 492.583 5.513 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)[nH]n1 1819307210 QACFKRPYVQIJHN-KNQAVFIVSA-N 459.550 5.139 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1819363598 HQWHYJIUHFSHEZ-WMZOPIPTSA-N 487.025 5.157 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)cc1 1820548408 AQGVSFPAWHLEQR-OAQYLSRUSA-N 473.920 5.301 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 1821086204 FABWTEIATGWNNQ-IBGZPJMESA-N 464.463 5.067 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2F)[nH]n1 1822393204 PYYPNFHEGQWQAX-GOSISDBHSA-N 495.780 5.074 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1822397230 KUUXVVIWYIWQCR-VWLOTQADSA-N 456.590 5.300 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1822579944 MXZVISSCVZNGHP-XMMPIXPASA-N 469.589 5.280 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)c2c1 1823210452 DIYOKUMSFKMWEQ-NIYFSFCBSA-N 494.599 5.375 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)Cc3cccc(Br)c3)CC2)C1 1823703102 NRGSVAKHTBJTLX-CYFREDJKSA-N 487.482 5.214 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 1823751271 PIGNQUHMSVZUKM-QFIPXVFZSA-N 464.606 5.019 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1 1824138030 UMGNFSKBZDHNQR-NDEPHWFRSA-N 477.693 5.291 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 1824141019 PVRKCWGQSQNIRP-OAQYLSRUSA-N 463.544 5.102 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824504828 SMDXMMYAZJYRPO-YKSBVNFPSA-N 494.598 5.239 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1824537135 CJBRNFCSJOHDMS-UNMCSNQZSA-N 462.059 5.009 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2)CC1)c1cccs1 1826503649 YGJNCJQFCDGNHT-NEQMZLFVSA-N 485.049 5.003 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3CSc3ccccc3)CC2)CC1 1826683724 RUDDCYPDEDWDDE-SANMLTNESA-N 487.669 5.516 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827331630 AYKTZDPPFDWPEK-XMMPIXPASA-N 481.587 5.502 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1827509108 MQKLSSKWTBIVPS-RCZVLFRGSA-N 481.040 5.285 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c1 1828010791 CYVNLZDRURURCR-PZGXJGMVSA-N 479.624 6.014 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)CC1 1828602052 OZDKCUVIFGEKLK-KSSFIOAISA-N 495.508 5.215 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CCC(C(=O)OC)(CC2)CC3)CC1 1829066295 AJWYEDMVGWDEHH-XPCYEKABSA-N 486.697 5.112 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1829291955 SRJJRNWWGOQGRY-IDISGSTGSA-N 496.611 5.516 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccn3)nc3ncccc23)CC1 1829600062 XOHQNWGOAGNSFJ-KDYSTLNUSA-N 497.643 5.137 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1829664875 QNDSUFYKUGYUGZ-AZGAKELHSA-N 481.656 5.428 30 20 JKED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1829694516 BVNQKNMBSMBESD-AJTFRIOCSA-N 499.655 5.086 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1830414054 CZWDBGWQOLNFRQ-ATIYNZHBSA-N 490.648 5.091 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2Cl)CC1)c1cccs1 1830570452 ORQWETIKUGGLPI-SQUSKLHYSA-N 489.012 5.213 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1830677981 BOKBACPNJOCPQW-AHWVRZQESA-N 460.622 5.078 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831377247 WUDAAVZNEYIRRI-HRAATJIYSA-N 476.543 5.027 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1)C(F)(F)F 1831452316 AJVSHBCOUSLGRH-QHAWAJNXSA-N 468.947 5.182 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831577181 DURGCXHTSTWBBR-HSZRJFAPSA-N 462.675 5.112 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832628641 ZITVDNVWCFDAGX-YJWVYYLQSA-N 475.658 5.712 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832635752 QWVSHPBRIZYEKC-DQCZWYHMSA-N 482.628 5.488 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)cc1C#N 1832704856 WSTAYDITDLATML-SVEHJYQDSA-N 477.649 5.325 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)CC2)c(Cl)c1 1832984539 SRCMFPVEYZPDGJ-PXDATVDWSA-N 475.967 5.191 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c2ccccc12 1832998174 HKJARTSFDOUWAM-NDEPHWFRSA-N 482.628 5.214 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(Cl)cc(C)nc4c3)CC2)CC1 1838302748 XYLWANPXDLMOOI-GOSISDBHSA-N 484.040 5.021 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)cc1C 10179205 RKHZDSDNBCXLTE-UHFFFAOYSA-O 460.406 5.963 30 20 JKED COc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(C)c3)=C2C)cc1 10358035 VQTASBULWZXIBK-RUZDIDTESA-N 468.582 5.224 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1 11198266 CMKSUIJUGBSAOE-HSZRJFAPSA-N 453.999 5.043 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)nnc1-c1cccc(C)c1 11450590 XRUDTMXODHKKLL-HSZRJFAPSA-N 450.608 5.054 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3C2)nc2sc(-c3ccccc3)c(C)c2c1=O 14300391 QDHCKAGEHUOUJZ-UHFFFAOYSA-N 493.679 5.358 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S 14311322 UDVNTYKOLSBUSM-UHFFFAOYSA-N 453.011 5.473 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1CCC1=CCCCC1)C(=O)NC1(C#N)CCCCC1 15280887 SHBVKXNWNDFVST-IBGZPJMESA-N 464.635 5.110 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16973223 VFNYLNGVCCAMQB-CYBMUJFWSA-N 472.039 5.457 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CC2)cc1 18238685 GJIHNYWOVQZIJW-UHFFFAOYSA-N 495.988 5.043 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1[C@H]1COc2ccccc2O1 21140610 GITAGJCBYDGNAZ-UZUQRXQVSA-N 472.570 5.249 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc2cc(-c3ccccc3)sc2c1=O 21494592 QCCMFHCCJYISTR-KRWDZBQOSA-N 478.643 5.134 30 20 JKED Cc1cccc(C)c1/N=C1\NC(=O)/C(=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)S1 23724238 LYPWNMAIBYJURU-OEAKJJBVSA-N 465.582 5.502 30 20 JKED Cc1ccc2c(c1C)N=C(O)/C2=N\Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl 24035557 RJRMZGFDLGIZNB-UHFFFAOYSA-N 499.936 5.084 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 24380002 ZVJXLBCFWFZEGU-SANMLTNESA-N 469.516 5.174 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc3c(c2)CCCC3)c1C 28695814 VQQFXZSUCJPEIU-UHFFFAOYSA-O 474.650 5.668 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(SCc2cccnc2)cc1 32917804 OKXOUZJUFREOAZ-UHFFFAOYSA-N 498.402 5.424 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 33196085 SFPPACUYANQRJE-UWVGGRQHSA-N 472.788 6.082 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)C(C)(C)c2ccccc21 36849808 XFFRNNOFWFPSAG-NDENLUEZSA-N 455.967 5.275 30 20 JKED CC[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1OC(F)F 71944251 HRNPKMRLWQVJTK-NRFANRHFSA-N 464.472 5.685 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 105240811 ZKYKKKQNBYAYST-UHFFFAOYSA-N 463.342 5.447 30 20 JKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)Cc2ccc(C#N)cc2)cc1OC 105892318 XNFSQOSAIOTIFV-KQWNVCNZSA-N 489.575 5.883 30 20 JKED C=CCN(C(=O)[C@@H](C)OC[C@H]1CCCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 109234242 CCRSBRUODFBUOZ-GDBMZVCRSA-N 455.407 5.610 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc12 303366889 RKDFZUFFLYVNIP-CQSZACIVSA-N 450.564 6.181 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4ccccc4nc3O)s2)c(C(F)(F)F)c1 487289978 IHGXHFQWFNTWOU-UHFFFAOYSA-N 454.433 5.130 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1Cl 491570699 SMHNYAZGWQKYRC-SQJMNOBHSA-N 465.041 6.115 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501441364 GEKAPYORYXQELY-UHFFFAOYSA-N 450.542 5.315 30 20 JKED C=CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc(C(=O)OCC)cs1 501938918 BVQUKDUUYVVDBW-UHFFFAOYSA-N 482.414 5.512 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc(OC)c1OC 502332047 KAPFFDFWBHUIPX-SFHVURJKSA-N 475.545 5.240 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 502682365 WUOSMWQTFKOWSF-UHFFFAOYSA-N 485.401 6.177 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1cccnc1 503711743 ASYMDWBWJZMPOO-LLVKDONJSA-N 468.797 5.606 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 504317123 APFOVHJWLQTYJM-UHFFFAOYSA-N 454.530 5.397 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)cc1 505697989 PFHCGEYLHSBSPX-CQSZACIVSA-N 484.339 5.423 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)cc1 509903578 CESMDEKGSXAIMK-UHFFFAOYSA-N 465.557 5.619 30 20 JKED CC(C)[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1nc2ccccc2[nH]1 510229534 IDECUQBNBMGZJH-GOSISDBHSA-N 463.592 5.097 30 20 JKED N#C[C@@H](C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 510866897 NHNIRTMHCGVPOF-HNNXBMFYSA-N 459.358 5.171 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 513671496 JIIFUNPUHBCWEE-OAQYLSRUSA-N 450.498 5.400 30 20 JKED CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1C 514640823 QYHIVFLXGWJMCT-UHFFFAOYSA-N 493.654 5.442 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2N2CCCC2)nnc1-c1ccc(Cl)cc1Cl 514836085 LJLPSMIBPUTDFT-UHFFFAOYSA-N 488.444 5.769 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1cncc(C(=O)N(CC=C)Cc2ccccc2F)c1 515872755 LKGNUMDWPYEGOX-UHFFFAOYSA-N 461.512 5.017 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 516022016 XUGJETPLOYGVEI-KRWDZBQOSA-N 496.394 5.797 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 516053036 SJXOECUAEFZUPM-UHFFFAOYSA-N 468.582 5.521 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 516279482 DLTPDYGAJSOVFS-XMMPIXPASA-N 462.509 5.201 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c2ccccc12 517454714 FWWQMPIDZKERMF-IBGZPJMESA-N 487.625 5.591 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c3cnn(C(C)C)c3n2)s1 517858030 XRBLPKIXMZAJOW-UHFFFAOYSA-N 485.613 5.604 30 20 JKED CCOc1ccc(CCC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 518164857 GJZKAGKFRRJDFU-FQEVSTJZSA-N 451.636 6.214 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1)c1ccc(C#N)cc1 518674840 OVGXNTKAFQNHJM-AWEZNQCLSA-N 498.764 5.582 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccnc1SCc1cccc(Br)c1 519434133 PFHIXESUKLIVHN-MRXNPFEDSA-N 498.471 6.640 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnc1-c1ccccc1C 520560512 XJMKWBBXEMKGNP-UHFFFAOYSA-N 469.570 5.668 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 520947259 KIEXOBVQMZVQKX-JOCHJYFZSA-N 477.973 5.604 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)cc1 522716356 PHALCOFVKLCDTJ-UHFFFAOYSA-N 478.961 5.213 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)nnn1-c1cccc(Br)c1 524391983 NPTUYMDEHUSZJO-UHFFFAOYSA-N 488.345 5.041 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCNC(=O)Nc1ccc(Br)cc1 556672708 YKMVZXQTHJOULH-UHFFFAOYSA-N 477.362 5.066 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)cc1 589313106 RSUKWGNHHWKTLA-UHFFFAOYSA-N 491.547 6.098 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2)c1 603622136 LSHGXWAQGQFHCD-UHFFFAOYSA-N 494.507 5.024 30 20 JKED CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603765787 ZBZJAFLMDGLWAO-PPXQLYMYSA-N 472.589 5.041 30 20 JKED COCCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nc2cc(Cl)ccc21 603818288 YOSCXXLQKUMXQC-UHFFFAOYSA-N 463.390 5.028 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(C(=O)c4ccsc4)CC3)cc2Cl)cc1 604090390 XNAGZMFZZWKYHO-UHFFFAOYSA-N 480.977 5.445 30 20 JKED CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)s1 604205399 NRLNCVIQJCMRJW-AUUYWEPGSA-N 474.007 5.055 30 20 JKED CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604444020 MITXLLROUBNGTQ-UHFFFAOYSA-N 483.494 5.360 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 608865579 PVFVSEDAUCWIOJ-DEOSSOPVSA-N 495.501 5.752 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 608876236 GUFJAQDCAMQVCA-SFTDATJTSA-N 466.566 6.352 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609059522 PWAPMICKGWGJMQ-IBGZPJMESA-N 457.530 5.306 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3oc4ccccc4c3CSc3ncccn3)cc2)c1 609063551 DEVDRFXFYDWEML-UHFFFAOYSA-N 492.560 6.218 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 609079517 FLGGBKXYYOKCJY-UHFFFAOYSA-N 491.551 5.415 30 20 JKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609123721 LTIKDTCXJNKHMG-HSZRJFAPSA-N 459.521 5.524 30 20 JKED CC(C)(C)Cc1nc2cc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccc2o1 609415652 OCMWQGACHQPQPT-UHFFFAOYSA-N 473.533 5.391 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1 609439736 MXUWYOBSDRSRGH-DLBZAZTESA-N 478.643 5.637 30 20 JKED C=CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 613347298 YMTFYGHYNDYZEM-MRXNPFEDSA-N 459.354 6.180 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 613907315 FWSNJSBSRZLCIC-MRXNPFEDSA-N 491.444 5.662 30 20 JKED O=C(c1ccc(C(F)(F)F)cn1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516493 GOKMYUTVWKNVOT-HNNXBMFYSA-N 472.307 5.352 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 622937261 YWTJTEBLROLJAP-IDCNUPLLSA-N 470.429 5.426 30 20 JKED C=CCc1cc(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc(OC)c1OC 622949867 WFRHSPGGWKTGMA-GJZGRUSLSA-N 468.438 5.141 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 661982323 XDIVNLMBAHAYET-LJQANCHMSA-N 492.645 5.889 30 20 JKED CCOCCCn1c(NN=C(C)c2cc3cc(Br)ccc3o2)nc2ccccc2c1=O 725843575 GJUMOMRSCBRLDA-UHFFFAOYSA-N 483.366 5.168 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)n2)cc1 726321569 JDFJASRTLDNZJB-VNXZQDSDSA-N 463.647 5.940 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)c(C)c(C)c2C)c1 726570997 PZAUBDPQRJVMAT-UHFFFAOYSA-O 463.026 6.365 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2OC)cc1 726571596 YUMZGISRNSCPNG-UHFFFAOYSA-O 493.052 6.735 30 20 JKED CN(CCCN1C(=O)/C(=C/c2cccc(OCCCC#N)c2)SC1=S)c1ccccc1 726801432 IQHCRRAZRPSWPU-PYCFMQQDSA-N 451.617 5.097 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 727995783 DKLQBTOJIVVSRZ-RAXLEYEMSA-N 479.580 5.336 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1ccccn1 728421101 OTBMGWLGSOIKBI-WMZHIEFXSA-N 483.597 5.292 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cocn2)cc1 730715090 BIFWOTXXRURKGD-JOCHJYFZSA-N 480.565 5.317 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730723643 HFCIWEVXNDCGIZ-JOCHJYFZSA-N 490.972 5.642 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 731071196 MQBVDQSLVRUQFT-HNNXBMFYSA-N 483.571 5.092 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)CCCSc1ccc(Br)cc1 731135320 DJOZBCAPSNYISS-GOSISDBHSA-N 455.377 5.703 30 20 JKED CC(C)(C)n1cc(C=Nn2c(S)nnc2COc2ccc(F)cc2)c(-c2ccccc2Cl)n1 731152173 XOBQCNOIPCRHIP-UHFFFAOYSA-N 484.988 5.439 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(F)cc1F 731311081 WAWHYLAELAZEBK-JOCHJYFZSA-N 481.524 5.139 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2cccnc2)n(-c2ccc(OCC)cc2)c1=S 745162544 RDBYMGFYBJUGSJ-UHFFFAOYSA-N 482.613 5.381 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 745949560 CNBXTZZXMWDFHN-FQEVSTJZSA-N 495.670 5.137 30 20 JKED COc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)cc1OCCCC#N 747361491 QDDUAAHYYACPGO-QGOAFFKASA-N 468.966 5.527 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2CCc2nccs2)cc1 747603280 RIPOONSYBCHHIR-QFIPXVFZSA-N 492.670 5.147 30 20 JKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)cn2)cc1 747696908 UFTNWKKQMLULQS-UHFFFAOYSA-N 469.469 5.076 30 20 JKED CCc1nc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)nn1-c1c(Cl)cccc1Cl 749044464 KGWDSRCRPMRWGQ-AWEZNQCLSA-N 466.328 5.132 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 750917477 UVKRENRROVBOND-VMPITWQZSA-N 498.448 7.070 30 20 JKED Cc1sc2ncn(N=Cc3ccccc3OCc3ccccn3)c(=O)c2c1-c1ccccc1 819843073 TXNSUTSRANDTPY-UHFFFAOYSA-N 452.539 5.290 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)c(OC)c1 837301947 MXLRBCHHXXRUAA-NRFANRHFSA-N 499.589 5.065 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3/CCOc4ccc(F)cc4C3=O)cc2OC)cc1 861416380 QOJUNSMBBCLJDC-RGEXLXHISA-N 491.515 5.299 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)s2)cc1 912984136 IGZSXIFKJPOPMR-HSZRJFAPSA-N 496.621 5.648 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086104 HCPDWNRGHSAZEX-AREMUKBSSA-N 473.598 5.077 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CC2CCC2)cc1 915110968 GHVYGQQBHHPBCJ-OAQYLSRUSA-N 488.009 5.118 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2cnc(N3CCCC3)nc2)C(=O)c2ccccc2)c(Cl)c1 915988267 SQBOSLBPCNEBQG-KGENOOAVSA-N 460.965 5.252 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccco3)C2=O)cc1 916212036 QYQCIMMYEUPQSJ-HSZRJFAPSA-N 475.570 5.260 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F 916621798 ITQXNCLUZVHADW-CJTWTEFWSA-N 462.468 5.359 30 20 JKED Cc1csc(SCc2c(C(=O)[C@@H](C#N)c3nc4ccccc4s3)oc3ccccc23)n1 916846037 DZCYNLXYMJMIAA-OAHLLOKOSA-N 461.593 6.590 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@H](C#N)c2ccc3ccccc3n2)[C@@H]1c1ccc(OC)cc1 916848943 QMDDOWFBCLAODP-OBTVHEKISA-N 455.558 5.200 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916924649 ALMGVPVUZLILPO-IBGZPJMESA-N 487.606 5.948 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 916976180 MTKFCKIYNZTWJJ-NRFANRHFSA-N 479.989 5.689 30 20 JKED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)c1ccc(Oc2ccccc2)c(F)c1 917144870 QDEHUNKUZAVLJO-IJDCCNJMSA-N 474.941 5.032 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)ccc1OCc1ccccc1 917517606 JMUMCAFJSZOWDY-ZSOIEALJSA-N 454.526 5.483 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCN(C(C)(C)C)CC2)c1 917669502 REENGCNKYQYKBV-QHCPKHFHSA-N 496.652 5.357 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1ccco1 917699286 GZDJYLJNWODXEE-FQEVSTJZSA-N 482.924 5.104 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3ccccn3)C2=O)cc1 917700558 LHESSJZBGPTWLN-VWLOTQADSA-N 480.593 5.704 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(C[C@H]3CCCO3)C2=O)c1 917701077 RCECDHSRIHNAJC-ILBGXUMGSA-N 487.625 5.596 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N([C@@H](C)c2cc(C)sc2C)C1=O 917701338 OZGINFPSGFMKPU-BTYIYWSLSA-N 451.617 5.347 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C#N 917703573 OXNCBYZYPRJDPH-NYHFZMIOSA-N 494.523 5.021 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704874 YTXMHSFNAMJIHN-UZUQRXQVSA-N 490.560 5.272 30 20 JKED N#CCCN(C(=O)COC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1ccccc1 919411191 YXIDBLQITHNXLD-DEOSSOPVSA-N 493.357 5.059 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(C)nc3cc(Br)ccc23)cc1 919522184 OGHFEQZCRKGUKA-KRWDZBQOSA-N 480.362 5.106 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)c2nc3ccccc3s2)c(OC)c1 920106746 ZOWPNGMPILKGJL-NRFANRHFSA-N 481.577 6.271 30 20 JKED N#C[C@@H](C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 920113687 LKJJKGUHICMZHO-OMQIJLIKSA-N 464.606 5.675 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)c(F)c2)C1=O)Nc1ccccc1F 920353428 JJWLEYOZAREFRU-NRFANRHFSA-N 487.478 5.404 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(Cl)cc2)no1 920354239 BAQUQMICUATBNX-LJQANCHMSA-N 490.919 5.075 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C[C@H]2CCCO[C@@H]2c2ccccc2)C1=O)NC1CC1 920354955 ISUSSVFBEXTRLY-RVSNTGDXSA-N 498.048 5.108 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN=c2sc3ccccc3n2C)cs1 920361507 QOODKDLZCMQROK-UHFFFAOYSA-N 475.521 5.335 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(Br)cccc4c3)C2)C1 1778613720 LTQMQSRYQJJMFF-SANMLTNESA-N 499.449 5.038 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](c1ccc(Cl)cc1)C(C)C)C2 1779263513 NTYWSBBSNBTRHI-HLPJKERBSA-N 487.084 5.362 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)C2)C1 1780065920 RGKDHOCKYFRORB-SSEXGKCCSA-N 485.628 5.042 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCc3ccc(C(F)(F)F)cc3)[C@H]2C1 1784425182 ITBSQIXZHAQYOW-PMVMPFDFSA-N 494.598 5.000 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccnc4Cl)cc3)CCC2)c(Cl)c1 1786772271 DENKSRGASJKVDH-UHFFFAOYSA-N 479.367 5.250 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3csnc3C)cc2)CCC1)c1ccc(O)cc1 1787193397 JUYOUQDWIJTQAM-FQEVSTJZSA-N 473.598 5.102 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C)cc2)CCC1)NC(=O)OC(C)(C)C 1787345186 KBPUMNKCOQWVKY-QFIPXVFZSA-N 495.620 5.504 30 20 JKED Cc1cc(C)nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1788351579 BMMFCJFYKMSXQZ-IBGZPJMESA-N 452.558 5.387 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)cc2)CCC1 1788375612 FCMPIEGWJARGNH-UHFFFAOYSA-N 460.484 5.078 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C)cc2)CCC1 1789209302 LROGREOCVHGPPB-BWAGFHJFSA-N 469.626 5.026 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3nccc(OC)c3OC)cc2)CCC1)c1ccccc1 1790202335 VYFKCRAYXNWFNV-DEOSSOPVSA-N 497.595 5.044 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CC[C@@H]4CNc5ccccc5C4)CCC3)cc2)cc1 1790288602 SHRSPNAJFOXNEF-QFIPXVFZSA-N 478.596 5.371 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)CCC2)cc1 1790567670 OLRRLCZQRDEYOL-SFHVURJKSA-N 493.007 5.745 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790702753 ADOXDNQBWBUBBO-UHFFFAOYSA-N 490.563 5.778 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCN4Cc4ccccc4)CCC3)cc2)cc1 1790708803 XQTGFNACAKPCBL-NDEPHWFRSA-N 492.623 5.165 30 20 JKED C[C@H](Cc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767786 LNVJVLVOJOMHQI-GOSISDBHSA-N 472.976 5.233 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c(Cl)cccc45)cc3)CCC2)c1 1790845105 WOOPNAZYJWQKJY-UHFFFAOYSA-N 499.958 5.158 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)cc2)CCC1 1790990255 KCEKARYHJQRZAA-UHFFFAOYSA-N 482.506 5.294 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4cccc(N(C)C)c4)CCC3)cc2)c1 1792123064 HYUKKBBFDZIQCR-OAQYLSRUSA-N 496.611 5.206 30 20 JKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1)N1CSCSC1 1792124674 CTURCUZIUTWVEX-OALUTQOASA-N 494.686 5.104 30 20 JKED CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792228976 NXQZRPDJYJCWPS-JOCHJYFZSA-N 496.652 5.144 30 20 JKED CCOc1ccc(Cl)cc1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792233396 LFGMMFJDCSKBKO-UHFFFAOYSA-N 451.954 5.180 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1 1793211350 VPZVXFWZDUAWFM-LGJLXVPLSA-N 494.010 5.577 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C2 1793575983 QSWRAOFMHXJRBY-QEIWAGNOSA-N 468.682 5.516 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2ccccc2c1 1796722078 MSWCACBVZZQQCT-CIAFKFPVSA-N 481.434 5.623 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2ccccc2c1 1796722297 WBELIGRIYVUHSI-GEALJGNFSA-N 455.396 5.066 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(-c3ccccc3)cn3ccccc23)c1 1799193088 YDRFYBQSGJLRDW-OOSCYNTBSA-N 488.591 5.352 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(-c4ccccc4)cn4ccccc24)C3)cc1 1799666881 BPTOEYRNXUTQFG-QEIWAGNOSA-N 474.564 5.044 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3ccc(CCCCC)cc3)[C@H]2c2cccnc2)C1 1802405444 CKFITKIKSDGUHN-NYXWNMTLSA-N 471.645 5.500 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@H]1c1cccnc1 1803082622 XBXMJAUTZJDOHK-REWPJTCUSA-N 487.522 5.068 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1803092058 UEXYREOWULPNDX-GGXMVOPNSA-N 495.623 5.962 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1803092659 ZLCHJOBKNHLPKD-NVQXNPDNSA-N 479.596 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3cnc4ccccc4c3)C2)CC1 1805313846 KTDHNCWRAOEBMJ-RUZDIDTESA-N 459.634 5.167 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1808421062 GMUXCWCGBCZRTO-JXMKKRHCSA-N 493.673 5.195 30 20 JKED CC1(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CCCCC1 1810277333 OZLULCLNINCJRP-NOZRDPDXSA-N 467.730 5.109 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)CC1 1810345382 HCGCFJLETTUDCS-GOSISDBHSA-N 478.559 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1810409920 OUEBDPZDMVEYKC-WNCULLNHSA-N 491.607 5.098 30 20 JKED N#CCCC(=O)N1CC[C@H](CNC(=O)CCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814161940 NMURYWHDCUOQBT-OFSOJUDTSA-N 488.676 5.755 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814377872 CAXABMJXBPWWHV-HSZRJFAPSA-N 487.604 5.419 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccnc4ccccc34)n[nH]2)c1Cl 1818443833 DZGPZKSRTWOGLH-QFIPXVFZSA-N 484.947 5.103 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccn(C)c34)n[nH]2)c1 1818726810 FGGUFLVRWXZNLP-UUOWRZLLSA-N 480.572 5.148 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn3ccc(Cl)cc3n2)n[nH]1 1818784376 IVYIGOQKXWIYCL-IBGZPJMESA-N 468.989 5.009 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(Br)ccc3[nH]2)n[nH]1 1818978998 JTFOFFNEZPQEFR-XOBRGWDASA-N 484.398 5.172 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)[nH]n1 1819303443 IQMVAXVVCBCTEN-RDPSFJRHSA-N 459.594 5.203 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1)c1ccccc1 1819520661 OUHOKFJSFYCTBF-HOFKKMOUSA-N 491.595 5.461 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCOc2ccc(C)cc2)[nH]n1 1819552491 NSWJCLLFPCDRBZ-QFIPXVFZSA-N 452.599 5.172 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)no2)n[nH]1 1819794611 JEKIRUQSBUCPRL-JOCHJYFZSA-N 459.550 5.139 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c(Cl)c1 1821280042 NRUICFKLKCCVKA-NRFANRHFSA-N 498.370 5.216 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4c(Cl)cccc34)n[nH]2)cc1 1821543295 NARFESCTPBWRKB-OAQYLSRUSA-N 472.936 5.036 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1821919484 YCENUAYEFIABMP-LIRRHRJNSA-N 466.479 5.015 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821928956 QDJFPMKGLVZUDQ-SCLBCKFNSA-N 452.452 5.086 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(F)cc3)n[nH]2)c1 1822222557 IYJYCERWUQOOMT-HOYKHHGWSA-N 473.552 5.115 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1822392272 XXAWMBKRDHWNSY-FQEVSTJZSA-N 471.483 5.019 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OCC4CC4)cc3)n[nH]2)c1 1823272789 GINRBCVYUFOMCU-AFMDSPMNSA-N 497.599 5.445 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)cc1 1823682928 MZVBQIFZJHLSAB-HSZRJFAPSA-N 499.442 5.126 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3Cl)CC2)C1 1823702357 LVBDIMPXDDULNG-OAQYLSRUSA-N 466.956 5.141 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1823715298 ZINCJPWUCCQWHZ-OFSOJUDTSA-N 474.645 5.125 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1825091557 DEPOBKYLYKIZDH-UKPNKINUSA-N 494.639 5.305 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)CC1 1826236528 UNEZRLPFEAEADJ-JWQCQUIFSA-N 497.680 5.147 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1)c1ccccc1 1826421138 ITCNQCHNTZARGR-IWWXAFGGSA-N 477.649 5.148 30 20 JKED Cc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1826493370 DDBGCZPPSQMART-WXVAWEFUSA-N 457.618 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COCc2ccc(C)c(C)c2)CC1 1828824553 KZQFCQBNIKYWIT-SXOMAYOGSA-N 466.666 5.208 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1828824624 NERBRQYTADHRRK-SIKLNZKXSA-N 486.081 5.951 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1828828731 ROFVPUGNVQAHBP-FPOVZHCZSA-N 466.544 5.609 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)ccc2Cl)CC1 1828830025 PHSLLMPKQHHNFY-XUZZJYLKSA-N 459.030 5.350 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829676525 IKPMHKKYUWJQDJ-DEOSSOPVSA-N 499.533 5.133 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c(C)n1 1829693276 YHJAGOWERBLLRQ-RUZDIDTESA-N 493.051 5.090 30 20 JKED C[C@@]1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CC=CCC1 1830687260 SAAGZFHHTFHKPV-ZEQKJWHPSA-N 498.465 5.300 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccc(Cl)cc1 1830715418 WBVZOPDSJWJFKL-AVRWGWEMSA-N 481.999 5.388 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2onc3ccccc23)CC1)c1ccccc1 1830924588 RBQPQXZQWZFBNE-SHQCIBLASA-N 483.612 5.258 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831233747 CWWNXQYZJZXFLL-WMZHIEFXSA-N 496.639 5.434 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1831374622 RHYACZWLAGIVPN-HYBUGGRVSA-N 483.653 5.479 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831480616 KQKIBGJLZYZJTJ-BIGMCNFVSA-N 470.774 5.484 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cc(O)ccc4n3)CC2)c1 1832631228 BGEXZGNLAZZLFR-MMTVBGGISA-N 496.611 5.115 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnn3-c3ccccc3)CC2)c1 1832632509 SCYKDEWDHVMSJF-WXVAWEFUSA-N 495.627 5.046 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc(C#N)c1Cl)C2)c1ccc(Cl)cc1 1845932734 YBJLPBBURQVWFG-OAQYLSRUSA-N 470.400 5.122 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)CCCCCCCCCCC(=O)OC)C1 1847096157 CMOJQLSPELSYEF-QHCPKHFHSA-N 460.659 5.032 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)C)cc1)[n+]1ccc2c(c1)CCCC2 10174362 GXTOPPQLIUNIID-UHFFFAOYSA-O 457.663 6.590 30 20 JKED C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2scc(-c3cccs3)c2c1=O 11380818 ZPEDPNBMZXJWKN-UHFFFAOYSA-N 483.640 5.495 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16820713 MULXHOBBRULGHG-GFCCVEGCSA-N 490.557 5.659 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2cccs2)nc2scc(-c3cccs3)c2c1=O 16986900 GGIRSCAZHMWKDJ-ZDUSSCGKSA-N 473.670 5.231 30 20 JKED N#Cc1ccc(OCCSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 21341853 POSIXSFEUKGXKB-UHFFFAOYSA-N 478.375 5.135 30 20 JKED COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1-c1ccc(C)cc1 21729658 BBRBGSIPPCQJPW-NRFANRHFSA-N 497.624 5.679 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)nnc1-c1cccc(C)c1 22354275 MYUVAGCKGSXMRX-UHFFFAOYSA-N 451.983 5.132 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 22493117 LPUYFSFCEQBVJT-IBGZPJMESA-N 474.944 5.372 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3sc(-c4cccc(Cl)c4)nc3C)n2)n[nH]c1=S 23041892 QHHJBXJAUHJVRC-UHFFFAOYSA-N 489.051 5.512 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)nnc1-c1ccco1 23202134 WIISWPMQCOMKFI-UHFFFAOYSA-N 491.642 5.385 30 20 JKED C[C@@H](Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1)C(=O)NC1(C#N)CCCCC1 24917656 GWERESAVJIIDFF-GOSISDBHSA-N 496.036 5.323 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)nnc1-c1ccccc1 27329620 JTTDPCFWGCPERJ-UHFFFAOYSA-N 483.597 5.423 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)s2)cc1 36289968 ZHJMTHJXUFDAPV-UHFFFAOYSA-N 466.519 5.265 30 20 JKED COc1cccc(Nc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)s2)c1 45699495 YDXBVSZZNFSFNO-UHFFFAOYSA-N 471.633 5.223 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1csc(-c2ccccc2OC)n1 109907542 GZWGJVBIEAGMLO-UHFFFAOYSA-N 461.356 5.549 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)CCCC3 252629228 UBRDYGLGHCCJIW-UHFFFAOYSA-N 454.895 5.041 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c2ccccc21 255927729 KIBADARMQSBVIM-HXUWFJFHSA-N 489.576 5.107 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 409521770 NNTBSWGQYUHJDH-HNNXBMFYSA-N 489.389 5.331 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)cc2F)c1 409782776 ZQRIVLCCXKVEAJ-UHFFFAOYSA-N 497.864 5.700 30 20 JKED CN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481621554 HNHOABTWZRCICO-UHFFFAOYSA-N 451.473 5.348 30 20 JKED N#Cc1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)ccc1OCC(F)(F)F 481943987 JRNYYVSPICAZTN-UHFFFAOYSA-N 451.351 5.004 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc2c(s1)CCCC2 487008693 GCIDXSTZKJJMMZ-UHFFFAOYSA-N 474.449 5.670 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 488704098 XDZQEPONKUIPBJ-UHFFFAOYSA-N 498.464 5.148 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(CN3CCCC3=O)c2)cc1Cl 500529347 AFGNYKPAVVYUFB-DEOSSOPVSA-N 472.976 5.440 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 503373521 HZAGVTODYGSPCW-UHFFFAOYSA-N 480.277 5.293 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1Cl 504421894 MVNPFNMHHAQUFQ-KXBFYZLASA-N 450.892 5.001 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 505702725 DXVPYJPWCJOLJR-UHFFFAOYSA-N 485.927 5.475 30 20 JKED C=CCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 506011195 ZWKDEWXPBOVTOV-INIZCTEOSA-N 463.563 5.331 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(-c2nc(C)cs2)cc1 506049136 JILOQHKDNNYWBF-UHFFFAOYSA-N 472.364 5.169 30 20 JKED C[C@@H](NC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc(C#N)cc1 509864761 NHJCOJSBHFZYMP-OAHLLOKOSA-N 452.436 5.712 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCCC4)nc(O)c2c1C 511077341 AHIMUXQCDQYNFS-AWEZNQCLSA-N 486.688 5.866 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 512787950 MJMGJWRABUJQIO-CPNJWEJPSA-N 484.537 6.044 30 20 JKED C[C@H]1CN(Cc2ccccc2CNCc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C)O1 513589571 XNWVXQYNEVNNHH-ZRZAMGCNSA-N 455.602 5.036 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 513654575 LZGNJXRGMNEWKI-ZDUSSCGKSA-N 472.551 5.635 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2(c3ccccc3)CCCCC2)CC1 515193231 CKDHOZUGIQSIJN-UHFFFAOYSA-N 458.562 5.041 30 20 JKED CC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 515796415 QRGGAXJLPRSJDY-HSZRJFAPSA-N 457.530 5.376 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)c(OCC(C)C)c(OC)c3)n2)cc1 516713858 KYWNYZJRCTUTQQ-GOSISDBHSA-N 470.978 6.006 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 517277220 BCOUCAYSCKRCRO-IECBHUPTSA-N 498.608 5.340 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 518119200 VHAPGHBMBORNMC-SFHVURJKSA-N 484.581 5.099 30 20 JKED C=CCN(C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 518255185 IKZXHSQFKXVYIY-HXUWFJFHSA-N 496.575 5.396 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 518675921 WUVMOXLHPULZRG-LJQANCHMSA-N 465.619 5.070 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c12 520410208 VKKBOGVQFCYQHN-UHFFFAOYSA-N 464.573 5.171 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)c1C 520815039 UABXZXFHPZEKIE-AWEZNQCLSA-N 469.661 5.881 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)c2)c1 521283660 UDCKACZBNHCOHI-UHFFFAOYSA-N 482.561 5.363 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)CC2)c1 521515193 VRBAKGQBRIMKDU-UHFFFAOYSA-N 477.904 5.596 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1cccc(Cl)c1 521719049 CXNOVRPEVORYPK-OAHLLOKOSA-N 472.039 5.601 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1Cl 523898875 AQENPZLLJVLUIZ-XMMPIXPASA-N 490.966 6.017 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1 523943326 JAWFHIVSHLQJJK-UHFFFAOYSA-N 484.506 5.936 30 20 JKED Cn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c(-c2ccccc2Cl)n1 524680314 WLIUVCTXNREXMD-UHFFFAOYSA-N 460.896 5.583 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 560856663 FRXDEFBGRVVPGQ-YYDVJCTNSA-N 473.598 5.468 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 561118534 DEANHEQEJXJNKL-INIZCTEOSA-N 459.019 5.049 30 20 JKED O=C(Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1)Nc1ccccc1F 590336361 XQHVNVPYUTUDCZ-GASCZTMLSA-N 491.407 5.602 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(CC#N)cc4)o3)c3ccccc3n2)cc1 603597778 ZLYHBFWNQWWSFD-UHFFFAOYSA-N 491.576 6.057 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCc4[nH]c5ccc(Br)cc5c4C3)cn2)cc1 603689779 FIAPNIYCLOGXDQ-UHFFFAOYSA-N 488.345 5.580 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cn2)c1 603692585 MCFZQFFHXCZAMJ-UHFFFAOYSA-N 481.478 5.114 30 20 JKED N#Cc1c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)sc2c1-c1ccccc1CC2 603991959 IODHSYQPWXKPPZ-SFHVURJKSA-N 459.546 5.015 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003893 PVFBDCYVNAGVCT-VWLOTQADSA-N 475.976 5.378 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 604130279 WBXVKFHEQSFVDI-UHFFFAOYSA-N 455.562 5.633 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2)cc1 604156868 XDNAUWDUHWXKND-DEOSSOPVSA-N 496.592 5.244 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)nnc1-c1ccccc1 604548028 GFFQZPXSBRKNTI-SFHVURJKSA-N 484.585 5.706 30 20 JKED CC(C)(C)[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 608919918 NLAQZACLLSIPIK-SOUVJXGZSA-N 478.399 6.565 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(-n4nccc4-c4ccc(F)cc4)cc3)CC2)c1 609185883 VRKWKGSWCSNZOW-UHFFFAOYSA-N 466.516 5.234 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)c1 609382580 IPVQHUXTUAPCBB-SFHVURJKSA-N 479.627 5.608 30 20 JKED COc1ccc(NC(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1OC 609386991 CDTQZIARFZRUQK-ZDUSSCGKSA-N 453.486 5.167 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 609431099 RDKOQHIXGQGZBL-AVRDEDQJSA-N 484.581 6.210 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 609435279 BVZKHNSSFAOOLY-DLBZAZTESA-N 473.440 5.491 30 20 JKED C=CCN(C(=O)CCc1ccc(Cl)s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 611777953 WESHYNHKWRKYRN-UHFFFAOYSA-N 467.037 5.080 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c12 613319868 NTKWXDSJPAXDME-KRWDZBQOSA-N 490.013 6.272 30 20 JKED C=CCn1c(SCC(=O)NCc2sccc2C)nc2sc(-c3ccccc3)cc2c1=O 613900215 JBPHGRBUGHZNLQ-UHFFFAOYSA-N 467.641 5.089 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2CC(F)(F)F)c1 726410008 GCLPGJIZMUBJED-QGZVFWFLSA-N 499.436 5.209 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCCOC)c1 726412461 OLCDETMNMXKHBX-HSZRJFAPSA-N 498.048 5.407 30 20 JKED CCOc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1 726570187 WBYJDFZQDGFWSP-UHFFFAOYSA-O 476.622 5.177 30 20 JKED COc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1O 726627008 NSXKDMGWONIQND-FZSIALSZSA-N 481.780 5.094 30 20 JKED N#CCSc1ccccc1C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 726785272 GLSOGMQRIULXKY-RUZDIDTESA-N 462.018 5.503 30 20 JKED Cn1c(SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnc1-c1cccs1 726858325 IDYQKKIDAPWZEN-LLVKDONJSA-N 479.534 5.141 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 727355420 RFLMYLYLNAVZGC-ZRDIBKRKSA-N 470.348 5.229 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3ccc(F)cc3)cc2)cs1 727685304 IECWXZJDRABMGD-LFIBNONCSA-N 486.568 6.750 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nc(C(C)(C)C)ns2)ccc1Cl 727721459 SYXPGHDQAWMIHA-UHFFFAOYSA-N 491.038 5.123 30 20 JKED N#CCOc1cccc(/C=C2\CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)O)c1 727744075 BSVJJGJPNWXYBM-PXLXIMEGSA-N 461.521 5.392 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CCCCC#N)C1=O 728776879 FURWXESSUQPVIZ-OAQYLSRUSA-N 485.009 5.311 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCCCC#N 728779434 ZTOCDWBKQYVYKZ-OAQYLSRUSA-N 469.010 5.611 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1C#N 728780653 WFAPMHGOHAMNDP-FQEVSTJZSA-N 483.956 5.005 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cc(F)ccc2F)C1=O)Nc1ccccc1F 729634246 JUEJNGNRGHRRFJ-OAQYLSRUSA-N 469.488 5.264 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C1CCC1)c1cccs1 730461472 CSBOBUCHAJSCBS-MYMCDOCLSA-N 493.010 5.252 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730686754 IWWRQSGYNOIHJO-GOSISDBHSA-N 492.413 5.509 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 730688098 RQDHAKQDMJDBCR-UGSOOPFHSA-N 456.424 5.230 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 731068230 WQYDSWCDWIXDME-OAHLLOKOSA-N 464.568 5.497 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 731077796 KKDXDQCRCWTWIB-LJQANCHMSA-N 487.581 5.010 30 20 JKED C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)-c1ccccc1C2)C(=O)Nc1sc2c(c1C#N)CCC2 746633842 ISVITUIAVOKABK-INIZCTEOSA-N 484.577 5.213 30 20 JKED N#CCCN(C(=O)COC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 747258240 KAGBAEGAHZVINA-UHFFFAOYSA-N 474.369 5.149 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C(C)=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 771743654 NIHIALNXIOAOEP-FQEVSTJZSA-N 476.385 5.404 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CC(F)(F)F 799212873 LRHQVNJHFDHGAZ-INIZCTEOSA-N 473.879 5.310 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(CC(F)(F)F)C1=O 799223724 UPAMUKBTECILHA-IBGZPJMESA-N 497.514 5.446 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C 912828306 DXUFQGSDMBHXCY-UHFFFAOYSA-N 464.422 5.254 30 20 JKED C=CCn1c(SCC(=O)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)nnc1-c1ccc(Cl)cc1 914445116 OMXQCWFECOETBY-ZDUSSCGKSA-N 471.941 5.311 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 914689836 BCEPVNBJBLIVLM-QVKFZJNVSA-N 469.513 5.149 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)s2)cc1OC 915085715 APWXOHYMOBOERO-JOCHJYFZSA-N 469.566 6.044 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)n2)cc1 915100393 PUHDVEYYQICWOZ-AZUAARDMSA-N 495.551 5.449 30 20 JKED Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1NC(=O)c1ccccc1F 915515019 KJXZLRAVLTVPMQ-OAHLLOKOSA-N 479.895 5.096 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(C)C)C1=O 916204986 LRMXHLLJWUBTDS-LJQANCHMSA-N 463.962 5.104 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)c(Cl)c1 916205504 OXPAPWGMNQLIMQ-IBGZPJMESA-N 463.962 5.248 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(C[C@H]2CCCO2)C1=O 916208059 SEPHBWKGIWDWLB-HYBUGGRVSA-N 495.645 5.232 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CC3)C2=O)cc1Cl 916211388 NLKYTRBMWHSNBI-SFHVURJKSA-N 495.935 5.073 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccc(C)cc2)c1 916212420 MWAAOCINJPAQPX-DEOSSOPVSA-N 489.597 5.173 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccccc1Br)C(=O)Nc1ccccc1Oc1ccccc1 916906109 BRPHISCZDXMMJO-IBGZPJMESA-N 493.357 5.748 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1nccn1-c1cc(C)cc(C)c1 916906825 KCEZKBMDBJXQJJ-QFIPXVFZSA-N 460.603 5.054 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 916907816 NNIYLNCODYGHSZ-KGXYIWNSSA-N 463.002 6.554 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(NC(=O)c2cccs2)c1 916926950 AAIHKPXMYJSDAP-HNNXBMFYSA-N 458.326 5.268 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1OC 916934096 FLHSSTOOZFIEET-MRXNPFEDSA-N 485.359 5.156 30 20 JKED C[C@H](NC(=O)OCc1ccccc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997077 QCSNEZZIOKEKEV-SUMWQHHRSA-N 474.369 5.608 30 20 JKED COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1c(C)noc1C 917024938 DCDGFWIDBORRDR-FKVRIVCVSA-N 485.565 5.892 30 20 JKED N#C[C@@H](C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1nc(-c2ccccc2)cs1 917027278 ZYWIWQAGQJOJAL-IBGZPJMESA-N 468.563 5.125 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)cs1 917562315 DWPJCFJQUGPHES-MTJSOVHGSA-N 462.600 5.645 30 20 JKED CC(=O)Nc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)c1 917674306 MDSWVXQCUNEPQO-DEOSSOPVSA-N 486.597 5.114 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccsc3)C2=O)cc1 917683010 PGZXSCITMZWTIM-QFIPXVFZSA-N 477.611 5.420 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)cc1 917683456 XEPITGCCDNUYRD-QHCPKHFHSA-N 472.545 5.166 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)o1 917703614 NSYWGUUFKGFEFZ-GQOCTPOGSA-N 484.581 5.435 30 20 JKED CCOC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1cn(CCC#N)nc1-c1ccccc1 918079524 VOHXBTVZHPOCSC-RUZDIDTESA-N 487.535 5.019 30 20 JKED C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 918209792 IGXJMDBDGKQGDE-ZLVKTETGSA-N 499.471 5.148 30 20 JKED C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 919191143 CTSGKYALLPDEJM-KRWDZBQOSA-N 477.448 5.018 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)Cc1csc(-c2cc(Br)cs2)n1 920104418 QTCYHVSNFRVCCH-OAHLLOKOSA-N 484.400 5.558 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 920109549 HVJUWLUPMCCKNA-ROUUACIJSA-N 456.354 5.346 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(NC(=O)c4cc5ccccc5o4)cc3)n2)cc1 920111360 UKOVZJZTCCAIJD-QHCPKHFHSA-N 491.572 6.536 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c1 920354419 CLWXAMBGTKPTEX-QFIPXVFZSA-N 480.565 5.153 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)cc1 920355200 JCCIAPQGIZIURG-HSZRJFAPSA-N 476.602 5.323 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 920868294 JOUNOACKBVWWDP-XOBRGWDASA-N 477.989 5.030 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 920870355 SMYVFCZDAUHNLJ-JLTOFOAXSA-N 477.989 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2ccc(F)cc2)C1 1780189179 PDDKSUPYKQDUHN-FUFSCUOVSA-N 493.623 5.008 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCCN4Cc4ccccc4)CCC3)cc2)C1 1785808198 ZIZCPDQXTBDZKZ-SANMLTNESA-N 457.618 5.141 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(=O)c5ccccc5o4)cc3)CCC2)c1Cl 1786001783 PFRYVHYSHXQHKA-UHFFFAOYSA-N 497.938 5.380 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1786676611 YYNJADMYDQANTL-UHFFFAOYSA-N 453.995 5.488 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5c(Cl)cccn45)cc3)CCC2)c1 1788388465 XRVAVTZHKMDPOG-SFHVURJKSA-N 497.986 5.676 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)C[C@@H]21 1788736819 ZRLFXRJCNOBBAA-OYDLWJJNSA-N 487.084 5.124 30 20 JKED Cc1ccc(SCC(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)cc1 1789110995 UKCZRRRELDPUFK-UHFFFAOYSA-N 485.609 5.172 30 20 JKED COc1ccc(OCC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cc1 1790083117 PGERWIBLLCXVQR-UHFFFAOYSA-N 489.959 5.047 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3c(F)cccc3F)cc2)CCC1 1790324173 JAKMFEQSOZQYNP-VAWYXSNFSA-N 480.536 5.142 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CCC1 1790740894 RSKUOBWMWXNSAY-HXUWFJFHSA-N 492.579 5.016 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cc4ccoc4cn3)cc2)CCC1)c1ccc(O)cc1 1790834775 SYMGBVBFECUGIM-OAQYLSRUSA-N 493.563 5.478 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(OC)ccc4o3)CCC2)cc1 1791298644 LSCFOSJFFWDORE-UHFFFAOYSA-N 454.473 5.401 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)CCC2)cc1 1791574252 IEQSYKDVJDVUSG-OAHLLOKOSA-N 467.541 5.093 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3(C)CCC(NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1791584323 YNLHBZWHRBIEOC-UHFFFAOYSA-N 495.664 5.398 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccn(C(C)(C)C)n4)CCC3)cc2)c1 1792122484 BDOSYDFCCLFFQH-IBGZPJMESA-N 469.589 5.327 30 20 JKED COc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c1 1792124684 DCOWEKPIFCAKPQ-IBGZPJMESA-N 453.542 5.384 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn3cc(C(F)(F)F)cc(Cl)c3n1)C2 1792573765 RZHOTLJDYSTRAD-BJWYYQGGSA-N 496.961 5.251 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2)c1ccc(Cl)cc1 1793222515 AHSMBMMURVPHRV-QIEDNPPQSA-N 478.036 5.659 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(-c3ccccc3)noc1C)C2)c1ccccc1 1798555291 SGLUKGNQSXXNFB-XDZVQPMWSA-N 481.596 5.099 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1Cl 1802729744 JOKUXMLSZJXMCM-OZXSUGGESA-N 496.127 5.414 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1802742041 JTUALHVCADHWJL-GJZUVCINSA-N 496.127 5.414 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1803079771 PJXLYKVOYYCRGF-KXSDPGGVSA-N 468.601 5.051 30 20 JKED C[C@H](C(=O)N1CCCC2(CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)C1)c1ccc(Cl)cc1 1805193303 WNDNOFWWKJKBBA-YXBWYFRISA-N 485.049 5.175 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1805454940 MIMLYOLJKDJJLH-UHFFFAOYSA-N 481.036 6.213 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)C1 1805457769 QFXHGPIGLAMZPJ-UHFFFAOYSA-N 466.519 5.458 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1806682973 DDALJUQMEGZNKW-DHLKQENFSA-N 468.041 5.366 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810107695 LJOKEAGGSCSAAX-QTGUNEKASA-N 469.676 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1810272898 TVEFFEWPTKPOEL-UOTZPRLLSA-N 479.741 5.275 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810602651 VAKNRJNWUQABGQ-MBSDFSHPSA-N 473.951 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810957366 ZHHYGYHDNGVJDV-PWHSHALESA-N 489.513 5.328 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1811749111 LTGKLZIJZIFRLC-HWZPKBPFSA-N 479.024 5.143 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)[C@@H]1c1cccnc1 1812591373 GFOXNASKQYHRRA-CTIGNXTNSA-N 492.019 5.429 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1812592358 UCYOLWFXQSREPX-VAXXYWNWSA-N 472.614 5.081 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1 1813220589 LVXLIKRQMCNILO-SHQCIBLASA-N 491.701 5.217 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc(-c3cccnc3)n2)n[nH]1 1818149589 GULYOQYWFPOUOL-GHTZIAJQSA-N 476.606 5.003 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3ccc(Br)cc23)n[nH]1 1818664477 VATMJEJDJGWFDQ-VLIAUNLRSA-N 484.398 5.172 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)[nH]n1 1819309497 CNAPNDHHGIZOSC-WESRHKKESA-N 466.557 5.031 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2coc(C(C)C)n2)[nH]n1)c1ccccc1 1819515853 CBHNFQRFDPCINF-NZQKXSOJSA-N 473.577 5.024 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)nc3)n[nH]2)c1 1820036323 BULRZPRXVYWZBT-VWLOTQADSA-N 494.530 5.102 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2OCc2ccccc2)n[nH]1 1820237594 POIUFYBVZSCOIN-HRAATJIYSA-N 499.036 5.266 30 20 JKED Cc1cccc(Cl)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1821143017 JSNIBRWTGRAVOM-DOJUMQAQSA-N 482.993 5.178 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5c(ccc6ncccc65)s4)sc3C2)C1 1821182060 IDMVUQKKLKQSNH-OAHLLOKOSA-N 474.611 5.098 30 20 JKED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)[nH]n1 1821877603 DIIKYFJTGMVFPS-OAQYLSRUSA-N 482.462 5.160 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)n[nH]2)C1 1823308234 AZPKJAOHMQYMDU-SFHVURJKSA-N 466.891 5.354 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3cc([C@@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)[nH]n3)c[nH]c2c1 1823562366 YBSPMCLRXKQEII-QSWPLXARSA-N 492.583 5.019 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3cccc(C)c3)CC2)C1 1823700316 QXPYGQRMOZXGKN-AREMUKBSSA-N 457.618 5.257 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(Br)nc2C)CC1 1823752608 WPTPLBLIJQGQLQ-GOSISDBHSA-N 496.515 5.440 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1823813216 SVMRNWZHDKDSQP-XMMPIXPASA-N 489.616 5.388 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2F)CC1 1823930860 SMXWMRHZOUNGOE-QFIPXVFZSA-N 477.418 5.015 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSc3ccc(F)cc3F)CC2)cc1 1824445169 KDLIBEZFYKXWBA-DEOSSOPVSA-N 497.611 5.056 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)c2O1 1827515563 GRXGVQTVJKQZPW-SANMLTNESA-N 485.628 5.209 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827682766 KYTKAQFACDPTNX-YAOQVBECSA-N 498.765 5.158 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1827854567 KGSIWLNOYGANFI-OAQYLSRUSA-N 473.495 5.026 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)c(Cl)c1 1828418546 HSHQKTYQUUFCLA-XUZZJYLKSA-N 495.973 5.363 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828509748 OUQJLJKEYJOOEP-VWLOTQADSA-N 469.576 5.448 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1828827797 VGLLQAFFMFESAO-GGAORHGYSA-N 499.652 5.628 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)ccc2[nH]1 1828906768 GPNSOWGSWYIELR-MHZLTWQESA-N 491.752 5.761 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2cccnc2)CC1)c1ccccc1 1829035987 YLAAIIWMFOLXFA-FQLXRVMXSA-N 485.672 5.221 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3)CC2)cc(C(F)(F)F)c1 1829876351 QYCQASIUBNPTBP-QHCPKHFHSA-N 469.507 5.124 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)cc1 1829892684 GPDLICBRWDYVFT-VWLOTQADSA-N 464.009 5.078 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274496 CTUJBUUXQKMDFG-XUZZJYLKSA-N 481.040 5.165 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2Cl)CC1 1830531999 MSWKCBFDEZVZIZ-OAQYLSRUSA-N 497.836 5.278 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978978 YOCXZRNJHPJUMB-DEOSSOPVSA-N 457.574 5.075 30 20 JKED COc1cc(Cl)ccc1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1831242429 AYCAPBYNNDWROU-VWLOTQADSA-N 494.035 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2OC)CC1 1831304205 SFKNMFBNGYZUFT-RUZDIDTESA-N 484.681 5.249 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1)C(F)(F)F 1831451270 QLFMANBZGOGQHC-QHCPKHFHSA-N 471.523 5.100 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1)C(F)(F)F 1831453159 UDVZHQZJIGBNLB-FVTFTPSCSA-N 454.577 5.331 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1831737670 KFZPJTVNUCJWEX-LOSJGSFVSA-N 482.665 5.025 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831852245 XOTKZYLRRKHVRM-XMMPIXPASA-N 455.042 5.185 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1832029670 LMEJGOZLFRERHA-VWLOTQADSA-N 485.628 5.855 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)CC1 1836696602 KKAQNWNMLZRTFM-UHFFFAOYSA-N 484.040 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C1 1844696348 YDBSGXFLEYSXSY-UHFFFAOYSA-N 458.883 5.083 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc4c2oc2ccccc24)C3)c(Cl)c1 1845488911 OJYQJFAJXFCGNV-UHFFFAOYSA-N 469.928 5.242 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(CC)cc2)cc1 11252204 PTSOZIALEYAWHB-UHFFFAOYSA-O 461.607 5.381 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 15225696 UPCIJMUUWBFCBU-NTCAYCPXSA-N 471.563 5.512 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 21237759 FUYAPCDIDYNFOG-CQSZACIVSA-N 495.407 5.459 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cc(C)ccc2C)cc1 22729733 MGDYNFOXGZOOQS-UHFFFAOYSA-O 467.605 6.824 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(-c3ccccc3)n2)n(C2CCCCC2)c1C 24424151 ACSXAMGRTSGHFV-UHFFFAOYSA-N 476.602 5.330 30 20 JKED O=C(CCOc1ccccc1-c1ccccc1)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1 24846155 ZESMRKOGCCWTNL-UHFFFAOYSA-N 491.613 5.012 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccco1 28504435 PZOFUGLYSYOCIE-KRWDZBQOSA-N 462.575 5.025 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1 31747941 PPXWNSXZPGKCLZ-UHFFFAOYSA-N 486.597 5.087 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nnc1-c1ccncc1 33471066 LAYHHSDJDMTTLC-UHFFFAOYSA-N 476.631 5.576 30 20 JKED COc1ccc(-c2nnc(Sc3cc(C)c(C#N)c4nc5ccccc5n34)n2C[C@H]2CCCO2)cc1 71835723 FWRDRMCQVCWXQM-HXUWFJFHSA-N 496.596 5.265 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102044613 IEVKIYCHBZONOX-LQCYPSJASA-N 499.656 5.140 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(I)cc1Cl 106245417 IILOTFOXXXEQNL-UHFFFAOYSA-N 458.686 5.736 30 20 JKED N#CCc1ccc(NC(=O)CNc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1 107658796 PSHGTXMEPIWGEO-UHFFFAOYSA-N 470.426 5.213 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(NN=C(C)c2ccc3c(c2)Nc2ccccc2S3)nc1 254703389 SZKKLYYYNCCNJR-UHFFFAOYSA-N 467.620 5.156 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c(C)c1 255142754 OSDSSWGSBRWNNU-DEOSSOPVSA-N 472.614 5.476 30 20 JKED Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 409563780 ZGSMJPJMSJTGEK-UHFFFAOYSA-N 461.521 5.950 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN1c1ncnc2sccc12 483421133 ZYCWZNKOANAPPP-JOCHJYFZSA-N 455.543 5.271 30 20 JKED COc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccccc2C#N)c2ccccc2)cc1Br 485442190 SHYWHMRSJQKWFD-HJPURHCSSA-N 465.347 5.002 30 20 JKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1Cl 489284540 BMTUQNLFAXBYSK-QGZVFWFLSA-N 477.948 5.651 30 20 JKED N#Cc1c(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)sc2c1CCCC2 498293136 RTKRTAGZLWUHOW-UHFFFAOYSA-N 496.312 5.113 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)CC2)c1 501737767 YSTZUGAVKXXYTA-UHFFFAOYSA-N 494.526 5.510 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 502680067 QDXMCSFVPOFPNY-UHFFFAOYSA-N 480.765 5.589 30 20 JKED N#C[C@H](C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1nc(-c2ccccc2)cs1 502690291 AQAVVYCQEMQPJO-HSZRJFAPSA-N 499.617 5.442 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 505691332 DZHXMPGKDKJNJQ-UHFFFAOYSA-N 475.451 5.864 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(Sc3ccccn3)cc2)cc1 508979426 OSUPXFABXUJJHL-UHFFFAOYSA-N 451.551 6.130 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 509598050 DUMGTJQUPRKOOJ-UHFFFAOYSA-N 468.307 5.206 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1 510748420 PIZVDKBNVJXHOP-XMMPIXPASA-N 467.013 5.113 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 510989002 XSGUMXSBSPSPKI-UHFFFAOYSA-N 460.481 5.318 30 20 JKED Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 511337839 BPLNQMZSLAPUEM-UHFFFAOYSA-N 474.992 5.648 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OCC 511462209 KJTWGILECXZGKU-GOSISDBHSA-N 472.545 5.491 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 511613008 WJZNVTLRYSDKJG-UHFFFAOYSA-N 462.937 5.717 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 513269987 YGFRHVQFBIHHGM-HXUWFJFHSA-N 471.488 6.029 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515799870 DPOSCJPMBGIROA-UHFFFAOYSA-N 473.920 5.707 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 517849812 KCXWPVMXKDWXOJ-JOCHJYFZSA-N 488.956 5.305 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)nc2ccccc21 518175770 HBZCWKJMEFCBAS-IBGZPJMESA-N 473.330 5.078 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 518660797 BIWLUITXWCQBIY-AWEZNQCLSA-N 473.429 6.229 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 519515355 DUWXDOFSOODJPN-ZDUSSCGKSA-N 462.427 6.692 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)n2)cc1 522851420 HQVMFAIUTAAYOW-UHFFFAOYSA-N 454.540 5.243 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1 523215943 LMSWSMWVCOKSFZ-UHFFFAOYSA-N 477.520 5.203 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 523461112 HEJLQGKTGIQXLF-UHFFFAOYSA-N 479.558 5.145 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1C 524390771 BPBDUGHWCFEJTJ-UHFFFAOYSA-N 458.468 5.470 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 524707563 XGDGRRCPZXRQHD-SHQCIBLASA-N 499.014 5.799 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc3C#N)nc(O)c2c1C 565321519 UNNBSNAJLKWRHH-GOSISDBHSA-N 488.638 5.741 30 20 JKED Cc1cccc(-n2c(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)nnc2-c2ccccc2)c1 578309901 PQNXKTPGSORSKO-FQEVSTJZSA-N 499.665 6.368 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3cccc(C#Cc4cccs4)c3)nc(O)c2c1C 599807932 XLKFIQMHGFSLEF-MRXNPFEDSA-N 479.652 5.735 30 20 JKED CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)Nc3sc(C)c(C)c3C#N)c2)cc1 603444695 XLDLGQALHMVLLK-UHFFFAOYSA-N 483.615 5.021 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)c2)c1 603995645 QFVMEMQUEULJLJ-UHFFFAOYSA-N 456.502 5.254 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 608795609 WXOHENNJODKGQD-UHFFFAOYSA-N 484.339 5.263 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 608915038 DOUSKPWYHSKEIY-UHFFFAOYSA-N 476.602 5.216 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1csc2ccccc12 609085295 BKVXLJPZJUFQCU-UHFFFAOYSA-N 469.566 5.258 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(OC(F)F)c1 609086273 QTXZMRQRLGDNGN-OAHLLOKOSA-N 499.901 5.208 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)c2)cc1 609209749 KURLJHSYYRPZRX-UHFFFAOYSA-N 462.500 5.415 30 20 JKED COC1CCN(C(C)(C)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 609355449 BPUDKKIDBBTRHF-UHFFFAOYSA-N 456.974 5.015 30 20 JKED Cc1cc([C@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(C)s1 609401188 ZJWMGELFDJRIOA-LBPRGKRZSA-N 455.527 5.205 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)n1 609405810 FOTJLEWVLUOWTQ-AWEZNQCLSA-N 456.955 5.082 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc2cc(C(F)(F)F)ccc2s1 613404384 LICDVKFFVXGWTO-AWEZNQCLSA-N 488.441 5.758 30 20 JKED N#C[C@@H](C(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 613405332 YOSMZVGWJVFOQG-INIZCTEOSA-N 452.461 5.868 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)nnc1-c1ccoc1C 613908268 SRBUXOVCZYFKHH-FQEVSTJZSA-N 456.587 5.557 30 20 JKED CN(Cc1nc(C(F)(F)F)cs1)C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 622407554 YHBQBNGGLCAVEX-UHFFFAOYSA-N 466.325 5.237 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 622453232 BCDAISCLNQTTPR-LLVKDONJSA-N 492.420 5.525 30 20 JKED C=CCN(C(=O)CSc1nnc2n1CCCCC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 623045276 CSTNWVAKYCIZJZ-UHFFFAOYSA-N 494.473 5.746 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(Cl)cc1 726396489 FFMHINVNXQZGMI-UZLBHIALSA-N 459.999 5.034 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 726396585 FSEKRYMWOTXBTK-YJYMSZOUSA-N 481.952 5.004 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2cccs2)cc1F 726409716 CIOWMAUIGNPEGD-OAQYLSRUSA-N 483.590 5.099 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(CC2CC2)CC1)c1cccs1 726421879 QFXUZQYQKTWDQB-YSEZWBPPSA-N 496.702 5.012 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726423135 ZODYZAPTZVSZEF-OVZBCHHNSA-N 492.601 5.349 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1Cl 726888834 CHZFYYLVELIPKP-FQEVSTJZSA-N 487.940 5.241 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2cccc(O)c2)cc1Cl 726963741 ZFDRQTVLXAUIMP-UHFFFAOYSA-O 499.012 5.071 30 20 JKED COc1ccc2c(C)c(CCC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c(=O)oc2c1 727751808 UZBVGIUYNZLPJD-AREMUKBSSA-N 482.536 5.003 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)c2)cc1 728668136 NMJRBHUYTFJKMA-UHFFFAOYSA-N 475.810 5.213 30 20 JKED O=C1/C(=C\c2cccnc2Cl)CN(C(=O)c2ccccc2Cl)C/C1=C\c1cccnc1Cl 728698387 IWHMIBHYYFHRRK-MJZABRMRSA-N 484.770 5.629 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1scnc1C 729143828 RLPUVETYERZGKL-IBGZPJMESA-N 464.616 5.229 30 20 JKED N#C[C@H](C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 729187246 WXCPINIYNUBDSW-MJGOQNOKSA-N 488.421 5.508 30 20 JKED COc1ccc(-c2nnc(SCc3ccc(OCC#N)cc3)n2CCc2ccccc2)cc1 729242384 TWMIIVSBLJNUNX-UHFFFAOYSA-N 456.571 5.391 30 20 JKED Cc1occc1-c1nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c(=S)n1-c1ccccc1 729467004 GLLAZZHWGACSIC-UHFFFAOYSA-N 471.586 5.344 30 20 JKED CN(C[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1)C(=O)OC(C)(C)C 729571320 UEDGTACKQBMIRH-HXUWFJFHSA-N 464.566 5.461 30 20 JKED CN(C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1)C(=O)OC(C)(C)C 729572036 RJRUVWANAWOKLA-IBGZPJMESA-N 450.539 5.071 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 729572364 ZNHQGCWKPILMJJ-UHFFFAOYSA-N 450.539 5.119 30 20 JKED C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)N1CCC[C@H]1c1cccs1 730605591 GKKTYYQVOKXQDJ-IERDGZPVSA-N 464.518 5.460 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cocn3)C2=O)cc1Cl 730719756 CLFCCPLDMGVXGI-IBGZPJMESA-N 490.919 5.075 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1 730944206 SQJQEPQRASUTCA-YCRPNKLZSA-N 466.513 5.081 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCOCC2CC2)C1=O)Nc1ccccc1C(F)(F)F 730944787 ZXAQOZCPBGHTRH-HXUWFJFHSA-N 491.535 5.092 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(Cc2ccccc2)ccc1O 731077037 JLUWTDCRBXUOST-SFHVURJKSA-N 460.555 5.173 30 20 JKED CC(=O)c1cccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 745313034 ITAOBVNRSJAORN-ACJLOTCBSA-N 459.354 5.963 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1 746696522 OOXURNHDUHZWFG-HSZRJFAPSA-N 467.635 5.389 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCOC(C)(C)C 746697932 PZSXVVDZBYJWBV-NRFANRHFSA-N 471.598 5.164 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCOC2CCCC2)c1 747043835 MQNNALVBUJLKOK-HSZRJFAPSA-N 499.608 5.144 30 20 JKED C[C@@H](NC(=O)CC1CCCCC1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 750398922 WOLSXTDEFDRFLX-DYVFJYSZSA-N 464.418 5.768 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)c1 799216037 SCYVWPXOXPVIFT-INIZCTEOSA-N 455.889 5.171 30 20 JKED CCOc1ccccc1Nc1nnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)s1 808484942 LXHWECKVWUIVLY-INIZCTEOSA-N 493.639 5.772 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837448751 MFJWLCWEVLVJRE-WMZHIEFXSA-N 458.587 5.420 30 20 JKED N#Cc1ccc(OCc2ccc(-c3nc(-c4ccc(-n5cnc6ccccc65)nc4)no3)o2)cc1 904487634 AFZDIFIYKLVUSG-UHFFFAOYSA-N 460.453 5.181 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101219 DIVLKKLYPZDBMW-TZIWHRDSSA-N 479.989 5.343 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNC(=S)Nc2cccc(C)c2C)cs1 915912350 QXUUGDDJXSNWRB-UHFFFAOYSA-N 491.564 5.784 30 20 JKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nc(C)c(SCC#N)s3)[C@H]2c2cccs2)cc1 916088331 FUWZBKLTHPRHCB-XLIONFOSSA-N 482.656 5.560 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccncc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 916136749 ZAYJGAHHFWNIQX-VURMDHGXSA-N 470.447 5.413 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1cccc(C(F)(F)F)c1 916217142 GHZBJNGRNUGDIW-LJQANCHMSA-N 495.523 5.093 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 916283892 ZESULYBUYOLXOI-UHFFFAOYSA-N 490.815 5.200 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847976 XQRQBUMJSPVCOZ-NHYWBVRUSA-N 488.432 5.395 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(Cl)cc4)cc3)o2)c1 916883130 OSHFNOCBYHHKTL-OAQYLSRUSA-N 456.889 5.327 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1 916953815 WAPKWWJWLFDIEN-LJQANCHMSA-N 464.934 5.019 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 916955613 SHKUPMQJKMHGGT-DFBJGRDBSA-N 478.552 6.187 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccccc5)cs4)cc3)ccc12 917026356 YVDXRTWAQFXVIE-XMMPIXPASA-N 492.556 6.294 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)cc1 917036850 PFFFEURBPXDXIQ-XMMPIXPASA-N 458.583 5.243 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)nc(O)c2c1C 917043350 HRLJKXCIXJOTJK-DGCLKSJQSA-N 489.047 5.775 30 20 JKED N#C[C@H](C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1nc2cc(Cl)ccc2s1 917045076 WSJFBDYTBOMAIB-GFCCVEGCSA-N 482.999 5.326 30 20 JKED CCOc1cccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc3ccccc23)c1 917652471 DDNSOBZCCSVDJX-DEOSSOPVSA-N 473.598 5.039 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccccc2SCc2cccs2)c1 917691210 CPSHBRKTANGLPY-LVWGJNHUSA-N 485.656 5.106 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2C#N)cc1 917704451 VNBRJSWEUZZOCS-VWLOTQADSA-N 498.608 5.174 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 917711524 AXUVPEMFIIWSFK-DVECYGJZSA-N 472.614 5.927 30 20 JKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 917931315 LWXUYLRDECPNPY-NRFANRHFSA-N 454.574 5.567 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1 918034224 KEHDPHLXXFIIJN-MHZLTWQESA-N 478.527 6.055 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 918128398 UAOGUZPYOOTCQV-GGAORHGYSA-N 456.521 5.364 30 20 JKED N#CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 920003050 UFZGUFDAAJAENH-UHFFFAOYSA-N 457.383 5.251 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 920107542 DAJUUYDPSXSCAV-PIGZYNQJSA-N 498.338 5.009 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cc(C)on3)C2=O)c1 920354285 BXULYHQSABEEQC-OAQYLSRUSA-N 482.993 5.414 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)o2)cc1 920804095 LGKQYAHRYUZYNL-AWEZNQCLSA-N 484.509 5.115 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2cnn(-c3ccc(F)cc3)c2C)cs1 920991459 JHHIUGPNEHTTEQ-JYRVWZFOSA-N 460.534 5.665 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3cccc(Cl)c3)n2)c1 926103022 IQGROFVCWYJOJE-KRWDZBQOSA-N 467.978 5.573 30 20 JKED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)C2)C1 1780170963 OWRBVKICKRWNHE-NIYFSFCBSA-N 492.582 5.409 30 20 JKED Cc1cccc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)n1 1785825821 TVQFTGFCSPJFNT-ACCUITESSA-N 470.960 5.376 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)c1 1786036272 YSFRKBJHYATVGU-UHFFFAOYSA-N 465.544 5.450 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4sccc4s3)CCC2)cc1 1786367079 YOBGTIZKVRESDK-UHFFFAOYSA-N 454.617 5.693 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)NC1(c2ccc(NC(=O)CSc3ccncc3)cc2)CCC1 1786765296 CNAUXWOQZMZOKU-UHFFFAOYSA-N 476.001 5.013 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)nc4sc5ccccc5n34)cc2)CCC1 1788339634 YSCSSGTZSMRJJX-UHFFFAOYSA-N 498.530 5.892 30 20 JKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)ccc2s1 1789048337 LDYWVRDCZQANJL-UHFFFAOYSA-N 466.566 5.538 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Br)cccc4n3)cc2)CCC1 1789367311 FNBBTZZLKLTTEX-UHFFFAOYSA-N 476.374 5.158 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4Cl)cc3)CCC2)c1 1789704147 HDEVBNOIHLCJSY-UHFFFAOYSA-N 465.340 5.322 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(OC)nc(C(F)(F)F)c3)cc2)CCC1 1790043865 YIGVNPMTPGSYOP-UHFFFAOYSA-N 483.437 5.068 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)ccc4OC(C)=O)cc3)CCC2)C1 1790045570 VYWNAVLKMBOBKJ-UHFFFAOYSA-N 497.389 5.088 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(Br)c3F)cc2)CCC1 1790626928 LHHXAVMBMPDZAD-OAHLLOKOSA-N 490.373 5.137 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)n[nH]1 1790767612 AUFOJZBNRJHZTB-UHFFFAOYSA-N 461.953 5.120 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)cc2)CCC1 1791438583 OHZMJHBBHDCXSU-ZTOMLWHTSA-N 471.601 5.023 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)CCC2)cc1 1791579900 QBOJRTAOYFQVLJ-GKCIPKSASA-N 473.436 5.005 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4Cc5ccccc5CN4C)CCC3)cc2)c1 1792122460 AQXLZRRLBQWEHZ-PIKZIKFNSA-N 492.623 5.118 30 20 JKED COc1c(Cl)ccnc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124692 DKDNQRQTHYDPRG-KRWDZBQOSA-N 488.975 5.432 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)cc1Cl 1792142817 DMYGKWZARKKYDZ-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204273 VEEVSXGGDWXSIE-IYJBSMEOSA-N 493.604 5.286 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CC=C)CCC2)cc1)NC(=O)OC(C)(C)C 1792205153 PJMYKVJKDMLKBB-UGKGYDQZSA-N 469.626 5.192 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792236819 ZTPOEGRAZZOAGF-HXUWFJFHSA-N 485.609 5.252 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CC3(F)F)cc2)CCC1)NC(=O)OC(C)(C)C 1792250505 APHPADZBIIZCFD-NTKDMRAZSA-N 491.579 5.025 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(F)cc1C(F)(F)F)C2 1792569890 KFHQIHISMOKIHK-REPLKXPHSA-N 454.508 5.018 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 1798420605 VVHOYPLEDATLRI-HUUMMWPTSA-N 471.117 5.133 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCCC(=O)OC(C)(C)C)c1 1800209156 NOTUJGDXAPHCMY-ZBCONREDSA-N 495.664 5.248 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1)[C@@H]1CC=CCC1 1803042123 BUFLTYSYWWVZEX-POLDFPFKSA-N 489.619 5.157 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)COc2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1803422177 DRIDLTBCXMDNGZ-AZGAKELHSA-N 477.649 5.084 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)ccc2C(F)(F)F)c1 1803871167 DYAWRMCRVJVDKU-GAZPGATBSA-N 473.470 5.037 30 20 JKED CC#C[C@@H](CC(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1)c1ccc(O)cc1 1808536494 LFYCOXPJEJNOQM-KPTQJSJOSA-N 499.655 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808544369 TXWJKSVTGATRET-BXTSTYNKSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1809671090 CDLNGYXZVFIWNN-SBJAYZTMSA-N 477.008 5.123 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1810175028 VTDAVZPQBDWJFU-UWUFEASWSA-N 477.605 5.523 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c(Cl)c1 1811753950 YBLDDLCBJACRMA-HFZDXXHNSA-N 484.987 5.117 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811786721 IHOMYSUOMAHZBS-UZUQRXQVSA-N 476.379 5.041 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1 1811796831 RCVGVQKCKBRLMJ-RSXGOPAZSA-N 460.622 5.269 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1812787889 BDJBGEYPFSRDOG-GCMXZSHTSA-N 486.660 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1813838122 WVCWSCYJPHHQKU-NZQKXSOJSA-N 454.014 5.355 30 20 JKED Cc1cc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)cc2s1 1813868460 OBQWINCFODSCND-VJBLKOIQSA-N 497.624 5.193 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)[nH]n2)C1 1814396806 KCCAJKAJCWJDFG-VWLOTQADSA-N 479.584 5.602 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)sc2c1 1814737005 SPAMOUIEAAKVIZ-JOCHJYFZSA-N 498.612 5.138 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815215637 KZPSUIFSMIVPOX-CVDCTZTESA-N 474.561 5.099 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1815653293 CJNPUBVXVPHLSC-JOCHJYFZSA-N 475.618 5.005 30 20 JKED CC1=CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CC1 1818807562 FOLOHGYEKOBMTB-KKSFZXQISA-N 496.409 5.096 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@H](S)C(C)C)[nH]n3)cc2n1 1818970201 GVPYOWLULTWAGG-RBBKRZOGSA-N 486.041 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[nH]n1 1819307326 FPZMXXZRSXEATI-XXBNENTESA-N 493.011 5.528 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)[nH]n2)cc1 1819356353 MEKHSXFKUVKLDE-RQOTYCFOSA-N 485.613 5.131 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(Cl)n2)n[nH]1 1819967264 FDENTABQVZDKKG-SFHVURJKSA-N 462.381 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820316542 KRAIBKDUUCTDPA-QPPBQGQZSA-N 487.579 5.685 30 20 JKED CCn1nc(C(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1820353368 VGKLVESSPGEBCL-JOCHJYFZSA-N 496.732 5.107 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)[nH]n2)CC1 1820978652 RVNAZJKSNPLJDS-QFIPXVFZSA-N 487.608 5.070 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)[nH]n2)cc1 1821180492 WCAUYTCVCLZIQH-QYOMTGNWSA-N 473.621 5.388 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)[nH]n2)c(Cl)c1 1821274930 SSJHRAOZUDAUTG-DEOSSOPVSA-N 498.974 5.032 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)cc12 1821277816 KAJBMNBUKJZFAI-QHCPKHFHSA-N 486.963 5.344 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1)C(F)(F)F 1821994090 QYKDHQXNCONZGI-INIZCTEOSA-N 488.869 5.025 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)[nH]n1 1822399391 ZKAOPPCTICLQSP-HXUWFJFHSA-N 467.367 5.207 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)[nH]n1)c1ccc(O)cc1 1822468605 CCPXWDOOLXXQDC-MEUOBDGXSA-N 496.611 5.108 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823210529 CUVXWQROHBVBRS-IIBYNOLFSA-N 476.968 5.013 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(C)c1 1823214321 BKHWHIROLSSMTA-QFQXNSOFSA-N 498.631 5.462 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(F)c3F)n[nH]2)c1 1823226104 QJIARVNDGPHMGC-LHSJRXKWSA-N 481.478 5.074 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)c1F 1823291337 RUEFFNUHCSQMSA-JOCHJYFZSA-N 489.551 5.136 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[nH]n1 1823421303 WNEJUBUFHQJXRX-OZXSUGGESA-N 476.527 5.327 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(-c4cnco4)c3)sc2C1 1823502162 YQVBAFVTYNJFFE-GOSISDBHSA-N 464.591 5.016 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3C)CC2)c(C#N)c1 1823916537 TWTOQOYHDDDQBF-SANMLTNESA-N 494.035 5.005 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1824050924 NNDJYAJQRKGWIT-MHZLTWQESA-N 493.598 5.022 30 20 JKED O=C(c1cc2sccc2[nH]1)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056783 IDRSGTSTZYZIEO-QHCPKHFHSA-N 480.033 5.168 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1827332954 MKKBVGUZWFMEKT-FCFFNXBQSA-N 498.627 5.002 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827352403 RPUOZMOGEWZACS-UKILVPOCSA-N 483.653 5.075 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1828415190 MLXNVCTUEYXTKN-OZXSUGGESA-N 489.582 5.028 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 1828823391 FXIOEESMJCUFAE-WIYYLYMNSA-N 464.437 5.390 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 1828827025 QMTONTWJRPLNAY-FPOVZHCZSA-N 464.437 5.390 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1828879414 JAXOTUWRUDPVEM-ABFIKHOGSA-N 473.642 5.406 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)cn2)CC1 1828906360 IATRQZYCNSNKKZ-QHCPKHFHSA-N 474.121 5.019 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sccc3Cl)CC2)c1Cl 1829689309 AHJZUSVNOWTHGI-IBGZPJMESA-N 476.429 5.474 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1830017339 XFPGDGVLESHMEV-VWLOTQADSA-N 494.035 5.546 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830054807 ZQHIOMZEMAMOES-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)CC1 1830097450 UFUGVDWJFMVARB-XMMPIXPASA-N 474.668 5.249 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)ccc1Br 1830119734 DFOCCAONEHQLSB-DEOSSOPVSA-N 494.433 5.176 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1830131164 WBSOUBSHRBXOOZ-JOCHJYFZSA-N 476.702 5.357 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)c(Cl)c1 1830722019 YXBWHOOFPIVLDG-QFIPXVFZSA-N 481.021 5.302 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nscc23)CC1)c1cccs1 1830971935 NKAWPYGSQWORNY-DGSRBQDKSA-N 493.654 5.030 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1831447562 YOCYOAYBQVGKRG-HSZRJFAPSA-N 495.570 5.873 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1)C(F)(F)F 1831752861 VFRFCYXMZPHPQE-YADHBBJMSA-N 468.535 5.304 30 20 JKED Cc1csc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633376 BOSROEACWMXNAH-HFZDXXHNSA-N 477.674 5.550 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)CC1 1832672416 BQKUCLPYIULIGV-DNQXCXABSA-N 459.030 5.350 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1847532769 XNYXBEDQOBZUNP-GOTSBHOMSA-N 459.615 5.480 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)nnc2-c2ccncc2)cc1 10731748 QXKVNZSFSWEYRI-INIZCTEOSA-N 474.977 5.282 30 20 JKED CCOc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(OC)c3)=C2C)cc1 11207031 SUTNTBXZYPVJPB-SANMLTNESA-N 498.608 5.314 30 20 JKED Cc1nc(NN=C2C(=O)Nc3cccc(Br)c32)c2cc(-c3ccccc3)sc2n1 17649772 ZTZLNGKDIWKFCV-UHFFFAOYSA-N 464.348 5.198 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nc2sc3c(c2c1=O)CCC3 17652966 ROFLYFJDMSTXSC-CQSZACIVSA-N 450.589 5.344 30 20 JKED C=CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 17652991 CEJTYSJABKZNEL-NRFANRHFSA-N 461.612 5.233 30 20 JKED CCCN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(Cc2ccccc2)cc1 22803399 NWGJMAYSHYZPBB-UHFFFAOYSA-O 458.434 5.810 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccoc1C 23518982 ARPRFMXKDUIGNX-HNNXBMFYSA-N 450.520 5.101 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)nnc1-c1ccc(Cl)cc1 24435870 PPEMLBKAZIEIPU-OAQYLSRUSA-N 485.009 5.073 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCOc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 28665589 WTMMTNRALMXWRR-GOSISDBHSA-N 475.401 5.170 30 20 JKED C[C@@H](NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C#N)cc1 33179027 DAJGDRNJOTVKDB-CQSZACIVSA-N 471.460 6.127 30 20 JKED Cc1oc2nc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)nc(NC(=O)c3ccccc3)c2c1C 39553945 RSWWFESTSBBEDJ-INIZCTEOSA-N 471.542 5.083 30 20 JKED N#CCCn1cc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)c2ccccc21 104564305 NPAQPDSXROISBN-UHFFFAOYSA-N 482.540 5.368 30 20 JKED N#CCCCOc1cccc(/C=C2/CSC/C(=C/c3cccc(OCCCC#N)c3)C2=O)c1 207595896 KJZGYYDDPGAJQY-MPKYGIEOSA-N 458.583 5.835 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 302959817 PYFISRYRBVUZRI-OAHLLOKOSA-N 467.959 6.169 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(F)cccc1Oc1ccccc1 410036888 ISSHJCVFTCZYGR-UHFFFAOYSA-N 485.309 5.668 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(OCc5cccc(C#N)c5)c(F)c4)CC3)c2c1 481572943 MDURNOWEEDWENB-UHFFFAOYSA-N 498.558 6.178 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4)c3)c2)cc1 484668913 MQZPSHYDWQXWBI-UHFFFAOYSA-N 469.522 5.404 30 20 JKED COCc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)oc2ccccc12 487451017 ROCXJGRYVHGZSU-UHFFFAOYSA-N 471.460 5.769 30 20 JKED COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 487694162 YDYJFNOMMZLFEB-ISKFKSNPSA-N 487.987 5.176 30 20 JKED COc1cc(C(=O)N(CCC#N)Cc2ccco2)ccc1OCc1ccc(Cl)cc1Cl 490397798 KWWLSSMGSZQZLV-UHFFFAOYSA-N 459.329 5.730 30 20 JKED Cc1ccc([C@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)N2CCCC2)cc1 490685597 RQXKACZFYJMELB-SANMLTNESA-N 467.573 5.078 30 20 JKED CC1CCN(C[C@H]2CCCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)CC1 491550399 KCCRWQQVSOGPRK-RUZDIDTESA-N 460.622 5.307 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c(C(F)(F)F)c1 499586947 DOEYWWXMIYZVAD-CYBMUJFWSA-N 475.540 5.699 30 20 JKED CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc21 500115198 SDRXTIMRJANVPW-UHFFFAOYSA-N 482.609 5.785 30 20 JKED Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)cc1 500921216 WDFFTGHKJWUPRO-UHFFFAOYSA-N 470.573 5.006 30 20 JKED C=CCc1cc(C(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)cc(OC)c1OC 504760447 RQVXXAVQJOMWAU-UHFFFAOYSA-N 498.929 5.594 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)CC1 508503794 KJMUQMATWNGCKR-QHCPKHFHSA-N 456.546 5.091 30 20 JKED Cc1cc(Sc2ccccc2)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 510270655 NNGWQFMMPNMQEP-UHFFFAOYSA-N 491.638 5.057 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(Br)cc2)cc1 510596147 AZFMFKBGTNPFAT-QGZVFWFLSA-N 456.384 5.016 30 20 JKED COc1ccc(-n2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)n2)cc1 510641582 SHPBDQVLOZHANU-DEOSSOPVSA-N 471.948 5.511 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1 513210057 IZWSZEAEGMFKFF-NRFANRHFSA-N 476.458 5.511 30 20 JKED COc1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1Br 514026689 JYDPEFNCFSGBRZ-KRWDZBQOSA-N 496.380 5.941 30 20 JKED C=CCN(C(=O)CSc1ccc(C(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 514561785 FTSRFSHRGQWFQO-UHFFFAOYSA-N 486.684 5.648 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)n1 514705609 YKFSOHRWXPERNM-UHFFFAOYSA-N 493.397 5.291 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCCc3ccccc32)C(C)C)nnc1[C@@H]1COc2ccccc2O1 515182994 QDCPLLMBEVHNDY-ZEQRLZLVSA-N 490.629 5.073 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Br)cc1 515911039 BUGOBLQRHJKQQG-VFNWGFHPSA-N 496.792 5.574 30 20 JKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(OCC(F)(F)F)cc1 517875307 ZYCCXQLEPUKIDB-ZDUSSCGKSA-N 493.536 5.526 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1C#N 518166308 WBEOMRPWVQKHTC-UHFFFAOYSA-N 452.555 5.463 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)n1 518670979 RCIWJEKVZGKUOM-OAHLLOKOSA-N 484.990 5.231 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(Cl)cc1 518674643 DDESAMUICGNIMD-MRXNPFEDSA-N 469.916 5.571 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 518912436 KNRWVUHMJPAXAE-UHFFFAOYSA-N 477.484 5.168 30 20 JKED COc1cc(Cl)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1Cl 519397342 BAYYISCVSPGIOJ-UHFFFAOYSA-N 485.336 5.827 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 521725272 BFYWDULKYOTFIL-SFHVURJKSA-N 469.566 6.118 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCc2ccc(Br)s2)cc1 523618601 NQTHHDASJFHVGT-UHFFFAOYSA-N 472.383 5.476 30 20 JKED C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524424614 CRFUEYDLIPAEIZ-INIZCTEOSA-N 482.367 5.602 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)c4c(c3)OCCO4)cc2F)c1 524458728 DCUFQAFHDCTYJE-UHFFFAOYSA-N 483.293 5.062 30 20 JKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)cc1OC 524566673 YCVYEMHILDFGSU-WMZHIEFXSA-N 475.614 6.061 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1)c1ccccc1 591862244 LPRMCJPBDYTEDF-IBGZPJMESA-N 473.504 5.855 30 20 JKED C=CCN(C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 596276862 GWZPUSJILFLLAS-WOJBJXKFSA-N 490.608 5.012 30 20 JKED C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1)c1ccccc1 603624125 SATSQOKBVFTQRE-LJQANCHMSA-N 498.564 5.037 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 603757597 QQAUAVYTIIHVKX-UHFFFAOYSA-N 462.347 5.755 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)s2)c(C(F)(F)F)c1 603757720 IZWFBHQMCQZKEO-ZIAGYGMSSA-N 461.431 5.932 30 20 JKED Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603962196 KTPNNZCCWYZIRN-XMMPIXPASA-N 467.956 6.016 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCSCc2ccccc2F)cc1Cl 604135562 RGEZIGJMVGXZNT-OAQYLSRUSA-N 481.980 5.123 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3cccs3)C3CC3)cc2Cl)cc1 604137444 HDSLLJSTNNAFNU-OAQYLSRUSA-N 451.935 5.271 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(CN3CCCCCC3)CC2)cc1 604562104 IOIMRGPYRACATG-UHFFFAOYSA-N 462.594 5.479 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)c1c(F)cccc1F 608932609 QLJVZJHRHVOUSB-KUHUBIRLSA-N 459.562 5.255 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)CC1 609049623 PAFYUDSITJQCAV-UHFFFAOYSA-N 498.518 5.257 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@H]3C(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 609061889 ZOJIPXIWWVPKJC-QFIPXVFZSA-N 498.366 5.670 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(OC)cc1 609080891 WJKJFRVILVCIHC-QHCPKHFHSA-N 493.947 5.225 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N(Cc3ccc(Cl)cc3)C3CC3)cc2Cl)c1 609086736 AGBYDUSYWXLQSQ-UHFFFAOYSA-N 494.378 5.574 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 609377806 GQHMRPIUDWLJRK-UHFFFAOYSA-N 474.483 5.777 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2ccc(F)c(F)c2)n1 609389316 MFMAVGAFBMUKGY-CQSZACIVSA-N 459.543 5.886 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CCOCC1 609436772 GMGICUUYEYPAJK-INIZCTEOSA-N 474.424 5.671 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1 609439739 MXUWYOBSDRSRGH-SJORKVTESA-N 478.643 5.637 30 20 JKED N#C[C@@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccc(F)cc1 609600482 HQPVWFYSDFCPGR-ZAVKOYKVSA-N 472.501 5.655 30 20 JKED CC(C)(C)n1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C1CC1 613344215 AUFHLFPHCVCIOI-OAHLLOKOSA-N 459.402 6.436 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccn(-c2ccc(F)cc2)n1 616335352 HVICCBYTNOMRCL-UHFFFAOYSA-N 477.336 5.146 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 619321966 LGQSEFADTZJQKS-HOTGVXAUSA-N 477.449 5.532 30 20 JKED CCc1sc(-c2nnc(CSc3nc4ccccc4c(=O)n3-c3ccc(C#N)cc3)o2)cc1C 619562168 XFVUUHHHCJEMCS-UHFFFAOYSA-N 485.594 5.532 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 677560201 JZBLRCMWLBYSGZ-DQEYMECFSA-N 498.608 5.126 30 20 JKED O=C(C[C@H]1S/C(=N/CCc2ccccn2)N(C2CCCC2)C1=O)Nc1ccc2ccccc2c1 726115575 QYECCJNYJIVDOT-VDZPOYGUSA-N 472.614 5.049 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 726393159 MVXWTXCZOIMTNF-XMSQKQJNSA-N 471.598 5.136 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(CC[C@@H](C)OC)C1=O 726399718 NREHBEZRRBCJJM-JPYJTQIMSA-N 483.634 5.204 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C#N)c(Cl)c1 726405401 FAVVBFCNVDYMLS-IBGZPJMESA-N 491.400 5.244 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCOC(C)(C)C)c1cccs1 726422772 YSABSSPCEIHZJT-JMDMOJCNSA-N 477.627 5.092 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)o1 726530221 RPDMSENZDCTIAX-UHFFFAOYSA-N 472.888 5.283 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cc2ccccc2o1 726570506 BSXCQGLXWKRONR-UHFFFAOYSA-O 460.966 6.131 30 20 JKED CCOc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(CC)cc2)cc1 726571341 UGFVVRRYSSNHMW-UHFFFAOYSA-O 464.998 5.784 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@@H]3c3ccccc3C(F)(F)F)nc12 728050281 RFGJAPBGXOXBRF-LJQANCHMSA-N 485.535 5.180 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H](c1ccccc1)N1CCOC1=O 728235610 VLWVBACEWNBLJU-RUZDIDTESA-N 457.505 5.123 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccc(C)s1 728424555 DMDMBZFZNMJZOW-JOCHJYFZSA-N 490.610 5.097 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n(Cc2ccco2)c1C 728667849 CTEDDNIPYKARLE-UHFFFAOYSA-N 494.507 5.077 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1CCCCC#N 728776252 NLFSRZVKDJUXIQ-QFIPXVFZSA-N 477.634 5.024 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 728777177 JHILFXZHANPDTB-IBGZPJMESA-N 476.936 5.272 30 20 JKED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccccc1Sc1ccccc1 729768931 PTVUAOVFDJMPKY-SFHVURJKSA-N 455.539 5.500 30 20 JKED CCc1cccc(C)c1NC(=S)NN=Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 730575551 QYNNVVKFKSNAGE-UHFFFAOYSA-N 467.620 5.028 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 730945349 QJGOJBHKRNIQFB-UBGULTHHSA-N 482.606 5.433 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1 731067136 WRKIXLHBTJCNMZ-QGZVFWFLSA-N 474.542 5.855 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 731130885 VEVXYBODZTZGAK-SHQCIBLASA-N 462.553 5.516 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1 731166760 YMLHHGQEPNILIG-HHHXNRCGSA-N 466.562 5.568 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Br)c1 732785463 ZPSNFVIRGQBNDL-QGZVFWFLSA-N 482.350 5.098 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(CCOC(C)(C)C)C1=O 746695472 GOLKEQHHGDQCCN-QFIPXVFZSA-N 483.634 5.087 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 746697015 YOSIYZQHCCFTIS-IBGZPJMESA-N 477.989 5.255 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccc(F)cc2)n1 748036611 PXFJBJTVBAXFKM-JOCHJYFZSA-N 492.576 5.007 30 20 JKED CSc1ccc2c(c1)CC/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O 748148745 XDTZHJAGAWAGQJ-OQLLNIDSSA-N 456.539 6.040 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)c1C#N 792734225 XLLPJHIKTMDBJH-UHFFFAOYSA-N 455.536 5.084 30 20 JKED N#Cc1cccc(/C=C(/Cl)c2nc(O)c3c(-c4ccc(Br)cc4)csc3n2)c1 834789223 AZUFJPVNGBUGEJ-RQZCQDPDSA-N 468.763 6.435 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@H](C)c2ccccn2)cc1 837839282 UGHAHMZAOWUKMM-VGSWGCGISA-N 489.557 5.020 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)cc1 838033366 NAONSNRQLXHCGQ-FQEVSTJZSA-N 469.563 5.056 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccc1F 838518606 CPFNRNYTDQFZLM-JOCHJYFZSA-N 499.514 5.273 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(CCc2cccs2)C(=S)N[C@@H]1c1cccc(C#N)c1 840325309 CRWGRFYTWYAWTD-XMMPIXPASA-N 488.638 5.015 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 857832244 NGIQVOHKKSGMJQ-LLVKDONJSA-N 457.964 5.069 30 20 JKED N#Cc1ccc(Oc2ccc(-c3nc(-c4cccc(Cn5cnc6ccccc65)c4)no3)cc2)nc1 904494046 WDLUHQLLVVZFBH-UHFFFAOYSA-N 470.492 5.861 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(COc3cccc(Br)c3C#N)n2)c1 904635926 SYQUFAXRJCWWQE-UHFFFAOYSA-N 471.311 5.297 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(-c2nc(-c3ccc(F)cn3)no2)ccc1Cl 904934407 NONYSGGRANQQQY-UHFFFAOYSA-N 488.903 5.112 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 914538244 LNPJAJBYRWFKNM-NZQKXSOJSA-N 472.614 5.098 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914544683 ZOFRXAJYKPGFDZ-RBBKRZOGSA-N 471.985 5.231 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914601330 NBMKOZOXEGLZOW-XMMPIXPASA-N 491.588 5.523 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N([C@@H](C)c2cc(C)sc2C)C1=O 914691823 TYAOXRNBVCOUMV-UGSOOPFHSA-N 450.029 5.156 30 20 JKED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1ccc(SC2CCCC2)cc1 914703487 SAVSMIUZBPHZDT-QXPKXGMISA-N 465.040 5.135 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc(F)c2)C1=O 914772661 JSHKJTLAWWHHMG-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1ccc(C(=O)N(C)c2ccc(OC(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2)cc1 914777175 IEGKICNMCNEBJT-UHFFFAOYSA-N 459.571 5.161 30 20 JKED COc1ccc(-c2noc(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 915104885 WGUQJVUDBNUDOF-OAHLLOKOSA-N 472.448 5.183 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(F)cc2F)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916128239 QKQWQOSUSAMHHN-CLTKARDFSA-N 497.450 5.613 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)cc1 916212165 JXMYCNZMUHVMSO-NRFANRHFSA-N 474.026 5.344 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(C[C@@H]3CCCO3)C2=O)c1 916213757 GXNCECLGBTURSN-FPOVZHCZSA-N 472.010 5.096 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccccn3)C2=O)cc1 916217855 XOPHWBNAJSJDCG-JOCHJYFZSA-N 458.587 5.167 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1c(C)cccc1C 916217872 XTPOTGPWZMTYDH-LJQANCHMSA-N 493.551 5.319 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)NCCc2ccc(Cl)cc2)cs1 916357076 YHKVGOYVQGTEOR-UHFFFAOYSA-N 492.457 5.175 30 20 JKED COc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)ccc1OCc1c(C)noc1C 916541513 ZDWZXYTUHGGPNB-UHFFFAOYSA-N 492.601 5.110 30 20 JKED Cc1cc(OCCCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1Cl 916886688 JAINWPOZEXJCER-QGZVFWFLSA-N 452.910 5.470 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)c1 916893985 ISONPWLSXGEHJO-IBGZPJMESA-N 464.934 5.019 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCC(C)C 916904591 GTXWEHHWCFPUSW-OAQYLSRUSA-N 458.514 5.483 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(Br)cc2)o1 916907180 LKYNXHDQZYQDNN-NRFANRHFSA-N 495.373 5.707 30 20 JKED N#C[C@@H](C(=O)CCCOc1cccc(Br)c1)C(=O)Nc1cccc2ccccc12 916916871 BCTSNIKBIINTHV-FQEVSTJZSA-N 451.320 5.109 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1 916952630 MIKMRORUBXKCMT-IBGZPJMESA-N 478.961 5.078 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)c1 916975933 GPULORZVNJYABJ-KNQAVFIVSA-N 478.017 5.809 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)cc1 917045121 VWVKASJZYCNOHL-MRXNPFEDSA-N 457.502 6.166 30 20 JKED C=CCn1c(SCc2c(C)nn(Cc3ccccc3)c2Cl)nnc1[C@@H]1COc2ccccc2O1 917175122 DIHDZUUUHHMCAM-QFIPXVFZSA-N 494.020 5.476 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(C)[nH]c4ccc(Br)cc34)n2)cc1 920138754 IGLSTBRBLRAIPH-LJQANCHMSA-N 480.387 5.790 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)n2)cc1 920143342 PCFJTWVOPICVDD-QGZVFWFLSA-N 481.002 5.125 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc(-c3ccc(OC)cc3)cs1)O[C@H](C)C2 920144052 XAYCAOYYYLPIDY-DONMESLTSA-N 460.555 5.430 30 20 JKED N#CCCn1cc(C(=O)OCc2coc(-c3cccc(Cl)c3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 920908014 QCTMCLVVCHKQBI-UHFFFAOYSA-N 477.864 5.037 30 20 JKED COc1c(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)cc2ccccc2c1Cl 1787882505 SVSLPGOXKAWZBW-UHFFFAOYSA-N 473.960 5.553 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)[C@H](C4CCOCC4)CN5)cc3)CCC2)CCC1 1787947673 DHZGUJKPJJGQSP-VWLOTQADSA-N 498.627 5.064 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312305 USTAIZBAFSPRDC-OAHLLOKOSA-N 485.009 5.498 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5[nH]ncc45)cc3)CCC2)cc1C#N 1788442504 WOTKFWGHBXVCSQ-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c1 1788649007 ZEPNDEKZRQMTBX-HYSAVQALSA-N 483.593 5.562 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4ccccc4)n3)cc2)CCC1 1788713715 ZMZBAYWVFHEKAK-UHFFFAOYSA-N 483.568 5.006 30 20 JKED Cn1ncc2c(C(=O)NC3(c4ccc(NC(=O)CCCC#C[Si](C)(C)C)cc4)CCC3)cccc21 1789508121 NWPKDHJWEBOJQP-UHFFFAOYSA-N 486.692 5.372 30 20 JKED Cc1snc2sc(C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)cc12 1789577585 JUXRWNMIBULCDX-DHRITJCHSA-N 478.599 5.126 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cnnc(Cl)c3)CCC2)cc1)c1ccccc1 1789601856 FPFCECBUSRGHQZ-HSZRJFAPSA-N 472.976 5.075 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(Br)nc3)cc2)CCC1 1790347705 IWXGLQVABGDFCP-NRFANRHFSA-N 482.422 5.289 30 20 JKED CC(F)(F)C(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790521757 ZDEBZUKIOUNJSJ-UHFFFAOYSA-N 457.496 5.055 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3C)CCC2)cc1 1790564970 VODKKNRIIQCZBS-NRFANRHFSA-N 484.600 5.606 30 20 JKED CC(=O)Nc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)ccc1C 1790766674 DJTNNKJRCXIXPK-UHFFFAOYSA-N 484.531 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4onc5ccccc45)cc3)CCC2)c1 1790909363 UPWWBOQSWINYPO-GOSISDBHSA-N 464.525 5.516 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCc5ccoc5C4)CCC3)cc2)c1 1792123043 HQYVVFQAYXACNU-CVDCTZTESA-N 467.569 5.459 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cn4cnc5ccccc54)CCC3)cc2)c1 1792126629 HWRHLFHUKLLPOC-HXUWFJFHSA-N 477.568 5.111 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)[S@@](=O)c4ccccc4)CCC3)cc2)c1 1792127271 UXFLJCKNKZGSOS-FHJNJFCGSA-N 499.636 5.258 30 20 JKED CCN1CCC(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)CC1 1792357431 LBJQZNOHPPHBIR-UHFFFAOYSA-N 498.549 5.057 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 1797278525 MJVLAWWHYPFQHH-QEIWAGNOSA-N 486.575 5.339 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(Br)cccc1-c1ccccc1 1799281088 SAQJXCPKIFCMMU-ACDBMABISA-N 499.474 5.287 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)c1ccccc1n2CC 1799316912 AHIXPHKDTNBDDL-NUNAXRQHSA-N 455.602 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([C@@H](C)C(F)(F)F)cc1 1801458153 SCZFJKAEHJPICP-HLRQEUIKSA-N 464.572 5.526 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(C)(C)C)s2)C3)cc1C#N 1803838608 GRFQOGGHCVKYIG-WKCHPHFGSA-N 479.646 5.270 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803997644 ALVDQUDEVSHOGN-ASWYTMLNSA-N 483.534 5.013 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC3(CCCN(C(=O)CCc4cccc(C#N)c4)C3)CC2)cc1 1805328337 PROZRMQFWRAQBQ-XDHOZWIPSA-N 487.669 5.337 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3[nH]c4ccoc4c3-c3ccccc3)[C@@H]2c2cccnc2)C1 1811278107 UKUOAEBRWOZJDQ-RLWLMLJZSA-N 480.568 5.109 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1811304871 QVMKHSNGCMCNDG-RBISFHTESA-N 496.636 5.415 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2Cl)[C@H]1c1cccnc1 1811705146 RSSSZICBTDOZGE-PXDATVDWSA-N 482.100 5.106 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[C@@H]1c1cccnc1 1813060408 IGMACLFNTLAUGN-HUROMRQRSA-N 475.539 5.175 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1813227051 XUBDRKPHURXJSJ-OUTSHDOLSA-N 481.596 5.387 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813978152 WXGXVWLXHOOXCX-AOMKIAJQSA-N 478.807 5.165 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(F)c(F)c3)n[nH]2)c1Cl 1814663872 XBOPQZSGGQWEPP-OAQYLSRUSA-N 497.933 5.152 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1)C(F)(F)F 1816102355 WTFOINUCVCLPFI-FQEVSTJZSA-N 471.483 5.138 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1819306193 ZLGBFCZFXHQVOG-HTAPYJJXSA-N 477.996 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)[nH]n1 1819309572 XHMFNXXICMIJMB-YKSBVNFPSA-N 480.584 5.412 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)n[nH]1 1820082476 TXAOBZJLDNIBRZ-XMMPIXPASA-N 480.572 5.062 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(Cl)c3)n[nH]2)cc1C#N 1820502385 HJZWUZRNZZMCFI-JOCHJYFZSA-N 491.979 5.342 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)n[nH]2)CCC1 1821127774 UYDNCOXFHKUNSF-QGZVFWFLSA-N 479.890 5.082 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)[nH]n2)cc1 1821179446 FBAVPZWQFBJNIM-AREMUKBSSA-N 490.567 5.157 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)cc1 1821308896 MCVHYKFJGKSGHP-QFIPXVFZSA-N 495.505 5.157 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)c2s1 1823215479 SUDGKQCRZVHRPU-QMHKHESXSA-N 498.612 5.575 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823303552 RYGDZTGQBOLFBU-SJLPKXTDSA-N 473.401 5.116 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)ccc2[nH]1 1823684736 DAYKUQKWSWBPLG-NDEPHWFRSA-N 482.628 5.214 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1823753589 UYOZOXHFQNGMTR-RUZDIDTESA-N 495.664 5.259 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 1824145192 CYGUZUYUTMEWKS-QHCPKHFHSA-N 459.030 5.350 30 20 JKED CSCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1824559139 NBGZZBFLCQDSTF-OAQYLSRUSA-N 495.611 5.200 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 1826418942 LAUZPFXBBFUBSP-PAUTXSKSSA-N 468.682 5.419 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826476157 CBMMTDRMACTQEQ-ISKFKSNPSA-N 476.583 5.636 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330756 YTLJBSSESOKZKV-AJTFRIOCSA-N 490.648 5.091 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)CC1)C(F)(F)F 1827414844 PPUIDODIHGRPBS-INIZCTEOSA-N 471.570 5.018 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533723 OMULIGNLCFFWJM-ZHRRBRCNSA-N 489.479 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1828828224 FRLXSZTUNZPBIR-XNMGPUDCSA-N 471.645 5.750 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1)c1ccccc1 1829032033 IFZVVXHPWUUSCF-IHLOFXLRSA-N 493.651 5.665 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)c1 1829956278 BNZGCGDEGQSTEL-HHHXNRCGSA-N 491.591 6.005 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(C)C)cc3)CC2)c(C#N)c1 1830057042 CEGUQBVDHFKFHA-MUUNZHRXSA-N 487.644 5.166 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)CC1 1830423286 LROWIXNHOOZEOG-RUZDIDTESA-N 489.664 5.274 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830534409 BTNLBFXNHDYBMT-LJQANCHMSA-N 476.461 5.289 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 1830771003 PJWQGZFGFBSMHP-HSZRJFAPSA-N 481.543 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccoc4cn3)CC2)c1 1830822347 FUMRKRDHKNYXNN-KBMIEXCESA-N 470.573 5.002 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831209316 RSGAMQIGGBNUMS-IGYGKHONSA-N 499.699 5.283 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccs2)CC1)c1ccc(O)cc1 1831921026 IWIWEUCDXYDPBD-IGKIAQTJSA-N 492.685 5.203 30 20 JKED Cc1ncc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1832635498 HZBZTNMCAQLJGX-QOUQAXHDSA-N 476.646 5.025 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1832747579 PZBVRCAFTDYDQW-VWLOTQADSA-N 479.665 5.098 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)CC2)c(Cl)c1 1832850983 UPHAQDPEWWHLSD-RUZDIDTESA-N 494.010 5.316 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC[C@@]23CN(Cc2ccccc2)C[C@H]3C)C1 1841790885 QRJIJSPBLYPOHX-HUAHKICQSA-N 491.720 5.121 30 20 JKED CC(C)c1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nc3ccccc3c2=O)cc1 10443685 JYFYFANSWYUREN-UHFFFAOYSA-N 460.584 5.173 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10757058 SLUCMGNUSFUMRW-UHFFFAOYSA-O 468.788 6.433 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1)c1cccc(Cl)c1 11128275 WHCPDLJKIMTFFH-UHFFFAOYSA-O 451.877 5.403 30 20 JKED N#Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 14819647 AIHCMXXMJKQWBQ-QGZVFWFLSA-N 458.370 5.814 30 20 JKED C=CCn1c(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)nnc1-c1ccc(Cl)cc1Cl 16817620 OXEVECCGMZSXLL-UHFFFAOYSA-N 490.372 5.028 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nnc1-c1ccc(C(C)(C)C)cc1 16866213 IZDHHBICBIKSKF-HNNXBMFYSA-N 456.562 5.826 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c1=S 16878208 QTIJKZQWMAKLTR-UHFFFAOYSA-N 463.651 5.355 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2scc(-c3ccccc3)c2c1=O 20789919 LZKJINJZWLHWFQ-KRWDZBQOSA-N 489.622 5.633 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nc2cc(Cl)ccc2c1=O 21831972 SLNNEBVFMFPSPT-RDTXWAMCSA-N 460.024 5.142 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1sc2cc(F)ccc2c1Cl 22932464 ZMYNVZJHYSXWCL-CYBMUJFWSA-N 460.914 5.195 30 20 JKED COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(C(C)(C)C#N)cc3)[C@H]2c2ccccc2OC)cc1 25841148 UFTWBVFEVLABNN-LBNVMWSVSA-N 497.595 5.628 30 20 JKED C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)c1ccc(C#N)cc1 26114203 XGRXLOHIYGEMFZ-MRXNPFEDSA-N 475.524 5.054 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 36801941 ODJALUKUPWLCBR-UHFFFAOYSA-N 459.619 5.468 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cs2)cc1 72025299 AUOWWMGNXGTWEZ-UHFFFAOYSA-N 469.566 6.184 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2cccs2)c2ccc(F)cc2)CC1 108340524 GODPRVKMFRTYEO-UHFFFAOYSA-N 476.533 5.457 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CC1 195711541 DJPXTMPNPRHQCF-UHFFFAOYSA-N 472.545 5.093 30 20 JKED CC(C)CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 218669139 DFMRSRNLPMRPTB-QGZVFWFLSA-N 495.674 5.444 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 302994380 GJPFODONXOXRDM-UHFFFAOYSA-N 460.555 5.628 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 409524524 YSQYSPBFZBPXKU-UHFFFAOYSA-N 478.381 5.090 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1Cl 480126924 UEACDOGVTFVVER-GMAHTHKFSA-N 459.933 6.093 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCc2ccccc21 484801356 YYXAIURNBZKMDJ-SANMLTNESA-N 453.542 5.002 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 487996616 MHHQEPZAYZADSF-QFIPXVFZSA-N 496.508 5.557 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)c1 498779887 NLKVDOGRJUIZJI-UHFFFAOYSA-N 471.567 5.060 30 20 JKED C[C@H](Cc1ccccc1F)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 500933483 CIVNKQUBOOBDSP-GFCCVEGCSA-N 459.365 5.410 30 20 JKED C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccc(Cl)cc1Cl 502596970 RTRXKBSRUJRIHE-UHFFFAOYSA-N 478.430 5.719 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 502682473 VWAHOLSXJZVPJQ-CALCHBBNSA-N 476.390 5.422 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)s2)cc1 508364615 ZFDHGVZPIZMCQK-WBVHZDCISA-N 475.521 5.398 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2ccccc2C(F)(F)F)c1 509393288 OWUIGGRZYILACD-UHFFFAOYSA-N 483.515 5.280 30 20 JKED Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C 510010740 RNWFIRMGQPHKOH-JOCHJYFZSA-N 460.965 5.715 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1Cl 510024131 QCYSXGCSMDHILM-VWLOTQADSA-N 474.992 5.149 30 20 JKED Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(OCc3ccccc3C#N)cc2)c1C 513540460 LGQPVLOOBVWPSD-MHZLTWQESA-N 497.595 5.014 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513687226 OEEUJJBDJRKINH-MRXNPFEDSA-N 478.574 5.261 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nc2ccccc21 514000117 ULZMBBCESNMUEY-HHHXNRCGSA-N 479.584 6.070 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-])c1ccccn1 517801161 YSDDLYXRAMPUQO-APWZRJJASA-N 469.526 5.776 30 20 JKED CCc1ccc(C(=O)Nc2sccc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 517860139 YDYWXQBMCOSTMW-UHFFFAOYSA-N 459.571 5.118 30 20 JKED C[C@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 518108802 ZSIOOODKMXBFMD-OAHLLOKOSA-N 451.885 5.301 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cn2)c1 518287435 AVPZOSCKQKLRLV-UHFFFAOYSA-N 481.577 5.976 30 20 JKED Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)n1Cc1ccccn1 519105533 VQHSOSDNHDFMEU-VWLOTQADSA-N 454.961 6.109 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1C 519193423 HMVSJTAGWLFPBP-UHFFFAOYSA-N 498.418 5.268 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 519431622 HQCHULLNCXUCHX-NSHDSACASA-N 495.876 6.822 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CCSc2ccc(F)cc21 519440462 IFNBJVIKAREGFK-OAHLLOKOSA-N 483.512 5.142 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 519876477 KZBMJGJHNXMGDD-UHFFFAOYSA-N 455.583 5.426 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](CC)c2nc(C)cs2)c1 520563127 LZKHYMGDMZDITR-FQEVSTJZSA-N 490.050 5.367 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccccc3Oc3ncccc3C#N)s2)cc1 520790759 CUBIZWYEGYSOJP-KRWDZBQOSA-N 497.580 5.302 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(S(=O)(=O)NCc4cccs4)cc3)c2)cc1 521494969 GGNAGBARQMPUNX-UHFFFAOYSA-N 489.578 5.143 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SCCC#N)nnc1-c1ccc(Cl)cc1Cl 521717491 XWIQFLROMFWGMY-UHFFFAOYSA-N 492.457 6.008 30 20 JKED Cn1ccnc1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cccc(F)c1 523874660 VKBBRXNKTRCWHW-RUZDIDTESA-N 471.511 5.071 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc1 524704134 MKAYKVHCLOBBLI-UHFFFAOYSA-N 463.990 5.425 30 20 JKED C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 557702185 PZGZAFKGZAEQLK-SLFFLAALSA-N 465.619 5.501 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(Cc3ccccc3)c3ccccc3C#N)C2)c1 560324610 DUDNHOAOWPAJPL-RUZDIDTESA-N 451.570 5.261 30 20 JKED CCN(CCC(F)(F)F)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 589332610 UXOSZSZIHVEVLM-UHFFFAOYSA-N 487.366 5.813 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc(-c2c(F)cccc2F)cs1 589831218 YEUPITUFIUBVCT-GFCCVEGCSA-N 457.914 6.355 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 603530618 LVUSATHVSXYXDZ-UHFFFAOYSA-N 453.995 5.474 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 603565628 BINBMHCWSHSKEL-UHFFFAOYSA-N 470.520 5.303 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cc1 603737401 FYBPVEFOOILTCC-UHFFFAOYSA-N 480.568 5.559 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 603739180 XHOURCDXZHTTFZ-UHFFFAOYSA-N 485.422 5.422 30 20 JKED N#CCc1ccc(OCc2cccc(N[C@@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2)cc1 603953331 KBHJPVMCPZTYHD-OAQYLSRUSA-N 480.351 5.382 30 20 JKED COc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c([N+](=O)[O-])cc1OC(F)F 604003883 PCSMRXYQZLVQIA-UHFFFAOYSA-N 483.427 5.102 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC3(c4ccccc4)CCC3)cc2Cl)cc1 604137363 FWLRMGLLXSSPKR-UHFFFAOYSA-N 459.933 5.181 30 20 JKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 608878906 PJJPFHHFEAGDMY-UHFFFAOYSA-N 495.564 5.432 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2cc(Br)ccc2Cl)cc1 609016042 YPQVXRXHGAIFNP-UHFFFAOYSA-N 491.794 5.548 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C2CC2)cc1 609084995 IAAFONXEOKMSRK-RUZDIDTESA-N 489.959 5.005 30 20 JKED COc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 609098877 SRZJKRZRLKYDOJ-QHCPKHFHSA-N 492.938 5.219 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCCCc3nc4ccccc4[nH]3)cc2Cl)c1 609207585 GBGMAPMRSZQNJG-UHFFFAOYSA-N 459.937 5.421 30 20 JKED COc1cccc(/C=C(/CC(=O)N(C)c2ccc(C#N)cc2F)c2nc3ccccc3s2)c1 609216702 UKKYKZUDGOLUOR-UNOMPAQXSA-N 457.530 5.909 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 609437115 QBHCMBPKJRQECB-AQNXPRMDSA-N 452.624 5.012 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nnc(-c5cccc(C)c5)o4)cc3)n2)cc1 613314366 MCXYKEDBZDHANM-QHCPKHFHSA-N 476.561 6.634 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H](C(F)(F)F)C2)nc2scc(-c3ccccc3)c2c1=O 613900520 UFCMFNXTJOAMJZ-INIZCTEOSA-N 493.576 5.204 30 20 JKED O=C(NCC1(c2ccc(F)cc2)CCOCC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 619374201 KSFZMPACNFJTBY-GJZGRUSLSA-N 470.429 5.083 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C(C)C)nnc1-c1ccc(Cl)cc1 639427351 KYHBYUWJSCCPMR-NRFANRHFSA-N 484.025 5.498 30 20 JKED Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnn1-c1cccc(C(F)(F)F)c1 642158730 UVTJOYJNRNJXEU-STQMWFEESA-N 487.366 5.839 30 20 JKED C[C@H]1Sc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2NC1=O 642281632 NLSJCKYYMAFCDW-QMTHXVAHSA-N 474.394 6.040 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1Cl 726407755 AUMSFZXMENGBSU-HXUWFJFHSA-N 498.992 5.573 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C[C@@H]1CCCO1)c1cccs1 726422354 WLNFXVSLHFLKPO-OWGISZOCSA-N 493.654 5.470 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 726571330 SXDALOKRZWURIH-UHFFFAOYSA-O 483.082 6.798 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)ccc2F)[n+]2ccc(C(CC)CC)cc2)c1 726572786 OKFOPRBUAXEHOT-UHFFFAOYSA-O 463.573 6.461 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)c(C(F)(F)F)c1 727360701 QFLRALVYJILXJE-NRFANRHFSA-N 460.477 5.044 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 728181904 JDXGEXSCKDAWKA-UHFFFAOYSA-N 482.565 5.299 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729144722 YEHLGISUFQBJTD-OAQYLSRUSA-N 478.643 5.537 30 20 JKED O=S1(=O)CCC(=NNc2ncnc3sc(-c4ccccc4)cc23)c2cc(Br)ccc21 729817206 XCQYDQBAEKTCSI-UHFFFAOYSA-N 499.415 5.114 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc(-c3ccccc3)nc21 729888433 FZTLDNCPWFDPQW-QHCPKHFHSA-N 473.536 5.794 30 20 JKED CCn1c(NN=C2CCCc3nc(-c4ccccc4Br)sc32)nc2ccccc2c1=O 730431127 NTQIIIMFTTXVGO-UHFFFAOYSA-N 494.418 5.455 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O)Nc1cccc(Cl)c1Cl 730459989 RHRZPEKDVOQXBI-QGZVFWFLSA-N 466.365 5.645 30 20 JKED C[C@@H]1CCCC[C@@H]1OCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731307824 VPKTYCJWNWDXRW-MQNAVGNWSA-N 499.608 5.087 30 20 JKED CCN(CC)c1ccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1F 731403134 TYCSXCMXVHYJGZ-UHFFFAOYSA-N 470.599 5.009 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCOc2cccc(Cl)c2Cl)cc1Cl 743448830 CHZGSILHFFMDBS-CYBMUJFWSA-N 455.725 5.162 30 20 JKED CCCCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 746014921 HIHDIMOPUCOMLU-UKTHLTGXSA-N 470.541 6.571 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cscn3)C2=O)cc1 747600383 QHRSCLALRBCNMZ-QFIPXVFZSA-N 492.626 5.123 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)N=C1C 798149116 RSVNQDGZWKWMNJ-UHFFFAOYSA-O 481.041 5.824 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)cc1OC 837753436 HOCQZVGUTBROHC-OAQYLSRUSA-N 499.589 5.065 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@H](C)c3ccccn3)C2=O)c1 837886087 IQMSNBZCGQSJIT-OPAMFIHVSA-N 495.004 5.465 30 20 JKED CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 875067561 XPALZXMZKWSMFX-UHFFFAOYSA-N 461.547 5.002 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(-c2nc(-c3cccnc3)no2)ccc1Cl 904324839 SUAGLADJWJADPW-UHFFFAOYSA-N 487.368 5.487 30 20 JKED COc1ccc([C@H]2[C@H](C(=O)N(C)Cc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC 914449745 IUVJTHAVSPAQHW-IRPSRAIASA-N 497.595 5.027 30 20 JKED Cc1c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)sc2nc(C(F)(F)F)ccc12 914679718 IMJITXBLMVDANZ-ZDUSSCGKSA-N 479.455 5.255 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)CC1 914956558 LMFGWCPNIXMMAD-RUZDIDTESA-N 481.508 5.190 30 20 JKED CC[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)n1nnc(-c2ccc(Cl)cc2)n1 915086907 YFJJMXOSOMAHOS-GOTSBHOMSA-N 456.937 5.239 30 20 JKED Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)CSCC#N)cc3)sc2c1 915132692 HTYSXNRVFRRZTL-UHFFFAOYSA-N 452.630 5.482 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3cc(F)c(F)cc32)ccc1Cl 915604881 WANWOACZTCMRPV-UHFFFAOYSA-N 488.943 5.202 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccccn3)C2=O)c1 916207524 GCECMIPMWDGIMF-DEOSSOPVSA-N 472.614 5.476 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916209450 LMEMJISMVAASDK-KRWDZBQOSA-N 499.461 5.430 30 20 JKED CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)C1=O 916329543 NNZQIXFUVJSTPC-HSZRJFAPSA-N 490.029 5.486 30 20 JKED CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(OCC(=O)Nc2ccccc2C)cc1 916594895 UEHWEHVVKMQUPB-UHFFFAOYSA-N 476.886 5.916 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916887998 SAKRLRYICCMDHP-LJQANCHMSA-N 486.569 5.244 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 916899560 JKDFVAAGLWVZJZ-QFIPXVFZSA-N 490.987 6.014 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916905479 CTZAHBPXWPQGEO-HSZRJFAPSA-N 457.505 5.164 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1 916912943 COKSIYCVUUUWAR-NRFANRHFSA-N 465.550 5.473 30 20 JKED Cc1cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1C1CCCCC1 916927221 GJUKLSYQKAFLHS-OJLWIZQOSA-N 458.389 6.278 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042231 DTLUXZNFSUBKRX-UXHICEINSA-N 493.510 6.053 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044279 SFWUHOFLLZMBNK-DLBZAZTESA-N 491.560 5.352 30 20 JKED CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)[C@H](C#N)c1nc3cc(Cl)ccc3s1)C2=O 917047180 STZMUVKKODGWPP-HRUUGQBSSA-N 487.025 5.043 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 917426928 QPTGRJGBOVLQCD-PTLVVNQVSA-N 460.578 5.100 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccccc2C#N)cc1 917612530 XAJYIGRSNLOVPP-UHFFFAOYSA-O 485.633 5.843 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccsc2)C1=O 917678872 QSBZZNASVVSPRO-FQEVSTJZSA-N 486.018 5.571 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 917679522 NMSOKBGRYOVCLM-SFHVURJKSA-N 484.380 5.129 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1C#N 917704233 HKBOBBDSIUJMOC-OAQYLSRUSA-N 485.009 5.371 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(NC(=O)OC)c2)c1 917705706 HKAPHQYGWWKHNA-UHFFFAOYSA-N 499.976 5.152 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 918710948 AECBFMQODQPHQG-UHFFFAOYSA-N 475.521 5.657 30 20 JKED C[C@H](c1nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(=S)n1-c1ccc(F)cc1)N(C)C 918734209 WLLYWYYXXBIINN-RDBSUJKOSA-N 499.500 5.185 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 920101878 LLOZTBGHFQBAHI-IBGZPJMESA-N 463.415 5.888 30 20 JKED N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc2cc(C(F)(F)F)ccc2s1 920112997 OAMOLQSYXQTPDC-MRXNPFEDSA-N 464.896 5.893 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)NC(=O)c3cccc(Cl)c3Cl)n2)cc1 920139667 XBSVBTDOTDQRLS-MLGOLLRUSA-N 474.369 5.120 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C\c3ccc(F)cc3)c3cccs3)n2)cc1 920143462 PXOGUTWDWXTKNV-MSTPFNHUSA-N 460.555 6.436 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 920353153 BWZNQMAYBWFBPX-HSZRJFAPSA-N 492.601 5.077 30 20 JKED N#C[C@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2c(F)cccc2F)cs1 920804082 KSYGXZWCNSWDFA-ADLMAVQZSA-N 475.929 5.421 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920807016 VQQFMWZLVLAFST-WBMJQRKESA-N 457.527 5.404 30 20 JKED Cc1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c2c(C(C)C)noc2n1 920898494 PWKPOFVAOOQTNY-CQSZACIVSA-N 466.563 5.041 30 20 JKED Cc1c(NC(=O)c2cccc(N=Cc3cc(Cl)cc(Cl)c3O)c2)c(=O)n(-c2ccccc2)n1C 920943292 BEULPJMPMGPPQZ-UHFFFAOYSA-N 495.366 5.500 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(F)F)cn3)cc2)CCC1 1787146651 BCWPKFHHRSKTNW-FQEVSTJZSA-N 455.505 5.199 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5c(Cl)cncc5s4)cc3)CCC2)c1 1788312350 YDYWADMEDSREPS-UHFFFAOYSA-N 475.961 5.211 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)cc2)CCC1 1789295043 LBGFVSWVCGFQBU-MRXNPFEDSA-N 470.495 5.313 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)CCC2)cc1 1789454016 KUMADYUPEJNJTE-HSZRJFAPSA-N 493.611 5.846 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)/C(C)=C/c4ccc(C)o4)CCC3)cc2)c1 1790074162 GCPOVLDRLSNWQT-QGOAFFKASA-N 469.541 5.320 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1 1790650796 DMABQDWCGOPFTA-HNNXBMFYSA-N 464.459 5.183 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](S)C(C)C)CCC3)cc2)cc1OCC1CC1 1790740777 SWZFAXCFOPCKGX-DEOSSOPVSA-N 482.646 5.186 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3)N(C)C)cc2)CCC1)C(F)(F)F 1791129423 XMCOJIJUAZNSTI-HXUWFJFHSA-N 479.930 5.195 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3[nH]nc4c(Cl)cccc34)CCC2)cc1 1791249204 MHLCLDSZYQFJOJ-INIZCTEOSA-N 450.970 5.105 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1)C(F)(F)F 1791302375 ADFXGZNAISSVOB-UHFFFAOYSA-N 465.475 5.615 30 20 JKED C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1791350377 XAGJXWNEWAAFCT-IQGVVSCOSA-N 474.582 5.089 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c4ccco4)cc3)CCC2)C1 1791801981 CPBPSVBERYDUBD-JOCHJYFZSA-N 493.604 5.336 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc2ccccc2c1 1796513623 VUCQYMWGTGINCU-ZGXDEKTJSA-N 473.642 5.108 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3sccc3s1)C2 1798420478 OWKQROCEHNTCPK-BCDXTJNWSA-N 458.725 5.266 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)c(Br)cc1Cl)C2 1798591870 MWUDSIPRIVAZQY-QDMKHBRRSA-N 485.825 5.486 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)c(C)c1)C2 1798592491 VSCFXRRRPQKODV-BKFWDETESA-N 497.680 5.264 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccccc4)cc2)C3)c(Cl)c1 1800691629 KCHDAGGMXYQQGL-KOUNCHBCSA-N 485.971 5.570 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccsc2[nH]1)c1ccc(C#Cc2ccccc2)cc1 1800950416 APGOEIGKVNUEPW-QEIWAGNOSA-N 479.605 5.195 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1c[nH]c3cc(C)ccc13)C2)c1ccc(O)cc1 1802424780 BPLGGICRUZUNFE-AVORXBQKSA-N 495.623 5.031 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1803083546 FVYAFZVFHAUCEG-LVXARBLLSA-N 491.035 5.613 30 20 JKED CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(C#N)CCC2)cc1 1804115190 FDQQNZKNNNFYBC-ZBCONREDSA-N 493.648 5.005 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3ccc(O)cc3Cl)CC2)C1 1804866362 XPUIRUBQCSRRQD-CSKARUKUSA-N 459.030 5.282 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4cccc(F)c4s3)[C@H]2c2cccnc2)c1 1809203668 FTYJNWTZSAQOOO-PXDATVDWSA-N 498.583 5.249 30 20 JKED Cc1ccc(S/C=C/C(=O)NC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)cc1 1810247520 UYVJMBLJOUNRDO-NDJTWEQLSA-N 496.636 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1810501731 COTIVLCRJAHCDC-GGAORHGYSA-N 498.465 5.465 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@H]1c1cccnc1 1810511071 VMFJPNCASHVDKG-GGPAXRDESA-N 485.603 5.343 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(F)ccc3Cl)[C@@H]2c2cccnc2)c1Cl 1811132738 RYCRYHOQUFDJIT-SBUREZEXSA-N 497.357 5.033 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1811634068 WIXBZHDZXBINSR-YDTRGFDASA-N 494.639 5.541 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccc(C)cc4s3)[C@H]2c2cccnc2)c1 1812221244 FOSXWXMRDVVHOO-WNCULLNHSA-N 494.620 5.418 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1813960079 BATHMOCBJVSTKK-DDZLNHKNSA-N 490.648 5.276 30 20 JKED COc1ccc([C@@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1814734115 NGVZDLAPZLCJSF-OPAMFIHVSA-N 491.979 5.053 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cc[nH]c3c2)n[nH]1)c1ccc(O)cc1 1818488561 ABSFIKMSYWQRRF-HFZDXXHNSA-N 495.583 5.100 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)/C=C/c4cc5ccccc5o4)sc3C2)c1 1818638845 NZNMBGGAXIKIMI-GNJIXXJRSA-N 496.592 5.456 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1)c1ccc(O)cc1 1820901940 JYBIPYCCDDCMGR-PGIKHKOUSA-N 474.605 5.051 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821202445 RXGKEVHPENJUPW-GOSISDBHSA-N 483.371 5.144 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)cc1 1821503844 QLPPXCQDZCRAHQ-JOCHJYFZSA-N 499.596 5.140 30 20 JKED CC(C)(C)CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1822116272 RHWYGTBJKAUHKZ-HSZRJFAPSA-N 463.626 5.778 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 1822313662 ANILCJFFGGMIRS-SFHVURJKSA-N 485.610 5.095 30 20 JKED Cc1cc(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)c1 1823192152 PCJQXTOIHXRIES-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)[nH]n2)c1 1823212149 LOEYHTKSHXEVQJ-AFMDSPMNSA-N 494.599 5.457 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3C(C)(C)C)[nH]n2)c1 1823212240 MVKSEUMIJJPHFM-JPYJTQIMSA-N 484.604 5.349 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ncsc34)[nH]n2)c1 1823214796 KMOQJXIEKFSLKZ-ZHRRBRCNSA-N 484.585 5.266 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(C)c3F)CC2)C1 1823700008 HVACWQTUEXJWAN-NRFANRHFSA-N 477.418 5.096 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824054072 GBKIFMXFVMNUPZ-SANMLTNESA-N 494.035 5.086 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 1824232710 ACTBFDJQVCCQHY-UMFSSWHCSA-N 470.604 5.456 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1F 1824457528 MEJBTNJNEBUQAX-SANMLTNESA-N 479.571 5.011 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)ccc1F 1825094354 SOCPBQRLEMAAGG-PTHGBANUSA-N 498.602 5.054 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1826693774 YTSZFRPCQCKSEO-JOCHJYFZSA-N 482.422 5.139 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3C)CC2)C1 1827332301 MGENSUVITQNMDL-AREMUKBSSA-N 457.618 5.257 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)[nH]c12 1828543739 ATBZEXDUSNVLSC-MHZLTWQESA-N 482.628 5.214 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1828821411 MZYKDYJSSMIQKP-VXKWHMMOSA-N 477.571 5.031 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1828826850 DHZOTLHFVVEBON-BVAGGSTKSA-N 470.629 5.615 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3cccn3)cc2Cl)CC1 1828827434 MXKVOACBFPJXLO-BVAGGSTKSA-N 495.067 5.527 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 1829064677 IKWNUSZWXQIZOA-FQEVSTJZSA-N 466.453 5.614 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(N(C)C)c(F)c2)CC1 1829068573 FJPKYODJSSGWCW-QHCPKHFHSA-N 475.624 5.257 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829353299 JCNZHZGXRYPCJS-NRFANRHFSA-N 465.560 5.326 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1830014903 BVKAFYBXWSXRBM-MUUNZHRXSA-N 478.596 5.167 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)C1 1830536924 XBVGPRWOYZMBQQ-NRFANRHFSA-N 468.947 5.558 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccncc34)CC2)c1 1830866897 JXCUEKVVSCVQIK-KMRXNPHXSA-N 480.612 5.409 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 1831374408 PSFVLMVNPAGQNO-BTYIYWSLSA-N 483.397 5.173 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831851837 AQHPZHDXSHGYTA-GBXCKJPGSA-N 476.583 5.318 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1831860550 DXGSPXODQCZWAE-BJKOFHAPSA-N 489.701 5.046 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633437 HSZDPTMRARGQIX-BERHBOFZSA-N 473.617 5.014 30 20 JKED Cc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633450 CMOMNOVHPBTKED-AMGIVPHBSA-N 457.618 5.098 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CC1 1832703681 PRPCHGQKWHPGRB-JYFHCDHNSA-N 477.649 5.325 30 20 JKED C#CCCCCC(=O)N1CCCC12CN(C(=O)c1ccc(-c3cccc(Br)c3)cc1)C2 1846489498 DCXLFFJTOLWGQQ-UHFFFAOYSA-N 479.418 5.127 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1cccc(C)c1C 10167809 YWTFKBOTQAJZHP-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 10178918 DMADZSZHPXABPQ-UHFFFAOYSA-O 458.072 6.536 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2cccc3ccccc23)cc1 11127207 YAFIQSBRHJWKRY-UHFFFAOYSA-O 467.658 7.254 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(Br)cc1 17703828 JCMFVZFLEPNBFU-OAHLLOKOSA-N 482.407 6.105 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)sc2c1CCCCC2 17882025 BHYLBAGOUVUWDD-UHFFFAOYSA-N 488.642 5.694 30 20 JKED CC(C)n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccc(Cl)cc1Cl 20071907 BWKBVAHRQDAMAX-UHFFFAOYSA-N 460.390 5.630 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1F 20167349 UBUHAPJZZVSQHA-OAHLLOKOSA-N 465.579 5.513 30 20 JKED CCc1ccc(-c2nn(-c3ccccc3)cc2/C(O)=N/c2nc(CN3CCOCC3)cs2)cc1 21128362 NDAWAHAJVHRXBG-UHFFFAOYSA-N 473.602 5.027 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccccc2CC)cc1 22800191 DGPZOSZYFPRUHR-UHFFFAOYSA-O 457.978 5.779 30 20 JKED CN(C(=O)COC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1)C(C)(C)C#N 27794427 ZEZLBPZRAJRXDX-XQNSMLJCSA-N 474.582 5.171 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2N(C)C)c1 33122063 UCGNQYVTHFTRIP-UHFFFAOYSA-N 469.994 5.040 30 20 JKED COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1NC(=O)c1ccc(Cl)cc1F 68734446 BASNWPJMBMQKPP-UHFFFAOYSA-N 499.929 6.531 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 69643956 DDDPFWHNSQKQQZ-CQSZACIVSA-N 471.410 5.374 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccccc2C(=O)c2cccs2)ccc1Cl 105417636 VRRXSCNODZLOBN-UHFFFAOYSA-N 466.946 5.045 30 20 JKED COc1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)ccc1S(C)(=O)=O 208126366 CJEABJDHZWKCRW-SQFISAMPSA-N 472.566 5.156 30 20 JKED CCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)[C@@H](C)c1ccc(C#N)cc1 302957544 PKJSJBGEGXQHKF-INIZCTEOSA-N 453.336 5.716 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cs1 302963905 CJJMPFVZFLOKFV-UHFFFAOYSA-N 457.580 6.660 30 20 JKED CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)n1 303224447 VUEOYSSDOPFRSV-UHFFFAOYSA-N 452.514 5.737 30 20 JKED Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C2)cc1 486205426 GSJOOVYTDLHWJL-QFIPXVFZSA-N 468.557 5.333 30 20 JKED O=C(CS(=O)(=O)Cc1ccc(F)cc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 498649484 QHMDSAFXKWOWGD-UHFFFAOYSA-N 477.785 5.070 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1nc2ccccc2o1 499207276 CQDJWWXXYOQHTB-AWEZNQCLSA-N 470.838 5.664 30 20 JKED Cc1cc([C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)nc(C)n1 502678311 ZYAFTZBIWLBAGK-KRWDZBQOSA-N 470.385 5.658 30 20 JKED CCn1c(-c2ccccc2)c(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c2ccccc21 502859860 WPZYMAAHDVTHNI-UHFFFAOYSA-N 465.940 6.051 30 20 JKED CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 503084060 DGVJPGXUOOWFHZ-UHFFFAOYSA-N 457.559 5.078 30 20 JKED CCN(C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)[C@@H](C)c1ccc(C#N)cc1 509578982 KRZAUIGIMVGKAR-SFHVURJKSA-N 490.401 5.725 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc(C)nc21 511772484 QPHFQXPVHBPPOM-KRWDZBQOSA-N 452.518 5.087 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 512034792 JLBGSTQWJGZJIB-WOJBJXKFSA-N 456.615 5.566 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)cc1 512539400 DKLRFJVBFXJMBM-UHFFFAOYSA-N 471.538 5.955 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2sc(C)c(C)c2C#N)c(OC)c1 512977970 VNBCAYXXNWJQJV-UHFFFAOYSA-N 459.571 5.973 30 20 JKED CCOc1ccc(Oc2ccccc2NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 515109813 ITCSTOAGZCTIRO-UHFFFAOYSA-N 499.527 5.351 30 20 JKED CN(C(=O)CSCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C1CCCCC1 518668452 CQWUPLZSTVZFJQ-UHFFFAOYSA-N 473.586 5.174 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 518739299 XMYZGYZZKZMMDN-MRXNPFEDSA-N 486.435 5.334 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1[N+](=O)[O-])c1ccccn1 519028833 YTZAQLFXJMZJAA-SFHVURJKSA-N 479.496 6.079 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 519440524 KWJBWAJRCCWBRP-KBPBESRZSA-N 450.391 5.403 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1 519451253 WHMVEEALXQDBOU-FUHWJXTLSA-N 450.633 6.561 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 521263810 NNQIKOLPIYMXDE-GFCCVEGCSA-N 493.329 5.748 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 521326724 DJWQEBDNBWHSFE-MOPGFXCFSA-N 491.638 5.473 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521711313 UTZCLHVCQKDLLJ-UHFFFAOYSA-N 456.502 5.460 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1 522483335 HFPWPPDLKKWKEZ-UHFFFAOYSA-N 482.974 5.780 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 523967020 UDHPCSWXLVLVIZ-HXUWFJFHSA-N 492.535 5.662 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 524182462 XSYVKRGULYWRMD-RUZDIDTESA-N 489.019 5.044 30 20 JKED COc1cc(OC)c2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[nH]c2c1OC 524250032 WVOLAMRDAAOBFU-UHFFFAOYSA-N 491.931 5.550 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)Nc1cccc2ncccc12)C(C)C 580109952 AZIUVJFZMJZADX-DEOSSOPVSA-N 491.592 5.486 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)Nc1cccc2ncccc12)C(C)C 580109953 AZIUVJFZMJZADX-XMMPIXPASA-N 491.592 5.486 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 589731883 NRTSSHAISDJVOZ-UHFFFAOYSA-N 485.584 5.056 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 590388843 XVILJLFIAIYLOF-HXUWFJFHSA-N 459.914 5.997 30 20 JKED C=CCN(C(=O)Nc1ccc(Sc2ccccc2)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 596362035 HXCUJZPNAIJYGX-FQEVSTJZSA-N 470.602 5.903 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 599785799 HHSIGBQXDPNFJD-UHFFFAOYSA-N 485.975 5.005 30 20 JKED CCOc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 603633249 DNWQHMGHHQGFOG-UIQPELRASA-N 489.660 5.614 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Br)cc2Br)o1 603945161 DEFRJPAPBDZZDD-UHFFFAOYSA-N 476.124 5.508 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c1 603972343 RFPZUSFSJDJJBR-UHFFFAOYSA-N 492.373 5.565 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003759 VGHVBMZINIERGS-MRXNPFEDSA-N 499.792 6.154 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)cn2)cc1 604213985 ZRAHKTGDKAYUIN-NRFANRHFSA-N 481.339 5.355 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCOCC2)cc1 604362091 HISCRBALQBCHBB-UHFFFAOYSA-N 472.545 5.014 30 20 JKED Cc1ccccc1[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 608796907 KCENDOAXOLVWMU-HYBUGGRVSA-N 457.961 5.259 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 608882383 GWPOYXGKEXERGK-UHFFFAOYSA-N 480.471 6.172 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 609058356 MYGNRWDBIWUWSR-UHFFFAOYSA-N 463.493 5.628 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1 609066239 CJSKBQDAXRLIKW-UHFFFAOYSA-N 467.522 6.193 30 20 JKED N#CCn1c(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc2ccccc21 609171154 BPTBPXIJBOPUEA-UHFFFAOYSA-N 482.927 6.305 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 609439034 TZMMWCBCZMHPAS-HSZRJFAPSA-N 499.684 5.725 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nc2ccccc2n1C(F)F 613404893 VYAPQIFEVPESDE-INIZCTEOSA-N 486.272 5.856 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](c1ccc(F)cc1)c1cccs1 642663141 NYKJXPPLVQWJII-RPCCPQHDSA-N 468.438 6.185 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C)CCCc2cc(-c3ccccc3)no2)c1=S 725780160 MYHVGFOKUWVNBR-UHFFFAOYSA-N 463.582 5.583 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](COC(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)o1 726356921 IIEACXAOLBLMKW-QFIPXVFZSA-N 474.582 5.461 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1Cl 726501728 BMOLXZHFJHLUSW-QGZVFWFLSA-N 461.146 6.059 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)c1 726572451 FZXYBPJOQCFBOA-UHFFFAOYSA-O 456.374 5.078 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 726854544 OMNFAFUIHPDVDT-ZEQRLZLVSA-N 479.502 5.957 30 20 JKED N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 727629164 SLRNYWOCXJBCGE-AWEZNQCLSA-N 454.395 6.242 30 20 JKED O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc(-c2ccccc2Br)s1 727975256 VIRSAGVEWXFAEU-AATRIKPKSA-N 461.406 5.367 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)cc1 728778500 CVEHYULOTIISDS-OAQYLSRUSA-N 485.009 5.393 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1-c1ccccc1 728778590 DIYBSGFGDLWLBY-VWLOTQADSA-N 482.609 6.008 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)cc1 729307501 UXRZYPDROVBHSL-UHFFFAOYSA-N 474.586 5.439 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)cc1 730719685 HWCBTRFUZSZMDL-OXJNMPFZSA-N 479.631 5.130 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943611 HHRAWMMNUUXVDR-FDDCHVKYSA-N 474.586 5.202 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1F 730945845 ZMTJTXOHXNYUQJ-KSFYIVLOSA-N 480.540 5.390 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 731077234 HIFQXZRGHHUJEZ-SFHVURJKSA-N 471.538 5.398 30 20 JKED N#C[C@@H](NC(=O)c1ccc(I)cc1Cl)c1cccc(Cl)c1Cl 731196024 UGHHSKMKVPBQRF-CYBMUJFWSA-N 465.505 5.246 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C#N)cc2)c1 743524517 KAVCKWURTDMBKG-QHCPKHFHSA-N 472.545 5.166 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(Br)cc1F)C(=O)Nc1ccc(Cl)cc1Cl 745313150 ZUEKKDRLHWYFTJ-ZDUSSCGKSA-N 458.114 5.175 30 20 JKED COc1cc(/C=C(\C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)ccc1SC 746341543 BZCJJIWKUOTHJK-ZHZULCJRSA-N 461.539 5.093 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)cs1)c1ccc(F)cc1F 746349362 WOWAVAOGMZTLSD-NTMALXAHSA-N 450.470 5.188 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 747295157 NVVJHNAMSMNWGY-NDEPHWFRSA-N 484.563 5.911 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 775390517 NUBIXADCASOUKS-GOSISDBHSA-N 469.497 5.079 30 20 JKED CC(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2)CC1 837882859 RVIYMLVDPRHGNG-QFIPXVFZSA-N 485.053 5.173 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C[C@H]2CCCO2)C1=O)Nc1cccc2ccccc12 838574726 BHFMZPRXPYHSBK-JPYJTQIMSA-N 495.551 5.257 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCC)C1=O 838586084 BTGFLMKIBIGELK-HXUWFJFHSA-N 461.534 5.124 30 20 JKED COc1ccccc1Nc1nc(Cl)c(C=Nn2c(S)nnc2COc2ccc(F)cc2)s1 839415640 NZWLKMJEOHKEAK-UHFFFAOYSA-N 490.973 5.029 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccccc3Oc3ccccc3)nc(O)c2C#N)cc1 857991982 QSVGEPAAKGRRNE-QGZVFWFLSA-N 498.564 5.641 30 20 JKED CCOC(=O)Nc1ccc(NCc2cc(Br)c([C@H](C)OCOC)cc2F)cc1C#N 864039041 KCVAQPQEHHUFIU-ZDUSSCGKSA-N 480.334 5.322 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)s2)cc1 875061641 DMQWPTXXLTWBNB-UHFFFAOYSA-N 458.157 5.866 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(-c2nc(CCC(F)(F)F)no2)ccc1Cl 904868801 NWUZCEALJCIYNY-UHFFFAOYSA-N 489.878 5.405 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H](c2ccccc2)C2CC2)C1=O 914540023 NLVUHJNAGIAHEA-AZUAARDMSA-N 462.402 5.212 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccccc2OCc2ccncc2)c1 914695277 NEPUUYVFNXUZGE-UHFFFAOYSA-N 473.602 5.434 30 20 JKED CC(=O)N(c1nc(C=NNCc2ccc(Cl)cc2Cl)cs1)c1ccc(F)cc1F 914696777 NLROXWLUNDREKD-UHFFFAOYSA-N 455.317 5.536 30 20 JKED N#C[C@@H](C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 915103830 GJTFOSWIPLFTDS-INIZCTEOSA-N 490.484 5.372 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc(OCCC(=O)O)cc2)C(=O)c2ccccc2)c(Cl)c1 915987366 DJCSABVYHXDTAM-CJLVFECKSA-N 477.944 5.715 30 20 JKED COc1cc(/C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(F)cc1 916137871 IYYGZSOAGDBGDM-XFFZJAGNSA-N 452.478 5.335 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CCC(C)C)C1=O 916210468 GCMQIXWCLIYFBK-FQEVSTJZSA-N 491.560 5.303 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C[C@@H]1CCCO1 916214750 ADKMGNITMOZKEV-HNAYVOBHSA-N 492.428 5.441 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)c(Cl)c1 916217579 QJRXXAJRSWKUFA-IBGZPJMESA-N 480.417 5.217 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2ccc(Br)cc2)o1)CCCC3 916288509 IEGSNQDWJSSGFE-UHFFFAOYSA-N 454.349 5.242 30 20 JKED C=CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 916554968 MGHSXEVQZASHQP-CQSZACIVSA-N 470.532 5.326 30 20 JKED CCCCCCn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c2ccccc2c1=O 916627845 AIJCOUINHKVVNV-JOCHJYFZSA-N 470.598 5.899 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)cc1 916719666 GNNBPJCLLXEXDZ-ZUSYLBMNSA-N 498.649 5.047 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc12 916883360 JVPBUEBZISRZFS-SFHVURJKSA-N 482.537 5.671 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 916898698 HHVKQLWTASIKAH-LJQANCHMSA-N 455.366 6.247 30 20 JKED Cc1cc(C)c(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)CC2=O)c(C)c1 916909080 OUEPWXMSFFBFKC-JTHBVZDNSA-N 481.552 5.105 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 916909292 SXSDWGHOYIIEMI-RUZDIDTESA-N 481.571 6.379 30 20 JKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1 916909689 OKBZQIDZISNERO-GOSISDBHSA-N 452.967 5.089 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccccc2Br)cc1 916912852 SKCOKMKHOACXNK-QGZVFWFLSA-N 483.749 5.643 30 20 JKED C=CCn1c(SCC[S@@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccc(OC)cc1 917184136 LSKZGTWTNXUUDK-GDLZYMKVSA-N 468.431 5.346 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cs1 917560189 IUYWLDDDEWSPKH-KPKJPENVSA-N 476.533 5.175 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@@H](C)c2ccccc2)[n+]2ccc(C(C)(C)C)cc2)C=C1 917609633 KGTSDDLAKQYBIJ-IBGZPJMESA-O 474.650 5.604 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2cccc(O)c2)N=C1C 917611950 QYLOZQRNLMNGRJ-UHFFFAOYSA-O 492.665 6.244 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)cc1C 917660958 SJADMFJRZFIACQ-RBZQAINGSA-N 494.636 5.030 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2C)n1 917663051 JEMIEIIVDXRVHV-VWLOTQADSA-N 495.608 5.407 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1C 917665058 RYGSOWKJJQFRCM-LJQANCHMSA-N 493.601 5.307 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(SCc3ccccc3)cc2)cc1 917685523 FYWLQTUQSIZXBZ-PNHLSOANSA-N 479.627 5.044 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cc2ccccc2o1 917702856 IXQSBVTXHUYHEB-DEOSSOPVSA-N 480.549 5.465 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 918037002 IGSVBJVQTNQFBG-KRWDZBQOSA-N 451.419 6.201 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 920092643 CQBLNIGFVLFIRN-UHFFFAOYSA-N 477.964 5.042 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 920101514 BXUUVNQSMGINGA-OAQYLSRUSA-N 472.928 5.923 30 20 JKED N#C[C@H](C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2cc(Cl)ccc2s1 920112524 DNHOFQAUTKZVHJ-CHWSQXEVSA-N 464.761 5.486 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cc(C)on3)C2=O)cc1 920353426 JJUPYZBDIZESJM-JOCHJYFZSA-N 462.575 5.069 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)cc1F 920355049 HKDJJLPERZDHNM-OAQYLSRUSA-N 484.528 5.039 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 920676197 AAZUUMSYZRNSNC-JTQLQIEISA-N 466.371 5.163 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(=O)N(C)C)c3)CCC2)cc1 1785842348 MMEOPIAFSJSLAR-UHFFFAOYSA-N 461.606 5.129 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CSc3ccc(F)cc3F)cc2)CCC1 1786324810 AZJUPFSUVNVXAT-UHFFFAOYSA-N 456.558 5.385 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CCC2)cc1 1786365842 XHAOJVQOWPTYHA-MRXNPFEDSA-N 492.925 5.074 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OCC)CCC2)cc1 1786367300 JHHRZWPAVJFIGF-UHFFFAOYSA-N 470.997 5.469 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)cc3F)CCC2)cc1 1786367508 RKWKTXPXKFVFJC-UHFFFAOYSA-N 462.924 5.349 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1786371345 KFHJUQOWVWUZDI-HXUWFJFHSA-N 455.558 5.087 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)CCC1 1787110825 ZQIKNBUSJNRQOU-GOSISDBHSA-N 480.609 5.332 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4cccnc4)cc3)CCC2)cc(C(F)(F)F)c1 1788279024 RURHYSRQFDVQJR-UHFFFAOYSA-N 492.501 5.353 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cc[nH]c45)CCC3)cc2)c1 1790073246 VGRCPAGVAJYMPP-UHFFFAOYSA-N 464.525 5.110 30 20 JKED CCOc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(OC)c3)cc2)CCC1 1790074101 BXIPGTBVHAHRJF-UHFFFAOYSA-N 469.541 5.027 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)n(C(F)F)n1 1790136945 SBUBYSSRIQKJAS-UHFFFAOYSA-N 483.906 5.173 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)COc4ccc(Cl)c(Cl)c4)CCC3)cc2)c1 1790143958 VAVPSWFGCZCODK-UHFFFAOYSA-N 483.355 5.020 30 20 JKED COc1ccc([C@@H](C)C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)cc1 1790286722 CQGQHCHAXPATNC-LJQANCHMSA-N 453.542 5.118 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@]3(C)C[C@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1790428112 UBXZJGORARNVHU-JDITYXQVSA-N 469.626 5.026 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)cc1Cl 1790611937 PXQXEGCDUMEVHP-RDRPBHBLSA-N 497.039 5.347 30 20 JKED CC(=O)Nc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c1 1790767695 IJTUGDBGVWRIEF-UHFFFAOYSA-N 486.959 5.232 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC(=C)CN3C(=O)OC(C)(C)C)cc2)CCC1 1791681961 DRQJKZIHMUWSKN-DEOSSOPVSA-N 493.648 5.455 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(NC(C)=O)ccc3Cl)CCC2)cc1 1791729975 AGRVLTXZKVCAFM-UHFFFAOYSA-N 465.981 5.240 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(C(C)(C)C)cn4)CCC3)cc2)c1 1792123445 AXUILWYHDRTCDZ-LJQANCHMSA-N 481.600 5.463 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccn5ccnc45)CCC3)cc2)cc1C#N 1792168578 PSADFDKHEOKSED-UHFFFAOYSA-N 493.567 5.055 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1)c1cccc2c1oc1ccccc12 1792944260 WFLQRAZHSFHBOC-KOUNCHBCSA-N 482.967 5.543 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c(Cl)c1 1797872279 AATJTLLGVJMIOG-KINXCBNHSA-N 454.014 5.070 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)Oc1ccc2ccccc2c1 1799879364 QZPDTOMVZLQBFM-QEIWAGNOSA-N 460.618 5.404 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1 1800629632 OTIBUBGWJOYNOG-BKFWDETESA-N 497.680 5.298 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1802957495 AGVRSXXGQZVDQF-VSUKXTEZSA-N 486.660 5.054 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1C(F)(F)F 1803892613 QGVQDBLKNBKAOK-YEXBIGLPSA-N 496.938 5.111 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)CC2)C1 1806027980 RAMYEUOJVLZARW-GOSISDBHSA-N 497.463 5.217 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H]3CNc4ccccc4C3)C2)CC1 1809840234 HWSPIFBNUVGXRQ-ZCYQVOJMSA-N 463.666 5.051 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810271434 GDVKMLYUAWRWMT-UJDXBGKXSA-N 491.708 5.143 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c[nH]1 1810274555 KNMNOHFNUGSCKN-ATIYNZHBSA-N 492.740 5.078 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc3[nH]ccc3s2)[C@H]1c1cccnc1)c1ccccc1 1810442931 BRNQDOPCWYYAQR-WCYRKSIYSA-N 496.636 5.141 30 20 JKED CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CCCCC1 1813006536 XTOLNLWFQFZRIO-REWPJTCUSA-N 498.549 5.262 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)[nH]n1 1814828268 FEJQAGKXAVSCEH-FESMNKHTSA-N 489.664 5.300 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1815215087 DSJYOQATRDULCO-RDPSFJRHSA-N 497.599 5.226 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(OC)c(OC)c2)n[nH]1 1815504600 DZNVRRSMBGLKBM-OAQYLSRUSA-N 482.625 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)ncc2F)n[nH]1 1818283293 HJXKGHOBMJWKKG-KRWDZBQOSA-N 492.393 5.005 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1818291516 QHUCEAVXYSPCQK-JLTOFOAXSA-N 499.493 5.577 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1818660770 DKIDOQAENMXCCG-MWTRTKDXSA-N 497.555 5.417 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(F)CCCCC2(F)F)n[nH]1 1818884686 BYAFOGJYNQMKMV-HTAPYJJXSA-N 454.537 5.312 30 20 JKED C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1818959844 FHEIZDVZIXMFJO-HEFCMCLBSA-N 473.499 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)[nH]n1 1819309494 CNAPNDHHGIZOSC-PAMYYQQMSA-N 466.557 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(OC)cc2F)[nH]n1 1819554801 PRWFRZKBRGPPRA-QFIPXVFZSA-N 470.589 5.175 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2occc2NC(=O)OC(C)(C)C)n[nH]1 1820370045 YRQTUOAOFWXNFU-FXAWDEMLSA-N 497.596 5.424 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c1 1820433502 OSKPOXQVGKWLBB-QVKFZJNVSA-N 479.943 5.449 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)[nH]n2)c1 1820487083 LWSPBWGFKCOXNY-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)n[nH]1 1821006277 HJOJXEJQPXWMJZ-BVAGGSTKSA-N 476.527 5.327 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)n[nH]1 1821267862 QVCWCYDLJVIUEM-KSSFIOAISA-N 474.487 5.109 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)ccc(Br)c2C)[nH]n1 1821987753 QMMRLXIWKGUDOE-INIZCTEOSA-N 499.331 5.137 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1)C(F)(F)F 1821994071 QLSKUYCNMYUJLS-AWEZNQCLSA-N 479.261 5.280 30 20 JKED CC(C)(C)CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccccc2C#N)[nH]n1 1822116956 NNICJRGBIKIJPI-QFIPXVFZSA-N 479.625 5.349 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1823992367 PTINAFGGZMTGFX-NIYFSFCBSA-N 496.026 5.582 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccccc2OC)CC1 1824137834 PMMWAPWVIXMBHQ-VWLOTQADSA-N 452.639 5.016 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cncc(C)c2)CC1)c1ccccc1 1825196459 WWYHKFHBDAJSDU-WDYNHAJCSA-N 485.672 5.140 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)nc2)CC1 1826000988 SMNSUXNTNCSJRQ-LEWJYISDSA-N 463.544 5.102 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)c1 1826477309 YEJUGTRJMHFSQD-FNZWTVRRSA-N 478.036 5.443 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1826693190 ATBXLZUAWGQZBZ-QPPBQGQZSA-N 481.040 5.165 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1827333341 FEJCYXOHDOYOCD-HHHXNRCGSA-N 487.644 5.184 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(CC)CCC2)CC1 1830359501 XLDCPMUUFZVJBK-GOTSBHOMSA-N 489.701 5.046 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1830715816 OOCBWHWMYPISNG-HHHXNRCGSA-N 486.591 5.045 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1830769958 GNKUHKOUYFLKFU-VWLOTQADSA-N 489.019 5.549 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 1830770310 TWCPHAZMDUPCLZ-RUZDIDTESA-N 497.561 5.362 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1831370312 KVLNDJPTMAEQRJ-NHTMILBNSA-N 491.717 5.148 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831376729 RUFMXQSXFXXLSU-IBVKSMDESA-N 476.617 5.072 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1831526114 DXGYSAINJBVCPC-UTXUYHSBSA-N 478.658 5.219 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3cc2O)CC1 1831859670 GTAFCBWAPLIYSC-JOCHJYFZSA-N 485.422 5.117 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832631277 BWBQIPIWOUFTBA-HOFFIASOSA-N 473.617 5.552 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CC1 1836467143 PHQQFYGTRHAWQE-UHFFFAOYSA-N 498.470 5.310 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCCc3ccccc3F)CC2)CC1 1836708185 VGXOBHDBTCVFGN-UHFFFAOYSA-N 472.645 5.139 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC(OC3CCN(C(=O)C4(C#N)CC4)CC3)CC2)cc(C(C)(C)C)c1 1837792087 YKANDXIAWCWROO-UHFFFAOYSA-N 493.692 5.198 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3sc4ccccc4c3Cl)C2)c(Cl)c1 1843710787 LONNGMADYIEREX-UHFFFAOYSA-N 470.381 5.211 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 10170423 TZGRJLIBORZOEZ-UHFFFAOYSA-O 492.451 6.923 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082791 ALLWVAZWEKYYGM-UHFFFAOYSA-O 469.605 6.702 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nc2sc(C)c(C)c2c1=O 11148814 NMWNCBUCCXCZEF-UHFFFAOYSA-N 467.588 5.306 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11160555 FQWXGOVFDCQQCJ-UHFFFAOYSA-O 479.669 6.849 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccoc1C 11428828 FWRFOTKMHYJZOA-ZDUSSCGKSA-N 452.458 5.050 30 20 JKED N#CCC[C@H](C#N)CSc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 15237490 WRNOUBJWAPLJDG-CQSZACIVSA-N 461.900 6.142 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2cc(Cl)ccc2c1=O 16827243 NAMTYRVEQKVFIR-GFCCVEGCSA-N 467.900 5.374 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccccc1 21121970 RAAKOZLOKPKHBU-UHFFFAOYSA-N 477.977 5.279 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 21125473 WZTGLQHYJBLUTF-ZDUSSCGKSA-N 481.380 5.608 30 20 JKED CC(C)c1ccc(CSc2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)s2)cc1 22532611 FCDMNSQTZKZCDR-OAHLLOKOSA-N 454.646 5.945 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1[C@H]1COc2ccccc2O1 23592218 VKRIOVBRPXGGJB-HTAPYJJXSA-N 478.618 5.393 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)nnc1-c1ccc(Br)cc1 24015676 MMIOSNPFCVJHKJ-DLBZAZTESA-N 485.451 5.560 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)c1C#N 28491499 MZJQHKLKYARCHO-CVEARBPZSA-N 459.571 5.128 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nc2cc(Cl)ccc2c1=O 32316761 JAMNHXONLYTFGA-LJQANCHMSA-N 495.954 6.010 30 20 JKED CCCCn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(OC)cc1 36800218 VNPDMPRRFUWRKT-UHFFFAOYSA-N 455.971 5.010 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(-c2ccc(OC)cc2)o1 41647547 ZXNVFJCAXHIDPZ-UHFFFAOYSA-N 468.966 5.652 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N1CCCC1 71944562 OVRBIMDKQUZVDD-MHZLTWQESA-N 484.600 5.299 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 104740334 KLSHSQYWEQFHRJ-UHFFFAOYSA-N 489.912 5.021 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)o1 303018496 YXSGJSZGSOPBFN-NRFANRHFSA-N 498.366 5.670 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)[C@H]1c1ccc(OC)cc1 481691197 WGGBTXSCNHYBEJ-HYBUGGRVSA-N 465.619 5.226 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2)cs1 487422419 YDGFQWONNHBVGP-UHFFFAOYSA-N 462.625 5.915 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccccc2Br)cc1C 494507761 PMOPWPYWHXXTJM-UHFFFAOYSA-N 451.368 5.115 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1Cl 495125784 CNUJBZGMRYKQNA-YADARESESA-N 479.049 6.091 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1Cl 497324913 SYDHIFAEFBMFGI-CQSZACIVSA-N 477.417 5.416 30 20 JKED C[C@@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)c(F)c1 498715980 FKEIYTMPKTWDAA-GOSISDBHSA-N 499.502 5.794 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 500732976 NCJFTUHVVCQEHY-NRFANRHFSA-N 473.960 5.803 30 20 JKED Cc1cc(Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)n2c(nc3ccccc32)c1C#N 502107613 SOJPMSAIHXSDPA-INIZCTEOSA-N 471.565 5.161 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2C#N)C1 502956159 KFUMDHQYZBVHEY-AWEZNQCLSA-N 482.562 5.006 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C2CC2)ccc1OC(F)F 503280922 BTSAWEOLGZEVLC-UHFFFAOYSA-N 485.409 5.306 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCc2ccc(Cl)cc2)cc1Cl 506402120 AWIFSZUGHAYERF-QFIPXVFZSA-N 466.368 5.336 30 20 JKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510004770 HFADGIBWDWCZFM-DEOSSOPVSA-N 458.993 6.260 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(OCC(F)(F)F)cc3)c2)c1 511477293 PFOXBQJGWJNLHZ-UHFFFAOYSA-N 468.435 5.073 30 20 JKED COc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c([N+](=O)[O-])cc1OCc1cscn1 512324257 RCYNQLFDOGRLNB-UHFFFAOYSA-N 492.538 5.491 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc(F)ccc1F 512961177 GUZSBZWBQJOQOV-ZDUSSCGKSA-N 464.925 5.094 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 516841468 NZPDWUKSDKGNNC-UHFFFAOYSA-N 469.591 6.417 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)c1 517511316 GNCRDABTWAKBEA-UHFFFAOYSA-N 457.555 5.317 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 517802389 UVJRHTQAJBUFTJ-UHFFFAOYSA-N 486.597 5.169 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517820151 CZINMBBWNWHTJN-KUHUBIRLSA-N 486.786 6.059 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 518752170 IABLQVRPWKLTPW-RUZDIDTESA-N 492.044 5.307 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1Cl 519058554 IICXYPGIJOYYJH-LADGPHEKSA-N 458.949 5.091 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1 519912914 QLVKFQLVOSXOMD-IBGZPJMESA-N 469.632 5.350 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)NCc1cccc(C#N)c1 519943730 SBOUCECCFLIUCI-UHFFFAOYSA-N 452.436 5.460 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2nccn2C)cc1 519988011 AULQLZNUZZKHDK-DEOSSOPVSA-N 453.502 5.004 30 20 JKED N#CCCSc1ccccc1NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 520805470 GBFYOMIDJBPFBI-UHFFFAOYSA-N 494.414 5.888 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 521243296 QCJXJBGWFDUEBS-UHFFFAOYSA-N 496.942 5.933 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC2c3ccccc3Oc3ccccc32)CC1 522508515 HWWZEPXWPUDDTG-UHFFFAOYSA-N 466.497 5.034 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)cc2)c1 524390218 ZJSVSGBXIHELFN-UHFFFAOYSA-N 457.917 6.017 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)cc2F)c1 524460714 SXHOLIDBQYTRQA-UHFFFAOYSA-N 482.471 5.644 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4ccc5cccc(O)c5n4)CC3)cc2)cc1 524487042 LBVZWYZCVQSDIZ-UHFFFAOYSA-N 464.525 5.459 30 20 JKED Cc1ccc(-c2noc([C@@H](C)SCC(=O)Nc3ccccc3SC[C@H](C)C#N)n2)cc1F 524614170 WFJCLBUWHZBMHI-GDBMZVCRSA-N 470.595 5.869 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(-c2ccc(C(F)(F)F)cc2)no1 524614230 ZUDJKFBCXFFJTP-AWEZNQCLSA-N 492.548 5.879 30 20 JKED N#CCCSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 552998615 GQEUDVOLSGQBCY-HXUWFJFHSA-N 453.567 5.255 30 20 JKED Cc1ccc(-n2nc(C(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c3c2CCC3)c(F)c1 593039827 UWMQXTRTPRHRNJ-CHWSQXEVSA-N 463.397 5.011 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 603804141 LHCZBCOQQYJMQD-UHFFFAOYSA-N 463.585 5.592 30 20 JKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)n2)n1 603921365 URXVJMSBOFNXQV-UHFFFAOYSA-N 471.948 5.435 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)cc2Cl)cc1 604027057 AEXDJLZKGUHZRJ-UHFFFAOYSA-N 487.987 5.814 30 20 JKED COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609054181 WXUIFJJCAJVYKB-UPVQGACJSA-N 473.960 5.306 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 609060777 DSLSXAAIARZAHN-UHFFFAOYSA-N 456.933 5.596 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 609086033 JNXWISIGAXTQFY-HXUWFJFHSA-N 471.557 5.049 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)c2)cc1 609206123 FERDOEUBBUYZKM-UHFFFAOYSA-N 483.572 5.150 30 20 JKED Cc1cc(N2C[C@H](C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2=O)ccc1Br 609377512 ACRJNVMJDMAFAA-GOEBONIOSA-N 472.408 5.001 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 609377541 XYOCWUZRKBUOCZ-SCLBCKFNSA-N 491.400 5.089 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609401773 TYEAIBREVGUPMW-UHFFFAOYSA-N 490.334 5.615 30 20 JKED N#C[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cccc(Cl)c1Cl 609414661 BPMLKMCNASSYNG-INIZCTEOSA-N 464.761 5.955 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)o1 609430064 IZRFHIFBWPKVOW-UHFFFAOYSA-N 484.383 5.431 30 20 JKED Cc1sc(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)nc1-c1ccc(Cl)cc1 609438882 XPNLGQCAOIXGAL-CQSZACIVSA-N 485.034 5.421 30 20 JKED CC(C)Cn1c(SCC(=O)N[C@H](C#N)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 609602375 HHFWDBDJDKNPKJ-LJQANCHMSA-N 492.407 5.520 30 20 JKED C=CCN(C(=O)c1ccc(Oc2ccccc2)nc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 611777657 LXLOWNXPZKRUEV-UHFFFAOYSA-N 491.594 5.234 30 20 JKED N#C[C@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)c1nc(O)c2c3c(sc2n1)CCCC3 613289755 MYJYLYXJCBORHS-GOSISDBHSA-N 456.571 5.516 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cn1)c1ccccc1 613289782 UTUMODZIEJOQKQ-KXBFYZLASA-N 470.554 5.301 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)n2)cc1 613315246 FITFKHVQAJFFSA-XMSQKQJNSA-N 479.627 5.172 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 613907223 BISZELZNENLYLO-HNNXBMFYSA-N 492.979 5.286 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 614073695 QHXKMCXKEWFDDO-UHFFFAOYSA-N 491.642 5.226 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(C(=O)N(CC=C)Cc2ccccc2F)nc1 615971565 NEHWIQSTZLUJRY-UHFFFAOYSA-N 461.512 5.017 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)nnc1-c1ccccc1OC 617996351 QHJACPDJEOYSJR-MOPGFXCFSA-N 476.646 5.377 30 20 JKED COc1cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OCc1ccc(F)cc1 642196193 QVSRUFQIQIUVKJ-IRXDYDNUSA-N 479.436 6.412 30 20 JKED COc1ccc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC(F)F 642305111 GMGVBIHOMFGYRE-UHFFFAOYSA-N 473.316 5.029 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1[C@H]1COc2ccccc2O1 645079271 NYMOWDDCDSOZDC-VGOFRKELSA-N 464.591 5.221 30 20 JKED C=CCN(C(=O)CCc1cccc(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 684073616 MTYQEYKGNVQDJU-UHFFFAOYSA-N 461.008 5.019 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccsc2)C1=O 726113089 YCFRJQMYRCVMLR-LQUAGZSJSA-N 499.061 5.176 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCc3c(Cl)cccc32)cn1 726116742 JTYIDUVFBDIXJP-VXKWHMMOSA-N 494.020 5.204 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2[nH]c(C)c(C(C)=O)c2CC)[n+]2ccc3c(c2)CCCC3)c1 726573338 XRDONBZDTKKSTP-UHFFFAOYSA-O 484.645 5.559 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1OCC(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 727954331 NPNPXQQDZYOUHB-HNNXBMFYSA-N 466.868 5.660 30 20 JKED CCOc1cc(/C=C/C(=O)c2sc(-c3ccc(OC)cc3)nc2C)ccc1O[C@@H](C)C(=O)N(C)C 727973949 CGUOVXISEAUYET-QKAYDNCFSA-N 494.613 5.277 30 20 JKED COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 727986049 BZMZSYLVDVVURC-UHFFFAOYSA-N 467.481 5.243 30 20 JKED C=CCN(C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 728023471 ZABZLSRXSHTMMP-UHFFFAOYSA-N 494.573 5.576 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 728025562 KCBOCIJBQSYSQJ-PKTZIBPZSA-N 479.577 5.124 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@H](C)c1ccccn1 728421099 OTBMGWLGSOIKBI-AUSIDOKSSA-N 483.597 5.292 30 20 JKED C#Cc1cccc(N(CC)C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 728480724 IKELWRCAWFNIHZ-KRWDZBQOSA-N 473.623 5.720 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4Cl)csc3n2)cc1 728700327 OTBCJNCEHNHHQZ-BUESGFEBSA-N 468.365 6.745 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776457 BUCAQDWNRDWKNU-HXUWFJFHSA-N 499.980 5.211 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 729143937 SPOZQOAHJKABKR-SFHVURJKSA-N 488.997 5.405 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1 729323832 UERQPLKDAAELFK-QFIPXVFZSA-N 476.602 5.590 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1C 729403409 UODVNWVVBLDBHT-UHFFFAOYSA-N 459.550 5.680 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Oc1c(Br)cc(C#N)cc1OCC)O[C@H](C)C2 730468752 ZOPKOXZXNBABDG-SKDZVZGDSA-N 486.362 5.151 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1F 730695480 VGZLNSBVJCFRDO-ZDUSSCGKSA-N 473.476 6.064 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cocn2)c(Cl)c1 730720210 HURCVPUWMJKNKI-LJQANCHMSA-N 486.956 5.244 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 730945375 QTYAPDPWGBEMTN-DFBJGRDBSA-N 480.593 5.956 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1cccc(O)c1 731307909 WBKSTWMCPPFPOZ-DEOSSOPVSA-N 484.581 5.077 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cccc(N)c2C)ccc1Cl 746479386 XMQCYFIMJNSOEU-UHFFFAOYSA-N 490.412 5.518 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3csc(-c4ccccn4)n3)s2)c(C(F)(F)F)c1 747210481 FXKXYQITBCIKGX-UHFFFAOYSA-N 471.489 5.395 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)cc1 747602256 YXWPZPYJGLMZSO-HXUWFJFHSA-N 482.606 5.048 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1 747603861 ZMWKRVFLFFWZHM-HXUWFJFHSA-N 485.034 5.574 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 837382356 DHFNVRZULPKKBR-HTAPYJJXSA-N 462.550 5.251 30 20 JKED COC1CCN(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2C(F)(F)F)CC1 857446685 IFCIRKAPPAEREB-UHFFFAOYSA-N 464.381 5.731 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913118226 OXKKQRZHOUFQSK-HXUWFJFHSA-N 472.998 5.059 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccs1 915103517 WKQYZGMBIODRMV-AVIDTZRGSA-N 453.633 5.116 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104485 CKABIEVBTRFGDD-FXAWDEMLSA-N 498.530 5.356 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)cn2)cc1 916074152 MZZGAXWNGUKAOJ-UHFFFAOYSA-N 463.584 5.632 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccccc2)C1=O 916209983 XINCVBNDCNZYGP-QHCPKHFHSA-N 477.561 5.037 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2)cc1 916214182 KCNILRRKTGEHOK-DEOSSOPVSA-N 489.597 5.254 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)ccc1OC(=O)c1cccs1 916345065 SPTYYGFHMIBJLT-UHFFFAOYSA-N 470.963 5.059 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)OC)cc2)ccc1Cl 916474717 CTJLPXMNFPBADP-UHFFFAOYSA-N 499.976 5.152 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cs2)cc1 916898370 BHQOROWZAAZUCQ-MRXNPFEDSA-N 469.950 5.140 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)cc1 916915483 KNDXJWSSTKGDBL-NRFANRHFSA-N 477.561 5.752 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 916928746 SOFNGNNTSYZIPT-INIZCTEOSA-N 473.385 5.236 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)n2)cc1 916974034 DRNZPGYPJKROKX-WIYYLYMNSA-N 484.408 5.906 30 20 JKED N#C[C@@H](C(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995702 FZTAUDXRPKDJKJ-HNNXBMFYSA-N 495.347 5.449 30 20 JKED CCCCCCn1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc2c1=O 917042067 BBPLWIWIHCZPDL-SFHVURJKSA-N 498.530 6.095 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/c2cc(Cl)n3c(nc4ccccc43)c2C#N)cs1 917560369 WZOUVFATIZQLTK-MDZDMXLPSA-N 483.984 6.633 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(Oc2ccccc2)cc1)[n+]1ccccc1 917612565 ZAKWRZNDVVNHJN-UHFFFAOYSA-O 450.543 5.961 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(Cl)c(Cl)c2)cc1 917613029 JVYJHGZTBGMPGK-UHFFFAOYSA-O 483.444 6.773 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3OC)c(OC)c2)cc1F 917614098 XNYGFGLLTDYNMQ-WTKPLQERSA-N 499.922 5.419 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2cccc(O)c2)ccc1Cl 918376236 WTXHFDGBKXGBPQ-UHFFFAOYSA-N 491.396 5.010 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918545353 OZXFUTMXNFGRBR-OOJFRLDISA-N 482.606 5.251 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 919883380 COUWXTZMNSXNSU-HXUWFJFHSA-N 496.032 5.357 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2csc(CC)n2)c1 920280702 YGTNWOGIFIFFTK-UHFFFAOYSA-N 490.050 5.012 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c1 920357219 WGUOKRFDYKEQFT-JOCHJYFZSA-N 498.555 5.347 30 20 JKED Cc1c(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)nnn1-c1cccc(Br)c1 920389793 UJAZTJVMHGWCKH-JXMROGBWSA-N 475.346 5.208 30 20 JKED C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c1 920872338 AKKSSMZDWRJADF-UHFFFAOYSA-N 494.473 5.008 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CCC2)cc1 1786365803 QWBRCQJXRZYYGD-ZEQRLZLVSA-N 450.554 5.046 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccco5)no4)cc3)CCC2)c1Cl 1788420355 IEECPGWLJQYHQE-UHFFFAOYSA-N 486.915 5.521 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)coc3C)cc2)CCC1)C(F)(F)F 1788789753 NYFQDGDKJVVJMF-UHFFFAOYSA-N 460.374 5.473 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5ncccc45)cc3)CCC2)c1 1788953351 PMUPYUNALDNOPR-SFHVURJKSA-N 463.541 5.251 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cccc1C(F)(F)F 1789579800 ZOBQKVCQVXBMFH-FJEPWZHXSA-N 483.490 5.474 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)cc1 1789878423 ZHSKPQCQKNNROI-UHFFFAOYSA-N 464.447 5.034 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)cc(C(F)(F)F)c1 1790785162 QRPXGCUFZZBVGD-UHFFFAOYSA-N 487.865 5.885 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)c1 1790795140 BCCZHSBJDDEKGR-UHFFFAOYSA-N 451.517 5.440 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)c(F)c1 1790798385 TXUXWQGETBHUTN-MUFRIFMGSA-N 477.536 5.073 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)cc2)CCC1 1791198487 CMLCCNWCLNHBJQ-UHFFFAOYSA-N 480.008 5.072 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cn(-c4ccccc4)c4ncccc34)CCC2)cc1 1791574278 JCGBAMZYKRDAOJ-SFHVURJKSA-N 470.598 5.092 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1791730846 YJHGPBCIZBJJDZ-UHFFFAOYSA-N 451.570 5.690 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4)CCC3)cc2)c1 1792123887 SQOXMLQFTLDJBG-SFHVURJKSA-N 463.541 5.203 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@]4(F)Cl)CCC3)cc2)cc1C#N 1792168821 HKGYVJJKLINGOM-NLFFAJNJSA-N 469.944 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cc2cc[nH]c12 1797468709 AIWWQYOXBZVUNW-REPLKXPHSA-N 472.427 5.175 30 20 JKED CN(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)c2ccccc12 1798420021 ZVMRVPYXIALRDJ-NUNAXRQHSA-N 489.736 5.209 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cccc(Br)c2n1 1800915161 CYLITLQFZOQYFG-REPLKXPHSA-N 484.438 5.242 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)[C@H]2c2cccnc2)C1 1802418150 QREZORYZTMVUIT-OUTSHDOLSA-N 490.607 5.287 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1802496610 KXFIQNYMONMSOP-UYAOXDASSA-N 477.527 5.314 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)ccc2Cl)[C@H]1c1cccnc1 1802499091 FTJZZQNLKFNUCL-GCJKJVERSA-N 457.977 5.186 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1802959004 ZTIIVDQFYNNOND-AMOMVJEUSA-N 486.660 5.198 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1803084005 LUFVZDSJDAXCJA-NLFFAJNJSA-N 494.060 6.038 30 20 JKED Cc1sc(-c2ccccc2)nc1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](C)C#N)c1 1803678176 VCOSFRUZDRXNOB-FUJBWUKOSA-N 498.652 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1804212818 JGZDZLNOUWCABN-AVPJRLCVSA-N 496.051 5.368 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccncc4-c4ccccc4)CC3)C2)cc1 1804758150 XLSOVGMDGPUMLJ-UHFFFAOYSA-N 492.623 5.098 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1806064049 YEQFJMZSGOTDSZ-SANMLTNESA-N 489.685 5.406 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4c[nH]c(C(C)(C)C)c4)C3)CC2)cc1C#N 1807456975 DVFUCHUTEYJYPF-UHFFFAOYSA-N 490.648 5.130 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)CCC4CCCC4)C3)CC2)cc(C(F)(F)F)c1 1808954619 WDKUZGGFTNLKNM-UHFFFAOYSA-N 475.555 5.392 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1810168173 FQSZTHWAKCEMOT-MVZTWJGLSA-N 468.601 5.051 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810169249 XRDOZTUXVCIXLR-RSLSUEHASA-N 497.561 5.588 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810175375 QJAKZUMXEOZPNU-UBRZPSKVSA-N 475.658 5.470 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1810273314 ULLXUYKPZSGEPX-ZEQKJWHPSA-N 487.676 5.199 30 20 JKED Cc1ccc(C)c(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810276089 DNQZYTQYHAKAFG-IGKIAQTJSA-N 475.709 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(OC)ccc3o2)[C@H]1c1cccnc1 1810499511 YYHMYMSSGJFJFL-NLFFAJNJSA-N 475.589 5.148 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811442006 KNEKBJNFPXKMIR-IUGBQFMMSA-N 471.576 5.420 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811868504 KFDCNXPYMAENDN-REWPJTCUSA-N 498.549 5.284 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812508878 RMAHJRHDZWFJAA-URXFXBBRSA-N 487.566 5.341 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1813941863 YYFGEFLAUJYFRI-VGSWGCGISA-N 475.967 5.325 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)[nH]n2)C1 1814396910 STCIWOJUUJRVHC-DEOSSOPVSA-N 458.537 5.488 30 20 JKED Cc1c(Cl)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1814599157 DKAKJAUBSRWDCW-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc(F)c3)CC2)n[nH]1 1815617414 XVSHZVQGPPSKQW-IRLDBZIGSA-N 450.558 5.041 30 20 JKED C=CCC(CC=C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(C(F)(F)F)coc3C)sc2C1 1817673102 ZGEFKNJQRWJEDW-AWEZNQCLSA-N 467.513 5.058 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818164759 VIVCIUPLOKZBGH-UGKGYDQZSA-N 496.995 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819152544 WLTIJFMVJKJDLO-LJQANCHMSA-N 451.596 5.318 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)cc2s1 1820221250 RGAUZHHZJNKFSC-LJQANCHMSA-N 492.992 5.406 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(Cl)c3)n[nH]2)c1 1820502273 FFGFOSIATLGIQA-ZHRRBRCNSA-N 461.953 5.310 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4)n[nH]3)c[nH]c2c1 1820553359 FICVYCXVJGQOTM-MYHFBWBUSA-N 478.556 5.090 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523057 PVSHSMUXMVYDIW-HYBUGGRVSA-N 491.617 5.411 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)[nH]n1 1822401431 QDIJUFALAZXPPI-HSZRJFAPSA-N 460.603 5.584 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cn1 1823651928 KSLFIGYJMBFMDJ-SANMLTNESA-N 486.660 5.117 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)C1 1823701121 ADHQMERCIDTXOE-OAQYLSRUSA-N 452.492 5.044 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1F 1823920666 MIJGWKUVTBCRCA-DEOSSOPVSA-N 486.704 5.119 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc(C(F)F)c3)CC2)c(Cl)c1 1825404601 NJBNPGXZQLUUPQ-QFIPXVFZSA-N 486.950 5.091 30 20 JKED Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1826556766 KASZDJCKMCNRKI-RUZDIDTESA-N 482.741 5.045 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827713473 IQTBATDVTYIGMM-LOSJGSFVSA-N 475.633 5.652 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)CC2)c1 1828166119 JCALBZNQBKVAKG-FQEVSTJZSA-N 481.021 5.302 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)CC2)c(Cl)c1 1828316768 RLZVWMHYBWGCLC-XMMPIXPASA-N 474.992 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 1828822002 BYLJSPZRPMFVCF-KNQAVFIVSA-N 463.544 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1828822059 VOYFLGNYMWWIFR-RRVSEZQMSA-N 459.634 5.569 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)cc2c1 1828904925 FJTWQPSDELRMPI-MHZLTWQESA-N 491.752 5.761 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2F)CC1 1828906733 DUUAOKJKVXVBNJ-DEOSSOPVSA-N 474.668 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1829066818 UVDMAMAGGVQAQR-AREMUKBSSA-N 477.649 5.475 30 20 JKED CCCCCc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)CC2)cc1 1829778738 RWTLRZHFEDEIMJ-HHHXNRCGSA-N 474.649 5.095 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2C)CC1 1829943839 DCAQRRGHYNNZSC-RPBOFIJWSA-N 497.680 5.088 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(C)C)cc3)CC2)c1 1830057831 XDWKXXGTKVXJRI-MHZLTWQESA-N 473.617 5.237 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1830423689 VMTRDMJDXRBLPQ-AREMUKBSSA-N 481.656 5.466 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830493002 DWFLETHOKCFKRY-DVECYGJZSA-N 452.620 5.031 30 20 JKED COc1cc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1830586958 PKODVLIAUBHXQJ-AVRWGWEMSA-N 495.570 5.148 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1)C(F)(F)F 1830607653 GIVSPWIRKOTOOB-XMMPIXPASA-N 487.566 5.446 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)oc2ccccc12 1830628834 MWOMFZGKWBHTKW-VWLOTQADSA-N 469.585 5.354 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830756768 VNCWUBAARSVAIY-DEOSSOPVSA-N 499.533 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3c(O)cccc23)CC1 1831021915 CSSQVLZWRZGPIR-QHCPKHFHSA-N 463.622 5.166 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1831372763 JMQJYVDBRVIQNH-SBUREZEXSA-N 475.555 5.632 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1831506576 JEMMMTIPTMQFQL-KDYSTLNUSA-N 475.608 5.053 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1831511558 ZWECWCZFIIOFHP-AJTFRIOCSA-N 457.618 5.180 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1831848176 RRWWOALTBSWFNN-YVEFUNNKSA-N 463.858 5.198 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1832792837 AXVNEFUYDWYADM-WUZNFDRSSA-N 497.595 5.016 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 10611652 SMJMMVMJVQTGFQ-HNNXBMFYSA-N 489.414 5.344 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc3c(c2)CCCC3)c1C 10827038 PLGNMJKFAUHMFR-UHFFFAOYSA-O 497.040 5.289 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 11125881 IIMBELHFKJQLAA-UHFFFAOYSA-O 468.385 6.191 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2C)cc1 11166822 DMXUIZLLKHEFLH-UHFFFAOYSA-O 453.578 6.515 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nc2scc(-c3cccs3)c2c1=O 11380268 NIIQBNBCAKGNFL-AWEZNQCLSA-N 485.660 5.269 30 20 JKED C=CCN(C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1nc2c(s1)CCCC2 15969115 AKZFKUWCYGDLFS-RTBURBONSA-N 467.635 5.023 30 20 JKED O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)c1cc2sc3ccccc3c2s1 16058165 BWEDOTZXUHKHCP-UHFFFAOYSA-N 483.640 5.619 30 20 JKED C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccccc1 21678966 RKJIEEQFTJLQHE-ZDUSSCGKSA-N 458.358 5.216 30 20 JKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 22729823 ZNCYJDPGRTZPOP-UHFFFAOYSA-O 471.671 6.603 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(O)c2)c(C)s1 22732645 PPYYLCUDQDXIFF-UHFFFAOYSA-O 462.414 5.171 30 20 JKED C[C@@H](OC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 26848076 PAIZNWNSFVPFHY-LLVKDONJSA-N 457.964 5.069 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c1C 28695872 WHXRHDCPXZYENX-UHFFFAOYSA-O 491.420 5.453 30 20 JKED Cc1ccc(NC(=O)Cc2nc(CSc3nc(C)cc(C(F)(F)F)c3C#N)cs2)cc1 36774897 OMYJXHIIKYBWHF-UHFFFAOYSA-N 462.522 5.519 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ncccn2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 71820272 FSBVBRRQWVQXRE-NVXWUHKLSA-N 482.679 5.253 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)cc1C 108591889 SDNWTUGXNUENNO-UHFFFAOYSA-N 463.559 5.039 30 20 JKED N#C[C@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc(-c2ccncc2)cs1 195662268 YKKIUNLOPOMBQJ-GOSISDBHSA-N 466.975 5.313 30 20 JKED CC1C/C(=C\c2csc(-c3ccccn3)n2)C(=O)/C(=C/c2csc(-c3ccccn3)n2)C1 206943922 YORFGMUGJYILCX-PWDIZTEBSA-N 456.596 6.190 30 20 JKED Cc1ccc(/C=C\c2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3cccc(F)c3)n[nH]2)o1 210024955 LVZIABSCEHOLCB-KTKRTIGZSA-N 476.537 5.026 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)o1 303022075 NAYAEKWQNCBYNU-UHFFFAOYSA-N 492.362 6.275 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F 303188467 LPWYCVZJTBLLIY-UHFFFAOYSA-N 451.401 5.013 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 303217977 UDMNPGNOZOMLAF-UHFFFAOYSA-N 476.536 6.342 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nnn1-c1cccc2ncccc12 303394054 YQDKZFPQQVKQNH-UHFFFAOYSA-N 494.942 5.480 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 410197196 CQRXFPYMORSNPN-SFHVURJKSA-N 491.407 5.026 30 20 JKED N#Cc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)ccc1Cl 494983160 GDPUQBQNBDKHHR-UHFFFAOYSA-N 484.368 5.496 30 20 JKED CSc1nn(-c2ccccc2)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C#N 501745623 AUTMSTNERXZEBA-UHFFFAOYSA-N 470.398 5.756 30 20 JKED C=CCNc1nnc(SCC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)s1 504998166 IKGKVRUVMIBZQH-UHFFFAOYSA-N 497.646 5.724 30 20 JKED Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)N2CCOCC2)o1 510009978 MOVZPJKRGFQKBT-ISKFKSNPSA-N 478.980 5.092 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1ccc(C(F)(F)F)cn1 513158236 AEYSDQGSSXHUMU-QGZVFWFLSA-N 475.264 5.932 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)n2CC(C)C)cc1 514954561 BUXCWCHMBWDKKB-GOSISDBHSA-N 481.597 5.176 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl 517437399 GEXWQVBOCCXMFA-UHFFFAOYSA-N 455.310 5.819 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 517455472 KUQJBMSKFBIDOF-MRXNPFEDSA-N 486.018 5.645 30 20 JKED COc1ccc(CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H](C)C2CC2)cc1 517504378 KMHJZLSMAZIDRV-LJQANCHMSA-N 468.557 5.652 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(COc4ccc(F)cc4)nc3C)n2)cc1 517801172 YXQJWQDDFIFILZ-LJQANCHMSA-N 479.558 5.792 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1Cl 518097779 KTFRSSAZRXGXHD-JOCHJYFZSA-N 497.986 5.216 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1)c1ccccc1 518226942 QPPLJCUHFIACAJ-UHFFFAOYSA-N 471.948 5.549 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c([N+](=O)[O-])cc1OC(F)F 519507065 MOAAJVWURGSWLP-UHFFFAOYSA-N 455.373 5.121 30 20 JKED COc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c([N+](=O)[O-])cc1OCc1cscn1 520924287 SJKPCABDCBZGSG-CQSZACIVSA-N 484.559 5.285 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H](C)c1ccccc1Br 521739522 WLXAKKMKZZERJK-INIZCTEOSA-N 474.424 5.393 30 20 JKED CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1 521805220 ZOVGQVRZUNRYRQ-KBMIEXCESA-N 473.598 5.324 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4c(Br)cccc4C3)c2)cc1 522225898 DGRRPQGMJZVGHO-UHFFFAOYSA-N 476.374 5.684 30 20 JKED C=CCCC(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1Cl 522541826 XSVKAIAGCIPFBM-UHFFFAOYSA-N 454.695 5.102 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(OCc4cccc(F)c4)cc3)cc2)cc1 555341885 QVFMYYCCLZHBAQ-UHFFFAOYSA-N 495.510 5.324 30 20 JKED CCn1c(SCC(=O)N(Cc2ccccc2)c2ccccc2C#N)nnc1-c1cccc(C)c1 572748507 FJMVZBVWLOBNEO-UHFFFAOYSA-N 467.598 5.471 30 20 JKED CCOc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CN4CCC(O)CC4)c3C#N)C(C)(C)C2)cc1 582620563 JSIAHLWRADCZMX-WAYWQWQTSA-N 491.657 5.192 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(C3CC3)nn2-c2ccccc2)n(Cc2ccccc2)c1C 589047771 VIHYSTPGZQRTHN-UHFFFAOYSA-N 482.613 5.214 30 20 JKED O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)Nc1ccc(F)cc1C(F)(F)F 590336827 UCSOLLHXWHFAQI-SFHVURJKSA-N 479.396 5.058 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 603527719 XNJJKSLYGWHCRK-RUZDIDTESA-N 459.977 5.510 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2onc(CCC)c12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603728753 LMAUUUBAUVTCCR-UHFFFAOYSA-N 489.557 5.917 30 20 JKED C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603806755 GZDAMLMMJSTGEV-LLVKDONJSA-N 465.387 5.415 30 20 JKED Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 603806879 VMOUSOWPGGDIKW-INIZCTEOSA-N 452.605 5.540 30 20 JKED CSc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 603838310 CYAOTNKTCRRDII-CYBMUJFWSA-N 464.355 6.237 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3ccc(C(F)(F)F)cc3[nH]2)n(Cc2ccco2)c1C 603938353 WWRCETIMDZIVNG-UHFFFAOYSA-N 473.480 5.244 30 20 JKED C=CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 604490351 DYDMOORXJJMXKO-UHFFFAOYSA-N 459.531 5.191 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1cccc(C(F)(F)F)c1 608865260 JJTWOICUSQUMCI-QFIPXVFZSA-N 496.489 5.669 30 20 JKED COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc2)cc1 608903178 GRWOGMASFGOOPH-NDEPHWFRSA-N 491.547 5.256 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)CC2)nc1 608993228 WUZCJAPCYAXUBK-UHFFFAOYSA-N 454.559 5.020 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1cc(C#N)ccc1OC(F)F)CC2 609081542 SGMAXNOJKNRKHL-DEOSSOPVSA-N 479.483 5.356 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)cc2F)c1 609105342 UUJKKVWNMAWVJN-UHFFFAOYSA-N 499.399 5.267 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(COc4cccc(Br)c4)o3)CC2)c1 609185310 YQAYSOFAUIOJMR-UHFFFAOYSA-N 481.346 5.176 30 20 JKED COc1cc(OC)cc([C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2nccn2C)c1 609209147 SRGQAQVGZCGEDR-VWLOTQADSA-N 483.528 5.012 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)s2)cc1 609356765 BFIALSDYLKMWJJ-QGZVFWFLSA-N 497.580 5.302 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 609438265 IWJJDIPWGMYSHU-MBSDFSHPSA-N 478.017 5.773 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)n2)cc1 613318172 NIFJJVADFFVTBA-QHCPKHFHSA-N 493.654 5.562 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCC(N)=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346916 RTDHJRLWCPXWRA-CQSZACIVSA-N 462.383 5.184 30 20 JKED N#C[C@@H](C(=O)c1nc(N2CCCC2)ncc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347356 ZGJNLDGWQYQCLX-ZDUSSCGKSA-N 478.792 5.651 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 613405033 TZTPJKKGLAREPX-INIZCTEOSA-N 497.546 6.491 30 20 JKED O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 618543369 QNFHQUVGCZNVIE-HOTGVXAUSA-N 491.407 5.350 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nccnc3-c3nc4ccccc4s3)n2)cc1 642281048 CTIDUQUNTDQMIM-INIZCTEOSA-N 453.552 5.675 30 20 JKED CS(=O)(=O)Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 642281470 GGAVJBUWOLYUNZ-MRXNPFEDSA-N 465.383 5.152 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccc2Cl)cn1 726116982 OXCSRKHYHJDMBI-JOCHJYFZSA-N 496.036 5.334 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H](C)c1cccnc1)c1ccc(Cl)cc1Cl 726397883 QSEWLXBSMYUOKY-QCSWKVMHSA-N 491.444 5.179 30 20 JKED CCOc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)cc1 726570714 IVWQFZDWWYDRTQ-UHFFFAOYSA-O 450.971 5.530 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(OC(C)C)cc2)[n+]2cccc(C)c2)C=C1 726573456 FAHVXKVWMCEWAY-UHFFFAOYSA-O 462.595 5.163 30 20 JKED CCOc1ccc(-c2nnc(S)n2CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 728082090 NBZQLNUPEMAVJM-UHFFFAOYSA-N 499.596 5.112 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=S)Nc1c(Cl)ccc(C)c1Cl 728444672 JSYUYYZMNBRKFV-UHFFFAOYSA-N 456.398 6.870 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCCCC#N)C1=O 728779254 XKJRLVQDZNHVCI-OAQYLSRUSA-N 485.009 5.311 30 20 JKED N#C[C@H](C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 729187322 ZXWRDKBDRQTUDA-GDBMZVCRSA-N 495.935 5.360 30 20 JKED Fc1ccc(-c2nn(CN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2Br)cc1 729462523 HQVIBXVFFHMIAI-RYUDHWBXSA-N 474.218 5.472 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ncccc3C)C2=O)cc1 729631897 WFPCWCBLCBHUBI-HSZRJFAPSA-N 492.576 5.088 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ncccc3C)C2=O)cc1 729634854 VNAUALHUAFHKOV-XMMPIXPASA-N 488.613 5.258 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1ccccc1-c1ccccc1 729670118 MGQLFLQMOINSIK-UHFFFAOYSA-O 485.585 5.634 30 20 JKED CC[C@H](C)Oc1ccccc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 729889526 PEPXYXLLYGZTMH-CUBNLNSISA-N 454.526 6.017 30 20 JKED C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2[N+](=O)[O-])C1 731068304 ZFPVZMQWMQELPS-ROUUACIJSA-N 496.589 5.021 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(-c2cccc(Cl)c2)n1 731068700 CYGAPTVJFPMYJY-AWEZNQCLSA-N 471.991 5.511 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731303897 DJFOAZWCPKNIFF-XMMPIXPASA-N 491.613 5.322 30 20 JKED CCOc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2)c1 731305479 DDIHMWRZMZLAMC-HSZRJFAPSA-N 493.560 5.091 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1-c1ccccc1 731312997 RYWPUWKZTFLRRO-DEOSSOPVSA-N 489.597 5.056 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 731333057 WKGAFBWJQXJOPN-CQSZACIVSA-N 471.494 5.017 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S 746050625 VBGPZSNIUMNTBT-UHFFFAOYSA-N 482.053 5.827 30 20 JKED O=C1/C(=C\c2cccc(OC(F)F)c2)CN(c2cnccn2)C/C1=C\c1cccc(OC(F)F)c1 747064388 VAKILDDRLBWWIN-MXYCIJPUSA-N 485.437 5.236 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cscn3)C2=O)c1 747600353 AORBTUXEWOIUAJ-QHCPKHFHSA-N 492.670 6.044 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CC(F)(F)F)C1=O 799210860 DMPGEJMVXCICOZ-LJQANCHMSA-N 479.524 5.306 30 20 JKED CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(c3nc(-c4ccsc4C(F)(F)F)no3)C2)C1 904917261 HILZIJXLZHXNAJ-DKXWOSEQSA-N 454.474 5.071 30 20 JKED C=CCN1C(=S)N[C@@H](c2ccc(-n3cccn3)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 912817681 BHEXLZMNZHSMKW-QFIPXVFZSA-N 497.546 5.221 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cs2)cc1OC 915086245 IJQAUSMSEMDFHE-OAQYLSRUSA-N 455.539 5.735 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2C(F)(F)F)c1 915086414 UZIWSMLLSREHJP-QFIPXVFZSA-N 460.459 6.107 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@H]1c1ccccc1OC 915097850 BXZBRGAKYICIGW-XLNZFTOWSA-N 461.587 5.261 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)o2)cc1 915103917 HQNJOICITXOILE-MRXNPFEDSA-N 455.461 6.088 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl 915860385 UFRAIDRTMFXKLS-UHFFFAOYSA-N 475.911 5.652 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 915862285 JRBMCDMWWUGJHP-PKTZIBPZSA-N 475.495 5.187 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916134558 ZJHBQGKHRDIPHJ-LCYFTJDESA-N 469.459 5.936 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccccc2Br)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166601 MYKMHQLNPRLJKK-IBGZPJMESA-N 494.311 5.633 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)cc1 916211452 CSCJOQOZIGEMPZ-LJQANCHMSA-N 463.525 5.630 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1cccc2ccccc12 916217017 BFTWRZCXQIUUAM-QHCPKHFHSA-N 475.570 5.003 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CC2)C1=O)Nc1ccc(F)cc1F 916217186 HKTUWVHJZFDRAO-NRFANRHFSA-N 451.498 5.241 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C(F)(F)F)c1 916217421 MWSHRSSZLVNMEW-QGZVFWFLSA-N 469.435 5.130 30 20 JKED C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)ccc1F 916411151 AQQDNFRZEXUWFI-UHFFFAOYSA-N 496.347 5.036 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(COc2ccc(F)cc2)nc1C 916901803 ATLJLLHATNSJLB-MRXNPFEDSA-N 487.940 5.101 30 20 JKED C=CCc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1OC 916906030 ANLZTKKYFKNLTQ-OAQYLSRUSA-N 456.498 5.186 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916907921 CUNLWDUNIYEOKY-INIZCTEOSA-N 465.296 5.400 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2C)cc1Cl 916919332 WKDJCULMBVIKHC-QHCPKHFHSA-N 470.960 5.494 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)o2)cc1 917045220 WVUOFHUEMKETBW-AWEZNQCLSA-N 490.488 5.342 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2C)n(Cc2ccco2)c1=S 917457966 OTJGTEUKIZNRTI-UHFFFAOYSA-N 457.603 5.772 30 20 JKED CCOc1ccc(N2C(=O)/C(=C\Nc3cccc(OCCCC#N)c3)c3ccccc3C2=O)cc1 917602460 IRDXEXJZNYVWOL-XHPQRKPJSA-N 467.525 5.408 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2cccc(C(C)C)c2)cc1 917614803 JBWSBPHCIUVHJB-UHFFFAOYSA-O 462.639 5.978 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc3ccccc3c2)n1 917699717 FNMVVGULTBOWLU-XMMPIXPASA-N 499.571 5.238 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C#N)cc3)C2=O)c1 917704289 XOYGVCOWXXDNFP-VWLOTQADSA-N 493.592 5.207 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Cl 918293971 AHGPNLFPJGFKNQ-DEOSSOPVSA-N 499.954 5.462 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918548094 KRGWVEZXAKRFML-SANMLTNESA-N 467.548 5.968 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cs1 919637395 MJGPGUAITVTQPU-JOCHJYFZSA-N 483.977 5.500 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Sc3ccc(NC(C)=O)cc3)n2)cc1 920138691 HPBDFKGMEQBMEA-XOBRGWDASA-N 451.573 5.134 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN(C2CC2)[C@H](C)c2ccc(Cl)cc2)c1=S 920306340 YJAYVDCUFLZTFW-LJQANCHMSA-N 460.091 5.465 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@H]2c2ccccc2)cc1C 920351909 FJAVDULERZOBLU-QQSVUBKYSA-N 491.657 5.072 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(C(C)C)cc2)no1 920353942 WYXFXHLHYITIEI-QFIPXVFZSA-N 480.565 5.406 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NN(C)C(=S)NCc2ccccc2)cs1 920365118 NEQMCHLTXWNWMN-UHFFFAOYSA-N 491.564 5.187 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)n1 920766810 BYZZYRNXAYXOND-TUOAVLBBSA-N 469.522 5.113 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2c(F)cccc2F)cs1 920804744 YAZRKMGTAVSTJX-HNNXBMFYSA-N 464.497 5.322 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 920854771 PQMCHFORQBPSMP-UHFFFAOYSA-N 481.468 5.532 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2Oc2ccccc2)C1 1780297996 FTWKRFYWVADTFK-POURPWNDSA-N 488.628 5.375 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(Cl)cc(C)nc5c4)CCC3)cc2)C1 1785807429 BRGFXQZAWOHUBV-UHFFFAOYSA-N 459.977 5.911 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCCNC(=O)OC(C)(C)C)cc2)CCC1 1786563297 HVENKALUPPSVJV-QHCPKHFHSA-N 483.653 5.584 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C)nc4C)CCC3)cc2)c(O)n1 1787172971 PAPPUXMQGJNEHR-UHFFFAOYSA-N 498.627 5.298 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)c(C)o1 1787345871 FLFCXIHWYVMAJS-UHFFFAOYSA-N 481.474 5.848 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)CC(C)(C)C)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1787660059 LMIUOOGTSQLFBU-NRFANRHFSA-N 469.626 5.122 30 20 JKED COc1nccc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c1F 1788305641 JDLGJYATFUITIX-UHFFFAOYSA-N 481.644 5.028 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)cc2)CCC1 1788375073 WRXDYEPASNXLEJ-UHFFFAOYSA-N 474.511 5.324 30 20 JKED CO[C@H](C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1)c1ccccc1 1788649512 OUKLEZQNIRTLEV-MIFWMJNYSA-N 474.582 5.009 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4oc5ccccc5c4C)cc3)CCC2)c(C#N)c1 1788967662 VXMKLVJELQSXLR-UHFFFAOYSA-N 493.563 5.612 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5s4)cc3)CCC2)cc1 1788968238 NOKRXEXWPXPXTC-UHFFFAOYSA-N 466.566 5.158 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccccc3)CCC2)cc1 1789492445 CFBMZFMSOHILAA-DEOSSOPVSA-N 469.585 5.069 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790001732 ZQGLJYDOZOEMBB-UHFFFAOYSA-N 456.571 5.451 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791250531 TYWZKPKAWUNKGK-FCHUYYIVSA-N 497.680 5.760 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791252358 OYINGGZTGAKXOB-VIZSFHNOSA-N 483.653 5.416 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)CCC2)cc1 1791300183 GIJZJUXYRINERW-UHFFFAOYSA-N 492.448 5.312 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCCC(=O)Nc3ccccc3)CCC2)cc1)C(F)(F)F 1791302501 MBMXZOSHGIVNNO-UHFFFAOYSA-N 473.495 5.048 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)CCOc4ccccc4Br)cc3)CCC2)CCC1 1791478407 DUFYZFZDUUWENL-UHFFFAOYSA-N 496.405 5.046 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)C3(C)CCC(NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1791478531 HMZMWZLEFVLRKT-UHFFFAOYSA-N 481.637 5.008 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4occc4n3-c3ccccc3)CCC2)cc1 1791577105 LDHWKUUWBJSWKI-QGZVFWFLSA-N 459.571 5.290 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)cnc4s3)CCC2)cc1 1791579317 WAGMRWNIUQZVKR-GFCCVEGCSA-N 490.448 5.125 30 20 JKED O=C(CCc1ncc[nH]1)Nc1ccc(C2(NC(=O)c3ccc(C#Cc4ccccc4)cc3)CCC2)cc1 1791759142 GBZHXSQEVZTCIX-UHFFFAOYSA-N 488.591 5.190 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn5ccccc45)CCC3)cc2)c1 1792123593 KRLLDDMVYQCIGR-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792285509 GQKZGYBUYGCNPB-UHFFFAOYSA-N 483.653 5.370 30 20 JKED O=C(CCc1cc(Cl)ccc1Cl)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1 1796897683 LBRSAUTVXIAVLP-GNMMWXFPSA-N 491.440 5.065 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2nc(-c3ccccc3)ccc12 1799100005 MIGHYNRNAIJVHH-KOUNCHBCSA-N 470.617 5.474 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1801696687 VFEIJYSOAIZAQU-BJESRGMDSA-N 474.498 5.348 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCNc2ccc(C)cc2C)[C@@H]1c1cccnc1 1802499936 UNHMYQRIDKXUJT-SHQCIBLASA-N 476.665 5.199 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)c1 1803902787 PMVPJSHYENAVEQ-YFYLHZKVSA-N 490.818 5.839 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1804945698 QZPTXCGODDMDQQ-UHFFFAOYSA-N 484.427 5.261 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1806410377 NNNVKMAPDPSGLT-IAPPQJPRSA-N 469.629 5.476 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1809302635 MXGAHOCYQFVSOK-XNMGPUDCSA-N 468.601 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)[C@@H]1c1cccnc1 1810491873 HKZPCJRUPHYLCR-HYBUGGRVSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1810500921 ZZKCRXZUIXICNS-NLFFAJNJSA-N 491.035 5.595 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[C@@H]1c1cccnc1 1811410915 AGBDIMULVLRVKT-HRFSGMKKSA-N 489.019 5.058 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1812369283 FZVORUYAMXLWGK-WIOPSUGQSA-N 480.678 5.359 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1812701137 WXXSNRGWOMKKJD-KCXKOMAXSA-N 460.622 5.245 30 20 JKED CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CCCCC1 1813006532 XTOLNLWFQFZRIO-NZQKXSOJSA-N 498.549 5.262 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1813228735 FPDNVMAYUIRLMO-SKCUWOTOSA-N 479.580 5.494 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)[nH]n1 1814443056 JJIYCAMWMUCCDZ-NRFANRHFSA-N 469.536 5.468 30 20 JKED Cc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)s1 1818408907 LDDUNZWYNHLGLX-XMMPIXPASA-N 495.608 5.194 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)cc2n1 1819385333 NCJMKHSFTCLEJR-OAQYLSRUSA-N 491.668 5.216 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932769 WNBOBCATKMSKSV-FQEVSTJZSA-N 461.591 5.033 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820090276 SCXFCGUOVGWZAI-IBGZPJMESA-N 493.514 5.464 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)c(F)c3)n[nH]2)CCC1 1820239018 QAORGBNGDMIFAC-HSZRJFAPSA-N 471.536 5.216 30 20 JKED COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c(C)c1 1820659140 QBIQCTOXPMTYBB-QHCPKHFHSA-N 480.685 5.084 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1820822859 CIYLOFQRGYPBQM-CVDCTZTESA-N 490.007 5.070 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821047911 SYFVIYDAXXTDFL-QFIPXVFZSA-N 457.534 5.058 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)[nH]n1)C(F)(F)F 1821995315 VXDGYILVOJXNCV-LJQANCHMSA-N 480.556 5.152 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 1822249540 LTRXMIPAUYKIKE-MYKSZAICSA-N 485.426 5.180 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1)[C@@H]1C[C@@]1(F)Cl 1822507259 ZHIFGTZYJCIEEX-MYIHVTGJSA-N 490.966 5.040 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1822584399 NBPMAOLREPMSGP-LJQANCHMSA-N 452.555 5.263 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)[nH]n2)c1 1823212016 RUQIKGHEZPEJLC-HXOBKFHXSA-N 475.980 5.239 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)[nH]n3)[nH]n2)c1 1823219156 YACBKKBFLODBRS-AVRWGWEMSA-N 493.571 5.047 30 20 JKED Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1 1823682352 YYICVNCTSCDSJA-NDEPHWFRSA-N 471.645 5.052 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1)C(F)(F)F 1827343747 GNXNKHJQUJKHHR-FQEVSTJZSA-N 495.929 5.347 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)CC1 1827647268 DPRSSQDVOQRJAN-IBGZPJMESA-N 467.532 5.004 30 20 JKED O=C(CCCC(F)(F)F)N[C@@H]1CCc2nc(NC(=O)c3cc(F)ccc3C(F)(F)F)sc2C1 1827864899 XJAVZRIPJAHVMF-LLVKDONJSA-N 497.436 5.259 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)cc1 1828005935 IWHYORXJBAYGHV-MUUNZHRXSA-N 465.597 5.187 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360590 LIWXPHPSIQXAIY-CELHTLPISA-N 489.660 5.578 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828657166 YCDSCBVERHXFHK-HSZRJFAPSA-N 482.422 5.139 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1828745150 PCYQAHTUWXJICO-DEOSSOPVSA-N 474.992 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1828822908 NOHGXRXMHPKWON-JWQCQUIFSA-N 475.633 5.652 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnc3ccccc3c2)CC1 1828823401 GJSWCIFPTYVTTG-IAPPQJPRSA-N 473.661 5.556 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 1828882255 LHTVHJCVHVBFBN-QUKDMSEQSA-N 468.682 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)ccn3)CC2)c1 1829353213 HEOKLLIKIOXZGE-KOSHJBKYSA-N 498.549 5.275 30 20 JKED O=C(C#CC1CC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829565446 XBTUZJQXAOFIGS-MHZLTWQESA-N 479.624 5.253 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829646838 CWMWKINHEWBGNL-WBMJQRKESA-N 480.955 5.050 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1829707999 QRESEZDDUMOMFA-DEOSSOPVSA-N 481.036 5.539 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(Br)cc2C)CC1 1829784718 FXFJRJPBSSZUHW-MRXNPFEDSA-N 489.426 5.264 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)CC1)c1ccccc1 1829803576 XJKSOAFGELGIPJ-RSXGOPAZSA-N 475.633 5.229 30 20 JKED Cc1nc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)ccc2s1 1829955038 XFDVKVWEQCZWLR-DEOSSOPVSA-N 472.614 5.024 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)c(C#N)c1 1830288249 DCRULSHLMDQOIG-MHZLTWQESA-N 493.692 5.336 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1830582560 DSOHVGWXZCXVCU-CLOONOSVSA-N 495.570 5.462 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1cccs1 1830724039 RIIIBVLMUHFPCX-VGOFRKELSA-N 470.038 5.310 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1831226368 VAPUQEJYWVKHFD-LADGPHEKSA-N 455.042 5.183 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)CC2)c(Cl)c1 1831689989 CCALTGSEDRSVAU-RUZDIDTESA-N 481.999 5.217 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1831734358 LLDCQUHUMCQTFW-TYBKAHOSSA-N 468.613 5.236 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)CC1)c1cccs1 1832387756 CLXLVARPNKWJAV-LIPVSWKKSA-N 468.663 5.077 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(c3)CCCO4)CC2)c(Cl)c1 1832561236 PLTNCNXORYYVGN-RUZDIDTESA-N 492.019 5.084 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1832632809 CJZQUOHAKJEDFK-NIYFSFCBSA-N 489.019 5.386 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634333 PPOXAVAXYCRLES-QDPGVEIFSA-N 471.645 5.407 30 20 JKED CC(C)[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(C#N)c1Cl)C2)c1ccc(Cl)cc1 1841417079 YBJLPBBURQVWFG-NRFANRHFSA-N 470.400 5.122 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C3)c(Cl)c1 1845488756 YAKMCNZPOWGGRI-UHFFFAOYSA-N 482.289 5.015 30 20 JKED C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(OCc3nc(C(C)(C)C)cs3)c2)C1 1845549021 PMVMVBKDRACXEU-LJQANCHMSA-N 481.662 5.049 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCCCCC(C)(C)C)C1 1846087031 LSPHFWCBDSFXAR-OAQYLSRUSA-N 477.690 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2ccccc2c1Br 1847532197 OUMZBQHNNXVQQJ-VXKWHMMOSA-N 467.407 5.186 30 20 JKED C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 9813355 ULLICKHHQUAMKH-MARXPDLDSA-N 450.318 5.150 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1C 10173148 VXRZUWYIBLAXOV-UHFFFAOYSA-O 496.656 6.072 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccc(C)cc2)[n+]2ccccc2CC)c1C 10173413 HWUYMQRGNFSCNB-UHFFFAOYSA-O 464.611 5.017 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(CC)CC)cc2)c1 10174652 REEAPFHRKRWLSG-UHFFFAOYSA-O 462.683 6.446 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1sc2cccc(F)c2c1COc1ccccc1 10635683 KNUHHOWDJRFQTO-UHFFFAOYSA-N 466.515 5.348 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)n1 16743530 AWUWDDNMBBVPOE-KRWDZBQOSA-N 473.526 5.543 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Br)cc1 16832722 WWHJILWXHTZOFN-MRXNPFEDSA-N 471.424 5.630 30 20 JKED Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)S2)cc1F 16939110 WXPDKFFQDLQDDD-OAHLLOKOSA-N 460.745 5.342 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)c1 17980868 WHCBJYLWFYPJIR-UHFFFAOYSA-N 453.951 5.184 30 20 JKED C=CCN(C(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1nc(-c2ccccc2)cs1 19628001 GDMNIGISOOIWED-UHFFFAOYSA-N 460.584 5.281 30 20 JKED C=CCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)c1C 20833742 SFAPHKUIMSSOAS-IBGZPJMESA-N 475.618 5.185 30 20 JKED CCOc1cc(N[C@H](C)C(=O)Nc2ccccc2C#N)c(OCC)cc1NC(=O)c1ccccc1 24162155 DTNOSGXCFUVKQE-GOSISDBHSA-N 472.545 5.047 30 20 JKED Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1F 46839880 RQDCWEZRGCQXIG-UHFFFAOYSA-N 469.472 5.682 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C 59251708 APGNUJRZUKZWNH-DEOSSOPVSA-N 456.546 5.146 30 20 JKED Cc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 110443318 PMWIIKAJOXCMOP-UHFFFAOYSA-N 456.571 5.008 30 20 JKED Cc1sc2ncn(N=Cc3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)c(=O)c2c1C 245267765 MDTUIJXVCQBQTK-UHFFFAOYSA-N 465.538 5.556 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 303284833 LCVMXEBGYUCAIX-HNNXBMFYSA-N 492.523 5.720 30 20 JKED C=CCN(C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)c1nc(-c2ccccc2)cs1 476705915 IRHPWKASLAFVOH-UHFFFAOYSA-N 470.385 5.839 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1 484276072 BHIWPZHIOKCNOH-VWLOTQADSA-N 468.619 5.156 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 485801862 RDMRPMZSYUECAI-JTQLQIEISA-N 486.334 5.901 30 20 JKED C=CCN(C(=O)Cc1ccc2ccccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491058575 OVRAJZQIQQEOEF-UHFFFAOYSA-N 462.596 5.129 30 20 JKED C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC=C 493157217 QVOLFBDESJXJPQ-UHFFFAOYSA-N 479.458 5.806 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2c[nH]c3ccccc23)c1OC 503676236 GJYUOVWRINEEFA-XMMPIXPASA-N 482.584 5.940 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1Cl 504421893 MVNPFNMHHAQUFQ-HNAYVOBHSA-N 450.892 5.001 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCCC(=O)Nc1ccc(Br)cc1 507779086 XFYBDFFJDAPBRD-UHFFFAOYSA-N 491.386 5.066 30 20 JKED COc1cc(/C=C/c2ccc(C#N)cn2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 510313916 KEGCOMSHKVMQGQ-RMKNXTFCSA-N 453.420 5.169 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OCC 513653242 FATCNQBCYJKSQY-HNNXBMFYSA-N 485.993 5.607 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1 513862455 VUSUWLXYHGNGGR-UHFFFAOYSA-N 470.548 5.444 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2COCc2ccccc2)cc1 513985627 QOEZTPJMTGCDSR-UHFFFAOYSA-N 479.555 6.648 30 20 JKED CCCOc1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 518107909 JGZYUMIKDZQVPM-HSZRJFAPSA-N 461.949 5.039 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 518253001 OBRZSHNNPAFYGD-BTYIYWSLSA-N 453.564 5.126 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccccc3SC[C@H](C)C#N)c2C)cc1Cl 518660311 PZENFEKKHADESH-OAHLLOKOSA-N 453.011 5.884 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(F)c(F)cc2F)nnc1-c1ccc(Cl)cc1Cl 519132540 ZONUSWASCLKTRU-UHFFFAOYSA-N 473.307 5.586 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCCO 519992800 QWAJZFCVMLJMHN-HTAPYJJXSA-N 479.964 5.258 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 520814529 DULXLWGDWGKYKS-DLBZAZTESA-N 499.687 5.168 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1oc2ccccc2c1CSc1cccs1 521380690 SFHHLLRKLQLOPA-UHFFFAOYSA-N 497.601 7.406 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 521448986 ZGYKUEYHABFSBR-MHZLTWQESA-N 460.537 5.797 30 20 JKED CCn1c([C@H]2CCCN2C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nc2ccccc21 521813018 QWBFMELGDMRSJB-RUZDIDTESA-N 479.540 5.022 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cc2Cl)c1 524120034 ZPUJMPRBWZFWHW-UHFFFAOYSA-N 464.934 5.473 30 20 JKED CCN(CC)Cc1ccccc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524442368 FIETZBKNLZOORG-UHFFFAOYSA-N 456.590 5.609 30 20 JKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 595182291 KQELVOPENDLPSQ-DNQXCXABSA-N 488.634 5.690 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 595993083 GZIDBYIOTLASPX-CQSZACIVSA-N 485.400 5.482 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)CC1 597254188 NRDPIUCRFXPMDK-SGKRCEGKSA-N 495.052 5.394 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 603831115 IPTZAQBURYPBAQ-OAQYLSRUSA-N 482.609 6.353 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(Br)cc4)C3)cn2)cc1 604085852 CQZQAKIWTATFII-SFHVURJKSA-N 492.377 5.156 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCC2)cc1Cl 604136841 BKUCDRHBCHHCGN-QHCPKHFHSA-N 457.961 5.172 30 20 JKED C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 604554754 VBGGIFZUFROXFH-IBGZPJMESA-N 453.546 5.193 30 20 JKED COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1 613290801 MAKHUNZPELWLRZ-DEOSSOPVSA-N 458.521 5.645 30 20 JKED C=CCn1c(SCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)nnc1-c1ccc(C(C)(C)C)cc1 613932912 NXAGTXZRXLQSCB-NRFANRHFSA-N 489.689 5.163 30 20 JKED O=C(NCc1ccc(COCC(F)(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618499973 SGUVSHCTAGYGHZ-ZIAGYGMSSA-N 466.344 5.038 30 20 JKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccncc1 725820364 QWPNKYSCABMYNM-UHFFFAOYSA-N 457.950 5.017 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 726403334 ZYPJGMXSRKRJIG-JXFKEZNVSA-N 493.551 5.399 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cccc(C)n2)c1 726409445 BBNAHONRDLKMLP-HSZRJFAPSA-N 489.000 5.185 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NCc2cccc(C(F)(F)F)c2)[n+]2cccc(C)c2)N=C1C 726570284 KJWYUINAIOLPAS-UHFFFAOYSA-O 488.555 5.297 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 726573089 ZKXJGEOZSCKLCO-UHFFFAOYSA-O 469.674 6.810 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC)c(Cl)c3)N(Cc3ccco3)C2=O)c1 726889332 DZTLLWWMDRQVSL-OAQYLSRUSA-N 499.976 5.111 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 727235675 QKABBIQWIHEKRC-NWDGAFQWSA-N 452.404 5.751 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C/c2cccc(Br)c2)cc1 727355455 SEDZKFVWXKEFCI-DGXIYAMASA-N 453.361 5.517 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)c1 728776367 QAPYAWKOHVHMKF-HSZRJFAPSA-N 462.619 5.574 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1Cl 728777886 MPIVOZLNPGOYPR-HLFZHWTISA-N 489.066 5.794 30 20 JKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 729034861 BWHSKHVAOHTJQZ-QLYXXIJNSA-N 497.448 5.249 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N([C@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729144096 AZWYNLYFHOMSJP-UNMCSNQZSA-N 490.000 5.097 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3scnc3C)C2=O)c1 729144759 FEQYWJHSNJQPOM-HXUWFJFHSA-N 498.605 5.068 30 20 JKED N#C[C@H](C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1 729188773 LTXHLHBMGAZIFJ-RDTXWAMCSA-N 489.956 5.133 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(C3CCC3)C2=O)c(OC)c1 730461394 NYQJVQFCTIPSIR-DEOSSOPVSA-N 489.597 5.370 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 730664254 DSSDQLBFXLBGLC-HSZRJFAPSA-N 451.929 5.815 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCOCC2CC2)C1=O 730943521 FBLFIOOONPOKEJ-NRFANRHFSA-N 490.000 5.174 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 730995369 QAGDOCUZXVUTGS-UHFFFAOYSA-N 474.258 5.634 30 20 JKED Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNc2ccccc2SC[C@@H](C)C#N)cc1 731028866 SPXQXSRTONKCEZ-FQEVSTJZSA-N 472.614 5.227 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(F)cc1 731062223 BQOMDITUZJSITC-KRWDZBQOSA-N 476.529 5.246 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(SC(F)(F)F)cc1 731063045 MNWZTWRFILDKFR-CYBMUJFWSA-N 454.495 5.346 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1Cl 731305893 PTALEFWDRCMFSV-LJQANCHMSA-N 491.400 5.353 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccs1 731306582 AYNDFICAVZNNPW-NRFANRHFSA-N 465.600 5.177 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)c(F)c2)cc1 731306591 WHRBZOZJWLOJCH-QHCPKHFHSA-N 493.560 5.009 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C(C)C)cc1 731309139 TWAFWVJVBGSWCG-NRFANRHFSA-N 494.642 5.441 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)Cn1ccc(=O)c2ccccc21 743827519 IECZQHCXCBKXLQ-RUZDIDTESA-N 498.564 5.223 30 20 JKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cc1 747127368 SLZGRMPXKLIREL-NTCAYCPXSA-N 480.568 5.078 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cscn2)cc1 747603518 SNHXYJJNONLATM-OAQYLSRUSA-N 480.615 5.011 30 20 JKED N#CCCCSC1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)F)cc1 780041795 JXZOCEFPQKXMRY-WOJGMQOQSA-N 482.339 6.375 30 20 JKED COc1ccc(-c2nc(SCc3csc(-c4ccc(OC)c(OC)c4)n3)nc(O)c2C#N)cc1 824952910 FSSAPGZBPFRCMK-UHFFFAOYSA-N 492.582 5.162 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2C)cn1 837401406 DYQVBQKSYGWAMT-QFIPXVFZSA-N 492.576 5.007 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(-c2nc(C3CCOCC3)no2)ccc1Cl 904583192 AENHFNHQDDNAMT-UHFFFAOYSA-N 494.400 5.319 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 914541467 UJZMMXLGEQVNLP-JPYJTQIMSA-N 493.032 5.443 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914546396 OHTMYOVTKFHPCB-LJQANCHMSA-N 453.564 5.356 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@H](C)Cc3ccco3)C2=O)cc1 914692183 WWZXYYVVAZJGBS-WAIKUNEKSA-N 493.560 5.213 30 20 JKED COc1ccc(C=NNc2nc(C(F)(F)F)nc3ccccc23)cc1OCc1cccnc1 915049020 NCGFFHTVSHXCKL-UHFFFAOYSA-N 453.424 5.077 30 20 JKED O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1ccc(O)c(CN2CCOCC2)c1 916130215 LAQPQLDOWUAACI-ALCCZGGFSA-N 485.403 5.007 30 20 JKED COc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc(Br)c1OCc1ccccc1 916154573 ORKVTLTWESQIMU-WOJGMQOQSA-N 499.382 5.090 30 20 JKED C=CCN1C(=O)N[C@H](c2cccc(Br)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166813 VSRQDVQJXZBSRD-LJQANCHMSA-N 494.311 5.633 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C[C@@H]3CCCO3)C2=O)c1 916204310 BWAPHBLMNJGFBL-LAUBAEHRSA-N 490.000 5.235 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccco2)C1=O)Nc1ccccc1C(F)(F)F 916205179 IIQSZIGYEGHCOP-IBGZPJMESA-N 491.466 5.598 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 916847094 LHZFWXQYSSMJPX-KRWDZBQOSA-N 489.626 5.047 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccc(Cl)cc4)cc3)o2)c1 916883129 OSHFNOCBYHHKTL-NRFANRHFSA-N 456.889 5.327 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(NC(=O)c2ccco2)c1 916905002 HOTGGCDSNXCKQN-NRFANRHFSA-N 465.465 5.285 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)O[C@@H](C)C2 916928612 PCGIHKBKMZQLEE-MHCXUBMFSA-N 459.329 5.076 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(OC)c(OC)c2)cc1 916932729 CJNXRFHWMJYZAJ-HSZRJFAPSA-N 497.551 5.141 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)cc1C 917660557 WVPOVZXSCQHHEP-PQNGQFLHSA-N 494.636 5.030 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917700950 MRVPONYCGCSMMH-AOMKIAJQSA-N 463.628 5.133 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1I 919893834 RNKFJZCMEVIUMR-UHFFFAOYSA-N 499.264 5.424 30 20 JKED CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 920112667 GIOGBIIPLVKPQW-RDPSFJRHSA-N 474.511 5.144 30 20 JKED N#C[C@H](C(=O)C1(c2cccc(F)c2)CCOCC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 920113139 BCJCOYOYIXJYCT-FBCSTPJJSA-N 464.606 5.675 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)n2)cc1 920143294 VLEMYMIOVOVYMP-INIZCTEOSA-N 499.602 5.058 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3c(C)noc3C)C2=O)cc1 920354618 FSCPXWUXJFJFQB-QHCPKHFHSA-N 476.602 5.377 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C[C@@H]1CCCO[C@@H]1c1ccccc1 920354763 FWOQAAOBUBBSRC-BBVWWWHTSA-N 491.657 5.017 30 20 JKED Cc1ccc(Nc2nn(CN3CCCN(c4ccccc4C#N)CC3)c(=S)s2)cc1C 921030299 NTZHPBKJIXOTBP-UHFFFAOYSA-N 450.637 5.076 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)C2)C1 1781147544 SHTZKSMANMFNLX-RBTNQOKQSA-N 498.067 5.064 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3ccc(C)cc3s2)C1 1781365857 RAKNQGOHUUPHNA-YIXXDRMTSA-N 468.663 5.330 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/Sc3ccc(C)cc3)CCC2)cc1 1786371674 OCDCCPKJFJHBLQ-GJPUVDBCSA-N 450.604 5.326 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccccn4)cc3)CCC2)c1 1786963644 MBWWFXYGGYTUMX-FQEVSTJZSA-N 452.558 5.089 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3cccc(F)c3F)CCC2)cc1 1788650007 OGVWFTBMSNDXFG-VAWYXSNFSA-N 480.536 5.142 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789457942 HOXXPDPTMCFQPH-ZJSXRUAMSA-N 495.664 5.536 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1789514530 UUKLHMPFEYIBSQ-ZTKZIYFRSA-N 497.039 5.105 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cnc4Cl)cc3)CCC2)c1 1789719109 SICQXFDLWVEAFI-MRXNPFEDSA-N 476.939 5.563 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCCC4(F)F)CCC3)cc2)c1 1790072474 AKDRSEVWYOZWHN-QFIPXVFZSA-N 467.516 5.140 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4OCCc5ccccc54)CCC3)cc2)c1 1790072702 HRGSSWGEMQKLLG-HHHXNRCGSA-N 495.579 5.019 30 20 JKED Cc1cnc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#Cc5ccccc5)cc4)cc3)CCC2)cn1 1790689395 GKTIMEWSXUINQC-UHFFFAOYSA-N 486.575 5.246 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC(F)(F)C4)CCC3)cc2)cc(C(F)(F)F)c1 1790785435 NOJLGPDLUOCKKR-INIZCTEOSA-N 491.460 5.760 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5cn4)cc3)CCC2)c1 1790833885 RMLGCVHTGZONIE-GOSISDBHSA-N 464.525 5.516 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cccc1C(F)(F)F 1792168999 QAQOONVTJKYSIB-FJEPWZHXSA-N 483.490 5.474 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4cc(C)ccc34)cc2)CCC1 1792364598 ZSABVDCJXJNTMU-NBSXQYNISA-N 472.589 5.425 30 20 JKED Cc1ccc(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(C#N)c3)CCCCC2)cc1 1799604145 VOUJJEXZMUWTSS-OOSCYNTBSA-N 455.602 5.021 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc2ccc(Br)cc12 1800877833 UPHJIHFBHLHPKG-IYWMVGAKSA-N 482.422 5.018 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccccc4)c(F)c3)[C@H]2c2cccnc2)C1 1802417647 NQFWHEPDNAHLQE-KCWPFWIISA-N 469.560 5.174 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1802489906 BHAIPVJUYZLQCB-RBJSKKJNSA-N 485.628 5.312 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1802493692 XLLJILBFQMOYBN-OZXSUGGESA-N 465.613 5.242 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1802502591 JVAQJFRVJDMYAH-UGKGYDQZSA-N 491.529 5.552 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c(Cl)c1 1802779266 GGMATJKGZCRYRU-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)Cc2ccccc2)[C@H]1c1cccnc1 1803018244 ACJFGZAFENINEE-IZZNHLLZSA-N 459.634 5.125 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1803122860 MQJVFKKGKVDWHK-OASJLCFRSA-N 463.597 5.018 30 20 JKED Cc1ccc2c(/C=C/C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc([C@@H](C)C#N)c3)c[nH]c2c1 1803687932 STCDZLSDLNAYBX-MLJCPRRESA-N 466.585 5.069 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1804211852 IYEHSNSLGLAQHY-NVQXNPDNSA-N 498.067 5.592 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)C1 1806011752 UMWGPJMCNHPUOG-UHFFFAOYSA-N 494.598 5.242 30 20 JKED Cc1scc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1C 1806051247 QQAQTFORGMKYKN-RDGATRHJSA-N 481.738 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1810179090 XENSDVPQJLCXHK-IMSXRSKXSA-N 451.998 5.131 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810267075 GLEWLBGJNJRZDO-GJZUVCINSA-N 496.127 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(OC)cc3)CCC2)[C@H]1c1cccnc1 1810505103 MQIJXFYRXQXZHQ-OZXSUGGESA-N 489.660 5.210 30 20 JKED CC(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1812600421 IBYKOIGLOFHBMA-MFMCTBQISA-N 479.624 5.237 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC)cc2Cl)[C@@H]1c1cccnc1 1813903763 WGHAGJLAPDIKGG-CVDCTZTESA-N 470.013 5.056 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)c1 1814739032 MHVWSYCSYREVLG-HHHXNRCGSA-N 491.595 5.302 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)cc1 1818595633 ISZJLZRHJPJQEI-HXUWFJFHSA-N 473.533 5.255 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3Cl)n[nH]2)c1 1818744413 OJCUOTLKUHULGG-JOCHJYFZSA-N 472.936 5.036 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cc[nH]n3)n3ccccc23)n[nH]1 1818971924 XEPFEOPDGULRNN-HSZRJFAPSA-N 499.619 5.351 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819078680 JBLIJDQIRWZOMQ-IBGZPJMESA-N 452.555 5.263 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3[nH]2)n[nH]1)c1ccccc1 1819190494 PTXPKBIQHSRPKI-WMZHIEFXSA-N 485.613 5.456 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)[nH]n2)cc1 1821183401 YXJLIZUAKJATFW-OAQYLSRUSA-N 499.468 5.253 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cccnc4s3)[nH]n2)c(Cl)c1 1821277723 GVYLMEYCMLTPKW-IBGZPJMESA-N 490.976 5.164 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)[nH]n2)c1 1821325733 NXSZSTKQHHJKQR-JOCHJYFZSA-N 495.505 5.157 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)[nH]n1 1821986884 RCHNHXWEOVXQRS-GOSISDBHSA-N 461.900 5.062 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)n[nH]1)C(F)(F)F 1822288319 JEAFISBLNKDUAE-ICSRJNTNSA-N 466.479 5.099 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1822393022 MBKZZRSREWTVKP-GOSISDBHSA-N 466.891 5.191 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1822582738 WRFAEGAGQLOMES-QFIPXVFZSA-N 463.969 5.111 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)Cc3cccc(Br)c3)CC2)C1 1823703105 NRGSVAKHTBJTLX-YADARESESA-N 487.482 5.214 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F 1824836889 ILINEBDBAPNHAE-NDDJGDGRSA-N 488.472 5.457 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1824963077 YCNMDAJLIBACDL-HXUWFJFHSA-N 469.478 5.454 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(C)(C)C)c2)CC1 1825432656 IHXNIHSXLPEIDE-BJKOFHAPSA-N 451.655 5.381 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1826321182 OOUOOTYMIJSKJP-AHWVRZQESA-N 465.544 5.032 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccn4c3)CC2)c1 1827405827 LOPJWFKGSOZRIY-NTKDMRAZSA-N 474.630 5.175 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccco4)no3)CC2)c1Cl 1827416225 HCCJOTPCTRELHO-OAQYLSRUSA-N 492.963 5.007 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1)c1ccc(O)cc1 1828259920 ITYGVFJCVSCWJK-RBJSKKJNSA-N 498.623 5.569 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1828829617 KKAOUVKDPBQUDD-PKTNWEFCSA-N 477.693 5.039 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnn(Cc3ccccc3)c2)CC1 1829305424 IBZIFPHDRHCJLY-SANMLTNESA-N 476.665 5.157 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)CC1 1829673354 OCBSYPNRSJJSAA-SQJMNOBHSA-N 451.586 5.309 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829959528 VNSKDCDFXBLJMG-DEOSSOPVSA-N 480.008 5.157 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830408062 VUOGOSAGIQQJPD-HSZRJFAPSA-N 494.742 5.208 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830449234 JBDVKDBXRAWXOI-RIEVBORMSA-N 486.628 5.436 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1830625298 QNBKCXCCUIPRTQ-DEOSSOPVSA-N 480.008 5.076 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1831373365 CODGWBXHGKVWRG-UQBPGWFLSA-N 456.602 5.060 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)cc2C)CC1 1831447523 WHERNPRDVBPGQP-HXUWFJFHSA-N 483.397 5.202 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccs2)CC1)c1ccc(O)cc1 1831921028 IWIWEUCDXYDPBD-RPLLCQBOSA-N 492.685 5.203 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Br)cc4)CCC3)CC2)C1 1831948089 WXYSHCXXQWPWPJ-XMMPIXPASA-N 499.493 5.457 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c1 1832390330 FSXMQCPPEVUZCV-BCRDXEFLSA-N 461.650 5.517 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c(Cl)c1 1832660144 HHAJKNZLININHK-SANMLTNESA-N 494.035 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703144 CXJRHUKMLSAQIZ-VWLOTQADSA-N 479.665 5.571 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)CC1 1835820223 XYIFFOYTMJSHKJ-UHFFFAOYSA-N 497.577 5.022 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)C2CCC(C(F)(F)F)CC2)C1 1841799084 JVPKLJYPLXVPPM-UHFFFAOYSA-N 480.424 5.030 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)Cc1c[nH]c3ccc(OCc4ccccc4)cc13)C2 1844204778 NNRQZAGIAGDQNO-SANMLTNESA-N 497.639 5.261 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccccc2Oc2cccc4ccccc24)C3)cc1 1844929388 KZFJFHKAXALQTK-UHFFFAOYSA-N 487.559 5.635 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2cccc(Br)c2)cc1 11084560 PWFYLEHINNGXAB-UHFFFAOYSA-O 474.831 6.003 30 20 JKED COc1ccc(-c2nnc(SCc3ccc(C#N)cc3F)n2C2CCCCC2)cc1OC 11317554 XVYDGRHXIFTRAJ-UHFFFAOYSA-N 452.555 5.771 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)nnc1-c1ccccc1OC 21729503 MIQKEWRYUFPFCS-UHFFFAOYSA-N 461.587 5.970 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)NCc1ccc(OC)cc1 22692518 FNZUIYCBRSVQDB-UHFFFAOYSA-O 474.433 5.581 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@H]1COc2ccccc2O1 23517632 PKSPYCGMVYBANR-ORAYPTAESA-N 491.400 5.403 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc3c(c2)CCCC3)c1C 28793414 KHLOTESOMYUONE-UHFFFAOYSA-O 460.623 5.360 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OC(F)(F)F)cc2)cs1)c1ccc(F)cc1F 69646251 VWYVHUWZVBNBCC-WEVVVXLNSA-N 468.403 5.901 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cc(C4CC4)nc4onc(CCC)c34)nc2C)n[nH]c1=S 117125402 JHWWRIYDUMUNBX-UHFFFAOYSA-N 481.607 5.177 30 20 JKED C=CCN(C(=O)Cn1c(C)c(C)sc1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 195642203 ITOIRMKSOGHZPJ-UHFFFAOYSA-N 454.404 5.176 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)COc1ccccc1OCC(F)(F)F 303203733 PGTGXZWSUGASDY-UHFFFAOYSA-N 456.420 5.618 30 20 JKED Cc1c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nnn1-c1ccc(OC(F)F)cc1 303366133 IPAKSMAMRVFSDN-UHFFFAOYSA-N 491.473 5.031 30 20 JKED Cc1sc(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc1-c1ccc(Cl)cc1 409540233 ZSVGMIGZDSUMFP-UHFFFAOYSA-N 494.020 5.204 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)c2)c1 476142383 HFUNYJPUGQYLHC-UHFFFAOYSA-N 492.457 5.208 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc2ccc(OC(F)(F)F)cc2[nH]1 478975827 LPVAIFBHCIESFP-UHFFFAOYSA-N 452.282 5.522 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481199548 LXKGMFXRZHECIL-UHFFFAOYSA-N 486.330 5.180 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(CN4CCCC4)cc3)cc2F)c1 481652070 CCDXYLCGFNGJIE-UHFFFAOYSA-N 458.537 5.194 30 20 JKED COc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1OCc1ccncc1 482784938 CERGKLABOIIYBH-UHFFFAOYSA-N 451.482 5.585 30 20 JKED C=CCN(C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc2c(s1)CCCC2 499314352 IAPQBFYFXGBPMJ-UHFFFAOYSA-N 462.600 5.683 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1 505128707 FALNERVSURTMFT-KRWDZBQOSA-N 463.563 5.363 30 20 JKED COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 506308124 OTHKFSDOWVDQGF-AUSIDOKSSA-N 474.992 5.652 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CCC2 509715989 PRXWCPULTBLCNU-BWCLHNGZSA-N 499.611 5.759 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 511608147 ZSPFBLZRVCXSJI-DEOSSOPVSA-N 461.949 5.530 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)n(C2CCCCC2)c1C 514519703 MYKCORUIYZXINI-UHFFFAOYSA-N 487.427 5.246 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 515451080 AJNIHJONPOWLDW-UHFFFAOYSA-N 492.354 6.147 30 20 JKED CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cc1 516020166 MFLZXBSLFVADPS-UHFFFAOYSA-N 497.473 5.365 30 20 JKED CN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517315926 MGXRHUJUERKTBK-UHFFFAOYSA-N 498.764 5.364 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c3c2CCCC3)cc1 517464890 KULKRYCCXNNPOL-QFIPXVFZSA-N 463.566 5.545 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nc(C(C)(C)C)cs1 517468278 LCBJJBFIIGGTLG-GFCCVEGCSA-N 484.569 5.281 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 517800838 LKAAVDFXOQJXPS-KRWDZBQOSA-N 456.951 5.760 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1nc(-c2ccncc2)cs1 517891280 SAZRRNBSZONZHD-MRXNPFEDSA-N 493.342 5.303 30 20 JKED C[C@H](NS(=O)(=O)c1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1)c1ccccc1 518207446 KMOKUODBDOIOQL-YCRPNKLZSA-N 488.396 5.028 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c1C 518662565 JXTAOZGRGFMFIQ-KRWDZBQOSA-N 476.602 5.099 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(C(=O)NCc4ccco4)c3)cc2)c1 518754584 SPKNZSBFQKCBIG-UHFFFAOYSA-N 466.497 5.195 30 20 JKED COc1ccc([C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2ccc(C)cc2)cc1 519175844 HBZWXBYGUHAITO-HHHXNRCGSA-N 455.558 5.218 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 519424901 IYAYBMYIFHOKFH-ZDUSSCGKSA-N 462.427 6.550 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)cc2)c1 520917095 MEXHOQNTDHTRIP-UHFFFAOYSA-N 467.382 5.341 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 521719599 JFIJSCMJAXLKCZ-QGZVFWFLSA-N 478.643 5.637 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 521813093 UYQLOZVXANFJSO-SFHVURJKSA-N 459.571 5.667 30 20 JKED C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1 523792514 ADMMGGKYJVLGPI-UHFFFAOYSA-N 457.939 5.241 30 20 JKED CC(C)(CNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cccc(C(F)(F)F)c1 524040403 BEGUUIQYZZGODE-UHFFFAOYSA-N 474.380 5.152 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)n(Cc2ccco2)c1C 589975346 SGJULFALNLHJNG-UHFFFAOYSA-N 466.950 5.657 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Oc5cccc(C#N)c5)nc4)nc(O)c23)C1 603627105 QVGIIEKMKDBNBP-HNNXBMFYSA-N 485.569 5.152 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603765370 WQLFFVGSJPAISQ-UHFFFAOYSA-N 457.921 5.383 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cn1 603829256 NZZIJINLSVZMPW-UHFFFAOYSA-N 497.511 5.272 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2cccs2)cc1 604137893 ASVAKTZVDBKOKQ-SANMLTNESA-N 496.592 5.775 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)COc1ccccc1C#N 604449340 AMHXOPCSPCZYLO-UHFFFAOYSA-N 453.420 5.155 30 20 JKED CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604459688 JEWOQMZBYHDJPC-UHFFFAOYSA-N 492.417 6.537 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 608935995 MWSVVFKBCYIPKX-UHFFFAOYSA-N 498.602 5.503 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)cc1 608960737 XSKHGFCJXAFICK-SANMLTNESA-N 457.530 5.201 30 20 JKED COc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(Br)c1 609060369 AITNQXHJPNJZBA-UHFFFAOYSA-N 451.320 5.469 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nc(C2CC2)no1 609079735 JXVHYKCDGSIUIM-NRFANRHFSA-N 465.941 5.570 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Cl 609087446 PYXOMDILULMMCF-SFHVURJKSA-N 461.949 5.257 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Cl)sc1Cl 609379087 RCKNAIPIJHXVCA-UHFFFAOYSA-N 461.339 5.880 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)c2)c1 609399331 TUJINLNGQGLWRJ-AREMUKBSSA-N 463.541 6.051 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 609428501 QUSTXDMDELYCTR-GOSISDBHSA-N 465.600 5.158 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 609435103 PECMSDANBJRABZ-GOSISDBHSA-N 480.615 5.203 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1)C1CCCCC1 613290702 KHLWSMVMIGHDHU-QFIPXVFZSA-N 457.599 5.608 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccco1)c1cccs1 726420210 HTFHWPSISIMVIT-DNWDKJSTSA-N 475.542 5.209 30 20 JKED Cc1cc(C)c(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1C 726571103 CQHMCWYJZBFOJS-UHFFFAOYSA-O 474.650 5.703 30 20 JKED COc1ccc(/C=C\c2nc(C)c(C(=O)/C=C/c3ccc(OC)c(OC)c3)s2)cc1OC 726848392 PLAIDPNAOUANOQ-ONRCZQTBSA-N 451.544 5.552 30 20 JKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)N1CCOC1=O)c1nc(-c2ccc(Cl)cc2)cs1 728412842 XUAXGFGDDPHSHR-QUCCMNQESA-N 451.935 5.223 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)cc1 728779340 YPIXXFDCWFTGHL-FQEVSTJZSA-N 454.983 5.303 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)cc1F 729145336 KJTPLNKLVKFQDL-IBGZPJMESA-N 468.579 5.060 30 20 JKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccc21 729413018 WGEVLZGUFSIHSY-UHFFFAOYSA-N 473.529 5.670 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)c1 729635003 ZAOJSNCBWIISFO-HSZRJFAPSA-N 458.587 5.167 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc2)cc1 729891337 DUQCTUZCGDQWFS-SFTDATJTSA-N 473.985 5.996 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730715120 JLEQTKJNZZJJLN-NRFANRHFSA-N 482.993 5.414 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 730952081 LBTHJFUGIYEMNM-ZDUSSCGKSA-N 493.104 6.299 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCOc3ccccc32)c1 731171840 MPTZTCRMEIWKLP-IBGZPJMESA-N 497.016 5.017 30 20 JKED N#C[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1cccc(Cl)c1Cl 731195737 NOKSBISUTHDEKP-KRWDZBQOSA-N 453.416 5.622 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c(C)c1 731309050 RYSSNYQWZVYSIG-XMMPIXPASA-N 495.645 5.319 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N([C@@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731310833 RAVSAGYPOKZZTG-DHIUTWEWSA-N 493.535 5.318 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747598465 BJLSLJCWVZJNBH-SFHVURJKSA-N 474.970 5.096 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cscn3)C2=O)cc1 747603486 SFFIZUBAMFVCRA-NRFANRHFSA-N 498.605 5.150 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(-c3cccc(Cl)c3)no2)n(Cc2ccccc2)c1C 748925163 QDNOZFZVFWFKND-UHFFFAOYSA-N 488.931 5.129 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 748986594 XLFBOKNSXBGPKA-UHFFFAOYSA-N 484.984 5.773 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1C 799215798 PHFCAPOISNRPNU-GOSISDBHSA-N 460.386 5.204 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](C)CCc2ccco2)C1=O 837514234 HUKYWWFELBCHST-FDDCHVKYSA-N 477.586 5.270 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccc(C(=O)O)cc1 840075877 CLDQTYCIZYPGCP-SANMLTNESA-N 494.551 5.053 30 20 JKED C=CCc1cc(OCC)ccc1OC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 864094978 RMGYPKVRPOBFBV-HNNXBMFYSA-N 458.605 5.368 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)c2C#N)C1 887594917 DZHURPXRGHSBKF-MRXNPFEDSA-N 467.616 5.218 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1C 914680061 LOOSPWNPFHKOMQ-UHFFFAOYSA-N 475.492 5.344 30 20 JKED FC(F)Sc1ccc(NC(=S)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 914707617 XAJXGWZFZKWDDM-RKDXNWHRSA-N 452.436 6.197 30 20 JKED C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 915763379 BJCAPHDJLDDFCF-SGQNLQFHSA-N 494.639 5.075 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CCCC2)C1=O)Nc1ccccc1Br 916205778 LODXFSXCMFWEFN-IBGZPJMESA-N 490.398 5.491 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2cccc(C)c2)cc1 916207405 XASTXEWYAVZPEA-XMMPIXPASA-N 489.597 5.173 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CC2)C1=O)Nc1ccccc1F 916214132 KVSHCEXDBNUPTE-KRWDZBQOSA-N 452.338 5.255 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916931785 OCJQVKDWPDDLJI-SFHVURJKSA-N 480.326 6.097 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(C)c1 916945475 BPJVIJHBUXOAIA-GOSISDBHSA-N 488.400 5.020 30 20 JKED COc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 916950770 CTEGGFFCKSYAOR-UHFFFAOYSA-N 468.465 5.210 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 917380137 WFNMHTRGPMZCEJ-JOCHJYFZSA-N 473.989 5.264 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc(OC)c1OC 917561677 JZGUAMXRGKYQFW-JXMROGBWSA-N 472.950 5.403 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 917562054 DARUVNUSPAKLDF-LFIBNONCSA-N 497.642 5.063 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1 917664018 ARFGBHVCELXFNR-HSZRJFAPSA-N 454.555 5.027 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccsc1 917665357 WZQDPQCXXUTLRJ-FQEVSTJZSA-N 453.564 5.356 30 20 JKED N#CCCN(C(=O)COC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)c1ccccc1 919411193 YXIDBLQITHNXLD-XMMPIXPASA-N 493.357 5.059 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)n1 920327725 NOUFYBWIWWLOFS-HXUWFJFHSA-N 473.554 5.286 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 920368926 QSTKGTLOOYAUAW-UHFFFAOYSA-N 476.436 5.184 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCCCS(=O)(=O)c2ccc(F)cc2)cc1 920490586 QWAIQMLBWFSKQM-UHFFFAOYSA-N 469.559 5.010 30 20 JKED COc1ccc(-c2cnc(COC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)o2)cc1 920889081 NBCFLVPFGZDFNV-UHFFFAOYSA-N 499.548 5.310 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 921255093 WRIXPSSGVDSSMW-QFIPXVFZSA-N 471.598 5.220 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2ccc3ccccc3c2)C1 1777782637 VEGBQHWUXHZFCK-ZSADTWRWSA-N 497.639 5.242 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ncccc45)CCC3)cc2)cc1 1785881587 CWUJZHDOMDKXEJ-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(OC)cc4)on3)CCC2)cc1 1786366245 UEZBCWKOJAILOY-UHFFFAOYSA-N 489.572 5.081 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c(Cl)c1 1786708522 ORADPXLXOQQFFZ-UHFFFAOYSA-N 473.960 5.211 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)F)no4)cc3)CCC2)c(Cl)c1 1788308774 GWCYFTVPFAFAAL-UHFFFAOYSA-N 470.863 5.199 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788367151 CBFPTCUBAWGELT-UHFFFAOYSA-N 461.949 5.546 30 20 JKED Cc1snc2sc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CCC5)CCC4)cc3)cc12 1788418679 XNEIJCGQEBPGSR-UHFFFAOYSA-N 450.589 5.108 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)c[nH]1 1788815895 VTJQFMAVVKOQND-UHFFFAOYSA-N 477.362 5.019 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789153359 BTVPHOSVRYIBFL-ZQMYSKGWSA-N 467.997 5.379 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C34CCC(NC(=O)OC(C)(C)C)(CC3)CC4)cc2)CCC1 1789216557 UGOBCPOJFFRORS-UHFFFAOYSA-N 481.637 5.314 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)ccc1Br 1790147132 KLHLWNUZBRRROR-UHFFFAOYSA-N 477.362 5.019 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cnc5cc(Br)ccc5c4)cc3)CCC2)C1 1790910585 CVCSHHPGFMNARO-UHFFFAOYSA-N 490.401 5.711 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)C[C@@H](C)Oc4ccccc4)cc3)CCC2)c(C#N)c1 1791145561 HWBNBGLDGKREGY-OAQYLSRUSA-N 497.595 5.101 30 20 JKED C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1)c1ccccc1 1791340097 UESMDGUYARELMC-NRFANRHFSA-N 467.569 5.265 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)OCO5)CCC3)cc2)c1 1792123554 ISJHXNWGWAXICA-GOSISDBHSA-N 467.525 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nnc(-c5ccccc5)o4)CCC3)cc2)c1 1792124870 NGHMTGUOPNHNII-IBGZPJMESA-N 491.551 5.425 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1 1792171426 NIYMMXNMPUIXJL-UHFFFAOYSA-N 492.469 5.102 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCC[C@@H]4NC(=O)OC(C)(C)C)cc3)CCC2)C1 1792209658 QELXFCVHAMZVMC-GOTSBHOMSA-N 481.637 5.170 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792384930 MUUFWMHRDQRTFY-UHFFFAOYSA-N 495.664 5.536 30 20 JKED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)cc1 1793210677 JJIDIAAKZWGFSH-ZKHWXBFQSA-N 490.047 5.366 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]n1 1794797216 BKMMPEXLYMHEMK-REPLKXPHSA-N 486.538 5.116 30 20 JKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(C)(C)C)cc1 1798330113 BGIKGDWLPJUNIZ-KIHHCIJBSA-N 497.680 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1Cl)C2 1798334165 NVTBTNCMNZRDEZ-SFNKJDCFSA-N 484.946 5.301 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(Cl)cc1F 1803875338 HKQUNYNIBNEBSH-BJWYYQGGSA-N 483.487 5.435 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C2(C(F)(F)F)CCC2)[C@H]1c1cccnc1)c1ccccc1 1806973435 GUJJOCNHYZNQMS-KMDXXIMOSA-N 497.561 5.017 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)oc3cc(O)ccc23)[C@H]1c1cccnc1 1809277495 HODJJHLXZFXVNG-CJFMBICVSA-N 475.589 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810112295 TVAHRAJGRNPFHE-KTDPBYDISA-N 469.676 5.098 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)C2)CC1 1810243790 JEKFPQZQTCONHH-QFIPXVFZSA-N 495.067 5.652 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1810443085 FBWGACIWCUNZND-BIYDSLDMSA-N 469.629 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(C)c3[nH]2)[C@H]1c1cccnc1 1810498694 PDGIRODMDKZAHK-DHLKQENFSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1810502637 KVDOFCQDYIXMLF-LAUBAEHRSA-N 490.431 5.406 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811270555 AFUCCJKJIFKGMM-QOAWAWRESA-N 470.617 5.021 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3c(-c4ccccc4)cn4ccccc34)[C@@H]2c2cccnc2)C1 1811336568 XVEHBWKJVDZLBG-OUTSHDOLSA-N 490.607 5.287 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1811749249 PSNLSMPAWMFQFE-CNPGNWEMSA-N 487.003 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1812235154 NVSSJFJPIAQQHP-NTKDMRAZSA-N 479.024 5.528 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1813056512 USYDZZHGXJOHNP-NLFFAJNJSA-N 494.517 5.058 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)[nH]n1 1814442023 LHMQTIBKWURKMF-QGZVFWFLSA-N 451.493 5.055 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938415 MQHRYFUUBQNDJV-LXBDKUERSA-N 488.032 5.296 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1815244371 XTCXWJJXXXMFTD-UYAOXDASSA-N 493.555 5.170 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)n[nH]1 1818160471 CLOGRJFKMLZQPH-JOCHJYFZSA-N 491.592 5.372 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213955 RVAHTMDSPRLJMV-DYESRHJHSA-N 491.558 5.885 30 20 JKED CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4c(Cl)cccc4s3)sc2C1 1818574455 GPTAYLLTQDAPGU-OLZOCXBDSA-N 491.038 5.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(SC)c2O)n[nH]1 1820191110 DRLWVKJELPAEIB-SFHVURJKSA-N 456.612 5.136 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)c1 1821028818 MNCFJLSCAKNAHQ-JOCHJYFZSA-N 497.933 5.152 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)ccc(Cl)c2O)n[nH]1 1821266313 IZFSFLVUQAICCN-KBXCAEBGSA-N 477.392 5.496 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1 1821989725 GCIUOKPYHJKLAH-KRWDZBQOSA-N 470.442 5.254 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822021132 ZUPMAHAHQNEMNB-FBPBVXOASA-N 468.718 5.279 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)[nH]n1 1822398827 IMKGEDQQWHJOJW-FQEVSTJZSA-N 467.367 5.207 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)c(F)c1 1823292565 PEGQGDDHXXUENF-HSZRJFAPSA-N 489.551 5.136 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823303110 KQBLPHRXGFYTRD-QGZVFWFLSA-N 471.385 5.081 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1823718893 WYDDDXGYMGLHGW-XDKREJCVSA-N 461.631 5.265 30 20 JKED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1 1824420006 IRZLECMTDDSGKL-HNNXBMFYSA-N 477.611 5.188 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)c1 1826400005 CFUVGBYAACQVMW-LJAQVGFWSA-N 495.623 5.196 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826439270 QBDWGHMFQPEXMT-URXFXBBRSA-N 493.475 5.760 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)ccc(F)c1F 1827684626 KUMNPFWOKACPGQ-LCCNJJIFSA-N 486.584 5.007 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)c2[nH]1 1828212752 QFZQEBDBNITNCE-DEOSSOPVSA-N 489.019 5.549 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828252747 WFIALEKJOCQGNA-DEOSSOPVSA-N 465.663 5.606 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1828824720 PDSQGRDPQCAGBB-IGKIAQTJSA-N 477.649 5.107 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CNc3ccccc32)CC1)c1ccccc1 1829032205 GFNHHRWFNVVYPZ-BOSLPAGOSA-N 483.656 5.013 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2Cl)CC1 1829216948 PFPZVRKDOUPEFV-QHCPKHFHSA-N 474.121 5.019 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1829455532 RXBDZKALGHOFCD-JOCHJYFZSA-N 485.415 5.116 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829621540 MMCPLTNVQGNBEN-KCWPFWIISA-N 499.655 5.431 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c(Cl)c1 1829972387 KPDRRXAWQSPPNQ-HSZRJFAPSA-N 470.400 5.412 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1 1830057281 KURSMXKDUVPENK-MHZLTWQESA-N 475.608 5.297 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1831446997 BMQLDQKZHOMFSX-HXUWFJFHSA-N 472.498 5.459 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1)c1ccc(O)cc1 1831929435 XCRHBKFCQZVPIK-SQHAQQRYSA-N 476.661 5.089 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1831949332 UASRUSQPSJNNJR-REWPJTCUSA-N 491.047 5.418 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832635927 YZWXPFUJPRGLBP-BCHFMIIMSA-N 494.035 5.523 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832683727 UEJSXKKWCQXPOD-MUUNZHRXSA-N 485.628 5.203 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cccc1C(F)(F)F 1832700361 YCYWFYDCZDXWBL-RTWAWAEBSA-N 470.601 5.202 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1845255138 GYVROEIUXVYZTG-NRFANRHFSA-N 485.584 5.250 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cccc(OC)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 11262211 WPSCDQWKMPZDNV-UHFFFAOYSA-O 483.613 5.633 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(Cl)cc3)n2)nnc1-c1ccccc1OC 11810768 MDYQEPSUKXKHFC-UHFFFAOYSA-N 485.034 6.121 30 20 JKED COc1ccc(Cl)cc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)[nH]1 16797553 AXIUDOKOJYDEDV-LBPRGKRZSA-N 488.038 5.455 30 20 JKED C=CCNC(=S)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 18141538 GSDFSGROCYFPOP-UHFFFAOYSA-N 450.611 6.496 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3sc4cc(F)ccc4c3Cl)s2)cc1 20968793 YBEXOULMBYWSDX-UHFFFAOYSA-N 460.968 5.962 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 21176587 VJVVAQQJNNULOB-UHFFFAOYSA-N 457.580 6.355 30 20 JKED Cc1ccc(-n2c(SCC(=O)N(CCC#N)CCC#N)nnc2-c2ccc(Cl)cc2)cc1Cl 22529672 CEKPKDLQGBINCV-UHFFFAOYSA-N 499.427 5.298 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1-c1ccccc1 23413083 KGOIQBUAJVPOTJ-QGZVFWFLSA-N 450.589 5.284 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(Br)cc1 24015664 WWCCZRGWTSAPRS-INIZCTEOSA-N 499.478 6.138 30 20 JKED CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2C[C@@H]1C 28679398 LHTYBCQMRXADLM-HJPURHCSSA-N 479.989 5.094 30 20 JKED C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1[C@@H]1COc2ccccc2O1 28963745 UGWSRCCLGYIWPG-FQEVSTJZSA-N 466.950 5.577 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C)o2)ccc1Cl 29271499 PHSXDNDFNMIBLO-UHFFFAOYSA-N 476.957 5.034 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2N(C)C)nnc1-c1ccc(Cl)cc1Cl 33122419 FJRKVBMMOUNEND-UHFFFAOYSA-N 462.406 5.235 30 20 JKED COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 107647732 SIZGNCLDDLQJBU-HXUWFJFHSA-N 495.919 5.190 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 195664249 HBRKNIJPLDKTER-OAHLLOKOSA-N 459.333 5.786 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1c(F)cccc1F 302764750 AVPGWBOZCKYFJI-ZDUSSCGKSA-N 464.925 5.094 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 409538895 QZJGLACKRVIMQT-UHFFFAOYSA-N 479.365 5.173 30 20 JKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 476508909 ILXPDYMUALBLSB-VWLOTQADSA-N 455.558 5.579 30 20 JKED Cc1c(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cnn1-c1cccc(C(F)(F)F)c1 478957153 SLYGMKZXKPGYFA-UHFFFAOYSA-N 477.336 5.655 30 20 JKED C=CCN(C(=O)CCc1ccc(Cl)cc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 479560316 FNEWKNFTQNDSPL-UHFFFAOYSA-N 495.453 5.672 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)c1ccc(C#N)cc1 480998383 HZKWXTJAFKMTHV-OAHLLOKOSA-N 453.420 5.185 30 20 JKED C=CCn1c(SCC(=O)N(C)c2cccc(OC(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 483981675 PDGBUKLROXFBBR-UHFFFAOYSA-N 482.915 5.438 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN1c1ncnc2sccc12 484276075 BHOWOOVDHBEKAB-HSZRJFAPSA-N 469.570 5.058 30 20 JKED COc1ccccc1N1CCC(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 492935820 ICLGJWFUPXZKFN-UHFFFAOYSA-N 457.599 5.258 30 20 JKED COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)cc1OCCCC#N 493913154 UOILCGBKCQMDKN-XMMPIXPASA-N 465.912 5.941 30 20 JKED CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 498815433 KLACELFPNTYCHN-UHFFFAOYSA-N 479.627 5.181 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 501147541 JLFCHVTVXWPDKV-UHFFFAOYSA-N 463.896 5.191 30 20 JKED O=C(C[S@@](=O)Cc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 501202312 SBXNZFZQIYNZPA-HKBQPEDESA-N 477.348 5.630 30 20 JKED N#C[C@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc(-c2c(F)cccc2F)cs1 501366423 WDKKCVLWBDRIMF-CYBMUJFWSA-N 481.915 5.690 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1NC(C)=O 502385999 NCYKFRODMWSOCB-UHFFFAOYSA-N 464.909 5.293 30 20 JKED C[C@H](Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)NC1(C#N)CCCCC1 507524317 BOKRIHASVNZFKK-INIZCTEOSA-N 458.484 5.101 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1 508129720 BVOIGMXAMYGCNG-UHFFFAOYSA-N 451.979 5.838 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 508274648 NPBZJUZETBUUJY-ILBGXUMGSA-N 461.493 5.540 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccccc3)c3nccs3)cc2F)c1 509942499 JJAPRCDMLXLPCM-HSZRJFAPSA-N 458.518 5.644 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1Cl 510009486 JLERDQJBAMMSGO-SFHVURJKSA-N 484.869 5.379 30 20 JKED Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)nc1 510041491 DVLTWTLDNLRHJI-REWPJTCUSA-N 487.991 5.582 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)nc2ccccc21 510087353 RLHYMEXHSPLJPZ-JOCHJYFZSA-N 456.575 5.344 30 20 JKED Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)n1 510856224 DDWPUUJJNHBDCH-OAQYLSRUSA-N 469.545 5.245 30 20 JKED COc1ccc2cc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc2c1 511389134 APGRAPGZDDWFTH-UHFFFAOYSA-N 451.526 5.815 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)nnc1-c1ccc(Cl)cc1 511748775 UBCNPDGYJYZKDE-FQEVSTJZSA-N 499.036 5.382 30 20 JKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccccc1C(F)(F)F 512764021 ZTVUEDRCLPNFOW-CYBMUJFWSA-N 457.477 5.840 30 20 JKED COCCn1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c2ccccc21 512798609 XVCJBPVHKQCAFR-UHFFFAOYSA-N 484.503 5.478 30 20 JKED Cc1sc(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)c(C#N)c1C 514612740 YIWXJPXJOAMEIF-UHFFFAOYSA-N 466.613 5.486 30 20 JKED Cc1sc2ncn(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c(=O)c2c1C 515241043 PYBMVVZMBPQPDZ-LJQANCHMSA-N 462.962 5.022 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 515825497 LLJIGDJOELBQPQ-OAHLLOKOSA-N 499.596 5.460 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1 515873358 OHVQSFZDMVXPER-UHFFFAOYSA-N 464.562 5.394 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 517321716 NMQZMNNFKDSQBX-UHFFFAOYSA-N 497.574 5.957 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 518249684 XEFWBYPIJHBDDU-AVRWGWEMSA-N 489.666 5.865 30 20 JKED N#CCCCOc1cccc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 518308278 QIFJNEDHJNLHEB-SILNSSARSA-N 498.564 6.456 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519056630 CSTNZTPASNXWAU-UHFFFAOYSA-N 491.473 5.748 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 519913120 HZBNESUHIVDRIW-MRXNPFEDSA-N 466.463 6.054 30 20 JKED CCCOc1ccccc1Oc1ncccc1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C 520476427 ZHBSZKPULVDXMU-UHFFFAOYSA-N 458.562 5.655 30 20 JKED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 521692606 VRKPHRBGAKTLPS-JOCHJYFZSA-N 482.962 5.869 30 20 JKED CCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 523200530 CTGBFPNNMGBDAY-AVRDEDQJSA-N 452.986 5.156 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 523380986 PCHRJPAHEMUTOR-URORMMCBSA-N 451.570 5.143 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)o2)cc1 524384308 XVMDXDKSTOZCRX-UHFFFAOYSA-N 451.507 6.259 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 589553191 ZPSQSLKFZFQKDM-UHFFFAOYSA-N 466.559 5.012 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 589723570 DEBFNCNFTJQTIN-JOCHJYFZSA-N 474.388 5.413 30 20 JKED O=C([C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593039746 MGBGLSILFLWYLK-IYOUNJFTSA-N 467.356 5.674 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)C4CCN(c5oc(-c6ccco6)nc5C#N)CC4)CC3)c[nH]c2c1 603674652 NGCODIAMHXBKIZ-UHFFFAOYSA-N 481.556 5.128 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cc2)n1 603995879 QBIHUCIEBOUXFI-UHFFFAOYSA-N 469.526 5.047 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 604003148 GDUUNQAECRFMMM-FQEVSTJZSA-N 494.517 5.601 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2Cl)c1 609072770 FCVIYAWYBMNNAO-NRFANRHFSA-N 488.975 5.673 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC(F)F 609078368 LKODDTMGWLXMBC-UHFFFAOYSA-N 481.499 5.720 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2C(F)(F)F)cc1 609103976 LWAXHHQTTBSYGF-UHFFFAOYSA-N 494.448 6.042 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Cl 609164635 SXSDRJNTJXWJDX-NRFANRHFSA-N 485.392 5.594 30 20 JKED CCC(CC)CN(CCC#N)C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 609187292 MMGXFJVIVOBUFW-UHFFFAOYSA-N 498.468 5.103 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)CC2)c1 609204780 OXBQGKQWJGRLMC-UHFFFAOYSA-N 498.461 5.498 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 609427479 BZBUAMLJGZPDAP-AWEZNQCLSA-N 474.380 5.131 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 609437037 LUJOSDDYYOLKTR-NRFANRHFSA-N 481.625 6.314 30 20 JKED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc(-c2ccc(Cl)cc2)cs1 612894869 UHFCLAOVHOPMOC-FQEVSTJZSA-N 486.018 5.128 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3cn4ccccc4n3)n2)cc1 613318190 OXJWSRCEGUQNKQ-QFIPXVFZSA-N 480.618 6.549 30 20 JKED N#C[C@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1nc2ccccc2n1C(F)F 613404211 OSFGKJCLDFOMTL-QGZVFWFLSA-N 474.492 6.355 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 613404482 RXNIMAXDECHTGV-LBPRGKRZSA-N 499.308 5.975 30 20 JKED O=C(Nc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1)C1CC1 618539410 AZMCSHABSSJWLZ-GHMZBOCLSA-N 491.354 5.649 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(F)cccc1N1CCCC1 622348289 LVZIBWXXCJOVTG-UHFFFAOYSA-N 450.354 5.481 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485512 PLMCSIZTKDYBDF-HNNXBMFYSA-N 461.328 5.043 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)n2)cc1 726321584 JDFJASRTLDNZJB-XPPIMPSXSA-N 463.647 5.940 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(C3CC3)C2=O)cc1 726406747 METWSQIXTXRAHQ-NRFANRHFSA-N 482.993 5.123 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(OC(C)C)cc2)no1 726414932 GJHXBUGVIHYUAK-QFIPXVFZSA-N 496.564 5.070 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(C3CCCC3)C2=O)c1 726418996 GIGVCTAIIJCQBO-PUHHMSNFSA-N 487.647 5.098 30 20 JKED COc1cc(Br)c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 727223519 UKIVQFRBAZRPPG-FQEVSTJZSA-N 480.362 5.443 30 20 JKED N#CCOc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)cc1 727946968 AXXMKGQIIZTXIE-UHFFFAOYSA-N 488.302 5.082 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 728411796 LNOAOTRYHKMUPU-HNNXBMFYSA-N 484.261 5.100 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 728422631 JYUGSANOJPPIFQ-ZHRRBRCNSA-N 489.988 5.328 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 728778634 TYOGPFVPOXGPJX-IBGZPJMESA-N 458.946 5.133 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c(C)c1 729144039 UGLJMWMPMARPHY-JOCHJYFZSA-N 492.670 5.846 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730463197 UAEBWESXRWYOHW-HXUWFJFHSA-N 471.504 5.200 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cocn3)C2=O)cc1 730717495 NOIUAXCPEUXADQ-OAQYLSRUSA-N 498.992 5.277 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 731400523 QJNGNSCZOYBSLZ-RDPSFJRHSA-N 497.668 6.582 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2Br)no1 743441460 KGSUOASWEREUJP-SFHVURJKSA-N 492.329 5.320 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc(N)nc(Nc2ccccc2)n1 747111970 JEHGQRARFZUUIR-INIZCTEOSA-N 496.383 5.047 30 20 JKED COc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccc(C)cc4)csc3n2)cc1OCCCC#N 747361692 WPENBEJSQSXPBM-DEDYPNTBSA-N 492.000 6.800 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)cc1 749339110 ZDKADTITYOTCMF-QRWLVFNGSA-N 454.452 5.366 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(CC(F)(F)F)C1=O 799214555 CHNMHNZTENJMLZ-GOSISDBHSA-N 499.942 5.488 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1C 799426949 QCJVGHHJOYHOHB-UHFFFAOYSA-N 475.159 5.416 30 20 JKED COc1ccc(-c2nc(SCC(=O)c3cc(C)n(CCc4ccccc4)c3C)nc(O)c2C#N)cc1 824935825 LROOHYIGYRZJAO-UHFFFAOYSA-N 498.608 5.366 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1F 838580031 ACMXGZSDTRWPJU-SFHVURJKSA-N 453.461 5.003 30 20 JKED C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 851756143 ZBLFXCRHIZWLIM-ZCFIWIBFSA-N 479.172 5.301 30 20 JKED C[C@@H](OC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 878166895 JABJCHWIZSYRDT-ZCFIWIBFSA-N 459.314 5.178 30 20 JKED C=CCOc1ccc(/C=C\C(=O)N(CCC)Cc2nc(O)c3ccc(Cl)cc3n2)cc1OC 881691439 AEIWPKRVUUWRTL-XFFZJAGNSA-N 467.953 5.014 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3cccc(NC(=O)OC(C)(C)C)c3)no2)nnc1-c1ccco1 904634764 WZYDSRHYCXMVFV-UHFFFAOYSA-N 494.577 5.804 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(-c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 904716098 MEVBFOAYBWBWNY-UHFFFAOYSA-N 469.501 5.487 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 914543864 NJNRWBLPUSRTCA-OPAMFIHVSA-N 496.995 5.273 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 914552773 JDEOSYASAANTBS-NTKDMRAZSA-N 472.614 5.043 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(NC(=O)c4ccccc4)n3)n2)cc1 915100364 PCRWOAHKURWVEN-IBGZPJMESA-N 458.568 5.246 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 915483412 HGESOJRFCQRVEU-UHFFFAOYSA-N 485.801 6.273 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccccn1 916206004 NLXCZRNJODONTM-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)cc1 916214101 KIJQCIMJECLEBW-QFIPXVFZSA-N 463.559 5.011 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N(CC(C)C)C1=O 916215346 TYMNYBLBIPUDNS-QFIPXVFZSA-N 469.607 5.100 30 20 JKED CCCOc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)ccc1OC 916273165 UIAWPHXQHOSQGM-UHFFFAOYSA-N 467.978 5.766 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 916679676 YJJVMDIYQSWKQU-NRFANRHFSA-N 466.372 5.398 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1 916913249 OZMCAJNMZJOLQS-FQEVSTJZSA-N 458.905 5.309 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(Cl)c1OCC(C)C 916928551 NRVCGFCDTQHHAR-CQSZACIVSA-N 469.752 5.651 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1[C@@H](C)c1ccccc1 916931861 OLAISQKFIZTDHY-YWZLYKJASA-N 454.357 5.982 30 20 JKED N#C[C@H](C(=O)c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995622 AAVTYAVUHXPFAZ-MRXNPFEDSA-N 458.326 5.564 30 20 JKED CC[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)n1nnc(-c2ccc(Cl)cc2)n1 917045873 BWFPBQCAJBHPDC-HOCLYGCPSA-N 457.346 5.084 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nc2cc(Cl)ccc2s1 917045888 BYWGBIYBVKSBKU-XJKSGUPXSA-N 477.895 5.193 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1nc2cc(Cl)ccc2s1 917046194 HHHGOJINNCJNTG-GOSISDBHSA-N 453.951 5.175 30 20 JKED N#C[C@H](C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)ccc2s1 917046917 NOPHOGMLUTUZOK-IRLDBZIGSA-N 489.984 5.664 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(Cl)cc2)cc1 917678715 CHHYHMBQERWVLO-QFIPXVFZSA-N 474.973 5.372 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CCC3CCCC3)C2=O)cc1 917701503 NVFYNZIFUVQZGH-DEOSSOPVSA-N 488.613 5.301 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917703450 MOLWHLICHXGTKL-GAJHUEQPSA-N 490.560 5.272 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C#N 917703574 OXNCBYZYPRJDPH-OYHNWAKOSA-N 494.523 5.021 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1 917807526 HSVDNVJUPOMLPW-NJNXFGOHSA-N 489.688 5.011 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918616484 OLPAAOOGNDQUMF-SLMZUGIISA-N 498.674 5.097 30 20 JKED CC(C)(C)c1ccc(N2CCC(NC(=O)c3ccc(COc4ccccc4C#N)o3)CC2)cc1 919705583 BIUXNCZOHVOMHV-UHFFFAOYSA-N 457.574 5.427 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2nnn(-c3ccc(C)cc3)c2C)cs1 920067435 GWPLMQAPEWHZAR-NTEUORMPSA-N 457.559 5.230 30 20 JKED CC(C)(C)N(N=Cc1ccccc1OCC(=O)N1CCCC1)C(=S)Nc1cccc(Cl)c1 920385129 LHXVNBQYLAFHNF-UHFFFAOYSA-N 473.042 5.173 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc(-c2c(F)cccc2F)cs1 920806238 IYALLPOCZFVHHN-GFCCVEGCSA-N 456.499 5.399 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1C 920852024 MULJIDSRZSHSSM-UHFFFAOYSA-N 455.606 5.343 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(OCC(F)(F)F)cc1 921255675 YQWHLKZPBGNMGK-UHFFFAOYSA-N 477.895 5.910 30 20 JKED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C2)C1 1780207878 UXXPHNJQGZKPOZ-SSEXGKCCSA-N 485.628 5.026 30 20 JKED Cc1ccccc1NCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785796547 KIAVDTPJDLERSY-UHFFFAOYSA-N 466.585 5.046 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)c3ccccc3)CCC2)cc1 1786545190 UMHRNRULSLGMFA-PKTZIBPZSA-N 495.595 5.301 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cncc(C)c3)cc2)CCC1)c1ccc(O)cc1 1787431403 MRRWSBCFDOBRFC-QFIPXVFZSA-N 467.569 5.041 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CCC1 1787768924 PFLKGCUALUQNQT-UHFFFAOYSA-N 474.523 5.365 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3C(F)(F)F)CCC2)cc1 1789454120 QPFSXMIIAMTCLP-LJQANCHMSA-N 457.496 5.617 30 20 JKED Cc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508770 IXEXEAJIINIUEU-UHFFFAOYSA-N 451.643 5.090 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789576180 CWQXQMYSVGABPX-STBIYBPSSA-N 482.540 5.110 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(OC(F)(F)F)cc3)CCC2)cc1 1789576756 BOAQCPBVVFBFDY-WKULSOCRSA-N 485.462 5.045 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C(F)(F)F)n4)cc3)CCC2)c1 1789748114 PCGBDKYEZJTCLF-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(-c5ccc(CCCC)cc5)cc4)[C@H]3C2)C1 1790009592 POBKGBYCDNMWSR-ZXRKZBAXSA-N 486.656 5.256 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(-n4ccnc4)ccn3)cc2)CCC1 1790170339 RJZXFOLADLEPKT-UHFFFAOYSA-N 457.578 5.007 30 20 JKED CCc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1790201150 DPUDIVHGCPGJEM-QGZVFWFLSA-N 458.587 5.394 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccco3)CCC2)cc1 1790520100 VUOQTNHZQCAEMF-TVXVBNPNSA-N 493.604 5.286 30 20 JKED CCc1nc2ccc(Cl)cn2c1C(=O)NC1(c2ccc(NC(=O)[C@H](C)ON=C(C)C)cc2)CCC1 1790564976 WNXJWCOARFJRLD-KRWDZBQOSA-N 496.011 5.099 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)cc3F)cc2)CCC1 1790797025 WZLAWRSRFYGKJU-UHFFFAOYSA-N 468.569 5.343 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCc4cccc(Cl)c43)cc2)CCC1 1791141706 YLQGLCUNTUJVHE-NRFANRHFSA-N 480.992 5.013 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)o3)CCC2)cc1)c1ccc(O)cc1 1791642017 SDWSLVBCNUCMLR-NRFANRHFSA-N 456.542 5.239 30 20 JKED COC(=O)[C@@H]1CCC[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)C1 1792126599 GOPGWLHHYTWPKL-WWPVKYPJSA-N 487.600 5.041 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2)CCC1 1792196945 FOOYHSHQNJSRHV-IBGZPJMESA-N 492.620 5.220 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3c(F)cccc3Cl)CCC2)cc1 1792240310 XTBJHPLYJBSGFX-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@](C)(OC)c1cccc3ccccc13)C2 1793051880 JMSCIKKHNXTWPX-CDLOMYRSSA-N 460.618 5.108 30 20 JKED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2 1793616174 HKPVNIJOVABNTJ-OOICKAIWSA-N 468.688 5.185 30 20 JKED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C4CCCCC4)c(C(F)(F)F)c2)C3)CC1 1795847957 CUEKRWZGHRBCIL-ACDBMABISA-N 473.539 5.309 30 20 JKED CC(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)c(C(F)(F)F)c1 1797023009 ABHAPHIVYKCAHD-DVWBAYGPSA-N 486.538 5.280 30 20 JKED Cc1ccc(S/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)cc1 1798390984 XFUVFEUBJJPCMU-STZWWLEUSA-N 499.558 5.443 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)c(F)c2)C3)c1Cl 1799303169 HQMQZMPBKYWJRJ-KOUNCHBCSA-N 487.962 5.583 30 20 JKED Cc1ccc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc([C@H](C)C#N)c3)C4)sc2c1 1801085575 ASTUOZOCVACKPQ-OCYFJXFZSA-N 457.599 5.402 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)[C@H]2c2cccnc2)C1 1802415368 GORSHRIIBJATSV-HOFKKMOUSA-N 467.569 5.160 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1802496460 IWTIOXPQPZZUIU-NTKDMRAZSA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1802501592 ZXDFJSVCMFKZCV-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c(F)c2)[C@H]1c1cccnc1 1803496625 LOGRLGUDDJVVAB-ZEQKJWHPSA-N 465.613 5.160 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1803562086 TXIAVJAPNIBWEX-PDDLMNHVSA-N 497.639 5.359 30 20 JKED Cc1ccc2c(/C=C/C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc([C@H](C)C#N)c3)c[nH]c2c1 1803687935 STCDZLSDLNAYBX-OCJZHWHWSA-N 466.585 5.069 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)C1 1806677088 OEHSKHNSQQZDRO-UHFFFAOYSA-N 499.680 5.666 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[C@@H]1c1cccnc1 1809143889 UBMFCJOFQUILQM-BWKNWUBXSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1810178951 VEANCRWPWSKIKU-FKCDAAJZSA-N 491.607 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1810180934 AKPQNSHHVKFPRG-REHUZNOOSA-N 462.619 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@@H]1c1cccnc1 1810498984 RHCILGCIHDLTML-PRKOWYPUSA-N 465.682 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810499185 VBSYEBJPJUBQNY-NOZRDPDXSA-N 479.690 5.489 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[C@@H]1c1cccnc1 1810502285 HGRHJBUEMUQZAT-ICDZXHCJSA-N 497.083 5.036 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1Cl 1811897665 UJOYNDACFIIZTK-RDPSFJRHSA-N 493.394 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc4ccoc4c3)[C@H]2c2cccnc2)c1 1812150253 IJWAZDRBIZQRPT-DSSGHVNRSA-N 478.552 5.088 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1)C(F)(F)F 1812303031 ODTOWYVRSQHUPD-JPYJTQIMSA-N 493.485 5.419 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1812499920 FYAMFHNUDJQEOF-URXFXBBRSA-N 480.052 5.465 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812584152 HAHRTRKMSLDYEB-BJNDOISUSA-N 471.523 5.032 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)[C@@H]1c1cccnc1 1813053730 XNKRBPASJHRRPB-HFZDXXHNSA-N 490.003 5.020 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2cccs2)[C@H]1c1cccnc1)c1ccccc1 1813341715 RIBZEROLYDPHKZ-IEZWVHQFSA-N 485.653 5.150 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C2(C(C)C)CCC2)[C@@H]1c1cccnc1)c1ccccc1 1813669605 RMLHSVIONNPDFK-QKDODKLFSA-N 471.645 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813964488 PUAUJWJTPQPMFV-GCJKJVERSA-N 491.529 5.552 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813978157 WXGXVWLXHOOXCX-ZHRRBRCNSA-N 478.807 5.165 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1814569270 JSSMQPOVPXFYBP-HXUWFJFHSA-N 486.601 5.475 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CSc3ccccc3)n[nH]2)c1 1816952994 GFRNFOMDKQBGDH-MBSDFSHPSA-N 473.602 5.135 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1817097452 CPZADHUMHNKWRL-CQSZACIVSA-N 480.384 5.216 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2C(F)(F)F)n[nH]1 1818285905 ISNLPAAKJNCICT-SFHVURJKSA-N 463.504 5.122 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3sc4ccccc4c3Cl)n[nH]2)CCC1 1818607978 QCSUKPKSFGALAS-INIZCTEOSA-N 467.982 5.278 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4c(c3)CCCC4=O)n[nH]2)c1 1818692419 GRMLPEPIJKCIHI-AVRWGWEMSA-N 495.583 5.175 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818775091 LWVHJBRRCHTTSQ-PXNSSMCTSA-N 487.025 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)[nH]n1 1819301863 UKZSITDDFSMXQH-GCJKJVERSA-N 465.985 5.619 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)[nH]n1 1819305999 ULNMKUIKMBVCSW-RXVVDRJESA-N 462.550 5.244 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CSC2CCCC2)[nH]n1 1819384817 ZIRMJTHZKZUDHP-OAQYLSRUSA-N 474.747 5.129 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C)n2)[nH]n1)c1ccccc1 1819516430 RZTSIAAMURITTO-FWQJLOQBSA-N 481.600 5.016 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820220034 GYXLIVBOZXMRTO-IBGZPJMESA-N 498.370 5.216 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c1Cl 1820221480 VYDZHRFUVCGTKD-LJQANCHMSA-N 486.334 5.347 30 20 JKED CO[C@@](C)(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](S)C(C)C)[nH]n1)c1cccc2ccccc12 1820702398 FTDCOBALAWIXBQ-CAKYRVLISA-N 494.661 5.071 30 20 JKED CCCCCc1cccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)c1 1820712983 MCFMTVQABXGTAH-CSLYNHGHSA-N 489.620 5.089 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 1821086392 JXXQBRNIQHBXTR-MRXNPFEDSA-N 474.405 5.085 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)c[nH]c2c1 1821184973 BZYCARKRCXRBJF-QSWPLXARSA-N 492.583 5.285 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)n[nH]2)C1 1821856055 PUDPKQQRSQPQNY-OAQYLSRUSA-N 452.986 5.143 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1821924626 FHTKQWLFXULQCK-GUYCJALGSA-N 452.452 5.086 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1822582313 JRFIUUWJMQFWSJ-LJQANCHMSA-N 479.562 5.032 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cccs3)[nH]n2)cc1C#N 1823290701 MCYUTNSTMYMUHZ-XBFAEUMISA-N 489.601 5.149 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)[nH]n2)CCC1 1823382029 UBDXHNKCFUDBSM-QHCPKHFHSA-N 453.546 5.076 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4F)CC3)n[nH]2)c1 1823448056 DABCLHYDYLCKLZ-HOYKHHGWSA-N 485.563 5.214 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1823701669 BEUOZEIKUOMYGK-RUZDIDTESA-N 487.669 6.096 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc4ccc(Br)cc4c3)CC2)C1 1823701916 UIFALSWOMDABBA-XMMPIXPASA-N 496.449 5.197 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)cc12 1824053454 ZAPSEHAWKNNQGL-NDEPHWFRSA-N 482.628 5.214 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1824143327 LNUNRVLAGFCFFG-DEOSSOPVSA-N 481.587 5.515 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2OC)CC1 1824145413 HBJGONMTYDEIRV-JOCHJYFZSA-N 459.030 5.350 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC)cc2Cl)CC1 1824146147 SEKYMIVWQVCKCG-DEOSSOPVSA-N 459.030 5.350 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)CC2)c1Cl 1824328760 TVIVDSUMDMTRSF-NRFANRHFSA-N 477.983 5.270 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1)NC(=O)OC(C)(C)C 1824354898 QLXSGEFJFCYQGG-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1824538921 JFXQWPCRMZIMCR-FYYLOGMGSA-N 490.069 5.183 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824641385 NXSLWHODEZFJNF-XDPLJDKASA-N 452.561 5.107 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)cc1 1825095972 OYPBYYMDGUSZCD-FQGSIFQHSA-N 480.612 5.181 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1)c1cccs1 1826573786 YMJPFYPDEHXPKI-ABSORMQESA-N 499.076 5.393 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccsc3)CC2)c(Cl)c1 1827104505 WEGKNFARLUPEIJ-HSZRJFAPSA-N 470.038 5.139 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCC[C@H]3C)CC2)cc1C#N 1828487726 DESMBTHLKVJZJU-YNJKOYDBSA-N 465.638 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(Br)nc2C)CC1 1828829232 ZIPNSTFDYPHGOV-OALUTQOASA-N 494.499 5.216 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829580485 CNTOAEMDIRVSGF-REWPJTCUSA-N 483.703 5.342 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829704947 FDCVZLGTLGQINC-AREMUKBSSA-N 480.649 5.645 30 20 JKED Cc1ccc(CSCCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829957280 HIMHYHBQNUIOHJ-HHHXNRCGSA-N 489.685 5.424 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830596387 BXXOERWLPIGLLA-PKTZIBPZSA-N 460.684 5.052 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCc3ccccc3F)CC2)c1 1830713904 OVMIRXBZZGOKDF-SANMLTNESA-N 479.571 5.093 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1830784113 VRHQEPSPNCDBGF-QFIPXVFZSA-N 479.448 5.427 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)CC2)c(Cl)c1 1832637949 GOAFLMAQDWWWRZ-JOCHJYFZSA-N 489.925 5.176 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1841320105 JHDWDENADYUNPT-OAQYLSRUSA-N 466.025 5.213 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 9032260 QOUYTKRSQWXNAG-UHFFFAOYSA-N 473.919 5.128 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc(Cc2ccccc2)cc1 10118214 IJTWZXNNJASMQM-UHFFFAOYSA-O 494.061 6.339 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2OC)[n+]2ccc(Cc3ccccc3)cc2)cc1 10118362 WKCJAHKSIDWRBB-UHFFFAOYSA-O 481.641 6.187 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2cccc(O)c2)c1 10174459 MMMQCCQKDZXSJM-UHFFFAOYSA-O 456.385 5.056 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(CC)cc2)[n+]2ccccc2CC)cc1 11253621 VFDNZKOUTTUQKG-UHFFFAOYSA-O 461.607 5.327 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(C(CC)CC)cc2)c1 14872124 ZPTKCQKLEFFTOJ-UHFFFAOYSA-O 476.622 6.399 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C)s2)[n+]2ccc(CC)cc2)cc1 22727555 MZZKQHVXVIGZQL-UHFFFAOYSA-O 453.609 5.134 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731114 YREYKAQVDQZFDX-UHFFFAOYSA-O 488.032 6.278 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nc2sc3c(c2c1=O)CCC3 23405471 NKTJOGPIYMRVOF-HOCLYGCPSA-N 471.673 5.039 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)cc1 23597007 RKMMRLCHVBAWRY-UHFFFAOYSA-N 485.009 5.068 30 20 JKED Cc1ccc(-n2c(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)nnc2-c2ccncc2)cc1 26967231 BKACRAIRDSHQQY-HXUWFJFHSA-N 468.586 5.065 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 26982390 WQRWXESSYQRJIP-QGZVFWFLSA-N 486.601 5.197 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1 29151796 WIEGZPAECAPUGJ-UHFFFAOYSA-N 471.561 5.605 30 20 JKED C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 32045357 NFTOFHPTRKMFPG-HXUWFJFHSA-N 482.609 5.266 30 20 JKED Cc1oc2nc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)nc(NC(=O)c3ccccc3)c2c1C 39553946 RSWWFESTSBBEDJ-MRXNPFEDSA-N 471.542 5.083 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)cc1 45928433 YHDAJGYTFZRVOX-UHFFFAOYSA-N 452.514 5.877 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2)c1 78719888 FFWLHYCBHGABKW-UHFFFAOYSA-N 457.493 5.851 30 20 JKED C=CCN(C(=O)c1cc(-c2cccnc2)on1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 107772146 JQYXEAKKDJWIEA-UHFFFAOYSA-N 457.342 6.000 30 20 JKED CCN(C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)[C@H](C)c1ccc(C#N)cc1 108879936 MFKBPIZBGWXEOZ-QGZVFWFLSA-N 498.004 5.244 30 20 JKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nc2sc(C)c(C)c2c1=O 255941489 OHANIUHTQPTISP-UHFFFAOYSA-N 455.630 5.685 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 255951545 MRYCCYYULYZAMI-UHFFFAOYSA-N 474.636 6.247 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 303055766 ZBUMDJXPXIMDAH-AREMUKBSSA-N 466.537 5.207 30 20 JKED Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1NC(=O)c1ccco1 303227962 WVUYSKZCNVSYTF-UHFFFAOYSA-N 485.927 6.197 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 409474919 BWUWRQIKJBFTPA-MHZLTWQESA-N 475.662 5.437 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c1 486539543 XVPALWOVKCCIIY-UHFFFAOYSA-N 488.588 5.145 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cnn1Cc1ccccc1 487386956 IPIPFPFPEYPUAV-UHFFFAOYSA-N 481.503 5.430 30 20 JKED C=CCN(C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc(C(=O)OCC)cs1 501941085 AZTNOOUEOMDQDP-UHFFFAOYSA-N 455.586 5.491 30 20 JKED O=C(Nc1cccc(F)c1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503318035 QJKMEKMUCPEQFF-UHFFFAOYSA-N 470.707 5.489 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccc(OCc2ccccc2C#N)c1 508370665 PTBJTNGOAPCBPB-UHFFFAOYSA-N 468.532 5.371 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc2ccccc2n1C(F)F 509915219 WEBQVGXWXUHLFC-QGZVFWFLSA-N 475.499 5.959 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(CC)cc3)s2)nnc1-c1ccc(F)cc1 510586835 CCULUNVZAIVULJ-UHFFFAOYSA-N 480.594 5.229 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2cccc(Br)c2)C2CC2)cc1 511423315 WHCYJXMWQSDMJO-UHFFFAOYSA-N 490.401 6.291 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 511608148 ZSPFBLZRVCXSJI-XMMPIXPASA-N 461.949 5.530 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1F 512950474 BHFNHLOHNJWWBJ-HNNXBMFYSA-N 481.622 5.592 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(O)c2cc(Cl)ccc2n1 514704269 DUKXTULFZAJFQI-UHFFFAOYSA-N 474.373 5.291 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)nnc1-c1ccc(F)cc1 515423777 WFOFKUZPRUGVOC-QHCPKHFHSA-N 480.609 5.515 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1 515576500 FPVMKYXJHKMJQA-UHFFFAOYSA-N 474.564 5.025 30 20 JKED Cc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2ccc(F)cc2Cl)cc1 518642379 KHEQMHKHJFJIBH-DEOSSOPVSA-N 484.980 5.384 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 519426748 ZOEAXIVWJUOUSM-GOSISDBHSA-N 483.590 5.054 30 20 JKED N#C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl 519486349 DLUDMJKMMVYUAN-NHCUHLMSSA-N 452.341 5.236 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)cc1C 520065208 KMYGOHZXRDADKK-UHFFFAOYSA-N 498.631 5.066 30 20 JKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2Cl)n1 520957981 QMTABNFOKYBJIC-KOSHJBKYSA-N 493.995 5.267 30 20 JKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 521741283 ASWCTSIVTIXBGD-MHECFPHRSA-N 491.588 5.125 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 521811120 UBMLXRBVUOSPTE-BFUOFWGJSA-N 468.381 6.132 30 20 JKED Cc1csc(-c2cccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)c2)n1 555188634 BDXOGUYYVYQWRY-UHFFFAOYSA-N 484.606 5.973 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(Sc3ncccn3)cc2C)cc(OC)c1OC 591509556 HPVBYMXQWZJODV-UHFFFAOYSA-N 450.564 5.004 30 20 JKED C=CCN(C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596346804 YLVOYUBCSPTQFA-SFHVURJKSA-N 465.517 5.252 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 603527131 CQZNBYLPISNIIT-UHFFFAOYSA-N 479.540 5.299 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccc(COCC(F)(F)F)cc3)s2)cc1 603649598 BBSQTCWNGDPAPP-UHFFFAOYSA-N 460.481 5.006 30 20 JKED N#CCc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)c1 603731021 WYVRBSZDOLXHPX-HXUWFJFHSA-N 482.403 5.464 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603764416 FOXGCJCBQBARAU-UHFFFAOYSA-N 457.515 5.290 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2cccc(Br)c2)cc1 604003505 GXIWUZPDFRFYAP-UHFFFAOYSA-N 451.320 5.112 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3CN3CCOCC3)cc2Cl)cc1 604088147 GGLUCGHDCRKXKZ-UHFFFAOYSA-N 476.964 5.158 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)CCCc4cccs4)c3)cn2)c1 604234705 GEUWVOPOHYSFJU-UHFFFAOYSA-N 482.565 6.021 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)CC2)c1 604534392 RTFPWNBPUXWSOZ-UHFFFAOYSA-N 473.960 5.282 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc12 609068119 JYZPCLNWHCCBRD-UHFFFAOYSA-N 456.449 5.319 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 609078886 SKVIYYMZGAKQMU-UHFFFAOYSA-N 488.632 5.482 30 20 JKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609079179 NVHPWPOWJDXEDD-FQEVSTJZSA-N 470.573 5.296 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 609402672 HRTISKLBNTWGLE-SBUREZEXSA-N 463.990 5.436 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1 614381607 PSBPEMKNCWKTJG-AWEZNQCLSA-N 469.950 6.201 30 20 JKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 616409347 JYWSPWOVNKSGEH-CHWSQXEVSA-N 492.391 5.582 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)nnc1-c1ccc(Cl)cc1 617896128 KJYYOBJUNKSZDJ-HZPDHXFCSA-N 487.025 5.160 30 20 JKED C=CCn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nnc1-c1ccccc1OC 619683235 JKOPAEKLCFKBTQ-UHFFFAOYSA-N 472.526 5.430 30 20 JKED C=CCN(C(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1nc(-c2ccccc2)cs1 641902383 YKUJUQKKMQJMED-OFVILXPXSA-N 479.602 5.059 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2ccccn2)cc1 726416619 XTYHHXCPRLZIPH-XMMPIXPASA-N 488.613 5.072 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2ccc(CC)cc2)c1 726573866 UOMGYCAFEJCACW-UHFFFAOYSA-O 454.402 6.148 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1=S 726786880 LLRAJOLUUSKZMJ-HXUWFJFHSA-N 459.541 5.866 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCOC(C)(C)C)cc1Cl 726893351 ZSWRFQKOTHIDIW-HXUWFJFHSA-N 490.025 5.124 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c1=S 727429236 NVXPSNPUDMHLBE-FQEVSTJZSA-N 462.953 5.230 30 20 JKED N#Cc1cccc(COc2ccc(NCc3nc(COc4ccc(F)cc4)no3)cc2Cl)c1 728051915 RQOQKFFYSKRLLF-UHFFFAOYSA-N 464.884 5.504 30 20 JKED C#Cc1cccc(N(C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)C(C)C)c1 728247233 VPTBSYJZKIYGAX-UHFFFAOYSA-N 454.954 6.138 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2Cl)cc1 728423189 PRGPBPIXGMJQBZ-HSZRJFAPSA-N 499.983 5.244 30 20 JKED C#Cc1cccc(N(C)C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 728482131 KGVQGZGTMAJUBE-INIZCTEOSA-N 459.596 5.330 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(CCCCC#N)C2=O)cc1 728777909 AHBUUXPQZDVQDX-QFIPXVFZSA-N 482.581 5.187 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H](C)CC#N)c1 728874350 XCRSAPCBQOEJLB-OAHLLOKOSA-N 499.942 5.114 30 20 JKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nn(CN(C)[C@@H](C)CC#N)c1=S 728902532 RGDMPHHKTGGUSK-NRFANRHFSA-N 499.640 5.849 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 729142759 KYOHDLKKCHUQGS-JOCHJYFZSA-N 486.622 5.765 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 729145541 LSTUCIIEPLUPNE-NRFANRHFSA-N 494.617 5.240 30 20 JKED CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729552785 KWTCSZFUWQJRKZ-VWNXMTODSA-N 483.490 5.264 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1 729766762 XFUWZKCFAMATML-UHFFFAOYSA-N 464.934 5.316 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)n2)cc1 730691857 OZPRGNJLVIKKIG-MRXNPFEDSA-N 487.528 6.256 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1cocn1 730709992 WVCMPRYHHYGTEL-IBGZPJMESA-N 489.384 5.450 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 731063769 MOKDXJWNEFINOR-MRXNPFEDSA-N 479.583 5.048 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c12 731069291 ARZNJWIUIPOARE-MRXNPFEDSA-N 486.553 5.388 30 20 JKED CC(C)(C)n1cc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)c(-c2ccccc2Cl)n1 731149388 YJUHLEUWYIWTFD-UHFFFAOYSA-N 466.010 5.491 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1cccc(O)c1 731307911 WBKSTWMCPPFPOZ-XMMPIXPASA-N 484.581 5.077 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccc(Cl)c2)C1=O)Nc1cccc(O)c1 731310319 FMSKLIMQSXONOP-NRFANRHFSA-N 483.952 5.345 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 731407473 WDLNXLJUEHUZRG-BEFAXECRSA-N 461.509 5.402 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cscn3)C2=O)cc1 747602696 MBSNBZOHSMFGPN-FQEVSTJZSA-N 468.579 5.060 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1 799212939 ZUIAVXCZRLXOTC-OAHLLOKOSA-N 459.852 5.002 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)on2)c1 800659385 VCWYGHTYBQDWJD-UHFFFAOYSA-N 499.898 5.289 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 812455498 KSRFBZMPNJLCTR-UHFFFAOYSA-N 465.560 5.282 30 20 JKED CC(=NOCc1nnc(-c2ccccc2Br)o1)c1nc2ccccc2n1C(F)F 836978612 UANLNECAEBTPFX-UHFFFAOYSA-N 462.254 5.185 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1OC 838486143 PLWVUYDWVWDPPU-OAQYLSRUSA-N 490.025 5.044 30 20 JKED COc1ccc(-n2c(-c3cccc(OC)c3)nn(CN(C)Cc3cccc(C#N)c3)c2=S)cc1 914783384 FNJRKDGLGQHYPR-UHFFFAOYSA-N 471.586 5.049 30 20 JKED CS(=O)(=O)c1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 914835712 NKWCKFSHOZJFCB-UHFFFAOYSA-N 464.978 5.101 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 915086471 JZPFSPWAOHSJOP-HSZRJFAPSA-N 479.989 5.032 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cs2)cc1 915087400 TWPHLEBTXMVHJC-RUZDIDTESA-N 453.567 5.867 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915087572 VKRGJMNNZZKFHT-MHZLTWQESA-N 470.532 5.602 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccco2)n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102672 CNHBUIBXEYCCEQ-GONJIIODSA-N 492.626 5.332 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104576 SDNLDMUIGYSPET-BBRMVZONSA-N 477.533 5.560 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)cc1F 915111503 MQHYCPHYJSYRGJ-QFIPXVFZSA-N 499.514 5.273 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CC2CCC2)C1=O 915116194 DJQXZZGLARLLQW-HXUWFJFHSA-N 457.983 5.109 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 915512148 NOPLJEUHWYNGED-UHFFFAOYSA-N 488.849 5.605 30 20 JKED COc1cc(CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)ccc1OC(F)F 915684094 ZRDIVZXNRYARLG-QHCPKHFHSA-N 477.511 6.149 30 20 JKED N#CCOc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 916152325 ZEJWBOWYZYHMQP-GDNBJRDFSA-N 450.454 5.246 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1c(C)cccc1C 916217256 JBZFGMFBVVAJEW-KRWDZBQOSA-N 480.417 5.217 30 20 JKED COc1ccc(Cl)cc1N1C[C@H](C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)CC1=O 917042562 FYOWAOHLJJUVLJ-BXUZGUMPSA-N 493.894 5.206 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cc(Br)cs2)n1)C(=O)Nc1ccc(F)c(Cl)c1 917426285 HFQYRSWFJXNOOK-LBPRGKRZSA-N 498.786 5.317 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3C(F)(F)F)SC2=Nc2ccccc2)n1 917675199 GSJFRWKRYGEYBC-NRFANRHFSA-N 498.530 5.569 30 20 JKED Cc1ccc(C(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)cc1NC(=O)c1ccccc1F 919145988 UTIPUGIRGCFVHT-UHFFFAOYSA-N 487.531 5.107 30 20 JKED C[C@@H](Oc1ccc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cn1)c1ccccc1 919213571 BJLXSILBEGJKIN-LJQANCHMSA-N 453.498 5.130 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1 920142740 WETSVRIONUAYGP-IBGZPJMESA-N 494.523 6.243 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N([C@H](C)c3ccccn3)C2=O)c1 920173122 PBQXKGBOPXZUDC-FQRUVTKNSA-N 498.652 5.909 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(C[C@@H]2CCCO[C@H]2c2ccccc2)C1=O 920360365 XNBLFQCDUPFYCN-RSEQLOHWSA-N 479.646 5.046 30 20 JKED C[C@@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)Nc1ccccc1Br 920417103 ZACATHXDNMPMDF-MRXNPFEDSA-N 479.330 5.084 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 920913072 TZQYPONQTBFMOD-UHFFFAOYSA-N 488.352 5.592 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c4ccc(F)cc4)cc3)o2)c1 928987825 IEFNUPJDZZFKGU-LJQANCHMSA-N 498.514 5.343 30 20 JKED CSc1nc(O)c(C(=O)Nc2cc(C(F)(F)F)ccc2NCc2ccccc2)cc1C#N 1294879575 YKQRBOPRTWDWQC-UHFFFAOYSA-N 458.465 5.264 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2cccc(C)c2)C1 1777763333 DORHSMJPHDABSJ-FYBSXPHGSA-N 489.660 5.177 30 20 JKED COc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)cc1 1786333242 QALKAIMULLYSLS-FTJBHMTQSA-N 465.553 5.118 30 20 JKED CC1=C(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)CCO1 1788327912 DHPSXQVEMOBMTQ-UHFFFAOYSA-N 469.463 5.019 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(F)c3)cc2)CCC1 1788373996 BMWNAXIMRCLGNI-FDAWAROLSA-N 496.542 5.348 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)C[C@@H]21 1788735148 TYPROTAKDDDXGG-AGJHTDJMSA-N 499.655 5.192 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cc6ccccc6o5)cc4)CCC3)c2c1 1789004427 HNBDYOVAUSIAKK-UHFFFAOYSA-N 475.508 5.242 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5[nH]ccc5n4)cc3)CCC2)c1Cl 1789269606 WSOIQFWFVNDMFQ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)nc5ccccc45)cc3)CCC2)CC1 1789369809 MWUFQSPYINBWEO-UHFFFAOYSA-N 478.474 5.305 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)on1 1790162637 CHKFWFIZXOTWNK-ZHACJKMWSA-N 463.559 5.046 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccccc3F)cc2)CCC1 1790471724 LTIIQHHUFOQUGZ-HSZRJFAPSA-N 495.595 5.492 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)cc3F)CCC2)cc1 1790563769 LTUNRPXRYJLUPZ-OAHLLOKOSA-N 490.373 5.137 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)cc3C)CCC2)cc1 1790567813 PULYIUPYFCARJX-QGZVFWFLSA-N 486.410 5.306 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C4CC4)CCC3)cc2)cc1 1790703035 HBZTXGJVKQVOEE-UHFFFAOYSA-N 456.571 5.148 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5cn4)CCC3)cc2)c(Cl)c1 1790767718 JERUXYTUORNYMR-UHFFFAOYSA-N 470.916 5.414 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccccc4N4CCCCC4)cc3)CCC2)CCC1 1790785496 PVORWNPTFQZLAG-UHFFFAOYSA-N 456.590 5.118 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1)c1ccc(O)cc1 1791646515 VWCSSUSLEXONKW-OAQYLSRUSA-N 492.579 5.213 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4Br)cc3)CCC2)c1 1791683889 GAHSXPUHHAJHEC-IZZDOVSWSA-N 489.373 5.110 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(F)F)cn4)CCC3)cc2)c1 1792122272 ILCQJLQVHMAQND-QGZVFWFLSA-N 490.510 5.372 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnn5c4)CCC3)cc2)c1 1792127135 QCHDBHZRUFHLMY-LJQANCHMSA-N 463.541 5.023 30 20 JKED C[C@]1(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)CC1(F)F 1792248781 WCYGVJGHXWVLBB-OAQYLSRUSA-N 477.433 5.370 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccccc3)CCCC2)cc1C#N 1792862233 HDMWKMCJXAUHNA-OOSCYNTBSA-N 485.628 5.109 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc(Br)c1F 1793027868 LXNHEIUZKRKXPS-REPLKXPHSA-N 479.434 5.151 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1Cl)C2 1793051659 XBQCYSYFEZSSJA-MUJYYYPQSA-N 472.910 5.518 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](F)c2cccc(F)c2)c1 1800279067 ISEOLBRKUAMCJD-GBLYOKOSSA-N 452.545 5.349 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2ccccc2)C3)c1 1800683915 XKJIAVZDPYQYKL-WKCHPHFGSA-N 469.516 5.055 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)s2)[C@@H]1c1cccnc1 1802492278 PRRHYJPNOBOSAB-ZJSXRUAMSA-N 453.652 5.083 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1802941514 COPDNJUWNFAQTK-LITSAYRRSA-N 482.628 5.037 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c[nH]c4c(Cl)cccc24)C3)c1 1803684191 MFXQVKLAIBLOJH-QLIIJSOBSA-N 460.965 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@H]1c1cccnc1 1804862068 WENOLHCZRVGIBL-KODFZCBSSA-N 498.627 5.173 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1 1806067004 PECIOGNSZZZPKJ-GOSISDBHSA-N 477.885 5.446 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2cc3cccnc3cc2F)[C@H]1c1cccnc1 1808192935 SUQZBIGMGYIDCI-WXVAWEFUSA-N 488.607 5.010 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808546997 SLCZPKXIOMHPAX-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1809201009 PXBQDMBKEDFAIK-OFNKIYASSA-N 479.621 5.747 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1)c1ccccc1 1810446506 OEZZBZABNGQLMY-OTNCWRBYSA-N 492.044 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 1810493048 UZDRFUVLETULSE-KVZCNWPJSA-N 463.597 5.023 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810955841 NGJGMECXFJOTGV-GCJKJVERSA-N 491.529 5.552 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811734288 PQJNDHGJEOYCJA-UGSSSBPWSA-N 491.016 5.091 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812804580 PKZARQMAGOYSHW-JYFHCDHNSA-N 457.659 5.067 30 20 JKED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1cccs1 1813340596 KXZJIIHJXFQZEB-XTJBDQBJSA-N 481.738 5.004 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814739474 XBYRXVLRSZSOCW-CJFMBICVSA-N 469.589 5.018 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817773797 VXAOPBVMIOUBQK-VWLOTQADSA-N 477.568 5.344 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)n[nH]2)C1 1817945493 XYRGBJRHGSYLJR-LJQANCHMSA-N 451.958 5.125 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818117546 XDKGCYFNSMCAAP-CBXIQKPASA-N 476.602 5.015 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(C(C)(C)C)cn2)n[nH]1)c1ccccc1 1818432347 OUXJIDWKAXTVOU-ZJSXRUAMSA-N 498.631 5.000 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4cc5ccccc5o4)sc3C2)c1 1818638846 NZNMBGGAXIKIMI-LPNSOXRQSA-N 496.592 5.456 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)cc(C)nc3c2)n[nH]1 1818971495 ADKXTFJRXIZYPP-NYHFZMIOSA-N 465.985 5.438 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCCn3cccc3)n[nH]2)c1 1819526373 DHLHFVQOAKRNGE-GBXCKJPGSA-N 472.593 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)[nH]n1 1819555624 QJRHPPSKKQYTIQ-RPBOFIJWSA-N 491.680 5.449 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820102749 ZEHCBJDATXUUBQ-GHTZIAJQSA-N 481.647 5.137 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217044 AZRSFZXDRCUDGU-FQEVSTJZSA-N 451.958 5.009 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1ccc2ccoc2c1 1821454221 OCHDUNJKYGGSIL-QFIPXVFZSA-N 472.932 5.167 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)cc1 1821507069 OHODNRPAVAFCJI-OAQYLSRUSA-N 485.569 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C(C)=C/c2ccc(OC)cc2)n[nH]1 1821748897 JHOYAVLIAVIMOD-ZLGKEQQUSA-N 462.594 5.282 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n[nH]1 1821788058 WDOQAYLWCZXMID-UZLBHIALSA-N 494.583 5.230 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1821925074 MKNVFUIAEOJQRO-SCLBCKFNSA-N 452.452 5.086 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(Br)cc2F)[nH]n1 1821926586 SMAMHSVNPIKUGS-QRWLVFNGSA-N 491.405 5.148 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccnn3C)c(Cl)s2)[nH]n1 1822579592 GVHFMYHAIRYGLP-LJQANCHMSA-N 499.040 5.025 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)[nH]n2)c1 1823211759 IFGVHWPUCWNKDI-VLIAUNLRSA-N 484.482 5.003 30 20 JKED Cc1cc(F)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1823317060 AOFKSJQLRHRHPF-UZUQRXQVSA-N 459.525 5.104 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1823752726 MDPFTGYESCYBEG-YIXXDRMTSA-N 479.709 5.663 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1824053921 LSJZFAASTZLIPP-HHHXNRCGSA-N 496.611 5.079 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1824502177 YPSLJBNZMQVSLH-ZOGNMOHXSA-N 464.606 5.049 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1824511357 DJJNPKSARKVXMR-REHUZNOOSA-N 494.598 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1 1824891353 PGWWBJIAWQQFLZ-ZGIBFIJWSA-N 491.720 5.287 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825436816 JIZPBHQTNOXUJR-FQRUVTKNSA-N 463.622 5.136 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cs2)CC1 1827724065 YSTMYTZHMSOYKA-PMACEKPBSA-N 479.484 5.512 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2Cl)CC1)c1ccccc1 1829030595 VCTQEDMHXVAWOP-ILBGXUMGSA-N 478.036 5.166 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829647758 LATHEIOCURDUPL-LJQANCHMSA-N 486.937 5.535 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1Cl 1829690136 MCHWLCOGVSGKLD-DEOSSOPVSA-N 474.992 5.240 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c1Cl 1829895310 QCLGBKINJVPSAO-QFIPXVFZSA-N 470.400 5.412 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)c[nH]2)cc1 1830012622 QBAAUIVNPAUZLT-MUUNZHRXSA-N 480.612 5.409 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCCC2)CC1 1830357927 IBWAVHUSQZAHIH-RPWUZVMVSA-N 489.701 5.046 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1832031285 HNLGTQIPCRTWBT-RUZDIDTESA-N 479.665 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc4ncccc34)CC2)c1 1832629563 UCZUIUWBRUMEMP-MNNSJKJDSA-N 494.639 5.338 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCCCC2)CC1)NC(=O)OC(C)(C)C 1832755400 WXCJJMWVSUDQHM-RPWUZVMVSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 1832757019 OIUVOLDHHWLZPE-UPVQGACJSA-N 491.717 5.294 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1847264018 QZKODUXQJNMQAQ-OIBXWCBGSA-N 483.653 5.080 30 20 JKED C=CCn1c(C)cc(C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1C 3376250 JPKTVRUQJFWARM-QGZVFWFLSA-N 458.031 5.123 30 20 JKED CC(C)Cn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1Cl 9847679 MXNMXHBLYDMAGE-HNNXBMFYSA-N 480.465 5.731 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)n(C)c1C)[n+]1ccc(C(C)(C)C)cc1 10118249 FZTNHTBNDUSYGZ-UHFFFAOYSA-O 450.628 5.286 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 10168038 BHRRUQBPQFDFKZ-UHFFFAOYSA-O 479.669 6.849 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccccc2CC)cc1 10178939 GVCYAZJESXQXOB-UHFFFAOYSA-O 452.043 6.420 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2Cl)cc1 10827222 ITHWJKBVDNDRNC-UHFFFAOYSA-O 464.054 6.465 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 11083360 XOOPVMPUUXOXLC-UHFFFAOYSA-O 485.604 6.072 30 20 JKED Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccnc1 16072109 BGZGUVGNVHVNJW-MRXNPFEDSA-N 474.977 5.282 30 20 JKED COc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1OCc1ccccc1 16961327 NFOJPEZXLXMCEM-UHFFFAOYSA-N 471.538 5.530 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccc(F)cc1 17704940 PLFJZRZRTPCHDA-QHCPKHFHSA-N 478.618 5.638 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccc(C)s4)csc3[nH]2)nnc1-c1ccncc1 20050501 HDLPTUKKGHNESV-UHFFFAOYSA-N 478.628 5.153 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2sc(-c3ccccc3)cc2c1=O 21284502 UZVPZWVLEANJPN-UHFFFAOYSA-N 491.642 5.353 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1 25549160 OPJMAVUNMSTNFU-UHFFFAOYSA-N 455.583 5.017 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC1 26012759 IFNJHLWHJHMKFL-UHFFFAOYSA-N 486.503 5.379 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1OC 26972406 IGAKTTTURHORKG-LJQANCHMSA-N 497.690 5.023 30 20 JKED C[C@@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)C(=O)N(CCC#N)c1ccc(F)cc1 31696895 FDEULZWVGJTAGH-MRXNPFEDSA-N 492.601 5.229 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 33001994 QEMFENWPRPHPLR-CQSZACIVSA-N 457.324 5.064 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c(C)c1 254943838 WOYZNICTPMPITQ-JOCHJYFZSA-N 480.540 5.137 30 20 JKED COc1ccc([C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N2CCCC2)cc1 255941388 QUBBUQGETJXOKQ-AREMUKBSSA-N 471.626 5.426 30 20 JKED COCc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)sc2cccc(F)c12 302943756 IJCYZOYRRVARFY-UHFFFAOYSA-N 459.502 5.563 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1 302971868 DILCETCUZNJHKT-UHFFFAOYSA-N 477.029 5.982 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1Cl 303158052 UPGDLFRZHSBLAE-XUNZJTMSSA-N 478.036 6.189 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)c2)c1 480154805 KMPBRDAFSLMBJU-NRFANRHFSA-N 472.520 5.159 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482249032 VVLJITQWJJSCMA-UHFFFAOYSA-N 490.585 5.769 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)c2)cc1 487007317 BGPMIFVWJGSICE-UHFFFAOYSA-N 480.351 5.256 30 20 JKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487386409 NFEUVUMMQNECGP-YJYMSZOUSA-N 484.503 5.471 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)o2)cc1 501152365 XUEMEDIBKRSLQJ-UHFFFAOYSA-N 488.544 5.390 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)c1 502293981 ULRKSLVLEDCGEZ-UHFFFAOYSA-N 457.534 5.224 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](CO)Cc2ccc(F)cc2)cc1Cl 502738077 CLHQOYHBVTVCNU-JPYJTQIMSA-N 451.929 5.107 30 20 JKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)o1 509901684 MHXFTOMJPGUMDE-AFMDSPMNSA-N 455.558 6.245 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(F)c1 510010270 PKQAKZMRVARSBP-UPVQGACJSA-N 473.939 5.779 30 20 JKED CN(Cc1ccc(Br)o1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511439052 OCFWQTYCZLKCFR-UHFFFAOYSA-N 454.324 5.351 30 20 JKED CN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)c(C(F)(F)F)c2)CC1 512197511 QWASEVBIIFRIMT-UHFFFAOYSA-N 494.517 5.160 30 20 JKED N#C[C@@H](C(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc(C(F)(F)F)cn1 513180246 AMQMMVNWCJKTIL-QGZVFWFLSA-N 453.445 6.024 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4sc5c(c4C#N)CCCCC5)cc3C2=O)c1 514471927 TTYWRWKRLBOCER-UHFFFAOYSA-N 469.566 5.558 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1 515298085 YJQZGMOYYOYNMJ-UHFFFAOYSA-N 475.599 5.240 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1)C(=O)NC1(C#N)CCCCC1 515488607 FAMIFSJYVRDIFA-PMACEKPBSA-N 459.619 5.378 30 20 JKED CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515719255 BMWIAJNHXIKGKA-UHFFFAOYSA-N 454.935 5.438 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@H]2CCCc3ccccc32)cc1Cl 515881798 KZPOZJLTWANRKD-YKSBVNFPSA-N 457.961 5.170 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(COc3ccccc3)CC2)cc1Cl 516284653 NQDKWNAVESTVMN-VWLOTQADSA-N 487.987 5.252 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1cc(Br)cs1 516297025 YQBWFTURWQGQPL-UHFFFAOYSA-N 484.375 5.080 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Cl 519414860 ZXSVDHGTFVHWMH-CQSZACIVSA-N 458.012 5.212 30 20 JKED C=CCN(C(=O)Nc1ccc(S[C@H](C)CC)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 520194831 HFGDIKYJERWQLD-MOPGFXCFSA-N 450.612 5.642 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 520470383 BBHNGPBXVANTBO-UHFFFAOYSA-N 495.499 5.268 30 20 JKED N#CCCN(C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1ccc2c(c1)OCCO2 520497000 FQCNRNQCYOYFMN-UHFFFAOYSA-N 474.904 5.117 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)N(CCC#N)c4ccc5c(c4)OCCO5)cc3)o2)c1 521446954 BXUFRSSZBYZBOZ-UHFFFAOYSA-N 466.497 5.044 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)cc2)c1 521791831 FPLNRXANVVDQAV-UHFFFAOYSA-N 458.495 5.170 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)cc1 524097990 PRFUOGQJRSJMFN-UHFFFAOYSA-N 489.528 5.496 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 524436468 XIHFCUOGIWBXFB-HSZRJFAPSA-N 468.601 5.747 30 20 JKED CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4S[C@@H](C)CC#N)cc3C2=O)cc1 553281946 DPTDNFYNFDLURJ-KRWDZBQOSA-N 485.565 5.532 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 588349108 VZERCDGZXVZUQO-SFHVURJKSA-N 478.430 5.321 30 20 JKED C=CCN(C(=O)[C@H](C)c1ccc(CC)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 589897303 PQUXYLDMVGWUCV-QGZVFWFLSA-N 454.617 5.099 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ncccc2Cl)c1C(F)F 593647468 DGJSZGYPCWUGSJ-MYJAWHEDSA-N 490.782 5.498 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)cn2)cc1 603691098 ZMLSKWQNWPTSLM-UHFFFAOYSA-N 495.505 5.504 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603759195 XLARHJOYURCWJC-UKILVPOCSA-N 487.987 5.637 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1Cl 603766666 SKTYKXMHGNVGNH-HSZRJFAPSA-N 490.968 5.815 30 20 JKED COC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S[C@H](C#N)Cc3ccccc3)nc2c1 604076312 QASQNZNBFDYBAM-FQEVSTJZSA-N 489.984 5.112 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCC3(c4cccc(C(F)(F)F)c4)CCOCC3)cn2)cc1 604362188 SUBNSNZARNKVQG-UHFFFAOYSA-N 496.489 5.634 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](C)c1cc2ccccc2o1 604422785 PDSGSMFCKQVATA-GOSISDBHSA-N 468.513 5.430 30 20 JKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608992166 XRNRUIGAHFIVED-UHFFFAOYSA-N 497.521 5.433 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)o2)cc1 609054342 DEPZUXZGIKEXEH-IBGZPJMESA-N 459.527 5.166 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1I 609089850 INELRURSENXCEG-INIZCTEOSA-N 469.307 5.085 30 20 JKED N#CCn1c(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc2ccccc21 609175669 TUXMIFZBXIWHKZ-UHFFFAOYSA-N 462.431 5.688 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)s2)cc1 609354955 IEOVHVOGLWFYAR-OAQYLSRUSA-N 473.646 5.277 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2C)cc1 609382437 FGPWCDFEEBRLCU-QGZVFWFLSA-N 495.626 5.309 30 20 JKED O=C(c1ccc(OCC(F)(F)C(F)F)nc1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 622584800 KHVURWBFZBHEJT-SFHVURJKSA-N 468.344 5.091 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 642281537 IEYQLONPXIWALO-AWEZNQCLSA-N 463.342 5.633 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726114581 XZQZVVFVMPUHTI-MGPUTAFESA-N 485.610 5.134 30 20 JKED NC(=NOCc1csc(Cc2ccc(Cl)cc2)n1)c1ccc(OCc2cccnc2)cc1 726183532 MBMYXWLYALVEDF-UHFFFAOYSA-N 464.978 5.198 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc2cc(C(F)(F)F)ccc2s1 726322625 NISHCALRNZCNKY-CQSZACIVSA-N 482.443 5.920 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1nc(-c2c(F)cccc2F)cs1 726328227 HIHVXSIVZWCPHJ-AWEZNQCLSA-N 476.464 5.694 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 726392957 KFVKOVMWHKBMCA-SBUREZEXSA-N 479.577 5.364 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 726397835 JFFBXIVEXYWGLG-CVDCTZTESA-N 467.635 5.306 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 727058420 MNEGEPJIPRAOIU-UHFFFAOYSA-N 497.983 5.279 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 728062537 MGEIPSLUAQCLIP-IBGZPJMESA-N 457.530 5.046 30 20 JKED CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728460366 YAUIYQWZKKGCLH-UHFFFAOYSA-N 483.484 5.360 30 20 JKED N#CCCN(CC1CC1)Cn1c(=S)oc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc21 728904664 RMFLIHROLFFDLT-UHFFFAOYSA-N 477.011 5.001 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ncccc2C)cc1F 729633020 UYQBFUQFEOMRQO-QHCPKHFHSA-N 492.576 5.007 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc(F)ccc2F)c1 729634918 WSHMMVYKEPHTEY-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1ccc2c(c1)[C@H](N1C(=O)[C@H](CC(=O)Nc3cnccn3)SC1=Nc1ccccc1Cl)CC2 730713802 BACKNJPLNATEBP-RTWAWAEBSA-N 492.004 5.086 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cocn1 730718616 MKDKRLRZAAFGEY-FQEVSTJZSA-N 468.966 5.051 30 20 JKED N#Cc1ccc(NC(=S)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1Cl 730737083 GHPPYULSEJIRQU-UHFFFAOYSA-N 488.922 5.969 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 730900005 UIKPHEZDUVSFMM-JOCHJYFZSA-N 455.436 5.533 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 730993464 AAXOPQSAEPPCCL-UHFFFAOYSA-N 478.927 6.170 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 731075634 GNWHQCYGZWXXCP-HXUWFJFHSA-N 496.592 5.729 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](C)c1c(Cl)cccc1Cl 731078670 VVVADIDZFPNICA-KBPBESRZSA-N 451.375 5.531 30 20 JKED C[C@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21 731255797 XLQHBPGRGOKUDJ-FQEVSTJZSA-N 499.592 5.475 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)o1 731310681 NIMIPHUFNNNPPO-BIFSNJIPSA-N 493.560 5.408 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1cccs1)c1cccs1 731312766 RSIDCAACNBABTL-PDHZVPOHSA-N 499.683 5.536 30 20 JKED Sc1nnc([C@H]2COc3ccccc3O2)n1N=Cc1cccc(OCc2ccccc2Cl)c1 744738645 CQDOXMYXBQTPMZ-JOCHJYFZSA-N 478.961 5.194 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N(Cc2ccccc2)c2ccccc2C#N)c1 745724260 NSPPBZMWQJEBPI-UHFFFAOYSA-N 492.670 5.301 30 20 JKED C=C(C)COc1cc(/C=C2/SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)ccc1OC 747039714 FMCGIVJAKMATRY-SRZZPIQSSA-N 454.573 5.014 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(Cl)c1C 799213477 UWUPAKLTUHPMCF-SFHVURJKSA-N 490.810 5.004 30 20 JKED CN(C)Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)c1 914694657 QTIJZVJDKHNAGS-XMMPIXPASA-N 490.604 5.048 30 20 JKED N#CC(CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)(c1ccccc1)c1ccccc1 914882408 NBSBUXKEWBWICP-UHFFFAOYSA-N 489.984 5.925 30 20 JKED N#C[C@H](C(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 915102135 SEXIJYQZAKUPSA-CCULFSDZSA-N 498.955 5.585 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC2CCC2)C1=O 915116640 LOIQZCMZYVRDMJ-FQEVSTJZSA-N 475.973 5.248 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1 915598589 VDEOGVOIZKIDQZ-SANMLTNESA-N 453.542 5.329 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1Cl 916056761 HRCUYSXDHJAFDY-IBGZPJMESA-N 478.339 5.896 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1Cl 916056799 IFRWKBPOPYEQOF-OAQYLSRUSA-N 451.016 6.726 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(C[C@@H]3CCCO3)C2=O)c1 916216747 YDAFCCUSTIXCHQ-JTHBVZDNSA-N 465.619 5.060 30 20 JKED CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1OCC(=O)N(C)C 916680903 MPIFNXSRNJCNLS-LOSJGSFVSA-N 470.573 5.082 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905060 LRSLTRHBKARZIT-ILBGXUMGSA-N 465.509 5.090 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916906419 QUXNPVXAIYBCCO-AWEZNQCLSA-N 469.353 5.663 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c1 916919713 ZGGSZBBTABHMSU-QFIPXVFZSA-N 454.555 5.082 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 916955739 UCSQJPSSWRVIFA-YCRPNKLZSA-N 496.430 5.976 30 20 JKED Cc1ccc(CN2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 916997585 XEPWLQPPYWAMKB-LPHOPBHVSA-N 484.408 5.650 30 20 JKED CCCCCCn1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2c1=O 917025405 JDMWRRZMJYHVGH-NRFANRHFSA-N 456.571 5.590 30 20 JKED N#C[C@H](C(=O)CCNC(=O)Nc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 917045896 CBTVQWQXLRIBSY-CQSZACIVSA-N 477.771 5.100 30 20 JKED N#C[C@@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1nc2cc(Cl)ccc2s1 917046951 NYDSKGDQNTXDKH-HNNXBMFYSA-N 493.038 6.590 30 20 JKED CC(C)CN(CCC#N)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 917364374 ZGVNJRZKLUHVHN-UHFFFAOYSA-N 491.613 5.078 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)CSc1cccc2cccc(Cl)c12 917507391 WAVRSFKMBFVFQA-MRXNPFEDSA-N 468.962 5.299 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(SC(F)F)cc1 917653486 PNYHWRQPIOFBOH-LJQANCHMSA-N 490.601 5.214 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2ccccc2c1 917700636 MQYGSTRGEJJJBH-DEOSSOPVSA-N 475.614 5.453 30 20 JKED C[C@@H](OC(=O)c1nc(-c2ccccc2)cs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919122948 QAWGXSVUUUYJGA-CQSZACIVSA-N 451.573 5.196 30 20 JKED Cc1nc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)sc1SCC#N 919814662 JIEOMCFSGCJFJL-UHFFFAOYSA-N 496.415 5.692 30 20 JKED N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920108978 CHWOJTOXTRIZLO-GOSISDBHSA-N 491.827 6.695 30 20 JKED Cc1csc(Nc2cccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)n1 920247782 AGABDAFCISIODZ-UHFFFAOYSA-N 474.546 5.170 30 20 JKED COc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CCOCC2)cc1 920324620 RIUZTUOOZBMZMU-HXUWFJFHSA-N 452.963 5.397 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)cc1C 920354040 YHHVDMUGPSGUIJ-JOCHJYFZSA-N 462.575 5.069 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 920354761 FWFYKCOZPVMJJV-YMVVMYQSSA-N 491.657 5.017 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)cc1 920357777 WEWDDCJBJDDSEP-QFIPXVFZSA-N 497.020 5.668 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1nc(-c2c(F)cccc2F)cs1 920804047 JHADSDCEJLYDOE-MRXNPFEDSA-N 487.478 5.095 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c(C)c1 921254917 UKTRFZNIBIPVOE-PXNSSMCTSA-N 493.551 5.231 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(C3SCCCS3)cc2)cc1 925497352 VIHPTEPPVALAQO-GOSISDBHSA-N 454.617 5.356 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 928966358 ARRKSLSYBCOXHQ-RBBKRZOGSA-N 490.629 5.165 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 928988837 VERVOYNMMKOLLR-OAQYLSRUSA-N 494.551 5.513 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)CCC2)cc1 1785787262 UHXKFFQUHATXGD-UHFFFAOYSA-N 493.394 5.641 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)ccc3F)cc2)CCC1 1785959565 ZINQDRALOWUHOY-UHFFFAOYSA-N 457.343 5.139 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)CCC2)cc1 1786103076 JEBJJTHEZVASPD-UHFFFAOYSA-N 496.533 5.869 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3c(F)cccc3Cl)CCC2)cc1 1786365611 NDJJBCLNLJMXIF-UHFFFAOYSA-N 458.961 5.139 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCCCC4)cc3)CCC2)cc1 1786367270 HGNACVWUNWOYTP-UHFFFAOYSA-N 475.633 5.407 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C)o3)cc2)CCC1)NC(=O)OC(C)(C)C 1786494784 DLGJYBJLZMCOQC-NRFANRHFSA-N 481.593 5.195 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c4ccccc34)CCC2)cc1 1787647768 SCPKYIFQCAWVBU-UHFFFAOYSA-N 462.347 5.264 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CSc4ccccc4)cc3)CCC2)cc1 1787774562 DZPUBQWMEOYVKB-UHFFFAOYSA-N 455.583 5.293 30 20 JKED CC(C)Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)n(C)n1 1788364505 BUGYIJFWKKNKLG-FQEVSTJZSA-N 483.616 5.307 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)cc2)CCC1 1788601566 WUZYDFRYDMZLHN-LJQANCHMSA-N 471.642 5.416 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4csc(-c5cccnc5)n4)cc3)CCC2)cc1 1788674489 ZQJSZJNSVBXMGL-UHFFFAOYSA-N 493.592 5.067 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccccn5n4)cc3)CCC2)c1 1788924306 VEHJEXDFUZQCIE-IBGZPJMESA-N 463.541 5.023 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(C)ccc5[nH]4)cc3)CCC2)c1 1788964194 QIWBGLBSISMZIN-UHFFFAOYSA-N 478.552 5.418 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)ccc4n3)cc2)CCC1 1789288035 SLVRNSNVPREHAR-FQEVSTJZSA-N 490.551 5.055 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)cc2)CCC1)C(F)(F)F 1789531323 UFUCCMJCBCMLAW-AABGKKOBSA-N 458.505 5.127 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ncc(Cl)cc4Cl)CCC3)cc2)c1 1790072927 NQVRKRSXZKBULS-UHFFFAOYSA-N 495.366 5.330 30 20 JKED COc1ccc(Cl)cc1CC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790258644 HMNAQCCISPIIBD-UHFFFAOYSA-N 473.960 5.211 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N(C)C)c4ccccc34)CCC2)cc1 1790567339 IFSQYJPYCBIMBX-HXUWFJFHSA-N 486.616 5.454 30 20 JKED C=CCNC(=O)/C=C\C(=O)NC1(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)CCC1 1790620638 DRJRUYDSDOXZBB-ZCXUNETKSA-N 495.579 5.085 30 20 JKED Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)c1 1790816647 SCGQHPRNIYJROE-UHFFFAOYSA-N 476.577 5.394 30 20 JKED Cc1cccc2[nH]c(C(=O)NC3(c4ccc(NC(=O)c5n[nH]c6ccc(C#N)cc56)cc4)CCC3)cc12 1790836220 YIFHHLJKZVKVKL-UHFFFAOYSA-N 488.551 5.286 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790948077 WVDYVAWTDOEYDX-UHFFFAOYSA-N 452.514 5.479 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)cc2)CCC1 1791146085 BHEDVHXYBDHRHF-MOPGFXCFSA-N 486.534 5.067 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CCC2)cc1 1791585629 JEKKJHHMPUXPAE-UHFFFAOYSA-N 460.965 5.281 30 20 JKED Cc1nc[nH]c1CSCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124826 KLTKBOLLDNBQJV-GOSISDBHSA-N 487.629 5.026 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@]3(C)CC3(F)F)cc2)CCC1 1792246910 KKXFEEBOVRYSSS-CYFREDJKSA-N 491.579 5.025 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4cccc(Br)c4n3)CCC2)cc1 1792267391 VIGCMLRVBQNNPD-UHFFFAOYSA-N 476.374 5.158 30 20 JKED Cc1ccc(-c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(C#N)c3Cl)C4)c[nH]2)cc1 1794590493 BFLDUTHTNPXAHP-KOUNCHBCSA-N 472.976 5.081 30 20 JKED CC[C@@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)nc1C(F)(F)F)c1ccccc1 1796458592 LOEKPNNSHXCOCS-CKSGFJDPSA-N 498.549 5.054 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4occ(Cl)c4c2)C3)cc1C#N 1803842555 GVROWKHZZWHMIH-WKCHPHFGSA-N 491.975 5.311 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(-c5nc6ccccc6[nH]5)cc4)CC3)C2)C1 1804787203 NPFIWUDKXYKPHA-UHFFFAOYSA-N 468.601 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3ccc(C(C)=O)cc3)C2)CC1 1805670334 SRZWMOIEHBWDFY-SANMLTNESA-N 480.649 5.048 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C(C)C)cc3)CC2)C1 1806366785 KVDUWVIBLOKQPG-DEOSSOPVSA-N 497.680 5.124 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@H]1c1cccnc1 1806997797 CEQQHMDOTPKGPB-NXRYLIIBSA-N 498.671 5.234 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC4(CCN(C(=O)c5cccc([C@@H](C)C#N)c5)CC4)C3)c[nH]2)cc1 1807425350 PESGBQYNRPXQFB-QHCPKHFHSA-N 494.639 5.776 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1809549257 OSGVMBWEOOUTAR-DSYNPFFXSA-N 478.036 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1810501552 BBIVUXWSXFQWBG-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc4ccoc4c3)[C@H]2c2cccnc2)c1 1813868205 LLRDTXJLDLYWMF-KAZGAHJFSA-N 478.552 5.088 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)cc1 1814380889 BJXYUBXUWIIMGY-NRFANRHFSA-N 497.933 5.152 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3[nH]c4c(Cl)cccc4c3C)[nH]n2)C1 1814394135 DPTXNJXMFFLJNF-IBGZPJMESA-N 451.958 5.125 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)[nH]n1 1814828669 DDACGUCGEAYHJD-OAQYLSRUSA-N 463.607 5.402 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1814829232 BLXIKHVXFJKMNO-NRFANRHFSA-N 466.969 5.884 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3cccc(Br)c23)n[nH]1 1814949408 AZJSAURIPWLGRJ-MGPUTAFESA-N 498.425 5.101 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cc(F)cc(F)c2)n[nH]1 1817765249 KUGKETVYIIOMCE-NZQKXSOJSA-N 499.587 5.010 30 20 JKED Cn1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc2ccccc21 1818438876 GAIBUADLMIZNSC-OAQYLSRUSA-N 486.963 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2Cl)[nH]n1 1819303458 WKRFRPHOTKUQAB-NQIIRXRSSA-N 458.965 5.205 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)[nH]n1 1819305336 RLNWSWHEWJPPNI-LFAGZIFBSA-N 475.637 5.235 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1819309369 TXIDCTDKCZMDRM-CTNGQTDRSA-N 485.510 5.374 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCOc2ccccc2)[nH]n1)c1ccccc1 1819518445 QFDVHNLJQPPELD-AHWVRZQESA-N 484.600 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)[nH]n1 1819556029 PFESUJBFUYZRSE-RUZDIDTESA-N 499.615 5.583 30 20 JKED COc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)ccc1C 1820601561 MFZPVACQUBJWTP-JOCHJYFZSA-N 480.685 5.084 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821047411 LRHBHZDRXZWPIG-YADARESESA-N 474.561 5.099 30 20 JKED COc1cc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c(C)c1 1821254783 GPHKQDSEISUAGL-QFIPXVFZSA-N 491.979 5.180 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)n[nH]2)C1 1821363545 CPZBHUGRUVQRPH-DEOSSOPVSA-N 476.527 5.627 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1821987900 WTDHGIDZJPWCGN-INIZCTEOSA-N 490.860 5.599 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 1822342201 OZWPCIHVGVJUIN-AZUAARDMSA-N 494.583 5.107 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3csc4c3CCCO4)[nH]n2)c1 1823212953 QSJMUMPQQIOTJC-ZHRRBRCNSA-N 489.601 5.043 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccc3ccc([N+](=O)[O-])cc32)CC1 1824369729 ROCQLEQYLIWNGI-DEOSSOPVSA-N 494.636 5.162 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1824539930 FCTRRLGNOWVQQP-VQTJNVASSA-N 489.028 5.129 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825094394 VWJUDFFPYBQHRX-HLZIPSDMSA-N 459.634 5.569 30 20 JKED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)CC2 1825124769 LNDROEAHSUBIJX-NVXWUHKLSA-N 474.586 5.322 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1827684560 IKFBAKMMPWVOSR-VQMHNJBBSA-N 478.658 5.219 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)c(Cl)c1 1827985270 QXMZYSKGQYAFRB-LJQANCHMSA-N 460.361 5.005 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1828342712 PAHNGMNKXHJIHB-DEOSSOPVSA-N 496.076 5.546 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1 1829066569 JRGDHYGRPHBLPD-HYBUGGRVSA-N 456.593 5.516 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)CC1 1829290357 PPJXJDXURBOZDO-NOZRDPDXSA-N 461.606 5.343 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)c1 1829955008 BLZZYTXPDMJTLP-LJQANCHMSA-N 476.429 5.474 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)CC1 1830292613 XACCEBOWQRQYOP-SANMLTNESA-N 479.640 5.529 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CCC1 1830806559 IKBVJPADRPTZAF-AREMUKBSSA-N 491.582 5.559 30 20 JKED Cc1cccc2c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)n[nH]c12 1831006212 XSYWPZPBAKVPFM-CPJSRVTESA-N 483.616 5.046 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831749886 HJZBHAFZFNXFAD-HSZRJFAPSA-N 475.460 5.448 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)s1 1832174048 QDDHXNSBUGGCBW-ZEWVGQQJSA-N 461.631 5.069 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1832828739 BWMPLSKWAQWMGJ-SANMLTNESA-N 493.047 5.566 30 20 JKED C=C1CC(C(=O)N2CC3(CCCN3C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)C2)C1 1844724251 QNJISTXKHBLPDX-UHFFFAOYSA-N 460.540 5.536 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccccc2CSc2ccccc2)c1 1847472512 VEIOHYWVULZZBE-NSOVKSMOSA-N 495.648 5.299 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)n(C2CCCC2)c1C 12473998 UMXFGVFWXPIMIK-UHFFFAOYSA-N 499.040 5.183 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cs1)c1ccc(F)cc1F 15188015 WLVNXZGNHIPYNB-QPJJXVBHSA-N 453.297 6.309 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)nnc1-c1ccccc1 16696701 UAEPMBAPKOQCDP-UHFFFAOYSA-N 474.565 5.114 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)N(CCC#N)c1ccccc1 21684967 PCIANYLSBZOYHU-LJQANCHMSA-N 457.559 5.014 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22729529 ZQJWDUARTVMZNG-UHFFFAOYSA-O 461.651 6.338 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 22731105 FBKFAORMRQOPJW-UHFFFAOYSA-O 489.404 6.111 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 23553307 MEYPEOXFBFTFMN-UHFFFAOYSA-N 492.029 6.042 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCc3sccc3C2)nnc1-c1ccc(Br)cc1 24015591 FDNMAZGFQHXZSB-AWEZNQCLSA-N 489.464 5.021 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1)c1nc(-c2ccccc2)cs1 26119343 FBQUMIVWBAVHJQ-GOSISDBHSA-N 486.557 5.047 30 20 JKED C=CCN(C(=O)c1nn(C)c(=O)c2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769945 ZPDQNLSGHBIGEX-UHFFFAOYSA-N 471.369 5.197 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nnc1-c1ccco1 29547610 AMEDOWKUPHVMNV-IBGZPJMESA-N 493.976 5.441 30 20 JKED Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1F 78718974 KHPZOMSFSYDOJJ-HXUWFJFHSA-N 456.304 5.688 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 105095123 OSZLZHIEANTQDL-UHFFFAOYSA-N 463.946 5.680 30 20 JKED N#CCCN(CCC#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 206812160 MYGWYTZGSPVNKT-JZJYNLBNSA-N 498.970 5.188 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2cccc(C)c2)cc1 255935830 YUXXJCKDRFJEFV-IBGZPJMESA-N 475.618 5.075 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 478957871 JDCBQCYZYSRAIU-UHFFFAOYSA-N 465.578 5.755 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)c2)cc1 482016221 NTSBHGDKDYMXNM-UHFFFAOYSA-N 491.425 6.467 30 20 JKED Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 485099382 BYHRXUWDXCSEGX-UHFFFAOYSA-N 471.991 5.052 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)[C@@H]1CCCc2ccccc21 486263508 UOVHENDPXJDXSW-JOCHJYFZSA-N 483.037 5.325 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 492877893 NLRPIIMYRPEZAF-JOCHJYFZSA-N 461.656 5.554 30 20 JKED C=CCc1cc(CNC(=O)C(=O)Nc2ccccc2Oc2ccccc2Cl)cc(OC)c1OC 497928733 WXPAIJLXWMGHPF-UHFFFAOYSA-N 480.948 5.133 30 20 JKED Cc1ccc(C(=O)c2c(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)sc3c2CCC3)cc1 498361931 GWAFGIBCTYVWDB-UHFFFAOYSA-N 492.622 5.106 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CC1 501145275 UDWSQNALAHIPBV-UHFFFAOYSA-N 489.885 5.055 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)nnc1-c1ccc(OC)cc1 501227823 LKBPBFBAMPXWKY-CQSZACIVSA-N 453.955 5.696 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(Oc4ccccc4)nc3)c2)cc1 503063012 XNJKZWIKMNYCGR-UHFFFAOYSA-N 464.525 5.841 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1 505709668 UDUDAPBHBBJSJS-UHFFFAOYSA-N 457.511 5.647 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 508398288 BPQWOZZHOZKXHT-UHFFFAOYSA-N 483.549 5.190 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccccc3)c3nccs3)c2)cc1 509560589 OIXDZNDJUXIAME-XMMPIXPASA-N 454.555 5.699 30 20 JKED C=CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)c1 510067046 YCOUDEJWCCQGJI-UHFFFAOYSA-N 493.404 5.129 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3(c4cccc(F)c4)CCOCC3)cc2Cl)cc1 512088214 NFHVZJBMDCHMBT-UHFFFAOYSA-N 450.897 5.830 30 20 JKED Cc1nc(SCC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c(C#N)c(C)c1C 512317735 FYXMMBRJEZAOBJ-UHFFFAOYSA-N 464.978 5.515 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 512343949 SMQFVXDTBTXPGE-UHFFFAOYSA-N 460.555 5.106 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(CSc2ccccn2)c1 512656789 PSCWNOFGTCNPLZ-UHFFFAOYSA-N 498.402 5.424 30 20 JKED COc1cc(Br)c(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 513876509 NWYJVMVZTHOZJF-UHFFFAOYSA-N 498.352 5.711 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccco1 515341065 UXOIUIMCSVWAQR-CGBFIWBNSA-N 461.591 5.528 30 20 JKED C[C@@H](NC(=O)NCCSCc1ccccc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 515829151 PCMXKMSRBNOPQC-GOSISDBHSA-N 476.577 5.243 30 20 JKED C[C@H](NC(=O)NCCSCc1ccccc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 515829153 PCMXKMSRBNOPQC-SFHVURJKSA-N 476.577 5.243 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)C4CCCCC4)c3)n2)cc1 516270005 JTOJCBYBRXYOLC-JOCHJYFZSA-N 459.571 5.828 30 20 JKED COC(=O)COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 516464985 HPLNCBRSGPCYPO-MRXNPFEDSA-N 461.326 5.159 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1 517360713 SAMBYVBIBQUKKL-UHFFFAOYSA-N 457.477 5.117 30 20 JKED N#Cc1cccc(COc2cccc(CNCc3nnc4c(Cl)cc(C(F)(F)F)cn34)c2)c1 517547507 XGMIDJSZHWNXEF-UHFFFAOYSA-N 471.870 5.142 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 518671404 AFUZUYBBONTAJF-UHFFFAOYSA-N 487.519 6.040 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 518754709 YBXZVXNBXPIACC-LIRRHRJNSA-N 450.391 5.993 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(OCc2ccccn2)c1 519988951 USXJTQYXEQVMMX-HXUWFJFHSA-N 464.525 6.207 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 520138990 ZKPPSVOJKODAGZ-UHFFFAOYSA-N 456.596 5.537 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 520140047 RMYCDHWELSBVDH-UHFFFAOYSA-N 457.939 5.041 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 520168253 BYESUNLDJBLJLM-UHFFFAOYSA-N 463.562 6.355 30 20 JKED N#Cc1cc(NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1OCC(F)(F)F 520456265 YWWMWPBORYOZMH-UHFFFAOYSA-N 483.372 5.026 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 523378744 BCFWJMDJNVRJFM-UHFFFAOYSA-N 482.397 5.045 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2OC(F)(F)F)cc1 523872468 NGYQPQCTZCKXKC-UHFFFAOYSA-N 457.427 5.508 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccccc1SC[C@H](C)C#N 557535246 WBHJJLJGBDCPER-LJQANCHMSA-N 451.595 6.643 30 20 JKED Cc1c(Cl)cccc1-n1c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccncc1 589710802 JXKFIMCRLQRULM-JOCHJYFZSA-N 486.988 5.060 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 603495071 JHOZQXHKHRPXPC-UHFFFAOYSA-N 455.461 5.254 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603739852 MQEMQYMBFRTSCB-UHFFFAOYSA-N 494.511 5.029 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 604084955 NYDXYNZBBPOVDH-UHFFFAOYSA-N 488.642 5.903 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 609061257 XUIVVJCURYVXFW-UHFFFAOYSA-N 496.611 5.348 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209843 POKSARBGWMGBRN-HXUWFJFHSA-N 483.572 5.490 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 609378481 NNMIYJVFAKNVOZ-UHFFFAOYSA-N 480.899 5.986 30 20 JKED N#CCCSc1ccccc1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 609378726 HLYFQKOZSUDSEZ-UHFFFAOYSA-N 463.382 5.138 30 20 JKED Cc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 609403283 JJOXLXMRHKDPCL-LJQANCHMSA-N 461.509 5.322 30 20 JKED N#C[C@@H](C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346091 CKYIVFNAOZRGMD-HKUYNNGSSA-N 473.381 6.165 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 623527639 VLBCKTHIKFZLFK-SRVKXCTJSA-N 496.439 7.191 30 20 JKED O=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 623654945 ZWCPIRLABDYDMF-KBPBESRZSA-N 465.369 5.285 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1 641906517 SFHOSHGQXFGLLH-ISLYRVAYSA-N 464.525 5.874 30 20 JKED C=CCOc1c(Br)cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OC 642196155 JTFOPJZAQSGFIB-STQMWFEESA-N 490.282 6.022 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 642282076 JAWJAGWKIFOKOE-GFCCVEGCSA-N 475.473 6.020 30 20 JKED COc1ccc(N2CCC(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 726694433 BPVIBMRKLGFJSC-RUZDIDTESA-N 474.992 5.795 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1Cl 728268565 OBENPQJBNDWJGQ-UHFFFAOYSA-N 462.981 5.790 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2scnc2C)cc1 729146525 SHFYRDPTKRBIGJ-FQEVSTJZSA-N 464.616 5.229 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCSc2ccccc2)C1=O)Nc1cccc(O)c1 731305880 HOPTXLQOYBGZDJ-JOCHJYFZSA-N 477.611 5.145 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(Cl)cc2)cc1 731306263 UPMDAWYHUZXFGP-JOCHJYFZSA-N 495.988 5.215 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1ccccn1 731311059 VSYQMXBIXPKPSV-PGRDOPGGSA-N 474.586 5.126 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1 743524066 FXYGBYMTZNXRDO-HSZRJFAPSA-N 476.577 5.306 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744935718 FWHOPZMXRZFUJV-AWEZNQCLSA-N 454.338 6.112 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2F)cc1 745584669 QDRQPYDRSQAFCB-QFIPXVFZSA-N 499.514 5.273 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc3ccccc3[nH]2)cc1 746697689 JTBHTQWVDZTDQL-XMMPIXPASA-N 484.581 5.337 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC(F)(F)F)cc1 746972958 PDMTYULCWIBWBF-KRWDZBQOSA-N 469.460 5.095 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc(-c2ccccc2)cs1 747111175 AMJMVXWTHKJQSP-KRWDZBQOSA-N 470.406 6.659 30 20 JKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 748583510 FIZOSHPNQMANPJ-GDNBJRDFSA-N 480.480 5.300 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSC4=NCCS4)c3C#N)C(C)(C)C2)o1 796894817 YNYADYQRZRYKKY-ALCCZGGFSA-N 469.657 6.074 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 799218958 LYBODLQGFIWEKX-HNNXBMFYSA-N 459.852 5.002 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccccc2C(=O)N(C)C2CCCCC2)ccc1Cl 802180868 UJABWKVBMZZYBV-UHFFFAOYSA-N 496.007 5.157 30 20 JKED C[C@@H]1C[C@H](C=Nn2cnnc2SCc2ccc(Cl)cc2)CCN1C(=O)OC(C)(C)C 807957845 ADJWDJRGBMGMQI-NVXWUHKLSA-N 450.008 5.093 30 20 JKED C=CCOc1c(Br)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OC 812442543 FNEFFDCBAYTYBD-UHFFFAOYSA-N 493.814 5.442 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 818165410 GOXSTOBVGJXHTR-UHFFFAOYSA-N 499.589 5.167 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccncc1 831907196 PTXGMYKALFJXMM-QGZVFWFLSA-N 471.611 5.836 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1ccccn1 838190633 OIROGKHFPMSYHM-FDDCHVKYSA-N 458.587 5.366 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)[C@@H](C)c1ccc(C#N)cc1 914509468 MFOHIECOCUIQNP-IBGZPJMESA-N 496.032 5.256 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H](c2ccccc2)C2CC2)C1=O 914537782 FCWIWUPDCVYPKG-AZUAARDMSA-N 475.586 5.220 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915199822 MXPKXYOHAPCMLY-RPBOFIJWSA-N 457.599 5.141 30 20 JKED Cc1cccc(-n2c(-c3ccc(Cl)cc3)nn(CN(CCC#N)Cc3cccnc3)c2=S)c1 915795768 MJCGZVAJSKNCAE-UHFFFAOYSA-N 475.021 5.800 30 20 JKED C=CCN(C(=O)c1cccc(N2CCOC2=O)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 915830926 XIISETSGDHIYCD-UHFFFAOYSA-N 474.369 5.906 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1Cl 916056794 IFRWKBPOPYEQOF-NRFANRHFSA-N 451.016 6.726 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)cc1 916207133 VNYAIPYZRVKQQY-XMMPIXPASA-N 490.604 5.547 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 916208156 VAQCFYSARQNSAA-FQEVSTJZSA-N 493.551 5.401 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(Cc3ccccn3)C2=O)cc1 916211397 NUMNEWBVZFDRFC-NRFANRHFSA-N 496.539 5.152 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc12 916905167 IHVKXFPJPQYFMD-QGZVFWFLSA-N 483.380 5.723 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916910385 XDPYESAFLDATRX-RPBOFIJWSA-N 466.537 5.227 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 916917481 HFOZBYUQQPKHHY-IBGZPJMESA-N 453.361 5.183 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C2SCCCS2)cc1 916927028 CSWZAEJVTUNNLG-HNNXBMFYSA-N 451.400 5.823 30 20 JKED Cc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1F 916976557 SHMQAVXXCJVECL-YJBOKZPZSA-N 453.926 5.140 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccs1 916976576 SOIBCPJRMRCZGB-OAHLLOKOSA-N 486.047 5.772 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977161 LOWXHGUYWAEYEB-DHIUTWEWSA-N 485.996 6.201 30 20 JKED C=CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 916977201 MQLDULVJXCDBKZ-OFCRBKOVSA-N 450.947 5.927 30 20 JKED N#C[C@H](C(=O)CSc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997299 VBZULYPYXHBQOR-OAHLLOKOSA-N 477.394 5.857 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(OC)c1 917031231 YUFXTFRPIRTOAM-UHFFFAOYSA-N 493.976 5.039 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 917504402 CDWDXOGGIWAVFX-HXUWFJFHSA-N 497.576 5.804 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)cc1 918446770 ANUJIWJNVOPBHY-VPUSJEBWSA-N 497.957 5.979 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1C 919049755 DTYPXKPDPNHBDB-UHFFFAOYSA-N 486.503 5.058 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c2ccccc21 919296182 MGQBLDPQCDIKLX-UHFFFAOYSA-N 496.548 5.276 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 919467963 OFBBDRNZFXVYSX-HNNXBMFYSA-N 471.376 5.224 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 920103785 CBSBLXYXTQXZAX-IBGZPJMESA-N 453.546 5.367 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(COc2cccc(Br)c2)o1 920106006 QWOFGODBLZZQTA-LJQANCHMSA-N 477.314 5.616 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)c2cnn(C(C)C)c2n1 920106517 QTAAXDHCWPJMOI-QFIPXVFZSA-N 475.552 5.983 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 920144006 VWQWWIKPPKAXMX-BLLLJJGKSA-N 491.794 5.878 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccc(C)s1 920168287 KBHUGNWDQSOGFB-AOMKIAJQSA-N 497.617 5.926 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)Cc2csc(Cc3ccc(F)cc3)n2)n(C2CCCC2)c1C 920913506 PFTLDTRBRVPAPF-UHFFFAOYSA-N 494.592 5.003 30 20 JKED COc1ccsc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786042880 YSSRMKPOQGPGLK-UHFFFAOYSA-N 459.571 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1786143405 JCEQQHDGOQODKG-UEVCKROQSA-N 495.664 5.511 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3nc(Cl)ccc3F)CCC2)cc1 1788649749 ZJHCWPAJMPRADE-PKNBQFBNSA-N 483.952 5.122 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cc1 1790082938 VVPYJRIIHPNTGD-UHFFFAOYSA-N 468.944 5.339 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4c(Cl)cccc4c3C)CCC2)cc1 1790564742 NDAIEWOYYVRGDE-QGZVFWFLSA-N 480.996 5.678 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccc(OC)c3OC)cc2)CCC1 1790717793 KGVSSDOSBNCTDI-FQEVSTJZSA-N 466.553 5.359 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccoc4)CCC3)cc2)ccc1Br 1790744858 WRYHUQSGFXNKCQ-XNWCZRBMSA-N 490.357 5.375 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4CCCCO4)CCC3)cc2)cc(C(F)(F)F)c1 1790785312 DYBZMTLVYBIGEG-JOCHJYFZSA-N 485.506 5.284 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ccoc45)cc3)CCC2)c(C#N)c1 1790957217 XOZHIBLSGGQBQP-UHFFFAOYSA-N 479.536 5.303 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)n3)CCC2)cc1 1791300651 UGMPTPVLQUONSG-UHFFFAOYSA-N 453.411 5.060 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)no3)CCC2)cc1)C(F)(F)F 1791302714 UXWWSVIVPWTGBK-UHFFFAOYSA-N 455.436 5.208 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc4c(c3)C(=O)c3ccccc3CO4)CCC2)cc1 1791586362 QTCYTOKMLWOVEH-UHFFFAOYSA-N 480.564 5.063 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)C4(F)CCCCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681284 CXVJFGQBZGMRHC-QFIPXVFZSA-N 499.627 5.359 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC=C(C)C)CCC2)cc1 1792337439 NMYIJOAWVJDWQS-PIIWDFAUSA-N 481.637 5.336 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)c1 1800686176 DJPFPIKHHWQNAK-ACDBMABISA-N 482.515 5.004 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3[nH]c(C)cc3c2)[C@@H]1c1cccnc1 1802499805 JEDYYFKDNVUZPW-RCZVLFRGSA-N 458.606 5.183 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)cccc1C(F)(F)F 1803837394 PSOXSAARSZLVGK-BJWYYQGGSA-N 475.898 5.105 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ncc(Cl)cc3Cl)C2)CC1 1804739590 FARAMUWSOMUCCJ-UHFFFAOYSA-N 452.426 5.226 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)C1 1804868572 JPTOSPVGMNBRHV-MXVIHJGJSA-N 456.593 5.579 30 20 JKED Cc1csc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)C2)c1 1807050190 FQNLDIXYFGLOQF-OAQYLSRUSA-N 463.647 5.161 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810070926 PHOJTKQPHNPXPP-NLFFAJNJSA-N 477.008 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1810501847 DALAKTLYCSRELA-WMMXXEOUSA-N 453.671 5.542 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c1Cl 1811421395 ZHJKMPCMQJGBSU-FDDCHVKYSA-N 497.357 5.033 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 1811935898 GLXJDRNXYTULSQ-FDBFMKMFSA-N 499.014 5.038 30 20 JKED CCCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1812036301 XTHROLKIHOCMTF-ZEQKJWHPSA-N 487.003 5.193 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812220205 NDLDISGLHBIVOB-JQYIIUTOSA-N 473.642 5.693 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1813757871 NAOPIWAPYMBRSK-UFHPHHKVSA-N 487.720 5.330 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2OC)[C@H]1c1cccnc1 1813907289 ANNHYMLZYNIQIZ-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813968644 XPROBYVDUHGBFZ-KNQAVFIVSA-N 491.529 5.552 30 20 JKED CCSc1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814355954 HNFLZYGLZRTFCV-VGSWGCGISA-N 488.617 5.163 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OCC(F)(F)F)cc3Cl)[nH]n2)C1 1814396864 KVVIKTZSMMKFKM-IBGZPJMESA-N 496.917 5.276 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1814828451 MSVRPLQQQNAJAS-HSZRJFAPSA-N 477.996 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cnccc2C(F)(F)F)n[nH]1 1815793889 QLZGYQYRYXMJGW-FQEVSTJZSA-N 491.558 5.441 30 20 JKED Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)cc1 1816947584 ZAWJJXLJMJNOIE-QFIPXVFZSA-N 495.505 5.157 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817754601 NNPJVHLXDARAIV-NRFANRHFSA-N 497.983 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593062 WKMZFAQKHDUGSJ-VGSWGCGISA-N 465.985 5.619 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)ccc3c2OCO3)n[nH]1 1818600002 LKYYHFMAURDPPS-QGZVFWFLSA-N 472.973 5.090 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3o2)n[nH]1)c1ccc(O)cc1 1818632981 RLADEPGGLQUFKV-RDPSFJRHSA-N 496.567 5.365 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)oc3cc(O)ccc23)n[nH]1 1818659302 DCNWDPYACHQRSJ-FQEVSTJZSA-N 464.566 5.468 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cnccc34)n[nH]2)c1 1819129896 QXDCNKMYOSBRBN-AVRWGWEMSA-N 478.556 5.205 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc3ccccc3o2)[nH]n1)c1ccccc1 1819520491 JZDRYLHUSXEUJB-OFNKIYASSA-N 481.556 5.054 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)[nH]n2)c1Cl 1820223278 KSRGVHZGYGFGHL-IBGZPJMESA-N 486.334 5.347 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)[nH]n2)c1 1820485961 NUUNOMATRAGLEY-NRFANRHFSA-N 472.936 5.036 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(C)CC=CCC2)[nH]n1 1820910478 ISQKSGNOSYDGAJ-FCDUAZGNSA-N 499.656 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N3CCCCC3)cc2)n[nH]1 1821137268 QOUIERSDUVILEB-ILBGXUMGSA-N 475.637 5.474 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)cc1 1821180432 ULCMDUWDGKKGQM-BYUVYSIJSA-N 479.540 5.241 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ncccc34)[nH]n2)c(Cl)c1 1821277793 IRCLWKRBRXFOFX-QHCPKHFHSA-N 484.947 5.103 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)Sc3cccs3)[nH]n2)c1 1821324593 AWJQTZFKANUXCQ-OXJNMPFZSA-N 479.631 5.138 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)n[nH]1 1821476098 KFLNATJWUIBPAU-KRWDZBQOSA-N 490.789 5.189 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occc4c3O)n[nH]2)c1Cl 1821502473 CXTBPEBIJNEKMO-IBGZPJMESA-N 489.919 5.006 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(F)c(Br)c2)[nH]n1 1821923410 IRFWSBSOAATHDX-QRWLVFNGSA-N 491.405 5.148 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1821987865 WAJFTGDXCLKXFE-IBGZPJMESA-N 473.911 5.129 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 1822346402 MJFSDVYGMVFMIN-IBGZPJMESA-N 492.567 5.072 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCN(C)C(=O)OC(C)(C)C)n[nH]1 1823523357 JPAAGJWVUKFTGG-FQEVSTJZSA-N 489.661 5.041 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1823677794 GDHMCYOXEFWVEB-SANMLTNESA-N 489.019 5.434 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1823886482 GTGLKUNAOCPCIJ-VWLOTQADSA-N 459.590 5.262 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1824141299 YNNCIQKYXXUNTJ-OAQYLSRUSA-N 466.544 5.609 30 20 JKED O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824407751 ISVMNSDXBORMDY-NRFANRHFSA-N 497.850 5.059 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1824511311 ZCKZFAKZMALSJV-PXNSSMCTSA-N 475.054 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825436146 XZHZDWDILVYNNL-IXCJQBJRSA-N 489.660 5.692 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1825441790 OCLUSINKEKVDAN-CJFMBICVSA-N 474.649 5.486 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)c(Cl)c1 1826504395 NJRALZQUMDBKPE-XMMPIXPASA-N 484.427 5.341 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2C(C)(C)C)CC1 1827296826 LLAZBSMKWAUZRL-ISKFKSNPSA-N 451.655 5.381 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nn(CC)c3ccccc23)CC1 1827342669 RABUCPUHIMNDOU-ISKFKSNPSA-N 462.638 5.058 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccnc2C(C)(C)C)CC3)c1 1827693474 QLWWVSSFPVVKRZ-VQIMIIECSA-N 487.629 5.002 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N[C@@H]3CCc4nc(NC(=O)c5cccc([C@H](C)C#N)c5)sc4C3)c2c1 1827694661 ZJZXXQGNDRBQJZ-DYESRHJHSA-N 497.624 5.028 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828357744 ZIYRURHJDRQPQO-NELJVSICSA-N 456.533 5.277 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C)cc2C(F)(F)F)CC1 1828828304 HJWZLYNKWYBHRP-UGKGYDQZSA-N 465.560 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1828829018 CHMLTUQHPYCHCF-KNQAVFIVSA-N 464.984 5.620 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1828885950 PBMFUZNXYWZCRG-RRPNLBNLSA-N 490.644 5.285 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828906256 CBVCJMAUKWXSKI-RCZVLFRGSA-N 498.706 5.575 30 20 JKED CCOc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828907232 ZZPYLXKCEJRLSO-VWLOTQADSA-N 482.741 5.370 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828919139 WQVOXTMIZMKVKT-IRVFAMIHSA-N 460.707 5.074 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829570173 IAARFIXGTHGBON-DVECYGJZSA-N 474.605 5.268 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573947 PBJGVGSMCWFNKN-GBXCKJPGSA-N 473.617 5.873 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)ccc1Br 1829958218 BJHAGIZZKVKRIT-XMMPIXPASA-N 494.433 5.176 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1830011507 RVVJXHALMGAHKE-KBMIEXCESA-N 464.009 5.249 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(C)cccc3Cl)CC2)c(C#N)c1 1830595988 RNKWIGCHKMSDRZ-RUZDIDTESA-N 494.035 5.005 30 20 JKED O=C([C@H]1[C@H]2SC=C[C@H]21)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830604322 CITXJQZLCWULPJ-FKWFRFQNSA-N 496.676 5.195 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ccccc4c3Br)CC2)CC1 1830987982 QROCUCORRTWMCO-JOCHJYFZSA-N 494.433 5.139 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1831371191 UYNBOVIZFZBQPU-CPJSRVTESA-N 463.597 5.333 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831377448 ZSLTULOIRGXABL-HOYKHHGWSA-N 454.014 5.334 30 20 JKED COc1cc(F)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832533568 RSHVALZFOCQDJM-DEOSSOPVSA-N 486.704 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCCCC3(F)F)CC2)c1 1832629402 PGPWQLPKDVXRFL-VEXUSMLFSA-N 471.592 5.372 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c1 1832632219 MVDRXEKDDBWDBF-KBMIEXCESA-N 486.641 5.470 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccnc(C(F)(F)F)c3)CC2)c1 1832633331 BASGYKXRDGBOMV-WZONZLPQSA-N 498.549 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 1832634309 UPNLTMYHKJIOFW-KBMIEXCESA-N 497.561 5.880 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3nc4ccc(C)cc4s3)CC2)CC1 1837581301 VXQYBWUXSLVZSK-UHFFFAOYSA-N 483.678 5.209 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2scc(-c3ccccc3)c2c1=O 9041737 NVNCVUVJSDDNRA-MRXNPFEDSA-N 477.611 5.439 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F 10832442 FEQQNYPKKIFALH-UHFFFAOYSA-O 457.953 5.835 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159280 GTLPLELSEBKNMU-UHFFFAOYSA-O 494.414 6.908 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(C)c(C)c2)cc1 11160030 SZBJCPMUBWLRNF-UHFFFAOYSA-O 458.434 6.511 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccco3)n2CC(C)C)n(C2CCCCC2)c1C 16664550 GQXKELQUDKSGOG-UHFFFAOYSA-N 480.638 5.720 30 20 JKED N#CCN(C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)c1ccccc1 23421190 GIKBTSIPEPYGNR-UHFFFAOYSA-N 495.395 5.285 30 20 JKED COc1ccc2c(c1)c(C(=O)OCC(=O)Nc1sccc1C#N)c(C)n2C1CCCCC1 23883689 ZBLZYBVPSGHZFN-UHFFFAOYSA-N 451.548 5.192 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 26514535 DEHNCZKGUUHIHT-CQSZACIVSA-N 460.481 5.085 30 20 JKED CC[C@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCc2ccccc2C1 32446112 WCINVJFXUJJRPB-RUZDIDTESA-N 455.627 5.417 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCSc3ccccc32)c1 32897413 ZNTCHOUYUPFRLQ-UHFFFAOYSA-N 499.057 5.864 30 20 JKED C=CCn1c(SCc2csc(NC(C)=O)n2)nc2scc(-c3ccccc3)c2c1=O 45255548 WWVRYRMNQVMRJX-UHFFFAOYSA-N 454.602 5.018 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 46667775 JRACTNRDVFGQGN-UHFFFAOYSA-N 456.546 5.110 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 108422753 ILHFJLJKSVJJFW-UHFFFAOYSA-N 473.360 5.378 30 20 JKED COc1cc([C@H](C#N)NC(=O)CCN2c3ccccc3Sc3ccccc32)cc(OC)c1OC 110573614 QMEWRMCCCMLGTE-SFHVURJKSA-N 475.570 5.086 30 20 JKED COc1ccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC 208140542 TZANYGVSMSQLKL-PMICNGQHSA-N 495.575 6.012 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 476822382 DJVUCPKVXCSZQN-UHFFFAOYSA-N 453.420 5.144 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cccnc3SCc3ccc(C(N)=O)cc3)c2)c1 480035040 BUEGDPNQAGBBGU-UHFFFAOYSA-N 494.576 5.176 30 20 JKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 481618976 BDTMMAHOEHXMCT-KRWDZBQOSA-N 463.509 5.566 30 20 JKED COc1cccc(/C=C(/CC(=O)Nc2cc(C#N)ccc2OC)c2nc3ccccc3s2)c1 494149088 MJDREGXJYVQYGU-UNOMPAQXSA-N 455.539 5.755 30 20 JKED COc1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1 497893218 PNWVRNZZAJPZFU-UHFFFAOYSA-N 478.932 5.259 30 20 JKED C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 500587978 GWVFVXZHZKMENM-LBPRGKRZSA-N 475.364 5.246 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)c1C 501580734 NGMKGFBUUZOOKC-UHFFFAOYSA-N 465.598 5.396 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Br)cc3)cc2)cc1 503199879 MHFDLNGTQRJFPK-HSZRJFAPSA-N 490.357 5.356 30 20 JKED CC(C)(C)OC(=O)c1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nn1-c1ccccc1 503572320 NMBRPDIOSMJMOS-INIZCTEOSA-N 478.961 5.581 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1Cl 503584585 HQEFKEHCTRKHQI-BWKNWUBXSA-N 493.051 5.049 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511085916 MDNPOTHAUGXXMQ-UHFFFAOYSA-N 497.555 5.689 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)cc1 511337081 DJGJSKDOSQLQFI-OAQYLSRUSA-N 477.967 6.363 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(C(F)(F)F)cc1 511484969 UYLAAPIMWMBAIF-QGZVFWFLSA-N 481.474 5.166 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 513027081 JAGXJLSJVJIOOK-HNNXBMFYSA-N 470.982 5.563 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)cc1 513982242 ACWHUYTXEQIPLW-UHFFFAOYSA-N 456.384 5.120 30 20 JKED C=CCn1c(SCCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccc(F)cc1 514486903 PSRLMHRYBXCLCF-HSZRJFAPSA-N 478.618 5.720 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1ccco1)c1ccc(F)cc1F 515626660 WWTALDWWJJBGQV-UHFFFAOYSA-N 491.288 5.203 30 20 JKED CC(=O)Nc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)c1 518130113 KFGKWUHZVFCHSA-CQSZACIVSA-N 498.659 5.365 30 20 JKED CSc1nccn1-c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 518870873 JRHHPRVPMMQWSP-OAHLLOKOSA-N 452.511 5.486 30 20 JKED CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)n2)cc1 519131643 WTGXGCFHLYDDNX-AREMUKBSSA-N 480.568 5.753 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 519515320 CFSCIKVDUWTINC-GOSISDBHSA-N 471.648 5.286 30 20 JKED Cc1cc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n(CCC#N)n1 520112475 PBLVSOIAAYNUQJ-UHFFFAOYSA-N 464.532 5.027 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C2CC2)o1 520194088 DXSZACKOOOXTRY-MZNJEOGPSA-N 455.514 5.197 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 521329591 IYUDCGCEUGHRPM-AWEZNQCLSA-N 484.672 5.542 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 521769080 NVJQATFQMPFZFK-JOCHJYFZSA-N 456.571 5.660 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 521811947 ZYUWNRFHWKQYJD-MOPGFXCFSA-N 465.623 5.220 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccc3c(c2)OCO3)n1 524614191 XNRDCFRMZFETIM-HNNXBMFYSA-N 483.640 5.805 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 552457465 RUNKMJRHXWUBJX-NDEPHWFRSA-N 481.552 5.373 30 20 JKED C=CCn1c(SCC(=O)NCc2nc(C(C)(C)C)cs2)nnc1-c1ccc(Cl)cc1Cl 591327653 ILKNOYNVIFSXFL-UHFFFAOYSA-N 496.489 5.600 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(I)cc2Cl)o1 603960524 LHRRZBLPVADJSC-UHFFFAOYSA-N 478.673 5.241 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(CC(=O)NC2CCCC2)CC1 604406670 UXTOBQLSJLXWEZ-UHFFFAOYSA-N 460.578 5.352 30 20 JKED CCOc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1Cl 604440599 HPKREIQWMBESNY-UHFFFAOYSA-N 465.962 5.593 30 20 JKED N#Cc1cccc(S(=O)(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)c1 608852703 ZMHJRRDUTQQRLH-UHFFFAOYSA-N 465.918 5.246 30 20 JKED Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 608995676 VILGHUZASSQJHH-UHFFFAOYSA-N 467.554 5.564 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cn3)cc2F)c1 609104354 VOCMBICUMNGYKG-UHFFFAOYSA-N 461.440 5.421 30 20 JKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609206898 XBYIQWUGVPPRNK-UHFFFAOYSA-N 454.530 5.194 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(C(F)(F)F)nc2ccccc12 609370641 JUIKYRDYZFRVKJ-CYBMUJFWSA-N 462.522 5.631 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1C 609370957 MTSLNJCLQZMECJ-INIZCTEOSA-N 469.661 6.024 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 609433715 DUJFSMYARIEKQA-UHFFFAOYSA-N 454.530 5.085 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 612503921 QHBRWOMYNVRCEA-UHFFFAOYSA-N 495.548 5.196 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)nnc1-c1ccco1 614011719 ANASRUSGYWVCDV-HXUWFJFHSA-N 450.608 5.477 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 614072939 JWQJAINFXKUUJG-SANMLTNESA-N 489.044 5.706 30 20 JKED Cc1cccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1NC(=O)c1ccccc1F 618521429 LFMKGLJKINJLAS-ZIAGYGMSSA-N 476.392 5.589 30 20 JKED N#C[C@@H](C(=O)c1cc2cc(Br)ccc2o1)c1nc(-c2c(F)cccc2F)cs1 620304500 GRXNTGOSZRHXPB-LBPRGKRZSA-N 459.271 6.087 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2c(F)cccc2F)cs1 620304571 OWWFGONUSMKWNC-CYBMUJFWSA-N 457.889 5.359 30 20 JKED COCCOCc1cc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1F 622485781 YBKSTQYHYFDHDK-KRWDZBQOSA-N 453.354 5.041 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1Cl 642044754 YEOPWWGGIXCMMJ-LBPRGKRZSA-N 483.371 5.686 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N([C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1=O 726393414 OLPPFGXIUQUJMG-CTNGQTDRSA-N 493.551 5.179 30 20 JKED CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2cccc(COc3ccccc3)c2)C1=O 726418519 DNFXHKKOLUPXTI-CWHVSTADSA-N 493.654 5.024 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@@H](C)c2cccs2)c1 726420614 IYSNARLBWVRHAL-JCPNLMEESA-N 479.627 5.347 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 726434810 SFQOMQLDMWGKHE-UHFFFAOYSA-N 491.425 5.783 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)c1 726443344 HDWGDWRJCRNMFG-UHFFFAOYSA-N 476.410 5.584 30 20 JKED CC(C)CC(=O)N[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 727632171 RXGSQTKBWDRYBW-KSFYIVLOSA-N 453.514 5.168 30 20 JKED C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(F)cc2Br)c1 728186412 YFSGNBNGNBBECE-UHFFFAOYSA-N 450.354 5.027 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 728766853 NOYWUOWWCHMNKN-NRFANRHFSA-N 450.281 5.619 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 728776756 UHDJGGAVGHDCHS-QHCPKHFHSA-N 456.571 5.494 30 20 JKED O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(F)c(Cl)cc1Cl 728972115 HQCUZRKZJVOEDV-OAHLLOKOSA-N 464.164 5.331 30 20 JKED CC(C)(C)C(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 729070943 VETDKKHBUYOZGG-CZUORRHYSA-N 464.418 5.578 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2n1CC#N 729323670 SWAGYJVIIXRWQN-UHFFFAOYSA-N 458.440 5.783 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)c1 729630794 AGTKCKOMFCLHPJ-JKAOCBFXSA-N 492.670 5.658 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(Cl)ccc(C)c2Cl)[n+]2ccc(C)cc2)c1 729670672 UBWOOMMKVUTNOY-UHFFFAOYSA-O 478.377 5.328 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CCC3)C2=O)cc1 730459494 JYHVFJKQJZFEMH-IBGZPJMESA-N 486.569 5.386 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(C)c2C)s1 730714388 XQCNJVLVQVKBJY-YLJYHZDGSA-N 479.631 5.185 30 20 JKED CCOc1ccc(OCC)c(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 730955217 UZKCLPDWSBBKKB-UHFFFAOYSA-N 469.554 6.317 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)sc2c1CCCCCC2 730964022 HZNCFIFJXGQJRU-UHFFFAOYSA-N 496.370 6.053 30 20 JKED Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C 731063645 LVUXOUGLTPZDAR-AWEZNQCLSA-N 487.647 5.539 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CCc1ccc(Cl)cc1Cl 731070529 NJEGJAVCDVXYBN-AWEZNQCLSA-N 451.375 5.360 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnc(-c2ccccc2F)s1 731075842 MHFUTTXEEWMROE-AWEZNQCLSA-N 455.536 5.139 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)s2)c1 731311308 AAADMUPBHFAYBO-NRFANRHFSA-N 483.590 5.370 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cc(Cl)c2c(c1)OCCCO2 744738725 ICUURLMCQJTUTM-UHFFFAOYSA-N 451.935 5.130 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN(CC)Cc2cccc(Br)c2)c1=S 746026493 JQKICSVUJRURMJ-UHFFFAOYSA-N 473.440 5.518 30 20 JKED N#CCN(Cn1nc(-c2ccc(F)cc2)n(-c2ccc(SC(F)F)cc2)c1=S)C1CC1 747789293 NUEXGEUPKGPPEE-UHFFFAOYSA-N 461.538 5.470 30 20 JKED C#CCNC(=O)C1CCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(C3CCCCC3)c2=S)CC1 747798360 OUSORYSKHPKZCD-UHFFFAOYSA-N 493.721 5.303 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 750306795 NDHNPDXFIQFLSH-QFIPXVFZSA-N 471.435 5.413 30 20 JKED Cc1sc2nc(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)nc(O)c2c1C 750398933 WTPIHWVPWSZONO-GFCCVEGCSA-N 476.505 5.451 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 750706181 RHDMLSSYXPDBNZ-SFHVURJKSA-N 470.529 5.369 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C4C(=O)Nc5c4cccc5C(F)(F)F)c23)cc1 767176502 YLPMFXLKMCDBGO-UHFFFAOYSA-N 469.448 5.154 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3ccc(N=Nc4ccccc4)cc3)nc(O)c2C#N)cc1 802831899 VCIGLTJQXCBZQK-UHFFFAOYSA-N 496.552 5.876 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 838095420 SXAMAXXBRPNUFD-HXOBKFHXSA-N 492.576 5.341 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3cnn(CCC#N)c3-c3ccccc3)n2)c1 904636294 VUBDAWXDBZIUCS-UHFFFAOYSA-N 456.506 5.528 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCC(C)C)c1 913120461 ILGPJAXRLXRESS-HSZRJFAPSA-N 480.634 5.268 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 914539569 FQTIFDGZMSTDOO-HXUWFJFHSA-N 494.444 5.058 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC)cc2)cc1 914772943 RGGRNMWCKNUJEE-XMMPIXPASA-N 489.597 5.002 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C1/S/C(=N/C2CCCC2)NC1=O 915857320 SZKAPUIOIVXWFL-RQZCQDPDSA-N 469.825 5.703 30 20 JKED COc1cc(/C=C\C(=O)c2cc3cccc(OC)c3o2)ccc1OCC(=O)Nc1ccccc1Cl 916130119 ILPMANAQIIMQOD-BENRWUELSA-N 491.927 6.017 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 916213267 CKHSSBKLOAGOPH-QFBILLFUSA-N 478.401 5.133 30 20 JKED CC(=NNc1ccc(C(F)(F)F)cn1)c1cc(Br)cc(Br)c1O 916617382 LKXWDBDBECFSAR-UHFFFAOYSA-N 453.056 5.167 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 916692394 CWXFJBJJIWHYKN-VVJBIOMHSA-N 497.020 5.064 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)N1CCCCC1 916708359 VUVKJCBNFIQPLC-RRPNLBNLSA-N 468.601 5.699 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 916949125 MEQIMWDQEZMCFX-IERDGZPVSA-N 464.953 5.574 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 916949497 OQSXRVBMRFQXCV-BCHFMIIMSA-N 451.526 5.612 30 20 JKED N#C[C@H](C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917042924 IGZGMNOQZRAQSB-ARFHVFGLSA-N 483.540 6.851 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cs1 917562314 DWPJCFJQUGPHES-CIAFOILYSA-N 462.600 5.645 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 917703457 MOLWHLICHXGTKL-HXOBKFHXSA-N 490.560 5.272 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2ccc(N3CCCCC3)cc2)c1 918579411 ZSGSRTYKUWURKC-UHFFFAOYSA-N 498.652 5.252 30 20 JKED Cc1sc(=O)n(CC(=O)OCc2ccc(-c3ccccc3C#N)cc2)c1-c1ccc(F)cc1 919175428 PLPWQSBIJNTIDL-UHFFFAOYSA-N 458.514 5.306 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2c(C)c(C)sc2n1 920140634 IVIGOEIFQJTXFX-QGZVFWFLSA-N 475.624 5.580 30 20 JKED Cc1cc(Br)ccc1SCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141049 LWSLPQWBQKZCQN-KRWDZBQOSA-N 468.401 5.721 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1 920205608 OJHFLSYZAMVXTE-DQEYMECFSA-N 485.996 5.901 30 20 JKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806154 HWYHHWAGRIDVOX-CMPLNLGQSA-N 453.297 6.039 30 20 JKED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1782359380 JNHKSUOWCZCSGD-GRKNLSHJSA-N 499.655 5.136 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)c1 1785884130 AZUJTTOELAYDRY-FQEVSTJZSA-N 462.553 5.176 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1ccc(C2(NC(=O)c3cc(C(F)F)no3)CCC2)cc1 1786042682 URDWTIRDJQOYQH-UHFFFAOYSA-N 469.875 5.065 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(Cl)n3)CCC2)cc1 1786678072 HVWJVKGLSOWVEV-UHFFFAOYSA-N 450.391 5.055 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)CCC2)cc1 1786678976 NZOACGSBPRVWFI-LFYBBSHMSA-N 475.614 5.243 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc4sccn4c3)cc2)CCC1 1788411912 LCIRXGRYYAEBAT-CMDGGOBGSA-N 475.595 5.249 30 20 JKED Cn1c(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)ccc1C(F)(F)F 1788846764 FQLPXDCRWWNGJO-UHFFFAOYSA-N 498.480 5.045 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4CCCN(C(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1789199156 PSYJAPRPMZNANV-OAQYLSRUSA-N 495.664 5.514 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Cl)cc4c3)CCC2)cc1 1789496484 YPKBXYZHDSGMFR-HSZRJFAPSA-N 477.992 5.209 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccc(F)cn45)CCC3)cc2)c1Cl 1790082491 CXVNAYGNWJWHOZ-UHFFFAOYSA-N 487.922 5.060 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)c(Cl)c4)CCC3)cc2)c1 1790147348 NTDGGGZXJJZBDK-UHFFFAOYSA-N 453.329 5.255 30 20 JKED CC(=O)c1ccc(OCCCC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)cc1 1790287028 WNXJIEIWJYERAK-UHFFFAOYSA-N 495.579 5.368 30 20 JKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)o1 1790746938 SECGKEMWYCQESA-UHFFFAOYSA-N 492.373 5.213 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cc(F)ccn4)CCC3)cc2)c(Cl)c1 1790764215 PRSIZATUHQRJJH-UHFFFAOYSA-N 476.939 5.126 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)CCC2)cc1 1791298751 URLLGVIXGYXAEN-ACRUOGEOSA-N 454.542 5.220 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc5c(c4)OCO5)CCC3)cc2)c1 1792122371 KUGCGBAAHJIRRG-LJQANCHMSA-N 481.552 5.033 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nccc5occc45)CCC3)cc2)c1 1792123650 NYUBQEAUWOXYIZ-SFHVURJKSA-N 464.525 5.516 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)[C@H]4CC[C@H](C(F)(F)F)CC4)cc3)CCC2)c1 1792242253 CWOGRCWLCZXMLF-SAABIXHNSA-N 458.484 5.003 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1 1800666268 ZKBZRPLFNAYNIV-KOUNCHBCSA-N 466.672 5.150 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/C(=O)c1cccs1)C2 1800788847 BRGBQOGCXRCNAB-CSLCPWPUSA-N 477.413 5.054 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)C1CCC(c2ccc(Cl)cc2)CC1 1803221558 JITAPDDYVKORTD-IAOIPLGRSA-N 490.047 5.128 30 20 JKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1803524102 PCYGMEHGNIPXBT-KOUNCHBCSA-N 484.518 5.553 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1804213471 OVWIJOCNWYHAOZ-GJZUVCINSA-N 498.067 5.592 30 20 JKED CC(C)=CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1807996950 IPFKWFSHFCLXCK-GBXCKJPGSA-N 484.522 5.038 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)/C=C/C(=O)c2cccs2)[C@@H]1c1cccnc1 1808422208 NIXYOUPVZTXWBE-PPKOGYNDSA-N 495.689 5.585 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1808876929 QHZOWIPSRUXEQO-UHSQPCAPSA-N 486.660 5.198 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809217647 RCNPLMFQQGVQRI-DCLXLUIPSA-N 494.060 6.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1809491996 VGMRORDNLRNFNI-ZNIUSCDDSA-N 471.601 5.539 30 20 JKED N#CCCC(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810400302 QNUJOMMJMMGTRE-UHFFFAOYSA-N 466.585 5.050 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2F)[C@H]1c1cccnc1)c1ccccc1 1810448823 YGODRCRZFQANRN-VBOOUTDYSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1810498932 QZIAEMPRLFGOOV-CYFREDJKSA-N 479.621 5.747 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1810501350 BKJFOLQIGWEFAD-JTSKRJEESA-N 492.422 5.840 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(OC(F)(F)F)c2)[C@@H]1c1cccnc1 1812050423 HOLFJZWZIVAKLX-WJPUGNRLSA-N 495.929 5.165 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)[C@H]1c1cccnc1 1812589578 ABYFKJHDHUEQHX-WXVUKLJWSA-N 498.465 5.499 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)Cc3ccccc3Cc3ccc(F)cc3)[C@H]2c2cccnc2)C1 1812929064 TVJNSNRHTMCDRK-FREGXXQWSA-N 497.614 5.026 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1813226430 OZCGQKYQQHKXOC-MBSDFSHPSA-N 491.941 5.267 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CCc3ccc(C)c4ccccc34)[C@H]2c2cccnc2)C1 1814300575 TUTTYOLWKCXWJC-FUFSCUOVSA-N 467.613 5.148 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)[nH]n1)c1ccc(Cl)cc1 1814938608 XGNXPTSKQYYUOP-GMAHTHKFSA-N 478.984 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)Sc2ccccc2)n[nH]1 1815093669 YOZAVYJKXUZYNL-SYYKKAFVSA-N 452.624 5.351 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(Cl)s3)n[nH]2)c1Cl 1815731051 LFXJMGACANXXMA-QGZVFWFLSA-N 488.400 5.198 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817764946 SVMTYFILJPMUIF-HSZRJFAPSA-N 473.552 5.110 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4c(C)snc4s3)n[nH]2)c1 1817831007 UINOHLAKKJBAMQ-IBGZPJMESA-N 490.614 5.189 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3csc(-c4ccccc4)n3)n[nH]2)cc1 1818362119 KIUIBGKQJHVGPW-JOCHJYFZSA-N 482.569 5.025 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1)c1ccccc1 1818644709 OKEACWXKTOAHJW-AHKZPQOWSA-N 491.595 5.461 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1)NC(=O)OC(C)(C)C 1818810510 VJGWOXZTRRXWAQ-TUNNFDKTSA-N 499.656 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)[nH]n1 1819553367 DLNGIRMUXZQXNK-QFIPXVFZSA-N 482.625 5.044 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccoc1C(F)(F)F)CC2 1819759198 XVWXIZWJSCGMQS-CQSZACIVSA-N 497.615 5.032 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(-c3ccccc3)s2)n[nH]1 1819932880 ZSSLXPNCUTWAFE-QGZVFWFLSA-N 471.533 5.051 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820096661 ZFZSOQKETHBKMM-IERDGZPVSA-N 473.602 5.691 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n[nH]2)c1 1820530287 PRMMKBBKEZVKHH-AOMKIAJQSA-N 495.505 5.675 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)cc1 1820905742 VARINODWGNNCLO-RQOTYCFOSA-N 459.594 5.043 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)[nH]n2)c1 1821272119 ZSSRLMYUSOCBRY-RUZDIDTESA-N 494.530 5.102 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2Br)n[nH]1 1821870847 YMDBJLIUCWINNE-LIRRHRJNSA-N 493.833 5.273 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C)CCCCC3)n[nH]2)cc1C#N 1822334299 LQSYLWIBWJVMNT-QFIPXVFZSA-N 477.609 5.345 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)ccc(F)c1F 1823215866 IHPUCEZMBKLWGK-NYHFZMIOSA-N 477.515 5.243 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823311766 PGTOMFOYKAYLEZ-CRAIPNDOSA-N 499.862 5.086 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCCCCCCCCC(=O)OC)CC2)C1 1823705024 LWSHCYQVYBZHSH-SANMLTNESA-N 488.713 5.646 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1823752918 REWYWHOGQLRSHG-HXUWFJFHSA-N 453.549 5.259 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 1824143411 MFRXQVYLBPKGLZ-IBGZPJMESA-N 469.573 5.164 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1824387939 RVVJGOXTJPXERB-FNZLVXQQSA-N 496.698 5.288 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2F)CC1)c1ccc(O)cc1 1824730037 YEHVIVRHYBJYFH-XUZZJYLKSA-N 482.621 5.023 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1824961148 JAJQLBGUTGUKNX-NRFANRHFSA-N 456.677 5.362 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2)CC1)c1ccccc1 1825483786 CXGKNMQOMVSSIC-SVBPBHIXSA-N 488.676 5.069 30 20 JKED C=CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)CC2 1826051802 JIIGKMJNBFFTPI-INIZCTEOSA-N 486.519 5.026 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1826685564 VPPQARMPFYLXSD-HSZRJFAPSA-N 455.558 5.123 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827265822 FPZWIYVMAXKXOS-JXFKEZNVSA-N 460.043 5.395 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827265823 FPZWIYVMAXKXOS-OXJNMPFZSA-N 460.043 5.395 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1827364374 CIPDTNKDRMJQLE-LVXARBLLSA-N 475.633 5.203 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc3ncccc23)CC1 1828821709 QGOWORJVHCLTIL-IGKIAQTJSA-N 459.634 5.165 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 1828906896 OMZXDMSOFSILSH-HMNRDNJPSA-N 470.774 5.484 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)CC1 1830351615 OSPHXZUQJHXYMQ-DEOSSOPVSA-N 493.648 5.163 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1830632302 GXSMSODPEMZOQD-XMMPIXPASA-N 483.534 5.319 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058891 HSHWKMDQTFNYLS-BVAGGSTKSA-N 478.658 5.774 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1831374431 PVCNOJSXEOHZDY-HTAPYJJXSA-N 461.528 5.023 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831377455 ZSLTULOIRGXABL-UUOWRZLLSA-N 454.014 5.334 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1831521128 PUDXCJSLPMKOEZ-LXFBAYGMSA-N 471.645 5.488 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831747103 PHCQEXYXPCXSFY-SANMLTNESA-N 486.722 5.221 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)c1 1831780222 PFDUAISHFOHXRE-RUZDIDTESA-N 493.051 5.285 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832634791 VZKWUUREJJIUEV-LXFBAYGMSA-N 471.645 5.488 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccsc3)CC2)cc1C#N 1832702907 OTSLBMQDHQPTFY-QLUGYHCRSA-N 491.657 5.354 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C)CCCC2)CC1)NC(=O)OC(C)(C)C 1832755519 YRMZDOAXKONZFX-PKTZIBPZSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)CC1 1838257004 IOGLTELFWMPMJQ-KRWDZBQOSA-N 475.054 5.379 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(N4CCCC4)c(F)c3)CC2)CC1 1838422679 FKNKIDHTUURZNA-UHFFFAOYSA-N 499.671 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(OC(F)F)cc3F)CC2)CC1 1838422736 KEOJJLHVXZEFEL-UHFFFAOYSA-N 496.570 5.032 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 8989166 JBGMJSXPBMMHNZ-SFHVURJKSA-N 480.037 5.470 30 20 JKED C=CCNc1nc(C(=O)O[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cs1 10136627 OHMJSAZDELBRLH-SFHVURJKSA-N 461.465 5.297 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 10174182 LQJSZPDURRGXPV-UHFFFAOYSA-O 471.524 5.721 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc3c(c2)CCCC3)c(C)n1C 10826821 YIIVUQOORCZQJD-UHFFFAOYSA-O 453.031 5.513 30 20 JKED CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccc(Cl)cc1Cl 11149729 DHCHZXNNDZFSTG-CQSZACIVSA-N 474.417 5.899 30 20 JKED COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1cccc(C#N)c1 13160320 WPCUJBALAVOSOB-UHFFFAOYSA-N 456.571 5.334 30 20 JKED C=CCN(C(=O)c1nn(CCCCC)c(=O)c2ccccc12)c1nc(-c2ccccc2)cs1 14723581 BBCHGWHAYRLGRF-UHFFFAOYSA-N 458.587 5.543 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(NCc3ccc(F)cc3)s2)sc2c1CCCCC2 16334947 DSVUFRYUXSAYRG-UHFFFAOYSA-N 473.624 5.222 30 20 JKED CCn1c(SCC(=O)c2ccc(C#N)cc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 19358826 YLZDWAARRIAGTC-UHFFFAOYSA-N 463.559 5.439 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nc2scc(-c3ccccc3)c2c1=O 20794335 FQRGLONFDUWVCA-UHFFFAOYSA-N 475.639 5.913 30 20 JKED C=CCn1c(C)nnc1SCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(OC)cc1 21237732 CGZLCOALPFJRLA-AREMUKBSSA-N 497.624 5.404 30 20 JKED CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)n2C)cc1 29493390 AUWZFPQKGHRTHH-UHFFFAOYSA-N 497.068 5.329 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(C)C)nnc1-c1ccc(Cl)cc1Cl 32285158 OKVACOAJXIEXEU-UHFFFAOYSA-N 477.417 5.956 30 20 JKED N#Cc1c(CCCNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nn(-c2ccccc2)c1N 33024015 OKQXCCZPOIMBIK-UHFFFAOYSA-N 489.501 5.375 30 20 JKED N/C(=N/OCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccnc1N1CCCCC1 109439902 COQDEPMQUBOEFW-UHFFFAOYSA-N 461.513 5.051 30 20 JKED CCC[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)C(=O)Nc1cccc(N2CCCC2)c1 110211385 NQSUHTFFYWEQHL-HHHXNRCGSA-N 466.585 5.363 30 20 JKED COc1cc(/C=C2/CCc3cc(O)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 207211963 CYNSJJDCOJJTEW-PDGQHHTCSA-N 463.917 5.284 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N[C@H](C)c1ccc(Cl)cc1 255930466 JEFDKIQHHNKEER-OAHLLOKOSA-N 477.417 5.319 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cs1 303069866 WWCGYKQIBFDVTP-KPKJPENVSA-N 481.940 5.405 30 20 JKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(C)c1OCc1cccnc1 490649180 MWZZWEJGUINHEL-UHFFFAOYSA-N 477.564 6.175 30 20 JKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc34)o2)cc1 494139018 UCWKJORBZLTDMB-NRFANRHFSA-N 479.565 5.030 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1Cl 503285070 RVXYOPQEOBWADN-AZGAKELHSA-N 452.945 6.302 30 20 JKED N#Cc1ccc(NC(=O)CCN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1Cl 507953697 ZXMDTVKBELQEBO-QGZVFWFLSA-N 470.360 5.123 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cc(C#N)ccc1OC(C)C 509594136 VAQDHBJMTYSBNK-UHFFFAOYSA-N 453.951 5.873 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(OC)c1 510244271 NGHLQHCWNOZXLJ-IBGZPJMESA-N 481.603 5.088 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2ccc3ccccc3c2)cc1 511362494 LBGAFNOPGAPQRV-UHFFFAOYSA-N 451.526 5.685 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 511701071 OLJDNKTXSPVRMJ-SFHVURJKSA-N 476.023 5.250 30 20 JKED Cn1c([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)nc2ccccc21 513653212 DWLDBPOGSRHNTP-GOSISDBHSA-N 462.918 5.776 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1-c1ccc(OC)cc1 514767362 PAFVICZQMUSGHX-UHFFFAOYSA-N 464.616 5.776 30 20 JKED COc1ccc(NC(=O)CSCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 515321980 WPJTZSGAEXYWBT-HNNXBMFYSA-N 471.648 5.090 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 515653206 HQGSPJUFNUWINA-UHFFFAOYSA-N 498.608 5.011 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 518683333 RHXNHNNVCGEAJB-LJQANCHMSA-N 488.613 5.658 30 20 JKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c3c(C)noc3n2)c(C)o1 518870018 NOTZYJJABBRRCF-MRXNPFEDSA-N 490.491 6.300 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCc2cccc(C(F)(F)F)c2)cc1Cl 518872892 GBNGNXQPYXBGHD-JOCHJYFZSA-N 499.920 5.702 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2Cl)cc1 519009804 VLYHYAUWXGCNAF-UHFFFAOYSA-N 463.896 5.273 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)c2)cc1 519196646 MJVIDFBECLURCA-UHFFFAOYSA-N 455.518 5.169 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 519878542 UUTPDFZAQDMFMJ-UHFFFAOYSA-N 466.566 5.297 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)cc1 520558014 YUDKVLUVXMLHID-OZXSUGGESA-N 473.529 5.019 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnn1-c1ccc(OC(F)F)cc1 521316449 NKZTXISGAZJYCA-UHFFFAOYSA-N 461.428 5.093 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 521725267 BFYWDULKYOTFIL-GOSISDBHSA-N 469.566 6.118 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)c(C)c1 521795780 WVVCLXKFCPARIH-FQEVSTJZSA-N 454.580 6.221 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cc2)c1 521808095 CISLTTWKVLAMAN-VWLOTQADSA-N 486.959 5.984 30 20 JKED CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 522521866 XTTUQHYZBVLYOB-LADGPHEKSA-N 475.976 5.600 30 20 JKED COc1ccc([C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1 523224861 AEFSHDHGMSEXMB-AREMUKBSSA-N 491.547 5.782 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 524392037 RITDQUDCVAOFAZ-SFHVURJKSA-N 459.571 5.523 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)cc2)c1 524412610 QOBZCEKLZACMNZ-QFIPXVFZSA-N 463.946 5.232 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(Cc3ccccc3)c3ccccc3C#N)cc2)cc1 584581543 DNAAWPCSISZCEM-UHFFFAOYSA-N 480.589 5.688 30 20 JKED N#Cc1ccc(N2CC[C@@H](Sc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)C2=O)cc1 589716140 RPVRUPPRYQTCKR-OAQYLSRUSA-N 475.961 5.009 30 20 JKED Cc1nc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)sc1-c1nc2ccccc2n1C(F)F 591545725 WRYUDXJNUZXVHM-ZDUSSCGKSA-N 453.474 5.141 30 20 JKED C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cc(OC)c(OC)c(OC)c2)CC3)CC1 595460256 VCNLDEPNMPLCOF-HKWRFOASSA-N 470.569 5.540 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 600845399 FJNIGJXPPHSICE-UHFFFAOYSA-N 487.915 5.796 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 601620251 MAXUSEZZUUNGIT-UHFFFAOYSA-N 453.007 5.622 30 20 JKED Cc1nc(COc2ccc(C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)cc2)no1 603532838 YIMALLHZOKBYKC-UHFFFAOYSA-N 456.477 5.123 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(CCc2ccccc2F)C2CCCC2)CC1 603618989 FWHPZLTUJIOUEE-UHFFFAOYSA-N 476.552 5.176 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 603754127 GRECOEKFOBTMSP-UHFFFAOYSA-N 475.574 5.484 30 20 JKED N#Cc1c(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)sc2c1CCCC2 603945851 ADBFSISEZQSQIX-GJZUVCINSA-N 469.610 5.617 30 20 JKED N#Cc1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)sc2c1-c1ccccc1CC2 603991958 IODHSYQPWXKPPZ-GOSISDBHSA-N 459.546 5.015 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604257503 GGAIRHCYTUVFSZ-HUUCEWRRSA-N 458.427 5.912 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1 604358314 WNWGVVJQBJTJLP-UHFFFAOYSA-N 453.376 5.777 30 20 JKED COc1ccccc1NC(=O)Nc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OC 608916207 PDLLBTCKALMURK-UHFFFAOYSA-N 487.560 5.662 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 609051517 CYEBBOKMCDNBAE-UHFFFAOYSA-N 482.515 5.415 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 609061929 KYGPICJDKCNJOM-UHFFFAOYSA-N 465.509 5.852 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc(F)ccc3I)c2)cc1 609176189 BCMVKYVBTRAJAM-UHFFFAOYSA-N 458.230 5.347 30 20 JKED Cc1sc2nc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)n(C(C)C)c(=O)c2c1C 609370956 MQXSYERQFPMBFR-CQSZACIVSA-N 486.688 5.638 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 609400038 FOSZLSSDIQNPJB-NWDGAFQWSA-N 454.354 5.200 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1 609408160 RZZMASHHHKUETD-UHFFFAOYSA-N 468.534 5.577 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nnn1-c1ccc(OC(C)C)cc1 609426744 ROKKLKZRRWCTHN-UHFFFAOYSA-N 489.523 5.640 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nc2ccccc2n1C(F)F 613403844 KHXCKOAAFRKRLM-GOSISDBHSA-N 479.918 6.029 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)no1 613403902 IEJDUKRTTGDODU-AWEZNQCLSA-N 458.421 5.076 30 20 JKED O=C(Cc1csc(-c2cc(Br)cs2)n1)NCC#Cc1cccc(C(F)(F)F)c1 614324181 RYDTWOHUBWECSE-UHFFFAOYSA-N 485.350 5.363 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1OC 620760711 NVUYBFIFCGQCSN-FPOVZHCZSA-N 450.348 5.172 30 20 JKED O=C(c1ccccc1Nc1ccc(OC(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 622379478 VYBZCDVQMBVAKL-UHFFFAOYSA-N 468.344 5.989 30 20 JKED O=C(c1cccnc1C(F)(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517268 FDSHRQTZXNJMNE-CQSZACIVSA-N 472.307 5.352 30 20 JKED C=CCN(C(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1nc(-c2ccccc2)cs1 641902247 OKPBBQRXEXQIHI-UHFFFAOYSA-N 459.571 5.756 30 20 JKED COc1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(OC)c1OC 642281607 UHUMVFRNRHDHKZ-WSFXZPRGSA-N 452.576 5.127 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1cc(Cl)ccc1Cl 644450397 LSEPXAQQPLPWON-UHFFFAOYSA-N 497.835 6.124 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2ccccc2Cl)cn1 726110438 GGKAVWJFVXIJAO-JOCHJYFZSA-N 496.036 5.068 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2c(F)cccc2F)n1 726320407 XLSOBZLYWFKBCY-LLVKDONJSA-N 461.877 5.020 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccsc2)c1 726398636 UWYFRQKRJBVIOS-QFIPXVFZSA-N 495.626 5.234 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CC1)c1cccs1 726419745 GRISQUVAPPVMIX-VYKRLMASSA-N 468.431 5.607 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2ccc(CCC)cc2)c1 726573540 JFTLBVTTZYDNKM-UHFFFAOYSA-O 468.429 6.538 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1Cl 726892323 SWMAEERPNVADTN-KSFYIVLOSA-N 495.004 5.465 30 20 JKED O=C(/C=C\c1cnc(N2CCOCC2)s1)c1ccc(-c2ccccc2Br)s1 727975258 VIRSAGVEWXFAEU-WAYWQWQTSA-N 461.406 5.367 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2F)c1 728186561 KEBDGKDUWRRHMK-UHFFFAOYSA-N 470.254 5.199 30 20 JKED N#CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 728853207 ZCWQMBTYPZBUMY-UHFFFAOYSA-N 482.005 5.159 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)cc1Cl 729318836 DMKWAAYBZZFRRI-QFIPXVFZSA-N 473.891 6.232 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1ccc2ccccc2c1 729669692 JFLWROFQRDTQKK-UHFFFAOYSA-O 459.547 5.120 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)n1 729895914 QZRDBEPKCBUPRO-SNVBAGLBSA-N 469.769 5.440 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(C3CCC3)C2=O)cc1 730460796 FWEXORBUKFGQKU-FQEVSTJZSA-N 455.967 5.055 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(Cc3cocn3)C2=O)cc1 730710562 NURIZUOXIDMEDS-IBGZPJMESA-N 489.384 5.450 30 20 JKED Cc1cccc2sc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c(Cl)c12 731071117 LPNWNFGZBUWZTF-CQSZACIVSA-N 458.992 6.053 30 20 JKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731073483 DUDLWUAVCWNUSE-KGLIPLIRSA-N 483.442 5.908 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 731076806 BFGCJURYVXGWOS-MRXNPFEDSA-N 482.964 6.336 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731307150 PRTFIDSRJITBNE-OPAMFIHVSA-N 481.549 5.106 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 731307188 FUXCWCVWMBXZCR-MBSDFSHPSA-N 474.586 5.126 30 20 JKED CS(=O)(=O)c1ccc(OCCCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 744938457 LMKVJCMTODMFTB-FBCSTPJJSA-N 498.670 5.050 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1oc(C(C)(C)C)nc1C#N 746497468 HHVKSPMPWRDCEL-UHFFFAOYSA-N 450.852 5.456 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2cnn(C(C)C)c2)cc1OC 746686749 LABTYQAMNKSPMQ-UITAMQMPSA-N 483.952 5.048 30 20 JKED COc1ccccc1-c1nc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cs1 746918019 MNJFZOLVDUFYQS-UHFFFAOYSA-N 478.574 5.019 30 20 JKED COc1cc(C(=O)/C=C\c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)ccc1S(C)(=O)=O 747061133 FOUZUMHUXXLCHZ-QPEQYQDCSA-N 490.556 5.295 30 20 JKED COc1ccc(OCc2nc(/C=C/C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)cs2)cc1 747614346 FSPNIKABLCBOGM-LFYBBSHMSA-N 466.950 5.169 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCc2cccc(C)c2)C1=O 749098862 IHPRGUVCDTVGDZ-VWLOTQADSA-N 498.608 5.078 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 749360996 DVWAZFSFHMIYEK-UHFFFAOYSA-N 490.592 5.162 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cccs3)C2=O)cc1 837387408 HFJNCWMYZPFRDB-QFIPXVFZSA-N 477.611 5.420 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1C 837403111 ATPHCYAKWDARPM-MBSDFSHPSA-N 476.577 5.559 30 20 JKED C[C@@H](OC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 875260519 XGBUBYXLWGPGBX-OAHLLOKOSA-N 493.610 5.386 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(NC(C)=O)c3)N(CCC(C)C)C2=O)cc1 913119410 NBWNZIJNTBMYDL-QHCPKHFHSA-N 496.633 5.050 30 20 JKED Cc1cccc2c(=O)n(CC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cnc12 915102866 JSAYXXCLNXVOMG-INIZCTEOSA-N 469.353 5.012 30 20 JKED N#C[C@H](C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 915103888 HMOCJMMPFHJMBL-GFCCVEGCSA-N 452.841 5.159 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC2CCC2)C1=O)Nc1ccccc1Br 915112094 VHJGHYCZLBGBRB-LJQANCHMSA-N 490.398 5.349 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)/C=C\c2ccc(I)o2)cc1 915180614 QCYDPNWAFZRVDM-NJBZPOFQSA-N 454.267 5.192 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 915580190 KIIFKHBNRUPMCI-UHFFFAOYSA-N 488.352 5.283 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(C[C@@H]2CCCO2)C1=O 916208060 SEPHBWKGIWDWLB-RDPSFJRHSA-N 495.645 5.232 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cccc(Cl)c1 916211280 BMPCFDZPERROKC-FQEVSTJZSA-N 475.998 5.118 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(C)cc1 916211512 DBEPZSVXAIJWMA-QHCPKHFHSA-N 461.587 5.145 30 20 JKED Cc1sc2ncn(N=Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)c2c1C 916310622 AAMGCUKFNLLLLG-UHFFFAOYSA-N 454.895 5.311 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1 916432437 UHDQTKHPNLBQCW-MUUNZHRXSA-N 473.580 5.621 30 20 JKED CC(=O)N(c1nc(C=NNc2cc(C)c3ccc(C)c(C)c3n2)cs1)c1ccc(F)cc1F 916543347 OENUULDWYQBKSY-UHFFFAOYSA-N 465.529 6.025 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3cnnc3SCc3ccc(Cl)cc3)s2)cc1 916546369 NOBSIJSHBOUHLR-UHFFFAOYSA-N 475.430 6.268 30 20 JKED C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916721941 CTHIGWWXNNXFDN-LYYOGKFUSA-N 477.030 5.158 30 20 JKED N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ccc(SC(F)F)cc1 916888494 XDDPBXOKPOVSKB-IBGZPJMESA-N 450.466 5.791 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 916904034 VJZPFMSBBLPWNV-GOSISDBHSA-N 494.598 5.597 30 20 JKED CC(C)(C)c1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc2)cc1 916910075 PVJNTJZMGLCKNB-QFIPXVFZSA-N 460.961 6.178 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 916910665 YELDSFFPORSYGG-HXUWFJFHSA-N 487.560 5.221 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1OC 916948358 UJQHAYVHRLYWJE-HNAYVOBHSA-N 487.394 5.721 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cc1 916953943 FKSLIMHIEQUJCB-JPYJTQIMSA-N 475.618 5.344 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc2cc(Cl)ccc2s1 917044725 VAFPPUMRQIQMDU-HNNXBMFYSA-N 464.900 5.456 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NC(C)(C)C)[n+]2ccc(C(C)(C)C)cc2)C=C1 917613276 IVVIFHDWZYEBGB-UHFFFAOYSA-O 454.660 5.277 30 20 JKED C=CCN(C(=O)c1ccc(Br)c(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 917637059 XGJYXUJURYZDSE-UHFFFAOYSA-N 485.403 5.107 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c1 917668440 YTQRQILQXOEXNY-DNVJHFABSA-N 497.064 5.236 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2Cl)cc1 917676335 QUXXVWKATHSOEU-JOCHJYFZSA-N 492.963 5.511 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CCN(CC3CC3)CC2)C1=O)Nc1ccccc1 917680597 JDUXRHMZFMQIMQ-QHCPKHFHSA-N 497.064 5.175 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(C3CCCC3)C2=O)cc1 917704185 GRAYALKIVZCSBK-QHCPKHFHSA-N 476.602 5.250 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OC2c3ccccc3-c3ccccc32)CC1 917943572 VZMQBHNQGZUQHP-UHFFFAOYSA-N 451.482 5.336 30 20 JKED N#Cc1c(COC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cn2ccccc12 919535834 WPPHYHJSFNPXMR-UFHPHHKVSA-N 463.537 5.034 30 20 JKED CN(c1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F)C1CCCCC1 919653404 WIUDJPTVYRWJRO-ZIAGYGMSSA-N 469.445 6.189 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Br)cc3Cl)n2)cc1 920139869 ZWTJSGWJTYCGFI-HNNXBMFYSA-N 477.767 5.490 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc(-c2c(F)cccc2F)cs1 920806825 QRTDQDRKPWWCAC-SFHVURJKSA-N 486.503 5.805 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C\C(=O)c2cnn(C)c2)c(Br)s1 920833158 BRPYLFPLKCCEJL-SREVYHEPSA-N 499.312 5.239 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@@H](C)COCC(F)(F)F)C2=O)cc1 921253473 PVCFVMDOBZIMHN-HNAYVOBHSA-N 497.514 5.062 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3)CCC2)c1 1785785398 PBCDXJWQZOLOSA-UHFFFAOYSA-N 492.535 5.283 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CCc3cnc4ccccc4c3)cc2)CCC1)C(F)(F)F 1786035054 RRDXRNBZZQYLQF-UHFFFAOYSA-N 467.491 5.420 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1786361951 CNZHRTSVJNAUCP-LJQANCHMSA-N 466.537 5.372 30 20 JKED CN(Cc1ccccc1)c1c(F)cc(C(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)cc1F 1787649110 QGNHFVYEGXTJPB-UHFFFAOYSA-N 488.538 5.263 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)nc1C 1788356537 UBXUEXMQXXYYID-UHFFFAOYSA-N 493.489 5.045 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(CCN4CCCC4)nc3)cc2)CCC1 1788687527 LFKLTWISICKALX-MHZLTWQESA-N 486.660 5.236 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)cc(C)n1 1788839874 PWVDQUSPZGVBLD-UHFFFAOYSA-N 456.521 5.025 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1789211690 IQRASIVHVKJEHQ-WWPVKYPJSA-N 483.653 5.416 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccc5scnc5c4)cc3)CCC2)c1 1789341356 ZQMARSNUGKCVLN-UHFFFAOYSA-N 470.529 5.369 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nccc-4c3Cl)CCC2)cc1 1789451312 GZDBSEGADOYZAJ-IBGZPJMESA-N 462.981 5.684 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1789579756 WVRZOSMAGSAAMY-AMVVHIIESA-N 487.453 5.304 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789991254 BUMJTTPSIIWXDW-UHFFFAOYSA-N 486.597 5.490 30 20 JKED CCCCCc1ncc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)ON=C(C)C)cc3)CCC2)s1 1790566740 CZYXWHUTUVZWFL-GOSISDBHSA-N 470.639 5.424 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Sc3cccs3)CCC2)cc1 1790567481 MOZOOSYCTABOQH-DLBZAZTESA-N 459.637 5.164 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5c(F)cccc5n4)CCC3)cc2)c(Cl)c1 1790767936 UZDPMBXELKDFDX-UHFFFAOYSA-N 487.922 5.060 30 20 JKED CO[C@](C)(C(=O)NC1(c2ccc(NC(=O)[C@@H](C)S)cc2)CCC1)c1cccc2ccccc12 1791571782 QULPNQDBUNJDJR-DWXRJYCRSA-N 462.615 5.154 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)CCC2)cc1 1791728923 RSTVJMNCCOOURC-UHFFFAOYSA-N 492.620 5.313 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)nc(Cl)c4)CCC3)cc2)c1 1792123267 QMJLNIBMUKWICN-MRXNPFEDSA-N 474.948 5.129 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)CCC2)cc1 1792264118 AUAHTTQDTILVER-UHFFFAOYSA-N 459.496 5.188 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792373287 OIMJNKMCTVYCOE-UHFFFAOYSA-N 487.616 5.072 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)Sc1ccccc1)c1ccccc1 1793438172 MBTVRLTVHTWQBL-DNMDETFRSA-N 460.643 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cc(Br)ccc3c1)C2 1798334721 HWJYWPMYGHQEGF-UEQSERJNSA-N 481.434 5.623 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)[C@H]1c1cccnc1 1802493226 UNFQRGXQNCJCFF-UWJYYQICSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1802498069 LMZSDMOQZOBXAG-YKSBVNFPSA-N 479.024 5.528 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCc2cnc3ccccc3c2)[C@@H]1c1cccnc1 1802941516 COPDNJUWNFAQTK-WNJJXGMVSA-N 482.628 5.037 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)[C@H]1c1cccnc1 1803088826 HQEBOUXNFXZWOP-IAPPQJPRSA-N 459.634 5.105 30 20 JKED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1804189731 NBUWGIPKTCJXJR-WKCHPHFGSA-N 470.491 5.163 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccccc4Cl)C3)CC2)c1 1809227724 HASNFLKQDVPUED-FQEVSTJZSA-N 464.009 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1810175695 XSGVBRHEBVUMHC-NJNPRVFISA-N 488.415 5.182 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1)c1ccccc1 1810443707 KSEYRKNLEPCAJT-STXQHDJLSA-N 486.015 5.252 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2F)[C@H]1c1cccnc1)c1ccccc1 1810444875 VRAZLLCJPXVFJU-QQNWGBJXSA-N 483.587 5.046 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1C 1811872310 TWTGIMZXKFHEIL-BDYUSTAISA-N 475.709 5.069 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1)C(F)(F)F 1812683516 POAOVVBWGLIVMP-NQIIRXRSSA-N 473.520 5.043 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)Cc3ccc(CCCCC)cc3)[C@H]2c2cccnc2)C1 1812957629 XYGZQIGSDPHZBB-LBNVMWSVSA-N 459.634 5.029 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(Cl)c2)[C@@H]1c1cccnc1 1813859865 YOGLDLYZWVTYPL-GCJKJVERSA-N 457.977 5.186 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1813976629 RUCBRPZZSGLICA-FDDCHVKYSA-N 491.941 5.267 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813976633 RUCBRPZZSGLICA-MBSDFSHPSA-N 491.941 5.267 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cc4cccc(F)c4)cc3)[C@H]2c2cccnc2)C1 1813992935 RZEBQPURJPPGES-LBNVMWSVSA-N 483.587 5.097 30 20 JKED Cc1c(F)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1814607429 CKHMMIYRUWSDLW-HXUWFJFHSA-N 465.916 5.002 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 1814743267 HYJYQGYJAYBCHY-QHCPKHFHSA-N 489.938 5.041 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1815215135 FXAIOWXURILBJF-IERDGZPVSA-N 496.995 5.122 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c[nH]1 1816111263 VEYYRMKTIARLJE-LJQANCHMSA-N 478.984 5.180 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)s2)n[nH]1 1816399886 XNSUDGBZFSKKLC-KRWDZBQOSA-N 477.106 5.482 30 20 JKED CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccccc1 1816736010 WJUKATCZFXFQOG-HJLKFOAISA-N 476.602 5.096 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1)C(F)(F)F 1817745330 CXLYQWKMZMWPHR-HXUWFJFHSA-N 483.494 5.205 30 20 JKED CC(C)(C)c1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)COc3ccccc3C#N)[nH]n2)s1 1818343608 DJWWUMPIZWOTOT-LJQANCHMSA-N 491.617 5.025 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc[nH]c3c2)n[nH]1)c1ccc(O)cc1 1818488564 ABSFIKMSYWQRRF-LVXARBLLSA-N 495.583 5.100 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)[nH]n1 1819307363 SPJLHZMEVFBDBF-DVECYGJZSA-N 497.603 5.127 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1819309401 UIZNVADDLJEFRP-AZUAARDMSA-N 493.589 5.607 30 20 JKED COc1ccc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819386963 REJOGUGTFGNDQR-QHCPKHFHSA-N 480.685 5.084 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1820973419 IZBJPAXNDLZYJC-LPHOPBHVSA-N 467.595 5.040 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)[nH]n2)c1 1821271971 RUOXSEGKHZKEJC-XMMPIXPASA-N 494.530 5.102 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821611168 IGDKNVORBMHCPP-VGOFRKELSA-N 487.560 5.416 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)[nH]n2)c1 1823216770 BARYVPPXAKBKDT-VOIUYBSRSA-N 484.535 5.277 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823217098 PSCVQXHQNCTZOH-NTKDMRAZSA-N 485.588 5.282 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(F)cc1C(F)(F)F 1823295747 AZHLLIMKEXQGIC-MRXNPFEDSA-N 494.411 5.606 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1)NC(=O)OC(C)(C)C 1823347253 XXFJYUANLXPDRQ-BKCZMFJTSA-N 499.656 5.008 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1823423837 PHDGIGYULWZYPJ-XMMPIXPASA-N 465.557 5.049 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(Br)c3C)CC2)C1 1823701203 CECUJWPYTHNSFH-QFIPXVFZSA-N 477.418 5.096 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1)c1ccccc1 1823806705 AXOPFPPTHREFHD-PXJZQJOASA-N 471.645 5.160 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3cccc(Cl)c3)CC2)c1 1823983494 JLQNINFVBWWYPC-FQRUVTKNSA-N 494.035 5.279 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)ccn1 1825429996 HRLZZWGSYHAMAF-AREMUKBSSA-N 486.660 5.117 30 20 JKED C=CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc3c(c1)c1ccccc1n3CC)CC2 1826056321 OSXOEBSNSUUOFI-KRWDZBQOSA-N 458.587 5.073 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828602177 VMPNCXVUSKRGKM-SIKLNZKXSA-N 462.656 5.228 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2OC)CC1 1828831447 UWPNJQWUVWCHMH-BJKOFHAPSA-N 473.057 5.279 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3ccoc3C2)CC1 1828904484 YGZPDANXRLOTHI-JWQCQUIFSA-N 482.741 5.055 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)s1 1829687509 ARGZSOQDYWKBMC-FQEVSTJZSA-N 456.011 5.129 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701164 LRUCQBINVYLFCY-XUZZJYLKSA-N 469.025 6.088 30 20 JKED CCCCCc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)CC2)c1 1829776165 XJYNDSZCCPUFHC-HHHXNRCGSA-N 474.649 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1830130632 PIWGMQNAPZPNTK-DHIUTWEWSA-N 474.686 5.133 30 20 JKED CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755985 PZRHGHUTGDSIKN-QHCPKHFHSA-N 475.555 5.557 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c(C)cc2OC)CC1 1830784840 CNSNSAKNYYQPQY-ZCYQVOJMSA-N 452.639 5.314 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cc(Br)ccc3c2)CC1 1830930547 GCDVJOYFYHEKQZ-XMMPIXPASA-N 496.449 5.034 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1)C(F)(F)F 1831060398 OIWVFGGBVDQPNF-QFIPXVFZSA-N 484.518 5.938 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1831377763 LOIJWUDQMSWCMR-NHTMILBNSA-N 491.717 5.100 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)cc1 1831750354 AASRZIXWNSKDRM-KAUHDDEISA-N 491.676 5.294 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831846441 RTIYKCCJHQATCD-AVRDEDQJSA-N 463.087 5.090 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc43)CC2)cc1C#N 1831979776 CTIDAJQOSXMPRS-VSGBNLITSA-N 499.655 5.309 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 1832028515 QPLAPGXARUPFPC-DEOSSOPVSA-N 499.493 5.294 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1832028604 RTTAPYYNGDMIJI-DSNGMDLFSA-N 455.042 5.257 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1)c1ccccn1 1832330419 WVNUBOYNKRWDEF-HOYKHHGWSA-N 498.549 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)n3)CC2)c1 1832633506 IKFDNWITXJEPHR-JPYJTQIMSA-N 498.549 5.275 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc(F)c3F)CC2)c1 1832634712 UGKZHSYFUILQGF-DFBJGRDBSA-N 479.571 5.068 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)CC2)c1Cl 1832639025 GKFGMGZNGNXYOW-OAQYLSRUSA-N 489.925 5.176 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1836697101 OOISBCHHGWHNFF-UHFFFAOYSA-N 485.024 5.467 30 20 JKED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)CCCCCC(C)(C)C)C1 1846087156 YMEFAEFEGWLTLM-XMMPIXPASA-N 497.680 5.058 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2cc(F)ccc2C(F)(F)F)C1 1846889949 AWCGDSHCGFTINX-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCNc1nc(C(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cs1 10136631 OHMJSAZDELBRLH-GOSISDBHSA-N 461.465 5.297 30 20 JKED C=CCn1c(SCC(=O)N2CCC(C)CC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10438352 PMAJWMXTYSDZRF-UHFFFAOYSA-N 471.623 5.109 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082884 HOMMCCVWVLBKRK-UHFFFAOYSA-O 462.397 6.342 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)n(C2CCCC2)c1C 12271528 MCNXBOYALJKLES-UHFFFAOYSA-N 496.514 5.139 30 20 JKED N#Cc1ncn(-c2nc(CSc3ccc(Br)cc3)nc3sc4c(c23)CCCC4)n1 14272100 VMTJRUYBHHLQMN-UHFFFAOYSA-N 483.420 5.077 30 20 JKED COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SC[C@H](C#N)CCC#N)c1 15238167 YUOMKBYINDEIRY-PGLVWIQMSA-N 458.587 5.739 30 20 JKED C[C@@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)C(=O)N(CCC#N)c1ccccc1 21683883 QONFDFPXKYPNQI-QGZVFWFLSA-N 474.611 5.089 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1ccc(OC)cc1 22201736 YKBMHEJHWHHJIN-UHFFFAOYSA-N 484.379 5.245 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 23604172 ILJZAFBUOXNOAY-QFIPXVFZSA-N 496.640 5.433 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 25438357 KZMFZYUGIYBBLK-UHFFFAOYSA-N 494.016 5.775 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 27128804 VGRRRIAZXKFTDH-KOSHJBKYSA-N 486.597 5.099 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2sc3c(c2c1=O)CCC3 28381421 OMNYWQLSAVOSQT-UHFFFAOYSA-N 466.415 5.170 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3sc(-c4ccc(C)o4)nc3C)nc2C)n[nH]c1=S 31275710 PMGZTTUSCPNRBT-UHFFFAOYSA-N 458.594 5.144 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3Cl)n2)nnc1C1CC1 36241387 VYBLXMLYWFJBTC-UHFFFAOYSA-N 474.055 6.045 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ncccc3OCCCC#N)c3cnn(C(C)C)c3n2)c(C)o1 72087490 VYMQKVQJVOZDHB-UHFFFAOYSA-N 458.522 5.219 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 105672371 XYVYBJKRBSQCAD-UHFFFAOYSA-N 465.937 5.487 30 20 JKED O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 495581210 WNNXCZJBPPLUGU-UHFFFAOYSA-N 467.291 6.181 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 501151325 WSCWDEFJKNKQJB-UHFFFAOYSA-N 474.923 5.875 30 20 JKED N#CCCCCNCc1cc(Br)c(OCc2ccccc2)c(Br)c1 504170347 UANSNHAWAVXMLZ-UHFFFAOYSA-N 452.190 5.574 30 20 JKED Cc1nc(NC(=O)c2cccc(OCc3ccccc3Br)c2)sc1SCC#N 504770534 MZCQQTHHNGCFIO-UHFFFAOYSA-N 474.405 5.661 30 20 JKED Cc1nnc(Sc2ccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)c(C)c2)s1 505883650 SLMCGDHSPCZWKX-UHFFFAOYSA-N 455.634 5.229 30 20 JKED C=CCN(C(=O)c1c(C)oc2ncn(C)c(=O)c12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 506772471 AOURRERIILVFMJ-UHFFFAOYSA-N 482.565 5.458 30 20 JKED C=CCN(C(=O)CCc1nnc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 506858340 ATNOUYUHLIQDFI-UHFFFAOYSA-N 485.396 6.319 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 510613418 GMVQLNCKFXLZRH-SFHVURJKSA-N 454.530 5.890 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 511321658 PZVQMWHVVXAPOY-VWLOTQADSA-N 469.541 5.472 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cccc(COCc4ccccc4)c3)c2)c1 511494739 CCRULSIGFLZMMV-UHFFFAOYSA-N 490.563 5.849 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 511505503 NAJZKQBZITUAJF-GOSISDBHSA-N 469.545 5.117 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)nc2ccccc21 513676667 IUQTZUHYSZHUCL-LJQANCHMSA-N 463.324 5.622 30 20 JKED CCN(C(=O)c1cccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c1)[C@H](C)c1ccc(C#N)cc1 514574846 AXTWMNHDAFNPMI-FGZHOGPDSA-N 478.596 5.877 30 20 JKED C=CCN(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1cccc(C(F)(F)F)c1 517984135 NTACLCONBRBZBF-UHFFFAOYSA-N 492.306 5.439 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N3CCCN(c4ccccc4C#N)CC3)s2)cc1 518636327 KPAZKCSNSNJCIP-HXUWFJFHSA-N 459.619 5.282 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 518766921 MYEUNQBFBXOYHJ-INIZCTEOSA-N 481.524 5.381 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2)cc1 519053407 FJELVEHAXQUPAW-UHFFFAOYSA-N 494.473 5.359 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 519926831 JLIJPTGHSCYQIC-UHFFFAOYSA-N 458.537 5.317 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 520153250 XAFBYJRIVSUKCP-UHFFFAOYSA-N 451.979 5.824 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 520905147 VOTMZRNYPZSIHM-UHFFFAOYSA-N 462.363 5.255 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)c1 521119970 BQOSPVLBGJXUOZ-XMMPIXPASA-N 461.949 5.061 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccccc3S[C@H](C)CC#N)nc(O)c2c1C 521330582 SXRIXHRNGPUFGP-IUODEOHRSA-N 472.661 5.668 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 521719631 IKNXRMGWCHTOTI-INIZCTEOSA-N 460.584 5.015 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 524391021 QXICVDSPQVXIHP-UHFFFAOYSA-N 466.516 5.512 30 20 JKED COCCc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc2)cc1 524565298 OJPZICLVIFYXNR-UHFFFAOYSA-N 474.536 5.033 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc3C#N)nc(O)c2c1C 565321535 UNNBSNAJLKWRHH-SFHVURJKSA-N 488.638 5.741 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c(C)c2c1 590460665 VJIKWVHEPSOJIY-UHFFFAOYSA-N 470.500 6.105 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1 591616257 VAIGZLOLAPMXBQ-MRXNPFEDSA-N 463.584 5.400 30 20 JKED CC(C)CN(C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1ccc(C#N)cc1 603568052 FWOPIOUICUGPMI-UHFFFAOYSA-N 476.540 5.309 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 603756068 HXVNLDIMHZYUDT-UHFFFAOYSA-N 474.318 5.255 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003822 YHKISTRKHAITAW-UHFFFAOYSA-N 453.567 5.940 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1[N+](=O)[O-] 604090328 UIRPGXPOITXBAO-UHFFFAOYSA-N 452.854 5.242 30 20 JKED CCCCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604160765 VOODECHCBUEFQA-UHFFFAOYSA-N 460.509 5.042 30 20 JKED CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604193326 GUEUURQIQDNOQW-DEOSSOPVSA-N 472.932 5.171 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 608785287 NLFUCZKSIFRTIP-UHFFFAOYSA-N 470.504 6.241 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 608792690 WJSDNTAVMYROLX-UHFFFAOYSA-N 479.939 5.424 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 609062071 VGCSHKALTHNWND-QHCPKHFHSA-N 487.987 5.590 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 609078731 KWMDRZNFMJJIEE-QHCPKHFHSA-N 461.587 5.720 30 20 JKED CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609403734 UYNJEXPUYMUWRX-UHFFFAOYSA-N 485.531 5.852 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609430058 IFRCCFLDDLTCJV-HSZRJFAPSA-N 460.405 5.049 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1 613344585 KAGOEJLEHSPSGW-HNNXBMFYSA-N 489.409 6.226 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 620624875 BQAYLLLYXBKXTE-QGZVFWFLSA-N 495.004 5.089 30 20 JKED O=C(CSc1ccc(C(F)(F)F)cn1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642157126 IOHJSNQEDTUHIV-NXEZZACHSA-N 454.358 5.218 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(CCC)C2CCN(C(=O)c3ccccc3)CC2)c1=S 725786801 JXUNQMTWTBETRT-UHFFFAOYSA-N 493.652 5.380 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC[C@H](C)OC)cc1 726393645 QCVIXVSOLVROHL-UUOWRZLLSA-N 491.613 5.234 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C#N)c(Cl)c2)c(C)s1 726408761 IAPAWTHPXNOEOV-ZUOKHONESA-N 487.050 5.251 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c4c(c3)OCCO4)SC2=S)cc1Cl 726627904 VTVTUDGOKAIWLY-APSNUPSMSA-N 493.791 5.151 30 20 JKED CC(=NNc1ncnc2c1c(Br)nn2C)c1ccc(-c2ccccc2Cl)s1 726738865 IYIPFIREHWPOPZ-UHFFFAOYSA-N 461.776 5.344 30 20 JKED COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SC[C@H](C#N)CCC#N)c1 726786514 YUOMKBYINDEIRY-CFKHXJFWSA-N 458.587 5.739 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C)c1C 727252946 UTXULMOALLEULM-HSZRJFAPSA-N 493.608 5.128 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 727947351 DKFDYMCAXCTCJZ-UHFFFAOYSA-N 469.588 5.021 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(I)c2)cc1 728147562 IXEQKNHOJYGFMD-SCLBCKFNSA-N 460.315 5.074 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccccc3SC(F)F)cc2F)c1 728200400 BQRCFXAFHCDTAI-UHFFFAOYSA-N 457.477 5.642 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2)s1 728424153 VFPMLIFTCBEBTN-NRFANRHFSA-N 460.584 5.089 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(Cl)c3)C2=O)cc1 728425917 QVWSQDHOLIQWIZ-QHCPKHFHSA-N 499.983 5.244 30 20 JKED COc1cc(/C=C2/CCOc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 728441060 CNYMUAMITANNIR-JXAWBTAJSA-N 463.917 5.415 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](c1ccccc1)c1cccc(Br)c1 729113506 LLNHCVXNTZVPGU-XMMPIXPASA-N 489.373 5.246 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)cc1 729887730 BIRRCAODVAJJJY-FCHUYYIVSA-N 475.614 6.341 30 20 JKED Cc1sc2ncn(N=CC3=C(N4CCOCC4)/C(=C/c4ccc(Cl)cc4)CC3)c(=O)c2c1C 730548753 LLPXMFWHONKCGP-VEISABSJSA-N 481.021 5.026 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)c1 730713703 POUAUKZIWFBHMY-QFIPXVFZSA-N 462.575 5.069 30 20 JKED COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccccc1SC[C@@H](C)C#N 730997715 RFIXZOZFTMMKJK-NSHDSACASA-N 475.817 5.164 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnc(-c2ccccc2Cl)s1 731077424 HUEXCEWTWZRXTA-AWEZNQCLSA-N 471.991 5.653 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)NC1(C#N)CCCCC1 744597622 XVCQVDYXKDRIJW-LBPRGKRZSA-N 452.363 5.005 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 745277336 NRCRMXWFPIVMHM-UHFFFAOYSA-N 450.583 5.259 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1OCCCC#N 747356666 GECQGFJNUNGESG-UHFFFAOYSA-N 492.388 5.026 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 750690584 MYINNWLKYGUAAE-IBVKSMDESA-N 467.573 5.091 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1C 752929268 OUJHOVUICFZGDS-UHFFFAOYSA-N 467.978 5.113 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(F)c(Cl)c1 799214810 OILXSXOFQXEGRH-INIZCTEOSA-N 484.778 5.222 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccccc2OCc2ccccn2)c1 819840911 KWPCSNSSCNFVBU-UHFFFAOYSA-N 473.602 5.434 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837916846 QYOVGWYTDHHSLK-UZUQRXQVSA-N 476.577 5.505 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n(C2CCCC2)c1C 900680226 CEFYBKMUCWGXGN-UHFFFAOYSA-N 487.531 5.257 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 914547465 YBVTWMHGWWKOLK-YKSBVNFPSA-N 472.614 5.098 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1C 916205275 NRDIRWODNRGNIE-LJQANCHMSA-N 461.509 5.469 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccco2)cc1 916215041 RPKOVYWCHPBKHM-QFIPXVFZSA-N 463.559 5.147 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2cccc(C(F)(F)F)c2)nc1 916354094 GAGUNVZHXPITEY-UHFFFAOYSA-N 462.497 5.152 30 20 JKED CCCOc1c(Cl)cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OC 916544269 FNBMPHFHOJODEZ-UHFFFAOYSA-N 467.978 5.766 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916884751 ZZYGFTYXLJLXTO-GOSISDBHSA-N 471.554 5.632 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)n2)cc1 916975328 XQNLSZRARVUARE-FPOVZHCZSA-N 484.408 5.906 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916976533 RJTZIJDDHZRQSE-IBGZPJMESA-N 481.002 5.626 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 917042484 CGJVJWIHFWNIDB-CQSZACIVSA-N 490.488 5.344 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 920016518 CTAYKQOXVDKRRC-UHFFFAOYSA-N 451.482 5.196 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920017123 JJWRYIMWBWTTBM-LBPRGKRZSA-N 463.342 5.756 30 20 JKED CC(=O)N(c1nc(/C=C2\COc3ccc(C(C)C)cc3C2=O)cs1)c1ccc(F)cc1F 920068173 KRJSWMFAFYIELM-LZYBPNLTSA-N 454.498 5.888 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 920106538 RLDSUHAVSNPMOI-GFCCVEGCSA-N 487.031 5.533 30 20 JKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920108165 PKSPTAIZQNVRPX-LJQANCHMSA-N 467.294 5.019 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)Cc1csc(-c2ccccc2Cl)n1 926219453 BFQCYCCXYSWOKF-HNNXBMFYSA-N 461.008 5.214 30 20 JKED Cc1nc2ccncc2cc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789249007 PGLNREJTJLJOKE-IBGZPJMESA-N 489.579 5.627 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)CCC2)cc1 1789625407 BZBIJSYJGADKGF-MNNSJKJDSA-N 471.601 5.023 30 20 JKED COc1ccc(C2(C(=O)NC3(c4ccc(NC(=O)[C@@H](C)ON=C(C)C)cc4)CCC3)CCC2)cc1 1790566045 NRURMMMURRFUDQ-HXUWFJFHSA-N 477.605 5.052 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4F)CCC3)cc2)cc(C(F)(F)F)c1 1790785187 UMFYHUJTWVTITK-UHFFFAOYSA-N 482.437 5.173 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)c1 1790795000 MDDKSULPJFFYME-UHFFFAOYSA-N 478.474 5.342 30 20 JKED Cc1cc(C)c(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)c1 1790816556 ICANVSZPJQRDJC-UHFFFAOYSA-N 476.577 5.312 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5Cl)CCC4)cc3)c2c1 1790836064 LWBJWHGDHFLPCR-UHFFFAOYSA-N 494.942 5.021 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccc(Cl)cc5c4)cc3)CCC2)CCC1 1790870434 NHRWOAZTMBUCJD-UHFFFAOYSA-N 458.949 5.330 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)CN4)CCC2)cc1 1791246997 HANPEHOJQCQODT-RXFWQSSRSA-N 487.644 5.582 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C)nc3)CCC2)cc1)c1ccc(O)cc1 1791646416 NBOSKKOFKOJAQX-RUZDIDTESA-N 495.623 5.360 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792283031 BHNCTYSQYQLZNB-HRFSGMKKSA-N 483.653 5.370 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792338471 UEDPNIDMPTXPAD-NYVOZVTQSA-N 469.626 5.026 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792393956 WIVMWOVYCWURQO-LEWJYISDSA-N 483.653 5.370 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(C(F)(F)F)CC1 1793925943 OUIXQGRICYCTBK-ZHLPAPNQSA-N 470.652 5.044 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(-c2ccccc2)n1 1797178121 NFHBMROAEYNKIU-KOUNCHBCSA-N 479.722 5.113 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)ccc2s1 1798080187 FJFCRXMTDRVZPH-RUGDWHBFSA-N 461.425 5.128 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2cccc(Cl)c12)c1ccccc1 1798244367 JGZXKMCVPTZBCF-CIAFKFPVSA-N 474.004 5.270 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1c[nH]c3ccc(F)cc13)C2)c1ccccc1 1798556522 RPJRPOJDQFKJGY-QYOOZWMWSA-N 485.603 5.075 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C 1800834086 WUENMRNDWRTXJM-LRSLUSHPSA-N 481.637 5.362 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C)C2 1802631280 QQIVBPGJYWSMNH-KOUNCHBCSA-N 481.637 5.096 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1802720136 SZCDADBHDMPGNP-ISKFKSNPSA-N 451.998 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1802729832 KMFFPBHEHDLFAZ-GMAHTHKFSA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802830407 MHHPDQXUOXIXQG-KWOQKUFVSA-N 468.041 5.537 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1806449487 DMAZAGBASBZNGF-RGVCCXDYSA-N 480.612 5.103 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1807838001 FLRLHZBJUPNAAD-LITSAYRRSA-N 494.639 5.540 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1808876161 JIBZNAMGSPDFOK-GGXMVOPNSA-N 486.660 5.198 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1809549660 RXYJCXGOSBZVDI-WJNCPCKPSA-N 480.052 5.537 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@H]1c1cccnc1 1810173045 OERHTTLJRJFKKW-NNKCCBOLSA-N 473.661 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccoc2C(F)(F)F)[C@@H]1c1cccnc1 1810500018 KTYRLGFPYJKLIM-PKOBYXMFSA-N 463.500 5.005 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c1Cl 1811111740 CIXWKKFIZFBTEX-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1811161374 QUMSJZSPLWLROO-SKVJQKLOSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1811252707 ASVOHRJSUDYCTL-HOKHCIIBSA-N 482.024 5.222 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4ccccc4)n4ccccc34)[C@H]2c2cccnc2)C1 1811266874 OZWDSNCJFXYGSL-PWUYWRBVSA-N 490.607 5.287 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811788194 JUNXKONBHHZDOU-GWJPWWOOSA-N 490.406 5.616 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CC3CCC(C)(C)CC3)[C@@H]2c2cccnc2)c1 1811939124 FFIZNBONKAPTLN-SHQCIBLASA-N 472.633 5.188 30 20 JKED Cc1ccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4)[C@@H]3c3cccnc3)sc2c1 1812221759 VMYJGZAPIMETMW-ZEQKJWHPSA-N 480.593 5.110 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1812590431 JTIFGZWBUJJSNI-HTZUNMPGSA-N 464.368 5.059 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1812787498 NJBBHAHNXMOQAD-HLFHMTEMSA-N 493.051 5.533 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1815214932 ZINBIXVWCHPXGC-KSSFIOAISA-N 472.998 5.175 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ncccc4c3)n[nH]2)c1 1815478013 SHDJBCBPTVCPQN-SIBVEZHUSA-N 492.583 5.134 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(Cl)s3)n[nH]2)c1 1815732560 VMBRQHXOOAQQLN-MGPUTAFESA-N 482.009 5.300 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3nccc-3c2Cl)n[nH]1 1817917484 OJOMRUFRWWVWOX-SFHVURJKSA-N 468.989 5.189 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc(C)oc2C(F)(F)F)n[nH]1 1818080311 PEDBXNZEPHWOQX-HNNXBMFYSA-N 467.492 5.023 30 20 JKED Cc1cc2cccc(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)c2[nH]1 1818366329 STASTTIZINDWTB-YWZLYKJASA-N 483.597 5.100 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4sc(C)nc4c3)n[nH]2)c1 1818702229 WTICORIHWHPLRP-QFIPXVFZSA-N 484.585 5.128 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1818797583 GSDMAICMRRXFQF-XMMPIXPASA-N 487.629 5.007 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(Br)ccc4s3)n[nH]2)C1 1819075167 QFFWYCHNFSAKHP-SFHVURJKSA-N 499.434 5.659 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)[nH]n1 1819555851 FUSODSDPTAORET-AZUAARDMSA-N 489.661 5.088 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2Cl)n[nH]1 1820187491 OWQWWOTUJCTARR-SCLBCKFNSA-N 466.916 5.183 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1Cl 1820219635 UXGKJIZHPQODRP-INIZCTEOSA-N 496.017 5.831 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823297 HZTRREHVLJWQTL-UTKZUKDTSA-N 465.985 5.233 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)ON=C(C)C)n[nH]1)c1ccccc1 1820968491 TXFQQKJELICJAW-WGWURMLHSA-N 467.614 5.033 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)cc1 1821145869 HJEMSYDQQAKBMP-RUZDIDTESA-N 499.615 5.397 30 20 JKED C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2cccc3ccccc23)n[nH]1 1821349793 VAIUDTLRAKTHCD-QHCPKHFHSA-N 464.525 5.294 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821519764 LIEJGAZFPOYNHE-JOCHJYFZSA-N 493.709 5.376 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(CC)CC)n[nH]1 1821753245 BNSQWGZUDYZCSK-NOOIUNMQSA-N 477.653 5.253 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1 1822283102 SWLSVFDYJFESLA-SIKLNZKXSA-N 454.640 5.246 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)[nH]n1)c1ccc(O)cc1 1822466412 CCPXWDOOLXXQDC-IXPOFIJOSA-N 496.611 5.108 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)[nH]n2)c1 1823212053 KZOVNLHXOWYCBX-KXBFYZLASA-N 473.499 5.075 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823217544 MHXRWXOHZXHWNW-KBMIEXCESA-N 485.588 5.445 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)cc1 1823684065 YDRFPJTZRTWHII-ZEQKJWHPSA-N 489.582 5.028 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1823926894 WCONREHUEWVLCY-DEOSSOPVSA-N 467.972 5.206 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1824538972 UTEZFMIYWNWXPG-PZJWPPBQSA-N 462.656 5.228 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1824884452 VHUZHVLYULXDDL-NIYFSFCBSA-N 496.026 5.582 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)CC1 1826201669 GMQLSEFYFZCZJU-GOSISDBHSA-N 469.573 5.164 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826264059 INODJCZFLRZYSP-BJKOFHAPSA-N 489.701 5.046 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)CC2)c1Cl 1828043809 CRYPSBSVVXTALS-XMMPIXPASA-N 474.992 5.240 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)CC1 1829683951 UBABRHGHHPKJAC-HHHXNRCGSA-N 472.633 5.145 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1829708000 QRESEZDDUMOMFA-XMMPIXPASA-N 481.036 5.539 30 20 JKED CCCCCc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)ON=C(C)C)CC2)cc1 1830418971 IKVFIVGBGBGDFT-HOFKKMOUSA-N 483.697 5.382 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830737490 UOSGHPHCTGTZHW-FOIQADDNSA-N 486.415 5.167 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1831443829 FPEZVQDFDIMJNB-OAQYLSRUSA-N 471.548 5.095 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831449399 ZAYWDVYAIYYNFC-QHCPKHFHSA-N 480.555 6.031 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cccc(F)c3F)CC2)c1 1831574126 HVVVNERPIGEFNX-UQBPGWFLSA-N 479.571 5.068 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1831852574 SULFVFSMKBXCLM-POURPWNDSA-N 474.645 5.125 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1832028402 NNIHSLANRPLWLT-HSZRJFAPSA-N 451.636 5.032 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1832030359 NLKHODWLSHIQFU-RUZDIDTESA-N 488.713 5.482 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3)CC2)cc1C#N 1832701636 NDPHFHBSOAYWSV-HHHXNRCGSA-N 487.644 5.212 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1)c1ccc(F)cc1F 10172399 OWJSIGIWVDHHML-UHFFFAOYSA-O 477.512 5.801 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)Nc1ccccc1C#N 11019009 YBKKJSMZTSDOLK-OAHLLOKOSA-N 460.946 5.030 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 11164188 DUUBKCBGRSOOGH-UHFFFAOYSA-O 485.698 6.911 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccc(OC)cc1 16865033 UURMCTLWTZLAED-OAHLLOKOSA-N 472.998 5.229 30 20 JKED COc1ccc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC 20916628 TZANYGVSMSQLKL-OZEVPFDHSA-N 495.575 6.012 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 21683622 WZIISXYZMVWMPN-ZDUSSCGKSA-N 481.380 5.608 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 22141765 RCVNRVYYGDOZTE-UHFFFAOYSA-N 486.475 5.255 30 20 JKED Cc1cccc2sc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCCCN4)cc3)c(Cl)c12 22845750 KJSBRTUHUGCMMR-UHFFFAOYSA-N 476.023 5.366 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 23604404 QHXNOUITBTYYSJ-UHFFFAOYSA-O 462.517 5.431 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccccc1 28298362 WMNQRDJWASSPKZ-LEWJYISDSA-N 495.718 5.571 30 20 JKED Cc1ccc(-n2ncc(/C(O)=N/c3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)c2C2CC2)cc1Cl 28934548 TZUHPZDAFXTVIQ-HZPDHXFCSA-N 486.041 5.414 30 20 JKED N#CCSC1=N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)F)cc1 33716934 MVMBDQIDPASDIW-SXGWCWSVSA-N 454.285 5.595 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nc2sccc2c1=O 36812055 RPXFTAZNYDKBCR-NEPJUHHUSA-N 468.431 5.309 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccccc2)cs1 46581759 UXQAJZFMIFJIGL-MRXNPFEDSA-N 452.948 5.482 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 59251719 CVUMEOPIYYNPFC-UHFFFAOYSA-N 454.486 5.490 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 109653626 OMUXGAMSCRABKP-UHFFFAOYSA-N 475.573 6.165 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc12 195557475 CWTZXOPWIZWAKC-QGZVFWFLSA-N 495.942 6.343 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 195696823 BRDYYSJLWWZLPW-RDJZCZTQSA-N 458.942 5.681 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2cccc3ncccc23)c1C 303324085 IHCOOPTYRYMPBF-UHFFFAOYSA-N 460.497 5.349 30 20 JKED C=CCn1c(SCC(=O)Nc2ccn(-c3ccccc3)n2)nnc1-c1ccc(Cl)cc1Cl 477060575 OUPHKDOWVRZKML-UHFFFAOYSA-N 485.400 5.354 30 20 JKED CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 490210726 PWMIBTVAPFFAFP-UHFFFAOYSA-N 490.566 5.098 30 20 JKED Cc1nc(-c2cccnc2)nc(O)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 491049788 KWMGWTZEVSKARZ-UHFFFAOYSA-N 471.904 5.051 30 20 JKED CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 498005319 AZTPVRYORLZUBE-NOXFTYBFSA-N 467.013 5.544 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 498385815 IBPUALGVESIXBX-UHFFFAOYSA-N 481.409 5.650 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1C 500098110 NTRJTDUYAZJQMM-IBGZPJMESA-N 455.587 5.695 30 20 JKED C=CCN(C(=O)C1CCN(c2nc(C)cs2)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 501936687 FWTMAYYESCDPCT-UHFFFAOYSA-N 493.485 6.317 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 502660212 DDNWEDZPEPVKEI-UHFFFAOYSA-N 462.363 5.337 30 20 JKED N#Cc1cn(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2c1=O 502819180 AYUCGBITJDSCLT-XMMPIXPASA-N 462.336 5.086 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 508163034 XMTLTGPUJNCMTK-UHFFFAOYSA-N 499.533 5.011 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCc3ccc(C#N)cc3)n2Cc2ccco2)cc1 510545396 KTRBFRPAFOYILQ-UHFFFAOYSA-N 485.613 5.164 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 511318987 BJYDMWIWEZHWJY-UHFFFAOYSA-N 494.517 5.705 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SCc4cn5ccccc5n4)cc3)n2)cc1 512500805 ZAMNTTMUAQREPW-QHCPKHFHSA-N 496.617 6.249 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1[N+](=O)[O-] 513653942 IBCTYEGQZKZZCZ-MRXNPFEDSA-N 496.614 5.812 30 20 JKED CCOc1ccccc1[C@@H](CC)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 513984592 FBWKCXFOFLASEH-GOSISDBHSA-N 453.593 5.374 30 20 JKED C[C@@H](c1ccccc1)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccccc1 515487748 QSFQDQBQOPAFCO-FCHUYYIVSA-N 481.625 5.982 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 515689206 KVSHSYYBVVRYET-UHFFFAOYSA-N 462.531 5.316 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 515703145 KQBXOHZQNQFNLD-UHFFFAOYSA-N 491.638 5.121 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1 516140896 RQVCOHOYIGXSQZ-UHFFFAOYSA-N 478.577 5.428 30 20 JKED Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)c1 517520418 DPSRZPVBPKAQBL-GOSISDBHSA-N 465.600 5.442 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3ccc(C#N)cc3)n2)cc1 517800701 CFXAEFLHGSFPRR-HSZRJFAPSA-N 481.602 6.473 30 20 JKED COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3S[C@@H](C)CC#N)no2)cc1 518133780 RZFWIPUWRUZEJJ-HNNXBMFYSA-N 454.577 5.011 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 520826354 OUJOACWVBOKCAE-AWEZNQCLSA-N 458.008 6.188 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1 522452060 UAOFTUBKYQVIMF-UHFFFAOYSA-N 484.339 5.263 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c1 522573001 UNUFCNXOQKLJLN-UHFFFAOYSA-N 469.472 5.052 30 20 JKED N#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1 523653587 JXUDPJQLNVHKEJ-HNNXBMFYSA-N 459.358 5.209 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 524182463 XSYVKRGULYWRMD-VWLOTQADSA-N 489.019 5.044 30 20 JKED CSCc1nc2ccccc2n1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524386516 FPUMQSHHJVMJLO-UHFFFAOYSA-N 456.571 5.297 30 20 JKED C=CC[C@H](C(=O)N1CC(CN2CC(C)(C)c3ccc(-c4cnn(C)c4)cc32)C1)c1ccccc1 572663376 NGLCRAXWRHJLTP-VWLOTQADSA-N 454.618 5.003 30 20 JKED Cc1nc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)sc1SCC#N 573240269 PULXYGGARLFIDE-UHFFFAOYSA-N 474.405 5.661 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(CC(C)C)c4ccc(C#N)cc4)cc3C2=O)c1 603529190 ZHKROTDCONIVFS-UHFFFAOYSA-N 451.526 5.279 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C 603739828 JNWGQTSIBCLSNO-UHFFFAOYSA-N 455.493 5.755 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](c3ccc4c(c3)OCCO4)C3CC3)c2)cc1 604084697 CTHCNGKCZCYNBN-MHZLTWQESA-N 469.541 5.376 30 20 JKED CCOC1CCN(CC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccccn2)CC3(C)C)CC1 604273731 DMEAWLCXCNIWEF-HJWRWDBZSA-N 476.646 5.232 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(C(F)(F)F)c1 608923078 CGDDBZPTJNOYJN-JOCHJYFZSA-N 496.489 5.606 30 20 JKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609060400 CUGGRHOEZFWBCY-GOSISDBHSA-N 460.555 5.352 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 609079145 MAVHNFJLAJJOLM-OAQYLSRUSA-N 499.489 5.026 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCN(c4ccccc4)CC3)cc2Cl)c1 609080656 RJCMJIWIICQPNX-UHFFFAOYSA-N 460.965 5.535 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2F)c1 609110658 NYGKBVKKCZTCRI-OAQYLSRUSA-N 472.520 5.159 30 20 JKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)NCc1ccc(C#N)cc1F 609254063 WSMZHRZUEIGMDP-UHFFFAOYSA-N 487.966 5.604 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)nn2C(C)(C)C)nnc1-c1ccc(Cl)cc1Cl 612414066 GYVXATTUDMBLGR-UHFFFAOYSA-N 479.437 5.429 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccc2ccccc2n1 613292736 TWNJSUNJLGOQQB-HXUWFJFHSA-N 470.326 5.740 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(CC)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 615941414 FYXOLDATHURHET-ZDUSSCGKSA-N 456.568 5.557 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 642565687 RTOSSSPEEKAZDU-MQYQWHSLSA-N 491.398 5.343 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 726075032 ZGWKXKNOYNLGTP-NDEPHWFRSA-N 452.602 5.514 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726312244 YMAQAYLYWDGOQG-AREMUKBSSA-N 496.542 5.166 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)OCCOc1c(C#N)cnc2ccccc12 726363974 ZBWIGDIGLWZNKJ-UHFFFAOYSA-N 459.527 5.239 30 20 JKED CCOc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\[C@@H](C)c1cccs1 726420520 INGDOANLNXKJOY-GDYZFOACSA-N 494.642 5.132 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)Cc2ccccc2-3)cc1 726570859 MMQJXIGSAGBNIM-UHFFFAOYSA-O 495.027 6.702 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](c2ccccc2)C2CC2)cn1 726891618 PDLXJLUKEQQUBW-RCZVLFRGSA-N 486.597 5.202 30 20 JKED CC(=O)Nc1cccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 728061782 ANMDKWYCHQZAPH-MRXNPFEDSA-N 462.937 5.188 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)c2)cc1 728117667 MSVZFSHNHYBOJM-VWLOTQADSA-N 479.502 6.719 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 728412815 XBFDMVHRPGYSMQ-VFNWGFHPSA-N 471.479 5.307 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)cc1 728775863 DOADYSDGTBHNPM-JOCHJYFZSA-N 478.618 5.356 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2CCCCC#N)c1 728776973 HOGRUQQPPDBQHL-QHCPKHFHSA-N 477.634 5.024 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc3c(c2)CCCC3)c1 729668132 CQDMWRGARLDRFR-UHFFFAOYSA-O 483.997 5.245 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730943989 PFNGMZSDGQYNNM-FDDCHVKYSA-N 476.577 5.559 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 731061232 UWQQOOBCTFAKKZ-GOSISDBHSA-N 473.598 5.551 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Br)cc2ccccc12 731077120 FVOCTXUUSPDITH-OAHLLOKOSA-N 483.387 5.650 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(Cl)cc2)c1 731310651 MQIUKZCMCIPYMS-JOCHJYFZSA-N 495.988 5.215 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(C3CCCC3)C2=O)cc1 743526535 VUDUTJGLMVZKMY-QFIPXVFZSA-N 467.566 5.240 30 20 JKED COc1cc(C(=O)/C=C\c2cc3ccccc3nc2N2CCOCC2)ccc1SC(F)F 746347374 ZIUZHBGFRIOYQQ-VURMDHGXSA-N 456.514 5.291 30 20 JKED C[C@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 748034705 VBWDWPAONGKICG-INIZCTEOSA-N 476.499 5.679 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3cccnc3)C2=O)c1 837386044 JXXVYMPEVVUGPZ-JPYJTQIMSA-N 474.586 5.120 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 837423235 FDAFCJYRSWHOKV-JPYJTQIMSA-N 476.577 5.559 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)CCc3ccco3)C2=O)cc1 837520479 HUACHGHTASWZKB-HOYKHHGWSA-N 489.597 5.464 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N([C@@H](C)c2ccccn2)C1=O 837705327 KJEDRZMHRGSDCG-AOMKIAJQSA-N 495.004 5.465 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccccc1 838486417 OBTJAQFZDCFNLD-HSZRJFAPSA-N 477.561 5.037 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)c(C)c2)ccc1Cl 892741158 OCWNZOYOQXCDBA-UHFFFAOYSA-N 498.004 5.240 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(NC(C)=O)c1 913120333 GYHBZFGCBGCKSL-SFHVURJKSA-N 491.400 5.098 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2sccc2C)c1 914543134 LSUKWYGRKUKHJY-FQEVSTJZSA-N 483.590 5.365 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 914694517 MSTCIXGWXMDGKF-IERDGZPVSA-N 451.523 5.010 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)SCc3nc(O)c4c(C)c(C)sc4n3)n2)cc1 915101115 DAPBVBSENTXNFC-DOTOQJQBSA-N 494.667 5.944 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 915124689 UPCJWWGTMIZFRH-XMMPIXPASA-N 492.670 5.490 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1 915179704 GMYZZIASPAHPGO-HXUWFJFHSA-N 463.331 5.057 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1 915511919 JCZZZUDXTHHLHS-UHFFFAOYSA-N 455.297 5.240 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 915860020 DCJSJHVYMBALSZ-UHFFFAOYSA-N 460.497 5.349 30 20 JKED COc1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)ccc1OCCOc1ccccc1Cl 916154796 VAMXOWYZMXUCRF-PXLXIMEGSA-N 472.994 5.309 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2F)cc1OC 916208454 GDPJLONMVUJHEJ-HSZRJFAPSA-N 493.560 5.003 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(SC(F)F)cc1 916214508 NOSMKCLHDMYTIY-LJQANCHMSA-N 493.601 5.225 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCCc2c1cc(C)n2-c1cccc(C(F)(F)F)c1 916438160 GUAXCRODRXPXGK-DEOSSOPVSA-N 497.565 5.658 30 20 JKED CC(=O)C1=C(c2ccc(Br)cc2)N(c2cccc(C)c2)C(=S)N[C@@H]1c1csnn1 916723089 GHVPGTDSMKIDPE-LJQANCHMSA-N 485.432 5.045 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916845944 YWOYILJUFMOHJY-PODYEWJSSA-N 477.895 5.838 30 20 JKED N#C[C@@H](C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl 916927035 CYDPRGKCAVVHCD-LBPRGKRZSA-N 489.237 5.070 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 916949129 MEQIMWDQEZMCFX-KKSFZXQISA-N 464.953 5.574 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 916954521 IQFDGPCDJXAAPI-YJYMSZOUSA-N 466.632 5.570 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)n2)cc1 916974033 DRNZPGYPJKROKX-RXVVDRJESA-N 484.408 5.906 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1nc2ccccc2n1C(F)F 917043858 PREDRPZGMKBRHL-AOMKIAJQSA-N 496.311 6.190 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046819 QSJUYMKPRYAQNR-ZDUSSCGKSA-N 490.766 5.238 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 917119870 ZFIFUZAYDZSLBI-FYYLOGMGSA-N 452.583 5.807 30 20 JKED C=C(Cl)COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1 917559763 CHZFLELVWZRKCK-GHXNOFRVSA-N 456.926 5.994 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3ccc(Br)cc3C2=O)cs1 917560048 GAMNZLRSSIHFLL-DHDCSXOGSA-N 469.360 5.557 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@@H](C)c2ccccc2)cc1 917608808 BWACYHPMQQTLOQ-NRFANRHFSA-O 488.677 5.895 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc3ccccc23)n1 917652570 NOFLZUZGDHALCK-XMMPIXPASA-N 499.571 5.238 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)cc1C 917660957 SJADMFJRZFIACQ-KMDXXIMOSA-N 494.636 5.030 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)cc2Cl)s1 917679856 WZHKDBICSXACCH-KRWDZBQOSA-N 468.431 5.164 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CC(F)(F)F)C2=O)c1 917699760 CFCJOBHABOHFDY-OAQYLSRUSA-N 485.531 5.979 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918671097 NBWRVNRSIQGICL-CHWSQXEVSA-N 471.804 5.235 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1 919294929 HHDDGNSHVQBYAI-UHFFFAOYSA-N 489.277 5.515 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2cc(Br)cs2)no1)c1nc(-c2ccccc2)cs1 920113747 NGDDJRLNHBYHEV-AWEZNQCLSA-N 485.388 5.493 30 20 JKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141870 MXEKTHWLZAJGDW-LRDDRELGSA-N 458.395 6.346 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@H]2CCCO[C@H]2c2ccccc2)c1 920355169 LOYCIBZGLTWBSO-QQSVUBKYSA-N 491.657 5.072 30 20 JKED CCOc1cccc(C=Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2OC)c1O 920942421 BLGLOBLXZWIRJM-UHFFFAOYSA-N 460.939 5.004 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 928682017 RWUXQEHZFYFQBL-MRXNPFEDSA-N 479.533 5.159 30 20 JKED C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOC(C)(C)C)c1ccccc1 1359138597 YMHWYPYTQMRCDJ-UHFFFAOYSA-N 458.404 5.000 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4CCCCO4)cc3)CCC2)cc(C(F)(F)F)c1 1786646913 PWLQZTJIXCZYSF-QFIPXVFZSA-N 485.506 5.284 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cn(-c4ccccc4)c4ncccc34)CCC2)cc1 1787885835 PTXYWYCGRDGSQR-UHFFFAOYSA-N 463.541 5.077 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Br)cc3)CCC2)cc1 1787889334 WWDBYPNEDSEAKY-UHFFFAOYSA-N 484.394 5.046 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788737909 ITFDHDGGLFNINU-HXUWFJFHSA-N 470.573 5.297 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789198787 CAGKMXIQSJIIHX-VXKWHMMOSA-N 497.680 5.760 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)cc2)CCC1)C(F)(F)F 1789231584 WINIUDWUVHXGTN-UHFFFAOYSA-N 463.406 5.312 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1 1789508825 OGRAOWFKEAQSNR-UHFFFAOYSA-N 472.665 5.313 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@H]54)cc3)CCC2)c1 1789531021 ACQXTBHCEKNLEY-GSDHBNRESA-N 495.604 5.202 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccccc4Br)CCC3)cc2)c1 1790148390 OZOWGZHVLBFMQF-IZZDOVSWSA-N 489.373 5.110 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)cc3)cc2)CCC1 1790151616 XSMNOYOCWUEFQD-UZWMFBFFSA-N 499.590 5.107 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)CCC1 1790680660 MKJYDGWAOCPNPG-OAQYLSRUSA-N 476.621 5.226 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)cc1 1790705342 UEEMGTWQZPXWOR-UHFFFAOYSA-N 479.367 5.516 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)Cn4ccc5c(F)cccc54)CCC3)cc2)c1 1790761796 BQKAXWARAGEAIN-UHFFFAOYSA-N 484.506 5.239 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cnc1C 1790763940 HERSODNJOAXMPR-UHFFFAOYSA-N 458.949 5.285 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cccc4nc(C)sc34)CCC2)cc1)C(F)(F)F 1791303260 RXXILACFSCLYHC-UHFFFAOYSA-N 459.493 5.471 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Br)cc3)CCC2)cc1 1791577699 RBNCYEHNNODRPL-MRXNPFEDSA-N 491.451 5.061 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H](C)CCN3C(=O)OCc3ccccc3)CCC2)cc1 1791587644 AQUSHELZUMNYCZ-PXDATVDWSA-N 489.616 5.134 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ncc(Br)cc3C)CCC2)cc1 1791728015 SYLBQFGRSUGYPL-UHFFFAOYSA-N 468.395 5.094 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c4ccco4)cc3)CCC2)C1 1791801983 CPBPSVBERYDUBD-QFIPXVFZSA-N 493.604 5.336 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)cc1 1792264070 ZRYDQPSBMZXBDU-UHFFFAOYSA-N 464.363 5.092 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCSC4)cc3)CCC2)c(Cl)c1 1792288898 UBAYDEHBWGMOLA-QGZVFWFLSA-N 453.995 5.103 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)ccnc3c1)C2)c1ccccc1 1798556887 NRGJIESNBBZSFV-UEQSERJNSA-N 486.015 5.337 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)c1Cl 1799305641 AHYHMLHXERXEIF-REPLKXPHSA-N 483.955 5.677 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cccc4s2)C3)c1 1800766445 MMGRANIZUFIBLG-REPLKXPHSA-N 463.990 5.300 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c[nH]c3c(Cl)cccc23)c1 1801108067 XIOBNVYQDJNBKR-GEALJGNFSA-N 460.965 5.014 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1801697047 CYSJYBGHOMUSBU-SFNKJDCFSA-N 475.967 5.091 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1803091154 NFHPLLXYIMGZIL-LXFBAYGMSA-N 493.607 6.069 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1803605661 GHNOAKLPZLEJBC-XPGWFJOJSA-N 499.986 5.028 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803986265 QVAMTAUAGCJTEL-XDTOLWODSA-N 477.571 5.225 30 20 JKED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCc1ccccc1 1804260116 YRULQPQCVXKVGL-URBBEOKESA-N 469.670 5.399 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)s2)[C@H]1c1cccnc1 1804460186 GZPAGZUIGMWYSW-XUZZJYLKSA-N 453.652 5.083 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)CC3)C2)cc1 1804752809 FIGSLZKQHWNREE-UHFFFAOYSA-N 489.019 5.171 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3SCc3ccccc3)CC2)C1 1806063009 JGMSTOUYZREJMX-QHCPKHFHSA-N 497.730 5.173 30 20 JKED Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)cc(C(F)(F)F)c4)CC3)C2)cc1C 1806640215 XBQQGWUMWLPYIG-UHFFFAOYSA-N 497.561 5.281 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1810174038 LBXWTVYPODVRCI-NIRIFSCTSA-N 482.024 5.222 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@@H]1c1cccnc1 1810499182 VBSYEBJPJUBQNY-ILBGXUMGSA-N 479.690 5.489 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810946273 GSYJWOSOOOUTOH-SIKLNZKXSA-N 491.529 5.552 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811832514 UBUWZXKVIVEEDY-YKSBVNFPSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812220208 NDLDISGLHBIVOB-PPJWLVRDSA-N 473.642 5.693 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1815208484 AYBZWIOROBOVOY-VWLOTQADSA-N 489.620 5.106 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817745439 KXCZWMFCDQXNMZ-WMZHIEFXSA-N 457.578 5.298 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)c(Cl)c1 1818117764 CQNVXQPJXSHNRU-JBVUFVISSA-N 482.993 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1819305218 QSDGOWWEUGBZDI-SIKLNZKXSA-N 493.995 5.792 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)[nH]n1 1819307526 IOBXGELXWSYJHF-QPPBQGQZSA-N 491.636 5.531 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1)c1ccccc1 1819518768 DBZKQCDTHSZJNG-XXBNENTESA-N 485.613 5.456 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3nc(C)sc13)CC2 1819599962 PHBXHORVWPNDEX-HOTGVXAUSA-N 466.632 5.055 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820088274 OGAIJYDNMIFQHS-LJQANCHMSA-N 494.502 5.063 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccccc4)[nH]n3)n[nH]2)c1 1820278875 XBAWUJVGXMRHSS-CJAUYULYSA-N 493.571 5.047 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)ccc2OC)n[nH]1 1820652690 RUOIIFYSPXGENO-HXUWFJFHSA-N 456.974 5.146 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821090402 SJYYTEDYQIAGDI-IBGZPJMESA-N 480.918 5.581 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821611817 RRYBHGHPYKVFGH-JTHBVZDNSA-N 486.572 5.188 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CCC2)n[nH]1 1822488693 DAEBNESXUBRXLV-NRFANRHFSA-N 497.437 5.090 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[nH]n1 1822580093 SCIHGXRJIOAOGA-VWLOTQADSA-N 494.599 5.453 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)[nH]n2)c1 1823211712 GVNYLEVEYYRELX-AUUYWEPGSA-N 485.466 5.268 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)[nH]n2)c1 1823216711 MZOGOQRMJFRQPK-CJFMBICVSA-N 481.600 5.465 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)c(F)c(Cl)c3)n[nH]2)c1 1823278031 BCHQHJZNEMUBDM-QKKBWIMNSA-N 497.933 5.588 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccs3)[nH]n2)cc1C#N 1823291447 RXORKYPFWQKGTE-JOCHJYFZSA-N 491.617 5.069 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2Cl)CC1 1823621667 VGTQAASZNHSFSY-QFIPXVFZSA-N 474.121 5.019 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C)c4ccccc34)CC2)C1 1823705459 YQJNHIYXAPQVCC-NDEPHWFRSA-N 458.646 5.667 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1823887526 IARKZWZBACDAFM-OAQYLSRUSA-N 464.437 5.095 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1 1823901699 WKATVKNWOWWHRH-BVZFJXPGSA-N 481.999 5.653 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1824956478 LGNGEBAHWOTUGZ-RUZDIDTESA-N 465.663 5.143 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccncc3C(F)(F)F)CC2)c1 1827853595 PPKNFGKJSDASIR-MHECFPHRSA-N 498.549 5.275 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c(Cl)c1 1828132642 QOGAYZVRIRZACQ-JOCHJYFZSA-N 493.032 5.368 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828151324 ANALFGUHPPGFPZ-OAQYLSRUSA-N 463.956 5.266 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828515135 NAEMSJHDZKDSPO-SANMLTNESA-N 495.715 5.591 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1828519197 YFKMKBOFKQZQSB-UZTOHYMASA-N 486.591 5.481 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(C)cccc4[nH]3)CC2)c1 1828577641 MZGIRSODPKGYRQ-MHZLTWQESA-N 468.601 5.204 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606067 FFTXMQGDTWKJPZ-LJQANCHMSA-N 464.553 5.485 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c(C)c1 1828983946 AKSNWVQTQWEPTQ-MUUNZHRXSA-N 486.660 5.105 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)nc2C)CC1)c1ccccc1 1829031914 HBBPVSUQWTYASC-IZLXSDGUSA-N 471.645 5.129 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829574099 YVHZBIGQRDYLMV-DEOSSOPVSA-N 471.601 5.465 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(=O)OCC)c2F)CC1 1829644484 IJELEFQQGCWIML-QPPBQGQZSA-N 484.612 5.004 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830408966 DCEHXIANVLFQBA-DBVZYWDVSA-N 463.622 5.022 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1Cl 1830471198 GEUARINFFXXCAE-FYYLOGMGSA-N 481.102 5.315 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1830770796 HEKVPRSYHPYXHL-MHZLTWQESA-N 473.617 5.203 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCCCC(F)(F)F)cc3)CC2)C1 1830795292 NARQTORBYHWLDN-DEOSSOPVSA-N 492.582 5.607 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2s1 1830894497 XEXSMRHJWXLSRW-IQGLISFBSA-N 488.657 5.712 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)CC1)C(F)(F)F 1831453798 LCZSDXORJVUJDZ-INIZCTEOSA-N 479.326 5.051 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1831844570 BMKHFBHTOSIVDH-PISWEHOVSA-N 486.628 5.436 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831852175 UKHJNPHBQIPKSO-RUZDIDTESA-N 456.586 5.623 30 20 JKED Cc1cc2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c2cc1C 1832632436 QFDHCEZUIRMHFS-ZBLYBZFDSA-N 497.643 5.354 30 20 JKED CCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nc2scc(-c3cccs3)c2c1=O 9751171 WGVOENZOQVZQDM-CYBMUJFWSA-N 466.613 5.197 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(O)c1 11153189 IEYGWLMLGGAPRN-UHFFFAOYSA-O 453.587 6.014 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)c1 11261965 HKCUHICVYTXFGH-UHFFFAOYSA-O 453.653 6.009 30 20 JKED CC(C)n1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccc(Cl)cc1Cl 12348886 XEVYYOGNTNREBQ-ZDUSSCGKSA-N 460.390 5.824 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccoc1C 14063811 KKYRVMCFDMTJFA-UHFFFAOYSA-N 451.577 5.195 30 20 JKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 15184708 WDXPNFHACDUZBD-FQEVSTJZSA-N 489.645 5.080 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccc2c(c1)OCCO2 15248010 AAVFZZQWYXYXJH-UHFFFAOYSA-O 460.362 5.103 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)cc2)c1 16597808 OTDLVQGRIWGXOU-UHFFFAOYSA-N 470.978 5.291 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCc2cccs2)nc2sc(-c3ccccc3)cc2c1=O 16715739 NRMRROMNKTVLJX-HNNXBMFYSA-N 467.641 5.170 30 20 JKED N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)nc1N 21425787 JORXMLILCPRIKX-UHFFFAOYSA-N 496.415 5.052 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(Cc3ccccc3)cc2)s1 22728280 QOCJYUKKDCZFLG-UHFFFAOYSA-O 492.089 6.948 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccc(F)cc1 24014868 LNHTTXWMRLAXKS-VIFPVBQESA-N 472.414 5.085 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cc(C)ccc2C)cc1 28793491 KUBQLWUYKILCRS-UHFFFAOYSA-O 490.693 6.693 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1 29351585 GUHSNKCDFSKNRS-UHFFFAOYSA-N 499.017 5.425 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1nn(-c2ccccc2F)c2c1CCC2 32176990 OKLPLQWLBUMCRZ-RYUDHWBXSA-N 463.397 5.139 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc2sccc2c1=O 36799816 PBYHEFSLPYAIRV-UHFFFAOYSA-N 460.795 5.335 30 20 JKED Cc1ccc(-n2cnnc2SCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl 45699021 SHBWIKSEVIJEET-UHFFFAOYSA-N 458.012 5.162 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N(C)C)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 68750326 NBRHKLWNGLVBDJ-UHFFFAOYSA-N 475.639 5.614 30 20 JKED CN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 71944232 YKBYRIOWTQDJPK-UHFFFAOYSA-N 453.546 5.075 30 20 JKED CC(C)c1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccc(C(F)(F)F)cn1 108293582 ZFSREPXOEFEABU-UHFFFAOYSA-N 457.456 5.344 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)n2)cc1 108978327 OOWCPLYHMKMXGI-QHCPKHFHSA-N 483.574 5.146 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)c(C)c1 255230519 UZBZJRNYAYNPQX-OAQYLSRUSA-N 451.523 5.196 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 255930648 LQEBJFDFUXDEGY-CYBMUJFWSA-N 497.835 6.123 30 20 JKED Cc1ccc(C)c(SCc2nc(O)c3c(C)c(C(=O)N(CCC#N)CCC(C)C)sc3n2)c1 303189039 JMMCTHPJVWSYRH-UHFFFAOYSA-N 482.675 6.016 30 20 JKED CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 497786854 OEQUFSWHFHOXJH-UHFFFAOYSA-N 462.571 5.103 30 20 JKED C=CCN(C(=O)COc1ccccc1C(C)(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 498841355 NAULKLYMXPCOGL-UHFFFAOYSA-N 484.643 5.109 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 500746151 UWWIIUTUPVDLFR-UHFFFAOYSA-N 477.586 5.250 30 20 JKED C=CCN(C(=O)c1sc2ccc(F)cc2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 505997369 UWWJRZVBHCQKPY-UHFFFAOYSA-N 486.615 5.709 30 20 JKED COc1ccc([C@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC 509054252 CODCWZCFGJOWME-HXUWFJFHSA-N 453.608 5.072 30 20 JKED C[C@H](NC(=O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)N[C@@H](C)c1ccc(C#N)cc1)(C3)C2)c1ccc(C#N)cc1 509960156 ZYFTZLUZWBAMFS-LJPIEXAQSA-N 494.639 5.461 30 20 JKED Cc1cc(NC(=O)C2(C#N)CCCCC2)ccc1NC(=O)c1ccccc1I 512800649 FUTFSBCHHRIMOB-UHFFFAOYSA-N 487.341 5.265 30 20 JKED C[C@@H](NCC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 513192177 FETOYMLXVWZAGW-QGZVFWFLSA-N 472.054 5.207 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccccc2OCc2cccc(Br)c2)nc2ccccc21 513673198 YIUDGZWVRAPRQE-LJQANCHMSA-N 460.331 5.405 30 20 JKED Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)c2C)n1 515707114 JOSBTLQPNHVLLX-UHFFFAOYSA-N 486.963 5.395 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(OCC(F)(F)F)cc1 517869117 YIBMVSFMQFEVFR-LBPRGKRZSA-N 461.362 5.323 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 518239435 CLUUQXIWPUFZED-LJQANCHMSA-N 499.702 5.418 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2)cs1 518600092 DNXDJLHDHXQPLN-GOSISDBHSA-N 496.592 5.907 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 518673770 GAWIOYYDKXWAAX-JOCHJYFZSA-N 463.990 5.384 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 519515321 CFSCIKVDUWTINC-SFHVURJKSA-N 471.648 5.286 30 20 JKED C=CCOc1c(Br)cc(CNCC2(c3ccccc3C)CCOCC2)cc1OC 520201795 OTPHUISNUGQWHZ-UHFFFAOYSA-N 460.412 5.169 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 520724737 JOEOFFHQGVLRFK-UHFFFAOYSA-N 476.001 5.102 30 20 JKED CCN(C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1)[C@H](C)c1ccc(C#N)cc1 520735241 NKDUZGMGVMPXJX-MRXNPFEDSA-N 468.351 5.420 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 520814532 DULXLWGDWGKYKS-SJORKVTESA-N 499.687 5.168 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)s2)cc1 524297698 TURNPWLNVHDLAF-UHFFFAOYSA-N 458.779 5.367 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3ccccc3C(F)(F)F)cc2Cl)c1 524432482 HYQQOMUDYSGONO-UHFFFAOYSA-N 487.865 5.064 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)c1 589792090 PRRPWTRWNRPAEU-UHFFFAOYSA-N 483.612 5.159 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1ccccc1Cl 590995283 SFGZHFQKTLEVGT-GFCCVEGCSA-N 461.856 5.348 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)n1 603594447 VECIRDCWSKGJEB-LLVKDONJSA-N 463.403 5.149 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)c1ccc(C#N)cc1 603737631 VRYUTCCFEHOTQJ-MRXNPFEDSA-N 451.389 6.104 30 20 JKED CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603829023 PGITUWHRIPJDAV-JOCHJYFZSA-N 452.986 5.250 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)c1 609035491 SCUVRLIFESLUEP-UHFFFAOYSA-N 469.950 5.076 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(OCc2cccnc2)cc1 609123992 JWGPUBYUWDUFCB-FQEVSTJZSA-N 496.542 6.133 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)n1 609174834 WZTOUJGWIOQQBO-HHHXNRCGSA-N 450.542 5.122 30 20 JKED CCC(CC)(CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 609439130 BAONTQNTOXNBLD-KRWDZBQOSA-N 458.027 5.547 30 20 JKED Fc1ccc(-c2cn3nc(N[C@@H]4C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C4)sc3n2)cc1 613437771 JHANXJBNVQJSOG-PJXYFTJBSA-N 452.399 5.918 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(Cl)cc1 617896711 ZAGKMLTUEMITLT-INIZCTEOSA-N 455.027 6.029 30 20 JKED C=CCCOCC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 620326462 AMZRRDGJSBIAPL-UHFFFAOYSA-N 463.581 6.555 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281931 RXDVBQIKKYFAHJ-LJQANCHMSA-N 451.960 5.989 30 20 JKED C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nnc1-c1ccc(Cl)cc1 684966087 ZOXXCNCHOSXYHG-UHFFFAOYSA-N 477.899 5.744 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CC[C@H](C)OC)C2=O)c1 726393188 MZGVMAHXUVVFIH-UUOWRZLLSA-N 491.613 5.234 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2ccco2)C1=O 726419171 DLUHLWAWKSCJEO-JCPNLMEESA-N 497.642 5.720 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)c1 726572852 HXUBTECSUIUXSU-UHFFFAOYSA-O 465.554 5.777 30 20 JKED COc1ccc(N2CCC(NC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 726696182 ZEMDECUFXLVYGQ-UHFFFAOYSA-N 470.573 5.131 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccc(C)s2)cn1 726888041 KQTNBNWWGSDDJJ-MGPUTAFESA-N 498.605 5.321 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2cccs2)cc1 727241252 NFWGCUKDIMOHSQ-DEOSSOPVSA-N 455.587 5.106 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2ccccc2c1 728424828 IOCRCRSZLBWYBZ-HOYKHHGWSA-N 486.597 5.097 30 20 JKED CCOc1cc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)ccc1O[C@H](C)C(=O)N(C)C 728441048 CFAPGEJRFNREKW-QAAVPBIRSA-N 482.577 5.408 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(CCCCC#N)C2=O)cc1 728777792 OUYYPAJZLQBMLV-HSZRJFAPSA-N 462.619 5.773 30 20 JKED CC(C)CN(C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F)c1ccc(C#N)cc1 729175013 OQEPRXAVDARSEL-LJQANCHMSA-N 491.588 5.140 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)c(C)c1 729632796 AMTRJPXCBIBUDN-QHCPKHFHSA-N 458.587 5.167 30 20 JKED C[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 729769476 RFBNJZFMJHFZRD-NSHDSACASA-N 450.709 5.309 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccc(C#N)cc1F 729818934 PNULUXDTQRRWPN-DEOSSOPVSA-N 497.555 5.038 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccc(F)cc2)c1)c1ccc(Cl)cc1 730550038 SNEXXIXWZCVZQH-UHFFFAOYSA-N 451.914 5.161 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O 730719184 BFDOQRLDFBJVQK-IBGZPJMESA-N 489.384 5.450 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)cc1Cl 730722681 STEPVMBIINCING-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1ccc(C)n1-c1sccc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731065124 WLLUGNUOKCJLIW-HNNXBMFYSA-N 453.589 5.203 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731068680 CVGUADVMJGWWKK-CQSZACIVSA-N 486.018 5.962 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 731068800 ITEAMRYBUQIXNE-KBPBESRZSA-N 467.374 5.194 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cscn2)cc1 731306919 FIHSKWWYFLHGGQ-NRFANRHFSA-N 480.615 5.133 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@H](C)c2cccs2)cc1 731312118 LAHMTKICVGUZAK-NSJWOJMJSA-N 479.627 5.352 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c1 731312160 IODOYXCDSMLHOP-ZHRRBRCNSA-N 481.549 5.024 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N([C@H](C)c3cccnc3)C2=O)c1 743526232 PGNKYGQPHCFSAE-UZUQRXQVSA-N 492.576 5.259 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2cc(C)ccc2F)cc1 744114952 IAULUIJNSJAXCJ-UHFFFAOYSA-O 464.586 5.460 30 20 JKED O=C(/C=C\c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 745625711 DWKZGVHILCMIAL-POHAHGRESA-N 464.861 5.893 30 20 JKED COc1c(Br)cc(Br)cc1/C=C/C(=O)c1cccc(N2CCOC2=O)c1 745626412 ONACIGUZKNBQJT-AATRIKPKSA-N 481.140 5.073 30 20 JKED C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)-c1ccccc1C2)C(=O)N(CCC#N)c1ccccc1 746634022 WSPMOEFDSCYFBV-HXUWFJFHSA-N 466.537 5.099 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)cc1 746698155 WAZQGHOGNBRFNV-QHCPKHFHSA-N 497.661 5.478 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)nc1C 747338655 NDZNUUPENIHSBW-INIZCTEOSA-N 478.647 5.465 30 20 JKED CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)Nc2ccccc2SCC#N)cc1 775235810 UGAKYZSDMDXWFE-UHFFFAOYSA-N 473.558 5.579 30 20 JKED CC(=O)CCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccc(C)o1)CC2(C)C 792231166 LFJWXSSCOUPUHL-VQHVLOKHSA-N 466.559 5.150 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1C 799215809 POXCRIFAFMWLCL-SFHVURJKSA-N 460.386 5.204 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1 799223593 JZYQESAQVFCMSH-HNNXBMFYSA-N 476.307 5.516 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H](C)c3ccccn3)C2=O)cc1 837302437 WTJDGQCHKAXCTJ-XXBNENTESA-N 458.587 5.420 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)c(C)c1 837422794 PJBCRNUSYWWNSH-XMMPIXPASA-N 478.662 5.137 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccccn2)cc1 837860881 OHSUHLJUCOSQMT-NRFANRHFSA-N 482.968 5.343 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)C2CC2)ccc1Cl 875158937 UNQLETZFZXLIKJ-HNNXBMFYSA-N 467.418 5.245 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 896705422 FYEPUYLMOAUPNT-UHFFFAOYSA-N 494.935 5.305 30 20 JKED Cc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914538001 IGERKAODRAUQSC-IBGZPJMESA-N 475.586 5.110 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 914549687 GLYQRGLYSDSGIJ-DVECYGJZSA-N 472.614 5.043 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N([C@H](C)Cc2ccco2)C1=O 914690559 ZINMWOUNNRBIGT-HXOBKFHXSA-N 495.576 5.327 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)Cc2cccs2)C1=O 914694213 FAKDVHHNWACMSC-KSFYIVLOSA-N 497.617 5.487 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c(=O)oc2c1 915085791 CCBKXRIUTIVVEA-VWLOTQADSA-N 452.510 5.337 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CCc3ccccn3)C2=O)cc1 916205589 QLPBBKPCLMXWLI-QFIPXVFZSA-N 496.995 5.386 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C[C@@H]1CCCO1 916215952 LZJXBMTUIQEGGL-UPVQGACJSA-N 473.598 5.288 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CC2)C1=O)Nc1ccc(F)cc1F 916217492 OETPUUOCBQRQNR-KRWDZBQOSA-N 470.328 5.394 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 916284268 UKYMAKWJAJGPPS-UHFFFAOYSA-N 488.016 5.831 30 20 JKED C/C=C/c1ccc(OCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1 916907627 ZHXAZGHMDWQJAI-XFHFFWBUSA-N 456.498 5.247 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)cc1 916910837 CIWISKMLPPSILC-VWLOTQADSA-N 465.553 5.686 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(NC(=O)c2cccs2)c1 916926951 AAIHKPXMYJSDAP-OAHLLOKOSA-N 458.326 5.268 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916929886 DHTFBZJZUKQCHE-IDTUSYRASA-N 456.342 5.094 30 20 JKED CC(C)[C@H](NC(=O)c1cccs1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995007 ALLPBLIQOYFESF-KSSFIOAISA-N 478.426 5.809 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC[S@@](=O)c1cc(Cl)ccc1Cl 917175409 IHUDSGWQKAYJRJ-SSEXGKCCSA-N 486.421 5.389 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@H](C)c2ccccc2)[n+]2ccc3c(c2)CCCC3)C=C1 917609901 LTINDIJDIUHXHU-LJQANCHMSA-O 472.634 5.185 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc2c(c1)CCCC2)[n+]1ccc2c(c1)CCCC2 917612178 LOONNUPLQWSSOP-UHFFFAOYSA-O 466.630 5.927 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c1 917673216 BKAZJVGIONNGGO-HSZRJFAPSA-N 494.567 5.446 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(C#N)cc3)C2=O)c1 917675487 LAKRRGZNARVJTR-XMMPIXPASA-N 468.582 5.336 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccccn1 917697836 QZHOZXRNBGHJGG-QFIPXVFZSA-N 464.635 5.129 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)n(C2CCCCC2)c1C 919369050 XTOIUVASUBTCKN-IRXDYDNUSA-N 453.505 5.332 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccn2)ccc1Cl 919985776 XPMYOAIYFKZJRL-UHFFFAOYSA-N 490.412 5.042 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2c1C 920108939 CHNIIGPFFBKABJ-INIZCTEOSA-N 485.059 6.444 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 920176632 UOXBSMQUYOARAN-OSPHWJPCSA-N 488.588 5.431 30 20 JKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 920788972 ZNHZJJHFSZFVIW-SANMLTNESA-N 474.564 5.386 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4c[nH]c5cc(OC)ccc45)CCC3)cc2)C1 1785807559 KNYXBQJNDWEFLI-NYYWCZLTSA-N 455.558 5.290 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1785936670 DPNSWJWQZJXXOU-UHFFFAOYSA-N 456.571 5.451 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCc5ccoc5C4)cc3)CCC2)c1 1786218416 YQKAXLDNAAKOSQ-OAQYLSRUSA-N 453.542 5.013 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(O)cc3Cl)CCC2)cc1 1786679763 PCNWQDLBDSNVIE-VZUCSPMQSA-N 456.995 5.112 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)(C)C)oc3C)cc2)CCC1 1787390730 PJQYIGXBZWYTFH-GOSISDBHSA-N 453.583 5.434 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982588 XTNYBFQDYRJUCX-UHFFFAOYSA-N 479.964 5.078 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982724 MBVZHUNHQLZPAG-MRXNPFEDSA-N 451.954 5.160 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cc[nH]n5)n5ccccc45)cc3)CCC2)C1 1789220388 MTCTXWBKKDJTHJ-UHFFFAOYSA-N 465.557 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4sccn34)cc2)CCC1 1789374744 NIRCRUWOAWOOFC-UHFFFAOYSA-N 450.608 5.444 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cn3ccc4sccc4c3=O)CCC2)cc1 1789624249 PAXUXMNEODISAE-UHFFFAOYSA-N 477.630 5.190 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ncc[nH]5)cc4)CCC3)cc2)c1 1790258157 MFUJIMDLVJDWAL-UHFFFAOYSA-N 461.525 5.010 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)C[C@@H]4C[C@@H]5CC[C@H]4C5)CCC3)cc2)ccc1F 1790523699 CZRYYZZEWFTWAH-GIVPXCGWSA-N 459.565 5.200 30 20 JKED COc1ccc2nc(C(=O)NC3(c4ccc(NC(=O)c5ccc(CC#N)cc5)cc4)CCC3)ccc2c1 1790707602 MSLCNTAEPYAVNM-UHFFFAOYSA-N 490.563 5.371 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4C[C@H](F)[C@H](C4)N3C(=O)OC(C)(C)C)cc2)CCC1 1791440393 SFMGUZQKFQBPDQ-MHYJACLRSA-N 499.627 5.069 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@H](C)C#N)c5)cc4)CCC3)c2c1 1792123581 JYIGQUOAPAMJTI-LJQANCHMSA-N 492.579 5.865 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)C2 1798334908 PXZURHAUUTXHPV-IYWMVGAKSA-N 459.512 5.207 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)[C@@H]1c1cccnc1 1802495576 LETFFNVVGCSQNI-PGRDOPGGSA-N 457.977 5.186 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1803601620 NNSLQJVEDNKQHX-NYMACZPPSA-N 489.641 5.148 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2ccsc2)[C@H]1c1cccnc1)c1ccccc1 1804667002 BAGHXKCZAFIXDQ-NGRNTZOPSA-N 483.637 5.060 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(-c5ccccc5)on4)C3)CC2)c1 1804733531 YAOWUTMIZUNZMP-OAQYLSRUSA-N 482.584 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1804845778 NKRYFQRKERYPIB-INOCPDNRSA-N 482.628 5.473 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)C1 1804865220 IDKBAKFIAQKIOV-UHFFFAOYSA-N 465.663 5.647 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)cc(C(C)C)c3)CC2)C1 1806028000 TZSCBEOXZCPDMO-IBGZPJMESA-N 491.470 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1806087967 RJPNHYSNXQDXAR-OFNKIYASSA-N 476.646 5.312 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)[C@H]1c1cccnc1)c1ccccc1 1806449482 DMAZAGBASBZNGF-FYYOVZQQSA-N 480.612 5.103 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C2)CC1 1806488275 NJWYBONXRGYFAQ-YSESTWPTSA-N 474.567 5.718 30 20 JKED Cc1cc2cccc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)c2[nH]1 1809275845 PSXFSZRCWDCBHB-OKMGNEIESA-N 491.595 5.132 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810112154 YQZSUKPYIZZDQH-CZTZKLFOSA-N 471.692 5.322 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1810174106 LNJZTWGWFKXJOE-XZDHIHRUSA-N 496.995 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(C)cs2)[C@@H]1c1cccnc1 1810494110 CDDDWGABYVVMNF-ZJSXRUAMSA-N 453.652 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@@H]1c1cccnc1 1810498981 RHCILGCIHDLTML-OCJQLBAASA-N 465.682 5.686 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1811304887 RGPFXJIJGAAYKV-IDISGSTGSA-N 482.609 5.024 30 20 JKED CCCCCc1cccc(CC(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1 1811888345 BAVXCMSEAIQQNS-JDXGNMNLSA-N 494.639 5.248 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1812792304 AUACGCBZEXNWSB-NTPMPWFXSA-N 493.051 5.389 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1812808017 UJMQLMCAKVYHKZ-QIDLSXJSSA-N 488.676 6.025 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2c[nH]c3ccc(F)cc23)[C@H]1c1cccnc1 1812932878 ATHKCJBAPKGZBW-AJTFRIOCSA-N 490.623 5.333 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1813230644 KKXJUJSEZFDSTP-XRKRLSELSA-N 465.597 5.262 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(SC)cc2)[C@H]1c1cccnc1 1813239279 ULXFUWUZTQDLFF-RCZVLFRGSA-N 465.663 5.044 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cn2)[nH]n1 1814440434 RSHMZTSPIUOXFD-HXUWFJFHSA-N 491.558 5.441 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814738370 AJWQUMRIKIAKES-DYESRHJHSA-N 493.658 5.149 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814739113 MDXFVYGCVCNOBN-WFTVZMDTSA-N 497.599 5.018 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(OC)cc2Cl)n[nH]1 1815694824 VCRCTNAPSMZGMB-QFIPXVFZSA-N 471.001 5.075 30 20 JKED CCn1nc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c2ccccc21 1817753228 MRYSNCUXEXGSJA-KOSHJBKYSA-N 495.587 5.026 30 20 JKED Cc1ccc(COCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1C 1818139265 GYIZNBJPMLVXLA-HFZDXXHNSA-N 499.615 5.176 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn3ccc(Cl)cc3n2)n[nH]1 1818784377 IVYIGOQKXWIYCL-LJQANCHMSA-N 468.989 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[nH]n1 1819307829 OMMLKWDOJQETNI-UZUQRXQVSA-N 493.011 5.528 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)[nH]n1 1819309503 VPESNEACCUSTDY-WIYYLYMNSA-N 471.001 5.536 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)[nH]n1 1819311260 SIXWRRFQVNNDLJ-YLJYHZDGSA-N 456.974 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1819556010 OEDDUGGCVBKFJY-GGAORHGYSA-N 486.060 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)n2)n[nH]1 1819750791 AZYOLYALSDTTLW-KRWDZBQOSA-N 463.504 5.122 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)c1 1820232151 KKPXQXSHSHDZON-OAQYLSRUSA-N 491.910 5.440 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)[nH]n2)n[nH]1 1820277259 KKPDXNAZICUVEE-QFIPXVFZSA-N 460.582 5.098 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1cc(F)cc(C(F)(F)F)c1 1821082056 PNOXBZFINHQELG-HNNXBMFYSA-N 492.395 5.216 30 20 JKED CC(C)c1cc(Br)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)c1 1821334213 MZLCCYAFRWNWSH-IBGZPJMESA-N 486.414 5.151 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)n[nH]1 1821787761 IXYNNHMKDDCZBY-NOGZMFEUSA-N 489.664 5.300 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1)C(F)(F)F 1821989532 ZOLGGHRSBYYLHN-GOSISDBHSA-N 484.906 5.033 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(F)cc3)n[nH]2)c1 1822222559 IYJYCERWUQOOMT-MHECFPHRSA-N 473.552 5.115 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1822392440 TUNDKHNKMXDYCJ-NRFANRHFSA-N 469.545 5.056 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H]4CCCc5c4[nH]c4ccc(Cl)cc54)sc3C2)C1 1822780529 ABUNKCRMEBMRMS-FUHWJXTLSA-N 495.048 5.276 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)[nH]n2)c1 1823216075 OIXDKKJRSJTDDC-NIYFSFCBSA-N 497.599 5.445 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1824141966 BEOXRSBDINLIEO-AREMUKBSSA-N 463.622 5.178 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 1824499198 KAZOBWZPIAZRKY-AQHOXQCLSA-N 468.682 5.419 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1824500165 VFAYJCNGEJYQQA-DEOSSOPVSA-N 499.051 5.816 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)o1 1825878605 ZISZIOHKMKWPJV-XMMPIXPASA-N 456.703 5.181 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c(F)c1F 1827684515 DXAWJNAKCOBNQI-SQUSKLHYSA-N 486.584 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)CC1 1828820899 HAUOVAXVHNYCMG-LGTXBLIGSA-N 464.650 5.187 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)ccnc2Cl)CC1 1828903811 HAJMZLUEZDJVAX-NRFANRHFSA-N 492.111 5.159 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nccc3occc23)CC1 1828904853 BOBLRTWSFHMYDM-QHCPKHFHSA-N 479.697 5.112 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)cc2s1 1828906805 ITYPDUOGQZGYKI-DEOSSOPVSA-N 497.781 5.822 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3c(C)cccc23)CC1 1829068594 GNZPDYODCBIESL-JOCHJYFZSA-N 450.627 5.097 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1829231439 SXYOJQZMDXIIOS-QHCPKHFHSA-N 499.442 5.126 30 20 JKED C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1829692547 JCSUJCDOYZNCHK-NBGIEHNGSA-N 478.036 5.639 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)CC2)c1 1830355383 WQJQDWMQRHXCJY-RHHPEKOXSA-N 461.650 5.247 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1830712479 JUFZLCOEYOBRJX-JOCHJYFZSA-N 488.554 5.294 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)c1 1830767620 JVIHDXRMNXPSCR-NDEPHWFRSA-N 498.602 5.548 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1830804968 OEERPDOCACKRTR-FQEVSTJZSA-N 488.497 5.159 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1831446109 DKSCVGFPBLEWOR-LBNVMWSVSA-N 498.614 5.533 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1831599699 YCMUQVOPGMFKKL-HHHXNRCGSA-N 457.618 5.158 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1831928242 HNAQVRVFKWEKAN-FLFAWLEMSA-N 498.614 5.255 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1831946893 APFVMPPVZXDLFB-HXUWFJFHSA-N 483.962 5.071 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1832029513 FQOLUJTZEYYHHD-JOCHJYFZSA-N 480.983 5.368 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3Cc4ccccc4C3)CC2)c1 1832635567 JLALVDBEIPVPRF-ZTOMLWHTSA-N 483.656 5.352 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ncc[nH]4)cc3)CC2)c1 1832635810 SVUQYPGDLDEMFS-KDYSTLNUSA-N 495.627 5.251 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832999414 ZJZCPUBKPVKZEQ-LXFBAYGMSA-N 491.676 5.501 30 20 JKED CC#C[C@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)CCCCC)CC2)CC1)c1ccc(O)cc1 1838758000 IZTNYFSSIMZPEH-ILBGXUMGSA-N 496.692 5.104 30 20 JKED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CCCCCC(C)(C)C)C2)NC(=O)OC(C)(C)C 1846935335 RTVNIQNTMVWDFV-OAQYLSRUSA-N 477.690 5.046 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)CCC2 11171367 YIQRFTDPTUZLCK-UHFFFAOYSA-O 481.616 6.244 30 20 JKED C[C@@H](OC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C#N 11514422 QRFOWUSUPWXSIL-NNNHXZLVSA-N 456.342 5.179 30 20 JKED C=CCN(C(=O)c1ccc(OC(F)F)c(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724040 FNEXWBGINFIDGO-UHFFFAOYSA-N 461.446 5.161 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1ccc(Cl)cc1Cl 14872510 CVZHGTJPRIDHCZ-UHFFFAOYSA-O 486.322 6.230 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C)ccc2F)c1 15965408 ZSOHYXXRYSSPGA-UHFFFAOYSA-N 488.968 5.430 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cc(C)n(-c2nccs2)c1C 22617005 ZYPJVUWNVNGMCI-UHFFFAOYSA-N 483.594 5.021 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1ccc(C)cc1C 22729486 NBZBHSCMEVMJRQ-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2cc(C)cc(C)c2)cc1 22730188 DMECTPVBHIYKOI-UHFFFAOYSA-O 468.440 5.967 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22802028 QDVOPNDQXMYGFK-UHFFFAOYSA-O 489.705 5.977 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 23561421 BMAXZKHKQOWCLA-UHFFFAOYSA-N 474.611 5.796 30 20 JKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1SC[C@H](C#N)CCC#N 24093994 AOOBRSIAVLYYOD-NRFANRHFSA-N 495.608 6.058 30 20 JKED C[C@@H](c1ccccc1)n1c(SC[C@@H](C#N)CCC#N)nc2ccc(Br)cc2c1=O 24097064 UVWCKNHMJJWYTB-JKSUJKDBSA-N 467.392 5.304 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc(C(C)(C)C)cc2)c1 28793365 IOANCZWMGCHMKL-UHFFFAOYSA-O 478.638 5.479 30 20 JKED COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1C 29489916 IXHMKJVVSXRDKW-UHFFFAOYSA-N 497.576 5.595 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nc2sccc2c1=O 36805864 GPMLVYMCTOEGPR-QGZVFWFLSA-N 461.612 5.030 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCC(C)C)C2CC2)c1 105826893 NTBDREACLKDWGY-UHFFFAOYSA-N 461.027 5.372 30 20 JKED C[C@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)N(CCC#N)c1ccccc1 109622506 ABQFMDMWMDAIBB-KRWDZBQOSA-N 458.509 5.540 30 20 JKED Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 303012912 NCVNGLAVVWEHEO-UHFFFAOYSA-N 481.577 5.895 30 20 JKED Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c12 303128911 BNPUSEUSZXQJBK-UHFFFAOYSA-N 458.905 5.765 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 303303114 OXTMRURYBNHTIH-UHFFFAOYSA-N 461.637 6.847 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 480817092 OIDROESEYDNRBX-HSZRJFAPSA-N 486.538 5.108 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2F)c1 481570968 ITWYNENXDNLTLN-UHFFFAOYSA-N 497.530 5.031 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 485799081 HCGOKQCFGSHINW-GOSISDBHSA-N 495.501 5.509 30 20 JKED COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc(OC)c1OC 489483479 PVPSUIDVKKIAID-QNGOZBTKSA-N 497.595 5.513 30 20 JKED CSc1nc(C2CC2)cc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)c1C#N 491686760 VNCFREYEMAFPRE-UHFFFAOYSA-N 477.609 5.567 30 20 JKED C=CCc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc(OC)c1OC 497323086 QHERYVFOKCIAEK-UHSQPCAPSA-N 498.623 5.229 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc(OC)c1OC 497735406 MJICDHYWKPSDKQ-UHFFFAOYSA-N 475.545 5.015 30 20 JKED CCOc1c(Br)cc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1OC 500995537 IHRZNZMCZZAKOQ-UHFFFAOYSA-N 455.308 5.168 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1OC1CCCC1 502612333 RRYZGTWBPXDUDH-UHFFFAOYSA-N 459.340 5.058 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)n2)cc1 505624110 YDPCLZNPAVTKKI-UHFFFAOYSA-N 484.512 5.379 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(C(F)(F)F)cn1 513177331 WEKJCSRRLNEXJN-INIZCTEOSA-N 451.326 5.797 30 20 JKED Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)CCCC2)c1 514498613 FTVFWHPERNWMLT-UHFFFAOYSA-N 489.597 5.396 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 515157505 VGMNSGWAYNOQOT-UHFFFAOYSA-N 457.465 5.205 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1nc(-c2ccncc2)cs1 516767662 LFSUCIZNGBETHO-SFHVURJKSA-N 480.343 5.630 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cccc(F)c2)cc1Cl 517296225 GNMUNRQAQBKPJK-UPVQGACJSA-N 461.924 5.437 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1NC(=O)c1ccccc1F 517800932 QPBKIIUJEHCPHZ-NRFANRHFSA-N 480.524 5.872 30 20 JKED C[C@@H]1CN([C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c2c(F)cccc2Cl)CCO1 518256442 WIYXRSKVTXTMQB-CBGDNZLLSA-N 491.032 5.457 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 518602541 COTBWQHGDSCCJL-HNNXBMFYSA-N 462.662 5.192 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 519913577 GNTHQBGGBFXKBJ-UHFFFAOYSA-N 478.390 6.148 30 20 JKED CCc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccc(F)cc1 519941519 FUYNPSITBDUFPW-OAHLLOKOSA-N 452.461 5.466 30 20 JKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c1 520292533 OAZZHTNEACFVEK-OFVILXPXSA-N 469.976 6.549 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 520815067 VLLIPARDISTRRC-CQSZACIVSA-N 455.634 5.467 30 20 JKED N#C[C@@H](NC(=O)CCc1nc(-c2cc(Br)cs2)no1)c1cccc(Cl)c1Cl 520889542 LUMLFJQSOJFSQK-GFCCVEGCSA-N 486.178 5.181 30 20 JKED N#C[C@H](C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc2cc(Cl)ccc2s1 557494414 ISYZDOSKOWPSQN-LJQANCHMSA-N 466.971 5.414 30 20 JKED O=C(NCCc1coc(-c2ccc(F)cc2)n1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588279894 KQUYNQKECGRYKP-VIKVFOODSA-N 467.385 5.232 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cnccn2)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 589286784 ACTOORQGKCSOPC-UHFFFAOYSA-N 495.633 6.152 30 20 JKED N#C[C@H](C(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)c1nc2ccccc2n1C(F)F 596533312 IEUOCBIARGSEEO-GOSISDBHSA-N 454.436 6.243 30 20 JKED CCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)C(C)C)cc1 603704643 OBQDZCWQEAGAJS-DEOSSOPVSA-N 456.546 5.068 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1Cl 603758699 BNAWBALXRIKKEU-QHCPKHFHSA-N 473.960 5.678 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603828380 XTRPEWNARDWDQH-UHFFFAOYSA-N 453.464 6.014 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 608812192 DHWJHRLVIYVRIW-UHFFFAOYSA-N 483.490 5.143 30 20 JKED N#Cc1ccc(N2CCC(Nc3ncnc4scc(-c5ccc(Br)cc5)c34)CC2)nc1 608975066 YCCWAFZCONIHCE-UHFFFAOYSA-N 491.418 5.468 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 609078154 DHTJLOBHCIIUAQ-UHFFFAOYSA-N 469.463 6.008 30 20 JKED N#Cc1ccc(CNC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)c(F)c1 609327280 FYZFFOAYBZHQJY-NRFANRHFSA-N 457.274 5.035 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 609377865 HUSCCCDSQNOIJA-MRXNPFEDSA-N 486.435 5.192 30 20 JKED CC(C)(C)n1cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(-c2ccccc2Cl)n1 609379172 MIHSLDWGKBWGOX-HSZRJFAPSA-N 479.987 5.120 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1 609427466 AMLIURODRGYLQJ-LJQANCHMSA-N 464.612 5.616 30 20 JKED COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1 609427871 YZSOOPMFGKQBDQ-GOSISDBHSA-N 495.626 5.167 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 609428259 HWVGNOHNUPMWGX-OAHLLOKOSA-N 468.376 6.283 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 609435184 WOEYZVKBUZRBDB-LJQANCHMSA-N 458.562 6.326 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)nnc1-c1ccc(Cl)cc1 617894486 FXZSITAQTVMUFS-GOEBONIOSA-N 458.937 5.114 30 20 JKED Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 619349846 BXYXAEZGXZZTGY-PHIMTYICSA-N 452.317 5.531 30 20 JKED O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623851196 AZZJDKSPSUOPDF-FOLVSLTJSA-N 479.396 5.722 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc3ccccc3n2)nnc1-c1ccc(Cl)cc1Cl 642368054 SOVODVQICHKCON-UHFFFAOYSA-N 484.412 5.395 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC(C)C)cc1 726415357 KAVCPLHJLBYHRU-LJQANCHMSA-N 490.412 5.374 30 20 JKED N#Cc1ccc(NC(=S)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cc1Cl 726446303 XQODQWAYQSZGRL-QPJJXVBHSA-N 461.974 5.900 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)N[C@H](C)c2cccs2)cc1 726581909 ZFIZRRHCOPKTPT-OAHLLOKOSA-O 454.641 5.154 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)s2)cc1 726912472 ZZFWERDPFIYLDJ-FQEVSTJZSA-N 450.589 5.341 30 20 JKED CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc3c(c2)OCCCO3)cc1 727419425 WKGWCQHODBGRMN-UHFFFAOYSA-O 492.621 5.015 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 728061820 ADZXSSYTTRSUPS-QGZVFWFLSA-N 455.474 5.577 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc2Cl)c1 728121192 BRULOPYACAZHKJ-SANMLTNESA-N 475.976 5.768 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cccs3)C2=O)cc1 728424666 GDNCAQPPAPSGPQ-HXUWFJFHSA-N 482.537 5.058 30 20 JKED N#Cc1cccc(OC2CCN(Cn3nc(-c4ccco4)n(Cc4ccccc4)c3=S)CC2)c1 729472560 QAHOZVKVLKFVCQ-UHFFFAOYSA-N 471.586 5.095 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 729532111 YGRWYSFSACRLLK-CYBMUJFWSA-N 485.656 5.495 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c1 729633905 HJNCHQVYMQXJMB-QHCPKHFHSA-N 494.567 5.446 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730716205 VFOSZLUIULKGRM-HXUWFJFHSA-N 486.956 5.244 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730719682 HVFXQDBFDFFOMT-GOSISDBHSA-N 475.357 5.142 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3/Cc4ccc(C)cc4C3=O)cc2OC)cc1 730949117 SJOSZFVCWASJFK-STZFKDTASA-N 457.526 5.242 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccco2)c1 731312908 QTSOGWJMFIOSTE-QFIPXVFZSA-N 463.559 5.269 30 20 JKED C=CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)SC1=S 745998149 IBDUKTKVOOOTAM-OQLLNIDSSA-N 469.535 5.234 30 20 JKED COc1ccc(-c2nn(CN(C)C[C@@H](C)C#N)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 746705876 CWMFYYJRIOYVNL-HNNXBMFYSA-N 461.513 5.147 30 20 JKED CC(C)OCCCn1c(NN=C2CCCc3nc(-c4ccccc4)sc32)nc2ccccc2c1=O 747043401 YZGNYRBDOPROJE-UHFFFAOYSA-N 487.629 5.488 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCc3nccs3)C2=O)c1 747598390 AXNSEWQBGPHZPV-FQEVSTJZSA-N 499.061 5.616 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cscn1 747602205 JWNCZJFGURKDHM-HXUWFJFHSA-N 468.579 5.005 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1=S 747804848 UOHAGLZBNKTMDA-PXDATVDWSA-N 482.625 5.375 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1Cl 748480918 BAIIPQIERPFGEY-HNNXBMFYSA-N 476.751 5.312 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)c1 748481046 CXGXFTJIJWDERZ-KRWDZBQOSA-N 486.881 5.303 30 20 JKED N#C[C@H](C(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1nc(-c2ccccc2)cs1 807679759 JIMIVXSUODHZSG-GOSISDBHSA-N 484.631 6.450 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(C3CCN(C4CC4)CC3)C2=O)cc1 837300382 VFOXIJNDYIMUIU-VWLOTQADSA-N 490.673 5.199 30 20 JKED CC(=O)Nc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)cc1 873982475 MWNLMJHRYGRWCQ-DEOSSOPVSA-N 486.597 5.114 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)c2)c1 912771729 BXYMILBQIKJVTP-QHCPKHFHSA-N 477.561 5.303 30 20 JKED CSc1ccc([C@H](CNC(=O)Nc2cccc(OCC#N)c2)N2CCc3sccc3C2)cc1 915711180 YVWJEKDZYRILTA-QHCPKHFHSA-N 478.643 5.293 30 20 JKED CCCN1C/C(=C/c2csc(-c3ccccn3)n2)C(=O)/C(=C\c2csc(-c3ccccn3)n2)C1 915982710 YQTXIJDTWHAGHG-BKHHGCLFSA-N 485.638 5.485 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C)cc1 916216049 NYPXZLQIEFREIB-QHCPKHFHSA-N 477.561 5.303 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccccn2)C1=O)Nc1ccccc1 916217037 CHDAZQMNTPKPPI-XMMPIXPASA-N 466.566 5.395 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc2ccccc12 916217669 UMUAFKXMLMGQFK-QHCPKHFHSA-N 457.555 5.189 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)nc2ccccc21 916845163 PCCCNSCMXCQVDI-AUSIDOKSSA-N 460.331 5.332 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1 916911673 XMJUDDDRYJCZFR-KRWDZBQOSA-N 455.297 5.512 30 20 JKED Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043319 KMGRYHOPJKQZGZ-HKUYNNGSSA-N 473.520 5.645 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 917119873 ZFIFUZAYDZSLBI-JTHBVZDNSA-N 452.583 5.807 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cs1 917562228 WQNZMLUHLJWYSF-BJMVGYQFSA-N 465.789 6.992 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(C[C@H]3CCCO3)C2=O)cc1 917701105 RUGLVUREZKBHHE-DNQXCXABSA-N 473.598 5.288 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1cccc(C)c1NC(=O)c1ccccc1F 919644331 XLEIACLEDKMWKJ-UHFFFAOYSA-N 478.545 5.460 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc(-c2ccc(Cl)cc2)cs1 920110571 OCJLKJQFXGLZMV-JKSUJKDBSA-N 490.799 6.000 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1 920110690 GGICOKTVDHQYQU-ZDUSSCGKSA-N 470.790 5.722 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2c(C)c(C)sc2n1 920140617 IVIGOEIFQJTXFX-KRWDZBQOSA-N 475.624 5.580 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3c(C)noc3C)C2=O)c1 920357679 ZIAYCTXJUVNAOX-JOCHJYFZSA-N 497.020 5.722 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)n1 921249407 HBZCATJQAPVPSD-ZIBIDDQLSA-N 483.549 5.503 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)C[C@@H]21 1783541336 VQJVPSSRGROLPI-VJBMBRPKSA-N 499.051 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC(F)(F)C4)cc3)CCC2)c1 1785803716 WRNCPQRCMNZGPV-XLIONFOSSA-N 451.517 5.497 30 20 JKED CC(C)(C)OC(=O)NCCCCCCCCC(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1786077969 AGYWKJCASCUWRB-UHFFFAOYSA-N 498.668 5.680 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)cc2)CCC1 1786308504 HJFSZHYMARDJBN-VWLOTQADSA-N 489.616 5.108 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)nc1C 1787172524 DLGQFZQQDDROJQ-UHFFFAOYSA-N 482.584 5.419 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C)s3)cc2)CCC1 1788866430 SYMKPSYZWBPIMA-FQEVSTJZSA-N 498.649 5.059 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cccc4c3CCCC4)CCC2)cc1 1789579671 SVZKRXVMORMSNO-RDRPBHBLSA-N 455.558 5.025 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)nn3C)cc2)CCC1 1789841608 CSWMKYBZNAIAHD-GOSISDBHSA-N 493.007 5.079 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4[nH]cc5c4CCC5)cc3)CCC2)c1 1790007168 RLDSYSIWOHQETO-SFHVURJKSA-N 452.558 5.192 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccccc4Oc4ccccc4)cc3)CCC2)CC1 1790228992 JNNIJLCBDWGIHC-UHFFFAOYSA-N 451.526 5.530 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1 1790472604 LXGXOIBPINHNIE-ZJSXRUAMSA-N 493.648 5.174 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1 1790519454 CIQGHXUPOTWRMV-OFNKIYASSA-N 481.637 5.336 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)cc1 1790761923 KIJREGZMGUQGND-BJKOFHAPSA-N 483.543 5.257 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)Cc3ccc(F)cc3F)cc2)CCC1 1791375393 AZSBGOAYEKEYSV-ZHACJKMWSA-N 480.536 5.142 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3csc(C)n3)CCC2)cc1)c1ccc(O)cc1 1791641681 FGMJOXGSZCQECI-NRFANRHFSA-N 487.625 5.031 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c(C#N)c1 1792127408 XZJDRDFDAQYPBY-HXUWFJFHSA-N 492.579 5.184 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3)CCC2)cc1 1792331378 RRUPJZAMSBXRAG-JOCHJYFZSA-N 496.007 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc([C@H](C)C(F)(F)F)cc1)C2 1798337855 JPSMSVBFVDPZIY-CZIXKKEKSA-N 462.556 5.302 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(F)cc1)C2 1798420722 PXYWSMANHBSGAW-BKFWDETESA-N 491.683 5.191 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1c[nH]c3ccc(OC)cc13)C2)c1ccccc1 1798557074 VIEYPKXZPWXFJD-JSYJOVFHSA-N 495.623 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(Cl)cc3)no1)C2 1798593160 XQSGDRKZTABOKF-ACDBMABISA-N 455.986 5.239 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2oc(-c3ccccc3)cc2[nH]1 1801079188 KMFVOTCKNYFHIW-LRSLUSHPSA-N 457.574 5.448 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1802495453 FFCJIYNOTITVSW-NZQKXSOJSA-N 476.646 5.312 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803227510 GUPUDYZFVFWKAK-ACIOBRDBSA-N 489.994 5.392 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[C@H]1c1cccnc1 1803455889 KAMNFLHIMPIIJE-OYFGVDPJSA-N 499.561 5.013 30 20 JKED CC(C)n1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)c(C(F)(F)F)c1 1803679921 VPMKLAVXTZJYHQ-RZXSNQJFSA-N 486.538 5.280 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(F)cc2Cl)[C@@H]1c1cccnc1 1804065624 XIDYLDMQXKEJAU-YKSBVNFPSA-N 472.004 5.115 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(Cl)cc4C(F)(F)F)CC3)C2)C1 1804789301 SCNSEYCHWJUOPN-UHFFFAOYSA-N 454.920 5.170 30 20 JKED CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1ccccc1 1806272481 RVLQDRZFFPWONO-UNCTUWKVSA-N 489.736 5.332 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)Cc3ccc4ncccc4c3)C2)CC1)c1ccccc1 1806393059 YINWQDIDWKBXAU-MUUNZHRXSA-N 493.651 5.206 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1809188602 GAHABVHDGNXBQT-CYFREDJKSA-N 479.024 5.528 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1810183259 UKTKJKYXDPFXOQ-FBLLAGFSSA-N 480.678 5.359 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810243816 QMDIOAFKGUQZFD-NFYPFPQSSA-N 475.658 5.470 30 20 JKED N#CCC(=O)N1CC[C@H](CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1811403208 LBGATUXNOPFLFC-PXDATVDWSA-N 498.549 5.381 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811418843 BICJGAWQZKYBHT-NVQXNPDNSA-N 495.067 5.923 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1811695426 QJDCBVMXSVTSGH-GCJKJVERSA-N 488.415 5.182 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 1811936170 MNVUMQURIMOUED-YGWZTVPSSA-N 490.563 5.041 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCCC)cc2)[C@H]1c1cccnc1 1812019482 CXAXIFHLXURSPE-ILBGXUMGSA-N 463.622 5.182 30 20 JKED Cc1cc2cc(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)ccc2[nH]1 1812278452 YCWIEKWKPDKQGH-QFQXNSOFSA-N 497.986 5.030 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812667892 FREHTLCVNCDGMH-OQBDSEHNSA-N 493.476 5.031 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)[nH]n1 1814443339 TVNBYGAVUYJBTE-QGZVFWFLSA-N 466.504 5.628 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)[nH]n1 1814827525 RJAQXBVSAWAQGN-QHCPKHFHSA-N 494.546 5.152 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccccc3F)CC2)[nH]n1 1814830722 FMJVSTFHSBHMBU-QFIPXVFZSA-N 450.558 5.041 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)n[nH]1 1818162187 SAPLYXZOABUBTN-FQEVSTJZSA-N 492.649 5.535 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)cc12 1819056315 HRMDHHDGHNVLBA-BVZFJXPGSA-N 480.572 5.446 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[nH]n1 1819308766 AURRYGLWTLMWAG-HXSOTZQLSA-N 487.604 5.374 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)[nH]n1 1819309444 VLTOEGRMHIPLQO-XXBNENTESA-N 488.588 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)[nH]n1 1819556756 LYNQDPSXVYHGJZ-IBGZPJMESA-N 458.990 5.370 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C)oc1C(F)(F)F)CC2 1819595798 BBDMXWRYXHAFTB-UONOGXRCSA-N 467.513 5.058 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)no2)n[nH]1 1819795737 FXIUPMLJEGNBTA-OAQYLSRUSA-N 461.566 5.363 30 20 JKED Cc1cc(C)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1820545649 LPDXJWTWOXAHKH-YADARESESA-N 455.562 5.273 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)c1 1821507579 JBCGVXZTYHASMB-KSFYIVLOSA-N 499.596 5.577 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1)C(F)(F)F 1821523811 FJGCUXBGFXRELY-LJQANCHMSA-N 497.477 5.575 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)ccc2[nH]1 1821586971 ZHNHJRPOEZFRDZ-NSYGIPOTSA-N 480.572 5.446 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cc(Br)ccc3Cl)n[nH]2)C1 1821870166 NGQRFXFWOGEAPV-IBGZPJMESA-N 491.817 5.027 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1)C(F)(F)F 1821991956 NKTXSPFIZOBPLU-MRXNPFEDSA-N 491.436 5.235 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823213048 POAOYJGLKYCZBA-HXOBKFHXSA-N 475.980 5.618 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)c1 1823218168 PLRYXVVGJOLYJI-OPAMFIHVSA-N 495.505 5.675 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ccoc34)[nH]n2)cc1C#N 1823292547 NQHARNMMGKNJIH-HSZRJFAPSA-N 497.555 5.434 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)cc1 1823685414 WTIAHKGXURUCRX-RUZDIDTESA-N 481.999 5.217 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 1823701513 LUAOVAHYKIQKBB-NRFANRHFSA-N 468.947 5.558 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1823947924 OOPGHJZPHHIDCQ-AREMUKBSSA-N 494.035 5.223 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1824053160 HQDDBKVLWBFDJU-MHZLTWQESA-N 486.591 5.045 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)c1 1824539011 KVFNFWBKVIDWMU-RSXGOPAZSA-N 479.690 5.245 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)CC1 1825000977 WDXPBFZHHXEDSB-ILBGXUMGSA-N 473.057 5.279 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccsc2)CC1)c1ccc(O)cc1 1827104853 HWXJLXYQMZYLET-XNMGPUDCSA-N 492.685 5.203 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)c2[nH]1 1828215683 WKLWUDKLSMFIKH-RUZDIDTESA-N 472.564 5.034 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1828885676 FWSPJTSELVOXSF-NZQKXSOJSA-N 489.081 5.361 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c(F)cccc3F)CC2)c1 1830081255 XKDHMXBJZJALEQ-BCHFMIIMSA-N 479.571 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3F)CC2)c1 1830083909 BAVFRSTWUSDHPJ-KOSHJBKYSA-N 465.544 5.139 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1830450185 UXGGGTPHBSPJLZ-IXCJQBJRSA-N 478.583 5.531 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830654521 GBRABXHGRVOLIO-PXGAOIJESA-N 494.394 5.078 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)c1 1830678936 CYLKHEONCHWCBK-RBTNQOKQSA-N 495.627 5.251 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3F)CC2)ccc1Br 1830687432 VHTFQYFWMUAWAA-HSZRJFAPSA-N 498.396 5.007 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c[nH]1 1830720475 NKDGAQPLBXGBSQ-QHCPKHFHSA-N 481.040 5.384 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1830721333 BWXFCZKTBTYNID-ZJSXRUAMSA-N 454.014 5.191 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)CC1 1830804750 VWQJKKPEZGTETA-IBGZPJMESA-N 458.908 5.048 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831237009 CQRMLTHCJVOVKU-GBXCKJPGSA-N 476.583 5.318 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1831370498 LEOLQNFKMDCNAK-MALQFLDISA-N 463.666 5.196 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1831372701 HQEGRBWPSCALIC-HTAPYJJXSA-N 486.454 5.376 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1831376091 JWASQAMRHAEEOK-IIBYNOLFSA-N 454.508 5.290 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831445916 MNYYIXFASOEVKM-OAQYLSRUSA-N 490.978 6.045 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1831858585 YECQGWUTBLYFML-RUZDIDTESA-N 480.052 5.576 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c(Cl)cc2F)CC1 1831859194 HCRAUMGPAYFLEH-IBGZPJMESA-N 471.798 5.051 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)CC1 1832560622 WJJHHQXAFKKVFC-RUZDIDTESA-N 450.623 5.013 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c1 1832632541 SRXMARQGVHJDOW-DFBJGRDBSA-N 486.641 5.470 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1 1832634836 PDWNKGBNXOXAON-WZONZLPQSA-N 498.549 5.275 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1832690860 RJKPIWQTYYTYCS-QHCPKHFHSA-N 485.962 5.231 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1C#N 1832703665 OQDCBHWPWAGLDT-VWLOTQADSA-N 499.611 5.639 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)CC2)C1 1832710562 PFTKTFPZRYOEKB-OAQYLSRUSA-N 452.492 5.044 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3F)CC2)CC1 1833079883 IFUACZOLZBQWKT-UHFFFAOYSA-N 497.577 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)CC1 1836697580 MMPJURVSYBGKMC-XMMPIXPASA-N 485.068 5.137 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1844253068 PRLRTHMJRIZHIG-UHFFFAOYSA-N 497.715 5.474 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2)c1ccccc1 1844336839 OQBLYQKUUXPHAW-XMMPIXPASA-N 491.591 5.442 30 20 JKED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccnc2-c2ccc4ccccc4c2)C3)cc1 1845411783 LTWXWNMAPBXMTI-UHFFFAOYSA-N 486.575 5.099 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10172424 CIYWHBHDWVZHMQ-UHFFFAOYSA-O 493.652 6.868 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc3c(c2)CCCC3)c(C)n1C 10172809 YLUPKYRABLKPQJ-UHFFFAOYSA-O 484.592 5.461 30 20 JKED CC1CCN(c2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2[N+](=O)[O-])CC1 14621514 BDWMAKGEWFAOCM-UHFFFAOYSA-N 494.602 5.099 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1cccc(C)c1 16862954 YPHHNPDKUJYJDH-AWEZNQCLSA-N 480.943 6.231 30 20 JKED C=CCN(C(=O)CSc1nnc2ccccn12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18474272 OGPKWKGUVRONKF-UHFFFAOYSA-N 476.414 5.471 30 20 JKED C=CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccc(Br)cc1 19849360 MXCMZNKOPKKNKL-UHFFFAOYSA-N 454.802 5.584 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)cc1 22690274 VMECXMZBWQQOMI-UHFFFAOYSA-O 475.562 5.444 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22692947 YVQRVBWYYGMKGS-UHFFFAOYSA-O 473.662 5.714 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 22728344 DYHXXHSQUSXWCO-UHFFFAOYSA-O 467.614 5.933 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 22729638 GVRLYPXBVRENLM-UHFFFAOYSA-O 492.089 6.948 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29956856 QBPXSCUYSSNWOF-OYHNWAKOSA-N 464.447 5.126 30 20 JKED COc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OCc1ccncc1 32665518 AAHNYQDNXPDJEU-UHFFFAOYSA-N 465.509 5.372 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(Cc3cccs3)n2C2CC2)sc2c1CCCC2 45699036 KDLZGKCZODXMSL-UHFFFAOYSA-N 469.661 5.198 30 20 JKED Cc1ccc(CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@@H]2CCc3ccccc32)cc1 59352280 QYBCDYYUMRMJKK-HHHXNRCGSA-N 463.585 5.175 30 20 JKED C=CCN(C(=O)CCn1c(C)csc1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 71832458 NMUTUHXLJXTXAA-UHFFFAOYSA-N 454.404 5.258 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 105919007 QSEPYAJMSDYXSI-UHFFFAOYSA-N 452.561 5.435 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccnn2CCC)c1 106224400 SNTLWYGZYSGZEZ-UHFFFAOYSA-N 493.416 5.234 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 195664184 IZYKODDNDWBUKI-OAHLLOKOSA-N 457.939 5.923 30 20 JKED C=CCn1c(S[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccccc1F 219005770 BKZJTIMZRFYBKC-IRLDBZIGSA-N 466.582 5.027 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2Cl)c1 303203889 OWKDUPUNZKCXIP-UHFFFAOYSA-N 473.960 5.917 30 20 JKED Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1NC(=O)c1ccccc1F 303302047 CZAGTGAFIDWSNS-UHFFFAOYSA-N 465.484 6.303 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cc2F)c1 481600108 VJSVMHAXYRFUEZ-UHFFFAOYSA-N 466.516 6.079 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cccnc1SCc1cccc(Br)c1 494156615 LUWMDQWGYLNOEH-UHFFFAOYSA-N 454.349 5.269 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 495273336 XGSGATJCRIZAKS-UHFFFAOYSA-N 469.353 6.128 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N(C)C)c2)nc2sc(-c3ccccc3)c(C)c2c1=O 497668642 UYTMKUIHNZKFLH-UHFFFAOYSA-N 475.639 5.614 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 501481532 SJSVWVATOFPTRC-UHFFFAOYSA-N 491.570 5.016 30 20 JKED C=CCN(C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1nc(C(=O)OCC)cs1 501952269 WLPDMVYBOKFKOS-UHFFFAOYSA-N 456.951 5.385 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 502514718 VNGGXNHIAOSOMW-QGZVFWFLSA-N 486.012 6.181 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 502905408 QKUUOMQOGJKXLS-UHFFFAOYSA-N 498.452 5.445 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)cc1 505709985 ZTRYLYBGRZCRGU-LJQANCHMSA-N 458.514 5.287 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 507770887 MMCRKQJMOAOSNO-UHFFFAOYSA-N 482.590 5.970 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cc(C#N)ccc1OC(C)C 507785093 QSUZDFNMJCIDMG-UHFFFAOYSA-N 453.930 5.493 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 508294775 ZCUXSIHWTIRBOD-JOCHJYFZSA-N 471.513 5.499 30 20 JKED Cc1cccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)N2CCOCC2)c1 510734933 WGKFWRDKXRXULI-HHHXNRCGSA-N 470.573 5.162 30 20 JKED C=CCn1c(Sc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)nnc1-c1ccncc1 514731909 PLEDORXORKTFMH-UHFFFAOYSA-N 483.626 5.623 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc12 516332294 NMWBVUTYVNJISQ-GOSISDBHSA-N 459.531 5.543 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1 517874666 GNQHMURWNBMCAA-UHFFFAOYSA-N 469.541 6.107 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 518515489 QRSQMVCOFOKXSF-HSZRJFAPSA-N 493.544 5.105 30 20 JKED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 518672130 VGEIJCQAWSYZIH-HXUWFJFHSA-N 486.330 5.051 30 20 JKED Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccccc3SC[C@H](C)C#N)CCCC2)c1 519434307 UPJSAMCJLCZJJP-GOSISDBHSA-N 456.633 5.280 30 20 JKED COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 520929421 ZDGJERMJBJOAQU-KRWDZBQOSA-N 481.599 5.143 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 521677031 AWZCOSJRHHTQNO-UHFFFAOYSA-N 487.412 5.130 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C(F)(F)F)c1 553337814 WAXADBSLUPNZLK-JXFKEZNVSA-N 477.552 5.942 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)cc1 560165687 ITABMPXBOJGPDR-UHFFFAOYSA-N 488.975 5.089 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)o2)cc1 590235257 VUSLHGSWCMWJNZ-UHFFFAOYSA-N 450.494 6.161 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)CC1 597254187 NRDPIUCRFXPMDK-JXHCQPQMSA-N 495.052 5.394 30 20 JKED CCN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 603530518 XLLXRQNKSZTPPZ-UQBPGWFLSA-N 459.977 5.683 30 20 JKED C[C@@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 603818633 VUCBFKORQCWIQZ-GFCCVEGCSA-N 468.922 5.383 30 20 JKED CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)o1 603912502 ADSKIFTUGIMOBV-GOSISDBHSA-N 471.586 5.361 30 20 JKED N#Cc1cccc(NC(=O)CNc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c1 604007903 QWHBWXKQLKNGEU-UHFFFAOYSA-N 456.399 5.019 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)cc1 604096871 DHAFZDVEEYAYMF-UHFFFAOYSA-N 483.410 5.001 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cn2)cc1 604288622 IWYQVNJDYVBBHH-ZIAGYGMSSA-N 458.362 5.340 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609073657 QBYJCRHDELHRSB-HNNXBMFYSA-N 468.340 5.201 30 20 JKED CCN(Cc1c(F)cccc1F)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609089663 RHSUBJGXBQJOBM-UHFFFAOYSA-N 483.902 5.056 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(C(=O)c4cccc5ccccc45)CC3)c2)cc1 609209803 NPDRJXZGNDAKMT-UHFFFAOYSA-N 476.536 5.494 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 609378636 UURNVVXODFANPR-UHFFFAOYSA-N 464.469 5.472 30 20 JKED COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 609430689 SIKRAUMPGXRXQA-GOSISDBHSA-N 495.626 5.451 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 609437078 ONVTYEHULBFYBX-KUHUBIRLSA-N 477.417 6.023 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccccc2CN2CCCCC2)c1 609547294 CYRHZMXSZQXKDK-UHFFFAOYSA-N 498.652 5.205 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(OCc4cn5ccccc5n4)cc3)s2)cc1 610420891 QFJCWMPVIPMOCJ-UHFFFAOYSA-N 498.593 5.181 30 20 JKED CCCOc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 617127383 QXOCJXINYKSGIQ-UHFFFAOYSA-N 455.514 5.201 30 20 JKED C=CCOc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)c1 619109951 BNKFOFSATJKDAE-VWLOTQADSA-N 473.960 5.366 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642175444 ZNYFIFWOODMONQ-STQMWFEESA-N 451.386 5.268 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@@H](C)c2ccccn2)cn1 726110760 IHUKTYUTOHISAR-MHECFPHRSA-N 498.612 5.173 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)CCc2ccco2)cn1 726116971 OUIRECSIHFBHOL-CVDCTZTESA-N 493.633 5.094 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1F 726393179 MZEIRZDKMPKFPP-DJJJIMSYSA-N 481.952 5.004 30 20 JKED COc1ccc(N2CCC(NC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 726694434 BPVIBMRKLGFJSC-VWLOTQADSA-N 474.992 5.795 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)cc1Cl 726888670 BBGNFGFTWCYCSY-QFIPXVFZSA-N 498.004 5.719 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 727620831 NAGJXINBNOWILQ-URXFXBBRSA-N 494.378 5.187 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(N4CCCC4)cc3)cc2Cl)c1 728051751 HTEGGPXRXMUOED-UHFFFAOYSA-N 460.965 5.441 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)cc1Cl 728776863 CBWBAMATDDBVQP-FQEVSTJZSA-N 488.972 5.142 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@H](c2ccccc2)C2CCC2)C1=O 729143810 RDRMPCJTBQAKMU-PZJWPPBQSA-N 459.974 5.088 30 20 JKED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729888300 JRQHFVDBILDFNF-LLVKDONJSA-N 481.744 5.594 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1F 730503220 NZHRMSHNTCXRMC-GOSISDBHSA-N 497.564 5.137 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2C2CCCC2)c1 730530491 SFHPIRCZCYEUAJ-QHCPKHFHSA-N 481.618 5.169 30 20 JKED O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1sccc1SC(F)F 730590174 ZYJNRPREEMPVLG-CQSZACIVSA-N 465.387 5.262 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1Cc1cocn1 730719091 WUEPSMFITQKCBT-OAQYLSRUSA-N 482.993 5.359 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731061426 CGCRAVDYFDNEBV-AWEZNQCLSA-N 486.018 5.819 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 731069074 DKPRBFOHXBINEQ-QZTJIDSGSA-N 494.642 5.089 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2)c(N)c1 731080523 OGQSKTCSGDDQQA-INIZCTEOSA-N 495.988 5.762 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)s2)cc1 731305999 RBLVDYNNKUFYKK-JOCHJYFZSA-N 495.626 5.321 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(Cl)cc1 731309969 YNWJNRLAPOAZMV-QFIPXVFZSA-N 495.988 5.215 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731313165 UBRAPNLCVBFXDP-AVRWGWEMSA-N 496.592 5.662 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cscn2)cc1 747601266 URECCHJMKABEQV-QHCPKHFHSA-N 486.622 5.765 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1ccccc1OCc1cn2ccccc2n1)CCCCC3 748580151 YXEXPSKNLQLIAF-UHFFFAOYSA-N 483.597 5.144 30 20 JKED O=C(/C=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 748584261 NMFJZVYGVHKXQS-VZUCSPMQSA-N 464.861 5.893 30 20 JKED CCOc1cc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C 750917340 SLHQEXMXXNOPTE-BRFSQIRFSA-N 475.557 5.468 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)s2)c1 807914108 CLCJCHSXVMFZCB-KRWDZBQOSA-N 463.613 5.682 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1 812307594 GSKLITFJNCTQFG-UHFFFAOYSA-N 493.636 6.478 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2)cn1 837519651 AIDQBPKKOBFTBN-OAQYLSRUSA-N 495.004 5.213 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 837775336 WPRWVYHHGLQABJ-QKKBWIMNSA-N 484.503 5.220 30 20 JKED O=C1CC[C@H](c2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)CN1CC1CCCC1 856566734 PYPHEAFUCDXHAJ-HNNXBMFYSA-N 493.423 5.922 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)NCc1cccs1 912837871 ZSUPBMQLJQXESO-UHFFFAOYSA-O 466.652 5.005 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694074 CJPULZJGYHBXBF-GAJHUEQPSA-N 495.576 5.409 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(F)c2)cc1 914772590 FYGTZTFYFJKWHX-QFIPXVFZSA-N 481.524 5.134 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CC3CCC3)C2=O)c(OC)c1 915116197 DMQDRWHTYJBYRR-NRFANRHFSA-N 488.009 5.118 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1sc(Cc2ccc(F)cc2)nc1C 915398871 CFHSJSGDNWJKPX-INIZCTEOSA-N 458.580 5.003 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 915860057 FYEYWANTWYHBBH-XMMPIXPASA-N 470.529 5.184 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)cc1 916051874 VIQZSHZIXQXUFH-NDEPHWFRSA-N 480.589 5.877 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(CCc2ccccn2)C1=O)Nc1ccc(F)cc1 916209927 VHMKABBKTFFAHG-NRFANRHFSA-N 482.968 5.077 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2ccco2)cc1 916211977 IQEFUKJLWATPLC-FQEVSTJZSA-N 487.503 5.767 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)cc1 916214219 LERSRALIQJMRQV-DEOSSOPVSA-N 488.613 5.258 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(C[C@H]3CCCO3)C2=O)c1 916216745 YDAFCCUSTIXCHQ-GGAORHGYSA-N 465.619 5.060 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(C[C@H]3CCCO3)C2=O)c1 916217161 GUMZGDWXBJVPCO-IFMALSPDSA-N 465.619 5.060 30 20 JKED Cc1nc2ccccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 916292804 NADXHOQRCDSSMP-UHFFFAOYSA-N 484.357 5.202 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(NS(C)(=O)=O)c1 916708728 IBPMEUOWZFGUPR-ZHRRBRCNSA-N 482.993 5.250 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 916910325 SMYILMAMKCSPIF-QFIPXVFZSA-N 497.938 5.303 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 916914529 MRAJJIRJFQBMBT-OAQYLSRUSA-N 496.430 5.805 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc2cc(Cl)ccc2s1 917046538 KTFDRHQCZKKODJ-PZJWPPBQSA-N 458.926 5.894 30 20 JKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917047441 XBYHUGOKNJDYSJ-WMZOPIPTSA-N 460.386 5.624 30 20 JKED C=CCN(C(=O)C1CCN(Cc2nccn2C)CC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 917564729 FRWDQKXZEMNRGG-UHFFFAOYSA-N 497.668 5.642 30 20 JKED CC(=NNC1=NC(=O)/C(=C\c2csc(-c3ccccn3)n2)S1)c1cccc2ccccc12 917622299 AZJLCGQTTJPBMZ-RHMLEAKLSA-N 455.568 5.342 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1F 917663795 GXQYNKNXZMPKFN-OAQYLSRUSA-N 496.495 5.034 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cccc(C)n3)C2=O)c1 917681332 NUGNZCZZUFZTJK-HSZRJFAPSA-N 493.032 5.821 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ccnc(C)n1 917687068 MRDGKTQUTFJBDB-DEOSSOPVSA-N 487.629 5.125 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917699697 FIKBYYNMALZVSR-SBUREZEXSA-N 461.587 5.054 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccco2)C1=O 917714231 QNADHBRFNWVSDT-HSZRJFAPSA-N 477.586 5.572 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 917797965 LBJPORKLZFFOOW-IAPPQJPRSA-N 497.595 5.042 30 20 JKED CCCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@@H](C)c1cc2ccccc2o1 919776139 PRJPIBIMYJUVJB-PCGXCULLSA-N 482.606 5.251 30 20 JKED COc1cc(/C=C2\COc3c(F)cc(F)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 920066897 YXYKTWMJMOEUAA-OVCLIPMQSA-N 485.870 5.303 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 920113957 VSZBMNGTLLKEJE-BYRAAXQLSA-N 479.671 5.082 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C)cc3Br)n2)cc1 920139367 SJSCHTXEIJBEGJ-RUJXFNLJSA-N 453.361 5.779 30 20 JKED COc1cc(/C=C\C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)ccc1OCc1c(C)noc1C 920268662 OQUKEWWJBFPCEH-MNBNYPOFSA-N 486.553 5.287 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3c(NC(=O)c4cccnc4)sc4c3CCCC4)cn2)c1 920459152 RPORJMXRZOLBQM-UHFFFAOYSA-N 495.564 5.585 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Oc1ccc2ccc(C(F)(F)F)nc2c1 920800049 WTUQCKJKBOKFCE-UHFFFAOYSA-N 495.251 5.271 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CCO2)C1 1778883462 LBMSYOMWUKESMJ-JHOBJCJYSA-N 485.628 5.026 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-n4cnnc4)cc3)cc2)CCC1 1787947338 UCNOSVKXUWJFEQ-UHFFFAOYSA-N 457.578 5.007 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c[nH]nc45)cc3)CCC2)c(Cl)c1 1788455562 UZLZYKUVVDWBSU-UHFFFAOYSA-N 469.932 5.149 30 20 JKED Cc1nscc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789507571 JGJMOJFOEDWUPT-UHFFFAOYSA-N 453.684 5.250 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@@]3(F)CCCC=C3F)CCC2)cc1 1789509833 MAQVXULXTWBCBC-AREMUKBSSA-N 472.652 5.917 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(F)nc4)cc3)CCC2)cc(C(F)(F)F)c1 1789716658 XZNPDVCDTKIWHA-UHFFFAOYSA-N 482.437 5.173 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccn(C)c45)CCC3)cc2)c1 1790073266 XQDYATYFKQYCOH-UHFFFAOYSA-N 478.552 5.120 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)C4CCSCC4)CCC3)cc2)c1Cl 1790083793 JNTBEKBEAOQPQK-UHFFFAOYSA-N 453.995 5.103 30 20 JKED COc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083926 QEELHVJXHJWCKC-UHFFFAOYSA-N 465.962 5.343 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1 1790187806 AUGZFISODDGZTE-KRWDZBQOSA-N 467.566 5.587 30 20 JKED COc1ccc2[nH]cc(/C=C/C(=O)Nc3ccc(C4(NC(=O)[C@@H](S)C(C)C)CCC4)cc3)c2c1 1790562370 FJPPAMZXCWGJAR-PYVFBFEOSA-N 477.630 5.278 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ncc3Cl)CCC2)cc1 1791299115 RANILSRSBHHJLV-UHFFFAOYSA-N 498.755 5.457 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3sc(Br)nc3C)CCC2)cc1 1791299562 NPZPHDPGDGLWFT-UHFFFAOYSA-N 484.366 5.173 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4cccc(Br)c4n3)CCC2)cc1 1791579313 VTWMJADUESWKPO-AWEZNQCLSA-N 484.419 5.063 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(OC)c(OC)c3OC)CCC2)cc1 1791726517 VNOXJNDUKSETFH-LDADJPATSA-N 490.600 5.053 30 20 JKED COc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)c1 1792103943 BXKKGGMIMVNUFW-UHFFFAOYSA-N 471.532 5.086 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)s1 1792122100 BIOXYOJHRKGVLK-MRXNPFEDSA-N 458.587 5.449 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792209529 GXYVTYKRKSYIOU-GOTSBHOMSA-N 481.637 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc([C@@H](C)C(F)(F)F)cc1)C2 1793055072 SQPCHPUQNXSDOU-OCYFJXFZSA-N 462.556 5.302 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccccc3)n3ccccc23)c1 1799099496 UDOQENXHHKWGNY-QEIWAGNOSA-N 474.564 5.044 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)cc(Cl)cc2Cl)c1 1800578571 NEUQMAOVWDRCIY-CODKJTEISA-N 474.363 5.325 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1800702936 UBMLCBMUXGTUHN-HKNOCEQDSA-N 495.664 5.293 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1802374354 XUVAEZSPZYKLFI-OFVILXPXSA-N 477.008 5.304 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1802498965 PNVVGEJUBWSQJI-SQCRTRKFSA-N 471.601 5.539 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1C(F)(F)F 1803892504 LLXRETSRNPVEDS-XMTFNYHQSA-N 454.920 5.379 30 20 JKED CC#C[C@@H](CC(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1)c1ccc(O)cc1 1808536501 LFYCOXPJEJNOQM-VLXJUPLVSA-N 499.655 5.127 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(F)(F)F)nc3ccccc23)[C@@H]1c1cccnc1 1810025925 VWQNYDCUOKVSHC-KDLAUNOPSA-N 496.533 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1810172921 CTEVSHPVTWIJCV-GEQKSPFYSA-N 490.406 5.616 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1810275200 SEURYIOCKXWYTM-SHQCIBLASA-N 467.730 5.109 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2C2CC2)[C@H]1c1cccnc1 1810277048 KYZVNHQMMSDHDT-YWEHKCAJSA-N 487.720 5.330 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1810500022 KVDWNUKIRGVTJR-YADARESESA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1811164070 VQEGKBLKQQRARK-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C23CC(c4ccccc4)(C2)C3)[C@@H]1c1cccnc1 1814286501 GQUVLERVWPOQSH-FUZURDOLSA-N 471.645 5.202 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccco3)no2)n[nH]1)c1ccccc1 1817833492 HLKALMIVDYAZAH-OFNKIYASSA-N 497.555 5.161 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)n[nH]1 1818158088 QFBALDDPIMBUGD-HSZRJFAPSA-N 490.608 5.107 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C(F)(F)F)coc2C)n[nH]1 1818287848 BKNAPDFVOXWJSY-SFHVURJKSA-N 464.488 5.404 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)o3)n[nH]2)cc(C(F)(F)F)c1 1818427889 ZWZZHIJAONNQNT-INIZCTEOSA-N 491.857 5.166 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)[nH]n2)c1 1820306867 JGNPYHAXLMUOON-SFHVURJKSA-N 478.965 5.097 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1)c1ccc(F)cc1 1820486534 QUELPOKUEOAFBK-NOZRDPDXSA-N 473.552 5.166 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3c(F)c(F)ccc3c2)n[nH]1 1821548172 IOTUWLAHHIYIFU-FQEVSTJZSA-N 481.547 5.534 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)n[nH]1 1821788748 VIBSAXWXZUBVAQ-KHMOSXFSSA-N 491.680 5.524 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1822393708 CEJFMYFZZNPPGU-XUZZJYLKSA-N 455.002 5.299 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1824393045 WQZSNOOYBPDJRU-LVXARBLLSA-N 475.658 5.167 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1 1824761612 BFAXFKRNJXIDJO-RPWUZVMVSA-N 497.680 5.006 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2)CC1)c1ccccc1 1825170278 VTCKCEALQFUHCW-WDYNHAJCSA-N 485.672 5.140 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C2CC2)CC1 1825645279 HJSHGJZLSSTERG-JOCHJYFZSA-N 485.770 5.305 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1826317669 XQSYPKIRDCGXKY-KAYWLYCHSA-N 457.618 5.180 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1)C(F)(F)F 1827334912 YUEMQASLGYFPPB-QHCPKHFHSA-N 485.550 5.409 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)cc2c1 1828123591 XIFOECJEIHBRNQ-MHZLTWQESA-N 468.601 5.090 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)CC2)c1 1828319568 GNWIAOPHGZVPFZ-RXFWQSSRSA-N 468.601 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 1828822816 MEPWICYWOMHQCK-NHCUHLMSSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(Br)cc2C)CC1 1828823230 QKHMOBCAUKYSLG-FGZHOGPDSA-N 488.470 5.154 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1829066882 YRIQRMBHVXHWDR-RQWLHQTBSA-N 456.652 5.099 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1829599780 UNMRUCREGIBINW-SANMLTNESA-N 495.627 5.080 30 20 JKED Cc1nc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)c2s1 1829954805 OHTSIJHOADMOIR-XMMPIXPASA-N 472.614 5.024 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830474963 CJIKBGHZBHQMBI-QHCPKHFHSA-N 489.925 5.176 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)CC2)cc1 1830578729 OEPGJGQJVITGSF-XMMPIXPASA-N 467.972 5.092 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1830681571 RUWZEVJIPNLLFV-FTJBHMTQSA-N 494.676 5.486 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)oc2ccccc12 1830721447 GAKZDFVAGRBKAT-DEOSSOPVSA-N 490.003 5.813 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCC(F)(F)C3)CC2)cc(C(F)(F)F)c1 1830755384 YAPSPOPQBWCSJU-GHTZIAJQSA-N 497.508 5.246 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635919 YQLSIKMDXPGZDK-DVECYGJZSA-N 494.035 5.523 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cc4cccc(F)c4)cc3)CC2)c1 1832734469 WVEADQOMVKLXFY-MUUNZHRXSA-N 498.602 5.163 30 20 JKED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)CC1 1837072910 PXGLPLAORXTPHY-UHFFFAOYSA-N 492.685 5.193 30 20 JKED C[C@H]1CCC[C@@H]1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1838297177 HQQNZBXBZYSNAJ-NGQVCNFZSA-N 498.667 5.135 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(OC(F)F)cc1 10172739 SCICVDMBIUNFHA-UHFFFAOYSA-O 455.550 5.806 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)cc1 10173790 AHITVYIDQBVNEM-UHFFFAOYSA-O 469.586 5.796 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)c(C)s1 10179417 DKBWHWKOHQEFCB-UHFFFAOYSA-O 452.408 5.716 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)c(C)n1C 11113519 GNAZDQXPKQNRDF-UHFFFAOYSA-O 462.567 5.001 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)n(C2CCCC2)c1C 12474127 IJOSMOPKKYHNMV-UHFFFAOYSA-N 498.583 5.068 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)o2)cc1 14803044 SMKOFYGPFKKGNQ-UHFFFAOYSA-N 482.540 5.044 30 20 JKED Cc1cc(C)c(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc(C(C)(C)C)cc2)c(Cl)c1 22732835 AXZGUONJTZPROO-UHFFFAOYSA-O 472.099 6.963 30 20 JKED N#CCn1c(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)nc2ccccc2c1=O 23552489 NXWAUBGCUBAXKV-UHFFFAOYSA-N 498.999 5.037 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 25785854 PVUAETQLKWZRDE-UHFFFAOYSA-N 492.944 5.197 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1 26055094 GGERQZZKEBFLFS-UHFFFAOYSA-N 479.675 5.262 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc(Cl)cc1 36802355 GYPPPEKCZYMARH-UHFFFAOYSA-N 450.898 5.117 30 20 JKED COc1ccc(-n2c(S[C@@H](C#N)Cc3ccc(C)cc3)nnc2-c2ccccc2OC)cc1 71798041 NTTFYEMPWOCNEU-JOCHJYFZSA-N 456.571 5.487 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 71967171 JZGHZXDCWFWGEO-UHFFFAOYSA-N 450.567 6.162 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1Cl 195622725 JQGSIUKZIIRTMF-GOSISDBHSA-N 498.867 6.591 30 20 JKED CCOc1ccc(C(=O)N2CCC(Nc3c(C#N)cnc4c(F)ccc(Cl)c34)CC2)cc1 195663469 GBVJBPQVAOHOLU-UHFFFAOYSA-N 452.917 5.014 30 20 JKED COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O[C@H](C)C#N)cc(OC)c1OC 207161901 PLQVSWQZICZCNJ-UWCCDQBKSA-N 458.514 5.206 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1c1ccccc1OC 254746336 BHLRRSJPNHCXNY-JOCHJYFZSA-N 497.523 5.147 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(Br)cc1 255946226 DADMABMBGDJHTA-INIZCTEOSA-N 451.389 6.104 30 20 JKED C=CCn1c(SCc2noc(-c3ccccc3O)n2)nc2scc(-c3cccs3)c2c1=O 436775582 FTMADKOMAXLZFK-UHFFFAOYSA-N 480.596 5.420 30 20 JKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481087559 SUALXLUCOOFVIW-MRXNPFEDSA-N 465.912 5.088 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)C(=O)N(C)CCC#N 501572037 AMDHPIHOWDMHHZ-AWEZNQCLSA-N 460.390 5.094 30 20 JKED CC(C)(CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 502582668 VGZBZGKYARNKIE-UHFFFAOYSA-N 486.359 5.386 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 502693360 HWKOSSYKLQRZKC-MRXNPFEDSA-N 476.876 5.426 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1SC 503578761 HYWTWSGBJYHOFI-CYBMUJFWSA-N 494.381 6.246 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)c2c[nH]c3ccccc23)c1OC 503676671 LZFVCYCZAMXLIJ-NRFANRHFSA-N 474.948 5.664 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(Br)cc3)n2)nnc1-c1cccnc1 503716873 ODIOTOBIFDKUSC-UHFFFAOYSA-N 470.421 5.704 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CSCC(=O)Nc2cccc(Br)c2)cc1 507923764 VAFOQTZCCDFAOX-UHFFFAOYSA-N 496.386 5.423 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCc2nccn2Cc2ccccc2)cc1Cl 510024792 WBXRUAGFXKZKMV-DEOSSOPVSA-N 469.976 5.604 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C2CC2)o1 510244802 OLAUIDVOXNPTNF-KUHUBIRLSA-N 465.604 5.615 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1 510619914 PLAUFSIYNBBRAG-UHFFFAOYSA-N 468.557 5.096 30 20 JKED Cc1ccc(-c2noc(CN3CCN(C(=O)Nc4ccc(Oc5ccccc5C#N)cc4)CC3)n2)cc1 510676616 ZVMZYYGLPZHJSP-UHFFFAOYSA-N 494.555 5.059 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)C)nnc1-c1cccnc1 514525524 JLQXJVFPWQULTL-GOSISDBHSA-N 462.406 5.588 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 514578725 AASOQPBJMZWJFZ-HHHXNRCGSA-N 452.558 5.167 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 515711612 QIELXROHZSHOQQ-UHFFFAOYSA-N 476.945 6.240 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3S[C@H](C)CC#N)[C@H](c3ccco3)C2)cc1 517534927 KQVPYKYHKUWWIH-JPYJTQIMSA-N 474.586 5.472 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1cccnc1 518002777 FHRWGXTXEMWXGR-GOSISDBHSA-N 488.642 5.333 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 518652876 IIYYQAMOERAKKS-CQSZACIVSA-N 458.012 5.261 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 518701674 ZALUAHHONVTLJA-SFHVURJKSA-N 450.585 5.165 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)cc2)c1 518730834 BUHWSEHQROMVIK-UHFFFAOYSA-N 473.583 5.736 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2)c1 518732909 XBQQWMMTVXIITI-UHFFFAOYSA-N 489.578 5.143 30 20 JKED C=CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 519105973 IEVZUVCXZAVOHG-UHFFFAOYSA-N 484.496 5.204 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3cnn(CC)c3c2)nnc1-c1ccc(Cl)cc1Cl 520262113 KFAGSFKGVLIBJM-UHFFFAOYSA-N 487.416 5.538 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccc(Cl)cc1 520814444 BEKVUQCLHJKJRN-INIZCTEOSA-N 484.050 5.910 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 520829614 HHLYADBBKCYGCH-IBGZPJMESA-N 491.638 5.332 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 520835469 NRKZEUCLPVCPGB-UHFFFAOYSA-N 489.475 5.574 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(OCc2ccccn2)c1 520939265 PBLFTYLZNSAEMU-HXUWFJFHSA-N 464.525 6.207 30 20 JKED Cc1sc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)nc1-c1ccc(Cl)cc1 521151856 PFVGXBXUHKGUFG-UHFFFAOYSA-N 453.011 6.011 30 20 JKED C=CCN(C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 521326338 NEBIWGQJAOCLEK-RTBURBONSA-N 473.606 5.114 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 522958348 PBABFQDKLHQUEX-QGZVFWFLSA-N 498.299 5.639 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 524497883 DYNADLGLGJCMNQ-CQSZACIVSA-N 486.330 5.340 30 20 JKED C[C@H](Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 552389215 QNOHJNOVUFEKMO-AWEZNQCLSA-N 459.855 6.462 30 20 JKED N#CCCn1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 553024643 YKPWCCOUTCDKMO-SFHVURJKSA-N 486.557 5.001 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1-c1ccc(Br)cc1 603764318 LDGBPSBWJCYFSZ-UHFFFAOYSA-N 474.318 5.255 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(OCCCC#N)c2)cc1 603972049 JAFPKKGRIUWYMU-UHFFFAOYSA-N 453.542 6.097 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)c1 603972268 AQVMTISDINQEPP-QHCPKHFHSA-N 465.347 5.890 30 20 JKED Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1 604163319 SYQPABRUQQGSSO-UHFFFAOYSA-N 496.592 5.326 30 20 JKED Cc1c([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 604448395 IDKZVQSXIDQFPF-SFHVURJKSA-N 470.573 5.975 30 20 JKED CCOC(=O)c1sc(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c(C#N)c1C 604528030 FOGJRCSFVXWACV-UHFFFAOYSA-N 498.611 5.556 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)cc1 604560568 WTJABFCPBNDCLR-UHFFFAOYSA-N 465.585 5.086 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2Cl)c1 609062995 OGBUSIATWAQIGM-UHFFFAOYSA-N 468.944 6.106 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209856 QBXGVRMSGXVSGM-UHFFFAOYSA-N 470.504 6.241 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 609404255 NKFGSXYOFMJFLA-QFIPXVFZSA-N 470.038 5.592 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 609427808 NJRMYISKHZQNDH-CQSZACIVSA-N 466.613 5.219 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 609438378 LXNZBYTWVZMEEX-GAJHUEQPSA-N 479.552 5.398 30 20 JKED CC(C)C(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 613346500 LIIQTBDYDQRAAD-KRWDZBQOSA-N 458.370 6.201 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F 613404216 OTPYECAOUXEKDV-LJQANCHMSA-N 453.452 5.774 30 20 JKED C=CCn1c(SCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)nnc1-c1ccco1 614011877 DODUUHXYVGZSBJ-OAQYLSRUSA-N 483.597 5.246 30 20 JKED C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(OCc2ccccn2)c1 616055798 CAGBCCNOIUJOFA-GOSISDBHSA-N 453.464 5.091 30 20 JKED O=C(NCC1(c2ccc(F)cc2)CCOCC1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619374203 KSFZMPACNFJTBY-QLPKVWCKSA-N 470.429 5.083 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 619753815 OOEAWBOEHUZMPS-HXUWFJFHSA-N 477.467 6.256 30 20 JKED Nc1c(F)cc(Cl)cc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517318 GBSHKNKWXWAOPC-OAHLLOKOSA-N 470.772 5.313 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(-n2nccc2C(F)(F)F)c1 623589322 DJUXHKUSFQPXSM-VXGBXAGGSA-N 473.339 5.530 30 20 JKED C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nnc1-c1ccccc1F 645077353 NATHLJJAEUPIGW-UHFFFAOYSA-N 453.568 5.152 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 725995277 CSSPYGJJQINZEQ-HVPFBLEYSA-N 479.524 5.305 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1cnn(CC)c1 726110624 GVXSBBVCKJSGTH-MRXNPFEDSA-N 486.812 5.010 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/[C@@H](C)c1cccs1 726415031 DWCHMIREAYVTEH-FCHYBLABSA-N 455.649 5.175 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccnc(C)n3)C2=O)c1 726422353 VMNUTAIYCVAUBV-YUGFFRFOSA-N 493.658 5.053 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C#N)CCC)c1 726532359 HCJHJFYUODISRQ-INIZCTEOSA-N 499.942 5.162 30 20 JKED C=CCc1cc(CNC(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1OC 727153389 KOJPVPVEYLUOAX-UHFFFAOYSA-N 494.632 5.017 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 727229832 DVSRIDMRQQFAFJ-QHCPKHFHSA-N 479.502 5.393 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cnc(-c2ccccc2)s1 727253921 NKNUABLBRLYFSA-UHFFFAOYSA-N 462.987 6.093 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 727997051 RSZBJZIYPOGLAY-UHFFFAOYSA-N 466.291 5.369 30 20 JKED Cc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1NC(=O)c1ccccc1F 728032798 OXGNGFPSWRRIOP-UHFFFAOYSA-N 479.511 6.089 30 20 JKED COc1ccc(-c2nnc(S)n2CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 728082018 YTCCSEKUYPWOGK-UHFFFAOYSA-N 499.596 5.030 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1Cl 728236374 ICZQAWWLOVVAOQ-LADGPHEKSA-N 459.933 5.518 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c1C 728424293 YBVAXWIBXPWABM-NTKDMRAZSA-N 483.597 5.292 30 20 JKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 728669601 QIRYXSILLUHEBJ-CQSZACIVSA-N 465.849 5.096 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2\CN(c3ccccn3)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728699604 VKJWMCJAZUXNMP-LTWBVNJGSA-N 490.563 5.220 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c(C)c1 728777769 OCLJPLJEVOYAFM-QFIPXVFZSA-N 483.037 5.919 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(Cl)c1 728778984 WITMWLCFSZEERO-HSZRJFAPSA-N 491.016 6.147 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(C)C)cc1 729145406 KVVKTSCOAJYBIW-NRFANRHFSA-N 494.642 5.399 30 20 JKED N#CCn1c(C(=O)Nc2nc(Cc3ccc(Br)cc3)cs2)cc2ccccc21 729325029 LNRYURWKPNOBLC-UHFFFAOYSA-N 451.349 5.227 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/[C@@H](C)c1cccs1 729632986 UMWXKKJECYCSFO-VBUNTTMDSA-N 482.606 5.181 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](c2ccccc2)C2CCC2)C1=O)Nc1cnccn1 730716912 BQQRKXFFESOQET-ZJSXRUAMSA-N 489.576 5.117 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 731030985 NSSDGYUVBPPKJB-CEMLEFRQSA-N 486.682 5.131 30 20 JKED C[C@H](C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1c(Cl)cccc1Cl 731076500 FFGWOULAZBEISX-KGLIPLIRSA-N 451.375 5.673 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1cccs1 731310640 MIJXXYCASIAGAN-VGSWGCGISA-N 479.627 5.354 30 20 JKED CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 731332170 FJJMZKFJGFKFAA-SFHVURJKSA-N 496.610 5.500 30 20 JKED N#Cc1ccccc1COc1cccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 731361011 VLNTUFHLTMQNJW-UHFFFAOYSA-N 463.528 5.497 30 20 JKED CC(=O)Nc1cccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4C#N)c3)SC2=S)c1 731371626 IWXPZAHECWGPBU-ZMOGYAJESA-N 485.590 5.501 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 743524638 LPJFESJNMARHMS-VGOFRKELSA-N 462.550 5.251 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C 746695362 FLTOOEPRPGDTBK-QHCPKHFHSA-N 467.635 5.389 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(C)c1 746696981 XHYWIXULPLOQBL-JOCHJYFZSA-N 471.598 5.220 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747599125 FYEFPPFMNTWTFE-SFHVURJKSA-N 491.425 5.610 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c(C)c1 747601929 WYHDGTFGYAAUNS-FQEVSTJZSA-N 468.579 5.060 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCc3nccs3)C2=O)c1 747601962 XEMUHGDNWVJLOQ-HXUWFJFHSA-N 499.061 5.616 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1sc(-c2cccnc2)nc1C 747609756 AUOAXCYVLJYJPM-UHFFFAOYSA-N 490.654 6.306 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3c(F)cccc3F)CCCC2)cc1 750372213 UONORSPXYKQFNH-JOCHJYFZSA-N 473.523 5.187 30 20 JKED Cc1csc(SCc2c(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)oc3ccccc23)n1 771753190 LPBXINPYBMOUEQ-JOCHJYFZSA-N 488.638 5.513 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2cccc(OC)c2)c1 914280647 XGKTZIKTSIVAHU-GOSISDBHSA-N 485.005 5.221 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 914543729 LMJDSSOHHRWHQT-RUZDIDTESA-N 487.625 5.610 30 20 JKED CS(=O)(=O)c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 914834308 ALOPOYKBTCYARS-UHFFFAOYSA-N 456.527 5.135 30 20 JKED N#C[C@H](C(=O)Cc1csc(Cc2ccccc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915104983 QFXOGUKZDNYUDV-MRXNPFEDSA-N 457.502 5.781 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1 915645762 NYADSQRLFMDIIW-UHFFFAOYSA-N 450.567 5.235 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2cc(C)ccc2C)cs1 915912905 UVDJOTSYMGDCAY-UHFFFAOYSA-N 458.012 5.418 30 20 JKED CC(=O)N(c1nc(C=NNCc2ccc(C(F)(F)F)cc2)cs1)c1ccc(F)cc1F 915971891 DRZALSPUZGVEOM-UHFFFAOYSA-N 454.424 5.248 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@@H]2CCCO2)c1 916204490 GNTKYEKBXDMZKS-REWPJTCUSA-N 465.619 5.060 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CC2)C1=O 916214433 NTMDENALMJFTCE-FQEVSTJZSA-N 457.983 5.252 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCOC)cc1 916215924 ZNBJNESTCCCPGT-XMMPIXPASA-N 491.613 5.235 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 916450026 XUVBUXUMEYXMRJ-UHFFFAOYSA-N 488.950 5.930 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1nc2ccccc2s1 916847929 WGNJUIRJHIXLJJ-LJQANCHMSA-N 490.382 5.730 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 916883203 HQDHJHBMJRWXSS-VXKWHMMOSA-N 493.535 5.210 30 20 JKED N#C[C@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12 916918472 PLRYWGAAMALFDU-OLHLWXQYSA-N 476.376 6.238 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 916924901 GKVRKEQLLFECME-LVWOJMJRSA-N 450.947 5.828 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1 916955349 POUMJCNQGNULKB-MGPUTAFESA-N 482.009 5.182 30 20 JKED Cc1sc(=O)n(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1-c1ccc(F)cc1 916976548 SEDVUIGBZYMSBP-GOSISDBHSA-N 483.977 5.678 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cs1 917560632 UAQQEXRQPXRHGO-YIMYCEAYSA-N 463.490 5.705 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C#N)cc2)cc1 917683848 CUVABDFWXAUIHB-VWLOTQADSA-N 498.608 5.344 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N([C@@H](C)Cc3ccco3)C2=O)c1 917703554 OPQCHILUGNJJLO-YADARESESA-N 486.597 5.360 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704871 YTXMHSFNAMJIHN-GAJHUEQPSA-N 490.560 5.272 30 20 JKED CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 919558066 IPUPPUQVBMIHRM-UHFFFAOYSA-N 496.778 5.489 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2nnn(-c3ccc(C)cc3)c2C)cs1)c1ccc(F)cc1F 920067561 IOPNDAZTCOMVJC-XFFZJAGNSA-N 479.512 5.200 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2c(C)noc2C)c1 920353271 FOXAUMGMIZQWIQ-RUZDIDTESA-N 498.608 5.914 30 20 JKED CSc1cccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CC2=O)c1 920805350 CFXJFNGXVGSSCK-XJKSGUPXSA-N 469.538 5.040 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 929084606 FOEPBVCKBXDPMG-UHFFFAOYSA-N 474.369 5.333 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCc5ccoc5C4)cc3)CCC2)c1 1786218415 YQKAXLDNAAKOSQ-NRFANRHFSA-N 453.542 5.013 30 20 JKED CCn1c2ccccc2c2cc(C(=O)NC3(c4ccc(NC(=O)CCC#N)cc4)CCC3)ccc21 1787888346 IJTDAJYLVVGRDV-UHFFFAOYSA-N 464.569 5.866 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2)CCC1 1788685461 IXFKRKAUPDMMGT-KRWDZBQOSA-N 460.603 5.473 30 20 JKED Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(C#N)cc5)CCC4)cc3)c2[nH]1 1789015747 FWKMPTIOZTVMME-UHFFFAOYSA-N 462.553 5.338 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c(C)oc4cc(O)ccc34)cc2)CCC1 1789020495 PJAYMVSZJDUYIG-UHFFFAOYSA-N 450.560 5.114 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccn4ccnc4c3)cc2)CCC1 1789305120 DLJSGYKWUKUNIL-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCC2)cc1 1789448631 FHTQQKZHBLQLAD-KNQAVFIVSA-N 469.626 5.050 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CCCC(=O)OC(C)(C)C)CCC2)cc1 1789448791 HOUKCSCLWLRCBU-QFIPXVFZSA-N 454.611 5.401 30 20 JKED Cn1c(CC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)cc2ccccc21 1790286935 PIMZWKCIQUFUPN-UHFFFAOYSA-N 462.553 5.040 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1 1790521509 OBELZGKFBVTTGQ-HSZRJFAPSA-N 495.620 5.124 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4c(Cl)cccc4c3C)CCC2)cc1 1790564740 NDAIEWOYYVRGDE-KRWDZBQOSA-N 480.996 5.678 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3oc3ccccc34)CCC2)cc1 1790566439 ANFLZFISMNEWNE-LJQANCHMSA-N 483.568 6.135 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)/C=C\C=C\C)cc2)CCC1)NC(=O)OC(C)(C)C 1791243861 DALBZJRNKBFZIO-SQYLCVMQSA-N 467.610 5.112 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3OCCc4ccccc43)CCC2)cc1 1791295925 DLWAROYYIMYIDX-JOCHJYFZSA-N 454.517 5.036 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)c(C)n1 1792168705 UIWFOECJOJHACW-UHFFFAOYSA-N 482.584 5.419 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cncc3Cl)CCC2)cc1 1792236455 GWUBYPJBGKUFGU-UHFFFAOYSA-N 495.366 5.087 30 20 JKED Cc1cccc2[nH]c(C(=O)NC3(c4ccc(NC(=O)COc5ccccc5C#N)cc4)CCC3)cc12 1792240751 REXCBAITNVFEPX-UHFFFAOYSA-N 478.552 5.175 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCc1ccc(C(F)(F)F)cc1 1793514779 YJUPEMQIHKECBN-BJESRGMDSA-N 462.556 5.435 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 1796966053 CTGVAWOGTCPZCK-ZFWPHHPHSA-N 487.987 5.793 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cccnc2)cc1)c1ccccc1 1800275633 ZOZTZSCXGLRDHU-VJLHXPKFSA-N 477.608 5.198 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCCCC(C)(C)C)cc1C#N 1801833276 FMOCBJOLRFOVRB-BKFWDETESA-N 467.654 5.594 30 20 JKED N#Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)cc1 1802389931 WWOHEUORMMPPJX-VVCPMHSZSA-N 498.671 5.198 30 20 JKED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCC1 1803524094 OHEKSPVPAYRCJZ-WKCHPHFGSA-N 497.517 5.443 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@@H]1c1cccnc1 1806998491 ONIRCUQOCIQJDZ-KEYUVNQYSA-N 498.671 5.234 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)ncc3Cl)C2)CC1 1807292626 PQKIWOQAXNDZBP-UHFFFAOYSA-N 496.877 5.335 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)C2)CC1 1807633329 BOCBZRJBULVSDS-GOSISDBHSA-N 488.554 5.153 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1808147823 LASZPIMDRLTBQB-NOZRDPDXSA-N 489.660 5.497 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1809404709 RDBWFWDDPCFJPZ-GBXCKJPGSA-N 479.024 5.528 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@H]1c1cccnc1 1809687277 DBAYAMBIECGYKB-KBMIEXCESA-N 496.533 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@H]1c1cccnc1 1810173069 DWLMQWAMAZQJMF-FENANZCXSA-N 498.627 5.059 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)C2)CC1 1810304650 TXWWFZQESGKXSJ-NRFANRHFSA-N 480.649 5.697 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(F)c(F)c3)CC2)[C@H]1c1cccnc1 1810504576 GFSWJQKEDOSLQN-RDPSFJRHSA-N 481.587 5.090 30 20 JKED CCCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1811420143 LTWGYVAFMXGTRE-OZXSUGGESA-N 487.003 5.193 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1812499922 FYAMFHNUDJQEOF-ZJSXRUAMSA-N 480.052 5.465 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1812591289 DGLHUXKFYHNJIT-PPNCUWOSSA-N 471.576 5.420 30 20 JKED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1813035528 KLMAODJMBXTZQB-ZDGKRHAVSA-N 486.081 5.033 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814381205 LIIXGJRXZDCHKG-NBGIEHNGSA-N 469.589 5.018 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2OC)[nH]n1 1814440116 KRKKHUTXQLSBQR-NRFANRHFSA-N 452.599 5.036 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC(=O)Nc2ccccc2)n[nH]1 1814840525 NQQBIISQLFIXDO-QFIPXVFZSA-N 479.625 5.203 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H]2CNc3ccccc3C2)n[nH]1 1817373821 YCXVMKLLASKXAE-NLFFAJNJSA-N 475.637 5.235 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818210955 UUHFETRZZJSXEU-RHSMWYFYSA-N 450.461 5.096 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818596624 SWMIKMFYJMDYQH-INIZCTEOSA-N 462.497 5.281 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3cc[nH]n3)n3ccccc23)n[nH]1 1818972691 OZJWNCGAOPODTC-XMMPIXPASA-N 497.603 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)[nH]n1 1819303680 ZOEFIYMDPVISQE-GBPOLFSSSA-N 468.548 5.252 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)[nH]n1 1819552746 ZEVDWENFEVHRRR-HSZRJFAPSA-N 461.610 5.129 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccc(-c2ccccc2)c(F)c1 1820237774 VVBAQRUTYUMEAF-JBIOKXMTSA-N 499.546 5.234 30 20 JKED Cc1ccc(C2(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cc(C#N)c[nH]4)n[nH]3)CCCCC2)cc1 1820310217 NVENPCBMWDVYAN-DEOSSOPVSA-N 484.604 5.126 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c(Cl)c1 1820906357 FEMBLYGQARQCDF-RSNBEDGSSA-N 465.985 5.377 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(F)c2Cl)n[nH]1)c1cccs1 1821120084 KJTYFVYAHUQTJW-FVNWOWOISA-N 486.956 5.009 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occc3c2O)n[nH]1)c1ccccc1 1821501829 BNWPDQREPPHEBV-RDPSFJRHSA-N 496.567 5.365 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1821918210 HEXPEFJYRBOZOW-ONHSTZBPSA-N 460.500 5.346 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc(F)c(F)c(F)c3)n[nH]2)c1 1822283468 SBOBFJLDQSSBCL-IOUFHMPJSA-N 493.489 5.026 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823210524 CUVXWQROHBVBRS-HRAATJIYSA-N 476.968 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cccs3)[nH]n2)c1 1823212647 QEHSMPCUYCYWBU-OTTIEBEZSA-N 459.575 5.118 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)c3ccc(Cl)cc3)[nH]n2)c1 1823212913 ZKCZTVCAUQSYAX-GGUMNFRJSA-N 490.007 5.800 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)c3ccccc3)n[nH]2)c1 1823496424 HOLIWJHXNDSWOO-YDIMBITNSA-N 455.562 5.146 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CC(c4ccccc4)(C2)C3)n[nH]1 1823588291 JDWNGUWINPKBSO-GHXQVECXSA-N 458.606 5.292 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)C1 1823702399 MCLISOPMIJLTNQ-DEOSSOPVSA-N 471.601 5.627 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)C1 1823704428 GPRYNWUVUAKDSZ-QFIPXVFZSA-N 482.974 5.487 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)c1 1824539008 KVFNFWBKVIDWMU-AHWVRZQESA-N 479.690 5.245 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)CC2)cc1C#N 1824863272 KARICCOSTDVGHL-BDYUSTAISA-N 491.607 5.290 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1825565823 AEHLYJLFOYKFGR-IFMALSPDSA-N 475.077 5.293 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1826315790 YWSXYHMNFZTFKU-FGTQWKHKSA-N 478.658 5.301 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)CC1 1828252750 WFIALEKJOCQGNA-XMMPIXPASA-N 465.663 5.606 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1828827795 VGFGSKCVRACSRR-XZOQPEGZSA-N 462.556 5.707 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829748862 HCPSCRVTICQVGH-SANMLTNESA-N 460.622 5.078 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c1 1829897439 ZSNGBAIXNSEEGR-DFBJGRDBSA-N 464.009 5.514 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)s1 1829956578 LESHYPZFTPQBBH-HSZRJFAPSA-N 478.662 5.295 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c1 1830633621 UCGMKOPAYQIXAA-RUZDIDTESA-N 464.009 5.262 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c(C)c1 1830694692 ZPEXVDKYQMNDFT-MHZLTWQESA-N 487.644 5.050 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1831221982 JTTDFOVYJOLJDT-NOZRDPDXSA-N 476.020 5.175 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1831371024 QILUCSPFAAJRQL-XMQADNEMSA-N 463.622 5.022 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831376160 JYMJEUGIPPTZNO-NBGIEHNGSA-N 458.602 6.032 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@@H](C)c3ccccc3)CC2)c1 1831509238 KQKJXOQDCCNASI-AMGIVPHBSA-N 457.618 5.294 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)ccc2[nH]1 1832634041 NOEWDEWNPDJFRN-PIIWDFAUSA-N 482.628 5.651 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)nc2C(F)(F)F)CC1)c1ccccc1 1832890558 ARYPWDJJWKLETK-FDDCHVKYSA-N 498.549 5.009 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CC1 1836076897 RLEQMABIURAKDD-QHCPKHFHSA-N 498.671 5.004 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3sccc3Cl)CC2)CC1)c1ccccc1 1838416915 WZAAYAQJJGKGFE-HSZRJFAPSA-N 499.076 5.211 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(Cc4ccc(F)cc4)c3)CC2)CC1 1838656461 BPDJFGLAKWBWEF-JOCHJYFZSA-N 492.635 5.241 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)c1Cl 1844756593 JSTPHOLTQAWNBB-UHFFFAOYSA-N 473.935 5.149 30 20 JKED O=C(/C(=C(/S)Nc1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)c(F)c1 10830521 AHTWYIMZYXUPNU-UHFFFAOYSA-O 493.986 6.547 30 20 JKED Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2ccccc2N/C=C/C(=O)C(F)(F)F)o1 16760221 AJRLCWKBPPNDJG-VAWYXSNFSA-N 498.417 5.114 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2scc(-c3ccccc3)c2c1=O 20047511 INCBVRWBBURZKC-MRXNPFEDSA-N 472.595 6.214 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1-c1ccoc1C 21925082 NVPQNRZRVBMPSD-JOCHJYFZSA-N 495.004 6.167 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731153 YYTVNZOARIPNKJ-UHFFFAOYSA-O 494.061 6.339 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c1C 28793323 MUTOCNWWESZNGM-UHFFFAOYSA-O 482.576 5.330 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 31208861 UWFIRBVCZJUCGE-UHFFFAOYSA-N 472.166 5.064 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 36774026 WLSSMUHWYREFSH-UHFFFAOYSA-N 482.034 5.351 30 20 JKED COc1cc(CCC(=O)NCc2ccc(F)cc2C(F)(F)F)ccc1OCC(F)(F)F 109914308 MESBUZFBFFOGJD-UHFFFAOYSA-N 453.354 5.043 30 20 JKED Cc1nnc(SCc2c(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)oc3ccccc23)s1 302995037 NDIPKPXTLZHUBD-UHFFFAOYSA-N 487.528 5.685 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)s2)cc1 303135293 JHUDWIUNZHHFOM-UHFFFAOYSA-N 459.600 5.070 30 20 JKED CC(C)c1ccc([C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2cccs2)cc1 409473268 BQAXILOFOZOTLF-SANMLTNESA-N 486.641 5.893 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)c1nc(C(=O)OCC)cs1 409818303 VLKKWZIPYHOCKN-UHFFFAOYSA-N 495.630 5.515 30 20 JKED CN(C)CCOc1ccccc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 476504230 BFPFHRNYGVZJHC-HSZRJFAPSA-N 462.981 5.258 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 480244777 BDJULMZNJZYLPN-UHFFFAOYSA-N 478.911 5.133 30 20 JKED COc1ccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1OC1CCCC1 489460593 RMQKJENRLBHNAY-UHFFFAOYSA-N 462.575 5.257 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 493039083 XXGGOXIFFQNIBU-CQSZACIVSA-N 476.583 5.205 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC(C(=O)c4ccc(Cl)cc4)CC3)c2C#N)C1 497484990 GIHCMXWNCOKUMA-MRXNPFEDSA-N 470.038 5.321 30 20 JKED COc1ccc2c(C)cc3nnc(SCC(=O)N(CCC#N)c4ccc(Cl)c(C)c4)n3c2c1 498030218 VTPPKGYPXHHUJY-UHFFFAOYSA-N 479.993 5.200 30 20 JKED C=CCn1c(S[C@H](C)c2ccccc2F)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 501425107 NXKZNNZVRBENKA-QGZVFWFLSA-N 474.627 5.154 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)c2)cc1 501480618 PLLRNZUQLJHHJX-UHFFFAOYSA-N 461.443 6.151 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1Cl 503285066 RVXYOPQEOBWADN-AHWVRZQESA-N 452.945 6.302 30 20 JKED C=CCOc1cccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)c1 503410686 YDSNQVIMAWPZQJ-UHFFFAOYSA-N 490.791 5.775 30 20 JKED CCc1nc(CN2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cs1 510642630 CAZQJNMXTBXXOO-QFIPXVFZSA-N 480.037 5.364 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 511335664 VPRLASXUBSFZLV-NOZRDPDXSA-N 473.960 5.306 30 20 JKED N#Cc1cccc(C(=O)Nc2ccccc2COCc2ccccc2NC(=O)c2cccc(C#N)c2)c1 511469880 AFWHDBFVXBFMAW-UHFFFAOYSA-N 486.531 5.651 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C 513475435 JHLWWTVPQYXHFZ-UHFFFAOYSA-N 451.567 5.513 30 20 JKED C=CCOc1c(Br)cc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1OC 513649330 WTRUBGSDBHCIQT-UHFFFAOYSA-N 473.411 5.441 30 20 JKED C[C@@H]1CN(Cc2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@@H](C)O1 513982603 GCCPPZNYTBJMOG-FGZHOGPDSA-N 486.591 5.541 30 20 JKED C=CCc1cc(CNC(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc(OC)c1OC 514060874 UXPHMGGAEXBUDJ-MRXNPFEDSA-N 451.592 5.425 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)o1 515172487 KKUVQZIQVZXPBZ-UHFFFAOYSA-N 475.508 6.060 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 515411669 LUZSIQZYIYQQJN-UHFFFAOYSA-N 480.490 6.273 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 515652827 XGDFQMOYAFFKIZ-UHFFFAOYSA-N 496.588 5.558 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 518739283 WVIUTPMVZYGJBU-DOTOQJQBSA-N 461.509 5.087 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1C 519942275 RXIHLLXDCXJAHU-UHFFFAOYSA-N 488.551 5.457 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)cc1C 519943113 YEYGLBUDNVTUIC-QFIPXVFZSA-N 455.606 5.707 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 520649360 JXEJUJTZVWHKEY-QGZVFWFLSA-N 462.365 5.459 30 20 JKED O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccccc1CS(=O)(=O)c1ccccc1 520872537 SELOKHSXBJWOCN-UHFFFAOYSA-N 451.547 5.313 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 521314717 UAYBMQYPZXTONO-MRXNPFEDSA-N 498.534 5.123 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 521727467 UJINYMCPCJNHBY-IAGOWNOFSA-N 461.547 5.667 30 20 JKED CC(C)(C(=O)Nc1sc2c(c1C#N)CCCCCC2)S(=O)(=O)c1ccc(Br)cc1 523584284 OKTXZGANNXZUEJ-UHFFFAOYSA-N 495.464 5.232 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl 524421696 GSNCRQLVLOLOKQ-MRXNPFEDSA-N 482.367 5.510 30 20 JKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 524563293 IXLDOBCFOMMIHE-LBPRGKRZSA-N 471.451 5.147 30 20 JKED COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2nccn2C)c1 584368083 XJIUNKMCIBDTTD-RUZDIDTESA-N 483.528 5.012 30 20 JKED C=CCn1c(SC[C@@H](O)COCc2cccs2)nc2sc(-c3ccccc3)cc2c1=O 588380523 JAQLQHHIFTVKON-KRWDZBQOSA-N 470.641 5.042 30 20 JKED N#Cc1cc(Oc2ccc(NCc3cc(Br)cc(Br)c3N)cc2)ccn1 600861405 SIASJJZQVQIKAN-UHFFFAOYSA-N 474.156 5.465 30 20 JKED CCCCCc1nnc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)s1 603458277 BULNWXSQSICABO-UHFFFAOYSA-N 465.604 5.126 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)s2)c(C(F)(F)F)c1 603757767 LLHLYCUSNXBRBG-UHFFFAOYSA-N 493.514 5.940 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCCCc2nc3ccccc3s2)cc1 604003857 LYBRSEUUMQEUFB-UHFFFAOYSA-N 455.583 6.293 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C 604112853 LMVKIHVEOIIROC-UHFFFAOYSA-N 468.538 5.500 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 604488237 AVHBYWBFHQIWTH-UHFFFAOYSA-N 478.376 5.348 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)c2)cc1 609176571 QYZSZQJFKXJIQK-UHFFFAOYSA-N 467.382 5.341 30 20 JKED COc1cc(OC)cc([C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2nccn2C)c1 609209145 SRGQAQVGZCGEDR-RUZDIDTESA-N 483.528 5.012 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 609369628 GUMBXAMKTLFTHE-GOSISDBHSA-N 489.626 5.711 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H](C(F)(F)F)C2)nc2scc(-c3cccs3)c2c1=O 613827878 ZOQMQFBDDAVBNY-ZDUSSCGKSA-N 499.605 5.266 30 20 JKED C=CCN(C(=O)c1ccc(=O)n(CCOC)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 614509621 OZNNDROJXGUNJF-UHFFFAOYSA-N 471.582 5.118 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 615971823 WBOAMHUDKKYVBI-UHFFFAOYSA-N 496.995 5.686 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 618279140 SPPCDFUSEHVSGC-UHFFFAOYSA-N 477.007 5.039 30 20 JKED C=CCN(Cc1nc(O)c2ccc(C(F)(F)F)cc2n1)Cc1cc(Br)ccc1F 623728146 POCXSDSAWKSQFV-UHFFFAOYSA-N 470.264 5.444 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 642550295 KQVSZCNRWJVILB-UHFFFAOYSA-N 476.392 5.032 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1 727624344 XBCBWFWIPIEKEW-QHCPKHFHSA-N 477.486 5.147 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 727997056 SCBRAQOTBOTGLV-HHHXNRCGSA-N 451.526 5.348 30 20 JKED CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728028320 FTMBEPNZEGEBDT-SANMLTNESA-N 451.567 5.468 30 20 JKED COc1ccc(N2CCC(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)cc1 728393912 ZAWSUNJSIPEJLI-UHFFFAOYSA-N 474.536 5.075 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 728422342 AHQQEGYNBZNGGT-NTKDMRAZSA-N 483.597 5.292 30 20 JKED CCN(CC)S(=O)(=O)c1ccc2nc(/C(Cl)=C/c3cccc(OCCCC#N)c3)[nH]c2c1 728440396 WUGIUJWGQBFIDJ-HKWRFOASSA-N 472.998 5.013 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N([C@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729144094 AZWYNLYFHOMSJP-IRLDBZIGSA-N 490.000 5.097 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc(OC)c1OC 729580252 SOBNXGLTNMDDAV-UHFFFAOYSA-N 481.593 5.442 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/[C@H](C)c1cccs1 729631424 ITHLMIHSLOENQE-VXXYOONBSA-N 482.606 5.181 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ncccc3C)C2=O)c1 729631482 OASHCHACSXOFHU-DEOSSOPVSA-N 472.614 5.476 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1sc2cc(C)ccc2c1Cl 729728640 OZOXWNKRFZXAIM-HNNXBMFYSA-N 456.951 5.364 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(CCc3c(C)noc3C)C2=O)cc1 730445378 YGTKGXGUQMKHKZ-DEOSSOPVSA-N 490.629 5.420 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)ccc1Cl 730631606 KWXMDPFOGYWJTL-UHFFFAOYSA-N 489.931 5.238 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731307401 RMHHSBIFSOLEIA-RPWUZVMVSA-N 471.582 5.348 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)c1 731308634 OKHPMROGHOCBJC-DEOSSOPVSA-N 484.581 5.041 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1F 743523738 CDOLOHGWXHHZSR-INIZCTEOSA-N 454.354 5.421 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@H](C)c3ccccn3)C2=O)c1 743526197 OQTBDZJCEPRDRQ-HXOBKFHXSA-N 492.576 5.259 30 20 JKED N#C[C@@H](C(=O)CCc1ccc(Br)cc1F)C(=O)Nc1ccccc1Oc1ccccc1 745311968 DHFHTOWRTPENCP-IBGZPJMESA-N 481.321 5.661 30 20 JKED CC(=O)c1cccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 747020743 GMHMTFLQLUZGIT-LJQANCHMSA-N 473.381 6.355 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCOC2CCCC2)cc1 747044242 QAHOFVQBJVHOIX-QHCPKHFHSA-N 499.608 5.144 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CC(F)(F)F)C2=O)cc1 799213529 SQOZHRUBSHOEOF-IBGZPJMESA-N 479.524 5.225 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 837423816 YXJYRWHKRZMSRD-XXBNENTESA-N 458.587 5.420 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)c2C#N)C1 875463940 ZMVOMVBDEMSWBY-CYBMUJFWSA-N 451.013 5.080 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(F)cc1 914552222 WAJABGIVUCSXNB-FQEVSTJZSA-N 467.591 5.034 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(NC(=O)c4cccs4)n3)n2)cc1 915102487 ZULCZZOCCKNRTR-MRXNPFEDSA-N 464.597 5.308 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[C@@H](C#N)c4nc5ccccc5o4)cc3)ccc12 915104482 BYLXPICIDFTUOH-OAQYLSRUSA-N 450.450 5.312 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(C3CCCC3)C2=O)c(OC)c1 916207554 GRIKZJFPDSLHOH-QHCPKHFHSA-N 481.618 5.224 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1F 916209506 LSZZTRJBIJXOEV-IBGZPJMESA-N 475.904 5.372 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 916210274 ZFFFBAFACDSHAM-FQEVSTJZSA-N 498.948 5.310 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 916954495 IJDDMBPFQOYCKN-JPYJTQIMSA-N 465.557 5.593 30 20 JKED N#C[C@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc2ccccc2n1C(F)F 917041820 XMKRBYNLCPOIMU-HXUWFJFHSA-N 472.470 6.528 30 20 JKED CC(C)N1C/C(=C\c2cnc(-c3ccccc3)nc2)C(=O)/C(=C/c2cnc(-c3ccccc3)nc2)C1 917143155 DCIQFFRKLZTLAQ-BMNRKXRESA-N 473.580 5.361 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1c(C)nn(Cc2ccccc2)c1Cl 917175764 LMPJPULVXZHAOR-UHFFFAOYSA-N 484.000 5.681 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 917505909 RPOQRXFSXXXGSO-RCCFBDPRSA-N 475.570 5.060 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CC3)C2=O)cc1 917652970 HIIDWYHVCZCUAC-LJQANCHMSA-N 490.601 5.190 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(C)s2)C1=O 917664209 LHCGFTZJGSXJOF-OAQYLSRUSA-N 483.590 5.365 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2F)c1 917695648 AZVBIOMIXMNWJL-QHCPKHFHSA-N 495.551 5.272 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(C)c3)C2=O)c1 917707071 KIYWWWFXDSRELZ-DEOSSOPVSA-N 484.581 5.036 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@H]2CCCO2)c1 917714226 QIWDVMRGFXNHMF-KNQAVFIVSA-N 469.582 5.088 30 20 JKED O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 917783376 ASTRLGZIGJCSCI-UHFFFAOYSA-N 486.391 5.902 30 20 JKED C[C@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)N1c2ccccc2Sc2ccccc21 919207454 XIXQYNRIQBBXLO-KRWDZBQOSA-N 460.580 5.553 30 20 JKED Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)cc1C 920783058 KEZVCULMSSWFAS-ZUSYLBMNSA-N 482.650 5.265 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 921388191 BVIGSQFJKWRACB-KOXKPCSVSA-N 478.545 5.315 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3c(Cl)cccc3s1)C2 1779271429 PZAAHSVDHIKFJE-YPAAYVHUSA-N 487.065 5.451 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4[nH]c5ccoc5c4-c4ccccc4)CCC3)cc2)C1 1785808546 LSRSVBKUMMMGHM-UHFFFAOYSA-N 465.553 6.142 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)NC1(c2ccc(NC(=O)C(C)(C)C#N)cc2)CCC1 1785933220 RLFUVZBGSXWGFC-QFIPXVFZSA-N 496.652 5.144 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ncc(OC(F)F)cc4Cl)cc3)CCC2)C1 1787110826 ZEHZRLDBSZSIIW-UHFFFAOYSA-N 461.896 5.050 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788737908 ITFDHDGGLFNINU-FQEVSTJZSA-N 470.573 5.297 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1789491236 AZCSGQFMFTWEQD-NRFANRHFSA-N 465.981 5.142 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cnc4Cl)cc3)CCC2)cc1 1789718504 JFTLHCMQFRRTCP-UHFFFAOYSA-N 462.912 5.002 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)ccc1F 1789877394 BCTFFJNSTGOXBI-UHFFFAOYSA-N 496.464 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789993788 ZXQGLYZGGAVMII-HSZRJFAPSA-N 494.595 6.339 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)c4cccc(C)c4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1790284776 DXQQRXLLBRTSCU-DEOSSOPVSA-N 489.616 5.308 30 20 JKED CCCOc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5ccc(C#N)cc45)CCC3)cc2)cc1 1790338262 UVHMMXQHHKOEKQ-UHFFFAOYSA-N 493.567 5.285 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccnc5ccccc45)CCC3)cc2)c(C#N)c1 1790473014 ICSIYZRARLLNCQ-UHFFFAOYSA-N 490.563 5.105 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CSC4CCCC4)CCC3)cc2)c1 1790761858 IKIDAHSUUCPIPC-UHFFFAOYSA-N 451.567 5.121 30 20 JKED Cc1nc2ccccn2c1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790766977 ITRLSOXKFNADTP-UHFFFAOYSA-N 483.959 5.229 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4c(Cl)cccc34)cc2)CCC1 1790958365 LHRDMVHNWLZJAU-UHFFFAOYSA-N 498.970 5.520 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cncc(C(F)(F)F)c3)CCC2)cc1 1791300403 FLMHZKGMEFPRED-UHFFFAOYSA-N 453.411 5.060 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCOc4ccccc4Br)cc3)CCC2)C1 1791480611 IBRHFKQEIRXBJV-UHFFFAOYSA-N 483.406 5.318 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCc5ccccc54)cc3)CCC2)c1 1791690191 MLIJTFHPFQPIMK-SANMLTNESA-N 465.553 5.045 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)c1 1792123692 BHAZVPCQUXNXNY-XRHLQHRESA-N 463.528 5.807 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(Cl)cc3F)cc2)CCC1 1792174849 ASKZEWQQXDVCOO-UHFFFAOYSA-N 493.362 5.390 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=C(C)CC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205939 AVAJYYZIOHEJMR-ZJSXRUAMSA-N 495.664 5.726 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3ccc(C4(NC(=O)/C=N/N5CCCCC5)CCC4)cc3)c[nH]c2c1 1792365210 VAIVHQIUVGRTID-CZLSGWMZSA-N 483.616 5.095 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)c(C(F)(F)F)c1)C2 1793052678 JTVONYZQLXOWDE-BCDXTJNWSA-N 499.371 5.488 30 20 JKED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1796770391 KBMIGKAFIJXJRG-RACFRKFCSA-N 497.639 5.097 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(Cl)c5c(nc4c2)CCCC5)C3)c1 1799603244 UCSVVTAZGWUHMP-KOUNCHBCSA-N 499.014 5.204 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C13CC(C(F)(F)F)(C1)C3)C2 1800505285 WYAQXBPXUBZJFD-GNVJUWQVSA-N 492.541 5.071 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)ccc2F)cc1 1800686033 FWENIUIOQRUCHL-NUNAXRQHSA-N 467.544 5.238 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1802495056 IKAAGPFWNJQJFC-SIKLNZKXSA-N 473.539 5.412 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnc4cccc(Cl)c4c2)C3)c1 1803685001 TXDBEMFTOPTHEU-ZINXYGQCSA-N 472.976 5.081 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cnc4ccc(C(F)(F)F)cn34)CC2)C1 1804862125 IASVJTPEIVOZJN-UHFFFAOYSA-N 490.570 5.190 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc5sccc5s4)CC3)C2)c1 1805328360 QOEKODBXRJVDOZ-UHFFFAOYSA-N 477.655 5.312 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4c3OC(C)(C)CC4)CC2)C1 1805454860 HGEMHCJUEUUKQL-UHFFFAOYSA-N 464.650 5.403 30 20 JKED N#Cc1ccc(CC(=O)N2CCC3(CCCN(C(=O)/C=C/c4cccc(C(F)(F)F)c4)C3)CC2)cc1 1806484296 DASLILYKUOZOMX-MDZDMXLPSA-N 495.545 5.064 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)C3)[C@H]1c1cccnc1 1808148392 LIADAUYVUTZFOU-ISKFKSNPSA-N 475.633 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808544372 TXWJKSVTGATRET-SKVJQKLOSA-N 480.612 5.232 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810271288 FNEJKDSBILTJSY-GGBSJPMNSA-N 469.746 5.355 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1810277779 UWOGTADOSFMTDV-HZTDRZKOSA-N 495.784 5.601 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc3occc3c2)[C@@H]1c1cccnc1)c1ccccc1 1810443197 DUMBASCLXPCWQV-IUAQSZDVSA-N 491.591 5.345 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1810500633 UVAKVBVGHFMHNB-NEKDWFFYSA-N 498.671 5.613 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810957368 ZHHYGYHDNGVJDV-YYDVJCTNSA-N 489.513 5.328 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1811202930 QXHPMGCOFQAXAS-NAKRPHOHSA-N 480.612 5.232 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)CC1 1811734405 XSOAUVUXRRDCFS-INZVZTLUSA-N 476.596 5.018 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc3ccsc3[nH]2)[C@@H]1c1cccnc1)c1ccccc1 1812124733 IYBNRYVMKGURKJ-USZFVNFHSA-N 496.636 5.141 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@@H]1c1cccnc1 1812672037 PJMVZCJLAMFPEC-XMSQKQJNSA-N 496.385 5.238 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCC(F)(F)CC3)n[nH]2)c1Cl 1815021366 XHBNGPPFGHKEDY-SFHVURJKSA-N 475.927 5.066 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](F)c3ccccc3)n[nH]2)cc1C#N 1815559304 WTNQHJJZXAZHJU-DHLKQENFSA-N 489.551 5.085 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCOc3ccc(Cl)cc3)n[nH]2)cc1 1815684515 PWOKPJRUGAOVMM-HSZRJFAPSA-N 491.979 5.100 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=N/N3CCCCC3)n[nH]2)cc1 1819395673 CCICKTZVKLQLCF-PLUOQXPISA-N 498.631 5.163 30 20 JKED Cc1ccc(NCCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)c(C)c1 1819461782 IRBSQFMPYKIZLP-SANMLTNESA-N 498.631 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)[nH]n1 1819555447 HLIYBGLAXSQYJQ-QGZVFWFLSA-N 463.504 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc3cccnc3cc2F)n[nH]1 1820838761 DJXYROQTCGLNDF-QHCPKHFHSA-N 477.584 5.324 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821048350 AYMQEZVFOSAQBW-VWLOTQADSA-N 470.573 5.702 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(-c3cnco3)c2)n[nH]1 1821186460 RUHYEOSJEPMELP-QFIPXVFZSA-N 459.550 5.139 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)c1 1821273638 PPJVDCRJLWVERB-OAQYLSRUSA-N 491.910 5.440 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4c(Cl)ccnc4c3)n[nH]2)cc1 1821382349 CRUSVVNWKNBASU-XMMPIXPASA-N 498.974 5.032 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccccc1 1822041980 TVDXMMPURORFLI-CBXIQKPASA-N 476.602 5.096 30 20 JKED Cc1ccc(C)c(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1822051179 PHPJPURZQHTORG-CPJSRVTESA-N 469.589 5.202 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1822581802 YLPFOMSDCRHQCL-VWLOTQADSA-N 470.573 5.702 30 20 JKED CSc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1822598224 RADIBHNQIKNIEC-NRFANRHFSA-N 494.020 5.205 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)[nH]n2)cc1C#N 1823293571 CKNSOXKXIFSMHM-IBVKSMDESA-N 497.546 5.120 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)cc1 1823682804 DATGRFHOPCAOIE-JOCHJYFZSA-N 491.682 5.701 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824268256 FEVVTKYOFSPIPS-NSOVKSMOSA-N 494.676 5.436 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1 1824352593 JEVQCPBQJDXQQM-DNQXCXABSA-N 489.701 5.046 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1824453014 KKDUGQVHEGUBJO-LIIDCPKUSA-N 499.655 5.359 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1826321828 NKWHGYUNYZPXFR-DEOSSOPVSA-N 480.008 5.066 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826679707 JOYWYPRNKLIAIL-KRWDZBQOSA-N 468.413 5.030 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1826948194 UAUFPTSEXWICMU-FIPFOOKPSA-N 477.693 5.439 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1 1828825460 WWDKRBGSDFXUFZ-CLJLJLNGSA-N 482.665 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2OC)CC1 1829069970 DHIVXDSVDANKBH-HSZRJFAPSA-N 475.073 5.503 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(Cl)s2)CC1 1829401901 NEGLCGAPOPZHDH-IBGZPJMESA-N 480.150 5.081 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1829676550 KOHRMMVSYPAFRC-XMMPIXPASA-N 499.533 5.133 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829904064 OLTLEQQXIFQZDY-MHZLTWQESA-N 490.644 5.695 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1829936124 CIWRNGKRCUFDEI-VWLOTQADSA-N 497.561 5.443 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2C)CC1 1829945386 KQWHZLCHWCSNOG-DQEYMECFSA-N 497.680 5.006 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1829959330 RYBGIVKIGZAUIQ-NDEPHWFRSA-N 478.596 5.167 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830449966 SQVPLQWSPCXVMV-VPUSJEBWSA-N 466.572 5.694 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)CC1 1830515162 DQPUFTNDOJTAGA-QFIPXVFZSA-N 493.873 5.529 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)CCC1 1830683561 PTWCSOAKOFTVAS-SANMLTNESA-N 495.627 5.157 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)ccc1F 1830749849 JQITUZHXNLMUSY-HHHXNRCGSA-N 473.592 5.051 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830993727 NKZQOKQNCPEKAU-RBBKRZOGSA-N 462.059 5.009 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1831372668 GMLIZMRGMYVFCA-UZUQRXQVSA-N 486.454 5.376 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1831446806 IKZHIQMOARJONX-QFIPXVFZSA-N 462.581 5.309 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831852691 ZBJUZCMVAWOXSV-JYFHCDHNSA-N 494.079 5.664 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)C1 1831948126 YIEITBOGMXEGKK-QFIPXVFZSA-N 482.974 5.487 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)c(Cl)c1 1832607925 RPNYNSJAUIBWAX-RUZDIDTESA-N 481.999 5.135 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)oc2ccccc12 1832631862 IORGDEWETLOPGB-FNZWTVRRSA-N 483.612 5.915 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832729240 RKTOULOPIFEUFW-RSXGOPAZSA-N 482.640 5.616 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C)cc3C)CC2)CC1)c1ccccc1 1838416649 GBIXLTNVQAAJGU-LJAQVGFWSA-N 486.656 5.113 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccccc4)c(F)c2)C3)cc1C#N 1846880203 UVUBMOOQQQVAJP-UHFFFAOYSA-N 497.570 5.282 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c(C)c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179090 IGSWSJKVWQNAFH-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccc(F)c(Cl)c1 10756445 RHSGCDGUYQHJNT-UHFFFAOYSA-O 492.821 6.142 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 11128689 OPFPJJHRNHXLCO-UHFFFAOYSA-O 465.467 5.884 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2c(C)cccc2C)cc1 11153188 LJFNYQLKDSESGD-UHFFFAOYSA-O 465.642 6.871 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccc(F)cc1F 11247418 JBVJFOQFULOBNA-UHFFFAOYSA-O 473.568 6.533 30 20 JKED C[C@@H](OC(=O)c1csc(NCc2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 17108051 WDTAIYDHCJCULD-OAHLLOKOSA-N 480.615 5.141 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(Br)cc1 17703862 UDQLPGVTMZKIPC-GFCCVEGCSA-N 474.409 5.858 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 22730316 MEXUNAOWHZZUSW-UHFFFAOYSA-O 461.579 5.949 30 20 JKED C[C@H](Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1)C(=O)NC1(C#N)CCCCC1 24917662 GWERESAVJIIDFF-SFHVURJKSA-N 496.036 5.323 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)CC1 26820731 YTRCMHBOPJRWPF-RMJFEQTRSA-N 484.622 5.202 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cs2)cc1 30798822 YFYVBOZPMZNDOI-UHFFFAOYSA-N 460.584 5.309 30 20 JKED CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 71907197 VRRKZQWXEYBAQE-HXUWFJFHSA-N 488.396 5.151 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4cccc(Br)c4)CC3)s2)cc1 105752961 HTBJWRRJGFLRKW-UHFFFAOYSA-N 471.405 5.135 30 20 JKED C=CCn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1-c1ccccc1F 195542466 SKDOAIZDPCHLNV-UHFFFAOYSA-N 478.372 5.437 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1Br 195664228 WXOPNIOYXSROKN-LLVKDONJSA-N 451.729 5.219 30 20 JKED COc1ccc(CN2C(=O)/C(=C\c3cccc(OCCCC#N)c3)c3ccccc3C2=O)cc1 207614252 AUTLVRDQAOOHHA-ITYLOYPMSA-N 452.510 5.101 30 20 JKED COc1ccc([C@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)c2ccccc2)cc1Br 485430407 VHXWRGNLTOFAEQ-RUZDIDTESA-N 495.421 5.023 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C#N 486017325 MZSXYOREURTANA-UHFFFAOYSA-N 454.555 5.450 30 20 JKED COc1cccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)c1OC 489479526 JZJGTXMOIXQCOS-YQPBSLOJSA-N 481.596 5.751 30 20 JKED N#CCCN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 497463214 RDAVYEVRGBIAIN-UHFFFAOYSA-N 485.565 5.303 30 20 JKED CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 501727426 RBQYUCYAJHLFKJ-UHFFFAOYSA-N 484.618 5.682 30 20 JKED CCN(Cc1ccccc1)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 501743401 DIIAZUQHRDDWPY-UHFFFAOYSA-N 466.585 5.076 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nnc1-c1cccnc1 503735159 MBNVTNOGBJMLJD-UHFFFAOYSA-N 476.631 5.522 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 508265732 CSIOSEHGHZSOAT-UHFFFAOYSA-N 475.520 5.368 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3(c4ccc(Br)cc4)CCOCC3)s2)cc1 508799115 ANTKSDMUSRVDJA-UHFFFAOYSA-N 482.403 5.055 30 20 JKED CCN(C(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1)[C@@H](C)c1ccc(C#N)cc1 509608934 NXFUWEKRMVCGOJ-FQEVSTJZSA-N 461.587 5.199 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 509725219 SDTCAMGMVFVQDB-CMAIMYMYSA-N 455.558 5.361 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(CCc3cccs3)CC2)cc1Cl 510642151 ZIEDIOMWIIZIDN-HSZRJFAPSA-N 465.022 5.449 30 20 JKED CC(C)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 515543709 PODRPTALNOAPHW-ZNWBTVJYSA-N 468.644 5.283 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)Cn3nccc3[N+](=O)[O-])c2C#N)C(C)(C)C1 515840898 YZIUULVQCMBAJZ-PLNGDYQASA-N 479.587 5.511 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 516391460 CTMIWGPXYHUCEI-UHFFFAOYSA-N 490.028 5.031 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OC(F)F 517684800 WVTRYURGJHMKAC-UHFFFAOYSA-N 453.445 5.591 30 20 JKED Cc1sc(CNC(=O)NCCSCc2ccccc2C#N)nc1-c1ccc(Cl)cc1 517740493 IZQXXWZBSGBHNL-UHFFFAOYSA-N 457.024 5.376 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 518158649 FLCUXHYTWLDPJB-UHFFFAOYSA-N 497.542 5.994 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 518603232 KBCKVILVPFFQCE-UHFFFAOYSA-N 453.498 5.256 30 20 JKED Cc1cccn2cc(COc3ccc(C(=O)Nc4ccccc4SC[C@H](C)C#N)cc3)nc12 518667953 QWIXPJMVEMBCOF-GOSISDBHSA-N 456.571 5.726 30 20 JKED COc1ccc2c(C)cc3nnc(SCC(=O)Nc4ccccc4SC[C@@H](C)C#N)n3c2c1 519415731 UGJBXLDJXAIPLF-HNNXBMFYSA-N 477.615 5.182 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)nnc1-c1ccc(Cl)cc1 520697994 AECHRYSYOLNMQU-IRLDBZIGSA-N 487.000 5.052 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1[N+](=O)[O-] 521316136 KAAKMGRCBLZSNQ-UHFFFAOYSA-N 488.529 5.065 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 521692747 FYIBZEXFAHDIAM-UHFFFAOYSA-N 467.491 6.220 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 522421583 HMSODLJUNAVOAQ-UHFFFAOYSA-N 472.520 5.681 30 20 JKED COc1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)ccc1OCc1cscn1 524108623 KVABAKXEDDPUKN-DEOSSOPVSA-N 485.565 5.304 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CC(F)(F)F)c1ccccc1 524438736 TWLCYUABMPSQNW-HSZRJFAPSA-N 453.464 6.261 30 20 JKED CS(=O)(=O)Cc1c(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)oc2ccccc12 588349146 ZAWSKCKKSRMNSE-UIXBVLJUSA-N 494.638 5.392 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)c1 589805599 KWNCVGMPJDMUMU-HSZRJFAPSA-N 479.374 5.248 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)n2)cc1 591861698 BYCRIUDFNYSXJN-JOCHJYFZSA-N 493.592 6.301 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 594580663 NKQRUTOPLSMUOR-UHFFFAOYSA-N 451.958 5.518 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cs1 603623353 IDJHYOTZLSPYDK-UHFFFAOYSA-N 458.568 6.055 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2C1=O 603673350 ICQOBPHCVNJJFJ-JOCHJYFZSA-N 455.901 5.030 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 603758706 BQYHHBVWAGHQEN-UHFFFAOYSA-N 476.455 5.378 30 20 JKED CC(C)c1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cnn1-c1ccccn1 603766740 WCUAOMVOZZBPEH-NRFANRHFSA-N 455.949 5.952 30 20 JKED CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OCC(=O)NC 603829013 MVBYMUJNLKEZAF-LADGPHEKSA-N 490.991 5.393 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)c2)cc1 604139455 LOZMMDZNJKXNSN-AREMUKBSSA-N 499.567 5.377 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 608817814 NXWUNKKRBIVVEU-QFIPXVFZSA-N 482.515 5.346 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)c1nccn1C 609078206 GTUBQENXNYBROB-RUZDIDTESA-N 451.530 5.090 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1(c2ccccc2C)CCOCC1 609079132 KSJOYDIPFHVVMJ-UHFFFAOYSA-N 469.585 5.624 30 20 JKED N#CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CC3)CC1 609330320 ONBRBCJAVINDBL-ZPHPHTNESA-N 456.977 5.093 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 609376520 BRISNEMNQYPICF-AWEZNQCLSA-N 482.407 5.411 30 20 JKED COc1cc(CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C2CC2)ccc1OC(F)F 609437043 MCWOFZYDRQAOIQ-HNNXBMFYSA-N 461.534 5.887 30 20 JKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612806178 WCTUBBRHRFFQIM-RYUDHWBXSA-N 466.344 5.636 30 20 JKED COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)oc2ccccc12 613346728 PAJKYXYFNPGVCZ-HNNXBMFYSA-N 457.338 6.500 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)sc2nc3n(c(=O)c12)CCCCC3 613403769 SIAPDHWAMZCRPW-CYBMUJFWSA-N 468.991 5.246 30 20 JKED CCc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1Cc1ccccc1 613405311 XLMAJFJCXWOSBW-MRXNPFEDSA-N 454.477 5.612 30 20 JKED Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1NC(=O)c1ccccc1F 618303621 NUVYOALYSZUODH-HUUCEWRRSA-N 476.392 5.589 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622092789 DKJTWCRVJBXYRQ-PJXYFTJBSA-N 479.234 5.639 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 726400172 OQPZCEZYKNCBAV-LAUBAEHRSA-N 474.026 5.342 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC3CCC3)C2=O)cc1 726409245 QCHZBETZFOLAFO-QFIPXVFZSA-N 495.004 5.175 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCOC(C)(C)C)cc1 726415296 JMSRPIIFPMQQDN-QFIPXVFZSA-N 483.634 5.249 30 20 JKED CCC[C@H](C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 726532258 CKGXRFBISMUNAH-OAQYLSRUSA-N 482.005 5.158 30 20 JKED CCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(-c3ccccc3)cc2)cc1 726572510 YVHQPBRLRAFWEL-UHFFFAOYSA-O 480.613 5.710 30 20 JKED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1 726731281 HMTDWPGFTQQCNX-HXUWFJFHSA-N 452.963 5.067 30 20 JKED C=CCn1c(SCC(=O)OCc2nc(-c3ccsc3)oc2C)nnc1-c1ccc(Cl)cc1 726802935 BSORONHVUFUPKR-UHFFFAOYSA-N 487.006 5.645 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2C2CC2)cc1Cl 726892280 SLCIIEMGWRBZMZ-LJQANCHMSA-N 494.400 5.133 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC(C)C)cc1Cl 726892334 SXHKMKBKIGKBEF-IBGZPJMESA-N 463.962 5.104 30 20 JKED CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2COc2cccc(C#N)c2)c2ccccc2C1 728002434 DATJAGJWNUTTLQ-UHFFFAOYSA-N 473.529 5.128 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCCC3)C2=O)cc1 728423155 PKHBQQFNQFQQFE-HXUWFJFHSA-N 484.528 5.063 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 728776816 VHEKJHHPORRLQV-XMMPIXPASA-N 470.598 5.172 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCCC#N 728779539 JPAHWZOOFOZZMY-OAQYLSRUSA-N 452.555 5.042 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 729563204 KJNROGBUFOYCSM-HXUWFJFHSA-N 464.566 5.522 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H]2CCc3c(C)cccc32)cn1 729630820 ATJHBOLTKFHCHC-RPWUZVMVSA-N 487.629 5.168 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 729633602 FQDQCMFEJLBGFQ-FQEVSTJZSA-N 499.423 5.857 30 20 JKED CS(=O)(=O)c1ccc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730435476 ABUDKBZTDGDKFI-WYMLVPIESA-N 474.401 5.189 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)N1C1CCC1 730462500 YSMJYGQBVMZHEN-LJQANCHMSA-N 491.585 5.523 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(F)c1 730535183 KVXDBXOFDAPNLZ-SFHVURJKSA-N 465.472 5.299 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1)c1nc2ccccc2s1 730686091 MKCQDMIDLDCZSA-KSFYIVLOSA-N 481.346 6.194 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 730687860 QDTMZVZJAFOPKR-MJGOQNOKSA-N 484.668 5.659 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730963212 IYDJDXKOMPACQI-UHFFFAOYSA-N 489.231 5.009 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)cc1C 731310986 UJTQKHSTZXZJMV-WZONZLPQSA-N 477.586 5.194 30 20 JKED C[C@@H](OC(=O)c1oc2ccccc2c1CSc1ncccn1)C(=O)Nc1ccc(C#N)c(Cl)c1 742950417 VLNCMLWIGMYEDK-CQSZACIVSA-N 492.944 5.224 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1 745626239 KWFPVSANQGZFMT-KHPPLWFESA-N 474.469 5.035 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(CCC)Cc2ccccc2Br)c1=S 746043240 STLMUPIUAHOMDV-UHFFFAOYSA-N 458.429 5.294 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(CCOC(C)(C)C)C1=O 746696349 MOBRGVCKZRQWJY-QFIPXVFZSA-N 483.634 5.087 30 20 JKED COc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2C)ccc1S(C)(=O)=O 747067526 XOJOOLXRIFALGM-FYWRMAATSA-N 472.566 5.156 30 20 JKED Cc1csc(SCc2ccccc2C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 748670605 ZXXSZFFYGGVNMK-UHFFFAOYSA-N 485.638 5.126 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1 750396583 BCNCVTWJALPKTE-WBVHZDCISA-N 480.544 5.629 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CCc3cc(SC(F)F)ccc3C2=O)cs1 750916247 LFMSRDAXOXDIMR-XNTDXEJSSA-N 474.529 6.494 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnc3ccc(Br)cc3c2=O)cc1 767312842 FDKNKNNSBFQDAL-UHFFFAOYSA-N 484.357 5.202 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 837324895 CMIAORMAZOCDHA-VGSWGCGISA-N 479.005 5.765 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N([C@@H](C)c2ccccn2)C1=O 837641620 OLGJIHOHCZKGKR-YADARESESA-N 488.613 5.429 30 20 JKED C[C@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1)C(=O)N(C)CCC#N 844259259 IZTCZKOIIZUVMC-AWEZNQCLSA-N 491.564 5.241 30 20 JKED CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C2)ccn1 856655640 BVJFROPJZLLWGI-NDEPHWFRSA-N 484.600 5.074 30 20 JKED Cc1cc(-c2nc(C)c(C(=O)N3CCC[C@H](C(F)(F)F)[C@@H]3C(F)(F)F)s2)ccc1F 883986138 MBHHXQMIFYPMAZ-SWLSCSKDSA-N 454.411 5.911 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)n2)cc1 915085347 LADVDYKTPLMGLL-XMMPIXPASA-N 452.514 5.362 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC2CCC2)C1=O 915116641 LOIQZCMZYVRDMJ-HXUWFJFHSA-N 475.973 5.248 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)CSCC#N)c3C#N)C(C)(C)C2)o1 915388836 ZGNANYHOKTYTBG-FNORWQNLSA-N 481.599 5.038 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(Br)cc2Br)cc(OC)c1OC 916140339 NKHSQKJOXPFOAP-DAXSKMNVSA-N 456.130 5.134 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1Cl 916219224 SODXMUPDWMIZHS-QHCPKHFHSA-N 458.949 5.444 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)ccc1OC(=O)c1ccc(F)cc1 916276815 JVRISSBDCZAXKR-UHFFFAOYSA-N 482.924 5.136 30 20 JKED N#CCOc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 916409485 ACRZEUWCPPPKAC-UHFFFAOYSA-N 475.961 5.221 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916627920 DAZRCHYRYRFPCB-IBGZPJMESA-N 464.015 6.623 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc2ccccc2n1 916849222 UAUBRWXQTCGVBN-BWKNWUBXSA-N 453.929 5.626 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(COc2ccc(F)cc2)o1 916883898 QHRSKHOHOUMJRF-SFHVURJKSA-N 460.433 5.274 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1 916974147 FDYISFDYCVDALR-LUWBMGCASA-N 475.658 5.652 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc(-c2ccc(Cl)cc2)cs1 916976734 FNXOFJSIUGNOLW-GOSISDBHSA-N 453.951 6.145 30 20 JKED N#C[C@@H](C(=O)CSc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996113 KFIKKMRZUINMHL-ZDUSSCGKSA-N 455.338 6.364 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)CCCC(=O)c2c(C)cc(C)cc2C)nc1C 917366439 YIQGERCFHVBASQ-UHFFFAOYSA-N 469.636 5.102 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(Oc2ccccc2)cc1 917612257 MSHFFUSCQRXXID-UHFFFAOYSA-O 478.597 6.524 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1Cl 917674956 BRWQRBNRABBFFS-XPNTWCBSSA-N 497.064 5.236 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c1 917689622 PMURRHLQHKNTLW-ISJGIBHGSA-N 490.673 5.145 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)ccc1F 917704008 QCDQRSHVIVBCCK-QHCPKHFHSA-N 472.545 5.166 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc(C(C)C)c1 917710926 YRRMKISXMRWITE-XMMPIXPASA-N 479.646 5.147 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1c(C)noc1C 920353659 OYKWQXJFFBTXJN-RUZDIDTESA-N 498.608 5.914 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(Cc3cc(C)on3)C2=O)cc1 920353976 XGWIUBOHXLTKEP-HSZRJFAPSA-N 492.601 5.241 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1c(C)noc1C 920354327 BEOABELBILUTNO-HSZRJFAPSA-N 492.601 5.023 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(Cl)s3)n2)cc1 920674707 GQOORFMBRRNPMG-UHFFFAOYSA-N 475.979 5.027 30 20 JKED Cc1sc(=O)n(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1-c1ccc(F)cc1 920807038 WFXVCAIBWGRBCG-OAHLLOKOSA-N 485.512 5.303 30 20 JKED CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1C 1709895935 KFHHMFCPFJJNBM-GOSISDBHSA-N 478.597 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(Br)cccc4c3)CCO2)C1 1779240050 FGDALMWAQAFOLM-AREMUKBSSA-N 499.449 5.038 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785809117 RUSZWRKOPKILDQ-LSNLESRRSA-N 495.664 5.560 30 20 JKED CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cn1 1787257965 XZDWIQIPTMOEIH-UHFFFAOYSA-N 458.949 5.231 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4n[nH]cc34)cc2)CCC1 1788381949 ODMSXVMYIHMAKO-GOSISDBHSA-N 463.969 5.127 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CCC1 1788435552 IZPBLTWCDVXIDV-UHFFFAOYSA-N 472.665 5.362 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CCC1 1789291770 PBUDELTTWYDPQT-INIZCTEOSA-N 467.566 5.589 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)CCCC#C[Si](C)(C)C)cc4)CCC3)cc2n1 1789508726 DLQQFPSVNRSPST-UHFFFAOYSA-N 487.676 5.935 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cc(C)n1 1790084044 WEXPOBYHTRNMLU-UHFFFAOYSA-N 472.976 5.539 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790089769 BQVOLMRAAUBSQD-QFIPXVFZSA-N 466.965 5.407 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cc2)CCC1 1790138245 VYJPHFUPWHXQSN-QGZVFWFLSA-N 493.995 5.279 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)/C=C/C4CCCC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1790514650 UZLCPEXPHXRXHY-RLMNYEENSA-N 493.648 5.433 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5cn4)cc3)CCC2)c1 1790834955 YMKYPDTZPRIFHZ-UHFFFAOYSA-N 450.498 5.069 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccccc4)cc3)CCC2)c(C#N)c1 1791534006 PYSAFGOEBAWMFQ-RRPNLBNLSA-N 479.580 5.047 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CC3(F)F)CCC2)cc1)c1ccc(O)cc1 1791645784 PRNRRTFHXLVVME-DFBJGRDBSA-N 466.528 5.069 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccnc(C)c3)CCC2)cc1)c1ccc(O)cc1 1791646302 JVZLACHOWVDOLO-JOCHJYFZSA-N 467.569 5.041 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C(Cl)(Cl)Cl)CCC3)cc2)c1 1792126605 GTFUWTFLKNWPNT-CQSZACIVSA-N 464.780 5.432 30 20 JKED Cc1ccn2c(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@H](C)C#N)c5)cc4)CCC3)cnc2c1 1792127211 UARRDXXRJPEWFK-HXUWFJFHSA-N 477.568 5.331 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc(-c4ncc[nH]4)cc3)cc2)CCC1 1792153395 BCZLTYOSHUDYPT-OUKQBFOZSA-N 496.592 5.325 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)n2ccccc12 1799098512 CUMFVWHXGCRJMU-NDBXHCKUSA-N 467.613 5.627 30 20 JKED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(F)c1CSc1ccccc1 1799344375 CASQFUYVULGWCY-ACDBMABISA-N 482.596 5.312 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1802498829 NWBMSFPNAFSNOR-ZCYQVOJMSA-N 479.690 5.489 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccnc3SCC)C2)CC1)c1ccccc1 1804716690 WVUNMTMGNYETOY-DEOSSOPVSA-N 489.685 5.236 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)C1)c1ccccc1 1805623034 IOTIHDISIDLSRI-TYBKAHOSSA-N 478.658 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808976559 OKHHFPCHCDQPCX-FKCDAAJZSA-N 453.586 5.323 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808976563 OKHHFPCHCDQPCX-XFAFFCHDSA-N 453.586 5.323 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1809207670 ZLGKUODGBICCFC-PQNGQFLHSA-N 477.605 5.523 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1809335780 FZKLVMMSPSUOLD-DHLKQENFSA-N 474.630 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1810179185 ZKUOFAJYGILIFW-KKLQWCBXSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(C)cs2)[C@H]1c1cccnc1 1810494097 CDDDWGABYVVMNF-QPPBQGQZSA-N 453.652 5.083 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1812002491 BVBMUDGAYWBCLA-VGOFRKELSA-N 476.404 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCCC)cc2)[C@H]1c1cccnc1 1812024584 MYRKZSUHYRLUOU-ILBGXUMGSA-N 463.622 5.182 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1812589514 GETMBLXZCYCYQQ-OIFPXGRLSA-N 477.608 5.013 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1812902078 OCMVCNYMLSGSMR-JTOATPROSA-N 481.757 5.355 30 20 JKED CCCOc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813868619 OUEGVDDBPCIMOS-RZLJKOCPSA-N 496.611 5.131 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)cc1 1814379657 KEBAYHAEAAVNMV-CDIAOGBUSA-N 493.567 5.366 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)[nH]n1 1814445186 CGHAMJDTSQOKIG-NRFANRHFSA-N 460.582 5.098 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[nH]n1 1814828887 WMUUPSAVVAVOJC-VWNXMTODSA-N 484.044 5.127 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815214448 HGCVUQUHSCNKRY-OXJNMPFZSA-N 482.968 5.220 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(F)cc3F)n[nH]2)c1 1815522323 NNIZHCMZDRCFSS-HCMIAYRWSA-N 489.526 5.334 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccnc4C(C)(C)C)sc3C2)c1 1815912077 JVABOYBAKYGKSY-VQIMIIECSA-N 487.629 5.002 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)ccc1Br 1816696986 XSCUPJHNKRGUEM-OAQYLSRUSA-N 498.425 5.320 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)n[nH]1 1817793835 VJIVKTXVWWXCHF-RUZDIDTESA-N 494.599 5.453 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)cc1 1818813384 WUPIDUDFTZQDSB-BYUVYSIJSA-N 479.540 5.241 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1 1820911364 YYQHKCIGEBVZFX-URVUXULASA-N 499.656 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2OC)n[nH]1 1821845654 RLSGQDXXNPGSGZ-CTNGQTDRSA-N 471.001 5.075 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc(Br)cnc23)[nH]n1 1821925660 XJBFJXUIZNZYMU-MGPUTAFESA-N 496.409 5.239 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)[nH]n1)C(F)(F)F 1821993136 PLPMNLDZJRMXFB-KSEUIEODSA-N 464.513 5.135 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[nH]n1 1822391359 CMHLCADFGHRFFC-DEOSSOPVSA-N 480.572 5.062 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(F)c1F 1823216665 YTRREFMHYFFEDA-IIBYNOLFSA-N 477.515 5.243 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)c1 1823671306 OYLZHGUQYDWMSZ-UZUQRXQVSA-N 499.442 5.563 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c(C)c1 1823684631 BDICNVSUJIHIEV-MHZLTWQESA-N 487.644 5.050 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823719025 CRXKGEJXSXUADL-RPJKTDBCSA-N 475.658 5.712 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1823753423 NZBNSYBNWHLAHV-OAQYLSRUSA-N 487.666 5.299 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1 1823753551 AJXPXRWVDWJMAP-OAQYLSRUSA-N 465.560 5.326 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cnc2OCC)CC1 1823753893 NKCYMLGQXJURRV-JOCHJYFZSA-N 476.061 5.359 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c(Cl)c1 1823939202 VHZPCGWGHYDIMF-QHCPKHFHSA-N 488.390 5.551 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)CC2)c1 1824864981 XEBQZCBMPCKNSS-VANUSSGQSA-N 461.581 5.258 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(C)nc2C)CC1)c1ccccc1 1825866350 IAOQLEQJFIIBJK-JWQCQUIFSA-N 477.674 5.190 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)CC1 1827332058 GLDVJPKQBJKBLY-VWLOTQADSA-N 477.674 5.210 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1)c1cccs1 1828671849 HQJXLXGKHANNGW-OEAKIKGJSA-N 493.654 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1828820890 HAUOVAXVHNYCMG-FPCALVHFSA-N 464.650 5.187 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 1828826643 JPDCYTHXCYLBPN-NOZRDPDXSA-N 461.606 5.343 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Br)c3F)CC2)c1 1830502651 DOYVIBITCJIOHW-JOCHJYFZSA-N 498.396 5.007 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830977315 CNHYNOSXXDHQGQ-SIKLNZKXSA-N 454.636 5.034 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)CC2)C1 1832705882 BMURCIYRWWEEHS-OAQYLSRUSA-N 452.492 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)CC1 1838122250 DFSKGXPVLCOWJP-SANMLTNESA-N 487.644 5.129 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)c2cccc([C@H](F)c4cccc(F)c4)c2)C3)c1 1841260138 FKEKDOSMZMDORE-NDEPHWFRSA-N 499.561 5.206 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(CO)c1)c1ccc(F)c(F)c1 10836567 LKPCMUFZTMYTCH-UHFFFAOYSA-O 468.332 5.102 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 15245537 NXHIIHFVIOQAEY-QHCPKHFHSA-N 491.016 5.110 30 20 JKED C=CCn1c(SCC(=O)c2ccc3c(c2)CCC(=O)N3)nc2scc(-c3cccs3)c2c1=O 21382497 RGNLQNKBNNYRJQ-UHFFFAOYSA-N 493.635 5.232 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)n1 21480430 VOFVNRPLSDESHE-UHFFFAOYSA-N 470.476 5.264 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 21514773 UISDHWKFVUDBLO-UHFFFAOYSA-N 450.511 5.213 30 20 JKED COc1cccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2-c2ccccc2)c1 21731981 LJHIDHQUWJZYCP-FQEVSTJZSA-N 483.597 5.370 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22731196 LLITVMAYOPSXST-UHFFFAOYSA-O 450.628 5.286 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(Br)c2)cc1 22732634 PXOKDDHOKFSSBV-UHFFFAOYSA-O 474.469 6.110 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 23518749 JNTFPSMQBBOCPH-IRXDYDNUSA-N 480.565 5.286 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 23602759 BMEBKZVCNSJMQF-OAQYLSRUSA-N 482.613 5.124 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23602882 GVMHSBHHQBGFOZ-UHFFFAOYSA-O 486.633 6.163 30 20 JKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 23603748 ACDSVPAKAKDRDJ-UHFFFAOYSA-O 468.646 6.178 30 20 JKED CN(c1ccc(OC(=O)CCc2ccc(C#N)cc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 24697361 CNYICIDAVZOMPQ-UHFFFAOYSA-N 470.550 5.075 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 26835039 SNBFCUSFRGQIJK-UHFFFAOYSA-N 468.538 5.876 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793783 JMMQLKUFCVHDBP-UHFFFAOYSA-O 480.629 5.918 30 20 JKED O=C(CCc1ccc(-c2ccccc2F)o1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 33196389 XJMHVXCOUASANI-STQMWFEESA-N 451.382 6.044 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3sccc23)cc1Cl 97547273 YYBJQSLAIOKGBJ-UNMCSNQZSA-N 473.989 5.608 30 20 JKED COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 105259451 RTROJYAYRIOKBQ-HXUWFJFHSA-N 459.933 5.029 30 20 JKED CCOc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])cc1OC 107659152 MWQAZSUFORELFX-LJQANCHMSA-N 465.893 5.563 30 20 JKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2Cl)n1 109338277 WHZZVLKSVZOURZ-LJQANCHMSA-N 497.986 6.144 30 20 JKED Cc1ccc(/C=C\c2nc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n[nH]2)o1 210024590 OFCQGTISWASGIK-IWMPZKFUSA-N 453.593 5.198 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(C)c1 252626809 RGAHOSKAQIGRLY-IBGZPJMESA-N 461.509 5.469 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 303051988 RUJMNWIZNXJNID-RUZDIDTESA-N 480.490 5.447 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 303159189 HKZFLEXFHMTUQK-UHFFFAOYSA-N 460.965 5.453 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)cc2Cl)c1 303236117 ZMPAWLIDPDZMDO-UHFFFAOYSA-N 499.958 5.268 30 20 JKED COc1ccc(-c2ccc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(F)c2)c(F)c1 409777921 XGLKLPFGYWAPGU-UHFFFAOYSA-N 475.495 5.003 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1cccs1 480002570 SSHBHIPVQHFJDD-UHFFFAOYSA-N 457.581 5.186 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3[nH]c4ccccc4c3Br)c2)cc1 486047612 VIWAEAONMCCHGU-UHFFFAOYSA-N 460.331 5.828 30 20 JKED N#Cc1cc(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)ccc1OCC(F)(F)F 490688876 DCJCERVHMMMUHO-UHFFFAOYSA-N 479.462 5.219 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nnc(-c2ccc(C)cc2)o1 501127668 IOIFMNWCLRLGTG-MRXNPFEDSA-N 467.982 5.908 30 20 JKED C=CCN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)Cc1cc(Br)ccc1F 502166216 KUADFGLCKHPCMO-UHFFFAOYSA-N 479.699 5.887 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 502661855 RSPZPHRPGVUWRL-UHFFFAOYSA-N 450.848 5.113 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 504050606 HDUVTNGYYRYADA-LJQANCHMSA-N 468.582 6.452 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(COc3ccccc3)CC2)cc1 508272829 JITVNCDCJPXKJC-UHFFFAOYSA-N 457.530 5.682 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 508386540 YKLNLKHPMFUDIS-UHFFFAOYSA-N 452.470 5.460 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H](c3cccs3)N3CCCC3)c2)cc1 509905619 QVWPXCGSLQMVSG-DEOSSOPVSA-N 460.603 5.352 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1OC 510004205 DKQXZXWRNNTPBO-FQEVSTJZSA-N 465.937 5.343 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3ccccc3Cl)s2)cc1 511548497 VSGBMDOHBQTBGM-GOSISDBHSA-N 455.996 5.724 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 512344522 XWTOPZDMOUIETR-UHFFFAOYSA-N 469.419 5.250 30 20 JKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 513691665 FUSNOYIRBFPPNW-HXUWFJFHSA-N 478.577 5.769 30 20 JKED C=CCn1c(SCCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1cccc(C)c1 515340961 FBMNZSUDWBVXFQ-DEOSSOPVSA-N 474.655 5.889 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)cc1 515653819 PMVOBUVILBCXOJ-UHFFFAOYSA-N 453.542 5.331 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OC(F)F 516225381 VTJTZKJRVFMZDL-UHFFFAOYSA-N 453.445 5.624 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)cc1 516270369 VDVJHICWNVVCJG-OAQYLSRUSA-N 487.541 5.079 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 517474031 KXOZSXGXGOWAER-LZJOCLMNSA-N 491.032 5.314 30 20 JKED CCN1C/C(=C/c2cccc(OCc3ccccc3C#N)c2)c2nc3ccccc3c(C(=O)O)c2C1 518245795 IHHNWMUJFFEPIQ-UCQKPKSFSA-N 475.548 5.760 30 20 JKED CCCN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 519442147 ZQHXMLQDGVQPLC-INIZCTEOSA-N 474.424 5.078 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 520136883 ARVOILDFDYCYBR-UHFFFAOYSA-N 498.461 6.086 30 20 JKED COc1cc(Br)c(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC 521261124 MNSSIGNXPSBNLX-ZDUSSCGKSA-N 464.385 5.040 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccccc1S[C@H](C)CC#N 521811950 ZYUWNRFHWKQYJD-RTBURBONSA-N 465.623 5.220 30 20 JKED N#Cc1c(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)sc2c1-c1ccccc1CC2 524293728 ZTPPXZWORXPNNA-UHFFFAOYSA-N 470.623 5.850 30 20 JKED C=CCn1c(SCC(=O)c2sccc2Br)nnc1-c1ccc(Cl)cc1 567540475 RLJMTRTVDAAZAE-UHFFFAOYSA-N 454.802 5.584 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1C 569253161 ORCZGGOLEAWRTJ-UHFFFAOYSA-N 495.558 5.402 30 20 JKED CC(C)Cn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccccc1F 589822224 VVCGUGFGPPIUHR-UHFFFAOYSA-N 483.638 5.673 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 603533371 WTIRTRDUOZMEDX-UHFFFAOYSA-N 467.472 6.069 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 603616433 CUXAIILYYDICOW-DEOSSOPVSA-N 495.373 5.013 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 603655105 LJPXXTJQPMFFQA-UHFFFAOYSA-N 488.491 5.477 30 20 JKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1cccc(CC#N)c1 603731045 VKURFIWVFBRXDK-UHFFFAOYSA-N 454.961 5.590 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 603764663 QDRGSUPICHKYPR-CYBMUJFWSA-N 456.271 5.053 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)o1 603959781 QIFLRFNERUGKBI-HXUWFJFHSA-N 484.339 5.280 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](OCC(F)(F)F)C3)cc2Cl)cc1 604089794 KTPYADJMHHUMPC-QGZVFWFLSA-N 453.848 5.579 30 20 JKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)CC3 604437617 JJGMISUSNWCVKE-UHFFFAOYSA-N 480.593 5.277 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Cl)c(Cl)c1 604507232 XERNTJZITWDVRB-OAQYLSRUSA-N 483.355 5.648 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 604528764 XXGFNQOYPWUXMK-UHFFFAOYSA-N 478.599 5.046 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)CS[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nc1 608970316 YVSRZIOCZMZFFX-SANMLTNESA-N 477.033 5.214 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 609061406 NXEMHLDXFNZPPP-FGZHOGPDSA-N 469.585 5.307 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 609078541 XOFIDZRKKLNENC-KRWDZBQOSA-N 451.473 5.930 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 622453878 WDVULPSTKGBRAV-VIFPVBQESA-N 476.364 6.219 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 642501855 SDKFVUASBKKKNZ-ROUUACIJSA-N 471.623 5.389 30 20 JKED C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nc2sc3c(c2c1=O)CCC3 670198396 UPMXOVNTGROBAH-UHFFFAOYSA-N 490.532 5.093 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(C#N)c(Cl)c1 726409032 LFDLXKQXAQEPER-NRFANRHFSA-N 462.962 5.345 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(OC(C)C)cc1 726415846 PPZPTDLWOCARQD-JOCHJYFZSA-N 467.591 5.047 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=S)NCc3cccc(C(F)(F)F)c3)c2)cc1 726470069 UCPZQWKJSRVEBF-UHFFFAOYSA-N 455.505 5.837 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(Cc3c(F)cccc3Cl)o2)cc1C 727265340 BOLLZRWHTAWVPJ-UHFFFAOYSA-N 458.946 5.109 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 728422627 JYUGSANOJPPIFQ-KSFYIVLOSA-N 489.988 5.328 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 728423776 QEESRLKYRGXTLO-CYFREDJKSA-N 483.597 5.292 30 20 JKED C#Cc1cccc(N(C)C(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)c1 728481681 KPEAGORVGPYWQA-UHFFFAOYSA-N 456.361 5.356 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2c(Cl)ccc(C)c2Cl)[n+]2cccc(O)c2)N=C1C 728558289 JOWWNIXBXSFOKS-UHFFFAOYSA-O 491.420 5.613 30 20 JKED N#CCOc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 729685398 QSTKXWAUERRBJE-UHFFFAOYSA-N 473.374 5.494 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(Br)ccc2c1Cl 729889370 OJXXKXMHQLLMPL-INIZCTEOSA-N 489.822 6.403 30 20 JKED Cc1cc(-n2c(C)cc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)c2C)no1 730585400 WHDNEWCDDJQEIL-UHFFFAOYSA-N 477.377 5.039 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cocn3)C2=O)c1 730717174 GNLMVPCLPGQABU-FQEVSTJZSA-N 468.966 5.105 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1 730724319 NAXASINYXHLGLV-JOCHJYFZSA-N 474.517 5.127 30 20 JKED CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1ccccc1SC[C@@H](C)C#N 730952933 ZZMVWNNETSKBSH-KRWDZBQOSA-N 494.642 5.324 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)COc1ccc(Br)cc1Cl 731067382 ROEMIYTXBSPGAF-CYBMUJFWSA-N 497.798 5.057 30 20 JKED COc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1 745626240 KWFPVSANQGZFMT-ZHACJKMWSA-N 474.469 5.035 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCCOC2CCCC2)C1=O)Nc1ccccc1F 747042603 GBSDQQSPAHZOBW-JOCHJYFZSA-N 487.572 5.274 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1CC(F)(F)F 748033610 KVNLUSZCWOVHEK-KRWDZBQOSA-N 488.535 5.548 30 20 JKED Cc1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)n1CC(F)(F)F 756806924 RZXRTKAEDYAZGH-CQSZACIVSA-N 467.513 5.053 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(F)(F)F)cc1 799222333 VNXSEHPADGSTQT-GOSISDBHSA-N 495.910 5.141 30 20 JKED O=C1Nc2cc(Br)ccc2C1=NNc1ncnc2scc(-c3ccc(F)cc3)c12 812443128 JEVOMCXJUYWFLP-UHFFFAOYSA-N 468.311 5.028 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 812446005 JGEMMPGHHZYQOL-UHFFFAOYSA-N 451.533 5.151 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccccn1 837301621 MLZJARBMEIXTEB-HTAPYJJXSA-N 462.550 5.251 30 20 JKED COc1cc(C#N)ccc1OCCCc1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1 904474688 WOGBTDPNWZTXBD-UHFFFAOYSA-N 465.513 5.026 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 907675452 YHZIHCSUDGWEJA-CQSZACIVSA-N 489.753 5.164 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCC2CCCC2)c1 913117521 AUHXTGKPBQDEGE-HSZRJFAPSA-N 496.608 5.325 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cc(Cl)cc(Cl)c1 914553766 IQDNUYUJIBDTLT-INIZCTEOSA-N 468.431 5.164 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 914691451 OFQWCVFHEZBWPT-VFNWGFHPSA-N 469.513 5.149 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 915086236 IQYWXJLVEKDSNB-JOCHJYFZSA-N 479.989 5.032 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(C2CC2)C1=O 916207845 NAOWBCMZLGKHLK-HXUWFJFHSA-N 457.983 5.088 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C[C@@H]2CCCO2)c1 916208128 UMBUHLKXDFUJFW-FXAWDEMLSA-N 491.535 5.153 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(C2CC2)C1=O 916216212 RRTBNNRQLWOYGK-FQEVSTJZSA-N 457.983 5.088 30 20 JKED CCOc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)ccc1OCCOc1cccc(C)c1 916310651 BPPYBIVXOYOVRA-UHFFFAOYSA-N 477.586 5.122 30 20 JKED COc1cccc(/C=C(\CC(=O)Nc2cccc(OCC#N)c2)c2nc3ccccc3s2)c1 916411362 YHWOMDXAJMQSPJ-XMHGGMMESA-N 455.539 5.777 30 20 JKED N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc(-c2ccc(Cl)cc2)cs1 916628437 RZHUCIWEBICAQW-CJWRWJRQSA-N 475.839 6.374 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C2SCCCS2)cc1 916885678 AHFJENVJNYIIBJ-KRWDZBQOSA-N 464.584 5.831 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccccc4Cl)cc3)o2)c1 916909276 LNBBDKSVVAVQAC-LJQANCHMSA-N 456.889 5.327 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 916910312 SMYILMAMKCSPIF-JOCHJYFZSA-N 497.938 5.303 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)c(OC)c1 917663607 UJOPTTNMWOXDRW-NRFANRHFSA-N 499.589 5.065 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(F)cc2C(F)(F)F)C1=O 917701899 QYYROIHTDKTXGZ-HXUWFJFHSA-N 489.494 5.266 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2ccc(F)cc2)c1 917778156 MQWUQUVGDPRZCF-UHFFFAOYSA-N 488.968 5.146 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 917806307 XZIABPKWYYWDEQ-BXVZCJGGSA-N 486.597 5.071 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918543997 ALHSLPKULAXYIC-QNAXDZHFSA-N 499.662 5.114 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 920110037 JTYSGLHVAUNIHD-JXFKEZNVSA-N 494.041 6.925 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)n2)cc1 920138880 LOFGKFPWJLDDFT-OFNKIYASSA-N 473.598 5.164 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 920357057 TTZWJNMSLOCZGY-FBILRYNDSA-N 493.673 5.265 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 920461906 DXQBKUCELCTPAX-HTAPYJJXSA-N 485.540 5.001 30 20 JKED N#C[C@H](COC(=O)c1ccccc1NC(=O)c1ccccc1Br)Cc1ccc(F)cc1 920877240 YZNVDBBTIFZUIE-QGZVFWFLSA-N 481.321 5.380 30 20 JKED CCc1cc(O)nc(-c2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2)n1 1525566704 MLKDAFYLGRAECO-UHFFFAOYSA-N 450.498 5.115 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)cnc4O)cc3)CCC2)c1Cl 1785775881 HCVLOMHWBTZTES-UHFFFAOYSA-N 481.339 5.027 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)cc1 1786041729 ZTOVLZAPYVKKJJ-UHFFFAOYSA-N 462.553 5.005 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(F)c(F)c3)CCC2)cc1 1786365916 VXRLLTTVITWQNR-UHFFFAOYSA-N 456.533 5.014 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)CCC1 1787750730 URTXPPRXOSVDRT-UHFFFAOYSA-N 462.537 5.301 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C=O)s4)cc3)CCC2)c1 1788157447 HJHNDULSYAEWGQ-KRWDZBQOSA-N 457.555 5.249 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4ccccc4)n3)cc2)CCC1 1788713400 MBGHUVSZWFPLIK-FQEVSTJZSA-N 470.573 5.297 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ncccc5c4)cc3)CCC2)cc1 1788908637 YVGZLGVLWKBJCN-UHFFFAOYSA-N 460.537 5.362 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC[C@H]4C)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1789213090 WGMFKXSOSOWDGC-PTUXOGIPSA-N 481.637 5.122 30 20 JKED COc1ccc2[nH]cc(/C=C/C(=O)NC3(c4ccc(NC(=O)C/N=C/c5ccco5)cc4)CCC3)c2c1 1789576751 BEJOFRKOPDIUMP-CNKPNACGSA-N 496.567 5.036 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4occc4n3-c3ccccc3)cc2)CCC1 1789994399 ZVRKWZVZTDMLAY-FQEVSTJZSA-N 481.552 5.010 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4n[nH]c5cc(Cl)ccc45)CCC3)cc2)cc1 1790707444 LDBYJNABFQPKHL-UHFFFAOYSA-N 497.986 5.273 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)[C@]5(F)CCCCC5(F)F)CCC4)cc3)c2c1 1790835231 YXUDPZUCDBSNRN-RUZDIDTESA-N 495.505 5.100 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ncc(Cl)cc3Cl)CCC2)cc1 1791296512 XMXMJMUZDUEIID-UHFFFAOYSA-N 454.304 5.348 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCn4cccc4)cc3)CCC2)c(C(F)(F)F)n1 1791901873 UHFRLDJOKSVCPO-UHFFFAOYSA-N 495.505 5.002 30 20 JKED COc1nc(C)ccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168608 QQENAQTXUSIRHJ-UHFFFAOYSA-N 498.583 5.119 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2cccc(C(F)(F)F)c2)[nH]n1 1794715205 KGOZRANDTPRPSA-ACDBMABISA-N 488.554 5.340 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cncc3s2)c1Cl 1796372553 VUZIHQOJBFRASQ-QDMKHBRRSA-N 485.396 5.040 30 20 JKED Cc1c(Br)cc(F)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2 1799314144 DUQONCNLWFGQQK-MSPZUWAUSA-N 498.396 5.089 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CCOCC1 1801583819 GICVTRSJAIRCRF-NUNAXRQHSA-N 473.057 5.019 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4c3oc3ccccc34)[C@H]2c2cccnc2)C1 1802412558 MQPBALXRFYSYNM-FNZWTVRRSA-N 465.553 5.267 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2c2cccnc2)C1 1802419305 ZSWLPYCXPZIVKB-VFNWGFHPSA-N 478.807 5.328 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1802441238 MPLIBVVREYMISJ-QUEIUKDLSA-N 484.625 5.193 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccoc2C(F)(F)F)[C@@H]1c1cccnc1 1802504140 VUARKIPVSHOASU-PKOBYXMFSA-N 463.500 5.005 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2F)[C@H]1c1cccnc1 1802776373 ZEEYMQHOIJPUOY-XMSQKQJNSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1803082671 WXDCMYNOULMUFG-SIKLNZKXSA-N 480.659 5.149 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1803086932 PFDJHLKNIGVLCB-LSYYVWMOSA-N 480.612 5.232 30 20 JKED C[C@H](Sc1ccccc1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1803424634 XCRRXWYHPMLKNR-LXLBXTQPSA-N 498.652 5.209 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1 1804812607 HGGWLCFTIFJCJJ-NBVRZTHBSA-N 468.022 5.221 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@H]4CC[C@H](C(F)(F)F)CC4)CC3)C2)c1 1805334179 YNLACGYGSDVHFP-YHBQERECSA-N 489.582 5.091 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)C1 1806064048 YEQFJMZSGOTDSZ-AREMUKBSSA-N 489.685 5.406 30 20 JKED CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1)c1ccccc1 1806274028 RMXPRQWICMYPQR-FXSPECFOSA-N 487.003 5.120 30 20 JKED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CCCCCCCCc3ccccc3)[C@@H]2c2cccnc2)CC1 1806857058 HUDLUEDOHLNWGW-IXCJQBJRSA-N 486.660 5.365 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@H]1c1cccnc1 1806998487 ONIRCUQOCIQJDZ-JXRJAUPSSA-N 498.671 5.234 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1809096023 SWTKEZODACBDGD-ZEQKJWHPSA-N 470.617 5.250 30 20 JKED CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1810271376 HESOTUMNDHCTFE-BDYUSTAISA-N 475.709 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1810430937 MSSRKUVJGGEGGS-ATIYNZHBSA-N 493.623 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1810505497 WLQTUTQYCFNNQL-DENIHFKCSA-N 474.432 5.700 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1 1811417222 CCYZSSZAOPSMPA-CYFREDJKSA-N 493.394 5.202 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)c1 1811939634 LMOSKMYGFOWWHM-AHKZPQOWSA-N 466.585 5.019 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812219454 YEEHCWDWQFVJBZ-OZXSUGGESA-N 473.642 5.693 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@H]1c1cccnc1 1812219492 ZHRQFYKIKBULOK-FBIATWESSA-N 482.584 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1812439406 AQXAPXCASNMNAA-RQTOMXEWSA-N 480.052 5.463 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1812590430 JTIFGZWBUJJSNI-CMPZQBNXSA-N 464.368 5.059 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)CC1 1812790959 ZOPWUKABJJCJPW-INZVZTLUSA-N 476.596 5.018 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1813953793 MCXXMIWABWDTCC-BDYUSTAISA-N 451.570 5.034 30 20 JKED N#CCC(=O)N1CC[C@H](CNC(=O)CCCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814149121 RBAGVNAYUFNINA-POURPWNDSA-N 488.676 5.755 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2SCC)n[nH]1 1814352073 HRYVTJUYGJWBGX-LJQANCHMSA-N 455.628 5.215 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccccc4c(Cl)c3OC)[nH]n2)C1 1814396283 FLPKGEKQSMVXIL-NRFANRHFSA-N 478.980 5.497 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)[nH]n1 1814445340 JWAVXLXCWNFBIC-RPWUZVMVSA-N 477.653 5.059 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)[nH]n1 1814824492 VRALXHBQEWISTK-GIWBLDEGSA-N 450.558 5.113 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)[nH]n1 1814826984 HDBDUVJQPCQHQF-GOSISDBHSA-N 493.942 5.134 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSC2CCCC2)n[nH]1)c1ccccc1 1815184916 SEMUNGLBLZQJJP-VWNXMTODSA-N 478.662 5.275 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1815655535 RVPLPLPFBFUEQP-HXUWFJFHSA-N 499.036 5.450 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C(C)(C)C)oc3C)n[nH]2)c1 1816462718 DFVULNCRMMVJCF-JOCHJYFZSA-N 473.577 5.408 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)c3ccccc3c2)n[nH]1 1817963850 AVMWJOXOOIQRLE-OAQYLSRUSA-N 479.378 5.045 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3ccccc3)n[nH]2)cc1 1818228339 HHDXGCRLZYJFLO-RUZDIDTESA-N 490.567 5.157 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)nc4ccccc34)n[nH]2)cc1 1818603908 IBTLZOUTTOBILR-HSZRJFAPSA-N 498.974 5.032 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606718 BKVZSKDIYJYHTR-WMZOPIPTSA-N 487.025 5.157 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)[nH]n1 1819384084 CMVMUJKAELUWOS-FQEVSTJZSA-N 487.627 5.099 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2cc(OC)ccc2OC)n[nH]1 1820929059 HUXVFZWITSLPTQ-QHCPKHFHSA-N 496.652 5.434 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(Br)c3)n[nH]2)C1 1821108525 VMHDCGONMHTHEO-GOSISDBHSA-N 477.790 5.098 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)c1 1821126299 PGOOXBLHOPUMSQ-IVZQSRNASA-N 479.943 5.449 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821363956 JJESLBOHRJNITC-BXKMTCNYSA-N 494.542 5.252 30 20 JKED N#CCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc5occ(Cl)c5c4)sc3C2)cc1 1821438402 OHDPANKZPMDMEB-KRWDZBQOSA-N 490.972 5.148 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)n[nH]1 1823348775 PEPWZPKXMXSAOA-TZIWHRDSSA-N 489.661 5.089 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1824960918 PPXJKQRNNCTWPC-LJQANCHMSA-N 455.451 5.146 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827263859 XVSIBGDNVWXENB-WIYYLYMNSA-N 480.099 5.137 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827681094 DTKHAWJCVASWSN-MUHIBDNSSA-N 496.698 5.288 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c(C)c1 1827683614 FYLPKFVKTYUKFC-ZUTVHTERSA-N 494.657 5.046 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C2CCCCC2)CC1)c1cccs1 1827683671 HDMNROHXRWDYGZ-ZGJCWSDFSA-N 468.663 5.243 30 20 JKED Cc1ccc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827684444 BZJZDQJOLJRHHI-YSESTWPTSA-N 464.631 5.037 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)cc1 1828515908 ZQSSPVVTYYBYCE-AREMUKBSSA-N 490.554 5.059 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828547651 ZRTMESCRYJDBJO-JXFKEZNVSA-N 450.695 5.151 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1 1828826998 QGJLKIMAINAEMP-FPOVZHCZSA-N 463.544 5.102 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)[nH]c2c(Cl)cccc12 1828996645 NOCDIYXBXRVINY-DRQPSCMVSA-N 495.023 5.075 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)cn2)CC1 1829182075 FMXICXWDSJLYLR-NRFANRHFSA-N 476.459 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)CC1 1829454865 JHGQTWJMZPBKPN-FPOVZHCZSA-N 464.437 5.390 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562833 JUGHNKYPZAMOGO-HOFKKMOUSA-N 483.656 6.052 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)CC1 1829589826 RTOXWOIQERAMQS-VWLOTQADSA-N 456.590 5.039 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829954517 GPILCNLZZLZELX-NRFANRHFSA-N 473.495 5.026 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1830016569 IBNRSHKFSSZXKK-NDEPHWFRSA-N 478.596 5.167 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1830455428 BLQHPVKAQUVRJW-FTJBHMTQSA-N 477.649 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1830678820 TXMVRRNWUUXGCC-VWLOTQADSA-N 462.638 5.302 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1830720938 NWMOVSXEYZNSND-HHHXNRCGSA-N 489.591 5.033 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)[nH]c2ccc(Br)cc12 1831059899 LKORHPAYXOTHGN-OAQYLSRUSA-N 499.453 5.022 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831060908 LGGCUSBZXBHVQY-LJQANCHMSA-N 491.560 5.254 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1831506577 JEMMMTIPTMQFQL-ZBLYBZFDSA-N 475.608 5.053 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)S)CC1)c1ccc(Cl)cc1 1831836706 LBEJEZULUMLZHZ-YHYVQYDKSA-N 451.076 5.018 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](C#CC)c2ccc(O)cc2)CC1 1831924751 VDZLYJFKPZOHAT-RZDMPUFOSA-N 476.661 5.277 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1 1832633293 GEAHJWWOJFWJIM-KOSHJBKYSA-N 481.999 5.653 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634681 TXQYLAIMIPRLBM-KDYSTLNUSA-N 468.601 5.041 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)c1ccc(Cl)cc1 1832781033 PYGQTVLDPXLGBY-RPWUZVMVSA-N 470.057 5.393 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)cc1 1832986397 VVYKCKSQJRTDSR-QPTSNOEKSA-N 495.667 5.232 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)cc1 1838766640 SPVNGPXCCGDMOY-GOTSBHOMSA-N 487.644 5.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)C1 1841565438 ZVWKGUNOCLKHGB-JOCHJYFZSA-N 489.701 5.046 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)c1 1844725056 CLCGIPGBRWPOEI-UHFFFAOYSA-N 492.019 5.011 30 20 JKED C=C1CC(C(=O)N2CC3(CCCN3C(=O)CC3CCC(c4ccnc5ccc(F)cc45)CC3)C2)C1 1845048511 PULQZXGLDULNDN-UHFFFAOYSA-N 475.608 5.207 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(O)c1)c1ccc(Cl)cc1 11113106 QZONYXFLBGNAOX-UHFFFAOYSA-O 465.954 5.699 30 20 JKED CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccccc2Sc2ccccc2C#N)cs1 11459840 DLVVTNLYJPUSLH-UHFFFAOYSA-N 485.590 6.208 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 20073235 SHJYJRPIECTQDH-UHFFFAOYSA-N 497.665 5.401 30 20 JKED CCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2cc(Cl)ccc2c1=O 22062868 JHSPURQDWSKMHI-OAHLLOKOSA-N 472.973 5.026 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)nnc1-c1ccc(F)cc1 22162704 CDZBBQLBVLGWCD-KBPBESRZSA-N 481.622 5.546 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cc(C)ccc2C)cc1 22729713 NCLIIGOMYJYDLP-UHFFFAOYSA-O 462.683 6.501 30 20 JKED N#CCc1ccc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 26383898 DZARJDZJDWPNOC-UHFFFAOYSA-N 457.433 6.083 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)nnc1C1CC1 36661752 PEVPHUOKBJBABI-LJQANCHMSA-N 473.558 5.151 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2sccc2c1=O 36800009 FXUKABAWROPUCT-UHFFFAOYSA-N 459.902 5.047 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 36807118 PHSGQOQKXNYDAX-ASXFNGKXSA-N 455.599 5.448 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nc2sccc2c1=O 36852365 OHLZYSUQMWVLID-UHFFFAOYSA-N 472.592 5.217 30 20 JKED COc1ccc(-c2nc(SCc3cc(=O)oc4cc(C)c(C(C)C)cc34)nc(O)c2C#N)cc1 71822022 MFYIPIFZKKQLFZ-UHFFFAOYSA-N 473.554 5.560 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 72074615 NKLGLGAOYZLSGD-HNNXBMFYSA-N 455.436 5.817 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 107612343 IUZXXYNTOJDTQI-UHFFFAOYSA-N 480.568 5.237 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OCC)c(OC)c3)n2)nnc1-c1cccnc1 302700767 QDCJUEKQUJVONH-UHFFFAOYSA-N 465.604 5.349 30 20 JKED Cc1nn(C)c2ncc(/C=C3/CC(c4ccccc4)C/C(=C/c4cnc5c(c4)c(C)nn5C)C3=O)cc12 302983073 DMIZSEZLEQNMSE-OASZVOALSA-N 488.595 5.481 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(C)c2I)cc1 303139778 QWPDDJRJUHNDJL-UHFFFAOYSA-N 484.293 5.525 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 303369090 RZAUCSMRFSAENL-SFHVURJKSA-N 469.566 6.261 30 20 JKED Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)N(CCC#N)Cc2cccnc2)c1 490181860 JNSLXITZPVMHHA-UHFFFAOYSA-N 490.629 5.044 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C(C)C)s1 498423284 BDVKDTRACZFICO-UHFFFAOYSA-N 471.630 5.625 30 20 JKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2)C1 499187243 DJHNACKUEHOBKO-NTKDMRAZSA-N 487.560 5.720 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(NC(C)=O)ccc1Cl 502665651 GSIXCLAOVQMTSG-UHFFFAOYSA-N 454.727 5.420 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1Cl 503584588 HQEFKEHCTRKHQI-SQJMNOBHSA-N 493.051 5.049 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OC(C)C)c2c[nH]c3ccccc23)c1OC 505659512 JNNSHNOBJHIHHC-QHCPKHFHSA-N 498.583 5.798 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1I 508604622 PIUUJCDUXLOQEC-UHFFFAOYSA-N 499.264 5.424 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 509105092 BRARYCHTTQICOI-SDUSCBPUSA-N 453.542 5.132 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(CCc4ccccc4)CC3)s2)cc1 510246466 RYBCVRYMXPWYCP-UHFFFAOYSA-N 463.632 5.579 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 510282169 HZLNVFCQGPWJGD-QGZVFWFLSA-N 475.570 5.287 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 510692315 BCIJBXRFXRFXHJ-UHFFFAOYSA-N 482.584 5.383 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511436472 FWJUWSPBAUZAGO-AREMUKBSSA-N 485.584 5.553 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3cccc(Br)c3)c2)cc1 511580653 NGPJGPLWEHSAFM-RUZDIDTESA-N 490.401 6.463 30 20 JKED C=CCn1c(SC[C@H](O)COc2ccc(Cl)cc2Br)nnc1-c1ccccc1F 513509287 QPGAEMLEMWLBMZ-CQSZACIVSA-N 498.805 5.218 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1csc(COc2ccc(F)cc2)n1 513647841 MLTVZUJGJXLAEC-UHFFFAOYSA-N 491.573 5.255 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc12 514363255 RBQWLLWODQSYOT-RTWAWAEBSA-N 477.678 5.004 30 20 JKED C=CCN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 514517465 YMXFNPGHFDSCCI-UHFFFAOYSA-N 497.407 5.606 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)s2)c(C(F)(F)F)c1 515298540 MRJMBLNDSVXMOM-CABCVRRESA-N 461.431 5.932 30 20 JKED COc1cc([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OCc1ccncc1 515450643 RPKDTTNJJPUHNC-IBGZPJMESA-N 483.524 5.204 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 515767959 CGDSWANLHUMZKT-UHFFFAOYSA-N 456.575 5.092 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccco1 516308942 VJIDGROLFRLNPJ-UHFFFAOYSA-N 455.470 5.013 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 517518570 LTBOLLQBQZCTMK-UZUQRXQVSA-N 457.555 5.275 30 20 JKED CCOc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc1 517529523 CSMUQMIYBUIABH-UHFFFAOYSA-N 484.556 5.176 30 20 JKED C=CCN(C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 517529807 VPVXVCTUYQCSML-KRWDZBQOSA-N 466.973 5.418 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 518119199 VHAPGHBMBORNMC-GOSISDBHSA-N 484.581 5.099 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cc2)c1 518230791 PMIIYLHSGMXLDB-UHFFFAOYSA-N 459.461 5.403 30 20 JKED Cc1cccc(COc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c(C)c2)c1 518488380 XDPOIIUWMRCAQK-UHFFFAOYSA-N 456.590 5.350 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnc1-c1cccc(C)c1 519029711 RLDMDHTWXWGGEI-UHFFFAOYSA-N 469.570 5.668 30 20 JKED C=CCN(C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 519514828 SVYDPXRFXHHENK-KGLIPLIRSA-N 463.344 5.128 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc5c(c4)OCCO5)n3)n2)cc1 520942378 AQNBTOCGYZECHA-QGZVFWFLSA-N 459.552 5.503 30 20 JKED Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 522410765 KVWHIUPMMGQRBI-UHFFFAOYSA-N 478.955 5.400 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 522871053 AWMLSKFZGMSACP-UHFFFAOYSA-N 458.335 5.006 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2F)c1 524454605 MNKXCKQIRPHSNL-UHFFFAOYSA-N 457.335 5.445 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 553665191 OLUDQFZNLAPFRR-KRWDZBQOSA-N 464.557 5.695 30 20 JKED C=CC[C@@H](C(=O)N1CC(CN2CC(C)(C)c3ccc(-c4cnn(C)c4)cc32)C1)c1ccccc1 572663375 NGLCRAXWRHJLTP-RUZDIDTESA-N 454.618 5.003 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C 603601397 YNQJZPXJQAUSAH-UHFFFAOYSA-N 474.517 5.789 30 20 JKED Cc1ccc2nc(COc3ccccc3C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cn2c1 603669883 JEDMMDOILNOQLF-UHFFFAOYSA-N 479.565 5.393 30 20 JKED COc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 603758700 BNVOFKNHQJPSGQ-KRWDZBQOSA-N 487.846 5.766 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 603807141 SJFCOKOXGZTZOV-UHFFFAOYSA-N 495.671 5.094 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 603894813 RMDWQROCEIIVCJ-UHFFFAOYSA-N 461.635 5.145 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 604003669 RJGTWKOLCPHBLI-OAQYLSRUSA-N 482.609 5.796 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccc3)cn2)c1 604227096 XVYWQLSDEUAWGQ-RUZDIDTESA-N 496.954 5.438 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 604363854 DASOYAOCUGVCRG-UHFFFAOYSA-N 466.541 5.439 30 20 JKED O=C(CSCc1ccc(Br)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604517479 YIPHMPIXQYZGSJ-PJXYFTJBSA-N 496.286 5.847 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Sc4ccc(Cl)cc4)cc3)CC2)nc1 608995330 JVOAHUNTWJTZFL-UHFFFAOYSA-N 463.994 5.548 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 609080615 KBJSPRJWMUSOPN-NRFANRHFSA-N 482.584 5.889 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 609388694 CVQSGEXUMPJCDX-AWEZNQCLSA-N 492.548 5.879 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 609404534 DRMXUGRNUQLARP-HXUWFJFHSA-N 479.499 5.446 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 613404453 ROLQLVXQEHTHRC-INIZCTEOSA-N 484.304 5.487 30 20 JKED O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 615491951 BMHYAPZDDDFWLX-UHFFFAOYSA-N 464.978 5.079 30 20 JKED Cc1nc2c(cc1C(=O)[C@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)c(C)nn2C 642281812 RSNWYOFMBMJEQL-INIZCTEOSA-N 456.358 5.506 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 645079447 IZIQQXQWHJBOGV-GOSISDBHSA-N 471.026 5.741 30 20 JKED C=CCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2sc3c(c2c1=O)CCCCC3 678159442 UINYWHZUPUKTAT-UHFFFAOYSA-N 474.677 5.035 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2cccc(SC)c2)ccc1Cl 726150523 ADXGDICTYQNPFO-UHFFFAOYSA-N 487.046 5.720 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 726317904 FSWNNTRSXHNBPV-LJQANCHMSA-N 452.445 5.332 30 20 JKED COc1ccc(OC)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)c1 726400396 ZVUFRYORMRJOSB-QHCPKHFHSA-N 493.585 5.074 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 726401609 UEMYKAZCDGPFCY-KKSFZXQISA-N 492.016 5.481 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C#N)c(Cl)c1 726407950 WFSFMOBGKIFHCE-LJQANCHMSA-N 489.384 5.020 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)S/C2=N\[C@@H](C)c2cccs2)c1 726415250 GMMBNXCAWBPZJG-CWHVSTADSA-N 493.654 5.024 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CC1)c1cccs1 726420829 JJNYBFOGNNFINL-PGJBSSEZSA-N 478.437 5.063 30 20 JKED CCOc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc(Cl)c1OC 726626728 KMFGVVBBMVYLJO-CAOOACKPSA-N 465.383 5.678 30 20 JKED Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(Cl)c1 728109658 BXVANGNGMGYAST-MRXNPFEDSA-N 452.894 5.185 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccc3ccccc3c2)no1 728424727 HCDODRPRJCWWMX-XMMPIXPASA-N 495.564 5.168 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 728427904 UVHUVPXGEKIWGZ-UZUQRXQVSA-N 487.560 5.122 30 20 JKED CN1C/C(=C/c2csc(-c3cccs3)n2)C(=O)/C(=C\c2csc(-c3cccs3)n2)C1 728438410 WLUHMBZQTICIEV-SFGFDRCGSA-N 467.666 6.038 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(C#N)cc1 728474850 FYVZHAHNWIOOHA-UHFFFAOYSA-N 451.470 5.655 30 20 JKED C#Cc1cccc(N(C)C(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)c1 728537335 NOKDOIRUSPEZJS-UHFFFAOYSA-N 459.354 5.052 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Oc2ccc(NC(=O)c3sccc3C)cc2)cc1C 729216837 NKUZLAVRAWARID-UHFFFAOYSA-N 484.581 5.922 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ncccc2C)cc1 729634705 RJFIUKBFTGAHEQ-HSZRJFAPSA-N 458.587 5.167 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)OCCO3)N(C2CCC2)C1=O)Nc1ccc2ccccc2c1 730460608 CJFDKRLAROFXBQ-DEOSSOPVSA-N 487.581 5.124 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc(-c2ccccc2)cs1 730687290 MXBWSIKJYWPKES-OAHLLOKOSA-N 457.502 6.248 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(C)c2C)s1 730714384 XQCNJVLVQVKBJY-FXAWDEMLSA-N 479.631 5.185 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730944925 IFRFGVMOESRJGA-KSFYIVLOSA-N 480.540 5.390 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 731106252 UXFJVJDNFVNWMC-HHHXNRCGSA-N 473.548 5.448 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)cc1 731305337 JSRKYUSUGOKLNC-GAJHUEQPSA-N 477.586 5.139 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)CCc2ccco2)c1 731308795 PPJMVQSULZSESN-WZONZLPQSA-N 477.586 5.275 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cc(Cl)cc(Cl)c1 731309041 PJLCCMMKQNWEHT-LJQANCHMSA-N 491.400 5.353 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(Br)s2)cc(I)c1OC 745020639 GCUJMVIZPWGTSA-ARJAWSKDSA-N 479.133 5.029 30 20 JKED N#Cc1ccc(CNC(=O)COC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 746573698 MVCIYVZDLGMOLJ-UHFFFAOYSA-N 453.734 5.206 30 20 JKED C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)-c1ccccc1C2)C(=O)Nc1sc2c(c1C#N)CCC2 746633843 ISVITUIAVOKABK-MRXNPFEDSA-N 484.577 5.213 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 746696622 RRPGNAJSNVNRMV-DEOSSOPVSA-N 493.604 5.756 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 746942588 KLBGVJLDWBVTBC-HHHXNRCGSA-N 495.627 5.096 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)c2ccccc2)c(Cl)c1 747155241 SZXGJHMPGFLBQK-PDGQHHTCSA-N 450.878 5.476 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O)Nc1cccc2ccccc12 747600029 MQUXINPQGKFLPK-QFIPXVFZSA-N 486.622 5.499 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)ccc2OC)cc1 748292212 HGLWBYNJSMUTRX-UHFFFAOYSA-O 472.634 6.390 30 20 JKED COc1cccc(O)c1C=Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 812395948 JAIOOTYNWVLLHC-UHFFFAOYSA-N 451.331 5.259 30 20 JKED COc1ccc(-c2nc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)nc(O)c2C#N)cc1 824935964 PYQKTWZCCWNUDN-HSZRJFAPSA-N 486.528 5.341 30 20 JKED COc1cc(/C=C\C(=O)c2ccc3c(c2)CCO3)ccc1OCC(=O)Nc1ccccc1Cl 834874654 MUKDYOFAPRVGNH-TWGQIWQCSA-N 463.917 5.197 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C1CCN(C2CC2)CC1 837302397 WORLMAJVSKDUBD-HSZRJFAPSA-N 497.064 5.236 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(C3CCN(C(C)C)CC3)C2=O)cc1 837385007 ZHINGBNHNZBHSG-XMMPIXPASA-N 478.662 5.137 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)c1C 837401715 JOGWYIBCVSOAIH-XMMPIXPASA-N 478.662 5.137 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N([C@@H](C)c2ccccn2)C1=O 838232033 KEDLHLNWCRGENF-GAJHUEQPSA-N 492.576 5.259 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 838298683 NTQIHLQXUTWGIE-MWTRTKDXSA-N 494.567 5.644 30 20 JKED N#Cc1cccc([C@H]2NC(=O)N(Cc3cccs3)C(c3cccs3)=C2c2nc3ccccc3[nH]2)c1 840200062 XSAPCSJAZIRBFI-XMMPIXPASA-N 493.617 6.393 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C(C)=O)c1 871597652 UDPCFAVYWGWKAU-UHFFFAOYSA-N 498.988 5.185 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C)c3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 914445750 DDJFORSSUWMFAV-NBYOPXRUSA-N 467.569 5.237 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc(F)c3)C2=O)c(OC)c1 914772837 PUBOMHSSIRQSNI-QHCPKHFHSA-N 493.560 5.003 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 915085731 ATDRSDDLVJRJJU-DEOSSOPVSA-N 453.929 5.458 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2ncnc3c2cnn3-c2ccccc2)cs1 915963210 WFCBDPDEJINNHK-UHFFFAOYSA-N 488.964 5.056 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCCC3)C2=O)c(OC)c1 916210307 ADWYRWUBLSQNCQ-OAQYLSRUSA-N 488.009 5.260 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)c1 916214154 LHEJSWMTAIKYNI-FQEVSTJZSA-N 469.950 5.102 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 916915624 MMJCOPNOECDDFB-DEOSSOPVSA-N 453.542 5.551 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc12 916936336 HSHSLYCOQHPXFB-QGZVFWFLSA-N 466.925 5.208 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2=Cc3cc(Br)ccc3OC2)cc1 916948445 GSJZGSPRANOWIN-XOBRGWDASA-N 453.336 5.086 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042688 FSDKRQWQQSWSTN-GOSISDBHSA-N 472.467 5.676 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1nc2cc(Cl)ccc2s1 917047443 XEIZNONVTKLJNH-LBPRGKRZSA-N 458.977 5.139 30 20 JKED CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CC2 917559792 CLYYKKKLJUFJMV-SFQUDFHCSA-N 464.543 5.427 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 917636794 UHMXXINGFVUWPN-AWEZNQCLSA-N 495.832 5.626 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cccc(C)n2)c1 917666375 APSXSLVEFILLGB-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@@H](C)c2ccccn2)C1=O 917697810 PSYWXDLQLIJHIS-UWJYYQICSA-N 452.624 5.157 30 20 JKED Cc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C#N 917702295 FIXIDYQODLAJLD-QHCPKHFHSA-N 490.535 5.305 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920142657 RBMUKEIWCYGBBW-FQEVSTJZSA-N 454.580 5.841 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n1 920329064 YFSNTTIVNHJBBD-CYBMUJFWSA-N 464.330 5.091 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1514865058 RNHLAQSGACYJFT-XMMPIXPASA-N 451.929 5.249 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ncc(Br)cc3C)cc2)CCC1)C(F)(F)F 1787566805 DJYLUTGNQOOIHJ-UHFFFAOYSA-N 482.300 5.019 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1788789797 PYUMBLJMJXWYJA-UHFFFAOYSA-N 485.437 5.679 30 20 JKED CCc1oncc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508728 DPWVHUHIZGUIDE-UHFFFAOYSA-N 451.643 5.036 30 20 JKED Cc1cc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)no1 1789574745 NONUYZAVKGRCIM-DXRVJIQQSA-N 454.530 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789625704 QAALHJUFEYSUJJ-NRFANRHFSA-N 497.680 5.760 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)cc2)CCC1 1790006878 QFHFPLJZDRFYMJ-UHFFFAOYSA-N 462.553 5.391 30 20 JKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1)c1ccccn1 1790084207 ZUGNACLLEPTLGM-QGZVFWFLSA-N 458.949 5.158 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(Cl)cncc5s4)CCC3)cc2)c1 1790144423 JMWHGXHKURHFRS-UHFFFAOYSA-N 475.961 5.211 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc(F)c(F)cc5[nH]4)CCC3)cc2)c1 1790257245 NXVSNBYDYSHXRN-UHFFFAOYSA-N 470.479 5.379 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CCC2)cc1 1790509723 SKPRANPEGINRAH-UHFFFAOYSA-N 485.584 5.247 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ncccc45)CCC3)cc2)ccc1F 1790520147 HGMRZIJILRKVOU-UHFFFAOYSA-N 478.527 5.236 30 20 JKED Cc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)n1 1792122606 CNKGPJOQYXVJMU-LJQANCHMSA-N 452.558 5.008 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4CCSCC4)cc3)CCC2)ccc1Br 1792354092 SJVCNEDIGQAOIC-UHFFFAOYSA-N 498.446 5.212 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccc(Cl)cc1)c1cc2occc2n1-c1ccccc1 1792944472 UFRNNDYEUPRRPM-VILGAWFOSA-N 497.982 5.180 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2sc(C)nc2c1)c1ccccc1 1797561816 ULPBPBGTPNIJSV-KIHHCIJBSA-N 471.626 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1ccc(Br)cc1)C2 1798592495 VTPOTAPMWNKTJG-WKCHPHFGSA-N 491.470 5.239 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(Cl)cccc2Cl)C3)c1Cl 1799303163 HEDXJQIYHYVFFT-QDMKHBRRSA-N 462.764 5.084 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ccccc2c1Br 1801095749 HKWRXEOQJUAVSP-WKCHPHFGSA-N 481.434 5.623 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1802491074 FTDLJVHYGLLHSB-MOUZIVPDSA-N 479.587 5.449 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)C3)c1 1803685244 YVXMVMVCLQAIJG-PKWKGPSUSA-N 497.561 5.474 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C1 1806015962 GWWFREWFLZKTCD-UHFFFAOYSA-N 476.617 5.307 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@H]1c1cccnc1 1809201290 AHGHAESHFMJMSW-MHECFPHRSA-N 480.559 5.153 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc3sccc3[nH]2)[C@@H]1c1cccnc1)c1ccccc1 1810019387 IREJENQDAJYKML-KHVXQDHOSA-N 496.636 5.141 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc3[nH]ccc3s2)[C@@H]1c1cccnc1)c1ccccc1 1810442926 BRNQDOPCWYYAQR-QSEAXJEQSA-N 496.636 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1810504422 ZNTPTFWGEXNORR-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2ccc(OC)cc2)[C@@H]1c1cccnc1 1812420970 AVZJRRSIVUMLDJ-INEVDKGJSA-N 475.633 5.192 30 20 JKED COc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1812810104 XTNHIBVTDACQRY-WNCULLNHSA-N 490.648 5.278 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1813825622 GDVGBWAKYULVIA-NFBKMPQASA-N 454.014 5.355 30 20 JKED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)[nH]n1)c1ccc(Cl)cc1 1814659198 ARZKQYBRHYQDST-HJPURHCSSA-N 493.970 5.112 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814736935 QJMXHSCWYNPBNA-QHCPKHFHSA-N 487.604 5.419 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)n[nH]1 1814897334 GTLITQATBLNFND-IBGZPJMESA-N 489.661 5.088 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938416 MQHRYFUUBQNDJV-OAOOKAIFSA-N 488.032 5.296 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1815207963 QLIURWDJOGVINT-SFHVURJKSA-N 499.826 5.659 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1 1816826024 UQNXQTORZICRMD-HRFSGMKKSA-N 491.595 5.739 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COCc2ccc(C)c(C)c2)n[nH]1 1818136382 CLAKHEDNAWDLEH-XMMPIXPASA-N 464.610 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3[nH]2)n[nH]1 1818988192 STWGXYVGAYOAQO-KSFYIVLOSA-N 467.520 5.244 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(F)(F)F)nc3ccccc23)n[nH]1 1819192919 IVBJIZFBPFPXLY-HXUWFJFHSA-N 483.494 5.086 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)[nH]n1 1819305639 MITMSCSBGJFMFY-MAUKXSAKSA-N 464.488 5.404 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)[nH]n1 1819310989 HDPQKZCMVASGPZ-JXFKEZNVSA-N 456.974 5.146 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820148775 FPIMCJRNLGBTGU-RDPSFJRHSA-N 497.599 5.226 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1cccc(C(F)(F)F)c1F 1821087394 ZZDGAYURSBERRF-OAHLLOKOSA-N 494.411 5.606 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)n[nH]1 1821087759 IFLDFKPNUSYBCL-HNNXBMFYSA-N 474.405 5.085 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126907 BFBZVDYKFZFGRP-SCLBCKFNSA-N 499.921 5.189 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)[nH]n2)ccc1Br 1821242713 OPLZMMNVNODFPJ-MAIVGLDJSA-N 496.409 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3c(F)c(F)ccc3c2)n[nH]1 1821548233 LHTBHICFHBZSAA-WIYYLYMNSA-N 479.531 5.310 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3cc(Br)cnc23)n[nH]1 1821548875 DSXBFMIZOOJXKE-YWZLYKJASA-N 496.409 5.239 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)n[nH]1 1821788749 VIBSAXWXZUBVAQ-RJWMVNQGSA-N 491.680 5.524 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1821921931 YSHRNSQYJMWQAF-VGSWGCGISA-N 461.541 5.129 30 20 JKED CCCCC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1822006196 ZGIDMWLCGLZDIE-NYQNCTAXSA-N 456.612 5.119 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1822581441 RROBHOZQNCJSEB-QFIPXVFZSA-N 486.657 5.278 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)cc1 1823379824 OPUHXLCBYSSJNT-XMMPIXPASA-N 467.573 5.385 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1823811163 CNGQDIDFJYZYMM-XMMPIXPASA-N 483.534 5.053 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1823885278 NANAFUYOSABZQN-XMMPIXPASA-N 459.590 5.262 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1824500019 BWJCGIXYKOTZEM-VWLOTQADSA-N 484.040 5.104 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnccc2C)CC1)c1ccccc1 1825222757 FBMATCZKXUUDPS-WDYNHAJCSA-N 485.672 5.140 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)CC1 1826201672 GMQLSEFYFZCZJU-SFHVURJKSA-N 469.573 5.164 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccsc3)CC2)c(Cl)c1 1827104506 WEGKNFARLUPEIJ-QHCPKHFHSA-N 470.038 5.139 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827344342 RZISOSKXBHLZGZ-WZONZLPQSA-N 470.013 5.441 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828152166 AAZMQRFFLHSCBP-SQJMNOBHSA-N 468.041 5.823 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)CC2)c1Cl 1828334771 WPSOMACSPMWJRL-FQEVSTJZSA-N 481.021 5.302 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)cc(Cl)n2)CC1 1828826853 NTFZOWVPLVRLQJ-FPOVZHCZSA-N 464.437 5.390 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828828030 BRVSFUPWFBQVRW-LGVFNWMJSA-N 454.577 5.292 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 1828828570 MAZGUHQTOJLCRN-KNQAVFIVSA-N 463.544 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1828829725 GSFVDMMIEQWAQH-UGKGYDQZSA-N 469.029 5.218 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1828889283 LBMVATKSSSVZLI-NHCUHLMSSA-N 481.464 5.108 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828907397 ANACUANICWCGDP-DQMLXCSESA-N 479.741 5.156 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830361268 LRMNNNYUUQAFTE-DEOSSOPVSA-N 481.999 5.135 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830363098 QNFCSQUHFYNBIU-RUZDIDTESA-N 493.623 5.372 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830730389 XGCFUMGYEZZFDU-QHCPKHFHSA-N 471.573 5.044 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 1830730511 HUFAJXGEBLHDAB-HYBUGGRVSA-N 483.653 5.082 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1830769821 WWUYYNKBXKOLKX-DHLKQENFSA-N 475.555 5.018 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c(F)c1 1830773957 VLKZJNUUVWEELV-AREMUKBSSA-N 477.580 5.032 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830979118 SWZFLUYZSQRMQG-XUZZJYLKSA-N 468.663 5.016 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831208910 PUXSMUMWZYHHRZ-XRKRLSELSA-N 473.661 5.056 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831728119 SBIWOPASMQFOMU-SANMLTNESA-N 465.613 5.053 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831861811 YYHSEHTUDAUNOK-PGRDOPGGSA-N 450.545 5.091 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1832028142 LBBACUXZEKGLOL-MHZLTWQESA-N 471.645 5.484 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1832033751 BKJIQYZZFWGCDI-QFIPXVFZSA-N 488.554 5.009 30 20 JKED Cc1cc(CSc2ccccc2C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)on1 10580964 NHZAQVQHBPKKAK-UHFFFAOYSA-N 492.601 5.476 30 20 JKED COc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OCc1ccccc1Cl 10707724 NPMVFLZAVCNMKK-UHFFFAOYSA-N 490.003 5.147 30 20 JKED C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 18518586 HSUFQAMPENRAQY-CYBMUJFWSA-N 462.966 5.406 30 20 JKED Cc1cccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)c1C 21174665 JIBYBEHCBVYCTB-UHFFFAOYSA-N 486.622 5.349 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22730508 IWVXDORCUCOBKV-UHFFFAOYSA-O 451.587 5.860 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Br)ccc1OCc1ccccn1 23622888 SIRZPGOEOGLBIR-QFIPXVFZSA-N 450.336 5.176 30 20 JKED CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C#N)c(Cl)c1 24956650 MKWPZCOHKNSLGP-UHFFFAOYSA-N 469.998 5.159 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 32288637 RBUHALQIGHWHMF-UHFFFAOYSA-N 467.525 5.502 30 20 JKED CC(C)c1ccc(CSc2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)s2)cc1 60384430 ROPOXZOCHVRUCP-INIZCTEOSA-N 460.694 5.777 30 20 JKED CCn1ncc2c(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cc(-c3ccccc3)nc21 105477725 PFWFSKSVYBGNQJ-UHFFFAOYSA-N 477.524 5.026 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 112519244 KUSFWNJEXVPLAV-UHFFFAOYSA-N 466.534 5.043 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 478534794 KZQVBHJPKYKMEQ-UHFFFAOYSA-N 485.590 5.763 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2F)c1 480916041 KKWDMPMQTRLNEH-UHFFFAOYSA-N 496.542 5.102 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@H](CC)c1ccccc1 484826522 RHWYKFWLYFAEQP-AREMUKBSSA-N 455.558 5.466 30 20 JKED Cc1ccc(/C=C/c2cc(C(=O)N3CCC(C#N)CC3)c3cc(Br)ccc3n2)o1 490848436 DOKIDHYKRDOYLM-GQCTYLIASA-N 450.336 5.445 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 491723094 WCZKHJICMQUQQE-DEOSSOPVSA-N 454.574 5.345 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1ccc(F)cc1 496569888 HYQVISBLCBOCGI-UHFFFAOYSA-N 466.563 5.473 30 20 JKED C=CCc1cc(CNC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc(OC)c1OC 497801883 TTXYPLDIMIIQBG-UHFFFAOYSA-N 459.546 5.315 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1 498397592 AYTHQJHAVRKKTL-UHFFFAOYSA-N 468.962 5.249 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 501156875 ATTHLUYLUAZKND-RUZDIDTESA-N 477.967 5.647 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 502716091 UDMXTAAXFUPFOC-UHFFFAOYSA-N 483.980 6.867 30 20 JKED N#CCC[C@@H](C#N)CSc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1 508564789 QQXFRNXDXXGYPD-KRWDZBQOSA-N 471.424 5.585 30 20 JKED N#Cc1c(NC(=O)Cc2cc3c(cc2Br)OCCO3)sc2c1-c1ccccc1CC2 511086702 SDWGLGOTAJFRJE-UHFFFAOYSA-N 481.371 5.100 30 20 JKED C=C(C)CSc1nnc(-c2ccccc2Br)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 514588882 WHECRSGMWNGGDM-UHFFFAOYSA-N 496.434 5.163 30 20 JKED C=CCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 515592119 FHCXKDDJDLYEMH-FQEVSTJZSA-N 472.492 5.599 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)o1 515703557 ROTAHFSDJFSGQN-UHFFFAOYSA-N 495.413 5.847 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1ccc(F)cc1 516045916 UANPPTDBFXGWOL-HXOBKFHXSA-N 463.940 5.683 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N(CCC#N)CCCN(C)C)cc12 517081527 UJPUZTZEFUUXRG-UHFFFAOYSA-N 478.449 5.069 30 20 JKED CCc1cc(C#N)c(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)s1 520410163 SDWZWXNADCWDMG-UHFFFAOYSA-N 452.376 5.317 30 20 JKED Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)ccc1F 521292027 GMJMVTSHIGPSBV-HXUWFJFHSA-N 492.359 5.236 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 521805142 WLPWXSVDWQHLQV-CVEARBPZSA-N 464.616 5.329 30 20 JKED O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 523175379 ULEPJHVCVCBHKL-UHFFFAOYSA-N 462.365 5.354 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 523879908 IQTCNCNYYQSQJB-HSZRJFAPSA-N 460.528 5.075 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1Cl 524314227 HQJFWPJVEKMIJL-LBPRGKRZSA-N 468.435 5.172 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Cl)ccc1Br 524391943 LRZFVUBLPBWOLO-UHFFFAOYSA-N 455.739 6.114 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc(OC)c1 524437654 VWRMAGBJMNVNRZ-UHFFFAOYSA-N 465.937 5.472 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 549801983 POGOQPHXIADYCV-LJQANCHMSA-N 481.986 5.265 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 553070778 ACHGEESFKMLJOA-IFXJQAMLSA-N 477.417 5.880 30 20 JKED O=C(c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 589532156 BKRJUCHXWBPOFB-SFHVURJKSA-N 499.354 5.061 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)c2)cc1 589830022 CXZMDNACIJCKAS-XMMPIXPASA-N 451.526 5.164 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(Cl)s2)nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 595989829 QMNYJLXLUUIFRN-AWEZNQCLSA-N 471.011 5.199 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 603939995 DITIVYVJVZXWBQ-UHFFFAOYSA-N 450.567 6.162 30 20 JKED Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)sc2nc(C(F)(F)F)ccc12 603991944 IMRZWZQQZJJXHL-UHFFFAOYSA-N 469.513 6.575 30 20 JKED C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)Nc1ccc(Br)cc1Br 604044282 CKHPDMPUYPNUSJ-ZDUSSCGKSA-N 481.188 5.333 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1Cl 604168754 QXMQEIZGWCABCF-OAQYLSRUSA-N 468.944 5.000 30 20 JKED COCCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@H](C)c1cccc(C(F)(F)F)c1 604499416 AACDFJBHCLFHNF-QGZVFWFLSA-N 484.478 6.006 30 20 JKED COc1ccccc1-c1nc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 604504305 YFYDJYLJLBUKDQ-UHFFFAOYSA-N 457.530 5.672 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 608995644 UQTFUENKNILMKV-RUZDIDTESA-N 463.484 5.215 30 20 JKED CCc1c(C)sc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1C#N 609033515 ZKHXFOBGXUQSGG-UHFFFAOYSA-N 466.485 5.273 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cc2)c1 609073719 UEJQYFHTSAOQSN-MUUNZHRXSA-N 475.548 5.117 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 609377464 XTARSSKDQXELNZ-DOTOQJQBSA-N 476.429 5.736 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 609381680 JAGDAXCOAKBWCW-UHFFFAOYSA-N 467.557 5.515 30 20 JKED COc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 609405493 PLMKXGSZEXJJAL-HHHXNRCGSA-N 477.520 5.203 30 20 JKED CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C(F)(F)F)c1 609439520 QLTJEAJCLMLDMH-OAHLLOKOSA-N 479.524 5.142 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3F)o2)n(C2CCCCC2)c1C 611197962 PLXYIZZRTVMLAO-UHFFFAOYSA-N 453.543 5.402 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 612941642 JMYPJXWVHSATGK-FQEVSTJZSA-N 489.984 5.998 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1nc2ccccc2o1 614439882 VPJNRBIFGMCGBX-GOSISDBHSA-N 460.287 5.333 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618303361 LMCXQIBRBAIXQV-OKILXGFUSA-N 499.377 5.971 30 20 JKED O=C(Nc1cccc(CNC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1)c1cccc(F)c1 618506346 BOZYJKIQWVGPLV-IYBDPMFKSA-N 491.407 5.350 30 20 JKED O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618543520 VKWRNLURQLWFGW-VXGBXAGGSA-N 493.370 5.137 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)nnc1[C@H]1COc2ccccc2O1 639394445 MUVUFTJYGIPZGF-PKTZIBPZSA-N 478.618 5.349 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3c(F)cccc3F)n2)n(C2CCCC2)c1C 726219389 ZDVMZEQCNLUWTG-UHFFFAOYSA-N 484.528 5.289 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)CCc2ccco2)cc1F 726413615 YXAYRFRSYWUPHP-UZUQRXQVSA-N 495.576 5.409 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C(C)(C)C)cc2)cc1 726570552 FSFTVBVNNFQQRZ-UHFFFAOYSA-O 477.053 6.682 30 20 JKED C[C@H](N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccccc1)c1cccs1 726581034 YMYXCKPDEPCXRV-KRWDZBQOSA-O 466.652 5.394 30 20 JKED CC(C)c1noc2nc(-c3ccco3)cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c12 727919161 QGWBBWKUWKIPJW-INIZCTEOSA-N 490.491 5.237 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Oc3c(cccc3C(C)(C)C)C2=O)cs1 727974152 HFHQRTVGOQSTMG-NDENLUEZSA-N 452.963 6.395 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 728130130 MAACZPQEOZBFCJ-HZPDHXFCSA-N 453.530 5.601 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)c1 728181762 ARZFWYLRVAWKCN-UHFFFAOYSA-N 453.523 5.692 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1sccc1C 728424979 KJKLFUJYAJLAQO-OAQYLSRUSA-N 490.610 5.097 30 20 JKED Cc1cc2oc(=O)cc(Cn3cc(C#N)c(=O)c4cc(Br)ccc43)c2cc1C(C)C 728705531 XTKUSNFCOOVWIA-UHFFFAOYSA-N 463.331 5.222 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728766954 QAXQXLSWXXWZAK-HXUWFJFHSA-N 459.889 5.282 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc2ccccc12 728776949 VSHZXTUVPNAYFU-DEOSSOPVSA-N 481.581 5.366 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1F 728780319 QIAXTGIDGHGCLI-OAQYLSRUSA-N 487.000 5.750 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)cc1 728780671 WNMJSESWJCGDAZ-HSZRJFAPSA-N 478.618 5.356 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Oc3ccc(-c4noc([C@@H]5CCCO5)n4)cc3)c2)cc1 729109906 YGIJCXPECKJGSB-QHCPKHFHSA-N 453.454 5.471 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ncccc3C)C2=O)c1 729633930 HROUZXGPQAFLEQ-DEOSSOPVSA-N 488.613 5.176 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CCc2nc(C(C)(C)C)cs2)C1=O 729634541 NTNCLRJXYWBBFO-HNNXBMFYSA-N 499.489 5.058 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1 729889077 POSVQMOAIGOLHR-JJEXOMBSSA-N 489.616 5.330 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O)Nc1ccc(SC(F)F)cc1 730461150 LOARSVIBGLNXFF-GOSISDBHSA-N 479.549 5.653 30 20 JKED CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N 730951582 JDOUOTFKKIWQQE-QGZVFWFLSA-N 494.642 5.466 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 731076937 CSZDQHHYQJTDJO-XOKHGSTOSA-N 463.386 5.673 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cc(C)ccc1C 746697019 ZBTMOTOVCUHSFT-JOCHJYFZSA-N 489.588 5.359 30 20 JKED CCc1ccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)s1 747200353 DWRRNXDEAQESEA-FLIBITNWSA-N 489.515 6.252 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCc1nccs1 747601935 JLPPBKWCVHAVOD-IBGZPJMESA-N 482.606 5.102 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccccc1OC 838517926 TVOOKKDCZQKJAM-FQEVSTJZSA-N 475.998 5.036 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 877084964 ILIALWJRCHKEEN-RCZVLFRGSA-N 488.613 5.487 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(C)c2)cc1 912771803 OMGYEBPWNPSKGF-DEOSSOPVSA-N 489.597 5.173 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2C2CC2)c1 913119870 YGOMYNKQXQUVLT-LJQANCHMSA-N 491.400 5.075 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)c(Cl)c1 914539532 DUUBJGBXMXGYME-BFUOFWGJSA-N 480.417 5.208 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 915354164 WKWMWSKTOMXEOQ-OAQYLSRUSA-N 499.924 5.763 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166915 YHUKCDGILMDWNC-IBGZPJMESA-N 483.412 5.889 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 916204429 FPOFZCCZMREDFM-KRWDZBQOSA-N 455.889 5.128 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cccnc1 916310765 IRLYRKTUDCRZOE-UHFFFAOYSA-N 488.576 5.563 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)cc1 916628448 SMODWTRMCTYUNR-HSZRJFAPSA-N 493.654 5.102 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)COc1ccccc1C#N 916877892 HYSHHGNXZCRXKN-UHFFFAOYSA-N 466.493 5.265 30 20 JKED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 916888106 UTEWDCDADTXRQP-HXUWFJFHSA-N 457.580 5.227 30 20 JKED N#C[C@H](C(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1 916904440 CYHMZVNNCMBMNT-HXUWFJFHSA-N 450.947 5.713 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccc(Br)cc2)o1 916918716 RVJJQSJCAVFJGL-NRFANRHFSA-N 489.325 5.735 30 20 JKED CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1 916995173 BQUBUKGTUBCRGM-MRXNPFEDSA-N 477.442 6.055 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1ccccc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917029787 ADVZUWQCIWOZAD-SFDMKYNQSA-N 459.615 5.092 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917044817 VIRDIHLWLDBDEN-RHSMWYFYSA-N 472.492 5.435 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2cc(Cl)ccc2s1 917045945 DMWNYIZJWIDTCT-HNNXBMFYSA-N 477.920 6.511 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1Cl 917426702 MXCNJOIBVUOWSO-LBPRGKRZSA-N 467.856 5.247 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1oc2ccccc2c1COc1ccccc1 917505947 SBDRIORLUVBRJB-HXUWFJFHSA-N 484.508 5.339 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2cccc3ccccc23)n1 917652490 GSFYQOVSEGCXKS-SANMLTNESA-N 494.620 5.381 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)c(C)c1 917672951 CTBSCNIGVYNEPW-RUZDIDTESA-N 490.673 5.138 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cccc(C)n3)C2=O)c1 917682858 ZZOICZBXLGFWCX-HSZRJFAPSA-N 493.032 5.821 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)n(C2CCCCC2)c1C 919369045 XTOIUVASUBTCKN-IAGOWNOFSA-N 453.505 5.332 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3c(C)noc3C)C2=O)c1 920353655 OVDSQJYLUXYSOH-DEOSSOPVSA-N 490.629 5.686 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccc(Cl)s3)n2)c1 920676076 KLCLFBOSOBFWFX-OAHLLOKOSA-N 474.007 5.634 30 20 JKED N#CCCn1cc(C(=O)COC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)c2ccccc21 934173615 YQHMDPNPGINFOR-HHHXNRCGSA-N 476.536 5.288 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CCOc4ccccc4)CCC3)cc2)cc1 1785795913 ICSKLRZILNJZOW-UHFFFAOYSA-N 467.569 5.094 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786102958 FLEZFGIHEUAKJN-UHFFFAOYSA-N 481.637 5.146 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4c(Cl)c3OC)CCC2)cc1 1786360767 MEIWCRSVKSVLFU-GOSISDBHSA-N 490.987 5.288 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccsc3)CCC2)cc1 1786545280 XDLSATUGJPSDAG-MKGTUJQCSA-N 495.645 5.365 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1 1786592497 JOGZSYANEJIAMP-MUYFXNHWSA-N 452.517 5.080 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)cc2)CCC1 1787155596 RVAUSCTTWRYJPF-UHFFFAOYSA-N 494.542 5.085 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5n4)cc3)CCC2)c(Cl)c1 1788962926 ATVBMJJHIDQGAS-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)cc2)CCC1 1789229775 WTOMZKTYHUHOGS-UHFFFAOYSA-N 453.464 5.348 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)ccc5[nH]4)cc3)CCC2)cc1 1789235925 RDCUYBZRJGOQPX-UHFFFAOYSA-N 466.516 5.435 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4occc4n3-c3ccccc3)cc2)CCC1 1789994541 GYEKWKMAUKCROZ-HXUWFJFHSA-N 498.583 5.772 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(-c5cnccn5)c4)CCC3)cc2)c1 1790258395 NYPNIUZMBFCFQD-UHFFFAOYSA-N 473.536 5.077 30 20 JKED Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(C#N)cc5)CCC4)cc3)ccc2[nH]1 1790986807 ALTNOXRTTYNJTK-UHFFFAOYSA-N 462.553 5.338 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccs4)on3)CCC2)cc1 1791300669 URNBEECEMWDMPR-UHFFFAOYSA-N 457.502 5.362 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CN(Cc3ccccc3)C(=O)OC)cc2)CCC1 1791493922 OFWNDLARGFJJOM-VWLOTQADSA-N 489.616 5.158 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)Cn3cnc4ccccc43)cc2)CCC1 1791509824 JOFPCISTIJTAFR-UHFFFAOYSA-N 486.692 5.222 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cc(F)ccn4)CCC3)cc2)c1 1792123185 MNXQSORXQRLMAS-LJQANCHMSA-N 470.548 5.228 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nccn5c4)CCC3)cc2)cc1C#N 1792168577 PNCKZOLEBKLUBE-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1793575651 CGFXLCKBNOIEJL-SFIUMABJSA-N 482.571 5.119 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC(F)(F)F)c(F)c1 1800262631 ZOWWMJJJSGZQNK-BCDXTJNWSA-N 470.507 5.011 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccc(Br)cc2c1C 1801204385 BGQQXOQQLVGZGA-ACDBMABISA-N 484.438 5.259 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1803090516 HXKUNSQELHANRP-XRKRLSELSA-N 496.655 5.577 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1803092065 UEXYREOWULPNDX-UHSQPCAPSA-N 495.623 5.962 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)C1 1804868569 JPGDEPQXRFTXFX-UHFFFAOYSA-N 465.638 5.183 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3nc4ccc(C)cc4s3)CC2)C1 1805453665 QRBGCJDNRYSGDB-UHFFFAOYSA-N 451.636 5.218 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1809214179 GTXGMGSEBFGFOF-CWHUZLPRSA-N 496.655 5.389 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@H]1c1cccnc1 1809672047 JGESUWVHFRYYEM-WXVAWEFUSA-N 489.019 5.105 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810172191 KUKNKROQQWEWPF-WZOHSFFVSA-N 477.008 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1810499263 WVOBIDSVJPQMHA-RDPSFJRHSA-N 465.663 5.334 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(CC(C)C)cc2)[C@H]1c1cccnc1 1811629186 WDCCMBNCRJRDAL-OYUWMTPXSA-N 459.634 5.368 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 1811943991 JRSJZTZAQMKINK-SQHAQQRYSA-N 474.649 5.578 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1812368745 NYFNLZPYQRIDTI-URXFXBBRSA-N 482.694 5.583 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@H]1c1cccnc1 1812592822 UNMMYHCOVCFEBP-PTJQVGQKSA-N 485.603 5.343 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)cc2C(F)(F)F)n[nH]1 1815546345 LHRZSPCPMQIJFE-KRWDZBQOSA-N 488.432 5.014 30 20 JKED Cc1csc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1815896100 ZSHYNHVKPWRHBP-NRFANRHFSA-N 482.009 5.243 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3nc(C)ccc3c2)n[nH]1 1818675467 XBUFMRUULYTTHS-ZJSXRUAMSA-N 457.578 5.341 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818813520 AZMPSHFOFCYPRX-LUSXFWADSA-N 493.567 5.802 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2SCC)[nH]n1 1819552060 DHFJRYHDFHHULC-IBGZPJMESA-N 455.628 5.215 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)n[nH]2)CCC1 1820090564 CTLZECCYWHFASM-FQEVSTJZSA-N 482.544 5.151 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115837 NILHPZAQOPOXQS-LIRRHRJNSA-N 479.631 5.244 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccccc4F)CC3)[nH]n2)c1Cl 1820224013 VRWKUVVPUUYMAJ-OAQYLSRUSA-N 491.954 5.112 30 20 JKED CC(C)=CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1820805111 UQWCUSIGOJSOKZ-FQEVSTJZSA-N 473.499 5.352 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(-c4ccccc4)noc3C)[nH]n2)c1 1821322484 OOVYPUMFKZBXHI-QHCPKHFHSA-N 494.555 5.173 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](C)Oc2ccccc2)n[nH]1 1821779886 BNASPUBMASAWQV-UGKGYDQZSA-N 452.599 5.252 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1821921924 YSHRNSQYJMWQAF-HTAPYJJXSA-N 461.541 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(F)CCCCC3)[nH]n2)c1 1823214353 CEKXGXCVWFJEJW-DYESRHJHSA-N 451.546 5.015 30 20 JKED Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216137 PARDGBKUCAGNNB-NTKDMRAZSA-N 455.562 5.273 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(Cl)c2)n[nH]1 1823243693 BLHNHASIMRISBC-FXAWDEMLSA-N 456.974 5.146 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823660864 KAYKTUFCSBGKSO-NBGIEHNGSA-N 490.673 5.368 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1823885754 GRJNNVFMEFRZLA-RUZDIDTESA-N 483.616 5.013 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2F)CC1 1823930159 FBMWWJMYFIFPHO-IBGZPJMESA-N 487.360 5.033 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1)c1ccccc1 1826421140 ITCNQCHNTZARGR-OSGDCWCASA-N 477.649 5.148 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1827294619 RAXDJDOWGOOKHF-SANMLTNESA-N 486.660 5.117 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)CC2)c1 1828319563 GNWIAOPHGZVPFZ-IBVKSMDESA-N 468.601 5.342 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2SCC)CC1 1828825057 SICLDPKAEDWCOU-GGAORHGYSA-N 455.668 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2F)CC1 1828829052 WVLMCLAOJHRCFY-RSXGOPAZSA-N 470.629 5.155 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)CC1 1828829799 NXWWPJBMYDEQFN-LGAXSRDJSA-N 460.662 5.496 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnccc2C)CC1)c1ccccc1 1829030098 JWYYVTKPBXBANC-WDYNHAJCSA-N 485.672 5.140 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccnc2C)CC1)c1ccccc1 1829030348 NMQINVBXPBFECF-WDYNHAJCSA-N 485.672 5.140 30 20 JKED COc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC#N)CC2)cc2ccccc2c1Cl 1829707339 HTKAVBFRDDDNPT-QFIPXVFZSA-N 467.997 5.039 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830409935 ZREZPFIXBZQMAJ-FSVJATIDSA-N 489.660 5.578 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830749533 CCOTVHFMDNXMQJ-HHHXNRCGSA-N 455.602 5.291 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1831370500 LEOLQNFKMDCNAK-UVCDWSHASA-N 463.666 5.196 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1831857674 RZPHCWJDPUKJDC-HSZRJFAPSA-N 469.423 5.412 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1 1832632785 VNQCASJGVZERJW-KMRXNPHXSA-N 480.612 5.409 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633134 CMIQMVHJQWCMSG-UQBPGWFLSA-N 494.035 5.523 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1832920017 NCQUNXLHEBZKMX-DNQXCXABSA-N 489.701 5.068 30 20 JKED N#CCC(=O)NC1CCN(C2CCN(C(=O)CCCCCCCCCCc3ccccc3)CC2)CC1 1834403845 WSJKHKBLCJPRTB-UHFFFAOYSA-N 494.724 5.225 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)CC1 1835817000 NVKOBAGZRMUBPO-UHFFFAOYSA-N 497.577 5.022 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)CC1 1838373485 QNDHIHVDDHMOKT-FQEVSTJZSA-N 496.545 5.225 30 20 JKED C=C1CC(C(=O)N2CCCC23CN(C(=O)c2ccc(C4CCCCC4)c(C(F)(F)F)c2)C3)C1 1841019085 BIUBGKLTIBSGFA-UHFFFAOYSA-N 460.540 5.536 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)C1 1843152154 AKWFORXINMXXFT-NRFANRHFSA-N 464.606 5.225 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2occc2C)C1 1843467673 BEXXXUFAHRQHBH-NRFANRHFSA-N 489.657 5.049 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1Cl)N1CC2(CCCN2C(=O)c2cc(F)c(F)cc2F)C1 1845328579 SVGXOGIRVXRATR-UHFFFAOYSA-N 494.794 5.046 30 20 JKED Cc1cccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c1C 10167976 NAOJZEGXZJLXST-UHFFFAOYSA-O 482.673 6.188 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 10178775 SVVWFRZTZASQAG-UHFFFAOYSA-O 473.996 6.526 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1)c1ccc(F)cc1F 11128892 GOOMPRBHNANUPY-UHFFFAOYSA-O 453.412 5.028 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2CC)c1 14710948 CZDOXFIDHYHZIJ-UHFFFAOYSA-N 485.005 5.545 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)sc2c1CCC2 16664635 AXSTTYVSBDEEIY-UHFFFAOYSA-N 493.564 5.365 30 20 JKED C=CCn1c(SC[C@H]2CN=C(c3ccc(OC)cc3)S2)nnc1-c1ccc(Cl)cc1 23951413 QXTZNVPMDXFPEJ-LJQANCHMSA-N 457.024 5.447 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)n(Cc2ccccc2)c1C 25832366 HBSIVESTGYNUFW-UHFFFAOYSA-N 488.544 5.083 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCC(=O)N[C@@H](C)c2ccc(C#N)cc2)n1-c1ccccc1 26113685 UCGBUIAXSUFJOR-NRFANRHFSA-N 497.624 5.304 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(C)c2)cc1 28781503 YYSUGCLBPWNIFD-UHFFFAOYSA-O 457.591 6.211 30 20 JKED COc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)ccc1OCc1cscn1 32290963 HQHBUGNGMBJKEP-UHFFFAOYSA-N 471.538 5.434 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)N(Cc3ccco3)C3=CCCCC3)nc3ccccc3c2=O)cc1 69492207 KEZKFOQMIWINCR-UHFFFAOYSA-N 496.592 5.429 30 20 JKED CCOC(=O)/C(=C\c1cccc(OCc2cccc(C#N)c2)c1)c1nccn1Cc1ccccc1 214021518 ACLJZEKTWWVIDK-IMRQLAEWSA-N 463.537 5.486 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c2ccccc21 255929350 ZRJOATJGXVRQBA-UHFFFAOYSA-N 467.554 5.430 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)nnc1-c1ccncc1 255930202 ZWQFXIAAOPRPTR-ZDUSSCGKSA-N 478.628 5.818 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cccs2)cc1 493722440 HDNWBHGRUUSGDM-KBMIEXCESA-N 480.655 5.858 30 20 JKED CC(C)c1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cccs2)cc1 495457254 SEQBIYQZFVRIRZ-DEOSSOPVSA-N 466.628 5.468 30 20 JKED C=CCc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc(OC)c1OC 497340180 LSLSEYLIPVQADW-UHFFFAOYSA-N 479.886 5.220 30 20 JKED N#Cc1ccsc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 497980721 KMMJDNQGBCBQLQ-UHFFFAOYSA-N 496.795 5.089 30 20 JKED Cc1c(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)sc2nc(C(F)(F)F)ccc12 499475389 QOGHFFALYOEJFC-UHFFFAOYSA-N 481.503 5.006 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccccc2Sc2ccc(Br)cn2)CC1 503999300 WATZTIHFAOLEHQ-UHFFFAOYSA-N 493.430 5.219 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1ccccc1Cl 504341477 RTYQLXIUOFNXBS-LJQANCHMSA-N 462.340 5.790 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nc2sccc2c1=O 505214986 FUCUHMBNVAEGBX-MRXNPFEDSA-N 463.584 5.556 30 20 JKED COc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1Br 507012274 CARGBNKPPRSUBM-UHFFFAOYSA-N 453.361 5.411 30 20 JKED CCCCN(C)CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 508265700 COJUEIIIMBDENC-UHFFFAOYSA-N 450.583 5.335 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 508279292 JMZGVCNKUPLVPO-UHFFFAOYSA-N 451.526 5.538 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 508860905 GKSZBIUPFXQBPV-FQEVSTJZSA-N 489.626 5.179 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1Cl 510040269 AZUMGUSAEPLPMQ-RUZDIDTESA-N 498.970 5.840 30 20 JKED CCCCNC(=O)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510060466 ZVTYAOZCWRXLHR-JOCHJYFZSA-N 452.986 5.156 30 20 JKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1nc2ccccc2n1C(F)F 510247352 WVZLZNBFNIUAEG-LBPRGKRZSA-N 485.545 5.330 30 20 JKED CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511309160 WZSDEYSJMSBIQI-UHFFFAOYSA-N 462.937 5.087 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 511405946 UFCBNGKEOQDQOV-UHFFFAOYSA-N 469.463 5.594 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 512544106 DUJOWCVISXFNKZ-HXUWFJFHSA-N 489.959 5.503 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1C(C)C 512962365 POFRNNSWGCSCAA-QGZVFWFLSA-N 471.026 5.939 30 20 JKED Cc1nc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1SCC#N 515086649 FAJKUJFROSDURQ-UHFFFAOYSA-N 455.405 5.122 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 516345537 SUTYXGXPQXMHKA-KRWDZBQOSA-N 497.473 5.416 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(O[C@@H](C)c4ccccc4)nc3)n2)cc1 516714110 QCLXWTHFYCWTOS-HTAPYJJXSA-N 455.539 5.844 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(NC(=O)NC2CC2)cc1 518253178 WFPOCMJUYTXDCC-QGZVFWFLSA-N 455.518 5.517 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)Nc3cccc(NC(=O)Nc4cccc5c4CCCC5)c3)cc2)c1N 518744447 SDNKSQVIJBKWAS-UHFFFAOYSA-N 491.555 5.101 30 20 JKED Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)cc1 519011013 DQSHFLKLTKXZLA-UHFFFAOYSA-N 469.501 5.261 30 20 JKED Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)n1Cc1ccccn1 519105532 VQHSOSDNHDFMEU-RUZDIDTESA-N 454.961 6.109 30 20 JKED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 519195552 ICEPPOCIUCGEBC-UHFFFAOYSA-N 450.489 5.224 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 520197838 QUURLMWIIFZHKC-KRWDZBQOSA-N 451.571 5.707 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 520375344 OYJKIHFYGPUWJL-UHFFFAOYSA-N 471.460 5.282 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 520507034 WECJQJVZSBGGID-UHFFFAOYSA-N 453.420 5.046 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 520846785 JLQKWSFGQLPOQB-PGRDOPGGSA-N 471.582 5.184 30 20 JKED CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520919382 HQCUGOPUMOWJEE-SANMLTNESA-N 496.592 5.389 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)cc1C 557705870 ZNCUANAEEJOCCN-UHFFFAOYSA-N 498.631 5.147 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1 585688554 WIBMPRWIQJWURZ-UHFFFAOYSA-N 455.008 5.919 30 20 JKED Cc1ccc(-n2cnnc2SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(C)c1 589942213 YMIYGBUIZORYHJ-HNNXBMFYSA-N 451.621 5.063 30 20 JKED C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 598684554 QGNUPZRBQVYBTA-SNVBAGLBSA-N 475.393 5.040 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)c2)c1 603708713 OTYCWJWAXJUUER-UHFFFAOYSA-N 495.510 5.324 30 20 JKED COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c(C)c12 603766262 PBIOLRLECDXFNR-JOCHJYFZSA-N 487.991 5.474 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC(F)F 603831128 YDABPGRIENUWNC-UHFFFAOYSA-N 467.472 5.263 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c2)c1 603995862 PEWAPMWFUBVEHX-UHFFFAOYSA-N 472.504 5.514 30 20 JKED C[C@H](N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 604046419 GTDRHFAFGHDICK-HOTGVXAUSA-N 464.928 5.281 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)s2)cc1Cl 604143366 UJCBPKJBIMHWPA-GOSISDBHSA-N 458.370 5.008 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)cn2)cc1 604222164 XWBZBFOIZAMDLC-SANMLTNESA-N 476.536 5.174 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc3ccccc3c2CSc2cccs2)n1 604476533 MPTLGJVDKGHTAO-CQSZACIVSA-N 468.581 5.910 30 20 JKED CCOc1ccccc1[C@H](CC)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 608796948 FHAUCTGSHBDAIM-QFIPXVFZSA-N 477.948 5.609 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 608882370 MERKIPWLPWJUBC-UHFFFAOYSA-N 479.334 5.031 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2F)c1 609104498 YXZOORJSECRLCT-UHFFFAOYSA-N 477.495 5.383 30 20 JKED COc1ccccc1Nc1nc2sc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2s1 609203140 IEMTYAHAWWDCKJ-UHFFFAOYSA-N 490.610 5.665 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 609208470 YHLVCTLMTGNIJV-UHFFFAOYSA-N 485.544 5.177 30 20 JKED N#CCn1c(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc2ccccc21 609216780 RGMILOYYOHFKTP-UHFFFAOYSA-N 480.421 5.827 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3SCCC#N)c2)cc1 609375926 NDMSRNYUFLBSTA-UHFFFAOYSA-N 465.600 5.078 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 609430758 VVIAPMRBVGWWIO-MRXNPFEDSA-N 469.563 5.273 30 20 JKED C=CCN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 609433730 DLRVMAIGJVVDOE-LJQANCHMSA-N 465.517 5.107 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H](C)c1cc2ccccc2o1 609438894 YIQNLOXEJKDFJZ-GOSISDBHSA-N 453.498 5.645 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cnn1-c1ccc(Br)cc1 613392527 RTQJKJGQLAKEBB-GOSISDBHSA-N 463.360 5.557 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 613403201 DJKMJYQIRSXZQU-INIZCTEOSA-N 453.880 5.437 30 20 JKED N#C[C@@H](C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1nc2cc(Cl)ccc2s1 613407511 WIXHPKJYXURQNF-IBGZPJMESA-N 470.941 5.198 30 20 JKED CCCCCn1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc2c1=O 613407523 XCIPDJSXXMYUTM-KRWDZBQOSA-N 450.951 5.340 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 615508962 CZLXXITZRQBBFY-UHFFFAOYSA-N 489.444 6.456 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 615756155 QLJHMMGFAQYPTE-UHFFFAOYSA-N 471.976 5.783 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCc3sccc3C2)C(C)C)nc2sc(C)c(C)c2c1=O 639385778 GGXKQIAIQZTSNL-IBGZPJMESA-N 473.689 5.024 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1OC 642281887 XMLDKPUJVACPAA-OAHLLOKOSA-N 457.349 5.470 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2scc(-c3ccccc3)c2c1=O 670180792 YEADQQURRMNJQP-UHFFFAOYSA-N 493.610 5.059 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1oc2ccccc2c1CSc1ncccn1 726321675 NLQIYJLUPQLOLK-OAHLLOKOSA-N 480.908 5.269 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C)c1 726397352 HQZHDOICJQUHML-KKSFZXQISA-N 474.026 5.342 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\[C@H](C)c1cccs1 726420762 MXTVIOFSJCEZOM-QPHCSXNPSA-N 486.594 5.082 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(C3CCCC3)C2=O)c(OC)c1 726422214 UIKROGSMBNOWOJ-OVRHBKGWSA-N 487.647 5.098 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(OC)c(Cl)c1 726888539 ACVSDYLPBPZLJQ-LJQANCHMSA-N 496.416 5.299 30 20 JKED C#CC[C@@H](OC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)c1ccccn1 727772722 HKHPQIRAKZDTBX-JOCHJYFZSA-N 474.582 5.123 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)cc2Cl)cc1 727989047 PYHJSMKAPKAQET-IBGZPJMESA-N 472.713 5.852 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2ccccc2cc1NS(C)(=O)=O 727997215 VAINPQKRAMSQGZ-UHFFFAOYSA-N 485.565 5.223 30 20 JKED COc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062009 GHTSPHAHLFLYBV-ROUUACIJSA-N 463.965 5.477 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 728063110 WFWBZGLBBSEIAT-NRFANRHFSA-N 484.600 5.367 30 20 JKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)N1CCOC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 728411941 PSPCTTRZAGCBJB-XLIONFOSSA-N 486.380 5.877 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CC(c3ccccc3)C2)C1=O 728421611 XYWAUODTQBJBSN-GSQSYGFSSA-N 462.402 5.007 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3c(Cl)ccc(C)c3Cl)C2=O)ccc1OCC#N 728610748 LQQRQQIHISHKEY-MHWRWJLKSA-N 465.383 5.619 30 20 JKED N#Cc1ccc(CN2C/C(=C\c3cccnc3Cl)C(=O)/C(=C/c3cccnc3Cl)C2)cc1 728696708 AWJZTPJPZZTPRY-XHQRYOPUSA-N 461.352 5.207 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCCCC#N)C2=O)c1 728776853 BSHLCTBJOQBRMH-MMOPGJHNSA-N 468.648 5.449 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/Cc3c(C)cccc3C2=O)cc1OC 729151373 RUOLRCFJGBICNR-WQRHYEAKSA-N 477.944 5.506 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc2)cc1 729891335 DUQCTUZCGDQWFS-NHCUHLMSSA-N 473.985 5.996 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c3ccc(C#N)cc3)cs1)O[C@H](C)C2 730690651 BFNNDWKFZVXCMN-QTLGSODGSA-N 469.566 5.384 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cocn2)C1=O 730712277 DWZYTMMNZSHMMY-QHCPKHFHSA-N 492.601 5.241 30 20 JKED N#C[C@@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc2ccccc2n1C(F)F 731288511 SQPACOOYXJQNDY-INIZCTEOSA-N 462.294 5.619 30 20 JKED O=C(/C=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(N2CCOC2=O)c1 745626986 WREUVYLPEUBLAD-YFHOEESVSA-N 481.335 6.098 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)s2)cc1 746100751 QBRFCFMHQRVYRB-UHFFFAOYSA-N 498.593 5.181 30 20 JKED CCOc1cc(/C=C\C(=O)c2cnn(-c3ccccc3)c2)ccc1OCC(=O)Nc1ccccc1 746345989 CURXDMZMRWTMBZ-SQFISAMPSA-N 467.525 5.185 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN2CCC(C#N)CC2)c1=S 747079101 USXKVKNTKFIVKO-HZEGPAAWSA-N 469.630 5.322 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)cc1 747602123 ITXPLJMSLITOGO-JOCHJYFZSA-N 494.642 5.319 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3c(C)cc(Cl)cc3C2=O)cs1 750907968 BWJFPRTUEMMSOT-RIYZIHGNSA-N 459.354 6.102 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3cc(SC(F)F)ccc3C2=O)cs1 750916055 KKTNOVHWYXSRCA-BOPFTXTBSA-N 470.566 6.663 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2ccc(S(=O)(=O)C(F)F)cc2)cc1 759872839 GXJKXZUHTDUBFS-UHFFFAOYSA-N 473.522 5.204 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 799218959 LYBODLQGFIWEKX-OAHLLOKOSA-N 459.852 5.002 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 837481992 TXTPNWFMOMQKNO-QVKFZJNVSA-N 482.968 5.596 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1[C@@H](C)c1ccccn1 838197177 DOMVATPUOWQMQR-UUOWRZLLSA-N 488.613 5.374 30 20 JKED C=CCOc1ccc(/C=C\C(=O)NC2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC 914744365 UIHDGTICLFGBOB-JPGYVXCHSA-N 451.407 5.299 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccco2)C1=O 916204906 FPAWUKOVIMUXIJ-FQEVSTJZSA-N 487.940 5.241 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccccc1Cl 916209513 LUTKTMIQDJHMNM-HXUWFJFHSA-N 475.998 5.118 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccco2)C1=O)Nc1ccccc1 916217847 XMKIJBBWCLPASH-LJQANCHMSA-N 473.476 5.459 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 916721470 XVFLLOPQJGXTPZ-PCRNYRQLSA-N 489.041 5.302 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 916898487 BTOFGVVJWPLNOH-UWJYYQICSA-N 463.965 5.646 30 20 JKED Cc1oc(-c2cccs2)nc1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916911139 VXSYLTMJHOAUKO-SFHVURJKSA-N 457.511 5.394 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 916918954 SXOLAFIGVXPUBR-QUCCMNQESA-N 494.378 5.346 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1Cl 916937652 DVZMJPWPHXTUNU-QGZVFWFLSA-N 482.924 5.158 30 20 JKED CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 916973943 AMWXBSCWYHCMTO-SFTDATJTSA-N 464.566 5.102 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3=Cc4cc(Br)ccc4OC3)n2)cc1 916975311 XNHMFVPCSBMTNX-SFHVURJKSA-N 451.345 5.533 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc(-c2ccc(Cl)cc2)cs1 916976160 LYULQRCUWJNYRM-VWNXMTODSA-N 484.964 6.408 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cn(Cc2ccccc2)nc1-c1cccs1 917029577 GOZHIOFJGSLSEZ-UHFFFAOYSA-N 486.626 5.488 30 20 JKED Cc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(Br)c1 917043730 NDILJZZGUGGSMK-DGCLKSJQSA-N 483.309 6.030 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2cccc(C(C)C)c2)c1 917614331 SXMUTUZEMWOSEF-UHFFFAOYSA-O 474.650 6.136 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)c(C)c1 917674591 RBSOWVIPSLPTBD-HSZRJFAPSA-N 458.587 5.167 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(C#N)cc2)C1=O 917683503 XZLPCZNGBMEIAL-XMMPIXPASA-N 484.581 5.036 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1ccsc1 917694169 BZBAHIXMGJAOIA-JOCHJYFZSA-N 493.610 5.120 30 20 JKED CC(C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C#N 917702201 DJSNPADXOWAXRW-FQEVSTJZSA-N 488.535 5.583 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cc1OC 917782143 ZLLOHKUMUSOAGX-LGMDPLHJSA-N 456.542 5.117 30 20 JKED CCCCCCCCCN(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 918397385 BLDXDLCDOCZQSF-UHFFFAOYSA-N 451.449 5.510 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1OC 918490345 SRAGHBAGFPTATA-MRXNPFEDSA-N 491.396 5.952 30 20 JKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918546944 HBWPIDPAGKKODO-IFMSOTMUSA-N 477.030 5.158 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)cc1 918659163 MXAHCEUTHOCZOB-UHFFFAOYSA-N 496.336 5.009 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 919910480 FBQSDNNQNJRGOP-UHFFFAOYSA-N 470.573 5.189 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1 920110049 JTYSGLHVAUNIHD-OXQOHEQNSA-N 494.041 6.925 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2cccs2)c1 920175214 ZUHDCYUWAACZRJ-OAQYLSRUSA-N 493.610 5.224 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc(C)on2)c(Cl)c1 920355654 LNQSEANLUUNAKX-FQEVSTJZSA-N 482.993 5.414 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 920867312 DFNZRVJXCODJHD-HNAYVOBHSA-N 494.444 5.545 30 20 JKED N#C[C@@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc(-c2c(F)cccc2F)cs1 920877335 CTHIGOABLLKWRI-INIZCTEOSA-N 469.513 5.694 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785793031 SLZHTMSBLHTFNB-UHFFFAOYSA-N 479.964 5.078 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4S)cc3)CCC2)cc(C(F)(F)F)c1 1785848892 RUFMFLREYBCEBC-UHFFFAOYSA-N 496.514 5.322 30 20 JKED Cc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)n1 1786213793 YFPRQOAUAHRYSV-LJQANCHMSA-N 452.558 5.008 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)[C@@H]5CCCCC5(F)F)cc4)CCC3)c2c1 1786465288 NVIURYGAAHEDPE-FQEVSTJZSA-N 477.515 5.008 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](S)C(C)C)CCC3)cc2)c(C(F)(F)F)o1 1787397723 ZNOQYJGUTBXKQD-QGZVFWFLSA-N 454.514 5.309 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CCC1 1787768966 SVTXLCJHKHQOAM-UHFFFAOYSA-N 462.537 5.301 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c(C(C)C)nn4ccccc34)cc2)CCC1 1788395685 NGNVFNQHXYEXNC-UHFFFAOYSA-N 474.605 5.188 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)cc2)CCC1 1788682820 CWUQZTOGWHMELW-SFHVURJKSA-N 459.546 5.310 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3occc3Br)cc2)CCC1 1788717087 BENKMTKANGQZPD-CMDGGOBGSA-N 499.386 5.290 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393215 YKJXGPFVLAYCDL-MRXNPFEDSA-N 451.954 5.160 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1789455851 FUVAYCAUUNSKQI-QFIPXVFZSA-N 475.545 5.046 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(OC)cc3)CCC2)cc1 1789492811 LIIOHIRYDGSPCZ-RUZDIDTESA-N 499.611 5.078 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc(C)nc3C)cc2)CCC1)c1ccc(O)cc1 1789967668 AIEXQQLGQIDOFL-HSZRJFAPSA-N 481.596 5.349 30 20 JKED CCc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1790198539 OEMMWTYXKPKHQB-UHFFFAOYSA-N 464.978 5.292 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1790566134 SEPXKSYKSCBWGI-SFHVURJKSA-N 488.613 5.703 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c(C(F)(F)F)o1 1790703130 IKRBKSTUYISWGJ-UHFFFAOYSA-N 481.474 5.734 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4Cc5ccccc5N4)CCC3)cc2)c1 1792126246 CIWBUWXZPXMHQV-SIBVEZHUSA-N 464.569 5.098 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3=CCCS3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204391 ZOSAMYVROQXNBF-FQEVSTJZSA-N 485.650 5.001 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCC5CC5)c(F)c4)CCC3)cc2)CCC1 1792234086 IIERISNGUBSSGB-UHFFFAOYSA-N 461.537 5.056 30 20 JKED C[C@@H](Sc1cccs1)C(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1 1792240472 GLWPWSADCFXUDN-GOSISDBHSA-N 491.638 5.313 30 20 JKED CC#C[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)(C)C)cc1)c1ccc(O)cc1 1800498819 BTRBGUNLDBVJPF-ZKGSSEMHSA-N 488.628 5.019 30 20 JKED CC(C)c1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)cc1 1800743379 IUSKXQKKWVASFM-BKFWDETESA-N 483.534 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1cc(Br)ccc1OC 1802189304 RZRWCFMIYBQIOS-VFICEKILSA-N 489.454 5.102 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1803084628 UJGAOCKCBMUZBJ-OUTSHDOLSA-N 496.655 5.389 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1803088616 MTHVNRZOBWSBCH-CJFMBICVSA-N 477.605 5.523 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nn3C)CC2)C1 1805456411 UZTMMOYGTCOYSO-UHFFFAOYSA-N 495.067 5.354 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)C2)CC1 1805894574 RJPHYAMCSGFKSB-UPVQGACJSA-N 497.680 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)C2)CC1 1805946011 IJQOXNFCCLANNJ-BJKOFHAPSA-N 452.639 5.022 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1806089220 QYYYBEKERJIIFI-REWPJTCUSA-N 476.646 5.312 30 20 JKED N#Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CCC3CCCC3)[C@H]2c2cccnc2)cc(C(F)(F)F)c1 1806207159 QFYOBGMMNAKKAB-SQJMNOBHSA-N 498.549 5.262 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)C2)CC1 1806754786 LUGJRJVFRDVNMK-QHCPKHFHSA-N 489.701 5.070 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1809783622 YJEJCVGVCJMTRR-SQJMNOBHSA-N 463.647 5.110 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1)c1ccccc1 1810443708 KSEYRKNLEPCAJT-URORMMCBSA-N 486.015 5.252 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1810499378 CQXQJORGOYZRTD-ZEQKJWHPSA-N 470.617 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1810504507 ZSZIZRAYHHWBSP-REWPJTCUSA-N 454.014 5.355 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1811219605 AIFOELUPSTVFLB-GJZUVCINSA-N 496.127 5.414 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)cc12 1811418827 ATWRXPYESGFGMG-RXFWQSSRSA-N 497.986 5.030 30 20 JKED CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1812029558 KOACZNYBYYAZLB-OZXSUGGESA-N 487.003 5.193 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c1 1813868357 LYGZOBBAKOHIGG-DPIKVRQVSA-N 470.617 5.165 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)C3(C#N)CCC3)[C@H]2c2cccnc2)cc1 1814046711 CQVCRVALAFHPGM-AKAODXPDSA-N 484.644 5.227 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2)cc1 1814500336 NFSJALSALQCLHY-NRFANRHFSA-N 482.371 5.137 30 20 JKED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1)c1ccc(Cl)cc1 1814659597 DYLSKJHTZSZGQQ-SBUREZEXSA-N 475.980 5.239 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1)c1ccccc1 1815020109 JQRUVVNNDAOVFI-FYYLOGMGSA-N 482.575 5.425 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1815218656 PLUWQAUGMMLYRD-VGSWGCGISA-N 487.560 5.048 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1815244369 XTCXWJJXXXMFTD-ICSRJNTNSA-N 493.555 5.170 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1815653158 BPJKVLADIPUYMB-MRXNPFEDSA-N 475.039 5.503 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)[nH]n1 1816462855 HAZBLWBEPAAZSV-JOCHJYFZSA-N 491.567 5.168 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](S)C(C)C)[nH]n1 1817742399 FTADVNWRRCIMHH-URXFXBBRSA-N 477.634 5.040 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occc4c3)n[nH]2)cc1C#N 1818709863 XDAATKMCCRRBDP-QHCPKHFHSA-N 497.555 5.434 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1818798062 HSKPRNBUKZXDFQ-SGWGQVFISA-N 494.642 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)[nH]n1 1819555760 ZUFMFLNXPQGTSB-XMMPIXPASA-N 471.605 5.770 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N3CCCC3)c(F)c2)n[nH]1 1820194207 RPAKJZWTISAWSW-RDPSFJRHSA-N 479.600 5.223 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)cc2c1 1820219347 PKBRBLXVVZTSKA-QFIPXVFZSA-N 486.963 5.344 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434866 LHGORECPOGMWHC-NRFANRHFSA-N 457.534 5.058 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc(C#N)c4)n[nH]3)c2O1 1820485425 MDHGBLFHBVXYKS-HSZRJFAPSA-N 483.572 5.005 30 20 JKED C#CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3c4ccccc4n4ccsc34)sc2C1 1821190676 DPNQRLIVJFZAAB-INIZCTEOSA-N 476.627 5.030 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1821275985 WOAKVFKAHPICBY-NMXNWIABSA-N 483.503 5.186 30 20 JKED CC(C)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310541 BVLRHYTXNNJGKP-LJQANCHMSA-N 461.488 5.042 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)cc2F)n[nH]1 1821327029 AJUIESFHLYOYLN-QHCPKHFHSA-N 468.573 5.410 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1)c1ccccc1 1822038183 AZUXNJBDTKVVBN-NBGIEHNGSA-N 469.589 5.100 30 20 JKED Cc1cc(F)cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1822497493 GVRZFAOJWFIZHS-KOSHJBKYSA-N 473.552 5.033 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1)NC(=O)OC(C)(C)C 1822983144 SJGPEBBNVURXCR-FCDUAZGNSA-N 499.656 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)[nH]n2)c1 1823214404 DJXQYZYISAOMGC-QRWLVFNGSA-N 472.574 5.199 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)[nH]n2)c1 1823214742 JSHIXXKLKVQQNV-CBWILVQCSA-N 497.624 5.231 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ncccc34)[nH]n2)c1 1823215058 MCHSJKJVQBVSFI-IQGLISFBSA-N 478.556 5.205 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)nc3Cl)[nH]n2)c1 1823218327 QPNWBOLQSXTEOA-KUHUBIRLSA-N 497.386 5.358 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823307285 OLGXYWUFIFMBHI-IBGZPJMESA-N 498.933 5.371 30 20 JKED Cc1cc(F)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1823317058 AOFKSJQLRHRHPF-SBUREZEXSA-N 459.525 5.104 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2c(Cl)cccc2Cl)CC3)cc1 1823495208 DUIOPYKLVMYYNJ-HNNXBMFYSA-N 485.396 5.056 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc4occ(Cl)c4c2)CC3)c1 1823670703 RWHCSVOPVKYRIC-AWEZNQCLSA-N 494.935 5.093 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)cc1 1823681870 CKFSYBIQSMBWQE-AREMUKBSSA-N 496.026 5.146 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2OC(F)(F)F)CC1 1823914857 WYDJKWABNNOYTG-GOSISDBHSA-N 474.470 5.030 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1824053413 XJJJVHCGOAFIDD-SKZDWMOJSA-N 495.623 5.570 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 1824146125 QYZLOIGQOIRNAJ-RUZDIDTESA-N 450.623 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)CC1 1824441610 NJAPRVCEWGEIDR-HSZRJFAPSA-N 476.633 5.445 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1824508178 BAMMFRXVCYGNSB-SBUREZEXSA-N 491.554 5.011 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c2c1 1825099141 NSWGFOUOQGJMEL-MUUNZHRXSA-N 482.628 5.018 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c[nH]1 1825437312 UQODFIUZANTNDA-VWLOTQADSA-N 474.649 5.050 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1825784423 VCBSCVIMVAUJJA-HXUWFJFHSA-N 456.011 5.129 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826780454 IKTMMKFVPHNATG-CGBRIMPHSA-N 485.619 5.196 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827769493 FLXLEDFYHFZGRP-FQEVSTJZSA-N 453.549 5.259 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)CC1 1827850352 LGQYZOWHXHYSPY-DENIHFKCSA-N 463.544 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1828831854 XJDPHKLBSSEGMJ-YTMVLYRLSA-N 499.655 5.563 30 20 JKED C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1829692543 JCSUJCDOYZNCHK-CJFMBICVSA-N 478.036 5.639 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 1830718694 LCCLQLXPZNJRDF-MHZLTWQESA-N 469.560 5.398 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccs3)CC2)cc(C(F)(F)F)c1 1830755489 ZPLNMULLSJEOCA-FQEVSTJZSA-N 475.536 5.186 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2N2CCCCC2)CC1 1831373143 BBJPERGHLCTXKA-WIOPSUGQSA-N 451.655 5.122 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1832030331 LVRJKXCSVFFCTB-RUZDIDTESA-N 466.025 5.315 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1832030718 YFBACKFZJTYFSP-QHCPKHFHSA-N 473.539 5.004 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)c(Cl)c1 1832477218 SVRYHGWDOJBGRF-HSZRJFAPSA-N 454.014 5.025 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)cc1 1832556067 NNOWMRZRPLQOLK-HHHXNRCGSA-N 455.602 5.177 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccn(-c4ccccc4)n3)CC2)c1 1832634727 ZCUIWIYUFROWDG-DFHRPNOPSA-N 495.627 5.046 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1832664502 YNGZSAKHOBSKKU-DEOSSOPVSA-N 494.035 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4cccc(F)c4s3)CC2)CC1 1835340658 FWSDSSBKTUFOLV-UHFFFAOYSA-N 485.669 5.218 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)CC1 1837037631 AMUQVCXNJDYXGU-UHFFFAOYSA-N 479.036 5.013 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)c(Cl)c1 1845348966 GQANRMDDPXRADL-UHFFFAOYSA-N 482.289 5.015 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)nnc1-c1ccccc1 9447783 PSKUMHYLMXCCFG-UHFFFAOYSA-N 497.624 5.100 30 20 JKED COc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OCc1ccc(Cl)cc1 10707726 FIQQTVSXYIPVPI-UHFFFAOYSA-N 490.003 5.147 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1 11247265 YUGWGHGOBPNYHF-UHFFFAOYSA-O 493.986 6.547 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c1 11249167 QYRHCFDKUHRVSL-UHFFFAOYSA-O 451.562 5.799 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Br)cc3)[nH]2)n(C2CCCC2)c1C 11748060 UCJZPICWWNWESC-UHFFFAOYSA-N 499.438 5.370 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nc2sc(C)c(C)c2c1=O 12484132 AZKOSGHAWCRILI-UHFFFAOYSA-N 483.663 5.231 30 20 JKED C=CCn1c(SCc2nc3c(C)cccc3c(=O)[nH]2)nc2scc(-c3cccs3)c2c1=O 16663512 WBRBXUAYCIUKID-UHFFFAOYSA-N 478.624 5.210 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1ccncc1 16726068 OLZLJBUOULRORQ-SFHVURJKSA-N 473.627 5.797 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1C#N 18978096 LPKXKZKHGOUPMF-UHFFFAOYSA-N 476.993 5.504 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccoc1C 21924796 IAOUQMZQLAFYDB-UHFFFAOYSA-N 456.877 5.436 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nc2sc3c(c2c1=O)CCC3 23405435 QCWHJGMRHOSPGA-GJZGRUSLSA-N 479.627 5.237 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC 23871482 RRLWDRKMZUEHRC-AWEZNQCLSA-N 477.417 5.416 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1 24099169 SXXMVJLZFCQAKQ-SFHVURJKSA-N 451.548 5.095 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1-c1ccc(Br)cc1 26217671 HLRHCWWNESUMEM-UHFFFAOYSA-N 478.375 5.115 30 20 JKED C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 68760641 SIWVIELRTMDAEX-HXUWFJFHSA-N 495.608 5.278 30 20 JKED C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 110936043 GRTURSGTCWWRLR-NRFANRHFSA-N 483.572 5.235 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1[C@@H](C)c1ccccc1 195659174 OQEGGUVBDUIQGF-HRAATJIYSA-N 470.598 5.381 30 20 JKED C=CCOc1ccccc1C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 195722495 WAXPSKPOIIXRFN-KRWDZBQOSA-N 452.942 5.170 30 20 JKED CCN(C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H](C)c1ccc(C#N)cc1 302949951 BVYDJLPVECDOEP-IRXDYDNUSA-N 453.995 6.098 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 302981417 KLLRLFAKXLRDQY-UHFFFAOYSA-N 483.572 5.252 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 303055857 SQDKAYYSUUJLPB-UHFFFAOYSA-N 456.527 5.895 30 20 JKED C=CCn1c(SCC(=O)NCC(C)(C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 485841677 HLHCLOURPYQSBC-UHFFFAOYSA-N 458.990 5.110 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 501136703 UYEJKCFROUMDCQ-UHFFFAOYSA-N 488.551 5.433 30 20 JKED Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 501425037 PXGRRLPKPORILI-UHFFFAOYSA-N 467.525 5.768 30 20 JKED CN(C)c1ccc2cc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)ccc2n1 501897750 XMQLKWUZJZMAFR-UHFFFAOYSA-N 481.581 5.156 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1 508250909 KIBJVWMTBWFYGS-UHFFFAOYSA-N 479.483 5.713 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 509231647 CIXYLGMRXXYFSU-UHFFFAOYSA-N 465.557 5.579 30 20 JKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510009071 CREHNZAUGLCEHY-QFIPXVFZSA-N 460.965 5.715 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2cnn(-c3ccccc3)c2)cc1Cl 510023558 LYWLESUFGDLTCC-XMMPIXPASA-N 455.949 5.545 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(Cl)c3c(c2)OCCO3)cc1 511392149 UJHGMLMDPRYMBB-UHFFFAOYSA-N 463.921 5.078 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccccc1F 514294503 RRNGXJATGKKVIU-GFCCVEGCSA-N 495.458 5.317 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc1 516269944 GEMAMHDEDHFSHI-JOCHJYFZSA-N 463.522 5.816 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCc2ccc(F)c(Br)c2)cc1 516542757 AYROBPGTWLQMQR-UHFFFAOYSA-N 469.379 5.725 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 518263116 SWIWIIYTLBSBIV-QFBILLFUSA-N 450.589 5.525 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(CN2CCCCCC2)cc1 520109935 YIRNOQXNZLQZOZ-UHFFFAOYSA-N 486.410 5.113 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(N3CCCCC3)nc2)cc1OCC 520205787 CXNQBYLUTLDXLD-UHFFFAOYSA-N 460.416 5.088 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cs2)cc1OC 520559626 HYIBAGLQZIEMFJ-UHFFFAOYSA-N 471.538 5.672 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 521719222 CBHJDUSDYUBSRJ-KRWDZBQOSA-N 464.974 5.840 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 521812754 GQENWMRLTAHIDP-KRWDZBQOSA-N 453.589 5.211 30 20 JKED COc1cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1SC 524438560 KJQGYQOYHRUDEJ-UHFFFAOYSA-N 461.587 5.840 30 20 JKED N#C[C@H](C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1nc2cc(C(F)(F)F)ccc2s1 589244772 CKNKQNKBWCASRN-CQSZACIVSA-N 461.465 5.992 30 20 JKED O=C(COc1ccccc1OCC(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 589857318 RCRNTMXNOOTTLC-GHMZBOCLSA-N 467.328 5.032 30 20 JKED N#C[C@@H](C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 590207979 JHKFBOTYUFXMBC-FQEVSTJZSA-N 498.435 6.413 30 20 JKED O=C(c1cnn(-c2ncccc2Cl)c1C(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593661911 QSSZTGIEYSZLEU-RKDXNWHRSA-N 476.755 5.061 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603692885 QDDXJDPDGCMVFQ-UHFFFAOYSA-N 488.935 5.893 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4ccc5ccccc5c4)o3)c2C#N)C1 603726685 RQCWFOFBQOZECO-OAHLLOKOSA-N 474.611 6.069 30 20 JKED CCN(C(=O)c1ccc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)s1)[C@@H](C)c1ccc(C#N)cc1 603737816 VAWUTEDQHIOXAT-PMACEKPBSA-N 484.625 5.938 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 603738487 JFGXBEJJJQGXKG-KRWDZBQOSA-N 471.517 5.451 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1Cl 603766283 QGLJHEPAPIUCIR-HSZRJFAPSA-N 457.986 6.224 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603921144 OOYXWTSWPNCHCH-UHFFFAOYSA-N 454.505 5.526 30 20 JKED CN(CCOc1ccccc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604164188 LPPCFYRLNPIMGV-FQEVSTJZSA-N 482.367 5.125 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(OCC(F)(F)F)cc1 604430392 LJHXMDJCKXLDHV-OAHLLOKOSA-N 456.424 5.569 30 20 JKED CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 604497651 VMEWEYVOTKVYLD-UHFFFAOYSA-N 498.004 5.474 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 609031115 BGNCSZFFDBKZSN-UHFFFAOYSA-N 469.541 5.418 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C 609072759 ZOKJSTWBUGOBQH-UHFFFAOYSA-N 489.579 6.092 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(CNC(=O)NC(C)C)cc1 609095720 AZKFOBLRCPBUPD-UHFFFAOYSA-N 458.537 5.060 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)nnc2N2CCCC2)cc1 609370731 SCLQQJKZGIUWAD-IBGZPJMESA-N 492.674 5.301 30 20 JKED CC(C)CC[C@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Cl)cc1 609437909 WVYWAMCVYWJOCZ-PXNSSMCTSA-N 458.027 5.966 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 610926927 XSIYQHCTGNSFPC-RUZDIDTESA-N 470.573 5.012 30 20 JKED N#C[C@@H](C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 613393497 KWEKSXMBRULOJH-RRNJLGJUSA-N 459.615 5.223 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618538000 GBUBYOPQUOJJMS-CHWSQXEVSA-N 477.371 5.900 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 620676086 MQXKYGAMZBPTIM-UHFFFAOYSA-N 497.045 6.249 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(OC)cc1 644495921 SUSRCESKAPNGAD-UHFFFAOYSA-N 488.617 5.063 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 726394454 VTYKFOKHFBTPPG-AUUYWEPGSA-N 497.514 5.230 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2C2CC2)cc1Cl 726406691 LUAUOUPKAXWBOQ-GOSISDBHSA-N 492.910 5.353 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 726415402 KTXFBEPFXRKNFN-JOCHJYFZSA-N 499.539 5.506 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCC(C)C)C1=O 726421171 LNPABRYUFHBKDP-QOTVRNNISA-N 459.637 5.193 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N/[C@@H](C)c1cccs1 726422202 VQAOQFKGXQEQIQ-QDKFNBQJSA-N 457.621 5.141 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726565687 KFQBPSUZEWFTFR-UHFFFAOYSA-N 477.511 5.137 30 20 JKED CN(C)c1ccc(/C=C2/N=C(SC[C@H](C#N)CCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 726782919 QYJNWHPTVZSDJU-OVBDPADQSA-N 495.555 5.274 30 20 JKED Cc1cccc(-c2cccc(CNC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)c1 726857059 RBAUJTNMEMANPY-MUUNZHRXSA-N 459.549 5.572 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c1 728182586 ZJUKHYGOHAFVAY-LJQANCHMSA-N 453.464 5.125 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2F)c1 728200870 RDRXNFIDWBTLQL-UHFFFAOYSA-N 477.845 5.999 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)nc2)nnc1-c1ccc(Cl)cc1Cl 729173874 CJFLMQUXNOYSBL-UHFFFAOYSA-N 454.770 5.217 30 20 JKED CCOc1c(Br)cc(/C=C(\C(=O)c2cccc(OC)c2)c2ncc[nH]2)cc1OC 729240515 QZMNCMLPZIHVEZ-LICLKQGHSA-N 457.324 5.012 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)c1OC 729429669 ONFFRRRWRYOBDY-LJQANCHMSA-N 480.977 5.120 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(C)C)cc1 729631672 KWOQPANDEPPQFL-XMMPIXPASA-N 488.613 5.338 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 730444318 MBAKXTHRKHFJHV-OAQYLSRUSA-N 482.993 5.148 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCc3c(C)noc3C)C2=O)cc1 730444751 OUJDQCRHTCYCNV-QFIPXVFZSA-N 497.020 5.456 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCCSC1=Nc1ccccc1 730447650 DCGJZHVVFACSAC-KRWDZBQOSA-N 462.662 5.004 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(C2CCC2)C1=O 730460010 RSLZAIBXIIFXDE-JOCHJYFZSA-N 451.592 5.297 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2cocn2)cc1 730720766 VJOJVELZINMFJF-IBGZPJMESA-N 488.491 5.162 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@@H](C)c3cccnc3)C2=O)c1 730943269 BAPSDONSMUPMKP-CYFREDJKSA-N 488.613 5.429 30 20 JKED COc1cc(/C=C\C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1OCc1c(C)noc1C 731198964 RMCXYSMPCFBKBQ-WLXIZUKCSA-N 473.573 5.571 30 20 JKED CCN(CC)c1ccc(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 731363370 GILYTVLIXSKISN-ZIAGYGMSSA-N 457.434 5.381 30 20 JKED N#C[C@H](C(=O)CCCOc1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)cc1Cl 743449090 IKDRVDYNDGWSNE-GFCCVEGCSA-N 460.144 5.807 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCOC(C)(C)C)C1=O 746697894 PELSRLYDHLSBCB-FQEVSTJZSA-N 490.025 5.124 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cscn2)C1=O)NCc1ccccc1 747600517 BNFGWEMZRMYHDD-QHCPKHFHSA-N 486.622 5.135 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cscn3)C2=O)cc1 747601458 VGCJURLSIKMWEU-QFIPXVFZSA-N 494.642 5.319 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cs1 748584798 UHEWQFWRQNNOHO-IZZDOVSWSA-N 467.934 5.334 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 749338985 WITOPKFCAWFBBL-INIZCTEOSA-N 480.418 5.167 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1 750394554 HZXFJOLBSWJKAL-QAPCUYQASA-N 498.008 5.018 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C=Nn1cnc2ccc(Br)cc2c1=O 767308051 JYBNOOLOANUSMG-UHFFFAOYSA-N 484.357 5.202 30 20 JKED N#Cc1c(NC(=O)CCSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)sc2c1CCC2 828603376 ACMVINJHYRQYMA-GOSISDBHSA-N 478.643 5.272 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 837300569 HWQLAOWJYXHVJW-CJAUYULYSA-N 498.583 6.095 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)c([N+](=O)[O-])c1 837537286 HOHMVIKWHWQWSF-VGOFRKELSA-N 489.557 5.020 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](C)c2ccccn2)C1=O 837882061 ZUNGDTUOKMKMHE-AOMKIAJQSA-N 495.004 5.465 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CC(F)(F)F 838511206 KVGMTKNYIVFXMF-MRXNPFEDSA-N 489.878 5.010 30 20 JKED O=C(Nc1cccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)c1)c1ccc(Br)o1 901380285 ROOHYALNSSPZSJ-UHFFFAOYSA-N 484.133 5.633 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N([C@H](C)Cc2ccco2)C1=O 914690883 ILNZHJKXUPSUKQ-JPYJTQIMSA-N 477.586 5.188 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 915086176 HPXFMZCGSAWIHD-HSZRJFAPSA-N 452.539 5.232 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(CC2CCC2)C1=O 915116669 MMFAOKSWQJPDRP-QFIPXVFZSA-N 451.592 5.072 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 915353428 NHJCZHDQQPGAOD-SANMLTNESA-N 458.993 5.735 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2cccs2)cc1 915741313 RPPFNHXGFRJBJK-IXCJQBJRSA-N 493.632 6.200 30 20 JKED N#CCOc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 915742605 VNLDTXLZWBRAQB-UHFFFAOYSA-N 454.330 5.065 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccc(F)cc2)cc1 916211613 QFOQSUSGNWRFGE-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cnn1-c1cccc(C(F)(F)F)c1 916887952 QHXDNMZVMNKOGR-QGZVFWFLSA-N 494.445 5.475 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916904426 COAPRHHSYJINKL-QFIPXVFZSA-N 481.577 6.109 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 916945749 CLSOWBQZTBLHMW-QGZVFWFLSA-N 482.352 5.264 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cs1 917531567 ZOGAVZVZVGWDRB-UHFFFAOYSA-N 486.984 6.187 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccc3ccccc3c2)cc1 917610622 NTGMDRLBZQNFOR-UHFFFAOYSA-O 496.656 6.556 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccsc3)C2=O)c1 917663984 RSOZQSRCUOMMSY-OAQYLSRUSA-N 465.600 5.226 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917680925 INBDVRJUVJNGJI-VJBWXMMDSA-N 497.064 5.236 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N(Cc2ccc(NC(C)=O)cc2)C1=O 917697762 NKZMYMYHMSACGF-HSZRJFAPSA-N 494.661 5.160 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc3ccccc3c2)n1 917700071 GULSXNHNLKMBPH-VWLOTQADSA-N 498.583 5.843 30 20 JKED CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 917727656 AIZUGHDBHFWBGD-UHFFFAOYSA-N 498.004 5.096 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 918313201 YBVYRMCEEFHNBB-SXOMAYOGSA-N 467.569 5.433 30 20 JKED COc1ccc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC)c1OC 918491779 HPJLKYUOKDYQLR-AWEZNQCLSA-N 464.465 5.150 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918671359 NNPGTIZJKOYXMD-JPIVSMNTSA-N 487.284 6.327 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 920203003 AYGSAVGBWCDADM-VWLOTQADSA-N 495.579 5.028 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2Cl)no1 920355087 JVEWPNQWILCQHM-IBGZPJMESA-N 489.384 5.450 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2[nH]c(C)c(C(C)=O)c2CC)[n+]2cccc(C)c2)C=C1 920393684 YSINRKUKQAFXFB-UHFFFAOYSA-O 492.621 5.268 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 920806417 KVLFGIPTPDTOHI-OAHLLOKOSA-N 472.538 5.647 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 921102117 AELDPKPBGNMCCW-CQSZACIVSA-N 459.980 5.326 30 20 JKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)cc1 929071146 ZSIHLVRXVPUXPS-UHFFFAOYSA-N 462.553 5.297 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@@H]4CCC(F)(F)C4)cc3)CCC2)cc1 1785800598 RGIJXXXNLQLLGS-HXUWFJFHSA-N 451.517 5.060 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCCCC4)cc3)CCC2)cc1 1786374265 NJYSZYLCLAIWCE-OAQYLSRUSA-N 461.606 5.016 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccns4)cc3)CCC2)cc(C(F)(F)F)c1 1787205062 RHUBAHDTESMYRT-UHFFFAOYSA-N 470.476 5.095 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)noc3C)cc2)CCC1 1787267567 HBNSNUNVRQMHNZ-LJQANCHMSA-N 474.561 5.199 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccnc4)cc3)CCC2)cc(C(F)(F)F)c1 1787305878 VOKXEWXKPLPBCN-UHFFFAOYSA-N 464.447 5.034 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5nc(C)ccc5o4)cc3)CCC2)c1 1788322329 JFGZMCHQGBOOLI-UHFFFAOYSA-N 464.525 5.378 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4nccc5occc45)cc3)CCC2)c1 1788343629 NEJXUTNTZKLUFZ-SFHVURJKSA-N 464.525 5.516 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnnc5ccccc45)cc3)CCC2)c1 1788960624 ZYTFWECOMMOJDZ-IBGZPJMESA-N 475.552 5.318 30 20 JKED Cc1ncccc1CCC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789507509 DVOUJAXZADTOGM-UHFFFAOYSA-N 475.709 5.508 30 20 JKED CC(C)(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=N/N4CCCCC4)cc3)CCC2)cc1 1789515197 ZILNPKDWYXJBKE-ZTKZIYFRSA-N 476.621 5.083 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1 1789585469 FPWPYYQCUFAHPY-SAPNQHFASA-N 479.540 5.187 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789995848 SXLFDFYIABEVRS-LJQANCHMSA-N 498.583 5.977 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4ccncc4)CCC3)cc2)c1Cl 1790082002 YWIYVKLOXVZQGP-UHFFFAOYSA-N 472.976 5.377 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCC1 1790215096 UICZOEPXRPXAFK-QFIPXVFZSA-N 481.568 5.043 30 20 JKED CC(C)CC(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1 1790745258 KXIIPHFQFFYZLR-UHFFFAOYSA-N 454.368 5.115 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)cc2)CCC1 1791399708 YVQPJTFQITZDMF-NZQKXSOJSA-N 495.664 5.370 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](O)c3ccccc3Cl)cc2)CCC1 1791748148 HIOJWLCDWDNPMA-NZQKXSOJSA-N 452.982 5.276 30 20 JKED COC1(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)CCC1 1792053153 KJAMJSJZCIQZNT-UHFFFAOYSA-N 496.405 5.028 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cccc(Cl)c3Br)cc2)CCC1 1792178610 MQZJJMADRRFUSI-UHFFFAOYSA-N 460.759 5.154 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn(-c3ccccc3)c3ncccc13)C2 1792571919 OUONHAMSYORETP-UADZTWIMSA-N 470.617 5.270 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c[nH]c3cc(Cl)ccc23)c1 1797444951 YBOHOLUWHJYGAW-KQLYMOGASA-N 460.965 5.014 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2)c1 1799603152 RYKLKPQGTYAGQY-NUNAXRQHSA-N 480.406 5.010 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]4CCCC[C@@H]42)C3)cc(C(F)(F)F)c1 1800740646 DJSSHBAFGOMZDL-QECFBVRUSA-N 487.566 5.435 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)nc2)[C@H]1c1cccnc1 1802332993 COQZVDCNUSVSJC-ZJSXRUAMSA-N 462.638 5.086 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1802495752 DUGNCLDBYIPBQS-NVQXNPDNSA-N 470.617 5.250 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1802499061 ZXZHHQKYNXQXPB-RCZVLFRGSA-N 468.041 5.366 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1803082620 XBXMJAUTZJDOHK-NZQKXSOJSA-N 487.522 5.068 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1803092716 KMSRHFAVZGXHTK-UDIDDNNKSA-N 477.571 5.225 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 1804620298 MJDBUVMPHKIEOX-BUUPBASBSA-N 489.701 5.044 30 20 JKED O=C(CCCc1ccc(C(F)(F)F)cc1)N1CCC2(CCCN(C(=O)C(F)(F)C(F)F)C2)CC1 1806495607 RXBHZHXNNHSWRS-UHFFFAOYSA-N 496.467 5.160 30 20 JKED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1806869552 RYRQFRBLJZLVON-BHBYDHKZSA-N 488.676 5.755 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2c2cccnc2)C1 1808489384 LBWQLGFWNZGVIH-CJFMBICVSA-N 475.976 5.281 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@H]1c1cccnc1 1809687278 DBAYAMBIECGYKB-UQBPGWFLSA-N 496.533 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1810500626 ALELLAXHTISDPS-NMIHRBCNSA-N 479.587 5.449 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@@H]1c1cccnc1 1812593006 WXQSYYGYHQJQIZ-LZFQIVBZSA-N 460.405 5.229 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@H]1c1cccnc1 1812667982 OQBBWVDWWYITEE-PXNSSMCTSA-N 498.496 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1812830879 NEAZNDCFLBFODZ-VPUSJEBWSA-N 461.650 5.446 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)[C@@H]1c1cccnc1 1813053316 TXIJJNFWPFXFRP-FYBSXPHGSA-N 490.607 5.124 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1)C(F)(F)F 1813220687 DUIIRJJFDYSMKQ-ISKFKSNPSA-N 499.577 5.416 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)ccc2[nH]1 1813867110 BQDDMPGYKADBNE-XECDKEEKSA-N 491.595 5.132 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)nc4ncccc34)[nH]n2)C1 1814396353 AKGHWEPQUQGBKR-RUZDIDTESA-N 492.583 5.292 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](F)c2ccccc2)n[nH]1 1815556473 ACTVMFSBPKORPN-URXFXBBRSA-N 468.649 5.164 30 20 JKED CC(C)c1csc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)n1 1816064513 YVPZQKUWNNXLDL-KKSFZXQISA-N 476.606 5.236 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c1 1817822985 XCHPKNMNPSFSJV-FQEVSTJZSA-N 473.558 5.028 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)c2[nH]1 1818651551 MVVXAXHJLNLLAN-HSZRJFAPSA-N 489.696 5.556 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)[nH]n1 1819306665 BUVALVTZXBCFHQ-LQLDXXRJSA-N 462.619 5.058 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)cc1 1819385133 IWDNPWFLLJJRDF-XMMPIXPASA-N 494.712 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)[nH]n1 1819554118 GRTGQMPIDXTFRM-HSZRJFAPSA-N 490.608 5.107 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(-c3cccc(OC)c3)c1)CC2 1819595988 GYEFWXXCMCOTAF-CTNGQTDRSA-N 490.629 5.141 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)c[nH]3)n[nH]2)cc1 1820307659 HIIYQMMSOCNTSQ-VWLOTQADSA-N 478.556 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C(F)(F)F)n[nH]2)c1 1820470487 RPKDAMQHZINCEH-AOMKIAJQSA-N 495.505 5.675 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1 1820548154 AMYDBWIIHBOTRE-NRFANRHFSA-N 459.550 5.100 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)[nH]n2)c1 1821272665 MLUPBFZCLPYJBX-VGSWGCGISA-N 491.954 5.110 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1 1821277185 LXTZTONYUZXOGL-HSZRJFAPSA-N 491.979 5.343 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c1 1821321131 BCTYUFBONGTLRZ-NRFANRHFSA-N 465.916 5.002 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)[nH]n2)c1 1821325594 JYTWCDOZIUGMTH-XMMPIXPASA-N 498.974 5.411 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4c(Cl)ccnc4c3)n[nH]2)cc1 1821383994 DYCUNWCIYWIKFX-DEOSSOPVSA-N 498.974 5.297 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1)C(F)(F)F 1821428902 LYDGDLSGYUAJDV-GOSISDBHSA-N 477.874 5.036 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@H](S)C(C)C)[nH]n3)sc2c1 1821524314 BGFUHKFZMIRCEJ-LAUBAEHRSA-N 456.637 5.193 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821611167 IGDKNVORBMHCPP-JTSKRJEESA-N 487.560 5.416 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)s1 1821692688 LGLKUJVKZUCCSI-FQEVSTJZSA-N 476.606 5.090 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)c(C(F)(F)F)c2)n[nH]1 1821861244 NGOPDFHARUVQCT-KRWDZBQOSA-N 488.432 5.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cn3ccc4c(F)cccc43)[nH]n2)c1 1823210847 IZYYVPHOENGIQD-CJAUYULYSA-N 498.562 5.137 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2Br)CC1 1823930784 YQFJEHVXQUQEQM-LJQANCHMSA-N 487.360 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cnc2C)CC1 1824139242 HVJAEMLUAXBVIE-QHCPKHFHSA-N 488.470 5.154 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1824513206 WEMXQRBJQHGYCK-DYESRHJHSA-N 467.437 5.126 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c(Cl)c1 1824642055 UWHITJJPRIUPLL-QUVATAORSA-N 493.957 5.178 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cncc(F)c2)CC1 1826059092 DEDKJGJHINZQOC-LJAQVGFWSA-N 495.598 5.168 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828217250 OCCXHXBWPMOHGN-ISKFKSNPSA-N 464.606 5.449 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)c1 1828460341 RGBPEGYURLBJBP-IXDWGBGWSA-N 461.650 5.398 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828656616 JEVPNLLFXSTEEX-ZHRRBRCNSA-N 489.479 5.154 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 1829069088 JDVIXGCYUPWXPG-HXUWFJFHSA-N 465.560 5.326 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2SCc2ccccc2)CC1 1829492190 FCVPDVQZURCNAL-DEOSSOPVSA-N 463.647 5.183 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829998082 UTQJVPJCRFFXIR-UQBPGWFLSA-N 497.561 5.880 30 20 JKED CC(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830057809 VQIFCNWKQDJVLT-MHZLTWQESA-N 457.618 5.423 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1830361428 PHOSHDJWRDPLFP-AREMUKBSSA-N 481.656 5.466 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830476190 HVBACLWLPQMZOH-FDDCHVKYSA-N 464.984 5.620 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2)CC1 1830590596 FJFUGOKPWLPAQG-VWLOTQADSA-N 462.638 5.098 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c2O1 1830628294 HXBCMNASPNHNON-MHZLTWQESA-N 499.655 5.403 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831060743 RRJTWTQJJZQZDL-RUZDIDTESA-N 456.586 5.623 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1831372702 HQEGRBWPSCALIC-JTSKRJEESA-N 486.454 5.376 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831376048 IMTDAQZLHQYVHX-VGOFRKELSA-N 468.535 5.219 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1831377745 LDORDNFSZHDAQC-DVECYGJZSA-N 456.602 5.060 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1831447320 GKYTWVKZZBDYFZ-QFIPXVFZSA-N 478.555 5.059 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1831848505 ISIWEVINYRQOQS-VWLOTQADSA-N 479.571 5.064 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)CC1 1832662054 QHEPVOGMTKZVBF-ZJSXRUAMSA-N 459.030 5.350 30 20 JKED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)ccc1F 1841409451 SGEGWYOPLMAPNR-UHFFFAOYSA-N 494.010 5.071 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10755935 HDBLNFWTBKMJPL-UHFFFAOYSA-O 463.385 5.537 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)Nc1ccc(SC(F)F)cc1 11113397 DTQGHTRTLUVAMC-UHFFFAOYSA-O 499.672 7.200 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(CO)c2)c1 11128899 GEALOTBLRQSHCO-UHFFFAOYSA-O 459.513 5.153 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(SC(F)F)cc2)[n+]2ccc(N(C)C)cc2)s1 22690300 UPXCABXZOCLCOJ-UHFFFAOYSA-O 478.635 5.776 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)NCc2ccccc2)cc1 22730638 ZIQWLQSTIRZBTM-UHFFFAOYSA-O 454.413 5.028 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 22731075 CRFFGMQAXKZHOI-UHFFFAOYSA-O 466.360 6.172 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cccs2)nc2sc(-c3ccccc3)cc2c1=O 22823132 ZMCXGGZOEMCEHR-UHFFFAOYSA-N 467.641 5.123 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 26982434 CEJGUKVPMDTXSS-SFHVURJKSA-N 470.602 5.497 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 28779387 SCXQQEROHWQVSC-UHFFFAOYSA-O 483.013 6.193 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1[C@H]1COc2ccccc2O1 39524599 MUGZZMAFQVNBIF-OAQYLSRUSA-N 496.589 5.444 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(NC(=O)c2cccnc2)c1 60323090 SIZOFWNXXWTVQS-UHFFFAOYSA-N 468.326 5.064 30 20 JKED Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nc(C)c(SCC#N)s3)[C@H]2c2cccs2)cc1 107899203 HPNAZUHMWFNGEB-APWZRJJASA-N 468.629 5.170 30 20 JKED N#CC1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccc(Cl)cc2)CC1 195745647 HNPHWAAYSZVECW-UHFFFAOYSA-N 455.949 5.176 30 20 JKED Cc1ccc(/C=C\c2nc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n[nH]2)o1 210024556 OFCQGTISWASGIK-BMSUMIBZSA-N 453.593 5.198 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nc(O)c2c(C)c(C)sc2n1 255930843 OOZOSJMGNBLHDQ-AWEZNQCLSA-N 488.038 5.877 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)CC2)c1 409628065 UEERZSQSMKJIFF-AREMUKBSSA-N 488.538 5.181 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H]3CCSc4ccc(Cl)cc43)cc2F)c1 481263050 WKATWCAIDJVHTO-NRFANRHFSA-N 495.963 5.222 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 483378904 MSNMLBLSSVRKHZ-RUZDIDTESA-N 499.586 5.247 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1C 498555607 BNZJLIFFULKGDC-UHFFFAOYSA-N 485.975 5.196 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CCC#N)Cc1ccccn1 505194148 XZAZVRVUHXSAAE-UHFFFAOYSA-N 456.930 5.052 30 20 JKED CC(C)CCN(CCC#N)C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 505197303 OLVAXFKLIMMLLI-QGZVFWFLSA-N 468.648 5.474 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 506638504 DDNFVSJVFFRLNB-UHFFFAOYSA-N 485.617 5.051 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(N3CCCCC3)nc2)cc1 508242965 OILZKMLRQMZMPJ-UHFFFAOYSA-N 457.534 5.066 30 20 JKED COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508284681 YXCYWGCOZNIGCQ-JOCHJYFZSA-N 457.530 5.607 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)cc1 509095608 TUTOXZSMDRJGCO-MRXNPFEDSA-N 458.543 5.668 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1 512334293 PGQJKBITJODMKE-UHFFFAOYSA-N 462.431 5.594 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 513883298 ZRXMWNJEJZCBPX-HHHXNRCGSA-N 456.565 5.246 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)c2)c1 515931017 WZCJGEBRGDXLPU-UHFFFAOYSA-N 475.508 5.707 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 516412297 OITQFMOUHUVVFI-FQEVSTJZSA-N 481.339 5.355 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C#N)c4cccc(Cl)c4Cl)cc3)o2)cc1 518710187 PJOSXXRSXXQWSM-FQEVSTJZSA-N 463.324 6.014 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 520136864 AAIHCXDJRGRSFZ-WOJBJXKFSA-N 490.604 5.199 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)c(C)c1 520164707 DYWSCTMWLHBRJU-QGZVFWFLSA-N 474.611 5.815 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)Nc4ccc(F)cc4)CC3)c2)cc1 520599603 APARDGWYLZQTNV-UHFFFAOYSA-N 458.493 5.372 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 520837083 JGEFEOKMAYSRGB-QGZVFWFLSA-N 459.596 6.624 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 520840377 JUACEMZJSVXHIH-HUUCEWRRSA-N 499.061 5.840 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@H](C)c1ccc(F)cc1 523636192 JUUCSZFDJZXBEG-QGZVFWFLSA-N 461.493 5.046 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)cc2)c1 524390621 XJADKBQDGNFODY-UHFFFAOYSA-N 486.531 5.148 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 524439451 XIXGPNNKGZEIBQ-VWLOTQADSA-N 469.520 5.229 30 20 JKED CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524440871 FZNFXQNPPPTPIP-UHFFFAOYSA-N 450.882 5.363 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1C#N 566964668 HULYLPYPUYLWHA-FQEVSTJZSA-N 478.639 5.456 30 20 JKED Cc1sc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)c(C#N)c1C 603444652 MPWRQIVRZCEULU-UHFFFAOYSA-N 484.375 5.269 30 20 JKED C=CCN(C(=O)c1ccc(Br)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459416 YMWMHJUNILSGND-UHFFFAOYSA-N 450.339 5.375 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 603669453 MSPUIZBFSYDCJS-UHFFFAOYSA-N 457.555 5.565 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1 604146945 QAEVSSXSLPQFAG-RUZDIDTESA-N 473.548 5.313 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccc4ccccc4c3)C3CC3)cn2)c1 604426766 XYWVMUNQKXSTKE-UHFFFAOYSA-N 462.509 5.028 30 20 JKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604522819 BKNNQTUWJIGZNO-LEAFIULHSA-N 469.585 5.963 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCC3(c4ccc(Cl)cc4)CCC3)c2)cc1 608894186 CBRYXFUODZBGMK-UHFFFAOYSA-N 487.987 5.162 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3Oc3ncc(Cl)cc3Cl)o2)cc1 609057908 ZXXXFPBEYSDRQO-UHFFFAOYSA-N 480.307 6.477 30 20 JKED COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OCc1ccc2ccccc2n1 609081270 SLPWXXKXCZASIX-UHFFFAOYSA-N 480.568 6.137 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(C(F)(F)F)c1 609088934 HGIKLBKYNNMWFX-INIZCTEOSA-N 469.410 5.021 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609163392 KAFDVWQIDKZPNJ-UPVQGACJSA-N 478.017 5.486 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 609371058 WQVWUFGCHRSVBU-KRWDZBQOSA-N 491.667 6.121 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1csc(-c2cc(Br)cs2)n1 609377703 COILCLKDCZXUOV-NSHDSACASA-N 464.435 6.138 30 20 JKED C=CCN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 611778000 YQJUDGKESHLIQN-CVEARBPZSA-N 472.554 5.101 30 20 JKED N#C[C@H](C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1ccc2ccccc2n1 613292722 RXLLDIKQEKSISJ-NRFANRHFSA-N 455.311 5.718 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/CCc2ccccn2)s1 726107478 DOWGOLABDPYRBZ-ULOJKKRISA-N 478.643 5.084 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC[C@H](C)OC)c1 726398037 JSUVLAHDPIFKSE-HRAATJIYSA-N 490.025 5.042 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)cc1F 726413255 WROMNKGKAMIRGM-KRWDZBQOSA-N 482.364 5.264 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CC(F)(F)F)C1=O 726422742 YNCGGKIWMJVIGP-RPUFKZTFSA-N 489.972 5.662 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)COC3)cc1 726571317 SFVHWSFNOGYBNW-UHFFFAOYSA-O 462.982 5.415 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 726754980 XQFHRRMNTGJGPB-UHFFFAOYSA-N 459.880 6.323 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2c(c1)CCC2 728424453 BJSRBNIWYHFAAX-CJAUYULYSA-N 495.608 5.163 30 20 JKED Cc1nc(/C=C/c2ccc(O[C@H](C)C#N)cc2)sc1C(=O)/C=C\c1ccc(O[C@H](C)C#N)cc1 728698136 DVEHIZJWKSEKCN-BQSCTSQLSA-N 469.566 6.100 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)c1C 728723399 QUASVGMFUNNDBO-UHFFFAOYSA-N 484.643 5.041 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3scnc3C)C2=O)c1 729141490 AHMRBWVAOWAVMN-NRFANRHFSA-N 478.643 5.537 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729141973 GZOXUSDNDFUFQJ-QFIPXVFZSA-N 492.670 5.846 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 729888250 CWEAOIYRSRPEFK-XMMPIXPASA-N 484.943 5.091 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccccn2)c1 730528041 PYAYDMDDAPHINP-QHCPKHFHSA-N 458.587 5.113 30 20 JKED COc1ccc(-c2ccc(C(=O)OCC(=O)N(CCC#N)c3cccc(C)c3C)c(F)c2)cc1 730609492 MPLIYNCTECMEEJ-UHFFFAOYSA-N 460.505 5.222 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)O[C@H](C)C2 730686484 GQVWZTXDFQHDBC-POMQZKDQSA-N 473.356 5.167 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](C)c2cccnc2)C1=O 730943986 PDLVGPHDVIASTC-YADARESESA-N 488.613 5.592 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12 731074145 OVFVCFJERGZCCP-SFHVURJKSA-N 499.567 6.231 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c1 731312700 OIQQPCBMNLSRFD-KOSHJBKYSA-N 488.613 5.632 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1-c1ccccc1 731313216 UUHBOBGIUROXMC-DEOSSOPVSA-N 489.597 5.056 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 743674765 ISEDCMQMKYQYRT-KRWDZBQOSA-N 491.613 5.487 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744605533 ZOOFEYXCTWBJNZ-UHFFFAOYSA-N 466.733 5.437 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 745949563 CNBXTZZXMWDFHN-HXUWFJFHSA-N 495.670 5.137 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cscn3)C2=O)c1 747601879 WRGRJZQZOOZMAV-JOCHJYFZSA-N 478.643 5.537 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cc1C 748754207 BKXDYJYTZRZJSF-UHFFFAOYSA-N 481.625 5.957 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CC(F)(F)F)C1=O 799215844 QWPUDPPQAJOABR-KRWDZBQOSA-N 485.915 5.180 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc3sc(C)c(C)c3c(=O)n2C(C)C)cc1 832342191 POPFUDAVOIOKPY-SFHVURJKSA-N 468.648 5.392 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cccs3)C2=O)c1 838558220 OUWVZZDCYLXSFC-FQEVSTJZSA-N 487.553 5.195 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1)C(=O)N(C)CCC#N 844259263 IZTCZKOIIZUVMC-CQSZACIVSA-N 491.564 5.241 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)N[C@H](C)c3ccc4ccccc4c3)nc(O)c2C#N)cc1 857991554 KTAPASVLHDNKFB-IAGOWNOFSA-N 484.581 5.241 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 912828483 RVGXQPQGXKEQOH-UHFFFAOYSA-N 495.605 5.672 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)N(CCC#N)c3ccc(C)c(C)c3)nc21 913234252 CXGCVMSANZEQGT-UHFFFAOYSA-N 458.591 5.045 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccccc2COC(C)C)cc1C 914539843 JZNWSQUFGBWJJP-DEOSSOPVSA-N 479.646 5.029 30 20 JKED COc1cc(C=NNc2ncccc2C(F)(F)F)ccc1OCC(=O)Nc1ccccc1Cl 915050251 IEEDBMNBMMTUOP-UHFFFAOYSA-N 478.858 5.226 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 915860103 IUSMFWJDTCPSOJ-UHFFFAOYSA-N 457.493 5.917 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCCC2)cc1 916215702 XXZSBWQZOQXDDJ-QFIPXVFZSA-N 451.592 5.215 30 20 JKED CC(=O)N(c1nc(C=NNc2ncnc3sc4c(c23)CCC4)cs1)c1ccc(F)cc1F 916309905 QKCMXWLKKGTEDM-UHFFFAOYSA-N 470.530 5.045 30 20 JKED Sc1nnc(-c2ccco2)n1N=Cc1ccc(OCc2ccccc2)c(Br)c1 916318526 IIXYPTNCBVSROM-UHFFFAOYSA-N 455.337 5.051 30 20 JKED N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916846772 DYCRKADDZSFFOI-GFCCVEGCSA-N 464.399 5.551 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916938710 MNLNQQFROWRMCU-OAHLLOKOSA-N 473.888 5.202 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 917035142 BWWNSTSKNODKRP-QHCPKHFHSA-N 464.974 5.280 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(F)c(Br)c2)cs1 917560001 PLQDFOLVBWPNSX-UITAMQMPSA-N 479.758 6.279 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2ccc(C#N)cc2)C1=O 917658503 IRBSFYWYYRBZRP-DEOSSOPVSA-N 498.608 5.344 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CCN(CC3CC3)CC2)C1=O)Nc1cccc(Cl)c1 917673519 NTMXRJFNBFLJLN-HSZRJFAPSA-N 497.064 5.175 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](c2ccc(Br)cc2)C2CCC2)C1=O 917673981 LFCLJUVLWRJEIK-CTNGQTDRSA-N 486.435 5.058 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(Cl)c2)n1 917681066 KUIQGWPHCPRWNF-NRFANRHFSA-N 482.968 5.343 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCC2=CCCCC2)C1=O 917704174 UIZKIMTUMXZLPE-DEOSSOPVSA-N 488.613 5.418 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 918470454 KVOAOFKUHITSDP-INIZCTEOSA-N 467.393 5.265 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CCOCC2)cc1 919904394 KBOFPGWZZISDGU-MHZLTWQESA-N 469.585 5.611 30 20 JKED C[C@@H](OC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12)C(=O)N(C)CCC#N 920706826 YDWVXLPCLDELND-ZPIQOJFGSA-N 498.402 5.147 30 20 JKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=Nn3c(S)nnc3[C@H]3CCCO3)ccc2c1 920828200 WGHMEJSBJZWYHR-XMMPIXPASA-N 496.596 5.315 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 920867313 DFNZRVJXCODJHD-KXBFYZLASA-N 494.444 5.545 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccco3)n2[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 921249925 MYJFKYMMSHTKHQ-DISONHOPSA-N 467.620 5.269 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 1781687684 PLTPHVAKJSJVBV-YEEURNOCSA-N 487.084 5.268 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCCCCC(C)(C)C)C3)c1 1782973011 QWYWQDIEERVIPX-FZWQGKLBSA-N 481.681 5.438 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4C4CC4)cc3)CCC2)cc1C#N 1786060574 VPDPFQDUSUXDNS-RPWUZVMVSA-N 457.574 5.139 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)c(OC)c(C)c3)CCC2)cc1 1786367599 WRVMRBJDSODMQK-UHFFFAOYSA-N 450.579 5.043 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H](F)c3ccccc3)CCC2)cc1 1786545192 UMHRNRULSLGMFA-XZOQPEGZSA-N 495.595 5.301 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cccc3F)CCC2)cc1 1786546624 OTBLIZCYMZVRFU-NRFANRHFSA-N 499.558 5.182 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(F)c3)CCC2)cc1 1786546695 UQDOPYGMKYJMOK-QFIPXVFZSA-N 499.558 5.182 30 20 JKED O=C(CCc1cncc(C(F)(F)F)c1)NC1(c2ccc(NC(=O)C(F)(F)C(F)F)cc2)CCC1 1786605891 SVCJCZWARUUQMZ-UHFFFAOYSA-N 491.407 5.068 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)ncc4Cl)cc3)CCC2)C1 1786980354 AKYXFYNRSDEVMB-UHFFFAOYSA-N 474.786 5.211 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)cc2)CCC1)C(F)(F)F 1789293068 QLWQZGNJDOIHHC-UHFFFAOYSA-N 496.411 5.448 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)Cc3cnc4ccccn34)CCC2)cc1)c1ccccc1 1789601979 HQIYHNAJCRRMRZ-MHZLTWQESA-N 490.607 5.208 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5cc(Cl)ccc45)CCC3)cc2)c1 1790072893 BHMWFEWWFFFTDR-UHFFFAOYSA-N 499.958 5.158 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5cccc(Cl)c45)CCC3)cc2)c1 1790146409 NLZHFNAIMZOROP-UHFFFAOYSA-N 457.921 5.083 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/Sc3ccc(C)cc3)CCC2)cc1 1790566674 CWHHHEHVJCVRAI-BBKFTCMMSA-N 465.619 5.536 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCC1 1790648222 JSNOMWKRAOYYKQ-OAHLLOKOSA-N 464.459 5.183 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5n[nH]cc5c4)CCC3)cc2)c(Cl)c1 1790766954 IGYHHDSXOWAQSI-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Br)cc4c3)cc2)CCC1 1790867512 KIKUOTHQPGAFLS-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790947994 QRLJVGIPLZRTGV-LJQANCHMSA-N 483.568 5.767 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H](c3ccc(Cl)cc3)N(C)C)cc2)CCC1)C(F)(F)F 1791129422 XMCOJIJUAZNSTI-FQEVSTJZSA-N 479.930 5.195 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)CCC2)cc1 1791254653 WCPXAKJASKDBRA-CHOVIJNXSA-N 495.664 5.226 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791728890 DPMFZFOCOPMJAW-JOCHJYFZSA-N 495.664 5.351 30 20 JKED Cc1cc(C)n2ncc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@@H](C)C#N)c5)cc4)CCC3)c2n1 1792123477 CZOWIAQHABRAOC-SFHVURJKSA-N 492.583 5.035 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4snnc4C4CC4)CCC3)cc2)c1 1792124050 ZVKWFERSCZKCCL-INIZCTEOSA-N 471.586 5.104 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1 1792171133 BWJAFVAOTYVHBB-HNNXBMFYSA-N 479.474 5.393 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](C)n3cccc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792206753 RRTQPFIQCRPYMG-NZQKXSOJSA-N 494.636 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(Br)cc1F 1793943994 BOITVIUJSSNJLF-ICYIPGRDSA-N 477.418 5.232 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc2ccccc2c1 1796514250 RHZUQPQWXQBMOB-BKFWDETESA-N 471.626 5.073 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Cc1cccc(Br)c1)C2 1798337972 ZPYIXZQGHDLGQQ-CZIXKKEKSA-N 473.455 5.034 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccoc1C(F)(F)F 1800406916 MLJJOWQYRRMPOO-CLLJXQQHSA-N 478.364 5.022 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800812810 YFSMBYNXAHFBDJ-XGAJZPNHSA-N 499.611 5.685 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(OC)cc3)CCC2)[C@H]1c1cccnc1 1802499739 IQMDAAZDNCTSGE-BVAGGSTKSA-N 489.660 5.210 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)C4CCC(c5ccc(Cl)cc5)CC4)CC3)C2)C1 1804776240 FTZYCUFHNRMYPW-UHFFFAOYSA-N 469.069 5.811 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc5scc(-c6ccccc6)c5[nH]4)CC3)C2)C1 1804782616 UZOJAHMKBNNEMD-UHFFFAOYSA-N 473.642 5.707 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(F)ccc3Br)C2)CC1 1805121957 OJBLQQAKWLRATC-IBGZPJMESA-N 477.418 5.201 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc(Cl)sc4Cl)CC3)C2)c1 1805328950 FQNPHMUFKNDHHB-UHFFFAOYSA-N 490.456 5.404 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC2(CCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)CC1 1805334962 ISEXHIRHQAPKDL-LJQANCHMSA-N 487.090 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1805369917 FDWUERWYGNRTLQ-JYFHCDHNSA-N 486.616 5.357 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(s2)CCC3)[C@H]1c1cccnc1 1806061601 ZOVABLKHZICKHA-BKMJKUGQSA-N 493.749 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1806089217 QYYYBEKERJIIFI-NFBKMPQASA-N 476.646 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1810500207 MUPIMHCASHPYSB-XUZZJYLKSA-N 480.052 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810504845 IBKWSVXBKFOTJC-RBBKRZOGSA-N 473.539 5.412 30 20 JKED CCCOc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1812026212 BKWXEVWYJVOSNH-JKJMAWGESA-N 496.611 5.131 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cccc4c3oc3ccccc34)[C@H]2c2cccnc2)C1 1812301275 AFZQIXRPSLMWLI-FQRUVTKNSA-N 465.553 5.267 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@H]1c1cccnc1 1812955056 DEVSCCJYKBOVQY-VXFGQUIQSA-N 485.550 5.211 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1812958246 KRDYSBNDNPNRNQ-RSXGOPAZSA-N 483.603 5.274 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CCCCCCCCCCC(=O)OC)[C@H]2c2cccnc2)C1 1814220359 CXIWDKGIGSUGKJ-UFHPHHKVSA-N 497.680 5.128 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1814441959 KAGVVSCEFSJXIM-MRXNPFEDSA-N 452.477 5.320 30 20 JKED O=C(CCCc1ccccc1F)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1814851399 AYWKIZRQAACQRA-QZMUEMGWSA-N 494.592 5.064 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815587652 LIJMTPKAYMVNDY-UKILVPOCSA-N 491.680 5.306 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)c1sc2ccccc2c1Cl 1818607502 YIKDAOGMCPIVDK-GTPWMTBTSA-N 499.040 5.055 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]2)c1 1818867823 IVRDOZZCTGWGGH-CQOQZXRMSA-N 487.991 5.353 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)[nH]n1 1819311128 NAIWYUYFNCXFTM-RZUBCFFCSA-N 499.656 5.030 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820089456 LUVBWYWXVFVEDL-CYFREDJKSA-N 491.617 5.411 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820221154 OUOZPGSXNFLHFG-NRFANRHFSA-N 491.979 5.180 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820223152 JDUFNCHWFBCZGR-ZHRRBRCNSA-N 486.963 5.182 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)Oc2ccc3ccccc3c2)n[nH]1 1820711988 KJGHGRZHRZBCRA-HSZRJFAPSA-N 492.645 5.332 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821026605 GWBPWUOYYAAJAE-GOSISDBHSA-N 480.943 5.368 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)n[nH]2)C1 1821787451 QJLKLAJHUPYABM-IERDGZPVSA-N 474.527 5.277 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)n[nH]2)C1 1821856054 PUDPKQQRSQPQNY-NRFANRHFSA-N 452.986 5.143 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1Cl 1823215805 FWRCJOQLBPIFLW-OPAMFIHVSA-N 491.979 5.318 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(F)c1F 1823216663 YTRREFMHYFFEDA-HRAATJIYSA-N 477.515 5.243 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1824050446 WDPUCYXPBCFDMF-AFMDSPMNSA-N 494.035 5.257 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1824144089 ZEVKNUZYYMQOBI-SANMLTNESA-N 460.622 5.078 30 20 JKED Cc1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1824681356 HOLDLZZSVHMXSJ-HSZRJFAPSA-N 479.646 5.263 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1824957703 SUBDQVDTHOEKBC-AREMUKBSSA-N 477.674 5.210 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1 1828314780 GFZWONUMMAAGDR-RUZDIDTESA-N 474.004 5.106 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828553050 OUNJMYBBQHHRRX-FQEVSTJZSA-N 493.654 5.147 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1828827216 JVEMGBKXTHOQDI-PXDATVDWSA-N 483.056 5.147 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1828828913 AECAFAPLLMRSKO-GHTZIAJQSA-N 464.984 5.620 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1828905109 HOWSJHWZFCASMV-JOCHJYFZSA-N 495.662 5.318 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)cc(OC)c2F)CC1 1829069228 RUGANLXACBHKBW-QFIPXVFZSA-N 474.617 5.069 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2Cl)CC1 1829862368 GEBORKKRVDNRHC-NRFANRHFSA-N 463.094 5.217 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c1 1830013107 RHPNUERRQBVNNQ-GDLZYMKVSA-N 492.623 5.476 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)CC1)C(F)(F)F 1830591493 WPGXWXQFIOZIFD-HSZRJFAPSA-N 477.571 5.029 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830604072 KLHHSHAHPYNOCQ-LADGPHEKSA-N 473.057 5.740 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830606042 IOWXKKHFIPWTHQ-MUUNZHRXSA-N 491.676 5.310 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)cc1 1830629337 WFVCPUREDLBJQY-SANMLTNESA-N 490.554 5.059 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)s1 1830717532 WSHRDBLIZNCDOY-HSZRJFAPSA-N 496.652 5.434 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)cc2c1 1830721621 KIAQDPFORLYAOB-SANMLTNESA-N 489.019 5.549 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc43)CC2)c1Cl 1831977013 GSZYBOAYMWXEHT-NOZRDPDXSA-N 476.020 5.175 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ccc(Br)cc23)CC1 1832028437 OFSIYESQWZQKOG-DEOSSOPVSA-N 498.465 5.357 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1832034498 MPJJPEAZICIGIL-GVAUOCQISA-N 499.493 5.366 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(=O)c3ccc(Cl)cc3)CC2)c1 1832629510 SHMOKFKKSKVCRX-DFBJGRDBSA-N 492.019 5.083 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2n1 1832630773 MNPUCMYMKQPAGR-KBMIEXCESA-N 484.600 5.310 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)c1 1832632349 NUDGSJBBGYLPRN-HOYKHHGWSA-N 474.630 5.404 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)c1 1832634304 UPFWEEKKXJHBKK-JPYJTQIMSA-N 498.549 5.275 30 20 JKED COc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1832635793 SEJSHNCJTZYLKZ-RXFWQSSRSA-N 473.617 5.178 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1C#N 1832704727 QYZCXRUQSDBXRW-VWLOTQADSA-N 495.570 5.171 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832704779 UMNRQTQWPVYPDI-MHZLTWQESA-N 498.627 5.073 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3c[nH]c4ncccc34)CC2)c1 1832866080 JBWPAJUHBSJVRD-KDYSTLNUSA-N 497.643 5.056 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)CC1 1836696375 JBZIWLHXKQHDKC-VAWYXSNFSA-N 476.617 5.213 30 20 JKED C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)C1 1845048626 DZTOZTMKPKEFDL-HWELCPFYSA-N 477.624 5.453 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)c1ccc(Br)c(C#N)c1)C2 1846087105 SVRFFTWEVRSRRR-UHFFFAOYSA-N 474.443 5.134 30 20 JKED CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 2237527937 UFHCCUPNYQKILB-UHFFFAOYSA-N 483.505 8.141 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1ccc(F)cc1F 10179238 DPFLKXWUQJZQLN-UHFFFAOYSA-O 454.305 5.316 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 10831874 SDZWHONCBVDHEG-UHFFFAOYSA-O 486.060 6.886 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082738 OZIQNROSZHXQHB-UHFFFAOYSA-O 462.397 6.342 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccc(C)c(F)c1 11082805 MQUVMJOIFBGXAF-UHFFFAOYSA-O 469.605 6.702 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(C(F)(F)F)c2)c1 11128615 NNFJYUJJGLLUJD-UHFFFAOYSA-O 451.440 5.630 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 11260002 ILOMKICGVJJBBD-UHFFFAOYSA-O 489.567 5.903 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OCC)c(OC)c3)n2)nc2ccccc2c1=O 15231150 FXECIPUTOJUATG-UHFFFAOYSA-N 465.600 5.406 30 20 JKED COC(=O)c1ccc(COc2ccccc2/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1 16440377 CJFWPXXJBKWQEY-HAHDFKILSA-N 472.566 5.561 30 20 JKED COc1ccc(-n2c(SCC(=O)NC3(C#N)CCCCC3)nnc2-c2ccc(Cl)cc2)cc1 22129154 MUGYZLMZUMUFNQ-UHFFFAOYSA-N 482.009 5.031 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 22730594 YSCRTBUDUGEHMW-UHFFFAOYSA-O 466.026 5.956 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 22732163 JTODQALZOUUXGO-UHFFFAOYSA-O 451.587 5.824 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccccc2OC)cc1 23580413 WSHADIFLHMTHAZ-UHFFFAOYSA-O 450.628 5.882 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 32787498 VLJGFCXPJITYSL-HOTGVXAUSA-N 475.445 5.720 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(C)o2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 59359985 LJRBNBJYCZIXOX-QGZVFWFLSA-N 468.586 6.199 30 20 JKED CC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccccc1OC(F)F 71944252 HRNPKMRLWQVJTK-OAQYLSRUSA-N 464.472 5.685 30 20 JKED Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)cs2)cc1 105224197 IFCRXRPANJTZSZ-UHFFFAOYSA-N 484.581 5.252 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 303334816 KJWWCDRMTVQLOA-INIZCTEOSA-N 460.584 6.015 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)CC(F)(F)F)nnc1-c1ccc(Cl)cc1 476170822 RUJUQGGSSKHNDS-UHFFFAOYSA-N 480.943 5.468 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 499211642 IBNUCJFUMBNUGX-KGENOOAVSA-N 468.538 5.665 30 20 JKED CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)nnc1-c1cccc(C)c1 501145375 UPLVHFIOZDGZKE-UHFFFAOYSA-N 499.615 5.918 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 501152448 XYXBIYMXCQCEJT-HXUWFJFHSA-N 475.589 5.608 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)cn2)c1 501385061 CDASMOFWNYUXCB-UHFFFAOYSA-N 467.550 5.835 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)c1 501693534 XKTADCKTZIRQMG-RUZDIDTESA-N 455.583 5.269 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(NC(=O)C2CC2)cc1 502673021 WUFFNVPWIVVQQG-LJQANCHMSA-N 468.557 5.563 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)c2)cc1 503183086 XBSMNAUDBOJIKW-UHFFFAOYSA-N 496.588 5.558 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1ccco1 503257966 XNFYVSQUKVZIAO-HNNXBMFYSA-N 479.587 5.157 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 503540788 YQMFMHJBRYAFHG-JOCHJYFZSA-N 461.587 5.571 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)c1ccc(C(F)(F)F)nc1O 504742426 VLULOUCWARDISO-UHFFFAOYSA-N 492.322 5.825 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 506498306 CWGFUOZYGBWOPM-UHFFFAOYSA-N 484.625 5.135 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2csc(Br)c2)cc1 508244533 ZJXAJSVBMPDTFA-UHFFFAOYSA-N 458.337 5.505 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1 510658297 OEJGEBPCNOLDPF-UHFFFAOYSA-N 450.498 5.646 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nc2ccccc2s1 513676243 BCZMQFUEZXPKBW-MRXNPFEDSA-N 453.317 5.721 30 20 JKED CC(C)CNC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513981398 LMDIUGJZOPPENZ-UHFFFAOYSA-N 458.537 5.317 30 20 JKED C=CCN(C(=O)c1ccc(COc2ccccc2OC)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514560573 RROWOKXSXRLKAX-UHFFFAOYSA-N 491.525 5.732 30 20 JKED COc1ccc(OCc2nnc(Sc3ccc(C#N)cn3)n2-c2cccc(C(F)(F)F)c2)cc1 514979498 AKZJNWHGYCRAEI-UHFFFAOYSA-N 483.475 5.292 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1 516733803 VXNRMFYPGCIALX-FQEVSTJZSA-N 453.420 5.099 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 517533348 VXTISYOXDLOEOS-DJJJIMSYSA-N 496.391 5.065 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2C)cc1Cl 518740268 RXPDJPWCPOJPDY-INIZCTEOSA-N 453.011 6.026 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 519028268 GFUFJTROUQDOIS-UHFFFAOYSA-N 489.959 5.503 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 519180798 GMEZRNSOXRZXFG-UHFFFAOYSA-N 468.557 5.428 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC(c2cccc3ccccc23)CC1 519438405 IHHGNAGWSHDTQU-IBGZPJMESA-N 457.599 5.436 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CCC(C)C)cc2)cc1[N+](=O)[O-] 519874330 AKNLIQPVAIVBPD-UHFFFAOYSA-N 461.522 5.221 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 520176835 MBRBYDGTOCDGBX-UHFFFAOYSA-N 484.478 6.112 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 520835859 XWGFDKUNSOIUPL-UHFFFAOYSA-N 486.544 6.269 30 20 JKED C=CCN(CCc1ccccc1)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 520961434 VMDNQCROBRPMKB-UHFFFAOYSA-N 475.639 5.554 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](OCCC)CC2)c1 521730646 QGPKHHVLGMSWEE-HSZRJFAPSA-N 491.053 5.143 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 521755924 RYNBQQHQIUSXHE-QGZVFWFLSA-N 462.619 5.011 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2Br)cc1 523221648 ODDMIUWADVGVKS-UHFFFAOYSA-N 452.327 5.372 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 524289477 XLXFTCKRKCLPLG-NRFANRHFSA-N 490.563 5.329 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 557702170 PZGZAFKGZAEQLK-HSALFYBXSA-N 465.619 5.501 30 20 JKED C=C(C)COc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)c1 589552777 ISIMTIYPJAWLQJ-SANMLTNESA-N 487.987 5.756 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 591037154 DCUSFEOCYDHAHY-UBHSHLNASA-N 483.453 6.091 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccncc3)C4=O)c2C#N)C1 602285540 YLRIOSOEIXCDMG-GOSISDBHSA-N 498.608 5.214 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 603969441 VMDBGFARAUXJRM-UHFFFAOYSA-N 494.605 5.660 30 20 JKED CN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCCc2ccccc21 604160739 SOXOAYCWKCKFMV-ZCYQVOJMSA-N 457.961 5.470 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)Nc3nc(C4CC4)c(Cc4ccccc4Cl)s3)cc2)c1N 608926623 DLWXATHYRWOXGQ-UHFFFAOYSA-N 474.977 5.157 30 20 JKED N#Cc1ccc(N2CCC(NCc3ccc(-c4ccc(Br)cc4)s3)CC2)nc1 608982821 BZSLCQPLSWGAQU-UHFFFAOYSA-N 453.409 5.203 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1Cl 608994905 VTZPYBALSFPBTL-YKSBVNFPSA-N 467.903 5.879 30 20 JKED COc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccc1OC(F)F 609062924 KSXDEYGTHMQTCQ-UHFFFAOYSA-N 458.848 5.653 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)o1 609164826 XLZBXBYQXNOGNX-FQEVSTJZSA-N 462.962 5.867 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 609369632 GUMBXAMKTLFTHE-SFHVURJKSA-N 489.626 5.711 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 609430644 SGZMCJMJSRZZJQ-AWEZNQCLSA-N 484.375 5.941 30 20 JKED N#C[C@H](C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1nc(-c2ccc(Cl)cc2)cs1 612941646 KXUAAWNCRGFUKF-JOCHJYFZSA-N 497.963 5.750 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 612941702 OWXKACSEVQXOPI-HNNXBMFYSA-N 491.794 6.123 30 20 JKED N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1nc2ccccc2n1C(F)F 613403294 FMNRZNSAQWRTMJ-GOSISDBHSA-N 472.426 6.383 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)cc1OC 613404589 OWLYMOWKLQIRFM-CYBMUJFWSA-N 489.500 5.946 30 20 JKED C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 616003518 ACOLTPVTYDCFNK-LLVKDONJSA-N 455.326 5.114 30 20 JKED O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cc(F)c(F)c(F)c1F 657208275 AHILSCHLEXIMJY-UHFFFAOYSA-N 492.372 5.315 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 668816777 NLHJKBRSPSYZCN-KRWDZBQOSA-N 496.061 5.740 30 20 JKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)c1cn(CCC#N)c2ccccc12 680941673 HTKJZGNLXWCTRE-UHFFFAOYSA-N 457.361 5.005 30 20 JKED CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 726073594 KATGRAFJRBOEKO-UHFFFAOYSA-N 487.560 5.134 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)S/C2=N/[C@H](C)c2cccs2)no1 726418660 ACQMVPZILKIQPM-ODZCJOBESA-N 489.022 5.288 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(C)sc2C)cc1 726569518 CAGMRWSOADWXMP-UHFFFAOYSA-O 480.679 6.063 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 726688640 AXOYRAUTRQAUKD-AREMUKBSSA-N 498.560 5.123 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 726755691 UEXHNYUCSUAHPX-WYMLVPIESA-N 482.540 5.028 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 728424352 ZLSFEXYBYMOWBL-YADARESESA-N 483.597 5.292 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cocn2)c1 730727345 PIIXZHWEBSGFRT-NRFANRHFSA-N 466.538 5.098 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 730942153 GQLDYKYJXTWLHQ-FNZWTVRRSA-N 494.620 5.634 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 730943972 OPWDVIOFAGQROG-KKSFZXQISA-N 464.978 5.457 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 731309072 SKQNTPQCVJRVQZ-FDDCHVKYSA-N 474.586 5.126 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2Cc2ccc(OC)cc2)ccc1OCc1ccccc1 744746962 NONAXXKKMVSCAL-UHFFFAOYSA-N 474.586 5.026 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cscn3)C2=O)cc1 747600118 NNAXNTURBALXLG-OAQYLSRUSA-N 464.616 5.229 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(Cc3cscn3)C2=O)cc1 747601134 DIAOOHFBGPUAOY-NRFANRHFSA-N 494.642 5.319 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cscn3)C2=O)cc1 747602714 MGKWSTSEGWYIKE-HXUWFJFHSA-N 468.579 5.060 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cscn3)C2=O)c1 747602847 OXLLLFDKPQRLGK-JOCHJYFZSA-N 478.643 5.537 30 20 JKED C=CCN(C(=O)COC(=O)[C@H](C)c1c(C)noc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 750271153 ROFVTRLIHHQLMA-GFCCVEGCSA-N 494.400 5.588 30 20 JKED C=CCN(C(=O)COC(=O)[C@@H](C)c1c(C)noc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 750271159 ROFVTRLIHHQLMA-LBPRGKRZSA-N 494.400 5.588 30 20 JKED N#Cc1cccc(CSc2nnc(CSc3nc4ccccc4s3)n2Cc2ccccc2)c1 752878232 BQVIDJYBUWYBRG-UHFFFAOYSA-N 485.663 6.392 30 20 JKED COc1cc(C=NOCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Cl)c1OC 823638282 QWTKBSMXBSOJFK-UHFFFAOYSA-N 451.228 5.019 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)nc(O)c2C#N)cc1 824935498 IBPXQXUVYXWRDN-QGZVFWFLSA-N 498.564 5.641 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837395874 XCKWVKNCXPWNML-OPAMFIHVSA-N 480.540 5.390 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccccc2C)C1=O 838533282 IPZYTAUEHGEIDC-QHCPKHFHSA-N 495.551 5.442 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 838545863 KJMJCBMWPOZTTF-SPLOXXLWSA-N 484.503 5.220 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 914838392 BUMGNOKBSDDGHL-MRXNPFEDSA-N 492.428 5.117 30 20 JKED C=CCN(C(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2)C(C)C 915155219 JQQQSSCBETYCQM-HKWRFOASSA-N 472.585 5.784 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 916120059 HOZWLDAHMVRHEY-UHFFFAOYSA-N 463.515 5.292 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)c1 916205998 LBTMAFAQQPUNJG-LJQANCHMSA-N 479.524 5.330 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl)c1ccccc1 916622776 LAONDMWXJSXFMF-LJQANCHMSA-N 498.999 5.287 30 20 JKED CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1OCC(=O)N(C)C 916680900 MPIFNXSRNJCNLS-DQEYMECFSA-N 470.573 5.082 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 916710714 FPGXJUJPZKQKHM-ZVZGQBRVSA-N 483.421 5.031 30 20 JKED N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)C(=O)Nc1ccc(SC(F)F)cc1 916887484 OXOPTNRYSPEQTA-AWEZNQCLSA-N 463.556 5.441 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 916903078 KJTXTZCKAUFCRW-XMMPIXPASA-N 493.611 6.074 30 20 JKED CCOc1cccc2c1OCC(C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)=C2 916908185 ZDUAUTQXHNZUSS-OAQYLSRUSA-N 454.482 5.001 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc(-c3ccccc3)nc21 916915446 DHVJVHVVYBFRSW-QFIPXVFZSA-N 459.509 5.233 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cc1NC(=O)c1ccccc1F 916918247 OHLVLLPOHHVCSD-JOCHJYFZSA-N 465.484 5.501 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)sc2C)cc1 916944608 JEIGYYQKGPYZKC-IBGZPJMESA-N 459.354 6.000 30 20 JKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 916945476 WBVKEIGMORVPLR-OAQYLSRUSA-N 453.325 5.447 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043826 PHYISFVBTJBLBL-OAHLLOKOSA-N 461.465 6.152 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)o1 917328343 RCQWUIDVMZQRFS-UHFFFAOYSA-N 469.375 5.156 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C(F)(F)F)c2)n1 917656066 UIVBUBPECPHTML-NRFANRHFSA-N 498.530 5.569 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917703808 PGBMRLFILLRIEW-VGOFRKELSA-N 474.611 5.211 30 20 JKED Cc1sc2ncn(N=Cc3csc(COc4ccccc4)n3)c(=O)c2c1-c1ccccc1 918709441 KMNPFKTZKWVREG-UHFFFAOYSA-N 458.568 5.351 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C\c2csc(COc3ccc(Cl)cc3)n2)SC1=S 918782272 BACIMKQIUHBLSV-GIJQJNRQSA-N 470.000 5.653 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)o1 919512330 DSCRRWQZACTDLB-VWLOTQADSA-N 452.466 5.267 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)[C@@H](C)c1ccc(C#N)cc1 919863292 XKXMXYZRKRBPSV-PCYKQNFTSA-N 459.571 5.194 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920110125 LNQRSPZJFMEOMU-APPDUMDISA-N 492.334 5.624 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 920188871 OYLAIHBQVKPEQB-UHFFFAOYSA-N 482.584 5.246 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 920789116 SLRXNRVRNOAEIS-KRWDZBQOSA-N 498.379 5.564 30 20 JKED C[C@@H](Nc1ccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1)c1ccccc1 920809022 CCYMNNRUTYKBTL-HXUWFJFHSA-N 490.629 5.097 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 920869994 RAZMASQTTQYZRP-OXQOHEQNSA-N 493.551 5.257 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)c(C)c2Cl)C1 1782888947 AEOLDGYEQZLSCF-CJFMBICVSA-N 481.464 5.422 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)C5CCC(F)(F)CC5)cc4)CCC3)c2c1 1786246035 LXAMCZDDXTWNRY-UHFFFAOYSA-N 477.515 5.008 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)cc2)CCC1 1786308501 HGYIODCIUMJGEJ-RUZDIDTESA-N 489.616 5.108 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C(F)(F)F)CCC2)cc1 1786364113 CLYCJZPDCCFANG-UHFFFAOYSA-N 489.538 5.150 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cn(-c4cnn(C)c4)c4ccccc34)CCC2)cc1 1786678443 RVRHFIVMIKCKPE-UHFFFAOYSA-N 499.640 5.031 30 20 JKED CO[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C)cc(C#N)c3)CCC2)cc1)c1ccccc1 1787853234 IADHXYCQGGBNKJ-VWLOTQADSA-N 453.542 5.002 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](N)c3cccc(Cl)c3)cc2)CCC1 1788053502 VKKARCGJHIJVHI-GOTSBHOMSA-N 451.998 5.242 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(Cl)cccn34)cc2)CCC1 1788387067 VDEGLEBFUWPFIM-FQEVSTJZSA-N 462.981 5.504 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)cc2)CCC1 1789193384 VPNHXLAQSJHQKF-WNXIRNOKSA-N 453.627 5.528 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1789558400 JHOQBWOMYCREPH-KSWAXPHNSA-N 494.979 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)CCC2)cc1 1789625742 VTCIEYOPTHQCNI-UHFFFAOYSA-N 496.673 5.149 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3Br)cc2)CCC1 1789823500 GNYIYSVTBHUIJU-IBGZPJMESA-N 468.395 5.360 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]5CC[C@@H]4N(C(=O)OC(C)(C)C)C5)cc3)CCC2)C1 1790418939 NHRDFFCDXCCPGI-YGOYIFOWSA-N 493.648 5.122 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4c5ccccc5S[C@H]43)CCC2)cc1 1791298757 URLLGVIXGYXAEN-QHAWAJNXSA-N 454.542 5.220 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)CCC2)cc1 1792265180 ASGOLSWBRVGIQS-UHFFFAOYSA-N 498.480 5.191 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)CC3CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1792271813 SKNFMFAURWWOII-QFIPXVFZSA-N 469.626 5.170 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C34CCC(CC3)CC4)CCC2)cc1 1792331634 AHIDBYDYNNYMPR-CBTZJSNWSA-N 493.648 5.008 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)ccc2s1 1798080138 APDRFDQNQLJAJL-REPLKXPHSA-N 473.436 5.109 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1NC(=O)OC(C)(C)C)C2 1798339781 FKKPIFUREBLRQY-WOZUAGRISA-N 467.610 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C2 1798339971 IROOGJLBIANCBY-XMTFNYHQSA-N 454.920 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1798401215 DHNPLUDBDUAQFD-HYOIWIKGSA-N 495.664 5.544 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2oc(-c3ccccc3)cc2[nH]1 1801079686 TVFRSKXGVOIRKS-WKCHPHFGSA-N 459.590 5.672 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CSc2ccc(C)cc2)[C@@H]1c1cccnc1 1802495820 FMJOAQOXOUWMNN-WIOPSUGQSA-N 465.663 5.181 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1803086981 PVCHAHZJQNYDNT-SQJMNOBHSA-N 477.992 5.569 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)s1 1804470233 QZEKQYHQPXXTEN-SZJUTTIESA-N 486.641 5.031 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1804842482 BCLFOEOUHNEWPK-SHQCIBLASA-N 484.644 5.697 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H](c3ccc(Cl)cc3)N(C)C)CC2)C1 1804866754 MMRHDJHPXVUGBV-QHCPKHFHSA-N 474.089 5.166 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cc(Cl)c(F)c(Cl)c4)CC3)C2)cc1 1804945657 QDWPUWKHLNZHMQ-UHFFFAOYSA-N 488.390 5.092 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)CC2)C1 1805457827 ZUJFNZBEBDSLKY-UHFFFAOYSA-N 479.621 5.016 30 20 JKED O=C(/C=C/C(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1)c1cccs1 1808974413 HBQHONRZMDXAMG-RBFPLYSUSA-N 495.604 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1809404710 RDBWFWDDPCFJPZ-HYBUGGRVSA-N 479.024 5.528 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1810172368 ASBQQXVDHAWSPW-YMPZKCBVSA-N 471.523 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1810175641 NGUIQLPPZLUQPC-IMSXRSKXSA-N 451.998 5.131 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C2(C(F)(F)F)CCC2)[C@H]1c1cccnc1)c1ccccc1 1810444254 OOJUXKRCSAFSPO-SGNDLWITSA-N 497.561 5.017 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1811185932 HYBPLDZOFNJGKQ-BIYCFNCWSA-N 486.660 5.160 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1811790048 HRYHFYVQWLAUAC-RGVCCXDYSA-N 480.612 5.103 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1813231902 ZTPHVVSIBZJZII-MBSDFSHPSA-N 491.941 5.267 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c1 1813867318 CYXUYKZCKQSHNZ-OUPRXKBMSA-N 484.581 5.150 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)[nH]n2)cc1 1814499257 ZVKBBUKRXHHBFB-DEOSSOPVSA-N 498.974 5.032 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1814731238 JNEACDNTSGJAPM-HHJKRLRDSA-N 485.588 5.155 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1815219107 FGXXBGABPHTJFU-NBGIEHNGSA-N 474.605 5.087 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1815653297 CJNPUBVXVPHLSC-QFIPXVFZSA-N 475.618 5.005 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1817119066 RUFAGAGDRUJWKW-DEOSSOPVSA-N 478.556 5.235 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccco3)no2)n[nH]1)c1ccccc1 1817833491 HLKALMIVDYAZAH-NZQKXSOJSA-N 497.555 5.161 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)[nH]n1 1819384145 IDDKWJMIVSYVDC-HXUWFJFHSA-N 478.660 5.278 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccoc3s2)[nH]n1 1819384893 AGQUFVJLSVXOAV-IBGZPJMESA-N 482.682 5.574 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OCC(F)(F)F)cc2Cl)n[nH]1 1820186887 GHXLZIPJOLZJBO-IBGZPJMESA-N 496.917 5.114 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274656 KCSLEKKDXGSXLL-AOMKIAJQSA-N 494.020 5.421 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)[nH]n2)c1 1821325768 PAQCOWZRCSSWRF-XMMPIXPASA-N 498.974 5.411 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occc4c3O)n[nH]2)c1Cl 1821502474 CXTBPEBIJNEKMO-LJQANCHMSA-N 489.919 5.006 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1)C(F)(F)F 1821523810 FJGCUXBGFXRELY-IBGZPJMESA-N 497.477 5.575 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1821923149 GSIGSUNWOWEHCP-OXJNMPFZSA-N 458.990 5.368 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1821985822 IGBLQZCJMRIJSY-KRWDZBQOSA-N 475.927 5.370 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1822581861 RWMSTXOOMNDDOB-QFIPXVFZSA-N 484.560 5.046 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1C 1823210810 IQTLHZIGHUHHHB-NLFFAJNJSA-N 469.589 5.202 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823215810 GAYXWZMVPOEQFY-KKSFZXQISA-N 491.979 5.318 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n[nH]1 1823301397 UDOXSONEWXKHFP-UGSOOPFHSA-N 452.452 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(NC(C)=O)ccc2Cl)n[nH]1 1823327266 CWSVKTUDIAFJDI-NRFANRHFSA-N 486.016 5.320 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Br)c4ccccc4c3)CC2)C1 1823700074 JHMTYESIJHECHQ-RUZDIDTESA-N 495.461 5.802 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)C1 1823704152 BERRWKNNOIFDFF-OAQYLSRUSA-N 452.492 5.044 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1824511728 PVGITGBUTIUUQM-FDDCHVKYSA-N 481.464 5.137 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1824960725 KEQWGYVCOSBLHB-GGXMVOPNSA-N 494.701 5.240 30 20 JKED Cc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1826493369 DDBGCZPPSQMART-CUNXSJBXSA-N 457.618 5.098 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC#N)CC2)cc(C(C)(C)C)c1 1826693290 DPNQKFMXARRDMN-VWLOTQADSA-N 465.682 5.819 30 20 JKED CC(C)n1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(F)(F)C(F)F)CC2)c(C(F)(F)F)c1 1827779054 WCKMNWYDUUBAQG-QGZVFWFLSA-N 499.471 5.222 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828168704 TYCJVJSRLOQOPS-PXNSSMCTSA-N 475.054 5.379 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1828419467 IBNCSQLKLPRNRW-FRPAHBMMSA-N 489.582 5.465 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(CC)CCC2)CC1)NC(=O)OC(C)(C)C 1828479026 RQYMUGJCXWYVLR-XZOQPEGZSA-N 489.701 5.046 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828602105 QPJWLWPZLCFZHE-FQEVSTJZSA-N 460.640 5.193 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)Sc3cccs3)CC2)c1 1828777480 HYCZNYVWHGGECH-FDDCHVKYSA-N 497.686 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)nc2)CC1 1828825328 VKSNUZCYEHQXBM-ZEQRLZLVSA-N 451.655 5.381 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(N(C)C)cc2)CC1 1828829489 ILCLJLBVPWRJLD-SVBPBHIXSA-N 465.682 5.073 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)CC2)c1 1829419667 XTZCOFRFBODTOW-XMMPIXPASA-N 484.625 5.229 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CC2)C1 1829568651 AIIDKPZKBBBPAL-XMMPIXPASA-N 472.589 5.022 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)c1 1829684702 VHONBZWFRQLWFI-VWLOTQADSA-N 480.008 5.076 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cc4ccc(F)cc4)c3)CC2)c1 1829775312 BUOQEBLKHXDRQA-MUUNZHRXSA-N 498.602 5.163 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830109115 CACLDVIEMLKMBI-RUZDIDTESA-N 480.008 5.157 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1830419454 QXUNGGXXNXBXGM-RCZVLFRGSA-N 487.710 5.039 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1830682389 CRCWCIIWBSVGIV-NDEPHWFRSA-N 496.655 5.657 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c(Cl)c1 1830721251 FFAITGVUQPTOMJ-OAQYLSRUSA-N 492.929 5.106 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1830771333 SSNPYBVFQYKEKA-MHZLTWQESA-N 498.627 5.073 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)ccc2[nH]1 1831033857 VMOYYXXPOAPVOJ-NDEPHWFRSA-N 482.628 5.214 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2Cl)N(C)C)CC1 1831210581 QKMOKBGYZUQQLB-DNRSQYFGSA-N 486.100 5.331 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(Br)cc3F)CC2)C1 1831317102 LAUCOAYAMZWLJW-HSZRJFAPSA-N 491.445 5.107 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 1831442118 LQLGPHCJELDUHV-IBGZPJMESA-N 487.360 5.033 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1831851575 LDLMUHMRLZYJIL-AREMUKBSSA-N 458.602 5.516 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1831858162 GPZKROMMZCGURQ-QGZVFWFLSA-N 460.899 5.307 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1)c1ccc(O)cc1 1831925573 AYEBMNZCTQVKDH-YWEHKCAJSA-N 498.623 5.569 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831969884 CJHBMEIOMUAMKD-NELJVSICSA-N 491.495 5.001 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1)c1ccccc1 1832198669 RNYGCJZXNVKEIL-RLPBLLJUSA-N 483.656 5.302 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2F)CC1 1832722896 CEZSAKHNFXKVEV-QFIPXVFZSA-N 495.408 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1844203365 NIMKRLZBCYCXQE-RPBOFIJWSA-N 464.556 5.470 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1 9413396 IFAMVXJMUIQAJJ-UHFFFAOYSA-N 496.036 5.501 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 10168278 KYXZOZYKHYWXEP-UHFFFAOYSA-O 479.669 6.795 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179227 JCYMXNCVGBELSZ-UHFFFAOYSA-O 461.438 5.850 30 20 JKED CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(F)c(Cl)c1 10359397 JRJWRUUASNJYAC-HSZRJFAPSA-N 476.964 5.699 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nc2sc3c(c2c1=O)CCCC3 11148271 CZYINIXDJBELPV-KRWDZBQOSA-N 467.660 5.567 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(C(C)(C)C)cc2)c1C 11153566 FQZJNKFJFVIHIF-UHFFFAOYSA-O 492.665 5.671 30 20 JKED N#Cc1c(NC(=O)COC(=O)CCc2ncc(-c3ccccc3Cl)o2)sc2c1CCCCC2 12253104 OQAWUTDOZGBMBC-UHFFFAOYSA-N 483.977 5.312 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C(/C(=O)Nc3cccnc3)C(=O)c3ccccc3)c2)cc1 18064587 OGKYKRHIRQXDMH-NLRVBDNBSA-N 477.520 5.248 30 20 JKED C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(OC)c3)n2Cc2ccco2)c1C 21130050 VRXXRSYZLMFBSF-UHFFFAOYSA-N 462.575 5.174 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1oc2ccc(Br)cc2c1C 21945042 DVTFKIBOZYRHGK-HNNXBMFYSA-N 485.334 5.005 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)n(C2CCCC2)c1C 22279507 MOJSUGOIIRZQOM-UHFFFAOYSA-N 454.987 5.261 30 20 JKED C[C@@H](NC(=O)c1cccnc1SCc1cccc(Br)c1)c1ccc(C#N)cc1 31759188 GCSIFWDADROBOQ-OAHLLOKOSA-N 452.377 5.499 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1 43802895 LJUYNUDCQZJZTE-UHFFFAOYSA-N 480.568 5.361 30 20 JKED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)c(Cl)c2)cc1 72038829 YSYKRBZGRWPTTL-QGZVFWFLSA-N 469.994 5.230 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 97542503 NQKQEBSNEMXBEZ-UHFFFAOYSA-N 495.436 5.437 30 20 JKED C=CCn1c(S[C@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccccc1F 219005931 BKZJTIMZRFYBKC-UNMCSNQZSA-N 466.582 5.027 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)CC1 303183030 YTVZGAOGXDUZQN-UHFFFAOYSA-N 464.953 5.262 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 482810996 HNIKFXICIPVHRF-UHFFFAOYSA-N 455.558 5.652 30 20 JKED C=CCc1cc(C(=O)Nc2cc(COc3cccc(F)c3)ccc2OC)cc(OC)c1OC 499500599 SWUWQLRMAXSMRS-UHFFFAOYSA-N 451.494 5.411 30 20 JKED COc1cccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)CCC#N)c1OC 500179033 VLYQIKVMSHIFPS-CIJMEZBMSA-N 455.558 5.361 30 20 JKED N#Cc1cc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)ccc1Cl 500700316 UZMDJFBNNVTKEE-UHFFFAOYSA-N 466.777 5.305 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c3cnn(C(C)C)c3n2)s1 504727194 ZHJZCAAGYLXYKB-UHFFFAOYSA-N 468.633 5.682 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCC#N)CCC(C)C)c1 505187193 HPAKANHDDWMRBU-UHFFFAOYSA-N 474.026 5.123 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 505522791 FJECCJGUDUCUQX-HXUWFJFHSA-N 484.625 5.208 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)cc1 505697362 GYPIHXVEQQRDKY-UHFFFAOYSA-N 458.440 5.582 30 20 JKED COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 507809029 FBFZHZCAHOFNOB-ROUUACIJSA-N 475.545 5.054 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc(OC)c1OC 508009681 HZDULHSHBDZPAW-GOSISDBHSA-N 497.891 5.061 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1Cl 510024128 SHKVNJFMXBMAQG-JOCHJYFZSA-N 487.028 7.017 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc1 510028427 KTRGIHAQBUXMCJ-UHFFFAOYSA-N 460.383 5.592 30 20 JKED CCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 511721143 FEWRMBPEERUSMT-DBZFMOGVSA-N 461.631 5.583 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)cc1 515923483 NWXXWTVZUBZFBU-XMMPIXPASA-N 459.933 5.518 30 20 JKED Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 516264268 KBLCQKIGIHDGNN-MRXNPFEDSA-N 498.351 5.916 30 20 JKED N#C[C@H](C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1nc(-c2ccncc2)cs1 516767759 UQLVRZCDOCFUPR-OAQYLSRUSA-N 461.999 6.641 30 20 JKED CN(CCCCc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517176351 ZEDFZXNHODYYLP-XMMPIXPASA-N 459.977 5.415 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cs2)cc1OC 517462013 YGOANIPQUSUZNA-UHFFFAOYSA-N 493.532 6.104 30 20 JKED CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 518151313 OVSVSHSVRFVUIA-UHFFFAOYSA-N 499.580 5.181 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 518191896 OVEHOPMUEKMRRL-UHFFFAOYSA-N 497.574 5.957 30 20 JKED Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 518245218 JWEDXFDCDGCNCZ-KRWDZBQOSA-N 483.590 5.582 30 20 JKED C=CCN(C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518256494 YAUDGCKSNGXIDM-FQEVSTJZSA-N 468.561 5.043 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 518263115 SWIWIIYTLBSBIV-LPHOPBHVSA-N 450.589 5.525 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(-n3ccnc3C)c(F)c2)cc1OCC 518277520 UPGHCXNJSNUVLB-UHFFFAOYSA-N 474.374 5.336 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCc3nc(-c4cc(Br)cs4)no3)c2C#N)C1 518415464 BOWGKANUHIMMFA-SNVBAGLBSA-N 477.409 5.190 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 520410045 MKQPQJDZYLQAST-DEOSSOPVSA-N 476.945 5.275 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)CC2)c1 520543411 FMTXYTMXAWZYFL-UHFFFAOYSA-N 458.370 5.672 30 20 JKED CCCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](C)c1ccccc1OC 521221672 RFQZTIQQCMZZCK-NRFANRHFSA-N 457.574 6.345 30 20 JKED CN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 522872513 GVENWKVVJQSOBC-UHFFFAOYSA-N 481.325 5.376 30 20 JKED C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1occc1COc1cccc(C#N)c1 523272032 BCDFXHUKWUVFQX-INIZCTEOSA-N 453.336 5.244 30 20 JKED C[C@H](CCc1ccc(Br)cc1)NC(=O)c1occc1COc1cccc(C#N)c1 523272033 BCDFXHUKWUVFQX-MRXNPFEDSA-N 453.336 5.244 30 20 JKED CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 574419347 HOTIIGKCHWIZIQ-UHFFFAOYSA-N 483.012 5.339 30 20 JKED CCCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)cc1 603706118 BZJWOTSSSTWLKO-DEOSSOPVSA-N 459.615 5.736 30 20 JKED CC(C)Cn1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc2c1=O 603759177 WMMGKKNBYFTUKL-QHCPKHFHSA-N 470.960 5.614 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603765501 WLLFQULNVIFPMV-BGYRXZFFSA-N 484.556 5.166 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)c3ccccc3)s2)cc1 608934280 WBNHFBPMWVTROY-QTJGBDASSA-N 470.598 5.018 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 609061647 GIOVMMVGPVQJTG-UHFFFAOYSA-N 471.601 5.107 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 609066964 QAGFMHUXUXDKFM-UHFFFAOYSA-N 461.424 5.339 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609078710 JUQWOWKAMOLNDG-IBGZPJMESA-N 470.573 5.752 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1 609104526 GNYQPQUUKMMAMN-UHFFFAOYSA-N 472.472 5.709 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3ccc(OCC(F)(F)F)cc3)cc2F)c1 609106603 JNHUMBCLHIOGGJ-UHFFFAOYSA-N 480.439 5.018 30 20 JKED Cc1ccc2c(Cl)c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)sc2c1 609149134 SRFLJPQMTHLNJH-UHFFFAOYSA-N 457.005 6.131 30 20 JKED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209087 WNOLWXBACKDGDQ-QFIPXVFZSA-N 470.573 5.105 30 20 JKED CC[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1OCC(=O)N(C)C 609209965 YKEHXLHEMQUXES-DEOSSOPVSA-N 472.545 5.090 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 609378193 TVORIPFVKSEDOG-GOSISDBHSA-N 469.566 5.029 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)n2)cc1 609426983 DKTLRZMMCBOSQH-UHFFFAOYSA-N 454.486 5.371 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)n2)cc1 612894902 ZNMOBVYPLBDRLP-JOCHJYFZSA-N 479.627 5.173 30 20 JKED Cc1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1NC(=O)c1ccccc1F 617898155 QFDLLAPTUQZJGD-KRWDZBQOSA-N 497.473 6.505 30 20 JKED O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618539135 VSZGXGHUFLSOPG-RYUDHWBXSA-N 455.399 5.468 30 20 JKED Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n(-c2ccc(C(F)(F)F)cn2)n1 618541746 GOXPTSMVFTVHRC-VXGBXAGGSA-N 489.342 5.189 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 643151576 SOBQXGNPRTVGAU-UHFFFAOYSA-N 474.532 5.609 30 20 JKED C=CCn1c(S[C@H](C)c2ccc(F)cc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 645073708 VAXKAJBKKYSHJT-QGZVFWFLSA-N 474.627 5.154 30 20 JKED C=CCn1c(Sc2ncc(C(F)(F)F)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 669672222 OYIGKPQYWDHOON-HNNXBMFYSA-N 454.861 5.195 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(C)cc3)n2)nnc1-c1ccc(F)cc1 685867137 OYUOXJSAHAUUKD-UHFFFAOYSA-N 452.580 5.906 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 726317902 FSWNNTRSXHNBPV-IBGZPJMESA-N 452.445 5.332 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(F)(F)F)C2=O)c1 726415045 HFZAMSAXTBPQJX-HXUWFJFHSA-N 493.551 5.613 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 726572430 DUSGFCWBGRHFIJ-UHFFFAOYSA-O 483.563 6.148 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 727058462 OSIZOIRFZRIROS-UHFFFAOYSA-N 455.490 5.068 30 20 JKED COc1cc([C@@H](C#N)NC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc(OC)c1OC 727646880 IADJDFAPKPWIJM-ZMOVQZPESA-N 468.962 5.489 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)cc2)c1 728005102 HWKYVWFCDKSHPK-NDEPHWFRSA-N 474.516 5.844 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 728011157 CXIOERKLLNJBOQ-GASCZTMLSA-N 472.467 5.135 30 20 JKED CNC(=O)c1ccc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C2CC2)cc1 728122046 VJTIXZQCJPYMNO-UHFFFAOYSA-N 488.975 5.347 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(CCCCC#N)C2=O)c1 728777460 KXHXHMVRUZZDDS-JOCHJYFZSA-N 483.037 5.919 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(Br)c2)N([C@H](c2ccccc2)C2CCC2)C1=O 729145106 HZLKKPKYTYHHAZ-PZJWPPBQSA-N 486.435 5.058 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)c1OC 729428167 ASTKRNMYTCFFMD-JOCHJYFZSA-N 489.601 5.369 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cc(F)ccc2F)cc1 729634631 PGOUCZSFUWITGQ-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 729888325 DJNAIHPJFSOJQQ-HSZRJFAPSA-N 498.970 5.481 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O 730461384 NQGHGFVUUOKJRA-IBGZPJMESA-N 463.937 5.439 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@H]2CCCO2)cc1F 730533186 DSNTUJKIARUTCL-DYESRHJHSA-N 490.000 5.235 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)nc2ccccc21 730685504 JFXYIZNHNADPDU-UZUQRXQVSA-N 450.325 5.877 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2c(C)cccc2C)s1 730710397 JZHDDRSMTQLBJJ-PKOBYXMFSA-N 479.631 5.185 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)cc1 730962433 RLJIHCBKXWWCRP-SFHVURJKSA-N 498.320 6.117 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(F)cc(Br)cc2[nH]1 731072985 GWJRYDFJUIFMHP-LBPRGKRZSA-N 490.354 5.259 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)CCc1ccco1)c1cccs1 731311976 JHXMQLZVCJEMTQ-XFHQKTOPSA-N 497.642 5.458 30 20 JKED N#Cc1ccccc1COc1cccc(C=Nn2c(S)nnc2SCc2ccccc2)c1 731314884 XGAGQOKIPAJYPN-UHFFFAOYSA-N 457.584 5.192 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(F)cc3F)C2=O)cc1 745584677 QJCJECZPEIMNAW-HSZRJFAPSA-N 493.535 5.328 30 20 JKED N#Cc1cccc(CNC(=O)COC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 746573912 RXWZSGHVDXQIQK-UHFFFAOYSA-N 453.734 5.206 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 746697016 YOSIYZQHCCFTIS-LJQANCHMSA-N 477.989 5.255 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN3C(=O)c3ccc(Br)cc3)n2)cc1 750396394 WRGIWODYHBNWBZ-TZIWHRDSSA-N 494.414 5.362 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3)n2)n(C2CCCCC2)c1C 763436453 KVHPGOCEYSOYQG-UHFFFAOYSA-N 462.575 5.401 30 20 JKED Cc1occc1-c1nnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)n1-c1ccccc1 808334254 HDSUFQRKUSWHJZ-NRFANRHFSA-N 497.605 5.928 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 837521662 AANGFEWIWGENKE-IIBYNOLFSA-N 498.530 5.822 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1 837742230 ROFWEYFYOHFHJH-QVKFZJNVSA-N 466.513 5.081 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 838285520 USLLWWZNVVPLAX-UZUQRXQVSA-N 476.577 5.505 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CC1 838503978 HPUDITQIMQBGSP-QGZVFWFLSA-N 464.374 5.125 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccccc1OCc1ccccc1 839414550 NGFVXTITNFFKDU-UHFFFAOYSA-N 460.559 5.006 30 20 JKED N#CCCCn1cc(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)c2ccccc21 904479876 QGXHDJPHLXVZAF-UHFFFAOYSA-N 458.525 6.060 30 20 JKED C[C@@H](OC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)C(=O)N(CCC#N)c1ccc(F)cc1 913252716 SNXIXCQGKANCOA-FQRUVTKNSA-N 484.531 5.012 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 913350493 QAGNTZDHICDWGM-UHFFFAOYSA-N 482.323 5.865 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)CCC(C)C)ccc1Cl 914510157 TUBNHIDFCQYVSP-UHFFFAOYSA-N 469.434 5.493 30 20 JKED C[C@H]1Oc2ccccc2N(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O 915103162 QAJGQIJAJCQARK-DOMZBBRYSA-N 472.353 5.107 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 915353685 QDRNTHPOBOCOMI-XMMPIXPASA-N 493.394 5.639 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)cs1 915354210 XLFVBDRXTPCVCL-IQGLISFBSA-N 452.583 6.657 30 20 JKED Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3c(C#N)c4c(n3-c3ccccc3)CCCC4)cs2)o1 915469080 RHOJTCIDRRROAH-UHFFFAOYSA-N 486.553 5.048 30 20 JKED O=C(Nc1cccc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)c1)c1ccc(Cl)cc1Cl 916288505 IAAZSRWHRCCBNE-UHFFFAOYSA-N 497.407 5.778 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cs1 916314193 ZHVNLYLZBWWGLX-UHFFFAOYSA-N 490.610 5.415 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 916450059 ZTQHUSBYYCWZBY-HHHXNRCGSA-N 451.526 5.234 30 20 JKED COC(=O)c1ccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)o2)cc1 916546473 SPVGLVPDGZBWLX-UHFFFAOYSA-N 452.923 5.153 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2)c(C)c1Br 916937696 GIIWWQBUPKAEIM-MRXNPFEDSA-N 489.732 5.005 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)n2)cc1 916974552 LQRVGNBYODDNMC-SJORKVTESA-N 480.387 5.110 30 20 JKED COCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2cccc(F)c12 916975096 ABLKEUSBEBEWBR-AWEZNQCLSA-N 456.951 6.454 30 20 JKED CC(=O)N(c1nc(COC(=O)c2ccc(COc3ccccc3C#N)o2)cs1)c1ccccc1F 917327043 CDTNAVYKZCXTII-UHFFFAOYSA-N 491.500 5.367 30 20 JKED CCOc1ccc(NC(=S)NN=Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917533097 FQYKROISNQHKQZ-UHFFFAOYSA-N 474.011 5.200 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=Nn1c(S)nnc1SCc1ccccc1 917542770 QIHFSDSHQURZFI-UHFFFAOYSA-N 455.012 5.197 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cccc(C)n3)C2=O)cc1 917676492 RLKYEBNPYKVPTI-JOCHJYFZSA-N 479.005 5.512 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CC(F)(F)F)C2=O)cc1 917699671 DXWKWXPKWGXZJD-OAQYLSRUSA-N 499.514 5.565 30 20 JKED CC(C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C#N 917702210 DJSNPADXOWAXRW-HXUWFJFHSA-N 488.535 5.583 30 20 JKED Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)c(C)c1 918040060 UIHHGLYMEKCYSY-QJOKQGFGSA-N 470.639 5.121 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918735006 LDQRBYRLVMFWCQ-BETUJISGSA-N 468.442 5.426 30 20 JKED Fc1ccccc1-c1nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(=S)n1C1CC1 918735815 RCBBVMVATIHNQR-RYUDHWBXSA-N 468.442 5.575 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCc2cnc(C)s2)ccc1Cl 919879510 JEPHKLWAXNZNMY-UHFFFAOYSA-N 496.441 5.070 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(F)(F)F)cc2)s1 920169016 CBKSTGFQMUXFCD-UGSOOPFHSA-N 497.564 5.317 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(C)=O)C=C1)=C(/S)Nc1ccc2c(c1)CCC2 920394210 IBTWFRPBDJJJLJ-UHFFFAOYSA-O 458.607 5.119 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)o1 920535923 CYDSMUSUNMMRIZ-UHFFFAOYSA-N 470.268 5.444 30 20 JKED CC(=O)Nc1cc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)cc1F 921157425 VZHCVKSBAZAPNX-IHWYPQMZSA-N 452.301 5.613 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)COCC(F)(F)F)C2=O)c1 921254185 OCKJXRNFOMBARO-PXNSSMCTSA-N 493.551 5.231 30 20 JKED CCN(C(=O)CCc1c(C)nc(O)c(C#N)c1C)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 1360037848 WMRMTQPZGRRSGQ-MHZLTWQESA-N 456.590 5.365 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)F)c4)CCC3)cc2)cc1 1785795943 KLULVPXCFYXTFE-UHFFFAOYSA-N 474.511 5.271 30 20 JKED COc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1785977935 YUOIBVNWSNFTAA-UHFFFAOYSA-N 489.959 5.047 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3nc4ccc(C)cc4s3)CCC2)cc1 1786364676 VVRGMXBOAIRZIS-UHFFFAOYSA-N 463.603 5.335 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(C)oc3C(F)(F)F)cc2)CCC1 1787399521 TXKYDWASUDCFME-UHFFFAOYSA-N 456.411 5.566 30 20 JKED Cc1cc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)c2[nH]1 1789019674 LXYWUMUOAHZXAE-UHFFFAOYSA-N 462.553 5.604 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1789494481 SPOQSMUXOSIVKO-QFIPXVFZSA-N 475.614 5.131 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc(C(F)(F)F)c1 1789576808 GUMTUYRDXPBENK-IBBHUPRXSA-N 494.473 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(O)nn4)cc3)CCC2)cc1 1789625446 DWHSBWFADPUVTG-UHFFFAOYSA-N 484.600 5.589 30 20 JKED CCc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1789816041 NOTWHZYJELHDGV-UHFFFAOYSA-N 462.937 5.132 30 20 JKED COc1cccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)c1 1790144389 HDHYIFOQMRWBFP-UHFFFAOYSA-N 491.551 5.018 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)ccc1O 1790311372 YXWFZXOEEJOWMB-UHFFFAOYSA-N 499.567 5.121 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1N(C)C 1790455887 QJJSWMLEWDIDKY-HXUWFJFHSA-N 496.611 5.450 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccnc5ccccc45)CCC3)cc2)ccc1F 1790520479 XSXPRKHVDWDCTH-UHFFFAOYSA-N 478.527 5.236 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccnc5ccc(Br)cc45)cc3)CCC2)C1 1790837215 VDTMSQFNIPFASG-UHFFFAOYSA-N 490.401 5.711 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)CCC2)cc1 1791243534 SHHPNKXGZWZPEO-ZRCGQRJVSA-N 483.653 5.226 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4cc(OC)ccc4n3)CCC2)cc1)C(F)(F)F 1791302734 HXLXXZDSIDIKJG-UHFFFAOYSA-N 469.463 5.110 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c(-c4cccc(OC)c4)c3)CCC2)cc1)C(F)(F)F 1791303399 VTTLLALENWEQHF-UHFFFAOYSA-N 483.490 5.557 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnccc3OCc3ccc(OC)cc3)CCC2)cc1 1791586208 SSNCHXLHWIVCGW-UHFFFAOYSA-N 497.595 5.220 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C(C)(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792203935 BAFQYPASSGSDJN-FQEVSTJZSA-N 457.615 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3C(F)(F)F)[nH]n1)C2 1792570982 JPQLHIWQNHGAQQ-BCDXTJNWSA-N 488.554 5.340 30 20 JKED O=C(/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2)c1cccs1 1796895700 HOIDZJPZRAZKSL-PHUPPOLUSA-N 499.592 5.180 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 1797939828 CVKLLQPXFXEGRW-QZTNMNAWSA-N 499.696 5.011 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C2 1798332207 JRBGKIANBHCOLM-MHORFTMASA-N 485.839 5.432 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1802732845 YFVSKOZXQSNBIH-QPPBQGQZSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2C)[C@@H]1c1cccnc1 1803082055 NFUXCAPFVKDSJY-VAVYLYDRSA-N 494.639 5.540 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1803600839 DXMMKMIGDPIYHQ-DQLDELGASA-N 488.078 5.224 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccnc(C(F)(F)F)c3)C2)CC1)c1ccccc1 1807908333 CCCZWGHOVXOOHP-QHCPKHFHSA-N 497.561 5.142 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1808487604 BRXHNOBLDAXEEN-XXBNENTESA-N 499.945 5.526 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1808490610 VVLVJACNZFLQKP-CPJSRVTESA-N 496.032 5.234 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H]2CC=C(C)CC2)[C@@H]1c1cccnc1)c1ccccc1 1809483597 HBSWLZGDXOYDCV-OIIADRAWSA-N 469.629 5.031 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1810173952 JLBKJYJNDWOPIR-YZUZCNPQSA-N 451.998 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1810491182 ALELLAXHTISDPS-CFBBYLOMSA-N 479.587 5.449 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1811221239 SCDWLDLORORQDW-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@H]1c1cccnc1 1811369393 VOSPTKDCQKQPJE-WDUKFBBWSA-N 497.920 5.425 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c1Cl 1811421451 ZUVXJLWBUINLRZ-SBUREZEXSA-N 497.357 5.033 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1811689601 LMMLSWLAAVRNHZ-BKMJKUGQSA-N 498.652 5.243 30 20 JKED C[C@H](CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1)c1ccccc1 1811749411 WKPCXTNABFAFGG-AUZMWRNASA-N 487.003 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811873792 RSLQIZCVXZBZNZ-TUACAJSNSA-N 496.533 5.060 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1812521691 BQXQBAFYKAAQJI-ZJSXRUAMSA-N 493.051 5.193 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)[C@@H]1c1cccnc1 1812589576 ABYFKJHDHUEQHX-VAXXYWNWSA-N 498.465 5.499 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1812696535 VSNNREFUVFHELP-GVUKDKGQSA-N 469.746 5.355 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)[C@H]1c1cccnc1 1813051123 WXJPPDSAZFJEHT-NLFFAJNJSA-N 496.449 5.091 30 20 JKED CC#C[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](C)CCCCC)[C@@H]1c1cccnc1)c1ccc(O)cc1 1813124103 UMJYPBWMDAJSAA-NQSJNDMASA-N 489.660 5.207 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1813229582 UTDBYIRLENWSTP-ATIYNZHBSA-N 459.615 5.118 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)[C@@H]1c1cccnc1 1814103530 PORNNFQQVHAIAE-FREGXXQWSA-N 488.591 5.030 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)[nH]n1 1814829477 QVIBOUFHRJCCCV-QHCPKHFHSA-N 489.576 5.148 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4c(c3)CCCC4=O)n[nH]2)c1 1818692421 GRMLPEPIJKCIHI-CJAUYULYSA-N 495.583 5.175 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3Cl)n[nH]2)c1 1818745235 JXYYRZHGMBOQCI-QHCPKHFHSA-N 486.963 5.344 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4cccc(Cl)c4)CC3)n[nH]2)cc1 1818794103 YIWVHGDGRHVUQX-QHCPKHFHSA-N 487.991 5.167 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)[nH]n1 1819308010 SJKDPVDZPZPBRH-MAUKXSAKSA-N 495.933 5.551 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2coc(C(C)C)n2)[nH]n1)c1ccccc1 1819515854 CBHNFQRFDPCINF-OFNKIYASSA-N 473.577 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occc3c2O)[nH]n1 1819555918 JQQFZFGGKANPMW-LJQANCHMSA-N 450.539 5.160 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc(-c4ccccc4)s3)n[nH]2)cc1 1819931330 FPQOCTNFLYPKKK-QFIPXVFZSA-N 496.596 5.219 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 1820506167 DSSJOWYXWBJUHK-OAQYLSRUSA-N 482.371 5.402 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1)c1ccc(Cl)cc1 1820547371 QIORTIHALPFSPS-KSFYIVLOSA-N 461.953 5.044 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3csc4c3CCCC4)[nH]n2)cc1 1821180226 NJMSYEPEFIAJAO-JOCHJYFZSA-N 473.602 5.036 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821204207 WODLUFIFOIYYDA-PXAZEXFGSA-N 453.345 5.374 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3cc[nH]n3)cc2)n[nH]1 1821228146 OEAAXOBGAWLJJC-QFIPXVFZSA-N 460.582 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821519765 LIEJGAZFPOYNHE-QFIPXVFZSA-N 493.709 5.376 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)[nH]n1 1821921802 UXCCYXZMDJWUHT-KOSHJBKYSA-N 459.594 5.147 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)CCCCC)n[nH]1 1822002618 TUNOWBKFFRTWKW-DYXWJJEUSA-N 489.661 5.088 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(F)cc3)n[nH]2)c1 1822222560 IYJYCERWUQOOMT-UUOWRZLLSA-N 473.552 5.115 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823211448 MKSHDOZKMVRKIL-NBGIEHNGSA-N 469.589 5.284 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1 1823684493 ZSAIKRBVLHMRDY-AREMUKBSSA-N 496.026 5.146 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4occc4n3-c3ccccc3)CC2)C1 1823702824 YEWJSUUEDPAFRB-XMMPIXPASA-N 471.601 5.423 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)c3ccccc3o2)CC1 1823995568 AADLJQYMKJLZJG-JOCHJYFZSA-N 464.606 5.019 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)CC2)c1 1824778679 IOZZIWGSZFEPGU-PZGXJGMVSA-N 494.639 5.338 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824786935 SEMJIVNNCHKHPI-ZEQRLZLVSA-N 489.701 5.070 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2OCC2CC2)CC1 1825581547 LLWBNURNZBNCDK-DEOSSOPVSA-N 467.654 5.096 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2)CC1 1826520400 LYTLIAXMQVHBKW-VWLOTQADSA-N 484.782 5.450 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c1 1828399677 BBYPZSYADJCGBY-ZEVJAHDQSA-N 494.010 5.388 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c(Cl)c1 1828418543 HSHQKTYQUUFCLA-URXFXBBRSA-N 495.973 5.363 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CS[C@@H]2CCCCO2)CC1)c1ccccc1 1829031572 BEBZRFYTBIZBJG-ZRRKCSAHSA-N 496.717 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(OC)ccc3o2)CC1 1829066493 GMDGHWVHDKLQBD-QHCPKHFHSA-N 466.622 5.667 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3C)CC2)c1 1829675725 HMQWIASUOBXDGZ-RUZDIDTESA-N 480.008 5.076 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)c1 1829777001 IZAJZEIAPZJGQC-XMMPIXPASA-N 495.583 5.175 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1831225450 NVPQWGRGPFZTSI-RSXGOPAZSA-N 490.047 5.104 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1831446600 CKRZYLQMQIEMEW-GOSISDBHSA-N 477.354 5.577 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832634127 OELLBLSZWXRDKT-JIPXPUAJSA-N 489.685 5.512 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832717597 PNDPSUYTNXNQMZ-IBGZPJMESA-N 469.935 5.142 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832995898 BQQKFCRNTZDNMJ-NEKDWFFYSA-N 476.661 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1835816544 OIMVBSIUNALING-UHFFFAOYSA-N 461.735 5.547 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3cc4ccccc4o3)CC2)CC1 1838227642 WDZADPJTTYKEEJ-UHFFFAOYSA-N 494.708 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)CC1 1838313090 DKNQKSBOIHOSHS-HSZRJFAPSA-N 470.679 5.008 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[C@@]12CN(Cc1ccccc1)C[C@H]2C 1847265801 OHBWOFRRUFEOQC-DWOZXFSFSA-N 491.720 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCCc2ccc(C(F)(F)F)cc2)c1 1847775487 ZVPNMRRZAUJPBH-DKLXNKCPSA-N 483.534 5.171 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(CC)CC)cc2)cc1 10173837 MRCMMFVBWZLGII-UHFFFAOYSA-O 483.604 6.606 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1cccc(O)c1 10174237 NUYULDRFOCOGEF-UHFFFAOYSA-O 456.385 5.056 30 20 JKED C=CCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nc2sc(-c3ccccc3)c(C)c2c1=O 10374513 MARKFKQFIGEDSN-FQEVSTJZSA-N 465.575 5.077 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836358 ZWOMSUBGHZXLNJ-UHFFFAOYSA-O 489.448 6.042 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc3c(c2)CCCC3)c1C 11083099 USGMUTJWWJDARY-UHFFFAOYSA-O 494.612 5.083 30 20 JKED COc1ccc(Cl)cc1NC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1cccc(C#N)c1 11102829 XUFIXPRSVZBIEA-XMMPIXPASA-N 489.000 5.569 30 20 JKED Cc1ccccc1-c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c2cnn(C(C)C)c2n1 14362086 XTNXMQXWQYGZLO-UHFFFAOYSA-N 487.947 5.308 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC)ccc1Cl 15657490 XBLUKDGVEVSNBU-UHFFFAOYSA-N 470.978 5.372 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1Cl 16408883 LMOAFWGAXOAPGK-DHZHZOJOSA-N 480.904 5.479 30 20 JKED O=C(Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)/C(=C/c1ccc(F)cc1)c1cccs1 16971638 SMCHAVXYSMCSQU-CJLVFECKSA-N 497.617 5.317 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)c1C 22729760 VIXLJYGKKWQELB-UHFFFAOYSA-O 490.649 5.252 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl 23518474 XBEXGWBTGTZKHX-MRXNPFEDSA-N 474.989 5.572 30 20 JKED Cc1cc(-c2cc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1 29028273 RNMVGAAHUGOELB-UHFFFAOYSA-N 498.656 5.187 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)s2)cc1 195641531 VOAUGDONUMPVPZ-UHFFFAOYSA-N 471.007 5.042 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1-c1ccncc1 255929943 QQXKVEDOPQEIBI-JOCHJYFZSA-N 492.004 5.660 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 303299916 OGQKOVCUPFPURJ-SFHVURJKSA-N 462.644 5.734 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3ccccc3SCc3cccs3)nc2C)n[nH]c1=S 303320946 HRWVOHWFIQLRCC-UHFFFAOYSA-N 485.685 6.165 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1Cl 303392704 PAMJDNNXKVWOLJ-ZJSXRUAMSA-N 457.961 5.486 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 303423601 ZAFUOTFLLDRABO-UHFFFAOYSA-N 458.345 5.927 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc2c(cc1Cl)OCCO2 480157897 VTSHGCVVIQJNQU-UHFFFAOYSA-N 455.711 5.233 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc(Cl)cc1 501549108 IABOBIRMBARNJB-LBPRGKRZSA-N 451.354 5.696 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1F 501599363 DHXQHGMVYQXKGE-CYBMUJFWSA-N 464.925 5.094 30 20 JKED C=CCN(C(=O)CCCNC(=O)c1ccsc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502945347 NXAWEPGQFYPCKA-UHFFFAOYSA-N 480.442 5.908 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 508289633 PRTXMHNAUFGJJA-UHFFFAOYSA-N 499.354 5.768 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 508869544 YGDFREOBTNEUKN-UHFFFAOYSA-N 464.925 5.041 30 20 JKED CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)[C@H](C)c1ccc(C#N)cc1 509560186 NOOPGKHOOUHENB-GOSISDBHSA-N 482.005 5.260 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 511355218 MANXADNTOSTUFV-UHFFFAOYSA-N 472.564 5.257 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C 511560170 DQPSHJPQIMZQPS-DEOSSOPVSA-N 463.484 5.330 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 513237645 CQNUQWGJIWOTEB-INIZCTEOSA-N 481.549 6.476 30 20 JKED C=CCn1c(SC[C@H](O)COc2ccc(Cl)cc2Br)nnc1-c1ccccc1 513503419 QHNQYEQFBXUPQJ-MRXNPFEDSA-N 480.815 5.079 30 20 JKED C=CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 514616375 ZGVNWHWHBKDVKR-UHFFFAOYSA-N 486.593 6.336 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1 518100076 UILSDOYCEOCPPB-ISKFKSNPSA-N 476.374 5.772 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 518255966 LFNPMCLGBBZGJA-MRXNPFEDSA-N 476.524 5.090 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1OC 518871003 PRTVVXCTIXEBCX-CYBMUJFWSA-N 483.521 5.719 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCCc4nc(-c5ccc(F)cc5)sc43)CC2)c1 519205371 WZRAUUYESHDVLN-HSZRJFAPSA-N 476.577 5.451 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 519429335 RNJGHDVXSRPZDJ-GOSISDBHSA-N 483.590 5.054 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)nc(O)c2c1C 519485172 ILLSQVJNYJWUDJ-YJBOKZPZSA-N 468.648 5.314 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)cc2)cc1 520600608 GXVXXONYLINJLN-UHFFFAOYSA-N 466.541 5.439 30 20 JKED N#C[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1cccc(Cl)c1Cl 520889451 GQXZMMBXEKSPEP-QGZVFWFLSA-N 469.353 5.817 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c(C)c1 520932950 PFNIEEMQHYQMHZ-UHFFFAOYSA-N 481.552 5.027 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 521459826 PZLFRXIWJTTXHK-UHFFFAOYSA-N 490.903 5.041 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 521811356 DPWHKTHJNLFOQO-AWEZNQCLSA-N 450.395 5.137 30 20 JKED Cc1cccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)n(Cc3ccccc3)n2)c1 522713341 IUCPHCRPWAMVPS-UHFFFAOYSA-N 498.608 5.237 30 20 JKED COc1c(Br)cc(Cl)cc1NC(=O)c1occc1COc1cccc(C#N)c1 524430048 NDUHJWMLUJRQLC-UHFFFAOYSA-N 461.699 5.407 30 20 JKED N#C[C@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1nc2ccccc2n1C(F)F 567534083 GNPNGWNJXWOEAU-OAHLLOKOSA-N 479.533 7.021 30 20 JKED N#Cc1ccc(OCc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H]3CN(Cc5ccccc5)C[C@H]43)c2)cc1 594654817 DKETWZJZIJABAQ-KLFPRNLRSA-N 477.608 5.120 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 603660358 ABGFKJLVOITTFF-UHFFFAOYSA-N 493.873 5.647 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 603702688 LROCAUHEUPGFER-DEOSSOPVSA-N 482.927 5.243 30 20 JKED Cc1nc(SCC(=O)N(Cc2ccccn2)c2ccc(Br)cc2)c(C#N)c(C)c1C 603994282 OUEWNPSGAOSJML-UHFFFAOYSA-N 481.419 5.362 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(C(=O)c4cccc(F)c4)CC3)cc2Cl)cc1 604090347 VSBWSTGXAOGVQK-UHFFFAOYSA-N 492.938 5.523 30 20 JKED CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccsc1 604139290 QKDKEUHZOVRCMZ-QFIPXVFZSA-N 497.020 5.203 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCOc3cccc(Cl)c3Cl)s2)cc1 604363021 SSLDIIKLRULPAV-UHFFFAOYSA-N 480.402 5.209 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 604394772 FLZJAGOYCHQSRN-UHFFFAOYSA-N 489.597 5.394 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609061150 KNMUGUHOZOULDR-UHFFFAOYSA-N 469.570 5.066 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 609068074 IYCDQHKHNVCAJM-UHFFFAOYSA-N 459.792 5.766 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 609078312 IUNRGFALYPAOCT-UHFFFAOYSA-N 489.019 5.839 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)c1 609434505 RSBZEQACSNPCSE-QLPKVWCKSA-N 471.401 6.382 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 613319519 GCNJBKIKXSTVIA-IBGZPJMESA-N 463.946 6.137 30 20 JKED CCCCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2C1=O 613403977 LUDFXZTZARPTPR-MRXNPFEDSA-N 471.460 5.201 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nc2sccc2c1=O 614507326 FJVKQJRSMGWDRW-UHFFFAOYSA-N 489.047 5.731 30 20 JKED C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618450652 MCCOTWFIIYNIDA-LPEHRKFASA-N 470.763 5.749 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(C(F)(F)F)c1 642282492 WRIYAQQGYMWNCF-HNNXBMFYSA-N 459.378 5.434 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1Cl 726409238 QATQXHYQUUYYAX-FQEVSTJZSA-N 482.924 5.104 30 20 JKED CS(=O)(=O)Cc1c(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)oc2ccccc12 726658873 BGHORQSQMQFUIT-UHFFFAOYSA-N 473.550 5.034 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 726696586 SHKTVTDINJJJAV-WIOPSUGQSA-N 497.986 6.457 30 20 JKED N#CCC[C@H](C#N)CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 726797480 JXNNKIIVXKNYNH-JQFNYASXSA-N 489.815 6.567 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)cc1 727305654 RSHGWOAXEXJUCI-WJOKGBTCSA-N 488.587 6.695 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCc3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1 728110897 XOERGOKTXOGYAI-UHFFFAOYSA-N 469.375 5.156 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)c3cscn3)c2C#N)C(C)(C)C1 728338523 QIECDCMJXUUGCY-SNAWJCMRSA-N 495.651 6.020 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(Cl)ccc(C)c2Cl)N(C2CC2)C1=O 728430141 OBXNPXSTEYIBHT-QGZVFWFLSA-N 478.401 5.433 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CCCCC#N 728775884 DXTWROXSKGZDRM-FQEVSTJZSA-N 472.973 5.442 30 20 JKED COc1cccc(C(=O)/C(=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c2ncc[nH]2)c1 729240659 VEROUWNDNVYNML-JCMHNJIXSA-N 457.917 5.748 30 20 JKED CS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)ccc1Cl 729245283 RFZHFDHQIZJUQG-UHFFFAOYSA-N 459.354 5.116 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CC2)C1=O)Nc1ccc(SC(F)F)cc1 730491313 UMYFGNOCEUNWEQ-KRWDZBQOSA-N 465.522 5.263 30 20 JKED CCSc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2cnnc(O)c2Cl)cc1 730568233 RBQWNSJHNKCWGD-UHFFFAOYSA-N 450.955 5.246 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 730646419 UMNTXAUCXVRAQX-LJQANCHMSA-N 461.326 5.229 30 20 JKED CC1CCN(C(=S)SCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1 730994266 IFQNFRZXZMWBTI-UHFFFAOYSA-N 461.600 5.400 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 731059691 JOYMGGVFYBNHAZ-ONQFPYBPSA-N 491.451 5.296 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 731198535 LJXHCBLERMWHAC-XPFMCRKWSA-N 483.684 5.408 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(C)ccc1F 743524095 GJUMLEUXYDFYIT-HXUWFJFHSA-N 477.989 5.093 30 20 JKED O=c1c2cnn(-c3ccccc3)c2ncn1N=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 745990477 GPOLKWYXHIPGEI-UHFFFAOYSA-N 475.430 5.276 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3ncc(-c4ccc(OC)cc4)o3)n2)cc1 746417471 XEBHFBSAEKSRPG-HXUWFJFHSA-N 459.527 5.291 30 20 JKED C=CCc1cc([C@@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2ccc(C)cc2C)cc(OC)c1O 747144290 QMVYGGKTTPBLSJ-VWLOTQADSA-N 475.589 5.135 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747598452 BJLSLJCWVZJNBH-GOSISDBHSA-N 474.970 5.096 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O 747600782 QYOAIARXDKSWFX-IBGZPJMESA-N 488.997 5.405 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2C)n1 748036373 MBRXVGVMYHCMOR-JOCHJYFZSA-N 492.576 5.007 30 20 JKED O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1ccc(N2CCOC2=O)cc1 748583072 AMUJBUJCBLGUFM-RMKNXTFCSA-N 455.333 5.425 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cc(Cl)cc(Cl)c1 799224842 ZSMRDZBOHCORNO-SFHVURJKSA-N 496.803 5.249 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 837959393 NCOHYHQXZJXIMW-YCRPNKLZSA-N 499.423 6.110 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1F 838231836 ZMTJTXOHXNYUQJ-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)c(F)c1 883977361 DXSVXYCQAYEONY-VXGBXAGGSA-N 468.438 6.205 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3ccsc3C(F)(F)F)no2)nnc1-c1ccco1 904922724 IPUBZZSKOTXFLK-UHFFFAOYSA-N 453.471 5.537 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1OC 914556446 FPDXRTSXHITCAZ-XMMPIXPASA-N 489.597 5.002 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914694951 ZIEFHXJUARSVPF-IIBYNOLFSA-N 451.523 5.010 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)CC(=O)Nc2ccccc2Cl)c1=S 915814012 ZERLHLXHOWWTRX-UHFFFAOYSA-N 492.432 5.014 30 20 JKED Cc1cc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)cc(C)c1OCc1ccccn1 915949141 BVFWWFUISJDKDF-UHFFFAOYSA-N 481.528 5.308 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1OC 916135941 ZTLZRSNDFCGEIP-UYRXBGFRSA-N 477.944 5.587 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2cccc(C)c2)C=C1 916202887 GIURDYLVMNOVEJ-UHFFFAOYSA-O 453.971 5.520 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(Cl)c1 916215602 XZWPCDUOALTLEQ-GOSISDBHSA-N 464.374 5.148 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(OCC#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1 916411167 RUBGVWPEIHSPDD-AHKZPQOWSA-N 469.541 5.029 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 916910859 DAKWNNRARJJOCG-RUZDIDTESA-N 480.520 5.204 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916911237 WODHZQHEMFCOQK-HXUWFJFHSA-N 469.522 5.572 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1C 916944529 GYUQFQVENYEUIM-SFHVURJKSA-N 488.400 5.020 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 917026565 HVFOTDPHTSHKIG-MOPGFXCFSA-N 468.376 5.016 30 20 JKED CSc1cccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c1 917042836 HQXYFWLGXLKOTG-MLGOLLRUSA-N 475.517 5.266 30 20 JKED CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)[C@@H](C#N)c1nc3cc(Cl)ccc3s1)C2=O 917047181 STZMUVKKODGWPP-VICXLYDQSA-N 487.025 5.043 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 917664556 ZFJCMHJHOLTODT-UZUQRXQVSA-N 491.592 5.008 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)cc1 917703330 LISSVZDCFRMARH-RUZDIDTESA-N 498.608 5.506 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 920108510 FJCGYVIULSJRQM-LAUBAEHRSA-N 485.544 5.249 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 920175757 LROQNRPSFWGILN-KOSHJBKYSA-N 470.598 5.292 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cc(O)ccc2C)N=C1C 920483867 PPUFWBOJRUCGAC-UHFFFAOYSA-O 491.420 5.613 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 920870596 NOOHVFRNOPNMSU-HTAPYJJXSA-N 471.598 5.192 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(c3nc(C)no3)CC2)c1=S 921051934 HLIPWVSFLRQGON-UHFFFAOYSA-N 452.628 5.093 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(OC(C)C)c(Cl)c1)C2 1779270583 GHMJMGAMGNGYIB-YEEURNOCSA-N 489.056 5.023 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1785939515 WCWLSZJCMIVKPJ-HSZRJFAPSA-N 481.637 5.288 30 20 JKED CC(C)c1nc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)co1 1786036259 XBASRUZYPQPGRR-UHFFFAOYSA-N 456.546 5.050 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1786371491 MOCWMGPGYUQXJW-FQEVSTJZSA-N 455.558 5.087 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5c(Cl)cncc5s4)cc3)CCC2)CC1 1788312744 RHQRVOJSOQPEHV-UHFFFAOYSA-N 450.951 5.001 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789993750 WJTXLVMOWQNADB-UHFFFAOYSA-N 490.510 5.782 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](N)c4cccc(Cl)c4)CCC3)cc2)c1Cl 1790081796 OAWZIHQEJZRDRY-HSZRJFAPSA-N 493.394 5.313 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)C)CCC2)cc1 1790472492 FMUOTPBJFKPLNL-JOCHJYFZSA-N 483.653 5.254 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5ccoc45)CCC3)cc2)c(C#N)c1 1790474439 DITDQQLVIPVQGX-UHFFFAOYSA-N 479.536 5.303 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(Br)c3OC)cc2)CCC1 1790633708 REQUHUPUNCPNEY-UHFFFAOYSA-N 469.379 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)c(NC(C)=O)c3)cc2)CCC1 1790746556 ZRVAZYXKSAWGFE-XMMPIXPASA-N 459.590 5.470 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)c(Cl)c1 1790764355 WCASZFSEECMHFJ-UHFFFAOYSA-N 498.892 5.687 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3c(Cl)ccc(OC)c3F)cc2)CCC1 1791665268 XCSPIDPBWOIHDZ-UHFFFAOYSA-N 488.987 5.147 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791709594 OMVCVQOOVCGCAQ-OAQYLSRUSA-N 495.664 5.536 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(-c5nccs5)noc4c3)CCC2)cc1 1791729025 MPRPEOVUPARDPZ-UHFFFAOYSA-N 498.608 5.893 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccccc3Br)CCC2)cc1 1792266949 GOJWDIGHQFMQKY-XNTDXEJSSA-N 451.364 5.010 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792285479 DULSMVNKJVPOCI-UHFFFAOYSA-N 481.637 5.146 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1)C2 1792576086 YNBQIWOQZQFNLY-BUUPBASBSA-N 489.701 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(OC)cc1 1796511999 HZWMAZQKRKZFHU-KOUNCHBCSA-N 461.606 5.001 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1797905067 FNMDCKUTCKKKON-GPJHCHHRSA-N 489.701 5.044 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncccc1-c1ccccc1)C2)c1ccccc1 1798553490 MTJBKEYASFKPIL-IYOUEGCASA-N 477.608 5.198 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccccc3)n3ccccc23)cc1 1799098744 RNRSVXLTRHLCJU-OOSCYNTBSA-N 488.591 5.238 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cc(Cl)ccc2Cl)c(Cl)c1 1801471927 SLBVWVAGPHGUEL-REPLKXPHSA-N 490.818 5.403 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1802495323 BKPMOUQUVMQXAV-HPZUDSRNSA-N 477.674 5.694 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1 1802495469 FOWAJISPTKCVIV-KCWPFWIISA-N 472.633 5.194 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3scnc3c2)[C@H]1c1cccnc1 1802499887 UGCZAVGLJKRLOG-REWPJTCUSA-N 462.619 5.003 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)cc2F)c1 1803849531 JFLYSVIJWMBEMN-GAZPGATBSA-N 473.470 5.037 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)c3cc(Cl)ccc3F)C2)CC1)c1ccc(O)cc1 1805140322 YYIRSFLGWYIGAS-OAQYLSRUSA-N 497.010 5.227 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3c(C(C)C)nn4ccccc34)CC2)C1 1805455197 PVERBKBLSSKFDT-UHFFFAOYSA-N 462.638 5.071 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4ccc(Cl)cc4)no3)CC2)C1 1805455311 YWIGJWDJVXSIOJ-UHFFFAOYSA-N 482.024 5.608 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1808890237 STNZCURDOROJLM-NVQXNPDNSA-N 493.051 5.533 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)C2)CC1)C(F)(F)F 1810441003 ZWPOBDJPJZGQFP-UHFFFAOYSA-N 496.533 5.193 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)cc2F)[C@@H]1c1cccnc1 1810502666 KWRQJWOSUSRKQY-SQJMNOBHSA-N 481.612 5.320 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cccc5c4OC(C)(C)C5)C3)CC2)c1 1810728016 KNKLAZURTSEICS-NRFANRHFSA-N 485.628 5.186 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1811205526 APCWPXTYVMZQLO-OFNKIYASSA-N 454.014 5.355 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811749552 YTGNIUNWPHJSAZ-CYFREDJKSA-N 493.394 5.202 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[nH]n1 1814567580 KIWPONJJZOIEAA-HXUWFJFHSA-N 492.967 5.106 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1814828796 SFSXKZVMQZTBQB-QHCPKHFHSA-N 477.996 5.686 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938609 AZWUNDGNJIYQRT-LXBDKUERSA-N 473.017 5.086 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1815246036 FJIGOUNUYNQLLJ-FUHWJXTLSA-N 499.862 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)n[nH]1 1816942836 PFACCOVOOFYKMT-CTNGQTDRSA-N 474.527 5.432 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)c1 1817003022 JESBNDZYKPSUNN-KOSHJBKYSA-N 490.007 5.629 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H]2CNc3ccccc3C2)n[nH]1 1817373817 YCXVMKLLASKXAE-CJFMBICVSA-N 475.637 5.235 30 20 JKED CC1(C)CCc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)c2O1 1817940946 ATGSDZQZVYIKGV-XMMPIXPASA-N 497.599 5.199 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1)C(F)(F)F 1817947911 UTHDKZUKRUGGED-INIZCTEOSA-N 479.890 5.277 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)ccc2c1 1818530748 NIFVIYGMDHYVHV-BCHFMIIMSA-N 492.583 5.513 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2ccccc2F)[nH]n1 1819303158 QUFNAJIKGLZKEG-NFBKMPQASA-N 452.574 5.332 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)n[nH]1 1820109009 IYYVGDHRPWSIOF-KOSHJBKYSA-N 482.588 5.471 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820220947 JZMJUVDWGXHZLR-HXUWFJFHSA-N 465.916 5.002 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(C)C)no2)n[nH]1)c1ccccc1 1820332411 ZJJLHHKUKRXPDW-NZQKXSOJSA-N 473.577 5.024 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(F)c(C#N)c3)n[nH]2)oc2ccccc12 1820915065 JMJPTFJFPSZYCG-QFIPXVFZSA-N 485.519 5.024 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1820971895 AVOQEXMEPAWSTC-UUOWRZLLSA-N 491.567 5.323 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)n[nH]1 1821007355 RKKKCKOVFSWQTI-DHLKQENFSA-N 464.516 5.490 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(C(F)(F)F)c(F)c1 1821084883 CHIZMXSNCTUPDZ-MRXNPFEDSA-N 494.411 5.606 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)[nH]n2)cc1 1821180493 WCAUYTCVCLZIQH-SJHORNLWSA-N 473.621 5.388 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1821988027 ZWHLYBCYJQMYAX-KRWDZBQOSA-N 458.534 5.450 30 20 JKED CC(C)(C)CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1822116078 NEJNXQGCELXDPA-WATSXHCISA-N 455.603 5.111 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)CCCCC)[nH]n1 1822307186 VJJFGSSMBRCQMW-SBHAEUEKSA-N 489.661 5.088 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]n1 1822399874 RPYJLBGPRLUHMG-RUZDIDTESA-N 465.557 5.507 30 20 JKED Cc1c(Cl)ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)c1Cl 1823142088 XHXIFFQNYTZQHB-MTYDYXEWSA-N 488.375 5.043 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc4C3)[nH]n2)c1 1823217687 WONZPIYLLFUWII-OXTYCOSGSA-N 481.600 5.148 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)[nH]n1 1823420103 KBPCIAUGRMYODG-NRFANRHFSA-N 479.378 5.045 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C)c4ccccc34)n[nH]2)C1 1823602835 MBJUDBCUYCFILY-VWLOTQADSA-N 456.590 5.462 30 20 JKED O=C(c1ccc2cc[nH]c2c1)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055333 HXYXOAOFFLGCFD-AREMUKBSSA-N 474.004 5.106 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1824501579 VSEYKKBDJSOTRI-JOCHJYFZSA-N 475.699 5.092 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)cc1 1825853248 VFWDHALHTHGDDZ-OAQYLSRUSA-N 470.038 5.139 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3C(C)(C)C)CC2)c1 1827298248 OMUGUIFGQUKKIS-VWLOTQADSA-N 472.633 5.106 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4[nH]ccc4s3)CC2)c(Cl)c1 1828335286 PVPGQNRFCMODQN-NRFANRHFSA-N 481.021 5.302 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1828354817 LSCFGHZLRXHSAG-GIPLCNRYSA-N 467.569 5.251 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 1828820836 GDYHQBNRRIDQJV-RPBOFIJWSA-N 482.665 5.025 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1828827223 JYKHWGHIADHWNK-DNQXCXABSA-N 487.566 5.579 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829007962 CYQKHQBHROUXAQ-RFJJORBGSA-N 482.741 5.662 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2scnc2CC)CC1)c1ccccc1 1829032985 TXZQTZOVZPOSRO-UKILVPOCSA-N 477.674 5.136 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1829231437 SXYOJQZMDXIIOS-HSZRJFAPSA-N 499.442 5.126 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829657146 LEBNRRSNXVTEGY-JOCHJYFZSA-N 498.998 5.158 30 20 JKED CCC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)n1cccc1 1829688825 JVKHTMNWNLFLRZ-DNQXCXABSA-N 481.040 5.288 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@](C)(OC)c3cccc4ccccc34)CC2)C1 1830158924 DDNKETGQOBYYCI-BHBYDHKZSA-N 474.645 5.287 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830409937 ZREZPFIXBZQMAJ-SZWZIBTBSA-N 489.660 5.578 30 20 JKED COc1cc(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830463779 ZBMOHHDVKNMOJR-ZBLYBZFDSA-N 473.617 5.178 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1830633804 YILGCDSKEQOSIS-MHZLTWQESA-N 496.611 5.079 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830663589 PYMVZBOVXXVUSE-HTAPYJJXSA-N 465.009 5.323 30 20 JKED Cc1nc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)c2s1 1830718994 QFFKXGFCXRDNDM-DEOSSOPVSA-N 490.604 5.163 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCN(c4ccccc4)CC3)CC2)c1 1830766509 HQNJTECZZGFSDO-LJAQVGFWSA-N 498.671 5.017 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC#N)CC1)c1ccccc1 1831208048 JSPARHPXGICXNN-YTMVLYRLSA-N 494.724 5.265 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccccc2Br)CC1 1831717017 QMTTUTUDLZIGQN-UGKGYDQZSA-N 491.470 5.050 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1831736888 XBWJCBPUKKQAAY-OAYWMPHMSA-N 468.613 5.236 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)CC1 1831856976 QFQJPYFIZJNRAK-HSZRJFAPSA-N 466.622 5.449 30 20 JKED COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1C 1832538745 HRIYQWVIPRPDAY-XMMPIXPASA-N 480.008 5.076 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1835679397 HXGOQBSONVMJPD-MLKSZZLFSA-N 479.709 5.156 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)CC1 1835815967 LDGWSGYMZGHFAE-UHFFFAOYSA-N 497.083 5.066 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)CC1 1838257242 KTJNQQUMDIPMRF-UHFFFAOYSA-N 497.007 5.378 30 20 JKED COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 9073562 SWUPBFABYZHVFA-UHFFFAOYSA-N 466.946 5.308 30 20 JKED C[C@](C#N)(NC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)C1CC1 9750495 FNEHTGWHEWEODC-XMMPIXPASA-N 492.651 5.076 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10172408 VIINKDIUGLMGAD-UHFFFAOYSA-O 481.641 6.997 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc3c(c2)CCCC3)c1C 11163034 OQZNGHOZOLRWMI-UHFFFAOYSA-O 490.649 5.252 30 20 JKED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 11325485 TXFOGPCNWDMOEH-AWEZNQCLSA-N 490.368 5.072 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1)c1ccc(F)cc1F 15187945 FAQWZCMNRXTMAN-QPJJXVBHSA-N 463.849 5.564 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nnc1-c1ccc(OC)cc1 18771531 FEQROCXPGHKPKS-UHFFFAOYSA-N 477.615 5.302 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cccc(-c2csc(C)n2)c1 23222801 LDSYMGPSJRBHFT-UHFFFAOYSA-N 495.605 5.345 30 20 JKED CCOCCCn1c(=O)c2ccccc2n2c(SCc3ccc(-c4ccccc4C#N)cc3)nnc12 23440104 GFUNRVOUMAMLJX-UHFFFAOYSA-N 495.608 5.302 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)n1 24284608 SHUSJCVFEAKEHF-ONGXEEELSA-N 464.538 5.557 30 20 JKED CC(C)Cn1c(SCC(=O)N(C)Cc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1Cl 25101722 LQBKJPFOTDWRDL-UHFFFAOYSA-N 488.444 5.530 30 20 JKED N#CCC[C@@H](C#N)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1 26227197 JTCCKXJORLVFCA-AWEZNQCLSA-N 459.522 5.924 30 20 JKED Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)o2)cc1 26462334 YKFSDHXRUMBKNS-GOSISDBHSA-N 498.564 5.566 30 20 JKED CC(C)OCc1ccccc1CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 30370113 GQIKXWUTMDMNGP-UHFFFAOYSA-N 473.598 5.144 30 20 JKED COc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1NC(=O)c1ccc(Cl)cc1F 71981498 HHMIFIVPSPZMTP-UHFFFAOYSA-N 451.885 5.183 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 108372814 FELBSHOGSMEJDJ-JOCHJYFZSA-N 487.987 5.476 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nncn3CC(F)(F)F)c2C#N)C1 302973286 BRXPPZWDSHHGSY-LBPRGKRZSA-N 471.574 5.045 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 303205555 YVKXKWPNAPPOJL-UHFFFAOYSA-N 483.490 5.097 30 20 JKED CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 303208896 QGASESGDNPABBU-UHFFFAOYSA-N 462.981 5.386 30 20 JKED COc1cccc([C@H](CNC(=O)CSc2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 303216552 TXOMGGNQJIHNTR-QHCPKHFHSA-N 471.582 5.097 30 20 JKED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481621896 GKRQMGGPPLVWEZ-UHFFFAOYSA-N 482.506 5.150 30 20 JKED C=CCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1nc(-c2ccccc2)cs1 483359340 ZBEHNVROTLDPRA-UHFFFAOYSA-N 466.613 5.342 30 20 JKED CCN(CCc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 486492234 UFEZGIJOAZQUNJ-UHFFFAOYSA-N 453.951 5.095 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cn3cccn3)cc2)nnc1-c1ccc(Cl)cc1Cl 486614322 IKWRVIXXXUIBPI-UHFFFAOYSA-N 499.427 5.414 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 501528278 CNEKFMMDLRSJII-UHFFFAOYSA-N 453.999 5.274 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1SC 503531010 QHAKGYZACJEEGK-LLVKDONJSA-N 461.471 5.217 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 505207517 RAEZIFVSYOQTAY-UHFFFAOYSA-N 482.396 5.859 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)cc1 505675248 GLJFBELQGIHFJH-MRXNPFEDSA-N 461.543 5.437 30 20 JKED COC(=O)Cc1sc(NC(=O)c2ccccc2-c2ccccc2C#N)nc1-c1ccccc1 507554437 RMSLVRBCOCACEK-UHFFFAOYSA-N 453.523 5.317 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccccc1)c1nccs1 509990987 DWTHABCKKJHLRK-XMMPIXPASA-N 454.555 5.813 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1ccccc1Br 510905643 RGNOMEXRDKZCTA-UHFFFAOYSA-N 450.336 6.085 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1C(C)=O 512920744 ALGIVVPFABECLW-MRXNPFEDSA-N 470.982 5.018 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 515540103 COLPBNBWJCBJEG-QGZVFWFLSA-N 464.859 5.827 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-])c1ccccn1 516714116 QCPBFFKTTVFYAY-OXQOHEQNSA-N 494.536 5.648 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)O[C@H](C)C2 517388929 MARGTWBRQSJZPS-WPWBMXPQSA-N 484.600 5.089 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)n2)cc1 517952191 MVOWBIGZZMILLB-QHCPKHFHSA-N 451.551 5.885 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 518652988 PBLFJFRIOKQDES-UHFFFAOYSA-N 453.611 5.372 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 519500185 TUBUYVBMLCAZGS-IBGZPJMESA-N 493.011 5.669 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(C(=O)NCc4ccco4)c3)cc2)cc1 519989922 XMRJPOHJZPEMCP-UHFFFAOYSA-N 466.497 5.195 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 520829615 HHLYADBBKCYGCH-LJQANCHMSA-N 491.638 5.332 30 20 JKED C[C@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2 521691058 NUTVYTLAVWDZKA-DOTOQJQBSA-N 457.571 5.025 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 521797968 XAVMURAFIYDTBU-DLBZAZTESA-N 462.662 5.384 30 20 JKED Cc1cc(NC(=O)c2cc(/C=C\c3cccs3)nc3ccc(Br)cc23)n(CCC#N)n1 522133955 ATMGWXLORGEDMW-SREVYHEPSA-N 492.402 5.900 30 20 JKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 522950802 DHPXVOCKSJTQNO-QFIPXVFZSA-N 457.530 5.607 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H]3c3ccccc3C(F)(F)F)cc2Cl)cc1 523961715 ZGYDRMGYJFEFKM-RXVVDRJESA-N 499.876 5.634 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(OC)c1OC 524388158 LZEDSWGADHLJSA-UHFFFAOYSA-N 460.530 5.043 30 20 JKED C[C@@H](Sc1ncccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)N1CCCC1 587988751 NKRGGWZTWSTTFG-DNVCBOLYSA-N 497.045 5.452 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)sc1-c1ccc(F)cc1 588348694 WMIAYKQDXOOMOE-MRXNPFEDSA-N 463.559 5.942 30 20 JKED CCn1c(SCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1ccc(Cl)cc1 602738800 AYWGLYOTIDOSCE-UHFFFAOYSA-N 481.006 5.344 30 20 JKED N#Cc1cccc(COc2cccc(CN[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)c1 603682082 DDJQSEKAUUCYIR-PMOLBWCYSA-N 456.430 6.136 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 603738851 WZFDMZHEPPGQJE-UHFFFAOYSA-N 465.538 5.611 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nnn1-c1cccc([N+](=O)[O-])c1 603838624 BDLKPKWUIINUHH-MRXNPFEDSA-N 499.339 5.404 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3Cl)c2)c1 603994692 GKCRBGMNWYLONN-UHFFFAOYSA-N 454.711 5.479 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 604085003 RWNHMOYMOLZDKU-SBUREZEXSA-N 497.020 5.128 30 20 JKED Cc1ccc(CCCNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 604134077 QPKVQAPXMSMZHJ-DEOSSOPVSA-N 459.977 5.300 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1cccc(C(F)(F)F)c1 608864808 CBSKYTGNVKDHKA-LJQANCHMSA-N 482.462 5.360 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)o1 609063727 KCSOPMGMRSLQLV-UHFFFAOYSA-N 454.482 5.570 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609207964 QUNISLHIUWMHMZ-NRFANRHFSA-N 455.558 6.082 30 20 JKED COc1cc(CCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)ccc1OCC(F)(F)F 609414685 ITGLHKNNBMNGAW-HNNXBMFYSA-N 461.267 5.257 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 609439770 NQHJWKWKPDVEPP-SIBVEZHUSA-N 485.609 5.250 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 642471435 LDEHOLINPXDYEK-UHFFFAOYSA-N 455.605 5.183 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc(OC)c1OC 643189085 CALHDSKTHDEYPQ-UHFFFAOYSA-N 484.474 5.956 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3Cc4ccccc4-c4ccccc4C3)nc12 726185504 OWXCPFPWTOGYSI-UHFFFAOYSA-N 465.582 5.006 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2Br)n1C 726319661 MQYCLSOXSHGTNV-LJQANCHMSA-N 478.390 5.541 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726405051 BNILLOODFDVSCJ-HTAPYJJXSA-N 499.036 5.214 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC)c(F)c1 726412932 USAGFVHBYLUYRW-OAQYLSRUSA-N 457.571 5.212 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC)c(Cl)c1 726892683 WDDKWDBLARVDEN-SFHVURJKSA-N 466.390 5.291 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 728422158 CWGDPJNDKHPGHK-OPAMFIHVSA-N 489.988 5.328 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC1CCCC1 728687782 MJPQRFAABLAHDU-RUZDIDTESA-N 455.558 5.994 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)cc1 730444311 LZWCWLQSIIRXTO-HSZRJFAPSA-N 476.602 5.057 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCC3)C2=O)cc1 730458530 AHWKEKVCLWJXHO-IBGZPJMESA-N 459.518 5.109 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1 730460957 JECOUJCIIXXYPU-LJQANCHMSA-N 477.508 5.227 30 20 JKED CCCCN(C)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 730555805 DFRRGPDWAZAZIW-UHFFFAOYSA-N 472.614 5.778 30 20 JKED O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1sccc1SC(F)F 730590173 ZYJNRPREEMPVLG-AWEZNQCLSA-N 465.387 5.262 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)cc1 730719545 GTMJHLRNGBOIEH-XMMPIXPASA-N 484.581 5.551 30 20 JKED Cc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c3c2CCC3)c(C)c1 731078246 NSLJMIGHVKGVDA-SFHVURJKSA-N 488.613 5.025 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(Cc2ccc(F)cc2)n1 731080491 NQBQXSSAXRWZDR-HNNXBMFYSA-N 469.563 5.063 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2c[nH]c3ccccc23)c1 731308645 OVHNOZWBNMBIDK-VWLOTQADSA-N 498.608 5.385 30 20 JKED Cc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N/[C@@H](C)c1cccs1 731311721 GYHDEYPEWPMBKD-JCPNLMEESA-N 479.627 5.352 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc3ccccc3[nH]2)C1=O 746696199 KPLRSRFLXPJGDR-DEOSSOPVSA-N 484.581 5.337 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCOC1CCCC1 747044774 ZFOPBBIDLWUWEQ-HSZRJFAPSA-N 494.592 5.007 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(CCc2nccs2)C1=O)Nc1ccccc1F 747598274 ALGGQBZPYDDMKN-SFHVURJKSA-N 488.997 5.139 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc(-c2ccccc2Cl)s1 748003805 LBHGFFKDWOVJGF-LBPRGKRZSA-N 450.734 5.731 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1 748778817 WNOKCSPWJDOLHM-UHFFFAOYSA-N 480.058 6.309 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 750697464 MJUHYEKOJURISY-SFHVURJKSA-N 450.539 5.119 30 20 JKED Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c1C 836303332 FRPMJPPTSOHWLL-UHFFFAOYSA-N 475.998 5.107 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(C3CCN(C(C)C)CC3)C2=O)c1 837778624 DRNFGRBNCXCDIK-XMMPIXPASA-N 496.652 5.276 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1ccccc1 838488750 LSBAVEZFNBOLPL-XMMPIXPASA-N 487.581 5.058 30 20 JKED C[C@H](CCO)n1c(C(F)(F)F)nc2cc(NCc3cc(C#N)ccc3Br)ccc21 864039531 GLTZQBXSFWRGME-GFCCVEGCSA-N 467.289 5.245 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3sccc3C)C2=O)c(OC)c1 914545339 AJRFDCDEKWNAQI-OAQYLSRUSA-N 495.626 5.234 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1sccc1C 914557907 SWEUVNFKDJSDFL-OAQYLSRUSA-N 495.626 5.234 30 20 JKED N#C[C@H](C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102816 ICZGMQGUWCHRQJ-WMLDXEAASA-N 470.381 5.884 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915105111 YSXPITMYHSFUOT-GOSISDBHSA-N 485.487 5.918 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1nncc2ccccc12 915914254 LHKCQQBCTPSIRW-UHFFFAOYSA-N 458.481 5.035 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1ccc2ccccc2c1 916204284 BOWLICPKRLVMPT-RUZDIDTESA-N 480.593 5.438 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c(OC)c1 916212222 UHXBZHAPMRLATK-NRFANRHFSA-N 499.976 5.111 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)n2)cc1 916628493 UYJJPAZESPBTDQ-BNLHITBZSA-N 455.421 6.029 30 20 JKED CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 916679462 OZPIRJJCWGEOPE-SANMLTNESA-N 492.579 6.640 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1 916885017 KMJZABQNPQYENI-FKVZDPJESA-N 460.761 5.738 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916887618 NSXZPQNHPGSTOM-MRXNPFEDSA-N 459.499 5.095 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 916888835 ZXUCOGGYERMFHN-OAQYLSRUSA-N 488.519 5.815 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 916901494 JAWHRGFRPLTWLY-ZRFDWSJLSA-N 471.262 5.690 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 916901630 MPIYVHCSXZOVHH-SFHVURJKSA-N 492.988 5.386 30 20 JKED C=CCc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1OC 916906029 ANLZTKKYFKNLTQ-NRFANRHFSA-N 456.498 5.186 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 916950259 SNMSBVQIWXRFPZ-BTYIYWSLSA-N 485.531 6.232 30 20 JKED N#C[C@H](C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1nc2ccccc2n1C(F)F 917039781 DAHGITKKJAZCOO-XXBNENTESA-N 455.468 5.615 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cs1 917564008 UGJULBAAPCKDNU-YBFXNURJSA-N 483.018 5.990 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(C#N)cc3)C2=O)cc1 917675726 YXQIKWIQUMWYQT-XMMPIXPASA-N 484.581 5.117 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccsc1 917687997 YTLZQQPJZOOENU-QFIPXVFZSA-N 479.627 5.480 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@H](C)c3ccccn3)C2=O)c1 917703010 KPSOLFLGZIPLBZ-DVECYGJZSA-N 483.597 5.292 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(CC(F)(F)F)C2=O)cc1 917713489 MOCVNWHXMSMBIE-FQEVSTJZSA-N 491.535 5.535 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1 918415752 PDFCFWDAJLHTGA-QHCPKHFHSA-N 477.486 5.491 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 919681364 GRMOWBAMAPONFH-AWEZNQCLSA-N 466.881 5.306 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1 920109940 WVYUUQWCAVYXAG-BEFAXECRSA-N 453.951 5.273 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3ccc(Br)cc3)n2)cc1 920142163 SSRZKZYOLXUNOJ-GOSISDBHSA-N 468.401 5.554 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)SC2=Nc2ccccc2)no1 920354963 IUUBKRZXTQBVLQ-LJQANCHMSA-N 488.491 5.162 30 20 JKED COc1ccc(C2(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)CCOCC2)cc1 920805420 IFDNWHCONJHFOQ-QGZVFWFLSA-N 454.498 5.022 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)C)no3)CCC2)cc1 1786546648 QIRXWERPUIKXTN-FQEVSTJZSA-N 496.608 5.015 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)C(F)(F)c3ccco3)CCC2)cc1 1788650101 YAUMLXPJMPKDKX-ZHACJKMWSA-N 470.497 5.006 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1789454799 DCYRZHXVYPNJGY-FCHUYYIVSA-N 469.626 5.192 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1789493721 AVDBMELLNRURGB-QFIPXVFZSA-N 487.625 5.475 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccccn34)CCC2)cc1 1789508180 ULXZDTJACHONJD-UHFFFAOYSA-N 472.665 5.133 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789577527 CSCJYJXEEQRMCL-ZCTHSVRISA-N 492.579 5.517 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4csc(C(F)(F)F)n4)cc3)CCC2)cc1 1789883081 XSMUCWCVSDZSBB-UHFFFAOYSA-N 484.503 5.289 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(F)F)cc3Cl)cc2)CCC1 1790061589 HPLCDGZDUJJGDA-HNNXBMFYSA-N 493.938 5.490 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)cc2)CCC1 1790516934 RHKBATRLMMGPPS-UHFFFAOYSA-N 499.611 5.515 30 20 JKED CCOc1ccc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1790693134 ZKGCKVCOKAVKJR-LQKURTRISA-N 479.964 5.199 30 20 JKED CCSc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790705363 VIHBPDATYIOACE-UHFFFAOYSA-N 470.598 5.321 30 20 JKED Cc1cccc(/C=C/C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)n1 1790766256 QUVXPDSITYZOJQ-ACCUITESSA-N 470.960 5.376 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4c(F)c(F)ccc4c3)cc2)CCC1 1790965420 FEMXRPIISMCFRW-UHFFFAOYSA-N 461.512 5.454 30 20 JKED Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)c5n[nH]c6ccc(C#N)cc56)CCC4)cc3)ccc2[nH]1 1790988584 LJWTZFXJHBXPNW-UHFFFAOYSA-N 488.551 5.286 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3C)CCC2)cc1 1791243565 UQWVAMXIUOPUCN-HNNXBMFYSA-N 456.384 5.112 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)/C=C\C=C\C)cc2)CCC1 1791246166 UEDSSQWOLPBAFO-JJTCTYJVSA-N 467.610 5.112 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ccc(Br)cc34)CCC2)cc1 1791587922 UMQUXURIESISAA-UHFFFAOYSA-N 466.379 5.183 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)cc4)CCC3)cc2)cc1C#N 1792169111 SWZFCFHMJGOJAJ-UHFFFAOYSA-N 469.541 5.113 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792221541 QCOUXVLELLENKZ-OAQYLSRUSA-N 497.680 5.760 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)CCC2)cc1 1792262430 BFVYFMNHLAJHID-XMMPIXPASA-N 495.664 5.398 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc(Br)c1F)C2 1792567348 GYJNBRCNSFUYQN-REPLKXPHSA-N 479.434 5.151 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2ccccc2Cl)c1C(F)(F)F 1796473819 YXYOHJBYHPUVOD-NXOAAHMSSA-N 494.945 5.009 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800740014 GQVGHRMLOJQVAK-ACDBMABISA-N 487.522 5.342 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)c1 1801459329 KYVBZDIQANZFOR-YPHZUOLQSA-N 497.561 5.474 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)[C@H]2c2cccnc2)C1 1802416195 HPOHUKFNRLJMPG-IADCTJSHSA-N 492.623 5.495 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(Cc4cccc(F)c4)c3)[C@H]2c2cccnc2)C1 1802417670 KASZTHIAXJTEOB-LSYYVWMOSA-N 483.587 5.097 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)[C@H]1c1cccnc1 1802492635 QHAZKQBOGLNLAQ-RDGATRHJSA-N 472.589 5.049 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1803092246 ULSLXQRVJVHWFN-ZJSXRUAMSA-N 496.449 5.241 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)cc(Br)c1 1803912821 ILJXUEUSVCMEIK-ACDBMABISA-N 465.819 5.123 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc(Cc5cccc(F)c5)cc4)CC3)C2)C1 1804789128 AKHNBQYFCTUBBL-UHFFFAOYSA-N 460.593 5.228 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(N5CCCCC5)cc4)CC3)C2)c1 1805328875 TYTAPSOPKKNKMN-UHFFFAOYSA-N 498.671 5.026 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)C1 1806015183 OCXIQCKCQBACMP-OZXSUGGESA-N 454.655 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1806086861 JRNCYAPEXNPHNE-PQNGQFLHSA-N 474.630 5.088 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c1Cl 1807966349 PVTUBNUBTCELNP-AVRDEDQJSA-N 490.972 5.048 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810077072 NTSKMMHMSGCUBC-WZOHSFFVSA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1810171504 FZPYJNDIWSBPKZ-YCRNBWNJSA-N 465.644 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1810174070 RGFGLWSOUJCHGI-DCLXLUIPSA-N 494.060 6.038 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810504080 WMLYVSMBGAUAFD-SXOMAYOGSA-N 482.628 5.456 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2sccc2Cl)[C@H]1c1cccnc1)c1ccccc1 1811099835 UWIWIYBVGLEAFT-AOHZBQACSA-N 492.044 5.313 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811272267 KIYNLZPRJWWSGB-GGXMVOPNSA-N 482.628 5.002 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1811418784 ASFOMUAOMCUMBG-DZNWXHPMSA-N 479.024 5.143 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1811427959 UBUUFOBOIJGLLO-DWACAAAGSA-N 466.585 5.105 30 20 JKED CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1811976059 FSRGUFKPMGFZRP-AHKZPQOWSA-N 475.709 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1812498712 HZIWQXYHQVQOAU-RCZVLFRGSA-N 478.036 5.241 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812584959 XKQUFUISMODVOL-ILJKJKDTSA-N 468.041 5.393 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1812589517 GETMBLXZCYCYQQ-WTWMYVDVSA-N 477.608 5.013 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@@H]1c1cccnc1 1812591011 XIKBYELODZPJJR-JKJMAWGESA-N 485.603 5.343 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1812984532 DDDWUDWGNSPABZ-YIXXDRMTSA-N 492.063 5.446 30 20 JKED Cc1ccc(SCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813866340 PYQBJENVEALFBJ-LFGPKHSOSA-N 498.652 5.129 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4)[nH]n3)c[nH]2)cc1 1816102541 YIHYSNJDFWEPOQ-RUZDIDTESA-N 478.556 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)nc3)n[nH]2)c1 1816495285 GUXCBSHFTDLNKR-YWZLYKJASA-N 496.493 5.070 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)oc3cc(O)ccc23)n[nH]1 1818657680 DQADJHQXDDWVSA-FQEVSTJZSA-N 464.566 5.468 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(OC)ccc3o2)n[nH]1 1819002134 CPPYSQWOPPRRIP-HXUWFJFHSA-N 464.566 5.463 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)[nH]n1 1819306002 UTPIZOCEVNUWAI-URXFXBBRSA-N 469.589 5.546 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccccc2)[nH]n1)c1c2ccccc2n2ccsc12 1820099296 CBXJJEHWUAHUIY-HSZRJFAPSA-N 493.592 5.235 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)[nH]n1 1820910879 PRKPJAZNEJQFAX-URVUXULASA-N 499.656 5.030 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4sccc4c3O)[nH]n2)cc1 1821181907 ULMBRQIAPHRSRA-OAQYLSRUSA-N 485.569 5.016 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)[nH]n2)c(Cl)c1 1821276455 UBAYIURNVBFXQW-NRFANRHFSA-N 482.371 5.137 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c1 1821325879 SJKXALZMTZKJLQ-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3sccc3c2O)n[nH]1 1821506277 OAHZUAIHAAURPZ-LJQANCHMSA-N 466.607 5.628 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CCC(CC3)CC4)n[nH]2)c1 1822962055 HMISUPYQDMQUFT-GMFFSCQLSA-N 459.594 5.313 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C)c2Cl)n[nH]1 1823142119 YCWMULDRDQCLAD-KBXCAEBGSA-N 480.396 5.132 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4c3OC(C)(C)C4)[nH]n2)c1 1823212191 LVTJMLLCNRUTFK-KOSHJBKYSA-N 497.599 5.370 30 20 JKED COc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(Cl)c1 1823248497 LFFGHVBLGNHDJD-MWTRTKDXSA-N 491.979 5.318 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)cc1)C(F)(F)F 1823380437 AWAGMKXAGVRNDU-JXFKEZNVSA-N 487.526 5.004 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC2)C1 1823703435 ZGKWLQKNKHUBDN-RBZQAINGSA-N 485.466 5.139 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2noc3ccccc23)CC1 1827087427 ITLDNLJPSBEXPX-VWLOTQADSA-N 493.724 5.041 30 20 JKED CCc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc(C)n1 1827926603 OZEWGVDTXGNVIV-SANMLTNESA-N 481.757 5.237 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1828824819 OPCIPNAZQWFDQS-URQJIXFOSA-N 489.704 5.753 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1828829665 KWCPESLYQMRVKK-RPWUZVMVSA-N 491.598 5.421 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccco3)no2)CC1)c1ccccc1 1829032331 HOYAGHUAKMSUIL-RSXGOPAZSA-N 499.611 5.365 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](C)Oc2ccccc2)CC1 1829071334 UCBRKVSLMRFKTL-DHLKQENFSA-N 454.655 5.456 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829411255 VLSORUGUMRTDFV-FQEVSTJZSA-N 483.962 5.181 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CCC1 1829562539 DBRJQCYBOYIBJY-AREMUKBSSA-N 494.639 5.533 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)c1Cl 1829690037 ZOWAOGZNVMFHKC-XMMPIXPASA-N 492.982 5.379 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829821268 BWHQUQBSVKJLHB-VWLOTQADSA-N 498.788 5.311 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830532014 NKEIGIFOQBZMGI-JOCHJYFZSA-N 484.534 5.061 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1830628804 MCTOXUKXZJUFMN-MUUNZHRXSA-N 492.623 5.362 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occc4c3)CC2)c1 1830769221 KLRKDRXORPZAHA-RUZDIDTESA-N 455.558 5.160 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)CC2)c1 1830877988 GUAXDOZHWIUOMU-AREMUKBSSA-N 487.003 5.307 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4sccc4c3O)CC2)cc1 1830958898 IWAYOYKKUFUQTF-DEOSSOPVSA-N 487.625 5.220 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nscc23)CC1 1830967458 AYZUIKAGUXUTAY-DEOSSOPVSA-N 451.636 5.298 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 1831369180 HDGUQEDXHBTANL-XXBNENTESA-N 499.055 5.155 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1831371017 QILUCSPFAAJRQL-DXMHNEBDSA-N 463.622 5.022 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1)C(F)(F)F 1831453221 XFGRUDVXLSTQBP-GOSISDBHSA-N 468.516 5.392 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1831846067 VLDCTBAMJNTHLQ-DVECYGJZSA-N 452.620 5.031 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1832029935 YDLNPCPQFYZOBO-HSZRJFAPSA-N 463.647 5.237 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)CC1 1835683163 PTXYTNRCYMROOQ-NDEPHWFRSA-N 499.699 5.616 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](F)c4cccc(F)c4)c2)C3)c1 1846829550 APMLQKSWVBBULJ-CCLHPLFOSA-N 499.561 5.642 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174062 QQPGGICOTIPQDO-UHFFFAOYSA-O 479.931 6.139 30 20 JKED Cc1oc(NC(=O)COC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c(C#N)c1C 10420866 MHXADSYGTFCWMX-UHFFFAOYSA-N 457.511 5.354 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc2sc(Nc3ccccc3)nc2s1 10712276 IGGHAZJGPYRDOW-UHFFFAOYSA-N 480.596 5.513 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 10831469 LCMDJDXELZIVTJ-UHFFFAOYSA-O 492.089 6.948 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2C(F)(F)F)c1 11157071 GASJLNBWRMMUNN-UHFFFAOYSA-O 451.440 5.630 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(CC)cc2)cc1 11251494 NRXLRRALBKNOBH-UHFFFAOYSA-O 469.533 5.042 30 20 JKED COc1cccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 11260660 VIJFIIJKCRJLLF-UHFFFAOYSA-O 484.645 5.580 30 20 JKED Cc1c(C#N)c(NC(=O)CN2C(=O)S/C(=C\c3cccs3)C2=O)n(C2CCCCC2)c1C 11897512 BZEFHZSEIOYXHZ-ODLFYWEKSA-N 468.604 5.218 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 15276416 RHFNEHRZRLLRAV-QGZVFWFLSA-N 450.608 5.557 30 20 JKED C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16938628 GBVDRKISDSASDF-MRXNPFEDSA-N 499.015 5.037 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nc2sc(-c3ccccc3)c(C)c2c1=O 17186343 YTIRVNDUTRWJRO-UHFFFAOYSA-N 486.622 5.416 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCCC3 20047542 GDKBNURLBISLBD-AWEZNQCLSA-N 450.589 5.426 30 20 JKED CC(=O)Nc1ccc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 20916622 PDCUPHCPEJLGLK-ZZZAPRPPSA-N 489.575 5.895 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nnc1-c1ccco1 23202042 DFSPZPXVIABNHO-UHFFFAOYSA-N 471.995 5.811 30 20 JKED N#CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F)c1ccccc1 23427487 WAPGFXVAQFBMSL-UHFFFAOYSA-N 494.498 5.053 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 25839532 VPTMHRDGGDNLND-UHFFFAOYSA-N 466.541 5.610 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2ccc3c(c2)OCCO3)c1 28649167 YLRRBFQEZOXYSU-UHFFFAOYSA-O 474.389 5.411 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(CC)ccc(Cl)c1CC 33151934 XNMRZIKRUNLCAP-UHFFFAOYSA-N 465.775 5.515 30 20 JKED CN(C(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1)C1CCCCC1 72001258 UHERITJLJQSEKN-UHFFFAOYSA-N 469.610 6.366 30 20 JKED CCN1CCN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c(C)c2)CC1 104680688 BGGFEZIARHZVBN-UHFFFAOYSA-N 456.615 5.412 30 20 JKED C=CCN(C(=O)c1csc(-c2cnn(C)c2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 107920339 YKMIZDAPOYTHNS-UHFFFAOYSA-N 476.414 5.807 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1 138102934 NWBWYHNDGQVMPQ-UHFFFAOYSA-N 495.004 5.255 30 20 JKED Cc1sc(NC(=O)c2ccc(COc3ccccc3C#N)o2)nc1-c1cccc([N+](=O)[O-])c1 195704387 GFATUQTYLFQKLG-UHFFFAOYSA-N 460.471 5.323 30 20 JKED C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 248053058 XQIMYKXAJBHZCK-GOSISDBHSA-N 466.916 5.917 30 20 JKED COc1ccc(CCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1Br 303151804 GCDARQGRPXHEGN-QHCPKHFHSA-N 479.374 5.350 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(OCC(=O)Nc4ccccc4)c3)c2)cc1 482997949 UVRQLHMUKJCXJM-UHFFFAOYSA-N 463.493 5.620 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)s2)cc1 487383819 DUDXMJJESUFQBH-GOSISDBHSA-N 499.423 5.403 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)nnc1-c1ccc(Cl)cc1 494012479 PCCRFYHIOVFVNR-UHFFFAOYSA-N 493.898 5.675 30 20 JKED C=CCc1cc(CNC(=O)c2cccnc2SCc2ccc(F)cc2)cc(OC)c1OC 497322646 MXDJMGHVEJDHIM-UHFFFAOYSA-N 452.551 5.189 30 20 JKED N#Cc1c(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)sc2c1CCCCCC2 498370389 CPQYOTCRIYIQKU-UHFFFAOYSA-N 463.460 5.270 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 500763122 VILMGSSIKCUGTE-UHFFFAOYSA-N 482.915 5.543 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 501142306 KXNJTLIPBZCKRF-UHFFFAOYSA-N 474.923 5.875 30 20 JKED C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1nc(-c2ccccc2)cs1 504068588 KNIMDYQZBBJTDK-QGZVFWFLSA-N 467.554 5.817 30 20 JKED Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 508583567 SCRSGSOPBGTJKA-UHFFFAOYSA-N 477.568 5.683 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1)[C@@H](C)c1ccc(C#N)cc1 509603199 KOPGHHDHZCHSSP-SFHVURJKSA-N 465.550 5.030 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 511339363 VXFFSBLBESILBU-QHCPKHFHSA-N 461.587 5.606 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3cccs3)C[C@H]3CCCO3)c2)c1 511533489 VIDJSIZLNQHQQZ-JOCHJYFZSA-N 460.559 5.085 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1Cl 513542813 JXOLCHUJPJNRHJ-MHECFPHRSA-N 462.956 5.783 30 20 JKED Cc1cc(-c2cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c3c(C)noc3n2)c(C)o1 515539079 IDDJPPHYJCOQDC-MRXNPFEDSA-N 462.918 6.161 30 20 JKED N#C[C@@H](C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 516790122 IJFUJDJNIIDRJG-NRFANRHFSA-N 491.576 5.618 30 20 JKED COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1 517447807 QQNRDIKZPDXBDJ-AWEZNQCLSA-N 471.633 5.273 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)cc1OC 517456272 IPUUVYPYOOAKGW-AWEZNQCLSA-N 453.589 5.640 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 519459279 PPFBPLVJTFPRLG-UHFFFAOYSA-N 495.501 5.154 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2C#N)C(C)(C)C1 520165764 ILASGFRYJFOETL-SNAWJCMRSA-N 479.587 5.511 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 520848038 DFOZTNRZRAEKGZ-OAHLLOKOSA-N 495.592 6.028 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 520856834 TYBVFVINFKNOIU-LIRRHRJNSA-N 450.391 5.851 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 521061178 SVYDEQVDOISGEM-HXUWFJFHSA-N 480.012 5.616 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 521329623 JECSIFJZQBZPNH-QGZVFWFLSA-N 458.612 6.502 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)oc3ccccc23)s1 522145471 ZGGRDNGHMJLOSV-LBPRGKRZSA-N 480.640 6.195 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(Oc5cccc(C#N)c5)nc4)CC3)c2c1C 603623042 CQQLEZJSBMNEQT-UHFFFAOYSA-N 484.585 5.222 30 20 JKED COc1cc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)n2)cc(Cl)c1OC 604113829 DDJNFKXHYYMURN-GFCCVEGCSA-N 486.981 5.036 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3oc4ccccc4c3CSCc3ccccc3)CC2)nc1 608951526 MTMVUCPFRZDAMO-UHFFFAOYSA-N 482.609 5.532 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 608995838 JQAIOZGIHNOYPO-UHFFFAOYSA-N 454.530 5.085 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc(OC)c1OC 609006755 ROKMUNDAEQMZOR-SFHVURJKSA-N 496.976 5.069 30 20 JKED CCn1c(SCC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 609028528 BKTYEFCKHAINJI-HSZRJFAPSA-N 456.571 5.108 30 20 JKED Cc1noc(CSc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)n1 609103955 LADOUPMYEOVNIR-UHFFFAOYSA-N 474.517 5.512 30 20 JKED C[C@H]1CCCCN1CCOc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 609151975 JAXKYTZALDLOAM-SFHVURJKSA-N 493.658 5.208 30 20 JKED N#C[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(OCc2ccccc2)cc1 609173064 KTCNNDPPXBPTNZ-GMAHTHKFSA-N 477.973 5.103 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 609370882 GCNYKNSKTVXIQV-CQSZACIVSA-N 454.646 5.553 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 609378617 RXSCDLLGRGZYLQ-SFHVURJKSA-N 475.536 5.131 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)sc2nc3n(c(=O)c12)CCCCC3 609427455 ZDGZADINYPAUMT-UHFFFAOYSA-N 470.554 5.409 30 20 JKED N#C[C@@H](C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 613404481 ODJWGXZBSXJKIW-HNNXBMFYSA-N 491.292 5.753 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc2c(C(F)(F)F)cc(O)nc2o1 617993836 VOWHMWCCUMOEQE-UHFFFAOYSA-N 454.254 5.007 30 20 JKED CC(C)(CC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)C(F)(F)F 622517252 DTURIFMPQFAFOV-ZDUSSCGKSA-N 451.329 5.603 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)C12CC3CC(CC(C3)C1)C2 645079367 KRRKVOQIAPMMES-UHFFFAOYSA-N 458.027 5.574 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cnn(CC)c1 726117160 SMHKBCVOAUUYNW-GOSISDBHSA-N 481.544 5.072 30 20 JKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1-c1ccccc1Br 726320250 ULWCTAXYEHRKIC-IBGZPJMESA-N 472.342 5.569 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 726393152 MVKRKIXESQBYMR-VGSWGCGISA-N 471.598 5.334 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N/[C@H](C)c1cccs1 726418850 FTZJVFGMOLSYAN-PKWGXKOHSA-N 481.643 5.328 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccsc1)c1cccs1 726419684 GMMIDYKWFUTGFG-REEHFQDMSA-N 455.630 5.400 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(C3CCCC3)C2=O)cc1OC 726421381 MTWBMCQSUMLXFQ-BUOZQURKSA-N 487.647 5.098 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@@H](C)c1cccs1 726421707 OTGXODURJVLQKG-QTTWMTAASA-N 499.580 5.193 30 20 JKED C#Cc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccc3c(c2)CCCC3)c1 726572940 QZXBXZYLCGSPMR-UHFFFAOYSA-O 496.656 5.564 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726889765 SHWLPXOIAIOOEC-FOIQADDNSA-N 498.605 5.321 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 728031780 BSJRTEOMFVLJJS-HTAPYJJXSA-N 485.540 5.001 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 728120232 XLPQSPRERCLAJH-UHFFFAOYSA-N 454.574 5.708 30 20 JKED N#Cc1ccc(NCCNC(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)nc1 728126743 VHWSNFMIDHHYKZ-UHFFFAOYSA-N 476.899 5.320 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCCC#N 728776189 MIKYHFCLRCZCKO-HXUWFJFHSA-N 452.555 5.097 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCCC#N)C1=O 728780600 VBMNUEPJSNUDNE-NRFANRHFSA-N 479.993 5.174 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1C 729142233 IJOIPAZCNGNELR-FQEVSTJZSA-N 482.606 5.368 30 20 JKED Cc1cccc2c1CC[C@H]2N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(C)C)cc1 729630840 BGQBFGHNPAADOV-DNQXCXABSA-N 477.630 5.070 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(C)c1C 729634503 NBUHICLFNFQVOX-DEOSSOPVSA-N 483.597 5.039 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)Nc1ccc(Cl)cc1Cl 729668383 IHNOYBUWKIIGEE-UHFFFAOYSA-O 478.377 5.274 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCCc2c[nH]c3ccccc23)C1=O 730709839 CSWHLHFHVSOZGN-FQEVSTJZSA-N 489.428 5.175 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)cc1 730715082 BFNRHUISBNUJPR-NRFANRHFSA-N 498.992 5.196 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 730942330 MUJZMUORJBPTAH-HRAATJIYSA-N 498.530 5.822 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731304912 BZWLUASFMOITMY-LJQANCHMSA-N 486.018 5.576 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CCCC2)c1 731312994 UXWQZBYLPZJMLS-QHCPKHFHSA-N 497.617 5.093 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 731400873 WQABQWSZLUYAKV-YJYMSZOUSA-N 457.905 5.306 30 20 JKED CCN(CCC#N)Cn1nc(-c2cc(Cl)ccc2OC)n(-c2ccc(OC)c(Cl)c2)c1=S 742540422 JYJFHQHXCKSQMF-UHFFFAOYSA-N 492.432 5.587 30 20 JKED COc1ccc(/C=C(/Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)cc1OCCCC#N 747361662 VBXFDELBESPWDQ-LDADJPATSA-N 495.963 6.219 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(CCc3nccs3)C2=O)cc1 747598330 ATYUPMABLBTIBC-NRFANRHFSA-N 494.642 5.053 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 749339027 XGKFVFMTXNHNKF-CQSZACIVSA-N 467.234 5.159 30 20 JKED Cc1ccc(NC(=O)c2ccccc2SCC#N)cc1S(=O)(=O)Nc1ccccc1Cl 769619491 VRMYOAGVUWEVNM-UHFFFAOYSA-N 471.991 5.317 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCc2ccccc2F)C1=O 837301140 GLMJYTAKPRQSHT-HSZRJFAPSA-N 495.551 5.176 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 837535977 NGSBWMPEIIGZFF-KBMIEXCESA-N 480.593 5.956 30 20 JKED C=CCOc1ccc(C(=O)O[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)cc1OC 857838317 LLIHTWXIFWABDY-QGZVFWFLSA-N 461.539 5.635 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915729196 GSTCPTJELHKZCE-IZLXSDGUSA-N 475.548 5.195 30 20 JKED COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OC1CCCC1 915772294 NPDNPYHZGHQNKY-FQRUVTKNSA-N 497.595 5.488 30 20 JKED O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=Nn1c(S)nnc1-c1cccs1 916314204 OZZHDJHIQHDZOO-UHFFFAOYSA-N 496.577 5.137 30 20 JKED CCOc1cccc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)c1OC(F)F 916320584 CALHCQLQWHUQJO-UHFFFAOYSA-N 476.549 5.326 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4ccc(Cl)nn4)c3C(F)(F)F)c2)c1 916382694 VUAUIXYOUHHKNA-UHFFFAOYSA-N 498.852 5.037 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976094 JESJXCQOOJEPTB-GHTZIAJQSA-N 481.980 5.260 30 20 JKED N#C[C@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977688 WTJIVYGEKBMQCL-DHIUTWEWSA-N 485.996 5.681 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc(I)cc1)c1nc2cc(Cl)ccc2s1 917046174 GVMQIPKEKJVDCF-AWEZNQCLSA-N 494.741 5.394 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@H]1c1cccc(C#N)c1 917377614 FEKWDXQUESSREZ-SANMLTNESA-N 466.610 5.778 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S 917457266 DKCXKOYSVBELNQ-UHFFFAOYSA-N 452.609 5.117 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2ccc(Br)cc2)c1=S 917487509 RMCXDMFRWMIELP-IBGZPJMESA-N 456.413 5.219 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 917624291 AWRQRTAJNRUZPK-UHFFFAOYSA-N 453.951 5.130 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCSc1ccccc1 917704035 QWEQEULKSPSEDM-HSZRJFAPSA-N 486.622 5.311 30 20 JKED C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 917931316 LWXUYLRDECPNPY-OAQYLSRUSA-N 454.574 5.567 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)c1 920107547 DFXZUBVZUBNENQ-DEOSSOPVSA-N 497.551 5.141 30 20 JKED Cn1cc(C=NNc2ncnc3cc(-c4ccc(Br)cc4)sc23)c(-c2ccncc2)n1 920372776 CFRJHYQMEGEKGE-UHFFFAOYSA-N 490.390 5.362 30 20 JKED N#CCOc1ccccc1C(=O)O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 920413981 LXTJNDZQFBELJX-NRFANRHFSA-N 454.404 5.145 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920804392 QBJRJOQYQWKLTP-SIKLNZKXSA-N 487.531 5.826 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc(-c2c(F)cccc2F)cs1 920806914 SODCQDKKLBDWEI-WMZHIEFXSA-N 486.499 6.033 30 20 JKED Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807079 XLGAQLSZDKFAAM-FXAWDEMLSA-N 467.541 5.418 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C(C)C)cc1 920869048 MUZRELZOQOSFOK-JPYJTQIMSA-N 483.634 5.061 30 20 JKED COc1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1S(=O)(=O)Nc1ccccc1Cl 920943187 RSDMEJVKHHPYCW-UHFFFAOYSA-N 485.776 5.912 30 20 JKED C#CCNC(=O)c1ccccc1NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 921162805 RYMLCNSIADUYGS-MNDPQUGUSA-N 496.548 5.137 30 20 JKED CC(C)(C)OC(=O)N1CCC(CCC(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)CC1 1785937773 VHUYMGIWTRUESD-UHFFFAOYSA-N 496.652 5.098 30 20 JKED CC(C)N1CCC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)CC1 1786666203 SJTJEVWXFDAUJE-UHFFFAOYSA-N 479.024 5.080 30 20 JKED Cc1ccncc1CCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1786879843 FISDIHQUETWDJC-OAQYLSRUSA-N 466.585 5.398 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1 1787624936 VANWILNJOKZINK-QFIPXVFZSA-N 469.626 5.170 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCC1 1789004610 GLDXHDSIJGUFIT-OUKQBFOZSA-N 470.550 5.681 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4cc(OC)ccc34)cc2)CCC1 1789119274 IXJOUDQHDQBMBF-LFYBBSHMSA-N 479.527 5.535 30 20 JKED COc1cccc(OC)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1790237681 ICSUKJHAZPZRHA-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)c1 1790764043 RSVLGJMTBBNRJU-UHFFFAOYSA-N 471.410 5.371 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)CCC1 1791399706 YUKFWWLMZXHXAL-OAQYLSRUSA-N 495.664 5.514 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(F)c(F)c(F)c3)cc2)CCC1 1791502282 BITJCBBDINACJQ-IZZDOVSWSA-N 472.507 5.234 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccc(Br)cc34)CCC2)cc1 1791584686 VLVDNWKIZYCXGZ-UHFFFAOYSA-N 490.401 5.549 30 20 JKED Cc1nccn1[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1791932725 YKYFPQBTATZDFH-INIZCTEOSA-N 495.505 5.091 30 20 JKED COc1ncccc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792123168 KUNYXJNFBRJRFK-FQEVSTJZSA-N 482.584 5.098 30 20 JKED CCSc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124804 JGMWYENIJDQGIK-IBGZPJMESA-N 484.625 5.882 30 20 JKED O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1 1792170031 CUDIYETYRKPSBT-UHFFFAOYSA-N 462.365 5.545 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 1794715281 SZVKGTQLDZMDSA-WKCHPHFGSA-N 486.538 5.116 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC(F)(F)F)cc1Cl 1799251116 YSXZBZMYZNYYOR-BJWYYQGGSA-N 486.962 5.525 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C#N)c1Cl)c1ccc(Cl)cc1 1799299572 UANTZBCHUUFJDP-KGSLCBSSSA-N 484.427 5.557 30 20 JKED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1Oc1cccc2ccccc12 1799837127 WAPAFOIXUYXGHL-NONBHWBCSA-N 484.596 5.048 30 20 JKED Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)c(Cl)c1 1800744191 LFPBKLVQPAGFPL-REPLKXPHSA-N 475.898 5.105 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cncc2Cl)[C@@H]1c1cccnc1 1802362076 RMSNPMMSZJQEJU-UWJYYQICSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[C@H]1c1cccnc1 1802498947 CYQHJFUGQVPDKX-HVCNVCAESA-N 497.083 5.036 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)C1 1805453577 NOOAYRFLVLCJPY-UHFFFAOYSA-N 462.556 5.248 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1809244447 PMTUCLDBADTXDZ-WNCULLNHSA-N 487.676 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3scnc3c2)[C@@H]1c1cccnc1 1809954683 HGWLQBFWROMXJA-REWPJTCUSA-N 462.619 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1810531642 MSHBJBQAAHJOIS-AOYPEHQESA-N 477.674 5.265 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c(OC)c(C)c2)[C@@H]1c1cccnc1 1811539889 UYXADKRJQNICET-UPVQGACJSA-N 463.622 5.019 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(NC(C)=O)ccc2Cl)[C@H]1c1cccnc1 1813997374 UVPYFDPYRQQCPA-HYBUGGRVSA-N 497.039 5.005 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)[nH]n1 1814829827 VWIYTJNQXXEOPY-DEOSSOPVSA-N 473.577 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2ccc(Cl)c(F)c2)n[nH]1 1815149675 ISQFEZWUDIWQNZ-LAUBAEHRSA-N 474.964 5.042 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2C1 1817356629 SNDQHJSDHBGFKH-SFHVURJKSA-N 478.618 5.325 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccnc4ccccc34)n[nH]2)c1 1818445521 YUWDPGXMVSWUOK-BVZFJXPGSA-N 478.556 5.205 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819029346 WJCJPMWWFVSESA-WBVHZDCISA-N 454.621 5.760 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1819480852 GSKNKMBDTRICAG-DRQPSCMVSA-N 495.539 5.327 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)[nH]n1 1819556772 MHAUYQGQOXWNIH-HXUWFJFHSA-N 458.990 5.370 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820116047 ZXBXIRNYWKKILV-QFIPXVFZSA-N 485.613 5.729 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2C(F)(F)F)n[nH]1 1820468708 QNVNRLLVYALAPO-OXQOHEQNSA-N 460.500 5.503 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc(F)c2)n[nH]1 1820625861 YILZMYZOOZWWPI-NRFANRHFSA-N 472.612 5.045 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1821919675 AOLAKYLHRHJOOA-WMZHIEFXSA-N 457.578 5.298 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cccc(OC)c2)n[nH]1 1822126255 JQVHJHRASQXIQI-TWLJRWAQSA-N 450.583 5.116 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1823215587 XCKUZEMPQLZZIZ-HNAYVOBHSA-N 489.626 5.933 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c[nH]1 1823682023 NLHDOCJMVKZGDH-VWLOTQADSA-N 474.649 5.050 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cc(F)ccc3Br)CC2)C1 1823697007 DJHVAXQMPCXJDD-HSZRJFAPSA-N 491.445 5.107 30 20 JKED CC1=CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)sc3C2)CC1 1823746339 INVOTSWJIWCUQE-YJBOKZPZSA-N 488.535 5.006 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)[nH]c12 1824053044 AIANNFSJCOIFNI-MHZLTWQESA-N 482.628 5.214 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1824168447 HZYDUWFZNCDSLB-QTJGBDASSA-N 491.717 5.148 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1824540646 MTXMLIVGBCTHOA-RCZVLFRGSA-N 494.661 5.011 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3nc(Cl)ccc3F)CC2)c1 1825365430 KTTZYPMRLJLXRN-VGSWGCGISA-N 482.987 5.048 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nccc3occc23)CC1 1827301896 FFISKZFDOHXSTJ-QHCPKHFHSA-N 479.697 5.112 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c2O1 1827515674 IBMDBLOKBJIEGP-MHZLTWQESA-N 499.655 5.403 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828168517 CCMDQYOZSFKHFT-RLWLMLJZSA-N 461.650 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828686582 YVXYVOZPUPKVHM-OFNKIYASSA-N 469.029 5.218 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1828830072 KHCNYVNTTCAYKX-FCHUYYIVSA-N 485.650 5.075 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1828877232 ABYOACCXRGBSIO-BJOYHEJJSA-N 487.669 5.335 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)CC1 1828935858 VBMNPJWMRMABEW-ZRCDDJQWSA-N 464.675 5.262 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1)c1ccccc1 1829033125 UHBXFJVKFINDNN-VWNXMTODSA-N 499.577 5.464 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1829069639 ANPYTPKGHZDIQH-GOTSBHOMSA-N 491.717 5.292 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2c(C)cccc2C)CC1 1829100603 TXENDRCTKYWLPN-NRFANRHFSA-N 464.622 5.227 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829570174 IAARFIXGTHGBON-NTKDMRAZSA-N 474.605 5.268 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829610251 ZANNNDXWFJCURS-DEOSSOPVSA-N 487.648 5.008 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3)CC2)cc1C#N 1829966992 VSRYHLYWFQFBST-RUZDIDTESA-N 477.580 5.032 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(F)c2F)CC1)c1ccc(O)cc1 1830086624 ZZDCZCQIUGAEBZ-GJZUVCINSA-N 494.582 5.101 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1830471264 NFRSQWHVXGIGJL-RUZDIDTESA-N 494.035 5.546 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1830770764 JILXDMAAMDGPBH-XMMPIXPASA-N 467.972 5.206 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830807451 YXUVOAHRGGNDDE-RUZDIDTESA-N 465.544 5.169 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cc(Br)cnc23)CC1 1830999589 VCRWSZMSEADLGV-QHCPKHFHSA-N 496.449 5.034 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)cc1)C(F)(F)F 1831237296 GCRWCSSSHFMHCT-WMZHIEFXSA-N 489.582 5.208 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)CC1 1831239529 DXMHJYGOWPHXNU-XMMPIXPASA-N 473.057 5.279 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1831852490 NTDAAAWZYZSECZ-OAQYLSRUSA-N 468.947 5.396 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1832029820 RGDZLXBURVQUIC-VWLOTQADSA-N 487.669 5.876 30 20 JKED COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1832538764 FWNRTJQTSFMXKS-FNZWTVRRSA-N 473.617 5.178 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1832629499 SGGHTPMCIPEKMG-SKCUWOTOSA-N 482.628 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccncc3C(F)(F)F)CC2)c1 1832630776 MOBGXYFVUGEPAW-KOSHJBKYSA-N 498.549 5.275 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832689455 OEHODXVZJINQDN-BXKMTCNYSA-N 499.989 5.792 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CCC1 1832719134 ANYHEVCSXGKSPP-IBGZPJMESA-N 482.839 5.574 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(CC)CCC2)CC1)NC(=O)OC(C)(C)C 1832754178 UJZNFMSTXCHLMU-XZOQPEGZSA-N 489.701 5.046 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CCC1 1832785206 NGTQHYGKTURSFX-SANMLTNESA-N 491.582 5.559 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)CC1 1836744960 PONGAZWFIVJXCH-KAYWLYCHSA-N 466.666 5.193 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C1 1846266697 HCKSYWCIMLXWAF-SANMLTNESA-N 497.639 5.261 30 20 JKED CCc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2Cc2ccccc2)cc1 8621048 ZFXPSJKEEKDBHP-FQEVSTJZSA-N 497.624 5.459 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1OC 10242859 CDTLIAPOCWMXEV-CQSZACIVSA-N 478.496 5.158 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)nc2sc3c(c2c1=O)CCC3 10658460 NIEWGGWFFIIQQF-LBPRGKRZSA-N 469.661 5.190 30 20 JKED CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(C3CC3)nc(SC)c2C#N)cs1 10711904 YLUXHRAOTFMSLN-UHFFFAOYSA-N 492.626 5.613 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1[C@H]1COc2ccccc2O1 21089231 RQDHYEFUBLMLGZ-QGZVFWFLSA-N 477.373 5.014 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC(C)CC2)nc2scc(-c3ccccc3)c2c1=O 21140163 SZZAFEXLLVVXGJ-KRWDZBQOSA-N 453.633 5.050 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 22245727 UMIDEXCCUPMUAZ-LJQANCHMSA-N 499.681 5.149 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(COc2ccc3ccccc3c2)o1 24672203 YKGNVHPYVMVLBC-UHFFFAOYSA-N 472.522 5.423 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(C)c(F)c2)cc1 28811070 HEJQSXAEGPRYSW-UHFFFAOYSA-O 486.430 6.188 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)o2)cc1 68734823 PFBNOHDUNHWBSM-UHFFFAOYSA-N 486.553 5.121 30 20 JKED COc1ccc2c(-c3ccccc3)cc(SCc3nc4ccccc4c(=O)n3CC#N)nc2c1 96299520 ULOQUKMYDQHYBC-UHFFFAOYSA-N 464.550 5.436 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c12 107881864 KZSBRZWVUTXDRU-UHFFFAOYSA-N 471.527 5.695 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(C)cc2)c1 110220871 RILSMRCSRYNIHS-UHFFFAOYSA-N 454.979 5.306 30 20 JKED Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2F)n1 195571655 GYZFBNWKNYJGHP-UHFFFAOYSA-N 456.546 6.045 30 20 JKED O=C(NCc1cccc(OC(F)F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 409632999 RPTANIQHKXOHEW-UHFFFAOYSA-N 496.770 5.409 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 481660951 USPVVGXRUJZYMF-RUZDIDTESA-N 459.521 6.044 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)n2)cc1 481828189 BZRFHIVODLQKMQ-LJQANCHMSA-N 480.471 5.317 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)cc1 498363958 OENVNAGPTMYUDP-UHFFFAOYSA-N 488.487 5.827 30 20 JKED C=CCN(C(=O)Cc1cc2c(cc1Br)OCCO2)c1nc(-c2ccccc2)cs1 500298447 KLCVCLFWEIKIND-UHFFFAOYSA-N 471.376 5.106 30 20 JKED C[C@@H](CNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1ccc(F)cc1 503368014 MPTMYFMAMGZPDR-JTQLQIEISA-N 494.798 5.631 30 20 JKED C=CCN(C(=O)c1nnn(-c2ccccc2Cl)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 504473932 QAEXEFWVLVQXRT-UHFFFAOYSA-N 480.937 5.094 30 20 JKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 505050883 GXGVSIUTTMNVSW-HSZRJFAPSA-N 460.965 5.912 30 20 JKED N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)cc2)nc1 507755201 LUJBYNMDMZQBAL-UHFFFAOYSA-N 467.510 5.006 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1 508276419 SZDLQQCYWCZXQU-FQEVSTJZSA-N 455.436 6.174 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 510906113 WITZAHPEIRTNCX-UHFFFAOYSA-N 463.484 6.013 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)n2)cc1 512497986 DXKLTUHBEULJHI-NRFANRHFSA-N 485.540 6.009 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)C[C@H]2CCCC[C@H]21 515062311 ZFERZBWUOUQCBD-PTUXOGIPSA-N 486.597 5.102 30 20 JKED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc(Cl)ccc2s1 515546784 ASOGJMPWUXALMO-SFHVURJKSA-N 474.007 5.004 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-])c1ccccn1 516710796 TYHGQOJGIPCKPX-GOEBONIOSA-N 476.443 5.398 30 20 JKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 517460639 NUZQGTDIKHVRBV-PNCHPQGNSA-N 493.032 6.363 30 20 JKED C[C@H](Nc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-])c1ccccn1 517492186 LOPMHUQYURNDTR-ORAYPTAESA-N 470.316 5.464 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4cccc(Br)c4)CCOCC3)cc2)c1 517528744 GHMSLWMTPNDINI-UHFFFAOYSA-N 492.373 5.940 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)c2)cc1 518700291 BJLPITUPVWVOSD-UHFFFAOYSA-N 496.588 5.558 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSCc2ccc(Br)cc2F)cc1 521753542 NUSMJUWVNWFPJK-UHFFFAOYSA-N 451.361 5.167 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 521800463 NKWYJGKOXXOEQT-KURKYZTESA-N 452.580 5.724 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3cccc(Cl)c3Cl)cc2Cl)c1 524431215 ADPTXDDJKBYOCJ-UHFFFAOYSA-N 488.758 5.352 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c3c(C)noc3n2)c(C)o1 591311134 BYHZMPTZZOFPBK-UHFFFAOYSA-N 455.499 5.656 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1ccc(OC(C)C)cc1 596533235 BGWYAJAAEYJSDZ-KRWDZBQOSA-N 485.491 5.482 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 603465209 FDPGLPDOKONDDG-UHFFFAOYSA-N 491.638 5.277 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 603530320 LCTCOGSCTURPKX-SANMLTNESA-N 474.004 5.758 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 603685419 QESSYWPDCAOJFN-MYJAWHEDSA-N 482.299 5.175 30 20 JKED Cc1c(NCCOc2ccc(C#N)cc2)cccc1NC(=O)c1ccccc1I 604010871 IFHSSNWYHDBPOQ-UHFFFAOYSA-N 497.336 5.215 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1Cl 604207322 BXAXBYOVLKIKCL-SIKLNZKXSA-N 498.970 5.481 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2)cc1 604241745 LFBWCZBIZGPZMK-UHFFFAOYSA-N 484.537 5.107 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)ccc3Br)cc2Cl)c1 609062760 GDLMHXLBORMYJW-UHFFFAOYSA-N 459.702 5.945 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)N2CCCC2)cc1 609078889 SQCMGMWGIOAXLW-NDEPHWFRSA-N 484.600 5.413 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)NCC#N)n3-c3ccccc3)c3ccccc3n2)cc1 609406956 KBJMFDKIGAWNGZ-UHFFFAOYSA-N 490.592 5.190 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 609427487 DQKTWAGBNRXSLW-INIZCTEOSA-N 494.414 6.348 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618295476 QWMZKTFTDHZXDX-PHIMTYICSA-N 461.246 5.927 30 20 JKED O=C(NCc1cc(Br)ccc1F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642955018 ZRDQVJRSLZYBAB-UWVGGRQHSA-N 465.207 5.297 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 645079448 IZIQQXQWHJBOGV-SFHVURJKSA-N 471.026 5.741 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2cccc(O)c2)N=C1C 725763829 OGAOSECGBXGQGF-UHFFFAOYSA-O 484.601 5.664 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cccc(F)c2)cn1 726114509 XCKKUGUNGQEIFS-OAQYLSRUSA-N 499.999 5.164 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C)cc2C)cn1 726117066 QPEIRCUWJZWPQL-DEOSSOPVSA-N 489.645 5.297 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1=S 726592359 YEAWQEQNPHJALB-IBGZPJMESA-N 494.024 5.203 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(C)cc2)c1C 727252274 CDIMDQRIZXQZCY-QHCPKHFHSA-N 493.608 5.128 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(Cl)cc1 728423168 POFFTQBYYSWWSS-AOMKIAJQSA-N 489.988 5.328 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCCCC#N)C2=O)cc1 728777957 ARVHRKUZFAMRQZ-XMMPIXPASA-N 490.629 5.228 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 729142331 KGCKQEZVUHULIC-NRFANRHFSA-N 496.633 5.875 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ncccc3C)C2=O)c1 729634510 NHADTTBBZUSRLX-QHCPKHFHSA-N 458.587 5.167 30 20 JKED COc1ccc([C@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](C)n2cccn2)cc1 729802055 FDPLLGRFBWYLIP-IQGLISFBSA-N 457.486 5.095 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730460820 GFYQFJRUOOTPIX-GOSISDBHSA-N 481.927 5.872 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730716337 VODUMKZYMYOEPD-NZQKXSOJSA-N 492.004 5.242 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(F)cc1 731062227 BQOMDITUZJSITC-QGZVFWFLSA-N 476.529 5.246 30 20 JKED Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)cc1 731069575 KTMOLHGYVYXJPP-QGZVFWFLSA-N 465.600 5.095 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)cc2)cc1 731161998 DAAUKDYVVCWVSP-UHFFFAOYSA-N 453.519 5.418 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)c1 731307191 FUXCWCVWMBXZCR-WZONZLPQSA-N 474.586 5.126 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)c(Cl)c1 731308647 OVPMZXVRSZKUBD-QKKBWIMNSA-N 498.967 5.301 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)c1 731309066 SIWQFSZKUXOIBN-HXUWFJFHSA-N 465.600 5.231 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1ccccc1)c1cccs1 731311510 DINJCPGWNCJOLR-SHZNUGFISA-N 479.627 5.086 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 744761324 GEGOBVWSBMFZQP-UHFFFAOYSA-N 494.621 5.358 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)-c2ccccc2C3)c2ccccc21 746633953 SWUOBIFEQBSLJJ-UHFFFAOYSA-N 476.532 5.515 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccccc1Cl 747112468 YKCOVOKJQRXCPT-AWEZNQCLSA-N 464.761 5.660 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1OCCCC#N 747472765 ABIYGJIVURZIJJ-HAHDFKILSA-N 460.580 5.937 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1cscn1 747601882 IUPBBPGNIHMARA-IBGZPJMESA-N 488.997 5.405 30 20 JKED C[C@H](OC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)C(=O)Nc1ccccc1C#N 769687859 BZJLATWITQWKIG-IBGZPJMESA-N 493.629 5.063 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799214079 GGYHHMPANRTJHN-HNNXBMFYSA-N 477.842 5.141 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837395836 VWOFAPRYBIQUOW-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)c1 838281100 TVEMSSYEDAHGIB-DEOSSOPVSA-N 496.652 5.221 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(C)C)cc1 914600535 ASJVMNXPYSAZLP-DEOSSOPVSA-N 479.646 5.147 30 20 JKED COc1cc(/C=C\C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCc1c(C)noc1C 915180089 LKJUUCZLJIDSCW-NWFGBRSYSA-N 493.563 6.186 30 20 JKED COc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1OCC(F)(F)F 915683875 LLJDHKJRMNFMAA-OAQYLSRUSA-N 469.463 5.613 30 20 JKED COC(=O)c1ccc2c(O)nc(/C(Cl)=C\c3cccc(OCc4cccc(C#N)c4)c3)nc2c1 915985263 SFNSVOXWGMUKKW-WSDLNYQXSA-N 471.900 5.310 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2F)c1 916204891 FIMKLAGKVXNVFS-QFIPXVFZSA-N 499.514 5.273 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1F 916212378 MBZMQLFLMCPHIS-HXUWFJFHSA-N 468.941 5.035 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 916212858 RVILDIYKRXCDFH-HSZRJFAPSA-N 477.561 5.303 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 916899640 KXQDQJYLHAGZFR-QAPCUYQASA-N 496.658 5.108 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 916913746 RNIHUYMBYOHSEF-SFHVURJKSA-N 457.477 5.661 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cnn1-c1ccc(Br)cc1 916915791 JUHYAMAIICAVPG-HXUWFJFHSA-N 473.330 5.058 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccccc2Br)cc1 916918317 LGHFXWCLGCPTBS-JOCHJYFZSA-N 499.364 6.142 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916929889 DHTFBZJZUKQCHE-XHPSBEMXSA-N 456.342 5.094 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 916950897 VJUMNDYSBQJIJV-QFIPXVFZSA-N 450.947 5.602 30 20 JKED CCCCCCn1nc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2c1=O 917025406 JDMWRRZMJYHVGH-OAQYLSRUSA-N 456.571 5.590 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2nc(C(F)(F)F)ccc12 917426039 FFSPVWYCWCRJGF-ZDUSSCGKSA-N 472.275 5.892 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CCc2ccc(Cl)s2)C1=O 917679517 NJCNCIMELMSDNC-AWEZNQCLSA-N 476.838 5.019 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cccc(C)n3)C2=O)c1 917680680 GJBBBKITJGRPQC-QFIPXVFZSA-N 495.004 5.213 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)cc1 917683083 RGNLRZBKDNFFSS-GIFXNVAJSA-N 490.673 5.199 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc2ccccc2c1 917700666 NKQRFACFMAFQER-HSZRJFAPSA-N 477.586 5.227 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cc1 918450612 UPUSAAWQNUTDDK-XNMGPUDCSA-N 493.538 5.356 30 20 JKED COc1cc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)ccc1NC(=O)OC(C)(C)C 918604542 OWYDDMFSUDVMCX-UHFFFAOYSA-N 454.552 5.160 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(F)c(F)c2)ccc1Cl 919862107 NBJNDEVGXDUNMY-UHFFFAOYSA-N 494.922 5.415 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 919893207 AQENXOVJHBIOPK-UHFFFAOYSA-N 457.530 6.187 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)C2)c1 920141187 MVXZRFASDAZRSC-GGAORHGYSA-N 468.582 5.027 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 920174507 BXNZTIHCKLVQTI-MZNJEOGPSA-N 488.588 5.431 30 20 JKED C[C@H](C#N)CN(C)Cn1nc(CSc2nc3ccccc3s2)n(-c2ccccc2)c1=S 921031194 ZCDNZNYWWOSEOA-MRXNPFEDSA-N 466.661 5.354 30 20 JKED C=CCn1c(-c2ccco2)nn(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1=S 921051283 OCGXROGVDXVIIG-UHFFFAOYSA-N 455.971 5.492 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(O)c(Cl)c1 921297507 FJUNHHVOQVRTDT-OAQYLSRUSA-N 456.926 5.513 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](c1ccccc1)[C@@H](C)CC)C2 1779510744 RYSROFFTRFZBHG-NNGOBPNTSA-N 468.682 5.323 30 20 JKED CC(C)(C)OC(=O)NCCCCCCC(=O)NC1(c2ccc(NC(=O)C#CC3CC3)cc2)CCC1 1786304825 YEJCGFRFJROFMW-UHFFFAOYSA-N 481.637 5.009 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc4[nH]nc(C(F)(F)F)c4c3)CCC2)cc1 1786679105 DBEZQILTLBWSRI-UHFFFAOYSA-N 488.535 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)C[C@@H]21 1788526375 IKGSLRDTPNZQMJ-LSGCGUROSA-N 472.629 5.024 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5ncccc5c4)cc3)CCC2)c(C#N)c1 1788908259 QFANITNORMIKMC-UHFFFAOYSA-N 490.563 5.105 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cnccc5[nH]4)cc3)CCC2)cc1C#N 1789360961 WLCOXIDQVXVOIN-UHFFFAOYSA-N 493.567 5.283 30 20 JKED CC(C)[C@@H](C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1)c1ccccc1 1789574172 WPBHXTWPYVHZRE-AYRFUNSJSA-N 457.574 5.272 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)c2n1 1790024904 IDBBSLHJKOUOIT-SFHVURJKSA-N 493.567 5.260 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5n[nH]cc5c4)CCC3)cc2)c1Cl 1790081632 HMXHNJURPWNPGR-UHFFFAOYSA-N 469.932 5.149 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)c2cc(O)ccc2n1 1790290411 XDHKTOPPWFALGS-UHFFFAOYSA-N 476.536 5.182 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1 1790345286 RAXLMFGNZCISIO-UHFFFAOYSA-N 499.958 5.158 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)cc2)CCC1 1790563776 RGLAKCKWYISVJO-LFYBBSHMSA-N 479.527 5.535 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc1 1790684953 FQLXGIUMEKZTAN-UHFFFAOYSA-N 456.546 5.125 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CCC1 1791186756 RVSUKSLWQFSCBE-UHFFFAOYSA-N 474.523 5.365 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791730249 UYNHUZJHLIZCCR-JOCHJYFZSA-N 495.664 5.351 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1 1792122059 AANSXVHYMGNGTI-HXUWFJFHSA-N 467.569 5.313 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccccn45)CCC3)cc2)c1 1792123873 SGISAPQOODREPY-LJQANCHMSA-N 463.541 5.023 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)cc2)CCC1 1792209555 HOYMJGMQVJMKDY-ZEQRLZLVSA-N 495.664 5.398 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)cc1 1796467685 FRCHHCVKOFZAET-KOUNCHBCSA-N 484.987 5.148 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c[nH]c3cc(Cl)ccc23)c1 1797444950 YBOHOLUWHJYGAW-HUJKARHJSA-N 460.965 5.014 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Br)ccc1Cl)C2 1798338156 UXBJXCRXICMHTJ-YRPNKDGESA-N 479.846 5.052 30 20 JKED Cc1ccc(S/C=C/C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(OC(C)C)c(C#N)c2)C3)cc1 1798391208 VBDBWHFEZIGAFM-DKXYMLQXSA-N 489.641 5.212 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)c1 1800685134 KDRVEMNTQZJROY-ACDBMABISA-N 482.515 5.004 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1802391210 CNNUHVMNBZHRQW-GCMXZSHTSA-N 486.660 5.054 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)C2)c1ccc(O)cc1 1802423998 HJJAPIJXGSMZQW-GVIJCZITSA-N 476.661 5.134 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(OC)ccc3o2)[C@H]1c1cccnc1 1802495880 GLLJQRHRDAKAOM-CPJSRVTESA-N 475.589 5.148 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2F)[C@H]1c1cccnc1 1802776370 ZEEYMQHOIJPUOY-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)Cc2ccccc2)[C@H]1c1cccnc1 1803021643 IVRTVLLEOORQRU-JIMJEQGWSA-N 459.634 5.125 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1803091222 YZCAMDGITNVWEL-KJMYBWGMSA-N 451.655 5.318 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@H](c3ccccc3)C(C)C)[C@@H]2c2cccnc2)c1 1803228294 VCRDKKNLRLQTBF-PKXQUSJVSA-N 480.612 5.021 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)CC2)C1 1804859597 CYESVAGRJFCSSS-BJKOFHAPSA-N 452.639 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3ccc(Cl)cc3)C2)CC1 1806716156 XULSPOWAWLLZFV-UHFFFAOYSA-N 473.057 5.499 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1808864010 LVOSXQUXXVUPAC-NYUJMHJJSA-N 498.583 5.102 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1809205074 CAGYCSUAAGUJJH-CPJSRVTESA-N 491.035 5.595 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810503582 QUWUEPOAXBNKGC-AVRDEDQJSA-N 491.529 5.552 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)CC1 1811734407 XSOAUVUXRRDCFS-MDJJAXGLSA-N 476.596 5.018 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)c1 1811935660 DKKSAQWYEZBDPM-PBFFPHGTSA-N 484.644 5.188 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c(C)cc2OC)[C@@H]1c1cccnc1 1812003039 HRKYCXZYMGOJFZ-RDGATRHJSA-N 463.622 5.019 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)[nH]n1 1814442344 KODRUHGTCRXACW-AWEZNQCLSA-N 469.533 5.183 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)[nH]n2)c1 1814739781 GCEQJZUADLMXSP-AREMUKBSSA-N 497.599 5.009 30 20 JKED O=C(Cc1ccc2ccccc2c1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1816824874 SKHAKMHLEHAZSN-OTOIZHKDSA-N 498.608 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)[nH]n1 1819306668 BUVALVTZXBCFHQ-PYUIJWENSA-N 462.619 5.058 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1819479936 YWPDUAXVNUHWCL-FOBKEZNCSA-N 497.555 5.220 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2csc(C(F)(F)F)n2)n[nH]1 1819934815 ASIFYGZNOWZLSH-HNNXBMFYSA-N 469.533 5.183 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ncccc23)n[nH]1 1820121247 PWUUKMKPLIIUNU-UQBPGWFLSA-N 494.599 5.538 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3c(F)c(F)ccc3c2)n[nH]1 1821550346 TZJSJKKLUPQLMY-NRFANRHFSA-N 479.531 5.310 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1821927524 CEAFCZWQBFKGPF-GUYCJALGSA-N 479.806 5.344 30 20 JKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)CC1 1822227561 QFIVFTSKUYSSHK-AZXNSQLWSA-N 461.610 5.559 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccoc23)[nH]n1)c1ccc(O)cc1 1822469055 DWJGHOVTWZJMMI-BWKNWUBXSA-N 496.567 5.365 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)n[nH]2)c1 1823298998 AHLXGRCHOMAABA-HXUWFJFHSA-N 485.441 5.059 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1823670840 GWZKRJXXKIPKEL-HSZRJFAPSA-N 499.442 5.126 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1823886434 DRPVYIRDKLYBIH-UIOOFZCWSA-N 493.598 5.668 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1824509729 FUDFJNUXANCHSX-HRAATJIYSA-N 486.962 5.183 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1Cl 1824537584 DKKDTBFNLQCLAU-FYYLOGMGSA-N 481.102 5.315 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1824542068 RUCHUXHSKGSGCW-AZUAARDMSA-N 475.457 5.320 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1 1824555006 SFRJPQTVNUWJTJ-XMMPIXPASA-N 479.665 5.017 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824961607 SCAXKPDRKUOGQG-XMMPIXPASA-N 476.642 5.739 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)sc2c1 1826203379 RIEPDLJKLRUXRM-XMMPIXPASA-N 486.641 5.218 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1827379709 DRUYDOJSWSHEDN-HHHXNRCGSA-N 482.628 5.267 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c(C)c1 1827683612 FYLPKFVKTYUKFC-JJNABOQBSA-N 494.657 5.046 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cscc2OC)CC1)c1ccccc1 1827912370 UZDCDYRXNAOYQK-NOZRDPDXSA-N 478.658 5.187 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)cc1C#N 1828412853 HXUFHAFOQPJNRA-XMMPIXPASA-N 483.628 5.251 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1828744877 MCKRJZBFJJTLHE-RUZDIDTESA-N 489.019 5.549 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sc(C)cc3[nH]2)CC1 1828832092 YVAZNIDNDARZCZ-NFBKMPQASA-N 453.652 5.540 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828903576 JDLPBDLELYGBRJ-SANMLTNESA-N 483.773 5.235 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccoc3c2)CC1)c1ccccc1 1829032136 DTBOXPRGSMBNBZ-XNMGPUDCSA-N 483.612 5.258 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1829035319 PCTIMKSOBLLFTL-VMPREFPWSA-N 499.655 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1829068357 RISCZHJMXDPQPS-SQJMNOBHSA-N 454.655 5.411 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2Cl)CC1)c1ccccc1 1829217171 XDMZJBSHHCGJKA-BVAGGSTKSA-N 478.036 5.166 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829582194 MEEWJXJXJGYVOI-DENIHFKCSA-N 494.661 5.188 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1 1829900739 OVVYKWGODJQYDW-HOYKHHGWSA-N 481.999 5.653 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC=C(C)C)CC1)NC(=O)OC(C)(C)C 1830258862 KLLSMKOQTOUVNL-RPWUZVMVSA-N 489.701 5.212 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1830416940 UZTHLQUKKUZUKJ-HYFWNAGYSA-N 459.675 5.014 30 20 JKED Cc1nc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)ccc2s1 1830628001 BRYFISUKSQOBNJ-RUZDIDTESA-N 486.641 5.218 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1830741878 JHPJYPQBZVYAQW-UGKGYDQZSA-N 492.582 5.504 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c1 1830990978 OKZXSJNABXVZJT-VWLOTQADSA-N 455.558 5.160 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831310083 DSWZFGFMYDTEHR-IBGZPJMESA-N 496.467 5.349 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 1831367264 GOIGBPMIGRWPEE-IERDGZPVSA-N 465.407 5.034 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1831948578 PDFVVJLRRJEIIJ-QHCPKHFHSA-N 491.047 5.418 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)c1 1832630840 NUGWCDASRZXKGE-BCHFMIIMSA-N 479.571 5.068 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2c1 1832632730 UWRJQVOYWNOUDK-NGOKVRLYSA-N 498.627 5.351 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccoc4cn3)CC2)c1 1832634392 QZJMIZFILNPOSK-DFBJGRDBSA-N 470.573 5.002 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1832669831 AXEYNAYSIKAYCY-SANMLTNESA-N 494.035 5.086 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832995882 BQQKFCRNTZDNMJ-FIPFOOKPSA-N 476.661 5.292 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)CC1 1836696381 KCIGOONHEYULFD-UHFFFAOYSA-N 487.644 5.129 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC12CN(C(=O)c1ccc(OC(C)C)c(C#N)c1)C2 1845535255 IXOBVNWURGTUGI-UHFFFAOYSA-N 486.399 5.092 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)c(Cl)c1 1845569734 DDOSMBXJOGAAQU-UHFFFAOYSA-N 491.925 5.288 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2scc(-c3ccccc3)c2c1=O 9041475 AKNJJKNJMMIRAE-UHFFFAOYSA-N 477.611 5.359 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172790 RUGYHJSTYWBOMN-UHFFFAOYSA-O 469.577 6.114 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@H](C)C(=O)Nc1ccccc1C#N 10303301 QNIZUGFCLBEZLR-MRXNPFEDSA-N 484.025 5.863 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2sc(-c3ccccc3)cc2c1=O 17652990 QHYVIYUDCOSVSK-AWEZNQCLSA-N 478.624 6.276 30 20 JKED C=CCn1c(SCc2c(C)nn(-c3ccccc3)c2Cl)nnc1-c1ccccc1OC 19316699 MILQHZOJUSDACW-UHFFFAOYSA-N 451.983 5.580 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 21459810 ZEQHNPPFVBFFAF-UHFFFAOYSA-N 467.353 5.220 30 20 JKED C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccccc1 21678964 RKJIEEQFTJLQHE-CYBMUJFWSA-N 458.358 5.216 30 20 JKED Cc1cccc(COc2cccc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCCCN4)cc3)c2)c1 25437897 LNACUTGUWNFKJV-UHFFFAOYSA-N 491.613 5.077 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nnc1-c1ccco1 29549955 XOLVFOQPOLYBIZ-UHFFFAOYSA-N 454.571 5.317 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2cc(C(=O)NC3CC3)c3ccccc3n2)n(C2CCCC2)c1C 31783063 QOLSCIFSNWPRIN-UHFFFAOYSA-N 487.629 5.263 30 20 JKED CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(OCc2ccccc2C#N)cc1 32146286 ZURJAZDWEXRMPA-UHFFFAOYSA-N 481.474 5.045 30 20 JKED C=CCn1c(SCc2nc(CC)no2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 45842931 DXUAJGDHVFUUPS-UHFFFAOYSA-N 468.586 5.892 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccccc3SCCC#N)c3cnn(C(C)C)c3n2)c(C)o1 78668842 QFZZFGBPDRBRQS-UHFFFAOYSA-N 459.575 6.147 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 106081022 WYFMPYNXLLYCIT-AWEZNQCLSA-N 473.360 5.549 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 106116715 XCHPPZFYMJZPTI-UHFFFAOYSA-N 462.534 6.329 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 302956557 FOEJRZLCPPCNGD-UHFFFAOYSA-N 488.385 5.710 30 20 JKED Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)nnn1-c1ccc(F)c(Cl)c1 303364383 ICXUPRUUHOJDPG-UHFFFAOYSA-N 461.884 5.071 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCc2ccccc21 484801355 YYXAIURNBZKMDJ-AREMUKBSSA-N 453.542 5.002 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 491218138 OFGMUYUMYSOETP-GOSISDBHSA-N 492.442 5.728 30 20 JKED CC1CCN(c2ccc(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cn2)CC1 499600744 QUHUTOUBYZXCJA-UHFFFAOYSA-N 469.589 5.285 30 20 JKED C[C@H](NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1c(F)cccc1F 503164384 HCAUATRUENKODS-QMMMGPOBSA-N 498.761 5.728 30 20 JKED CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 509587311 VMEQVJSPMQTNGD-HXUWFJFHSA-N 467.598 5.508 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1Cl 510023899 QBDGBGQSNVWSOK-QHCPKHFHSA-N 464.997 5.252 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 510859287 IZAHQMQCXOPTSK-UHFFFAOYSA-N 483.547 6.285 30 20 JKED C=CCN(C(=O)c1cc(C)nc2c1cnn2C(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 514740525 RNMIKMLTLSZLES-UHFFFAOYSA-N 486.428 6.584 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccc(F)cc1 514985474 HGCLLIUXACGPHS-NRFANRHFSA-N 452.555 5.228 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cn5ccccc5n4)c3)n2)cc1 516270451 ZDOSQIIMIBSAGJ-QHCPKHFHSA-N 480.549 5.535 30 20 JKED C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 517119859 WTYMYPAAMNWXTM-GOSISDBHSA-N 461.949 5.143 30 20 JKED C[C@@H](c1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1-c1ccc(F)cc1)N(C)C 517447918 WYFXYWUKVKFBLZ-SJORKVTESA-N 498.653 5.154 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3ccccc3SCCC#N)cc2Br)on1 518648600 UDKKUPKUQRXIHQ-UHFFFAOYSA-N 472.364 5.583 30 20 JKED COCc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)sc2cccc(F)c12 519127509 DDBRCSDAFACMNK-QFIPXVFZSA-N 460.530 5.760 30 20 JKED CN(C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C1(C#N)CCC1 520690847 VPCNUBWWASYJAS-UHFFFAOYSA-N 458.509 5.100 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccccc1SC[C@H](C)C#N 520856493 HNZCLIHKQHZPRJ-CQSZACIVSA-N 475.412 5.160 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cccs2)cc1 520936203 UVRDIFBXLAFSOH-MHECFPHRSA-N 477.655 6.110 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCOCC1 521808630 KQZPHOZQJWSPCH-IBGZPJMESA-N 453.608 5.268 30 20 JKED CC(C)[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 522613934 IIXCLPKDHMRWAQ-JOCHJYFZSA-N 472.511 5.334 30 20 JKED CCN(CC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C 523028700 IZFGQXDRPBKCDA-UHFFFAOYSA-N 460.390 5.014 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 523622481 IXISYBNKWMOLGC-JOCHJYFZSA-N 474.561 5.026 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)s2)cc1 524327822 GHWZNSULYDRVDZ-GJZGRUSLSA-N 461.399 5.751 30 20 JKED COc1ccc(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 588196118 ALLHZBLHXUNKSF-QWRGUYRKSA-N 466.344 5.423 30 20 JKED N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2nc3ccccc3s2)sc2c1CCCCC2 603782530 AXJHNWNBWLJVNE-LJQANCHMSA-N 450.633 5.664 30 20 JKED CCOc1ccccc1[C@H](CC)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 603908576 ZYJOBHOWSZOAMU-QHCPKHFHSA-N 498.608 5.016 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 604011031 UIWAXLZCCJIROW-UHFFFAOYSA-N 477.483 5.053 30 20 JKED COc1cc(-c2noc(CCC(=O)Nc3sc(-c4ccccc4)cc3C#N)n2)cc(Cl)c1OC 604116809 CVEUNNIROLJZCW-UHFFFAOYSA-N 494.960 5.579 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 604126747 UYCBLCJRYHYJBC-DEOSSOPVSA-N 490.604 5.286 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(OC)cc1 604360925 WBFPOZTYVXIXNK-XMMPIXPASA-N 459.502 5.094 30 20 JKED COc1ccccc1C(C)(C)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 604487323 JQALOIYGSDPDNI-UHFFFAOYSA-N 473.598 5.005 30 20 JKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 608877323 APTKLUIYXGXWPY-UHFFFAOYSA-N 483.515 5.703 30 20 JKED Cc1sc(NC(=O)c2cc(I)cc(C(F)(F)F)c2)c(C#N)c1C 609054310 BTTVIVFDCYPIJN-UHFFFAOYSA-N 450.223 5.112 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc(F)cc1Br 609061732 HGFSHAPGIARQHJ-UHFFFAOYSA-N 469.310 5.365 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1NC(=O)c1ccccc1 613319782 KZPDOQKJJGLXRP-OAQYLSRUSA-N 471.969 6.514 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccccc2)cs1 613392553 UJRFNNYQAHWRKX-JOCHJYFZSA-N 463.518 5.096 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nc2cc(C(F)(F)F)ccc2s1 613404681 PJPDJDWRRKKQSO-MRXNPFEDSA-N 452.461 5.480 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c12 613407483 UVAJBQZDJJAQKL-MRXNPFEDSA-N 463.994 6.125 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1Sc1ccc([N+](=O)[O-])cc1C#N 619674938 LDBYBSHXHFJWRG-UHFFFAOYSA-N 457.943 5.803 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)n2)cc1 619756469 UVPVMELQJKAILB-KRWDZBQOSA-N 451.935 5.089 30 20 JKED O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620347418 MIVFDFUODWHYDO-BETUJISGSA-N 488.354 5.163 30 20 JKED C=CCn1c(SCC(=O)N(CC)CCC(F)(F)F)nnc1-c1ccc(Cl)cc1Cl 623061187 WCXOLPCBUSWFMU-UHFFFAOYSA-N 467.344 5.331 30 20 JKED O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OC(F)F)c(Cl)c1 642333128 APPSRAOHNGLCQG-HTQZYQBOSA-N 475.785 5.129 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2c1C(F)(F)F 645092496 ZSCRJWFSKNYLLH-UHFFFAOYSA-N 452.276 6.544 30 20 JKED Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 726080300 OULGLCSTRBNBJB-UHFFFAOYSA-N 465.579 5.359 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1C 726403270 ZPMRKLBPKUCPCG-OFNKIYASSA-N 467.635 5.306 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)c1 726412650 PQQSVEMLHVKFAI-FQEVSTJZSA-N 473.520 5.303 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(C2CCCC2)C1=O 726417122 YKIQSZABEAFHBU-BQHXCAKQSA-N 485.631 5.087 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@@H](C)c1cccs1 726421427 MZWIUYWTFITQCT-CITQPITHSA-N 467.538 5.343 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(C3CCCC3)C2=O)cc1 726422700 YICJZWUMGVOTAR-OVRHBKGWSA-N 469.632 5.283 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](Cc1ccccc1)c1ccc(Br)cc1 727960618 AJZHDJSYPXVJAK-XMMPIXPASA-N 480.406 5.636 30 20 JKED N#Cc1cccc(COc2ccc(NCc3nc(O)c4ccc(C(F)(F)F)cc4n3)cc2Cl)c1 728052412 FSIROMPEORZOGW-UHFFFAOYSA-N 484.865 6.070 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 728230698 FRDPLALOFZXMLA-DAXSKMNVSA-N 491.496 5.349 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)cs1 728442061 VCHUMSZGTOGKBS-XFXZXTDPSA-N 498.004 6.948 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCCCC#N)C2=O)c1 728776801 FSNRQWZTRLVFDR-HSZRJFAPSA-N 462.619 5.574 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776982 CXBFGRPAYIMBCX-QVAVMFBNSA-N 499.618 5.048 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 728804396 XRASDGVWVXJLIN-UHFFFAOYSA-N 465.724 5.450 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1scnc1C 729144072 UNPCSSKPCAPTLL-LJQANCHMSA-N 482.606 5.368 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)nc2)c1 729173369 JDXXOOQLTQEWIO-UHFFFAOYSA-N 462.358 5.022 30 20 JKED CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 729558897 DWGQQHBKMADGDT-HSZRJFAPSA-N 478.593 5.195 30 20 JKED N#C[C@@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc(-c2c(F)cccc2F)cs1 729895349 YPOQZVJEUIKMRM-NSHDSACASA-N 462.403 5.333 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c1 730444795 PKABBNDRBPOWSN-QHCPKHFHSA-N 494.592 5.250 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc(-c2cccc(F)c2)n1 731063714 MHSBCXWLRBCHPT-OAHLLOKOSA-N 469.563 5.068 30 20 JKED C#CCOc1cccc(NC(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)c1 731109682 WUNYZGKASHVABC-DEOSSOPVSA-N 469.541 5.151 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)nc1C 731225252 VBELOKUKNUOMHM-UHFFFAOYSA-N 499.625 5.356 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731303861 CIPFKZQRHLVGGE-XMMPIXPASA-N 491.613 5.322 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)ccc2F)cc1 731312185 IXYXJZVBTYDQGX-HSZRJFAPSA-N 493.560 5.009 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C#N)c(Cl)c1 731315599 IWHNMXYDIDYMDY-OAQYLSRUSA-N 485.009 5.314 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)C2CCCCC2)cc1OC 747003898 ULWXHUVILJFRNL-XYOKQWHBSA-N 457.954 5.537 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1 748987564 ASUFRVLWOUPDFA-DNQXCXABSA-N 476.374 5.710 30 20 JKED N#CCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)c1 751090152 YLQJOQRYNGJSRM-BYXVTNLJSA-N 453.542 5.154 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CC(F)(F)F)C2=O)cc1Cl 799211172 JEZYBWIFQVIDIH-MRXNPFEDSA-N 489.878 5.010 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2F)C1=O)Nc1ccccc1F 837519427 UHNKQKYWORMBJF-OAQYLSRUSA-N 451.498 5.125 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 837669007 ZIIIGXGNUBUSDK-SQJMNOBHSA-N 486.641 6.037 30 20 JKED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)C1=O 879508759 UDHJVFGNKDTOGT-HHHXNRCGSA-N 489.576 5.028 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cccc(O)c2)ccc1Cl 912947156 XWJKBGZFJUNEOE-UHFFFAOYSA-N 477.369 5.333 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 915086409 KHWYKOZCINTHOP-HSZRJFAPSA-N 482.005 5.278 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(NC(=O)Cc4cccs4)n3)n2)cc1 915100049 KVIINKNYWRFUBR-SFHVURJKSA-N 478.624 5.237 30 20 JKED COc1ccc(C(=O)NCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 915102380 RKWSWLMFRMFKGG-SFHVURJKSA-N 488.396 5.512 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2c(Cl)c3ccccc3n2C)n(C2CCCC2)c1C 915463197 ZCFBGVQJCMWXPE-UHFFFAOYSA-N 452.942 5.032 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1coc(-c2ccc(Cl)cc2)n1 915467490 SZNHGBQLLKHTNC-UHFFFAOYSA-N 491.725 5.150 30 20 JKED CCO[C@@H](C)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 915505864 TUNPJABHBLZGRX-YHWKNFMLSA-N 468.575 5.206 30 20 JKED N#Cc1ccc(CSCC(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cc1 915811606 ZKEFDNKZRCFBSF-UHFFFAOYSA-N 481.371 5.412 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2nc(C)cs2)c1 915873814 CXXJYHQKHQHRSC-UHFFFAOYSA-N 496.441 5.416 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccccc2)C1=O 916204750 AXAYLIDQCLLSHI-QHCPKHFHSA-N 459.571 5.164 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3ccccn3)C2=O)cc1 916206253 PAFUOUXLYCHREU-JOCHJYFZSA-N 479.005 5.512 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cccc(C)c1 916206821 SQHLQLRRQKNNLH-QHCPKHFHSA-N 461.587 5.145 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O 916210283 ZIYWSKHTQWZUGG-HXUWFJFHSA-N 475.973 5.391 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCc3ccccn3)C2=O)cc1 916211550 DDOGJIPHXQYMDC-JOCHJYFZSA-N 479.005 5.246 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(Cl)c1 916214682 QTTSNRFQVFTNLU-INIZCTEOSA-N 486.808 5.254 30 20 JKED CCOc1cccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1OC(F)F 916283500 DOEUJGUZUXBFAP-UHFFFAOYSA-N 455.486 5.316 30 20 JKED Cc1nc2ccccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 916293113 YTJDPTSDVPQVBR-UHFFFAOYSA-N 484.357 5.202 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc(O)c2c3c(sc2n1)CCCC3 916848018 YIBLPWJRILEKDK-SFTDATJTSA-N 495.560 5.220 30 20 JKED COc1ccc2cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)ccc2c1 916887681 PVNSYQSRCQIPRQ-BKEPZNJQSA-N 452.482 5.524 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)C(=O)Nc2cccc(OC)c2)cc1 916895074 WPTMWVURPAPUPI-XMMPIXPASA-N 467.525 5.132 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc1OC 916900482 PKWBRFORBOXVTJ-SFHVURJKSA-N 487.394 5.332 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916909608 PXNAITDRCRANBS-HXUWFJFHSA-N 487.968 6.525 30 20 JKED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 916966263 QRTLKFWSVGYMHA-MRXNPFEDSA-N 473.337 5.454 30 20 JKED N#C[C@@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1nc2ccccc2n1C(F)F 917039759 CSFUPERXDOXJHU-KRWDZBQOSA-N 470.273 5.602 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(Cc2ccc(F)cc2F)C2CC2)c1=S 917476751 BCYDIVPGBHMMQS-QFIPXVFZSA-N 470.545 5.013 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccoc2)ccc1Cl 918395776 TZIKHVAANNEPKC-UHFFFAOYSA-N 479.385 5.240 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2c1C 920106660 VVLUZBNDKPHSOC-AWEZNQCLSA-N 495.655 5.256 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSc3ncnc4sc(C)c(C)c34)n2)cc1 920110527 NNTYYWMGNLMRMZ-KRWDZBQOSA-N 464.641 6.099 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920323283 HTOQBODDRDHPKK-GHTZIAJQSA-N 484.408 5.527 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1cc(C)on1 920358284 ZVRTZJTYDDVNMO-QFIPXVFZSA-N 497.020 5.668 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920632317 LSEFNKNOLYQGOH-UHFFFAOYSA-N 475.295 5.109 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CC2CCC2)C1=O)Nc1ccccc1C(F)(F)F 920927477 NWQBFORNBCXNHA-IBGZPJMESA-N 479.499 5.605 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4c(ncn4-c4ccccc4)C3)cc2Cl)c1 929076990 AMSRVDBRHVPSKZ-UHFFFAOYSA-N 483.959 5.567 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]c3c(Cl)cccc3c2C)C1 1777939760 OAPIULGPPZYAPC-QNXIHNPRSA-N 484.040 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3ccc(C)cc3s2)C1 1781363422 DEDBOMSIWKMVFN-YIXXDRMTSA-N 468.663 5.330 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccccc3)cc2)C1 1783040749 AOWMRCFBVIYDPP-YCVRVPNXSA-N 472.629 5.250 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785809128 SVVHSXYIGCRLJY-QFIPXVFZSA-N 469.626 5.026 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)C#Cc4ccc(Cl)cc4)cc3)CCC2)c(C)n1 1786041989 YSCRRPUCJYDVFH-UHFFFAOYSA-N 457.961 5.151 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CCCCNC(=O)OC(C)(C)C)CCC2)cc1 1786102639 RXGCQKSZGNDCIC-UHFFFAOYSA-N 483.653 5.584 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786175965 LQXZSXGAWSNUDO-PMACEKPBSA-N 456.558 5.122 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789116412 TVXPCASEPXRBOT-BUHFOSPRSA-N 472.541 5.090 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCN3Cc4ccccc4C3=O)cc2)CCC1 1789147421 NKHDIKPDENVXTC-UHFFFAOYSA-N 473.617 5.159 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)[C@@]5(F)CCCCC5(F)F)cc4)CCC3)c2c1 1789166190 KDOQUFMVQZGVAC-VWLOTQADSA-N 495.505 5.100 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)[nH]4)cc3)CCC2)cc1 1789674388 XRCHKSRCOINVTD-UHFFFAOYSA-N 466.463 5.161 30 20 JKED Cn1cc2cc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5Cl)cc4)CCC3)ccc2n1 1790083080 ZZBDKMHNOKSMIB-UHFFFAOYSA-N 483.959 5.160 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)on4)CCC3)cc2)cc1 1790286940 PWGRRZBFAJOBAP-UHFFFAOYSA-N 462.509 5.275 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C34CC(c5ccccc5)(C3)C4)CCC2)cc1 1790570001 YDRJAJUEINSODO-FUNONRDXSA-N 459.590 5.043 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccc(F)cc34)CCC2)cc1 1790570031 PMGHNIAWCXENAO-SFHVURJKSA-N 478.568 5.175 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCC1 1790650125 IJKPCPPYMRKKSV-HNNXBMFYSA-N 479.474 5.393 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ncccc45)CCC3)cc2)c1 1790795357 CBBCBIDOCNQESK-UHFFFAOYSA-N 477.568 5.124 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(Br)c4)CCC3)cc2)c1 1790795853 BXHYKXBBIGQHCU-UHFFFAOYSA-N 489.373 5.086 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4nc5ccccc5o4)cc3)CCC2)c1 1790852114 ZFZOFDZFZJDKBI-UHFFFAOYSA-N 450.498 5.069 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)CC5)cc3)CCC2)c1 1790886338 XSGHHFHBFXAFRW-IBGZPJMESA-N 477.564 5.504 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3cccnc3)CCC2)cc1)c1ccc(O)cc1 1791642392 INDWRPCYVDJSOX-DEOSSOPVSA-N 481.596 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4F)CCC3)cc2)c1 1792126910 OJDIROUOZOFSFW-IBGZPJMESA-N 471.532 5.279 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cccc(Br)c4F)CCC3)cc2)CCC1 1792233544 OYUJUBLFWLRZRS-UHFFFAOYSA-N 470.342 5.030 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC3CCC3)cc2)CCC1 1792271456 AUJINLODQADNFX-JOCHJYFZSA-N 469.626 5.170 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1)C2 1798337870 JUZIMDCSTSXZFN-FUIJPYTFSA-N 485.672 5.266 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3occc3n2-c2ccccc2)c1 1799113213 DQFSAMKATGQQPE-FHTJMNSISA-N 492.579 5.416 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)c(OCC)c(Cl)c1 1800590204 LHMOQLAIPNCIJH-BCDXTJNWSA-N 450.982 5.122 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)c1 1801080803 OJIVUGJXTJHPHC-NUNAXRQHSA-N 478.552 5.174 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C)C2 1801643863 SCLCQRZXAHDFAH-AYWYSENESA-N 469.626 5.114 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cc3cccnc3cc2F)[C@@H]1c1cccnc1 1802500775 OQDWWJXSTZSGSS-AJTFRIOCSA-N 488.607 5.010 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@@H]1c1cccnc1 1803083370 BTFOKCZJVPMCRE-LEAFIULHSA-N 480.612 5.232 30 20 JKED Cc1cc2cccc(C(=O)N3CCC4(CCCN(C(=O)C#Cc5ccc(Cl)cc5)C4)CC3)c2[nH]1 1805333499 URVMIXSEFNRFBY-UHFFFAOYSA-N 474.004 5.026 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)C2)CC1 1805610282 IBDKAYNBTKTSRQ-FCHUYYIVSA-N 456.577 5.068 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1805683152 VWZUCABTFSJVFB-ZJSXRUAMSA-N 465.638 5.593 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1806577226 MXOXUSZOBQBSJC-HOFKKMOUSA-N 496.127 5.035 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc3ccccc3c2)[C@H]1c1cccnc1 1807891760 HPZYXYSGYSXKNH-ABYGYWHVSA-N 476.580 5.193 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1810415400 QZLNHIRFMJSBTO-GDCSJXSZSA-N 482.584 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2F)[C@H]1c1cccnc1 1810492246 LDJAPJYXDDUSIL-CTCXMXBXSA-N 467.560 5.071 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1812584917 SXLSXEQZICPLNP-JTJYXVOQSA-N 487.566 5.341 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]1c1cccnc1 1812807748 RBTHYDYYNAIHGY-DGWZTRNLSA-N 453.671 5.852 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1 1812809473 QUDWOJMNDXKECS-BKMJKUGQSA-N 478.612 5.409 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(F)cc2)[C@@H]1c1cccnc1)c1ccccc1 1812896432 BYEBBYIKUUSRLE-DNCXPJJSSA-N 497.614 5.057 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1812903465 IFZRCAXPQRYQRA-HWZPKBPFSA-N 479.024 5.143 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1812955483 ARBKGJNYLLCSBE-BHBYDHKZSA-N 491.676 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1813964490 PUAUJWJTPQPMFV-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813972463 FGZGTIQGYZQHIL-IFXJQAMLSA-N 486.321 5.059 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2Cl)[nH]n1 1814824217 PSLSIMPRZBCLTG-NRFANRHFSA-N 458.965 5.205 30 20 JKED CC(F)(F)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1815337408 LMKCECTTZUROQN-QGZVFWFLSA-N 497.468 5.287 30 20 JKED Cc1csc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)c1 1815379055 FHVIKAGJGKDWSQ-GOSISDBHSA-N 487.507 5.290 30 20 JKED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3cccc(Br)c3)cc2)[nH]n1 1816746779 LVNIKZYEBYTJNB-NRFANRHFSA-N 492.377 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3sc(-c4ccccn4)nc3C)sc2C1 1817400591 VRUHCZWUKQCDKZ-INIZCTEOSA-N 495.674 5.188 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)n[nH]2)C1 1818970390 PSJLDDRURXWFOM-QFIPXVFZSA-N 463.969 5.192 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)nc3ccc(O)cc23)n[nH]1 1819004940 DZZQMNNBORLXLY-HSZRJFAPSA-N 475.593 5.270 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(F)ccc3s2)n[nH]1 1819076425 ANMNCIIJGAVLNX-IBGZPJMESA-N 470.570 5.052 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)[nH]n1 1819305622 MBJZBFSQZCDUAU-NQIIRXRSSA-N 463.607 5.402 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386956 QVSJIZHXTAZMCT-JOCHJYFZSA-N 496.732 5.107 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819968189 XRSNOBJDLVANBI-OAHLLOKOSA-N 453.395 5.278 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)c1Cl 1820562131 NYGVHYNMACJDGL-IBGZPJMESA-N 468.344 5.208 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2)c1 1821273490 MGEBBPYJKLAJEU-HXUWFJFHSA-N 486.334 5.347 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)[nH]n2)c1 1821275362 HQRLIAIUWXJVEB-MSYCTHLASA-N 491.954 5.183 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)Sc3ccccc3)[nH]n2)c1 1821321274 DQRZGGCPLQLEIC-JPYJTQIMSA-N 473.602 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3c(Cl)cccc23)n[nH]1 1821395289 KZHIYHUHZDOCJM-GOSISDBHSA-N 468.989 5.238 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)[nH]n1 1821987869 WBXGTFRVYSEYKV-IBGZPJMESA-N 473.911 5.129 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1821987963 YFHXWLVPJJCZBO-MRXNPFEDSA-N 474.405 5.085 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1)C(F)(F)F 1821992345 ZFNRIEZQKVQXQJ-OAQYLSRUSA-N 483.494 5.205 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)cc(C(F)(F)F)c1 1822022060 KEOOLODQSIFXMF-VIRVFLBCSA-N 499.537 5.432 30 20 JKED Cc1ccccc1CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1822058613 DPEXKYVMUCYFQR-NLFFAJNJSA-N 469.589 5.284 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc(F)c(F)c(F)c2)n[nH]1 1822284028 LAOGQKJNAXXJOU-VKQWELSQSA-N 472.511 5.301 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)c(Cl)c1 1823186991 ULRWAEKTUYZCKN-NRFANRHFSA-N 465.916 5.002 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)n[nH]1 1823347252 XIXNCRGEYIMBHG-IRLDBZIGSA-N 499.656 5.030 30 20 JKED CC1=CC[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)sc3C2)CC1 1823746331 INVOTSWJIWCUQE-CRAIPNDOSA-N 488.535 5.006 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1823886120 RXPXPLGLOUYDGU-QHCPKHFHSA-N 496.449 5.385 30 20 JKED Cc1ccc(CSCCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1 1824545174 UYXHZYODCZCXEZ-NOZRDPDXSA-N 476.752 5.192 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1825786153 KZKNAUHKDKWULP-HSZRJFAPSA-N 479.646 5.263 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)ncc2F)CC1 1827849676 PMNPPIAVEATDLB-FQEVSTJZSA-N 494.449 5.209 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828163334 DNSAUGUUQALCID-GMAHTHKFSA-N 474.070 5.076 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1828829639 FXEHCJVLLWYTCW-NVQXNPDNSA-N 480.052 5.890 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829009434 NAUGXCONCZMWDG-DYHBGCKMSA-N 480.008 5.450 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1830109646 QOJMTYXKGSNVNA-RUZDIDTESA-N 494.035 5.086 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1830417768 HRBBLEITJWOOSC-FDDCHVKYSA-N 496.479 5.347 30 20 JKED COc1cc(C)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723444 IXSFWJAOEHSUAN-XMMPIXPASA-N 480.008 5.076 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1831375198 PRWLFISHTHGNMA-HYBUGGRVSA-N 473.617 5.873 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)nc3F)CC2)c1 1832635242 XXWVLLBVXKGCBU-HTAPYJJXSA-N 482.987 5.048 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)CC2)cc1 1832991944 VPCXURQSSSOCCQ-OCHSWLLGSA-N 481.640 5.108 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3c(F)cc(Cl)cc3Cl)CC2)CC1 1833078940 IBTVJSVCVJZDCT-UHFFFAOYSA-N 498.470 5.310 30 20 JKED C#CCCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(-c3cccc(Br)c3)cc2)C1 1845561329 JDGOEFZGLYJSNS-UHFFFAOYSA-N 479.418 5.127 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1Oc1cccc2ccccc12 1847825707 GQJPVRKNHZKGBG-FXSPECFOSA-N 474.626 5.402 30 20 JKED CC(=O)Nc1ccc2c(COC(=O)c3ccccc3Sc3ccccc3C#N)cc(=O)oc2c1 3307488 YDNCIORLUZCFMN-UHFFFAOYSA-N 470.506 5.131 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(CC)c2)[n+]2ccc(CC)cc2)c1C 10174874 XFBZUNJQPQJKRD-UHFFFAOYSA-O 478.638 5.271 30 20 JKED Cc1sc2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)n(C(C)C)c(=O)c2c1C 10286688 RYAGWJNQHALRND-UHFFFAOYSA-N 497.690 5.792 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1C#N 10711545 IBKOOJUEUUINNL-SECBINFHSA-N 484.792 5.697 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)C(=O)Nc1ccccc1C#N 11063754 WERULNOBJDTCHD-INIZCTEOSA-N 474.973 5.089 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1ccc(SC(F)F)cc1 11113113 UNRZXNCJPWIPMS-UHFFFAOYSA-O 478.009 6.556 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1ccc(C)c(C)c1 11160524 UCTMJYMGOVZEHW-UHFFFAOYSA-O 468.440 5.967 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(Cl)cc1Cl 12814507 IDFQMLDLJKUUJO-UHFFFAOYSA-N 454.408 5.242 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)cc2C)c1 14785999 QRGZUIQYZXIQRU-UHFFFAOYSA-N 488.968 5.430 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cs1)c1ccc(F)cc1F 15188232 ZPNHDUVBOKINLL-WEVVVXLNSA-N 450.413 5.603 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2Br)n(C2CCCCC2)c1C 16579035 CODSLEPMFHOSJK-UHFFFAOYSA-N 458.356 5.040 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 20990589 GEFVMEURCQXGTQ-CYBMUJFWSA-N 481.380 5.608 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 20990635 MPIQZFNWLHOAJX-QGZVFWFLSA-N 468.598 5.599 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 20992264 RJWALGNRIRSAQH-ZDUSSCGKSA-N 463.390 5.566 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccccc1 21280673 CMHBVYXQLVVDRI-UHFFFAOYSA-N 462.575 5.294 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1cc(Cl)cc(Cl)c1 22733166 TXGFTQCRNWXPOP-UHFFFAOYSA-O 489.404 6.111 30 20 JKED O=C(/C(=C(/S)NCCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 22734955 QQVIAQPOUKYDRJ-UHFFFAOYSA-O 496.612 5.244 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2sc(-c3ccccc3)cc2c1=O 23631999 UFEJFJVTZJJDDN-HNNXBMFYSA-N 472.595 5.401 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccs4)o3)c2C#N)C1 23643099 CNONYTRSVRFCIE-CYBMUJFWSA-N 472.661 6.003 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1csc(-c2cccc(F)c2)n1 24049159 HKENEHMFIYZQII-UHFFFAOYSA-N 461.312 5.130 30 20 JKED C=CCn1c(SCc2csc(-c3ccco3)n2)nnc1-c1ccc(Br)cc1 25353023 MTOWANNCJFUEAM-UHFFFAOYSA-N 459.394 5.902 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1cccc(Cl)c1 26011881 QKMCFPSXCFZXQF-GOSISDBHSA-N 480.018 5.710 30 20 JKED C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)c1ccc(C#N)cc1 26114210 XGRXLOHIYGEMFZ-INIZCTEOSA-N 475.524 5.054 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 28811084 OFDGXTJQYZAKNR-UHFFFAOYSA-O 466.558 5.642 30 20 JKED Cc1nc(SCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c(C#N)c(C)c1C 29894305 FSXAONAQVMXJGR-UHFFFAOYSA-N 469.998 5.111 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc2oc(C(C)C)nc2c1 31378622 FIZPEOHWBGGTCZ-UHFFFAOYSA-N 458.312 5.002 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cc1ccccc1 32789245 DUQXYANFMWUCQC-UHFFFAOYSA-N 454.599 5.377 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1 109968217 VGUZZVATVPJTFK-UHFFFAOYSA-N 497.352 5.887 30 20 JKED Cc1ccc(-c2c(C)sc3nc(/C(Cl)=C\c4ccc(O[C@@H](C)C#N)cc4)nc(O)c23)cc1 303218303 RCBLOAOWOBFEQB-SLDJAQPHSA-N 461.974 6.709 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(SC)c(OC)c2)nnc1-c1ccc(Cl)cc1 478552026 OQCOVDMEARLRSL-UHFFFAOYSA-N 489.066 5.266 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H]1CCc2ccccc21 481230657 VCCACMHMILFWFJ-VWLOTQADSA-N 471.532 5.141 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cc2F)c1 481653561 FIOWQKXYQJQAFK-ATIYNZHBSA-N 459.521 5.566 30 20 JKED C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 481710245 GDOVAHSKLOXIDM-NTKDMRAZSA-N 458.537 5.233 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491077923 TXDKYDUCIFFZKG-UHFFFAOYSA-N 498.626 5.914 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)cc1 498391607 YMFOAWAOLLMEII-UHFFFAOYSA-N 454.935 5.462 30 20 JKED CC(C)[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc2ccccc2[nH]1 503693724 CMAMEEGJKVTFEG-VWLOTQADSA-N 453.546 5.727 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1 508272092 GAYJCHJISXYCTL-RLWLMLJZSA-N 457.530 5.649 30 20 JKED CC(C)N(C)C(=O)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 510053953 HSVAMRBQIRMXDT-JOCHJYFZSA-N 452.986 5.106 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 510230199 RPWASAVCJLMALD-UHFFFAOYSA-N 487.940 5.111 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 510873354 SFTZGUQGYJKTSQ-UHFFFAOYSA-N 454.530 5.085 30 20 JKED CCCCc1ccc([C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2cccs2)cc1 512615935 ZAQXISDSXDLPKL-SANMLTNESA-N 471.630 5.460 30 20 JKED COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3sc(C)c(C)c3C#N)[C@@H]2c2ccccc2OC)cc1 514612630 QYIJTMIUIDMMCU-BWKNWUBXSA-N 489.597 5.377 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OC 515541837 ASLFATPPPBEAQT-CYBMUJFWSA-N 478.293 5.481 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 515554139 RPGURYLYKMMJFW-UHFFFAOYSA-N 470.554 5.061 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 515690856 MROTZJMRVBMMJO-QGZVFWFLSA-N 481.524 5.379 30 20 JKED COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 516461876 IBVRNKZMYMLMPK-UHFFFAOYSA-N 481.600 5.516 30 20 JKED CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c2ccccc2)cc1 516738356 ATYSRVBQBROSLX-MUUNZHRXSA-N 491.547 5.594 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCOc2ccc(C(F)(F)F)cc2)cc1 517420181 VMHLKFMWXBRRLD-UHFFFAOYSA-N 456.489 5.678 30 20 JKED COc1cc(-c2noc(CCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)cc(Cl)c1OC 517457291 KKOAVJQPLKTELJ-AWEZNQCLSA-N 486.981 5.230 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1Cl 517942248 DLZWWZALYHZHDY-ZCYQVOJMSA-N 475.951 5.731 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3COCc3ccccc3)cc2)c1 520935962 PYLQKLOHJVCAIT-UHFFFAOYSA-N 491.547 5.322 30 20 JKED O=C(Nc1nc2cc(F)c(F)cc2s1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 521228934 NONCHBLDQLAMRM-UHFFFAOYSA-N 492.351 6.050 30 20 JKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 524169914 JWUJQMGAURKZOM-NRFANRHFSA-N 468.891 5.314 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1-c1ccc(Cl)cc1 524457664 UCEFZOVAHGYITL-UHFFFAOYSA-N 460.896 5.676 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2)c1 561408483 QEVNEMBUKBWGIZ-JOCHJYFZSA-N 468.538 5.262 30 20 JKED N#C[C@@H](C(=O)c1oc2ccccc2c1CSc1cccs1)c1nc2ccccc2n1C(F)F 567534082 GNPNGWNJXWOEAU-HNNXBMFYSA-N 479.533 7.021 30 20 JKED CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 590236864 HCRNPAHBQDIIJD-IBGZPJMESA-N 476.960 5.718 30 20 JKED COc1cc(C(=O)N(C)Cc2cccc(C#N)c2)ccc1OCc1ccc(Br)s1 603638177 WLHXKZSKOLQNKW-UHFFFAOYSA-N 471.376 5.242 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cn2)c1 603692818 OBGJGGZFGJKKFS-SFHVURJKSA-N 455.543 5.767 30 20 JKED CCn1c(SCC(=O)Nc2ncccc2OCCCC#N)nnc1-c1ccc(Cl)cc1Cl 608883682 XSEPXXLRSSNDFY-UHFFFAOYSA-N 491.404 5.080 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 609088134 NRMSOJVBSXMLGY-UHFFFAOYSA-N 499.592 5.576 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2cc(Cl)ccc2c1=O 609369896 SDLKGUYBRYNAND-HNNXBMFYSA-N 487.050 5.442 30 20 JKED CCc1c(C)sc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c1C#N 609372306 QCKVSGTVKDYFJA-UHFFFAOYSA-N 489.857 5.933 30 20 JKED Cc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(S(=O)(=O)N2CCC(C)CC2)c1C 609378267 ZBXJTUXMMPSXHF-SFHVURJKSA-N 485.675 5.228 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(OC2CCC(C)CC2)CC1 609397135 VMBIGHJBQORJPC-UHFFFAOYSA-N 461.606 6.037 30 20 JKED Cc1cc(CNC(=O)C(=O)Nc2ccccc2SCCC#N)ccc1Oc1ccc(F)cc1 609404149 WYYABGSKPPNOLT-UHFFFAOYSA-N 463.534 5.187 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc12 613291071 SAIHQQARRAGSGG-HXUWFJFHSA-N 456.958 6.146 30 20 JKED O=C(Nc1ccccc1SCC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618540787 XTVMRRSHLNEEGF-UWVGGRQHSA-N 454.358 5.936 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 620593415 YPEVPJGVHBCBSO-UHFFFAOYSA-N 454.374 5.144 30 20 JKED O=C(Nc1ccc(OCc2ccccc2F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 622626762 DBVTVERUGWSMHG-GJZGRUSLSA-N 464.381 5.999 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)cc1 624883839 JSJAMRXGVVTDLW-YGPDHOBYSA-N 481.596 5.168 30 20 JKED CS(=O)(=O)Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 642281466 GGAVJBUWOLYUNZ-INIZCTEOSA-N 465.383 5.152 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc2c1OCCO2 642281842 SXBJADPXADONFO-CQSZACIVSA-N 461.326 5.387 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@H](C)c2cccnc2)cn1 726109578 CPPHWXKZKZJZGO-HOYKHHGWSA-N 498.612 5.173 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(CC[C@@H](C)OC)C2=O)c1 726392555 HRLWVIGTMPEFHV-KOSHJBKYSA-N 491.613 5.234 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(C(C)C)cc1 726570624 HKNGVQWTKPAOIN-UHFFFAOYSA-O 463.026 6.508 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(CNC(C)=O)s1 726571303 RMVVRSXFOQLREO-UHFFFAOYSA-O 498.053 5.082 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 726942082 QLMXPQGYZCUUPC-SFHVURJKSA-N 488.638 5.941 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)cc1Cl 727264921 ZZWMFDSMLLNALE-UKTHLTGXSA-N 451.331 5.035 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2sccc2C)c1 728424023 RURAOXNNSPRVCB-NRFANRHFSA-N 490.610 5.097 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(CCCc3ccccc3)C2=O)cc1 728424651 FVAYQWBXLBRRRB-RUZDIDTESA-N 493.592 5.023 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCCCC#N)C2=O)cc1 728776984 WATKTVIMLKUWRM-QHCPKHFHSA-N 476.602 5.160 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1 728778684 FENDXIULCTZHSO-OAQYLSRUSA-N 485.009 5.311 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)c1 728780749 YDTZVOCKWRUVSJ-DEOSSOPVSA-N 488.588 5.942 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 729245574 VKUVTDSZHBVROZ-KAMYIIQDSA-N 483.999 5.697 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CC2)c1 730528087 VQSDSFQWYNGVOT-FQEVSTJZSA-N 457.983 5.034 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 730609379 DOLBQURRSJXZFD-QHCPKHFHSA-N 484.936 5.397 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cocn2)c1 730727346 PIIXZHWEBSGFRT-OAQYLSRUSA-N 466.538 5.098 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1[nH]c2ccccc2c1Br 731069616 OEAKYKYVZOASRL-CYBMUJFWSA-N 472.364 5.120 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 732526698 PZJMZZCXDYDCKI-HXUWFJFHSA-N 451.646 5.390 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccc3ccccc3n2)C1=O)NCc1ccccc1 743513366 WKMZTKCKKXPGKC-SANMLTNESA-N 494.620 5.116 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCSc2ccccc2)C1=O 745391880 DLURHGJKWFTWPM-HSZRJFAPSA-N 491.638 5.448 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCOC1CCCC1 747044779 ZKAJJBGTMQLVBE-HSZRJFAPSA-N 499.608 5.144 30 20 JKED Cc1nn(C)c2ncc(/C=C3/CC(c4ccccc4)C/C(=C\c4cnc5c(c4)c(C)nn5C)C3=O)cc12 748508588 DMIZSEZLEQNMSE-KDWDADFLSA-N 488.595 5.481 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nnc1-c1ccc(Cl)cc1 793524414 FOLBKPDQUKIHCS-UHFFFAOYSA-N 496.080 5.526 30 20 JKED COc1ccc(-c2nc(SCc3csc(COc4ccc(C)cc4)n3)nc(O)c2C#N)cc1 824963661 DQNYZFSBTIDLCP-UHFFFAOYSA-N 476.583 5.366 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2F)c1 837349039 VAWKWKLMTQQDHK-JOCHJYFZSA-N 481.524 5.134 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 837480463 HTCWWRUCNQFRQE-YCRPNKLZSA-N 482.968 5.596 30 20 JKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 856652998 NCMNKMOJWLRLNM-HHHXNRCGSA-N 484.600 5.188 30 20 JKED C[C@@H](OC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)C(=O)Nc1ccccc1C#N 899997684 DHYOZVODCOFFKJ-MRXNPFEDSA-N 455.445 5.203 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccccc2C(F)(F)F)[n+]2ccc(C)cc2)N=C1C 912791712 VIKBCPUJZCHDOB-UHFFFAOYSA-O 474.528 5.619 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 914521200 WTZIJGFSEYOUMP-MHZLTWQESA-N 453.517 5.503 30 20 JKED CN(C)Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)c1 914694655 QTGPPGQYNXSXSN-XMMPIXPASA-N 490.604 5.048 30 20 JKED Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2ccc(OCc3ccccc3C#N)cc2)o1 915511829 HHAYFWVXSVSKHW-UHFFFAOYSA-N 492.491 5.508 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 916137003 FLNWZKOQQOLUQA-XYOKQWHBSA-N 480.904 5.561 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccccc1 916210122 ATQPNMWSYHFVFE-OAQYLSRUSA-N 490.025 5.044 30 20 JKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2cnc3sc(C)c(C)c3c2=O)cc1 916544670 QEHOVCFXHQIHOV-UHFFFAOYSA-N 453.571 5.177 30 20 JKED Cn1c([C@@H](C#N)C(=O)[C@H](Oc2ccccc2Br)c2ccccc2)nc2ccccc21 916844735 AFPAZUKYBSTHDN-GAJHUEQPSA-N 460.331 5.332 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)c12 916916214 QBIYPNYJYGJKKK-JOCHJYFZSA-N 459.509 5.058 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1Cl 916940857 ZUAHZAXEGRCYIJ-ZDUSSCGKSA-N 451.891 5.179 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4cccc(Br)c4)n3)n2)cc1 916972000 IMQFNIKEURQUDE-IBGZPJMESA-N 494.439 6.424 30 20 JKED N#C[C@@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976295 AZAMNWUEYRIGEH-SFHVURJKSA-N 457.045 6.822 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 917425898 FTKQHLIHULFPPG-INIZCTEOSA-N 499.951 5.461 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2c(Cl)cc(Cl)cc2Cl)cs1 917530557 MWOZJWWNMBSKGL-UHFFFAOYSA-N 457.745 6.373 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1Cl 917676276 OWQHYDUUSUVLHB-IBGZPJMESA-N 480.417 5.299 30 20 JKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 918983112 VACUAYDNWDRMHT-PCAWENJQSA-N 477.323 5.082 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)n1 920326630 BPEBVBASCDVLAN-CQSZACIVSA-N 499.379 5.520 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2c(F)cccc2F)cs1 920806661 NBPNPTADIIJXQK-NVXWUHKLSA-N 485.943 5.470 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)cc1 920870326 SIMLXKSHUYRSGA-HOYKHHGWSA-N 491.613 5.091 30 20 JKED C=C(Br)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 921043190 JJOOQSAFJWXPBZ-GDNBJRDFSA-N 458.337 5.160 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 1778142213 NCYCSUOCUHFSOY-WSOLHVCVSA-N 497.035 5.496 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1779275167 LVRNXWXSSYTIGE-WSCWJOSJSA-N 499.866 5.543 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ncc(Cl)cc3Cl)cc2)CCC1 1785790756 KTLFXLBFUQFFCV-UHFFFAOYSA-N 495.366 5.087 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(NC(C)=O)cc3)CCC2)cc1 1786103542 MFPQYGYQRDICRZ-UHFFFAOYSA-N 459.590 5.090 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1786163997 PXVJLOIEKGDADY-UHFFFAOYSA-N 475.589 5.012 30 20 JKED COc1cncc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1786843341 JQBZDWSFKUXISD-HXUWFJFHSA-N 482.584 5.098 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)CCC1 1787110847 ZUCYWGTXHFFYNT-UHFFFAOYSA-N 481.478 5.147 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnn4c(-c5cccs5)ccnc34)cc2)CCC1 1788499739 AXCGYRBOODENAY-UHFFFAOYSA-N 483.597 5.009 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)c1 1788721948 RHJFMCWSIDHFMY-UHFFFAOYSA-N 481.474 5.551 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c(F)c1 1789189781 SOZMFYYALDXZFU-UHFFFAOYSA-N 471.532 5.086 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)COc3ccc(Cl)c(Cl)c3)CCC2)cc1 1790565225 VDNJONCLNOEBGP-MRXNPFEDSA-N 492.403 5.307 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCCCC4)cc3)CCC2)cc1 1790567723 PDLVLWFSWDLETO-NRFANRHFSA-N 476.621 5.226 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)COC4CCCCC4)CCC3)cc2)c(Cl)c1 1790765814 FVGPWDJZMUPHBA-UHFFFAOYSA-N 465.981 5.309 30 20 JKED Cc1ccncc1CCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792169708 VKXALNQQZJGBDM-UHFFFAOYSA-N 496.611 5.429 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1Cl)C2 1793051544 MLCNSEPGSOUVTJ-BCDXTJNWSA-N 484.946 5.301 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(C(F)(F)F)CC1)c1ccc(F)cc1C(F)(F)F 1793925626 MGIZKMFLBPTLNC-QUZOXXGXSA-N 494.451 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(Br)c1C 1799314180 OWLFGDIHROTNCK-BCDXTJNWSA-N 465.407 5.141 30 20 JKED Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)o1 1800406033 SEAUXYARWUSWLA-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCC(=O)OCc1ccccc1)C2 1801642516 ZIKHJKIJYBSSRI-URBBEOKESA-N 482.665 5.311 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1)c1ccccc1 1804865744 ADNNJCXAECROBZ-GYGTVUFYSA-N 496.655 5.224 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)Cn3ccc4c(F)cccc43)C2)CC1)c1ccccc1 1805463826 DIZRPKDOGCCARF-RUZDIDTESA-N 499.630 5.209 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1806454079 LXRPJXSZXOQDIN-RGVCCXDYSA-N 480.612 5.103 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1806681826 KSGYBQKNHPQNCZ-ZEQKJWHPSA-N 466.025 5.142 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)[C@H]1c1cccnc1 1810175244 JQCLGGSKGBOTEJ-OIKPOIBNSA-N 471.645 5.368 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)[C@H]1c1cccnc1 1810494689 KGOALXHSEJTPLH-ATILKMQGSA-N 488.676 5.144 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1812515668 DKSVDTZVIMSXKN-GERBCZOESA-N 474.432 5.239 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C3(c4ccc(C)cc4)CCCCC3)[C@H]2c2cccnc2)C1 1813221235 VOFQKPGZGYPFQX-SHQCIBLASA-N 471.645 5.264 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)[nH]n1 1814445222 FNUQHPQLVDBCLZ-AZUAARDMSA-N 489.661 5.088 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1)c1ccccc1 1814931365 IUOBQOZDCSENBA-AOYPEHQESA-N 469.589 5.221 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2C1 1817356802 ZNEWPVAMIVXMSY-MOPGFXCFSA-N 476.602 5.101 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818773533 XTQOZSHGPZJEBT-KBXCAEBGSA-N 472.998 5.175 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1820976138 FMJMQTZNYFGHSQ-FRGLQRNOSA-N 488.032 5.296 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(OCC3CC3)c2)n[nH]1 1821233106 BNCKPBBRYXHENL-GGAORHGYSA-N 492.620 5.281 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC(C)C)cc3)n[nH]2)c(C#N)c1 1821249979 BAWHVBONAFLBMB-AREMUKBSSA-N 499.615 5.037 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)[nH]n2)c(Cl)c1 1821277055 CZXZDCBKAXCVDJ-IBGZPJMESA-N 478.965 5.097 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)n[nH]1 1821849221 GFGGYXRZHCOTIS-TZIWHRDSSA-N 474.527 5.432 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(Br)cc2)n[nH]1 1822219011 XKTGASGOWJRFCW-KGHCKTCOSA-N 471.399 5.090 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(Br)cc23)[nH]n1 1822584624 YBTDVFILZDOCFG-OAQYLSRUSA-N 496.409 5.153 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3c(Cl)cccc3s1)CC2 1823084436 ALVLXCMPJXHQSP-QWHCGFSZSA-N 491.038 5.038 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823214721 IWAUUXLFHVCIOW-BVPXDSKXSA-N 499.640 5.957 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(F)c(Cl)c2)n[nH]1 1823277228 RBZNOIHPOBIMDF-HNAYVOBHSA-N 462.928 5.416 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)c2O1 1823683602 PRLKUTGOOIPMHO-HHHXNRCGSA-N 499.655 5.138 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2SCC)CC1 1823749625 QDGWZMTWCPAXNL-JOCHJYFZSA-N 457.684 5.419 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)cc1 1823812737 PGMWQQVEGABMTE-NDEPHWFRSA-N 492.623 5.096 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)nc(C(F)(F)F)c2)CC1 1824143060 HEPHNZLSSNNKNL-NRFANRHFSA-N 493.570 5.111 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)CC1 1824447192 VHPHEGNHMGHYNB-QPPBQGQZSA-N 477.020 5.246 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1824500086 APAZBAJQJMNRRW-GOSISDBHSA-N 473.466 5.271 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1824545717 YDRBEFJCAQHYLQ-VQTJNVASSA-N 474.564 5.032 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825950616 ABDAJMQGAZCMHO-FQEVSTJZSA-N 450.570 5.330 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCCC3)CC2)cc(C(F)(F)F)c1 1826255865 KOOADAYAEVMMDM-QFIPXVFZSA-N 461.528 5.001 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321278 MHYXQCCZJMLSLG-RDTXWAMCSA-N 451.057 5.106 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2N)CC1)c1ccccc1 1829032365 IMBRGFHTOPSEKV-WYPAJJBVSA-N 483.656 5.099 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCN(c3ccc(F)cn3)CC2)CC1 1829069952 CRGJKEJAQNRSPF-VWLOTQADSA-N 498.687 5.049 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)n3)CC2)c1 1829242525 FWFDWODBWGKVFP-JPYJTQIMSA-N 498.549 5.275 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)C(F)(F)F 1829757415 XIYBDTSODBKLFK-OAQYLSRUSA-N 494.945 5.082 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c1 1829952800 YTBTVUATGKBOFY-GDLZYMKVSA-N 492.623 5.476 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1F 1829967514 BCTADJHWSSINBY-FNZWTVRRSA-N 461.581 5.308 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274666 GNXAFWQCPXMVGB-OZXSUGGESA-N 494.079 5.664 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1830408196 IPSAUXCJAVUUNK-LADGPHEKSA-N 476.702 5.501 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830417807 IJCDYSQSVLRMTJ-GIGWZHCTSA-N 499.655 5.121 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)cc1 1830745871 SCFDDYZCJQTARH-MUUNZHRXSA-N 469.629 5.302 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1830771244 WEWNDXANIPZKDX-JOCHJYFZSA-N 485.415 5.116 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3ccc(Br)cc23)CC1 1830826987 NGLRSMLLRCINMO-XMMPIXPASA-N 496.449 5.034 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2N2CCCCC2)CC1)C(F)(F)F 1831453828 MWSGEEZLEXAMFI-JOCHJYFZSA-N 477.571 5.029 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831969406 NSIIHJFKZASLAR-ZJVMWOEPSA-N 495.408 5.293 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(c3)CCCO4)CC2)c1 1832562367 GPNSMRGIDJQGAV-IDISGSTGSA-N 485.628 5.186 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)c1 1832610846 UUSVNKRQYOLHMV-RUZDIDTESA-N 481.999 5.135 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832689456 OEHODXVZJINQDN-MZNJEOGPSA-N 499.989 5.792 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711641 QBSJVBWPWVXSAC-UXHICEINSA-N 474.564 5.032 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)C1 1843611150 GEGOBBWMEVZPOS-UHFFFAOYSA-N 465.981 5.113 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4oc(-c5ccccc5)cc4[nH]2)C3)c1 1846830000 GXASUITXYXAALH-LJQANCHMSA-N 478.552 5.186 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)Nc1ccccc1C#N 9968170 ABCOGHPNSHHWFG-OAHLLOKOSA-N 461.497 5.203 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc(Br)c2)cc1 11084806 SKHNADBDXPFSRB-UHFFFAOYSA-O 490.393 6.018 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11113681 QTIBTWOAQVYABG-UHFFFAOYSA-O 479.544 6.180 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1 11153505 VSRDEZOXOODLDV-UHFFFAOYSA-O 487.595 6.511 30 20 JKED C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1OC 14082588 ZCHIUDJFTNYSKP-UHFFFAOYSA-N 479.631 5.073 30 20 JKED C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 16766699 ZJPXDCDTQSMQDW-SNVBAGLBSA-N 467.428 5.961 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1cccc(C)c1 16862969 XYMXDCNWGSNYMV-MRXNPFEDSA-N 456.999 5.529 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 18231005 WHLFFJIBBSDXKO-UHFFFAOYSA-N 470.982 5.054 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 25663364 QPQPCOLYQMEGBT-UHFFFAOYSA-N 473.476 5.241 30 20 JKED COc1cc(C)c(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 26531925 TWQLKHMEHVSBDC-IBGZPJMESA-N 456.951 5.122 30 20 JKED N#C[C@H](C(=O)CSc1nc(C(F)(F)F)nc2ccccc12)c1nc(-c2ccccc2)cs1 46582129 YDWFXWBGMAOQDU-OAHLLOKOSA-N 470.501 5.741 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1OC 212670911 FUUDLXZWFFTKMA-SOFYXZRVSA-N 458.514 5.173 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1Cc1ccco1 255115572 WOQLJGRUBHVNMD-FQEVSTJZSA-N 498.402 5.511 30 20 JKED Cc1cc(Sc2ccccc2)ccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 303040190 WABYNNQABYYEEO-UHFFFAOYSA-N 484.581 6.121 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cc2F)c1 481600440 VHPCUXVFUQTEKD-UHFFFAOYSA-N 474.923 6.001 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2c(F)cccc2Cl)cc1Cl 484103587 IVPULVPEORAGMM-KRWDZBQOSA-N 456.304 5.043 30 20 JKED C=CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C)c1ccccc1 484233853 NSCLLRAYDHAUDB-UHFFFAOYSA-N 464.587 5.052 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 498450426 ZWELKTKSXYDLJX-QGZVFWFLSA-N 453.995 5.927 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1C 498597880 NFAYJGOGFKCEPQ-UHFFFAOYSA-N 466.589 5.701 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)c1C 501532064 GADPEKCUOHRWQY-UHFFFAOYSA-N 495.052 5.177 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 504180530 IAIHSVGUYITOCL-UHFFFAOYSA-N 478.021 5.606 30 20 JKED C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 504639979 XDYCPNMENNZNBU-AWEZNQCLSA-N 478.540 5.038 30 20 JKED N#CCCCCNC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 509347867 GHTQNWQWSAVBNY-IBGZPJMESA-N 451.423 5.147 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 511406297 WLAXCUZRLCXOKQ-UHFFFAOYSA-N 454.574 5.118 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCOc3c(Cl)cccc32)nnc1-c1ccc(Cl)cc1 511522519 MCDFJSFKHJOWRN-SFHVURJKSA-N 475.401 5.170 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 512411579 OTNVIZUNBYDHDN-KDOFPFPSSA-N 473.367 5.006 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513677220 SNDDSQUUFADNOY-HNNXBMFYSA-N 464.547 5.337 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513693072 ZWHUWKBOZOUYHJ-HNNXBMFYSA-N 481.002 5.851 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 514347557 JYGDVESZWJBABD-HNNXBMFYSA-N 469.517 5.533 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nnc(C(C)(C)C)s2)c1 515724882 VSGRRXIHKBMMKS-UHFFFAOYSA-N 491.038 5.123 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c2C(F)(F)F)c1 517097258 OLKYNDZILZRFFM-UHFFFAOYSA-N 462.431 6.116 30 20 JKED COc1cc(Br)c(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1OC 517530229 LQGQCWULBWGSKI-CYBMUJFWSA-N 464.385 5.182 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1Cl 517821543 RWPITZSUGRIMMB-QHCPKHFHSA-N 481.939 5.930 30 20 JKED C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)c1nc(-c2ccccc2)cs1 518170959 JALPXKGEVIECSB-JOCHJYFZSA-N 459.615 5.498 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1Cl 520933697 HCRVOKAPDMQYPU-PZUNEJSGSA-N 491.950 5.110 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1 522325588 PIZKQXNAFPQSBO-UHFFFAOYSA-N 470.548 5.348 30 20 JKED CCc1cccc2c1OCC[C@H]2NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523966752 IGHRDQBWDNOOIA-ISKFKSNPSA-N 473.960 5.136 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc2Cl)c1 524437615 UDKGKRNNUPYHEM-QFIPXVFZSA-N 465.937 5.597 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1ccco1 594527043 BIFVMPMYWPSKSE-FCIYXJNOSA-N 475.618 5.574 30 20 JKED COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Sc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1 598583481 IEORTNIKHLTIGD-JKSUJKDBSA-N 477.586 5.077 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2sc(C)c(C)c2C#N)c1 603445191 PSNJNIOYWPTJLW-UHFFFAOYSA-N 458.543 5.359 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)cn2)cc1 603765806 ZTHCBPKEZNCFAA-UHFFFAOYSA-N 460.946 5.627 30 20 JKED N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)c(-c2ccccc2)n1 603804248 QNDXSSADDCMQLK-RUZDIDTESA-N 453.933 5.888 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)cc1 604139525 VPOJQCFCWHZVSL-DEOSSOPVSA-N 475.932 5.219 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1OC(F)F 604142788 WKZXIILFOZUPAQ-FQEVSTJZSA-N 499.901 5.811 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 608918798 XGLSZHZAASRTLP-IBGZPJMESA-N 458.537 5.631 30 20 JKED N#CCCN(C(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1)c1cccc(Cl)c1 608929775 QYZWGWPSPNILGW-UHFFFAOYSA-N 465.337 5.145 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)nc1 608994983 VTNDPPIBIFGWFU-DEOSSOPVSA-N 480.399 5.318 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 609073797 YEXMIQPUHYZXMG-UHFFFAOYSA-N 492.495 5.075 30 20 JKED COc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)ccc1OC(F)F 609079549 CKQNWBROTVOOFM-UHFFFAOYSA-N 487.890 5.722 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2cccs2)cc1 609400597 LNIXEYXBMIUSSK-WYEJZRMESA-N 491.682 6.358 30 20 JKED CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C(F)(F)F)c1 609439519 QLTJEAJCLMLDMH-HNNXBMFYSA-N 479.524 5.142 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1ccsc1)c1nc(-c2ccc(Cl)cc2)cs1 613319841 MHQGXAVJXWIEKO-GOSISDBHSA-N 463.971 6.267 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346472 KNIWIBRWAGXKKO-HNNXBMFYSA-N 490.799 6.387 30 20 JKED C=CCN(C(=O)c1ccc(CC(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614252975 DXWRIYKHYSGGDT-UHFFFAOYSA-N 454.617 5.245 30 20 JKED O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 619386854 XUIXPCIUWFEZAD-GJZGRUSLSA-N 466.372 5.827 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2C(F)(F)F)cc1 619673753 HVNLDXOXEUWAAC-UHFFFAOYSA-N 453.449 5.447 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2Br)no1 620847272 DZARVOKPZGHUDF-GOSISDBHSA-N 462.303 5.363 30 20 JKED CC(C)CN(CCc1ccc(F)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622093000 RVSYIDNSAUQGEI-HZPDHXFCSA-N 456.446 5.945 30 20 JKED O=C(c1cccc(C(F)F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517416 IHJAJYSGECRRTR-INIZCTEOSA-N 453.329 5.876 30 20 JKED Cc1nc(C(F)(F)F)ccc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518092 VXGJBWMGSNTACJ-HNNXBMFYSA-N 486.334 5.660 30 20 JKED O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642507048 UXMKMFFNRIQGKG-QWRGUYRKSA-N 479.343 5.010 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1oc2ccccc2c1CSc1ncccn1 726320349 XCRXOCLKHOGCTJ-FQEVSTJZSA-N 478.533 5.629 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])SC1=Nc1ccc(C#N)c(Cl)c1 726407384 QSGCPYNERRSAJK-HXUWFJFHSA-N 499.980 5.189 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)S/C1=N\[C@@H](C)c1cccs1 726421348 MNPCXSRVMJZOMS-QOTVRNNISA-N 457.621 5.113 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CCOCC(F)(F)F)C2=O)cc1 726422719 YKZLIJOZQPWPRF-GCAAORTHSA-N 499.580 5.025 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc(OC(C)C)cc2)cc1 726573841 SNCXZDSBIYVVMZ-UHFFFAOYSA-O 490.649 5.807 30 20 JKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)N[C@H](C)c2cccs2)cc1 726581837 WSYCLFJJJLGGHY-QGZVFWFLSA-O 496.722 6.496 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C\c3cccc(NC(=O)c4ccccc4Cl)c3)SC2=S)c1 726629427 NKYJSFUSZOACMH-PXLXIMEGSA-N 474.994 5.979 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(F)cccc2Cl)cn1 726893225 XPTMOMNGPFXIMY-FQEVSTJZSA-N 498.967 5.043 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](O)c3ccc(OC(F)(F)F)cc3)cc2F)c1 728392734 OEIZRVKCUDVCKG-NRFANRHFSA-N 489.425 5.030 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1csc(-c2cccs2)n1 728428168 QSIPFZGPDAMNQY-UHFFFAOYSA-N 469.016 6.154 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728780719 XRITVRAKHQRIQH-FQEVSTJZSA-N 488.972 5.142 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 729146765 XQVCKSYJWDKVBI-IBGZPJMESA-N 496.017 5.137 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2sc3cc(Br)ccc3c2Cl)cc(OC)c1OC 729842872 POTBFGHMWBLONF-ZDUSSCGKSA-N 495.782 5.338 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1 730461644 QTTOFCKHPAOIHY-IBGZPJMESA-N 461.509 5.527 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C2CC2)C1=O)Nc1ccc(SC(F)F)cc1 730503212 NUGQJGNXEBVWCS-KRWDZBQOSA-N 465.522 5.263 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@H](C)C2 730685812 ITYXCMPNGPSRRA-IKTSWFPUSA-N 486.540 5.174 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)O[C@@H](C)C2 730686486 GQVWZTXDFQHDBC-ROPXLQENSA-N 473.356 5.167 30 20 JKED Cc1ccc(/C=C\C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Br)c1 731066687 FIGTZTLPOJQRGN-YDZSZYSISA-N 473.392 5.347 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 731070691 JZAYODOYJGXUEZ-GOSISDBHSA-N 486.553 5.322 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)cc1 731307462 SLICCHSBEQVZHY-XMMPIXPASA-N 489.597 5.340 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C2CCC2)C1=O)Nc1cccc(O)c1 731308716 MPFYABGAPGRMMJ-GOSISDBHSA-N 464.374 5.212 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc3cccnc23)cc1 744997927 XZNBBRYUIVKFRJ-DEOSSOPVSA-N 496.592 5.404 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCOC(C)(C)C)C2=O)cc1 746697623 IFXHDKAKUQSGRW-QFIPXVFZSA-N 499.608 5.112 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1 750393888 AWJHGFMRGURGJG-WMLDXEAASA-N 485.972 5.148 30 20 JKED C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 750685656 AUFYZBRDRHDVAQ-NZQKXSOJSA-N 492.620 5.489 30 20 JKED Cc1ccc(N=Cc2cc3ccccc3nc2O)cc1S(=O)(=O)Nc1ccccc1Cl 912773783 XDOHWGGHAGTENI-UHFFFAOYSA-N 451.935 5.454 30 20 JKED COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1NC(=O)OC(C)(C)C 915078093 ZMBDBFLKFDYRJA-UHFFFAOYSA-N 489.597 6.458 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(OC)c1 916205349 GKPRMYKAJTXVHR-JOCHJYFZSA-N 467.591 5.048 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccn2)C1=O 916208678 PFMVXJOLSPPAPJ-OAQYLSRUSA-N 482.968 5.343 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(Cl)cc1 916211570 PRGNNIQHAYXTFM-GOSISDBHSA-N 464.374 5.148 30 20 JKED COc1ccccc1Nc1nc(Cl)c(C=Nn2c(S)nnc2-c2ccccc2Cl)s1 916541270 MZMYXXCLQTYLIX-UHFFFAOYSA-N 477.402 5.632 30 20 JKED CC(=NNc1ncnc2sc3c(c12)CCC3)c1ccc(OCC(=O)Nc2ccccc2C)cc1 916594494 GAFCQWKNGYXSQE-UHFFFAOYSA-N 471.586 5.342 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1-c1ccc(F)cc1 916906973 GDRJLRMQJTVHHD-OAQYLSRUSA-N 454.461 5.073 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 916936848 ATCYXYBZOLGSEY-ZDUSSCGKSA-N 464.749 5.347 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976963 YMPOENZKKXJOQA-AEFFLSMTSA-N 470.381 5.342 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046268 IUAGWHRMLVTRNI-RDJZCZTQSA-N 474.369 5.093 30 20 JKED CCCCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1 917559496 JWQBUEPHERGAJE-XNTDXEJSSA-N 452.551 6.432 30 20 JKED Cc1nc2sccc2c(=O)n1N=Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 917580589 DAWKJQCIZIXXEP-UHFFFAOYSA-N 459.962 5.214 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(C(C)C)c1 917712630 LMVGCXPRSURITF-NRFANRHFSA-N 469.994 5.066 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 918443882 JJPHIGBAHJUOAW-QFIPXVFZSA-N 452.341 5.246 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3=Cc4cc(Br)ccc4OC3)n2)cc1 920142598 LOCBQGGNXWQEKO-GOSISDBHSA-N 467.344 5.233 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3c(C)noc3C)C2=O)c1 920354679 DZSLGPFJKCWKII-QHCPKHFHSA-N 494.592 5.516 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(Cl)s3)n2)c1C 920676398 DLWMCGYWDRWSHW-UHFFFAOYSA-N 459.980 5.246 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 920854078 IGLHDQPMIUAKMY-UHFFFAOYSA-N 451.442 5.524 30 20 JKED CCSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1785781197 PIFRGMKAUFXJLX-OUKQBFOZSA-N 491.638 5.442 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C4(c5ccc(Cl)cc5)CCOCC4)CCC3)cc2)C1 1785810152 CSBWCUPCMPLAAZ-UHFFFAOYSA-N 479.020 5.489 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)cc3F)CCC2)cc1 1786367498 RFUGAIBIEHJOGC-UHFFFAOYSA-N 468.569 5.343 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCCCC4)cc3)CCC2)cc1 1786374264 NJYSZYLCLAIWCE-NRFANRHFSA-N 461.606 5.016 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C(F)(F)F)cn3)CCC2)cc1 1786390938 FGOCNRCAFGDUIW-NRFANRHFSA-N 479.568 5.122 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1)c1ccc(O)cc1 1788466463 UPNJFFPVGISQMI-OAQYLSRUSA-N 492.579 5.213 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5ccoc5C(F)(F)F)cc4)CCC3)c2c1 1788726728 IQIFEBLASVFPIN-UHFFFAOYSA-N 493.445 5.108 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1788786824 WSJDLQUCYMGJDO-UHFFFAOYSA-N 481.474 5.469 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)cc3)CCC2)cc1 1788986293 SINWZZPNYBNMIL-UHFFFAOYSA-N 484.506 5.574 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc4nccn4c3)cc2)CCC1)c1ccccc1 1789081471 KFEGXHXHEXLHTR-AREMUKBSSA-N 476.580 5.279 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(cnn5C)c4)cc3)CCC2)c1 1789087194 LGZBAMPJKLEWFG-IBGZPJMESA-N 477.568 5.262 30 20 JKED C=C1C[C@@H](C(=O)NC2(c3ccc(NC(=O)[C@@H]4CC=C(C)CC4)cc3)CCC2)N(C(=O)OC(C)(C)C)C1 1789115118 TWGPRXPPUFAOHH-QPPBQGQZSA-N 493.648 5.433 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nnc(-c4ccccc4)o3)cc2)CCC1 1789565940 ZWWMOVNXGLNMMG-QFIPXVFZSA-N 456.546 5.253 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3oc(C)nc3C)CCC2)cc1)c1ccccc1 1789600121 AOIZWIMYODOKES-XMMPIXPASA-N 455.558 5.236 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@H]4SC=C[C@H]43)CCC2)cc1)c1ccccc1 1789600554 MWSAHSCDWCTEOW-JBXUNAHCSA-N 456.611 5.193 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CCC1 1789771530 YSBSUHZVZDVXLO-UHFFFAOYSA-N 453.589 5.070 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCc3ccc(F)c(Br)c3)cc2)CCC1 1790362436 WQQKFYZCZYVPAU-UHFFFAOYSA-N 471.370 5.068 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3csc(C)n3)CCC2)cc1 1790519893 LAJXXWCJTBNSFO-FQEVSTJZSA-N 498.649 5.059 30 20 JKED COc1ccc2c(c1)CC[C@@H](CC(=O)NC1(c3ccc(NC(=O)[C@@H](C)ON=C(C)C)cc3)CCC1)C2 1790568635 XEXANRMRGVQUBR-NHCUHLMSSA-N 491.632 5.125 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc5ccsc5[nH]4)cc3)CCC2)ccc1F 1790876752 FCTRJEADCVJJIV-UHFFFAOYSA-N 472.545 5.231 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ccoc5c4)cc3)CCC2)c1 1790892369 IFTWRHRZZIMBPJ-UHFFFAOYSA-N 465.509 5.375 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)c1 1790932234 ZMHQOCBFPVPFBL-UHFFFAOYSA-N 451.482 5.072 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5oc(-c6ccccc6)cc5[nH]4)cc3)CCC2)c1 1790946465 HMSQPLGUSFTLGG-UHFFFAOYSA-N 489.535 5.689 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4cn[nH]c34)CCC2)cc1 1791249798 BQQUJKHEMRMPQK-OAHLLOKOSA-N 481.394 5.285 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccco3)CCC2)cc1 1791252545 VEQMFFWADBDPDJ-SIKLNZKXSA-N 495.620 5.582 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4S)CCC3)cc2)cc1C#N 1792169537 PLLLPHJSLSGOGV-UHFFFAOYSA-N 486.597 5.091 30 20 JKED N#Cc1cccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c1 1792942195 MRWWZMFPLQDUEO-REPLKXPHSA-N 490.818 5.403 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC(F)(F)F)cc1Cl 1799249390 SLIZDXCLFCNBEJ-BCDXTJNWSA-N 484.946 5.301 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCc1ccc(F)c(Br)c1 1801447832 SNRKRKJYSXRRLU-WKCHPHFGSA-N 491.445 5.133 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4cccs4)on3)CC2)C1 1804862300 RFLTVEXIJPRODW-UHFFFAOYSA-N 455.624 5.240 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(OC)c(OC)c3Cl)C2)CC1 1805118167 BIXIYQWOILJPSF-UHFFFAOYSA-N 477.045 5.194 30 20 JKED Cc1scc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1C 1806051248 QQAQTFORGMKYKN-WIOPSUGQSA-N 481.738 5.131 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@H](CNC(=O)CCC#N)[C@@H]3c3cccnc3)cc2)cc1 1806868347 OKFLGJONFCPMQN-DGPALRBDSA-N 494.639 5.715 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1809306579 QLNXVFRSXOTJMA-RSXGOPAZSA-N 470.617 5.250 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1810173401 ONFGKXJOYKIMLA-QHWMMSMNSA-N 468.601 5.026 30 20 JKED Cc1ccccc1CCC(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810270887 BRSIUIXHUICBFX-GGXMVOPNSA-N 489.736 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(C)cs2)[C@@H]1c1cccnc1 1810494107 CDDDWGABYVVMNF-XUZZJYLKSA-N 453.652 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccnc1 1810504136 XNHZMIQLAJLCIU-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Oc4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1810717812 UDDNAYSIKYBSMO-HOFKKMOUSA-N 467.569 5.160 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1811713253 NZKPJEAUUWLPPP-PGRDOPGGSA-N 474.432 5.700 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1812114115 ZPTGOPNYHGZARS-RLWLMLJZSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@@H]1c1cccnc1 1812592483 UVAXXWLPXOGGNM-IATMXGELSA-N 482.584 5.355 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1)C(F)(F)F 1812682488 QMCIVKXOWPLHKK-UPVQGACJSA-N 499.577 5.416 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813230645 KKXJUJSEZFDSTP-YTMVLYRLSA-N 465.597 5.262 30 20 JKED Cc1csc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1813864786 DFOHVLALMTUGSU-ZJSFPPFMSA-N 486.641 5.031 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814371780 DLHRIIFRBPYYNW-PGRDOPGGSA-N 465.985 5.619 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)n[nH]2)c1Cl 1814719501 ORGZCRJUQZKNLR-KCZVDYSFSA-N 491.954 5.183 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815587882 PZYJDQXZZLZVSD-AHWVRZQESA-N 489.664 5.082 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)CCc4c[nH]c5ccccc45)sc3C2)c1 1815623031 DPMVKOOCWYXXGJ-DYESRHJHSA-N 497.624 5.110 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213403 OVFWXGJUOZKEPX-IEBWSBKVSA-N 485.576 5.071 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)ccc1F 1818453438 RJNASYLTUYVEGF-RUZDIDTESA-N 481.531 5.122 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CC=C(C)CC2)n[nH]1)c1ccc(O)cc1 1818809894 JMCFFCLHBIFMHR-OTNCWRBYSA-N 474.605 5.051 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)[nH]n1 1819556624 IIEDSGIGECVOKT-HXUWFJFHSA-N 458.990 5.370 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1820973110 CGFYWMNKSGXUAH-SCLBCKFNSA-N 499.921 5.189 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3oc4ccccc4c3C)[nH]n2)c1 1821325242 SKFVKJONQVPULJ-QFIPXVFZSA-N 467.529 5.264 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccsc3[nH]2)n[nH]1 1821436879 RYUKAQRUNYCZSG-FQEVSTJZSA-N 481.698 5.310 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccsc4[nH]3)n[nH]2)c(Cl)c1 1821437085 FLAGECBAFKHNGI-IBGZPJMESA-N 478.965 5.097 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)[nH]n1 1821923932 SMKNKZYRIRVASY-DHIYETBGSA-N 474.605 5.329 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1821924423 BTCPDMZQBIGRCV-VGSWGCGISA-N 471.561 5.669 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1821925862 AQARXUZKWZBXIL-IFXJQAMLSA-N 466.479 5.015 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)n[nH]1 1822251837 LTRXMIPAUYKIKE-DZJZLKLXSA-N 485.426 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(SC)cc2)n[nH]1 1822596876 PEQZLBXFSMOMBC-IFMALSPDSA-N 452.624 5.135 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)s1 1823210872 JMDNKSOBCVXPBJ-UZUQRXQVSA-N 475.618 5.345 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)[nH]n2)c1 1823212161 LOEYHTKSHXEVQJ-NIYFSFCBSA-N 494.599 5.457 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)[nH]n2)c1 1823218700 UTFURQOEKWGINR-AOMKIAJQSA-N 461.953 5.310 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)s1 1823811073 DVGOORBBBMJNQE-XMMPIXPASA-N 492.689 5.223 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)cc1 1823974537 CVLAVBUKFSQFTG-MHZLTWQESA-N 493.598 5.022 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1824501464 POQJGLOHQNPXRD-GYBKLEMWSA-N 477.649 5.092 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1824879621 FQXGHHYVEUTQKO-SANMLTNESA-N 496.026 5.146 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827365568 YTQCFWOIPHNHJZ-MHZLTWQESA-N 480.612 5.439 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1827515934 KZMNQOUDFMTGOS-GBXCKJPGSA-N 452.639 5.236 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827683975 SIPDESCLUOHRKB-YVSHKSEASA-N 464.631 5.037 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)cc2c1 1828122761 CLZLZCDVRGHZEX-AREMUKBSSA-N 489.019 5.549 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828507931 KJKJWVBDYPJQEV-HSZRJFAPSA-N 496.449 5.385 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828526897 RDABEJVIUFNUBD-HOFKKMOUSA-N 475.633 5.251 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1828829578 DWAFGPBVTYHRLC-OAYWMPHMSA-N 468.613 5.236 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3nccnc3c2)CC1)c1ccccc1 1829032152 JTINQFOVNVOLHG-WNJJXGMVSA-N 494.639 5.060 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829998080 UTQJVPJCRFFXIR-KBMIEXCESA-N 497.561 5.880 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1830422440 XCNFYDDFWIVSJP-UPWIVDSGSA-N 484.706 5.713 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)c1 1830717701 ZCFGPHHFTCEXOB-OFVILXPXSA-N 494.010 5.314 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 1830990594 RMHIJMDMDKJKMY-RUZDIDTESA-N 478.709 5.717 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)c1ccc(Cl)cc1 1831306890 LUIJKZKAJMSVRN-LOSJGSFVSA-N 481.040 5.213 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1831374432 PVCNOJSXEOHZDY-JTSKRJEESA-N 461.528 5.023 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1831845938 SMIINCBPOAQFPX-NBGIEHNGSA-N 482.715 5.531 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc(C)c1O 1832582819 KPPFBFFGSNARDZ-QFQXNSOFSA-N 473.617 5.183 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1 1832634833 PDWNKGBNXOXAON-JPYJTQIMSA-N 498.549 5.275 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1844356443 AOVPCCLTTDTKSO-HXUWFJFHSA-N 483.653 5.333 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(-c4ccccc4)n4ccccc24)C3)c1Cl 1844735720 YJUCHXPJYUDAEN-UHFFFAOYSA-N 494.982 5.262 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C#N)c1Cl)c1ccc(Cl)cc1 1847628933 QQYHFIFBNCGEPN-FKBYEOEOSA-N 470.400 5.120 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Br)cc(C)cc2Br)nc2ccccc21 10237939 ZNJIDMXWDKGIRU-UHFFFAOYSA-N 495.240 5.787 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1)C(=O)Nc1ccccc1C#N 10418980 UURMIOUGNPJWPO-GOSISDBHSA-N 483.549 5.587 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1F 11083003 WNYDDBNUOPTJNK-UHFFFAOYSA-O 486.636 6.019 30 20 JKED CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1cccc(C)c1 14082040 OURODZJCGVKYHX-OAHLLOKOSA-N 451.621 5.062 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1ccccc1)c1ccc(Cl)s1 15247699 WIMIANUBGUYLMA-UHFFFAOYSA-O 452.806 5.502 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23603582 SNUZTQWHLNTSIE-UHFFFAOYSA-O 482.673 6.684 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2sc(-c3ccccc3)c(C)c2c1=O 26676943 INTLURZWZJANRG-HNNXBMFYSA-N 492.651 6.584 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(OC(F)F)cc2)c1 28781016 STASBNNZXDKILK-UHFFFAOYSA-O 472.493 5.151 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 28793719 GYWQLNPLEAVSFP-UHFFFAOYSA-O 478.638 5.479 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 46550511 QYTSBWKVGLDWBR-UHFFFAOYSA-N 459.522 5.018 30 20 JKED C=C(Br)CSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1 59925750 LNHAYFLNJGTMDB-ODLFYWEKSA-N 459.365 5.089 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CC1 68737481 HYQXNYLJDINMQI-UHFFFAOYSA-N 472.476 5.593 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 68787824 YQKOHSBJKHNFLI-HSZRJFAPSA-N 478.017 5.166 30 20 JKED COc1cc(/C=C\C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1Cl 205687539 GXPFWTIZZWNAJT-LUAWRHEFSA-N 465.933 5.579 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 303258246 DOUQSAHEVAWCHN-OAHLLOKOSA-N 468.376 6.140 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)COc3ccccc3OCc3ccccc3)s2)cc1 303274397 IFVMSJCUVHBQOU-UHFFFAOYSA-N 455.539 5.202 30 20 JKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 476429403 FPAXLSVOAUZFBE-DEOSSOPVSA-N 454.530 5.058 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 484671972 UELAXXZOULLJRP-UHFFFAOYSA-N 454.313 5.254 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 485705691 DRBCECWWFXXITL-MRXNPFEDSA-N 482.462 5.231 30 20 JKED C=CCc1cc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc(OC)c1OC 497323257 RTYSFTWUXBYTTI-UHFFFAOYSA-N 461.345 5.633 30 20 JKED CCCOc1ccc([C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1OC 498486963 IZWCROAOPBREJX-FQEVSTJZSA-N 460.578 5.369 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)cc2)cc1 499454396 NCPFHSFZBQWDEA-UHFFFAOYSA-N 467.382 5.341 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 500734957 XRWPVLLPIPZWFW-UHFFFAOYSA-N 477.586 5.129 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N(Cc3ccco3)c3ccccc3C#N)nc(O)c2c1C 500996680 LAERMUQPRZIMIU-INIZCTEOSA-N 478.599 5.334 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)c1 502497130 RXVQSIHCXPMSTG-UHFFFAOYSA-N 452.445 5.665 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c1 502716807 RWRDGDZIZBSJEG-FQEVSTJZSA-N 492.457 5.460 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 503540179 LUKHRKMSSWCULC-JOCHJYFZSA-N 456.571 5.434 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H]1c1ccccc1OC 506722262 RKHNTWGZLBOMBJ-DVECYGJZSA-N 465.619 5.226 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 507614361 VEXLJNMKYXCECC-UHFFFAOYSA-N 450.922 5.347 30 20 JKED CN(Cc1ccccc1Br)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510231718 QKCGXZNUIBBGHQ-UHFFFAOYSA-N 474.409 5.128 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(C(=O)c2ccccc2)CC1 510538170 LJOADFNYYMWEKP-UHFFFAOYSA-N 454.530 5.085 30 20 JKED CCOc1cc2c(cc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)O[C@@H](C)C2 511337113 DSRJVVSRYUBYQC-IBGZPJMESA-N 471.557 5.375 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1ccc(Br)cc1)c1ccc(C(F)(F)F)cn1 513142852 IOGFLQLHZGZXTG-SFHVURJKSA-N 475.264 5.932 30 20 JKED CCOc1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(OCC)cc1NC(=O)c1ccccc1 515217503 LEBRBYJJFNCVGT-UHFFFAOYSA-N 472.545 5.272 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 515413875 VPCIWEXBIZQMJT-UHFFFAOYSA-N 488.491 5.477 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 516270040 LCYBFLZINUQTLD-FQEVSTJZSA-N 480.597 5.857 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 517456240 HCABPQFCMVSWMJ-QGZVFWFLSA-N 475.664 6.972 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCc3ncc(-c4ccccc4Br)o3)c2C#N)C1 517550196 MKEFBWXBVWJLMR-CYBMUJFWSA-N 470.392 5.733 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 518676429 BIRLEXMEGHNTOW-HXUWFJFHSA-N 455.992 5.252 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1)c1ccccc1 519449372 BHXJZANLGVFSKO-UGKGYDQZSA-N 464.635 5.245 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 521679967 ZIJQNUIPWWVOHU-QGZVFWFLSA-N 472.014 5.635 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1 523228214 NBHDEGOLSJOIKI-UHFFFAOYSA-N 467.312 5.534 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)cn2)cc1 603765216 SLKJRLLLHBPQNE-RUZDIDTESA-N 462.509 5.245 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)CC1 603802580 GAJDWAROYMTPCR-RUZDIDTESA-N 493.523 5.174 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)CCOc4ccccc4)CC3)c2C#N)C1 603948799 LYCASWUKDWOZMX-FQEVSTJZSA-N 493.673 5.417 30 20 JKED CCc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccc(Br)cc1 603972290 GWWKGKXDUAKMPW-UHFFFAOYSA-N 453.340 5.132 30 20 JKED Cc1ccc(SCCNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604134061 QFYBJEJLLMNMMT-JOCHJYFZSA-N 463.990 5.151 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)cc1 604288626 JVJCYDINXJJFGQ-BETUJISGSA-N 495.474 5.297 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 604441730 UZUNYMMJNGAWRB-UHFFFAOYSA-N 481.552 6.494 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 609062944 LSGSEXSBOBPHFE-UHFFFAOYSA-N 450.922 5.379 30 20 JKED COCCN(Cc1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080658 RLNFYZBFUBNIQK-UHFFFAOYSA-N 455.967 5.533 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 613623813 ALFHZQNUVBIHLY-NHAGDIPZSA-N 496.448 6.087 30 20 JKED O=C(c1cccnc1SCc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618303139 JUUKPKQBRIPITB-OKILXGFUSA-N 466.422 5.716 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 619321916 CSLNMFWQUBIHFE-CHWSQXEVSA-N 494.407 6.658 30 20 JKED O=C(c1cccnc1C(F)(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517267 FDSHRQTZXNJMNE-AWEZNQCLSA-N 472.307 5.352 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2c(C(F)(F)F)cc(O)nc2o1 642175611 QTAVRRFAEQTLHE-RNFRBKRXSA-N 464.284 5.192 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642956117 NLUJUSKBHNTCAW-OFKSJOQMSA-N 496.336 6.105 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1ccc(Cl)cc1F 644450384 HCHDYZKOWMVOAX-UHFFFAOYSA-N 481.380 5.610 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1 676375510 BIVLOVBNKCEGGI-QFIPXVFZSA-N 483.037 5.639 30 20 JKED C=CCN(C(=O)CSc1cc(C)ccc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 680461977 CTSYTWSVSRZMQI-UHFFFAOYSA-N 472.657 5.142 30 20 JKED CCOc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)C(C)(C)O)c3C#N)C(C)(C)C2)cc1 725935752 YBKHPJRRVBGJIM-BQYQJAHWSA-N 494.613 5.049 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(N2CCOC2=O)cc1 726243422 HLIWAKMBCGAIBQ-IBGZPJMESA-N 472.520 5.127 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc2cc(Cl)ccc2s1 726322606 MXDYIJBMIXQIII-CQSZACIVSA-N 453.932 5.221 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nnc(-c4cc5ccccc5o4)o3)n2)cc1 726325622 SIZRTHHTWCDOCZ-GOSISDBHSA-N 470.510 5.424 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2nccs2)cc1 726416066 RNUDSWDFXVKTPZ-OAQYLSRUSA-N 494.642 5.133 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccccn1)c1cccs1 726418462 DATXOFGCCNHVEF-YKKHSHCJSA-N 482.606 5.433 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCOC(C)(C)C)C2=O)cc1 726421022 NQTMSERCZILTAC-QUHLBDQHSA-N 473.664 5.261 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3c(C)noc3C)C2=O)c1 726422440 WCRRXGFACVULEO-NSJWOJMJSA-N 496.658 5.560 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccccc3Cl)n2)c1C 727561916 QGBUMRBPMQLBGA-UHFFFAOYSA-N 453.951 5.184 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 728062376 MDVLBUJRNBOPCR-LJQANCHMSA-N 496.592 5.890 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 728119841 UDDZJEFIIWUCBC-UHFFFAOYSA-N 478.593 5.214 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)cc1Cl 728777664 KFEPWVMWEOLASA-HXUWFJFHSA-N 488.972 5.142 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(CCCCC#N)C2=O)cc1 728780348 RFMBNGFTEVDEJF-HSZRJFAPSA-N 462.619 5.773 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c1 729633070 VSJHDBLTGMHNDN-QFIPXVFZSA-N 498.530 5.276 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1c(C)noc1C 730444598 OADGJZJAUADYQQ-HSZRJFAPSA-N 476.602 5.057 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730942556 RWPHSTCJAPFJBI-CVDCTZTESA-N 458.587 5.420 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1cccnc1 731304551 VCYWPSFCOCOAIB-PGRDOPGGSA-N 474.586 5.126 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)c1C 731308985 RSZPMTQONLOSMH-DEOSSOPVSA-N 484.581 5.041 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3I)cc2)c1 731331488 HCFQOAXBQBKERI-UHFFFAOYSA-N 485.237 5.116 30 20 JKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 745625672 DGJSJYXZERPFAZ-KAMYIIQDSA-N 480.480 5.300 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1ccc(Cl)cc1Cl 747111624 HSKHDKLPKFPQJQ-AWEZNQCLSA-N 499.206 6.314 30 20 JKED CCOCc1cc(/C=C2\CSC/C(=C\c3ccc(OC)c(COCC)c3)C2=O)ccc1OC 747613258 VDWPDPYEUMEKPA-RNIAWFEPSA-N 468.615 5.560 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 750692355 BIALAOVPQGUTHM-RBBKRZOGSA-N 492.620 5.489 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccnc2)ccc1Cl 783670931 AEYNURMGHRAVCC-HSZRJFAPSA-N 499.995 5.233 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CC(F)(F)F)c1 799214934 PUSJASDFNATHCQ-GOSISDBHSA-N 494.495 5.043 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(C3CCN(C4CC4)CC3)C2=O)c1 837301424 KLWVGBRKKDGFAE-RUZDIDTESA-N 490.673 5.199 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(C3CCN(C(C)C)CC3)C2=O)cc1 837385003 ZHINGBNHNZBHSG-DEOSSOPVSA-N 478.662 5.137 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](C)c2ccccn2)C1=O 837517545 KNXMJYBHBOTFGM-HTAPYJJXSA-N 479.005 5.765 30 20 JKED C=C(Cl)CSc1nc(C)c(Cc2nc(Cc3coc(-c4ccc(OC)cc4)n3)no2)s1 904329916 YDONDCCABNWECK-UHFFFAOYSA-N 474.995 5.524 30 20 JKED N#Cc1ccc(N2C[C@H](c3nc(-c4cccc(Oc5ccccc5)c4)no3)CC2=O)cc1Cl 904591621 PAUIAQZBFIKHMM-GOSISDBHSA-N 456.889 5.574 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)Cc1cccs1 914690083 JDNQVWROODCTHF-JTSKRJEESA-N 479.627 5.348 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C)c(F)c2)c(C)s1 914690571 ZMQFULDKUYAWHL-VBKZILBWSA-N 459.612 5.174 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNCc2ccc(Cl)cc2Cl)cs1 914696726 KGYFVGUUXYNRQH-UHFFFAOYSA-N 453.782 5.912 30 20 JKED C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)C1 915763918 MJDOCOPGCTXESW-RLPNJSHFSA-N 494.639 5.075 30 20 JKED CC(C)c1ccc(-n2c(NN=Cc3c(C(C)C)nn(C)c3Cl)nc3ccccc3c2=O)cc1 915956367 TUDAACDQQMMWSD-UHFFFAOYSA-N 462.985 5.465 30 20 JKED C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccc(OC)cc2)n(C[C@@H]2CCCO2)c1=S 916567697 PJWBIMVGTCOAMB-IBGZPJMESA-N 491.082 5.629 30 20 JKED CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2cccc(C#N)c2)NC(=O)N1CCCCCC(=O)O 916724095 ONQPMASCNVKFNS-DEOSSOPVSA-N 494.979 5.144 30 20 JKED Cc1cccc(COc2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2)c1 916888573 YEZVNQBRNNTLRI-JOCHJYFZSA-N 466.509 5.850 30 20 JKED Cc1cccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)c1 916907478 IJCSEMYVENCVBZ-QFIPXVFZSA-N 467.550 5.801 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1 916912545 BLIXJKIJTKCOON-FQEVSTJZSA-N 482.009 5.011 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 916928990 ZWNDADUYHPUVAA-QGZVFWFLSA-N 488.400 5.137 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 916948850 YJHUBFBWRIFZKV-KOSHJBKYSA-N 481.552 5.077 30 20 JKED COc1cc(/C=C/C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCc1c(C)noc1C 917044096 PRCZBXMXSFDUKL-UKTKYZJWSA-N 493.972 6.032 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1 917046915 VXYSYJGJRALEPK-QGZVFWFLSA-N 453.976 5.891 30 20 JKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 917328789 WYSCGNGQCFRPHC-MHZLTWQESA-N 496.519 5.584 30 20 JKED CC(C)c1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)cc1 917612575 ZSHBMDUCLIEVMA-UHFFFAOYSA-O 490.652 6.883 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cccc(C)n2)cc1 917684841 NVPBNBJEMMGVOL-XMMPIXPASA-N 488.613 5.176 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c1C 918840501 GBFAAKRRLPFQRX-UHFFFAOYSA-N 453.498 5.215 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)c1 919667583 ZAZHRFSVFDRERJ-RUZDIDTESA-N 485.547 5.416 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@H]3c3cccc4ccccc34)nc12 919950824 NXXBRLQXVFADEE-QHCPKHFHSA-N 467.598 5.314 30 20 JKED CC(C)c1ccccc1N=C1SCCCN1C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 919976504 OBPGPOYTUGOBTI-UHFFFAOYSA-N 475.618 5.302 30 20 JKED FC1(F)Oc2ccc(NC(=S)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2O1 920072898 WELLPEGWSNWFNM-MBTKJCJQSA-N 450.351 5.204 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140922 KSAFTPPVDVLUGY-JOCHJYFZSA-N 471.973 5.557 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)n2)cc1 920142095 JZLGPBASKLTDHG-MDNXRPTBSA-N 471.420 5.729 30 20 JKED N#C[C@@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 920806617 MQBUWYFIMYMJPT-AWEZNQCLSA-N 458.511 5.338 30 20 JKED C[C@@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1)Oc1ccccc1 1785882623 KPRDWXNXSYDIIE-NRFANRHFSA-N 467.569 5.092 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc5ncccc5c4)cc3)CCC2)c1 1786556974 NEMGOQXYNBTXHA-UHFFFAOYSA-N 460.537 5.097 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4)cc3)CCC2)cc(C(F)(F)F)c1 1787312944 DCJXPYRQGXLVNM-UHFFFAOYSA-N 464.447 5.034 30 20 JKED CN(Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1)C(=O)OC(C)(C)C 1787889098 JVJNBEVGYLGMJR-UHFFFAOYSA-N 490.604 5.105 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnc(C(F)(F)F)cn3)cc2)CCC1 1788389091 TVFURPSSFVVTIU-UHFFFAOYSA-N 458.484 5.012 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CN(C(=O)OC(C)(C)C)C3CCCC3)cc2)CCC1 1788524450 IUWHQCZVQSENDE-UHFFFAOYSA-N 495.664 5.494 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)c1 1788787692 HJQHPKSLOJXWOM-UHFFFAOYSA-N 478.474 5.342 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)OCO5)CCC3)cc2)c1Cl 1790083923 QECZYJGBZSNDNK-UHFFFAOYSA-N 473.916 5.002 30 20 JKED COc1c(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)cc2ccccc2c1Cl 1790092391 HSNDUDHSWAYPIE-UHFFFAOYSA-N 473.960 5.553 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)[nH]c2c1 1790289958 GBVLRYNDPIDDSH-UHFFFAOYSA-N 464.525 5.110 30 20 JKED COc1ccc(Cl)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790708011 NBSYFOSAKDXXQB-UHFFFAOYSA-N 473.960 5.476 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)CCC2)cc1 1791581985 MFIOFWRSPUVNFB-QFIPXVFZSA-N 469.626 5.008 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)CCC1 1792173282 QPECRZJOOYHMFT-UHFFFAOYSA-N 492.469 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(CC(C)C)oc2ccc(OC)cc12 1796430439 JIMUYSKXXFIJOT-KGSLCBSSSA-N 478.633 5.660 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn(C(C)C)cc1C(F)(F)F)C2 1798333619 LRPGLZWOTQTELU-RDGPPVDQSA-N 451.533 5.108 30 20 JKED CC(C)(C)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C/N=C/c2ccco2)cc(C(C)(C)C)c1 1798521176 MNAKKEVUQOZPCW-IEHVHWBWSA-N 477.649 5.246 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(C#N)c3)C4)ccc21 1799315557 LIOASBYQAJEWIX-BKFWDETESA-N 476.580 5.252 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1802496674 MBEOYFXVTHPXQK-QPPBQGQZSA-N 487.566 5.341 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)[C@@H]1c1cccnc1 1802501188 IQEVWWLOIXAFRD-LATFHXTDSA-N 482.024 5.152 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1803087504 CDKRRSQEVVAVMT-ADXHGGABSA-N 478.036 5.313 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1803603089 GUDFPZFFBUKLJK-RZFJZAQRSA-N 489.641 5.148 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@H]1c1cccnc1 1804860854 IYSRMZFCWCYUJS-UFHPHHKVSA-N 498.627 5.173 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)/C=C/c3cc(F)cc(OC)c3)CC2)C1 1804865973 DJWMKJTUYBHLGV-CMDGGOBGSA-N 456.602 5.071 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)CC2)C1 1805048177 BQWFDAOIPQDFFT-XMMPIXPASA-N 479.571 5.279 30 20 JKED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1806621088 MAVFDWCUWWFUDE-NGQVCNFZSA-N 499.570 5.352 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC4(CCN(C(=O)c5cccc(C#N)c5Cl)CC4)C3)sc2c1 1808827570 WTIYABHCBZHOSO-UHFFFAOYSA-N 493.032 5.288 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1808900342 DDLWIOKMQDAWNG-GJZUVCINSA-N 493.051 5.533 30 20 JKED Cc1cccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)[nH]c12 1809748654 VOQXPMFGNKYFFI-LVXARBLLSA-N 497.986 5.030 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)CCC2CCCC2)[C@@H]1c1cccnc1 1810275199 SEURYIOCKXWYTM-RPLLCQBOSA-N 467.730 5.109 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cc4ccc(F)cc4)cc3)[C@H]2c2cccnc2)C1 1810511529 QXBMYLNYYUDLMU-LEAFIULHSA-N 483.587 5.097 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@@H]3CCN(C(=O)CCC#N)[C@H]3c3cccnc3)cc2)cc1 1810602699 VSYGDCYFKQOJRB-JDXGNMNLSA-N 494.639 5.715 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1811181973 PXWDDNFGWXECHL-XCZPVHLTSA-N 486.660 5.160 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1)c1cc2scc(-c3ccccc3)c2[nH]1 1811302885 DNMCUXMBBXIRIV-DWACAAAGSA-N 494.620 5.024 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@@H]1c1cccnc1 1811850804 UUZQRMIRCFVVEG-XCZPVHLTSA-N 487.720 5.330 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1812199916 PGULJOVNFXPHHH-REHUZNOOSA-N 475.614 5.090 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3c[nH]c4c(Cl)cccc34)[C@H]2c2cccnc2)c1 1812236315 BUFISZDAERXUDS-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@H]1c1cccnc1 1812589342 BRMIPDFZDVERKB-BBVXACFBSA-N 485.628 5.310 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@H]1c1cccnc1 1812596147 IRMIQWPWEPVCEO-GWJPWWOOSA-N 486.443 5.338 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)[C@@H]1c1cccnc1 1813231769 XGPYYBKCISASSL-UZUQRXQVSA-N 476.379 5.041 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1813768580 OUGMPWMPZOFOBW-LZFQIVBZSA-N 460.405 5.229 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc3ccccc3n2C)[nH]n1 1814439791 CROPVOUNKYXHNP-QHCPKHFHSA-N 461.610 5.129 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814738373 AJWQUMRIKIAKES-UWJYYQICSA-N 493.658 5.149 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1815219555 OQXRVZQQBOBTCR-SJKOYZFVSA-N 485.799 5.267 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccoc3c2)n[nH]1)c1ccccc1 1817926050 ZXEVMBOGXQWRKO-URXFXBBRSA-N 481.556 5.054 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)nc4ccccc34)n[nH]2)cc1 1818605164 SNIKVKFHZUKAJA-QFIPXVFZSA-N 484.947 5.103 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ncoc3c2)n[nH]1)c1ccccc1 1818748957 SCMNIWXSLIYIEU-URXFXBBRSA-N 481.556 5.054 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)[nH]n1 1819303500 JXFLJPQRUPHLNL-SNGVDCEUSA-N 457.578 5.365 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1819309069 LPZCJCDSQUWIKA-NFBKMPQASA-N 477.996 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1819311063 JWDXPIZFQAXBET-FYYLOGMGSA-N 475.593 5.143 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)[nH]n1)c1ccccc1 1819520512 KMJAWAINNNRQRX-MUEFHYHUSA-N 481.600 5.098 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820150444 LEHCINGIWVOTFM-XMMPIXPASA-N 479.584 5.439 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3sccc3Cl)[nH]n2)c1Cl 1820220107 LBNUYXMLQCLZDA-MRXNPFEDSA-N 474.373 5.269 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437266 COMWSVGIHUVQDI-WMZHIEFXSA-N 489.576 5.309 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1C 1820541451 VVLMGHDMQRFERJ-DVECYGJZSA-N 455.562 5.273 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)Oc2ccc3ccccc3c2)n[nH]1 1820715618 CUDNGEOHKGTXPO-DEOSSOPVSA-N 472.589 5.216 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C(F)(F)F)c3F)n[nH]2)c1 1821087758 IDIAMGZKKSIIAR-LJQANCHMSA-N 485.441 5.059 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2CSc2ccccc2)n[nH]1 1821265596 UEMBJNKKJPZEOE-DEOSSOPVSA-N 472.614 5.421 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)[nH]n2)c1 1821275097 CPQCOXUOHIYPPW-JOCHJYFZSA-N 491.954 5.112 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccccc3)[nH]n2)c(Cl)c1 1821279807 IWEWXJFXUUSLAW-QTEQDKRBSA-N 473.964 5.044 30 20 JKED Cc1ccccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310365 QVCFIPJIEMVXKX-OAQYLSRUSA-N 481.478 5.228 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)Sc3ccccc3)[nH]n2)c1 1821321275 DQRZGGCPLQLEIC-MBSDFSHPSA-N 473.602 5.077 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1821920454 IHSXFUGDVSQVHH-FOIQADDNSA-N 451.958 5.129 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc3ccccc3c2)[nH]n1 1821985154 FLCZJIMFFHVJOH-OAQYLSRUSA-N 452.505 5.009 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c1 1823217565 NDZLCIHLLXPKSF-YCRPNKLZSA-N 479.943 5.449 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2SCC)CC1 1823659956 OMRZDEMIWCRCLQ-GGAORHGYSA-N 455.668 5.195 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1823750982 YKXMCEPPOLKSLP-RUZDIDTESA-N 482.665 5.270 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2Br)CC1 1823754159 YWEQRSIWNVJHBH-FQEVSTJZSA-N 476.459 5.070 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 1824146126 QYZLOIGQOIRNAJ-VWLOTQADSA-N 450.623 5.013 30 20 JKED COc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1826373387 DVQIDMWPVGIVLE-SANMLTNESA-N 494.035 5.086 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)cc1 1826472005 VZLKAUUKMZPPMX-SANMLTNESA-N 478.036 5.007 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826671633 QNJUMVIZUMUJPE-GOSISDBHSA-N 482.440 5.420 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1826950237 AWQFZYGQCMUSNR-DANFDKMISA-N 477.693 5.439 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)[nH]c2c(Cl)cccc12 1827519748 KZJZETUFFUIDDH-XMMPIXPASA-N 489.019 5.549 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828167896 JMTMURNVEPSXFE-RUZDIDTESA-N 479.690 5.058 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1828169425 MFRXOOFWXOJVIV-VGOFRKELSA-N 486.454 5.376 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1828216315 JQHKTQKFUBNHPR-SANMLTNESA-N 499.611 5.185 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)c1 1828512391 AEOYTCILOCQQAA-SANMLTNESA-N 490.554 5.173 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1828821954 ABKZRSMQEUWFMY-BDYUSTAISA-N 477.624 5.823 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2F)CC1 1828903367 FSPCYDIBZGLSCQ-OAQYLSRUSA-N 462.707 5.172 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(Br)c2)CC1 1829069473 YYMLYKNVBZKBID-FQEVSTJZSA-N 476.459 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419405 NIVVHIIPDWCFID-BJKOFHAPSA-N 477.674 5.812 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685734 ORNWTXMPBJRPDQ-DEOSSOPVSA-N 481.040 5.023 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829702251 ZICSJUTXTPAYBW-VGSWGCGISA-N 474.001 5.120 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)CC1 1830637412 MOEPJOILKQWXNM-LOSJGSFVSA-N 461.606 5.343 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2F)CC1 1830685914 FHDNIWKKILQUGV-IBGZPJMESA-N 471.798 5.051 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1830720853 JFORNRUXTFUUBX-QFIPXVFZSA-N 489.925 5.176 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721075 WDXANNVUCSDOAO-VWLOTQADSA-N 481.040 5.023 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830781283 QIBCKQBYCLZKOG-OAQYLSRUSA-N 469.478 5.454 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978581 RPFIYZPQIRDICR-NBGIEHNGSA-N 489.616 5.252 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)c1 1830979748 LRXSDNLHDUYDGM-RUZDIDTESA-N 495.583 5.175 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1831443943 FIZHECDGZKERRE-VLYJIQRVSA-N 485.619 5.196 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831850345 CMVWKCDUORHDHQ-HSZRJFAPSA-N 467.009 5.637 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1832665848 AJCWKBBPELWDQU-VWLOTQADSA-N 494.035 5.086 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccccc4C4CC4)CC3)CC2)c1 1838819845 DWGBLMNWGAFMNB-OAQYLSRUSA-N 485.628 5.117 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2Cc2ccccc2)cc1 8658015 OBDHCNFGRXZLGL-UHFFFAOYSA-N 487.654 5.955 30 20 JKED C=CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 9397810 LHSGMWUHIGEANM-UHFFFAOYSA-N 471.630 5.662 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)nc2ccccc2c1=O 10093370 OXODYWGOAOQJRZ-LJQANCHMSA-N 492.651 5.176 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 10212738 JHZRPMLQBGIJAE-UHFFFAOYSA-N 457.534 5.112 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10759189 HZCDHNCZMHBOBC-UHFFFAOYSA-O 463.932 6.048 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1cccc(O)c1)c1ccc(Cl)cc1Cl 10825444 NQDGQASVQSUZKL-UHFFFAOYSA-O 452.770 5.691 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2cccc(O)c2)cc1C 11160093 CTKCHEURKOJUOM-UHFFFAOYSA-O 456.385 5.110 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1Cl 12478390 FGQMKPWASMEDAB-UHFFFAOYSA-N 469.014 5.365 30 20 JKED C=CCn1c(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2sc3c(c2c1=O)CCCCC3 16251941 SIMONWIISPQRGH-UHFFFAOYSA-N 485.034 5.095 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)n2C2CCCCC2)cc1OC 22118881 IJONFNUCUYHIMC-GOSISDBHSA-N 497.665 5.291 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 22731729 NUSGKHYMXWGBLD-UHFFFAOYSA-O 481.466 5.764 30 20 JKED COCCN/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 22793192 SXYPWFIIHFPDHX-UHFFFAOYSA-O 461.651 5.037 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22801368 UUDYOQXTXXJCGR-UHFFFAOYSA-O 475.678 5.668 30 20 JKED Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)n2Cc2ccco2)c1 26489746 LPCLJLNMEKBWHO-QFIPXVFZSA-N 499.640 5.939 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2sc3c(c2c1=O)CCC3 28682072 YBMSYFPQBOQMEE-LLVKDONJSA-N 463.987 5.045 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2ccc(C)cc2)cc1 28793679 WVNOPORIFXMSNU-UHFFFAOYSA-O 478.638 5.408 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1C 29357249 GRNATXGASLMGLY-UHFFFAOYSA-N 471.586 5.242 30 20 JKED COc1ccc(-c2nc(S[C@H](C)c3nc(-c4ccc(C)c(F)c4)no3)nc(O)c2C#N)cc1 71858356 PRGRDIBGBNCSBA-CYBMUJFWSA-N 463.494 5.080 30 20 JKED CCOc1ccc(-c2nc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)cc1 106035071 MDTMQUZVPCRFBZ-UHFFFAOYSA-N 479.612 5.477 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)c2)c1 107619561 JMQKBDMECWITTG-FQEVSTJZSA-N 480.490 5.406 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Br)cc2)nnc1-c1ccccc1F 195568801 YUGAUALWIYIDML-CQSZACIVSA-N 475.387 5.002 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc12 195662360 GSVLXOGTHFFSNF-SFHVURJKSA-N 475.986 6.057 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc(-c2ccncc2)cs1 195662597 SGGJUGKGQICZRM-DLBZAZTESA-N 485.396 5.241 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 195665407 KAGPZMOGUHZIOY-SLLRVGBYSA-N 469.629 5.370 30 20 JKED C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 218648390 KVERSCASXLELDY-CQSZACIVSA-N 490.585 5.066 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccccc1F 218657304 DYKLFRMIHKGXFI-ROUUACIJSA-N 460.578 5.781 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 302948369 AAISQXSJMBJLDG-UHFFFAOYSA-N 467.594 5.917 30 20 JKED Cc1ccccc1-n1nc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c2c1CCC2 303070444 WYGZHSZHTWZUDM-UHFFFAOYSA-N 461.525 5.046 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 303182322 KWHGAZLOPSYTFQ-UHFFFAOYSA-N 454.574 5.232 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1Cl 410283411 LYGGFEJIWDLDQX-DEOSSOPVSA-N 472.976 6.056 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 481855482 JZODIZBCDPTPGX-UHFFFAOYSA-N 461.465 5.649 30 20 JKED Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1F 482384519 LEMWJXARRCDVKN-UHFFFAOYSA-N 490.419 5.340 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 483372102 DJEGRQLHXVDWAL-UHFFFAOYSA-N 496.007 5.806 30 20 JKED CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)nnc1-c1ccc(Cl)cc1 487844423 RFQCLPGKAFXGOM-UHFFFAOYSA-N 493.942 5.173 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CSc2cccc(C(F)(F)F)c2)cc1 490646042 DVKVZRYHIBUDQS-UHFFFAOYSA-N 456.489 6.081 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)CC1 491394904 KSALNXWPAWWQRJ-UHFFFAOYSA-N 475.455 5.106 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 493006359 DBCVJYBZWHFHBM-UHFFFAOYSA-N 490.610 5.335 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCSCc2ccccc2C#N)cc1OC 498813901 YWEIQKLPNBBTKA-UHFFFAOYSA-N 498.608 5.091 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cn2)C[C@@H](C)O1 499644237 SLAYBSVGOUBOPC-YDIMBITNSA-N 490.007 5.326 30 20 JKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nc2scc(-c3cccs3)c2c(=O)n1CC=C 501584273 YVEFUYPGENBPRL-HNNXBMFYSA-N 457.646 5.054 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC(C(=O)Nc5cccc(C#N)c5)CC4)cc3)o2)cc1 502249608 DLQIWFDMCYXKEH-UHFFFAOYSA-N 491.551 5.075 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nnn1-c1ccccc1Cl 504905175 DQYGOJAXBMDECZ-UHFFFAOYSA-N 461.884 5.071 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 508156591 AAPJSFKPIFNEBH-UHFFFAOYSA-N 493.405 5.318 30 20 JKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508289672 PXZSETABLUWOLS-UHFFFAOYSA-N 458.518 5.024 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)ccn2)cc1 510693224 OOTBAAYAKPBMGK-UHFFFAOYSA-N 466.497 5.868 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(OC(F)F)c1 511403795 FFBFWGJPEDQBBL-QGZVFWFLSA-N 451.473 5.816 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc2ccccc12 511421197 FLGLUWWBQUMEMP-BVZFJXPGSA-N 467.956 5.965 30 20 JKED N#C[C@@H](C(=O)c1occc1CS(=O)(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 513248781 IWPFHXPBFGXZMS-INIZCTEOSA-N 484.505 5.145 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1cccc(C)c1 514322204 DNRKHDFTQNYFMU-INIZCTEOSA-N 465.648 5.452 30 20 JKED Cc1nc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)sc1Cc1ccccc1F 515630769 GKKYGXIUXWNLEF-UHFFFAOYSA-N 491.548 5.156 30 20 JKED N#Cc1cc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)ccc1OCC(F)(F)F 516079749 VTDKUQFKBDRMSQ-UHFFFAOYSA-N 465.859 5.280 30 20 JKED N#Cc1ccc(NC(=O)C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1Cl 517188200 SMKUISCLHCOGLE-UHFFFAOYSA-N 458.732 5.363 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518742057 SWXMPROVSVRBAR-AREMUKBSSA-N 466.541 5.154 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1cc(-c2ccc(Cl)cc2)no1 519431929 WZMDRKZAQCZYGW-HNNXBMFYSA-N 458.008 6.119 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1C 519947352 SOBOPGXFCSIHIC-UHFFFAOYSA-N 467.598 6.020 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)CC1 520001638 KQLPQZUGZWDQAF-LJQANCHMSA-N 499.596 5.390 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCc4ccccc4)CC3)cc2Cl)cc1 521186957 OBEBOKDZGYACTF-UHFFFAOYSA-N 461.949 6.217 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 524388586 MJQANZWVDNLVDY-UHFFFAOYSA-N 495.373 5.868 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)n1 603946614 OFGCBZMJYKWEPD-UHFFFAOYSA-N 472.979 5.217 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)c2)c1 604085700 NZJWBLTYRSRCJS-HSZRJFAPSA-N 460.921 5.069 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)cn2)c1 604134855 CRNDRPNZAAHBHN-RUZDIDTESA-N 482.927 5.243 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C(c1ccccc1)c1ccccc1 604141392 JGEOHFUCOYUHBR-HXUWFJFHSA-N 476.536 5.021 30 20 JKED CC(C)(C)c1nc2cc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)ccc2o1 604437949 IWLUEQDERBAIOS-UHFFFAOYSA-N 484.581 5.980 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 608970774 CISYVVRVYHXVSJ-AREMUKBSSA-N 485.971 5.379 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)s2)cc1 608994267 JCKVQGYDHUCJSK-GOSISDBHSA-N 489.985 5.100 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc(C2CC2)no1 609047254 VYZUCLJUWKYBLZ-FQEVSTJZSA-N 451.914 5.783 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSCc3cc(-c4cccs4)on3)cc2F)c1 609104030 CKNUUBJBWUFKTK-UHFFFAOYSA-N 479.558 5.865 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)n1 609208659 CYWCOTUFTHQSBP-UHFFFAOYSA-N 453.502 5.327 30 20 JKED C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)NC1CCN(CC#N)CC1 609340355 QPUVJYIBBRYUAE-LAUBAEHRSA-N 461.997 5.027 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccco1 609401767 SWEAGJGJRDAJDO-UHFFFAOYSA-N 487.503 5.472 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c2ccccc12 609563013 FBOAGMCCRQJBCD-UHFFFAOYSA-N 487.625 5.541 30 20 JKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1[C@@H]1COc2ccccc2O1 612653184 DGVOOVGLUJEORH-KRWDZBQOSA-N 481.603 5.251 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)c(C)c1 613043893 ZKTPIXOEEYFCSU-UHFFFAOYSA-N 481.596 6.075 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1NC(=O)c1ccc(Br)cc1 613292743 UMEGFBOFLKFBCT-NRFANRHFSA-N 484.353 6.048 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319018 MLXHNHOMALXPIB-SFHVURJKSA-N 463.971 6.267 30 20 JKED O=C(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618365681 JUJUGRYZIQZRBN-STQMWFEESA-N 485.350 6.047 30 20 JKED N#C[C@H](C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2cc(C(F)(F)F)ccc2s1 623584320 GBKYFUPFOOABEJ-CYBMUJFWSA-N 487.894 5.917 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)nc2sccc2c1=O 645080319 UJIMHPDUWAWBPR-NWDGAFQWSA-N 470.645 5.332 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccc2)cn1 726111575 LCFBGIRENATZLF-NRFANRHFSA-N 482.009 5.025 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1Cl 726406928 MWZKENYYBXDKDY-JOCHJYFZSA-N 492.963 5.511 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(OC(C)C)cc1 726416199 SQSAWDXPKJGUOC-HXUWFJFHSA-N 461.534 5.122 30 20 JKED C[C@@H](OC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 727887805 UZPACLJBFBECRP-CJTWTEFWSA-N 450.560 5.013 30 20 JKED CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 728163730 ZYWIGTWQSGNWOD-LITSAYRRSA-N 477.612 5.023 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cs1 728372358 MFCRNSAHYBZGCK-UHFFFAOYSA-N 488.544 5.603 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ncccc3C)C2=O)cc1 729633342 DBFCKGIANZZZLV-DEOSSOPVSA-N 486.597 5.062 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc(F)ccc2F)C1=O)Nc1ccccc1F 729634245 JUEJNGNRGHRRFJ-NRFANRHFSA-N 469.488 5.264 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c1ccccc1 729887993 AAMAWCMESWOIGK-PKOBYXMFSA-N 455.942 5.034 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729889651 RVCFPZXZCYAXSD-CQSZACIVSA-N 479.816 6.947 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 730493401 HUTIUOCBDZYPAB-JOCHJYFZSA-N 496.350 5.006 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730687507 OFJFPXXGZGUALE-GOSISDBHSA-N 453.514 5.259 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 731075077 UYAKCKLFQJVIEK-ZDUSSCGKSA-N 477.464 5.256 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@H]2CCOc3ccccc32)C1=O)NC1CC1 731152886 VLBYTENLLLYJMZ-CJFMBICVSA-N 485.609 5.006 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 731288525 TYRPKHKHUGVQOC-DOTOQJQBSA-N 457.477 5.044 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCC2=CCCCC2)c1 731308230 MEEFFSZUPFBBHW-HSZRJFAPSA-N 479.602 5.252 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1C1CC1)c1ccc(Cl)cc1Cl 731316253 UVZXVCBNJLNLNA-OWAPPYRXSA-N 478.401 5.251 30 20 JKED C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1)C(=O)O 745022153 XTEMZVYVJKPZQM-MEODZPNASA-N 484.335 5.994 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccccc2Cl)n1 746234424 DWJDBTRTBNZOII-UHFFFAOYSA-N 458.992 5.466 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747111556 CLDPGAWNLJWDQF-IBGZPJMESA-N 486.424 6.132 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 748621191 IUVMWMOBTXJJKQ-LJQANCHMSA-N 464.865 5.681 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(NC(=O)OCC)ccc23)nnc1-c1ccc(F)cc1 801222480 ZACFTPXKJBCAOW-UHFFFAOYSA-N 480.521 5.237 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837659672 GCDPXBVQVBKKRU-SBUREZEXSA-N 494.567 5.698 30 20 JKED C[C@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 849191813 WQYMZGHGTHSQQY-XYLCRUHJSA-N 470.529 5.201 30 20 JKED O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N1CCCSC1=Nc1ccccc1 871595893 XROJVONGOYVMTI-UHFFFAOYSA-N 486.626 5.075 30 20 JKED N#C[C@]1(c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)CCCOC1 904670756 QNEIMZKDXYHXFW-LJQANCHMSA-N 450.804 5.168 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)c1cccc(Br)c1 913115383 UADNKYHPUOJCAU-GOSISDBHSA-N 480.815 5.285 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N([C@@H](C)c2cc(C)sc2C)C1=O 914694407 JEXZUZPZWUGJFK-YVEFUNNKSA-N 485.553 5.092 30 20 JKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(NC(=O)NC2CC2)cc1 915049301 MWPWHFRRMZBNPH-UHFFFAOYSA-N 460.538 5.617 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 915086126 HMBVNPYAJAADKA-NSOVKSMOSA-N 459.549 5.322 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cccc(OCc2cccc(C#N)c2)c1)CCCCC3 915943905 NBCZMVDVBRKFTK-UHFFFAOYSA-N 468.582 5.368 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 916054910 FRTLUEKUNBDTJC-UHFFFAOYSA-N 491.407 5.002 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)/C(=C\c3cccs3)n3nnnc3-c3ccccc3)cn2)cc1 916074416 SBVFWOWGNAAZMS-HZHRSRAPSA-N 491.536 5.097 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(C[C@H]2CCCO2)C1=O)Nc1cccc2ccccc12 916207372 ZFHQMUBBGTVDJK-JPYJTQIMSA-N 477.561 5.118 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)c(OC)c1 916209382 KLKFKABWZUTOSA-NRFANRHFSA-N 499.976 5.111 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 916708308 SYKNTOPBVFDGAF-BJKOFHAPSA-N 460.375 6.474 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(SC(F)F)cc1 916885714 APHVNTFHHSWPOF-MRXNPFEDSA-N 475.904 5.590 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1)c1ccccc1 916888570 WPJXDVPSTQWQNP-QRWLVFNGSA-N 467.497 5.497 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 916903320 MMUQATCEGJPKAM-HSZRJFAPSA-N 480.486 6.584 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977066 IDTLVNLARVCNEY-FQEVSTJZSA-N 494.045 6.136 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)C2)c1 917046319 JCYBADADTHKNRQ-APWZRJJASA-N 451.979 5.295 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@H]2c2cccc(F)c2)c1=S 917486649 LZQWOIHGEUBVHJ-UGKGYDQZSA-N 452.555 5.046 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2cccc(C)c2)C=C1 917607401 UGTMJLOTWVGMNP-UHFFFAOYSA-O 475.634 6.065 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@H](C)c2ccccc2)cc1 917610547 UEWNIQDDBSPQST-HXUWFJFHSA-O 474.650 5.641 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccc2OC(F)F)C1=O)NC1CC1 917702378 SOHOIOSTTBALHE-JOCHJYFZSA-N 495.551 5.242 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 918290411 WCWKMSBCKCBPBE-GDLZYMKVSA-N 473.576 5.552 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccoc2)ccc1Cl 918396134 YUGYFBRGUTWVGR-UHFFFAOYSA-N 479.385 5.240 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 918487364 MYFQSHVJEGJWSK-SFHVURJKSA-N 496.748 5.316 30 20 JKED C[C@@H](OC(=O)c1ccc(F)cc1NC(=O)c1ccoc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919491031 YBCIKWHRYQZQQN-CQSZACIVSA-N 495.532 5.057 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 920105969 OSKBJJRXNCMDCA-GOSISDBHSA-N 450.420 5.195 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 920106526 QYTPXVYRMSROLX-GOSISDBHSA-N 451.486 5.267 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 920139824 YYWCIKFPEGNGCQ-IEBWSBKVSA-N 478.549 5.078 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1c(C)noc1C 920354727 FNFXCPFAEIBRRH-QHCPKHFHSA-N 492.601 5.077 30 20 JKED N#C[C@@H](C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc(-c2c(F)cccc2F)cs1 920804569 VSIMWQALMYVGNW-HNNXBMFYSA-N 459.905 5.128 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 920872269 KCCSATWUJMOIOD-QHCPKHFHSA-N 475.474 5.868 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2cc(Cl)ccc2Cl)C1 1781611488 XCAVYIXMFMCBRB-POGFHVCPSA-N 493.475 5.208 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(F)ccc3Br)cc2)CCC1 1785957867 BYXQZAALMBEBSZ-MZJWZYIUSA-N 498.352 5.048 30 20 JKED CC1CCN(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)CC1 1786271613 OQMQMXKXNRKIFI-UHFFFAOYSA-N 498.549 5.057 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)ccc1F 1787074984 MFUIWQXEDHUTGV-UHFFFAOYSA-N 486.547 5.250 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)CCC1 1787701980 DTEKWDQSVNOOCN-HXUWFJFHSA-N 457.574 5.317 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCCC4(F)F)cc3)CCC2)ccc1F 1789166409 MIQRKGOXYCIFAZ-RUZDIDTESA-N 487.497 5.292 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc4nc(Br)sc4c3)cc2)CCC1 1789341475 PUBLLRWTZPRVKY-UHFFFAOYSA-N 483.391 5.110 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)[nH]4)cc3)CCC2)c(Cl)c1 1789674267 KCIJOGJXHMVFJR-UHFFFAOYSA-N 486.881 5.620 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)NC1(c2ccc(NC(=O)c3cncc4cnccc34)cc2)CCC1 1790007536 GIQXDMSFOVWSBJ-UHFFFAOYSA-N 480.955 5.083 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cccnc45)CCC3)cc2)c1 1790072947 DJVNNFUKVUOMIU-UHFFFAOYSA-N 476.536 5.177 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5cccc(C#N)c5Cl)cc4)CCC3)c2n1 1790082650 JRKDRNBJWLVYTI-UHFFFAOYSA-N 499.958 5.158 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4-c4ccccc4)CCC3)cc2)cc1 1790289675 MWKHKBAYOWPBSO-UHFFFAOYSA-N 472.548 5.682 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3n[nH]c4cc(Cl)ccc34)cc2)CCC1 1790372786 ARKZBLFVFBITBR-UHFFFAOYSA-N 472.923 5.104 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1 1790510974 BSYIUYLMVJYNHA-UHFFFAOYSA-N 492.469 5.102 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)c[nH]4)CCC3)cc2)c1 1790763712 JOWAJUWFPNRRIM-UHFFFAOYSA-N 470.426 5.106 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)CCC2)cc1 1791252044 GSPRHZXQLSJESA-SIKLNZKXSA-N 469.626 5.192 30 20 JKED Cc1nc(F)ccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792125317 VPKFEYLTSLYETM-KRWDZBQOSA-N 456.521 5.218 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3scnc3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204092 KPTICYOWGCKHSG-HXUWFJFHSA-N 498.649 5.059 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1ccc(Br)cc1)C2 1793051788 COJHZQTUFXHLEH-KOUNCHBCSA-N 489.454 5.015 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)C1CCC(F)(F)CC1 1800504939 GYAPKLPEPRSGJS-OOSCYNTBSA-N 476.567 5.164 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(F)c(Cl)c2)c(Cl)c1 1800709593 ZYTQGLWKUIMAQB-QDMKHBRRSA-N 480.754 5.223 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)cc2C)c1 1800791302 PCDVBMLGWCTAIL-REPLKXPHSA-N 456.373 5.048 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2 1802631749 BUFXVPHEVHAAIZ-BKFWDETESA-N 460.643 5.424 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1803565836 OSIOFHBRBJBQHA-XRKRLSELSA-N 483.612 5.051 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)c1ccc(F)cc1C(F)(F)F 1804138991 MGIZKMFLBPTLNC-JMGPTOKJSA-N 494.451 5.465 30 20 JKED O=C(CCC(F)(F)F)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)C1 1809482691 XZVMCYIOQFGKFY-UHFFFAOYSA-N 468.413 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810458961 UMXQOTCLKKHJIG-SXOMAYOGSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1811228628 FGBAMWXLQJMDEZ-LGPLSSKUSA-N 475.633 5.347 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@@H]1c1cccnc1 1811261844 KMNDRCHMXMVYQN-YTMVLYRLSA-N 496.655 5.577 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)c1 1811953852 UYKBTIHFLOJKFB-VPUSJEBWSA-N 466.585 5.019 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1813226947 WOAVDAPTPFCVPT-POURPWNDSA-N 497.614 5.325 30 20 JKED Cc1cc(C)cc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1813869987 WBGULNAQFGFMSF-PMEHDDBTSA-N 494.639 5.278 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1814571623 QHSYEEOVKCRGMA-HNNXBMFYSA-N 468.772 5.226 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3CCC(F)(F)CC3)n[nH]2)c1 1815023182 QZFWXSMNZSLCMN-IIBYNOLFSA-N 469.536 5.168 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]n1 1815246031 FJIGOUNUYNQLLJ-AEFFLSMTSA-N 499.862 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(OCC(F)(F)F)n2)n[nH]1 1816131071 VUSPOTPGEXUWDY-SFHVURJKSA-N 493.530 5.044 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(C(F)(F)F)o1 1816472522 UWXQFORFWYYMLX-JLTOFOAXSA-N 499.493 5.577 30 20 JKED CCCCC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818117267 GDIRMXPYXYTXCE-LNJMBMCMSA-N 456.612 5.119 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818163893 KPMLSKZUCFGQKW-SFHVURJKSA-N 465.941 5.179 30 20 JKED CC1=CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)CC1 1818805582 NMBFBOGTAGJPNT-RBBKRZOGSA-N 454.691 5.199 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)n[nH]2)cc1 1818931293 NIXGKXDYJPLZRG-JVICHNFNSA-N 473.621 5.388 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)[nH]n1 1819309296 RFXQDPFFWQNSBR-KXBFYZLASA-N 490.526 5.300 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1819310065 OUQVHQQWAFFGNZ-DYESRHJHSA-N 492.517 5.571 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)[nH]n1 1819552861 GWPPRSXGFWGNIX-QHCPKHFHSA-N 461.610 5.427 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)Oc1ccccc1 1820221605 ZAHNVUVZQQGPFG-HTAPYJJXSA-N 491.979 5.098 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccoc2Cl)n[nH]1)c1ccccc1 1820392683 IPHROVURBJLGQK-GHTZIAJQSA-N 464.953 5.159 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1820484866 IVLWEMOHTCTUOL-QGZVFWFLSA-N 461.572 5.177 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1)C(F)(F)F 1821090408 SKCSJCAEJQQUJW-HNNXBMFYSA-N 494.823 5.506 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccc(C)cc4s3)n[nH]2)c1 1821527946 NINSNESISKDZCC-QFIPXVFZSA-N 499.596 5.433 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)[nH]n2)c1 1823213001 OEQZOAJJKCTLOK-VLIAUNLRSA-N 497.386 5.358 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824055905 HGVPEIBIULGIEI-RUZDIDTESA-N 494.035 5.086 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824838897 BDFGZJDTXFXXRH-SYZQTXEJSA-N 482.612 5.293 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825959822 ZQCPALPJBLWFSI-OAQYLSRUSA-N 466.544 5.609 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1826381788 PCPWBMWVFYRBLX-AREMUKBSSA-N 480.649 5.046 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1827172144 ITEYVROCCABTQA-PZGXJGMVSA-N 496.655 5.661 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1)C(F)(F)F 1827736763 YUJJTPMHOBLERN-HXUWFJFHSA-N 494.941 5.952 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc4ccccc34)CC2)c1Cl 1827999213 RSGXWDVPBGOBES-VWLOTQADSA-N 487.003 5.307 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)cc1 1828550366 SRFCHBGFOPLFEZ-HXUWFJFHSA-N 463.628 5.382 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(Cl)cc2Cl)CC1 1828824107 JYLYSHMOETVTGM-CTNGQTDRSA-N 464.437 5.390 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829454170 JWIHDECAPHHSMT-HNNXBMFYSA-N 465.393 5.500 30 20 JKED CCOc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689424 DKRJHFJHPWFGAE-XMMPIXPASA-N 480.008 5.157 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1)C(F)(F)F 1829784046 BANMJHCCTJGNOG-JOCHJYFZSA-N 489.513 5.240 30 20 JKED O=C(c1ccncc1F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601885 KUANYOBQFVGASH-LJAQVGFWSA-N 495.598 5.168 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)c1 1830718121 AJOQVVCWRHVQHA-VWLOTQADSA-N 494.517 5.004 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)c2[nH]1 1830721520 HQXUWQMSXBOJPN-RUZDIDTESA-N 489.019 5.549 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)c(C)c1 1830770087 IZBYAVBEQFYRBF-AREMUKBSSA-N 473.617 5.039 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830993045 SZQLAJUIPNKOQZ-VWLOTQADSA-N 474.004 5.106 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 1831374834 UPQYSOOIYIROEU-XWVZOOPGSA-N 491.717 5.148 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1)C(F)(F)F 1831451774 ZUJVMMVWOOBKCW-LJQANCHMSA-N 481.946 5.482 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831480624 KQKIBGJLZYZJTJ-DSYNPFFXSA-N 470.774 5.484 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831790975 LEZCWWIQIHEBRX-OKCNIUFZSA-N 498.667 5.313 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1831840820 QWZZGFRYPJJHPL-AOMKIAJQSA-N 489.479 5.154 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831845018 NNWWZJOMJRPDAS-VGOFRKELSA-N 450.604 5.138 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Br)cc3c2)CC1 1831851829 ALZJIAJLBQTMLZ-DEOSSOPVSA-N 496.449 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c1 1832630684 KSBCPWDTKCDKSO-HTAPYJJXSA-N 487.522 5.473 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cccs3)CC2)c1 1832631149 RVIIJOVFHZJABT-OZLRCLKISA-N 461.631 5.322 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(c3)CCCC4=O)CC2)c1 1832632564 TXYKPOBKHVYRHO-KMRXNPHXSA-N 497.639 5.380 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3Br)CC2)C1 1832721836 HJYUPNDLIZEAQT-HXUWFJFHSA-N 479.846 5.302 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c[nH]c2c1 1832962249 PSCRTRZBWCBUOZ-KSGUIJNZSA-N 494.639 5.489 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)CC1 1836742888 PZEZQNFTEBGENE-XZOQPEGZSA-N 488.619 5.059 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)C2)c1 1844676097 NMJUMOCDPUAESO-JOCHJYFZSA-N 488.591 5.364 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)C2(c4ccc(Cl)c(Cl)c4)CC2)C3)c1 1846828864 MZFGGKHMAGLLOW-KRWDZBQOSA-N 482.411 5.169 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NC(C)(C)CC)ccc1Cl 3551817 SBTWSJYJUIOOCH-UHFFFAOYSA-N 455.407 5.293 30 20 JKED C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nnc1-c1ccc(Cl)cc1Cl 9826268 LZPMCPSRRKIERM-UHFFFAOYSA-N 482.324 5.216 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 10636567 DENWRFPHFALIQB-UHFFFAOYSA-N 487.556 5.704 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)OCc2csc(-c3ccccn3)n2)c1 12240560 VUKSKVIAOXTYNY-UHFFFAOYSA-N 486.578 5.165 30 20 JKED Cc1oc(NC(=O)COC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c(C#N)c1C 12808970 SPFIYXZEHNKWRI-UHFFFAOYSA-N 477.567 5.466 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C#N)c1C 14596711 DDFPGUXSXMTUMG-UHFFFAOYSA-N 450.360 5.395 30 20 JKED COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 14908394 HPOGCUZNGOPLFW-YIXXDRMTSA-N 469.541 5.007 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16973229 VFNYLNGVCCAMQB-ZDUSSCGKSA-N 472.039 5.457 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2cc(-c3ccco3)on2)c1 18275024 OBJWWFLRKMDFMC-UHFFFAOYSA-N 498.944 5.326 30 20 JKED CC(=O)N(c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1)c1c(C)cc(C)cc1C 21515099 WAALZBTUOBVCOL-UHFFFAOYSA-N 490.576 6.639 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 22729693 JGTRYBMXTBMZNU-UHFFFAOYSA-O 487.595 6.511 30 20 JKED O=C(/C(=C(/S)NCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 22730649 YZKLAIDTQDVLMX-UHFFFAOYSA-O 482.585 5.202 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccccc1 23413705 RPYGWDPHQPBSMS-SFHVURJKSA-N 461.616 5.086 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)Nc1ccccc1)c1ccccc1 24970089 KRUGZMIBNHDYHI-DEOSSOPVSA-N 474.561 5.654 30 20 JKED C[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 26979604 WVGRPYAWWVWGFB-SFHVURJKSA-N 491.617 5.486 30 20 JKED COc1cc(CN(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1OC(F)F 32039940 BIDLEKAAAUHIRC-UHFFFAOYSA-N 452.457 5.019 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CC[C@H](C)Sc2ccccc21 32787084 DOZGTLBUIAHTRE-SFHVURJKSA-N 450.633 5.065 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1/C(O)=N/c1nnc(SCc2ccc(C#N)cc2)s1 33151004 UZMMFPGDYLISGB-UHFFFAOYSA-N 481.603 5.833 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Br)o2)nc2cc(Cl)ccc2c1=O 36788292 CQHFHQLBWJZVBO-UHFFFAOYSA-N 489.782 5.341 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CCOCC1 72025022 JIWWFIXTDMXWCW-UHFFFAOYSA-N 472.610 5.505 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3nc(C4CC4)cc(C(F)(F)F)c3=O)c2C#N)C1 108278312 ZKNAKADDHVILLL-AWEZNQCLSA-N 492.567 5.252 30 20 JKED C=CCn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1[C@@H]1COc2ccccc2O1 115196655 ARYMZZSNWLIFNQ-FQEVSTJZSA-N 471.966 5.084 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 195727829 IHJVWVJTZRYDPS-LLVKDONJSA-N 485.179 6.385 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1OC 215732014 LYKNAGVUNBMWBC-LDADJPATSA-N 455.967 5.087 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)CC2)cc1 247657139 PVQRKWCQVWAWDF-UHFFFAOYSA-N 480.587 5.513 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1 247989647 KDVSMRHKWGTWEN-UHFFFAOYSA-N 499.036 5.675 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1C 255830583 FUTPYBBOGPKIGP-NRFANRHFSA-N 469.513 5.335 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 409852924 BEKGTXFDFQSIIR-GOSISDBHSA-N 480.611 5.654 30 20 JKED C[C@@H](NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)c1ccc(C#N)cc1 410261724 RYTOYMGYJKVJGM-LJQANCHMSA-N 473.598 5.169 30 20 JKED N#Cc1c(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)sc2c1-c1ccccc1CC2 476834671 BVRSWHIYZOYHRC-UHFFFAOYSA-N 481.499 5.783 30 20 JKED COc1ccccc1[C@@H](C)CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 482764691 XYTCGTJZOCEOLT-AWEZNQCLSA-N 459.493 5.765 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3cc(Br)cs3)n2)cc1 487844777 ZUWQNSXOFDDFKR-UHFFFAOYSA-N 486.338 5.710 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(NC(=O)c2sccc2C#N)c1 497981144 IRPLBAVKPLJKEV-UHFFFAOYSA-N 490.006 5.348 30 20 JKED O=C(N[C@@H]1CCc2cc(F)ccc21)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503363454 BICMUBQBFOFLIJ-OAHLLOKOSA-N 492.782 5.515 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 504481031 TXAPSROUBLMYOI-AREMUKBSSA-N 457.530 5.407 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl 510028299 XETXNIJDRQWPAB-HSZRJFAPSA-N 493.394 5.639 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)s2)cc1OC 513274306 RUHLCJNWNQOYAX-CQSZACIVSA-N 497.548 6.028 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nc2ccccc21 513982613 GFXKNFWTVFPLBT-NVQXNPDNSA-N 484.003 6.734 30 20 JKED CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 513983889 VWNHFMRHFQALSV-FDDCHVKYSA-N 467.013 5.400 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cccc(Cl)c4)n3)n2)cc1 516270071 MBKRLAADNIVGKB-QGZVFWFLSA-N 451.960 6.086 30 20 JKED N#CCCSc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Br)o1 517441198 RFUIKSSSBAVUAA-UHFFFAOYSA-N 456.365 5.681 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cc2)c1 517530447 QPJMHQLBSCTLTB-UHFFFAOYSA-N 494.473 5.359 30 20 JKED N#Cc1ccc(Oc2cccc(NCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c2)cc1 517923312 FOHLGCOIFXGTNE-RUZDIDTESA-N 469.541 5.287 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 518140283 WRNWSVHLFANECR-SFHVURJKSA-N 465.600 5.016 30 20 JKED N#Cc1ccccc1CNc1ccccc1NC(=O)c1ccccc1I 520029535 GBCKONQPRBIVIW-UHFFFAOYSA-N 453.283 5.027 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 520190913 QUMZCHPVQGBIBJ-PGRDOPGGSA-N 451.592 5.172 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(F)cc1Br 520833618 GQKRLTGXESRTNR-ZDUSSCGKSA-N 453.402 5.854 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 521344166 KOWPBOYGWOOODM-LJQANCHMSA-N 455.583 5.468 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnc1-c1cccs1 521355862 GPWKIDUBWRDOET-UHFFFAOYSA-N 461.572 5.421 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 524276559 WYQRKDAYBHPERR-OAQYLSRUSA-N 494.041 5.909 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1 603622205 NMWBQXZWCGHBKH-UHFFFAOYSA-N 498.564 5.213 30 20 JKED COc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1OC(F)F 603756904 FSQSSKAMXJJXJX-UHFFFAOYSA-N 483.418 5.487 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)cc1 603764846 OENNLUBHUSEMJT-UHFFFAOYSA-N 498.564 5.131 30 20 JKED CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OCC(=O)NC 603829014 MVBYMUJNLKEZAF-UPVQGACJSA-N 490.991 5.393 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cc2Cl)cc1 604027421 YVARBNIRLSVTQI-UHFFFAOYSA-N 450.907 5.687 30 20 JKED Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 604452350 RFRGGKKQLJTBBY-UHFFFAOYSA-N 453.542 5.370 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)cn2)c1 604461652 TYYXKHTWIKZSOH-UHFFFAOYSA-N 469.545 5.586 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)CC1 609023901 ZXUVARFNESUFOG-UHFFFAOYSA-N 481.531 5.130 30 20 JKED N#CCn1c(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc2ccccc21 609164517 UIODSZDYHOIQLT-UHFFFAOYSA-N 460.896 5.140 30 20 JKED Cc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccccc1F 609173594 USCFEDSJWUVNGS-MUUNZHRXSA-N 493.538 5.960 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 609226820 NEFOATMZILXADT-QHCPKHFHSA-N 474.948 5.304 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)cn2)cc1 609342885 FWCKACSKGJZIPV-UHFFFAOYSA-N 466.835 5.170 30 20 JKED CC(=O)Nc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)c1 609371708 TXAHJRZWRZHNLF-AWEZNQCLSA-N 498.659 5.223 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)cc1 613291057 RLBLHWTVYUFRLZ-QFIPXVFZSA-N 451.551 5.764 30 20 JKED CC(C)c1c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 618304755 ZAIICYWQVQQPGV-BETUJISGSA-N 451.386 5.338 30 20 JKED C=CCn1c(SCc2nc(-c3ccccn3)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 642121865 CYILWTOBSVTWRI-UHFFFAOYSA-N 491.573 5.496 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2cccc(C)c2)N=C1C 725762711 DYCYJFQYZWCYNF-UHFFFAOYSA-O 482.629 6.267 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2sccc2C)cn1 726118895 RYACLFQLDZDNQZ-SFHVURJKSA-N 488.038 5.087 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(Cc2ccccn2)C2CC2)ccc1Cl 726363419 UESCZCGEUPWHCG-UHFFFAOYSA-N 499.995 5.060 30 20 JKED CCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc3c(c2)Cc2ccccc2-3)cc1 726570124 SRFDRTXZBZWKCI-UHFFFAOYSA-O 492.624 5.614 30 20 JKED COc1ccc(C)cc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1ccc(C)cc1 726571594 YTQIPEITZYYHRX-UHFFFAOYSA-O 450.971 5.448 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 726696583 SHKTVTDINJJJAV-DHLKQENFSA-N 497.986 6.457 30 20 JKED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1OC 726733151 QEFOZYXBKDJHEY-LJQANCHMSA-N 482.989 5.076 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727628658 VUJYNMHZSFNKLA-NRFANRHFSA-N 496.592 5.653 30 20 JKED Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cs1 728372160 KAVDKJNCZYAZLT-UHFFFAOYSA-N 484.581 5.269 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccc(C)n2)c1 728422645 DNAQOPQIASSYJT-DEOSSOPVSA-N 483.597 5.039 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nnc(-c4cccs4)n3C3CC3)n2)cc1 728769359 GQDZYXLABMKSES-KRWDZBQOSA-N 493.639 5.442 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCCC#N 728779300 XXMCHHYEQOEKLI-FQEVSTJZSA-N 472.973 5.442 30 20 JKED C#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)nc1 728801367 SZHBASWNLUCEEW-INIZCTEOSA-N 458.370 5.319 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N([C@@H](c2ccc(Cl)cc2)C2CCC2)C1=O 729144095 AZWYNLYFHOMSJP-RBBKRZOGSA-N 490.000 5.097 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3scnc3C)C2=O)c1 729144822 GGTQRUSCOLSRGZ-HXUWFJFHSA-N 464.616 5.229 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCc2ccccc2OC)c1 729406569 ZXTIXLBFSOXQQO-UHFFFAOYSA-N 499.032 5.045 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 729569870 UUHFXCUJUAZCIO-QFIPXVFZSA-N 478.593 5.166 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ncccc3C)C2=O)c1 729634834 VBGGBPXIYFTGNR-QHCPKHFHSA-N 493.032 5.821 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730463105 SEPYNLVKTGXQPZ-NRFANRHFSA-N 487.547 5.707 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(O)c2c3c(sc2n1)CCCC3 730687254 SPDUBWHBTAOLQH-CYBMUJFWSA-N 468.991 5.348 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 731068612 HFMFFNQDCZIPTR-UONOGXRCSA-N 467.374 5.337 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304483 QOZLVOPKAWVGEU-CJAUYULYSA-N 496.592 5.662 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCc3nccs3)C2=O)cc1 747598703 CYFSRGOVXDFNCN-OAQYLSRUSA-N 478.643 5.271 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cscn1 747601825 HZWMVTQAPAINBC-IBGZPJMESA-N 486.569 5.199 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 749050097 ZLYQLDYCRSAIKE-OAHLLOKOSA-N 474.735 5.066 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 749651990 YMLGVZHHFDTYRH-OZXSUGGESA-N 489.616 5.389 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cc([N+](=O)[O-])cnc1C 750670807 YEHGFFXKLYVIHU-OAQYLSRUSA-N 477.502 5.133 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1 751141550 GBPJAMSRZFBIFU-UHFFFAOYSA-N 462.596 6.480 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 799220155 AHAIWYNJBJJAAZ-OAHLLOKOSA-N 459.852 5.002 30 20 JKED Cc1noc(CSc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 825930042 QLUUTOOGDZHDAF-AWEZNQCLSA-N 496.614 5.056 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 837285257 LZDKDZKKDZFJSS-KKSFZXQISA-N 498.530 5.822 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1ccccn1 837286092 RSXJJSVKAHNWDM-GCJKJVERSA-N 476.577 5.559 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cccs3)C2=O)cc1OC 837302026 RXLPFJZSRNFTOE-QFIPXVFZSA-N 495.626 5.234 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@H](C)c2cccnc2)cc1 837838777 PQMANTYLBHBZGW-VGOFRKELSA-N 489.557 5.020 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc(-n3cncn3)c(F)c2)C(=O)c2ccccc2)c(Cl)c1 844254487 ZNWFPWUGZCVALR-NDENLUEZSA-N 474.923 5.582 30 20 JKED C=CCC[C@H](NC(=O)[C@@H]1CCN(C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 849568726 PVAOXHLPROTOFA-VJBWXMMDSA-N 462.560 5.077 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 857835260 MVACDBHAIKUUPN-LJQANCHMSA-N 487.581 5.534 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)/C=C\c4cccnc4)c3C#N)C(C)(C)C2)o1 864096417 DPSLVDDFSMHPPN-DEFDFUCDSA-N 499.592 5.889 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)OCC(=O)Nc4cc(Cl)ccc4C#N)cc3)o2)c1 904159196 PYJAHXCHYHTSCV-UHFFFAOYSA-N 472.888 5.033 30 20 JKED C=C(C)Cn1c(SCc2nc(-c3ccc(OCc4cccnc4)cc3)no2)nnc1-c1ccco1 904465817 IVYQQADUZYVPGN-UHFFFAOYSA-N 486.557 5.431 30 20 JKED C[C@H](OC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)C(=O)N(CCC#N)c1ccc(F)cc1 913252715 SNXIXCQGKANCOA-FNZWTVRRSA-N 484.531 5.012 30 20 JKED O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN(C(=O)c2cccc(F)c2)CC1 914608320 XFGNNNVGUNEHRE-WAYWQWQTSA-N 488.403 5.251 30 20 JKED CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ncnc3sc(-c4ccccc4)cc23)cc1 914771889 LEEUMNXNFDCPOM-UHFFFAOYSA-N 458.591 6.068 30 20 JKED CN(Cc1cccc(C#N)c1)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 914783171 JTSRMFLFPTXARU-UHFFFAOYSA-N 484.412 5.990 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3cccn3)cc2)c1 915069016 FGNGKOMBJPUYGF-UHFFFAOYSA-N 492.988 5.159 30 20 JKED N#C[C@@H](C(=O)COc1cccc(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102847 JDOFZEDFDSFJQV-SFHVURJKSA-N 486.380 5.499 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104486 CKABIEVBTRFGDD-PXNSSMCTSA-N 498.530 5.356 30 20 JKED CCCCCCn1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c2ccccc2c1=O 915106490 BVAIFVAXDBCIAL-GOSISDBHSA-N 463.488 5.212 30 20 JKED C[C@@H](OC(=O)c1ccc(Oc2cccc(Br)c2)nc1)C(=O)N(CCC#N)c1ccccc1 915532472 RHCJMKILYGFNKA-QGZVFWFLSA-N 494.345 5.129 30 20 JKED COc1cccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2-c2ccc(Cl)cc2)c1 915795921 NUNCNUTWQDXZQG-UHFFFAOYSA-N 491.020 5.501 30 20 JKED N#Cc1cccc(COc2cccc(C=Nn3c(S)nnc3-c3ccccc3Br)c2)c1 915950332 JXFXELDAXWRVBE-UHFFFAOYSA-N 490.386 5.329 30 20 JKED Cc1cc(C=Nn2c(S)nnc2-c2cccc(Br)c2)cc(C)c1OCc1ccccn1 915954154 OFFLGZRKHPSFJR-UHFFFAOYSA-N 494.418 5.469 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 916205058 DMKWDQTYOPKICH-QGZVFWFLSA-N 464.374 5.125 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)ccc1OCc1ccc(F)cc1 916277057 RTFQNLPZPDJYLS-UHFFFAOYSA-N 468.941 5.496 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 916903609 UXFZSQSBKCWVJW-INIZCTEOSA-N 490.869 5.131 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 916905249 JNBKKYPXIKFVMV-GOSISDBHSA-N 469.324 5.542 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)n2)cc1 916974557 LWRZQMVBLFDCNS-ILBGXUMGSA-N 464.546 6.063 30 20 JKED Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976303 AZBHKXPIOMQDKO-RTWAWAEBSA-N 466.006 5.793 30 20 JKED COc1ccc(O)c(C=Nc2cccc(NC(=O)c3ccccc3I)c2C)c1 917558826 ZNLHYMRZFCBZLH-UHFFFAOYSA-N 486.309 5.317 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCCCCC3)cc2)cs1 917560431 YFSCHCOPIAKUBQ-WJDWOHSUSA-N 459.615 6.413 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3csc(COc4ccc(OC)cc4)n3)cc2c1C 920066201 VJZBDNHCGQXKND-RUDMXATFSA-N 480.567 5.332 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 920111319 LYUWQPVQEMAPEF-SIBVEZHUSA-N 451.526 5.612 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cc(C)on3)C2=O)c1 920353888 VXCAODQAKXATDJ-JOCHJYFZSA-N 462.575 5.069 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc(-c2c(F)cccc2F)cs1 920806663 NBPNPTADIIJXQK-WBVHZDCISA-N 485.943 5.470 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 920869954 QPRHPZITPSVMAR-VFNWGFHPSA-N 492.016 5.339 30 20 JKED COc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 920942943 NURVUCGEDUYQAB-UHFFFAOYSA-N 496.328 5.167 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC3CCC3)cc2)CCC1 1786261004 LICXCRTVKFNBRP-QFIPXVFZSA-N 469.626 5.170 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3sccc3F)cc2)CCC1 1786519211 NTPXTUHWNSWLFT-LJQANCHMSA-N 487.597 5.104 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OC(F)(F)F)CCC2)cc1 1787888989 WOVGQXZJODHTHR-UHFFFAOYSA-N 465.859 5.290 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)c(F)c(Cl)c4)CCC3)cc2)c1 1790148504 YWZKWGVGIBUSJC-UHFFFAOYSA-N 471.319 5.394 30 20 JKED CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1)C(C)(C)C 1790384216 MQSAWUGZNOISBM-NRFANRHFSA-N 496.652 5.144 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)cn1C 1790745089 CGFUJNVKYYVSOT-UHFFFAOYSA-N 491.389 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(O)nn4)cc3)cc2)CCC1 1790812180 ZBCXYOSGHTWCTD-XMMPIXPASA-N 482.584 5.365 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3(C)CCCCC3)cc2)CCC1 1791534359 JRCHQFADFOQKGP-QFIPXVFZSA-N 481.637 5.008 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cccc(Cl)c4Br)cc3)CCC2)c1 1792178624 NWIIZODUWRLSMU-UHFFFAOYSA-N 497.780 5.364 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(NC(=O)c5ccccc5)cc4)CCC3)cc2)CCC1 1792233575 SHSLHVXDLFTHRT-UHFFFAOYSA-N 492.579 5.380 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)cc3)CCC2)cc1 1792240954 XFMVDKGBHIEMKD-UHFFFAOYSA-N 495.579 5.174 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(Cl)c3)CCC2)cc1 1792331112 JMAFCIJWNBCQLN-QFIPXVFZSA-N 496.007 5.004 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1 1797985768 DKJZFKILDCCJDL-ACDBMABISA-N 459.512 5.207 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)cc(Br)c1)C2 1798593711 FKNYGBHJDJKDAM-REPLKXPHSA-N 467.835 5.347 30 20 JKED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)CC1 1799280496 CFYNHHHPPKLELF-ACDBMABISA-N 473.539 5.309 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](F)c2cccc(F)c2)c1 1800279808 XKPGHKURAHIDHH-BJESRGMDSA-N 474.498 5.348 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1800703167 WPNSIRCKVXQFCF-OUJCMCIWSA-N 497.680 5.517 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)C3)c1 1800762823 ZAIGFXGBFNJKOF-NDBXHCKUSA-N 464.009 5.212 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[C@@H]1c1cccnc1 1802498950 CYQHJFUGQVPDKX-ICDZXHCJSA-N 497.083 5.036 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)[C@@H]1c1cccnc1 1802502663 LCQLXPOCDQAVRK-GBXCKJPGSA-N 497.039 5.005 30 20 JKED Cc1c(C(=O)N2CCC3(CCCN(C(=O)CCc4ccc(C#N)cc4)C3)CC2)oc2ccccc12 1804759149 UDZWGCRMPSZNQR-UHFFFAOYSA-N 469.585 5.091 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)C1 1805455180 OZPPJRUJSUCGEX-UHFFFAOYSA-N 455.549 5.059 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CC2)C1 1806676815 ITNISHNJGDPWSC-IBGZPJMESA-N 482.612 5.045 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1810171667 FLWUYCJJTZXIFB-ZEVJAHDQSA-N 466.025 5.142 30 20 JKED Cc1snc2sc(C(=O)N3CCCC4(CCN(C(=O)c5cccc([C@H](C)C#N)c5)CC4)C3)cc12 1810520307 RZTHNBVNZGYBOX-QGZVFWFLSA-N 492.670 5.452 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1 1811367001 JWTHOEWXTWCFAH-XNMGPUDCSA-N 474.649 5.464 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811743163 LPISPUGXFPOKMO-SBUREZEXSA-N 497.357 5.033 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(F)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811787210 BQGJGFFDWVXLFJ-JPYJTQIMSA-N 497.357 5.033 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)[C@@H]2c2cccnc2)C1 1812956123 KUMWKRSFNBBVOB-MBSDFSHPSA-N 484.427 5.092 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cncc2Cl)n[nH]1 1814365396 ODAJIAIONJZGLE-KSSFIOAISA-N 462.381 5.186 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(F)ccc2Br)n[nH]1 1815071731 KWLUPLDLVGUSGE-MGPUTAFESA-N 491.405 5.148 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(F)ccc2Br)n[nH]1 1815071732 KWLUPLDLVGUSGE-QRWLVFNGSA-N 491.405 5.148 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c(F)ccc(F)c2F)n[nH]1 1815496613 TXVBFTPFMWSCIE-LJQANCHMSA-N 462.516 5.054 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(F)cc3Cl)n[nH]2)c1 1815579253 XZEXMLONNHCJNK-QMHKHESXSA-N 493.970 5.378 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)oc2C)n[nH]1)c1ccccc1 1816415925 KHQUQZZAZRHETP-XUZZJYLKSA-N 458.562 5.123 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccnc3s2)n[nH]1 1818571400 XEYXYBWEZDGMPM-SFHVURJKSA-N 451.596 5.318 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c1Cl 1820220910 HYRHQBRGQMMFNT-GOSISDBHSA-N 486.334 5.347 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)[nH]n2)c1 1820484654 GAQFFSKCKMFVTL-OAQYLSRUSA-N 472.936 5.036 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820822746 AHCFWCPAHUOVFD-AVRDEDQJSA-N 477.996 5.070 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821279046 YXNGOJWLCRGFCT-NRFANRHFSA-N 482.009 5.243 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)c1 1821326534 ZSDZNHDGAPIQHB-LJQANCHMSA-N 483.906 5.141 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occc4c3O)n[nH]2)c(Cl)c1 1821503599 NLMWPOGGZIVHJQ-HXUWFJFHSA-N 489.919 5.006 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1)c1ccc(O)cc1 1822466644 KYOUILJMBIQYBA-JQXZYWDBSA-N 496.558 5.050 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)[nH]n1 1822582622 PCJROKYZUWUMMJ-QFIPXVFZSA-N 493.608 5.256 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)cc2s1 1823216295 GCKNSMCWICHMLT-OYHNWAKOSA-N 486.601 5.508 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C)CCCC2)CC1)NC(=O)OC(C)(C)C 1823848390 GZZLPIYYVCXDSD-PKTZIBPZSA-N 489.701 5.046 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1824168444 HZYDUWFZNCDSLB-GMKZXUHWSA-N 491.717 5.148 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1824320891 FETOLSOQTMOGCJ-SANMLTNESA-N 496.768 5.299 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1824384636 DPROAMDCMRFFDL-AJTFRIOCSA-N 489.685 5.291 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc4c3CCCO4)CC2)c1Cl 1827384848 RTEIWXOYBPYYGT-JOCHJYFZSA-N 498.048 5.145 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc([C@H](C)C#N)c3)sc2C1 1827696846 GMMBXEHOWWIWGB-HWIYTKFHSA-N 474.586 5.001 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)CC1)c1ccc(O)cc1 1828045055 BNGXEPOBHULDKI-VAVYLYDRSA-N 497.639 5.304 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)oc2ccccc12 1828124528 DXZZRJGNASRBEV-SANMLTNESA-N 483.612 5.479 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC#N)CC1)c1cccc(NC(=O)OC(C)(C)C)c1 1828889829 DREFIYDJXSAFAW-GBXCKJPGSA-N 496.652 5.061 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1)c1ccccc1 1829033115 UHBXFJVKFINDNN-LADGPHEKSA-N 499.577 5.464 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2OC)CC1 1829068942 ZNDBQEZTAIWXON-OAQYLSRUSA-N 462.581 5.199 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1829455534 RXBDZKALGHOFCD-QFIPXVFZSA-N 485.415 5.116 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1830011991 MZPQOCSJPYGELN-SVBPBHIXSA-N 457.618 5.231 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2Br)CC1 1830687938 ZHFWNNSMRAFLTL-HXUWFJFHSA-N 495.408 5.154 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Br)cc3c2)CC1 1830872464 BIMBGWHZTGCQQK-KOSHJBKYSA-N 498.465 5.443 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc4c(O)cccc34)CC2)c1 1831021930 JQCKWKJHDIULQC-FQRUVTKNSA-N 496.611 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 1838424399 CRTXURBJQLPBIM-AATRIKPKSA-N 492.582 5.108 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CC1 1838749579 AMURHJFBQGTCLE-HNNXBMFYSA-N 487.855 5.471 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)C1 1846981526 JVPKLJYPLXVPPM-CTYIDZIISA-N 480.424 5.030 30 20 JKED C=CCN(C(=O)Cc1coc2cc(C)ccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 8761831 COULIGGNBQXWDP-UHFFFAOYSA-N 466.584 5.030 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1cccc(C(F)(F)F)c1 11128859 GVIAVQJCQQXFNN-UHFFFAOYSA-O 460.545 5.562 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 11237929 MZZWBWMHTFKICL-UHFFFAOYSA-N 480.952 5.504 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2F)nc2scc(-c3cccs3)c2c1=O 11382914 ZAQQZVQWHVPHPG-UHFFFAOYSA-N 457.577 5.242 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(CO)c2)c(Cl)c1 15248352 AXNFAOLKTOABKU-UHFFFAOYSA-O 466.435 5.502 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1cccnc1 18404879 FLEZTHIJZALMNH-HSZRJFAPSA-N 455.587 5.615 30 20 JKED N#Cc1ccccc1CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 18960709 WCBLNGKUBHPSKW-UHFFFAOYSA-N 455.534 5.019 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 20990592 GEFVMEURCQXGTQ-ZDUSSCGKSA-N 481.380 5.608 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 22122282 XPVNGGVUCVZGCQ-MZNJEOGPSA-N 468.026 5.182 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C 23283302 PQRYPSPLWUUZJN-HXUWFJFHSA-N 498.612 5.074 30 20 JKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 24841307 GOQVNWVGXGZKDP-NRFANRHFSA-N 476.403 5.627 30 20 JKED COc1cc(-c2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)n2C2CCCCC2)cc(OC)c1OC 26463315 AQSAWODYMJGKAH-JOCHJYFZSA-N 492.645 6.012 30 20 JKED CC[C@@H](C)c1ccc([C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2cccs2)cc1 72089896 PHSLQQKPIJIXLC-MZNJEOGPSA-N 455.587 5.421 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 96766240 CMQFKVHLVDBWLZ-OQFOIZHKSA-N 477.469 5.041 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nc(CC)c(C)s2)c1 107677518 ZAXREIIXFHTQRE-UHFFFAOYSA-N 476.023 5.301 30 20 JKED COc1cc([C@@H](C#N)NC(=O)COc2ccc(Cl)cc2C2CCCCC2)cc(OC)c1OC 110573694 XNQSOIFVBJEHQQ-HXUWFJFHSA-N 472.969 5.173 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4SC[C@@H](C)C#N)c(=O)c23)cc1 303339305 YDYBUMTXXMWLRG-SFHVURJKSA-N 488.638 5.714 30 20 JKED C[C@@H](NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(C#N)cc1 498401590 NGSOZACFIPYBET-MRXNPFEDSA-N 467.447 5.086 30 20 JKED Cc1cc(C)c(NC(=O)CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)c1 503631941 IBMZFZRBKKZHBX-UHFFFAOYSA-N 456.546 5.017 30 20 JKED C=CCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 506220980 SIXRJEFSHNDWQE-GOSISDBHSA-N 485.569 6.119 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C(F)(F)F 507891747 UCDBBWDOEOEYST-UHFFFAOYSA-N 462.431 6.116 30 20 JKED C[C@@H](Cc1ccc(Br)cc1)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510209808 HBOMGXYSJGMLGB-ZDUSSCGKSA-N 488.436 5.217 30 20 JKED COCc1nc(N2CCC(Oc3cccc(C#N)c3)CC2)c2c(-c3ccccc3)csc2n1 511374911 BFAXEYPLECRWTL-UHFFFAOYSA-N 456.571 5.424 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 512531027 QLFWSIXYJCZHRC-UHFFFAOYSA-N 485.569 5.038 30 20 JKED C=CCn1c(S[C@H](C)c2ccccc2Br)nnc1[C@@H]1COc2ccccc2O1 513241874 MBNVYVBYDIBIQO-KUHUBIRLSA-N 458.381 5.592 30 20 JKED CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3s2)cnn1-c1ccc(Br)cc1 513653921 HXRUUTVHJAUFFI-HNNXBMFYSA-N 451.349 5.297 30 20 JKED N#CCc1cccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1 514573049 LSXZZRACGFBSMY-UHFFFAOYSA-N 460.342 5.113 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 516269861 AYBCVBHDRQTQQE-HXUWFJFHSA-N 465.494 5.824 30 20 JKED Cc1cccc(C2(CNC(=O)C(=O)Nc3ccccc3Oc3ncccc3C#N)CCCCC2)c1 516435936 KKKQNADOYQBCIH-UHFFFAOYSA-N 468.557 5.011 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)n2)cc1 516713804 JXMJSZWTSRZTBZ-LJQANCHMSA-N 483.578 5.618 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccc(F)cc2)n1 517459740 RDXUSVWSFVEZKU-OAHLLOKOSA-N 457.621 6.073 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 517465117 WXZBVMWBVONJKQ-CABCVRRESA-N 482.606 5.325 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C2CC2)cc1 517465685 BLQILBITVIOPCA-FQEVSTJZSA-N 461.509 5.226 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 517473131 JQQHIMGOTPIJBF-AEFFLSMTSA-N 465.554 5.539 30 20 JKED CC(C)(C)Cc1nc2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)ccc2o1 517494225 VCKUXDJJDVICCE-UHFFFAOYSA-N 472.505 5.354 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C(C)C)cc1 518675051 YPVUJHAJRRSYEY-FQEVSTJZSA-N 479.524 5.172 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 518753303 LFZZNWLTNRKEPI-QGZVFWFLSA-N 497.024 5.134 30 20 JKED N#C[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccc(OCc2ccccc2)cc1 520536791 UTQZJNTWVLCZKX-RUZDIDTESA-N 466.541 5.004 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)cc1 521293195 ILJMTERVTUHWBN-FQEVSTJZSA-N 474.369 5.097 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 521860772 MMBZODWJVICGEM-ZDUSSCGKSA-N 466.397 6.347 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 523193498 OOQXIFFUTMZUPS-CLJLJLNGSA-N 461.512 5.469 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(F)c(Cl)c3)cc2Cl)cc1 523966912 OCZQCCPGORGPJU-UHFFFAOYSA-N 458.276 5.051 30 20 JKED CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524439317 RREWJYDPPVLMMR-UHFFFAOYSA-N 471.948 5.640 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 524697355 RFGPQAPKOCEZDZ-UHFFFAOYSA-N 451.935 5.219 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@H]3c3nc4ccccc4s3)c2C#N)C1 561199665 QNYYYNPAYMZVHV-BEFAXECRSA-N 450.633 5.520 30 20 JKED O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 603829808 LGOHUGSYVVFMHK-HTQZYQBOSA-N 465.297 5.227 30 20 JKED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 603977005 RHKPPEYMRUALJB-WOJBJXKFSA-N 483.637 6.388 30 20 JKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 604085760 UBURULGNNBEUGX-XMMPIXPASA-N 454.530 5.058 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)cc2)cc1 604460743 ZFDIAKPWWWVIQV-UHFFFAOYSA-N 462.500 5.415 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)c(Cl)c1 604507075 AAMFSDUALMDAHW-NRFANRHFSA-N 483.355 5.648 30 20 JKED N#Cc1ccc(OCC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1 608850911 NFABARHHACBZGX-UHFFFAOYSA-N 459.889 5.463 30 20 JKED Cc1cc(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c2ncccc2c1 608928388 NSUABXNCUBBRPI-UHFFFAOYSA-N 488.516 5.282 30 20 JKED CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 608994828 VINCVTGBZYVZOB-NRFANRHFSA-N 468.891 5.376 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609078933 ULTKTXXELFFXLF-MHZLTWQESA-N 455.558 6.213 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 609428496 LLFDXZLDQGTUAF-UHFFFAOYSA-N 451.555 5.557 30 20 JKED N#C[C@@H](C(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccc2ccccc2n1 613290595 IAJDINSDERFQIV-LJQANCHMSA-N 470.326 5.740 30 20 JKED CC(C)n1ncc2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cnc21 613346463 KNBHJCFIZYBLNB-INIZCTEOSA-N 456.358 5.933 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 614381893 FNOVFUCAFVXCJY-AWEZNQCLSA-N 452.898 5.468 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1cccc(C)c1 617936752 XMPGBQYCLGTDTO-QGZVFWFLSA-N 460.559 5.508 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cn1 726116720 JISUIYRBIQLAGD-UPVQGACJSA-N 473.602 5.015 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 726320410 XPKCSNIKCYIUKN-JOCHJYFZSA-N 470.504 5.641 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@@H](C)c1cccs1 726418550 DVUVLLSRPNOJFA-QVAVMFBNSA-N 494.082 5.526 30 20 JKED CC(C)c1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1 726570112 SEFCOVACQCAONA-UHFFFAOYSA-O 474.650 5.902 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc(OCCCC#N)c2)NC(=S)N1C 726763042 CWXQSWHETYGBSG-NRFANRHFSA-N 488.535 5.162 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)cc2)c1 728005186 JGTGNGMFUQLVTC-UHFFFAOYSA-N 476.623 6.023 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2Cl)cc1 728187279 VJCIFCFQELZQAA-UHFFFAOYSA-N 488.950 6.044 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](c1ccccc1)c1cccc(Br)c1 729111110 ASGIQLIDWWEQGY-DEOSSOPVSA-N 466.379 5.442 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1 729767488 KGELVOPLICCGKN-UHFFFAOYSA-N 458.543 5.280 30 20 JKED O=C1/C(=C\c2ccc(-n3cncn3)cc2)CCc2nc(-c3ccccc3Br)sc21 730435509 BDUBRSQPBZCUNN-PTNGSMBKSA-N 463.360 5.366 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ccccn1 730525416 PTZCFNKOZGFWFV-DEOSSOPVSA-N 472.614 5.421 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@H]2CCCO2)c1 730530528 GCFATBBPUFCGIQ-GGAORHGYSA-N 465.619 5.005 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1[C@@H](C)CCc1ccco1 730713542 SZFAQMYDTLUDMC-YWZLYKJASA-N 498.008 5.013 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1Cl 730714995 IYRREWLPOMWYJT-SFTDATJTSA-N 492.004 5.086 30 20 JKED CCOc1ccc(OCc2nn(CN(C)C[C@H](C)C#N)c(=S)n2-c2ccc(Cl)cc2)cc1 746705899 DEFMVSUAYIOCCP-QGZVFWFLSA-N 472.014 5.083 30 20 JKED C=C(C)COc1cc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)ccc1OC 747063322 HMIZYRDQXFQIRN-ZDLGFXPLSA-N 473.957 5.308 30 20 JKED C=C(C)COc1cc(/C=C(\Cl)c2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)ccc1OC 747063358 IQMSWRBTUXRQEJ-UNOMPAQXSA-N 490.025 5.007 30 20 JKED COc1ccc([C@H]2[C@H](C(=O)Nc3cc(C#N)ccc3OC)CCC(=O)N2c2ccc(C)cc2)cc1 747406208 YIXDIOUIYHFGAK-KCWPFWIISA-N 469.541 5.007 30 20 JKED Cc1c(N=Cc2cc(Br)cc(Br)c2O)cccc1C(=O)N1CCCC1 748586387 VYQJXSFRVOKTLX-UHFFFAOYSA-N 466.173 5.212 30 20 JKED Cc1cc(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)n1-c1ccc(Cl)cc1 749147061 ANQXQQOBAXYOEM-UHFFFAOYSA-N 474.992 5.039 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 799210769 WPNJNDPEZLPXAH-IBGZPJMESA-N 493.457 5.641 30 20 JKED Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)cc1 849537123 SLDVFTUOQCAEQS-MHZLTWQESA-N 484.600 5.505 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)Cc2ccco2)c1 914690715 CNGUVHBCOJDZED-OPAMFIHVSA-N 481.549 5.019 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)ccc2I)cc1 915293425 LYBGYDIZZQJMLK-LJQANCHMSA-N 472.713 5.852 30 20 JKED O=C(O)COc1cccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c1 916157089 NWMQRQKLXSVAQH-BUHFOSPRSA-N 492.487 5.005 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 916213181 BBKPIBSZSVHWKO-LJQANCHMSA-N 481.952 5.005 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 916217504 OKHVQZFJPMXXBV-HXUWFJFHSA-N 484.503 5.261 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCc3cc4ccc(SC)cc4nc3Cl)nnc12 916416520 SXLSXFJSIUCKJQ-UHFFFAOYSA-N 480.018 5.446 30 20 JKED CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 916686446 KYVGTPLLWHVTBR-UHFFFAOYSA-N 468.601 5.986 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)O[C@@H](C)C2 916944724 LPQMJRRNFOLQKD-FIKXJNMISA-N 459.329 5.076 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2c(SC(F)F)nc3ccccc32)cc1 916953319 BLWFSQIKAVCIFC-YOEHRIQHSA-N 456.518 5.212 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(NC(=O)c4ccoc4C)n3)n2)cc1 916974577 MSBBQVIKZYSYAE-GOSISDBHSA-N 462.556 5.148 30 20 JKED CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975435 COKLWUBUDMKFMU-PMACEKPBSA-N 484.046 5.500 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc(-c3ccco3)nc21 917119399 CEMLILBZMYYEIK-HSZRJFAPSA-N 461.525 6.180 30 20 JKED N#Cc1cccc(COc2cccc(/C=C3/NC(=S)N(c4ccccc4C(F)(F)F)C3=O)c2)c1 917357941 AYDVOABPNMTZDC-FYJGNVAPSA-N 479.483 5.418 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(Cc3ccccc3C(F)(F)F)C3CC3)nc12 917474533 QYPSEVODIWJZPN-UHFFFAOYSA-N 485.535 5.007 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OC(F)(F)F)cc2)cs1 917560638 UEOHVJNUWJWWLF-IZZDOVSWSA-N 450.413 5.762 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2cccc(C(C)C)c2)c1 917613507 HYHCCBRKKKSHBZ-UHFFFAOYSA-O 488.677 6.526 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)S1 917622814 FFMIRSHAWLGPPV-XSFVSMFZSA-N 491.082 6.402 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)cc1 917680772 HRGVUBIPYWKWIB-RUZDIDTESA-N 490.673 5.084 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc([N+](=O)[O-])cc2)cc1 917682649 KJXUBLBVIINXOZ-JOCHJYFZSA-N 492.532 5.203 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccccc1C#N 917700007 MPVJKDWUGHYXHG-GOSISDBHSA-N 459.358 5.011 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)nc1C 919745021 UVAOORZRVMWDNE-UHFFFAOYSA-N 465.391 5.225 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 920106361 XODJRTAOSJUMEM-LJQANCHMSA-N 456.502 5.530 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2ccccc2C#N)c1 920109035 MVPIOJYMQDOUSR-NRFANRHFSA-N 473.916 5.069 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2C#N)s1 920168719 NKXNJGLSCHPRJC-MBSDFSHPSA-N 488.638 5.327 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccnc2)ccc1Cl 920318541 IJDKKVSFMLMVME-MRXNPFEDSA-N 490.412 5.261 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)n1 920438591 HBPSPVBHHHWOET-UHFFFAOYSA-N 472.492 5.058 30 20 JKED N#CC1(C(=O)OCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)CCCCC1 920673798 YHFLKVKDOWBQTP-UHFFFAOYSA-N 477.561 5.500 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cnn(-c4ccc(F)cc4)c3C)cc2OC)o1 920992005 XOEGFVJLAWHMLX-NYYWCZLTSA-N 490.487 5.183 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 921388192 BVIGSQFJKWRACB-QUWSGOTNSA-N 478.545 5.315 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 1515042650 SJZJTSLOMWGJJK-SFHVURJKSA-N 489.626 5.047 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3=CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786284149 KTILQJIRWIRISB-UHFFFAOYSA-N 481.637 5.290 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CCC2)cc1 1786359854 RVRQXYXQGJQKQA-SFHVURJKSA-N 476.960 5.386 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(Br)c4[nH]3)CCC2)cc1 1786679049 XIAKSTUBNLSZQZ-UHFFFAOYSA-N 498.446 5.597 30 20 JKED Cc1ccnc(-c2cc(CCCC(=O)NC3(c4ccc(NC(=O)CCC#N)cc4)CCC3)ccn2)c1 1787890465 MEAOQEMLMSQXIJ-UHFFFAOYSA-N 481.600 5.213 30 20 JKED Cc1nc2sccn2c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1789376271 CTFSKSZUEXNTNE-UHFFFAOYSA-N 489.988 5.291 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3occc3Br)CCC2)cc1 1789454282 UVWQUURRMPYSQF-GOSISDBHSA-N 457.368 5.558 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)C3CCC4(CC3)OCCO4)CCC2)cc1 1789509875 QIMZNFVRCIOKDL-UHFFFAOYSA-N 496.724 5.105 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)ccn4)cc3)CCC2)c1 1789828576 ZSZYZYFCPQHPNC-UHFFFAOYSA-N 482.437 5.173 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4c4ccc(Cl)cc4)CCC3)cc2)c1 1790144880 PUXYOCNRSMUMSO-YADHBBJMSA-N 458.949 5.091 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5ccoc5c4)CCC3)cc2)ccc1F 1790521310 YGCQATVXKRVDPY-UHFFFAOYSA-N 467.500 5.434 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4CCCCO4)CCC3)cc2)cc(C(F)(F)F)c1 1790785313 DYBZMTLVYBIGEG-QFIPXVFZSA-N 485.506 5.284 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)CCC2)cc1)C(F)(F)F 1791303430 WUJIAQRLPPLNDY-KPKJPENVSA-N 494.517 5.197 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](Cc3ccsc3)NC(=O)OC(C)(C)C)CCC2)cc1 1791586441 VYCYMJZWLMAFDD-JOCHJYFZSA-N 497.661 5.284 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4cn[nH]c34)CCC2)cc1 1791728868 CQTQSSRZQWJLMR-UHFFFAOYSA-N 493.405 5.267 30 20 JKED COc1ccsc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792125451 ZYPPOTZVIRFEDO-KRWDZBQOSA-N 459.571 5.445 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(Cl)c(Cl)c3)cc2)CCC1 1792179929 XHRKJOZXIKXJLW-UHFFFAOYSA-N 450.753 5.698 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(F)CCCCC1(F)F)c1ccc(C(F)(F)F)c(F)c1 1797804463 IATZYKVSZLGAQP-IGMJJTELSA-N 480.424 5.014 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(F)cc1 1799434295 RSTPXIWIUVMJKU-BKFWDETESA-N 491.683 5.191 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)[C@@H]2c2cccnc2)C1 1802413102 KZEHYPUJMVCMJE-SQJMNOBHSA-N 478.036 5.219 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1802432283 QKBNLUGTAFBRPP-OLHNFOQUSA-N 451.636 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c(Cl)cncc3Cl)C2)CC1 1804733732 BTLAKXJQRDCZGB-UHFFFAOYSA-N 452.426 5.226 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)CC2)C1 1804859599 CYESVAGRJFCSSS-RPWUZVMVSA-N 452.639 5.022 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc(Cl)c(F)c4)C3)CC2)c1Cl 1805219663 NJEKPRHFPAJSNU-UHFFFAOYSA-N 488.390 5.092 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)Cc3cccc4ncccc34)C2)CC1 1805978296 HWUGWTLFVLUYEZ-UHFFFAOYSA-N 489.736 5.060 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@H]1c1cccnc1 1808577680 KUWSCVKUVAJCNB-LRXVAGHRSA-N 476.543 5.015 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1810175023 VTDAVZPQBDWJFU-SWHJIRTISA-N 477.605 5.523 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1810181946 MWMZYRNYXCXADP-JTKRFKOTSA-N 478.036 5.239 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC3(CCN(C(=O)c4cc(C)cc(C#N)c4)CC3)C2)cc1 1810351346 PSAWJNNXQXFCJO-UHFFFAOYSA-N 492.623 5.396 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1ccccc1 1810443705 KSEYRKNLEPCAJT-DOEKTCAHSA-N 486.015 5.252 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc4occ(Cl)c4c3)[C@H]2c2cccnc2)cc1 1811359620 CXEZHMVUSWFTDI-NVQXNPDNSA-N 498.970 5.181 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c1 1811424478 KTERMTWUGDVMRN-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812223044 QPKITVOICGQUTK-NVQXNPDNSA-N 459.615 5.118 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1812791081 GZNZFHZPUTYAOB-VSUKXTEZSA-N 486.660 5.054 30 20 JKED CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CCCCC1 1813006533 XTOLNLWFQFZRIO-OFNKIYASSA-N 498.549 5.262 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1813829897 GJNMAYCARPKXGY-IMSXRSKXSA-N 451.998 5.131 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2F)n[nH]1)c1cccs1 1814580410 UHAKLACSXLLRBG-BLGFXRMMSA-N 486.956 5.009 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814738513 KBIIXJXZNNCVMI-HXUWFJFHSA-N 499.493 5.140 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)s1 1815855060 ONJXXIUGTQURAL-SBUREZEXSA-N 475.618 5.345 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1816464540 IUFRGSJQAFZWBZ-HXOBKFHXSA-N 487.604 5.855 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1817117833 XAWIPIXNQAWPPA-FQVRHNBASA-N 468.001 5.333 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n[nH]2)c1 1818164514 NEXJQXVYCHDNOY-FQEVSTJZSA-N 488.935 5.143 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)c2[nH]1 1818649466 PNUBAQBKIBHBIQ-XMMPIXPASA-N 480.572 5.010 30 20 JKED CCC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CCC1 1818950682 DYBSIBJTQTXXNH-IBGZPJMESA-N 473.499 5.186 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)c1 1819078860 MWRZBHDVMCRLES-FQEVSTJZSA-N 473.533 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)[nH]n1 1819304030 XEBBDRXMZZMJNO-QAPCUYQASA-N 464.488 5.404 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)[nH]n1 1819307531 IOBXGELXWSYJHF-XUZZJYLKSA-N 491.636 5.531 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[nH]n1 1819307826 OMMLKWDOJQETNI-HXOBKFHXSA-N 493.011 5.528 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)n[nH]1 1819369279 RUGUXNHMMSDPOW-UTKZUKDTSA-N 481.597 5.129 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)c[nH]3)n[nH]2)c2ccccc12 1820310885 HMLCAYUJVHAXGB-VWLOTQADSA-N 480.572 5.010 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1 1820805192 XAJIHJZQYITWNC-FPOVZHCZSA-N 487.645 5.008 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821070551 KDRUEEKYIRJEED-SCLBCKFNSA-N 479.806 5.344 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n[nH]1 1821788057 WDOQAYLWCZXMID-OXQOHEQNSA-N 494.583 5.230 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)[nH]n1 1822399603 JQSAJZVKMDQCQM-FQEVSTJZSA-N 467.367 5.207 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1823812917 VUWMNHUUXHEMDD-XMMPIXPASA-N 483.534 5.053 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1824510687 SQVFXBLDSOEJSI-IIBYNOLFSA-N 486.962 5.183 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1827364825 HDSFAUVSHFITTL-AREMUKBSSA-N 466.585 5.049 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc4ccccc34)CC2)c1 1828002512 LETAJYALTLQLEB-KMRXNPHXSA-N 480.612 5.409 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)c1 1828159050 UXGVRPCBGAOJEH-VWLOTQADSA-N 494.517 5.004 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)c1Cl 1828414651 ZGATZGKMIRLUIW-NRFANRHFSA-N 459.993 5.117 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828496666 BAPNDZWROCINKM-CJAUYULYSA-N 468.041 5.642 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828509046 KWRHEIYYZLXROM-OAQYLSRUSA-N 497.508 5.631 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2OC)CC1 1828829726 MVNXAYJWXZVTMT-RBBKRZOGSA-N 459.030 5.350 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)CC1 1828832048 YHSFLPYWJDCAHK-WVNSPRTPSA-N 471.041 5.447 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2onc3ccccc23)CC1 1828906962 RUHAWPLNHHUGCQ-XMMPIXPASA-N 479.697 5.112 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1829698260 IDZHJQHEWARNDR-RUZDIDTESA-N 490.003 5.434 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1 1829900743 OVVYKWGODJQYDW-KOSHJBKYSA-N 481.999 5.653 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829902469 RQDZJZZQUAEFTE-UZLBHIALSA-N 468.425 5.028 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1830054632 WOOSXFBMCUJURM-XMMPIXPASA-N 483.534 5.319 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)CC1)c1ccc(O)cc1 1830098011 BCXJYRPGNSTZFK-AMGIVPHBSA-N 494.582 5.101 30 20 JKED CC1(C)CCC(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)CC1 1830361429 PHOSHDJWRDPLFP-SANMLTNESA-N 481.656 5.466 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1)C(F)(F)F 1830607651 GIVSPWIRKOTOOB-DEOSSOPVSA-N 487.566 5.446 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)CCC1 1830683560 PTWCSOAKOFTVAS-AREMUKBSSA-N 495.627 5.157 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@H](C)c3ccccc3)CC2)c1 1831510784 QHVNQLMIZZXMMT-SXDGJLEOSA-N 471.645 5.741 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCCCNC(=O)OC(C)(C)C)CC1 1831856024 MGEYAOCSGZBVRT-XMMPIXPASA-N 491.717 5.438 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 1832034494 MPJJPEAZICIGIL-CCDWMCETSA-N 499.493 5.366 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)c1 1832635520 IFELPEFGNKKKFG-OSPHWJPCSA-N 499.989 5.792 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832687382 YDGVBNKKOJCESJ-GHTZIAJQSA-N 464.984 5.620 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705938 JCNOKQXDUHMLOE-SFHVURJKSA-N 482.440 5.420 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1)C(F)(F)F 1832711188 VACVDOLQBMVLLO-GOSISDBHSA-N 480.424 5.196 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1832925384 YJUITXMZLNHQOP-QHCPKHFHSA-N 491.717 5.246 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)CC1 1832977312 BQAZLOSYCFOFGF-BKMJKUGQSA-N 474.979 5.057 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1838711676 HVYZLNWGENPCBA-UHFFFAOYSA-N 476.589 5.033 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c(Cl)c1 1845489331 HCJXYQMOXGWOHE-UHFFFAOYSA-N 483.182 5.303 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(N(C)C)cc2)c(Cl)c1 10178766 RFAXZPSMXDREFR-UHFFFAOYSA-O 474.984 5.639 30 20 JKED COc1ccc(NC(=O)C2=C(C)N(c3ccc(C)c(F)c3)C(=S)N[C@H]2c2cccc(C#N)c2)cc1 11559713 QDQXQEZPPOFECQ-VWLOTQADSA-N 486.572 5.363 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nc2sc(C)c(C)c2c1=O 11970664 OGXRULLFVKSQEB-UHFFFAOYSA-N 498.855 5.408 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cs1)c1ccc(F)cc1F 15189393 KJTSTDXDHXHRKS-YRNVUSSQSA-N 470.541 6.427 30 20 JKED C=CCn1c(SC[C@@H](O)COCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 15242408 AVPWFFJEVKWKBH-SFHVURJKSA-N 450.391 5.108 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2cccc(C)c2)c(Cl)c1 15248286 AILVLVQYVKSLHQ-UHFFFAOYSA-O 454.959 5.512 30 20 JKED CC(C)n1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nc2ccccc2c1=O 16798096 QTAGYJFPESMWQJ-HNNXBMFYSA-N 466.632 5.299 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2nnc(C(C)C)s2)ccc1Cl 16965765 ODJHKYACDVYYJA-UHFFFAOYSA-N 495.001 5.088 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)nc2scc(-c3cccs3)c2c1=O 16986872 IIFFVWUJSGAILX-LBPRGKRZSA-N 489.594 5.770 30 20 JKED N#CCCN(C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccccc1 23486741 KYTDJNCTSDXFRY-UHFFFAOYSA-N 450.614 5.906 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 23610494 RWLJRQBDMPYZEU-KRWDZBQOSA-N 499.061 5.997 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2c(C)c(C)sc2n1 27445095 ATJNNWMYQBZUMQ-MRXNPFEDSA-N 450.614 5.709 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28698774 UDJRIQFPBCMZQV-HNNXBMFYSA-N 471.623 5.298 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cc(C2CC2)nc(SC)c1C#N 29435392 MQKPXNDKOGPLFI-UHFFFAOYSA-N 493.654 5.864 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCCOC(c3ccccc3)c3ccccc3)nnc12 29810037 LXTJDUFOJYCLIW-UHFFFAOYSA-N 468.582 5.129 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nc2sc3c(c2c1=O)CCCC3 31612739 JGZXFHDIXWNFOJ-UHFFFAOYSA-N 450.589 5.174 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nn(-c2ccccc2F)c2c1CCC2 32176985 OKLPLQWLBUMCRZ-VXGBXAGGSA-N 463.397 5.139 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C)o3)n2)nnc1[C@H]1COc2ccccc2O1 32324848 GGHQCQWNJMRNLK-LJQANCHMSA-N 452.561 5.294 30 20 JKED N#Cc1c(NC(=O)CSc2cc(C(=O)NC3CC3)c3ccccc3n2)sc2c1CCCCC2 43734978 GECHJDVAYNUIJH-UHFFFAOYSA-N 476.627 5.060 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)N1CCCC1 71923172 DFAWTNQXONPSFV-HHHXNRCGSA-N 484.600 5.299 30 20 JKED N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccccc1 79364808 CEUYKEFBUARUGD-UHFFFAOYSA-N 474.973 5.078 30 20 JKED Cc1nc(CSc2ccc(C(=O)OCC(=O)Nc3ccc(C#N)c(Cl)c3)cc2)cs1 105537118 NEFQFVTXKZQNMI-UHFFFAOYSA-N 457.964 5.064 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 107832235 IJJNSWPBPPYGGM-UHFFFAOYSA-N 479.911 5.381 30 20 JKED C=CCn1c(SCc2nc3ccccc3n2C(F)F)nnc1[C@H]1COc2ccccc2O1 115518001 UZXCXHHURKPJEV-GOSISDBHSA-N 455.490 5.014 30 20 JKED N#Cc1c(NC(=O)CCN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)sc2c1CCCCC2 116700050 LGCVLGFQXOFFMV-OAQYLSRUSA-N 475.618 5.494 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4ccccc4Cl)CCOCC3)s2)cc1 303271101 GGJXIZPJYFHIPC-UHFFFAOYSA-N 471.007 5.042 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 492482203 IZUOTVGQKHRBSI-UHFFFAOYSA-N 490.566 5.865 30 20 JKED N#Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1 498361613 WCSLXKDWIIUAAW-UHFFFAOYSA-N 494.407 5.521 30 20 JKED N#CCSc1ccccc1NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1Cl 501555981 YOGUTPBJCRAICX-UHFFFAOYSA-N 465.987 6.250 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 506541163 MJSSMHMTKZLMNK-UHFFFAOYSA-N 465.513 5.311 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 509659328 UBEQAUOGGSBQQM-IBGZPJMESA-N 458.493 5.372 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 509877929 LSUIEGMUWNLTGH-UHFFFAOYSA-N 459.493 6.239 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccccc2CN2CCCCC2)cc1 511359700 FSHAVRNJXFVDJJ-UHFFFAOYSA-N 468.601 5.639 30 20 JKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 511605868 LRORLTYPWHSCIY-UHFFFAOYSA-N 498.007 6.892 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)o1 512257734 MFSBRFAMZFKZRC-UHFFFAOYSA-N 483.490 5.097 30 20 JKED COC[C@@H](C)n1c(SCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnc1-c1ccccc1 513751577 FWKQNGGPGUUXQL-LJQANCHMSA-N 499.596 5.547 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 513938142 OVXMEJVGSBMIEG-RUZDIDTESA-N 472.520 5.049 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1Cl 514466559 UBDBBFPTZWQMFK-YKSBVNFPSA-N 494.016 5.035 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 516038917 IMQBHTMBCFJKNF-VWLOTQADSA-N 496.954 5.552 30 20 JKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)o1 516735673 RNVSEVPVIRSANF-GAJHUEQPSA-N 455.514 5.197 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1ccc(Br)s1 517856464 IVZHBXJUMIMGHM-UHFFFAOYSA-N 484.375 5.080 30 20 JKED N#C[C@@H](C(=O)c1csc(I)c1)c1nc(-c2ccc(Cl)cc2)cs1 518091351 KUADERIWIBAGNT-LBPRGKRZSA-N 470.744 5.620 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1C 519351394 AXXOVMFZFHDKLL-RBBKRZOGSA-N 463.379 5.129 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)s2)cc1 519935085 CFGPKNKSRUHELN-UHFFFAOYSA-N 491.580 5.175 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC 520198074 ZZAWIXQFTBPGHU-FPOVZHCZSA-N 467.635 6.117 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)O[C@H](C)C2 520787023 QFFUYQIDTUNRFR-KAZGAHJFSA-N 497.595 5.731 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1 523005086 KKJRZEWBGQAMRZ-UHFFFAOYSA-N 452.514 5.473 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cccc(C(=O)N2CCCCC2)c1 557560653 WRFAKCTWRYUTGX-LJQANCHMSA-N 467.660 5.579 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(-c3ccccc3)nc21 591862324 PMCISTPWQLEROT-JOCHJYFZSA-N 488.576 6.164 30 20 JKED O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 594261538 WONKHRCOOWXXPG-MXYBEHONSA-N 472.401 5.415 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)s2)cc1 602228842 ORFOWSXGTUBKOG-UHFFFAOYSA-N 486.528 5.014 30 20 JKED Cc1sc(NC(=O)c2cccnc2SCc2cccc(Br)c2)c(C#N)c1C 603637288 YTRUXKUBXGABDY-UHFFFAOYSA-N 458.406 5.939 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)CC1 603648531 AJTIQIRGQBYLII-UHFFFAOYSA-N 470.558 5.054 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 603814304 GRXYAYMTTOEVCL-UHFFFAOYSA-N 459.596 6.006 30 20 JKED N#Cc1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2c(c1-c1ccco1)CCC2 603818599 SDCPZGBNXLEZEG-UHFFFAOYSA-N 477.895 6.105 30 20 JKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(COc3ccccc3C#N)o2)c1 603954417 RGIGSSPPMWVRSB-NRFANRHFSA-N 493.563 6.092 30 20 JKED COc1ccc([C@H](CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)NC(C)=O)cc1 604027401 XMMKUGWBNVALHY-QHCPKHFHSA-N 463.921 5.219 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCC3CCN(Cc4ccccc4)CC3)c2)cc1 604430386 KXLGOIUVYCLRBU-UHFFFAOYSA-N 468.601 5.365 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(COCC3CC3)c2)c1 604451332 PCXYKENBNWQBJO-UHFFFAOYSA-N 471.582 5.468 30 20 JKED COc1ccc(C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2)cc1OC 608948526 CDRKHHXKONMYNQ-DEOSSOPVSA-N 482.536 5.461 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc(OC)c1OC 609006686 QSWIBFJRCQLHKP-IBGZPJMESA-N 493.541 5.075 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(OC(F)F)cc1 609078783 NTXNDLLHDOFJQI-UHFFFAOYSA-N 451.473 5.711 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 609079140 LIMNKFQPJZPZSS-UHFFFAOYSA-N 472.564 5.371 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1 609082633 SYURAYLNVSQNSN-MRXNPFEDSA-N 469.275 5.101 30 20 JKED COc1ccc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)nn2-c2ccccc2)cc1 609184692 DLEJHWONECDARW-UHFFFAOYSA-N 478.552 5.103 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CC=C 617895898 CJJSLTRKJXHBEQ-INIZCTEOSA-N 459.040 5.541 30 20 JKED COc1cc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1F 622517364 HEVGRIZUCFAMKJ-QGZVFWFLSA-N 451.338 5.086 30 20 JKED COc1cc(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 642662645 CDERAFRQFNTHLT-GHMZBOCLSA-N 464.353 5.005 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 726393742 RCNDIAVTRIYAQW-XCLFUZPHSA-N 495.979 5.312 30 20 JKED CCCn1c(/C(Cl)=C/c2cccc(OCCCC#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 726743787 PAEHAIVBQXVOGP-PGMHBOJBSA-N 487.025 5.116 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 727233208 JMDQXNUJAYLBCH-FZMZJTMJSA-N 458.408 5.135 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)/C(=C/c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)nc1 727342756 QKZRWNFEVQRNJX-BUVRLJJBSA-N 460.940 5.072 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)cc1 727917769 DHQRZOUWBXSUMZ-SFHVURJKSA-N 486.528 5.407 30 20 JKED CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)NCc2ccc(OCC#N)cc2)ccc1Cl 727935550 ZPTHZHVMKLEQEJ-UHFFFAOYSA-N 476.964 5.226 30 20 JKED C#Cc1cccc(N(C(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)C(C)C)c1 728248640 ZLUANHMNQDGHMB-UHFFFAOYSA-N 473.623 5.720 30 20 JKED CC(C)c1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c2cnn(C(C)C)c2n1 729594212 LCPGCUJARAVBKO-MRXNPFEDSA-N 493.633 5.522 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2F)c(F)c1 729819279 XSHFLNZLPVSNTB-JOCHJYFZSA-N 494.498 5.136 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1 729889554 PNOKYXNNASXNOQ-YZIHRLCOSA-N 489.616 5.159 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)cc1 730719543 GTMJHLRNGBOIEH-DEOSSOPVSA-N 484.581 5.551 30 20 JKED COC(C)(C)C(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 730884442 DDVXZAZMYWFKMZ-NTMALXAHSA-N 468.575 5.206 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc12 731064169 UHOGJWIWBIHACH-INIZCTEOSA-N 490.610 5.585 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnc2ccccc2c1C(F)(F)F 731067552 YGHSNBKMAUSUNZ-CQSZACIVSA-N 473.476 5.443 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c1 731309841 ZTYKTBPWDFZHKM-OAQYLSRUSA-N 465.600 5.231 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731311008 UZBPFNRGZLLEAQ-LJQANCHMSA-N 491.400 5.353 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1Cl 743449005 GTLOOBNTPCKBLG-CYBMUJFWSA-N 480.760 5.740 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c1 743524944 MSGXFFFGDSJCNF-NRFANRHFSA-N 484.528 5.039 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccccn2)ccc1Cl 743655955 WXBKZLCWZBNFER-KRWDZBQOSA-N 487.984 5.089 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 744060553 JWTHGJGHLGXZKF-UHFFFAOYSA-N 461.974 5.687 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCOc2ccc(Br)cc2)cc1 744766800 VFEFQOBTITVUJU-JOCHJYFZSA-N 450.336 5.305 30 20 JKED C[C@@H](Oc1cccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)c1)C(=O)O 745020329 DCFBSMXFXANJKG-MMQHEFTJSA-N 458.333 5.321 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(C(F)(F)F)c2C)ccc1Cl 746398783 IBGWIQHDGAVXAP-UHFFFAOYSA-N 498.914 5.024 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCOC1CCCC1 747044775 ZFOPBBIDLWUWEQ-QHCPKHFHSA-N 494.592 5.007 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1Cl 799219422 QSRPSNMGANEWTD-AWEZNQCLSA-N 494.297 5.655 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 837301213 PWKSKFPMEIIARY-YCRPNKLZSA-N 482.968 5.596 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1 837539874 QNLRLFIOSBVVQK-BTYIYWSLSA-N 482.968 5.596 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)c1 837546342 MONJFHAATHUBGG-CVDCTZTESA-N 458.587 5.420 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1F 838580030 ACMXGZSDTRWPJU-GOSISDBHSA-N 453.461 5.003 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1 914755403 YSFTVAIAKNBQHP-UHFFFAOYSA-N 493.361 5.261 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)cc1 914773149 ZSIGZEBOMJIVFK-QHCPKHFHSA-N 495.551 5.272 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3nc(O)c4c5c(sc4n3)CCC5)n2)cc1 915102473 ZPJOTCRPABHAHN-INIZCTEOSA-N 492.651 5.427 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1OC 915103685 BPSHFLIBZCKRPB-AWEZNQCLSA-N 464.465 5.150 30 20 JKED N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1 915104702 JFYSUSNWZIXMNV-NRFANRHFSA-N 463.453 5.008 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@H](C)c1nc2ccccc2n1C(F)F 915139424 IWFOXLMNCKUXTO-GFCCVEGCSA-N 494.292 5.147 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c(F)c1 915352310 JNWVEDBDVOFVOU-XMMPIXPASA-N 456.521 5.038 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N2CCCC2)cc1 915353659 VYDUESDNHGSUAA-KAYWLYCHSA-N 454.574 5.309 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccccn3)C2=O)cc1 916209269 IGTQHWOIFGOFIL-JOCHJYFZSA-N 495.004 5.294 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C(F)(F)F)c1 916217630 SAOYHYHPCHQFSF-LJQANCHMSA-N 479.524 5.011 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(s1)-c1ccccc1CC2 916882807 CZBHPWAMFPKYMS-SFHVURJKSA-N 454.523 5.790 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916907456 IEASHFOJENUKGT-NRFANRHFSA-N 453.523 5.492 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c2c(C)c(C)sc2n1 916944507 GMPAJSWQMGFSTR-OAHLLOKOSA-N 479.414 5.363 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccc([C@H](C)CC)cc3)cs2)cc1 916948605 ICOUVRQFKWXVJW-HXOBKFHXSA-N 461.587 5.612 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1C 917042587 GLTUQKFOHYSNNT-MRXNPFEDSA-N 487.532 5.481 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(CSc2nc3ccccc3s2)n(C)c1=S 917457551 KGOGRTPKDIIMTM-UHFFFAOYSA-N 480.688 5.594 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c1=S 917460723 INAUWNPICCARRO-UHFFFAOYSA-N 472.536 5.237 30 20 JKED CCCOc1ccc(C=Nn2c(S)nnc2-c2cccc(Br)c2)cc1OCC 917593765 XNPMLWNHZXOGII-UHFFFAOYSA-N 461.385 5.066 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccc(F)cc2)n1 917682364 VNPQYBGQLTWHTP-DEOSSOPVSA-N 499.571 5.238 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CCCCO2)ccc1Cl 918394241 MUQKMIAFUIAGLN-SFHVURJKSA-N 497.444 5.016 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1 919667419 VNJCEGLVWNWSNQ-GOSISDBHSA-N 495.875 5.019 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 920016547 FDCISGKSOGQWSF-NLFFAJNJSA-N 459.571 5.450 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc(C)cc3Br)n2)cc1 920139366 SJSCHTXEIJBEGJ-IEODJVTJSA-N 453.361 5.779 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2cccc(Cl)c2)cs1 920364652 YJTDKBDPCQZJHS-UHFFFAOYSA-N 497.955 5.820 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806500 MHBLLBNQYNSROF-OAHLLOKOSA-N 468.916 5.785 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1 920871286 WLJQHIIGCLDHTP-BEFAXECRSA-N 494.444 5.545 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 920872264 KCCSATWUJMOIOD-HSZRJFAPSA-N 475.474 5.868 30 20 JKED CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 920893478 WDWLVQRPZBTGDN-IBGZPJMESA-N 498.539 5.213 30 20 JKED CC(=O)N(c1nc(/C=C2/CCOc3c(ccc(Cl)c3Cl)C2=O)cs1)c1ccc(F)cc1F 921138238 AOURYEXFONWCLA-WQLSENKSSA-N 495.334 6.462 30 20 JKED CC(C)CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 921254239 OJRUWSHVMBELLV-OAQYLSRUSA-N 493.551 5.127 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCCC4(F)F)cc3)CCC2)ccc1F 1786464833 JAESXIQRNMZSKH-NRFANRHFSA-N 469.507 5.199 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C(C)(C)C)cc2)CCC1)NC(=O)OC(C)(C)C 1787705549 XWWWYLCQPFSYTI-FQEVSTJZSA-N 457.615 5.026 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)CC[C@H]4CNc5ccccc5C4)cc3)CCC2)cc1 1788066240 CTRRZAQLOMFHEP-XMMPIXPASA-N 492.623 5.299 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4noc5c4CCCC5)cc3)CCC2)c1 1788439907 GHICWXRHSBREPA-SFHVURJKSA-N 468.557 5.242 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccccn5n4)cc3)CCC2)c1 1788924308 VEHJEXDFUZQCIE-LJQANCHMSA-N 463.541 5.023 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C)sc34)cc2)CCC1 1788944920 PHSYRGKJWZDXBU-MRXNPFEDSA-N 464.591 5.153 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCCC4(F)F)cc3)CCC2)c(C#N)c1 1789166126 HQSYZFXEFPOTET-SANMLTNESA-N 499.533 5.161 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCc4ccccc4[C@@H]3O)CCC2)cc1 1789448615 DNOYZBCJROVCQC-ARMFNRFLSA-N 458.602 5.185 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)c(CC)nn3C)CCC2)cc1 1789453258 RFWRPVZDQKYETL-IBGZPJMESA-N 455.002 5.152 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)cc1Cl 1789577044 OWRIJQVXEBJFOQ-MUFRIFMGSA-N 493.991 5.587 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)cc3)cc2)CCC1 1790152456 XMQITCLOKPLJCT-IBGZPJMESA-N 488.563 5.436 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)c(OC)c1 1790234786 KGGLMNIBVAPTTN-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C(F)(F)F)cn4)CCC3)cc2)c1 1790255677 FEGQBJUTNZIXFL-UHFFFAOYSA-N 492.501 5.353 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4csc5c4CCCO5)CCC3)cc2)cc1 1790287441 CDMGEGCCASOTQW-UHFFFAOYSA-N 457.555 5.006 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)cc2)CCC1 1790478124 NMCQLPVTZARZPZ-JOCHJYFZSA-N 477.561 5.048 30 20 JKED CN1CCC(CC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)CC1 1790785605 WBNKGULKJYJQAO-UHFFFAOYSA-N 498.549 5.057 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cc6ccsc6[nH]5)CCC4)cc3)c2c1 1790836631 SPFMMJHHMHLZEW-UHFFFAOYSA-N 480.553 5.039 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cccc3OC)CCC2)cc1)C(F)(F)F 1791305539 KRWMNOOGDWIWHH-UHFFFAOYSA-N 452.860 5.215 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccsc4)CCC3)cc2)cc1C#N 1792168269 GYPNEOCTWPQUDE-UHFFFAOYSA-N 473.598 5.397 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ncc(F)cc4F)CCC3)cc2)cc1C#N 1792169504 OSTXUHGJHAARAX-UHFFFAOYSA-N 490.510 5.080 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792283404 LBCAFXWZEYNTLM-NDEPHWFRSA-N 495.664 5.351 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1792393957 WIVMWOVYCWURQO-NHCUHLMSSA-N 483.653 5.370 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1 1796469551 CWDKOWACWJDCAQ-JTMVAAEOSA-N 478.596 5.250 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@H]4CCCC[C@H]42)C3)c1Cl 1799302869 ZSURHXDFZBEKJX-MNVGVQDPSA-N 454.014 5.070 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)ccc1F)c1ccc(Cl)cc1 1800686490 WCMFXHLVHWNXCZ-OOICKAIWSA-N 467.972 5.042 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)cnc2s1 1801159298 LQPMBPDVNVKIBK-BCDXTJNWSA-N 490.467 5.303 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1803089331 OCKFACXVMULSOU-AOYPEHQESA-N 453.671 5.852 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)C1 1806067610 XBVIRBRHEZRKKL-GOSISDBHSA-N 476.992 5.158 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1808703730 KAUNEXCXFWVACD-UGKGYDQZSA-N 475.511 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4c(s3)CCCC4)[C@H]2c2cccnc2)c1 1809772907 NWHORFRZEGMITH-BNAYCWRJSA-N 498.652 5.282 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1810173609 IZSBFGKAIXAFBO-GEQKSPFYSA-N 490.406 5.616 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1810443212 FVDVWHIYBUYBNH-KWXIBIRDSA-N 471.645 5.277 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1811466166 IITQHJUWLKMXFE-AUUYWEPGSA-N 486.321 5.059 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1811858036 IQEDUNSYBLDDGS-SQHAQQRYSA-N 488.676 5.384 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 1811952127 UTWAWPAFIBSFRO-YTMVLYRLSA-N 480.612 5.029 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1)C(F)(F)F 1812678535 FZBUKHGJCXNXEI-XUZZJYLKSA-N 497.492 5.326 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1813828251 ZSLYJMMYLBUGEB-URXFXBBRSA-N 451.998 5.131 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(C)(C)C#N)n[nH]1)c1ccc(Cl)cc1 1814570830 WRZIEHKMTJTOIL-TZIWHRDSSA-N 455.990 5.045 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COc2cccc3ccccc23)[nH]n1 1814824551 YHPFPNKDVDFSBB-DEOSSOPVSA-N 472.589 5.402 30 20 JKED COc1ccccc1CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1815012386 CDQLEKQMVOSPBB-HSZRJFAPSA-N 494.712 5.094 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2ccc(Cl)c(F)c2)n[nH]1 1815149237 JMHUODOXJKHBKQ-OAQYLSRUSA-N 474.964 5.042 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)s3)n[nH]2)c1 1816400311 JEPKGQVRFFKFSZ-KDOFPFPSSA-N 467.982 5.371 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1Cl 1818812692 KBBKHWUGQZYIFB-LEQVUBRHSA-N 499.958 5.700 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)[nH]n1 1819311246 RVCOZJZUCASRJU-VQIMIIECSA-N 456.974 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)[nH]n1 1819554508 DKFQUOXTIMKMAO-FQEVSTJZSA-N 465.623 5.626 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(ccc4ncccc43)s2)n[nH]1 1820093621 NBNMWRJWWJHCOM-LJQANCHMSA-N 472.574 5.028 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)c1 1820434738 KZXNMMMJVOYPRD-HXUWFJFHSA-N 498.370 5.216 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(F)c(C#N)c3)n[nH]2)CC1 1820914376 SZFXVVWHLSRVQP-HSZRJFAPSA-N 479.600 5.262 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccccc3Cl)[nH]n2)c(Cl)c1 1821276133 FXSASIJLKJNHJJ-NRFANRHFSA-N 482.371 5.137 30 20 JKED C[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310373 RGYQMCFEAJKDFU-HEFCMCLBSA-N 473.499 5.042 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C3(C#N)CCC3)CC4)ccc21 1821425061 SLUAHHQNOPXKFS-GOSISDBHSA-N 497.624 5.191 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sc(C)cc3[nH]2)n[nH]1 1821440287 DKUAZMOIRCRETB-OXQOHEQNSA-N 451.596 5.335 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2Cl)N(C)C)n[nH]1 1821759455 NBRKHZCSYKXGAA-UPVQGACJSA-N 484.044 5.127 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1821928783 PBHXKODGQXWTMM-UGSOOPFHSA-N 452.452 5.086 30 20 JKED O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824415247 YLBZNQUHZLSOMQ-NRFANRHFSA-N 466.931 5.006 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1825565825 AEHLYJLFOYKFGR-RBBKRZOGSA-N 475.077 5.293 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC)cc2)CC1)c1ccccc1 1826851966 YBLOSCJVRZQSAR-NSOVKSMOSA-N 471.645 5.159 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827715622 ZCYKJBJZEYXZJV-XMMPIXPASA-N 461.606 5.077 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c1 1828009568 FPNBGDOFLSAEKP-HHHXNRCGSA-N 469.560 5.398 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166061 HCTHXJRFWJBCJY-FXAWDEMLSA-N 490.069 5.589 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)ccc2n1 1828234807 NBAKMHMHFLFUCI-MHZLTWQESA-N 484.575 5.101 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828507930 JYTFSIYCLIERIG-QHCPKHFHSA-N 482.422 5.139 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)c1 1829675938 MEQOSOGISDIPKZ-NSOVKSMOSA-N 487.644 5.240 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)c1 1829775755 GJQJGXIGADLATP-OAQYLSRUSA-N 481.021 5.302 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)CC1 1830944088 IBGVSGSFCFVWAY-DEOSSOPVSA-N 463.622 5.178 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1)C(F)(F)F 1831452819 CWWKOAMIRNUAQR-FQEVSTJZSA-N 486.962 5.479 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1831521129 PUDXCJSLPMKOEZ-NEKDWFFYSA-N 471.645 5.488 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCC(C)(C)C)CC1 1831577185 DURGCXHTSTWBBR-QHCPKHFHSA-N 462.675 5.112 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1831859077 ADLZESAWJWKJCI-VWLOTQADSA-N 456.590 5.039 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1832030643 RMULBBJZHXPALW-QFIPXVFZSA-N 488.554 5.009 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1 1832634892 XASJZMFIOOZKTD-KDYSTLNUSA-N 475.608 5.319 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccoc1C)C2 1845227164 SKJATEYOBMTPAC-QFIPXVFZSA-N 489.657 5.049 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](C)C#N)c2)C3)c1Cl 1846784988 VBMFYEFLMBDPEQ-HNNXBMFYSA-N 456.373 5.060 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(-c2ccccc2)cn2ccccc12 1847475810 JQNMDNKXFBERJJ-UIOOFZCWSA-N 493.994 5.127 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccccc2Cl)cc1 10826071 IXRJGGKEKPMBBM-UHFFFAOYSA-O 474.831 6.003 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1ccccc1OC 11810703 JNSDFKAPSKKBPD-UHFFFAOYSA-N 462.547 5.185 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)c1C#N 12577071 MYKPIBWNXIRPKY-UHFFFAOYSA-N 491.617 5.143 30 20 JKED C=CCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14056203 VIBIQIYHNBWDRP-UHFFFAOYSA-N 489.557 5.295 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccc3c(c2)CCCC3)cc1 15248405 OYJBGDLVMSCUJL-UHFFFAOYSA-O 480.053 6.183 30 20 JKED C=CCN(C(=O)c1cc(Br)c(OCC)c(OC)c1)c1nc2c(s1)CCCC2 15968798 GAQZBORIYOABSB-UHFFFAOYSA-N 451.386 5.025 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 15995776 DVIVHXBVPYCUNO-UHFFFAOYSA-N 465.582 5.947 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)n2C)c1 16617631 KKAFFHCKEKGTKA-UHFFFAOYSA-N 462.623 5.317 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2CC)cc1 22731090 ULXVBRXUKUBZPZ-UHFFFAOYSA-O 474.433 6.293 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1 22731168 HEWDZDUIKCFYMN-UHFFFAOYSA-O 453.534 5.191 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccoc1C 23518980 ARPRFMXKDUIGNX-OAHLLOKOSA-N 450.520 5.101 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1ccc(OC)cc1 23554304 OQIUBLHFFDFYAY-LJQANCHMSA-N 477.634 5.249 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@@H]2c2ccc(OC)cc2OC)c1=S 23852167 RQCWVXYOMSSMDI-OAQYLSRUSA-N 484.597 5.130 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 26037258 CJMLLJVERKRFRS-SFHVURJKSA-N 480.609 5.031 30 20 JKED O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 29512386 AMJKXXCNSXOJIE-ACCUITESSA-N 486.018 5.191 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 36821471 YDZIIFIGDFCAGX-SFHVURJKSA-N 468.598 5.733 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2CC(C)C)ccc1Cl 45633145 VGFYRTOAEUHWNW-UHFFFAOYSA-N 457.987 5.195 30 20 JKED CCCCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2ccccc2c1=O 46581870 HJOBODYVESFCLK-LJQANCHMSA-N 474.611 5.289 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(Cl)ccc2Cl)=C(/S)Nc2cccc(Br)c2)c1 216353336 FSYLTRATMVVMFA-UHFFFAOYSA-O 495.249 6.403 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1c2ccccc2CC[C@H]1C 217155407 RBHWDJFAYMBDRS-QGZVFWFLSA-N 469.010 5.157 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)nnc1-c1ccc(OC)cc1 255933685 NIPHCIINMPCVDH-UHFFFAOYSA-N 491.642 5.378 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)CSCc1ccc(C#N)cc1 302972482 SMIXAUYHAFWKEO-CALCHBBNSA-N 456.011 5.487 30 20 JKED CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 410405103 QHFFVLBPYKZXRQ-UHFFFAOYSA-N 486.330 5.180 30 20 JKED COc1cc(CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1SC 476516099 RTDUSQZKLRXQQV-UHFFFAOYSA-N 461.587 5.726 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 482263999 FSGIEGIPPCVEJP-UHFFFAOYSA-N 463.493 5.864 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])s2)cc1 487292268 TZAXIJXRIBBMAI-UHFFFAOYSA-N 478.477 5.263 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1Cl 498918386 LABKCJQAKCPITG-UHFFFAOYSA-N 477.417 5.592 30 20 JKED C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cn2)C[C@@H](C)O1 499644235 SLAYBSVGOUBOPC-IECBHUPTSA-N 490.007 5.326 30 20 JKED COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)CCC#N)c1OC 500179036 VLYQIKVMSHIFPS-ONZPZFSWSA-N 455.558 5.361 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 501164122 SRWXDZCJSBKHNS-UHFFFAOYSA-N 470.953 5.056 30 20 JKED CC(C)c1ccc([C@H](NC(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)C(C)C)cc1 502851312 JRNUWYOFQCLBMZ-XMMPIXPASA-N 480.406 5.273 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 503580012 VBGQAJPGIUZTGN-IBGZPJMESA-N 476.602 5.028 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(-c2ccsc2)n1 506101179 OBEIQPHQHADFSJ-UHFFFAOYSA-N 461.037 6.174 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 508280906 QYGATESHYMDELH-GOSISDBHSA-N 470.529 5.369 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(-n3c(C)cnc3O)cc2)cc1 508284474 FAOHBYCHDXGDDL-GOSISDBHSA-N 483.528 5.442 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1Cl 509646090 HTJMCWJZGSYJNX-HSZRJFAPSA-N 462.962 5.041 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1Cl 510055052 KVCQWPXANRAQSH-XMMPIXPASA-N 467.960 5.771 30 20 JKED Cc1ccc(NC(=O)COc2ccc(CCNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)cc1 510763149 MBZPWMXEMKVXOI-UHFFFAOYSA-N 470.573 5.178 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)Cc2cccc(C#N)c2)c(OC)c1 512965826 DNGVEOSWWZMTOJ-UHFFFAOYSA-N 453.542 5.315 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515446615 FIOUORZDHOTVRH-AWEZNQCLSA-N 482.309 5.118 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc4nc(C(F)(F)F)ccc4c3C)n2)cc1 516714093 PBEWRPJVCSEGCZ-OAHLLOKOSA-N 473.501 6.246 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2Cl)c1 517132109 WVVYEOQURBHXLV-UHFFFAOYSA-N 486.959 5.738 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 517437949 OXFVGZDNMWKSRD-UHFFFAOYSA-N 454.417 5.531 30 20 JKED CCOc1ccc(NC(=O)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 517960433 APZYLFLSPGOTNW-UHFFFAOYSA-N 464.909 5.163 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3csc(-c4ccoc4)n3)s2)c(C(F)(F)F)c1 518112556 IOXLRZYZQZATMS-UHFFFAOYSA-N 460.462 5.593 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCC(=O)Nc1ccc(CC#N)cc1 519946423 FVUZSIDGONVABM-UHFFFAOYSA-N 466.463 5.383 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 519954357 SIFPCSBQMALMCZ-XNMGPUDCSA-N 482.584 5.113 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N 520197997 XBXARHNJMWIIJQ-HNNXBMFYSA-N 475.412 5.302 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc(-c2c(F)cccc2F)cs1 520427620 RALSHWMWPLNKNO-LJQANCHMSA-N 486.503 5.805 30 20 JKED Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)Nc4ccccc4SC[C@H](C)C#N)CC3)n2)cc1 520858137 ONGXGSITNCBQFR-UXHICEINSA-N 490.633 5.208 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 520924467 XOPRPFFMELVFKU-IAGOWNOFSA-N 473.545 5.173 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 520940168 HNGIQPVCEQCGMG-GOSISDBHSA-N 474.590 5.119 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 521327122 SJRQPCOSLCVPGH-HNNXBMFYSA-N 467.934 6.687 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 521797988 XFOMRVCQSNHIBP-IBGZPJMESA-N 470.573 6.254 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NCc3ccc(-c4nc5ccccc5s4)o3)o2)cc1 524385675 MKPFTFXXRDBUEU-UHFFFAOYSA-N 455.495 5.530 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 524434362 NPCCCQRBESVNSW-UHFFFAOYSA-N 462.909 5.834 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 524441698 XPZBCKXOERQORM-UHFFFAOYSA-N 463.397 5.603 30 20 JKED CCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1cccc(C)c1 597874446 NAOBUOCAOZTHOH-LJQANCHMSA-N 463.607 5.100 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3COCc3ccccc3)cn2)cc1 603689965 VKVUZFIABXSIGX-UHFFFAOYSA-N 464.525 5.784 30 20 JKED N#Cc1ccnc(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)c1 603724827 DUMGNSXIUSBVHA-UHFFFAOYSA-N 468.913 5.404 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 604491376 UPRNEYGNQYOYDR-UHFFFAOYSA-N 451.473 5.192 30 20 JKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1 608806306 GYGQITSJCKZRCE-UHFFFAOYSA-N 485.927 5.913 30 20 JKED CC[C@@H](c1ccccc1)c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 609019395 SXWCITLUKQOJCF-MJGOQNOKSA-N 450.564 5.048 30 20 JKED Cc1cc(C)cc(N2CC[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2=O)c1 609072191 CENVJYKTNUYKMI-RUZDIDTESA-N 453.542 5.054 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609207865 OVNCGTCLVXBNLN-UHFFFAOYSA-N 466.541 5.393 30 20 JKED CN(C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)c1ccc(C#N)cc1F 609215981 BYSDQZAQFOWSCV-UHFFFAOYSA-N 468.271 5.081 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnc1-c1cccc(C)c1 609427094 BZDUOVVOXZZZQR-UHFFFAOYSA-N 469.570 5.668 30 20 JKED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)C1 613406884 ADLCHNLIAFCDQU-SPYBWZPUSA-N 488.034 5.106 30 20 JKED O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618543571 WLKIUWJONJAQDW-BETUJISGSA-N 498.420 5.253 30 20 JKED N#C[C@H](C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)c1nc2ccccc2n1C(F)F 619753783 GNHPDVXJZJETHU-HXUWFJFHSA-N 471.442 5.913 30 20 JKED O=C(NCc1cc(Br)ccc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 624415722 VKYIFHXJVAUNAB-UWVGGRQHSA-N 499.196 5.323 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nnc1-c1ccccc1OC 677655746 XTDCIRAOUYZIIX-UHFFFAOYSA-N 460.559 5.058 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1 726324992 IQVXHYGTQUADNM-GOSISDBHSA-N 475.551 5.090 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 726409571 BPIPGKWXPHRNQY-QMHKHESXSA-N 490.535 5.063 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)s2)cc1F 726410585 HUVNJDFOLQVLIN-NRFANRHFSA-N 483.590 5.365 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)cc1F 726412365 RJQJMAUGVSEUIV-QFIPXVFZSA-N 481.549 5.205 30 20 JKED CSc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccccc2)ccc1NC(C)=O 726570548 FGBAFHJGWFOGFX-UHFFFAOYSA-O 496.037 5.503 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2)c(N)c1 727530140 UDTSWTQZOUJTKA-UHFFFAOYSA-N 467.934 5.126 30 20 JKED Cc1cc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c(C)n1-c1ccc(C#N)cc1 728266342 SZNOPDUBUAMQFX-UHFFFAOYSA-N 468.536 5.342 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2CCCCC#N)c(Cl)c1 728780056 NBBXDARJSSTCOO-NRFANRHFSA-N 494.020 5.483 30 20 JKED C#Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(C)o2)CC3(C)C)nc1 729012142 KNVQIEYZPVXQRO-YFHOEESVSA-N 497.576 5.471 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1c(C(C)C)cccc1C(C)C 730444424 XWVUTQJCDBGRFX-HSZRJFAPSA-N 496.677 5.381 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 730685102 BQTLAQUXMARFFM-JYJNAYRXSA-N 455.313 5.759 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(Cl)cc2)s1 730717216 HKFISENNWYYLHH-KBXCAEBGSA-N 486.022 5.221 30 20 JKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc12 730994676 LPMVIAMZVNYFNN-UHFFFAOYSA-N 481.503 6.006 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 731065017 WTRKDKGOPJMIQR-NSHDSACASA-N 457.766 5.837 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731312515 MGUXWQUNFNCAIE-HSZRJFAPSA-N 487.606 5.767 30 20 JKED COc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 744746764 JJRCPMFBWLYOBI-UHFFFAOYSA-N 495.004 5.289 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccncc2)n(-c2ccc(OCC)cc2)c1=S 745161859 HZZZILDBUIFUDC-UHFFFAOYSA-N 482.613 5.381 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCOC2CCCC2)cc1 747042528 FDBWHXZUQUGOQC-QHCPKHFHSA-N 481.618 5.005 30 20 JKED COc1cc(C(=O)/C=C\c2ccccc2OCc2ccccc2)ccc1S(=O)(=O)C(F)F 747065598 BFXFFQOZQCPJRY-QBFSEMIESA-N 458.482 5.167 30 20 JKED C/C(=C/C(=O)O[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(F)(F)F)cc1 748383750 ANVMBLWRMKVHRA-FUOZMLNRSA-N 467.312 5.375 30 20 JKED CCOc1c(OC)cc(/C=C2\CC/C(=C\c3cc(OC)c(OCC)c(OC)c3)C2=O)cc1OC 750901809 XTHYAASRVGODCQ-AYKLPDECSA-N 468.546 5.348 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 751328859 ILQVRVSOAFAVRT-BAURHKQJSA-N 451.570 5.280 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1F 838572348 XINYMIXPZMGOIT-HNNXBMFYSA-N 458.317 5.252 30 20 JKED COc1cc(/C=C/C(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C 900790915 BBGOTEVXHMWERI-ZRDIBKRKSA-N 484.474 5.079 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1sc(Nc2ccc(C)c(Cl)c2)nc1Cl 912832158 TUACDRDQLBFSQP-UHFFFAOYSA-N 483.450 5.355 30 20 JKED COc1ccc([C@H]2[C@@H](C(=O)N(C)Cc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1 914450035 UPYUPJLDVLOHCQ-XCZPVHLTSA-N 467.569 5.018 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1 914545343 AOTCTXMEYQLYAX-XMMPIXPASA-N 489.597 5.002 30 20 JKED C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 915086518 LJASMKVWOYKSJQ-IBVKSMDESA-N 473.598 5.157 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1nc2ccccc2s1 915098758 CAAABAADECBHLK-CQSZACIVSA-N 464.900 5.456 30 20 JKED N#C[C@H](C(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3)c1nc(-c2ccccc2)cs1 915102238 QCXIKRWMOZKGRW-MRXNPFEDSA-N 492.651 5.509 30 20 JKED Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CC2)c1 915353743 QKEISSBCXZJYCV-GDLZYMKVSA-N 481.644 5.374 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(C)cc2)C1=O 916205481 OSWVNZDTJJWONO-HSZRJFAPSA-N 459.571 5.164 30 20 JKED CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1OCC(=O)N1CCCC1 916680468 HTWASQOLFUTWFX-SVBPBHIXSA-N 496.611 5.616 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)c1 916846430 VHNIEUCZTVEXSL-LJQANCHMSA-N 462.552 5.171 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916928510 MWCYTWKGLPGIGT-INIZCTEOSA-N 499.741 6.054 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043888 OWRSJVSVJHCRKS-HNNXBMFYSA-N 492.885 6.151 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc2cc(Cl)ccc2s1 917047158 SCLPIQZBCUUHFF-GOSISDBHSA-N 458.930 5.666 30 20 JKED N#Cc1cccc(COc2cccc(/C=C3\SC(=S)N(c4ccccc4C#N)C3=O)c2)c1 917645161 SMWQFEBXKQTSEI-QRVIBDJDSA-N 453.548 5.415 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2ccsc2)C1=O 917670099 LACCRMVJJXCWKB-QFIPXVFZSA-N 479.627 5.534 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2Cl)n1 917676530 SHDBCMPVNBTWFS-OAQYLSRUSA-N 482.968 5.343 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(CC(F)(F)F)C1=O 917711565 BGUXFTBNEAVQRH-IBGZPJMESA-N 479.524 5.341 30 20 JKED CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 919652618 APYJFINEUMVPEF-UHFFFAOYSA-N 494.595 6.225 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)cc1C 920352605 QPRKBWQODAJEGJ-QFIPXVFZSA-N 480.565 5.208 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3cc(C)on3)C2=O)cc1 920353101 AUQYPKBULRDUQF-JOCHJYFZSA-N 462.575 5.069 30 20 JKED C=CCOc1ccc(/C=C2/SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1OC 920473944 ZLSKLXUCRGXWQD-JJIBRWJFSA-N 480.655 5.126 30 20 JKED N#C[C@@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920804427 QKPNTAUSMXFKBB-SIKLNZKXSA-N 487.531 5.306 30 20 JKED CCOC(=O)c1c(CSc2nc(O)c(C#N)c(-c3ccc(OC)cc3)n2)nc2ccccc2c1C 920927020 FJCHSJXCMUMQRB-UHFFFAOYSA-N 486.553 5.055 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)c(F)c(OCC)c3F)CCC2)cc1 1786679081 AWFPUEGULOXREU-UHFFFAOYSA-N 478.536 5.170 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)CC3CCOCC3)cc2)CCC1)c1ccccc1 1787922711 TWLMHULXCXINPC-AREMUKBSSA-N 458.602 5.134 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4c3OC(C)(C)C4)cc2)CCC1 1788497597 RNQJKMATGOVAMA-UHFFFAOYSA-N 462.590 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3csc(-c4cccnc4)n3)cc2)CCC1 1788674838 OLEVTXPDQJTTHO-JOCHJYFZSA-N 472.614 5.721 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCCC4(F)F)cc3)CCC2)c(C#N)c1 1789166125 HQSYZFXEFPOTET-AREMUKBSSA-N 499.533 5.161 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N4CCOCC4)cc3)CCC2)cc1 1789453599 BSRLFPVPYJTOEJ-SANMLTNESA-N 473.617 5.039 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OCCO4)CCC2)cc1 1789508082 JTLYNCMXNUZTPW-UHFFFAOYSA-N 490.676 5.257 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)CCC2)cc1 1789625589 JSLUETYFGIWURY-UHFFFAOYSA-N 495.664 5.560 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1790510960 AMHIJMPGXDEDTH-UHFFFAOYSA-N 480.948 5.343 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nccn45)cc3)CCC2)cc1C#N 1790915050 CTLZRVRZXYQVGR-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)cc2)CCC1 1791033066 DLJYRSSNDCGEOD-JOCHJYFZSA-N 469.626 5.170 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C)CCC2)cc1 1791243533 SHHPNKXGZWZPEO-TXTKFYIRSA-N 483.653 5.226 30 20 JKED C[C@@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1791909356 UMVSGBMQVOJNCP-DXRVJIQQSA-N 462.571 5.093 30 20 JKED Cc1sc(-c2ccccc2)nc1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2 1794248683 IYPMACXPWZOSHB-TZAMREQXSA-N 498.652 5.240 30 20 JKED CC[C@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2)c1ccccc1 1795575408 ZSBDWLOQDJSAFE-XQURSTJCSA-N 457.618 5.395 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccc(Cl)c2)CC1 1797671640 FJJOZQDWCNRSPM-NUNAXRQHSA-N 471.117 5.061 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1802496551 JODNSTRWILJRHO-XUZZJYLKSA-N 480.052 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccnc1 1802748007 OXFFRRJAUCAGFJ-KNQAVFIVSA-N 489.538 5.292 30 20 JKED CC(C)=CCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1807987082 DLVOPIBQNOZJRA-IGYGKHONSA-N 491.635 5.547 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810107961 PBIHOKKVMVPCIS-SYYKKAFVSA-N 471.692 5.322 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810601633 HVVVVXGUVUYVCM-NVQXNPDNSA-N 482.024 5.035 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811788195 JUNXKONBHHZDOU-LYHRCORUSA-N 490.406 5.616 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1813228959 HCSHIUYZXBAENH-LVXARBLLSA-N 486.443 5.221 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)Oc3ccc4ccccc4c3)[nH]n2)C1 1814396683 LUTWFOXZYKLBNT-DEOSSOPVSA-N 472.589 5.379 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)[nH]n1 1814823704 DJHDBNCVBRLJSI-HXUWFJFHSA-N 474.577 5.241 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCc2ccncc2)n[nH]1)c1ccccc1 1815940894 BJPWFLKEYNFXGB-AZGAKELHSA-N 483.616 5.017 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)n[nH]1 1816179696 AGBQBOVIKMQNSN-CRAIPNDOSA-N 493.942 5.134 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@@H]4CCC[C@H]5CCCC[C@H]54)n[nH]3)c2c1 1818930827 DAUYIQYLAPSIOQ-DBYOASNMSA-N 499.619 5.070 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc([C@H](C)C#N)c1)CC2 1819979398 RWZOYZNGUNXKDA-HWIYTKFHSA-N 474.586 5.001 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4c(Cl)ccnc4c3)[nH]n2)cc1 1821182270 YCESJXVNLFTOHJ-DEOSSOPVSA-N 498.974 5.297 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc(F)c(F)c(F)c3)[nH]n2)c1 1821326373 VKLSJKLPUOWHEU-IOUFHMPJSA-N 493.489 5.026 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[nH]n1 1822396721 ZAEXRBOSOUQORP-LJQANCHMSA-N 480.918 5.120 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1)c1ccc(O)cc1 1822469335 KYOUILJMBIQYBA-JTPXSGRQSA-N 496.558 5.050 30 20 JKED Cc1cccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)[nH]n1 1823125602 BNDJILLDCQIWEK-QFIPXVFZSA-N 489.551 5.136 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)[nH]n2)c2ccccc12 1823603810 ISZWZIPJPLRQFX-VWLOTQADSA-N 480.572 5.010 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(Br)c3F)CC2)C1 1823698136 JFLHPMCFTIBYPQ-JOCHJYFZSA-N 491.445 5.107 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c4ccccc4n4ccsc34)CC2)C1 1823702652 SBBHCUUAMNYLNR-QFIPXVFZSA-N 461.631 5.354 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1 1824137448 KLEHNVYNEGGDFJ-QHCPKHFHSA-N 489.701 5.068 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1824539976 YHKXWQYSZWMASC-AZUAARDMSA-N 457.467 5.181 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)c1Cl 1826529471 ABCMHXPJDRSHJL-JHUUHBRDSA-N 461.993 5.158 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)F)no2)CC1)c1ccccc1 1827260627 PUMBALWNAYJYCN-GMAHTHKFSA-N 483.559 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827266552 NQJJBLJRVWUYLB-OAQYLSRUSA-N 488.097 6.175 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)cc2n1 1827277627 FWQGMIKXKOMESZ-QHCPKHFHSA-N 490.991 5.208 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827519045 BAVZCGPIGKWPLI-FQEVSTJZSA-N 477.983 5.574 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c1 1827775996 HCSFAQOBWASYDB-JOCHJYFZSA-N 487.522 5.036 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)cc1C#N 1827987020 NFIAPOOGTXDYIC-NRFANRHFSA-N 483.996 5.139 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2F)CC1 1828453503 IWQBTWSTXNWTEK-AOYPEHQESA-N 470.629 5.155 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)CC1 1828773037 IEBCHGQYMZRTOW-SIKLNZKXSA-N 460.709 5.617 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1828821412 MZYKDYJSSMIQKP-YADHBBJMSA-N 477.571 5.031 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1828830087 KOQUAQINAKQYDH-SQHAQQRYSA-N 499.655 6.430 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cc(OC)cc2F)CC1 1829068636 IOTOYAUHPUVBJM-JOCHJYFZSA-N 462.581 5.199 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1829100213 RCMAPRHBRUKLQW-VWLOTQADSA-N 493.648 5.340 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)c1Cl 1829690038 ZPTQMUFRNHCDHC-NRFANRHFSA-N 481.021 5.302 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830417646 GIDRHLGCXKOJTE-FIPFOOKPSA-N 489.660 5.696 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)ccc2[nH]1 1831035114 VFFSTJDYXUJQMF-MHZLTWQESA-N 491.752 5.761 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(Br)s3)CC2)C1 1832170162 GJGBHFDKJVTBNM-IEJURRBGSA-N 477.468 5.110 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Br)cc1 9145706 MHFBIYOWDMTEIW-UHFFFAOYSA-N 461.360 5.154 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 10167251 CNDFYLAFUROYJG-UHFFFAOYSA-O 479.669 6.849 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10168615 ZVWWLRATBBYIBB-UHFFFAOYSA-O 487.595 6.511 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2cccc(CC)c2)cc1 10174458 ZBMTWRYBNKALTD-UHFFFAOYSA-O 468.440 5.912 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)c(C)cc1C)=C(/S)Nc1ccc(F)c(Cl)c1 10759900 PDKWIGMRLCDBNP-UHFFFAOYSA-O 456.006 6.305 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2C(F)(F)F)c1 11157260 ZBABGZKXXZBKCU-UHFFFAOYSA-O 451.440 5.630 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 11159537 WCXXWKVWKAEYIH-UHFFFAOYSA-O 460.406 6.161 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 11171141 UWLAZQXPTCXWHK-UHFFFAOYSA-O 483.632 6.878 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1cccc(O)c1 11256637 WXPREYCHBYBGOF-UHFFFAOYSA-O 476.803 5.455 30 20 JKED Cc1nn(-c2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2)c(C)c1Cl 14621428 NGNXJQLBPQSTSQ-UHFFFAOYSA-N 481.006 5.410 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)nnc1-c1ccccc1 16696697 RIFRAMNHGARIJU-UHFFFAOYSA-N 488.592 5.173 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)c1 21761705 DKCOWLHDOPGZGB-KRWDZBQOSA-N 453.999 5.180 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)cc1 22696081 VFTPJMQZEWFYLT-UHFFFAOYSA-O 455.578 6.063 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)cc1 22727262 HJZFZXOXSCCTFJ-UHFFFAOYSA-O 467.561 5.581 30 20 JKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2ccc(C)s2)[n+]2ccc(Cc3ccccc3)cc2)c1 22730244 GHCPCAFBNHXWQX-UHFFFAOYSA-O 471.671 6.603 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 23123720 IQPPTZKDFIAICO-UHFFFAOYSA-N 488.573 5.754 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2ccc(SC(F)F)cc2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 23602873 LWDLOIVYSBJMLH-UHFFFAOYSA-O 475.610 5.351 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(C)[nH]c1C)[n+]1ccc(Cc2ccccc2)cc1 23604492 HFNBJBCUZGWNRO-UHFFFAOYSA-O 468.646 6.123 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccc(Br)cc1 24639445 VBLNGJXFBRCRDU-CQSZACIVSA-N 485.407 5.216 30 20 JKED Cc1sc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c(C#N)c1C 25351077 LZQVMKSISXBYQP-UHFFFAOYSA-N 463.563 5.354 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 25839549 WTSVLIRMRCBIIN-UHFFFAOYSA-N 450.542 5.660 30 20 JKED N#C[C@@H](C(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1)c1nc(-c2ccccc2)cs1 26119349 FBQUMIVWBAVHJQ-SFHVURJKSA-N 486.557 5.047 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1OC 26312575 XBPGTJJCITVHJV-JOCHJYFZSA-N 462.384 5.281 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)nnc1-c1ccc(Cl)cc1 27291214 SZSMPYRGFKYITP-MRXNPFEDSA-N 496.036 5.103 30 20 JKED CCCn1c(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nc2ccc(C(F)(F)F)cc21 68769488 LNATZTBGLPUNEK-UHFFFAOYSA-N 484.507 5.253 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1Cl 107648185 YMLLRXGOGQLATG-HXUWFJFHSA-N 495.391 6.430 30 20 JKED CCOc1ccc2nc(SCCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)[nH]c2c1 115424340 JGVPYVHPNZBAPH-UHFFFAOYSA-N 463.563 5.014 30 20 JKED Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C[C@H]1CCCO1 241316986 LWRBUPOZHURBBA-UTKZUKDTSA-N 472.010 5.096 30 20 JKED Cc1ccc(C)c(SCc2nc(O)c3c(C)c(C(=O)N(CCC#N)CC(C)(C)C)sc3n2)c1 303240676 JJWZAUITEIOFAR-UHFFFAOYSA-N 482.675 6.016 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 303344762 ZHUABFMESBHXIC-AWEZNQCLSA-N 454.646 5.695 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](Cc3ccccc3Cl)c3ccccc3)CC2)c1 409610502 FXLOGERYDWZODQ-SANMLTNESA-N 487.003 5.556 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)c2c[nH]c3ccccc23)c1OC 481663125 VSVGKFXDFYVWKE-NRFANRHFSA-N 458.493 5.149 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N[C@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)c2)cc1 482730529 GVSXVOQCMCXQTR-XMMPIXPASA-N 493.485 5.463 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)CC)cc2)c1 484165337 YOVMJQGRVMBJEG-UHFFFAOYSA-N 498.004 5.322 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](c4nnc5ccc(C(F)(F)F)cn45)C3)c2)cc1 484889509 BYDJQJQTSSQGIL-LJQANCHMSA-N 491.473 5.432 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1 491570641 RVFLCSZOJMFXIE-DEOSSOPVSA-N 460.622 5.452 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2ccco2)nnc1-c1ccc(Cl)cc1 499338432 VHBLUXCEFPEHJA-JOCHJYFZSA-N 464.978 5.375 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCCc3cc(OC)ccc32)nnc1-c1ccc(Cl)cc1 499932208 RMNBIMSYYRZUMS-OAQYLSRUSA-N 469.010 5.079 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 502864274 SVCMWBXLAOFKPI-MRXNPFEDSA-N 498.505 5.794 30 20 JKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 508242543 NALYYLWWXQTMBU-KRWDZBQOSA-N 461.518 5.649 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1Cl 510007777 XEFBOAQCBGIDLH-NFBKMPQASA-N 473.001 6.974 30 20 JKED C[C@H](COc1ccc(F)cc1F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 510620477 VKJCBMQFCUPGHW-QGZVFWFLSA-N 451.473 5.199 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 510798626 PUQYFMZTYSXDSV-UHFFFAOYSA-N 456.493 5.053 30 20 JKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511461893 NFEIKBKXHQDUIQ-XMMPIXPASA-N 471.557 5.002 30 20 JKED C=CCn1c(SCC(=O)N2CCCc3cccc(OC(F)F)c32)nnc1-c1ccc(Cl)cc1 511506820 JOIADUYUVJTSRW-UHFFFAOYSA-N 490.963 5.457 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)c2)cc1 512227290 LIWCNIUEZKJINY-UHFFFAOYSA-N 459.590 5.135 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)cc1 513727626 MMCYWULVCFTMTI-UHFFFAOYSA-N 485.569 5.288 30 20 JKED C=CCn1c(SCCCc2nc(-c3ccc(C)c(F)c3)no2)nnc1[C@H]1COc2ccccc2O1 515176698 KFLQKFJQLFPQJX-OAQYLSRUSA-N 493.564 5.199 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCCc3ccccc32)C(C)C)nnc1[C@H]1COc2ccccc2O1 515182993 QDCPLLMBEVHNDY-RPWUZVMVSA-N 490.629 5.073 30 20 JKED C=CCn1c(SC[C@@H](O)COc2c(Cl)cccc2Cl)nnc1-c1ccccc1F 515320998 OSXIXTNSSBVVDH-ZDUSSCGKSA-N 454.354 5.109 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)ccc2c1 516049112 PUKHXAHEAHUHPG-UHFFFAOYSA-N 499.954 5.763 30 20 JKED COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2SC[C@H](C)C#N)cc1 518140510 VSGUQAOAPJMKLD-FQRUVTKNSA-N 484.625 5.737 30 20 JKED Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)n1 518818354 YDIGRYMHFHPUQG-JOCHJYFZSA-N 470.598 5.045 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 519406011 ZGNJUDGNVBSRDO-UHFFFAOYSA-N 457.349 5.879 30 20 JKED N#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc(Cl)c1Cl 519485101 FIQNLXIILKZTHZ-LJQANCHMSA-N 496.322 5.067 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)nc(O)c2c1C 521497407 JCJCGEXVGIRKGD-INIZCTEOSA-N 490.610 5.938 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2ccccc2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 521811819 VQQBTVMSKCDNQP-HXUWFJFHSA-N 454.534 5.022 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(OCCCC(=O)O)c(C)c1 523186672 QTKQXRMCBOEGCP-UHFFFAOYSA-N 480.542 5.012 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCCN3CCc4sccc4C3)cc2Cl)c1 524440081 XQAXPUZAKNDKJQ-UHFFFAOYSA-N 466.994 5.032 30 20 JKED C[C@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCC2 598881512 BARDQPLXJOARGK-JTQLQIEISA-N 495.413 5.497 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 600839967 ZQRKTNPAFNSHNY-QFIPXVFZSA-N 479.924 5.348 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)n2)cc1 603440511 SJCNVDZEGYADTA-UHFFFAOYSA-N 457.412 5.278 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)cc1 603649102 WQGZQGLRBZTLHZ-FICVDOATSA-N 476.446 5.637 30 20 JKED CCn1c(SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nnc1-c1cccs1 603673321 FBKKVBSMBWDSLG-IBGZPJMESA-N 494.045 6.066 30 20 JKED C=CCN(C(=O)Cc1csc(-n2c(C)ccc2C)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603728549 CHIHHRRFMGEAQP-UHFFFAOYSA-N 479.587 5.344 30 20 JKED CCN1C[C@H](CN(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)Oc2ccccc21 603828361 VQSDBIPIGXJRQG-VWLOTQADSA-N 470.573 5.083 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)o1 603961181 OFHFKYAWQIJSJR-UHFFFAOYSA-N 450.344 5.185 30 20 JKED Cc1cccc(-c2nc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cs2)c1 604003667 KRHIGKNAPTYRMK-UHFFFAOYSA-N 453.567 5.945 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604160009 RGJUQBCGULPAIB-IBGZPJMESA-N 472.397 5.698 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12 604446210 IARKTDFQOJGJPL-UHFFFAOYSA-N 492.461 5.066 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)CC2)nc1 608951445 KHTMPEMLCHLETF-UHFFFAOYSA-N 493.976 5.065 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609062842 IBRMFWKJKFTWEI-GOSISDBHSA-N 494.016 5.798 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)c2)cc1 609209281 ZYLAISCSHHHXAY-UHFFFAOYSA-N 475.552 5.630 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609439522 QSHPCERQRLQIQU-UHFFFAOYSA-N 480.524 5.035 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c1 613402721 GFOANAPHLUPHJT-LJQANCHMSA-N 481.986 5.265 30 20 JKED Cc1nc(C(F)(F)F)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 614386854 UVYLWHSCKRTUMY-CYBMUJFWSA-N 456.276 6.329 30 20 JKED C=CCN(C(=O)c1csc(-c2ncccn2)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 614509570 MPVHUQSINVQBCV-UHFFFAOYSA-N 481.606 6.223 30 20 JKED O=C(NCc1ccccc1OCC(F)(F)F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615871997 XMLVRJNCHVLWMT-VXGBXAGGSA-N 466.344 5.336 30 20 JKED O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cccc(C#Cc2ccccn2)c1 640563565 GTUAKIDHDGOQIF-UHFFFAOYSA-N 459.958 5.352 30 20 JKED Cc1nc(COc2ccc(C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc2)no1 642281525 OHQFAPCHBRYBJB-BSMLIHBTSA-N 474.586 5.371 30 20 JKED CC(C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/CCc1ccccn1 726112704 XFUFBAYMXYXJME-LCNAWROFSA-N 492.567 5.018 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1oc2ccccc2c1CSc1ncccn1 726320138 SZICFCDGIASVSD-FQEVSTJZSA-N 484.581 5.601 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726322372 WGNFLNBAQHAXDA-KVZIAJEVSA-N 478.420 5.286 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(CC[C@H](C)OC)C2=O)c1 726401674 UTBRPBFOKMLEFH-BTYIYWSLSA-N 490.025 5.042 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OCCC)cc3)C(=O)N2Cc2ccccn2)c1 726409423 ATWVXEORNPZGCS-RUZDIDTESA-N 498.608 5.012 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC(C)C)cc1 726416709 ZYVLLNYXWDAHMI-HXUWFJFHSA-N 489.519 5.086 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-])c1cccs1 726421942 TVYLQUYQRRGKKJ-NDKFBNENSA-N 494.598 5.246 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1c(Cl)ccc(C)c1Cl 728429417 HKZZVPWMBJLOGP-KRWDZBQOSA-N 496.416 5.299 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)Nc3c(F)cc(F)cc3Br)c2)cc1 728668845 BOOUSDSRNKOPLK-UHFFFAOYSA-N 487.256 5.187 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1cccc(Cl)c1 728779346 YPVZTSKTUQZMIU-LJQANCHMSA-N 475.401 5.648 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 729186535 JOGAMCVHYLCLIE-UHFFFAOYSA-N 471.582 5.246 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Br)c2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730461747 RTBWJDYBKDRWJX-SFHVURJKSA-N 494.361 5.240 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 730687858 QDTMZVZJAFOPKR-IEBWSBKVSA-N 484.668 5.659 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2cc(F)ccc2s1 730696609 YZWOOQKECKHZPE-KSFYIVLOSA-N 454.885 6.224 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2cocn2)C1=O 730710916 UXLJGRUHYCHYGK-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)cc1C 730710984 WLFXFACRAITBSZ-DEOSSOPVSA-N 484.581 5.605 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cc3ccccc3o2)C1=O)Nc1cnccn1 730715135 JWXHFEAXYVKRLD-HXUWFJFHSA-N 491.960 5.037 30 20 JKED Cc1ccc2c(c1)[C@@H](N1C(=O)[C@H](CC(=O)Nc3cnccn3)SC1=Nc1ccc(Cl)cc1)CC2 730717477 NFNJSMKRSSEJPA-SFTDATJTSA-N 492.004 5.086 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 730953610 MBIWRIQIGQVYJK-PZJWPPBQSA-N 492.670 5.854 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12 731074753 VQXVMAVLKPBZAZ-GOSISDBHSA-N 499.567 6.088 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCc2ccc(F)cc2)C1=O)Nc1cccc(O)c1 731313518 YPPRSMDAZFQNDE-QFIPXVFZSA-N 499.514 5.013 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743449584 RWQHQGRVFOBHRB-AWEZNQCLSA-N 450.734 5.731 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCN(CC3CCCCC3)CC2)cc1 744780372 LZXXPJUCLKXCQE-UHFFFAOYSA-N 460.622 5.498 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3CC)N(Cc3cscn3)C2=O)cc1 747600435 BBPRWPJILIUYPU-QFIPXVFZSA-N 494.642 5.265 30 20 JKED C[C@H](SCc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 750290911 FENXXGJZDFFZCG-LURJTMIESA-N 463.777 6.315 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)nnc1-c1ccccc1 750391321 GAVPKWDZZOSYHL-RDJZCZTQSA-N 467.982 5.009 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N([C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C1=O)NC1CC1 750915671 IDVDQRKCIOCVTJ-BEVDRBHNSA-N 491.510 5.001 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)c(Cl)c1 799216064 ZYANCANHHZMLSS-KRWDZBQOSA-N 483.874 5.091 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccccn1 837285564 OYIQLFHJVBMYOY-GCJKJVERSA-N 476.577 5.559 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1F 838570445 FEQCCAXWZJSNAE-GOSISDBHSA-N 485.478 5.744 30 20 JKED C[C@H](OC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 857749914 HQMCYWAUJBEASP-KRWDZBQOSA-N 472.566 5.309 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 915085047 DSHROAQKXIRISP-LADGPHEKSA-N 478.379 5.892 30 20 JKED CCOc1cc(/C=C\C(=O)c2sccc2Br)ccc1OCC(=O)Nc1ccccc1 915112664 HCTSEUVIRGSEKN-NTMALXAHSA-N 486.387 5.823 30 20 JKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)c1cc3c(Cl)cccc3s1)CCCC2 915376063 IKYFSISSIFUXAZ-OAHLLOKOSA-N 498.004 5.081 30 20 JKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(C#N)cc2)NC(=S)N1c1cccc(C)c1 916167879 FXVOSILDGVBHBL-DEOSSOPVSA-N 456.546 5.354 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCc2ccccn2)C1=O)Nc1cccc(Cl)c1 916207308 YRZLCKJGPJZUBI-OAQYLSRUSA-N 482.968 5.077 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(C2CC2)C1=O 916213143 ZWCFAZVLPPAAAO-FQEVSTJZSA-N 457.983 5.088 30 20 JKED N#CCOc1cccc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 916410773 DEUGZFQFHLJPSS-NBVRZTHBSA-N 470.510 5.676 30 20 JKED C=CCN(C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1)C(C)C 916706447 DDNHMFVBVSIEOE-UHFFFAOYSA-N 484.405 5.078 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 916823781 OZSYJPSTMDAEPY-UHFFFAOYSA-N 483.423 5.338 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 916886114 DXQCMKDVBWMWIW-HNNXBMFYSA-N 463.918 5.739 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 916903107 LFAZTZNBXXKEBS-IBGZPJMESA-N 451.979 5.478 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)c(C)c(C)c2C)cc1 917612093 GINWENXIEXXQCU-UHFFFAOYSA-O 456.635 6.355 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1C 917671079 KIEHPGUQWKGNTM-HXUWFJFHSA-N 493.551 5.319 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c(C)c1 917674213 PJPDYFJOGFDVLI-WPFOTENUSA-N 494.636 5.030 30 20 JKED CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 917805543 SZVRBJNBPIKLFU-LVWGJNHUSA-N 459.637 5.032 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 918546692 CNWSFVYPGIAUHK-SZWCJKGDSA-N 489.041 5.302 30 20 JKED Cc1cc(C)cc([C@@H](OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(F)(F)F)c1 918561974 CCJBWABSOJKSSC-HXUWFJFHSA-N 473.451 5.486 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(C3SCCCS3)cc2)cc1 918628338 AXYLPZAZGSCELS-UHFFFAOYSA-N 462.615 6.409 30 20 JKED C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 919768608 FJSMEPONLZWKFU-GFCCVEGCSA-N 476.348 5.355 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3cc(C)on3)C2=O)cc1Cl 920353119 BDUZMZXLICRGOF-NRFANRHFSA-N 498.992 5.114 30 20 JKED C[C@@H](OC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 920677178 WCAPCHTUDRQSRN-SNVBAGLBSA-N 478.020 5.060 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2)cc1 921011429 VPGPAPCWRCNRIB-NVNXTCNLSA-N 451.526 5.241 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)N(CCC#N)c1ccccc1 921224427 PGSNANQZJKKRNN-AWEZNQCLSA-N 474.369 5.609 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 925311854 MXHROPYVIGJJQE-HNNXBMFYSA-N 461.008 5.214 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(c3ccc(Cl)cc3)CCCCC1)CCO2 1778885260 ILINMVOACNXOEB-SHQCIBLASA-N 485.068 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CCO2)C1 1779240255 HMOPIGPHGNQRRV-PMERELPUSA-N 485.628 5.042 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3Oc3ccccc3)CCC2)cc1 1786361185 UBCRXJCHPVPGDH-NRFANRHFSA-N 468.553 5.265 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)cc3)CCC2)C1 1786710970 FXWKPQWACQAMDV-QFIPXVFZSA-N 469.626 5.170 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)/C=C\c3c[nH]c4ccccc34)cc2)CCC1)C(F)(F)F 1786780657 FUNYZTQCEWBEJV-GHXNOFRVSA-N 453.464 5.434 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccccc4Oc4ccccc4)CCC3)cc2)CC1 1787881978 AYIAOPHQWBFNDP-UHFFFAOYSA-N 451.526 5.530 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)ccc4s3)CCC2)cc1 1787887504 GULZOKYMAIQFFF-UHFFFAOYSA-N 482.403 5.715 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)C#CC3(O)CCCCC3)CCC2)cc1 1788673397 XTZMRHKQTAMADL-UHFFFAOYSA-N 497.595 5.096 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)cc2)CCC1 1788681944 NDKJHGAVFACHTJ-UHFFFAOYSA-N 477.586 5.017 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4n(n3)CCCC4)cc2)CCC1 1789299908 OIDMLZVRIZFYBE-UHFFFAOYSA-N 476.697 5.018 30 20 JKED C[C@H](Nc1cccnc1)C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508731 DXSFTLNMYNDSAI-NRFANRHFSA-N 476.697 5.067 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(O)c4ccn(C)c34)CCC2)cc1 1789626340 KTTJZPXJDNQXSB-UHFFFAOYSA-N 460.578 5.019 30 20 JKED Cc1ncc(Br)cc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)CCC1 1790255262 RFQSISXCHYFLRI-UHFFFAOYSA-N 489.373 5.086 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)CCC3)c2c1 1790295924 NUQIEPCOWBKJNQ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)cc3)CCC2)cc1 1790565953 IWZGPWAUGQJTPZ-IBGZPJMESA-N 488.563 5.436 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5c(F)c(F)ccc5c4)CCC3)cc2)cc1 1790708696 NWZIDIGMXWVSTM-UHFFFAOYSA-N 496.517 5.641 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(OC)c34)CCC2)cc1)C(F)(F)F 1791304824 LKQSJPAQEWRKCT-UHFFFAOYSA-N 457.452 5.043 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4c4ccc(Br)cc4)cc3)CCC2)CCC1 1791477692 AHDGRVPVGRGPFI-FCHUYYIVSA-N 492.417 5.381 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccc(F)cc34)cc2)CCC1 1791486833 ISXOQAVOAAETJA-UHFFFAOYSA-N 477.580 5.357 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1792145441 NEGPXHXTSFNHBP-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Br)ccc4c3)CCC2)cc1 1792267248 MRWHRBAWKYGEMZ-UHFFFAOYSA-N 476.374 5.158 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C)C2 1798340244 QYVSGMSKOTTYSK-LRSLUSHPSA-N 481.637 5.362 30 20 JKED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1Oc1cccc2ccccc12 1799837014 JLMGCMBNJYMAMP-PYHIPCLTSA-N 496.607 5.029 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1802496688 MBEOYFXVTHPXQK-XUZZJYLKSA-N 487.566 5.341 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2)[C@@H]1c1cccnc1 1803086928 PFDJHLKNIGVLCB-LEAFIULHSA-N 480.612 5.232 30 20 JKED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@@H]1c1cccnc1 1803561625 JCRSAAYNJFJMPI-BHBYDHKZSA-N 491.676 5.046 30 20 JKED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1803563211 JAZVILMSURVMFK-RCMJEOAVSA-N 489.660 5.125 30 20 JKED CC#C[C@H](CC(=O)N1CCC2(CCCN(C(=O)/C(C)=C/c3cccs3)C2)CC1)c1ccc(O)cc1 1804813704 NSIXLFKUHXQTGL-UVRKOZNKSA-N 490.669 5.285 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(C(C)(C)C)oc3C)[C@@H]2c2cccnc2)c1 1805685380 YCYDWKHFQVTUPO-NVQXNPDNSA-N 484.600 5.094 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810238763 ATOOUBPNPPHVEO-CZGCIYHXSA-N 477.674 5.694 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1810491187 ALELLAXHTISDPS-MOUZIVPDSA-N 479.587 5.449 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc4c(C)snc4s3)C2)CC1 1810524450 JKCKPZLCFGKSAB-GOSISDBHSA-N 457.665 5.279 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811434602 RSBIWYCOLMUEML-NVVBAYIOSA-N 451.954 5.013 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c(Cl)c1 1811752350 ODNOVZGGBMRQNE-SBUREZEXSA-N 497.357 5.033 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(Cl)c3)[C@H]2c2cccnc2)c1 1811832137 NPMMACYLQNTXJA-FDDCHVKYSA-N 497.357 5.033 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3c(Cl)cccc3Cl)[C@@H]2c2cccnc2)c1 1811940114 UGFSWQOBHZULQG-NTKDMRAZSA-N 493.394 5.202 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302906 KLHHOAPDCCUZMW-BNIKKZEQSA-N 498.583 5.102 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccccc3)CCC2)[C@@H]1c1cccnc1 1812993867 QFDYBAVFALMQKU-ZCYQVOJMSA-N 459.634 5.202 30 20 JKED Cc1c(F)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814610233 OLSIRFAOPRVVKR-QMHKHESXSA-N 459.525 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)n[nH]1 1814897335 GTLITQATBLNFND-LJQANCHMSA-N 489.661 5.088 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(Oc5ccc(Cl)cn5)cc4)sc3C2)C1 1817931838 BKWUCCZGAUPILX-SFHVURJKSA-N 495.004 5.176 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[nH]n1 1819306646 BPKCGSCOOGFKKN-FQOCKNPQSA-N 467.013 5.627 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)[nH]n1 1819307741 MRJJKJVDAOQJBX-YJBOKZPZSA-N 462.381 5.186 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc(-c4ccccc4)s3)n[nH]2)cc1 1819931888 OYPRRFSCKPPSPJ-OAQYLSRUSA-N 482.569 5.025 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237863 REKOWEQHPVHXGS-QHCPKHFHSA-N 478.593 5.441 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1821920464 IHSXFUGDVSQVHH-YWZLYKJASA-N 451.958 5.129 30 20 JKED CC1(C)CCC(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(CC#N)cc2)CC3)CC1 1823098164 IPBRBZDFFCESFY-FQEVSTJZSA-N 464.635 5.041 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OCC4CC4)cc3)n[nH]2)cc1 1823268907 SZFZOTUKSAEALU-SANMLTNESA-N 497.599 5.009 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(Cl)c3Br)n[nH]2)C1 1823311687 LYDMAHWJIJOOPU-QGZVFWFLSA-N 477.790 5.098 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1823713757 FDGFISRZTKHSEA-IZEXYCQBSA-N 488.672 5.515 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1823812611 MLSSWBSGRMACGA-ZONZVBGPSA-N 490.047 5.178 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 1823978290 ZNNVWHBNRZAIRT-DFBJGRDBSA-N 464.009 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc(Cl)c2)CC1 1823983657 HBNZUIPVBSUAJK-HSZRJFAPSA-N 461.046 5.331 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824051464 SORZCTPHFGCCNU-FMPYCDKLSA-N 475.658 5.276 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1827356247 SDVUQXUFNYKEIA-HSZRJFAPSA-N 498.549 5.304 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)CC1)C(F)(F)F 1827414845 PPUIDODIHGRPBS-MRXNPFEDSA-N 471.570 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828828650 OLACQRJNUYNJJF-ATIYNZHBSA-N 463.622 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1828828729 ROFVPUGNVQAHBP-CTNGQTDRSA-N 466.544 5.609 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 1829069322 WAYYNOYGCRNEDW-OAQYLSRUSA-N 465.560 5.326 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573948 PBJGVGSMCWFNKN-HYBUGGRVSA-N 473.617 5.873 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CC2)CCC1 1829588754 DADVXWRHHMUACI-AREMUKBSSA-N 495.627 5.157 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1830422838 BTZLEQJOVLREHX-RUZDIDTESA-N 467.629 5.537 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830441469 VWAVZXDREBSYQR-AREMUKBSSA-N 468.613 5.041 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1830782673 BCRFCNYEJIRPRR-HSZRJFAPSA-N 493.475 5.817 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831376715 RBDPTKINYQRBFC-UTKZUKDTSA-N 469.607 5.255 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(O)cc1 1831925251 ANARQNWONIAAPA-AJTFRIOCSA-N 494.582 5.101 30 20 JKED C[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832037464 PQUFDTFWHMPYTM-IWHLBADBSA-N 471.645 5.426 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)CC1 1832551758 CXGLGISDVZEALF-URXFXBBRSA-N 459.030 5.350 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832632763 VEIQMFLJYPPXNB-MZLICYQSSA-N 495.714 5.789 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c1 1832632920 YQIDAELSQKMXNW-YADARESESA-N 486.641 5.470 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1 1832635705 PEPAHDPRSDGYGF-RBTNQOKQSA-N 469.629 5.738 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c(F)c1 1832704841 WLDPLWLJBDONRG-SANMLTNESA-N 491.607 5.340 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832715326 VAQVKNJCTHYBKU-QFIPXVFZSA-N 467.412 5.559 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CC3CCC(C)(C)CC3)CC2)CC1 1838423944 VDOPAMFQUPAZRG-UHFFFAOYSA-N 460.703 5.584 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(Cl)cn3)cc1)C2 1844356386 VFNDMHAVNLUKPM-UHFFFAOYSA-N 467.997 5.337 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)C2)c(Cl)c1 1844675794 GPCBCJFTLIUGDB-UHFFFAOYSA-N 494.982 5.262 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2oc3ccccc3c2COC(C)C)n(C2CCCC2)c1C 12262559 HOBSDGDUXUEBKF-UHFFFAOYSA-N 477.561 5.558 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2cccc(CO)c2)c(Cl)c1 15248313 VMMMCNSZMHWSNV-UHFFFAOYSA-O 460.406 5.441 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1 15352987 LUNVFHLZKADZDL-UHFFFAOYSA-O 452.386 6.485 30 20 JKED Cc1ccc(NC(=O)[C@H](OC(=O)c2c(C)oc(-n3cccc3)c2C#N)c2ccccc2)c([N+](=O)[O-])c1 17187137 SFCRGPXHCKLNMV-HSZRJFAPSA-N 484.468 5.004 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccccc1 17672329 DYJRAGOUWPAYJX-QHCPKHFHSA-N 460.628 5.499 30 20 JKED N#Cc1ccsc1NC(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 17942513 TXKASTVFJCUHHY-UHFFFAOYSA-N 487.429 5.785 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)C(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 18436856 KTJQIEXYVHXEAV-CQSZACIVSA-N 491.400 5.100 30 20 JKED C[C@@H](OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18524754 GPEZGFHIBWAGGV-OAHLLOKOSA-N 493.610 5.386 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(O)c2)c1 22732580 ZIQLBZNWQHPSQS-UHFFFAOYSA-O 456.385 5.110 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccc(C(CC)CC)cc1 22797323 OOUQODCECXSHRF-UHFFFAOYSA-O 460.461 5.745 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)nc1C 22890611 HBLOAKNMUVWGOJ-UHFFFAOYSA-N 489.051 5.522 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)nnc1-c1ccc(Cl)cc1 23474848 CVSYAEOWPQFYAK-UHFFFAOYSA-N 496.036 5.188 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 25727134 CEGXIFCEFDNKQZ-UHFFFAOYSA-N 459.571 5.042 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(NC(C)=O)ccc23)nnc1-c1ccc(Cl)cc1 49582646 XZKXOLNEKDCFJK-UHFFFAOYSA-N 466.950 5.142 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 302974045 IMZPZCKLUAXKMF-UHFFFAOYSA-N 489.575 6.303 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3nc(-c4ccsc4)no3)s2)c(C(F)(F)F)c1 487452891 ZMXGGWDUCXRRJH-UHFFFAOYSA-N 489.504 5.307 30 20 JKED Cc1ccc([C@@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)N2CCCC2)cc1 490685591 RQXKACZFYJMELB-AREMUKBSSA-N 467.573 5.078 30 20 JKED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1nc(-c2ccccc2)cs1 502690295 AQAVVYCQEMQPJO-QHCPKHFHSA-N 499.617 5.442 30 20 JKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 503246621 PQNPYRLHZLBPKW-UHFFFAOYSA-N 487.991 5.232 30 20 JKED C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 504003620 FTNRJKJKROSZNL-SFHVURJKSA-N 482.565 6.103 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(-c2ccccc2)cs1 504037787 QOSHJBSDTQSPRF-IBGZPJMESA-N 468.582 6.338 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 506508767 BOLBNKTWSLRUKQ-UHFFFAOYSA-N 494.393 5.104 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1 508241015 HYJPJGKNOOKXPG-UHFFFAOYSA-N 457.530 5.229 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1Cl 509592602 OZDYZJAMHJSHCN-GMAHTHKFSA-N 458.974 6.363 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC 510889003 YXTGGZFPSIUVRQ-XMMPIXPASA-N 457.530 6.045 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 511473559 GYGURHFCQWBDDO-HSZRJFAPSA-N 470.529 5.197 30 20 JKED C=CCOc1ccccc1CN(C(=O)CCc1nc(-c2ccsc2)no1)c1ccc2c(c1)OCO2 512274641 AZNVMLRSQGKQHR-UHFFFAOYSA-N 489.553 5.258 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)c1C(F)(F)F 513677033 PFGMCWQKTUGBBM-OAHLLOKOSA-N 484.459 5.168 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)s2)cc1 514031789 XRDXAPUJXIKWKT-UHFFFAOYSA-N 493.514 5.940 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cs1 514431086 JLRQDMUSNJIWND-AWEZNQCLSA-N 482.631 5.562 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc12 515540523 YBQYGXMXUUCMGZ-INIZCTEOSA-N 481.915 6.284 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ncc(Cc5ccc(C#N)cc5)s4)CC3)c2c1 516233057 PYPLYUDBXKIIKN-UHFFFAOYSA-N 471.586 5.507 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cs2)cc1 516503044 IEADCTGZCGZZHT-UHFFFAOYSA-N 461.465 5.203 30 20 JKED COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1 517447808 QQNRDIKZPDXBDJ-CQSZACIVSA-N 471.633 5.273 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 517532430 IMITZRYVEXPIFQ-AWEZNQCLSA-N 464.418 5.420 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2Oc2cccc(Br)c2)n1 517915385 DXBIAOAFKMWJQA-MRXNPFEDSA-N 471.332 5.365 30 20 JKED CCC(CC)[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccs1 518191351 IQTOQALXFQZAGO-XMMPIXPASA-N 461.587 5.431 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(SC)n3-c3ccc(F)cc3)n2)cc1 518516803 ZUMNABCDWVOJQE-GOSISDBHSA-N 464.547 5.355 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 518652729 ABEQMSQXXVEAKB-ZDUSSCGKSA-N 488.436 5.359 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 518739162 QUXKOGUXYUAICS-LJQANCHMSA-N 479.627 5.548 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1Cl 520833917 ODKPEZKMGKDREG-AWEZNQCLSA-N 455.432 5.996 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 521259291 LJMBRCONCUTAKZ-QRQCRPRQSA-N 469.010 5.572 30 20 JKED COc1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc2ccccc12 521497105 YGXWUBAHHNCWFS-UHFFFAOYSA-N 468.460 5.433 30 20 JKED CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 521740295 WEDBXDDWJFLAGC-GOSISDBHSA-N 463.603 5.624 30 20 JKED C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1I)c1ccc(C#N)cc1 522216638 LSSSDHVUIIFLNU-IVZQSRNASA-N 499.327 5.452 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(CCC#N)Cc1cccnc1 523324613 SOFDIVGFGAZOOV-KRWDZBQOSA-N 489.626 5.023 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccc(F)cc4F)CC3)cc2Cl)cc1 524026790 KFTWJVKSUWDBEK-UHFFFAOYSA-N 496.901 5.272 30 20 JKED N#CCc1ccc(OC[C@H](O)CNC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 567457327 HZCJTZOKPGGBEE-HYBUGGRVSA-N 459.977 5.049 30 20 JKED COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 579986742 DICJXIKWAPZAIO-CQSZACIVSA-N 465.497 5.245 30 20 JKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1ccc(OC)cc1 588011323 PJFNMRVIWFWNJZ-UHFFFAOYSA-N 474.373 5.789 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccco3)n2C2CCCCC2)sc2c1CCC2 589934173 FZBDFDVZYPTEFG-UHFFFAOYSA-N 467.620 5.586 30 20 JKED C=CCN(C(=O)c1cnc(SC)n1-c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459323 OBIYRVIWASTBJL-UHFFFAOYSA-N 495.561 5.598 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 603756374 UDXBKDZUKVQRBW-UHFFFAOYSA-N 485.544 5.933 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(Br)cc3Cl)c2)cc1 603924040 XCNLZEWRSANRBH-UHFFFAOYSA-N 455.739 6.000 30 20 JKED N#CCSc1ccccc1NC(=O)CNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 604008836 OFCKSUHEIXBBHY-UHFFFAOYSA-N 456.398 5.927 30 20 JKED CCN(CC)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604134721 YFFPMLLNQSDVJP-UHFFFAOYSA-N 490.991 5.101 30 20 JKED CC(C)(CCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1 604387348 XCNRLDNJQJBDQC-UHFFFAOYSA-N 457.599 5.387 30 20 JKED C=CCOc1c(Br)cc(/C=C/c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1OCC 608801193 NTVRIELGTLEDON-RMKNXTFCSA-N 485.334 5.018 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 609060829 OEKDAFICEXQIBH-UHFFFAOYSA-N 483.549 5.479 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208757 JMPKUVANVBDCDL-UHFFFAOYSA-N 469.328 5.760 30 20 JKED C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)NC3CCN(CC#N)CC3)c2C1 609329359 IQJAIJWMXXWQJM-XXBRTLJISA-N 450.586 5.075 30 20 JKED N#C[C@@H](C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346094 CKYIVFNAOZRGMD-MJGOQNOKSA-N 473.381 6.165 30 20 JKED N#Cc1ccc(-n2c(SCc3nc(O)c4c5c(sc4n3)CCCC5)nc3ccccc3c2=O)cc1 619561891 JGSHZIDJJXOVSZ-UHFFFAOYSA-N 497.605 5.139 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2cc(C(F)(F)F)ccc2s1 642282054 HKGARUQJSMDDAC-HNNXBMFYSA-N 471.485 6.119 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1 676375495 BIVLOVBNKCEGGI-JOCHJYFZSA-N 483.037 5.639 30 20 JKED C[C@H](Sc1ncccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)N1CCCC1 726142062 LQRCFCPCPGLISG-CYFREDJKSA-N 470.598 5.092 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC[C@H](C)OC)cc1 726392131 FECNRVSCKLFTAI-MHECFPHRSA-N 491.613 5.234 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2cccnc2)c1 726409830 DQZLUNDTUNLEAA-UZUQRXQVSA-N 489.000 5.438 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1NC(C)=O 726428787 PQBFVOXULXVUJW-JXMROGBWSA-N 466.877 5.904 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 726755033 ZHXNRWAEEJWMHW-UHFFFAOYSA-N 473.536 5.297 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)Cc2cccs2)cn1 726888431 MNRNRPGHEWPZOE-UWJYYQICSA-N 494.642 5.052 30 20 JKED Cc1oc(-c2ccsc2)nc1CC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 727023197 JNENYGFWEKWDGP-UHFFFAOYSA-N 480.590 5.231 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2Br)cc1 727354720 JMYGPSSXKXCNFF-IBUXMESJSA-N 453.361 5.517 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc1 727936002 FJOFYSNQNFVPNE-UHFFFAOYSA-N 474.948 5.043 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776117 IUFIPWOKLZBALV-NRFANRHFSA-N 493.589 5.174 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CCCCC#N)C2=O)c1 728780383 SAGYDTIQBLLNHT-QFIPXVFZSA-N 494.020 5.483 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CCC#N)CC2CC2)ccc1Cl 728870315 CNIXHJANMLIMLY-UHFFFAOYSA-N 492.428 5.141 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(Cc2scnc2C)C1=O 729143422 RAFZRNIQKCSWKC-OAQYLSRUSA-N 494.642 5.237 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc4c(=O)n(Cc5ccco5)c(S)nc4c3)c2)cc1 729375459 GSVBKRSUPANESP-UHFFFAOYSA-N 494.532 5.243 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(C#N)cc3F)C2=O)cc1 729818688 CXSSPUODHRXEDY-QHCPKHFHSA-N 472.545 5.166 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c1 730442926 AGCMRVZKDCUBSW-HSZRJFAPSA-N 494.592 5.250 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Br)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730460615 CMOXIIYRSPODMS-SFHVURJKSA-N 476.371 5.101 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2ccccc2)C1=O 730538285 XPUUHSHTRKJFEH-QHCPKHFHSA-N 477.561 5.303 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(C)c(F)c2)s1 730718836 QRAQXCSYPFGGNS-HNAYVOBHSA-N 483.594 5.016 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 731059478 BBCHTGUMFCKUFI-QGZVFWFLSA-N 471.538 5.685 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c3ccccc3n(C)c2s1 731065083 ZJLBEEJILXOPTQ-OAHLLOKOSA-N 463.584 5.440 30 20 JKED Cc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c3c2CCCC3)cc1 731086313 UAAVJWFRWVAYQM-IBGZPJMESA-N 488.613 5.107 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 731129649 ZIJQRRODOAXJOJ-BEFAXECRSA-N 461.509 5.259 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c3c2CCCC3)cc1 731136695 VNDBGNAAPHESSL-FQEVSTJZSA-N 467.356 5.328 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c1 743524459 JYQKEGUUJVIHCR-KXBFYZLASA-N 497.514 5.062 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cscn3)C2=O)c1 747601082 DMBPKTWZOZHVBE-NRFANRHFSA-N 482.606 5.368 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cscn1 747603289 RMVPNEJQPQTBHY-IBGZPJMESA-N 468.579 5.060 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)c2C#N)C1 751056823 GCZHQQLZQXERGK-LLVKDONJSA-N 462.369 5.694 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2Cn2cccn2)C1=O)Nc1ccccc1 797611498 RYUVQBXFQDSNKE-VWLOTQADSA-N 495.608 5.092 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)cc1F 799222726 GTQFMPACGXWHHJ-INIZCTEOSA-N 473.879 5.310 30 20 JKED Fc1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c(Br)c1 812461937 KTFPIOGQEVPGJC-UHFFFAOYSA-N 450.315 5.341 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2C)C1=O 837739114 ALHMMGRRVCKEGL-QHCPKHFHSA-N 477.561 5.303 30 20 JKED C#Cc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2Cl)c1 844144597 LZBQNPHGGARCIN-UHFFFAOYSA-N 489.778 5.137 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)Cc1cccs1 914690084 JDNQVWROODCTHF-VGOFRKELSA-N 479.627 5.348 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)n1 914963230 BCOUACQOYXDWSG-NSHDSACASA-N 458.870 5.372 30 20 JKED Cc1ccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1NC(=O)c1ccccc1 915020368 ZZMNAJNZMSTVCJ-UHFFFAOYSA-N 498.583 5.448 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 915087007 ZDGBYXCAYALHCZ-TZIWHRDSSA-N 474.358 5.096 30 20 JKED N#C[C@@H](C(=O)c1cnc(S)n1-c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915104841 VGAJRGVXXHNQFY-ZDUSSCGKSA-N 462.453 5.419 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)cc1 915297500 BODDUHSASBLARO-UHFFFAOYSA-N 455.539 5.146 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(OC(F)F)c2)ccc1OCC(=O)Nc1ccccc1Cl 916128816 DOYCUTPDZNYUSP-LUAWRHEFSA-N 487.886 5.864 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1C 916205813 RKDLTUGBUGKCRP-IBGZPJMESA-N 463.525 5.693 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2ccccn2)cc1 916211971 INWUVKQIDVIKBZ-FQEVSTJZSA-N 499.423 5.857 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC)cc1 916213792 HPSLTRINUMUJNG-NRFANRHFSA-N 490.025 5.044 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2ccccn2)C1=O)Nc1ccccc1 916214097 KGVROJMDMBBEGK-FQEVSTJZSA-N 485.396 5.549 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CC(C)C)C1=O 916214189 KJCFTMSDOYAUJN-IBGZPJMESA-N 493.601 5.626 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1c(C)cccc1C 916217257 JBZFGMFBVVAJEW-QGZVFWFLSA-N 480.417 5.217 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1F 916217508 OLMBGPXMCCVHBK-LIRRHRJNSA-N 496.391 5.272 30 20 JKED CC(=O)N(c1nc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cs1)c1ccc(F)cc1F 916344909 PSNLIOAAARCCAR-UHFFFAOYSA-N 490.948 5.189 30 20 JKED C[C@H](Sc1nc2c(c(-c3ccco3)c1C#N)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 916539516 CERFPDAWWCAAMR-LBPRGKRZSA-N 468.922 5.383 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@H](C#N)c1nc3ccccc3[nH]1)c(C)n2C(=O)c1ccc(Cl)cc1 916627313 MNNKBJUPMYUEFD-QFIPXVFZSA-N 496.954 5.596 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 916679600 TYWDRXAEFNEILD-NDEPHWFRSA-N 467.617 5.066 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846863 GVBPCONYCVDVFI-LJQANCHMSA-N 492.004 5.151 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)cc1 916910836 CIWISKMLPPSILC-RUZDIDTESA-N 465.553 5.686 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 916916308 WWMCOXNSMYYBAC-DEOSSOPVSA-N 457.505 5.382 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 916928164 VJKUDCPGDHIULQ-HNNXBMFYSA-N 460.342 5.395 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc(Br)c1OC(F)F 917146195 UOIVQOGNVKTWFV-WTKPLQERSA-N 483.309 5.485 30 20 JKED FC(F)(F)c1nc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c2ccccc2n1 917215595 VUDDYQSHAIBDTL-UHFFFAOYSA-N 473.462 5.401 30 20 JKED C=CCOc1ccccc1CN(C(=O)Cc1nnc(O)c2ccccc12)c1ccc(C)c(C)c1 917366863 UGPZDTRODMPJMC-UHFFFAOYSA-N 453.542 5.293 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cccc(C)n3)C2=O)cc1 917665341 WIULGDDXLKIVFM-QHCPKHFHSA-N 458.587 5.167 30 20 JKED CC(C)CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1C#N 917703912 DKTYWJUXJAZSMG-FQEVSTJZSA-N 499.980 5.126 30 20 JKED COc1ccccc1OCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 919342776 BASRPYZHXVHDEO-INIZCTEOSA-N 494.569 5.253 30 20 JKED C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 919799956 MJYPINBHZPPUSF-KOSHJBKYSA-N 490.401 5.181 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 919825916 ZQPIYOWSCMWNSI-XNTDXEJSSA-N 451.526 5.241 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 920108951 LIWAUHJLSJQEEJ-WBMJQRKESA-N 452.860 5.517 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 920139233 PCIBUBUPJICADL-IBGZPJMESA-N 478.961 5.721 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)c1nc(-c3ccc(OC)cc3)cs1)O[C@@H](C)C2 920144053 XAYCAOYYYLPIDY-MBLDRHBPSA-N 460.555 5.430 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)nc(O)c2c1C 920269754 YLYMTMNMDUDHEX-HIFRSBDPSA-N 481.628 5.030 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1c(C)noc1C 920351932 FPCBCUFZTIVEFC-NRFANRHFSA-N 462.575 5.069 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cc(C)on2)c1 920357656 ZFTIQTOVENFMBV-OAQYLSRUSA-N 484.528 5.039 30 20 JKED CC(C)(C)OC(=O)NC(C)(C)c1noc(COC(=O)c2ccccc2Sc2ccccc2C#N)n1 920496200 UWWNOYLBXWDAAU-UHFFFAOYSA-N 494.573 5.209 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCSCc1ccccc1C#N 921198436 PAYSPOFDHVXQQK-UHFFFAOYSA-N 459.402 5.082 30 20 JKED C[C@H](OC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)N(CCC#N)c1ccc(F)cc1 921388847 SXSZEBZHDODCEZ-DBZAVIBRSA-N 466.509 5.445 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 926955668 NZJPIKCVKFUYNQ-HXUWFJFHSA-N 495.535 5.509 30 20 JKED CCC1(CC)CN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)c2ccc(Br)cc21 1515683582 XMRBIXQUAKGJMQ-UHFFFAOYSA-N 456.384 5.075 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)COC4CCCCC4)cc3)CCC2)cc1C#N 1786019008 LWPAPYHHAFVJBY-UHFFFAOYSA-N 489.616 5.442 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C=C[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1786710648 ZNMZIXMQKAUEBW-QDSKXPNFSA-N 493.648 5.358 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)CCC2)cc1 1787885155 XHCOUJYTYPSQPX-UHFFFAOYSA-N 481.478 5.147 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)CN4)cc2)CCC1 1787948748 UHYSBUYTPOQSRM-FQRUVTKNSA-N 487.644 5.582 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nc(C)oc3C(F)(F)F)cc2)CCC1 1788617142 XWVBRTKMJJCRFH-GOSISDBHSA-N 461.484 5.518 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788803477 ABXPOICPXDSOPV-HXUWFJFHSA-N 470.573 5.297 30 20 JKED O=C(C#CC1CC1)NC1(c2ccc(NC(=O)c3ccc4c(-c5nccs5)noc4c3)cc2)CCC1 1789225342 MVOCBEJBMSJOON-UHFFFAOYSA-N 482.565 5.112 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ccccc4c(Cl)c3OC)[C@H]2C1 1789284434 AQMKSDSGKXTNEM-VJBMBRPKSA-N 499.051 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cncn5c4)cc3)CCC2)c1 1789367639 NIXKKBKWLYFGNZ-LJQANCHMSA-N 463.541 5.023 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C4\C(=O)Nc5ccccc54)cc3)CCC2)c1 1789461927 JQHQSHAAQVPPRW-CXTZRUPXSA-N 490.563 5.097 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCNC(=O)OC(C)(C)C)CCC2)cc1 1789625496 GVTQRWVWXYNVNV-UHFFFAOYSA-N 457.615 5.028 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(C(F)(F)F)cn4)CCC3)cc2)c1 1792123675 OQVUEJSOUKBPQQ-INIZCTEOSA-N 493.489 5.184 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)CCC1 1792173375 WVQJNWDRSLOSGM-AMVVHIIESA-N 487.453 5.304 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1)c1ccc(Cl)cc1 1796898038 YTRZDMLVPOQPJD-BOVJLVLLSA-N 485.049 5.218 30 20 JKED CC(C)n1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#Cc2ccc(Cl)cc2)C3)c(C(F)(F)F)c1 1797020119 JVJLTRQPOWPBPA-ACDBMABISA-N 491.941 5.045 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc(C(F)(F)F)c1 1797875302 PYAWOKRSJLTJPD-FXPVUZBFSA-N 487.566 5.435 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1Cl 1800415933 SSOQIWDQNDHJOM-YEXBIGLPSA-N 496.938 5.111 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)[C@@H]1c1cccnc1 1802492391 MYSHPJHQLHGDIK-JYFHCDHNSA-N 465.613 5.160 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1802626549 XVFBZWLRXCBGOJ-OOSCYNTBSA-N 465.597 5.347 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCc1ccc(F)c(Br)c1)C2 1802631324 SFQIASYVIOWODS-WKCHPHFGSA-N 491.445 5.133 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1803081728 FUUPEAKERQZKAV-GGXMVOPNSA-N 494.639 5.540 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)C1 1806066266 UYCQCWCTQFXTQG-HXUWFJFHSA-N 483.505 5.211 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc3ccccc3c2)[C@H]1c1cccnc1 1806413298 JBGNGDGPCITCPE-XTEPFMGCSA-N 469.629 5.476 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Cc4cccc(F)c4)cc3)CC2)C1 1806679947 FRPBTFFZZKWYMZ-UHFFFAOYSA-N 480.649 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ncc(OC(F)F)cc3Cl)C2)CC1 1807639368 WPTNVWPUZWXXPQ-UHFFFAOYSA-N 483.987 5.174 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1809188606 GAHABVHDGNXBQT-DVECYGJZSA-N 479.024 5.528 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810112293 TVAHRAJGRNPFHE-BWKHYTDRSA-N 469.676 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@H]1c1cccnc1 1812113380 BTHFEZBOFQTARF-CJFMBICVSA-N 491.035 5.595 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1 1812229950 BOUMMQLMUWIOQY-OZXSUGGESA-N 487.676 5.199 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1812668848 XTKDDIFTNISBSP-XXBNENTESA-N 499.945 5.526 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)CC1 1812789520 LCNVBTBSSZHEAL-RXDRQECZSA-N 472.633 5.074 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@H]1c1cccnc1 1812954422 HMLCJUGTGNTMSF-DMGXODIQSA-N 485.550 5.211 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1813866494 SSIQTCITNQQHFT-VLPFNMLHSA-N 482.584 5.033 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813977612 MWUKYQARDMBUHD-UZUQRXQVSA-N 492.834 5.555 30 20 JKED CCSc1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1814355103 UPFOZBTWKKSPBJ-OAQYLSRUSA-N 497.741 5.274 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(F)(F)CC2)n[nH]1 1815020081 JGGKOWCKHLSPCX-FQEVSTJZSA-N 478.660 5.278 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C34CC(C(F)(F)F)(C3)C4)n[nH]2)c1 1815346082 LVRWDIKGTVBNLJ-DSIXUQOLSA-N 485.510 5.075 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ncccc4c3)n[nH]2)c(Cl)c1 1815478648 MHCPITNTNZBOGJ-DEOSSOPVSA-N 498.974 5.032 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(Cl)cc3)n[nH]2)c(Cl)c1 1816933052 LJPLYYWGIGFIJW-NRFANRHFSA-N 482.371 5.137 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(CC)nc3ccc(Cl)cn23)n[nH]1 1817959495 NGQBQRPGJHYNNJ-WIYYLYMNSA-N 495.027 5.348 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)Sc2ccccc2)[nH]n1 1819302430 DVSQIIZPEMPHBV-DWLFOUALSA-N 452.624 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1819304560 FHRRGLURLUKYCY-ATIYNZHBSA-N 483.616 5.854 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1819307649 KDUUZPYFKVICHI-UTKZUKDTSA-N 466.969 5.884 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)n[nH]1 1820108846 FZCRZTWXMLHESB-DEOSSOPVSA-N 480.572 5.062 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)[nH]n2)c1 1820485621 SPQHGHRCSQMTDP-JOCHJYFZSA-N 472.936 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(N(C)C)c(F)c2)n[nH]1 1821348800 NJDMSIPBBQDWHJ-HXUWFJFHSA-N 473.568 5.052 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(Br)ccc2Cl)n[nH]1 1821871125 MSJOTQKQOZCLTG-IFXJQAMLSA-N 493.833 5.273 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1821920460 IHSXFUGDVSQVHH-QRWLVFNGSA-N 451.958 5.129 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(Br)ccc2Cl)[nH]n1 1821926399 OUWDNAYERMMGNF-LIRRHRJNSA-N 493.833 5.273 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)[nH]n1 1821983779 KHOWBZOIMIPBHO-HXUWFJFHSA-N 456.537 5.125 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)[nH]n1)c1ccc(O)cc1 1822467443 WQRGODKOLAHLTH-LVXARBLLSA-N 495.583 5.100 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(C(F)(F)F)cc4Cl)sc3C2)C1 1823304492 BJTNGPVUIFPYIG-CYBMUJFWSA-N 469.916 5.007 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 1823684442 XJVPCJSJWXIYSN-HZFUHODCSA-N 487.619 5.053 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)cc1 1823684615 AOBGSKIEOSMQQH-NDEPHWFRSA-N 469.629 5.302 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(Br)c2)CC1 1823753874 LYKMVYWGAWHJQG-HXUWFJFHSA-N 476.459 5.070 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1824140001 UZFLMZCSRXURCB-XMMPIXPASA-N 491.598 5.421 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1F 1824454238 DHLLHPHDTDCOAI-IYNHSRRRSA-N 496.648 5.187 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSC3CCCC3)CC2)c1 1824480562 XTAOYNQBVVZRTO-NLFFAJNJSA-N 467.679 5.223 30 20 JKED Cc1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1824678421 XIQPKVFSPYPVAE-OAQYLSRUSA-N 489.563 5.494 30 20 JKED O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC([C@H]2CCCCN2C(=O)C(F)(F)C(F)F)CC1 1824841630 OWWVRSZFCOOITK-LKGOPFMKSA-N 494.451 5.239 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1824958525 ZSDXJAGNWZQVSX-QHCPKHFHSA-N 493.698 5.602 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1826321316 QKNQGOKCIKTSDK-AREMUKBSSA-N 481.596 5.779 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683831 LIFJMXOOYJQJOF-VDZCTEQFSA-N 493.673 5.113 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)ccc2s1 1828253247 BJXYTZKQLWJACJ-DEOSSOPVSA-N 472.614 5.024 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)CC2)c(Cl)c1 1828711174 KGLPQWWNJYLBJD-QFIPXVFZSA-N 481.021 5.302 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2Cl)CC1)c1ccccc1 1829217173 XDMZJBSHHCGJKA-OZXSUGGESA-N 478.036 5.166 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829568664 ASNFTCJBFOGXFI-RDGATRHJSA-N 494.661 5.011 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1Cl 1829688634 DVHOEMXBPNZLIV-IBGZPJMESA-N 481.946 5.178 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829692902 PJCMHJZEOPJYBA-AVRDEDQJSA-N 497.064 5.021 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1 1829957447 PDFYCXLVZCZLCV-HSZRJFAPSA-N 487.497 5.263 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4c3CCCC4)CC2)cc1 1830633649 UTBFHGXMFFVOLY-NDEPHWFRSA-N 469.629 5.179 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c(Cl)c1 1830725040 XPCHTXXKUIRJJX-RSPLEMODSA-N 468.041 5.271 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)CC2)C1 1831015657 DAOGRDHGRUWTOJ-DEOSSOPVSA-N 451.998 5.088 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1831852067 NOVINRRTGYLFJE-DEOSSOPVSA-N 495.461 5.639 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 1831947569 NDOMUMOEHQOKJZ-JOCHJYFZSA-N 473.455 5.067 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1 1832629211 LRALJOAJXQRDOQ-IQGLISFBSA-N 481.999 5.653 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cnc3Cl)CC2)c1 1832632482 RRDIDJJUKDMMSE-UZUQRXQVSA-N 482.987 5.048 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1832663241 FDYGYRLAFVXHLE-XMMPIXPASA-N 494.035 5.086 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(F)c3)CC2)cc1C#N 1832703777 TYGFROGAGZGEJY-VWLOTQADSA-N 477.580 5.032 30 20 JKED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)C1)c1ccccc1 1845671665 VLDHDPNTEQKTPD-DEOSSOPVSA-N 491.591 5.442 30 20 JKED C=CCSCC(=O)N1CC2(CCCN2C(=O)[C@@H](c2ccc(OCc3ccccc3)cc2)C(C)C)C1 1846247339 VMTTXXCYYZOVRV-HHHXNRCGSA-N 492.685 5.128 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Br)c2)cc1 11084985 NGKFJHYYKHYAMH-UHFFFAOYSA-O 491.381 5.132 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1cccc(Cl)c1 12814034 ARQBCHXAUSQJAL-UHFFFAOYSA-N 483.041 5.754 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c2)cc1 14497805 BIYKMBFGRFCQLG-UHFFFAOYSA-N 488.594 5.068 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccc(N(C)C)cc1 14871767 RSZQOJABPPSZAY-UHFFFAOYSA-O 483.455 5.416 30 20 JKED CCOc1ccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2ccc(OC)cc2)cc1 21991947 HROSHHSXWJHALK-UHFFFAOYSA-N 491.598 5.006 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Br)cc1 22101033 IUIDKMFTHSTDJX-QGZVFWFLSA-N 496.434 5.321 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CSc2nc3c(c(C)c2C#N)CCC3)cs1 22122746 SOLARZWUVVJMIO-UHFFFAOYSA-N 488.560 6.203 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(OC)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 22731232 VPBOLNYVCMTDJJ-UHFFFAOYSA-O 494.637 5.063 30 20 JKED Cc1nc(C)c(C#N)c(SCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1 71834743 NIGDIJJZYYJKFZ-UHFFFAOYSA-N 450.376 5.126 30 20 JKED CNC(=O)c1ccc(/C=C2/CC(c3ccccc3)C/C(=C\c3ccc(C(=O)NC)cc3)C2=O)cc1 71850455 BDSLVIWINDNBAV-WVZLMVLXSA-N 464.565 5.020 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(=O)oc2cc3c(cc12)CCC3 195570075 OKKCZUJRXXYTCZ-UHFFFAOYSA-N 479.989 5.584 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccncc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 216150731 ZAYJGAHHFWNIQX-SOFGYWHQSA-N 470.447 5.413 30 20 JKED C[C@H]1[C@H](C)CCC[C@H]1n1c(SCC(=O)Nc2sccc2C#N)nc2ccccc2c1=O 248148041 IJKOKEMPPXDWRT-ZRGWGRIASA-N 452.605 5.058 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 255930444 ITVBNEVDYSCXLT-DLBZAZTESA-N 469.010 5.155 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2nnn(-c3cccc(Cl)c3)c2C)cs1)c1ccc(F)cc1F 303019658 OKAXEUUOWFPNFF-VQHVLOKHSA-N 499.930 5.545 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 303228319 WYALWVYHGNGXAZ-UHFFFAOYSA-N 452.557 5.113 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 485741598 CVOQPMIUKSKBIJ-MRXNPFEDSA-N 467.447 5.527 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2cccs2)cc1 493722445 HDNWBHGRUUSGDM-UQBPGWFLSA-N 480.655 5.858 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 497884049 POPUZHARJFHXJU-QGZVFWFLSA-N 457.496 5.204 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)c1nc(-c2ccccc2)cs1 499720965 ULUGHXNLNFHKJE-UHFFFAOYSA-N 496.061 6.053 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSCc1coc(-c2ccccc2)n1 500757978 YSOCMHMXSYVPCY-UHFFFAOYSA-N 455.539 6.186 30 20 JKED CN(Cc1ccc(F)c(F)c1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503148481 AVRUDHAYCBSGOZ-UHFFFAOYSA-N 498.761 5.509 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)c1ccc(SCC)cc1 504702345 GEVFQRMARJFWJH-CQSZACIVSA-N 463.397 5.088 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)c1 509209184 GPOACKKJTHSANG-JOCHJYFZSA-N 484.600 5.251 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)ccc1OCCOc1ccccc1 513686540 AYPGALKWFJVACE-FQEVSTJZSA-N 458.539 5.643 30 20 JKED N#Cc1ccnc(SCc2nc(O)c3c(-c4ccc(Br)cc4)csc3n2)c1 514562321 DVLVCUPHLMMXSD-UHFFFAOYSA-N 455.362 5.385 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(C#N)cc4)o3)c3ccccc3n2)cc1 514745244 FCLNJRXGMKBJDK-UHFFFAOYSA-N 477.549 5.863 30 20 JKED C[C@@H](c1ccccc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccccc1 515487640 OUFFBCYEVIAUCU-KRWDZBQOSA-N 473.989 5.810 30 20 JKED COc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 516034079 OBFALPRSWKBBHF-ILBGXUMGSA-N 473.960 5.306 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2OC)c1 516207652 NLWVABXMZGSFLU-UHFFFAOYSA-N 491.396 5.636 30 20 JKED CC(C)COc1ccccc1CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 517335521 CHWANWIPSKRTBS-QHCPKHFHSA-N 475.976 5.285 30 20 JKED CSc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)cc1 517462005 YBEOVWRJQYUIDF-CQSZACIVSA-N 479.549 5.425 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1ccncc1 517532902 QZMWNFNWVGQLHS-MOPGFXCFSA-N 476.602 5.946 30 20 JKED CC(C)(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)S(=O)(=O)c1ccc(Br)cc1 518731703 GHXOXGMXICNMDR-UHFFFAOYSA-N 499.386 5.304 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)c(C)c1[N+](=O)[O-] 519124400 BHLWGXLMYXFZFS-UHFFFAOYSA-N 467.485 5.373 30 20 JKED CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 520912638 RDEWBUPHDBYOHJ-HSZRJFAPSA-N 496.032 5.466 30 20 JKED COCCc1ccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)cc1 521746412 HUWOOEWDNQZECC-UHFFFAOYSA-N 484.600 5.279 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)cc2)c1 522022192 HNGUQVMAOKAUHK-DEOSSOPVSA-N 487.968 5.910 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)c2)cc1 524075917 VMTGKNGGBSUJQN-QHCPKHFHSA-N 466.459 5.691 30 20 JKED CCOc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1OCc1cccnc1 524500135 UQZRBIDKDZMRGG-UHFFFAOYSA-N 497.526 5.901 30 20 JKED CCOc1ccccc1[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)NC(C)=O 524518919 CMLYGOWDQOCPPU-AREMUKBSSA-N 471.557 5.050 30 20 JKED CN1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[C@@H](c2ccccc2)C1 556503946 IFGBFUZSHGGLFC-XMMPIXPASA-N 460.965 5.311 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 590189434 KDPUJSMRLGGCII-UHFFFAOYSA-N 469.516 5.362 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@@H]1C 590666652 HCBWCNPGGMOWJL-FDDCHVKYSA-N 499.014 6.078 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3N(C)C(=O)c3ccco3)n2)cc1 595127152 AGCBZEPKXMDPHR-LJQANCHMSA-N 457.511 5.178 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1F 597489770 NOBUNWQNKWUVDI-LJQANCHMSA-N 463.582 5.315 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2Cl)cc1 604088434 VQEAEKBGRVUZCB-OAQYLSRUSA-N 482.993 5.260 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCCOc2ccccc2-c2ccccc2)cc1 604464380 WZGQQHUONVFBFF-UHFFFAOYSA-N 477.520 5.151 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccnc(Oc4ccc(F)cc4)c3)cn2)cc1 604540301 VHCVZYSBDQARTC-UHFFFAOYSA-N 455.449 5.394 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Br)cn3)s2)c(C(F)(F)F)c1 608937531 DAPKKRHSMYSZKE-UHFFFAOYSA-N 467.270 5.034 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3c4c(nc5ccccc35)/C(=C\c3cccs3)CC4)CC2)nc1 608950865 DTNATFWCZJSVBX-SILNSSARSA-N 491.620 5.449 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2(c3ccccc3)CCCCCC2)CC1 608964049 YKAFPWYEFKVIFG-UHFFFAOYSA-N 472.589 5.431 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)c1 609060817 OBQHKRWTCZQSET-RUZDIDTESA-N 481.596 5.553 30 20 JKED CCOc1cc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c(OCC)cc1NC(=O)c1ccccc1 609094651 XHVCETWZKDTZRX-RUZDIDTESA-N 498.583 5.215 30 20 JKED COc1cc(CCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cc(OC)c1OC 609151842 RMTAWNALOZBQSF-UHFFFAOYSA-N 464.949 5.403 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCOCC1 609208913 QBEYMTAVMYHBQR-UHFFFAOYSA-N 471.557 5.538 30 20 JKED CC(=O)Nc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)c1 609371710 TXAHJRZWRZHNLF-CQSZACIVSA-N 498.659 5.223 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1 612794962 FPDWYFIQXLGFOD-UHFFFAOYSA-N 484.050 5.577 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nnc1-c1cccc(C)c1 684985030 DYXZEPKCXYRIHO-UHFFFAOYSA-N 496.061 6.526 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 726396651 FYFFYKKMWCNACJ-KBXCAEBGSA-N 480.417 5.379 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccsc2)cc1Cl 726410053 XKAOJEYCEWMZDH-OAQYLSRUSA-N 495.029 5.111 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)c1 726571397 GLZUWRVEZUWIAK-UHFFFAOYSA-O 465.942 5.348 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(OC(C)C)cc2)[n+]2ccc(C)cc2)C=C1 726573630 NNRVBMWNVUONRS-UHFFFAOYSA-O 462.595 5.163 30 20 JKED COc1ccc(/C=C/C(=O)c2sc(/C=C/c3ccc(OC)c(OC)c3)nc2C)cc1OC 726848388 PLAIDPNAOUANOQ-LMZONGNASA-N 451.544 5.552 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2ccccc2)c1C 727252466 DOVFQIWNLAVQOA-JOCHJYFZSA-N 496.036 5.334 30 20 JKED CCOc1cc(/C=C2\CCc3nc(-c4ccc(F)cc4)sc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 727685155 BUYKKOXAZZDOLJ-NISQSXRWSA-N 494.588 5.416 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 728248712 WKNITCZXNTWLMB-UHFFFAOYSA-N 463.503 5.532 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3scnc3C)C2=O)cc1 729146190 PQVFUOVUDQOCOP-IBGZPJMESA-N 486.569 5.199 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 729632101 PBXMYWCNLKOSRI-JOCHJYFZSA-N 489.988 5.076 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2ncccc2C)C1=O 729634993 YYMPMEKKWBNEAZ-HSZRJFAPSA-N 492.576 5.007 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc2cc(Br)ccc2c1Cl 729889371 OJXXKXMHQLLMPL-MRXNPFEDSA-N 489.822 6.403 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSCCS(C)(=O)=O)c3C#N)C(C)(C)C2)o1 730465754 RXXBQHKZPMLDJA-SOFGYWHQSA-N 490.672 5.016 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)cc1F 730536942 XZYJHIISLONLBA-JOCHJYFZSA-N 496.995 5.651 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730718043 UXWIJCAGHKSUKY-QFIPXVFZSA-N 474.517 5.127 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](COc2ccccc2)c2ccccc2)cc1 730914993 DCICKGLZGOGDFY-WUFINQPMSA-N 475.548 5.217 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730942774 XELKXMNLELWGIU-UUOWRZLLSA-N 490.604 6.066 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H](C)c1cccnc1 730945043 LFSVJPKCNVZMLP-AOMKIAJQSA-N 495.004 5.465 30 20 JKED O=C(O)c1ccoc1COc1ccc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1 730946075 DPHQEMMIYCYZAT-UHFFFAOYSA-N 484.537 5.063 30 20 JKED C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2[N+](=O)[O-])C1 731068305 ZFPVZMQWMQELPS-ZWKOTPCHSA-N 496.589 5.021 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@@H](C)c2cccs2)c1 731311543 DTVDEPQQQFABNK-JCPNLMEESA-N 479.627 5.352 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](c1ccccc1)C1CC1 731311569 CASSCFVGWAGQID-AZGAKELHSA-N 496.592 5.375 30 20 JKED COc1ccc(CSc2nnc(SCc3cc(Cl)ccc3OCC#N)s2)cc1 735230244 HWROYNUFYMWOPT-UHFFFAOYSA-N 450.010 5.687 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 746698183 WRMFJFLEOAKPEZ-HXUWFJFHSA-N 477.989 5.256 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cscn1 747601335 GIJYPRWXGUPFQP-IBGZPJMESA-N 468.579 5.060 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ncccc2OC)ccc1Cl 749268259 UQTKVMXHCRSGKQ-UHFFFAOYSA-N 492.384 5.031 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)O[C@@H](C(C)=O)c2ccccc2)c1 791143401 VPERALXJMOXJTB-DEOSSOPVSA-N 483.973 5.208 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)cc1 799218756 FWIGRQIOBLNICC-INIZCTEOSA-N 453.511 5.121 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2Cl)c1 819203296 VAMOYTSAMBVKMR-UHFFFAOYSA-N 462.358 5.022 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)OCC(=O)Nc4oc(C)c(C)c4C#N)c23)cc1 823559975 BNUUHEMRAOVFRL-UHFFFAOYSA-N 492.582 5.022 30 20 JKED N#CCCn1cc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c2ccccc21 828589141 FSHHSBQEJDYIPC-NRFANRHFSA-N 470.598 5.572 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)c2)cc1 912771749 FPPSLLULSBMZTF-HSZRJFAPSA-N 477.561 5.303 30 20 JKED CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(SC2CCCC2)cc1 914692739 WTIQAUHSDFGOLN-UHFFFAOYSA-N 479.675 5.230 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)O[C@H](C)c2nc(C(C)C)no2)c1 914889261 MJOHWGFCYPFTDL-MRXNPFEDSA-N 489.981 5.146 30 20 JKED N#Cc1ccsc1NC(=O)c1ccc(Oc2ccc(C(=O)Nc3sccc3C#N)cc2)cc1 915809403 VYNIUKOHDZZBQL-UHFFFAOYSA-N 470.535 5.850 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2cccc(C)c2)C=C1 916203000 JTBOLYMYALQVMT-UHFFFAOYSA-O 488.416 6.174 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916210335 BSKCWUKNFMDQHV-CRAIPNDOSA-N 496.391 5.272 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(C)cc1 916212238 LMBQOENLZNNGFI-QHCPKHFHSA-N 461.587 5.145 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(C2CCCC2)C1=O 916217577 QIPLJXDWJWJAPB-NRFANRHFSA-N 451.592 5.215 30 20 JKED CCCOc1c(Cl)cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCC 916283951 COWGGPCRGFLNPL-UHFFFAOYSA-N 482.005 6.157 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1cccc(Cl)c1 916344610 MTPSUINYMFUKGA-UHFFFAOYSA-N 461.353 5.115 30 20 JKED Cc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 916367696 LFTBOYBZAWPKAY-QGZVFWFLSA-N 469.920 5.380 30 20 JKED CC1=C(C(=O)Nc2ccc(C(C)C)cc2)[C@H](c2cccc(C#N)c2)NC(=O)N1CCCCCC(=O)O 916724377 UOZVIQJUZFDBAY-SANMLTNESA-N 488.588 5.306 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1 916894839 VHDSALANDHQBDU-LJQANCHMSA-N 464.934 5.019 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)Nc1ccccc1Cl 916904967 GWCQYRYFWGYMRT-OAHLLOKOSA-N 474.767 5.116 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 916916023 TXXWMIOYYWLJOL-HSZRJFAPSA-N 471.532 5.690 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 916926229 WEIRZWYIQNPFEW-GOSISDBHSA-N 492.919 5.220 30 20 JKED N#C[C@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916928942 YXZXNBMPOXAAOL-MRXNPFEDSA-N 494.787 5.572 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 916936386 JCCVQTAJFHEKIQ-SFHVURJKSA-N 487.314 5.681 30 20 JKED N#C[C@H](C(=O)COc1ccc(Br)cc1Cl)c1nc2cc(Cl)ccc2s1 917043623 LCNASVMOCRRNHT-LLVKDONJSA-N 456.148 5.621 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045052 XPPVAWNJNPTPJN-IEBWSBKVSA-N 457.477 5.027 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 917506578 BKYMVUYCNPOPDB-SFHVURJKSA-N 499.445 5.220 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C/c2csc(-c3cccc(Br)c3)n2)SC1=S 917644449 DKAJHMLDQQVBOD-MFOYZWKCSA-N 484.425 5.850 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)c1 917689272 LOZLLFBKFGQSMZ-RUZDIDTESA-N 490.673 5.084 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccco2)C1=O)Nc1ccccc1F 917700127 HAHOOPJVFSAMMD-QHCPKHFHSA-N 473.529 5.732 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(F)cc3)C2=O)c1 917704206 VGSQGIBPQQZYMD-XMMPIXPASA-N 486.572 5.475 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 918627415 QYDHFXLWZPVRTK-QHCPKHFHSA-N 464.443 5.217 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc4oc5c(c4c3)CCCC5)n2)cc1 920141446 OFJCJDZDLPPKQQ-NRFANRHFSA-N 453.523 5.562 30 20 JKED Cc1sc2ncn(N=Cc3cn(C)nc3-c3cc4ccccc4o3)c(=O)c2c1-c1ccccc1 920364177 QLQLIVODWUPPMY-UHFFFAOYSA-N 465.538 5.462 30 20 JKED CON=Cc1ccc(C(=O)Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc1 920855560 SDNJCZNLDXZFFW-UHFFFAOYSA-N 455.436 5.499 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1C 920893737 YNPZOMQBKYIJID-GOSISDBHSA-N 464.953 5.226 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)COCC(F)(F)F)cc1 921254960 VEICSIBIFDTVQS-KXBFYZLASA-N 497.514 5.062 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCCNC(=O)OC(C)(C)C)cc2)CCC1 1786563294 HVENKALUPPSVJV-HSZRJFAPSA-N 483.653 5.584 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c[nH]nc45)cc3)CCC2)c1 1788455359 FNQXITAHTULEJT-SFHVURJKSA-N 463.541 5.251 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccn5ccnc45)cc3)CCC2)c1 1789313430 PSVNWVKJVBMHPV-LJQANCHMSA-N 463.541 5.023 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CNc5ccccc54)CCC3)cc2)c1Cl 1790081811 QAINWERVCDUJCW-QFIPXVFZSA-N 470.960 5.169 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)on1 1790165110 YXVMAJLVCFYSPJ-GOSISDBHSA-N 456.546 5.487 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1790467953 CLETZTFLWXAAPE-NZQKXSOJSA-N 481.637 5.336 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1790568367 XGCOLOICTJBRDI-QGZVFWFLSA-N 478.980 5.437 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5cc(Cl)ccc5n4)CCC3)cc2)cc1 1790707203 GUYIRGBVTZCUJR-UHFFFAOYSA-N 483.959 5.115 30 20 JKED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1 1790772290 HEZAWZRSGROYBZ-LJQANCHMSA-N 490.604 5.324 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3nc4ccc(Cl)cn4c3C)cc2)CCC1 1790976837 YGAXHEKYFKEZAQ-UHFFFAOYSA-N 462.981 5.237 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C(F)(F)F)CCC2)cc1 1791243561 ULEPWFRFELKEGA-KRWDZBQOSA-N 459.512 5.379 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4cnc5[nH]ccc5c4)cc3)CCC2)c1 1791490636 AXMGHIARTMSDGA-HXUWFJFHSA-N 491.595 5.570 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3csc(-n4ncc5ccccc54)n3)CCC2)cc1 1791582382 RFQAPYSPLWKUCK-UHFFFAOYSA-N 483.597 5.033 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C4CCSCC4)cc3)CCC2)cc(C(F)(F)F)c1 1792353841 HRYNVALQRCBLKY-UHFFFAOYSA-N 487.547 5.468 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3ccc(Cl)cc3[nH]2)c1 1792470905 LLPSAWRVNLBQMC-RWXMBLCBSA-N 460.965 5.014 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(F)c(C(F)(F)F)c1)C2 1792572660 NOSUUJOUVDTSOJ-BCDXTJNWSA-N 454.508 5.018 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCC3CC3)c(F)c1)C2)c1ccccc1 1798559551 MMQCOSHZTBOYDX-XDZVQPMWSA-N 488.603 5.064 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 1801583727 AGUMLKPIKHNXSV-OOSCYNTBSA-N 490.047 5.560 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccoc2C(F)(F)F)[C@H]1c1cccnc1 1802504137 VUARKIPVSHOASU-MJGOQNOKSA-N 463.500 5.005 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@@H]2c2cccnc2)CC1 1802966685 HBFQMNLMTHKYGY-BBVHREJBSA-N 478.036 5.009 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)C2)CC1)c1ccccc1 1805947031 NOULZSDZYGBIMY-NHKHRBQYSA-N 498.667 5.227 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc(Cl)cc2)[C@H]1c1cccnc1 1806577229 MXOXUSZOBQBSJC-YIXXDRMTSA-N 496.127 5.035 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@H]1c1cccnc1)c1ccccc1 1809030664 OSKRFOZZBZOVGO-HPUNYJORSA-N 490.607 5.080 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)CC1 1809628024 HWARDCVIEYLQTQ-AYRHNUGRSA-N 477.693 5.588 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1810172367 JLNMWFJQBGADSL-IMSXRSKXSA-N 474.630 5.088 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2F)[C@@H]1c1cccnc1)c1ccccc1 1810446641 FTLKQQDVLWGHFI-FEVNIDIWSA-N 497.614 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[C@@H]1c1cccnc1 1810492140 JMGYMCLEQZMGAX-IYXIZZNPSA-N 481.587 5.162 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1811466125 HSKIJLSIPMQEKA-HTZUNMPGSA-N 464.368 5.059 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@@H]1c1cccnc1 1812591209 UWEIRMBFQXAGSV-HZUJVAHNSA-N 495.929 5.165 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1812671157 YHDOZPNSUAUGKE-DHLKQENFSA-N 493.529 5.419 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813868053 KAUIAIQAYKVPPA-FQNJNTOFSA-N 480.612 5.465 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)[nH]n1 1815216196 QQRFQECRFXDOSL-NIYFSFCBSA-N 499.615 5.435 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCNC(=O)OC(C)(C)C)n[nH]1 1815483940 CVMRHTLMHLIFIX-FQEVSTJZSA-N 489.661 5.089 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccco3)no2)n[nH]1 1817833759 WVBNHUCVHPVQLV-HXUWFJFHSA-N 493.640 5.015 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)c2[nH]1 1818651400 BWNLKEANBAPVRS-OAQYLSRUSA-N 486.963 5.344 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3Cl)n[nH]2)cc1 1818744696 XDPCFKJQYVDJSD-QFIPXVFZSA-N 472.936 5.036 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Br)cc3s2)n[nH]1 1819076586 PVKIEXNDERGVBV-KRWDZBQOSA-N 485.407 5.106 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819387085 YPOVYBUDTPNCNL-QHCPKHFHSA-N 480.685 5.165 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)n[nH]1 1819409975 GQUGYHOJFDPIPM-OUJCMCIWSA-N 462.619 5.058 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCNc2ccc(C)cc2C)n[nH]1 1819461743 GZJZVENHXGPKLZ-DEOSSOPVSA-N 463.626 5.289 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)[nH]n1)c1ccccc1 1819518465 RDZRSWSIDPPQMW-QPPBQGQZSA-N 495.583 5.362 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(F)c(C#N)c3)n[nH]2)CC1 1820914377 SZFXVVWHLSRVQP-QHCPKHFHSA-N 479.600 5.262 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[nH]n2)cc1 1821180490 WCAUYTCVCLZIQH-ITAIVJFTSA-N 473.621 5.388 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)c(C)o1 1821308824 IIJLCCZUSVNHMX-HXUWFJFHSA-N 485.466 5.130 30 20 JKED CSc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1822596055 LUKHAPSCIMUAHU-HOYKHHGWSA-N 487.629 5.307 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)c3ccc(Cl)cc3)[nH]n2)c1 1823212916 ZKCZTVCAUQSYAX-QZTZHPFYSA-N 490.007 5.800 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)[nH]n2)c1 1823218709 UWAWICNQTOYUSA-BVZFJXPGSA-N 480.572 5.067 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)C1 1823701690 NXXXZMYGRBRSER-HHHXNRCGSA-N 478.583 5.831 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3cccc(Cl)c3)CC2)c1 1823983496 JLQNINFVBWWYPC-RXFWQSSRSA-N 494.035 5.279 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(F)(F)CC2)CC1)c1ccccc1 1824329278 IUMINWIQEWGECE-IZZNHLLZSA-N 484.631 5.629 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1824960726 KEQWGYVCOSBLHB-LITSAYRRSA-N 494.701 5.240 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccnc(C)c2)CC1)c1ccccc1 1825043882 NTHYGXZXXFKDPJ-URLMMPGGSA-N 485.672 5.140 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1)c1cccs1 1825851827 GJVQGVVEGJKEFS-NADMHLTPSA-N 477.051 5.135 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c1Cl 1825857185 SFFDIIFVKULSTJ-SFHVURJKSA-N 476.429 5.474 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Br)cccc2-c2ccccc2)CC1 1826322466 WMCSPRLAPAWEQY-QHCPKHFHSA-N 494.433 5.263 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1 1826672282 JFXLHBPDTSMNFE-SFHVURJKSA-N 482.440 5.420 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC#N)CC1)c1ccccc1 1826693163 KZXKDFIYCZLWJV-PXJZQJOASA-N 494.724 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1827509032 KRZKUJBPUCXUFI-XMMPIXPASA-N 483.056 5.509 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2F)CC1)c1cccs1 1827681831 SDKIITRZEFVORW-SHBDEGQCSA-N 489.012 5.213 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2Cl)N(C)C)CC1 1828830109 LAHWNYSXTBVGCH-RCXJIHSJSA-N 486.100 5.331 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828878914 VBMWCQADGJCOIZ-WZLQQZPBSA-N 470.679 5.203 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CS[C@@H]2CCCCO2)CC1)c1ccccc1 1829031570 BEBZRFYTBIZBJG-UNCTUWKVSA-N 496.717 5.063 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(Cl)s2)CC1)c1ccccc1 1829033413 WQUPOLSCCBJBCT-VXKWHMMOSA-N 484.065 5.227 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc3c2CCCO3)CC1 1829067130 CRZLRESKTRKRQR-JOCHJYFZSA-N 458.668 5.299 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)Sc2ccccn2)CC1 1829070050 GJDIKYZDOFCEAC-RBBKRZOGSA-N 457.684 5.174 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1Cl 1830358952 LOSYBPJGBYWDAG-RUZDIDTESA-N 481.999 5.135 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831236161 WXQYUUNJQDXOFK-REHUZNOOSA-N 494.598 5.106 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831310670 VESITGBVDVFKKC-JTSKRJEESA-N 468.535 5.219 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 1831445300 BQCMVCUBUDHVMO-KZKAQZJJSA-N 450.614 5.424 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1831446583 BOSOUDYFOPGWME-VWLOTQADSA-N 483.603 5.539 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)C(F)(F)F 1831453409 UVMHECWRHGBUHM-QGZVFWFLSA-N 463.327 5.345 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1831528231 BRNKCNNKFJDXIU-WXVAWEFUSA-N 457.618 5.098 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2F)CC1)c1ccc(O)cc1 1831925178 WXUHZKWCKONYCI-ZJSXRUAMSA-N 482.621 5.023 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832629131 JXFRDCKHBSSDMX-QYHPOFIQSA-N 499.655 5.359 30 20 JKED Cc1c(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)oc2ccccc12 1838218701 YMALFZHWYYTWQF-FQEVSTJZSA-N 499.611 5.294 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 8649353 FJERGGTXJXVYGE-CRICUBBOSA-N 480.659 5.155 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174189 RLTSRCMHHHKOCM-UHFFFAOYSA-O 485.551 5.975 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10756354 KEGXASSJJNDGEO-UHFFFAOYSA-O 478.794 5.888 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836189 QARLQTHFKMTBMH-UHFFFAOYSA-O 499.270 7.201 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1 11125707 STOPETPANPXBIN-UHFFFAOYSA-O 473.621 6.769 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11160050 CQZWQKDLKAOPNW-UHFFFAOYSA-O 486.060 6.886 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc(Cl)c2C)cc1 11258139 DQYXQFBRQVESLF-UHFFFAOYSA-O 455.047 5.895 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)cc1 11262554 GOFCUBQHRLXJMT-UHFFFAOYSA-O 467.614 6.521 30 20 JKED Cc1ccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1NC(=O)c1ccco1 12470434 KLFKWHAVYDKWJO-UHFFFAOYSA-N 488.544 5.041 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 12844598 JUICKACDRLGUEA-CQSZACIVSA-N 484.578 5.174 30 20 JKED C=CCN(C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1nc(-c2ccccc2)cs1 14723817 UFBAYCGYNZERDO-UHFFFAOYSA-N 478.577 5.401 30 20 JKED Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)n1C 16659865 BDOFVSFJOWSQKQ-UHFFFAOYSA-N 462.623 5.317 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)nnc1-c1ccoc1C 20050621 VUABCRDTOTYMTC-UHFFFAOYSA-N 481.628 5.660 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1ccc(Cl)cc1Cl 22734833 QCUZLDIGUYZVKG-UHFFFAOYSA-O 484.472 5.931 30 20 JKED C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 23284840 MMQXPUYWXYEKIW-KRWDZBQOSA-N 477.590 5.562 30 20 JKED C[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 23523260 QIGVWIOKZUVLSR-CYBMUJFWSA-N 492.651 5.203 30 20 JKED COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Br 30510464 YQTVLBNCQWRROD-ZIAGYGMSSA-N 476.440 5.338 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)COc3ccc(Oc4ccccn4)cc3)c2)c1 32290617 DSLZKGYAOHDPDD-UHFFFAOYSA-N 451.482 5.342 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](CCC)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 32559486 YNKCQRZECZUMAM-XQFWAAQXSA-N 478.618 5.115 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(Cc1ccccc1)c1ccccc1 32786253 KZQQMKWIFYUVCY-UHFFFAOYSA-N 454.599 5.380 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)sc2c1CCCCC2 36795986 MYRIKGRRHWCHDJ-UHFFFAOYSA-N 463.632 5.137 30 20 JKED CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cc2)cc1 104539505 RHPUFGLALDZDFY-UHFFFAOYSA-N 466.493 5.187 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 195630371 LDBLYPHWWOKORY-HSZRJFAPSA-N 462.933 5.601 30 20 JKED Cc1cc(Br)ccc1NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 255941812 XEKJVEXZLQLLHM-UHFFFAOYSA-N 480.387 5.612 30 20 JKED CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3c(C#N)cnn3-c3ccccc3)nc(O)c12 302977407 JQGYBYIMJKIHQF-AWEZNQCLSA-N 492.630 5.082 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 303025863 VSAOCEYEAVTCSD-UHFFFAOYSA-N 484.306 5.031 30 20 JKED CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 477789654 KPTBCVJTBSNBQL-UHFFFAOYSA-N 458.583 5.329 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 483369925 DRKFQYNHRYASQP-VWLOTQADSA-N 469.560 5.020 30 20 JKED O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 485163256 FVBYYSKDFYTLSF-UHFFFAOYSA-N 490.713 5.369 30 20 JKED CC(C)Oc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(F)c1 498034016 XBGBUNIBHBVPOF-UHFFFAOYSA-N 463.534 5.468 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 499381910 FWKIDLBJDBHDNG-INIZCTEOSA-N 488.082 5.552 30 20 JKED CC(C)n1ncc2c(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc(-c3cccs3)nc21 501745752 OFQWWRGTBZZLCF-UHFFFAOYSA-N 498.612 5.103 30 20 JKED C[C@@H](NC(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(C#N)cc1 505363842 HUCQKHPQUFCYPW-LJQANCHMSA-N 463.965 5.056 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 505523498 JHTWJJIFPWVRMV-UNMCSNQZSA-N 495.526 5.594 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 508141638 IDTALVMULPFQIS-UHFFFAOYSA-N 459.409 5.135 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 509591592 JHSMOJSWXIKJCG-UHFFFAOYSA-N 478.346 5.613 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1 509906329 XJAIDYPPVDNVNF-RUZDIDTESA-N 469.520 5.115 30 20 JKED Cc1ccc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(OCc2ccccc2)c1 511474413 LCKPCUJAFQZEDB-UHFFFAOYSA-N 483.528 5.048 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)cc1 512537098 YYRKXNWNIZWAJS-UHFFFAOYSA-N 467.312 5.495 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1ccc(C(F)(F)F)cn1 513207316 XJPYYLAHWHQBSM-GOSISDBHSA-N 458.871 5.698 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)ccc1Cl 514427737 BLWGVAQFUQVBLV-UHFFFAOYSA-N 462.962 5.891 30 20 JKED C[C@@H](c1ccccc1)n1c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccccc1 515574092 GYXCEYMVVLYYAV-CYFREDJKSA-N 465.582 5.324 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1OC(C)C 516306206 JGWSMBXNFDHAPU-IBGZPJMESA-N 457.530 5.262 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1c(F)cccc1F 516386267 ZCUFLGCPCRZLQS-HNNXBMFYSA-N 451.498 5.058 30 20 JKED Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc12 518134857 DMAXDIYWPQIVAA-UHFFFAOYSA-N 473.536 5.626 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1 518755222 AMZHKZNLAUPSHH-FQEVSTJZSA-N 456.546 5.270 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 518858575 IHWJKKYQWNWDTN-UHFFFAOYSA-N 467.594 5.151 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 519424908 JFYRMBPFUVGFHL-OAHLLOKOSA-N 468.376 6.140 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)cc2)c1 520197090 TYQBZCPROVUVDJ-SFHVURJKSA-N 475.936 5.282 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)nc(O)c2c1C 520557995 XRUNKFOSZFLKGX-MRXNPFEDSA-N 490.610 5.938 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 520826494 XSGJFLJUHGVLRC-INIZCTEOSA-N 483.590 5.439 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc5ccccc5c4)o3)cc2)c1 520926102 NBWUHULDUJISBT-UHFFFAOYSA-N 478.533 6.285 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 520930769 JZKCNZKPDRWSRN-SFHVURJKSA-N 453.583 5.177 30 20 JKED COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n[nH]1 521719812 MNMJXJPNNYUUAW-CYBMUJFWSA-N 474.011 5.116 30 20 JKED N#CCc1ccc(Oc2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@H]3CN(Cc5ccccc5)C[C@@H]43)cc2)cc1 594654765 CUBMJBJVVZKEQJ-NYMHPOLGSA-N 477.608 5.528 30 20 JKED CCOC(=O)c1sc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c(C#N)c1C 603557676 RZQZTMHRJDIUMO-UHFFFAOYSA-N 453.467 5.294 30 20 JKED CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)[C@@H]1c1ccc(OC)cc1 603600910 MEEYIZUEOWSCQX-SQHAQQRYSA-N 498.583 5.391 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4ccccc4F)on3)s2)c(C(F)(F)F)c1 603672812 TWKSVCREJSJTJR-UHFFFAOYSA-N 472.423 5.671 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 603761890 MGPNBOXCXJNWDK-UHFFFAOYSA-N 487.434 5.229 30 20 JKED COc1ccccc1-c1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cs1 604504257 JGBOAVWWGQCVHD-UHFFFAOYSA-N 455.539 5.716 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)cc2)c1 609063854 MBYAERGSWJMEBE-FQEVSTJZSA-N 480.490 5.406 30 20 JKED Cc1csc(Sc2ccc(C(=O)Nc3cc(C#N)ccc3OC(F)F)cc2[N+](=O)[O-])n1 609068255 LQAMVQYOLIEHGZ-UHFFFAOYSA-N 462.459 5.236 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1cc(Br)ccc1F 609078401 OOIFPNYKWNVLCR-UHFFFAOYSA-N 482.353 6.011 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc(-c3ccco3)nc21 613403105 MDTCAFDAJOSUEN-HNNXBMFYSA-N 461.934 6.025 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccccc1OC 617995815 HTBLUPYGVXSDLS-LJQANCHMSA-N 486.597 6.051 30 20 JKED O=c1c(Cl)c(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1cccc(C(F)(F)F)c1 618438080 MDLZPXNMXYELIO-GHMZBOCLSA-N 493.757 5.472 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2c(F)cccc2F)cs1 620304572 OWWFGONUSMKWNC-ZDUSSCGKSA-N 457.889 5.359 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1-c1ccc(OC)cc1 643093996 NCLCRSZKVPRGAT-OAHLLOKOSA-N 451.527 5.491 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CC)C1=O 726415599 MBTODBPSZPUXSQ-QFIPXVFZSA-N 469.607 5.243 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1=S 727422960 GIGNJOKOKKMMJW-OAQYLSRUSA-N 458.990 5.014 30 20 JKED CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 728163733 ZYWIGTWQSGNWOD-UHSQPCAPSA-N 477.612 5.023 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@@H](C)c1ccc(OC)c(Cl)c1 728775579 KEJIXQHKEQUQAB-LBPRGKRZSA-N 468.731 5.065 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(CCCCC#N)C2=O)cc1 728776906 GOPBUEQPSFOSLE-XMMPIXPASA-N 490.629 5.667 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 728780380 RXTVPRKWURMFIB-HSZRJFAPSA-N 492.551 5.772 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Br)c1 728780791 ZGROIJURZJMVPK-IBGZPJMESA-N 485.407 5.103 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1OC 729633458 DUYVYRMFSXWDEE-JOCHJYFZSA-N 469.607 5.100 30 20 JKED CN(C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)c1ccc(C#N)cc1F 729653904 OHMBUYSPLNPYGL-UHFFFAOYSA-N 461.294 5.347 30 20 JKED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1sc2cc(Br)ccc2c1Cl 729888323 JXIBKUUDVBYCJS-CYBMUJFWSA-N 491.750 5.050 30 20 JKED Brc1ccccc1-c1nc2c(s1)C(=NNc1nc(-c3ccncc3)no1)CCC2 730433676 SAKGUAZGULLTEB-UHFFFAOYSA-N 467.352 5.170 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc3cc(Cl)ccc3s1)O[C@@H](C)C2 730689720 KIVFLYFCBUDLLE-FRJURHEUSA-N 452.963 5.652 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cocn3)C2=O)cc1 730724195 LJKNGSRQAJPITM-DEOSSOPVSA-N 498.564 5.191 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 730953760 SCGTUYOPDHMIQD-MRXNPFEDSA-N 490.576 6.237 30 20 JKED N#CCCN(C(=O)CCC(=O)OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 731255849 YTORCLWNPZMTAA-UHFFFAOYSA-N 485.565 5.086 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)c(Cl)c1 731307326 HDUWYFQHGANCJY-SZNDQCEHSA-N 498.967 5.301 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C1=O)Nc1cccc(O)c1 731307960 KARKBZXMSLJUPM-OAQYLSRUSA-N 499.514 5.572 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C/c2csc(N(C(C)=O)c3cccc(Cl)c3)n2)S1 733779026 CAHUCHBWZBQMMX-ZHZULCJRSA-N 491.082 6.402 30 20 JKED Cn1cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c(C(F)(F)F)n1 747386656 QBJUEAXIKFBRKO-UHFFFAOYSA-N 484.353 5.018 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cscn2)C1=O)Nc1ccccc1F 747600958 RSDKVGYFXJLQAY-SFHVURJKSA-N 474.970 5.096 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cscn3)C2=O)cc1 747601450 VFNYJOSZCFACOZ-NRFANRHFSA-N 480.615 5.092 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2nccs2)cc1 747601849 HPRVCZSOVUOCLG-NRFANRHFSA-N 478.643 5.217 30 20 JKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)COC(=O)c2sccc2C#N)cc1 748098071 ISOLXINCYCLIFJ-UHFFFAOYSA-N 456.907 5.260 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N([C@@H](C)c2ccccn2)C1=O 837299458 ISKMQRMCXIOJQP-MBSDFSHPSA-N 474.586 5.120 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3ccccn3)C2=O)cc1 837519259 ODEHKUWGYSGZRZ-UZUQRXQVSA-N 472.570 5.006 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C)cc1 838487074 VMUQAMNHBQVMIS-HSZRJFAPSA-N 477.561 5.303 30 20 JKED N#Cc1c(Br)cccc1OCc1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 904508220 RYSQLWKXZIVCMI-UHFFFAOYSA-N 467.254 5.276 30 20 JKED CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2)CC1 915087063 PDELXQXQMCZGDU-AREMUKBSSA-N 473.598 5.015 30 20 JKED C[C@@H](OC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)C(=O)N(CCC#N)c1ccccc1 915578900 VGGNYBONFRSZFY-QGZVFWFLSA-N 474.561 5.181 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(\Cl)c3nnc(C(=O)Nc4ccc(F)cc4)s3)c2)c1 915986873 HKFSJXZNKCTEJO-XKZIYDEJSA-N 490.947 6.117 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/Cc3ccccc3C2=O)cc1OC 916137202 WLVUXRIJSZYKKH-WQRHYEAKSA-N 463.917 5.197 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccc(F)cc2)c1 916206082 LXXBTCFRRQZDBY-JOCHJYFZSA-N 499.514 5.273 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 916722552 OUDPNXONJIMVJN-GNVQSUKOSA-N 498.624 5.130 30 20 JKED CC(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c2cnn(C(C)C)c2n1 916888706 ZVSGWSIPRKNASF-KRWDZBQOSA-N 471.533 5.411 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916915864 QMZQUJHBSZUBTC-GOSISDBHSA-N 473.941 5.768 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 916928445 LIBPCUWWWAUVJP-QGZVFWFLSA-N 474.369 5.227 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(OC)ccc(Br)c3[nH]2)cc1 916949084 LSBRXUNCHLWNKQ-SUMWQHHRSA-N 468.351 5.414 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 916954860 KZBYOQJOFINDOZ-IIBYNOLFSA-N 496.036 5.572 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 916955579 RTVBRDUEDUXEKN-UUOWRZLLSA-N 454.530 5.805 30 20 JKED Cc1cc(N2C[C@H](C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)CC2=O)ccc1Br 917027014 SZLPOOGRPINYCV-SJLPKXTDSA-N 480.387 5.110 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 917431160 ZLBNSZFCXLSSMR-GOSISDBHSA-N 466.010 5.899 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2cc(Br)c(O)c(Br)c2)cc1 917518322 ZURYUWIIRCOUJW-UQCOIBPSSA-N 492.167 5.126 30 20 JKED O=C1Nc2ccccc2C12CCC(=NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)CC2 917533909 RCTDDPDOSWLFPA-UHFFFAOYSA-N 466.916 5.465 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)cs1 917561771 NBXCCYUWHMFHCZ-WTKPLQERSA-N 469.752 6.823 30 20 JKED CCOCCCn1c(NN=Cc2sc(Nc3ccccc3)nc2Cl)nc2ccccc2c1=O 917587067 MITRKLYAYWFYGZ-UHFFFAOYSA-N 482.997 5.123 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc3ccccc3o2)cc1 917612298 OQWIRCCYFOHVEC-UHFFFAOYSA-O 454.575 6.213 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2c(F)cccc2F)C1=O 917675691 WHFSWPJUGJTLOM-QHCPKHFHSA-N 495.551 5.176 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1 917801690 NCVYZGRSONLYJK-LGUFXXKBSA-N 485.553 5.144 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](C)c1cc2ccccc2o1 920195817 UTXBDZOFAFIVPN-CJFMBICVSA-N 465.553 6.027 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)n1 920328999 WYYKEKKDVXUIMB-WIYYLYMNSA-N 471.003 5.672 30 20 JKED Cn1cc(C=NNc2ncnc3cc(-c4ccc(Br)cc4)sc23)c(-c2cccnc2)n1 920372982 LOEQRWFLROSPTO-UHFFFAOYSA-N 490.390 5.362 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cs1 920374902 CMJCYOGSCDSFCL-UHFFFAOYSA-N 480.422 5.447 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CC2CCC2)C1=O)Nc1ccccc1C(F)(F)F 920927759 XNNMSXXIPNXQKX-LJQANCHMSA-N 461.509 5.466 30 20 JKED COc1cc(NC(=O)C(C)(C)C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 921034989 JPVQKXPCSPUHOJ-UHFFFAOYSA-N 473.529 5.605 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H](Sc2ccccc2)c2ccccc2)n(Cc2ccco2)c1C 921249392 CURURLCNUKNQFJ-AREMUKBSSA-N 499.592 5.633 30 20 JKED CCc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cc3Cl)CC2)s1 1708934249 ZJHGDKYPTWZFEI-UHFFFAOYSA-N 469.058 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)C1 1780015510 DJXYTHIDBVLDCU-MUUNZHRXSA-N 491.657 5.332 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4cc(Br)ccc4Cl)CCC3)cc2)CC1 1787880166 RUCALPRNKPSUMG-UHFFFAOYSA-N 486.797 5.083 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)c1 1789014651 JWQZTGNVDCMEEB-FQEVSTJZSA-N 474.564 5.923 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cc2)CCC1 1789103974 NCVWZNYTAILVJV-STBIYBPSSA-N 475.976 5.218 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1790511533 PTBOJZROWAVHFU-GOTSBHOMSA-N 480.992 5.087 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc4c3oc3ccccc34)cc2)CCC1 1791007427 QBYPBMWNTOEMNN-IBGZPJMESA-N 466.537 5.372 30 20 JKED CN(Cc1ccccc1)[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1)c1ccccc1 1791130242 QRALINDHLVMNDP-MUUNZHRXSA-N 480.612 5.298 30 20 JKED Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)cc1Cl 1792733248 RQLKIMTUURLXJQ-ACDBMABISA-N 475.898 5.105 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1cccc(Br)c1 1793474410 VYDPMSAWSLRHPP-KGSLCBSSSA-N 489.454 5.015 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(F)c(F)c1 1796501401 GZEWOPHAUMBYFK-WKCHPHFGSA-N 465.544 5.047 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@H]1c1cccnc1 1802499011 FJBUWIUOONCCMB-CYFREDJKSA-N 479.024 5.528 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2sccc2Cl)[C@H]1c1cccnc1)c1ccccc1 1810443239 GCVMGYIVLDVCEU-GPXNEJASSA-N 492.044 5.313 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)c1cccc([C@@H](F)c2cccc(F)c2)c1 1810469180 QBKFDLGBLUVZLP-RFYMFKDESA-N 499.561 5.013 30 20 JKED C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811402639 HSWKLORYKYAJLS-BWKNWUBXSA-N 483.534 5.101 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H]2c2cccnc2)c1 1811939348 HPDPPBDNTCXUAT-GBXCKJPGSA-N 493.394 5.202 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813963255 NWKMBPBAXKRYMS-CVDCTZTESA-N 489.513 5.328 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)c(Br)cc3Cl)[nH]n2)C1 1814397258 GKDWIIABGYJDRV-SFHVURJKSA-N 495.780 5.237 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1814571624 QHSYEEOVKCRGMA-OAHLLOKOSA-N 468.772 5.226 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1F 1814587061 DJIWSNIULWCKEY-HTAPYJJXSA-N 459.525 5.104 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(OC)c2Cl)n[nH]1 1814610216 KIGHSXQLJPCRSQ-SFHVURJKSA-N 489.016 5.379 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)[nH]n1 1814829447 PZYXTWOLZSFBJP-QGZVFWFLSA-N 450.461 5.096 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC3CCCC3)n[nH]2)cc(C(F)(F)F)c1 1816688783 CRLNNFOCFPXSEY-HXUWFJFHSA-N 473.499 5.186 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1817097495 FVXUUNJNFDTCHE-OAHLLOKOSA-N 480.384 5.216 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC#N)n[nH]2)cc(C(C)(C)C)c1 1817123067 DBQSSRCWYIVOLE-JOCHJYFZSA-N 463.626 5.614 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cc(Cl)ccn23)n[nH]1 1817777771 LZFCZXDSKGNEOA-GOSISDBHSA-N 468.989 5.009 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(F)CCCCC3)n[nH]2)cc(C(F)(F)F)c1 1818882256 XURYHOZPZLASCX-IBGZPJMESA-N 491.489 5.278 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Br)cc3s2)n[nH]1 1819076288 DSUFDMKEJKSTRD-MRXNPFEDSA-N 473.396 5.269 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)[nH]n1 1819309389 UFVNIEKBCOQWKF-JXFKEZNVSA-N 451.596 5.335 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 1820503245 QMKHKRDRRUGMOL-LJQANCHMSA-N 465.381 5.005 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4)n[nH]3)cc2n1 1820549697 NYRBOIYVGHZVDV-XMMPIXPASA-N 498.974 5.411 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccccc3Br)CC2)n[nH]1 1820946432 KVIZSISCMHNODF-OXJNMPFZSA-N 485.426 5.108 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821276064 ZMWUTXPWOKZOCN-JOCHJYFZSA-N 491.592 5.136 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1)C(F)(F)F 1821994444 VBJLHUSLYBEKBC-OAHLLOKOSA-N 469.533 5.023 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccc(Br)cc3c2C)[nH]n1 1822393749 DWXFXLQWTFAUMB-HXUWFJFHSA-N 496.409 5.071 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)[nH]n1 1822584574 VYYMLJPMVAHNIK-OAQYLSRUSA-N 497.521 5.476 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ncc[nH]4)cc3)[nH]n2)c1 1823215763 COIWYCIVRIJHPT-MHECFPHRSA-N 493.571 5.047 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)[nH]n2)c1 1823216262 RNFXLXAEOLIWNN-XTSFHXCASA-N 493.611 5.465 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C3CCCCC3)CC2)c1 1824053693 AOIXSOMZEKHTDY-HSBSSIIGSA-N 461.650 5.247 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824245768 GCYRFRLNDZGOSB-QNAFOZIXSA-N 470.057 5.537 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824413959 SAPVNFXIQZBMLY-OAQYLSRUSA-N 466.931 5.006 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1824538632 NAXWKANRBHPANS-PMACEKPBSA-N 474.564 5.032 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(-c3ccccc3)n2)CC1 1827764009 XNJADUGKAVSMCH-HHHXNRCGSA-N 457.618 5.176 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321139 HHSCJJIDTVNIHL-LAUBAEHRSA-N 490.069 5.589 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(F)CCCCC3)CC2)c1Cl 1828414652 ZGATZGKMIRLUIW-OAQYLSRUSA-N 459.993 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)Sc2cccs2)CC1 1828826227 AANUGZFQQGUDHU-FCEUIQTBSA-N 460.709 5.617 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccn2)CC1)c1ccccc1 1829031634 CPJISROJVULPPC-AOYPEHQESA-N 478.036 5.166 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 1829372070 XMYXYQXMIRTYJB-DVECYGJZSA-N 483.056 5.186 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)c1 1829705106 CMEYMBLGQVVKHA-HHHXNRCGSA-N 484.575 5.240 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1F 1829967491 ACZQMIDQRNRMRT-SANMLTNESA-N 491.607 5.340 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1 1830492966 CVGLJKJHDLGDIN-RUZDIDTESA-N 457.574 5.016 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4c3CCCC4)CC2)cc1 1830633645 UTBFHGXMFFVOLY-MUUNZHRXSA-N 469.629 5.179 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1832030121 HHYOOUXOWLITMU-VWLOTQADSA-N 495.664 5.461 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cnccc34)CC2)c1 1832631547 FEGQLAHKHNUAQY-RBTNQOKQSA-N 480.612 5.409 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 1832633879 OPGCEAUSBJGRSN-BVZFJXPGSA-N 465.544 5.139 30 20 JKED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)c2ccc(Oc3ccccc3)cc2)C1)c1ccc(O)cc1 1845313623 ZCCHAGVQAYETHO-RUZDIDTESA-N 494.591 5.199 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 10533184 MYTPMTYVGBJMBW-HSZRJFAPSA-N 456.571 5.612 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(N(C)C)cc2)c1 10760559 ODORGZSJSYZBMK-UHFFFAOYSA-O 456.994 5.500 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccc(Cl)cc2)cc1 10831905 KEYDXSZELPHGJZ-UHFFFAOYSA-O 453.971 5.012 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)cc1F 11082896 IBRMAZKRLGKONW-UHFFFAOYSA-O 496.052 6.778 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(N(C)C)cc1 11258698 SVTHYJQVOXCYEO-UHFFFAOYSA-O 465.042 5.542 30 20 JKED COc1cccc(NC(=O)C2=C(C)N(c3ccc(C)c(F)c3)C(=S)N[C@H]2c2cccc(C#N)c2)c1 11559803 ASZRZUNKNMMGAP-VWLOTQADSA-N 486.572 5.363 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccccc2)c(Cl)c1 15248206 MXLRRAWDJXKUTO-UHFFFAOYSA-O 464.825 6.602 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 18085177 IQTMFTJYXKKZGL-UHFFFAOYSA-N 496.441 5.200 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCSCc2ccccc2C#N)cc1 18107175 JRAAHYUOBJLNMJ-UHFFFAOYSA-N 475.639 5.261 30 20 JKED C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 21644327 LEGOQCGQQOJRSG-HNNXBMFYSA-N 475.599 5.128 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C 23283368 WHDLSDWVUNMWSY-LJQANCHMSA-N 475.643 5.395 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1 24099171 SXXMVJLZFCQAKQ-GOSISDBHSA-N 451.548 5.095 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c1 26754286 XFJXKPYXGDZRPR-KRWDZBQOSA-N 451.621 5.386 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)ccc1Cl 26859025 AYQCESNRZQYSRM-UHFFFAOYSA-N 496.803 5.675 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nc2sc3c(c2c1=O)CCC3 28381148 ZZYXYKMSHLTWTQ-UHFFFAOYSA-N 479.599 5.178 30 20 JKED C[C@H](NC(=O)c1cccnc1SCc1cccc(Br)c1)c1ccc(C#N)cc1 31759191 GCSIFWDADROBOQ-HNNXBMFYSA-N 452.377 5.499 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)c(C)c1[N+](=O)[O-] 32289081 NEACQRZTKNJKCY-UHFFFAOYSA-N 481.512 5.159 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCN(Cc4ccccc4)CC3)c2)cc1 71922654 SQNLCCIYWBXSAN-UHFFFAOYSA-N 454.574 5.118 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCc2nc(C)c(C)o2)ccc1Cl 109023884 DHDYQWNWQVYDBZ-UHFFFAOYSA-N 495.384 5.337 30 20 JKED COc1ccc([C@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)N2CCCC2)cc1 255941418 RIAYIRYCNHTHFI-DEOSSOPVSA-N 457.599 5.285 30 20 JKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1-c1ccccc1C#N 302866193 QDOBKKTXPAPISB-UHFFFAOYSA-N 452.341 5.633 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1-c1ccncc1 302979988 TUEXRXKWGVXFAL-SFHVURJKSA-N 487.032 6.431 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 303079161 SZCPTVLHYCRMOP-QHCPKHFHSA-N 457.549 5.321 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccccc1F 486257446 AUVYTMIAVDQUPW-UHFFFAOYSA-N 480.565 5.433 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)ccc3Cl)s2)c(C(F)(F)F)c1 487358138 WWTUNWQMJWBUSK-UHFFFAOYSA-N 456.276 6.183 30 20 JKED COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 487694165 YDYJFNOMMZLFEB-VWNXMTODSA-N 487.987 5.176 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1oc2ccccc2c1CSc1ncccn1 499378413 QEIBIVYAXJHJAU-UHFFFAOYSA-N 466.522 5.827 30 20 JKED Cc1cccc(NC(=O)CSCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 501158506 DZTVUWWRGHXXGX-UHFFFAOYSA-N 461.562 5.219 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC1 501167114 CUHPMHAQXSXTFK-UHFFFAOYSA-N 481.531 5.179 30 20 JKED COc1ccccc1SC[C@H](C)CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 505521330 VRENGOZPRQDVSK-GOSISDBHSA-N 462.619 5.247 30 20 JKED N#Cc1c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)sc2c1CCCC2 506562599 MKXUWYVNDDFJMW-AWEZNQCLSA-N 462.402 5.296 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 509958089 SRLWUUQWNPPCIZ-UHFFFAOYSA-N 460.490 5.710 30 20 JKED CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 510444002 WRMPOBYTLAFNFX-UHFFFAOYSA-N 468.369 5.666 30 20 JKED COc1cc(OC)cc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c2nccn2C)c1 510522953 RUKNIDMGLLGTGU-SANMLTNESA-N 497.555 5.321 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510683137 PWUUHZKUTFLLNR-UHFFFAOYSA-N 451.530 5.837 30 20 JKED Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)cc1F 510692519 FBFBHRZSFHMZQN-UHFFFAOYSA-N 486.547 5.358 30 20 JKED CN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 511286137 HUFKAKCKVNMYMG-HXUWFJFHSA-N 452.341 5.246 30 20 JKED N#C[C@H](C(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)c1nc2ccccc2s1 513692953 XKQGYKADBDLCIA-QGZVFWFLSA-N 494.345 5.940 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 514197003 GXQUOPPPMXLBLX-HHHXNRCGSA-N 450.517 5.594 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 515043579 LSTAOJXSCQPPGZ-UHFFFAOYSA-N 462.868 6.062 30 20 JKED C=CCN(C(=O)C[C@H](C)c1ccc(F)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 515868165 GJTAFRPRIOVPCK-INIZCTEOSA-N 458.580 5.066 30 20 JKED CCCc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cnn1Cc1ccccc1 516269849 APSZREWFVMYDSE-NRFANRHFSA-N 456.571 5.506 30 20 JKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)oc2ccccc12 516285380 TZFCEPIGLHDTGE-MRXNPFEDSA-N 473.916 5.875 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1 518566990 PHLIFVVESKROCL-UHFFFAOYSA-N 479.458 5.499 30 20 JKED N#C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl 519486351 DLUDMJKMMVYUAN-SFTDATJTSA-N 452.341 5.236 30 20 JKED Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1F 520187634 WZPPOKUGRGAONF-QGZVFWFLSA-N 483.590 5.582 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCC3(c4cccc(C(F)(F)F)c4)CC3)cc2)c1 520198949 MCLYHTPCMZSZDR-UHFFFAOYSA-N 479.458 5.156 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 521118247 ZXKVUVQFFHMDTG-UHFFFAOYSA-N 472.526 5.025 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 523504968 BFBOGGOXULYDEK-UHFFFAOYSA-N 470.312 5.034 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)o1 524352767 XDGYFOMGFGMSRQ-UHFFFAOYSA-N 466.497 5.304 30 20 JKED COc1cc(C#N)ccc1OCC(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 556467040 GLCLXOQASSYSPJ-UHFFFAOYSA-N 480.446 5.001 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 557529308 VQDKYSQEFJTBBX-ZDUSSCGKSA-N 467.900 5.356 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)cc1 594651464 BDZXMDPJYFELOI-JAHYEJHYSA-N 481.571 5.472 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)n1-c1nccs1 603897085 URSKLDKDYYDLFU-UHFFFAOYSA-N 487.532 5.741 30 20 JKED CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604138821 JTEMNULFQIEMAR-SANMLTNESA-N 470.573 5.540 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(OC(F)F)c1 604142318 IWWSDDZRTNLJCI-QVKFZJNVSA-N 483.902 5.413 30 20 JKED CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 604155963 AUZRESZXPVNWKN-UHFFFAOYSA-N 455.558 5.032 30 20 JKED COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 608841531 RJYQVSGQBURLRR-DFBJGRDBSA-N 474.992 5.652 30 20 JKED COc1ccc(-c2cnc(CCC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)o2)cc1 609174682 UDKMPWXOLULFIN-VWLOTQADSA-N 467.525 5.243 30 20 JKED CCOc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cc1 609204689 FBTFHYGMHBSTDI-UHFFFAOYSA-N 457.530 5.825 30 20 JKED O=C(C[S@@](=O)Cc1cccc(OC(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609251183 CAYMABIOHQXSSZ-HKBQPEDESA-N 475.357 5.213 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)cc1 609416393 NOPORWLCZQNIQQ-OAQYLSRUSA-N 488.396 5.122 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 609435063 NOWJIQYHHLKTOQ-KRWDZBQOSA-N 455.580 5.173 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 609435318 GCPDKSLAJMXFHI-GKVSMKOHSA-N 493.654 6.339 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(-c4nc5ccccc5s4)o3)cc2)c1 609436011 TZINGXGRAXDXHF-UHFFFAOYSA-N 494.532 5.475 30 20 JKED CC(C)c1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cccc(Cl)c1 613403670 HMGNTACAZPXGIU-MRXNPFEDSA-N 453.880 5.884 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(-c3ccccc3)nc21 620304218 IEUXAGHZLOZDHL-KRWDZBQOSA-N 485.519 6.010 30 20 JKED C=CCn1c(SCC(=O)c2cc(Br)sc2Br)nnc1-c1ccco1 623289485 UKICEHJSOIBFLL-UHFFFAOYSA-N 489.214 5.286 30 20 JKED C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@H]1COc2ccccc2O1 644448797 GAFYFIWSJCRHSD-LJQANCHMSA-N 491.400 5.404 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccccc1OC 684998497 FNLVYWUFKNOELE-XMMPIXPASA-N 486.597 5.620 30 20 JKED O=c1c2ccccc2nc(S)n1N=Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 725860003 TYZQYLCTUNEGQV-UHFFFAOYSA-N 471.973 5.133 30 20 JKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1-c1ccc(Br)cc1 726319168 AJNOVQDLYXSIQO-HXUWFJFHSA-N 472.342 5.569 30 20 JKED Cn1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)ccc1-c1ccccc1Br 726320134 SXWLTQYOSGAIKN-INIZCTEOSA-N 456.727 5.069 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3ncon3)cc2)c1 726929050 GCKVFVKEBCWQMN-UHFFFAOYSA-N 494.960 5.024 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C/c2cccc(OC3CCCC3)c2)n(Cc2ccco2)c1C 727886459 NZZFKDRBOHBOHJ-OUKQBFOZSA-N 487.556 5.134 30 20 JKED CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 728260306 JABHASUJVDDDEX-UHFFFAOYSA-N 489.597 5.865 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)cc1 728777286 JXQDRHYWGDJCBK-OAQYLSRUSA-N 485.009 5.393 30 20 JKED C[C@@H](CC#N)N(C)Cn1nc(-c2ccc(F)cc2)n(-c2ccc(SC(F)F)cc2)c1=S 728902674 VKOUCWFSOHVXJK-AWEZNQCLSA-N 463.554 5.716 30 20 JKED CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 729568698 ADHHFNMBQJBZPC-UHFFFAOYSA-N 484.984 5.312 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ncccc2C)c(C)c1 729632907 BJXPFMNTFPJRBQ-HSZRJFAPSA-N 494.567 5.446 30 20 JKED N#CC1(c2ccccc2)C/C(=C\c2cnn3ccccc23)C(=O)/C(=C/c2cnn3ccccc23)C1 729644134 PPKSCRZILAZTJA-NNFYUIBOSA-N 455.521 5.273 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(OC)c3)C(=O)N2Cc2ccco2)c1 730531656 UXEXGFPMASJZEL-QHCPKHFHSA-N 493.585 5.020 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)cc1C 730711106 YSHQFTIIVJTQCZ-FQEVSTJZSA-N 468.966 5.105 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3OCc3ccccc3)n2)cc1 730922869 MQOBCHXEUIZZAU-JOCHJYFZSA-N 465.534 5.516 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730943631 HRKJTWSHLAOSKQ-GAJHUEQPSA-N 494.567 5.698 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)cc1 730962430 RLJIHCBKXWWCRP-GOSISDBHSA-N 498.320 6.117 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 731068302 ZFPVZMQWMQELPS-MSOLQXFVSA-N 496.589 5.021 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2cccc(Cl)c2)no1 731077830 KKRJIRIRNWHFPW-CQSZACIVSA-N 455.923 5.185 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 746664669 PQVUGOHIOYYBDL-SFHVURJKSA-N 464.418 5.525 30 20 JKED C=C(C)COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)ccc1OC 747138417 DFYOFQHLUCCYBG-OAQYLSRUSA-N 491.535 5.100 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2nccs2)C1=O)Nc1ccccc1F 747598854 FNFYIIMOVYXYHK-SFHVURJKSA-N 488.997 5.139 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(Cc3cscn3)C2=O)cc1 747603490 SFFIZUBAMFVCRA-OAQYLSRUSA-N 498.605 5.150 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 749485962 ITFDMXZGHJAYTF-BJKOFHAPSA-N 488.385 5.348 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837286474 WCOADMZNQJXXPE-CVDCTZTESA-N 488.613 5.429 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 837787245 DGCBNLFPDXRCSW-VFNWGFHPSA-N 482.968 5.596 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)CCc2ccco2)cc1 838039473 DLOSZYJEXQYAIO-GAJHUEQPSA-N 495.576 5.409 30 20 JKED COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)Nc2ccc(C#N)cc2)cc1OC 865752918 FAZKSVPLMCNGAL-UDWIEESQSA-N 480.467 5.365 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)n2)cc1 915100449 QVEIBWAEIHKBSR-NRFANRHFSA-N 497.542 5.866 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCc2ccc(C)o2)C1=O 915110734 AUVJNTRIMUCBQK-QFIPXVFZSA-N 498.004 5.453 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1C 915514439 KYVVCAZYUYFNDF-UHFFFAOYSA-N 487.531 5.107 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1 915787914 NDGXNQFVGMVTBO-UKILVPOCSA-N 485.996 5.901 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)cc1 916156298 ROOWSCRNJLYDNK-RTWAWAEBSA-N 474.358 5.096 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccc2)c1 916204775 BOTSGJBAURNMJV-JOCHJYFZSA-N 481.524 5.134 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccccn2)C1=O)Nc1cccc2ccccc12 916209676 QFGFGFVLDHFGQZ-VWLOTQADSA-N 498.583 5.577 30 20 JKED Cc1ccccc1-c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 916342124 VAQMAVARFOPFCJ-UHFFFAOYSA-N 481.541 5.185 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)OC)cc2)c1 916475614 YZXNMTRMNYXNPT-UHFFFAOYSA-N 499.976 5.152 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 916849671 XQOOSCPGBAGGIA-LPHOPBHVSA-N 496.617 6.110 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916885362 VAHNCGNHJHCCCP-SFHVURJKSA-N 469.353 5.663 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916885386 VGMFGEBAZVODEH-NRFANRHFSA-N 460.946 5.241 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc12 916887972 QZGQCOOPDJOCEJ-ZDUSSCGKSA-N 494.317 5.215 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 916908625 QOWCYIIQRCAXPO-DEOSSOPVSA-N 488.971 5.422 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3ccccc3n2Cc2ccccc2F)cc1Cl 916940410 MDTPCNHULUGGSA-LJQANCHMSA-N 475.907 5.452 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1OC 916944857 ONGUFYVMGLWGII-MRXNPFEDSA-N 490.368 5.404 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 917042574 GGLNRCJDNADFAJ-IBGZPJMESA-N 480.467 5.801 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1cccs1 917045841 AXQGNHVKDLXKKX-GFCCVEGCSA-N 460.009 5.258 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2cc(Cl)ccc2s1 917047448 XOFSHYDDWGHOMJ-CXAGYDPISA-N 478.788 5.738 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1 917119879 ZSSRNFTXGLYPHA-GOTSBHOMSA-N 474.358 5.096 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Oc3ccccc3)c(F)c2)cs1)c1ccc(F)cc1F 917144348 HLIICBROHUEICS-PKNBQFBNSA-N 494.494 6.933 30 20 JKED Cc1c(C=Nn2cnc3sc4c(c3c2=O)CCCC4)c2ccccn2c1C(=O)c1ccccc1 917565161 MKJUAUWAXLIBGI-UHFFFAOYSA-N 466.566 5.011 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(OC)c(Cl)c2)cc1 917611977 AOPSRFCCEGSBRC-UHFFFAOYSA-O 493.052 6.735 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccnc(C)n2)cc1 917682932 MXYWLZXSUWZITI-RUZDIDTESA-N 495.608 5.407 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1C#N 917704092 SCMSGUKDXREPEG-GOSISDBHSA-N 493.803 5.665 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 918430632 HZQHJQXAVAFHDS-SFHVURJKSA-N 476.429 5.221 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 920108948 BOZJOEPUGSUZIG-MLGOLLRUSA-N 492.359 5.757 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 920113377 VZIXDSDMKTWLEW-ZYFMVTBLSA-N 482.918 5.356 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1c(C)noc1C 920352572 PKYXRAPMHAKUET-OAQYLSRUSA-N 498.555 5.347 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2cc(C)on2)C1=O 920354548 DULOBKXIRDIQGO-QHCPKHFHSA-N 492.601 5.241 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N/C[C@H](O)COc1cccc(Cl)c1Cl 920386722 FFZNEFSZFZRVCB-VRNAMWFNSA-N 497.998 5.083 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)cc1 920870331 SIMLXKSHUYRSGA-MHECFPHRSA-N 491.613 5.091 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1 921129209 VBVYAIAXKXWFLP-RUZDIDTESA-N 469.566 5.473 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3ccccc23)C1 1778434970 YXZUSQOJNPGNIV-GGXMVOPNSA-N 490.720 5.018 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)C2)c1 1778867780 FESPIJNUORTUGE-CYLWGYMRSA-N 491.676 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(Cl)cc1F)C2 1779512844 IRHLMGXYATVUSB-HYBUGGRVSA-N 485.427 5.252 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CNc4ccccc4O3)CCC2)cc1 1785842593 GVBJCIQCFNNUHW-QFIPXVFZSA-N 461.606 5.376 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3Cl)cc2)CCC1 1785956823 BMQMOTIKLGUKNY-MRXNPFEDSA-N 456.970 5.317 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)nc1C 1787170528 SUXHAUPUWYPUPI-UHFFFAOYSA-N 493.489 5.045 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951695 RLAFCQGZUVBSRJ-XXKTVHSTSA-N 473.617 5.090 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)cc2)CCC1 1788376061 OSSPZQSLRZJPEA-UHFFFAOYSA-N 459.496 5.188 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)C3(c4cccc(Cl)c4)CC3)CCC2)cc1 1789577844 OCZDINXHNBYWRR-STBIYBPSSA-N 475.976 5.218 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)c4ccccc4)CCC3)cc2)c1 1790076363 IWQLHYDSAKMNCM-IBGZPJMESA-N 453.542 5.118 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)n[nH]1 1790082751 MEUCIHITZSTPEV-UHFFFAOYSA-N 461.953 5.120 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc1 1790691681 BGZDJBYKLALFFC-ZCTHSVRISA-N 494.595 5.554 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4csc(C(F)(F)F)n4)CCC3)cc2)cc1 1790706821 WQETXVWAEOEWKL-UHFFFAOYSA-N 484.503 5.289 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(Br)cn34)CCC2)cc1 1791250362 PTITUDIQWZSYNL-MRXNPFEDSA-N 481.394 5.057 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cc(Cl)ccc34)CCC2)cc1 1791298554 ARVAPIYCPOWGSS-UHFFFAOYSA-N 458.896 5.175 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(Br)ccc3OC)CCC2)cc1 1791589878 WQCVQZVIKZPOIK-AWNIVKPZSA-N 469.379 5.181 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn(C)c4C(F)(F)F)CCC3)cc2)c1 1792123049 HTGZEUOBLTWHEV-MRXNPFEDSA-N 495.505 5.127 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccc(Br)cc4)CCC3)cc2)CCC1 1792232723 JUWCNQONESAJST-FGZHOGPDSA-N 492.417 5.381 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)c(C)c1)C2 1798334074 LPQNORYLNXHHTN-NDBXHCKUSA-N 495.664 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2 1798594846 TVLRQAGKZJSIPC-BJESRGMDSA-N 489.701 5.091 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2occc2n1-c1ccccc1 1799111597 LMKLHNFUDUKMNC-CWKRKGSWSA-N 457.574 5.244 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1c[nH]c2ccc(OC)cc12)c1ccccc1 1800216893 HPKCYBXYYLFTKQ-JSYJOVFHSA-N 495.623 5.025 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1802492399 NBPQSEAUZOVKAF-NFBKMPQASA-N 454.014 5.355 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1802496449 IWTIOXPQPZZUIU-CYFREDJKSA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1802502062 DZWXWTBNOIKBCE-NZQKXSOJSA-N 454.014 5.355 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3c3cccnc3)ccc21 1802690911 DLNTWDHYIXIPMV-WXVAWEFUSA-N 493.611 5.079 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)c1 1803681709 XMXLCVMOXRJJEZ-ABQRKTDGSA-N 492.579 5.621 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)C4CCCCC4)C3)CC2)cc(C(F)(F)F)c1 1808971771 CPLFZLFQLOMDRS-UHFFFAOYSA-N 461.528 5.002 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3cccnc23)[C@@H]1c1cccnc1 1809026185 IZABLDPDEPUQPH-CUBQBAPOSA-N 498.703 5.001 30 20 JKED Cc1cccc2cc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)[nH]c12 1809754619 SOPXELMNCSBLBQ-IKKNDMBGSA-N 491.595 5.132 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1810171879 HWWGFXNQEDRVLW-FBLLAGFSSA-N 474.630 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1810181734 JXPFNHDFLYPABI-MRJKTFCFSA-N 493.607 6.069 30 20 JKED CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1)c1ccccc1 1811415476 BRONQDVDUYPKCM-MVERNJQCSA-N 487.003 5.120 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4)[C@H]3c3cccnc3)sc2c1 1811797637 YGQUJHOMQZKFJS-ZEQKJWHPSA-N 480.593 5.110 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1)C(F)(F)F 1812683296 LJJWEORDHIQRQD-URXFXBBRSA-N 495.501 5.312 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CCC)CC2)[C@H]1c1cccnc1 1812785240 OAIONTREGBBBDY-LIOHBJMPSA-N 451.655 5.462 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1812786174 GFIMUADKAININF-BCVDLGBTSA-N 493.673 5.195 30 20 JKED CC1(C)CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)[C@@H]2c2cccnc2)C1 1813128624 IRASZJLCKBMPBM-XRKRLSELSA-N 491.635 5.237 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1813225783 ATMAIUSSUSUPEI-FIBWVYCGSA-N 473.661 5.256 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1814302511 CSCOXDNQGZXWFT-WNCULLNHSA-N 491.582 5.393 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)[nH]n1 1814439930 GFVCLYLLMMJYDF-XJUOHMSHSA-N 464.610 5.207 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814938696 ZUVSWUDDPHHEFS-QPPBQGQZSA-N 455.002 5.299 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)c1 1815243648 PQIVMQYMFCMTBD-LADGPHEKSA-N 477.634 5.040 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCCCC3)n[nH]2)cc(C(F)(F)F)c1 1816708859 PTEIUADXEGRADO-FQEVSTJZSA-N 473.499 5.186 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCCn3cccc3)n[nH]2)c1 1819526376 DHLHFVQOAKRNGE-RDPSFJRHSA-N 472.593 5.015 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820100618 JBDUPASJSWEUNW-GOSISDBHSA-N 483.544 5.394 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820236859 GAAPRNYHEWJMKW-BJKOFHAPSA-N 490.579 5.095 30 20 JKED Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1821106862 IKXQLVPJPJTNKD-NRFANRHFSA-N 465.916 5.002 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1822389123 MVPGSJWXTGOFQZ-HXUWFJFHSA-N 464.953 5.433 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1822392810 FUIARIPEHBGGLK-DEOSSOPVSA-N 456.546 5.311 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(NC(C)=O)ccc2Cl)n[nH]1 1823326828 DMIQPYXNQICONE-JOCHJYFZSA-N 484.000 5.096 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1823423215 FIIDCVUGIVOCNE-MRXNPFEDSA-N 453.757 5.089 30 20 JKED Cc1snc2sc(C(=O)N3CCC([C@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)CC3)cc12 1823812759 PRLZYUQHZAPGJD-JOCHJYFZSA-N 492.670 5.014 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)C#N)CC1)c1ccc(Cl)cc1 1823883345 POPQGDVMLAQNCA-GOTSBHOMSA-N 458.046 5.249 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c1 1823939754 JFDOMAFJTXNWNZ-IQGLISFBSA-N 481.999 5.653 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1824140684 CYQRAWMKNGIDIN-RUZDIDTESA-N 475.633 5.652 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc3cccnc3cc2F)CC1 1824143943 WOXOUWNJRAMMPU-HHHXNRCGSA-N 477.624 5.305 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1824539889 DLVMCIFNRMYQKK-IFMALSPDSA-N 463.043 5.274 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)c(F)c2)CC1 1824957287 AFRLWZSXSWIROI-DEOSSOPVSA-N 499.627 5.179 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccsc3)CC2)c1Cl 1825300422 BWXUYGUAJIHTFV-VQKOGROQSA-N 468.022 5.220 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)c1 1827329292 ZKCCJISEMFTHIB-IZZNHLLZSA-N 479.690 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)CC1 1827939710 IRVQOLCLKCYYNG-VQTJNVASSA-N 465.560 5.046 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3oc4ccccc4c3C)CC2)c(C#N)c1 1828127847 NCNDVDWPVFGXPS-SANMLTNESA-N 499.611 5.098 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828320032 OKJVZCSCRMWCJZ-LAUBAEHRSA-N 475.054 5.379 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)cc12 1828577506 LJOJELVLOCITFV-AREMUKBSSA-N 472.564 5.034 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2)CC1 1830020055 CYMDIIVNTBQCPI-XMMPIXPASA-N 456.678 5.110 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(Br)c3ccccc23)CC1 1830127558 ULKFRZJJLUKCGF-QHCPKHFHSA-N 499.449 5.177 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OCc3ccccc3)c(OC)cc2C)CC1 1830731336 QSMCWBQYRUPODZ-SANMLTNESA-N 490.644 5.392 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)c(Cl)c1 1830764920 ADMQLZPZSFYKBK-AREMUKBSSA-N 494.035 5.005 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccc(Br)c2C)CC1 1830777318 FLNOYPFGWIALAZ-HXUWFJFHSA-N 497.474 5.049 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830826276 AFYRIYDRSJNMKL-HSZRJFAPSA-N 472.054 5.041 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cc(C)ccn23)CC1)c1ccccc1 1831014040 ZVPQJTJFFWKFIU-SVBPBHIXSA-N 496.655 5.073 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1831952390 CZEGSKBVZQIDEL-RUZDIDTESA-N 481.999 5.135 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1832030173 IMNWCXRGSRTVPG-NRFANRHFSA-N 467.412 5.559 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccncc3C(F)(F)F)CC2)c1 1832630775 MOBGXYFVUGEPAW-HOYKHHGWSA-N 498.549 5.275 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c[nH]c2c1 1832962248 PSCRTRZBWCBUOZ-CRAHCDMOSA-N 494.639 5.489 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)CC1 1838373493 RGOXYPJPMWVAEQ-MUUNZHRXSA-N 493.692 5.058 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)CC2)CC1 1838681178 FHVKRXKPEITMEG-QHCPKHFHSA-N 474.645 5.486 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1844201683 PLUVTSUGAMPVOC-RUZDIDTESA-N 465.597 5.487 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)c1Cl 1845348858 SJSMJYVIGSGLMR-UHFFFAOYSA-N 482.289 5.015 30 20 JKED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845546400 JEONRBLUYPYYIG-VWLOTQADSA-N 474.626 5.404 30 20 JKED O=C(C1CCC(C(F)(F)F)CC1)N1CC2(CCCN2C(=O)c2cc(F)ccc2C(F)(F)F)C1 1846887535 UMMRPDGFZPHVEX-UHFFFAOYSA-N 480.424 5.030 30 20 JKED COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(C3CC3)nc(SC)c2C#N)cs1 10711919 IHOSZICHDJFBTJ-UHFFFAOYSA-N 494.598 5.059 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc3ccccc23)cc1 11127314 AQPUYLGKEXLLCO-UHFFFAOYSA-O 466.630 5.733 30 20 JKED CCCCCCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(Cl)cc1 11410252 PLBGLUXLUYYABE-UHFFFAOYSA-N 460.028 5.843 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cl)nc2sc3c(c2c1=O)CCCC3 16715416 PVGBRWQQVUMCLI-ZDUSSCGKSA-N 460.024 5.296 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccc(Cl)cc1 18972593 GVSFTBRRGKRCPX-JOCHJYFZSA-N 499.036 5.983 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 21609716 AHVGGMVXNZNSNZ-UHFFFAOYSA-N 486.409 5.905 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 22564442 HNPPOYVYIVJBHM-RCDICMHDSA-N 492.432 5.428 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1 25837851 UZYGMGNORIXFNI-VWLOTQADSA-N 468.532 5.088 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 29827695 ZCGRDVNYHHBESH-JLCFBVMHSA-N 489.432 5.171 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 32457380 WIVYYFQDSHVKAV-RUZDIDTESA-N 485.588 5.017 30 20 JKED OC(=N\c1ncc(Cc2ccccc2)s1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 32893571 PPYLJFFUPUOAGN-QNGOZBTKSA-N 454.515 5.267 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c1 33098181 CNYYIQGCORHLKH-ICSRJNTNSA-N 461.027 5.372 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2Br)nnc1-c1ccc(Cl)cc1 39744471 HFLNSKYVLQKYIT-UHFFFAOYSA-N 481.778 5.417 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)cc1 68715612 BREOSPGOHKMZAV-UHFFFAOYSA-N 487.537 5.092 30 20 JKED O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC2(C/C1=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc12 206411081 XELLPLMALMNJRZ-UHWBUFEVSA-N 481.464 5.223 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)sc2C)cc1 255949410 KZVACJCNTZZORY-UHFFFAOYSA-N 478.624 6.000 30 20 JKED C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H](C)c2ccco2)c1 302977079 SHKGZHZALFKSSN-KRWDZBQOSA-N 488.993 5.156 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 303004606 NLTQWOWSQACAMG-UHFFFAOYSA-N 469.328 5.726 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 303356828 GJIOAAFNBVNZFL-MRXNPFEDSA-N 462.333 5.749 30 20 JKED Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)C2)cc1 486279313 HVLRHLDHSDKCBM-HSZRJFAPSA-N 498.631 5.063 30 20 JKED COc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)ccc1OC(F)F 487384223 GSPDWMQWZROSHE-UHFFFAOYSA-N 483.418 5.487 30 20 JKED N#Cc1ccsc1C(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 497990418 HCOLBUZJGNBASL-INIZCTEOSA-N 463.506 5.588 30 20 JKED C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 500456845 QEXCDVLXOQKXFX-IBGZPJMESA-N 452.601 5.229 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C#N)C1 503069930 BAWGZGLJKUEXCN-KUHUBIRLSA-N 499.036 5.268 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2cccc(C)c2)cc1 505619227 HWNUZROOXHQKRJ-HSZRJFAPSA-N 489.597 5.158 30 20 JKED C=CCn1c(SCc2cc(Cl)cc3cccnc23)nnc1[C@@H]1COc2ccccc2O1 505824478 ICTSFTSCUBYLIU-FQEVSTJZSA-N 450.951 5.471 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 508271773 DYDTUQRRSUDAEY-AREMUKBSSA-N 471.513 5.403 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@@H]2CCSc3ccc(Br)cc32)cc1 509212560 RBPHGNRWMXRUIR-LJQANCHMSA-N 474.424 5.456 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)cc1Cl 510044476 LOJZZYLQVHGJIB-QHCPKHFHSA-N 490.966 5.515 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)nnc1-c1ccc(F)cc1 510377264 KWIRBNVSBZMOBZ-VWLOTQADSA-N 484.600 5.537 30 20 JKED C[C@@H](Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1)c1ccccc1 513337246 FMFYPAMPFPWFNU-JKSUJKDBSA-N 466.632 5.737 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)nc2ccccc21 513673235 ZCUIAVVWFAIIHH-IBGZPJMESA-N 458.315 5.057 30 20 JKED COc1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 514234559 PPFQYKIYXKOVJI-UHFFFAOYSA-N 461.280 5.769 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)c2)c1 515446809 DCJQLDWKCWABJW-UHFFFAOYSA-N 472.957 5.769 30 20 JKED Cc1c(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cnn1-c1cccc(C(F)(F)F)c1 515580095 KNORXEUUEWNMRF-UHFFFAOYSA-N 489.391 5.869 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)c2C(F)(F)F)cc1 515676634 OXTRXFAUKQLFCY-UHFFFAOYSA-N 458.509 6.044 30 20 JKED COc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 516015295 GIEGDNLEPKLHJR-MRXNPFEDSA-N 463.921 5.171 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 516024862 UGKAMHWGLQXHAB-UHFFFAOYSA-N 454.313 5.254 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(COc3ccccc3)CC2)cc1Cl 516284646 NQDKWNAVESTVMN-RUZDIDTESA-N 487.987 5.252 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC(c1ccccc1)c1ccccc1 516734644 XDGWVFMXJJYISL-UHFFFAOYSA-N 461.521 5.503 30 20 JKED CC[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1OCC(=O)N1CCCC1 517473446 OEZAQEJQGPAROB-TZIWHRDSSA-N 480.634 5.212 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 517524040 ISMQSASHJCUTQY-DFBJGRDBSA-N 459.619 5.149 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)n2)cc1 518516627 PJSYBTHKMJHZGC-QHCPKHFHSA-N 477.545 6.631 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)cc1 519516598 SOHUVMOWIBBDHX-LJQANCHMSA-N 473.598 5.201 30 20 JKED C=CCN(CCc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 520130681 YUXVUBLIDLLHQA-UHFFFAOYSA-N 481.955 6.003 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 520649359 JXEJUJTZVWHKEY-KRWDZBQOSA-N 462.365 5.459 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 521267459 WYPWUTPZIISHRA-UHFFFAOYSA-N 480.568 5.436 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 521811740 SDODETQJMGRZPR-LJQANCHMSA-N 472.058 5.068 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nc2ccccc21 522519323 YJHXMEQTUHZFOC-DEOSSOPVSA-N 479.540 5.022 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCCNC(=O)c1ccc(Br)cc1 522566464 NCSAVSBJTWGCHQ-UHFFFAOYSA-N 494.414 5.022 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3Cc4ccccc4-c4ccccc4C3)c2)c1 523201576 GEAPMHRBFYIODC-UHFFFAOYSA-N 458.521 6.025 30 20 JKED CSc1nc(O)c(C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)cc1C#N 524676427 UTJZOIXOQBJOLK-LJQANCHMSA-N 476.360 5.540 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(Oc3ccccc3)nc2)cc1OC 578031505 VCQAWTFMCOJVQF-UHFFFAOYSA-N 455.352 5.500 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c(C)c2c1 590250060 RZZWPXQMFDQHCR-UHFFFAOYSA-N 452.510 5.966 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 598033283 FWNRSPAPFBVLJE-QGZVFWFLSA-N 482.009 5.221 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 603601100 NWIJZTWLJGKMHQ-UHFFFAOYSA-N 477.549 6.221 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 603734108 OUABUCXTYBYGBH-UHFFFAOYSA-N 450.408 5.378 30 20 JKED CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OCC(=O)NC 603829012 MVBYMUJNLKEZAF-ISKFKSNPSA-N 490.991 5.393 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 603968993 SRUQSNMGLHPKHE-MRXNPFEDSA-N 466.360 5.041 30 20 JKED CCCCCn1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc2c1=O 604003495 GRHOWEDVPHYNLI-UHFFFAOYSA-N 480.568 5.484 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 604004121 WTUOPFDBWVOQIU-UHFFFAOYSA-N 478.552 5.020 30 20 JKED C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 604044283 CQIDHKMZCAOTEN-HOYKHHGWSA-N 476.964 5.794 30 20 JKED C[C@H](NC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(C#N)cc1 604127201 IBJPHNZXEZYZGP-LBPRGKRZSA-N 461.362 5.323 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 604448096 LZNOKPCJHVDFRF-UHFFFAOYSA-N 492.476 5.684 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)n1 609047363 ZBIRUMXUXPGVNZ-UHFFFAOYSA-N 481.556 5.308 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)cc2Cl)c1 609062620 DLRISCIBBRRTPC-NRFANRHFSA-N 479.989 5.486 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209839 POKSARBGWMGBRN-FQEVSTJZSA-N 483.572 5.490 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 613405355 ZZJQVXMOROSHMK-NSHDSACASA-N 498.383 6.149 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1NC(=O)c1ccccc1F 618303619 NUVYOALYSZUODH-GASCZTMLSA-N 476.392 5.589 30 20 JKED O=C(Cc1csc(Cc2ccc(F)cc2)n1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620384401 MVDJOQHSZVCWJF-NHAGDIPZSA-N 468.438 5.441 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642714525 MLRUXDCOLMBXFU-UWVGGRQHSA-N 454.308 5.553 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C(F)(F)F)c1 726393099 LMMFUGXJPQUPLO-UZLBHIALSA-N 493.551 5.399 30 20 JKED CC(C)Oc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(C)C)cc2)cc1 726411932 PNJXQDVIIWXYMT-XMMPIXPASA-N 495.645 5.061 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1cccs1)c1cccs1 726421297 LZQQIFKPGMSUJN-OBESFDLISA-N 455.630 5.400 30 20 JKED Cc1ccccc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 726571576 YAJZIYKSDGQHRY-UHFFFAOYSA-O 497.043 6.722 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(OC)cc2)cc1 726572199 RHZUTLGWNNDJSX-UHFFFAOYSA-O 476.622 5.393 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 727026501 ASVSRUQPPXXPJS-CLJLJLNGSA-N 474.992 5.190 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccc(CSc4nc5ccccc5s4)cc3)CC2)nc1 727342258 ITRIZNYCQQUHEC-UHFFFAOYSA-N 485.638 5.254 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 728424857 BGQGEWVPZSBAEA-GAJHUEQPSA-N 487.560 5.122 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3cc4c(s3)CCOC4)c2C#N)C1 728645143 DVYIKNFVFIIERX-OAHLLOKOSA-N 472.632 5.091 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728778650 UCHCKRCJFZZEAB-OAQYLSRUSA-N 469.010 5.611 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1C#N 728780654 WFAPMHGOHAMNDP-HXUWFJFHSA-N 483.956 5.005 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(-c2cccnc2)no1 729552698 INYCZLKONZRLQB-XZOQPEGZSA-N 452.518 5.306 30 20 JKED CNC(=O)c1ccc(/C=C2/CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730436012 JHZUNECMYAKQDU-QINSGFPZSA-N 453.361 5.145 30 20 JKED Oc1c(Cl)cc(Cl)cc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730583011 ASBJPIQNHKWUNQ-UHFFFAOYSA-N 464.161 5.347 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 730943712 JUVHEIHJPCWKFQ-LHSJRXKWSA-N 484.503 5.220 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944057 QLIDHLXKWGUHNN-NYHFZMIOSA-N 496.539 5.090 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@@H](C)c2cccnc2)C1=O 730945822 YOPSHPFJOCVVCF-NYHFZMIOSA-N 496.539 5.090 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)o1 731069421 NLRJYSTZJQMICF-AWEZNQCLSA-N 455.561 5.210 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@H]2CCOc3ccccc32)C1=O)NC1CC1 731152997 VLBYTENLLLYJMZ-NLFFAJNJSA-N 485.609 5.006 30 20 JKED CCN(CCC#N)Cn1nc(COc2ccccc2-c2ccccc2)n(-c2ccccc2OC)c1=S 742540312 INSBNYFPSGADCS-UHFFFAOYSA-N 499.640 5.851 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c1 747602371 ZYKUIMMNXDAVCU-NRFANRHFSA-N 464.616 5.229 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 750700977 IWLSHNAUAINPHN-HXUWFJFHSA-N 464.566 5.428 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(CC(F)(F)F)C2=O)c1 799209805 FRWBKFCPAPGGKX-HXUWFJFHSA-N 487.503 5.371 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2CC(F)(F)F)cc1 799220100 GCLZJOADRFOKKG-HXUWFJFHSA-N 493.551 5.560 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2F)c1 837345163 LYHIJRRSDYVUJW-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 837388476 OOFIGMXAWMZXEV-FQEVSTJZSA-N 453.564 5.356 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cccs2)C1=O)Nc1ccccc1F 837714048 IDUFUNJDRNYLEN-LJQANCHMSA-N 473.982 5.701 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)ccc1OCC(=O)Nc1ccccc1 878901543 DVMGRXDHOQPCIU-DHDCSXOGSA-N 467.525 5.185 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2ccccc2Br)s1 912809007 GTDCCOJABXYNBL-UHFFFAOYSA-N 489.192 5.532 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913119466 ODWHICFDJUERFI-FQEVSTJZSA-N 490.988 5.198 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CCCC)C2CC2)ccc1Cl 914494140 DYQVZCNKWVDIEE-UHFFFAOYSA-N 481.445 5.779 30 20 JKED C#CCOc1ccc(Br)cc1CNC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 914795826 CPURQWAOGGJGCY-STQMWFEESA-N 458.240 5.460 30 20 JKED Cc1ccc(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)cc1NC(=O)c1ccccc1 915019847 SKYBCMHZRXKVFB-UHFFFAOYSA-N 475.932 5.004 30 20 JKED CCCCCn1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2c1=O 915086643 MCTPESSORYFFSE-RUZDIDTESA-N 450.542 5.494 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CCC)ccc1Cl 915097556 PFHIEUMOJRTFJJ-MRXNPFEDSA-N 452.979 5.121 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 915101326 HCWYKOZQLBDYLF-KXBFYZLASA-N 470.019 5.709 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc(-c2ccccc2)cs1 915101472 CAJHEICXTXAOEO-GOSISDBHSA-N 456.493 5.317 30 20 JKED CC(/C=C/C1=C(C)CCCC1(C)C)=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O 915927791 XLERBAJWZUGTJP-YMLRZUPESA-N 451.640 5.230 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3Cl)N(C3CC3)C2=O)c(OC)c1 916214582 OUMJMKGUIOOHGD-LJQANCHMSA-N 494.400 5.133 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(C3CC3)C2=O)cc1 916217248 IXCKKDFZVUOXAR-HSZRJFAPSA-N 457.555 5.165 30 20 JKED N#CCCn1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c(-c2ccccc2)n1 916277027 PGQZLIFADAUOPT-UHFFFAOYSA-N 468.373 5.200 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc2ccccc2n1 916849232 UAUBRWXQTCGVBN-SQJMNOBHSA-N 453.929 5.626 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 916905752 FENJWIPGLBGARX-OAQYLSRUSA-N 493.405 5.338 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927742 CKHQFLAIJFSIRJ-AWEZNQCLSA-N 472.191 5.337 30 20 JKED N#C[C@@H](C(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1nc(-c2ccc(Cl)cc2)cs1 916977808 ZQHAFDHBULXMAN-KRWDZBQOSA-N 479.970 5.002 30 20 JKED N#C[C@H](C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc(-c2ccccc2)cs1 917026653 KVXHIOGJPVOILA-LJQANCHMSA-N 465.987 5.918 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccccc1C 917047069 QHQVPIHMPTVLRT-INIZCTEOSA-N 468.007 5.505 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 917426933 QPTGRJGBOVLQCD-ZCVJKFOLSA-N 460.578 5.100 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC(Oc3ccc(F)cc3F)CC2)c1=S 917467598 LTXLJMZRVSSJQH-UHFFFAOYSA-N 490.551 5.097 30 20 JKED CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(-c2ccc(Cl)cc2)s1 917568155 DVVKSVBTFBRLFX-UHFFFAOYSA-N 496.061 5.577 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2cccc(C(C)C)c2)cc1 917615405 ODBGNVBFPHFLLZ-UHFFFAOYSA-O 460.623 5.754 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2Cl)n1 917676543 SQGQLNHISFGASF-NRFANRHFSA-N 482.968 5.343 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2Cc2ccc(C#N)cc2)cc1 917682232 HXCSLXOYNMLZST-VWLOTQADSA-N 497.624 5.093 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3cccc(NC(=O)c4ccc(OC)cc4)c3)cc2c1C 918156662 RWPKPNLJDOAWCG-GHXNOFRVSA-N 486.549 5.548 30 20 JKED Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)c1 918829626 KLWIZGGQMWSTPJ-UHFFFAOYSA-N 468.553 5.255 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nnc(C)n3-c3cc(C)ccc3C)n2)cc1 920142009 JLLHJYYBBNQIHY-HXUWFJFHSA-N 489.626 5.293 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3ccccn3)C2=O)cc1 920175016 FPSSYMKEOSLRGE-DEOSSOPVSA-N 470.598 5.039 30 20 JKED COc1ccc(C2(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)CCOCC2)cc1 920324619 RIUZTUOOZBMZMU-FQEVSTJZSA-N 452.963 5.397 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cc(C)on2)c1 920353853 UHWVBCLQADHQBS-DEOSSOPVSA-N 484.581 5.605 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2c(C)noc2C)c1 920353903 WGPVKVFKDGCDDS-NRFANRHFSA-N 498.992 5.114 30 20 JKED N#C[C@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920804424 QKPNTAUSMXFKBB-DENIHFKCSA-N 487.531 5.306 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 920807203 ZUHWNVKCVZFWSX-SUMWQHHRSA-N 457.527 5.021 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)cc1 920870933 VOZQAVNKAIVCML-HOYKHHGWSA-N 491.613 5.091 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2ccccc2)oc1C1CC1)c1nc(O)c2c3c(sc2n1)CCCC3 1122402430 QRLVIMWKZPBVSA-INIZCTEOSA-N 456.527 5.298 30 20 JKED C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 1524021533 QWNVWQMUCXORGZ-MCIONIFRSA-N 452.605 5.215 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)cs1 1787528469 BGTLWSZMSJQUNO-UHFFFAOYSA-N 484.503 5.404 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(OC)cc3)cc2)CCC1 1788379481 NYLATYSAIGHUOJ-RUZDIDTESA-N 499.611 5.078 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4ccc(OC)cc4[nH]3)cc2)CCC1 1788976107 SFFNTJMLCWMHGY-QHCPKHFHSA-N 457.574 5.693 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)cc3)CCC2)cc1 1788985027 ACRJHOFMQZGBCF-UHFFFAOYSA-N 470.479 5.379 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5ccc6occc6c5)cc4)CCC3)c2c1 1789049788 ZYWFOIFAGHHUSA-UHFFFAOYSA-N 475.508 5.242 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(NC(C)=O)ccc3Cl)CCC2)cc1 1789454885 ISHFXGARESPGCP-JOCHJYFZSA-N 480.008 5.815 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCCOC4=O)cc3)cc2)CCC1 1790800902 BPSXXTQOSMAXDW-VWLOTQADSA-N 487.600 5.549 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccco3)cc2)CCC1 1791909979 VFKWGRFGDRUHJJ-WMZHIEFXSA-N 495.620 5.062 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)[S@](=O)c4ccccc4)CCC3)cc2)c1 1792127275 UXFLJCKNKZGSOS-WTFAQHRJSA-N 499.636 5.258 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3OC(F)F)cc2)CCC1 1792150763 IJUHMLDRWSBXMY-UHFFFAOYSA-N 458.505 5.019 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1792220500 NHMSPMFZMRGBFK-FCHUYYIVSA-N 469.626 5.192 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1792220502 NHMSPMFZMRGBFK-VXKWHMMOSA-N 469.626 5.192 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C2 1792573282 HSOMYMIFDAXMOH-GPJHCHHRSA-N 489.701 5.044 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)c(N(C)Cc3ccccc3)c(F)c1)C2 1802631083 HHMNUEBSBWUSLE-BKFWDETESA-N 493.598 5.047 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1802733741 GNTYAISUVDLSJK-DVECYGJZSA-N 493.394 5.202 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803223312 APOJOGIPDOEQFA-KAMZKSLDSA-N 488.097 5.135 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803229488 YBGIAFPTFBDHAL-NPAAKHOSSA-N 480.052 5.374 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(OC(F)(F)F)cc2)C3)c1 1803684897 RTOQSHPSMXIRSY-QMZRJTEUSA-N 499.533 5.097 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1F)c1ccc(C(F)(F)F)cc1 1803850725 IODSZBKRVNPPMX-BJWYYQGGSA-N 488.403 5.429 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCCCC3(F)F)C2)CC1)c1ccccc1 1806204671 NKZNHOKIUYBNHN-RPWUZVMVSA-N 470.604 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808976553 OKHHFPCHCDQPCX-CLCZQPDDSA-N 453.586 5.323 30 20 JKED Cc1cccc(C)c1C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1811403417 OCRIGZSEURTXTH-RPLLCQBOSA-N 475.709 5.069 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1813226834 AOWHITVVUCIWMU-RLWLMLJZSA-N 484.625 5.062 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@H]1c1cccnc1 1813228534 XDYMOAAYSSQOED-CPJSRVTESA-N 498.454 5.320 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)[nH]n2)C1 1814397136 CYPIOFPWZXTXBQ-SFHVURJKSA-N 466.891 5.354 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)[nH]n1 1814440177 MYEKLZFWWPETIY-QGZVFWFLSA-N 464.397 5.410 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1815246066 FTUWQABYLWMRLI-FUHWJXTLSA-N 488.963 5.342 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](F)c3ccccc3)n[nH]2)cc(C(F)(F)F)c1 1815556521 FJZAZCAUCNTRCF-IFMALSPDSA-N 499.468 5.317 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc(C(F)F)c2)n[nH]1 1816082213 OODCATRGHRAIEZ-HXUWFJFHSA-N 487.627 5.099 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)noc2C)n[nH]1 1816335730 JJQWXPPCOZNMLH-NRFANRHFSA-N 475.593 5.671 30 20 JKED O=C(C#Cc1ccccc1)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1816958178 OJNGZSZZTSEZJT-HSZRJFAPSA-N 493.592 5.235 30 20 JKED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)c(C#N)c2)n[nH]1)c1ccc(Cl)cc1 1820910605 MYBQOUAXIZCURI-WAIKUNEKSA-N 493.970 5.112 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC3CCC(C)(C)CC3)n[nH]2)c1 1820979494 NOKLQVIXSVMSJY-CYFREDJKSA-N 475.637 5.949 30 20 JKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)cc1 1821223118 IDGPFFLLRIFKAG-HSZRJFAPSA-N 455.562 5.241 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)[nH]n1)c1ccc(O)cc1 1822468462 SZZVTFGCQFQKMX-LSWJPFSZSA-N 498.574 5.130 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)c(F)c2)[nH]n1 1822579855 LAUHOGUIAFMZLS-HSZRJFAPSA-N 491.542 5.249 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)cc1 1823682510 ACZFTLGDSOGJRO-SANMLTNESA-N 496.026 5.146 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cc(Br)ccc3F)CC2)C1 1823697636 SROWKVMIPVCQIC-QHCPKHFHSA-N 491.445 5.107 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1 1823811289 CHDBIPDSIHTCRX-AREMUKBSSA-N 489.685 5.130 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1823885189 HGVKDKJLEOBFJF-RUZDIDTESA-N 482.628 5.389 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1823946810 AEOJXZSEQRTNEL-VWLOTQADSA-N 494.035 5.223 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1 1824539527 NINREYGWHHBZGD-AOYPEHQESA-N 479.690 5.245 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(Cl)c2)CC1)c1ccccc1 1825938445 IINDHNHWGSRGED-JWQCQUIFSA-N 478.036 5.166 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826264063 INODJCZFLRZYSP-RPWUZVMVSA-N 489.701 5.046 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827266944 SHSFVPKKFZVYNI-SFHVURJKSA-N 481.996 5.394 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2ccccn2)CC1)c1ccccc1 1829035247 NTEYGSAABJKSCO-MHZHKKNFSA-N 485.672 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1829066635 OJCHBJULWDRXFO-XMMPIXPASA-N 477.649 5.876 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncccc3C(F)(F)F)CC2)c1 1829393223 RBQHOJXRNAFAOR-WZONZLPQSA-N 498.549 5.275 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1829672820 WGQGWFALYNLAOQ-AREMUKBSSA-N 472.564 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1830130634 PIWGMQNAPZPNTK-PKTZIBPZSA-N 474.686 5.133 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830275165 UTQBGEYYYIAKIF-DHLKQENFSA-N 480.052 5.274 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1 1830447925 UFBTYKNLIAHHOW-NDEPHWFRSA-N 496.586 5.306 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830529976 YBDCFMGJOBIXBM-IBGZPJMESA-N 496.467 5.810 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)s1 1830633876 WRUUPZOIDKVBOI-XMMPIXPASA-N 492.689 5.489 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1Br 1830686488 FYIXXRVLYGVMOP-HSZRJFAPSA-N 498.396 5.007 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(F)c(OC)c2F)CC1 1830710310 IOJDJNTWBYGRCP-FQEVSTJZSA-N 492.607 5.208 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)CC1 1830942928 ZJBVOGMKGQOPPL-ZJSXRUAMSA-N 463.622 5.178 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1831374572 QXWAMXVIDTWDCC-UZLBHIALSA-N 454.508 5.290 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(F)c2Br)CC1 1831374866 UUOKQKYCMMTGQM-DNVCBOLYSA-N 483.397 5.173 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1831443828 AUHYUJXPQHUDKB-FQEVSTJZSA-N 489.390 5.203 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1831503738 OPHCDAQBPUCXDB-QDPGVEIFSA-N 471.645 5.304 30 20 JKED CCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832704629 OSCULZHLPIXGNM-HSZRJFAPSA-N 453.627 5.015 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832719867 NDYPSIDETQLEQH-FQEVSTJZSA-N 454.920 5.006 30 20 JKED CC1(C)CC(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)CC2)C1 1838673109 HPUYGTBJTGCPAS-UHFFFAOYSA-N 498.667 5.135 30 20 JKED CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10464260 IJFDRQBWJCDETD-OAHLLOKOSA-N 492.601 5.583 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1F 11082933 GGMWEAFELIKMSL-UHFFFAOYSA-O 455.525 5.630 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1cccc2ccccc12 11125997 NHSLLNVGRDIVNG-UHFFFAOYSA-O 452.024 6.456 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1cccc(C(F)(F)F)c1 11128198 LWMDKZKQNASPNF-UHFFFAOYSA-O 474.484 5.514 30 20 JKED Cc1ccc(-n2c(SCC(=O)N(CCC#N)c3ccccc3)nnc2-c2ccccc2)cc1 11196696 BAYJHGFGOBBLQC-UHFFFAOYSA-N 453.571 5.282 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 14872515 MMZTVYBVQACBNL-UHFFFAOYSA-O 493.958 6.530 30 20 JKED C[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)Nc1sc2c(c1C#N)CCCCC2 16766171 XBRUAFLTRAEEBU-QMMMGPOBSA-N 487.796 5.010 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(F)cc1 17704909 DHIKJMJHWUCIHV-ZDUSSCGKSA-N 452.471 5.082 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 21619907 BWPXNRKLWVQJHT-UHFFFAOYSA-N 481.578 5.037 30 20 JKED C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 21644677 WJAIDLYCMUOHPB-GOSISDBHSA-N 475.549 5.153 30 20 JKED Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2SCC#N)n1Cc1ccccc1 22151872 NANIGERSDWKQGB-UHFFFAOYSA-N 475.599 5.241 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2ccc(F)cc2F)cc1 22727264 RVUHRNDPGCISJU-UHFFFAOYSA-O 455.550 5.654 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(O)c2)c1C 22732717 VNGDNFKTAXTLDJ-UHFFFAOYSA-O 471.002 5.148 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28648962 VIUOIDSMODWWKG-UHFFFAOYSA-O 496.052 6.353 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 32786958 JFNZRHVXUCQMNG-GOSISDBHSA-N 462.619 5.403 30 20 JKED N#Cc1cc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)ccc1OCC(F)(F)F 108604657 ILSAZAGQLYWGRM-UHFFFAOYSA-N 487.503 5.775 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1[C@@H]1COc2ccccc2O1 115027538 UHFGYDWDWGZTHJ-AVRDEDQJSA-N 478.618 5.528 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(O)c3c(-c4cccs4)csc3n2)nc2sccc2c1=O 255930684 NAPJFGXGRCEDJB-NSHDSACASA-N 484.653 5.936 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)N1CCCC[C@H]1C)C(C)C 302991335 WHIJOXKQQNTLOK-UTKZUKDTSA-N 463.047 5.214 30 20 JKED C=CCN(C(=O)c1cc(C)nc2onc(C)c12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 303002188 YPBOFPKBDSHHGS-UHFFFAOYSA-N 459.358 6.103 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(COc2ccccc2Br)cc1 303272537 HSRZLKDZNVLTFN-UHFFFAOYSA-N 467.388 6.286 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 500544575 MITZNCRGOVSTDV-VWLOTQADSA-N 453.586 5.248 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)s1 500753466 JHRVBYVXMDECHI-FQEVSTJZSA-N 495.626 5.068 30 20 JKED C=CCN(C(=O)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502960239 BUWKUNPNIGCUOJ-UHFFFAOYSA-N 472.397 6.077 30 20 JKED COc1cc(C2(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CCC2)ccc1C 503165055 AOTLXOSNNWOBJN-UHFFFAOYSA-N 450.589 5.080 30 20 JKED C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 503942404 CTFXRTJNSXOBDH-IBGZPJMESA-N 496.592 5.890 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)CC1 504744577 BUMNNEJDJQHZDW-UHFFFAOYSA-N 489.919 5.502 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 505523496 JHTWJJIFPWVRMV-IRLDBZIGSA-N 495.526 5.594 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 506501265 VHKCOPYWGMGDFE-UHFFFAOYSA-N 452.558 5.451 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1Cl 510023954 OTHNRCNYJHBTLY-QHCPKHFHSA-N 467.960 6.193 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCOc4c(-c5ccccc5)cccc43)CC2)c1 511017181 VUYWZVVOLQPJKQ-SANMLTNESA-N 453.542 5.302 30 20 JKED CC(C)Oc1cc(Br)ccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 511667068 NPDBTARASYEKPD-UHFFFAOYSA-N 489.420 5.504 30 20 JKED C[C@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(C(F)(F)F)cc1 512796972 LCOGJVKMOAPUIG-CYBMUJFWSA-N 462.522 5.853 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)cc1 514976841 SYESJUYAHFEFFT-UHFFFAOYSA-N 492.539 5.299 30 20 JKED CC(C)c1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1-c1ccc(F)cc1 515449620 XFMDCAKLHOXBKV-UHFFFAOYSA-N 467.504 5.511 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)CC2)cc1 515902919 HNBGJPURQKCMHW-NDEPHWFRSA-N 452.602 5.150 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)s2)cc1 515938145 XNIWLFYHQWCGAX-UHFFFAOYSA-N 462.600 5.182 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 516418457 KYTLTMYAXUQFHP-QFIPXVFZSA-N 460.921 5.010 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cc3c(s2)CCCC3)c1 516524127 ZNNIBAWDMKCVND-UHFFFAOYSA-N 461.612 5.159 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cn1 518308276 QCVJBWQSILVLOA-UHFFFAOYSA-N 497.576 5.844 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)n2)cc1 518624471 KRHZKLTYTUSCLO-HSZRJFAPSA-N 472.591 5.583 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 518683056 GXXGXCGZBPPCCF-KXBFYZLASA-N 460.397 5.306 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1Cl 518881867 WERDMRSXHWEPOT-RUZDIDTESA-N 499.014 5.829 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 519883239 PZRRGVXWCDGENJ-UHFFFAOYSA-N 467.978 5.063 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 520150460 ZDMQIZIYHNFUQH-UHFFFAOYSA-N 494.686 5.455 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 521807699 YDGNIFASHSARKP-HNNXBMFYSA-N 461.509 5.229 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2cccc(Cl)c2)c1 522401829 NNDFZNAWFFCPOI-GLYQVZKVSA-N 465.981 5.435 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)cc1 523381282 KYSVXNMRJFNDNA-UHFFFAOYSA-N 452.514 5.343 30 20 JKED CC(C)N(C)Cc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 523796440 NBZKNFKIBNJSBB-UHFFFAOYSA-N 458.581 5.450 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(CC)cs2)nnc1-c1ccc(Cl)cc1Cl 579143010 GCVGHQDEVKEGAZ-UHFFFAOYSA-N 454.408 5.188 30 20 JKED C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCc2ccc(F)cc2)cc1 590805807 ADXASDWPRDSEDX-BMGDILEWSA-N 492.435 6.238 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n2CC(C)C)cc1 597295447 AYWDNDHOMGETCY-HNNXBMFYSA-N 481.647 5.151 30 20 JKED Cc1nc(C)c(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)s1 600867072 QRHKZMDWTWSOLL-LLVKDONJSA-N 459.622 5.131 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)s2)cc1 603819325 CPWQGGBCSZVEPY-UHFFFAOYSA-N 453.530 5.077 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)o1 603835737 UWSBERRIHOPEJM-UHFFFAOYSA-N 466.519 5.265 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603921039 LFQBYKGYOHFLIG-UHFFFAOYSA-N 467.525 5.768 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)s2)cc1 608934279 WBNHFBPMWVTROY-NHTMILBNSA-N 470.598 5.018 30 20 JKED COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)cc2)cc1 619114247 FZEFFNDWLADPNS-UHFFFAOYSA-N 458.543 5.066 30 20 JKED O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 622566691 VJHHKBKVXCMRCC-INIZCTEOSA-N 483.815 5.371 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)c1 725995061 VOIKCJWMIIOVEU-UHFFFAOYSA-N 487.503 5.549 30 20 JKED O=C(C[C@H]1S/C(=N\CCc2ccccn2)N(C2CCCC2)C1=O)Nc1cccc2ccccc12 726115044 ULKJCUQQQQIPAR-MLNTVTBVSA-N 472.614 5.049 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)c(F)c1 726409408 AIZADWWJQRGHFI-JOCHJYFZSA-N 463.534 5.134 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC2CCC2)cc1Cl 726410171 YAFOVIPRHXJQAV-HXUWFJFHSA-N 470.957 5.111 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(C2CCCC2)C1=O 726417124 YKIQSZABEAFHBU-QKGJTZJBSA-N 485.631 5.087 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccs1)c1cccs1 726419583 IXGJJADMVBYAPY-ZPGIOUQYSA-N 473.620 5.539 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccsc3)C2=O)c1 726420122 HHILSGPRLKABPN-QGBHTJAESA-N 485.656 5.408 30 20 JKED COc1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1NC(C)=O 726428480 MOOCKPQHVBDMRP-UXBLZVDNSA-N 483.351 6.109 30 20 JKED C#Cc1cccc(NC(=S)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)c1 726473976 BMUPSMKVEPCYIA-UHFFFAOYSA-N 459.571 5.527 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc(Br)c1O 726626592 IKZZFUVKDWVHEN-UUASQNMZSA-N 481.780 5.094 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1cccs1)c1cccs1 728430171 OLIUQYOXFSAKFS-GAVKIAHZSA-N 480.640 5.271 30 20 JKED CN(Cc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)OC(C)(C)C 728519197 YBPFNRKIPSCUHH-UHFFFAOYSA-N 457.530 5.970 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(F)cc1 728776403 BNRBRCFWJTUMTG-IBGZPJMESA-N 493.391 5.787 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 729556642 ZKHFXZYANVRUAX-NZQKXSOJSA-N 491.592 5.389 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 729564565 DOWHLZNBPZKAKW-SQJMNOBHSA-N 490.604 5.994 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CCC3)C2=O)cc1 730459040 FMZAVCIKVIEUNP-IBGZPJMESA-N 472.492 5.090 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F 730473868 LTBMJVHGKDNKCR-RYUDHWBXSA-N 472.401 5.812 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cocn3)C2=O)c1 730712463 MGZFXRSQZXMRLZ-HSZRJFAPSA-N 476.602 5.575 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCSc1ccc(Br)cc1 731136359 PQCYCESYAUAPOS-HXUWFJFHSA-N 473.436 5.794 30 20 JKED COc1cc(/C=C\C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1OCc1c(C)noc1C 731198960 RMCXYSMPCFBKBQ-QKASYZLMSA-N 473.573 5.571 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc3[nH]c(C)c(C)c3c2)c1 743515158 YQUMHSJAJQLZAG-HSZRJFAPSA-N 478.593 5.033 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744936618 UYAJPXAHQXCGHC-GFCCVEGCSA-N 494.787 6.049 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(CSc2nc3ccccc3s2)n(C)c1=S 745162806 YOKYCOFKUBQGIP-UHFFFAOYSA-N 478.672 5.370 30 20 JKED CCOC(=O)Nc1nc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2s1 746850594 QMRFOXIIGYZAJX-UHFFFAOYSA-N 488.594 6.281 30 20 JKED C[C@@H](OC(=O)c1cnc(-c2ccccc2Cl)s1)C(=O)Nc1sc2c(c1C#N)CCC2 747953359 TVJYMHQRPPCQRX-LLVKDONJSA-N 457.964 5.069 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3NC(=O)c3ccsc3)s2)cc1 790037810 NOEGHCDIXVDWMY-UHFFFAOYSA-N 477.596 5.268 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)c(Cl)c1 799213980 CARFHPQSSLRNAM-GOSISDBHSA-N 464.349 5.034 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C 828802796 PACLRYIYMJWWOT-JLPGSUDCSA-N 474.582 5.062 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)CCc1ccco1 838481056 HEPUTXWPTDXOOY-MBSDFSHPSA-N 477.586 5.270 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccccc1OC 838487000 OJCFCSLINOCKCZ-SFHVURJKSA-N 496.803 5.249 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 838531385 NKIBHADAWPCSFE-RUZDIDTESA-N 496.592 5.404 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(OC)nc3)no2)nnc1-c1ccc(Cl)cc1Cl 904531289 RDQSRXFLCNICAE-UHFFFAOYSA-N 475.361 5.184 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1ccccc1-c1nc2ccccc2s1 914776890 YAPCIAXRZPESTE-UHFFFAOYSA-N 453.527 5.033 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915863090 SQKCEUDWTPISTH-AREMUKBSSA-N 454.961 5.979 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 916057100 KYACAKJCWBJGPH-JOCHJYFZSA-N 499.995 5.416 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc2ccccc12 916217987 ZGRIQLLNGNBRIW-DEOSSOPVSA-N 491.613 5.235 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cs1 916306473 LTIRULCFTYMLDU-UHFFFAOYSA-N 468.995 5.219 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(COc2cccc(Br)c2)o1 916884272 VRMRIWFECKWZMX-SFHVURJKSA-N 473.710 5.236 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2)cs1 916937394 DIQLWAIZIDNAIY-QGZVFWFLSA-N 459.955 5.498 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 916956116 XUMYMAAEMCJRNK-TWOQFEAHSA-N 490.629 5.315 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)SCC(=O)Nc3ccc(F)cc3)n2)cc1 916974774 PWWOJWZHVUYWCM-DNVCBOLYSA-N 453.564 5.194 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cs1 917564148 YBVHGBZTEMLQRY-SFQUDFHCSA-N 454.551 6.825 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C\c2csc(-c3cccc(Br)c3)n2)SC1=S 917644450 DKAJHMLDQQVBOD-RQZCQDPDSA-N 484.425 5.850 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 917665386 XTWNHJOMMBCGNJ-QFIPXVFZSA-N 474.542 5.064 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C(C)C)cc2)n1 917666087 SNUMVJCMJPEZEM-DEOSSOPVSA-N 490.604 5.813 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)c1 917676113 CJYUJRLJBTVHHN-RUZDIDTESA-N 490.673 5.138 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccccc2COC(C)C)C1=O 917709480 OBWHRWXEVAJJAI-HSZRJFAPSA-N 467.635 5.003 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 918444317 PUORNKXWAFVZIQ-QFIPXVFZSA-N 468.944 5.000 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)SC1=S 918782960 PVWBDVUVSHAEAY-RQZCQDPDSA-N 473.526 6.106 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCSc2ncnc3sc(C)c(C)c23)cc1 920111108 JHMGKFVZGXINOD-IFXJQAMLSA-N 466.632 5.651 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)cc1 920143027 CTAKYRZNRBZWFQ-SFHVURJKSA-N 468.460 5.513 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3F)n2)n(C2CCCCC2)c1C 920728895 COPDMXXKWBFXSE-UHFFFAOYSA-N 480.565 5.540 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 920743445 DCHUDMCNDBVXJJ-OXQOHEQNSA-N 471.513 5.215 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(c3ccc(Cl)cc3)CCCCC1)C2 1781744403 DUPXERBEKRKICE-YEEURNOCSA-N 487.084 5.268 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccc(F)cc4)cc3)CCC2)c1 1786031502 MVIFJFOOJDNKAK-FTJBHMTQSA-N 483.543 5.257 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccnn4-c4ccccc4)CCC3)cc2)c1 1786040675 HNQMMWWUOUOBPZ-UHFFFAOYSA-N 489.579 5.124 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCCC4(F)F)cc3)CCC2)c(C#N)c1 1786465962 ZAYOVEWOLLMPTP-QHCPKHFHSA-N 481.543 5.069 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(F)c3)CCC2)cc1 1786546606 MBXSEGLVNMZFBO-QFIPXVFZSA-N 481.568 5.043 30 20 JKED O=C(/C=C\c1c[nH]c2ccccc12)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1786779370 HAGRHVHDUAFHJU-AXNLVGEMSA-N 466.541 5.027 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Cl)ccn34)cc2)CCC1 1788383968 LCIYJXIBVFLKFK-UHFFFAOYSA-N 464.997 5.728 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ncccc3-c3ccccc3)cc2)CCC1 1788800495 GRSZWZLGTACQDK-FQEVSTJZSA-N 455.558 5.087 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cn5ccc(Cl)cc5n4)cc3)CCC2)cc1 1789099587 NKKVFFGEDSHZDM-UHFFFAOYSA-N 497.986 5.240 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)c(C)n1C 1789508024 CCYRKWGWCBMCJN-UHFFFAOYSA-N 463.698 5.441 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)cc3)CCC2)c1 1789531435 DWNDEGCDMDRGGH-CCDWMCETSA-N 465.578 5.194 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccsc4)CCC3)cc2)c1 1790074002 MEGMDHKZKOAIEA-FPYGCLRLSA-N 457.555 5.089 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cn4cnc5ccccc54)CCC3)cc2)c1Cl 1790083038 XGQHWLLEXFBQDL-UHFFFAOYSA-N 483.959 5.009 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)CCC1 1790131419 JAOOOOUQLOXAFS-UHFFFAOYSA-N 493.007 5.461 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)c1 1790859973 SQLKZQNWPZWEIY-UHFFFAOYSA-N 460.537 5.476 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(C(F)(F)F)cc4n3)CCC2)cc1 1791253737 GVPMWURVKCPUBS-MRXNPFEDSA-N 470.495 5.313 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)CCC2)cc1 1791588834 ZYIORDYUXGFEFO-XMMPIXPASA-N 477.605 5.271 30 20 JKED CC1(C)CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)C1 1791648765 ZGYNEXGDROIZIR-UHFFFAOYSA-N 470.495 5.156 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C5CC5)on4)CCC3)cc2)c1 1792123359 VZTAMIBZCDHKNH-QGZVFWFLSA-N 454.530 5.241 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)c1 1792123686 BHAZVPCQUXNXNY-DNOBIOAJSA-N 463.528 5.807 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)cc1 1792482301 XNJHSWVEXVIYQQ-BKFWDETESA-N 492.579 5.184 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc(C#N)c1)c1ccc(Cl)cc1 1792936592 GGFUHMIQRQXABH-SFIUMABJSA-N 478.036 5.222 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(F)CCCCC1(F)F)c1ccc(F)cc1C(F)(F)F 1797806468 BMPVQANHFPSPCP-YYQBIWNASA-N 480.424 5.014 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)cc1F)c1ccccc1 1800771391 CAUWMJDBDBTYKH-AANQFLQQSA-N 476.592 5.062 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1802503795 UFRXAMDULBDSBO-WZONZLPQSA-N 497.064 5.657 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1803084119 NHZVNDOFHNOPJF-WIOPSUGQSA-N 457.574 5.224 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C3)cc1C#N 1803839124 KCKYVEPXWOYWBV-QERLCLQCSA-N 492.019 5.054 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@@H](CNC(=O)CCC#N)[C@H]3c3cccnc3)cc2)cc1 1806868374 OKFLGJONFCPMQN-MFMCTBQISA-N 494.639 5.715 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[C@@H]1c1cccnc1 1807914562 FKKCKWMEPUFZSX-IDOVBLGQSA-N 493.611 5.157 30 20 JKED N#CCC(=O)N1CCCC2(CCN(C(=O)c3ccc(F)c(F)c3CSc3ccccc3)CC2)C1 1809020734 MWISCVXJWXYLNW-UHFFFAOYSA-N 483.584 5.016 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)c4cccnc4-c4cccc(C)c4)C3)CC2)c1 1810360189 GJZCKCAKAMOYHT-UHFFFAOYSA-N 492.623 5.396 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1810772740 JRVKFXLDVVETRZ-URXFXBBRSA-N 496.449 5.241 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(F)c3Cl)[C@@H]2c2cccnc2)c1 1811119877 VMYSSZKUGBJLNV-SAQVGAHLSA-N 490.966 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3cnco3)c2)[C@@H]1c1cccnc1 1811382417 NUIUMETVZRWZGD-NOZRDPDXSA-N 472.589 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1811695993 AIZGYTCGIDPYIM-UTKZUKDTSA-N 490.431 5.406 30 20 JKED O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1812522494 NMIDXWFNBHEBKV-WNCULLNHSA-N 490.047 5.056 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@@H]1c1cccnc1 1812955810 DQVHZSSTZJPJPK-GWJPWWOOSA-N 486.443 5.338 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814413877 MGPVUCISDCGCCO-OMSKPKMWSA-N 473.602 5.508 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)[nH]n1 1815208444 APCWKQTYDSGSSB-LJQANCHMSA-N 465.381 5.005 30 20 JKED O=C(CC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1817104445 FTVLRGFLXCTWMM-JOCHJYFZSA-N 480.490 5.068 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213956 RVAHTMDSPRLJMV-LAUBAEHRSA-N 491.558 5.885 30 20 JKED Cn1ccc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)c21 1818725088 CQUSKOKEBUEHQQ-NRFANRHFSA-N 486.963 5.046 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)cc1 1819029359 NNWYVFDUWGTHBX-SFHVURJKSA-N 475.599 5.372 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)cc1 1819029605 XNWARKNRALWCHI-QGZVFWFLSA-N 461.572 5.177 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386284 GTRBNQXZWPRTFD-PZJWPPBQSA-N 497.741 5.029 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819386336 JJFSXASCMXMRHG-RDPSFJRHSA-N 489.696 5.394 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)no2)n[nH]1 1819795516 HKVQNRYYXNCJGE-OAQYLSRUSA-N 461.566 5.363 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820088449 RWIGZABQKNFMGS-JOCHJYFZSA-N 484.560 5.046 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c(F)c1 1821027356 ZBCPKYIKEHWUNN-OAQYLSRUSA-N 465.916 5.002 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)n[nH]1 1821269799 ITZBRDVKQOYROB-INIZCTEOSA-N 496.440 5.108 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(C)(C)C#N)[nH]n2)cc1Cl 1821339413 IZICWEGJWGQFBT-SFHVURJKSA-N 492.407 5.359 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1822581099 JIHUAEMJGZSAPR-XMMPIXPASA-N 470.573 5.702 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)[nH]n2)c1 1823216763 BARYVPPXAKBKDT-FYSMJZIKSA-N 484.535 5.277 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823293539 CDMNOBLNQOVNJK-QFIPXVFZSA-N 489.551 5.136 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)n[nH]2)cc1 1823391838 KAOJDYPVFOTROV-YFVAEKQCSA-N 487.526 5.150 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1823686043 NJKNNBTUYARAEQ-DEOSSOPVSA-N 499.989 5.356 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1824051934 YOJLCXNBRWKCQI-SANMLTNESA-N 496.026 5.146 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824248357 UWTQWBVLJDMOBE-AMDXRBSFSA-N 475.073 5.290 30 20 JKED CC[C@H](C)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1824348953 UKYSYFYXWWTZAT-RDPSFJRHSA-N 453.627 5.015 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](F)c2ccccc2)CC1 1824858252 PYQBZZOIEMQYMK-RSXGOPAZSA-N 470.705 5.368 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2nc(C)sc2C)CC1)c1ccccc1 1825309210 ZXBBFQNBELPLFJ-BDYUSTAISA-N 491.701 5.119 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC[C@@H]3CNc4ccccc4C3)CC2)cc1 1826950314 DJVJGYQVDJRPIP-OUTSHDOLSA-N 498.671 5.051 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828152163 AAZMQRFFLHSCBP-BWKNWUBXSA-N 468.041 5.823 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1828776749 AQNQKFLRZBHIAZ-GCJKJVERSA-N 467.660 5.034 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(=O)OCC)c2F)CC1 1828826527 GLEJZODUQBVSNW-URXFXBBRSA-N 484.612 5.004 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)CC1 1828828105 CXZIHWSFQZBNMQ-CJFMBICVSA-N 469.576 5.448 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1828829721 GSFVDMMIEQWAQH-KNQAVFIVSA-N 469.029 5.218 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)CC1 1828933190 PXBMMXISZNCNSA-LFBFJMOVSA-N 466.691 5.486 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nn(CC)c3ccccc23)CC1 1829067806 XXZOYUASIIYEHF-QHCPKHFHSA-N 464.654 5.282 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573681 JMDATPYWBBTTDO-AHWVRZQESA-N 499.655 6.430 30 20 JKED Cc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)CC1 1830687334 UBLAXKNXXNGPLS-XMMPIXPASA-N 494.433 5.176 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1830784918 WKLXHURPRMCKLH-JTSKRJEESA-N 482.452 5.336 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc2c[nH]nc12 1830873820 LMGLBRWDXQFASE-RXFWQSSRSA-N 483.616 5.046 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831019036 KDZYLNHBBTVXEI-HOYKHHGWSA-N 454.014 5.334 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](c3ccccc3)N(C)Cc3ccccc3)CC2)C1 1831207828 FDKJZSBCALOAKA-XZWHSSHBSA-N 499.699 5.446 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1831374844 IQDOUSMZEYUTIC-CJFMBICVSA-N 467.654 5.179 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F 1831450213 IKLBFNKGFVBPSJ-IBDYFIJFSA-N 488.472 5.457 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1)C(F)(F)F 1831454152 ZYIDYKXZFZBDPR-HXUWFJFHSA-N 468.947 5.110 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1831852477 MOPBVERQIXGHLE-HHHXNRCGSA-N 458.602 5.516 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831969885 CJHBMEIOMUAMKD-NEQMZLFVSA-N 491.495 5.001 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1832030227 IRPLMDLFDXKNAX-AREMUKBSSA-N 480.052 5.624 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1832627456 DREQLLSBUVDNQK-LVXARBLLSA-N 486.660 5.553 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1832631749 HMTFXLZGTDDMFD-SBUREZEXSA-N 499.442 5.563 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1 1832634418 RCVLQDKYSGQQTQ-LYZGTLIUSA-N 469.629 5.738 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635073 SRAVIYFLRPQXCX-RXFWQSSRSA-N 489.660 6.060 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1C#N 1832704795 VGLAKGDGGMUENK-VWLOTQADSA-N 495.570 5.171 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(OC2CCN(C(=O)c3cccs3)CC2)CC1 1837398670 DQXANLIONNJXSJ-UHFFFAOYSA-N 498.648 5.074 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3sccc3Cl)CC2)CC1 1838390939 YWSCAFHRWQSEMO-UHFFFAOYSA-N 495.161 5.065 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1 9446954 HLECPMFXFDQOHI-OAHLLOKOSA-N 492.586 5.282 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(CC)CC)cc2)c1 10174670 OBTLRQCEQUAZKA-UHFFFAOYSA-O 467.605 6.769 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(N(C)C)cc2)c1 10179243 FIXAQNQBWWIEDE-UHFFFAOYSA-O 473.449 6.015 30 20 JKED C=CCn1c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)nnc1-c1ccc(F)cc1 10498099 IWMUEZUJQLYBNT-UHFFFAOYSA-N 472.589 5.610 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1 10498115 LKDMIKGCSLRNGI-UHFFFAOYSA-N 465.381 5.328 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccccc2F)cc1 11170533 PUWMAVVVGXNLPP-UHFFFAOYSA-O 452.619 6.023 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccoc1C 14063945 JRIZNVLVAGMJJU-UHFFFAOYSA-N 457.770 5.724 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 14872570 HYASVMUIDVEQNW-UHFFFAOYSA-O 473.540 6.157 30 20 JKED N#CCCN(C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1cccc(Cl)c1 15187103 CSFOVOXJSQGWED-UHFFFAOYSA-N 459.889 5.252 30 20 JKED C=CCc1cc(C(=O)O[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1OC 16171364 SLSBCUXDRBHAKE-NSHDSACASA-N 472.752 5.577 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)n(Cc2ccccc2)c1C 16211602 JTIORXXJCANBDO-UHFFFAOYSA-N 491.547 5.051 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nnc1[C@H]1COc2ccccc2O1 21668072 JIHLARBVJRFDDG-VGOFRKELSA-N 464.591 5.219 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(C(C)(C)C)cc1 22686003 JCRZVKGKJVNEIS-UHFFFAOYSA-O 455.550 5.609 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NC[C@@H]2CCCO2)cc1 22691857 XLURUEMOKABNPS-DEOSSOPVSA-O 453.672 5.709 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)cc1 22731269 SFRLTAYZUBSQRL-UHFFFAOYSA-O 457.619 5.401 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc3c(c2)CCCC3)cc1 22732046 IEVMDMHSTSXPRO-UHFFFAOYSA-O 459.635 5.865 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)[nH]c1C)=C(/S)Nc1ccc(SC(F)F)cc1 23602898 IJFVQQGUYDNCHB-UHFFFAOYSA-O 460.595 5.847 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 23603946 SMBGJIRZGFKQQP-UHFFFAOYSA-O 458.554 5.524 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 23604266 YBVKCUUREROUQB-IBGZPJMESA-N 475.643 5.145 30 20 JKED C[C@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccccc1-c1ccccc1 24345944 HZBCKTQCSICGEU-SFHVURJKSA-N 493.592 5.574 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2sc3c(c2c1=O)CCC3 28424678 UWJWMIVOAPHWIL-UHFFFAOYSA-N 481.687 6.110 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 106298497 KEGKZAAVSPGDEK-UHFFFAOYSA-N 456.527 5.470 30 20 JKED O=C(Nc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1)c1ccccc1F 107864243 FGVKPARFXWMCGX-QWHCGFSZSA-N 476.392 6.404 30 20 JKED C=C(Br)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 213825866 PNVFTHMBJGDBBM-WOJGMQOQSA-N 495.345 5.682 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCCc3ccc(Br)s3)s2)cc1 302813183 LBIHLSKFRKENSQ-UHFFFAOYSA-N 479.450 5.487 30 20 JKED C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 303140134 KLCPITHNUPGUSD-KRWDZBQOSA-N 454.448 5.756 30 20 JKED CC(=O)Nc1ccc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 303212163 PCEFFWIHWGQRHQ-UHFFFAOYSA-N 462.937 5.113 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)c1 409836527 ODIBURUHHNTSCW-QHCPKHFHSA-N 483.337 6.030 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)cc2F)c1 481680739 BFTRTQOVCOEYNU-QFIPXVFZSA-N 459.477 5.374 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1 490651899 ULQDOGZONYGERX-UHFFFAOYSA-N 488.547 5.811 30 20 JKED O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 498778372 IJBDMQBCMPXVRR-UHFFFAOYSA-N 477.279 5.562 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2-c2ccc(Cl)cc2)cc1 499336939 HXEYWYPSHVTWTI-UHFFFAOYSA-N 489.988 5.393 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)n1Cc1ccco1 499422966 NAQRYMYJAGCTGM-UHFFFAOYSA-N 476.627 5.904 30 20 JKED CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)NCc1cccc(C#N)c1 500166713 AQARGMYWKQZZTC-UHFFFAOYSA-N 469.976 5.465 30 20 JKED CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500610376 QNCJDWNSWCDCAI-LJAQVGFWSA-N 491.595 5.007 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 501144112 QFQNRNOFHNGSTL-QHCPKHFHSA-N 473.523 5.231 30 20 JKED C[C@@H]1CN(Cc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)C[C@@H](C)O1 501483029 VUODFGPPJWTIJY-FGZHOGPDSA-N 469.585 5.193 30 20 JKED N#Cc1cn(CC(=O)Nc2ccccc2Oc2ccccc2)c2ccc(Br)cc2c1=O 502818836 YPZLLMOJIVAHIO-UHFFFAOYSA-N 474.314 5.067 30 20 JKED O=C(Nc1cc(F)ccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503137511 DSEYFTLPDRYUOU-UHFFFAOYSA-N 470.707 5.489 30 20 JKED COc1cc(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1OCC(F)(F)F 504367300 CFPJZDVKVBGSMC-UHFFFAOYSA-N 452.498 5.410 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)nnc1-c1cccc(C)c1 505715424 XDZZLDCVCSMZDA-UHFFFAOYSA-N 499.596 5.677 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 507886584 HYZPVLXQSAHMTN-UHFFFAOYSA-N 461.468 5.120 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)c3cccc(OCc4ccccc4C#N)c3)cn2)c1 508439867 UJVQIQOVZVRJSY-UHFFFAOYSA-N 465.509 5.263 30 20 JKED COc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1OC 510004206 DKQXZXWRNNTPBO-HXUWFJFHSA-N 465.937 5.343 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc(OC)c1OC 511416452 SMRHCOQMIHTGOW-SFHVURJKSA-N 475.545 5.240 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(I)c(F)c3)n2)cc1 511752518 DBPINVSBAKVILL-AWEZNQCLSA-N 462.287 5.352 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 511846542 UWWIUEXWNKVNBU-NIYFSFCBSA-N 453.542 5.289 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nc2ccccc2s1 513676242 BCZMQFUEZXPKBW-INIZCTEOSA-N 453.317 5.721 30 20 JKED C=CCn1c(SCc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)nnc1-c1ccccc1OC 514723214 OSWGRFOVHCILBW-AWEZNQCLSA-N 478.647 5.144 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 515487753 QSFQDQBQOPAFCO-YADHBBJMSA-N 481.625 5.982 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-])c1ccccn1 516710798 TYHGQOJGIPCKPX-ZBFHGGJFSA-N 476.443 5.398 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1cccc(C(=O)Nc2ccccc2)c1 517451786 VKTXRGMYVAQHCC-LJQANCHMSA-N 475.639 6.063 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 517461181 BYGNQBWISVIAAD-UHFFFAOYSA-N 465.884 6.201 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518255586 FVQJMAHLBXHAHR-UHFFFAOYSA-N 487.947 6.498 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OCC 518516793 YTFYGKGNIYYAAC-SFHVURJKSA-N 470.978 6.150 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2sc(C)c(C)c2c1=O 518652758 BENJHYQYCZRTLJ-ZDUSSCGKSA-N 472.661 5.220 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 519876423 FWIUFHIZWSTAGQ-YTMVLYRLSA-N 463.581 5.253 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1C 520456039 ARORHAYHEDZKSQ-UHFFFAOYSA-N 461.529 5.043 30 20 JKED Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2Cl)n1 520957982 QMTABNFOKYBJIC-MHECFPHRSA-N 493.995 5.267 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 521263497 IIHJJQJRHBMFNS-OAHLLOKOSA-N 469.513 6.073 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)c(C)c2)n1 521784230 CNTNASXZXHAZGL-UHFFFAOYSA-N 463.632 5.527 30 20 JKED C=CCN(C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 521797952 VYFZJZKJMBTWRN-JTSKRJEESA-N 472.515 5.337 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)cc1 522366286 HSNNLMUGIPAWNE-VSDWSMLSSA-N 480.996 5.060 30 20 JKED N#C[C@@H](C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 522489424 WDCVHQYDMISPTK-XYUGOERHSA-N 498.534 5.095 30 20 JKED CCOc1ccccc1-c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)o1 589944823 XJJFQVONQMLWAL-CQSZACIVSA-N 468.604 5.314 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)n2)cc1 603564331 DFUHFGCMPAZJAN-LJQANCHMSA-N 471.369 5.232 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 603738877 FGOQNQNXGKXNQC-QFIPXVFZSA-N 495.366 5.604 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2cccs2)cc1 603801779 MMHAZIURESRIFG-CLOONOSVSA-N 459.619 5.149 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1Cl 603829019 OWFSSJVVVDYQCY-KNQAVFIVSA-N 470.960 6.548 30 20 JKED CCOC(=O)c1sc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)c(C#N)c1C 603947261 OZDNCXXDYALIPV-UHFFFAOYSA-N 487.990 5.633 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)o1 603950506 LTVHJTFSVBWROL-UHFFFAOYSA-N 452.392 5.187 30 20 JKED CC[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1OCC(=O)N1CCCC1 603982286 DFGCKBBNZUZMHL-MHZLTWQESA-N 497.595 5.020 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c2)c1 604006973 GZGGKVQAMMXVCK-AREMUKBSSA-N 483.568 5.074 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3ccc(CNC(=O)C45CC6CC(CC(C6)C4)C5)cc3)n2)cc1 604513954 BWJBAVYQGVBLEJ-UHFFFAOYSA-N 496.636 5.767 30 20 JKED COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OCc1ccncc1 608918438 LFDAEWVLAIADDN-HXUWFJFHSA-N 458.562 5.222 30 20 JKED Cc1sc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)nc1-c1cccc([N+](=O)[O-])c1 609058288 JIUMHJWBGKLESR-UHFFFAOYSA-N 460.471 5.323 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 609078501 UZLYRQIONVQSBV-RUZDIDTESA-N 485.975 5.744 30 20 JKED COc1cccc(N2CC[C@H](NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 609115465 HYAGRZBBVZEDFY-GBXCKJPGSA-N 460.965 5.404 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609177210 LVJRNABZWCHYBU-UHFFFAOYSA-N 491.473 5.748 30 20 JKED Cn1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(-c2ccccc2Cl)n1 609408176 SFEOMFNHPLENLJ-UHFFFAOYSA-N 455.905 5.117 30 20 JKED Cc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 619349847 BXYXAEZGXZZTGY-QWRGUYRKSA-N 452.317 5.531 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1)c1ccccc1 623360183 BYCDCKOZQQRVJV-UHFFFAOYSA-N 471.586 5.039 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)NC1CCCCC1)C(C)C 639394378 LYRCMZLTXIMYFR-OAQYLSRUSA-N 463.047 5.262 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1cscn1 642281206 OGZASKUEJFMLGT-LJQANCHMSA-N 461.568 5.653 30 20 JKED O=C(Nc1ccc(Br)cc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642396639 SDTZYWOKIAZGFU-MBTKJCJQSA-N 451.180 5.619 30 20 JKED COCCOC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 726076904 HGMPXQARYHPJSK-UHFFFAOYSA-N 476.508 5.127 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cc(OC)ccc1OC 726398940 VZHIFXIQBFTGNG-HSZRJFAPSA-N 475.570 5.003 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(F)(F)F)C2=O)c1 726415042 HFZAMSAXTBPQJX-FQEVSTJZSA-N 493.551 5.613 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1cccs1)c1cccs1 726415737 KVFKEOGFFLKKOS-ACDYFQRRSA-N 469.657 5.077 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@@H](C)c3cccnc3)C2=O)cc1 726418737 FJBMVIXFRVSWIK-XLJKYJRHSA-N 478.643 5.603 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S/C2=N\[C@@H](C)c2cccs2)n1 726422185 VJCGFKSVOTVSIJ-BOMGHSENSA-N 494.642 5.050 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(Cl)c2)cc1 726571111 DSZULPBYJKLKAM-UHFFFAOYSA-O 483.444 6.773 30 20 JKED COc1ccc(/C=C2\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1OCCCC#N 726626796 GBVBXICXYZARJK-MOSHPQCFSA-N 492.544 5.798 30 20 JKED CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 727802597 HUQAFBGYZJAYCG-UHFFFAOYSA-N 477.521 5.008 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2c(C)cccc2C)n1 728420692 HVCOCKNDZZVYPY-QHCPKHFHSA-N 483.597 5.039 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 728423982 ZMHXCIGLYAUOOK-MHECFPHRSA-N 499.596 5.073 30 20 JKED CN(C)c1ccc([C@@H](CNC(=O)CSc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 728458290 IGOASKIZDKJKLC-XMMPIXPASA-N 454.599 5.146 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728776271 ATQNHAQEBRHYPV-HXUWFJFHSA-N 499.980 5.211 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 729144097 BEPUHJGCOSEWER-GOSISDBHSA-N 488.997 5.405 30 20 JKED Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2occc2COc2cccc(C#N)c2)cc1 729217391 OFFHQXPWCFBCHS-UHFFFAOYSA-N 458.495 5.572 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(C2CCC2)C1=O)Nc1ccccc1F 730462106 WJUZNWTZOYRCMF-GOSISDBHSA-N 481.471 5.237 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cocn3)C2=O)cc1 730716695 YHCMZRWXXSXUBQ-QHCPKHFHSA-N 492.601 5.241 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2cocn2)C1=O 730730502 WGMFXOLDIUNPPE-SJKFXQMXSA-N 489.022 5.288 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 731061548 DRSJOIOJSJFAHC-LJQANCHMSA-N 472.566 5.273 30 20 JKED COc1cc(C2(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)CCCC2)ccc1C 731084297 FUFWPMFBDGECJP-GOSISDBHSA-N 466.603 5.249 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)nc1C 731225218 SGJKNEINTYJZSA-UHFFFAOYSA-N 481.603 5.013 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccs2)C1=O)Nc1cccc(O)c1 731305761 OZTSLRPXKJZQDC-IBGZPJMESA-N 471.991 5.268 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731400481 PFLTWFGSMMVHLB-LJQANCHMSA-N 450.539 5.119 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 743294474 KMZIGJNMXDFBNZ-FTJBHMTQSA-N 488.632 5.985 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1F 743523933 FNWVVZFAVCMWNZ-IBGZPJMESA-N 497.514 5.150 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O)Nc1cccc2ccccc12 747598500 BRKJLOZNUIUUCB-QFIPXVFZSA-N 490.585 5.596 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C(=C/c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)c1 749147158 CSAORBLRQVOZFR-YZSQISJMSA-N 487.962 5.769 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N([C@H](C)c2ccccn2)C1=O 837447700 ABHRCNOHKAIOGH-DVECYGJZSA-N 488.613 5.429 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3ccccn3)C2=O)c1 837738650 XKEWWAFRPCVCLK-FDDCHVKYSA-N 493.032 6.073 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1OC 838510570 QKFPYSIZOUZMTE-XMMPIXPASA-N 491.613 5.235 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1CCc1cccs1 840174580 QHZJBMVHYXAXOP-XMMPIXPASA-N 456.571 5.150 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NCc2ccc(Cl)c3cccnc23)cc1 864000827 FSCWEZIAZTUWCK-HPNDGRJYSA-N 456.999 5.093 30 20 JKED CCN(C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)[C@@H](C)c1ccc(C#N)cc1 914509562 QEALLRGQAUOSAV-FQEVSTJZSA-N 466.537 5.775 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cc(Cl)ccc1OCc1cccnc1 914694129 ZBGQCCULKULEFG-UHFFFAOYSA-N 465.966 5.142 30 20 JKED N#C[C@H](C(=O)COc1cccc(N2CCCC2=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102846 JDOFZEDFDSFJQV-GOSISDBHSA-N 486.380 5.499 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)nc(O)c2c1C 915106916 IXMRXCYFDKWQCB-OLZOCXBDSA-N 487.557 5.257 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 915656228 HPFVFORGGLBEQS-AZGAKELHSA-N 455.945 5.898 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)c1 916210763 IKTBPLFRNRZISI-LJQANCHMSA-N 461.509 5.445 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 916217587 QWVWDGVHCDHBHI-IBGZPJMESA-N 479.524 5.092 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc(Br)c1O 916276541 AYTKSAJAODRYIG-UHFFFAOYSA-N 488.194 5.290 30 20 JKED CCCOc1c(Cl)cc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)cc1OC 916542529 PCKXRVITZGMBNH-UHFFFAOYSA-N 468.913 5.168 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3cnc4c(cnn4-c4ccccc4)c3=O)s2)cc1Cl 916544661 PZJNFPBSGUIXAT-UHFFFAOYSA-N 496.383 5.280 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 916712859 FCJWILXXJUGKFK-QLYXXIJNSA-N 495.432 5.003 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1sc(COc2ccc(F)cc2)nc1C 916903455 OBZQMMGGLDBDMO-FQEVSTJZSA-N 465.550 5.256 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 916954518 IQFDGPCDJXAAPI-BFUOFWGJSA-N 466.632 5.570 30 20 JKED N#C[C@H](C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997139 RQTSXDVLQGPDCC-OLQIXAPSSA-N 495.457 5.019 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2C#N)c1 917704022 QLNXIKSYDCXVPX-XMMPIXPASA-N 484.581 5.036 30 20 JKED Cc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917704657 WLRJTEZVRCTIKY-QHCPKHFHSA-N 454.555 5.027 30 20 JKED CN(C)c1ccc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)cc1 918036871 AWOWXVKUQDLXED-UHFFFAOYSA-N 454.574 5.594 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2occc2CSc2ccccc2)c1 918165033 JKTPUVAFRKYCRR-VYIQYICTSA-N 497.642 5.417 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918488018 UDKAWZUDXRYHFW-KRWDZBQOSA-N 471.409 6.808 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)n1 920327600 XBPUDKVNWFCFSO-YWZLYKJASA-N 485.359 5.079 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(CC)cc3)N(Cc3cc(C)on3)C2=O)cc1 920354721 FNESIKMLQPKQLQ-HSZRJFAPSA-N 492.601 5.105 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2Cl)no1 920355436 MPUYLUOFUXBKGC-LJQANCHMSA-N 490.919 5.075 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 920669793 AIXLKAQOZANXQT-CYBMUJFWSA-N 490.368 5.324 30 20 JKED CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 920892259 KFHMCAMEBIDCTF-RXVVDRJESA-N 472.589 5.778 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 920984422 OVNYQYGLHIMKSI-IBGZPJMESA-N 472.408 5.172 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2ccccc2C)C1 1777762742 XUTCZNGSELXIRW-FYBSXPHGSA-N 489.660 5.177 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H](NC(C)=O)c3ccc(F)cc3)CCC2)cc1 1785842990 NBRJGHRRJRHDQP-XMMPIXPASA-N 479.596 5.129 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(N4CCCC4)ccn3)CCC2)cc1 1786103640 RIULBKMDIQIWQX-UHFFFAOYSA-N 458.606 5.198 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)c1 1786245644 MBAXMOXZUXFKRY-GOSISDBHSA-N 465.544 5.887 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(OC)cc4)on3)CCC2)cc1 1786678112 CJZQSJSKFSSBSV-UHFFFAOYSA-N 477.586 5.017 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)CCC1 1787701242 RKZVIMWLUKBQHF-UHFFFAOYSA-N 456.586 5.499 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CNc5ccccc54)cc3)CCC2)c(Cl)c1 1788047558 ULGZBXVKAWXJJZ-JOCHJYFZSA-N 470.960 5.169 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1788673180 NWMLZQMHJOIWFC-UHFFFAOYSA-N 476.536 5.583 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)ccc1F 1788727659 XLKVEHUQDGXRFS-UHFFFAOYSA-N 485.437 5.300 30 20 JKED Cn1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(C(F)(F)F)c1 1788823334 WBNTWQFWLCZTJO-UHFFFAOYSA-N 480.490 5.171 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cnccc5[nH]4)cc3)CCC2)c(Cl)c1 1789359754 ZUHOVODWMLAVHM-UHFFFAOYSA-N 469.932 5.149 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CCC1 1789905377 VEUMSZGUPHAJHL-CYBMUJFWSA-N 468.406 5.604 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)CCC1 1790161179 WPOOXHOGRLRVFA-UHFFFAOYSA-N 499.468 5.082 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)cc2)CCC1 1790563569 GKWSJFVJUZIYGR-CXUHLZMHSA-N 469.585 5.517 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)cc3F)CCC2)cc1 1790563767 LTUNRPXRYJLUPZ-HNNXBMFYSA-N 490.373 5.137 30 20 JKED CCOc1c(F)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)ON=C(C)C)CCC3)cc2)cc1Cl 1790727894 MUFUWOUFHKQWIQ-INIZCTEOSA-N 489.975 5.426 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ncc[nH]5)cc4)CCC3)cc2)c1 1790765810 FKIFKJUGBKHVAO-UHFFFAOYSA-N 479.515 5.149 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccncc3Cl)CCC2)cc1)c1ccc(O)cc1 1791646164 FZTNORWGHJPGEM-HXUWFJFHSA-N 487.987 5.386 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnn5ccccc45)CCC3)cc2)c1 1792123592 KRLLDDMVYQCIGR-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3(CC)CCC3)CCC2)cc1 1792337496 UBUHNTWFYYGORG-WHLCRQNOSA-N 481.637 5.170 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)cc1 1793210944 GCOUHBCDQRHDKL-NVHHRYBTSA-N 490.047 5.632 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800008543 RFMFSEHXFUEGHC-KGSLCBSSSA-N 480.052 5.648 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C3CC3)cc2)cc(C(F)(F)F)c1 1800730145 JBAIPXBNZYIPMW-NUNAXRQHSA-N 467.491 5.020 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@H]1c1cccnc1 1802501128 HLIAXSWOBJZVLS-LEQOFBOASA-N 485.550 5.211 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802832277 TXVVNJBCYSOHRP-WUBOSGNUSA-N 466.025 5.313 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 1803079297 KMSRHFAVZGXHTK-AFBIOWAKSA-N 477.571 5.225 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(ccc5ncccc54)s3)CC2)C1 1806062578 APBABMXPKBQRQA-QHCPKHFHSA-N 481.687 5.249 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cn(-c4ccccc4)c4ncccc34)C2)CC1 1810451261 KGQXKKMALUPPTQ-JOCHJYFZSA-N 470.617 5.083 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 1811935900 GLXJDRNXYTULSQ-IXDWGBGWSA-N 499.014 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812302652 BHPKNTHJDOZBAA-AJTFRIOCSA-N 495.623 6.293 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)[C@@H]1c1cccnc1 1813049136 MQXDPOJHLONCFG-FYBSXPHGSA-N 490.607 5.124 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)C(C)(C)Cc3ccccc3)[C@@H]2c2cccnc2)c1 1813863376 JFSKUQIQRRDKLE-KKVCJECGSA-N 494.639 5.297 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)[nH]n1 1814444197 XJAHHABMJYZGPL-LJQANCHMSA-N 483.016 5.318 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)Sc2ccccc2)n[nH]1 1815090173 KOZBFMKLLJLZPH-AVRDEDQJSA-N 452.624 5.351 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1815245757 AQNBZEHQKGSGDB-WMZHIEFXSA-N 494.702 5.039 30 20 JKED CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)[nH]n1)c1ccccc1 1816741200 ANVCPSLFHSVTFZ-ISKFKSNPSA-N 455.562 5.090 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)[nH]n2)CC1 1817111671 AEDVSIAQGMBICJ-UPVQGACJSA-N 489.526 5.217 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@]3(F)CCCCC3(F)F)n[nH]2)c1 1818891340 GTQXIYLQCXMGDP-AAORUROXSA-N 487.526 5.260 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819029386 OUUXXLCVRYLLCP-GOSISDBHSA-N 475.599 5.486 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)[nH]n1 1819305582 WFORHSHIRDAGCP-RCZVLFRGSA-N 499.615 5.555 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)[nH]n1 1819309589 XMTNNQXFKVVCBY-YKSBVNFPSA-N 475.568 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)[nH]n1 1819556600 GYINZJPMAMZCRI-LJQANCHMSA-N 458.990 5.370 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)cc2F)n[nH]1 1820630175 QRJDYWCEAMGXOX-OAQYLSRUSA-N 472.612 5.045 30 20 JKED CCCOc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1820645170 KGRASPPARAEGIF-QFIPXVFZSA-N 491.979 5.343 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)n[nH]1 1821788746 VHVOWGVOTDRBDV-HNAYVOBHSA-N 498.496 5.522 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CC2)[nH]n1 1821921739 UKDGDUSDWUHVQE-OXQOHEQNSA-N 485.426 5.108 30 20 JKED Cc1cccc(F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1823126860 ZMWKAZXVUAVACP-JTSKRJEESA-N 459.525 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)on3)[nH]n2)c1 1823211771 BEXXSCITNVAHPJ-KOSHJBKYSA-N 494.555 5.311 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212213 GSGWHDLGBVBCDG-VGSWGCGISA-N 488.617 5.163 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)c1 1823292935 WLIWHFFXDZUOJT-QHCPKHFHSA-N 489.551 5.136 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)cc1F 1823293134 ZZIORLOCMYNOCC-QHCPKHFHSA-N 489.551 5.136 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc43)[nH]n2)cc1C#N 1823294681 RAFNMEMFMQDWOT-ILBGXUMGSA-N 497.599 5.104 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1823885042 CLLPHMVWKQNTIT-HSZRJFAPSA-N 488.657 5.679 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1)c1ccc(O)cc1 1824876344 YEOJLCQEQFCGQJ-VWNXMTODSA-N 492.582 5.242 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccco2)CC1 1825771806 MQEZWKPJJVNACM-HHHXNRCGSA-N 466.581 5.227 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)CC1 1827923962 CYDGXRCXOQUOAJ-NRFANRHFSA-N 473.589 5.255 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c(Cl)c1 1828678553 MFBAMJNZHMHOII-HSZRJFAPSA-N 493.032 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1 1828829594 JUJWKDPDZCBMBP-CLJLJLNGSA-N 451.655 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(OC)c2)CC1 1828830125 LOTFHYYFJDZIHX-LASATKFFSA-N 450.623 5.097 30 20 JKED O=C(c1cc2c(Cl)cccc2s1)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828998094 USQZOBCEANKWAS-WJRZFDRGSA-N 498.048 5.500 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccsc2)CC1)c1ccccc1 1829032167 FKCBCQLLJHOPAF-IZZNHLLZSA-N 462.659 5.108 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829902787 VPOFDOHLAYYISL-LJQANCHMSA-N 455.451 5.146 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720721 FUUPSBFUACGDBP-XMMPIXPASA-N 454.014 5.213 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c(Cl)c1 1830724606 VBCNYAFHXCJLMA-HSZRJFAPSA-N 488.390 5.551 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1831368905 BJLPMELPUMTUHA-FNZWTVRRSA-N 463.622 5.136 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1831375769 DYTYIVUVDLIYGR-KOSHJBKYSA-N 454.014 5.334 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1831445998 QOOYNFPOUOEJRU-NRFANRHFSA-N 475.967 5.333 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F 1831450410 UHYZPRVSOIZVHY-LJQANCHMSA-N 494.451 5.125 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3cc(Br)cnc23)CC1 1831852073 NVEZIBGNNXSBNI-HSZRJFAPSA-N 496.449 5.034 30 20 JKED COc1ccc(F)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635886 XTFFSUQOIJDBCT-KBMIEXCESA-N 477.580 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1836696640 MUYWJJALTHKYRI-UIOOFZCWSA-N 485.068 5.211 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)CC1 1838323181 FVKJZAOJFKIRPZ-QHCPKHFHSA-N 484.637 5.421 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1 1847268138 ZVWSVIVECCMWBB-GMQQYTKMSA-N 473.661 5.054 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172857 IIDOBMGYHQSSLO-UHFFFAOYSA-O 495.615 6.413 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173313 WTNIXVAWUBXZSE-UHFFFAOYSA-O 477.653 6.413 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[n+]1ccc(C(C)(C)C)cc1 10174350 DDUPLCJYPWGYJY-UHFFFAOYSA-O 492.665 5.616 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC(C)(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10438401 PONWWZOHJOLTEB-CQSZACIVSA-N 459.612 5.154 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)n2CCc2ccccc2)cc1 12746296 KZPJMKUYGICZPR-FQEVSTJZSA-N 489.645 5.020 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2sc(C)c(C)c2c1=O 20788671 LGISANAPLKGGNL-UHFFFAOYSA-N 453.511 5.010 30 20 JKED C=CCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)c1C 20833745 SFAPHKUIMSSOAS-LJQANCHMSA-N 475.618 5.185 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(N(C)C)cc2)s1 22695269 RNALHLGDGRSMDS-UHFFFAOYSA-O 465.451 5.768 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)NCCc2ccccc2)cc1 22735489 IEIVOUKEAGHFSX-UHFFFAOYSA-O 473.706 6.574 30 20 JKED C=CCn1c(SCC(=O)N2CCSc3ccccc32)nnc1-c1ccc(Br)cc1 23498680 NZOIPFAIZXMFCE-UHFFFAOYSA-N 487.448 5.125 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccccc2)c1 27691859 IPMIFRFYYIAOGH-GOSISDBHSA-N 454.979 5.212 30 20 JKED Cc1ccc(-c2nc(C)c(/C(O)=N/c3nnc(SCc4ccc(Cl)cc4)s3)s2)o1 33149684 XYDLHCNTSDTLFX-UHFFFAOYSA-N 463.009 6.453 30 20 JKED Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 69643951 URTPSPZEDUGELR-UHFFFAOYSA-N 485.359 6.071 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 195696819 BRDYYSJLWWZLPW-NVXWUHKLSA-N 458.942 5.681 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Sc2ccccc2Cl)cc1 302998973 HVEPWGWPANFVNL-UHFFFAOYSA-N 461.978 5.594 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 303190320 FLBQMUCURUNUIZ-HNNXBMFYSA-N 453.539 5.174 30 20 JKED C=CCc1ccc(OCC(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)c(OC)c1 303193032 MRKYGAIVYLTZTR-UHFFFAOYSA-N 479.886 5.514 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1OCC(=O)OC 483433707 CUWMDKRXZHLVKG-UHFFFAOYSA-N 480.904 5.207 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cc1 498286649 SFLJVHVHFYHMBB-UHFFFAOYSA-N 489.622 5.263 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1C 499951403 DLODVIXEIWFCBB-QHCPKHFHSA-N 464.516 5.489 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1 501015593 BTOPRHYKFKBDCC-UHFFFAOYSA-N 485.565 5.213 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc21 501070753 SNKWPALURWLCPV-UHFFFAOYSA-N 487.368 5.799 30 20 JKED C[C@H]1CN(Cc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)C[C@@H](C)O1 501483035 VUODFGPPJWTIJY-SZPZYZBQSA-N 469.585 5.193 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2cccs2)oc1C 501601854 BWGGYXOYTCPINA-UHFFFAOYSA-N 458.996 6.014 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1Cl 503285068 RVXYOPQEOBWADN-AOYPEHQESA-N 452.945 6.302 30 20 JKED C=CCn1c(SC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 508385816 IQVMETYUUHGSCY-YWZLYKJASA-N 464.418 5.669 30 20 JKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510011059 SSVUEIOLZJKKFT-JOCHJYFZSA-N 460.965 5.660 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccccc1Cl 510793886 DQTCFHBXLOPBGF-GFCCVEGCSA-N 455.877 5.121 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 511308805 WAXCXNWQVNWXCL-UHFFFAOYSA-N 469.589 5.429 30 20 JKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COc1ccc(Cl)c(C(F)(F)F)c1)CCCC2 512105826 PZWDYPPMEBRXRM-HNNXBMFYSA-N 481.902 5.107 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)n2)cc1 515321842 QKDTUJZTMMOXCW-UHFFFAOYSA-N 472.501 5.091 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4cccs4)n(-c4ccc(F)cc4)n3)n2)cc1 516270458 ZLHCPLAFXVUJAV-IBGZPJMESA-N 496.552 5.620 30 20 JKED CN(C(=O)CNc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)C1(C#N)CCCCC1 516368183 MAAJLUGSYBSALF-UHFFFAOYSA-N 476.474 5.194 30 20 JKED COc1c(F)cc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)cc1F 517443091 NFMNCFVUAXHHIM-UHFFFAOYSA-N 482.743 5.416 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)n2)cc1 518515497 SKFMGUSULZIJBZ-QGZVFWFLSA-N 464.337 5.664 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)cc1 518662508 HFHQWSGSBRUBGQ-GBXCKJPGSA-N 457.599 5.747 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 519434392 YSNYXHVEPLEMEY-UHFFFAOYSA-N 474.508 5.066 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 519943845 FJVSBBYYWXRKFN-JOCHJYFZSA-N 464.363 5.276 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc(-c2c(F)cccc2F)cs1 520427350 FPGBTXGSPKGZQH-CQSZACIVSA-N 482.462 5.531 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Br)ccc2Br)c1 523223511 GWQRTRXMFCSNLR-UHFFFAOYSA-N 476.124 5.508 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 524248604 DEGCQWWJWYVBAM-UHFFFAOYSA-N 497.576 5.499 30 20 JKED N#C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 524336386 SAZXQASDDVGUJR-MHZLTWQESA-N 461.521 5.513 30 20 JKED C=CCN(Cc1ccc(OC)cc1)Cc1nc(O)c2cc(Br)cc(Br)c2n1 550702958 ZQSLTQSKRMVDJQ-UHFFFAOYSA-N 493.199 5.057 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2CN(C)C)c1 577660400 HSNNDOXQDXJGQR-UHFFFAOYSA-N 484.021 5.035 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(-c2c(F)cccc2F)n1 586801669 FKFWBXFYOZDLBZ-MYJAWHEDSA-N 458.374 5.728 30 20 JKED CC(C)c1noc2ncc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc12 603672266 UCMBRVKCVMYGSZ-UHFFFAOYSA-N 471.464 5.536 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 603803137 IVNRYHHFHYIZHY-UPVQGACJSA-N 455.949 5.640 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 603831199 VXAUBHVBDSPYFH-AREMUKBSSA-N 498.583 5.726 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 603900727 VGHSDICOACHKQP-INIZCTEOSA-N 488.444 5.400 30 20 JKED Cc1nc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)sc1SCC#N 603964441 MYCCXLDOOGKQIV-RBBKRZOGSA-N 476.627 5.186 30 20 JKED CCn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C#N)nnc1-c1cccs1 603969322 LWXXIHKEMVGECS-UHFFFAOYSA-N 451.602 5.357 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cs2)cc1 603995663 SUZGIKANQUXARI-UHFFFAOYSA-N 454.511 5.195 30 20 JKED N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 604053249 QQDHQGQUTVAQIM-SFHVURJKSA-N 455.370 6.120 30 20 JKED C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2[N+](=O)[O-])C1 604241799 OAXPQRKQECKCID-KRWDZBQOSA-N 457.490 5.142 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 608918005 ADHYKIPSRAJXNF-VWLOTQADSA-N 458.631 5.339 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609081533 RXTMHOQZJBZIMQ-UHFFFAOYSA-N 461.856 5.307 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)c2)cc1 609176504 KBPCVTAROZOVDQ-UHFFFAOYSA-N 455.901 5.466 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 609370881 GCNYKNSKTVXIQV-AWEZNQCLSA-N 454.646 5.553 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1cc(Cl)c2c(c1)OCCCO2 609388232 WXJHTRPKCDOVCD-OAHLLOKOSA-N 463.024 5.767 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 609402671 HRTISKLBNTWGLE-HXOBKFHXSA-N 463.990 5.436 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 609413907 DNJJWIVMHUZVDB-UHFFFAOYSA-N 483.977 5.100 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 609415325 URQVKUJGOKYIBT-FQEVSTJZSA-N 466.379 5.715 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 609436100 GIDOACRKGRZEBM-KRWDZBQOSA-N 456.999 5.114 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3sc4c(c3C#N)CCCC4)CC2)c2ccccc12 609563064 JLGNHROULGNTPV-UHFFFAOYSA-N 473.598 5.151 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCC(=O)N1CCCC1)c1nc(-c2ccc(Cl)cc2)cs1 612894863 SSFYKDSNJMSJJG-IBGZPJMESA-N 482.030 5.668 30 20 JKED N#C[C@H](C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346093 CKYIVFNAOZRGMD-IEBWSBKVSA-N 473.381 6.165 30 20 JKED N#C[C@@H](C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347397 ZRCCLRATIWQHRU-HKUYNNGSSA-N 473.381 6.165 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nc2ccccc2n1C(F)F 613403136 CZCTULYEEKJCMZ-MRXNPFEDSA-N 485.416 6.003 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)nnc1-c1ccoc1C 613907965 NVIFAHSFXUNCKO-QFIPXVFZSA-N 464.635 5.786 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnn1CCOc1ccc(F)cc1 622284148 QPSVGJPCMUJMSB-UHFFFAOYSA-N 476.352 5.095 30 20 JKED COc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OCC(F)(F)F 642499728 UFCYSSUGPNWJJN-IAZYJMLFSA-N 482.343 5.667 30 20 JKED FC(F)(F)c1nnc(S)n1N=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 725753147 GQVNCQZJNFFACZ-UHFFFAOYSA-N 468.464 5.126 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S/C1=N/[C@H](C)c1cccs1 726419404 FCRILKCLQWCCBH-OGZKHHNDSA-N 451.564 5.216 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2ccsc2)C1=O 726419933 GYSHJQTXRFVWCF-PDNRQDKUSA-N 485.656 5.408 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3cscn3)C2=O)cc1 726421272 PAWPTFUJEABWDI-WWUPYOLOSA-N 470.645 5.103 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)COCC(F)(F)F)c1cccs1 726421822 PWEKKZGHJVOXJA-YHOMHGQSSA-N 499.580 5.105 30 20 JKED C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 726471490 ODFIPPQRKUFXMJ-CQSZACIVSA-N 452.942 5.651 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726573272 VJZSLRQASURHEU-UHFFFAOYSA-O 471.646 6.363 30 20 JKED N#CCCCOc1cccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c1 726802031 QZADKLVKTRFRLJ-PDGQHHTCSA-N 459.390 5.537 30 20 JKED CC(C)(C)Sc1ccc(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cc1 726846710 VRLCPEZVTOVSMQ-UHFFFAOYSA-N 466.586 5.110 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1Cl 726891447 OCTUFMGBSHQTJC-SFHVURJKSA-N 497.926 5.490 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CC(C)C)cc1Cl 726893285 ZIXHBNJMFQGAQT-OAQYLSRUSA-N 488.009 5.168 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccc(Cl)nc2)cc1 727159538 JCDKUIJFVSBYHM-UHFFFAOYSA-O 482.029 5.451 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3ccccc3Cl)n2)cc1 727561910 QBPDBRGZNYAXMT-INIZCTEOSA-N 453.951 5.264 30 20 JKED CN(C(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1CCCCC1 727991348 JPPUWSCMZFEBQQ-UHFFFAOYSA-N 457.530 5.387 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccco2)cc1 728425975 HIRSXRQFYDZVPN-HSZRJFAPSA-N 488.569 5.099 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(CCCCC#N)C2=O)c1 728780727 XWHYFSPBRIEBAC-NRFANRHFSA-N 499.036 5.620 30 20 JKED Cc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1NC(=O)c1ccncc1 729319887 PWSDIFPBMRPMHM-XMMPIXPASA-N 480.955 6.204 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)c1 729632940 TXIUVGDEUJVWCN-XMMPIXPASA-N 490.604 5.615 30 20 JKED N#Cc1cccc(COc2ccc(N[C@H](C(N)=O)c3ccc(Br)cc3)cc2Cl)c1 729676557 NWGWXZPPGSDLLX-NRFANRHFSA-N 470.754 5.192 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1C 730712898 OHVWAHSPRKPOKN-DEOSSOPVSA-N 484.581 5.605 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cocn3)C2=O)cc1 730724907 PJXAYONFWUJIPM-XMMPIXPASA-N 499.596 5.054 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(C2CCCC2)C1=O)Nc1cnccn1 730728140 YZVNAHYVTUOJRT-JOCHJYFZSA-N 471.586 5.047 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N([C@@H](C)c3cccnc3)C2=O)c1 730944986 JUQJBDRPPIAWJN-OYHNWAKOSA-N 496.539 5.090 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4ccccc4SC[C@H](C)C#N)cc3)ccc12 730989272 JKQQEIAKODPVFM-GOSISDBHSA-N 484.577 6.185 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Br)C3)cc2)c1 731399433 BVOHASWLOSQUGT-HSZRJFAPSA-N 478.346 5.718 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1F 745991218 QJOHGZQFFQURNM-QFBILLFUSA-N 496.391 5.272 30 20 JKED N#C[C@@H](C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)c1nnc2n1CCCCC2 746416777 VXAZTNPYRYFLSI-INIZCTEOSA-N 479.371 5.204 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CCOC(C)(C)C)C1=O 746698062 SYEQGSDDUSSURX-FQEVSTJZSA-N 490.025 5.124 30 20 JKED C[C@@H](OC(=O)c1cc2cc(Br)cc(Br)c2o1)C(=O)Nc1ccccc1C#N 747504817 NABOWCXKQSQCQV-SNVBAGLBSA-N 492.123 5.013 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCc3nccs3)C2=O)cc1 747600092 NLDPEARZSCWXLU-NRFANRHFSA-N 494.642 5.135 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N([C@@H](C)CCc2ccco2)C1=O 750908479 ANYYVKWONNRERA-MBSDFSHPSA-N 461.587 5.036 30 20 JKED N#Cc1cc2c(nc1SCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)CCCC2 775033457 HSBUNZMHRHMBQP-UHFFFAOYSA-N 461.201 6.176 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NCC#Cc2ccccc2)c1=S 818078257 WCBNGGIRMLZTKK-UHFFFAOYSA-N 453.011 5.093 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N([C@H](C)c2cccnc2)C1=O 837404136 YZULZGJLXGMWGM-NTKDMRAZSA-N 488.613 5.429 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837745405 SZTDDMZASKKLOH-QMHKHESXSA-N 490.560 5.145 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837871728 JLDLCUUPZORVGP-CYFREDJKSA-N 488.613 5.510 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)c1 838277537 AJUQDUNFPVJFOD-GAJHUEQPSA-N 476.577 5.505 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1F 838596227 NXSCIISVGVOSRO-JOCHJYFZSA-N 483.540 5.115 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccc(C(=O)O)cc1 840075873 CLDQTYCIZYPGCP-AREMUKBSSA-N 494.551 5.053 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)OCC(=O)c4cn(CCC#N)c5ccccc45)cc3)o2)c1 904164491 XKQBFIUNXMQPSH-UHFFFAOYSA-N 490.519 5.620 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915088008 YOLSNLBIDOTDIV-ZBLYBZFDSA-N 487.625 5.466 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)cc1F 915112319 XCXBNFZVYVAYIV-QFIPXVFZSA-N 481.524 5.134 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CC3CCC3)C2=O)c(OC)c1 915112414 YWDZJKKWCYUPIW-OAQYLSRUSA-N 488.009 5.118 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1 915353479 UNRQRNYTIVKQSD-QFIPXVFZSA-N 495.446 5.516 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccccc2F)c1 916207273 YKEDYWKIHYNAOY-HSZRJFAPSA-N 493.560 5.003 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 916209202 GNTRGTILTXQGCK-FQEVSTJZSA-N 468.941 5.035 30 20 JKED C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1=O 916326980 BTNZNGHSJWWWKU-DEOSSOPVSA-N 481.339 5.047 30 20 JKED Cc1ccc(C(=O)Nc2cccc(OCC#N)c2)cc1NC(=O)c1ccc(Br)cc1 916411034 MOBNXILHVPOLQH-UHFFFAOYSA-N 464.319 5.165 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916938486 LMNMMNFAFDVDMK-INIZCTEOSA-N 477.801 5.646 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044281 QMBHJZXIGVSTCU-BXKDBHETSA-N 487.272 5.860 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3F)s2)cs1 917560248 KDIMYKMTZOERRJ-FLIBITNWSA-N 466.534 6.731 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(C)s2)C1=O 917675569 OSPFALUKGUINGN-OAQYLSRUSA-N 465.600 5.226 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)c1 917676045 BLQGGJXIQQHSJZ-HSZRJFAPSA-N 476.577 5.306 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N([C@H](C)c3cccnc3)C2=O)cc1 917704124 FYKGMZYWLZSCRC-HOYKHHGWSA-N 499.596 5.073 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 918033601 DMKASZSEZJSKJO-KBMIEXCESA-N 489.417 5.753 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1 918034684 VGLXMFQAOSTXFN-AREMUKBSSA-N 452.558 5.792 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2cc(Br)cs2)n1 918486691 FCHIVEHJPJSUCJ-JTQLQIEISA-N 466.769 5.249 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 920101437 AEXUDBCDIDLCBX-IBGZPJMESA-N 473.872 6.036 30 20 JKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 920108864 BDXUHXVUNJTEOZ-IBGZPJMESA-N 453.361 5.432 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@H](C)c2ccc(C)s2)C1=O 920168054 HXJUHEWDTCLAFI-BZNIZROVSA-N 456.420 5.192 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1 920234426 GUAOLEHHLVRHPP-ZEQRLZLVSA-N 476.374 5.710 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cc(C)on3)C2=O)cc1 920354940 ISOPYVBNMYDWMY-FQEVSTJZSA-N 468.966 5.105 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@H]2c2ccccc2)c1 920356458 PKELBKYOAZCYID-NZJKTDFXSA-N 491.657 5.017 30 20 JKED CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806799 QAFQRYATWGTLNK-LPHOPBHVSA-N 483.540 5.401 30 20 JKED CC[C@@H](C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)n1nnc(-c2ccc(Cl)cc2)n1 920807123 YNKIQNOSUVNQAF-KSSFIOAISA-N 484.919 5.223 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3sccc3s1)C2 1779511600 RXADHSYUPAJSDU-HYBUGGRVSA-N 460.665 5.083 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3Cl)cc2)CCC1 1785956822 BMQMOTIKLGUKNY-INIZCTEOSA-N 456.970 5.317 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786058324 HNCBQTOKXPLEML-XPWALMASSA-N 481.637 5.026 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)c(Cl)c3)CCC2)cc1 1786677942 ASCHXEORXJQCLP-UHFFFAOYSA-N 450.391 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C3CCN(Cc4ccccn4)CC3)cc2)CCC1 1786931024 YVKRBLXHYSYNDI-UHFFFAOYSA-N 488.676 5.420 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)NC1(c2ccc(NC(=O)c3cc(C(F)F)no3)cc2)CCC1 1788307244 DTJRHVJYDJPGMS-UHFFFAOYSA-N 469.875 5.065 30 20 JKED CC1(C)CCc2cccc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CCC5)CCC4)cc3)c2O1 1788497573 PMQFNRXHLWCBMH-UHFFFAOYSA-N 457.574 5.232 30 20 JKED Cc1nc(Br)sc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1788871743 YAAGSFDFQUVCRC-UHFFFAOYSA-N 495.402 5.147 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)CCCC4=O)cc2)CCC1)C(F)(F)F 1789041360 MCMHXLRJJANYJP-UHFFFAOYSA-N 456.464 5.072 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C)cc(C#N)c5)CCC4)cc3)cc2c1 1789241553 CGBWFGXWSFOWAQ-UHFFFAOYSA-N 479.536 5.683 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnccn5)c4)cc3)CCC2)c1 1790079425 SCQHBCHUYRVMRY-UHFFFAOYSA-N 473.536 5.077 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)CCC2)cc1 1790569702 IGVZNINMWAKRGU-UZINWLIJSA-N 490.648 5.051 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccnc4c(O)cccc34)cc2)CCC1 1790977440 NXBUNYHMWHMKOF-NRFANRHFSA-N 455.558 5.457 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC[C@H](NC(=O)OC(C)(C)C)C4)cc3)CCC2)C1 1791564818 YDDXSTHKEXRSIK-CVDCTZTESA-N 481.637 5.170 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)CCC2)cc1 1791729142 YGOAELZZXGDICS-UHFFFAOYSA-N 482.506 5.523 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C4(C(F)(F)F)CC4)CCC3)cc2)c1 1792123959 VPDCADBWFOJQDU-MRXNPFEDSA-N 455.480 5.404 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)o3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204288 VZOMYNAYZXHCMY-NRFANRHFSA-N 481.593 5.195 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)CCC2)cc1 1792263179 QVTFYAQQOMMKHV-UHFFFAOYSA-N 480.490 5.257 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)C[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)CCC2)cc1 1792266270 HHADLOUIDISRQM-JKIUYZKVSA-N 481.637 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(-c3ccc(Cl)cc3)no2)c1 1796488109 BIGUVDIYNCGXIA-LTFXSFKNSA-N 488.975 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(F)(F)F)nc3ccccc13)C2 1798335152 YCGUQRDPVJGPCD-FCGDIQPGSA-N 471.523 5.274 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 1800413960 ZVASLNHIMGJDLK-ACDBMABISA-N 489.925 5.115 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)cc1 1800688314 CAHISROQHQDWFW-KOUNCHBCSA-N 484.987 5.148 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)c1 1800688571 TZXQWPDWMHFESA-KOUNCHBCSA-N 484.987 5.148 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1802496596 KXFIQNYMONMSOP-AZUAARDMSA-N 477.527 5.314 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@H]1c1cccnc1 1802502623 DIEITYNCOICKGV-KOSHJBKYSA-N 480.559 5.153 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)[C@@H]1c1cccnc1 1803091367 ZZZDRMVEQGNNJV-QDPGVEIFSA-N 488.607 5.109 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)CC2)C1 1806676780 CSIBYBUEYDBOOK-UHFFFAOYSA-N 498.689 5.404 30 20 JKED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CCCCCCCCc3ccccc3)[C@H]2c2cccnc2)CC1 1806857055 HUDLUEDOHLNWGW-IAPPQJPRSA-N 486.660 5.365 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc4ccoc4s3)[C@@H]2c2cccnc2)c1Cl 1807966355 PVTUBNUBTCELNP-GCJKJVERSA-N 490.972 5.048 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1808421059 GMUXCWCGBCZRTO-BCVDLGBTSA-N 493.673 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1809213718 BOGAMHWTKSQJDD-LXFBAYGMSA-N 498.671 5.613 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)c(F)cc3[nH]2)[C@H]1c1cccnc1 1809692191 HIIWVFCYNFWVNL-MHECFPHRSA-N 480.559 5.153 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)cccc3[nH]2)[C@@H]1c1cccnc1 1809795018 XADYGXDEDIHWAL-OFVILXPXSA-N 458.606 5.183 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)NC[C@@H]3CCN(C(=O)CCC#N)[C@@H]3c3cccnc3)cc2)cc1 1810602701 VSYGDCYFKQOJRB-MFMCTBQISA-N 494.639 5.715 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1811713254 NZKPJEAUUWLPPP-XMSQKQJNSA-N 474.432 5.700 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)[C@H]2c2cccnc2)c1 1811924762 QBKBXBUIGPAMPE-LVXARBLLSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812590597 MERNKSVHAFHNEI-ZCVJKFOLSA-N 466.025 5.075 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)[C@@H]1c1cccnc1 1812592662 YFMPXLBEOMJOEI-NKQQYQHASA-N 492.623 5.533 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@@H]1c1cccnc1 1812955811 DQVHZSSTZJPJPK-LTMIRXACSA-N 486.443 5.338 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)[C@H]1c1cccnc1 1813058684 RSAOGLNISFIIPD-GJZUVCINSA-N 490.003 5.210 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)ccc(F)c1F 1813849051 JKJIGWGYBSUQKM-QFQXNSOFSA-N 497.662 5.039 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)s1 1813864704 BIGMRXPIDXMFRV-MATUZCBOSA-N 486.641 5.031 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1813964564 ZKFLVIIGFJDUHA-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(OC)cc2)[nH]n1 1814828941 ZCJONIIKVYJUEK-HJMGBZSKSA-N 462.594 5.282 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1815655528 RPVQIVQRJBEJFG-FQEVSTJZSA-N 491.642 5.398 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3nn2)n[nH]1 1817933173 WMRWTYKVRLYIBP-OAQYLSRUSA-N 481.000 5.305 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)cc12 1818115883 OONMCTFWSADLRY-ZJVMWOEPSA-N 487.585 5.006 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/c1cc3ccccc3o1)CC2 1819599489 GDJQOIHUVVEQBP-FFZDDMFNSA-N 461.587 5.283 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1Cl 1820486105 UPBILCBSLYNEJD-JOCHJYFZSA-N 491.979 5.342 30 20 JKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)cc1 1821226032 VHQINJRIZPDZKX-ULPGGUMISA-N 495.583 5.403 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)[nH]n2)c(Cl)c1 1821274866 QPNUZIXDPDKDHT-IBGZPJMESA-N 475.927 5.066 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CSc3ccccc3)[nH]n2)c(Cl)c1 1821276452 SNTAFYSSOXFUDN-OAQYLSRUSA-N 479.993 5.033 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1821922738 OUJIGFSLTVZPJJ-KKSFZXQISA-N 473.602 5.691 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1)c1ccc(O)cc1 1822466751 APNJEBVVDGMDCC-HWBMXIPRSA-N 474.605 5.051 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccc(F)c(F)c3)CC2)C1 1823700640 ZVACZAOZWCEOJD-RUZDIDTESA-N 479.571 5.226 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c4ccccc34)CC2)C1 1823700691 VQJCEVBDEKJVGS-VWLOTQADSA-N 495.461 5.802 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1823703221 SXRRKGWMMLDWOT-RUZDIDTESA-N 456.586 5.786 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)[nH]c2ccc(Br)cc12 1823887834 OTZIBDLVABTHPZ-OAQYLSRUSA-N 499.453 5.022 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)CC1 1824146699 KFCPSMGIUNRBDZ-XMMPIXPASA-N 467.629 5.393 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)CC1 1824443707 PKPCBFRLXPHNLY-RPWUZVMVSA-N 489.701 5.046 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825572474 CSLADHGHZRDBKN-RPWUZVMVSA-N 471.642 5.009 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1825951359 KSGGFGAVOSJQIN-XMMPIXPASA-N 479.596 5.443 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCOc3ccccc3)CC2)c1 1826365615 SZAPBFRGFQYNBQ-WXVAWEFUSA-N 473.617 5.016 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827331791 GQHIAKPCQQZIHL-ATIYNZHBSA-N 490.648 5.091 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1827334374 LMNPFWRDNODRIN-XMMPIXPASA-N 497.586 5.202 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccccc3)CCC2)CC1)c1cccs1 1827684755 RACDFUVRYHGQMG-JHUUHBRDSA-N 490.669 5.229 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1 1827775238 SFTAMJZWVWVZHL-UZUQRXQVSA-N 486.538 5.208 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn3ccc(Cl)cc3n2)CC1 1828328546 YRBJYXVFUITXRT-JOCHJYFZSA-N 471.045 5.213 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1)c1ccccc1 1828653360 WSXCEMHVBJDEIA-JDXGNMNLSA-N 493.651 5.665 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c1 1828679184 VAANARFRSVHOJY-CLOONOSVSA-N 486.641 5.470 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)nc4ccccc34)CC2)CCC1 1828714150 RZCZQYLCQKUNHV-QFIPXVFZSA-N 498.549 5.181 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nn(CC)c3ccccc23)CC1 1828825233 UYQMZKKNHOZDBO-ISKFKSNPSA-N 462.638 5.058 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1828828751 RVUAFYOOLHYYHS-FCHUYYIVSA-N 451.636 5.298 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1828885673 FWSPJTSELVOXSF-NFBKMPQASA-N 489.081 5.361 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573605 GCWROAORXPWKCO-HSZRJFAPSA-N 457.574 5.075 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1829658155 BOTHXVFUEFOMCB-JOCHJYFZSA-N 480.983 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829747982 QUEIDEINRSPVMU-BVAGGSTKSA-N 460.622 5.078 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830529672 PLTBTFAPCRUSAU-QFIPXVFZSA-N 484.534 5.061 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCCC[C@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1830537677 OTXHNGIUHRRICI-KRWDZBQOSA-N 494.451 5.420 30 20 JKED Cc1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601467 AFMQERIHWQOWIG-SSEXGKCCSA-N 491.635 5.337 30 20 JKED O=C(c1ccns1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602029 OANUAQMHDMTZTL-SANMLTNESA-N 483.637 5.090 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1830768417 UILMPTFQSZIAKC-MUUNZHRXSA-N 482.628 5.214 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C#N)CC1 1830781209 OGRYMTHBPZIACR-FQEVSTJZSA-N 450.410 5.085 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c(F)cc2OC)CC1 1831374112 LKZSTFDEEMAXPY-IERDGZPVSA-N 495.433 5.042 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1831502896 LKPZYWZHAHRACH-LXFBAYGMSA-N 471.645 5.304 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831750249 UNKCRFVCZYWCQW-QFIPXVFZSA-N 461.433 5.058 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1cccs1 1832144665 BLBIXADWTLVUOP-HTAPYJJXSA-N 470.038 5.310 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)c1 1832628896 GOGIPKJKOMPUBA-CYFREDJKSA-N 471.592 5.372 30 20 JKED CCC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1)n1cccc1 1832631136 RNWYSPFOPISYEB-VYCLJVNGSA-N 474.649 5.390 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1 1832633291 GEAHJWWOJFWJIM-HOYKHHGWSA-N 481.999 5.653 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1832688799 XHWGSYTXJBITCT-XMMPIXPASA-N 499.989 5.356 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1)c1ccccc1 1837685260 MAVSWKOFJMFWOG-RBISFHTESA-N 487.644 5.000 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1Cl)N1CC2(CCCN2C(=O)c2ccoc2C(F)(F)F)C1 1843488927 MLDKBSMJXCBXLQ-UHFFFAOYSA-N 498.782 5.241 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)c1 1844654842 SDXYYGWFKDUPFY-UHFFFAOYSA-N 480.593 5.207 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC2(CCCN2C(=O)c2cc(F)ccc2C(F)(F)F)C1 1846886703 OYLHWYBAOWANIM-UHFFFAOYSA-N 492.366 5.133 30 20 JKED CN(CC[C@@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccccc1)C(=O)OC(C)(C)C 2048541412 QBGJRIZJYPIJIS-HSZRJFAPSA-N 467.415 5.363 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nc2cc(Cl)ccc2c1=O 9353594 HQOPCNLGMWOIIA-UHFFFAOYSA-N 478.799 5.038 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(OC(F)F)cc1 10172909 VVTOYEYCNQAQMN-UHFFFAOYSA-O 457.522 5.197 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(N(C)C)cc2)c(Cl)c1 10178792 UUJYLHXLNWOKAU-UHFFFAOYSA-O 467.058 5.978 30 20 JKED C=CCn1c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 10242595 XHKRPDKUNRSYKV-UHFFFAOYSA-N 484.625 5.480 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(CC#N)cc3)c2)cc1C 15028951 AKZDDNNYFULZGJ-UHFFFAOYSA-N 453.951 5.076 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccc(C(C)(C)C)cc1 21179135 IDHZCHCWYDHGEZ-UHFFFAOYSA-N 465.648 5.609 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1-c1ccoc1C 21925075 NVPQNRZRVBMPSD-QFIPXVFZSA-N 495.004 6.167 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23604721 BRQCYPDTCMJXFX-UHFFFAOYSA-O 464.611 5.039 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n(C2CCCC2)c1C 24958484 VODNNBYYSBIKBC-UHFFFAOYSA-N 458.591 5.327 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 25277153 PKCXVKGNPKTVAM-STQMWFEESA-N 468.438 5.821 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCc2sccc2C)c1 25717072 LUOXNDZLWBRTDB-UHFFFAOYSA-N 461.008 5.021 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 25837813 UCYRXEAZSINXIZ-VWLOTQADSA-N 484.987 5.602 30 20 JKED COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(CC#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 26384152 QYZSTPANJKSZNN-AHKZPQOWSA-N 453.542 5.193 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Br)o2)nc2sc(C)c(C)c2c1=O 28614918 BENUKASAQJCXMC-UHFFFAOYSA-N 489.420 5.366 30 20 JKED CCc1ccc(C(=O)/C(=C(\S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(CC)CC)cc2)cc1 28649347 DWEIEFANDHKEKH-UHFFFAOYSA-O 489.661 6.262 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 29202732 FKRNOBJMPDEDIZ-UHFFFAOYSA-N 451.530 5.158 30 20 JKED C=CCn1c(SCC(=O)NCc2csc(Br)c2)nnc1-c1ccc(Cl)cc1 32581529 NMERYOVSKRLZDN-UHFFFAOYSA-N 483.844 5.017 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)n(Cc2ccccc2)c1C 45540959 UOYNUOSZJMCZRB-UHFFFAOYSA-N 476.993 5.194 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c1 108292212 GQQRASKBAJBZER-UHFFFAOYSA-N 468.307 5.229 30 20 JKED Cc1ccc([C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N2CCCC2)cc1 195745198 HYTCRPIFFDQOEG-SANMLTNESA-N 455.627 5.726 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1cccc(Cl)c1Cl 255572219 IBGOYISUZRTVLN-SFHVURJKSA-N 474.369 5.747 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1 302954942 FMVLQABVLGQPKT-UHFFFAOYSA-N 460.961 5.269 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1cccc(C)c1 303056613 SYNKRVVRHWHDMG-UHFFFAOYSA-N 487.654 5.858 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 409765207 RMLKFECVIQHFEL-NRFANRHFSA-N 455.283 5.227 30 20 JKED CC(C)n1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccc(Cl)cc1Cl 502583290 YUGLILFCNMIJTE-UHFFFAOYSA-N 498.439 6.676 30 20 JKED CCC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nnc2ccccn12 506333988 VHSSCZYBSQGIMP-HSZRJFAPSA-N 454.534 5.037 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1nc(-c2ccccc2)cs1 506545773 BVNVGMANMMAELE-UHFFFAOYSA-N 459.615 5.201 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc1 508272866 JVCQDWJGNNENJO-UHFFFAOYSA-N 472.545 5.665 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 509873040 WHRCRJDRCMGABQ-UHFFFAOYSA-N 496.489 5.510 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 509895856 RXXFESVQAVMCKN-UHFFFAOYSA-N 452.436 5.493 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 509957924 NXUDDQAUIMPFTC-MRXNPFEDSA-N 458.543 6.194 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1cc(Br)cs1 510886252 CNJPQESJXQWWLZ-UHFFFAOYSA-N 456.365 6.147 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 511730403 ROFHCENWNYIZLZ-UHFFFAOYSA-N 457.433 5.350 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(I)c(F)c3)n2)cc1 511752529 DBPINVSBAKVILL-CQSZACIVSA-N 462.287 5.352 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 511787228 QAKXUIWKUXDNPU-UZTOHYMASA-N 467.569 5.597 30 20 JKED CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 512191916 BKOYJPBTTCDVPK-QFIPXVFZSA-N 452.986 5.108 30 20 JKED CCCCOc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1OCC 513681859 KVAZGOCHAUPXGT-KRWDZBQOSA-N 465.575 5.343 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1OC 514240698 DXBPTUXHZIOBPU-CQSZACIVSA-N 462.497 5.278 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3Br)o2)c1C 515430409 ZEVCZKPXDPSBMM-UHFFFAOYSA-N 471.380 5.155 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1Cl 515911719 FKFLBOBQRMHKAH-RUZDIDTESA-N 479.967 5.840 30 20 JKED CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 516189550 ITUZBCOFNWSDET-UHFFFAOYSA-N 450.542 5.758 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C(C)C)cc1 518249020 UEZWAEBHLDWTAK-AXHZCLLHSA-N 451.636 6.046 30 20 JKED CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 518845099 NWCQZTTWFXRTFY-UHFFFAOYSA-N 453.420 5.367 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OCC)nnc1-c1ccc(Cl)cc1Cl 519137887 VSMJLIIQZIPYFS-UHFFFAOYSA-N 493.416 5.576 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nn(-c2ccc(F)cc2)c2c1CCC2 519978082 ZQLPKNYYTFOMEL-UHFFFAOYSA-N 479.556 5.288 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)c12 520408654 INXIWUOKRXFTJZ-UHFFFAOYSA-N 482.613 5.846 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)CC2)c1 522819736 SGOHDLMVTGDUCF-UHFFFAOYSA-N 492.988 5.016 30 20 JKED Cc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2cc(Br)ccc2n1 523378720 VWBPYFXAGFRKQE-UHFFFAOYSA-N 473.330 5.925 30 20 JKED C[C@@H](CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1c(Cl)cccc1Cl 523581520 YPIWXRPUVLBTMV-AWEZNQCLSA-N 472.332 5.212 30 20 JKED C=CCN(CCc1ccccc1)CC(=O)Nc1c(Br)cc(C)cc1Br 567936428 WWJKGUVYFJMPFO-UHFFFAOYSA-N 466.217 5.189 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)cc1 590880715 BXGHACQCSUVOCT-IBGZPJMESA-N 463.440 6.469 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CC[C@H](c2ccccc2F)C1 593447354 DLFHTJRSVULESS-ZDUSSCGKSA-N 480.380 5.729 30 20 JKED Cn1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2Cl)c(-c2ccc(C#N)cc2)n1 602759639 OPFONUDBQPWGNP-DEOSSOPVSA-N 457.896 5.522 30 20 JKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 604085451 JVHYCDGMESQDSP-XMMPIXPASA-N 455.558 5.579 30 20 JKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(F)cc1 604140518 MFILEDLTIYXWHJ-QFIPXVFZSA-N 460.509 5.117 30 20 JKED C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 608851037 QMYVTQCPGWOLLN-KRWDZBQOSA-N 473.916 5.852 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2)n1 609060665 JXDSHHKROZPTKL-UHFFFAOYSA-N 450.542 5.560 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(Oc2ccccc2)nc1 609079614 HQWXLBHLBMBKHY-UHFFFAOYSA-N 464.525 5.955 30 20 JKED COc1cc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[nH]c2c(OC)c1OC 609109713 AAHIXNJRUCSZJQ-UHFFFAOYSA-N 475.476 5.036 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 609378830 VBKSLCCPJGZKEQ-UHFFFAOYSA-N 480.387 5.959 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 609403683 QWGNJSJETJYMOH-KRWDZBQOSA-N 456.011 5.158 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)n(CC(C)C)c1C 611190588 CCZYTNFHVLSJTL-UHFFFAOYSA-N 467.614 5.364 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1 619561896 LMIWOURYWRUSDS-UHFFFAOYSA-N 481.364 5.295 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NN=C2c3ccccc3-c3ccccc32)cs1 725798507 WOUJEOSQCANTBT-UHFFFAOYSA-N 456.958 6.333 30 20 JKED CCCC(=O)Nc1ccc(O)c(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)c1 725839387 OUELIIYNMBMFJB-UHFFFAOYSA-N 463.538 5.778 30 20 JKED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1=O 725878911 SFQWAVPPELFNAC-NRFANRHFSA-N 482.528 5.145 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726116108 BECWVOPNJWUGPB-XMSQKQJNSA-N 495.674 5.611 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C)s2)cc1 726571325 SNOLSFJANIYJIK-UHFFFAOYSA-O 483.082 7.096 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2ccc(C(C)(C)C)cc2)c1 726573473 FRVOYWKTZIJXTR-UHFFFAOYSA-O 454.040 6.291 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)c(Cl)c1 726891676 PPCRAQPXFZHQKW-GOSISDBHSA-N 499.942 5.738 30 20 JKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(OC(F)F)cc3)cc2Cl)c1 727978152 HKEONWWIMVSFID-UHFFFAOYSA-N 459.905 6.201 30 20 JKED Cc1cc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c(C)n1-c1ccc(C#N)cc1 728268997 XSFZGDHNBLQKMI-UHFFFAOYSA-N 456.933 5.082 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1CCCCC#N 728776249 NLFSRZVKDJUXIQ-JOCHJYFZSA-N 477.634 5.024 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)c1 728777132 IXYAXKWFVKZCKP-XMMPIXPASA-N 486.597 5.503 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)cc1 728777284 JXQDRHYWGDJCBK-NRFANRHFSA-N 485.009 5.393 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)cc1 728778922 WDFZXHLRYPPXNH-JOCHJYFZSA-N 482.581 5.267 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 729552655 IINHCSMDLGVNEQ-HSZRJFAPSA-N 464.529 5.199 30 20 JKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 729889530 PEPXYXLLYGZTMH-IPOHDIHOSA-N 454.526 6.017 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1ccccn1 730522375 RZOGJJMAYYCHPG-QHCPKHFHSA-N 458.587 5.113 30 20 JKED COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Br)c1OCc1ccccc1 730588022 FEPHFMPRKXDQAQ-VQHVLOKHSA-N 494.341 5.264 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730944485 XCKWVKNCXPWNML-KSFYIVLOSA-N 480.540 5.390 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)cc1 731004372 MVTZNPDSCSMOIX-UHFFFAOYSA-N 467.481 5.481 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731305630 FIPMZLZMTRJXKQ-XMMPIXPASA-N 489.597 5.089 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccsc2)c1 743514740 UDGYONXEICGDCZ-NRFANRHFSA-N 467.591 5.034 30 20 JKED Cc1ccc(-n2c(-c3ccncc3)nn(CN(Cc3ccc(C#N)cc3)C(C)C)c2=S)cc1 746033464 UDLYILUVIYWDOJ-UHFFFAOYSA-N 454.603 5.513 30 20 JKED COC(=O)COc1c(C)cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1C 746486715 GFRQNZLJFZOZRY-UHFFFAOYSA-N 495.988 5.138 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(CCc2nccs2)C1=O)Nc1ccccc1 747603692 WBKVLSJIFYPJKN-JOCHJYFZSA-N 486.622 5.499 30 20 JKED N#C[C@@H](Cc1ccccc1)OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl 750058894 QSGYVKVYQCEKQW-QGZVFWFLSA-N 493.343 5.225 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(F)(F)F 750395296 MQMCAOSMBZJHMO-KRWDZBQOSA-N 494.922 6.222 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 837747576 WYFXINSLDZIPKF-QVKFZJNVSA-N 482.968 5.596 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2cccnc2)cc1 838037961 OHGLZXUAMGZWHL-OPAMFIHVSA-N 495.004 5.465 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CC)ccc1Cl 914527932 LXBUSUSAMAYQPD-HNNXBMFYSA-N 455.407 5.245 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCCC(C#N)(c1ccccc1)c1ccccc1 914887920 PBNMKDPOQXNXAU-HHHXNRCGSA-N 450.538 5.394 30 20 JKED N#C[C@H](C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 915102354 XWOZKFKCHPDWCP-HXUWFJFHSA-N 469.953 5.808 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc2ccccc2n1C(F)F 915107585 UPBVTBKMADNORA-UGKGYDQZSA-N 457.436 5.376 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2ccc(C)o2)C1=O 915112329 XGQWICAIWZTNGS-JOCHJYFZSA-N 498.004 5.453 30 20 JKED COc1cc([C@H](C)/N=C/c2cc(Br)cc(Br)c2O)cc(OC)c1OC 915980017 WPUPEEYJRWMPPY-LUKZVCJISA-N 473.161 5.123 30 20 JKED CCCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1OC 915990135 KPRQEKQYJJYZKK-CSKARUKUSA-N 486.540 6.190 30 20 JKED N#Cc1c(CCCNC(=S)Nc2ccc(Oc3ccccc3)cc2)nn(-c2ccc(F)cc2)c1N 916013272 ROYNKNRPHQOKQI-UHFFFAOYSA-N 486.576 5.177 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)ccc1OC(F)F 916127922 OJWLZFLZTSCMDB-QPEQYQDCSA-N 453.441 5.210 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCc2ccccn2)C1=O 916204814 DGOOVRRKDVSSCF-JOCHJYFZSA-N 496.995 5.386 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccn1 916207367 ZEROJNKCGCRLBV-NRFANRHFSA-N 482.968 5.343 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c1 916211548 PNDVBJQSHSTDIK-OAQYLSRUSA-N 499.976 5.111 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccccn3)C2=O)cc1 916217076 DQOZWADWPXDUOK-HSZRJFAPSA-N 486.597 5.062 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916916181 PILZSFUJQADILZ-QFIPXVFZSA-N 482.540 5.708 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916917830 KCDJDOJOHZQMFE-KUHUBIRLSA-N 453.361 5.430 30 20 JKED C[C@@H](Oc1ccc(F)cc1Br)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047150 SBKVBOIKZLCNHX-BXKDBHETSA-N 453.720 5.495 30 20 JKED Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2ccc(COc3ccccc3C#N)o2)o1 917328567 QNMJCQHDIDULJM-UHFFFAOYSA-N 482.452 5.101 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 917425899 FTKQHLIHULFPPG-MRXNPFEDSA-N 499.951 5.461 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3c(c2)CCC3)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 917634848 DRUINWUSTYOVEK-QGZVFWFLSA-N 467.900 5.095 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@@H]1CCN2CCC[C@@H]2C1 917687843 WPKBAIKKNQUJGA-VDKIKQQVSA-N 490.673 5.145 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N([C@@H](C)c2cc(C)sc2C)C1=O 917701341 OZGINFPSGFMKPU-YCRPNKLZSA-N 451.617 5.347 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)n2)cc1 920140462 COWUTZCEEGNWFO-JZLODUJNSA-N 457.864 6.244 30 20 JKED CCCCCCCC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2I)c1 920465038 PGRVQHHLVBICBO-UHFFFAOYSA-N 482.337 5.982 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2csc(CC(=O)Nc3ccccc3)n2)cc1C 920892348 LOEDCIKHPVVCLC-UHFFFAOYSA-N 499.596 5.075 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c3c(C)noc3n2)cc1 928976285 VLEFSMNMLFDOJG-SFHVURJKSA-N 486.503 5.138 30 20 JKED CCSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C#N)cc3)CCC2)cc1 1785779158 FRXIIYUWLMROLS-UHFFFAOYSA-N 470.598 5.056 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)cc5cn[nH]c45)CCC3)cc2)C1 1785807547 IVFAYYSAWFZONB-UHFFFAOYSA-N 479.378 5.039 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc2)CCC1 1786156660 FCCOVCCPVMKNRE-JOCHJYFZSA-N 483.653 5.582 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786181590 KDDQMMQGNWXHHO-FQEVSTJZSA-N 491.579 5.025 30 20 JKED COc1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)cc1 1786333236 QALKAIMULLYSLS-CLJLJLNGSA-N 465.553 5.118 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)noc3C)cc2)CCC1 1787267564 HBNSNUNVRQMHNZ-IBGZPJMESA-N 474.561 5.199 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(Cl)cccn34)cc2)CCC1 1788385963 OVVAUFIEXFYICN-UHFFFAOYSA-N 462.981 5.504 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3nccc4[nH]ccc34)cc2)CCC1 1788465000 MEYAIBMXKCQLMT-UHFFFAOYSA-N 472.665 5.362 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnccn4)c3)CCC2)cc1 1789456306 RULJBILBOWNATA-VWLOTQADSA-N 466.585 5.660 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(OC4CCOCC4)n3)cc2)CCC1 1789962255 CXEWBTYUCKJRPP-DEOSSOPVSA-N 489.616 5.156 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4c(-c5ccccc5)cn5ccccc45)CCC3)cc2)c1 1790147074 CLQWQELOUFTJBP-UHFFFAOYSA-N 499.574 5.868 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790553960 VXLMNLYAYKQHSE-QUCCMNQESA-N 457.615 5.026 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccccc3Cl)CCC2)cc1 1790564877 PZROVIDLEQWBKN-SFHVURJKSA-N 455.986 5.208 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccncc4)CCC3)cc2)c(Cl)c1 1790764363 WELAVFBYHNMUKU-UHFFFAOYSA-N 476.989 5.147 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c(C#N)c1 1790768020 ZUTOXPYUWZNLDO-UHFFFAOYSA-N 498.970 5.082 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)cc2)CCC1 1790994097 AUJSTHPZVCSMLB-UHFFFAOYSA-N 482.565 5.065 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791252354 OYINGGZTGAKXOB-MZKRTTBSSA-N 483.653 5.416 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)CCC2)cc1 1791298731 TWQVMELBBBFLRH-UHFFFAOYSA-N 492.448 5.312 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1791563235 PYOSEWIEIJBNRD-URXFXBBRSA-N 495.664 5.398 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)c[nH]4)CCC3)cc2)c1 1792124046 ZPBXKIMYQVPRAV-INIZCTEOSA-N 480.490 5.722 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4C4CC4)CCC3)cc2)cc1C#N 1792169527 PHECTCSNYXCXLL-BJKOFHAPSA-N 457.574 5.139 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ncccc45)cc3)CCC2)c1 1792291153 KZGFRSGXFUTMPY-UHFFFAOYSA-N 477.568 5.124 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 1793936685 AQRWCVSWZHWWLB-GYRXKGMFSA-N 481.518 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3cc(Br)ccc3c1)C2 1798334718 HWJYWPMYGHQEGF-KIHHCIJBSA-N 481.434 5.623 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(-c3ccccc3)cc12 1799136518 KHDLIDCQGOWWDB-NUNAXRQHSA-N 470.617 5.474 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@H](F)c2cccc(F)c2)c1 1800279069 ISEOLBRKUAMCJD-JVIOVZNBSA-N 452.545 5.349 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(ccc5ncccc54)s2)C3)cc1 1800543547 IPPXGRBCCDSDNT-WKCHPHFGSA-N 480.593 5.081 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(OC(F)(F)F)cc2)c1 1801579510 DYPINPRQOICKBR-QMZRJTEUSA-N 499.533 5.097 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CC)cc1)C2 1801639888 WIRVABWVOVOMQI-WLXSAPIGSA-N 497.680 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 1802229114 LXIOJXAYYAPPCF-WKCHPHFGSA-N 462.556 5.368 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@@H](CNC(=O)Cc4ccc(C#N)cc4)[C@@H]3c3cccnc3)sc2c1 1802580196 IFEOCGMTTVHGJB-CUBQBAPOSA-N 494.620 5.039 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)C1 1806067865 YUMFTTLWKFCNDH-GOSISDBHSA-N 476.992 5.158 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1807730110 UJCBREASAXIGHR-FDDCHVKYSA-N 497.064 5.657 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1808423524 TXWUGPMIBJHBRO-DHMKIYBQSA-N 493.673 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)cccc3[nH]2)[C@@H]1c1cccnc1 1810499578 ZNDWQWVUKNHEBE-PXDATVDWSA-N 458.606 5.183 30 20 JKED Cc1occc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811251089 HCPIUCYLXCXLRQ-LMSSTIIKSA-N 489.575 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811868432 JCRXYXXJQUMRKW-URXFXBBRSA-N 496.533 5.060 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1 1812803639 DFYFFKBGJXAJAV-WNJJXGMVSA-N 488.676 5.588 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1813057126 AIHWKBLZUDIYRM-VGSWGCGISA-N 476.404 5.071 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4c(s3)CCCC4)[C@H]2c2cccnc2)c1 1813865448 FHGJZIFNSDWEDV-BRBPODBZSA-N 498.652 5.282 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)[nH]n1 1814444110 UBQAIWPNSXXNQT-FQEVSTJZSA-N 463.582 5.198 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 1814742412 DBCSIYDEEMYYNU-QFIPXVFZSA-N 472.932 5.167 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccco3)no2)n[nH]1)c1ccccc1 1817833490 HLKALMIVDYAZAH-NFBKMPQASA-N 497.555 5.161 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386957 QVSJIZHXTAZMCT-QFIPXVFZSA-N 496.732 5.107 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1819478208 RFVJVBDHQZHAEK-WUERFNLMSA-N 495.992 5.296 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820079814 OHWRPNLBLCAKSM-DEOSSOPVSA-N 465.557 5.049 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1ccccc1 1820220940 JIVNZYJUGCAYMD-VGOFRKELSA-N 475.980 5.434 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc(Br)cc2C)n[nH]1 1820315575 HPAFEYKNXQQWCO-ZDUSSCGKSA-N 487.370 5.059 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3cccc(F)c3)[nH]n2)cc1 1820547143 FEQBOXUPCSADGH-DEOSSOPVSA-N 494.530 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1 1821427530 YDBAOPFLKVTAHZ-OFNKIYASSA-N 477.996 5.686 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821524276 OIQRYAIQCNXDGC-GBXCKJPGSA-N 497.599 6.225 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)[nH]n1 1821923545 YYZWENSJJLZUDW-UQBPGWFLSA-N 494.599 5.538 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)c(F)c2)[nH]n1 1821923982 ULDWASRSSHHIJQ-KSSFIOAISA-N 482.478 5.008 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1)C(F)(F)F 1821992858 JUAPXCYUNWHFCP-SFHVURJKSA-N 499.518 5.597 30 20 JKED Cc1cc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1F 1823205734 ABSOTMAIORKFQY-QMHKHESXSA-N 477.515 5.243 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc43)[nH]n2)c1 1823217455 SXEGMMVXIQWRTI-MQVPCNEGSA-N 467.573 5.073 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cccc1C(F)(F)F 1823289681 JNNRJASVIJTCLK-QFIPXVFZSA-N 495.505 5.423 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[nH]n1 1823422325 CURAXQQPOLKQKJ-QHCPKHFHSA-N 490.007 5.209 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C34CC(c5ccccc5)(C3)C4)n[nH]2)c1 1823594613 IMYBEKMMDAMVPK-NIKIYQIZSA-N 493.611 5.465 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1 1823755313 SUIXSCKAAZJSKW-RUZDIDTESA-N 453.671 5.243 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1824508577 WPXXOJIZFQRJIE-YKSBVNFPSA-N 489.616 5.252 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1824539297 RIKYGINYIWFCFN-PMACEKPBSA-N 457.467 5.181 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1824540908 QFUNGRJMORNJHY-NVQXNPDNSA-N 493.673 5.411 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824786932 SEMJIVNNCHKHPI-DNQXCXABSA-N 489.701 5.070 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccoc3c2)CC1)c1ccccc1 1827499171 MGSRQLDQAAVNKQ-VPUSJEBWSA-N 483.612 5.258 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)CC1)c1ccc(O)cc1 1828317116 HPSZFHJWTSRMPU-LEAFIULHSA-N 497.639 5.304 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)CC1 1828711305 AYNGGEMEWISVDG-QHCPKHFHSA-N 483.754 5.514 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccoc3c2)CC1 1828905490 RXHZTAYLNKWHDF-XMMPIXPASA-N 479.697 5.112 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1)C(F)(F)F 1829647843 UTNJMRXRGZMVLK-JOCHJYFZSA-N 493.570 5.085 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)CC2)c1 1829705108 CMEYMBLGQVVKHA-MHZLTWQESA-N 484.575 5.240 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1829708906 YSJMJIRXLMXAOF-NTKDMRAZSA-N 499.051 5.326 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2F)CC1)c1ccc(O)cc1 1829889730 ZBSRDQBFHJQOKU-AMGIVPHBSA-N 494.582 5.101 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1830014707 CBNOAONJJUBQME-RUZDIDTESA-N 484.625 5.229 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1830016568 IBNRSHKFSSZXKK-MUUNZHRXSA-N 478.596 5.167 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC=C(C)C)CC1 1830359286 UFVYASPQPYCIRS-BJKOFHAPSA-N 489.701 5.212 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1830416114 GHJRUCLNKXLISE-IDISGSTGSA-N 493.623 5.527 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1830422441 XCNFYDDFWIVSJP-YVSHKSEASA-N 484.706 5.713 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578286 LMOYDKGSYMYKSG-IERDGZPVSA-N 486.962 5.183 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)ccc(Br)c3C)CC2)C1 1830778321 SKZFIDZCKZVVAN-OAQYLSRUSA-N 477.418 5.096 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(Br)ccc2Cl)CC1 1831319522 AHENJFACURCFFL-JOCHJYFZSA-N 493.873 5.068 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1831368869 AOGVZYCJGZGWBH-HTAPYJJXSA-N 468.535 5.219 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1831856036 TYKRMYDLRQIEMJ-QHCPKHFHSA-N 469.423 5.412 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](C)c3cccs3)CC2)c1 1832146470 AGKSSYLBRYTRTL-JXALWOEJSA-N 463.647 5.412 30 20 JKED COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)ccc1F 1832589360 QETHEAKZTCWRKW-DEOSSOPVSA-N 486.704 5.119 30 20 JKED CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703345 ZMMHBHFGBPYGHF-GBXCKJPGSA-N 453.627 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1c(CC(C)C)oc3ccc(OC)cc13)C2 1844356015 DUMDBVQCOLHQNG-UHFFFAOYSA-N 466.622 5.449 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)C2)c1 1845883878 GTTJGSNCVGTURZ-RTBURBONSA-N 483.534 5.039 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 10168263 AUUJRJIHGCNRKP-UHFFFAOYSA-O 485.698 6.911 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(NC3CCCCC3)s2)ccc1Cl 10579968 WDNSKTYJQWLUMM-UHFFFAOYSA-N 450.033 5.284 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)c1C 10832620 SOJANRLTNITHAP-UHFFFAOYSA-O 497.040 5.289 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1 11247473 UYNLWWXYGCCCFG-UHFFFAOYSA-O 493.986 6.547 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)CCc2ccc(C#N)cc2)cs1 12957547 CDSHNJWUNQQUJT-UHFFFAOYSA-N 474.369 5.682 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc(C(C)(C)C)cc1 14871906 YLTDMSNJASDVAM-UHFFFAOYSA-O 458.072 6.600 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1Cl)[n+]1ccc2c(c1)CCCC2)c1cc(F)ccc1F 22730374 CYYFFMCFVDQICS-UHFFFAOYSA-O 457.953 5.835 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1ccc(F)c(Cl)c1 22799696 WOWOLSCGMJFORP-UHFFFAOYSA-O 492.821 6.142 30 20 JKED COc1ccc(Nc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)s2)cc1 23362154 MJWDWIBTRLTCIS-INIZCTEOSA-N 453.593 5.026 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23603493 ISVRTFFOPAPTPW-UHFFFAOYSA-O 453.031 5.811 30 20 JKED C=CCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2scc(-c3cccs3)c2c1=O 23946111 HUHGUGJFLLJYMW-UHFFFAOYSA-N 488.685 5.494 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nnc1-c1cccc(C)c1 24837796 QNXVSGHHZFNSMR-UHFFFAOYSA-N 489.670 6.490 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 27128985 NLFGEFFCOODUQC-UHFFFAOYSA-N 495.407 5.240 30 20 JKED CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C1(C#N)CCCCC1 29828794 PDMZBHBUBZSPLB-UHFFFAOYSA-N 469.998 5.017 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)N(C)C2(C#N)CCCCC2)n1-c1ccc(C)cc1 29831938 POBGPJHYTVRQHV-UHFFFAOYSA-N 475.618 5.028 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 108011925 CQQAGNGVRWYKSY-UHFFFAOYSA-N 457.480 5.653 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)C(C)(C)c2ccccc21 138615370 HLCKRUPMGBNHOL-PCLIKHOPSA-N 481.625 5.361 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 213817664 PCSZMDNWWLTUTJ-QLYXXIJNSA-N 496.639 5.090 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)cc1 303297234 CAWQSTCEOMMNGD-UHFFFAOYSA-N 493.405 5.473 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1 479342626 KBMOJYCMEKYKBA-UHFFFAOYSA-N 470.520 5.496 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 485801864 RDMRPMZSYUECAI-SNVBAGLBSA-N 486.334 5.901 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 499213923 NCXYZEXTYDFREI-KGENOOAVSA-N 468.538 5.665 30 20 JKED COc1ccc(F)cc1[C@H](C)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 501624465 CREZBRFROCIORY-NSHDSACASA-N 475.364 5.549 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C(F)(F)F)c1 501625845 QITJBBILKFDWBN-SFHVURJKSA-N 490.595 6.207 30 20 JKED C=CCN(C(=O)Cc1csc(-c2ccccn2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502962839 PELIBSRXXRJTNW-UHFFFAOYSA-N 487.437 6.397 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccccc3CN3CCCC3)c2)cc1 509895465 DUVNVHWYBAZZHS-UHFFFAOYSA-N 454.574 5.249 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nccs2)cc1 509957026 QGTDOISHLPISLO-QHCPKHFHSA-N 456.527 5.727 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC(F)F 510903012 NNLLLDNSFNZZCR-UHFFFAOYSA-N 467.472 5.933 30 20 JKED COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(OCCCC#N)c3)C2)c2ccccc12 511634056 KKURRNCNHWCHSW-FQEVSTJZSA-N 471.557 5.022 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C 511793573 QCZCHXRBWAGGAF-HHHXNRCGSA-N 467.569 5.597 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 514012037 WXELNENWUOJMDO-UHFFFAOYSA-N 484.575 5.235 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2CN2CCCC2)cc1 514019629 GOMCXXWWMNGYLH-UHFFFAOYSA-N 456.565 5.205 30 20 JKED CSc1nc(C)c(CCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(C)n1 515242118 RUSMNVVQCRRAFQ-NRFANRHFSA-N 450.995 5.696 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc(-c2ccccc2)cs1 515543643 UDYNWJNUTDWKTQ-QHCPKHFHSA-N 450.519 6.625 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OCC(C)C 516748591 UCKKOVDZLDXIPX-IBGZPJMESA-N 487.556 5.210 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 517859573 GPUMVTAKUABYEK-UHFFFAOYSA-N 453.567 5.406 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 518516682 RYAGAMNPMRYRBJ-IBGZPJMESA-N 490.997 6.169 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)s2)cc1 519970140 XZYSBAASCVFPKF-RUZDIDTESA-N 450.567 5.785 30 20 JKED Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1F 520187633 WZPPOKUGRGAONF-KRWDZBQOSA-N 483.590 5.582 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)cc2)cc1 520659319 JHQIVEUHWOMDHT-AREMUKBSSA-N 465.484 5.334 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)O[C@@H](C)C2 521733302 DUQADXQWDYAQHE-UCLAIMLFSA-N 490.547 6.175 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CC)Cc2cc(Br)ccc2F)cc1 522872596 VUILTSDFKJIFHW-UHFFFAOYSA-N 474.374 5.456 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1 523963541 QKRSJJWEXVWGBP-BJKOFHAPSA-N 469.541 5.140 30 20 JKED COc1cc(-c2noc(CCC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)n2)cc(Cl)c1OC 524572555 GEWPDLIMUNBORG-HNNXBMFYSA-N 495.750 5.028 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c3c2CCC3)cc1 557493894 DXKVNEBWOZSJDS-LJQANCHMSA-N 483.597 5.003 30 20 JKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 590875599 LJPMWDKPUPCNCT-STQMWFEESA-N 480.355 5.160 30 20 JKED Cc1sc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)c(C#N)c1C 603444930 FEVKMKCTPFOIAC-UHFFFAOYSA-N 481.553 5.493 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(C)C)cc1 604137921 CHZIWRSMIZZBLD-ILBGXUMGSA-N 475.976 5.456 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604421055 SLNQNNAKBQANBX-HUUCEWRRSA-N 499.411 5.315 30 20 JKED CC(=O)N[C@H](CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)c1c(F)cccc1F 608935865 ILTWHXIPCNKSOA-HSZRJFAPSA-N 465.475 5.085 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)cn2)c1 608995058 ZDXMXENPESMGEM-NRFANRHFSA-N 469.328 5.658 30 20 JKED CCc1c(C)sc(NC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)c1C#N 609033453 UKSOLBFZJYUIDC-UHFFFAOYSA-N 462.604 5.090 30 20 JKED COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 609104686 LLEZYEUBILQDMH-UHFFFAOYSA-N 456.477 5.031 30 20 JKED C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(Oc2cccc(C#N)c2)CC1 609195236 HFUAESHUHUARAN-AWEZNQCLSA-N 451.876 5.101 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 609213373 FKSIREUWMMOCRA-OAQYLSRUSA-N 466.538 5.633 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OC[C@H]2CCCO2)c1 609378508 MGOVIMJWOBETIO-GOSISDBHSA-N 450.482 5.521 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cc2ccccc2o1 609400294 WYJICYLVOAZVSH-ZDUSSCGKSA-N 461.465 5.273 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 609439764 NQHJWKWKPDVEPP-AFMDSPMNSA-N 485.609 5.250 30 20 JKED N#C[C@@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccc(F)cc1 609600481 HQPVWFYSDFCPGR-MKRMIXIUSA-N 472.501 5.655 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccc2ccccc2n1 613290826 NIKNHQVITMIGPA-QHCPKHFHSA-N 469.504 5.778 30 20 JKED COc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1 613319859 NJWXUMCOJJCEAJ-QGZVFWFLSA-N 451.960 6.086 30 20 JKED N#C[C@H](C(=O)c1occc1COc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613347243 XVYMYHHVXQZSKR-GOSISDBHSA-N 469.349 6.779 30 20 JKED N#C[C@@H](C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1nc2cc(Cl)ccc2s1 613407437 SXFDMEYYAJFOQH-INIZCTEOSA-N 451.960 5.431 30 20 JKED Oc1nc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(C(F)(F)F)ccc12 613734454 GEANZPWLVSZMRG-UHFFFAOYSA-N 455.280 6.004 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)nnc1-c1ccco1 614011718 ANASRUSGYWVCDV-FQEVSTJZSA-N 450.608 5.477 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 635827912 AWHVPWMVOFIDRZ-KRWDZBQOSA-N 485.009 5.141 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)nnc1[C@@H]1COc2ccccc2O1 643092514 VOSNZGVXSMTNEF-QRWLVFNGSA-N 479.537 5.327 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccsc1)c1cccs1 726414503 BDUWADAGYUIZMU-QVAVMFBNSA-N 469.657 5.077 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Br)cc2)[n+]2ccc(CC)cc2)c1 726572683 IWCREWBOVUPIKQ-UHFFFAOYSA-O 464.408 5.604 30 20 JKED CCc1c(C)sc(NC(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)c1C#N 727790596 LQJXFXCIZAAYIK-NTMALXAHSA-N 451.548 5.335 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(=O)Nc1ccc2c(c1)OCCO2 728062995 ZIZKHVLHEVSCAG-INIZCTEOSA-N 463.921 5.001 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 728412318 ULWUDOADUXJNPK-OAQYLSRUSA-N 471.479 5.136 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 728778045 PUMYZDIXFKXENH-IBGZPJMESA-N 492.498 5.499 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c(C)c1 728778957 WCRXUTYZRVYCIH-NRFANRHFSA-N 452.555 5.097 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CCCCC#N)cc1 728780587 UUOCYWINVKDVAH-QFIPXVFZSA-N 499.036 5.565 30 20 JKED CC(C)n1ncc2cc(/C=C/C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c(=O)[nH]c21 729319412 JZIOBJZBEQWFTR-YVWYTEFXSA-N 471.948 5.266 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(c3ccc(F)c(F)c3)CC2)c1=S 729465348 ADBHMRQGVZGCNN-UHFFFAOYSA-N 456.562 5.391 30 20 JKED N#Cc1ccc(Oc2cccc(NCC(=O)Nc3ccccc3C(=O)NC3CCCC3)c2)cc1 729675840 RXTIRRRVGBZDPQ-UHFFFAOYSA-N 454.530 5.074 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(NCC(=O)Nc2cc(Cl)ccc2C#N)c(C(F)(F)F)c1 729675847 SGUSFPORKIABCO-UHFFFAOYSA-N 468.863 5.628 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1 730688521 XYAGHPVHGFTPMW-LJQANCHMSA-N 453.514 5.476 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730943996 PMXZRTCGNUQAHM-YADARESESA-N 488.613 5.429 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730944481 XCFKKNIWPIMHAE-SQJMNOBHSA-N 486.641 6.037 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@@H](C)c1cccnc1 730944699 ZFEHKRPHEFIQCP-CPJSRVTESA-N 486.641 5.982 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3 730950906 CQDOUIHWNQSEMJ-KRWDZBQOSA-N 462.571 5.474 30 20 JKED C#CCOc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)c1 730977740 BPLGEHQXSDLOMC-UHFFFAOYSA-N 461.374 5.015 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1Cc1ccc(Br)cc1 731031575 YDDHMUOPTREJEP-PXNSSMCTSA-N 472.452 5.489 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)oc2ccc(Br)cc12 731063889 NAFMDBLOTIMOEV-CYBMUJFWSA-N 487.375 5.551 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CC(F)(F)F)cc1 731306108 RKOLPAUAAHMTIN-LJQANCHMSA-N 479.524 5.257 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2)c1 731309155 UBNMTIABEBOXIT-DEOSSOPVSA-N 489.597 5.008 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 743671283 PPRKLKJBRRWHES-UHFFFAOYSA-N 494.979 5.133 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cs1 745626032 HVVRXOUQZLVSMK-JXMROGBWSA-N 467.934 5.334 30 20 JKED CC[C@H](c1nn(CN(Cc2ccc(C#N)cc2)C(C)C)c(=S)n1-c1ccc(OC)cc1)N(C)C 746033052 LFUGKWZTZOHIPN-XMMPIXPASA-N 478.666 5.164 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 748611045 WORHPLBLMOCGJY-UHFFFAOYSA-N 471.947 5.638 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(OC(C)C)c(OC)c1 749184732 YBWGFXVAKDKVEW-UHFFFAOYSA-N 465.363 5.282 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccnc2)ccc1Cl 783670937 AEYNURMGHRAVCC-QHCPKHFHSA-N 499.995 5.233 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914690881 IJXGDHLRXFGGKY-UGSOOPFHSA-N 495.642 5.294 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694544 NKKBZIRCJDMBOT-ZHRRBRCNSA-N 481.549 5.019 30 20 JKED Cc1ccnc2sc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)c(C)c12 914917577 NFERGOQQDXUQJK-CQSZACIVSA-N 453.589 5.299 30 20 JKED Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)c1ccccc1 915019901 VLLOILVQZPNFJO-UHFFFAOYSA-N 487.581 5.245 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 915352165 FZAIINGWVZVHDM-QHCPKHFHSA-N 453.464 5.743 30 20 JKED Cc1c(NC(=S)NN=Cc2c3ccccc3cc3ccccc23)c(=O)n(-c2ccccc2)n1C 915926288 DSFKBGJBXNUVRD-UHFFFAOYSA-N 465.582 5.111 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccccc1Br 916205242 NCQQZPBNDVFYQA-NRFANRHFSA-N 494.414 5.610 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@H]2CCCO2)cc1 916207555 YZCDKFMQIHNITO-KNQAVFIVSA-N 469.582 5.088 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccccn3)C2=O)cc1 916207943 PKWFBPNGIDDFEF-XMMPIXPASA-N 488.613 5.258 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccccn2)C1=O 916209725 RHOXHXBNSDFQLS-QFIPXVFZSA-N 496.995 5.386 30 20 JKED Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=Nn1c(S)nnc1-c1ccco1 916318433 GAYTWRVAHZVPQP-UHFFFAOYSA-N 460.494 5.135 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C=Nn1c(S)nnc1-c1cc(Cl)ccc1Cl 916333703 REZINUMDHBKYGT-UHFFFAOYSA-N 457.390 5.284 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 916633427 CAEAUPDABTWFFG-UHFFFAOYSA-N 473.948 5.155 30 20 JKED CC(C)CNC(=O)C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 916684315 XPGYTCJBKBFQMO-JOCHJYFZSA-N 452.986 5.012 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916881736 WRCGODLCLFSCKU-MRXNPFEDSA-N 469.353 5.663 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 916883476 LDIRZUOVLBJVCS-QFIPXVFZSA-N 492.503 6.288 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cnn1-c1ccccc1F 916906186 CGYNBUHFZYOLIY-LJQANCHMSA-N 454.461 5.073 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1 916919711 ZGGSZBBTABHMSU-JOCHJYFZSA-N 454.555 5.082 30 20 JKED N#C[C@@H](C(=O)CCn1cc(Br)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 917430923 JCPUATCXXMMCLM-ZDUSSCGKSA-N 470.179 5.342 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)Nc1ccc2ccccc2c1 917610624 NUSOHRFSYCVKSX-UHFFFAOYSA-O 496.656 6.419 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2C)n1 917666018 NLIWNKLNVVDVHP-QFIPXVFZSA-N 479.005 5.512 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccsc2)C1=O 917678104 OWSMKKZGKVRFAO-HXUWFJFHSA-N 469.563 5.056 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2ccc3ccccc3c2)n1 917700079 GULYEBHNRJHSPI-SANMLTNESA-N 494.620 5.381 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C2CC2)o1 918414466 HPDRODXRLIGKJO-YWWLGCSWSA-N 453.542 5.188 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 919692442 LFQDLWQUVRCCSN-UDFXALJUSA-N 451.954 5.056 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](Sc3ccccc3)c3ccccc3)n2)cc1 920142668 MDDGJUXHQMLHQE-DHLKQENFSA-N 456.592 6.529 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@@H]2CCc3c(Cl)cccc32)C1=O 920171807 YWWFECTXALBNRT-QZTJIDSGSA-N 481.927 5.114 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cc(C)on3)C2=O)cc1 920353577 MZHOQLRMZDLJBO-QHCPKHFHSA-N 492.601 5.159 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2C)no1 920353652 OTVOHCDFNCEWDV-HXUWFJFHSA-N 486.956 5.244 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 920867244 CMPDATMSRWTXET-IIBYNOLFSA-N 474.026 5.200 30 20 JKED N#C[C@H](COC(=O)Cc1csc(-c2cc(Br)cs2)n1)Cc1ccc(F)cc1 920877039 DFWOCDCKODINEL-CYBMUJFWSA-N 465.369 5.241 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 921137680 QWMNUSVBGQGLSV-HHHXNRCGSA-N 494.595 5.116 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccc(C)cc3s1)C2 1779274512 XGYATPIDVXBMTN-GNMGOMLTSA-N 466.647 5.106 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4c[nH]c5ccc(OC)cc45)CCC3)cc2)C1 1785807999 CPBKLUAZEFUOIO-NYYWCZLTSA-N 455.558 5.290 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)[C@H]5C[C@H]5c5ccc(F)cc5)cc4)CCC3)c2c1 1786031914 QRNKOIOBJCBLCI-GOTSBHOMSA-N 493.542 5.125 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C3CCN(c4ccccc4)CC3)cc2)CCC1 1786092672 XOGPFDIRPZGCIH-UHFFFAOYSA-N 475.633 5.020 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3C#N)CCC2)cc1 1786102882 CTIUTHBAZHVVJY-UHFFFAOYSA-N 457.574 5.012 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3cccc(Br)c3F)cc2)CCC1 1786194944 BYYPEJHMQZBCFP-UHFFFAOYSA-N 491.426 5.184 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)cc2)CCC1 1787110379 NGVKMYPPFRAXHX-UHFFFAOYSA-N 481.478 5.147 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1787627627 BDMDKSKJEHZCSW-QHCPKHFHSA-N 483.653 5.560 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccs4)cc3)CCC2)c(C(F)(F)F)n1 1788229409 HHYWKPICMZVELE-UHFFFAOYSA-N 484.503 5.024 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312503 KKQHATIUFJGRJV-HXUWFJFHSA-N 474.051 5.652 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4nccc5occc45)cc3)CCC2)cc1C#N 1788343548 FVBIHQCCBXXTCU-UHFFFAOYSA-N 494.551 5.548 30 20 JKED COc1cc(F)c(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c(F)c1 1788649983 LLBBTYDVAOVTMZ-MDZDMXLPSA-N 496.535 5.222 30 20 JKED COc1ccc2c(/C=C/C(=O)Nc3ccc(C4(NC(=O)[C@H](S)C(C)C)CCC4)cc3)c[nH]c2c1 1789120147 KPXSIGIQMLVUGA-MYGGQEDLSA-N 477.630 5.278 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4cnccc4n3)CCC2)cc1 1789508059 HSGJKJRFEUEVEB-UHFFFAOYSA-N 484.676 5.429 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)c3ccc(Cl)cc3)CCC2)cc1 1790563725 KHJQVRKJIBYWSD-ROUUACIJSA-N 455.986 5.379 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CCC1 1790649926 PACXYGHADQTMEQ-OAHLLOKOSA-N 479.474 5.393 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Br)cc4c3)cc2)CCC1 1790868153 YXNPWHLRQSPCLB-CQSZACIVSA-N 484.419 5.063 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791583721 DLWRRACMEXZJBZ-REWPJTCUSA-N 481.637 5.008 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccccn3)CCC2)cc1)c1ccc(O)cc1 1791641644 AGLHFPICSXLHLF-QHCPKHFHSA-N 481.596 5.051 30 20 JKED Cc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)n1 1792122604 CNKGPJOQYXVJMU-IBGZPJMESA-N 452.558 5.008 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)c4ccco4)CCC3)cc2)cc1C#N 1792168873 JRWNXEBSPWENMZ-UHFFFAOYSA-N 493.510 5.478 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(OC)ccc1NC(=O)OC(C)(C)C 1800508891 ZDIUURJQGZIFFE-XAPVIXHLSA-N 497.636 5.062 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)cc1 1800513415 JLBYBYIKUPWMRA-VILGAWFOSA-N 487.003 5.185 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cccc4s2)C3)cc1 1800544042 GZEGLVLIVOYRDB-REPLKXPHSA-N 463.990 5.186 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1802503391 OAGYABVULGLWLS-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)C(C)(C)Cc3ccccc3)[C@@H]2c2cccnc2)c1 1803026926 RQQLGESEKCDICE-WWEDSPNTSA-N 494.639 5.297 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1803089928 DLWQJRDDARHZHL-NFBKMPQASA-N 489.513 5.328 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)CCCc3ccccc3F)[C@@H]2c2cccnc2)c1 1803120701 GLXQSAJECCKXKU-LVWCUCSXSA-N 498.602 5.190 30 20 JKED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCc1ccccc1 1804282508 UGMXKEWUGYWRCQ-ZRIRBKMQSA-N 466.666 5.026 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3sc4ccccc4c3Cl)CC2)C1 1806065986 GRBVZUFIQBZKNC-IBGZPJMESA-N 465.084 5.354 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1809397424 VGFJHYWPFODURS-BWKNWUBXSA-N 477.008 5.304 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1809840070 PMXKKPRITCZOEF-DVECYGJZSA-N 479.621 5.747 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2cccs2)[C@@H]1c1cccnc1 1810107683 LJOKEAGGSCSAAX-AAIMPIBUSA-N 469.676 5.098 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1810173394 ONFGKXJOYKIMLA-AZSVPQILSA-N 468.601 5.026 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc(-c5ccc(Cl)cc5)no4)C3)CC2)c1 1810375358 FUVCXLGRYFRDTJ-UHFFFAOYSA-N 488.975 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)[C@H]1c1cccnc1 1810489093 JKYCEOBGTKJXOT-QPPBQGQZSA-N 462.638 5.086 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811715767 VNHFLMOPCJEDAD-GAJHUEQPSA-N 497.357 5.033 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1811749127 MIANYJIBBAHMCZ-YNMPZUNCSA-N 493.051 5.389 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1811948811 PBXWBRCNEHUAGU-RBBKRZOGSA-N 473.539 5.412 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@@H]1c1cccnc1 1812053605 MWIBHUHRNDMIIR-XPIZARPCSA-N 495.929 5.165 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1812903717 MFSPMYMCVKYDMT-DZNWXHPMSA-N 479.024 5.143 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1812986793 OYUXTKSCKNVVDI-PXDATVDWSA-N 498.092 5.172 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814148946 PEKUWFKEOCDYAU-WNJJXGMVSA-N 461.650 5.637 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)n[nH]1 1814533016 BTALURKFSHPPRK-HXUWFJFHSA-N 489.661 5.040 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)[nH]c2c(Cl)cccc12 1815243306 OEMAYUQNDLYTAQ-DYESRHJHSA-N 474.030 5.113 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)n[nH]1 1817677584 BGASDJFNIVZWSB-NYHFZMIOSA-N 481.000 5.280 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)nc2ccccc12 1818115430 BRKCGMXYTFQGSC-LEQVUBRHSA-N 499.596 5.073 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(-c3ccccn3)nc2C)n[nH]1 1818162188 SAPLYXZOABUBTN-HXUWFJFHSA-N 492.649 5.535 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4cnccc4c3)n[nH]2)c1 1818646408 DQSRTIVQSCXMDL-BVZFJXPGSA-N 478.556 5.205 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818773405 QNBDMZRGXSYMJR-IBGZPJMESA-N 487.025 5.567 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)[nH]n1 1819302048 YKDYILDAQJEHFN-SIKLNZKXSA-N 459.550 5.139 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819386334 JJFSXASCMXMRHG-GBXCKJPGSA-N 489.696 5.394 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)oc2C)[nH]n1)c1ccccc1 1819517976 CPLIVMCLEPOLNG-ZJSXRUAMSA-N 458.562 5.123 30 20 JKED CCOc1ccsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217447 JYPFRPBQHWOJOT-KRWDZBQOSA-N 483.981 5.015 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1820966235 FMJMQTZNYFGHSQ-FHZYATBESA-N 488.032 5.296 30 20 JKED Cc1cc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1F 1823204445 YAKZLLBCCSVWAP-HXUWFJFHSA-N 483.906 5.141 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216214 DVDKTNNODONSRW-HOYKHHGWSA-N 473.552 5.033 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)c12 1823216846 OYVAADWJNAQKCH-UZUQRXQVSA-N 496.571 5.146 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)C(C)(C)C#N)CC3)ccc21 1823885320 PNDZBNLCXODJOM-VWLOTQADSA-N 484.644 5.597 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Br)ccc3F)CC2)cc1 1823931695 GLJDHVXUMNQDOE-HSZRJFAPSA-N 498.396 5.007 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1824502096 VQONHDJJAREPML-BTUGVJQXSA-N 470.679 5.203 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 1824504842 GEBOGFPEBMKACS-VNRZQXBUSA-N 454.655 5.027 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)CC1 1825099929 FNNQIZVOAPIJQR-HSZRJFAPSA-N 493.614 5.645 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)c(F)c3)CC2)c1 1826555838 NOZCMSGQOZMCCH-NIYFSFCBSA-N 479.571 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@H](C)c2ccccc2)CC3)c1 1827701144 TYQWIYWUYKTOEA-SVMVAKDDSA-N 472.614 5.190 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CC2)CC1 1827991132 JTUVUACTEJXVEV-HSZRJFAPSA-N 493.007 5.064 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)CC1 1828169421 MFRXOOFWXOJVIV-HTAPYJJXSA-N 486.454 5.376 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2OC)CC1 1828830463 MLZCFSPDQBREMW-UIOOFZCWSA-N 482.665 5.025 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2Cl)CC1 1828906529 RPYDNLHUHJMVTQ-HSZRJFAPSA-N 474.121 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2SCC)CC1 1829867946 MFCUQCSTPMNURC-NRFANRHFSA-N 457.684 5.419 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3F)CC2)c1 1829892266 QFWDWVWHFBBKHU-UUOWRZLLSA-N 465.544 5.139 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1830606016 KTUKWXQYNNRKLG-XMMPIXPASA-N 497.998 5.297 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccc(C)c4[nH]3)CC2)c1 1830769020 FTMKHWRIVQNYTI-SANMLTNESA-N 468.601 5.204 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831032014 VWFSYSWBLUQIOK-JOCHJYFZSA-N 488.554 5.009 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)s1 1831141477 QWHQNBAWHJYTKJ-HSZRJFAPSA-N 478.662 5.295 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)cc1 1831750359 ACUDIYXHQWABEA-YIXXDRMTSA-N 483.697 5.382 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1832030315 LKPCEJRVWFGWBG-MUUNZHRXSA-N 473.661 5.521 30 20 JKED CCCc1onc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832630482 ITWZGXLFLSINAB-YADARESESA-N 476.621 5.110 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 1832631663 GUBMCVRPJLWCFY-KPURRNSFSA-N 479.624 6.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)c1 1832633411 HSZDPTMRARGQIX-LOYIFYEOSA-N 473.617 5.014 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)c1 1832634824 WFBHNGPMHOTXCY-WXVAWEFUSA-N 487.644 5.486 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832719869 NDYPSIDETQLEQH-HXUWFJFHSA-N 454.920 5.006 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)c[nH]c2c1 1832961749 MFMGNEYQWCPAAL-ATMJUNJVSA-N 480.612 5.295 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)CC1 1835816039 OQKPPFDFAOXUDG-UHFFFAOYSA-N 485.669 5.218 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1844203018 PJQKVKZPZUDTRS-HSZRJFAPSA-N 453.586 5.192 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1CC2(CCCN2C(=O)CCCC#C[Si](C)(C)C)C1 1844253370 YEMZZXBQBPFXHN-UHFFFAOYSA-N 490.720 5.252 30 20 JKED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)cc1 1845410833 FVLMVXHZMVLRDU-UHFFFAOYSA-N 476.020 5.197 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2c(-c4ccccc4)cn4ccccc24)C3)c(Cl)c1 1845488358 ANWNEDNVKDCMDF-UHFFFAOYSA-N 494.982 5.262 30 20 JKED CCc1cccc(CC)c1-n1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1cccnc1 9965909 WIGILICTZIEFBA-SFHVURJKSA-N 482.613 5.445 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nnc1-c1ccc(F)cc1 10498140 TWSYGDOVTJAULZ-SFHVURJKSA-N 450.583 5.190 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1C 11163400 HPZOGGPQFJQQNN-UHFFFAOYSA-O 457.663 6.644 30 20 JKED C[C@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16824980 HFQHYKQKKCAZHF-GETOMWPZSA-N 451.573 5.082 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 21176279 DBYAYZDBHYJRJQ-FBMGVBCBSA-N 495.560 5.726 30 20 JKED C=CCN/C(S)=C(/C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(Cc2ccccc2)cc1 22687179 YUVCYLKQKOKTCP-UHFFFAOYSA-O 456.418 5.586 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nnc(CCCC)s2)c1 23362458 LCZBGMCTLIQRMR-UHFFFAOYSA-N 491.038 5.168 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)CC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 23626054 YYAIDQWFXYCACW-ZFWWWQNUSA-N 459.612 5.154 30 20 JKED COc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)ccc1OCC#N 23739300 XVBWTINPSXGANR-BKUYFWCQSA-N 478.426 5.344 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(Cl)c2C)cc1 28793356 OJTVYEJQRPSKNX-UHFFFAOYSA-O 483.057 6.087 30 20 JKED CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1cccs1 45697376 FLLGAJQZNLYAIO-CYBMUJFWSA-N 457.650 5.205 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 72025297 SSYYLHZSJKAMOR-UHFFFAOYSA-N 489.984 6.529 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 72046206 AJFXBKKBNIBQIM-UHFFFAOYSA-N 450.545 5.211 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)c1cc2cccc(OCC)c2o1 106205369 ALKWIBIQUFQEII-CQSZACIVSA-N 487.350 5.121 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 303236340 ZNXXEKYVKMZPJC-UHFFFAOYSA-N 483.597 5.374 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 303323138 UTEAIJMNJDGKRK-QGZVFWFLSA-N 464.974 5.983 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 410151382 QIEHUIWVXMLQTA-OAQYLSRUSA-N 452.963 5.172 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1cccc(COCC(F)(F)C(F)F)c1 410152259 WEKAWPDXOBVPQP-UHFFFAOYSA-N 456.333 5.583 30 20 JKED COc1cccc(/C=C(\CC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2nc3ccccc3s2)c1 499238287 SLTUFZQEOZXIOL-OVBDPADQSA-N 453.567 5.985 30 20 JKED CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)nnc1-c1ccco1 501168066 ZMFUCYCELUBMLQ-UHFFFAOYSA-N 475.549 5.203 30 20 JKED N#C[C@@H](C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)c1nc2ccccc2n1C(F)F 501312237 PMARVRCQWYKACA-HNNXBMFYSA-N 497.303 5.142 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)N(C)CCC#N)nnc1-c1ccc(Cl)cc1Cl 501554910 UJMUIBHOCWNGSA-HNNXBMFYSA-N 474.417 5.402 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)s2)cc1 503089303 ZGASBDPHIRWYCA-UHFFFAOYSA-N 468.567 5.167 30 20 JKED Cc1ccc(Sc2ccc(C(=O)Nc3nc(C)c(SCC#N)s3)cc2[N+](=O)[O-])cc1 504691331 HAEYJNUDDMZPIY-UHFFFAOYSA-N 456.574 5.687 30 20 JKED Cc1nn(C(F)F)c(C)c1CC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 504716433 POYNFNYKPZFSLE-UHFFFAOYSA-N 489.391 5.843 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 507878122 NNQKHHYCCBJJLI-UHFFFAOYSA-N 470.554 5.030 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)cc1 508140451 BAYWJQPKBUYULU-UHFFFAOYSA-N 463.628 5.810 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 508975036 AVLXITIMMOKHAM-UHFFFAOYSA-N 483.437 5.834 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 509710364 CWRUCDKVCHHSPJ-KETZHDHUSA-N 454.530 5.642 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1Cl 510007706 WPFDQIXARJXUPU-GMAHTHKFSA-N 481.021 5.252 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCC3(c4ccc(Cl)cc4)CCOCC3)c2)c1 510647332 SPHKHEUJDTXOEP-UHFFFAOYSA-N 488.975 5.334 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 510748025 DXCGJJOAGNVSIT-QFIPXVFZSA-N 484.556 5.409 30 20 JKED C[C@@H]1CCCN(Cc2ccccc2CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 511414021 JOUANEMMZUEYLF-HSZRJFAPSA-N 482.628 5.885 30 20 JKED COc1ccc2ccccc2c1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511422326 SQKRZDPHQNEFKK-UHFFFAOYSA-N 451.526 5.815 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 512916352 IOJDOXXHLJOFEG-HNNXBMFYSA-N 477.417 5.778 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 513666026 JKJLXXHPCDHDFP-INIZCTEOSA-N 474.567 5.080 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 514535002 CNOPZDKWRPTGOW-UHFFFAOYSA-N 471.523 5.114 30 20 JKED C=CCn1c(Sc2ncnc3scc(-c4ccc(OC)cc4)c23)nnc1-c1ccoc1C 514652911 QNNWVKWMNWZWQK-UHFFFAOYSA-N 461.572 5.864 30 20 JKED Cc1nn(-c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)c(C)c1Cl 515653057 DPUXTFBWJAUEMO-UHFFFAOYSA-N 470.960 6.040 30 20 JKED CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1S[C@H](C)CC#N 518127464 ZIQMSKYGUGFDKI-CQSZACIVSA-N 461.381 5.454 30 20 JKED CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518155535 HCRCLNHKFXERSN-HYVNUMGLSA-N 455.546 5.227 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 518168502 JILAVCFAXLRFHY-IRXDYDNUSA-N 473.440 5.349 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3 519413086 AEQKSCJMDUWZFN-ZDUSSCGKSA-N 470.645 5.258 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 520470867 SLZXBXGOTSNBMM-UHFFFAOYSA-N 485.475 5.342 30 20 JKED COCCN(C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 520940089 CZSCSBPRYCCIFJ-SJORKVTESA-N 465.541 6.341 30 20 JKED Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 521260806 JDPFMAOSIPXLQH-INIZCTEOSA-N 483.590 6.636 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 524250480 DDPGNQSIEHBUMI-UHFFFAOYSA-N 497.576 5.499 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 524439187 KVKVRIXXOHIGNL-UHFFFAOYSA-N 486.547 5.467 30 20 JKED C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 524565125 IMAPZISDFUDHMN-MSOLQXFVSA-N 476.577 6.212 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 588089813 FHGHCIABVNOPIZ-KBPBESRZSA-N 492.391 5.290 30 20 JKED N#Cc1ccc(N2CC[C@H](Sc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)C2=O)cc1 589716139 RPVRUPPRYQTCKR-NRFANRHFSA-N 475.961 5.009 30 20 JKED COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 589831292 ZYWXEVZHESTNGW-GOSISDBHSA-N 490.313 5.341 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)n1 594739762 LWTMIIZEZHVZQS-FQEVSTJZSA-N 494.542 5.802 30 20 JKED CSCc1nc2ccccc2n1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603765977 HBRQWQLHWMWPMK-HXUWFJFHSA-N 460.990 5.847 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603960204 GZQMNQJLLAWULA-UHFFFAOYSA-N 485.521 5.670 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCC(=O)N2CCc3sccc3C2)cc1Cl 603962060 BUBUKZVOWXPFLH-OAQYLSRUSA-N 463.990 5.361 30 20 JKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)CC3 604218099 HULKTIBAAUFIBC-QFIPXVFZSA-N 482.971 5.309 30 20 JKED COc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c(Br)c1 604568875 GBKVGNBEQVDUTE-UHFFFAOYSA-N 453.292 5.383 30 20 JKED CCOC(=O)c1cnn(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)c1C(F)(F)F 608915803 VQJGFKRPYLHRBF-UHFFFAOYSA-N 499.493 5.382 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)c2)cc1 608994402 LWWAYPGYVAGYNM-RUZDIDTESA-N 479.939 5.730 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 609006922 XZIQJJWYKPQCCU-DEOSSOPVSA-N 499.567 5.183 30 20 JKED CCOc1c(Br)cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1OC 609027905 HVIOBMNNJTUKHD-QFIPXVFZSA-N 495.373 5.430 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 609071112 RPRRVQYLOVDIGI-SANMLTNESA-N 486.568 5.319 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 609078578 AUDXGBLLJWLFEQ-FQEVSTJZSA-N 468.557 5.455 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4cccc(F)c4)c4ccncc34)CC2)nc1 609123929 YILLOQAKRNTNRW-UHFFFAOYSA-N 482.519 5.223 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 609151663 NCYFIHMEZQBRDN-DEOSSOPVSA-N 459.933 5.176 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CCc3ncc(-c4ccccc4Br)o3)c2)cc1 609176490 MYSIELKYCODOBP-UHFFFAOYSA-N 488.341 6.339 30 20 JKED CCC(CC)CN(CCC#N)C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 609187402 YECSHTAYCQNNHD-UHFFFAOYSA-N 492.439 5.042 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 609430573 OAOXTPUMRFRPNZ-MRXNPFEDSA-N 455.543 5.462 30 20 JKED O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H](O)Cc1cccc(C(F)(F)F)c1 622485064 CTMAOVFIBFEJNK-LSDHHAIUSA-N 459.308 5.047 30 20 JKED Cc1nc2c(cc1C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)c(C)nn2C 642281813 RSNWYOFMBMJEQL-MRXNPFEDSA-N 456.358 5.506 30 20 JKED Cc1c(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1F 642298344 XAYXOXBYQSYGJF-QWRGUYRKSA-N 455.349 5.098 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 726393172 MZCSGGVYUISZSY-JPYJTQIMSA-N 461.587 5.225 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 726396236 DDPZPLNIVMWPCK-LIRRHRJNSA-N 497.514 5.230 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(CC[C@@H](C)OC)C1=O 726399722 NREHBEZRRBCJJM-WZONZLPQSA-N 483.634 5.204 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C#N)c(Cl)c1 726406891 MTJFDQLSVWDYIG-SFHVURJKSA-N 494.926 5.601 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)c(F)c1 726415040 DWHHYGJZOCXJQK-QFIPXVFZSA-N 463.534 5.134 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(C2CC2)C1=O 726421518 NLEMSWCCWYLWCL-QGBHTJAESA-N 457.621 5.089 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C\c3csc(N(C(C)=O)c4ccc(Cl)cc4)n3)SC2=S)c1 726627552 ROUSEDZAZHVEIL-UDWIEESQSA-N 496.038 5.868 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2ccc(Cl)c(Cl)c2O)nc1 727648423 DPDDUVWSOPAPGY-UHFFFAOYSA-N 479.389 5.145 30 20 JKED COc1ccc(-c2cc3[nH]c(/C(Cl)=C\c4ccc(O[C@H](C)C#N)cc4)nc(=O)c3s2)cc1 728698145 DYQQSPFFHXQIEE-HIPSJFSSSA-N 463.946 5.688 30 20 JKED CCCCCCc1ccc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cc1 728704777 LSYJWSCWCCECLF-UHFFFAOYSA-N 451.364 5.641 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 728766552 BXBXNVYNEAJZQO-HNNXBMFYSA-N 492.413 5.088 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nnc(-c4cccs4)n3C3CC3)n2)cc1 728770489 ULBNPMBETZQIKQ-KRWDZBQOSA-N 488.623 5.305 30 20 JKED COc1ccc(Br)cc1-c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1 729766486 JAGTWGQAWSMGAG-UHFFFAOYSA-N 482.359 5.416 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CCC2)C1=O)Nc1ccccc1F 730460055 TXKCVZGDBRGYCV-GOSISDBHSA-N 465.472 5.357 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCOCC3CC3)C2=O)c1 730944523 XOHKFUOQZZCWTB-QFIPXVFZSA-N 486.037 5.344 30 20 JKED N#C[C@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1cccc(Cl)c1Cl 731196078 WRULSZOPVMIOGT-BMANGOCTSA-N 496.466 5.417 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)cc1C 731310701 NTXURILOPBMMBY-DEOSSOPVSA-N 495.645 5.319 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C#N)c(Cl)c1 731315669 KHIUXOIZXPDXMC-HXUWFJFHSA-N 470.982 5.068 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCOC1CCCC1 747042717 HWJPOBUCCRJSTM-QHCPKHFHSA-N 483.609 5.444 30 20 JKED COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)cc1 747434766 QVSSHGRPBGVAAG-BAOGPQIGSA-N 463.541 5.339 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N([C@@H](COCC(C)C)c2ccco2)C1=O 750911303 PFXBVHBZRNLAJY-AZUAARDMSA-N 492.041 5.031 30 20 JKED CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 779182797 AAGJDXCMFJFMDU-GOSISDBHSA-N 458.539 5.237 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1c(-c2ccccc2)[nH]c2ccccc12 839413964 FLNNUOXPFDFDCH-UHFFFAOYSA-N 469.570 5.575 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 915022232 YQIMFCIKPKJIIO-OAQYLSRUSA-N 469.541 5.048 30 20 JKED CN(Cc1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)C(=O)C(F)(F)F 915071847 YUVMXWUISSBINS-UHFFFAOYSA-N 472.307 5.497 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 915180186 LOMNEPYQMNIWSM-DEOSSOPVSA-N 487.471 5.278 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916213461 DFVQYCIYMDBWAA-KRWDZBQOSA-N 479.345 5.024 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 916911587 NKGHSGFCGXDRIH-GOSISDBHSA-N 496.748 5.316 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 916932147 QYJUFFBMMNUCAC-OAHLLOKOSA-N 462.720 5.582 30 20 JKED N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977689 WTJIVYGEKBMQCL-GOTSBHOMSA-N 485.996 5.681 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc(-c2ccccc2)cs1 917026106 WLAVXCGAGOEUCY-SFHVURJKSA-N 480.412 6.115 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 917119446 GFEMIRFGSGJNMU-MGPUTAFESA-N 452.341 5.406 30 20 JKED N#CC1(c2ccccc2)C/C(=C\c2csc([N+](=O)[O-])c2)C(=O)/C(=C/c2csc([N+](=O)[O-])c2)C1 917144325 GAIXNASGVUOSCT-PGUOUAKWSA-N 477.523 5.917 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 917668687 FQASBQDQPVVDLN-NTKDMRAZSA-N 487.629 5.178 30 20 JKED CC(=O)N(c1nc(COC(=O)CSCc2ccc(C#N)cc2)cs1)c1ccc(C)cc1C 919210979 UXTJTMYNFFBERS-UHFFFAOYSA-N 465.600 5.293 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)Nc1cccc2ccccc12 920109410 FMJJJBBUTRIHAO-XMMPIXPASA-N 487.515 5.728 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)Cc1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920110132 LPCBIBJVTOJWNJ-QFBILLFUSA-N 490.437 5.588 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 920143276 VDOYKSLXSFNZDW-LJQANCHMSA-N 481.503 5.188 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2cc(C)on2)C1=O 920353915 WNYOWRYURJUYID-HSZRJFAPSA-N 492.601 5.276 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 920356225 ROMKALHZTRSPFC-XMMPIXPASA-N 490.629 5.686 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2C#N)no1 920359965 RURCGSRLSURFDS-XMMPIXPASA-N 495.564 5.168 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 920783579 PGCDNYQUUPMDLR-RRPNLBNLSA-N 455.558 5.564 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2ccccc2Br)cc1[N+](=O)[O-] 920905458 QLUHTARUXWVRNJ-CQSZACIVSA-N 499.321 5.061 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)COCC(F)(F)F 921254412 WABGFZOVSBRSBR-HNAYVOBHSA-N 497.514 5.062 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1786203430 YCGFWJLXXMMUTN-ACCUITESSA-N 475.614 5.199 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)nc1 1786868136 HSXHGVIAYHMZHW-UHFFFAOYSA-N 472.976 5.296 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccnn3-c3ccccc3)CCC2)cc1 1788649624 OGBSQZGOESVFKS-BUHFOSPRSA-N 496.592 5.121 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cc5cccc(F)c5s4)cc3)CCC2)c1 1788982947 AHKMTTNOWXMTEB-UHFFFAOYSA-N 458.518 5.302 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3csc(-c4cccnc4)n3)CCC2)cc1 1789453910 IFXGBQUDSXAHQB-QFIPXVFZSA-N 472.614 5.721 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1789625607 LFOCXIXSTKBNPS-JOCHJYFZSA-N 495.664 5.370 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc5occ(-c6cccnc6)c5[nH]4)cc3)CCC2)C1 1789991321 JFOFVQFXOJOYJT-UHFFFAOYSA-N 466.541 5.537 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790002721 SCRWQRHXAFDWRL-SFHVURJKSA-N 488.613 5.703 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)CCC1 1790810687 KTXXWBXBXLDRJQ-INIZCTEOSA-N 480.552 5.474 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3Cl)CCC2)cc1 1791300464 JCPSEWZPRYJFOJ-UHFFFAOYSA-N 498.755 5.457 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nc(Br)sc2c1 1798159901 JAAFMZXKETWQFP-BJWYYQGGSA-N 490.467 5.303 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1C(F)(F)F 1799707104 COROUDDDNMUTKW-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800009589 RILDLLZZNGMBIA-FLQYYVGBSA-N 480.052 5.648 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)cc1 1801203412 IXKATBOYQQRKAH-KOUNCHBCSA-N 463.537 5.218 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CCCCC1 1801585434 YUIGLBVFYCRPBJ-BKFWDETESA-N 473.057 5.163 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1802856064 RQJCZPNUALJJSF-GBXCKJPGSA-N 472.004 5.115 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1803083985 LLRQQBABXDSKST-QPPBQGQZSA-N 477.605 5.523 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)c1 1803679170 MMRDAICLFOZEFU-YEHREXKJSA-N 478.596 5.250 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(C(F)(F)F)c1 1803861033 XEYIEADNLZDJQB-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)C1 1806015173 OCXIQCKCQBACMP-JYFHCDHNSA-N 454.655 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1806087963 RJPNHYSNXQDXAR-NZQKXSOJSA-N 476.646 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2oc3ccccc3c2C)[C@@H]1c1cccnc1 1809161171 OJBDJPGRUAPXLT-FBLLAGFSSA-N 457.574 5.224 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1809552882 SNHCGNAPIKJWCJ-XDXGNBCUSA-N 478.036 5.313 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)ccc4F)CC3)C2)c1 1810341736 MHHQOOXXIDFOJZ-UHFFFAOYSA-N 496.586 5.226 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccnc3s2)[C@@H]1c1cccnc1 1810500294 NYQLUMNOLFURSG-RBBKRZOGSA-N 462.619 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1811159419 HDPYIUIAOHNCDG-SHQCIBLASA-N 482.628 5.456 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@](C)(OC)c2cccc3ccccc23)[C@@H]1c1cccnc1 1812591037 YFYQPAKSUXVPIK-TWMKSJLASA-N 485.628 5.015 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cl)c2Br)[C@H]1c1cccnc1 1812592634 RLBUTKGAMRPISZ-WJPUGNRLSA-N 490.829 5.029 30 20 JKED Cc1ccc(C)c(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1813773154 NQQSCRPESOAWDP-SHQCIBLASA-N 475.709 5.069 30 20 JKED Cc1cc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)c(C)c1 1813789875 MRUZMHGBCCRNSH-CVTPTMSISA-N 480.612 5.267 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1c1cccnc1 1814286502 GQUVLERVWPOQSH-NYEVAOKNSA-N 471.645 5.202 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1819254910 YRAPFJONYRDUKF-UWJYYQICSA-N 493.658 5.149 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)[nH]n1 1819309038 KSPDNLDSTQPBHT-VBKZILBWSA-N 462.928 5.416 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1819359964 JVLOHLMTRNPQHE-XPNTWCBSSA-N 487.044 5.068 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccn3c2)[nH]n1 1819384988 FKNKIMYVHIKNPU-HXUWFJFHSA-N 481.698 5.081 30 20 JKED C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1)Oc1ccccc1 1819387067 XGRVJKFOFADJKW-ZJSXRUAMSA-N 494.712 5.311 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)[nH]n1 1819554507 DHJXVQSWKKZWJX-QHCPKHFHSA-N 465.642 5.513 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=C/c1cc3ccccc3o1)CC2 1819599485 GDJQOIHUVVEQBP-ACFASDOASA-N 461.587 5.283 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1)c1ccc(Cl)cc1 1820481768 OGPGGFGRZHXGQT-AOMKIAJQSA-N 461.953 5.044 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821070549 KDRUEEKYIRJEED-ACJLOTCBSA-N 479.806 5.344 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c(Cl)c1 1821279482 COFCXNRIBCIRQI-VIRVFLBCSA-N 465.985 5.067 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)c1 1821324897 HJFMXQRPEIKXRS-JOCHJYFZSA-N 487.947 5.609 30 20 JKED C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)Oc1ccccc1 1821785042 XVQCZPKVPCSYJJ-VGOFRKELSA-N 491.979 5.098 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n[nH]1 1821856063 QCTFYRNPAMGJPG-QFIPXVFZSA-N 485.028 5.160 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)[nH]n2)c1 1823211324 LUYCZOYFOGVFBP-OSPHWJPCSA-N 491.542 5.254 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)[nH]n2)c1 1823211326 LUYCZOYFOGVFBP-XDHUDOTRSA-N 491.542 5.254 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(C)c1 1823216078 ABBLPNYRBDEJOV-DVECYGJZSA-N 485.588 5.282 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)[nH]n2)c1 1823217515 LPEUIPOKMDWDKU-VBKZILBWSA-N 497.386 5.358 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1823753171 WJPZTAADEMBHAA-VIOKTNGOSA-N 456.652 5.099 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1824240464 AUVNYABDUHAKHK-KAYWLYCHSA-N 457.618 5.231 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)CC2)c(Cl)c1 1824328061 LEQNHVVCOJAETI-QFIPXVFZSA-N 477.983 5.270 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(F)c2)CC1 1824444022 YQOWEFVXFHBMHJ-XMMPIXPASA-N 477.020 5.246 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1824500379 ICSXVMPPSBDBOA-QHCPKHFHSA-N 472.029 5.037 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1825783655 MLHXUMUNWJXOMT-QFIPXVFZSA-N 458.744 5.341 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)CC2 1826037700 QAGJRYZPPPDVGS-QGZVFWFLSA-N 467.978 5.086 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1)C(F)(F)F 1827520061 PMBKMXRJUBAWBW-IBGZPJMESA-N 481.946 5.482 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1)C(F)(F)F 1828166809 SQZOWXCVTHVVBV-FQEVSTJZSA-N 479.930 5.240 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)CC2)cc1C#N 1828319676 IWAITGWFUVUUSX-SANMLTNESA-N 498.627 5.374 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c1 1828673730 PDRYSJOMUCQGNB-DEOSSOPVSA-N 472.614 5.024 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C)c3ncccc23)CC1)c1ccccc1 1828750206 RASYENSSDIVGEJ-LEAFIULHSA-N 496.655 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1 1828825462 WWDKRBGSDFXUFZ-IZZNHLLZSA-N 482.665 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(Br)c2)CC1 1829069474 YYMLYKNVBZKBID-HXUWFJFHSA-N 476.459 5.070 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccsc3)CC2)c1Cl 1829688033 OQSZLXZCLKHKSV-VQKOGROQSA-N 468.022 5.220 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829783971 IQMGCDYOFQBEHG-ZCYQVOJMSA-N 483.653 5.075 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c1 1829954655 IZDNEQDRUMZARU-JIMJEQGWSA-N 476.020 5.249 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1830472180 RYRJCIRAKJJFQT-FQRUVTKNSA-N 461.581 5.308 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c(Cl)c1 1830720580 BNLAZBQKNWROSO-DGWZTRNLSA-N 494.010 5.388 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc3ccccc3o2)CC1 1830852436 XKZHXHLRXIQBOX-QHCPKHFHSA-N 479.697 5.112 30 20 JKED C=CCCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccncc34)CC2)c(O)n1 1830860868 KUEWYBAUQMFZEH-MHZLTWQESA-N 498.627 5.001 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C/N=C/c4ccco4)CC3)sc2c1 1830979037 OHFAPVSFSAKMHE-ZVMZLPNLSA-N 477.630 5.155 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831238880 GPZUGLJYFURUQQ-MBSDFSHPSA-N 481.464 5.137 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)C1 1831303561 YCDFRJCAAJYPBH-XMMPIXPASA-N 455.042 5.348 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1831446967 AGNSXOPTTGTAIC-IBGZPJMESA-N 476.461 5.289 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1)C(F)(F)F 1831452409 DEOFZUREKGJHJX-FQEVSTJZSA-N 477.552 5.162 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1831846268 YKSUONOMBXMIGP-OSPHWJPCSA-N 472.601 5.183 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832703187 HLWGOTCMOMYUKH-IZZNHLLZSA-N 477.649 5.347 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2ccccc2Cl)cc1 10827904 YDAPLFROVVJUJR-UHFFFAOYSA-O 499.056 5.753 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2scc(-c3cccs3)c2c1=O 11382639 DVUCKDAUVNTIIN-UHFFFAOYSA-N 481.624 5.306 30 20 JKED C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)OCc1ccc(C#N)cc1F 11539852 DBEVRUPSPDMAJC-AWEZNQCLSA-N 479.558 5.027 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccc(F)cc1 16835650 KZNIGJRVMLYCJB-CYBMUJFWSA-N 461.360 5.152 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@H]1COc2ccccc2O1 21088554 XLMIBOSNVUQKGU-GOSISDBHSA-N 477.373 5.014 30 20 JKED CCc1cccc(C)c1NC(=O)COC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 21143568 POTJWGJEGBDVCV-GOSISDBHSA-N 486.597 5.201 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3Cl)n2N)c1 21656755 YTOXEWNRJGFAGZ-OAHLLOKOSA-N 489.432 5.010 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 21673370 YAVBXPBTJDWCOM-ZDUSSCGKSA-N 464.925 5.505 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NCCc2ccccc2)cc1 22735406 XEPNMTQHNMAUFM-UHFFFAOYSA-O 467.605 5.927 30 20 JKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 23352021 ISXYMDIKANLZJR-HNNXBMFYSA-N 474.417 5.317 30 20 JKED Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1-c1ccccc1 24014425 RJJROCNNQNTIDG-SFHVURJKSA-N 475.549 5.402 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)c2)c1 32288488 RJSGHKGTIJOVFN-UHFFFAOYSA-N 483.549 5.190 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 72025298 XHNIBWMOAVOZIK-UHFFFAOYSA-N 484.581 5.338 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 78720038 ZMNCYDRADQTXHR-CQSZACIVSA-N 461.534 6.404 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(-c2cccs2)n1 109906346 LMPFPTNBWFBWFM-UHFFFAOYSA-N 451.386 5.531 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 116589050 BKFALANGLQHSLJ-LJQANCHMSA-N 488.519 5.381 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)cc1 254313302 RVLSHSCGASENCK-FQEVSTJZSA-N 469.950 5.102 30 20 JKED aggregator CCOc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OCC 255947214 MLGQIYCOYFXAAY-LJQANCHMSA-N 460.599 6.139 30 20 JKED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 303121042 PVQSRWZBLQNKIR-GOSISDBHSA-N 489.409 5.142 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 409833752 SYNKSEFNDGIQLO-UHFFFAOYSA-N 478.430 5.653 30 20 JKED N#C[C@@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc2cc(Cl)ccc2s1 481878422 DZAQXOGAERAHDD-HNNXBMFYSA-N 463.868 5.585 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1cc(C#N)ccc1OC 495380850 SDDDFXDNRUPTGO-UHFFFAOYSA-N 451.548 5.270 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S[C@H](C)CC)cc3C(F)(F)F)cc2C1=O 499568470 BZHJBMGFYPSKKN-CYBMUJFWSA-N 462.493 5.630 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 502864272 SVCMWBXLAOFKPI-INIZCTEOSA-N 498.505 5.794 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 503205421 ZTCJWRLTIGIFLO-UHFFFAOYSA-N 481.581 5.685 30 20 JKED COc1ccc(CCC(=O)N2CCCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 505309551 FDHIZRAWTZKVNH-UHFFFAOYSA-N 499.636 5.025 30 20 JKED C=CCn1c(SCc2csc(CC(=O)OC(C)C)n2)nc2sc(-c3ccccc3)cc2c1=O 506619567 WTMMDNWVYZFWGB-UHFFFAOYSA-N 497.667 5.554 30 20 JKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509847763 AYUGJJKILZJCCO-UHFFFAOYSA-N 459.546 5.403 30 20 JKED CC(C)COc1cccc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 510198210 HUBIMECNXILISU-UHFFFAOYSA-N 473.598 5.254 30 20 JKED C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCc2cccc(C#N)c2)nnc1-c1cccs1 510367797 UHGZMGAZTYTUDE-USNOLKROSA-N 477.659 5.284 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc2Cl)cc1 510620492 VOQQMTAWIVSHKH-NRFANRHFSA-N 451.910 5.810 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 511762226 KVWNJVDLGVWPBT-JOCHJYFZSA-N 481.643 5.419 30 20 JKED CCCN(C(=O)CCc1ccc(C#N)cc1)c1cccc(NC(=O)CCc2ccc(C#N)cc2)c1 512318571 BLSOFASXSITQRJ-UHFFFAOYSA-N 464.569 5.377 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc4ccccc4s3)nn2-c2ccccc2)cc1 513687388 RQMAAKCSYGJQLM-FQEVSTJZSA-N 450.523 5.648 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 515653019 BTAADMHHUWDGTD-UHFFFAOYSA-N 476.532 5.580 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1Cl 515897671 SHNDILORPRUPDK-IAPPQJPRSA-N 493.994 6.034 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 516081574 TVEGHGUSORSTPJ-NTKDMRAZSA-N 459.977 5.770 30 20 JKED C=CCN(C(=O)CS(=O)(=O)CC(C)C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 516463912 AZWWFZTZUGQSJN-UHFFFAOYSA-N 454.617 5.067 30 20 JKED C[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F)c1ccc(C#N)cc1 516836983 MKEHJSWJCXZWRJ-IVZQSRNASA-N 452.327 5.610 30 20 JKED Cc1ccc(NC(=O)[C@@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c(Br)c1 517460556 KNEZRQGIXQGXRA-CYBMUJFWSA-N 486.357 6.221 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)[C@H](C#N)c4nc(-c5ccncc5)cs4)c3)cn2c1 517891420 KBKNTXNLZUJIKU-QFIPXVFZSA-N 465.538 5.230 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 518074187 YOVXSGSNSJOTAU-GJZGRUSLSA-N 462.662 5.048 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCc1csc2ccccc12 519441869 SEZRXWPMWBTBRZ-UHFFFAOYSA-N 477.533 5.223 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1NC(=O)c1ccco1 521264678 KERCLXLTCPHUKO-HNNXBMFYSA-N 463.465 5.732 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(S(=O)(=O)N2CCC(C)CC2)c1C 548946862 ROPSBTSMDLBZPT-QFIPXVFZSA-N 493.654 5.338 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2cccc(F)c2)CCCCC1 553319816 DJUFNPWRCUSWFJ-GOSISDBHSA-N 453.583 5.177 30 20 JKED C=CCn1c(SCC(=O)NCc2cc3ccccc3[nH]2)nnc1-c1ccc(Cl)cc1Cl 554245994 DWUYGHABNQSXOC-UHFFFAOYSA-N 472.401 5.328 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H]3CN(Cc5ccccc5)C[C@@H]43)c2)cc1 594669681 WDZDMISEDGARFK-KULMNKMISA-N 463.581 5.333 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccncc3)C4=O)c2C#N)C1 602285547 YLRIOSOEIXCDMG-SFHVURJKSA-N 498.608 5.214 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)cn2)cc1 603689503 NOVDCLIUWMLVKY-UHFFFAOYSA-N 496.354 5.042 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](C)c1cccc2ccccc12 603701062 RSUAVDHKGOJRME-GOSISDBHSA-N 450.498 5.023 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603764680 MUHGSECHIQJYEI-UHFFFAOYSA-N 454.486 5.111 30 20 JKED COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 603818670 ZSXFMMULYYNNDN-ZDUSSCGKSA-N 453.951 5.483 30 20 JKED Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2)n1 604089577 FRDUMKOBGGSVIO-IBGZPJMESA-N 489.963 5.590 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 604129669 OCQNPVIJKXVUSL-RUZDIDTESA-N 464.972 5.214 30 20 JKED C[C@H](OCCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 604139449 LIOKVGLRNYXMLY-YADARESESA-N 475.976 5.218 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC1 604471881 HHVDPLLFZWTDIE-UHFFFAOYSA-N 490.610 5.486 30 20 JKED COc1cccc(N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)c1 609080655 REEKJZUKSQXFGD-UHFFFAOYSA-N 476.964 5.153 30 20 JKED COC1CCN(C2(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CCCC2)CC1 609355768 WOBNNGSRIFYIRN-XMMPIXPASA-N 481.040 5.541 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccccc1F 609370912 JAQZGEKMVLEDCR-INIZCTEOSA-N 467.595 5.253 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 609370916 JFOWHWRDWFHJJI-CYBMUJFWSA-N 459.597 5.403 30 20 JKED N#C[C@H](C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319708 LNCKPDCWNKGYFW-JOCHJYFZSA-N 493.009 5.927 30 20 JKED C=CCN(C(=O)COc1cc(C(C)C)ccc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614252964 AHNIIIAKZOLGDP-UHFFFAOYSA-N 484.643 5.243 30 20 JKED O=C(c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 622499333 SKRCYCDSBCPION-SFHVURJKSA-N 487.375 5.263 30 20 JKED O=C(CCCc1ccc(O)c(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517286 FRYNJMLOAMUVOS-LJQANCHMSA-N 479.392 5.492 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 642031862 NMOGZYNHOOEFGK-UHFFFAOYSA-N 469.344 5.125 30 20 JKED O=C(NCc1cccnc1Oc1cccc(F)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642792138 PSLUPBCZOUZLJM-KBPBESRZSA-N 479.396 5.722 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)N(C)C)CC1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 643111035 NGMKOLPYVQDJTR-UHFFFAOYSA-N 474.630 5.390 30 20 JKED CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726073767 HIASSTVLEGENFF-MUUNZHRXSA-N 478.596 6.874 30 20 JKED CC(C)Oc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(OC(C)C)c2)cc1 726412670 SQLPHSFPTNPGPT-DEOSSOPVSA-N 495.645 5.061 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@@H](C)c1cccs1 726423335 YYNFBFIZDJAMOV-UWLNQGPOSA-N 455.527 5.177 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3cc(C)c(Cl)c(C)c3C2=O)cs1 727780056 GAXRQEXCTBRTFG-DHDCSXOGSA-N 456.926 5.896 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)c1 728182567 YNTPJTPZRMUGHH-HXUWFJFHSA-N 470.598 5.816 30 20 JKED COc1ccc(/C=C2\N=C(SCc3ccc(F)cc3C#N)N(c3cccc(OC)c3)C2=O)cc1 728442164 XNZLTDARJZYRPV-MSXFZWOLSA-N 473.529 5.392 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1C 728777009 HSEWHGGAJJPHGS-OAQYLSRUSA-N 470.545 5.236 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)c1 728777039 IGWAKZQLMVSZIP-HXUWFJFHSA-N 470.982 5.003 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3scnc3C)C2=O)c1 729144892 ZXDDOGIVSHLGMF-HXUWFJFHSA-N 494.642 5.237 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1)c1cccs1 730463397 WXLUWEVMDWZTSO-CQJAUTPNSA-N 481.565 5.709 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=Nn1c(S)nnc1-c1ccc(F)cc1 730550097 VLWOTAMCYQXDLV-UHFFFAOYSA-N 461.353 5.115 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1nc2cc(Cl)ccc2s1 730686695 HXHUUNYYNSOUCK-CYBMUJFWSA-N 462.358 5.200 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730709009 MCYSJKDBXIHLMA-JOCHJYFZSA-N 474.517 5.127 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1cccnc1 730943602 HDCGXZANNZNVFK-SBUREZEXSA-N 476.577 5.505 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 730944552 BXNZTIHCKLVQTI-XDHUDOTRSA-N 488.588 5.431 30 20 JKED Cc1ccc(C)n1-c1sccc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731064871 SBFDXKGBZBCMPW-QGZVFWFLSA-N 453.589 5.345 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2cccs2)cc1 731305334 JRQWUGAJDJWZJM-QFIPXVFZSA-N 495.626 5.055 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2c(F)cccc2Cl)C1=O)Nc1cccc(O)c1 731306020 IQKJAYPXWGCPHR-OAQYLSRUSA-N 483.952 5.345 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C 731310680 NHJXTUMZNGPHAN-XMMPIXPASA-N 489.597 5.008 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(Cl)s1 731312691 OFDUPJFFCFHFJO-LJQANCHMSA-N 497.001 5.139 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCO[C@H](c3cccc(Br)c3)C2)c1=S 748797452 NHYQWICQDTXWAA-FQEVSTJZSA-N 489.414 5.200 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 749125403 HXJDJPXRHAYCQF-UHFFFAOYSA-N 485.359 5.077 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)NC[C@H](CCC)c3ccc(Cl)cc3Cl)cnc21 791560281 FJRZOLDRUTWFBB-ZDUSSCGKSA-N 497.473 5.182 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N([C@H](C)c2ccccn2)C1=O 837299298 FXUWTTDRNGGVIK-NTKDMRAZSA-N 488.613 5.429 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@H](C)c1cccnc1 838227372 ZFEHKRPHEFIQCP-NLFFAJNJSA-N 486.641 5.982 30 20 JKED O=C(Nc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1Cl 880530037 DPHCTXXCXZQPKN-UHFFFAOYSA-N 496.910 5.548 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2C)c1 913118566 XRMOQWRVVIVXSD-DEOSSOPVSA-N 486.597 5.114 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Br)c2)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914553581 DVCHZJMHGFGACE-UNMCSNQZSA-N 498.446 5.201 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)Cc2ccco2)C1=O 914694832 WHLXLIFDNMDQAP-OPAMFIHVSA-N 481.549 5.019 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cccc(F)c3)C2=O)cc1 914772957 RUYMWBYGMBOMAY-QHCPKHFHSA-N 493.535 5.328 30 20 JKED COc1ccc(-n2c(-c3cccc(OC)c3)nn(CN(C)Cc3ccc(C#N)cc3)c2=S)cc1 914783375 ZYBWPIWEEJMLND-UHFFFAOYSA-N 471.586 5.049 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915729198 GSTCPTJELHKZCE-VSGBNLITSA-N 475.548 5.195 30 20 JKED CC(=O)Nc1ccc(/C=C2/CN(CCc3ccccc3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 915990703 VXPAUMRHAAVIKI-ZBPHXBQNSA-N 493.607 5.198 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@H]2CCCO2)c1 916204710 ADOIYLUNRLONCY-NQIIRXRSSA-N 472.010 5.096 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1cc(C)c(Br)cc1C 916899630 KXGLINQGIWMLTL-SFHVURJKSA-N 473.436 5.630 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(Cl)c1 916939564 PMKGVUWYWOIAJZ-QLTUCANCSA-N 478.751 5.877 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1cn(Cc2ccccc2)c2ccccc12 917029624 HUCXCCSWKXLPKU-UHFFFAOYSA-N 453.571 5.518 30 20 JKED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047136 RRZOVZKLXLAXPX-SJLPKXTDSA-N 455.967 5.262 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 917426221 KWSDLLBHHSAXRH-MRXNPFEDSA-N 474.405 5.087 30 20 JKED C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)c1 918328711 BKPDXENWXBNONJ-UHFFFAOYSA-N 486.622 5.151 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c1 920353125 BFCQMTUDAVOBOL-NRFANRHFSA-N 484.528 5.039 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCO[C@@H]2c2ccccc2)C1=O)Nc1ccccc1 920356349 SVJRCXSFFZGTQC-BUALBWRZSA-N 499.636 5.815 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1 920371395 IRRFMXGOSDOBCV-UHFFFAOYSA-N 462.428 5.446 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1C 920893488 WMWPEGZUYLBRGO-NRFANRHFSA-N 472.589 5.696 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC2CCC2)c1 920927002 CSMJEUJEUKSWGX-HXUWFJFHSA-N 475.536 5.774 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N\C[C@H](c1cccs1)N1CCCC1 920944497 YEJGDDHZOGTKHT-RKQRPNFGSA-N 458.219 5.235 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)CCC2)cc1 1785842989 NBRJGHRRJRHDQP-DEOSSOPVSA-N 479.596 5.129 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cnnc(Cl)c4)cc3)CCC2)cc(C(F)(F)F)c1 1786975739 HNBUYLWLFUDYRG-UHFFFAOYSA-N 499.880 5.082 30 20 JKED Cc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1787424326 YZHFKRLTGMXKKU-UHFFFAOYSA-N 484.503 5.404 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(n3C)-c3ncccc3OC4)cc2)CCC1 1788320040 OTRHISRTYYKZTB-QHCPKHFHSA-N 496.611 5.496 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)cc2)CCC1)C(F)(F)F 1788986405 ZBPIOZNAEBXEQB-UHFFFAOYSA-N 463.406 5.312 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cn4cc(Br)ccc4n3)cc2)CCC1 1789328372 DCGYYSAUMYEWCA-UHFFFAOYSA-N 493.405 5.038 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(Br)c4[nH]3)cc2)CCC1 1789329245 RPMDWPTUZQOFDZ-UHFFFAOYSA-N 478.390 5.482 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2)CCC1 1789686985 VEIWWNOGQQRENW-UHFFFAOYSA-N 494.842 5.164 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)cn4)cc3)CCC2)c1 1789735823 UENFIDSTYVYIEI-KRWDZBQOSA-N 458.949 5.424 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790089235 QKYBZKAOFZRWBN-UHFFFAOYSA-N 466.965 5.817 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)CCC3)cc2)c1 1790144877 PUXYOCNRSMUMSO-FCHUYYIVSA-N 458.949 5.091 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCC1 1790650126 IJKPCPPYMRKKSV-OAHLLOKOSA-N 479.474 5.393 30 20 JKED Cc1ccn2c(C(=O)Nc3ccc(C4(NC(=O)CCCC#C[Si](C)(C)C)CCC4)cc3)cnc2c1 1790972971 YBWBRLXSXHBBCL-UHFFFAOYSA-N 486.692 5.442 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CCC1 1791404945 IXVQOYDODCYIAY-JLLPCOHGSA-N 493.648 5.002 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cccnc3)CCC2)cc1)c1ccc(O)cc1 1791641973 NMCMGWFUVRZMDI-NRESZANFSA-N 479.580 5.132 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2)CCC1 1792140124 KIFNARSPYLUTOV-UHFFFAOYSA-N 456.970 5.079 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)ccc2[nH]1 1797973207 XGUCPVGPCFBFKV-REPLKXPHSA-N 472.427 5.175 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCOCC1)C2 1798593344 GEAYRNPJBJLOBT-NUNAXRQHSA-N 473.057 5.019 30 20 JKED Cc1cccc(Cl)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1800491905 XMBKPSQUNXDVHJ-REPLKXPHSA-N 475.898 5.105 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(F)cc2F)C3)cc(C(F)(F)F)c1 1800740973 SUKFZIBZLWYFFD-MUJYYYPQSA-N 497.851 5.074 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)C1)c1ccccc1 1805623033 IOTIHDISIDLSRI-GIPLCNRYSA-N 478.658 5.158 30 20 JKED N#CCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1806289328 GRBHVTSRSJDWEH-POURPWNDSA-N 488.676 5.755 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccs2)[C@H]1c1cccnc1)c1ccccc1 1807398370 CKTBDSDMOBYFCI-SKTZKVMUSA-N 483.637 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)COc2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1810491597 FEFUNOQMWNEALM-AOYPEHQESA-N 477.649 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1810503521 PSXMMNYEIRAEPP-XUZZJYLKSA-N 482.694 5.583 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OCCC)cc2)[C@H]1c1cccnc1 1810505450 UXYBDIFKPSQUKC-NOZRDPDXSA-N 463.622 5.182 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc4occ(Cl)c4c3)[C@H]2c2cccnc2)c1 1811939932 RMQPCELOTNCLAD-RLWLMLJZSA-N 498.970 5.295 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2Cl)N(C)C)[C@H]1c1cccnc1 1812430029 FRYPCMLPGSZDBA-SDUSCBPUSA-N 497.083 5.036 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(CCCCC)cc2)[C@H]1c1cccnc1 1812671612 JJWGWOFZKXOQEX-RSXGOPAZSA-N 483.603 5.274 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1 1812806030 PKVCPVQATBVGTE-LSYYVWMOSA-N 459.634 5.136 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)cc1 1814379889 ZFGHIEUQRKNHHW-FQEVSTJZSA-N 473.558 5.028 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)[nH]n1 1814442747 XNDKTVMTCNCFBJ-NRFANRHFSA-N 475.593 5.671 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)[nH]n1 1814828270 FEJQAGKXAVSCEH-OICBGKIFSA-N 489.664 5.300 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)c2ccc(OC)cc2)n[nH]1 1816807661 SKYHTGXNCSAYPG-QFIPXVFZSA-N 480.609 5.066 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccnc3-c3cccc(C)c3)n[nH]2)C1 1817744241 PVTKFYXODAERNN-HSZRJFAPSA-N 455.562 5.052 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818116883 NKBAZGAZUPEDMI-IWGBCORSSA-N 492.601 5.005 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818984808 BOZQLBPCAPKIBA-LJQANCHMSA-N 491.539 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3[nH]2)n[nH]1 1818988928 LBFXRUCYNVQWTD-OAQYLSRUSA-N 469.536 5.468 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)[nH]n1 1819303853 QOWUFXUPZATVGP-NQIIRXRSSA-N 489.542 5.217 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)[nH]n1)c1ccccc1 1819521495 VDUIRDALWFKEHU-IRZONMJZSA-N 487.629 5.077 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)cc1 1819964346 WPJNULVISWFHQD-QGZVFWFLSA-N 488.400 5.198 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)c(F)cc3F)n[nH]2)c1 1821067144 ALNBIQFUQNJUFF-FPTDNZKUSA-N 481.478 5.074 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821276437 SFPMEEYSBZXZCC-NRFANRHFSA-N 490.995 5.247 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)cc(C(F)(F)F)c1 1821311551 ZCOMKBPCSACGLQ-VIRVFLBCSA-N 499.537 5.432 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n[nH]1 1821788755 VOPSGCDKMDBHHV-GCJKJVERSA-N 488.554 5.504 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)[nH]n1 1821988147 NEXUTWTVBVSZHS-CTNGQTDRSA-N 462.516 5.192 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1823685243 OPKGWVPWWPWHSG-VWLOTQADSA-N 499.989 5.356 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)c(F)c(Cl)c3)CC2)cc1 1823686045 NJKNNBTUYARAEQ-XMMPIXPASA-N 499.989 5.356 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(Br)c3C)CC2)C1 1823701201 CECUJWPYTHNSFH-JOCHJYFZSA-N 477.418 5.096 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnc3[nH]ccc3c2)CC1 1823753359 KMNNVTBMPRALKL-XMMPIXPASA-N 464.654 5.108 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 1823755248 PQHDYMAOJOEAGG-QHCPKHFHSA-N 470.654 5.238 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c(Cl)c1 1823980620 PKQJBHWXPNDULZ-VWLOTQADSA-N 499.989 5.356 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1824053755 FCFQBPICGISKPZ-RUZDIDTESA-N 495.570 5.026 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1824502312 GKGOXFBIYWVASP-DEOSSOPVSA-N 491.072 5.343 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824504823 SMDXMMYAZJYRPO-RDPSFJRHSA-N 494.598 5.239 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1824508280 UPJVYDULBWABGQ-WNCULLNHSA-N 499.655 5.431 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1824509531 BELRSFLPJGMHGS-CJFMBICVSA-N 489.616 5.252 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1 1826570221 CQHYOSLBVNJISS-OAQYLSRUSA-N 452.973 5.104 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827353300 QCLGUPPMNRTLLX-QHCPKHFHSA-N 485.550 5.332 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827520038 PKOBDJRQINQYIP-HSZRJFAPSA-N 468.041 5.557 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166064 HCTHXJRFWJBCJY-YLJYHZDGSA-N 490.069 5.589 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2OC)CC1 1828830461 MLZCFSPDQBREMW-FTJBHMTQSA-N 482.665 5.025 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c(Cl)c1 1829672333 OQGYZXHFGPJBSH-RUZDIDTESA-N 492.982 5.379 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2OC(F)(F)F)CC1)C(F)(F)F 1829674550 PHVIONVOUWSARI-KRWDZBQOSA-N 496.423 5.076 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1Cl 1829689855 AECRLBWXTJENEY-IBGZPJMESA-N 492.929 5.106 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1Cl 1829689986 XPTJBDYURXAFQG-JOCHJYFZSA-N 488.390 5.551 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CC1 1829693043 TYTKHGGFVHGGNG-LEDOBFOHSA-N 456.030 5.271 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)CC1 1830637414 MOEPJOILKQWXNM-RPBOFIJWSA-N 461.606 5.343 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830715310 RRYPEOCORNEDPW-MMYRTMNYSA-N 465.594 5.096 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1831371089 RGRWWYCKYDKAIU-GCJKJVERSA-N 487.019 5.110 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1831446804 IKZHIQMOARJONX-JOCHJYFZSA-N 462.581 5.309 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1831853289 QAKZFRTWKWQJDI-HXUWFJFHSA-N 469.840 5.684 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccn(-c4ccccc4)n3)CC2)c1 1832634730 ZCUIWIYUFROWDG-DWACAAAGSA-N 495.627 5.046 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)Cc3ccccc3)CC2)c1 1832634746 VOKVZSREXIJRTO-MVOZIGHISA-N 471.645 5.426 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3F)CC2)cc1C#N 1832703408 KWVWVZNDTXESOD-RUZDIDTESA-N 477.580 5.032 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCCCC2)CC1)NC(=O)OC(C)(C)C 1832754219 WXCJJMWVSUDQHM-BJKOFHAPSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)CC1 1838375345 CGLVIXNZLQTDJK-OAQYLSRUSA-N 496.545 5.225 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10170980 DVFJSRMNORWSTR-UHFFFAOYSA-O 481.641 6.997 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 10832532 URAJGONTPICYIZ-UHFFFAOYSA-O 486.060 6.886 30 20 JKED CCOc1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2ccc(C#N)cc2)cc1 14823939 KHYGNDRGMQXDII-UHFFFAOYSA-N 493.585 5.032 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc3c(c2)CCCC3)c(Cl)c1 15248360 QMTISMGKLFPMEO-UHFFFAOYSA-O 490.501 6.889 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)nc2sc3c(c2c1=O)CCCC3 16715454 GYWQKKLIYHMDNF-ZDUSSCGKSA-N 491.585 5.244 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(F)cc1 22217406 CJEYOQLHDXMNCG-SFHVURJKSA-N 458.562 6.057 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22799795 JQLUQLGDZJTYBC-UHFFFAOYSA-O 470.033 7.030 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2cc(-c3ccccc3)sc2c1=O 23265832 MZRTWVYWACBHAA-UHFFFAOYSA-N 499.564 5.643 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 32785580 UIPBEFSGWRTZQU-FQEVSTJZSA-N 486.641 5.356 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](C#N)c4cccc(Cl)c4Cl)c(=O)c23)cc1 78718884 POLGZUFBQHSMAZ-LJQANCHMSA-N 497.407 5.511 30 20 JKED CCc1ccc(N(C(=O)CCCOc2ccc(C#N)cc2OC)c2nc3ccccc3s2)cc1 107769601 GQBGQYLQWNRTGN-UHFFFAOYSA-N 471.582 6.263 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3ccccc3Oc3ccc(Cl)cc3Cl)CC2)nc1 195697558 XJPKDKJVZQXHAP-UHFFFAOYSA-N 453.329 5.015 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc1OC 206132625 VDURMSNSNADWMX-LCYFTJDESA-N 462.525 5.036 30 20 JKED COc1ccccc1[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)N1CCCC1 255952423 REWFPJIIZFFWPP-RUZDIDTESA-N 471.626 5.426 30 20 JKED CCC(CC)NC(=O)[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc2O1 483493345 FTXGJWPXXJPLKQ-AREMUKBSSA-N 469.541 5.063 30 20 JKED Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1NC(=O)CN1CCCCC1 483585895 QPCPVCYWSZFNLI-UHFFFAOYSA-N 468.557 5.336 30 20 JKED Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C 488224749 VYTXXIFCKGPPPM-DEOSSOPVSA-N 457.555 5.121 30 20 JKED COc1ccccc1-c1nnc(SCCOc2ccccc2C#N)n1CCc1ccccc1 497683310 CTNKSICNXZQQJT-UHFFFAOYSA-N 456.571 5.239 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(F)cc2F)C2CC2)nnc1-c1ccc(Cl)cc1 499141632 MOQRNCXNCRRXSJ-UHFFFAOYSA-N 474.964 5.346 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)c1nc2c(C(C)C)cccc2s1 499162968 XWAKFAVGDGAKFJ-UHFFFAOYSA-N 484.625 6.175 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 501144368 AYNNDJRUBGPCOZ-UHFFFAOYSA-N 468.532 5.597 30 20 JKED C=CCN(C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc(C(=O)OCC)cs1 501941661 CNXYTSDCDILLDM-UHFFFAOYSA-N 484.422 5.100 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 503190705 QGCMXAWSRIDDBH-UHFFFAOYSA-N 480.862 5.478 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCC3(c4cccc(Cl)c4)CCOCC3)c2)cc1 506552953 QTPANQBOQAPIJT-UHFFFAOYSA-N 490.003 5.855 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)o1 507612668 GXLXUIIGQNQZTL-UHFFFAOYSA-N 471.900 5.888 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 508143545 OSRKWPJOQRJBGZ-UHFFFAOYSA-N 451.979 5.459 30 20 JKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 508428508 YZXYZEYKCFFKAV-UHFFFAOYSA-N 461.521 5.950 30 20 JKED COc1ccccc1NC(=O)Nc1cc(NC(=O)CSCc2ccc(C#N)cc2)ccc1OC 509413742 DNFZLYDOTPHBAD-UHFFFAOYSA-N 476.558 5.091 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1Cl 510004273 FJLYXHAJYSLKBQ-RUZDIDTESA-N 487.003 5.943 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 511337116 DTZKLEHNZHWSSM-DEOSSOPVSA-N 468.557 5.046 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)oc12 511351221 AQHVONSCSCNYIA-LJQANCHMSA-N 469.541 6.359 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(I)c(F)c2)cc1 511793821 RHMBVSKQNNWKQV-UHFFFAOYSA-N 486.284 5.328 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(C)o2)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 512197257 OWVJAJRRZNQXJB-UHFFFAOYSA-N 485.612 5.071 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)cc1 513676226 BAGMUAQLGXCMGT-KRWDZBQOSA-N 490.610 5.596 30 20 JKED C=CCN(C(=O)c1cc2cnn(C(C)C)c2nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514868237 GXAWTGRIMMZFNW-UHFFFAOYSA-N 462.535 5.185 30 20 JKED CCCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC 515283413 BZKOXQCORCKWTA-UHFFFAOYSA-N 465.937 6.147 30 20 JKED CCOc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2)c2c[nH]c3ccccc23)cc1OC 515377696 HKVNXMMMSKQXPG-QFIPXVFZSA-N 454.530 5.400 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 516015642 NIFNSPUEDUIWSJ-UHFFFAOYSA-N 487.865 5.620 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSCc1csc(COc2ccc(Cl)cc2)n1 517295747 QZLBKMDJXLXSTD-UHFFFAOYSA-N 464.399 5.772 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1cccs1 519442311 FJXJWFIHOLWGRL-UHFFFAOYSA-N 493.532 5.533 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1 519451252 WHMVEEALXQDBOU-AEFFLSMTSA-N 450.633 6.561 30 20 JKED C=CCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 519508589 FZCCSTUFNBHLQR-OAHLLOKOSA-N 484.507 5.194 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 520145031 PHCMNCXWLFXZMC-FQEVSTJZSA-N 470.548 5.337 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 520193466 RFBJIRFOOASQSI-JPYJTQIMSA-N 478.017 5.773 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCCN(C(=O)c4cccc(Cl)c4)CC3)cc2)c1 520197686 LVIIUTWOUORYLC-UHFFFAOYSA-N 474.948 5.384 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 520847163 YVHXIHVRYPJKSN-HXOBKFHXSA-N 479.552 5.255 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)c2)cc1 521492201 GFQPVIYVQNAODZ-UHFFFAOYSA-N 466.394 5.946 30 20 JKED CCOC(=O)c1sc(NC(=O)c2occc2COc2cccc(C#N)c2)nc1-c1ccccc1 523228789 ZVAAUCVQGKUFMM-UHFFFAOYSA-N 473.510 5.283 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cc1 523631359 IIQUYVAKHAYBIO-XMMPIXPASA-N 475.520 5.340 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3C(F)(F)F)CC2)c1 524658224 RSCKMBIFUSOUCZ-UHFFFAOYSA-N 481.474 6.445 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)s2)cc1 551108729 JZMNOEVMGRZSJQ-UHFFFAOYSA-N 475.521 5.532 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccc(F)cc1 553300393 IYKHSAGQFACTHW-MRXNPFEDSA-N 467.595 5.253 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccco1 594527872 IAOQSRSZHPYOMU-CADBVGFASA-N 493.658 5.882 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 603674659 OAPGEKCPTMCKLQ-UHFFFAOYSA-N 451.501 5.687 30 20 JKED C=CCN(C(=O)[C@@H](C)SCc1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 603751664 ZHJXZCNDPOLGLR-QGZVFWFLSA-N 472.657 5.055 30 20 JKED CCOc1ccc(-n2c(SCc3cn4ccccc4c3C#N)nnc2-c2cccnc2)cc1 603824340 HGFKTHDXZUSICG-UHFFFAOYSA-N 452.543 5.145 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCCN(c2ccccc2C#N)CC1 603896655 YCJITDXYGNMXRJ-UHFFFAOYSA-N 496.995 5.326 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccc3)cn2)c1 604227097 XVYWQLSDEUAWGQ-VWLOTQADSA-N 496.954 5.438 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604507250 DQNOPONSYXLSBZ-LJQANCHMSA-N 482.565 5.536 30 20 JKED CCOc1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)ccc1OCc1c(F)cccc1Cl 608982831 DBUSBIRLJNFOKU-UHFFFAOYSA-N 494.998 5.482 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N(CCc3ccccn3)Cc3ccc(F)cc3)o2)cc1 609061002 NFRXZLRNUXJUFS-UHFFFAOYSA-N 455.489 5.149 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCc3nc(-c4ccc(F)cc4)no3)cc2F)c1 609104226 BQYBYXWMTPRDBB-UHFFFAOYSA-N 474.467 5.427 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609110763 RKXLAXKTFWYJNQ-UHFFFAOYSA-N 458.468 5.470 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 609371208 AUBKPTKAXOCXRE-LBPRGKRZSA-N 450.511 5.707 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 609407759 QEQYOHOEFHLWNR-UHFFFAOYSA-N 489.482 5.189 30 20 JKED COc1cc(CN(C)C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 612804507 NQOWKCJZFVJCCG-ITGUQSILSA-N 478.380 5.348 30 20 JKED N#C[C@H](C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc2cc(C(F)(F)F)ccc2s1 613405276 WLFZVKJWZLLUJX-GFCCVEGCSA-N 452.841 5.620 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 613908583 VLJQWTYFJKEWBM-UHFFFAOYSA-N 495.407 5.240 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 616073656 WZINWFSDJMEYDW-UHFFFAOYSA-N 453.011 5.257 30 20 JKED FC(F)(F)c1ccc(-c2nc(CN3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cs2)cc1 618449339 FQLFJBHHOLBDRT-CHWSQXEVSA-N 462.381 6.392 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(-c4ccccc4Cl)s3)n2)cc1 622978244 MUNLDSPDJFLPKX-INIZCTEOSA-N 451.960 6.086 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 623174023 JQGORVITMFGTMC-IBGZPJMESA-N 475.643 5.395 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c(C)c1 642230603 LMKIEFAFXIMLHV-UHFFFAOYSA-N 468.622 6.203 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)cc1 642281082 IBQLGOZOVMRESY-HXUWFJFHSA-N 459.958 5.472 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 642281782 QJKVLYXSLVFMLY-JOCHJYFZSA-N 473.579 5.125 30 20 JKED O=C(NCc1ccccc1OC(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642675602 KKTLGHLATUFAIB-GDNZZTSVSA-N 452.317 5.294 30 20 JKED Cc1cc(SC(C)(C)C)ccc1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 725758758 HGFFDLSTVFXJIT-UHFFFAOYSA-N 473.664 5.123 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1cn(-c2ccccc2)nc1-c1ccncc1 725793668 LMARERHCUKZDCU-UHFFFAOYSA-N 492.395 5.671 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccccc3)S/C2=N\CCc2ccccn2)c(C)s1 726109385 OEGVWQWWWQSNNF-UEDPMERDSA-N 492.670 5.392 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 726392448 GVYWJAYMJVZPQM-KUHUBIRLSA-N 497.514 5.230 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(C2CC2)C1=O 726406970 NOFGGBHHBXNINZ-NRFANRHFSA-N 482.993 5.123 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1Br 726628098 YENVBOSMZZSZNN-FRKPEAEDSA-N 465.781 5.389 30 20 JKED COc1ccccc1/C=C/C=C1/CN(c2cnccn2)C/C(=C/C=C/c2ccccc2OC)C1=O 726744246 YMQUTXMTYBJKJZ-NNWXTWCOSA-N 465.553 5.163 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 727229829 DVSRIDMRQQFAFJ-HSZRJFAPSA-N 479.502 5.393 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 728423981 ZMHXCIGLYAUOOK-KOSHJBKYSA-N 499.596 5.073 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CCc3c(C)noc3C)C2=O)cc1 730444115 JLSWVCSWXZHNQD-XMMPIXPASA-N 490.629 5.420 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2c(C)noc2C)c1 730444365 MOGBMHKKRUZUGA-XMMPIXPASA-N 490.629 5.365 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(C3CCC3)C2=O)cc1Cl 730461152 LODJDEBJEULFGN-IBGZPJMESA-N 461.946 5.001 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1)O[C@@H](C)C2 730687921 QJUQSOZIEMDRDU-OPEMAFOOSA-N 496.563 5.652 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccc(Cl)s2)C1=O)Nc1cnccn1 730715149 KDYHUMOSOVPQED-OAHLLOKOSA-N 492.413 5.005 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N([C@@H](C)c3cccnc3)C2=O)c1 730945731 XHMSBVKTFUAEKP-RXFWQSSRSA-N 498.652 5.909 30 20 JKED C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2SCCC#N)c1 730982754 WBBUVWALTWVSLL-QGZVFWFLSA-N 495.601 5.224 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sc2cccc(Cl)c2c1Cl 731070474 LZDWVAUKLZANAS-LBPRGKRZSA-N 479.410 6.398 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](C)c1c(Cl)cccc1Cl 731078676 VVVADIDZFPNICA-UONOGXRCSA-N 451.375 5.531 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2)c1 731304934 CFUBPUFQBJYBDR-XMMPIXPASA-N 489.597 5.008 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)c1C 731307620 IQKPTCLDVJWIQF-OAQYLSRUSA-N 465.600 5.231 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2Cl)cc1 731308130 XHLYTWIZLREDFM-QFIPXVFZSA-N 495.988 5.215 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1c(C)cc(C)cc1Cl 731309459 SXVZVSPWOUTZOE-FQEVSTJZSA-N 490.025 5.049 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H](O)c3ccc(OC(F)(F)F)cc3)cc2)c1 731399465 CTIKEELFHOAAFX-OAQYLSRUSA-N 457.408 5.104 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCOC(C)(C)C)C2=O)c1 746695032 BCGOKQBKDCUDLK-NRFANRHFSA-N 453.608 5.079 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCOC(C)(C)C)C1=O 746696329 MKHAGFZEWUDFSN-HXUWFJFHSA-N 474.026 5.424 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cscn3)C2=O)cc1 747601958 XDVOSESLKJTFGW-NRFANRHFSA-N 464.616 5.229 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2F)n1 748035744 IFKPBCZEYCLVJO-QFIPXVFZSA-N 492.576 5.007 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c1 749312990 OWFCTVVXYPCLEV-UHFFFAOYSA-N 477.586 5.318 30 20 JKED C=CCN(Cc1nnc(-c2ccc(Br)s2)o1)Cc1cc(Br)ccc1F 749330974 GOLZKSHGWCCYAS-UHFFFAOYSA-N 487.192 5.650 30 20 JKED C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)c1 749506924 APBUBHJJXJBOQD-UHFFFAOYSA-N 477.520 5.040 30 20 JKED CC[C@@H](C)n1c(SCC(=O)O[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 750254332 AMKWNTUJWGVXGJ-HZPDHXFCSA-N 498.008 5.104 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1Cl 799212739 XVWVGXQQCMDRQN-CQSZACIVSA-N 494.297 5.655 30 20 JKED CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1 814295303 SVUFYQUJEWUOSJ-QGOAFFKASA-N 463.506 5.341 30 20 JKED COc1ccc(-c2nc(SCc3nc(-c4ccc(C(C)C)cc4)no3)nc(O)c2C#N)cc1 824959210 CFGNGXUNBGGLHO-UHFFFAOYSA-N 459.531 5.195 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)cc1 837951452 XUKLCMBMNISDQX-NBGIEHNGSA-N 486.641 5.982 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@H](C)c1cccnc1 838227369 ZFEHKRPHEFIQCP-CJFMBICVSA-N 486.641 5.982 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 839415470 DPNQYNVSUPCDGS-UHFFFAOYSA-N 498.967 5.408 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2C3CCC2CC3)ccc1Cl 862901419 MQCHXEULSGJRRP-UHFFFAOYSA-N 465.402 5.142 30 20 JKED CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(c3nc(-c4ccc(Oc5ccccc5)nc4)no3)C2)C1 904452259 ZYXBATPSTXQTGK-HOYUBGIKSA-N 473.533 5.178 30 20 JKED Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)n3)cn2)n1 904519167 VYVSYZVEKIPETP-UHFFFAOYSA-N 485.363 5.891 30 20 JKED Cc1sc2ncn(N=Cc3ccc(-c4cccc([N+](=O)[O-])c4)s3)c(=O)c2c1-c1ccccc1 912791746 XNNIDQSGYGYVAL-UHFFFAOYSA-N 472.551 5.952 30 20 JKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN(C(=O)c2ccccc2F)CC1 913152757 BCYVHLYCMAJAEE-VOTSOKGWSA-N 488.403 5.251 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccco2)ccc1Cl 914495925 MCTHKMPNGFOILW-INIZCTEOSA-N 493.412 5.801 30 20 JKED CC(=O)Nc1cccc(-n2c(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)nnc2C2CC2)c1 914531023 CPCXHPGYHMBFMD-BUVRLJJBSA-N 487.629 5.076 30 20 JKED Cc1cc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)on1 915104436 QVLDCWCXCGCJTR-INIZCTEOSA-N 473.501 6.394 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 915104711 JHAJJYMUFNPOBC-OAHLLOKOSA-N 478.517 5.874 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@H]2CCCC[C@@H]21 915187777 ZVKHKSQQUYUTDH-BVCVKUKASA-N 493.607 5.763 30 20 JKED N#Cc1ccc(/C=C2/CN(C(=O)c3ccccc3Cl)C/C(=C\c3ccc(C#N)cc3)C2=O)cc1 915990416 PSSNMUYFOVEOSE-NQGGHMMCSA-N 463.924 5.275 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1Cl 916056598 FNVUSTNUYJWKKV-ZCYQVOJMSA-N 457.961 5.629 30 20 JKED C=CCN(C(=O)c1c(C)oc2ccc(OC)cc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 916106424 AECJIAZBRZEVBG-UHFFFAOYSA-N 482.583 5.110 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(Cl)cc1 916212545 XMJWZSKEMGOPHS-FQEVSTJZSA-N 459.999 5.035 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F 916212733 XELXWPJZHJPVSG-IBGZPJMESA-N 461.509 5.608 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2cccc(Cl)c2C)cs1 916299063 ZRRSVSSSKATSKL-UHFFFAOYSA-N 478.430 5.763 30 20 JKED N#C[C@H](C(=O)CCCCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916932494 WSJUOZXLKUCSPQ-MRXNPFEDSA-N 468.178 5.816 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)cc1Cl 916938418 AJJXYQSGOCJWNY-HNNXBMFYSA-N 465.333 5.007 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)o1 917560342 MHSPRVXNWXHTKE-UHFFFAOYSA-N 454.305 5.355 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)Nc1ccc2ccccc2c1 917609470 AKHPUFWMFHWBMI-UHFFFAOYSA-O 470.618 6.007 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cccc(C)n3)C2=O)c1 917671975 KLDVELUAOVKHKO-XMMPIXPASA-N 488.613 5.176 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccnc(C)n2)cc1 917683220 FCGBEXFNVGHFCS-XMMPIXPASA-N 487.629 5.288 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C#N 917701864 CGTUOWJYZXZGGG-KRWDZBQOSA-N 459.358 5.011 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 917757097 JUBCIDZJDXVIIY-UHFFFAOYSA-N 462.571 5.454 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccccc2SCc2c(C)noc2C)c1C 918792480 KCYIXVXLTDIGNV-UHFFFAOYSA-N 477.586 5.304 30 20 JKED CCOc1cc(C#N)ccc1OC(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12 920016207 BVSDCRIINNSQED-UHFFFAOYSA-N 470.525 5.661 30 20 JKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 920109574 RQIDMCUBMLNTOA-GOSISDBHSA-N 473.404 5.219 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc3ccccc23)s1 920169318 FLNVHQQXSVQGKN-ZHRRBRCNSA-N 463.628 5.571 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)n1 920327661 JFCVWEMDHJSTOO-MVDPLZLPSA-N 454.910 5.529 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccccc2C)no1 920353322 HBYSDGRBUFYTEB-OAQYLSRUSA-N 482.993 5.414 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)cc1 920457514 QTJVTJGPLQYFLC-XMMPIXPASA-N 492.604 6.182 30 20 JKED COc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 920832720 TWJZKYLJUYZACJ-WEVVVXLNSA-N 495.384 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccccc3)cc2)C1 1783042433 MFFSNOFAZZFNQR-POURPWNDSA-N 472.629 5.250 30 20 JKED CCSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1785780262 QOJIMCKHUSIBFK-UHFFFAOYSA-N 456.571 5.127 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1 1786544454 GJCJHVHQSCZQII-FXAWDEMLSA-N 491.579 5.025 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)CCCc4ccncc4)cc3)CCC2)cc1C#N 1786907992 HIOBAGOHNNNNAW-UHFFFAOYSA-N 496.611 5.511 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c[nH]1 1787041900 HVABOPYZQBRVNU-UHFFFAOYSA-N 454.574 5.440 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c4ccccc34)CCC2)cc1 1787887744 WABKNYVPMLLCLB-UHFFFAOYSA-N 476.374 5.654 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)Nc4nccs4)cc3)CCC2)c1 1788621566 HJPWESWNRINVMO-QZTJIDSGSA-N 473.602 5.018 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)nc5ncccc45)cc3)CCC2)CC1 1790015224 UVJCJRZSAHSFPG-UHFFFAOYSA-N 487.563 5.348 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)cc1 1790931245 VFXUAZVOIICYNS-UHFFFAOYSA-N 451.482 5.072 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@@H](c3ccccc3)N(CC)CC)cc2)CCC1 1791125207 ARRGODNKGDFAPP-RUZDIDTESA-N 465.663 5.123 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC[C@H](C)CC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681584 YQMJNOLKJLLEKG-PTLVVNQVSA-N 495.664 5.512 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)ccc1F 1792123257 QBCXRVDBDIXVFS-QGZVFWFLSA-N 456.521 5.218 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(F)(F)F)nc3ccccc13)C2 1793053002 JZXKZUGFWQEMHR-REPLKXPHSA-N 471.523 5.274 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(F)F)cc2Cl)c1 1799252767 VZLHDPYDHWJBMG-DQEVTTJGSA-N 487.934 5.134 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cccnc2)cc1)c1ccccc1 1800275628 ZOZTZSCXGLRDHU-CRNKYVSFSA-N 477.608 5.198 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(OCc2ccccc2)c(OC)cc1C 1800703125 SVAQRMUGMQFIJM-QEIWAGNOSA-N 488.628 5.028 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccnc1 1802496343 PUMJDVQCFCIODI-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1802502389 BWKBKQHOEVSGFU-BVAGGSTKSA-N 455.602 5.547 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1802502619 DDWJOFYUZMBXOS-TZIWHRDSSA-N 451.592 5.201 30 20 JKED O=C(CCC1CCC1)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1803378222 UGNJDXOCGTZJSA-SMCANUKXSA-N 491.635 5.381 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1803419467 BIKWNYDPBMSBIA-ZUUNWQIRSA-N 463.647 5.037 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(C)(C)Oc2ccc4ccccc4c2)C3)c1 1803681486 QSGWJXBKYRDBIS-YBJJANMISA-N 495.623 5.576 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)s1 1804468468 ZHIUZJAYXMHKCC-WNCULLNHSA-N 495.765 5.141 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4CCCCC4(F)F)C3)CC2)cc(C(F)(F)F)c1 1806207873 PTHLEQJHLJVYQG-HXUWFJFHSA-N 497.508 5.247 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccnc3C(C)(C)C)[C@H]2c2cccnc2)c1 1807784634 HJCIEFFRFLMXPS-OLLUBJOZSA-N 495.627 5.035 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808161903 WIFQYIQSXLMUGW-IPVFLDMMSA-N 491.035 5.613 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3ccc(Cl)s3)C2)CC1 1808209801 UHGYRHXDMSSXQR-UHFFFAOYSA-N 465.135 5.297 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1810171386 CNGHEOGLNDTPJN-SGIRGMQISA-N 485.550 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1810181376 HTFSUSUSSJUKSZ-FIGDICHHSA-N 494.079 5.949 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 1810962779 PYRSBHVFCVRZMR-MBSDFSHPSA-N 491.941 5.267 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1811421286 YFZHFAROUKNEAX-UXCLWCCASA-N 493.051 5.389 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1811696195 YZUVMGKTHHVSNS-NEKDWFFYSA-N 483.637 5.107 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 1811935855 GHXVXYCXVBRYLJ-RBJSKKJNSA-N 474.564 5.048 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1812126769 JDGUIEFNECXPOR-RDPSFJRHSA-N 462.619 5.021 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)[C@H]1c1cccnc1 1813053742 XNKRBPASJHRRPB-RLWLMLJZSA-N 490.003 5.020 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ncc(Cl)cc3Cl)n[nH]2)c1 1814372168 XJDXVUWRJASDFP-VLIAUNLRSA-N 497.386 5.358 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)n[nH]1 1814899666 MGURMFIDQYHYEX-LJQANCHMSA-N 489.661 5.088 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3CCC(F)(F)CC3)n[nH]2)c1 1815023183 QZFWXSMNZSLCMN-KKSFZXQISA-N 469.536 5.168 30 20 JKED COc1ccc(F)cc1-c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC#N)n[nH]2)c(Cl)c1 1816747118 HHXUYIGYPMFGIO-NRFANRHFSA-N 495.942 5.097 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817208456 HRKPWNJKWWRZDR-JZEPBHRJSA-N 487.648 5.548 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3csc4c3CCCC4)n[nH]2)cc1 1819046844 ZGZXVAJCCZDVKT-QFIPXVFZSA-N 473.602 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)[nH]n1 1819307230 DDNHKNGUQQHZFY-QUCCMNQESA-N 460.500 5.503 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1)C(F)(F)F 1820089736 PMKKARAXBQSXJG-GOSISDBHSA-N 497.477 5.371 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)c(F)c(Cl)c3)[nH]n2)cc1 1821183314 VNUGLEUTLVSIKW-FQEVSTJZSA-N 483.906 5.027 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)[nH]n2)c1 1823210558 HGUSATHIJHBBPK-HJPURHCSSA-N 493.970 5.378 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c1 1823211075 CFZFFIUBMWXUJE-MGPUTAFESA-N 473.558 5.464 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)[nH]n1 1823421137 ONUKAZQHPLWQAK-OAQYLSRUSA-N 493.608 5.093 30 20 JKED Cc1scc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c1C 1823683731 HQJXHNLNAHSGIZ-VWLOTQADSA-N 463.647 5.103 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)cc1 1823811557 JYSOLUALHJYWHN-AZGAKELHSA-N 490.047 5.104 30 20 JKED CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1824052553 LRXDBAPURSDLFR-VSGBNLITSA-N 471.645 5.304 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 1824054220 RPCUEVCMVMNEGB-RUZDIDTESA-N 464.009 5.078 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC(C)C)cc2)CC1 1824502511 LAWVUOVLRNFSOI-AREMUKBSSA-N 454.655 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824806320 BZTIJZPZILSYLL-XMMPIXPASA-N 484.681 5.249 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)CC1)c1ccccc1 1825367118 KOWWDOCHNASYCW-LADGPHEKSA-N 496.026 5.305 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCCC3)CC2)cc1C#N 1826270205 HAACVNINCRSUOQ-SANMLTNESA-N 479.665 5.549 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1[nH]c3c(Cl)cccc3c1C)CC2 1826423035 NGKGJYMHCILVJJ-OAHLLOKOSA-N 469.010 5.006 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC[C@@H]3CNc4ccccc4C3)CC2)c1 1826952989 ZMRFVSMOHCZAEW-IADCTJSHSA-N 498.671 5.165 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2N)CC1)c1ccccc1 1826956767 KUVXYRMCNBMMKV-VFZNGVSLSA-N 483.656 5.099 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)CC1)c1ccccc1 1827416568 PDDLSIJZJHSHPG-AZGAKELHSA-N 499.611 5.365 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828223269 CISRWZXJNVLUGZ-SHQCIBLASA-N 475.633 5.245 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cnccc3nc2C)CC1 1828535751 BLMMHGBDJMBJAO-RUZDIDTESA-N 462.638 5.164 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)CC1 1828656953 QITCNDRBNRVKDB-XMMPIXPASA-N 481.434 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 1828822912 NOHGXRXMHPKWON-RPBOFIJWSA-N 475.633 5.652 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 1828824969 QWHIWKBDLWPXGX-KWNHSTDBSA-N 470.604 5.456 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1828827801 VKAJONGGAHQDLI-NSOVKSMOSA-N 471.645 5.750 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2Cl)CC1)c1ccccc1 1829032057 ISXFCRRGZIKNPX-ISKFKSNPSA-N 467.009 5.364 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COCc2ccccc2)CC1)c1ccccc1 1829032430 JUNHKKNVQMDTNM-FQLXRVMXSA-N 486.656 5.020 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1829066695 SBHRZOQLRIWISK-JRWCXLMHSA-N 491.676 5.802 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Cl)CC2)c1 1829897437 ZSNGBAIXNSEEGR-CLOONOSVSA-N 464.009 5.514 30 20 JKED Cc1cc(Br)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1830502121 JIKPACRHKPPUEW-DEOSSOPVSA-N 494.433 5.176 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)c2[nH]1 1830718660 JWEHUGGXMUXZOK-VWLOTQADSA-N 472.564 5.034 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)c(Cl)c1 1830721145 ZBDHIMXRMKQNLC-QFIPXVFZSA-N 477.983 5.270 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc(Br)c2C)CC1 1830779534 ZSBHDBVSROMSRI-QFIPXVFZSA-N 491.445 5.324 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c1 1831482423 JDFCXPSVEWOATN-NBTBZNCOSA-N 461.650 5.373 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3)CC2)c1 1832633900 GBZHDDLYDCOFKR-AMGIVPHBSA-N 457.618 5.180 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(Cl)c1 1832635880 XOFLIDMROATMIN-AFMDSPMNSA-N 494.035 5.523 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cc(C)cc(C)c3)CC2)CC1)c1ccccc1 1838416881 UXTOUBDLEKEOKF-LJAQVGFWSA-N 486.656 5.113 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[C@@]12CN(Cc1ccccc1)C[C@@H]2C 1847981384 FIJRJTYEVCLUFB-WCDCPCRVSA-N 491.720 5.119 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 10174119 SXXCITLQIVCCEN-UHFFFAOYSA-O 467.439 5.510 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)c3cnn(C(C)C)c3n2)c(C)o1 10954060 RQHVVAXIMDNMRS-UHFFFAOYSA-N 491.935 5.210 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cc1coc2ccc3ccccc3c12 23978049 JVJGFFQAOLCGCU-SFHVURJKSA-N 456.498 5.016 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 26982398 WQRWXESSYQRJIP-KRWDZBQOSA-N 486.601 5.197 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 32787595 DTSSKXICXPETBE-OAHLLOKOSA-N 491.667 5.935 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 32787626 HGWOMGUPOZCEML-KRWDZBQOSA-N 485.638 5.873 30 20 JKED C[C@@H](c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1-c1ccccc1)N1CCCCC1 32875841 JGADIGNUFYWQPJ-FCHUYYIVSA-N 488.661 5.242 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1Cl 46861661 OSRPJMVAHLTHFX-FQEVSTJZSA-N 450.947 5.497 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccccc4Cl)n3)n2)cc1 72032244 AFODDUDCXOBZDV-SFHVURJKSA-N 465.987 6.015 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)s2)cc1 303150507 FHXGDCHIFIFLRA-UHFFFAOYSA-N 470.476 5.003 30 20 JKED COc1cc(C)c(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1OC 303313128 GDVOIFRMSNSQJV-SNAWJCMRSA-N 456.130 5.139 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC3(c4cccc(Cl)c4)CCCC3)CC2)c1 409535233 HOSPBWDXTXWEQD-UHFFFAOYSA-N 464.997 5.084 30 20 JKED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)cc1 410041245 ALRIKGOXZNIMSD-UHFFFAOYSA-N 466.562 5.446 30 20 JKED C[C@H](NC(=O)NCCSCc1ccccc1C#N)c1cccc(NC(=O)c2ccccc2)c1 410307734 IKYBOCOHLXZFRH-IBGZPJMESA-N 458.587 5.104 30 20 JKED Cc1nc(SCC(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c(C#N)c(C)c1C 479470925 JURHPBXZGQBQKE-UHFFFAOYSA-N 490.654 5.178 30 20 JKED C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 481710242 GDOVAHSKLOXIDM-CYFREDJKSA-N 458.537 5.233 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)c1 487844426 YXYGFILQWQXDCJ-QHCPKHFHSA-N 490.673 5.017 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1C(F)(F)F 491046767 FJCHDWFNTVPFLA-UHFFFAOYSA-N 462.859 6.227 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)c2C#N)C1 496865577 PWMWWFAZULXIPE-INIZCTEOSA-N 485.600 5.540 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 498302601 GOCZSYVWUNXHBU-HXUWFJFHSA-N 457.603 5.047 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1 501170323 LDEBFNFGPJVQND-UHFFFAOYSA-N 491.555 5.105 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)N(CC=C)CC=C)cc1 502633065 JWHUTXYQZPVNIJ-UHFFFAOYSA-N 486.385 5.623 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)CC2)c1 502661093 ICRDKXCZPIWWGH-UHFFFAOYSA-N 495.608 5.641 30 20 JKED Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2)nc1 510041490 DVLTWTLDNLRHJI-OFNKIYASSA-N 487.991 5.582 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510245856 XLIISYLCFKHUSU-ZDUSSCGKSA-N 466.617 5.537 30 20 JKED CCN(CCC#N)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 510280393 JYANDHDQNSVQDS-UHFFFAOYSA-N 493.942 5.461 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)c2)c1 510851061 RCXBWFZZFPSEBQ-UHFFFAOYSA-N 473.617 5.721 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc(C(F)(F)F)cn1 513207049 SGQWZSNDKATSAL-GOSISDBHSA-N 488.263 5.605 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)c2ccc(F)cc2Cl)cc1 518154872 JDFKEUSZXIAXSR-DEOSSOPVSA-N 479.939 5.291 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 518667707 JMTWQXIUKAWBFR-SFHVURJKSA-N 494.580 5.639 30 20 JKED N#CCc1cccc(C(=O)Nc2ccc(F)c(NC(=O)c3ccccc3I)c2)c1 518777467 LNYCQZFMNWSUQA-UHFFFAOYSA-N 499.283 5.001 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1 519086712 KYUAWTKZFPJRPC-UHFFFAOYSA-N 466.335 5.596 30 20 JKED N#CCCCOc1cccc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)c1 524077312 SCHPHNAKCKXWIY-XMMPIXPASA-N 467.997 5.269 30 20 JKED C=C(C)COc1cccc(NC(=O)N[C@@H](CCC)C(=O)Nc2cccc(N3CCCC3)c2)c1 589741873 ZRAUICCSZBFJDF-DEOSSOPVSA-N 450.583 5.171 30 20 JKED CC(C)[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1 590378743 ULVYDUQIORFSNI-MRXNPFEDSA-N 450.354 5.315 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1 591709848 ANXHVXHWBDHDCF-UHFFFAOYSA-N 470.501 6.005 30 20 JKED C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)Nc1ccc(CC#N)cc1 603650741 KOUQOWVZKLDGFC-JTSKRJEESA-N 454.961 6.628 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 603706107 AZIZNJXBXOXRFN-QRQCRPRQSA-N 451.979 5.631 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 603831151 NSEIJAITIZRWEX-AREMUKBSSA-N 498.583 5.726 30 20 JKED Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n(-c2cccc(Br)c2)n1 603959875 QLSZITKPGSISMP-UHFFFAOYSA-N 477.318 5.239 30 20 JKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604026438 IHPXWMPSIXXMSC-HNNXBMFYSA-N 466.946 5.910 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)cn2)cc1 604086909 QRGRVFWQFRVXEB-UHFFFAOYSA-N 496.354 5.042 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 604512000 QJGZTPSBMIPHSM-UHFFFAOYSA-N 463.419 5.086 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)cc1 608777890 HHMMPZWDNLSPIM-UHFFFAOYSA-N 469.375 5.477 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ncccc3OCCCC#N)cc12 608883357 OGEZWSOHMCDYQI-UHFFFAOYSA-N 451.939 5.379 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 609080080 PMYGKFIRSDSDDC-NAKRPHOHSA-N 469.585 6.077 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 609154325 RIXSUZTZYQWAQT-UHFFFAOYSA-N 473.476 5.469 30 20 JKED CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cc3ccccc3n2CC#N)c1 609215657 HVUZGYRLZFPCOD-FQEVSTJZSA-N 450.542 5.527 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)s2)cc1 609356764 BFIALSDYLKMWJJ-KRWDZBQOSA-N 497.580 5.302 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)ccc2C)cc1 609382874 VMGZNGDWJBJURG-GOSISDBHSA-N 479.627 5.608 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OC(F)F)c2)nnc1-c1ccc(Cl)cc1 611890808 IZJYQJWXEUSCEO-UHFFFAOYSA-N 450.898 5.117 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1 613319631 JLCGRKGXNMWBRX-SFHVURJKSA-N 464.930 6.134 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OC 613403523 QEQXVKLBIXQFHX-ZDUSSCGKSA-N 479.783 6.000 30 20 JKED O=C(NCc1cccnc1Oc1cccc(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618552158 KRSOTPDNORJLIR-OKILXGFUSA-N 465.369 5.285 30 20 JKED COc1ccc(-c2nnc(Sc3ccc(C#N)cc3[N+](=O)[O-])n2CCc2ccccc2)cc1 619673201 DFGYGUBEDWXXII-UHFFFAOYSA-N 457.515 5.127 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 622600398 WHKOVLYIXYKLHZ-GFCCVEGCSA-N 475.311 5.579 30 20 JKED N#C[C@@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 623759131 XVRIRFBLQUVQRD-AWEZNQCLSA-N 480.393 6.010 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 642712601 VNPKNQVLKMQLGY-UHFFFAOYSA-N 477.483 6.378 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c2ccccc21 648853462 AYMTZKCIXIVTEF-UHFFFAOYSA-N 467.554 5.430 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1 725884815 QNXWFAXXHHLALX-SXOMAYOGSA-N 475.548 5.444 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 726396983 GHAWBGITAAUGSS-SBUREZEXSA-N 479.577 5.364 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 726402585 WUKYXZQZMCACNX-FOIQADDNSA-N 459.999 5.034 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)c1 726413875 VJLPRMZQGNHSGW-QHCPKHFHSA-N 477.630 5.060 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccccn1)c1cccs1 726418461 DATXOFGCCNHVEF-URSBWBDFSA-N 482.606 5.433 30 20 JKED N#Cc1ccc(NC(=S)N(Cc2ccsc2)c2ccc(Br)cc2)cc1Cl 726469908 QZXCOWQRXCGFLL-UHFFFAOYSA-N 462.825 6.439 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)N[C@H](C)c1cccs1 726576305 BEFQZVUNPACSCK-GOSISDBHSA-O 494.706 5.957 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccn3)SC2=S)cc1Cl 726626270 CQPJASBWHVEPOP-NHDPSOOVSA-N 463.971 5.591 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(Cl)c(C(F)(F)F)c1 727256010 QNTSZXXDLHIEOG-UHFFFAOYSA-N 456.877 5.099 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 728766639 DUWWUHCLDITLEM-QFIPXVFZSA-N 480.524 5.415 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(CCCCC#N)C2=O)cc1 728777793 OUYYPAJZLQBMLV-QHCPKHFHSA-N 462.619 5.773 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3ncccc3C)C2=O)cc1 729631308 GOXDDNPTKKLUIW-QHCPKHFHSA-N 476.577 5.306 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CCOCC3CC3)C2=O)c1 730944141 REMHZDZGMPJMTM-QHCPKHFHSA-N 483.609 5.138 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCCSc1ccc(Br)cc1 731136147 OGPLJOIYNSMXFZ-QGZVFWFLSA-N 461.381 5.068 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccc(C)s2)cc1 731305961 QQXSADQSCQGVFR-OPAMFIHVSA-N 495.626 5.492 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2c(F)cccc2Cl)C1=O)Nc1cccc(O)c1 731306019 IQKJAYPXWGCPHR-NRFANRHFSA-N 483.952 5.345 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCc3cc(F)ccc32)C1=O)Nc1cccc(O)c1 731307513 IDJODAPTCXPVRM-GOTSBHOMSA-N 475.545 5.179 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(F)cc1)c1cccs1 731311840 IAHZGMJTEVEOKU-LUZGFVIMSA-N 483.590 5.183 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 743449583 RPKZFQSHPTWJJS-MRXNPFEDSA-N 488.352 5.255 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O 745814686 OTNDRUBAINNSSE-VWLOTQADSA-N 498.608 5.380 30 20 JKED C=CCN(C(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1F)C(C)C 746772717 LYKTZVGPBSIYFU-UHFFFAOYSA-N 481.309 5.111 30 20 JKED COc1cc(/C=C\c2nc3ccccc3c(-c3ccccc3)c2CC(=O)O)ccc1OCC#N 747099684 PKZXUZILHKSXFI-QBFSEMIESA-N 450.494 5.610 30 20 JKED C=CCc1cc([C@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1O 747139748 NLLPIMRPAMEPMR-RUZDIDTESA-N 475.589 5.135 30 20 JKED COc1cc(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)ccc1OCC(=O)Nc1ccccc1Cl 749450974 DFYXXZSBXXUPOP-POHAHGRESA-N 478.907 5.883 30 20 JKED CC[C@H](C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)[n+]1ccc(Cc2ccccc2)cc1 749892781 YWXVOHKXCMETCW-NRFANRHFSA-O 488.677 5.571 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O 799217108 IWJJOKAWBYFDNS-QGZVFWFLSA-N 485.915 5.180 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 837543298 RTBDIQOLJQEHPP-QVKFZJNVSA-N 466.513 5.081 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1 838090443 ZHAYOHSWFLLBMJ-OAQYLSRUSA-N 465.600 5.307 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccc(C(CC)CC)cc1 839406639 IWOIWSLHXZLFCL-UHFFFAOYSA-O 457.663 6.922 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 911527129 WVTZNOLUAAEXMQ-SNVBAGLBSA-N 491.158 5.196 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2cccs2)c1 914691064 LCFAQDZBVFSFHG-ZHRRBRCNSA-N 497.617 5.487 30 20 JKED CC(C)c1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cnn1-c1ccc(C(F)(F)F)cn1 915085155 HJGGXUAVLXRPHA-QFIPXVFZSA-N 489.501 6.317 30 20 JKED CSc1ccc([C@@H](CNC(=O)c2ccccc2SCC#N)N2CCc3sccc3C2)cc1 915634508 FMEJEIXNJZNNQP-JOCHJYFZSA-N 479.696 5.615 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 915860049 FRHOHXRVCPLEDC-UHFFFAOYSA-N 458.518 5.331 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1OC 916135751 NUGRMEXDKLGOFX-XVNBXDOJSA-N 492.380 5.986 30 20 JKED O=C(Nc1cccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1Cl 916154407 IQFIWKJMOGGVOM-XNTDXEJSSA-N 472.349 5.299 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@H]2CCCO2)c1 916210115 ARIVOYKRCNZGKO-FYYLOGMGSA-N 465.619 5.060 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccccc1C 916278051 ZAXXPNORLMZRFR-UHFFFAOYSA-N 466.570 5.286 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)c2cccc(NC(C)=O)c2)cc1OC 916545373 HCOIHXASBNWAMC-OWBHPGMISA-N 481.552 5.470 30 20 JKED N#CCCCOC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1Cl 916612759 ARQTYTHSSMQORR-UHFFFAOYSA-N 468.962 5.196 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(CSc2ccccc2)cc1 916887991 RTVRGVBPCZQQAO-NRFANRHFSA-N 468.550 6.255 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916946285 PKUZFWFIRAXKPM-HXUWFJFHSA-N 458.345 5.473 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 916953617 VLXYDUPXDZAYBY-LADGPHEKSA-N 464.974 5.519 30 20 JKED CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045240 YOKOWSGHIBFNTF-DLBZAZTESA-N 492.498 5.299 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H]1CCN2CCC[C@H]2C1 917665872 LKVHTECVAYBHFF-MIZPHKNDSA-N 497.064 5.236 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)CC1 917673951 KGFHBEZVAYLIIT-JOCHJYFZSA-N 482.625 5.049 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 918546693 CNWSFVYPGIAUHK-ZGPNMMCTSA-N 489.041 5.302 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920109275 NOLZZUGCJJFDMB-IBGZPJMESA-N 491.334 5.933 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 920113373 VZIXDSDMKTWLEW-VNYHRGGBSA-N 482.918 5.356 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c(C)nc4c5ccccc5nn4c3C)n2)cc1 920142563 LGABDEGTAOROSW-JOCHJYFZSA-N 481.581 5.441 30 20 JKED O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1 920945846 HMMVVENKBQQLTI-UHFFFAOYSA-N 466.302 5.159 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)n1 921216512 YNYHERIPJJYBOU-MRXNPFEDSA-N 496.997 6.177 30 20 JKED N#Cc1ccccc1Sc1ccc(NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1 929080313 GCYXSPXUSZDMSV-UHFFFAOYSA-N 451.555 5.485 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)C1 1780015511 DJXYTHIDBVLDCU-NDEPHWFRSA-N 491.657 5.332 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)C1 1780838939 YKCACZUSCFBGPE-IJYYRHRFSA-N 496.598 5.224 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(F)cc(Cl)cc2Cl)C1 1781036867 JTRNUAZHJUBRSD-NTKDMRAZSA-N 485.427 5.252 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCc3ccc(C(F)(F)F)cc3)[C@H]2C1 1784424872 WAEMQMYQIJQHHS-PMVMPFDFSA-N 494.598 5.000 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccn5)nc5ncccc45)CCC3)cc2)C1 1785808607 SNTJXOCUZGSBST-UHFFFAOYSA-N 489.579 5.406 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1 1786367333 KLAWVWMLAWNLPP-UHFFFAOYSA-N 478.486 5.575 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3Cl)CCC2)cc1 1786678276 OUEFGCDBYPUYAS-UHFFFAOYSA-N 494.842 5.164 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)C34CC(C(F)(F)F)(C3)C4)CCC2)cc1 1788649482 LEXWDEIIZDQHLI-CMDGGOBGSA-N 488.531 5.354 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4occc4Br)CCC3)cc2)c1Cl 1790084033 VTEFOORLNZRXDK-UHFFFAOYSA-N 498.764 5.629 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)c1 1790256009 OPXUNQNKQCMGCP-UHFFFAOYSA-N 453.420 5.232 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5Cl)[nH]n4)CCC3)cc2)CCC1 1792231492 SOORTOVWHYQZRA-UHFFFAOYSA-N 473.964 5.172 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn(-c3ccccc3)c1C(F)(F)F)C2 1792572230 NJZIFRZVZDVDFA-FNLKRUPLSA-N 488.554 5.135 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)c(F)c2)C3)cc1 1800543682 SNYPJUQOHXPFRJ-QEIWAGNOSA-N 467.544 5.124 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCC[C@@H]4CCCC[C@H]42)C3)ccc1Br 1800632171 GUWZZSKSZXRWNZ-HFJIGHFISA-N 498.465 5.179 30 20 JKED CC(C)n1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)c(C(F)(F)F)c1 1800690471 LLWQVEDOJRUVBP-BJWYYQGGSA-N 492.929 5.178 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cc(F)ccc2Cl)[C@H]1c1cccnc1 1802489875 AXWKDBZXDWUYRX-CYFREDJKSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1802499095 FTJZZQNLKFNUCL-PGRDOPGGSA-N 457.977 5.186 30 20 JKED Cc1ccc(CCC(=O)N2CCC3(CCCN(C(=O)[C@@H](S)C(C)C)C3)CC2)c2ccccc12 1806069062 XUFFZKLTMDOJQS-SANMLTNESA-N 466.691 5.266 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1808595199 COBRVNMNJSGPAN-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1810175510 ZGCMDFYJOGGCFO-BKSPAHHJSA-N 463.647 5.110 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c(Cl)c1 1810278235 WZZNTBHHHGXISP-ATIYNZHBSA-N 496.127 5.414 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@@H]1c1cccnc1 1811369390 VOSPTKDCQKQPJE-HTZUNMPGSA-N 497.920 5.425 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@H](CNC(=O)c4cc(C#N)ccc4F)[C@H]3c3cccnc3)sc2c1 1811730748 XJUXJXQXFSMUGQ-QFQXNSOFSA-N 498.583 5.249 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1811788301 URQYRGSVDINOTI-KUHUBIRLSA-N 486.321 5.059 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@H]1c1cccnc1 1812591488 HLPIGOJRINSYOV-HTZUNMPGSA-N 497.920 5.425 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cc3cccc(F)c3)cc2)[C@@H]1c1cccnc1 1813229841 CXNYSKUWUUZHHR-BHBYDHKZSA-N 497.614 5.325 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3C(F)(F)F)[nH]n2)C1 1814398536 LSIPXPRBQMVAON-GOSISDBHSA-N 466.891 5.354 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)[nH]n1 1814570270 UWEQBHBLRGRAII-LJQANCHMSA-N 494.393 5.181 30 20 JKED Cc1nc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)c2s1 1814738435 CWWONEXMOWCUEJ-QHCPKHFHSA-N 498.612 5.138 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)[nH]n1 1814829023 JMHXFDIQPIAGMZ-JOCHJYFZSA-N 473.577 5.447 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1814939031 LLXRXXNCIXHKLP-DHLKQENFSA-N 487.044 5.478 30 20 JKED CCC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)n1cccc1 1818059656 HFZWUMAJXSCPLB-SFTDATJTSA-N 478.984 5.084 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820089287 KEDRKEJGPJUMNU-GHTZIAJQSA-N 471.561 5.465 30 20 JKED CCCCCc1cccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)ON=C(C)C)[nH]n2)c1 1820712452 UEGVCAFOVOQYDD-RDPSFJRHSA-N 481.641 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3cccc([N+](=O)[O-])c3)CCC2)n[nH]1 1820841207 QQFYKHXXXRCTQO-JTHBVZDNSA-N 491.592 5.200 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4cnccc4c3)[nH]n2)c(Cl)c1 1821277824 KRDQZMVNPAWHEQ-HSZRJFAPSA-N 484.947 5.103 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821308948 QEENQUIDZWYGKK-SFHVURJKSA-N 487.507 5.290 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CC2)[nH]n1 1821921737 UKDGDUSDWUHVQE-OXJNMPFZSA-N 485.426 5.108 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)[nH]n1 1822403407 HBSNDICSMUSYRI-SHQCIBLASA-N 479.669 5.333 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc(O)cc1 1822466758 MMFKZXWSYKCAKI-UEENZAOLSA-N 488.632 5.131 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccccc3)[nH]n2)c1 1823217188 REKYLTWDOIWXKQ-SPTRTZJMSA-N 467.573 5.146 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)[nH]n2)cc1C#N 1823290523 VMPPPNOCGBSOLK-DEOSSOPVSA-N 497.599 5.106 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3F)n[nH]2)cc1 1823295661 WGJILVNOPMUDOW-FQEVSTJZSA-N 485.441 5.059 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cn1 1823656304 YPBZFVQJYQQYCI-DEOSSOPVSA-N 493.051 5.451 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)c1 1823671303 OYLZHGUQYDWMSZ-GAJHUEQPSA-N 499.442 5.563 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823683322 RZZRDSPRSJAVGT-HYBUGGRVSA-N 495.714 5.353 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1823750961 XXJBWVWEQFWLLJ-HXUWFJFHSA-N 468.560 5.833 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 1824141041 QCVUIVVRHTVALD-OAQYLSRUSA-N 463.544 5.102 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H]2OCCc3ccccc32)CC1 1824424698 VLFICPMELQTXBB-IEUSDUHPSA-N 464.650 5.079 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827517075 ALRWWRPIQQMKSC-HSZRJFAPSA-N 486.056 5.346 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1827529891 VCLDFUQQNGEDMM-XMMPIXPASA-N 497.083 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)CC1 1827711456 BECJYKNHRUMIFL-VWLOTQADSA-N 476.665 5.406 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(Br)nc2C)CC1 1827971186 RFVPCJUDYAPOET-LJQANCHMSA-N 494.499 5.216 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1 1828669347 ZUYAAXNXPZXRBS-JOCHJYFZSA-N 453.652 5.522 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1828821071 IJUZQUGGKRHEPX-BBITVKMKSA-N 468.604 5.743 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 1828823348 FJKFOABBGJQIAC-UKILVPOCSA-N 461.606 5.343 30 20 JKED COc1ccccc1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828904169 RMDGTGOPNJWJBF-AREMUKBSSA-N 496.768 5.299 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1829066205 UYYUDXMEGVEXGE-OAQYLSRUSA-N 479.587 5.255 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829454657 UERCBOFRLJSKAC-YOEHRIQHSA-N 474.454 5.089 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829690168 OEDBTNRBXZAIDI-JOCHJYFZSA-N 456.030 5.437 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1)NC(=O)OC(C)(C)C 1830063875 GFJRTFPMUNQMHS-LOSJGSFVSA-N 497.680 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830474937 QTOWYJMVKIPBKN-CRICUBBOSA-N 499.989 5.792 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c(Cl)c1 1830723044 VDEDTUOBNUNLOE-QHCPKHFHSA-N 495.410 5.284 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830738189 YTLVIYXNBNFHJN-PXGAOIJESA-N 494.394 5.078 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1831374526 FNZRPEAPQZIDDA-HOFKKMOUSA-N 483.656 6.052 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc4ccccc4n3C)CC2)c1 1832629392 OYLSESUYXFMBKT-KPURRNSFSA-N 496.655 5.281 30 20 JKED Cc1cccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635795 SJVVTEBXYZGJGF-CPJSRVTESA-N 461.581 5.308 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)cc1C#N 1832703341 JUBRAIAMYOQCST-HHHXNRCGSA-N 498.627 5.374 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)c2ccccc12 1832999395 ZBZAJQMKEJAKDS-HHHXNRCGSA-N 471.645 5.394 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 10172755 LEZJDUYOFHRSRW-UHFFFAOYSA-O 484.331 5.639 30 20 JKED COc1ccc(OCc2nnc(SCc3cc(C#N)ccc3F)n2-c2ccccc2F)cc1 11022192 QZAGSNBSJAAZQH-UHFFFAOYSA-N 464.497 5.297 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 11459982 IIBBWZWKXVRQLO-UHFFFAOYSA-N 467.890 5.067 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(C#N)cc2Cl)c([N+](=O)[O-])c1 15117003 XZKXYYSYFATJJZ-UHFFFAOYSA-N 457.895 5.127 30 20 JKED CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cccc(NC(=O)c3ccccc3Cl)c2)C1=O 18914571 UOMQBLCHEIQNFX-JWGURIENSA-N 488.927 5.419 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1cccc(Cl)c1 23499482 XAUFAFVNVOKVML-UHFFFAOYSA-N 453.999 5.274 30 20 JKED Cc1sc(/N=C(\O)c2ccc(=O)n(Cc3ccccc3Cl)c2)nc1-c1ccc(F)cc1 29146805 ZSYNEQALRJSZAU-UHFFFAOYSA-N 453.926 5.757 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1[C@@H]1COc2ccccc2O1 30547332 DFIMZCBHFLFTRJ-FQEVSTJZSA-N 483.018 6.046 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2OC)nc2scc(-c3cccs3)c2c1=O 104773052 NCTKLDYSJLNUEU-UHFFFAOYSA-N 497.667 5.132 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1 255881558 ZBQIBUWKVLPKLP-DEOSSOPVSA-N 472.614 5.476 30 20 JKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 480438411 RGTUVVOXWLZUCG-UHFFFAOYSA-N 490.991 5.546 30 20 JKED N#C[C@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1 481833479 ZHIIKBYCRLKLRV-GOSISDBHSA-N 489.906 6.099 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 483382181 WDFNTLQVHSUZFG-VWLOTQADSA-N 499.586 5.247 30 20 JKED Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2ccc(C#N)cc2)c1 504397971 ZYZCQDCGABOJAV-UHFFFAOYSA-N 489.597 5.015 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1 505697780 MXQZLFPBOBGVEK-UHFFFAOYSA-N 461.562 5.163 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 508284015 DOAWQFYPZOAGIV-UHFFFAOYSA-N 495.539 5.113 30 20 JKED CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511337699 BDOMSAKUEWBVIM-QHCPKHFHSA-N 457.530 5.025 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 513529892 CWDRLBUOIILZGQ-IBGZPJMESA-N 485.462 5.239 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3ccc(OCC)cc3s2)nnc1-c1ccccc1F 514294452 AQFMNWUKVYCVQS-UHFFFAOYSA-N 469.567 5.009 30 20 JKED C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1 515792868 XTGIVGVMYMNDFU-FQEVSTJZSA-N 460.553 5.324 30 20 JKED CCOC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(OC)c1 516635464 DMMGJBVDXDTVCA-QHCPKHFHSA-N 459.502 5.175 30 20 JKED Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(OCCCC#N)c3)ccc2C)c(C)c1 517105437 QNSVVZIJNWVALK-UHFFFAOYSA-N 491.613 5.656 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 517524692 FIXQMRHQQAKLQT-YCRPNKLZSA-N 470.019 5.640 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cn1 517530605 SZGXCSDCCFAQNV-KRWDZBQOSA-N 478.574 5.607 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccccc4S[C@@H](C)CC#N)cc3C2=O)c1 518240051 RVNUBKLZUCFCTL-SFHVURJKSA-N 469.566 5.751 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 519433181 VRIARCWWSOGWOG-IFXJQAMLSA-N 462.402 5.488 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1C 519942393 NNRVMOOOIHJYNT-UHFFFAOYSA-N 464.573 5.533 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 520194344 PXROSSHJGGYLCQ-IRXDYDNUSA-N 464.616 5.035 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1CN(C)C1CCCCC1 521083367 RHJSSIQFKAGWMH-UHFFFAOYSA-N 450.583 5.257 30 20 JKED N#Cc1ccc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)nc1 522680196 NCTJCHDSTBVMRP-UHFFFAOYSA-N 456.371 5.290 30 20 JKED CN(Cc1nccn1C(F)F)C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 522910121 CNZYFRTWTQVZRM-UHFFFAOYSA-N 490.379 5.709 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 524327228 FRTJALITDQQXED-UHFFFAOYSA-N 469.560 5.346 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc1 524441488 LEIZWCGGVSPQEC-UHFFFAOYSA-N 460.622 5.054 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1C1CCCCC1 524675882 XQUAOMUIARKENG-SFHVURJKSA-N 453.530 5.221 30 20 JKED O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)s1 590253149 KJPBNEFYLSHTHW-UHFFFAOYSA-N 494.363 6.569 30 20 JKED CCN(CCC(F)(F)F)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 593672852 SRJVJKLKOXRCGY-UHFFFAOYSA-N 482.734 5.373 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 603623566 FLRNEPZUEWNBTO-UHFFFAOYSA-N 499.527 5.166 30 20 JKED CCOC(=O)c1c(CSc2nc(N)c(C#N)cc2C#N)nc2ccccc2c1-c1ccccc1 603913705 HDLRIXGGLUQWEC-UHFFFAOYSA-N 465.538 5.091 30 20 JKED CC(=O)Nc1cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)ccc1Cl 604440173 QWYRFCCDJSWPGS-UHFFFAOYSA-N 478.961 5.153 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c12 604446053 RWHSJWSBMVKZLJ-UHFFFAOYSA-N 454.559 5.066 30 20 JKED N#CCc1ccc(NC(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)cc1 608933114 PFDNVGGZUVGVTL-UHFFFAOYSA-N 478.396 5.717 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)nc1 608994679 PVNAJYLOLQRPIK-HSZRJFAPSA-N 470.964 5.053 30 20 JKED CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609079018 XDZBMUDOKDXWJE-QHCPKHFHSA-N 457.530 5.140 30 20 JKED CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCN(CCc2ccccn2)CC1 609253440 LBHGUVHJISAIOF-AREMUKBSSA-N 488.035 5.561 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c(OC)c1 609402035 WJURNAUKSBZUPC-QGZVFWFLSA-N 469.607 5.376 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 609428611 XHYKAEWHXGLBOX-MBSDFSHPSA-N 478.017 6.234 30 20 JKED N#C[C@@H](C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 613319292 BTFHMOLXBLPGGH-SFHVURJKSA-N 483.778 5.902 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)nnc1-c1ccoc1C 613907960 NVIFAHSFXUNCKO-JOCHJYFZSA-N 464.635 5.786 30 20 JKED O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 616159195 NTYDVEGLBTYJCJ-KBPBESRZSA-N 487.435 5.138 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618295568 TVLRJTYVZZQJIF-NXEZZACHSA-N 458.761 5.645 30 20 JKED O=C(NCc1ccc(F)cc1F)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 621766830 UUIAZTMECSEJIX-UHFFFAOYSA-N 458.305 5.169 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 642281462 GDCRDLSTEFMEHN-RTCIJLJMSA-N 475.614 5.218 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 642281532 HVGGYQCUADPEEG-QHCPKHFHSA-N 487.606 5.515 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1[C@@H]1COc2ccccc2O1 645079260 MVBWJBGCOBPFBS-PDJHCBOPSA-N 465.619 5.243 30 20 JKED Cc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C#N)c(Cl)c2)o1 726408604 ZZVBIJAPWYWJPP-JOCHJYFZSA-N 492.988 5.316 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@H](C)c3cccnc3)C2=O)c1 726422084 SGCAZYZEHQTLLF-RIRGSEAUSA-N 494.642 5.303 30 20 JKED COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728062175 IWESBBOMFUNOLN-HNNXBMFYSA-N 480.908 5.147 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 728150473 RXQIPJFBTTZDKL-ISKFKSNPSA-N 477.486 5.663 30 20 JKED COC(=O)Cc1sc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)nc1-c1ccccc1 728269633 RWBKTCPMBOIBJK-UHFFFAOYSA-N 470.554 5.057 30 20 JKED CCn1cc(N=c2scc(-c3ccc(NC(C)=O)c(SC)c3)n2CCCCC#N)cn1 728776179 LXJGZZMQIPBABR-UHFFFAOYSA-N 454.625 5.040 30 20 JKED CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729552783 KWTCSZFUWQJRKZ-LADGPHEKSA-N 483.490 5.264 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C(=O)OC)co2)[n+]2ccc(C(C)(C)C)cc2)c1 729668760 PDWRWDPGDMTIAX-UHFFFAOYSA-O 465.595 5.265 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 729889347 NXQVQCSLULANNU-RUZDIDTESA-N 453.542 5.267 30 20 JKED COc1cccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)c1OC(F)F 730551110 TZGJZEJLDXKTJK-UHFFFAOYSA-N 462.522 5.070 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O[C@@H](C)C2 730689931 MXGHVMBHVHAACM-OYYDLILQSA-N 486.515 6.017 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc3ccccc23)s1 730710476 MGFWKHDSNJTYJD-NRFANRHFSA-N 487.610 5.160 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)COc1ccc2oc3c(c2c1)CCCC3 731060941 NPMUCKPZZBVYSA-QGZVFWFLSA-N 478.570 5.267 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(C2CCC2)C1=O)Nc1cccc(O)c1 731305361 KBTAVRFZRONRET-GOSISDBHSA-N 464.374 5.212 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4ccccc4S[C@@H](C)CC#N)cc3)ccc12 731332277 HVJLWLFNWMEIHT-IBGZPJMESA-N 484.577 6.327 30 20 JKED C[C@H](CC#N)Sc1ccccc1N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 731338483 AGSSDGRTQOSCSY-PBEQFFAXSA-N 473.985 6.374 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2sc(N(CC)CC)nc2s1 744935659 BTOYYQVYHMUVKX-INIZCTEOSA-N 454.621 5.290 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cscn2)c1 748532288 QMBKPRQUWTZEIU-UHFFFAOYSA-N 483.398 5.188 30 20 JKED CCOc1cc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)O)c2)cc(Br)c1OC(F)F 750908762 GXVHAELGLNZYGW-ABZNLYFFSA-N 485.277 5.197 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)n(Cc2ccc(F)cc2)c1C 758022594 ZZYWZXWXJKCFTM-UHFFFAOYSA-N 474.319 5.266 30 20 JKED N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)cc1 762445597 URDVTUKKNAZETQ-UHFFFAOYSA-O 450.543 5.961 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)c1 837344385 BPIGGNYHTDLTPM-HXUWFJFHSA-N 469.563 5.056 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 837425472 PBFNMZFFVXGVOA-JPYJTQIMSA-N 476.577 5.559 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1ccccn1 838514119 MAAGVRTWFANFGO-OAQYLSRUSA-N 498.967 5.043 30 20 JKED CSc1ccc(C(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1NC(C)=O 876394397 VGKQVYYCTDJGOT-UHFFFAOYSA-N 490.606 5.571 30 20 JKED N#Cc1ccc(OCc2ccc(-c3nc(-c4cccc(OCc5cccnc5)c4)no3)o2)cc1 904504806 BXGBFPSASMCHKW-UHFFFAOYSA-N 450.454 5.421 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)c(C)c2c1 912585234 PCUXWCGTKSXEST-FQEVSTJZSA-N 460.530 5.063 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 914795932 OPLPNLDTTHIIQV-FOLVSLTJSA-N 471.848 6.031 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc1 915087635 WFIKNEGLYBHNHE-VWLOTQADSA-N 492.560 5.155 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 915104178 MSMIOJKPLQSVRK-MRXNPFEDSA-N 475.492 6.081 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(CC3CCC3)C2=O)c1 915116601 KSHBMUVWXVQDAI-HXUWFJFHSA-N 489.544 5.057 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2ccc(Cl)cc2Cl)cs1 915924755 GOQFAJYNLRPMAO-UHFFFAOYSA-N 498.848 6.108 30 20 JKED CCCN1C/C(=C/c2cc(Cl)c(O)c(OC)c2)C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)C1 916137743 RGYLZYOBJYCIIV-DQCYIKBWSA-N 478.372 5.184 30 20 JKED COc1cccc(NC(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)c2ccccc2)c1 916156294 RLWYZHLTWNAEEW-XDHOZWIPSA-N 452.304 5.068 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)cc1OC 916205637 IKOHYLDGKRBXFI-DEOSSOPVSA-N 489.597 5.173 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1Cl 916209929 VIVWQQPVVLQYKO-GOSISDBHSA-N 499.942 5.356 30 20 JKED Sc1nnc(-c2ccco2)n1N=Cc1cc(Br)ccc1OCc1ccccc1 916318558 JCJMOGRXSRXHCU-UHFFFAOYSA-N 455.337 5.051 30 20 JKED N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 916938881 MLIKWBYTLCEKKP-VIFPVBQESA-N 450.080 5.166 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944277 AQCVDTHFMUDANQ-FQEVSTJZSA-N 480.355 5.086 30 20 JKED COc1cccc(COc2cccc(Cl)c2C=Nn2c(S)nnc2-c2ccccc2OC)c1 917535611 DQSGMTHPYMBUIL-UHFFFAOYSA-N 480.977 5.366 30 20 JKED Cc1ccc2nc(-c3ccc(N=C4SCCCN4C(=O)CSc4nncs4)cc3)sc2c1 917557143 YXBOFSDLHZKCHR-UHFFFAOYSA-N 497.696 5.869 30 20 JKED N#CCCCOc1cccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)c1 917601800 BDYCWUIQGUFWRO-OQKWZONESA-N 457.917 5.663 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc2ccccc2c1 917699666 DWOHPWUAYXWMBF-DEOSSOPVSA-N 489.597 5.039 30 20 JKED COC(=O)C1=C(C(=O)c2c(F)cccc2F)[C@H](c2ccsc2)NC(=O)N1c1ccc(C)c(F)c1 918082918 HWSKVSSGRJCZBW-FQEVSTJZSA-N 486.471 5.055 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nnco3)cc2)ccc1Cl 918583964 IYAAXWGHBQBDMS-UHFFFAOYSA-N 494.960 5.024 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3c(Br)cc(C)cc3C2=O)cs1 920066276 OEOWEKRZWCSEDC-ZROIWOOFSA-N 487.350 5.696 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 920108190 BWOOOCWQBCDMAO-MGPUTAFESA-N 467.978 5.527 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3c(C)noc3C)C2=O)c1 920352536 OIDDKSSMSJINDF-JOCHJYFZSA-N 492.601 5.077 30 20 JKED CN(C)C(=O)COc1cccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 920481049 TULXEABRGSDMKB-XFXZXTDPSA-N 497.378 5.609 30 20 JKED CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 921115461 GEYWAXVFRREXNE-JOCHJYFZSA-N 478.593 5.243 30 20 JKED C=CCn1c(SCC(=O)N2Cc3ccccc3[C@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 922304237 HJNHGZRRXOLKFB-OAHLLOKOSA-N 473.429 5.676 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CCO2)C1 1779244427 QVAFVVCAPXSJPZ-ABYGYWHVSA-N 496.598 5.321 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)cc2C)C1 1781163822 POGCHQYNALIFPY-PXDATVDWSA-N 481.464 5.422 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)ccc4[N+](=O)[O-])CCC3)cc2)C1 1785810282 LDLFNSUWVJHMCT-UHFFFAOYSA-N 484.350 5.071 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C4(C)CCC(NC(=O)OC(C)(C)C)CC4)CCC3)cc2)C1 1785810636 YEXPYKUGFGSFHD-UHFFFAOYSA-N 495.664 5.560 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Cl)ccn34)CCC2)cc1 1785841952 FWOSZVISPKSBBT-UHFFFAOYSA-N 464.997 5.728 30 20 JKED Cc1ccc(OCCC(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)cc1 1785968735 DJZPALRGOLLXBZ-UHFFFAOYSA-N 453.542 5.084 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(F)(F)F)nc4ccccc34)CCC2)cc1 1786359704 RLIWXHOPRFOLAS-QGZVFWFLSA-N 495.501 5.040 30 20 JKED CC(C)n1cc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)c(C(F)(F)F)c1 1787878432 OYZKSXDYZJQVRI-UHFFFAOYSA-N 458.484 5.139 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)c1 1788363151 FAEVDTLFFABQBY-UHFFFAOYSA-N 495.627 5.087 30 20 JKED Cc1nc2cc(C(=O)Nc3ccc(C4(NC(=O)C#CC5(O)CCCCC5)CCC4)cc3)ccc2s1 1789047311 CXTQGDZWTFDESL-UHFFFAOYSA-N 487.625 5.051 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789199803 YYFHGAMRROTXDU-CUNXSJBXSA-N 499.627 5.238 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cc2)CCC1 1789225132 WWBUJHDXPZBICC-UHFFFAOYSA-N 452.352 5.254 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4cc(Cl)ccc34)cc2)CCC1)C(F)(F)F 1789350745 FZXDKRCDBJIOCC-UHFFFAOYSA-N 462.859 5.083 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(OC)nc34)cc2)CCC1 1790023927 DKANXFNSKWTSBF-FQEVSTJZSA-N 458.562 5.088 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cc5cccnc5cc4F)cc3)CCC2)c1 1790477495 ZHQQEHYTOWVFNK-UHFFFAOYSA-N 478.527 5.236 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4onc5ccccc45)cc3)CCC2)c1 1790902890 OQKBICQYFUHPGR-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)CCC2)cc1 1791577671 QOGWRJBMVRIEKW-INIZCTEOSA-N 469.607 5.100 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4[nH]cnc4-c4cccnc4)CCC3)cc2)c1 1792125443 ZSBIVZWDEAKSQH-IBGZPJMESA-N 490.567 5.160 30 20 JKED C#CC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c3ccc(Cl)cc3)cc2)CCC1 1792203913 ITBXNMSAGHUATR-QFIPXVFZSA-N 496.007 5.063 30 20 JKED CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C#N)CCC2)cc1)C1CCCCC1 1792209093 VOYWGTOVJXQHJB-JOCHJYFZSA-N 496.652 5.144 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c[nH]c3cccc(Cl)c23)c1 1798246076 GAVCQAAUYXUDPG-GEALJGNFSA-N 460.965 5.014 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1802503705 RVHFVLQKYPITJR-WIYYLYMNSA-N 477.527 5.314 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@H]1c1cccnc1 1803091434 GGZTZAASCIINNB-JPYJTQIMSA-N 473.951 5.101 30 20 JKED Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(OC(C)C)c(C#N)c3)sc2c1 1803842140 YNEAGDWEPDWEEP-NUNAXRQHSA-N 487.625 5.434 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1C(F)(F)F 1803892501 LLXRETSRNPVEDS-MHORFTMASA-N 454.920 5.379 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1 1804176421 PLFKCIOENYZPHA-RPLLCQBOSA-N 491.701 5.217 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCNc3ccc(C)cc3C)CC2)C1 1804861971 DUVIQPNPCCCBGW-UHFFFAOYSA-N 453.671 5.329 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1 1804865943 DIKHZCHCXOGGNR-OFNKIYASSA-N 450.627 5.019 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809440533 GAMKSSZUWWEACD-WLENULPWSA-N 499.036 5.070 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810238776 ATOOUBPNPPHVEO-XRNNXZOBSA-N 477.674 5.694 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1810447322 LNVHKTUETZYHSF-IAYSKZJSSA-N 493.651 5.478 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[C@H]1c1cccnc1 1810469054 OLROLDRFHGLBOS-XSBVVTFOSA-N 475.539 5.175 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@H]1c1cccnc1 1810494341 DVBUNGXMDDSHNY-AWVPAEOTSA-N 470.617 5.275 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1810494882 MZFHXVTXAYQTGE-DHLKQENFSA-N 468.041 5.366 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@H]1c1cccnc1 1812590554 KUDHYFDJUQWEAV-OPWBJGKSSA-N 489.566 5.559 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)c1 1813870096 XPBULBSOLQXWSB-RQADYFSKSA-N 487.003 5.304 30 20 JKED COc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C(C)(C)C#N)n[nH]2)cc2ccccc2c1Cl 1814569422 NIBDBPXJWDLXRN-IBGZPJMESA-N 479.968 5.081 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)[nH]n1 1819307864 PATCAZLHWPIUTK-ICSRJNTNSA-N 460.500 5.503 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1 1819385311 QLWCQNRJTXRWLR-QFIPXVFZSA-N 475.669 5.248 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820100611 IZUIKCZRUDKSFJ-OXQOHEQNSA-N 461.591 5.395 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)[nH]n2)c1Cl 1820218691 BCGRVEBZKHMDER-OAQYLSRUSA-N 490.926 5.175 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)ccc2O)n[nH]1 1820461334 PPOWHPAWPXMVTM-GOSISDBHSA-N 489.414 5.176 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1Cl 1820548659 KFTQJEBCQXYSRP-NRFANRHFSA-N 495.942 5.092 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821569166 FMHQLMLWYGKKHB-YCRPNKLZSA-N 451.958 5.129 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3F)[nH]n2)c1 1823216593 XGGFFFOTGSVZKC-KOSHJBKYSA-N 473.552 5.115 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC3Cc4ccccc4C3)n[nH]2)c1 1823560793 YIWCBIBFWRRKMR-NIYFSFCBSA-N 481.600 5.148 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1824509701 FKNOJHDOQPQSJD-WXVAWEFUSA-N 476.617 5.303 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1824542597 ZRWGKOQTVVKBRX-AZUAARDMSA-N 475.457 5.320 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824786028 AGVYDRNNYLUECS-QHCPKHFHSA-N 491.717 5.294 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c1 1825855781 WACXRFMMQCYOIW-HXUWFJFHSA-N 456.011 5.129 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CC1 1826682465 VHSCYHAQJKYRSX-RUZDIDTESA-N 480.612 5.143 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccccc4c3Br)CC2)CC1 1826682821 BOXMIFHMPSNNNS-JOCHJYFZSA-N 494.433 5.139 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360185 GHSJJQBWZDPTBQ-SHEYNDHISA-N 475.633 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1828826743 BGJJFPGGDQHULE-IZZNHLLZSA-N 494.676 5.486 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1828827109 HMFKFYAKTWTMSG-QPPBQGQZSA-N 454.014 5.213 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1 1828827259 TZPYMECGOBHLMM-ICSRJNTNSA-N 464.437 5.390 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1828829625 FMWAJIYFPLOFHT-NFBKMPQASA-N 491.047 5.418 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2c(C)cccc2C)CC1 1829097857 IQIIPQQXXMWEJG-XMMPIXPASA-N 454.680 5.209 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829706659 UNDWUYKRKNMBHR-HOYKHHGWSA-N 454.611 5.044 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1830015108 IIEKBPMLZRUEKI-QFIPXVFZSA-N 470.400 5.412 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)c(C#N)c1 1830288446 KUCKDXHFLZZKGY-HPJWIMSGSA-N 493.692 5.191 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1830631833 PTHLQKQEDIUIRY-VWLOTQADSA-N 490.003 5.699 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1 1830632825 ZVGKQDDNPLJKEO-XMMPIXPASA-N 467.972 5.092 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(F)c(OC)c2F)CC1 1830712683 LDDIYUAJBDQCAV-FQEVSTJZSA-N 492.607 5.208 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830714663 DWIICBXFAGUSEL-DEOSSOPVSA-N 467.972 5.206 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720826 ILNVYPFIBSWQJH-XMMPIXPASA-N 467.972 5.206 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1831444895 YYAVKAZEWTZKPE-DEOSSOPVSA-N 469.576 5.435 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1831851980 IUBAQMPSYPRARI-HXUWFJFHSA-N 453.385 5.169 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1)c1ccccc1 1832198664 RNYGCJZXNVKEIL-DTGGOYBASA-N 483.656 5.302 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1832905577 YDBLONUCBMICPJ-MDRMPYQZSA-N 467.610 5.220 30 20 JKED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)c1c3ccccc3n3ccsc13)C2)c1ccccc1 1844336377 LKBPMXUBRDLKCJ-QFIPXVFZSA-N 481.621 5.168 30 20 JKED COc1c(C(=O)N2CCCC23CN(C(=O)c2cccc(C#N)c2Cl)C3)cc2ccccc2c1Cl 1844753498 XTPSYQWCWPTTJG-UHFFFAOYSA-N 494.378 5.158 30 20 JKED C[C@H](OC(=O)c1ccccc1OCc1ccccc1Br)C(=O)Nc1ccccc1C#N 10824875 UEVWSDGNRMBICX-INIZCTEOSA-N 479.330 5.084 30 20 JKED CC(C)OCc1c(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)oc2ccccc12 11242563 WFISCMWLQIUPQR-UHFFFAOYSA-N 454.910 5.115 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1cccc(O)c1 11257071 YFBGTAQOUJKXOS-UHFFFAOYSA-O 476.803 5.455 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccoc4C)n3C)c2C#N)C1 14063654 CNWNXFLIHCBNBO-OAHLLOKOSA-N 483.663 5.589 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 18580790 WWIRIJVODMZOGO-GFCCVEGCSA-N 465.815 5.107 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(Br)cc1 22217587 UMDBNXHMIHLNPX-LBPRGKRZSA-N 495.805 5.805 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 22729752 DYXGCTDXOVPUEY-UHFFFAOYSA-O 479.669 6.849 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(O)c2)cc1 22730132 PVUHYZGVBPOIPY-UHFFFAOYSA-O 455.559 5.831 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc(CC)cc2)cc1 22731738 VBLQTZIITJJOGI-UHFFFAOYSA-O 489.539 5.885 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23604399 URPVFICVSOYKLJ-UHFFFAOYSA-O 488.555 5.747 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccc(F)cc1 24014776 WAQWUWULLIPEBT-ZWKOTPCHSA-N 460.578 5.781 30 20 JKED CCOc1ccc(-n2c(SC[C@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCCC4)cc1 24094160 XWVDFDAUNNAKJK-INIZCTEOSA-N 464.616 5.260 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)n1 26143623 BRENYAFUIQPMBJ-GFCCVEGCSA-N 472.330 5.182 30 20 JKED C=CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O)c1nc(-c2ccccc2)cs1 26769901 NGRBIKNZDFQWKE-UHFFFAOYSA-N 496.514 5.516 30 20 JKED C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 26982377 USRJHQYYPDZUSU-MRXNPFEDSA-N 474.565 5.328 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 28694416 YDEHDFISXDRNNK-UHFFFAOYSA-O 492.665 5.156 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cc(Cl)ccc3I)c2)c1 32291493 JQNDYEHHKLPFOB-UHFFFAOYSA-N 488.712 5.648 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nc2cc(Cl)ccc2c1=O 32316764 JAMNHXONLYTFGA-IBGZPJMESA-N 495.954 6.010 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)cc1 46893630 ILFZKPWZNBSOPX-RCZVLFRGSA-N 471.988 5.795 30 20 JKED COc1cccc(/C=C\C(=O)c2sc(/C=C/c3cccc(OC)c3OC)nc2C)c1OC 96316147 HSMISUICERBSGM-PMJBJKLVSA-N 451.544 5.552 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1csc(N(C(C)=O)c2ccccc2)n1 96828906 VZVHKYRVNJLAGE-XFXZXTDPSA-N 458.008 5.771 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)c(OC)c1 195595149 QBEFKWZHWZNKMU-UHFFFAOYSA-N 459.329 5.935 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccncc1 255930050 VCOJEAHIUZCHRN-CYBMUJFWSA-N 484.557 5.047 30 20 JKED C=CCn1c(-c2sc(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)nc2C)n[nH]c1=S 303001870 HYAPKMSKVYITRK-UONOGXRCSA-N 476.425 5.063 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](CCCc3ccccc3)c3ccccc3)CC2)c1 409455318 XAFRGGOUOPDGCD-MUUNZHRXSA-N 480.612 5.683 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 477223774 XNRVTMKOHWMZAJ-QHCPKHFHSA-N 463.969 5.239 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)c2)cc1 482082612 ZOQXIYFBJIGIQB-UHFFFAOYSA-N 466.522 5.611 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 499055613 NNASNYQQGAOURY-KRWDZBQOSA-N 451.979 5.703 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 507886603 IAKYPKLDHPCTPU-UHFFFAOYSA-N 453.498 5.716 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)[C@H](C)c1ccc(C#N)cc1 509605284 PMVNZGFYKXEPFQ-MRXNPFEDSA-N 485.968 5.375 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)c(C)c1 515471479 ZWPMZSUSLKFYBS-UHFFFAOYSA-N 481.596 6.075 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 515540515 ZETLRWQGUNIXAH-AWEZNQCLSA-N 484.915 6.197 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(OC)cc1 515918169 RYDYGVNDMZHYJQ-JOCHJYFZSA-N 463.921 5.219 30 20 JKED COc1cc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1OC1CCCC1 516746257 FRHZTMDAZYCXNN-UHFFFAOYSA-N 499.567 5.244 30 20 JKED C=CCN(C(=O)Nc1cccc(CSc2ccccn2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518255401 BNLJHWSDHLMHNP-LJQANCHMSA-N 471.590 5.131 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(=O)N(CC=C)Cc2cccc(C#N)c2)s1 519495376 DQNRKIBIVBHZGO-UHFFFAOYSA-N 480.593 5.148 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 521122913 HNNBEZJESHTNQX-DEOSSOPVSA-N 454.530 5.606 30 20 JKED CSc1nc(O)c(C(=O)Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1C#N 521327399 IMBHBJSIOPKYSU-UHFFFAOYSA-N 486.475 5.213 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)n1 521502495 QCLSNZFUPKJGLB-HHHXNRCGSA-N 450.542 5.122 30 20 JKED O=C(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 522062257 OSDCOEISOLGLJG-NXEZZACHSA-N 486.409 6.320 30 20 JKED CCC[C@H](C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 522583227 ODDYFUGWHHNDOI-QGZVFWFLSA-N 474.417 5.201 30 20 JKED C=C(C)COc1cccc(NC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1 524305421 LLGZGZNHLWJAPD-UHFFFAOYSA-N 466.582 5.254 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2n[nH]c(/C=C/c3ccccc3)n2)n(C2CCCCC2)c1C 598952722 DMSUDUWFDJWTGF-BUHFOSPRSA-N 460.607 5.501 30 20 JKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(NC(=O)c2ccccc2)c1 603682112 PTWXYDKTTNJELN-QFIPXVFZSA-N 461.565 6.240 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cn2)c1 603692215 DJPQWWIHFROVJJ-UHFFFAOYSA-N 461.953 5.185 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)c2ccccc2I)cc1)c1ccccc1 603754059 UZQNJSWJWAKKBN-UHFFFAOYSA-N 482.321 5.376 30 20 JKED N#CCc1cccc(C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)c1 603784105 HYIXCBRUOQYWHO-UHFFFAOYSA-N 460.342 5.113 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 604396922 UHACCRCUKWRDBO-JTSKRJEESA-N 499.011 5.165 30 20 JKED COc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 604476656 VMANVNQGHNURSW-QGZVFWFLSA-N 477.948 5.089 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(Cl)cc1 609085093 KDUKNUOYQZVBCZ-QHCPKHFHSA-N 461.949 5.305 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 609088497 ZVFCAUSFSFYWKB-UHFFFAOYSA-N 482.367 5.050 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1Cl 609206182 DDZSZXNRCHSNJF-RUZDIDTESA-N 471.944 6.528 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3SC[C@@H](C)C#N)[C@@H](c3ccco3)C2)cc1 609384673 GPAIJVYGDZSRJS-FDDCHVKYSA-N 474.586 5.330 30 20 JKED COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2)cc1 609430874 ZZYNHTWPEDFIGA-GOSISDBHSA-N 495.626 5.451 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc2cc(-c3ccccc3)sc2c1=O 613960655 PANWMELNQHWSRS-MRXNPFEDSA-N 493.576 5.204 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(=Cc2cccc(F)c2)CC1 615683179 PXJBAFGLAVWGNY-VQFNDLOPSA-N 452.414 5.924 30 20 JKED O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 622523583 OMDSWKIVBXRFGO-UHFFFAOYSA-N 472.364 5.160 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1SC 645079451 JRTKAINXDRUGGP-OAHLLOKOSA-N 475.039 5.538 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1nc2cc(C(F)(F)F)ccc2s1 726322836 OYRYOAHXPMQZOZ-CQSZACIVSA-N 487.484 5.586 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 726395764 BESCTQCIUAXZTJ-ORAYPTAESA-N 498.407 5.518 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccccn1)c1cccs1 726421135 LBHZCQWJVQBGJE-RXANHFPOSA-N 485.034 5.387 30 20 JKED Cc1nn(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1[N+](=O)[O-] 726731540 LLJRAVCZWUFAQL-AWEZNQCLSA-N 464.334 5.105 30 20 JKED C=CCOc1ccccc1CN(C(=S)NCCc1cccs1)c1ccc2c(c1)OCCO2 727694134 QDCJPCCKMDUFND-UHFFFAOYSA-N 466.628 5.208 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 728181503 LJDIZTYZPGRNJD-BUHFOSPRSA-N 454.595 5.215 30 20 JKED CCCC[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OC)cc1 728758145 SKKFSISXCRDSQB-IZZNHLLZSA-N 455.558 5.337 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCCC#N)c(Cl)c1 728778530 CVWYUHKCNNEXCS-HXUWFJFHSA-N 469.010 5.611 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2CCCCC#N)cc1 728778589 SUKRUZRTRYPZSV-QHCPKHFHSA-N 462.619 5.142 30 20 JKED CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 729320133 WPRIVYWSOYZSSY-CTNGQTDRSA-N 474.026 5.580 30 20 JKED COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC 729375436 FGMOHUYUEKCJJX-UHFFFAOYSA-N 493.519 5.872 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(NC(C)=O)c1 729634601 OVXYYZCMTBOPJK-HSZRJFAPSA-N 496.633 5.050 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1C[C@@H]1CCCO1 730525562 UGHHWKFYNDPOLD-REWPJTCUSA-N 465.619 5.005 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(Cl)c2)s1 730719493 GCGWGEWEYIWXHY-KSSFIOAISA-N 486.022 5.221 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1cccnc1 730942518 QVHAWKHRBHGJMJ-PGRDOPGGSA-N 476.577 5.559 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCOCC2CC2)C1=O)Nc1ccccc1F 730943637 IEGHESQUEBPOQB-FQEVSTJZSA-N 493.963 5.005 30 20 JKED N#Cc1cccc(COC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)c1 731099344 ICVSPDSHPHYALH-UHFFFAOYSA-N 456.758 5.106 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1C 731310203 CJDBRFPAERNKCH-NRFANRHFSA-N 490.025 5.131 30 20 JKED COc1cc(/C=C2/SC(=NN=C(C)c3cccc4ccccc34)NC2=O)cc(Cl)c1O 733782802 FSNYVAWBEWWGER-QRGXSCNXSA-N 451.935 5.192 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccc3cccnc23)C1=O)NCc1ccccc1 744994134 WPMVUKLIFKXJQO-DEOSSOPVSA-N 498.583 5.212 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C[C@@H]2CCCO2)c(Cl)c1 745989116 LIYHBSSPTAUGCB-OXJNMPFZSA-N 490.000 5.235 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cc(C)cc(C)c1 746697897 PFJIHGYWWICIKD-QFIPXVFZSA-N 453.608 5.080 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccc(OC(F)F)cc3)s2)cc1 818249076 OZPQIUSHGGNFGH-UHFFFAOYSA-N 473.486 5.354 30 20 JKED CC(=O)Nc1ccc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 832919984 LVFODHCHESWFMQ-GORDUTHDSA-N 484.318 6.353 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837359572 HMDQJXJJLMAQNZ-NYHFZMIOSA-N 496.539 5.090 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N([C@H](C)c3cccnc3)C2=O)c1 837643503 PMXZRTCGNUQAHM-DVECYGJZSA-N 488.613 5.429 30 20 JKED CC(C)n1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c(C2CCOCC2)n1 856649152 YDAMSMJOOMSSSM-UHFFFAOYSA-N 498.505 6.293 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 914680358 SCHNBCDCSYFWAM-CQSZACIVSA-N 491.491 5.124 30 20 JKED N#CC(CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)(c1ccccc1)c1ccccc1 914897696 IOXBDEFAUKKVPA-QHCPKHFHSA-N 467.569 5.374 30 20 JKED C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1)c1ccccc1 915087080 PZSUYRCHSVLYJU-RBTNQOKQSA-N 495.604 5.634 30 20 JKED N#Cc1ccccc1NC(=S)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 915994359 LPBWMUYNYSRCSN-UHFFFAOYSA-N 477.398 5.475 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccccn3)C2=O)cc1 916208069 SJFOARLXBSXOJE-QHCPKHFHSA-N 458.587 5.167 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(C[C@@H]3CCCO3)C2=O)c1 916209835 RYXUBLXRJJSJJF-UWJYYQICSA-N 472.010 5.096 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC(F)F)cc1 916209995 XQNFCBOGEFTKGZ-QGZVFWFLSA-N 499.461 5.453 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1F 916217501 OKFRBKWVUXIBOU-MBSDFSHPSA-N 477.561 5.118 30 20 JKED N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc(-c2ccc(Cl)cc2)cs1 916628438 RZHUCIWEBICAQW-YMBSLFMGSA-N 475.839 6.374 30 20 JKED N#C[C@H](C(=O)COc1ccccc1-c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916845749 HSOYKSTVOBGTCD-LJQANCHMSA-N 455.539 5.198 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC1CCCC1 916906985 GJIWOKIOWGRHAY-JOCHJYFZSA-N 470.525 5.770 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916926146 SWKYKCKFBOTABX-KXPUMZMLSA-N 470.369 5.484 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)cc1Cl 916938421 AJJXYQSGOCJWNY-OAHLLOKOSA-N 465.333 5.007 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042233 DTLUXZNFSUBKRX-WOJBJXKFSA-N 493.510 6.053 30 20 JKED N#C[C@@H](C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1nc2cc(Cl)ccc2s1 917045893 CBEIRGRTRLTKSD-INIZCTEOSA-N 476.970 5.265 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)cs1 917560014 PSCCUEYQAQXCQZ-BUVRLJJBSA-N 482.565 5.436 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2ccc(I)o2)cc1 917803508 FMAPIUFLFATLED-ZRDIBKRKSA-N 484.293 5.181 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 918554014 HVPJPDRAYGMTDW-OAHLLOKOSA-N 486.391 5.151 30 20 JKED N#CCOc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 919815243 GEQCYMWCMRGQOP-OAQYLSRUSA-N 486.424 5.487 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 920105623 IEHMFLHLSYGWKD-QFIPXVFZSA-N 470.912 5.331 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(OCc4ccccc4)cc3)n2)cc1 920140861 KGJDWRSIFQOGJT-XMMPIXPASA-N 465.534 5.516 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccc(C(F)(F)F)cc2)C1=O 920170513 NNAZWMQWRPXUDG-MRXNPFEDSA-N 490.334 5.280 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1c(C)noc1C 920353884 VWRGVDIKEHNLBH-NRFANRHFSA-N 482.993 5.414 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 920355466 MVFDKJLBXDTIBR-FQEVSTJZSA-N 468.966 5.105 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 920867490 SNISGMKGCBHWCY-AUUYWEPGSA-N 497.514 5.087 30 20 JKED N#Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)cc1Cl 929084633 GXABJSGYWBRJTN-UHFFFAOYSA-N 487.915 5.796 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(Cl)c(Cl)c1)C2 1779275166 LVRNXWXSSYTIGE-WPSZSDGUSA-N 499.866 5.543 30 20 JKED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CCCCCCCCCCc1ccccc1)CCO2 1783919491 CXXLZYOPMVUTQD-NDEPHWFRSA-N 454.655 5.146 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)CCc4cnc5[nH]ccc5c4)CCC3)cc2)cc1 1785797428 KHNOYGIOAWYKDZ-UHFFFAOYSA-N 491.595 5.134 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1786104437 SYNHXVMAWBCZFH-QHCPKHFHSA-N 493.648 5.146 30 20 JKED Cc1cnc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#Cc5ccccc5)cc4)CCC3)cc2)cn1 1787339952 QSHFOQUPOWVOMI-UHFFFAOYSA-N 486.575 5.246 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)c4ccccc4c3)cc2)CCC1 1788518814 NUCCATLGLFHWHF-UHFFFAOYSA-N 462.347 5.264 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3nc(C)oc3C(F)(F)F)cc2)CCC1 1788613299 SJTKDQIXOSICJZ-UHFFFAOYSA-N 461.484 5.518 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5ncsc45)cc3)CCC2)ccc1F 1789344456 REVQMKGUIPHGKI-UHFFFAOYSA-N 484.556 5.297 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4Cl)cc3)CCC2)c1Cl 1789729757 JGGTZIXPEKOFOJ-UHFFFAOYSA-N 465.340 5.322 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccc(F)cc4)CCC3)cc2)c(C#N)c1 1790472151 RCVFXIXAPCWVOG-RRPNLBNLSA-N 497.570 5.186 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4ccccc4)n3)CCC2)cc1 1790568693 YBTMYQCTGUFRJV-FQEVSTJZSA-N 470.573 5.297 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790708115 REYVUNDRSYGBRB-UHFFFAOYSA-N 455.558 5.858 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C(F)(F)F)CCC2)cc1 1791299999 YGHVPLJIIGQEPP-UHFFFAOYSA-N 456.411 5.566 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5cc(F)ccc5n4)CCC3)cc2)c1 1792123588 KLAISIZXQRBYAY-GOSISDBHSA-N 481.531 5.162 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(=O)N(C)C)c3)cc2)CCC1 1792200447 ZCLATIGBPGYFLT-UHFFFAOYSA-N 461.606 5.129 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(-c2ccccc2)cn2ccccc12 1799193718 YYMRBTIRGMLDRL-WKCHPHFGSA-N 463.528 5.070 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1803091787 RENSGRMPMUZDNU-WZONZLPQSA-N 473.951 5.101 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[C@@H]1c1cccnc1 1803213028 SIBQPEIGKDKVCX-XAISMOLKSA-N 481.587 5.162 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1806016040 DVOSDVOXXDSGIW-RUZDIDTESA-N 475.073 5.294 30 20 JKED N#Cc1cc(C(=O)N2CC[C@H](CNC(=O)CCC3CCCC3)[C@@H]2c2cccnc2)cc(C(F)(F)F)c1 1806207156 QFYOBGMMNAKKAB-BWKNWUBXSA-N 498.549 5.262 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccnc3C(C)(C)C)[C@@H]2c2cccnc2)c1 1807784637 HJCIEFFRFLMXPS-ZOSUSCCZSA-N 495.627 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1807968757 YBMBTHMFSRMBTR-FPOVZHCZSA-N 451.592 5.201 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccnc1)c1ccccc1 1810444778 UIDHBQTZTISHBC-FULLSBAXSA-N 483.587 5.046 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CSc2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1810448116 ZNFGQILXTPRRSE-WGHVJBFBSA-N 497.664 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1810492477 OIFMOTFJVYAQRU-ZEQKJWHPSA-N 465.613 5.242 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3sccc3Cl)[C@H]2c2cccnc2)c1 1811095533 FJLQGDRBOYCNDL-BSLALVQMSA-N 479.005 5.057 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccccc3CSc3ccccc3)[C@H]2c2cccnc2)C1 1811689237 IOPMMZQIXJKINU-QDPGVEIFSA-N 497.664 5.660 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1812127825 QSIBUSOLFXZRSZ-WMZHIEFXSA-N 464.635 5.245 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812669180 ULPTZMPKVDRPCB-ACIOBRDBSA-N 489.994 5.392 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1812804990 YNISNLSTILMEHD-LEAFIULHSA-N 474.649 5.198 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1813057974 KEMKKGAULPPMHC-LVXARBLLSA-N 461.650 5.572 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@@H]2c2cccnc2)c1 1813867176 DMYLPJSPUFSWHG-FTGWLVSGSA-N 490.966 5.135 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4nc(C)sc34)sc2C1 1818142710 ALBNIIMCIYCNDM-MRXNPFEDSA-N 466.632 5.055 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165418 UPNXQGXDULUYRB-OXQOHEQNSA-N 466.969 5.841 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cccc2ncsc12 1819152252 IMEOQECIAHGVOJ-OAQYLSRUSA-N 489.988 5.030 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)[nH]n1 1819304897 MCWICSSHRLXNNZ-LAUBAEHRSA-N 491.419 5.556 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)[nH]n1 1819555912 JKLQFKVDFAWZMY-QHCPKHFHSA-N 477.584 5.324 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)[nH]n1 1819556025 PCRKSKHBKKTYSU-FQEVSTJZSA-N 483.016 5.167 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC3CCC(C)(C)CC3)n[nH]2)c1 1820979497 NOKLQVIXSVMSJY-YADARESESA-N 475.637 5.949 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)cc(C(F)(F)F)c1 1821309083 VSOXWKDGENCSDF-OAQYLSRUSA-N 487.526 5.576 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)n[nH]1 1821759330 WKQKOPLLLMCBOK-JCTONOIOSA-N 484.044 5.127 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1821987520 BERPYJOOGOXGCW-MRXNPFEDSA-N 490.860 5.599 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1)C(F)(F)F 1821994575 XKMCOSVMIIKVOH-SFHVURJKSA-N 464.488 5.011 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccsc3)[nH]n2)c1 1823213452 XREDPBRBZRWQQJ-VGOFRKELSA-N 461.591 5.037 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2)n[nH]1 1823268829 CZQIGWRLJFEDTC-ISKFKSNPSA-N 462.594 5.273 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1 1823684623 AWKWFGZKHJRGRB-MHZLTWQESA-N 496.611 5.079 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@](C)(OC)c3cccc4ccccc34)CC2)C1 1823711473 DDNKETGQOBYYCI-FIBWVYCGSA-N 474.645 5.287 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1 1824537946 AWULKRFSTJCNOF-AOYPEHQESA-N 479.690 5.245 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824810788 SSSRGKGLHNDXEG-RUZDIDTESA-N 482.665 5.025 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC(F)(F)F)CC2)c1 1824875357 LKNWGFXJPOHGJD-XMSQKQJNSA-N 463.544 5.280 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1)NC(=O)OC(C)(C)C 1826263788 IPIDQSDKMRRTFW-RPWUZVMVSA-N 489.701 5.046 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)CC1 1827996525 BMLSPQNEQGCPAX-MUUNZHRXSA-N 492.623 5.439 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)c1 1828744961 NQNXWLDPMHTQQJ-DEOSSOPVSA-N 492.982 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 1828830228 RZTUSECSHCULHM-JWQCQUIFSA-N 450.623 5.013 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1 1829142855 ZUGGLUZRWFIPAS-VGSWGCGISA-N 486.538 5.208 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1 1829750451 YHIXLDYBMIVHJX-RBTNQOKQSA-N 495.627 5.251 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1830627820 ADIMRTRZGMEWIR-KWXIBIRDSA-N 490.047 5.443 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 1830631332 AOEUMNCKVILJOO-QHCPKHFHSA-N 467.972 5.092 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2F)CC1 1830685916 FHDNIWKKILQUGV-LJQANCHMSA-N 471.798 5.051 30 20 JKED Cc1ccccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)CC1 1830687332 UBLAXKNXXNGPLS-DEOSSOPVSA-N 494.433 5.176 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)sc2c1 1830717508 KVPJKVPOUWDAPK-QHCPKHFHSA-N 490.604 5.163 30 20 JKED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1830724737 VQABQAOYKXONLF-KBMIEXCESA-N 464.009 5.249 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c(F)c1 1830773253 KRLKUCVGBAOQKS-MHZLTWQESA-N 491.607 5.226 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1830778825 LXKPKOVRNSQGDD-SANMLTNESA-N 493.648 5.035 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830987927 ODWFMNGQYVTSSZ-QFIPXVFZSA-N 482.422 5.139 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1F 1832629124 JVWDHVDYWMMTJN-CJFMBICVSA-N 461.581 5.308 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC4(CCCN4C(=O)[C@@H](C)ON=C(C)C)C3)cc2)cc1 1845254622 BXBYIHHPWNSESV-JOCHJYFZSA-N 475.633 5.314 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(C)c2)cc1 10167363 UDORGDPBOSNFJG-UHFFFAOYSA-O 453.578 6.515 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)c1 10754410 WWYMDVJLIMQOPL-UHFFFAOYSA-O 478.794 5.888 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 11252019 BWUAYIXDEBVLBM-UHFFFAOYSA-O 497.587 5.777 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(CCc2ccccc2)Cc2ccc(C)s2)c1=S 14287573 QCITWPMDLZHLIC-UHFFFAOYSA-N 461.660 5.734 30 20 JKED CC(C)c1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c2cnn(C(C)C)c2n1 22571667 KEQUZEICIQVLPI-UHFFFAOYSA-N 477.619 5.403 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)c(Cl)c1 22732765 VKIPCASCZHXKAU-UHFFFAOYSA-O 486.007 6.452 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 23603245 FEIAOUIUUVIWHE-UHFFFAOYSA-O 489.492 7.180 30 20 JKED CC(C)c1ccc(CSc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)s2)cc1 26093283 PWPOSXIYAZBRIF-GOSISDBHSA-N 482.700 6.381 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 29814792 XTMILERUDNWZHM-UHFFFAOYSA-N 457.559 5.186 30 20 JKED N#C[C@H](C(=O)CSc1nccn1-c1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 43751192 DHSRTLCWUXFXPC-GOSISDBHSA-N 495.427 5.727 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nc2sccc2c1=O 105629809 HBIJNDCHRGWWOX-UHFFFAOYSA-N 450.467 5.005 30 20 JKED COc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCc1ccc(Cl)cc1 116111191 LQVFEPSNOBHCFZ-YRNVUSSQSA-N 463.917 5.780 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCC(c2ccccc2)c2ccccc2)c1 255949913 IFFPHRHGOAXRCM-UHFFFAOYSA-N 491.616 5.851 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1-c1cccnc1 302694650 FKQZIDVOEZRFQV-NRFANRHFSA-N 495.530 6.017 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)cc2)cc1 303325901 VIIBLGSVACXAIJ-UHFFFAOYSA-N 468.534 5.577 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)nc2C)n[nH]c1=S 303396910 ZFJSYEJKEMWZAE-UHFFFAOYSA-N 490.973 5.567 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 481976408 WGSOAENBXJHGFV-UHFFFAOYSA-N 465.428 5.235 30 20 JKED CCCOc1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 484969801 OAEOIXVCDYDLTL-UHFFFAOYSA-N 459.571 5.008 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OC3CCCCC3)CC2)cc1Cl 498008893 WMICEVGKZTZNHL-XMMPIXPASA-N 451.998 6.341 30 20 JKED O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1cccc(C#Cc2ccccc2)c1 499760452 DAZOQWFQURYEKQ-QHCPKHFHSA-N 492.362 5.237 30 20 JKED N#CCCN(Cc1cccnc1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 500074500 POUOUHUIDKUFCX-RCCKNPSSSA-N 483.553 5.473 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 506405847 IHPMFANBIRSRRA-UHFFFAOYSA-N 460.130 5.048 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2C(F)(F)F)cc1 507871922 HJUKOEQEMCYWQK-UHFFFAOYSA-N 462.431 6.116 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(OC)c(OC(F)F)c2)cc1 508278530 LGFZVPKTJRYDQT-UHFFFAOYSA-N 469.444 5.291 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H](c3cccs3)N3CCCC3)c2)cc1 509905620 QVWPXCGSLQMVSG-XMMPIXPASA-N 460.603 5.352 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cn1 513186110 BQTYFPKNGSVWIZ-MRXNPFEDSA-N 456.811 5.690 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3COCc3ccccc3)CC2)cc1 515267707 GTDXMBOROXHZOT-UHFFFAOYSA-N 454.574 5.015 30 20 JKED C=CCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1ccc(Br)cc1 515605805 RQUSGNDBQMZFGA-UHFFFAOYSA-N 497.462 5.812 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)CCc3nc(-c4cc(Br)cs4)no3)n2)cc1 516585758 QRUULERBXPZTDA-UHFFFAOYSA-N 486.376 5.127 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccncc1 516826629 GLLSTKZTLNODOK-GOSISDBHSA-N 488.642 5.333 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)C3CCC3)cc2Cl)c1 517940837 WCCBINHJBMELOM-RUZDIDTESA-N 473.960 5.387 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 519454291 ATPGDWOBKFMNMY-DEOSSOPVSA-N 457.961 5.191 30 20 JKED C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2)C1 519511716 YBLLEXNUFVNJKN-WXVAWEFUSA-N 460.622 5.393 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 520199145 UQBOVURJVHMOFM-KRWDZBQOSA-N 463.990 5.656 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cc1Cl 521432486 GPAXLBAZLXQDPF-HSZRJFAPSA-N 490.966 5.053 30 20 JKED COc1ccc2ccccc2c1CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CCCC1 524126108 ZPFKJDTWLVAMLH-UHFFFAOYSA-N 465.557 5.073 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)c2)cc1 589830757 SCPNJBNWUMQDJK-QHCPKHFHSA-N 488.996 6.540 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cn2)cc1 603690930 UXSAETZEGXZELV-UHFFFAOYSA-N 461.953 5.185 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cc2Cl)cc1 604026656 FNWDOIOLMAANAO-IBGZPJMESA-N 451.935 5.309 30 20 JKED CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 604163383 XOCHQGDJCAMNGG-UHFFFAOYSA-N 487.478 5.185 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(OCc4ccccc4)cc3)cc2)cc1 604464548 FGISOHFKLBKJNN-UHFFFAOYSA-N 477.520 5.184 30 20 JKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 608805522 KQQSLKBCEVKYHG-SFHVURJKSA-N 483.499 5.613 30 20 JKED Cc1nc(SCC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(C#N)c(C)c1C 608817742 ANSZMLLHWWEQMT-GOSISDBHSA-N 482.009 5.080 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 608841735 RNJZADQKVKSZAZ-UHFFFAOYSA-N 481.530 5.011 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC2)nc1 608992887 KQDNBRATQXTWAE-UHFFFAOYSA-N 492.377 5.299 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc(OC)c1OC 609006963 YZZIKOCZOWSOQT-QFIPXVFZSA-N 472.497 5.032 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2sc3cccc(Cl)c3c2Cl)cc(OC)c1OC 609008255 VQOGCDLMAUTCBO-GFCCVEGCSA-N 451.331 5.229 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccn(Cc4ccccc4)c3=O)cc2Cl)c1 609062154 AUSXYKHKCXUHDH-UHFFFAOYSA-N 469.928 5.253 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCc1ccc(Br)s1 609078455 RMSNOWZNCQWEDD-UHFFFAOYSA-N 470.392 5.634 30 20 JKED N#Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)ccc1F 609110354 DYXJNGJQODZWKS-UHFFFAOYSA-N 464.305 5.057 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cs2)cc1OC 609176975 YCJLKQFIUKRBIG-UHFFFAOYSA-N 471.538 5.672 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)c2)cc1 609208816 LJKGPJATNIWATE-UHFFFAOYSA-N 472.932 6.557 30 20 JKED Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378437 IJSGDMXVCAYDQH-UHFFFAOYSA-N 451.495 5.917 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1C 613425521 APBDQIGQMZSHGD-OAHLLOKOSA-N 477.417 5.778 30 20 JKED C=CCc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)cc(OC)c1OC 642239211 PVTIQXIOSFENQO-ROUUACIJSA-N 496.604 5.105 30 20 JKED CC(C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\CCc1ccccn1 726112728 XFUFBAYMXYXJME-SYYSWTDVSA-N 492.567 5.018 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726408913 JJNPUJDIWOIDFL-KRWDZBQOSA-N 494.976 5.507 30 20 JKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1cnc(-c2ccccc2)s1)C(=O)c1ccccc1 727263382 AOYPCPJFKZXDJA-CJLVFECKSA-N 468.534 5.486 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccc1Cl 728005125 IKXRKRTUHFBMOS-UHFFFAOYSA-N 498.004 5.073 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1OC 729435820 ZOLDKFRQOJKISF-RDTXWAMCSA-N 471.966 5.015 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1 729669227 RGWIKGSRBFVNTH-UHFFFAOYSA-O 465.595 5.319 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2c(Cl)ccc(C)c2Cl)cc1 729670723 WPDWIPXZYMYODI-UHFFFAOYSA-O 492.404 5.582 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCc3c(C)noc3C)C2=O)cc1 730442031 PCWPNYFBCIFXKW-HSZRJFAPSA-N 476.602 5.111 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)S/C2=N\[C@H](C)c2cccs2)c(C)s1 730730230 UGJNOIDEWOJZEP-CDHLWXTHSA-N 499.687 5.367 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 731060250 DJSCUQCDWCGUCH-AWZALFRUSA-N 480.586 6.004 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(Cl)cc2)cc1 731305297 BQDSGELKGPKKFD-JOCHJYFZSA-N 490.972 5.078 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(F)c2)cc1 731305918 QDHRFEYOBKZYQH-JOCHJYFZSA-N 481.524 5.139 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1F 731306808 BWUTTZDRMSECKO-QRQCRPRQSA-N 499.539 5.245 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1F 731307470 GJCRAIDRKUIZNQ-LJQANCHMSA-N 487.553 5.201 30 20 JKED C=CCc1cc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)cc(OC)c1O 747064438 WDBMEIICXWETNK-DHDCSXOGSA-N 456.976 6.305 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CSCc2cc(-c3cccs3)on2)cc1 747111662 MHUVSYKXIQZLCR-BEFAXECRSA-N 453.589 5.497 30 20 JKED CC(C)c1ccccc1N=C1SCCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 748161729 PQMGRTQTNMSWOA-UHFFFAOYSA-N 469.632 5.154 30 20 JKED O=C(Nc1ccc(C/N=C\c2cc(Br)cc(Br)c2O)cc1)c1ccncc1 749105855 ZBCUMNKIWITUCB-MSXFZWOLSA-N 489.167 5.184 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N([C@H](C)CCc2ccco2)C1=O 750908483 ANYYVKWONNRERA-WZONZLPQSA-N 461.587 5.036 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 837301141 PWKSKFPMEIIARY-BTYIYWSLSA-N 482.968 5.596 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)c(C)c1 837425071 GUIDXICDIAULGI-XMMPIXPASA-N 496.652 5.276 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)CCc2ccco2)C1=O 837739150 AXZXJPATDCAJLG-GAJHUEQPSA-N 495.576 5.409 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2OC)c1 838483654 AGECRTCEQUTQJP-QHCPKHFHSA-N 493.560 5.003 30 20 JKED N#Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 856433139 SMSDKZYERFRCNF-UHFFFAOYSA-N 494.016 5.107 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccccc2)cc1 914772804 OYXFYMBAEXNTLF-DEOSSOPVSA-N 489.597 5.002 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 915101825 LZENIGQZUJDKPY-NRFANRHFSA-N 477.973 6.066 30 20 JKED COc1cc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 915103547 XOZXJMSUFRHGOG-HNNXBMFYSA-N 477.369 5.562 30 20 JKED C=CCN(C(=O)c1ccc(CN2CCCCC2=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 915134220 IWLNEENVJMUSLZ-UHFFFAOYSA-N 476.558 5.064 30 20 JKED COc1cccc(NC(=O)/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)c2ccccc2)c1 916156198 MYEGTYWLQQJVEK-MOSHPQCFSA-N 453.441 5.210 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C[C@H]2CCCO2)c1 916207912 OTESOKGSFTUNDM-APWZRJJASA-N 492.428 5.441 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(C2CCCC2)C1=O 916210119 ATHLSFKSIVYTHV-JOCHJYFZSA-N 451.592 5.378 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 916213092 YLCXQLXNRAJAFQ-FQEVSTJZSA-N 493.551 5.401 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 916286050 XUZXKDQCYXKNLO-UHFFFAOYSA-N 477.468 5.818 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2c(s1)-c1ccccc1CC2 916882797 CZBHPWAMFPKYMS-GOSISDBHSA-N 454.523 5.790 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1cccc2ccccc12 916918817 SGXCHPNRBNIVSX-HXUWFJFHSA-N 494.601 5.951 30 20 JKED N#C[C@@H](C(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 916976118 KKORUFXFQQXQHR-HNNXBMFYSA-N 470.341 5.602 30 20 JKED CCOc1cc(C=Nn2c(C)nc3sccc3c2=O)cc(Br)c1OCc1ccccc1 917580119 QQOSTXNBZLICNH-UHFFFAOYSA-N 498.402 5.389 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2[N+](=O)[O-])c1 917669618 UEYHBJZUQPLBIF-JOCHJYFZSA-N 492.532 5.203 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)cc1 917683151 SUXZOTUPXPBALD-RJGXRXQPSA-N 497.064 5.236 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2c[nH]c3ccccc23)C1=O)NC1CC1 917700543 JGKIGCNHUUJMSB-VWLOTQADSA-N 482.609 5.164 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 917701411 SNMMQBPETSXFON-XMMPIXPASA-N 466.566 5.395 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 917798138 QMVTVZQWDBZFKA-RCZVLFRGSA-N 473.598 5.095 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)c(OC)c(F)c2)c1 917842826 WBNLCORKFOVPKH-UHFFFAOYSA-N 492.931 5.260 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccccc1OC 918265608 PPYKRHINLXSHSL-OAQYLSRUSA-N 463.921 5.219 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccn(-c2cccc(Cl)c2)n1 918486876 GSDYDZKJTFJEFR-FQEVSTJZSA-N 456.889 5.279 30 20 JKED C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2SCc2ccc(Br)cc2)c1 918646883 ZSEZGXHDBKQIGA-UHFFFAOYSA-N 479.399 5.091 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)c1 920355745 METFUZPUZCQTBU-JOCHJYFZSA-N 498.555 5.293 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc3sc(Nc4ccccc4C)nc3s2)n1 920669436 UQVBSIFQZOQMPA-CYBMUJFWSA-N 468.585 5.208 30 20 JKED Cc1ccc(C(=O)N[C@H](C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)C(C)C)cc1 920806776 POYDDICLEPNJBA-IERDGZPVSA-N 453.514 5.028 30 20 JKED CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 920892253 KFHMCAMEBIDCTF-GHTZIAJQSA-N 472.589 5.778 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 1126206215 MZHLWLZXQCXZPI-UHFFFAOYSA-N 456.424 5.053 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C4C[C@@H]5CC[C@H](C4)N5C(=O)OC(C)(C)C)CCC3)cc2)C1 1785807581 LHFNLIBRROBBAX-UEMOLPEBSA-N 493.648 5.265 30 20 JKED Cc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)CCc5cccc(C#N)c5)cc4)CCC3)cc2n1 1786040827 RSERYMUVWAEPPE-UHFFFAOYSA-N 478.552 5.388 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ncc(C)s3)cc2)CCC1 1787215849 BOGFYWIZXGYSBJ-HXUWFJFHSA-N 498.649 5.059 30 20 JKED Cc1ccn2ncc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@@H](C)C#N)c5)CCC4)cc3)c2c1 1788503319 HBESYNYJHJUAFO-FQEVSTJZSA-N 477.568 5.331 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccc4ncoc4c3)CCC2)cc1 1788650615 HAZKOFUCRIBFIA-ZHACJKMWSA-N 471.538 5.076 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)c(F)cc5[nH]4)cc3)CCC2)cc1 1789230524 ALSXUFDYRXHENN-UHFFFAOYSA-N 484.506 5.574 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)CCC1 1789232800 MMZTUPAYHYHDBR-ZHACJKMWSA-N 487.556 5.555 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)ccc1C 1790319293 PXIBFTFXCZHBHR-UHFFFAOYSA-N 453.542 5.131 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(Cl)cc3F)CCC2)cc1 1790513777 NWSNOWUAWGQHTR-UHFFFAOYSA-N 493.362 5.390 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3ccco3)CCC2)cc1)c1ccc(O)cc1 1791641996 PREQVPRRUKERHE-QFIPXVFZSA-N 470.569 5.249 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1792240193 NASVYJQOZYDROH-UHFFFAOYSA-N 492.535 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1802504242 XBDCESSUDRKIEA-NZQKXSOJSA-N 479.621 5.747 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1Cl 1802733228 WYVABPASDLYVKJ-YKSBVNFPSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@@H]1c1cccnc1 1804862071 WENOLHCZRVGIBL-RJRADHEHSA-N 498.627 5.173 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)C1 1806018965 CKKHZQTWTWDXFY-UHFFFAOYSA-N 487.084 5.366 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC4(CCCN(C(=O)[C@H](S)C(C)C)C4)CC3)ccc21 1806062694 DTAXDMBZBZCIFS-AREMUKBSSA-N 491.701 5.614 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1808488417 YVRVOLZQCSMMOH-HCYUJWNOSA-N 477.992 5.527 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4cccc(F)c4s3)[C@H]2c2cccnc2)c1 1809203669 FTYJNWTZSAQOOO-SQJMNOBHSA-N 498.583 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(s2)CCCC3)[C@@H]1c1cccnc1 1809770517 IOUGCZOMYOSQKR-RQTOMXEWSA-N 463.647 5.110 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1810175908 PLOZFCDBDXSLQF-CQOQZXRMSA-N 451.998 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@H]1c1cccnc1 1810492526 OUJFZTLNMHUFBX-AVRDEDQJSA-N 457.977 5.186 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c1Cl 1811850894 VVMZKPUTZYTURA-BVAGGSTKSA-N 484.987 5.117 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1Cl 1811897663 UJOYNDACFIIZTK-GBXCKJPGSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)[C@@H]1c1cccnc1 1812589723 CDEWRUGQRLUNCD-LUQKVYGDSA-N 495.929 5.165 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c(Cl)c1 1813757783 YYLHMXLFGLMCRH-LVXARBLLSA-N 484.987 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2)[C@H]1c1cccnc1 1813935885 IZSUQOVVSMRFRA-AOYPEHQESA-N 475.633 5.182 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)[nH]n1 1815119266 TXOZSCMFHVOENO-AUSIDOKSSA-N 490.007 5.070 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1815214950 KHTRNWPBJXIGGC-WMLDXEAASA-N 472.998 5.175 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817742424 NMPOTJOJPJOGDB-DEOSSOPVSA-N 469.589 5.280 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C(F)(F)F)coc2C)n[nH]1 1818290207 WLUUPBGPWYFWEW-QAPCUYQASA-N 464.488 5.404 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1819254122 MAIHQORMTFZMID-UWJYYQICSA-N 493.658 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)[nH]n1 1819304562 FHRRGLURLUKYCY-GJZUVCINSA-N 483.616 5.854 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)[nH]n1 1819552101 FCCCVVOGQFMXJP-HXUWFJFHSA-N 489.661 5.040 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)[nH]n1 1819556834 OBVVWWHJVQIYFA-OAQYLSRUSA-N 460.582 5.098 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CSc3ccccc3)[nH]n2)c1Cl 1820219717 VVOCGQBMURJZEQ-FQEVSTJZSA-N 479.993 5.033 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)cc3)[nH]n2)c1 1820484968 XLAVXWITMRHGLC-XMMPIXPASA-N 494.530 5.102 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1ccc(C(F)(F)F)c(F)c1 1821085714 QIKDDGGWLKVPQM-OAHLLOKOSA-N 480.384 5.216 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)[nH]n2)c(Cl)c1 1821277181 LWEKVKRCATZCPM-FQEVSTJZSA-N 499.905 5.156 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](C)c3cccs3)n[nH]2)cc1C#N 1822708438 JXTJODNDFDTJBQ-DYESRHJHSA-N 491.617 5.240 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccccc4Br)CC3)CC2)C1 1823701870 QGNGQPSPPJLCFN-HSZRJFAPSA-N 485.466 5.067 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 1824137713 MWRFOBNBBQXWRN-HHHXNRCGSA-N 461.650 5.109 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1824268260 FEVVTKYOFSPIPS-WUFINQPMSA-N 494.676 5.436 30 20 JKED O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824415249 YLBZNQUHZLSOMQ-OAQYLSRUSA-N 466.931 5.006 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1824512974 RCPDCRMAIQKMLB-FOIQADDNSA-N 487.855 5.471 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)CC2)c1 1824778677 IOZZIWGSZFEPGU-MNNSJKJDSA-N 494.639 5.338 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824829796 JAXTVKAKCFQRHG-HDJSHQJTSA-N 468.604 5.743 30 20 JKED O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1C1CCN(C(=O)C(F)(F)C(F)F)CC1 1824839175 GAJIKPFCWJMAPF-LKGOPFMKSA-N 494.451 5.239 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1824961014 CYWOOJVOMYHAFZ-FQEVSTJZSA-N 489.003 5.511 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@H](C)S)CC3)c2c1 1827299584 QDRSVVJYKLAYSO-PGRDOPGGSA-N 486.678 5.192 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)CC1 1828222112 UJPDTNAPQHHINJ-HHHXNRCGSA-N 475.633 5.245 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828466237 XSFVMAHCFQUTOP-GOSISDBHSA-N 494.451 5.420 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1828741247 INKRBEQWIOTBAL-RUZDIDTESA-N 489.019 5.169 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2ccc3c(F)cccc32)CC1 1828824464 LLCJIHJVKZJGJV-RCZVLFRGSA-N 465.613 5.169 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1828828462 KNWYEQZRDFQNFI-GGAORHGYSA-N 451.636 5.298 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 1829065892 GWTLYXRLKPVPNH-OAQYLSRUSA-N 465.560 5.326 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)nc2C)CC1)c1ccccc1 1829530896 ATDPKHJTNONHQW-IZLXSDGUSA-N 471.645 5.129 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829706661 UNDWUYKRKNMBHR-KOSHJBKYSA-N 454.611 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829756773 QRVIWROBFTXFIH-ZEQKJWHPSA-N 495.067 5.732 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3F)CC2)cc1C#N 1829880551 BRCVNDQBUNRODB-RUZDIDTESA-N 477.580 5.032 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(Cl)cncc4s3)CC2)c1 1829952065 CHYCOMLCNZIIRM-JOCHJYFZSA-N 493.032 5.368 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830542464 ZJKODQTYFFGYBG-NRFANRHFSA-N 468.947 5.396 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(O)c2)CC1 1830581056 RTZHYMHBHSRJGC-IFMALSPDSA-N 489.454 5.156 30 20 JKED Cc1nc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c2s1 1830629156 RNECPIABXDBWDX-VWLOTQADSA-N 486.641 5.218 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)c(OC)c(C)c2)CC1 1830676554 KGDQDSYUUZZYLN-RPBOFIJWSA-N 452.639 5.314 30 20 JKED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cc(F)ccc3OC)cc2Cl)CC1 1831324102 YAGHOLVYDHFJRE-XMMPIXPASA-N 482.983 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)CC2)c1 1831691491 ZRIZAQJXZRGPDE-JIPXPUAJSA-N 475.608 5.319 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)s2)CC1)c1ccc(O)cc1 1831922328 ZTWAXWJHOKNKQM-GMAHTHKFSA-N 482.621 5.023 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)CC1 1832564231 XOZAQBQUGCOFRG-AREMUKBSSA-N 494.752 5.296 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C(C)(F)F)CC2)c1 1832629408 PMTBRNVTTWXRGD-AVRDEDQJSA-N 459.581 5.228 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(C)C)no3)CC2)cc1C#N 1832703370 KAHHEERQCGYPAL-XMMPIXPASA-N 492.620 5.004 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832717553 OAEBBURMQFZGOX-KKSFZXQISA-N 486.962 5.183 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)CC1 1832720905 AUJFUCFAWRFXEC-OAQYLSRUSA-N 493.873 5.529 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)CC1 1833290883 RDIQYMGSJONDJK-UHFFFAOYSA-N 496.454 5.086 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)c1 1844757160 RNHOTWMDURVILX-HXUWFJFHSA-N 467.544 5.251 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2F)C1 1846883109 NXICFPJHDQGPPI-UHFFFAOYSA-N 492.366 5.133 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1ccc(OC(F)F)cc1 10172826 HYGLQHGJHUQUQN-UHFFFAOYSA-O 463.476 5.467 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)n(C2CCCC2)c1C 10841662 SZPGRNHAHPHCEO-UHFFFAOYSA-N 482.993 5.664 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)nc2sc(C)c(C)c2c1=O 11148581 VPKTVEVSHFRVMP-UHFFFAOYSA-N 479.627 5.175 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(OC)c2)cc1 11260836 SEVQRRBGFLUGCD-UHFFFAOYSA-O 469.577 6.215 30 20 JKED CC(C)n1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccc(Cl)cc1Cl 12348890 XEVYYOGNTNREBQ-CYBMUJFWSA-N 460.390 5.824 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2OC)c1 16030795 USTUMHMWRZUYIT-UHFFFAOYSA-N 491.396 5.636 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccc(OC)cc1 18771529 XMMWTKJJGGRUMZ-QGZVFWFLSA-N 478.618 5.488 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2-c2ccc(Cl)cc2)cc1 21397204 OMUDUJIILHGNMZ-UHFFFAOYSA-N 465.991 5.560 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 22123236 KTHJOYSPYBXZHO-PUAOIOHZSA-N 498.649 5.294 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc(Cc2ccccc2)cc1 22796722 CWVSVTUFTBQPHR-UHFFFAOYSA-O 480.451 5.432 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc(OC)c2)c1 23568457 KOWBXUCUAZJCDL-UHFFFAOYSA-N 485.005 5.002 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c1 26514542 NACSPOGKTJYYRJ-INIZCTEOSA-N 458.509 5.693 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 28642535 IAKJQQAKIKBGPE-UHFFFAOYSA-N 467.348 5.313 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32291801 XUUIEVCRRIQKCB-XMMPIXPASA-N 461.949 5.184 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 106190775 QERHFOOJDQNVSR-UHFFFAOYSA-N 489.670 6.105 30 20 JKED O=C(Nc1cccc(OC(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 107711588 HPMILEXIEJWZEE-UHFFFAOYSA-N 465.300 5.764 30 20 JKED Cc1ccc(Cn2cc(C(=O)Nc3nc(C)c(SCC#N)s3)c(-c3ccc(C)cc3)n2)cc1 107900405 FVKYIXOPHDPLFS-UHFFFAOYSA-N 473.627 5.848 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)CC1 195696506 LJUYSSGZOUKPST-UHFFFAOYSA-N 485.441 5.258 30 20 JKED CCN1CCN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c(C)c2)CC1 255947491 UMMHFWRZNTUXOE-UHFFFAOYSA-N 470.642 5.553 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 303013916 NIXHPCAFCNSWJW-OAHLLOKOSA-N 478.923 5.803 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 303045060 HXRWDSAHMWQCEM-UHFFFAOYSA-N 469.976 5.448 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 490437651 UUYFINCEDKHFJO-UHFFFAOYSA-N 486.535 5.920 30 20 JKED C=CCc1cc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc(OC)c1OC 497826514 STKDJIYUJWTNII-UHFFFAOYSA-N 463.509 5.145 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(Cn3ccnc3)c2)cc1Cl 500170834 NLKCLMSSIMCUKC-DEOSSOPVSA-N 455.949 5.562 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nc(-c2cccs2)no1 501577945 ACHAUBKAMOYCAZ-CYBMUJFWSA-N 459.984 5.661 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 506559048 BXWIRYZUPMDSKT-DEOSSOPVSA-N 455.558 5.164 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 510890131 NHDGYLFJVDTOQF-XMMPIXPASA-N 463.559 5.215 30 20 JKED COc1cc(OC)c2cc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[nH]c2c1OC 515577149 KSZXIHITBQHASY-UHFFFAOYSA-N 471.513 5.091 30 20 JKED COc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)s2)c1 517448408 DLKGZIZKTSMKCD-AWEZNQCLSA-N 471.633 5.273 30 20 JKED COc1ccc(C2(CNC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)CCCCC2)cc1 517936248 JMZZCJPVKATWQC-UHFFFAOYSA-N 488.588 5.050 30 20 JKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 518101909 WYODLYHEIZWSIL-MGPUTAFESA-N 467.903 5.432 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518237936 MFPZMNLZZRQVJJ-QHCPKHFHSA-N 479.989 5.494 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)c4cccs4)c3)n2)cc1 518516662 RDQJRCGHHLRJAF-IBGZPJMESA-N 454.536 5.486 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1nc(-c2c(F)cccc2F)cs1 518872871 FEPADJCVGQIYTR-KRWDZBQOSA-N 489.482 5.694 30 20 JKED CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 518873887 WWTMXCYZLALFLQ-MRXNPFEDSA-N 497.473 5.584 30 20 JKED CCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@@H](C)Cc1ccc(OC)cc1 520937214 SMPKPPZYKRLGPN-INIZCTEOSA-N 467.620 5.196 30 20 JKED Cc1c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)nnn1-c1ccc(OC(F)F)cc1 521282765 SWWHAJILJGSHJC-UHFFFAOYSA-N 457.506 5.022 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 524413745 SEDYLNQQQBVUDE-UHFFFAOYSA-N 491.954 6.118 30 20 JKED CC(=O)N1CCc2c(sc3nc4c(c(-c5ccc(C)cc5)c23)C[C@](C#N)(c2ccccc2)CC4)C1 542515706 WSQWJUYTZSBNNJ-SSEXGKCCSA-N 477.633 6.127 30 20 JKED N#C[C@H](NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(OCc2ccccc2)cc1 552450430 IUBUNELKGJRCLP-URXFXBBRSA-N 494.517 5.277 30 20 JKED CC(C)c1ccccc1-n1c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1cccnc1 589715534 WFLNASOENTVZTR-XMMPIXPASA-N 480.597 5.222 30 20 JKED CCOc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)o1 590643815 HZPDAXOZQURPIO-UHFFFAOYSA-N 473.558 5.145 30 20 JKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1nc2cc(C(F)(F)F)ccc2s1 591020042 DAXOAWLBAHABJQ-LLVKDONJSA-N 477.361 5.479 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1cccc(C)c1 598054441 NBTIGMPJRJSLTD-NRFANRHFSA-N 459.619 5.484 30 20 JKED C[C@@H](c1nnc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccccc1)N1CCCCC1 602216123 AAEFCIQQMCTQLD-SFHVURJKSA-N 495.052 5.460 30 20 JKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc2ccccc2n1C(F)F 603650122 OSRIOZGEEHYDCK-CYBMUJFWSA-N 452.490 5.233 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)cn2)c1 603809958 NWSOIHOAHOHNCH-UHFFFAOYSA-N 455.449 5.394 30 20 JKED C[C@@H](c1ccccc1)n1c(SCCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1 603917228 HHRLCTKGKSGRHW-IBGZPJMESA-N 453.571 5.547 30 20 JKED COc1cc(I)c(Cl)cc1C(=O)[C@H](C#N)c1nc2ccccc2s1 603937953 GHKUECHQKLVRBR-JTQLQIEISA-N 468.703 5.053 30 20 JKED Cc1c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)nnn1-c1cccc(Br)c1 603969748 BRAITIXAQWWQJL-UHFFFAOYSA-N 464.348 5.191 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003764 VJMBSCAQVDIZMH-UHFFFAOYSA-N 488.385 6.065 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](Cc3ccccc3Cl)c3ccccc3)cn2)c1 604488490 IAVQPYNJEULDDY-RUZDIDTESA-N 496.954 5.438 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 608991602 JMTFAJTZLXLHBN-SIBVEZHUSA-N 473.646 5.586 30 20 JKED Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609059021 ADHBMQMBFKTRKX-XMMPIXPASA-N 452.514 5.413 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2Cl)c1 609062164 BENOXHDJAWBKJV-UHFFFAOYSA-N 483.911 6.087 30 20 JKED N#CCn1c(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc2ccccc21 609164953 KXEBYQGXKSLEEF-UHFFFAOYSA-N 451.349 5.227 30 20 JKED C[C@H](NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)c1ccc(C#N)cc1 609371168 KPCAAMBSZFAYJY-JTQLQIEISA-N 469.801 5.240 30 20 JKED COc1cc(I)c(Cl)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 609378139 SLLAHVQFSLFKDS-LLVKDONJSA-N 486.762 5.457 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc(Cl)cc1Cl 609387172 RCPMPOYFSMSHOY-NSHDSACASA-N 462.324 6.457 30 20 JKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 613344947 YHGAZZNZNPBODJ-PJSAGSTRSA-N 470.381 6.201 30 20 JKED N#C[C@@H](C(=O)c1ccc(-c2ccc(Br)cc2)s1)c1nc2ccccc2n1C(F)F 613404667 UUDJTEYCVWIRNK-AWEZNQCLSA-N 472.314 6.412 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]2c2ccccc2)c1 613780435 UXCKMGAYHMJKTP-QHCPKHFHSA-N 466.990 5.309 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 622150827 BJOPUXQXUOKDGY-LMOYCYGVSA-N 474.392 5.874 30 20 JKED COc1cc(CCC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 624074312 UUFLPWIBRLRCML-STQMWFEESA-N 495.382 5.595 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 726074999 YSBLDKFZJFWNPK-LJAQVGFWSA-N 474.539 6.587 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](c2ccccc2)C(C)C)cn1 726116274 CDSCMXNHPIEPOM-VWNXMTODSA-N 475.618 5.261 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cscn2)c1 726406658 YGZGENOBPZZBBL-XMMPIXPASA-N 496.617 5.438 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C#N)c(Cl)c1 726408166 XQWRKTSBSBYOJV-IBGZPJMESA-N 476.936 5.106 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(C[C@H](C)c2c(Cl)cccc2Cl)C1=O 726414044 YRCWWPPHQLOXKS-SGTLLEGYSA-N 498.407 5.012 30 20 JKED Cc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)NCc2ccc([S@](=N)(=O)O)cc2)cc1 726571107 CREXOFJTANGMOY-UHFFFAOYSA-O 496.678 5.187 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2ccc3c(c2)CCCC3)c1 726573824 RNCLIHNVFITEGG-UHFFFAOYSA-O 452.024 5.872 30 20 JKED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 726980741 CSDJGWYXXGJGPA-KRWDZBQOSA-N 482.528 5.112 30 20 JKED COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 727954946 XACZJNKYMZOOPW-AWEZNQCLSA-N 462.314 5.453 30 20 JKED CC[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(Br)c1 727966413 YJEYQMRHOIGOSO-IBGZPJMESA-N 484.350 5.480 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)cc1 728698021 BGQTZVSSKDNVBJ-VQIMKDEXSA-N 451.910 5.818 30 20 JKED N#CCCN(C(=O)COC(=O)COc1ccc(C2SCCCS2)cc1)c1cccc(Cl)c1 728723812 UFHVPNYBKJXBAY-UHFFFAOYSA-N 491.034 5.078 30 20 JKED COC1(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 729319431 KKIKGTHEFPCVNG-NRFANRHFSA-N 483.996 5.350 30 20 JKED CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 729571536 YAWXAFOVKZNXJY-UHFFFAOYSA-N 450.539 5.119 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ncccc3C)C2=O)cc1 729634553 OAEFASXRQRJKEV-HSZRJFAPSA-N 476.577 5.306 30 20 JKED COc1cc(/C=C\C(=O)c2cc(C)cc(C)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 730437559 SDIWKCMDEIKHST-NTMALXAHSA-N 483.486 6.244 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(C(=O)O)s2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 730588969 DNINDYLDPKHHSI-QHHAFSJGSA-N 489.908 5.161 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730711259 CJEITIOUCANIAK-LJQANCHMSA-N 489.384 5.450 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N([C@@H](C)c2cccnc2)C1=O 730942085 CZTBFRUGGYMAGH-FDDCHVKYSA-N 474.586 5.120 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3cccnc3)C2=O)cc1 730943268 AYNWYMZDWBANCO-JTSKRJEESA-N 479.005 5.765 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 731059588 GBTMCUQIIBEMQP-LBPRGKRZSA-N 487.792 5.459 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 731077428 MPXSFOLKIHIHRC-HNNXBMFYSA-N 488.491 5.081 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(OCc2ccccc2C#N)c1 731339545 YAWXTACJKFYPOQ-AREMUKBSSA-N 482.609 5.131 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1cc(Cl)cc(Cl)c1 745990840 JQFVCNZCQJINSQ-IBGZPJMESA-N 494.400 5.157 30 20 JKED C=CCc1cc(CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc(OC)c1OC 747685182 RAUCNZQBQKJFLR-UHFFFAOYSA-N 474.388 5.222 30 20 JKED C=CCc1cc(CNC(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc(OC)c1OC 747972618 BUIQIVKFDNBHFJ-UHFFFAOYSA-N 475.593 5.129 30 20 JKED Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 749191858 LIYRFYGFLNJATK-OAQYLSRUSA-N 477.362 5.173 30 20 JKED Cn1ccnc1[C@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 759074946 BSVANCZQWXXOCO-SFFCAUCYSA-N 471.376 5.516 30 20 JKED CCOc1cc(/C=C(\C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)ccc1O 786195230 YERRIBZCCZQAJU-MTJSOVHGSA-N 476.916 5.038 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)nc(O)c2C#N)cc1 824935962 PWJGFTAARRMQRN-LLVKDONJSA-N 475.357 5.156 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccs2)c1 837344384 BPIGGNYHTDLTPM-FQEVSTJZSA-N 469.563 5.056 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 837771787 JUVHEIHJPCWKFQ-SPLOXXLWSA-N 484.503 5.220 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837776026 MQMLPXARCDPWQQ-UZUQRXQVSA-N 492.576 5.341 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839388077 JHTBRLKMTQRMRV-SANMLTNESA-N 450.542 5.354 30 20 JKED Cc1cc(S[C@@H](C)C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)n2c(nc3ccccc32)c1C#N 913257668 IDBYCUKHBLRNLF-CABCVRRESA-N 463.563 5.133 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccc(F)c2)C1=O)Nc1ccccc1F 914773023 VKKQACZZDIMWNO-NRFANRHFSA-N 469.488 5.264 30 20 JKED COc1ccc(-c2nn(CN(C)Cc3ccc(C#N)cc3)c(=S)n2CCc2ccccc2)cc1 914783286 QSYUMLZXVFQGEY-UHFFFAOYSA-N 469.614 5.294 30 20 JKED O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 914785959 IJZGEICLWWDYCM-YUMQZZPRSA-N 488.328 5.210 30 20 JKED O=C(/C=C\c1csc(-c2cccc(Br)c2)n1)c1ccc(N2CCOCC2)cc1 916138506 SVVNWVZECUTONY-TWGQIWQCSA-N 455.377 5.305 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 916217734 WCCWOPUCZPBSAL-QGZVFWFLSA-N 452.338 5.279 30 20 JKED N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916888587 YFBNEOIOGMDHNU-LLVKDONJSA-N 479.719 5.688 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1 916903185 PKYKBRZPTZRNBW-HNNXBMFYSA-N 479.360 5.315 30 20 JKED CSCc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)oc2ccccc12 916904904 KFYUXCHPLOJHIG-LJQANCHMSA-N 456.523 6.049 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(F)c(Cl)c4)cc3)o2)cc1 916940500 UOIVTQMXDYQPIW-LJQANCHMSA-N 474.879 5.466 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916942091 FUSGDGQHXDJBPD-HNNXBMFYSA-N 492.771 5.922 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3c(SCC(=O)O)nnc3-c3ccoc3C)s2)cc1 917032152 GVMSYFNGDZZIBG-UHFFFAOYSA-N 488.982 5.067 30 20 JKED Cc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc(C)c1OCc1ccccn1 917517406 FENBZGTWASOCQI-KPKJPENVSA-N 453.542 5.486 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917704733 XXYBXBPDKGASQT-VWLOTQADSA-N 498.608 5.255 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cnc(-c2ccccc2)nc1 917962693 PBJIPDNQSKSQLB-DEOSSOPVSA-N 484.556 5.611 30 20 JKED FC1(F)Oc2ccc(NC(=S)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2O1 920072896 WELLPEGWSNWFNM-HTQZYQBOSA-N 450.351 5.204 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc2cc(C(F)(F)F)ccc2s1 920112684 GRTDPRBMMBGRFF-STQMWFEESA-N 498.313 5.851 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccccc4Cl)n3)n2)cc1 920143544 XPAWMERMUWCMAT-SFHVURJKSA-N 460.971 5.878 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@@H]2CCc3c(Cl)cccc32)C1=O 920169892 IWWCGIHKOKYMAP-MSOLQXFVSA-N 496.004 5.410 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1c(C)noc1C 920351601 CFAGLYYIXONQSC-OAQYLSRUSA-N 480.565 5.208 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3c(C)noc3C)C2=O)cc1 920357699 ZKTOXGKCJDGSTP-QHCPKHFHSA-N 492.601 5.241 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 920677176 WCAPCHTUDRQSRN-JTQLQIEISA-N 478.020 5.060 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc(-c2c(F)cccc2F)cs1 920804558 VKXHSWZOCVMNJD-HNNXBMFYSA-N 455.486 5.770 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(C3SCCS3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 920849402 PNCLZYHEGQTGHJ-UHFFFAOYSA-N 465.560 5.103 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Cl)cc2C(F)(F)F)C1 1783062457 HASWANRTJMBSBK-MEKIYTOJSA-N 498.973 5.255 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CC[C@@H]4CCCN4C(=O)OC(C)(C)C)CCC3)cc2)C1 1785807930 VZVKUYNLKYZJSZ-QHCPKHFHSA-N 481.637 5.266 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)CCCCCCNC(=O)OC(C)(C)C)CCC3)cc2)C1 1785809101 OWJFCQVAWJPCLX-UHFFFAOYSA-N 483.653 5.562 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3S)cc2)CCC1 1785846566 UFHSRLQUCBZROR-UHFFFAOYSA-N 465.695 5.169 30 20 JKED Cc1nc2ccncc2cc1C(=O)NC1(c2ccc(NC(=O)C#Cc3ccc(Cl)cc3)cc2)CCC1 1786042171 CNWALARJMINMMK-UHFFFAOYSA-N 494.982 5.391 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)CCC2)cc1 1786104269 IMQIUCPCNRYMCW-UHFFFAOYSA-N 496.533 5.869 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)cc3)CCC2)C1 1786180936 AMILMKMUEJJLEB-FQEVSTJZSA-N 481.637 5.124 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(-c5nccs5)noc4c3)CCC2)cc1 1787887761 YVXQNFYSABVFGC-UHFFFAOYSA-N 471.542 5.003 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)n[nH]2)cc1 1788685145 UDKAGAZJWHWKKN-UHFFFAOYSA-N 491.551 5.018 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)ncc3F)cc2)CCC1 1788784184 JABBAVZQMSDFLF-SFHVURJKSA-N 486.385 5.499 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@H](C)C#N)c5)CCC4)cc3)c2n1 1790024903 IDBBSLHJKOUOIT-GOSISDBHSA-N 493.567 5.260 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)c1 1790082879 UDCYDEOPKODPJV-UHFFFAOYSA-N 484.943 5.153 30 20 JKED COc1cccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(F)c(C#N)c5)cc4)CCC3)c12 1790520808 HLZXSHFAOWKLDQ-UHFFFAOYSA-N 496.542 5.178 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cs3)CCC2)cc1 1790568266 PUGVMMBBUPFPCQ-AWEZNQCLSA-N 478.412 5.059 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)cc2)CCC1 1790773855 SBDUSADZXBHKQU-AWEZNQCLSA-N 480.367 5.681 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccn5nccc45)cc3)CCC2)c1 1790899511 LZNPLKPLAJRVGC-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2)CCC1 1791200323 SYPQFLKSGDWXSL-JNMQVBFRSA-N 478.589 5.072 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(Br)c3F)CCC2)cc1 1791584704 VUHMESRFMWLVJM-UHFFFAOYSA-N 457.343 5.139 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)c(F)cc3F)cc2)CCC1 1792179335 NDQRMBHIHZYITA-UHFFFAOYSA-N 476.321 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)C2 1798591927 RFFZYPASXVDEOZ-OUJCMCIWSA-N 497.680 5.517 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Br)cc3s1)C2 1801639201 VLOUJWBENHOMQB-NKGKWGDASA-N 461.425 5.128 30 20 JKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(OCc3nc(C(C)(C)C)cs3)c1)C2 1802304731 HHEFCXZPKIKELI-KOUNCHBCSA-N 493.673 5.075 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)[C@H]2c2cccnc2)C1 1802416050 MLMZRGXRIIUKKN-UWJYYQICSA-N 477.914 5.040 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803222537 PLHFADJFBYCRHM-KHIORFRISA-N 466.025 5.291 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3OCCc4ccccc43)C2)CC1)c1ccccc1 1805904882 DFCIAFJSXVNLRU-WDYNHAJCSA-N 498.667 5.119 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3cnccc23)[C@@H]1c1cccnc1 1810274086 ZUDQBVGXQTWDGR-RBJSKKJNSA-N 498.703 5.001 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC2CCCC2)[C@H]1c1cccnc1)c1ccccc1 1810447050 RMIHLDOZJCOLNO-YCVJPRETSA-N 471.645 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1810501839 DALAKTLYCSRELA-OPBMBUAESA-N 453.671 5.542 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1810504491 ZIPFPPFVTNMNEJ-WRALFONMSA-N 480.052 5.463 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1811287788 YAKZELNOWPOUND-HFZDXXHNSA-N 484.625 5.062 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1)C(F)(F)F 1811997872 KOJLBBBYFFQUQD-DNVCBOLYSA-N 486.321 5.135 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[C@@H]1c1cccnc1 1812592162 QHIBKIUHBMNPME-XAJLNHFYSA-N 493.611 5.157 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@@H]1c1cccnc1 1813229219 LCZVXGZMJGDRJP-RNWIMVQKSA-N 494.595 5.336 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1813229397 MPWSSFFZQLECAP-HXOBKFHXSA-N 476.379 5.041 30 20 JKED Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c1Cl 1813828019 YGLGJBNZJLXPRS-DVECYGJZSA-N 493.394 5.202 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)ccc2[nH]1 1813867107 BQDDMPGYKADBNE-MTICYMICSA-N 491.595 5.132 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@H]1c1cccnc1 1813960150 CUUFRYLEFCQZLX-ZEQKJWHPSA-N 488.632 5.052 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cc4ccccc4n3C)n[nH]2)c1 1814726395 NYPBCFTWMSJAPH-AFMDSPMNSA-N 494.599 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCN(c3ccccc3)CC2)n[nH]1 1814815287 VZBQBYQTLYAAHT-DEOSSOPVSA-N 477.653 5.311 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1815659534 SSRHZKVMKDCFGT-INIZCTEOSA-N 497.846 5.051 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815684292 LKLYGYLXYCYDOP-LJQANCHMSA-N 480.943 5.126 30 20 JKED O=C(CCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)[nH]n1 1817098023 AVQLUAMPBBRBPN-INIZCTEOSA-N 494.411 5.145 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)[nH]n1 1819309443 VLTOEGRMHIPLQO-WMZHIEFXSA-N 488.588 5.351 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2[C@H]3c4ccccc4S[C@H]32)n[nH]1 1819408764 BOJICXSFLQZKFF-TWHAJKEOSA-N 464.635 5.282 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cnc2Cl)n[nH]1)c1ccccc1 1819700302 WVZZISYBSYZJOJ-SIKLNZKXSA-N 493.970 5.100 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820220946 JZMJUVDWGXHZLR-FQEVSTJZSA-N 465.916 5.002 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1820973919 QYEBLFAQWLNEJB-VGSWGCGISA-N 487.560 5.416 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(Cl)ccc(Cl)c3O)n[nH]2)c1 1821266319 JAXXZCIZIUVRAL-IBGZPJMESA-N 498.370 5.222 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)cc(C(F)(F)F)c1 1821311394 XKNTWFCNSLNAKO-LCSKWRJPSA-N 499.537 5.576 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1 1821337391 SGZZXVIHHUEHTG-GOSISDBHSA-N 460.365 5.025 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)[nH]n1 1821927525 CEAFCZWQBFKGPF-SUMWQHHRSA-N 479.806 5.344 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c(C)n1 1822652322 PVDMZUQXCQAKNT-XMMPIXPASA-N 493.728 5.098 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1Cl 1823212668 KZKCXFOTKSGECM-HXOBKFHXSA-N 475.980 5.618 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cncc(C(F)(F)F)c3)[nH]n2)c1 1823217569 NEXCXQFTVFSHBV-VFNWGFHPSA-N 496.493 5.070 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823719022 CRXKGEJXSXUADL-QEQSFVKJSA-N 475.658 5.712 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1824036131 CMLSYJOZZDIWMO-TZQPNWGHSA-N 487.619 5.490 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCOc3ccc(Cl)cc3)CC2)C1 1824986030 CKWJEDZJSNIOKM-DEOSSOPVSA-N 459.030 5.085 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825424418 NNXJRPSIDRBLGM-MHZLTWQESA-N 459.634 5.417 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1 1827414085 QNRGTXOWEWGFAF-NRFANRHFSA-N 465.550 5.052 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cscc2C)CC1)c1ccc(O)cc1 1827809234 NPBVYFNDVUNCDD-ZEQKJWHPSA-N 478.658 5.193 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)c1 1827875470 IRQBHIMTQXOIRE-MHZLTWQESA-N 496.586 5.306 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)CC2)cc1C#N 1828319674 IWAITGWFUVUUSX-AREMUKBSSA-N 498.627 5.374 30 20 JKED CCC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CCC1 1828477942 GLVUZTGLBQBENG-QFIPXVFZSA-N 486.454 5.134 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828886440 NZUDYINWDHXLHE-DQEYMECFSA-N 498.067 5.003 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccco3)no2)CC1 1828905326 NUNHBJUQCZLRRN-QHCPKHFHSA-N 495.696 5.219 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(Cl)s2)CC1 1829401903 NEGLCGAPOPZHDH-LJQANCHMSA-N 480.150 5.081 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829825014 NIBRPUMZSGJHFH-DEOSSOPVSA-N 496.055 5.099 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1830016006 AEFDACPJKQPKRN-NRFANRHFSA-N 471.935 5.037 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830359167 OHTPVDWHJNBERW-PXJZQJOASA-N 489.635 5.299 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)ccc1O 1830755153 AEEJOMFGAXRGPI-QHCPKHFHSA-N 499.533 5.138 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1831371314 UFGFLZFQGFAPCI-AUSIDOKSSA-N 451.636 5.256 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1831445745 TWBZSPYOAZCGAH-FQEVSTJZSA-N 463.956 5.266 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1831562456 PJLLWUMUSPELHY-URORMMCBSA-N 463.666 5.183 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2Cl)CC1 1831851555 KFTZBNDHJBOKJK-JOCHJYFZSA-N 498.973 5.318 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 1831860191 SOGJTXBBDHYQTH-JOCHJYFZSA-N 473.455 5.067 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1832026431 PNOJZCBKEUJXPQ-HHHXNRCGSA-N 475.633 5.117 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3C(C)(C)C)CC2)c1 1832630041 FDPXYXASBAXYLA-LVXARBLLSA-N 486.660 5.553 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1 1832633062 BSFHWEYMPCSQFR-AVRWGWEMSA-N 481.999 5.653 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)c1 1832673759 YVXQDUBNOILMER-RUZDIDTESA-N 480.008 5.076 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCC2)CC1)NC(=O)OC(C)(C)C 1832755179 OTCYOQVTDRMKCH-DNQXCXABSA-N 489.701 5.046 30 20 JKED Cc1cc(C)c(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)CC2)c(C)c1 1838535626 DMJWYZPHIAAYIU-UHFFFAOYSA-N 494.035 5.063 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cccc(CCCCC)c3)CC2)CC1 1838616631 SVGKMZZENASZDG-HSZRJFAPSA-N 468.682 5.173 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CC2(CCCN2C(=O)c2cccc(C(F)(F)F)c2F)C1 1845347653 MNKBSUIFVLKDSX-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(F)c2)nnc1-c1ccc(Br)cc1 16832646 SZXHCINUYIIERZ-CYBMUJFWSA-N 461.360 5.152 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H]2c2cc(OC)ccc2OC)c1=S 16874076 KUXUDFHCYVUIDB-OAQYLSRUSA-N 454.571 5.218 30 20 JKED CCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nc2cc(Cl)ccc2c1=O 22062876 OMINOVKCLHWLGI-KRWDZBQOSA-N 469.010 5.196 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(CO)c2)s1 22690295 YMEFOEBHRIHRDK-UHFFFAOYSA-O 465.592 5.202 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22730302 RDSHQHRYNQCGHU-UHFFFAOYSA-O 497.587 5.904 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22735823 QILBWZVMTCBEHZ-UHFFFAOYSA-O 461.651 5.441 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 22735888 KZRIRTANFAJZIY-UHFFFAOYSA-O 457.663 5.747 30 20 JKED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 23325436 AHLQMEWLIYNVIZ-UHFFFAOYSA-N 486.572 5.292 30 20 JKED O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 24506680 PBTTWDKAABQYEQ-QHCPKHFHSA-N 484.905 5.388 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 25627119 PGOIAGSNYWQPCC-INIZCTEOSA-N 453.951 5.264 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)cc1C 28649249 FEKOVTQTEWWJFE-UHFFFAOYSA-O 489.661 6.019 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1coc(-c2ccc(Cl)cc2)n1 29841125 SCRKADODJXIMDM-UHFFFAOYSA-N 456.930 5.783 30 20 JKED CCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@H](C)c1ccc(C#N)cc1 105908229 HZMZLCLAGIQTKS-OAHLLOKOSA-N 464.919 5.452 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)s2)cc1 302935643 AABCEUIMZLBTPW-UHFFFAOYSA-N 471.007 5.042 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)s2)cc1 303175033 CALHPCJWDYTPAG-UHFFFAOYSA-N 467.963 5.192 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 303284808 LCMLEEBSICYHGK-LLVKDONJSA-N 485.944 5.384 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 481251081 KUDKKCOBTJWLMG-UHFFFAOYSA-N 469.516 5.362 30 20 JKED O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 497356551 BOMOIYMIZTWWRC-UHFFFAOYSA-N 499.745 6.417 30 20 JKED CCCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H](C)c1ccccc1Br 498367398 LHISEGJNTBYLOC-QGZVFWFLSA-N 477.424 5.140 30 20 JKED C=CCN(C(=O)Cc1nc(-c2ccco2)oc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 503258107 YEYKXLVWVPHNIQ-UHFFFAOYSA-N 450.476 5.036 30 20 JKED Cc1nc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)sc1SCC#N 504836403 DHOTUOVTOHABFD-UHFFFAOYSA-N 496.618 5.185 30 20 JKED CCOc1ccc(CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)Cc2cccc(C#N)c2)cc1 507389007 ALBNZKBEIZWWEE-UHFFFAOYSA-N 470.978 5.156 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 508287299 KIJOATGPGBXZIQ-DEOSSOPVSA-N 475.520 5.711 30 20 JKED C=CCOc1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)c1 510979624 DVYJIMNMVQPOGC-XMMPIXPASA-N 450.560 5.510 30 20 JKED N#C[C@H](C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2[nH]1 513661361 RTORBWSUEGJAPY-GOSISDBHSA-N 459.303 5.068 30 20 JKED COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC(C)C 514118126 FMGHFKHXDHZZJI-HXUWFJFHSA-N 475.564 5.966 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 514495391 PEZIJTLRPCSOCY-UHFFFAOYSA-N 469.629 5.442 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc(F)cc(Br)c2)cc1 516141477 ZGTPTUDIEXZIMA-UHFFFAOYSA-N 455.352 5.682 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)c3cnn(C(C)C)c3n2)c(C)o1 517303552 CGGAKTWJPGQJSR-UHFFFAOYSA-N 482.569 6.137 30 20 JKED CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 517529795 UYGPIAPVJBZPDS-NRFANRHFSA-N 457.574 5.825 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)cc2)c1 518229560 PYMCXAWYFCMVTI-UHFFFAOYSA-N 466.394 5.946 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1 518574943 LXNNMLJGNDCTJB-MHZLTWQESA-N 493.563 5.091 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)nnn1-c1ccc(OC(C)C)cc1 518757650 JCPFBHAFBMSNEY-KRWDZBQOSA-N 451.939 5.116 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H](C)c1cc2ccccc2o1 519091163 NLPJKIZFKCAWMC-GOSISDBHSA-N 453.498 5.645 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)c(C)c1[N+](=O)[O-] 520916718 CIZNNTJWJXIQLL-UHFFFAOYSA-N 467.485 5.373 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccccc1OC(F)F 523641185 RFEGCLHWJHKTMV-FQEVSTJZSA-N 495.482 5.167 30 20 JKED Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)c(C)o1 524172515 OLWDVXYRIVZWNA-UHFFFAOYSA-N 473.598 5.095 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1cccc(C)c1 552969685 VBNUNUIKRZBCEJ-SFHVURJKSA-N 465.648 5.646 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)cc2Cl)cc1 556185453 JPWNOHMIEXJEFU-UHFFFAOYSA-N 499.876 5.767 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)ccn2)cc1 603831079 JNDAKUPAMUQDMI-UHFFFAOYSA-N 481.512 5.653 30 20 JKED CN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCCc2ccccc21 604160736 SOXOAYCWKCKFMV-ILBGXUMGSA-N 457.961 5.470 30 20 JKED O=C(CSCc1ccc(Br)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604517478 YIPHMPIXQYZGSJ-GHMZBOCLSA-N 496.286 5.847 30 20 JKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609055458 GUPAGYNAENMXNV-UHFFFAOYSA-N 472.328 5.138 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2Cl)c1 609072771 FCVIYAWYBMNNAO-OAQYLSRUSA-N 488.975 5.673 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2F)c1 609103827 CNRSXDFTXZKVLK-UHFFFAOYSA-N 480.421 5.733 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 609191414 LYDFJWBKLHKVFG-UHFFFAOYSA-N 468.406 5.196 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)nc21 609371196 AOCULEIOXZTAJG-INIZCTEOSA-N 476.631 5.515 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 609377904 KMUDPWBFXOEDKN-IBGZPJMESA-N 481.687 5.979 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccc1OC 617994318 KAWUDVPOBQSXJG-QGZVFWFLSA-N 450.608 5.384 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccnc1SCc1ccc(F)cc1 643160313 KAUPZZGLKCAWIZ-KBPBESRZSA-N 480.449 6.152 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc3c(c2)COC3)[n+]2ccc3c(c2)CCCC3)cc1Cl 726570948 OILHZUDFYBWQTN-UHFFFAOYSA-O 489.020 5.731 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)cc2Cl)[n+]2ccc(C(C)(C)C)cc2)c1 726573656 OSULKUCHOQIGIQ-UHFFFAOYSA-O 482.456 6.883 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 727293710 WSMLFQQQDASTBT-UHFFFAOYSA-N 453.542 5.095 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 728766638 DUWWUHCLDITLEM-JOCHJYFZSA-N 480.524 5.415 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)NCCCCC#N)ccc1Cl 728852424 MMIYFCYDHSLIOQ-UHFFFAOYSA-N 499.942 5.164 30 20 JKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)[C@H]2c2cccs2)cc1 729417593 OUOZWWVKDDEDIM-NAKRPHOHSA-N 499.636 5.483 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 729566196 ZQMOZLGZCKEGCT-IBGZPJMESA-N 450.539 5.119 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(NC(C)=O)c1 729634677 QUENFMBXUXCGCE-DEOSSOPVSA-N 494.661 5.658 30 20 JKED COc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 730579281 GAVAZTJWFYCUFD-MKMNVTDBSA-N 472.497 5.205 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](C)c2ccc(C)s2)c1 730713881 BQCULQSKDDKZQF-PXNSSMCTSA-N 479.631 5.185 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1sccc1S(=O)(=O)C(F)F 730955172 FKIZAGVZQCNFFH-UHFFFAOYSA-N 453.332 5.034 30 20 JKED C#CCOc1cccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)c1 731040914 QDZRZWWKAHSRFR-JOCHJYFZSA-N 480.318 5.161 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731066475 ODIRDTLLKCWDAY-OAHLLOKOSA-N 473.620 5.231 30 20 JKED CC(C)Cc1nc(C#N)c(NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)o1 745613631 KYAOOGWAOKEURE-UHFFFAOYSA-N 478.512 5.150 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)c1 747601305 UWNSNBFHRIAYMA-FQEVSTJZSA-N 482.606 5.102 30 20 JKED CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 748481594 FFGJETWTSLHFNK-YJBOKZPZSA-N 464.418 5.720 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 751142680 QDSQOOZTLHENKF-UHFFFAOYSA-N 462.418 5.045 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cc(C)ccc1C 799215200 RJUJRGSEKZODDR-SFHVURJKSA-N 460.397 5.046 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1nc2ccccc2n1C(F)F 812416113 WILWSDPOOODPJA-UHFFFAOYSA-N 454.502 5.409 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cccs3)C2=O)cc1 837301160 HFELPYBMMBWOHX-JOCHJYFZSA-N 477.611 5.420 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccs2)c1 837395469 VBMNAXMYPKFLKP-FQEVSTJZSA-N 471.554 5.495 30 20 JKED Cc1ccc(/C=C/C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c(Br)c1 843433309 XKEWMZXWKSSTDE-MDZDMXLPSA-N 451.320 5.065 30 20 JKED N#C[C@]1(c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)C[C@H]2CC[C@H]1C2 904668704 CJGDMNHNSCKXRI-QENPMARHSA-N 460.843 6.177 30 20 JKED C=CCn1c(SCC(=O)Oc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1Cl 912283147 LQGKHMCSLWLGIN-UHFFFAOYSA-N 450.347 5.144 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 915020683 OUOFOLZYVIYGBK-JOCHJYFZSA-N 483.568 5.356 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)cc1 915087044 PLQILNWRRRFLMU-OAQYLSRUSA-N 459.962 5.181 30 20 JKED N#C[C@@H](C(=O)CCc1nc(-c2ccsc2)no1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102719 FSBHJKPIBSABQN-XHBUVVKHSA-N 464.616 5.531 30 20 JKED COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Br 915349980 DKYNYTKEHOBWSD-IIBYNOLFSA-N 464.363 5.996 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccccc2Cl)ccc1OCCn1c([N+](=O)[O-])cnc1C 916135286 OYBAIYVEJXQWRM-NTMALXAHSA-N 455.898 5.127 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 916204424 FMVLBBXLZZYMAD-QHCPKHFHSA-N 461.587 5.227 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916845666 BIJSXTRJNHVAGQ-RTWAWAEBSA-N 496.592 5.013 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)CC1=O 916845924 WMWNDOCKOVZRAT-FRQCXROJSA-N 488.613 5.019 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc2)c(C)c1Cl 916906129 CCGCKADNNGFLSK-QFIPXVFZSA-N 484.943 5.896 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C 916921738 AHLDNKITRZQRIQ-KRWDZBQOSA-N 469.950 5.044 30 20 JKED CC(C)CCSc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 916941024 YNRURKQKZUDWBJ-HNNXBMFYSA-N 463.918 5.487 30 20 JKED COc1cccc(/C=C2/CC3(C/C(=C\c4cccc(OC)c4)C2=O)C(=O)Nc2ccccc23)c1 917518257 XJNFDCPFDJEZQK-VOKWCDJLSA-N 451.522 5.424 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/CCOc3cc(Br)ccc3C2=O)cs1 917560603 SPNSIHOMCNPLKH-UVTDQMKNSA-N 487.350 5.778 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccccc2)c1 917672448 GJCQHJBMRYGJJB-XMMPIXPASA-N 489.597 5.002 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 918486282 FPNJEGXCDIAJJF-CQSZACIVSA-N 459.354 6.082 30 20 JKED CCCCCCn1nc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c2ccccc2c1=O 918628036 VJGHMLXZLSLKIC-UHFFFAOYSA-N 470.495 5.053 30 20 JKED C=CCn1c(SCC(=O)OCc2cc(F)ccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl 918799371 UVTIIEHKCZNUOG-UHFFFAOYSA-N 497.335 5.321 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N 920844968 KWAFSSBPLYJNCX-UHFFFAOYSA-N 492.457 6.082 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc3ccc(Cl)cc3c1)C2 1779512343 ZFXYGFNZHWGXLS-YIXXDRMTSA-N 484.040 5.008 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)CCC2)cc1 1786374467 ZEKNBLPDKKSLOR-LJQANCHMSA-N 493.604 5.372 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C(C)(F)F)CCC2)cc1 1786545316 YTPINEZISXZKJL-IBGZPJMESA-N 493.595 5.271 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccoc5s4)cc3)CCC2)cc1 1788415462 DLJSYDBCGKOGGQ-UHFFFAOYSA-N 455.539 5.622 30 20 JKED Cc1snc2sc(C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)cc12 1788417184 MPGFQZCSAATVIM-DHRITJCHSA-N 478.599 5.126 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4Cl)cc3)CCC2)c1 1788480016 GSHIFOQSYOMHSI-KRWDZBQOSA-N 497.986 5.856 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982528 ROAKIAAJFQSZSG-CCVNUDIWSA-N 474.948 5.281 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccc(F)cc4)CCC3)cc2)c1 1790072732 IDCXWIOHWNGZRN-IZZNHLLZSA-N 483.543 5.257 30 20 JKED CCCOc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)ON=C(C)C)cc3)CCC2)cc1 1790565721 AQJMADPXTISRGT-LJQANCHMSA-N 451.567 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790710800 NXECDKATMMDNII-UHFFFAOYSA-N 457.574 6.082 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCCC4(F)F)CCC3)cc2)c1 1790763930 ONKMPWVTHPIKMQ-XMMPIXPASA-N 473.470 5.363 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cn5c(Cl)cccc5n4)CCC3)cc2)c1 1790796008 NLMGACGKRGFGBG-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CC[C@@]3(F)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791588272 CFSCKMRSJNEEPK-SANMLTNESA-N 487.616 5.216 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C4CC4)CCC3)cc2)c1 1792122896 UQGPJZSSPQHCMH-QGZVFWFLSA-N 470.598 5.709 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)nc2ccccn12 1792123599 LLRCOQLCPBMHSN-LJQANCHMSA-N 477.568 5.331 30 20 JKED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1793616499 RLWXZCPOXKXLRG-HUUMMWPTSA-N 472.601 5.091 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)cc(C)nc3c1)C2 1798334553 BYNAMOOIOSCBBO-WOZUAGRISA-N 451.998 5.217 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c(Cl)c1 1802712503 VDIBNOXWQCGVCN-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1803081776 HWPHTEKCDNVXDG-BVAGGSTKSA-N 466.025 5.142 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1803081849 IQFAYKPVUQSXRE-LITSAYRRSA-N 494.639 5.540 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CC[C@H](CNC(=O)[C@@H](S)C(C)C)[C@@H]2c2cccnc2)cc1 1803604213 QIIBHJVKDOUIAX-NPAAKHOSSA-N 487.669 5.331 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@@](C)(OC)c3cccc4ccccc34)C2)CC1 1804801535 UIVLGKNKNBYDNC-QCDSWUKFSA-N 488.672 5.701 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)C1 1805457182 WWVBFIQYEBQGNZ-BJKOFHAPSA-N 455.042 5.443 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)C1 1805458717 UFFLFUNATLPEIE-JOCHJYFZSA-N 455.042 5.369 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)Cc3cccc(CCCCC)c3)[C@@H]2c2cccnc2)C1 1807468223 RZYBUJQQCCCYIU-LSYYVWMOSA-N 459.634 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(OC)cc3)CCC2)[C@@H]1c1cccnc1 1808238434 SPSZHEJZYGMVEU-BVAGGSTKSA-N 489.660 5.210 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[C@@H]1c1cccnc1 1809153641 QXQSVYKHFSGDHM-BWKNWUBXSA-N 458.606 5.183 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3cc(C)[nH]c23)[C@H]1c1cccnc1 1809267787 KBKICFFKUYUIQA-WIOPSUGQSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CSc2ccc(C)cc2)[C@@H]1c1cccnc1 1809476175 YXXRXVGLMZEPHH-RDGATRHJSA-N 465.663 5.181 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCc4c[nH]c5ccccc45)C3)CC2)c1 1810121437 FBHQKQHVPABGLZ-QFIPXVFZSA-N 482.628 5.273 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@H]1c1cccnc1 1810175203 XMBOSERIMFHEQE-FENANZCXSA-N 498.627 5.059 30 20 JKED Cc1cccc(C)c1C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810271548 HQAOULOZMUVYSE-SQHAQQRYSA-N 475.709 5.069 30 20 JKED Cc1scc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1C 1810275304 UAEAQOHQKSZLKA-WIOPSUGQSA-N 481.738 5.131 30 20 JKED C[C@H](C(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1cccs1 1810276779 JJPAHTIVHTXGPT-HOKHCIIBSA-N 481.738 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)COc2c(C)cc(C)cc2C)[C@@H]1c1cccnc1 1810491598 FEFUNOQMWNEALM-AZGAKELHSA-N 477.649 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810503267 SAYCOYDMDPECCB-SIKLNZKXSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(F)c(F)c3)CC2)[C@@H]1c1cccnc1 1810504575 GFSWJQKEDOSLQN-HYBUGGRVSA-N 481.587 5.090 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1811412269 IPOOBWZPDFWUAR-QFQXNSOFSA-N 461.650 5.572 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@@H]2c2cccnc2)CC1 1812783243 BKDBECUHEJSIKO-JZRJJGTOSA-N 486.660 5.198 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1814302502 CSCOXDNQGZXWFT-HOFKKMOUSA-N 491.582 5.393 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814413312 PWYOHJAVEWSPCW-GLHYLFFDSA-N 479.993 5.406 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)[nH]n1 1814570269 UWEQBHBLRGRAII-IBGZPJMESA-N 494.393 5.181 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cc(F)ccc3Cl)n[nH]2)c1 1815577063 OUGBXOWSWSRYLM-MWTRTKDXSA-N 493.970 5.378 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1 1817588841 AXQGKDICYIZIDG-QHCPKHFHSA-N 461.610 5.508 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)[nH]n1 1819310236 UQDLAJXZOZINFL-TZIWHRDSSA-N 489.542 5.217 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(C(C)(C)C)cn2)[nH]n1)c1ccccc1 1819519547 VGWCQTSOMSGEKI-XUZZJYLKSA-N 498.631 5.000 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820086935 GTXKPVRXGOSGNL-HSZRJFAPSA-N 498.587 5.620 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N3CCCC3)c(F)c2)n[nH]1 1820194205 RPAKJZWTISAWSW-GBXCKJPGSA-N 479.600 5.223 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)c2ccccc2n3CC)n[nH]1 1820225973 UMNDANGYLYNAON-AREMUKBSSA-N 481.600 5.647 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c(Cl)c1 1821278151 NJNFOZINTASMJJ-BDTMADQZSA-N 499.958 5.700 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1)C(F)(F)F 1821569990 WPQGPTULVLXPQC-GOSISDBHSA-N 477.874 5.036 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)s1 1821692962 OWAHPOGFEDGFRA-HXUWFJFHSA-N 494.596 5.229 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc3ccc(Br)cc23)[nH]n1 1821925766 ZGSYKZTVFGOGJB-VFNWGFHPSA-N 496.409 5.239 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H]3CCc4ccccc43)n[nH]2)c1 1822525421 FULYROPDUAKVIL-DPQOWFAMSA-N 467.573 5.073 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)ccc(F)c1F 1823200250 HJDAOJBOBMRRIO-QRQCRPRQSA-N 477.515 5.243 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1F 1823212277 HTZRWDHSQXDPIU-VGOFRKELSA-N 459.525 5.104 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)[nH]n2)c1 1823216238 REKYLTWDOIWXKQ-ZQJMJJNQSA-N 467.573 5.146 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccoc34)[nH]n2)c1 1823216352 HNOCLOHAVOHGNQ-HXOBKFHXSA-N 467.529 5.403 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)n[nH]2)CCC1 1823309966 VWUQNZNGJUAGRI-QGZVFWFLSA-N 479.890 5.082 30 20 JKED N#CCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccccc3Oc3cccc4ccccc34)sc2C1 1823827475 ZPAKEPWTWACNDQ-LJQANCHMSA-N 496.592 5.618 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)COC2CCCCC2)CC1 1824017531 IJIZODRAEJKVQM-VWLOTQADSA-N 474.762 5.007 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c(C)c2C(=O)OCC)CC1 1824295601 SPYNJZHPYIXYLI-DEOSSOPVSA-N 499.696 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(OC)cc2Cl)CC1 1825000127 KDCPYPXSEVFINQ-DEOSSOPVSA-N 475.073 5.503 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)CC2 1825254276 MMKDIEPYROCYNQ-ZDUSSCGKSA-N 498.477 5.080 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828167054 CMPKZKOSXRDVAS-LJQANCHMSA-N 477.095 5.707 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@@H]43)CC2)c1 1828938144 RQLIEIPUZPNDPC-OMWFFTDKSA-N 499.680 5.435 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)c2ccccc12 1828999397 LUYUBDHDJMGABM-PUFQGMHOSA-N 499.655 5.413 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccccn2)CC1)c1ccccc1 1829035028 JGTYLEBHTFTDCI-RXWNPYQGSA-N 471.645 5.002 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3F)CC2)cc1C#N 1830084459 KVYDPRVZAKBQJH-DEOSSOPVSA-N 495.570 5.171 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1 1830521693 DVHZACIHYTYRJM-AFMDSPMNSA-N 477.580 5.008 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830535908 VVQBZMAVZWALBK-IERDGZPVSA-N 454.508 5.290 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1830663173 AEDBAGCKNIEBJK-HSZRJFAPSA-N 477.020 5.305 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1 1830770725 HYHFOLLDGOACSB-HHHXNRCGSA-N 455.602 5.291 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3[nH]c4ccc(Br)cc4c3C)CC2)C1 1831059591 INTHDPRYZJHUGC-QHCPKHFHSA-N 498.465 5.438 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 1831374831 UPQYSOOIYIROEU-SCDRESIJSA-N 491.717 5.148 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1831441746 DKSCVGFPBLEWOR-LSYYVWMOSA-N 498.614 5.533 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831751480 IIYVHRRLEDFLAV-HJOGWXRNSA-N 462.675 5.139 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832627226 ADEOTPBDWNDLDZ-CJAUYULYSA-N 481.999 5.653 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)c1 1832632168 LPJQZGGBFPKRML-UWJYYQICSA-N 453.970 5.107 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)CC1 1838375851 USQYFENBBORWGY-OAQYLSRUSA-N 496.545 5.225 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCC(OC3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)CC2)cc1 1838390684 YDCPTNODNUUUAC-DEOSSOPVSA-N 496.768 5.148 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845546967 UNKUFSYUXFJPRO-NRFANRHFSA-N 485.584 5.250 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CCc2cc(Cl)ccc2Cl)C3)c1 1846829877 CPVAYWBBIQVMGN-QGZVFWFLSA-N 470.400 5.070 30 20 JKED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)c1 1847471937 DULHZXDSNVMMTH-YCVJPRETSA-N 499.561 5.204 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)c(C)c1 10168743 SKMPSKXKXRTXHR-UHFFFAOYSA-O 451.562 5.799 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 10170577 KZHVXFFOJJGWNY-UHFFFAOYSA-O 454.619 5.571 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2ccccc2CC)cc1 10173791 KGTMVSYQBNGIHE-UHFFFAOYSA-O 481.641 6.653 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(C(C)(C)C)cc2)c1 10826965 WVWCUPCGQVPOCM-UHFFFAOYSA-O 452.043 6.593 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c(C)c1)=C(/S)Nc1ccc(Cl)c(Cl)c1 11158741 ORYWNOHXOYQLMK-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)cc2F)cc1 11249730 DQWACYQBFIGNFM-UHFFFAOYSA-O 465.589 6.089 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2F)c1 15544229 SOWANEVNCUYRCW-UHFFFAOYSA-N 458.942 5.421 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)n(Cc2ccco2)c1C 20056411 XKMSKPGBNNCXFL-UHFFFAOYSA-N 498.568 5.189 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 26732725 KPVCGYVQQJLYCA-GOSISDBHSA-N 455.470 5.227 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccco1 28504433 PZOFUGLYSYOCIE-QGZVFWFLSA-N 462.575 5.025 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(C)c2C)cc1 28793442 LYIRBOZJONYPCN-UHFFFAOYSA-O 490.693 6.693 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 32786768 KKVHLRAFMIJDGC-UHFFFAOYSA-N 468.582 5.282 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(NCc3ccc(F)cc3)s2)sc2c1CCCC2 69505022 MDQPINJLORRCQT-UHFFFAOYSA-N 473.624 5.222 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccccc1C 78665776 GWAHCUMDPNUAHL-QGZVFWFLSA-N 451.621 5.399 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1 255930264 CELWPZLICMQMCL-CQSZACIVSA-N 463.390 5.469 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCC3(c4ccccc4)CCOCC3)cc2Cl)c1 303227482 WQQIBJWKRHMWBZ-UHFFFAOYSA-N 475.976 5.661 30 20 JKED COc1ccccc1C(C)(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 478176612 YRDOTDNTOMPQEP-UHFFFAOYSA-N 459.493 5.549 30 20 JKED COc1ccc(CN2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)cc1 481596681 LUADQNUZXGPAJB-UHFFFAOYSA-N 488.563 5.025 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)c2)cc1 483023309 JWUYPGAVSGVRAG-UHFFFAOYSA-N 453.329 5.015 30 20 JKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 498809479 YRGYNRUFORUEQT-UHFFFAOYSA-N 462.594 5.024 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 504054427 JVPKBXWKXNKYFO-UHFFFAOYSA-N 492.001 5.175 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)cc1 509687537 JGVPSQIUZZBTMP-UHFFFAOYSA-N 488.594 5.421 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 512959029 RYSZCMAHEZNLED-KRWDZBQOSA-N 460.433 5.621 30 20 JKED CCOc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nc[nH]n4)c3C#N)C(C)(C)C2)cc1 513215291 WHXZSXMMMSTBOM-WAYWQWQTSA-N 491.642 5.645 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nc(CN3CCCCC3)cs2)cc1 513950371 PYBXNVXZUJJBTQ-UHFFFAOYSA-N 463.582 5.374 30 20 JKED C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)nnc1-c1ccc(Cl)cc1 514220324 VZXQJZKTRYDZHW-UHFFFAOYSA-N 457.943 5.040 30 20 JKED COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)cc1 514501698 XJTDOHVETGUEJJ-UHFFFAOYSA-N 477.520 5.650 30 20 JKED CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 514547611 YSGZTLDEAJSUHA-RUZDIDTESA-N 455.558 5.369 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)nnc1[C@@H]1COc2ccccc2O1 514936058 PZIHTXMIGHHTDV-YWZLYKJASA-N 479.537 5.327 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 516204411 UPDPKILQNBDBJJ-INIZCTEOSA-N 459.600 5.920 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1NC(=O)c1ccccc1 516269885 BWOPOOXTEBOCCU-JOCHJYFZSA-N 462.534 5.733 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(Br)cc4)c3C)n2)cc1 516713776 JBDCDGCOLPNQNQ-LJQANCHMSA-N 493.386 5.565 30 20 JKED C[C@](Cc1nc2ccccc2s1)(C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 517457948 RKJVZQIUEKIRRK-HHHXNRCGSA-N 455.583 6.118 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 517465985 HCDJSJDZNLWRMH-QGZVFWFLSA-N 463.534 5.125 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 518756015 VKHPTBDGEZWJCR-QRQCRPRQSA-N 469.010 5.714 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 518870049 PMRUXHBQGGKISE-OAHLLOKOSA-N 497.523 6.340 30 20 JKED N#C[C@H](C(=O)c1cc(Br)c2c(c1)OCO2)c1nc(-c2c(F)cccc2F)cs1 518873572 CFNBUYGDJWOHBU-SNVBAGLBSA-N 463.259 5.070 30 20 JKED CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519029258 BTEYUQAGTWOBIG-AREMUKBSSA-N 466.541 5.154 30 20 JKED N#C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc(OCc2ccccc2)cc1 519129413 WRPYROWKSQVUKR-VWLOTQADSA-N 456.473 5.571 30 20 JKED Cc1cc(COc2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2Br)on1 519485070 BRARKNZTBKMJIR-QGZVFWFLSA-N 495.160 5.626 30 20 JKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1OC 521416583 BAWCTURXXHHQJT-SANMLTNESA-N 471.601 5.788 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)n1 521636584 IJKJUUSBMOVEGC-JTQLQIEISA-N 452.344 5.240 30 20 JKED N#C[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1cccc(Cl)c1Cl 521769720 TVCDSCKOGGFXRY-CQSZACIVSA-N 458.292 5.936 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1Cl 522748296 MGCIXQFNKIPPHW-LJQANCHMSA-N 499.855 5.986 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 523133334 XDUVDMWUXAKVLX-UHFFFAOYSA-N 474.555 5.213 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 523521080 AYCGCYPDYSLJLS-UHFFFAOYSA-N 471.454 5.550 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 523917673 XPOUHOMQVBEATQ-QGZVFWFLSA-N 461.031 5.117 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 524287093 VJKFKESRUVWZIB-UHFFFAOYSA-N 454.452 5.004 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)nnc1-c1ccc(Cl)cc1 603622807 ZGXXHSFOMJHGQX-UHFFFAOYSA-N 490.976 5.408 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc2)cc1 603831123 SGLMHFHOMDOVBU-GDLZYMKVSA-N 477.564 6.251 30 20 JKED CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(O)n1 604027246 QEZDSLNUIQDZPY-UHFFFAOYSA-N 454.939 5.101 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604085435 HQEUPGQFPSWQDS-UHFFFAOYSA-N 468.384 6.692 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 604165357 VSCRVHDBYMLURQ-UHFFFAOYSA-N 481.552 5.237 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)cn2)c1 604213984 ZLPWRNTTWSDDRH-OAQYLSRUSA-N 481.339 5.355 30 20 JKED COc1cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c([N+](=O)[O-])cc1OCc1cscn1 604351459 GZQNKRLKJRDRRZ-UHFFFAOYSA-N 491.550 5.353 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3sc(-c4ccccc4)cc3C#N)c12 604448121 OIRJZJDCQARFED-UHFFFAOYSA-N 476.565 5.854 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1C 604450549 RNEGTWJTHDRKBB-UHFFFAOYSA-N 462.513 5.392 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609073723 UUCNYDYPRYTROY-HRFSGMKKSA-N 467.569 5.075 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1cccc(Br)c1 609079084 IGGPBVITRQGEJB-VWLOTQADSA-N 490.401 6.577 30 20 JKED CC(C)(C)c1csc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 609256078 MQRHDRGILOHFDL-UHFFFAOYSA-N 468.966 5.013 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3Sc3ccccc3)cn2)c1 609342612 UKVDLJCENFBCCM-UHFFFAOYSA-N 480.549 5.152 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3 609388262 ZUFQDYTVKJYUKP-ZDUSSCGKSA-N 470.645 5.152 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 609415326 URQVKUJGOKYIBT-HXUWFJFHSA-N 466.379 5.715 30 20 JKED C[C@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 609432442 OPRRDTLYTADONW-AWEZNQCLSA-N 470.407 5.717 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)Cc2ccccc2C)nnc1-c1ccc(Br)cc1 613937597 CATZBNZWRWVRKH-QGZVFWFLSA-N 485.451 5.042 30 20 JKED O=C(NCCCSc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 616204632 RJHIURLZENIRKL-UHFFFAOYSA-N 468.394 5.100 30 20 JKED Cc1c(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)nnn1-c1ccc(OC(F)F)cc1 622571971 RIGUBCZKJBXPID-UHFFFAOYSA-N 478.324 5.050 30 20 JKED O=C(Nc1ccc(OCC(F)(F)F)nc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642665972 QKBNATBOQMRVQH-JZYVYDRUSA-N 453.305 5.054 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726319951 QMSJUKFOCWHCCV-HNNXBMFYSA-N 497.470 6.105 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1C[C@@H]1CCCO1)c1cccs1 726416932 VHCNRXAJZQQXGX-ATWYFFBJSA-N 496.029 5.109 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccco1)c1cccs1 726421536 QYXLZEOOBYBRTN-NPDXCZOBSA-N 457.552 5.070 30 20 JKED CC(C)N(C[C@H](O)COc1cccc2ccccc12)C(=S)Nc1ccc(C#N)c(Cl)c1 726452589 XFOGJHGHBAZCRL-FQEVSTJZSA-N 453.995 5.212 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 726572732 LRLZWWAXJUPEJO-UHFFFAOYSA-O 483.563 6.148 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)cc1OC 728012154 YAGLLXDAPDNMEG-POHAHGRESA-N 490.522 5.546 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3ccccn3)C2=O)cc1 728425130 KPTBZNNFYKRXBL-VWLOTQADSA-N 491.576 5.267 30 20 JKED Cc1cc2nc(-c3ccccc3)cc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)c2cc1C 728515785 HOTMJMOUIQTHIP-UHFFFAOYSA-N 477.568 5.218 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)OCc3nnc(-c4c(Cl)cccc4Cl)o3)c2)cc1 728669196 MMADWWIBLWAFIL-UHFFFAOYSA-N 466.280 6.064 30 20 JKED CCn1c(/C(Cl)=C\c2ccc(O[C@@H](C)C#N)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 728698783 OPMBMYOPXHTXSW-LUJYGJGBSA-N 499.036 5.259 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1nc(-c2c(F)cccc2F)cs1 728768390 DQDUUUWKTXWANU-ZDUSSCGKSA-N 499.593 5.712 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1F 728779053 XAJNPEGOXYGTBP-IBGZPJMESA-N 476.936 5.272 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1CCCCC#N 728779106 HFKBLBVTXJHCJH-NRFANRHFSA-N 485.009 5.311 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)c(F)c1 729818743 GDOSGTXYUFDVTB-QFIPXVFZSA-N 494.498 5.136 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 729889349 NXQVQCSLULANNU-VWLOTQADSA-N 453.542 5.267 30 20 JKED N#C[C@H](C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 730690301 SDDAGQJRAPWXJR-ZHRRBRCNSA-N 453.395 5.706 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\[C@@H](C)c1cccs1 730730019 RYLSDIBIGVLVLR-ZCMXZZOPSA-N 493.658 5.325 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)cc1 730962377 QBEFCPOBEYYNSE-HSZRJFAPSA-N 497.414 5.297 30 20 JKED CC(C)c1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1ccc(Cl)cc1 731072115 ZXDDMPGWZUBWRH-KRWDZBQOSA-N 497.020 5.696 30 20 JKED COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(F)c2)cc1 731079249 RYGIAIXIAAXARK-KRWDZBQOSA-N 478.545 5.691 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C 731288024 NGNTXROMWBXRKL-NRFANRHFSA-N 499.958 5.174 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 743525354 PTNHCXXXCFPRGY-DVECYGJZSA-N 490.604 5.867 30 20 JKED COc1c(Br)cc(Br)cc1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 745626414 ONACIGUZKNBQJT-WAYWQWQTSA-N 481.140 5.073 30 20 JKED CC(=O)CCc1ccc(OCCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 747022379 YBUNVIBDPVGZGH-GOSISDBHSA-N 460.477 5.482 30 20 JKED COc1cc(/C=C/c2nc3ccccc3c(-c3ccccc3)c2CC(=O)O)ccc1OCC#N 747099683 PKZXUZILHKSXFI-ACCUITESSA-N 450.494 5.610 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cscn3)C2=O)cc1 747599178 GUYPGWPGSLAAFM-LJQANCHMSA-N 471.007 5.265 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)(C)C)cc2)ccc1OCC(F)(F)F 750921656 HOOTYEHIURQGHK-UHFFFAOYSA-N 494.539 5.275 30 20 JKED N#CCCn1cc(C(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)c2ccccc21 767802271 NVLIYRGADZMFIE-UHFFFAOYSA-N 465.720 5.320 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC(F)(F)F)cc1 799221615 YKQCKGMWTLHABS-QGZVFWFLSA-N 485.915 5.180 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)cc1 837546459 HHRAWMMNUUXVDR-WZONZLPQSA-N 474.586 5.202 30 20 JKED C=CCN1C(=S)N[C@@H](c2ccc3ncccc3c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839787431 MWYTURZQQHSCAP-QFIPXVFZSA-N 482.531 5.584 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)Cc2ccco2)c1 914690604 AGXHYRINGXVQDD-IVZQSRNASA-N 499.539 5.158 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)n1 914963229 BCOUACQOYXDWSG-LLVKDONJSA-N 458.870 5.372 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c1 916204327 CDZAETRICJSWAW-QHCPKHFHSA-N 494.567 5.180 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(Cl)c1 916211958 IESMVHUGQCTYOC-KRWDZBQOSA-N 478.799 5.249 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)cs1 916272932 NTULLSGTIKLUDO-UHFFFAOYSA-N 477.615 5.059 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnc3sc(C)c(C)c3c2=O)c(C)c1 916310867 OAOWHLJPDSOADC-UHFFFAOYSA-N 453.571 5.427 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 916564450 XVSYTOVCMNJYGE-XFFZJAGNSA-N 472.994 5.822 30 20 JKED O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 916698642 XYIYMOUDLPWISR-GHMZBOCLSA-N 459.381 5.596 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1 916949512 ORZSWOSWRVDVBK-SQOVJYTMSA-N 481.552 5.103 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975886 GFURSJWRNBGJHB-IBGZPJMESA-N 468.962 5.710 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc(-c2ccccc2)cs1 917026347 FNEVTUWEMIWVRP-UPVQGACJSA-N 450.519 5.754 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 917119736 VEJBDFZZASWYHR-AREMUKBSSA-N 459.553 5.726 30 20 JKED C=CCn1c(=S)sc2c(=O)n(Cc3csc(N(C(C)=O)c4ccc(Cl)cc4)n3)cnc21 917565369 OLZHPHKVTZNZOO-UHFFFAOYSA-N 490.035 5.018 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1csc(COc2ccc(Cl)cc2)n1 918710065 FECQAUGNICJCKW-UHFFFAOYSA-N 496.832 6.112 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2c(-c3ccccc3Cl)noc2C)c1C 918871326 VBASDRSOZPFUJR-UHFFFAOYSA-N 451.910 5.024 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OCC(=O)N(CCC#N)c1cccc(C)c1C 919167536 RQIFMXZANPCXRL-UHFFFAOYSA-N 493.560 5.168 30 20 JKED CC(C)[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccccc1Cl 919514045 CISRGJZDRPXPNO-JOCHJYFZSA-N 452.894 5.204 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cs1 919637773 SCIOEMODUMWKNA-XMMPIXPASA-N 477.586 5.463 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 920018133 TZJOSDAGEKJKFO-UHFFFAOYSA-N 465.619 5.530 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)n2)cc1 920108904 CDBBAWGVXKKRSA-DLBZAZTESA-N 470.381 5.655 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 920354538 DNOCJIQVPTWHEY-XMMPIXPASA-N 484.581 5.605 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(OC(F)(F)F)cc2)cs1 920371750 MVCGMYVQNXHRGP-UHFFFAOYSA-N 488.413 6.191 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 920871419 SLWHIZLAHFDMDT-GAJHUEQPSA-N 479.577 5.222 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1781741145 KXPXAWFMCFKTNW-IUBQTAPSSA-N 497.463 5.120 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)c(F)c1 1785797281 CHRPKWZRFOOYHA-UHFFFAOYSA-N 471.532 5.086 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4c(F)ccnc4Cl)CCC3)cc2)c1 1786036242 UQPQYLMXDNXSQP-UHFFFAOYSA-N 476.939 5.126 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4cccc(Br)c34)cc2)CCC1 1786195291 XDYIPPMTCDHSOL-UHFFFAOYSA-N 466.379 5.183 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CCC2)cc1 1786367483 QWTVEXZDLOMLCU-UHFFFAOYSA-N 497.595 6.158 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)c1 1786622757 IOFNSUVELPJCPG-UHFFFAOYSA-N 459.468 5.047 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)CCC2)cc1 1786679523 QAMODMPFNSBZAD-UHFFFAOYSA-N 479.646 5.401 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)c(Cl)c3)CCC2)cc1 1788030415 GLLPOFLOKNETDA-UHFFFAOYSA-N 491.394 5.162 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)cc2)CCC1 1788501347 CYXHWVNQHOBPPQ-KRWDZBQOSA-N 480.996 5.678 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789198892 HJGQNDYJLSGKHM-HXUWFJFHSA-N 469.626 5.124 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)c(C#N)c1 1789328135 QUODPJHBMLDYOY-UHFFFAOYSA-N 490.563 5.105 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1789448627 FCMJHGRIUGJOGJ-ZEQRLZLVSA-N 495.664 5.679 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CC(=O)Nc3ccc(F)cc3)CCC2)cc1 1789456456 UOTZXZLOSUXWLQ-HSZRJFAPSA-N 463.553 5.057 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)(C)C)oc3C)CCC2)cc1 1789494997 SXSJRTMGZQJVSQ-OAQYLSRUSA-N 452.595 5.206 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)CCNc3ccc(C)cc3C)cc2)CCC1)C(F)(F)F 1789565964 BQDAUQLSAQLGKQ-UHFFFAOYSA-N 459.512 5.358 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Nc3cccnc3)CCC2)cc1)c1ccccc1 1789601963 GGTSZGLAFAEFKJ-AMGIVPHBSA-N 480.612 5.213 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5occc5n4-c4ccccc4)cc3)CCC2)CC1 1789993922 DSTQZHSAUNJGFL-UHFFFAOYSA-N 464.525 5.275 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)c1 1790072574 CQRUGDGBMQVKKS-UHFFFAOYSA-N 459.468 5.047 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3F)cc2)CCC1 1790325472 ZQPXPKMJYVWDRG-NRFANRHFSA-N 499.558 5.182 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(C)c3)CCC2)cc1 1790509337 YKJKIZSXOYMUNW-UHFFFAOYSA-N 497.595 5.314 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ccsc5[nH]4)cc3)CCC2)cc1 1790877480 XPHHBIGBCAEREX-UHFFFAOYSA-N 454.555 5.357 30 20 JKED CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C#N)CCC2)cc1)C1CCCCC1 1791504221 VOYWGTOVJXQHJB-QFIPXVFZSA-N 496.652 5.144 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccnn3C(C)C)CCC2)cc1)c1ccc(O)cc1 1791646571 ZMZVWEQTMRDPHU-JOCHJYFZSA-N 484.600 5.115 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)o1 1796964172 FXFLPCMTDJTZOF-LRSLUSHPSA-N 452.982 5.620 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Cl)c(Cl)c3)CC1)C2 1798337067 CTJFJUTUTGQEHP-IYWMVGAKSA-N 461.433 5.432 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1Br)C2 1798339325 QNPRKYOSBUMPIX-YYIAUSFCSA-N 465.819 5.123 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C3)c1Cl 1799305078 CLZLJZBCLAZWST-MUJYYYPQSA-N 462.764 5.084 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800740707 YZQRYHUTHHPVIU-KQLYMOGASA-N 487.547 5.010 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CC)cc1)C2 1801639887 WIRVABWVOVOMQI-HYOIWIKGSA-N 497.680 5.055 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)[C@@H]1c1cccnc1 1802498621 CIQROSXCTGFCHE-OYUWMTPXSA-N 490.692 5.163 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1807478187 VZHQHKXQQHNXKL-POURPWNDSA-N 473.661 5.256 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1809104728 FISUTJBMYRSDMQ-YZUZCNPQSA-N 474.630 5.088 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c(C(C)C)nn4ccccc34)C2)CC1 1810449373 UZCIGHMBABGEHU-QFIPXVFZSA-N 462.638 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(OC)cc3)CCC2)[C@@H]1c1cccnc1 1810505101 MQIJXFYRXQXZHQ-JYFHCDHNSA-N 489.660 5.210 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810948963 ZBOWIEFLNBXNCS-TXTKFYIRSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(F)c2Cl)[C@H]1c1cccnc1 1811111892 HDEFWIDWQSEOIG-PGRDOPGGSA-N 457.977 5.186 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)Cc2ccccc2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811252783 XOOKJMHRYBSCOA-XDFJSJKPSA-N 499.614 5.044 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)[C@H]2c2cccnc2)c1 1811793516 RYIZPJZIVASVHO-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1812508011 QBJCOPIZWPWMTR-XUZZJYLKSA-N 487.566 5.341 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCCCCCCCCCC(=O)OC)[C@H]1c1cccnc1 1812592071 JXUUIPYCWQKEPX-CKOJHNACSA-N 499.696 5.374 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)cc1 1813954348 CDBTVPDMAKCNSH-VMPREFPWSA-N 486.575 5.254 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)[nH]n1 1814440126 KYAILHCXWLKZHQ-NYYVNYEXSA-N 452.521 5.127 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)[nH]n1 1814441570 BCRPVXPJURDVOK-HSZRJFAPSA-N 490.608 5.107 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn3ccc(Cl)cc3n2)[nH]n1 1814443111 MNRPWWZLPUSHTP-LJQANCHMSA-N 468.989 5.009 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1814828385 JLDLADNRWLIBHK-NRFANRHFSA-N 451.958 5.009 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)cc2F)[nH]n1 1814828557 PCZUOKULIPNXDK-QHCPKHFHSA-N 468.573 5.410 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](F)c3ccccc3)n[nH]2)cc1C#N 1815559312 WTNQHJJZXAZHJU-WIOPSUGQSA-N 489.551 5.085 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818810819 JQXYCSMMLQRFBE-NSFRLNINSA-N 458.562 5.630 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cc3ccccc3o2)n[nH]1 1818810820 JQXYCSMMLQRFBE-WOOPDLCSSA-N 458.562 5.630 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc3c2CCCC3)n[nH]1)c1cccs1 1819045575 AALMECDGEKQCRZ-GNISGLHKSA-N 494.642 5.157 30 20 JKED N#CCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cc5cc(F)ccc5s4)sc3C2)cc1 1819099371 RTEQBSQCZQCRON-SFHVURJKSA-N 490.585 5.103 30 20 JKED CCCCCc1ncc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)s1 1821692692 LGLKUJVKZUCCSI-HXUWFJFHSA-N 476.606 5.090 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1822397229 KUUXVVIWYIWQCR-RUZDIDTESA-N 456.590 5.300 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)nc3)[nH]n2)c1 1823210622 DZOXNFYKDMQPCX-FOIQADDNSA-N 496.493 5.070 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)cc1C#N 1823292578 PIYFPSUTTZXRCM-RBZOQEBVSA-N 489.620 5.511 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cnccc2C(F)(F)F)CC1 1823750988 HCVAMGQHTMYRPG-QHCPKHFHSA-N 493.614 5.645 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)c3ccccc3o2)CC1 1823991688 MRHNMIKNOQFIFC-QFIPXVFZSA-N 464.606 5.019 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824139738 QICNPZJUAKOZNP-XOYNAWAESA-N 452.561 5.107 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 1824497903 IKDZOVMGPKVDAI-AHKZPQOWSA-N 454.655 5.029 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1)c1ccccc1 1826668938 BVUICMCQVBLDFE-GOTSBHOMSA-N 462.556 5.146 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2N)CC1)c1ccccc1 1826956765 KUVXYRMCNBMMKV-MLEVXUHISA-N 483.656 5.099 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1827379797 KCLVPDWFBHSXEN-RUZDIDTESA-N 456.590 5.039 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827519150 CYMOSTOWHQKHGQ-XMSQKQJNSA-N 487.044 5.164 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)[nH]c2c(Cl)cccc12 1827520685 XFMIYBCBWSFDDW-DRQPSCMVSA-N 495.023 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccnc2C(C)(C)C)CC3)c1 1827693470 QLWWVSSFPVVKRZ-APWZRJJASA-N 487.629 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1827729130 RJGORLVNPKASSR-AREMUKBSSA-N 492.664 5.311 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827773478 RUVZVRPLMWKZAT-CTNGQTDRSA-N 451.533 5.035 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)cc1 1828415370 OSLAOZZLHPVLMW-BVAGGSTKSA-N 489.582 5.028 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2-c2ccccc2)CC1 1828823731 ATBBUBMAZQPVNN-JWQCQUIFSA-N 475.633 5.652 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3cc(C)c(C)cc3[nH]2)CC1 1828827597 YFZOEVGRJRBRSU-WIOPSUGQSA-N 462.638 5.181 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3scnc3c2)CC1 1828828463 KNWYEQZRDFQNFI-GMAHTHKFSA-N 451.636 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1 1828828504 LCRFKHATMANMGS-BDYUSTAISA-N 471.645 5.750 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccnc2Cl)CC1)c1ccccc1 1829030564 RLBTVIZPFXJWLH-IZZNHLLZSA-N 492.063 5.094 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1829035314 PCOYBAHKIMNVTO-WDYNHAJCSA-N 481.640 5.183 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ncsc3[nH]2)CC1)c1ccccc1 1829131794 XBXSPESZOIPSKX-WIOPSUGQSA-N 488.657 5.055 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829903204 AMGZRICADNQPIU-GOSISDBHSA-N 459.364 5.438 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1830160415 MCALMEWQIRSLKY-LBNVMWSVSA-N 498.614 5.533 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)Cc4ccc(F)c(C#N)c4)CC3)cc2s1 1830361466 RPLSGNRSBGAREO-DEOSSOPVSA-N 492.620 5.025 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CCC1 1831306616 YMGHDSORXHSUBQ-HSZRJFAPSA-N 468.041 5.075 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2Br)CC1 1831853057 JEOJKMBIXXJPGF-HXUWFJFHSA-N 479.846 5.139 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)CC1 1831860008 HVPANRZMSYZCFZ-QHCPKHFHSA-N 483.653 5.460 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1832029515 FQVCDSBNSZLKOP-HHHXNRCGSA-N 457.618 5.176 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C(C)(F)F)CC2)c1 1832629410 PMTBRNVTTWXRGD-PGRDOPGGSA-N 459.581 5.228 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1832630162 GKZALHUPDLIDJO-ZBLYBZFDSA-N 499.655 5.574 30 20 JKED C[C@H](CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1)c1ccccc1 1838686025 RMCJCYAKRPEYMF-HXUWFJFHSA-N 494.035 5.018 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CC2(CCCN2C(=O)C2CCC(C(F)(F)F)CC2)C1 1841799704 VOYZBGYHSNBSHR-UHFFFAOYSA-N 480.424 5.030 30 20 JKED C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2c(Br)cccc2-c2ccccc2)C1 1844725019 ZIRDGIWFJYKRAT-SFHVURJKSA-N 467.407 5.145 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C3)c1 1846829941 HIRCZJUXLNTDKP-OAHLLOKOSA-N 475.898 5.117 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC2(CCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)C1 1846985928 RXDHCAZQDQXLCQ-CTYIDZIISA-N 480.424 5.030 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1cc(Cl)cc(Cl)c1 10178997 JVYSRXXPYRTEBP-UHFFFAOYSA-O 464.825 6.548 30 20 JKED C[C@@](C#N)(NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)C1CC1 11149246 VXKCRMBGAZPJJZ-QFIPXVFZSA-N 472.401 5.142 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1C 11162179 LHLKGOXAWUVSFM-UHFFFAOYSA-O 453.578 6.218 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccccc2CC)cc1 11250944 CRQHZHSOAVMHIM-UHFFFAOYSA-O 467.998 5.418 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)cc1 11264602 RXXSFJDOQFHRBE-UHFFFAOYSA-O 471.690 6.935 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3C2)nc2cc(-c3ccccc3)sc2c1=O 14281237 QERGAGLZLSHNOI-UHFFFAOYSA-N 479.652 5.050 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15247999 KNDCNSOOMWYQPN-UHFFFAOYSA-O 498.908 7.344 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nc2sc3c(c2c1=O)CC[C@H](C)C3 15848652 FMQGZXAIVTZUDS-STQMWFEESA-N 475.586 5.166 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccc(OC)cc1 16562537 HPGHQECPYDZMHC-XMMPIXPASA-N 486.597 5.620 30 20 JKED CC(C)Cn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1F 21582986 MCENAVYRYDIVBP-CQSZACIVSA-N 469.611 5.281 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccc(F)cc1 21996214 CJYYLNFGPZWURZ-UHFFFAOYSA-N 458.562 5.592 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1 22415406 FONLPCUUENMQJX-NRFANRHFSA-N 458.612 6.017 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2OC)[n+]2ccc3c(c2)CCCC3)cc1 22686076 UXIOQUAQDJQDDF-UHFFFAOYSA-O 461.607 5.311 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(CC)cc2)cc1 22727448 NWAHGHHUJOXSEC-UHFFFAOYSA-O 469.533 5.042 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nnc1-c1ccc(F)cc1 24967865 DUIFAGCAIJUKCQ-UHFFFAOYSA-N 493.633 6.320 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2ccccc2C#N)cc1Cl 33683807 LNDMUZDNSJCRAJ-NDENLUEZSA-N 465.987 5.959 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nc2sccc2c1=O 36812053 RPXFTAZNYDKBCR-VXGBXAGGSA-N 468.431 5.309 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 72000951 YHJNTSDXFPRNBJ-URGPHPNLSA-N 486.597 5.071 30 20 JKED Cc1cc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)n(CCC#N)n1 109346553 RABFGFSHERYBEF-UHFFFAOYSA-N 473.389 5.432 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 169306881 HJKGROWCHWZNNX-UTLPMFLDSA-N 458.510 5.513 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)c2)c1 195612936 XZMLROXPJCFBGV-VWLOTQADSA-N 454.530 5.024 30 20 JKED N#CCCCOc1cccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)c1 207596029 RNXYUBWGPPICLL-CPNJWEJPSA-N 456.930 5.027 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2)C2CC2)nnc1-c1ccc(Br)cc1 302938889 HGZNOCHDHMSPBL-UHFFFAOYSA-N 483.435 5.177 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 485781342 AXRZLTDMWPTRKC-UHFFFAOYSA-N 477.542 5.479 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 495485468 WEAXMPNBKYJHJR-UHFFFAOYSA-N 476.573 5.256 30 20 JKED C=CCc1cc(CNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc(OC)c1OC 497735734 OSJJJPDFLGBFCJ-UHFFFAOYSA-N 460.534 5.398 30 20 JKED C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 501605149 SJAZBWYODMGHOD-SFHVURJKSA-N 453.011 5.328 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 503225393 KKFDJPQOMUJHEE-DEOSSOPVSA-N 471.626 5.645 30 20 JKED CCCN(CCC)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 503549643 GCFZJHLOOFLJPC-NRFANRHFSA-N 466.006 6.216 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 506530409 BNJLHKLBOBQMPL-UHFFFAOYSA-N 466.585 5.524 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 507057017 YWIZVUXGHBTQRM-XMMPIXPASA-N 499.958 5.040 30 20 JKED CCCC(=O)Nc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511423186 XAPGXTSLYMGZGI-UHFFFAOYSA-N 456.546 5.392 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511457621 BQOPMTJTTRJUHX-INIZCTEOSA-N 455.543 5.645 30 20 JKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1nc(-c2c(F)cccc2F)cs1 511748853 VKFOIWGDCCSNSR-NSHDSACASA-N 471.382 5.253 30 20 JKED COc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 512652419 NKLQJILUBBYYIK-UHFFFAOYSA-N 479.989 5.223 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 514450781 XBFUXPMNEZOXQT-UHFFFAOYSA-N 494.414 5.236 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 515356494 UMYTYJMNXLTURG-UHFFFAOYSA-N 499.514 5.160 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 517890951 SJKHBYHEQJINRD-UHFFFAOYSA-N 480.528 5.516 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 518139920 FECJMZOPLOVNAV-INIZCTEOSA-N 469.563 5.131 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1nnc(-c2ccsc2)o1 518147550 DYUJFIDIBPAAQK-UHFFFAOYSA-N 452.483 5.394 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(N2CCCC2=O)c1 519012408 OHIYSIGBWBFNDJ-HXUWFJFHSA-N 468.557 5.341 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(F)c2F)nnc1-c1ccc(Cl)cc1Cl 520761388 RBKWEKDFZGUOGF-UHFFFAOYSA-N 455.317 5.447 30 20 JKED N#C[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1cccc(Cl)c1Cl 521769711 TVCDSCKOGGFXRY-AWEZNQCLSA-N 458.292 5.936 30 20 JKED COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 522950801 DHPXVOCKSJTQNO-JOCHJYFZSA-N 457.530 5.607 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)c(-c4nnc5n4CCCCC5)c3)o2)cc1 524380926 FFNLJPUKAANMDO-UHFFFAOYSA-N 471.492 5.107 30 20 JKED COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1OCc1ccc2ccccc2n1 524386478 CGDWZCQLYNBVDD-GOSISDBHSA-N 453.498 5.100 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)c1 594662642 MYXQWPVIZNJTMT-NYMHPOLGSA-N 477.608 5.120 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4cccc(Br)c4)n3)cn2)c1 603623151 FORXRBZYKOLNGQ-UHFFFAOYSA-N 491.370 5.813 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 603637519 VZVUSDGCPGCHAL-UHFFFAOYSA-N 484.943 5.645 30 20 JKED Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603774311 HWTYKSWIAOPADD-UHFFFAOYSA-N 495.539 5.222 30 20 JKED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccc(NC(=O)Nc2ccccc2)cc1 604033727 WCVSETILHRJWJN-OAHLLOKOSA-N 488.491 5.261 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 604523329 IMJPGSPDKGGGPH-YIXXDRMTSA-N 483.568 5.224 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCN(c3c(C#N)cnc4ccccc34)CC2)cs1 608788675 KUIOVYWDMSVLTD-UHFFFAOYSA-N 496.640 5.187 30 20 JKED COc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2c[nH]c3ccccc23)cc1 608917650 ODZVNLPXFBGTFA-SANMLTNESA-N 466.585 5.800 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(Br)cc1 609387563 QOHLKCKBCNKACQ-HNNXBMFYSA-N 465.438 5.594 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 609400743 VAVIIJGWRQVZKI-AVRWGWEMSA-N 489.666 5.723 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 609401542 VTSRJXSAOZLKCF-BTYIYWSLSA-N 470.019 5.498 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 614381754 XWQIWRMRELMXLC-AWEZNQCLSA-N 481.858 6.005 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)nnc1-c1ccc(Cl)cc1 617896129 KJYYOBJUNKSZDJ-JKSUJKDBSA-N 487.025 5.160 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nnc1-c1cccc(C)c1 617940284 GOCWZNSEOUKYSM-QGZVFWFLSA-N 485.451 5.341 30 20 JKED O=C(c1cccnc1SCc1ccc(F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618303138 JUUKPKQBRIPITB-KBPBESRZSA-N 466.422 5.716 30 20 JKED O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)c(C(F)(F)F)c(F)c1 622319967 SILVDCMOIHVINZ-UHFFFAOYSA-N 454.317 5.091 30 20 JKED O=C(Nc1ccc(Br)cc1F)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642396638 SDTZYWOKIAZGFU-HTQZYQBOSA-N 451.180 5.619 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(OC)ccc1OC 726398467 UEDKVZUTROCRRQ-IBGZPJMESA-N 495.523 5.093 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OCCC)cc3)C(=O)N2Cc2ccccn2)c1 726409426 ATWVXEORNPZGCS-VWLOTQADSA-N 498.608 5.012 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccs2)cc1F 726411440 LYKRYHHEVMXDSZ-NRFANRHFSA-N 483.590 5.365 30 20 JKED CC(C)CC(=NNc1ncnc2c1c(Br)nn2C)c1cccc(C(F)(F)F)c1 726739646 QGBBLAFBANHNEH-UHFFFAOYSA-N 455.282 5.007 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 728034662 FLYKSMOHYIEJSF-SFHVURJKSA-N 497.311 5.481 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 728127607 ZMHQNDGORHFBTR-HDICACEKSA-N 472.511 5.411 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728129720 ZUMNFCVLABBFTL-LMOYCYGVSA-N 476.383 6.461 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)cc1OC 728230700 FRDPURAKCIENCY-RUDMXATFSA-N 481.932 5.285 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1ccccn1 728426711 XXMJOQGMAWFDHR-UUOWRZLLSA-N 483.597 5.237 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 729144585 DTAQGEVOJIOWDP-GOSISDBHSA-N 488.997 5.405 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3scnc3C)C2=O)c1 729144944 HFCZBJBTBNSOKI-HXUWFJFHSA-N 482.606 5.368 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ncccc2C)cc1C 729631991 WSYBQGJGDDPNKF-HSZRJFAPSA-N 476.577 5.306 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)c1 730444301 LRRXHTXKWKRGFD-HSZRJFAPSA-N 494.592 5.196 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730943650 IKEFAXYVWGXOIS-KSFYIVLOSA-N 495.004 5.465 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N([C@@H](C)c2cccnc2)C1=O 730943831 LCKRCYYUCYIDFY-SBUREZEXSA-N 492.576 5.259 30 20 JKED COc1cc(OC)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1Cl 746000994 RMWODNZPFGTFIA-ALCCZGGFSA-N 478.904 5.673 30 20 JKED COc1cc(C(=O)/C=C\c2cccc(OCc3ccccc3)c2)ccc1S(=O)(=O)C(F)F 747066820 PGLXCHZYVXGCQH-BENRWUELSA-N 458.482 5.167 30 20 JKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 750301472 GEOOTQIXIGXALE-JIPXPUAJSA-N 450.586 5.790 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1 750393889 AWJHGFMRGURGJG-YOEHRIQHSA-N 485.972 5.148 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)C)CC2)c1 837447971 IUSYJMAISVMUJH-DEOSSOPVSA-N 478.662 5.137 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccs3)C2=O)c1 837834632 BUQAPIVMFXBRLA-NRFANRHFSA-N 465.600 5.226 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3ccccn3)C2=O)cc1 837835450 RVFJDPKPNUGEIE-KOSHJBKYSA-N 486.597 5.314 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)cc1F 838532667 HINVUUFDQGHUPW-HXUWFJFHSA-N 461.534 5.124 30 20 JKED C=C(Cl)CSc1nc(C)c(Cc2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)s1 856568824 QUADIQIYUNCCSS-MRXNPFEDSA-N 467.060 5.166 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)c3)C2=O)c1 912771764 HFWKQELQYRFQER-XMMPIXPASA-N 489.597 5.173 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2cc(C)on2)nnc1-c1ccc(Cl)cc1Cl 912930915 MBEFUEZZQAVXMQ-GOSISDBHSA-N 478.405 5.190 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)OCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)c12 915575133 WBJMPADOSSMHPQ-UHFFFAOYSA-N 480.952 5.118 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccco3)C2=O)cc1 916207793 LNCNFBLJFFGVCU-QHCPKHFHSA-N 475.570 5.260 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 916217181 HDEKGUADWDQORA-QGZVFWFLSA-N 453.461 5.215 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccco1 916218009 ZVJAHVVAMHUHDM-FQEVSTJZSA-N 469.513 5.335 30 20 JKED N#C[C@@H](C(=O)CCSc1nc2ccccc2s1)c1nc(O)c2c3c(sc2n1)CCCC3 916847670 SUCYIQWFPJGGHD-ZDUSSCGKSA-N 466.613 5.244 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1cccc2ccccc12 916915252 AXIOWVBNKKKXRP-OAQYLSRUSA-N 462.596 5.435 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 916927312 HJZIXZFVNDFHRA-SFHVURJKSA-N 476.323 5.202 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1Cl 916936900 CCCYIUAYPPEXAJ-HXUWFJFHSA-N 486.915 5.335 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976036 IHGRXEZQDAPQQF-BFUOFWGJSA-N 455.992 5.779 30 20 JKED Cc1nc2ccnn2c(C)c1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 917431676 UOZNNLPAGKIXSK-QGZVFWFLSA-N 470.385 5.586 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C 917505354 MVSAEDNKAIJCGS-MLUDITRGSA-N 463.578 5.337 30 20 JKED COc1cc(OC)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1Cl 917562373 GJAAOFMZGSZFSZ-TWGQIWQCSA-N 460.914 5.534 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 917612019 BJZFWCFFDPDVNC-UHFFFAOYSA-O 479.629 5.715 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(OC)c(Cl)c2)cc1 917612540 XINCJGXKUGIGGX-UHFFFAOYSA-O 464.998 5.784 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 918313199 YBVYRMCEEFHNBB-RRPNLBNLSA-N 467.569 5.433 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 919513189 DJFFDJXKAFHKMX-LBPRGKRZSA-N 493.730 5.874 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cs1)c1c(C)cc(C)cc1C 919638065 YALZJWHKMLIRIQ-RUZDIDTESA-N 491.613 5.771 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3ccc(C(C)C)cc3C2=O)cs1 920068496 PSHCFXAZTNLUEJ-YVLHZVERSA-N 452.963 6.263 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccccc1Cl 920102537 UNQNSLWBRUMQOA-HXUWFJFHSA-N 472.928 5.923 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)COCC(F)(F)F)C2=O)cc1 921254694 ZNSZWULFSCUZAH-PXNSSMCTSA-N 493.551 5.231 30 20 JKED COc1ccc(OCc2ccccn2)c(C=NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c1 921256739 WYBFREVLCFUUHJ-UHFFFAOYSA-N 487.581 5.256 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nc(O)c3c(C)c(C(=O)OCC)sc3n2)cc1OC 1317701037 ZDAMBAHEEHJDHS-GXDHUFHOSA-N 460.939 5.192 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1 1515042621 SJZJTSLOMWGJJK-GOSISDBHSA-N 489.626 5.047 30 20 JKED CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1)SC 1545773047 UPQWCCFEWXQIJK-UHFFFAOYSA-N 493.662 5.085 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1785842715 JKQHLDVRPQKBQG-JOCHJYFZSA-N 495.664 5.370 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)CCC2)cc1 1786367512 RRHOIVAOBWJBEN-DWACAAAGSA-N 489.660 5.233 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(Cn4ccnc4)cc3)cc2)CCC1 1786786784 XJMYWGSQPQDZCR-FQKQOIFNSA-N 488.657 5.033 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)c[nH]2)cc1 1787031108 XGBMJFQKBZPSCC-UXHLAJHPSA-N 480.568 5.450 30 20 JKED COc1ccc(C(=O)CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1 1787692583 QSZIHNOBPCGWMD-UHFFFAOYSA-N 495.579 5.172 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)ccc5[nH]4)cc3)CCC2)c(C#N)c1 1789233421 MJEJNEAJCLHMTD-UHFFFAOYSA-N 496.542 5.178 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccn5cncc5c4)cc3)CCC2)c1 1789348916 MFSURPRMKIQTJO-LJQANCHMSA-N 463.541 5.023 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c[nH]nc4c3)CCC2)cc1 1789508990 ZUCAJJJSEWAQJV-UHFFFAOYSA-N 472.665 5.362 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4n[nH]cc34)CCC2)cc1 1789626300 RLYKGDWWQVSGAW-UHFFFAOYSA-N 465.985 5.351 30 20 JKED C/C(=C\c1cccnc1)C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790083791 JFRIAJYOIMSINU-OBGWFSINSA-N 470.960 5.458 30 20 JKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)CCC3)ccc2n1 1790290036 KQOQEULMIAYOJX-UHFFFAOYSA-N 460.537 5.476 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CC3(F)F)CCC2)cc1 1790521468 KVDLOWPQGVWWKI-DVECYGJZSA-N 491.579 5.025 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/Sc3ccc(C)cc3)CCC2)cc1 1790566678 CWHHHEHVJCVRAI-QMEWPPBRSA-N 465.619 5.536 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)Sc3cccs3)CCC2)cc1 1790567486 MOZOOSYCTABOQH-IAGOWNOFSA-N 459.637 5.164 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc4cnccc4[nH]3)CCC2)cc1)c1ccc(O)cc1 1791642831 YWCAYWDAQGLLSV-NRFANRHFSA-N 492.579 5.213 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2cc3ccccc3o2)c1 1797702981 KVKASXRNZNWQKY-JMXGKTQKSA-N 453.542 5.025 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Cl)cc(Br)c2[nH]1 1801017547 BMTXALRCCFNSLT-BCDXTJNWSA-N 490.829 5.029 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1803085705 BZHARXNUMBHYGW-AOYPEHQESA-N 451.655 5.462 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)CCC4CCC4)C3)CC2)cc(C(F)(F)F)c1 1805797029 XHNDFLUDUVKYBY-UHFFFAOYSA-N 461.528 5.002 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC4(CCN(C(=O)c5cc(C)cc(C#N)c5)CC4)C3)c[nH]2)cc1 1807426249 VDUHVJJWFYILFE-UHFFFAOYSA-N 480.612 5.329 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccnc1 1810174198 MEGXXUMBCIGDHM-YYDVJCTNSA-N 472.416 5.476 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 1810271401 FTLZPGDHIHTFLE-WNCULLNHSA-N 487.676 5.199 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1)c1ccccc1 1810443218 FRGFLSMMMCPLNG-UWPQIUOOSA-N 491.591 5.345 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2sccc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1810443242 GCVMGYIVLDVCEU-WPFOTENUSA-N 492.044 5.313 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1810500206 MUPIMHCASHPYSB-URXFXBBRSA-N 480.052 5.465 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)c4ccccc4c3)C2)CC1 1810760404 UTBOBJQWNICPTQ-IBGZPJMESA-N 499.449 5.038 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccccc4)CCCC3)[C@@H]2c2cccnc2)c1 1811923389 COIGIBZHWLPGSC-LBNVMWSVSA-N 492.623 5.093 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1812997902 SUAGNQQILAFZTH-QBHLCAJUSA-N 491.635 5.088 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)[nH]n2)C1 1814397051 QEOMSSRJRFVISA-XMMPIXPASA-N 480.572 5.225 30 20 JKED Cc1c(F)cccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814610230 OLSIRFAOPRVVKR-HJPURHCSSA-N 459.525 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(OC)c(OC)c2)n[nH]1 1815504599 DZNVRRSMBGLKBM-NRFANRHFSA-N 482.625 5.044 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)[nH]n1 1815572396 KQCZYIBNHVBISN-HNNXBMFYSA-N 494.411 5.606 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(Cl)s3)n[nH]2)c(Cl)c1 1815731375 OWRTYORYJWCBFD-SFHVURJKSA-N 488.400 5.198 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165113 CMBNEARCZDOSEO-OAQYLSRUSA-N 478.980 5.823 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)cc3cc[nH]c23)n[nH]1 1818610561 ZMWIQVKDVRUCSX-KUHUBIRLSA-N 484.398 5.172 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985669 ZIWTVZDNTWBYKP-PGRDOPGGSA-N 499.537 5.984 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)[nH]n1 1819302047 YKDYILDAQJEHFN-KNQAVFIVSA-N 459.550 5.139 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3nc(C)ccc3c2)[nH]n1 1819554608 KTNSDZHOXFGFMT-HSZRJFAPSA-N 459.594 5.565 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1ccccc1 1820220938 JIVNZYJUGCAYMD-HTAPYJJXSA-N 475.980 5.434 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820228945 FEUHSADJBSMZPI-GOSISDBHSA-N 458.971 5.034 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3c(Cl)c2OC)n[nH]1 1820236034 UPCCUSJRQKLORN-IERDGZPVSA-N 496.995 5.122 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)C)nn2CC)n[nH]1 1820352861 NGSISTRBOXSCTB-FQEVSTJZSA-N 454.619 5.048 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4)n[nH]3)c2O1 1820547483 OICLFKCQYVSDCZ-QHCPKHFHSA-N 483.572 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N3CCCOC3=O)cc2)n[nH]1 1821336181 MYDOFEGYXPWGRZ-JOCHJYFZSA-N 493.608 5.055 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccoc3cn2)n[nH]1)c1ccccc1 1821376294 IVJZJQHMROEKSC-QPPBQGQZSA-N 481.556 5.054 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c(Cl)c1 1823210617 KULYCLJEIBYJFO-HXUWFJFHSA-N 486.334 5.347 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216144 CKIIEBQINXTSMN-NLFFAJNJSA-N 469.589 5.202 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)n[nH]1 1823310773 JGDAGYJRRPEZMX-KRWDZBQOSA-N 467.784 5.479 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)CC2)c1 1823668639 CGUVCSQCTHBZHA-QHCPKHFHSA-N 499.442 5.126 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)CC1 1823751942 DYAMNUWSURCBPM-VGCGRUFVSA-N 466.691 5.486 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1823752381 DQWPEXDYBDICHV-SANMLTNESA-N 492.664 5.311 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc5ccoc45)sc3C2)c1 1824259815 YJGWDUVBZPLVKD-HNAYVOBHSA-N 470.554 5.056 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1824499831 PQMVUCGEJZPUEM-QHCPKHFHSA-N 497.602 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1825190538 HGLBMHUYWNOSOJ-OAQYLSRUSA-N 479.587 5.255 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cnc2C)CC1 1825448698 IEYTWANEWGQWIY-QHCPKHFHSA-N 488.470 5.154 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC(F)(F)F)CC1)c1ccccc1 1826668940 BVUICMCQVBLDFE-PKTZIBPZSA-N 462.556 5.146 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCCC3)CC2)c(C(F)(F)F)n1 1827326478 LBUQPOBYKZTIKB-JOCHJYFZSA-N 490.570 5.176 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Br)c4ccccc4c3)CC2)CC1 1827533657 MMDPNHFAZQPQNI-HSZRJFAPSA-N 494.433 5.139 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)CC1 1827710678 UCKNMVOLTXXXKR-SANMLTNESA-N 474.649 5.182 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827734780 KQFXFNYYNPKRTO-OXQOHEQNSA-N 461.027 5.152 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1828219011 CDRVHMGWVSBRAO-VWLOTQADSA-N 485.584 5.060 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828351541 UDTHUDATKRXCHN-YHPQFSOISA-N 454.636 5.020 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1828656617 XUQSDKPUQBTMMD-HTAPYJJXSA-N 486.454 5.376 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828998407 CMGLDFBTGUFRLF-KXKJEIKKSA-N 457.659 5.315 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2Cl)CC1)c1ccccc1 1829032060 ISXFCRRGZIKNPX-VWNXMTODSA-N 467.009 5.364 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685666 MRXQWZUWDYAKPJ-IBGZPJMESA-N 465.972 5.126 30 20 JKED Cc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1829946725 IDYQXSRUBNGSCO-AREMUKBSSA-N 473.617 5.201 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)c1 1829956833 UNRROECUCWEUKU-QFIPXVFZSA-N 488.390 5.551 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1829998079 UTQJVPJCRFFXIR-DFBJGRDBSA-N 497.561 5.880 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1830413820 GRUNTHZDVREBEY-YLJYHZDGSA-N 490.069 5.589 30 20 JKED COc1cc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1830586960 PKODVLIAUBHXQJ-CJAUYULYSA-N 495.570 5.148 30 20 JKED CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cn1 1830755094 OQJNLMZDJIBROA-XMMPIXPASA-N 498.549 5.082 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(F)c3F)CC2)c1 1830770103 JHGPKPBAEPTCFY-DEOSSOPVSA-N 465.544 5.000 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1830770794 HEKVPRSYHPYXHL-HHHXNRCGSA-N 473.617 5.203 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1831852069 NPHUQIDNHPFNKO-DEOSSOPVSA-N 492.582 5.445 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cccc2F)CC1)c1ccc(O)cc1 1831926349 RFTGWKIUSHWKGE-ATIYNZHBSA-N 494.582 5.101 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc(C(F)F)c3)CC2)c1 1832634622 NQSSJJVYLKTDKZ-UUOWRZLLSA-N 480.559 5.193 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)CC1 1832668978 LQQMFYWGEMGYMC-OFNKIYASSA-N 459.030 5.350 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1832822751 OEOUDNUENCFPJV-XAZLJPHMSA-N 469.069 5.647 30 20 JKED C#CCCC(=O)N1CCC(OC2CCN(C(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CC2)CC1 1838678501 NNMRJQBHIJUAHQ-UHFFFAOYSA-N 480.693 5.307 30 20 JKED C#CCCC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3CSc3ccccc3)CC2)CC1 1838685385 ZPWPCYSAKDKJHI-UHFFFAOYSA-N 490.669 5.005 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2cc(-c4ccccc4)nc4ccccc24)C3)c1 1845485612 ZWQDWOKGRYSTHT-UHFFFAOYSA-N 490.538 5.043 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)C1 1845638374 IRNUIZBSUMLUFZ-UHFFFAOYSA-N 492.845 5.393 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 9838750 XCAZJTBPEFBXFJ-NRFANRHFSA-N 456.976 5.278 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2CC)cc1 10173854 WHRJNKRUVCGNAZ-UHFFFAOYSA-O 461.651 6.284 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 10174745 UDDHDLZOLXDPGX-UHFFFAOYSA-O 457.663 6.590 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccccc1OC 10242814 DBGSGAPXMMLNPE-HSZRJFAPSA-N 476.627 5.199 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 11083092 NAQVWCFWFPFTRC-UHFFFAOYSA-O 496.628 5.502 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nc2ccccc2c1=O 16696379 ZBTODRGOTHCOHQ-UHFFFAOYSA-N 475.618 5.109 30 20 JKED O=C(/C(=C(\S)NC1CC1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Br)cc1 22688193 KDTZTLPKUSXZGV-UHFFFAOYSA-O 466.424 5.018 30 20 JKED COc1ccc(Oc2ccc([N+](=O)[O-])cc2/C(O)=N/c2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1 30558455 JRDJZZKELSUOAQ-IYBDPMFKSA-N 498.561 5.098 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCC(=O)N(C)Cc2ccc(C#N)cc2)n1-c1ccccc1 32617541 OTOMAUJMQOVXQG-UHFFFAOYSA-N 497.624 5.086 30 20 JKED Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 32742174 QYRCRDCHIOMRIQ-UHFFFAOYSA-N 469.570 5.396 30 20 JKED N#C[C@@H](C(=O)CSc1nc(C(F)(F)F)nc2ccccc12)c1nc(-c2ccccc2)cs1 46582127 YDWFXWBGMAOQDU-HNNXBMFYSA-N 470.501 5.741 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cnn1-c1ccc(C(F)(F)F)cn1 60139837 XKSDUZVTDWSEGS-UHFFFAOYSA-N 460.353 5.820 30 20 JKED N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 72033958 OQWKOBZVUBOCLP-UHFFFAOYSA-N 486.557 5.286 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 108881115 AJNRYWQWBOMJGR-HSZRJFAPSA-N 462.933 5.601 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2CSc2cccs2)cc1 109280574 YUVZVRVYWABSOT-UHFFFAOYSA-N 463.584 6.346 30 20 JKED C=CCn1c(SCc2nc(-c3ccsc3)oc2C)nnc1[C@@H]1COc2ccccc2O1 116679432 XUYSLWQLVSZHPT-IBGZPJMESA-N 452.561 5.294 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc12 253604703 OIXOPCBVRWGQLT-QGZVFWFLSA-N 485.594 5.475 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 409826639 FGRGNAMOKDRYEO-GOSISDBHSA-N 499.379 5.437 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)cc2F)c1 481263054 WKATWCAIDJVHTO-OAQYLSRUSA-N 495.963 5.222 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 483375722 NFSMIFOWXVQHBT-UHFFFAOYSA-N 496.007 5.806 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](c4nc(-c5ccc(Cl)cc5)no4)C3)c2)cc1 486653287 PTVZBNSNLCYHIC-NRFANRHFSA-N 484.943 6.074 30 20 JKED COC(=O)CSCc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 487470365 IJDHGGKUUCMZGI-UHFFFAOYSA-N 462.596 5.509 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)c2ccncc2)cc1OCC 488587292 ONJKGHRIUBMKAL-HSZRJFAPSA-N 453.380 5.687 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCOc2ccc(Cl)cc2Cl)cc1 490628406 HFKICPZSSKUSRR-UHFFFAOYSA-N 455.341 6.046 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(OCc4ccccc4F)cc3)CC2)c1 502593430 GZDSMOLWWPPMCR-UHFFFAOYSA-N 472.520 5.159 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 505645695 OPGXEBJZESGOLG-AWEZNQCLSA-N 467.865 5.327 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 508253832 UAIQIHFPFOKJDB-HSZRJFAPSA-N 473.529 5.745 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(Br)s2)cc1 508278508 LCZWTJNGYLOMRW-UHFFFAOYSA-N 458.337 5.505 30 20 JKED N#Cc1c(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)sc2c1-c1ccccc1CC2 508974119 AVIIWIZPNKSTED-UHFFFAOYSA-N 461.631 5.579 30 20 JKED C=CCN(C(=O)c1ccnc(-n2cncn2)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 512389354 KMAHMNNVZAVXHC-UHFFFAOYSA-N 464.554 5.286 30 20 JKED Cc1csc([C@@H](C#N)C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)n1 513661914 WZMDVOFXKOIGDR-INIZCTEOSA-N 458.312 5.096 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c3c2CCC3)cc1 517416668 SXFWMKOJCMUFPX-QFIPXVFZSA-N 463.566 5.409 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 517473586 QSJFTEJTBKSOLN-IBGZPJMESA-N 457.603 5.218 30 20 JKED C=CCOc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 517836175 JIVAHSBYHNTUJZ-JOCHJYFZSA-N 473.960 5.273 30 20 JKED Cc1ccc(Br)cc1NC(=O)CCNC(=O)Nc1ccccc1SC[C@H](C)C#N 518683455 VCFUKFFUVYLXKQ-CQSZACIVSA-N 475.412 5.160 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 518876640 RGQKNZOCVJJJOE-UHFFFAOYSA-N 490.907 5.001 30 20 JKED CCOC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cccc(OC)c1 519052289 OXVIGNALBJSVFD-XMMPIXPASA-N 459.502 5.175 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 519439449 NWIJOVHYFSSKPF-INIZCTEOSA-N 489.441 5.460 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1nc(-c2c(F)cccc2F)cs1 520427464 KOWCZNKLVSCARE-INIZCTEOSA-N 476.508 5.015 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2nc3cc(Cl)ccc3s2)cc1 521287028 OLVSXQDUCNPHRP-UHFFFAOYSA-N 462.962 5.916 30 20 JKED C=CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1cc(Br)ccc1F 577716291 QTRJCMCWIQLIGS-INIZCTEOSA-N 476.415 5.467 30 20 JKED COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 588089814 FHGHCIABVNOPIZ-OKILXGFUSA-N 492.391 5.290 30 20 JKED O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)Nc1ccc(F)cc1C(F)(F)F 590336399 LIBCDUPTOSHKGZ-UHFFFAOYSA-N 464.381 5.733 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 590460172 MXQDIFHJDYKZBB-LJQANCHMSA-N 460.505 5.204 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)s2)cc1 603622663 BNPPVKNLCWFXKK-UHFFFAOYSA-N 456.527 5.829 30 20 JKED N#Cc1c(CCCNC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)nn(-c2ccccc2)c1N 603802499 AZVURGBSNMVHJA-MHZLTWQESA-N 490.567 5.094 30 20 JKED COC(=O)C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 603805803 IEZMLKBONSRHQS-AZUAARDMSA-N 453.951 5.483 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccnc3Sc3ccccc3)c2)c1 603995510 HUKXKNABBRLXMY-UHFFFAOYSA-N 450.523 5.609 30 20 JKED COc1cc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc(OC)c1OC 604026595 CGKFHZQQUHBSCM-UHFFFAOYSA-N 452.894 5.211 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 604443967 GFPCXQOTIXDGCN-UHFFFAOYSA-N 466.541 5.184 30 20 JKED COc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604488515 OMJHKOFTEJJMQC-UHFFFAOYSA-N 477.948 5.045 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1CSc1nc2ccccc2o1 604490712 ZLTXDBMYVQRZDL-UHFFFAOYSA-N 457.555 5.281 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccccc2SCC(F)(F)F)CC1 604532917 QXYIZMKGSUHAEY-UHFFFAOYSA-N 471.508 5.115 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc(OC)c1OC 609007643 FXNCKMFPNIJBES-INIZCTEOSA-N 491.491 5.158 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 609067096 TYRYKPQJNUZQAG-UHFFFAOYSA-N 462.431 5.333 30 20 JKED CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4ccccc4SC[C@@H](C)C#N)CC3)c[nH]c12 609403447 XJEBCAGOEVIYIK-SFHVURJKSA-N 474.630 5.327 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 609439038 UCRVSOQVVOGZBQ-PGRDOPGGSA-N 487.069 5.708 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccc(F)cc2Cl)cc1 609439892 SJXXFMIUIVERED-BXKMTCNYSA-N 496.007 6.026 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 622686261 DIYWFESGIXUYRA-AWEZNQCLSA-N 463.340 5.545 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1cccnc1 623014789 LHKKWPWPYGHSQY-KRWDZBQOSA-N 477.590 5.077 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccoc1C 648080562 VDIRRWWFDJMORL-INIZCTEOSA-N 457.625 5.336 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC3CCC3)C2=O)c1 726404989 BAOURVIFNBVFKV-QFIPXVFZSA-N 481.021 5.589 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(C3CCCC3)C2=O)cc1 726422697 YICJZWUMGVOTAR-BUOZQURKSA-N 469.632 5.283 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N([C@@H](C)c2ccccn2)C1=O 726423396 ZDJNGSHMJBRXKJ-AJFFZHMISA-N 494.642 5.303 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)C=C1 726572012 MNBVADZOZYHESN-UHFFFAOYSA-O 464.998 5.013 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726573395 ZNTARNNERBQFNO-UHFFFAOYSA-O 469.674 6.775 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cc(C)sc2C)cc1Cl 726889307 FDEHDTSFBPQUOJ-RNODOKPDSA-N 492.066 5.388 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 727309925 PZQRAIZQEVNKEM-UHFFFAOYSA-N 477.564 5.536 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1=S 727423588 JFRWBWUFNFGAAH-HXUWFJFHSA-N 462.953 5.230 30 20 JKED C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728000322 YMGRKELZOKZZMC-UHFFFAOYSA-N 457.917 5.246 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCCOC3CCCC3)C2=O)cc1 728423181 PQCWBNUVIMEDSB-HSZRJFAPSA-N 494.592 5.007 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c1 728777778 OHUXZFDICHCUFR-HSZRJFAPSA-N 462.619 5.574 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3scnc3C)C2=O)cc1 729144766 FMMGOFHGZLVIHL-IBGZPJMESA-N 468.579 5.060 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccccc2-c2ccccc2)cc1 729669686 JFFUCCQEZPQWGM-UHFFFAOYSA-O 485.585 5.634 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(C2CCC2)C1=O 730460955 JCAFOEDVXOLYME-LJQANCHMSA-N 493.507 5.107 30 20 JKED Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2c1 730474869 OWIKWVKSUWSAGW-UHFFFAOYSA-N 457.493 5.917 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c1C 730712724 MYZRZKKZIJZIOU-HXUWFJFHSA-N 486.956 5.244 30 20 JKED CCC(Cc1ccc(Cl)cc1Cl)=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O 730946299 OUVNUYIPWKDLBJ-UHFFFAOYSA-N 476.433 5.086 30 20 JKED Cc1nc(-c2cccs2)ccc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731068325 ZUCVNIQQORFNPS-OAHLLOKOSA-N 451.573 5.308 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2c(c1)CCC2 731312171 IRRVNDRNZRZISH-OSPHWJPCSA-N 489.597 5.065 30 20 JKED CN(Cc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)OC(C)(C)C 742516452 ZUKDBPMLFIDLHD-UHFFFAOYSA-N 471.557 5.756 30 20 JKED COc1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1OCc1ccc([N+](=O)[O-])cc1 745626749 QPLNAJBEORCCQT-YRNVUSSQSA-N 474.469 5.035 30 20 JKED COc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 745627052 XGLMZWARYOPNFA-YRNVUSSQSA-N 474.469 5.035 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCOC(C)(C)C)cc1 746697207 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479.005 5.765 30 20 JKED C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2Br)ccc1Cl 913008668 NEARHVOJSWJFFX-UHFFFAOYSA-N 483.815 5.026 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C(C)C)C2CC2)ccc1Cl 914471249 OFIHWLFZUJKGIB-UHFFFAOYSA-N 467.418 5.388 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)nc(O)c2c1C 915088687 UXWRYOYMQXOCBG-LAUBAEHRSA-N 488.638 5.930 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc(-c2ccccc2)cs1 915101451 BRBDNBYUTVQHGA-ZWKOTPCHSA-N 484.408 5.846 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 915733302 KFHMMSXTHAUQDE-WUFINQPMSA-N 459.549 5.381 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(OC)c2)cc1 916206499 RURDAAYKPFQZNV-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccccn2)C1=O 916209724 RHOXHXBNSDFQLS-JOCHJYFZSA-N 496.995 5.386 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916210705 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C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)C2)C1 1781147540 SHTZKSMANMFNLX-PIKZIKFNSA-N 498.067 5.064 30 20 JKED COc1cccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)CCc5ccc(C#N)cc5)cc4)CCC3)c12 1785797589 VVUKTYZZPLFEEL-UHFFFAOYSA-N 492.579 5.429 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccoc3)cc2)CCC1)NC(=O)OC(C)(C)C 1786749632 BKORAWCSUIAAFC-IYJBSMEOSA-N 493.604 5.286 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCc3cc(F)ccn3)cc2)CCC1)c1ccc(O)cc1 1786824233 RVOHKVQTNYTUFT-QFIPXVFZSA-N 499.586 5.190 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnn(-c4cccnc4)c3)cc2)CCC1 1787138506 GEVJEDUIRWSWMZ-UHFFFAOYSA-N 499.691 5.066 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cncc(C(F)(F)F)c4)cc3)CCC2)c1Cl 1789877387 AXEGKRBRLZDHKX-UHFFFAOYSA-N 498.892 5.687 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790837479 ZBQVEOLRUSIAPW-UHFFFAOYSA-N 477.992 5.619 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)cc2)CCC1 1791198829 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C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1799146212 RYENZCNVNGWDOR-BCDXTJNWSA-N 469.557 5.360 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(Cl)cccc4s2)C3)c1Cl 1799302239 AZCHYFQUBRBVLI-MUJYYYPQSA-N 484.408 5.645 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(CCCCC)s1)C2)c1ccc(O)cc1 1802420611 FQJFIXOELJITMO-GPJHCHHRSA-N 493.673 5.030 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ncsc23)[C@@H]1c1cccnc1 1802495829 FZJCYGVEYHGJTI-DENIHFKCSA-N 462.619 5.003 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1803093094 OYIIVQZWZUXSDY-WMZHIEFXSA-N 489.513 5.328 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)[C@H]1c1cccnc1 1805687886 VOLRPJURVKVYBL-SZJUTTIESA-N 498.627 5.541 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)C1 1806065624 HNSGMBMMYCJPPR-YADHBBJMSA-N 465.103 5.265 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(OC)cc3Cl)C2)CC1 1806739137 TZDURBZLRQAPQL-UHFFFAOYSA-N 461.046 5.115 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@H]1c1cccnc1 1807483970 YQTCMFXTWTZGRC-IDNYDCHQSA-N 485.628 5.310 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1810175007 OOXMMJCGAUUETH-ARNLJNQMSA-N 486.641 5.293 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1810175305 VDMDAUDBFSTDRK-JDBUMTGOSA-N 495.623 5.962 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1810181742 JXPFNHDFLYPABI-SXDGJLEOSA-N 493.607 6.069 30 20 JKED CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)CC1)c1ccccc1 1810338713 MGNUMMGWBHPSOQ-NRFANRHFSA-N 498.549 5.011 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1810491301 BYUGHCKJGJYDNQ-YADARESESA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1810498710 PEDDWTAJGQVYCS-VWNXMTODSA-N 488.657 5.517 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1810505441 UUUCAKBOVNLCSI-ILBGXUMGSA-N 453.671 5.686 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1 1811182331 RYHONZSKQIHDCZ-VPUSJEBWSA-N 488.676 5.384 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1 1812590337 HQZSYOKBJOUQOM-LZFQIVBZSA-N 460.405 5.229 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1813863000 BWVYPVMTLKTGBY-FSBIKVCPSA-N 484.625 5.193 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[nH]n2)C1 1814392526 XMCPYBKOQJUHTL-GMAHTHKFSA-N 455.002 5.461 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Br)cc(C(C)C)c3)[nH]n2)C1 1814397902 ZVTIDVVDGFAUQD-OAQYLSRUSA-N 485.426 5.568 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)[nH]n1 1814829298 DIQXPPATEWOEGL-VWLOTQADSA-N 469.589 5.546 30 20 JKED Cc1ccc(C)c(OCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1815648623 CVSWWRRMHZTVME-RDPSFJRHSA-N 485.588 5.039 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2coc(C(C)C)n2)n[nH]1)c1ccccc1 1816093350 XTYGIJPKHSUZGS-NFBKMPQASA-N 473.577 5.024 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817947635 IQITZQAFHDYWPE-KUHUBIRLSA-N 453.974 5.371 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cccnc34)n[nH]2)c1Cl 1818483500 SQXYBTSIDPSEGL-NRFANRHFSA-N 484.947 5.103 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1818660767 DKIDOQAENMXCCG-HJPURHCSSA-N 497.555 5.417 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@]3(F)CCCCC3(F)F)n[nH]2)c(Cl)c1 1818891079 WZYSRCHDWDKIGF-XMSQKQJNSA-N 493.917 5.158 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)[nH]n1)c1ccccc1 1819518467 RDZRSWSIDPPQMW-XUZZJYLKSA-N 495.583 5.362 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2cccnc2)[nH]n1)c1ccccc1 1819521404 PUESPXZFYVEFGJ-RSXGOPAZSA-N 483.616 5.017 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)sc3Cl)n[nH]2)cc1 1819965016 AVZOLHGCUGCAFS-QGZVFWFLSA-N 488.400 5.464 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217007 AQLKLSADBQLGAK-IURSYISVSA-N 479.993 5.406 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820219956 AGOWZRDARJGOHE-FXAWDEMLSA-N 451.958 5.009 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c(Cl)c1 1820220870 FRFNSLXGYQYJPO-FQEVSTJZSA-N 493.354 5.080 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n[nH]1 1820588507 IHJQOOUKCUBMHT-UYAOXDASSA-N 460.500 5.503 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)ccc2OCC)n[nH]1 1821154535 UHCITSVBJSAIHV-GHTZIAJQSA-N 471.001 5.536 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3c(F)c(F)ccc3c2)n[nH]1 1821548173 IOTUWLAHHIYIFU-HXUWFJFHSA-N 481.547 5.534 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)[nH]n1 1821990825 YCJAHWVXKVZXCN-HEWZJLJBSA-N 499.381 5.151 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)(C)C)s2)[nH]n1)C(F)(F)F 1821991975 DLTUTRLLOXPRIY-CQSZACIVSA-N 454.518 5.193 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1)NC(=O)OC(C)(C)C 1822983161 SJGPEBBNVURXCR-YOPMBXEFSA-N 499.656 5.008 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(O)nn3)cc2)CC1 1823752983 AJDBANAVVILDRG-RUZDIDTESA-N 490.648 5.075 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)CC1 1823754711 AFKNJLULAGLMNM-QFIPXVFZSA-N 491.717 5.149 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)CC2)cccc1C(F)(F)F 1823815064 ZAEDJKJDZPCJCO-VWLOTQADSA-N 497.561 5.362 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2SCc2ccccc2)CC1 1823885059 DASOZLSAOIWHDX-XMMPIXPASA-N 490.673 5.157 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1824502548 NSCFRSUIHMNSHC-QHCPKHFHSA-N 481.464 5.518 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)oc2ccccc12 1828127831 NAUKGOCOQVAXDR-DEOSSOPVSA-N 473.548 5.299 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncncc3c2)CC1)c1ccccc1 1828650552 JYEJNTIBLKNBKZ-YTMVLYRLSA-N 494.639 5.060 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 1828828571 MAZGUHQTOJLCRN-SIKLNZKXSA-N 463.544 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)CC1 1828829806 NXWWPJBMYDEQFN-YQDWIIPZSA-N 460.662 5.496 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1828906893 OMZXDMSOFSILSH-BIGMCNFVSA-N 470.774 5.484 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3c(Cl)cccn23)CC1 1829067108 CFGFRRCUFZOFCA-NRFANRHFSA-N 471.045 5.213 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cn2)CC1 1829223461 RNMPKNUFHLHADN-HSZRJFAPSA-N 474.121 5.019 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)ccn2)CC1 1829350742 UHLQUDJWTCXVLS-NRFANRHFSA-N 465.560 5.326 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)oc2ccccc12 1829690236 RQZGNEIFTJHTJA-HSZRJFAPSA-N 490.003 5.813 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccc(F)cc3)CC2)c1 1829959199 PMLQXJYVCJLVOS-HHHXNRCGSA-N 496.586 5.306 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1830627812 ADIMRTRZGMEWIR-GMQQYTKMSA-N 490.047 5.443 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830714261 VLZGNDXHBIUBLA-DFBJGRDBSA-N 479.621 5.111 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2OC)CC1 1831241127 DZSJLTVBDZIYCQ-BJKOFHAPSA-N 473.057 5.279 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1831371026 SANUJHKOTGONNU-VGSWGCGISA-N 456.030 5.575 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831749005 LHEIGZQATMYOBR-OAQYLSRUSA-N 476.448 5.194 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1831840777 PZHDXNXPAGIFQX-KSSFIOAISA-N 495.508 5.215 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1832026072 IXOPHIYVBVHUDH-XXFRDUSWSA-N 474.567 5.532 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 1832030722 YFHNLVSBECQLCW-OAQYLSRUSA-N 477.418 5.015 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1832033814 DUALSQMGVOENPZ-QFIPXVFZSA-N 457.684 5.303 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1832053278 IBBKQYLGLARKFL-NSOVKSMOSA-N 477.693 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ncccc34)CC2)c1 1832632471 RQVDDDOHGIWGNN-LYZGTLIUSA-N 480.612 5.409 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 1832633597 LHOQKDJRIYALGP-CJAUYULYSA-N 465.544 5.139 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832635828 UQHDIBXPILGVCL-DWIDQOEJSA-N 495.667 5.669 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1C#N 1832701929 UHNXWBNXLPVVTF-SHEYNDHISA-N 485.628 5.292 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1832827710 XKJFUAIMFARLCU-XMMPIXPASA-N 481.434 5.249 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccccc3F)CC2)CC1 1832849724 NOQYUSOFMDLMSY-WIOPSUGQSA-N 452.614 5.245 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1841627023 JYVYJNCAOYWWCS-SALGDXJJSA-N 497.680 5.196 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)c1 1843202409 SLGCTPXQDIVAKI-UHFFFAOYSA-N 490.538 5.043 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)C1 1844626221 WDXACFUUXXEYSO-UHFFFAOYSA-N 453.586 5.192 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2CC)nc2scc(-c3ccccc3)c2c1=O 9041572 KDGAKXOKWRKWAJ-UHFFFAOYSA-N 461.612 5.604 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cccc(C)c2C)cc1 10167695 CXWBIOSYMGRYQF-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccccc2CC)cc1 10172903 GOEFPLKQVMQCDY-UHFFFAOYSA-O 455.550 5.751 30 20 JKED C[C@H](OC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 10692787 RBGKTCUHTYOKTQ-INIZCTEOSA-N 497.617 5.097 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)c1 11113799 OIGKRRQJJGIRPS-UHFFFAOYSA-O 459.563 5.662 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1C(F)(F)F)[n+]1cccc(O)c1)c1cccc(Br)c1 11156855 MPYMDISXXOLZHE-UHFFFAOYSA-O 496.328 5.512 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)s2)cc1 14773087 KEBSHCMCBRXPIS-UHFFFAOYSA-N 481.990 5.582 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 17187057 GUPQFTDTUBETOH-UHFFFAOYSA-N 455.495 5.237 30 20 JKED C=CCn1c(SCc2cc(OC)c(OC)cc2Br)nnc1-c1ccc(F)cc1 20067234 YNSCSXRXRGEJKG-UHFFFAOYSA-N 464.360 5.342 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 21282039 NOUSBSDTJHUQNY-UHFFFAOYSA-N 468.654 6.213 30 20 JKED Cc1cc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 22735596 VJEYVTBDBJPRML-UHFFFAOYSA-O 482.673 5.291 30 20 JKED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1S[C@H](C(=O)Nc1ccccc1)c1ccccc1 25036291 MSHLJJHNVYDALW-QHCPKHFHSA-N 479.565 5.260 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 26838756 WXHMEKRVKDRPPZ-UHFFFAOYSA-N 490.541 5.108 30 20 JKED C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N[C@H](C)c1ccc(C#N)cc1 31435500 PZWQBFNOPMNNEK-CVEARBPZSA-N 474.611 5.022 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c2)c1 32291959 SDOSIMWNPIFKBW-UHFFFAOYSA-N 483.549 5.190 30 20 JKED N#CCCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 78668439 HQUAGONAGSEFNN-UHFFFAOYSA-N 489.601 5.810 30 20 JKED Cc1cc(Br)cc(C)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 195636596 UVNCUKAUUWJLJX-UHFFFAOYSA-N 469.339 5.041 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cc1 302936043 JHCKLMYJIDKFMQ-UHFFFAOYSA-N 458.612 5.914 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1ccccc1 303294917 XSZMMYTUBDZWPL-DEOSSOPVSA-N 451.979 5.334 30 20 JKED COc1ccccc1N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 495125814 CWIBJRCLTCJPIS-QHCPKHFHSA-N 474.992 5.795 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 500759632 QHYFWOPDXGCHRJ-UHFFFAOYSA-N 475.495 5.428 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc(Br)cc1 501607050 PAXLXNFHZRUMMU-LBPRGKRZSA-N 495.805 5.805 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 505698566 YURVKGJTGOLLNJ-UHFFFAOYSA-N 457.461 5.725 30 20 JKED CCOC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccc(F)cc1 508272403 HICHMFFOWUZORK-JOCHJYFZSA-N 477.492 5.314 30 20 JKED C=CCn1c(SC[C@@H](O)COc2ccccc2F)nc2scc(-c3cccs3)c2c1=O 508503296 NDAULKXZVPRDIV-AWEZNQCLSA-N 474.604 5.044 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCSc4ccc(F)cc43)s2)cc1 510230871 MPAPWCQWQIOXTQ-INIZCTEOSA-N 457.581 5.200 30 20 JKED CCOc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 510525771 WSXXYEWKRLIPRV-UHFFFAOYSA-N 498.583 5.484 30 20 JKED CCc1cc(C#N)c(NC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)s1 511051956 ZBKLERKIOMFNDT-ZDUSSCGKSA-N 480.640 5.820 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 511689361 ZINCQOYHSOYKEF-UHFFFAOYSA-N 459.590 5.934 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCC(NC(=O)CC4CCCC4)CC3)c2)cc1 512236373 WCFYNRYVBJJCFO-UHFFFAOYSA-N 473.617 5.525 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(OCC(F)(F)F)c(C#N)c4)cc3C2=O)c1 515427226 UHXLVCNBCQNFAX-UHFFFAOYSA-N 493.441 5.169 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 515540545 ZZSNLDULOZQHJM-LJQANCHMSA-N 490.535 5.961 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 518137565 KGTJWGBHRQOLBO-MRXNPFEDSA-N 494.414 6.205 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1 518652738 AROPMYBCYOCBLX-GFCCVEGCSA-N 450.511 5.263 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nnn1-c1ccc(OC(C)C)cc1 518733572 HGXZDAJJLAJEKH-UHFFFAOYSA-N 453.502 5.279 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CCC#N)Cc1cccnc1 520126078 IFRCXBBMKCLQMG-UHFFFAOYSA-N 456.930 5.052 30 20 JKED Cc1cc(-c2cc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)c3cnn(C(C)C)c3n2)c(C)o1 520496064 WELZZTGIJCIPRJ-UHFFFAOYSA-N 485.544 5.221 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2ccccc2)cc1 521538353 YTZXZGQPBJDWRJ-HHHXNRCGSA-N 490.563 5.862 30 20 JKED COc1cccc(/C=C(/CC(=O)Nc2cc(C)nn2CCC#N)c2nc3ccccc3s2)c1 523317841 QCWNXPBAMSSRNL-RGEXLXHISA-N 457.559 5.293 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccnc3SCc3ccc(C(N)=O)cc3)cc2)c1 524412573 OWLAWFRJAHUOIT-UHFFFAOYSA-N 494.576 5.176 30 20 JKED C=CCn1c(SCc2ccc(Cl)s2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 549446814 QIIPHDBJHOHWIJ-UHFFFAOYSA-N 483.084 5.169 30 20 JKED C=C(C)COc1cccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)c1 589552961 RTEIWIMOYKJFJA-UHFFFAOYSA-N 458.583 5.575 30 20 JKED C[C@H](N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 604046418 GTDRHFAFGHDICK-CVEARBPZSA-N 464.928 5.281 30 20 JKED CCCCOc1cccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 604138664 XMOOLIUBQNEJAV-DEOSSOPVSA-N 475.976 5.429 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1Cl 604288830 XHPBVHDWVKKACF-IIDMSEBBSA-N 489.847 6.590 30 20 JKED N#Cc1c[nH]c2ccc(OC(F)F)cc2c1=NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 604303520 JQAUHSACLFJQQD-QWRGUYRKSA-N 453.333 5.451 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccnc(Oc4ccc(F)cc4)c3)cn2)c1 604540218 BFFKSYKYPXNESA-UHFFFAOYSA-N 455.449 5.394 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3oc4ccccc4c3CS(C)(=O)=O)c2C#N)C1 608802425 FNLQLMGTHLOWAG-CQSZACIVSA-N 470.616 5.314 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1cccc(C(F)(F)F)c1 608865419 MGMYQJVYECOQNM-QGZVFWFLSA-N 487.400 5.114 30 20 JKED CC[C@@H](c1ccccc1)c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 609019393 SXWCITLUKQOJCF-HKUYNNGSSA-N 450.564 5.048 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1 609082962 HYPURUFYGBNISU-UHFFFAOYSA-N 470.303 5.336 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)O[C@@H](C)C2 609356012 SOUIQGAGYCXOTR-JFJYTDJESA-N 470.529 5.145 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 609428208 DULPKPBHOOHSPA-HXUWFJFHSA-N 485.675 5.217 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 609434631 DPHNMZHYBSEZMK-JOCHJYFZSA-N 470.642 6.020 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 609436317 KXWLTDJQYLVJTF-RTBURBONSA-N 486.597 5.149 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)CC2)c2ccccc12 609563161 YTNWVAGNTKNSIM-KRWDZBQOSA-N 487.625 5.397 30 20 JKED CC(C)c1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(Cl)cc1 613404617 UOQSTXJGBLWSHN-INIZCTEOSA-N 453.880 5.884 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 615707224 SBMULXIAFFGQCQ-UWVGGRQHSA-N 462.312 5.706 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1cccc(C)c1 617936748 XMPGBQYCLGTDTO-KRWDZBQOSA-N 460.559 5.508 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)cs1 620304622 VYTNBQPMRFDOSS-QGZVFWFLSA-N 483.590 6.636 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1-c1ccoc1C 648080563 VDIRRWWFDJMORL-MRXNPFEDSA-N 457.625 5.336 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 726392432 GSYVVCMZYZLASU-HJPURHCSSA-N 497.567 5.503 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2cccs2)c1 726410114 BSZZODMBSCLZQV-JOCHJYFZSA-N 477.586 5.072 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC1CCC1)c1cccs1 726421753 PJRSVYUWFJJGHN-POOWZPKTSA-N 495.592 5.957 30 20 JKED C=CCN1C(=O)N[C@H](c2cc(F)c(F)c(F)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 728013989 ARWCZPKJCMIUGH-LJQANCHMSA-N 469.385 5.288 30 20 JKED Cc1ccc(Cl)c(NC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1Cl 728443262 FAHGNUVRICPSSJ-UHFFFAOYSA-N 456.398 6.756 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cc(Cl)cc(Cl)c1 728780702 XGCKNSOHJSYLCZ-LJQANCHMSA-N 493.391 5.787 30 20 JKED COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2S[C@@H](C)C(=O)N(C)CCC#N)c1 729235401 JVBXNLDFNBDILV-JWGRYVKWSA-N 490.629 5.056 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(CCc3c(C)noc3C)C2=O)cc1 730444730 OJMPKMRMUMHSFD-DEOSSOPVSA-N 490.629 5.420 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1 730714732 GQIKASCOTFGVKZ-DEOSSOPVSA-N 484.581 5.605 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730718497 ZZPKQSNCNZNIST-JOCHJYFZSA-N 474.517 5.127 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1 731061225 QSOHTTLJGIXOPN-HNNXBMFYSA-N 477.567 5.746 30 20 JKED C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731079893 WRNZQHXZUPUGNP-RBUKOAKNSA-N 489.597 5.421 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)cc2C)c1 731308855 QYABWWOGQWSRNZ-XMMPIXPASA-N 489.597 5.178 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731313552 ZHNYABMBPGKKSR-QHCPKHFHSA-N 491.613 5.321 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cc(C)ccc1F 743526905 XVBBMJFGXUJNKQ-GOSISDBHSA-N 478.933 5.066 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)c(C)c1 746597261 YUWMAMRHWANRNP-GOSISDBHSA-N 465.550 5.367 30 20 JKED COc1ccc(-c2nn(CN3CCC(C#N)CC3)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 747078865 IUVSIKJLHYAMEM-UHFFFAOYSA-N 473.524 5.291 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 747804358 NOCBMIISOVYIAG-JTHBVZDNSA-N 452.599 5.463 30 20 JKED Cc1nc(SCC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c2c(C)c(C)sc2n1 772040020 XTKYGMCJRVXTDN-UHFFFAOYSA-N 478.599 5.003 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(OCc3ccccc3)CC2)c1=S 798219650 MWDGYIHTKJDENL-UHFFFAOYSA-N 455.027 5.559 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1c(C)cccc1C 799211565 RUMGFNOANXBFNW-QGZVFWFLSA-N 460.386 5.204 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(F)c(Cl)c1 799215903 XLDCZDFZYOOUDN-LJQANCHMSA-N 494.375 5.043 30 20 JKED O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1cc(Br)ccc1OCc1ccccn1 818220665 ISVDCHBABUQZBV-UHFFFAOYSA-N 486.325 5.206 30 20 JKED COc1ccc(-c2nc(S[C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)nc(O)c2C#N)cc1 824935174 BAYKFFRVSAJHPD-DEOSSOPVSA-N 482.565 5.510 30 20 JKED N#Cc1ccccc1Sc1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1 856573034 HMZUCQAWBJWIGG-NRFANRHFSA-N 458.587 5.656 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc(C)c3)C2=O)cc1OC 912771841 UQBIJTRYFYWAHI-XMMPIXPASA-N 489.597 5.173 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694541 NKKBZIRCJDMBOT-AOMKIAJQSA-N 481.549 5.019 30 20 JKED C=CCOc1ccc(/C=C\C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC 914744364 UIHDGTICLFGBOB-JFOCPDPESA-N 451.407 5.299 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104698 JEGDSIXAEYJTEW-SJLPKXTDSA-N 487.503 5.195 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 915571430 NEDBBFQXCWHJMG-UHFFFAOYSA-N 499.951 5.205 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1 916206162 XDSXDBCSJQUMJU-GOSISDBHSA-N 460.397 5.210 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCc2ccccc2)C1=O 916208484 HNOAPLMVYZKIPM-QHCPKHFHSA-N 477.561 5.037 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CC2)C1=O)Nc1ccc(F)cc1F 916217313 KHPPJDLTZUMHJB-KRWDZBQOSA-N 469.435 5.106 30 20 JKED N#C[C@@H](C(=O)CCCCc1ccc(Br)cc1)C(=O)Nc1ccc(SC(F)F)cc1 916886008 BQGUDJHWZTVCLG-SFHVURJKSA-N 481.362 5.824 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 916900911 UUBIUHXPJSPSLA-QGZVFWFLSA-N 493.995 5.304 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 916901710 NXOSLPQGSPFOOQ-INIZCTEOSA-N 474.369 5.324 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc(Br)ccc2o1 916909642 QAFFYEBIWFUWCM-SFHVURJKSA-N 475.298 5.949 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn(Cc2ccccc2Cl)c1 916909716 QOOXBJAYBIIJHO-NRFANRHFSA-N 470.916 5.338 30 20 JKED Cc1ccc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 916926975 AWTPMQCSYRXSJW-ZBKLQPJUSA-N 452.135 5.425 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)COc2ccc(Cl)cc2C2CCCCC2)cc1OC 916935056 KYYXTMXEXPUHAY-FQEVSTJZSA-N 470.953 5.131 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1Cl 916939924 VHNDFCQZCOLFPO-OAHLLOKOSA-N 460.342 5.016 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976962 YJYXXBQCWZTFIK-TZIWHRDSSA-N 463.990 5.121 30 20 JKED N#C[C@H](C(=O)CCc1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997546 WDPDNEOCBMDHAJ-LJQANCHMSA-N 467.381 6.112 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2ccnc3cc(Cl)ccc23)cs1 917531188 ABPPAJFSCJQXHX-UHFFFAOYSA-N 456.358 6.129 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(SC(F)F)cc2)s1 917653565 SUTQREZYNGOZKM-KRWDZBQOSA-N 481.615 5.172 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(CC2CC2)CC1 917658933 TZFQAHCKBRGZBH-XMMPIXPASA-N 490.673 5.138 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCCC1 917703074 LJYHXMWWGCMMGO-LJQANCHMSA-N 487.412 5.768 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1CC1CCC1 917707023 ITKSVNRWOSVCON-FQEVSTJZSA-N 497.418 5.081 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)c1 918546635 VEPNSGPGJQWTTO-AZPGRJICSA-N 494.617 5.107 30 20 JKED FC(F)(F)c1ccc(-c2nc(C=Nn3cnnc3SCc3ccc(Cl)cc3)cs2)cc1 918711446 MZOKJSNTLSCHBS-UHFFFAOYSA-N 479.940 6.248 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2csc(COc3ccc(Cl)cc3)n2)cc1 918712033 GIRWHKGSDQAJMF-ZROIWOOFSA-N 491.034 5.302 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2ccc(OCc3ccccc3C#N)cc2)cs1 919148792 PBPYOTRCBSKHAD-UHFFFAOYSA-N 497.576 5.944 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cs1)c1ccc(C)cc1C 919638040 RFVGMDWQBOGCQK-DEOSSOPVSA-N 477.586 5.463 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 919932993 POTZKQFUGCUIIX-UHFFFAOYSA-N 463.309 5.346 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2ccccc2n1C 920103208 QDOXBBADDKSELI-PBHICJAKSA-N 450.951 5.380 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc2cc(C(F)(F)F)ccc2s1 920112910 MIFOIWRICJJGGA-NSHDSACASA-N 483.949 6.572 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920323699 JBDIWVYBXCEJOA-FQEVSTJZSA-N 475.335 5.807 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3cc(C)on3)C2=O)cc1 920355519 NBUAUNPGEIMNLE-HSZRJFAPSA-N 492.601 5.159 30 20 JKED CC#CC[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1CCC(C)(C)CC1)C2)c1ccccc1 1779480936 YHSRFSLWXCWDIC-SWFBWHSRSA-N 492.704 5.304 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1786102739 XXBVNXCVIQTCTD-OYDLWJJNSA-N 493.648 5.287 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)CCC1 1786592773 OFYOQYDBKKXOFQ-UHFFFAOYSA-N 466.544 5.472 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c(C5CC5)c4F)cc3)CCC2)c1 1787168565 OCCPUCXKGGQLNZ-INIZCTEOSA-N 471.536 5.115 30 20 JKED CC(=O)Nc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1 1789178175 ADBJBRFZXFRWKT-FQEVSTJZSA-N 494.595 5.262 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cccc(Cl)c4c3)CCC2)cc1 1789495367 CVKQFCSEPYWOKZ-HSZRJFAPSA-N 477.992 5.209 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5cc(F)ccc5n4)CCC3)cc2)c1Cl 1790083892 PHUWTHVSQGWNLV-UHFFFAOYSA-N 487.922 5.060 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5ccccc5o4)CCC3)cc2)c(C#N)c1 1790473015 IEGCPUCJVATTOL-UHFFFAOYSA-N 479.536 5.303 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1790566926 FIYNBCXOSRIEGF-INIZCTEOSA-N 486.494 5.126 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccc(F)cc4)CCC3)cc2)c(Cl)c1 1790763906 FZVRIUMDDMVUDH-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)cc2)CCC1 1791033378 NDLATFKBWVTHNX-HSZRJFAPSA-N 481.637 5.008 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)CCC2)cc1 1791251873 WQBDVFSIXXEQFW-JBJBFBLISA-N 481.637 5.121 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3C)CCC2)cc1)c1ccc(O)cc1 1791642795 VHRZNMBRSHNKBZ-QHCPKHFHSA-N 481.596 5.349 30 20 JKED COc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)ccc1F 1792124378 VPZDVNHWLNPBPM-GOSISDBHSA-N 471.532 5.523 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@](C)(OC)c1cccc3ccccc13)C2 1798330467 JHTFLXLUGKZRAW-GZVVLECJSA-N 460.618 5.108 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)C2)c1ccccc1 1798553648 PVQGWKATABFBLU-SFIUMABJSA-N 493.047 5.334 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1802375787 HIPKNWARFAPFGY-YKSBVNFPSA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1803116652 HOILFIOFRJEZLQ-OZXSUGGESA-N 465.613 5.242 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C4(C(F)(F)F)N=N4)cc2)C3)c1 1803684413 JXTSUPXDKXQJTR-RWXMBLCBSA-N 495.505 5.060 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccnc3SCC)C2)CC1)c1ccccc1 1804716692 WVUNMTMGNYETOY-XMMPIXPASA-N 489.685 5.236 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccoc2C(F)(F)F)[C@H]1c1cccnc1 1808575519 RIFBMOPZEGDESP-IEBWSBKVSA-N 463.500 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1809104725 FISUTJBMYRSDMQ-PQNGQFLHSA-N 474.630 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)[C@H]1c1cccnc1 1810493019 TXDDNFKUXTVXDX-DVECYGJZSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1810503462 QTZGGKBYFBVRFT-OFNKIYASSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1810504405 YRNDFYVFLCFRGJ-UKILVPOCSA-N 477.649 5.571 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Br)cc(C(C)C)c2)[C@H]1c1cccnc1 1811983655 ORAIKNOBXACYLJ-CJFMBICVSA-N 496.449 5.091 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1c1cccnc1 1812791033 FOLKEVHBKMWNPM-SAZLYLDSSA-N 451.655 5.318 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1812829972 DVZFRHZITYYGBC-REUBFRLUSA-N 459.634 5.222 30 20 JKED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1813042779 LDAHJCWLKDEVFR-WXVUKLJWSA-N 481.706 5.315 30 20 JKED CC#C[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1)c1ccc(O)cc1 1813124106 UMJYPBWMDAJSAA-PPSOTZHWSA-N 489.660 5.207 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CCc2cc(Cl)ccc2Cl)[C@@H]1c1cccnc1 1813228956 HCSHIUYZXBAENH-HFZDXXHNSA-N 486.443 5.221 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)[nH]n2)C1 1814397250 GJSAGKFFMSFFSJ-SFHVURJKSA-N 466.891 5.354 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2SCC)[nH]n1 1814439856 GDJOCSZTSOPACT-LJQANCHMSA-N 455.628 5.215 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(Br)cc2C)n[nH]1 1816618428 CMBVZMVOPDSTEU-GOSISDBHSA-N 488.430 5.174 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)[nH]n1 1819305003 BJLJPHKUCXFORH-NFBKMPQASA-N 460.578 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1819307336 FVCURHIWKHKPAI-PGRDOPGGSA-N 487.629 5.951 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)[nH]n1 1819384612 UKJLJYNWHNNZSA-QUCCMNQESA-N 478.660 5.278 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)[nH]n1 1819553612 MCZKIYKBPQHCIE-QFIPXVFZSA-N 496.562 5.376 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)[nH]n1 1819555558 LVZCWBBWRNVWIX-SFHVURJKSA-N 467.595 5.425 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)[nH]n1 1819555922 JUOIBCYRCYZZMR-QFIPXVFZSA-N 490.604 5.575 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)[nH]n1 1819556601 HFPDTGBRVMPIGN-FQEVSTJZSA-N 458.990 5.370 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4ccoc4c3)[nH]n2)c1Cl 1820220827 CJWGEKLEQFKQCA-HXUWFJFHSA-N 473.920 5.301 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821179162 OXYKFQGVPFKLLN-JOCHJYFZSA-N 461.953 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821277809 JJXNWGWBJLAJJX-HXUWFJFHSA-N 453.974 5.233 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1)c1ccccc1 1821279418 BPRLUCJIMUUCNF-GAJHUEQPSA-N 475.980 5.434 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)[nH]n2)c(Cl)c1 1821279806 IWEWXJFXUUSLAW-MZKRTTBSSA-N 473.964 5.044 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821280137 QGAHGPHCHYXAQS-HXUWFJFHSA-N 465.916 5.002 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1822393049 HIJOYPPMUVKQFY-OAQYLSRUSA-N 478.980 5.334 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)[nH]n1 1822581042 HUJSRAWGZKSTHE-VAVYLYDRSA-N 486.616 5.310 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)[nH]c12 1823214604 GSLPCRBUFJOXTJ-UUOWRZLLSA-N 480.572 5.446 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)[nH]n2)c1 1823215330 QEEDTOGFECAHAY-AUUYWEPGSA-N 484.482 5.003 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occc4c3O)[nH]n2)c1 1823216617 LZEPPSBGRXLROZ-OPAMFIHVSA-N 483.528 5.108 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4cc[nH]n4)cc3)[nH]n2)c1 1823217130 QGOCLYWNOQNPEN-IQGLISFBSA-N 493.571 5.047 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cncc(C(F)(F)F)c3)[nH]n2)c1 1823217567 NEXCXQFTVFSHBV-QVKFZJNVSA-N 496.493 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OCC3CC3)cc2)n[nH]1 1823268831 CZQIGWRLJFEDTC-LADGPHEKSA-N 462.594 5.273 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1824540907 QFUNGRJMORNJHY-GJZUVCINSA-N 493.673 5.411 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cc(C)ccc2C)CC1 1824947654 HAUGJOWVHRIJQX-VWLOTQADSA-N 452.639 5.070 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3coc(C(C)C)n3)CC2)cc1C#N 1825418927 WDFCHOWZJRMTKQ-XMMPIXPASA-N 492.620 5.004 30 20 JKED COc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c[nH]2)c1 1825435948 RFQQVLDHBATFTQ-MUUNZHRXSA-N 496.611 5.109 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1)c1cccs1 1827684224 RTLAQLIBZDBQNN-IPLHWJFFSA-N 494.535 5.032 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827773484 RUVZVRPLMWKZAT-PZJWPPBQSA-N 451.533 5.035 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828154106 HSVBVWJTVAAELD-PZJWPPBQSA-N 462.656 5.228 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828607098 YZJSJQFIRVFVPC-QFIPXVFZSA-N 454.611 5.467 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)COCc2ccc(C)c(C)c2)CC1 1828824552 KZQFCQBNIKYWIT-SVBPBHIXSA-N 466.666 5.208 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1)C(F)(F)F 1829903318 CKQBLYJQCKDFBG-QGZVFWFLSA-N 463.327 5.345 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCn2c(O)nc3ccccc32)CC1 1830142507 BXDNKPNBKWQYNS-XMMPIXPASA-N 494.680 5.134 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)c(C#N)c1 1830288450 KUCKDXHFLZZKGY-MBEZDYHHSA-N 493.692 5.191 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830449962 SQVPLQWSPCXVMV-BDYUSTAISA-N 466.572 5.694 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830707441 ASTBSGVIGJXQIE-AREMUKBSSA-N 462.659 5.788 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720719 FUUPSBFUACGDBP-DEOSSOPVSA-N 454.014 5.213 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830723367 GDCWDCQQEXLJSE-SIBVEZHUSA-N 489.019 5.386 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1830766889 SMGISLQKIGXGQH-RUZDIDTESA-N 481.999 5.135 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)C1 1831058710 GUSHOBICILAHIX-RUZDIDTESA-N 456.586 5.786 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1831852713 ZDZWZOBZFNFCKE-XMMPIXPASA-N 474.686 5.092 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831859349 OMWUFPBRRWFEJD-QPPBQGQZSA-N 468.041 5.437 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832626524 PHQIHNKXLKWYOA-RUZDIDTESA-N 481.999 5.217 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1832629412 PNVXWCYYDLQXAW-AFMDSPMNSA-N 496.026 5.582 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H]4CCC[C@H]5CCCC[C@@H]54)CC3)CC2)c1 1838290790 PIMIRKBWZHODEH-KEKPKEOLSA-N 491.676 5.085 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2c(F)cc(Cl)cc2Cl)C1 1845427807 XAYFWSRZQFGBOQ-UHFFFAOYSA-N 469.460 5.001 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1)=C(/S)Nc1cccc(Br)c1 11084426 JQZCQVNNVFSXTJ-UHFFFAOYSA-O 474.831 6.003 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(O)c1 11257860 LGRHAUBMJQMSTK-UHFFFAOYSA-O 454.015 5.990 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(OC)cc2)nc2scc(-c3cccs3)c2c1=O 11382503 KHWNQRMXGFYPLT-UHFFFAOYSA-N 497.667 5.132 30 20 JKED C=CCn1c(SCc2nc(N)c3c4c(sc3n2)CCCC4)nnc1-c1ccc(F)cc1 18329736 RUKYSNGBXILUON-UHFFFAOYSA-N 452.584 5.028 30 20 JKED COc1ccc([C@H](CNC(=O)CSc2nc(C)cc(C)c2C#N)c2c[nH]c3ccccc23)cc1 19139421 SZWPSFOSFBXRFM-QHCPKHFHSA-N 470.598 5.100 30 20 JKED COCCCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccccc1Cl 21725502 KXCPMQNCJROMJZ-JZGPVCMCSA-N 490.073 5.046 30 20 JKED CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2-c2ccccc2F)cc1 22128583 CRWUKIIVVWWSHM-CRICUBBOSA-N 481.597 5.007 30 20 JKED Cc1ccc(-c2c(C)sc3[nH]c(CSCC(=O)Nc4ccc(C#N)cc4)nc(=O)c23)cc1 23415537 XNYCFKHRSQNWLI-UHFFFAOYSA-N 460.584 5.012 30 20 JKED C=CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1OC 24447231 BGVXLALAPXUJLW-RUZDIDTESA-N 465.571 5.127 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nnc1-c1cccc(C)c1 24967513 OTTIDMASMQQJII-UHFFFAOYSA-N 489.670 6.435 30 20 JKED C[C@@H](OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N 28178352 KYORKUZDTXGVMR-GOSISDBHSA-N 484.943 5.177 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nc2sc3c(c2c1=O)CCCC3 28380840 MMSAULOYEMHLLF-UHFFFAOYSA-N 467.660 5.685 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)n1 32327788 BKMJRSSMVAXYPX-INIZCTEOSA-N 461.431 6.055 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(F)cc1 59795749 JNXJNUZKVVHFNY-UHFFFAOYSA-N 461.360 5.154 30 20 JKED C=CCc1cc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc(OC)c1O 60217525 LQMBIHDEVWYYKR-UHFFFAOYSA-N 464.468 5.068 30 20 JKED COc1ccccc1/C=C(\C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 96481884 ZUIYLQOALUSUHZ-VUSVCRIZSA-N 454.526 5.114 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 108899827 MWCFGSBGYKVLHF-UHFFFAOYSA-N 473.533 5.075 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)c1nc2cc(Cl)ccc2s1 195664286 INVIFYAFYWRZMN-GDBMZVCRSA-N 475.904 5.032 30 20 JKED Cc1ccsc1CN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1ccc(F)c(Cl)c1 216850371 RFZRJCPKYOKGLB-UHFFFAOYSA-N 457.958 5.192 30 20 JKED C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@H](c2ccccc2)O1 303204492 PBWAIHKOJDDHTL-IQGLISFBSA-N 461.949 5.785 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 303331894 JTAQLOUDVWRDBA-CYBMUJFWSA-N 452.458 5.449 30 20 JKED CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1[N+](=O)[O-] 482040034 NZXYRIIVNKCCPF-HSZRJFAPSA-N 473.485 5.072 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(Cl)ccc2I)cc1 487802606 HCMWJMYIKDUSSQ-UHFFFAOYSA-N 478.639 5.021 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(CC#N)c1ccccc1 497351917 DEDSVTWQDFSBGB-MRXNPFEDSA-N 460.584 5.242 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)CCc2cccs2)c1 499624998 HWKLBJLBSUPBFA-UHFFFAOYSA-N 489.062 5.488 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 500750229 AZLUUEYNKIDHLO-IBGZPJMESA-N 459.571 5.666 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 501105344 YFUNWVSAVBOQMS-UHFFFAOYSA-N 459.859 5.133 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3OCc3ccc(Cl)cc3)CC2)c1 501719331 KYMVLAYGFNHJDS-UHFFFAOYSA-N 473.960 5.282 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 508142147 JQOAETCZPLPCAH-UHFFFAOYSA-N 463.541 5.001 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)cc1 508151460 ZQEQYHJPTQXXKO-UHFFFAOYSA-N 462.575 5.045 30 20 JKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508277664 HZEPFYAKJOBUNF-UHFFFAOYSA-N 461.518 5.430 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)cc1 509674342 WCGIGXKHBFHLPD-IBGZPJMESA-N 476.330 5.105 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1 511372997 MJZSGOAHONWYSC-VWLOTQADSA-N 469.520 5.115 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CSc3nc[nH]n3)c2C#N)C(C)(C)C1 513214782 PICYUEIRQDNXGF-PLNGDYQASA-N 467.645 5.617 30 20 JKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 513691664 FUSNOYIRBFPPNW-FQEVSTJZSA-N 478.577 5.769 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 516379128 FSUQSKWJYXKYON-FQEVSTJZSA-N 470.573 5.580 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 517081918 UCCHQTXFRJVJKF-OAQYLSRUSA-N 491.616 6.594 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 519942184 CZTNLOCZUWLADY-UHFFFAOYSA-N 485.475 5.342 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(N2CCCC2=O)c1 519972704 DHCAVAHZCAMKBN-KOSHJBKYSA-N 472.976 6.005 30 20 JKED COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OC1CCCC1 520671415 KIEMTJVTHPBJQE-IBGZPJMESA-N 499.567 5.496 30 20 JKED Cc1cccc(-n2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)nn2)c1 523230664 LGVTZNMRJCCGKB-INIZCTEOSA-N 454.342 5.496 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524422298 INPICLJEIBSAJL-NGOKVRLYSA-N 481.596 5.384 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 524565151 JKNQEIJNYWJZLR-DJJJIMSYSA-N 468.381 5.990 30 20 JKED O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591610242 NQCVUTVLAJRNCV-DVOMOZLQSA-N 495.464 6.099 30 20 JKED Cc1nc(C)c(C#N)c(SCC(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)n1 591947536 QCDMINFDMRKSAP-UHFFFAOYSA-N 459.600 5.209 30 20 JKED Cc1ccc(-n2nc(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c3c2CCC3)c(F)c1 593039826 UWMQXTRTPRHRNJ-BETUJISGSA-N 463.397 5.011 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)s2)c(C(F)(F)F)c1 603897066 QAWMPYFLAXDKNR-UHFFFAOYSA-N 496.470 5.722 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604104251 CCPVWERJCYYJFM-IBGZPJMESA-N 458.537 5.632 30 20 JKED C=CCN(C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc(C(=O)OCC)cs1 604534096 VYLMCUSNCORBLK-UHFFFAOYSA-N 456.951 5.385 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 608936266 YGQPVFIQABRLLR-UHFFFAOYSA-N 498.602 5.503 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 608995538 BTFUSXQMMJPLRB-XMMPIXPASA-N 481.911 5.757 30 20 JKED Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(C)s1 609085755 FSPSWLMUMLXUOQ-OAHLLOKOSA-N 467.978 5.285 30 20 JKED CS(=O)(=O)c1ccc(-c2nc(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)cs2)cc1 609101994 MVGRTVJGYXSUGZ-UHFFFAOYSA-N 493.635 5.521 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 609369286 AFVNHVBFYJNGPR-MRXNPFEDSA-N 460.584 5.015 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609378051 VKOQRDNDXUNRGD-YWZLYKJASA-N 474.424 5.094 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(F)c(Br)c1 609405302 WWBVKOQRDGTGHN-CQSZACIVSA-N 482.309 5.068 30 20 JKED COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3sc4c(c3C#N)CCCC4)C2)c2ccccc12 609563069 LMYBWLZQWIIHDY-KRWDZBQOSA-N 473.598 5.151 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 613350745 OLPJKZGTQJWGJB-UHFFFAOYSA-N 476.907 5.763 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N(CCc1ccccc1F)C1CCCC1 622093073 WGHFVMUHQPEDBP-FVQHAEBGSA-N 468.457 6.232 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)c2)cc1 642281347 BTMJGSKEZDDASM-HSZRJFAPSA-N 487.606 5.434 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccc(C)cc2)cn1 726110912 IEUKHBKYKSPVEE-QFIPXVFZSA-N 496.036 5.334 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726317631 BQXLFPGEBZEJOW-MRXNPFEDSA-N 453.445 5.824 30 20 JKED Cc1nc(/C=C/c2cnc(-c3ccccc3)nc2)sc1C(=O)/C=C\c1cnc(-c2ccccc2)nc1 726847735 GQLVZJDBCOJSJY-PMJBJKLVSA-N 487.588 6.432 30 20 JKED O=C1/C(=C/c2cccnc2Cl)CN(C(=O)c2ccccc2Cl)C/C1=C\c1cccnc1Cl 728698386 IWHMIBHYYFHRRK-JYFOCSDGSA-N 484.770 5.629 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2CCCCC#N)c1 728778833 GAWLJEGBCHZBRP-QFIPXVFZSA-N 499.036 5.565 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(CCCCC#N)C1=O 728779387 ZDIHHEGYYSZLCN-JOCHJYFZSA-N 499.036 5.620 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O 730459693 LYAUKKXSMVNMLQ-HXUWFJFHSA-N 475.973 5.309 30 20 JKED N#C[C@H](C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1nc(-c2ccccc2)cs1 730686249 FKTKJOLITKCDCV-CRAIPNDOSA-N 499.379 5.198 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3cocn3)C2=O)cc1Cl 730728562 AKKYUWVPLSZOTE-SJKFXQMXSA-N 489.022 5.288 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1[C@@H](C)c1cccnc1 730944716 ZHVCZJCXXSYABQ-MHECFPHRSA-N 488.613 5.374 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnc(Cc2ccc(F)cc2)s1 731079065 AWKPYIXEZNDDCD-HNNXBMFYSA-N 469.563 5.063 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 731331612 LHZSMBFPIFGFET-UHFFFAOYSA-N 483.977 5.285 30 20 JKED COc1cc(/C=C/C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1c(C)noc1C 731335478 QNWVSMBJHBOANH-JICACKBISA-N 477.586 5.925 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N([C@@H](C)Cc2ccco2)C1=O 743523740 CEKPJUAJHLKZEF-GAJHUEQPSA-N 495.576 5.327 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)ccc1SC(F)F 746346344 PMJHBLMTIAFLCH-RMKNXTFCSA-N 494.972 6.701 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCOC(C)(C)C)C1=O 746696326 MKHAGFZEWUDFSN-FQEVSTJZSA-N 474.026 5.424 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cscn3)C2=O)cc1 747600879 RIALHXSBBAKXQV-HXUWFJFHSA-N 499.017 5.160 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cscn1 747603296 RSDFSCMVGVCOKJ-QHCPKHFHSA-N 486.622 5.765 30 20 JKED C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1OCC 748583885 KDQVNQLJQHFESQ-BJMVGYQFSA-N 472.335 5.265 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3c(CC)cccc3CC)cs2)cc1 750393066 WMICMMOPFLZTPQ-OAQYLSRUSA-N 461.587 5.685 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 775625486 PCCPUJANVOWYBJ-UHFFFAOYSA-N 450.004 5.989 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1OC 838533492 JIORDTBPERUOER-FQEVSTJZSA-N 475.998 5.118 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)c2C#N)C1 875463941 ZMVOMVBDEMSWBY-ZDUSSCGKSA-N 451.013 5.080 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)NC(C)C)cc1 912836318 PRYRNTSCLPRWAZ-UHFFFAOYSA-O 454.660 5.493 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1 915086863 XQYYAIOMPGNRJT-XUZZJYLKSA-N 478.379 5.892 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1nc(-c2ccc(Cl)cc2)cs1 915101972 PCCKBVWYEYSCPG-OAHLLOKOSA-N 485.015 5.653 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CC2CCC2)C1=O)Nc1ccccc1F 915117039 VYXLEJWMYJGOJG-LJQANCHMSA-N 477.508 5.188 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)cc(Br)c1OCc1ccccc1 916152091 PLGPMIUUQCNMFO-KPKJPENVSA-N 478.342 5.835 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccco3)C2=O)c(OC)c1 916212794 YPHHHVVZAMOPSH-HSZRJFAPSA-N 493.585 5.074 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C[C@H]3CCCO3)C2=O)cc1 916217485 ODGQUXIVAADOBC-WOJBJXKFSA-N 491.535 5.153 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccn2)cc1 916708268 QOQUJICIICFCLY-HHHXNRCGSA-N 478.552 6.250 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 917031021 OALZHXIJWAQXOM-KIWKPZNUSA-N 488.657 5.731 30 20 JKED O=C1/C(=C/c2ccc3ncccc3c2)CC2(C/C1=C\c1ccc3ncccc3c1)C(=O)Nc1ccccc12 917518245 WUDQQFKZIPWHSL-RPCRKUJJSA-N 493.566 6.503 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CCc2ccc(Cl)s2)C1=O 917653134 JCCAMXKYCBLIEJ-CQSZACIVSA-N 490.022 5.027 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 917679521 NMSOKBGRYOVCLM-GOSISDBHSA-N 484.380 5.129 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C#N 917701903 BBKCSYBFRADGKX-FQEVSTJZSA-N 454.983 5.281 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc(-c2ccccc2)cs1 918491511 BEYMZJFZQARVQI-INIZCTEOSA-N 455.992 5.254 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)[C@H](C)c1ccc(C#N)cc1 919863290 XKXMXYZRKRBPSV-CECJQHFESA-N 459.571 5.194 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-])c1ccccn1 920111323 MAVPOJHFTRRCIL-SCLBCKFNSA-N 498.326 5.431 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)n1 920327195 ORLTUQJLWPYOSO-PXNSSMCTSA-N 485.359 5.079 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3CC)N(Cc3cc(C)on3)C2=O)cc1 920356258 OYDNTBLNQLOOEB-QHCPKHFHSA-N 492.601 5.105 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1-c1cccc(F)c1)C2 1779510601 INUHFJVDMBCBOZ-FUFSCUOVSA-N 493.623 5.008 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)NC(=O)CC4)CCC2)cc1 1786104371 PJUQSUYOZDSPOZ-UHFFFAOYSA-N 457.574 5.087 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786179713 BLACYBJBYJONHC-HBGVWJBISA-N 469.532 5.003 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)CCC2)cc1 1787885135 UTVYCBNLAXABQD-UHFFFAOYSA-N 481.478 5.147 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccsc3)cc2)CCC1 1788184641 AATFPOZSTFDLRZ-JOCHJYFZSA-N 497.661 5.284 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cnccc3C(F)(F)F)CCC2)cc1 1788649353 JGNLTGJDRZOUSP-CMDGGOBGSA-N 499.514 5.349 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5cnccc45)cc3)CCC2)c(Cl)c1 1789392033 KQCVGQQNHOYMCO-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)CCC2)cc1 1789455207 NVYMZJHLNKCUDE-TUACAJSNSA-N 495.664 5.534 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4Cl)cc3)CCC2)c1Cl 1789679572 HSKVMRYLECCZBY-UHFFFAOYSA-N 465.340 5.322 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cc5ccccc5o4)CCC3)cc2)c1 1790073041 IBODPLUKGKLSHU-VAWYXSNFSA-N 491.547 5.774 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)c1 1790255922 DSUKOELXFGMCMJ-UHFFFAOYSA-N 464.447 5.034 30 20 JKED COc1cc(OC)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1790278369 QUVNCAOFQVAODO-LJQANCHMSA-N 483.568 5.392 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)C4CCC(F)(F)CC4)CCC3)cc2)ccc1F 1790521689 VWMUROFKBOLTPZ-UHFFFAOYSA-N 469.507 5.199 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)F)no4)CCC3)cc2)c(Cl)c1 1790767024 KMZQDCBALXJWBF-UHFFFAOYSA-N 470.863 5.199 30 20 JKED COc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785345 ILUJSPPTKAOYAI-UHFFFAOYSA-N 494.473 5.042 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cc6cc(F)ccc6[nH]5)CCC4)cc3)c2c1 1790834978 AEAQCGZANLOIQZ-UHFFFAOYSA-N 492.514 5.116 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(N(C)C)cc4)cc3)CCC2)c1 1791745585 URMIPRXDIOXXBL-UHFFFAOYSA-N 496.611 5.013 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](C)n3cccc3)cc2)CCC1)NC(=O)OC(C)(C)C 1791792320 YOQGFILRMOJUCS-NZQKXSOJSA-N 494.636 5.043 30 20 JKED Cc1ccc(CSCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C#N)cc2Cl)cc1 1800691004 FLTRGXFMEFMOSF-KOUNCHBCSA-N 482.049 5.095 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1802374257 WMHKFXFJKRRUBV-RDPSFJRHSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1802438067 REXXIQKRXPNFKE-NJPOHOMDSA-N 451.636 5.245 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1802503473 PEFCSPWILBBQQG-SHQCIBLASA-N 482.628 5.456 30 20 JKED O=C(CCC1CCC1)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1803378219 UGNJDXOCGTZJSA-IGYGKHONSA-N 491.635 5.381 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCCCCC(=O)OC(C)(C)C)C3)c1 1803683926 CDYLXXHNQDMGHZ-ZBCONREDSA-N 495.664 5.248 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nc(C)sc23)[C@H]1c1cccnc1 1809106244 NUGWUSARXPHHGR-NZQKXSOJSA-N 476.646 5.312 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1809278402 MZJWCFGHENYKDB-AZSVPQILSA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)[C@H]1c1cccnc1 1810178686 SHMJFAUJTSRGKO-REUBFRLUSA-N 459.634 5.105 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4cccc(F)c4s3)[C@H]2c2cccnc2)cc1 1811359774 NRDHVFMRDQPXRI-RDGATRHJSA-N 498.583 5.135 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(CC(C)C)cc3)[C@@H]2c2cccnc2)c1 1811939365 IJRVSDSFDPGWBL-IXCJQBJRSA-N 480.612 5.094 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)[C@H]2c2cccnc2)c1 1811944006 JTBQPDAZKKHMMR-IBVKSMDESA-N 497.986 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC)cc2Cl)[C@H]1c1cccnc1 1813903765 WGHAGJLAPDIKGG-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)[nH]n1 1814413717 SGFKYJWAVAGPKN-PFSBYRDKSA-N 459.575 5.061 30 20 JKED Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1815563095 DTCVVJXLYBVUCQ-CPJSRVTESA-N 469.589 5.284 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1815656837 IHOCKCJNVRTZIG-FQEVSTJZSA-N 492.686 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2)n[nH]1 1818226261 KHJSERPDLRPEDW-DEOSSOPVSA-N 469.589 5.546 30 20 JKED Cc1ncc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)s1 1818408906 LDDUNZWYNHLGLX-DEOSSOPVSA-N 495.608 5.194 30 20 JKED Cc1nc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)ccc2s1 1818702408 AVQAQXBNPTVFIR-QMHKHESXSA-N 498.612 5.575 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(Br)cc23)n[nH]1 1818934127 CLHKEAQWCCINIM-VFNWGFHPSA-N 498.425 5.101 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)n[nH]2)c1Cl 1818993477 NCEVVRIRIPJRMH-NRFANRHFSA-N 490.926 5.175 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)[nH]n1 1819553609 MCZKIYKBPQHCIE-JOCHJYFZSA-N 496.562 5.376 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)[nH]n1 1819555068 XWIGPQNVWVBLRE-JOCHJYFZSA-N 463.582 5.198 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)n[nH]2)C1 1820080279 NIMVLNPTDDCQEJ-RUZDIDTESA-N 479.584 5.602 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1820207438 LTPHNWFXSHVJBS-GTCGAKFVSA-N 495.539 5.055 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)[nH]n2)cc1 1820549611 NBDQNUAFUQMAEW-HXUWFJFHSA-N 473.533 5.255 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3F)[nH]n2)cc1 1820554162 TWEBHLSYQKWRNW-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821280459 SRMMYQHIQOZCLJ-WAIKUNEKSA-N 486.963 5.182 30 20 JKED CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)CCCCC1 1821280492 VQSVHTXAFDDFMK-FQEVSTJZSA-N 453.974 5.211 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(C)noc3-c3ccccc3)[nH]n2)c1 1821323864 DBLSKVRVTYRDDJ-QHCPKHFHSA-N 494.555 5.173 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4sc(C)nc4c3)[nH]n2)c1 1821325350 VGQYNDSCWZHSMH-QFIPXVFZSA-N 484.585 5.128 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1 1821860159 IUQGMPPSTBFMQN-MGPUTAFESA-N 494.423 5.142 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)[nH]n1 1821925025 LBYZLMRPODKSMJ-LAUBAEHRSA-N 492.542 5.649 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1)C(F)(F)F 1821995511 VHSLFGCRVAHXFI-INIZCTEOSA-N 474.405 5.161 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(Cl)cncc3Cl)[nH]n2)c1 1823211940 CZQKRNNDSRORRK-JLTOFOAXSA-N 497.386 5.358 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C1 1823702857 ARHDUEXDVVQKKO-NRFANRHFSA-N 467.591 5.009 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)oc2ccccc12 1824052889 XZVOOBCIUPAOTO-AREMUKBSSA-N 483.612 5.479 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)CC1 1824145261 FIHIJANTICURJE-VWLOTQADSA-N 465.613 5.169 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)CC1)c1cccs1 1824823575 NYOQYBSIOPIBAK-PYEUUQPJSA-N 498.595 5.098 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1824958230 PAORISOPXKVHQG-QHCPKHFHSA-N 491.657 5.376 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1825188882 MONNBJPJXVSQKK-FCHUYYIVSA-N 477.571 5.031 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825765662 VJYCFUSCXDGMFB-RPBOFIJWSA-N 475.633 5.652 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccccc2)CC1 1826363790 PJCNTGMXEBQKTO-AREMUKBSSA-N 482.741 5.126 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1826691210 OOFXGFPTQMESCN-QHCPKHFHSA-N 482.422 5.139 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)c1 1827334602 OVHRCCCAYRWIOK-RSXGOPAZSA-N 479.690 5.245 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1)C(F)(F)F 1828554072 SUEPBYZZFOGNJK-HNNXBMFYSA-N 456.555 5.315 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1829456408 DGZKILAWMUCMDY-GAJHUEQPSA-N 499.442 5.563 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(c3)c3ccccc3n4CC)CC2)C1 1829695290 MGDYXEFTTPYQAS-HHHXNRCGSA-N 483.656 6.014 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2scnc2CC)CC1)c1ccccc1 1829852632 NWDVOIJUDGLSLF-ZCYQVOJMSA-N 477.674 5.136 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccc(F)c4s3)CC2)c1 1829954798 ODMBBSRQLSYHLZ-HSZRJFAPSA-N 475.589 5.459 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1830416531 UVBWHWYNWJBFJU-NVQXNPDNSA-N 490.648 5.091 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1830449615 AKRAOXYFAAJWPO-VWLOTQADSA-N 479.665 5.261 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830529637 NPVXCMKHEDUXLA-PMACEKPBSA-N 474.564 5.032 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)C1 1830536925 XBVGPRWOYZMBQQ-OAQYLSRUSA-N 468.947 5.558 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCNc3ccc(C)cc3C)CC2)c1 1830769687 VOFKTMBEEVGJSW-MUUNZHRXSA-N 486.660 5.219 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1)C(F)(F)F 1831451488 VMTPJONQXBTKMM-QFIPXVFZSA-N 493.570 5.085 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1)C(F)(F)F 1831453033 JMHOJGNZKPLNMH-DEOSSOPVSA-N 487.566 5.446 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831775651 FTACNPNBNZXIDL-OAQYLSRUSA-N 487.666 5.299 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)CC1 1831849435 VXJWPWXVZJQXGP-VWLOTQADSA-N 481.040 5.075 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Br)c2CC)CC1 1831852628 WYBIXBFCZUTPLU-QHCPKHFHSA-N 473.455 5.048 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1)c1ccc(O)cc1 1831925720 JEKIHLFQNZCDLD-LSYYVWMOSA-N 498.623 5.569 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cccs3)CC2)c1 1832631150 RVIIJOVFHZJABT-PKRWUHDQSA-N 461.631 5.322 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832635725 PYFDKYDWFMXUAF-FQRUVTKNSA-N 461.581 5.308 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3C)CC2)CC1 1836697727 ARWPKVCBQRIYSV-UHFFFAOYSA-N 492.582 5.394 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)N(CC)CC)CC2)CC1 1838424642 SIAFQLCWYKCGLI-HHHXNRCGSA-N 497.724 5.061 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)C(C)(C)Oc2ccc4ccccc4c2)C3)c1 1846830016 IZAYCPPPNHSAAQ-OAQYLSRUSA-N 481.596 5.141 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1846886550 SPNZSUXEHCLMCJ-UHFFFAOYSA-N 492.366 5.133 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C#N)cc1 9033863 PCCFHYLYDGGYNS-UHFFFAOYSA-N 469.998 5.474 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2cccc(O)c2)cc1 10172852 NZXSACIYZQNYLX-UHFFFAOYSA-O 457.522 5.455 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccccc1OC 10242813 DBGSGAPXMMLNPE-QHCPKHFHSA-N 476.627 5.199 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCc2cc(C#N)ccc2F)cc1 10618339 NCHPHHDFSMZXQI-SSDVNMTOSA-N 471.513 5.412 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(CC)cc2)cc1 11251142 TXAJHZQUQYMGFD-UHFFFAOYSA-O 474.027 5.479 30 20 JKED C[C@@H](/N=C(\O)CSc1nnc(COc2ccc(Cl)cc2)n1C)c1cccc2ccccc12 13128577 SUOBKKTVLJYJMD-MRXNPFEDSA-N 466.994 6.011 30 20 JKED N#CCc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 15029451 DSDXQDNATVVMKA-UHFFFAOYSA-N 453.420 5.041 30 20 JKED C[C@@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)Nc1ccc(C#N)c(Cl)c1 15532738 HGMPIIWBMTUQIR-CYBMUJFWSA-N 481.002 5.437 30 20 JKED Cc1nc(COc2ccccc2C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 18802990 WWTZVCYAGQGKGM-OAHLLOKOSA-N 495.626 5.417 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Br)cc2)o1 21765963 PEGKRSGSJDRSKE-CYBMUJFWSA-N 464.410 5.256 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1 22730299 PSYWNKCOXWEWSD-UHFFFAOYSA-O 499.603 6.323 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(C)c2)cc1 22731082 WCVXIFSXNAPLRG-UHFFFAOYSA-O 460.406 6.039 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(C(C)(C)C)cc2)cc1 22801510 JDAURTYCNIPOBV-UHFFFAOYSA-O 488.098 5.766 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2c(C)cccc2C)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23603145 PXJSXXVEFPHTDP-UHFFFAOYSA-O 468.646 6.178 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C2/C(O)=Nc3c(C)cc(C)cc32)c(C)c1 24036128 JXKQOXXLWXCAEY-UHFFFAOYSA-N 493.545 5.047 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)nc2sc(C)c(C)c2c1=O 26035157 ZOSHSOSHLGMNNI-UHFFFAOYSA-N 482.612 5.111 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)nnc1-c1ccoc1C 27129203 FGRHNDCOTSNZSS-UHFFFAOYSA-N 451.379 5.090 30 20 JKED CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(/C=C\C(=O)c3cccc(NC(C)=O)c3)cc2)c1 33388088 RHKBJYAGDNAXPQ-VMNXYWKNSA-N 452.510 5.396 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 115193276 PPBSPHRFZBWYSH-INIZCTEOSA-N 481.668 5.550 30 20 JKED CCOC(=O)CSCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 206739486 FSXLQWWTBAIZNB-CLFYSBASSA-N 470.616 5.534 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 303086776 BSVKVRRERHDTKT-UHFFFAOYSA-N 460.578 5.248 30 20 JKED Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4cccc(Oc5ccc(C#N)cc5)c4)CC3)n2)cc1 303126775 ALBHFWSZNUQXEY-NRFANRHFSA-N 493.567 5.228 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCNC(=O)c3ccc(F)cc3)cc2Cl)c1 303224692 VXQQYBLKRKPFHC-UHFFFAOYSA-N 465.912 5.078 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 409497345 BEQMODKENDKJEX-UHFFFAOYSA-N 481.940 5.135 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2c(F)cc(F)cc2F)nc2sc3c(c2c1=O)CCCC3 476707260 OXMSSQZANSXPBD-NSHDSACASA-N 464.534 5.304 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ncc(Cc5ccc(C#N)cc5)s4)nc(O)c23)C1 487320075 LKHOSULMGUNUSG-AWEZNQCLSA-N 489.626 5.012 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 492179928 FCPYVMYVGJNKFL-UHFFFAOYSA-N 460.986 6.098 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(Oc2ccc(F)cc2F)CC1 501650827 QDPMRDZOERVVST-UHFFFAOYSA-N 453.329 5.686 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc2c(cc1Cl)OCCCO2 502683112 WOIBYUSWJBXGIZ-UHFFFAOYSA-N 469.738 5.623 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(Oc3ccccc3)nc2)cc1C 503800341 PLMXIXNLHMMMMD-UHFFFAOYSA-N 451.530 5.198 30 20 JKED CC[C@@H](C)n1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1 504315914 YFDLBFGRUKCVND-QZTJIDSGSA-N 451.571 5.483 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3C)C2)c1 504919410 NNMRKBZMCXGYNR-QFIPXVFZSA-N 495.044 5.659 30 20 JKED COCc1c(Br)cccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 505371388 VGXDYHCXBDIWCH-UHFFFAOYSA-N 451.320 5.298 30 20 JKED COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c1 509229089 YVMZRPHROAMRDI-OAQYLSRUSA-N 470.573 5.578 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 510241474 NLHGBJXVQFILCO-UHFFFAOYSA-N 494.477 5.304 30 20 JKED Cc1cccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)N2CCOCC2)c1 510734934 WGKFWRDKXRXULI-MHZLTWQESA-N 470.573 5.162 30 20 JKED Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2)cs1 511034795 VDNGDMGIKGOIOI-LBPRGKRZSA-N 451.495 5.049 30 20 JKED CCOC(=O)c1c(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)sc2ccccc12 512345173 BQSHJLONUKTUAN-UHFFFAOYSA-N 490.541 5.053 30 20 JKED CCN(C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12)[C@@H](C)c1ccc(C#N)cc1 512797867 REDOYALWKXCYMV-FQEVSTJZSA-N 481.596 6.266 30 20 JKED Cc1sc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1[N+](=O)[O-] 514115585 BSHQKDVPCXGCCQ-UHFFFAOYSA-N 452.439 5.155 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 514320193 NCYLBPUEGSXNPU-UHFFFAOYSA-N 495.583 5.373 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc(Cl)cc1 514357435 MUQKDOXURMIIQM-YJBOKZPZSA-N 459.040 5.690 30 20 JKED C=CCN(Cc1cccs1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 514463074 LTMPONWQONOURU-UHFFFAOYSA-N 459.365 5.113 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)n2)cc1 517800804 JRVHKKUKGPNANC-OAHLLOKOSA-N 484.364 6.579 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cccs2)c1)c1nc(-c2c(F)cccc2F)cs1 518871159 XVIBRAQLBALWPT-KRWDZBQOSA-N 452.507 6.219 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cc2)c1 519508052 MXKDPEMTFANDCL-UHFFFAOYSA-N 493.485 5.860 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 520178095 IFIQVGAYAQVTPN-AWEZNQCLSA-N 456.395 5.025 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(COCC(F)(F)C(F)F)c3)CC2)c1 520586461 YWGGGRUROPDXFQ-UHFFFAOYSA-N 465.447 5.051 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1SC[C@@H](C)C#N)O[C@H](C)C2 520854184 FXGZMVOLWPARJO-HPNQWNLUSA-N 451.592 5.338 30 20 JKED C=CCn1c(SCC(=O)NCCc2ccc3ccccc3n2)nnc1-c1ccc(Cl)cc1Cl 520961938 MTEAUKFYFVCBSQ-UHFFFAOYSA-N 498.439 5.437 30 20 JKED Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 521733649 YIKVIQMBOJGGBI-HSZRJFAPSA-N 459.977 5.336 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 524141840 WSPBLQIBGOLZIH-SFHVURJKSA-N 477.561 5.284 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3CN3CCc4ccccc43)CC2)c1 524661310 WGVVZDSSADWSOA-UHFFFAOYSA-N 452.558 5.196 30 20 JKED CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(=O)Nc1c(Cl)cccc1Cl 557575760 BRESTAWXKJLRBC-CQSZACIVSA-N 493.460 5.341 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 563680415 SNAFPVFJUMZNOS-AREMUKBSSA-N 471.557 5.832 30 20 JKED C=CCN(C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596104278 YTNPDEQZJDJRDJ-FQEVSTJZSA-N 491.555 5.077 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cc2)cc1 603758736 DEMOJGRWFHBLCF-UHFFFAOYSA-N 488.487 5.034 30 20 JKED CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 603828997 KAJFHBOZRDVCFQ-XMMPIXPASA-N 472.976 5.552 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1Cl 603829022 OWFSSJVVVDYQCY-UGKGYDQZSA-N 470.960 6.548 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)s2)cc1 603829315 GWYCOONSTHKPKJ-QGZVFWFLSA-N 492.655 5.723 30 20 JKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 603993472 XUJDBVCQRMPWJK-LJQANCHMSA-N 455.583 5.976 30 20 JKED C[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604046421 GTDRHFAFGHDICK-JKSUJKDBSA-N 464.928 5.281 30 20 JKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604147234 SAAIOXKKJICOIB-QFIPXVFZSA-N 473.985 5.807 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604523933 OEMDTJBLGRCTHK-HSZRJFAPSA-N 477.973 5.325 30 20 JKED CCCCc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)n2)cc1 604525229 SPFRYIXFFGNNKG-UHFFFAOYSA-N 467.616 5.482 30 20 JKED CCC(CC)(CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Cl)cc1 608798650 YIGARGIUYBCOJQ-UHFFFAOYSA-N 476.964 5.212 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cccc(CSc3ccc(C)cc3C)c2)cc(OC)c1OC 609006490 LMHUKHVFIKIGFC-QFIPXVFZSA-N 476.598 5.616 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609063277 VFYRRCOABHZDDZ-XMMPIXPASA-N 479.939 5.323 30 20 JKED CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609079017 XDZBMUDOKDXWJE-HSZRJFAPSA-N 457.530 5.140 30 20 JKED Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609199729 VLOLSWXDESUWDU-UHFFFAOYSA-N 457.578 5.425 30 20 JKED COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1 609370963 NHBDGICEYWLBPW-AWEZNQCLSA-N 471.633 5.415 30 20 JKED COc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 609371009 RBQVDLSNBGFDMJ-AWEZNQCLSA-N 471.633 5.273 30 20 JKED C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 609376843 KLSPUUDVRDVPQX-MOPGFXCFSA-N 491.638 5.331 30 20 JKED C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)S(=O)(=O)c1ccc(F)cc1 609378661 XTXOWOCSCOWKER-CYBMUJFWSA-N 474.501 5.041 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)c1 609382992 ZGSFSUUXCCCYFE-GOSISDBHSA-N 479.627 5.608 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 609413836 MDGWPXDTUYVAQR-UHFFFAOYSA-N 455.967 5.264 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 609430268 IRMVMILDJMLQMC-MRXNPFEDSA-N 486.018 5.787 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 613392477 SGQIADIWARLIMD-QGZVFWFLSA-N 477.998 6.576 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nc2ccccc21 614507658 ODDZEENDLJLONF-UHFFFAOYSA-N 455.008 6.309 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 616261783 HZYAPEUJMNEIKN-QGZVFWFLSA-N 490.400 5.769 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)c2nccs2)cc1OCC 622019595 XRELJZFZTWCODJ-HXUWFJFHSA-N 459.409 5.748 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(OCc2ccccn2)c1 623649267 GZLXWDQMEWQGHH-UHFFFAOYSA-N 484.369 5.460 30 20 JKED C=CCn1c(SCC(=O)NC[C@@H](c2ccsc2)N(C)C)nnc1-c1ccc(Cl)cc1Cl 642063552 JWCPCPPRSREJDN-SFHVURJKSA-N 496.489 5.011 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)c(C)c1 642668891 XRXAAKYZKPVOJO-UHFFFAOYSA-N 454.530 5.489 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643049481 JDODTRKESCXPPL-RKDXNWHRSA-N 484.746 5.323 30 20 JKED COc1cc(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)cc(OC)c1OC 725837325 DAAHFEZEBPIODY-UHFFFAOYSA-N 452.511 5.359 30 20 JKED O=C(Nc1cccc(Cl)c1SC(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 726078902 MOZQWOWUQVGKFY-YUMQZZPRSA-N 456.786 6.249 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\CCc3ccccn3)N(Cc3sccc3C)C2=O)c1 726111212 SIFHOTAOOSAFIU-UGSMRDLSSA-N 492.670 5.140 30 20 JKED C[C@H](Sc1ncccc1C(=O)OCc1ccc(-c2ccccc2C#N)cc1)C(=O)N1CCCC1 726224163 PEFBKYKSEAQWBA-IBGZPJMESA-N 471.582 5.080 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1cccs1)c1cccs1 726421215 ONJSHGVONSOKHU-GAVKIAHZSA-N 487.647 5.581 30 20 JKED O=C(Nc1cccc(SC(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 727344309 GLFHCEHMZPRDIO-UHFFFAOYSA-N 481.368 6.477 30 20 JKED CCN(Cc1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1)C(=O)C(F)(F)F 727806043 GUTDTYTUUSRZDE-UHFFFAOYSA-N 497.542 6.014 30 20 JKED C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)NCc1ccc(OCC#N)cc1 727942508 OALJLAPUZIBKQS-WZONZLPQSA-N 484.987 6.142 30 20 JKED Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 728172494 XFGMNYMGLCWJKF-UHFFFAOYSA-N 460.839 5.294 30 20 JKED Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 728187877 BOMDBCWNIDBIKO-XMMPIXPASA-N 469.928 6.402 30 20 JKED COc1cccc([C@H](C#N)NC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)c1OC 729432418 HVOAZUAJFBIMQF-IBGZPJMESA-N 495.366 5.408 30 20 JKED N#C[C@@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 730686898 KIFRPUGFRSPXRU-HNNXBMFYSA-N 458.395 6.536 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1cc(Cl)cc(Cl)c1 730688205 UKTGDKQQYNKQKM-CQSZACIVSA-N 452.750 5.537 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944505 XJARNMHYADSRDB-FDDCHVKYSA-N 476.577 5.559 30 20 JKED CCOc1ccc(N2C(=O)/C(=C/Nc3ccccc3SCCC#N)c3ccccc3C2=O)cc1 730996817 WOJYDBPKRUOJBL-PTGBLXJZSA-N 469.566 5.731 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731070244 ONKNFGIVABZIQP-AWEZNQCLSA-N 486.018 5.819 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1ccc(Br)cc1F 731079475 WDEPNASHHUTBMN-CQSZACIVSA-N 479.371 5.097 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CCc1nc2cc(Cl)ccc2s1 731080210 ZQPKRZHHAQCZGS-CQSZACIVSA-N 474.007 5.458 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1c[nH]c2ccccc12 731311119 WWZFHEMNYYVFKF-RUZDIDTESA-N 498.608 5.385 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 745947448 YQNSGWKPAMWUBD-MSUUIHNZSA-N 473.598 5.269 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CSc3cccc[n+]3[O-])c2C#N)C(C)(C)C1 754802320 RJEJPXIRJSGODK-FPLPWBNLSA-N 493.679 6.132 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCc2nnc(-c3ccccc3Cl)o2)cc1 779187896 WQUVVIXUQKRTIO-UHFFFAOYSA-N 461.930 5.911 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C)c(F)c1 799222543 BCYKJSLOKJDBQY-GOSISDBHSA-N 477.533 5.042 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1F 838234429 CGHLVYOFFJFSLM-HXUWFJFHSA-N 471.554 5.495 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1F 838556777 YSPGECAZWWSEQJ-IBGZPJMESA-N 481.952 5.005 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 904422352 DSUAWDYHKIHORN-UHFFFAOYSA-N 493.523 5.819 30 20 JKED Cc1cc(Sc2nnc(-c3ccncc3)n2Cc2ccccc2)n2c(nc3ccccc32)c1C#N 914571163 ZPJVHAVENHAAEU-UHFFFAOYSA-N 473.565 5.521 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103829 GIJPHAZQAOPWJQ-JKSUJKDBSA-N 477.533 5.043 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 916073729 GDNHFKMOZBWTKG-UHFFFAOYSA-N 461.884 5.344 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1C 916207768 KYEQUDVHWUQYKP-IBGZPJMESA-N 461.509 5.469 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(F)F)cc3)N(Cc3ccco3)C2=O)cc1 916211295 LYTZKZAYMQECCU-HXUWFJFHSA-N 485.512 5.350 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C)cc1OC 916216058 OGCSZDONIPVVGJ-DEOSSOPVSA-N 489.597 5.173 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccco3)C2=O)cc1 916217623 RTDYHMXBUCPKJD-JOCHJYFZSA-N 475.570 5.260 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976501 PTMCEWIURUGRBF-OAQYLSRUSA-N 464.953 5.824 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 916977095 JKFLFIDZOKTOIO-KRWDZBQOSA-N 452.919 5.074 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996123 KSTCCWCPIVAPQR-KRWDZBQOSA-N 497.407 6.351 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C(=C/c1ccc(F)cc1)c1cccs1 917507263 SWBUOSCNHUDFAG-GQEMFKIVSA-N 464.518 5.141 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917678764 IQCCJMUTVKVCBQ-IBGZPJMESA-N 473.982 5.701 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)(C)C)CC2)cc1 917682473 IUBZXOQGPVILLI-HSZRJFAPSA-N 478.662 5.218 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CC1(c2ccccc2)CC1 917704046 RBEMMPLFQRFHMR-XMMPIXPASA-N 498.583 5.389 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917704427 UWRPVAWXKHQQIM-WZONZLPQSA-N 472.570 5.133 30 20 JKED CC(C)c1ccccc1N=C1SCCCN1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 920091671 LMLNBPKQHHQVNQ-UHFFFAOYSA-N 485.600 5.594 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 920106595 UCKQJSLPLYURBE-DEOSSOPVSA-N 490.515 5.676 30 20 JKED O=[N+]([O-])c1cc(C=NOCc2coc(-c3ccc(Br)cc3)n2)ccc1N1CCCC1 920486281 WSTXFXSLVNVBGM-UHFFFAOYSA-N 471.311 5.163 30 20 JKED COc1ccc(OCc2ccccn2)c(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1 921256360 QZALJGDLCFVIGJ-UHFFFAOYSA-N 465.966 5.089 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)CCOc4ccc(C)cc4)cc3)CCC2)c(C#N)c1 1785968770 JHJWFUCGEHEJSB-UHFFFAOYSA-N 497.595 5.021 30 20 JKED COc1ccccc1CCC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1786240080 RBDZIEPYICIYGD-UHFFFAOYSA-N 471.532 5.086 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](S)C(C)C)cc3)CCC2)c(Cl)c1OC 1786389851 QYWNJCXNVPFHIA-OAQYLSRUSA-N 477.026 5.059 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(C(C)=O)cc3)CCC2)cc1 1786676345 IVACTRJPNKTPPR-UHFFFAOYSA-N 480.630 5.102 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)c(O)n1 1787173196 YFLFGQIXSWKXDP-UHFFFAOYSA-N 492.579 5.516 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)cc1Cl 1787888865 JTUOHJAAYIQZAE-UHFFFAOYSA-N 474.388 5.832 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)cc2)CCC1 1789219106 SBCLCZOAHSTNRB-LJQANCHMSA-N 467.573 5.289 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1789513088 OSBFFLSHBDBSAW-OGLMXYFKSA-N 477.996 5.041 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4ccccn34)CCC2)cc1)c1ccccc1 1789601014 XMYCEXOSCQWRCI-AREMUKBSSA-N 490.607 5.588 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CCC1 1790219289 MEBRYQYBWWSTRX-NRFANRHFSA-N 499.558 5.182 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc1 1790692747 WSDXMJHZTFKURM-UHFFFAOYSA-N 477.568 5.355 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc5cc[nH]c45)CCC3)cc2)c1 1790764111 VAKZWJNAAXCKHU-UHFFFAOYSA-N 452.489 5.240 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4[nH]cnc4-c4cccnc4)CCC3)cc2)c(Cl)c1 1790767899 PJKZOIHJQQNZGJ-UHFFFAOYSA-N 496.958 5.058 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](O)c4ccccc4)CCC3)cc2)cc(C(F)(F)F)c1 1790785164 QSVKATJSHMINCZ-QHCPKHFHSA-N 493.485 5.058 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5c(F)cccc5n4)cc3)CCC2)c1 1790918362 MGSCOQBNHHYOGS-SFHVURJKSA-N 481.531 5.162 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)CCc4cnc5[nH]ccc5c4)cc3)CCC2)c1 1791489126 BAEPTTFXMUJLBO-UHFFFAOYSA-N 491.595 5.134 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3cc(F)ccn3)CCC2)cc1)c1ccc(O)cc1 1791641642 ADOBQULUUPERPH-QFIPXVFZSA-N 499.586 5.190 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4onc5ccccc45)CCC3)cc2)cc1C#N 1792168883 KPUXYWRJPIFAPB-UHFFFAOYSA-N 494.551 5.548 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)cc2)CCC1 1792204403 RINLGZDDYZGTQA-UHFFFAOYSA-N 457.615 5.172 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccccc2Cl)cc(C(F)(F)F)c1 1795739598 OXYCTUBCIRJPQI-WKCHPHFGSA-N 489.925 5.115 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ccccc3c2Cl)c1Cl 1797463471 YFYWSVWJLFXEHU-MUJYYYPQSA-N 484.408 5.645 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c3ccccc3n3ccsc23)c1 1799131941 LQODQIIYNHEHNE-MVWVFHAYSA-N 482.609 5.347 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2C(C)(C)C)[C@@H]1c1cccnc1 1802503694 RUPRSSCDYXKHAR-FYYLOGMGSA-N 462.638 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 1804620300 MJDBUVMPHKIEOX-QBMQIYCRSA-N 489.701 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1806591163 HZGIOWRFQNXDKV-RDGATRHJSA-N 485.550 5.117 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807846157 UQAFCFQYJRRNMF-GGXMVOPNSA-N 494.639 5.540 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)cc1 1808419691 UUAJVYRXPMUCDD-QPGRZUOQSA-N 487.625 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)no2)[C@H]1c1cccnc1 1810863973 NTQIHTYYRLMGQC-RCZVLFRGSA-N 472.589 5.049 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1 1811420436 OSWUSHZVXCIMBP-JYFHCDHNSA-N 487.003 5.363 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cccc2Cl)[C@@H]1c1cccnc1 1811708268 KYRDDDMNEROURS-GCJKJVERSA-N 457.977 5.186 30 20 JKED CC(C)C1(C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CCC1 1811875022 DDDZUKFGKPKUIL-NFBKMPQASA-N 498.549 5.118 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1812368746 NYFNLZPYQRIDTI-XUZZJYLKSA-N 482.694 5.583 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1813869421 GLKJDBPUQLQPJI-HZXNDUOTSA-N 498.602 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2OC)[C@H]1c1cccnc1 1813907287 ANNHYMLZYNIQIZ-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1813958194 BGJJCYBNEVJMJB-BVAGGSTKSA-N 488.632 5.052 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1F 1814587847 KGWDIXVDHVQEBM-HXUWFJFHSA-N 465.916 5.002 30 20 JKED Cc1csc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1 1815896709 YRYXXCVAGKGZBT-HXUWFJFHSA-N 482.009 5.243 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C(F)(F)F)cn2)n[nH]1 1815905042 LCYYZDLYLZFKIE-FQEVSTJZSA-N 491.558 5.441 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnn(C(C)(C)C)c2Cl)n[nH]1 1816198197 QHYPEQCVDGXLKH-QFBILLFUSA-N 473.021 5.089 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)n[nH]2)c1 1816283258 QOKZVQUNVKNOAX-YWZLYKJASA-N 496.493 5.070 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(F)c3)n[nH]2)cc(C(F)(F)F)c1 1820490594 BMFXSHCSAQCUKA-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4c3oc3ccccc34)n[nH]2)C1 1821609433 DQCMCYHMDJGVNB-QFIPXVFZSA-N 454.530 5.581 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(Cl)ccc2OC)n[nH]1 1821845664 RLSGQDXXNPGSGZ-TZIWHRDSSA-N 471.001 5.075 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1822580850 CFOIQDOALOATEI-NRFANRHFSA-N 471.001 5.350 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1822581697 QADKNYLXGVQAHE-FQEVSTJZSA-N 461.591 5.033 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1822584398 NBPMAOLREPMSGP-IBGZPJMESA-N 452.555 5.263 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1822584468 QSYMNCCEMYRNMH-NRFANRHFSA-N 463.969 5.111 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)c1Cl 1823183907 OCWJXRIVKUFSPR-HXUWFJFHSA-N 465.916 5.002 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)n[nH]2)cc1 1823299270 KMHLVAABKUREGK-HXUWFJFHSA-N 485.441 5.059 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)COc4ccccc4C#N)n[nH]3)sc2c1 1823388593 VYCSOWZSLXTPIW-NRFANRHFSA-N 499.596 5.189 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(C)ccc23)n[nH]1)C(F)(F)F 1823566077 PVXBJUKEACPABY-JCOOBLOPSA-N 471.483 5.023 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cn1 1823651151 NILRTNZWAYKFEZ-SANMLTNESA-N 486.660 5.117 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1823752020 HZORQAOAQNLOJB-QHCPKHFHSA-N 467.679 5.830 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1823886763 OGHVIMFOACNEGM-ZJSXRUAMSA-N 495.067 5.411 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 1824139299 JSQJUOWQKOVINW-OYUWMTPXSA-N 464.650 5.187 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1824510161 LBYPYIWXXNYFRU-JTSKRJEESA-N 467.437 5.126 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824828048 WABOHLUXULVDKI-HRTMPFAESA-N 454.577 5.168 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C)c2F)CC1 1824959098 RFZOBNOASIJFBE-HXUWFJFHSA-N 497.474 5.049 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1825947731 UGHRTSISSTYYGY-SANMLTNESA-N 489.660 5.623 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc3c1oc1ccccc13)CC2 1826044664 AOCIZVZKLTWZEB-INIZCTEOSA-N 457.555 5.072 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1826315793 YWSXYHMNFZTFKU-WEOAWCGQSA-N 478.658 5.301 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)n1 1827680244 NKXNSORNXFENEB-IBDYFIJFSA-N 485.675 5.000 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccoc2C(F)(F)F)CC1)c1cccs1 1827684220 RTLAQLIBZDBQNN-DKFQHHCZSA-N 494.535 5.032 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1827732656 HTWNQEJBSVCDHU-ZJSXRUAMSA-N 489.081 5.788 30 20 JKED CCc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc(C)n1 1827926461 JRXHEMHQJMGXNS-DEOSSOPVSA-N 479.024 5.025 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828547586 XNGSGGGSZCDISM-QFIPXVFZSA-N 491.682 5.701 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)cc12 1828574909 FGZRPOSHFBUXPT-NDEPHWFRSA-N 482.628 5.214 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)CC2)c1 1828713204 FKBYMKRXEJJQDY-KOSHJBKYSA-N 474.630 5.404 30 20 JKED C[C@@H](Nc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906234 BANDOWGGCAYFAK-ZEQKJWHPSA-N 481.757 5.158 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccn2)CC1 1828906557 UBIQPGDAQBKRSG-HSZRJFAPSA-N 474.121 5.019 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c(C)noc2C)CC1)c1ccccc1 1829029844 GRSOZMQOJZYRDX-NSOVKSMOSA-N 489.660 5.041 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1)c1ccccc1 1829032071 IXFRFDWIAUNCJK-PKTZIBPZSA-N 467.009 5.364 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1830414872 IWWPRIYLXYCNTK-GJZUVCINSA-N 490.648 5.091 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)sc2c1 1830632663 VEBJDZLNUGTYRG-RUZDIDTESA-N 485.653 5.823 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)c(Cl)c1 1830721144 ZBDHIMXRMKQNLC-JOCHJYFZSA-N 477.983 5.270 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)oc3C(F)(F)F)CC2)c1 1830767842 QZTKYDNZAWMSMU-QFIPXVFZSA-N 487.522 5.334 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)c1 1830912107 NBIRRMDFPDNEAH-VWLOTQADSA-N 455.558 5.160 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1831859715 IPRJIMVXBTXBRH-FQEVSTJZSA-N 456.936 5.097 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)CC1 1831860005 HVPANRZMSYZCFZ-HSZRJFAPSA-N 483.653 5.460 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1832932456 JYMQDSPFBICVFT-JRFVFWCSSA-N 491.717 5.100 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)cc1 10173951 NJYVRMXQJQSZNY-UHFFFAOYSA-O 473.662 6.426 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 10174865 IVYTWAYHHDUOSB-UHFFFAOYSA-O 485.698 6.857 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 11263572 FKKMXSAMDMNIEA-UHFFFAOYSA-O 467.605 6.724 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1ccc(N(C)C)cc1 14871865 QFEQORVLINLOSA-UHFFFAOYSA-O 483.455 5.416 30 20 JKED COc1cc(/C=C(\Cl)c2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)ccc1OCC#N 18065274 KHHZHXFGXGQQPC-DHDCSXOGSA-N 469.975 5.669 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)nc2sc(C)c(C)c2c1=O 18352299 PFNZPRSTNUZBID-NRFANRHFSA-N 499.658 5.459 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nnc1-c1ccc(F)cc1 23640123 DFXLDNBTWNFYLQ-UHFFFAOYSA-N 468.579 5.703 30 20 JKED CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)s1 26764915 DWRRNXDEAQESEA-DHZHZOJOSA-N 489.515 6.252 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(Br)cc1 29848800 NFNDMDORKFHVSO-UHFFFAOYSA-N 499.350 5.144 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)s2)cc1OC 107806672 JGGGDWRIKXNJDB-UHFFFAOYSA-N 486.553 5.755 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C 107807370 NWYIJNXNZGOVGJ-UHFFFAOYSA-N 471.948 6.269 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 220057418 RRYAQEUPCHJMDO-UHFFFAOYSA-N 455.436 5.053 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SC(c3ccc(F)cc3)c3ccc(F)cc3)nnc12 255927944 ZOWWDYXJNPUBFJ-UHFFFAOYSA-N 460.509 5.390 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3cccc(Br)c3)s2)ccc1S(C)(=O)=O 302988090 LYUMBCCJUPRGGW-VQHVLOKHSA-N 477.401 5.486 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cccc(OCC(F)(F)F)c2)c1 482519642 PHSBABQHELESEN-UHFFFAOYSA-N 499.514 5.160 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 485262264 SGJRENDZZFJFHN-KSFYIVLOSA-N 499.920 6.172 30 20 JKED C=CCOc1c(Br)cc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cc1OC 489286720 KJKJSTIVHQUMID-HSZRJFAPSA-N 480.362 5.184 30 20 JKED C=CCN(C(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1nc(C(=O)OCC)cs1 501939275 CVALSJIBVNSOEN-UHFFFAOYSA-N 488.363 5.102 30 20 JKED Cc1cccc(Oc2ccccc2NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 502660974 NTIXTXKJHTYDQC-UHFFFAOYSA-N 454.530 5.542 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 503539707 AREVLYXRJUVDJO-HXUWFJFHSA-N 453.527 5.146 30 20 JKED CCOc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 505324945 KSYOPGXDAYHDCC-DVECYGJZSA-N 482.584 5.639 30 20 JKED N#Cc1ccc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)cn1 507551835 LSQGSBKPWFHULN-UHFFFAOYSA-N 499.436 5.382 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 507904990 LUQGJVREGHXWKH-UHFFFAOYSA-N 479.496 5.325 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 508130041 DVUCZFYDKVXMET-UHFFFAOYSA-N 477.586 5.202 30 20 JKED O=C(CCc1nnc(-c2cc(F)ccc2Br)o1)Nc1cccc(C#Cc2ccccc2)c1 510893353 BFQUYJAIQGIGOH-UHFFFAOYSA-N 490.332 5.609 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1 510981680 DLHZXPFYWSQLAI-UHFFFAOYSA-N 487.644 5.826 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)n2)ccc1F 511616653 KAOPFFXDDLQLRF-UHFFFAOYSA-N 457.465 5.123 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 511689368 ZJYYINGUFKWGGZ-UHFFFAOYSA-N 455.495 5.384 30 20 JKED CCCN(CC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 512800750 ACWADUAIIMEJCF-UHFFFAOYSA-N 460.390 5.095 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1nc2ccccc2s1 513677224 SPRVNMOKLKVBHX-AWEZNQCLSA-N 466.316 5.394 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 513997293 QOYYYNFLHFESQG-UHFFFAOYSA-N 482.437 5.744 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2n1CCOC 514364750 RZTIFVWJRWPDKK-HNNXBMFYSA-N 450.029 5.093 30 20 JKED C=CCN(C(=O)c1ccc(Oc2ccccc2)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514450638 HWZPJUWLQNREKZ-UHFFFAOYSA-N 458.499 5.738 30 20 JKED COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2sccc2C#N)cc(OC)c1OC 514903570 BOXLKUJBQXVOTN-ATVHPVEESA-N 497.576 5.933 30 20 JKED C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 515638745 NFSOTNAOXIXKHF-MRXNPFEDSA-N 491.034 5.162 30 20 JKED N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCO[C@H](c2ccc(Br)cc2)C1 516810278 NYORNJCXBWKUOQ-IBGZPJMESA-N 460.278 5.048 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 517439967 ALPLTCLPJQRQJB-UHFFFAOYSA-N 480.387 5.959 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC 517535716 LKRFBMNECHRQAV-GOSISDBHSA-N 495.417 6.126 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Br)cc3OC(C)C)n2)cc1 517800952 RYBKDWUMDXFZLV-GOSISDBHSA-N 471.376 5.858 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 517915519 IDWZNOWUAMPJRS-SFHVURJKSA-N 476.945 5.316 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 518681641 CSCGPXYHEYKXKO-OALUTQOASA-N 477.630 6.130 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc1 518690677 QOHQORQYZNNJAO-UHFFFAOYSA-N 485.494 5.866 30 20 JKED COc1ccc([C@@H](Cc2ccccc2C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OC 519259753 CQQAMIMQTKSMPS-XMMPIXPASA-N 457.574 5.919 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccccc1SC[C@H](C)C#N 519450353 BEVSZNUIZWWMQK-OAHLLOKOSA-N 469.998 5.685 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 519871537 UOWCAMQZGMDXQT-UHFFFAOYSA-N 490.516 5.084 30 20 JKED CN(CCCCCc1cc(-c2cccc(F)c2)no1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 519889555 XBERUFCJMRGYIE-UHFFFAOYSA-N 495.498 5.405 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)c4cn(CCC#N)nc4-c4ccc(C)c(C)c4)CC3)c2c1 520470747 AHNZSPHJYOXVGJ-UHFFFAOYSA-N 479.584 5.500 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 521261823 ZGWQNYIAPULNSK-IBGZPJMESA-N 468.586 5.508 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(NC(=O)NC2CC2)cc1 521367095 ZSXXDMXYFSYXBZ-QGZVFWFLSA-N 455.518 5.517 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc(-c3ccccc3)nc21 521554401 VQDFTUYQTFAPGI-NRFANRHFSA-N 463.566 6.293 30 20 JKED COc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(OC)cc1NC(=O)c1ccccc1 524385692 NFPDMAGPQLBIIE-UHFFFAOYSA-N 497.507 5.252 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 553024620 WZUOVSFGJWGUPR-UHFFFAOYSA-N 497.511 5.212 30 20 JKED CCOc1ccc(/C=C/C2=Cc3c(sc(NC(=O)Cn4ccnc4)c3C#N)C(C)(C)C2)cc1 553194167 GSNAJGKAOQJDAT-AATRIKPKSA-N 458.587 5.632 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590331744 ITTQXVRMMKXVCF-HZPDHXFCSA-N 478.408 6.308 30 20 JKED C=CCN(C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)[C@H](C)c1cccc(-n2cnnn2)c1 595993424 NCZQLYZATWVMFJ-QGZVFWFLSA-N 459.575 5.097 30 20 JKED Cc1cccc(-c2nnc(SCCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)o2)c1 603504696 QPNKPGQBYAGYSL-UHFFFAOYSA-N 461.547 5.097 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cs2)cc1OC 603991789 RDTPIBZQUJRGOE-UHFFFAOYSA-N 487.606 5.707 30 20 JKED Cc1ccc(CCCNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)c1 604134078 QPKVQAPXMSMZHJ-XMMPIXPASA-N 459.977 5.300 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cc2)cc1 604457059 NJCOULLJEMWOGJ-UHFFFAOYSA-N 459.461 5.403 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 609061178 LIAQPILOAZIJKV-UHFFFAOYSA-N 488.012 6.328 30 20 JKED COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1OCc1ccc2ccccc2n1 609066643 RZSGXNJFVIOPOE-GOSISDBHSA-N 453.498 5.100 30 20 JKED N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 609141537 VWFUZLNRPFVYBM-QHCPKHFHSA-N 478.474 5.437 30 20 JKED N#CCn1c(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc2ccccc21 609170612 SRFWXAPWZTWBCZ-FQEVSTJZSA-N 455.345 5.105 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609175858 KAHFPWYJLASBMP-QHCPKHFHSA-N 492.373 5.506 30 20 JKED N#CCn1c(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc2ccccc21 609216146 CEQKJJPWUVMGDO-UHFFFAOYSA-N 480.421 5.827 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2cc(Cl)ccc2c1=O 609370076 YHXBPYGDZJKTFP-HNNXBMFYSA-N 487.050 5.585 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 609371067 XIJBZVWNLKQSBR-HNNXBMFYSA-N 495.029 5.669 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 609427768 JLQSWRUKELPLLX-MRXNPFEDSA-N 472.010 5.234 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 612314676 WRALOGHDYFZAQN-UHFFFAOYSA-N 492.904 5.348 30 20 JKED CC(C)c1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2cnn(C(C)C)c2n1 613319096 NKIPVVXPWADVKZ-SFHVURJKSA-N 463.994 6.403 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)no1 613320028 QDIDBNLISMVLRJ-QGZVFWFLSA-N 450.907 5.224 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1nc(-c2ccccc2)cs1 613392032 HLLHDSDFUKHKPY-KRWDZBQOSA-N 492.354 5.908 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1nc2ccccc2n1C(F)F 613401518 AMQCDSYGKPLCGB-MRXNPFEDSA-N 478.430 5.078 30 20 JKED N#C[C@@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nnc(N2CCOCC2)n1-c1ccccc1 614437979 IGMUXKHYQUDOKO-HNNXBMFYSA-N 498.395 5.115 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 615970087 ZXECUASEZVFAEZ-UHFFFAOYSA-N 460.549 5.055 30 20 JKED O=C(Cc1cc(F)ccc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518280 ZQUOXWZQDOSIIA-QGZVFWFLSA-N 453.329 5.145 30 20 JKED C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nnc1-c1ccccc1F 645077144 BQDSTWOATWNSQO-UHFFFAOYSA-N 461.444 5.230 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC(C)C)cc1 726416437 WFUWEILRZVYHIG-LJQANCHMSA-N 479.524 5.473 30 20 JKED C#Cc1cccc(NC(=S)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1 726435402 SBPGQSKZKQRNJC-UHFFFAOYSA-N 476.410 5.584 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)c(C(F)(F)F)c1 727360702 QFLRALVYJILXJE-OAQYLSRUSA-N 460.477 5.044 30 20 JKED N#Cc1cccc(COc2ccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)cc2Cl)c1 727979051 QJKRANXDSUAQRW-UHFFFAOYSA-N 453.354 6.125 30 20 JKED COc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1 728062036 HAWJCHQFBFRDEW-MRXNPFEDSA-N 465.937 5.247 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1c(Cl)ccc(C)c1Cl 728428971 DNHHTJWAADVQOQ-GOSISDBHSA-N 488.396 5.098 30 20 JKED N#Cc1ccc(SCC(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 728680733 YBGDNRCEPYIUHI-UHFFFAOYSA-N 466.971 5.676 30 20 JKED CCn1c(/C(Cl)=C/c2ccc(O[C@H](C)C#N)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 728698784 OPMBMYOPXHTXSW-OSVNEOKWSA-N 499.036 5.259 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c1OC 729430251 VMIMRGQXGOYYTH-IBGZPJMESA-N 480.977 5.120 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 729569009 FDCCUHCCJBETMA-QFIPXVFZSA-N 478.593 5.214 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ncccc2C)cc1F 729633019 UYQBFUQFEOMRQO-HSZRJFAPSA-N 492.576 5.007 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cocn3)C2=O)c1 730717175 GNLMVPCLPGQABU-HXUWFJFHSA-N 468.966 5.105 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N([C@@H](C)c3cccnc3)C2=O)c1 730943304 BXVHMQYDDRNZRA-YADARESESA-N 488.613 5.429 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(F)cc2)cc1 731067871 KJOQAIVNRGDGFA-KRWDZBQOSA-N 464.518 5.665 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 731124016 AMBSPFBJSWZPOV-QFIPXVFZSA-N 489.563 6.087 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCSc2ccccc2)C1=O)Nc1cccc(O)c1 731306215 LGAXUXRFBCZQHV-JOCHJYFZSA-N 495.601 5.284 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731306570 WDVDWYBYEQYVJE-QVKFZJNVSA-N 480.977 5.162 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 731308831 QONDATLCRSLRFH-JPYJTQIMSA-N 474.586 5.126 30 20 JKED Cc1c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)nnn1-c1ccc(OC(C)C)cc1 731326979 VLQQSFDZVOXGMV-VWLOTQADSA-N 451.530 5.271 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c1=S 732527409 SQJCNVFVVMYVSZ-UHFFFAOYSA-N 481.641 5.398 30 20 JKED C=CCOc1ccccc1CN(C(=O)Cn1ccc(=O)c2ccccc21)c1ccc(C)c(C)c1 743827526 JDMJWKGVWJXWQC-UHFFFAOYSA-N 452.554 5.417 30 20 JKED COc1ccccc1-c1nnc(S)n1N=Cc1cccc(OCc2ccccc2Cl)c1 744728886 JICFTBUQMSSMSK-UHFFFAOYSA-N 450.951 5.357 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)cc1 746697782 LXMHEYBERWAQOD-JOCHJYFZSA-N 467.635 5.387 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)c(F)c1 746698140 VSZWWRFDCNQAEA-NRFANRHFSA-N 493.551 5.189 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 746698278 YXTJONLZYHTOTJ-FQEVSTJZSA-N 495.979 5.395 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCCOC3CCCC3)C2=O)c1 747041655 ALHLLMXPZPETFS-XMMPIXPASA-N 479.646 5.613 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3cc(-c4cccs4)on3)n2)cc1 747112106 XKZHDSXUQZRBCO-KRWDZBQOSA-N 451.598 5.945 30 20 JKED C[C@H](OC(=O)c1cc2cc(Br)cc(Br)c2o1)C(=O)Nc1ccccc1C#N 747504814 NABOWCXKQSQCQV-JTQLQIEISA-N 492.123 5.013 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)c1 747602169 JQBMVFUFGDCXGA-HXUWFJFHSA-N 486.569 5.144 30 20 JKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 750301480 GEOOTQIXIGXALE-ZBLYBZFDSA-N 450.586 5.790 30 20 JKED C=CCN(C(=O)COC(=O)c1ccnc(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 792629093 JICNFAYKUUTOTM-UHFFFAOYSA-N 482.776 5.541 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1csc(N(CC)C(C)=O)n1)C(=O)c1ccccc1 797174426 VVUAIVOTZUSSFW-XQNSMLJCSA-N 475.614 5.546 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3OC)N(Cc3cccs3)C2=O)cc1 838525461 VTZSNXKVQAHWRT-JOCHJYFZSA-N 495.626 5.316 30 20 JKED N#Cc1cccc([C@@H]2NC(=O)N(Cc3cccs3)C(c3cccs3)=C2c2nc3ccccc3[nH]2)c1 840200040 XSAPCSJAZIRBFI-DEOSSOPVSA-N 493.617 6.393 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1cccc(NC(C)=O)c1 913119874 YPNLYVUJHKZQAT-IBGZPJMESA-N 491.400 5.098 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@H]1c1ccc(OC)cc1 915085934 QPJICQSLVGEGBK-PKZQBKLLSA-N 495.623 6.069 30 20 JKED N#C[C@@H](C(=O)COc1ccc2ccc(=O)oc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915103166 QAOARDHUZWJIOC-INIZCTEOSA-N 471.321 5.479 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915199621 ICIVLEUMHNBOLJ-VWLOTQADSA-N 467.598 5.777 30 20 JKED COc1cc(C=Nn2c(S)nnc2SCc2ccccc2)c(-c2ccccc2)cc1OC 915270885 UHZNJQYRNUXXMR-UHFFFAOYSA-N 462.600 5.426 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2Cl)cc1 916074351 PAWGKJKGNORRDQ-UHFFFAOYSA-N 457.921 5.513 30 20 JKED O=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)CS(=O)(=O)c2ccccc21 916154198 ARNMOENNXZIQNM-PDGQHHTCSA-N 469.356 5.082 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)c(OC)c1 916214338 MIMBDCOPWDQDLG-OAQYLSRUSA-N 499.976 5.111 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 916214678 QTJKTQCCERNQSJ-FQEVSTJZSA-N 498.948 5.310 30 20 JKED CC(=O)N(c1nc(C=NNc2c(Cl)cc(Cl)cc2Cl)cs1)c1ccc(F)cc1F 916248345 ARJDZQNEPSRWSJ-UHFFFAOYSA-N 475.735 6.512 30 20 JKED C=CCN(C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1OC)C(C)C 916707709 TZBLGPWHZFMCMP-UHFFFAOYSA-N 487.622 5.090 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)s1 916845860 RVBVTFJKEFFSLZ-ZDUSSCGKSA-N 466.613 5.188 30 20 JKED N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916938917 MZKPFTYZZOZTED-LBPRGKRZSA-N 452.713 5.478 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1Cl 916939810 TXSPCMNPFNHPTP-HNNXBMFYSA-N 460.342 5.395 30 20 JKED C=CCn1c(SCC[S@](=O)c2cc(Cl)ccc2Cl)nnc1[C@@H]1COc2ccccc2O1 917176522 ZPQQMNGAOPSFTD-DRKIFQHWSA-N 496.441 5.183 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCN(CC3CC3)CC2)cc1 917682972 OEPIYEQPNJZWIV-RUZDIDTESA-N 490.673 5.138 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCN(CC3CC3)CC2)cc1 917682973 OEPIYEQPNJZWIV-VWLOTQADSA-N 490.673 5.138 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc2ccccc2c1 917698890 LJGMEDMQLJWLAL-QHCPKHFHSA-N 475.570 5.003 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1Cc1ccco1 917702320 FYSSOCFCSKHHIQ-HXUWFJFHSA-N 498.486 5.331 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3)C2=O)cc1 917704939 QRBOAPJSEGLPDW-DEOSSOPVSA-N 484.581 5.117 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c1 917712118 DWZKSOMRPVFPDW-UBFVSLLYSA-N 490.673 5.397 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)cc1 917803001 CLNKEVONQSSEKL-SDNWHVSQSA-N 453.929 6.185 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918735748 QGQHLJDEGLTVET-ZIAGYGMSSA-N 480.478 5.296 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCSc2ncnc3sc(C)c(C)c23)cc1 920111107 JHMGKFVZGXINOD-AUUYWEPGSA-N 466.632 5.651 30 20 JKED N#CCCn1cc(C(=O)COC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)c2ccccc21 934173616 YQHMDPNPGINFOR-MHZLTWQESA-N 476.536 5.288 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3ccc(C)cc3s2)C1 1781365451 CPOWOXYYGJAACQ-YEEURNOCSA-N 466.647 5.106 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1 1786365558 LQBNRNUZLALHKQ-UHFFFAOYSA-N 465.981 5.552 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)COC4CCCCC4)CCC3)cc2)c(O)n1 1787172473 BLNJWXAIWBPXQC-UHFFFAOYSA-N 477.605 5.003 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c(-c5ccccc5)cn5ccccc45)CCC3)cc2)CC1 1787882490 RTJDAPZWOIIXRQ-UHFFFAOYSA-N 474.564 5.658 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CCC2)cc1 1788649852 BOSUMRPHTVLUDU-SGEJMCJESA-N 462.615 5.447 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788735226 OVIGXCVUYIGQFZ-UHFFFAOYSA-N 469.585 5.479 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789155205 ZXACWLFWEUBRTK-GOTSBHOMSA-N 480.992 5.087 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5[nH]4)cc3)CCC2)c1 1789317510 AETWTRYLSXMXMM-GOSISDBHSA-N 463.541 5.251 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4Cl)CCC3)cc2)c1Cl 1790082712 HOBIWVRDNNBNSC-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nnc(-c5ccccc5)o4)CCC3)cc2)c1Cl 1790083675 FMXFHZNZTJZPFZ-UHFFFAOYSA-N 497.942 5.323 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)[nH]c2c(Cl)cccc12 1790144288 BTAKFLOMYZXQOO-UHFFFAOYSA-N 471.948 5.391 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@]3(C)C[C@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1790428116 UBXZJGORARNVHU-OFUUFJSKSA-N 469.626 5.026 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(F)c3)cc2)CCC1 1790617236 NXZKGPAIKYMUSP-UHFFFAOYSA-N 477.923 5.177 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C45CC(C(F)(F)F)(C4)C5)CCC3)cc2)c1 1792123281 SDRRUFCNOGVPAX-XSHKEIFESA-N 481.518 5.794 30 20 JKED CC(=O)Nc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124229 PXRVYBSTUQJYBZ-LJQANCHMSA-N 480.568 5.334 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C3CCC(NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1792212578 XPERPYOPSPTADN-UHFFFAOYSA-N 481.637 5.008 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCc1ccc(C(F)(F)F)cc1 1793513072 VAGDUCPEZKWYTJ-NUNAXRQHSA-N 462.556 5.435 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2SCc2ccccc2)c1 1799019920 FNHHHSONDLUTQS-QEIWAGNOSA-N 496.636 5.120 30 20 JKED CCSc1cccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#Cc3ccccc3)cc1)C2 1799511452 PKPIPHZNWTZQBJ-OOSCYNTBSA-N 495.648 5.159 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)cc1 1800498206 MGHJSXPHAWXHBC-KOUNCHBCSA-N 499.533 5.320 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cc2ccccc2o1 1800504868 YIQRPNNVIRAFMP-LGKQTMLJSA-N 474.560 5.398 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Br)cc3)CCCC1)C2 1802630925 SEQCQQNFJWNVMT-NUNAXRQHSA-N 485.466 5.093 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1803091161 NFHPLLXYIMGZIL-QDPGVEIFSA-N 493.607 6.069 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4CCC[C@@H]5CCCC[C@@H]54)CC3)C2)c1 1805328450 XAURFKQJZRSYNK-GMQQYTKMSA-N 475.677 5.329 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC2(CCCN(C(=O)CCc3cccc(C#N)c3)C2)CC1 1805328674 DLFGAPDORSPXKZ-UHFFFAOYSA-N 494.035 5.088 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CCc3cncc(C(F)(F)F)c3)CC2)C1 1805459753 SRAXJQQDFRHKMT-UHFFFAOYSA-N 477.571 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)C3)[C@@H]1c1cccnc1 1808148418 LIADAUYVUTZFOU-UPVQGACJSA-N 475.633 5.107 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)cc2c1 1809157396 SVEQMJDXUDZDML-WQHXYCOISA-N 491.595 5.132 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccccc4C(F)(F)F)C3)CC2)c1 1809236155 MCYGFVDPGIALDI-HXUWFJFHSA-N 497.561 5.420 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1810168595 JPPIDVYQYIRQME-JNCLAJFSSA-N 477.571 5.225 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(C)c1 1810273310 ULIAAGUYJVRNET-SQHAQQRYSA-N 475.709 5.069 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c1Cl 1810681551 GDMPVQZILLVZSZ-JPYJTQIMSA-N 497.357 5.033 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1811304870 QVMKHSNGCMCNDG-DWACAAAGSA-N 496.636 5.415 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)[C@H]2c2cccnc2)cc1 1811897257 HGYLWRNMKUUINJ-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2OC)[C@H]1c1cccnc1 1813909008 BYKDQFPHPHLVFF-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(Br)c2F)n[nH]1 1814811924 HJYLPUQEYUFTRX-DNVCBOLYSA-N 491.405 5.148 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1815654929 CDYUNKGZOJHSHI-GOSISDBHSA-N 458.971 5.034 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)ccc1Br 1816696985 XSCUPJHNKRGUEM-NRFANRHFSA-N 498.425 5.320 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)[nH]n2)cc1 1817741879 XODJICUPAJJIJF-ZJSXRUAMSA-N 477.634 5.040 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1)C(F)(F)F 1818596476 MKBUUDZJRVPKLR-HNNXBMFYSA-N 466.460 5.188 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)n[nH]2)c1 1818931367 NSSGHIPHQBKPSA-JWMZNBFRSA-N 489.620 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc(-c3ccccc3)ns2)[nH]n1 1819304878 LOSIDUWCYTYRCT-QUCCMNQESA-N 476.606 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)[nH]n1 1819307728 YHUJVRWVMGGWKK-DVECYGJZSA-N 473.577 5.046 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)n[nH]1 1819369280 RUGUXNHMMSDPOW-UWJYYQICSA-N 481.597 5.129 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820116108 DTJWDAYFSCXEPO-NRFANRHFSA-N 471.586 5.339 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)[nH]n2)c1Cl 1820218616 WOGXGZYLEYCNNS-NRFANRHFSA-N 491.954 5.112 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)[nH]n1 1820910878 PRKPJAZNEJQFAX-RZUBCFFCSA-N 499.656 5.030 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c1 1821041953 DZWBMKIEJVBDPU-NYHFZMIOSA-N 479.943 5.449 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)cc1 1821182709 YPNUZULHKPXSAO-OAQYLSRUSA-N 487.560 5.449 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1821986267 RLZGVSMSYJIIKZ-NRFANRHFSA-N 479.531 5.297 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1)C(F)(F)F 1821992218 VRSCDZDTBSJICI-MRXNPFEDSA-N 479.890 5.277 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1)C(F)(F)F 1821993282 YPLNYPBAXMRKSU-KRWDZBQOSA-N 484.906 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)c1 1822023109 YQPKTMPHDQFQKX-PMLWBMQCSA-N 459.594 5.169 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)[nH]n1 1822389452 OHDQKDIZGHNWTN-QFIPXVFZSA-N 490.604 5.472 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)cc12 1823215626 YKSUOOJJNOMDEY-BVZFJXPGSA-N 480.572 5.446 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)[nH]n2)c1 1823216076 OIXDKKJRSJTDDC-SIBVEZHUSA-N 497.599 5.445 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823294759 SCUHZLRAWDHNPY-HSZRJFAPSA-N 489.551 5.136 30 20 JKED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1)c1ccccc1 1823496228 LFPZJWUQPKJLCV-KSFYIVLOSA-N 495.505 5.410 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CC3Cc4ccccc4C3)n[nH]2)c1 1823560796 YIWCBIBFWRRKMR-SIBVEZHUSA-N 481.600 5.148 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c(Cl)c1 1825034253 DVVUQFHIEUIUDY-NRFANRHFSA-N 490.456 5.403 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 1825855751 UMJJNWCCSXLBNF-LJQANCHMSA-N 476.429 5.474 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)CC1 1827850358 LGQYZOWHXHYSPY-UGKGYDQZSA-N 463.544 5.102 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1828822058 VOYFLGNYMWWIFR-HLZIPSDMSA-N 459.634 5.569 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1829067544 QWECHLHDDUJNPZ-RUZDIDTESA-N 454.655 5.240 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccco3)no2)CC1 1829067690 VFVGSNWRGSOMEJ-OAQYLSRUSA-N 453.583 5.160 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1830426551 RKTQXXGUJAPKKN-VWLOTQADSA-N 479.665 5.163 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830447756 PGUUMKTZEKXYSB-WUFINQPMSA-N 471.645 5.750 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1830455475 DVDROBAINKHVLV-VWLOTQADSA-N 479.665 5.261 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCCC[C@H]1C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 1830533932 JROYIZFUAKIWOI-SFHVURJKSA-N 494.451 5.420 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830607553 DBBOSGYTBZLZBP-MUUNZHRXSA-N 473.661 5.521 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)ccc2[nH]1 1831034801 IQTUZSMDGDFAJX-VWLOTQADSA-N 489.019 5.549 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)C(F)(F)F 1831448922 OMJXNCWDYOCNKK-QFIPXVFZSA-N 462.556 5.237 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)CC1 1831780182 MXANKTTXHOQOQG-HSZRJFAPSA-N 468.041 5.075 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831852693 ZBJUZCMVAWOXSV-OZXSUGGESA-N 494.079 5.664 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1831858444 OIEQNNRVDJQIGI-QFIPXVFZSA-N 454.998 5.311 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1832028469 PIIFTNVHSNVGQI-LXFBAYGMSA-N 478.677 5.004 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc(Cl)c2F)CC1 1832031880 YFYSRLMLJNXANY-HXUWFJFHSA-N 450.957 5.045 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4[nH]ccc4s3)CC2)c1 1832632742 VCNUELRGYVLBHI-WZONZLPQSA-N 474.630 5.404 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832673937 RSKJYJCOIUELGW-BCHFMIIMSA-N 494.035 5.523 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711642 QBSJVBWPWVXSAC-VQTJNVASSA-N 474.564 5.032 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832713157 LHAOFXONCSLHCC-VQTJNVASSA-N 475.457 5.320 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832714308 JECKHVWCEBLEPQ-BXPUGBIQSA-N 494.394 5.078 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CC1 1832720127 ZSDIPOSAQUENFM-SFHVURJKSA-N 468.812 5.184 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)c1c3ccccc3n3ccsc13)C2)c1ccccc1 1844336376 LKBPMXUBRDLKCJ-JOCHJYFZSA-N 481.621 5.168 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CC=CCC1)C2 1845227033 CORHQDIASPUWNX-PKTZIBPZSA-N 489.701 5.190 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172907 JHMVMKTZPRUPAR-UHFFFAOYSA-O 457.522 5.197 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174187 HCBXWSJOVZBAEM-UHFFFAOYSA-O 485.551 5.975 30 20 JKED CC(C)c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1Cc1ccco1 10934753 DBBZFTWROBFENO-HNNXBMFYSA-N 469.636 5.364 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3(C#N)CCCCC3)n2Cc2ccco2)cc1 15276494 MJUZWENMNANPHD-UHFFFAOYSA-N 477.634 5.319 30 20 JKED CC(=O)Nc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16414219 JFJCFWREWGWDIR-OAHLLOKOSA-N 475.570 5.184 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCC(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 16771677 UZGSUXYPGWOVDS-OAHLLOKOSA-N 459.612 5.011 30 20 JKED COc1ccc(-n2c(SCC(=O)c3ccc(C#N)cc3)nnc2-c2ccccc2Cl)cc1 18471792 BQMQNGDGLUOAEZ-UHFFFAOYSA-N 460.946 5.443 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22799978 CQOLJGYLZQLSPW-UHFFFAOYSA-O 463.932 6.048 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 23501142 PLOMQOWTLOGMDJ-ZDUSSCGKSA-N 468.094 6.074 30 20 JKED CCOc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)o1 24876482 SLFHQRBNNAMFBU-UHFFFAOYSA-N 491.548 5.284 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nc2cc(Cl)ccc2c1=O 45334575 CPHWBJZNUPQJRL-UHFFFAOYSA-N 483.018 5.399 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc(C)nc21 97542524 PDTYIKLDLHNIIZ-IBGZPJMESA-N 453.546 5.722 30 20 JKED Cc1nc(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)sc1SCC#N 302938971 KODXWSWEPPTURM-QGZVFWFLSA-N 474.405 5.589 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1 303021512 RCOZDIJGKGNJHH-UHFFFAOYSA-N 453.336 5.570 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 303328391 VWPOAUQZECVMGG-HNNXBMFYSA-N 469.661 5.248 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 486917565 RAQVGRDDUXMWOM-UHFFFAOYSA-N 454.505 5.585 30 20 JKED Cc1ccccc1-c1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1Cc1ccco1 487123233 VEJLJEWRZPHDAC-UHFFFAOYSA-N 492.004 5.587 30 20 JKED COCCN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1ccccc1 487250530 KVOJXKMMMXFFMW-DVECYGJZSA-N 475.976 5.170 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 490627526 DSCQBTSUWZLLRK-UHFFFAOYSA-N 465.534 6.454 30 20 JKED C=CCN(C(=O)c1cc(F)c(Cl)cc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 500512361 WPWZGMKONIAXSP-UHFFFAOYSA-N 485.389 5.492 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 502639925 XSABOMBMZUTICB-CQSZACIVSA-N 490.368 5.072 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc(C(F)(F)F)cn1 502675061 LKINUYRNSWIVOO-LJQANCHMSA-N 457.477 5.613 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)c(OC)c1 502715850 LNWPCXSFZVQODP-FQEVSTJZSA-N 492.457 5.460 30 20 JKED O=C(Nc1cccc(Cl)c1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503141268 PXLVJSHRHAYXHX-UHFFFAOYSA-N 487.162 6.003 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 504033284 FOUULDUXMWMIQD-UHFFFAOYSA-N 481.955 5.805 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 505626548 UKFVMQSDRUHCTP-QHCPKHFHSA-N 485.540 5.001 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc1 508146211 IXWBOBOJOVVESO-UHFFFAOYSA-N 466.379 5.234 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)c2)c1 509212156 PPHZVWORYOOWOZ-HSZRJFAPSA-N 460.921 5.069 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 511371969 FADXRMSWGDWVHL-HSZRJFAPSA-N 463.990 6.344 30 20 JKED C=CCN(C(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1nc2c(s1)CCCC2 514485955 IQUAHCOQGXPLQV-UHFFFAOYSA-N 460.024 5.852 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)N(C)c1ccccc1)C(C)C 514773013 BPKWERKHURBRRL-QFIPXVFZSA-N 471.026 5.476 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 515935047 OWBYJYVJHQVFQN-FQEVSTJZSA-N 495.377 5.149 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2OC2CCCC2)cc1Cl 516413067 ACRZQFLVZDIDBV-DEOSSOPVSA-N 487.987 5.572 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 517130813 XIGFSOQLXXMJBX-CQSZACIVSA-N 469.328 5.210 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 517461996 XUZWCNFIZONIII-LIRRHRJNSA-N 462.402 5.488 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)cc1 517491734 CKUSNPDYWJCHGC-RUZDIDTESA-N 460.599 5.261 30 20 JKED C=CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 518233736 MSTZGIWMHMISKB-INIZCTEOSA-N 497.386 5.333 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)cc1 518648536 OKUVCLJDQKRHOA-UHFFFAOYSA-N 450.585 5.227 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 518654521 DXJMVSWIPWGZBH-QGZVFWFLSA-N 479.675 5.905 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)cc1 518688722 MXRNEHYSDWGRJA-UHFFFAOYSA-N 491.551 5.699 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 518754708 YBXZVXNBXPIACC-KUHUBIRLSA-N 450.391 5.993 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc(-c2c(F)cccc2F)cs1 518871070 SXISSZIIMQPEPU-ZDUSSCGKSA-N 485.313 5.731 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1C 520471138 JLOFTXXQTKVNCV-UHFFFAOYSA-N 453.502 5.178 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 520857877 CEJCRKLQGLINNM-GOSISDBHSA-N 451.592 5.343 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc2cc(Cl)ccc2s1 520942798 ONBSVVRABJFOON-ZDUSSCGKSA-N 453.932 5.334 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nnn(-c4ccc(F)c(Cl)c4)c3C)n2)cc1 521303982 PEUNABWWFAJYPC-MRXNPFEDSA-N 451.914 5.290 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 521811610 NGMANZJNCVPZKI-CYBMUJFWSA-N 451.379 5.490 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)cc1 603690457 JPFPKYIDEXALQM-QFIPXVFZSA-N 458.909 5.044 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)COc3ccc(N4CCCC4=O)cc3)cc2Cl)cc1 604027096 DROZICRPOGPOFK-UHFFFAOYSA-N 461.905 5.148 30 20 JKED CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)c(C#N)c1C 604547746 LNXUEKDLSMDNDF-CQSZACIVSA-N 483.619 5.065 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 608784577 BYXLZEPSVAOCGV-UHFFFAOYSA-N 457.534 5.374 30 20 JKED COc1cc(Br)c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC 608916237 RXUSSHODCGQWFQ-UHFFFAOYSA-N 482.334 5.452 30 20 JKED COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)CC2 608916276 UZYQNBLEIBUJGC-UHFFFAOYSA-N 498.627 5.576 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 608994743 SIQKBUXOHFXVLP-UHFFFAOYSA-N 455.562 5.121 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cc2)c1 609073316 BFMAVRYIGJJXFD-UHFFFAOYSA-N 483.549 5.190 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 609400141 MRVZVPVTHFNDCK-FQEVSTJZSA-N 495.608 5.046 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 609402583 YZDVSWNBILUSDI-UHFFFAOYSA-N 498.764 5.364 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1[nH]c2ccc(Br)cc2c1Cl 616159712 CMITXBOGKNKKNO-UHFFFAOYSA-N 455.661 5.384 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccccc1OC 684998897 ZSYLUSBNYCIUKN-LJQANCHMSA-N 476.602 5.563 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@H](C)c2ccccn2)cn1 726110754 IHUKTYUTOHISAR-HOYKHHGWSA-N 498.612 5.173 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(CC[C@@H](C)OC)C1=O 726396266 DKMKTQWNCYAOTQ-VFNWGFHPSA-N 490.025 5.042 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2ccc(F)cc2)C1=O 726419452 FKTYKHDEJWPIGS-ZRGIPMBISA-N 497.617 5.486 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N\[C@H](C)c1cccs1 726419953 JZWAAEAELKJCNK-YUIGFBNLSA-N 499.630 5.099 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCc3nccs3)C2=O)cc1 726420441 LSBMVYYLKYAUBH-PCDATPIKSA-N 484.672 5.146 30 20 JKED C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 726465308 UZGKCKVGQNGLST-OAHLLOKOSA-N 466.969 5.580 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1csc(-c2ccccc2Cl)n1 727628904 YJDIDLFNWMQCIC-AWEZNQCLSA-N 463.918 5.739 30 20 JKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)on1 727996788 NEFCMAMVOKMHHT-UHFFFAOYSA-N 469.566 6.287 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O)Nc1ccc(SC(F)F)cc1 730459053 FRJPNIBHXUTVRZ-GOSISDBHSA-N 479.549 5.653 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1F 730534589 DMZIQDHYNDNJMK-HXUWFJFHSA-N 473.476 5.166 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3ccc(OC)cc3)cs1)O[C@@H](C)C2 730691308 IWDXIDYLRZAWSQ-FYXRHKGBSA-N 474.582 5.521 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1Cl 730896770 CSIXYIFBJWIFGG-RBBKRZOGSA-N 473.882 5.869 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 731060380 UMPGXRQPGDJZDX-GFCCVEGCSA-N 462.955 5.884 30 20 JKED Cc1ccc(-c2ncc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)c(C)c1 731079461 VXFAPIBSOIKADJ-KRWDZBQOSA-N 465.600 5.617 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(F)c(Br)c1 731108605 KGGAMQXZIBXCBV-QRWLVFNGSA-N 452.327 6.126 30 20 JKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)ccc21 731227721 WXDHZFXLNNEYLK-UHFFFAOYSA-N 476.577 5.040 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)ccc2F)c1 731313508 YJIBVSWSMLAJFG-QHCPKHFHSA-N 493.560 5.009 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(Cc2sccc2C)C1=O 743523810 DLBLKHLKZNFVNE-OAQYLSRUSA-N 497.617 5.673 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744604756 JCYMAFGJWMAWSQ-UHFFFAOYSA-N 478.382 5.528 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccc(N3CCOC3=O)c2)c1 745625988 HCXQFNQDFDGJSY-ACCUITESSA-N 495.535 5.409 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(CCOC(C)(C)C)C2=O)c1 746697729 KSRLPJAPHKOTIW-OAQYLSRUSA-N 489.588 5.357 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 750704281 YGJOMMNSDGPNQZ-IBGZPJMESA-N 450.539 5.038 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1Cl 799219593 UXNDIVOZUGNEOW-MRXNPFEDSA-N 466.788 5.083 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N([C@H](C)c3cccnc3)C2=O)c1 837299255 FKSCPTCFRUYUKS-DVECYGJZSA-N 488.613 5.429 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3ccccn3)C2=O)c1 838267670 SOGNTWQVTKJNMH-DVECYGJZSA-N 490.604 5.867 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(F)cc1F 838578244 FBXVLIGYSBDALC-IBGZPJMESA-N 479.936 5.082 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(CC(F)(F)F)C2=O)c1 838591791 JOSZSEJINJXWJG-KRWDZBQOSA-N 471.451 5.104 30 20 JKED CC(C)Cn1cc([C@@H]2N(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC23CCOCC3)cn1 849533285 URQWOQOJIQQWIT-SANMLTNESA-N 470.573 5.197 30 20 JKED N#CCSc1ccccc1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 887556308 CPPOHCHGMCYGCP-UHFFFAOYSA-N 467.428 6.005 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 911527088 WCNJELDPKUQZSD-LLVKDONJSA-N 475.159 5.496 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 913120543 KIWNXDUAZCHWQK-GOSISDBHSA-N 491.400 5.075 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914439845 QASQRZIQYRBCLU-BOPFTXTBSA-N 493.031 5.259 30 20 JKED CCOc1ccc(-c2nc(C(=O)OCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)cs2)cc1 914993578 SSJFIOGQYXXLEO-UHFFFAOYSA-N 483.977 5.274 30 20 JKED COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2nccn2C)c1 915351773 CBRFLZKRFFHUDS-IZZNHLLZSA-N 481.556 5.004 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(COc3ccccc3)cc2)cc1 915784870 YGYHVEWQJOILGI-MUUNZHRXSA-N 475.548 5.176 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1 916519350 BZJFAHCNHGTKES-NRFANRHFSA-N 453.468 5.380 30 20 JKED COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC(F)F 916906426 QXIUXFKJDOGRML-QGZVFWFLSA-N 452.413 5.050 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916930899 HURYAWIOOOLLKS-SFHVURJKSA-N 470.287 5.346 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2c1C 916942598 NFFFSBKIECLVAM-AWEZNQCLSA-N 465.387 5.055 30 20 JKED C[C@H](NC(=O)COC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Cl)c(Cl)c1 917327987 MVUWTWQTMQEDKW-AWEZNQCLSA-N 473.312 5.071 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C4CCC5(CC4)C(=O)Nc4ccccc45)c23)cc1 917539327 DDXIKDYXCAIFAR-UHFFFAOYSA-N 469.570 5.599 30 20 JKED COc1cccc(COc2cccc(Cl)c2C=Nn2cnc3ccc(Br)cc3c2=O)c1 917543349 LSKZTSOWKOZJMM-UHFFFAOYSA-N 498.764 5.282 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)c1 917676047 BLQGGJXIQQHSJZ-QHCPKHFHSA-N 476.577 5.306 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCC(C)C)C1=O 917704537 LODJDIBZRHGSKI-QHCPKHFHSA-N 478.618 5.353 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2csc(COc3ccc(Cl)cc3)n2)S1 918714167 VYFBLMITMXSVBT-VCHYOVAHSA-N 455.992 5.884 30 20 JKED Cc1ccc(-c2cc(C(=O)OCC(=O)N(CCC#N)c3cccc(C)c3C)c3c(C)noc3n2)cc1 918929302 CILXFUHJVDCZEA-UHFFFAOYSA-N 482.540 5.227 30 20 JKED COc1cc(-c2ccccc2)sc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 919459368 DIFDVGOXLHNLLS-ZDUSSCGKSA-N 452.557 5.030 30 20 JKED COc1cc(/C=C\C(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1OCc1c(C)noc1C 919864319 LUQNPKYYKODTPY-FLIBITNWSA-N 461.518 5.190 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)o2)c(C)c1 920110157 YWHNKPDVAVHPIP-HSZRJFAPSA-N 480.520 6.229 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nc(C)nc4sc(C)c(C)c34)n2)cc1 920143606 SIXFNIYFPQCSBZ-KRWDZBQOSA-N 480.640 5.717 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)c1=S 920304797 AUDBZYLZDOZESC-MRXNPFEDSA-N 459.541 5.864 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 920353891 VYGSRMQDUBJCRQ-OAQYLSRUSA-N 482.993 5.414 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c1 920354417 CLWXAMBGTKPTEX-JOCHJYFZSA-N 480.565 5.153 30 20 JKED C=CCOc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1OC 920751052 PMRCSBWNDJBARO-NBSJPRBISA-N 453.542 5.066 30 20 JKED N#C[C@H](C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(-c2c(F)cccc2F)cs1 920804299 OOFQIAVMVXRHKL-GFCCVEGCSA-N 496.417 5.694 30 20 JKED Cc1nnc(SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1Cc1ccccc1 920804537 UPHWOUHZTUXAPO-INIZCTEOSA-N 481.553 5.005 30 20 JKED C=C(Br)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C 920985252 SBBXPEIYTBBBGR-SFHVURJKSA-N 476.371 5.003 30 20 JKED CSc1nc(O)c(C(=O)Nc2ccc(-c3ccc(Br)cc3)c(C)c2)cc1C#N 1128248998 SPLBISHRRYJHEO-UHFFFAOYSA-N 454.349 5.371 30 20 JKED N#Cc1ccccc1SCc1nc(O)c2cc(Br)cc(Br)c2n1 1188799623 ZTKJBZOWXASPEZ-UHFFFAOYSA-N 451.143 5.024 30 20 JKED C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 1524021535 QWNVWQMUCXORGZ-RDBSUJKOSA-N 452.605 5.215 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(F)c(Cl)c1)C2 1779274229 PEPCIJUUVFWVAU-WPSZSDGUSA-N 483.411 5.028 30 20 JKED CO[C@](C)(C(=O)Nc1ccc(C2(NC(=O)[C@H](C)S)CCC2)cc1)c1cccc2ccccc12 1785814516 BJWCMVPIZJNZBW-QYBDOPJKSA-N 462.615 5.154 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786175967 LQXZSXGAWSNUDO-VQTJNVASSA-N 456.558 5.122 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C3CCCCC3)cc2)CCC1)NC(=O)OC(C)(C)C 1787627624 BDMDKSKJEHZCSW-HSZRJFAPSA-N 483.653 5.560 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Cl)cc(Br)c4[nH]3)CCC2)cc1 1787888941 QOURMMDMQQBQJB-UHFFFAOYSA-N 499.796 5.635 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(N5CCCC5)ccn4)cc3)CCC2)c1 1788754091 MQTAXYZDJUUNKI-NRFANRHFSA-N 493.611 5.370 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5[nH]ccc5s4)cc3)CCC2)c1 1789103213 TWBDTKQJOFKBKZ-UHFFFAOYSA-N 470.554 5.171 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789154162 MPDKCDYLTBOSAK-RAMKZGJGSA-N 475.976 5.290 30 20 JKED Cc1nc2ccncc2cc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1789248304 DZJUWNXPQJEGKH-UHFFFAOYSA-N 479.515 5.011 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)CCC2)cc1 1789625767 ZGYZVKNEGYRSFX-LJQANCHMSA-N 471.642 5.368 30 20 JKED CCc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790081896 NXKXYSMALXYAHO-UHFFFAOYSA-N 458.949 5.231 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cccc(Cl)c4Br)CCC3)cc2)c1 1790148429 PXJNVLOBPJMJBV-UHFFFAOYSA-N 497.780 5.364 30 20 JKED COc1cc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)cc1OC 1790742547 NIVLUOHQUHLWDG-UHFFFAOYSA-N 487.531 5.085 30 20 JKED Cc1cc(C)n2ccc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5Cl)CCC4)cc3)c2n1 1791003099 AHXORHNQXRDLOY-UHFFFAOYSA-N 497.986 5.538 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(OC)cc3F)CCC2)cc1 1791298891 ZWHIDETYUDENON-UHFFFAOYSA-N 460.496 5.112 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3)cc2)CCC1 1792155114 BAXMDHIPNPVVIO-UHFFFAOYSA-N 462.590 5.206 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cc1 1792168409 WWKFQGGXKHDNBT-UHFFFAOYSA-N 497.595 5.344 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCSC4)cc3)CCC2)cc1C#N 1792285792 MJRMZRAIYMDNSG-FQEVSTJZSA-N 477.630 5.236 30 20 JKED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1798459482 BYKKEJNKFBMSKA-IRJINJETSA-N 491.657 5.092 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1C[C@@H]2CC[C@H]1C2)c1ccc(C#Cc2ccccc2)cc1 1801727081 CMHHNHOJOLIUIS-JPHGTZNFSA-N 466.625 5.165 30 20 JKED C=CC[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCC(C)(C)C)NC(=O)OC(C)(C)C 1801833325 KGFPHAHOFCCFCD-GPJHCHHRSA-N 491.717 5.481 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncc(Cl)cc2Cl)[C@@H]1c1cccnc1 1802368250 GBPDANLVSVNUPO-UTKZUKDTSA-N 475.420 5.095 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2csc(-c4ccccc4)n2)C3)c1 1803679967 WGAJHGDWNDVPCP-QMZRJTEUSA-N 470.598 5.003 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1808487798 IBRPVRGKYRTMTL-CUNXSJBXSA-N 490.003 5.508 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccnc3ccccc23)[C@@H]1c1cccnc1 1808961380 GGMUQNDWQQUXMV-FIPFOOKPSA-N 498.703 5.001 30 20 JKED Cc1cccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)[nH]c12 1809746609 CJVQWYDWJQRBDQ-QFQXNSOFSA-N 497.986 5.030 30 20 JKED Cc1cccc2[nH]c(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)cc12 1809809890 WOVOIURSFDUNPW-IBVKSMDESA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)[C@H]1c1cccnc1 1810489924 PUKVCYFZJITHSX-RDGATRHJSA-N 472.589 5.049 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@H]1c1cccnc1 1810493980 AXFYPUOBPKJWFE-URXFXBBRSA-N 465.638 5.593 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1810503156 OQLRSWJDEOQNAJ-DCEDVJGZSA-N 458.606 5.021 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c(OC)c(C)c2)[C@@H]1c1cccnc1 1810504508 ZVZHBKUSGJCQNC-ISKFKSNPSA-N 463.622 5.019 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)nc2Cl)[C@@H]1c1cccnc1 1810679423 ZOCQXOJSDJCXKB-PXNSSMCTSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1811058167 MCQKASMNUKKLRQ-LADGPHEKSA-N 488.657 5.517 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1813227853 YPLGWPYPSTVKQQ-NTKDMRAZSA-N 480.033 5.463 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2cccs2)[C@H]1c1cccnc1)c1ccccc1 1813341718 RIBZEROLYDPHKZ-SDBGCZOPSA-N 485.653 5.150 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@@H]1c1cccnc1 1813832561 BLYVVBVEYWADAY-URXFXBBRSA-N 451.998 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1c1cccnc1 1814286503 GQUVLERVWPOQSH-ZBQOPKCVSA-N 471.645 5.202 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[nH]n2)C1 1814398223 ANZSCJLMCVIYES-QGZVFWFLSA-N 467.784 5.642 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(Cl)cc3)n[nH]2)c1 1816934692 FYTWDHINAODBBI-GAJHUEQPSA-N 475.980 5.239 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818117586 YWTNWYFKTJTSIU-AHBRUNABSA-N 476.602 5.096 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985606 VDNCIFJJGDCFDF-XOBRGWDASA-N 473.499 5.428 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(CC#N)cc2)CC3)cc1 1819705166 ZEDKAHQTONPDAA-UPTIQUDWSA-N 488.638 5.049 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820116046 ZXBXIRNYWKKILV-JOCHJYFZSA-N 485.613 5.729 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)ccc1F 1820220862 FLIYWJFJELPDBX-FQEVSTJZSA-N 465.916 5.002 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2F)n[nH]1 1820416571 PIKPPWJUIARDFJ-NRFANRHFSA-N 472.612 5.045 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434915 NXBBNIIYLYFFPJ-XMMPIXPASA-N 488.588 5.491 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc3ccc(Br)cc23)[nH]n1 1821925764 ZGSYKZTVFGOGJB-BTYIYWSLSA-N 496.409 5.239 30 20 JKED CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)CCCCC1 1822332719 XIISDLPOUKYYGG-LJQANCHMSA-N 453.974 5.211 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)n1 1823212350 UWDAISSFRBGYAP-IERDGZPVSA-N 476.606 5.236 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1)Oc1ccccc1 1823217406 RTSUCNQCJQJKFR-DFIYOIEZSA-N 485.588 5.200 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)CC1 1823667002 TXYKZCIYZPIFEJ-DEOSSOPVSA-N 463.622 5.567 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)c(F)cc4nc3Cl)CC2)C1 1823702570 RRZURTMZESWCIJ-QHCPKHFHSA-N 487.978 5.366 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2csc(-c3cccnc3)n2)CC1 1823752427 GFWDSDVVJBXDIR-HSZRJFAPSA-N 480.678 5.431 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)cc1 1823813259 UWAKIKNBVZSECN-AREMUKBSSA-N 489.019 5.169 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1823911612 RPGIWWPDQHYJQD-DGSRBQDKSA-N 485.049 5.382 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 1824137741 NZQLTMMGRGEGPT-SVBPBHIXSA-N 464.650 5.079 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2OC)CC1 1824145072 RGCQAFCZYWOUSJ-XMMPIXPASA-N 473.057 5.279 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 1824452622 XTPQCBBANMRDLD-VJGNERBWSA-N 464.650 5.187 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc3ncccc23)CC1 1824471436 QQMOOXMGULKBNK-HHHXNRCGSA-N 459.634 5.165 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(F)c3)CC2)CC1 1824921369 WJURRUNFVHRTOP-LOSJGSFVSA-N 452.614 5.245 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)nc1C 1825620607 KBQKUDBIPWMUNG-DEOSSOPVSA-N 498.549 5.136 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccnn3C)c(Cl)s2)CC1 1827362486 BPTVLSXHVYSNAO-YLJYHZDGSA-N 489.085 5.248 30 20 JKED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 1827839539 WERBKYURSCPQQI-JOCHJYFZSA-N 475.614 5.019 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1827997764 XSXXVTZDZRXMED-CCLHPLFOSA-N 487.669 5.453 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)nc2ccccc12 1828215146 GCOBAMMGTPIDIY-NDEPHWFRSA-N 498.602 5.030 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Br)cc4)CC3)CC2)C1 1828448119 MVDFBCVCTZIVPS-QHCPKHFHSA-N 485.466 5.067 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(CC)CCC2)CC1)NC(=O)OC(C)(C)C 1828479022 RQYMUGJCXWYVLR-DHIUTWEWSA-N 489.701 5.046 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2F)CC1 1828906859 MFTVIYZOTMNGDP-HSZRJFAPSA-N 474.668 5.249 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccn2)CC1)c1ccccc1 1829203860 JVUWQIFGSANSEG-RSXGOPAZSA-N 478.036 5.166 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)cc3F)CC2)cc1 1830011483 RDKRHUYJCUSXPI-HSZRJFAPSA-N 498.396 5.007 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1830416655 SDLPWYSHDHSZHC-CLOONOSVSA-N 499.055 5.231 30 20 JKED CCOc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830722515 KZVOCXYHKNWZEG-RUZDIDTESA-N 480.008 5.157 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1830778821 LXKPKOVRNSQGDD-AREMUKBSSA-N 493.648 5.035 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)CC1 1832563181 NEJHKOOQMZBFQL-LOSJGSFVSA-N 450.623 5.013 30 20 JKED COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1F 1832593901 ZEWKSDVAHNUECT-DFBJGRDBSA-N 477.580 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)c1 1832634303 UPFWEEKKXJHBKK-FDDCHVKYSA-N 498.549 5.275 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)cc1C#N 1832704884 XUCCSQCLVRYYJN-IZLXSDGUSA-N 499.655 5.309 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832712112 RLDOHCXIIKBARK-KRWDZBQOSA-N 468.413 5.030 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1832714745 KJZNVHDIAVUWOX-YCRPNKLZSA-N 486.415 5.167 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 1838671857 LUKASPGFKLNKMO-MRXNPFEDSA-N 486.962 5.183 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2[nH]c4ccoc4c2-c2ccccc2)C3)c1 1846828367 HGBSVRJWTWETOW-LJQANCHMSA-N 478.552 5.186 30 20 JKED Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](C)C#N)c2)C3)c2ccccc12 1847156217 YKAVRRSZYDRZTO-QFIPXVFZSA-N 465.597 5.225 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10168367 TVSYTKHSZQBMSV-UHFFFAOYSA-O 486.060 6.886 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccccc2F)C2CC2)nnc1-c1ccc(Cl)cc1 10240259 QZXBWWORCLCVIC-UHFFFAOYSA-N 456.974 5.207 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 11113720 OBXPIWMMYQAPOU-UHFFFAOYSA-O 499.672 7.254 30 20 JKED CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)Nc1c(Cl)cccc1Cl 11419718 OACOUOKCCODLEI-UHFFFAOYSA-N 479.433 5.095 30 20 JKED Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)o2)c1 11738582 VAIDDCAMLMURDA-UHFFFAOYSA-N 479.606 5.401 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1cccc(Cl)c1 15247963 PQNWWHYCQHWOFZ-UHFFFAOYSA-O 490.863 6.864 30 20 JKED C=CCn1c(SCc2cc(F)cc3c2OCOC3)nc2scc(-c3cccs3)c2c1=O 16663509 QTXIOSACWQQGLS-UHFFFAOYSA-N 472.588 5.670 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 18890428 IVHREHYVUUSNGN-UHFFFAOYSA-N 481.083 5.140 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 22422956 QZXIZKLBZSCREN-UHFFFAOYSA-N 461.056 5.454 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)NCCc1ccc(OC)cc1 22801452 NTHXBOBNTDTJQT-UHFFFAOYSA-O 488.460 5.623 30 20 JKED COc1ccccc1Nc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)s1 24957153 AHHJZPNUOKNLNP-UHFFFAOYSA-N 482.635 5.426 30 20 JKED Cc1nc(-c2cccc(Cl)c2)sc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 26846572 ITLMRUWICLVRHN-LBPRGKRZSA-N 471.991 5.378 30 20 JKED C=CCn1c(-c2ccco2)nn(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1=S 27534677 FGJSRIPPRXXQDA-UHFFFAOYSA-N 472.039 5.960 30 20 JKED C[C@H](c1nnc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccc(Cl)cc1)N(C)C 28893225 NFOOKZURHZCRSM-CQSZACIVSA-N 489.432 5.189 30 20 JKED C=CCn1c(S[C@H](C(N)=O)c2ccccc2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 45726674 QCIVNAUAZWICPX-SANMLTNESA-N 491.620 5.973 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 107958677 WDPRBZDLRICYPI-UHFFFAOYSA-N 472.504 5.076 30 20 JKED Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1Cc1ccco1 301904861 GQSIZUDCSWXCGJ-UHFFFAOYSA-N 463.950 5.151 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1 302999540 ZDFWXNXYCFTWMI-UHFFFAOYSA-N 487.478 5.840 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)cc2)cc1 303014796 KLBBMSITTPBXPB-UHFFFAOYSA-N 468.344 5.406 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cs1 303236582 ZRYZRNNVORJUNI-UHFFFAOYSA-N 471.607 6.447 30 20 JKED C=CCN(C(=O)c1cnc(-c2ccccc2F)s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 409940331 XOPSZZJTMOSFCN-UHFFFAOYSA-N 499.614 5.309 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(NC(=O)c4ccncc4)cc3)cc2F)c1 481569814 HGWSXUAAUJHKLO-UHFFFAOYSA-N 495.514 5.245 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CC2 481619197 BLMDRURSBJKLLH-UHFFFAOYSA-N 489.547 5.664 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482196197 YSACZOBUITUOLY-UHFFFAOYSA-N 475.570 5.086 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CC=C(c2cccc3ccccc23)CC1 486972178 LMZJRQHLLIOAPE-UHFFFAOYSA-N 474.520 5.153 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 487691107 SJLYFKFJMVNOMB-DEOSSOPVSA-N 491.494 5.393 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4sc5c(c4C#N)CCCCC5)CC3)c2c1C 495741042 CGYMTLVWTAZYSL-UHFFFAOYSA-N 465.648 5.365 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 498301292 MBPZAIXYYNXJHZ-UHFFFAOYSA-N 480.398 5.447 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 499085571 BPLNSZHIRWYWHE-UHFFFAOYSA-N 482.005 5.089 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510209553 KCTTZSIGDSULEB-UHFFFAOYSA-N 463.510 5.385 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)cc1Cl 510642313 ADIPEWQDHXNFHM-QFIPXVFZSA-N 479.005 5.483 30 20 JKED N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)CC2)cc1 511185871 KJOVSMYELOMQOZ-UHFFFAOYSA-N 467.598 5.108 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1nc2ccccc2[nH]1 513677020 OYNSCXZPAQJHHB-HXUWFJFHSA-N 458.481 5.106 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1 514449668 GRGFPNFNWSKZEI-UHFFFAOYSA-N 469.488 5.701 30 20 JKED C=CCn1c(SCC(=O)NCc2csc3ccccc23)nnc1-c1ccc(Cl)cc1 514577332 ONFXFGQJFZFYNK-UHFFFAOYSA-N 455.008 5.408 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)c2)c1 515216064 MBGCHKOMLDTTMD-UHFFFAOYSA-N 460.490 5.057 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)cc1 515787950 LZFWJWLPFDMDQB-JOCHJYFZSA-N 480.362 5.515 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 517336277 NSWAJSAZMQNTTE-DEOSSOPVSA-N 496.954 5.438 30 20 JKED CC(C)OCc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2ccccc12 517464064 BTXAGDOTUIRPSX-UHFFFAOYSA-N 464.572 5.626 30 20 JKED C=CCn1c(SCC(=O)N2CCc3cc(OC)ccc32)nnc1-c1ccc(Cl)cc1Cl 519915924 UBHOYGKFMQOYSO-UHFFFAOYSA-N 475.401 5.128 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 520136426 RPGMNDCKVGMDMC-UHFFFAOYSA-N 460.490 5.076 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnn(-c4ccccc4F)c3)s2)c(C(F)(F)F)c1 520176947 UYIOEFMMEGNLDL-UHFFFAOYSA-N 471.439 5.201 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 520191635 KQIOCRSYQDAZLL-ZBMXUVHHSA-N 481.621 5.433 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 520446668 TUEOQVPYEABORT-UHFFFAOYSA-N 473.426 5.797 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 520669383 UJCRTSOQWAIGCN-GOSISDBHSA-N 454.530 5.213 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(Cl)ccc2I)cc1 520889521 KXGPAPNDWRMYAV-QGZVFWFLSA-N 452.723 5.237 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 521517171 XAHCGDKEKBXNQQ-UHFFFAOYSA-N 472.307 5.340 30 20 JKED CC(C)Oc1ccc(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c(C(F)(F)F)c1 521526567 WZQMYLWUHDMSAZ-UHFFFAOYSA-N 454.342 5.419 30 20 JKED Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)n12 521719945 OFFPBXOZPNYAKM-MRXNPFEDSA-N 475.643 5.790 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 521746386 HILWGBXYLURLEN-CRICUBBOSA-N 493.654 6.197 30 20 JKED CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 523632247 DKGQHAFHGJYITM-UHFFFAOYSA-N 469.950 5.061 30 20 JKED CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 524422806 GRYMUOVRIXAULS-UHFFFAOYSA-N 476.920 5.484 30 20 JKED CN1CCc2nc3ccccc3c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c2C1 579692750 FTIDLJQDYXNQEU-UHFFFAOYSA-N 482.971 5.579 30 20 JKED CN(CCOc1ccc(Cl)cc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 599167604 KSCGNMZAEFZZIO-UHFFFAOYSA-N 479.989 5.093 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)c2)cc1 603828310 CEKQDRYLIJHDDT-QFIPXVFZSA-N 482.609 6.353 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)C4CCCC4)c3)cn2)cc1 604086930 SOGKQQZDTKQOKM-UHFFFAOYSA-N 455.518 5.196 30 20 JKED C[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604166893 IIGQRTVULVDPQF-OAHLLOKOSA-N 451.885 5.301 30 20 JKED N#Cc1c[nH]c2ccc(OC(F)F)cc2c1=NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604303519 JQAUHSACLFJQQD-GHMZBOCLSA-N 453.333 5.451 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)c1c(F)cccc1F 608932610 QLJVZJHRHVOUSB-LIRRHRJNSA-N 459.562 5.255 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(F)ccc2Oc2ccccc2)CC1 609022999 YXHUNLOJMSBAST-UHFFFAOYSA-N 472.476 5.593 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609072948 OOPGESWZGIPQDH-UHFFFAOYSA-N 470.960 5.905 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]c2ccc(Br)cc12 609114748 LNQXDOVVVISVDI-UHFFFAOYSA-N 460.331 5.942 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 609370652 KXONZWWAYQKYKJ-HNNXBMFYSA-N 469.661 5.390 30 20 JKED N#CCCSc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 609375389 NHLSCGMSGLOCNS-UHFFFAOYSA-N 483.553 5.634 30 20 JKED CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377497 WKRURNUZYFVGTJ-SIBVEZHUSA-N 459.615 5.414 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 609427547 JCMYFFUYIFHOQT-DLBZAZTESA-N 461.547 5.809 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](c1ccccc1)c1ccc(F)cc1 612806197 WUDUDZXWCLJHOB-GPMSIDNRSA-N 462.409 6.124 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc(C3CC3)nc21 613319195 VTIQNXXQASAPKH-GOSISDBHSA-N 461.978 6.157 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)o1 613403865 KISAQJQVPRQZBM-KRWDZBQOSA-N 457.440 5.676 30 20 JKED C=CCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 613718029 MLTVYRDTPSWDMN-LJQANCHMSA-N 463.361 5.200 30 20 JKED O=C(NCCc1cc(Br)ccc1F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620369301 ISDAWLQXBWMUQA-PJXYFTJBSA-N 479.234 5.339 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)cc1 624883836 JSJAMRXGVVTDLW-NPAAKHOSSA-N 481.596 5.168 30 20 JKED C=CCn1c(S[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)nc2sc(C)c(C)c2c1=O 639387088 NCJMISVFTVNSNV-NQIIRXRSSA-N 483.659 5.018 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1OCc1cscn1 642282218 VNDPOCUUMVGQBI-HNNXBMFYSA-N 489.500 5.849 30 20 JKED C=CCn1c(Sc2ncnc3sc4c(c23)CCCC4)nnc1[C@@H]1COc2ccccc2O1 669672257 GWOSWLUJDQPGLR-KRWDZBQOSA-N 463.588 5.011 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1Cl 726321533 LPMJSIDAWRETNA-INIZCTEOSA-N 493.894 5.381 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC[C@@H](C)OC 726391845 BZDKQBVDOVGRFS-HOYKHHGWSA-N 491.613 5.234 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726422452 XPYLQSDJEOCFQU-BUOZQURKSA-N 481.599 5.134 30 20 JKED CC(C)CC(=O)N[C@@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 727627856 IOBGUTZLBZTHAG-OXJNMPFZSA-N 459.493 5.395 30 20 JKED COc1cc(C=NNc2cccc([N+](=O)[O-])c2C)ccc1OCC(=O)Nc1ccccc1Cl 727972644 ARRVNIROOSJDTA-UHFFFAOYSA-N 468.897 5.029 30 20 JKED COc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1NC(=O)OC(C)(C)C 727989753 WEWJNVQPHRTTRM-UHFFFAOYSA-N 463.490 5.338 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 728186030 VCFWTSOBNSBYOQ-UHFFFAOYSA-N 491.576 5.229 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1Cl 728737330 LNKGGFYWUFAUOK-UGKGYDQZSA-N 473.882 5.869 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCCCC#N 728776304 OTRQZTNBAWVVMQ-HXUWFJFHSA-N 470.545 5.236 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ncccc2C)c1 729634547 NWJSMZQZGAIEMW-DEOSSOPVSA-N 483.597 5.039 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)c1 729888849 JKAXYNFHUMMNTF-CQSZACIVSA-N 463.740 5.287 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(C3CCC3)C2=O)cc1OC 730459204 IINIUTYOMMFSFV-XMMPIXPASA-N 489.597 5.370 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3cccnc3)C2=O)c1 730943517 FAJZYUJCIWPXQU-FDDCHVKYSA-N 474.586 5.120 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1Cc1ccc(Br)cc1 731030340 FCRMMWGEGZQJIB-YLJYHZDGSA-N 472.452 5.346 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731066071 QSSAGDSLWKTANN-MRXNPFEDSA-N 497.020 5.249 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccn2)cc1 731304956 CVXMLRFNXFWULI-XMMPIXPASA-N 488.613 5.290 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1ccc(C)s1 731308473 LFSIIHDHHPYKLL-OPAMFIHVSA-N 495.626 5.492 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(C2CC2)C1=O 743523730 BXWZHTFARMPRQW-NRFANRHFSA-N 455.555 5.046 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)c1 743523764 CUXJJKHPIZAZMI-KRWDZBQOSA-N 487.906 5.619 30 20 JKED CCOc1c(Cl)cc(C=NO[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC 749537796 HMPWRMOIMXVHNV-CYBMUJFWSA-N 455.338 5.095 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)cc1C 750776006 ORJBOIGFDZBGPD-UHFFFAOYSA-N 479.625 5.038 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2cccc(Br)c2)o1 767307658 HDMSYFKXGLWFSS-UHFFFAOYSA-N 473.124 5.064 30 20 JKED C[C@@H](OC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)C(=O)Nc1ccccc1C#N 769687869 BZJLATWITQWKIG-LJQANCHMSA-N 493.629 5.063 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(-c2ccco2)nn(CN(CCC#N)Cc2cccnc2)c1=S 798150883 NBARHSUIPUUDHG-WAGURGNTSA-N 462.623 5.440 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3sc(C)c(C)c3c(=O)n2C(C)C)cc1 832342190 POPFUDAVOIOKPY-GOSISDBHSA-N 468.648 5.392 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 837300292 DWFLYDFQEWPCQD-BVZFJXPGSA-N 498.583 6.095 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccc3F)C2=O)cc1 837744476 KIRPFDGXLLHZKE-HSZRJFAPSA-N 493.535 5.328 30 20 JKED Cc1cc(-c2nc(C)c(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)ccc1F 883977407 GREPBOPWMFKGCJ-WDNDVIMCSA-N 468.438 6.205 30 20 JKED Cc1csc(SCc2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc2)n1 901939296 SZLOQSKKGJGZBL-UHFFFAOYSA-N 495.680 6.012 30 20 JKED CS(=O)(=O)c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 914835907 RVPIWHDUVZDCOD-UHFFFAOYSA-N 450.951 5.042 30 20 JKED CC(C)c1ccccc1N=C1SCCCN1C(=O)C1CCN(C(=O)COc2ccccc2)CC1 914839495 ZERHRMIHYVJSPS-UHFFFAOYSA-N 479.646 5.081 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915353797 XIMPPGMOXKVVDT-FQEVSTJZSA-N 467.356 5.751 30 20 JKED CCOc1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)ccc1OCCOc1ccc(C)cc1 916154662 RGMRCULSQMJUBE-JJIBRWJFSA-N 466.603 5.354 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 916209113 FCFHZJIVQNXYIG-FQEVSTJZSA-N 477.989 5.174 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 916217359 LLISEBRJRCSNMA-QFIPXVFZSA-N 483.540 5.115 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916901587 LONCJQCMRBMLSN-CYBMUJFWSA-N 481.986 5.956 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)COC(c1ccccc1)c1ccccc1 916903432 SOQOGCRTZFFYRL-FQEVSTJZSA-N 462.933 5.111 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905266 JUKIIIPBTIZYIP-OAQYLSRUSA-N 467.550 5.796 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916906177 RIGQQPUYRLERAF-SFHVURJKSA-N 495.585 6.778 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C 916921739 AHLDNKITRZQRIQ-QGZVFWFLSA-N 469.950 5.044 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916945843 FXMNEYNIJZOTFL-LJQANCHMSA-N 474.369 5.406 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 916954494 IJDDMBPFQOYCKN-FDDCHVKYSA-N 465.557 5.593 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 916956016 WVDPJVFDVIOGOA-AUUYWEPGSA-N 468.966 5.343 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)cc1 916973036 SCEKUXMTHAHHRO-DNQXCXABSA-N 465.578 5.336 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1ccccc1C 916976928 XMPVPFUUOGEZCT-IBGZPJMESA-N 494.045 6.019 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc2cc(C(F)(F)F)ccc2s1 917043731 OBHJCJXPJJUXDC-FPOVZHCZSA-N 492.478 6.259 30 20 JKED Cc1cc(C)n(-c2ccc(CC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc2)n1 917043787 NRJVKOKDAVSFSU-SFHVURJKSA-N 454.477 5.537 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc2cc(C(F)(F)F)ccc2s1 917045230 YMTITCHUJXIGNF-HNNXBMFYSA-N 474.439 5.703 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C(C)(C)C)CC2)c1 917669023 LJXNGRQCCYXEJC-HSZRJFAPSA-N 478.662 5.218 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 917701978 SGKAHRDEYLAIGZ-BVZFJXPGSA-N 498.583 6.095 30 20 JKED COc1cc(/C=C\C(=O)N(Cc2ccccc2)c2ccccc2C#N)ccc1OCc1c(C)noc1C 918585072 WHFKJCJHVPOLIL-PEZBUJJGSA-N 493.563 5.997 30 20 JKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)cs2)cc1 918711497 ZEHCAOHKCCKANE-UHFFFAOYSA-N 476.414 5.767 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 920869955 QPRHPZITPSVMAR-YCRPNKLZSA-N 492.016 5.339 30 20 JKED CCOc1ccc(NS(=O)(=O)c2cc(N=Cc3cc(Cl)ccc3O)ccc2OC)cc1 920943195 RWKJFGPKAKOMGK-UHFFFAOYSA-N 460.939 5.004 30 20 JKED CC(C)c1nc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)co1 1785796373 YYZWTAVYCNNRBD-UHFFFAOYSA-N 456.546 5.050 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OCC(F)(F)F)c(F)c4)CCC3)cc2)C1 1785808044 JDPRZVIIALPLSI-UHFFFAOYSA-N 476.470 5.481 30 20 JKED COc1ccc([C@@H](C)C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(OC)cc4C#N)CCC3)cc2)cc1 1786037925 URPDOLSHKYVFPA-HXUWFJFHSA-N 497.595 5.056 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3Br)cc2)CCC1 1786629078 OLGYEGZLDOYMRM-UHFFFAOYSA-N 491.426 5.184 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c1 1788649159 BZRMCOMHLCEYDA-WYMLVPIESA-N 483.593 5.126 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3ccc(F)cc3)CCC2)cc1 1788649520 PREZOUUQXLBQGO-OUKQBFOZSA-N 462.546 5.003 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)cc2)CCC1)C(F)(F)F 1788683444 NFRZJUDWKYONAX-UHFFFAOYSA-N 485.462 5.216 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1789458212 QDHCVQRDYAWBDH-IXQRDTAUSA-N 493.648 5.288 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CCC2)cc1 1789497971 BTQXCDBUORZANU-YVWKXTFCSA-N 466.544 5.062 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)cc1Cl 1790611927 OIFVTRHLOMOFHL-MUFRIFMGSA-N 493.991 5.587 30 20 JKED Cc1cc2cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(F)c(C#N)c5)CCC4)cc3)ccc2[nH]1 1790989089 VFORFRNOSFLPBH-UHFFFAOYSA-N 480.543 5.478 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791407217 QVXZDZIJESDPBW-SKCUWOTOSA-N 493.648 5.146 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1F 1791968924 CFYOQJVOPFOVKG-LJQANCHMSA-N 485.559 5.452 30 20 JKED CC(=O)Nc1ccccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124228 PXRVYBSTUQJYBZ-IBGZPJMESA-N 480.568 5.334 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCSC4)CCC3)cc2)cc1C#N 1792168631 CDXHITQSLSAJRD-FQEVSTJZSA-N 477.630 5.236 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCCCC(=O)OC)C2 1793053453 NTJFMPWHDSZKEF-QEIWAGNOSA-N 474.686 5.467 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCc2ccc(C(F)(F)F)cc2)cc1 1793517321 PBWKVFCIBBDOEM-BKFWDETESA-N 483.534 5.046 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(C)C)c(C#N)c1)C2)c1ccccc1 1795574263 HGHZTABKQHFLBW-HLSNPBEDSA-N 487.644 5.427 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Sc1cccs1)C2)c1ccccc1 1798554752 WZPOOFCBODIVHM-LCNLMQJVSA-N 466.672 5.064 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3)nc1)C2)c1ccccc1 1798555257 FJOOODLKYWSDRN-PUHABZHSSA-N 477.608 5.198 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2c(Cl)c1OC 1799332509 KDOKKVSSHBRHHX-WKCHPHFGSA-N 467.009 5.522 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1801207641 XGKWHDVFYRQJNG-BCDXTJNWSA-N 455.580 5.054 30 20 JKED CCCCCc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/C(=O)c2cccs2)C3)cc1 1802144732 WSJAZIWSEKWYAG-QBQZLBCUSA-N 478.658 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 1802229135 MLHMZUMTKOUZJN-CIAFKFPVSA-N 460.540 5.144 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2Cl)N(C)C)[C@@H]1c1cccnc1 1802500132 KSFHWFVPYJVCOA-FTBPSBKWSA-N 497.083 5.036 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4ccc(-c5ccccc5)nc4)CC3)C2)cc1 1804758140 XEPPNUVRLKHDCM-UHFFFAOYSA-N 492.623 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4cccc(OC)c34)CC2)C1 1804866533 FLMGSWCWACYGEZ-UHFFFAOYSA-N 451.611 5.014 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OCC4CC4)cc3F)CC2)C1 1805457583 HMRCZXANVSWLFK-UHFFFAOYSA-N 468.613 5.228 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1809214176 GTXGMGSEBFGFOF-CTVOUCONSA-N 496.655 5.389 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cc3ccccc3o2)[C@H]1c1cccnc1 1809491993 VGMRORDNLRNFNI-QPGRZUOQSA-N 471.601 5.539 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)CC1 1809632436 SVRSZEAPVOWQBT-PPKJMBTNSA-N 475.677 5.364 30 20 JKED Cc1cccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)[nH]c12 1809746614 CJVQWYDWJQRBDQ-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1810172211 KWGXZXIDRPLNLH-LGVFNWMJSA-N 477.605 5.523 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc(C#N)nc4C(F)(F)F)C3)CC2)CC1 1810345510 KLWVPGOVTFSSAQ-WGSAOQKQSA-N 490.570 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)[C@@H]1c1cccnc1 1810494692 KGOALXHSEJTPLH-NAYZPBBASA-N 488.676 5.144 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1813049787 BJXSVYPJXUFXBC-KCWPFWIISA-N 492.063 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1813964166 JMRYDEQOVMLCJT-KKLQWCBXSA-N 489.513 5.328 30 20 JKED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1)c1ccc(Cl)cc1 1814659573 CSGIHHSRKZXZSE-OYHNWAKOSA-N 479.943 5.183 30 20 JKED CC(C)(Cc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1814787465 CTMAWYANOZKSEZ-XMMPIXPASA-N 469.589 5.051 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)ccnc2Cl)n[nH]1)c1ccccc1 1816045364 GASASIXVDDMRNP-NQIIRXRSSA-N 493.970 5.100 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1816464543 IUFRGSJQAFZWBZ-SBUREZEXSA-N 487.604 5.855 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817742486 QUKGNDNALQOZRY-AUSIDOKSSA-N 457.578 5.298 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)c2ccccc2n3CC)n[nH]1 1820226480 YTUHZSKBXSZICU-NIYFSFCBSA-N 499.615 5.435 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1)c1ccccc1 1820547403 SPJVQBMHWLBQLL-NOZRDPDXSA-N 455.562 5.027 30 20 JKED CCOc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1820650803 DERGWKLVYBAYAM-MHECFPHRSA-N 471.561 5.055 30 20 JKED COc1c(C)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1C 1821227687 CPUYMJWWNIKQID-CYFREDJKSA-N 485.588 5.282 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C(C)=C/c2ccc(OC)cc2)n[nH]1 1821748895 JHOYAVLIAVIMOD-PPIOEHGWSA-N 462.594 5.282 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1 1821789619 GKMZYIUDAFRWBE-FQEVSTJZSA-N 461.393 5.145 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1821918765 NNPBQPCDDDAZMW-UWJYYQICSA-N 458.990 5.127 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822021131 ZUPMAHAHQNEMNB-BESBDSHLSA-N 468.718 5.279 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Br)c(C(F)(F)F)c2)[nH]n1 1822401294 JCYKPCCDURBXEF-MRXNPFEDSA-N 485.304 5.073 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)[nH]n1 1822584582 WGKXRMPDTWFGHJ-OAQYLSRUSA-N 496.409 5.153 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3c(F)cccc3Cl)[nH]n2)c1 1823210885 JQMCDEQCXSVWCA-QMHKHESXSA-N 493.970 5.378 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)[nH]n2)cc1C#N 1823295038 XJTNWCLTEVYFLI-JBRSBNLGSA-N 497.599 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(NC(C)=O)ccc2Cl)n[nH]1 1823328347 VGMZABFIGQWLCW-GCJKJVERSA-N 484.000 5.096 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1824539517 CPCRXQGHYVQPFO-NVQXNPDNSA-N 493.673 5.616 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)cccc2C)CC1 1824761611 BFAXFKRNJXIDJO-DNQXCXABSA-N 497.680 5.006 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1824958521 ZSDXJAGNWZQVSX-HSZRJFAPSA-N 493.698 5.602 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)cc(C(F)(F)F)c1 1826530289 MLCPUIYJBXASEQ-YHZGQTRVSA-N 495.545 5.524 30 20 JKED CNc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1826851536 CXJGEVOEYDZWGJ-VWLOTQADSA-N 467.730 5.013 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1Cl 1827684455 CFRIRUWHONQVRQ-RQWLHQTBSA-N 485.049 5.382 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827854908 QJFBUXZQTPZJEU-FPOVZHCZSA-N 466.544 5.609 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)C4(C#N)CCC4)CC3)cc2n1 1828497529 CXGJXKPYQHZDSV-DEOSSOPVSA-N 479.024 5.124 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)[nH]c12 1828549628 QFHUEUDOQKGFCS-SANMLTNESA-N 468.601 5.090 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 1828827737 TWGKQVMNURAPFD-LADGPHEKSA-N 468.638 5.014 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829409216 JQVBTIUAJZIDKG-FPOVZHCZSA-N 497.989 5.756 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)c1 1830025710 SNGZIYJFFDQAKK-VWLOTQADSA-N 464.009 5.078 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1830446176 IEWYAXTXDITCKU-CUNXSJBXSA-N 487.644 5.384 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2CSc2ccccc2)CC1 1830708287 RCGVWDVGFCQXLJ-RUZDIDTESA-N 461.631 5.126 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)n1 1830720710 WDQQOEAZZHTXOI-JOCHJYFZSA-N 485.053 5.339 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ncccc34)CC2)c(Cl)c1 1830721711 MRLMSANYIRDKRM-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(Cl)ccc3Br)CC2)C1 1831320209 TZOGYLBOVQSKMH-JOCHJYFZSA-N 493.873 5.231 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1831375200 PRWLFISHTHGNMA-YKSBVNFPSA-N 473.617 5.873 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1831520963 RLIXNVWMXXECOH-MUUNZHRXSA-N 471.645 5.052 30 20 JKED CCOc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832634027 QVDBUJODEFDIEO-QFQXNSOFSA-N 473.617 5.259 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCOc3ccccc3)CC2)c1 1832635286 YYZXBGIPBUKPNS-AJTFRIOCSA-N 473.617 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)CC1 1832680225 HSFQFWJBJNSYLG-HHHXNRCGSA-N 464.650 5.477 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccc(C)cc4s3)CC2)CC1 1838373587 XXVSTUQXODUAKF-DEOSSOPVSA-N 480.674 5.590 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)c3cc(C#N)cc(C(F)(F)F)c3)c[nH]2)cc1 1848313040 GWUOARCBTDQSMJ-ZEQRLZLVSA-N 492.501 5.010 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 2625937 ZNDPILXYRXDATQ-JOCHJYFZSA-N 490.471 5.359 30 20 JKED CCCCn1c(SCC(=O)Nc2sccc2C#N)nc2scc(-c3ccc(F)cc3)c2c1=O 9357191 BCUJCTQUERDSSO-UHFFFAOYSA-N 498.630 5.728 30 20 JKED C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 9570800 YOEQSLGAUHIKRA-SFHVURJKSA-N 480.037 5.335 30 20 JKED COc1cccc(NC(=O)[C@@H](OC(=O)c2cc(C3CC3)nc(SC)c2C#N)c2ccccc2)c1 10711268 BOXPRLYOSSIOCD-QHCPKHFHSA-N 473.554 5.098 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc3ccccc23)cc1 11126330 DMPNJFXBZQPJPY-UHFFFAOYSA-O 489.611 7.360 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2cccc(C)c2)c1C 11127907 AZVMYJOOWYZMSF-UHFFFAOYSA-O 486.617 5.608 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)c3cc(C)n(-c4cccc(SC)c4)c3C)cnc21 12515270 FLDALJBZHQYLKN-UHFFFAOYSA-N 482.656 5.187 30 20 JKED Cc1ccccc1-c1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)c2cnn(C(C)C)c2n1 14362329 DAQLZSXGNJNOCC-GOSISDBHSA-N 467.529 5.043 30 20 JKED N#Cc1cccc(NC(=O)COC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 18493991 QHFUEWZYLFGERH-UNOMPAQXSA-N 498.520 5.189 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1 21925868 IBXUFPYZPZUDAA-UHFFFAOYSA-N 458.996 5.219 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1 24014436 ZJRGLJCSKWMBSJ-FQEVSTJZSA-N 471.586 5.572 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 29840940 XDGQZXODTGCWCE-CQSZACIVSA-N 495.407 5.459 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)C2CCCCC2)ccc1Cl 36022500 XWPOUUWYFCLTAR-UHFFFAOYSA-N 464.990 5.265 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1ccccc1 39221654 YFOFTCPYUREOPC-DEOSSOPVSA-N 470.598 6.002 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)cc1 195652803 YQUIPSVGNDDIHU-VWLOTQADSA-N 495.579 5.695 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccccc1F 216868039 DEWCGRXAJGFPPF-ZDUSSCGKSA-N 479.562 5.682 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1Cc1ccco1 255115575 WOQLJGRUBHVNMD-HXUWFJFHSA-N 498.402 5.511 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccccc3CSc3nc4ccccc4[nH]3)CC2)c1 303247962 MFRJFCJHQXCQJG-UHFFFAOYSA-N 468.582 5.410 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)c(-c4nnc5n4CCCCC5)c3)c2)cc1 482079059 RTUFHXRHAJWKQP-UHFFFAOYSA-N 467.504 5.727 30 20 JKED Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483635913 PIAJQFAQUBXJIH-UHFFFAOYSA-N 457.555 5.100 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1[N+](=O)[O-] 497388574 UNERCIPFHQXBFE-KRWDZBQOSA-N 469.501 5.025 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N(CCC#N)c1ccccc1 499849048 HLLJVTZJIJJTDC-GOSISDBHSA-N 456.546 5.863 30 20 JKED CCCOc1ccc(Oc2ncccc2CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 501695161 PIKVDBYIOOFSAZ-UHFFFAOYSA-N 476.602 5.263 30 20 JKED C=CCN(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502935933 WTHPMMFBXLMSQX-UHFFFAOYSA-N 466.350 5.058 30 20 JKED C=CCN(C(=O)c1csc(-c2cccs2)n1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 503152887 BBUSGXUIZCQWMU-UHFFFAOYSA-N 487.653 5.231 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)cc2Cl)c1 503373037 NGBFVUQUJZCBFA-AREMUKBSSA-N 468.944 6.097 30 20 JKED CCOc1cc(Br)c(CC(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)cc1OCC 509555714 BBHBGJXRTKAAHP-INIZCTEOSA-N 459.384 5.270 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)N(C)C)c1 510023827 PEOSQMVVWSMJQD-UKILVPOCSA-N 462.981 5.428 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 510230184 RLZOCKLYKGEJSW-NHCUHLMSSA-N 455.558 5.521 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OCC(F)(F)F 510518839 QWVNFQZBEKXEGF-UHFFFAOYSA-N 471.435 5.622 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2Cc2ccccc2)cc1Cl 511501489 WLERWZYSZLUGMO-LADGPHEKSA-N 457.961 5.168 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cc1Cl 512198175 UPNDHANZSCRJFN-FYYLOGMGSA-N 463.990 5.229 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c([N+](=O)[O-])cc1OC(F)F 513307501 VLTPJJOCYJSUSK-JTQLQIEISA-N 481.383 5.097 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccc(COc3ccccc3Br)cc2)nc2ccccc21 513656064 XCQGFBMSEFUMDP-GOSISDBHSA-N 460.331 5.405 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2COc2ccccc2)cc1 513861904 OQPXJBCVSSHKBI-UHFFFAOYSA-N 465.528 6.511 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CSc3nc4ccccc4o3)s2)c(C(F)(F)F)c1 514117032 PMGHFZRGWZHAOU-UHFFFAOYSA-N 474.489 5.496 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1)c1ccccc1 516713668 GIOBCEFOHSYWCD-JTSKRJEESA-N 450.523 5.707 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)n1 517923815 LAMMWHVCHNQZQS-OAQYLSRUSA-N 484.581 5.339 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1 518499918 ZLUXRCYIIBUYGB-UHFFFAOYSA-N 491.385 5.335 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(-c4ccc(OC)cc4)nc3C)n2)cc1 518516554 KINBUKAAIQXSSR-LJQANCHMSA-N 461.568 5.749 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccccc4S[C@@H](C)CC#N)nc(O)c23)C1 518743149 OOPXCWLANZYAME-GJZGRUSLSA-N 466.632 5.487 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1Cl 519414859 ZXSVDHGTFVHWMH-AWEZNQCLSA-N 458.012 5.212 30 20 JKED COc1ccc2c(C)cc3nnc(SCC(=O)Nc4ccccc4SC[C@H](C)C#N)n3c2c1 519415735 UGJBXLDJXAIPLF-OAHLLOKOSA-N 477.615 5.182 30 20 JKED CC(C)N(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1S[C@H](C)CC#N 520940581 YJAAIQSSXLLUFS-OAHLLOKOSA-N 464.404 6.425 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)c2)c1 521281150 MHJGKICLLHEVPJ-UHFFFAOYSA-N 495.560 5.037 30 20 JKED CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 521475036 NMAIMMIBYMMDPS-QFIPXVFZSA-N 467.978 5.399 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(OCC(F)(F)C(F)F)nc3)c2C(F)(F)F)c1 521492608 XIPWBHTYJNZKSH-UHFFFAOYSA-N 476.352 5.126 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 522474330 QEZIPKDBRCSSJE-MRXNPFEDSA-N 472.476 6.090 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4nc(-c5ccccn5)no4)CC3)c2)cc1 552279751 DXENCNDDVTXISP-UHFFFAOYSA-N 466.501 5.207 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CC)c2nc3ccccc3[nH]2)nnc1-c1ccc(Cl)cc1 589414427 PLDYSOWDWFWDTI-KRWDZBQOSA-N 466.998 5.020 30 20 JKED C=CCN(C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 596293501 BWZOKONNUAGQIL-RBUKOAKNSA-N 450.612 5.183 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCCN(c4nc5ccccc5s4)C3)s2)cc1 603674396 YWQBJZPIMLIOQD-KRWDZBQOSA-N 492.655 5.167 30 20 JKED CCN(C(=O)c1ccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)s1)[C@H](C)c1ccc(C#N)cc1 603737817 VAWUTEDQHIOXAT-WOJBJXKFSA-N 484.625 5.938 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)o1 603963312 IREBNSKKPRSRAK-NRFANRHFSA-N 499.445 5.119 30 20 JKED CC(C)c1ccc(CN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C2CC2)cc1 604162799 WCVMZUMZFAUQNG-UHFFFAOYSA-N 467.569 5.390 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc12 604241859 RODJLFNJAXPFJS-UHFFFAOYSA-N 463.291 5.250 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2cc3sc(Nc4ccccc4C)nc3s2)cc(OC)c1OC 609007222 JBJYFALQZNYCHS-MRXNPFEDSA-N 494.598 5.430 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCCN1C(=O)c1cccs1 609061050 IIXZHRGGDYQFTJ-HSZRJFAPSA-N 459.571 5.141 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 609402923 URACYVNKFNKVQA-QMHKHESXSA-N 481.980 5.575 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 609404198 JASDLVSNOKAYFD-AZUAARDMSA-N 489.563 5.567 30 20 JKED CCC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)Nc1cccc(N2CCCC2)c1 609435379 KTCOOHUEFZDVTQ-AUSIDOKSSA-N 479.650 5.610 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cccs2)cc1 609436133 VHQSFVGFLQONDH-XHNVNVPESA-N 491.682 6.500 30 20 JKED COc1cc2cc(C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)[nH]c2c(OC)c1OC 613394339 RVSMXAZNCNLNGJ-NJTMKHSVSA-N 491.613 5.608 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OCC 613405014 ZNVKDKDZNZKJMJ-OAHLLOKOSA-N 461.896 6.152 30 20 JKED O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301974 ZOGWNVUGBISUFK-TXEJJXNPSA-N 492.420 5.338 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622092898 KZPCQMSFIDJABW-BSLXNSKLSA-N 464.372 6.317 30 20 JKED CCCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 622209791 JVBJYNVQFNIRPF-UHFFFAOYSA-N 450.354 5.241 30 20 JKED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281847 UBALUGYUBOHIRN-MRXNPFEDSA-N 454.342 5.247 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 684254621 BTIHDIPQVOCZQU-MHZLTWQESA-N 485.657 5.690 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1cnn(CC)c1 726119192 TVDUIPTWOAYXCM-FQEVSTJZSA-N 492.045 5.024 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1ccccc1Cl 726320109 SKRIFRPKXNAMNZ-HNNXBMFYSA-N 463.868 5.372 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCCC2)cc1F 726413199 WKCBXPALNYTPND-OAQYLSRUSA-N 455.555 5.046 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCOC(C)(C)C)C2=O)c1 726421160 LITMMHVRHBOUEI-HJRKGTFPSA-N 487.691 5.570 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726421903 QLAUUIGTBIFVAJ-SYGSHIDXSA-N 474.611 5.210 30 20 JKED C#Cc1cccc(NC(=S)NC[C@@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)c1 726446980 NRLOFLGLYIBPCR-QHCPKHFHSA-N 469.610 5.675 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cc4ccccc4nc3N3CCOCC3)s2)cc1 727975278 RQOSQHVDLRAGGP-XFXZXTDPSA-N 471.582 5.408 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)N1c2ccccc2Sc2ccccc21 728109737 CKEVVWYAPUVEAZ-GOSISDBHSA-N 496.544 6.105 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 728776677 DHXLGIPGZBFFDY-LJQANCHMSA-N 494.926 5.411 30 20 JKED C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1C(F)(F)F 729430864 CSRAJHVVPLCXMD-SECBINFHSA-N 473.291 5.927 30 20 JKED CN(C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1)C(=O)OC(C)(C)C 729570331 XIYHZZJSAPVHOB-FQEVSTJZSA-N 499.011 5.511 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1c(C)cccc1C 729630958 IBWZDMDFEADGTO-JOCHJYFZSA-N 458.587 5.167 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(C2CCC2)C1=O 730462585 ZFYGDQKWEMHLGL-QFIPXVFZSA-N 451.592 5.297 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSCCS(C)(=O)=O)c3C#N)C(C)(C)C2)o1 730465755 RXXBQHKZPMLDJA-VURMDHGXSA-N 490.672 5.016 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ccc3[nH]c(C)c(C)c3c2)c1 730713302 RLAONLLMZWDEAI-QHCPKHFHSA-N 498.612 5.044 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730716220 QBZLWOGGVNUMPD-OAQYLSRUSA-N 498.992 5.060 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 731075004 UPLNFZDITGIMSQ-IBGZPJMESA-N 488.613 5.324 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cc(C)cc(C)c2)cc1 731305861 HGBJJINQHCLBIN-DEOSSOPVSA-N 489.597 5.178 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 732637527 HUIYERYRBWKVMD-LJQANCHMSA-N 462.933 5.221 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccc4)nc4cc(F)ccc34)CC2)c1 749147313 JPBBIVKVDOEZRZ-UHFFFAOYSA-N 478.527 5.403 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1=S 749670574 BBGKQTNHEMPUQU-DHIUTWEWSA-N 497.709 5.260 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)[C@H](C)c3c(C)noc3C)c2C#N)C1 750270118 NJDHNBHIXIZSRE-CZUORRHYSA-N 457.596 5.051 30 20 JKED CCc1nc2ccccc2n1N=Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 767372488 BTIVDRJALARDET-UHFFFAOYSA-N 496.489 5.526 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3cc(=O)c4ccccc4o3)c2C#N)C1 792550205 WJKSXWUVFOIWAZ-OAHLLOKOSA-N 478.570 5.063 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CC(F)(F)F)C2=O)cc1Cl 799218588 CAUIPJOQULHPBK-INIZCTEOSA-N 473.879 5.310 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)cc1 838086671 SDFQNOZPEZPMGN-DVECYGJZSA-N 488.613 5.429 30 20 JKED CCc1cccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3C)=C2C)c1 910349719 FJYUQKDOVLFNPP-AREMUKBSSA-N 466.610 5.778 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H](C)c2cc(C)sc2C)C1=O 914690807 FUOXQJOUYIFOFE-SJKOYZFVSA-N 483.631 5.508 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 915085872 GBCJQQJHRVBUJE-OAQYLSRUSA-N 471.969 6.562 30 20 JKED N#C[C@@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2cc(C(F)(F)F)ccc2s1 915104111 KWSYLKHBQGSKCA-APPDUMDISA-N 481.908 5.648 30 20 JKED Cc1cc(-c2csc(NC(=O)CSCC#N)n2)c(C)n1-c1cccc(C(F)(F)F)c1 915135524 GJTPPHXMBWWVQP-UHFFFAOYSA-N 450.511 5.432 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)COCC4CC4)c3C#N)C(C)(C)C2)o1 915541027 VLSYDXUCAPIBOI-CLFYSBASSA-N 480.586 5.208 30 20 JKED Cc1oc(-c2ccccc2)nc1CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916908700 NNEFILSWCJUCAJ-OAQYLSRUSA-N 451.482 5.332 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 916909271 LMQODLZWLNRGIX-FQEVSTJZSA-N 495.926 5.354 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)c1 916917946 LQDBHOKYYUZCKM-OAQYLSRUSA-N 454.555 5.082 30 20 JKED COc1cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1c(C)noc1C 916936224 DSFXXZWGWMEPMK-MSEQUDFZSA-N 497.910 5.032 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)SCC(=O)Nc3ccc(F)cc3)n2)cc1 916974775 PWWOJWZHVUYWCM-HNAYVOBHSA-N 453.564 5.194 30 20 JKED COc1cccc(CO[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916995764 FJHDRXBUKMRXMP-SCLBCKFNSA-N 461.370 5.907 30 20 JKED COc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1NC(=O)OC(C)(C)C 917108205 CYLZTXLXQHBMGU-UHFFFAOYSA-N 463.490 5.338 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl 917525382 WULXUHTYQZKEGX-UHFFFAOYSA-N 461.008 5.055 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(Cl)cc1Cl)[n+]1ccc2c(c1)CCCC2 917612701 CMECRXOWGSSZNR-UHFFFAOYSA-O 481.428 6.355 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F 917664450 PDGPTVOBMOVZAP-NRFANRHFSA-N 496.495 5.034 30 20 JKED Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc12 917802934 ANCLJOZWTBMEGG-UHFFFAOYSA-N 473.536 5.626 30 20 JKED COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(OCCCC#N)c2)ccc1Cl 918331013 GPJOZGWKTCLNTN-UHFFFAOYSA-N 499.976 5.084 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920105534 HRRCZTXWOPTXRR-GOSISDBHSA-N 459.502 5.443 30 20 JKED Cc1ccccc1-n1ccnc1SCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140354 FJPFOCVYLQHTAC-IBGZPJMESA-N 455.568 5.144 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1 920142697 MDJXOEIHTPGCDX-FTLNNBPESA-N 491.657 5.352 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2)c1 920265487 PBZIFZCRALHZKG-OAQYLSRUSA-N 489.578 5.080 30 20 JKED C[C@@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)N1CCC[C@@H]1c1cccs1 920636353 WDDAJMQRMHDDMW-WZONZLPQSA-N 460.555 5.108 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)cc1 920782719 FMRVVSQHEDCTQD-QHCPKHFHSA-N 482.422 5.502 30 20 JKED CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 920783990 WSQHKXLBBRONMJ-VWLOTQADSA-N 480.534 5.957 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC(F)(F)F 921261445 PPMBCQWGBWQBPR-HWKANZROSA-N 460.748 5.002 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4-c4cccc(C)c4)CCC3)cc2)C1 1785806799 WLBCJGAPYWSEFE-UHFFFAOYSA-N 451.570 5.771 30 20 JKED O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1787769913 HRKARCKBQLAACM-OKCVXOCRSA-N 483.490 5.094 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787950570 DDWFWNDCRWHVNF-OEMFJLHTSA-N 479.571 5.710 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c[nH]nc5c4)cc3)CCC2)cc1C#N 1788451436 OKYIDDDIXWEOCT-UHFFFAOYSA-N 493.567 5.283 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)cc(O)n1 1788596520 VHCKMWKQFCXQPW-UHFFFAOYSA-N 494.473 5.048 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)cc1 1788788466 YJHABGUGTHXJLK-UHFFFAOYSA-N 464.447 5.034 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)c(F)cc5[nH]4)cc3)CCC2)cc1 1789229187 BWWTWQXVPSVJEA-UHFFFAOYSA-N 484.506 5.308 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789449167 OPISBBKAIQHKLH-UQAQOTMJSA-N 493.648 5.287 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1789514128 ICWNBKBWQFWQPD-STBIYBPSSA-N 477.996 5.041 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)cc2)CCC1 1789529380 GTVLMZCZJGEVRU-ACRUOGEOSA-N 454.542 5.220 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4snnc4C4CC4)CCC3)cc2)c1Cl 1790083611 ANALRKJVPMOMAG-UHFFFAOYSA-N 477.977 5.002 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4Cl)CCC3)cc2)c1Cl 1790083872 OGLWPHMBOGNVEN-UHFFFAOYSA-N 465.340 5.322 30 20 JKED CCSc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3)CCC2)cc1 1790210265 KWRFWJLGHWMCLB-UHFFFAOYSA-N 456.571 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790549122 LVTUWNANVYRFFZ-FYYLOGMGSA-N 483.653 5.582 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)c1 1790794924 GBNSLHPZDCFXID-UHFFFAOYSA-N 454.555 5.242 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)cc2)CCC1 1790989454 VKIOEUZRPJRTNN-HXUWFJFHSA-N 490.551 5.055 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)Cc3cc(Br)ccc3Cl)cc2)CCC1 1791198744 WDAZUFAKOQANQV-ZDUSSCGKSA-N 481.843 5.097 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791250470 QRTKNSFGSHEDOB-RTWAWAEBSA-N 497.680 5.616 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)CCC2)cc1 1791253277 ABSARLLYIAXOCT-MRXNPFEDSA-N 470.495 5.313 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4S)CCC3)cc2)c1 1792122714 UYDXOMYWNSYCON-KRWDZBQOSA-N 456.571 5.059 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)c5nncn5c4)CCC3)cc2)c1 1792124853 MPHYDSJPFKSIPR-QGZVFWFLSA-N 498.974 5.071 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)c1 1796464209 PAFOSEJVOWQCTI-YEHREXKJSA-N 478.596 5.250 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)c1 1798417678 YXYBLHMCVQJVET-QEIWAGNOSA-N 487.720 5.360 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(C(F)(F)F)c1)C1CCC(C(F)(F)F)CC1 1800396993 IYOOTRIOHDVFOV-ZNTSHMBDSA-N 494.451 5.465 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)cc(OC)cc2C)[C@@H]1c1cccnc1 1802501148 TVOYONAXTDLYED-WIOPSUGQSA-N 463.622 5.019 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cccnc3s2)[C@H]1c1cccnc1 1802503560 QBFXHKLVIONRCF-UNMCSNQZSA-N 462.619 5.003 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C#N)cc3)C2)CC1)c1ccccc1 1804942998 RUJBPILUKWANQV-QDPGVEIFSA-N 471.645 5.162 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807845539 JWQDGTYUHXNRGI-LEAFIULHSA-N 496.655 5.764 30 20 JKED CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)s1 1808802386 LMNSRNBGKZOLRK-CYFREDJKSA-N 490.604 5.085 30 20 JKED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1809511518 OKIRTSRZAUIWFP-UHFFFAOYSA-N 460.603 5.045 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)cc1 1809759167 VFCYFJZSTDWIHD-YKSBVNFPSA-N 486.622 5.057 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CSc2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1810448112 ZNFGQILXTPRRSE-WBJKNQCFSA-N 497.664 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@H]1c1cccnc1 1811207622 RDNWKBMICXYEEK-SHQCIBLASA-N 482.628 5.456 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)n3ccccc23)[C@@H]1c1cccnc1 1811264001 JHUXEQSJWFCQNZ-RNAHPLFWSA-N 490.607 5.124 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4ccc(CC#N)cc4)[C@H]3c3cccnc3)sc2c1 1811365584 XJUKQYQEMOIVNI-RPLLCQBOSA-N 494.620 5.304 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c1Cl 1811421454 ZUVXJLWBUINLRZ-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1811442991 WJNIPQPBUDSQKK-RDGATRHJSA-N 493.529 5.419 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1811716732 RFZSJVHLHPESDI-AVRDEDQJSA-N 474.432 5.700 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1812672581 JFEOEMFQCJIDGY-JYFHCDHNSA-N 489.566 5.588 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1)C(F)(F)F 1812682404 OTFZYERBMUUONR-NNWRFLSQSA-N 493.957 5.299 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1812759955 SZJQCLFUNWGSGL-MPPVQRIUSA-N 480.612 5.140 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@H]1c1cccnc1 1813050044 KQNZFEXFAIWEAM-FIPFOOKPSA-N 487.550 5.150 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1813937273 DEHJDBMUWUEHBM-MBSDFSHPSA-N 473.951 5.101 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1813964960 JFYKSBZBUIYZAK-NOXFTYBFSA-N 489.513 5.328 30 20 JKED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)[C@H]1c1cccnc1 1814103532 PORNNFQQVHAIAE-VIZCGCQYSA-N 488.591 5.030 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn3c(Cl)cccc3n2)[nH]n1 1814443132 NKHHLDOFUFCJOF-GOSISDBHSA-N 468.989 5.009 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)c(F)c2)[nH]n1 1814824156 MXACHJZJTHXWGF-OAQYLSRUSA-N 458.965 5.205 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)[nH]n1 1814827082 MJUWNIXAKGOXTC-XMMPIXPASA-N 459.594 5.284 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)[nH]n1 1814829194 AUGPAAROOMTNOE-SFHVURJKSA-N 495.933 5.551 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)[C@H](C)CC)n[nH]1 1816846571 APVKNJYOHQWCEU-JLGINSKQSA-N 454.640 5.151 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4cc[nH]c4c3)n[nH]2)c1 1818489144 BZZNONBBRULWQM-MZNJEOGPSA-N 466.545 5.138 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[nH]n1 1819311178 OWTFJRQIBOOZGO-JPLJXNOCSA-N 466.548 5.539 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cncc(C(F)(F)F)c2)n[nH]1 1819926932 WSQKLXYGYOSZHX-SFHVURJKSA-N 463.504 5.122 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1 1820548930 KYPFDEGWRWZXJD-QGZVFWFLSA-N 498.406 5.034 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCc2cc(OC)ccc2OC)n[nH]1 1820928766 AHLHAPZIHGWFJQ-UPVQGACJSA-N 494.636 5.210 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCC4)[nH]n2)c1 1823211919 PLUFTNRHQJTSIY-BCHFMIIMSA-N 481.600 5.074 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3occc3Br)[nH]n2)c1 1823213454 XSRGVCILTMJGTH-AUUYWEPGSA-N 496.365 5.012 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4ncccc4c3)[nH]n2)c1 1823214498 FVBHAXILKLBILH-IQGLISFBSA-N 478.556 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)[nH]n2)c1 1823216253 RMEXNRXPSLGUQU-XOBRGWDASA-N 497.933 5.588 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)[nH]n2)c1 1823216395 JAMYPUDKQRIACX-OPAMFIHVSA-N 493.514 5.258 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)s1 1823216672 ZATPTJLKYPHMBH-LXLPNVGGSA-N 473.602 5.426 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)c1 1823217449 SVMZWNUEIONETF-BVZFJXPGSA-N 467.573 5.534 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)cc1 1823682729 LBLDLAGEWNAFDH-HHHXNRCGSA-N 496.611 5.079 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3c(Cl)cc(Cl)cc3Cl)CC2)C1 1824004539 RCYAZYMFKWBHTH-OAQYLSRUSA-N 499.866 5.612 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 1824052213 CTMWLCMVJVHYBQ-NRFANRHFSA-N 470.038 5.139 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccc(F)cc2F)CC1 1824140011 VDMZMPNMIVEESR-HSZRJFAPSA-N 476.633 5.445 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824637252 GMNHVSDPVSNXDC-NNAHLOSHSA-N 454.577 5.331 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)s2)CC1)c1cccs1 1825032349 DCWOBLNSZQGALM-XSBJJCPUSA-N 491.078 5.064 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1825437825 YVMPWQTZNRJTFR-HHHXNRCGSA-N 475.633 5.117 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827684934 ZVFOQGZJIHHZCJ-DORXLWPQSA-N 485.049 5.382 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4c(c3)CCCC4=O)CC2)c1 1828246187 SKCSMDSCRGXQLR-KMRXNPHXSA-N 497.639 5.380 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1 1828514684 OUUXYWLTGVGFQP-MHZLTWQESA-N 486.591 5.045 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccoc3cn2)CC1 1828906899 OVYBMFZRVOOJEC-DEOSSOPVSA-N 479.697 5.112 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1829066622 NAWBTXRXSIGKQG-DEOSSOPVSA-N 471.592 5.672 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829621724 XWBJIXUBXUZXNL-VWLOTQADSA-N 482.628 5.389 30 20 JKED COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)ccc1C 1830072243 RVOMXVZTJCTQSV-QFQXNSOFSA-N 473.617 5.178 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1830102805 JEWPXCWRIMMXRW-SKCUWOTOSA-N 487.644 5.650 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1830258149 CPKSPDWLLSIEDG-RUZDIDTESA-N 465.638 5.325 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCC2)CC1 1830357193 QVOJMMNFVMIISV-DNQXCXABSA-N 489.701 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)CC1 1830465360 LVJYRVRFKZCKSR-OZXSUGGESA-N 495.067 5.527 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1830605948 KNGPTHMHLDBEEC-RUZDIDTESA-N 494.035 5.352 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)c1 1830718371 HOKBZJUTCKVELQ-MUUNZHRXSA-N 496.586 5.306 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)ccc2[nH]1 1830723177 XYHIXGFHCQRAJX-SANMLTNESA-N 489.019 5.549 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)CC2)c(Cl)c1 1830750305 QYGLOBZPJWYHJH-AREMUKBSSA-N 476.020 5.636 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)CC1)c1ccccc1 1830821863 BDSMLGIPQYPBPL-KAYWLYCHSA-N 497.643 5.108 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831369929 IQLHPXAZDMQRAC-WMZHIEFXSA-N 469.025 6.046 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1831447754 RIHIRSNWVWXHSZ-LJQANCHMSA-N 476.461 5.289 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2OC(F)F)CC1 1832674882 UCOBJRWZLPEYCP-RBBKRZOGSA-N 460.565 5.290 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)s3)CC2)cc1C#N 1832701333 DICFRCMPSKAAOZ-OAQYLSRUSA-N 483.609 5.093 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 1832792550 LWIHGZXMRCPTRZ-HHHXNRCGSA-N 499.655 5.069 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1832825955 CZDUIELHADUTJU-SQJMNOBHSA-N 495.664 5.170 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)CC1 1838373251 FEVPOMBFPFWCQA-AREMUKBSSA-N 482.665 5.245 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)C2)c1Cl 1844626684 AGURAPPCJMZMQL-UHFFFAOYSA-N 494.982 5.262 30 20 JKED C=CCN(CC=C)C(=O)CSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 8953082 ZMCUULWKGSARRY-XMHGGMMESA-N 488.034 5.088 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 10405603 RKRDBASRVGFOOQ-GOSISDBHSA-N 458.587 5.262 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccc2c(c1)CCC2 10761005 OZONFURILPBZPW-UHFFFAOYSA-O 480.028 6.185 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(C(C)C)cc1 11262915 HAHKJLVNRWYQAQ-UHFFFAOYSA-O 472.461 7.018 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nc2sc3c(c2c1=O)CCCC3 17652922 OCSVTXPXKSUWKY-OAHLLOKOSA-N 464.616 5.735 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 21849027 MVSHNPKOZCDXOO-HNNXBMFYSA-N 457.962 5.185 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)c1C 22735168 LOUSOIZURZYMME-UHFFFAOYSA-O 476.666 5.190 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23604951 JMPVWEREJUGLJN-UHFFFAOYSA-O 456.994 5.641 30 20 JKED COc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCCCC4)cc1 24086172 UBUKISYNKAGFTF-MRXNPFEDSA-N 464.616 5.260 30 20 JKED C=CCN(C(=O)c1cncc(Br)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769941 XZRAPKLYSOMTNE-UHFFFAOYSA-N 469.191 6.107 30 20 JKED COc1ccc(CNc2nnc(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)s2)cc1 28251548 DSJDHJNOXFIROX-SFHVURJKSA-N 481.647 5.203 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)(C)C)cc2)c1 28780891 LZLOHAPEFVSIJG-UHFFFAOYSA-O 462.595 5.848 30 20 JKED C=CCn1c(SCc2nc(C)no2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 29136231 NSXKYTIHHGPLQY-UHFFFAOYSA-N 454.559 5.638 30 20 JKED C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(OCc2cccnc2)cc1 32252727 DXPUSJSRLCWZLV-OAQYLSRUSA-N 463.537 5.602 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 104955176 KUTFOWGHFGLQDW-UHFFFAOYSA-N 472.353 5.176 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 105721726 MJTHXJDHVVJJGD-XMMPIXPASA-N 459.549 5.126 30 20 JKED CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)n2)cc1 107567861 ASPJHQHJNJPYLS-UHFFFAOYSA-N 458.440 5.244 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)c2)c1 107619559 JMQKBDMECWITTG-HXUWFJFHSA-N 480.490 5.406 30 20 JKED CCc1cc(C#N)c(NC(=O)c2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)s1 108399542 GCPBSCQENKHBKS-UHFFFAOYSA-N 474.007 5.303 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)cc12 195741165 BZVVUBYVEMGMOQ-AWEZNQCLSA-N 484.368 5.118 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c1 409472540 VCOFZIUKRCTVTG-UHFFFAOYSA-N 453.473 5.394 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(Oc4ccccc4)nc3)cc2F)c1 481620261 FUGVQWIHDREALE-UHFFFAOYSA-N 468.488 5.785 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)cc2F)c1 481627502 PMKGPEDIQAWWNQ-UHFFFAOYSA-N 487.318 5.343 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1 491557023 JQUWPGYQKCQUTH-UHFFFAOYSA-N 458.562 5.263 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3c3cccc(Br)c3)c2)c1 491975390 DVSDCXSWMNKICG-VXKWHMMOSA-N 460.331 5.315 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 499960075 ZVTZGLGEOIOECK-UHFFFAOYSA-N 464.443 5.503 30 20 JKED CCn1c(SCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)nnc1-c1cccs1 501167505 YXCKBSLKKTYRPT-UHFFFAOYSA-N 491.617 5.671 30 20 JKED CC[C@H](C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1 504313819 KDYCRBJMFLELHB-SFTDATJTSA-N 461.635 5.960 30 20 JKED CCOc1c(Br)cc(Cl)cc1NC(=O)CCCOc1ccc(C#N)cc1OC 504810908 IFHOEWOBNVTLEI-UHFFFAOYSA-N 467.747 5.179 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)CC1 509036226 FOIRNHJJYYDRFW-UHFFFAOYSA-N 466.541 5.367 30 20 JKED COc1cccc(/C=C(/CC(=O)N2CCN(c3ccccc3C#N)CC2)c2nc3ccccc3s2)c1 509096884 XJSMVKWFSYXTIO-QJOMJCCJSA-N 494.620 5.456 30 20 JKED COc1ccccc1SC[C@@H](C)CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 509260430 POFZAYWNHFIXEK-HNNXBMFYSA-N 485.660 5.261 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2C(F)(F)F)c1 509672161 TUJSIRQDAMFZFK-UHFFFAOYSA-N 462.431 6.116 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 509830409 INARKPAQUAYVLK-UHFFFAOYSA-N 456.542 5.179 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1-c1ccncc1 510307695 NRJJDYBADMBUAV-GOSISDBHSA-N 462.406 5.588 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511477859 VVYFMQXZQTUPIR-UHFFFAOYSA-N 452.436 5.493 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)NCC2(c3cccc(Br)c3)CCOCC2)cc1 511628499 NNPUWSGYDNXBNF-UHFFFAOYSA-N 456.384 5.120 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)c1nc2ccccc2s1 513672472 RYQBGEDUMVKIRK-AWEZNQCLSA-N 451.960 6.062 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CC1=O 514559053 BNIMUMMZVUPQSA-GHTZIAJQSA-N 468.557 5.559 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1 515797083 CXMOMTDTWJIJET-QHCPKHFHSA-N 453.464 6.147 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1 516312048 GLBBOTQWYMQMEZ-QHCPKHFHSA-N 494.016 5.060 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 516412298 OITQFMOUHUVVFI-HXUWFJFHSA-N 481.339 5.355 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 517461238 GCFRFBIFOXQPGQ-UHFFFAOYSA-N 478.477 5.995 30 20 JKED CC(C)Oc1ccc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C(F)(F)F)c1 517533446 WIOQVSZGMJYFIB-OAHLLOKOSA-N 451.514 6.209 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 518140907 HXIWTKQKKZVZFS-KRWDZBQOSA-N 457.555 5.106 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 518150904 ITCGVZDSINSRDK-UHFFFAOYSA-N 456.493 5.638 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc(-c2ccncc2)cs1 518642006 IDGVXAATUCQHQO-GOSISDBHSA-N 466.444 5.901 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 518698524 XDUXYMZSBNMMOY-QGZVFWFLSA-N 486.355 5.527 30 20 JKED C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 518833134 ZYBBCQOEQGKQMD-INIZCTEOSA-N 465.893 5.299 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1C 518893608 BTIGLQMBYYKCFJ-UHFFFAOYSA-N 497.986 6.239 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccccc1-c1ccccc1 519431768 OUIZEOTZAGXBNB-UHFFFAOYSA-N 455.505 6.429 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1OCC 520221627 LGLZEXREULARAB-RBBKRZOGSA-N 464.375 5.562 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 520837388 SBGMQOSIYDWNRN-UHFFFAOYSA-N 465.497 6.155 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1NC(=O)c1ccccc1 521259257 MCMGFBYYSZWHME-SFHVURJKSA-N 473.504 6.139 30 20 JKED Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)nnn1-c1ccc(F)c(Cl)c1 521762711 IJUGUUPKFCRXHX-UHFFFAOYSA-N 483.878 5.645 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 523135942 LRJQNNBZEYHBIC-UHFFFAOYSA-N 461.871 5.441 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(OCC(F)(F)F)c1 524438052 LJJMRRDICZEWLN-UHFFFAOYSA-N 469.463 5.709 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 524565126 IMAPZISDFUDHMN-QZTJIDSGSA-N 476.577 6.212 30 20 JKED COc1cc(-c2nc3ccc(C#N)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 561495390 CZWXTNMBJSIHJB-UHFFFAOYSA-N 466.419 5.146 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)nc1 590234585 LDAKKZJQOGWXHY-UHFFFAOYSA-N 489.322 5.902 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)o2)cc1 591192467 KLSYXRCKQSWYBL-VWLOTQADSA-N 450.494 5.723 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cc(F)c(Cl)cc1Cl 604131773 JWXVGMSZEMQMOK-GFCCVEGCSA-N 473.291 5.007 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccc3)cn2)cc1 604227079 OQCWQKDNRSYVNG-RUZDIDTESA-N 496.954 5.438 30 20 JKED C=CCn1c(SCc2csc(CC(=O)OC(C)C)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 604441112 OWNLKZZVLAFXTG-AWEZNQCLSA-N 489.688 5.012 30 20 JKED CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 604519956 ULKWZVMPJFSQFB-SHQCIBLASA-N 456.611 6.090 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 608915339 NVXPDYOWHVGMGT-UHFFFAOYSA-N 480.490 6.272 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 608964072 DFWIQFFSOOAOLM-HSZRJFAPSA-N 450.510 5.342 30 20 JKED N#Cc1cc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)ccc1OCC(F)(F)F 608993821 APMFNZCWLUZZBO-HXUWFJFHSA-N 492.885 5.133 30 20 JKED N#CCn1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc2ccccc21 609159602 PNJPXMOOOXBKFU-UHFFFAOYSA-N 462.431 5.688 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)NCc1ccc(C#N)cc1F 609253551 AVLGURHRYFYEEV-UHFFFAOYSA-N 453.539 5.078 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3CS(=O)(=O)c3ccccc3)c2)cc1 609408276 QVUUKPJIHXFLDL-UHFFFAOYSA-N 468.534 5.577 30 20 JKED Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(S(=O)(=O)N2CCC(C)CC2)c1C 609428560 PLIYBEFKAOVGAG-IBGZPJMESA-N 485.675 5.371 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 612503073 GZFTWNYHKSESPD-UHFFFAOYSA-N 455.388 5.267 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 617348266 OPATTXSYRROMNO-UHFFFAOYSA-N 476.932 5.247 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC 642413472 POGODUNHDVKRCN-UHFFFAOYSA-N 485.631 5.192 30 20 JKED O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc(OC(F)F)cc1OC(F)F 643192769 FVEIXONULXAQNZ-UHFFFAOYSA-N 494.388 6.213 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccn1)c1cccs1 726422611 XPBZYTXDIBIFEK-DLDCJQESSA-N 486.569 5.011 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)c2ccccc2)c(Cl)c1 727264612 UDKBAJZUPQOUFV-JWGURIENSA-N 492.978 5.838 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccccc2C#N)s1 728424740 HHBNPZDHNOHNSF-HSZRJFAPSA-N 499.621 5.214 30 20 JKED CC(=O)N(c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1)c1c(C)cc(C)cc1C 729767347 FIWSAYBZURGNNQ-UHFFFAOYSA-N 472.570 5.588 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21 730609246 PFULMNCXPRNUBB-UHFFFAOYSA-N 485.487 5.542 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CCCc2c[nH]c3ccccc23)C1=O 730716039 OGTRTKJIPNWYPN-HXUWFJFHSA-N 489.428 5.175 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 731061469 BITBOMMVSAOYRF-GOSISDBHSA-N 499.567 6.231 30 20 JKED COc1cc(C2(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCC2)ccc1C 731083994 ADJVMYAUYIFFMG-IBGZPJMESA-N 466.603 5.392 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc3ccccc23)n1 731304094 IWNJWSLTHPDWAC-VWLOTQADSA-N 496.592 5.409 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(Cl)cc2)C1=O)Nc1cccc(O)c1 731310631 MGCGUPSHEMLYPO-NRFANRHFSA-N 483.952 5.345 30 20 JKED CC(C)c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C#N)cc1 731311680 DMZSYXHZSLRYSC-VWLOTQADSA-N 498.608 5.548 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N\[C@@H](C)c2cccs2)cc1 731312120 LAHMTKICVGUZAK-SHZNUGFISA-N 479.627 5.352 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 731352210 SIKPHCNJFOEVKU-LJQANCHMSA-N 458.587 5.061 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 743524097 GMYRKAITPHKJQK-NYHFZMIOSA-N 498.530 5.529 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(F)cc3F)C2=O)cc1 745585649 ZHBBPHSGPODPLB-HSZRJFAPSA-N 490.535 5.305 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(C2CC2)C1=O 745989232 MRJYJKWMVKEALB-IBGZPJMESA-N 457.983 5.088 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nc2ccccc2n1C(F)F 747111395 HSTQJFYZBWIAAP-CQSZACIVSA-N 477.323 6.281 30 20 JKED Oc1ccc(-c2ccccc2)cc1C=Nn1c(S)nnc1-c1cccc(Br)c1 749444792 VUEKQBHRPZCYCQ-UHFFFAOYSA-N 451.349 5.251 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 749704923 HFROAFVYSUVVAD-IRLDBZIGSA-N 495.649 5.249 30 20 JKED COc1ccc(N2C/C(=C\c3ccc(NC(C)=O)cc3)C(=O)/C(=C/c3ccc(NC(C)=O)cc3)C2)cc1 750916941 PQGBGXQFPPQQBQ-MUPYBJATSA-N 495.579 5.168 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2Cn2cccn2)C1=O)Nc1ccccc1 797611494 RYUVQBXFQDSNKE-RUZDIDTESA-N 495.608 5.092 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1C 837300033 QQMMBQUVRXUMBX-CVDCTZTESA-N 458.587 5.420 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 912533705 ASLYAEHIZPPRJJ-KRWDZBQOSA-N 454.617 5.177 30 20 JKED CCOc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C 914541156 LUTYHGOLKCZCMN-QFIPXVFZSA-N 492.576 5.088 30 20 JKED CC(C)Cn1nc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)c2ccccc2c1=O 914893097 KZYYZWKVNCMYOT-UHFFFAOYSA-N 465.553 5.109 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(C#N)cc2)NC(=S)N1c1ccccc1 916160418 KLYUSGTUUQCHRN-HSZRJFAPSA-N 492.526 5.926 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C[C@H]3CCCO3)C2=O)c1 916204311 BWAPHBLMNJGFBL-UTKZUKDTSA-N 490.000 5.235 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)cc(C)c1 916210784 IVUPDERHFGIBFG-FQEVSTJZSA-N 493.551 5.319 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(Cl)cc1 916212032 UBRHRPGVQNYUMY-KRWDZBQOSA-N 469.916 5.729 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)cc1 916214974 SGIBPIIKADIQDM-RUZDIDTESA-N 496.592 5.404 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1Cc1ccccc1 916846582 APXSUKSQMJKGJM-HXUWFJFHSA-N 456.571 5.232 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)nn2-c2ccccc2)cc1 916937272 BTHKBOKGOWLBSM-HXUWFJFHSA-N 488.906 5.302 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(NC(=O)c4ccccc4F)n3)n2)cc1 916975429 ZJIPYPJSLYMMQW-SFHVURJKSA-N 476.558 5.385 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976959 YJYXXBQCWZTFIK-CTNGQTDRSA-N 463.990 5.121 30 20 JKED N#C[C@H](C(=O)/C=C\c1ccccc1OC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 917042277 AKIPGJZYDVVBDJ-SCXUMTSISA-N 456.367 6.103 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 917426220 KWSDLLBHHSAXRH-INIZCTEOSA-N 474.405 5.087 30 20 JKED COc1ccc2c(c1)c(CC(=O)[C@@H](C#N)c1nc3ccccc3o1)c(C)n2C(=O)c1ccc(Cl)cc1 917509819 AYMOBLDWQVLRJZ-JOCHJYFZSA-N 497.938 5.860 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1 917561657 JJDZSJKTMREUHV-DHZHZOJOSA-N 450.869 6.396 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cs1 917562187 UYAAOHXOTBZMRC-WEVVVXLNSA-N 451.762 6.684 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2C)n1 917664075 CKYMKYRBGKIJDT-JOCHJYFZSA-N 480.540 5.137 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccsc2)C1=O 917675737 ZTPXZSRTEXRZLK-FQEVSTJZSA-N 486.018 5.571 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)cc1 917680774 HRGVUBIPYWKWIB-VWLOTQADSA-N 490.673 5.084 30 20 JKED C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2F)C[C@@H](C)O1 918141055 ROVLHTQJMKCIQF-WOJBJXKFSA-N 489.616 5.533 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 918209784 IGXJMDBDGKQGDE-KJCZYTORSA-N 499.471 5.148 30 20 JKED Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(OCC#N)c3)cc2)c(C)c1C 918596407 FZJBMUXLHNAAQL-UHFFFAOYSA-N 477.586 5.184 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918736384 URPGDEZAZSNXAM-OKILXGFUSA-N 468.442 5.426 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2cccc(Cl)c2)no1 920354933 GASHANBGSPCEON-LJQANCHMSA-N 490.919 5.075 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 920357034 SUSLCEDSUXHMDP-JOCHJYFZSA-N 497.020 5.668 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cccc(OCc2cccc(Cl)c2)c1 920605777 BSHVPTVGKCYQMB-UHFFFAOYSA-N 466.946 5.330 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC(=O)CCc1c(C)nn(CCC#N)c1C 920840863 FGGADAVRKPFPDD-UHFFFAOYSA-N 498.505 5.531 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CN3CCc4nc[nH]c4C3)c2C#N)C(C)(C)C1 929073093 FDYDAVFDEAFSED-PLNGDYQASA-N 489.670 5.488 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccc(Br)cc5c4)CCC3)cc2)C1 1785810193 CXFMVFAZNPUNPQ-UHFFFAOYSA-N 490.401 5.711 30 20 JKED CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1786120725 VQBVKPSEIUQYQM-JOCHJYFZSA-N 496.652 5.144 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nc[nH]c5c4)cc3)CCC2)c1 1789278721 OYOPNCRCYOQXPF-SFHVURJKSA-N 463.541 5.251 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1)c1ccc(O)cc1 1789390874 LTQPOJBIFKMKNQ-NRFANRHFSA-N 492.579 5.213 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cn3)cc2)CCC1 1789707104 SMYCXAGPZUSGAZ-FQEVSTJZSA-N 468.395 5.360 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)cc2)CCC1 1790011513 BQXJLVJYHBVHBN-UHFFFAOYSA-N 468.582 5.948 30 20 JKED Cc1cc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)ccn1 1790081981 WIDHYPDISYFRBJ-UHFFFAOYSA-N 472.976 5.296 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)n[nH]1 1790128578 ONJLDIVELYOYIW-UHFFFAOYSA-N 461.953 5.120 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3occc3NC(=O)OC(C)(C)C)cc2)CCC1 1790188954 SOXFTKCRVPVXHD-UHFFFAOYSA-N 497.592 5.357 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)CCC1 1790229294 WHWLGCPWYDCWTE-UHFFFAOYSA-N 496.611 5.508 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cc(F)cc(F)c4)CCC3)cc2)cc1 1790706304 ZEAUQJXGQAVKNY-UHFFFAOYSA-N 459.496 5.021 30 20 JKED C[C@H](Sc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)CCC1 1790766235 QJDOTQDDYGJUIX-KRWDZBQOSA-N 474.561 5.021 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4Cl)CCC3)cc2)cc(C(F)(F)F)c1 1790784983 IMJKKOKTGXWUMH-UHFFFAOYSA-N 498.892 5.687 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)CCC2)cc1 1791250111 IGEJUSKHDXMEDX-CFWKWFKYSA-N 495.664 5.511 30 20 JKED CC(C)[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1791516207 YGSZDMOVMHKDMD-IFMALSPDSA-N 491.698 5.014 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Br)CCC2)cc1 1791580609 IGEKTZCBNQCQBE-UHFFFAOYSA-N 457.343 5.139 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)CCC2)cc1 1791589158 LKYXKZKXGQOBPC-JOCHJYFZSA-N 469.626 5.170 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4cc(OC)ccc4n3)CCC2)cc1 1791727302 ATNSFHRXQDSKLG-UHFFFAOYSA-N 455.558 5.185 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c1 1792127364 WZHJODIZQGNCEZ-FQEVSTJZSA-N 462.553 5.441 30 20 JKED Cc1ccc2[nH]c(C(=O)NC3(c4ccc(NC(=O)COc5ccccc5C#N)cc4)CCC3)cc2c1 1792240879 YHCUTWYJGXFONR-UHFFFAOYSA-N 478.552 5.175 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c1Cl 1799306960 FIMGKPTYVBYJMX-QDMKHBRRSA-N 497.209 5.737 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(F)CCCCC1(F)F)C2 1800399130 YSWNVNWKDALLES-AXVVYFOYSA-N 480.424 5.014 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)cc1 1800543930 YWYUMKNQEVGUIY-KOUNCHBCSA-N 463.537 5.218 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(F)c(Cl)c2)c1 1800709166 OYCMWPIRUUFNGC-YFYLHZKVSA-N 474.363 5.325 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(OCc3nc(C(C)(C)C)cs3)c2)C1 1800816727 TXKMAUXWXVNMEB-KOUNCHBCSA-N 493.673 5.238 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)Cc3ccccc3Cc3ccc(F)cc3)[C@@H]2c2cccnc2)C1 1802414285 QIEVFLHPYKJIQG-FREGXXQWSA-N 497.614 5.026 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1802503196 MAWUXTCMJWRUDF-BVAGGSTKSA-N 470.617 5.250 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1803091110 MXXWEQNAAAWHOR-GCJKJVERSA-N 488.415 5.182 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1803091482 NONJHKCETWEUKS-HFZDXXHNSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[C@@H]1c1cccnc1 1804862064 WENOLHCZRVGIBL-AQHOXQCLSA-N 498.627 5.173 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C2(C(F)(F)F)CCC2)[C@@H]1c1cccnc1)c1ccccc1 1806973437 GUJJOCNHYZNQMS-SGNDLWITSA-N 497.561 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2C(C)(C)C)[C@@H]1c1cccnc1 1807782509 QASBWXGBVUPRPU-GMAHTHKFSA-N 462.638 5.086 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807836480 VBAFDTZKQCZZFH-LEAFIULHSA-N 496.655 5.764 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1 1808559584 DRJGDRMDAMETRW-LXFBAYGMSA-N 492.639 5.337 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1808710085 YCDLXXKHDSJZNL-NQIIRXRSSA-N 477.527 5.314 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808975792 KNCXTPRVPPZVAP-BVAGGSTKSA-N 455.602 5.547 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1810500306 OCRKUZVDCHLZGC-NOZRDPDXSA-N 489.660 5.497 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c1Cl 1811132740 RYCRYHOQUFDJIT-UZUQRXQVSA-N 497.357 5.033 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811442989 WJNIPQPBUDSQKK-RCZVLFRGSA-N 493.529 5.419 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c(OC)c(C)c2)[C@H]1c1cccnc1 1811539887 UYXADKRJQNICET-LADGPHEKSA-N 463.622 5.019 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1)c1ccccc1 1811722009 RSOBXZVLCVRUAG-AJMXSWDOSA-N 498.602 5.242 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)s1 1811748961 HOCCQXPDTSPPSN-DPTRUDLKSA-N 491.016 5.010 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c4c(Cl)cccc34)[C@H]2c2cccnc2)c1 1812236317 BUFISZDAERXUDS-RXFWQSSRSA-N 497.986 5.030 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1)c1ccccc1 1814381257 NHMPBCMRFAMKCV-NBGIEHNGSA-N 469.589 5.100 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4c(c3)CCCC4=O)n[nH]2)c1 1818692420 GRMLPEPIJKCIHI-BVZFJXPGSA-N 495.583 5.175 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](CC=C)C(=C)C)n[nH]1)NC(=O)OC(C)(C)C 1819311126 NAIWYUYFNCXFTM-KCZVDYSFSA-N 499.656 5.030 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccoc3Cl)n[nH]2)cc(C(F)(F)F)c1 1820394097 IKFQKOGDZHNPKL-KRWDZBQOSA-N 491.857 5.166 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821107543 BZFREBBHXGTDMN-KRWDZBQOSA-N 497.846 5.051 30 20 JKED C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)sc2C1 1821158276 YEOUEHHUUJNMJT-FQEVSTJZSA-N 482.609 5.092 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2C)n[nH]1 1821338063 GITAHTKKNCYAHQ-IFXJQAMLSA-N 480.396 5.132 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1821923150 GSIGSUNWOWEHCP-OXQOHEQNSA-N 458.990 5.368 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cncc(C(F)(F)F)c2)n[nH]1 1822657567 XUHGZXGIJHSRRF-HXUWFJFHSA-N 491.558 5.441 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)[nH]n2)c1 1823215336 QEEDTOGFECAHAY-LIRRHRJNSA-N 484.482 5.003 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(Br)cc3F)CC2)C1 1823703215 SWALRLFKRBLEAL-QHCPKHFHSA-N 491.445 5.107 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1)c1ccccc1 1824236379 SDEKSYQOVLIENN-YTMVLYRLSA-N 471.645 5.160 30 20 JKED CCOc1c(F)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1Cl 1824542047 RCJIDXDOYAACRW-UNMCSNQZSA-N 485.065 5.066 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1824542578 ZLLBENLDHCOPNB-XZOQPEGZSA-N 474.070 5.076 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1827364829 HHFFGDRLCHGOCI-DEOSSOPVSA-N 497.586 5.202 30 20 JKED CC(C)n1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(F)(F)C(F)F)CC2)c(C(F)(F)F)c1 1827779052 WCKMNWYDUUBAQG-KRWDZBQOSA-N 499.471 5.222 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828031994 BJIMOZDINYHQEE-MHZLTWQESA-N 489.736 5.519 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)Cc4ccc(F)c(C#N)c4)CC3)ccc2c1 1828086739 APVGBUYWRJDWJW-NDEPHWFRSA-N 498.602 5.030 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1829520257 GJGXCRBZNVUODK-NDEPHWFRSA-N 478.596 5.167 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c1Cl 1829689490 GUTLEECOXNRGPC-QFIPXVFZSA-N 471.935 5.037 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1829701402 FXWGFFIPESHNOZ-XMMPIXPASA-N 493.966 5.644 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830416624 KUFGCCRWKOVSCQ-AMGIVPHBSA-N 491.632 5.513 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830607703 HAIWKGRZGFXOCW-VWLOTQADSA-N 483.603 5.539 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)cc1 1830675349 GXBBYMPTFMSRAO-AOYMVWLXSA-N 497.639 5.607 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3Cl)CC2)c1 1830719108 SKRHIZILGOWVBM-RUZDIDTESA-N 492.982 5.379 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c(Cl)c1 1830720671 FOYFKRKHYQJTBF-XOYNAWAESA-N 493.957 5.178 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830828184 QBNMSFGLUHWNHB-BKMJKUGQSA-N 480.052 5.890 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2Cl)N(C)C)CC1 1831210267 PRXASKKKSXULBH-CLJLJLNGSA-N 486.100 5.331 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)Oc1ccccc1 1831232711 RTZAKHJMKZMDMI-RXFWQSSRSA-N 494.035 5.303 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(F)c2)CC1 1831444006 GQKXHMOSPBAFAH-HSZRJFAPSA-N 485.550 5.332 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1831851576 LDLMUHMRLZYJIL-SANMLTNESA-N 458.602 5.516 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699934 RLRQETDQUSFCDR-RRPNLBNLSA-N 474.645 5.160 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1835683538 JOAPGJYOVNDLGV-VWLOTQADSA-N 459.719 5.323 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)c1 10174850 DRLCSPZMURSFRD-UHFFFAOYSA-O 451.681 6.563 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(CO)c2)cc1 11085098 GBTBRZNWDFTQLY-UHFFFAOYSA-O 484.439 5.403 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1cccc(C)c1 11810292 FIPCGEYKIRYPQB-UHFFFAOYSA-N 474.634 5.575 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22729121 ZFKQQMIIPBZHRD-UHFFFAOYSA-O 481.641 6.323 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)c1 31687837 QTRNJNFVNLEETP-OAQYLSRUSA-N 482.613 5.374 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)no1 32289643 YFOGGDFOIZUXRW-UHFFFAOYSA-N 456.527 5.373 30 20 JKED CN(Cc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1)C(=O)OC(C)(C)C 108175271 ZOMQTZNDKBUJIG-UHFFFAOYSA-N 461.518 5.349 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCc1nnc(-c2ccccc2)o1 109903897 KAJATYISNZZEHD-UHFFFAOYSA-N 458.331 5.176 30 20 JKED Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3cccc(OCCCC#N)c3)s2)cc1 110398586 HQHQTRJITMQLEO-ZHZULCJRSA-N 452.967 5.196 30 20 JKED N#C[C@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2n1C(F)F 195652870 KJQZIBJJKOBGEE-LJQANCHMSA-N 451.860 6.154 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C2CC2)cc1 254763549 KNXYPQDYKVKMEH-SFHVURJKSA-N 498.819 5.778 30 20 JKED Cc1nc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nn1-c1c(Cl)cccc1Cl 481878190 BORNEZVZEQQERW-LLVKDONJSA-N 490.322 5.774 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)cc1 483442221 UGZBWILOYXFVLX-UHFFFAOYSA-N 469.522 5.436 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Br)ccc1Br 484319091 NFXFKPCNBQEISV-QGZVFWFLSA-N 452.146 5.125 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 485741596 CVOQPMIUKSKBIJ-INIZCTEOSA-N 467.447 5.527 30 20 JKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 485976262 LCUGHCQHBGUAQE-NOZRDPDXSA-N 459.977 5.934 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3C(=O)c3cccs3)s2)cc1 491481579 YJXCSQLCQBQOAU-UHFFFAOYSA-N 462.581 5.247 30 20 JKED Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)cc1 500754298 MTUJOYRALGSWDR-HSZRJFAPSA-N 453.542 5.458 30 20 JKED CC(=O)N[C@H](CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)c1ccc(Cl)cc1 501161125 MVNQEMHFTWQNAN-XMMPIXPASA-N 463.940 5.460 30 20 JKED CC[C@@H](C)n1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccccc1 504307991 VXJXNGSCFWLAOG-MRXNPFEDSA-N 465.648 5.849 30 20 JKED COc1ccccc1NC(=O)Nc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OC 505950047 YHKSVWIVZRDHKH-MRXNPFEDSA-N 459.506 5.102 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 508248667 JGNFFHCYAZPBRO-UHFFFAOYSA-N 470.529 5.242 30 20 JKED COc1cc(OC)c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 510004836 HYRAXNPGEOIPJX-FQEVSTJZSA-N 465.937 5.343 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1c(C)nn(-c2ccccc2)c1C 510556406 YZGWICBJCWOSCM-UHFFFAOYSA-N 451.530 5.783 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc1 510596144 AZFMFKBGTNPFAT-KRWDZBQOSA-N 456.384 5.016 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc(C)nc21 510832495 IQIOWDWNYHCQOS-AWEZNQCLSA-N 498.534 5.901 30 20 JKED N#Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)sc2c1CCC2 512139497 RGINCWJEEGGFML-UHFFFAOYSA-N 482.348 5.468 30 20 JKED CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 513864270 RPDKSJIMYXICKN-QGZVFWFLSA-N 468.985 5.409 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 513998053 YNAZYESRWPBINJ-UHFFFAOYSA-N 484.575 5.948 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H](C)c1cc2ccccc2o1 516265695 PCCRCPKSOSBRQK-OAHLLOKOSA-N 473.451 5.184 30 20 JKED Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)cc1F 517492293 TUKMVICHYKREAS-FQEVSTJZSA-N 492.359 5.236 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 517760990 SGFGXPNRFFBQQL-UHFFFAOYSA-N 489.919 5.502 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 518131783 QOGPSYNEIBGNQB-MHZLTWQESA-N 490.563 5.483 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 518728800 WLOJGPJGYXZOJS-UHFFFAOYSA-N 453.498 5.716 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCSc2ccc(F)cc21 520429820 WOEXERWUJDFLEH-JOCHJYFZSA-N 461.518 5.090 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1)c1ccccc1 520588891 BDGQSBIMRZSEKK-UHFFFAOYSA-N 482.584 5.229 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1cccc(OCc2ccccn2)c1 520939264 PBLFTYLZNSAEMU-FQEVSTJZSA-N 464.525 6.207 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)cc2)c1 521808851 PZSMGVDEBYIUCB-UHFFFAOYSA-N 478.911 5.133 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1F 523254160 QRWGMYXETXHQGF-UHFFFAOYSA-N 458.445 5.923 30 20 JKED Cc1c([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cnn1-c1ccc(F)cc1 523885802 NYZFPSZSSJJAHU-IBGZPJMESA-N 485.538 5.804 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)cc2F)c1 524460734 VGNSQPFOBFEQHJ-UHFFFAOYSA-N 491.607 5.860 30 20 JKED CC1CCN(C(=O)C2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)CC1 524662646 XTKFLVNYKRAZNV-UHFFFAOYSA-N 480.996 5.506 30 20 JKED N#C[C@@H](C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 556185770 NEFGDKQHDSUZET-AWEZNQCLSA-N 476.297 5.286 30 20 JKED COc1ccccc1OCc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)o1 603742751 HLHFEODJRYIXND-UHFFFAOYSA-N 454.482 5.570 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)cc1Cl 603810434 WOINWIBJWNWQSX-SANMLTNESA-N 482.971 6.291 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12 604101890 CGKFNIMEKNKDGB-UHFFFAOYSA-N 458.521 6.309 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1C 604450896 IEEXTIJIWVOFIJ-UHFFFAOYSA-N 487.947 5.832 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)cc1Cl 604508322 XXQGLJLRYVMGFX-QGZVFWFLSA-N 472.759 5.557 30 20 JKED CSc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 608928155 DMFHRBDLNQCMDX-UHFFFAOYSA-N 469.535 5.147 30 20 JKED COc1ccccc1CC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 609080480 YWLYQEPXPAVPGQ-UHFFFAOYSA-N 469.585 5.941 30 20 JKED Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccccc1F 609173603 USCFEDSJWUVNGS-NDEPHWFRSA-N 493.538 5.960 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)cc2F)c1 609208308 AXSJNPDSCVEDKI-UHFFFAOYSA-N 497.530 5.738 30 20 JKED N#CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(Cl)cc2)CCC3)CC1 609329735 APAZGQWTZCPOOL-ZZEZOPTASA-N 471.004 5.483 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4cccc5ccccc45)C3)n2)cc1 609562998 BVQNMNJLLGSZQG-OAQYLSRUSA-N 466.566 5.326 30 20 JKED N#C[C@@H](C(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)c1nc2ccccc2o1 614439659 BMXUAKBUXOODTC-SFHVURJKSA-N 490.313 5.098 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)nnc1-c1ccc(Cl)cc1 617896126 KJYYOBJUNKSZDJ-CVEARBPZSA-N 487.025 5.160 30 20 JKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542445 QWMSLVVASOWXSS-BETUJISGSA-N 450.354 6.213 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622092952 OWFPXLHVRZWQFP-VXGBXAGGSA-N 462.837 6.310 30 20 JKED C=CCN(C(=O)c1cc(Br)c(OCCC)c(OC)c1)c1nc2c(s1)CCCC2 623331531 BGCGSENFTRWZFX-UHFFFAOYSA-N 465.413 5.415 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccc(Cl)cc1 644490517 PEHYWCZANPODFI-UHFFFAOYSA-N 451.354 5.698 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 726401255 SJFUHYGSAICTOT-DNVCBOLYSA-N 494.444 5.687 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(F)c2)cc1Cl 726407102 OHUVBFUOWHFRKI-QFIPXVFZSA-N 492.963 5.511 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC3CCC3)C2=O)cc1 726409244 QCHZBETZFOLAFO-JOCHJYFZSA-N 495.004 5.175 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccc(C#N)cc2)c1 726413861 VFCCMMSKSCJVDP-SANMLTNESA-N 492.604 5.317 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(Cc3cscn3)C2=O)cc1 726415823 OUIJTPJVNNBBFJ-QFIPXVFZSA-N 494.642 5.399 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3ccsc3)C2=O)cc1 726418559 DYFDBGJSMDIUQM-BUOZQURKSA-N 497.667 5.602 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)N1C1CC1)c1cccs1 726418795 FRONCVVVWCIPAX-NETHECDYSA-N 481.615 5.615 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 726755995 RXDWRYYZTMWHCT-IBGZPJMESA-N 470.602 5.144 30 20 JKED C[C@@H](NC(=S)NN=C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccc(Cl)cc1Cl 727061775 MEDZHMXSXIPAEP-BXWDTWGJSA-N 461.418 5.339 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(SC(F)F)c2)nnc1-c1ccc(Cl)cc1 727345132 YPLLITXVXQBQPZ-UHFFFAOYSA-N 466.966 5.830 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2sc(-c3ccccc3F)nc2C)cs1 728442060 VCHUMSZGTOGKBS-FMIVXFBMSA-N 498.004 6.948 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 729070197 RDAMZXKBPNEXJO-IBGZPJMESA-N 473.743 6.187 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ncccc3C)C2=O)c1 729630621 BSFOJAKEGRMHMX-DEOSSOPVSA-N 488.613 5.176 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc2cc(Br)ccc2c1Cl 729889866 UOXDULMWMCLLIA-GFCCVEGCSA-N 463.740 5.287 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730468182 NDWGQYNYUDNINB-UHFFFAOYSA-N 482.212 5.007 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(Cl)cc1 730493852 WJSANEOGTZJMCU-KRWDZBQOSA-N 499.992 5.261 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730942550 ROAWYVYKUWILKU-SQJMNOBHSA-N 486.641 6.037 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)c2cccnc2)C1=O 730943958 OGVNWSIJYMYHLK-KSFYIVLOSA-N 496.995 5.904 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1 731066148 KGFGOOGWWHWQHZ-MRXNPFEDSA-N 479.583 5.190 30 20 JKED COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)cc(Br)c1OCc1ccccc1 746686893 ORKWZWAQWGYTMA-MDZDMXLPSA-N 455.352 5.710 30 20 JKED C=C(C)COc1cc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)ccc1OC 747064625 YXFHHGDOWMTSPC-UHFFFAOYSA-N 478.495 5.589 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 748422035 VTQXYRHMMAUQGU-UHFFFAOYSA-N 470.982 5.118 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCc2ccc(C#N)cc2F)cc1 808382915 PAKKBDUJBRLCEU-JJFYIABZSA-N 471.513 5.412 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CC(F)(F)F)C1=O)Nc1ccc(F)c(Cl)c1 837540379 VJDHYJRXMLIZTH-OAHLLOKOSA-N 459.852 5.002 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c2ccccc21 842071865 HDDCCYIJKCGEKE-UHFFFAOYSA-N 499.527 5.043 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 899915400 USGAYOFNSZWQRC-YHAMSUFESA-N 472.570 5.111 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(NC(C)=O)c3)N(CCCC(C)C)C2=O)c1 914555785 LXKWYSJXVNEKSW-QHCPKHFHSA-N 496.633 5.050 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccccn3)C2=O)cc1 916205842 RUWSXZDPBCVHKJ-DEOSSOPVSA-N 488.613 5.258 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccn3)C2=O)cc1 916213009 WITCTGCOBIMPFD-DEOSSOPVSA-N 488.613 5.339 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1cccc2ccccc12 916217566 PZGSNMHHEOLOHF-HSZRJFAPSA-N 477.586 5.227 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)CCc2ccc(OC(F)F)cc2)nc1 916355861 YQMBGTOLRCXSMK-UHFFFAOYSA-N 488.560 5.319 30 20 JKED N#C[C@H](C(=O)CCCc1ncc(-c2ccccc2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 916846165 JBQRCJJKRFLSKK-QGZVFWFLSA-N 458.543 5.130 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2cccc(Cl)c2)nc1C 916901674 NUFGJRLWPKWUST-OAHLLOKOSA-N 474.369 5.704 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 916905134 ALUUROVWBAXPDO-QHCPKHFHSA-N 453.542 5.333 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916908375 PNAFVNGFOCKQQE-QWUACUGRSA-N 482.424 6.210 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3ccccc3n2Cc2ccccc2F)cc1Cl 916940409 MDTPCNHULUGGSA-IBGZPJMESA-N 475.907 5.452 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(OC(F)F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997603 XKIYFROUZLKUDW-HNNXBMFYSA-N 453.297 6.137 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1 917037119 VULREESEUISENU-OAQYLSRUSA-N 487.606 5.236 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042495 CPKBBPPCDJEGCU-HNNXBMFYSA-N 459.449 5.231 30 20 JKED O=[N+]([O-])c1cccc(-c2ccc(C=Nn3c(S)nnc3-c3cccc(Br)c3)o2)c1 917593613 PDQWQLIHFXEFLJ-UHFFFAOYSA-N 470.308 5.047 30 20 JKED C[C@H](N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccccc1)c1ccccc1 917608831 CGIYULIFZSMAJT-IBGZPJMESA-O 460.623 5.333 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)N[C@H](C)c2ccccc2)[n+]2ccc(C(C)(C)C)cc2)N=C1C 917612610 MGVWNYUNTVIUOL-GOSISDBHSA-O 476.666 5.828 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1cccc(Cl)c1)[n+]1ccc(Cc2ccccc2)cc1 917612682 CFYAAMYYWWRWQN-UHFFFAOYSA-O 483.016 6.413 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2ccccn2)C1=O)NCc1ccccc1 917700530 JBCKAXRRPUGISG-AREMUKBSSA-N 494.620 5.116 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(N2CCCC2=O)ccc1F 917797357 MHAQTBBAPCNIFP-UHFFFAOYSA-N 464.337 5.008 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 917841007 BLVNIZFNVAJGDH-MRXNPFEDSA-N 456.477 5.133 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cnc(-c2ccccc2)nc1 917962695 PBJIPDNQSKSQLB-XMMPIXPASA-N 484.556 5.611 30 20 JKED CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)cc1 918456358 JCLSADPEXPNCOY-UHFFFAOYSA-N 488.975 5.200 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cc(C)on2)cc1 920354558 DXIVKFNSAOHUBN-DEOSSOPVSA-N 484.581 5.605 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920358031 XMQPRTUXQFWRCH-OAQYLSRUSA-N 482.993 5.359 30 20 JKED COc1ccc2c(CC(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)c[nH]c2c1 1786171391 LSXXOPRPMLXYHC-UHFFFAOYSA-N 478.552 5.039 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)CCC1 1786288667 ZZLVYNSDFVQYDA-HXUWFJFHSA-N 452.620 5.284 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5cc(Cl)ccn45)cc3)CCC2)c1 1788386236 XLNHITDVLKKZBG-GOSISDBHSA-N 497.986 5.676 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4ccccc4)cc3)CCC2)CCC1 1788736312 HILUWAKEAGBWSJ-UHFFFAOYSA-N 450.542 5.190 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c4CC[C@H]5C)cc3)CCC2)cc1C#N 1789011168 WCOUWPJWBSLDNN-GOSISDBHSA-N 497.599 5.180 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4)cc3)CCC2)c(C#N)c1 1789049604 QCAVKQROIXQODX-UHFFFAOYSA-N 479.536 5.303 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCc4cc(OC)ccc4C3)cc2)CCC1 1789167235 YBMVRCFJMNSHCD-JOCHJYFZSA-N 490.644 5.307 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)no1 1789508025 CDXNPNFGXASEOB-UHFFFAOYSA-N 451.643 5.036 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CCC2)cc1 1789577762 FHBZZFPFTHDKPJ-CWCMICEWSA-N 461.606 5.439 30 20 JKED O=C(Nc1ccc(C2(NC(=O)C(F)(F)C(F)F)CCC2)cc1)c1ncc(C(F)(F)F)cc1Cl 1789869319 QEZWLJAFPLJNHR-UHFFFAOYSA-N 497.798 5.402 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3csc(C(F)(F)F)n3)cc2)CCC1)C(F)(F)F 1789881734 NTFJMMCSUREXQZ-UHFFFAOYSA-N 463.403 5.028 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccoc45)cc3)CCC2)c1 1790956699 IHQCXMNVOHXPIK-UHFFFAOYSA-N 465.509 5.375 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3cc4cccnc4cc3F)CCC2)cc1 1791300175 FJZLAVRAWWDCLQ-UHFFFAOYSA-N 467.491 5.262 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)CCC2)cc1 1791579033 PFFLPEQPIUNTLP-MRXNPFEDSA-N 480.552 5.474 30 20 JKED COc1ccc(COCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1 1791687981 BQEPGQYTTWEUNB-OAQYLSRUSA-N 497.595 5.287 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Nc4ccccc4)CCC3)cc2)c1 1792124837 LFRVTYMMALAQGU-NHCUHLMSSA-N 466.585 5.562 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)s1 1792168433 ZVWCDKCHXCLOCF-UHFFFAOYSA-N 488.613 5.480 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)CCCOc4ccc(Cl)cc4)CCC3)cc2)CCC1 1792227589 AQULAZUPBPHYDC-UHFFFAOYSA-N 465.981 5.327 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCC=C4F)cc3)CCC2)cc1 1792375042 MYNGYOYRDFUJNX-HHHXNRCGSA-N 463.528 5.371 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCc2ccc(C(F)(F)F)cc2)c1 1793515387 GMRJRKNLORHZPU-TZAMREQXSA-N 497.561 5.607 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cncc3s2)c1 1796375578 NZSMIVCPQPBLDG-FZDIXFNVSA-N 479.005 5.142 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 1798206886 MZICNMDHLYIFDF-MHORFTMASA-N 494.945 5.027 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cc1Cl 1800313692 MBXXUVQWIQAHPM-KOUNCHBCSA-N 489.132 5.430 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 1800556174 TUPBJJINXWMXFV-ABQRKTDGSA-N 469.670 5.334 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)[C@H]2c2cccnc2)C1 1802405233 HTLNYCKYKQBLDE-OFVILXPXSA-N 485.550 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1802496337 ICTXAORNJIZRNT-PGRDOPGGSA-N 467.660 5.670 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)cccc2OC)[C@H]1c1cccnc1 1802503892 ZIULVJKMFCMJMT-CVDCTZTESA-N 470.013 5.056 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1803087507 CDKRRSQEVVAVMT-MNPUUQGPSA-N 478.036 5.313 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1803092627 XWLUVNFKMJCCKK-LBNVMWSVSA-N 486.660 5.160 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)c(C(F)(F)F)c2)c1 1803865212 IQIBLMWFJGVPIS-GAZPGATBSA-N 473.470 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3ccc(C(C)=O)cc3)C2)CC1 1805670147 PQJSSOAZBZGFAN-UHFFFAOYSA-N 480.649 5.048 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1805677767 GGMXPRIYVBSWLH-RBJSKKJNSA-N 498.627 5.105 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4cc(F)ccc4s3)[C@@H]2c2cccnc2)cc1 1809848019 MATZJLKNUPBIFB-LVXARBLLSA-N 498.583 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ncsc23)[C@@H]1c1cccnc1 1810499413 YARDMAVDRPWSTF-DENIHFKCSA-N 462.619 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810499427 YBPUYDWGEZNSPL-VLYJIQRVSA-N 480.052 5.537 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1810502444 JDKCQALVFYVPBQ-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810602650 VAKNRJNWUQABGQ-JPYJTQIMSA-N 473.951 5.101 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@@H]1c1cccnc1)C(F)(F)F 1812683691 RMOPKLNLTKBTLF-DNVCBOLYSA-N 486.321 5.135 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1813224025 PPCHLSAJVQDEEG-FQRUVTKNSA-N 477.008 5.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813963340 PZKMGPMJPZDDQF-GCJKJVERSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(NC(C)=O)ccc2Cl)[C@H]1c1cccnc1 1814000530 OHBHKRKGIXDCNY-HYBUGGRVSA-N 497.039 5.005 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)cc1 1814500379 QMOHBYPDXPFPMZ-QFIPXVFZSA-N 487.947 5.230 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814735170 AUFXHANDROQNNU-NLMIPJBGSA-N 473.602 5.071 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc(C(F)F)c2)n[nH]1)c1ccccc1 1816082162 LUOLEYIEMZJUPC-OFNKIYASSA-N 491.542 5.245 30 20 JKED Cc1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1816391534 XXIXQAAMCNYPJE-MHZLTWQESA-N 489.579 5.133 30 20 JKED Cc1ncsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1816494175 IMVBAZJCOXHIKN-XMMPIXPASA-N 495.608 5.194 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc(C)oc2C(F)(F)F)n[nH]1 1818081730 UXQCCVYSDIPFLZ-OAHLLOKOSA-N 467.492 5.023 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1819363692 JIUBGKOVUNVDMG-DENIHFKCSA-N 496.995 5.202 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccoc1C(F)(F)F)CC2 1819759196 XVWXIZWJSCGMQS-AWEZNQCLSA-N 497.615 5.032 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819968184 XRSNOBJDLVANBI-HNNXBMFYSA-N 453.395 5.278 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4ccoc4c3)n[nH]2)c(Cl)c1 1821456992 KKTLFUWBINVXCV-NRFANRHFSA-N 473.920 5.301 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3cccc(Br)c3)CCCC2)n[nH]1 1821871341 WLJFYIZPBXKBBS-FQEVSTJZSA-N 485.426 5.252 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1 1821920068 GUVKJKZJLBCXFO-KUHUBIRLSA-N 453.974 5.371 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)n[nH]1 1822252253 UBMSBCKLQFIRKN-KCZVDYSFSA-N 497.437 5.162 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)[nH]n1 1822584474 QWZXRHUJFLSYGS-IBGZPJMESA-N 452.555 5.263 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)c1Cl 1823181920 UDGTYFZJWDJODJ-ZGKFYVQTSA-N 482.993 5.178 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)n1 1823212352 UWDAISSFRBGYAP-KKSFZXQISA-N 476.606 5.236 30 20 JKED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1)c1ccccc1 1823495257 DMWOZJIMERTPLW-KSFYIVLOSA-N 461.953 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)c3n[nH]cc3c2)CC1 1823753463 PWIDYPKGAVGEPF-QHCPKHFHSA-N 450.627 5.097 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccc(Cl)cc1 1823976484 FQLWIERXEKOMJX-AFMDSPMNSA-N 496.026 5.317 30 20 JKED Cc1cc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)ccc2[nH]1 1824054124 HSGWGZLFFHNPKR-MUUNZHRXSA-N 482.628 5.214 30 20 JKED C#CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824224738 AKWXVVHJDAEXFR-SFHVURJKSA-N 486.597 5.304 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cscn2)CC1 1825988097 JWFUVXZNADMYHK-MHZLTWQESA-N 483.637 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cc(Cl)ccn23)CC1 1827366897 FIGFQNHYOVAOQM-NRFANRHFSA-N 471.045 5.213 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(=O)Nc2ccccc2)CC1 1828824485 LXQKALOUMXMFPL-IZZNHLLZSA-N 479.665 5.184 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1828890733 NVCXLAIXRIOIIC-OFVILXPXSA-N 495.664 5.170 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 1829068973 BFUOBEZMXWQDRA-AREMUKBSSA-N 476.665 5.157 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC(F)(F)F)CC2)c1Cl 1829687770 GLTSHWBVQBPGFY-IBGZPJMESA-N 469.935 5.178 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)c1Cl 1829862802 GCPSZLHULIRFEB-LJQANCHMSA-N 460.361 5.005 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC2CCCC2)CC1 1830357929 IBWAVHUSQZAHIH-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(CC)CCC2)CC1 1830359504 XLDCPMUUFZVJBK-PKTZIBPZSA-N 489.701 5.046 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 1830587290 VOZSHQAGLJNHMY-GDLZYMKVSA-N 498.671 5.025 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cnc4[nH]ccc4c3)CC2)c1 1831731661 KMAXWCLKFLISRM-JIPXPUAJSA-N 497.643 5.056 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 1831740686 JCXRRFKBBUDANT-LJAQVGFWSA-N 499.655 5.485 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)c1 1831749527 XKSWKKUTMKBIIB-HSZRJFAPSA-N 499.442 5.158 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@@H](C)S)CC3)ccc21 1831844077 PSBQSEISSQZEAD-DVECYGJZSA-N 477.674 5.366 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1831850346 CMVWKCDUORHDHQ-QHCPKHFHSA-N 467.009 5.637 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)CC1 1832672426 BQKUCLPYIULIGV-ZEQRLZLVSA-N 459.030 5.350 30 20 JKED CC(C)Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3ccccc3C#N)CC2)cc1 1832795472 NGTBDCJDBZDACH-MHZLTWQESA-N 487.644 5.069 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)CC2)c1 1832956674 ILVRAPRMSAXHQA-ZTOMLWHTSA-N 483.656 5.352 30 20 JKED O=C(C#Cc1ccccc1)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1837733354 PVMSCFYSYYSKEO-UHFFFAOYSA-N 492.619 5.018 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1 10118272 PNGORNRXNSWROJ-UHFFFAOYSA-O 489.567 5.903 30 20 JKED C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1)C(=O)Nc1ccccc1C#N 10410054 WBZDEIOGYGDAJG-SFHVURJKSA-N 485.613 5.875 30 20 JKED Cc1cccc(C)c1NC(=O)CN(CC(=O)Nc1c(C)cccc1C)Cc1cc(C#N)ccc1F 10609060 JKAZGDIKJXCSDS-UHFFFAOYSA-N 472.564 5.010 30 20 JKED Cc1oc(-c2cccs2)nc1CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 10879487 YCEKDPLVFWBMPN-UHFFFAOYSA-N 456.552 5.575 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc3c(c2)CCCC3)c(C)s1 11077973 GDYROKSOCMCMDQ-UHFFFAOYSA-O 490.501 6.889 30 20 JKED C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc2scc(-c3cccs3)c2c1=O 11380628 CJOXPMSUPGHUKC-UHFFFAOYSA-N 498.611 5.320 30 20 JKED N#Cc1ccc(OC[C@H](O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 15237019 QOKXGXCYJQZCMW-SFHVURJKSA-N 454.983 5.117 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccncc1 16726057 QMOQXKXMJGTUKZ-GFCCVEGCSA-N 467.904 5.318 30 20 JKED C=CCOc1c(Br)cc(CNCc2c(C)nn(-c3ccccc3)c2C)cc1OC 17318786 IVPKNFYGVRUHIK-UHFFFAOYSA-N 456.384 5.115 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccccc1 21754613 UPJOYLVQPBABEP-VWLOTQADSA-N 472.589 5.610 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nc2sc3c(c2c1=O)CCCC3 23404863 SOUWNBCZUMJRRT-WBVHZDCISA-N 485.700 5.429 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)CCOc2ccc(C)cc2)c1 24501065 RCYOIEPQWJSOAL-UHFFFAOYSA-N 499.032 5.181 30 20 JKED COc1ccc(CSc2nnc(SCC(=O)N(CCC#N)c3cc(C)cc(C)c3)s2)cc1 24838180 QTRCVZGIBAEJCO-UHFFFAOYSA-N 484.672 5.495 30 20 JKED CCc1cc(C#N)c(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)s1 108396852 ZXPJNRWWASMJAA-UHFFFAOYSA-N 473.554 5.675 30 20 JKED O=C(/C=C\c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1cccc(N2CCOC2=O)c1 208087861 MBJYCMIRRMXLHT-OTIVFRFGSA-N 459.342 5.411 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 216438321 SHSGGEKLPSAPAX-UHFFFAOYSA-N 489.600 6.306 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)c(F)cc2F)c1 303186668 DXGCIVGTEYSRRC-UHFFFAOYSA-N 480.895 5.391 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(C)cccc1-c1nc(C(C)C)no1 303285512 LGVYQWYHRIAAHQ-UHFFFAOYSA-N 499.365 5.219 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc2F)c1 481010034 HYUHDPAYJZHQPX-MHZLTWQESA-N 493.538 5.315 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 483020974 VEQIMVMJSHPSCN-UHFFFAOYSA-N 463.613 5.672 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 483211392 UEKQNKOXLSAPHO-UHFFFAOYSA-N 495.539 5.222 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483665680 HJXRIXGSCKPVQI-UHFFFAOYSA-N 478.346 5.180 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN3c3ncnc4sccc34)cc2Cl)c1 484336220 RPRLOZLVLYKBKU-OAQYLSRUSA-N 489.988 5.403 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)c1 487113261 WOXNSZLNSFPLGT-PXDATVDWSA-N 487.003 6.187 30 20 JKED Cn1nc(O)c2c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)cc(C3CC3)nc21 491052975 RSTPUUAOZPALJA-UHFFFAOYSA-N 459.893 5.121 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3OCc3cccs3)s2)cc1 500118667 AGIUPLPULQNISA-UHFFFAOYSA-N 464.597 5.595 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 500743655 NBCIGZDWGQXLBW-UHFFFAOYSA-N 495.608 5.907 30 20 JKED C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 502555060 XGDZDNWQMJDHJO-SFHVURJKSA-N 451.567 5.527 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3csc(I)c3)c2)c1 503156218 ATXRHMPMWCVDSF-UHFFFAOYSA-N 460.296 5.056 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 504320844 JYVHZBKBVGZGFL-INIZCTEOSA-N 465.648 5.849 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 505617689 DPUMMCDLGRQVRQ-UHFFFAOYSA-N 495.510 6.311 30 20 JKED CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 507390493 HNKVIULKADBOCP-UHFFFAOYSA-N 466.610 5.945 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C#N)c(C)c1C 509848697 BQLVISDLKGCAMU-UHFFFAOYSA-N 464.978 5.515 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 510006595 QDUFEGPUUAUZLN-OAQYLSRUSA-N 475.936 5.258 30 20 JKED CCCCOc1cccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 510081843 BUVGFNBOIJONQF-UHFFFAOYSA-N 453.593 5.203 30 20 JKED COc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 515736092 PTTOGTHNBWYICZ-HNNXBMFYSA-N 451.910 5.460 30 20 JKED CC(C)Oc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 516181105 JNQQOGPHNOEXRD-UUOWRZLLSA-N 475.976 5.599 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)CC1 517755720 WNJAFZGKFBSOBU-NRFANRHFSA-N 493.976 5.142 30 20 JKED C=CCN(C(=O)Nc1cc(Cl)ccc1SC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 518255462 DKSONLWCLWTKRR-INIZCTEOSA-N 457.003 5.597 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c(C)c2c1 518279600 CBVODTFPIWYBAX-UHFFFAOYSA-N 468.528 6.116 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc(-c3ccco3)nc21 518516606 NLJRHWCCUITVJF-IBGZPJMESA-N 478.537 5.757 30 20 JKED CCOc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCc1cccnc1 519107890 LPMRETPHUIKVAS-RUZDIDTESA-N 497.982 6.620 30 20 JKED COc1ccc(CN[C@@H]2c3cc(Br)ccc3SC[C@H]2C)cc1OCCCC#N 520213747 RTWLKTJDBYCQRZ-QRQCRPRQSA-N 461.425 5.713 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 521169148 IXDCIQIVKZSLLU-INIZCTEOSA-N 472.383 5.021 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3SC[C@H](C)C#N)nc(O)c2c1C 521727411 XAJXQSMIXYYEGW-DOMZBBRYSA-N 472.661 5.526 30 20 JKED Cc1ccc(-c2nc(CCNC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)co2)cc1 522577544 QUDOEQCRVVXTSK-UHFFFAOYSA-N 496.592 5.225 30 20 JKED CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 523200531 CTGBFPNNMGBDAY-GCJKJVERSA-N 452.986 5.156 30 20 JKED CC(C)(CNC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)c1cccc(C(F)(F)F)c1 524040546 IGACSEAJUZUBSM-UHFFFAOYSA-N 474.380 5.152 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@@H]3c3nc4ccccc4s3)c2C#N)C1 561199670 QNYYYNPAYMZVHV-DNVCBOLYSA-N 450.633 5.520 30 20 JKED C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 591661997 BFBDYHALCQHDQS-CQSZACIVSA-N 453.514 5.292 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 593008046 IKCLRSVHGPCEKM-UHFFFAOYSA-N 472.879 5.653 30 20 JKED N#Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1Cl 603440910 SWNJYJLGQIJOHZ-UHFFFAOYSA-N 458.749 5.687 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)cn2)c1 603622841 HMKKWPNFASQYCE-NRFANRHFSA-N 481.339 5.296 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cn2)cc1 603765340 VKALKRHIIVJMSF-UHFFFAOYSA-N 463.906 5.180 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1Cl 603766024 JQSIFMXTDIKTSY-LJQANCHMSA-N 486.018 5.094 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 603969427 SVVGGEYAFXCISR-UHFFFAOYSA-N 497.605 5.917 30 20 JKED N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 603997995 LRBGKOARBGMMAL-SFHVURJKSA-N 465.376 5.576 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4C(F)(F)F)cc3)cc2)c1N 608926184 JDCKHJOLXJRSKE-UHFFFAOYSA-N 463.419 5.390 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3 609369696 HWWWGCDVSNIJJQ-ZDUSSCGKSA-N 470.645 5.401 30 20 JKED CCOc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccccc2)cc1 609437354 OETWFKNHHVRHFR-MUUNZHRXSA-N 491.547 5.594 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCN(Cc2ccc(F)cc2Cl)CC1 612804586 SDVWKAOQGNZHLK-FOLVSLTJSA-N 489.863 5.216 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H](c1ccccc1)c1ccc(F)cc1 612806200 WUDUDZXWCLJHOB-MDZRGWNJSA-N 462.409 6.124 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccccc1OC 617996446 RRKYKPDVTBBCGX-MOPGFXCFSA-N 472.614 5.651 30 20 JKED O=C(CCCc1ccc(O)c(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517285 FRYNJMLOAMUVOS-IBGZPJMESA-N 479.392 5.492 30 20 JKED C=CCN(C(=O)CCSc1ccccc1F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 673713927 HRQULFRJSZXRCM-UHFFFAOYSA-N 476.620 5.054 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccc2F)cn1 726112137 MJVJSGFMAMECCE-NRFANRHFSA-N 499.999 5.164 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 726399247 MZKXUZADCBUGAU-VBKZILBWSA-N 477.989 5.173 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(C)C)cc1F 726410892 JIGRFADRZUKMGW-NRFANRHFSA-N 457.571 5.067 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C)s2)c1 726411661 KGJLCBURXHICKK-QHCPKHFHSA-N 489.622 5.207 30 20 JKED CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccc(OC(C)C)cc2)cc1 726574154 NHLGHLYYWYYRNN-UHFFFAOYSA-O 492.665 6.031 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)nc1C 727848515 NOKZAPOYSVCGTM-RYUDHWBXSA-N 466.419 5.234 30 20 JKED Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)ccc12 727999061 IQXIAOWOSRARSN-UHFFFAOYSA-N 474.900 5.223 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1C 728777100 YUYMYRAYEXMNDN-JOCHJYFZSA-N 483.037 5.919 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)cc1F 728778875 GDSMJDCANIXLAO-XMMPIXPASA-N 488.588 5.942 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1C#N 728779775 KYUMHBRKVSHCEV-HXUWFJFHSA-N 499.518 5.231 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 729317783 XWXQYXRSEZCMLH-UHFFFAOYSA-N 494.576 6.109 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)c1 729635004 ZAOJSNCBWIISFO-QHCPKHFHSA-N 458.587 5.167 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCc3c(C)noc3C)C2=O)cc1 730443919 ICMXGNSWWLDFIX-HSZRJFAPSA-N 494.592 5.250 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 730475737 WPVQINWKDFZVJA-SFHVURJKSA-N 483.265 5.107 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3cccnc3)C2=O)c1 730943866 LNVRPXROVJYCHK-MBSDFSHPSA-N 493.032 6.073 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 730982771 WRXXTBIXFVRWET-UHFFFAOYSA-N 478.039 5.163 30 20 JKED C#CCOc1ccc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 730983045 SGYCDGABXQJHIN-UHFFFAOYSA-N 474.626 5.128 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2cccs2)c1 731315567 IIIDTFMPRXPAGP-UZUQRXQVSA-N 489.622 5.027 30 20 JKED C=CCN(C(=O)COC(=O)c1nccc2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 743199934 FCTZAGHNOONGMC-UHFFFAOYSA-N 498.391 6.041 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744993222 BWHGCHQODKBLMO-FQEVSTJZSA-N 498.530 5.054 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(F)cc1F 745583025 BVTMHBODFKWTGM-QFIPXVFZSA-N 481.524 5.134 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 745947449 YQNSGWKPAMWUBD-WUKNDPDISA-N 473.598 5.269 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cccc(OC(F)F)c2)cs1)c1ccc(F)cc1F 746006827 GNEUHAQSJVHHIZ-VURMDHGXSA-N 450.413 5.603 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCCOC3CCCC3)C2=O)c1 747042751 IFOOFLMFDQCFRZ-QHCPKHFHSA-N 499.608 5.144 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccc(Oc3ccccc3)nc2)C1=O 749444157 SGZPNRZLUOGEPL-HSZRJFAPSA-N 488.613 5.265 30 20 JKED Cc1ccc(I)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 751084955 QVPNIYBUQYFSFB-FQEVSTJZSA-N 452.295 5.507 30 20 JKED COc1ccc(-c2nc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)nc(O)c2C#N)cc1 802828991 IWRUSIPCXKUJPS-UHFFFAOYSA-N 495.775 5.420 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1cccs1 838484890 GFWKAYOUCYVOSF-HXUWFJFHSA-N 469.563 5.056 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O)Nc1cccc2ccccc12 838574950 DYDRXXJOOGFDDR-OAQYLSRUSA-N 451.498 5.241 30 20 JKED CC(C)Cn1cc([C@H]2N(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC23CCOCC3)cn1 849536854 RBJAVKOWLYDIPM-AREMUKBSSA-N 486.641 5.556 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)N(O)Cc3cc(Cl)cc(Cl)c3)cc2)c1 901380021 UWFRZOPXXQFIAS-UHFFFAOYSA-N 475.328 5.051 30 20 JKED N#C[C@@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccccc2s1 915098515 VAFGCNYWPHRFRQ-RBBKRZOGSA-N 455.539 5.010 30 20 JKED N#C[C@H](C(=O)COc1ccc(F)cc1Br)c1nc2cc(C(F)(F)F)ccc2s1 915104596 TVIBKSLBRGBVOJ-LLVKDONJSA-N 473.245 5.472 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc2ccccc12 916217289 JVROSIAIIHUCNV-OAQYLSRUSA-N 483.515 6.005 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2C(F)(F)F)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 916229863 MBZUYZGSRFRYHW-CQSZACIVSA-N 495.832 5.626 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccccc1Cl 916276537 AYBZGYCAEIEJHT-UHFFFAOYSA-N 461.353 5.115 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 916277050 RCJIWPXMDSFVGB-UHFFFAOYSA-N 495.948 5.265 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C=Nn1cnc2sc3c(c2c1=O)CCCC3 916287714 KEIBVWYALIPPMB-UHFFFAOYSA-N 465.582 5.380 30 20 JKED COc1ccc(Oc2cc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)ccn2)cc1 916404183 MAKBYDSFMOCETQ-AREMUKBSSA-N 464.525 5.860 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1OC 916545387 HCOIHXASBNWAMC-WYMLVPIESA-N 481.552 5.470 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCc1ccccc1 916904370 BLDUASRPHIZFDO-XMMPIXPASA-N 492.531 6.028 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905765 PLDTTZAQGBGHDQ-QGZVFWFLSA-N 459.552 5.934 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1Oc1ccccc1 916908086 LDTXXLHMDODGOF-GOSISDBHSA-N 472.526 5.261 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 916929988 GPAMFDHVUGPVOD-KRWDZBQOSA-N 464.934 5.019 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976980 YULFMVSQMTUWQH-UGSOOPFHSA-N 473.982 5.539 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2[C@@H](C)c2ccccc2)cc1 917254009 DHMPIVUYMHOMBV-GOTSBHOMSA-N 495.652 6.290 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)Cc2cc(Br)cs2)c1=S 917456847 GJNISUCXQZYHHY-UHFFFAOYSA-N 453.406 5.320 30 20 JKED COc1cccc(-c2nc(C=Nn3c(S)nnc3-c3cccc(Br)c3)cs2)c1 917593185 GWKYKCOFMIUIKO-UHFFFAOYSA-N 472.393 5.011 30 20 JKED CCOc1ccc(N2C(=O)/C(=C/Nc3cccc(OCCCC#N)c3)c3ccccc3C2=O)cc1 917602456 IRDXEXJZNYVWOL-LGUFXXKBSA-N 467.525 5.408 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2C)n1 917664358 GXGJZNNYHQWOTH-VWLOTQADSA-N 495.608 5.407 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(F)cc1F 917698751 CNXVJKIZEBMUST-NFBKMPQASA-N 495.551 5.257 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(OC)c1OC 918492542 VEDFCNJCUYAZNL-FZHKIGMJSA-N 480.630 5.446 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(-c3cccc(F)c3)no2)n(C2CCCCC2)c1C 919189086 ZTKHFZNPWVYWAA-UHFFFAOYSA-N 464.497 5.071 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)COc1ccc(Cl)cc1C1CCCCC1 919363623 ATYMGMYTHSEGQN-UHFFFAOYSA-N 472.994 5.564 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 920106316 WNOMVEMESVJQMQ-QGZVFWFLSA-N 490.313 5.290 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(NC(=O)c4cccs4)n3)n2)cc1 920141097 DNIREIYRCQVQJV-INIZCTEOSA-N 480.596 5.008 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C/c3ccccc3OC)c3ccccc3)n2)cc1 920144251 ZIPSMNLZSWPVFL-VOGGAGISSA-N 466.562 6.244 30 20 JKED O=C(Nc1ccc(NCc2c(F)c(F)c(F)c(F)c2F)c(C(F)(F)F)c1)[C@@H]1CCCO1 920402705 WRDPRXSLPGILSH-LBPRGKRZSA-N 454.317 5.131 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)n2C)n1 921253721 VJPNKRITOZLGNY-JKSUJKDBSA-N 485.704 5.428 30 20 JKED COc1ccc(OCc2ccccn2)c(C=Nn2c(S)nnc2Cc2cccc3ccccc23)c1 921255042 IHAINXMKGCYCBA-UHFFFAOYSA-N 481.581 5.176 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cc(Br)c3c(c2)OCCCO3)S1 921259783 ZHENMFFJDMQNCB-BOPFTXTBSA-N 459.365 5.119 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)C1 1778914705 HPOCPCRSFDAANA-GOEWEAILSA-N 496.051 5.093 30 20 JKED C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)C1 1781457075 QAJZBTQFINDPHM-UHSQPCAPSA-N 494.582 5.097 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cnc3OC)cc2)CCC1 1785783575 UNWHOOQYHKHSEC-FQEVSTJZSA-N 453.970 5.260 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1 1786368443 JYKATCTYLCGFNG-MUYFXNHWSA-N 452.517 5.080 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3cnccc3C(F)(F)F)cc2)CCC1 1786782499 NXJXTLAKPCITHZ-KRWDZBQOSA-N 459.512 5.379 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c(F)ccnc4Cl)cc3)CCC2)c1 1786993714 SBJBYKBKRUDEIX-MRXNPFEDSA-N 476.939 5.563 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CC4CCCC4)CCC3)cc2)c(C(F)(F)F)n1 1788357398 LVENLZKYDODFMF-UHFFFAOYSA-N 470.495 5.300 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1789575915 BBZLIVSHQKMQDF-FDAWAROLSA-N 478.552 5.208 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)ccn4)cc3)CCC2)c1 1789827904 JIMLKLZTBIUBGY-QGZVFWFLSA-N 492.501 5.789 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CS[C@H]4CCCCO4)CCC3)cc2)c1Cl 1790084053 WVBPKVBUQLCIQB-QFIPXVFZSA-N 484.021 5.219 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccoc4c3)CCC2)cc1)c1ccc(O)cc1 1791642466 KRVCCGIRRDCSLW-NRFANRHFSA-N 493.563 5.478 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1)c1ccc(O)cc1 1791642714 NDPOYZYSZUGTRZ-IBGZPJMESA-N 476.960 5.584 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3C)cc2)CCC1 1792169042 VBBWDOKSJACTQL-KRWDZBQOSA-N 475.511 5.562 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccc(Br)cc4)CCC3)cc2)CCC1 1792227841 CUEDPVAKFORJKS-UHFFFAOYSA-N 496.405 5.046 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)c4ccccc4)cc3)CCC2)c1 1792312026 HPBOHAGQPYNFPU-LJQANCHMSA-N 453.542 5.118 30 20 JKED Cc1ccc(-c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(C#N)cc3Cl)C4)c[nH]2)cc1 1794590523 FOXMRJFOVRUMQR-KOUNCHBCSA-N 472.976 5.081 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cc(F)cc(F)c1 1796499583 FCVAUAAMOVEPTC-NUNAXRQHSA-N 465.544 5.047 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(-c2ccccc2)c2ncccc12 1796548848 LEPNDBYNMMAJRS-UADZTWIMSA-N 470.617 5.270 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nc(Br)sc2c1 1798160021 QEZVIXZNLXKTOI-XMTFNYHQSA-N 488.451 5.079 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)c(C)c1)C2 1798334076 LPQNORYLNXHHTN-ZFFYZDHPSA-N 495.664 5.040 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)c1 1800009953 FQRHXJOIBZBYJO-KGSLCBSSSA-N 487.003 5.065 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)ccc3s1)C2)C(F)(F)F 1801701614 VIEGDVTVWNBLMS-QDMKHBRRSA-N 487.341 5.034 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 1802718145 LRCNRVSQEGEVBV-FYYLOGMGSA-N 454.014 5.355 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)C1 1805459342 LYHVUSKMSZSEBP-UHFFFAOYSA-N 466.519 5.458 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CC2)C1 1806025737 PTOXVMHDYGCQSA-FQEVSTJZSA-N 491.657 5.332 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCCCC3(F)F)C2)CC1 1806203817 GORSFYWVYUMOSZ-NRFANRHFSA-N 466.689 5.094 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1806449122 CKHZUPJNDSTPOQ-LNVOOWCLSA-N 494.639 5.411 30 20 JKED C=C(C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(C)cc3)C2)CC1)C(F)(F)F 1810350891 KDIZFNWSNVJKKY-UHFFFAOYSA-N 471.523 5.020 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCNc2ccc(C)cc2C)[C@@H]1c1cccnc1 1810499405 XZPQANVWDVXBSK-RPLLCQBOSA-N 476.665 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cc3cccnc3cc2F)[C@H]1c1cccnc1 1810505233 OGMDRWCEASEOLI-CUNXSJBXSA-N 488.607 5.010 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3ccoc3c2-c2ccccc2)[C@@H]1c1cccnc1 1811274553 UVXHJLZFPSTRDW-WSNOQYBDSA-N 482.584 5.355 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811784691 YBSKXDXFCVKXRR-FDDCHVKYSA-N 490.406 5.616 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1811865654 MVRQYECDMVKZKA-OARDWFSCSA-N 486.660 5.160 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccc(C)cc4s3)[C@H]2c2cccnc2)c1 1811944169 KZEVAWABOCTJHC-KCWPFWIISA-N 494.620 5.418 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1812986272 LOPVVMSMPGQZHI-GJZUVCINSA-N 478.036 5.056 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1813863143 GXHACTBZTANZSZ-GDNYIZLESA-N 494.639 5.468 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1814148945 PEKUWFKEOCDYAU-UHSQPCAPSA-N 461.650 5.637 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1 1814735355 LCFKRQVVXHUNLX-YADARESESA-N 487.629 5.087 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)[nH]n1 1814828855 KPXBXOBQLUKVTO-DEOSSOPVSA-N 497.603 5.127 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1815208691 IEHJGILMUDGTLM-SFHVURJKSA-N 483.371 5.144 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc3ncccc3c2)n[nH]1 1815475208 ZTYWOCLXSQLWLL-HSZRJFAPSA-N 459.594 5.185 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)cc1 1818595421 CLRMCKSOJAPWHY-OAQYLSRUSA-N 487.560 5.449 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818775092 LWVHJBRRCHTTSQ-XLIONFOSSA-N 487.025 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)[nH]n1 1819308116 VQOZUQAWAQDLBK-YLJYHZDGSA-N 456.974 5.146 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820089711 OKRQVYICUPBVFO-HXUWFJFHSA-N 489.601 5.376 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820434633 GQQXXZYMDKMYFY-AUSIDOKSSA-N 474.561 5.099 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)n[nH]2)C1 1821155253 IKKDBJALIBMORD-OAQYLSRUSA-N 479.581 5.029 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)c1 1821506975 KNGKWLDDRVWJTB-OAQYLSRUSA-N 485.569 5.130 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cncc(-c3ccccc3C=O)c2)n[nH]1 1821727145 SHFOMSRKYURNLR-RUZDIDTESA-N 499.615 5.583 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccnn3C)c(Cl)s2)[nH]n1 1821920197 HMNHKYVDFQXWHA-KDOFPFPSSA-N 487.029 5.043 30 20 JKED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n[nH]1 1823135920 TYFUIBWQODPSKL-NRFANRHFSA-N 497.477 5.440 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)COc3cccc(Cl)c3)[nH]n2)c1 1823212105 QROCUDDYDSRVMD-GAJHUEQPSA-N 491.979 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3)[nH]n2)c1 1823218703 UTFURQOEKWGINR-ZHRRBRCNSA-N 461.953 5.310 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C)CC3)[nH]n2)cc1C#N 1823293582 CLUHVOFBQMMFKI-DNVFCKCGSA-N 477.609 5.201 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[nH]n2)CCC1 1823376517 INMYBUHIFZOUDH-IBGZPJMESA-N 477.952 5.323 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 1823752777 MOCYGAFFLBULDP-JOCHJYFZSA-N 451.611 5.362 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1823948849 WVPIVIFPWTZYCT-NEKDWFFYSA-N 487.644 5.325 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cccc1C(F)(F)F 1824544739 OKPBKTKGUSADFO-NHCUHLMSSA-N 470.601 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc3c2CCCO3)CC1 1827383667 MBLNXMLZCHRHDU-QFIPXVFZSA-N 458.668 5.299 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)COC3)CC1)c1ccccc1 1828236911 MEUAZDGDJGQGCA-WDYNHAJCSA-N 484.640 5.147 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)CC1 1828244233 VFXVVCIJPYCXDE-SANMLTNESA-N 462.634 5.207 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1828351875 IAJBPJSPRAHTSR-DQEYMECFSA-N 456.747 5.404 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(-c4nccs4)noc3c2)CC1 1828501302 BSEIEPXGPCVVFK-AVRDEDQJSA-N 492.645 5.397 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)CC1 1828778341 PWYTXBPWHXCQLF-KSEOMHKRSA-N 460.709 5.617 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1 1828906887 OEIBNAPFDRSBPD-RUZDIDTESA-N 478.709 5.717 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829581680 DDGRMMSVZFCPRR-LADGPHEKSA-N 489.685 6.156 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765781 PTRJEWDBTQHITI-MHECFPHRSA-N 469.029 5.176 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1830629478 ZFRFQWLSAAOCJG-LJAQVGFWSA-N 492.623 5.362 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)cc1 1830630055 GEBBUYBWMVCZMN-MUUNZHRXSA-N 498.602 5.434 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1C 1830674179 IDJDRTLPANXHPI-CUNXSJBXSA-N 487.644 5.486 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccsc3)CC2)cc(C(F)(F)F)c1 1830754787 JGIQGGWKCRMPOD-NRFANRHFSA-N 475.536 5.186 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cc(Br)cnc34)CC2)C1 1830999197 JQBRKBZJJBUKIJ-QHCPKHFHSA-N 496.449 5.197 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831926862 BLRDYJPTZNLLLS-OGAWYMSISA-N 498.667 5.313 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1831928241 HNAQVRVFKWEKAN-APJNYFBKSA-N 498.614 5.255 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 1831946892 APFVMPPVZXDLFB-FQEVSTJZSA-N 483.962 5.071 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)CC2)c(Cl)c1 1831980921 QCHNAKZQWDEPBQ-JYFHCDHNSA-N 476.020 5.175 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633434 HSZDPTMRARGQIX-BCQCSXDESA-N 473.617 5.014 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C)noc3-c3ccccc3)CC2)CC1 1838110262 WABMWIZUWLQLOD-VWLOTQADSA-N 491.632 5.031 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)CC1 1838374913 NHHQPXRRMGMRAQ-DEOSSOPVSA-N 492.582 5.015 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4c(Cl)cccc4s2)C3)c1 1846830153 TXIPXLHNPMNBFT-INIZCTEOSA-N 463.990 5.313 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1ccccc1 9446875 STCRRPAOUCQJGG-XMMPIXPASA-N 470.598 5.920 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccc(Oc2ccccc2)cc1 10172390 PQLNCVXFQPEJJI-UHFFFAOYSA-O 484.645 6.335 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172834 DCNJOHNGBRXUBB-UHFFFAOYSA-O 469.577 6.196 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1cccc(O)c1)c1ccc(Cl)c(Cl)c1 10826140 BDIQPHSPLAXDIU-UHFFFAOYSA-O 452.770 5.691 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(O)c1)c1ccc(Cl)s1 11113254 ZMNDRNSOBDOOCQ-UHFFFAOYSA-O 471.983 5.760 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1cccc(Cl)c1C 11257517 HWBGTPYOUWOGAQ-UHFFFAOYSA-O 450.436 6.264 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1[C@H]1COc2ccccc2O1 16726599 AECVRZGGIZZHDN-FOIQADDNSA-N 470.982 5.058 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccc(OC)cc1 16865018 XVQFKBKEEJVJRS-ZDUSSCGKSA-N 496.942 5.931 30 20 JKED O=C(C[C@@H]1S/C(=N\c2cccc(Br)c2)NC1=O)Nc1cccc(Cl)c1Cl 16938541 QEQYQCJHMJXQKX-ZDUSSCGKSA-N 473.179 5.004 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 18436858 PEODCXAMNVZPHT-QGZVFWFLSA-N 485.009 5.064 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccccc1 18952399 MEXRRJPYPKCNKR-JOCHJYFZSA-N 464.591 5.330 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 22693560 COCZTPQULUVVDL-UHFFFAOYSA-O 480.482 5.388 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc(CO)c2)c(C)[nH]1 23603843 ZZIJUDDIEADFMI-UHFFFAOYSA-O 472.590 5.255 30 20 JKED COc1cccc(-n2c(SC[C@H](C#N)CCC#N)nc3sc4c(c3c2=O)CCCCC4)c1 24093977 CKCBBQQERAEVER-INIZCTEOSA-N 464.616 5.260 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 116669227 HYTKQQLJOFVYGG-QFIPXVFZSA-N 498.970 5.860 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 195695398 ZGWFEQHLFLOWCP-UHFFFAOYSA-N 492.526 5.985 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nccn4C)c3C#N)C(C)(C)C2)o1 205722862 JVHTZKPXTDAHQO-VURMDHGXSA-N 464.616 5.764 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccnc3SCc3ccc(F)cc3)s2)cc1 302936009 JGODRFHNHZDTHP-UHFFFAOYSA-N 460.559 5.684 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 480945475 NHDYNVMGSRPZNY-UHFFFAOYSA-N 461.518 5.381 30 20 JKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481172468 XGPSXQFMVIUVPR-DEOSSOPVSA-N 459.521 5.215 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 484290793 MJDBSOGWCLMWFY-UHFFFAOYSA-N 495.938 5.087 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 484570323 WUGKNTGDQBIXER-UHFFFAOYSA-N 454.555 5.149 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCO[C@H](c4cccc(Br)c4)C3)c2)cc1 486099872 ZLAKBQYTNNJGJZ-QHCPKHFHSA-N 463.331 5.327 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccc(Br)s2)cc1C 497466970 VMSSXMSWMNSNAX-UHFFFAOYSA-N 457.397 5.177 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)CC2)cc1 497923577 BZVAUKIJSUNFLE-UHFFFAOYSA-N 471.413 5.337 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 502678810 JUIZOTIGNUCXEN-UHFFFAOYSA-N 490.373 5.334 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccccc1OC 505227164 TUKCSPWMASIQCN-OALUTQOASA-N 472.614 5.651 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 509598841 HAAHNJSEOAFBKM-UHFFFAOYSA-N 468.307 5.206 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OCC(C)C)nnc1-c1ccc(Cl)cc1 511092279 HWUSMVYJGKGWQX-UHFFFAOYSA-N 456.999 5.550 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c(C(F)(F)F)c2)n1 511236735 URPLHFVDXLJNHC-UHFFFAOYSA-N 497.521 5.133 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc(Br)s2)cc1 511400431 UZYIYPRYRJTEAD-UHFFFAOYSA-N 470.392 5.520 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1C 512961403 JDMOSOONSYKINM-HNNXBMFYSA-N 477.417 5.778 30 20 JKED Cc1ccc(CC(=O)N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 513983750 TXTASEINMUKVAB-RUZDIDTESA-N 487.003 5.223 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)nnc1-c1ccccc1F 514294495 PQCOJRSCWXPNFI-UHFFFAOYSA-N 452.477 5.226 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(F)cc1Cl 514294520 YGSVMGNKXPUORF-CYBMUJFWSA-N 481.380 5.608 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nc2cc(Cl)ccc2c1=O 514364022 SWPKJFAWUSELGN-NSHDSACASA-N 452.338 5.148 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 514574985 QVZMMKFVINWTTD-UPVQGACJSA-N 466.368 5.855 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4ccccc4c4cccnc34)s2)cc1 515235710 YARNJXSGACPUTC-UHFFFAOYSA-N 453.552 5.656 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 515703380 NUJMYMVLZMPKOJ-UHFFFAOYSA-N 490.459 5.424 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Br)s2)cc1Cl 515881655 CPMFAXMHMJFEEB-QGZVFWFLSA-N 488.794 5.074 30 20 JKED CN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 515966213 RBUGIWNOTPAYGJ-OAQYLSRUSA-N 452.341 5.246 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516713652 FAFYVKAKTDSPCV-LJQANCHMSA-N 486.553 5.933 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nnc1-c1cccs1 517510962 CEQXEUSLWVKFBQ-UHFFFAOYSA-N 461.572 5.421 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)n1 517915867 SESYVQWGLKQBOK-OAQYLSRUSA-N 462.571 5.686 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 518243210 RYJZXFYFAQOLLD-MRXNPFEDSA-N 476.652 6.483 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cc2)cc1 519032004 DXXVWGPPXCMYFQ-UHFFFAOYSA-N 469.522 5.404 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(OCC(F)(F)F)cc1 520005850 HHMFQDDLCPMRPH-INIZCTEOSA-N 483.446 5.108 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 520846786 JLQKWSFGQLPOQB-XMSQKQJNSA-N 471.582 5.184 30 20 JKED C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SCCC#N)c1 521717520 ZGGGVEVJAFNDCC-GOSISDBHSA-N 477.611 5.085 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 522165522 CHRHQZIVWAAOSO-UHFFFAOYSA-N 483.522 5.006 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 522453140 OVUADXNXELLONT-KRWDZBQOSA-N 469.497 5.263 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3csc(-c4c(F)cccc4F)n3)s2)cc1 523825271 ZDKLJAFCBGTEDH-UHFFFAOYSA-N 471.539 5.356 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603449412 YYNUJCPUAVCDDL-UHFFFAOYSA-N 493.639 5.852 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)CC2)c2ccccc12 603530611 LFKZEGYVCWKGBX-UHFFFAOYSA-N 483.612 5.257 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 603590409 FGKDBVCAUNCLIN-UHFFFAOYSA-N 479.005 5.332 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 603759199 XLWCWOOYTUWWRN-IBGZPJMESA-N 464.015 6.670 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1Cl 603766753 WRUNWZJEEDDEOY-IFMALSPDSA-N 463.990 5.690 30 20 JKED CN(CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccc(Br)o1 603962209 MBKKYHUUWNWHCJ-QGZVFWFLSA-N 486.753 5.062 30 20 JKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 603993172 PRKXNNKAERATPW-UHFFFAOYSA-N 469.610 6.142 30 20 JKED N#Cc1cc(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1OCC(F)(F)F 604084272 LMYNXXDZNMEOHD-UHFFFAOYSA-N 486.425 5.212 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1 604146946 QAEVSSXSLPQFAG-VWLOTQADSA-N 473.548 5.313 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)nc4)CC3)c2c1 604362109 IVELDZITDXPTTK-UHFFFAOYSA-N 467.529 5.647 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612478153 MZVGIAWTMYKFKF-ZIAGYGMSSA-N 479.396 5.722 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 614072955 LPGDTNQAIRANDH-SANMLTNESA-N 480.637 5.321 30 20 JKED O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1cccc(C#Cc2ccccn2)c1 614556113 MROIUBXCUGOQDG-UHFFFAOYSA-N 462.534 5.415 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1cccc(C(=O)N(CC=C)Cc2ccccc2F)n1 617348334 WKWLIIYRYBGZRD-UHFFFAOYSA-N 461.512 5.017 30 20 JKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618539865 VXODAUAQVFVCJX-RYUDHWBXSA-N 466.344 6.089 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1 640548881 KRPWUCBODUOFSE-UHFFFAOYSA-N 459.549 5.126 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)NC(=O)CCS2)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281413 DYYBFRBRINCSAA-CQSZACIVSA-N 474.394 6.041 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)s2)cc1OC 642281870 VIAVEOZHWIPQRK-QGZVFWFLSA-N 461.568 5.749 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@H](C)OC)cc1 726394119 SQULSZHPPRWRSO-YCRPNKLZSA-N 490.025 5.042 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@@H](C)c1cccnc1)c1cccs1 726421611 OGSUPCXOLLXETO-URSBWBDFSA-N 499.061 5.948 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cccc(Cl)c2)cc1 726572003 LZFUCSNGPOVWMR-UHFFFAOYSA-O 467.014 5.432 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 726695343 DACBBHRZWNLEOY-RDGATRHJSA-N 481.531 5.943 30 20 JKED Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nnc2SC[C@H](C#N)CCC#N)c1 726730184 HYECQTRRTAIMHR-KRWDZBQOSA-N 486.428 6.306 30 20 JKED CCOc1ccc(OCC)c(N/C(S)=C(C(/O)=C2/N=C(C)C(C(C)=O)=C2C)\[n+]2cccc(C)c2)c1 726961533 CAJCRJOEJSHSIX-UHFFFAOYSA-O 494.637 5.398 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNCc2ccc(F)cc2F)cc1OC 727059873 DYOUOJPXUYWOTF-UHFFFAOYSA-N 462.500 5.018 30 20 JKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1nc(-c2ccccc2)cs1)C(=O)c1ccccc1 727975339 DFISZFIVQOZJDJ-LTGZKZEYSA-N 468.534 5.486 30 20 JKED COC1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 728029403 RYIRXQMYFOWMKU-UHFFFAOYSA-N 499.995 5.145 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)N3CCc4sccc4[C@H]3c3ccccc3)o2)cc1 728109035 KADOJGACXGNESH-HHHXNRCGSA-N 498.560 5.123 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CCC2)ccc1Cl 728191640 LDWBCYPHTCYVPE-JOCHJYFZSA-N 459.011 5.126 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 728423940 YNHZPXKIMAVDPI-HOYKHHGWSA-N 499.596 5.073 30 20 JKED C=CCn1c(C2CC2)nn(CN(C)[C@@H]2CCSc3ccc(Br)cc32)c1=S 728908669 IMWFTROTAPRTHA-MRXNPFEDSA-N 451.459 5.366 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)O[C@@H](c2ccccc2)c2cccc(Br)c2)cc1 729115319 SYLVKKSXRWAQJD-QHCPKHFHSA-N 498.398 5.473 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNCCCOc2ccccc2)cs1 729147464 CRIFPRIJYMHJKM-UHFFFAOYSA-N 462.497 5.239 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1 729553714 RNQCTWBYHUOATN-GGAORHGYSA-N 473.882 5.567 30 20 JKED C=CCn1c(SCC(=O)OCc2cccnc2Cl)nnc1-c1ccc(Cl)cc1Cl 729696819 ZMWYQXVGMJBAEK-UHFFFAOYSA-N 469.781 5.322 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 729891828 NSMIFFCYWMYCHI-CYBMUJFWSA-N 494.787 5.524 30 20 JKED O[C@@](CNc1nc(C(F)F)nc2ccccc12)(c1cccc(C(F)(F)F)c1)C(F)(F)F 731209992 IEVFWKSAUUSCOP-KRWDZBQOSA-N 451.317 5.448 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](CC)Oc2ccccc2C(C)C)nc1C 731225224 SOUPBHOBHIPBPC-INIZCTEOSA-N 457.625 5.104 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)c(Cl)c1 731307324 HDUWYFQHGANCJY-SPLOXXLWSA-N 498.967 5.301 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)cc2F)c1 731307972 KFDSIVSICFOQGR-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2ccccn2)c1C 731308594 OAMRTVGWONTFDS-MBSDFSHPSA-N 474.586 5.126 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCCC#N)c1 731312838 QEMXWSFFBNGVPF-QFIPXVFZSA-N 464.591 5.170 30 20 JKED C#CCN(C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1)C1CCCCC1 743692445 XMIKUMPXHBTPLF-UHFFFAOYSA-N 451.617 5.092 30 20 JKED O=C1/C(=C/c2csc(-c3ccccn3)n2)CN(CC2CC2)C/C1=C\c1csc(-c2ccccn2)n1 747319409 VXTRNIXCMWGHHP-AYKLPDECSA-N 497.649 5.485 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 748708068 RHLGSEJSLNVFGH-UHFFFAOYSA-N 459.546 5.347 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 750688760 GVBHHWDATUOJRJ-VWLOTQADSA-N 456.521 5.364 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CC(F)(F)F)C2=O)c1 799218904 KXUOOEHKEFCENG-QGZVFWFLSA-N 469.916 5.479 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1cccnc1 837301606 MBGLNDYVGBHQES-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)c1C 837401869 KCOCWQJVMCEVMS-XMMPIXPASA-N 496.652 5.276 30 20 JKED O=C([C@@H](F)c1ccc(C(F)(F)F)cc1)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 857482537 WBYQTFFRYSMXSE-SFHVURJKSA-N 479.392 5.211 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(-c3ccccc3OC)no2)c1 904269972 DDUNJXVZRCFQOJ-UHFFFAOYSA-N 481.961 5.447 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc(Oc4ccccc4)nc3)no2)CC1 904447424 COKZRQITLCTMLG-UHFFFAOYSA-N 480.484 5.428 30 20 JKED Cc1cc(C#N)ccc1Oc1ccc(-c2nc([C@H]3COCCN3C(=O)OC(C)(C)C)no2)cc1 904690733 GCAWXWJAYVHDER-HXUWFJFHSA-N 462.506 5.017 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914544684 ZOFRXAJYKPGFDZ-UNMCSNQZSA-N 471.985 5.231 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1c(C(C)C)nn(-c2ccccc2)c1Cl 914554974 CWILVBKIEFIJKN-UHFFFAOYSA-N 466.998 5.477 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 915102640 BPEMROVIXKCHMR-INIZCTEOSA-N 491.396 5.952 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 915577468 DTSYTTHVWRSPSW-AWEZNQCLSA-N 467.934 5.018 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2F)c1 916208732 ROFZUXQCYAIPOE-HSZRJFAPSA-N 493.560 5.003 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)c1 916212475 WGQAHAKBFIQVSZ-HSZRJFAPSA-N 476.577 5.041 30 20 JKED COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916244987 KPZVCYJMTYHDEK-UHFFFAOYSA-N 488.422 5.086 30 20 JKED CCOc1cc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1ccccc1 916287480 HJPGHNJLNAXGKL-UHFFFAOYSA-N 459.571 5.197 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 916904683 HVKIGCLATACBMV-LJQANCHMSA-N 478.932 5.891 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2nc3ccccc3s2)o1 916928240 WYXIROGONXVKCS-GFCCVEGCSA-N 456.310 5.824 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916946357 RVAGDSQPWZAOIX-OAQYLSRUSA-N 495.391 5.895 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 916976504 PXLBUZVVYGQTIM-IBGZPJMESA-N 494.045 5.938 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OC(F)F 917143677 MOASZJHCQATFEG-GORDUTHDSA-N 462.630 5.517 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 917538469 JGUHQZUXKWETNN-UHFFFAOYSA-N 473.989 5.772 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(Cl)c2)n1 917681067 KUIQGWPHCPRWNF-OAQYLSRUSA-N 482.968 5.343 30 20 JKED COc1ccc(/C=C2/N=C(S[C@@H](C#N)Cc3ccccc3)N(c3cccc(OC)c3)C2=O)cc1 917846654 YVEGVEQIIGVELM-RBWLTTHTSA-N 469.566 5.316 30 20 JKED Cc1sc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)c(C#N)c1C 919977563 PBEOYASFPXIXHF-UHFFFAOYSA-N 463.360 5.862 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)Nc1ccc(SC(F)F)cc1 920109018 ZYMMYGGPCLHDMT-CYBMUJFWSA-N 483.974 5.730 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(C[C@H]2CCCO[C@@H]2c2ccccc2)C1=O 920354034 YGRBKNHEXFWUEC-NMVJMZGASA-N 479.646 5.046 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)c(F)c2)C1=O)Nc1ccccc1 920357176 WDHXWWNPFNHFSG-OAQYLSRUSA-N 451.498 5.125 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 920872481 USLZOHBBDBMVIK-CLOONOSVSA-N 474.992 5.715 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C(F)(F)F)cc1Cl)C2 1779272139 SVRQBOJMIBNHGF-MEKIYTOJSA-N 498.973 5.255 30 20 JKED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1782200797 GTXHCUWTIWUSFD-POURPWNDSA-N 484.596 5.336 30 20 JKED COc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)c1 1786040891 HZXMIICQPFCUOW-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)cc2)CCC1)C(F)(F)F 1786180128 HDJDKCHLIRHNOQ-MSOLQXFVSA-N 464.434 5.321 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1786366547 FHMORTOJPZPUDM-UHFFFAOYSA-N 466.965 5.817 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3C(F)(F)F)CCC2)cc1 1786375415 XQWXFZOQWSTYBK-OAHLLOKOSA-N 464.459 5.183 30 20 JKED COc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c1 1788648438 HRAXRXOZVTUIFI-VAWYXSNFSA-N 478.545 5.083 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cnccc3C)cc2)CCC1)c1ccc(O)cc1 1788821939 UNLLTZYSIKLUJZ-QFIPXVFZSA-N 467.569 5.041 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC(c4ccccc4)=NO3)CCC2)cc1 1789450073 ZXVNMSQXVNGWQM-UKILVPOCSA-N 457.574 5.082 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CCC1 1790267328 NKNAAUXSAIODCV-HNNXBMFYSA-N 462.377 5.542 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)CCCO5)CCC3)cc2)cc1 1790707505 JSQNPOPURWITFN-UHFFFAOYSA-N 465.553 5.139 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)c(Cl)cc4F)cc3)CCC2)CC1 1790743229 PCGZNLQHEQXMHO-UHFFFAOYSA-N 490.760 5.293 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](N)c4cccc(Cl)c4)CCC3)cc2)c(Cl)c1 1790767169 LXFCVSMGWUTSET-HSZRJFAPSA-N 493.394 5.313 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)CCC1 1790810563 CAHJMNVRTUZJGU-UHFFFAOYSA-N 459.468 5.069 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccnc4ncccc34)cc2)CCC1 1790900074 BWGLGLCBJKKWCY-UHFFFAOYSA-N 484.676 5.429 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCc3cnc4[nH]ccc4c3)cc2)CCC1 1791489155 FGQFKJDWQAULNU-UHFFFAOYSA-N 456.590 5.398 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)CCC2)cc1 1791589715 QOQRPKNTXOJGRW-OAQYLSRUSA-N 495.664 5.514 30 20 JKED COc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792124686 DCOWEKPIFCAKPQ-LJQANCHMSA-N 453.542 5.384 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 1793475012 KIDVZHLWHCYUDG-KIHHCIJBSA-N 497.680 5.191 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(C#N)ccc3F)C4)ccc21 1799317259 ZQKVKOUYUMZLNA-KOUNCHBCSA-N 494.570 5.391 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccnc2SCc2ccccc2)C3)cc1 1800542457 APYXOXFYUVWIAI-QEIWAGNOSA-N 496.636 5.006 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1802489910 BHAIPVJUYZLQCB-YWEHKCAJSA-N 485.628 5.312 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1802499056 ZXZHHQKYNXQXPB-DHLKQENFSA-N 468.041 5.366 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803556228 YZBGXMVIRSYMOS-DURWQBQJSA-N 498.067 5.163 30 20 JKED CC[C@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)c(C#N)c1)c1ccccc1 1803840850 HPSINGPDJPGXED-VRTVZIHNSA-N 487.644 5.427 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803997652 ALVDQUDEVSHOGN-RNFYJSFISA-N 483.534 5.013 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1804165975 GBZVSKPJNANDQS-CUBQBAPOSA-N 485.628 5.312 30 20 JKED O=C(C1=CCCC1)N1CCCC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)C1 1808968091 ZSWUAFCVKNCIRT-UHFFFAOYSA-N 452.598 5.042 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808976565 QMHPXMOPXXMYFN-SQHAQQRYSA-N 453.586 5.323 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809441410 NAAMCRVXOHTZGP-HVETUWLQSA-N 488.078 5.224 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@H]1c1cccnc1 1810591988 XDIXKUIIHCYKAS-SNYIIPAISA-N 470.013 5.054 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@H]2c2cccnc2)c(Cl)c1 1811735197 YEAVWKQZLRXLPF-HXOBKFHXSA-N 497.357 5.033 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)[C@H]2c2cccnc2)c1 1811793514 RYIZPJZIVASVHO-JPYJTQIMSA-N 497.357 5.033 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n[nH]2)cc1 1814372041 HDLXPYKSUOKVOC-QFIPXVFZSA-N 472.936 5.036 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817738568 CBGHVTHHJZPRCH-HSZRJFAPSA-N 475.618 5.005 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817756458 ZHNJAJABCRIGNQ-GOSISDBHSA-N 489.910 5.235 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccc(C)cc2)n[nH]1 1818798848 BZPOVSDUGSMSGN-RBBKRZOGSA-N 452.624 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4ncsc34)n[nH]2)c1 1819156248 JYRHVSLLIMKNQN-KSFYIVLOSA-N 484.585 5.266 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)[nH]n1 1819555484 JACJBOWCEOITIZ-HSZRJFAPSA-N 472.593 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)[nH]n1 1819556179 XLDGRBLMQAFOAL-FQEVSTJZSA-N 468.598 5.034 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n[nH]1 1819742406 XBDVLGPWMYOGPR-MAUKXSAKSA-N 462.381 5.186 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821288510 FODQDCMRLOJZET-SFHVURJKSA-N 465.356 5.355 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 1821611156 OLAAQLUHEJYZIE-MRXNPFEDSA-N 489.504 5.050 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)n[nH]1 1821788747 VHVOWGVOTDRBDV-KXBFYZLASA-N 498.496 5.522 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1821989694 DVFAYAHHCMFLBV-INIZCTEOSA-N 490.860 5.599 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[nH]n1 1822401304 JPQNXMSHPJTIAV-WIOPSUGQSA-N 464.516 5.490 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3c1oc1ccccc13)CC2 1823089071 IZCDBQLXGWMTDU-JKSUJKDBSA-N 490.585 5.069 30 20 JKED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)c1ccccc1 1823494345 NNMJPEZXFQOCCS-HRAATJIYSA-N 461.953 5.044 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)CC1 1823673051 QMJHBUCOSVPROG-CTNGQTDRSA-N 464.437 5.390 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@H]2CNc3ccccc3C2)CC1 1824141639 YPALXDQDBMNSGD-LXFBAYGMSA-N 477.693 5.439 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1824502529 LYRWYTKIOIHXSP-RUZDIDTESA-N 484.040 5.104 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)CC1 1827720150 RUCZMMLFJRQBNK-LADGPHEKSA-N 478.662 5.207 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)oc2ccccc12 1828128502 UEOOLAAXDONXHQ-XMMPIXPASA-N 455.558 5.160 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 1828903991 QNQIETGSMWXAKX-RSXGOPAZSA-N 470.705 5.368 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2onc3ccccc23)CC1 1828906961 RUHAWPLNHHUGCQ-DEOSSOPVSA-N 479.697 5.112 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2noc3ccccc23)CC1)c1ccccc1 1829032422 JTJUTYFPLGGOAX-LBNVMWSVSA-N 497.639 5.187 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1829708902 YSJMJIRXLMXAOF-CYFREDJKSA-N 499.051 5.326 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCCCC2)CC1 1830358871 QPSIQRMVEZZWGH-DNQXCXABSA-N 489.701 5.046 30 20 JKED CC(C)(C)OCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602248 URTICCQZYYWCIP-NDEPHWFRSA-N 486.656 5.135 30 20 JKED O=C(c1cncs1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602374 XYLPOSVUZBJVTF-SANMLTNESA-N 483.637 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)CC1 1830683282 DGBQHSCONRXYET-VWNXMTODSA-N 468.638 5.014 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1830715186 QICBODOVXMGKGY-RUZDIDTESA-N 492.982 5.379 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Br)c(OC)cc3o2)CC1 1830882667 IVYPTUSOYRNQQA-IBGZPJMESA-N 489.410 5.013 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1831446445 MWOXGHXSLXLRJC-HXUWFJFHSA-N 485.600 5.599 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1)C(F)(F)F 1831448915 OIUMQHSTTQGTIW-FOIQADDNSA-N 456.936 5.182 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 1832030495 RBFVQEHCWSEBAD-JOCHJYFZSA-N 464.528 5.012 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)c1 1832630808 NDEGJYBJEGOINR-BCHFMIIMSA-N 479.571 5.068 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 1832633145 CMVBLQAXDFYMCT-UQBPGWFLSA-N 464.009 5.514 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c1 1832634243 SBBSHMBADHANBO-CLOONOSVSA-N 464.009 5.514 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1832634615 XTXHDJVMWPNMGS-UZUQRXQVSA-N 499.442 5.563 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832720571 XXIRWCMSIPBDSN-OAQYLSRUSA-N 468.947 5.396 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 1832826743 ZCMBEWOWSSDALT-DEOSSOPVSA-N 499.493 5.294 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2ccc3ccccc3c2Br)C1 1845676945 CCQYNQHKFQBGNH-UHFFFAOYSA-N 467.407 5.188 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)c1C 10168172 HEWDNVWBSVRBKU-UHFFFAOYSA-O 491.680 6.721 30 20 JKED COc1cc(-c2nnc(SCc3ccccc3C#N)n2C2CCCCC2)cc(OC)c1OC 11020226 XMQOWCQXCNFXKS-UHFFFAOYSA-N 464.591 5.640 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159532 CMBVSBGEVRYRPB-UHFFFAOYSA-O 472.461 7.018 30 20 JKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccc(Cc2ccccc2)cc1 11166481 LCSIUZAXDVTXNR-UHFFFAOYSA-O 478.062 6.639 30 20 JKED N#Cc1ccc(OC[C@@H](O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)cc1 15233935 OBYILXYGZOXYSR-GOSISDBHSA-N 498.395 5.040 30 20 JKED C=CCn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nnc1-c1cccc(C)c1 22200844 WJQPKAXTUUVUQI-UHFFFAOYSA-N 471.611 5.697 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2sc(-c3ccccc3)cc2c1=O 23559802 BAWQDAMJCMSHLZ-UHFFFAOYSA-N 493.610 5.059 30 20 JKED N#Cc1cccc(NC(=O)CCSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)c1 26226427 NYUBDRQKVDVKHV-UHFFFAOYSA-N 473.989 5.639 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 45493176 SWQPIPKYIJBXRZ-VIFPVBQESA-N 467.822 6.072 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 71844556 BTLHHOYGRXFAEC-QPPBQGQZSA-N 474.630 5.465 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 106199281 JKJNPQSHVDUUBA-UHFFFAOYSA-N 454.486 5.454 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 110216730 LHQRPULXHHJQKY-UHFFFAOYSA-N 478.908 5.629 30 20 JKED N#C[C@@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 195696774 IJVHCTWGTQLJKH-INIZCTEOSA-N 462.333 5.070 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1 247655307 OWCXHEGBBOIVSB-UHFFFAOYSA-N 493.951 5.241 30 20 JKED CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2sc3c(c2c1=O)CCCC3 255931344 XMMRQLQLSRDUHE-UHFFFAOYSA-N 476.627 5.200 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)cc2)cc1 303012836 JYOIKIPULMJTQD-UHFFFAOYSA-N 468.534 5.577 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 303336165 XODAPHZASZHGHR-FDDCHVKYSA-N 478.017 6.092 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)nnc1-c1ccc(Cl)cc1 495654564 HYGFZWPUDPNAGW-UHFFFAOYSA-N 498.052 5.210 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nc2cc(-c3ccccc3)sc2c1=O 496445861 CXFGXGUZTKJZQQ-JOCHJYFZSA-N 490.654 5.139 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 498365574 STTNCVIORRIZQU-HSZRJFAPSA-N 497.414 5.046 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 498381657 GQSVAVSLOGCVGX-SFHVURJKSA-N 483.037 5.079 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)cc1 499674972 AHQJVRUJDMVQCG-JOCHJYFZSA-N 498.352 5.655 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 502355585 QOOSHHMJNMXMHL-IIBYNOLFSA-N 479.964 5.904 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cs1 502832704 JACHRGNXDVJWKR-UHFFFAOYSA-N 493.386 5.134 30 20 JKED CC[C@@H](C)n1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1 504277961 AOCVRHURBZSFFR-HUUCEWRRSA-N 451.621 5.457 30 20 JKED CSc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)N2CCc3sccc3C2)cc1 505173869 WDXDSDLULJKTNQ-XMMPIXPASA-N 476.671 5.283 30 20 JKED C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)c1ccc(C#N)cc1 505317983 LEAYFXUZVUEOMV-HNNXBMFYSA-N 452.436 5.712 30 20 JKED C=CCN(C(=O)CCc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 508776504 CLIYIKAELPICQS-UHFFFAOYSA-N 495.453 5.672 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 509717238 UGUWBPZCUHMYOK-OFBHVFLISA-N 454.530 5.642 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)NCc2ccc(C#N)cc2)nnc1-c1cccs1 510366524 GQZYLANCLFFRBM-LRGNLBRXSA-N 477.659 5.284 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccccc2CN2CCCC[C@H]2C)cc1 510532609 GVNFYZITWFMATB-JOCHJYFZSA-N 460.622 5.197 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(N3CCCCC3)nc2)cc1 511422941 WKQVITXHVMRADY-UHFFFAOYSA-N 455.562 5.039 30 20 JKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COc1cc(C(F)(F)F)ccc1Cl)CCCC2 512108123 WKPDOPTUVXVRJI-HNNXBMFYSA-N 481.902 5.107 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 512139275 KVWOLMCFNMWVIK-OAQYLSRUSA-N 479.540 5.026 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)n2)cc1 512488500 JAJGPRYNMLNBBK-KRWDZBQOSA-N 493.997 6.276 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)c2)cc1 513069236 MWWRFESVPCSEHD-QFIPXVFZSA-N 458.537 5.119 30 20 JKED CC(C)n1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2cc(Cl)ccc2c1=O 518127697 HSWJJNAZWUXBQK-HNNXBMFYSA-N 487.050 5.613 30 20 JKED CC(C)Oc1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C(F)(F)F)c1 518168174 DLMRRNYKZNMPLE-HNNXBMFYSA-N 451.514 6.066 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1Br 518476698 BJSRWGLWYBFOIA-UHFFFAOYSA-N 451.162 5.526 30 20 JKED CCOc1cc(Br)c(CC(=O)Nc2ccccc2SCCC#N)cc1OCC 518649282 ZWXRGVYAGQLWIJ-UHFFFAOYSA-N 463.397 5.433 30 20 JKED CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1SC[C@H](C)C#N 520811917 BTORBOJVWMNRLG-CQSZACIVSA-N 461.381 5.311 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521209735 IVILTELLZQHASY-QGZVFWFLSA-N 491.667 6.559 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)cc2)cc1 521356109 KBHKNDPRTWPPIK-UHFFFAOYSA-N 458.495 5.170 30 20 JKED N#C[C@@H](NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1ccc(OCc2ccccc2)cc1 521500243 FITVFZGRYSNABL-HHHXNRCGSA-N 467.569 5.067 30 20 JKED CC(C)(C)OCc1cccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 523895427 LUOJPRKYCQUREX-UHFFFAOYSA-N 467.620 5.339 30 20 JKED C=CCn1c(SCc2nnc(-c3c(Cl)cccc3Cl)o2)nnc1-c1cccc(C)c1 523950456 NDNUGZHOZXQJDY-UHFFFAOYSA-N 458.374 6.089 30 20 JKED CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524406498 HCVZIWWGFFLYHL-UHFFFAOYSA-N 483.977 5.195 30 20 JKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524439148 JHXIXKOPMQXHTA-UHFFFAOYSA-N 476.964 5.510 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1 524563131 BOGACNSSAXZBDZ-SJORKVTESA-N 478.643 5.495 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ncon3)cc2)c1 588829668 UMKZXNYYPXVMOY-UHFFFAOYSA-N 494.960 5.024 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)c3c4c(nc5ccccc35)/C(=C/c3cccs3)CC4)CC2)c1 603461356 YGHFQDOUPIHOIS-LVZFUZTISA-N 477.593 5.012 30 20 JKED Cc1ccccc1-c1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2cnn(C(C)C)c2n1 603527184 DSPOKROOXKWKCP-UHFFFAOYSA-N 451.574 5.910 30 20 JKED Cc1noc(CSc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 603766056 LLMVHWQAHMKDCN-NRFANRHFSA-N 474.973 6.232 30 20 JKED N#Cc1c(NC(=O)c2cccc(NC(=O)c3cccs3)c2)sc2c1-c1ccccc1CC2 603991538 BRANGRVXEARQOW-UHFFFAOYSA-N 455.564 5.951 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1NC(=O)c1ccco1 603995326 CNQPWNCQEWWBEO-UHFFFAOYSA-N 464.481 5.217 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N3N=C(c4ccco4)C[C@H]3c3cccs3)c2)c1 604007125 OGQXQCACZZXAEG-DEOSSOPVSA-N 482.565 5.582 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604234712 ICSSISYBISMWQT-ZDUSSCGKSA-N 456.271 5.053 30 20 JKED Cc1csc(-c2cccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)n1 608808508 PANPKVAMMWGICQ-UHFFFAOYSA-N 459.531 5.093 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1 608892017 YIVBJOQULZFUNB-UHFFFAOYSA-N 466.516 6.161 30 20 JKED Cc1ccccc1Nc1nc2sc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2s1 608968075 NOVLUZXNQPVSEG-UHFFFAOYSA-N 474.615 5.075 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nc(C2CC2)no1 609047259 VYZUCLJUWKYBLZ-HXUWFJFHSA-N 451.914 5.783 30 20 JKED Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)n1 609078912 CVJZXNDDOUWXCF-QHCPKHFHSA-N 483.572 5.032 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 609207076 GOHOVTACFNFSLU-UHFFFAOYSA-N 466.541 5.279 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 609434929 CXBYZEXSQZPGIS-IBGZPJMESA-N 455.587 5.801 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)cc2)c1 609437276 XZBAZHJPCQRSPC-HXUWFJFHSA-N 483.503 5.951 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(Br)cc3Cl)cc2)c1 609438687 SNMLLOGWNMSARZ-UHFFFAOYSA-N 484.737 5.021 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 609439403 NOPZAGJIDTXNKA-KGLIPLIRSA-N 450.391 5.246 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)(C)C)n2)cc1 613318771 DASJXBVEWMYEKK-HXUWFJFHSA-N 469.614 6.294 30 20 JKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1nc2ccccc2n1C(F)F 613404151 NZPZTKLLIFQJOV-OAHLLOKOSA-N 478.459 5.370 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccccc4Cl)s3)n2)cc1 622978245 MUNLDSPDJFLPKX-MRXNPFEDSA-N 451.960 6.086 30 20 JKED C=CCn1c(SCC(=O)NC[C@H](c2ccsc2)N(C)C)nnc1-c1ccc(Cl)cc1Cl 642063551 JWCPCPPRSREJDN-GOSISDBHSA-N 496.489 5.011 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1NC(=O)c1ccco1 642281714 CLWJSVIVXVQBIC-SFHVURJKSA-N 461.930 6.107 30 20 JKED Cc1cccn2cc(COc3ccccc3C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)nc12 642282441 RRSQPVWCFNLHAC-LJQANCHMSA-N 471.467 5.457 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCc3ccccn3)C2=O)cc1 726422277 WBNREPQONAXHRX-ULOJKKRISA-N 478.643 5.084 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2ccc(Cc3ccccc3)cc2)c1 726573303 WVVIJBBGLLVMOV-UHFFFAOYSA-O 491.636 6.187 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)nc1 726888202 BBYQISDEQJWNSS-INIZCTEOSA-N 481.405 5.157 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(Cl)nc2)[n+]2ccc3c(c2)CCCC3)N=C1C 727161712 NKDAJNONXJGRAR-UHFFFAOYSA-O 482.029 5.219 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 728182022 QMDVFYFKIXZQOB-UHFFFAOYSA-N 469.031 5.530 30 20 JKED N#C[C@H](C(=O)C[C@@H](c1ccccc1)N1CCOC1=O)c1nc2cc(C(F)(F)F)ccc2s1 728411749 KTWIEURPHMQKAT-WBVHZDCISA-N 459.449 5.075 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(F)c(Cl)c1 728777740 NOFAPFDZRWBIAZ-FQEVSTJZSA-N 483.956 5.005 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 729634403 LSNVOARFZLUQKV-OAQYLSRUSA-N 482.968 5.343 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)CNc3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@H](C)O1 729675587 MGMADBOMNSGWQV-PMACEKPBSA-N 456.546 5.015 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCc3c(C)noc3C)C2=O)cc1 730443571 PQBFQDCWJPEIOO-JCPNLMEESA-N 496.658 5.294 30 20 JKED N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 730684768 DAFNXGABNHMHLL-SOUVJXGZSA-N 458.370 5.562 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cocn2)cc1 730715247 CKZJWEQQSMUPFB-QFIPXVFZSA-N 462.575 5.178 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1C#N 731062626 GAIHWGUKXHUCNU-GOSISDBHSA-N 455.539 5.273 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1 731070175 NSXNZOVNUAGIAY-OAHLLOKOSA-N 481.599 5.174 30 20 JKED COc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(C)c2)ccc1C 731306252 AAYMSRSAAGZKNU-DEOSSOPVSA-N 489.597 5.178 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cscn2)C1=O)Nc1cccc(O)c1 731312168 IPYPJRVFLFOCTK-QFIPXVFZSA-N 488.594 5.162 30 20 JKED CC(=O)CCc1ccc(OCCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 747029129 ICMHBWIIODCUPJ-SFHVURJKSA-N 454.498 5.255 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cscn2)C1=O 747602134 JCFQHWKYTRPKEP-HXUWFJFHSA-N 496.017 5.137 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccccc1F 747602320 ZNIZRTIPSHWKNU-GOSISDBHSA-N 492.960 5.235 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1F)c1nc(-c2ccccc2)cs1 748003508 ABKGTZMIKBWQPI-INIZCTEOSA-N 461.381 5.821 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2cnc3c(c2)c(C)nn3C)C(=O)c2ccccc2)c(Cl)c1 750901286 DHVPOLPFVNPOKU-BKUYFWCQSA-N 458.949 5.452 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccncc1 831907189 PTXGMYKALFJXMM-KRWDZBQOSA-N 471.611 5.836 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N([C@@H](C)CCc2ccco2)C1=O 837831757 IBOPRRBGEYITQC-CYFREDJKSA-N 491.613 5.578 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)cc1 837952538 RHCDLXZXINUBOE-CJFMBICVSA-N 486.641 5.982 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)N1C1CC1 838526045 MYQLQGJXYDHLRL-GOSISDBHSA-N 477.558 5.133 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914694949 ZIEFHXJUARSVPF-HRAATJIYSA-N 451.523 5.010 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)CC1 914850270 JHODKFCTDICRAY-CSKARUKUSA-N 464.978 5.168 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@H]1c1ccccc1OC 915085096 GCHNDYYBNOWZEP-FEVNIDIWSA-N 495.623 6.069 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1 915087107 ZWIFDYHNIQPYJR-HSZRJFAPSA-N 457.331 5.543 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 915088116 ZMOGNUCPFFQTGW-LJAQVGFWSA-N 473.576 5.986 30 20 JKED COc1ccc2c(C)c(CCC(=O)[C@H](C#N)c3nc(-c4ccc(C)cc4)cs3)c(=O)oc2c1 915100306 OYDIGBIIXSVIPB-NRFANRHFSA-N 458.539 5.351 30 20 JKED CCOc1cc(/C=C(\C(=O)Nc2cccc(OC)c2)C(=O)c2ccccc2)cc(Cl)c1O 916156174 KZAAWTJWEJFZOT-NDENLUEZSA-N 451.906 5.358 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(C)c1C 916207513 FTKHTTDKVJLZAF-LJQANCHMSA-N 472.408 5.212 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(OC)cc1 916213357 BQLXQBZTMCXLGZ-JOCHJYFZSA-N 467.591 5.048 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccn2)cc1 916214910 QIVWYQIDFWRPBP-VWLOTQADSA-N 496.592 5.404 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2ccco2)C1=O)Nc1ccccc1F 916217430 NCJBCDUKVVNADF-HSZRJFAPSA-N 473.529 5.732 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCc1ccc(F)cc1 916283777 SLUVJXATCBAVGI-UHFFFAOYSA-N 499.567 6.042 30 20 JKED CCCOc1c(Br)cc(C=Nn2c(S)nnc2-c2ccccc2OC)cc1OCC 916541445 VUAFTUQIWKPRLA-UHFFFAOYSA-N 491.411 5.075 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 916914723 SEKIWINHOQLBQS-VWLOTQADSA-N 478.552 6.016 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1Cl 916915329 IGJLZGSOBHOADJ-QFIPXVFZSA-N 484.939 6.042 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 917043898 QSIVAICPBHSWOP-ZDUSSCGKSA-N 494.907 5.987 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc([C@H](C)N(C)C)n(-c2ccc(Cl)cc2)c1=S 917458192 VNQWNXDYYNQOST-SFHVURJKSA-N 469.058 5.421 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H]2c2cccc(Br)c2)c1=S 917481824 BJBDIGSVNIGKEK-OAQYLSRUSA-N 490.515 5.186 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/SC(=Nc3cc(C)ccc3C)NC2=O)cs1 917562487 IDTCGSZEAJOSPQ-CIAFOILYSA-N 462.600 5.645 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2csc(-c3cccc(Br)c3)n2)cc1 917589225 CBZHMZRYMASGMI-UHFFFAOYSA-N 486.420 5.401 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C#N)cc1 917658562 LOXHKXRQXOJPMT-QHCPKHFHSA-N 486.572 5.475 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 917666836 NNLNQTZIPVCRDR-OAQYLSRUSA-N 467.312 5.493 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 917698884 LFSPYCWZPCROBM-JOCHJYFZSA-N 483.540 5.115 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1C#N 917702933 WXRCMKHPJXNQFH-SFHVURJKSA-N 472.542 5.019 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)cc1 917703087 KRMHRCHHKJWKON-QHCPKHFHSA-N 472.545 5.166 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 918299871 ZYXSHYKFSAOVBO-QHCPKHFHSA-N 480.593 5.296 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 919815351 XNRJCMCXJJGKEZ-HHHXNRCGSA-N 485.543 6.522 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 919883456 DQDPERDMGOTQDP-MRXNPFEDSA-N 454.646 5.577 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 920105848 GJKPGSLTODGFMN-IBGZPJMESA-N 486.915 5.855 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 920111241 KAXKTOZGERVAGY-MRXNPFEDSA-N 467.234 5.159 30 20 JKED N#C[C@H](C(=O)CCCOc1ccc(I)cc1)c1nc(-c2ccccc2)cs1 920113806 PPDOCFPFQHVFHO-GOSISDBHSA-N 488.350 5.450 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 920144139 XWESTASCNVEIOA-IBGZPJMESA-N 499.552 5.031 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)s1 920167855 FKHXMSYSGMKCIW-KSFYIVLOSA-N 492.601 5.789 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 920357038 SUSLCEDSUXHMDP-QFIPXVFZSA-N 497.020 5.668 30 20 JKED COc1cccc(C=Nc2ccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)cc2)c1O 920942620 IHNQEGCBYIHGDY-UHFFFAOYSA-N 467.437 5.013 30 20 JKED CC(C)(C)OC(=O)N[C@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)C#N)cc2)CCC1)C1CCCCC1 1785936728 UHFYWVITIRQSEG-QFIPXVFZSA-N 496.652 5.144 30 20 JKED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCCCCCCCCCc4ccccc4)C[C@@H]32)CC1 1786698578 JZCWRNLWGHHZQW-QKDODKLFSA-N 493.692 5.023 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3csnc3C)cc2)CCC1)NC(=O)OC(C)(C)C 1787193325 BWBOMDHOSNNJET-HXUWFJFHSA-N 498.649 5.059 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ccccc45)cc3)CCC2)cc1 1788244457 QXFHGKMSRPPNGU-UHFFFAOYSA-N 476.580 5.614 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnn4c(-c5ccsc5)ccnc34)cc2)CCC1 1788394577 IFKWKNICDWBVTA-UHFFFAOYSA-N 483.597 5.009 30 20 JKED COc1ccc(-c2cc(C(=O)Nc3ccc(C4(NC(=O)[C@H](S)C(C)C)CCC4)cc3)no2)cc1 1788681719 CETJQMFSCDVSTH-HSZRJFAPSA-N 479.602 5.052 30 20 JKED Cc1ccnc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)c1 1788713923 DXVZTTVIYYHBIL-UHFFFAOYSA-N 468.557 5.110 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Br)cn34)cc2)CCC1 1789394828 JOUDFHFZOLIWLT-UHFFFAOYSA-N 493.405 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(C)nc4sccn34)CCC2)cc1 1789626431 NYAJGZJJWWZLSZ-UHFFFAOYSA-N 450.608 5.444 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnn4C(C)C)cc3)CCC2)cc1C#N 1789801985 MWFZAFRUNRLULM-UHFFFAOYSA-N 485.588 5.184 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2)CCC1 1790079799 QHTAMENBOIMKTI-GOSISDBHSA-N 475.589 5.146 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)c1Cl 1790081695 CZOIZXCTJJOWNL-UHFFFAOYSA-N 498.892 5.687 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ncccc5[nH]4)CCC3)cc2)c1Cl 1790083030 WSGBSIQPNNTOOW-UHFFFAOYSA-N 469.932 5.149 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC[C@H](C(F)(F)F)CC4)CCC3)cc2)c1 1790148526 VNXAPPNQEDYKDP-SAABIXHNSA-N 458.484 5.003 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc5scnc5c4)CCC3)cc2)ccc1F 1790520171 HZMLSJFQNVHHAP-UHFFFAOYSA-N 484.556 5.297 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccoc45)cc3)CCC2)c1 1790956880 NXHBFTAWTMRGME-UHFFFAOYSA-N 453.473 5.505 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CCC2)cc1 1791254215 MJKHJLVAPJVPFD-JNMQVBFRSA-N 478.589 5.072 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@]3(C)CC3(F)F)CCC2)cc1)c1ccc(O)cc1 1791645785 PRNRRTFHXLVVME-KBMIEXCESA-N 466.528 5.069 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3c(Cl)ccc4c3OCO4)CCC2)cc1 1791727308 AZOAXKBBVPNMGV-UHFFFAOYSA-N 452.938 5.010 30 20 JKED CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cn1 1792122617 OWUGBGSJPJMCKI-IBGZPJMESA-N 452.558 5.333 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)nc4)CCC3)cc2)cc1C#N 1792169535 PIGRUYZJRYPBSH-UHFFFAOYSA-N 488.975 5.455 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C34CCC(CC3)CC4)CCC2)cc1 1792331633 AHIDBYDYNNYMPR-BPNDJBKRSA-N 493.648 5.008 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)C2 1792567378 IQWFQNPRMHYGRT-UEQSERJNSA-N 497.680 5.191 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3c(s1)CCN3C(=O)OC(C)(C)C)C2 1798334975 QVTCRPTUWTUBEF-IYWMVGAKSA-N 499.677 5.066 30 20 JKED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1798573930 FXFFAGMSXHSLTM-AEHXPESNSA-N 492.582 5.169 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)nc2ncccc12 1799156012 KORJMXDKLODMSF-UEQSERJNSA-N 480.612 5.317 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@@H]1c1cccnc1 1802499729 IHFPUXRHTVIYBY-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1803078876 DZHXQCNFUJBHGR-QKDODKLFSA-N 459.634 5.296 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCCc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1803493151 RSEATGYCXCFGHI-SWHJIRTISA-N 487.566 5.341 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC2(CCCN(C(=O)/C=C\c3c[nH]c4ccccc34)C2)CC1 1806876848 PIEYYAOABPMTOT-LCYFTJDESA-N 486.015 5.117 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1810448765 XVYKJNHWSSQKQB-FWDASRDPSA-N 479.624 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)[C@@H]1c1cccnc1 1810504334 YKVHPSPGUNQLCE-ZEQKJWHPSA-N 488.632 5.052 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1812514510 UXEWBVKFBOTGKC-ATIYNZHBSA-N 478.036 5.056 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1812588055 ZEHRFSKGHUDOTM-WVCKHHOPSA-N 464.997 5.057 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1812670915 TZBVVYQZMIADSD-BWKNWUBXSA-N 491.538 5.405 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1)C(F)(F)F 1812678527 FZBUKHGJCXNXEI-QPPBQGQZSA-N 497.492 5.326 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3cc(Cl)ccc3Br)[nH]n2)C1 1814397533 PQEBRQOJPZHFFX-LJQANCHMSA-N 491.817 5.027 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3OC(F)(F)F)[nH]n2)C1 1814397695 SENALUCZJQZJLY-QGZVFWFLSA-N 482.890 5.234 30 20 JKED Cc1ccc(NCCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)c(C)c1 1814740795 QXPUFRMKJSWKNY-SANMLTNESA-N 498.631 5.025 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCN(c3ccccc3)CC2)n[nH]1 1814811969 JZDJADOXMOWROP-RUZDIDTESA-N 475.637 5.087 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)s3)n[nH]2)c1 1816400310 JEPKGQVRFFKFSZ-KBXCAEBGSA-N 467.982 5.371 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cccs3)n[nH]2)cc(C(F)(F)F)c1 1817495787 MIASCSJTQGJKAU-YJJPMGAVSA-N 499.518 5.381 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1)C(F)(F)F 1818985169 FARBWNQGMPMSCR-KRWDZBQOSA-N 499.415 5.334 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820149279 OJSAFZXNIGQFIF-GBXCKJPGSA-N 481.600 5.848 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1)c1ccc(F)cc1 1820486535 QUELPOKUEOAFBK-ZCYQVOJMSA-N 473.552 5.166 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)c(Br)c2)n[nH]1 1821107162 IRFJLFVFQFGBEA-UGSOOPFHSA-N 479.806 5.344 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1)C(F)(F)F 1821216025 WFJXMYIJNHZEKA-MRXNPFEDSA-N 488.869 5.025 30 20 JKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)[nH]n2)cc1 1821226031 VHQINJRIZPDZKX-TWKIEXGSSA-N 495.583 5.403 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)n[nH]1 1821287295 SCLCRPOWBZOSKT-OAQYLSRUSA-N 497.571 5.005 30 20 JKED O=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1cc([C@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1 1821860065 PITIYPFFTIHTOU-MRXNPFEDSA-N 494.411 5.145 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1821919394 UOYPAKNQZWEOGS-DYVFJYSZSA-N 457.987 5.191 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](F)c2ccccc2)[nH]n1)c1ccc(O)cc1 1822465107 LHGAHBPDXVEMDH-YEEURNOCSA-N 488.563 5.015 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1822582669 RVYHERWTDDAISJ-GOSISDBHSA-N 465.356 5.355 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(Br)s2)n[nH]1 1822728586 WKHQMWWJURVMKP-LOWQCSRCSA-N 499.381 5.151 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)n[nH]1 1823520252 UUKZMBUERIJKJP-ICSRJNTNSA-N 489.661 5.088 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CC2)C1 1823703134 OUMBUICBXUQJHG-NTKDMRAZSA-N 476.583 5.481 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)CC1 1824053421 XSTSVZMCOGKSOC-RDPSFJRHSA-N 495.714 5.353 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1824139143 GGRJBJAODSJQFB-NDEPHWFRSA-N 489.660 5.692 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1824961655 VTUSGGZUNWHZCL-OAQYLSRUSA-N 483.049 5.030 30 20 JKED Cc1csc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1825206903 ZAOUIQDFANLGDU-RCHCNPRSSA-N 484.687 5.109 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)CC1 1826371075 NFPWRSQWQRGWLL-RUZDIDTESA-N 454.655 5.240 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826479213 OVINUPOTHAQKNP-HXUWFJFHSA-N 472.498 5.079 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)CC1 1826682679 GLRZFVAAOIYMHW-SFHVURJKSA-N 456.011 5.092 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)cc1 1827414219 RKMXRTQDPWNIKG-QFIPXVFZSA-N 461.587 5.107 30 20 JKED Cc1ccc2cc(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)ccc2n1 1827696813 FTTMRNYPEQIBJK-AOMKIAJQSA-N 495.608 5.166 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828495141 DCCFBDSBWVDQJB-SANMLTNESA-N 498.067 5.413 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)c1 1828550377 UAPYFYOOFWTAIM-NRFANRHFSA-N 493.654 5.390 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(OC(F)F)cc2Cl)CC1 1828821981 AZWFWMXUQUEIJJ-CTNGQTDRSA-N 495.998 5.338 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2Cl)N(C)C)CC1 1828830108 LAHWNYSXTBVGCH-DNRSQYFGSA-N 486.100 5.331 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nccc3occc23)CC1)c1ccccc1 1829033441 UNWOZXWLIXOJBF-AHWVRZQESA-N 483.612 5.258 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3c(c2)CCCO3)CC1 1829066853 WTLZVYRGZMSASB-VWLOTQADSA-N 466.666 5.166 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1829568662 ASNFTCJBFOGXFI-RCZVLFRGSA-N 494.661 5.011 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)c1 1829677088 IXFSVUNLYTVTMS-NDEPHWFRSA-N 487.644 5.166 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829923963 CBGYZLHLXHTQLC-XMMPIXPASA-N 480.008 5.157 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3N=C(C)CC3=O)cc2)CC1 1830074548 FDOZKLRNRLCNII-VWLOTQADSA-N 492.664 5.025 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1830628808 MCTOXUKXZJUFMN-NDEPHWFRSA-N 492.623 5.362 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1830753815 BRVVPNDGOJGIHY-MHZLTWQESA-N 484.644 5.096 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3)CC2)cc(C(F)(F)F)c1 1830756750 UMWNWFYLGDECIC-DEOSSOPVSA-N 483.534 5.053 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CCC1 1831306617 YMGHDSORXHSUBQ-QHCPKHFHSA-N 468.041 5.075 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1831849295 SEAAKBFWJXLVCT-JOCHJYFZSA-N 454.014 5.167 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1831851639 OTNPOFCFRBBFFG-JOCHJYFZSA-N 461.631 5.191 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1831853862 GZUGNYXRFYPUBR-JOCHJYFZSA-N 450.545 5.224 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 1832024677 BXDHIQWZJABLMA-JOCHJYFZSA-N 477.418 5.015 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc4sccc4s3)CC2)CC1 1835538874 LXFUWIAEILVZPA-UHFFFAOYSA-N 473.708 5.140 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CC2(CCCN2C(=O)C2CCC(C(F)(F)F)CC2)C1 1841799680 SJURGZJTPOVQPC-UHFFFAOYSA-N 480.424 5.030 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1847348256 YQDUGVPWJGGNIS-SFTDATJTSA-N 461.528 5.118 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 10167423 RZRLZYNYQMGRQW-UHFFFAOYSA-O 478.638 5.362 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c1 10174503 GLQLXOJWKYKJDE-UHFFFAOYSA-O 451.615 6.178 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 11149443 ULOQLVYPNNUORL-UHFFFAOYSA-N 465.381 5.328 30 20 JKED N#CCCNC(=O)COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 11444050 QXGORNNVKDZQOB-UHFFFAOYSA-N 462.720 5.049 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)/C=C/c2ccccc2C#N)cs1 11541623 XETKAUKIPPNRJM-MDZDMXLPSA-N 471.460 5.475 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccc(N(C)C)cc2)cc1F 14872296 VVLIPGLAIVDAER-UHFFFAOYSA-O 477.412 5.845 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 14872566 RSRXNBVPRHJRDU-UHFFFAOYSA-O 489.495 5.003 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 21750981 ROWWXQVGRXBRBU-OAQYLSRUSA-N 499.615 5.868 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccccc1C(F)(F)F 22695084 GAWKIYQRSSNQMW-UHFFFAOYSA-O 488.511 5.823 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)cc1 22730152 XIRCEDCPSOFPNJ-UHFFFAOYSA-O 469.586 6.216 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)NCCc2ccccc2)[n+]2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 22791169 UNKJRJOJYHMXBD-UHFFFAOYSA-O 476.622 5.259 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)ccc1Cl 28018407 ZGDNOKCNRHLVHI-MRXNPFEDSA-N 467.418 5.247 30 20 JKED COc1ccccc1-c1nnc(SCC(=O)N(C)C2(C#N)CCCCC2)n1-c1ccc(Cl)cc1 29832296 LTRPEHZPEOOZCB-UHFFFAOYSA-N 496.036 5.373 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)c2)c1 32291638 HZGNSSKOEQWTBX-UHFFFAOYSA-N 473.488 5.190 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 32659210 WIMCEWHKGBBCLA-UHFFFAOYSA-N 464.831 5.334 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 36798249 UWLFIKOUJXOLAS-UHFFFAOYSA-N 467.904 5.057 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 169186259 OPVRKWJLKMOAQE-UHFFFAOYSA-N 493.654 5.609 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 195652483 AXMOGZJVTYVJCS-UHFFFAOYSA-N 453.464 6.014 30 20 JKED CCOc1c(OC)cc(/C=C2\CCC/C(=C\c3cc(OC)c(OCC)c(OC)c3)C2=O)cc1OC 206876943 VLILXABKTJJRGX-ZIOPAAQOSA-N 482.573 5.738 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 255930869 PLJOYFSQZREJHL-CVEARBPZSA-N 474.989 5.194 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 409525154 ICDDVVVTKKUPBU-UHFFFAOYSA-N 496.371 5.229 30 20 JKED N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1 409866679 YWHWYMJEUUQNPR-UHFFFAOYSA-N 457.505 5.297 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 409929031 BMMLJNTXPXKQKV-GOSISDBHSA-N 480.611 5.654 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 481382266 OSNJAOJOBDFECZ-UHFFFAOYSA-N 499.976 5.499 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3Cc3ccccc3)c2)cc1 484146530 YYDBGBUNZCUPKO-LSYYVWMOSA-N 481.596 5.188 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)o2)cc1 487998487 XFTLWFIYEISZMZ-UHFFFAOYSA-N 488.544 5.077 30 20 JKED C=CCN(C(=O)Cc1coc2c(C)c(C)ccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491074256 ICLYZWWUXRGUEC-UHFFFAOYSA-N 480.611 5.338 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1C 498310669 TYHYSCIIPAJMOT-HXUWFJFHSA-N 455.606 5.565 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)s3)CC2)c1 501755197 UYCNAUYUGRNIKB-UHFFFAOYSA-N 484.408 6.084 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 504762294 MMODDCHKINYNPU-OPAMFIHVSA-N 458.949 5.763 30 20 JKED COc1ccc2cc(CN(C)C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)ccc2c1 509889041 DCOWLMKPHBFMDG-UHFFFAOYSA-N 465.553 6.157 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510655986 CSFBAQCGKAYIAV-XMMPIXPASA-N 457.530 5.572 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 510889899 KGZZYAHBLZYPKC-UHFFFAOYSA-N 488.975 5.231 30 20 JKED Cc1cc(-c2noc(CCC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)n2)ccc1F 511613544 COEZDUSUBZVCRU-UHFFFAOYSA-N 472.495 5.669 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 513062182 FHMXGCYAXVRWDY-NRFANRHFSA-N 458.537 5.119 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1OC 514607619 STNKVCFLGUJPLA-UHFFFAOYSA-N 453.589 5.211 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 514874321 PYSVZEAMLGDXIE-RUZDIDTESA-N 475.662 5.273 30 20 JKED C[C@H](c1ccccc1)n1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1 515490006 WPOWBBREMRDTJZ-GOSISDBHSA-N 499.665 6.097 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(CC(=O)N(CC)c3ccccc3)cc2)cc(OC)c1OC 515689485 ZDPNHHPYCWNQMB-UHFFFAOYSA-N 458.558 5.280 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3SCc3cn4ccccc4n3)n2)cc1 516270240 QTEOJEUBUCDKFW-QFIPXVFZSA-N 496.617 6.249 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(NC(=O)C(C)(C)C)cc3C)n2)cc1 516713592 ADTCJOAEWSQVLD-MRXNPFEDSA-N 453.589 5.663 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)cc2)c1 517514020 RJMRZXTZQHADRO-UHFFFAOYSA-N 456.527 5.121 30 20 JKED CCCN(Cc1ccc(C)cc1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 519442224 ALLFKQYKCNJFGR-UHFFFAOYSA-N 463.525 5.397 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 520853263 KRRHKDIFBUSKQS-MHZLTWQESA-N 450.542 6.899 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Br)ccc1I 521091750 FOKOMGOYQZKBBL-UHFFFAOYSA-N 496.146 5.145 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 521542188 LKZDVCBGWGAZLS-UHFFFAOYSA-N 453.336 5.165 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 523372924 TUFGSUMJDCKGOG-IBGZPJMESA-N 484.581 6.380 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc(Cl)c3c(c2)OCCO3)cc1 523597017 SBBDCJBLZAPIMZ-UHFFFAOYSA-N 465.912 5.034 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 523914650 JZUUEMQPKJURPU-XMMPIXPASA-N 475.932 5.219 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1C 524422777 FALNCEBGTFLYKI-UHFFFAOYSA-N 451.910 5.165 30 20 JKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 588954208 VHMUFXSGWLASON-AOOOYVTPSA-N 476.299 5.350 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(-c4c[nH]c5ccccc45)o3)c2C#N)C1 589939160 VTWBXKHEZPYMDB-ZDUSSCGKSA-N 463.588 5.397 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)N(CC(C)C)c3ccc(C#N)cc3)CC2)c2ccccc12 603529925 VVXWLZIBIGKZSF-UHFFFAOYSA-N 469.585 5.261 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)cn2)c1 603621917 CVRRBFIXCIIQKF-VWLOTQADSA-N 462.509 5.245 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C(C)C)cc1 603704675 RTLGPQMLPVNPHL-XMMPIXPASA-N 456.546 5.321 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1[N+](=O)[O-])c1ccccn1 604302692 OPPPTJXHFPKDIY-KRWDZBQOSA-N 480.484 5.474 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 609177261 NOPNJCPOHTULND-UHFFFAOYSA-N 489.959 5.503 30 20 JKED Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccccc3SC[C@@H](C)C#N)nc2n1 609376506 CWAOMKIJIPDVGD-INIZCTEOSA-N 488.642 5.538 30 20 JKED N#CCCSc1ccccc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 609385746 HWZYDKMLWWOKPY-NRFANRHFSA-N 470.554 5.821 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2ccc(F)cc2Cl)cc1 609405525 UNWKEPYBZBSPHH-NRFANRHFSA-N 456.304 5.157 30 20 JKED CC(=O)c1ccc(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)o2)cc1 613346252 GFHGHRDQZJLIGU-GOSISDBHSA-N 481.360 7.070 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)c(OC)c1 614888619 HCQJLMMNVNOXLP-KRWDZBQOSA-N 456.970 5.109 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2cccc(Br)c2)C(C)C)cc1 620507637 NTOIZQDCKKSZMN-UHFFFAOYSA-N 470.411 5.706 30 20 JKED N#C[C@H](C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1ccc2ccccc2n1 623173851 GCZAYYSTSQJPRS-KRWDZBQOSA-N 480.877 6.071 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c1 635827913 AWHVPWMVOFIDRZ-QGZVFWFLSA-N 485.009 5.141 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 642158236 PWKSAQLENUFPIU-FOLVSLTJSA-N 488.407 5.441 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc(C3CC3)nc21 642282247 XPUBVCCLMGCPML-OAHLLOKOSA-N 469.492 6.008 30 20 JKED C=CCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1nc2c(s1)CCCC2 680435909 YJPCILVZLGRMCP-UHFFFAOYSA-N 459.493 6.061 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccccc2)C1=O 726113610 ZHWMAWVCKTVHRK-PNJMJVHGSA-N 493.032 5.115 30 20 JKED Cc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc3c(c2)Cc2ccccc2-3)cc1 726569700 HUOLZDICJCKGLI-UHFFFAOYSA-O 478.597 5.360 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)s2)[n+]2ccc3c(c2)CCCC3)cc1Cl 726572129 SWRAVYMXPYTGAK-UHFFFAOYSA-O 487.457 6.416 30 20 JKED N#C[C@H](C(=O)CNC(=O)CCC1CCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 726732036 SHEFGHQPMCWEQA-MRXNPFEDSA-N 450.391 5.380 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CC[C@@H](C)OC)cc1Cl 726889778 HDRSWSNAVVAIFW-IIBYNOLFSA-N 490.025 5.042 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(OC)nc2)s1 726890352 VUJDAAZVHDEHCN-HXUWFJFHSA-N 498.605 5.014 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1 727027386 KPAZQDQYDOYOAJ-NDEPHWFRSA-N 464.544 6.153 30 20 JKED COc1cc([C@@H](C#N)NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC 727646835 GQRXPATZZADVGL-DWTRPJMMSA-N 488.384 5.144 30 20 JKED CCc1c(C)sc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)c1C#N 727790344 CPWSZSFOGSAKEN-UHFFFAOYSA-N 491.997 5.361 30 20 JKED N#C[C@H](C(=O)CCCCc1ccc(I)cc1)c1nc2ccccc2s1 727952671 PJECEGDVBANYHI-MRXNPFEDSA-N 460.340 5.490 30 20 JKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)on1 728000048 RQZWQARDZQLWMP-UHFFFAOYSA-N 489.984 6.632 30 20 JKED O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3csc(-c4cccs4)n3)cc2)cc1 728439997 QQXPGOXFQFTFBA-FMIVXFBMSA-N 496.591 5.267 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(CCCCC#N)C2=O)cc1 728778642 DQLQZJKRBQDWDF-JOCHJYFZSA-N 482.581 5.187 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ncccc3C)C2=O)cc1 729633292 CRVGFGCBHLGGTA-HSZRJFAPSA-N 492.576 5.088 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc(-c3ccccc3)nc21 729888431 FZTLDNCPWFDPQW-HSZRJFAPSA-N 473.536 5.794 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(C2CCC2)C1=O)Nc1ccccc1Br 730461382 NLGMBUGCFKNPEH-GOSISDBHSA-N 492.826 5.615 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1OCC(C)C 730583050 BAWDGJWAYLZAKH-UHFFFAOYSA-N 481.405 5.378 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cocn2)C1=O)Nc1ccccc1F 730715520 GRPLPTAXIHLQIC-GOSISDBHSA-N 493.347 5.281 30 20 JKED C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 731278225 NMPNJECWXSGUPR-PJKLNKOBSA-N 482.650 5.112 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1 731307250 GOKYXFAHKXMXFC-QHCPKHFHSA-N 481.618 5.010 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1cccc(O)c1 731310774 PODQZOIPBSVQJY-QHCPKHFHSA-N 488.544 5.173 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(C3CCN(C4CC4)CC3)C2=O)cc1 743524080 GEOCIIRQWCGFMU-DEOSSOPVSA-N 494.636 5.030 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(CC(F)(F)F)C1=O 743525175 ORUCOUISKSUKCY-IBGZPJMESA-N 497.514 5.446 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 746697986 RGDVTDCYBROELX-HSZRJFAPSA-N 485.625 5.528 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCCOC2CCCC2)C1=O)Nc1ccccc1 747044291 RLDNNOVSVAHHLR-JOCHJYFZSA-N 487.572 5.274 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747111787 GLVUMXSFITUMLD-KRWDZBQOSA-N 468.365 6.041 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cscn3)C2=O)cc1 747599175 GUYPGWPGSLAAFM-IBGZPJMESA-N 471.007 5.265 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 750691865 UVGRJWJETRHYME-RPWUZVMVSA-N 490.401 6.482 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC(F)F)cc1 799219607 VCCUCESIYMSLGQ-HNNXBMFYSA-N 488.343 5.575 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CC(F)(F)F 799224063 YSLYJKCHURIVLL-LJQANCHMSA-N 463.525 5.388 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)c(C)c2)cn1 837300498 WQADMPJPNJQYOY-JOCHJYFZSA-N 492.576 5.007 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccccn2)c1 837393203 KKTPONORMNQVQG-NRFANRHFSA-N 482.968 5.343 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 837399173 SJCXEZDUVJRTTM-YKSBVNFPSA-N 472.614 5.728 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1C 837412269 AECXKLIQHKQGSV-UZUQRXQVSA-N 494.567 5.698 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3cccnc3)C2=O)c1 837738465 UFXULZUKONOMEW-JPYJTQIMSA-N 493.032 6.073 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837918117 YFOIPVGOWMZTPM-SBUREZEXSA-N 476.577 5.505 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 855748577 FXLUTIJCHMLEQA-GOSISDBHSA-N 495.604 5.745 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc(C)c(C)c2C#N)c1 893307868 ORUGKICDCDHMCV-UHFFFAOYSA-N 474.007 5.358 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(NC(C)=O)c3)N(CC(C)C)C2=O)cc1 913118829 DJFPBSDXDSDAGO-QHCPKHFHSA-N 496.633 5.050 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 914543168 MCEWSEDZAMGHIU-CPJSRVTESA-N 486.641 5.604 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c(C)nc4nc(C(F)(F)F)nn4c3C)n2)cc1 915099855 DEXMKHLNONHIRQ-QGZVFWFLSA-N 484.507 5.001 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101217 DIVLKKLYPZDBMW-FPOVZHCZSA-N 479.989 5.343 30 20 JKED CC(=NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1sc(C(C)(C)C)nc1C 915111391 HSTPRKNNEAUZGT-UHFFFAOYSA-N 455.628 5.110 30 20 JKED O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1N=Cc1sc(Oc2ccccc2)nc1Cl 915956232 PZPRKKCVRZFRGC-UHFFFAOYSA-N 488.956 5.418 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3ncccc3c2)c1 916074971 FFQSGIJNYRSVKZ-UHFFFAOYSA-N 477.973 5.522 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(C[C@H]3CCCO3)C2=O)cc1 916206672 RJBJYEKQFHOXRH-RPWUZVMVSA-N 493.629 5.152 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccccn3)C2=O)cc1 916207618 HJBCGDQCGOIAEP-XMMPIXPASA-N 486.597 5.062 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(F)(F)F)c1 916217340 LDOUKFLMWQAQRX-GOSISDBHSA-N 465.497 5.084 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(SC(F)F)cc1 916885776 BLALFKHEUPESBP-FQEVSTJZSA-N 452.482 5.465 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1[C@H](C)c1ccccc1 916907088 HLIVMPKQQICVQI-QFQXNSOFSA-N 477.564 6.468 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 916916446 SXPNOBQIACAOBE-HXUWFJFHSA-N 459.502 5.284 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995033 ARAXCJZBFXLFHJ-IUODEOHRSA-N 474.344 5.485 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 917426586 KQKLKFBNJVJRSU-YVEFUNNKSA-N 459.493 6.098 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=Nn2c(S)nnc2-c2ccccc2Cl)cs1 917539221 YFSCFTXARDFLQN-UHFFFAOYSA-N 489.413 5.564 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2ccsc2)C1=O 917670968 FUDZNTPJOJRQFA-QFIPXVFZSA-N 479.627 5.534 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 917701979 SGKAHRDEYLAIGZ-CJAUYULYSA-N 498.583 6.095 30 20 JKED N#Cc1c(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)sc2c1-c1ccccc1CC2 917774378 LAGUOHVZFLVDRY-UHFFFAOYSA-N 490.635 5.266 30 20 JKED C[C@H](NC(=O)c1ccccc1NC(=O)CNc1ccccc1Oc1ncccc1C#N)c1ccccc1 917813016 QYFICPLTDDLCCF-FQEVSTJZSA-N 491.551 5.287 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc3ccccc23)no1 920352541 OJMLFQNPXISPRO-QHCPKHFHSA-N 488.544 5.436 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3cc(C)on3)C2=O)cc1 920356124 OACNFGGJBOEAJG-FQEVSTJZSA-N 468.966 5.105 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3cc(C)on3)C2=O)c1 920358833 CBGCVOZLFHMGLW-XMMPIXPASA-N 488.613 5.249 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]2Cc2ccc(Br)cc2)c1=S 920757789 IBVCHAMSSNQFLD-FQEVSTJZSA-N 470.440 5.089 30 20 JKED O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCc2c(ncn2-c2ccccc2)C1 929075068 KFZXYIVUMNHOBA-UHFFFAOYSA-N 471.376 5.360 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 1520416694 WHXQFHOTOQLWDF-HXUWFJFHSA-N 451.876 5.148 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3ncc(C(F)(F)F)cc3Cl)CCC2)cc1 1785933447 HPGKNFUDHGFUQG-UHFFFAOYSA-N 464.875 5.051 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](c3ccccc3Cl)N(C)C)CCC2)cc1 1786367292 IVQXENXTPDGFJW-VWLOTQADSA-N 484.040 5.060 30 20 JKED COc1ccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)cc1 1788379460 LQHUMWQUJVBAJV-UHFFFAOYSA-N 491.551 5.018 30 20 JKED Cc1noc(C)c1CCC(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789507447 BQKAIISTAUSKKU-UHFFFAOYSA-N 479.697 5.409 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CCC1 1789771322 UIPJFDRXQVNRSC-FQEVSTJZSA-N 455.605 5.105 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5sccc5Cl)cc4)CCC3)c2c1 1789902851 FANUMPHMABEXGC-UHFFFAOYSA-N 475.961 5.211 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)CCC1 1790328515 XLXKFQFMVCXLNI-QFIPXVFZSA-N 499.558 5.182 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5c(C)cccc5[nH]4)CCC3)cc2)c(C#N)c1 1790473013 IACNKTMRLRKQKU-UHFFFAOYSA-N 492.579 5.347 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)c[nH]4)CCC3)cc2)ccc1F 1790520915 QFJNSESGOHTUQD-UHFFFAOYSA-N 484.453 5.035 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4NC(=O)OC(C)(C)C)cc3)CCC2)C1 1790547602 DBCMJNDZPKDGDJ-RJADORODSA-N 493.648 5.026 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cc4ccc(F)cc4)cc3)cc2)CCC1 1790598154 YTIDYJOMAGHNGA-UHFFFAOYSA-N 455.533 5.468 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3Cl)CCC2)cc1 1791299211 YJTZFHBHXOOVEC-UHFFFAOYSA-N 464.944 5.251 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)C(=O)CC5)CCC3)cc2)c1 1792126631 IBJNRBREMAWQDE-LJQANCHMSA-N 477.564 5.504 30 20 JKED CC(=O)Nc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1792133082 YHZFOFINLFEBNM-LJQANCHMSA-N 480.568 5.334 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)CC3CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792206633 KZBKKYBUAAPOKM-JOCHJYFZSA-N 469.626 5.170 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1792572712 DFKAOQYGHCTHHN-BKFWDETESA-N 469.629 5.851 30 20 JKED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1793585664 RLVFQMUWFRSVSR-MVWVFHAYSA-N 492.582 5.596 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1ccc(F)c(F)c1 1796503589 CELJNBVWJMVZEV-ACDBMABISA-N 467.560 5.271 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(C)c1F 1797270393 DFQZBPUJSAHHQG-BJWYYQGGSA-N 465.407 5.141 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc3cc(Br)ccc3c2)cc1 1797983450 MOFDKPCHAACPER-BKFWDETESA-N 488.385 5.040 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)c(-c3c(F)cccc3F)n1)C2 1798333015 ONNROKCTNKMFRU-RDGPPVDQSA-N 483.534 5.186 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1Cl)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C(F)(F)F)CC1)C2 1799227062 XLPLCBIECIIGSD-JGPRNRPPSA-N 486.815 5.092 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1802496111 KAXZNGBWFXPLHI-IXCJQBJRSA-N 469.629 5.476 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1802496311 ICTXAORNJIZRNT-AVRDEDQJSA-N 467.660 5.670 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1802504576 ZHVDOEGHYCIKPB-ZCYQVOJMSA-N 486.616 5.357 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1802718150 LRCNRVSQEGEVBV-GGAORHGYSA-N 454.014 5.355 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC4(CCCN(C(=O)CCc5ccc(C#N)cc5)C4)CC3)c[nH]2)cc1 1804755833 HUWKPTRYSAINAH-UHFFFAOYSA-N 494.639 5.339 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1)c1ccsc1 1805423535 XXCFFTQDVBXLTE-IAPPQJPRSA-N 491.616 5.176 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(N(C)C)c4ccccc34)CC2)C1 1805456947 OLHYSDXHAYXCMN-UHFFFAOYSA-N 473.661 5.519 30 20 JKED N#CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1806284383 QORWMSWDAUKCMF-PXDATVDWSA-N 498.549 5.381 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c(Cl)c1 1807968339 MEPFTARSROPRKZ-PGRDOPGGSA-N 490.972 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)/C=C/C3CCCCC3)[C@@H]2c2cccnc2)c1 1808544232 RJYPMQOLFAXWBS-XYLFZYAMSA-N 470.617 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1809846869 HUCHTYLPRFJDLV-CYFREDJKSA-N 479.621 5.747 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3cccc(OC)c3)C2)CC1 1810347028 RIWUIEASCFZEGO-RUZDIDTESA-N 487.644 5.370 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1810504231 XVOCRDQTJDASNY-GCJKJVERSA-N 491.529 5.552 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1812699430 XYYLOWPBALYVQH-NSXLHWASSA-N 467.013 5.143 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1813230353 HZLKHGRBPFZKAL-UZUQRXQVSA-N 492.834 5.555 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)cc2c1 1813866187 MUVSFXMFHMVDSQ-GDRRSRKRSA-N 491.595 5.132 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)cc1 1814378265 KLPOVANTTSJENP-DEOSSOPVSA-N 490.007 5.192 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)[nH]n2)C1 1814394247 LDTVFDMPROGGQU-JOCHJYFZSA-N 491.979 5.523 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)[nH]n1 1819384615 UKJLJYNWHNNZSA-UYAOXDASSA-N 478.660 5.278 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)[nH]c12 1819385334 RLTFFEDHVCFEPF-HSZRJFAPSA-N 489.696 5.556 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc(C)oc2C(F)(F)F)[nH]n1 1819554181 JLDBDZLROJQNQY-OAHLLOKOSA-N 467.492 5.023 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820229671 VEYJHMGOYROYGX-PXNSSMCTSA-N 460.987 5.070 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccccc3c(Cl)c2OC)n[nH]1 1820236038 UPCCUSJRQKLORN-KKSFZXQISA-N 496.995 5.122 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237593 PNNIHWIPSKCJON-VWLOTQADSA-N 490.579 5.505 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]n2)cc1 1820547204 NQFFBNHPNHGFBR-DEOSSOPVSA-N 467.573 5.099 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccccc3Br)CC2)n[nH]1 1820946433 KVIZSISCMHNODF-OXQOHEQNSA-N 485.426 5.108 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 1820973108 CGFYWMNKSGXUAH-ACJLOTCBSA-N 499.921 5.189 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821048437 DDKZKTBQXMXNTF-QFIPXVFZSA-N 480.515 5.719 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)cc1 1821179442 DZZQCJDIFXVSEI-OAQYLSRUSA-N 481.478 5.114 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)[nH]n1 1822403599 JJJAIOQDOXJCHO-KRWDZBQOSA-N 490.789 5.189 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3OC(F)F)[nH]n2)c1 1823216396 TWYWWUDSXINTQL-IIBYNOLFSA-N 493.514 5.258 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823217041 GNULVBICBPARCU-FDDCHVKYSA-N 471.561 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(Cl)c2)n[nH]1 1823241586 GOPDNEVRDUJLDF-FQEVSTJZSA-N 456.974 5.146 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C#N)CCC2)n[nH]1)c1ccc(Cl)cc1 1823380526 FCWSYOPLCLAQCA-RBBKRZOGSA-N 468.001 5.189 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCOc3ccc(F)cc3)CC2)c1 1823971550 JEIYQXXLUZZRBZ-JIPXPUAJSA-N 491.607 5.155 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1824240468 AUVNYABDUHAKHK-RRPNLBNLSA-N 457.618 5.231 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)[nH]c2c(Cl)cccc12 1824540074 SUDFCMLVDKJALS-NZQKXSOJSA-N 476.086 5.317 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1)C(F)(F)F 1828295857 YEKCRVSYZBVITQ-FQEVSTJZSA-N 467.919 5.173 30 20 JKED C=CC[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(CC)CCC2)CC1)NC(=O)OC(C)(C)C 1828479025 RQYMUGJCXWYVLR-PKTZIBPZSA-N 489.701 5.046 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829570195 IZTZQGPVEADIER-ZJSXRUAMSA-N 489.616 5.048 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622853 YMZVCAGBSYCEBW-VWLOTQADSA-N 455.602 5.416 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830013034 ODVWVECBVTXIJY-NDEPHWFRSA-N 492.623 5.476 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)cc3F)CC2)c(Cl)c1 1830093359 TWNIFHVSGCZHQX-QHCPKHFHSA-N 471.935 5.037 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830275355 YETXVPXNSCIWAW-ZJSXRUAMSA-N 468.041 5.437 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1830408972 DCEHXIANVLFQBA-XMQADNEMSA-N 463.622 5.022 30 20 JKED C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830633050 BYEXMEPRLZRXHJ-AMGIVPHBSA-N 457.618 5.180 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)cc1 1830633815 YXHRECXNCZSDIG-MRAVXTPNSA-N 481.640 5.108 30 20 JKED Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1F 1830720753 GNVSYWUFOWLGNF-QHCPKHFHSA-N 467.972 5.206 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1)C(F)(F)F 1831451952 QCUBKYAORQLSNS-LJQANCHMSA-N 454.533 5.237 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)S)CC1)c1ccc(Cl)cc1 1831844616 LBEJEZULUMLZHZ-BULFRSBZSA-N 451.076 5.018 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1831845004 NNSGWGZCZZMKSM-IERDGZPVSA-N 489.479 5.154 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 1831860634 FZTVZCCRNHWJID-GDLZYMKVSA-N 499.655 5.485 30 20 JKED Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832629144 KPUSWTVZDAUJFW-FIPFOOKPSA-N 471.645 5.488 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccoc4s3)CC2)c1 1832631992 ZGADNBYKXPGDIA-JPYJTQIMSA-N 475.614 5.668 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)CC1 1832666126 SXKSZWFVUZBPCG-IRLDBZIGSA-N 459.030 5.350 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)CC1 1832668976 LQQMFYWGEMGYMC-NZQKXSOJSA-N 459.030 5.350 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1832729238 RKTOULOPIFEUFW-AOYPEHQESA-N 482.640 5.616 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1832827762 ARNWGIPGVBTDCP-SANMLTNESA-N 464.556 5.279 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1832828233 VAJCKMVUXVCIBF-HXUWFJFHSA-N 454.920 5.006 30 20 JKED CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1)c1ccccc1 1837632271 AKRRUZQRABRQQR-DWACAAAGSA-N 487.644 5.120 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3ccc(O)cc3Cl)CC2)CC1 1838424611 PHOSYRFROJPVAF-SOFGYWHQSA-N 489.056 5.050 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=S)N[C@H]1c1cccc(C#N)c1 10361492 HKMXQKGXSFIOFN-SANMLTNESA-N 482.609 5.532 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)=C(/S)Nc1cccc(Cl)c1C 11258497 QRIKTDWHIPNRTP-UHFFFAOYSA-O 485.029 5.281 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccc(C(C)(C)C)cc2)c1 14871987 LAEYOOKDIOXFAG-UHFFFAOYSA-O 486.488 7.192 30 20 JKED CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 26195378 SICIAPIGOTYYSP-SFHVURJKSA-N 450.564 5.180 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(Cc3cccs3)n2-c2ccccc2)cc1 26979619 SSCRLZQRGIMWEA-FQEVSTJZSA-N 487.654 5.656 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(OC)cc2)C2CC2)nnc1-c1ccc(Cl)cc1 29829627 GRWAATKIHOIZRG-UHFFFAOYSA-N 469.010 5.076 30 20 JKED COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 32058866 YXHYNYWONNRMMW-UHFFFAOYSA-N 470.447 5.434 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(/C=C/c3ccccc3)[nH]2)n(Cc2ccccc2)c1C 105577416 YUDQWSRZAJUOPL-BUHFOSPRSA-N 468.586 5.044 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCN(c4ccccc4Br)C3=O)cc2)cc1 303042631 QEWXCZRLRVVXLI-HXUWFJFHSA-N 476.330 5.105 30 20 JKED CN(C)CCOc1ccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 410402597 UHLHMUUQMFFLFY-XMMPIXPASA-N 462.981 5.258 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)c3cc(C4CC4)nc(SC)c3C#N)ccn2)cc1 490428514 DDCHGGSITRXJNY-UHFFFAOYSA-N 460.559 5.069 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 490626184 HWTWDJOKQUDROM-UHFFFAOYSA-N 484.581 5.257 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCCc3occc32)nnc1-c1ccc(Cl)cc1Cl 493307578 WTHUPJGVHJTAHZ-KRWDZBQOSA-N 463.390 5.317 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2CN2CCCC2=O)cc1Cl 500599306 STHJQIRWBZVTNQ-DEOSSOPVSA-N 472.976 5.440 30 20 JKED Cc1nc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)sc1SCC#N 504801959 PSWJWLDLMYGLNV-UHFFFAOYSA-N 453.574 5.148 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 506189557 LIDJRDUCRMOAEY-QHCPKHFHSA-N 487.947 5.081 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CCC2 509711914 GOLYGTHGIMKJFA-QTKYHAHDSA-N 469.585 5.751 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)c2)cc1 509885128 KLBANROJQKWJQJ-UHFFFAOYSA-N 477.511 5.685 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1Cl 510024490 TXAFJBJOCDPRHR-NZQKXSOJSA-N 466.006 6.270 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(COc4ccccc4)CC3)s2)cc1 510601903 VQANRQYELXWSRD-UHFFFAOYSA-N 465.604 5.025 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510887114 LRZHBWMPCUDURC-RUZDIDTESA-N 471.557 5.881 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 511337117 DTZKLEHNZHWSSM-XMMPIXPASA-N 468.557 5.046 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccc(C(F)(F)F)cn1 513191422 MKIKWULNTFEWNK-OAHLLOKOSA-N 457.412 5.039 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1 513862671 YHMGFTBOAJJEKB-UHFFFAOYSA-N 488.588 5.121 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccc(OCc2ccccn2)cc1 515613208 VEKFPFJPFFVYPH-UHFFFAOYSA-N 451.551 5.613 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 515637527 WZTYRKAIJPDCEU-UHFFFAOYSA-N 456.571 5.538 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C 518155678 YXJSDECSCYYNHC-QRWLVFNGSA-N 477.552 5.799 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C2CC2)ccc1O 518723908 USQMNAWAJKILQD-UHFFFAOYSA-N 477.948 5.701 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1 518793447 YVQPKEOMHUVISZ-UHFFFAOYSA-N 483.637 5.204 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 519485283 QIMFTFUIGICEHS-OAQYLSRUSA-N 488.396 5.203 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 520829912 YLQPMSKHSYNLFE-SFHVURJKSA-N 459.637 5.001 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCCOc1ccc(I)cc1 521726157 NBVGFWSZKJDPQX-HNNXBMFYSA-N 480.371 5.341 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 522422193 UUHSTCTXVJUBLZ-OAQYLSRUSA-N 497.599 5.798 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 522487533 AINNJYQLTOVHQN-HXUWFJFHSA-N 493.972 5.304 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc(O)c2c3c(sc2n1)CCCC3 522497845 MNLBXERSFLSDFM-NSHDSACASA-N 468.510 5.167 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)cc1 523169632 FBMKZKQPDNBHDF-NMNUPHIUSA-N 480.996 5.060 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 524283422 GAZBIQCSBTWKRQ-UHFFFAOYSA-N 479.964 5.100 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)cc2Cl)c1 524407832 MILYBYZKGNPDIS-UHFFFAOYSA-N 463.946 5.477 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2Cl)c1 556502844 LAAXGKMWKLTJMZ-NRFANRHFSA-N 488.975 5.673 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1 569596229 AQLPMVWPPVXOHC-UHFFFAOYSA-N 495.457 5.122 30 20 JKED CC(C)(NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 589758448 KUMSNBQMSUPCMI-CHWSQXEVSA-N 464.372 6.149 30 20 JKED O=C([C@H](Oc1ccc(F)c(F)c1)c1ccccc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 593039749 MGBGLSILFLWYLK-SUNYJGFJSA-N 467.356 5.674 30 20 JKED Cc1cc(=O)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nn1-c1ccccc1F 603765911 DABOPIUSXRYQRU-FQEVSTJZSA-N 472.907 5.241 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc(OC)c1OC 609008294 XMWBTYBIMQBUAM-LBPRGKRZSA-N 485.776 5.882 30 20 JKED Cc1c(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1-c1cccc(Cl)c1 609028076 NJKDXTSKTXUHOZ-RUZDIDTESA-N 456.933 5.408 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSCc1coc(-c2ccccc2)n1 609061054 QIKXBTPBVOLCNX-UHFFFAOYSA-N 469.566 5.973 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 609079702 IWGSHNDBECMHCX-UHFFFAOYSA-N 486.547 5.467 30 20 JKED COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 609123722 LTIKDTCXJNKHMG-QHCPKHFHSA-N 459.521 5.524 30 20 JKED CCOc1ccc([C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2ccccc2)cc1 609212492 QWKSKYPEPYVCRY-MHZLTWQESA-N 455.558 5.299 30 20 JKED Cc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 609403282 JJOXLXMRHKDPCL-IBGZPJMESA-N 461.509 5.322 30 20 JKED C[C@H](CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1c(Cl)cccc1Cl 609439408 NOPZAGJIDTXNKA-ZIAGYGMSSA-N 450.391 5.246 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 612146772 HRJLLEMTWXYMMZ-UHFFFAOYSA-N 453.010 5.092 30 20 JKED C[C@@H](Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C)C(=O)Nc1cccc(C#N)c1 612646224 YWZHMLKNFWXEJT-CYBMUJFWSA-N 481.002 5.306 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc1 613317993 CMDXMKLOBMPQJH-QFIPXVFZSA-N 452.539 6.253 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 613405325 YGDYOPMSSNIDGC-QGZVFWFLSA-N 491.498 6.062 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(F)cc2)c1 614929725 SQQHEAYYGVJNQC-UHFFFAOYSA-N 458.942 5.137 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539057 GKUXOHVHXFFAGQ-CHWSQXEVSA-N 493.370 5.137 30 20 JKED O=C(NCCCc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620148070 XJGXCFCOJMBXQO-ZIAGYGMSSA-N 464.372 5.847 30 20 JKED O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 642784357 YXOMVUFASVALGI-UHFFFAOYSA-N 498.345 5.341 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1[C@@H]1COc2ccccc2O1 645077569 JVFZTCBWPZYZHJ-UGSOOPFHSA-N 491.400 5.403 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1SC 645079450 JRTKAINXDRUGGP-HNNXBMFYSA-N 475.039 5.538 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cc(O)ccc2C)c(C)c(C)c1C 726571295 RBESGDZDOBXLKM-UHFFFAOYSA-O 479.025 6.070 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c(F)cccc1F 727627528 HDNGCZSFWGFPAG-CXNCTMLVSA-N 483.584 5.333 30 20 JKED CCOC(=O)C1C/C(=C/c2ccc(-n3cccn3)cc2)C(=O)/C(=C/c2ccc(-n3cccn3)cc2)C1 727973873 AXKPEUUYSRTGST-QFFDILLMSA-N 478.552 5.067 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3ccccn3)C2=O)cc1 728425129 KPTBZNNFYKRXBL-RUZDIDTESA-N 491.576 5.267 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 728738843 UDNPJBUBBOVIIX-RRPNLBNLSA-N 483.612 6.378 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 728739644 GGJNUQBINHNXGI-NRFANRHFSA-N 478.593 5.770 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cc(C)ccc2C)cc1 729669503 ZLYQQQQEFLBTDT-UHFFFAOYSA-O 479.622 5.925 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 729888765 OAMIOMLRRKCFSQ-YLJYHZDGSA-N 473.932 5.173 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCC3)C2=O)c1 730459536 KQFCBVLERFNMRY-FQEVSTJZSA-N 473.545 5.418 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2C2CCC2)c1 730459937 PMKNHIRXARDZNJ-LJQANCHMSA-N 461.946 5.001 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cccc(Cl)c1 730509724 LYFCATLSRHMBJZ-QGZVFWFLSA-N 499.992 5.261 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1ccccn1 730524757 ZAJNMICDLXNGFC-QHCPKHFHSA-N 494.567 5.125 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 731078168 MMCATFOYHJZOAD-HNNXBMFYSA-N 469.950 5.114 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)cc2)cc1 731305596 NHMAGAQWAHARHK-QHCPKHFHSA-N 493.560 5.091 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731310650 MMGCBRNMPFGUNC-YJYMSZOUSA-N 496.416 5.084 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCSc2ccccc2)C1=O)Nc1cccc(O)c1 731310859 ROXMUIQRRCGMCC-JOCHJYFZSA-N 495.601 5.284 30 20 JKED CC(C)Oc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2C2CCCC2)cc1 731312326 NKKDWZSWKBCXCD-JOCHJYFZSA-N 467.591 5.082 30 20 JKED N#Cc1ccccc1COc1cccc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)c1 731372197 RXHOQVIWNXADDO-QRVIBDJDSA-N 453.548 5.415 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN2CCC(C#N)CC2)c1=S 747079111 USXKVKNTKFIVKO-ZIBCJSCZSA-N 469.630 5.322 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cc(C)ccc2C)n1 748037221 YUEHZPOGEKAMMA-QFIPXVFZSA-N 492.576 5.007 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)cc1 799220076 FMIZRKBFADNWGV-QGZVFWFLSA-N 485.915 5.180 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)c(C)c2)C1=O 812369552 PJARBKRAZUROEG-QHCPKHFHSA-N 477.561 5.303 30 20 JKED COc1ccc(-c2nc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)nc(O)c2C#N)cc1 824935965 PYQKTWZCCWNUDN-QHCPKHFHSA-N 486.528 5.341 30 20 JKED C=CCn1c(S)nc2cc(C(=O)Nc3cc4oc5ccccc5c4cc3OC)ccc2c1=O 825331049 RGHHNYRVOMTFJP-UHFFFAOYSA-N 457.511 5.032 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@@H](C)c2ccccn2)C1=O 837300274 BSVGHZSXVOZLQO-AOMKIAJQSA-N 496.995 5.904 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccc(-n3cccn3)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 912801265 GQKUOFGDKUIJCC-QFIPXVFZSA-N 481.478 5.056 30 20 JKED COc1ccc([C@H]2[C@@H](C(=O)N(C)Cc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC 914449746 IUVJTHAVSPAQHW-SVEHJYQDSA-N 497.595 5.027 30 20 JKED CCN(C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 914509216 GQZGDHZELIBCAR-CPPNXCSESA-N 459.546 5.374 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 914543612 PRECPKPZHJJESK-NLFFAJNJSA-N 486.641 5.604 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 914984034 OLPQKONJXLXSHV-UHFFFAOYSA-N 452.466 5.193 30 20 JKED COc1cc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 915103548 XOZXJMSUFRHGOG-OAHLLOKOSA-N 477.369 5.562 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)[C@@H]1c1ccccc1OC 915104162 MIOSSNBWWLRHJA-GLDPYIMESA-N 494.542 5.396 30 20 JKED C=CCn1c(SCC[S@@](=O)c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 915992158 QGIDHKQXZCVZAD-SSEXGKCCSA-N 452.626 5.211 30 20 JKED COCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1OC 915992843 CLFNUBMCKPUZLK-VURMDHGXSA-N 488.512 5.036 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(C2CCCC2)C1=O 916217276 JLSZEJZFBXNBTA-JOCHJYFZSA-N 451.592 5.215 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)c1)c1ccccc1Cl 916344957 RMRUWDWMTSQIBS-UHFFFAOYSA-N 468.369 5.675 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 916622985 VBIOXIRFLOFJDK-OAQYLSRUSA-N 458.974 5.615 30 20 JKED CCCCCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916846774 DYDKNSHDQAQZSG-FQEVSTJZSA-N 475.614 5.848 30 20 JKED Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 916897436 ZCFOYCUHNLMODM-LJQANCHMSA-N 462.893 5.130 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(COc2ccccc2)cc1 916904357 BAGFZNRPDUUPRU-RUZDIDTESA-N 462.505 6.019 30 20 JKED N#C[C@@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1ccc(F)c(Cl)c1 916937167 CGPANBHEUCRYPR-HNNXBMFYSA-N 496.976 5.590 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 916953950 FOGBPGMHCXYVEN-ATANMQQVSA-N 466.537 5.615 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996078 JXDCCRLCSZAFEB-HUUCEWRRSA-N 460.317 5.558 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccccc1F 917662438 AQNOYPLEWVZVGN-GAJHUEQPSA-N 491.592 5.008 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccccc2F)n1 917664427 OMEGWKCXYCUNQL-QFIPXVFZSA-N 496.995 5.651 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccsc2)c1 917666826 MLXWTZICEVWPAF-FQEVSTJZSA-N 487.553 5.195 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3cccc(C)n3)C2=O)c1 917681380 POJVLWHKIIHHQU-QFIPXVFZSA-N 495.004 5.213 30 20 JKED CC(C)(C#N)C(=O)OCC(=O)Nc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)s1 919352313 CLLPHQVPMWMEJJ-UHFFFAOYSA-N 474.369 5.815 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nc(-c2ccc(Cl)cc2)cs1 920110965 PIDXTHOJCCMQMH-CQSZACIVSA-N 476.435 6.721 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4cccc(Br)c4)CC3)n2)cc1 920139238 PFVZLDAAPVIMDB-SFHVURJKSA-N 453.361 5.489 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2c(C)noc2C)c(C)c1 920353554 MOSLJNKBTBOPBK-QFIPXVFZSA-N 480.565 5.208 30 20 JKED CCc1cccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cc(O)ccc2C)c1 920484347 FXKCALLVDGYTQR-UHFFFAOYSA-O 490.649 5.670 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2ccc3[nH]c(C)c(C)c3c2)C1=O 920826858 UIDJATBLISJODB-NRFANRHFSA-N 469.010 5.014 30 20 JKED COc1ccc([C@@H](CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c2c[nH]c3ccccc23)cc1 921236964 UCROMEKJOMPILS-HSZRJFAPSA-N 464.525 5.302 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)c1 921254558 QBGQHGCNFKSQEZ-XLIONFOSSA-N 493.551 5.231 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cccc(OCc3csc(C)n3)c2)c1 927612387 ALZLVZSEFHDCKG-LJQANCHMSA-N 477.586 5.140 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12 928975354 NKCQRJXNOWHDHD-IBGZPJMESA-N 498.539 5.007 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3cccc(F)c3s1)C2 1779510749 ZITAJLZPCNTBAR-QFQXNSOFSA-N 472.626 5.160 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[S@@](=O)C(c3ccccc3)c3ccccc3)cc2)CCC1 1786155558 CSCYOPCZJTWRIG-PGUFJCEWSA-N 486.637 5.235 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)CCC1 1786289155 GXXMRFPBEVMWJB-MOPGFXCFSA-N 453.608 5.102 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4coc(Cl)n4)cc3)CCC2)cc1C#N 1787110235 HLBHSTRMTISEND-UHFFFAOYSA-N 478.936 5.048 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc(F)cc(F)c4)[nH]n3)cc2)CCC1 1787155247 RGAQIUCTJBBEOA-UHFFFAOYSA-N 482.556 5.022 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnoc4C4CC4)cc3)CCC2)c1 1787598512 YKYAYQXCCWQTRF-KRWDZBQOSA-N 454.530 5.241 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)CCC1 1787750792 ZCVODVIFKZEARW-UHFFFAOYSA-N 474.523 5.365 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)F)no4)cc3)CCC2)c1 1788310614 ZRYVHYSLOFQLOJ-HNNXBMFYSA-N 464.472 5.301 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)sc1C 1788358882 KETBEXXMJVHHJX-UHFFFAOYSA-N 499.518 5.107 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)cc3)CCC2)C1 1788368003 MUUFRBPZDYEHHX-UHFFFAOYSA-N 461.949 5.709 30 20 JKED Cn1ncc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5Cl)CCC4)cc3)ccc21 1789086181 FXOHIDOZSQUWEX-UHFFFAOYSA-N 483.959 5.160 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3C(=O)OC(C)C)CCC2)cc1 1789453217 OTTRFNCPKYIBJD-QFIPXVFZSA-N 475.589 5.163 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)on1 1790160822 GDRWCDUVCAIVFM-UHFFFAOYSA-N 456.546 5.050 30 20 JKED Cn1c(CC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)cc2ccccc21 1790256453 LVRVCYNZNLUXFC-UHFFFAOYSA-N 462.553 5.040 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cccc(Br)c3F)cc2)CCC1 1790627031 TYRZPXJRRHROQZ-MZJWZYIUSA-N 498.352 5.048 30 20 JKED CN(Cc1ccccc1)c1c(F)cc(C(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)cc1F 1790810641 IAASOSAJKHQIIQ-UHFFFAOYSA-N 488.538 5.263 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cn4c(C(F)(F)F)cccc4n3)CCC2)cc1 1791254539 SCRVQSXFVSJIMX-INIZCTEOSA-N 470.495 5.313 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CCC2)cc1 1791302343 HMNHVFILJNXTFT-IBGZPJMESA-N 479.568 5.025 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@H]4c4ccc(Br)cc4)cc3)CCC2)CCC1 1791479914 AHDGRVPVGRGPFI-VXKWHMMOSA-N 492.417 5.381 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@H](C)C#N)c5)cc4)CCC3)c2n1 1792124896 NVODJQCQNVQEII-GOSISDBHSA-N 493.567 5.260 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)n4cccc4)CCC3)cc2)cc1C#N 1792168650 CRWGCPWPWMPHBP-FQEVSTJZSA-N 470.573 5.156 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCC4CCN(C(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1792221205 JWKUOGNVIMPJOI-UHFFFAOYSA-N 495.664 5.514 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(F)CCCCC1(F)F)c1cc(F)ccc1C(F)(F)F 1797806522 DJBBALQYQOHYAE-YYQBIWNASA-N 480.424 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn(C(C)C)cc1C(F)(F)F)C2 1798333618 LRPGLZWOTQTELU-FCGDIQPGSA-N 451.533 5.108 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Br)cccc3c1)C2 1798334971 QGCFYFWEAOYKHG-LRSLUSHPSA-N 481.434 5.623 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)cc1 1800279928 LOSNXFOWMALOHN-HVWQDESWSA-N 485.534 5.322 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCc2ccc(C(F)(F)F)cc2)C3)c1 1803677221 CRLOXTPMGGXMSN-FUJBWUKOSA-N 497.561 5.607 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1804176296 MKMFZUIAHGTMBG-IBVKSMDESA-N 485.609 5.220 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1 1808381465 NPDHKDDNDXZVKO-UHFFFAOYSA-N 482.024 5.569 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@@H]1c1cccnc1 1810179017 VXLGYNCUHNSCSG-JXHRLWIKSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1810492470 OIFMOTFJVYAQRU-BVAGGSTKSA-N 465.613 5.242 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810504847 IBKWSVXBKFOTJC-UNMCSNQZSA-N 473.539 5.412 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)[C@H]1c1cccnc1 1812592657 YFMPXLBEOMJOEI-HQQGYVGFSA-N 492.623 5.533 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1813767482 CQMDEFYBKMBNOT-OXQOHEQNSA-N 482.358 5.228 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)CCCc3ccccc3F)[C@H]2c2cccnc2)c1 1813863138 GNCZODBXGPEZPR-LVWCUCSXSA-N 498.602 5.190 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814381203 LIIXGJRXZDCHKG-CJFMBICVSA-N 469.589 5.018 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)C(C)(C)C#N)n[nH]3)ccc21 1814569328 LEFXEIQMXRIAEQ-DEOSSOPVSA-N 482.588 5.393 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c1 1814583554 NEQVHKRWAPSESM-OYHNWAKOSA-N 479.943 5.449 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C23CC(C(F)(F)F)(C2)C3)n[nH]1 1815345693 VHWUKRUBFWPYLU-NWLLBJEDSA-N 494.634 5.186 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)n[nH]1 1818433704 KSIAQUBPKQNXKL-FQEVSTJZSA-N 492.967 5.106 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1 1818441435 QAIHUGYLDUREQA-VWLOTQADSA-N 465.557 5.507 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n[nH]1 1818593523 VJYWCCCARGIAGO-OAQYLSRUSA-N 451.958 5.044 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)[nH]3)n[nH]2)c1 1819636452 ADONNKDAMLZLHB-IFXJQAMLSA-N 484.482 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)[nH]n2)n[nH]1 1820274862 MHGLXVXDFCNEDF-JOCHJYFZSA-N 460.582 5.098 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1F 1820496775 CLKRXVQORWLMTG-HXUWFJFHSA-N 465.916 5.002 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)cc1 1820549049 FPOYKOYXCCQNIT-QGZVFWFLSA-N 461.572 5.177 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)[nH]n2)c1 1821272350 CGRPDKTVJWITST-RUZDIDTESA-N 494.530 5.102 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc4ccc(Cl)cc4c3)n[nH]2)cc1 1821429449 WBAUZGOZSSAMSY-DEOSSOPVSA-N 498.974 5.297 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)[nH]n1 1821921810 UXCCYXZMDJWUHT-UUOWRZLLSA-N 459.594 5.147 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OCc2ccccc2)[nH]n1 1822399932 FMTYXYSVETVVFC-JOCHJYFZSA-N 478.980 5.524 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2C)[nH]n1 1822580023 QKIHZZMZOYEUDH-DEOSSOPVSA-N 469.589 5.280 30 20 JKED O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCC([C@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824407752 ISVMNSDXBORMDY-OAQYLSRUSA-N 497.850 5.059 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@@H]3OCCc4ccccc43)CC2)c1 1824424605 FDHGDVPOYYBMJS-YDTRGFDASA-N 499.655 5.251 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1824500147 DCBGVBFSXDVJFJ-HSZRJFAPSA-N 481.662 5.026 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)cn1 1825817414 QJEBUZRUOQWTIV-PMERELPUSA-N 491.635 5.337 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCCCC3)CC2)ccc1Br 1826282050 BNSFKYIIHHUOKV-HSZRJFAPSA-N 486.454 5.134 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828163346 DONXHMWHUVKAQC-QFIPXVFZSA-N 472.054 5.041 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828745390 SGDWUVGOCQZRNP-FQEVSTJZSA-N 463.956 5.266 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC)cc2)CC1)c1ccccc1 1829032202 GCKJPGRAIXAITA-NSOVKSMOSA-N 471.645 5.159 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)c1 1829956832 UNRROECUCWEUKU-JOCHJYFZSA-N 488.390 5.551 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2)CC1 1830358294 KZBMICAHVZBOOJ-DQEYMECFSA-N 497.680 5.088 30 20 JKED C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1830725010 XFKKVVBAPSUCEZ-FQRUVTKNSA-N 478.036 5.639 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 1830766499 HLMLHPJNHAQAGS-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1830993711 MQVQXIFUCDHWPQ-HSZRJFAPSA-N 472.029 5.037 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)CC2)CCC1 1831806136 GDQWKDUAGSIYPL-QFIPXVFZSA-N 487.566 5.051 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1832027770 AQOAGDPJODUGIJ-RUZDIDTESA-N 464.650 5.217 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cc(O)ccc4n3)CC2)c1 1832631239 BGEXZGNLAZZLFR-WTYVLRPYSA-N 496.611 5.115 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832682944 KPEYWACYYXKULW-MHZLTWQESA-N 489.591 5.033 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C)c2)CC1)NC(=O)OC(C)(C)C 1832753592 DWAGRDGPIBEGKX-DQEYMECFSA-N 497.680 5.088 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)[nH]c2c(Cl)cccc12 1832782830 JHUVYZQCMDRKBA-OAQYLSRUSA-N 467.013 5.057 30 20 JKED C=C(C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)CC1)C(F)(F)F 1838691373 BSYMUWCNMIMWPH-UHFFFAOYSA-N 493.353 5.033 30 20 JKED COc1c(C(=O)N2CC3(CCCN3C(=O)c3cccc(C#N)c3Cl)C2)cc2ccccc2c1Cl 1844735689 VNMBUSJPDWEBGV-UHFFFAOYSA-N 494.378 5.158 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccccc2OC)cc1 10118323 ZTUULUZPIBPNRJ-UHFFFAOYSA-O 473.662 6.426 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc(Cc3ccccc3)cc2)c1 10174691 YDOAXSNSGFPWAT-UHFFFAOYSA-O 479.669 6.795 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 11160311 WPLXIGJBKMKFGG-UHFFFAOYSA-O 496.612 6.141 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccc(C)c(C)c1 11160588 NMFRVTBCXSOJAJ-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CC1CCN(c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2C2CC2)CC1 11424579 WBGOAZDKTYNQLG-INIZCTEOSA-N 484.695 5.171 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2CSC2=NCCS2)n(C2CCCC2)c1C 12801087 BHLBEIQCKGUZPI-UHFFFAOYSA-N 496.658 5.223 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)c4cnn(C)c4C)c3C#N)C(C)(C)C2)o1 13297246 MDZALAMVMWQAIN-VQHVLOKHSA-N 490.585 5.137 30 20 JKED C=CCn1c(SCC(=O)Nc2sccc2C#N)nc2sc(-c3ccccc3)c(C)c2c1=O 17131747 QLEFRFREELGHGK-UHFFFAOYSA-N 478.624 5.283 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc(CC)cc2)c1C 22729864 LOSIDYFYXNTLRY-UHFFFAOYSA-O 478.638 5.326 30 20 JKED O=C(/C(=C(\S)NCc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1 22730631 VTBOGAZIAJZXCJ-UHFFFAOYSA-O 472.033 5.947 30 20 JKED COc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O 23223474 DYNLHYZXCZBITM-HNNXBMFYSA-N 490.972 5.039 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)c1 23532126 HCHABQLHPNJZNB-SFHVURJKSA-N 484.025 5.092 30 20 JKED Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)n2Cc2ccco2)c1 26489733 FWIMUUQTJKTCMM-IBGZPJMESA-N 489.576 5.461 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 481806079 LBTPZYIDUANHQQ-UHFFFAOYSA-N 453.779 5.508 30 20 JKED CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 488022946 JJYLYOHWMDZVBD-SFHVURJKSA-N 461.562 5.365 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(OC3CCCCC3)CC2)cc1Cl 498008891 WMICEVGKZTZNHL-DEOSSOPVSA-N 451.998 6.341 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)c2)cc1 498367236 JZQTWUZKECRYGP-UHFFFAOYSA-N 495.436 5.323 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)c2)cc1 501415107 BVJQFSCODKIJIU-UHFFFAOYSA-N 489.522 5.101 30 20 JKED C[C@@H]1CCc2c(sc3nc(SC[C@H](C#N)CCC#N)n(CCc4ccc(F)cc4)c(=O)c23)C1 508426298 NZUSQAVXUAUIEJ-AEFFLSMTSA-N 480.634 5.500 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 510040891 CNLQIBFWYGUOIG-VWLOTQADSA-N 471.992 5.463 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3Cc3ccccc3Cl)s2)cc1 510596295 BLBRTCLEUSNETA-SFHVURJKSA-N 470.023 5.594 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 510997272 KSINGSAGQXSZQA-UHFFFAOYSA-N 460.603 5.522 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2)c1 511498974 LYOPBIGPSQGCLR-JOCHJYFZSA-N 467.554 5.789 30 20 JKED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 515813002 CLIVNVOEPPGYTM-BJKOFHAPSA-N 459.977 5.490 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cnc(-c4ccccc4F)s3)s2)cc1 516335969 OJPZCDJVGMTDAV-UHFFFAOYSA-N 453.549 5.217 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3S[C@@H](C)CC#N)[C@@H](c3ccco3)C2)cc1 517534926 KQVPYKYHKUWWIH-FDDCHVKYSA-N 474.586 5.472 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1Cl 518115547 IYYRTTUFRZRJMB-UPVQGACJSA-N 461.924 5.437 30 20 JKED C=CCN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518255529 OPIWWOPCMAYHHE-OAQYLSRUSA-N 493.571 5.088 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)cc1 518516699 SQWIHNVSYNFQFP-XMMPIXPASA-N 497.601 5.454 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1 519413373 SGWSUBTUWGANBN-OAHLLOKOSA-N 455.634 5.715 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 519947053 GVFRRDRNDBZMHX-UHFFFAOYSA-N 467.485 5.203 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 522482403 JUGUTOAWMJFRLD-VWLOTQADSA-N 461.521 5.773 30 20 JKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2occc2COc2cccc(C#N)c2)c1 522582250 LAEBSFXGAITLFX-UHFFFAOYSA-N 451.910 5.116 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)cc2Cl)cc1 523152313 CELYTEKOBBUHBC-UHFFFAOYSA-N 484.899 6.371 30 20 JKED Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524392350 CRLYYGDFOVHHFQ-UHFFFAOYSA-N 461.934 5.265 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524422645 ZUMJJZMJMFSHJQ-MRXNPFEDSA-N 497.979 5.629 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1nc(-c2ccccc2)cs1 576523528 RKNKNXGQCYKLPI-KRWDZBQOSA-N 492.354 5.908 30 20 JKED CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1C(F)(F)F 590335374 LAOLZGSRVHHGSW-UHFFFAOYSA-N 471.760 5.619 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)cc2F)c1 590480321 UUDZQTKYUYHCQL-UHFFFAOYSA-N 474.488 5.039 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)c1 603460918 RCWLEDPBFXEAGG-UHFFFAOYSA-N 469.488 5.238 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 603527722 XPCDEXBTHNHTHV-UHFFFAOYSA-N 488.638 5.606 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)s2)cc1 603615696 WKIOETMCYDEWCI-UHFFFAOYSA-N 477.615 5.473 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)Cc3csc(-c4cc(Br)cs4)n3)cn2)c1 603960557 ZHWBBVGREGZCRR-UHFFFAOYSA-N 497.399 5.874 30 20 JKED CN(Cc1ccc(Br)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604156712 NYOOJVDJAUKYKR-OAQYLSRUSA-N 496.792 5.355 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604464730 NAUIJZBSIRKMBU-UHFFFAOYSA-N 454.313 5.254 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 609067990 BPWPQFMLWDALID-LJQANCHMSA-N 469.875 5.313 30 20 JKED CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cc2ccccc2n1CC#N 609162321 JMPNQSLYPIECKP-UHFFFAOYSA-N 459.571 5.476 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3SCCC#N)[C@H](c3ccco3)C2)cc1 609385990 VIZOEYRKBBLZII-QFIPXVFZSA-N 460.559 5.084 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1ccc(F)c(Br)c1 609389812 XUOIIQKXNJYQLZ-CYBMUJFWSA-N 453.402 5.712 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3sc(NC(=O)c4cccc(F)c4)cc3C)n2)cc1 613318184 OSHPIHPHWZXXSG-IBGZPJMESA-N 475.570 6.370 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319212 AJNMMIOIRRCBDW-XUZZJYLKSA-N 499.979 5.896 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 643160508 RCVKEBSYYKXXRG-FOLVSLTJSA-N 465.413 5.196 30 20 JKED Cn1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccc1-c1ccc(Br)cc1 726322864 PTWQDJKATRRSAG-HNNXBMFYSA-N 469.289 5.689 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2)c1 726396494 SASJUPYYNGFNBZ-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)s2)cc1 726572349 ZMJMOPDIDDESIP-UHFFFAOYSA-O 475.446 6.490 30 20 JKED COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N 726626846 HMPYEPVXXBORRR-FGHSJCFPSA-N 479.410 5.867 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O)Nc1ccc(Cl)c(Cl)c1 726716832 RNIYRDXXNVIEGR-AWEZNQCLSA-N 462.280 5.260 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1sccc1Br 727058556 RPMVVEPUCCZMHL-UHFFFAOYSA-N 450.383 5.148 30 20 JKED COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 728063207 ZNUSDMICXKLARV-PMACEKPBSA-N 473.573 5.141 30 20 JKED CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 728163735 ZYWIGTWQSGNWOD-WNJJXGMVSA-N 477.612 5.023 30 20 JKED N#Cc1ccc(N2CCC[C@H]2C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 728345703 PGKJXQBMCSBFIF-NRFANRHFSA-N 489.984 5.553 30 20 JKED C[C@H](CC#N)N(C)Cn1nc(-c2ccc(F)cc2)n(-c2ccc(SC(F)F)cc2)c1=S 728902675 VKOUCWFSOHVXJK-CQSZACIVSA-N 463.554 5.716 30 20 JKED CN(C[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1)C(=O)OC(C)(C)C 729391068 DYOJTDULBILYJJ-GOSISDBHSA-N 451.592 5.038 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2ncccc2C)ccc1Cl 729439592 DCQIKSNGCQZNIQ-UHFFFAOYSA-N 490.412 5.008 30 20 JKED O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1c[nH]c2cc(Br)ccc12 730436234 HHQMGZFSOPMXHP-VMPITWQZSA-N 462.347 5.211 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCC2)C1=O)Nc1ccccc1Br 730461390 NSRMXIPFKQVYFM-GOSISDBHSA-N 492.826 5.615 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1F 730688526 XZGURRRXYBVQAS-IBGZPJMESA-N 489.503 5.926 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(Cl)c2)o1 730720400 QJQWMSIFNQHBFG-DJKXOVBDSA-N 495.992 5.007 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 731063286 QKVJKHVETANKSC-KRWDZBQOSA-N 492.984 5.618 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cocn2)C1=O)Nc1cccc(O)c1 731311880 GBTDBOWBOBNFFJ-XMMPIXPASA-N 498.564 5.208 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1CSc1cccs1 742979898 HJVSCIMZJNYDCF-WNSKOXEYSA-N 456.589 5.386 30 20 JKED COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1Br 746006881 WMPLBRSPNQEISU-ALCCZGGFSA-N 493.329 5.773 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S 746050629 VDZJKGSURLGCTP-UHFFFAOYSA-N 475.643 5.169 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(CCc2nccs2)C1=O)Nc1ccc(F)cc1 747599471 JHYHAAQOMJPBHZ-GOSISDBHSA-N 488.997 5.139 30 20 JKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 748705436 IOTODZQZVDHKTI-VWLOTQADSA-N 470.573 5.209 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1 799213900 ACERWOGHTQNJQU-OAHLLOKOSA-N 477.842 5.141 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(OC(F)F)cc1 799219530 TYSLVNNBJBMDJX-MRXNPFEDSA-N 498.349 5.031 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c1 837778946 KMZLBTRUJKWCJM-OAQYLSRUSA-N 467.591 5.665 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@H](C)c2ccccn2)cc1 837918408 MQZXGEIQYCMSSE-HOYKHHGWSA-N 488.613 5.374 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 838090343 CWLVCHGZEKLVMK-GAJHUEQPSA-N 492.576 5.341 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1 838090441 ZHAYOHSWFLLBMJ-NRFANRHFSA-N 465.600 5.307 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 914541360 QMASRIMRSXXDND-JPYJTQIMSA-N 493.032 5.443 30 20 JKED CCOc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)cc1 914995761 YTJCEEKSEFASGW-HNNXBMFYSA-N 495.626 5.595 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 915180736 RJKSZNCURHBPII-SANMLTNESA-N 457.489 5.395 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@H]2CCCC[C@H]21 915187778 ZVKHKSQQUYUTDH-MUUFRUSVSA-N 493.607 5.763 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1Cl 916273301 WSURPKLXXXEYIH-UHFFFAOYSA-N 459.314 5.531 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1ccc(C(C)(C)C)cc1 916367683 KRRXWDVAYREEJQ-QFIPXVFZSA-N 480.634 5.576 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(NC(=O)OC)cc2)nnc1-c1ccc(Cl)cc1Cl 916473344 DIPPWQMQJXDSFQ-UHFFFAOYSA-N 492.388 5.347 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 916898486 BTOFGVVJWPLNOH-UTKZUKDTSA-N 463.965 5.646 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(Br)ccc1F)C(=O)Nc1ccccc1Oc1ccccc1 916905064 LRZKXLCQPZOTTO-QHSLDKKCSA-N 479.305 5.741 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c2c(C)c(C)sc2n1 916944506 GMPAJSWQMGFSTR-HNNXBMFYSA-N 479.414 5.363 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)[C@@H](C#N)c4nc(-c5ccccc5)cs4)nc(O)c23)C1 917027020 TWHSSMYAMONHHR-WMLDXEAASA-N 474.611 5.454 30 20 JKED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1 917038942 WTSGVBIMIOPWRT-ZZLBYYGFSA-N 450.947 5.116 30 20 JKED N#C[C@H](C(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1)c1nc2cc(Cl)ccc2s1 917047066 QECJJOJSPBDVTE-MRXNPFEDSA-N 492.969 5.080 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 917517628 JWLUSUUKMGKWFK-NYYWCZLTSA-N 452.436 5.100 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 918034848 XGPKYDNLFNFJCD-HSZRJFAPSA-N 473.964 5.273 30 20 JKED Cc1c(-c2ccccc2)sc(NC(=O)c2ccccc2OCC#N)c1C(=O)N1CCCCC1 919989411 VGBYNJBUBKSIJI-UHFFFAOYSA-N 459.571 5.504 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(COc2cccc(Br)c2)o1 920106005 QWOFGODBLZZQTA-IBGZPJMESA-N 477.314 5.616 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920140415 GVCZYVLYWPKBSA-JOCHJYFZSA-N 455.518 5.042 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 920141511 PRMDJFCBKKWKNA-OAQYLSRUSA-N 460.518 5.026 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)cc1 920357471 UQQXWYPVADWYOF-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1cc(CSc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)on1 920806649 MXJQZJSQSSWWBA-MRXNPFEDSA-N 467.522 6.167 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nc3scc(-c4ccccc4Cl)c3c(=O)n2C)n1 921275353 CNXCTCUPOVAZKU-CYBMUJFWSA-N 487.031 5.049 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 928284300 HOAXRRJAJPPCOR-LJQANCHMSA-N 485.544 5.073 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2SCc2cscn2)cc1 928985549 DUEYFWROHRVPCC-GOSISDBHSA-N 465.600 5.236 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4F)CCC3)cc2)cc1 1785882747 BXKDCIQFJXYKDJ-UHFFFAOYSA-N 466.516 5.169 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)cc2)CCC1 1786028912 GNDLHJVNIVNQMY-RPBOFIJWSA-N 483.543 5.014 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4csc(-c5cccnc5)n4)cc3)CCC2)c1 1788676070 OERCNLFVVOJSMG-UHFFFAOYSA-N 493.592 5.447 30 20 JKED Cc1cc(C(N)=O)cc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789512619 NAHWMRWDORCPPY-FQEVSTJZSA-N 494.595 5.091 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4OCCc5ccccc54)CCC3)cc2)cc1 1790286907 MJTIBXBSSVLJLD-SANMLTNESA-N 465.553 5.010 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)cc2)CCC1 1790690121 HTGJNBRNSSRAJC-INIZCTEOSA-N 469.607 5.100 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)ccc1F 1790764193 OSUFYZHJNQGXMK-UHFFFAOYSA-N 462.912 5.116 30 20 JKED COc1c(Cl)cccc1C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1 1790836960 FKNMNHGPNOPXBY-UHFFFAOYSA-N 499.958 5.158 30 20 JKED CC(C)[C@@H](C(=O)Nc1ccc(C2(NC(=O)C(C)(C)NCCC#N)CCC2)cc1)c1ccc(Cl)cc1 1791192153 PBELOPSBZBXOBD-XMMPIXPASA-N 495.067 5.496 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1791454222 OWUUPMWSJOBKDQ-DHIUTWEWSA-N 481.637 5.288 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1 1791583883 DBFNHTKTDSXVPV-UHFFFAOYSA-N 469.541 5.083 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2C1 1792075043 MAAAUTDURKSOAZ-QOKNQOGYSA-N 487.855 5.233 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(Cl)c4)CCC3)cc2)c1 1792122390 LFMTVQUAGNKNEM-KRWDZBQOSA-N 458.949 5.424 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4coc(Cl)n4)CCC3)cc2)cc1C#N 1792168236 BTZXEKJUSGCDFW-UHFFFAOYSA-N 478.936 5.048 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4-c4ccccc4)CCC3)cc2)CCC1 1792230511 VSLQZULVMJSSLZ-UHFFFAOYSA-N 450.542 5.190 30 20 JKED Cc1nc2cc(C(=O)NC3(c4ccc(NC(=O)COc5ccccc5C#N)cc4)CCC3)ccc2s1 1792240609 LQHGGZRSFANQNT-UHFFFAOYSA-N 496.592 5.303 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(Br)c(F)c3)CCC2)cc1 1792266919 AFMXTXZPWDYCJV-UHFFFAOYSA-N 471.370 5.068 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4c[nH]c5ncccc45)cc3)CCC2)c(Cl)c1 1792291674 SOVANBLSDVFFTN-UHFFFAOYSA-N 497.986 5.468 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1792387754 NELGQQAPHKZCTD-MUUNZHRXSA-N 495.664 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cccc(Br)c1F)C2 1798590911 DMENWCAZEGGHOX-REPLKXPHSA-N 479.434 5.151 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(OC)c1)C2 1798593147 VZVUHWPYOODMEM-KOUNCHBCSA-N 461.606 5.001 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1802437201 LTBSZACXVJUGEM-XIPGCIFSSA-N 493.749 5.304 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)[C@H]1c1cccnc1 1802492629 QHAZKQBOGLNLAQ-DHLKQENFSA-N 472.589 5.049 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2C)[C@@H]1c1cccnc1)c1ccccc1 1802703661 DEKYWBGTCNWFMB-MPYJOUPCSA-N 483.587 5.046 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)[C@H]2c2cccnc2)o1 1803786706 WADPJLNFTBVFRC-PXJZQJOASA-N 489.575 5.016 30 20 JKED Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc(C#N)cc(C(F)(F)F)c4)CC3)C2)c1 1806529992 ILLXUTQGZZPFHS-UHFFFAOYSA-N 497.561 5.363 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H]1c1cccnc1 1808951463 GCEKHGBVEMFNMD-IADCTJSHSA-N 476.580 5.193 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4ccc5ccccc5c4)C3)CC2)c1 1809127964 DSECIKQKQPXKAT-HSZRJFAPSA-N 479.624 5.554 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3cc4cc[nH]c4cc3Cl)[C@@H]2c2cccnc2)c1 1809403358 SRFQZYYSSJUEPH-LVXARBLLSA-N 497.986 5.030 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1811304891 RGPFXJIJGAAYKV-JIPXPUAJSA-N 482.609 5.024 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1811420438 OSWUSHZVXCIMBP-OZXSUGGESA-N 487.003 5.363 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1)C(F)(F)F 1811441300 GRSDZYLOUFBFIN-XUZZJYLKSA-N 497.492 5.326 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1812234573 YKEFHOHXFKXSQV-DVECYGJZSA-N 479.024 5.528 30 20 JKED CC#C[C@@H](CC(=O)NC[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1)c1ccc(O)cc1 1813120884 WVXGHWYHNKQQKJ-KPTQJSJOSA-N 499.655 5.127 30 20 JKED CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813868381 MFLGIYIYLZZACA-TXQOIQMMSA-N 480.612 5.295 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1813937720 JBUKRNIIDUAZTN-VGSWGCGISA-N 475.967 5.325 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2ccc(Cl)cc2)n[nH]1 1814659181 AHRHQUZCDRGAKZ-RDTXWAMCSA-N 450.917 5.070 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)[nH]n1 1814829186 AUGPAAROOMTNOE-GOSISDBHSA-N 495.933 5.551 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1)C(F)(F)F 1816102360 WTFOINUCVCLPFI-HXUWFJFHSA-N 471.483 5.138 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(-c3cccc(OC)c3)c2)n[nH]1 1816108955 SFZQFXVGZPRPFA-RCZVLFRGSA-N 487.604 5.488 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3sc(C)nc3c2)n[nH]1 1818701888 YATVRRNLJKFQAJ-WIYYLYMNSA-N 463.607 5.402 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2-c2ccccc2)[nH]n1 1819308164 XDKUJAXAOSDGLQ-SQJMNOBHSA-N 469.589 5.546 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CSC2CCCC2)[nH]n1)c1ccccc1 1819516893 OTJQOFMGXOYCJF-UPVQGACJSA-N 478.662 5.275 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)[nH]c12 1820219035 JBBZQBIAPPKAQO-NRFANRHFSA-N 486.963 5.344 30 20 JKED Cc1snc2sc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)cc12 1821182089 HXBWLXNXIHVBKX-IBGZPJMESA-N 490.614 5.075 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@@H]4CCC[C@@H]5CCCC[C@@H]54)[nH]n3)c2c1 1821382244 YKNWYXLOXVMQFH-KTIHBUSBSA-N 499.619 5.070 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)ccc2[nH]1 1821585497 IKRDRIGELBKBHO-JOCHJYFZSA-N 486.963 5.344 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccsc3)[nH]n2)cc1C#N 1823291592 ZCJFBAUAORHHBX-MECCDNJOSA-N 489.601 5.149 30 20 JKED COC(=O)CCCCCCCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(C)(C)C#N)[nH]n1 1823534068 DZQKHOFVAQJQQB-NRFANRHFSA-N 487.645 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(OC)ccc3o2)CC1 1823752232 MZCYYLSJGHYCNI-HSZRJFAPSA-N 466.622 5.667 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)oc3cc(O)ccc23)CC1 1823752759 YVCWGUISUGOFFG-HSZRJFAPSA-N 466.622 5.673 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)cc2F)CC1 1823930859 SMXWMRHZOUNGOE-JOCHJYFZSA-N 477.418 5.015 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1824951509 LLVRLLGYKILNLT-XMMPIXPASA-N 494.035 5.141 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)CC1 1826637699 CXHSSJDLSCPXRR-IZZNHLLZSA-N 482.665 5.025 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC[C@H]3CNc4ccccc4C3)CC2)c1 1826952991 ZMRFVSMOHCZAEW-RNWIMVQKSA-N 498.671 5.165 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ncsc34)CC2)c(Cl)c1 1828678554 MFBAMJNZHMHOII-QHCPKHFHSA-N 493.032 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1828829610 KKAOUVKDPBQUDD-FCEKVYKBSA-N 477.693 5.039 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1828830118 LJWDEFJWKFHHSO-LOSJGSFVSA-N 482.665 5.025 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1 1828830418 VKQQSNJLOJCWGZ-AHWVRZQESA-N 482.640 5.616 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1828889437 RFZTUTHSGPIGAF-XZOQPEGZSA-N 495.491 5.119 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccc(F)cc2)CC1 1829068467 YAENCNPILYHWIH-XMMPIXPASA-N 458.618 5.207 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1829521120 SAYWQEIMHLQJNV-GDLZYMKVSA-N 492.623 5.362 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c(Cl)c1 1829672337 OQGYZXHFGPJBSH-VWLOTQADSA-N 492.982 5.379 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)c1 1829679534 SQPAWXWUAKXCOD-ZTHQAGOMSA-N 491.676 5.407 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829688058 PZWLFNQGLRMKSW-DEOSSOPVSA-N 494.035 5.141 30 20 JKED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1829691864 RBDGHZRZVMZJMA-YADARESESA-N 464.009 5.249 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829959429 SQSVZEGEWFJYJR-SANMLTNESA-N 473.617 5.283 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csc4c3CCCC4)CC2)cc1 1830015905 VPWCNFBRDSNSRJ-XMMPIXPASA-N 461.631 5.046 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)cc1 1830631931 SLVZHJSQVHQQMY-NRFANRHFSA-N 485.415 5.002 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)c1 1830717380 VFXPSTPBUCWQOI-RUZDIDTESA-N 494.010 5.316 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)c[nH]2)cc1 1830718223 XAGREAQMKIHZCZ-NDEPHWFRSA-N 498.602 5.548 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1830787559 GYBDXQVQAGOEKU-WXVAWEFUSA-N 487.644 5.486 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831298083 ZPMVNJIGEDHNLV-PGRDOPGGSA-N 450.545 5.080 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1831375722 DBQINCMHNCKCPX-MHECFPHRSA-N 454.014 5.334 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1831695551 BTSDKOYNNIMMJF-JTJYXVOQSA-N 453.602 5.147 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831749004 LHEIGZQATMYOBR-NRFANRHFSA-N 476.448 5.194 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1832028493 VICWVZDXDORLDN-NRFANRHFSA-N 472.054 5.377 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(N(C)C)cc2)CC1 1832056020 WVGMMGLHXKJBMY-RRPNLBNLSA-N 465.682 5.073 30 20 JKED COc1cc(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633322 GQDYVHUMDYFLSZ-IDISGSTGSA-N 473.617 5.178 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)ccnc3Cl)CC2)c1 1832634063 HNDDUUWKNGZUPP-JTSKRJEESA-N 482.987 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1835819936 FUFCJHFCXBKDPP-UHFFFAOYSA-N 494.507 5.479 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)CC1 1836697637 OFVPTDOCCIZXFC-UHFFFAOYSA-N 466.666 5.266 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)o1)c1nc(-c2ccccc2)cs1 8633918 MJNPVFCZXKVUNC-UHFFFAOYSA-N 464.572 5.180 30 20 JKED C[C@](C#N)(NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1)C1CC1 8803975 ZUNGCHBNULQBEF-RUZDIDTESA-N 489.988 5.506 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10167634 YJAUXJVQNLZJHE-UHFFFAOYSA-O 465.642 6.487 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)c1C 10167887 YOLMDMALFQYPGM-UHFFFAOYSA-O 451.562 5.799 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cs1 10778135 NGFSDZJQQIIIAJ-CQSZACIVSA-N 489.475 5.229 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10831593 UDDXXRNBIYUHEB-UHFFFAOYSA-O 488.032 6.278 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1cccc(Cl)c1 10991226 NYTLEKKAAVRNQC-UHFFFAOYSA-N 474.977 5.022 30 20 JKED CCOc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccc(OC)cc3)=C2C)cc1 11206857 KNLJIIOXSMQPDC-SANMLTNESA-N 498.608 5.314 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccc(CC)cc2)c1C 11259036 NRLQGLKLRUKVCQ-UHFFFAOYSA-O 499.056 5.671 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)cnc21 12516100 WPXZSKHTEUQLSM-INIZCTEOSA-N 464.616 5.086 30 20 JKED CCOC(=O)c1sc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c(C#N)c1C 14596583 SUHLUVOPSBPCLA-UHFFFAOYSA-N 460.511 5.682 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)n(Cc2ccc(F)cc2)c1C 16582102 PQYJRYWZXFWSFP-UHFFFAOYSA-N 474.319 5.266 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2cc(Cl)ccc2c1=O 16827244 NAMTYRVEQKVFIR-LBPRGKRZSA-N 467.900 5.374 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccnc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 16866211 SHEDLRQTOUFPQD-HNNXBMFYSA-N 456.015 5.596 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 20046345 LPEACWYHDRECMN-UHFFFAOYSA-N 459.962 5.385 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 22139395 YSOOCGBHBAGUHX-UHFFFAOYSA-N 453.523 5.313 30 20 JKED Cc1ccc(C)c(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 22729780 CEHAZCRZXXUALZ-UHFFFAOYSA-O 459.679 7.063 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nc2sc(C)c(C)c2c1=O 23405035 GMJYHVBYKCIYAZ-INIZCTEOSA-N 455.649 5.505 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 23518582 AGXKRRYGCZPRNZ-CVEARBPZSA-N 474.989 5.194 30 20 JKED COc1cccc(NCc2nnc(SCC(=O)N(CC#N)c3ccccc3)n2C2CCCCC2)c1 25255947 KSNBJWCMOTZVQY-UHFFFAOYSA-N 490.633 5.053 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 26133697 NYVLTBKVRCQTIT-GOSISDBHSA-N 479.989 5.084 30 20 JKED C=CCn1c(SCC(=O)OCc2csc(CC)n2)nnc1-c1ccc(Cl)cc1Cl 28102226 FSBCASIYQNSKDQ-UHFFFAOYSA-N 469.419 5.292 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccccc2)c1C 28793847 IZDGZQXHBYUQFE-UHFFFAOYSA-O 485.029 5.417 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 29827700 ZCGRDVNYHHBESH-RCDICMHDSA-N 489.432 5.171 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 32787598 DTSSKXICXPETBE-HNNXBMFYSA-N 491.667 5.935 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 69627206 JIFXSUQXLUYPBD-QHCPKHFHSA-N 482.005 5.278 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)cc1Cl 72098122 HLDQOZJLEMDCPP-HKUYNNGSSA-N 465.859 5.097 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 195711515 SJUFWGVOBFBHRB-HXUWFJFHSA-N 457.386 5.140 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1Cl 303241075 JSAMUOILYFEFHI-QFIPXVFZSA-N 462.336 6.485 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)Nc4ccccc4SC[C@@H](C)C#N)c3)cn2c1 303277695 JFMKQSSNMLMCMU-IBGZPJMESA-N 456.571 5.726 30 20 JKED N#C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccc(Cl)c1Cl 303295609 BRXCFYDYLYLUST-HXUWFJFHSA-N 465.340 5.303 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 303374203 KXAYQMGITHTUJT-AUSIDOKSSA-N 476.671 5.921 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 410134304 MJBXPUGUYLNCLJ-UHFFFAOYSA-N 489.347 6.030 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3Cc3ccccc3)c2)cc1 484146531 YYDBGBUNZCUPKO-NAKRPHOHSA-N 481.596 5.188 30 20 JKED CCN(C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1)[C@H](C)c1ccc(C#N)cc1 486987789 YBSAFGNBIOIKTI-MRXNPFEDSA-N 451.368 5.347 30 20 JKED C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 487389858 UPLLVCLFQZZUIW-BFUOFWGJSA-N 484.503 5.471 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2)c1 496612769 QWKSJGKOYXNINO-UHFFFAOYSA-N 469.482 5.095 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)Cn4cc([N+](=O)[O-])cn4)c3C#N)C(C)(C)C2)o1 498156937 QOCCGZQXIWCJCZ-FNORWQNLSA-N 463.519 5.043 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)s2)cc1 499314654 UONFCZRKLSCTJS-SJORKVTESA-N 471.405 5.207 30 20 JKED Cc1cc(SC2CCCCC2)ccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 499765419 RCBQKIFQLRSHPH-UHFFFAOYSA-N 456.633 5.750 30 20 JKED COc1ccccc1CC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 501135132 PMZGTVGGTSUROK-UHFFFAOYSA-N 498.583 5.023 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 502681073 PRZKRMMMKNVQEZ-QZTJIDSGSA-N 490.417 5.418 30 20 JKED CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 502818696 YACVXQKUUZEBBY-UHFFFAOYSA-N 485.971 5.154 30 20 JKED Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 503021635 ZEESEPPTHRZPTI-UHFFFAOYSA-N 465.553 6.467 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 506293862 HQCIEOYINPRXNH-NRFANRHFSA-N 488.396 5.244 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 506293863 HQCIEOYINPRXNH-OAQYLSRUSA-N 488.396 5.244 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccccc2N2CCCC2)cc1 508254793 ZBWNHNGJOUJKAC-UHFFFAOYSA-N 456.546 5.623 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 509600669 MFPPZPNOHGDFBQ-UHFFFAOYSA-N 469.570 5.324 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)cc1 510557650 FYCHGPQISZKPPT-MRXNPFEDSA-N 472.383 5.155 30 20 JKED C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(C#N)cc1 511560719 NGQIOGOEEXZJTF-OAHLLOKOSA-N 484.375 5.036 30 20 JKED COc1ccc([C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccc(F)cc2)cc1 512121272 HQGLGEHEMUYWEM-SANMLTNESA-N 456.473 5.397 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccc(C(F)(F)F)cn1 513155963 QSPFGFYQFZIFIN-IBGZPJMESA-N 475.536 5.379 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1C 515426386 CWJJPIKIXIQUFS-UHFFFAOYSA-N 491.400 5.611 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 516055008 LWSBLHAQZYMMPB-UHFFFAOYSA-N 472.932 5.253 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)n2)cc1 516270189 OZGLHRMPYKZKKN-SFHVURJKSA-N 474.563 5.808 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)c2)c1 516431108 KGFJEKGBDQACKN-HHHXNRCGSA-N 495.966 5.635 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 516713735 IAGLUAHQNDHDHF-INIZCTEOSA-N 465.378 6.209 30 20 JKED CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 518159161 XPOGLDFJOPGPEG-SFHVURJKSA-N 463.525 5.206 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 518652945 MTUOLXHSWKEKEZ-MRXNPFEDSA-N 476.627 5.252 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cc1 518756201 JYVFPTSRZSYZKD-UHFFFAOYSA-N 464.550 5.750 30 20 JKED N#C[C@H](C(=O)c1cnc2ccccc2c1C(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 519248806 IGGUQIYKCMOPLC-GFCCVEGCSA-N 459.399 6.145 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3SCCC#N)cc12 519406934 HDXZHZSKBPVOQM-UHFFFAOYSA-N 467.019 6.366 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CCOCC1 520856972 ZMPZLMBEYFIHSR-INIZCTEOSA-N 474.424 5.528 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(I)cc1Cl 521725991 ITBWFIZARQMBCP-NSHDSACASA-N 456.736 5.449 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCc1c(Cl)cccc1Cl 524434174 FIDBHHOMKDXPDY-UHFFFAOYSA-N 468.340 5.007 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2cccc(F)c2)CCCCC1 524674904 IJDBAKLJUUMKFI-GOSISDBHSA-N 453.583 5.034 30 20 JKED C=CCN(CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)Cc1cccc(C#N)c1 553935567 IAJRSTSQRPNPAC-QFIPXVFZSA-N 466.585 5.018 30 20 JKED C[C@@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)c(Br)c1 594837325 BQPLBTOLWJTMTL-MIMYLULJSA-N 479.234 5.858 30 20 JKED C=CCN(C(=O)c1sc(-c2ccc(Cl)s2)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 595989830 QMNYJLXLUUIFRN-CQSZACIVSA-N 471.011 5.199 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)nnc1-c1ccccc1F 600392945 UFLZRTACDUXRHE-UHFFFAOYSA-N 495.363 5.094 30 20 JKED Cc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1NC(=O)c1ccc(Br)cc1 603638101 RFJGKSYCPZFUJR-UHFFFAOYSA-N 462.347 5.154 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603728800 LUWYQGGUFGLDTG-UHFFFAOYSA-N 495.033 5.339 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(OCc2cccnc2)cc1 603815981 JVFKASOQDDPZJH-JOCHJYFZSA-N 492.579 6.188 30 20 JKED Cc1nn(Cc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)c(C)c1[N+](=O)[O-] 603836593 LEHSBPIXESBYEC-FQEVSTJZSA-N 491.960 5.723 30 20 JKED C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1cc(Cl)ccc1C#N 604009987 JHPVTAUXRHNQPZ-GASCZTMLSA-N 459.377 5.319 30 20 JKED Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)s1 604142479 OETCDDQZIBSEMH-QVKFZJNVSA-N 451.979 5.490 30 20 JKED CCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)c(C#N)c1C 604508833 LMRPJZLHXJLEIW-UHFFFAOYSA-N 480.398 5.716 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)cn2)cc1 604566851 ZPCBDTPOKRZXBA-UHFFFAOYSA-N 480.471 6.069 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3cscn3)CC2)cc1Cl 608994771 URLAIPFUNLUWDP-JOCHJYFZSA-N 466.010 5.192 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1 608995884 LCHIIDFBHYIWCI-JOCHJYFZSA-N 471.513 5.499 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 609066694 SZIGZHZGKYNGIC-UHFFFAOYSA-N 470.495 5.583 30 20 JKED N#C[C@H](NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccc(OCc2ccccc2)cc1 609174926 ZPGYEWGVTASCFB-MHZLTWQESA-N 477.520 5.151 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)c1C 609382675 MYKYRLUYZYJDFB-KRWDZBQOSA-N 479.627 5.608 30 20 JKED N#C[C@@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)c1nc(-c2ccc(Cl)cc2)cs1 613320044 SKGZJSPBWOGWAX-SFHVURJKSA-N 455.930 5.663 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(CC)nc3c2)c1 617068340 IOYJYNBQBXYOSN-UHFFFAOYSA-N 495.988 5.677 30 20 JKED O=C(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1cc(C(F)(F)F)ccc1Cl 618449736 WBJMFCBYZUTNOE-NXEZZACHSA-N 456.736 5.360 30 20 JKED Cc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c(OCC(F)(F)F)c1 622423668 FDDAZWIKVFXCEZ-UHFFFAOYSA-N 475.364 5.210 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1cccnc1 623014790 LHKKWPWPYGHSQY-QGZVFWFLSA-N 477.590 5.077 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 726394541 VJWDSFFQTRCPMU-FOIQADDNSA-N 494.444 5.056 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(Br)c2)c1 726571405 HAJDPCNMTZVZTG-UHFFFAOYSA-O 485.814 5.893 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)cc1Cl 726571877 MDCYWFTUZHHHCP-UHFFFAOYSA-O 484.988 6.195 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3Cl)n2)n(Cc2ccco2)c1C 727562445 CCGMTYLPJZDDBP-UHFFFAOYSA-N 494.960 5.190 30 20 JKED CC(C)CC(=O)N[C@@H](C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 727627858 IOBGUTZLBZTHAG-OXQOHEQNSA-N 459.493 5.395 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccsc2)cc1 728423879 XJMNBSCZKUCRCC-QFIPXVFZSA-N 490.610 5.179 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CCCCC#N)cc1 728780586 UUOCYWINVKDVAH-JOCHJYFZSA-N 499.036 5.565 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 729063153 BRGJLLKIOZHOEA-CLOONOSVSA-N 457.599 5.658 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c1C 729143313 PITISPGPPRRCIX-FQEVSTJZSA-N 464.616 5.229 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c1OC 729430661 ZAKNVPZAJSYLEH-QGZVFWFLSA-N 466.950 5.061 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2C2CCC2)c1 730458640 BIQCZDZNNXKJKK-IBGZPJMESA-N 472.954 5.069 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CCC2)C1=O 730459569 LKALQTSDVRLXRX-IBGZPJMESA-N 491.585 5.523 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCC2)C1=O)Nc1ccccc1C(F)(F)F 730460314 XLRICPSESUIHFM-GOSISDBHSA-N 499.917 6.011 30 20 JKED CC(C)[C@@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\[C@@H](C)c1cccs1 730730018 RYLSDIBIGVLVLR-YJMDKQRDSA-N 493.658 5.325 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)s2)cc1 730921551 WHQCYSJGVXETON-CLOONOSVSA-N 494.620 5.898 30 20 JKED C[C@@H](OC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21 731255799 XLQHBPGRGOKUDJ-HXUWFJFHSA-N 499.592 5.475 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2F)cc1F 731307145 CTABYXKAQNJRDE-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)CCc1ccco1 731311063 VTMRURNILUYARZ-FDDCHVKYSA-N 477.586 5.275 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2ccccn2)c1 731311707 DPOQWNTVQYBBAE-XMMPIXPASA-N 488.613 5.114 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccn2)c1 731313202 UPMWCTARQYLPGV-QHCPKHFHSA-N 474.586 5.071 30 20 JKED Cc1ccc(F)c(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2cccc(C)c2)c1 744116028 OHQNYXDJALHLIJ-UHFFFAOYSA-O 464.586 5.460 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747002538 RCWOMLPZSBATKE-GAJHUEQPSA-N 465.475 5.519 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCOC2CCCC2)c1 747042738 IAVTZILRZASQSY-QHCPKHFHSA-N 481.618 5.005 30 20 JKED O=C1/C(=C\c2cnn(-c3ccccc3)c2)CN(Cc2ccccn2)C/C1=C\c1cnn(-c2ccccc2)c1 747317161 OZWNFTXZIJXDBU-KXRVLRRCSA-N 498.590 5.005 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cscn2)c1 747598418 BCHQPDXPKDVTCD-HSZRJFAPSA-N 486.622 5.765 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CC(F)(F)F)C2=O)c1 799215576 NHDNJYXGPDITPG-LJQANCHMSA-N 463.525 5.443 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 800378026 UPVDQRRUJAQEAZ-UHFFFAOYSA-N 469.928 5.460 30 20 JKED CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N=Cc1cc2ccccc2nc1O 912775466 HPHIFKZZYHXRRN-UHFFFAOYSA-N 455.514 5.741 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2F)cc1 914773120 YCCHQLOWCCZIBD-QHCPKHFHSA-N 495.551 5.272 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915085229 IXNPHUDOHITTFU-HSZRJFAPSA-N 457.530 6.077 30 20 JKED COc1ccc2c(C)c(CCC(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c(=O)oc2c1 915104156 MCPCAXLOWYBZPL-QGZVFWFLSA-N 486.471 5.548 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cc(-c2cccnc2)on1 915830041 MUUROFSRUBWPAD-QHCPKHFHSA-N 485.525 5.571 30 20 JKED COc1ccccc1NC(=S)NN=Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 915928215 XIHIWARLSJZENL-UHFFFAOYSA-N 493.536 5.176 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccco3)C2=O)c1 916206990 BOPXSHAWNLIAHI-JOCHJYFZSA-N 463.559 5.066 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccccn2)C1=O)Nc1cccc(Cl)c1 916209409 KULQKONNDOCUDW-OAQYLSRUSA-N 482.968 5.077 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)cc1OC 916209701 QOGCRTJYGWNQPH-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccn3)C2=O)cc1Cl 916211187 LIHGCXKPFZZUIV-OAQYLSRUSA-N 498.967 5.043 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)o2)cc1 916278671 OIYMZXSTJOOZDM-UHFFFAOYSA-N 455.499 5.361 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 916564560 CJPRLPPORHZESD-UHFFFAOYSA-N 490.368 6.044 30 20 JKED N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 916652523 BIVCKBFMAUDECM-OAQYLSRUSA-N 453.567 5.674 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1 916883427 RIVPWTVCYYAYFN-HSZRJFAPSA-N 471.944 5.777 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 916889859 IYPMZLAFGIFJIA-RTRPANQVSA-N 456.342 5.094 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916900957 VFSLYOSITOCZFA-IBGZPJMESA-N 467.953 5.137 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1Cl 916905819 NJMSQVCRXTUDGN-KRWDZBQOSA-N 469.324 5.542 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 916906571 DUWKMAYSSRNVII-JOCHJYFZSA-N 462.509 5.114 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc2cc(Br)ccc2o1 916909630 QAFFYEBIWFUWCM-GOSISDBHSA-N 475.298 5.949 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cs1 917536772 XCBLRXBUWMEQAP-UHFFFAOYSA-N 498.637 5.643 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(SC(F)F)cc1 917653477 OZCWKZCQJLCJJE-SFHVURJKSA-N 478.590 5.048 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(Cl)c1 917679840 UZJXMEAZUNYKLL-IBGZPJMESA-N 480.417 5.299 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C)s3)C2=O)c1 917705236 XQZOUKUOMVWZQP-JOCHJYFZSA-N 490.610 5.097 30 20 JKED COc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)ccc1C 920171692 WKFIATDMVXWRKG-DEOSSOPVSA-N 489.597 5.173 30 20 JKED COc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)ccc1C 920171693 WKFIATDMVXWRKG-XMMPIXPASA-N 489.597 5.173 30 20 JKED C=CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1OC 920804122 LKKCWCSPTROKMF-MNDMWVCDSA-N 452.482 5.551 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804743 XYBVVQNUEAKZED-OAHLLOKOSA-N 455.486 5.925 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1C 920852824 XWHUMPFIPXCOPF-UHFFFAOYSA-N 493.615 5.708 30 20 JKED COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O 920943489 YUSAJCCLLJPERP-UHFFFAOYSA-N 496.328 5.167 30 20 JKED CC(=Nn1c(S)nnc1COc1c(Cl)cccc1Cl)c1cnn(-c2ccc(F)cc2)c1C 920986921 AXISLQDQWSKHTM-UHFFFAOYSA-N 491.379 5.358 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2SCc2cscn2)c1 928985648 FRLLVWRHAJSLAE-LJQANCHMSA-N 479.627 5.544 30 20 JKED COc1ccccc1CCC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1786239845 KMAOSKWEHBUDDX-UHFFFAOYSA-N 485.559 5.015 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)nn3C)CCC2)cc1 1786370678 ACPGIQIYKPWCMG-GOSISDBHSA-N 493.007 5.079 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H](S)C(C)C)cc3)CCC2)c(C(F)(F)F)o1 1786391610 PAWWELJAHJCJNV-KRWDZBQOSA-N 454.514 5.309 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1 1786546369 SHLOTJKNUFXDOU-QFIPXVFZSA-N 469.626 5.170 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786697470 WWKQYAFORMNHTD-UHFFFAOYSA-N 452.982 5.437 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787952143 WMKFCNBCGWVGAS-LFBFJMOVSA-N 477.674 5.453 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)c(F)cc5[nH]4)cc3)CCC2)cc1 1789231307 WSFPEOHPAXRCAS-UHFFFAOYSA-N 470.479 5.379 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)s4)CCC3)cc2)c1Cl 1790083771 LFGKFHHWIXVJNK-UHFFFAOYSA-N 471.369 5.383 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790554266 ZEXRSIUEKJDHIO-OAQYLSRUSA-N 469.626 5.008 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCC1 1790650255 SHCSMOISVZDEHB-AMVVHIIESA-N 487.453 5.304 30 20 JKED COc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1C 1790708145 RVADEXKRAYYOEX-UHFFFAOYSA-N 453.542 5.131 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccn5c(C)cc(C)nc45)cc3)CCC2)c1 1791003004 ZGOTXZREQOOOEC-UHFFFAOYSA-N 477.568 5.193 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ncc(Br)cc3C)CCC2)cc1 1791299968 SYPLLZRUKKTLMN-UHFFFAOYSA-N 478.337 5.112 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc4n[nH]cc4c3)CCC2)cc1)c1ccc(O)cc1 1791646177 GXCOECVNBYDHRE-OAQYLSRUSA-N 492.579 5.213 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(F)c(Br)c3)CCC2)cc1 1792265280 JQTWJQXJAMJNEW-UHFFFAOYSA-N 471.370 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1 1797988344 CKIUZYOIFKHQGS-IYWMVGAKSA-N 459.512 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Br)cc3s1)C2 1798334666 HGBWUEZNCXUUJQ-IYWMVGAKSA-N 487.463 5.684 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCCCC(F)(F)F)cc1 1800811872 HHFPWJYXSMCPFX-KOUNCHBCSA-N 478.555 5.428 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1802503666 QRGIAFAPZWFIDR-CJFMBICVSA-N 493.051 5.837 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2cccc(C)c2)[C@H]1c1cccnc1 1803081851 IQFAYKPVUQSXRE-UHSQPCAPSA-N 494.639 5.540 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1803081877 IYINLSDOFOAOQO-RDGATRHJSA-N 485.550 5.117 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@@H]1c1cccnc1 1803091112 MXXWEQNAAAWHOR-XMSQKQJNSA-N 488.415 5.182 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(Cl)s2)[C@@H]1c1cccnc1 1804281947 OHBVRIBOHPBJNY-GCJKJVERSA-N 460.043 5.037 30 20 JKED C[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1)c1ccc(Cl)cc1 1805195006 SJLNTVCIXRRPMH-GOSISDBHSA-N 484.427 5.514 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C(C)(C)Cc4ccccc4)C3)CC2)c1 1805394229 OCUHWAHDPRNGDX-HSZRJFAPSA-N 471.645 5.427 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1806413293 JBGNGDGPCITCPE-IAPPQJPRSA-N 469.629 5.476 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)C2)CC1 1806571860 NOZJOYRMMIUTTQ-SANMLTNESA-N 479.709 5.122 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)Cc3ccc(Cl)s3)C2)CC1)c1ccc(O)cc1 1806797675 LVRXPRMJWSOLKR-NRFANRHFSA-N 499.076 5.078 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1807202158 ZGUQVKAPBWBBIG-UPVQGACJSA-N 496.449 5.241 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC2(CCCN(C(=O)C3(C(F)(F)F)CCC3)C2)CC1 1809606411 SQZJPCLFSLSNLN-UHFFFAOYSA-N 494.451 5.422 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1 1810415403 QZLNHIRFMJSBTO-WMZIYNKCSA-N 482.584 5.033 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@H]1c1cccnc1 1810473258 OYPOYOKWVKNHFN-BHBYDHKZSA-N 497.614 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1 1810495307 MUCQJRXTLRXBBT-REWPJTCUSA-N 450.627 5.019 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3C3CC3)[C@H]2c2cccnc2)c1Cl 1813756126 DMHCIRXHBGYWGZ-HFZDXXHNSA-N 484.987 5.117 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1813820625 DHWKNZHLJUVDRQ-OFNKIYASSA-N 454.014 5.355 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@@H]2c2cccnc2)c1 1813868641 PGOIVVSSBQHZNX-IUBQTAPSSA-N 490.966 5.135 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cn(C(C)C)cc3C(F)(F)F)[nH]n2)C1 1814394080 AHPKCDCQRYPZBW-LJQANCHMSA-N 463.504 5.083 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)[nH]n1 1814445569 QIXZVMBUKVSGGF-DGXIYAMASA-N 450.583 5.116 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)[nH]n1 1814830248 UNXVAUFYZKGMTC-QFIPXVFZSA-N 452.624 5.135 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)[nH]n1 1815214946 KHTRNWPBJXIGGC-PBHICJAKSA-N 472.998 5.175 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCC3CCCC3)n[nH]2)cc(C(F)(F)F)c1 1816696231 JQRKZXSBAPEUCX-OAQYLSRUSA-N 487.526 5.576 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817772469 VANMXZOTLKAJMD-XMMPIXPASA-N 478.556 5.235 30 20 JKED Cc1ccc(SCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc([C@H](C)C#N)c2)CC3)cc1 1818616568 FEERZSOQCRFPMI-XLIONFOSSA-N 490.654 5.097 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1819368904 GFHQNHPTRZQEDI-SJORKVTESA-N 499.826 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)[nH]n1 1819555644 RGGILBWUZVIYCO-LJQANCHMSA-N 499.612 5.648 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ncccc4c3)[nH]n2)c1Cl 1820218111 NCEVRHKZIGGLPY-QHCPKHFHSA-N 498.974 5.032 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)c1 1820483957 MQZMONHMTKXTQL-AREMUKBSSA-N 490.567 5.272 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)n[nH]1 1820668688 RNZUVHXAQLFYJN-LJQANCHMSA-N 474.646 5.152 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821271934 PTMKCQLHQDNANJ-JOCHJYFZSA-N 498.518 5.004 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1)C(F)(F)F 1821992087 RCVUAADITOLFJN-IBGZPJMESA-N 487.457 5.035 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)cc2n1 1823211458 GBFWGCSTTSQAOL-OPAMFIHVSA-N 482.544 5.106 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1)NC(=O)OC(C)(C)C 1823347703 GEVUELRECHCFDH-KCZVDYSFSA-N 499.656 5.008 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[nH]n2)CCC1 1823378986 UMSYJTMDJILKLW-NRFANRHFSA-N 498.612 5.619 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4F)CC3)n[nH]2)c1 1823448060 DABCLHYDYLCKLZ-UUOWRZLLSA-N 485.563 5.214 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c(Cl)c1 1823899224 RUFKXWWLTVWDLH-QHCPKHFHSA-N 488.390 5.551 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccc(C)cc2)CC1 1823948034 TWYIWUAPCLGBHW-CLJLJLNGSA-N 452.639 5.152 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1824142296 MZWMDBSMZZUJKI-HSZRJFAPSA-N 451.636 5.298 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1824540797 PAMQRTMSJOATEW-UKILVPOCSA-N 483.653 5.075 30 20 JKED Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1 1824862856 HJYOXOTVUBVBLD-MUUNZHRXSA-N 471.645 5.052 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCOc3ccc(Cl)cc3)CC2)cc1 1824989162 ADTWOZVYDVILBR-SANMLTNESA-N 494.035 5.304 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)F)no2)CC1)c1ccccc1 1827260623 PUMBALWNAYJYCN-FYYLOGMGSA-N 483.559 5.043 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)CC1 1827379710 DRUYDOJSWSHEDN-MHZLTWQESA-N 482.628 5.267 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc3c2CCCO3)CC1 1827384368 BOYOVJLOPZEQII-REWPJTCUSA-N 456.652 5.075 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)CC1 1827731350 NTMZOTXQSDPWEB-HSZRJFAPSA-N 494.705 5.739 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCCO4)CC2)c1 1828448241 QAKOFLFTIBXBJL-SKCUWOTOSA-N 499.655 5.115 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1828827051 QRZDWYDFLCCBTQ-IXCJQBJRSA-N 471.645 5.750 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1829601305 NLRVYPJBUSPYLN-MUUNZHRXSA-N 494.639 5.334 30 20 JKED Cc1snc2sc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)cc12 1830013313 XGJDTFIKLZLKFG-NRFANRHFSA-N 478.643 5.085 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(F)c2F)CC1 1830083218 PMLRCGVQIUGWPL-HSZRJFAPSA-N 474.668 5.249 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830534008 RIUTVCIOBGSKJP-IBGZPJMESA-N 476.461 5.289 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3ccc(O)cc3Cl)CC2)c1 1830717422 MBMPZRGFKAKHOE-UPXASZCJSA-N 495.982 5.003 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)c1 1830767466 CRGUBNREKGZVLR-VWLOTQADSA-N 475.633 5.613 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)CC2)c1 1830888159 MJVKIZDTYKTKIP-MHECFPHRSA-N 474.630 5.404 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830980406 NUTWEYAWDSHMAD-SQHAQQRYSA-N 499.655 6.430 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Br)cc3c2)CC1 1831375577 ANANTVUOLVSMPN-UUOWRZLLSA-N 498.465 5.443 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3scnc3C3CC3)CC2)c1 1832633262 AGMCOUZQIXQPLU-JPYJTQIMSA-N 476.646 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2OC(F)F)CC1 1832674881 UCOBJRWZLPEYCP-IRLDBZIGSA-N 460.565 5.290 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(Cl)c3C)CC2)CC1 1836583113 VTFPEFXCPMAVRU-JOCHJYFZSA-N 459.030 5.029 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(C)snc4s3)CC2)CC1 1838027272 VRHZSKAUBASQKD-FQEVSTJZSA-N 487.691 5.047 30 20 JKED O=C(CCCC(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C1 1844696501 OUAZTMMSUAOYHS-UHFFFAOYSA-N 474.804 5.048 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccccc4)c(F)c2)C3)c1 1846828799 RONGXKYGFDOCFY-HXUWFJFHSA-N 467.544 5.251 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)n(-c2ccccc2)c1C 10096002 GOQFQSJFCSMZCA-UHFFFAOYSA-N 463.950 5.400 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(Cc3ccccc3)cc2)c(C)c1 10168543 GLEYTNXKLNGLJQ-UHFFFAOYSA-O 492.089 6.948 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10170872 PCIFHWJFKWUQPD-UHFFFAOYSA-O 451.615 6.178 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cccc(Cl)c2)cc1 10830390 LBOCLLNGSAFZQW-UHFFFAOYSA-O 464.825 6.548 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 15248146 WLMQSKDUIGUBBM-UHFFFAOYSA-O 487.567 6.827 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1=S 16874075 KUXUDFHCYVUIDB-NRFANRHFSA-N 454.571 5.218 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2-c2ccc(C)cc2)cc1 17143643 BSDHMRFTESKEND-UHFFFAOYSA-N 453.571 5.348 30 20 JKED CCc1sc(-c2nnc(CSc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)o2)cc1C 24348232 DJBYCFOQVUFPBL-UHFFFAOYSA-N 476.587 5.062 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 29201207 GOFYZVZVTNTMLJ-UHFFFAOYSA-N 458.349 5.106 30 20 JKED C=CCc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC 59813013 AQILSTNRHIAGNM-KRWDZBQOSA-N 462.521 5.315 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c2C(C)C)cc1 107806802 WVGVMLGIAFUYAP-UHFFFAOYSA-N 451.530 5.924 30 20 JKED Cc1ccc([C@H](CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)N2CCCC2)cc1 195745192 PZQFTZSFQAKRDC-SANMLTNESA-N 498.652 5.164 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 255943076 FAVXDOZYEXPTKJ-UHFFFAOYSA-N 496.661 6.118 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1 303003869 ZAAZNFPPRHDBQO-UHFFFAOYSA-N 494.620 5.790 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(C)C2CCCC2)c1 482416790 VTRJDMSQFXHAIR-UHFFFAOYSA-N 466.525 5.101 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(-c3ccccc3)o2)c1 489810892 SJBSOMDXEXKIBB-UHFFFAOYSA-N 467.550 5.479 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 490649298 NTYMDJMAJKCDTP-HSZRJFAPSA-N 477.973 5.427 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccco1 499319340 LEESCMCGGMQWTF-SAJDGTNDSA-N 461.591 5.332 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)ccc1OC(F)F 503290888 MEZPECPNXKLUKH-UHFFFAOYSA-N 479.483 6.157 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 507893579 MYCRUZDFDMVKDU-UHFFFAOYSA-N 457.493 5.851 30 20 JKED C=CCOc1c(Br)cc(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1OC 508329435 RFYBARSWCJFUHG-UHFFFAOYSA-N 468.775 5.127 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1F 509905692 RCZDTDFMBBJXAR-RUZDIDTESA-N 469.520 5.115 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 510249980 BYAPMCJQXYVMTJ-UHFFFAOYSA-N 487.375 5.621 30 20 JKED C[C@H](NC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1cccc(C(F)(F)F)c1 510462434 PPIUEFLGZYRDEF-LBPRGKRZSA-N 452.370 6.005 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 511687146 NTWUQNYHWFWSJK-UHFFFAOYSA-N 485.237 5.116 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccn2)C(C)C)c1 516133139 SPCRFHYKHKDUNO-UHFFFAOYSA-N 484.021 5.167 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 518166462 OXVCNDMIICBOBS-OAHLLOKOSA-N 459.497 5.465 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)c1 518232674 TURHRNUIJZSRPQ-JYFHCDHNSA-N 473.529 5.019 30 20 JKED CC(C)Oc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 518461401 SRZMQBXTIJGPQS-KRWDZBQOSA-N 477.948 5.607 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 518752171 IABLQVRPWKLTPW-VWLOTQADSA-N 492.044 5.307 30 20 JKED COc1cc(CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C2CC2)ccc1OC(F)F 520854236 IKUZMUQSPXELAO-OAHLLOKOSA-N 461.534 5.745 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1Cl 521768327 CZEUZXPZVRSOAX-INIZCTEOSA-N 466.781 5.009 30 20 JKED C[C@H](Nc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1Cl)c1ccccc1 522117989 AJQVYQQCFFSELT-SFHVURJKSA-N 482.005 5.843 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)s2)cc1OC 524388204 PLDVVNPIFCJYNV-UHFFFAOYSA-N 485.565 5.839 30 20 JKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524432250 WWNVEKLWVJVLRE-XMMPIXPASA-N 475.976 5.729 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(COCc2ccco2)c1 524441183 XLKSODALOCKODQ-UHFFFAOYSA-N 481.552 6.077 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)cc1 524572493 BQQVXTIMCUSHCG-GOSISDBHSA-N 480.659 5.187 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 556421397 BTHKEEXUEHZCRT-UHFFFAOYSA-N 480.499 5.191 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)s1 557739276 WQHUUBSBNFHFGD-HXUWFJFHSA-N 491.682 6.494 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1 560585797 WILBNQSBTQYFQK-UHFFFAOYSA-N 485.968 6.061 30 20 JKED N#CCCN(CCC#N)CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 584670703 MHCBWLATMJMEJM-UHFFFAOYSA-N 463.994 5.126 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 588697248 XVEXDJIYZXHXNF-KBXCAEBGSA-N 465.402 5.120 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)nnc1-c1ccccc1F 590450205 LZAXUIHPKQWIFW-UHFFFAOYSA-N 486.619 5.090 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 603765438 YZFJICFAAJVTSJ-UHFFFAOYSA-N 463.562 6.523 30 20 JKED Cc1nc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)sc1SCC#N 603775736 IJFFRZFIJVTYPJ-UHFFFAOYSA-N 451.602 5.293 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1C 603900949 LAJLGPDAQAJEGU-UHFFFAOYSA-N 479.609 5.861 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)o1 603963313 IREBNSKKPRSRAK-OAQYLSRUSA-N 499.445 5.119 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)c1C 604004037 WQZGNTKOJNRSMP-UHFFFAOYSA-N 494.551 5.255 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 604128413 YXRGZOFLJJASNU-UHFFFAOYSA-N 499.493 5.280 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 604363879 ZIGYQCVHBNXQKG-UHFFFAOYSA-N 476.536 5.494 30 20 JKED Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 608995356 LOFYIZIFCBSFAA-UHFFFAOYSA-N 478.936 5.332 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2Cl)c1 609062903 JKEXJEMHNZHUAM-WSQGFLFRSA-N 450.966 5.451 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2F)c1 609110657 NYGKBVKKCZTCRI-NRFANRHFSA-N 472.520 5.159 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1Cl 609163513 OECVATBPMJTOQR-FQEVSTJZSA-N 471.866 5.383 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 609358756 SYXXAZPGRYOYFU-UHFFFAOYSA-N 479.378 5.311 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN(C)C1CCCCC1 609436625 QIRBICFIJBMJLZ-FQEVSTJZSA-N 450.652 6.167 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1n[nH]c(-c2ccccc2Br)n1 609600287 XJFNZXRCFSQMHC-UHFFFAOYSA-N 476.359 5.509 30 20 JKED COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 618045038 ZAEXYUOOMNTOHN-UHFFFAOYSA-N 480.318 5.118 30 20 JKED N#C[C@H](C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1nc(-c2c(F)cccc2F)cs1 620304407 ZBJUBNSPSCVCPR-LJQANCHMSA-N 499.498 5.375 30 20 JKED COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1OC 642281339 BMAFQVXOAIPZBA-AWEZNQCLSA-N 463.342 5.633 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 684254620 BTIHDIPQVOCZQU-HHHXNRCGSA-N 485.657 5.690 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCCC2)cn1 726116506 FOPMNHZRRCYKGM-QGZVFWFLSA-N 480.421 5.113 30 20 JKED COc1cccc2c1OCC(C(=O)C(c1nc3ccccc3s1)c1nc3ccccc3s1)=C2 726318810 RDEPNAOTHGSLBX-UHFFFAOYSA-N 470.575 6.092 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726320497 YLYLBJQPAAOZKP-GOSISDBHSA-N 471.504 5.915 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 726716750 PJQLTTFVRKWJBX-CQSZACIVSA-N 496.725 5.914 30 20 JKED COc1ccc(-c2cc3nc(/C(Cl)=C\c4cccc(OCCCC#N)c4)[nH]c(=O)c3s2)cc1 726743863 RUIQGZITNCPKEB-XSFVSMFZSA-N 477.973 6.080 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)c(C)c2)c1C 727252984 WACILOIEZYTDST-DEOSSOPVSA-N 489.645 5.297 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(SC(F)F)c2)c1 727414345 KQPJKGIHRCTVNL-UHFFFAOYSA-N 469.538 5.856 30 20 JKED N#CCOc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)cc1 727678386 DEWYHFXTQDTFJH-UHFFFAOYSA-N 462.958 6.211 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)NCCc1cccs1 727814883 RYLFUXGSBOHANF-UHFFFAOYSA-O 480.679 5.048 30 20 JKED N#CCOc1ccc(CNC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)cc1 727941777 DZBKWBRQYKONEZ-UHFFFAOYSA-N 469.463 5.742 30 20 JKED C[C@@H](OC(=O)c1ccccc1Oc1cccnc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 728099415 RHBVZEMODIMMHI-MRXNPFEDSA-N 461.543 5.260 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 728776226 NAKKTEAVONENTB-LJQANCHMSA-N 492.498 5.499 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3cc4ccccc4n3CC#N)cc2C(F)(F)F)C[C@@H](C)O1 729374710 WAXGVJBVEGDXMS-IYBDPMFKSA-N 456.468 5.050 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 729631759 LPQDFCNNHBJEQK-OAQYLSRUSA-N 452.555 5.094 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 729890253 XDIGIGOHTHYXML-GFCCVEGCSA-N 453.734 5.831 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 729891322 ZSCCMXIXXYLLKM-NRFANRHFSA-N 461.525 5.674 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cccs2)C1=O)Nc1cnccn1 730727835 WQNHYPNYQBKGKA-QFIPXVFZSA-N 499.621 5.366 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1C 730942136 GEDIDGJYJRZFBQ-GBXCKJPGSA-N 472.614 5.098 30 20 JKED Cc1cccc(-c2nc(CC(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)cs2)c1 731068604 CCBOHFJIHOFBEE-QGZVFWFLSA-N 465.600 5.095 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1F 731306801 BWUTTZDRMSECKO-NYHFZMIOSA-N 499.539 5.245 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1ccccn1 731307226 DKWFZGBJAMZWIW-UZUQRXQVSA-N 474.586 5.071 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cc(C)ccc1F 743524117 HEZDMWCIZQGPAC-SFHVURJKSA-N 477.533 5.042 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 750690577 MYINNWLKYGUAAE-FNZWTVRRSA-N 467.573 5.091 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)cc1 750698995 XYKUWBDYYXCNAG-HSZRJFAPSA-N 478.346 5.718 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2F)cc(Br)c1OC(F)F 750922285 LGPJQFDGLBJWEP-UHFFFAOYSA-N 487.301 5.018 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 751082658 DYNDYBITECTHSX-JYPDZDFGSA-N 457.618 5.926 30 20 JKED C(=Nn1cnc2ccccc21)c1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnc3ccccc32)o1 812454259 CXEBXSCRZRFRHV-UHFFFAOYSA-N 496.534 5.596 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(C3CC3)CC2)cc1 837367095 GHHGVXVEPDLPJL-RUZDIDTESA-N 490.673 5.397 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837468515 PTFDVJOURGNHPW-HXOBKFHXSA-N 494.567 5.698 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3ccccn3)C2=O)c1 837712819 DBRDCMPTVGRFDJ-KSFYIVLOSA-N 495.004 5.465 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2c(-c3ccccc3)[nH]c3ccccc23)c(OC)c1 839403216 IPHFXNHWSHLRCV-UHFFFAOYSA-N 455.543 5.282 30 20 JKED FC(F)(F)CCc1noc(-c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)n1 904866632 UUKIKMXIEVAEOI-UHFFFAOYSA-N 479.690 5.503 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC(C)C)c1 913119435 NITKGCHUJJUUOF-NRFANRHFSA-N 487.025 5.223 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCC(C)C)c1 914556147 VJKDHZMFIRACRQ-DEOSSOPVSA-N 494.661 5.658 30 20 JKED CCCCCn1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2c1=O 915086644 MCTPESSORYFFSE-VWLOTQADSA-N 450.542 5.494 30 20 JKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 915104054 JDSVPCPBZVNSCD-JQWIXIFHSA-N 468.685 5.491 30 20 JKED COc1c(Br)cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1Br 915983560 MKCJKOJWBFVHKZ-OQLLNIDSSA-N 496.224 5.729 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(Cl)cc1 916211162 KZKGUFARZMHIRY-QGZVFWFLSA-N 478.799 5.249 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CCCC3 916288804 WAMMOLOLHNROBN-UHFFFAOYSA-N 480.933 5.573 30 20 JKED Cc1ccccc1-c1nnc(S)n1N=Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 916342194 XXYAKLBDIYEKFD-UHFFFAOYSA-N 482.396 5.984 30 20 JKED CCOC(=O)c1ccc(-c2ccc(C=Nn3cnnc3SCc3ccc(Cl)cc3)o2)cc1 916546569 YZPIILUKQWOKOG-UHFFFAOYSA-N 466.950 5.543 30 20 JKED Cc1ccc(N(CCC(=O)[C@@H](C#N)c2ccc3ccccc3n2)S(=O)(=O)c2ccc(C)cc2)cc1 916848400 AMVORUYMKWPUSE-VWLOTQADSA-N 483.593 5.314 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 916904750 ILDBACQMNGAQOJ-QHCPKHFHSA-N 489.019 5.881 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1Oc1ccccc1 916904884 JYVAOGXIDGDEOU-NRFANRHFSA-N 487.968 6.146 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1 916915131 DPAQBHXPDKKQPK-HSZRJFAPSA-N 450.494 5.389 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2=Cc3cc(Br)ccc3OC2)cc1 916948442 GSJZGSPRANOWIN-VBKZILBWSA-N 453.336 5.086 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c(SC(F)F)nc4ccccc43)n2)cc1 916971663 CYBCSRZLISKDQU-OAHLLOKOSA-N 454.527 5.659 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccc(Cl)cc2)cs1 916976419 OAFANHIUMRTRIQ-IBGZPJMESA-N 465.962 5.384 30 20 JKED CC(C)C(=O)Nc1nc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 916997267 UPLDDSVKZYFPLK-CQSZACIVSA-N 479.414 5.587 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cnn(-c3ccc(Br)cc3)c2)S1 917145621 UAOHTOIBNFOAQU-VCHYOVAHSA-N 453.365 5.143 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C(F)(F)F)c1 917655483 LKYRQRLFPFGVLS-IBGZPJMESA-N 479.524 5.011 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cccc(C)n3)C2=O)cc1 917695736 BTWKDRJGZFYXAY-JOCHJYFZSA-N 480.540 5.137 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc2ccccc2c1 917702068 XJXFHQJRNSKSRC-QHCPKHFHSA-N 461.587 5.145 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918731744 CBSICWIYZNXUKL-IYBDPMFKSA-N 464.479 5.211 30 20 JKED Cc1ccc(NC(=O)[C@H](OC(=O)CCc2c(C)nn(CCC#N)c2C)c2ccccc2)cc1Cl 919253243 ZFHJEHJBSSAYCB-RUZDIDTESA-N 478.980 5.231 30 20 JKED O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3csc(-c4ccsc4)n3)cc2)cc1 920064732 YIQCNOHODACGRQ-JXMROGBWSA-N 496.591 5.267 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 920143087 TZPJEZVMAVMORJ-BJKOFHAPSA-N 476.561 5.419 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(COc4ccc(F)cc4)n3)n2)cc1 920143525 RETDYXJDGHEQIN-GOSISDBHSA-N 465.531 5.483 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OCC(F)(F)F)cc1 920279313 ZRKIDJOMQVHQCX-HXOBKFHXSA-N 453.464 6.166 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)c1=S 920304796 AUDBZYLZDOZESC-INIZCTEOSA-N 459.541 5.864 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 920461908 DXQBKUCELCTPAX-VGOFRKELSA-N 485.540 5.001 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(-n3ccnc3)cc2)C1=O)Nc1ccccc1 921138725 AIFPWMVWHWFZLZ-DEOSSOPVSA-N 499.571 5.172 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)CCC3)cc2)C1 1785806648 JFTZWQXEWCOCGP-UHFFFAOYSA-N 461.949 5.709 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4sc(C)nc4c3)CCC2)cc1 1786366041 IWIDYDMILJAJPY-UHFFFAOYSA-N 463.603 5.335 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CCCC(F)(F)F)cc2)CCC1 1786620100 KMTNCBQNHFRFTM-ZHACJKMWSA-N 464.509 5.354 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2)CCC1 1786787631 GNPQESYXTBKYMH-UHFFFAOYSA-N 475.589 5.111 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1)NC(=O)OC(C)(C)C 1786904796 XQOSKRJUWQMGLK-QFIPXVFZSA-N 495.620 5.206 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4Cl)CCC3)cc2)c(O)n1 1787173215 SFUKCXMLGFSKMC-UHFFFAOYSA-N 476.964 5.016 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CC4CCCC4)cc3)CCC2)c(C(F)(F)F)n1 1787614553 UJFYOLHLFFJQDN-UHFFFAOYSA-N 470.495 5.300 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4c(Cl)cccc4s3)C[C@@H]21 1788735458 NQEOTCPDSNVMPM-QRFRQXIXSA-N 475.054 5.140 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CCC1 1789077355 DEMJQBUKSSIBNT-ZHACJKMWSA-N 471.538 5.076 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)/C=C/C(=O)c5cccs5)CCC4)cc3)c2c1 1789275809 OHKHKLLRRXWGLE-VAWYXSNFSA-N 499.592 5.425 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(Cc4ccccn4)CC3)CCC2)cc1 1789453236 QKCUOYBTNHKVPQ-HHHXNRCGSA-N 486.660 5.196 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3-n3nccn3)CCC2)cc1 1789508054 HBWRGDFTFCMWEZ-UHFFFAOYSA-N 499.691 5.066 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1789515134 UFSCPDYVQJTPQJ-UXHLAJHPSA-N 490.007 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(Cc4ccccn4)CC3)CCC2)cc1 1789624290 UXXLPDIXQHPFQZ-UHFFFAOYSA-N 488.676 5.420 30 20 JKED CC(C)n1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)n1 1790167509 ZZZWHUIDZXBSOR-UHFFFAOYSA-N 461.953 5.051 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CC[C@@H]4CCOC4)CCC3)cc2)cc(C(F)(F)F)c1 1790787224 BJFXICWONIHWLE-QGZVFWFLSA-N 485.506 5.141 30 20 JKED COc1ccc(C(=O)CCC(=O)NC2(c3ccc(NC(=O)c4cc(C)cc(C#N)c4)cc3)CCC2)cc1 1790796909 WQNQUAQCTWJYHT-UHFFFAOYSA-N 495.579 5.286 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CCC2)cc1 1791254213 MJKHJLVAPJVPFD-CECLQJIQSA-N 478.589 5.072 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc3)CCC2)C1 1791515251 AGPQSYFJFJNELM-JOCHJYFZSA-N 469.626 5.026 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](CNC(=O)OC(C)(C)C)Cc3ccccc3)CCC2)cc1 1791589739 SPWOFXHPWWFZNP-QFIPXVFZSA-N 491.632 5.080 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CCC2)cc1 1791730428 IVDLEVFIDNSBOO-LFIBNONCSA-N 490.600 5.053 30 20 JKED COc1cccc(-c2cc(C(=O)NC3(c4ccc(NC(=O)C5(C#N)CCC5)cc4)CCC3)c[nH]2)c1 1792227717 PWURMZJHDQQNPI-UHFFFAOYSA-N 468.557 5.132 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC(F)(F)CC1)c1ccc(C#Cc2ccccc2)cc1 1793343813 UNLCHMRCWMDQSE-OOSCYNTBSA-N 476.567 5.164 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)cc1Cl 1799305055 AWMPCVFYDGEMHY-REPLKXPHSA-N 486.399 5.218 30 20 JKED CO[C@@](C)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2)c1cccc2ccccc12 1799858008 GZFQARJHTPXBHK-NKPQNLRGSA-N 495.623 5.280 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(F)CCCCC1(F)F)C2 1800405316 AKNFXFKTZCANEV-IGMJJTELSA-N 480.424 5.014 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)/C(C)=C/c3ccc(OC)cc3)CC2)C1 1805458225 BMRISXWUXQXEFY-LSDHQDQOSA-N 450.623 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(s2)CCC3)[C@@H]1c1cccnc1 1806061603 ZOVABLKHZICKHA-NVQXNPDNSA-N 493.749 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c(-c4ccccc4)noc3C)C2)CC1 1808046796 YGQGUUQRWCHYQS-UHFFFAOYSA-N 463.622 5.487 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)cccc3[nH]2)[C@H]1c1cccnc1 1809795020 XADYGXDEDIHWAL-SQJMNOBHSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810075151 KBDBRKMKBNQUBN-DVECYGJZSA-N 479.024 5.528 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3cnccc23)[C@H]1c1cccnc1 1810274084 ZUDQBVGXQTWDGR-CUBQBAPOSA-N 498.703 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1810440175 GQCQJNAAMZZUPM-OZNIXHKMSA-N 469.629 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810504077 WMLYVSMBGAUAFD-KAYWLYCHSA-N 482.628 5.456 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c1 1813869388 FURRABGIOKUQTR-BHAWFMJASA-N 492.623 5.221 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)cc1 1814379282 MQBZPFCVOFUKNG-QFIPXVFZSA-N 495.505 5.239 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815653790 MFQCXOMBKDIVJX-LJQANCHMSA-N 485.009 5.548 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c(O)n1 1816239402 CVQKSIBTXPLMOC-OAQYLSRUSA-N 497.958 5.041 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1816464536 IUFRGSJQAFZWBZ-GAJHUEQPSA-N 487.604 5.855 30 20 JKED Cc1scc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1C 1816615874 RWAXFGZTJIIUIL-IVZQSRNASA-N 461.591 5.335 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1 1816827701 SSRBSPHYVDUKFL-RUZDIDTESA-N 481.531 5.122 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)nc2ccccc12 1818654066 WHHKSXSYQZJXFI-SANMLTNESA-N 492.583 5.077 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818811108 YGHLDVZAZBCRJQ-SDQWYYNMSA-N 493.567 5.366 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1819303004 PWFUZCPIFHRCSO-JTHBVZDNSA-N 485.028 5.683 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)[nH]n1 1819307653 KDWHEJZKTKTHND-JXFKEZNVSA-N 460.500 5.503 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)[nH]n1 1819556027 PFDBTOSEZFHATK-GOSISDBHSA-N 468.989 5.238 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1820656238 SCCRALZLVSNERN-ZHRRBRCNSA-N 491.979 5.318 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)[nH]n1 1820977746 WYEAFFPLNXGFII-NLFFAJNJSA-N 489.620 5.297 30 20 JKED COc1c(C)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1C 1821227688 CPUYMJWWNIKQID-DVECYGJZSA-N 485.588 5.282 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)[nH]n2)c(Cl)c1 1821277359 XCCWXTKAXITCPG-JOCHJYFZSA-N 490.926 5.175 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3cccc(Br)c3)cc2)n[nH]1 1821361174 SBYQEQPOAXEOJL-OAQYLSRUSA-N 492.377 5.059 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)cc3cc[nH]c23)[nH]n1 1821921783 UUMZOYSAFLFQMT-IFXJQAMLSA-N 484.398 5.172 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)Cc3cccc(Br)c3)n[nH]2)C1 1822247673 KJDXSLKFDSSFNN-IERDGZPVSA-N 485.426 5.009 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CCC3)n[nH]2)cc1 1822315087 IQGMNTZRYGPIGX-VWLOTQADSA-N 481.600 5.028 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[nH]n1 1822400941 XCWMXRDEJJSPEK-AWEZNQCLSA-N 458.843 5.103 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(-c4ncc[nH]4)cc3)[nH]n2)c1 1823215762 COIWYCIVRIJHPT-KOSHJBKYSA-N 493.571 5.047 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)CC2)cc1C#N 1823782724 QDKYCTNQDXVDBX-MHZLTWQESA-N 499.655 5.311 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1823916421 QRGGTFHEWYZKDO-RUZDIDTESA-N 481.999 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 1824891350 PGWWBJIAWQQFLZ-MPFGFTFXSA-N 491.720 5.287 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C(F)(F)F)CCC3)CC2)c(Cl)c1 1826763326 OZGDVPMSRWHHCV-FQEVSTJZSA-N 481.946 5.178 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1)C(F)(F)F 1827353093 GFTCAIAEMCRYOX-JOCHJYFZSA-N 489.513 5.240 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c(Cl)c1 1827413234 HFTVEQFTCLINAT-NRFANRHFSA-N 482.005 5.566 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(OC)ccc3o2)CC1 1828827969 APOBDTWESVWCGO-BJKOFHAPSA-N 464.606 5.443 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1828829719 GSFVDMMIEQWAQH-DENIHFKCSA-N 469.029 5.218 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CSC2CCCC2)CC1 1828903702 KQAKKJVHTJTSNI-DEOSSOPVSA-N 476.803 5.333 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)cc1 1828999577 XILNPISDQZDMHU-AOYMVWLXSA-N 497.639 5.607 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1)c1ccccc1 1829034691 CJDVNOGEYKNRQW-FQLXRVMXSA-N 499.655 5.076 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829699039 ULUPYOCZTCHHBB-OAQYLSRUSA-N 461.027 5.239 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1829974695 YUVVSHBLCWUXQF-DEOSSOPVSA-N 484.427 5.341 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1830417666 GRTWTVGASNICME-FDDCHVKYSA-N 496.479 5.347 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831376546 PUXAPEIMAMGUKJ-KDYSTLNUSA-N 473.617 5.007 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831844813 XIUWVRRETITTJS-LERMDLETSA-N 488.097 5.179 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1)c1ccc(O)cc1 1831927178 OJFPKTVNNBZDHQ-JQJNFUIISA-N 499.655 5.007 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633522 JJVPRSOHLVARQT-WXVAWEFUSA-N 487.644 5.486 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c(F)cccc3F)CC2)c1 1832633940 PJGLKGSNXXWUEH-BCHFMIIMSA-N 479.571 5.068 30 20 JKED O=C(c1ccoc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)C1 1844696881 JIXSECNSSZMNNG-UHFFFAOYSA-N 498.782 5.241 30 20 JKED Cc1c(Cl)cccc1-n1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccncc1 10318285 URNVQIYTJLQCDY-UHFFFAOYSA-N 481.025 5.068 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)c1C 11113847 NDWXPFUQJGBOFU-UHFFFAOYSA-O 490.577 5.071 30 20 JKED C=CCn1c(SCCCc2nc(-c3ccncc3)no2)nnc1-c1ccc(C(C)(C)C)cc1 14729495 OXLBBHLGDWRNHO-UHFFFAOYSA-N 460.607 5.599 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c1 15223725 AHOOGFLKCNPFLY-UHFFFAOYSA-N 482.613 5.294 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccccc1)c1ccc(-c2ccccc2)cc1 15247923 YFMLCIIJEVWPBZ-UHFFFAOYSA-O 478.424 6.999 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15248103 PMJGBXHOCXOBLY-UHFFFAOYSA-O 474.433 6.293 30 20 JKED C=CCN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1nc2c(s1)CCCC2 15969123 AKZFKUWCYGDLFS-OALUTQOASA-N 467.635 5.023 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3cccc(Br)c3)o2)sc2c1CCCCC2 21322659 IUOUHKCGNVUWAF-UHFFFAOYSA-N 489.420 5.432 30 20 JKED COc1ccccc1-n1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1cccs1 21681224 MMHBEIOLWAYLDF-GOSISDBHSA-N 489.626 5.432 30 20 JKED COc1cccc(Nc2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)s2)c1 22362039 JTLHHFAPOHBPMX-MRXNPFEDSA-N 453.593 5.026 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2cccc(CO)c2)c(Cl)c1 22732753 YHQRZMIGQJFBRL-UHFFFAOYSA-O 461.941 5.066 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 23998677 OOWQDHCBWMXIJM-GOSISDBHSA-N 477.634 5.216 30 20 JKED CC(C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc2cc(Cl)ccc2c1=O 24466862 GOKGZSCYFUDHMB-INIZCTEOSA-N 454.983 5.058 30 20 JKED C=CCN(C(=O)Cc1csc(N2CCCC2=O)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769983 MDMIMSKDRQSDPU-UHFFFAOYSA-N 493.441 5.462 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nnc1C1CC1 36799981 VSVKOLBCSWXIQQ-IBGZPJMESA-N 469.954 5.375 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 72025329 LEJPNNWJNFQSQE-UHFFFAOYSA-N 457.917 6.539 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 97542534 NBSGZUXSQIEVCF-UHFFFAOYSA-N 495.436 5.437 30 20 JKED COc1cc(/C=C2/CC(C)C/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC 169620289 MJDXFEMLLSXKAL-PZRYXVKFSA-N 468.546 5.204 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)c1 302926075 ALIVNDCAZHVGEN-UHFFFAOYSA-N 477.524 5.674 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1Cl 303392701 PAMJDNNXKVWOLJ-QPPBQGQZSA-N 457.961 5.486 30 20 JKED C=CCN(C(=O)[C@H](C)Oc1cccc(C(C)C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 410140787 SERMKHOTVKEVSA-SFHVURJKSA-N 484.643 5.324 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCOc3ccc(Cl)c(Cl)c3)s2)cc1 491525934 QOHOVZHOAVKYCS-UHFFFAOYSA-N 465.387 5.416 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)cc1 498277534 SQBCHAYBMFSKKB-UHFFFAOYSA-N 471.003 5.821 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 500511021 PICGSPLLVXFHRE-UHFFFAOYSA-N 495.608 5.022 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)o2)cc1 500768833 JAHDTDQAEHJYCP-UHFFFAOYSA-N 453.498 5.894 30 20 JKED Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 502620986 ZIRZDJMPVJXBOH-UHFFFAOYSA-N 479.334 5.182 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2I)cc1 507909530 RPHFXTFHCIBOCW-UHFFFAOYSA-N 458.230 5.347 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 510008136 ZFNZDPYGXWQWGQ-ISKFKSNPSA-N 473.939 5.779 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511314722 LBZSBBYWKQMXQN-FQEVSTJZSA-N 470.573 5.638 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3oc(C4CC4)nc3c2)nnc1-c1ccc(Cl)cc1 512338620 ZJKDWEYAGBCIEJ-UHFFFAOYSA-N 465.966 5.534 30 20 JKED N#C[C@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cn1 513173521 ZMYOOJWJRSANMN-INIZCTEOSA-N 461.783 5.944 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1ccccc1Br)c1ccc(C(F)(F)F)cn1 513186490 JKVNAVZBRAVWQL-KRWDZBQOSA-N 475.264 5.932 30 20 JKED Cc1nn(Cc2ccc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)c(C)c1[N+](=O)[O-] 513299644 FMOFTISORSWSKI-KRWDZBQOSA-N 493.495 5.348 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 513686505 AHNVHMGLTDCYQA-MRXNPFEDSA-N 460.584 5.122 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 513952071 RRFOCEAAJRITDB-UHFFFAOYSA-N 484.556 6.245 30 20 JKED Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(Br)c1 513963786 XBLFTTLEEKARAC-UHFFFAOYSA-N 452.327 6.003 30 20 JKED CCc1cccc(Cc2cnc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)s2)c1 515426633 ONOPXPLCEHQZFF-UHFFFAOYSA-N 487.585 5.271 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)c2)cc1 517128422 WUOSMKWLROONKZ-UHFFFAOYSA-N 484.600 5.243 30 20 JKED N#Cc1ccc(Oc2cccc(NCC(=O)Nc3ccccc3I)c2)cc1 517168732 KIYCNKLBSWBKHF-UHFFFAOYSA-N 469.282 5.006 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)cc2)c1 517511186 SIQCLDQMSVSNGL-UHFFFAOYSA-N 453.542 5.160 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1Br 517784962 GLCHABRBCRAOBN-UHFFFAOYSA-N 451.162 5.526 30 20 JKED CC(C)(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)S(=O)(=O)c1ccc(Br)cc1 519125630 SUBATQVRIYWIFH-UHFFFAOYSA-N 499.386 5.304 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 520456928 DAECNCNFKITSBI-UHFFFAOYSA-N 495.474 5.307 30 20 JKED C=CCc1cc(CNC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(OC)c1OC 522694149 FMKKKDGUCUMCDU-IBGZPJMESA-N 451.592 5.131 30 20 JKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(-c2ccccc2Cl)n1 595127250 KXYVRNKWJXVDHA-OAHLLOKOSA-N 452.942 6.197 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1 603657641 AMBWVKIDTYHNJO-UHFFFAOYSA-N 477.992 5.747 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)c1C 603900994 VLCVWLBTLHXKHB-UHFFFAOYSA-N 486.572 5.181 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)c2)cc1 603921377 VPCXBVWKOLYFNS-LJAQVGFWSA-N 489.575 5.311 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1OC 603969467 YMPZSWSIMAQEGW-UHFFFAOYSA-N 457.349 5.709 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604241929 XPAVJNQHWXJDHF-UHFFFAOYSA-N 457.921 5.513 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 604438252 RUEHAKHSSBRNOT-UHFFFAOYSA-N 462.534 6.162 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1Cl 609004907 SPVBAPNAZSRNJX-JOCHJYFZSA-N 478.379 5.435 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 609063924 FNOJRAWOMQQCKD-IBGZPJMESA-N 459.571 5.145 30 20 JKED Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)NCc4ccc(C#N)cc4F)sc3[nH]2)c1 609232002 TYALOXCKWDLTIF-UHFFFAOYSA-N 492.601 5.143 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 609375330 JBKWUNPZCRCDLP-UHFFFAOYSA-N 480.553 5.393 30 20 JKED CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 609377286 BFXGMGYLXXOSCL-LJQANCHMSA-N 485.675 5.101 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCC(Cc2cccc(F)c2)CC1 612804564 QNSQSRIZRZJTTJ-HOTGVXAUSA-N 454.430 5.699 30 20 JKED CCOc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1F 615103720 PJTKOOAVEWWFMB-UHFFFAOYSA-N 461.337 5.700 30 20 JKED COc1ccc([C@H](NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c2ccc(F)cc2)cc1 619670504 WVGUVFLFIVOAGY-GPMSIDNRSA-N 478.408 5.696 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1nn(-c2ccc(F)cc2)c2c1CCC2 642157018 DSLDGKSBQMSACB-RYUDHWBXSA-N 463.397 5.139 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 642158341 QURQURSMKSUNFB-FICVDOATSA-N 491.398 5.343 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 642282700 XIYLJQMDYYLYRD-FQEVSTJZSA-N 494.523 5.137 30 20 JKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 661573995 GTTWKSPOWCRXOT-GOSISDBHSA-N 453.011 5.328 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(CC[C@@H](C)OC)C2=O)c1 726401677 UTBRPBFOKMLEFH-VFNWGFHPSA-N 490.025 5.042 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 726413622 YVNFXGQBOYKPAD-QFIPXVFZSA-N 492.988 5.087 30 20 JKED CNC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2cccc(COc3ccccc3)c2)C1=O 726418522 DNFXHKKOLUPXTI-VFYDMCDDSA-N 493.654 5.024 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S/C2=N/[C@@H](C)c2cccs2)n1 726422188 VJCGFKSVOTVSIJ-SBSKFAFYSA-N 494.642 5.050 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc2c(c1)CCO2 726570936 NXGVCWFAZIYAFM-UHFFFAOYSA-O 462.982 5.320 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 726755002 XXBZEMRUFQCOOZ-UHFFFAOYSA-N 474.362 5.001 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)cc1Cl 726888661 BBGNFGFTWCYCSY-JOCHJYFZSA-N 498.004 5.719 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 727235673 QKABBIQWIHEKRC-NEPJUHHUSA-N 452.404 5.751 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1=S 727423529 HKZFFKAYDQBCGU-NRFANRHFSA-N 474.989 5.099 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 728119030 GUMSRANRHPYTMS-UHFFFAOYSA-N 494.595 6.339 30 20 JKED CN1C/C(=C\c2csc(-c3cccs3)n2)C(=O)/C(=C/c2csc(-c3cccs3)n2)C1 728438412 WLUHMBZQTICIEV-VOMDNODZSA-N 467.666 6.038 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccccc3F)nc2C)cs1 728441121 DQTNNEUWQNGBCM-XFXZXTDPSA-N 481.549 6.434 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C(\Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)cc1 728698016 BGQTZVSSKDNVBJ-CCOVPTLTSA-N 451.910 5.818 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCn2c(S)nc3ccccc3c2=O)cc1Cl 729320510 ZNNFWCSHUOSSIK-FQEVSTJZSA-N 474.973 5.023 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 729631678 KYODBASVYNFJEA-XMMPIXPASA-N 490.604 5.813 30 20 JKED COc1cc(/C=C\C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c([N+](=O)[O-])cc1OCC(=O)O 730436424 LFEKLCDJJMNIMT-YVMONPNESA-N 488.905 5.048 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730459563 LGPKFKXTUJXONZ-LJQANCHMSA-N 495.954 6.180 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CCC2)C1=O)Nc1ccc(SC(F)F)cc1 730460255 VXVKPXGPILPQPK-GOSISDBHSA-N 461.559 5.514 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2C2CCC2)cc1 730460872 HVISLHDZTBDPSN-IBGZPJMESA-N 461.946 5.001 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3cocn3)C2=O)cc1Cl 730709541 UUEGYPWKMUTQON-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)c(C)c1 730713635 UHLXOWMRBGAIFN-YLJYHZDGSA-N 479.631 5.185 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2Cc2cocn2)c1 730718188 GTXLXWQBKVQQAE-NRFANRHFSA-N 498.992 5.060 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cocn2)C1=O)Nc1ccc2ccccc2c1 730727719 UGKDTMIGDUTUAF-VWLOTQADSA-N 496.592 5.477 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N([C@@H](C)c2cccnc2)C1=O 730942282 LJKUBKGHUUWASN-WMZHIEFXSA-N 488.613 5.429 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 730993611 COCSEYAYONOJKZ-RCRDTURJSA-N 487.385 6.384 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 730994307 JIMVWLAVMCCDBI-NSHDSACASA-N 465.825 6.821 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CCc1ccc(Cl)c(Cl)c1 731077810 PLEJBQHETBADGG-CQSZACIVSA-N 451.375 5.360 30 20 JKED Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@H](C)C#N)c(F)c2)cc1 731078868 RDIRLFBZNGGYOR-GOSISDBHSA-N 462.546 5.848 30 20 JKED COc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccccc1 731128995 GBNDTTCCBSJVSM-IXCJQBJRSA-N 475.548 5.195 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cc(Cl)sc2Cl)cs1)c1ccc(F)cc1F 744865796 LMOSCDJCSUMKQA-HYXAFXHYSA-N 459.326 6.370 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O 745161905 IYNPQDGNJOZAMT-UHFFFAOYSA-N 485.385 5.343 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(COc2ccccc2Cl)n(C2CC2)c1=S 745162480 OCGJFMZUUDWQBG-UHFFFAOYSA-N 466.010 5.499 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2C)n(Cc2ccco2)c1=S 746050498 MHRPKHAUMKXPQV-UHFFFAOYSA-N 473.602 5.009 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCCOC2CCCC2)C1=O 747041913 CVTFSCLKAYXCBH-QHCPKHFHSA-N 499.608 5.144 30 20 JKED COc1cc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)ccc1OCC#N 747154565 HLHNJZAXXXSIFF-QNGOZBTKSA-N 474.944 5.773 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCNC(=O)c2cccc(Br)c2)cc1 750692105 VYZLMIUVPXCTHC-QHCPKHFHSA-N 491.389 5.046 30 20 JKED N#CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)c1ccccc1 765461726 BKLYHZSCIGGFDC-ZPHPHTNESA-N 463.493 5.028 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3cccs3)C2=O)cc1OC 837855510 GVWVRAFYUDELPS-JOCHJYFZSA-N 495.626 5.234 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccs1 838519419 LRJFLRNLVNOGLC-FQEVSTJZSA-N 487.553 5.195 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc12 852985581 MYESPGMSWCXNLL-GOSISDBHSA-N 490.560 5.086 30 20 JKED CC(C)N(C)Cc1cc(O[C@@H]2CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)C2)ccn1 856561220 NMLNUWNGYSIAIS-GDLZYMKVSA-N 470.617 5.026 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1Cl 875799877 ZFBCSVPOGFMADR-UHFFFAOYSA-N 494.922 5.992 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(NC(C)=O)c3)N(CCCC(C)C)C2=O)c1 914555784 LXKWYSJXVNEKSW-HSZRJFAPSA-N 496.633 5.050 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc12 915087014 ZEXCATUZFIICRK-IBGZPJMESA-N 460.331 5.847 30 20 JKED N#C[C@H](C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102974 MFXVYDBRCPHTSL-QQYMGJJXSA-N 464.616 5.531 30 20 JKED Cc1ccc(-c2noc(CN3CCN(C(=O)Nc4ccc([C@@H](C#N)c5ccccc5)cc4)CC3)n2)cc1 915354232 XUOIGDJLHRRVCR-SANMLTNESA-N 492.583 5.050 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1Cl 916210703 HAEVLKKKBZYAGT-MAUKXSAKSA-N 478.401 5.133 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CCCC2)C1=O 916211381 NJLOAXLHKAYEAR-FQEVSTJZSA-N 489.544 5.200 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1F 916217502 OKFRBKWVUXIBOU-WZONZLPQSA-N 477.561 5.118 30 20 JKED CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916684288 WSFVDGWHNRTVLZ-DEOSSOPVSA-N 455.949 5.845 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2C#N)cc1 916899582 JSJZCSZRMJYCBI-NRFANRHFSA-N 473.916 5.069 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2cccc(Cl)c2)n1 916903682 VPTJBQBKKIDBGS-CQSZACIVSA-N 460.342 5.395 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 916926237 WHBALNCTWYZZHT-INIZCTEOSA-N 473.476 5.497 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cs1 916944808 NPUZMPWWTVFPAS-IBGZPJMESA-N 460.342 5.299 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c(C)nc4c5ccccc5nn4c3C)n2)cc1 916971934 GAFCWXCGFSTTAU-QFIPXVFZSA-N 465.582 5.740 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)n2)cc1 916975330 XQNLSZRARVUARE-PZJWPPBQSA-N 484.408 5.906 30 20 JKED Cc1ccc(CN2C[C@H](C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 916997584 XEPWLQPPYWAMKB-APWZRJJASA-N 484.408 5.650 30 20 JKED Cc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1C 917040616 MZGTWMZWRMZLCZ-MRXNPFEDSA-N 451.502 5.203 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 917518324 ZVBHHCWNKRDDDG-KAMYIIQDSA-N 461.525 5.143 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2sc3ccccc3c2C)cc1 917612473 SKRITQIIMPOFOE-UHFFFAOYSA-O 456.616 6.255 30 20 JKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3cc(Br)c(O)c(OC)c3)c(=O)oc2c1 917615486 TYCRDBKKSCDDCL-TWGQIWQCSA-N 472.335 5.012 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(Cl)cc2)n1 917678762 IAOLWSYHQQDTAD-NRFANRHFSA-N 482.968 5.343 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)o2)c(C)c1 920107817 GXJCZYJJLIIDPP-LJQANCHMSA-N 470.497 5.751 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)n2)cc1 920143912 LIZFCYLMNNQLLG-KUHUBIRLSA-N 486.380 5.355 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3cc(C)on3)C2=O)cc1Cl 920355685 LXIRBNLGQCSKRD-OAQYLSRUSA-N 498.992 5.114 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(-n3ccnc3)c(F)c2)C1=O)Nc1ccccc1 920356868 VVHLYXPRPKJQQZ-DEOSSOPVSA-N 499.571 5.172 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)N(C)C2CCCCC2)c1 922574556 NNOJAGNTLFSMJI-JOCHJYFZSA-N 489.616 5.200 30 20 JKED CC#CC[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC2CCC(C)(C)CC2)C1)c1ccccc1 1780814150 QOQOBPVCOWOARF-MMXANPLTSA-N 492.704 5.304 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cncn4-c4ccc(Cl)cc4F)CCC3)cc2)C1 1785806575 BAGAFJMSVGDRMP-UHFFFAOYSA-N 478.955 5.379 30 20 JKED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)c3sc4ccccc4c3Cl)CCC2)cc1 1785841479 RGOJVURETRXCFM-SEYXRHQNSA-N 494.016 5.161 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)(F)F)c4)cc3)CCC2)c1 1787211856 CDBPUSZJWGZMMZ-UHFFFAOYSA-N 482.437 5.173 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(OC)c3)cc2)CCC1 1788359125 WOAYWDSXVNJCPV-UHFFFAOYSA-N 487.625 5.424 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)C[C@@H]21 1788526373 IKGSLRDTPNZQMJ-JZTSUELASA-N 472.629 5.024 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3(F)CCCCC3)cc2)CCC1 1789162108 QRIGLJQTLKXSCA-WHLCRQNOSA-N 499.627 5.262 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(C)nc4ccc(O)cc34)cc2)CCC1)C(F)(F)F 1789242675 AXIIGXOCWANASK-UHFFFAOYSA-N 469.463 5.115 30 20 JKED CC(C)N1CCC(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)CC1 1789507712 OCSUUQCKBCMNCG-UHFFFAOYSA-N 481.757 5.292 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4[nH]cnc4-c4cccnc4)cc3)CCC2)c1 1790031527 LJSMNCJZOSXNRC-IBGZPJMESA-N 490.567 5.160 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC(F)(F)F)cc3Cl)cc2)CCC1 1790063870 YOHZNTMUUNGUCX-UHFFFAOYSA-N 479.886 5.333 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCn4cccc4)CCC3)cc2)c1Cl 1790084144 USFDXSYHPLDSTO-UHFFFAOYSA-N 460.965 5.241 30 20 JKED CCCOc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)ON=C(C)C)CCC3)cc2)cc1 1790337551 HPWSFJQSISSOGT-LJQANCHMSA-N 451.567 5.024 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5cc([N+](=O)[O-])ccc5s4)cc3)CCC2)CCC1 1791010453 PQEOETLZYBJUDO-UHFFFAOYSA-N 474.542 5.251 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@]34C(=O)Nc3ccccc34)cc2)CCC1 1791419004 MSQYXVNAEVLIBM-MNNSJKJDSA-N 471.601 5.023 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccccn5n4)CCC3)cc2)c1 1792123493 DNTQPFKUAJPFKG-LJQANCHMSA-N 463.541 5.023 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)nc2ccccn12 1792123598 LLRCOQLCPBMHSN-IBGZPJMESA-N 477.568 5.331 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4Cl)CCC3)cc2)c1 1792124599 ABESYXITSUJSFX-QGZVFWFLSA-N 458.949 5.424 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5[nH]4)CCC3)cc2)cc1C#N 1792168855 ZPERYPBRSVZRSI-UHFFFAOYSA-N 493.567 5.283 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc(F)c(F)c1)C2 1792571799 LLVLBWAFEPHYRK-ACDBMABISA-N 467.560 5.271 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c1Cl 1799302735 NIHWPUXBXPFQDL-ACDBMABISA-N 494.378 5.691 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NC(=O)c2ccccc2)cc1 1800269427 JNNOZHGSWPGRNL-QEIWAGNOSA-N 473.617 5.183 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@@H](CNC(=O)Cc4ccc(C#N)cc4)[C@H]3c3cccnc3)sc2c1 1802580201 IFEOCGMTTVHGJB-RBJSKKJNSA-N 494.620 5.039 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)COc3cccc4ccccc34)CC2)C1 1805451816 GRKUGGBWGPCTAU-UHFFFAOYSA-N 460.618 5.218 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)C1 1805461417 XAVOYRRAXHQZBI-MEMLXQNLSA-N 454.577 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3CCCN(Cc4ccccc4)C3)C2)CC1 1806570655 PXMJKQZZVMHZAT-SANMLTNESA-N 479.709 5.122 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809209837 OJLQIZFZDGAZQS-NDXORKPFSA-N 488.078 5.224 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1810171680 JLPXOPMCSMCFFK-WOIUINJBSA-N 480.659 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1810178688 SHMJFAUJTSRGKO-STROYTFGSA-N 459.634 5.105 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCC2)[C@@H]1c1cccnc1)c1ccccc1 1810443919 NJNJCTNJRTWENK-QNOZWJMKSA-N 469.629 5.031 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1811138812 GKNVAJSTRPVMPD-AHRSYUTCSA-N 499.986 5.028 30 20 JKED C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811402640 HSWKLORYKYAJLS-OFVILXPXSA-N 483.534 5.101 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1812301489 GBWWTAIXASVJOS-LXFBAYGMSA-N 493.607 6.069 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1812451272 OADHEIXNBFXOET-PGRDOPGGSA-N 496.385 5.238 30 20 JKED CC#C[C@H](CC(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1)c1ccc(O)cc1 1813124446 WVXGHWYHNKQQKJ-VKOGLJSISA-N 499.655 5.127 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)Cc3cccc(Br)c3)[nH]n2)C1 1814396541 HESHUOAESZVYCY-KKSFZXQISA-N 485.426 5.009 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCOc2ccc(F)cc2)n[nH]1 1814653797 CPTMQJCLAOHZOC-HSZRJFAPSA-N 498.675 5.061 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1815248838 KVXFAQDZPZMMAT-GBXCKJPGSA-N 491.617 5.411 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ncccc4c3)n[nH]2)c1Cl 1815476128 FQPVINFNBJWIGB-HSZRJFAPSA-N 498.974 5.032 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccsc2)n[nH]1 1817522381 HWMOXLWKSRHORA-OAQYLSRUSA-N 470.715 5.147 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C(F)(F)F)coc2C)n[nH]1 1818290205 WLUUPBGPWYFWEW-CRAIPNDOSA-N 464.488 5.404 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)n[nH]1 1818596871 HBXKBRCMDXADNL-QFIPXVFZSA-N 467.520 5.244 30 20 JKED Cc1csc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1 1819384566 RHCQSIHCVWWTCM-IBGZPJMESA-N 456.688 5.137 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(C(F)F)c2)[nH]n1)c1ccccc1 1819516895 OUYMXGLZVNJXPP-NFBKMPQASA-N 491.542 5.245 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)c2ccccc2n3CC)n[nH]1 1820225538 JNGVPWMLYMDHNM-XMMPIXPASA-N 455.562 5.420 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1 1820483812 HPOWVFAEROPEBZ-RUZDIDTESA-N 490.567 5.272 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3Cl)[nH]n2)cc1 1820549256 HEEZTBJFLQWKGP-QFIPXVFZSA-N 472.936 5.036 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)[nH]n2)c1 1821323800 AWAZNPSGFSSELA-RUZDIDTESA-N 490.567 5.272 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1821324097 LUVSDRDMNACKIM-VWLOTQADSA-N 463.541 5.363 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821516481 CEQINRSWNFUMNM-HXUWFJFHSA-N 451.596 5.318 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)[nH]n2)c1 1823211318 LUYCZOYFOGVFBP-BXKMTCNYSA-N 491.542 5.254 30 20 JKED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2C1 1823230106 BSWUYKMGLXCBEL-GOSISDBHSA-N 479.627 5.080 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3OC(F)F)n[nH]2)c1 1823265873 KYVIICUWIYOEOV-KKSFZXQISA-N 493.514 5.258 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 1824139579 NLNNKNZZLZOITG-WDYNHAJCSA-N 491.720 5.287 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1824141945 ATAGVRBMGLUKMU-AREMUKBSSA-N 499.659 5.331 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1824502542 NHBANDKZWDGRHW-OAQYLSRUSA-N 485.427 5.349 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)CC1 1825099904 DNQYOBLLQXIOOZ-UPVQGACJSA-N 491.598 5.421 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c[nH]2)cc1 1825425071 PDLDSRSNKJKYOF-MUUNZHRXSA-N 480.612 5.409 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825961182 QBLXDLQTMMEHHU-CTNGQTDRSA-N 466.544 5.609 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)CC1 1826682350 OGGDRSRDCWPDNI-QGZVFWFLSA-N 485.909 5.035 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1827844779 OVNNDTVZLYWDGF-OAQYLSRUSA-N 483.012 5.008 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828495139 DCCFBDSBWVDQJB-AREMUKBSSA-N 498.067 5.413 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(O)cc2Cl)CC1 1828832045 YHSFLPYWJDCAHK-RIGHGNHVSA-N 471.041 5.447 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1828907593 DVRDMZSMKIMZOT-ATIYNZHBSA-N 478.700 5.403 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 1829009813 OFJCVWNTZDAKJQ-YNZBZNKJSA-N 459.590 5.105 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccncc2)CC1)c1ccccc1 1829030499 PJWRNIOCENSLOC-URLMMPGGSA-N 485.672 5.221 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccnc2Cl)CC1)c1ccccc1 1829030562 RLBTVIZPFXJWLH-CLJLJLNGSA-N 492.063 5.094 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1829067577 RTHJXFJCLFNBJN-VWLOTQADSA-N 482.665 5.270 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1)C(F)(F)F 1829572861 KGBQUMVUHUYRCM-NRFANRHFSA-N 499.533 5.575 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3F)CC2)cc1C#N 1829880552 BRCVNDQBUNRODB-VWLOTQADSA-N 477.580 5.032 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC2CCC2)CC1 1830357192 QVOJMMNFVMIISV-BJKOFHAPSA-N 489.701 5.046 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)cc1 1830686732 KZVGREWTMAFLOV-DEOSSOPVSA-N 494.433 5.176 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830979699 IETTUKYZHCFKJN-UGKGYDQZSA-N 469.651 5.244 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831239600 ILMDLKPEROIHND-GOTSBHOMSA-N 495.491 5.119 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1831371005 QILUCSPFAAJRQL-ACVONRCISA-N 463.622 5.022 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccnn3C)c(Cl)s2)CC1 1831371015 RZPQIKHHVQVKAV-YLJYHZDGSA-N 489.085 5.248 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1831373462 PNGGGVGLHJIJAZ-BERHBOFZSA-N 466.666 5.022 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1831514837 KSUGDEJXWXBUCV-FIPFOOKPSA-N 471.645 5.407 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1831924090 CJYSYMIANNBBEC-NSVAZKTRSA-N 476.661 5.255 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1)c1ccc(O)cc1 1831926014 SCEMWVAVQRIDNT-VAVYLYDRSA-N 497.639 5.304 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1832030261 KBBPBMUTHVOBRE-QFIPXVFZSA-N 488.554 5.294 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(Cl)c1 1832663114 BPWPKYMYOXIXLL-AFMDSPMNSA-N 494.035 5.523 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705188 NIINYNJXUFGBIV-JOCHJYFZSA-N 484.534 5.061 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CCc3cc(Cl)ccc3Cl)C2)c1 1845889678 IBSAKGPILRLHLS-QGZVFWFLSA-N 470.400 5.070 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C(=O)OCC)cc2)cc1 11252078 DHCQSRRZSDQZHO-UHFFFAOYSA-O 483.560 5.432 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(O)c1 11256788 UHAYISFRFITUGF-UHFFFAOYSA-O 474.005 6.359 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)c3cnn(C)c3)c2C#N)C(C)(C)C1 12850366 ZMYQIVJOZHIPFC-AATRIKPKSA-N 492.626 5.297 30 20 JKED N#Cc1cccc(/C=C(\Cl)c2nc3scc(-c4ccc(Br)cc4)c3c(=O)[nH]2)c1 14179903 AZUFJPVNGBUGEJ-MFOYZWKCSA-N 468.763 6.023 30 20 JKED N#Cc1ccc(OC[C@H](O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)cc1 15237457 FTJGOLYBLLYHFE-KRWDZBQOSA-N 480.952 5.130 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)n(C2CCCCC2)c1C 16628546 PWTRNMURSKVNBL-UHFFFAOYSA-N 483.688 6.189 30 20 JKED C=CCn1c(SCC(=O)N2CCCC[C@H]2C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 28626719 UFMMRBZWODGMSD-OAHLLOKOSA-N 471.623 5.252 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc2c(c1)CCCC2 28695702 XLSKUXQVKHQNAK-UHFFFAOYSA-O 476.622 5.060 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 29152706 YVKDNBIJJAOCJH-UHFFFAOYSA-N 455.602 5.573 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nc2ccccc2c1=O 32323858 NFAFZRRGBAIZSP-LJQANCHMSA-N 461.509 5.357 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)nnc1-c1cccc(C)c1 32857151 KCUFKRYWWGJMCR-FQEVSTJZSA-N 473.558 5.096 30 20 JKED CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 104425946 WMTQPRUHJIEWMN-UHFFFAOYSA-N 486.334 5.844 30 20 JKED C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C[C@@H](c2ccccc2)O1 303204491 PBWAIHKOJDDHTL-CJAUYULYSA-N 461.949 5.785 30 20 JKED C=CCn1c(-c2sc(NC(=O)c3cnn(-c4cccc(Cl)c4)c3CC)nc2C)n[nH]c1=S 303330366 JOCLEQHNWXWENU-UHFFFAOYSA-N 486.026 5.212 30 20 JKED N#Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)ccc1F 481414449 MYQFTDDZYOTUAB-LJQANCHMSA-N 495.341 5.372 30 20 JKED Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c2c(C)noc2n1 487296644 ZXGNKXZNWUQCGO-UHFFFAOYSA-N 457.437 5.030 30 20 JKED C=CCN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 494082142 BISPKDOHRHEJKG-UXHICEINSA-N 473.019 5.190 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(C)s2)nnc1-c1ccc(Cl)cc1Cl 499820103 SMCGKNZIKZCOQA-UHFFFAOYSA-N 453.420 5.216 30 20 JKED Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 502404599 MXUJCGVVTHQRHE-UHFFFAOYSA-N 493.361 5.490 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1C 502818001 RDSQDRKBSBHGLT-HSZRJFAPSA-N 493.405 5.057 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(OC)c(Br)c2)cc1OC 508069076 FZHAUCRSSIXZKX-UHFFFAOYSA-N 471.189 5.083 30 20 JKED C=CCN(C(=O)c1ccc(CS(C)(=O)=O)o1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 508891183 GVWWVKVEWQNFDG-UHFFFAOYSA-N 478.595 5.448 30 20 JKED CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)[C@H](C)c1ccc(C#N)cc1 509622642 ZWQPNMIFQPSQHW-QGZVFWFLSA-N 467.978 5.236 30 20 JKED Cc1nc(SCC(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c(C)c1C 510092038 LUBVMGQTRMJAGO-UHFFFAOYSA-N 478.445 5.142 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 510296542 GLXRHODFIAMWGQ-IBGZPJMESA-N 489.597 5.213 30 20 JKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C2CC2)o1 511499208 MIYRWQFJPVCZQX-XDHUDOTRSA-N 454.530 5.723 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC 511594477 OIMUPEAJAQDOFB-UHFFFAOYSA-N 464.949 5.615 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3(c4cccc(F)c4)CCOCC3)s2)c(C(F)(F)F)c1 512188074 VLTPQSGTKBRVEL-UHFFFAOYSA-N 489.494 5.450 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)cc1 514049192 LDQDIDWTQJDCBY-UHFFFAOYSA-N 468.561 5.547 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(OC)cc2)c1 515368169 JWAZPACJEAZZBP-GOSISDBHSA-N 485.005 5.221 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC)cc2C)c1 515665257 DDNLKTMUMOJCAM-UHFFFAOYSA-N 485.005 5.681 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(NC(=O)c4ccco4)cc3C)n2)cc1 516269963 GVKVTBXSZMBMHG-MRXNPFEDSA-N 463.540 5.524 30 20 JKED CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 516441651 PHAKCIIHQTUMCF-XMMPIXPASA-N 459.977 5.716 30 20 JKED C[C@@H](Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1)c1ccccc1 516713670 GIOBCEFOHSYWCD-VGSWGCGISA-N 450.523 5.707 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(OCC(F)(F)F)cc1 516756819 DBEHFNYLZWZAJK-SFHVURJKSA-N 483.490 6.155 30 20 JKED C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 517460638 NUZQGTDIKHVRBV-PMAPCBKXSA-N 493.032 6.363 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 517839181 NJSFNLGDXATHFP-UHFFFAOYSA-N 478.520 5.097 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)[C@@H](C#N)c4nc(-c5ccncc5)cs4)c3)cn2c1 517891419 KBKNTXNLZUJIKU-JOCHJYFZSA-N 465.538 5.230 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 520864594 DMACYGMZYTYYDR-UHFFFAOYSA-N 492.373 5.661 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 521149338 RMNVJCMVBRNHAX-UHFFFAOYSA-N 499.995 5.450 30 20 JKED COCCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 521234846 UAJMOZSMIJMIIL-UHFFFAOYSA-N 484.531 5.064 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 521719595 JFIJSCMJAXLKCZ-KRWDZBQOSA-N 478.643 5.637 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(C)C 522233304 YCPOZIRPWIWIQT-LJQANCHMSA-N 458.356 5.486 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(NC(=O)Nc2ccccc2)cc1 524130589 FYNLAPBZSCTMNR-IBGZPJMESA-N 480.524 5.865 30 20 JKED Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 524304538 BALAXGXGVFCXQG-UHFFFAOYSA-N 468.582 6.085 30 20 JKED C=C(C)CN(CC)C(=O)Nc1ccc(F)c(NC(=O)c2ccccc2I)c1 524658777 JTDKADPIHJBXIO-UHFFFAOYSA-N 481.309 5.113 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc2ccccc2n1C(F)F 549167676 AXUVBBWNDTVKKE-KRWDZBQOSA-N 477.490 5.915 30 20 JKED Cc1cccc(-c2cc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)n(-c3ccccc3)n2)c1 585714914 MSNGRMSTGDDTLA-UHFFFAOYSA-N 451.530 5.008 30 20 JKED Cc1nc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)sc1SCC#N 591433423 BOJHBWROYVRRMX-UHFFFAOYSA-N 462.383 5.857 30 20 JKED N#Cc1ccc(CN(Cc2ccc(C#N)cc2)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 603669380 CVSJZQFKVPZEHH-UHFFFAOYSA-N 475.518 5.515 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003107 BVSVSWUASGESHJ-UHFFFAOYSA-N 468.532 5.455 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)sc2n1 604458701 WSCXODVJCMUCTI-UHFFFAOYSA-N 460.515 5.071 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 608874488 CIEPYUIQFUAXEK-UHFFFAOYSA-N 466.444 6.031 30 20 JKED CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 608926270 QABOLPJIMPNEOV-UHFFFAOYSA-N 459.550 5.245 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)cn2)c1 608937470 ZPSRRQBZAXGCLT-ZODMCCGTSA-N 466.541 5.158 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c1 608963845 VGIUEBFEBANFIP-UHFFFAOYSA-N 487.972 5.380 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(Cl)cc2-n2cccc2)CC1 609151850 SSVSHQOLBPZDOO-UHFFFAOYSA-N 461.909 5.105 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 609207000 MJSQYFADSQJOKQ-NRFANRHFSA-N 473.508 5.226 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(I)c3)n2)cc1 609357220 WNJAACYVJGFMDS-CYBMUJFWSA-N 450.326 5.275 30 20 JKED CN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)[C@@H]1CCCc2ccccc21 609401501 APORWPPDXAIEIO-LJQANCHMSA-N 461.509 5.186 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2cnn(C(C)C)c2n1 613392144 KCTIDGZGBPCCLK-JOCHJYFZSA-N 477.593 6.601 30 20 JKED O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 615845361 IAZPXYNJTQROCN-XLTGGDBASA-N 456.402 5.255 30 20 JKED Cc1ccc(-n2ncc(C(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2C(F)(F)F)cc1 618301318 NHVXWPMGOYFEOT-TXEJJXNPSA-N 473.339 5.402 30 20 JKED CS(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 642281583 LMJMPGXANCVNHR-OAHLLOKOSA-N 451.356 5.010 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccccc2)cn1 726117819 GRFWYIXSVXWDJX-NRFANRHFSA-N 482.009 5.025 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccccn3)C2=O)cc1 726421447 QNUMSFPJQYINPM-UIRXZSOGSA-N 464.616 5.042 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(CCC)cc2)c1 726573429 CSSHQRAPCQBUSX-UHFFFAOYSA-O 468.429 6.538 30 20 JKED CC(C)Oc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)[n+]2ccccc2)cc1 726573513 HRRNSNFPVHOEFC-UHFFFAOYSA-O 476.622 5.491 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)o1 727764409 YYUKXGZFNWIZPG-RUZDIDTESA-N 452.510 5.649 30 20 JKED N#C[C@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1ccccc1 728147953 PSZAFXDMOFMTDQ-RUZDIDTESA-N 469.972 5.301 30 20 JKED CCOC(=O)/C(=C/c1cccc(OCc2cccc(C#N)c2)c1)c1nc(O)c2c(C)c(C)sc2n1 728698967 BZKVTBWGQDACPW-LPYMAVHISA-N 485.565 5.568 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(CCCCC#N)C2=O)c1 728778610 DKVOEIAQXWBJPY-XMMPIXPASA-N 486.597 5.503 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 729630633 CAMFRCAREXCEON-NRFANRHFSA-N 498.530 5.569 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 730444400 WWLVORONXCQMHC-VWLOTQADSA-N 498.608 5.648 30 20 JKED O=C(COC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)c1ccccc1F 730861764 FKFOIOXQHGCFBJ-UHFFFAOYSA-N 495.738 5.137 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3OCc3ccccc3)n2)cc1 730923178 ZMWJNFJTQWTBGF-QFIPXVFZSA-N 470.550 5.653 30 20 JKED CCc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1-c1cccc(Cl)c1 731070977 NRWXATGFJIHMTF-INIZCTEOSA-N 482.993 5.278 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12 731074144 OVFVCFJERGZCCP-GOSISDBHSA-N 499.567 6.231 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)cc1C 731310985 UJTQKHSTZXZJMV-MBSDFSHPSA-N 477.586 5.194 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccs1)c1cccs1 731313402 YVGGARBKKFBIKB-NGCUXHAMSA-N 471.629 5.105 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Br)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 732781262 XIGDMNWVTSSUTA-FQEVSTJZSA-N 495.402 5.005 30 20 JKED N#C[C@H](C(=O)CCc1ccc(Br)cc1F)C(=O)Nc1ccc(SC(F)F)cc1 745312167 FOQZEZXDLRGPGM-OAHLLOKOSA-N 471.298 5.183 30 20 JKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 746663151 BEADXXFJZHDEJV-WQTVWLHISA-N 483.421 5.031 30 20 JKED COc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(OC)c(OCCCC#N)c3)s2)cc1 747361294 KHOIINIKKINUDI-QGOAFFKASA-N 484.965 5.227 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCc3nccs3)C2=O)cc1 747601827 WOMSFLKJUACFGX-IBGZPJMESA-N 485.034 5.308 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cccc(NC(=O)c2ccccc2SCC#N)c1 749889972 WHXJXQSFIOLAQZ-HXUWFJFHSA-N 495.601 5.111 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 750395923 UIRWWMRDVSLYHC-SFHVURJKSA-N 482.352 5.264 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 750705448 LABMAAMCTWGOSW-ICSRJNTNSA-N 494.592 5.516 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(CC(F)(F)F)C1=O 799217446 PTPTVBKCAVECJQ-HXUWFJFHSA-N 493.551 5.615 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CC(F)(F)F)C1=O 799218861 HUSFQLVNCHDULH-INIZCTEOSA-N 490.334 5.824 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(Cl)cc1 799219315 POOMUJUZBGSVAT-INIZCTEOSA-N 466.788 5.083 30 20 JKED N#Cc1ccc(N2CC[C@@H](OC(=O)c3c4c(nc5ccccc35)/C(=C\c3ccco3)CC4)C2=O)cc1 812491467 UIWQFGQPNHVRJK-FVLIZWQSSA-N 475.504 5.149 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 837300921 LWOBGHWBIIMXES-BTYIYWSLSA-N 466.513 5.081 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)cc1 837952539 RHCDLXZXINUBOE-NLFFAJNJSA-N 486.641 5.982 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2F)c1 838543293 AWHYHSVQDSPMOM-JOCHJYFZSA-N 499.514 5.273 30 20 JKED COc1cccc(/C=C(/CC(=O)Oc2ccc(C#N)cc2OC)c2nc3ccccc3s2)c1 858421214 PXVFRWLNKFEVMB-UNOMPAQXSA-N 456.523 5.721 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc(Cl)cc2)cc1 912825294 QHXFRNRACDNWMS-UHFFFAOYSA-O 481.041 5.920 30 20 JKED COc1ccc(/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)NCc2cccc(C#N)c2)cc1OC 914485545 RQEDXEBZETUHRD-MTJSOVHGSA-N 494.494 5.042 30 20 JKED COc1ccc(-c2nn(CN(C)Cc3cccc(C#N)c3)c(=S)n2-c2ccc(OC)cc2)cc1 914783422 RMQINNFSMQLIEA-UHFFFAOYSA-N 471.586 5.049 30 20 JKED Cc1ncc(CO)c(/C=N/C[C@@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)c1O 915980223 ZARJRONBHGLGHK-GDWXBDPWSA-N 476.429 5.175 30 20 JKED Cc1ccc(S(=O)(=O)N(CCC(=O)[C@@H](C#N)c2nc3ccccc3s2)c2ccccc2)cc1 916627237 HNNRDDQMEGWNLK-OAQYLSRUSA-N 475.595 5.067 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 916906890 KUQUYMFFPWJNAK-LJQANCHMSA-N 485.531 6.223 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc(-c2ccc(Cl)cc2)cs1 916976159 LYULQRCUWJNYRM-UPVQGACJSA-N 484.964 6.408 30 20 JKED N#C[C@H](C(=O)c1cn(-c2ccccc2Br)nn1)c1nc(-c2ccc(Cl)cc2)cs1 916976871 VMRSNXAJCJZKPO-CQSZACIVSA-N 484.766 5.297 30 20 JKED N#C[C@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 917039886 GVBQJJNWHKDDKT-VBROQKIQSA-N 473.323 6.359 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 917427794 LTTNMZMLBNERLO-MOPGFXCFSA-N 462.550 5.378 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2o1 917510146 SMQWZZKZXOOLMR-IBGZPJMESA-N 474.314 5.262 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 917714152 XSQZYUQPEMJXDQ-QHCPKHFHSA-N 450.519 5.993 30 20 JKED N#Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2Br)c(C(F)(F)F)c1 917847294 OMSMMAIMOZFNGC-UHFFFAOYSA-N 456.239 5.260 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl 920017314 MLAGTELCCJTYSR-UHFFFAOYSA-N 474.923 6.257 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)c2C)cc1Cl 920106059 RDFBHVPCGXZRLI-NRFANRHFSA-N 458.949 5.375 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)c1 920107548 DFXZUBVZUBNENQ-XMMPIXPASA-N 497.551 5.141 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)cc1Cl 920110743 GXECVRQLRUZMEH-NRFANRHFSA-N 488.906 5.302 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)n1[C@H](C)c1ccccc1 920143517 XDCNEWBLIWDZEA-KOSHJBKYSA-N 450.567 6.200 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)c2ccccc2OCC#N)cs1 920633872 MIRAZVLVTDRXPB-UHFFFAOYSA-N 475.448 5.106 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CCO2)C1 1778877004 MDDAWLSRTDOILF-VCCQQEBNSA-N 485.068 5.212 30 20 JKED COc1ccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)CCc5cccc(C#N)c5)cc4)CCC3)c2c1 1786040634 BNLFCMOWRKXKPI-UHFFFAOYSA-N 492.579 5.429 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)cc1C 1786576018 BLDFOXZRVPCQOA-UHFFFAOYSA-N 467.569 5.060 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C(F)(F)F)coc3C)cc2)CCC1 1788789831 SJBGHWIQHHRRDS-OAHLLOKOSA-N 465.472 5.155 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@@]4(F)CCCCC4(F)F)cc3)CCC2)c1 1789165882 BJTOYANNIVGWQQ-DEOSSOPVSA-N 473.470 5.363 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cc2)CCC1 1789192046 SULKDYRLOPGSCX-FGCOXFRFSA-N 464.654 5.009 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789199802 YYFHGAMRROTXDU-AMGIVPHBSA-N 499.627 5.238 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1789417859 MVUYQFNTZCEXOL-STPJHCLOSA-N 467.616 5.075 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)cc(Cl)n3)cc2)CCC1)C(F)(F)F 1789907542 KTPHIUISYLHWMS-UHFFFAOYSA-N 458.267 5.255 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)c1 1790073245 VBBSJRPCQNBMSK-UHFFFAOYSA-N 470.554 5.171 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cc1 1790766300 SYKUTSWYMHVTMR-UHFFFAOYSA-N 468.944 5.074 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc4c(c3)C(=O)CC4)cc2)CCC1 1790883605 KQVNXNYRTWQUJP-OUKQBFOZSA-N 484.577 5.064 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(OC)cc3)CCC2)cc1)C(F)(F)F 1791302984 GLLDQWYGMMIEKR-LEWJYISDSA-N 458.480 5.051 30 20 JKED CC(C)[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1)c1ccc(F)cc1 1791506238 YHNGBBPUEJZATC-DEOSSOPVSA-N 458.537 5.213 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CC3[C@H]4CCC[C@H]3CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791589494 FFJWXZJLMDRGOB-SFTDATJTSA-N 495.664 5.370 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc4[nH]ncc34)CCC2)cc1)c1ccc(O)cc1 1791642296 CSOANFNSPUDOOZ-NRFANRHFSA-N 492.579 5.213 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COCc3ccc(OC)cc3)cc2)CCC1 1791687200 RZLZIAQDLIHOCE-RUZDIDTESA-N 462.590 5.114 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccn5cncc45)CCC3)cc2)c1 1792124934 PEWBMZWSHKCVHL-IBGZPJMESA-N 463.541 5.023 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5c(F)cccc45)CCC3)cc2)c1 1792125152 SDGWNDNETKRSHJ-QGZVFWFLSA-N 481.531 5.391 30 20 JKED CCN(CC)C[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792169159 XJGCCTRDIJTUAU-OAQYLSRUSA-N 490.648 5.071 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4C4CC4)CCC3)cc2)cc1C#N 1792169534 PHECTCSNYXCXLL-ZEQRLZLVSA-N 457.574 5.139 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@]3(C)CC3(F)F)cc2)CCC1)NC(=O)OC(C)(C)C 1792250500 APHPADZBIIZCFD-CYFREDJKSA-N 491.579 5.025 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)cc2)CCC1 1792343478 OHGQUROILTYZBD-QHCPKHFHSA-N 483.653 5.206 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3sccc3s2)c(Cl)c1 1798032697 LHGRDVFEYVJTEM-QDMKHBRRSA-N 455.992 5.053 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1SCc1ccccc1 1799020875 QJVQAXZBVRGLIR-KIHHCIJBSA-N 475.658 5.394 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(C#N)ccc3F)ccc21 1800683812 QEZNWLRKWUVMEC-KOUNCHBCSA-N 494.570 5.391 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2)C(F)(F)F 1801701812 APNQHXJQEGQXFM-ACDBMABISA-N 474.548 5.349 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1802495749 DUGNCLDBYIPBQS-GJZUVCINSA-N 470.617 5.250 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1803082865 YSVYDZHWFWNIAF-QPPBQGQZSA-N 451.998 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1803122858 MQJVFKKGKVDWHK-FKCDAAJZSA-N 463.597 5.018 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cn(-c4ccccc4)c4ncccc34)CC2)C1 1805454961 MSYSHBONGIMBBU-UHFFFAOYSA-N 496.655 5.639 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2oc3ccccc3c2C)[C@H]1c1cccnc1 1809161174 OJBDJPGRUAPXLT-TZBSWOFLSA-N 457.574 5.224 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)C1)c1ccccc1 1809162133 KEFULSRQFZHNFI-RBISFHTESA-N 489.635 5.301 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1810440171 GQCQJNAAMZZUPM-JCYYIGJDSA-N 469.629 5.053 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1810495496 SMVQKSAMNRHCON-QPPBQGQZSA-N 487.566 5.341 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccccc4)CCC3)[C@@H]2c2cccnc2)c1Cl 1811423624 BMFOCNOOWBCEMN-ATIYNZHBSA-N 499.014 5.048 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811721827 OBFNCLITNLZYTI-MYIHVTGJSA-N 469.585 5.406 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1811821959 NRXBSQFHPWLEGY-UGKGYDQZSA-N 474.432 5.700 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1811823957 LWIUDYOHVKLDMF-MIZPHKNDSA-N 472.416 5.476 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CC1 1812791919 JVOAPTVPIGHOOS-HZTDRZKOSA-N 495.784 5.601 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2)[C@@H]1c1cccnc1 1813931551 GPCULCPLHLRJIB-RSXGOPAZSA-N 475.633 5.182 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2coc(C(C)C)n2)n[nH]1)c1ccccc1 1816093353 XTYGIJPKHSUZGS-REWPJTCUSA-N 473.577 5.024 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)n[nH]1 1816099874 VJGFHRUHSJQLPC-DEOSSOPVSA-N 457.578 5.213 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)C#CC4CC4)[nH]n3)c2c1 1817711385 JWRXSJPJNYDCQQ-JOCHJYFZSA-N 488.588 5.082 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(OC)c2)[nH]n1 1819305584 WFORHSHIRDAGCP-WIOPSUGQSA-N 499.615 5.555 30 20 JKED O=C(C/N=C/c1ccco1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1819479921 YARPIVJSOUXDPG-HGFFDCOOSA-N 497.555 5.220 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2onc3ccccc23)[nH]n1)c1ccccc1 1819521167 YKRJTJVQAKOYCW-GBXCKJPGSA-N 481.556 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)[nH]n1 1819556771 MHAUYQGQOXWNIH-FQEVSTJZSA-N 458.990 5.370 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)c(C#N)c2)n[nH]1)c1ccc(Cl)cc1 1820910604 MYBQOUAXIZCURI-QMHKHESXSA-N 493.970 5.112 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2CSc2ccccc2)n[nH]1 1821262681 CXKOKBOSYIFSKW-JTSKRJEESA-N 480.659 5.326 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)n[nH]1 1821788055 WDOQAYLWCZXMID-OXJNMPFZSA-N 494.583 5.230 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1821924610 FEORUIOIOFXXLW-KSSFIOAISA-N 467.551 5.051 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2c[nH]c3ccc(F)cc23)n[nH]1 1822257724 HISIZLYHHZKBNR-RDPSFJRHSA-N 477.584 5.423 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1822388049 CEJFMYFZZNPPGU-URXFXBBRSA-N 455.002 5.299 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1822580051 RFGJONQJKDXOBK-NRFANRHFSA-N 478.980 5.823 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823218163 YUUBUZLUQNBGIO-NBGIEHNGSA-N 469.589 5.284 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(F)c(Cl)c2)n[nH]1 1823277229 RBZNOIHPOBIMDF-KXBFYZLASA-N 462.928 5.416 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)c3cccs3)[nH]n2)cc1C#N 1823295013 WYBNCGJCNXQHMS-UTKZUKDTSA-N 491.617 5.240 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCC(F)(F)C3)CC2)cc(C(F)(F)F)c1 1823695147 CNFSDMNXNOQNAL-GHTZIAJQSA-N 497.508 5.246 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)CC1 1824127094 AYZGEZPWQSUHHI-VSGBNLITSA-N 477.693 5.291 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccsc3)CC2)cc(C(F)(F)F)c1 1825796400 KKNSZCZPYQUPNX-OAQYLSRUSA-N 475.536 5.186 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1826321689 XSWWZQFAVFVZQM-VWLOTQADSA-N 461.631 5.126 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3C(F)(F)F)CC2)cc1 1826479758 WZZAANLVKOQYPY-DEOSSOPVSA-N 483.534 5.053 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827331627 AYGLPRZSFABZFZ-MHZLTWQESA-N 471.645 5.484 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)Cc4ccc(F)c(C#N)c4)CC3)ccc2n1 1828232801 XFQFDAILHKUTIK-NDEPHWFRSA-N 498.602 5.030 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1)C(F)(F)F 1828295860 YEKCRVSYZBVITQ-HXUWFJFHSA-N 467.919 5.173 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606620 LHSNQEHSIDHEJG-LAUBAEHRSA-N 473.614 5.075 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)cnc2C)CC1 1828822932 NUBHREYMPMBMFC-JTHBVZDNSA-N 488.470 5.154 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 1828879932 QCKGTMNKFHJDIS-BHAFLUAZSA-N 487.669 5.600 30 20 JKED O=C(c1cc(Cl)sc1Cl)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828997341 IWEKJORMUSBHCR-YBNTXHARSA-N 482.433 5.000 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccnc2C)CC1)c1ccccc1 1829030339 NMQINVBXPBFECF-FQLXRVMXSA-N 485.672 5.140 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](F)c3ccccc3)CC2)c1Cl 1829687783 HBIPCARGSRRVBV-LADGPHEKSA-N 467.972 5.156 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)c1Cl 1829689433 DSGHLXRFLATDDU-QFIPXVFZSA-N 489.925 5.176 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829908301 WNUKLFJNQQYTBZ-BKMJKUGQSA-N 491.632 5.513 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829959531 VNSKDCDFXBLJMG-XMMPIXPASA-N 480.008 5.157 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(F)c1 1830521695 DVHZACIHYTYRJM-NIYFSFCBSA-N 477.580 5.008 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c(Cl)c1 1830721971 WORIUJRATVPTMB-VWLOTQADSA-N 492.982 5.379 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)cc(C(C)C)c2)CC1 1830777710 KZVNKEXXCQFMRU-QFIPXVFZSA-N 461.444 5.382 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059024 LRWXYNWZWPZQOW-CPJSRVTESA-N 474.601 5.410 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1831446624 CXXBCJONCOHQMY-IBGZPJMESA-N 498.496 5.312 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1)C(F)(F)F 1831451525 WOLLHUCCXRIDJF-OAQYLSRUSA-N 499.533 5.575 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1)C(F)(F)F 1831452365 CEAAHJNCQNNYOB-HNNXBMFYSA-N 456.555 5.315 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCCCCC(=O)OCc2ccccc2)CC1 1831721926 JZRAKMSBNIRWEG-MHZLTWQESA-N 496.692 5.656 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1831748672 CYTOQGITWNHDCF-JPYJTQIMSA-N 493.475 5.236 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1831858036 BTSLCEXYEICERA-RUZDIDTESA-N 455.602 5.416 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1832168271 JEJNWUKPXMDDRT-XMSQKQJNSA-N 497.064 5.021 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1832825947 CZDUIELHADUTJU-BWKNWUBXSA-N 495.664 5.170 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)CC1 1836742884 PZEZQNFTEBGENE-GOTSBHOMSA-N 488.619 5.059 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H]4CCC[C@@H]5CCCC[C@@H]54)CC3)CC2)c1 1838290792 PIMIRKBWZHODEH-MXSCXNJPSA-N 491.676 5.085 30 20 JKED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)C1 1845537214 VFOOUOXDSJUXRG-UHFFFAOYSA-N 465.421 5.366 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nc3ccccc3c2=O)cc1Cl 8953252 LNKMPDGQQYAEBT-HNNXBMFYSA-N 490.972 5.039 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)nnc1-c1ccccc1 9447071 ZGUMDIDRXCBGDN-UHFFFAOYSA-N 489.670 6.490 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC(C)(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10438399 PONWWZOHJOLTEB-AWEZNQCLSA-N 459.612 5.154 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(F)cc2F)cc1 11247534 DHAUNFNBCFQVGN-UHFFFAOYSA-O 476.366 5.628 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccc(F)cc1 12100984 STFAOXIGRPMDTJ-UHFFFAOYSA-N 481.778 5.417 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1ccc(Cl)cc1 14872514 YKGAZIMDQYRNHJ-UHFFFAOYSA-O 451.877 5.577 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 14872556 QAOBPAMWNRKBOU-UHFFFAOYSA-O 471.933 5.947 30 20 JKED O=C(C[C@H]1S/C(=N/c2cccc(Br)c2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 16938559 QCKMPSRTEZMHNP-HXUWFJFHSA-N 496.386 5.489 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 22690309 LPGRSOSUSPAPSR-UHFFFAOYSA-O 477.647 6.662 30 20 JKED COc1cccc(NCc2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)c1 22719268 HLMGBLDTSIDKFC-GOSISDBHSA-N 490.633 5.395 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 22733164 PTMKWCQIFVHVOZ-UHFFFAOYSA-O 477.349 5.254 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nnc1-c1ccc(F)cc1 24295024 PNQCQAFJOJZMKO-LJQANCHMSA-N 493.589 5.395 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C(C)(C)C)cc1 28695694 DGDGBJJAILHPDV-UHFFFAOYSA-O 478.638 5.479 30 20 JKED O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 69096481 BJWINPLZHMCIKJ-UHFFFAOYSA-N 487.503 5.095 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl 107877282 RULKJUQHWPBUED-NRFANRHFSA-N 457.877 5.342 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 169541247 HJKGROWCHWZNNX-FOIMCPNXSA-N 458.510 5.513 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1F 195569420 FLJQLELLZCLPIP-IBGZPJMESA-N 472.589 5.657 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nnc1-c1ccccc1F 195569564 XNTOGHQCSNJNFY-UHFFFAOYSA-N 479.606 5.509 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F 195672119 XVMHAOKDGLAWIR-UHFFFAOYSA-N 472.511 5.414 30 20 JKED CC(=O)Nc1ccc(/C=C2/CN(C3CCCCC3)C/C(=C/c3ccc(NC(C)=O)cc3)C2=O)cc1 208956605 RXLWJTILWJQDOD-YFJQDTPYSA-N 471.601 5.288 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 302941893 BHJJFJZGSNLFBH-UHFFFAOYSA-N 497.979 5.004 30 20 JKED COCCCCN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 303040767 SUMNQPFRKQOCMD-UHFFFAOYSA-N 456.546 5.271 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1-c1ccc(F)cc1 303204037 OZYZPKCCZZMSPN-UHFFFAOYSA-N 460.896 5.676 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 303269126 GWYGRWOOXBBLQS-CYBMUJFWSA-N 452.458 5.306 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 478860053 TUQMFXMYFAMHGQ-UHFFFAOYSA-N 476.920 5.265 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](Cc3ccc(O)cc3)c3nc4ccccc4[nH]3)c2)cc1 483465755 ONDFEOPWXLFAHC-MHZLTWQESA-N 474.520 5.646 30 20 JKED COc1ccc([C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)c2ccccc2)cc1Br 488047392 YTHHNWZEOUNXKN-HSZRJFAPSA-N 484.781 5.300 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccc2Br)n1 499306240 KCCMGQJWRRVABE-UHFFFAOYSA-N 461.410 5.243 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(C(F)(F)F)cn1 501146899 HLXOMIBDKNAVFN-UHFFFAOYSA-N 459.468 5.745 30 20 JKED CC(C)Oc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cl 507027621 LDQBJGHFDMNJOY-UHFFFAOYSA-N 454.914 5.102 30 20 JKED N#Cc1ccc(OCc2cccc(C(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)c2)cc1 507775639 YXZSWTUFNGAFMA-UHFFFAOYSA-N 480.549 5.398 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 508273328 KRJBFIDQMMENHL-UHFFFAOYSA-N 469.541 5.794 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 508416867 FUODJVJQHWKVCS-UHFFFAOYSA-N 451.501 5.687 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)nc(-c3ccco3)nc2SC)cc1 509097546 ZOKOKFRYUFEGHB-UHFFFAOYSA-N 472.526 5.692 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1Cl 509594434 VULRVDNQGFMXEB-URXFXBBRSA-N 466.368 6.254 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)c2)cc1 509903220 AYSYJCZOAKSFOX-UHFFFAOYSA-N 474.992 5.335 30 20 JKED CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)ccc1OCC(=O)N1CCCCC1 511077746 BIPIIRREIRNAHD-UHFFFAOYSA-N 495.645 5.321 30 20 JKED COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1NC(=O)c1cccc(F)c1 514575419 WCCQWVYVQOERQE-UHFFFAOYSA-N 497.551 6.362 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 515043306 AVPJETDZHJYKCG-UHFFFAOYSA-N 465.469 5.958 30 20 JKED C=CCn1c(S[C@H](C)c2nc(C3CC3)no2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 515429761 HXAHHFIMSHJTRU-CYBMUJFWSA-N 468.579 5.872 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 516459109 RIJRQFJMBDADPL-UHFFFAOYSA-N 493.567 5.188 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 516477652 LJMFDJSDQBVCLU-IFMALSPDSA-N 466.006 5.899 30 20 JKED Cc1ccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 517532481 INZQUHCZWUOUQH-IBGZPJMESA-N 459.571 5.437 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517843499 UTQRHNCRDYILOK-SANMLTNESA-N 453.542 5.289 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 518462555 WHAGYAJYMLGFLB-MRXNPFEDSA-N 471.985 6.252 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 518922112 WPNLSAQPLAYFRJ-VWLOTQADSA-N 491.433 5.184 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 519999050 HJHIHMXYCZKBMR-UHFFFAOYSA-N 493.398 5.081 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OC1CCCC1 520937900 LFHZBJVQGWUQQZ-ROUUACIJSA-N 453.608 6.294 30 20 JKED N#C[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1ccc(OCc2ccccc2)cc1 521500165 ASBCVCRAUDRTJS-JYPDZDFGSA-N 473.617 5.202 30 20 JKED Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)cc(C)c3C)cc2)n(CCC#N)n1 521598138 YXVHPIOKGFVPRW-UHFFFAOYSA-N 493.633 5.073 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)cc2)c1 521793908 JUXNIFYEMCFCAP-UHFFFAOYSA-N 473.492 5.731 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3nc(-c4ccccc4F)ccc3=O)c2C#N)C1 524290555 WGJCLCIYSXQSGY-INIZCTEOSA-N 478.593 5.162 30 20 JKED Cc1cccc(COc2ccc([C@@H](C)NC(=O)C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)c1 524377825 UGCBFMAEOGDSAJ-HXUWFJFHSA-N 471.557 5.049 30 20 JKED CCCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccccc1Br 553026683 ZIEPBFYFFAILEC-KRWDZBQOSA-N 460.441 5.694 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)sc2c1CCC2 589943911 QFBWTNVHKMVNGL-UHFFFAOYSA-N 474.615 5.304 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 603454525 VHPNKWIQGDAXDJ-UHFFFAOYSA-N 458.905 5.334 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 603600848 FGFNVWBEWWNZGF-UHFFFAOYSA-N 498.564 5.131 30 20 JKED Cc1ccc(Oc2ccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cn2)cc1C 603696073 VXTRZNRKNMOUES-UHFFFAOYSA-N 455.562 5.102 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)c2)cc1 604461477 NZFKXLGKDYCGEP-NRFANRHFSA-N 476.527 5.258 30 20 JKED Cc1nc(-c2ccccc2)sc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 609005992 OJWAAWVMWPYOKA-UHFFFAOYSA-N 468.538 5.037 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(Cl)cc1 609060677 AHECMYGXMJZPIQ-VWLOTQADSA-N 461.949 5.305 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1S[C@H](C)CC#N 609427480 BZBUAMLJGZPDAP-CQSZACIVSA-N 474.380 5.131 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 609434974 IHZZKLMKDLGSFJ-LJQANCHMSA-N 457.603 5.360 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 609439507 HPJRSQHVASHDLG-CABCVRRESA-N 499.061 5.982 30 20 JKED O=C(NCCOc1ccc(C(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612804198 DRNLIEURKOSDCH-ITGUQSILSA-N 466.344 5.293 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2cc(C(F)(F)F)ccc2s1 613404003 MKNSAOVCDDHFNU-MRXNPFEDSA-N 460.408 6.116 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)nc2cc(Cl)ccc2c1=O 613816978 MQKHAYONZDRDHY-JOCHJYFZSA-N 484.021 5.090 30 20 JKED C=CCOc1c(Br)cc(CNc2ccc(C(N)=O)c(N3CCCCC3)c2)cc1OCC 630057774 YMRZYCBLFHESMD-UHFFFAOYSA-N 488.426 5.114 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 726393880 RTQLYNRICKWXRA-HOYKHHGWSA-N 486.597 5.097 30 20 JKED CCOC(=O)CCN1C/C(=C/c2ccc3ncccc3c2)C(=O)/C(=C/c2ccc3ncccc3c2)C1 726428509 NCANHPQYXFAVQB-WTHRLWDASA-N 477.564 5.088 30 20 JKED Cc1cc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc3c(c2)CCCC3)c(C)c(C)c1C 726569751 KBGUBKDAVOWSGV-UHFFFAOYSA-O 486.661 5.593 30 20 JKED CCOc1cc(/C=C/C(=O)c2sc(-c3ccc(F)cc3)nc2C)ccc1O[C@@H](C)C(=O)N(C)C 727267356 HYNNTRJZHZEIAY-BNXPMYBGSA-N 482.577 5.408 30 20 JKED N#C[C@H](C(=O)CCCCc1ccc(I)cc1)c1ccc2ccccc2n1 727952802 QUDIETYAKXPSPA-IBGZPJMESA-N 454.311 5.429 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc2ccccc12 728421373 UEEXJXFSCRQRMF-HOYKHHGWSA-N 486.597 5.097 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C)s2)c1 728422756 FOTIWXGEAPYSDI-JOCHJYFZSA-N 490.610 5.097 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1c(Cl)ccc(C)c1Cl 728429874 LCNSPZGKMFNZSJ-MRXNPFEDSA-N 466.390 5.291 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 728740061 ZQWSPXRJQVOLAD-HXUWFJFHSA-N 494.592 5.470 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCCCC#N)c1cccs1 728776875 CLBYJROJVCPCNZ-XBPHMGBKSA-N 476.574 5.110 30 20 JKED CC(C)N(CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)OC(C)(C)C 729035340 BXMOOPYHQOOUPH-HSZRJFAPSA-N 450.583 5.499 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1OC 729428939 ZHZXYNIXSRSDQA-IBGZPJMESA-N 463.515 5.066 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)C(C)(c2ccccc2)c2ccccc2)n(Cc2ccco2)c1C 729757991 WYDSRJOHIHXLLB-UHFFFAOYSA-N 481.552 5.106 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1C1CCCC1 730525728 HZGYFIQSQNTUKP-QHCPKHFHSA-N 481.618 5.169 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)c(F)c1 730533713 CSOWJSVKJRGDFG-GOSISDBHSA-N 478.387 5.267 30 20 JKED N#C[C@@H](C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1nc(-c2ccccc2)cs1 730686251 FKTKJOLITKCDCV-MAUKXSAKSA-N 499.379 5.198 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O)Nc1cc(Cl)cc(Cl)c1 730717397 LQTKPBFGZQZOLG-SFHVURJKSA-N 493.347 5.281 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N([C@@H](C)c3cccnc3)C2=O)c1 730943865 LNVRPXROVJYCHK-FDDCHVKYSA-N 493.032 6.073 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1cccs1 731063120 INOFXPDQYAQJRO-INIZCTEOSA-N 464.568 5.169 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 731069064 DKPRBFOHXBINEQ-MSOLQXFVSA-N 494.642 5.089 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 731312017 HOBPAFLCDKHNJN-RUZDIDTESA-N 496.592 5.409 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1 746697173 ANSKYVQULGYAJJ-HSZRJFAPSA-N 472.545 5.468 30 20 JKED C=CCn1c(SC[C@@H]2CCOCO2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 755420998 PRZBLNHBJXMYER-FQEVSTJZSA-N 458.587 5.510 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(CC(F)(F)F)C2=O)cc1 799212778 KFUBNEKGFAOGCO-GOSISDBHSA-N 497.926 5.374 30 20 JKED CCN(CC)c1ccc2cc(C(=O)/C=C\c3cccc(NC(=O)C(F)(F)F)c3)c(=O)oc2c1 810234007 VFLMKLZGCQZKEP-FLIBITNWSA-N 458.436 5.036 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 837285255 LZDKDZKKDZFJSS-IIBYNOLFSA-N 498.530 5.822 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N([C@@H](C)c2ccccn2)C1=O 837381831 PGVYOPXASZUNJT-FDDCHVKYSA-N 474.586 5.120 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCN(C(C)C)CC3)C2=O)cc1 838235520 RSBMEYVVJZAEFW-XMMPIXPASA-N 496.652 5.276 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CC(F)(F)F)C1=O 838523835 RKVCNSMGXYJWOY-LJQANCHMSA-N 495.523 5.007 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccc(C)c1 912771823 RETJVKZPIIDVNP-HSZRJFAPSA-N 477.561 5.303 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915103859 GZPIQVITUVOWDB-MBNRZODZSA-N 483.515 5.443 30 20 JKED N#CCCN(Cc1cccnc1)Cn1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1=S 915795609 DHPDOCCPNWNUNX-UHFFFAOYSA-N 460.994 5.492 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)cc1 916211999 JDTKUNQWDSPDHM-QHCPKHFHSA-N 458.587 5.167 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(Cl)c1 916214684 QTTSNRFQVFTNLU-MRXNPFEDSA-N 486.808 5.254 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc4ccccc34)N(C[C@H]3CCCO3)C2=O)cc1 916217284 JUAZZIRJWMTCNN-QPPBQGQZSA-N 473.598 5.288 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(C[C@@H]3CCCO3)C2=O)cc1 916217286 JUAZZIRJWMTCNN-XUZZJYLKSA-N 473.598 5.288 30 20 JKED FC(F)Oc1ccc(Br)cc1C=Nn1c(S)nnc1-c1ccccc1Cl 916277211 YPWPQHDAUPBIPD-UHFFFAOYSA-N 459.703 5.133 30 20 JKED N#C[C@H](C(=O)CCSc1ccccc1Br)C(=O)Nc1ccc(SC(F)F)cc1 916888805 ZIHIQHKSZTXBSV-CQSZACIVSA-N 485.375 5.594 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)COc1ccc2cc(Br)ccc2c1 916905140 ATDQAFBZMKTAPV-QFIPXVFZSA-N 479.374 5.453 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047261 VAGXWWCAHXIZGW-IINYFYTJSA-N 451.798 6.069 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccnc(C)n3)C2=O)c1 917660953 SDOKINDLCJXFTF-XMMPIXPASA-N 487.629 5.179 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1[C@H]1CCN2CCC[C@@H]2C1 917663409 MUEQFROPMQDRRC-FUPPJEDESA-N 497.064 5.236 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)s2)c1 917666207 FORKTKYAUQJKEV-OAQYLSRUSA-N 483.590 5.365 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccsc2)c1 917667333 UJNZNUAXJAGEJR-JOCHJYFZSA-N 479.627 5.534 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc(C)s3)C2=O)c(OC)c1 917675677 VTPNDVKOXZJQID-JOCHJYFZSA-N 495.626 5.234 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C/c3cccc(NC(=O)c4ccc(OC)cc4)c3)cc2c1C 918156664 RWPKPNLJDOAWCG-KPKJPENVSA-N 486.549 5.548 30 20 JKED COc1cc(/C=C(/C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c2ccccc2)ccc1O 919169833 KUYVMVKGVYYAKM-HZHRSRAPSA-N 490.943 5.085 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)n1 919363618 ARJHIZMHLQFNNO-SFHVURJKSA-N 462.424 5.310 30 20 JKED C#CCN1CCC(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)CC1 919965631 OFTLWOQVRRALNI-UHFFFAOYSA-N 475.458 5.055 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 920110671 FPVVNMRRRAQFQJ-GUYCJALGSA-N 458.008 5.929 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccc(F)c(F)c1 920358910 DAUQJEYGIMFYMP-QFIPXVFZSA-N 494.498 5.136 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)c1nc(-c2c(F)cccc2F)cs1 920807096 XRSYTQJMFJYKRH-MMQHEFTJSA-N 450.388 5.877 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 921104901 ZOCCGBZPXXMWDU-UHFFFAOYSA-N 469.975 5.742 30 20 JKED COc1ccc([C@H](CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c2c[nH]c3ccccc23)cc1 921236966 UCROMEKJOMPILS-QHCPKHFHSA-N 464.525 5.302 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)n1 921249175 CUTTZHSSPRCNGT-KJAJEWJFSA-N 454.910 5.204 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)Cc4cccc(Br)c4F)cc3)CCC2)C1 1786195293 XSEIGZBIOYCVFJ-UHFFFAOYSA-N 471.370 5.231 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)on3)CCC2)cc1 1786365520 KNYTVUZQYPLSMQ-UHFFFAOYSA-N 459.546 5.072 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1 1786546041 AEQZFPRDBROUQT-GOSISDBHSA-N 487.984 5.150 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CCC2)cc1 1787649542 LHTKLAMSGYJBIN-HXUWFJFHSA-N 460.965 5.289 30 20 JKED CCCc1onc(C)c1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1788781587 ITCIBYOWIBEONC-OUKQBFOZSA-N 477.586 5.184 30 20 JKED COc1cscc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1788828805 FPKVQPYBRBACCL-KRWDZBQOSA-N 459.571 5.445 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)c1Cl 1789327637 YOHBPSCFPLIZNG-UHFFFAOYSA-N 480.955 5.821 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3COc4ccccc4O3)CCC2)cc1 1789449155 OIKJRHYCSDGBDI-DHIUTWEWSA-N 460.574 5.119 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)cc2)CCC1 1790775001 REZHGJNTFIQAED-UHFFFAOYSA-N 491.394 5.162 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4cn[nH]c34)CCC2)cc1 1791249794 BQQUJKHEMRMPQK-HNNXBMFYSA-N 481.394 5.285 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)CCC2)cc1 1791296378 SNLRNECNWQHJEF-QHCPKHFHSA-N 495.570 5.013 30 20 JKED Cc1cccnc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792122452 AIZQALXAVZEEPU-OAQYLSRUSA-N 466.585 5.398 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5oc(-c6ccccc6)cc5[nH]4)CCC3)cc2)CCC1 1792233392 KVJWVBFRKBDYEP-UHFFFAOYSA-N 478.552 5.869 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)on3)CCC2)cc1 1792236765 SNSOIHNHSMDEGC-UHFFFAOYSA-N 492.535 5.040 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Br)c1CC)C2 1798339994 JQHYOMOLUZMVTB-AJYBTWMASA-N 459.428 5.032 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(C)noc1-c1ccccc1)C2)c1ccccc1 1798553947 WFSXWTYDUVBFQF-QYOOZWMWSA-N 481.596 5.099 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2)c1ccccc1 1798559663 QQJRKYPKIGPDOD-WMGXJHCHSA-N 474.567 5.191 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc4c(Cl)cccc4s3)[C@H]2c2cccnc2)C1 1802413880 KWJVKAKHLPARQT-SBUREZEXSA-N 466.006 5.236 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c1 1802777860 BRNAOHIDZZWWMD-IUBQTAPSSA-N 490.966 5.135 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1803090764 IQAWFQBSRGOORL-JCYRPKCISA-N 478.036 5.239 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4[nH]c5ccc(Br)cc5c4C)CC3)C2)C1 1804785894 ZHSWISZJQCMAHA-UHFFFAOYSA-N 484.438 5.050 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccccc3OC(F)(F)F)C2)CC1 1805089044 GVPZYLQKZDAYPH-IBGZPJMESA-N 464.528 5.198 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@H](CNC(=O)CC#N)[C@H]3c3cccnc3)c(C)c2)cc1 1806289276 GETALFBGLUKIGY-POURPWNDSA-N 494.639 5.633 30 20 JKED Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)C2)s1 1806985298 IVMNOBYITATRGM-FQEVSTJZSA-N 463.647 5.161 30 20 JKED CC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1)c1ccccc1 1809013252 LWLJNKKOWVAMBB-GJZUVCINSA-N 457.618 5.352 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1810171289 DQNNXKMFLDRFSQ-FHAGJXEFSA-N 494.060 6.038 30 20 JKED C[C@H](CC(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1ccccc1 1810271615 IEHVUSSIAUTMDC-IXLXJOPFSA-N 489.736 5.332 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCCC(F)(F)F)[C@@H]1c1cccnc1)c1ccccc1 1810440216 HCBUGPVRXLPVNW-GIFXNVAJSA-N 485.550 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810493010 SZBJVVYUHUPVIT-UCFCWBNQSA-N 468.041 5.537 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1810503271 PDLKZNHPNMQEAI-NVQXNPDNSA-N 493.623 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1810504504 ZSZIZRAYHHWBSP-NFBKMPQASA-N 454.014 5.355 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811251938 QDXRLVWMACGHFN-XZWHSSHBSA-N 485.587 5.115 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)n3ccccc23)[C@H]1c1cccnc1 1811264003 JHUXEQSJWFCQNZ-SETSBSEESA-N 490.607 5.124 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Br)cc(C(C)C)c2)[C@H]1c1cccnc1 1811981998 FGQQLFWJTLLQKU-MFSJNOQSSA-N 498.465 5.499 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1812589355 BRMIPDFZDVERKB-MAFNXUKGSA-N 485.628 5.310 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1812997899 SUAGNQQILAFZTH-ONBQWJCTSA-N 491.635 5.088 30 20 JKED Cc1cc(C)c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c(C)c1 1813785721 DARXQPSOYDKHNQ-GJZUVCINSA-N 487.003 5.165 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c1 1814739459 VQLKWSMHMGLPRQ-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)[nH]n1 1814831038 OBHSIFODJUTARW-QHCPKHFHSA-N 480.584 5.412 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCCc3ccccc3F)n[nH]2)c1 1814850779 HPMQNHRWZHRUDY-RUZDIDTESA-N 487.579 5.068 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4[nH]3)n[nH]2)c1 1819192307 MWZZOLKNOQNOHV-YCRPNKLZSA-N 472.574 5.199 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)[nH]n1 1819307390 GIXGLOXXKFQVJB-ARMFNRFLSA-N 489.664 5.225 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1819307995 SBPBHHXQPIMORC-PZJWPPBQSA-N 475.618 5.608 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)[nH]n1 1819556918 QCDLTYLRVZAXTE-FQEVSTJZSA-N 491.558 5.441 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)n[nH]1 1821240133 XVVGPOXXGZMKLA-MHECFPHRSA-N 482.588 5.471 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821569164 FMHQLMLWYGKKHB-QVKFZJNVSA-N 451.958 5.129 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)[nH]n1 1821921252 QWVNCQGUPDXFDM-UWJYYQICSA-N 450.583 5.031 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CCC3)n[nH]2)c1 1822315462 ROVSKHBSVGKBDW-RUZDIDTESA-N 481.600 5.028 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cccc4ncccc34)[nH]n2)c1 1823212026 QFWHYZAJSGQWIX-SIBVEZHUSA-N 492.583 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cnccc34)[nH]n2)c1 1823215282 PRKXSUDCEXDOJQ-CJAUYULYSA-N 478.556 5.205 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cccc1C(F)(F)F 1823290665 ZACAGJKADMJADC-OAQYLSRUSA-N 481.478 5.228 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)cc3F)n[nH]2)cc1 1823303888 CIPPMLPLHFNZPK-HXUWFJFHSA-N 486.334 5.347 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)CC1 1823664318 GNCCPTIHONRVEA-RUZDIDTESA-N 461.606 5.343 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1F 1823903681 CRSYOQLTMGNXMV-QHCPKHFHSA-N 467.972 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)CC1 1824452620 XTPQCBBANMRDLD-QKDODKLFSA-N 464.650 5.187 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1824512189 XXDSEAGYPVZPKH-MBSDFSHPSA-N 481.464 5.137 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1824544719 NXZIHKBQGJALKS-UXHICEINSA-N 474.564 5.032 30 20 JKED CC(F)(F)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1824632434 YENWIVUWHYOAAP-FQEVSTJZSA-N 499.524 5.492 30 20 JKED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)CC2 1825126031 CMWODWAUTOYPDP-IUODEOHRSA-N 476.524 5.081 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c(C)o1 1825879480 FEIBCRWRVKGVRJ-QHCPKHFHSA-N 487.522 5.334 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cccs3)CC2)c1 1827080300 TYZIGXNXEPYYMO-OZLRCLKISA-N 461.631 5.322 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)[C@@H](C)S)CC3)c2c1 1827299585 QDRSVVJYKLAYSO-XMSQKQJNSA-N 486.678 5.192 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1828337254 RUFAUSKJZABVKZ-SANMLTNESA-N 490.047 5.106 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(C)nc2C)CC1)c1ccccc1 1829029455 AVZXPPPZWNSHCN-RPBOFIJWSA-N 477.674 5.190 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cnc3Cl)CC2)c1 1829200818 SYBDFJNHLUBEDY-GAJHUEQPSA-N 482.987 5.048 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)CC2)cc1 1830015641 LTKCQRTVVZLSFR-DEOSSOPVSA-N 474.992 5.240 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830596830 MQYNQYFIVPHASN-RUZDIDTESA-N 470.654 5.080 30 20 JKED Cc1ccc2[nH]cc(CC(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c2c1 1830627467 XIMKFUGYYNCFBF-MUUNZHRXSA-N 482.628 5.018 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1830631674 LXXZMONBINUKGE-WDYNHAJCSA-N 481.640 5.183 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)c(Cl)c1 1830723159 GBACEIJHEHQRNM-JYFHCDHNSA-N 476.020 5.175 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccncc34)CC2)c1Cl 1830861084 LWLOTXIKFMYMRA-RUZDIDTESA-N 487.003 5.307 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 1831378446 YQSOVODDEOJWHM-QVKFZJNVSA-N 483.397 5.173 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Cl)c2Br)CC1 1831853056 JEOJKMBIXXJPGF-FQEVSTJZSA-N 479.846 5.139 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cccc2F)CC1)c1ccc(O)cc1 1831924547 RFTGWKIUSHWKGE-BKMJKUGQSA-N 494.582 5.101 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832629182 LLUILLQNLSTONY-BERHBOFZSA-N 489.685 5.728 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)cc2n1 1832630774 MNPUCMYMKQPAGR-UQBPGWFLSA-N 484.600 5.310 30 20 JKED Cc1nc2ccncc2cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832631263 BMQAIMVCWABBRR-PIIWDFAUSA-N 495.627 5.112 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633043 DLWUMMDBXGWOQG-JIPXPUAJSA-N 475.608 5.237 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1832667027 UXYWGFVJBRUUNY-RUZDIDTESA-N 494.035 5.086 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1832690031 BXZZHQAJNODZFH-GOSISDBHSA-N 460.899 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)CC1 1836746567 TVZQYPLWXGHOMG-SANMLTNESA-N 468.682 5.417 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)C2)c1 1845280628 OQAMRJCPPGIWMS-RUZDIDTESA-N 489.497 5.026 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1847531150 DWPRXUZIVPJVRK-QDSKXPNFSA-N 466.025 5.211 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nc2cc(Cl)ccc2c1=O 9085539 HMJMNZZYWGUMEU-SNVBAGLBSA-N 469.781 5.057 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2cc(Cl)ccc2c1=O 9353775 ABGWSHKVDHPLSI-UHFFFAOYSA-N 488.318 5.639 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nnc1-c1ccc(F)cc1 10498301 OHSZZFGFPNBPIZ-UHFFFAOYSA-N 450.511 5.316 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10754773 CCSHSNYKWFGYFT-UHFFFAOYSA-O 458.922 5.288 30 20 JKED CSCc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)oc2ccccc12 14621307 OQJCFZLUDGPYRS-UHFFFAOYSA-N 452.586 5.564 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 14872521 HGFLSDLLEVFAFL-UHFFFAOYSA-O 477.503 6.015 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)c(Cl)c1 15248347 ZKSJYLWGDZCHBR-UHFFFAOYSA-O 494.851 6.094 30 20 JKED Cc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)cc1 17365248 GTFQZEXFAHQOLE-UHFFFAOYSA-N 467.616 5.227 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 21170589 NLMOTEKLBGLWMK-OSPHWJPCSA-N 468.026 5.182 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nc2cc(Cl)ccc2c1=O 21831860 MJUBOFKCDHKANV-QMMMGPOBSA-N 489.853 5.051 30 20 JKED C=CCn1c(SCC(=O)c2sc3ccccc3c2C)nnc1[C@@H]1COc2ccccc2O1 32177314 USGAGOJWAAIMLM-FQEVSTJZSA-N 463.584 5.475 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NCCc2cccs2)nc2scc(-c3ccccc3)c2c1=O 69873003 RNBNJHQJUZLPRH-INIZCTEOSA-N 481.668 5.212 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 105182315 YJDQDCONOBDOIY-UHFFFAOYSA-N 489.503 5.557 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 107806687 LBJKNZILSRCQRX-UHFFFAOYSA-N 468.538 5.298 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c2C)cc1Cl 107881736 WVHREZUGEZIWTL-UHFFFAOYSA-N 474.914 5.456 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 195652852 NFCLSPITPBKLBB-CJNGLKHVSA-N 486.931 6.238 30 20 JKED C[C@@H](C#N)SC1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OC(F)F)cc1 206803940 NBTRKMLRWDUBGH-CPWFCVNUSA-N 468.312 5.984 30 20 JKED CC(=O)N(c1nc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cs1)c1ccc(F)cc1F 209656058 FXRNWAWUWNSQQS-WJDWOHSUSA-N 493.560 6.442 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cl)cc3NC(=O)c3ccco3)c2)cc1 482957297 LAMSPJJKGFWGBE-UHFFFAOYSA-N 457.873 6.102 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccc(C)cc4F)c4c3CCC4)n2)cc1 499575413 QJYAVWVQYUPOEA-LJQANCHMSA-N 472.545 5.431 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@H](Oc3ccc(F)c(F)c3)c3ccccc3)s2)cc1 500122864 JQLFKQTWYZUBBM-OAQYLSRUSA-N 494.548 5.739 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1C 502818010 RDSQDRKBSBHGLT-QHCPKHFHSA-N 493.405 5.057 30 20 JKED Cc1nc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)sc1SCC#N 504832498 VGBRTPOESNAHGH-UHFFFAOYSA-N 496.618 5.185 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 513982794 IHFNJUXVFFXNBP-UHFFFAOYSA-N 484.453 5.224 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 515370927 PDBGAFYTBRETOE-UHFFFAOYSA-N 488.510 5.386 30 20 JKED N#Cc1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)sc2c1-c1ccccc1CC2 515622308 NWERRNSOKWWSGX-GOSISDBHSA-N 476.001 5.530 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccn2)cc1 516528537 OSTHMYBRANLSNU-UHFFFAOYSA-N 495.604 6.367 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)n1 516790451 OUAWETNPAOAUCM-INIZCTEOSA-N 470.934 5.051 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 518189017 PCIRPSGWDOKNCX-UHFFFAOYSA-N 459.546 5.180 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 519879902 QJTOSJULKCSIKG-IBGZPJMESA-N 490.535 5.374 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cc2)cc1 520595213 OOFSWUSOYFATOK-UHFFFAOYSA-N 494.473 5.359 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 520813432 GHLRRJKDCKHWPV-ZDUSSCGKSA-N 459.597 5.546 30 20 JKED COc1ccc(C)cc1-n1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1 521324617 DBCKLZRZBCVTSA-AWEZNQCLSA-N 450.470 5.081 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 521753332 OGTQVPNNCOWGLV-UHFFFAOYSA-N 466.541 5.507 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 521770032 YJQODDOTEUODIP-GOSISDBHSA-N 460.390 5.171 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccccc1Oc1ccccc1 522523641 DMLBYYQPXYLOJV-IBGZPJMESA-N 478.508 5.354 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 561422553 ZZZRCPVDNHSLOV-MRXNPFEDSA-N 498.435 6.232 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 588263957 JMXJOXODRHOAPQ-UHFFFAOYSA-N 466.559 5.111 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)c2)cc1 589831141 VXKYYYKRZZGIML-SANMLTNESA-N 480.589 6.401 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)cc1 590344222 YSECMLQHZVVWIQ-UHFFFAOYSA-N 455.505 5.485 30 20 JKED COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)nc4)CC3)c2c1 603689354 IMZYKLCSNLAALD-UHFFFAOYSA-N 465.513 5.557 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3C(F)(F)F)s2)c(C(F)(F)F)c1 603757263 KFVCSDQPSUGEMU-UHFFFAOYSA-N 455.383 5.895 30 20 JKED N#C[C@H](C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838946 VBNKMGLLJQEMBS-CYBMUJFWSA-N 457.298 5.996 30 20 JKED C[C@@H](c1ccccc1)n1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccccc1 603840740 OIAVLXMBPRTVNL-RDPSFJRHSA-N 470.598 5.152 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(OCc2ccccn2)c1 604361591 CFRUUVHUPMLXPY-UHFFFAOYSA-N 464.525 5.955 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1ccc(OC(C)(C)C)cc1 604444706 YJZXUZHVFBWPFR-UHFFFAOYSA-N 457.530 5.091 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)c3cccs3)cc2)cc1 604464551 FUVXCEUNXMDIHT-DEOSSOPVSA-N 487.968 5.910 30 20 JKED CCOC(=O)c1sc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c(C#N)c1C 604528087 QMYGXPXMTNXQDZ-UHFFFAOYSA-N 478.555 5.186 30 20 JKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 608915591 OGZZMMKOLSDWNY-PMACEKPBSA-N 492.620 5.421 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1 609004617 BTFSNMZHIRRZKO-UHFFFAOYSA-N 479.458 5.156 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2)cc1 609209019 SOKGUFJYQALEJB-VWLOTQADSA-N 486.959 5.984 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)O[C@H](C)C2 609356011 SOUIQGAGYCXOTR-HNKPZJSLSA-N 470.529 5.145 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)cc1 609400319 YHWTTXCDAILUJK-NTKDMRAZSA-N 451.636 5.589 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609436584 AXRZLHMGJSIWDU-UHFFFAOYSA-N 452.514 6.102 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCc1ccco1)c1nc2cc(C(F)(F)F)ccc2s1 613404396 LNNLYAWFEVKONM-INIZCTEOSA-N 458.486 6.690 30 20 JKED CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)C(=O)C2 614888762 NHJKNZDAIQTIAQ-QMHKHESXSA-N 458.967 5.141 30 20 JKED CC(C)Cn1ncc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1C(F)F 622517152 AVHALQDOECUTTR-MRXNPFEDSA-N 499.402 5.728 30 20 JKED O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1nnn(-c2ccccc2F)c1C(F)(F)F 624841994 BRWKLCQKJDZEHO-UHFFFAOYSA-N 475.349 5.306 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 658176862 ZNRHJJDCBBXZQV-GOSISDBHSA-N 483.663 5.165 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N\[C@H](C)c1ccc(Cl)cc1Cl 726396062 IDXXFKOVFKWMBY-KMURUDKCSA-N 490.412 5.025 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(C)C)cc1 726416230 TWXLJAQLPPVXCM-NRFANRHFSA-N 469.994 5.029 30 20 JKED COc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)cc1Cl 726570470 ACLXPTUTIKIGFQ-UHFFFAOYSA-O 473.361 5.190 30 20 JKED CCOc1c(OC)cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726627960 WBUSIGSCKVNFOR-GIJQJNRQSA-N 460.964 5.033 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)N(CCC#N)c1ccc(F)cc1 727561849 NMUGVDHHIKUBNB-CQSZACIVSA-N 457.914 5.095 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)N3c4ccccc4Sc4ccccc43)o2)cc1 728109198 NUYZKIFWWLLNPH-UHFFFAOYSA-N 482.517 5.717 30 20 JKED CCOc1cc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc(Br)c1OC(F)F 728156391 HKAHHGMHJDYVCJ-ZROIWOOFSA-N 492.272 5.192 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(F)c(C#N)c3)c2)cc1Cl 728192399 LFZQIHICZFNVNA-UHFFFAOYSA-N 478.332 5.366 30 20 JKED CC(=O)Nc1cccc(NC(=O)[C@H](OC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C(C)C)c1 728669616 QOYVRZCQLGVCIC-RUZDIDTESA-N 471.513 5.129 30 20 JKED CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCSc2ccc(Br)cc21 728796614 IYISFZTXSYHENY-QGZVFWFLSA-N 466.857 6.230 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c(F)c1 729570917 OIDXVXVBXWAFRR-UHFFFAOYSA-N 458.493 5.046 30 20 JKED COc1ccc([C@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](C)n2cccn2)cc1 729802052 FDPLLGRFBWYLIP-AVRWGWEMSA-N 457.486 5.095 30 20 JKED CN(C(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1)c1ccccc1 729890298 YAZFSFFSFVUPIV-LJQANCHMSA-N 466.324 5.231 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C2CCC2)c1 730462038 VENUKJLUEGQHGQ-NRFANRHFSA-N 485.009 5.120 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2cocn2)c1 730711368 DBBZEMYWPXCISM-LJQANCHMSA-N 488.491 5.162 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2ccccc2Cl)n1 730995463 RSAFKJNZNKEXNP-UHFFFAOYSA-N 450.873 5.803 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731307425 RXRWOALLRPZFAF-OAQYLSRUSA-N 465.962 5.206 30 20 JKED COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 731345496 YQQISRZGVPHSBU-UHFFFAOYSA-N 493.519 5.872 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc(OC)c1OCc1ccccc1 732765277 XPOPACLAYQUMGW-UHFFFAOYSA-N 480.977 5.366 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 743524967 NJRBAUSVXZZFNR-QGZVFWFLSA-N 466.365 5.564 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cc1 747695724 NTDRVMJBJCGYQH-XMMPIXPASA-N 466.509 5.672 30 20 JKED N#C[C@H](C(=O)[C@H](c1ccccc1)n1cccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 750668042 MWJWSSZNUOZLRL-XLIONFOSSA-N 453.354 5.779 30 20 JKED N#C[C@H](C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1nc(-c2ccccc2)cs1 807850081 HZVNXWPUHXMBMT-CQSZACIVSA-N 452.542 5.297 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1C1CCN(C(C)C)CC1 837284094 DRXFIUBPVHDZPC-QHCPKHFHSA-N 496.652 5.276 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)cc1 837519258 ODEHKUWGYSGZRZ-SBUREZEXSA-N 472.570 5.006 30 20 JKED Cc1c(-c2nc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)no2)cnn1CCC#N 904669881 STPRVKZDDKCRSL-UHFFFAOYSA-N 474.830 5.682 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1 912804390 KCXJTFATHUSQCH-UHFFFAOYSA-N 451.533 5.151 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(-c2ccc(Br)cc2)s1 912832202 YYFDISVAJSOSED-UHFFFAOYSA-N 463.426 5.031 30 20 JKED CC(C)OCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc(Cl)c1 914546614 HYVPZPHDVGUQGH-JOCHJYFZSA-N 486.037 5.065 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2n1C(F)F 915105164 ZKXWWJNHPVHKOC-CQSZACIVSA-N 475.282 6.202 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2sccc2Br)cs1)c1ccc(F)cc1F 915113465 QWLTYCMIHDGTIN-HWKANZROSA-N 469.332 5.826 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=S)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 916013113 MLKVLSMRLZWODD-UHFFFAOYSA-N 478.641 5.631 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccc3)C2=O)c(OC)c1 916211123 AMSRIHAEOGCLRV-DEOSSOPVSA-N 489.597 5.173 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCc1ccccn1 916216787 YUOBRTDKECXPFF-QHCPKHFHSA-N 493.032 5.555 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1 916883007 FDJOCHNHAVKSDE-AWEZNQCLSA-N 463.556 5.385 30 20 JKED COc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977133 KWPMWWHTMDAZRZ-SFHVURJKSA-N 481.990 5.021 30 20 JKED C=CCN(C(=O)c1sc2ccccc2c1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 917370495 SGSMINVEBXIARH-UHFFFAOYSA-N 489.043 5.915 30 20 JKED CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 918306643 BXSXQJBCEFBPDE-DEOSSOPVSA-N 474.992 5.049 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cccc2c1=O 918626775 MSDBOKZPMVDDNK-UHFFFAOYSA-N 476.454 5.845 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cc(C)on3)C2=O)c1 920353889 VXCAODQAKXATDJ-QFIPXVFZSA-N 462.575 5.069 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccc(F)cc2)no1 920355225 MIFCMBNLMAAQPT-QHCPKHFHSA-N 488.544 5.436 30 20 JKED CC(C)N(C)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1F 920739931 IHAZITHDYXMQDO-UHFFFAOYSA-N 476.577 5.525 30 20 JKED CCOc1ccc(NC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(C(F)(F)F)c1 920785077 GBBQMCAOBJMIRN-UHFFFAOYSA-N 483.359 5.154 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c3ccccc3n3ccsc13)C2 1779272659 MUOFVRIBSMWFRD-QHLUZPDOSA-N 491.657 5.050 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(C)c3ccccc13)C2 1779274687 FILOLMYEVRUTRY-BOBPPRSMSA-N 488.672 5.363 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3)CCC2)ccc1F 1785784754 BFIGBKQDJAYFHM-UHFFFAOYSA-N 494.526 5.343 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)F)c4)cc3)CCC2)c1 1787018863 WVSRDGCEEPVCCI-UHFFFAOYSA-N 464.447 5.091 30 20 JKED CCn1c2ccccc2c2cc(C(=O)NC3(c4ccc(NC(=O)CC#N)cc4)CCC3)ccc21 1787647313 BMCWLOKKKCFCMY-UHFFFAOYSA-N 450.542 5.476 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)cc4Cl)CCC3)cc2)CC1 1787881853 XMCOJLPYERSQRF-UHFFFAOYSA-N 461.871 5.410 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)c1 1788362605 RCJDJUWXLDAKAW-UHFFFAOYSA-N 475.552 5.318 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)CCC1)c1ccc(O)cc1 1788435285 QOPKCBBZPBIMBX-NRFANRHFSA-N 492.579 5.213 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1788790019 KGGIEWKOSCANNZ-UHFFFAOYSA-N 497.473 5.305 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=C(C)CC3)cc2)CCC1 1789114528 OBWFVYJOXOACTC-GVNDJSPXSA-N 493.648 5.336 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4cccn4)nc3)CCC2)cc1 1789508096 LDMRKOIIPGNGNS-UHFFFAOYSA-N 499.691 5.066 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3ccnc(C)c3)cc2)CCC1)c1ccc(O)cc1 1789752879 URMZQZNFTSYRBS-JOCHJYFZSA-N 467.569 5.041 30 20 JKED Cc1ccccc1NCC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790081800 OYQBBZPKWIPLMC-UHFFFAOYSA-N 472.976 5.380 30 20 JKED Cc1cnc(Cl)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)c1 1790706293 XRVKRHFOTCUFLS-UHFFFAOYSA-N 458.949 5.171 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5C=CS[C@@H]54)CCC3)cc2)cc(C(F)(F)F)c1 1790787917 WJZIGFGTRCMXEH-NJYVYQBISA-N 483.515 5.200 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)CCCOc3cccc(Br)c3)CCC2)cc1 1791570618 OGNYNZIKHRBNAC-INIZCTEOSA-N 491.451 5.061 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CC45CCCN4CCC5)CCC3)cc2)c1 1792124726 FKGKGRRYUZEGHC-NRFANRHFSA-N 470.617 5.080 30 20 JKED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2scc(-c3ccccc3)c2[nH]1 1798460232 PBZFQVKMGLCZPR-IRJINJETSA-N 491.657 5.092 30 20 JKED CC(C)(C)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C/N=C/c2ccco2)C3)cc(C(C)(C)C)c1 1800556178 ULRKBRZZYJZTDT-IEHVHWBWSA-N 477.649 5.246 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C\c2c[nH]c4ccccc24)C3)cc(C(F)(F)F)c1 1800739768 RIARRCQZBXAMGJ-OBDVZOJMSA-N 492.501 5.024 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1803077487 LZHRYSYFGPSHSJ-QPPBQGQZSA-N 474.630 5.088 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1803084515 RAWPHVDILAYFQS-LVXARBLLSA-N 489.019 5.371 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)C4CCC(C(F)(F)F)CC4)CC3)C2)c1 1805324385 YNLACGYGSDVHFP-UHFFFAOYSA-N 489.582 5.091 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccnc3C(C)(C)C)[C@H]2c2cccnc2)c1 1807784636 HJCIEFFRFLMXPS-UGIARPQZSA-N 495.627 5.035 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]1c1cccnc1)c1ccccc1 1810446509 OEZZBZABNGQLMY-SLSDLSHTSA-N 492.044 5.313 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1811790045 HRYHFYVQWLAUAC-GVQBMFDGSA-N 480.612 5.103 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1812514928 GUPUDYZFVFWKAK-MZYLBHOOSA-N 489.994 5.392 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@H](c3ccc(F)cc3)C(C)C)[C@@H]2c2cccnc2)c1 1812961961 XTOBJKKJHBOVPI-KGPYPHOUSA-N 498.602 5.160 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)[C@@H]1c1cccnc1 1813231840 YOKONRIAPFGMDO-BHBYDHKZSA-N 497.614 5.325 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCCC[C@H]1c1cc(NC(=O)C23CC(F)(C2)C3)n[nH]1 1815288953 VWSSMVWUCMYTSE-NXGPHGMSSA-N 482.559 5.008 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCCC2(F)F)n[nH]1)c1ccc(O)cc1 1815353130 OOHVCYAXDULOBY-XKCSPQBFSA-N 498.574 5.130 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1818145077 UESBUWBRSXIYGN-JOCHJYFZSA-N 498.518 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)[nH]n1 1819302934 OWTFJRQIBOOZGO-BZWMRVRASA-N 466.548 5.539 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)[nH]n1 1819304029 XEBBDRXMZZMJNO-MAUKXSAKSA-N 464.488 5.404 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1 1819386901 OHLGSZDWEZZEFM-XMMPIXPASA-N 487.680 5.315 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)c3ccc(Cl)cc3)[nH]n2)c1 1820206496 WFUGHOUMLVVIJT-MWTRTKDXSA-N 491.979 5.053 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)c1 1820231256 NHQBRURDFWIZAE-NRFANRHFSA-N 473.920 5.301 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)cc1 1821182708 YPNUZULHKPXSAO-NRFANRHFSA-N 487.560 5.449 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)n[nH]1 1821339045 CQXXYDIXUYLKJW-HXUWFJFHSA-N 491.419 5.613 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc3ccccc3o2)n[nH]1)c1ccccc1 1821404953 KRAJJIWSCXFBGX-OFNKIYASSA-N 481.556 5.054 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc5occ(Cl)c5c4)sc3C2)c1 1821437669 GXZJWAJUDXEEHR-CQSZACIVSA-N 494.935 5.093 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccc(Br)cc3n2)[nH]n1 1821921199 OFVOBJNLJDWGPH-BTYIYWSLSA-N 496.409 5.239 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(Br)c(F)c2)[nH]n1 1821926860 XXOINYRDWBHHOP-QRWLVFNGSA-N 491.405 5.148 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823216758 NRSHJXSEFORUGB-CPJSRVTESA-N 469.589 5.284 30 20 JKED Cc1ccc(OCCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1823948850 WVPIVIFPWTZYCT-QDPGVEIFSA-N 487.644 5.325 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)CC2)cc1 1824822730 KIDJQZUFVYZWTM-QDBZKISHSA-N 491.582 5.102 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccs3)CC2)c(Cl)c1 1825313542 KKFOINHNDGMULJ-QHCPKHFHSA-N 470.038 5.139 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)cc1C 1827684081 UPWJFGJYSLVLJL-ZUTVHTERSA-N 494.657 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)ncc2F)CC1 1827851789 GMUOYPGJVJUVTA-HXUWFJFHSA-N 494.449 5.209 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1827854566 KGSIWLNOYGANFI-NRFANRHFSA-N 473.495 5.026 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1828415186 MLXNVCTUEYXTKN-BVAGGSTKSA-N 489.582 5.028 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)c1 1828512390 AEOYTCILOCQQAA-AREMUKBSSA-N 490.554 5.173 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1828827297 KRBVWDPAFBMIJD-VXNXHJTFSA-N 489.701 5.068 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1828827394 WRAOBWFSKOEXSZ-AZGAKELHSA-N 499.655 6.430 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(OC)ccc3o2)CC1 1828827970 APOBDTWESVWCGO-DNQXCXABSA-N 464.606 5.443 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828903574 JDLPBDLELYGBRJ-AREMUKBSSA-N 483.773 5.235 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 1828903600 JKSPIVBRGCVJOR-PKTZIBPZSA-N 480.716 5.483 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCNc3ccc(C)cc3C)CC2)c1 1828984779 OPCWUZRXEBFCTL-NDEPHWFRSA-N 486.660 5.219 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCn2cccc2)CC1)c1ccccc1 1829036148 ZSCOPSJMZKXKDJ-IZLXSDGUSA-N 473.661 5.085 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccc(F)cc2)CC1 1829068466 YAENCNPILYHWIH-DEOSSOPVSA-N 458.618 5.207 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CC1 1829565424 VHUSIVPIKVJXST-VWLOTQADSA-N 480.612 5.143 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(Cc4cccc(F)c4)c3)CC2)c1 1829781504 VFSXIBRLLBMKRU-NDEPHWFRSA-N 498.602 5.163 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1830416620 KPZFSAQNCLPYQW-KKSFZXQISA-N 468.425 5.028 30 20 JKED O=C(Cc1cscn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601614 GOKVMRRJHFOHMR-NDEPHWFRSA-N 497.664 5.019 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1830719034 UBSZYXQMYWGWHL-QHCPKHFHSA-N 487.497 5.263 30 20 JKED CCC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)n1cccc1 1830721326 GUSBCMDTVYLRGU-LOSJGSFVSA-N 481.040 5.288 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sc(C)cc4[nH]3)CC2)c1 1830770204 PGGVFIZHEKWLHP-XMMPIXPASA-N 474.630 5.265 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1831371611 WYRWKZMRLTUQBH-LVXARBLLSA-N 461.650 5.351 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 1831373861 UXACTDCVGDXMIH-GMAHTHKFSA-N 489.701 5.046 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC=C(C)C)CC1)c1ccc(O)cc1 1831926693 WTJNPYNNAYKDPO-XNMGPUDCSA-N 464.650 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1832925123 VALBMABHRPXILL-DNQXCXABSA-N 489.701 5.022 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1)c1ccccc1 1837685053 GRVTVAHKIMCYKC-DFHRPNOPSA-N 487.644 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4cccc(C)c4[nH]3)CC2)CC1 1838310096 LWCFHNJZTURZGM-UHFFFAOYSA-N 465.638 5.081 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC1CCC(c2ccnc3ccc(F)cc23)CC1 1847826654 GFSHWITUEXJQMY-GHDKJIDQSA-N 497.680 5.194 30 20 JKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1ccccc1OC 10242590 WYDPPFKBCDPWET-UHFFFAOYSA-N 453.593 5.414 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 11196845 RVHWPEOETXSDRZ-QMHKHESXSA-N 453.999 5.123 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2cccc(O)c2)cc1 11262843 DMPUOLGOFWVWDF-UHFFFAOYSA-O 470.412 5.617 30 20 JKED COc1cccc(-c2nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)c1 11462324 VCCHYKOATFTVDJ-FYSMJZIKSA-N 484.025 5.131 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)Cc2csc(-c3cccc(Oc4ccccc4)c3)n2)cc1 17144459 CABVGCVYLFLRNQ-UHFFFAOYSA-N 483.549 5.393 30 20 JKED COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccc(CC#N)cc2)CCC(=O)N1c1ccc(C)cc1 17368431 GQRNLQSASARKRC-SHQCIBLASA-N 453.542 5.193 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1ccoc1C 21140656 RXFIRXMNTAVAAV-NRFANRHFSA-N 472.614 5.742 30 20 JKED CCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2cc(Cl)ccc2c1=O 22062728 JCYOGHIEJRAMMB-LBPRGKRZSA-N 473.023 5.001 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(C)cc1)[n+]1ccc(Cc2ccccc2)cc1 22685969 MVZLLJOBTJUQNM-UHFFFAOYSA-O 467.614 5.933 30 20 JKED C=CCn1c(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)nnc1-c1ccc(OC)cc1 23554354 DIKVCTZDDOOGEA-HUUCEWRRSA-N 493.658 5.416 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23603293 YKDJNKGSMFLXBE-UHFFFAOYSA-O 468.646 6.178 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc2ccccc2c2ccccc12 26037264 AFIJXAXIDOVLJI-UHFFFAOYSA-N 456.546 6.176 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1[C@H]1COc2ccccc2O1 26433705 GJQMAFJUQLGPRR-OXJNMPFZSA-N 461.547 5.188 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(-c2ccco2)nc2ccccc12 28663007 RUJNSLUCVUYUSP-KRWDZBQOSA-N 458.543 5.326 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(C)c2)cc1 28793418 VWSFUPLSBWCILG-UHFFFAOYSA-O 476.666 6.385 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)N2CCCC2)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 107774449 UURFDEZPCWIQOK-UHFFFAOYSA-N 493.460 5.564 30 20 JKED CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccccc1SCc1ccc(C#N)cc1 215758391 JQNOPKLPGOSOOF-UHFFFAOYSA-N 465.525 5.230 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 255935835 YVQHKJRUHGLGNJ-CQSZACIVSA-N 477.417 5.416 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 409923617 QFASJXYHIZCUBR-LJQANCHMSA-N 494.638 5.440 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1 490711413 VISQUVBCZAAELI-UHFFFAOYSA-N 487.563 5.992 30 20 JKED COc1ccc(N(C[C@H](C#N)CCC#N)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 494009581 APTDGVZREKFZQT-AWEZNQCLSA-N 471.888 5.006 30 20 JKED O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 494021736 ZFRMDTVAVDSNMF-UHFFFAOYSA-N 458.293 5.443 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)s2)cc1 500127512 WACVIVDYFAEZEH-UHFFFAOYSA-N 488.476 5.023 30 20 JKED O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccccc2F)c1C(F)(F)F 505461688 SXPYWMKJEYJSJC-BLLLJJGKSA-N 457.349 5.335 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c1 508952054 SNDIJMZGVAGVDC-UHFFFAOYSA-N 459.933 5.279 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 510266069 ACVMOLOPHNRLGI-UHFFFAOYSA-N 474.319 6.085 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 510613417 GMVQLNCKFXLZRH-GOSISDBHSA-N 454.530 5.890 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N2CCCC2)c1 511317972 ABLBIIBFDWJQIW-MUUNZHRXSA-N 484.600 5.299 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)nc2ccccc21 512567229 YHYIWLNPPFOYPZ-UHFFFAOYSA-N 488.560 6.675 30 20 JKED Cc1ccc(C)c(OCc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)c1 514486918 RFDZYOHMQLEUQD-HNNXBMFYSA-N 482.631 5.444 30 20 JKED Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)nc2c1 516069663 AMDIAXQSGSKDQZ-UHFFFAOYSA-N 494.624 5.610 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(-c4ccccc4F)c4c3CCC4)n2)cc1 516269863 AYOBGOUZZZHPQJ-SFHVURJKSA-N 458.518 5.122 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1ccccc1SCc1ccc(C#N)cc1)O[C@@H](C)C2 517404945 ZNINRAXEOOVDNE-WYRQLCSISA-N 484.621 5.859 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 517966936 XWIQASBEGBLCAJ-UHFFFAOYSA-N 490.844 5.672 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 518143628 PDMCJILVDDTSQG-INIZCTEOSA-N 494.414 6.205 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 518148436 VZZPUSTWHFDBLW-UHFFFAOYSA-N 481.503 5.756 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 518515490 QRSQMVCOFOKXSF-QHCPKHFHSA-N 493.544 5.105 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(Br)cc3)n2)nnc1-c1ccc(F)cc1 518791707 WFNKEYIIUUFXBI-UHFFFAOYSA-N 471.355 5.980 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 519066330 KHOWCSNOHZUWGY-FQEVSTJZSA-N 472.564 5.560 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc(-c2c(F)cccc2F)cs1 520427315 CLNVFMUFGWTJMH-GFCCVEGCSA-N 463.490 6.448 30 20 JKED C=CCn1c(SCC(=O)N2CCC(CN(C)C(C)C)CC2)nnc1-c1ccc(Cl)cc1Cl 521231690 FZMSNZHUJFNQDK-UHFFFAOYSA-N 496.508 5.109 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 521748564 WZQZNGXRSRZCBW-CYBMUJFWSA-N 451.379 5.348 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 521800672 QPRUUJLWCIKPDJ-AWEZNQCLSA-N 473.429 6.371 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1 522391928 BZCKPRXFTDBFEH-IBGZPJMESA-N 486.597 5.409 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1Cc2ccccc2-c2ccccc2C1 523611673 PYAGEHQNTMIQIL-UHFFFAOYSA-N 477.358 5.308 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(OC(F)F)cc1 523811836 FHNWYJOWLJUDPO-KRWDZBQOSA-N 453.464 5.772 30 20 JKED CCCCN(C)CC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 524438001 JKZFSBYDNOPVAG-UHFFFAOYSA-N 469.029 5.766 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1Cl 604084948 MROMIOQPHZUHLV-XMMPIXPASA-N 495.970 5.964 30 20 JKED N#C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccc(OCc2ccccc2)cc1 609028517 ATSWVWBWVDIZSW-OAQYLSRUSA-N 455.739 5.676 30 20 JKED N#CCn1c(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cc2ccccc21 609343642 MSAKCCFOZICFFS-UHFFFAOYSA-N 487.357 5.110 30 20 JKED CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 609378312 CJPHPBDIGGMEDS-UHFFFAOYSA-N 456.511 5.146 30 20 JKED CC[C@H](C(=O)N1CCC(NCc2cccc(OCc3ccccc3C#N)c2)CC1)c1ccccc1 609433422 ZDQUYZHZXBTHOV-LJAQVGFWSA-N 467.613 5.412 30 20 JKED CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 609434501 RNBYYFMALQWFCL-LJQANCHMSA-N 492.601 5.264 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc12 613401835 OVNHVHCYRJDQHP-MRXNPFEDSA-N 495.942 6.343 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2ccccc2)c2c1CCC2)c1nc2cc(C(F)(F)F)ccc2s1 613404674 PJPDJDWRRKKQSO-INIZCTEOSA-N 452.461 5.480 30 20 JKED C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619385819 LFXWWRQCWQGWTL-IJLUTSLNSA-N 466.344 5.245 30 20 JKED C=CCN(C(=O)C1CC(c2cccc(F)c2)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 624066051 IBMAWPVYZABHFX-UHFFFAOYSA-N 470.591 5.066 30 20 JKED C=CCOc1c(Cl)cc(CNc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1OC 630054658 CMEXTQJQTKSAQM-UHFFFAOYSA-N 452.938 5.786 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(OC)cc1 685006915 HWDSMLKCBGMMKL-CQSZACIVSA-N 462.497 5.278 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)CCc2ccc(Cl)c(Cl)c2)nc1C 725882540 XCMKTVJELHUJKU-UHFFFAOYSA-N 454.408 5.063 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccccc3)C2=O)cc1 726422272 WARSLCZMZHBCDL-XXKPTPLRSA-N 491.638 5.541 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(OC)c(Cl)c2)cc1 726570758 KVPCPWPHTFBOEU-UHFFFAOYSA-O 499.443 6.437 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 728118699 BEMBGVXWLNULBB-QHCPKHFHSA-N 485.462 5.199 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C#N 728425442 NFBXPHHJRQLTGH-GAJHUEQPSA-N 499.621 5.083 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1CCCCC#N 728780368 RVVJQNDQCJEQOW-HSZRJFAPSA-N 476.602 5.106 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 729889786 UNPXZMCBAQIAHZ-JOCHJYFZSA-N 484.943 5.091 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 730689998 OYYFPTRQVLEEMW-OPAMFIHVSA-N 469.850 6.220 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730717560 ONONIABIQVWYEI-IBGZPJMESA-N 489.384 5.450 30 20 JKED CCOC(=O)c1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 730954761 JYIIDYNMURWAAY-UHFFFAOYSA-N 453.511 5.697 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 731068885 DBVJFTALTVQOPE-SIFUEBAJSA-N 465.962 5.335 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCCC1 731076185 YSKVLXOLFQYCLF-SFHVURJKSA-N 454.567 5.461 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 731076924 DNTPZKVPKWRRRL-OLMNPRSZSA-N 473.392 5.129 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 731288528 TYRPKHKHUGVQOC-WBVHZDCISA-N 457.477 5.044 30 20 JKED CN(c1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1)C1CCCCC1 743414121 LKWMECHDDGBTLT-MUUNZHRXSA-N 480.612 5.366 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2cc(Cl)cc(Cl)c2O)c1 744767163 ZHDGNSJYQIZLFD-UHFFFAOYSA-N 451.379 5.472 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3cscn3)C2=O)cc1 747598839 FINARXJLMHWLGX-OAQYLSRUSA-N 480.615 5.011 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)O[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 748491478 SXQQYPGKGMPDTJ-HSZRJFAPSA-N 453.947 5.364 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 749049443 RVWSBBSHAPPZBY-LJQANCHMSA-N 497.942 5.552 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cc2csc(-c3ccc(F)c(F)c3)n2)c1 750165001 KMISEAIQGJWXAQ-KRWDZBQOSA-N 483.540 5.126 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c1 799217763 VWTHIDNXFKPRCX-KRWDZBQOSA-N 471.451 5.104 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)cc1OC 834875082 TVIIXVWFZFWRQT-BAQGIRSFSA-N 493.943 5.206 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 837347342 WRKSTPURFIFYBH-WZONZLPQSA-N 474.586 5.120 30 20 JKED N#CC(CCOC(=O)c1nccnc1-c1nc2ccccc2s1)(c1ccccc1)c1ccccc1 912958568 CAVKIHCMSIOADC-UHFFFAOYSA-N 476.561 5.810 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2ccccc2OCc2cccnc2)cc1 915946591 NMMFXUKZTMEWAE-UHFFFAOYSA-N 473.602 5.300 30 20 JKED COc1cc([C@@H](C)/N=C/c2cc(Br)cc(Br)c2O)cc(OC)c1OC 915980018 WPUPEEYJRWMPPY-PRMNVEQPSA-N 473.161 5.123 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)c1 916205866 SVMYXLFBRGMUBI-RUZDIDTESA-N 486.641 5.518 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(C2CC2)C1=O 916209556 NFTNHRLHPBXCCF-SFHVURJKSA-N 464.374 5.125 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)C(=O)Nc2cccc(OC)c2)cc1 916895073 WPTMWVURPAPUPI-DEOSSOPVSA-N 467.525 5.132 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Br)s1 916897091 IMEYGLYZYNWQOX-GOSISDBHSA-N 499.386 5.368 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)s2)cc1OC 916915621 GKTPNZDTOQYPIP-LJQANCHMSA-N 471.538 5.250 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 916935075 YDPXXVHGMGGYEU-OAHLLOKOSA-N 459.449 5.107 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916938491 LMNMMNFAFDVDMK-MRXNPFEDSA-N 477.801 5.646 30 20 JKED N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1 917508027 HSQHTPIJQDMRJW-QGZVFWFLSA-N 456.354 5.642 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C(C)C)cc2)n1 917667462 UDWTZLNTLMMEDU-QHCPKHFHSA-N 473.602 5.069 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(Cc2cccc(OC(C)C)c2)C1=O 917679893 XBSKFLBVIJOPAX-IBGZPJMESA-N 480.417 5.048 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(C#N)cc2)C1=O 917683502 XZLPCZNGBMEIAL-DEOSSOPVSA-N 484.581 5.036 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc2ccccc2c1 917699018 PTVQBBHIVMVOPD-XMMPIXPASA-N 471.582 5.222 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)SC2=Nc2ccccc2C#N)cc1 917699501 IYKQFUYUEFAGPG-RUZDIDTESA-N 497.624 5.093 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 917798142 QMVTVZQWDBZFKA-WIOPSUGQSA-N 473.598 5.095 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)C4CCOCC4)c3C#N)C(C)(C)C2)o1 918041699 QZGDJRQLFGMOSO-ALCCZGGFSA-N 480.586 5.208 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 918169249 CPKTZCFKFRBNIM-ACCUITESSA-N 450.510 5.246 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2cc(F)c(F)c(F)c2F)cs1 919220156 IRZMTBKWEQKZMC-UHFFFAOYSA-N 492.372 5.760 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@@H](C)c2ccc(C)s2)C1=O 920168056 HXJUHEWDTCLAFI-ZBEGNZNMSA-N 456.420 5.192 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 920354199 AKYQHILBNWVORP-OAQYLSRUSA-N 482.993 5.414 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4cnnc4)cc3)CCC2)cc1 1785841969 IDIXJTVMILUVIT-UHFFFAOYSA-N 457.578 5.007 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cccnc3S)cc2)CCC1)c1ccc(O)cc1 1785846492 WXKFFZIXAWFUKD-FQEVSTJZSA-N 485.609 5.021 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCc5ccoc5C4)cc3)CCC2)c1 1786218304 WBVKRMZRTSNWPL-CVDCTZTESA-N 467.569 5.459 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3COc4ccccc4O3)cc2)CCC1 1786309246 IYSFJTDONKYSJZ-PKTZIBPZSA-N 460.574 5.119 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)CCC2)cc1 1786366764 QJIQNTAUNQPPAB-VGOFMYFVSA-N 487.600 5.307 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(F)cnc4Cl)cc3)CCC2)c1 1789719108 SICQXFDLWVEAFI-INIZCTEOSA-N 476.939 5.563 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)c(Cl)cc4F)CCC3)cc2)c1 1790148191 DDAQTXHLCNZVMW-UHFFFAOYSA-N 471.319 5.394 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C(F)(F)F)c4)CCC3)cc2)c1 1790149247 YQIGHHUEOFILTJ-UHFFFAOYSA-N 484.453 5.035 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4cc5cccnc5cc4F)cc3)CCC2)cc1 1790476911 JWDXKQKWNRTOGN-UHFFFAOYSA-N 492.554 5.430 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Br)c3)cc2)CCC1 1790661384 RMSSPBKPDXEYSN-UHFFFAOYSA-N 460.759 5.154 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ncccc45)CCC3)cc2)cc1 1790707323 JQMNSXBDXBZMEW-UHFFFAOYSA-N 460.537 5.362 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c(O)c1OC 1790721579 YUBUJYZAZHXXCU-SFHVURJKSA-N 499.567 5.098 30 20 JKED Cc1nscc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790763925 GQNQXCUVHDVAFQ-UHFFFAOYSA-N 450.951 5.038 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc5oc(-c6ccccc6)cc5[nH]4)cc3)CCC2)CC1 1790948005 RAZIWBOLACHNOS-UHFFFAOYSA-N 464.525 5.479 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791252140 INUOAQWLZCGJTQ-NFQMXDRXSA-N 483.653 5.370 30 20 JKED C#CC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccc(OCc5ccccc5)cc34)cc2)CCC1 1791498040 FXBDUTZSTQGDNK-UHFFFAOYSA-N 477.564 5.057 30 20 JKED COc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)c5cccc([C@@H](C)C#N)c5)cc4)CCC3)[nH]c2c1 1792123818 QZYPPHRRUGVZQN-IBGZPJMESA-N 492.579 5.865 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1SCc1ccccc1)C2 1798333695 FHZZASRJAGKWOO-KIHHCIJBSA-N 475.658 5.394 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C)C2 1798340356 VHUXHVPRLXYHPW-KAOXLYBCSA-N 495.664 5.671 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)c1ccccc1n2CC)C(F)(F)F 1799317251 ZJPQFZZZXRUYSD-REPLKXPHSA-N 469.507 5.185 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccc(Br)cc3s1)C2)C(F)(F)F 1801701430 HQSSRJFUIQXXDG-QDMKHBRRSA-N 487.341 5.034 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 1802494610 DFOXSXFTMXETPF-UGKGYDQZSA-N 474.432 5.700 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1802494668 FUZZNVOWWVSCAF-LADGPHEKSA-N 488.657 5.517 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1802629727 QHPGPOZZINLBPJ-NUNAXRQHSA-N 455.602 5.260 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1803116654 HOILFIOFRJEZLQ-ZEQKJWHPSA-N 465.613 5.242 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)cccc1C(F)(F)F 1803839714 AAIYOZWDHQXULM-KQLYMOGASA-N 469.507 5.207 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)C3CCC(F)(F)CC3)C2)CC1)c1ccccc1 1805757300 TYALXRHFFLSEHT-DEOSSOPVSA-N 470.604 5.240 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccc3ccccc3c2)[C@@H]1c1cccnc1 1807893170 UDSKNQGIYXQFPD-YZNIXAGQSA-N 488.591 5.030 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)CCc4ccccc4)C3)CC2)cc(C(F)(F)F)c1 1809087513 WGFTWUWISWHTPJ-UHFFFAOYSA-N 483.534 5.055 30 20 JKED Cc1cccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)[nH]c12 1809748666 VOQXPMFGNKYFFI-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1810501572 JWBWQVGHKUJAFP-NHHIYNKISA-N 484.644 5.583 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)[C@H]1c1cccnc1 1810503691 UGSLMEYMCOBSGN-YVCITRLUSA-N 485.550 5.211 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)[C@H]1c1cccnc1 1812592659 YFMPXLBEOMJOEI-HTLVZCCDSA-N 492.623 5.533 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1812676424 UAUBSCHTMBUDHZ-RPBOFIJWSA-N 475.539 5.280 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1)C(F)(F)F 1812683295 LJJWEORDHIQRQD-QPPBQGQZSA-N 495.501 5.312 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1812791945 JVOAPTVPIGHOOS-YWCVFVGNSA-N 495.784 5.601 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)[nH]n1 1814442927 AXXMZYCPPUGTTN-OAQYLSRUSA-N 469.536 5.468 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c1 1814738832 GLRVMQHNELNDKL-RQOTYCFOSA-N 459.594 5.043 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)[nH]n1 1814829490 SDHIGBFYHQYJKZ-JOCHJYFZSA-N 459.550 5.139 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1815206748 CVKOXIQKEPKVFY-DEOSSOPVSA-N 487.604 5.069 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3Cl)n[nH]2)cc1 1818745106 CSNPFBAYMZTPDN-HSZRJFAPSA-N 486.963 5.230 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)[nH]n1 1819309391 UFVNIEKBCOQWKF-OXQOHEQNSA-N 451.596 5.335 30 20 JKED Cc1ccccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1820474880 DOFUTGROTQHOQE-OAQYLSRUSA-N 481.478 5.228 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821203211 DYROEHVWULDVLV-HNNXBMFYSA-N 475.298 5.373 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821272201 GYMFDLGBKUXUGI-QFIPXVFZSA-N 498.518 5.004 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccoc3cn2)n[nH]1)c1ccccc1 1821376295 IVJZJQHMROEKSC-URXFXBBRSA-N 481.556 5.054 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821569165 FMHQLMLWYGKKHB-VFNWGFHPSA-N 451.958 5.129 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[nH]n1 1822395986 KQNUGEUSRCBXFO-HXUWFJFHSA-N 473.404 5.244 30 20 JKED Cc1ccc(C)c(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823216138 CKIIEBQINXTSMN-CJFMBICVSA-N 469.589 5.202 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(C)c1 1823218192 PTDFAJMUYTXENY-YADARESESA-N 455.562 5.273 30 20 JKED Cc1cc(F)ccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1823317053 AOFKSJQLRHRHPF-GAJHUEQPSA-N 459.525 5.104 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3SCc3ccccc3)CC2)C1 1823702142 HOKXHSNKTVYEMC-AREMUKBSSA-N 489.685 5.573 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sc(N)nc3c2)CC1 1823753017 RXPPVEJHRDIJJN-NRFANRHFSA-N 468.667 5.104 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1 1824051687 XNKXPMIITPKCRB-SANMLTNESA-N 496.026 5.146 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1824144016 ZAGLWOHGLSBTOB-DNQXCXABSA-N 489.701 5.068 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1824387620 MBNHNYAPGCFVAW-BCQCSXDESA-N 489.685 5.728 30 20 JKED CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1 1824421840 JQNHISGPCGJDLP-CVEARBPZSA-N 490.585 5.069 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1824502537 MWJWLDYNXNTEDE-MUUNZHRXSA-N 491.676 5.310 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](S)C(C)C)CC1 1824540374 HXTVCCSAQFTXNC-WMZOPIPTSA-N 487.529 5.007 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(OC)c(C)c2)CC1 1824803067 IFTLLXXEBFMXML-DEOSSOPVSA-N 454.655 5.158 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(C)nc2C)CC1)c1ccccc1 1825866354 IAOQLEQJFIIBJK-LOSJGSFVSA-N 477.674 5.190 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCC3CCCC3)CC2)c(C(F)(F)F)n1 1826269676 QEJMRXXZCJTGRY-QFIPXVFZSA-N 490.570 5.176 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)c1 1826399879 FVPOXOJTVOGHMK-WVXBCFDCSA-N 493.651 5.943 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)c1 1826500245 PGAAIHBVAIYBDF-SANMLTNESA-N 478.036 5.007 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)cc3)CC2)c1 1826504178 ZOQCKRZBOJGYRW-FNZWTVRRSA-N 478.036 5.443 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(Cl)s2)CC3)c1 1827693553 JMWKDPGORTYMQM-SWLSCSKDSA-N 471.007 5.025 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1827921792 LUXYCONZLRFRST-RUZDIDTESA-N 484.625 5.229 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1828154115 RYLLLESEGHKNNL-SANMLTNESA-N 489.019 5.549 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(N(C)C)c4ccccc34)CC2)C1 1828167494 FQQKCTRKDKVWGS-SANMLTNESA-N 459.634 5.105 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1829291957 SRJJRNWWGOQGRY-JIPXPUAJSA-N 496.611 5.516 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2Cl)CC1)c1ccc(O)cc1 1829863622 MKEBEEZHDSZFEB-URXFXBBRSA-N 483.008 5.069 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cccc2F)CC1)c1ccc(O)cc1 1829892594 UYAYSSQBDKPDCS-BKMJKUGQSA-N 494.582 5.101 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)c1 1830013072 PQYGXIIQFKSKPT-NDEPHWFRSA-N 492.623 5.476 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c(Cl)c1 1830720586 BNLAZBQKNWROSO-KYPHJKQUSA-N 494.010 5.388 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1830721329 BWXFCZKTBTYNID-URXFXBBRSA-N 454.014 5.191 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755156 AIMOVQQANUXQLM-DNQXCXABSA-N 487.566 5.579 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c(F)c1 1830773252 KRLKUCVGBAOQKS-HHHXNRCGSA-N 491.607 5.226 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)CC2)c(Cl)c1 1830889591 BXSCEWVATYNNEL-JOCHJYFZSA-N 481.021 5.302 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C(C)=C/c2ccc(OC)cc2)CC1 1831200137 RAFKEAPDZLRNPW-DUJPBFIOSA-N 464.650 5.487 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1831851711 SFNYFPGDEZDTHR-HHHXNRCGSA-N 481.640 5.643 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1831859677 VTRZXEMSTOCGPU-AHKZPQOWSA-N 466.572 5.694 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1832030007 DBQKRMAWGYDLPI-HHHXNRCGSA-N 457.618 5.176 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 1832030056 FFSLTXYDNKPDFX-JOCHJYFZSA-N 493.873 5.529 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](C)c3ccccc3)CC2)c1 1832902305 WKQWDAAIFMGOJV-VHSZZVNMSA-N 457.618 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3C)CC2)CC1 1838424216 VGTXSKOUJZFHQH-UHFFFAOYSA-N 494.598 5.618 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)c1c(Br)cccc1-c1ccccc1)C2 1846012078 GGMPSZGVDBLGAU-UHFFFAOYSA-N 489.360 5.145 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CC2(CCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1846884003 XOSGQPBSHAKJFK-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(-c2ccccc2)n2ccccc12 1847264297 KGEXCTFXRIMUFU-DQEYMECFSA-N 455.602 5.414 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 10179678 ODAGGNKMEVIAHC-UHFFFAOYSA-O 475.634 5.656 30 20 JKED COc1cccc(NC(=O)C2=C(C)N(c3cccc(C)c3)C(=S)N[C@H]2c2cccc(C#N)c2)c1 10355341 OLQCIHLRURXHTL-VWLOTQADSA-N 468.582 5.224 30 20 JKED CC(C)n1ncc2c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)cc(-c3cccs3)nc21 11050924 FXIQIRWTPQEEMG-SFHVURJKSA-N 487.585 5.233 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)ccc1Cl 11190761 TTZQXWCYHNFIEO-UHFFFAOYSA-N 457.914 5.015 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2scc(-c3ccccc3)c2c1=O 11297937 VGZPGAWSWRNGPO-MRXNPFEDSA-N 472.595 5.302 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)n(Cc2ccccc2)c1C 16582107 ZWKSVQUJBZPQNG-UHFFFAOYSA-N 456.329 5.127 30 20 JKED Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)c(Br)c1 18535865 TXCRBCVWJXNLNE-NSHDSACASA-N 458.303 5.471 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccccc1Br)=C(/S)Nc1cccc(C)c1 22728998 ABGFVFJTPIYPHL-UHFFFAOYSA-O 454.413 5.658 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(Nc2cccc(C)c2)s1 23356620 UTAKDCACHDNGOY-MRXNPFEDSA-N 453.593 5.026 30 20 JKED Cc1ccc(NC(=O)c2ccccc2SCC#N)cc1S(=O)(=O)Nc1cccc(Cl)c1 29490523 CEFQPLKDGZZFTC-UHFFFAOYSA-N 471.991 5.317 30 20 JKED Cc1c(/C(O)=N/c2nnc(SCc3ccc(F)cc3)s2)sc2nc(C(F)(F)F)ccc12 29784345 UCEMFAKDQKZUCF-UHFFFAOYSA-N 484.525 6.543 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 32786550 AGZDIHJFGBEZSN-CQSZACIVSA-N 480.943 5.846 30 20 JKED CCCCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2sc(C)c(C)c2c1=O 36821412 PEDSMBWYBWPHCQ-UHFFFAOYSA-N 472.661 5.221 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 68734821 OSXDSWRSOHSWJE-UHFFFAOYSA-N 490.972 5.766 30 20 JKED CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 71907201 AKVJCSJXZIUJBB-LJQANCHMSA-N 459.354 5.305 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(c1nc2ccccc2s1)c1ccc(C)cc1C 72038649 NOWPZEYUJBYTDA-UHFFFAOYSA-N 471.582 6.317 30 20 JKED CCOc1ccc(-c2nc(CC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)cc1 72096693 BGHSLOKAXZJCFE-AREMUKBSSA-N 483.593 5.711 30 20 JKED C[C@@H](NCC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 108968486 APPRHYCUEHESOR-QGZVFWFLSA-N 472.054 5.207 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1ccccc1 110898843 SNNDXOVAJLRAMK-DEOSSOPVSA-N 451.979 5.334 30 20 JKED COc1ccccc1-c1nnc(SCCC(=O)Nc2ccccc2C#N)n1-c1ccc(Cl)cc1 248185409 HGBDLCGLTIMRIS-UHFFFAOYSA-N 489.988 5.589 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 255951656 OLXMMQCSMIVAGY-UHFFFAOYSA-N 466.591 6.479 30 20 JKED COc1ccccc1N(C(C)=O)c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1 302988637 VRWMUTJUNCYUAP-UHFFFAOYSA-N 450.589 5.274 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 303014172 RQXRWIPWDUOHLP-UHFFFAOYSA-N 455.923 5.390 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 303291774 BFVGTDJXPYWJGE-QFBILLFUSA-N 466.657 5.994 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccc3)CC2)c1 409537849 WQVOYZPPCNGWNN-SANMLTNESA-N 487.003 5.556 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 409929033 BMMLJNTXPXKQKV-SFHVURJKSA-N 480.611 5.654 30 20 JKED CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 484666299 ABCJHUYQALRZHT-QFIPXVFZSA-N 466.368 5.636 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1)c1ccccc1 502035176 QOZYLQPKXRIGMI-NDEPHWFRSA-N 481.596 5.052 30 20 JKED O=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502902647 JCUROUQNNPZXRQ-UHFFFAOYSA-N 487.162 6.003 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Br)cc3)cc2)cc1 503199881 MHFDLNGTQRJFPK-QHCPKHFHSA-N 490.357 5.356 30 20 JKED Cc1nc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)sc1SCC#N 504726813 VUGRFVSRQCFGMX-UHFFFAOYSA-N 477.398 5.879 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 505708600 CDUWHAZPZXZOJZ-UHFFFAOYSA-N 453.329 5.015 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1OCc1ccncc1 505966843 WEAKQRBPBNVTCF-GOSISDBHSA-N 460.534 5.211 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 507889077 CVDKTFVHCYAQBS-UHFFFAOYSA-N 481.581 5.599 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 508142228 MMADSSKSSFXLKJ-UHFFFAOYSA-N 495.373 5.688 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc1 508291005 UJEDSQMBUYKPQJ-UHFFFAOYSA-N 478.936 5.471 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)ccc1OC(C)C 510232680 YFQIUOSTLSHDKS-HNNXBMFYSA-N 483.619 5.381 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 513661193 QOUDZAPBLBESQP-LJQANCHMSA-N 486.528 5.157 30 20 JKED C=CCn1c(S[C@H](C(=O)N2CCc3sccc3C2)C(C)C)nnc1-c1ccccc1F 514773437 FRPLIHJRUMVQCR-FQEVSTJZSA-N 456.612 5.033 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c12 515546893 IGLXTRNWBUMWPL-QGZVFWFLSA-N 457.946 5.697 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 518753333 MRBBMEGJSKOKGB-BEFAXECRSA-N 460.397 5.449 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 518754383 IUHVFQOBCQYRHH-DOTOQJQBSA-N 459.413 5.244 30 20 JKED Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 519037527 FYOYRWPTDOSQBM-HSZRJFAPSA-N 496.571 5.092 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 519422899 UEXWPHCMRSUHEL-LJQANCHMSA-N 479.627 5.406 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 520863820 JFUVRCGSZAHFQI-UHFFFAOYSA-N 467.525 5.573 30 20 JKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2Cl)n1 521427118 KGCDFWHGTLFHIX-LJQANCHMSA-N 493.011 5.667 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)cc1 521712394 GRLDNCGWPWTTCG-UHFFFAOYSA-N 483.828 5.931 30 20 JKED C[C@@H](C#N)CSc1ccccc1NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 521726972 QEECRCBOEVEXMW-LBPRGKRZSA-N 452.893 5.198 30 20 JKED COc1ccc2ccccc2c1CN(C(=O)CCc1c(C)nn(CCC#N)c1C)C1CCCC1 524412862 CVJNGQCYRDTXFI-UHFFFAOYSA-N 458.606 5.479 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 557541251 KYHCCCHTMUFLDT-UTKZUKDTSA-N 467.660 5.390 30 20 JKED C=CCOc1ccc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1Cl 580787229 CCLDUBBUQQIIMT-UHFFFAOYSA-N 466.988 5.055 30 20 JKED CC(C)Cn1c(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccco1 589931489 UEQRDXYQVAKIEP-HNNXBMFYSA-N 469.636 5.373 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 603959458 KSKRQCUYJBSDFY-UHFFFAOYSA-N 486.528 6.068 30 20 JKED Cc1ccc(-c2noc(CCC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)n2)cc1F 604116707 YAJSMSDTUKYAEM-UHFFFAOYSA-N 472.495 5.669 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 604358296 QFNRWGBHZWMMDM-UHFFFAOYSA-N 453.546 5.437 30 20 JKED N#Cc1ccccc1CSCCNC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 608841880 VTCWEGYCDKNGOL-IBGZPJMESA-N 482.009 5.084 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(C(F)(F)F)c1 608864777 AORSTYDMBCFOEK-OAQYLSRUSA-N 482.462 5.360 30 20 JKED N#Cc1c(NC(=O)COc2ccccc2OCC(F)(F)F)sc2c1-c1ccccc1CC2 609011100 ZSHPZEFADZYDOQ-UHFFFAOYSA-N 458.461 5.344 30 20 JKED CCc1noc(-c2ccc(CCNC(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)cc2)n1 609047988 BOXSMBHEJJXFOP-UHFFFAOYSA-N 483.528 5.336 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 609078462 RVCHRXOMSUJNIH-SANMLTNESA-N 468.601 5.479 30 20 JKED N#C[C@@H](C(=O)c1cc(I)cc(C(F)(F)F)c1)c1nc2ccccc2s1 609089744 APQDVUUWKWSLDQ-LBPRGKRZSA-N 472.229 5.410 30 20 JKED CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 609208030 XVYZJYPBLDFXBC-HXUWFJFHSA-N 485.462 5.273 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)cc1 609209306 JRELEOLQWQIZGM-GJZGRUSLSA-N 457.374 5.945 30 20 JKED CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609209458 GIFXBKGUMGBDAK-UHFFFAOYSA-N 471.970 5.314 30 20 JKED COc1cccc(/C=C(\CC(=O)Nc2ccccc2SC[C@H](C)C#N)c2nc3ccccc3s2)c1 609377463 VUHGDNSWMDEYMV-KNGGAZFVSA-N 499.661 7.126 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl 609399886 XAJHGFKJTXSIJP-UHFFFAOYSA-N 490.334 5.315 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccccc1 609421000 XBQOCLUDFBAQCA-RUZDIDTESA-N 461.512 5.092 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)cc2)c1 609427015 HZPWTASONPSVSQ-HHHXNRCGSA-N 475.504 5.545 30 20 JKED N#C[C@H](C(=O)c1cn(-c2ccc(Cl)cc2)nn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613344325 GPFIDDHLYAYWQV-OAHLLOKOSA-N 474.760 5.841 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nnc1-c1cccnc1 614510208 SFUBFMOUMNRRJX-UHFFFAOYSA-N 483.022 5.613 30 20 JKED Cc1cccc(-n2ncc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c2C(F)(F)F)c1 620304623 WHYZPEQSZHZXIG-AWEZNQCLSA-N 488.441 6.091 30 20 JKED O=C(c1ccc(C(F)F)cc1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517797 PAOQOYORHNECFY-INIZCTEOSA-N 453.329 5.876 30 20 JKED O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1 622594103 LTQXAILRICSSBN-AWEZNQCLSA-N 490.419 5.432 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1NC(=O)c1ccccc1 642282172 QKTDWAFUEZZSPN-SFHVURJKSA-N 479.483 6.366 30 20 JKED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N(CCC2=CCCCC2)C1=O)Nc1ccc(F)cc1F 726111415 KBCWHYCLMYWGQW-XKJZTMLSSA-N 498.599 5.122 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2CCCC2CCCC2)cn1 726111896 MVTNQYDEMXPPEX-HSZRJFAPSA-N 495.649 5.036 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc(O)c2c3c(sc2n1)CCCC3 726318472 KVCMYLZZJZXPHO-QLOJAFMTSA-N 494.661 5.097 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 726401608 UEMYKAZCDGPFCY-IIBYNOLFSA-N 492.016 5.481 30 20 JKED CC(C)Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)cc1 726571316 SFNUOEIGMDRKQJ-UHFFFAOYSA-O 464.998 5.727 30 20 JKED C#Cc1cccc(N2C(=O)/C(=C/c3cccc(NC(=O)c4ccccc4Cl)c3)SC2=S)c1 726629426 NKYJSFUSZOACMH-JCMHNJIXSA-N 474.994 5.979 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc34)CC2)nc1 727342267 JEFSCXCXQKAWLX-UHFFFAOYSA-N 473.989 5.282 30 20 JKED CN(Cc1ccccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)OC(C)(C)C 728023358 LNSOAPLRVCWEHU-UHFFFAOYSA-N 461.518 5.349 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cn3c(S)nnc3-c3ccc(Cl)cc3)cc2F)c1 728212328 IDXLWEZVRHHWQQ-UHFFFAOYSA-N 493.951 5.116 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728777822 PNUZVTPAVWNHGB-QFIPXVFZSA-N 483.037 5.919 30 20 JKED Cc1ccccc1-n1c(-c2cccnc2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728903773 YLAKTBGWWYNHNU-UHFFFAOYSA-N 482.613 5.146 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 729144112 BNDUSDNPLBNWDH-SFHVURJKSA-N 488.997 5.405 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 729144507 CYTBZLFITBXPQO-NRFANRHFSA-N 496.633 5.875 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)cc1C 729144813 ZDEVSGXPBZHGFJ-HXUWFJFHSA-N 482.606 5.368 30 20 JKED Cc1ccc(C(=O)N[C@H](CC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2)cc1 729891837 NWMBZNUFNLYHDI-BJKOFHAPSA-N 465.578 5.856 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cocn1 730710612 ORZNXEVBDOXPHX-HSZRJFAPSA-N 484.581 5.605 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1Cl 730715372 MUJPXUPEHWAKKY-LEWJYISDSA-N 492.004 5.086 30 20 JKED COc1ccc(C2(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCC2)cc1 731077348 HDRVEOMOTGDKHF-SFHVURJKSA-N 452.576 5.083 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2 731137068 YVACENGQNQMCFK-QHCPKHFHSA-N 454.574 5.146 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1Cl 731306114 RNBKPQNUPLQCQX-IBGZPJMESA-N 496.416 5.086 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2Cl)cc1 731308129 XHLYTWIZLREDFM-JOCHJYFZSA-N 495.988 5.215 30 20 JKED Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1cccc(OCc2ccccc2C#N)c1 731314222 GMGOAMKKKWICFC-UHFFFAOYSA-N 469.570 5.096 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c1C 746695978 JTCQWZLJGSZWBI-OAQYLSRUSA-N 471.598 5.218 30 20 JKED COc1ccc(OCc2nn(CN(C)C[C@@H](C)C#N)c(=S)n2-c2ccc(C)c(Cl)c2)cc1 746706680 OYXAFBUQEBFLHM-INIZCTEOSA-N 472.014 5.002 30 20 JKED Cc1ccc(-c2ncc(C(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)s2)c(C)c1 747260292 BWXBYUSCSLDOPK-UHFFFAOYSA-N 453.951 5.184 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1-c1ccccc1 750911297 PEAFXKUAULPUPT-UUOWRZLLSA-N 470.598 5.110 30 20 JKED CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=NNc1ccc(C(=O)O)cc1)c1ccccc1 751321368 HAITUIYJJBFKNO-PBWSGDRGSA-N 471.601 5.568 30 20 JKED C[C@H](OC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)c1nnc(-c2cccc(Cl)c2)o1 809684467 CYBFZTSXNMYRGL-VMPCVLLUSA-N 465.815 5.365 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2cccs2)C1=O 837740423 NKRKYZGAEOZHRQ-NRFANRHFSA-N 483.590 5.099 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c(OC)c1 837771003 PFKIVDSKXCFOIL-NRFANRHFSA-N 499.589 5.065 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCN(C(C)C)CC2)cc1 837835076 CZFVHLRRVQVUTE-XMMPIXPASA-N 478.662 5.137 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 837838758 DTQWWJKOXNTCGY-VGOFRKELSA-N 462.550 5.251 30 20 JKED CC[C@H](C)N1C(=O)N[C@H](c2cccc(C#N)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839946731 BEVLZOQXXWNLPI-LHSJRXKWSA-N 456.468 5.355 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2sccc2C)C1=O 914547418 OSAXORCLGBXWAM-NRFANRHFSA-N 479.627 5.534 30 20 JKED C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915104175 MOEYKTGTKYEPBT-QMTHXVAHSA-N 451.451 5.580 30 20 JKED CN(C)C(=O)COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 916128249 RAPRKTAWFCNBJI-MLPAPPSSSA-N 497.378 5.609 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2)C1=O)Nc1ccccc1F 916205807 MEQYTZISYYXQQH-OAQYLSRUSA-N 451.498 5.125 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1Cl 916212799 YSAXILGZIOXAGW-LJQANCHMSA-N 485.396 5.549 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(F)(F)F)c1 916217341 LDOUKFLMWQAQRX-SFHVURJKSA-N 465.497 5.084 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1sc2cc(Cl)ccc2c1Cl 916886109 DQEPXTOICWXVMJ-ZDUSSCGKSA-N 471.337 6.484 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916886476 GXCAHIMAVCTYAG-HXUWFJFHSA-N 485.512 5.075 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 916901610 MFXAESASCWLORT-LJQANCHMSA-N 452.938 5.725 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CSc1nccn1-c1ccc(C(C)C)cc1 916902398 GGUATXCKUGWVFQ-LJQANCHMSA-N 497.020 5.406 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 916906518 CULYEDJSCUCXJO-XMMPIXPASA-N 475.504 5.692 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 916955512 REYOCMBRELIXCL-BTYIYWSLSA-N 479.378 5.418 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996364 LMVMXBFNHIOAIJ-SUMWQHHRSA-N 456.354 5.346 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2nc(-c3ccccc3)cs2)cs1 917542813 SJKJJQQVJZYOEQ-UHFFFAOYSA-N 453.980 6.051 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cs1 917644076 AGCNGUUCYCDAGS-JAIQZWGSSA-N 476.608 5.414 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3ccnc(C)n3)C2=O)cc1 917665816 LWUBFZXVSUGMEO-XMMPIXPASA-N 487.629 5.377 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)c1 917671359 WGTMTIYWKWAWKZ-QHCPKHFHSA-N 458.587 5.167 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCOC)C1=O 917699021 QDXMGABVCLNXJF-XMMPIXPASA-N 491.613 5.235 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 917708084 FZUUDYBBCFVOLV-CJFMBICVSA-N 486.641 5.604 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1 918034223 KEHDPHLXXFIIJN-HHHXNRCGSA-N 478.527 6.055 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)cc1 920108828 KGYMXQCSXJEKBA-XMMPIXPASA-N 452.489 5.202 30 20 JKED N#C[C@@H](C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920111890 ZYOYQIMQZNZPMX-SFHVURJKSA-N 475.372 6.181 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2C[C@H]2CCCO[C@H]2c2ccccc2)cc1 920357061 TTZWJNMSLOCZGY-NOOIUNMQSA-N 493.673 5.265 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2nnn(-c3ccc(F)cc3)c2C)cs1 920388672 HNCSXSKYMMQEEL-GHXNOFRVSA-N 481.940 5.405 30 20 JKED COc1cc(/C=C2\COc3c(OC)cc(C)cc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl 920389178 JDAQPMOEOQWTFC-LDADJPATSA-N 493.943 5.342 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1C 920894792 VZDQITUOXVKZQI-INIZCTEOSA-N 485.371 5.571 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1OCC 920963775 QZNNTRSZUVIGQZ-INIZCTEOSA-N 475.383 5.220 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)C3)CC1 1781916891 MWVDSJDFTHZVLY-PAHOUZJPSA-N 488.789 5.014 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)[S@@](=O)c3ccccc3)CCC2)cc1 1786104490 VHIKQIGKHUGNGT-OGPYBGEISA-N 464.631 5.085 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c(CC)nc4ccc(Cl)cn34)CCC2)cc1 1786366349 CJLFZDNMEOSUMI-UHFFFAOYSA-N 495.023 5.281 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ncc(C(F)(F)F)cc3Cl)CCC2)cc1 1786371930 QQNKVXXBCPFAGC-CQSZACIVSA-N 481.902 5.093 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cncn3-c3ccncc3)cc2)CCC1 1787152816 XJHHLEJVNKERLZ-UHFFFAOYSA-N 457.578 5.007 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nc(-c6ccccc6)ccc45)CCC3)cc2)CC1 1787881018 CXRQAFVYXQYEIL-UHFFFAOYSA-N 475.552 5.281 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)CC3CCOCC3)cc2)CCC1)c1ccccc1 1787922712 TWLMHULXCXINPC-SANMLTNESA-N 458.602 5.134 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cccc4nc[nH]c34)cc2)CCC1)c1ccc(O)cc1 1788431381 ARNJGKNUIOZPDO-OAQYLSRUSA-N 492.579 5.213 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1789455403 RNYBMUKNDOIHCH-VJBMBRPKSA-N 481.637 5.192 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CCN4CCCC4)nc3)CCC2)cc1 1789626276 QLUAAOQQRUMMMX-UHFFFAOYSA-N 488.676 5.460 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]cnc3-c3cccnc3)CCC2)cc1 1789626292 JDBFBBHHFDLRLD-UHFFFAOYSA-N 457.578 5.212 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4Cl)cc3)CCC2)c1 1789681337 HEVHAAMFBBMJJU-KRWDZBQOSA-N 458.949 5.424 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)nc4C(F)(F)F)CCC3)cc2)on1 1790162604 AWFDIAHNOQYQAW-UHFFFAOYSA-N 497.477 5.145 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)cc2)CCC1 1790354084 SDWRRMMYSCHXAT-UHFFFAOYSA-N 454.611 5.072 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)CCC1 1790368104 OBWDEFAWFMUHEC-UHFFFAOYSA-N 497.639 5.581 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccoc3)CCC2)cc1 1790519974 QFEYZHLETMKABI-VTJDKEBTSA-N 493.604 5.286 30 20 JKED CC(C)(C)OC(=O)CCCCCCC(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1790561923 PQBXSSAUBVNBBK-UHFFFAOYSA-N 455.599 5.107 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(C)c3)CCC2)cc1 1790564922 SKCYGASGGDJQOG-NRFANRHFSA-N 484.600 5.606 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)cc3F)CCC2)cc1 1790569299 JZQHVRINFWOVAO-OAHLLOKOSA-N 479.474 5.393 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OCC)cc2)CCC1 1790692030 QYDLFYPIPWCKCA-UHFFFAOYSA-N 470.997 5.469 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5cc[nH]n5)cc4)cc3)CCC2)cc1 1790739687 SLVWHINROJNKKO-UHFFFAOYSA-N 461.525 5.010 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790838954 VYKIUSOKABHQER-KRWDZBQOSA-N 478.980 5.437 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)n3cccc3)cc2)CCC1 1791790529 QWEQIEKRRLLOLE-OFNKIYASSA-N 494.636 5.043 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)Cc3ccco3)cc2)CCC1 1791909939 VFKWGRFGDRUHJJ-CVDCTZTESA-N 495.620 5.062 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)cc1C#N 1792168465 DQRBXVOQZAYTDJ-UHFFFAOYSA-N 498.608 5.721 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(Cl)ccc3Br)CCC2)cc1 1792267395 VWZGNAFUTSNZNX-UHFFFAOYSA-N 473.798 5.193 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=C(C)CC3)CCC2)cc1 1792337483 SKNTUYHMXLIOHS-GVNDJSPXSA-N 493.648 5.336 30 20 JKED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 1796964960 LWIXCMHXNQJMOM-KOUNCHBCSA-N 489.959 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2n1 1798197284 QELFKYBFUINOJZ-BCDXTJNWSA-N 484.438 5.242 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(C(F)(F)F)c1 1800467190 PELDJMKZYOAVJF-YEXBIGLPSA-N 496.938 5.111 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2OC)[C@@H]1c1cccnc1 1802503890 ZIULVJKMFCMJMT-AUSIDOKSSA-N 470.013 5.056 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccccc4)CCCC3)[C@@H]2c2cccnc2)c1 1802871675 LCUBMATVVBWTEC-LSYYVWMOSA-N 492.623 5.093 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1805066482 NXISMBODJZGHEN-NVQXNPDNSA-N 488.607 5.528 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)C1 1806067611 XBVIRBRHEZRKKL-SFHVURJKSA-N 476.992 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1809207667 ZLGKUODGBICCFC-IMSXRSKXSA-N 477.605 5.523 30 20 JKED Cc1cc2cccc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)c2[nH]1 1809269368 BIBDZLCDFPUSTE-HFZDXXHNSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@@H]1c1cccnc1 1810173621 IZSBFGKAIXAFBO-LYHRCORUSA-N 490.406 5.616 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1810177213 CJLHFHFMYHICPM-HUVFLSCGSA-N 451.998 5.131 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3c(-c4ccccc4)cn4ccccc34)[C@H]2c2cccnc2)C1 1811336566 XVEHBWKJVDZLBG-FUFSCUOVSA-N 490.607 5.287 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1811411783 ALWYCASQLVDPAS-WXVAWEFUSA-N 473.661 5.410 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813975027 XLHRIGXQDYZJEL-GAJHUEQPSA-N 476.379 5.041 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)CC1 1814379138 DGFPBNIYBFCKOC-XMMPIXPASA-N 475.637 5.513 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)n[nH]1 1814720824 WJMVICAYKOLKCB-JAXLGGSGSA-N 452.574 5.337 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)cc2Cl)[nH]n1 1814828518 NNHUGOKWOYHVHB-QHCPKHFHSA-N 493.011 5.323 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2ccc(Cl)c(F)c2)n[nH]1 1815149676 ISQFEZWUDIWQNZ-UTKZUKDTSA-N 474.964 5.042 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1815243142 LXZQFZRNPNOWQT-PKOBYXMFSA-N 485.576 5.071 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)COc3cccc4ccccc34)n[nH]2)cc1 1815651628 PNFWLJIRZGQADY-VWLOTQADSA-N 493.567 5.014 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccccc2C(F)(F)F)n[nH]1 1816908413 BBCWZRBTRHKPNO-GHTZIAJQSA-N 474.527 5.432 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1 1817588827 AGXMHMSVLXHLAM-HYBUGGRVSA-N 459.594 5.284 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)n[nH]1 1817766682 PQFXVRFIXYAQJY-HXUWFJFHSA-N 483.494 5.373 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818117589 YWTNWYFKTJTSIU-XQKMKWSOSA-N 476.602 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)[nH]n1 1819308012 SJKDPVDZPZPBRH-YJBOKZPZSA-N 495.933 5.551 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCC#N)[nH]n3)ccc21 1820225193 FQTIMCCJVDHSMP-XMMPIXPASA-N 468.561 5.147 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(C)=O)[nH]n1 1820945597 BEHRVHUPZRSGCG-FPOVZHCZSA-N 477.650 5.066 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)Sc3cccs3)[nH]n2)c1 1821324594 AWJQTZFKANUXCQ-OXQOHEQNSA-N 479.631 5.138 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)[nH]n1)C(F)(F)F 1821992216 VRSCDZDTBSJICI-INIZCTEOSA-N 479.890 5.277 30 20 JKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)CC1 1822227564 QFIVFTSKUYSSHK-XHOYROJHSA-N 461.610 5.559 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(O)cc1 1822468365 PDBUIHHMWXTOOV-WIYYLYMNSA-N 490.526 5.037 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(C)c1 1823216080 ABBLPNYRBDEJOV-YADARESESA-N 485.588 5.282 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823217087 PSCVQXHQNCTZOH-CYFREDJKSA-N 485.588 5.282 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)[nH]n2)c1 1823218301 QOOJVCDAFDVZKH-NTKDMRAZSA-N 475.637 5.949 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1823751033 HUTPSNURJPJGSN-SANMLTNESA-N 479.665 5.331 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnn2-c2ccccc2)CC1 1823752510 VTFZBFGPPAPNOA-XMMPIXPASA-N 462.638 5.098 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826512052 YWBJDTFVRFSUSA-GCJKJVERSA-N 450.545 5.080 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1826693286 NWSFHBLAGHBGKY-MHZLTWQESA-N 495.623 6.169 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3csc4c3CCCO4)CC2)c1 1827388255 DWUSFYSMPHRWNW-CLOONOSVSA-N 491.657 5.247 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1 1827407569 MQLUQYXNHRDZCD-HSZRJFAPSA-N 475.614 5.232 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)CC2)c1 1827793308 LZGGEWIAUXUJHR-HHHXNRCGSA-N 496.586 5.306 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c1 1828188199 MFBGTFMKHNBRHT-VWLOTQADSA-N 469.585 5.171 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1828419468 IBNCSQLKLPRNRW-GVCORALISA-N 489.582 5.465 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828828446 KKQSCBQMFQGXGJ-OFVILXPXSA-N 468.041 5.823 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)C)no2)CC1)c1ccccc1 1829031600 BGRKYDMUDJTIBQ-RSXGOPAZSA-N 475.633 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1829067546 QWECHLHDDUJNPZ-VWLOTQADSA-N 454.655 5.240 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1829682674 SDIWFKYPXYUWEV-AREMUKBSSA-N 492.063 5.414 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1Cl 1829690186 OXIJEEUJHGLZJN-DEOSSOPVSA-N 492.982 5.379 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829902467 RQDZJZZQUAEFTE-OXJNMPFZSA-N 468.425 5.028 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1830771075 PTUCFXRWAHNILZ-RUZDIDTESA-N 490.003 5.813 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ccoc34)CC2)c1 1830987019 HDELSLCXPHCIFN-AREMUKBSSA-N 469.585 5.171 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831208913 PUXSMUMWZYHHRZ-YTMVLYRLSA-N 473.661 5.056 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCc3cccc(Cl)c32)CC1)C(F)(F)F 1831226796 ZXBQSLYLPMPBNC-AZUAARDMSA-N 468.947 5.108 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1831442270 QHOGYVZXWQUZIY-UWJYYQICSA-N 452.973 5.275 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F 1831453083 LEZCPKWCXBLZDX-SFHVURJKSA-N 462.434 5.057 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)CC1 1831860078 JXRYJRIZWXCZMW-FQEVSTJZSA-N 492.845 5.393 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1832037365 NLXQZGQCRGWUGP-HHHXNRCGSA-N 489.685 5.075 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1 1832373338 RUYCHLGFHIETBY-MEKIYTOJSA-N 456.030 5.271 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3F)CC2)c1 1832633304 GKKJSWQEUWQMRN-MHECFPHRSA-N 465.544 5.139 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)CC1 1832658132 RNAISLCZVOQFQD-JOCHJYFZSA-N 461.046 5.574 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CNC(=O)OC(C)(C)C)CC1 1833000696 RZJHHEXCSYBTGC-JOCHJYFZSA-N 491.717 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)C1 1844654677 XSMCUWDKNRGVLI-HXUWFJFHSA-N 459.615 5.482 30 20 JKED COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@@]4(C)C(C)(C)C(=O)CC[C@]34C)[C@]1(C)CC2 1857523913 JNNNPDBFHDPICP-ZVXMMZRVSA-N 496.732 7.099 30 20 JKED C=CCn1c(SCC(=O)Nc2cccnc2Cl)nc2scc(-c3cccs3)c2c1=O 11380793 CRNPPBSTDVAVQH-UHFFFAOYSA-N 475.020 5.152 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(CC)s2)c1 15963560 JVOUSTISMBTHGA-UHFFFAOYSA-N 497.429 5.041 30 20 JKED Cc1nc2ccccc2c(C)c1CC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16834434 HZJPAGPHLMDAJO-QGZVFWFLSA-N 461.587 5.167 30 20 JKED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 17222735 STQGBUZAAVRPLV-HSZRJFAPSA-N 498.366 5.026 30 20 JKED CCOc1cc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc(Br)c1OC 18064584 CZBQAKVTLRVGBO-XDHOZWIPSA-N 481.346 5.156 30 20 JKED C=CCSc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 20047027 LKDIBRXMRYJZKO-UHFFFAOYSA-N 451.548 5.181 30 20 JKED O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 26301158 NASLQNKEKXNBAM-UHFFFAOYSA-N 474.361 5.911 30 20 JKED CCN(CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 107819058 YMPQKHWJVHCHLS-SFTDATJTSA-N 454.574 5.071 30 20 JKED Cc1nn(Cc2ccc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 107876651 NTYNQSVEOAWWTB-DEOSSOPVSA-N 499.958 6.018 30 20 JKED CCOc1c(OC)cc(/C=C2/CCC/C(=C\c3cc(OC)c(OCC)c(OC)c3)C2=O)cc1OC 110093297 VLILXABKTJJRGX-AYRZQKSOSA-N 482.573 5.738 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccnc2SCc2cc(C)on2)cc1 116525055 HGGPUIKERDRTHM-UHFFFAOYSA-N 472.526 5.595 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc1 116552804 VYCWETXAZJQLBA-JOCHJYFZSA-N 499.567 5.005 30 20 JKED C=CCN(C(=O)[C@@H](C)Sc1ccc(C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491074839 KBIVFCUISHGOEN-QGZVFWFLSA-N 472.657 5.222 30 20 JKED COc1cccc(/C=C\c2cc(C(=O)N(CC#N)C3CC3)c3cc(Br)ccc3n2)c1 495502780 KTTWPMIYXFAIFJ-ALCCZGGFSA-N 462.347 5.304 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCc1nc(O)c2ccccc2n1 501140020 DAVFQVOMDFCLOM-UHFFFAOYSA-N 454.505 5.211 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1F 503262341 GAUXDBQCBPAQPZ-UHFFFAOYSA-N 460.509 5.242 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 504067282 FUTCTFDQBWDEOY-UHFFFAOYSA-N 480.927 5.284 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 505618773 JGWZLBGEANSJFU-DEOSSOPVSA-N 479.483 5.030 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1[N+](=O)[O-])c1ccccn1 507919163 GHPYSXKXGAIZBE-SFHVURJKSA-N 479.496 6.079 30 20 JKED O=C(c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N(CC(F)(F)F)c1ccccn1 508606100 XGYHPLGCFPEAHX-UHFFFAOYSA-N 476.295 5.173 30 20 JKED C=CCN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1nc(-c2ccccc2)cs1 508903938 YSPHWPGSSXYLJN-UHFFFAOYSA-N 465.663 5.975 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1Cl 510005081 JGLGPUDYIUMOEP-JOCHJYFZSA-N 481.930 6.349 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)s2)cc1 510159727 JOEQPYZWZOBDEA-NRFANRHFSA-N 475.574 5.752 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)s2)cc1 514031850 YPOITUWVQLTAJQ-UHFFFAOYSA-N 462.538 5.106 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)N1CCCc2ccccc21)C(C)C 514985938 OQUWEARPASJONQ-XMMPIXPASA-N 480.609 5.278 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc(-c3ccccc3)nc21 515540532 ZEGZMTUKIPLJLG-QGZVFWFLSA-N 456.456 5.353 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)c2)c1 515926696 ZJIAGQBGEQSALH-UHFFFAOYSA-N 492.988 5.016 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1 516009454 IMDRIJORCQGSID-UHFFFAOYSA-N 478.346 5.636 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3sc(Cc4ccc(F)cc4)nc3C)n2)cc1 516269842 AAHVLKOASMHGGV-LJQANCHMSA-N 463.559 5.804 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 516430725 AKRFOHWFIDWVJT-DEOSSOPVSA-N 482.927 5.243 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 517473278 MOTHREINDOCCTN-LJQANCHMSA-N 494.642 5.403 30 20 JKED Cc1nnc(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n1Cc1ccccc1 518241958 YBJAZRHRIXWGRK-UHFFFAOYSA-N 455.543 5.030 30 20 JKED COc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)o1 518870936 MXASEZRAVXXIGE-OAHLLOKOSA-N 466.465 5.759 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519068421 XAKJIKVLWMWRGZ-UHFFFAOYSA-N 455.543 5.224 30 20 JKED COc1ccc(CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H](C)C2CC2)cc1 519501481 FUKRNPMWQHOOLS-NRFANRHFSA-N 469.585 6.173 30 20 JKED O=C(Nc1cccc(OC(F)F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 520802714 FKNKFGXDDRZNEB-UHFFFAOYSA-N 482.743 5.731 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1SC[C@@H](C)C#N)O[C@@H](C)C2 520854187 FXGZMVOLWPARJO-STHPQGGCSA-N 451.592 5.338 30 20 JKED COc1ccc(Oc2cc(CNCc3cccc(OCc4ccccc4C#N)c3)ccn2)cc1 520955361 YXPOUYCMWKVSBX-UHFFFAOYSA-N 451.526 5.623 30 20 JKED CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1 521329861 QZQTVHOFNYHFTC-SFHVURJKSA-N 495.626 5.533 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 521617480 VCFQLPWEHAXHPR-UHFFFAOYSA-N 470.356 5.377 30 20 JKED N#C[C@@H](C(=O)c1cc2sc3ccccc3c2s1)c1nnc(N2CCOCC2)n1-c1ccccc1 521634534 XTUGEAASSARJGF-SFHVURJKSA-N 485.594 5.023 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 521721611 AADHRKDOLYTAQF-UHFFFAOYSA-N 465.340 5.005 30 20 JKED Cc1cc(COc2ccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc2Br)on1 521768320 CLYYMUPJCFIVKA-OAQYLSRUSA-N 482.378 5.617 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nccnc1-c1nc2ccccc2s1 524423107 XKIWXCAHXNIJMN-UHFFFAOYSA-N 477.549 5.765 30 20 JKED C=CCN(C(=O)Nc1ccccc1-c1nc2ccccc2s1)[C@H](C)c1cccc(-n2cnnn2)c1 596340526 YYBWELMRXDEVEJ-GOSISDBHSA-N 481.585 5.720 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H]1c1ccc(OC)cc1 603623327 HPBGFYPQXGBGFK-LSYYVWMOSA-N 498.583 5.473 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OC(F)F 603649119 YFBBXDPVFYITSP-UHFFFAOYSA-N 472.517 5.270 30 20 JKED N#C[C@@H](Cc1ccccc1)Sc1nccn1-c1ccc(C(=O)NCc2ccccc2F)cc1 603725838 FOTQMQDAODMRMQ-HSZRJFAPSA-N 456.546 5.168 30 20 JKED CCCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nc2cc(Cl)ccc2c1=O 603896587 JXNRATVIVFZBQU-UHFFFAOYSA-N 469.010 5.116 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609072913 MNUOMBBCIJTNLA-UHFFFAOYSA-N 462.937 5.573 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1CN1CCCC1 609078752 MNQGSYZGNREJFT-UHFFFAOYSA-N 454.574 5.363 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 609079582 GQRIGNCUUAZHEN-RUZDIDTESA-N 469.541 5.586 30 20 JKED N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 609096904 QPRPDLXBMBKMLI-NRFANRHFSA-N 481.503 5.104 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 609377432 WXSHVSMGJMZPSA-SFHVURJKSA-N 465.600 5.016 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1OC 609427760 JCUGAGGJFZIOPL-CQSZACIVSA-N 453.589 5.782 30 20 JKED Cc1ccc2c(C3=CCN(C(=O)C(=O)Nc4ccccc4S[C@@H](C)CC#N)CC3)c[nH]c2c1 609437498 BNXVSTNDUSRYEU-SFHVURJKSA-N 458.587 5.125 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(F)cc2)cc1 609438703 RMUCNOCLFXSZIS-OSPHWJPCSA-N 477.561 5.073 30 20 JKED N#C[C@@H](C(=O)c1occc1CS(=O)(=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 613407182 KSOQMSKMHSMTLU-INIZCTEOSA-N 456.932 5.007 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)nnc1-c1ccoc1C 613907746 KGPCLOVOVZNEEY-UHFFFAOYSA-N 476.524 5.335 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc(F)ccc1Br 616003604 CSRATCZNNLTAOU-UHFFFAOYSA-N 490.169 5.723 30 20 JKED O=c1[nH]c(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc2cc(-c3ccc(F)cc3)sc12 618448802 BUVGPUVCEWUSJL-TXEJJXNPSA-N 479.421 5.353 30 20 JKED C=CCn1c(Sc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)nnc1-c1cccnc1 669623787 GKUDBFZWTIJAGX-UHFFFAOYSA-N 483.626 5.623 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S/C1=N\[C@H](C)c1cccs1 726421739 PEQXVYPADQYTQW-QAXHCUEGSA-N 451.564 5.072 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1Cl 726891980 RKKPSCIWIDLCOI-HXUWFJFHSA-N 487.940 5.241 30 20 JKED Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cs1 727558766 DVFZFOAJNFBCFV-UHFFFAOYSA-N 462.575 5.319 30 20 JKED CN(C)C1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2F)CC1 728257611 UBPFXSSEVGNIAY-UHFFFAOYSA-N 477.424 5.646 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CCCCC#N 728779771 KOVPBGHMYFRMEN-OAQYLSRUSA-N 485.009 5.311 30 20 JKED Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 729237512 OOLFOSBWTKMQJP-RBUKOAKNSA-N 486.597 5.335 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cn2c(S)nnc2-c2cccs2)cc1Cl 729319708 NTVDGRLRNTVMDP-KRWDZBQOSA-N 465.991 5.243 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 729633206 CLBJJFPQCGQCRQ-JOCHJYFZSA-N 489.988 5.076 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1 729668333 HOBIYSGHRPQKEQ-UHFFFAOYSA-O 451.568 5.011 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O)Nc1cc(Cl)cc(Cl)c1 730714314 TTWZLXSHLKYIAN-SFHVURJKSA-N 475.357 5.142 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 731070425 MMGZEXUZWZYANL-GFCCVEGCSA-N 462.358 5.664 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 731077847 LBPVSQLAPSMJJI-KRWDZBQOSA-N 489.528 5.679 30 20 JKED COc1cc(C(=O)/C=C/c2cn(C(C)(C)C)nc2-c2ccccc2Cl)ccc1S(C)(=O)=O 731158676 GGOSGBSZZJVQMG-ZRDIBKRKSA-N 472.994 5.267 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)c3ccnn3C)c2C#N)C(C)(C)C1 743225487 WPDYVYHMPUGCAZ-AATRIKPKSA-N 492.626 5.297 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC 743675099 UYCCFYXXYPQITD-UHFFFAOYSA-N 477.392 5.165 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2c(F)cccc2Cl)C1=O 745581203 JHPJDIUYZYZNBL-INIZCTEOSA-N 487.956 5.062 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCCOC2CCCC2)C1=O 747044425 RUJWHSJOYWEPJX-XMMPIXPASA-N 495.645 5.313 30 20 JKED CCCCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)cc1 747600336 AOJIIDFWSVEHGS-JOCHJYFZSA-N 496.633 5.785 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CC(F)(F)F)C2=O)c1 799211552 RQPWZQSFXQTSNT-GOSISDBHSA-N 463.525 5.443 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 837535413 DRCPLMUFTRPWGF-KBMIEXCESA-N 480.593 5.956 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)cc1 838082504 DGTGBVYPXGMHFE-DVECYGJZSA-N 488.613 5.429 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O)Nc1ccc(SC(F)F)cc1 838589993 AAVYSWUOAADIJA-KRWDZBQOSA-N 483.512 5.402 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 857763322 XGFSGWLYKCBWPI-HNNXBMFYSA-N 471.941 5.403 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(-n3cccn3)cc2)ccc1OCC(=O)Nc1ccccc1 878901606 DVMGRXDHOQPCIU-OQLLNIDSSA-N 467.525 5.185 30 20 JKED COc1ccc(Cc2noc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)n2)cc1OC 904479654 ZUAHTQLWKUOEOW-UHFFFAOYSA-N 464.337 5.634 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N(CC)C2CC2)ccc1Cl 912769313 GXRSSQHCOKONID-UHFFFAOYSA-N 486.943 5.365 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1sccc1C 914558555 ZXJSGJDJPLNNGN-FQEVSTJZSA-N 465.600 5.226 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 915124683 UPCJWWGTMIZFRH-DEOSSOPVSA-N 492.670 5.490 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1 916383781 SCBDXNHMBPMWTN-XCZPVHLTSA-N 473.532 5.537 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927922 FTBDIQZPDVSOSU-FQEVSTJZSA-N 465.336 5.971 30 20 JKED N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc2cc(C(F)(F)F)ccc2s1 917044625 UGHDVVDUTMZYDU-ZIUTZDDDSA-N 483.353 6.225 30 20 JKED CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045242 YOKOWSGHIBFNTF-IAGOWNOFSA-N 492.498 5.299 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1nc2ccccc2o1 917510231 YZVPQAZRHGYQEC-LJQANCHMSA-N 474.314 5.262 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)Cc2ccccc2-3)cc1 917612177 LNWPYNRGQGUZOZ-UHFFFAOYSA-O 488.636 6.693 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2csc(COc3ccc(Cl)cc3)n2)cc1 918711289 JPQPBHRNNXHXMV-UHFFFAOYSA-N 471.995 5.204 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)s2)cc1 919965938 XQGQPSICWULFKY-UHFFFAOYSA-N 453.449 5.062 30 20 JKED N#C[C@H](C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)c1nc2ccccc2o1 920116054 YNXIXLBEKFSBFL-OAHLLOKOSA-N 461.308 6.028 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804093 LFSAKPTXZKTPTM-INIZCTEOSA-N 465.550 6.248 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)Cc4cccs4)n3)cc2)cc1 921010487 RVLXZQRSYOZZSL-UHFFFAOYSA-N 474.567 5.231 30 20 JKED Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)n2C)n1 921253719 VJPNKRITOZLGNY-HOTGVXAUSA-N 485.704 5.428 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)Cn3ccc4sccc4c3=O)CCC2)cc1 1785840906 MQYKTJWZLCMJQU-UHFFFAOYSA-N 477.630 5.190 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)c(Cl)c1 1785880893 RTFMWWVGTGQRSR-UHFFFAOYSA-N 487.987 5.140 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCCOc3cccc(Br)c3)cc2)CCC1 1786308697 NMCYSMXJPHRPEW-UHFFFAOYSA-N 483.406 5.156 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)CCc3cccnc3)cc2)CCC1)c1ccc(O)cc1 1788280266 ULLBGKHOXKHJKK-DEOSSOPVSA-N 481.596 5.051 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4nccc5occc45)cc3)CCC2)cc1 1788339057 AYJHJHKZGRJZFR-UHFFFAOYSA-N 464.525 5.080 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(C)cc3)cc2)CCC1 1788359742 LBQUJIWLWCUFAE-UHFFFAOYSA-N 497.595 5.314 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)c3occc3C)cc2)CCC1)NC(=O)OC(C)(C)C 1788695018 CGGXGYVBGOAPCH-OAQYLSRUSA-N 481.593 5.195 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4sc(C)nc4c3)cc2)CCC1 1789048050 HKSHMDUGGXLLRQ-UHFFFAOYSA-N 455.530 5.564 30 20 JKED C[C@H](C(=O)NC1(c2ccc(NC(=O)/C=N/N3CCCCC3)cc2)CCC1)c1ccc(Cl)cc1 1789513038 MRIIJTKVLVBHTF-VKLJRCAFSA-N 467.013 5.049 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cncc5cnccc45)cc3)CCC2)c1 1790011948 OSEAFIDMFOAISJ-LJQANCHMSA-N 475.552 5.318 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5nc[nH]c5c4)CCC3)cc2)c1Cl 1790083962 RCRXEIXWNCQBMX-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cc(C(C)(C)C)oc3C)CCC2)cc1 1790509640 JSFLZEYNXFYQPA-UHFFFAOYSA-N 466.578 5.143 30 20 JKED CC(C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)ccn1 1790834449 IXGDIPSXPDSWLS-UHFFFAOYSA-N 492.583 5.189 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H](c4ccccc4Cl)N(C)C)cc3)CCC2)C1 1791129830 GMZQRABHZPGAPE-HSZRJFAPSA-N 451.998 5.043 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)CCc4cnc5[nH]ccc5c4)cc3)CCC2)c1 1791490931 ODRAXRRVLSSSMI-UHFFFAOYSA-N 477.568 5.124 30 20 JKED CC(C)CCC(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)cc2)CCC1 1791521927 RZZIKQOFTKOWIA-OAQYLSRUSA-N 491.698 5.158 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCNC(=O)OC(C)(C)C 1793005047 MFZKBFVCRAHJDX-GPJHCHHRSA-N 477.690 5.092 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2 1793576009 TZDRZQHVTLHDSF-BKFWDETESA-N 478.658 5.214 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3ccc(Br)cc3c1C)C2 1798593299 ARLJEGGYEDPLMV-REPLKXPHSA-N 486.454 5.483 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccccc2)cc1 1800347913 XXJQOMKJHGMARK-KTGTYYRFSA-N 486.593 5.231 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1cccc2ccoc12 1800503252 LWHDESVFTNEPDO-LGKQTMLJSA-N 474.560 5.398 30 20 JKED Cc1cccc(Cl)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1 1800740873 OEKGXUVQSBYYHZ-REPLKXPHSA-N 475.898 5.105 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1802503097 KWUWYCAZSQOZGW-YADARESESA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)CC2)C1 1804862075 GMSMMYPCBMDGJA-VABKMULXSA-N 452.664 5.098 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(-c3ccccc3)noc2C)[C@H]1c1cccnc1 1805364383 LMGGCVKUMMGGKH-ZEQKJWHPSA-N 486.616 5.357 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1809201845 TWDPNEJGRQCRQY-ZJSXRUAMSA-N 477.605 5.523 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809209904 PEJVABJLYDFQCG-YKSBVNFPSA-N 494.060 6.038 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1809302630 MXGAHOCYQFVSOK-AHKZPQOWSA-N 468.601 5.026 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)CCc2cc(Cl)ccc2Cl)[C@H]1c1cccnc1 1812451798 ZADICLRJVYBNEN-HFZDXXHNSA-N 486.443 5.221 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1812592054 JMXLJJVNAZELAA-HZUJVAHNSA-N 479.930 5.286 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)[nH]n2)C1 1814397264 GLTOLEHVKUBNGD-FQEVSTJZSA-N 491.419 5.776 30 20 JKED Cc1ccc(OCCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1814631875 NLHRDDJUEYQXSL-JOCHJYFZSA-N 491.979 5.018 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)[nH]c12 1814738433 CUBZHAQBSUDYBK-XMMPIXPASA-N 480.572 5.010 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H]2CNc3ccccc3C2)n[nH]1 1817372867 KBNVODGIXHZYMB-LFAGZIFBSA-N 475.637 5.235 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc3ccccc23)n[nH]1 1818443168 SGZBCTAMRFHEOB-DEOSSOPVSA-N 487.680 5.315 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)[nH]n1 1819307221 QAHJAUFFVZOGSW-QFBILLFUSA-N 465.579 5.201 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nccc3occc23)[nH]n1)c1ccccc1 1819518436 PXMJXCVSODPGGM-REWPJTCUSA-N 481.556 5.054 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)c12 1821494120 XEJOYYTUCPOXBX-HXOBKFHXSA-N 496.571 5.146 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)[nH]n1 1821923704 NNHIHYBUSKEIHG-CYFREDJKSA-N 485.588 5.180 30 20 JKED Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)sc2c1 1823210791 GBOGZFMMAXGXDE-VGOFRKELSA-N 498.612 5.575 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1 1823752431 SGMBXBDTOCLDSI-GBXCKJPGSA-N 456.593 5.516 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccc(Cl)c2)CC1 1823983658 HBNZUIPVBSUAJK-QHCPKHFHSA-N 461.046 5.331 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824137263 CTKJMLGJDGSVLL-MHZLTWQESA-N 477.649 5.107 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824450368 QCXFFKXALFUGRF-JOCHJYFZSA-N 450.545 5.224 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)cc1 1824837319 MWTVUIUWLQLEDA-OPATVPMHSA-N 495.545 5.524 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)[nH]c12 1827682653 JJIVSBWBTABZNX-BREAQWACSA-N 489.641 5.210 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)c2[nH]1 1828215685 WKLWUDKLSMFIKH-VWLOTQADSA-N 472.564 5.034 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1828773935 SSCGKFVRHVTLBP-YKSBVNFPSA-N 495.714 5.353 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829952694 WSCXEIDKDXJINL-RUZDIDTESA-N 482.584 5.069 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 1829956251 BJLVLTLDMVCOCJ-DEOSSOPVSA-N 483.534 5.053 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829975782 IIYOOJBLAGIGNX-IBGZPJMESA-N 459.364 5.438 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829997758 MMXDSEYPOCOXEX-LJQANCHMSA-N 458.471 5.150 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(Cl)cncc4s3)CC2)cc1 1830013359 ZWWVPVVUVJMYKD-JOCHJYFZSA-N 493.032 5.368 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 1830416419 PYMFXHLGBLWRHT-QUCCMNQESA-N 461.672 5.080 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1)C(F)(F)F 1830533192 JMOBVZLIOVRDQX-SFHVURJKSA-N 480.424 5.196 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1830536700 PJZRKBQPKXEGAF-IERDGZPVSA-N 486.962 5.183 30 20 JKED Cc1cccc(C)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1830639413 XLYJGPOLWBNTLP-VDZCTEQFSA-N 464.631 5.037 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1)c1ccc(O)cc1 1830910294 HSCUVSWQBZGYNW-NAKRPHOHSA-N 498.623 5.569 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831448240 MMVDBLSHZZSRFN-DEOSSOPVSA-N 498.570 5.071 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3ccc(C#N)cc23)CC1 1831577838 RCZDJSFXWDDUJZ-VWLOTQADSA-N 491.680 5.664 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1832029460 AGGLPUJQMVTIPO-QHCPKHFHSA-N 475.658 5.581 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c1 1832390331 FSXMQCPPEVUZCV-GKUMTSALSA-N 461.650 5.517 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1832556713 ACAJZVWJFSJLTK-XMMPIXPASA-N 499.533 5.645 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)c1 1832629252 MKGYSPPMFQMJRQ-BQQUOAEZSA-N 461.581 5.258 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1832717549 OAEBBURMQFZGOX-IERDGZPVSA-N 486.962 5.183 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CC1 1838749800 KABJQTDSGISNIS-INIZCTEOSA-N 486.962 5.183 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)C[C@@H](C)c4ccccc4)CC3)CC2)c1 1838762624 NEJIDDLTEVZLNK-PKTZIBPZSA-N 487.644 5.120 30 20 JKED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](c1ccc(OCc2ccccc2)cc1)C(C)C 1847829026 VWVBGXMUKFXXBE-GWMMUDDPSA-N 494.701 5.161 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1c(C)cc(C)cc1Cl 11089428 JFNZADBIZHLFSM-UHFFFAOYSA-O 468.986 5.766 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc3ccccc23)cc1 11127297 RQFPYUSNQYCMAY-UHFFFAOYSA-O 479.669 6.964 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ncccc2C)ccc1Cl 18231180 NWRZUTDNGAOWJT-UHFFFAOYSA-N 476.385 5.330 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)nnc1-c1ccc(OC)cc1 18974980 VONWOJNHSFXJTG-UHFFFAOYSA-N 477.634 5.251 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)cc1C 21174696 VDEQGPQMFMMMGX-UHFFFAOYSA-N 486.622 5.349 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)/C(O)=N/c1nnc(CC(C)C)s1 21746794 RZJKMGBFSGVCHY-UHFFFAOYSA-N 451.474 5.029 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc(C3CC3)nc21 23121752 ACUFSPFFDYLEBI-UHFFFAOYSA-N 475.603 5.157 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nc2ccccc2c1=O 23349135 FHCWWMGZHNSWLM-LJQANCHMSA-N 455.583 5.293 30 20 JKED C=CCOc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)cc1 24441779 LBDBNYJEWKPFQB-DEOSSOPVSA-N 456.542 5.312 30 20 JKED COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(CC#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 26384164 QYZSTPANJKSZNN-VPUSJEBWSA-N 453.542 5.193 30 20 JKED C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 26498204 USEJCXRASRMXDR-INIZCTEOSA-N 452.555 5.601 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc(C3CC3)nc21 31776751 BJMSEOZBKLIAJI-UHFFFAOYSA-N 451.530 5.593 30 20 JKED CCn1c(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)nnc1-c1ccccc1OC 103327816 ZTFCMKXXKGMACN-CXJVOSNZSA-N 462.619 5.335 30 20 JKED COc1cc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OCc1ccccc1 108073713 AWBOHKLJVZBATH-UHFFFAOYSA-N 468.509 5.248 30 20 JKED COCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 206987277 AEMWPYOHTCSPLL-POHAHGRESA-N 458.486 5.027 30 20 JKED CCN1C/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)/C(=C/c2ccc(OC(F)F)c(OC)c2)C1 208020767 MZNKINGULGXYNP-BEQMOXJMSA-N 495.469 5.278 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)N1CCCC[C@@H]1C)C(C)C 302991336 WHIJOXKQQNTLOK-UWJYYQICSA-N 463.047 5.214 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Cl 303153951 OCLJZCCFICMMBI-UHFFFAOYSA-N 451.910 5.118 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 303422855 YWIWDMIYEPGCLL-UHFFFAOYSA-N 485.628 5.478 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1Cl 409765299 CGXXQGVXGOWDFW-QQSVUBKYSA-N 459.977 6.285 30 20 JKED CCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 485843127 ULBOILXSURQJMP-QHCPKHFHSA-N 463.940 5.512 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 488014796 OCGDDCGPJGIDIM-UHFFFAOYSA-N 492.963 5.722 30 20 JKED Cc1ccc([C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)N2CCCC2)cc1 490683100 GSJNGHFTSBHWFX-MUUNZHRXSA-N 468.601 5.599 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 494142576 WFENNLNIACUPEP-UHFFFAOYSA-N 454.330 5.042 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1Cl 495125782 CNUJBZGMRYKQNA-DVECYGJZSA-N 479.049 6.091 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 502557365 CNGYQEMLOKKHFJ-FQEVSTJZSA-N 472.564 5.561 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(COCC(F)(F)F)cc3)c2)c1 511463755 RHRFQNAZGRLHKM-UHFFFAOYSA-N 482.462 5.211 30 20 JKED CCn1c([C@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)nc2ccccc21 513995031 SHAOQPFBERDGLF-LJQANCHMSA-N 457.456 5.238 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N(Cc3ccc4ccccc4c3)C3CC3)c2)c1 516287326 MVCQBFYYMXWJGB-UHFFFAOYSA-N 475.548 5.420 30 20 JKED COc1cccc(C[C@H]2CCCN2C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 516452635 DNWBOBULSMXMJK-RDGATRHJSA-N 487.987 5.176 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 518683332 RHXNHNNVCGEAJB-IBGZPJMESA-N 488.613 5.658 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1C 518904004 BNKJNRBLJWABOB-NRFANRHFSA-N 469.614 5.710 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)cc1 519088082 MELVMSOVCGTQDK-UHFFFAOYSA-N 454.530 5.181 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 519106058 NBSRXOTVOOXJIR-KSFYIVLOSA-N 481.980 5.833 30 20 JKED COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c([N+](=O)[O-])cc1OCc1cscn1 520924286 SJKPCABDCBZGSG-AWEZNQCLSA-N 484.559 5.285 30 20 JKED Cc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1S(=O)(=O)NCc1ccccc1 520928756 GETHZTKETVLIOH-LJQANCHMSA-N 479.627 5.120 30 20 JKED CCOc1ccc(NC(=O)COc2c(Br)cc(C#N)cc2OCC)c(C(F)(F)F)c1 521239864 ATIPJAKASXVYAS-UHFFFAOYSA-N 487.272 5.154 30 20 JKED C[C@@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccc2c(c1)OCCCO2 521734773 QFSFSSHLVTXHJY-CQSZACIVSA-N 465.497 5.312 30 20 JKED Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 524276951 VPLPOUNQOCEGFD-UHFFFAOYSA-N 452.539 5.994 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCc3sccc3C2)c1 593248754 WVUHJYCYGXFVAQ-UHFFFAOYSA-N 487.046 5.371 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1Cl 603766281 QCWBPGVMVQCMMF-SFHVURJKSA-N 452.345 5.291 30 20 JKED COc1cc(I)c(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1OC 604562168 NNQRAJVGVFLRHR-UHFFFAOYSA-N 489.334 5.022 30 20 JKED CCn1c(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nnc1-c1ccco1 609063211 PZJMVQFZPWZIOS-UHFFFAOYSA-N 493.976 5.393 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(OCc2ccccn2)c1 609079050 HFMFJIPMZWHDKE-UHFFFAOYSA-N 478.552 5.741 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(OC)c1OC 609079340 XJJSRNQJHLGSCE-GOSISDBHSA-N 475.545 5.354 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC(F)F 609079686 IUDJDTJOMUPDQW-UHFFFAOYSA-N 487.890 5.722 30 20 JKED CN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609086424 GXLLUVPWXRVFQW-UHFFFAOYSA-N 468.340 5.041 30 20 JKED CCOc1ccccc1[C@H](CC)NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 609090135 ZSLHMEVWXLXDIE-DEOSSOPVSA-N 471.557 5.050 30 20 JKED N#C[C@H](NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 609173702 WKXDKTYJXFHFBM-MHZLTWQESA-N 473.536 5.053 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609185198 QNLZABHHWDFGSO-UHFFFAOYSA-N 478.552 5.103 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCCN(C(=O)c4cccc(Cl)c4)CC3)c2)cc1 609209053 UWNSFXLYHGLZLT-UHFFFAOYSA-N 474.948 5.384 30 20 JKED COc1ccc([C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2ccc(F)cc2)cc1 609211960 TVBXGFXXFUSFLK-AREMUKBSSA-N 459.521 5.048 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc12 609417337 QRYIBJXJVORHCC-CQSZACIVSA-N 453.123 5.240 30 20 JKED COc1cc2cc(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)[nH]c2c(OC)c1OC 613405008 SISRDKZKKINVIS-GFCCVEGCSA-N 475.448 5.312 30 20 JKED C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)nnc1-c1ccccc1OC 613932633 HXTNKFOEEPRURD-UHFFFAOYSA-N 495.605 5.057 30 20 JKED C=CCn1c(C)cc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccn2)c1C 615957617 NGQQCRAKJGFYKC-UHFFFAOYSA-N 478.643 5.097 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/[C@H](C)c2cccs2)cc1 726419041 BQCSESIZEMHSIB-PKWGXKOHSA-N 479.627 5.347 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)S/C1=N\[C@H](C)c1cccs1 726420656 LZULSLLUVHRDOK-YUIGFBNLSA-N 479.599 5.086 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(F)cccc2Cl)cn1 726893229 XPTMOMNGPFXIMY-HXUWFJFHSA-N 498.967 5.043 30 20 JKED Cc1cc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c(C)n1-c1ccc(C#N)cc1 728270590 LOJRJNPBCAQDQL-UHFFFAOYSA-N 465.991 5.874 30 20 JKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=S)Nc2ccc(C#N)c(Cl)c2)cc1 728444684 CEKBRMYFRAMEQE-UHFFFAOYSA-N 451.979 5.628 30 20 JKED Cc1sc2ncn(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)c(=O)c2c1-c1ccccc1 728456989 SEMIYLSSRXNKHF-UHFFFAOYSA-N 478.533 5.481 30 20 JKED CC(=O)N(c1nc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cs1)c1ccccc1F 728668819 ANTYTSQYLUYQIC-UHFFFAOYSA-N 487.512 5.988 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)N2CCCCC#N)cc1 728778667 FANHTWGXUOJLFW-JOCHJYFZSA-N 493.589 5.120 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/CCc1ccccn1 729630784 ABFKXYYWIAPCCN-GYRUEZOASA-N 466.651 5.006 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1C[C@@H]1CCCO1 730525560 UGHHWKFYNDPOLD-NZQKXSOJSA-N 465.619 5.005 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(C3CCCC3)C2=O)cc1 730534057 PZKHUEGJKAOEKB-QFIPXVFZSA-N 467.566 5.240 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1cocn1 730710887 UJHVTRZSULJHQJ-LJQANCHMSA-N 486.956 5.244 30 20 JKED CCCCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cocn2)cc1 730715939 LULUHMNMELKATB-QFIPXVFZSA-N 480.565 5.317 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730718444 ZIMRONFAMIOPEV-OFNKIYASSA-N 492.004 5.242 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 730993556 BAPSLLASNXSVFO-IAGOWNOFSA-N 492.066 5.265 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 731068177 UQTRHQFXSQFDLZ-IBGZPJMESA-N 497.576 6.056 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)s1 731306069 KHTKBUHZKKMSOA-IIBYNOLFSA-N 465.600 5.484 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(Cl)cc2)cc1 731307058 ZXDOALNSZSHXJC-QFIPXVFZSA-N 495.988 5.215 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731310583 KZHAHMCVZHGSHQ-ILBGXUMGSA-N 489.572 5.643 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)o1 731310684 NIMIPHUFNNNPPO-ZOUOIUENSA-N 493.560 5.408 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1 743524067 FXYGBYMTZNXRDO-QHCPKHFHSA-N 476.577 5.306 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C=Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O 744685742 ZDBIGRLAKDZSRV-UHFFFAOYSA-N 457.534 5.257 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N([C@@H](C)c3ccccn3)C2=O)c1 837299860 OXHGUSTYAWCPII-OFVILXPXSA-N 486.641 6.037 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1F 837301147 PWKSKFPMEIIARY-QVKFZJNVSA-N 482.968 5.596 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 837713591 YAMWDCFIMAQDNW-VFNWGFHPSA-N 482.968 5.596 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F 838571781 RCJMEAQYZRTZLX-LJQANCHMSA-N 497.489 5.887 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1OC 912963172 CRCJTYVZJLRMRO-SFQUDFHCSA-N 457.939 5.109 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(F)c(Cl)c1 916204912 KHWSVSVTKVCKPJ-KRWDZBQOSA-N 497.335 5.187 30 20 JKED N#C[C@@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 916628328 ROGRYYKIBORQJI-KRWDZBQOSA-N 452.923 5.462 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2n1C 916845334 SRONWULAMWDBPT-QGZVFWFLSA-N 452.345 5.102 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 916887900 OVCWNVZIGKATTM-QGZVFWFLSA-N 492.345 5.444 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cccc(OCc2cscn2)c1 916906061 BLSATVUIFUNTCA-JOCHJYFZSA-N 469.522 5.476 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 916944886 PGMKGWFCQWPXSF-MRXNPFEDSA-N 484.368 5.273 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)n2)cc1 916972898 RGOLLCFJAOKIEP-QVNIBDNGSA-N 477.586 5.025 30 20 JKED N#C[C@H](C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F 917041141 QDSHSMWUCYXLTB-UMSHPIDHSA-N 465.862 6.641 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2ccc(C)cc2)C=C1 917611478 HUXHALPATVWVBR-UHFFFAOYSA-O 488.677 6.623 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc1OCc1ccccc1 917644827 MNCLOMFRYNUIHR-UCQKPKSFSA-N 458.564 5.552 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 917674968 CKCMVTRRMYMYSP-HSZRJFAPSA-N 488.569 5.372 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccsc3)C2=O)cc1OC 917682540 JYVOXBVOYGURAN-JOCHJYFZSA-N 495.626 5.234 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C)cc2)c1 917682916 MKSDIKYKIYYLIM-DEOSSOPVSA-N 491.588 5.441 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C#N 917701682 AJCUQVBSUAYKNV-SFHVURJKSA-N 475.401 5.481 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(C)C)c1 917712110 DVXAORGYVVNPPQ-HSZRJFAPSA-N 481.618 5.009 30 20 JKED CCCC(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 918491078 XDNVFHWDSZNFFF-CZUORRHYSA-N 450.391 5.332 30 20 JKED COc1ccc(CCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(OC)c1OC 918491780 HPJLKYUOKDYQLR-CQSZACIVSA-N 464.465 5.150 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)SCC(=O)Nc3ccc(C)cc3)n2)cc1 920138473 GZXYETQTUWTWLZ-OXJNMPFZSA-N 465.600 5.064 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 920234411 GUAOLEHHLVRHPP-BJKOFHAPSA-N 476.374 5.710 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)cc1 920356539 PWVSGAPXIFOIQL-XMMPIXPASA-N 490.629 5.631 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc(-c2c(F)cccc2F)cs1 920806856 ROQMMRWVQSOFQD-GJZGRUSLSA-N 484.503 5.348 30 20 JKED O=C(COc1ccc(C(=O)/C=C\c2cc([N+](=O)[O-])ccc2OC(F)F)cc1)Nc1ccccc1 920834195 ZEKDTDNWNDTVMY-WQLSENKSSA-N 468.412 5.110 30 20 JKED C[C@@H](COCC(F)(F)F)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 921254227 OHRGSWYDIXOULW-KBXCAEBGSA-N 499.942 5.268 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c(Cl)cncc3Cl)CCC2)cc1 1786365534 KYVTWXKYUZGVIW-UHFFFAOYSA-N 462.377 5.119 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4ccccc34)CCC2)cc1 1786370469 BDZDHLOXYIGACF-QGZVFWFLSA-N 463.965 5.227 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(Cl)cccn34)cc2)CCC1 1788386038 USURLEYURJGGPM-UHFFFAOYSA-N 464.997 5.728 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3noc4ccccc34)CCC2)cc1 1788649751 VZMKUNYCGUOIGE-OUKQBFOZSA-N 485.565 5.005 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)CCC1 1789279216 AXDIANWXKNUOFS-UHFFFAOYSA-N 472.665 5.362 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5ccsc5n4)cc3)CCC2)c1 1789335305 HJPXDPQRQDHTSG-QGZVFWFLSA-N 469.570 5.084 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)CCC2)cc1 1789455134 LNSIBRFRLVHMLL-PMVMPFDFSA-N 499.627 5.236 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3C)CCC2)cc1 1791299060 NOKZYXFHWLCDIT-UHFFFAOYSA-N 478.337 5.112 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4[nH]3)CCC2)cc1)C(F)(F)F 1791302814 ZGJQEWAFKCVQBH-UHFFFAOYSA-N 461.871 5.688 30 20 JKED COc1nc(C)ccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124848 MNJHTWBBNQVVJJ-GOSISDBHSA-N 468.557 5.087 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccc(F)cn45)CCC3)cc2)c1 1792127376 XDNARLQHBWEDCP-GOSISDBHSA-N 481.531 5.162 30 20 JKED CC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cc1 1792136395 BPYSWHBTEMHPAB-LJQANCHMSA-N 480.568 5.334 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3Cl)CCC2)cc1 1792331446 WACMEMVSFPVDHE-JOCHJYFZSA-N 496.007 5.004 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1792495106 BFEDRAIHDLETAN-IRJINJETSA-N 491.657 5.092 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2cccc4ccccc24)C3)C1 1792503273 NWMNQGHYLOKXQH-BKFWDETESA-N 466.581 5.850 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nc(Br)sc2c1 1798160020 QEZVIXZNLXKTOI-MHORFTMASA-N 488.451 5.079 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1798335816 TWUXAALIXFTDPO-DXGJXXFVSA-N 480.052 5.648 30 20 JKED COc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)ccc2F)C3)cc2ccccc2c1Cl 1799335927 DDBJJRHRGCWTQD-REPLKXPHSA-N 491.950 5.078 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1C(F)(F)F)c1cc(F)cc(C(F)(F)F)c1 1799587797 MNAQRYMFNARTBQ-BJWYYQGGSA-N 488.403 5.429 30 20 JKED CCOc1ccsc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800505002 JLURVFPOMNQAFZ-QEIWAGNOSA-N 484.621 5.112 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)c(F)c2)C3)c(Cl)c1 1800690822 ZQQFIRVKPMRYJI-KOUNCHBCSA-N 487.962 5.583 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc4c(ccc5ncccc54)s3)[C@@H]2c2cccnc2)C1 1802416730 JZRRPSQDULDKFF-NIYFSFCBSA-N 482.609 5.130 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803229116 UKKHHYRMFIHYCY-ZDEZRRDYSA-N 494.079 5.949 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3cccc(OC)c3)CC2)C1 1804859357 ZPLLJPJITVOIIT-UHFFFAOYSA-N 489.660 5.594 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccccc4OC(F)(F)F)C3)CC2)c1 1805094012 JXGJDEAAVWVNDM-IBGZPJMESA-N 499.533 5.371 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@@H](CNC(=O)CCC#N)[C@@H]3c3cccnc3)cc2)cc1 1806868369 OKFLGJONFCPMQN-JDXGNMNLSA-N 494.639 5.715 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)/C=C\c4c[nH]c5ccccc45)C3)CC2)c1 1806881126 BPYBLIKCTIQFCO-YRBAHSOBSA-N 480.612 5.353 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1811288057 QIWCUSPIOHOSIO-NVQXNPDNSA-N 498.652 5.637 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 1811936162 MNVUMQURIMOUED-ADAOPCQVSA-N 490.563 5.041 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1812584961 XKQUFUISMODVOL-LHXUXXTBSA-N 468.041 5.393 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)[nH]n1 1814441647 DDFQJVWIORPHMX-HXUWFJFHSA-N 492.649 5.535 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)n[nH]1 1814533015 BTALURKFSHPPRK-FQEVSTJZSA-N 489.661 5.040 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)CC1 1818117167 CZMZTXLWMIWGQV-BLPXFNDVSA-N 468.623 5.119 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cc[nH]c23)n[nH]1)c1ccc(O)cc1 1818772761 KBRUKWAVOODWKU-SQJMNOBHSA-N 495.583 5.100 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4cccc(Cl)c34)n[nH]2)c1 1819224915 WLWRAFJXXLTMDS-NRFANRHFSA-N 472.936 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)[nH]n1 1819302093 ZPHQSRTXXIESSU-RDTXWAMCSA-N 462.381 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)[nH]n1 1819307392 GIXGLOXXKFQVJB-DMDYGQEQSA-N 489.664 5.225 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(F)F)cc2F)[nH]n1 1819307723 MMZUPOSBRJFDAF-OXJNMPFZSA-N 476.499 5.225 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)[nH]n1)c1ccccc1 1819520438 ICMOSJXETWVEMR-BDYUSTAISA-N 497.643 5.244 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)cc12 1820218822 DMLODPGVKDSUKM-QFIPXVFZSA-N 486.963 5.344 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@@H](C)S)[nH]n3)ccc21 1820225592 KULKCEDPFAVNRI-MWTRTKDXSA-N 475.618 5.162 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821089504 JNIFLACSRLLMBW-GOSISDBHSA-N 466.891 5.191 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)[nH]n2)c(Cl)c1 1821277987 BUCVLZQLBMUWPL-INIZCTEOSA-N 474.373 5.269 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc3ccc(Br)cc23)n[nH]1 1821382637 TUJBLMAHKNKONZ-YCRPNKLZSA-N 496.409 5.239 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)[nH]n1 1822391181 BAXGPEIQXKJPSS-QFIPXVFZSA-N 493.405 5.435 30 20 JKED Cc1scc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1C 1823211127 JYEFSWBZPBBZNN-QRQCRPRQSA-N 461.591 5.335 30 20 JKED Cc1cc(C)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823217495 LDOJNUNKPRXMEO-DVECYGJZSA-N 455.562 5.273 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)C1 1823702925 FPCJCFVVWPWPTB-HSZRJFAPSA-N 463.449 5.512 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 1824052218 CTMWLCMVJVHYBQ-OAQYLSRUSA-N 470.038 5.139 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1824138277 YFJRIQCUUJSZGY-DEOSSOPVSA-N 489.701 5.020 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1825434562 ODDHSCBJKLWYOM-QFQXNSOFSA-N 486.660 5.553 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c(C(F)(F)F)o1 1825961444 UIZJCJDGWHSEKA-OAQYLSRUSA-N 491.485 5.165 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828292527 BNSZALZLPAJCHN-SANMLTNESA-N 474.004 5.106 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)cc12 1828574836 CIHZNAFTVKMRHW-MUUNZHRXSA-N 482.628 5.214 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906224 AGYMRGMZXSPJNT-VWLOTQADSA-N 498.788 5.311 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1828906465 NTTKRWTWCPJVCU-HSZRJFAPSA-N 495.765 5.581 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1829068773 PMBVTJYINVEGOJ-VWLOTQADSA-N 462.638 5.302 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829648417 UVEOSYKLSCAGMI-KRWDZBQOSA-N 473.898 5.035 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)c1 1829679406 MWDPZAGMSWNXGY-SANMLTNESA-N 494.035 5.086 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)c1Cl 1829692613 LQGJBCXMWFWSMJ-NOZRDPDXSA-N 476.020 5.175 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829692871 NUZALOVHKLRHLV-XMMPIXPASA-N 496.076 5.410 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)CC1 1830110817 LRHGDIKLRMFSNU-HSZRJFAPSA-N 459.030 5.350 30 20 JKED COc1cc(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830463777 ZBMOHHDVKNMOJR-JIPXPUAJSA-N 473.617 5.178 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1 1830717549 XBOSTJIVKZWAJX-HSZRJFAPSA-N 471.935 5.037 30 20 JKED Cc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830720742 WYHIBZUSJAKEEA-NRFANRHFSA-N 456.011 5.129 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)c(Cl)c1 1830723161 GBACEIJHEHQRNM-OZXSUGGESA-N 476.020 5.175 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1830770600 DNFOKYYTPKNXRL-SANMLTNESA-N 475.658 5.065 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3C=CS[C@@H]32)CC1 1831164099 QPUBOCUSFRMWMI-AIQXTLEGSA-N 496.676 5.195 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1831375123 MYROHHWKSKWJDW-NLFFAJNJSA-N 463.597 5.333 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1831375872 GPQNZZOYBHZFSZ-CWHMAMJXSA-N 473.455 5.294 30 20 JKED Cc1ccccc1CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1831522978 FRYIEKLLVKNMSU-FIPFOOKPSA-N 471.645 5.488 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)ccc1Br 1832477180 RWUXXWMPHXYBQJ-QHCPKHFHSA-N 498.465 5.134 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)n1 1832635317 ZZJPEGQKFSBJKD-YADARESESA-N 478.662 5.441 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC(OC4CCN(C(=O)c5cccc([C@H](C)C#N)c5)CC4)CC3)cc12 1838318081 BZXZUHUUPXGRDV-OAQYLSRUSA-N 498.627 5.029 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)C1 1841565528 XJYCSKPKXRRCSK-JOCHJYFZSA-N 489.701 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)nc3ncccc23)C1 1844658352 DGCZDUIKXQDRGW-UHFFFAOYSA-N 468.601 5.106 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(Oc4ccccc4)cc2)C3)cc1C#N 1846880309 XKXKAXXUWSBALM-UHFFFAOYSA-N 495.579 5.269 30 20 JKED C[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 10497508 WVWDWLQHPPMQKE-RSYJBZMQSA-N 468.768 5.050 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10755820 GPGXONACDQLBFI-UHFFFAOYSA-O 472.949 5.678 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2cccc(C)c2)c1C 10827830 LEQQQIQAQIBJIR-UHFFFAOYSA-O 471.002 5.108 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10830110 LGRGRDVSRZJZNF-UHFFFAOYSA-O 471.577 5.764 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc3c(c2)CCCC3)c1 11085035 BRYRJTAZIFAWGR-UHFFFAOYSA-O 494.478 6.283 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1c(C)cccc1C 11153172 BBXNQAXMTVWZHO-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2c(C)cccc2C)cc1 11153742 UEOXDEPXGGOCFY-UHFFFAOYSA-O 465.708 7.224 30 20 JKED CCOc1ccc(-n2c(SCC(=O)N(CCC#N)c3ccccc3)nnc2-c2ccccc2)cc1 11197328 VMYNGTFEIOSYNW-UHFFFAOYSA-N 483.597 5.372 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1C 11977562 OWCIYYBWZDPMTO-UHFFFAOYSA-N 457.559 5.183 30 20 JKED C[C@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 12260711 AYKISNCQNNDBKH-ZDUSSCGKSA-N 458.301 5.023 30 20 JKED COCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1Cl 15824854 SYNNKSCCOUTDBV-AWEZNQCLSA-N 490.416 5.279 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nc2scc(-c3ccccc3)c2c1=O 16207566 JLYUEUHBFUSQIO-UHFFFAOYSA-N 468.991 5.090 30 20 JKED C=CCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1)Cc1cccs1 19540608 XOGSRGQJHUXCKG-NRFANRHFSA-N 481.643 5.193 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccc(F)cc1 24014772 OZOOSFAUOSLFEX-IBGZPJMESA-N 472.589 5.980 30 20 JKED C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N(CCC#N)c1ccc(F)cc1 26338102 ITSPOZZNSWFXLU-ZDUSSCGKSA-N 475.343 5.066 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccccc2)c1C 28793714 VACSLANPOIEPDQ-UHFFFAOYSA-O 491.420 5.453 30 20 JKED C=CCn1c(Sc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)nnc1-c1ccccc1OC 105331992 KWRKRHUOJXVZAW-UHFFFAOYSA-N 498.637 5.846 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl 107647724 IJNLHIQFVMWOLL-VTQJSVQUSA-N 476.020 5.657 30 20 JKED C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1cccc(OCc2ccccn2)c1 108826731 PTDVDIQYBABPPG-OAQYLSRUSA-N 463.537 5.602 30 20 JKED O=C(/C(=C(/S)Nc1cccc(Br)c1)[n+]1ccccc1)c1cc(Cl)ccc1Cl 216353401 ZAYSDUMOMFOJLQ-UHFFFAOYSA-O 481.222 6.094 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1cccnc1 302705908 YOPUCXBDZSEMRO-ZDUSSCGKSA-N 484.557 5.047 30 20 JKED Cc1csc(SCc2c(C(=O)Nc3cccc(OCCCC#N)c3)oc3ccccc23)n1 303003213 VDOFFMQSXBABSF-UHFFFAOYSA-N 463.584 6.425 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 303151017 FZIXGLXHOROHHQ-QHCPKHFHSA-N 471.532 5.076 30 20 JKED CC(C)Cn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccccc1F 303323087 UQSQRELRAMSVBY-QGZVFWFLSA-N 483.638 5.723 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)cc2F)c1 481044030 RYYPBFIVBCPGNT-MHZLTWQESA-N 497.501 5.260 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 482177058 FPSWPKPXCGQECV-UHFFFAOYSA-N 490.313 5.606 30 20 JKED CC(C)[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)S(=O)(=O)C1CCCCC1 482879756 RWFOIVXUKZFAAI-RUZDIDTESA-N 468.619 5.042 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 487994183 QPDWAOCLTBLPQW-DEOSSOPVSA-N 489.978 5.432 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C)c1C(=O)N1CCCC1 502679998 PKDNQOHDIQHRNK-UHFFFAOYSA-N 474.374 5.353 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nc2sccc2c1=O 503248149 NVIXPUHJIDBYLN-CQSZACIVSA-N 496.639 5.077 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 509325535 CZWZVLIUNXJEIO-UHFFFAOYSA-N 477.589 5.934 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510887115 LRZHBWMPCUDURC-VWLOTQADSA-N 471.557 5.881 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)ccc1Cl 514732061 WHXGPJSVULASLC-UHFFFAOYSA-N 492.988 5.039 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N(C)Cc1ccccc1C 515353867 PAKNMBUQJWOVDQ-GOSISDBHSA-N 471.026 5.144 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1nc(-c2ccccc2)cs1 515542328 UNKWSCLZXDRSFQ-QPPBQGQZSA-N 465.534 5.242 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccc5ccccc5c4)o3)n2)cc1 517800726 DZTVPYHKSAOONK-DEOSSOPVSA-N 475.529 6.497 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1Cl 517821542 RWPITZSUGRIMMB-HSZRJFAPSA-N 481.939 5.930 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cn2)c1 518255385 AUSFIMWXSBJNKZ-UHFFFAOYSA-N 466.497 5.868 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc(-c3cccs3)nc21 520187564 SSWZVOBVPCQISV-MRXNPFEDSA-N 461.616 6.387 30 20 JKED COc1ccc(C2(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)CCOCC2)cc1 520406304 WMKOIRLUNXUSHJ-UHFFFAOYSA-N 472.610 5.337 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 520832441 KAANKNKDVWAXCP-QWHCGFSZSA-N 452.458 5.304 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 520837078 JCZBXWAUFFYLBJ-UHFFFAOYSA-N 481.952 6.669 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)c2)cc1 521494878 CZTLXGNSVNYRBF-IBGZPJMESA-N 458.493 5.372 30 20 JKED COc1ccc(Oc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccn2)cc1 523795318 MRYRDJKEHWZQIV-UHFFFAOYSA-N 496.542 5.805 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)o2)cc1 524382805 XPHNVZDWWBVAIV-UHFFFAOYSA-N 462.465 5.107 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 524391285 BLKIKTWJPCMHSD-UHFFFAOYSA-N 491.613 5.037 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 524437302 GBNLTVOYBORIMX-UHFFFAOYSA-N 498.539 5.951 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2C(F)(F)F)cc1 603623089 DQTZAHQDKWDZTA-UHFFFAOYSA-N 463.419 5.511 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2I)cc1Cl 603765901 CHDOEKKXZLLKFO-SFHVURJKSA-N 490.703 5.991 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 603917240 IFWHEMYSGNXVFV-RTWAWAEBSA-N 499.615 6.121 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)cc2Cl)c1 609063237 SCKYGMCEQWIBOI-UHFFFAOYSA-N 486.959 5.787 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 609066092 GWZWNKKHVRYLEI-UHFFFAOYSA-N 490.922 5.980 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 609080809 VCFFKUPUVVGKQO-HSZRJFAPSA-N 491.975 6.177 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(Cc1ccccc1)CC(C)C 609088578 GSQBIOUHBDXKFU-UHFFFAOYSA-N 455.558 5.069 30 20 JKED CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@H](c1cccnc1)c1ccc(F)c(F)c1 609151573 DMVQXZGQYWPVDH-SANMLTNESA-N 465.500 5.037 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 609430267 IRMVMILDJMLQMC-INIZCTEOSA-N 486.018 5.787 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 609430402 VKJACDXKZMRHDE-CQSZACIVSA-N 492.047 5.849 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1[C@H]1COc2ccccc2O1 612653226 XUQQNPJZRBUOET-VGOFRKELSA-N 492.601 5.079 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1F 613387118 MAQQXUJQROUADZ-HOTGVXAUSA-N 450.539 5.374 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)nnc1-c1cccnc1 613991983 VXKQQVYPPPCVJX-HXUWFJFHSA-N 453.587 5.051 30 20 JKED O=C(COc1ccccc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)Nc1ccccc1F 618297004 AIZLWBAGVYFSPS-ZIAGYGMSSA-N 492.391 5.046 30 20 JKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nc2ccccc2n1C(F)F 618549766 YSAUCVHOHVIOFN-MXWKQRLJSA-N 458.353 5.265 30 20 JKED Cc1noc(CSc2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 620304104 BAQJSKUJSOTWMS-OAHLLOKOSA-N 468.510 5.562 30 20 JKED COc1cc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1F 622517363 HEVGRIZUCFAMKJ-KRWDZBQOSA-N 451.338 5.086 30 20 JKED Cc1cc(OC(F)F)c(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)s1 622517478 JTQMZCFKGZNKJE-CQSZACIVSA-N 489.384 5.909 30 20 JKED N#C[C@H](C(=O)c1ccccc1SCc1cscn1)c1nc2cc(C(F)(F)F)ccc2s1 642282027 DPRXCDSXGZEZQJ-OAHLLOKOSA-N 475.542 6.554 30 20 JKED Cc1nc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)sc1SCC#N 725718679 KIGVFPIIDQQLEJ-UHFFFAOYSA-N 461.410 5.490 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cccc(COC(C)(C)C)c2)C1=O 726106290 LLOBLBNVDCBGGE-DEOSSOPVSA-N 489.641 5.423 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2CCC(C)C)cn1 726113974 VTEFUBVOTDDJIY-GOSISDBHSA-N 495.621 5.224 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 726322280 UCRFNDCKPMHWGL-ZDUSSCGKSA-N 484.286 6.097 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(C2CC2)C1=O 726420276 HZFPZKFELQNDLV-MFGGBOIGSA-N 478.039 5.271 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)N[C@H](C)c2ccc(Cl)cc2Cl)[n+]2ccccc2)N=C1C 726571231 UPOAOVYHGATVOX-CQSZACIVSA-O 489.448 5.837 30 20 JKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2ccc(N4CCOCC4)c(F)c2)CC3)cc1 727780304 KHQCVGQNPALMNV-JXAWBTAJSA-N 450.535 5.007 30 20 JKED N#C[C@@H](C(=O)CCCCc1ccc(I)cc1)c1nc2ccccc2s1 727952670 PJECEGDVBANYHI-INIZCTEOSA-N 460.340 5.490 30 20 JKED C[C@@H](OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)Nc1ncc(Cl)cc1Cl 728667934 GUJWDJLBCJNKTG-CYBMUJFWSA-N 456.285 5.236 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c1 728780563 UHXKPRNSAMIEGZ-OAQYLSRUSA-N 452.555 5.042 30 20 JKED N#C[C@@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1ccc(OCc2ccccc2)cc1 729369849 NUPABGLCTGRGFI-RUZDIDTESA-N 490.650 5.894 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H]2CCc3c(C)cccc32)cn1 729630819 ATJHBOLTKFHCHC-DNQXCXABSA-N 487.629 5.168 30 20 JKED COc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)c(Cl)c1OC 730432007 ZXMIOLVIQRAVGJ-UHFFFAOYSA-N 460.987 5.130 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 730474294 LHIZXMDMXGGGIH-XXBNENTESA-N 478.639 5.645 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2C2CC2)c1 730528088 VQSDSFQWYNGVOT-HXUWFJFHSA-N 457.983 5.034 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1F 730710323 IQCPHNOTCGFWIY-QFIPXVFZSA-N 492.507 5.267 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)c(C)c1 730944549 YBVTWMHGWWKOLK-GBXCKJPGSA-N 472.614 5.098 30 20 JKED C[C@H](Cc1ccccc1Cl)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 731125071 WUXBCLVWTQBGPP-CYBMUJFWSA-N 469.916 5.050 30 20 JKED N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1 731287466 CJIWOGZECXMTAX-MRXNPFEDSA-N 467.722 5.138 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 731304767 AREZKQARYQZPKA-VWLOTQADSA-N 498.608 5.385 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)CCc2ccco2)cc1 731305766 PAMJBMYCHCXNAL-JPYJTQIMSA-N 477.586 5.275 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc3cccnc23)C1=O)NCc1ccccc1 744997075 LJLUQCBRVNZSDH-XMMPIXPASA-N 480.593 5.073 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 745406523 MLCCMBGJPZDQJN-UHFFFAOYSA-N 488.396 5.663 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(Cc2ccc(C#N)cc2)CC(C)C)c1=S 746055967 MRXGWASZYXIXRG-DEOSSOPVSA-N 475.618 5.100 30 20 JKED COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 746658220 DHBNLABKBVNAND-CLOONOSVSA-N 481.518 6.602 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c1 747601672 FSEBANYUYTZWIC-QFIPXVFZSA-N 492.670 5.525 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cscn2)cc1 747602957 QWQXQXZOHQTUEQ-OAQYLSRUSA-N 464.616 5.427 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(Cl)c1 799222222 YHYNIOCRSTZOIE-INIZCTEOSA-N 466.777 5.240 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@H](C)c3cccnc3)C2=O)cc1 837301168 HFUANBGKTBVTKQ-HOYKHHGWSA-N 486.597 5.314 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2C)cn1 837302503 XNSNFFITNIQBPS-HSZRJFAPSA-N 488.613 5.176 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 837747577 WYFXINSLDZIPKF-VFNWGFHPSA-N 482.968 5.596 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@H](C)c1cccnc1 838533828 HPVWBDCRBVYFIS-NTKDMRAZSA-N 488.613 5.429 30 20 JKED CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(N(C)CCC#N)cc2)NC(=S)N1c1ccccc1 839443347 NKRVGNPWHHVKTH-AREMUKBSSA-N 499.615 5.524 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCC2CCCC2)c1 913117526 AUHXTGKPBQDEGE-QHCPKHFHSA-N 496.608 5.325 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cccc(NC(C)=O)c1 913119301 KTKWVTHHSWEPJG-QHCPKHFHSA-N 474.586 5.169 30 20 JKED Sc1nnc(-c2ccccc2Cl)n1N=Cc1cc(Cl)ccc1OCc1cccnc1 914692624 UGBNSXYANUMGCS-UHFFFAOYSA-N 456.358 5.397 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 915181000 VSHSVKFVPQSNDO-DXBVXKBHSA-N 471.557 5.010 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)N2CCCC2)c1 915353435 UDADWOLJLWRWTQ-SVBPBHIXSA-N 454.574 5.309 30 20 JKED C[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F 915512248 QPSDRTNUUHTYHS-MRXNPFEDSA-N 468.431 5.340 30 20 JKED C[C@H](OC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)C(=O)Nc1sc2c(c1C#N)CCC2 915582892 XGSFDSPPNDZNKG-ZDUSSCGKSA-N 492.601 5.295 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CC(C)C)C2=O)c1 916204338 CPHKHZADKKDDDA-FQEVSTJZSA-N 493.988 5.113 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 916205549 KDWZUDPDHIHWSD-HSZRJFAPSA-N 479.577 5.366 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(Cl)c1C 916205995 NJHWTPYUHXDZKA-SFHVURJKSA-N 499.942 5.274 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)c1C 916207879 NUUVKTFWRCEPKR-QHCPKHFHSA-N 494.567 5.180 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)c1 916210158 BWISLWGTOVGSEZ-QFIPXVFZSA-N 481.524 5.134 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1C(F)(F)F 916210955 IXVXTKLTFAAZLD-IBGZPJMESA-N 491.466 5.598 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C[C@H]2CCCO2)cc1 916211516 DCIAUSYVPUCDPF-APWZRJJASA-N 492.428 5.441 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc3ccccc23)N(CCOC)C1=O 916217282 JQIGVWPTHJSROB-DEOSSOPVSA-N 491.613 5.235 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 916715441 QTMMDCBDUHUILD-KNQUJZAFSA-N 497.020 5.064 30 20 JKED Cc1cccc(-n2c(C)cc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2C)c1 916845653 AQXMIQSWQNIOCI-HXUWFJFHSA-N 456.571 5.482 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCOc1ccccc1Br 916905831 FNTGDZDPWUQKBZ-SFHVURJKSA-N 457.368 5.080 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916907815 XRVRIUBQOWXHPE-VGSWGCGISA-N 473.554 5.265 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 916941663 ANCSUGPMHDLDMT-QHCPKHFHSA-N 476.916 5.057 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977155 LKPAYNLRFXQWJR-GOSISDBHSA-N 455.992 5.320 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1nc2cc(Cl)ccc2s1 917046244 IJOVKHVPRYWTNH-CQSZACIVSA-N 470.938 5.217 30 20 JKED O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccco1)CC(F)(F)F 917220073 OTDPBKBBZLHVND-UHFFFAOYSA-N 455.298 5.070 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1sc2cc(Cl)ccc2c1Cl 917506649 DLBAWRHAPXTTPC-CYBMUJFWSA-N 463.342 5.535 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCOCC1 919904256 CHPDWZQGWUEILL-RUZDIDTESA-N 469.585 5.529 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1 920197965 LFFDXZFLJFCRQX-ZEQRLZLVSA-N 457.961 5.168 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2c(C)noc2C)cc1 920356306 SADATRWJZUTBDH-JOCHJYFZSA-N 497.020 5.722 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc1C 920891529 AISFFMAWGHKTBS-DENIHFKCSA-N 476.602 5.051 30 20 JKED C[C@H](OC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1 920913128 WIMHHSAQJMDDAI-ZDUSSCGKSA-N 456.285 5.236 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)C1 1781460021 WMOLVIWYCGLKPO-ALTZYDRJSA-N 494.582 5.097 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)C1 1781674003 QGXRBAPSCSGQDO-FKCDAAJZSA-N 485.068 5.044 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)CSc4ccc(F)cc4F)cc3)CCC2)cc1 1786323043 FGSUYYALWGRBAS-UHFFFAOYSA-N 491.563 5.305 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CCC2)cc1 1786676338 IHUZFACGHJBGIL-VQTJNVASSA-N 456.558 5.122 30 20 JKED CCc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1787095931 VFQMVYREEFIHSC-UHFFFAOYSA-N 482.584 5.364 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)c(C(F)(F)F)o1 1787397444 HYUHBFHFHVRBRR-UHFFFAOYSA-N 481.474 5.469 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cc2)CCC1 1787429209 GSMXYPMNJDHUMS-PKNBQFBNSA-N 499.514 5.349 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)CCC2)cc1 1787649092 QBEVZCXKAZWXGW-UHFFFAOYSA-N 459.468 5.069 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CCC1 1788244197 DFPGGAYNECIHGB-UHFFFAOYSA-N 492.579 5.185 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2ccc(C3(NC(=O)/C=N/N4CCCCC4)CCC3)cc2)c1 1788358463 LAJAEKCZPBSEKK-RUMWWMSVSA-N 495.627 5.276 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)CCC1 1789064311 ORKKORPHYCDQMO-UHFFFAOYSA-N 484.676 5.429 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)CC34CCCN3CCC4)CCC2)cc1 1789508125 OFPGRUDLUIRSBO-UHFFFAOYSA-N 479.741 5.190 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CS[C@H]4CCCCO4)cc3)CCC2)c1Cl 1789551215 AYMJOLHKGXTMFT-QFIPXVFZSA-N 484.021 5.219 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)CCC1 1789877439 CDGROBVWPGYWDC-UHFFFAOYSA-N 453.411 5.060 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)cc2)CCC1 1789990373 GWJDPDBQTNQEBD-UHFFFAOYSA-N 463.541 5.281 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789994675 LHAJDRQQHFNSMI-IBGZPJMESA-N 483.568 5.767 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCN(c4ccccn4)CC3)cc2)CCC1 1790378271 WWHCPFYEORDGAU-RUZDIDTESA-N 472.633 5.201 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc2)CCC1 1790384359 WMWPRLZEFMKMFG-FQEVSTJZSA-N 457.615 5.026 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C\c3c[nH]c4ccccc34)CCC2)cc1 1790564089 ZPINVNSSIKEDEF-SZJVNEJHSA-N 458.562 5.116 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)c(Cl)c3)CCC2)cc1 1790566490 BIZVBNMVUKDRNP-AWEZNQCLSA-N 480.367 5.681 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1790570045 QEQDOOMPCJEPBB-MRXNPFEDSA-N 493.501 5.322 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)[nH]n4)CCC3)cc2)cc1 1790707309 HHRDNOQMWHLJGN-UHFFFAOYSA-N 475.552 5.204 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CCC1 1791010756 WBWGAVFBLDYHQV-MRXNPFEDSA-N 494.573 5.358 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)cc2)CCC1 1791321578 ZAQMCNHCHDYARP-MDAIXWLXSA-N 495.664 5.416 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCc5ccccc5[C@@H]4O)CCC3)cc2)c1 1792122517 BNOSHDLWYDSIMZ-NFTQTCPJSA-N 493.607 5.357 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cc1 1796468180 DTALIRFHFQPDTM-QEIWAGNOSA-N 487.720 5.360 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cc(Br)ccc2c1 1797984991 SLOZXMIQCHFMTP-UEQSERJNSA-N 481.434 5.623 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(-c3ccccc3)cn3ccccc23)c1 1799193094 ZHHKDEVSEVKSCX-QEIWAGNOSA-N 474.564 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 1800621569 CWYDYANPJSVKKE-KIHHCIJBSA-N 468.601 5.250 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CCCC1 1801235957 GUVHAVVQVDCNIQ-BJESRGMDSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(F)ccc(Cl)c2F)[C@@H]1c1cccnc1 1802503066 PMHUAGBKMZHFQB-VGOFRKELSA-N 475.967 5.325 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@@H]1c1cccnc1 1803084511 RAWPHVDILAYFQS-HFZDXXHNSA-N 489.019 5.371 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1803605984 MCDVJOODGXOUJC-ZNZIZOMTSA-N 473.642 5.023 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)ccc2F)[C@@H]1c1cccnc1)c1ccccc1 1806453616 KETFVLAGJYVFAB-WDXDTELGSA-N 498.602 5.242 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1809106245 NUGWUSARXPHHGR-OFNKIYASSA-N 476.646 5.312 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(F)c3s2)[C@@H]1c1cccnc1 1809201838 TWDPNEJGRQCRQY-URXFXBBRSA-N 477.605 5.523 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1810173809 QPNDEOKIGKZDFS-TZBSWOFLSA-N 463.622 5.369 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1810181010 BKBPBNQETYXMIO-DFCKQENNSA-N 492.063 5.631 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1810273366 VYOHOSMNAQCBSU-NAKRPHOHSA-N 495.784 5.745 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccnc3s2)[C@@H]1c1cccnc1 1810500290 NYQLUMNOLFURSG-IFMALSPDSA-N 462.619 5.003 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811530757 IPYAAIXVTPFHQN-FREGXXQWSA-N 497.639 5.359 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811863777 WFWRYJADUOWEEU-IFMALSPDSA-N 473.539 5.412 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(CC(C)C)cc3)[C@H]2c2cccnc2)c1 1811939366 IJRVSDSFDPGWBL-XCZPVHLTSA-N 480.612 5.094 30 20 JKED CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)cc1 1812029557 KOACZNYBYYAZLB-JYFHCDHNSA-N 487.003 5.193 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)cc12 1813866461 RZYIZWPPVBPRSN-VGKYISKLSA-N 491.595 5.132 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1Cl 1814591265 CSNGOGCEABKGQT-SBUREZEXSA-N 475.980 5.618 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccccc3)n[nH]2)cc1C#N 1816965845 FFJAUCOWZMARKH-RBZOQEBVSA-N 483.572 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@]2(F)CCCCC2(F)F)n[nH]1 1818889452 LGZARPJIZPHLHP-RADWXHQJSA-N 452.521 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)[nH]n1 1819307744 YNWYQWSNPWCGCC-QPPBQGQZSA-N 463.626 5.289 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1)c1ccccc1 1819518776 DJSWNJHZHKHVEG-SQHAQQRYSA-N 491.595 5.461 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc(OCC(C)C)c2)[nH]n1 1819554412 YDWQHAZURBPVCK-NRFANRHFSA-N 467.614 5.138 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(-c3cccs3)on1)CC2 1820100009 LKUODNHIVBDIQM-AWEZNQCLSA-N 470.620 5.078 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccccc4)nc4ncccc34)n[nH]2)C1 1820120048 ZNTXMATVPJYFHL-VWLOTQADSA-N 492.583 5.292 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)[nH]n2)c1 1820484084 FSYWCFZEEARWCH-JOCHJYFZSA-N 494.580 5.368 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2C)n[nH]1 1821336965 SKTFOBJLYVOWAX-FQEVSTJZSA-N 479.408 5.314 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccsc4[nH]3)n[nH]2)c1 1821437576 KYDJIIVNQYBMHE-BTYIYWSLSA-N 472.574 5.199 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](C)S)[nH]n1)c1ccccc1 1821758174 UBIRDERXGLPRTG-PBXXJUDPSA-N 499.725 5.075 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)cc1 1823131614 YPEQBJWWLFOVSM-RUZDIDTESA-N 467.573 5.097 30 20 JKED Cc1cc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1F 1823205736 ABSOTMAIORKFQY-WAIKUNEKSA-N 477.515 5.243 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)ccc1F 1823216360 HOBLSJUJTHOCTD-HXOBKFHXSA-N 459.525 5.104 30 20 JKED CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823218516 SGYRVDNRZVSTSM-UUOWRZLLSA-N 455.562 5.219 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc3ccccc3c2)[nH]n1 1823418261 DJSKJYAHMLMSFV-RUZDIDTESA-N 477.568 5.344 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC(F)(F)C2)CC1 1823692496 GBGDQFYQKMJBIB-FGZHOGPDSA-N 466.689 5.093 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 1823718661 LGMGAXKNIGSSCE-UGOOHZPOSA-N 479.621 5.025 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(NC(=O)OC)c2)CC1 1823753485 QZVYPJJKKPPYRZ-QHCPKHFHSA-N 469.626 5.091 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cnc4ccccc4c3)CC2)cc1 1824046697 OLDJNWYHVNGGEO-LJAQVGFWSA-N 494.639 5.167 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827336802 NKBJEUQFMFDRBH-BKMJKUGQSA-N 490.648 5.091 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)CC2)CC1 1827365416 UBUNCDZSNKDIMG-HHHXNRCGSA-N 492.623 5.439 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2Br)CC1 1827770236 LXWWRBGYJYHKDV-IBGZPJMESA-N 465.432 5.268 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1828821375 LVCAYCBQCYGDIC-RPWUZVMVSA-N 489.701 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(O)c3cc2OC)CC1 1828831481 UZPVBGYPMCNFJN-ZEQKJWHPSA-N 490.644 5.556 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC#N)CC1)c1cccc(NC(=O)OC(C)(C)C)c1 1828889838 DREFIYDJXSAFAW-YKSBVNFPSA-N 496.652 5.061 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419410 NIVVHIIPDWCFID-RPWUZVMVSA-N 477.674 5.812 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(F)CCCCC3)CC2)c1Cl 1829689999 HEAJMAUODCIPOA-NRFANRHFSA-N 459.993 5.117 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 1830579219 YABXOZNRXCQENG-NRFANRHFSA-N 492.929 5.106 30 20 JKED O=C(c1cnccc1F)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602110 QSVWHLGIJCZPPS-GDLZYMKVSA-N 495.598 5.168 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1830606964 WEFHOGLXJIPOSM-GBXCKJPGSA-N 483.653 5.479 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830627914 BDUMRSSXMMVPNB-SANMLTNESA-N 496.611 5.263 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)CC1 1831001445 PAQKRJZFVYQTKS-ISKFKSNPSA-N 481.587 5.515 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCc4cccc(Cl)c43)CC2)c1 1831221728 ALXOQEUWSIPSAR-ZCYQVOJMSA-N 476.020 5.175 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1 1831526115 DXGYSAINJBVCPC-VQMHNJBBSA-N 478.658 5.219 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1832028940 NKKFAQXUSQTYMW-FQEVSTJZSA-N 452.517 5.034 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634806 ZVEAAZNJGBNWFX-RDPSFJRHSA-N 490.673 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)CC1 1837394204 DQSYQEYFXUIDPM-RUZDIDTESA-N 491.632 5.031 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)CC1 1838373455 PDLFLQDEEUOSPI-NRFANRHFSA-N 484.040 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(OCc3ccccc3)c(OC)cc1C)C2 1844203679 CYIONWJTGIVLMG-XMMPIXPASA-N 488.628 5.168 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(-c3ccccc3)nc3ncccc13)C2 1844356675 AQGUXBYWKPEDKM-UHFFFAOYSA-N 468.601 5.106 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174100 PLVAUMGTPPMQOP-UHFFFAOYSA-O 485.960 6.201 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10757532 MOYHOKJVOWEGBN-UHFFFAOYSA-O 469.414 5.598 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(SC(F)F)cc2)c1 11113287 HLHILNMVXZDTAU-UHFFFAOYSA-O 465.517 5.926 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 14872544 MPCUPNUMCLSLGP-UHFFFAOYSA-O 494.946 5.643 30 20 JKED COc1ccc([C@H]2[C@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2c2ccc(C)cc2)cc1OC 15644148 YMJVDWOMUJQOLD-KCWPFWIISA-N 469.541 5.007 30 20 JKED C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1sc2c(c1C#N)CCCCC2 16763486 CCPDJTWBGYEVJV-LBPRGKRZSA-N 453.618 5.265 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2sc(-c3ccccc3)c(C)c2c1=O 17131775 CDGGCXPQLNGEHP-MRXNPFEDSA-N 453.633 5.159 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(F)cc1 20170388 NZOYRSWWYWYWBM-OAHLLOKOSA-N 465.579 5.513 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1cccc(O)c1)c1ccc(Cl)cc1 22732508 GBMDIRJIMMNKPO-UHFFFAOYSA-O 462.776 5.147 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)cc1 22802531 SVQMLLWYZWQUOX-UHFFFAOYSA-O 473.662 5.249 30 20 JKED Cc1nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)n(C2CCCCC2)c1C 26107805 FWKVMWJIBDUVEW-HXUWFJFHSA-N 450.633 6.097 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)CC1 28298341 QXQQODQRTVCPCC-SIBQCDDFSA-N 494.709 5.226 30 20 JKED N#CCSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 29487744 BMSXGFRSBRYJHZ-UHFFFAOYSA-N 491.516 5.374 30 20 JKED C=CCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1[C@H]1COc2ccccc2O1 32559473 RQZQKSJNIITKDC-OAQYLSRUSA-N 464.978 5.779 30 20 JKED CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)cc1 33227477 OLNWSGHEBZKHIQ-UHFFFAOYSA-N 468.538 5.471 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 255930341 FSNOMHDMZWTXDT-DUXBZUBYSA-N 487.069 5.262 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 302642397 SBLXEEJDAUGXMI-AWEZNQCLSA-N 498.952 5.508 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1F 302999511 XWYAOJGEZZXCTL-OAHLLOKOSA-N 460.962 5.263 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cnc2ccccc2c1C(F)(F)F 502127785 VCKRCWPTOHOGER-UHFFFAOYSA-N 460.349 5.923 30 20 JKED CSc1nc(O)c(C(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)cc1C#N 505532265 BYICPYUJFCLRQD-UHFFFAOYSA-N 495.429 5.400 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccccc1)c1nc2c(C)cccc2s1 505858418 ZPMDMQIMKYGCAB-UHFFFAOYSA-N 480.597 5.302 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)c2ccc(-n3c(C)cnc3O)cc2)cc1 508284475 FAOHBYCHDXGDDL-SFHVURJKSA-N 483.528 5.442 30 20 JKED CCN(C(=O)CSc1ncnc2scc(-c3ccccc3)c12)[C@@H](C)c1ccc(C#N)cc1 509601042 NDGMVKCSYTYCJU-KRWDZBQOSA-N 458.612 5.932 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nnn(-c2cccc(Br)c2)c1C 510274403 YMSKNDMZGSKPRX-UHFFFAOYSA-N 488.345 5.563 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s1 510282525 JWSFYFSMPFYLGY-UHFFFAOYSA-N 460.555 5.980 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 511457625 BQOPMTJTTRJUHX-MRXNPFEDSA-N 455.543 5.645 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C 511580151 WGRYTOZDAPUCMR-UHFFFAOYSA-N 477.586 5.297 30 20 JKED C=CCN(C(=O)c1cccc(CN2CCCC2=O)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 511959015 CSKYYWBMSNMIOD-UHFFFAOYSA-N 493.632 6.432 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccc(C(F)(F)F)cn1 513160347 MGNUHLSGROENAU-SFHVURJKSA-N 488.263 5.605 30 20 JKED CCCOc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1OC 514134559 NVLGVRFLKGQNKG-HXUWFJFHSA-N 475.564 5.968 30 20 JKED CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CC1=O 514559064 BNIMUMMZVUPQSA-WIYYLYMNSA-N 468.557 5.559 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)n2)cc1 515032339 VVOVQZJLYYOKTK-KRWDZBQOSA-N 485.396 5.479 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)ccc1OCC(=O)N1CCCCC1 515547388 UYVOCWKNQVINOL-GOSISDBHSA-N 498.004 5.230 30 20 JKED COc1ccc(C)cc1NC(=O)[C@@H](Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccccc1 515759578 PXPOIKNEDAFEMI-PMERELPUSA-N 491.591 6.441 30 20 JKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 516439574 QKQNVBWVLULVOZ-UHFFFAOYSA-N 493.947 5.008 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-])c1ccccn1 516714134 QRYOWIJRUKLPOJ-CZUORRHYSA-N 477.933 5.916 30 20 JKED COc1ccc(Cl)cc1CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517279756 AZOLDGSBAKNCKS-UHFFFAOYSA-N 484.339 5.263 30 20 JKED CN(Cc1ccc(F)cc1F)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 517430494 KEDROZSDONRYPW-UHFFFAOYSA-N 480.771 5.428 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 517465607 NMUWTSGNTLZILS-BTYIYWSLSA-N 486.435 5.297 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 518486652 YJAGQQORHBVYDN-MRXNPFEDSA-N 474.948 5.558 30 20 JKED COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1S[C@H](C)CC#N 519516538 PEJKRZXPZDAPDF-QGZVFWFLSA-N 485.565 5.138 30 20 JKED Cn1cc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c2ccccc21 520955016 AZJBHTFDPRYBKE-UHFFFAOYSA-N 454.477 5.297 30 20 JKED Cc1cc(COc2ccc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc2Br)on1 521768319 CLYYMUPJCFIVKA-NRFANRHFSA-N 482.378 5.617 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 523299184 CFKSYZOLIXOIDM-JOCHJYFZSA-N 498.970 5.860 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1cccc(Cl)c1 523917989 BUADIGNVZCZXQD-NRFANRHFSA-N 463.921 5.219 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c12 552987669 BEWFSJKCMZXBLR-MRXNPFEDSA-N 468.586 5.505 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 573586012 DIQHUMGAQFVJQJ-UHFFFAOYSA-N 452.583 5.618 30 20 JKED C=CCN(C(=O)[C@@H](C)c1ccc(CC)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 589897302 PQUXYLDMVGWUCV-KRWDZBQOSA-N 454.617 5.099 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 591728040 HGBZVQIVRBPKMJ-HXUWFJFHSA-N 470.520 5.160 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC1 592545822 XVCRAZMAUGFDBU-VWLOTQADSA-N 485.588 5.017 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 597227032 OYAVFNZKJIWCRQ-INIZCTEOSA-N 483.622 5.747 30 20 JKED CCOc1cc(CN(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1OC(F)F 603638003 ZKCFZDULXKSUJE-UHFFFAOYSA-N 466.484 5.410 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cccc(COCc4ccco4)c3)c2)c1 603831277 KSIVDFTUOMUQGI-UHFFFAOYSA-N 480.524 5.442 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N(CCc3ccccn3)Cc3ccc(F)cc3)s2)cc1 608887668 NQLHXWDUJFFJOO-UHFFFAOYSA-N 471.561 5.416 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cn2)cc1 608994280 JKKAMVZNJWSCEE-DEOSSOPVSA-N 487.947 5.379 30 20 JKED CCc1c(C)sc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)c1C#N 609032498 JZENKTLVYPRCQT-UHFFFAOYSA-N 482.403 5.687 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cc2Cl)c1 609062498 SLDKXZIGZNYRSI-UHFFFAOYSA-N 481.379 6.131 30 20 JKED Cn1c(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nnc1-c1cccs1 609062730 XWGABAYTTJNACX-UHFFFAOYSA-N 496.017 5.378 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)n2)cc1 609063594 FRCHRDIWYRSJFL-UHFFFAOYSA-N 468.513 5.157 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(NC(=O)CC(C)C)c1 609079126 KENXANGZKGIRNJ-UHFFFAOYSA-N 470.573 5.752 30 20 JKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080610 PQPLLJBYIYBASU-SFHVURJKSA-N 486.963 5.596 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc12 609185204 QOSPTQGEOGRMHS-UHFFFAOYSA-N 476.989 5.604 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 609406309 LYYLHISRIYZBMR-IBGZPJMESA-N 463.647 5.412 30 20 JKED N#C[C@H](C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1nc2ccccc2n1C(F)F 613404423 QSJYFYRVDFYBTG-LJQANCHMSA-N 454.436 6.243 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OCC)c1OCC 613404980 YLBPMDXDFAFWAM-OAHLLOKOSA-N 478.492 6.001 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1 614999997 RSJBETOMQUJGHB-UHFFFAOYSA-N 454.505 5.155 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccc(Cl)cc1 617896495 SUHZVOHLNQENJW-JKSUJKDBSA-N 466.994 5.889 30 20 JKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539866 VXODAUAQVFVCJX-TXEJJXNPSA-N 466.344 6.089 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 619756530 SJTSAKLFOWBSAS-SFHVURJKSA-N 494.523 6.623 30 20 JKED COc1c(F)ccc(F)c1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517873 QGAHCMJTDPMACO-OAHLLOKOSA-N 469.328 5.225 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 623527637 VLBCKTHIKFZLFK-QJPTWQEYSA-N 496.439 7.191 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 645079417 ZOKHCTDMJZZCQW-INIZCTEOSA-N 470.982 5.018 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(Cl)cc1 726396485 FFMHINVNXQZGMI-OXJNMPFZSA-N 459.999 5.034 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(C2CC2)C1=O 726420278 HZFPZKFELQNDLV-NCJDRBFGSA-N 478.039 5.271 30 20 JKED COc1cc(/C=C2/CCc3cc(O)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 726427194 GQWOACZHMSDDCG-PDGQHHTCSA-N 497.469 5.650 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(F)ccc2F)cc1 726570140 UADYOWWPBCBCSD-UHFFFAOYSA-O 482.576 5.662 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2)c1C 727252914 UAITVZCQJNSLDG-QFIPXVFZSA-N 496.036 5.334 30 20 JKED Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cs1 728109999 WALCPFDADUBQTN-UHFFFAOYSA-N 487.537 5.033 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 728110260 XOGFYMOIIQZSDM-ZDUSSCGKSA-N 459.285 5.221 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(-n4ccnc4)cc3)cc2Cl)c1 728121999 SNWRMMHXERVTPC-UHFFFAOYSA-N 457.921 5.298 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccco3)C2=O)cc1 728422419 BLHRRKFGLLIJLD-FQEVSTJZSA-N 482.924 5.104 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cccc4cccnc34)C2=O)cc1 728422582 DAEYRCHJSIALPX-DEOSSOPVSA-N 491.576 5.267 30 20 JKED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(F)cc1-c1ccc(Cl)cc1 728539889 KTVMLHFRGIQUNP-UHFFFAOYSA-N 499.995 5.384 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CCCCC#N)C2=O)c1 728777136 JAAYAMYWQWSBBX-FQEVSTJZSA-N 470.982 5.003 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)c(Cl)c1 728777810 PEJQBVVAALHGHY-IBGZPJMESA-N 476.936 5.272 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)c([N+](=O)[O-])c1 728779069 XIDDFEIRKDYTCQ-FQEVSTJZSA-N 499.980 5.211 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 730686094 CZWATDUELPBTNW-AWEZNQCLSA-N 469.206 5.023 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c3ccccc3n(C)c2s1 731064069 QDGMNSNMKRCUMJ-HNNXBMFYSA-N 463.584 5.583 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 731114318 NNUZPAYFENLEID-YKSBVNFPSA-N 497.668 6.439 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)N(CCC#N)c4ccc(C)cc4)c(=O)c23)cc1 745406131 CXGKTQNSKAKIFO-UHFFFAOYSA-N 456.571 5.079 30 20 JKED C=C(C)COc1cc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)ccc1OC 747063434 KFDUGVMXVFYOON-WQRHYEAKSA-N 455.967 5.169 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cscn2)C1=O)Nc1ccccc1 747602041 YEUMKGNMRMITNN-GOSISDBHSA-N 474.970 5.096 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CCc1nccs1 747603352 UERSINMJSFUKNJ-IBGZPJMESA-N 485.034 5.308 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCc2cscn2)ccc1Cl 748570113 BFQJAOACEPWNPM-UHFFFAOYSA-N 483.398 5.188 30 20 JKED CO[C@H](C)CC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccc(C)o1)CC2(C)C 750152483 DCOMAMFNZXWARU-DZFYGRHCSA-N 468.575 5.206 30 20 JKED CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)[C@@H](C)c3c(C)noc3C)c2C#N)C1 750270126 NJDHNBHIXIZSRE-XJKSGUPXSA-N 457.596 5.051 30 20 JKED Fc1ccc(-c2nc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)cs2)cc1 767114196 KLJPMZKFGLBJBJ-UHFFFAOYSA-N 450.351 5.685 30 20 JKED COc1ccc(-c2nc(SCc3nnc(-c4c(-c5ccccc5)noc4C)o3)nc(O)c2C#N)cc1 824959719 LVPRWLNEGPVVQH-UHFFFAOYSA-N 498.524 5.035 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 825349088 RMPJILNWOODUEF-UHFFFAOYSA-N 479.867 5.458 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N([C@H](C)c3ccccn3)C2=O)c1 837300178 RWXKFZQGHDBCPX-NTKDMRAZSA-N 488.613 5.429 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccs2)c1 837345721 LHOFDFJQIPYUJS-OAQYLSRUSA-N 465.600 5.226 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(SC(F)F)cc2)c1 864751605 BUGFYCHSIJIAAU-UHFFFAOYSA-N 469.538 5.856 30 20 JKED N#CCCCS(=O)(=O)c1ccc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)cc1 904422707 KFSPNRHYHUUDBV-UHFFFAOYSA-N 459.527 5.060 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914546662 RCVXWYKOHNIWAP-HSZRJFAPSA-N 477.561 5.133 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1 914547496 PCXAKWIUGSDGBC-VGSWGCGISA-N 479.005 5.134 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2sccc2C)C1=O 914548970 WOMAYUYRCVYHGC-FQEVSTJZSA-N 483.590 5.365 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)Cc2cccs2)cc1 914693937 AHGKXWHMFANBNY-MBSDFSHPSA-N 493.654 5.026 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 914694247 FXJJYFFKOIHWIU-BTYIYWSLSA-N 469.513 5.149 30 20 JKED FC(F)(F)Oc1ccc(NC(=S)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 914707757 ZOEMTGVNVWBRLX-JZYVYDRUSA-N 454.358 5.781 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc2ccccc2n1C(F)F 915107583 UPBVTBKMADNORA-KNQAVFIVSA-N 457.436 5.376 30 20 JKED CC(C)c1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)c12 915577270 MIWMCAKIWSRPHE-UHFFFAOYSA-N 478.574 5.221 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1Cl 915656352 SNKWEJRYKZJJFQ-VETRKHTQSA-N 483.999 5.886 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 915750857 PDDSLGXLHCAJKP-JOCHJYFZSA-N 492.560 5.467 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 915782379 ZVSSUSJYYIWKLN-SKCUWOTOSA-N 473.576 5.617 30 20 JKED C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(-c2cccs2)nn(CN(CCC#N)Cc2cccnc2)c1=S 915796039 QPZFMMOYDQJVNY-XMGTWHOFSA-N 478.691 5.908 30 20 JKED O=[N+]([O-])c1cccc(-c2ccc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)o2)c1 916278799 WITLDRULMYOCNC-UHFFFAOYSA-N 455.499 5.361 30 20 JKED Cc1ccc(C(C)C)c(Oc2ccc(C=Nn3c(S)nnc3C(F)(F)F)cc2[N+](=O)[O-])c1 916303814 PCQHTKFEEBSZRP-UHFFFAOYSA-N 465.457 5.600 30 20 JKED CC(=O)c1ccc(N2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)c(F)c1 916686714 QKOXUUCAOPQIFP-UHFFFAOYSA-N 486.547 5.027 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1 916710615 MBIDBWMXSFAJRK-QLYXXIJNSA-N 495.432 5.003 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cnn1-c1cccc(Cl)c1 916888197 SZBGFBRTYQPOCI-KRWDZBQOSA-N 460.893 5.110 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 916898880 FJFCSEDLOIFAGZ-LOSJGSFVSA-N 467.569 5.020 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2cccc(Cl)c2)nc1C 916901673 NUFGJRLWPKWUST-HNNXBMFYSA-N 474.369 5.704 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 916912238 ZOPXHQRZIUGTKC-MRXNPFEDSA-N 483.311 5.475 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)cc1Cl 916939973 JTQPPOWLFDKQKZ-IBGZPJMESA-N 485.371 5.003 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 916955655 SOKKXPPJCAXYPG-YJBOKZPZSA-N 490.610 5.048 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)nnc1-c1cccs1 916972290 MSGDFUVFFKUUAI-INIZCTEOSA-N 465.629 5.427 30 20 JKED COc1ccc2c(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)coc2c1 916997095 QPOCXIQFAREVEM-QGZVFWFLSA-N 457.338 6.291 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)C2)c1 917427269 ATJZNVYPABGTMR-WIYYLYMNSA-N 479.005 5.892 30 20 JKED COc1ccccc1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1ccc(Cc2ccccc2)cc1 917612290 OAEKMNPJJXVYKO-UHFFFAOYSA-O 478.597 5.768 30 20 JKED C=CCOc1ccc(/C=C\C(=O)OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1OC 918820659 FDWZTGKBVPDNDB-MRDYAVBSSA-N 489.593 5.052 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1C 918855518 HCVPIORPEPKZEY-UHFFFAOYSA-N 474.944 5.292 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCSc1ncnc2sc(C)c(C)c12 920109846 UWBKDNSZBFGGCX-GOSISDBHSA-N 466.632 5.263 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 920142119 SJWLZOXUSJLXER-KRWDZBQOSA-N 477.958 5.354 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(CC(F)(F)F)C2=O)cc1 920174981 FHSPFSDVFKCBJD-LJQANCHMSA-N 461.509 5.006 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)c3c(C)oc(-n4cccc4)c3C#N)c(C(F)(F)F)c2)n1 920348677 BIHRRBCZYMXYGB-UHFFFAOYSA-N 467.451 5.002 30 20 JKED CC[C@H](C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)n1nnc(-c2ccc(Cl)cc2)n1 920807124 YNKIQNOSUVNQAF-RDTXWAMCSA-N 484.919 5.223 30 20 JKED O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 920837467 WXDULYZSXYXWHM-IUCAKERBSA-N 461.371 5.050 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 920871031 VUHDKTOFKKFQDQ-YJYMSZOUSA-N 498.407 5.375 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc2)cc1 921010800 JTIKOFTYQCBXHQ-KNTRCKAVSA-N 487.581 5.002 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 921252235 FUTKGWYFHMSMRG-OAQYLSRUSA-N 475.561 5.050 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)cc2)CCC1 1788683902 XRROGNJVLVLRSG-UHFFFAOYSA-N 481.499 5.309 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3occc3C)cc2)CCC1)NC(=O)OC(C)(C)C 1788695014 CGGXGYVBGOAPCH-NRFANRHFSA-N 481.593 5.195 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4n(n3)CCCC4)CCC2)cc1 1789508119 NTPOMQHUQAMHRU-UHFFFAOYSA-N 476.697 5.018 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)o1 1789791641 WCZAXACQCIYUSH-UHFFFAOYSA-N 451.643 5.090 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnccn5)c4)cc3)CCC2)cc1 1790079134 FPVGQWRNXYGWJG-UHFFFAOYSA-N 487.563 5.271 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnccn4)c3)cc2)CCC1 1790083208 WWZQCAVQAUEVBH-UHFFFAOYSA-N 462.500 5.103 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(Cl)cc3F)CCC2)cc1 1790569911 WHZSQJNDIACCIB-AWEZNQCLSA-N 480.367 5.681 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)c(Br)c4)cc3)CCC2)c1 1790661691 NAZUMJPOSHCHEQ-UHFFFAOYSA-N 497.780 5.364 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(F)c(F)c(OCC)c4F)cc3)CCC2)C1 1790777429 YAPIGIZFMZCFCS-UHFFFAOYSA-N 458.480 5.217 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3N3CCCCC3)cc2)CCC1 1790785569 JWBVHMKVZFYCMN-OAQYLSRUSA-N 476.621 5.226 30 20 JKED C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1)Oc1ccccc1 1791145045 AUODPYRPPDMFEH-IBGZPJMESA-N 493.567 5.040 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cnccc3C(F)(F)F)CCC2)cc1 1791299832 IYHGIAWVLKZRJZ-UHFFFAOYSA-N 453.411 5.060 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)Cn4cnc5ccccc54)cc3)CCC2)c1 1791510143 GCUOWQZDEIVRGO-FQEVSTJZSA-N 477.568 5.111 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1791589814 IAZLPJSLLYABSW-WWPVKYPJSA-N 481.637 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)cc2)CCC1 1791727847 KZRXRQMHGPCQOJ-OAQYLSRUSA-N 497.636 5.039 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1791730088 GECADHVBAMDUAJ-HSZRJFAPSA-N 483.653 5.254 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccccc4)CCC3)cc2)c1 1792122671 QIGRJXKZZJNHSF-OAQYLSRUSA-N 467.569 5.530 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168956 RQYWDHLWXTUQFU-UHFFFAOYSA-N 457.574 5.287 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C3CCCCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204100 KXQDAZTVUIWDJU-HSZRJFAPSA-N 483.653 5.560 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)CC3CCCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204168 PEKBPVZDZRXJLO-HSZRJFAPSA-N 483.653 5.560 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccc(Br)cc4)CCC3)cc2)CCC1 1792232721 JUWCNQONESAJST-FCHUYYIVSA-N 492.417 5.381 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)c1 1797987236 VRLGZHKQTIQAEU-ZHHJKBAOSA-N 494.517 5.379 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(Cl)cc3)no1)C2 1798331397 LRSFZDGPQSZQHO-WOZUAGRISA-N 453.970 5.015 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800010842 LWIJEHKJQNSVPK-IIZPIQPGSA-N 466.025 5.073 30 20 JKED CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)cc1 1800741160 ZVLBYKXQFXZEHW-NUNAXRQHSA-N 469.507 5.266 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1802498822 NUSYNAVOOUXPDF-ILBGXUMGSA-N 467.730 5.131 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)[C@@H]1c1cccnc1 1802501947 DHOJDNRUANBGOG-XMSQKQJNSA-N 457.977 5.186 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)C(C)(C)C#N)[C@H]2c2cccnc2)cc1 1802686768 RBDNMGZJWQYMPS-BFRVEMNMSA-N 472.633 5.083 30 20 JKED Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)c(Cl)c1 1803630033 OBTBHYYNXVIUBB-REPLKXPHSA-N 475.898 5.105 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc4c2oc2ccccc24)C3)c1 1803684988 SYZYVIYUTWRECG-IITNATTFSA-N 477.564 5.779 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1)c1cccs1 1805391446 BLQXKHQSIJCIIY-IXCJQBJRSA-N 491.616 5.176 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1806681257 IPQQHULQZLGTOW-DHLKQENFSA-N 468.041 5.366 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808160899 YLATXTJAMCXFNG-JTSKRJEESA-N 486.950 5.056 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)CCc3ccsc3)C2)CC1)c1ccccc1 1810036938 VAIBCZQMJOGJQL-RUZDIDTESA-N 462.659 5.109 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1810173544 WCPXGSVEQQYDOC-GSLIJJQTSA-N 484.600 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810499558 ZKNPEQXSLCPMDW-ILBGXUMGSA-N 467.730 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1810500630 ALELLAXHTISDPS-ZHHKINOHSA-N 479.587 5.449 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1810503511 PSXMMNYEIRAEPP-QPPBQGQZSA-N 482.694 5.583 30 20 JKED O=C(NC[C@H]1CCN(C(=O)CC2CCCC2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811251529 LOPROPJBDPPLBT-VEEOACQBSA-N 491.635 5.381 30 20 JKED Cc1ccc2cc(C(=O)NC[C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)[C@@H]3c3cccnc3)sc2c1 1812218819 CHSVCHFTBXQVOW-RBJSKKJNSA-N 494.620 5.039 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(C)s2)[C@@H]1c1cccnc1 1813366775 MQVGRILINUVCPQ-AOERKCTMSA-N 451.636 5.163 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccnc1 1813749808 GJLDWBDARZBKHT-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1 1814377952 XBHAZQQFFRGZOU-YADARESESA-N 487.629 5.087 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)[nH]n2)C1 1814397443 IQDMVFQKNWMLDC-QFIPXVFZSA-N 469.545 5.423 30 20 JKED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1)c1ccc(Cl)cc1 1814660424 LWPVCRFPPXUCIS-ZHRRBRCNSA-N 461.953 5.044 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)cc1 1815245743 AMTVQNVGXHKDRO-ISKFKSNPSA-N 479.650 5.078 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)cc1 1816999235 BJPQGVOMQJRDDB-DEOSSOPVSA-N 490.007 5.192 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)[nH]n1 1819310033 OIDDMLTXCQSALO-FACVGWQGSA-N 466.557 5.031 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820087811 GMTVAYLZWPKLOY-KKSFZXQISA-N 472.549 5.064 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820149578 VCIFGLJCJHWLPR-QHCPKHFHSA-N 499.640 5.555 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)[nH]n2)c1 1820482191 VYKHALPSMJBFHI-NELJVSICSA-N 493.489 5.319 30 20 JKED C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1)Oc1ccccc1 1821785039 XVQCZPKVPCSYJJ-HTAPYJJXSA-N 491.979 5.098 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1821921488 URJNEAGDIGIWOO-DNVCBOLYSA-N 465.520 5.329 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)[nH]n2)c1 1823216129 OZKACQIBAQIWOA-NIYFSFCBSA-N 481.600 5.148 30 20 JKED C=CCCC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(-c4cnco4)c3)sc2C1 1823502166 YQVBAFVTYNJFFE-SFHVURJKSA-N 464.591 5.016 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1824050448 WDPUCYXPBCFDMF-NIYFSFCBSA-N 494.035 5.257 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1 1824058574 RBZQDRJFQYOKTL-GJZUVCINSA-N 474.979 5.057 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1824534812 ZYFXBYCLMGYPRS-SYZQTXEJSA-N 482.612 5.293 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccs3)CC2)cc1C#N 1825315541 NUGJARWOYVSQSU-RUZDIDTESA-N 493.673 5.273 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826511418 YCNJNDFIHCKEPW-ZEQRLZLVSA-N 476.583 5.636 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3cccs3)CC2)cc1C#N 1827079928 MCTNLQSJAAAWGS-UKEJNIAMSA-N 491.657 5.354 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cccs3)CC2)c1 1827080298 TYZIGXNXEPYYMO-FZJPEPRQSA-N 461.631 5.322 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3C(C)(C)C)CC2)c1 1827299465 KQAXDLLRPMQZQJ-RLWLMLJZSA-N 486.660 5.553 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827777962 RCOQMJGQQVTOPE-UYAOXDASSA-N 452.517 5.300 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1)c1ccccc1 1829035970 YCZOHULHWNTAOI-IHLOFXLRSA-N 499.699 5.448 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1829068355 RISCZHJMXDPQPS-OFVILXPXSA-N 454.655 5.411 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ncccc3C(F)(F)F)CC2)c1 1829393219 RBQHOJXRNAFAOR-JPYJTQIMSA-N 498.549 5.275 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1Cl 1829689481 GRGSFIFFKXUBKS-NRFANRHFSA-N 488.390 5.551 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829699322 ZLCAPWPJBVLQIR-IFMALSPDSA-N 463.043 5.274 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1830417669 GRTWTVGASNICME-WZONZLPQSA-N 496.479 5.347 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c(F)c1 1830519741 BKBOJFMSCRTOPT-RUZDIDTESA-N 486.704 5.119 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830717459 MGSAMCHYTFMPQV-RXFWQSSRSA-N 461.581 5.043 30 20 JKED CNc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1 1830755406 FEMVJZSSZBTHAW-XMMPIXPASA-N 498.549 5.166 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831239519 ZKYJKDKWLCEAHB-QFIPXVFZSA-N 483.505 5.465 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1)C(F)(F)F 1831452850 DQQKVBXVKXZEOC-OAQYLSRUSA-N 494.945 5.082 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1832632360 NUJCXZILDXWUCX-WGGMLVHQSA-N 495.623 6.007 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1832633138 CMPWPXRFJLZUIE-WINIVTDRSA-N 486.591 5.481 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)CC1 1835816586 RRYAHPJFCVHGNK-SANMLTNESA-N 485.688 5.129 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)CC1 1836696635 MTBOVILUDCFRPK-UHFFFAOYSA-N 470.679 5.008 30 20 JKED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1847812181 YLLMFHWXSIHWDX-RTFZILSDSA-N 478.555 5.160 30 20 JKED CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C#N)c3)n2Cc2ccccc2)cc1 8621064 GOWRZTUHCCKWJW-UHFFFAOYSA-N 483.597 5.070 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 8936695 MRHVEVKWMNJVTA-IVCQMTBJSA-N 492.626 5.242 30 20 JKED CCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1 9139236 QHKDENPMPSPXIK-KRWDZBQOSA-N 453.999 5.436 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nc2sc(C)c(C)c2c1=O 10339615 NLQZPSOCXGPDKF-MRXNPFEDSA-N 488.704 5.564 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C#N 10711128 LQQBIVYPYJKDIB-UHFFFAOYSA-N 469.872 5.020 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2ccccc2OC)cc1 22686145 FKXQLPJKOSNTNC-UHFFFAOYSA-O 453.653 6.307 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 22695293 QMFSRMBBVJJCEY-UHFFFAOYSA-O 477.349 5.254 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(OC)cc2)cc1 22731271 OWESAMRGXQVNQP-UHFFFAOYSA-O 473.662 6.426 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 22732256 CZGYWWIFEBYSIU-UHFFFAOYSA-O 465.642 6.487 30 20 JKED O=C(/C(=C(/S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1cc(F)ccc1F 22733055 YAXNKHYLPDHPQW-UHFFFAOYSA-O 492.398 6.489 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)cc1 22801434 WRYQGFDMTOERKP-UHFFFAOYSA-O 460.406 5.061 30 20 JKED COc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 26113704 FFRDDLIUHOGLSL-AWEZNQCLSA-N 451.866 5.412 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccccc1 32316028 JDNQOSAFJRLFSS-LJQANCHMSA-N 460.525 5.905 30 20 JKED N#CCCSc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 78669148 ZTBFAJQDIQZWTG-UHFFFAOYSA-N 478.496 5.474 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 106205373 ALKWIBIQUFQEII-AWEZNQCLSA-N 487.350 5.121 30 20 JKED C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1cccc(OC(F)F)c1 107593769 PJUKCKZWBJCNFO-NSHDSACASA-N 493.354 6.002 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1-c1ccccc1F 195568909 YMBHLWGWPBHWDX-DEOSSOPVSA-N 488.588 6.059 30 20 JKED C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1[C@H]1COc2ccccc2O1 409994405 WAAKCZRPKHWFQH-OAQYLSRUSA-N 492.582 5.121 30 20 JKED CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 410388035 ITKILNRYNOQQJB-UHFFFAOYSA-N 472.303 5.394 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 478895982 DIFDYAKEIMUDKQ-UHFFFAOYSA-N 466.463 5.117 30 20 JKED COc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1Br 490243892 LXJPGQKACLBMJG-MWTRTKDXSA-N 464.363 5.479 30 20 JKED C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 494082143 BISPKDOHRHEJKG-VQTJNVASSA-N 473.019 5.190 30 20 JKED C=CCn1c(SCc2nc(O)c3c(-c4ccco4)csc3n2)nnc1-c1ccccc1F 499286187 YJVMXRAPVXJFEM-UHFFFAOYSA-N 465.535 5.533 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)COc3ccc(Oc4ccccn4)cc3)c2)cc1 501419954 HTIIQVZLMLXGGH-UHFFFAOYSA-N 465.509 5.536 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 501851714 SXAHFXDUJPCLKP-VWLOTQADSA-N 455.537 5.410 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 506679410 CXXWXTDBJQXWBS-LJQANCHMSA-N 482.367 5.544 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 508248596 FDQIYMTVPWUWEG-UHFFFAOYSA-N 484.556 5.307 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCCCOc3ccc(Cl)cc3)s2)cc1 510228908 FPNHRYJMWGCCQB-UHFFFAOYSA-N 474.011 5.336 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 512068690 LDEAMIAZWWCZJR-KRWDZBQOSA-N 477.659 5.234 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 514507975 CXTURHPUIGFVMB-QFIPXVFZSA-N 453.951 5.470 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 515827403 XTVWAGYYPUEQNN-UHFFFAOYSA-N 491.576 6.475 30 20 JKED CCn1c(O)nc2cc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)ccc2c1=O 516710786 SSHVDOGMMZXHLO-OAHLLOKOSA-N 485.352 5.042 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)nnc2N2CCCC2)cc1 517447539 KTPDSZNIHBFUDY-LJQANCHMSA-N 492.674 5.159 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 517800975 TZNBZFOUKIWFHZ-QFIPXVFZSA-N 453.523 5.561 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 518683080 HWOQVCYFIYEJJT-NIYFSFCBSA-N 457.599 6.174 30 20 JKED Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 518815632 ODRMUMURANQPEJ-UHFFFAOYSA-N 468.538 5.652 30 20 JKED N#C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc(OCc2ccccc2)cc1 519129412 WRPYROWKSQVUKR-RUZDIDTESA-N 456.473 5.571 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 520128127 WIEIAPITCJMJJP-LJQANCHMSA-N 465.985 5.573 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c12 522486902 ZLTMNGUYECSCBI-MRXNPFEDSA-N 462.893 6.091 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N(Cc3cccc(F)c3)C3CC3)cc2Cl)c1 551725056 WYPXSANUPBNSOE-UHFFFAOYSA-N 477.923 5.059 30 20 JKED O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 585775037 DYTCIVGLSNOKTI-VXGBXAGGSA-N 457.358 5.034 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3cccc(Br)c3)o2)sc2c1CCC2 589944754 LZCDBQAEAXSCNF-UHFFFAOYSA-N 475.393 5.042 30 20 JKED O=C(NCc1ccccc1OC(F)F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 594459697 ZZOJGYVUCZJYDW-UHFFFAOYSA-N 496.770 5.409 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 602738398 KESBDFIVVFSHHN-UHFFFAOYSA-N 484.606 5.973 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 604003766 VLZIMZXAQOOBMN-UHFFFAOYSA-N 461.521 5.836 30 20 JKED C=CCN(C(=O)c1ccc(N2CCCCCC2)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604231579 ZACIREDVXAQYKV-UHFFFAOYSA-N 463.563 5.327 30 20 JKED C=CCN(C(=O)c1cnc(-c2ccc(C)cc2C)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 604508839 SAVAUZZWKGAQDZ-UHFFFAOYSA-N 476.583 6.291 30 20 JKED CC(C)Oc1ccc(CNC(=O)c2occc2COc2cccc(C#N)c2)c(C(F)(F)F)c1 608808921 ATMDGGNJKUEIKM-UHFFFAOYSA-N 458.436 5.466 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cn2)c1 608994725 RIIJPAIGTSSZIB-XMMPIXPASA-N 487.947 5.379 30 20 JKED COc1cccc(CC(=O)N2CCc3ccc(NC(=O)N(Cc4ccc(C#N)cc4)CC(C)C)cc32)c1 608996022 PDSKASCLWRLGSA-UHFFFAOYSA-N 496.611 5.389 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)cc2)c1 609064602 AATNEJNUJOXHJJ-UHFFFAOYSA-N 498.589 5.276 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccnc(OCC(F)(F)F)c3)cc2Cl)c1 609079507 FDHGLMJSVPXTAS-UHFFFAOYSA-N 490.869 5.448 30 20 JKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609086827 ZLTAKQCMNZCVFA-UHFFFAOYSA-N 483.955 5.541 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1)c1ccccc1 609164955 ARKWETRHIFOFFL-UHFFFAOYSA-N 475.548 5.861 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377862 HKHGDFLWCBUHNY-ZDUSSCGKSA-N 461.534 6.641 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 609378127 SDVZAFZYRANGPC-MWTRTKDXSA-N 454.954 6.490 30 20 JKED FC(F)(F)[C@H]1C[C@@H](C(F)(F)F)CN(C/C=C/CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 618451166 OBMIIDUQOFZYRX-DFNZGJFHSA-N 494.364 5.668 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC(C)C)cc1 726414588 CJCWDXFQEKKPTF-DEOSSOPVSA-N 491.613 5.234 30 20 JKED COc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)c(OC)c1 726570628 HNFDOODLMVJCJH-UHFFFAOYSA-O 466.970 5.148 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1 726732610 HIOPTPXUWAAPET-LJQANCHMSA-N 450.491 5.001 30 20 JKED COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SC[C@H](C#N)CCC#N)cc1Cl 726796537 DIYATGGWJKIDCR-DZBQEORWSA-N 456.980 5.331 30 20 JKED Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 726959424 KYFNEENICVPWND-UHFFFAOYSA-N 495.495 5.152 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc(Cl)nc2)[n+]2ccccc2)C=C1 727159515 HUPDXVFNVRKISY-UHFFFAOYSA-O 468.002 5.142 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(Cl)ccc(C)c1Cl 728428657 ABRZGJFFMVTGGX-INIZCTEOSA-N 464.349 5.034 30 20 JKED Cc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)[n+]2ccc(C(C)(C)C)cc2)cc1 728556311 IINXNGGHGBCESH-UHFFFAOYSA-O 496.678 5.087 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN(C)[C@H](C)CC#N)c1=S 728902138 INWPRCFBOIZVAS-JAZQRGJZSA-N 457.619 5.321 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c(C)c1 729144804 ZCODFHGDLVKZGZ-HXUWFJFHSA-N 482.606 5.368 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 729634257 KBIAHUKPWNMRKD-NRFANRHFSA-N 496.539 5.152 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ncccc3C)C2=O)c1 729634683 QXADTUIMZNAIRN-HSZRJFAPSA-N 494.567 5.446 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cocn2)cc1 730712438 LZMMGVGUVZQXBQ-NRFANRHFSA-N 466.538 5.098 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O 730716666 XYMAOVNMVGFMOH-IBGZPJMESA-N 489.384 5.450 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2cocn2)C1=O 730730503 WGMFXOLDIUNPPE-USBHSWCUSA-N 489.022 5.288 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 730944957 JDXXCGIYKLSFCC-FNZWTVRRSA-N 494.620 5.634 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730945125 NNGDCAVLWYHFDX-NYHFZMIOSA-N 498.530 5.529 30 20 JKED COc1cc(C2(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)CCCC2)ccc1C 731083995 ADJVMYAUYIFFMG-LJQANCHMSA-N 466.603 5.392 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 746697409 DUYHCORFZVQJGX-JOCHJYFZSA-N 471.598 5.220 30 20 JKED O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F 756282438 QKTRFXMCNHTOLG-BQYQJAHWSA-N 494.775 5.211 30 20 JKED N#CCn1c(CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)nc2ccccc2c1=O 767291326 NZBMEKXOCDTIOI-UHFFFAOYSA-N 498.999 5.173 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)CCc2ccco2)c1 837349379 WSEZEDJMJIGQAO-SBUREZEXSA-N 495.576 5.409 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@H](C)c3ccccn3)C2=O)c1 837806648 USJHUZJQINVRHF-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(OCc2cccc(F)c2)cc1 839414390 FNMKAWIZJVWSOS-UHFFFAOYSA-N 478.549 5.145 30 20 JKED Fc1cccc(OCc2noc(-c3cc(OCC(F)(F)F)ccc3OCC(F)(F)F)n2)c1 904719977 DEBKMXMFPOMITE-UHFFFAOYSA-N 466.309 5.337 30 20 JKED COc1cc(-c2cc(C(=O)N(C)Cc3cccc(C#N)c3)c3ccccc3n2)cc(OC)c1OC 914449767 JQZNRRXCNDCBEM-UHFFFAOYSA-N 467.525 5.071 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914552105 SXOXCLSLBKBFJH-UNMCSNQZSA-N 453.995 5.092 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@H](C)C2CC2)ccc1Cl 914687757 BSLPUZZFEKXHLV-QGZVFWFLSA-N 459.011 5.124 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 914866549 MIGJDYMHXNJWFU-UHFFFAOYSA-N 493.397 5.941 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 915032824 YALICCSVBHHOKF-UHFFFAOYSA-N 482.323 5.107 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CCC)CC(F)(F)F)ccc1Cl 915104221 DYSYXBPALDFJOC-UHFFFAOYSA-N 474.932 5.136 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1sc(Cc2ccc(F)cc2)nc1C 915398872 CFHSJSGDNWJKPX-MRXNPFEDSA-N 458.580 5.003 30 20 JKED Cc1cccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2[C@H]2CCCC[C@H]2C)c1 915795717 IASWUCXTAYLAPO-QPPBQGQZSA-N 460.651 5.909 30 20 JKED N#Cc1ccc(-c2ccc(OC(=O)Cc3csc(NC(=O)c4ccccc4F)n3)cc2)cc1 915802309 QZBKWNXDQLIRGA-UHFFFAOYSA-N 457.486 5.221 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(OC)c2)N(C2CCCC2)C1=O 916205615 HYBDABZDOBTJRA-HSZRJFAPSA-N 481.618 5.387 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 916206810 VXHCSRREVGJQRE-FQEVSTJZSA-N 495.979 5.314 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(OC)c2)cc1 916206968 WAZJULHTALQTNB-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCCC3)C2=O)cc1OC 916210912 IHLIYMIBKMHEAD-OAQYLSRUSA-N 488.009 5.260 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccccn3)C2=O)cc1Cl 916211194 LQKWWVOHEJXXPG-OAQYLSRUSA-N 482.968 5.343 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2C2CCCC2)cc1 916214525 OCXTZGMBAOQCBJ-QHCPKHFHSA-N 479.602 5.191 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccccc2C(F)(F)F)cs1 916259434 GQEBZYJTCBBMHI-UHFFFAOYSA-N 472.414 6.311 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2sc(Nc3ccccc3)nc2Cl)cc1 916546485 UFZAZZBFALYAAZ-UHFFFAOYSA-N 461.403 5.960 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3ccccc3)n2-c2ccc(C)cc2)cc1 916623001 VTQCCAUXYLAURJ-QHCPKHFHSA-N 454.555 5.220 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 916899286 JCMDQBQFWUVUOL-DGCLKSJQSA-N 455.725 5.079 30 20 JKED C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916909163 OYHJJNPOVPXCRV-WTNAPCKOSA-N 453.498 5.035 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 916912469 ZKFUCQQVQYBIJX-SFHVURJKSA-N 456.889 5.484 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 916919208 UBAYUISULQMFBJ-FQEVSTJZSA-N 489.988 5.211 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc(C3CC3)nc21 916944853 OMCPXAXNQXLUAH-QGZVFWFLSA-N 456.333 5.158 30 20 JKED CC(C)n1ncc2cc(/C=C/C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)[nH]c21 917029930 CSEZSOAYVQBPRW-WPKJMGDYSA-N 487.629 5.119 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 917328031 NYGGMKOQQQSPBO-CYBMUJFWSA-N 492.837 5.586 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(-c2ccccc2)cc1 917613979 WHKZQYVAXANXTF-UHFFFAOYSA-O 462.598 6.398 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)cc1 917682416 UUPQKZNDTJIHOF-DEOSSOPVSA-N 487.629 5.125 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)c1 917697327 ZMIYCHGJUFMXOU-OAQYLSRUSA-N 496.589 5.006 30 20 JKED Cc1cc(C)c(N2C[C@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2=O)c(C)c1 917802983 CAWNQHZESUSIQP-XMMPIXPASA-N 467.569 5.249 30 20 JKED Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)s1 918306792 HYCVOXBJEXKQRF-MUUNZHRXSA-N 493.632 5.922 30 20 JKED COc1ccc(-c2nc(COC(=O)c3ccc(COc4ccccc4C#N)o3)cs2)cc1OC 919513161 CFRPJURSXOYIDM-UHFFFAOYSA-N 476.510 5.228 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 920109271 NMYOSIAYFMFSEM-HSZRJFAPSA-N 465.509 5.138 30 20 JKED CCOc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc3ccccc23)cc1 920352601 QNVXDXUZXQPKML-DEOSSOPVSA-N 473.598 5.039 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2c(C)noc2C)C1=O 920354215 AQDTZVAHTZGKDJ-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 920354914 IJDLCSWQHHCGLP-HXUWFJFHSA-N 486.956 5.244 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N\C[C@@H](O)COc1cccc(Cl)c1Cl 920386721 FFZNEFSZFZRVCB-RHVCWIFSSA-N 497.998 5.083 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCc4c(ncn4-c4ccccc4)C3)c2)cc1 929075125 MQPVOVKEFJNQAP-UHFFFAOYSA-N 463.541 5.108 30 20 JKED CCOc1ccsc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1785771187 ASDVDMUGPDMMDN-ZHACJKMWSA-N 480.611 5.395 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COC4CCCCC4)cc3)CCC2)c1 1786016897 MJTWPTGAVDDFQI-FQEVSTJZSA-N 459.590 5.411 30 20 JKED Cc1c[nH]c(C)c1CCC(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1786205844 TVLCGGWEKKGSEO-UHFFFAOYSA-N 454.574 5.078 30 20 JKED CCc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1787094387 AVWJWFXTNZQTIO-UHFFFAOYSA-N 458.949 5.231 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(C(F)(F)F)c4)cc3)CCC2)cc1 1787212540 OFQPWAVHOFKEKG-UHFFFAOYSA-N 478.474 5.228 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)cc(Cl)c4[nH]3)CCC2)cc1 1787888891 LYBSZQTWHZUFNO-UHFFFAOYSA-N 499.796 5.635 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccnc5ccccc45)cc3)CCC2)c(C#N)c1 1788890901 AJNQFHWOLVCTTP-UHFFFAOYSA-N 490.563 5.105 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)CCCC4=O)cc2)CCC1 1789041356 LTFBBVHRSQXSCB-UHFFFAOYSA-N 452.501 5.165 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1789211684 IQRASIVHVKJEHQ-VJBMBRPKSA-N 483.653 5.416 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(-c6nccs6)noc5c4)cc3)CCC2)C1 1789225370 PFOLHNKGERJASL-UHFFFAOYSA-N 484.581 5.665 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@@H]4c4ccc(F)cc4)CCC3)cc2)c1 1790072727 IDCXWIOHWNGZRN-CLJLJLNGSA-N 483.543 5.257 30 20 JKED Cc1ccc(CSCCC(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc1 1790149238 XWIQFBCUINRQGB-UHFFFAOYSA-N 472.614 5.266 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cccc(F)c3F)cc2)CCC1 1790328003 UABCKZZSWKWSQU-VAWYXSNFSA-N 466.509 5.213 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@]3(C)C[C@@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1790428110 UBXZJGORARNVHU-JCWFFFCVSA-N 469.626 5.026 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C#N)c3)cc2)CCC1 1790520231 JUVLFODRDLZEKW-NBVRZTHBSA-N 471.532 5.379 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4occc4Br)CCC3)cc2)cc1 1790707914 XJZUTYWXJCWPQM-UHFFFAOYSA-N 478.346 5.170 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C4(F)CCC4)CCC3)cc2)cc(C(F)(F)F)c1 1790787467 MNUZFOXIBUUVJI-UHFFFAOYSA-N 459.443 5.217 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)[S@](=O)c4ccccc4)cc3)CCC2)c1 1791061777 BZVUKMAAATYGSK-CPYONXFTSA-N 499.636 5.258 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1791583142 QQCVCFWSRAKKEM-SCTDOJESSA-N 455.602 5.302 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cc(C)oc4C)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682178 RWLNJYSUXATRPS-QHCPKHFHSA-N 493.604 5.210 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(NC(=O)OC(C)(C)C)C[C@H]3C=C)cc2)CCC1 1792337256 FNCJGODRRAAXEX-YOZPAVSOSA-N 493.648 5.358 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(Br)cc1)C2 1798594406 FKCUQHTZHQJFPS-XUZQTMSHSA-N 459.428 5.093 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)(C)C)cc1)c1ccc(O)cc1 1800498814 BTRBGUNLDBVJPF-JBXUNAHCSA-N 488.628 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2cc(Br)ccc2c1 1801017706 QIWWPOSDYHRMLI-CIAFKFPVSA-N 482.422 5.018 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C(F)(F)F)c1C)C2)c1ccc(O)cc1 1802425240 ZXWQMBXQELZRCJ-YUMYIRISSA-N 498.545 5.168 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1c1cccnc1 1802498890 OYYVUJMEZUDQEB-DVECYGJZSA-N 462.569 5.014 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@H](C)c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 1802835423 QTNSALQJBQGIRA-GVCORALISA-N 487.003 5.038 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3nc(C)sc23)[C@@H]1c1cccnc1 1803083835 KGIBYGOVINMXOS-ZJSXRUAMSA-N 474.630 5.088 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1803086257 HKJCRJKTEBFKHJ-BKMJKUGQSA-N 498.652 5.637 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)[C@H](c4ccccc4)N(C)Cc4ccccc4)CC3)C2)C1 1804785382 BHTUFZZMVVKEGD-NDEPHWFRSA-N 485.672 5.057 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)C1 1804858803 NRULXXCVEXNVGN-UHFFFAOYSA-N 451.611 5.014 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC2(CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)C1 1805333233 LFYGYLRYNFZEGO-ACCUITESSA-N 486.999 5.382 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC[C@@H]2CNc3ccccc3C2)[C@H]1c1cccnc1 1807202386 GIYMERSKBBWAEF-UTOLSJPLSA-N 488.676 5.144 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1808596881 LEMXYQCDRHPHRS-RPLLCQBOSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1810173849 XJVNORGWSHDEOL-JQVVWYNYSA-N 475.511 5.090 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)cc2F)[C@H]1c1cccnc1)c1ccccc1 1810572469 USJJJHZJWUMODZ-PNIUZAESSA-N 483.587 5.046 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(F)c3Cl)[C@H]2c2cccnc2)c1Cl 1811419530 HXFIGZFGKCTORR-SBUREZEXSA-N 497.357 5.033 30 20 JKED CCCOc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1812026214 BKWXEVWYJVOSNH-PTJQVGQKSA-N 496.611 5.131 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(OC(F)(F)F)c2)[C@@H]1c1cccnc1 1812589722 CDEWRUGQRLUNCD-HZUJVAHNSA-N 495.929 5.165 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@H]1c1cccnc1 1812590556 KUDHYFDJUQWEAV-UHORWHLBSA-N 489.566 5.559 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1812668841 XTKDDIFTNISBSP-CVDCTZTESA-N 499.945 5.526 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1813145716 YAGNSCDWLSVQPJ-XKDCRVNJSA-N 493.957 5.215 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2C(F)(F)F)[C@@H]1c1cccnc1 1813966511 BHWCJUPPCLTEOZ-AVRDEDQJSA-N 491.529 5.552 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)[nH]n2)cc1 1814498185 UZMVZSUCAGZDIX-HSZRJFAPSA-N 498.974 5.032 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c1 1814580013 WBXBOIOICYJQIL-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCCCC2(F)F)n[nH]1 1815351534 XENUKMRFAIVOHK-QUCCMNQESA-N 478.660 5.278 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C(C)(C)C)oc3C)n[nH]2)c1 1816462608 ARDAHFDQVZOQHH-JOCHJYFZSA-N 489.576 5.109 30 20 JKED C#CCCCCC(=O)N[C@H]1CCc2nc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)sc2C1 1816933257 LSDJJPAILUSALX-HNNXBMFYSA-N 469.010 5.006 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)c1 1817003598 HEKOZZCZAOURNP-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nn(CC)c3ccccc23)n[nH]1 1817750165 RMESWEYGFJKFAU-OAQYLSRUSA-N 462.598 5.078 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1sc2ccccc2c1Cl 1818606720 BRZHMOJATFMORU-WUERFNLMSA-N 495.992 5.296 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cc[nH]c34)n[nH]2)cc1C#N 1818773191 FBCGTAAGOQYUQF-HSZRJFAPSA-N 496.571 5.170 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818773406 QNBDMZRGXSYMJR-LJQANCHMSA-N 487.025 5.567 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2)[nH]n1 1819553552 LOVWHPRTGRIHGO-JOCHJYFZSA-N 452.599 5.036 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)nc2Cl)n[nH]1 1819676714 MDADLLBKTNRNFF-KRWDZBQOSA-N 462.381 5.186 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n[nH]1 1819737946 BGCRILHPFOOQMY-SFHVURJKSA-N 462.381 5.186 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(Cl)s2)n[nH]1)c1ccccc1 1819915626 JSBJRKKEHAFISM-IEBWSBKVSA-N 482.009 5.023 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc(-c4ccccc4)s3)n[nH]2)c1 1819932262 ZCKODBQVEKUGPJ-QFIPXVFZSA-N 496.596 5.333 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(F)F)cc2Cl)n[nH]1 1820188091 WLSQMXJNMHCLJP-LJQANCHMSA-N 478.927 5.164 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)c(F)c3)n[nH]2)c1 1820237758 GJDJRWOZQBKMIU-XMMPIXPASA-N 482.519 5.035 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1)NC(=O)OC(C)(C)C 1820806974 GBSYQDZNTKRSJG-PZJWPPBQSA-N 487.645 5.008 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 1821157524 KXPZJIDKUKMXIV-UUOWRZLLSA-N 459.594 5.335 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821280457 SRMMYQHIQOZCLJ-MWTRTKDXSA-N 486.963 5.182 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1821987734 PYQDHZUGKUMHBH-OAHLLOKOSA-N 475.298 5.373 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)ccc2Cl)n[nH]1 1823129112 GEGXGJVJJWVZKU-UTKZUKDTSA-N 456.974 5.146 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)ccc(Cl)c2F)n[nH]1 1823275176 BRYKFLOFQOYKDP-KSSFIOAISA-N 462.928 5.416 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3sc(Br)cc3C)CC2)C1 1823701772 OIFPYWBVABDCJZ-SFHVURJKSA-N 465.457 5.019 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(O)ccc3n2)CC1 1823752475 UUJICDCXIQLJPN-VWLOTQADSA-N 463.622 5.166 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824054554 ZPCCYJBOTQUALO-RUZDIDTESA-N 479.571 5.011 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccccc2OC)CC1 1824320932 HAMNPUBLTABSDQ-XMMPIXPASA-N 454.655 5.240 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3sccc3F)CC2)c1 1824729395 JWSNTRQZUHMYMN-VGOFRKELSA-N 453.583 5.061 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825765661 VJYCFUSCXDGMFB-LOSJGSFVSA-N 475.633 5.652 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)c1 1826399999 CFUVGBYAACQVMW-GDLZYMKVSA-N 495.623 5.196 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn3ccc(Cl)cc3n2)CC1 1828329242 AIINOPYTBAYRDZ-JOCHJYFZSA-N 471.045 5.213 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1 1828903989 QNQIETGSMWXAKX-AZGAKELHSA-N 470.705 5.368 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(OC)c(C)c2)CC1 1829068364 RZEAVVSCIBDLHK-DEOSSOPVSA-N 454.655 5.158 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1829068501 ZJWMBVQHDLZHJS-HLJPNSHOSA-N 454.577 5.331 30 20 JKED CSc1ncccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829482750 FBOWROKFOOXYFH-HSZRJFAPSA-N 485.770 5.088 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471736 LHQJQPHLPPCYMX-XMMPIXPASA-N 473.057 5.554 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)cc2F)CC1 1830475506 NYPGVEDLCMRISU-JOCHJYFZSA-N 450.957 5.045 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)cc1 1830632159 BDKKTPBHPGCZMW-DEOSSOPVSA-N 467.972 5.092 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CCCCC3)CC2)ccc1Br 1830685807 ZFUIZDRBLPGGEF-HSZRJFAPSA-N 486.454 5.134 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755737 OGXIXBDVMMKASY-JTSKRJEESA-N 461.528 5.023 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 1830767474 DAVNSSQOEVVNHW-HXUWFJFHSA-N 456.011 5.129 30 20 JKED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cccc(Br)c3)cc2)CC1 1830803565 IXLATTDMEZSCSJ-DEOSSOPVSA-N 494.433 5.263 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)c1 1831287732 QQXBOVHFDCKXPS-VWLOTQADSA-N 476.020 5.177 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1831371298 XAYYPTOOTPPUDN-FDDCHVKYSA-N 470.013 5.441 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cc(Br)ccc2Cl)CC1 1831851846 BCEVZBQVXTZDAF-QFIPXVFZSA-N 493.873 5.068 30 20 JKED Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832634644 YITHVKAKWXAKLJ-FQRUVTKNSA-N 461.581 5.308 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)cc3C(F)(F)F)CC2)C1 1832705877 BMURCIYRWWEEHS-NRFANRHFSA-N 452.492 5.044 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707127 HVDUGQCJJRAARK-JOCHJYFZSA-N 484.534 5.061 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)CC2)c1 1832714570 MZJUBESLWYPKAF-HSZRJFAPSA-N 488.390 5.551 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1835457274 HAZVDHUAOPYDGW-LOSJGSFVSA-N 486.100 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCc3cc(C)cc(C)c3)CC2)CC1 1838424453 IVAJUSUDKKKIEX-UHFFFAOYSA-N 468.682 5.227 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2cc3c(ccc4ncccc43)s2)C1 1844639606 UTKWQMFUKPGZAX-UHFFFAOYSA-N 489.717 5.318 30 20 JKED COc1ccc(/C=C2\N=C(SCC(=O)c3ccc(C#N)cc3)N(c3cc(C)cc(C)c3)C2=O)cc1 3242384 RSALSBQMXGRDBV-MYYYXRDXSA-N 481.577 5.544 30 20 JKED COc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(C)c3)=C2C)cc1 10358040 VQTASBULWZXIBK-VWLOTQADSA-N 468.582 5.224 30 20 JKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2n1C[C@@H](C#N)CCC#N 14301121 PYOWNHBGUWBVON-VGOFRKELSA-N 482.415 6.304 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(C#N)c(Cl)c1 17012452 ICCIFRJJRMORON-LBPRGKRZSA-N 460.342 5.101 30 20 JKED C=CCn1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nnc1-c1cccc(C)c1 22010774 MNEKPGBPUCJJQV-UHFFFAOYSA-N 467.904 5.238 30 20 JKED Cc1occc1-c1nnc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1Cc1ccccc1 23599878 IVKYIIQQVYGVIH-UHFFFAOYSA-N 463.950 5.151 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)c2)c1 31776564 VGGDVXNPUFLANX-UHFFFAOYSA-N 459.452 5.642 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cnc4c(cnn4Cc4ccccc4)c3)c2)c1 32290163 JURALGRBTAWFAK-UHFFFAOYSA-N 459.509 5.183 30 20 JKED COc1ccc(/C=C2/CC(C#N)(c3ccccc3)C/C(=C\c3ccc(OC)c(O)c3)C2=O)cc1O 33655862 ZTFHFIWMQZRAFM-VZHHCOETSA-N 467.521 5.406 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 68806178 HKPNHBQQJUZXSQ-UHFFFAOYSA-N 491.016 5.743 30 20 JKED Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCc2cccc(C#N)c2)cc1 213945641 AKKHJOMZZSMIIR-UUYOSTAYSA-N 453.523 5.273 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)nnc1-c1ccncc1 303007532 WBLZBELXJSBGGW-QHCPKHFHSA-N 476.005 5.177 30 20 JKED CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 303140500 DNOKEMZWDJIZID-UHFFFAOYSA-N 468.962 5.225 30 20 JKED Cc1ccc(-n2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c3c2CCCC3)cc1 409552010 FPJWYOKTVSOWST-UHFFFAOYSA-N 452.480 5.136 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc(-c2ccccc2)cs1 410387949 IBXKEDACOJQGJT-IBGZPJMESA-N 496.592 5.271 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1Cl 499214002 VXQAAZSDSYLBJR-ZDUSSCGKSA-N 454.868 5.279 30 20 JKED C=CCN(C(=O)c1ccc(Br)cc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 499316555 OSQDDTXYISFLDS-UHFFFAOYSA-N 474.336 5.322 30 20 JKED CCOc1c(Cl)cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1OC 501432835 FWSPHPWFJWWYCO-UHFFFAOYSA-N 450.922 5.645 30 20 JKED C=CCOc1c(Br)cc(/C=C(/CC(=O)O)c2nc3ccccc3o2)cc1OCC 502357323 KTCHYQRELPXEGN-GDNBJRDFSA-N 458.308 5.569 30 20 JKED COc1ccc(COCc2cccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2)cc1 502618543 AFYSKCHOEUPWCD-UHFFFAOYSA-N 498.583 5.166 30 20 JKED Cc1csc(-c2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)n1 506092874 VOLZVSUXRQSIQI-UHFFFAOYSA-N 459.531 5.093 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3OC)C2)cc1 508289280 OOQBLHBOVWVPKN-HXUWFJFHSA-N 472.545 5.016 30 20 JKED C=CCn1c(SC[C@@H](O)COc2ccc(C(C)=O)cc2)nc2scc(-c3cccs3)c2c1=O 508503872 PNLULPJMAHJZHR-KRWDZBQOSA-N 498.651 5.107 30 20 JKED CCOc1ccc(CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C(C)C)cc1 509207390 ACDKZOOMXGDAMA-UHFFFAOYSA-N 456.546 5.652 30 20 JKED CCN(CC#N)C(=O)c1cc(/C=C\c2cccc(OC)c2)nc2ccc(Br)cc12 509218520 OIHXRHVWIBDWTN-CLFYSBASSA-N 450.336 5.162 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 510247278 ZVMXMCIDBRNBQK-UHFFFAOYSA-N 459.575 5.880 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nnc1-c1ccco1 510643085 DJOKEBMNMCODMR-UHFFFAOYSA-N 471.995 5.811 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1 513064134 OFRFTQTVUIEZEV-AREMUKBSSA-N 473.548 5.560 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)nc2ccccc21 513659510 GAGIEMRGVPGFAO-QGZVFWFLSA-N 459.893 5.237 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 515691135 XYTZWTUZWSGOQJ-UHFFFAOYSA-N 494.414 5.540 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 516241214 FJCSTTGSOWJLSY-UHFFFAOYSA-N 484.440 5.123 30 20 JKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517121717 ACXVKEDCKBOMBO-CQSZACIVSA-N 469.875 5.440 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 517474278 YXBXRHYOMQAFFY-FQEVSTJZSA-N 458.631 5.989 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)s2)cc1OC 517492206 NBLMWEUYUDJUCQ-OAHLLOKOSA-N 462.358 5.437 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 517831900 OPAWHAXHLRCTBO-GOSISDBHSA-N 453.498 5.563 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1csc(-c2ccc(F)cc2)n1 518665765 OEYJKGQWBZUKBV-OAHLLOKOSA-N 457.621 6.215 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 519031474 OGBBBOWPFKKBRU-UHFFFAOYSA-N 456.468 5.796 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)o1 521500332 JFEKMOPBRKHOLJ-VWLOTQADSA-N 463.493 5.304 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 521588889 YJFIFDBWIQWUSE-UHFFFAOYSA-N 475.351 6.223 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)cc2)c1 521808094 CISLTTWKVLAMAN-RUZDIDTESA-N 486.959 5.984 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)cc2)c1 521811142 VETQHQHVSCXKRG-UHFFFAOYSA-N 484.600 5.243 30 20 JKED C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 522429296 SBVRKDXPEXKJGP-ZBLYBZFDSA-N 456.565 5.245 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 523853255 FWYGBQUEMRMUKV-UHFFFAOYSA-N 464.481 6.027 30 20 JKED C=CCN(C(=O)c1cnn(C)c1C(F)F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 589288348 SKTCKLVUUPFVBW-UHFFFAOYSA-N 450.514 5.981 30 20 JKED COc1cc(-c2cc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)c3ccccc3n2)cc(OC)c1OC 591862008 IHPBICRLSWACNY-JOCHJYFZSA-N 489.531 5.966 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)cn2)c1 603740218 XEMWWVPEYCJMIY-QGZVFWFLSA-N 467.451 5.014 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccnc(Oc4ccccc4)c3)c2)c1 603831303 QKGRRTLKWFKPII-UHFFFAOYSA-N 463.497 5.320 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)c2)cc1 603921345 RZMVKWXTRMSJLN-UHFFFAOYSA-N 497.576 5.385 30 20 JKED C=CCN(C(=O)c1cnc(OC(C)C)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603947993 PVEQKBLAZBAVIV-UHFFFAOYSA-N 458.927 5.387 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 603991627 DZKQQXMEAYEZIT-UHFFFAOYSA-N 457.584 5.005 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)c2)c1 603995943 SAVSUNYQWDWHKC-UHFFFAOYSA-N 470.916 5.690 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604421056 SLNQNNAKBQANBX-QLPKVWCKSA-N 499.411 5.315 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCC(=O)Nc1ccccc1SCC#N 604448347 QINVKOCWFDLZIC-UHFFFAOYSA-N 498.530 5.932 30 20 JKED COCCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](C)c1cccc(C(F)(F)F)c1 604499480 CPRQEYQPIIMVNY-QGZVFWFLSA-N 484.478 6.006 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 609078590 BDDOOPDQJQUPJN-IZZNHLLZSA-N 459.521 5.627 30 20 JKED CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 609079999 QMNUCESUHATSFX-GOSISDBHSA-N 483.012 5.195 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 609080978 QOZIPWNLKIMFHV-NRFANRHFSA-N 494.599 5.529 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OCc1ccncc1 609209529 ATAOMAGLCPBLSC-HXUWFJFHSA-N 494.551 6.216 30 20 JKED CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1SC[C@H](C)C#N 609377495 WKRURNUZYFVGTJ-NIYFSFCBSA-N 459.615 5.414 30 20 JKED C=CCn1c(SCc2ccc(OC)c(OC)c2Br)nnc1-c1ccccc1OC 614507991 KSFGCSBQYZZZHW-UHFFFAOYSA-N 476.396 5.212 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2cc(C)ccc2C)c1 615083245 HGHMWYLCKDZFGW-UHFFFAOYSA-N 469.006 5.615 30 20 JKED C=CCOc1ccccc1CN(C(=O)Cc1c(C)nn(C(F)F)c1C)c1ccc2c(c1)OCCO2 620381674 XIMRNPWXNICIRN-UHFFFAOYSA-N 483.515 5.007 30 20 JKED CNC(=O)C[C@@H]1S/C(=N\[C@H](C)c2ccc(Cl)cc2Cl)N(Cc2sccc2C)C1=O 726395636 FHNYUYRIQPPFDA-ZFCFOLAQSA-N 470.447 5.061 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(CC[C@H](C)OC)C1=O 726396268 DKMKTQWNCYAOTQ-YCRPNKLZSA-N 490.025 5.042 30 20 JKED Cc1cc(C)c(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)cc1C 726572294 XQJGOUJHYUGDMN-UHFFFAOYSA-O 450.971 5.453 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2c(c1)CCC2 728424454 BJSRBNIWYHFAAX-IQGLISFBSA-N 495.608 5.163 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(CC3CC3)C/C(=C/c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728697661 VCEJKZPOZRCOFR-QNJRLDGESA-N 467.569 5.030 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1 728780761 YJJQFAAWYWQGMU-JOCHJYFZSA-N 484.572 5.742 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2c(C)noc2C)cc1F 730444246 KHPWRCGVQWCEFI-QFIPXVFZSA-N 498.555 5.081 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O 730461138 LFQLOMGQQDJXBN-FQEVSTJZSA-N 475.973 5.309 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2C2CCC2)cc1F 730461722 HAYPAFBZDDXRSX-FQEVSTJZSA-N 491.972 5.009 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)cc1F 730535093 JRUMQYZXTTZYHF-SFHVURJKSA-N 476.371 5.019 30 20 JKED Cc1cc(C(=O)COC(=O)c2ccc(C#N)cn2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 730892372 NAJLHBWTGHAQNN-UHFFFAOYSA-N 461.827 5.073 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 731067021 MEILDDGOTJHBMK-MRXNPFEDSA-N 494.594 5.376 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731307152 PRTFIDSRJITBNE-ZHRRBRCNSA-N 481.549 5.106 30 20 JKED CCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)s1 731310569 KQUKHYMRIUUNEB-NRFANRHFSA-N 483.590 5.316 30 20 JKED Cc1sc2ncn(N=Cc3cccc(OCc4ccccc4C#N)c3)c(=O)c2c1-c1ccccc1 731314424 DREXNTLPWZAYAX-UHFFFAOYSA-N 476.561 5.766 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 743695311 GLVMHWAHZBTNFY-UHFFFAOYSA-N 467.312 5.020 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)c1cccc(N2CCOC2=O)c1 745588119 IHHDJHKEEMICGR-UHFFFAOYSA-N 477.586 5.436 30 20 JKED C=CCc1cc(/C=C(\Cl)c2nc(O)c3cc(-c4ccccc4)sc3n2)cc(OC)c1O 747063288 GGNAHIIVPYZRGB-WQRHYEAKSA-N 450.947 6.244 30 20 JKED COc1cccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2cnn(CC#N)c2)c1OC 747434856 ZHXBDPLXPUBWJZ-CTBJKRMSSA-N 493.567 5.347 30 20 JKED Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 749191856 LIYRFYGFLNJATK-NRFANRHFSA-N 477.362 5.173 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 763435388 ABLUUMDLKNHXQY-UHFFFAOYSA-N 490.610 5.314 30 20 JKED C=CCn1c(=S)sc2c(=O)n(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)cnc21 825292318 CNFWZVWIDPKYDM-UHFFFAOYSA-N 466.535 5.366 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@@H](C)c3ccccn3)C2=O)c1 837834128 AGNIRMNKSDQCKR-MBSDFSHPSA-N 474.586 5.120 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@H](C)c1ccccn1 838481520 IZWHKQIHMVECBR-JPYJTQIMSA-N 474.586 5.120 30 20 JKED COc1cc(/C=C\C(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C 900790914 BBGOTEVXHMWERI-BENRWUELSA-N 484.474 5.079 30 20 JKED N#Cc1ccc(N2C[C@H](c3nc(-c4ccc(COc5ccccc5)cc4)no3)CC2=O)cc1Cl 904444509 AIPRXMCDEYPPPJ-HXUWFJFHSA-N 470.916 5.361 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(CC)CCCC)ccc1Cl 913419066 KNUSONVFTRDXPW-UHFFFAOYSA-N 469.434 5.637 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccc(F)c1 914772969 SBEOQYVUMRJUMD-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccccc1OCc1cccnc1 915945349 ZYUBWNIEKHBBIZ-UHFFFAOYSA-N 486.984 5.943 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccccn2)C1=O)Nc1cccc2ccccc12 916209675 QFGFGFVLDHFGQZ-RUZDIDTESA-N 498.583 5.577 30 20 JKED COc1cc2c(cc1NC(=O)NCCCc1nn(-c3ccc(F)cc3)c(N)c1C#N)oc1ccccc12 916668385 HMGWILTZGMSZHO-UHFFFAOYSA-N 498.518 5.128 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 916909517 KLNVLOXSTNABSM-LJQANCHMSA-N 468.376 5.025 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916912423 ZECXUTWDYMGLTB-HSZRJFAPSA-N 497.576 5.713 30 20 JKED N#C[C@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 916976281 AZAMNWUEYRIGEH-GOSISDBHSA-N 457.045 6.822 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1 917042481 BUJCGZNPDXRCDV-VQTJNVASSA-N 459.958 5.687 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\CCOc3cc(Br)ccc3C2=O)cs1 917560148 HYIXMUUHUPIGHO-LFIBNONCSA-N 483.387 5.947 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(Cc2ccc(C#N)cc2)C1=O 917674134 NHMHJKIOWCCTRF-RUZDIDTESA-N 498.608 5.344 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3)C2=O)cc1 917704940 QRBOAPJSEGLPDW-XMMPIXPASA-N 484.581 5.117 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 918548440 DQRVUPFMSPPCEO-UHFFFAOYSA-N 463.607 5.257 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 920139564 UYVHLQAQVVEZSO-QFIPXVFZSA-N 470.550 5.896 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3csc(-c4ccc(Cl)s4)n3)n2)cc1 920144316 MYPXAMFZPYVDGU-HNNXBMFYSA-N 472.016 6.076 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCO[C@H](c3ccc(Br)cc3)C2)c1=S 920306300 REBKTEOHYRYGQB-FQEVSTJZSA-N 489.414 5.200 30 20 JKED N#CCCn1cc(C(=O)COC(=O)CCSc2ccc(Br)cc2)c2ccccc21 920582310 WEVKIRZITGSYOP-UHFFFAOYSA-N 471.376 5.226 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(N3CCCC3)c2)c1 920738133 BIOAQIHZMMFFNP-UHFFFAOYSA-N 456.571 5.142 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1C 920854853 SFNASGZWHPAVFJ-UHFFFAOYSA-N 487.604 5.700 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 920866823 KEGIUKXOHYENGZ-HNAYVOBHSA-N 493.601 5.244 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2ccccc2c1 920871486 VBPZVIUKBBIDEB-MWTRTKDXSA-N 497.567 5.361 30 20 JKED Fc1cc(F)cc(Oc2ccc(C=Nn3c(S)nnc3[C@@H]3COc4ccccc4O3)cc2)c1 921256767 XMVCGAPIPFLSQA-NRFANRHFSA-N 466.469 5.032 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)N(CCC#N)c1ccc(F)cc1 926220789 QTLJQQBQDHSQJS-HNNXBMFYSA-N 471.941 5.024 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1 1778422590 COXJPPRGRGAHSK-SNSRZVPCSA-N 497.639 5.242 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(-c3ccccc3)c(F)c2)C1 1780116660 YNPIJLXKJHHNKQ-UCVANPEUSA-N 490.619 5.389 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccc(Cl)cc5)nn4C)CCC3)cc2)C1 1785808684 VWDMBIDZKXLFQU-UHFFFAOYSA-N 474.992 5.454 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)C(F)(F)C(F)F)cc3)CCC2)c(C(F)(F)F)o1 1786603229 QWEQYKCCGUWAKQ-UHFFFAOYSA-N 466.353 5.255 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)Cc3c(Cl)ccc(OC)c3F)CCC2)cc1 1786679617 ATWJFDUHUDXRIS-UHFFFAOYSA-N 477.001 5.084 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)c1 1788786016 OVMNAUYAARNXDL-UHFFFAOYSA-N 492.501 5.353 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789074134 OHFJGYKEGDSRCR-MRXNPFEDSA-N 466.969 5.370 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1789458233 REINOMBDWOLLSI-XZOQPEGZSA-N 481.637 5.288 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1789494323 QCFWTOHLQDQCCC-XMMPIXPASA-N 498.583 5.144 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)/C(C)=C/c4ccc(C)o4)cc3)CCC2)c1 1789585889 XXXFQSBURKBYAO-QGOAFFKASA-N 469.541 5.320 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cc4ncsc4[nH]3)cc2)CCC1)c1ccc(O)cc1 1789669926 RSURUZMYGODLRF-IBGZPJMESA-N 498.608 5.275 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)[nH]4)cc3)CCC2)c1 1789674348 SJSHXFMZCHUJSJ-UHFFFAOYSA-N 466.463 5.275 30 20 JKED CC(C)n1nccc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1789799590 JAAFFNVBIKUMDW-UHFFFAOYSA-N 464.686 5.263 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3n[nH]c4cc(Cl)ccc34)cc2)CCC1 1790373791 WYSVHAKQJQGARR-MRXNPFEDSA-N 450.970 5.105 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H](NC(=O)OCc3ccccc3)C(C)C)cc2)CCC1 1790481862 NDIBABYHQHCLEX-DEOSSOPVSA-N 477.605 5.038 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791298740 UKLBTGWZZIPCHL-FQEVSTJZSA-N 491.579 5.122 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)CCC2)cc1 1791298755 URLLGVIXGYXAEN-PCCBWWKXSA-N 454.542 5.220 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3c(CC)noc3C)CCC2)cc1)c1ccc(O)cc1 1791642747 PLOMWKYYPGIXFK-NRFANRHFSA-N 485.584 5.196 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cn(C)c5ncccc45)CCC3)cc2)c1 1792124811 JHQZEDRCWCIPGN-LJQANCHMSA-N 477.568 5.262 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)o3)CCC2)cc1 1792337269 HDMDVFBOEZOVLS-AKJBCIBTSA-N 499.995 5.150 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1nc(-c3ccccc3)sc1C)C2 1798331874 BOLYVAWNFCENEN-KAOXLYBCSA-N 463.647 5.068 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C2)c1ccccc1 1798555081 OINHPKQWYHSOLJ-NDBXHCKUSA-N 482.546 5.083 30 20 JKED C=C(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C(F)(F)F 1800793281 FLHNOHPTQBCHAD-QDMKHBRRSA-N 479.326 5.151 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1802502321 AXVWOQPDXZGPPQ-UPVQGACJSA-N 488.657 5.517 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803092561 WEKCHWWAYMHNEI-WIOPSUGQSA-N 485.550 5.117 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](c3ccccc3)C(C)C)[C@@H]2c2cccnc2)c1 1803228292 VCRDKKNLRLQTBF-KZQOYIJHSA-N 480.612 5.021 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810267897 QNWBFZQZPAZTTI-UKILVPOCSA-N 467.730 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC#CC)c2ccccc2)[C@H]1c1cccnc1 1810443091 FBWGACIWCUNZND-ZZXHUEHTSA-N 469.629 5.053 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2(C(F)(F)F)CCC2)[C@H]1c1cccnc1)c1ccccc1 1810444250 OOJUXKRCSAFSPO-HJOGWXRNSA-N 497.561 5.017 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3cn(-c4ccccc4)c4ncccc34)C2)CC1 1810449008 ITMYLMMPWXCGKF-UHFFFAOYSA-N 496.655 5.639 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1810500391 OVSDHMNBVLUPAG-NBGIEHNGSA-N 493.051 5.837 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(SC)cc2)[C@@H]1c1cccnc1 1810501906 DLNPBVYFLOGTGZ-WIOPSUGQSA-N 465.663 5.044 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3c[nH]c4nccc-4c3Cl)C2)CC1 1810674140 DHJBFHPJOPHBOZ-UHFFFAOYSA-N 457.018 5.005 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1 1812804216 JBKNZHPXPUJHFW-GGXMVOPNSA-N 488.676 5.588 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1812905158 NGTFQVUDWLWGCA-JIKAXIMKSA-N 472.633 5.245 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1812905160 NGTFQVUDWLWGCA-UBJSKUQYSA-N 472.633 5.245 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@]2(C)CC=CCC2)[C@@H]1c1cccnc1)c1ccccc1 1813579951 BPMDYJCXGQOJPU-VEAWFHDZSA-N 469.629 5.031 30 20 JKED Cc1ccc(/C=C/C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)s1 1813869810 RAJMQUKJAOUWHS-GKDLUEHXSA-N 484.625 5.112 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813977609 MWUKYQARDMBUHD-GAJHUEQPSA-N 492.834 5.555 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@@H]1c1cccnc1 1813991067 PCOOFORRMWNOHE-OZXSUGGESA-N 493.623 5.322 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n[nH]2)c1 1814372388 MPKPLHDRKRSUMK-QFIPXVFZSA-N 472.936 5.036 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)[nH]n1 1814444185 WVYUMUSNIQHCFN-UGKGYDQZSA-N 452.599 5.252 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)cc1 1815244260 ZCBXKLFLFXVMCL-XUZZJYLKSA-N 477.634 5.040 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c(C(C)(C)C)c3)n[nH]2)c1 1816111838 VERTUHLWPMUVJX-JTSKRJEESA-N 472.593 5.282 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)cc2s1 1819386925 PCYUFKWTXMVNMF-OAQYLSRUSA-N 495.725 5.618 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)[nH]n1 1819554796 PFGWBUGVEHDWJB-NRFANRHFSA-N 469.536 5.468 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3nc(C)sc13)CC2 1819599964 PHBXHORVWPNDEX-HZPDHXFCSA-N 466.632 5.055 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)[nH]n2)cc1 1820549893 VFMCAKSKSRBICG-XPNTWCBSSA-N 473.964 5.044 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)n[nH]2)cc1 1821084255 ZWAGRNQZPZFYKY-OAQYLSRUSA-N 499.468 5.253 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)cc1 1821274390 FMRHWERLSLFFDH-WAIKUNEKSA-N 491.979 5.053 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)c(C(F)(F)F)c2)n[nH]1 1821861179 LUUXVNVXGZGTJM-DYESRHJHSA-N 492.517 5.571 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1Cl 1823212672 KZKCXFOTKSGECM-UZUQRXQVSA-N 475.980 5.618 30 20 JKED COc1ccc2[nH]cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)c2c1 1823215425 RGZYUIXZMJMVJI-CRICUBBOSA-N 496.571 5.146 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1823752446 SSTSNKZMMUSUNN-SANMLTNESA-N 477.649 5.475 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1823811180 CUQFONZZIMTKQN-GDLZYMKVSA-N 492.623 5.096 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@@H](C)C#N)c3)CC4)cc2s1 1824023904 LTFCZULNPLAZFV-GUYCJALGSA-N 489.626 5.161 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnc3ccccc3c2)CC1 1824047676 WJKWJDMUOIZUHL-XTEPFMGCSA-N 473.661 5.556 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(OC)cc2Cl)CC1 1824139808 RVAWGQQKSWKFQS-RUZDIDTESA-N 473.057 5.279 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824226229 QGXADQDOCLGJDX-OAHLLOKOSA-N 496.539 5.322 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](S)C(C)C)CC1 1824540370 HXTVCCSAQFTXNC-FUHWJXTLSA-N 487.529 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)cnc2C)CC1 1825451846 XQLMUZDWCNLKFG-FYYLOGMGSA-N 488.470 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occ(Cl)c3c2)CC1 1828826995 PWQXILWKLCKIFH-ZJSXRUAMSA-N 469.025 6.088 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)c1 1829956830 UMHFZKJEQMQRDN-AREMUKBSSA-N 487.003 5.307 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 1829973621 IPDGQGHQHQYNGX-WOJBJXKFSA-N 457.467 5.181 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1830447862 SBXZAOYTLUKCJI-NDEPHWFRSA-N 478.596 5.167 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccoc3cn2)CC1)c1ccccc1 1830820040 VHNHIHPQHXXBIJ-XNMGPUDCSA-N 483.612 5.258 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)CC1 1830889016 CLRQYESGEMMUOI-NZQKXSOJSA-N 453.652 5.540 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831019037 KDZYLNHBBTVXEI-KOSHJBKYSA-N 454.014 5.334 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1)C(F)(F)F 1831455593 LIQKTBCBKQUXJR-KZNAEPCWSA-N 468.482 5.093 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1831578071 WHOLSOPPJPDENU-KXKJEIKKSA-N 457.659 5.315 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832709512 YJMYRUXJAWJFOD-KRWDZBQOSA-N 468.413 5.030 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)CC2)CC1 1836543753 XAVOTQKTZFXKMG-AQYVVDRMSA-N 499.099 5.003 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc4ccoc34)CC2)CC1)c1ccccc1 1838416869 UBHWQQFTTUBWPS-MHZLTWQESA-N 498.623 5.242 30 20 JKED C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)C(=O)Nc1ccccc1C#N 8620793 DJLUEIHGKGCQSF-PQMNFKMDSA-N 463.493 5.370 30 20 JKED CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cs1 10778111 FHKOJKRHIXWTBF-CYBMUJFWSA-N 490.368 5.517 30 20 JKED CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1cccc(C)c1 14082056 SZHNEZYSMBLUFA-UHFFFAOYSA-N 451.621 5.206 30 20 JKED C[C@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nc1sc2c(c1C#N)CCCCC2 16074045 VOSRBXFXYKTNQY-LBPRGKRZSA-N 484.672 5.185 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1/C(O)=N/c1nnc(SCc2ccccc2)s1 21956157 ZUHIGIYWJIOZRC-UHFFFAOYSA-N 472.592 5.950 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22692651 BSQKTVWPKHYTLL-UHFFFAOYSA-O 481.641 5.611 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccccc2)cc1 22732592 REIYYIYNAFHPPN-UHFFFAOYSA-O 456.385 5.186 30 20 JKED C[C@@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 23539314 AZIPNYYTHKBEND-LLVKDONJSA-N 498.680 5.265 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(C(C)(C)C)cc2)c1C 28793317 ITKTYBTXALPCGR-UHFFFAOYSA-O 484.592 5.748 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc3c(c2)CCCC3)c1C 28793552 GHBSHJXTOFXFGQ-UHFFFAOYSA-O 474.650 5.668 30 20 JKED COc1ccc(N2C(=O)c3ccccc3NC23CCC(C#N)(c2ccccc2)CC3)c(OC)c1 45447416 UPFYFGYIMKQRPT-UHFFFAOYSA-N 453.542 5.508 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 106115357 YHHBHHRWAMQLSK-UHFFFAOYSA-N 480.553 5.625 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1nc2cc(Cl)ccc2s1 195664152 LHAUJTBIHRLQQV-HNNXBMFYSA-N 494.425 5.268 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 195681263 PCXNCNNOAHHNEX-UHFFFAOYSA-N 463.562 6.355 30 20 JKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 485964934 SLLPIKAPNNTSTO-AREMUKBSSA-N 455.558 5.270 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(CN3CCSCC3)c2C)cc1C 490067694 OFZCCTJLJHJIOF-UHFFFAOYSA-N 473.646 5.190 30 20 JKED CCN(C)[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccc1 490174600 RTHVESLVOZMFQL-HXUWFJFHSA-N 458.509 5.256 30 20 JKED N#C[C@H](C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nc2ccccc2n1C(F)F 501317695 XJFSLHVIHLNQBK-OAHLLOKOSA-N 486.404 5.398 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501750824 ZPESGZRTQWPEJN-UHFFFAOYSA-N 489.579 5.210 30 20 JKED C=CCN(C(=O)c1oc2c(C)cccc2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 505995797 KSALFDPFKBFDFS-UHFFFAOYSA-N 466.584 5.409 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 509976746 NNPSAFYDGWDZJX-KRWDZBQOSA-N 455.624 5.024 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)s2)cc1 510243534 QUGQZBIFQMSHII-UHFFFAOYSA-N 492.561 5.350 30 20 JKED Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](Nc5ccc(CC#N)cc5)C4=O)cc3)sc2c1 510653464 VUMOLNUFHVPDRY-QFIPXVFZSA-N 452.539 5.082 30 20 JKED Cc1ccc(Sc2ccc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cc2[N+](=O)[O-])cc1 513162347 XLYGHYDYCIEBAP-KRWDZBQOSA-N 457.433 5.958 30 20 JKED CCOCCOc1c(Cl)cccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513861973 PKJDROOLEFECSY-UHFFFAOYSA-N 481.955 6.000 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccccc1OC 514954843 MFQBRTHRACBURG-SJLPKXTDSA-N 454.621 5.046 30 20 JKED N#Cc1ccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1Cl 515159582 MLDWRAIAYVCDDR-UHFFFAOYSA-N 468.738 5.408 30 20 JKED Cc1ccc(-n2ncc(C(=O)NCCSCc3ccccc3C#N)c2C2CC2)cc1Cl 515875488 SSPNMTOROKUQHT-UHFFFAOYSA-N 450.995 5.246 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3CCN(C(=O)CCc4ccccc4)CC3)cc2)cc1 519053822 USHZWIWMWYYWOO-UHFFFAOYSA-N 468.557 5.096 30 20 JKED C=CCc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1OC 523063086 HYKLLFQPCUUPMR-FQEVSTJZSA-N 477.388 5.373 30 20 JKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524437528 QGIVPRDFCDIICG-UHFFFAOYSA-N 476.964 5.851 30 20 JKED N#CCc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 603730416 CQVXSKFJGCYVMI-GOSISDBHSA-N 472.397 6.009 30 20 JKED CSCc1nc2ccccc2n1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603765976 HBRQWQLHWMWPMK-FQEVSTJZSA-N 460.990 5.847 30 20 JKED Cc1nc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)sc1SCC#N 603775489 IXBMLLFXUXKIPZ-UHFFFAOYSA-N 454.524 5.770 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4cccc(Br)c4)C3)cn2)cc1 604400357 QTLYWNMZFVCNFP-GOSISDBHSA-N 492.377 5.156 30 20 JKED Cn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 609062632 WQLCFFANMYJVJZ-UHFFFAOYSA-N 487.903 5.352 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1ccc(Br)o1 609078537 XEBAMQKBAWOTNZ-UHFFFAOYSA-N 454.324 5.465 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 609078632 DOCUIHUSBFFEEP-UHFFFAOYSA-N 481.021 5.510 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(CN2CCCCCC2)CC1 609079270 SZUDIZALPYLWJM-UHFFFAOYSA-N 460.622 5.566 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)c2)cc1 609175823 HERHZWFGPYFICQ-UHFFFAOYSA-N 462.918 5.785 30 20 JKED COc1ccc(COCc2cccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)cc1 609207963 SJMBHWMCJAPHEW-UHFFFAOYSA-N 471.557 5.359 30 20 JKED COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387202 SHWQHKZURQYZFT-GFCCVEGCSA-N 457.905 5.812 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 609427744 HSNVWHBOUFLOAZ-SFHVURJKSA-N 450.585 5.307 30 20 JKED CCCCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 612894862 SNIZPGQSPGFYKA-LJQANCHMSA-N 463.946 5.350 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc(-c4ccc(C)cc4)cs3)cc12 613318983 LOWSFQNVLBETJY-OAHLLOKOSA-N 466.360 5.861 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nnc1-c1cccc(C)c1 617936756 XMXXVNDUTYAMNP-OAHLLOKOSA-N 457.397 5.321 30 20 JKED C=CCN(C(=O)c1ccc(-n2cnnn2)c(C)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 617943866 BIBUZLSPSGMSFJ-UHFFFAOYSA-N 478.581 5.594 30 20 JKED O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618301530 RLDHRWBNYKLIQU-HOTGVXAUSA-N 486.431 6.496 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)o2)cc1 622058660 ONTKCQRXQWDPRE-UHFFFAOYSA-N 473.520 5.313 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(=O)N1CC2(CCCC2)c2c(F)cccc21 624421982 CFPHQJPGYQYTOM-WDNDVIMCSA-N 480.424 5.010 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 642282692 WCXWSPKBVLFONT-IBGZPJMESA-N 483.478 5.783 30 20 JKED C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1OC 644493419 LIYPHICRGUJBKK-UHFFFAOYSA-N 463.390 5.567 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)nnc1-c1ccc(OC)cc1 677844393 MSERQSMPLPGFGG-DEOSSOPVSA-N 470.598 5.290 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCC(C)(C)c2ccccc2)cn1 726117388 YJZHHEQTVNNSFH-HSZRJFAPSA-N 489.645 5.231 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1cc(F)ccc1N1CCN(C)CC1 726280553 VUXZENCZOIVBGY-RXFWQSSRSA-N 471.580 5.116 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccccc3Br)n2C)cc1Cl 726321497 KPJUQPHBSJBADU-OAHLLOKOSA-N 486.753 5.078 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)cc(C)c1 726399231 MXPWCGKLOGGFJC-REWPJTCUSA-N 467.635 5.306 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 726411084 GNMDIPABTLZGKX-CYFREDJKSA-N 468.582 5.093 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2ccccc2F)C1=O 726420518 IMSLTGBIWUQTRK-QGPWZHNMSA-N 497.617 5.486 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc3c(c2)CCC3)cc1 726569725 IUHUTUQZEPZNSZ-UHFFFAOYSA-O 486.661 5.873 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2cccc(O)c2)cc1Cl 726570512 CGWGVDCNDVCIHR-UHFFFAOYSA-O 496.999 6.099 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)cc1Cl 726571378 FUVJAJQUTJVWLQ-UHFFFAOYSA-O 491.807 5.622 30 20 JKED COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N 726626847 HMPYEPVXXBORRR-NJDFMEINSA-N 479.410 5.867 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cc(C)on2)cc1Cl 726893408 ZWFDJSFWHADEGY-NRFANRHFSA-N 498.992 5.114 30 20 JKED Cc1ccccc1-c1nc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 727560790 GCGUYCXGAAFOHI-OAHLLOKOSA-N 465.600 5.505 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 728778672 FAZFFWWYWGHADO-QHCPKHFHSA-N 456.571 5.494 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(N(C)C)cc2)ccc1Cl 728840795 WWVHZKVECHDPOG-UHFFFAOYSA-N 484.021 5.064 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 729144724 YKSPCTLAXDVLMS-GOSISDBHSA-N 490.532 5.029 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 729632779 AIOVJBVJRNFWGE-QFIPXVFZSA-N 479.005 5.512 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ncccc2C)cc1F 729633546 DZSHWSCMIAOUOF-QFIPXVFZSA-N 480.540 5.137 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 729794915 ZZDACZIWOJEUKF-LOSJGSFVSA-N 457.961 5.592 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2C2CCC2)c1 730462604 OPGZBVUZVCBJTA-LJQANCHMSA-N 490.944 5.209 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 730686736 IOGWLIUIHNHKNO-CXAGYDPISA-N 499.441 5.005 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730726112 BEKGPYWWBILOCG-LJQANCHMSA-N 490.919 5.075 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@@H](C)c1cccnc1 730944888 HPVWBDCRBVYFIS-CYFREDJKSA-N 488.613 5.429 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 731059505 BZFOARHDCWRKSY-GOSISDBHSA-N 487.606 5.757 30 20 JKED Cc1nn(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c(C)c1Cl 731064581 SMFVGJLXUQJRJE-HNNXBMFYSA-N 482.993 5.332 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)s1 731069860 MUSQQKACTXIRBO-HNNXBMFYSA-N 454.548 5.744 30 20 JKED N#C[C@@H](C(=O)CCCSc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 731136638 SCLABFQAZIFKNW-HNNXBMFYSA-N 486.218 5.976 30 20 JKED Cc1ccc2c(c1C)OC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731305290 BOZQASCSLYMIMM-GOTSBHOMSA-N 487.581 5.103 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)cc2)c1 731312845 QJGXLCQHBTWGSI-JOCHJYFZSA-N 481.524 5.139 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Br)cs2)n(C2CCCCC2)c1C 743041764 IQVHZVHWYBMFIK-UHFFFAOYSA-N 464.385 5.101 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)ccc1F 743523848 DRJJDMJKMFKDQA-GOSISDBHSA-N 498.407 5.438 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S 745162740 UTJFGRBWGWUVHD-UHFFFAOYSA-N 452.587 5.042 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(F)cc1F 745584464 PBEZZARTRRFXHW-QFIPXVFZSA-N 499.514 5.273 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1C 746695956 JMONOSGOUYOZCP-JOCHJYFZSA-N 471.598 5.220 30 20 JKED C=CCc1cc(/C=C(\Cl)c2nc(O)c3c(-c4ccccc4)csc3n2)cc(OC)c1O 747063961 RZZCNSDLAQUMII-WQRHYEAKSA-N 450.947 6.244 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3cc(-c4cccs4)on3)n2)cc1 747112112 XKZHDSXUQZRBCO-QGZVFWFLSA-N 451.598 5.945 30 20 JKED CCOc1c(OC)cc([C@H]2NC(=O)N(CC3CC3)C(c3ccc(Cl)cc3)=C2C(C)=O)cc1OC 751257954 IKPIUZIRYGNCRC-HSZRJFAPSA-N 484.980 5.233 30 20 JKED COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 797195430 JSXYMIYXYZCXPU-SSDVNMTOSA-N 485.414 5.053 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(CC(F)(F)F)C2=O)cc1 799223420 QKJQEFMTDMZMRX-SFHVURJKSA-N 483.487 5.055 30 20 JKED C=CCc1ccc(OCC(=O)O[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1 820579399 WWCOOXULDZMNIB-SFHVURJKSA-N 475.566 5.564 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@H](C)c3cccnc3)C2=O)cc1 837384079 RWPHSTCJAPFJBI-XXBNENTESA-N 458.587 5.420 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)c1 837547749 UYUVRAFQCHLSNY-AUSIDOKSSA-N 458.587 5.420 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2ccc(-c3cccc(Br)c3)o2)cc1 839416388 ISYOOTZXAMUEGF-UHFFFAOYSA-N 473.327 5.190 30 20 JKED Cc1cc(Br)c(NC(=O)CON=Cc2ccccc2C(F)(F)F)c(Br)c1 852187275 NHMXLIFAFRZAFB-UHFFFAOYSA-N 494.105 5.528 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)C1(c2ccc(Br)cc2)CCCC1 875315613 YPGDDIVICREKNV-UHFFFAOYSA-N 473.392 5.058 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 911551028 GNOCDLCQHUBFBD-UHFFFAOYSA-N 475.339 5.215 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 914601323 NBMKOZOXEGLZOW-DEOSSOPVSA-N 491.588 5.523 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 915087935 YLROKQPJJYOQDX-IRPSRAIASA-N 473.576 5.986 30 20 JKED C[C@H](OC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)C(=O)N(CCC#N)c1ccc(F)cc1 915581803 MBXXFFPGPGLPAZ-INIZCTEOSA-N 492.551 5.320 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 915740634 BPESSYACLHUPEK-QFIPXVFZSA-N 451.979 5.316 30 20 JKED COc1cc(/C=C2/CCn3c2nc2sc(C)c(-c4ccccc4)c2c3=O)ccc1OCC#N 916127296 KXVSIDYVUWKLCN-RGEXLXHISA-N 455.539 5.289 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1OC 916204466 GIKUBHJSSYJHNS-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(F)c(Cl)c1 916205470 ONVRTUKOBFUCIJ-HXUWFJFHSA-N 493.988 5.257 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccccn3)C2=O)cc1 916211967 SLXRBKKBNDMWKE-QFIPXVFZSA-N 492.988 5.098 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)cc1 916214220 LERSRALIQJMRQV-XMMPIXPASA-N 488.613 5.258 30 20 JKED O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 916306373 TZFZVFXLLAPEJQ-UHFFFAOYSA-N 490.269 5.401 30 20 JKED N#CCOc1cccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)c1 916411260 WLLTXZUIINHZTH-UHFFFAOYSA-N 450.519 5.684 30 20 JKED CCc1cccc(CC)c1-n1c(SCC(=O)[C@H](C#N)c2ccccc2)nnc1-c1cccnc1 916622819 MYGREXJHVDJUQF-HSZRJFAPSA-N 467.598 5.423 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 916680628 MLGSWEWKHFCNIQ-QPPBQGQZSA-N 450.369 7.018 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cc12 916905109 MPXGDSKWDHHHCS-JOCHJYFZSA-N 492.560 6.149 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1 916949658 DSGCXRCLYCOLAF-RUZDIDTESA-N 456.542 5.533 30 20 JKED CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042961 IJGZGQHSWNEEMV-FUHWJXTLSA-N 489.519 5.627 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)c2)cc1 917343837 JAGUEPUVVLROFI-LJAQVGFWSA-N 488.543 6.038 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C 917505351 MVSAEDNKAIJCGS-CHHLAKQQSA-N 463.578 5.337 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cs1 917559852 NZLXETPHVNAWIX-VMPITWQZSA-N 485.334 6.372 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1F 917678585 ZCATZUKNKKVQRN-OAQYLSRUSA-N 496.495 5.034 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc([N+](=O)[O-])cc2)cc1 917683481 XNYZOSKGWQQYFE-JOCHJYFZSA-N 474.542 5.064 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 917798131 QMVTVZQWDBZFKA-DHLKQENFSA-N 473.598 5.095 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 918034829 XCRZUCFBEVAIKF-NRFANRHFSA-N 493.394 5.639 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)CCSc2ccccc2Br)c1C 919167508 QNYUCYZUBCVDCL-UHFFFAOYSA-N 475.408 5.038 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cs2)cc1 920138911 LSITWJOJBDSQAC-OAQYLSRUSA-N 475.595 5.760 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc3ccccc23)no1 920352540 OJMLFQNPXISPRO-HSZRJFAPSA-N 488.544 5.436 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N/C[C@@H](O)COc1cccc(Cl)c1Cl 920386725 FFZNEFSZFZRVCB-WQXMTZPFSA-N 497.998 5.083 30 20 JKED COc1ccc(N=Cc2ccccc2O)cc1S(=O)(=O)Nc1cc(C)ccc1Br 920943542 ZYWAXRQHKHHKLV-UHFFFAOYSA-N 475.364 5.023 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2oc3ccccc3c2C)C1)c1ccccc1 1778543296 YOJAHWSDXCFCFL-ZRLKGHKBSA-N 498.623 5.066 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3=Cc4ccccc4NC(=O)C3)CCC2)cc1 1789455797 CYOFFGXTJNYNDN-XMMPIXPASA-N 469.585 5.315 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC=CO4)CCC3)cc2)cc(C(F)(F)F)c1 1790784904 ADFPNPAGVUWULM-OAQYLSRUSA-N 469.463 5.017 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1791244172 OHTCQTIWXOVBAI-PGRDOPGGSA-N 469.626 5.026 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1)c1ccc(O)cc1 1791642786 SOWLKHXKKWCSKF-NRFANRHFSA-N 492.579 5.165 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnnc5ccccc45)CCC3)cc2)c1 1792123615 MPQNMUHGGDMLDW-LJQANCHMSA-N 475.552 5.318 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCSC4)CCC3)cc2)cc1C#N 1792168633 CDXHITQSLSAJRD-HXUWFJFHSA-N 477.630 5.236 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Br)c3ccccc23)cc1 1797983652 IRJNQWBYAAIJNJ-ACDBMABISA-N 488.385 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)[C@H]1c1cccnc1 1802496650 RHVVTPCQVILJKL-RDGATRHJSA-N 472.589 5.049 30 20 JKED CC(C)Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1802958724 SUURWPDWPULEAD-MFMCTBQISA-N 494.639 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccc(Cl)s2)[C@@H]1c1cccnc1 1804281944 OHBVRIBOHPBJNY-AVRDEDQJSA-N 460.043 5.037 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4c(Cl)cccc4Cl)CC3)C2)cc1 1804762505 AAVWVLDVKXCXSF-UHFFFAOYSA-N 484.427 5.343 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc4c3OC(C)(C)C4)CC2)C1 1804858940 ZQWYECTZPMDBTL-UHFFFAOYSA-N 452.639 5.237 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)COc4cccc5ccccc45)C3)CC2)c1 1806668852 NAWZDYFRWIUBFN-HSZRJFAPSA-N 495.623 5.391 30 20 JKED CC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)C1)c1ccccc1 1809014783 WABCQLZGXLEJFH-AREMUKBSSA-N 487.644 5.384 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810503584 QUWUEPOAXBNKGC-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810504842 IBKWSVXBKFOTJC-IFMALSPDSA-N 473.539 5.412 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1)C(F)(F)F 1812683508 PHSSSYBXXFPVNT-JPYJTQIMSA-N 493.485 5.419 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)nc3)[C@H]2c2cccnc2)c1 1813862905 AVDCRUJUQNONRW-MHLNXUHPSA-N 495.627 5.035 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)nc2ccccc12 1814739330 ZBVODEVHYOHUQG-SANMLTNESA-N 492.583 5.077 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815208664 IIUWAKNWGDPZRZ-FHZYATBESA-N 473.017 5.086 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@H](C)CC)[nH]n1 1815653876 KCROIRVAGRQWMV-ZHRMCQFGSA-N 454.640 5.151 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)s1 1815855057 ONJXXIUGTQURAL-GAJHUEQPSA-N 475.618 5.345 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)n[nH]1 1817793562 HASQDLYYKWBMEH-XMMPIXPASA-N 480.572 5.062 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)noc2-c2ccccc2)n[nH]1 1818142240 GQUVESUYUXURCY-NRFANRHFSA-N 475.593 5.671 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)[nH]n1 1819302721 KPRCMQJCHJDCHF-VOIFRGJBSA-N 454.521 5.162 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](CC=C)C(=C)C)n[nH]1 1819308815 DHKRACUPZXRMMN-RZUBCFFCSA-N 499.656 5.030 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1819365300 HEVCYTBIMRDHJS-RPWUZVMVSA-N 490.579 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)[nH]n1 1819555979 NDUIQXXSNZSKTE-JOCHJYFZSA-N 460.582 5.098 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820092290 SGYRESGHAAGUIT-LJQANCHMSA-N 493.514 5.668 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[nH]n2)c1 1820485636 SXQHXFUHUPRPPV-JOCHJYFZSA-N 499.958 5.814 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 1821087487 DTGOAVFJHVPFHN-IBGZPJMESA-N 498.933 5.371 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)S)[nH]n2)cc1Cl 1821338807 AFHHPFDHUQUNLV-SJKOYZFVSA-N 485.437 5.128 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cccc(Br)c3[nH]2)[nH]n1 1821922102 YTQWWCZSEJPCPV-KUHUBIRLSA-N 484.398 5.172 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](C)S)n[nH]2)cc1Cl 1822384994 KWGABMSKRZWEQK-SJCJKPOMSA-N 485.437 5.128 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1)c1ccc(O)cc1 1822466500 GASUUACTIXYUMN-URXFXBBRSA-N 462.594 5.051 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c(C)n1 1822652318 PVDMZUQXCQAKNT-DEOSSOPVSA-N 493.728 5.098 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216814 BRFHPTVDSOWLAK-AOMKIAJQSA-N 491.979 5.318 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)cc2F)CC1 1823930353 IIEXMFGTLQDZRR-IIBYNOLFSA-N 465.407 5.034 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC2CCC2)CC1)c1ccc(O)cc1 1824354911 RHCKAPLXYKVYEP-VPUSJEBWSA-N 464.650 5.089 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1824958891 IPAKPNGJWTVHTM-NRFANRHFSA-N 485.616 5.240 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(C)cc2Br)CC1 1824961165 JKXRJBQQDLCZOD-NRFANRHFSA-N 497.474 5.049 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828134019 SGKOVYLJGQOXDT-FCHUYYIVSA-N 451.636 5.298 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1828828615 NSYHYCFGXPBALW-OFNKIYASSA-N 451.636 5.298 30 20 JKED COc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906449 NDNDBBBGLUJTSE-NRFANRHFSA-N 474.743 5.041 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)ccn1 1829687915 LGCKVIZUZFYNRL-QHCPKHFHSA-N 493.051 5.451 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829952330 KDHKAQKDKXRTKM-MUUNZHRXSA-N 492.623 5.476 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(C)cccc3Cl)CC2)c1 1830596133 UUDYWDFRWYCKFU-XMMPIXPASA-N 480.008 5.076 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c(Cl)cc2F)CC1 1830686181 JSEGPXVVKOGGGV-NRFANRHFSA-N 497.836 5.278 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc(C)c1O 1830723690 MWOJSJBINMQPLH-DEOSSOPVSA-N 480.008 5.081 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CC2)C1 1831236228 YPXCKSCTXBHNKS-DVECYGJZSA-N 476.583 5.481 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1831447457 UQROCMORTWHCNI-IBGZPJMESA-N 476.461 5.289 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831448955 SUUGRYUXACOGKT-FQEVSTJZSA-N 472.498 5.079 30 20 JKED Cc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832633457 CMOMNOVHPBTKED-WXVAWEFUSA-N 457.618 5.098 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)CC1 1832680226 HSFQFWJBJNSYLG-MHZLTWQESA-N 464.650 5.477 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)CC1 1836882663 GJPZNKPPDFBKBU-AREMUKBSSA-N 496.673 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1844203363 NIMKRLZBCYCXQE-JWQCQUIFSA-N 464.556 5.470 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)C1 1844242892 WPKXVFAIALMJDC-REWPJTCUSA-N 481.637 5.109 30 20 JKED CC1(C)OB(c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3ccccc23)OC1(C)C 1857795635 GWUWBTXJLPINIT-UHFFFAOYSA-N 456.394 7.626 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 10240439 WZFGKWGXIHSVQE-CQSZACIVSA-N 491.842 5.517 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1F 11082923 XFLNEWDUXCWLOP-UHFFFAOYSA-O 457.541 6.048 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc3c(c2)CCCC3)cc1 11264711 SREHGKNTXFPLAW-UHFFFAOYSA-O 469.674 6.516 30 20 JKED N#CCCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 11442635 RPNXGIBDXWMWOZ-UHFFFAOYSA-N 452.583 5.387 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccccc1OC 18771346 XSCTUJZFEJRONH-UHFFFAOYSA-N 464.591 5.099 30 20 JKED C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 21657216 YFGLTJLBDFHQOA-MRXNPFEDSA-N 487.423 5.030 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731172 VEYCUWKZVLMCPL-UHFFFAOYSA-O 489.567 5.903 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)NCCc2ccccc2)cc1 22735452 FGEVHEYKQCIPRE-UHFFFAOYSA-O 460.667 5.109 30 20 JKED COc1cccc(NCc2nnc(S[C@H](C#N)Cc3ccc(C)cc3)n2C2CCCCC2)c1 25255959 AYNZUBDXSPJRDR-DEOSSOPVSA-N 461.635 5.939 30 20 JKED C=CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1OC 26044479 OYCPZPNZVPLAOO-UHFFFAOYSA-N 462.571 5.081 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 28781542 WAQDWWWCWCKYRJ-UHFFFAOYSA-O 489.608 6.776 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2cc(Cl)ccc2Cl)=C(\S)NCc2ccccc2)cc1 33392724 LKAKZCXOVMXBBR-UHFFFAOYSA-O 472.461 6.307 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1OC 36802362 DJLGGDOVLGCQMY-ZDUSSCGKSA-N 463.390 5.566 30 20 JKED CCc1c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)oc2ccc(C)cc12 58304175 PQQYSEVNAMECRY-VQHVLOKHSA-N 466.509 6.619 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 78669075 OVBTZWQJQGUASK-UHFFFAOYSA-N 470.348 5.552 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 107646761 BSSCBLQUZUILPE-IBGZPJMESA-N 474.973 6.328 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 108307749 CZMBEIUDTCJJNK-RZNTYIFUSA-N 471.944 5.801 30 20 JKED N#Cc1cccc(COc2cccc(NCc3nc(-c4ccc(C(F)(F)F)cc4)no3)c2)c1 108348858 VAYSZMZVIHFZDA-UHFFFAOYSA-N 450.420 5.818 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2cc(Cl)ccc2s1 195664278 MOLFWARJOAUCGR-DZGCQCFKSA-N 492.815 5.985 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(COc2ccccc2F)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 250688769 IEVKIYCHBZONOX-WBXKDMMESA-N 499.656 5.140 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c1 303111015 GBENDHUAMIAKLN-UHFFFAOYSA-N 457.530 5.179 30 20 JKED COc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1 303373598 KRAUNNFDZRDDGR-LJQANCHMSA-N 471.340 5.584 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 409658882 ZSYJWIQLPGAQMU-UHFFFAOYSA-N 451.404 5.202 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(SC)cc1 480249498 IVYBTWQMRMQJGB-DEOSSOPVSA-N 475.570 5.807 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(NC(C)=O)c2)c1 484286009 AIYVUMULNWQUFR-UHFFFAOYSA-N 498.004 5.240 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3nccnc3c2)nnc1-c1ccc(Cl)cc1Cl 486447939 SONIDAKPFCJSHQ-UHFFFAOYSA-N 471.373 5.112 30 20 JKED N#CCN(C(=O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)N(CC#N)c1ccccc1)(C3)C2)c1ccccc1 495530762 OUMZCYCAPUDFGM-RJAVSUSUSA-N 466.585 5.077 30 20 JKED COc1ccc([C@H](C)NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1F 497078966 HXTVEBJMNMLAOZ-NSHDSACASA-N 469.353 5.208 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(OC3CCCCC3)CC2)c1 497468061 QWBRGGAXGVSZTD-UHFFFAOYSA-N 477.630 5.243 30 20 JKED C=CCN(C(=O)c1ccc(N(C)CC(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 499287554 LOEOUXDYOFSOBK-UHFFFAOYSA-N 483.659 5.139 30 20 JKED N#C[C@H](C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)c1nc2ccccc2n1C(F)F 501312248 PMARVRCQWYKACA-OAHLLOKOSA-N 497.303 5.142 30 20 JKED CN(CCc1ccc(F)cc1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503309191 ABYKOBIYTHSPJE-UHFFFAOYSA-N 494.798 5.412 30 20 JKED C[C@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 503945725 METLCVVIWJDPFB-SFHVURJKSA-N 482.565 6.103 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 505168838 CIPXYOCYYAOSOZ-UHFFFAOYSA-N 456.977 5.613 30 20 JKED CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)[C@H](C)c1ccc(C#N)cc1 509615976 HBUNULNIZAYBER-QGZVFWFLSA-N 467.978 5.236 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 509862207 GKNSBVLGZDGZOP-UHFFFAOYSA-N 478.474 6.049 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccc(-c2ccc(F)cc2)s1)C(C)C 510216487 YXTPNESAWLFDSW-UHFFFAOYSA-N 475.593 5.455 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)nnc1-c1ccc(F)cc1 510360445 GHCRBEDKZDQKOK-UHFFFAOYSA-N 495.605 5.442 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 510995769 KHLWGHRWBZWIPV-UHFFFAOYSA-N 461.447 5.011 30 20 JKED N#Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)sc2c1-c1ccccc1CC2 511072190 CKURHOCOWLKSOC-UHFFFAOYSA-N 479.517 5.027 30 20 JKED COc1nn(C)c2nc(C)c(CCC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)c(C)c12 512304104 YBOSKYZQIMEHLU-UHFFFAOYSA-N 485.563 5.079 30 20 JKED N#C[C@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc2ccccc2n1C(F)F 515540083 HTLMRGNVVSSTAY-CYBMUJFWSA-N 470.888 5.889 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)c2)cc1 515577394 WCPGWRUYTHLDDU-UHFFFAOYSA-N 489.984 5.568 30 20 JKED CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)Nc1ccccc1 517149659 ZCUCJCMTVYJBTN-ZCYQVOJMSA-N 474.992 5.187 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 518260336 XZHMWWKFMZEOQZ-GOSISDBHSA-N 457.043 5.768 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 518672945 GOOKWCUJSVYFSX-GOSISDBHSA-N 453.583 5.034 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 519427622 QFRJQLIXCCIYEF-QGZVFWFLSA-N 462.575 5.332 30 20 JKED Cc1cc(COc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2Br)on1 519485069 BRARKNZTBKMJIR-KRWDZBQOSA-N 495.160 5.626 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1OCC 520221625 LGLZEXREULARAB-IFMALSPDSA-N 464.375 5.562 30 20 JKED C=CCN(C(=O)c1cnn(-c2ccccc2Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 520319200 DVOKWEXJYMZAFX-UHFFFAOYSA-N 465.922 5.390 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C 520450928 IYVRHFFWKKYGRK-UHFFFAOYSA-N 489.579 5.978 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)c1C 520815040 UABXZXFHPZEKIE-CQSZACIVSA-N 469.661 5.881 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 520828594 LJIHDQWVOILRIG-LJQANCHMSA-N 457.599 5.582 30 20 JKED N#C[C@H](C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1nc(-c2c(F)cccc2F)cs1 521259570 RHLNRROLCUVQOG-CQSZACIVSA-N 464.472 5.392 30 20 JKED Cc1ccc(C[C@H]2CCCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 575893435 YXCZWWZXVZFRMD-RUZDIDTESA-N 453.586 6.127 30 20 JKED C=CCn1c(SCc2csc(C(=O)OCC)n2)nc2sc(-c3ccccc3)cc2c1=O 603722698 QBMSFDKDXLYZST-UHFFFAOYSA-N 469.613 5.237 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nnn1-c1cccc([N+](=O)[O-])c1 603838623 BDLKPKWUIINUHH-INIZCTEOSA-N 499.339 5.404 30 20 JKED Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N(CCC#N)C(C)C)n1C1CCCCC1 603895211 YRFFQHYHQXRVEU-UHFFFAOYSA-N 490.073 5.567 30 20 JKED CCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1C 604187133 IWVVESCLIAZOGJ-UHFFFAOYSA-N 465.600 5.173 30 20 JKED Cc1cccc(C)c1OC[C@@H](O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604428808 AZDXCBNKYJJISU-GMAHTHKFSA-N 463.965 5.174 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccc(C(F)(F)F)c1 608865581 PVFVSEDAUCWIOJ-XMMPIXPASA-N 495.501 5.752 30 20 JKED N#Cc1ccc(N2CCC(NCc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)CC2)nc1 608983080 CHPPBDHIJJPSED-UHFFFAOYSA-N 463.925 5.066 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccs3)cc2Cl)c1 609062622 DLRISCIBBRRTPC-OAQYLSRUSA-N 479.989 5.486 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)cc2F)c1 609104626 LZTAALBKOCKUNO-UHFFFAOYSA-N 478.545 5.245 30 20 JKED N#Cc1ccc(SCC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 609125996 JYYNSEPOYSMLBK-UHFFFAOYSA-N 464.387 5.171 30 20 JKED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 609156257 XERIPNWVRZURHN-HXUWFJFHSA-N 494.414 5.093 30 20 JKED CN(C(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1)c1ccccc1 609174909 YPCCOVHUXPQGAM-NDEPHWFRSA-N 475.548 5.537 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 609378512 MHEBUHYGSXVSOI-UHFFFAOYSA-N 469.488 6.216 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)N2CCCCC2)cc1 609438524 JCKBEIVERKZMOS-CVDCTZTESA-N 452.624 5.438 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c1 618608684 HJECJLAAMQWGCK-QHCPKHFHSA-N 474.520 5.595 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)c1 620973723 WCFDYZFNRKZIKG-XMMPIXPASA-N 497.016 5.404 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 621799391 SAQCFYGCKIWYNO-GJZGRUSLSA-N 494.407 6.008 30 20 JKED O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517899 QVNXIGCUGLFYRV-OAHLLOKOSA-N 489.338 5.087 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2cccc(CO)c2)N=C1C 725763723 KYHDXEZEIQXBPP-UHFFFAOYSA-O 498.628 5.451 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 726397238 HHLYJJBSZMCCOR-HRAATJIYSA-N 474.026 5.342 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCOC(C)(C)C)C2=O)c1 726421159 LITMMHVRHBOUEI-FRTKLUBASA-N 487.691 5.570 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1CC(F)(F)F)c1cccs1 726421323 MGYFSHOJWKDJDG-POOWZPKTSA-N 491.560 5.853 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CC(F)(F)F)C1=O 726423360 ZATOHJFWDGDRFN-OJMJRNKJSA-N 499.580 5.489 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)N[C@H](C)c2cccs2)[n+]2ccc(C(C)(C)C)cc2)N=C1C 726577745 AKICBQBTRRJSTI-MRXNPFEDSA-O 482.695 5.889 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=S)Nc2ccccc2C(C)C)cs1 727062700 ZGTPCZQRQPQNKJ-UHFFFAOYSA-N 455.584 5.411 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc2c(c1)CCC2 728424452 BJSRBNIWYHFAAX-BVZFJXPGSA-N 495.608 5.163 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCCCC#N)C1=O 728776503 CHZRZBXKQGOTBF-HXUWFJFHSA-N 488.972 5.142 30 20 JKED CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 729036614 XTHYTTVRTCCHJG-QLYXXIJNSA-N 497.448 5.249 30 20 JKED COc1ccc(NC(=O)[C@@H](OC(=O)c2cc3ccccc3n2CC#N)c2ccccc2)cc1Cl 729769521 SAQJYDSCABFVKB-DEOSSOPVSA-N 473.916 5.364 30 20 JKED O=C(O)COc1ccc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cc1 730436487 QBLHYFIVZSYZPE-SDNWHVSQSA-N 470.344 5.249 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCC2)C1=O 730459009 DULGBVOPCICBKD-IBGZPJMESA-N 461.946 5.001 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc([C@H](C)CC)cc1)O[C@@H](C)C2 730685703 BIIDYEHCZJETQZ-PQDVQMMASA-N 460.574 5.373 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)c(C)c1 730713366 SEOAXIUAWRHVRS-NRFANRHFSA-N 482.993 5.414 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)nc1Cl 730997416 VFMQKIZPMLGPTF-UHFFFAOYSA-N 456.298 5.214 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nc1C 731225068 PGSIWWHBHVTPNO-UHFFFAOYSA-N 492.561 5.240 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnc(-c2ccccc2Cl)s1 748003715 HXOICUKPVPXJSQ-GOSISDBHSA-N 473.941 6.217 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 749134895 DQTHNGAFNKOAQJ-FLIBITNWSA-N 485.397 5.055 30 20 JKED N#C[C@@H](Cc1ccccc1)OC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 750063997 OOIGHJXMNZVXSZ-LJQANCHMSA-N 475.353 5.086 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 751143611 ZEGJUQNANRNPOP-UHFFFAOYSA-N 473.529 5.887 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(COc2ccc3ccccc3c2)o1 768708451 YEUSPIGFCCRQRX-UHFFFAOYSA-N 460.873 5.332 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(CC(F)(F)F)C2=O)cc1 799214815 FNWCKCIBLTZVRR-LJQANCHMSA-N 479.524 5.225 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccccc2F)cc1 838042766 YQUUSEWENJFBCK-HSZRJFAPSA-N 493.560 5.003 30 20 JKED C=CCOc1ccccc1[C@@H]1NC(=S)N(C)C(C)=C1C(=O)Nc1ccccc1C(F)(F)F 839945264 DSXLQFWOUSDFPH-FQEVSTJZSA-N 461.509 5.044 30 20 JKED COc1cc(/C=C\C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)ccc1OCc1c(C)noc1C 877703701 QDHVJVOSJIRDFF-XFFZJAGNSA-N 486.553 5.526 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCC3)c1 877887800 UWZSPZNOMSIHIV-UHFFFAOYSA-N 486.018 5.229 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(C)c2)cc1 912771804 OMGYEBPWNPSKGF-XMMPIXPASA-N 489.597 5.173 30 20 JKED Cc1cc(S[C@@H](C)C(=O)OCc2nc(C)c3ccccc3n2)n2c(nc3ccccc32)c1C#N 913258501 WRBQUNRBFLHFDJ-KRWDZBQOSA-N 467.554 5.143 30 20 JKED C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[S@](=O)Cc1c(F)c(F)c(F)c(F)c1F 914520647 HOJSWZMEDVZYKG-DICVDRLXSA-N 479.776 5.330 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H](C)Cc3ccco3)C2=O)c([N+](=O)[O-])c1 914692115 VFHYAUWHXRDYQL-HTAPYJJXSA-N 492.557 5.088 30 20 JKED C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1)c1ccccc1 915087077 PZSUYRCHSVLYJU-LYZGTLIUSA-N 495.604 5.634 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)c1 916207897 OGKULUFZVRMYEK-XMMPIXPASA-N 472.614 5.210 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C[C@H]2CCCO2)c1 916208131 UMBUHLKXDFUJFW-YLJYHZDGSA-N 491.535 5.153 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O)Nc1ccccc1F 916209875 TZRHYEOAAIAUJB-LJQANCHMSA-N 457.914 5.233 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O)Nc1cccc([N+](=O)[O-])c1 916211693 FNCYRWKANPPZEK-IBGZPJMESA-N 484.921 5.002 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 916546397 OWJULRXCAOGJMV-UHFFFAOYSA-N 499.423 6.347 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 916546884 CWKDVLVIVAZXPD-UHFFFAOYSA-N 477.542 5.334 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 916653042 HTIYZMCHLMPYGU-AWEZNQCLSA-N 476.385 5.618 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC(C)C 916719753 DDSGRRBCVZLVHZ-UHFFFAOYSA-N 459.546 5.449 30 20 JKED N#C[C@@H](C(=O)CCCOc1cccc2ccccc12)c1nc(O)c2c3c(sc2n1)CCCC3 916846650 BAZPAGHDJSDEMF-IBGZPJMESA-N 457.555 5.464 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)cc1 916911998 FHJQTIQKEKBPAH-OAQYLSRUSA-N 491.389 5.037 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 916915286 BKTQMWNPLXQLFL-FQEVSTJZSA-N 481.512 5.249 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916924252 AOSVEIUWUWESEP-FQEVSTJZSA-N 455.489 5.189 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1OC 916933765 STQVVXYGPPFAPP-CQSZACIVSA-N 463.540 5.003 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)cc1Cl 916937021 CSJJGBKPCNMWAQ-CNRGFGOASA-N 454.910 5.577 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2[C@H](C)c2ccccc2)cc1 917254010 DHMPIVUYMHOMBV-PKTZIBPZSA-N 495.652 6.290 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(Oc3ccc(OC)cc3)CC2)c1=S 917476185 IECNBOSMYSRXTH-UHFFFAOYSA-N 450.608 5.085 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 917702571 UQHUWVPZIFTKMI-DEOSSOPVSA-N 486.597 5.098 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3C)C2=O)c1 917707193 PXZKEEZTCZFARN-XMMPIXPASA-N 484.581 5.036 30 20 JKED COc1ccccc1NC(=O)Nc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)ccc1OC 919854336 KXOYXNQVECBTII-UHFFFAOYSA-N 485.500 5.164 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 920143272 VDOYKSLXSFNZDW-IBGZPJMESA-N 481.503 5.188 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3c(C)noc3C)C2=O)c1 920354864 IAYSYGWFIAHFHG-QFIPXVFZSA-N 480.565 5.208 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 920868676 LEPFYALHWKPFOB-UGSOOPFHSA-N 498.407 5.375 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 920893028 SLMNWINBALBWAS-SFHVURJKSA-N 494.979 5.235 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1sc(-c2ccc(Cl)s2)nc1C 921105563 PWKMWSGSMNOPRJ-CQSZACIVSA-N 490.006 5.334 30 20 JKED CO[C@H](C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1)c1ccccc1 1785796527 JNMAGOBBTQIIGA-MHZLTWQESA-N 467.569 5.013 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CCC3)cc2)C1 1785809120 SAVQXGVDGAOBLK-QHCPKHFHSA-N 483.653 5.368 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786058326 HNCBQTOKXPLEML-ZLNRFVROSA-N 481.637 5.026 30 20 JKED Cc1cc(C)n2ccc(C(=O)NC3(c4ccc(NC(=O)/C=C/C(=O)c5cccs5)cc4)CCC3)c2n1 1788649894 GUHDYVLSVFGPAU-ZHACJKMWSA-N 498.608 5.199 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788737862 DSOGABTZIQRCTH-UHFFFAOYSA-N 483.568 5.006 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1789455599 YAMYOZJFWALSRP-XMMPIXPASA-N 495.664 5.536 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CS[C@H]4CCCCO4)cc3)CCC2)c(Cl)c1 1789552448 XCTMQLRDAGATQA-QHCPKHFHSA-N 484.021 5.219 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)n4ccccc34)cc2)CCC1 1789990402 HYFQIGDCXNGVPS-LJQANCHMSA-N 469.610 5.672 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5ncccc45)CCC3)cc2)c(Cl)c1 1790767236 PYISAWUWBHIAOF-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4ccsc4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682033 IYXZNGQJFUGEMG-NRFANRHFSA-N 481.618 5.061 30 20 JKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1)c1ccccn1 1791944246 MSKWXCLXHSHROR-PMACEKPBSA-N 452.558 5.260 30 20 JKED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@H](C)C#N)c2)C3)[nH]c2c(Cl)cccc12 1796704193 QYSKCHDZBJZFIM-HUJKARHJSA-N 474.992 5.322 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)c3ccccc3c1)C2 1798334038 TUVKJGQUKWKKSR-LRSLUSHPSA-N 481.434 5.623 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccoc1C(F)(F)F 1800399519 DQROURCGNPHVDG-QDMKHBRRSA-N 478.364 5.022 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3sccc3s1)C2)c1ccc(O)cc1 1802416024 ULWLUWJXTXLBAK-HAGHYFMRSA-N 478.639 5.117 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1802501325 LHMKRZQSNQKNQN-ZJSXRUAMSA-N 480.052 5.465 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)C1 1805457643 KNNWRJJDGYZTPW-UHFFFAOYSA-N 457.618 5.362 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)c(F)c(OCC)c3F)CC2)C1 1805457661 LLDONKANCKVZFG-UHFFFAOYSA-N 478.555 5.116 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)[C@@H]1c1cccnc1 1810492216 JWTULGCVHOJHNL-ZEQKJWHPSA-N 465.613 5.160 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)ccc2[nH]1 1811420636 PURRHKIRFYMDPR-LVXARBLLSA-N 497.986 5.030 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)[C@H]2c2cccnc2)c1Cl 1811421400 ZHJKMPCMQJGBSU-MBSDFSHPSA-N 497.357 5.033 30 20 JKED N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/C3CCCC3)[C@@H]2c2cccnc2)cc(C(F)(F)F)c1 1811872354 CSKHKEMSCUDQQC-RXMIYNDUSA-N 496.533 5.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1812499188 PRPKRYIEPCFTOF-URXFXBBRSA-N 480.052 5.465 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812804576 PKZARQMAGOYSHW-BVAGGSTKSA-N 457.659 5.067 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)CC1 1812905159 NGTFQVUDWLWGCA-JPFMNBDBSA-N 472.633 5.245 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1813045004 DDJMTSHWHAIMCE-VCCQQEBNSA-N 492.063 5.518 30 20 JKED Cc1cc(F)c(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1F 1813854230 DMXQRKOYHDVROG-LVXARBLLSA-N 497.662 5.039 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@@H]1c1cccnc1 1813957657 MQZJOSPKMNREGP-IMSXRSKXSA-N 485.550 5.497 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1813975898 HKVSBUFCMZYYRL-HZUJVAHNSA-N 479.930 5.286 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)[nH]n2)C1 1814396518 JSWBTZXNGFFDEX-AUSIDOKSSA-N 492.023 5.623 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1815659592 WGELECUDRJMBKI-KRWDZBQOSA-N 471.385 5.081 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccsc2)n[nH]1)c1ccc(O)cc1 1815985150 VGUHKBNGIGCEOF-VXSCLSAESA-N 488.613 5.080 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3Cl)n[nH]2)cc1 1817003414 AOSZQYBEHJWMOL-HSZRJFAPSA-N 475.980 5.068 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3[nH]ccc3s2)[nH]n1 1819385493 WNJOPUWPDVOUJE-LJQANCHMSA-N 481.698 5.310 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)CC2 1819503240 RZVFVTZWFJRYJZ-RVKKMQEKSA-N 496.683 5.238 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)[nH]n2)c1Cl 1820221156 OXCUWRXYFBSXPA-GOSISDBHSA-N 478.965 5.097 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)[nH]n2)cc1 1821183277 ULZDAZRAEBBTHO-NRFANRHFSA-N 499.468 5.253 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821277089 FRNOUPNXUSOKCY-NRFANRHFSA-N 465.916 5.002 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c(Cl)c1 1821278152 NJNFOZINTASMJJ-NMXNWIABSA-N 499.958 5.700 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)[nH]n2)c1 1821324903 HRRXZZIHHMGLFI-SANMLTNESA-N 490.567 5.272 30 20 JKED COc1cc(C)c(C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1821341699 QIESTCGEMUGLTR-OAQYLSRUSA-N 491.979 5.180 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(F)c1F 1823195495 NLBCUIRVFRXGJP-KKSFZXQISA-N 477.515 5.243 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823212518 VEIOTOJZMDMENR-YDIMBITNSA-N 487.629 5.523 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)CC1 1823668998 QYWOFQQUNFCAIZ-NRFANRHFSA-N 464.437 5.390 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2OC(F)(F)F)CC1 1823913974 DANMSHUJEUEMLP-OAQYLSRUSA-N 464.528 5.012 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(OC)cc2)CC1 1824048065 WUTIAPAQGWCKOS-RMUDUWAUSA-N 452.639 5.187 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1824144798 GZZSFOBWIIUYBU-LJAQVGFWSA-N 499.655 5.563 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C)c2)CC1 1824499840 PUJCSMCJANIWHL-MHZLTWQESA-N 489.660 5.273 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1824508575 WPXXOJIZFQRJIE-RDPSFJRHSA-N 489.616 5.252 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824989626 ZRNHVBCEDOVWHT-HYBUGGRVSA-N 461.046 5.331 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)s1 1825164356 JRUWBGPSONTMMO-RXFWQSSRSA-N 477.674 5.550 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)c2O1 1827521064 MCYBHXHLUICNGI-AREMUKBSSA-N 485.628 5.013 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1 1828826996 QGJLKIMAINAEMP-CTNGQTDRSA-N 463.544 5.102 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)C)no2)CC1)c1ccccc1 1829031599 BGRKYDMUDJTIBQ-AZGAKELHSA-N 475.633 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc3c2CCCO3)CC1 1829067134 CRZLRESKTRKRQR-QFIPXVFZSA-N 458.668 5.299 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3N=C(C)CC3=O)cc2)CC1 1829068602 HDKABNHDLWHZGT-RUZDIDTESA-N 492.664 5.025 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3C(C)(C)C)CC2)c1 1830768340 PTOJIOBBSOYNKB-VWLOTQADSA-N 472.633 5.106 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3[nH]nc(C(F)(F)F)c3c2)CC1 1831031672 JYJCMSIXMMKFNC-IERDGZPVSA-N 476.543 5.027 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1832034060 GWTCYMZJSUJWAI-SANMLTNESA-N 465.613 5.053 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832627228 ADEOTPBDWNDLDZ-IQGLISFBSA-N 481.999 5.653 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1Cl 1832635531 IIOAEOWCPLFOLN-UQBPGWFLSA-N 494.035 5.523 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)CCC1 1832787909 HNVXAOJHXWKZQK-QFIPXVFZSA-N 476.448 5.240 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@H](C)CC)CC2)CC1 1837685867 WELDXCQVZOTKDA-UFPGJGBJSA-N 454.655 5.027 30 20 JKED Cc1cccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1C 10168115 GDXMCMHKVQPFOO-UHFFFAOYSA-O 457.663 6.644 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1ccc(Br)cc1 10179005 CHBCCILYRBJFPE-UHFFFAOYSA-O 497.221 5.800 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2Br)nnc1-c1ccc(Cl)cc1 10240152 REJMFGFCEGQHJG-CQSZACIVSA-N 491.842 5.517 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc3c(c2)CCCC3)c(C)s1 10827643 UKIVSHSWZURMIN-UHFFFAOYSA-O 456.056 6.236 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 22733148 VUHUCMWUXSEMML-UHFFFAOYSA-O 464.463 6.654 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nc2sc3c(c2c1=O)CCC3 23405313 FDMTUCVTZREWRY-ZDUSSCGKSA-N 460.024 5.214 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c(C#N)c(C)c1C 24367416 LMYWXZZGRMLBNA-UHFFFAOYSA-N 488.491 5.473 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccccc2)c1C 28695786 QUJXPGIIHDHHRG-UHFFFAOYSA-O 472.590 5.300 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccco1 29548501 YMAGJDLEDSHHMH-SFHVURJKSA-N 460.559 5.422 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 107806518 LWKKVYBAYVWTMC-UHFFFAOYSA-N 478.487 5.422 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc(OC)c1OC 109084817 PTTZNSMRIAPANM-UHFFFAOYSA-N 480.586 5.102 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 116681831 PNBJGENBFUILGK-NRFANRHFSA-N 498.505 5.795 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 302948632 CVZHZNRWBSNYAB-UHFFFAOYSA-N 460.515 5.105 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 302956873 LJNFVKVCEKYGKT-UHFFFAOYSA-N 467.550 5.898 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCC(=O)N(Cc4ccccc4)[C@@H]3c3ccccc3)CC2)c1 303187435 DYNHBJMUWBVZJZ-MFMCTBQISA-N 493.607 5.108 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 303269059 GVIKDLXVXQBGMJ-MRXNPFEDSA-N 460.584 5.872 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSCc1cc(-c2cccs2)on1 488802619 HDAGYSARXMONBL-UHFFFAOYSA-N 477.586 6.189 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)oc3ccccc23)s1 499750540 PBCWWZHGMLDDFW-UHFFFAOYSA-N 498.589 6.801 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1)c1ccccc1 502035120 QOZYLQPKXRIGMI-MUUNZHRXSA-N 481.596 5.052 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc2cc(Cl)ccc2s1 502691012 YJHHWRMAVJCISF-IBGZPJMESA-N 480.014 6.463 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(-c4ccco4)s3)s2)c(C(F)(F)F)c1 504293479 PRLLOHYCDYINLY-UHFFFAOYSA-N 460.462 5.593 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 508257223 GTDAAYSNFYWDAX-UHFFFAOYSA-N 472.932 6.084 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 510024401 SAFXIDOMNGLRLP-VWNXMTODSA-N 475.976 6.382 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cccc(OCc2ccccn2)c1 511364983 PVSDLVLLPIBJRM-QFIPXVFZSA-N 492.579 6.188 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 511529156 AZTNIFLVZZUICE-XMMPIXPASA-N 470.529 5.197 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1NC(=O)c1ccccc1 513655894 VUJLWYIOWJABQV-LJQANCHMSA-N 482.565 5.327 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c12 515674462 BPZSLZRYLFUBDI-UHFFFAOYSA-N 473.492 5.575 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 515805202 SXUQFQPYOGRWIQ-IBGZPJMESA-N 463.528 5.605 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 515827633 DHYSAANBVCGXOA-IBGZPJMESA-N 450.498 5.841 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCCCC[C@@H]3c3ccncc3)cc2Cl)cc1 516431230 PHIFRHQTEHSLNF-HSZRJFAPSA-N 474.948 5.481 30 20 JKED CSCC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nnc2ccccn12 518753093 GXWGWKNUEWPFSV-NRFANRHFSA-N 458.547 5.009 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H]1CCSc2ccc(F)cc21 519440461 IFNBJVIKAREGFK-HNNXBMFYSA-N 483.512 5.142 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 520103700 FQWCCQDOTCZJJP-UHFFFAOYSA-N 461.631 5.152 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1 520394824 OZZQXIZZIVWJKG-UHFFFAOYSA-N 488.506 6.520 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 521739584 HPUVEAXIATXIDL-OXJNMPFZSA-N 475.536 5.649 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCSCc2ccccc2C#N)cc1 523534985 DKDSHJNVVDYCNK-UHFFFAOYSA-N 458.562 5.214 30 20 JKED C=CCN(C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 524168201 KUJFXORPDSGPBV-ROUUACIJSA-N 460.665 5.585 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3csc4ccccc34)cc2Cl)c1 524424865 OJAYNMBVZOVOBG-UHFFFAOYSA-N 475.957 5.260 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3cccs3)n2Cc2ccccc2)sc2c1CCC2 589889657 FRVHYFBJCBKSCE-UHFFFAOYSA-N 491.667 5.598 30 20 JKED C=CCN(C(=O)CSc1nc(=O)ccn1C1CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 591772031 ZSNITPBFERXLAX-UHFFFAOYSA-N 493.441 5.320 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 603533347 VIIRGWCJTKPXPK-UHFFFAOYSA-N 463.946 5.616 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 603805805 IEZMLKBONSRHQS-ICSRJNTNSA-N 453.951 5.483 30 20 JKED Cc1ccccc1CN1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 603831517 ACMYVOMITFRXFG-UHFFFAOYSA-N 468.601 5.380 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccccc1-c1ccccc1C#N 603976564 GPBMOTXUKADEIE-BGYRXZFFSA-N 451.570 5.904 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)c1 604288600 GPXXDMZEQMMQBU-RTBURBONSA-N 498.423 5.468 30 20 JKED N#Cc1ccc(C(=O)NCC(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)cc1 608888261 FKGNKLPNHIIIQN-OAQYLSRUSA-N 491.378 5.024 30 20 JKED N#Cc1ccc(N2CCC(NCc3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)CC2)nc1 608983203 PQMRLLFAWFIDKJ-UHFFFAOYSA-N 474.568 5.311 30 20 JKED Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 609027702 DMCHCLIIOZCOQG-OAQYLSRUSA-N 461.587 5.615 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(C)c1I 609061863 ZTUFWGSXWYKSEG-UHFFFAOYSA-N 482.321 5.611 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)COc3ccccc3OCC(F)(F)F)cc2)c1 609064757 NNQFEGWWBFJVGI-UHFFFAOYSA-N 456.420 5.096 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 609377424 FJUDDPYIZNFVCB-UOGRCSNTSA-N 483.584 5.629 30 20 JKED CCCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609403793 CJCJZPDWQKCURF-UHFFFAOYSA-N 467.488 5.228 30 20 JKED Cc1cc(C)n(-c2ccc(NC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)n1 613100824 UHQHHPJOPNITGJ-CHWSQXEVSA-N 466.401 5.659 30 20 JKED N#C[C@@H](C(=O)c1occc1CS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 642282014 CKAIGYCFTGGMJJ-INIZCTEOSA-N 490.484 5.372 30 20 JKED N#CCOc1ccccc1C(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 726153990 ZLSUENUYYIHLRW-UHFFFAOYSA-N 457.477 5.785 30 20 JKED CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 726277663 CYORWACANMTLGP-KDYSTLNUSA-N 485.607 5.506 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 726391886 CQIKCYRQBXGVIP-MGPUTAFESA-N 494.444 5.056 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 726402593 WUKYXZQZMCACNX-YWZLYKJASA-N 459.999 5.034 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3cscn3)C2=O)c1 726421718 OZNFZIUSLIUBKV-PICPZKJQSA-N 484.672 5.411 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N\[C@H](C)c2cccs2)o1 726421933 SZZPPBHJMHXMJY-OXCJDURQSA-N 485.606 5.421 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S/C1=N/[C@@H](C)c1cccs1 726422239 UTKHOFGXYMTEQE-FSBAEXNWSA-N 480.999 5.110 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)OCO3)cc1 726571469 VJVLWDQUGKYAQX-UHFFFAOYSA-O 493.008 5.849 30 20 JKED Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 728187899 BZAVFTIVGKCYNC-UHFFFAOYSA-N 472.888 5.805 30 20 JKED N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 729245575 VKUVTDSZHBVROZ-SDNWHVSQSA-N 483.999 5.697 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/CCc1ccccn1 729630787 ABFKXYYWIAPCCN-ZKZPFDSASA-N 466.651 5.006 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc3cc(Br)ccc3c2Cl)cc1 729838853 WANFCRZLPVDUFG-UHFFFAOYSA-N 464.772 5.877 30 20 JKED CCN(CC)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NC2CCN(CC#N)CC2)cc1 730504750 YJRRLGBXMJJHQW-XTQSDGFTSA-N 493.655 5.286 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CC1 730525448 BVYSALOIJAASPX-IBGZPJMESA-N 461.509 5.391 30 20 JKED CC(=O)c1c(C)[nH]c(-c2csc(=Nc3ccc(C#N)c(Cl)c3)n2Cc2cocn2)c1C 730707605 HMUNEPODBXUDLR-UHFFFAOYSA-N 451.939 5.158 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N([C@@H](C)c2cccnc2)C1=O 730944189 SHKLGQRPAGXQFK-CYFREDJKSA-N 488.613 5.429 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 731062537 DJNDWBXAMNGEJM-MRXNPFEDSA-N 479.583 5.190 30 20 JKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731072380 GRCWQGVLCHQGFY-KGLIPLIRSA-N 467.374 5.337 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731307820 VPKQSVJYVKNBCX-VFNWGFHPSA-N 483.977 5.230 30 20 JKED CC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4C#N)c3)SC2=S)cc1 731372577 YVOUFUQHXOBXDD-ZVHZXABRSA-N 470.575 5.746 30 20 JKED Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 745626322 MONNFEPBNVHBHT-KHPPLWFESA-N 466.335 5.104 30 20 JKED COc1ccc(-c2nc(C=Nn3c(S)nnc3-c3cc(Cl)ccc3Cl)cs2)cc1 767114170 JOVUDXNUSNKREA-UHFFFAOYSA-N 462.387 5.555 30 20 JKED Cc1cc(-c2cc(C(=O)O[C@H]3CCN(c4ccc(C#N)cc4)C3=O)c3cnn(C(C)C)c3n2)c(C)s1 836626903 HUQDZLRXPIFUGJ-DEOSSOPVSA-N 499.596 5.192 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2cc(Br)cs2)no1 904394759 SQICAZMITHQSTD-UHFFFAOYSA-N 485.157 5.172 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 914548477 IVGOAODOWXCRRS-QHCPKHFHSA-N 495.551 5.272 30 20 JKED C=CCn1c(S)nc2cc(C(=O)N[C@H](C)c3ccc(NC(=O)Nc4ccccc4)cc3)ccc2c1=O 915658268 WQSQMUQLJLLESP-QGZVFWFLSA-N 499.596 5.006 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 915860056 FYEYWANTWYHBBH-DEOSSOPVSA-N 470.529 5.184 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 916206812 VXHCSRREVGJQRE-HXUWFJFHSA-N 495.979 5.314 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O 916211689 OJFWEJMEUHGFKZ-QFIPXVFZSA-N 495.004 5.213 30 20 JKED COc1ccc(Br)c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 916679285 MTTCPTIRKAQNMZ-OAQYLSRUSA-N 450.336 5.435 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1Cl 916940422 MHEHYQHNSBPYSQ-OAHLLOKOSA-N 493.894 5.761 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H]2c2ccc(Br)cc2)c1=S 917486193 FHVBHHIJLUFZFA-OAQYLSRUSA-N 490.515 5.186 30 20 JKED COc1ccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(Cl)cc4)n3)ccc2c1 917561323 ASUSXFQSQGNYGS-WQLSENKSSA-N 462.958 6.539 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)c1 917666882 PWRCGUMSFWUWKJ-HXUWFJFHSA-N 469.563 5.056 30 20 JKED CC(C)(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)CC1 917673914 IUZDKEPRVROPIY-QFIPXVFZSA-N 482.625 5.049 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccc(F)cc2)n1 917678326 SFVSXSAGDBHCGO-NRFANRHFSA-N 497.983 5.046 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N([C@H]2CCN3CCC[C@H]3C2)C1=O)Nc1ccccc1 917701588 UVCNCEZLBTZWBB-GSDHBNRESA-N 498.652 5.427 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 918037005 IGSVBJVQTNQFBG-QGZVFWFLSA-N 451.419 6.201 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920021600 MHALTRHMFZDWFJ-OAHLLOKOSA-N 455.967 5.171 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2ccc(N3CCCCC3)cc2)cc1C 920854148 JUVZVALBLKSXGZ-UHFFFAOYSA-N 455.606 5.043 30 20 JKED O=C1/C(=C\c2ccc(O)c(Cl)c2)CC2(C/C1=C\c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc12 921270012 QUSYPXCSPDSEKX-BUOZRGFLSA-N 492.358 6.125 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2Oc2ccccc2)C1 1780300394 KYIYRUCXBVVPOI-PDDLMNHVSA-N 490.644 5.599 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccc(Cl)cc4nn3)CCC2)cc1 1786366405 HHKVDYSOYPBRMS-UHFFFAOYSA-N 478.980 5.014 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)c1 1787350490 SICVTRZFXBIXKW-UHFFFAOYSA-N 492.501 5.353 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4ccc(F)c(F)c4)cc3)CCC2)c1 1788375573 AEHPJUVIMQZEIL-UHFFFAOYSA-N 497.505 5.288 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)Cc3cccc4ncccc34)CCC2)cc1 1788649478 KRMBAPVCTIZAMB-BUHFOSPRSA-N 495.604 5.412 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1)c1ccccc1 1789357785 HDDJTBCAFGUVHL-RUZDIDTESA-N 476.580 5.508 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1789448626 FCMJHGRIUGJOGJ-RPWUZVMVSA-N 495.664 5.679 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1789508093 KNRGKZVTXNWIOD-UHFFFAOYSA-N 471.677 5.551 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CS[C@H]4CCCCO4)cc3)CCC2)c1 1789549246 FQMDVZOEIGPPHA-CLOONOSVSA-N 477.630 5.321 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4sc(C)nc4c3)CCC2)cc1 1790568594 VVYLOWUEKFWKLZ-MRXNPFEDSA-N 464.591 5.153 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1)C(F)(F)F 1791106907 VCTFNYOMOMCOKM-UHFFFAOYSA-N 493.485 5.427 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5sc(N)nc5c4)CCC3)cc2)c1 1792122362 KRFLNOPCNMUFAQ-QGZVFWFLSA-N 495.608 5.567 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ccc(F)cc45)CCC3)cc2)CCC1 1792232805 LQRWCFXXJUKNEP-UHFFFAOYSA-N 458.537 5.068 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(OCc2nc(C(C)(C)C)cs2)c1 1800816696 RFNRRISOCIVEEP-UVUJQTEASA-N 495.689 5.484 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)c1 1802142266 HBXWASGHBHPRBE-ZINXYGQCSA-N 496.438 5.604 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1802744388 RHIZDYQPMRSMSR-CYFREDJKSA-N 493.394 5.202 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCc2ccc(C(F)(F)F)cc2)C3)c1 1803677228 CRLOXTPMGGXMSN-TZAMREQXSA-N 497.561 5.607 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)c1 1803685659 ZMTHVUONTNDURY-VOESYKHASA-N 499.561 5.824 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803999405 KNPFAAFRZHTRCF-HZHDMPHOSA-N 493.476 5.031 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1804209349 JDDWVFWTANYKOA-KCWPFWIISA-N 496.051 5.368 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)C1 1806015083 OWBQNGNNRZTBRN-UHFFFAOYSA-N 491.554 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1807732382 HGPDGOKZTZYICF-KHCICDEESA-N 495.048 5.433 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1810500402 OZVABENUNCFOKM-HYBUGGRVSA-N 479.024 5.528 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1810953788 REQGMZWMWXXBOV-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cccnc3SCc3ccccc3)[C@H]2c2cccnc2)C1 1811162768 LOORUSSLYGHIHM-ZEQKJWHPSA-N 498.652 5.055 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1812671469 CEFXYFOMLDJEAS-SVBPBHIXSA-N 499.561 5.012 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OC)cc2Cl)[C@H]1c1cccnc1 1813903761 WGHAGJLAPDIKGG-AUSIDOKSSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)[nH]n1 1814445835 XQHDGXIIDXCTRU-NRFANRHFSA-N 486.016 5.320 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1Cl 1814591264 CSNGOGCEABKGQT-HXOBKFHXSA-N 475.980 5.618 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cccc4ncccc34)n[nH]2)c1 1815181744 XTKWMYYUNSHOSM-NIYFSFCBSA-N 492.583 5.134 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1 1815536090 MRXJQPKEJCGOAM-UGZSSSENSA-N 460.500 5.346 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815586753 VPQPHFJVPHFKQI-NOZRDPDXSA-N 491.680 5.306 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(C)cccc4[nH]3)[nH]n2)c(O)n1 1816241407 HYRFXCWYCGGHMN-XMMPIXPASA-N 498.587 5.038 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)s1 1816353549 MPZNNVOYMAEXOF-HXUWFJFHSA-N 477.590 5.058 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817743074 WARBRROVIVDBQF-JOCHJYFZSA-N 475.618 5.005 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccccc34)n[nH]2)c1 1818454806 SWWGFLVOLREQDU-SIBVEZHUSA-N 477.568 5.810 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1818799281 HETJTEXFQRLBOX-NRFANRHFSA-N 494.020 5.341 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cc4ccccc4o3)n[nH]2)c1 1818812751 MTDBRBBMEONOKV-HBRDYDSTSA-N 495.539 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)nc3ccc(O)cc23)n[nH]1 1819004942 DZZQMNNBORLXLY-QHCPKHFHSA-N 475.593 5.270 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)[nH]n1 1819302514 GSZIHPDPHWRMEO-GHTZIAJQSA-N 492.517 5.571 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(OC)cc2)[nH]n1 1819552615 RTVVZLYITCEXCQ-XMSQKQJNSA-N 452.599 5.207 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(N(C)C)c(F)c2)n[nH]1 1821347692 RMLSMWCIHMSVRI-HXUWFJFHSA-N 473.568 5.052 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3nscc23)n[nH]1 1821520088 WRISDCMIHIDQLG-FQEVSTJZSA-N 451.596 5.318 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(Cl)cc4)CC3)n[nH]2)cc1 1821840859 WPIDILBVHVQYDW-QHCPKHFHSA-N 487.991 5.167 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(Br)c2F)[nH]n1 1821917563 WZVPVBMFLHGBTP-BEFAXECRSA-N 491.405 5.148 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1821986073 HLWIZDPGWZRICY-LBPRGKRZSA-N 463.337 5.295 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(F)cc3)n[nH]2)c(Cl)c1 1822220291 HFMPOHWNIBRUCB-JOCHJYFZSA-N 479.943 5.013 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)cc2c1 1823215597 XMWNXKNDWQOLDG-AVRWGWEMSA-N 480.572 5.446 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC3Cc4ccccc4C3)[nH]n2)c1 1823216125 OZKACQIBAQIWOA-AFMDSPMNSA-N 481.600 5.148 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)n[nH]1 1823348773 PEPWZPKXMXSAOA-FPOVZHCZSA-N 489.661 5.089 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1F 1823905788 QEHGZIKAVMHGQO-NBGIEHNGSA-N 461.581 5.308 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1)c1cccs1 1824032669 CGAQKQNZUOQCJO-PHDRRHCUSA-N 494.632 5.050 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC[C@H]1C1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824055763 DIFSUPWEHZCSEP-ANYOXOOPSA-N 492.969 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)CC1 1824443435 QFESBCKPGUPCLY-JTHBVZDNSA-N 476.633 5.445 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C(=O)Nc3ccccc3)CC2)CC1 1824555004 SFRJPQTVNUWJTJ-DEOSSOPVSA-N 479.665 5.017 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCCC2)CC1)NC(=O)OC(C)(C)C 1826263782 IPIDQSDKMRRTFW-BJKOFHAPSA-N 489.701 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sc(N)nc3c2)CC1 1826956499 IJJNWAAOSHNHOD-OAQYLSRUSA-N 468.667 5.104 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)c1 1828460335 RGBPEGYURLBJBP-CYRJMILMSA-N 461.650 5.398 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1 1828904661 ZTZWMAIFCIIQJK-NRFANRHFSA-N 472.668 5.390 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=N/N3CCCCC3)CC2)c1Cl 1828918004 FWPGHIWHTLIUNZ-LWKXQZBCSA-N 493.479 5.007 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829900368 HWXAOTWPURAYRJ-QUCCMNQESA-N 457.467 5.181 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830607912 KPEVRCLTRFAQEI-HOFKKMOUSA-N 492.664 5.128 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)cc1Cl 1830782784 IIGUKLNEUKGZJA-NRFANRHFSA-N 494.463 5.564 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(C)cc3Br)CC2)C1 1830805298 ZXDDJEYFWVXTFY-QFIPXVFZSA-N 477.418 5.096 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc4ccc(Br)cc34)CC2)C1 1830826719 IPCJSJHVUOJDMV-XMMPIXPASA-N 496.449 5.197 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)CC1 1831853986 ODZVLWHABVOBFP-DNQXCXABSA-N 489.701 5.046 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1832030317 LKPCEJRVWFGWBG-NDEPHWFRSA-N 473.661 5.521 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cnc(C)s2)CC1)c1ccccc1 1832349390 GYYJZYFFUGZHEP-AYFFHWRWSA-N 489.685 5.282 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1F 1832629126 JVWDHVDYWMMTJN-NBGIEHNGSA-N 461.581 5.308 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)c1 1832634812 WFBHNGPMHOTXCY-AJTFRIOCSA-N 487.644 5.486 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)cc1C#N 1832704888 XUCCSQCLVRYYJN-WUFINQPMSA-N 499.655 5.309 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CC3)CC2)c2ccccc12 1832997040 MMLNYAZWADMAMM-AREMUKBSSA-N 457.618 5.004 30 20 JKED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)C1)c1ccccc1 1845247282 LHMFPGSSYDHMAB-RUZDIDTESA-N 494.676 5.069 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(C)(C)C)cc2)c1 10172646 DTTBSLPCZHPBBZ-UHFFFAOYSA-O 457.663 6.428 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)s1 10826175 NPVIHQLUZVNUFR-UHFFFAOYSA-O 498.480 6.984 30 20 JKED N#CCC[C@H](C#N)CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 15236935 MEJYCARTOAYYGY-SKCQWOFPSA-N 473.360 6.053 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2OC)nc2scc(-c3cccs3)c2c1=O 16986864 CWLDNSICUSNPGK-OAHLLOKOSA-N 497.667 5.809 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1c(Cl)cccc1Cl 21459823 MOLDYVZMTDBXBY-UHFFFAOYSA-N 467.353 5.220 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cc(Cl)cc(Cl)c2)c1 22733042 DXOYCRWRQMCKRJ-UHFFFAOYSA-O 452.333 5.918 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccoc1C 23519805 ISUSYZQYBIYSNV-GOSISDBHSA-N 476.602 5.334 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nnc1-c1ccoc1C 24834079 IGXIMIWPZORRRL-UHFFFAOYSA-N 479.631 6.083 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 32785650 DSRRGSJSFGNIHG-IBGZPJMESA-N 490.629 5.606 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3ccccc3Cl)cs2)CC1 43760521 UTZKKGCFGQMJBF-UHFFFAOYSA-N 479.949 5.438 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCc2nc(C)c(C)o2)c1 109023017 XCOBDYXYKALRSG-UHFFFAOYSA-N 494.491 5.049 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cnn(-c3ccc(F)cc3)c2C)cs1)c1ccc(F)cc1F 214115792 SIXACHJLBABIJY-POHAHGRESA-N 482.487 5.635 30 20 JKED Cc1cc(NC(=O)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)ccc1Br 303050727 VFTHROFRCTVFLU-UHFFFAOYSA-N 494.414 5.290 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 303081487 DJDACGOBJIBLTG-HXUWFJFHSA-N 467.766 5.024 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)c2nc3ccccc3s2)c1 477343117 XAKRVKNORUXKIH-UHFFFAOYSA-N 498.029 5.608 30 20 JKED COc1cc(CN(C)C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)ccc1SC 477847090 PXQWXYSIGILKRB-UHFFFAOYSA-N 491.638 5.292 30 20 JKED CC1CCN(c2ccc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cn2)CC1 481623210 IZYSCHZMBBBJRG-UHFFFAOYSA-N 473.552 5.229 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC(OC3CCCCC3)CC2)cc1Cl 497941032 RXCSIJJZTXBRMC-DEOSSOPVSA-N 480.008 5.274 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1 503096855 TYGHBEBPBZBNMF-CQSZACIVSA-N 480.943 5.773 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1 508263384 DOQJEWUECGDPSX-OAHLLOKOSA-N 477.471 5.987 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc(SCCOC)cc1 509511579 WUHNRGDYNQXICU-INIZCTEOSA-N 481.431 5.786 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 510343449 RRSWKJBYYZMMJA-UHFFFAOYSA-N 484.438 5.237 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(-c2ccccc2OC)nn1-c1ccccc1 514574169 HRHMAKUEKYLNQV-UHFFFAOYSA-N 482.540 5.226 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 515109661 DBNLNILLTKSHIB-UHFFFAOYSA-N 492.601 5.045 30 20 JKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 515542852 BVZGMFWSWFTHQS-GOSISDBHSA-N 453.552 5.609 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nc2cc(Cl)ccc2c1=O 515598163 AZOMYANWXLBBGZ-UHFFFAOYSA-N 497.045 5.978 30 20 JKED CC(C)CNC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1Cl 515742571 IBUHRWQOWBBAHI-UHFFFAOYSA-N 463.990 6.001 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)c2C#N)C1 516461413 ZFLSYAZGBRHOTN-OAHLLOKOSA-N 490.094 5.977 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccccc4SC[C@@H](C)C#N)c23)cc1 517450629 HCROMSLEDGEMEF-KRWDZBQOSA-N 490.679 6.649 30 20 JKED Cc1ccc(-c2nc(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cs2)o1 517461532 KZXAWSJKWNWXCE-UHFFFAOYSA-N 451.495 5.917 30 20 JKED CCOc1ccc([C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C(C)C)cc1OCC 517912252 VZLVBEOYQKTENK-SANMLTNESA-N 465.594 5.306 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(Oc3cccc(F)c3)nc2)cc1OC 518273384 TXEWQIKYVKHIAJ-UHFFFAOYSA-N 473.342 5.639 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C)c3NC(=O)c3ccccc3F)n2)cc1 518516526 IXSVQOVIHWPZGM-NRFANRHFSA-N 485.540 6.009 30 20 JKED Cc1ccc(Cc2nnc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)s2)cc1 518661679 FWRBXJHGWCPVGA-UHFFFAOYSA-N 456.575 5.084 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 518756107 YVRUVJQCDVJWEI-OAHLLOKOSA-N 477.417 5.378 30 20 JKED N#C[C@H](C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1nc(-c2c(F)cccc2F)cs1 518871024 QPWJDMZAOITXGL-MRXNPFEDSA-N 479.533 5.570 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 521679682 VGTDUUAIYQFOLC-UHFFFAOYSA-N 466.006 6.101 30 20 JKED CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 521811420 GRUFQEBDLXNJGC-UHFFFAOYSA-N 487.947 6.097 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 603601156 SKSQCGYQUBHEJU-RUZDIDTESA-N 451.551 6.526 30 20 JKED N#Cc1ccc(CSCC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 603735202 XHZOXLQPOOCWAQ-QHCPKHFHSA-N 480.515 5.592 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1Cl 603759151 VEGNMGSWMJVTRB-HYBUGGRVSA-N 475.951 5.625 30 20 JKED C=CCn1c(SCC(=O)N(CC)CCC#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 603896707 ZRLSMHJOPVJHOR-UHFFFAOYSA-N 496.640 5.509 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Br)cc3Cl)s2)cc1 603945960 VLXLZLWYBKNCEJ-UHFFFAOYSA-N 465.785 5.370 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)o1 603964408 KJVXGKYOVCACOG-DEOSSOPVSA-N 480.499 5.390 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN(C)C[C@@H]3CCCO[C@@H]3c3ccccc3)c2C#N)C1 604521202 BXNJUWAJCJMVKX-KNOQFWTLSA-N 451.636 5.173 30 20 JKED N#Cc1cc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1OCC(F)(F)F 608841239 XSASXKOHYZWMFD-OAHLLOKOSA-N 489.429 5.100 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(=O)n(Cc4ccc(Cl)c(Cl)c4)c3)o2)cc1 609059235 LKIWBGUQQOAUTP-UHFFFAOYSA-N 494.334 5.499 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc2)c1 609073364 DNBMTDFSDJIMCK-MHZLTWQESA-N 461.521 5.247 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)ccc1OC(C)C 609078415 PERAQSKWEQCJDO-FQEVSTJZSA-N 473.573 6.124 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1NC(C)=O 609079773 KGCQKWOEWSIXNM-UHFFFAOYSA-N 478.936 5.079 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)c2)cc1 609176965 XZMKFTINLKOTJO-ZEQKJWHPSA-N 473.529 5.019 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c(C)c1 613041604 RTFXRYOIEFYIID-AREMUKBSSA-N 486.015 6.739 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3)o2)cc1 613320374 XEZSBIPDAIKZNW-JOCHJYFZSA-N 496.979 6.979 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)c(Cl)c1 726399243 MXZYAWKYTSWDQD-ORAYPTAESA-N 481.952 5.004 30 20 JKED N#Cc1ccc(NC(=S)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)cc1Cl 726446302 XQODQWAYQSZGRL-DAXSKMNVSA-N 461.974 5.900 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)cc2F)cc1 726571591 YOCSTNJRABNDFC-UHFFFAOYSA-O 484.979 6.398 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2ccc(C(CC)CC)cc2)c1 726573283 VSNPQCWTHCNRBE-UHFFFAOYSA-O 471.646 6.499 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 727058438 NIMSOHLKZLEZJH-UHFFFAOYSA-N 483.956 5.220 30 20 JKED COCCC(=O)OCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1sccc1C)CC2(C)C 727211336 PHTOTEWGGSLJLK-WAYWQWQTSA-N 470.616 5.286 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1=S 727431829 WVRMZXFJHMJMAV-DEOSSOPVSA-N 494.064 5.250 30 20 JKED C[C@H](OC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)N(CCC#N)c1ccc(F)cc1 727561848 NMUGVDHHIKUBNB-AWEZNQCLSA-N 457.914 5.095 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 728424683 GOTSZVDZNLHPRT-HOYKHHGWSA-N 483.597 5.237 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 729146559 SXQIMGHTPNLWPU-NRFANRHFSA-N 494.617 5.240 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1OC 729430418 WGIXCAXKMHRLMW-HSZRJFAPSA-N 457.505 5.305 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCC2)cc1F 730461490 CYTZMTVZGBOBIO-GOSISDBHSA-N 496.391 5.654 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(C3CCC3)C2=O)cc1Cl 730463101 SDEUDXXHIDBSMH-FQEVSTJZSA-N 452.967 5.033 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=Nn1c(S)nnc1-c1ccc(F)cc1 730550303 ZROSAFWFRORTAY-UHFFFAOYSA-N 461.353 5.115 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2cc(C)sc2C)cc1 730717522 OBBCMWZUMRFKDT-OXQOHEQNSA-N 479.631 5.185 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730942470 QDMBLKYLWQNEIR-YADARESESA-N 488.613 5.429 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 730942768 XAXXUUILDFWUIO-QKKBWIMNSA-N 484.503 5.220 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)n1Cc1ccccc1 731063099 HQNIHXCPMOCJNE-IBGZPJMESA-N 461.587 5.343 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)s2)c1 731306346 AJSAHAFOPUOABW-OAQYLSRUSA-N 465.600 5.231 30 20 JKED Cc1cccc2[nH]cc(CCN3C(=O)[C@@H](CC(=O)Nc4cccc(O)c4)SC3=Nc3ccccc3)c12 731306869 OUWJOUAGXUGDEV-XMMPIXPASA-N 498.608 5.385 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cc(C)ccc1F 743524116 HEZDMWCIZQGPAC-GOSISDBHSA-N 477.533 5.042 30 20 JKED Cc1ccc(-c2ncc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)s2)c(C)c1 747112434 VVGJUFPHMVDNHJ-QGZVFWFLSA-N 457.527 5.703 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cscn2)C1=O)Nc1ccccc1 747603371 UOHAQOPEEYYWQM-JOCHJYFZSA-N 472.595 5.457 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cscn2)c1 747603464 SCNOUTOQSODQKK-OAQYLSRUSA-N 464.616 5.427 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1-c1ccccc1 750911294 PEAFXKUAULPUPT-MHECFPHRSA-N 470.598 5.110 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cccc3cccnc23)C1=O 750912691 WOCHQDTWCKBVFK-XMMPIXPASA-N 480.593 5.170 30 20 JKED CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)c1 758020828 GVYXIJWHEWQSLS-UHFFFAOYSA-N 467.978 5.196 30 20 JKED C=CCN(Cc1cccs1)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 788141579 ONUHFCKGMRGCFU-SFHVURJKSA-N 450.004 5.276 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)SC1=Nc1ccc(OC)cc1 799220095 GBGRAELVXBGSSI-GOSISDBHSA-N 496.803 5.249 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1[C@@H](C)c1ccccn1 837301970 QUENJFZCLMAZBT-FDDCHVKYSA-N 493.032 6.073 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 857763323 XGFSGWLYKCBWPI-OAHLLOKOSA-N 471.941 5.403 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1 914547384 NSOAUBCMUJMJBP-HTAPYJJXSA-N 479.005 5.134 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCC(C)C)c1 914555726 LEFGSVFDEOCBHK-JOCHJYFZSA-N 466.607 5.042 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@H](C#N)c1nc2ccccc2o1 915105256 XKZBVAZTFVIMNM-ZBFHGGJFSA-N 486.578 5.703 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1Cl 916135157 ASLQQXUEMQRVAL-WUXMJOGZSA-N 456.325 5.916 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)c1 916204722 AHVXLSGTNBWYOV-HXUWFJFHSA-N 491.535 5.617 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1 916211683 OHVWWXGCNDZNAH-QFIPXVFZSA-N 480.540 5.137 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2Cc2ccco2)cc1 916213549 DCRHRFGFWCISJJ-OAQYLSRUSA-N 499.976 5.111 30 20 JKED CCOc1c(Br)cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc1OC 916278517 MULFBRCDBSPGKD-UHFFFAOYSA-N 497.418 5.363 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 916885049 LLVARKRREDDJRC-INIZCTEOSA-N 472.353 5.577 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 916948044 RDRWOTUYCGQYQK-KXBFYZLASA-N 479.989 6.128 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 916954526 ISQYSNBUGKTFAM-BXKMTCNYSA-N 467.573 5.293 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2)c1 917039847 FRIZQLSADZMPTC-IBGZPJMESA-N 495.507 5.306 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CSc3nccn3Cc3ccccc3)c2)c1 917186574 OGQVAZMUYPGHSG-UHFFFAOYSA-N 454.555 5.113 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C(/C(=O)c2nc3ccccc3s2)c2ccccc2)cs1 917560036 QGGGYEGHIDZUIW-XQNSMLJCSA-N 495.629 7.169 30 20 JKED C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(C(CC)CC)cc1 917607134 NFFAROZXPHHHPS-UHFFFAOYSA-O 455.647 6.436 30 20 JKED Cc1cc(C)c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)cc1C 917614150 ZPGOZRAMIPYFRG-UHFFFAOYSA-O 490.652 6.685 30 20 JKED Cc1sc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)nc1-c1ccc(OC(F)F)cc1 917871446 POYYVWZWWBVXDJ-UHFFFAOYSA-N 455.895 5.046 30 20 JKED CCc1ccccc1NC(=O)C1=C(C)N(c2ccccc2Cl)C(=S)N[C@H]1c1cccc(C#N)c1 918016501 FVSHZSGELNFECT-VWLOTQADSA-N 487.028 6.123 30 20 JKED CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 919904592 OUUPTDISIILAEI-RUZDIDTESA-N 491.433 5.700 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920143748 ZQPCNVSOZIBGSE-ACJLOTCBSA-N 468.401 5.801 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4c[nH]c5cccc(Br)c45)CCC3)cc2)C1 1785804334 AFSXFMAXILCEDT-UHFFFAOYSA-N 492.417 5.573 30 20 JKED Cc1cc[nH]c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1 1787103239 QZNBMCMYJCGGPK-UHFFFAOYSA-N 477.362 5.019 30 20 JKED COc1ncc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1C 1787579055 ZKLGUWPSOZTCMB-IBGZPJMESA-N 468.557 5.087 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)CCOc4ccccc4)cc3)CCC2)c1 1787674274 ISGOZVGDNPWWHB-UHFFFAOYSA-N 467.569 5.094 30 20 JKED CC[C@@H](C)[C@@H](C(=O)NC1(c2ccc(NC(=O)C(C)(C)NCCC#N)cc2)CCC1)c1ccccc1 1788029435 VDCQBJIOVCBJFX-PXDATVDWSA-N 474.649 5.232 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)CC[C@H]3CNc4ccccc4C3)cc2)CCC1 1788067748 OKLFZBSSBQKNET-JOCHJYFZSA-N 457.618 5.379 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4ccc(OC)cc4)cc3)CCC2)C1 1788377939 JEKDUTLNCYPZEB-UHFFFAOYSA-N 467.569 5.471 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cnc4ccoc4c3)cc2)CCC1)c1ccc(O)cc1 1788484615 NCTXSVFGYSPPFD-NRFANRHFSA-N 493.563 5.478 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3sc(Br)nc3C)cc2)CCC1 1788871277 DQMPVQBAEIOOPX-ZDUSSCGKSA-N 462.413 5.174 30 20 JKED Cc1nc2ccccn2c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1788929924 WEUIIAHJWXCMPV-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789074402 BFBHETFMSUQQRL-MRXNPFEDSA-N 451.954 5.160 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(F)c(F)c(Cl)c3)CCC2)cc1 1789579763 XJSYMNKXKAFHRV-XODNFHPESA-N 471.891 5.078 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ncsc5[nH]4)cc3)CCC2)c1 1789670074 XJTMFYWIJPPARC-INIZCTEOSA-N 469.570 5.313 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)CCC1 1789785199 VKWUTHWYFOBKCV-UHFFFAOYSA-N 451.473 5.301 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OC(C)(C)CC4)CCC2)cc1 1790509263 UUQPNEZNZGECSG-UHFFFAOYSA-N 490.600 5.047 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@@H]4C4CC4)CCC3)cc2)ccc1Br 1790744699 PDDOMASVENFQRW-RTWAWAEBSA-N 478.390 5.115 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)nc4)CCC3)cc2)c1 1790764770 IYOXUAAFVPMBNU-UHFFFAOYSA-N 482.437 5.173 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)no1 1790785003 KHLVJOUTSQEKJR-UHFFFAOYSA-N 482.462 5.189 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)CC(C)(C)C)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791682210 VROWFHWJLIVZRV-NRFANRHFSA-N 469.626 5.122 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)CCC2)cc1 1791730243 URTLYEORMGXMIJ-QPPBQGQZSA-N 495.664 5.398 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1)NC(=O)OC(C)(C)C 1791949640 BZPJAIOIIMTLSF-QFIPXVFZSA-N 495.620 5.124 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C(F)(F)F)cc4)CCC3)cc2)CCC1 1792229733 XPWZBQVJHGQSIP-UHFFFAOYSA-N 455.480 5.076 30 20 JKED CC(F)(F)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1 1800505183 UGXIRJVHNKBUOF-BKFWDETESA-N 464.556 5.020 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(F)cc2C(F)(F)F)C3)c1 1803682996 UVHDSRPOTJDJCE-GAZPGATBSA-N 473.470 5.037 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)C3)cc1C#N 1803839133 KCKYVEPXWOYWBV-VUXRACJTSA-N 492.019 5.054 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)COc4ccc(Cl)c(F)c4)C3)CC2)c1 1805934898 NIENZQUKXKUPOV-IBGZPJMESA-N 497.998 5.030 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)c4ccccc4c3)CC2)C1 1806025193 DATBPTAIBDQFJZ-IBGZPJMESA-N 499.449 5.038 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C4(c5ccc(F)cc5)CC4)C3)CC2)c1 1806632557 ZBBHIWGTYCGJBM-OAQYLSRUSA-N 473.592 5.029 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1)c1ccccc1 1807964542 DHSCQSMWSCMZJA-GNKBHMEESA-N 497.620 5.406 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc3sccc3[nH]2)[C@H]1c1cccnc1)c1ccccc1 1810019391 IREJENQDAJYKML-QSEAXJEQSA-N 496.636 5.141 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1810273892 ZWETVHZAGLDZEN-UHSQPCAPSA-N 489.736 5.080 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@@H]1c1cccnc1 1810511076 VMFJPNCASHVDKG-OEQAEZTDSA-N 485.603 5.343 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccsc2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811250719 BNIDXTBQKVNAHT-IAPPQJPRSA-N 491.616 5.176 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)CC1 1811421284 YFZHFAROUKNEAX-RFEOYDEGSA-N 493.051 5.389 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811753142 UNNNKQLUVRUMCE-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2OC)[C@@H]1c1cccnc1 1813907290 ANNHYMLZYNIQIZ-XXBNENTESA-N 470.013 5.056 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c4ccccc4n4ccsc34)[nH]n2)C1 1814396435 CAYCUYFOPKPWLC-HXUWFJFHSA-N 459.575 5.149 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[nH]n1 1814569367 MBMFKBXWAJYIFY-AWEZNQCLSA-N 485.869 5.077 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1814828315 GFZGPBGHAQJGFB-DEOSSOPVSA-N 497.599 6.225 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3c(Cl)cccc23)[nH]n1 1814828336 HAHDNNBLDOQIDZ-LJQANCHMSA-N 466.973 5.014 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(OC)c(OC)c2)n[nH]1 1815504229 XNEVRVPKQUBHJV-OAQYLSRUSA-N 482.625 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)noc2C)n[nH]1 1816335684 HOELNKUJBUKEEF-RBBKRZOGSA-N 473.577 5.447 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817764721 GKBGMWFIHLQLJI-JTSKRJEESA-N 461.541 5.129 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3c(Cl)cccc3s2)n[nH]1 1818773476 VMOUFAFTUKRCBM-MRXNPFEDSA-N 455.971 5.133 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@]3(F)CCCCC3(F)F)n[nH]2)c1 1818891341 GTQXIYLQCXMGDP-MYRUOYEDSA-N 487.526 5.260 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)[nH]n1 1819309090 MEDLBLWLOVCXTR-ICSRJNTNSA-N 481.000 5.094 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)c(F)c2)[nH]n1 1819311090 KTVNUFGNVMZCBS-REWPJTCUSA-N 480.584 5.412 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1819359843 HOCRNXQJNVCOGD-BVPXDSKXSA-N 499.640 5.957 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)[nH]n1 1819385569 XWKVLXQDIZKZPR-KRWDZBQOSA-N 461.038 5.013 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)cc1 1819481082 LXLKZAUYYGBTBT-LBYSXPAKSA-N 489.620 5.089 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2F)n[nH]1 1820198963 RGXRMPWXWZGEHI-OAQYLSRUSA-N 451.546 5.328 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1820655255 VSZSDUIXYRRYMW-IBGZPJMESA-N 498.370 5.216 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n[nH]1 1821082960 GJJQKSUZXNYVFN-INIZCTEOSA-N 474.405 5.085 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)[nH]n2)ccc1F 1821119553 XEWOQAOTTLNXHS-QHCPKHFHSA-N 489.551 5.136 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)c(OCC3CC3)c2)n[nH]1 1821233411 KYHXVPMZVQNCDD-HSZRJFAPSA-N 492.620 5.281 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cccnc4s3)[nH]n2)c(Cl)c1 1821277724 GVYLMEYCMLTPKW-LJQANCHMSA-N 490.976 5.164 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4ccncc34)n[nH]2)c1 1821416133 LHMZWQYQVRLMQL-CJAUYULYSA-N 478.556 5.205 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sc(C)cc4[nH]3)n[nH]2)c1 1821441552 NBDZGYFGLSHCQP-OAQYLSRUSA-N 472.574 5.061 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)n[nH]1 1821869285 OHRISRHIPSSSJQ-OAQYLSRUSA-N 468.001 5.261 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)[nH]n1 1821987961 YFHXWLVPJJCZBO-INIZCTEOSA-N 474.405 5.085 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)ccc2[nH]1 1823218064 YGGAXFKJDIMAAN-CRICUBBOSA-N 480.572 5.446 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)[nH]n2)cc1C#N 1823292355 HYMGZPNAVOHCRY-JOCHJYFZSA-N 491.979 5.342 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1824144754 DXEUWNDFPNXSRY-VWLOTQADSA-N 482.665 5.025 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c[nH]c3cc(OC)ccc23)CC1 1824224052 IYYLLHYSVVTUCH-AREMUKBSSA-N 479.665 5.331 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)sc2C1 1824224654 SXYCIZIAVWVJBV-OYHNWAKOSA-N 494.642 5.065 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)cc12 1827682785 LKPMKYOCXZUIPL-NFPSEPLVSA-N 489.641 5.210 30 20 JKED C[C@H](Sc1cccs1)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc([C@H](C)C#N)c3)sc2C1 1827697710 QIAKROZKIASTFI-RVKKMQEKSA-N 496.683 5.238 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1Cl 1827773584 WWKRCPIETUNHEV-HXUWFJFHSA-N 492.929 5.106 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827778351 IEACXQMHDNINMF-HSZRJFAPSA-N 497.602 5.304 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828097344 RVSGQJFIEPBBQQ-FQEVSTJZSA-N 461.578 5.049 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828351537 UDTHUDATKRXCHN-HVFVVBAHSA-N 454.636 5.020 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1828396338 BISVHRUXYPQAND-VJGNERBWSA-N 490.047 5.178 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1828606973 VVBQPTGDXZVBNP-XMMPIXPASA-N 489.616 5.654 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1828886312 NCYOSGVSWHBZKC-PZJWPPBQSA-N 489.081 5.361 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1828888695 FUOSUDXQGNDRES-RRPNLBNLSA-N 474.645 5.160 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 1829068801 RCAUYRQXKGXXBK-VWLOTQADSA-N 495.664 5.259 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(-c4cccs4)on3)CC2)cc1 1829282370 WHFPACRMJGJBPP-QHCPKHFHSA-N 488.613 5.016 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)C1 1829648594 XQCCGTHRCXUAGE-IBGZPJMESA-N 486.937 5.697 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@]3(F)CCCC=C3F)CC2)c1Cl 1829690747 CVKLJLVRQCPWEM-CJFMBICVSA-N 475.967 5.191 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1829927544 VSSJOUHWKXHOID-QFQXNSOFSA-N 473.617 5.259 30 20 JKED Cc1nc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4)CC3)c2s1 1830014755 DZPXSLKVXYYSTQ-DEOSSOPVSA-N 472.614 5.024 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)CC1 1830189360 RZQINOZJZNPTQO-MHZLTWQESA-N 491.752 5.381 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830441470 VWAVZXDREBSYQR-SANMLTNESA-N 468.613 5.041 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Br)cc3c2)CC1 1830872468 BIMBGWHZTGCQQK-UUOWRZLLSA-N 498.465 5.443 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 1831717127 SOLALBUNYYABLN-FRXPANAUSA-N 499.699 5.098 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](c2ccc(F)cc2)C(C)C)CC1 1831751870 AJKKXCZNJOKHOJ-VPUSJEBWSA-N 454.630 5.379 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 1831860192 SOGJTXBBDHYQTH-QFIPXVFZSA-N 473.455 5.067 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CC3(CCC3)C2)CC1)c1ccc(O)cc1 1831929429 XCRHBKFCQZVPIK-SHQCIBLASA-N 476.661 5.089 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Sc2ccccn2)CC1 1832163865 ODXRTEWMUYZOOI-UNMCSNQZSA-N 457.684 5.174 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1832198653 RLGOYDOEEGQOAR-BTPKJCKWSA-N 479.741 5.156 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(CCCCC)cc3)CC2)CC1 1838750843 UGKKZEGOBZTMAO-HSZRJFAPSA-N 468.682 5.173 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(-c3cccc(Br)c3)cc1)C2 1845981589 GIWJKMRHPHXTEE-SFHVURJKSA-N 467.407 5.145 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C)CCC1 1847229475 VHBWGHUPNBDGQC-FKBYEOEOSA-N 477.690 5.022 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)c1 10174546 LRHYKGPFCUVQKM-UHFFFAOYSA-O 451.562 5.744 30 20 JKED C[C@H](Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1)C(=O)Nc1ccccc1C#N 10539606 XVPGKFABMUHTER-KRWDZBQOSA-N 489.988 5.491 30 20 JKED C=CCn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nc2scc(-c3cccs3)c2c1=O 11383098 OTAGCZUDJOEBEX-UHFFFAOYSA-N 492.651 5.101 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccoc4C)n3C)c2C#N)C1 14063656 CNWNXFLIHCBNBO-HNNXBMFYSA-N 483.663 5.589 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 15248141 XRNILTQCYOMHIL-UHFFFAOYSA-O 459.513 5.876 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 20057426 UDSVWXSEZOWNJQ-UHFFFAOYSA-N 462.394 5.508 30 20 JKED N#CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)cc1 20057495 LMGSMYAVGYVTGW-UHFFFAOYSA-N 458.587 5.084 30 20 JKED N#Cc1cc(C#N)c(S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nc1N 21424785 DINSYMRRFDVJPG-SFHVURJKSA-N 454.342 5.186 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nc2cc(Cl)ccc2c1=O 21831506 KBZCUBMTRHDRSY-HNNXBMFYSA-N 456.011 5.480 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 22151900 DVRHMBVRAKMDBJ-UHFFFAOYSA-N 464.616 5.248 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(C(F)(F)F)c2)c1 22693554 VYUGCVBKESDTFX-UHFFFAOYSA-O 451.440 5.630 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 22801856 BDQQHHDZEDYIFT-UHFFFAOYSA-O 483.604 5.330 30 20 JKED C=CCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc2sc(-c3ccccc3)cc2c1=O 23559858 DMIOCPURZLCJPE-UHFFFAOYSA-N 492.651 5.518 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1 23608125 MVQBTFZSUGXNIT-JOCHJYFZSA-N 499.640 5.939 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 303158130 HCLHRFOBZIVAGP-UHFFFAOYSA-N 499.567 6.459 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccnc1Oc1cccc(Br)c1 303300825 OOUQZDRFFCNHIF-HNNXBMFYSA-N 468.376 6.140 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 409816739 ZGCQRQCJQWLZDX-LJQANCHMSA-N 485.462 5.239 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 483382937 WZIXFGGPZKXOMN-XMMPIXPASA-N 487.550 5.159 30 20 JKED COc1ccc(-c2noc(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)n2)c(OC)c1 501059550 NYINISFLUILTDB-UHFFFAOYSA-N 460.515 5.061 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1 507873802 AQUNEVMPQHITKT-UHFFFAOYSA-N 453.542 5.160 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1 508278859 MCNVNFASSUQTKW-UHFFFAOYSA-N 480.515 5.233 30 20 JKED N#Cc1c(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)sc2c1-c1ccccc1CC2 508974060 AFVHZIRDJFBQHT-UHFFFAOYSA-N 471.563 5.419 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4sc5c(c4C#N)-c4ccccc4CC5)CC3)c2c1C 511084561 DAHRESCFKBCGBG-UHFFFAOYSA-N 499.665 5.862 30 20 JKED C=CCN(C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1nc2c(s1)CCCC2 514891924 IWHZIXPFPQCJPA-UHFFFAOYSA-N 463.632 5.909 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)n(C2CCCC2)c1C 514907468 JLYOUUAWUSHOJE-UHFFFAOYSA-N 497.628 5.465 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 515697007 JEZLUDZAVASYNU-UHFFFAOYSA-N 451.498 5.056 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2)c1 516044341 HVPNCRFCJHRCIM-UHFFFAOYSA-N 494.526 5.012 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)cc1 516269927 FHAIVEQNVGPCGM-FQEVSTJZSA-N 495.482 6.515 30 20 JKED C=CCN(C(=O)C[C@@H](C)Cc1ccccc1OC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 518600452 BTYYBZHKHNEJRY-KRWDZBQOSA-N 451.548 5.515 30 20 JKED CC(C)c1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1Cc1ccco1 518653921 OLWVSLFEXNMYHH-MRXNPFEDSA-N 455.609 5.168 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 518750628 XGSHWEBBWDKGJT-LJQANCHMSA-N 465.619 5.213 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1C 519067096 FYGNJEOIBBDKBS-UHFFFAOYSA-N 461.525 5.997 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)cc1Cl 519105462 RCIRXAJKEHEHAX-OAQYLSRUSA-N 467.356 5.087 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccncc2)nnc1-c1ccc(Cl)cc1Cl 520100844 XNENADPHAQWYIE-AWEZNQCLSA-N 462.406 5.145 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 520856573 KAJMPITVJCDGQR-HNAYVOBHSA-N 460.397 5.306 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 521095308 LEXIBFFIXAJXFH-UHFFFAOYSA-N 461.474 5.123 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c12 523961440 NYUGDVYOYAIGKG-INIZCTEOSA-N 461.403 5.572 30 20 JKED Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c(C)o1 524304693 IRPKKVNQEANGTC-UHFFFAOYSA-N 472.545 5.295 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cc(Br)ccc2F)cc1 556620049 SQVKTZAPTVMIPL-UHFFFAOYSA-N 455.352 5.682 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)nc2sccc2c1=O 588636298 LZACCMPLDJOWJI-OFNKIYASSA-N 478.639 5.212 30 20 JKED C=CCn1c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nc2scc(-c3cccs3)c2c1=O 589698909 IJNCGKLQVGLPQM-IBGZPJMESA-N 490.635 5.142 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)c1 589805600 KWNCVGMPJDMUMU-QHCPKHFHSA-N 479.374 5.248 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nncn3-c3cccc(Cl)c3)c2C#N)C1 589942132 MBXWIMBQRDFTGF-CYBMUJFWSA-N 458.012 5.100 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3c4c(nc5ccccc35)/C(=C\c3ccco3)CC4)CC2)cc1 603460813 RQTXMDCNPXDIFA-CLCOLTQESA-N 488.591 5.534 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 603609406 XBBHJAZVJOQYED-OAQYLSRUSA-N 453.567 6.012 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cs2)cc1 603995651 ROITUGHYQUBURP-UHFFFAOYSA-N 482.565 5.336 30 20 JKED C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604211600 YSAZCVDWOSUIKO-AWEZNQCLSA-N 469.328 5.210 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 608995372 MDAZUMRHIQIMPC-DEOSSOPVSA-N 465.912 6.057 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 609073986 PHVICVIBFOBPGH-HXUWFJFHSA-N 495.539 6.073 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)Cc1csc(Br)c1 609078982 GFGHRWFMEINIRU-UHFFFAOYSA-N 470.392 5.934 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1 609226807 DVKXHPOKSAOMLD-RUZDIDTESA-N 473.504 5.094 30 20 JKED COc1cc(CN(C)C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)ccc1SC 609403865 GUZSIXCLLAQOGD-UHFFFAOYSA-N 497.564 5.039 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)n(C2CCCCC2)c1C 611169075 DHSHTKPFENYDGH-KRWDZBQOSA-N 477.634 5.942 30 20 JKED N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc2ccccc2n1C(F)F 613403037 BDDPZESNBJFZAQ-GOSISDBHSA-N 458.443 6.064 30 20 JKED O=C(Cc1ccc(F)c(Br)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 614452433 DFTZPFBJPAFGNK-URLYPYJESA-N 450.192 5.156 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(F)cc1Br 616005701 WHZAWGXBGWWWRH-UHFFFAOYSA-N 490.169 5.723 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1cccnc1 623014827 QOBXRHUEDUAVLO-DEOSSOPVSA-N 473.577 5.005 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(COC(C)(C)C)c2)cc1 726105314 ACPBQFWJONZXKW-HSZRJFAPSA-N 479.646 5.111 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(CC[C@@H](C)OC)C1=O 726391610 AWMHUUFULCESQU-WZONZLPQSA-N 483.634 5.204 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2F)c1 726398946 VZJPSZQYLMOBGY-HSZRJFAPSA-N 493.560 5.003 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CC2)cc1F 726410476 HEKVODGIWMKQHO-JOCHJYFZSA-N 463.534 5.110 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(C)C)cc1 726416231 TWXLJAQLPPVXCM-OAQYLSRUSA-N 469.994 5.029 30 20 JKED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)cc1OC 726733124 QEFOZYXBKDJHEY-IBGZPJMESA-N 482.989 5.076 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1=S 727431961 YQBLOWTZTDDRDZ-NRFANRHFSA-N 491.444 5.613 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 728063169 YEXQPFRXGMGNBM-MRXNPFEDSA-N 464.909 5.446 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1 728778218 RXXWQEVMBZOZQI-IBGZPJMESA-N 485.407 5.103 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1 728778603 DKQCREDPYPBUEH-JOCHJYFZSA-N 483.037 5.865 30 20 JKED COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCC(=O)Nc1ccccc1Cl 730583159 CVHYFUSYZQOSLI-JXMROGBWSA-N 486.351 5.924 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2ccsc2)C1=O)Nc1cnccn1 730726371 DUGBNENRKBZXNI-QFIPXVFZSA-N 499.621 5.366 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 730996706 YSHJFKWCRIUPJO-XESZTULISA-N 472.599 5.290 30 20 JKED COc1ccc(OCc2nnc(S)n2N=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 731151786 VQMQVXHHLUZSQE-UHFFFAOYSA-N 497.024 5.309 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cncc(-c2cnn(C)c2)c1 731163559 LMBHZEVAUVHQOC-XMMPIXPASA-N 498.568 5.317 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccccc2F)C1=O)Nc1cccc(O)c1 731305046 FUOLCQSQQLBXEE-OAQYLSRUSA-N 483.952 5.345 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccccc1F)c1cccs1 731311817 HVPIWLKEJXVVDV-LUZGFVIMSA-N 483.590 5.183 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 731345434 UYELCPOWAFRYMD-IERDGZPVSA-N 471.513 5.215 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCOC(C)(C)C)c1 746694111 PMIFWBLAKRTNIX-FQEVSTJZSA-N 493.551 5.188 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cscn2)C1=O)Nc1cccc2ccccc12 747601256 FDUWUPIUUHDXSM-QFIPXVFZSA-N 490.585 5.596 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cs1 747615008 QXJJRIDVXHCOJG-KPKJPENVSA-N 498.395 5.920 30 20 JKED CC(C)c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1-c1ccccc1Cl 748480979 BBIXPLYXDAJBPH-OAHLLOKOSA-N 489.935 5.320 30 20 JKED COc1ccc(/C=C2/N=C(SCCCCC#N)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 775393915 BUYYYOKGJXDQOY-XSFVSMFZSA-N 455.967 5.528 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)c4ccncc4)c3C#N)C(C)(C)C2)o1 797608815 MREGMGPXUKOHQT-ALCCZGGFSA-N 473.554 5.490 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(F)(F)F)cc1 799219475 RNZRGHAXRBTVIH-FQEVSTJZSA-N 471.504 5.671 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C)c(F)c1 799222544 BCYKJSLOKJDBQY-SFHVURJKSA-N 477.533 5.042 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N([C@H](C)CCc2ccco2)C1=O 837299124 BYBYUQGGUIGNKT-DVECYGJZSA-N 491.613 5.578 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 837446812 NOWIBZUTKCPPJW-JPYJTQIMSA-N 476.577 5.559 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCc3cccs3)C2=O)c1 837746421 AJCMBGUKDBZUMQ-NRFANRHFSA-N 483.590 5.099 30 20 JKED CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccccc1 839404216 XAJLERORFVTVHM-AREMUKBSSA-N 450.542 5.354 30 20 JKED CC(=NOCC(=O)Nc1c(Br)cc(C)cc1Br)c1cc2ccccc2o1 852749298 KILYSPHQJSHKNG-UHFFFAOYSA-N 480.156 5.646 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2C2CCCC2)c1 881394260 MSRRPVWLIDWQAZ-UHFFFAOYSA-N 485.009 5.285 30 20 JKED COc1cc(/C=C/C(=O)Oc2c(Cl)cc(C#N)cc2OC)ccc1OCc1c(C)noc1C 896774187 GIFLXWWAUNUDDK-SOFGYWHQSA-N 468.893 5.032 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(-c2nc([C@@H]3C[C@H]3C)no2)ccc1Cl 904819798 SKYZCDYGCBWJLM-UKRRQHHQSA-N 464.374 5.548 30 20 JKED Cc1oc(-c2cccs2)nc1CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102831 INZKUJMVPZMEFR-CQSZACIVSA-N 474.394 6.561 30 20 JKED N#C[C@H](C(=O)CSc1ccc2c(c1)OCCO2)c1nc2cc(C(F)(F)F)ccc2s1 915103940 IHDKEYJDCRESEP-CYBMUJFWSA-N 450.463 5.055 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(C2CCCC2)C1=O 916210145 BMEZQFOANOTUEI-JOCHJYFZSA-N 451.592 5.215 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(OC)c2)SC1=Nc1ccc(Cl)cc1Cl 916214077 JJBXUQMCZQMDTE-LJQANCHMSA-N 494.400 5.157 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CC3)C2=O)c([N+](=O)[O-])c1 916217439 NDSLMQKBSBKZAV-SFHVURJKSA-N 492.479 5.045 30 20 JKED CCCCc1ccc(NC(=S)NN=Cc2csc(N(C(C)=O)c3ccccc3)n2)cc1 916278622 YWWBKZVDMJKKDN-UHFFFAOYSA-N 451.621 5.491 30 20 JKED N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916886103 DLHOCNZGRGKWAU-ZDUSSCGKSA-N 461.342 5.748 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 916910126 FFDGNBZOZYHKST-KRWDZBQOSA-N 497.780 5.128 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916929888 DHTFBZJZUKQCHE-LQYUOIDQSA-N 456.342 5.094 30 20 JKED COc1ccc(Cl)cc1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)CC1=O 916974218 GVQLASMDQOQTSS-SJLPKXTDSA-N 465.962 5.010 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccc(Cl)cc1 917044358 STTBYFMDACZGPV-HZPDHXFCSA-N 465.884 5.412 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 917119447 GFEMIRFGSGJNMU-QRWLVFNGSA-N 452.341 5.406 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3c(Cl)cc(Cl)cc3C2=O)cs1 917560564 RAXAMSALEOGOMT-WUXMJOGZSA-N 479.772 6.447 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1F 917696881 SZEIXDRNPONVAI-JOCHJYFZSA-N 483.540 5.115 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)CC2)c(C)c1 918441328 ZKEOUVMJEPXUFC-MHZLTWQESA-N 479.580 5.019 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 920109430 FZGHOAODPXJJHB-HRAATJIYSA-N 489.984 6.117 30 20 JKED Cc1cccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C 920143372 ZFCNAHDYSJDFDA-FQEVSTJZSA-N 469.595 5.453 30 20 JKED FC(F)(F)c1ccc(-c2ccc(C=Nn3c(S)nnc3[C@@H]3COc4ccccc4O3)o2)cc1 920365444 BMEOWXGULXPORN-IBGZPJMESA-N 472.448 5.240 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 920868579 KWMINDIBQMZUBA-KUHUBIRLSA-N 494.444 5.545 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cc(Br)c3c(c2)OCCCO3)cc1 921255879 GALIKCWHGWFMDV-UHFFFAOYSA-N 479.787 5.030 30 20 JKED C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](OCC(C)C)C1)c1ccccc1 1507853248 BMORCNUFLDSQRP-FQEVSTJZSA-N 470.415 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn(C(C)C)cc1C(F)(F)F)C2 1779510548 NZTDFSXZLIIUBV-PXDATVDWSA-N 497.602 5.208 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCCCCC(C)(C)C)C2)c1 1781932778 ZIQHIOVMVMNIOF-OMRWSRCMSA-N 481.681 5.438 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccoc4C(F)(F)F)CCC3)cc2)cc1 1785796452 HCMVKOWUJBLOQQ-UHFFFAOYSA-N 481.474 5.551 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cc[nH]n5)n5ccccc45)CCC3)cc2)C1 1785807798 QJYKRIJTZIEMJQ-UHFFFAOYSA-N 465.557 5.043 30 20 JKED COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)c1 1787889071 GKFFWUHIQHHRDO-UHFFFAOYSA-N 492.576 5.094 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5Cl)CCC4)cc3)cc2n1 1788322872 ULNSKJFXAAGLIU-UHFFFAOYSA-N 484.943 5.723 30 20 JKED Cc1c(Br)ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)c[nH]4)CCC3)cc2)c1F 1788885013 SYQLMEVEHDSHEE-UHFFFAOYSA-N 495.352 5.158 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CCC2)cc1 1789577765 FHBZZFPFTHDKPJ-OOYKJYISSA-N 461.606 5.439 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4c(F)cccc4F)cc3)CCC2)cc1 1790324022 CGXBLXARMLWNAT-UHFFFAOYSA-N 459.496 5.021 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)CCC2)cc1 1790566065 OWBXCCOTVRJJLH-QGZVFWFLSA-N 493.995 5.279 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)c1 1790763878 MOKNWESYDRNFGC-UHFFFAOYSA-N 464.500 5.307 30 20 JKED CCc1nn(C)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)c1Cl 1790763983 JSMGIUNBBSJXBF-UHFFFAOYSA-N 496.398 5.222 30 20 JKED Cc1ccccc1NCC(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790766942 HZQXNLVHKNQHPQ-UHFFFAOYSA-N 472.976 5.380 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ncccc5[nH]4)cc3)CCC2)c1 1790842604 AVCOEGBBGMOSEO-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1791563752 UBSSQPNZUDAFKO-SXWKCWPCSA-N 483.653 5.416 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3sc(C)nc3C)CCC2)cc1)c1ccc(O)cc1 1791642019 SJJLZEYNVJPLAS-NRFANRHFSA-N 487.625 5.410 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCS4)cc3)CCC2)cc(C(F)(F)F)c1 1792014029 LZDWJSFHCDJZIX-FQEVSTJZSA-N 473.520 5.220 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)NNc4ccccc4)CCC3)cc2)c1 1792122238 MNECWKYWAOUVAL-NHCUHLMSSA-N 481.600 5.067 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5[nH]ncc45)CCC3)cc2)c1 1792123486 DGDXPYHJMAAIRO-GOSISDBHSA-N 463.541 5.251 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nc(Br)sc3c1)C2 1792573263 GUUAHPVJLVEZEG-BJWYYQGGSA-N 490.467 5.303 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Br)ccc1Cl)C2 1798338155 UXBJXCRXICMHTJ-IYWMVGAKSA-N 479.846 5.052 30 20 JKED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1799279703 AZZFNIMCBKREED-MVWVFHAYSA-N 490.566 5.043 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2CSc2ccccc2)cc1 1800665082 MBXBPRFWJMCUGQ-QEIWAGNOSA-N 481.621 5.416 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c[nH]c3c(Cl)cccc23)c1 1801108073 XIOBNVYQDJNBKR-QLIIJSOBSA-N 460.965 5.014 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1803084154 OFFJJIZFSBHBHZ-SHQCIBLASA-N 468.601 5.026 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1803087506 CDKRRSQEVVAVMT-DZWGLGNASA-N 478.036 5.313 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)CCCC(F)(F)F)[C@@H]1c1cccnc1)c1ccccc1 1804050165 UGMCEXUDUNLFKC-CUYJMHBOSA-N 485.550 5.017 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1804180084 ZLFWFVYAZUITTO-QVKFZJNVSA-N 498.863 5.281 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)CC2)C1 1804862373 SWCZKDWXHVWUPJ-UHFFFAOYSA-N 490.570 5.419 30 20 JKED Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)C2)cc1C 1806637760 YHOMTHBUZJZTOJ-HSZRJFAPSA-N 457.618 5.018 30 20 JKED C=CCCc1ccc(C(=O)N2CCCC3(CCN(C(=O)c4oc5ccccc5c4C)CC3)C2)c(O)n1 1807801268 FCZCFYRXAYKVMU-UHFFFAOYSA-N 487.600 5.119 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@@H]1c1cccnc1 1808702558 CJLZRVDLFCPARU-NQIIRXRSSA-N 477.527 5.314 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1809842874 RSCXTWNCIYKMJW-NLFFAJNJSA-N 477.605 5.523 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810077070 NTSKMMHMSGCUBC-FHAGJXEFSA-N 477.008 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1810494102 CSOPZXVAFKWKCE-JPYJTQIMSA-N 497.064 5.657 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c(Cl)c1 1810685551 KVPIUUVEWFEMSQ-JPYJTQIMSA-N 497.357 5.033 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1 1811366994 JWTHOEWXTWCFAH-BDYUSTAISA-N 474.649 5.464 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811734848 UJZULZGGDIIOEB-YADARESESA-N 493.394 5.202 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@H]1c1cccnc1 1812589689 BNBNYZPPBGAJTI-JNMBUGSCSA-N 482.584 5.355 30 20 JKED C=C(C(=O)NC[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1)C(F)(F)F 1812677599 GURAYSCKPGMOAD-HNAYVOBHSA-N 493.938 5.388 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)[nH]n1 1814440368 RLRJVYPHSGASJB-NRFANRHFSA-N 461.566 5.363 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cc4ccccc4n3C)n[nH]2)c1 1814726397 NYPBCFTWMSJAPH-BCHFMIIMSA-N 494.599 5.077 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCN(c3ccccc3)CC2)n[nH]1 1814815060 IVBTXGZABKDAJT-ZCYQVOJMSA-N 475.637 5.087 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[nH]n1 1815657948 OFPYXUDPEFRYST-LJQANCHMSA-N 492.567 5.072 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815683138 PMGFYKAAUMJANW-GGAORHGYSA-N 485.028 5.683 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815683815 FCXXIHPZLLBCEM-HSZRJFAPSA-N 485.028 5.683 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817773724 QUOFLLDBAUJXNQ-GAJHUEQPSA-N 485.613 5.249 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)noc2-c2ccccc2)n[nH]1 1818142241 GQUVESUYUXURCY-OAQYLSRUSA-N 475.593 5.671 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccnc4ccccc34)n[nH]2)c1 1818445520 YUWDPGXMVSWUOK-AVRWGWEMSA-N 478.556 5.205 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cccnc4s3)n[nH]2)c1 1818575157 IMBKNEGZWGFKSD-HRAATJIYSA-N 484.585 5.266 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818605585 OSDAISZDCUNBLG-HNNXBMFYSA-N 455.971 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncc(OC(F)F)cc2Cl)[nH]n1 1819303078 BVUIYKFVBZVQDQ-CRAIPNDOSA-N 493.942 5.134 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[nH]n1 1819554549 HPGQFEBHXFHBLW-XJCKULRNSA-N 489.620 5.598 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)[nH]n1 1819555831 DRGPTCPAFFROLS-JOCHJYFZSA-N 477.609 5.057 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)nc2Cl)n[nH]1 1819679087 GBQDGTZROJHLBJ-PBHICJAKSA-N 462.381 5.186 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]n2)c1Cl 1820220095 KIDUJOIOXCQBKE-LJQANCHMSA-N 468.344 5.208 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)[nH]n2)c1 1820484597 DKMPUNBAJPLGDN-GIWBLDEGSA-N 473.964 5.044 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)[nH]n2)c1 1820485592 QQFDTPDYBBQKHH-QFIPXVFZSA-N 484.947 5.103 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1 1820910308 GDGBSRXEYLYQPA-AGOBFMAKSA-N 499.656 5.008 30 20 JKED CC(C)[C@@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821173016 DVXIPLOQHWSISQ-IVZQSRNASA-N 494.642 5.065 30 20 JKED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1)c1ccccc1 1821310720 MHSDRMOJFCELET-ZHRRBRCNSA-N 495.505 5.410 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3CCc4cccc(Cl)c43)n[nH]2)cc1 1821775599 DRATXYYWDQENCW-OFNKIYASSA-N 487.991 5.165 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)[nH]n1 1821925916 CIFMXOVRGQHJAO-QTWZMDIBSA-N 485.426 5.180 30 20 JKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)CC1 1822226691 UDSASLQBWYLXIT-NTZGEOQQSA-N 468.623 5.119 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)C1 1823701398 JFEYGIOJQIKOGY-HXUWFJFHSA-N 453.385 5.332 30 20 JKED O=C(Cc1c[nH]c2ccccc12)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824057741 UXXZPFCAFPEIGD-MHZLTWQESA-N 488.031 5.035 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1824500392 CPCLGLPJJHMFFA-JOCHJYFZSA-N 484.534 5.061 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)[nH]c2c(Cl)cccc12 1824540079 SUDFCMLVDKJALS-REWPJTCUSA-N 476.086 5.317 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)CCCCC)CC1 1824761393 UIPGZFQLYXNCGT-NHTMILBNSA-N 491.717 5.292 30 20 JKED O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824874695 ZGPRUUHTRQGOQO-LJQANCHMSA-N 496.467 5.810 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2OCC2CC2)CC1 1825579305 LGJDSMXUXZXBEJ-XMMPIXPASA-N 467.654 5.096 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CC1 1826682386 QEFIVTUBVJDUFB-VWLOTQADSA-N 480.612 5.143 30 20 JKED CC(C)CN(CC(C)C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC#N)CC1)c1ccccc1 1826693162 KZXKDFIYCZLWJV-LMSSTIIKSA-N 494.724 5.265 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1826693756 MIFMEOISPNCYII-AREMUKBSSA-N 475.658 5.516 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827684617 KOIFWVXGQZTGFA-BURLSREDSA-N 458.668 5.323 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828129897 KARJSDCHITVZNL-NRFANRHFSA-N 453.652 5.522 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc3ccccc23)CC1 1828137321 YEMZIRLAMVGFDW-DEOSSOPVSA-N 463.622 5.166 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)CC2)c(Cl)c1 1828316767 RLZVWMHYBWGCLC-DEOSSOPVSA-N 474.992 5.240 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)c1 1828458197 QOVBWTZKNXSAOF-IIWBRFRESA-N 491.676 5.407 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=Cc3ccccc3NC(=O)C2)CC1 1829069216 QUFIVZFVOZUKBH-VWLOTQADSA-N 477.649 5.024 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829703487 BRTMOJLLYYXAQO-QHCPKHFHSA-N 454.998 5.513 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)ON=C(C)C)CC1)c1ccccc1 1830412872 YBKOJEDOWVVJIA-JPMIEVGJSA-N 469.670 5.237 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 1830631331 AOEUMNCKVILJOO-HSZRJFAPSA-N 467.972 5.092 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)c1 1830770692 GFMTUPJZAPKTPJ-LJAQVGFWSA-N 492.623 5.476 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1830770788 HCLIEQPKZHYIIL-SANMLTNESA-N 472.564 5.034 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3nc4ccccc4o3)CC2)c1 1830851731 DSSDLSZCOUJBFQ-DVECYGJZSA-N 470.573 5.002 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1831845012 NNWWZJOMJRPDAS-HTAPYJJXSA-N 450.604 5.138 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1831848171 RRWWOALTBSWFNN-SJCJKPOMSA-N 463.858 5.198 30 20 JKED C/C(=C\c1cccnc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832633740 LTSFOVOROICZGM-WJRZVISNSA-N 470.617 5.045 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633843 FKJWDCDYJMNKAT-DVECYGJZSA-N 479.024 5.218 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CCC1 1832787277 SWFQASNHGVIOTE-SANMLTNESA-N 455.602 5.281 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)CC2)CC1 1833080228 XHGCVWCTTLDPCF-UHFFFAOYSA-N 498.470 5.310 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C)C2 1844203792 LOXMBGKTFVEWCF-NRFANRHFSA-N 481.637 5.236 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)C1 1845642911 CODULRXELSPCFV-KRWDZBQOSA-N 490.829 5.169 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 9623882 WGDWMASCECOJQD-UHFFFAOYSA-N 465.581 5.317 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(Cc2ccccc2)cc1 10118240 JYGPUCUKDYCSTN-UHFFFAOYSA-O 495.668 6.550 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1c(C)cc(C)cc1Cl 10178754 QAIPVFBUNHZKBI-UHFFFAOYSA-O 455.047 5.813 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11262356 MVCGILFKZIKFBS-UHFFFAOYSA-O 472.461 7.018 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cs1)c1ccc(F)cc1F 15188150 RPEPTWYTEGRHLO-QPJJXVBHSA-N 453.297 6.309 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2c(C)cc(C)cc2Cl)cc1 15248403 WISIOPAAXNRTHA-UHFFFAOYSA-O 468.042 6.256 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1Cl 15589049 QXLAKYYPQCKQSQ-UHFFFAOYSA-N 479.389 5.186 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(Br)cc1 17703848 FMJYEKHXMJHQAF-HNNXBMFYSA-N 482.407 6.105 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@H]1COc2ccccc2O1 21089135 PHCVBNCQZRXXRC-GOSISDBHSA-N 477.373 5.014 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)nnc1-c1ccccc1 21280643 ICSOREUWRSAAKC-UHFFFAOYSA-N 471.489 5.083 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1CSc1nc2ccccc2o1 21375307 MWFMAIMMGCINBD-UHFFFAOYSA-N 489.578 5.531 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1nc(-c2cccc(C(F)(F)F)c2)no1 21437934 HYDARGRXSDQLAU-UHFFFAOYSA-N 491.470 5.543 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc3c(c2)CCCC3)cc1 22729392 AYWWFVPMCXLKFM-UHFFFAOYSA-O 459.635 5.919 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(C(C)(C)C)cc1 22732029 WXXQHFFBJDFNDV-UHFFFAOYSA-O 453.578 6.163 30 20 JKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccccc2N/C=C/C(=O)C(F)(F)F)c(Cl)c1 23369110 NWSMBJKFFRLFOA-VFNNOXKTSA-N 468.859 5.198 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nc2sc3c(c2c1=O)CCC3 23405434 QCWHJGMRHOSPGA-CABCVRRESA-N 479.627 5.237 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c1 28780377 CYWDWBNTEBIVOK-UHFFFAOYSA-O 486.488 7.246 30 20 JKED COc1ccc(C)cc1-c1csc(/N=C(\O)c2ccc(=O)n(Cc3ccccc3Cl)c2)n1 29353819 VDBWGKVAEMFNMX-UHFFFAOYSA-N 465.962 5.627 30 20 JKED C=CCn1c(SCc2ccc(Cl)c3cccnc23)nnc1[C@H]1COc2ccccc2O1 31649666 RYJPLRMUGSNAAB-HXUWFJFHSA-N 450.951 5.471 30 20 JKED CC(=O)Nc1ccc(Br)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 72070441 UALSCTQWQFNGOG-UHFFFAOYSA-N 464.319 5.110 30 20 JKED Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)sc2nc(C(F)(F)F)ccc12 107568700 KKILRCGWAFWKPM-UHFFFAOYSA-N 459.371 5.689 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 303301830 CWHUPWQQOXHTHL-OAHLLOKOSA-N 471.376 6.268 30 20 JKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)Nc1cccc(COCC(F)(F)C(F)F)c1 409829571 BGIBNRKIGKCGQQ-UHFFFAOYSA-N 494.432 6.303 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c1 498617098 BMURIOOSQJKZGD-UHFFFAOYSA-N 460.383 5.592 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 501072368 XBQWQEUKQZJROH-UHFFFAOYSA-N 481.386 5.302 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 502679103 KRHFEMDTCSJPHB-VWLOTQADSA-N 497.986 5.750 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 503351232 XXEABKHCOWWFFH-UHFFFAOYSA-N 470.238 5.116 30 20 JKED N#C[C@@H](C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1nc(-c2ccc(Cl)cc2)cs1 503584231 CQKGQKBIWPGFQF-HNNXBMFYSA-N 465.943 5.806 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 504912948 ADHZTYLIVIUFBQ-AWEZNQCLSA-N 472.332 5.040 30 20 JKED CCOc1ccc(N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2nc3ccccc3s2)cc1 505863030 RMCGINWGXOIKQD-UHFFFAOYSA-N 496.596 5.524 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 512860505 ISEFVQPBKYGXRR-UHFFFAOYSA-N 493.976 5.241 30 20 JKED CCCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1[C@@H](CC)N(C)C 513347643 LWTORQXQEUQXJH-VQIMIIECSA-N 488.727 5.412 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc12 513671186 GRAQSOSZSMIFNN-SFHVURJKSA-N 459.962 5.485 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccc(OC)cc1 514518584 JDMNLXOOCNJBGM-QFIPXVFZSA-N 464.591 5.098 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4ccccc4Cl)on3)s2)cc1 514784133 ZYQIAOZGVSOWSV-UHFFFAOYSA-N 453.936 5.263 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1 515666729 KKAZPPBGOPXUQY-UHFFFAOYSA-N 453.542 5.196 30 20 JKED C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(OCc2cccnc2)cc1 516614579 IAWKTCHGWZYUSO-OAQYLSRUSA-N 463.537 5.602 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1Cl 518115545 IYYRTTUFRZRJMB-ISKFKSNPSA-N 461.924 5.437 30 20 JKED Cn1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(-c2ccccc2Cl)n1 518176147 AOXVPHGLORAAJC-UHFFFAOYSA-N 477.351 6.097 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3SCCC#N)CC2)c2ccccc12 518648441 HCDJEZDTDIGVFC-UHFFFAOYSA-N 473.598 5.345 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 518754706 YBXZVXNBXPIACC-AUUYWEPGSA-N 450.391 5.993 30 20 JKED CCn1c(SCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)nnc1-c1ccc(Cl)cc1 519486518 MYZHYXMLCHRCBW-INIZCTEOSA-N 480.808 5.398 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)COc1ccc(F)cc1F 524440319 HFEXPMYQDCBVIW-QGZVFWFLSA-N 451.473 5.313 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 524440396 LLTAUQLPHORHMW-UHFFFAOYSA-N 490.003 5.969 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nc2ccccc2[nH]1 524675509 HJJBTUAGTNRDPY-IBGZPJMESA-N 489.523 5.039 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c([N+](=O)[O-])cc1OC(F)F 585704446 FGRAYIBNYCZFJO-NSHDSACASA-N 479.505 5.541 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC(Cc2ccc(F)cc2)CC1 586792085 FWGLJADSQINZAM-HZPDHXFCSA-N 454.430 5.699 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cccc(C#N)c4)o3)c3ccccc3n2)cc1 603561040 KWVNBDIGKPYBAL-UHFFFAOYSA-N 477.549 5.863 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 603637781 YKPPULUEEJHBGD-UHFFFAOYSA-N 498.004 5.073 30 20 JKED COc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])cc1OC 603758759 GDNPDCTYVYFXLM-GOSISDBHSA-N 451.866 5.173 30 20 JKED CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 603838344 HEJONFIMNWCWRK-AWEZNQCLSA-N 462.314 5.914 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2Cl)cc1 604027260 RRGYRHVZXFOKQE-UHFFFAOYSA-N 492.875 5.239 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1Cl 604137494 IOIXFUQITYXEPW-FQEVSTJZSA-N 487.865 5.149 30 20 JKED CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604138723 FWZWWJSDCZPVNM-RUZDIDTESA-N 456.546 5.150 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 608804011 OUSQKNHANAMWBX-GJZGRUSLSA-N 460.374 5.370 30 20 JKED N#CCC[C@H](C#N)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F 608853494 LBUBYESPINVIRI-CYBMUJFWSA-N 496.436 5.959 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1Cl 609164871 YZANKTOTZPOWPO-DEOSSOPVSA-N 472.976 5.878 30 20 JKED Cc1nc(CCC(=O)Nc2cc(C#N)cn2C(C)(C)C)oc1-c1ccc(Br)cc1 609359334 OIVLOZYUGGRFHX-UHFFFAOYSA-N 455.356 5.412 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1ccc(Cl)cc1 609370033 XHDCEHKIDNBYEN-MRXNPFEDSA-N 486.066 6.134 30 20 JKED C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2[N+](=O)[O-])C1 609377756 KVQMDBGIXMXSIF-OKZBNKHCSA-N 452.580 5.581 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 609379023 HZYKJOWSTVWJRF-UHFFFAOYSA-N 477.489 5.231 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1CC(F)(F)F 613346275 GKOLHWMQDMZHOP-OAHLLOKOSA-N 472.319 6.588 30 20 JKED CCOc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 620289301 NJSMDOJUHQHBRD-UWVGGRQHSA-N 466.344 6.135 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(CC[C@H](C)OC)C1=O 726399721 NREHBEZRRBCJJM-MBSDFSHPSA-N 483.634 5.204 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1Cl 726406273 IZULQGCAGVHRGY-HXUWFJFHSA-N 481.002 5.434 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2sccc2C)cc1F 726410664 IBEQQTAXOBPJKR-FQEVSTJZSA-N 483.590 5.365 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3cccs3)C2=O)c1 726420235 HWRSZBIQTIODPJ-PDNRQDKUSA-N 485.656 5.408 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1)c1cccs1 726420674 MEOGRXZFUDPDBY-KAVHPSCTSA-N 494.598 5.246 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCOC(C)(C)C)C2=O)cc1 726421021 NQTMSERCZILTAC-OJXBDIKWSA-N 473.664 5.261 30 20 JKED COc1cccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)c1 726571340 UEKBJLAFEDBHKJ-UHFFFAOYSA-O 477.009 5.710 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@@H](C)c2cccs2)c1 726576365 CUOVAJMGXIEZBI-SFHVURJKSA-O 480.679 5.703 30 20 JKED Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4ncccc4OCCCC#N)cc3)ccc12 726958284 UUNFCYIJHGOBRU-UHFFFAOYSA-N 469.497 5.010 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2cccc(Br)c2)no1 727479539 BUGDXPBNUDUALU-UHFFFAOYSA-N 479.128 5.111 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1c(F)cccc1F 727627418 FWHQEHZYKNFVOW-BLLLJJGKSA-N 467.419 5.037 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c(=O)oc2c1 728006505 WTIQATDPCZZELR-UHFFFAOYSA-N 468.509 5.132 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 728062538 MGEIPSLUAQCLIP-LJQANCHMSA-N 457.530 5.046 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2Cl)c1 728121168 BISQWGDUFJVQOI-UHFFFAOYSA-N 494.954 5.088 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)cc2Cl)c1 728121572 KGTNQGRZXPRCEG-UHFFFAOYSA-N 488.975 5.348 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(CCCCC#N)C2=O)cc1 728778145 QLQFZWAERYETCZ-HSZRJFAPSA-N 478.618 5.356 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)cc1C 729142758 KYMFOLZIZGGMLV-OAQYLSRUSA-N 489.626 5.101 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C1CCC1 730461241 AAXPYLRNFHDDHU-QHCPKHFHSA-N 454.555 5.224 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 730689764 LCRAKIPJECIDRL-HIFRSBDPSA-N 479.048 5.490 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3OCc3ccccc3)n2)cc1 730923177 ZMWJNFJTQWTBGF-JOCHJYFZSA-N 470.550 5.653 30 20 JKED Cc1cccc(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1NC(=O)c1ccoc1C 731072966 DFXTVRFKETUNFV-KRWDZBQOSA-N 491.569 5.339 30 20 JKED CN(C)C(=O)COc1ccc(C(=O)/C=C\c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 731157666 YTEMAMBVIKPRSC-QINSGFPZSA-N 465.981 5.322 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cl)cc2)C1=O)Nc1cccc(O)c1 731305415 BYWSHNNRKXNICN-NRFANRHFSA-N 465.962 5.206 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCc2cccs2)C1=O)Nc1cccc(O)c1 731305996 RAUXTBMXGZRDOU-HXUWFJFHSA-N 486.018 5.310 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2F)cc1 731309779 WPCIYKWBJMIXLP-QHCPKHFHSA-N 493.560 5.091 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)cc1C 731310757 PFVKNOSJYDYMOA-DEOSSOPVSA-N 484.581 5.041 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)c1 743526150 NWYLFLZFJLZZKM-INIZCTEOSA-N 473.879 5.310 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 747399731 ZGQMNIHQJHXCFK-UHFFFAOYSA-N 469.497 5.060 30 20 JKED COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1SCC#N 768411550 JXEFEQCTHAUAGR-UHFFFAOYSA-N 487.990 5.017 30 20 JKED FC(F)(F)Oc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1 794772256 MHTBIJAVAPQXOH-UHFFFAOYSA-N 463.268 5.233 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 812016400 FMQJKCZJGMBOER-UHFFFAOYSA-N 495.315 5.033 30 20 JKED CN(CCC#N)c1ccc(/C=C2/SC(=S)N(c3ccc(SC(F)F)cc3)C2=O)cc1 814282876 GWJBAQYOAJKGLR-QGOAFFKASA-N 461.584 5.757 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837838324 VEPRTANUXMTWAR-VGSWGCGISA-N 462.550 5.251 30 20 JKED COc1cccc(CC(=O)N2CCc3ccc(NCc4cc(C#N)ccc4Br)cc32)c1 864010024 HPTIHKQSJQZVDH-UHFFFAOYSA-N 476.374 5.073 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 900058324 XZBDDONJCWPMRR-ZRDIBKRKSA-N 468.987 5.879 30 20 JKED C=CCn1c(SCC(=O)OCc2cc(F)cc3cccnc23)nnc1-c1ccc(Cl)cc1 914882682 UXDVADMUONEENO-UHFFFAOYSA-N 468.941 5.307 30 20 JKED CCCCc1nnc(S)n1N=Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 915943607 GLSMDRJTEODLOI-UHFFFAOYSA-N 475.412 5.142 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)cc(Br)c1OC 916126902 PZNXIZSFEUUPDL-FNORWQNLSA-N 457.267 5.363 30 20 JKED COc1cc(/C=C/C(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 916155570 KWEPSSQBLRJVTL-WEVVVXLNSA-N 455.869 5.107 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O 916211684 FJEWNEQSAKGPCW-HXUWFJFHSA-N 469.950 5.102 30 20 JKED N#C[C@@H](C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1nc(O)c2c3c(sc2n1)CCCC3 916846917 HUUBPRGTEXYBMV-UNMCSNQZSA-N 493.592 5.460 30 20 JKED CC(C)Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847853 XBTVVICXPXBDES-LJQANCHMSA-N 461.587 5.314 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 916885424 WRASOLXWJBMCDM-FQEVSTJZSA-N 496.748 5.316 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1 916911279 DNZDCBZNNHRVFF-HXUWFJFHSA-N 476.989 5.632 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c2cnn(C(C)C)c2n1 916916256 QRZDOLPYWLLCCA-DEOSSOPVSA-N 487.563 6.102 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916946323 QMPIOVKAMFWUHR-QGZVFWFLSA-N 462.333 5.449 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 916954855 KZBYOQJOFINDOZ-HRAATJIYSA-N 496.036 5.572 30 20 JKED CCCCCn1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)c2ccccc2c1=O 916956006 WSLQUXBCOCOVTB-MBSDFSHPSA-N 458.562 5.061 30 20 JKED N#C[C@@H](C(=O)CCC(=O)N1CC(=O)Nc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997588 XEVCJDGVXSVWIT-HNNXBMFYSA-N 499.379 5.059 30 20 JKED Cc1ccccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043546 MVCHWHOXISCAEW-OAHLLOKOSA-N 472.517 5.778 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c1=S 917461606 SMDIHWLZACURIM-UHFFFAOYSA-N 468.573 5.406 30 20 JKED CCCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1OC 917560567 RBUOVIKDQILAMX-XFXZXTDPSA-N 468.550 6.050 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2cccc(O)c2)N=C1C 917610018 JNUQWDKKFPBCDB-UHFFFAOYSA-O 458.563 5.151 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 917803084 FLBIIUBAZKYHIR-MHZLTWQESA-N 451.526 5.234 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(N(C)c3ccccc3)nc2)n(C2CCCC2)c1C 919209804 BUQDCXRWLMYLJQ-UHFFFAOYSA-N 471.561 5.050 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc4cc(Br)ccc4c3)n2)cc1 920140333 DPHQNMMNRYHUMP-OAQYLSRUSA-N 488.366 5.853 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2c(C)cccc2C)no1 920351588 BVNWPEJZTCEFME-OAQYLSRUSA-N 497.020 5.722 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2c(C)noc2C)cc1 920356121 NZMBDCZBGDZDEV-OAQYLSRUSA-N 498.992 5.114 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920357657 VSWUYASEYWDARD-OAQYLSRUSA-N 498.992 5.196 30 20 JKED C=CCOC(=O)c1sc2[nH]c(-c3ccnc(Oc4ccccc4Cl)c3)nc(=O)c2c1C 920415364 PAKTWERCUDWDKG-UHFFFAOYSA-N 453.907 5.144 30 20 JKED N#C[C@H](C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nc(-c2c(F)cccc2F)cs1 920805997 HQAIZVFGCRGFHU-HRCADAONSA-N 477.561 6.624 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 921255267 YJUKUMIKHIQPKE-HXUWFJFHSA-N 477.989 5.256 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc3cccc(Cl)c3c1)C2 1779512259 RLQVYSHFMFHKRZ-YIXXDRMTSA-N 484.040 5.008 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(Cl)cccc2Cl)C1 1780294371 LMYYMFPASGGBGR-NTKDMRAZSA-N 467.437 5.113 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)C1 1780838937 YKCACZUSCFBGPE-CLIKSALWSA-N 496.598 5.224 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC4(CC4)CN3C(=O)OC(C)(C)C)cc2)CCC1 1786175015 RJRDZDMNXFJKLX-UGKGYDQZSA-N 481.637 5.122 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)CCC)c(C)c3)CCC2)cc1 1786371943 QSWYXUCUDYFWPT-HXUWFJFHSA-N 477.605 5.072 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3=CCCS3)cc2)CCC1 1786413682 MAFRJIXTGQYLPQ-FQEVSTJZSA-N 485.650 5.001 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C(C)(C)C(C)(F)F)cc2)CCC1 1786452376 MTWQGOKTEYXLOY-IBGZPJMESA-N 493.595 5.271 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccc(C(F)(F)F)c4)cc3)CCC2)c1 1786598854 BLTUGBUMENQLGH-BJMVGYQFSA-N 478.474 5.366 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CCC1 1786696738 IWAMOUFNGWHDQK-QHCPKHFHSA-N 485.024 5.206 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3csnc3C)cc2)CCC1 1787192569 CFDSRNHUIRHHPV-OAQYLSRUSA-N 498.649 5.059 30 20 JKED Cc1ccccc1NCC(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1788112446 STJOSGVXWFLZMQ-UHFFFAOYSA-N 496.611 5.514 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccsc4)CCC3)cc2)c(C(F)(F)F)n1 1788357304 FPODICTVNVLRKF-UHFFFAOYSA-N 484.503 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789201379 WWBSPYOZANMHCX-JOCHJYFZSA-N 481.637 5.146 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393072 JVVDOXCCBPYLLP-UHFFFAOYSA-N 465.981 5.552 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CCC2)cc1 1789448632 FHTQQKZHBLQLAD-SIKLNZKXSA-N 469.626 5.050 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)sc1C 1789984521 PQONAUUBCKDUHO-UHFFFAOYSA-N 464.978 5.347 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC)c(Cl)c4)CCC3)cc2)c1 1790076843 RXUOHPAPZNMHDB-UHFFFAOYSA-N 489.959 5.290 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c4ccccc4n4ccsc34)CCC2)cc1 1790566130 SEPXKSYKSCBWGI-GOSISDBHSA-N 488.613 5.703 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5cccc(F)c45)cc3)CCC2)c1 1790968891 KAQBUMWPKOFMRZ-KRWDZBQOSA-N 481.531 5.391 30 20 JKED COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)C1 1791564343 ZGVNIBMJYJMYKH-XKCSPQBFSA-N 487.600 5.041 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(Br)cnc34)CCC2)cc1 1791578622 IRNWWCALPXWBQI-AWEZNQCLSA-N 484.419 5.063 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Br)ccc4c3)CCC2)cc1 1791578653 JMFMRRQZEXFPJW-CQSZACIVSA-N 484.419 5.063 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)CCCCCCNC(=O)OC(C)(C)C)CCC2)cc1 1791589762 BOKOYJPQLVDQNC-UHFFFAOYSA-N 457.615 5.172 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)sc1C 1792168445 BDTAWPNWVCXYFA-UHFFFAOYSA-N 488.613 5.480 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ncccc34)cc2)CCC1 1792292067 KSMGETWMNHLOJP-HSZRJFAPSA-N 456.590 5.398 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)cc2)CCC1 1792372960 QXMWZOIQQFMJJH-WWNPGLIZSA-N 499.627 5.236 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1798334904 PWWOISAXQCSLQG-BNFFBFCJSA-N 495.664 5.544 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)c(Br)cc1Cl)C2 1798339710 AESHHOSUZKIDDS-FZKCQIBNSA-N 483.809 5.262 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C2 1798339968 IROOGJLBIANCBY-MHORFTMASA-N 454.920 5.379 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)[C@H]2c2cccnc2)C1 1803224894 MZTMDXVRRYWAAF-IEZKXTBUSA-N 466.025 5.147 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1 1803899208 ATKSCQKSCHGOKZ-QDMKHBRRSA-N 497.209 5.737 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3N3CCCCC3)CC2)C1 1805457786 SWNMQVUKSVTDBD-UHFFFAOYSA-N 463.666 5.290 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1808703727 KAUNEXCXFWVACD-DENIHFKCSA-N 475.511 5.090 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1808877342 VCOAFVTUOJWFJU-NOZRDPDXSA-N 453.671 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1810181202 FGMQOFQGIKMXBC-VRUMLPLGSA-N 489.019 5.371 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccnc1)c1ccccc1 1810444780 UIDHBQTZTISHBC-NSVAZKTRSA-N 483.587 5.046 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811530424 AVHWPOZJDKYRIW-RBJSKKJNSA-N 485.653 5.296 30 20 JKED Cc1cc(C)cc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1811881882 SEFMOAODZCQYRG-SQHAQQRYSA-N 475.709 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)N(CC)CC)[C@H]1c1cccnc1 1812426937 VHKVMSZRXXQSAQ-PFBJBMPXSA-N 490.692 5.163 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(Cc3cccc(F)c3)c2)[C@H]1c1cccnc1 1812592316 MXAXYSXUUJKTRQ-OEQAEZTDSA-N 485.603 5.343 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1)C(F)(F)F 1812677597 GURAYSCKPGMOAD-BEFAXECRSA-N 493.938 5.388 30 20 JKED CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1813865290 PJRARTXGIXORPX-OUANZESLSA-N 480.612 5.222 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2OC)[C@@H]1c1cccnc1 1813909009 BYKDQFPHPHLVFF-XXBNENTESA-N 470.013 5.056 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1)c1coc(Cl)n1 1816177529 YAFWTGFTTQJTLQ-HSZRJFAPSA-N 499.958 5.071 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818164756 VIVCIUPLOKZBGH-DENIHFKCSA-N 496.995 5.202 30 20 JKED Cc1ccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)cc2c1 1818565288 GEVNITWBDMTTSR-JOCHJYFZSA-N 486.963 5.344 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ccc(Br)cc3n2)n[nH]1 1819181776 DERFOTPVDDXSIW-BTYIYWSLSA-N 496.409 5.239 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)[nH]n1 1819309141 NCFLZYXUVAWNLP-AZUAARDMSA-N 469.655 5.673 30 20 JKED Cc1cc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)[nH]c2cc1C 1819332079 GHBOEUBFTBTJTL-MHECFPHRSA-N 495.587 5.150 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccs2)[nH]n1 1819384169 FTNBOEFXTANASV-NRFANRHFSA-N 470.715 5.147 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819385550 XIIYRMQHIIMCAG-IRLDBZIGSA-N 454.691 5.221 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)nc3Cl)n[nH]2)c1 1819680385 CTVRAGFNDZUSQA-KUHUBIRLSA-N 497.386 5.358 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)[nH]n2)cc1Cl 1821027023 QLQXZDDSYHZIKW-GHTZIAJQSA-N 479.046 5.111 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)cc(OC)cc2C)n[nH]1 1821252048 DUFHREAORPJJOC-RBBKRZOGSA-N 450.583 5.109 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[nH]n1 1822401303 JPQNXMSHPJTIAV-RDGATRHJSA-N 464.516 5.490 30 20 JKED COc1cc(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(C)c1 1823216077 ABBLPNYRBDEJOV-CYFREDJKSA-N 485.588 5.282 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1ccc(C(F)(F)F)cc1F 1823294452 OSDCHHQOBMMCJZ-OAHLLOKOSA-N 480.384 5.216 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCN(c3ccc(F)cn3)CC2)CC1 1823753026 BSSYGYJLDQIUMB-VWLOTQADSA-N 498.687 5.049 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c(F)c1F 1824053938 APJUCPYDPQDDLW-DEOSSOPVSA-N 479.571 5.011 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1 1824053965 BFMQJRAWEIEDKO-GGGSOPIKSA-N 499.655 5.223 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCc3ccoc3C2)CC1 1824291499 VQMSKBHTEAUXSV-LOSJGSFVSA-N 482.741 5.055 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1824512976 RCPDCRMAIQKMLB-QRWLVFNGSA-N 487.855 5.471 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cccc1C(F)(F)F 1824544741 OKPBKTKGUSADFO-SFTDATJTSA-N 470.601 5.202 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cc(C)ccc2C)CC1 1824951027 KQXDULUPODUUGN-DQEYMECFSA-N 452.639 5.070 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@@H](S)C(C)C)CC3)c[nH]2)cc1 1825422489 JFDVAJHDVYQVDU-DQEYMECFSA-N 467.679 5.178 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)cc1 1826569513 JBLNDOQVIPCELS-SANMLTNESA-N 478.036 5.272 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826679663 IPWVNXAWYYEKLS-QGZVFWFLSA-N 468.413 5.030 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)cc1 1827414216 RKMXRTQDPWNIKG-JOCHJYFZSA-N 461.587 5.107 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(-c3ccccn3)nc2C)CC1 1827728330 ZWNMRUHQAGXEHA-HSZRJFAPSA-N 494.705 5.739 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)s2)CC1 1828903610 CFZMDTIGGPPVCT-FQEVSTJZSA-N 479.162 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829607538 CDNVPWYSIILAAG-QHCPKHFHSA-N 489.664 5.232 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccc4s3)CC2)c1 1829679036 GFCJFFMGPAYWJR-NRFANRHFSA-N 493.654 5.390 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](S)C(C)C)CC1 1829783872 NTNZFBJPZBIRKR-AEFFLSMTSA-N 487.529 5.007 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccoc2Cl)CC1)c1ccc(O)cc1 1829863623 MKEBEEZHDSZFEB-XUZZJYLKSA-N 483.008 5.069 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3F)CC2)c1Cl 1829885159 YIGLSRBMMPVPBO-QFIPXVFZSA-N 471.935 5.037 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830417648 GIDRHLGCXKOJTE-NEKDWFFYSA-N 489.660 5.696 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)cc2c1 1830719007 QHFXWJBXJIUYAS-SANMLTNESA-N 472.564 5.034 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)c2[nH]1 1830721522 HQXUWQMSXBOJPN-VWLOTQADSA-N 489.019 5.549 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770520 AHAFKYQZYPAUTO-DEOSSOPVSA-N 480.008 5.076 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1830770622 DEPHAKQVUSEYEU-XMMPIXPASA-N 483.534 5.433 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccoc3cn2)CC1)c1ccccc1 1830820038 VHNHIHPQHXXBIJ-VPUSJEBWSA-N 483.612 5.258 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc(Br)ccc3Cl)CC2)C1 1831320384 YAFGRIPSRYHFFS-JOCHJYFZSA-N 493.873 5.231 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1831375364 URQXOBRSFYLSBE-WIYYLYMNSA-N 473.614 5.072 30 20 JKED CCCCCc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)cc1 1831750358 ACUDIYXHQWABEA-WNCULLNHSA-N 483.697 5.382 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Br)cc(C(C)C)c2)CC1 1831860646 VNBJPPBMYOQZIN-QFIPXVFZSA-N 461.444 5.382 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1 1832554610 OCOWTWVWPRNSGH-MUUNZHRXSA-N 469.629 5.302 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](F)c3ccccc3)CC2)c1 1832629258 MKGYSPPMFQMJRQ-LIKDZFNVSA-N 461.581 5.258 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)CC1 1833076525 QKXLGOBTEZACGB-UCGXPXSYSA-N 471.730 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)CC1 1838223378 CBHWUZHYDZLTJA-JOCHJYFZSA-N 496.051 5.269 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC(OC4CCN(C(=O)c5cccc([C@@H](C)C#N)c5)CC4)CC3)cc12 1838318080 BZXZUHUUPXGRDV-NRFANRHFSA-N 498.627 5.029 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)CC1 1838520678 LLNRQEVJSCHDAV-FQEVSTJZSA-N 489.616 5.252 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(OC(C)C)c(C#N)c2)C3)c1Cl 1846785070 WNOQREUHSSMHET-UHFFFAOYSA-N 486.399 5.092 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 8620725 ZXUQJUAQQCUNCV-NTCAYCPXSA-N 455.495 5.043 30 20 JKED C=C(C)CSC1=N/C(=C\c2ccc(O)c(OCC)c2)C(=O)N1c1ccc(OC(F)F)cc1 9031597 UEORLAKTDORLBM-WQRHYEAKSA-N 460.502 5.445 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Cl)c2C)cc1 11258268 AFTFNRNUHYRKNA-UHFFFAOYSA-O 459.969 6.218 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2cccs2)nc2scc(-c3ccccc3)c2c1=O 11296929 GZZHUIMOUPUJIX-OAHLLOKOSA-N 467.641 5.342 30 20 JKED C[C@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18515889 WGYJBKXPLKAFIC-LBPRGKRZSA-N 457.602 5.258 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2cccc(CO)c2)cc1 22732801 XAWFEACBUFDDEW-UHFFFAOYSA-O 470.014 5.186 30 20 JKED CCc1c(C)sc2nc(S[C@H](C#N)Cc3ccc(C)cc3)n(C[C@H]3CCCO3)c(=O)c12 24840425 IKFYQTPBCHJWDK-MOPGFXCFSA-N 453.633 5.043 30 20 JKED Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)c(Cl)c1 25558034 WGSGQZUCDDWEFV-HNNXBMFYSA-N 479.993 5.177 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccc3c(c2)CCCC3)c1 28811036 LWIKVAWVWVBDMF-UHFFFAOYSA-O 494.478 6.229 30 20 JKED C[C@@H](C#N)Oc1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cc1 110651355 IENJAUVEAFVLBB-INIZCTEOSA-N 480.351 5.945 30 20 JKED O=C1/C(=C\c2csc([N+](=O)[O-])c2)CN(Cc2ccccc2)C/C1=C/c1csc([N+](=O)[O-])c1 215955403 DNTWHKVRWIMQGN-YEVOMDMPSA-N 467.528 5.178 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccccc1F 218659300 FVGKKDSOIGAOIH-GOSISDBHSA-N 476.581 5.192 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 303336916 UUMPCXYZBVCLHO-CQSZACIVSA-N 486.391 5.099 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 303353416 OFKJOWGLDUHTSD-GFCCVEGCSA-N 477.409 5.526 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)c2)cc1 484640798 QWTAOXCPMLMCOY-UHFFFAOYSA-N 469.522 5.404 30 20 JKED Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ncc(Cc5ccc(C#N)cc5)s4)cc3C2=O)c1 487291046 KUAAPMGQBXQDJO-UHFFFAOYSA-N 492.560 5.275 30 20 JKED C=CCN(C(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 488383936 LKWQXZLSPLVYKK-UHFFFAOYSA-N 473.558 5.413 30 20 JKED C=CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)c1nc(C(=O)OCC)cs1 501954286 YLSHSXHDVWGLEZ-UHFFFAOYSA-N 493.416 5.191 30 20 JKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 502081850 XMTXWLNXXSLFBK-HXUWFJFHSA-N 470.573 5.182 30 20 JKED Cc1ccc(-c2cc(NC(=O)Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)n(-c3ccccc3)n2)cc1 502865791 GFPBRXNNOXUZGA-UHFFFAOYSA-N 493.954 5.326 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)COc3ccccc3OCc3ccccc3)s2)cc1 503069140 ACHDHBWQBCGMME-UHFFFAOYSA-N 488.594 5.299 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3scnc3c2)nnc1-c1ccc(Cl)cc1Cl 505876535 FECCZHPSHIGXEH-UHFFFAOYSA-N 476.414 5.778 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1 508275949 RKUFNQNLUVIFHS-DEOSSOPVSA-N 457.530 5.572 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CCC2 509711916 GOLYGTHGIMKJFA-SLOMDMAXSA-N 469.585 5.751 30 20 JKED C=CCn1c(SCC(=O)N2CCCC[C@H]2c2ncc[nH]2)nnc1-c1ccc(Cl)cc1Cl 509955107 WQOXLZWHXTVHTA-KRWDZBQOSA-N 477.421 5.007 30 20 JKED Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510232026 QZAPFHVMCIPKRS-FQEVSTJZSA-N 495.630 5.215 30 20 JKED C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(C(F)(F)F)cc1 510244252 UCSHJPWIYDJHBQ-LBPRGKRZSA-N 463.510 5.604 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)N(C)C 513632112 NDSBXHRECLPBIS-QHCPKHFHSA-N 491.463 5.130 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc3cccnc23)nnc1-c1ccc(Cl)cc1Cl 515322451 ZODQXASOQSHPSL-UHFFFAOYSA-N 470.385 5.717 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)[C@H](C#N)c4nc(-c5ccc(C#N)cc5)cs4)c3)cn2c1 516270456 ZGZJGWGEZWJWJG-DEOSSOPVSA-N 489.560 5.707 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 516539831 PYYZZFZDAVSXGN-SILNSSARSA-N 498.564 5.690 30 20 JKED COc1ccc(CN[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1OCCCC#N 518275204 JQEOWSXKQIICMP-VWLOTQADSA-N 455.385 6.564 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(C)c1cccc(C#N)c1 518706343 GNFCXYILKJGMCR-OAHLLOKOSA-N 460.584 5.220 30 20 JKED C=CCn1c(SCC(=O)Nc2cnc(C(C)(C)C)nc2)nnc1-c1ccc(Cl)cc1Cl 518856063 CIKRWUALVKETGT-UHFFFAOYSA-N 477.421 5.256 30 20 JKED CN(C(=O)c1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1)c1ccccc1 519102446 VUXVIKWKQXMQCN-UHFFFAOYSA-N 452.539 5.134 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1 520136472 XRFHMYHIVXQOPY-UHFFFAOYSA-N 497.477 5.160 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 520564756 RCDKQMGTDIAKPD-UHFFFAOYSA-N 492.579 5.032 30 20 JKED C=CCN(C(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC)c1nc(-c2ccccc2)cs1 520762886 AOXRINVKEHENST-GOSISDBHSA-N 486.684 5.694 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 520837499 XOIRFMGLYGHGTR-HJPURHCSSA-N 454.567 6.689 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Br)ccc1Br 521092719 VKKMAJFMFXYPIU-UHFFFAOYSA-N 469.133 5.340 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 521723971 YDCORKUQNXJDEM-UHFFFAOYSA-N 460.317 5.704 30 20 JKED C=CCN(C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 521797954 VYFZJZKJMBTWRN-VGSWGCGISA-N 472.515 5.337 30 20 JKED O=C(Nc1ccc(F)cc1)C1CCN(C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 523852839 XDQYUMHGHMWLPA-UHFFFAOYSA-N 492.391 5.119 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccnc1Oc1ccc(F)cc1Br 553328701 CHGBKCXXQBAMLN-AWEZNQCLSA-N 486.366 6.280 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1ccccc1OC 553803761 DWZWGUNLJNEDTH-INIZCTEOSA-N 476.558 5.208 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c([N+](=O)[O-])cc1OC 603613649 JHSKGQNQMLNVHV-HNNXBMFYSA-N 457.895 5.269 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)CC2)cc1 603649797 UFUNWBBEQBDVRC-UHFFFAOYSA-N 467.598 5.575 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)cc1 603706190 MQYRHEYAUTYURN-KOSHJBKYSA-N 459.615 5.907 30 20 JKED CC(C)c1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1-c1ccccc1 603815518 KFBGOLZRDHFFAS-UHFFFAOYSA-N 450.542 5.893 30 20 JKED Cc1nc(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)sc1SCC#N 603964439 MYCCXLDOOGKQIV-IFMALSPDSA-N 476.627 5.186 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 604504410 RLVJKWHWZPZBCA-SANMLTNESA-N 482.584 5.038 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cc(F)cc3c2OCOC3)cc1Cl 608840876 FHFFKDQOCDNOQA-NRFANRHFSA-N 451.885 5.323 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1Cl 608891728 HOOZRCRGBCYATR-IBGZPJMESA-N 478.902 5.060 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 608940520 JIWHUXMFRQWXNH-UHFFFAOYSA-N 454.555 5.815 30 20 JKED Cc1ccc(-n2nnc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c2C)cc1 609062722 XKGRXWWYFDXQMT-UHFFFAOYSA-N 471.948 5.169 30 20 JKED CCOc1ccc([C@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609079044 YJWMLAKURCGSCX-IBGZPJMESA-N 459.546 5.736 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 609103920 ISSRWSHGXUPSBA-MRXNPFEDSA-N 481.524 5.114 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3n[nH]c(-c4ccccc4)c3Br)cc2F)c1 609110829 VBPBHSWJATVGCV-UHFFFAOYSA-N 491.320 5.681 30 20 JKED C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 609163333 HYPZORKAIKWKQW-YCRPNKLZSA-N 452.341 5.406 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 609171016 HHMQCEDCXHMCNQ-UHFFFAOYSA-N 488.507 5.839 30 20 JKED CCOC(=O)C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(OC)c1 609209646 GKLOAINSMXCLTB-XMMPIXPASA-N 459.502 5.175 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 609370566 DTTPZTAUIAITMS-CQSZACIVSA-N 473.624 5.414 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 609377427 VAYIJPOYIZDTOY-SFHVURJKSA-N 450.585 5.165 30 20 JKED COc1ccc2ccccc2c1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609401192 ZQOWNJLNIBWYEU-UHFFFAOYSA-N 487.503 5.128 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 609430312 MMNSQWKCCJKZNU-MRXNPFEDSA-N 486.018 5.787 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)n2)cc1 613315245 FITFKHVQAJFFSA-PGRDOPGGSA-N 479.627 5.172 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc2cc(C(F)(F)F)ccc2s1 613403951 IKTIXOYXWHDBAI-GOSISDBHSA-N 497.498 5.734 30 20 JKED C=CCN(C(=O)c1ccc(SC(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614533500 KWMSFNKMWJJLDJ-UHFFFAOYSA-N 472.657 5.547 30 20 JKED O=C(NCCc1ccc(F)c(Br)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 615814579 OPCQHMRHZKTZKU-QWRGUYRKSA-N 479.234 5.339 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 618248265 OKQDFAMQBZEBDE-UHFFFAOYSA-N 470.525 5.095 30 20 JKED C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 620002320 OJLGUUHWYUMQJD-RTXFEEFZSA-N 466.344 5.461 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 622504243 TUKKQCMRQOOJGW-ZDUSSCGKSA-N 459.312 5.417 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642175443 ZNYFIFWOODMONQ-NHAGDIPZSA-N 451.386 5.268 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc(Cl)cc2)cn1 726114085 VBXGPNXNUQVGDK-NRFANRHFSA-N 482.009 5.025 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 726402782 YBEYYOUSBPNXJI-ACJLOTCBSA-N 498.407 5.518 30 20 JKED Cc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C)n1C[C@H]1CCCO1 726626584 IIOKPGCSTKITPM-UKZWNIFTSA-N 458.008 5.215 30 20 JKED Cc1oc(-c2ccsc2)nc1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 727038287 JJXBUAMHXZSSNJ-IBGZPJMESA-N 457.511 5.394 30 20 JKED COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 728063209 ZNUSDMICXKLARV-VQTJNVASSA-N 473.573 5.141 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 728120139 VGSHMLZZMLATFQ-FQEVSTJZSA-N 468.557 5.455 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(Cc2ncccc2C)C1=O 729634507 NGTCYQXEMFPRPL-DEOSSOPVSA-N 488.613 5.176 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)cc1 729887733 BIRRCAODVAJJJY-YADHBBJMSA-N 475.614 6.341 30 20 JKED N#Cc1cccc(COC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)c1 730862711 ROIQGUPBROOUPC-UHFFFAOYSA-N 474.748 5.187 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 730903941 PVRWMOOSJMTKRC-QHCPKHFHSA-N 469.463 5.320 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)s1 731070348 QEGBIRXBASMBMY-OAHLLOKOSA-N 454.548 5.601 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cccc(F)c2)C1=O)Nc1cccc(O)c1 731304921 CCUCEYGUSYCILJ-NRFANRHFSA-N 483.952 5.345 30 20 JKED C=CCN(C(=O)COC(=O)c1ccnc(F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 743189831 QVAMZOPZDGCPLB-UHFFFAOYSA-N 466.321 5.027 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cc3ccccc3[nH]2)c1 746697012 YMPKPUIFRGZBFP-VWLOTQADSA-N 498.608 5.015 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCOC(C)(C)C)cc1 746697208 BLRNKQBDAGKGDH-QFIPXVFZSA-N 483.634 5.033 30 20 JKED COc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nn(CN3CCC(C#N)CC3)c2=S)cc1 747079276 XJKKKJINPZQKPC-UHFFFAOYSA-N 461.635 5.569 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccn(-c2ccccc2Cl)n1 748003772 JTXGJVIZSYRGAT-GOSISDBHSA-N 456.889 5.279 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccccc2SC(F)(F)F)CC1 748985087 ITDZRLHMBXGERM-UHFFFAOYSA-N 457.481 5.072 30 20 JKED CCOC(=O)/C=C\c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 759305728 IAEGVYPPURGHTR-QINSGFPZSA-N 485.565 5.118 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CC(F)(F)F)C2=O)cc1 799211925 UEWYGPABMOMFGA-GOSISDBHSA-N 479.524 5.225 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(CC(F)(F)F)C2=O)cc1Cl 799216152 UCMRIUHLQNWNRD-QGZVFWFLSA-N 485.915 5.180 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837468512 PTFDVJOURGNHPW-GAJHUEQPSA-N 494.567 5.698 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1Cc1ccc(C)cc1 838483186 PIBAZFJBUXYLLJ-DEOSSOPVSA-N 489.597 5.173 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccco3)C2=O)cc1 838586889 IXZRTQYYBUFHDO-OAQYLSRUSA-N 485.512 5.117 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)OC[C@H]2CC)ccc1Cl 857145526 FIUMYWCHHUIQKQ-FUHWJXTLSA-N 497.444 5.014 30 20 JKED COc1ccc(-c2nc(CC(=O)N3CCCSC3=Nc3ccccc3)cs2)cc1OC 871596070 BLTLYSFZASHHPB-UHFFFAOYSA-N 453.589 5.023 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2NC(=O)c2cccs2)c1 875261900 REMNNMMWPVIYKK-IBGZPJMESA-N 475.570 5.109 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2ccc(Oc3ccccc3)nc2)no1 904448195 VLDRKDGWHHNOPG-UHFFFAOYSA-N 493.317 5.536 30 20 JKED N#Cc1ccccc1OCc1ccc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)o1 904500465 MDCSAYNDHVFESI-UHFFFAOYSA-N 450.454 5.421 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)n2)cc1 915102311 WGGKRYMLLYXHRZ-JOCHJYFZSA-N 493.654 5.013 30 20 JKED Cc1ccc(C)c(-n2c(-c3ccccc3Cl)nn(CN(CCC#N)Cc3cccnc3)c2=S)c1 915795692 HGFAJJJKZUTTGB-UHFFFAOYSA-N 489.048 6.109 30 20 JKED CC(C)c1ccc(OCc2nnc(S)n2N=Cc2ccccc2OCc2cccnc2)cc1 915956204 PKDZJKIRJIBYCL-UHFFFAOYSA-N 459.575 5.125 30 20 JKED COc1cc(/C=C\C(=O)c2ccncc2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 916136463 OKLDBCNXKMZMAS-KXFIGUGUSA-N 464.326 5.061 30 20 JKED COc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc(Br)c1OCc1ccccc1 916154575 ORKVTLTWESQIMU-WQRHYEAKSA-N 499.382 5.090 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C)c1 916214872 BXJZOKDYCGZMMT-QHCPKHFHSA-N 477.561 5.303 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 916883204 HQDHJHBMJRWXSS-YADHBBJMSA-N 493.535 5.210 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1sc2cccc(Cl)c2c1Cl 916900184 NGQHTYPWAINRPN-SNVBAGLBSA-N 467.761 6.140 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 916902887 IHUUDYCWZKMRDT-KMJQGLECSA-N 471.439 5.583 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916910380 XDPYESAFLDATRX-JWQCQUIFSA-N 466.537 5.227 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1=S 917075448 OHLLXRMLVIQDIS-UHFFFAOYSA-N 493.640 5.604 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC[S@](=O)c1cc(Cl)ccc1Cl 917175408 IHUDSGWQKAYJRJ-PMERELPUSA-N 486.421 5.389 30 20 JKED C=CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc1OC 917645294 WLHUXMFRECDJKN-WQRHYEAKSA-N 487.400 5.300 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc([N+](=O)[O-])cc2)c1 917668801 GXUHDKRSHLKXAC-QFIPXVFZSA-N 474.542 5.064 30 20 JKED N#CCOc1ccccc1C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 919978236 IPBHLMIBNWYOBJ-SFHVURJKSA-N 498.402 5.301 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)C(=O)Nc1ccc(F)c(Cl)c1 920110066 MXFKNXAWHSQIJZ-AWEZNQCLSA-N 490.716 5.177 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3ncnc4sc(C)c(C)c34)n2)cc1 920139557 UVRCMXJBXMYTTG-INIZCTEOSA-N 466.613 5.409 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c(C)c4ccc(OC)cc4oc3=O)n2)cc1 920143522 REMBEJKEMMHUHM-NRFANRHFSA-N 474.538 5.051 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(CCc3ccccn3)C2=O)c1 920172899 MRQHIVNHQFHBNG-AREMUKBSSA-N 498.652 5.390 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2nc(-c3ccccc3)cs2)cs1 920367774 AQMOJTJIZIZGEY-UHFFFAOYSA-N 487.532 6.416 30 20 JKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1Br 920523877 UQCJMKWUNSPYJA-AWEZNQCLSA-N 470.323 5.090 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2c(ncn2-c2ccccc2)C1 929077676 IULHNONRFQZDQG-UHFFFAOYSA-N 463.541 5.222 30 20 JKED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCc2ccccc2)C1 1783207995 FBEHYRURLBDTLZ-LEAFIULHSA-N 454.655 5.050 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3cccc(F)c3)CCC2)cc1 1785934478 NEKHRXIKJUQAIX-UHFFFAOYSA-N 456.521 5.185 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)CCC1 1785958712 CMQSLGALORQRJJ-HNNXBMFYSA-N 490.373 5.137 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccn4c(C)cc(C)nc34)CCC2)cc1 1786104498 VVFXCGNHGCVFIQ-UHFFFAOYSA-N 456.590 5.467 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3cccc(C)c3)CCC2)cc1 1786370643 BBDLDMLAQWFJAJ-NRFANRHFSA-N 469.585 5.396 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(F)F)cn3)cc2)CCC1 1787146653 BCWPKFHHRSKTNW-HXUWFJFHSA-N 455.505 5.199 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccc(Br)cc5c4)CCC3)cc2)CC1 1787881786 WFCDZRAVXQIUQG-UHFFFAOYSA-N 489.373 5.049 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5n[nH]cc5c4)cc3)CCC2)c1 1788437222 IEVWWYQCEGZKSI-GOSISDBHSA-N 463.541 5.251 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c[nH]nc5c4)cc3)CCC2)c1Cl 1788450817 XKHZKWPTQGETLH-UHFFFAOYSA-N 469.932 5.149 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)cc2)CCC1 1789220374 LXKIFZLLTQWOID-DEOSSOPVSA-N 487.629 5.032 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccn4cncc34)CCC2)cc1 1789508038 DRVVPTMUMDNYBJ-UHFFFAOYSA-N 472.665 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCn3c(=O)oc4ccccc43)CCC2)cc1 1789624314 WKYAYSMDFIDPQS-UHFFFAOYSA-N 475.589 5.111 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4[nH]nc5c(Cl)cccc45)cc3)CCC2)cc1 1790371615 JGTQRGJOADRQMO-UHFFFAOYSA-N 483.959 5.078 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)C3(Cc4ccc(C(F)(F)F)cc4)CCOCC3)cc2)CCC1 1790559358 LOHRBBGUNWKDRE-UHFFFAOYSA-N 499.533 5.092 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CSc3c(C)cccc3C)CCC2)cc1 1790567778 PPQWXSMYFAYWPN-FQEVSTJZSA-N 467.635 5.331 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cc[nH]n4)n4ccccc34)CCC2)cc1)C(F)(F)F 1791302769 JKQQHDBEDJPJMJ-UHFFFAOYSA-N 493.489 5.196 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1791589812 IAZLPJSLLYABSW-VJBMBRPKSA-N 481.637 5.265 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C3CCN(c4cccc(Br)c4)CC3)CCC2)cc1 1791593515 VPZFQZKRGQAKGO-UHFFFAOYSA-N 496.449 5.376 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CCC2)cc1 1791732059 RQSUQIONLGEFFH-JOCHJYFZSA-N 469.626 5.008 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)cn4)CCC3)cc2)cc1C#N 1792168727 UWONRAQEIXCRAW-UHFFFAOYSA-N 488.975 5.455 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C2)c1ccc(O)cc1 1802417905 XPJGWMOCXFGKCY-WJMWBRGCSA-N 485.411 5.148 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1803087016 QEZMFDGKUYXVAL-AUSIDOKSSA-N 472.416 5.476 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1F 1803503306 TUFHSGHWTXOWSM-BHAWFMJASA-N 498.602 5.109 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)[C@H](S)C(C)C)[C@H]2c2cccnc2)c2ccccc12 1803605398 CCBMYBCKCFVHFK-XTBZXYEFSA-N 489.685 5.136 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4cc(F)ccc4s2)C3)c1 1803680351 CGPJWZHMMYGRHO-RWXMBLCBSA-N 461.562 5.233 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2c[nH]c3ccc(C)cc23)[C@@H]1c1cccnc1 1804374490 HQZDJBODRYUNPX-AMGIVPHBSA-N 472.633 5.112 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ncc(Cl)cc3Cl)C2)CC1 1804743486 IBMJFYUXJAJEHM-SFHVURJKSA-N 450.410 5.002 30 20 JKED CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1806280735 RNZWDLGVZAJJFT-VKKANWSESA-N 480.612 5.222 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 1809552799 DSXDLNUICSTBJG-WELLZUMNSA-N 499.014 5.038 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4)CC3)C2)c1 1810353760 BWZMLGXFSFPURK-UHFFFAOYSA-N 478.596 5.087 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)[C@H]1c1cccnc1 1810505637 ZLGMFDLRTGLJQQ-BVAGGSTKSA-N 492.639 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1811696912 IYNBFRSBLOSNAT-JBYIUTFZSA-N 488.415 5.182 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1811955147 BDYYXBBFONHYKN-NUKCWJJBSA-N 480.612 5.465 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)[C@H]1c1cccnc1 1812588029 YIWZAAJLAYOONQ-KPLVRAHFSA-N 476.543 5.015 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@H]1c1cccnc1 1812589322 AROMIDAVDHJVCS-WJPUGNRLSA-N 479.930 5.286 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cc2ccccc2Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1812927610 HJMDNWPKKUXALO-OQTGDVNSSA-N 499.630 5.272 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3ccccc32)[C@H]1c1cccnc1)c1ccccc1 1813168198 KAXLQFRRVKWHBF-HPWVJBTOSA-N 491.635 5.015 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@](C)(OC)c3cccc4ccccc34)[nH]n2)C1 1814396434 IIBVGIQYWSTUQI-RBJSKKJNSA-N 472.589 5.083 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)[nH]n1 1814443225 QZMGBFCANKMILO-GOSISDBHSA-N 465.520 5.065 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1814828721 RFYSIKKUMCVUQI-NRFANRHFSA-N 485.510 5.374 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CSc2ccc(F)cc2F)n[nH]1 1815147393 JUAIDZOYKDKBMK-IBGZPJMESA-N 476.593 5.465 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC#N)n[nH]2)cc1Cl 1817122950 BGIFJZHEXKKANQ-SFHVURJKSA-N 478.380 5.113 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNc2ccccc2C)n[nH]1)c1ccccc1 1817427388 XPVIQAUUWRVVPV-OZXSUGGESA-N 483.616 5.020 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cccnc4s3)n[nH]2)c(Cl)c1 1818574411 NIJQKCBQHNOVDE-IBGZPJMESA-N 490.976 5.164 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1819303002 PWFUZCPIFHRCSO-GMAHTHKFSA-N 485.028 5.683 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)[nH]n1 1819306648 BPKCGSCOOGFKKN-SRUXOGRHSA-N 467.013 5.627 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(Cl)c(Cl)c4)sc3C2)cc1 1822074160 WKBYYLGTOYWDTE-MRXNPFEDSA-N 485.396 5.056 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)[nH]n1 1822580242 WVYJSQYOZVSZCL-QFIPXVFZSA-N 462.594 5.013 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)Cc2ccco2)n[nH]1)c1ccccc1 1822844034 GNMKGYAUQPHORA-OPHFCASCSA-N 472.589 5.071 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)cc2c1 1823214128 AJDSCIILFYCSFZ-GAJHUEQPSA-N 497.555 5.411 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(Cl)c1 1823216031 NGZDQDJURZLSSU-GAJHUEQPSA-N 475.980 5.618 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1C 1823217333 KLOMNZKQDQWKOT-NTKDMRAZSA-N 455.562 5.273 30 20 JKED CO[C@](C)(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](S)C(C)C)CC1)c1cccc2ccccc12 1823711600 GCEYDGRKRZGWPC-HFASVGIHSA-N 496.717 5.276 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)c1 1824053754 FANPDMXSRJMXGN-VWLOTQADSA-N 481.999 5.217 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)cc1 1824537948 AWULKRFSTJCNOF-AZGAKELHSA-N 479.690 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1825600448 JZGHDWYZSZPSKR-OZXSUGGESA-N 496.602 5.357 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccsc2)CC1 1827102961 JMFANOIYZQFCKW-XMMPIXPASA-N 472.771 5.352 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533706 OMULIGNLCFFWJM-AOMKIAJQSA-N 489.479 5.154 30 20 JKED Cc1scc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1C 1827680079 GZQJBDNAMCEISE-MHNQQFQPSA-N 470.660 5.099 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4ncoc4c3)CC2)c1 1828302775 YLAXFTWNDTZNDA-UQBPGWFLSA-N 470.573 5.002 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1)C(F)(F)F 1828400378 INHHJFLPPLMHGP-HKBOAZHASA-N 468.947 5.182 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1828829234 FZQQRCZIDWKRON-UIOOFZCWSA-N 477.649 5.347 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 1828830052 QUZZNMGVOYZKPZ-RCZVLFRGSA-N 486.056 5.300 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1828906274 DITJVKMZISKPSX-JWQCQUIFSA-N 456.747 5.404 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2CCC)CC1)c1ccccc1 1829033479 VVRYKRVERKHOTP-IZZNHLLZSA-N 489.660 5.366 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3cccs3)on2)CC1 1829280778 QUOSAEKFGGARHB-RBBKRZOGSA-N 467.635 5.405 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)c1 1829491109 JICVIDUNRPQIKP-MUUNZHRXSA-N 496.586 5.306 30 20 JKED Cc1cc(Cl)c(Br)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(C)(C)C#N)CC1 1829648222 DWXPUMPOVYZYNJ-HXUWFJFHSA-N 494.861 5.194 30 20 JKED CN(C)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1829979918 QQHRCWLHKBMJRN-AREMUKBSSA-N 481.757 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1830151860 CQFDFPPKJZKTOB-DEOSSOPVSA-N 485.072 5.371 30 20 JKED O=C(C[C@@H]1CCCCO1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601608 GHUJTADQUZYSQD-KYJUHHDHSA-N 498.667 5.279 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601993 NBKBXRLODFJKAV-PWUYWRBVSA-N 499.655 5.121 30 20 JKED Cc1ccoc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830757060 YWJHLMSVTNHHCX-OAQYLSRUSA-N 473.495 5.026 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831031225 OARMIWYWJBCBSV-RXFWQSSRSA-N 476.617 5.072 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Sc2cccs2)CC1 1831445396 IDKLMHHKRUNOEL-SJLPKXTDSA-N 456.624 5.060 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3sccc3c2O)CC1 1831447424 SCZUNACIVRKNDP-LJQANCHMSA-N 462.562 5.052 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F 1831451457 DCWVKOROBHJIDR-LJQANCHMSA-N 493.353 5.110 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1)c1ccccc1 1831506789 FIJNOTBJOFEQLG-UTXUYHSBSA-N 478.658 5.301 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1831925116 VHEUREDIIGTAHN-ONDZYYNLSA-N 490.619 5.220 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ncoc4c3)CC2)c1 1832632372 OCUJVEWMLMBBHV-UQBPGWFLSA-N 470.573 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)CC1 1832662003 OOJMJGLQRDRLHV-HSZRJFAPSA-N 461.046 5.574 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)CC1 1832673196 MKSAOOALOFJZDC-HSZRJFAPSA-N 461.046 5.574 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccccc3F)CC2)CC1 1832849722 NOQYUSOFMDLMSY-RCZVLFRGSA-N 452.614 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)CC2)CC1 1836602329 ANMCDYSMQUVACV-NLFFAJNJSA-N 473.057 5.211 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CC2)CC1 1838749580 AMURHJFBQGTCLE-OAHLLOKOSA-N 487.855 5.471 30 20 JKED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)C3CCC(c4ccc(Cl)cc4)CC3)C2)c1 1841409240 XBXUJJNLMKIXMV-UHFFFAOYSA-N 492.019 5.011 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)C2)c1 1844676098 NMJUMOCDPUAESO-QFIPXVFZSA-N 488.591 5.364 30 20 JKED C=CCn1c(SCC(=O)OCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1Cl 9847938 KSLABPYODKTZLX-UHFFFAOYSA-N 491.400 5.020 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)N[C@](C)(C#N)C3CC3)n2-c2ccccc2)cc1 11019686 YWVNJIRZEDIWTM-AREMUKBSSA-N 459.619 5.132 30 20 JKED Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 15705287 UUEJZIUPHGBZPN-UHFFFAOYSA-N 473.526 5.235 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 17534978 RNFNOZJEJFXBEC-CHWSQXEVSA-N 470.645 5.734 30 20 JKED C[C@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18532518 MFUSRSKLKZAQNG-HNNXBMFYSA-N 493.610 5.386 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)nnc1C1CC1 21143649 QUVFGBBTHGHOOQ-UHFFFAOYSA-N 457.024 5.877 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)c3sc4cc(Cl)ccc4c3Cl)n2)C[C@@H](C)O1 22300614 AYBFJSHBJITMBI-PHIMTYICSA-N 456.420 5.910 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2ccc(OC)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731325 CITFQDUSXGYHBW-UHFFFAOYSA-O 483.613 5.633 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)cc1 29201428 VCRGBDWOLWUKOX-UHFFFAOYSA-N 497.555 5.116 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(-c2csc(C)n2)c1 33158310 ZDMOAODPOBHCLJ-UHFFFAOYSA-N 472.364 5.169 30 20 JKED Cn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccc(Cl)cc1 45699288 YHXMOJCPVJBBGA-UHFFFAOYSA-N 458.012 5.068 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 107646586 LZVULLPBJROSLY-JOCHJYFZSA-N 463.990 5.614 30 20 JKED CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 107805545 NDPOJEDLFUZEKW-MWTRTKDXSA-N 476.964 5.491 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)c1ccc(Br)cc1 195633860 KXSFCHUAUFHHMO-XMMPIXPASA-N 492.373 5.628 30 20 JKED N#C[C@@H](C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 215643007 BAIQKSYSTWQJIY-QHCPKHFHSA-N 479.605 5.634 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(F)cc2C(F)(F)F)c1 302994828 JUZFSBZKVCKAMN-UHFFFAOYSA-N 487.478 5.377 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nc2ccccc21 303085947 BGUAFEFWOIMBOP-MHZLTWQESA-N 479.584 6.070 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 480320091 MWVPQADGLGFAPD-DEOSSOPVSA-N 455.514 5.543 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCN(c4ccccc4C#N)CC3)c3cnn(C(C)C)c3n2)s1 481074244 JQMPOJLRTOVLGY-UHFFFAOYSA-N 484.629 5.273 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 483270035 OCBZDOJWUITQRH-XHCCPWGMSA-N 473.548 5.159 30 20 JKED CC1(C)CC[C@H](NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc21 486998006 QBYBRQXSWCIJRV-SANMLTNESA-N 467.569 5.199 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1 490651850 UGVCGBWGSWEOCT-UHFFFAOYSA-N 452.554 5.812 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C(F)(F)F)c1 501613630 NEIYEYSFIBZKNC-OAHLLOKOSA-N 463.529 5.217 30 20 JKED COc1ccc2c(-c3ccccc3)c(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)oc2c1 501720800 MVHYJRFPFJGLBJ-UHFFFAOYSA-N 479.536 5.471 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(F)ccc1OC[C@H]1CCCO1 502405111 IJSLVASVTZBLCJ-OAHLLOKOSA-N 481.364 5.439 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1 503368579 DKLFAHRYEBYKJT-AREMUKBSSA-N 450.498 5.665 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(N2CCCC2)cc1C 503675131 IRQCCODJSYVFGG-UHFFFAOYSA-N 498.052 5.336 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 505617483 CNCOFDMHUWQRCW-UHFFFAOYSA-N 459.502 5.803 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 505655137 BERAAQKRZVJMJQ-UHFFFAOYSA-N 464.978 5.519 30 20 JKED C[C@H](c1ccc2ccccc2c1)N(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 509863876 KUJJQTWTDCCUFP-LJQANCHMSA-N 480.568 5.928 30 20 JKED Cc1c(NCc2ccc(C#N)cc2F)cccc1NC(=O)c1ccccc1I 511112273 TUPCILMIVOUHJI-UHFFFAOYSA-N 485.300 5.475 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 512787951 MJMGJWRABUJQIO-UYRXBGFRSA-N 484.537 6.044 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)n2CC(C)C)cc1 513915230 PGBPNWPWXLGAGE-LJQANCHMSA-N 463.607 5.037 30 20 JKED CCCN(CCC)C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513994128 JFDXTJOKHICBAF-UHFFFAOYSA-N 486.591 6.194 30 20 JKED C=CCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1[C@@H]1COc2ccccc2O1 514670134 GFVTXRONRGRGLC-FQEVSTJZSA-N 450.495 5.063 30 20 JKED C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 515649095 LQHYAJZTVIFPDS-MRXNPFEDSA-N 455.341 6.044 30 20 JKED Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 517467404 YFAOVTFTXDBDCB-QGZVFWFLSA-N 479.524 5.381 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 517532621 ODKFDNDGPBOYEY-WINIVTDRSA-N 487.625 6.278 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 518150878 HSUKAQKNTMFTFV-UHFFFAOYSA-N 494.926 6.376 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1ccncc1 518682986 CSNYLOBAGMXKAH-MOPGFXCFSA-N 476.602 5.804 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O 519415410 MHTVJFIMCKKVRI-RXFWQSSRSA-N 498.608 5.225 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 519427611 PQBYBGGYEPQAFE-OAHLLOKOSA-N 471.376 6.125 30 20 JKED N#Cc1cc(NC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)ccc1F 524146201 HJDWDESDADEPGW-UHFFFAOYSA-N 463.534 5.069 30 20 JKED Cc1ccc(-c2nc(CCNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)co2)cc1 555274769 IQAOWIQDVQAMLR-UHFFFAOYSA-N 466.541 5.659 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2)cc1 604156869 XDNAUWDUHWXKND-XMMPIXPASA-N 496.592 5.244 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cc2)c1 609073798 YFOCILMVNLJCER-UHFFFAOYSA-N 453.376 5.255 30 20 JKED CCOc1c(Cl)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 609104059 MZNCSYKUCLSSLW-UHFFFAOYSA-N 454.885 5.589 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)CC2)c1 609204701 FYCMIQRHCUHFFP-UHFFFAOYSA-N 468.582 5.834 30 20 JKED CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609377840 PRECAALAAIHUBZ-FDDCHVKYSA-N 451.636 5.629 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 609387012 FQUIQRWIMPOZMW-LBPRGKRZSA-N 463.441 5.842 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 612662439 WKOUKZIWVKYALX-UHFFFAOYSA-N 459.040 5.226 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)s2)cc1 613405280 WPHZOWYVJSNEGQ-HNNXBMFYSA-N 473.501 6.246 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nnc1-c1ccccc1 614501037 PVHDJHVTUMUUFX-UHFFFAOYSA-N 465.579 5.704 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1OC(F)F 616355043 XXIVYJZIVFGSMT-SECBINFHSA-N 470.316 5.142 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)nnc1-c1ccc(Cl)cc1 617896663 XXUGDQMNLUEGFI-KRWDZBQOSA-N 498.052 5.386 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 623050098 ONYINRMEIMIMJC-RKDXNWHRSA-N 492.317 5.065 30 20 JKED C=CCn1c(SCc2c(Cl)ccc3cccnc23)nnc1[C@@H]1COc2ccccc2O1 643092420 KZXRJHPCNKCJHQ-FQEVSTJZSA-N 450.951 5.471 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(NC(C)=O)c(SC)c2)[n+]2ccc(CC)cc2)c1 726573270 VEQHMHLYMVUKKM-UHFFFAOYSA-O 488.658 5.521 30 20 JKED CC(C)(C)OC(=O)N1CCC(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)(c2ccccc2)CC1 727123456 DPVUFCQVPHFZSD-UHFFFAOYSA-N 486.534 5.142 30 20 JKED COc1cc(Br)c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1OC 727223523 UKIVQFRBAZRPPG-HXUWFJFHSA-N 480.362 5.443 30 20 JKED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c(F)cccc1F 727627543 HDNGCZSFWGFPAG-LEXFCZAPSA-N 483.584 5.333 30 20 JKED COc1ccccc1OCCN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 728121320 FOEVOCHMOAJDTF-UHFFFAOYSA-N 465.937 5.342 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)cc2F)c1 728192318 HWPFVBCEYALRPJ-UHFFFAOYSA-N 473.435 5.513 30 20 JKED Cc1nc(/C=C/c2c(Cl)nc(Cl)n2C)sc1C(=O)/C=C\c1c(Cl)nc(Cl)n1C 728440144 JYKJYRBWEWFKEQ-XGXWUAJZSA-N 477.204 5.599 30 20 JKED Cc1ccc(NC(=O)c2nnc(COC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)s2)cc1 728667831 CJAXWCZKLXSPHA-UHFFFAOYSA-N 470.510 5.120 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(CCCCC#N)C2=O)cc1 728777357 KKDQSOZOOLPUOZ-HSZRJFAPSA-N 476.602 5.160 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ncccc2C)c(C)c1 729634659 QFOGUQKXZOMTSC-DEOSSOPVSA-N 483.597 5.039 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)cc1 730491160 PCPAGBCZAIBSKX-QGZVFWFLSA-N 465.522 5.287 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2Cc2cocn2)c1 730726841 LEAGBEZAQHNYQG-QHCPKHFHSA-N 491.617 5.025 30 20 JKED COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc(OCc4occc4C(=O)O)cc3)cc2c1C 730948282 BGIHDGGUQCYXGH-YVMONPNESA-N 477.494 5.158 30 20 JKED COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)sc2C)cc1 731060499 LPCNJLOTRDRTCM-INIZCTEOSA-N 480.611 5.779 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 731074083 KGUHVDOTMWOXPB-KBPBESRZSA-N 483.442 6.050 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2Cl)c1 731305644 FNPPEOQIOOHJRA-QFIPXVFZSA-N 495.988 5.215 30 20 JKED C[C@@H](CC#N)Sc1ccccc1N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 731338481 AGSSDGRTQOSCSY-BJMRFWQKSA-N 473.985 6.374 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 731399866 HMRANDLDRFTFCM-GHTZIAJQSA-N 472.655 5.724 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cc3ccccc3[nH]2)C1=O)NC1CC1 746695283 DMNJQCFTSGKGKS-DEOSSOPVSA-N 468.582 5.122 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C 746695356 FLTOOEPRPGDTBK-HSZRJFAPSA-N 467.635 5.389 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)CSCc1cc(-c2cccs2)on1 747121433 HDGPAVZWRWVZJJ-UHFFFAOYSA-N 479.377 5.275 30 20 JKED C=CCOc1ccc(/C=C(\Cl)c2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCC)cc1OC 747190203 MKYFFHMQISMCNY-RGEXLXHISA-N 490.025 5.007 30 20 JKED N#CC(CCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)(c1ccccc1)c1ccccc1 747962842 VGPPZABPYOQRNY-UHFFFAOYSA-N 469.522 5.775 30 20 JKED Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2ccc(C)cc2)cc1 748408866 OPMLTUBDZCLPTK-AREMUKBSSA-N 475.566 5.162 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1nc(C(=O)OCC)cs1 749129118 UZGZDJQBULGBSY-UHFFFAOYSA-N 477.973 6.021 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cn3cccn3)cc2)C1=O)Nc1ccccc1 766896231 MTFWGKRFXPAZFA-VWLOTQADSA-N 495.608 5.092 30 20 JKED Cc1ccc(Sc2ccc(C=Nn3cnc4ccc(Br)cc4c3=O)cc2[N+](=O)[O-])cc1 767313430 JOQJWBBXXLXKLJ-UHFFFAOYSA-N 495.358 5.409 30 20 JKED Cc1cc(CSc2ncccc2C(=O)O[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)no1 808915925 GNZPXTCZAAYGBC-PGECNJAHSA-N 477.586 5.096 30 20 JKED CC(=O)N(c1nc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cs1)c1ccc(F)cc1F 818245875 SZFSGBYLHHLBRA-BZGNCICPSA-N 481.480 5.844 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@H](c3ccc(C(C)C)cc3)C(C)C)nc(O)c2C#N)cc1 824960496 XNYFEOWPOFJOIE-DEOSSOPVSA-N 490.629 5.458 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccc3F)C2=O)c1 837548065 JVJDUMMXBVACIZ-QHCPKHFHSA-N 493.560 5.003 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O)Nc1ccc(SC(F)F)cc1 838590183 AAVYSWUOAADIJA-QGZVFWFLSA-N 483.512 5.402 30 20 JKED O=C(Nc1cccc(C(=O)N(O)Cc2cccc3ccccc23)c1)c1ccc(Br)o1 901370977 PIPGKJZWXGTPJY-UHFFFAOYSA-N 465.303 5.479 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(Cc2cccc3cccnc23)CC1 912998118 DUKMJGXMSYACCO-UHFFFAOYSA-N 464.594 5.216 30 20 JKED CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(Cl)cc2Cl)n(Cc2ccco2)c1=S 914783285 QQCDIIHJXVWTNW-UHFFFAOYSA-N 484.412 5.990 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915103708 CKFNWMUXOQVSGN-OAHLLOKOSA-N 457.278 5.403 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc([C@@H](C#N)c5ccccc5)cc4)cc3)o2)cc1 915200284 XHJGQYLLOWRZHU-MHZLTWQESA-N 470.532 6.620 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1OC 915601972 IZPRXFLKPQBQKT-QINSGFPZSA-N 478.570 5.021 30 20 JKED Cc1cc(C=Nn2c(S)nnc2SCc2ccccc2)cc(C)c1OCc1ccccn1 915955468 DXVSQUZHIVOPCC-UHFFFAOYSA-N 461.616 5.332 30 20 JKED C=CCN1C(=O)N[C@H](c2ccccc2OC(F)F)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 916166732 PKBCDYUSWDORLX-LJQANCHMSA-N 481.421 5.472 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2Cc2ccco2)cc1 916214863 PXRQWUASFGWSGH-OAQYLSRUSA-N 499.976 5.111 30 20 JKED Cc1cc(/C=C\C(=O)[C@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)n1C1CCCCC1 916880886 RBCQEMQMSJRYTH-MBWOQUJGSA-N 455.566 5.011 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)nn2-c2ccccc2)cc1 916918783 PXHPLWMRVHJVCP-VWLOTQADSA-N 486.531 5.662 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 916949085 LUGNWEIJCHOUJZ-BXKMTCNYSA-N 457.505 5.553 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 916955173 MYGPHLNFLPXJMQ-AOMKIAJQSA-N 463.628 6.219 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1 916975982 HQQZKRNDRXRARN-RBUKOAKNSA-N 458.370 5.561 30 20 JKED N#C[C@@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997521 VLYJZNIHWYKDKP-INIZCTEOSA-N 487.368 6.115 30 20 JKED COc1ccc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)cc1OCc1ccc([N+](=O)[O-])cc1 917038413 OXPHZKFSWHLMOI-OEAKJJBVSA-N 489.553 5.691 30 20 JKED C[C@@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 917428593 CEVYAQFJFLWTKX-RXMQYKEDSA-N 455.330 5.397 30 20 JKED COc1ccc(C(C)=NNc2ncnc3[nH]cnc23)cc1CSc1nc2ccccc2s1 917554891 LRMAAHREKMTOPX-UHFFFAOYSA-N 461.576 5.100 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)SC1=S 917645013 QPYDIPHUTOHXJU-MTJSOVHGSA-N 487.518 5.091 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cccc(C)n3)C2=O)c1 917670413 UNFCRVAYLQRXDF-DEOSSOPVSA-N 488.613 5.176 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920140247 CWMRLRDVTHTFAX-OAQYLSRUSA-N 484.610 5.354 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(c4cccc5ccccc45)C3)n2)cc1 920143427 ZRMSRJGMXDKADR-IFMALSPDSA-N 462.534 5.064 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H](C)c2ccc(C)s2)C1=O 920170495 NGBNZBQMVQIZLB-BZNIZROVSA-N 456.420 5.192 30 20 JKED N#C[C@H](C(=O)CCC(=O)CCC(=O)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 920806620 MQBUWYFIMYMJPT-CQSZACIVSA-N 458.511 5.338 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3ccccc3)cc2F)cc1[N+](=O)[O-] 920855005 UVFSEJHVRCHAFW-UHFFFAOYSA-N 485.475 5.439 30 20 JKED O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1O 920945724 BKPAVXKNQDLPSY-UHFFFAOYSA-N 466.302 5.159 30 20 JKED C[C@H](CC#N)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)NC1CCCCC1 1761356328 FBGIBRVGWWTVCB-OAHLLOKOSA-N 471.030 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)c(Cl)cc2F)C1 1783056666 DBHGTMMMSFQVDV-HYBUGGRVSA-N 485.427 5.252 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C5CC5)on4)cc3)CCC2)c(Cl)c1 1785968255 RODHJXLDBNSIEQ-UHFFFAOYSA-N 460.921 5.139 30 20 JKED Cc1ccc(OCCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)cc1 1785969250 MQGUBRNTOHZMGZ-UHFFFAOYSA-N 453.542 5.084 30 20 JKED O=C(NC1(c2ccc(NC(=O)c3cnco3)cc2)CCC1)c1ccc(C#Cc2ccccc2)cc1 1786527133 IXAWTDNRPSWIJE-UHFFFAOYSA-N 461.521 5.136 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(Cl)cncc4s3)cc2)CCC1 1788312304 USTAIZBAFSPRDC-HNNXBMFYSA-N 485.009 5.498 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C[C@@H]21 1788527833 YQYHNUUKDQELJJ-XZQSQWLPSA-N 499.655 5.176 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CCC1 1788877484 XZEGXYZVEZOACM-SFHVURJKSA-N 487.984 5.150 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789201329 XBOUXCHSNIDFSN-HHHXNRCGSA-N 499.627 5.238 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)cn3)CCC2)cc1 1789456491 VIXSRUDCPGWQBX-FQEVSTJZSA-N 468.395 5.360 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)CCC2)cc1 1789496457 WSQBSAKOVMLWCN-OAQYLSRUSA-N 490.522 5.035 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)n(-c2ccccc2)n1 1790287797 WPDKCWDPHRHHBF-UHFFFAOYSA-N 475.552 5.114 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCc4cccc(Cl)c43)cc2)CCC1 1791141731 ZWNONDLDVHMXRE-UWJYYQICSA-N 467.997 5.305 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc(C4CC4)on3)CCC2)cc1)c1ccc(O)cc1 1791646757 UDKBMWWICHILBE-OAQYLSRUSA-N 483.568 5.203 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3Cl)CCC2)cc1 1791729124 XLQNWTPMMARXHD-UHFFFAOYSA-N 488.813 5.439 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4CNc5ccccc5O4)CCC3)cc2)c1 1792124774 HNNJBPHBXFFLDK-CJFMBICVSA-N 494.595 5.325 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCc3cc(Br)ccc3F)CCC2)cc1 1792262472 FVCSOFKXYGVMRG-UHFFFAOYSA-N 471.370 5.068 30 20 JKED CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2Cl)C3)cc1Cl 1800314072 NBHKQIUWBPKOPH-REPLKXPHSA-N 486.399 5.218 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cc4c(Cl)cccc4s3)[C@@H]2c2cccnc2)C1 1802413876 KWJVKAKHLPARQT-GAJHUEQPSA-N 466.006 5.236 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)[C@@H]2c2cccnc2)C1 1802416035 MHCWCYSBBYIROC-LBNVMWSVSA-N 483.587 5.097 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1 1808389447 LWVUCMKQUBBPCS-HXUWFJFHSA-N 475.633 5.671 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4)[C@H]3c3cccnc3)sc2c1 1811888437 CUAYXFUGPIOKAW-JYFHCDHNSA-N 480.593 5.110 30 20 JKED C[C@H](CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1)c1ccccc1 1812734922 SJRXZYZNJXGKBH-VQEMNGCCSA-N 487.003 5.120 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2c2cccnc2)C1 1813975922 IBQGDZPVYLNNQR-BTYIYWSLSA-N 478.807 5.328 30 20 JKED N#CCCC(=O)N1CC[C@H](CNC(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814148074 HHVREQPPEUCBJO-GGXMVOPNSA-N 474.649 5.365 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)nc2)n[nH]1 1816495960 JTAJJGDXEGDMCD-QGZVFWFLSA-N 463.504 5.122 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)n[nH]2)C1 1817766049 HVHJUKFXGUJZOV-QFIPXVFZSA-N 477.515 5.022 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)CCCC3=O)n[nH]1 1818691632 KZGZREZQVJRAKV-REWPJTCUSA-N 460.578 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3cc(Cl)ccc23)n[nH]1 1819163712 QLPADJGRHWFXLP-LJQANCHMSA-N 468.989 5.238 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1819258564 GZFQGOXNQPIUBJ-XGHQBKJUSA-N 493.658 5.585 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820101267 QKZRNDZUGYZJSX-NRFANRHFSA-N 473.602 5.377 30 20 JKED Cc1cc(Br)sc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1 1820484373 LXYHBMZTBSHPBV-QGZVFWFLSA-N 498.406 5.034 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1821922734 OUJIGFSLTVZPJJ-HRAATJIYSA-N 473.602 5.691 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[nH]n1 1822585284 PIVCBJRZYAURDC-ZOBSEURRSA-N 457.578 5.099 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823217543 MHXRWXOHZXHWNW-DFBJGRDBSA-N 485.588 5.445 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2F)CC1 1823930355 IIEXMFGTLQDZRR-KKSFZXQISA-N 465.407 5.034 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824056459 CFVFPHWEHRSSIN-QHCPKHFHSA-N 496.076 5.132 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cc(C)ccc2C)CC1 1824139747 QJZNSKKADXJHBK-RUZDIDTESA-N 452.639 5.070 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccncc2-c2ccccc2)CC1 1824143457 ODWVELLKDIBCLE-NDEPHWFRSA-N 471.645 5.750 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1824393046 WQZSNOOYBPDJRU-QFQXNSOFSA-N 475.658 5.167 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2Cl)CC1 1824879504 BRRQQPKPLDKQKW-UPVQGACJSA-N 461.021 5.410 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1824961012 CURNCFMZNOVXKG-QHCPKHFHSA-N 472.054 5.041 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)oc2C)CC1 1825950617 ABDAJMQGAZCMHO-HXUWFJFHSA-N 450.570 5.330 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827328841 TXZZBEGVQCMZSU-SANMLTNESA-N 477.674 5.210 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)ccn1 1827680034 FZTIKWUKDKIJIH-CZQLGGELSA-N 493.673 5.113 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827874917 YYNBFTPGGJFRCL-BDYUSTAISA-N 471.645 5.750 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1828828562 LWWSMMRRTNGPCP-URXFXBBRSA-N 465.663 5.606 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1828829479 IJUZQUGGKRHEPX-CWBXHPNXSA-N 468.604 5.743 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)[C@@H](C)S)CC3)ccc21 1829695865 UAINCWQFGVAOTP-DVECYGJZSA-N 477.674 5.366 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765658 JSMUTMBFEOUQTI-QFIPXVFZSA-N 490.982 5.175 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(F)c(OC)c2F)CC1 1830710312 IOJDJNTWBYGRCP-HXUWFJFHSA-N 492.607 5.208 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 1830806188 OHOKDZMFRQQQJP-SFHVURJKSA-N 485.934 5.022 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)CC1 1830944089 IBGVSGSFCFVWAY-XMMPIXPASA-N 463.622 5.178 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1831373359 CODGWBXHGKVWRG-KBMIEXCESA-N 456.602 5.060 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1832028602 RTTAPYYNGDMIJI-CCDWMCETSA-N 455.042 5.257 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)cc3F)CC2)c1 1832633632 KQEGJLVIJHILQQ-NIYFSFCBSA-N 479.571 5.068 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1832679443 ROQZBRJQFPVWKF-DQEYMECFSA-N 460.622 5.078 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(C(F)(F)F)c3C)CC2)CC1 1835819947 GUNHAGOKJMCQCH-UHFFFAOYSA-N 493.614 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3csc4c3CCCC4)CC2)CC1 1838315071 JJVVIKCYHBWQMQ-UHFFFAOYSA-N 472.695 5.232 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ccc(C)o1)C2 1845227137 PPUUNKPOOQBEOM-NRFANRHFSA-N 489.657 5.049 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2C(F)(F)F)cc1 11157280 HNZIPDMGJZMYBE-UHFFFAOYSA-O 480.482 5.388 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc(Br)c1)=C(/S)Nc1cccc(Cl)c1C 11257079 XNPSYNILMHNDEN-UHFFFAOYSA-O 488.858 6.312 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)n(-c2ccccc2)c1C 11330010 IAROTSYUWWGKMW-UHFFFAOYSA-N 476.993 5.146 30 20 JKED Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)o1 16659294 FSVJIOIXQGVFCI-UHFFFAOYSA-N 457.559 5.114 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 21514509 KSMPOTWXVHYPEY-UHFFFAOYSA-N 454.688 5.972 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(OC)cc2)cc1 22731201 CSNSEKFMQHUGSI-UHFFFAOYSA-O 464.655 5.893 30 20 JKED C=CCn1c(SCC(=O)OCc2nc(-c3cccs3)oc2C)nnc1-c1ccc(Cl)cc1 22990637 HUXXXVQHQTUCAG-UHFFFAOYSA-N 487.006 5.645 30 20 JKED Cc1sc2[nH]c(CS[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)nc(=O)c2c1C 24080354 UOQKEQNDZIZMQO-CYBMUJFWSA-N 472.661 5.064 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)n1 26529806 MUBPSSPXMYXILA-OAQYLSRUSA-N 485.487 5.159 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 60322997 LDGVHUDUVJPGLG-UHFFFAOYSA-N 453.523 5.703 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(C(=O)NCc2ccco2)c1 71973704 LOBVGZRBLJYLFP-UHFFFAOYSA-N 467.550 5.162 30 20 JKED Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c12 107875843 MDIATTAVICOWMO-OAQYLSRUSA-N 455.949 5.715 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2cccc3ccccc23)c1 195679545 AHOYOGLKUGMKFP-UHFFFAOYSA-N 451.551 5.372 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 303341060 LNXZDCPQHNYEIH-CQSZACIVSA-N 460.386 6.614 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1Cl 480126922 UEACDOGVTFVVER-FYYLOGMGSA-N 459.933 6.093 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 487836041 DTRZWWNKQYSDMI-UHFFFAOYSA-N 480.515 5.703 30 20 JKED Cc1ccsc1CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccc(F)c(Cl)c1 498317248 WJAKUPIYSDJINY-UHFFFAOYSA-N 491.009 5.774 30 20 JKED C=CCN(C(=O)c1sc2cccc(F)c2c1COC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 500294405 YQJOUWITKVASGY-UHFFFAOYSA-N 483.546 6.051 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)c2)c1 503083856 PBZNPYPCGNAPHH-UHFFFAOYSA-N 490.548 5.372 30 20 JKED Cc1csc(-c2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)n1 506132042 QCBJAIOYLLICBG-UHFFFAOYSA-N 458.503 5.056 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1nnn(-c2ccccc2F)c1C(F)(F)F 508963642 SWFSXEBOHSPMDJ-UHFFFAOYSA-N 494.342 5.095 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1Cl 510022695 GCUWZLJLKFORLR-ZEQKJWHPSA-N 452.945 6.302 30 20 JKED COc1ccc(-n2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)n2)cc1 510825257 GZVNHMPUUWSUIX-UHFFFAOYSA-N 453.502 5.175 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OC[C@H]2CCCCO2)nnc1-c1ccc(Cl)cc1 511378705 OJWUCDIROHKCEN-HXUWFJFHSA-N 499.036 5.463 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)n1 512959186 VSELXUMERUWXFR-QGZVFWFLSA-N 459.552 5.600 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 515671977 MRPYTCXPCUSEDD-UHFFFAOYSA-N 464.550 5.287 30 20 JKED N#Cc1ccc(N2CCN(C(=O)c3oc4ccccc4c3CSC3CCCCC3)CC2)nc1 515987313 DPFDKHYAPACCOT-UHFFFAOYSA-N 460.603 5.228 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 517456257 HOIQBEVLAVQFPL-AWEZNQCLSA-N 472.433 6.006 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2cccs2)cc1 517466485 QDWRNQUJZRACQU-KOSHJBKYSA-N 477.655 6.112 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3oc4ccccc4c3COc3ccccc3)CC2)c1 517860510 ZQUZSSOHCTVTGH-UHFFFAOYSA-N 452.510 5.567 30 20 JKED CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1OCC(=O)N(C)C 519052986 SKFPJWVEKWOOAJ-DEOSSOPVSA-N 472.545 5.090 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1cc(Br)cs1 519433800 CWPXSRCXUAGTKF-UHFFFAOYSA-N 463.344 6.106 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(Cl)c1 519438794 XADDXVPNSXGPPW-UHFFFAOYSA-N 483.943 5.397 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 520688769 KAXLGYXCLMGHED-UHFFFAOYSA-N 499.592 5.462 30 20 JKED C=CCN(Cc1nnc(-c2c(Cl)cccc2Cl)o1)S(=O)(=O)c1cccc(C(F)(F)F)c1 522619843 DBEXMLMKLVZOKQ-UHFFFAOYSA-N 492.306 5.439 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2)cc1 524077013 MQPPFXUBRSDLLD-QHCPKHFHSA-N 454.551 5.887 30 20 JKED C=CCn1c(SC[C@H](O)COc2cc(Cl)ccc2Cl)nnc1-c1ccccc1F 588635896 LLKSMHRVJMAFJT-CQSZACIVSA-N 454.354 5.109 30 20 JKED O=C(NC1CCN(C(=O)CC(F)(F)F)CC1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 588867429 HFNGNZMNGHXAFI-UHFFFAOYSA-N 476.392 5.185 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1ccco1 594527039 BIFVMPMYWPSKSE-AQCRLBJHSA-N 475.618 5.574 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2CC(C)C)cc1 597297751 WLEURMOOEDJPGD-FAFRJYIDSA-N 469.655 5.021 30 20 JKED Cc1cccc2sc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c(Cl)c12 602097619 SSTLAGNBAZAHAI-UHFFFAOYSA-N 457.005 6.131 30 20 JKED CCOc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c([N+](=O)[O-])cc1OC 603613725 PMKGTHIPWOVHDQ-CQSZACIVSA-N 492.340 5.922 30 20 JKED CC(C)OCc1cccc(CNC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1 603904801 USNGZCBYEYIXHV-UHFFFAOYSA-N 461.587 5.035 30 20 JKED CN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCCc2ccccc21 604160737 SOXOAYCWKCKFMV-NOZRDPDXSA-N 457.961 5.470 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1ccnc(Oc2ccccc2)c1 604420843 BTKDQNSQHQDKEW-UHFFFAOYSA-N 478.508 5.101 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 608797457 RGNCYNFIZOIVIE-UHFFFAOYSA-N 480.524 5.035 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 609060551 HZPXKQZMQJSQKE-UHFFFAOYSA-N 470.510 5.730 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 609061131 SPJHJYNLLSCMGR-UHFFFAOYSA-N 487.357 5.646 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 609071110 RPRRVQYLOVDIGI-AREMUKBSSA-N 486.568 5.319 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccnc1OCC(F)(F)F 609078173 FHJQHYZJLRCVLI-UHFFFAOYSA-N 470.451 5.104 30 20 JKED CCOC(=O)C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc(F)cc1 609078780 NPBGCXJWIISQSI-RUZDIDTESA-N 475.520 5.401 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)cc2)c1 609172445 BIMAZADCASLVKZ-UHFFFAOYSA-N 463.493 5.281 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2Br)on1 609358374 KEAZMSHAOPOKHR-UHFFFAOYSA-N 457.328 5.005 30 20 JKED O=C(NCc1ccccc1OCC(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 615871996 XMLVRJNCHVLWMT-RYUDHWBXSA-N 466.344 5.336 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618540476 QFMRTVTUEZWRSD-VXGBXAGGSA-N 474.327 5.486 30 20 JKED CN(C)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 618541765 IOIULXUMOZLQTL-NXEZZACHSA-N 451.333 5.366 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(F)cc1 619097196 MUEUFRSYKCUAAD-QZTJIDSGSA-N 460.578 5.781 30 20 JKED C[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(OCC(F)(F)F)cc1 620001967 IOGKYWDKAUDRBA-DRZSPHRISA-N 480.371 5.897 30 20 JKED N#C[C@H](C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1 620304484 DDRCSONRVXRCMT-LJQANCHMSA-N 494.544 5.552 30 20 JKED O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622150816 AQDUKKQPDBAYPG-LALPHHSUSA-N 460.365 5.438 30 20 JKED N#C[C@@H](C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)c1ccc2ccccc2n1 624443403 BGNJZOXPJHZYJZ-JOCHJYFZSA-N 495.604 5.845 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 626590312 ZSAQADZKQMCFSA-UHFFFAOYSA-N 460.481 5.697 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 645079442 IIDSIOSWGZERPC-TVKQPGBESA-N 463.047 5.118 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)c2ccccc2)nnc1-c1ccc(Cl)cc1 677075152 YWJMONIAFHAGRN-UHFFFAOYSA-N 464.978 5.703 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 725995276 CSSPYGJJQINZEQ-HEOKHYPTSA-N 479.524 5.305 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccccc2)C1=O 726113618 ZHWMAWVCKTVHRK-XMQMNSMNSA-N 493.032 5.115 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccsc2)cn1 726117526 CDIFFXIAKCQOBC-IBGZPJMESA-N 488.038 5.087 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 726395588 ACHSYQKZHQXGMQ-JTSKRJEESA-N 471.598 5.334 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)cc(C)c1 726399226 MXPWCGKLOGGFJC-NZQKXSOJSA-N 467.635 5.306 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccccc2)cc1Cl 726408493 FNPPFJBMCWWMOP-QHCPKHFHSA-N 489.000 5.050 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)c(F)c2)cc1F 726409483 AYIDBAHXFVBFMP-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(OC)c(F)c1 726411030 KDUYJDZZHOSUMA-MRXNPFEDSA-N 470.353 5.121 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N([C@@H](C)c2cccnc2)C1=O 726421435 NAEDDTXJKYHMCK-AJFFZHMISA-N 494.642 5.303 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S/C1=N/[C@H](C)c1cccs1 726421738 PEQXVYPADQYTQW-OGZKHHNDSA-N 451.564 5.072 30 20 JKED CCCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2sc3ccccc3c2C)cc1 726569817 LHFGJUHNZKARBC-UHFFFAOYSA-O 488.658 5.956 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Br)cc2)[n+]2ccc(CCC)cc2)c1 726572389 BFUVIPAFOVWJEU-UHFFFAOYSA-O 478.435 5.994 30 20 JKED Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 727058305 KMZBKTXMISXIKL-UHFFFAOYSA-N 481.528 5.014 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)c(C(F)(F)F)c1 727362414 NQJPGIBKVFBVOI-NRFANRHFSA-N 460.477 5.044 30 20 JKED N#CCOc1ccc(CNC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)cc1 727677554 FNHXQZVNITUQCP-MNDPQUGUSA-N 451.551 5.615 30 20 JKED COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2cc4cnn(C(C)C)c4nc2Cl)CC3)cc1 727780350 MAXDPQJWRGWOOY-GDNBJRDFSA-N 464.978 6.010 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)cc1 728123877 IGQPQZUDUYLRKN-UHFFFAOYSA-N 476.895 6.044 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1=S 728287299 ZTXTZMAWBMTQDR-UHFFFAOYSA-N 463.607 5.183 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 728300187 ZBEKQCOFQOXGRI-AWEZNQCLSA-N 491.872 6.388 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1[C@@H](C)c1ccccn1)c1cccs1 728429843 KSHFHMDNLBVDOT-OUTUCMPNSA-N 489.626 5.166 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1[C@@H](c1ccc(Cl)cc1)C1CCC1 729144936 HDHLLHYGODIHBW-LADGPHEKSA-N 493.032 5.353 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729177146 SJMKKHLLPTXVTH-SXOMAYOGSA-N 451.570 5.280 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1OC 729433467 FQGVOMZSIRGPSV-XMMPIXPASA-N 487.987 5.674 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ncccc3C)C2=O)c1 729634672 QPEWZQREQXIYOR-XMMPIXPASA-N 488.613 5.176 30 20 JKED CC[C@H](C)Oc1ccccc1/C=C\C(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 729889528 PEPXYXLLYGZTMH-HGORHXPCSA-N 454.526 6.017 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C3CCC3)C2=O)c1 730458581 AQMAYYGBEDENDD-IBGZPJMESA-N 477.508 5.227 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCSc2ccccc2)C1=O)Nc1cccc(O)c1 731305882 HOPTXLQOYBGZDJ-QFIPXVFZSA-N 477.611 5.145 30 20 JKED N#Cc1ccc(NC(=S)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl 731317350 DNWBUUKICGLCNF-UHFFFAOYSA-N 453.826 5.469 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1F 743524115 HEDNCWBIGRRHBF-OAQYLSRUSA-N 475.561 5.050 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cccc3cccnc23)C1=O)NC1CC1 744993453 HZCCOSDGHBFCCK-XMMPIXPASA-N 480.593 5.188 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cc(Cl)cc(Cl)c1 745990929 KUZCFDPKVOMDNA-SFHVURJKSA-N 464.374 5.148 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2nccs2)c1 747602018 XVEFDBHAYHKTFU-HXUWFJFHSA-N 482.606 5.102 30 20 JKED C=C(C)CSC1=N/C(=C/c2ccc(O)c(OCC)c2)C(=O)N1c1ccc(OC(F)F)cc1 780056376 UEORLAKTDORLBM-WOJGMQOQSA-N 460.502 5.445 30 20 JKED C=CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1nc(-c2ccccc2)cs1 821903974 GQNCQLIBTUZZSZ-UHFFFAOYSA-N 495.516 5.327 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccs2)cc1 837864553 FRPNRZWYVKZSIG-FQEVSTJZSA-N 471.554 5.495 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)cc1F 915112316 XCXBNFZVYVAYIV-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CCc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(OCC#N)c(OC)c3)s2)cc1 915113900 XQSAGEGVWNEXRX-ATVHPVEESA-N 454.939 5.001 30 20 JKED C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)C[C@@H](C)O1 915351757 BZAOHYDCQZCCFM-TYPXCFOJSA-N 468.601 5.273 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cc(C)ccc1C 916205274 NRDIRWODNRGNIE-IBGZPJMESA-N 461.509 5.469 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc2ccccc12 916217693 VAXXAQVKZIMHLE-QHCPKHFHSA-N 461.587 5.063 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1 916913415 FKIUUSZQCZTSJS-QHCPKHFHSA-N 465.557 5.248 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1Cl 916937611 IARDZOCGNJBPKQ-GFCCVEGCSA-N 453.734 5.831 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cc(C)n(C3CCCCC3)c2C)cc1Cl 916938495 MSISJPKDAHOKAH-ZUURVNMSSA-N 453.970 5.633 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 916974584 MYXDNOXWWNCCRJ-IBGZPJMESA-N 462.962 6.021 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc2cc(Cl)ccc2s1 917430336 HVEUVNCGDJWLFZ-HIFRSBDPSA-N 456.930 5.209 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 917668982 OLXFJANVYWDXRK-NRFANRHFSA-N 497.983 5.046 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)cc1 917678309 RXDVVPLYUBAZAR-SFHVURJKSA-N 497.564 5.137 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc(F)cc2F)cc1 917696730 OVQUBNPAWQHBNO-QFIPXVFZSA-N 494.498 5.136 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C2CCCC2)C1=O 917702629 HGZPALTXKYOICB-NRFANRHFSA-N 466.994 5.423 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1Cl 918293979 AHGPNLFPJGFKNQ-XMMPIXPASA-N 499.954 5.462 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 918487597 RCQMAOAJGCCSAW-FQEVSTJZSA-N 496.748 5.316 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 918548093 KRGWVEZXAKRFML-AREMUKBSSA-N 467.548 5.968 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)c1 919818231 ATDBTOQIULYLJD-UHFFFAOYSA-N 487.357 5.994 30 20 JKED CCN(C(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1)[C@@H](C)c1ccc(C#N)cc1 919863335 XVMDYQXHLZRNBZ-IBGZPJMESA-N 482.609 5.023 30 20 JKED CCOc1cc(/C=C2\CSc3ccc(Br)cc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 920069598 VNVQVOMQWGTEOQ-DWKHYPNZSA-N 490.419 5.075 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(OCc2cccc(Cl)c2)c1 920109304 CVMICVSAEXPMDF-IBGZPJMESA-N 473.743 6.187 30 20 JKED N#C[C@H](C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)c1nc(-c2c(F)cccc2F)cs1 920804543 UUBUQOIPFVYLFD-ZFOVBUMHSA-N 466.509 6.706 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(Cc2ccc3[nH]c(C)c(C)c3c2)C1=O 920826859 UIDJATBLISJODB-OAQYLSRUSA-N 469.010 5.014 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCOCC(F)(F)F)C1=O 932756708 BWPLFAZFKDPVEQ-SFHVURJKSA-N 499.942 5.188 30 20 JKED CCOC(=O)c1sc2nc(/C(Cl)=C\c3ccc(OC)c(OCCCC#N)c3)nc(O)c2c1C 1251375327 GQXMVNUXSYEEBB-RVDMUPIBSA-N 487.965 5.310 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occc4n3-c3ccccc3)CCC2)cc1 1786361340 ZGONSDJOYXGQCV-FQEVSTJZSA-N 481.552 5.010 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3csnc3C)cc2)CCC1)c1ccc(O)cc1 1787193398 JUYOUQDWIJTQAM-HXUWFJFHSA-N 473.598 5.102 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CCC2)c1 1787353943 QJMFMHQGVYAGSS-UHFFFAOYSA-N 494.473 5.042 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CCCCn3cccc3)CCC2)cc1 1788650758 OQWIAIUCCJMCGZ-BUHFOSPRSA-N 475.614 5.293 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(Cl)cc(C)nc5c4)cc3)CCC2)C1 1789221413 ZDEYQOXIPRGOKL-UHFFFAOYSA-N 459.977 5.911 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789449164 OPISBBKAIQHKLH-OTUUDDROSA-N 493.648 5.287 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789934589 KTBYTMCQGPUNJD-FCFFNXBQSA-N 498.583 5.025 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ccncc45)CCC3)cc2)c1Cl 1790082573 GQVQGXFZAJGAEW-UHFFFAOYSA-N 480.955 5.821 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cc2)CCC1 1790137629 LHKZBBNUXDYKGA-KRWDZBQOSA-N 478.980 5.069 30 20 JKED CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1ccc(C2(NC(=O)C3(C#N)CCC3)CCC2)cc1 1790690194 KQMQJAQRZQXFFY-UHFFFAOYSA-N 488.588 5.475 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)ccc3OC)CCC2)cc1)C(F)(F)F 1791304695 KYHKJPQBIGWRHE-UHFFFAOYSA-N 452.860 5.215 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3nc4ccc(Cl)cn4c3C)CCC2)cc1)C(F)(F)F 1791305157 BRTUYQHQYUEMLD-UHFFFAOYSA-N 476.886 5.162 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1791563239 PYOSEWIEIJBNRD-XUZZJYLKSA-N 495.664 5.398 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)nn1C(F)F 1792124731 FNJVAFCWBFFGGN-MRXNPFEDSA-N 477.515 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)/C=C4\C(=O)Nc5ccccc54)CCC3)cc2)c1 1792125447 ZTNJGIPUUPCHOH-DWGAWOTKSA-N 490.563 5.097 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)c(F)cc2nc1Cl 1799206111 TZCBBQQSFNASHE-BJWYYQGGSA-N 475.967 5.411 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(C)C[C@@H]1C)C2 1800175887 WBVVXFYVXJHUBU-CDPJOAOYSA-N 491.717 5.315 30 20 JKED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccc(OCc2ccccc2)cc1)C(C)C 1802082724 SYOXRNKBMQXXOJ-BVXNIFABSA-N 472.629 5.057 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CCc3ccc(C#N)cc3)[C@@H]2c2cccnc2)CC1 1802391216 CNNUHVMNBZHRQW-VSUKXTEZSA-N 486.660 5.054 30 20 JKED C=CCC(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803222538 PLHFADJFBYCRHM-KXVKLCPVSA-N 466.025 5.291 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1804846284 PDTACLXSEZBDQC-SHQCIBLASA-N 484.644 5.697 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccnc3-c3ccc(OC)cc3)CC2)C1 1804859274 PYZJKLQJRNQRFO-UHFFFAOYSA-N 489.660 5.594 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)C1 1805098513 RGUBYTCVMXOHJU-UHFFFAOYSA-N 494.035 5.466 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2c2cccnc2)C1 1808489388 LBWQLGFWNZGVIH-NBGIEHNGSA-N 475.976 5.281 30 20 JKED Cc1cc2cccc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)[C@@H]3c3cccnc3)c2[nH]1 1809275847 PSXFSZRCWDCBHB-VRKFOXNMSA-N 491.595 5.132 30 20 JKED O=C(CCC(F)(F)F)N1CCCC2(CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)C1 1809482469 RCPGMUYPFVMJMP-UHFFFAOYSA-N 468.413 5.032 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1810271580 HZILWUGYNORHFP-IXCJQBJRSA-N 489.736 5.576 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2F)[C@H]1c1cccnc1 1810953963 UGQRNPODFQFGKV-AUSIDOKSSA-N 489.513 5.328 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)cc1 1811361093 VXCWNQCSARONOW-HYBUGGRVSA-N 486.622 5.057 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4cc(F)ccc4s3)[C@H]2c2cccnc2)cc1 1811361334 WVXITQLFBAKRPI-RLWLMLJZSA-N 498.583 5.135 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1812591441 XPQFKCZHANCJGB-NAYZPBBASA-N 467.613 5.589 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)CC1 1812790933 YXJHQICHMVEIQT-PAGNRNNLSA-N 493.051 5.533 30 20 JKED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1813043140 JWDLMDXLYSCKRY-LNBJVWSJSA-N 481.706 5.379 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(SC)cc2)[nH]n1 1814830247 UNXVAUFYZKGMTC-JOCHJYFZSA-N 452.624 5.135 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)n[nH]1 1817208462 HRKPWNJKWWRZDR-LGTAVNIZSA-N 487.648 5.548 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccsc3)n[nH]2)c1 1817527244 ZFBKOYWXVAHGET-VGOFRKELSA-N 461.591 5.037 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C(=O)c3cccs3)n[nH]2)cc1 1818117544 XDKGCYFNSMCAAP-AHBRUNABSA-N 476.602 5.015 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1818144576 GPYXIWWANXGZNA-HSZRJFAPSA-N 494.555 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2sc(Br)nc2C)n[nH]1 1818415908 QSBGSUQZDAYTTM-GOEBONIOSA-N 492.443 5.011 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)n[nH]1)c1cccs1 1818930328 IGQMOHNAXNIOLV-HJHRLNBLSA-N 494.661 5.509 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)[nH]n1 1819304099 ZEMXICRHTPZWSU-VQIMIIECSA-N 473.021 5.089 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1819492683 KZMPUQUCOBGWEB-QMUTUGEISA-N 477.952 5.246 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H](C)Oc2ccccc2)[nH]n1 1819555977 NCGNIKARZKEQGE-SIKLNZKXSA-N 452.599 5.252 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cncc(C(F)(F)F)c3)n[nH]2)c1 1819930921 ZFWWXKRBFOSICW-YCRPNKLZSA-N 496.493 5.070 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)[nH]n1 1820973590 LYIRZXRLINFQOD-KUHUBIRLSA-N 480.396 5.132 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)ccc1Br 1821241298 PAUZGPUVTDIDNI-OAQYLSRUSA-N 498.425 5.320 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1 1821789620 GKMZYIUDAFRWBE-HXUWFJFHSA-N 461.393 5.145 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1821985891 LCFBRMDFTBJBMO-OAQYLSRUSA-N 479.531 5.297 30 20 JKED Cc1ccc([C@H](C)C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1822067323 JSVMLVLAQGOPRN-OHUGHZGNSA-N 469.589 5.455 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1822388047 CEJFMYFZZNPPGU-QPPBQGQZSA-N 455.002 5.299 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823215808 GAYXWZMVPOEQFY-IERDGZPVSA-N 491.979 5.318 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)cc3F)n[nH]2)C1 1823303289 LFNKEHNGVZRUQO-SFHVURJKSA-N 451.329 5.128 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](CC=C)C(=C)C)[nH]n1)NC(=O)OC(C)(C)C 1823347779 FPQZAXHSYXGDIC-JAXLGGSGSA-N 499.656 5.030 30 20 JKED COC(=O)CCCCCCCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)C#N)[nH]n1 1823534072 DZQKHOFVAQJQQB-OAQYLSRUSA-N 487.645 5.026 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)nc2)CC1 1823625571 FQUKDSCUVXUVKV-JOCHJYFZSA-N 474.121 5.019 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 1823682800 COHZQEWADDWWGU-RUZDIDTESA-N 469.585 5.171 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 1823752458 UMVQVGSRCNEIID-OAQYLSRUSA-N 465.560 5.326 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2F)CC1 1823931448 BUXQCLYGMVDOBI-IERDGZPVSA-N 465.407 5.034 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cnc4ccccc4c3)CC2)c1 1824045862 HIWAEOKZOZCHND-MUUNZHRXSA-N 498.602 5.112 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)CC2)c(Cl)c1 1824920510 FCDYNOQRYSJYGU-RUZDIDTESA-N 494.010 5.316 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1 1828154866 ZULONIMAJQPJGH-FQEVSTJZSA-N 460.640 5.193 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828292525 BNSZALZLPAJCHN-AREMUKBSSA-N 474.004 5.106 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(OC)ccc3o2)CC1 1828526789 ZABGNMCTKYOELH-ZEQRLZLVSA-N 464.606 5.443 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1 1828820851 GMODWLZWXMLNEB-ISKFKSNPSA-N 461.021 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2OC)CC1 1828825756 YWMIAHBMDZKBOE-JWQCQUIFSA-N 452.639 5.016 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)n2C)CC1 1828828514 LFOICGWEVCPZNP-VQTJNVASSA-N 465.560 5.046 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3Cl)CC2)cc1 1829442124 GQYKXIQNVABJNE-QFIPXVFZSA-N 470.038 5.139 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccncc3-c3ccccc3)CC2)c1 1829490933 HJMHAJHNKRUYCH-GDLZYMKVSA-N 492.623 5.476 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471471 GPXRFZPEJQZNFQ-NRFANRHFSA-N 482.999 5.572 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723591 LAYHZYGFGYQHMP-FDDCHVKYSA-N 497.064 5.021 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2Br)CC1 1831319540 BCMFYDNXCXUXCN-JOCHJYFZSA-N 493.873 5.068 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1831374976 WKIJZZAYEIAMEU-VGSWGCGISA-N 465.009 5.323 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(CCCCC)s2)CC1 1831449450 ZTRMIIAVQMNQLD-LJQANCHMSA-N 467.626 5.321 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)CCCCC)CC1 1831462048 CVEXQFQORSUNSZ-XWGVYQGASA-N 491.717 5.292 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)cc1 1831727788 MCPDUWWZCVYBJB-MHZLTWQESA-N 486.591 5.045 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1831779664 GKINWRQXCAHYDY-XMSQKQJNSA-N 463.087 5.090 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2F)CC1)c1ccc(O)cc1 1831925176 WXUHZKWCKONYCI-QPPBQGQZSA-N 482.621 5.023 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3F)CC2)c1 1832397577 SAAZBPBIRZKDKH-IDISGSTGSA-N 475.608 5.319 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc4ncccc4c3)CC2)c1 1832629725 VPTMKJSEDTZGTR-KPURRNSFSA-N 494.639 5.338 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)c1 1832635193 WSNUJTOAOHSWNK-UUOWRZLLSA-N 498.549 5.275 30 20 JKED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 1832792551 LWIHGZXMRCPTRZ-MHZLTWQESA-N 499.655 5.069 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)CC1 1832826452 YYGGOPGCEDKNAI-XMMPIXPASA-N 497.561 5.414 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc4ccccc34)CC2)CC1 1835277597 STUZSYSFXIIPAQ-UHFFFAOYSA-N 461.650 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)CC1 1835489345 FSKNLISVYSTEMT-DNRSQYFGSA-N 471.730 5.157 30 20 JKED Cc1c(C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)C2)cccc1C(F)(F)F 1845514359 NNXAYGBJMBKJAD-UHFFFAOYSA-N 495.423 5.035 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CCCC12CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1846885666 HPLDULIAQOXUPF-HDJSIYSDSA-N 480.424 5.030 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nc2cc(Cl)ccc2c1=O 9085340 NZONNHJDSLBTKA-UHFFFAOYSA-N 483.018 5.669 30 20 JKED COc1cccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2C2CCCCC2)c1 10073765 BPIVRLOQIDYHFY-SFHVURJKSA-N 490.633 5.395 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(C)c2)cc1 10167613 XHJFKEDLDPMFCL-UHFFFAOYSA-O 451.681 6.915 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(C(CC)CC)cc2)cc1 10173967 BSDZWXVYAWAMTK-UHFFFAOYSA-O 487.689 6.816 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174065 XCRUGQSPDQFMOE-UHFFFAOYSA-O 463.476 5.625 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc3c(c2)CCCC3)cc1 11251936 MLWFJRJNQHZFCM-UHFFFAOYSA-O 490.649 5.036 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1nc(-c2ccccc2)cs1 14055308 FPACLGREXROENL-UHFFFAOYSA-N 499.558 5.900 30 20 JKED COc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 14202591 RPCSUKMFQIAZOE-RMKNXTFCSA-N 497.469 5.563 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)(F)F)cc2)[n+]2cccc(C)c2)cc1 14872561 DNHABLYKAXTOBR-UHFFFAOYSA-O 459.513 5.794 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1-c1cccnc1 18404963 SUCUDVMYUUQWJO-JOCHJYFZSA-N 492.004 5.660 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 21179341 OFHYPBDGYAUNMX-UHFFFAOYSA-N 497.001 5.038 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(Cl)c2)cc1 22730611 RFLPWFZVEQXMOD-UHFFFAOYSA-O 458.072 6.952 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23602870 UXJCBQMTQZCSQD-UHFFFAOYSA-O 488.649 6.582 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 24844184 ZQOHRLAZCOQSNH-UHFFFAOYSA-N 452.543 5.066 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 71834032 RFUREPXEZYSFSK-UHFFFAOYSA-N 483.572 6.086 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 97542549 FLMYNRNXQLTAQB-UHFFFAOYSA-N 495.436 5.437 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 117244287 RDRSRENISDHLGU-IBGZPJMESA-N 469.570 5.519 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)nnc1-c1ccncc1 255929951 RAHBNZHAHZMHOX-UHFFFAOYSA-N 476.631 5.522 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccc(Oc4cccnc4)c(F)c3)s2)cc1 409638480 MQQNLZDNYKZQSO-UHFFFAOYSA-N 459.506 5.254 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)c1ccc(C#N)cc1 481132553 XIFMPXQWIHDZMQ-HNNXBMFYSA-N 480.387 5.288 30 20 JKED COc1cc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c(OC)cc1Cl 482387802 RKGSKDUHHWWLIR-UHFFFAOYSA-N 469.950 5.103 30 20 JKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)c2)cc1 485052974 UZURYXKMCPBRFD-UHFFFAOYSA-N 464.440 5.290 30 20 JKED C=CCc1cc(CNC(=O)c2ccccc2SCc2cn3ccccc3n2)cc(OC)c1OC 497445745 WTGBKOXMQBXBFU-UHFFFAOYSA-N 473.598 5.302 30 20 JKED C=CCn1c(SCC(=O)N(CCC)Cc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 500006499 LKMZWWNPIJIYLU-UHFFFAOYSA-N 466.010 5.187 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1nnc(SCc3ccc(C#N)cc3)s1)O[C@@H](C)C2 500123266 LEHZIRFRUOQPHR-DCPHZVHLSA-N 492.626 5.166 30 20 JKED C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(C#N)cc1 505309367 BNWHYJQNPVXBRK-HNNXBMFYSA-N 452.436 5.712 30 20 JKED CCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 506332171 MEYYMTVIHMDZHU-UNMCSNQZSA-N 458.953 5.701 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 510196818 IJKFSCDCVKJIOT-FQEVSTJZSA-N 454.599 6.161 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(Cn3ccccc3=O)cc2)cc1Cl 510641565 SFFKILIHUJMFTE-VWLOTQADSA-N 482.971 5.527 30 20 JKED CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511358069 AEEZMSANWHJARJ-UHFFFAOYSA-N 451.530 5.181 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)CC(C)C)cc1 511944259 VYZMNYLIZSXLRF-VWLOTQADSA-N 483.568 5.297 30 20 JKED C[C@@H]1CCc2[nH]c3ccc(C(=O)[C@@H](C#N)c4nc(O)c5c6c(sc5n4)CCCC6)cc3c2C1 513676457 FUAHURMQCTYSLG-FZKQIMNGSA-N 456.571 5.372 30 20 JKED COc1cccc(/C=C\c2cc(C(=O)N(C)C[C@H](C)C#N)c3cc(Br)ccc3n2)c1 516802276 CCMUIGUUJWYKTR-DZFYGRHCSA-N 464.363 5.408 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1nc2ccccc2o1 517793551 UWHRFTHQWTUJAH-GOSISDBHSA-N 460.287 5.333 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3s2)c1 518360624 LJXCKEOMHSQPIX-FQEVSTJZSA-N 480.549 5.656 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 518874676 YTKXPPWQVJULJN-SANMLTNESA-N 471.557 5.881 30 20 JKED Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1C 519125764 ZUSKQMDSEWBQHL-UHFFFAOYSA-N 489.597 5.007 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1C 519431927 WUMNIUHOHLWQOP-ZDUSSCGKSA-N 453.486 5.126 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 519485299 RPRJULMZGVHJKQ-ZOCZFRKYSA-N 474.388 5.156 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 519914130 HZMBVGZAHKPFPO-JTQLQIEISA-N 454.342 6.133 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1C 519942169 BCQYKWQDVMALNH-UHFFFAOYSA-N 466.589 5.176 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1Cl 521543802 XBPFGEOAEIBXHN-ZCYQVOJMSA-N 457.961 5.592 30 20 JKED Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 523184730 UEFQVVBUYNCBKS-UHFFFAOYSA-N 484.528 6.309 30 20 JKED CCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCSc2ccc(Br)cc21 557581386 HGMFFOAHBGLBLM-HNAYVOBHSA-N 490.492 6.792 30 20 JKED CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc21 569145664 NFELOFUFFRQJDC-UHFFFAOYSA-N 485.609 5.874 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1csc(-c2c(F)cccc2F)n1 586801668 FKFWBXFYOZDLBZ-IUCAKERBSA-N 458.374 5.728 30 20 JKED O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590534552 BRRJIQAWKVXPTN-BETUJISGSA-N 476.339 5.035 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)c2)cc1 603814321 UQIKJPKWYZCDGQ-UHFFFAOYSA-N 499.574 5.891 30 20 JKED CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 603908171 KSCDVLXHXPSNKN-GOSISDBHSA-N 486.572 5.098 30 20 JKED CCc1cc(C#N)c(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)s1 604029003 DJNUKIGEHDLEJN-UHFFFAOYSA-N 468.376 5.378 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 604155605 ASKRWGKUUOFWRY-HXUWFJFHSA-N 486.786 5.899 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2C#N)C1 604276960 ZKIXZAMINXOVFL-AGIUHOORSA-N 467.479 5.136 30 20 JKED Cc1noc(-c2ccc(C)c(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)n1 608785301 SBCDTASISGQRES-UHFFFAOYSA-N 455.493 5.599 30 20 JKED N#Cc1ccc(NCC(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 608877962 FEPYGTAKGHIVPP-UHFFFAOYSA-N 453.424 5.272 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 608879249 VTBNGWFGOVCWEG-OAQYLSRUSA-N 483.637 6.426 30 20 JKED Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 608895406 GAJOTGWXCSQPSN-UHFFFAOYSA-N 452.539 5.639 30 20 JKED C[C@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)NC(=O)C1CCCCC1 608937816 LFNOTMINODGCFF-CQSZACIVSA-N 478.540 5.038 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)CC2)c1 609184907 FNCGABRSRAJKTH-UHFFFAOYSA-N 490.947 5.416 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nc2cc(Cl)ccc2c1=O 609370080 YHXBPYGDZJKTFP-OAHLLOKOSA-N 487.050 5.585 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2sc(C)c(C)c2c1=O 609371071 XLYDAUSTDQLKIG-AWEZNQCLSA-N 484.672 5.386 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3OCc3ccccc3)cc2)c1 609437365 OLJXYTWPGHXUMC-UHFFFAOYSA-N 477.520 5.184 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)nnc1-c1ccc(OC)cc1 613932638 HYUPYADWLSUAJG-DEOSSOPVSA-N 492.645 5.384 30 20 JKED Cc1cc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc(C(F)(F)F)n1 622517581 METFEFFPIAVJRW-AWEZNQCLSA-N 487.322 5.055 30 20 JKED O=C(Nc1ncc(Cc2cccc(F)c2)s1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642449839 JKEADRBQJDPOGC-RYUDHWBXSA-N 469.426 5.904 30 20 JKED O=C(Nc1ccc(OCC(F)(F)F)cc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642470283 JILGCDJSSLVSNF-UWVGGRQHSA-N 452.317 5.659 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726114579 XZQZVVFVMPUHTI-FOIQADDNSA-N 485.610 5.134 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CC(F)(F)F)C2=O)cc1 726420977 NIGAYVVTQJWIIU-DBCSPBNTSA-N 455.527 5.009 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(C(F)(F)F)c1 726855252 YYENZTBHNGNSKA-NSHDSACASA-N 468.344 5.243 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 727592160 HNZOOCXRUPGYNR-UHFFFAOYSA-N 464.610 5.120 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\Cc3c(F)cc(Br)cc3C2=O)cs1 727780067 GIMKWJFVGTWSOM-WUXMJOGZSA-N 491.769 6.205 30 20 JKED Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)NCc1ccc(OCC#N)cc1 727936708 WVKFNUBJQXJBAZ-UHFFFAOYSA-N 482.462 5.490 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(SC)cc1 728390414 KOZVAAUUJBQYCG-ZEQRLZLVSA-N 459.571 5.490 30 20 JKED C#Cc1cccc(N(CC)C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)c1 728480779 KYWGUAVBQPBESZ-UHFFFAOYSA-N 466.541 5.098 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2CCCCC#N)cc1 728779319 YCILFXATXQCURN-HXUWFJFHSA-N 499.434 5.412 30 20 JKED N#CCc1ccc(NC(=O)COC(=O)c2sc3cc(Br)ccc3c2Cl)cc1 729874210 YSMGBMRLXODGHT-UHFFFAOYSA-N 463.740 5.179 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(Cl)cc(Cl)c3)N(Cc3cocn3)C2=O)cc1 730720865 OFAVMYJVTNSZTH-IBGZPJMESA-N 489.384 5.450 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(Cc3cocn3)C2=O)c1 730721284 RQLPEDAECIXXFF-FQEVSTJZSA-N 498.992 5.114 30 20 JKED N#C[C@@H](C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 731136373 PVPXJDZIQAFUGX-SFHVURJKSA-N 489.416 5.003 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)c2cccnc2)c1 731305835 GVMWTBIMYYJWLG-MBSDFSHPSA-N 474.586 5.126 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(F)cc3F)C2=O)cc1 745585654 ZHBBPHSGPODPLB-QHCPKHFHSA-N 490.535 5.305 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 746695074 BLVPHSAJZMCLMM-OAQYLSRUSA-N 492.016 5.565 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 746999071 IMXWTXMKMNZNLI-HSZRJFAPSA-N 476.374 5.092 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)ccc1S(=O)(=O)C(F)F 747066550 MVJYKNBKWBUHLB-SOFGYWHQSA-N 479.482 5.224 30 20 JKED Cc1ccc(/C=C2\CN(Cc3ccccn3)C/C(=C\c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] 747317522 XPQADFRAAPECKQ-LCHFAGMQSA-N 484.512 5.067 30 20 JKED COc1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1OCCCC#N 747473187 XXRIQWFFRMBKBJ-CPNJWEJPSA-N 494.516 5.682 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1OC 790686528 QHLTXQIVCIKOSF-POHAHGRESA-N 467.522 5.133 30 20 JKED CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1 904693223 TVPHOPXDLJOHRA-LJQANCHMSA-N 482.924 5.362 30 20 JKED CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl 912828343 GELCKTUZWJGOSF-UHFFFAOYSA-N 499.855 5.053 30 20 JKED N#C[C@H](C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1nnc2n1CCCCC2 915101170 QIHSPXLKYHIWOL-GOSISDBHSA-N 459.600 5.397 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1csc(-c2ccsc2)n1 915467526 VSHYRIDMSJCDBE-UHFFFAOYSA-N 479.377 5.027 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccccc1Br 916206471 ZCYMMYFWJZFUEJ-FQEVSTJZSA-N 495.402 5.005 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 916208157 VAQCFYSARQNSAA-HXUWFJFHSA-N 493.551 5.401 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccccc2)C1=O 916209982 XINCVBNDCNZYGP-HSZRJFAPSA-N 477.561 5.037 30 20 JKED COc1cc(C=Nn2c(S)nnc2SCc2ccccc2)ccc1OC(=O)c1ccc(F)cc1 916368644 LHOLCPYSDRFZHN-UHFFFAOYSA-N 494.573 5.108 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl 916904110 WIQPMHUMLXLBEM-CQSZACIVSA-N 453.753 5.498 30 20 JKED N#C[C@@H](C(=O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995722 GLODGBLNRBMTIB-AWEZNQCLSA-N 492.771 5.372 30 20 JKED CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 917047511 ZCTBBVYRNUYVTD-JKSUJKDBSA-N 476.783 5.156 30 20 JKED CCCOc1c(Br)cc(C=Nn2c(S)nnc2-c2ccc(OCC)cc2)cc1OC 917588512 DBULCJUIAXOPSV-UHFFFAOYSA-N 491.411 5.075 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1 917612111 HTEIOKJUWBDPPF-UHFFFAOYSA-O 484.551 6.038 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(F)c3)C2=O)cc1 917704005 PZFKIITVKCBSDX-HSZRJFAPSA-N 472.545 5.166 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CCCCC3 918709558 PWAFNJUWAVJRIC-UHFFFAOYSA-N 488.560 6.060 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)cc1 919454680 VLKSHASXTHAPPK-UHFFFAOYSA-N 483.837 5.230 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3C)C(=O)N2Cc2ccsc2)cc1 920170246 KVUGUCBNVOPAED-NRFANRHFSA-N 493.610 5.224 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2c(C)noc2C)cc1 920355806 PHZPIFGHCWNVCW-NRFANRHFSA-N 482.993 5.414 30 20 JKED Cc1c(C(=O)/C=C/c2ccccc2OCc2cccnc2)nnn1-c1cccc(Br)c1 920388665 HIIPBCRXUJRJHI-VAWYXSNFSA-N 475.346 5.208 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)COCC(F)(F)F)c(C)c1 921254916 UKTRFZNIBIPVOE-FXAWDEMLSA-N 493.551 5.231 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)c4ccccc4n3)CCC2)cc1 1786366228 SXBWCVGNKHTGGH-UHFFFAOYSA-N 457.574 5.274 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)o1 1786491928 GYZXAYVBNNKRSH-UHFFFAOYSA-N 478.346 5.284 30 20 JKED CNc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cc1 1788001363 ZYCJSOCSKUSSSF-UHFFFAOYSA-N 458.949 5.315 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)cc3)CCC2)c1 1788985643 XLPGDVIHLXWKCY-UHFFFAOYSA-N 470.479 5.379 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)cc1 1789010667 TXSJWTROIXRPOK-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5ccc(Cl)cc5n4)cc3)CCC2)c1 1789101211 XNJDIWLWMYBMTJ-SFHVURJKSA-N 497.986 5.676 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-c4ccccc4)c(F)c3)[C@H]2C1 1789287430 YICVYUFVBBKNNX-GVUKDKGQSA-N 478.608 5.078 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)cc1 1789324482 OBVMUNTUOWSPTP-UHFFFAOYSA-N 460.537 5.097 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)Cc3ccccc3C(F)(F)F)CCC2)cc1 1789577342 SSPNNJXAGARDRY-OKCVXOCRSA-N 483.490 5.094 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cnnc(Cl)c3)CCC2)cc1)c1ccccc1 1789601858 FPFCECBUSRGHQZ-QHCPKHFHSA-N 472.976 5.075 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cc4occc4n3-c3ccccc3)cc2)CCC1 1789994351 WTXQQENTNVALDB-UHFFFAOYSA-N 466.541 5.521 30 20 JKED CCOc1c(F)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc1Cl 1790148323 PTMNWXHZQKTOFW-UHFFFAOYSA-N 480.927 5.139 30 20 JKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1)c1ccc(O)cc1 1790508678 PVUXLZGXBJHKHO-LJQANCHMSA-N 453.542 5.010 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CCC2)cc1 1791578069 VTYZEPVZRMMTSH-KRWDZBQOSA-N 470.598 5.296 30 20 JKED Cc1ccccc1NCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792122871 TXIYJJWLAKWHCW-NRFANRHFSA-N 466.585 5.482 30 20 JKED COc1c(Cl)cccc1C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(C#N)cc34)CCC2)cc1 1792146859 CFLWKALYKGXDGH-UHFFFAOYSA-N 499.958 5.158 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(C#N)c1Cl)C2 1796471620 MOPJPEMIHMQKJV-WKCHPHFGSA-N 484.987 5.148 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)c(-c3c(F)cccc3F)n1)C2 1798333014 ONNROKCTNKMFRU-FCGDIQPGSA-N 483.534 5.186 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1 1800854467 NFVWLAKNSVCHGS-QEIWAGNOSA-N 485.534 5.263 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(Br)ccc1Cl 1801592147 XNHZXESDJCMXBI-ACDBMABISA-N 479.846 5.052 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OCc3ccccc3)c(OC)cc1C)C2 1801640656 QKPBGEVILAFVSU-OUJCMCIWSA-N 476.617 5.047 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1802744061 VDGAHDLNNDQBRQ-PQNGQFLHSA-N 451.998 5.131 30 20 JKED CCCCCc1ccc(/C=C/C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2c2cccnc2)cc1 1802995859 PPVINKHHNVZSPH-WHLXQMAOSA-N 495.627 5.047 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1803084786 WBMMBUGFAKIOFR-HOFKKMOUSA-N 468.601 5.026 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803089562 CCJLHDPQKVFVFG-ZJSXRUAMSA-N 496.533 5.060 30 20 JKED Cc1ccc(CSCCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@@H](C)C#N)c2)cc1 1803683767 HSCRXHPVMKKJTH-JTMVAAEOSA-N 475.658 5.197 30 20 JKED Cc1cccc(CCC(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1804037347 YFLYDPXUPQZNOQ-UHSQPCAPSA-N 489.736 5.080 30 20 JKED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCc1ccccc1 1804259308 KYRHREZXSPSVRG-YONCXUMGSA-N 480.697 5.070 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C[C@H](CC=C)NC(=O)OC(C)(C)C)CC2)C1 1804868767 OIJOQQCMTGZKLE-QFIPXVFZSA-N 489.701 5.070 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H]1c1cccnc1 1808951499 GEYFEABADMBMOY-AYWVHJORSA-N 488.591 5.030 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809445232 LRUFTXSTXRHSLC-IIBYNOLFSA-N 489.975 5.481 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1810172354 ASBQQXVDHAWSPW-MDNUFGMLSA-N 471.523 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCNc2ccc(C)cc2C)[C@@H]1c1cccnc1 1810369116 IBOBSWYJLCIEFS-IGKIAQTJSA-N 476.665 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1810503519 PSXMMNYEIRAEPP-URXFXBBRSA-N 482.694 5.583 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810717884 DZOJIQYWLAXJIZ-HRNNMHKYSA-N 489.641 5.148 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)C[C@@H](C)c3ccccc3)[C@@H]2c2cccnc2)c1 1813869910 UVOGYVHTZCVBBG-WYNANRDWSA-N 480.612 5.222 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815209351 FHVJYEARWVFFLP-WIOPSUGQSA-N 487.044 5.478 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cc(F)ccc2Cl)n[nH]1 1815574440 QGYZDYXEPVCLIQ-GHTZIAJQSA-N 458.965 5.205 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COc2cccc3ccccc23)n[nH]1 1815649058 KPCWGHSNFJEMAZ-XMMPIXPASA-N 472.589 5.402 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c1 1815790781 CDEZXKHMMXNVQP-YMQRMYCASA-N 492.583 5.537 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc3ccccc3c2)n[nH]1 1816826196 LFBCXBABYDSDKA-UKILVPOCSA-N 456.590 5.566 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)n[nH]2)c1 1818593592 ZNXXRRUCLFYRLD-JOCHJYFZSA-N 472.936 5.036 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)C(C)(C)C#N)[nH]n3)ccc21 1820225584 JSAXXXYAGSMVLD-XMMPIXPASA-N 482.588 5.393 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)[nH]n2)c1 1820306866 JGNPYHAXLMUOON-GOSISDBHSA-N 478.965 5.097 30 20 JKED CC1(C)CCc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4)n[nH]3)c2O1 1820485426 MDHGBLFHBVXYKS-QHCPKHFHSA-N 483.572 5.005 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)[nH]n2)c1 1820485981 PLBJKSDGHHFOKB-IBGZPJMESA-N 486.334 5.347 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n[nH]1 1821083463 NMFLXWHEYUSNRU-LJQANCHMSA-N 464.463 5.067 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)[nH]n1 1821987513 ATOPIBLMJMULBX-IBGZPJMESA-N 460.525 5.104 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)c12 1823216844 OYVAADWJNAQKCH-SBUREZEXSA-N 496.571 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)CC1 1823672886 NMSQCKOLBUPBLS-FQEVSTJZSA-N 466.453 5.614 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 1824030518 CKMAPJINVWNMDI-NXCFDTQHSA-N 452.614 5.317 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)c1ccc(Cl)cc1 1824249019 LUIJKZKAJMSVRN-DQEYMECFSA-N 481.040 5.213 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](S)C(C)C)CC2)c1 1824539009 KVFNFWBKVIDWMU-AOYPEHQESA-N 479.690 5.245 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1824545045 RTVYOMOJNYMURV-PMACEKPBSA-N 475.457 5.320 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc4ccoc24)CC3)c1 1827701100 RYNZNZKWIKOHDB-KXBFYZLASA-N 470.554 5.056 30 20 JKED CCCc1onc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1827844777 OVNNDTVZLYWDGF-NRFANRHFSA-N 483.012 5.008 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C#Cc3ccccc3)CC2)oc2ccccc12 1828125448 ZOKZGJQWLMXVQZ-VWLOTQADSA-N 454.570 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1830392031 ASFFUMGLCAENMR-DHIUTWEWSA-N 491.717 5.292 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830451951 NUPKAVVUFFNZPU-DEOSSOPVSA-N 467.560 5.193 30 20 JKED CC1=C(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CCO1 1830602129 RHDVZKZNWHWSLL-GDLZYMKVSA-N 482.624 5.014 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3)CC2)ccc1Br 1830687584 XQPIXMYFGAUJJU-HSZRJFAPSA-N 498.396 5.007 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C(C)(C)C#N)CC2)cc1Cl 1830782786 IIGUKLNEUKGZJA-OAQYLSRUSA-N 494.463 5.564 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)C(=O)CC3)CC1 1830898821 DEFBPZPWEPAPSE-XMMPIXPASA-N 450.623 5.041 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 1831205784 HHITUYGHGBSYGY-UIOOFZCWSA-N 486.100 5.331 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCc3cccc(Cl)c32)CC1 1831226370 VAPUQEJYWVKHFD-UPVQGACJSA-N 455.042 5.183 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc([C@H](C)C(F)(F)F)cc3)CC2)C1 1831236224 YPXCKSCTXBHNKS-CYFREDJKSA-N 476.583 5.481 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)CCC1 1831749625 AHQXHPOQIFMSQQ-QFIPXVFZSA-N 488.459 5.339 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1831842603 PKGLRKJSKVIOKI-LRDDRELGSA-N 480.955 5.050 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1831859357 OMWUFPBRRWFEJD-ZJSXRUAMSA-N 468.041 5.437 30 20 JKED C[C@@]1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC=CCC1 1832406650 KLGSHJKWQNXTFK-JYFHCDHNSA-N 487.566 5.557 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4n3C)CC2)c1 1832631383 DFVMDMQEODFOHG-ZBLYBZFDSA-N 482.628 5.352 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc4ccoc34)CC2)CC1)c1ccccc1 1838416868 UBHWQQFTTUBWPS-HHHXNRCGSA-N 498.623 5.242 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)CC1 1838423799 DLEVOEAZQGZOJW-UHFFFAOYSA-N 498.561 5.449 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cccc(C)c1 1847263472 PZEWDNOLNPSIRN-SGNDLWITSA-N 497.680 5.145 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2cccc(C)c2C)cc1 10168259 SHXGHXZJPIQTKL-UHFFFAOYSA-O 465.708 7.224 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1ccc(Cl)s1 10836445 IYEKHAMHNIZOSX-UHFFFAOYSA-O 458.799 5.752 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 10849778 WFPRSDWFMHRATK-UHFFFAOYSA-N 494.573 5.102 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)CCc2ncc(-c3ccccc3F)o2)n(C2CCCCC2)c1C 12102207 FKXNNKVOPCMLTM-UHFFFAOYSA-N 492.551 5.390 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccccc1OC 12477410 FTDUCMLDWZZTID-UHFFFAOYSA-N 478.622 5.110 30 20 JKED C=CCn1c(SC[C@@H](O)COCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 15241472 NBPRCKNBNCHCPU-SFHVURJKSA-N 494.842 5.217 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)c(OC)c1 16405572 DMLPJXWICGXIFN-XYOKQWHBSA-N 481.932 5.279 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)n1 17177191 KZJUGOXKAFREBY-QGZVFWFLSA-N 491.421 6.084 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2sc3c(c2c1=O)CC[C@H](C)C3 21176196 SINYMPXHRBZTQP-HNNXBMFYSA-N 496.683 5.115 30 20 JKED Cc1occc1-c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)n1-c1ccccc1 45699226 IPCMYWUGJSQSDR-UHFFFAOYSA-N 489.626 5.769 30 20 JKED N#CCCCOc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 59770358 ILQKXTGTNNBZMZ-UHFFFAOYSA-N 469.570 5.348 30 20 JKED COc1ccc(/C=C2/N=C(SCc3cccc(C#N)c3)N(c3ccc(OC(F)F)cc3)C2=O)cc1 209380728 AJNXIYPBSLHHDN-OEAKJJBVSA-N 491.519 5.845 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 303323137 UTEAIJMNJDGKRK-KRWDZBQOSA-N 464.974 5.983 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 487836893 FXPKPEJDZMLUMB-UHFFFAOYSA-N 478.474 5.078 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)Cc3ccccc3-4)cs2)cc1 498376290 OMIWFXWWJAGBGK-UHFFFAOYSA-N 499.617 5.711 30 20 JKED CCOc1c(OC)cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1OC 508284027 DREAQWFKNIWBEU-UHFFFAOYSA-N 477.517 5.097 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 508384302 UITCJIZOGFQPGT-UHFFFAOYSA-N 454.511 5.620 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)c2C#N)C1 508776239 ACOKMRXEDCMSEX-XBMUEBEBSA-N 455.668 5.574 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1 509671027 NHGIXDPKMNFNCO-UHFFFAOYSA-N 476.561 6.543 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 510193498 OSNKYGLOUVFJHH-LJQANCHMSA-N 473.598 5.454 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 510752774 YHWNSISWRHWCIE-KRWDZBQOSA-N 460.509 5.160 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 513654574 LZGNJXRGMNEWKI-CYBMUJFWSA-N 472.551 5.635 30 20 JKED Cc1nc(-c2ccc(CCNC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)s2)cs1 515102557 HMNRABAWCTWLTC-UHFFFAOYSA-N 465.629 5.463 30 20 JKED C=CCN(C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)c1nc2c(s1)CCCC2 515160482 RVDZJWACZZIGIB-UHFFFAOYSA-N 466.628 5.137 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4ccccc4)nc3O)s2)c(C(F)(F)F)c1 515429075 DBMDMCXDUODWJY-UHFFFAOYSA-N 480.471 5.644 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 517288491 QJGPYVVSFGPBPA-OAHLLOKOSA-N 460.921 5.771 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccc(F)cc2)cc1 517525016 FTTCTZGVWJSAOW-MHZLTWQESA-N 495.510 5.343 30 20 JKED C[C@@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 518108801 ZSIOOODKMXBFMD-HNNXBMFYSA-N 451.885 5.301 30 20 JKED CC(C)Oc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C(F)(F)F)c1 519182180 IDPVGMRFUZKTFB-UHFFFAOYSA-N 460.500 5.104 30 20 JKED N#Cc1cc(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)ccc1OCC(F)(F)F 519989846 RUHJEAOIUWASKZ-UHFFFAOYSA-N 474.483 5.340 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 520676125 OBFILVXKHXVKRA-NRFANRHFSA-N 467.569 5.713 30 20 JKED N#C[C@H](NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3)c1cccc(Cl)c1Cl 520888081 FJYRTHTYUSGODK-AWEZNQCLSA-N 493.441 5.197 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)cc2Cl)cc1 521454361 RRRHRRCHCYASTF-UHFFFAOYSA-N 486.915 6.171 30 20 JKED C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 521811948 ZYUWNRFHWKQYJD-OALUTQOASA-N 465.623 5.220 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 522424963 GIVZJVZPDVGXTB-NZQKXSOJSA-N 458.953 5.557 30 20 JKED C[C@@H](Sc1ncccc1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)N1CCCC1 522474156 HLZHZJOPURKZBA-GDBMZVCRSA-N 498.580 5.076 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)cc2Cl)c1 524440859 FCMZETHWMVZNPB-UHFFFAOYSA-N 474.948 5.086 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 524565127 IMAPZISDFUDHMN-ROUUACIJSA-N 476.577 6.212 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccc(F)c(Cl)c1 524582061 HSRPPXSCGSRZBB-GFCCVEGCSA-N 473.867 5.260 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 524707564 XGDGRRCPZXRQHD-SQHAQQRYSA-N 499.014 5.799 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3oc4ccccc4c3CSc3ncccn3)n2)cc1 587988740 MTUGBZDTPIHDTG-IBGZPJMESA-N 498.589 6.137 30 20 JKED N#C[C@@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ccc2s1 590651096 HIDXLLRWNCFRTI-HNNXBMFYSA-N 497.420 5.951 30 20 JKED N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)c(-c2ccncc2)n1 602762911 XFMPZPFYEJRWCL-XMMPIXPASA-N 454.921 5.283 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(COCc4ccco4)c3)cn2)c1 603692372 QSZGDXDQUUMUHN-UHFFFAOYSA-N 454.486 5.377 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(F)cc2I)cc1 604003136 FBHNGCYMFUHUBJ-UHFFFAOYSA-N 486.284 5.328 30 20 JKED Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(C)s1 604142807 XFTYAPIPXIIWLQ-CQSZACIVSA-N 453.951 5.498 30 20 JKED CN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604156193 SJVPEPLQWXFVMI-SFHVURJKSA-N 470.331 5.385 30 20 JKED COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 609139301 XNUUKGWWVUUGOH-HSZRJFAPSA-N 486.572 5.782 30 20 JKED CC(C)c1nc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)nn1-c1c(Cl)cccc1Cl 609186117 YEDFQIPLDKPYIF-UHFFFAOYSA-N 484.387 5.253 30 20 JKED C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609200282 RMPDOQXDLXSOMM-IVZQSRNASA-N 486.435 5.357 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 609388764 IUJCJACGZAVHNP-CQSZACIVSA-N 492.548 6.022 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 609402003 RHWCNZIQAZXYTD-AGIUHOORSA-N 453.452 5.969 30 20 JKED Cc1c([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)oc2ccccc12 609402772 PXENETDKLURKLC-CQSZACIVSA-N 475.492 5.582 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1cccc(Cl)c1 617898168 UZLKSAIHMXEOLE-CQSZACIVSA-N 461.856 5.348 30 20 JKED O=C(c1ncsc1C(F)(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517132 AJLUBMZFPNVGPJ-NSHDSACASA-N 478.336 5.413 30 20 JKED O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CC1 623951817 LZKSLONVWHFKEP-UHFFFAOYSA-N 494.363 5.065 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccsc2)cn1 726111156 JKJDYTISTQYSKC-JOCHJYFZSA-N 489.626 5.278 30 20 JKED CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc2c(c1)Nc1ccccc1S2 726424015 QSUOSQNDVIREOQ-UHFFFAOYSA-N 450.589 5.172 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(F)(F)F)cc3)SC2=S)cc1Cl 726627739 UPOJBWXLQLIOKZ-FRKPEAEDSA-N 454.882 5.559 30 20 JKED CCOc1cc(/C=C\C(=O)c2sc(/C=C/c3ccc(O)c(OCC)c3)nc2C)ccc1O 726847488 BHPRWWRBBPIMEL-QRBCZBMESA-N 451.544 5.727 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727627706 PFEZQYSESBOSBC-KRWDZBQOSA-N 473.385 5.167 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCCO[C@H](c3ccccc3)C2)c1=S 729852094 NTHRKNILBVWGOB-QFIPXVFZSA-N 471.026 5.254 30 20 JKED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 729891829 NSMIFFCYWMYCHI-ZDUSSCGKSA-N 494.787 5.524 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 729896220 UVQCTESBXOWQKC-HXUWFJFHSA-N 490.972 5.245 30 20 JKED N#C[C@@H](C(=O)CCc1cc(Br)cs1)C(=O)Nc1ccc(SC(F)F)cc1 730686619 NTHSTLIRYUAJQA-AWEZNQCLSA-N 459.337 5.105 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1cocn1 730717741 APPVVPKUSIYGQG-HXUWFJFHSA-N 486.956 5.190 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1[C@@H](C)c1cccnc1 730942070 CDBPLKYAUMODES-HTAPYJJXSA-N 489.557 5.020 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3cccnc3)C2=O)c1 730943311 CAIWASCLEIHFAX-FDDCHVKYSA-N 476.577 5.559 30 20 JKED COc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccccc1 731128998 GBNDTTCCBSJVSM-XTEPFMGCSA-N 475.548 5.195 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccsc2)C1=O)Nc1cccc(O)c1 731311626 DCFGPKGCXUWKCD-QHCPKHFHSA-N 487.606 5.767 30 20 JKED CCOc1cc(/C=C2/CN(C(C)(C)C)C/C(=C\c3ccc(O)c(OCC)c3)C2=O)ccc1O 747067336 SOCBEKIKZFQUPV-AYRZQKSOSA-N 451.563 5.045 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSCc2cc(-c3cccs3)on2)cc1 747111669 MHUVSYKXIQZLCR-DNVCBOLYSA-N 453.589 5.497 30 20 JKED C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN(CC#N)C2CC2)c1=S 747789757 SXBBLBIDIIANDJ-LXZJYRNTSA-N 455.603 5.075 30 20 JKED CCn1nc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)c1C 750913359 LWFJFEYPFCQKRS-ZRDIBKRKSA-N 467.953 5.095 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(CC)cc3)N(CC(F)(F)F)C2=O)cc1 799220287 BWYKGCIWICTYQN-LJQANCHMSA-N 479.524 5.170 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C)cc1 838487075 VMUQAMNHBQVMIS-QHCPKHFHSA-N 477.561 5.303 30 20 JKED COc1ccc(OCC(F)(F)C(F)F)c(-c2nc(-c3ccsc3C(F)(F)F)no2)c1 904922909 MQPXKOKEVGLORI-UHFFFAOYSA-N 456.339 5.772 30 20 JKED CON=Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc1 913408666 YCIDJXASTQURBJ-UHFFFAOYSA-N 478.357 5.027 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 915086100 RHBPKARXIZFNLQ-HSZRJFAPSA-N 477.524 5.317 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 915103828 GIJPHAZQAOPWJQ-HZPDHXFCSA-N 477.533 5.043 30 20 JKED C=CCn1c(SCC(=O)OCc2cc(-c3ccc(F)cc3)no2)nnc1-c1ccc(Cl)cc1 915365361 IMVIMJWULXQIPR-UHFFFAOYSA-N 484.940 5.414 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1Cl 915656351 SNKWEJRYKZJJFQ-RDQNCKLBSA-N 483.999 5.886 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 915726955 GOVUMGBGMLHLCD-MHZLTWQESA-N 459.549 5.229 30 20 JKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 915849091 XKKVOHWXMOJGBE-OEAKJJBVSA-N 489.553 5.691 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1c(C(C)C)nn(C)c1Cl 915943462 FBLWKPRULJNIIP-UHFFFAOYSA-N 460.390 5.479 30 20 JKED COc1cccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3OC)c(OC)c2)c1 916137422 SCMSNUQEPZFTEY-XFFZJAGNSA-N 481.932 5.279 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccccc2)C1=O 916212196 KZZLKVHFJYJYEU-HSZRJFAPSA-N 459.571 5.164 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)cc1OC 916213168 ASUPXJVNYIFAHS-OAQYLSRUSA-N 499.976 5.111 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)cc1 916215395 VCSVLOXUCVSEAJ-FQEVSTJZSA-N 493.551 5.865 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2ccccn2)C1=O)Nc1ccccc1 916217888 XZORTXWSJAXLLJ-NRFANRHFSA-N 499.423 5.591 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(OCc3ccc(C)cc3)cc2)cc1OC 916326239 IEYDUEAKWUSTPT-UHFFFAOYSA-N 460.559 5.021 30 20 JKED Cc1ccccc1-c1nnc(S)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 916341946 QFMYBAAPYSQYDS-UHFFFAOYSA-N 484.335 5.355 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=Nn3cnnc3SCc3ccc(Cl)cc3)cs2)cc1 916546223 GSHMWXIIZZDKOO-UHFFFAOYSA-N 499.021 5.256 30 20 JKED O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 916702474 YPRJZOCHRXPADY-URLYPYJESA-N 489.342 5.317 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916885940 ANTJDGRZBAPBDH-HXUWFJFHSA-N 493.510 6.105 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 916901629 MPIYVHCSXZOVHH-GOSISDBHSA-N 492.988 5.386 30 20 JKED N#C[C@H](C(=O)CCC(=O)N1CC(=O)Nc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997589 XEVCJDGVXSVWIT-OAHLLOKOSA-N 499.379 5.059 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc2cc(C(F)(F)F)ccc2s1 917430737 RSDKCGNTGGYTLN-ZFWWWQNUSA-N 490.482 5.575 30 20 JKED C#CCN1C(=O)c2ccccc2N[C@H]1c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 917503658 QUBLJEIALJMVCL-JOCHJYFZSA-N 450.325 5.445 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NC(C)(C)C)[n+]2ccc(Cc3ccccc3)cc2)N=C1C 917613110 BGEAOGTXFSYWTD-UHFFFAOYSA-O 462.639 5.159 30 20 JKED CNC(=O)c1ccc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C2CC2)cc1 918052373 DWUWQAQIXUXYFW-UHFFFAOYSA-N 474.948 5.560 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 918291105 SFDTVKVXPLBDAS-FTJBHMTQSA-N 455.533 5.467 30 20 JKED C#Cc1cccc(NC(=O)CNC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1 918343122 PQEONNRSZHINDI-UHFFFAOYSA-N 454.551 5.216 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 918630939 GOMHUOUFTNYYGK-UHFFFAOYSA-N 475.911 5.188 30 20 JKED Cc1sc(=O)n(CC(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)c1-c1ccc(F)cc1 919171296 VWKGRROGYVPOSL-UHFFFAOYSA-N 486.568 5.468 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 919399542 DRKJFNOTIYJMGI-UHFFFAOYSA-N 481.961 5.444 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)nc1C 920032085 MGMGMSLIQMSECK-LLVKDONJSA-N 467.542 5.336 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)cc1 920355614 KZVICFJMYAXYHX-QFIPXVFZSA-N 480.565 5.153 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 920783577 PGCDNYQUUPMDLR-KAYWLYCHSA-N 455.558 5.564 30 20 JKED CC(=O)Nc1cc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)cc1F 921157426 VZHCVKSBAZAPNX-NSCUHMNNSA-N 452.301 5.613 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCOCC(F)(F)F)C2=O)cc1 932791119 HDNLYBQTGDKWEV-GOSISDBHSA-N 499.942 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)C2)C1 1782112533 PLIQPNNSEYQLHE-SMSORMJASA-N 484.596 5.288 30 20 JKED CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CCC1 1785796925 YWEBUPZSWSXYEM-UHFFFAOYSA-N 470.573 5.188 30 20 JKED CCOc1cccc(C(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c1 1788650077 VEHGAYVNQSLQOT-BUHFOSPRSA-N 474.582 5.334 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(OC)ccc4o3)CCC2)cc1 1789453904 IABOJWUCGKUGHU-QHCPKHFHSA-N 458.558 5.958 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCc4cccc(Cl)c43)CCC2)cc1 1790512761 CHDSZPYFDARWLB-OAQYLSRUSA-N 480.992 5.013 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)c(F)c1 1790640069 OMGGJEDKDJVJJS-VAWYXSNFSA-N 478.545 5.083 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2)CCC1 1790646326 MFRAECRGQUKCPC-UHFFFAOYSA-N 478.486 5.575 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4c[nH]c5ncccc45)CCC3)cc2)cc1 1790707308 FUFSRSXMECPHPP-UHFFFAOYSA-N 477.568 5.009 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(-c5ncc[nH]5)cc4)CCC3)cc2)cc1 1790708072 PDLGGFUUKDJFJY-UHFFFAOYSA-N 475.552 5.204 30 20 JKED CCOc1c(F)cc(C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CCC4)CCC3)cc2)cc1Cl 1790729176 GVVQQFFLQTXFSG-UHFFFAOYSA-N 469.944 5.319 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(Cl)ccn4)CCC3)cc2)c(Cl)c1 1790768032 YAXBDSVJZRQCTK-UHFFFAOYSA-N 465.340 5.322 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCCc4ccncc4)CCC3)cc2)c1 1790796710 CCKJHEYHPAUVIG-UHFFFAOYSA-N 452.558 5.032 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccc(N4CCCOC4=O)cc3)cc2)CCC1 1790800215 YFQBRYRYFQXGST-UHFFFAOYSA-N 487.600 5.549 30 20 JKED CC(C)(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5ccc(C#N)cc45)cc3)CCC2)c[nH]1 1790834796 WBWMDZIXLKPDRL-UHFFFAOYSA-N 480.572 5.122 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H](c3ccccc3)N(CC)CC)cc2)CCC1 1791126918 KYQGVAARHLEELI-MHZLTWQESA-N 477.649 5.186 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc4ccc(Br)cc4n3)CCC2)cc1 1791575257 JWAOPDMKZLCKLC-AWEZNQCLSA-N 484.419 5.063 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1791711140 ATCJVLYAGMRWBT-OAQYLSRUSA-N 497.680 5.760 30 20 JKED Cc1ncc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)s1 1792168718 UPQYJAHDSPSSOU-UHFFFAOYSA-N 474.586 5.172 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)CCC2)cc1 1792268678 XOHNBKUDRADDLK-UHFFFAOYSA-N 461.562 5.195 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCn1cccc1)c1ccc(C#Cc2ccccc2)cc1 1798561180 VBANKRDJRLTSJU-PKQPGRETSA-N 479.624 5.010 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1798592267 CBYLFYNJMPHVPD-OUJCMCIWSA-N 497.680 5.768 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2 1798592562 NIHRALSYNMNPSV-WKCHPHFGSA-N 459.590 5.672 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)c1 1799109705 CPGGALGGHJNAKM-OCYFJXFZSA-N 493.567 5.016 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1802503089 KWUWYCAZSQOZGW-CYFREDJKSA-N 479.024 5.528 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1802580105 HTRPCRKJSJPAGD-NAKRPHOHSA-N 474.649 5.198 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1803222070 LPJDGEMUADJXPM-LJXOIELBSA-N 493.051 5.265 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(Cl)s2)[C@H]1c1cccnc1 1804281954 OHBVRIBOHPBJNY-XMSQKQJNSA-N 460.043 5.037 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](N[C@@H](C)c3ccccc3)C3CC3)CC2)C1 1804866906 VZSCYZWIEREZTQ-OZXSUGGESA-N 479.709 5.339 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)[C@@H]4CCC[C@H]5CCCC[C@H]54)CC3)C2)c1 1805328457 XAURFKQJZRSYNK-ZONZVBGPSA-N 475.677 5.329 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)COc3cccc4ccccc34)C2)CC1 1806667975 PUYSPNPJEWKDCQ-UHFFFAOYSA-N 462.634 5.442 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CCc3cnccc3C(F)(F)F)C2)CC1 1806890134 XVIBYWVWYAMYRG-UHFFFAOYSA-N 477.571 5.033 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1807202160 ZGUQVKAPBWBBIG-VWNXMTODSA-N 496.449 5.241 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)Cc3cccc(CCCCC)c3)[C@H]2c2cccnc2)C1 1807468218 RZYBUJQQCCCYIU-LEAFIULHSA-N 459.634 5.029 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1808423528 TXWUGPMIBJHBRO-PDWOAGSZSA-N 493.673 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1809306576 QLNXVFRSXOTJMA-AOYPEHQESA-N 470.617 5.250 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCc4ccccc4Cl)C3)CC2)c1 1809357639 WQOWIALAURWRFP-OAQYLSRUSA-N 478.036 5.445 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(F)c2)[C@@H]1c1cccnc1 1810659055 GHCQSMPPGKQBGO-KNQAVFIVSA-N 457.977 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccc4c3OC(C)(C)CC4)C2)CC1 1810720752 YDLNJCPRPPNJPJ-HSZRJFAPSA-N 464.650 5.403 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)c(F)c(Cl)c3)[C@H]2c2cccnc2)cc1 1811788998 QTBKVFQDGYPSKA-WZONZLPQSA-N 497.357 5.033 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nscc23)[C@@H]1c1cccnc1 1812211757 INGWHQQCKADYCI-XXBNENTESA-N 462.619 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2Cl)N(C)C)[C@H]1c1cccnc1 1812429492 OOUBFPCKICLAEK-NQHRYMMQSA-N 497.083 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1812830880 NEAZNDCFLBFODZ-XNMGPUDCSA-N 461.650 5.446 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@H]1c1cccnc1 1813013184 FWVINSQMEINLAL-PXDATVDWSA-N 497.561 5.032 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1813223001 FGIBRVPAISIBQI-AMGIVPHBSA-N 490.003 5.508 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CCc2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1813240266 CBKJEHVCJDDMHD-IAPPQJPRSA-N 459.634 5.105 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1815247092 WBBKWKWXQPGGPF-QAPCUYQASA-N 473.401 5.116 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@@H](S)C(C)C)n[nH]3)sc2c1 1815249568 YYGFBUSPTLPRTH-UWJYYQICSA-N 456.637 5.193 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(OC)cc2Cl)n[nH]1 1815697291 GMAGYNRVQWSWFF-OAQYLSRUSA-N 473.017 5.299 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3ccc(Br)cc3n2)n[nH]1 1819181777 DERFOTPVDDXSIW-QVKFZJNVSA-N 496.409 5.239 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)n[nH]2)C1 1820080281 UCJQCXISGINECL-XMMPIXPASA-N 480.572 5.225 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1)C(F)(F)F 1820438140 YEXXWABHBSHECM-HXUWFJFHSA-N 484.478 5.626 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821241334 QRXNZBRSWJPYFJ-OAQYLSRUSA-N 496.409 5.118 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)ccc(F)c1F 1821280455 SQIPWIYEUNUYLD-HXUWFJFHSA-N 483.906 5.141 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CC1 1821309751 AEGXAIIMSSPBLD-UWJYYQICSA-N 485.510 5.352 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1822581974 VYHDVGPKGZVBPI-JOCHJYFZSA-N 493.007 5.724 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823211457 MLABZTTXFQRJBB-HYBUGGRVSA-N 485.588 5.039 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3cccc(Br)c3)CCCC2)[nH]n1 1823422643 YKLAERJHEOUSSB-OAQYLSRUSA-N 497.437 5.090 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccccc3Cl)CC2)cc1 1823809934 FENVSVBUDAUJHI-AREMUKBSSA-N 478.036 5.007 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1824539487 XMTGPVOPGIRFPT-AOYPEHQESA-N 481.706 5.094 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1825424417 NNXJRPSIDRBLGM-HHHXNRCGSA-N 459.634 5.417 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c(C(F)(F)F)o1 1825960701 KAZOBOIVXXKRMY-NRFANRHFSA-N 473.495 5.026 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(Cl)cc(C)nc4c3)CC2)C1 1828496319 XLIXDKPEKXRABI-RUZDIDTESA-N 466.025 5.396 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1 1828821205 ILFHNWRMSOXRQS-NQHRYMMQSA-N 454.680 5.555 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)CC2)c1 1829142853 ZUGGLUZRWFIPAS-VGOFRKELSA-N 486.538 5.208 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(N3N=C(C)CC3=O)cc2)CC1 1830074540 FDOZKLRNRLCNII-RUZDIDTESA-N 492.664 5.025 30 20 JKED CC(C)c1nn2ccccc2c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830628133 FYRDHHSNNNMMRM-RUZDIDTESA-N 497.643 5.071 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)c1 1830678934 CYLKHEONCHWCBK-PIKZIKFNSA-N 495.627 5.251 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1830716847 MOWGTFXUBYCARE-XMMPIXPASA-N 492.982 5.379 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CC1 1830756118 RUFWDURYUGBSGP-XUZZJYLKSA-N 487.566 5.557 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cc(C)cs3)CC2)c1 1830765520 PTBLNSOFTQFBIB-RUZDIDTESA-N 463.647 5.103 30 20 JKED C[C@H](c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)cc1)C(F)(F)F 1831237292 GCRWCSSSHFMHCT-AUSIDOKSSA-N 489.582 5.208 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 1831298073 ZMHBZRQAFCOCHQ-DEOSSOPVSA-N 483.534 5.053 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCOc2ccccc2Br)CC1 1831375820 DRLVTSDBRHLPHT-UGKGYDQZSA-N 491.470 5.050 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)c1 1832631633 GGWFYKKJKRTBRG-HRFSGMKKSA-N 496.611 5.115 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)oc2ccccc12 1832631872 IORGDEWETLOPGB-RXFWQSSRSA-N 483.612 5.915 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)c1 1832635585 KEVKKFOHUSJLPC-ZBLYBZFDSA-N 485.628 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)c(Cl)c2)CC1 1832657896 KUJDOWUVIYUXTG-JTHBVZDNSA-N 459.030 5.350 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)C1 1845514028 CHMXTMWTKDBHOH-UHFFFAOYSA-N 463.544 5.391 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)C)cc1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174181 TWRFJJPJSBBSKU-UHFFFAOYSA-O 487.567 6.609 30 20 JKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccc(OC)cc1 10658777 HBPRCPFGGNSDMH-CQSZACIVSA-N 452.609 5.197 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc3ccccc23)cc1 11125339 UVKCFTXGUCVBLI-UHFFFAOYSA-O 456.547 5.649 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1 14088349 BZFNESWMPQTQFV-UHFFFAOYSA-N 471.995 5.037 30 20 JKED CCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nc2ccccc2c1=O 16056802 HUGIIBXVGXJXLH-OAHLLOKOSA-N 466.632 5.128 30 20 JKED C[C@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 16833262 FOVJLQUWMSTRAT-AWEZNQCLSA-N 472.657 5.551 30 20 JKED C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)ccc1Cl 21749237 WFOKLXZODLKWFF-INIZCTEOSA-N 489.380 5.458 30 20 JKED O=c1ccc(/C(O)=N/c2nnc(SCc3ccccc3)s2)cn1Cc1ccccc1Cl 21955184 GBFNIOOGOIBBRT-UHFFFAOYSA-N 468.991 5.330 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 22033704 LDDNZKZHNQWNEG-LBPRGKRZSA-N 451.354 5.696 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2SC)nnc1-c1ccc(Br)cc1 22101106 VAYTXALLHXJDSG-CQSZACIVSA-N 489.464 5.735 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)c1 23283308 HHSGJWHEBFTPOY-QFIPXVFZSA-N 496.640 5.682 30 20 JKED C=CCNc1nnc(SCc2nc3scc(-c4ccc(Br)cc4)c3c(=O)[nH]2)s1 23583088 ZHMQONCMOVOVOJ-UHFFFAOYSA-N 492.449 5.156 30 20 JKED O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccccc1Br 24033680 SBENPUYGJHMRFY-UHFFFAOYSA-O 462.392 5.941 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)c1 26701860 JYPNNUVRRVAKFC-UHFFFAOYSA-N 492.601 5.447 30 20 JKED C[C@H](Nc1ccc(NC(=O)NCc2ccco2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 29720162 ZEENLIUQWDQLNT-INIZCTEOSA-N 477.590 5.242 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 32788569 RVPCMUTXRDMTHB-FQEVSTJZSA-N 454.599 5.841 30 20 JKED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 104893416 LHEWLTSGUTTWCQ-UHFFFAOYSA-N 482.609 5.195 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2-c2ccccc2)cc1 253613450 JWFKJOCNYUCMFE-UHFFFAOYSA-N 475.961 5.199 30 20 JKED C=CCN(C(=O)c1oc2ccccc2c1CSc1ncccn1)c1nc(-c2ccccc2)cs1 303041265 ZZYKEHXGQCGMPG-UHFFFAOYSA-N 484.606 6.471 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1Cc1ccccc1 303197200 NNANTCZWJYYBEM-UHFFFAOYSA-N 456.933 5.596 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)cc2F)c1 481713448 NWHMMHCUFZQSMM-XMMPIXPASA-N 459.521 5.489 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 483210648 DVENCNFITUKOLY-IBGZPJMESA-N 459.402 5.334 30 20 JKED Cc1cc(CNC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)ccc1F 503139971 JUIPOXVZYHSMAY-UHFFFAOYSA-N 480.771 5.336 30 20 JKED C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 506293793 HGNAIELIVIQOCX-OFVILXPXSA-N 454.574 5.289 30 20 JKED C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 506559359 AFXROFOQAIJECM-UHFFFAOYSA-N 498.564 6.112 30 20 JKED O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc(COCC(F)(F)C(F)F)c1 510423492 FUBPAIFFTQHNSA-UHFFFAOYSA-N 454.342 5.324 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)s2)cc1 511351269 AXIKNEAHFJJLLV-UHFFFAOYSA-N 464.635 5.189 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 511473560 GYGURHFCQWBDDO-QHCPKHFHSA-N 470.529 5.197 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 511773660 CJDDDXQPNHMBCI-CLOONOSVSA-N 453.542 5.289 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)nn2-c2ccccc2)cc1 513154371 LHSCSQANISZAIJ-FQEVSTJZSA-N 462.431 5.452 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc12 513671185 GRAQSOSZSMIFNN-GOSISDBHSA-N 459.962 5.485 30 20 JKED Cc1cc(Oc2ncccn2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513875056 UVRYWIRAZDYLIQ-UHFFFAOYSA-N 467.504 5.822 30 20 JKED Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cccc(CC#N)c2)c1 514560079 JHLHLSAORQWVFT-UHFFFAOYSA-N 489.597 5.280 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nc2sccc2c1=O 515306458 MSKHRTFCHQVHQX-CYBMUJFWSA-N 478.624 5.875 30 20 JKED CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCCCC#N)c1 517099421 RKGXHCCXALVCNA-OAQYLSRUSA-N 462.377 5.459 30 20 JKED COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(OCCCC#N)c1 517102523 LHKYHXIRMMUQPX-UHFFFAOYSA-N 452.514 5.483 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 517185607 HVWSGRUDVCISRZ-AREMUKBSSA-N 471.532 5.181 30 20 JKED COc1ccc(Oc2cc(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)ccn2)cc1 517429963 BIFIGFWSTPVEKS-UHFFFAOYSA-N 481.577 5.976 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)s2)cc1 517462017 YKTLTKPPGBPPID-UHFFFAOYSA-N 477.533 6.404 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)c(C(F)(F)F)c2)n1 517533634 YJGQKZJWOZQRPO-QGZVFWFLSA-N 487.551 6.224 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccc(C(N)=O)cc2)n1 518131379 LPLGMNMCMGMWJE-OAHLLOKOSA-N 482.656 5.033 30 20 JKED N#CCCCOc1cccc(NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)c1 518308277 QIFJNEDHJNLHEB-CAPFRKAQSA-N 498.564 6.456 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 518652875 IIYYQAMOERAKKS-AWEZNQCLSA-N 458.012 5.261 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nc4onc(C5CC5)c34)CC2)c1 519139389 KQMQHXUVQZPQQC-UHFFFAOYSA-N 482.515 5.462 30 20 JKED CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1 520187768 DKCRDBPGKHYMQP-SFHVURJKSA-N 495.626 5.533 30 20 JKED CCOc1ccc(C2(CNC(=O)c3ccccc3SCc3ccc(C#N)cc3)CCOCC2)cc1 520407227 VFXZQXUSVLGHBI-UHFFFAOYSA-N 486.637 5.727 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cc2)cs1 520470837 NVVKSTGQFRFCRC-INIZCTEOSA-N 486.557 5.295 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)cc2)cc1 520562810 NNFCQLSVPWRNCP-UHFFFAOYSA-N 453.542 5.160 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 520855435 NEBFMWSMQYXIPU-PPHZAIPVSA-N 487.625 6.135 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1OCC 520962495 FSIWBSUQYAUWRJ-KRWDZBQOSA-N 473.411 5.390 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 521739581 HPUVEAXIATXIDL-JXFKEZNVSA-N 475.536 5.649 30 20 JKED CC(=O)N(CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)Cc1ccccc1 523825630 IMAUDSXWIFUTPG-UHFFFAOYSA-N 486.519 5.002 30 20 JKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)n2)n1 524119752 CLCMKVILQZUDNK-UHFFFAOYSA-N 492.366 5.894 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccccc3)n2-c2ccccc2)sc2c1CCC2 589937797 UMKCMJZXJCHXFZ-UHFFFAOYSA-N 471.611 5.477 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc4sc5ccccc5n34)c2C#N)C1 589939866 AJLVXKVJAKADTM-GFCCVEGCSA-N 453.618 5.123 30 20 JKED N#Cc1ccc(C(=O)CSc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)cc1 590412431 ZGAOBHDQWPSCBQ-UHFFFAOYSA-N 484.972 5.165 30 20 JKED CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)[C@H]1c1ccc(OC)cc1 603600909 MEEYIZUEOWSCQX-SHQCIBLASA-N 498.583 5.391 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cn2)c1 603693461 VOTXWHILMDVKQR-ZIAGYGMSSA-N 472.389 5.777 30 20 JKED Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 603765113 UHYJRDCXCQNHQD-UHFFFAOYSA-N 494.576 6.037 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 608795550 FOPNVZMDZQGREC-MRXNPFEDSA-N 486.553 5.127 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc(OC)c1OC 609007532 PXKSORALKKRQJA-OAHLLOKOSA-N 478.357 5.137 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCN(CC2CCCCC2)CC1 609079097 INNQPZSDODDDOD-UHFFFAOYSA-N 460.622 5.566 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 609085226 LDPMNCKSQPSTLQ-AREMUKBSSA-N 499.567 5.491 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 609086883 GHRODZZLDQAEHQ-IQGLISFBSA-N 483.568 5.292 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cc1 609382893 WMXAIICMMXFNES-SFHVURJKSA-N 465.600 5.300 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 609436311 KXWLTDJQYLVJTF-OALUTQOASA-N 486.597 5.149 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 609437653 JFCVFWZPJBQJRL-KBPBESRZSA-N 450.391 5.546 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c(C(F)(F)F)c1)c1ccoc1 611897376 DSPLXEGLSODVTQ-UHFFFAOYSA-N 474.438 6.203 30 20 JKED N#C[C@@H](C(=O)c1ccccc1C(=O)c1cccs1)c1nc2cc(C(F)(F)F)ccc2s1 613404492 OGKFRJWNJWDMQR-HNNXBMFYSA-N 456.470 6.098 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613404940 QTWYQIODFQKJED-QGZVFWFLSA-N 454.477 5.667 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12 613405289 WYHZPRLJPKTACV-LLVKDONJSA-N 494.292 6.058 30 20 JKED O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1(Cc2cccc(F)c2)CCOCC1 622620923 LNWLJJWJBCXYJX-UHFFFAOYSA-N 479.392 5.150 30 20 JKED C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1[C@H]1COc2ccccc2O1 644448792 DRSOFQWBLDAETD-GOSISDBHSA-N 491.400 5.404 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 726403028 YBEYYOUSBPNXJI-SCLBCKFNSA-N 498.407 5.518 30 20 JKED Cc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Cl)c(Cl)c2)cc1 726571060 BRXXOYSTVHRHRV-UHFFFAOYSA-O 459.378 5.096 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1 728249108 IIBHJVOSVBXXNR-UHFFFAOYSA-N 455.535 5.082 30 20 JKED CN(C[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1)C(=O)OC(C)(C)C 728737099 JEGNMETVEYVIFK-CVDCTZTESA-N 497.039 6.106 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728778648 UCHCKRCJFZZEAB-NRFANRHFSA-N 469.010 5.611 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CCCCC#N)C2=O)cc1 728780811 ZXJPRPICQVNCIB-DEOSSOPVSA-N 470.598 5.802 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)nn1-c1c(Cl)cccc1Cl 729069263 HIRDUWPOAQINCZ-KRWDZBQOSA-N 492.366 5.812 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ncccc3C)C2=O)c1 729634684 QXADTUIMZNAIRN-QHCPKHFHSA-N 494.567 5.446 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 730444195 JSPWBHKQTMFGBZ-RUZDIDTESA-N 498.608 5.648 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=Nn2c(S)nnc2-c2ccc(F)cc2)cs1 730548759 LWUZTOBOOVUYAH-UHFFFAOYSA-N 472.958 5.050 30 20 JKED COc1ccc(-c2ccc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c(F)c2)c(F)c1 730634329 RLFCPFIFFFWMRC-UHFFFAOYSA-N 474.463 5.548 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2cocn2)c1 730714381 XLHZQABDTNSQER-GOSISDBHSA-N 489.384 5.450 30 20 JKED O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(-c2ccc(C(=O)O)o2)cc1 730949070 QZMYDIKKAVPJML-XCVCLJGOSA-N 458.422 5.411 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3 730950910 CQDOUIHWNQSEMJ-QGZVFWFLSA-N 462.571 5.474 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)nc1C 731225231 SVJCCJZIOQNTNX-UHFFFAOYSA-N 485.598 5.047 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(Cl)s2)C1=O)Nc1cccc(O)c1 731305903 HUUQTVURJPWFSD-SFHVURJKSA-N 489.981 5.407 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2CCN(CC3CCCCC3)CC2)cc1Cl 744920346 NVJWJIJBOKYVIX-RUZDIDTESA-N 493.051 5.095 30 20 JKED COc1ccccc1-c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cs1 747018246 FFJLXOCDSVBUDS-LJQANCHMSA-N 469.522 5.572 30 20 JKED COc1cc(/C=C\C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 747168440 LPMWADLLMRHPCV-LUAWRHEFSA-N 499.485 5.945 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)c1 747600268 ADYLTNOMCIHKTG-NRFANRHFSA-N 482.606 5.566 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1=S 747804813 UOCSNAOILDIXPX-GVXSCFBNSA-N 492.645 5.170 30 20 JKED COc1cc(/C=C2/SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC#N 814280945 LFLNBQSJXAVQTI-XQNSMLJCSA-N 474.563 5.796 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1nc(N(C)C)n(-c2ccccc2)c1Cl 818225920 KLUCYWYCZXKWMK-UHFFFAOYSA-N 489.004 5.221 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H](C)c3ccccn3)C2=O)cc1 837301278 IJVNOTWIFVIEMD-DVECYGJZSA-N 488.613 5.510 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N([C@H](C)c2ccccn2)C1=O 837781094 CRYDTHYEFYDCJR-OPAMFIHVSA-N 495.004 5.465 30 20 JKED COc1ccc(Nc2nc(Cl)c(C=Nn3c(S)nnc3COc3ccc(F)cc3)s2)cc1 839415714 PGMYPDMDWFVAIA-UHFFFAOYSA-N 490.973 5.029 30 20 JKED N#CCCCS(=O)(=O)c1ccc(-c2nc(-c3ccc(COc4ccccc4)cc3)no2)cc1 904445141 ZQXMIKKDKCCOII-UHFFFAOYSA-N 459.527 5.060 30 20 JKED C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915087352 SFHKGFYIHXSDLI-IBVKSMDESA-N 473.598 5.157 30 20 JKED CN(CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)C(=O)c1cccs1 915101455 BRPQENKJZSFNMX-ZDUSSCGKSA-N 450.372 5.127 30 20 JKED N#C[C@@H](C(=O)COc1cccc(NC(=O)C2CC2)c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103638 ZYHCKOUOIAMGCI-IBMZFAAVSA-N 475.614 5.215 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ccc(C(F)(F)F)cn2)cs1 915917856 RLCJHWAKKSHYMQ-UHFFFAOYSA-N 473.402 5.706 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(C[C@H]2CCCO2)C1=O 916205007 LSQNHVLVBVETMG-YKSBVNFPSA-N 495.645 5.232 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 916206343 QHBDZBCBSQSVGV-HXUWFJFHSA-N 459.999 5.035 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(OC)cc1 916213587 DNAMOBVGGCSOQV-LJQANCHMSA-N 490.969 5.017 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CSc1cccc2cccc(Cl)c12 916902351 FVLSADDFDGQYDH-OAHLLOKOSA-N 473.381 5.903 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 916910861 DAKWNNRARJJOCG-VWLOTQADSA-N 480.520 5.204 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 916932201 SALZMZLDUQKREH-INIZCTEOSA-N 484.387 5.640 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 916955720 TXTNOJSHMKEMHL-HRAATJIYSA-N 472.511 5.178 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916976860 VGHMMPBKBZBJAC-LJQANCHMSA-N 467.978 6.229 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cs2)cc1OC 917026163 XBFDQKLFGYHGTK-GOSISDBHSA-N 461.568 5.370 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1nc2ccccc2n1C(F)F 917041506 UEWJGMKAJIFKCE-OAHLLOKOSA-N 491.548 6.072 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1c(C)cccc1C 917658495 HLAVZZSFBQUKJP-LJQANCHMSA-N 493.551 5.319 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccsc2)cc1 917682562 KBSXVYGJIATKOG-FQEVSTJZSA-N 471.554 5.495 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)c1C 919007480 PUCDXXXEJAGQRX-UHFFFAOYSA-N 453.951 5.184 30 20 JKED C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2Cl)c1 919837520 AGPZMRQOVCHZMS-UHFFFAOYSA-N 486.977 5.357 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3ccccn3)C2=O)c1 920172726 JBPILXRLYREMLT-VWLOTQADSA-N 484.625 5.348 30 20 JKED C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)N1CCC[C@H]1c1cccs1 920636351 WDDAJMQRMHDDMW-MBSDFSHPSA-N 460.555 5.108 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 1465300715 IVVABQWWYABJAH-JOCHJYFZSA-N 458.562 5.350 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cn5c(Cl)cccc5n4)CCC3)cc2)c1 1786040730 ONWIOBVTVNSTAB-UHFFFAOYSA-N 497.986 5.240 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)CCC1 1786598614 TVTCNFRSEMPWPF-MDWZMJQESA-N 498.549 5.135 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1)C(F)(F)F 1787950658 FSJNAZZKXSUORM-ACIOBRDBSA-N 483.534 5.617 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc5sc(N)nc5c4)cc3)CCC2)c1 1788074036 QXKAVISNMVHIHX-UHFFFAOYSA-N 495.608 5.131 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)nc4n[nH]cc34)cc2)CCC1 1788381950 ODMSXVMYIHMAKO-SFHVURJKSA-N 463.969 5.127 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3cc4ccccc4o3)cc2)CCC1 1789116145 KOGYDUCCVAUSKS-JKIKYLSZSA-N 459.546 5.381 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)cc2)CCC1 1789292884 DRTIYDZODIMXNY-UHFFFAOYSA-N 482.506 5.523 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4n[nH]c5cc(Cl)ccc45)CCC3)cc2)c1 1790257115 IOPSDRPCAGPAPZ-UHFFFAOYSA-N 469.932 5.149 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccc(C)cc3)CCC2)cc1 1790568681 XYZVTXXSPSTRAM-IBGZPJMESA-N 453.608 5.022 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)c1 1790710279 DVTJJCPGVMOFFQ-UHFFFAOYSA-N 480.499 5.414 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)CCSCc3ccc(C)cc3)cc2)CCC1 1791501788 CKTCBWSDLGSBGX-UHFFFAOYSA-N 494.657 5.262 30 20 JKED COc1cc(F)ccc1C(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1792071806 FAJVFYBWHACVSF-UHFFFAOYSA-N 471.532 5.086 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cn1 1792123301 SXQLFECMVXTEEG-HXUWFJFHSA-N 466.585 5.398 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)cn4)CCC3)cc2)c1 1792124851 MNVJLFJTRQGEKA-QGZVFWFLSA-N 458.949 5.424 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)CCC2)cc1 1792266649 AMFPPPRXFSKBAP-YADHBBJMSA-N 465.391 5.100 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)CCC2)cc1 1792267078 KKSUGOOGZYZZQI-HSZRJFAPSA-N 481.637 5.008 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1792572263 QKEBCBYWMSGJHP-WKCHPHFGSA-N 454.998 5.844 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccccc3c(Cl)c1OC)C2 1798592158 HZXLTFIVPUETSL-ACDBMABISA-N 469.025 5.746 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc(F)c(C(F)(F)F)c1)C2 1798593318 BYKVLJRNUDOLRT-BCDXTJNWSA-N 454.508 5.018 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC1CCC(C)(C)CC1)C2 1800131008 UVURFAMPBSSEQG-BJESRGMDSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1802499762 ITYXLZQSCGNPMD-AUSIDOKSSA-N 464.635 5.245 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1802628837 KNXJLGZQVLPKSW-BKFWDETESA-N 453.586 5.052 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1802733028 BWFSRDTYQSNMKJ-BKMJKUGQSA-N 496.127 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccnc2C(C)(C)C)[C@H]1c1cccnc1 1807782500 QASBWXGBVUPRPU-FYYLOGMGSA-N 462.638 5.086 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)cc1 1808419688 UUAJVYRXPMUCDD-PWKLLNGASA-N 487.625 5.025 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Br)cs2)[C@H]1c1cccnc1 1808472959 ZFRPIDMDSILCQU-YLJYHZDGSA-N 490.467 5.218 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1810174280 MORVQKWNESRHOR-GSLIJJQTSA-N 451.655 5.462 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3ccncc3-c3cccc(C)c3)C2)CC1 1810341173 CEZSTTOHAHDOGR-RUZDIDTESA-N 471.645 5.670 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc(F)c(F)c3)C2)CC1 1810386912 QHFOUPNWGKADQO-QFIPXVFZSA-N 493.598 5.640 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cccc(Cc3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1810473260 OYPOYOKWVKNHFN-OFSOJUDTSA-N 497.614 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1810493375 ZHZBWSTZXAGTOY-RDPSFJRHSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1810502291 GTBGNSPOHDYQOJ-XNMGPUDCSA-N 461.650 5.446 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)[C@@H]1c1cccnc1 1810505443 UUUCAKBOVNLCSI-UKILVPOCSA-N 453.671 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(F)F)cc2F)[C@H]1c1cccnc1 1811390100 NDIINMLNDBOBID-PGRDOPGGSA-N 489.538 5.134 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811734844 UJZULZGGDIIOEB-NTKDMRAZSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811873790 RSLQIZCVXZBZNZ-AGILITTLSA-N 496.533 5.060 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)[nH]n3)sc2c1 1816626162 HAWJCOLTUJDKKX-OAQYLSRUSA-N 484.585 5.014 30 20 JKED CN(C)c1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)c2ccccc12 1818608763 ODEYEVATFNDNSQ-SANMLTNESA-N 492.583 5.120 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)n[nH]1 1818868321 SAJGMFKYAPCFSX-ADYITMSISA-N 467.013 5.627 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)[nH]n1 1819309490 CEMVGLGQLKXMEN-FPOVZHCZSA-N 471.001 5.075 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1819366755 BQDXWUZMXRCPNN-GGAORHGYSA-N 486.572 5.188 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSC2CCCC2)[nH]n1)c1ccccc1 1819516892 OTJQOFMGXOYCJF-LADGPHEKSA-N 478.662 5.275 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2C)[nH]n1 1820973591 LYIRZXRLINFQOD-LIRRHRJNSA-N 480.396 5.132 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-n3cccn3)cc2Cl)n[nH]1 1821021395 KICSKOXXPKKWPG-WMZHIEFXSA-N 493.011 5.323 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)c1 1821277401 ZDFKLMVWOQTEJX-NRFANRHFSA-N 465.916 5.002 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1)c1ccc(O)cc1 1821538185 FRCJOJDSWZUIAO-PXDATVDWSA-N 496.567 5.365 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1822391727 IIGLYAQNFNFGJB-DEOSSOPVSA-N 479.584 5.439 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1)c1ccc(O)cc1 1822470032 XWIMINKBOJGLJF-VGDDVKCSSA-N 474.605 5.051 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cncc(C(F)(F)F)c2)n[nH]1 1822657138 PVDZRTXUHWHYOU-FPOVZHCZSA-N 489.542 5.217 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1)c1ccc(O)cc1 1822979835 COZBQSCBOPNLSA-YGZVCBRSSA-N 474.605 5.051 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)[nH]n1)NC(=O)OC(C)(C)C 1823347704 GEVUELRECHCFDH-SJBKTWHCSA-N 499.656 5.008 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(Br)cccc4n3)CC2)C1 1823700240 JPHGRIFTCPVOOW-XMMPIXPASA-N 496.449 5.197 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(Cl)cncc4s3)CC2)C1 1823700999 UHQYZWFXEJWBSI-HXUWFJFHSA-N 458.027 5.149 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1823753165 WJPZTAADEMBHAA-RJRNSMGGSA-N 456.652 5.099 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)c2[nH]1 1824052010 BHHURYWCMFJXGI-HHHXNRCGSA-N 482.628 5.214 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(F)c3Cl)CC2)c1 1824053748 DOIXVXOLTUAZLE-XMMPIXPASA-N 481.999 5.217 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc3ncccc23)CC1 1824140006 VCQALUGMTGYGRU-MHZLTWQESA-N 459.634 5.165 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cc1F 1824454240 DHLLHPHDTDCOAI-YKATVRGKSA-N 496.648 5.187 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2)CC1)c1ccccc1 1825483787 CXGKNMQOMVSSIC-SXOMAYOGSA-N 488.676 5.069 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC([C@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826677009 MSPWXUIUEPYSOW-QGZVFWFLSA-N 468.413 5.030 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)/C=C/C(=O)c4cccs4)CC3)c2[nH]1 1827682609 HPMRFZOVXICQAQ-YSESTWPTSA-N 489.641 5.210 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c(C#N)c1 1828009697 HLQOOJKDTNOISW-LJAQVGFWSA-N 495.623 5.196 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828414273 GZOIDAVVJHRMHO-ZJSXRUAMSA-N 454.577 5.292 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)cc(OC)cc2C)CC1 1828827031 GUZAPIPYQCIULJ-RPBOFIJWSA-N 452.639 5.314 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)N(CC)CC)CC1 1828831013 SXSYAEIFGPSARK-JCYYIGJDSA-N 479.709 5.458 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)nc2)CC1 1828904191 RUPFBMUKXYVDST-QFIPXVFZSA-N 474.121 5.019 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c1Cl 1829692908 PPOCGYNYPZPCEA-HJBWUJCXSA-N 468.041 5.271 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)cc3)CC2)c1 1829785071 GEBIKSLUCNEHDU-MHZLTWQESA-N 496.586 5.306 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)CC2)c1 1830092482 IRUCZCQGMCICOU-CJAUYULYSA-N 465.544 5.139 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830273999 FCIAPUQGQWGPBR-URXFXBBRSA-N 495.067 5.411 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/Sc2ccc(C)cc2)CC1 1830415439 WZVFTEVNFUHFOP-IMTQHFKKSA-N 471.667 5.021 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1830415795 CZHPRKYWIFMVTF-ATIYNZHBSA-N 491.632 5.513 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(N4CCCCC4)cc3)CC2)c1 1830591025 QOCNZBLEUICTOS-MUUNZHRXSA-N 484.644 5.096 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1 1830632823 ZVGKQDDNPLJKEO-DEOSSOPVSA-N 467.972 5.092 30 20 JKED CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)CC2)CCCC1 1830687911 YHZYKPSOJQIBIV-JOCHJYFZSA-N 486.454 5.134 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)c(C)cc3Br)CC2)C1 1830805297 ZXDDJEYFWVXTFY-JOCHJYFZSA-N 477.418 5.096 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978265 PWQYHZGDJGESRB-VWLOTQADSA-N 471.601 5.465 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4c(Cl)cccc34)CC2)c1 1830994983 KTGQNLAXPHIVCS-RUZDIDTESA-N 489.019 5.549 30 20 JKED Cc1cccc2c(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)n[nH]c12 1831006214 XSYWPZPBAKVPFM-NBGIEHNGSA-N 483.616 5.046 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc4cccc(Cl)c4c3)CC2)cc1 1831018924 CTLBCGRZWWDQFE-AREMUKBSSA-N 487.003 5.307 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831233748 CWWNXQYZJZXFLL-XXBNENTESA-N 496.639 5.434 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1831374848 IQDOUSMZEYUTIC-NBGIEHNGSA-N 467.654 5.179 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1831376512 ROEOMEPMHSHXJZ-IIBYNOLFSA-N 454.508 5.290 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1831377777 LOIJWUDQMSWCMR-QTJGBDASSA-N 491.717 5.100 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831745243 QJBJMVIXGCLAHZ-RDGATRHJSA-N 487.710 5.039 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832635491 HSWWRRFXUHROJN-IQGLISFBSA-N 481.999 5.653 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1833080014 PILCNRMGGNNVIU-UHFFFAOYSA-N 487.688 5.531 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)Cc3ccccc3)CC2)CC1 1836674907 YUPRJTJLVVKRGM-UHFFFAOYSA-N 466.666 5.022 30 20 JKED CC(C)[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](S)C(C)C)CC2)CC1)c1ccc(Cl)cc1 1836748591 SROVOHJEHBMXNN-BJKOFHAPSA-N 495.129 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C)oc4cc(O)ccc34)CC2)CC1 1838233959 CQKMKMGCHWZLKG-UHFFFAOYSA-N 482.621 5.051 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)CC1 1838289379 JDABSGRYJVDCLT-UUSJWDGRSA-N 470.698 5.360 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2ccccc2CSc2ccccc2)C3)c1 1845486341 GJYKXFMTNBDYTR-UHFFFAOYSA-N 485.584 5.120 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)c1Cl 1845569793 LANQTLXNGKWHQD-UHFFFAOYSA-N 491.925 5.288 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 10829478 NULPPXBVCOUROM-UHFFFAOYSA-O 469.605 6.372 30 20 JKED C[C@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C(=O)Nc1ccc(C#N)c(Cl)c1 18599733 PABZDAZKCWCGER-NSHDSACASA-N 484.965 5.435 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)C1(Cc2nc3ccccc3s2)CCCCC1 19172454 LPPFKZFCJXDHML-UHFFFAOYSA-N 479.627 5.587 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nc2sc(C)c(C)c2c1=O 21253650 CJAGNJQHNUJXFD-MRXNPFEDSA-N 469.632 5.219 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 22249850 YEZKYWBBRZUDGC-UHFFFAOYSA-N 464.591 5.472 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccco2)c1 23609877 RGNTVTQKIQBGLF-HXUWFJFHSA-N 486.601 5.026 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(OC)cc1 23998095 RGNPLGCBGMQMAR-INIZCTEOSA-N 456.999 5.529 30 20 JKED C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1[C@@H]1COc2ccccc2O1 26433695 GJQMAFJUQLGPRR-UZLBHIALSA-N 461.547 5.188 30 20 JKED COc1cccc(CN(C(=O)CSc2nc(C)nc(C)c2C#N)C23CC4CC(CC(C4)C2)C3)c1 29674154 HYAZKKYXOCVRBA-UHFFFAOYSA-N 476.646 5.063 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nnc1-c1ccco1 29991299 HUWKWHXQEHZOHH-UHFFFAOYSA-N 455.540 5.297 30 20 JKED N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)c1ccccc1 36676732 QYJZJKVAGBUOMM-UHFFFAOYSA-N 489.000 5.137 30 20 JKED Cc1oc2nc(S[C@@H](C)C(=O)Nc3ccccc3C#N)nc(NC(=O)c3ccccc3)c2c1C 39559287 YOGCZPTZTNULJH-INIZCTEOSA-N 471.542 5.083 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 97542624 CBLZFCRSYVZOBR-UHFFFAOYSA-N 456.473 6.009 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1 195556889 PBNGRASDMFZJDO-INIZCTEOSA-N 454.964 5.572 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)c2)cc1 497995641 CXDFXTWISRLHOS-HHHXNRCGSA-N 473.548 5.684 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 498298505 HNTZTBYPYVAXDQ-UHFFFAOYSA-N 475.595 5.217 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 499162460 BEHUSEAVFJPADO-LJQANCHMSA-N 469.975 5.031 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3sc4c(c3C#N)CCCCCC4)oc3ccccc23)s1 499776473 FORZPARYCAFWCR-UHFFFAOYSA-N 494.667 6.730 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c2ccccc21 499841357 LTFAMBLNMGGRHL-UHFFFAOYSA-N 466.541 6.279 30 20 JKED Cc1ccc(-c2csc3ncn(CCC(=O)N(Cc4ccco4)c4ccccc4C#N)c(=O)c23)cc1 500998825 NLOCXDNIFDPGEA-UHFFFAOYSA-N 494.576 5.522 30 20 JKED Cc1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1C(C)C 506846468 YPRBQSGARAKYAN-FQEVSTJZSA-N 452.543 5.184 30 20 JKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 506991721 ZMEJNYHCDITPFK-CQSZACIVSA-N 473.360 5.549 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 509818034 FEXQLXKBIFJCKZ-SFHVURJKSA-N 485.005 5.680 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccc(OC)cc1 510357748 ZBUULTRQYBAACR-KRWDZBQOSA-N 462.575 5.198 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 513655844 UXYROYGVEORTQA-GOSISDBHSA-N 476.330 5.403 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)s2)cc1 513676227 BAGMUAQLGXCMGT-QGZVFWFLSA-N 490.610 5.596 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)nnc1-c1ccncc1 514586743 LCZFKMQKEHAHEY-QFIPXVFZSA-N 476.005 5.960 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1 516347076 YFSVXCSNCZTYBL-NSHDSACASA-N 451.356 5.845 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 516713686 HJKRQKQZMOMSAH-INIZCTEOSA-N 470.394 6.346 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 518671266 WMHYEYJMTISMQD-RTBURBONSA-N 459.571 5.547 30 20 JKED Cc1ccc(C2=NN(C(=O)CNc3ccccc3S[C@@H](C)CC#N)[C@H](c3ccco3)C2)cc1 518758948 PFKULZPRMMKXJD-CVDCTZTESA-N 458.587 5.772 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(Br)cc1 519998721 FSXGPAJMTXWFKL-HSZRJFAPSA-N 478.346 5.319 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc(Br)ccc1OC(F)F 520197377 CXWPVYAUROIBJR-LBPRGKRZSA-N 470.339 5.766 30 20 JKED C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccccc1S[C@H](C)CC#N)OCCO3 521809022 SYUIDKNOCQEPPJ-MOPGFXCFSA-N 477.630 6.273 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@H]2CCCC[C@H]21 603624671 QWSPZNAQTJOUEO-ZPZUNKDASA-N 496.567 5.166 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 603696286 DNIDSUDVNNYLCA-UHFFFAOYSA-N 498.480 6.413 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 603717191 NRMXFBOFVJPPCM-QHCPKHFHSA-N 474.536 5.425 30 20 JKED CCOC(=O)c1sc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c(C#N)c1C 603776156 LWBXXIZMFYDXCW-UHFFFAOYSA-N 486.347 5.307 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)c2)cc1 603828675 QATLSKSVKUFQME-DEOSSOPVSA-N 464.569 6.224 30 20 JKED COc1ccc(OC2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 603829129 YNSQBIHDEAGTRL-VWLOTQADSA-N 475.976 6.079 30 20 JKED N#C[C@H](C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 603838323 FNKUULMJEBHKFT-CQSZACIVSA-N 485.312 5.096 30 20 JKED COc1ccccc1Nc1nc2sc(C(=O)Nc3nc(C)c(SCC#N)s3)cc2s1 603908738 KRCPMVTXJPSCAX-UHFFFAOYSA-N 473.630 5.743 30 20 JKED CCOC(=O)c1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)sc2c1CCSC2 603950851 OWJYKKAAQUBBLS-UHFFFAOYSA-N 468.556 5.010 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(OC(F)F)cc1 604142500 PACASAQGKRKPMS-BTYIYWSLSA-N 483.902 5.413 30 20 JKED CC(C)c1ccc(-c2nc(CC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cs2)cc1 604534587 CNUVXHWKRAKPCK-UHFFFAOYSA-N 472.614 5.225 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 609078909 CTYDFZDOTXLEEV-UHFFFAOYSA-N 494.595 5.534 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cc(F)cc4c3OCOC4)cc2Cl)c1 609080297 YAFTXVIKKXAOJK-UHFFFAOYSA-N 467.884 5.118 30 20 JKED CCCC[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)C(=O)Nc1cccc(N2CCCC2)c1 609083385 NYWGUSBDDCZMMO-FQEVSTJZSA-N 485.535 5.079 30 20 JKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CCSc2ccc(Br)cc21 609175743 ZUYFXATVHSXKRO-IBGZPJMESA-N 454.393 5.627 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)cc(Br)c1OC 609210830 KPSQGMJXCDGLKD-UHFFFAOYSA-N 454.708 5.239 30 20 JKED C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1Br 609378828 CLFXXCYRSGJJBC-NSHDSACASA-N 490.242 5.264 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 609388760 IUJCJACGZAVHNP-AWEZNQCLSA-N 492.548 6.022 30 20 JKED C=CCN(Cc1cccs1)C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 611782392 ZWTLYDLANWMPGC-UHFFFAOYSA-N 469.404 5.520 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cnn1-c1ccc(F)cc1F 613405288 WXEXNZBRIUXMMC-ZDUSSCGKSA-N 462.403 5.578 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 615001849 NWTNUHJLLPOXAF-UHFFFAOYSA-N 453.951 5.130 30 20 JKED CC(C)OCCCn1c(NN=C2CCC(C#N)(c3ccccc3)CC2)nc2ccccc2c1=O 725843965 YPZAEHFIXHTDIN-UHFFFAOYSA-N 457.578 5.015 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccsc2)cn1 726118196 JWERHZHQDYMWJX-JOCHJYFZSA-N 489.626 5.278 30 20 JKED COc1cccc2c1OCC(C(=O)[C@@H](C#N)c1nc(-c3ccc(Cl)cc3Cl)cs1)=C2 726321116 AMWZRKDTVNGAGK-MRXNPFEDSA-N 457.338 5.778 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(F)cc2)c1 726412589 PINJYGOYTXPXPS-QHCPKHFHSA-N 475.520 5.107 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(Cc3ccccn3)C2=O)cc1 726415152 IOKBALBGLCUWKG-DEOSSOPVSA-N 488.613 5.338 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@H](C)c1cccs1 726418870 FZHKBFPMBYOMJI-HQTCEHPBSA-N 480.055 5.136 30 20 JKED CCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Oc3ccccc3)cc2)cc1 726570181 VSAUTWBRWSLODI-UHFFFAOYSA-O 496.612 5.835 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc1-c1cccc(Cl)c1 726732736 ZIEQWOVNRJFVMI-KRWDZBQOSA-N 452.919 5.109 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccccc2Sc2ccccc2C#N)n1 726877308 GLJZQRIAFXKXEE-UHFFFAOYSA-N 490.639 5.075 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)c2ccccc2)c(Cl)c1 727264608 UDKBAJZUPQOUFV-CJLVFECKSA-N 492.978 5.838 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)n2)cc1 729887732 BIRRCAODVAJJJY-VXKWHMMOSA-N 475.614 6.341 30 20 JKED COc1cc(/C=C2\CCc3nc(-c4ccccc4Br)sc3C2=O)cc(OC)c1OC 730435939 HRXRFQODJXXFJY-GXDHUFHOSA-N 486.387 5.811 30 20 JKED CCOc1cccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)c1OC(F)F 730584952 ISNRPCDSBYWURD-UHFFFAOYSA-N 489.331 5.335 30 20 JKED C[C@H](OC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)Nc1sc2c(c1C#N)CCC2 730609837 SCVWKFNQCIEWNB-NSHDSACASA-N 493.532 5.240 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cocn2)c1 730718403 IZZORCMMIIQRMS-XMMPIXPASA-N 484.581 5.551 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)no2)c1C 730857422 COERYOVUUHLAKC-UHFFFAOYSA-N 471.435 5.081 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1Cl 730896768 CSIXYIFBJWIFGG-IRLDBZIGSA-N 473.882 5.869 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2cccnc2)c1 730944479 XCFKKNIWPIMHAE-OFVILXPXSA-N 486.641 6.037 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 731081195 ZHENKGSJTSHICK-KBMXLJTQSA-N 463.386 5.673 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 731378120 KBJSMHMTMUNDAF-LJQANCHMSA-N 497.576 6.056 30 20 JKED CCn1c(SCC(=O)N2CCCSC2=Nc2ccccc2)nnc1-c1cccc(C)c1 732950023 DILWPFFXFMWMHU-UHFFFAOYSA-N 451.621 5.019 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1OCCCC#N 747473188 XXRIQWFFRMBKBJ-UYRXBGFRSA-N 494.516 5.682 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCc3nccs3)C2=O)cc1 747599621 KZISPJZXZMUENG-LJQANCHMSA-N 485.034 5.308 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCCCOCc2ccccc2)C1=O 747602763 NVRHFALSWBFZNR-FQEVSTJZSA-N 494.444 5.058 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)/C(=C\c2ccc(F)cc2)c2cccs2)CC1 748667621 JZIXBVFGAMFMGZ-KQWNVCNZSA-N 468.557 5.196 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc(Br)c1OC(F)F 750901276 DFHDWLVXSPBORT-BJMVGYQFSA-N 480.305 5.472 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@@H](COCC(C)C)c2ccco2)C1=O 750917757 WSGOULBZZKQGPN-PKOBYXMFSA-N 498.432 5.068 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1Cl 751260338 BUBVWAXLEKANCE-HNNXBMFYSA-N 452.750 5.498 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)cc2)c(C)s1 914694452 KHQLAIKAXLOQNX-DJJJIMSYSA-N 462.040 5.380 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@@H]1c1ccc(OC)cc1 915085936 QPJICQSLVGEGBK-XEVVZDEMSA-N 495.623 6.069 30 20 JKED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)c1sc3ccccc3c1Cl)CCCC2 915368544 KYZWVDQFGQVNFD-HNNXBMFYSA-N 498.004 5.081 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 915656227 HPFVFORGGLBEQS-AOYPEHQESA-N 455.945 5.898 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 915751247 CTZLEOSUHLBKGW-VXKWHMMOSA-N 461.974 5.287 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CC2)cc1 916206580 PJONQIUWHHDZNG-FQEVSTJZSA-N 475.536 5.952 30 20 JKED N#C[C@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916845948 ZQGGEVXFDKEDNH-OAHLLOKOSA-N 453.614 5.244 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1ccc(Cl)cc1 916885431 WSQCCTFNMDLSHF-QGZVFWFLSA-N 463.868 5.372 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 916927832 PFQBDMBOIHOLLB-MRXNPFEDSA-N 469.284 5.606 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997157 SDNHJRWLUPOOMT-IBGZPJMESA-N 499.423 6.237 30 20 JKED CCC(=O)c1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916997899 ZUVLUTFTFAKMII-QGZVFWFLSA-N 459.354 5.965 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)c1 917663527 RMIURODXGRJGGK-ROKPMTFOSA-N 494.636 5.030 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(C)s2)C1=O 917678012 MRZFTVOVPBTPKI-OAQYLSRUSA-N 483.590 5.365 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccc(C)n2)cc1 917683352 WVZRPPHDRBQAIT-QHCPKHFHSA-N 458.587 5.167 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cccc(F)c3)C2=O)c1 917703580 PBLFAPJDWKZXEU-DEOSSOPVSA-N 486.572 5.475 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c1 917713099 FHBRQVMGPUWMPQ-UHFFFAOYSA-N 474.007 5.223 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c(=O)oc2c1 919825449 IQTUHRGIPWCGCS-UHFFFAOYSA-N 454.482 5.345 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)c1 919907317 NFXFPJOSPVTXDI-HELSZXIZSA-N 476.602 5.022 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)n2)cc1 920140687 BDITUZKJUSNJBY-ILBGXUMGSA-N 480.545 5.763 30 20 JKED CCCCCCn1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c2ccccc2c1=O 920144071 XGDNRFYHIOAZNW-QFIPXVFZSA-N 486.597 5.599 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 920175755 LROQNRPSFWGILN-HOYKHHGWSA-N 470.598 5.292 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2c(C)noc2C)cc1 920355215 JGCXFLDWLXCYOR-QHCPKHFHSA-N 476.602 5.323 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cc(C)on2)cc1 920357337 XPPAAZCUIVMPNX-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cc(O)ccc2C)c1 920485181 PEWFRVVYBXHXQI-UHFFFAOYSA-O 490.649 5.725 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920804388 QBJRJOQYQWKLTP-DENIHFKCSA-N 487.531 5.826 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1OC 920871680 XIGUIEKJGHEWGI-KOSHJBKYSA-N 491.613 5.091 30 20 JKED NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cccs2)[n+]2ccc(Cc3ccccc3)cc2)C=C1 1318167061 RHUFWNFTZUEFLA-UHFFFAOYSA-O 472.615 5.133 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)C1 1780917944 KHTRQXLTUQPWOL-ZJSXRUAMSA-N 498.973 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc2)CCC1 1785998388 GTZQHBOSTOUGII-SFHVURJKSA-N 457.615 5.026 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)CCC2)cc1 1786365963 ADOUEWSKMPAQLD-UHFFFAOYSA-N 467.516 5.177 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(CCCCC)s3)CCC2)cc1 1786373880 QLVHMWVWWSUYJD-GOSISDBHSA-N 455.624 5.215 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OC(C)(C)C4)CCC2)cc1 1786678206 LVESXTXCGCEGEZ-UHFFFAOYSA-N 450.604 5.067 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c4CC[C@H]5C)cc3)CCC2)c1 1789010182 FPSRARTTWZXBEG-QZTJIDSGSA-N 467.573 5.148 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)cc2)CCC1 1789219508 KTFPQNUHFRFPDW-UHFFFAOYSA-N 480.033 5.864 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)CCC1)c1ccc(O)cc1 1789279130 GVEYZNQSFNCFFW-NRFANRHFSA-N 492.579 5.213 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5scnc5c4)CCC3)cc2)c1 1790073177 PZIFJCVXVVEPNQ-UHFFFAOYSA-N 482.565 5.238 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4c(C)oc5cc(O)ccc45)CCC3)cc2)c1 1790073279 ZBZOBQSPWVOMKN-UHFFFAOYSA-N 495.535 5.389 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)ccc5c4OCO5)CCC3)cc2)cc1 1790289956 FKWPYVMTOBKEBY-UHFFFAOYSA-N 473.916 5.002 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)CCC1)C(F)(F)F 1790344798 CZNSVVKBFVUVOO-UHFFFAOYSA-N 452.860 5.215 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)ccc5F)cc4)CCC3)cc2c1 1790763711 JJXQDFDAUMBBFY-UHFFFAOYSA-N 483.499 5.514 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CCC2)cc1)C(F)(F)F 1791305412 DUKGUENTVFVODE-KXBFYZLASA-N 497.558 5.178 30 20 JKED CC(C)N[C@@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1)C(C)C 1792122275 ILUDXMAQZNBMSM-NBGIEHNGSA-N 460.622 5.084 30 20 JKED CCc1noc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792124904 OTYLAJJSLGFUEP-KRWDZBQOSA-N 456.546 5.234 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)C(C)(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792203963 BAFQYPASSGSDJN-HXUWFJFHSA-N 457.615 5.026 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(C(F)(F)F)coc1C)c1ccccc1 1797102427 PLWDRTIXBQZUSY-WOZUAGRISA-N 472.507 5.056 30 20 JKED CC#CC[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccncc1-c1ccccc1)C2)c1ccccc1 1798556233 XEYCAPCAQSEFTI-XUJYPJAKSA-N 477.608 5.198 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1803122862 MQJVFKKGKVDWHK-XFAFFCHDSA-N 463.597 5.018 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)sc2Cl)C3)c1 1803680995 KGWBCLMDWQWBCG-SJWGOKEGSA-N 462.402 5.248 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1804172825 HRHTWNBBRGNPRC-CJFMBICVSA-N 496.032 5.234 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)C1 1805050365 IPJILNLKONVVFD-UHFFFAOYSA-N 470.057 5.323 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1808877556 WZGZBJKKDROICU-AOYPEHQESA-N 451.655 5.462 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@@H]1c1cccnc1 1809396831 QNITURYJBUMEQM-RDPSFJRHSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)[C@@H]1c1cccnc1 1809701528 OBWCGJZHFXROHK-CYFREDJKSA-N 462.569 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@H]1c1cccnc1 1810175373 QJAKZUMXEOZPNU-TWPCCNOHSA-N 475.658 5.470 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1810499374 CQXQJORGOYZRTD-JYFHCDHNSA-N 470.617 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)[C@H]1c1cccnc1 1810503430 PLCXFCVTYMZQAL-AFESJLNVSA-N 479.640 5.659 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccnc1 1811103806 QOWHPTVSJJNJIN-UWJYYQICSA-N 475.420 5.095 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)sc3Cl)[C@H]2c2cccnc2)cc1 1811362608 RRTCYIZKHZHPDQ-RXVVDRJESA-N 499.423 5.149 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(F)c(Cl)c3)[C@@H]2c2cccnc2)cc1 1811889368 OUVWPKOMOQDPOT-FDDCHVKYSA-N 497.357 5.033 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2c3ccccc3n3ccsc23)[C@@H]1c1cccnc1 1813226824 AOWHITVVUCIWMU-HFZDXXHNSA-N 484.625 5.062 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)ccc2[nH]1 1814379473 ZFRKERAFVFZHLM-RUZDIDTESA-N 480.572 5.010 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)[nH]n1 1814826901 FYHGNKCJNHLLQT-QFIPXVFZSA-N 473.577 5.447 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc(-c3ccccc3)ns2)n[nH]1 1817675124 PZTVFLZOOLNRNA-FQEVSTJZSA-N 476.606 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(OC)c2)n[nH]1 1817741856 XIRPEINUIOEALO-WIOPSUGQSA-N 499.615 5.555 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165081 BIMVLUCHFUCUMQ-OXJNMPFZSA-N 497.983 5.430 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)c1 1820589409 HVMQWJBTBKDLGP-OPAMFIHVSA-N 495.505 5.675 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccnc4SCc4ccccc4)sc3C2)C1 1820995189 BSVQPOATVWZFLW-IBGZPJMESA-N 490.654 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c(C#N)c2)n[nH]1 1821242600 JWBSQUDICHPCKT-WIYYLYMNSA-N 496.409 5.118 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3cc(F)c(F)c(F)c3)n[nH]2)c1 1822283467 SBOBFJLDQSSBCL-BDNZGDGKSA-N 493.489 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)[nH]n2)c1 1823210744 HRQFUBMTOATOJL-IIBYNOLFSA-N 469.536 5.168 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823211547 NWIUTNZQFIIEBT-HHJKRLRDSA-N 485.588 5.155 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4c(c3)CCC4)[nH]n2)c1 1823211912 PLUFTNRHQJTSIY-AFMDSPMNSA-N 481.600 5.074 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cccnc34)[nH]n2)c1 1823214577 GLOGJNVVMVIVNZ-HOYKHHGWSA-N 478.556 5.205 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)n3C)[nH]n2)c1 1823215666 ZTEHPFDJAYNSJA-DNVCBOLYSA-N 498.509 5.014 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 1823676173 QKZHGTBDIUBZQF-FCHUYYIVSA-N 462.059 5.009 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)cc1 1823685238 OBIKEJPMVJTVEJ-RUZDIDTESA-N 495.570 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)CC1 1824153859 RCYINUQXYUSQAR-RUZDIDTESA-N 481.681 5.408 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1824500616 GJFXNXIOMFBKBQ-HSZRJFAPSA-N 480.571 5.230 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824541928 NCRKFBNTDAARRU-JYFHCDHNSA-N 478.658 5.774 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2scnc2C(F)(F)F)CC1 1826204400 WREWWSBNVPAISA-ZWKOTPCHSA-N 469.573 5.164 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1826312972 WDONUDGAPBODOD-AHKZPQOWSA-N 475.608 5.053 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)CC1 1828002134 XPQJEQHSYCYVPL-MHZLTWQESA-N 489.736 5.519 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166212 KTIKTDGZABECBZ-RHSMWYFYSA-N 451.057 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1828827504 XCBUYPDRNRTITL-DNQXCXABSA-N 477.674 5.812 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1828830552 PUWBTOWNFATQKA-IGKIAQTJSA-N 479.640 5.628 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)COCc2ccccc2)CC1)c1ccccc1 1829032434 JUNHKKNVQMDTNM-VMPREFPWSA-N 486.656 5.020 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829577099 QKPREKZGFASMLP-JOCHJYFZSA-N 497.611 5.894 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccsc3)CC2)c1Cl 1829689015 XXINXWQPISFTOD-QFIPXVFZSA-N 470.038 5.139 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830633311 JTUBEEQSBMYFLS-WXVAWEFUSA-N 457.618 5.098 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(F)CCCC=C3F)CC2)c(Cl)c1 1830723214 QUMLCYFQWBLWFF-OFVILXPXSA-N 475.967 5.191 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cnc1C 1830755290 VTPYUYIYDBYGNG-XMMPIXPASA-N 498.549 5.136 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831310420 PLLCDWNHOLMPBA-FQEVSTJZSA-N 490.488 5.218 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@H](C)c3ccccc3)CC2)c1 1831510777 QHVNQLMIZZXMMT-JWZKTCGFSA-N 471.645 5.741 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1831926951 HNAQVRVFKWEKAN-ZBAJWAEMSA-N 498.614 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1832092277 NMKTYDSQWOFTLP-RPWUZVMVSA-N 491.598 5.421 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4c(c3)CCCO4)CC2)c1Cl 1832562163 FQFKUIPPHRBATH-XMMPIXPASA-N 492.019 5.084 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1832630000 WWLLQIIJUIJGCH-JVARCLPSSA-N 487.619 5.490 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)cc1C#N 1832704483 LPBJVOZMFSYCMX-BTLUKQCFSA-N 491.676 5.549 30 20 JKED O=C(CC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711440 KYOVJUNURGZLOD-QGZVFWFLSA-N 468.413 5.030 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1832828438 CKPRMAXDYPMQDK-DEOSSOPVSA-N 455.042 5.185 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc4c(F)c(F)ccc4c3)CC2)CC1 1838424785 XYUNWGGZNYLALX-UHFFFAOYSA-N 499.602 5.118 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(Cc4cccc(F)c4)c3)CC2)CC1 1838749994 QSTLUXITTDGUKE-JOCHJYFZSA-N 492.635 5.241 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nc2scc(-c3ccccc3)c2c1=O 9041768 PUWQCQFWLSXVEG-QGZVFWFLSA-N 461.612 5.739 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)C(=O)N(CCC#N)c1ccccc1 10441390 QOWGIZZYGCUZME-KRWDZBQOSA-N 490.535 5.091 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(-c2ccccc2)cc1)=C(/S)Nc1ccccc1Cl 10825745 CSSKRUMNDDHBOF-UHFFFAOYSA-O 472.033 6.908 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)c(C)cc2C)=C(/S)Nc2cccc3ccccc23)cc1 11126415 OSXDNNZXMWYLTH-UHFFFAOYSA-O 453.631 6.666 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccccc1OC 12477441 CUCPBRZRZJXNJC-UHFFFAOYSA-N 490.633 5.276 30 20 JKED Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccncc1 16762294 VPYGCICWZMFZBZ-INIZCTEOSA-N 474.977 5.282 30 20 JKED COc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)c1 16790161 KQNCCWDSKBYYHD-HNNXBMFYSA-N 493.976 5.239 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1OC 21129651 MQJQLNIJBRLDTL-CQSZACIVSA-N 473.396 5.022 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)ccc1OC(F)F 21674845 GYLPHOLMGUFQSJ-FNORWQNLSA-N 480.439 5.612 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 22137480 LEZNHIVKIUUZSX-WXTAPIANSA-N 479.650 5.419 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(CO)c2)cc1 22695214 SJLJZHXDNNXFPK-UHFFFAOYSA-O 476.405 5.223 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2cccc(OC)c2)nc2scc(-c3ccccc3)c2c1=O 23404454 WIMMSNWFESSOSJ-QGZVFWFLSA-N 491.638 5.117 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 32786379 QXAGMZMVWRZKCI-OAHLLOKOSA-N 475.599 5.466 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nnc2-c2ccncc2)cc1C 36849856 UAWGLCPGYHAXQB-UHFFFAOYSA-N 486.626 5.293 30 20 JKED N#CCCN(C(=O)CCC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1 110939817 ZIAWXIOHKWJFLU-RUZDIDTESA-N 464.569 5.143 30 20 JKED CC(C)(C)OC(=O)CCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 114817916 OSWPELSPIJNCIB-UHFFFAOYSA-N 453.620 5.787 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 195553098 ZYGWSJFBHBUNNJ-UHFFFAOYSA-N 457.958 5.691 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@H](c3ccccc3)N3CCSCC3)c2)cc1 195739171 JSFYKCARGQLQCD-SANMLTNESA-N 457.599 5.060 30 20 JKED CC(C)(CNC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(Br)c1 303112913 GLQRAKYDTZAOQM-UHFFFAOYSA-N 453.336 5.200 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)c2)cc1 482192547 KOZFAHRXLHLFEP-JOCHJYFZSA-N 455.539 5.786 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cn4ccnc4)cc3)s2)c(C(F)(F)F)c1 487419273 RWLPIRWMXMLVMD-UHFFFAOYSA-N 467.476 5.121 30 20 JKED Cc1ccc(C[C@@H](C#N)Sc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)cc1 494169881 YUYGHYLULOAOQQ-FQEVSTJZSA-N 485.579 5.807 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)c2)c1 495490690 LIRNTTVMWCKFIN-UHFFFAOYSA-N 460.555 5.106 30 20 JKED COc1ccc(CN2CCC(CNC(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc1 499270650 GBXGHPVABHLXGQ-UHFFFAOYSA-N 471.626 5.360 30 20 JKED Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 503280443 AIEGOMPNVYOGHK-UHFFFAOYSA-N 468.561 5.255 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 506572493 ZKAXDYGVBXGOPW-GOSISDBHSA-N 481.581 6.125 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)cc1 508166164 TVSNHOOSZOTPDX-UHFFFAOYSA-N 468.479 5.266 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)[C@H](C)c1ccc(C#N)cc1 509576795 YPZKOFRBAIMLEW-LJQANCHMSA-N 451.526 5.709 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)cc1 511002709 XNBANLDNZYSUKE-HXUWFJFHSA-N 467.013 5.065 30 20 JKED N#C[C@@H](C(=O)c1ccccc1SCc1cn2ccccc2n1)c1ccc(C(F)(F)F)cn1 513176352 QDPABKFPOZLMAQ-GOSISDBHSA-N 452.461 5.530 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c2cnn(C(C)C)c2n1 513654413 LIVUHORDIUMIGO-LJQANCHMSA-N 451.555 6.087 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nc2ccccc2s1 514218381 LTOXRSHLRFFMOY-SFHVURJKSA-N 466.349 6.345 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 514558986 OUVKXYGUSQSXDT-HDICACEKSA-N 483.996 5.421 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl 515163669 VZXNOZGNSHNYEQ-QGZVFWFLSA-N 457.448 5.121 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCOc2cccc3ccccc23)cc1Cl 516066251 DPKWNONLGQAFLY-XMMPIXPASA-N 483.955 5.282 30 20 JKED CCCN(C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)c1cc2ccccc2o1 516265735 WRPZQPOKDLMSGK-OAQYLSRUSA-N 495.579 6.016 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3SC[C@H](C)C#N)s2)cc1OC 517456273 IPUUVYPYOOAKGW-CQSZACIVSA-N 453.589 5.640 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)n1 517915866 SESYVQWGLKQBOK-NRFANRHFSA-N 462.571 5.686 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 518642621 CVMOJYOIQXZRQN-SFHVURJKSA-N 476.901 6.049 30 20 JKED Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)s1 519440773 VMYBSELUAYOFCA-LJQANCHMSA-N 477.655 5.518 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccccc1CN(C)C1CCCCC1 520193120 DZAPZUMBJBEJFZ-FQEVSTJZSA-N 478.662 5.100 30 20 JKED N#Cc1ccnc(N2CCN(C(=O)c3oc4ccccc4c3CSc3ccccc3F)CC2)c1 520705592 SBZWMDIKTIKVTP-UHFFFAOYSA-N 472.545 5.093 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cnn1-c1ccc(F)cc1F 521258533 AKOQJKZLIVXPMA-CYBMUJFWSA-N 456.424 5.351 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 521293198 IOHFXFUDZYQPPI-MRXNPFEDSA-N 496.778 6.403 30 20 JKED CC1CCC(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)CC1 521790055 LFXAEPNFNDJMLK-CKDBGZEDSA-N 453.530 5.077 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)NCc4ccncc4)c3)cc2)c1 521811162 VXWRRXLDMNRODB-UHFFFAOYSA-N 492.539 5.389 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)ccc2c1 522451010 YBERNBRDKHROLM-UHFFFAOYSA-N 495.535 5.118 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(OC3CCCC3)nc2)cc1 581376140 MQBSGIXYBCCNCO-UHFFFAOYSA-N 458.537 5.326 30 20 JKED C=CCN(C(=O)CCc1c(C)nc2c(c(C)nn2C)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 591316442 AEGGQMUIOWMPAM-UHFFFAOYSA-N 490.589 5.077 30 20 JKED Cc1nc(CSc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2)cs1 603765797 ZNDWVXQAPBRKQL-UHFFFAOYSA-N 458.568 6.055 30 20 JKED CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 603821176 BMIMGEDOVNJGCZ-UHFFFAOYSA-N 479.627 5.180 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)o1 603835956 CCWCYDIYDNRGPB-UHFFFAOYSA-N 451.454 5.308 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])n2)cc1 603836658 WUEASXGNPWIIRK-INIZCTEOSA-N 461.421 5.458 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)o1 603880849 IZSHSYGLGCPUBN-OAQYLSRUSA-N 467.928 5.090 30 20 JKED CN(CCOc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 604164847 RTZMDQZCWRAXOB-QFIPXVFZSA-N 482.367 5.125 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnc1-c1ccccc1 604548121 YBKDUUQQCIXWRW-JKSUJKDBSA-N 465.648 5.705 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(C(F)(F)F)c1 608845338 RULLMABGNYWUAI-QFIPXVFZSA-N 482.462 5.216 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccc(C(C)C)cc3)o2)ccc1Cl 608929939 DLJGYSRFGLZTPS-UHFFFAOYSA-N 454.983 5.861 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)o2)cc1 609057326 NXUXDWMPBKDWSI-ZIAGYGMSSA-N 460.374 5.370 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609078324 IZZRPJDAKCZDIF-VWLOTQADSA-N 471.557 5.832 30 20 JKED CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609084792 FUCAOOAWOZAGBM-KRWDZBQOSA-N 477.948 5.005 30 20 JKED N#C[C@@H](NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccc(OCc2ccccc2)cc1 609174043 FOWZHLPEPZHNJN-OAQYLSRUSA-N 487.357 5.413 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(SC)cc1 613425583 BVEYIDRXQIFCMG-OAHLLOKOSA-N 475.039 5.538 30 20 JKED O=C(N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 624888040 NTAOAIKQWYMKFD-INMHGKMJSA-N 476.383 5.030 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nc(-c2ccc(Cl)cc2)cs1 642281955 VTDWKOXMGQBIIJ-UYAOXDASSA-N 451.935 5.071 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N/CCc2ccccn2)c(C)s1 726109389 OEGVWQWWWQSNNF-VAPRLZSCSA-N 492.670 5.392 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1cnn(CC)c1 726117630 DJJJHXFAHIZHOX-QFIPXVFZSA-N 463.607 5.207 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 726319521 JQYCCDAVQIDLPL-OOEPIQFGSA-N 465.638 5.322 30 20 JKED N#C[C@H](C(=O)C1(c2ccc(Br)cc2)CCOCC1)c1nc2ccccc2n1C(F)F 726322133 GEYYINAGUHXAGG-MRXNPFEDSA-N 474.305 5.119 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 726394245 TYZNGOATMNVCHR-JPYJTQIMSA-N 461.587 5.225 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(C#N)c(Cl)c1 726404929 AOEFJFSENVKTHD-LJQANCHMSA-N 489.384 5.020 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2F)cc1F 726413650 ZFZYDHNDHWFEIG-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccs1 726858049 FGFPBNWUSAELLH-AWEZNQCLSA-N 472.020 5.289 30 20 JKED N#CCOc1cccc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3cccc(OCC#N)c3)C2=O)c1 727744126 CDWZCMJNPGJKQR-OTMNIUQESA-N 475.548 5.043 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2c[nH]c3cccc(C)c23)C1=O 728421286 RPSQJAYJVQIZCK-LJQANCHMSA-N 489.428 5.093 30 20 JKED N#C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(OCc2ccccc2)cc1 729369629 IUVRTQWFBAZGBH-XMMPIXPASA-N 460.624 6.129 30 20 JKED O=[N+]([O-])c1cccc(-c2ccc(C=Nn3c(S)nnc3COc3c(Cl)cccc3Cl)o2)c1 730583870 NGBHUTRILNNMTF-UHFFFAOYSA-N 490.328 5.503 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(SC(F)(F)F)cc1 731064708 WQQGEOBFCQMFFG-CYBMUJFWSA-N 454.495 5.488 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 731130886 VEVXYBODZTZGAK-SQHAQQRYSA-N 462.553 5.516 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c1 731313365 WWOUKGFKYADMGX-HXUWFJFHSA-N 469.563 5.062 30 20 JKED CCOc1ccc(N2C(=O)/C(=C\Nc3ccccc3S[C@@H](C)CC#N)c3ccccc3C2=O)cc1 731339243 RLMUYWHYGXGKQN-NWUSPQHDSA-N 483.593 6.120 30 20 JKED CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)[C@@H](C#N)c1nc(C)cs1 742540274 FQBWSKVTADKQBL-OAHLLOKOSA-N 461.410 5.066 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2ccc(SC)c(OC)c2)c1=S 746715401 QIZUCCPTKDSRKE-UHFFFAOYSA-N 461.056 5.740 30 20 JKED COc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)ccc1OCC(F)(F)F 750923429 XGQYIKJNVPPZJX-UHFFFAOYSA-N 472.492 5.143 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(C)cc1C 799215799 PHFCAPOISNRPNU-SFHVURJKSA-N 460.386 5.204 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccccc2COC(C)C)c1 914543781 MURDLFHWIWBKIN-DEOSSOPVSA-N 479.646 5.029 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 915087708 WMINUBACVOMVMU-RUZDIDTESA-N 479.609 5.590 30 20 JKED CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102645 BTIYRSUURONAMR-WIYYLYMNSA-N 497.407 5.522 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 915351938 DMPLUSSRQLLMQR-HHHXNRCGSA-N 464.569 5.431 30 20 JKED CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c12 915578100 LSOSOUGKXMGIGR-UHFFFAOYSA-N 484.556 5.597 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccc(OCc2ccncc2)cc1 915945801 ZGNKNVDYVZPJQT-UHFFFAOYSA-N 456.358 5.397 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(C#N)cc2)NC(=O)N1Cc1ccccc1 916156614 VUCYVZCFOSRIIJ-XMMPIXPASA-N 490.485 5.756 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3ccco3)C2=O)cc1 916208052 RXJHIVUSFAYQNJ-HSZRJFAPSA-N 475.570 5.260 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCCC3)C2=O)c1 916210995 JHAAUGMGTMISDN-OAQYLSRUSA-N 488.009 5.260 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccc(F)cc2)cc1 916212557 XVGAPUOZDVUGCV-QFIPXVFZSA-N 499.514 5.273 30 20 JKED FC(F)(F)c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 916305222 MTDKFEYFQWRDDN-UHFFFAOYSA-N 454.437 5.067 30 20 JKED C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916721939 CTHIGWWXNNXFDN-JMBSQFONSA-N 477.030 5.158 30 20 JKED Cn1c([C@H](C#N)C(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)nc2ccccc21 916844736 AFPAZUKYBSTHDN-HXOBKFHXSA-N 460.331 5.332 30 20 JKED Cc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)o1 916906810 UIVPXBGUXMEYCZ-IBGZPJMESA-N 457.511 5.394 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc1 916948257 FMPYKKLBNZORJO-QKKBWIMNSA-N 466.379 5.642 30 20 JKED CCCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917043528 MRBKFFKSZAIBQC-KRWDZBQOSA-N 460.477 5.943 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917047542 ZZBUSLPMNKUCIP-GOSISDBHSA-N 455.370 5.825 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cs1 917560631 UAQQEXRQPXRHGO-OUBUNXTGSA-N 463.490 5.705 30 20 JKED N#Cc1ccccc1NC(=S)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F 917586921 DKHCLMUCYFDZPV-UHFFFAOYSA-N 458.331 6.003 30 20 JKED N#Cc1cccc(COc2cccc(N/C=C3/C(=O)N(c4ccccn4)C(=O)c4ccccc43)c2)c1 917600712 FVCOCPJCSRHIEK-NLRVBDNBSA-N 472.504 5.172 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2ccc(C)s2)c1 917666714 KADZJXYHVHUXDF-JOCHJYFZSA-N 495.626 5.234 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(NC(=O)OC)c2)ccc1Cl 917706474 NEHLPOORIQLBRY-UHFFFAOYSA-N 499.976 5.152 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c1C#N 919034858 FUSBLOXSAFNQEB-UHFFFAOYSA-N 499.017 5.704 30 20 JKED Cc1cc(C(=O)OCC(=O)N(CCC#N)c2cccc(C)c2C)c2ccc(Br)cc2n1 919522546 QPAOBROWOGKUNU-UHFFFAOYSA-N 480.362 5.026 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 920140540 ICKPUAMZAGAASZ-KRWDZBQOSA-N 456.354 6.024 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)[n+]1cc(O)ccc1C 920483785 MQCPRWLNJRDHKT-UHFFFAOYSA-O 497.040 5.680 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc(-c3c(F)cccc3F)cs1)O[C@@H](C)C2 920806153 HVHHGDUIXRRNKT-KDCQFRKDSA-N 466.509 5.700 30 20 JKED C[C@@H](OC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 920913339 MTZKKDYWHYEDOZ-OAHLLOKOSA-N 497.617 5.188 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOCC(F)(F)F)cc1 932789793 OUZBZGNBSJWNKD-FQEVSTJZSA-N 493.551 5.151 30 20 JKED CC(C)(C)c1ccc(CC(C#N)(Cc2ccc(C(C)(C)C)cc2)C2=N[C@@H]3c4ccccc4C[C@H]3O2)cc1 1772768967 LISFIJUZESKNLC-LOYHVIPDSA-N 490.691 7.671 30 20 JKED CC#CC[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1oc3ccccc3c1C)C2)c1ccccc1 1779477395 DXEZQLBFJCOPMI-LMGPPYNSSA-N 498.623 5.066 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CCC2)nc2ccc(Cl)cn12 1785882443 FCDGQZKBMSKSJV-UHFFFAOYSA-N 497.986 5.158 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(F)c(F)ccc4c3)CCC2)cc1 1786395149 QIRBJJXNCBCXDV-QFIPXVFZSA-N 469.557 5.215 30 20 JKED COc1ccc2[nH]cc(/C=C/C(=O)NC3(c4ccc(NC(=O)[C@@H](S)C(C)C)cc4)CCC3)c2c1 1786395256 UUNTYMUVYDZCQY-PYVFBFEOSA-N 477.630 5.278 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1786679400 BGKILSHMFGUYEQ-UHFFFAOYSA-N 457.599 5.416 30 20 JKED O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1787875692 ZOLFVAXQHPZJKV-UHFFFAOYSA-N 476.392 5.474 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)o4)CCC3)cc2)c(C(F)(F)F)n1 1788357221 ARRLHKYVHCIEJF-UHFFFAOYSA-N 488.853 5.280 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C[C@H]3CCc4cc(OC)ccc4C3)cc2)CCC1 1789167238 YBMVRCFJMNSHCD-QFIPXVFZSA-N 490.644 5.307 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4Cc5ccccc5O4)cc3)CCC2)c1 1789175741 XADOMHAGBQBPIV-NIYFSFCBSA-N 465.553 5.065 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4cccc(Br)c4[nH]3)cc2)CCC1 1789328851 HGJRMIGCJNXNJX-UHFFFAOYSA-N 498.446 5.597 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CN(Cc3ccccc3)C(=O)OC)CCC2)cc1 1789458150 NGRGGHXNVWJBAE-VWLOTQADSA-N 489.616 5.158 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)[nH]n4)CCC3)cc2)c1 1790074342 NYMJZKRCJCIKHE-UHFFFAOYSA-N 491.551 5.018 30 20 JKED CCc1c(Br)cccc1C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1790746586 GBWFXSULODBXRL-UHFFFAOYSA-N 454.368 5.063 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)Cc3cc4ccccc4n3C)CCC2)cc1 1791295976 JAGNEDFSTALMSP-UHFFFAOYSA-N 451.517 5.066 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CCC2)cc1)C(F)(F)F 1791305852 WXUFYTRDJUYCRG-IBGZPJMESA-N 497.558 5.178 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@]4(F)Cl)cc3)CCC2)cc(C(F)(F)F)c1 1791678440 SANHXVCYCYHIIQ-GCJKJVERSA-N 479.861 5.249 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)CCCc3ccnc(-c4cc(C)ccn4)c3)cc2)CCC1 1791763548 ZCGYUMFHEYKFOM-UHFFFAOYSA-N 480.612 5.322 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cnccc5c4)CCC3)cc2)c1 1792123454 BYLUFFLFINAOPD-FQEVSTJZSA-N 474.564 5.923 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](C)n3cccc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792206752 RRTQPFIQCRPYMG-NFBKMPQASA-N 494.636 5.043 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)nc1C(F)(F)F)c1ccccc1 1796458593 LOEKPNNSHXCOCS-JTLUYSSBSA-N 498.549 5.054 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)cc(C)nc2c1 1797958309 KNLHNJTUXVRTJC-PLACYPQZSA-N 451.998 5.217 30 20 JKED Cc1cc(Br)sc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC#C[Si](C)(C)C 1798420389 CBLUMTAAUQILMG-BCDXTJNWSA-N 495.559 5.122 30 20 JKED Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)o1 1800398655 SPYLLMSIODUYDC-MUJYYYPQSA-N 492.391 5.330 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]3c3cccnc3)ccc21 1802690909 DLNTWDHYIXIPMV-CUNXSJBXSA-N 493.611 5.079 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1803089935 DLWQJRDDARHZHL-REWPJTCUSA-N 489.513 5.328 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sccc3s2)[C@@H]1c1cccnc1 1810171491 FZPYJNDIWSBPKZ-DNVFCKCGSA-N 465.644 5.446 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(C)cccc3[nH]2)[C@@H]1c1cccnc1 1810499583 ZNDWQWVUKNHEBE-SQJMNOBHSA-N 458.606 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1810502474 JIFBELDUSKFGBU-RBBKRZOGSA-N 489.538 5.292 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(C)c(F)c2)[C@@H]1c1cccnc1)c1ccccc1 1811810447 PUBFXHQLXFZFOV-PBWSGDRGSA-N 483.587 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 1811935906 GLXJDRNXYTULSQ-WOTGAKFBSA-N 499.014 5.038 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3sccc3c2O)[C@@H]1c1cccnc1 1812198613 XSMHUWKCQZLZNT-RDPSFJRHSA-N 475.614 5.090 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)nc3ccccc23)[C@H]1c1cccnc1 1812588140 BJIGAHPSVWUBFN-KDLAUNOPSA-N 496.533 5.180 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1812756256 ZSKXFVPYHIOHEW-WSHBGFIESA-N 489.736 5.251 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c(Cl)c1 1813833362 MOBSRFWWEBQKFW-FRPAHBMMSA-N 487.003 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1813964489 PUAUJWJTPQPMFV-PGRDOPGGSA-N 491.529 5.552 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)[nH]n2)C1 1814397742 XMCPYBKOQJUHTL-FYYLOGMGSA-N 455.002 5.461 30 20 JKED CC(C)(Cc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1814787464 CTMAWYANOZKSEZ-DEOSSOPVSA-N 469.589 5.051 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1F 1815160943 TUQCRXQCJPNSCU-DFBJGRDBSA-N 487.579 5.423 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)nc(CC)c2)n[nH]1)c1ccccc1 1818366725 NTUGFVIQJCTAQK-AOYPEHQESA-N 483.616 5.179 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn3ccc(Cl)cc3n2)n[nH]1 1818781801 APYDHYDYKGXZFX-IBGZPJMESA-N 468.989 5.009 30 20 JKED C#CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)sc2C1 1818907531 PRJHKUQOTQKKIA-QGZVFWFLSA-N 481.021 5.073 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)[nH]n1 1819303852 QOWUFXUPZATVGP-GHTZIAJQSA-N 489.542 5.217 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821028887 OFBLJCBBOIDUFI-NRFANRHFSA-N 471.001 5.350 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)ccc(Cl)c2O)n[nH]1 1821266314 IZFSFLVUQAICCN-KDOFPFPSSA-N 477.392 5.496 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821364954 UIULVFIMPQXKFZ-HSZRJFAPSA-N 496.583 5.580 30 20 JKED CC(C)CN(CC(C)C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)S)[nH]n1)c1ccccc1 1821758176 UBIRDERXGLPRTG-ZWSUVBHBSA-N 499.725 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CCc4ccccc4C3)n[nH]2)c1 1822126904 FVGYFFPHZPBHQC-FRPAHBMMSA-N 481.600 5.148 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H]3OCCc4ccccc43)[nH]n2)c1 1823211657 OPVBOYNZGZRJGH-BAEUJYSMSA-N 497.599 5.047 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)CC2)C1 1823702210 WLMUJVGOUYNLNR-OAQYLSRUSA-N 474.527 5.067 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1823713773 FDGFISRZTKHSEA-MVSFAKPFSA-N 488.672 5.515 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 1823751461 VEVAWVDKLOWULC-FTJBHMTQSA-N 466.666 5.303 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCn2c(O)nc3ccccc32)CC1 1823753797 INTCFNAIUBOHKW-DEOSSOPVSA-N 494.680 5.134 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 1823886741 NZXOSIKXOXICDH-LJQANCHMSA-N 498.824 5.025 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c(Cl)ccc(OC)c2F)CC1 1824145196 VXWBSKJNIKSJCI-HSZRJFAPSA-N 491.047 5.418 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1826693650 LYKCYTTWHQAUML-XNMGPUDCSA-N 479.571 5.422 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3nccc4occc34)CC2)c1 1827307081 ZPVQFNZWPYIDND-NTKDMRAZSA-N 470.573 5.002 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330626 WGCVIORRPTZKIC-AJTFRIOCSA-N 459.634 5.503 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1827495067 KLRUYXMPANIGTK-NRFANRHFSA-N 471.045 5.394 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1827684510 DRCHFRYPYMSUOM-TVVIERGWSA-N 470.679 5.323 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1828352547 ROHGNOOEXISFQB-FULLSBAXSA-N 476.661 5.255 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3=NO[C@H](c4ccccc4)C3)CC2)c1 1828393336 WNGUICKLJICCBI-FQNJNTOFSA-N 498.627 5.065 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)/C=C/C(=O)c4cccs4)CC3)[nH]c12 1828544194 GFSVGYZIKBWDJX-YSESTWPTSA-N 489.641 5.210 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 1828826803 MGWZHOGSNAAWGE-UNMCSNQZSA-N 467.635 5.405 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1828827651 QMCCEMOFQSCZTL-HYBUGGRVSA-N 483.056 5.147 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1828829663 KWCPESLYQMRVKK-BJKOFHAPSA-N 491.598 5.421 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3ncncc3c2)CC1)c1ccccc1 1829032260 LQLUJRGMHMYRDQ-YTMVLYRLSA-N 494.639 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccc(C)cc2)CC1 1829068344 QSKNDWPTCWMDFD-RUZDIDTESA-N 454.655 5.376 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c3n[nH]cc3c2)CC1 1829068754 PCTNBYFKYXGUIO-HSZRJFAPSA-N 450.627 5.097 30 20 JKED Cc1ccc(OCCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829685689 MYFCVEYRHBEWGU-VWLOTQADSA-N 494.035 5.223 30 20 JKED CCCOc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1830102804 JEWPXCWRIMMXRW-RBISFHTESA-N 487.644 5.650 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCn2c(O)nc3ccccc32)CC1 1830145442 VWSNHXWENKKHJZ-XMMPIXPASA-N 494.680 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1830151769 ARUPHKPRSXVFSC-PXDATVDWSA-N 483.056 5.147 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830452156 SGPNSXVQZLDWJK-UIOOFZCWSA-N 493.598 5.668 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1ccccc1 1831505945 DXUJSVJIDLVRJQ-CPJSRVTESA-N 478.036 5.639 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1831850060 PHKRTODZQNZZON-VWLOTQADSA-N 495.461 5.639 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831851826 ALBVCFZYBAONFT-IGYGKHONSA-N 499.699 5.283 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831925290 BLRDYJPTZNLLLS-HPWVJBTOSA-N 498.667 5.313 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1832029861 TVLLBUHMLOSGTB-RUZDIDTESA-N 486.616 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1835815739 XWRUGQQMJDDMKU-WNCULLNHSA-N 481.725 5.380 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(-c2ccccc2)n2ccccc12 1847475751 FPCGUBRSWLJHQY-SVBPBHIXSA-N 493.994 5.127 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2cc(Cl)ccc2c1=O 9353593 CHXBUASHUMGMRL-UHFFFAOYSA-N 454.766 5.274 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2ccccc2OC)cc1 10118157 WRRJPINQAWGCMG-UHFFFAOYSA-O 460.406 5.903 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1cccc(O)c1)c1cccc(Cl)c1 10174081 CVYDLUSRYSEILE-UHFFFAOYSA-O 467.876 5.283 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 10992023 BEQGATBGHQQETB-UHFFFAOYSA-N 483.597 5.372 30 20 JKED C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 15849396 QTCOVGZPHDAPMP-CQSZACIVSA-N 469.661 5.472 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)s1 22727301 SSGPAXXNUORLKF-UHFFFAOYSA-O 479.597 6.264 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(C(C)(C)C)cc2)cc1 22730387 GCGWVUYMZOZSPB-UHFFFAOYSA-O 468.042 6.375 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CC[C@@H](C)Sc2ccccc21 32787081 DOZGTLBUIAHTRE-GOSISDBHSA-N 450.633 5.065 30 20 JKED COc1ccc(-c2nc(SCC(=O)c3cc(C)n(CCC(C)C)c3C)nc(O)c2C#N)cc1 58521912 WYFLROHLXZFIQQ-UHFFFAOYSA-N 464.591 5.169 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 72011586 PCSZMDNWWLTUTJ-YYADALCUSA-N 496.639 5.090 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCc3ccc(OC(F)(F)F)cc3)s2)cc1 303171019 RIZVCUBVBMWEND-UHFFFAOYSA-N 464.494 5.172 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 409812116 NCLSRQYTZYUONG-XMMPIXPASA-N 492.373 6.027 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)cc1 490631585 RGDNDJFTIVUYPV-UHFFFAOYSA-N 465.431 5.964 30 20 JKED CCCCCC(=O)NC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 498819765 WBGRTWZTMHWRMS-QHCPKHFHSA-N 467.013 5.688 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(OCc3ccccc3)cc1)O[C@@H](C)C2 500656049 SZZIBBUDZWXRMN-PTLMECLESA-N 482.580 5.472 30 20 JKED Cc1nc(SCC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c(C#N)c(C)c1C 502092113 WXIHUSHNAPQMCJ-UHFFFAOYSA-N 455.477 5.026 30 20 JKED COCCOc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 503082366 AHDQVMFSODTNBO-MBSDFSHPSA-N 493.991 5.912 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2cc(Br)ccc2F)C(C)C)cc1 509249366 WYSBSMSCQYODIF-UHFFFAOYSA-N 488.401 5.845 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1 511529192 OUTBKLYBEOUUPX-UHFFFAOYSA-N 472.545 5.028 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)o1 511532900 OIQZPEOZIQYKSL-BCHFMIIMSA-N 483.568 5.178 30 20 JKED C=CCN(C(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)c1nc2c(s1)CCCC2 514336765 NJFZBKBSVTYRNR-UHFFFAOYSA-N 458.587 5.390 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1Cl 514575975 UFKXWKFTMCCYRX-QHCPKHFHSA-N 490.028 5.962 30 20 JKED N#C[C@H](C(=O)c1csc(-c2cc(Br)cs2)n1)c1nc2ccccc2n1C(F)F 516074795 BFRJQXGPOZYIRZ-SNVBAGLBSA-N 479.331 5.869 30 20 JKED C=CCN(C(=O)c1nnn(-c2ccc3ncccc3c2)c1C)c1nc(-c2ccccc2)cs1 518246195 UGZVYMOKQHECMR-UHFFFAOYSA-N 452.543 5.080 30 20 JKED Cc1cc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n(CCC#N)n1 520111493 SBAWFRUOLYAQNL-JXAWBTAJSA-N 472.530 5.193 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 520549818 AECJFKOZJDIJOQ-UHFFFAOYSA-N 475.548 5.975 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 520844389 UJAHGZMCFCZUMG-BVZFJXPGSA-N 469.566 5.529 30 20 JKED CCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H](C)Cc1ccc(OC)cc1 520937215 SMPKPPZYKRLGPN-MRXNPFEDSA-N 467.620 5.196 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 521209088 QIDNVICLOPWIKO-GOSISDBHSA-N 467.491 6.575 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 521747850 BKTZNTWYLRLPJI-HSZRJFAPSA-N 499.684 5.582 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1cccc(C)c1 552969684 VBNUNUIKRZBCEJ-GOSISDBHSA-N 465.648 5.646 30 20 JKED C=CCN(C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 596277391 ODFSNSYVLGIXBL-GAJHUEQPSA-N 495.425 5.225 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2c(C)c(C)sc2n1 603621899 BYEMFYVBSMSMSY-UHFFFAOYSA-N 461.572 5.406 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 603921749 KJVZTWSGBHHQEF-UHFFFAOYSA-N 461.905 5.545 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1 604003506 KGZJDWKLCLZTPM-UHFFFAOYSA-N 487.357 5.532 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 604003912 RFCNCRUBFRAGDP-UHFFFAOYSA-N 478.577 5.889 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](CCCc3ccccc3)c3ccccc3)cn2)cc1 604134947 ZQMHHRKCRUVJGN-MHZLTWQESA-N 490.563 5.564 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 604362504 RTDXQOKDGOXTHO-HUUCEWRRSA-N 471.401 6.382 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1 609079922 NTAHNLLZFKYPON-UHFFFAOYSA-N 482.515 6.094 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 609191574 NZHKMQBGLMFVAV-UHFFFAOYSA-N 455.484 5.355 30 20 JKED Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609384485 HXLKDLPMDCNTNO-HXUWFJFHSA-N 470.598 5.957 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 609401454 QWMAPHLLDYKBOM-IBGZPJMESA-N 463.525 5.553 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 609434053 QXMDLLUPIAVCBS-MRXNPFEDSA-N 477.461 6.031 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 609438266 IWJJDIPWGMYSHU-WZONZLPQSA-N 478.017 5.773 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1[C@H]1COc2ccccc2O1 612653224 XUQQNPJZRBUOET-HTAPYJJXSA-N 492.601 5.079 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(SCc4csc(C)n4)cc3)n2)cc1 613318205 PGFAMPGWBPFCES-NRFANRHFSA-N 461.637 6.666 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)cc(-c3ccco3)nc21 613403111 MDTCAFDAJOSUEN-OAHLLOKOSA-N 461.934 6.025 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 614072972 PMTXGCUJCBDRRM-SANMLTNESA-N 486.666 5.383 30 20 JKED O=C(NCCc1ccccc1C(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618922178 XQDCLFDOUPEIOT-RYUDHWBXSA-N 450.345 5.457 30 20 JKED O=C(C1CCC(C(F)(F)F)CC1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517213 CYOJSHMSIINAQB-TZDAIYRESA-N 477.367 5.993 30 20 JKED C=CCn1c(SCC(=O)Nc2nnc(CC(C)C)s2)nnc1-c1ccc(Cl)cc1Cl 634781065 IUNUSZDLFUNMDW-UHFFFAOYSA-N 483.450 5.219 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCC(C)C)cn1 726110402 GVRYZBRAOLISIW-QFIPXVFZSA-N 463.607 5.063 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)c(Cl)c1 726401603 UEMYKAZCDGPFCY-HRAATJIYSA-N 492.016 5.481 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@H](C)c3cccnc3)C2=O)c1 726422087 SGCAZYZEHQTLLF-VIVKRULVSA-N 494.642 5.303 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)nnc1-c1ccc(Cl)cc1 727710589 ZUTDJMVIQYBCAW-UHFFFAOYSA-N 464.334 5.077 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1ccc(S(C)(=O)=O)cc1 727780307 KMWDTWJFOIXEOZ-XGICHPGQSA-N 462.390 5.181 30 20 JKED C[C@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)C(=O)N(CCC#N)c1ccccc1 727896917 OBKQVXNPLGQNIU-KRWDZBQOSA-N 498.514 5.398 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728193392 PSRJIXGIQCRFRN-UHFFFAOYSA-N 485.540 5.867 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)N[C@H](c3ccccc3)c3cccs3)cc2F)c1 728200393 BIELCNBDRRFWBL-HHHXNRCGSA-N 471.557 5.656 30 20 JKED N#Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(Cc3ccco3)C2=O)cc1 728420980 LYPUHLWKPVKZOA-HXUWFJFHSA-N 498.486 5.331 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccs2)cc1 728423082 OSJRCPCUIQXLAH-NRFANRHFSA-N 460.584 5.089 30 20 JKED N#Cc1cc(F)ccc1COC(=O)c1ccccc1NC(=O)c1ccccc1Br 728622658 WALCYXVGXUTLNW-UHFFFAOYSA-N 453.267 5.069 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)cc1 728775726 AMTHHDMVGCXFNG-JOCHJYFZSA-N 476.602 5.160 30 20 JKED CN(CC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1)C(=O)OC(C)(C)C 729036196 IUVZXNWWBDEUMN-QHCPKHFHSA-N 497.039 6.106 30 20 JKED C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)Nc1ccccc1Sc1ccccc1 729768924 PTVUAOVFDJMPKY-GOSISDBHSA-N 455.539 5.500 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCc3c(C)noc3C)C2=O)cc1 730442032 PCWPNYFBCIFXKW-QHCPKHFHSA-N 476.602 5.111 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C2CCC2)C1=O 730460230 VMRWVXOFMQNHIB-FQEVSTJZSA-N 457.983 5.170 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(Cl)cc2)o1 730717167 GHTFNJYGOLFQJU-WNYOCNMUSA-N 495.992 5.007 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730942121 FKSCPTCFRUYUKS-CYFREDJKSA-N 488.613 5.429 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N([C@@H](C)c3cccnc3)C2=O)c1 730943250 AIXYJWLWVXWBDB-SQJMNOBHSA-N 486.641 6.037 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CCOCC3CC3)C2=O)c1 730943963 OMTWQROBVFZBNF-JOCHJYFZSA-N 486.037 5.344 30 20 JKED COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c(F)c2)c(F)c1 731076264 AHCAWZFSXGHYCA-MRXNPFEDSA-N 496.535 5.830 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc3ccccc3o2)C1=O)Nc1cccc(O)c1 731308163 XSBWSKFONLBZCU-HSZRJFAPSA-N 489.528 5.438 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccncc2)n(Cc2ccco2)c1=S 746056117 UIJQZGYZJGYWPT-UHFFFAOYSA-N 458.591 5.105 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1Cl 746698030 SGGFWQNBHVJDGZ-FQEVSTJZSA-N 477.989 5.256 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2nccs2)c(C)c1 747598376 AVMANBYIBUEEKX-HXUWFJFHSA-N 482.606 5.102 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 750691868 UVGRJWJETRHYME-ZEQRLZLVSA-N 490.401 6.482 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2I)cc1 751083085 HFBKXSZGWVRKFF-LJQANCHMSA-N 456.258 5.338 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCc2ccccc2F)C1=O 837301142 GLMJYTAKPRQSHT-QHCPKHFHSA-N 495.551 5.176 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 837918943 WBWDUUKELBSXMZ-UZUQRXQVSA-N 476.577 5.505 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 838277552 AJUQDUNFPVJFOD-UZUQRXQVSA-N 476.577 5.505 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(-c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)c1 904634213 RSTWYSJQTHRFKZ-UHFFFAOYSA-N 455.474 5.810 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(F)cn3)no2)nnc1-c1ccc(Cl)cc1Cl 904934847 RWGXVUWYKYSZQN-UHFFFAOYSA-N 463.325 5.314 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)n1 912733922 YIKBUZNEUWPRFH-UHFFFAOYSA-N 489.626 5.069 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)c2)cc1 912771750 FPPSLLULSBMZTF-QHCPKHFHSA-N 477.561 5.303 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O)Nc1cccc(Cl)c1Cl 913100009 ZCKUVMMZNKVPJK-CYBMUJFWSA-N 478.279 5.140 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)c1 914692106 UYLIWZMIUUJWBK-JTSKRJEESA-N 465.550 5.319 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1ccc(-c2ccc(Br)cc2)cc1 914838692 KWULFMPXHSGOKA-UHFFFAOYSA-N 452.352 5.381 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2sc3nccc(C)c3c2C)n(Cc2ccccc2)c1C 914916957 CRZJFISYHQKFNU-UHFFFAOYSA-N 472.570 5.047 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 915085508 MWPPJRWXXWDFKB-YYLNTILESA-N 472.508 5.225 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@@H]1c1ccc(OC)cc1 915085933 QPJICQSLVGEGBK-LXQNXJGFSA-N 495.623 6.069 30 20 JKED O=C1/C(=C\c2ccc(C(=O)O)cc2)CN(Cc2ccc(Cl)cc2)C/C1=C\c1ccc(C(=O)O)cc1 915990760 WUSDXGCCXVIMEJ-NQGGHMMCSA-N 487.939 5.288 30 20 JKED COc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 915991967 NVAPHJXKZBKLBP-PKNBQFBNSA-N 480.442 5.499 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1Br 916206187 XSSGEHXJCDIFJK-QGZVFWFLSA-N 496.789 5.364 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 916206916 AVNDMEUENSNBJK-IBGZPJMESA-N 463.525 5.774 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(C[C@@H]2CCCO2)C1=O 916209829 RXFSOBAOBIITDO-YWZLYKJASA-N 492.428 5.441 30 20 JKED COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1CC(=O)O 916546858 LALYEGYPWCUUAF-UITAMQMPSA-N 484.335 5.778 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 916949250 MVONKISYGQWWBB-GYCJOSAFSA-N 462.981 5.546 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 917427797 LTTNMZMLBNERLO-RTBURBONSA-N 462.550 5.378 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)ccc1OCc1cccs1 917570977 QIDLWNPPWFCWRI-UHFFFAOYSA-N 488.541 5.367 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(C)cc2)C1=O 917703561 OSGQMJRISPQKKD-DEOSSOPVSA-N 484.581 5.036 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1Cl 919295273 XJIUNDWSQPXUBG-UHFFFAOYSA-N 451.615 5.333 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3c(ccc(Cl)c3Cl)C2=O)cs1 920066213 LWJSRNJXDABKFX-XYOKQWHBSA-N 463.317 5.932 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)C(=O)Nc1ccc(F)c(Cl)c1 920110069 MXFKNXAWHSQIJZ-CQSZACIVSA-N 490.716 5.177 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2C)no1 920354156 ZMAASKYIRYFFEZ-XMMPIXPASA-N 484.581 5.605 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)COCC(F)(F)F)c1 921252977 LMRNALMRPMSTMR-DNVCBOLYSA-N 497.514 5.062 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)CCO2)C1 1778883478 LCBFTVNDPKQSRM-RBTNQOKQSA-N 489.641 5.108 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3c1oc1ccccc13)C2 1779512227 QFEOFUJWNLQVGT-FYBSXPHGSA-N 488.628 5.706 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)C1 1781676464 FMMJCSARAUSSEG-HLPJKERBSA-N 487.084 5.362 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3Cl)cc2)CCC1)C(F)(F)F 1786708528 PCPWYKHVMJVVIU-UHFFFAOYSA-N 466.887 5.144 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)CCCc3ccc(C(F)(F)F)cc3)CCC2)cc1 1787885497 HKBASXSZBFFFCY-UHFFFAOYSA-N 457.496 5.466 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4Cl)cc3)CCC2)c1 1788480910 FURZHTWLFPWBBA-UHFFFAOYSA-N 499.958 5.110 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2)CCC1 1788785250 DWKQUADKONFKQF-UHFFFAOYSA-N 457.496 5.617 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnc5s4)cc3)CCC2)c1 1788971536 ZKITWQCKWLSCQQ-UHFFFAOYSA-N 482.565 5.238 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3(CNC(=O)OC(C)(C)C)CC3)CCC2)cc1 1789449948 YLZAMVBIEBIGOP-JOCHJYFZSA-N 481.637 5.194 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cs1 1790081813 QQCZHLVKINELAO-UHFFFAOYSA-N 450.951 5.038 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790089980 OGMZIBLCSZSZFQ-LQKURTRISA-N 478.980 5.306 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3csnc3C)CCC2)cc1 1790519850 HORHXGNTPNQXKI-OAQYLSRUSA-N 498.649 5.059 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)cc3C)CCC2)cc1 1790567810 PULYIUPYFCARJX-KRWDZBQOSA-N 486.410 5.306 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cccc(F)c3Cl)cc2)CCC1 1790667952 KLYTXCMGOUSTKB-UHFFFAOYSA-N 477.923 5.177 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4c(Cl)ccnc4c3)cc2)CCC1 1790838955 VYKIUSOKABHQER-QGZVFWFLSA-N 478.980 5.437 30 20 JKED C[C@@H](Cc1ccncc1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1791041138 DLYISTAWOUSGLA-SFHVURJKSA-N 472.976 5.233 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccc(Cl)cn4c3C)CCC2)cc1 1791300150 BPZZONCXKDNTRC-UHFFFAOYSA-N 472.923 5.255 30 20 JKED Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)S)cc2)CCC1 1791571056 YSJJDLZCWKURQT-PGRDOPGGSA-N 497.661 5.013 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](C)Cc3ccco3)cc2)CCC1 1791909980 VFKWGRFGDRUHJJ-XXBNENTESA-N 495.620 5.062 30 20 JKED COC(=O)[C@@H]1CCC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)C1 1792126596 GOPGWLHHYTWPKL-AJSBUHFISA-N 487.600 5.041 30 20 JKED COC(=O)c1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1 1792127486 ZOXLLWFQJZQTSU-HXUWFJFHSA-N 495.579 5.091 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1793051585 RQJXHTGODSTGDP-BKFWDETESA-N 469.629 5.835 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3nc4ccccc4[nH]3)cc1)C2 1793052682 KAZBNGAYKAOQHM-BKFWDETESA-N 468.601 5.250 30 20 JKED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1793616503 RLWXZCPOXKXLRG-VHJOFQCFSA-N 472.601 5.091 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc3cc(Br)ccc3c1)C2 1798340351 UJAZVHYRNBSVQS-CIAFKFPVSA-N 482.422 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(Nc3cccc(OC)c3)CCSCC1)C2 1798593590 URNKDVNCCLNMOW-NUNAXRQHSA-N 499.721 5.004 30 20 JKED Cc1ccc(CSCCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(C#N)c2Cl)C3)cc1 1802130673 BBCCITYFWKYZJC-KOUNCHBCSA-N 482.049 5.095 30 20 JKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](c1ccc(OCc3ccccc3)cc1)C(C)C)C2 1802306405 WQSDBTQGTSUHLP-UUROJUAVSA-N 486.656 5.447 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C)[C@H]1c1cccnc1 1802732860 YFVSKOZXQSNBIH-XUZZJYLKSA-N 451.998 5.131 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](S)C(C)C)[C@@H]2c2cccnc2)cc1 1803608566 XHVSJOLXWJJTBN-STXQHDJLSA-N 481.706 5.017 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c[nH]c4c(Cl)cccc24)C3)c1 1803684185 MFXQVKLAIBLOJH-GEALJGNFSA-N 460.965 5.014 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)C1 1806065603 GJQWGFPLCJITGV-OAQYLSRUSA-N 471.494 5.112 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@H](CNC(=O)CC#N)[C@@H]3c3cccnc3)c(C)c2)cc1 1806289272 GETALFBGLUKIGY-OFSOJUDTSA-N 494.639 5.633 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@H]1c1cccnc1 1806997800 CEQQHMDOTPKGPB-QIAICGLDSA-N 498.671 5.234 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)cc2c1 1809158554 WHANEUQXVJBZLS-RXFWQSSRSA-N 497.986 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1809204752 MVTLCPQEXHVMAT-NZQKXSOJSA-N 479.621 5.747 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@@H]1c1cccnc1 1810173951 JLBKJYJNDWOPIR-PQNGQFLHSA-N 451.998 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1810504271 XKNKMJRJWNAJAV-NTKDMRAZSA-N 479.024 5.528 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1)c1ccccc1 1811673607 BBLXUFXAFAZVLZ-KYJUHHDHSA-N 485.587 5.115 30 20 JKED C#CC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1812534911 RAERRDYEHVAERZ-WNJJXGMVSA-N 459.634 5.084 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1812670918 TZBVVYQZMIADSD-SQJMNOBHSA-N 491.538 5.405 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)c3ccccc3C3CC3)[C@H]2c2cccnc2)c1 1813759885 PVIXWAHVIMERKZ-NMJGOYCLSA-N 478.596 5.219 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 1814361795 JYFRGSRSJVOGGW-SIKLNZKXSA-N 459.550 5.139 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c1 1814735436 PQJFAWWULWDHTO-JOCHJYFZSA-N 479.943 5.013 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(-c4ccc(C(F)(F)F)cc4)[nH]n3)n[nH]2)C1 1816179502 ZZCITOXIIGXXST-NRFANRHFSA-N 498.509 5.091 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c(O)n1 1816241286 BJVYPFZHSGBVAX-FQEVSTJZSA-N 497.958 5.041 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(C)=O)n[nH]1 1817021212 CSVODPHHCJWRJB-PZJWPPBQSA-N 477.650 5.066 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)cc3cc[nH]c23)n[nH]1 1818610419 VJWACILKEUBARH-HXUWFJFHSA-N 496.409 5.153 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCCN2Cc2ccccc2)[nH]n1 1819307394 GIXGLOXXKFQVJB-RNXOBYDBSA-N 489.664 5.225 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(NC(C)=O)ccc2Cl)[nH]n1 1819310841 BYPOPJVBAVKUOO-AVRDEDQJSA-N 484.000 5.096 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)[nH]n1 1819555485 JACJBOWCEOITIZ-QHCPKHFHSA-N 472.593 5.165 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820100614 IZUIKCZRUDKSFJ-UZLBHIALSA-N 461.591 5.395 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occc4c3)[nH]n2)c1Cl 1820219839 ZXOPBYOPYGCJOT-HXUWFJFHSA-N 473.920 5.301 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c(Cl)c1 1820223846 UZSMRVLPZQOSGR-HXUWFJFHSA-N 498.370 5.216 30 20 JKED CCOc1c(F)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc1Cl 1820485956 NRJCOFSDIQYWED-OAQYLSRUSA-N 495.942 5.092 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821204209 WODLUFIFOIYYDA-SJCJKPOMSA-N 453.345 5.374 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2CSc2ccccc2)n[nH]1 1821262679 CXKOKBOSYIFSKW-HTAPYJJXSA-N 480.659 5.326 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4nc(C)sc34)[nH]n2)c1 1821325312 UTKFTQFAMNSXBT-QFIPXVFZSA-N 484.585 5.128 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCSCc2ccc(C)cc2)n[nH]1 1822283103 SWLSVFDYJFESLA-UGKGYDQZSA-N 454.640 5.246 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 1822342204 OZWPCIHVGVJUIN-ICSRJNTNSA-N 494.583 5.107 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1)c1ccc(O)cc1 1822468443 SJJZUMKLPFVEGS-LSTWCFQCSA-N 488.613 5.080 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3C(C)(C)C)[nH]n2)c1 1823212241 MVKSEUMIJJPHFM-MBSDFSHPSA-N 484.604 5.349 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc4C3)[nH]n2)c1 1823217684 WONZPIYLLFUWII-GJQIQAERSA-N 481.600 5.148 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1ccc(F)cc1C(F)(F)F 1823297329 FUTANNKPICTPRO-OAHLLOKOSA-N 492.395 5.216 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1823812484 STRUKNOBGYKWAA-RUZDIDTESA-N 489.019 5.169 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823850179 ZTYVMZIOFKWNPA-DNQXCXABSA-N 489.701 5.020 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1824508012 GYFMBCQHWSNLIG-KDYSTLNUSA-N 478.608 5.317 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1824538564 RJOUTNWJQQUDDT-ODAXIHTASA-N 463.087 5.018 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1824541713 JHTFLZGIWIFVKZ-VQTJNVASSA-N 496.599 5.055 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccco4)no3)CC2)c1 1827420264 HWOWPZMBRWHIEF-NTKDMRAZSA-N 486.572 5.109 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827777961 RCOQMJGQQVTOPE-QUCCMNQESA-N 452.517 5.300 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)CC1 1828159371 FZMORZCKWXBQFF-OAQYLSRUSA-N 473.013 5.070 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc4c3CCCC4)CC2)c1 1828569267 GQFOVESDXCKTNN-XMMPIXPASA-N 461.631 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2n[nH]c3cc(Cl)ccc23)CC1 1828827217 JVEMGBKXTHOQDI-SQJMNOBHSA-N 483.056 5.147 30 20 JKED CC(C)c1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)no1 1828904064 MBMFFHBCUGMPSF-HSZRJFAPSA-N 471.718 5.082 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829575928 BUUPVGDOWHSUEO-NTKDMRAZSA-N 491.657 5.274 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Br)c(Cl)cc3C)CC2)C1 1829648878 UJZLNSCARIDZJW-JOCHJYFZSA-N 493.873 5.610 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)c2[nH]1 1829690328 WPYBKSDUHBXNOT-DEOSSOPVSA-N 489.019 5.549 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)CC2)cc1C#N 1830028654 GVJXUIHCPGYJMK-RUZDIDTESA-N 494.035 5.546 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)CC1 1830590497 JJWDPSOODGMJGN-DEOSSOPVSA-N 473.608 5.122 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1830717209 QOVDDMQRMYPHLE-QHCPKHFHSA-N 489.925 5.176 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c(Cl)c1 1830721139 YTJFMFBSJCPTKK-VWLOTQADSA-N 499.989 5.356 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cc(C#N)ccc4F)CC3)ccc2[nH]1 1831035560 DDQRNRWVUVXYJA-AREMUKBSSA-N 472.564 5.034 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)S)CC1)c1ccc(Cl)cc1 1831306828 KOIIJPWRGIMYEK-BULFRSBZSA-N 451.076 5.018 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1831446188 GJFTUICUPFEKBJ-JOCHJYFZSA-N 490.982 5.175 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C(F)(F)F)[nH]c23)CC1 1832028198 HVLCSGZWSQUNRZ-NRFANRHFSA-N 488.554 5.009 30 20 JKED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1832557287 KBMWJOCTBGUDOY-DEOSSOPVSA-N 484.518 5.364 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccnc4c(O)cccc34)CC2)c1 1832633168 FMBWJMRHZBZMFJ-IBVKSMDESA-N 496.611 5.115 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3nc(Cl)ccc3F)CC2)c1 1832633864 FLRWEIGQPFBMRA-HTAPYJJXSA-N 482.987 5.048 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CCC1 1832786371 UYNGHMNGUQSXSL-AREMUKBSSA-N 494.639 5.533 30 20 JKED C=CCn1c(SCC(=O)OCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl 9847924 IZAKKKAJYURZTG-UHFFFAOYSA-N 479.345 5.182 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(Cc2ccccc2)cc1 10174295 JGPZBMWNTSBYRS-UHFFFAOYSA-O 487.595 6.456 30 20 JKED Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 10829040 MSLJDLDJWIKHEP-UHFFFAOYSA-O 483.632 6.680 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cccc([N+](=O)[O-])c1)=C(/S)Nc1ccc(Cl)cc1Cl 10836260 CRAIVOFWPXFQIL-UHFFFAOYSA-O 475.377 5.802 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)CCC2)=C(/S)Nc1cccc(Cl)c1C 11258755 ABHUINYIFOCWMG-UHFFFAOYSA-O 450.027 6.038 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)nnc1-c1ccc(Cl)cc1Cl 22183482 JSVYKILKBXRELE-JSGCOSHPSA-N 493.382 5.767 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1 22217238 BXXYTTLBFSGDET-UHFFFAOYSA-N 487.585 5.273 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2ccc(F)cc2F)cc1 22727102 RIFHHYSLDLHXFS-UHFFFAOYSA-O 476.366 5.628 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H](C#N)Cc2ccc(C)cc2)cc1Cl 24727089 GFVSOTPWHOKYRH-YRXLECQKSA-N 494.041 6.330 30 20 JKED N#Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 26131678 MUOMCVLADCBWKG-LJQANCHMSA-N 457.477 5.526 30 20 JKED COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2OC[C@@H](C#N)CCC#N)cc1Cl 30533144 RUTDNMIWQHOOKS-MRXNPFEDSA-N 463.921 5.585 30 20 JKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OCCCC#N)c2)c1 71975193 UBJZGUJFEIHMEY-UHFFFAOYSA-N 452.514 5.483 30 20 JKED CCOC(=O)/C(=C/c1cccc(OCc2cccc(C#N)c2)c1)c1nccn1Cc1ccccc1 72031029 ACLJZEKTWWVIDK-OVVQPSECSA-N 463.537 5.486 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)sc2nc(C(F)(F)F)ccc12 195687757 PRQQGRXVBFKZHJ-LLVKDONJSA-N 472.275 5.892 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1c1ccccc1OC 254391004 BIANYXFQNDFQIO-QFIPXVFZSA-N 479.533 5.008 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2nnc(SCc3cccs3)s2)o1 303010941 MQQDHHVRXHUITL-UHFFFAOYSA-N 454.558 5.188 30 20 JKED Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccccc3SC[C@H](C)C#N)c(=O)c12 303310831 QWSWXUUOIHTZNY-MRXNPFEDSA-N 474.611 5.324 30 20 JKED Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 481663025 VFPKSHSLTUJAGS-UHFFFAOYSA-N 486.547 5.011 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 497489442 SPCWRBAONNKNLX-UHFFFAOYSA-N 484.778 5.501 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 502672102 VFJRLZWNIYHJBU-UHFFFAOYSA-N 480.765 5.354 30 20 JKED Cc1nc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)sc1SCC#N 504699505 HJZJDQVLLAPRMZ-UHFFFAOYSA-N 456.618 5.342 30 20 JKED CN([C@@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 507529705 JBNDNPZLYFLHOO-OAHLLOKOSA-N 491.354 5.197 30 20 JKED CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 510208843 HGALSGXHBBOEER-GOSISDBHSA-N 459.571 5.065 30 20 JKED Cc1ccc(I)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 511742996 GTBAOWZEYXEMJP-UHFFFAOYSA-N 454.267 5.516 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccccc2OCc2cccc(Br)c2)n1 516350431 WHSZDGJPKXOZGZ-KRWDZBQOSA-N 485.359 5.151 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 518059556 QAWJZIFWBXRZPA-UHFFFAOYSA-N 463.559 5.039 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1ccc(Br)cc1Br 518668144 WCJXBWFMNMVNLB-QWHCGFSZSA-N 497.256 5.902 30 20 JKED COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)N(C)C[C@H](C)C#N)cc(OC)c1OC 520094419 QAWZWQMQAQPXFH-JZQBQCRLSA-N 485.584 5.369 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 520190914 QUMZCHPVQGBIBJ-XMSQKQJNSA-N 451.592 5.172 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 520194345 PXROSSHJGGYLCQ-SJORKVTESA-N 464.616 5.035 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 520581138 IUSOCAHSEJITCS-IBGZPJMESA-N 499.489 5.581 30 20 JKED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)c1 520700796 QYAFCBDTYUYUNL-UHFFFAOYSA-N 476.476 5.214 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2F)CC1 520705497 HPVBXPBXYCJWCZ-UHFFFAOYSA-N 472.545 5.093 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 521265189 YVCKONZFPBOXIC-MRXNPFEDSA-N 452.461 5.520 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 521511286 YOCLHJUWMGNXAN-UHFFFAOYSA-N 469.976 5.448 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 521811739 SDODETQJMGRZPR-IBGZPJMESA-N 472.058 5.068 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 521841016 QJNFDJAENYRELN-UHFFFAOYSA-N 474.992 6.178 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1oc2ccccc2c1COC(C)C 524140461 AFHKWXCHBJAKJR-UHFFFAOYSA-N 454.526 6.369 30 20 JKED C=CCN(C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 596370283 LGJAKYWYYDWMEG-INIZCTEOSA-N 474.487 5.249 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(OCc4cccnc4)c3)s2)c(C(F)(F)F)c1 603758640 XQRORQMQSXVLMG-UHFFFAOYSA-N 494.498 5.851 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 603927841 JFHZFOMLSKSPJI-UHFFFAOYSA-N 488.609 5.551 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)o1 603952576 ZCCSAJZTYGADLH-UHFFFAOYSA-N 471.492 5.107 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(Br)cc4)C3)cn2)c1 604086865 NOGJEJREHDJBJQ-GOSISDBHSA-N 492.377 5.156 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 604128141 QPKFVGJRINXDOU-JOCHJYFZSA-N 452.327 5.391 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 604249058 QWSGZGSUQFECBC-UHFFFAOYSA-N 461.924 5.320 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c1 608811834 QDFNDVFHIRVBCC-UHFFFAOYSA-N 476.330 5.173 30 20 JKED N#Cc1cc(NC(=O)C(=O)NCc2ccccc2-c2ccc(Cl)cc2)ccc1OCC(F)(F)F 608865615 HLLUXVOLNDDOKR-UHFFFAOYSA-N 487.865 5.075 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)cc1 609104981 HDJOAZRYTTZKFF-UHFFFAOYSA-N 489.528 5.496 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2F)c1 609106491 MRLBSJXXGHFRTF-UHFFFAOYSA-N 489.510 5.776 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 609399352 POXMMQZIKXVZAF-KRWDZBQOSA-N 475.456 5.297 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 609403305 LNLFWBNPXFHBDK-HZPDHXFCSA-N 464.616 5.186 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N 609428370 DIJDINLZFDINTG-ZDUSSCGKSA-N 461.534 6.784 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609431123 VEMFEFGSCJUPJO-GFCCVEGCSA-N 461.431 6.169 30 20 JKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccccc2)cc1OC 609435484 QNSFRWJHSYYWCX-XXBNENTESA-N 475.614 6.204 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(Cc3ccco3)Cc3cccs3)cc2)c1 609437838 MVQYZQRAFBKPBK-UHFFFAOYSA-N 457.511 5.173 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)n2)cc1 612941777 XCVALLWQMLKVCM-HSZRJFAPSA-N 493.654 5.562 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3)o2)cc1 613320375 XEZSBIPDAIKZNW-QFIPXVFZSA-N 496.979 6.979 30 20 JKED CSc1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)n1-c1ccc(F)cc1 613405284 WTUUEMDPAXBPLO-CQSZACIVSA-N 476.480 5.852 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(COc2ccc(F)cc2)o1 642156608 DPBZSUKHGWEWOI-IMRBUKKESA-N 453.354 5.637 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 642281538 IEYQLONPXIWALO-CQSZACIVSA-N 463.342 5.633 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N/CCc2ccccn2)s1 726112817 GTXLGGKIRGMVJG-BVIVVYHISA-N 496.633 5.223 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N([C@@H]2CCCC[C@@H]2c2ccccc2)C1=O 726408514 FRGZXACBHIZRPF-FCEUIQTBSA-N 481.021 5.006 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)NCc3ccccc3)S/C2=N\[C@H](C)c2cccs2)c1 726415253 GMMBNXCAWBPZJG-VFYDMCDDSA-N 493.654 5.024 30 20 JKED COc1cc(C(=O)/C=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)ccc1S(=O)(=O)C(F)F 726740758 PJDUCMDPKXDSLM-RQOWECAXSA-N 475.296 5.213 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=S)Nc2ccc(OC(C)C)cc2)cs1 727258142 VQOLTOCCKYZGAB-UHFFFAOYSA-N 471.583 5.075 30 20 JKED CC(C)CC(=O)N[C@H](C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)c1ccccc1 727627853 IOBGUTZLBZTHAG-JXFKEZNVSA-N 459.493 5.395 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727628659 VUJYNMHZSFNKLA-OAQYLSRUSA-N 496.592 5.653 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/Oc3c(cccc3C(C)(C)C)C2=O)cs1 727974156 HFHQRTVGOQSTMG-UDWIEESQSA-N 452.963 6.395 30 20 JKED C=CCNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1ccc(C(C)(C)C)cc1 730436225 LFKPJSHYFAGJQI-UHFFFAOYSA-O 459.635 5.837 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc4cc(Cl)ccc4s3)n2)cc1 730692214 VVLRPEXLNGCJAO-MRXNPFEDSA-N 453.976 5.891 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cc3ccccc3[nH]2)cc1 730712511 MPOISKLPTHFSHX-QHCPKHFHSA-N 498.612 5.242 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cc3ccccc3o2)C1=O)Nc1cnccn1 730717491 NNNIXSBDRDXOEG-HXUWFJFHSA-N 491.960 5.037 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 731060086 QMCRAPJBOSPBTI-HNNXBMFYSA-N 493.635 6.215 30 20 JKED COc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)cc2)ccc1C 731305124 HITPFRNAUYNAIN-XMMPIXPASA-N 489.597 5.178 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731310648 MMGCBRNMPFGUNC-DJJJIMSYSA-N 496.416 5.084 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)cc1C 731310702 NTXURILOPBMMBY-XMMPIXPASA-N 495.645 5.319 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)cc1C 746696252 LKQGKZIGQGJPFO-NRFANRHFSA-N 471.598 5.218 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(CCc3nccs3)C2=O)cc1 747603816 VGLDQWIVSITHAR-HXUWFJFHSA-N 482.606 5.102 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2cnccc2OC)ccc1Cl 748204313 DLNMZMZFFSZSQX-UHFFFAOYSA-N 492.384 5.031 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CC(F)(F)F)C2=O)cc1 799218922 IKNURYIORCENLD-QGZVFWFLSA-N 485.915 5.261 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)cc1 799222241 YSTZTNCAVMMZRV-IBGZPJMESA-N 463.525 5.388 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(OC)c3)N(Cc3cccs3)C2=O)cc1 837361785 GACAADOWWSFVQZ-QFIPXVFZSA-N 495.626 5.316 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@@H](C)c2ccccn2)c1 837669003 ZIIIGXGNUBUSDK-OFVILXPXSA-N 486.641 6.037 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1cn(Cc2ccccc2)c2ccccc12 839414339 KILOFMOQOGTRTN-UHFFFAOYSA-N 483.597 5.430 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1ccc(-n2cncn2)c(F)c1)C(=O)c1ccccc1 844253661 DLIWRKCAAHUDDQ-HAHDFKILSA-N 468.532 5.436 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3sccc3C)C2=O)c(OC)c1 914545338 AJRFDCDEKWNAQI-NRFANRHFSA-N 495.626 5.234 30 20 JKED N#C[C@H](C(=O)CCNC(=O)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 915101047 BHJLWFOFZBVWTN-QGZVFWFLSA-N 488.794 5.222 30 20 JKED CC(=O)N[C@H](CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccs1 915103518 WKQYZGMBIODRMV-GTZGYLERSA-N 453.633 5.116 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915200056 UFVZUAJQVFQLTH-NDEPHWFRSA-N 487.559 6.931 30 20 JKED COc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1Br 915349978 DKYNYTKEHOBWSD-HRAATJIYSA-N 464.363 5.996 30 20 JKED Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915352444 KZNFJPUTBXXOCF-NRFANRHFSA-N 477.362 5.173 30 20 JKED C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 915763377 BJCAPHDJLDDFCF-CTWZREHQSA-N 494.639 5.075 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1OC 915991584 APKYQFMOXPUOFF-POHAHGRESA-N 476.916 5.142 30 20 JKED COc1cccc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c1OC(F)F 916127729 GJSQLIFTBCUTGI-QINSGFPZSA-N 453.441 5.210 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 916213507 FKCUDJUOECYQOF-IBGZPJMESA-N 498.407 5.519 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccccc1F 916946085 JRKDOVUTKBHTSD-LJQANCHMSA-N 484.314 5.654 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 916977815 ZQOKVTJYEWQLHF-QGZVFWFLSA-N 468.365 6.581 30 20 JKED N#C[C@H](C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2cc(Cl)ccc2s1 917042480 BUJCGZNPDXRCDV-UXHICEINSA-N 459.958 5.687 30 20 JKED COc1ccc(-c2nc(SCC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)nc(O)c2C#N)cc1 917201767 PAZAJWNSVGZNQV-NRFANRHFSA-N 494.592 5.254 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CN2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(C(C)C)c2)c1 917710788 XLGMGHKNCYFOIX-FDDCHVKYSA-N 494.661 5.062 30 20 JKED CC(C)OCc1c(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)oc2ccccc12 917808166 JPUZRHSAQOGFPM-COOPMVRXSA-N 497.617 5.203 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CCCCN1C(=O)c1ccco1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 918492429 RXWUXEXLNNAKHX-IQKSBBQZSA-N 463.603 5.075 30 20 JKED CCc1ccc(C(=O)Nc2sccc2C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1 919399586 BMOFOWNSNDPORM-UHFFFAOYSA-N 485.565 5.471 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 919893598 JQKKLKMTZIZCOX-UHFFFAOYSA-N 457.530 5.936 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920110130 LPCBIBJVTOJWNJ-APWZRJJASA-N 490.437 5.588 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCOc3cccc(Br)c3)n2)cc1 920143491 QITLXDSPXYBNCX-IBGZPJMESA-N 471.376 5.617 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 920198068 DJLNBIDAMKJHFS-MHECFPHRSA-N 480.593 5.590 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2c(C)noc2C)c(C)c1 920353240 DZRCCHXBNSENBR-QFIPXVFZSA-N 480.565 5.208 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)c2cccc(OCc3ccccc3C#N)c2)cs1 920635617 JDTCFAVFSRKTQY-UHFFFAOYSA-N 497.576 5.944 30 20 JKED N#CCCn1cc(C(=O)OCc2ccc(SC(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920839245 HBMKOQPGJVCJLQ-UHFFFAOYSA-N 458.446 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3-c3ccc4ccccc4c3)CCO2)C1 1778882116 FGXRDNPRKGELGZ-HVNZXBJASA-N 495.623 5.114 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cccnc3S)cc2)CCC1)c1ccc(O)cc1 1785846496 WXKFFZIXAWFUKD-HXUWFJFHSA-N 485.609 5.021 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccoc4)cc3)CCC2)c(C(F)(F)F)n1 1786746821 VSGHZNGQNYDMAU-XNWCZRBMSA-N 480.446 5.026 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(Cl)cncc5s4)CCC3)cc2)CC1 1787878404 MCSSLNAEOSOUKI-UHFFFAOYSA-N 450.951 5.001 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)ccc1CNC(=O)OC(C)(C)C 1787888513 UJQDBKXPQKWSII-UHFFFAOYSA-N 490.604 5.071 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cn(-c5ccccc5)c5ncccc45)cc3)CCC2)CC1 1788396422 PZECDZOSEVDYFC-UHFFFAOYSA-N 475.552 5.077 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789198891 HJGQNDYJLSGKHM-FQEVSTJZSA-N 469.626 5.124 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3cc4cnccc4[nH]3)cc2)CCC1)c1ccc(O)cc1 1789358783 SVYYUGAKUAGHLC-OAQYLSRUSA-N 492.579 5.213 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cccc(Cl)c34)cc2)CCC1 1789393091 LURUXSQMJMTPTA-UHFFFAOYSA-N 453.995 5.488 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1789494565 WMBMQSVFPBFCDR-HSZRJFAPSA-N 497.595 5.749 30 20 JKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)CC#N)CCC2)cc1)c1cccc(NC(=O)OC(C)(C)C)c1 1789498370 UMRBHQJCCZPALB-GOSISDBHSA-N 476.577 5.185 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnccc3Cl)CCC2)cc1 1789508244 ZHWGKRSKBIMNBM-UHFFFAOYSA-N 468.073 5.534 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCCCO)cc3)cc2)CCC1 1790058835 YJPMXVQQHKUPEO-UHFFFAOYSA-N 464.606 5.188 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4)CCC3)cc2)c1 1790072913 CKHHFTKPNYRGGD-UHFFFAOYSA-N 465.509 5.375 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4[C@H]5c6ccccc6S[C@H]54)CCC3)cc2)c1 1790257270 QIPXRYHZTWPAHH-DSNGMDLFSA-N 465.578 5.194 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ncsc45)CCC3)cc2)cc1 1790289990 IRJWROZJSIHIEP-UHFFFAOYSA-N 452.539 5.229 30 20 JKED CCCOc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)cc1 1790338061 NEGYHEZANVCLCS-UHFFFAOYSA-N 483.568 5.174 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5cc[nH]n5)cc4)cc3)CCC2)cc1 1790740412 ZBJSWUCFUOKFHD-UHFFFAOYSA-N 475.552 5.204 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ncccc45)CCC3)cc2)c1 1790763941 OUTANCRWQWEQIO-UHFFFAOYSA-N 464.500 5.307 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)cc3F)cc2)CCC1 1790797823 LAEWKYDDXDVGFQ-GOSISDBHSA-N 469.557 5.162 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3c[nH]c4ncc(Br)cc34)CCC2)cc1 1791244136 NLOLLTZUIKDENI-MRXNPFEDSA-N 495.421 5.214 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]4CC[C@H]3N4C(=O)OC(C)(C)C)CCC2)cc1 1791251868 WQBDVFSIXXEQFW-FDTGPBLFSA-N 481.637 5.121 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)n4ccccc34)CCC2)cc1 1791578082 VWQOSYOJYPDZIY-IBGZPJMESA-N 469.610 5.672 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc(OC)ccc3NC(=O)OC(C)(C)C)CCC2)cc1 1791593039 CIHCQPSCTXVCJY-UHFFFAOYSA-N 479.577 5.366 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2 1793051645 WPYWOIMPJOHXDT-KOUNCHBCSA-N 457.574 5.448 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCCCNC(=O)OC(C)(C)C)C2 1801693857 DEIXZSRVDYYDFN-WKCHPHFGSA-N 499.643 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cc3cccnc3cc2F)[C@H]1c1cccnc1 1802500776 OQDWWJXSTZSGSS-AMGIVPHBSA-N 488.607 5.010 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2ccc(Cl)cc2)[C@H]1c1cccnc1 1802829116 DSDNMBADWZFCQI-DNVKUUNQSA-N 466.025 5.313 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)Cc2ccccc2)[C@@H]1c1cccnc1 1803021650 IVRTVLLEOORQRU-NXCFDTQHSA-N 459.634 5.125 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1803087514 CMRFHEPGQVFSGK-HZFUHODCSA-N 469.629 5.053 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1803091893 SHXCWRVXCNJTCY-JPYJTQIMSA-N 490.406 5.616 30 20 JKED CC(C)[C@H](C(=O)NC[C@H]1CCN(C(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1803217660 JACVAIOBQPAFQO-CCNCKIRNSA-N 494.639 5.032 30 20 JKED CCCCCc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(C)C)c(C#N)c2)s1 1803841604 JHSPCABVSICCCH-KOUNCHBCSA-N 494.661 5.100 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803997649 ALVDQUDEVSHOGN-QPDPMPIHSA-N 483.534 5.013 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4c[nH]c5cc(Cl)ccc45)CC3)C2)cc1 1804759203 VBFKFYZMASCROI-UHFFFAOYSA-N 489.019 5.171 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1805696612 DZQKTIQHQIWAQP-ZVDOUQERSA-N 475.511 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1808460918 INPOWIHJLWVOKJ-GSLIJJQTSA-N 484.600 5.133 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1810171390 CNGHEOGLNDTPJN-TZBSWOFLSA-N 485.550 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@H]1c1cccnc1 1810183809 YCKMYXPDBRSVMB-HXAGEGRHSA-N 489.019 5.371 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(F)ccc2Cl)[C@H]1c1cccnc1 1811117903 GSENPMZAUAIYRN-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc4c(ccc5ncccc54)s3)[C@@H]2c2cccnc2)C1 1811279705 GHBOBDIBYIQAMM-SIBVEZHUSA-N 482.609 5.130 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1812587736 OUHVIWOJQFINHP-AQOAWAETSA-N 468.022 5.482 30 20 JKED Cc1scc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)c1C 1813865561 TTXPQKAQFCCOJD-WQWSHVPRSA-N 472.614 5.020 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)cc2F)[C@H]1c1cccnc1 1813972021 AWVFRPLSDYJXGD-CMPZQBNXSA-N 464.368 5.059 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)Sc2ccccc2)n[nH]1 1815090175 KOZBFMKLLJLZPH-PGRDOPGGSA-N 452.624 5.351 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1815209500 IQHREOSGBHVXIX-GOSISDBHSA-N 483.371 5.144 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1819257979 OMGRDXFGAZYCBK-OXJNMPFZSA-N 479.631 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)c(F)c2)[nH]n1 1819300420 BDOAGZHFMNSVAM-DYESRHJHSA-N 458.965 5.205 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2ccccc2)n[nH]1 1820004648 DSFDVXSZLZTHNS-PXDATVDWSA-N 469.589 5.546 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cccc1C(F)(F)F 1820486927 GTAUCWRGTUFZIW-NRFANRHFSA-N 481.478 5.228 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)[nH]n2)c(Cl)c1 1821278167 GRXSUADEQFMCTC-DFWCCGOPSA-N 498.974 5.435 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4ccoc4c3)n[nH]2)c1Cl 1821457628 SWHNAILXWGMPDE-FQEVSTJZSA-N 473.920 5.301 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)[nH]n1)c1ccc(Cl)cc1 1821857473 XGNXPTSKQYYUOP-FYYLOGMGSA-N 478.984 5.009 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1821987351 QLEQXOULGWMOAK-GOSISDBHSA-N 483.544 5.394 30 20 JKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)CC1 1822227563 QFIVFTSKUYSSHK-FIXDAVPBSA-N 461.610 5.559 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)[nH]n1 1822403408 HBSNDICSMUSYRI-SQHAQQRYSA-N 479.669 5.333 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823213047 POAOYJGLKYCZBA-GAJHUEQPSA-N 475.980 5.618 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)ccc(Cl)c2F)n[nH]1 1823275171 BRYKFLOFQOYKDP-KBXCAEBGSA-N 462.928 5.416 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC(F)(F)C2)CC1 1823692498 GBGDQFYQKMJBIB-YADHBBJMSA-N 466.689 5.093 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1823754183 ZRBLQNRZIBVWBP-LJQANCHMSA-N 453.549 5.259 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1Cl 1823909986 HURAHNFZGZGWCR-RUZDIDTESA-N 481.999 5.135 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824448725 ACMGPVOLTVBMLW-DEOSSOPVSA-N 476.583 5.451 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)CC2)CC1 1826682349 OGGDRSRDCWPDNI-KRWDZBQOSA-N 485.909 5.035 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(Br)nc2C)CC1 1827971313 YSNNWDCAOLSWLK-GOSISDBHSA-N 496.515 5.440 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 1828823857 HGUAHVMCRQOQQA-WUFINQPMSA-N 494.676 5.436 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828828029 BRVSFUPWFBQVRW-DPLHUUCSSA-N 454.577 5.292 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(OC)c2)CC1 1828829579 JNOCUHHUONZBAH-BJKOFHAPSA-N 459.030 5.350 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sccc2Cl)CC1 1828906250 BPLZVPOVELNONI-OAQYLSRUSA-N 479.162 5.686 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)n(C)c2C)CC1)c1ccccc1 1829033692 ZIEBHVROHWGZFD-XCZPVHLTSA-N 473.661 5.072 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829582197 MEEWJXJXJGYVOI-UGKGYDQZSA-N 494.661 5.188 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)cc1 1829671420 IYAQMOZQZZJCDT-HHHXNRCGSA-N 486.591 5.045 30 20 JKED C[C@@]1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)CC=CCC1 1829692595 KGCPKSZEJZOLDD-BKMJKUGQSA-N 454.014 5.191 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)c1 1829779505 CBHUJKHPSOZWFT-VWLOTQADSA-N 480.568 5.333 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](S)C(C)C)CC2)cc1Cl 1830471201 GEUARINFFXXCAE-JTHBVZDNSA-N 481.102 5.315 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1)C(F)(F)F 1830536651 NSHKRDMQHZUCKE-KRWDZBQOSA-N 480.424 5.196 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)CC3)c[nH]2)cc1 1830718220 XAGREAQMKIHZCZ-MUUNZHRXSA-N 498.602 5.548 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830718283 GNZBHEUPKZKLIL-RUZDIDTESA-N 493.648 5.340 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCc3ccccc3O2)CC1 1831810450 JVPRZPHTMFELSV-BDYUSTAISA-N 494.752 5.051 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)ccc(Cl)c3F)CC2)cc1 1832686660 FJSBXOAWLAZUCH-QFIPXVFZSA-N 485.962 5.231 30 20 JKED CC(C)=CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832704529 NJHFPWJEKPYWCY-RUZDIDTESA-N 465.638 5.325 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCc3ccccc3Cl)CC2)CC1 1837750388 BAGFOXGCNYRVFK-UHFFFAOYSA-N 475.073 5.264 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)CC1 1838424591 NETUWJVHEHPLOG-UHFFFAOYSA-N 494.598 5.239 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1844202774 ZTNDMPPRJFETSP-OFNKIYASSA-N 481.637 5.109 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC34CN(C(=O)c3cccc(C#N)c3Cl)C4)ccc21 1844742849 FEYFZSDWCDOPSP-UHFFFAOYSA-N 496.998 5.470 30 20 JKED C#CCCCC(=O)N1CCCC12CN(C(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1846374057 PIOKOXJBHHPMGH-UHFFFAOYSA-N 475.608 5.045 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 9073412 YJIHANIZGVFDAD-UHFFFAOYSA-N 461.930 5.171 30 20 JKED COc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(C)c(C)c3)n2CC(C)C)cc1 9941097 FONDREWAPWHVEH-UHFFFAOYSA-N 477.634 5.266 30 20 JKED C=CCOc1c(Br)cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1OC 11330534 MLUGTZYZKCOMFC-NTEUORMPSA-N 473.754 5.330 30 20 JKED N#CCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)cc1 15029359 ZIXVAAPNYJBWRE-UHFFFAOYSA-N 460.342 5.113 30 20 JKED Cc1nc(COc2ccccc2C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 19485347 FFYPBZCLPAWKGG-UHFFFAOYSA-N 481.599 5.028 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12 20081030 ZJNHNFXHHZPBNO-UHFFFAOYSA-N 493.658 5.099 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1 21456024 FIUOIMYMWNBOHK-GFCCVEGCSA-N 478.361 5.465 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2cc(-c3ccccc3)sc2c1=O 21494300 UFBNJJWAEIDWBX-UHFFFAOYSA-N 475.595 5.244 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(OCC)cc2)[n+]2ccc3c(c2)CCCC3)cc1 22731388 QWCAMUCRZPNAQJ-UHFFFAOYSA-O 475.634 5.701 30 20 JKED N#CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 23922786 GSZIPNZSSSIWPH-UHFFFAOYSA-N 494.787 5.766 30 20 JKED COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)Cc2ccc(C#N)cc2)c1OC 25119993 QFXMGIRSJIQONX-OQKWZONESA-N 489.575 5.883 30 20 JKED C=CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 29833913 HFFWYQNGNUDSIT-UHFFFAOYSA-N 476.562 5.679 30 20 JKED C=CCn1c(C)nnc1SCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 36806227 AWOHSCKWNOTHOP-UHFFFAOYSA-N 479.606 5.361 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 105815180 BDMSFSFBTNLJJB-UHFFFAOYSA-N 493.498 5.123 30 20 JKED CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 107877109 BUUZGYLWFNFJPJ-HXOBKFHXSA-N 482.005 5.325 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1)c1nc(-c2ccccc2)cs1 302979585 SXFMHPSHBVNTAK-INIZCTEOSA-N 484.509 5.430 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(F)cc1 481619185 BGHLEBPLWKZXTG-XMMPIXPASA-N 473.483 5.060 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)N(CCC)Cc2ccc(C#N)cc2)cc1 499088718 PODLOFKUVGQGTE-UHFFFAOYSA-N 478.596 5.535 30 20 JKED N#C[C@@H](C(=O)c1cc(Br)c2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 501290303 QMIBCUNISTVHME-AWEZNQCLSA-N 475.751 5.487 30 20 JKED N#CCCn1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c2ccccc21 501486594 IURRNBGFUDPARQ-UHFFFAOYSA-N 466.570 5.605 30 20 JKED N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 504162320 FCAJHMGLVBHQPN-UHFFFAOYSA-N 487.760 5.517 30 20 JKED C[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1Oc1ccccc1 506182221 DPPUUNDBIKVEBQ-IBGZPJMESA-N 481.512 5.655 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 509581210 ZPBALLFEAJSUNU-UHFFFAOYSA-N 453.498 5.525 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1Cl 510009485 JLERDQJBAMMSGO-GOSISDBHSA-N 484.869 5.379 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 510272657 YIMMCJCLWZYIKP-UHFFFAOYSA-N 457.914 5.624 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)CC1 512208226 AGNXPCPYPUPMNM-UHFFFAOYSA-N 487.463 5.290 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 512322395 KNANEHQSLNILDG-VWLOTQADSA-N 477.967 5.334 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1-c1ccc(OC)cc1 513261167 LOQWNNQXIAGFMN-UHFFFAOYSA-N 468.579 5.607 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)nc2ccccc21 513653219 DWLDBPOGSRHNTP-SFHVURJKSA-N 462.918 5.776 30 20 JKED C=CCc1ccc(OCC(=O)N(Cc2ccccn2)c2ccc(Br)cc2)c(OC)c1 515693722 CEXCJMIPNFEBGP-UHFFFAOYSA-N 467.363 5.193 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 516060849 NBTSJDNKGMSZET-UHFFFAOYSA-N 492.579 5.272 30 20 JKED C=CCN(C(=O)c1cnc2onc(CC)c2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 516449407 LNFXVADANOMRRL-UHFFFAOYSA-N 459.358 6.048 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 518263114 SWIWIIYTLBSBIV-APWZRJJASA-N 450.589 5.525 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 518573835 WLJXEWGGWHDANF-QGZVFWFLSA-N 470.554 5.427 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccco1 518601778 XUYWQZDBGCHDTQ-UHFFFAOYSA-N 465.509 5.420 30 20 JKED O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 519398892 YGTJKFKKTHLVEA-UHFFFAOYSA-N 484.734 6.148 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CCc2c(Cl)cccc21 519441920 UVSAOGAQXRGACL-MRXNPFEDSA-N 467.900 5.107 30 20 JKED CC(C)COC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccco1 523984061 GLBBFFGAJZSZPA-OAQYLSRUSA-N 481.936 5.066 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccccc2Cl)n1)c1nc(O)c2c3c(sc2n1)CCCC3 524078258 SOYMNROKOJIYPZ-ZDUSSCGKSA-N 466.975 5.543 30 20 JKED CN(C(=O)c1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1Cl)C1CCCCC1 524663189 GELNAYSGFNDDBB-UHFFFAOYSA-N 495.023 5.692 30 20 JKED C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 559553019 JPWVDUZTGAFWKE-OAQYLSRUSA-N 479.555 6.379 30 20 JKED C=CCN(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 598951447 AHAPQVPKNHCYCH-UHFFFAOYSA-N 472.617 5.679 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 603742878 JGHVLUUHCOXKGT-UHFFFAOYSA-N 482.462 5.118 30 20 JKED CSCC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nnc2ccccn12 604088178 IXOKBQTVVULRSH-FQEVSTJZSA-N 492.992 5.663 30 20 JKED Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)nc1 604104961 YHCOZTBTQVBJLH-UHFFFAOYSA-N 470.598 5.045 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C(C)C)cc1 604138774 IMTMJJFQBAPGEW-AREMUKBSSA-N 470.573 5.396 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccccc1 604548120 YBKDUUQQCIXWRW-HZPDHXFCSA-N 465.648 5.705 30 20 JKED COc1cc(C(=O)N(C)c2ccc(C#N)cc2F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 608798785 IQZJQZNVMCPAPX-UHFFFAOYSA-N 455.829 5.336 30 20 JKED N#CCCCOc1cccnc1NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 608883655 WFGWTNTUGQKOMY-HSZRJFAPSA-N 451.979 5.879 30 20 JKED CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 608951669 RZOGBWCTBKYUJF-UHFFFAOYSA-N 490.611 5.328 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 609056425 NJIPKMSBACWWDM-UHFFFAOYSA-N 457.299 5.294 30 20 JKED CN(CCCCc1ccccc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609088039 PRHGBRUPZQTSRT-UHFFFAOYSA-N 475.976 5.210 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)cc2Cl)cc1 609207362 SSSWEAUEONVFMQ-UHFFFAOYSA-N 496.011 5.632 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 609398346 MLCDSZHZFFZUNE-CQSZACIVSA-N 469.408 5.772 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(NC(=O)CC4CCCC4)CC3)cc2Cl)cc1 609433750 FFKQDWLVJBOTGM-UHFFFAOYSA-N 480.996 5.697 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 609435567 XYJILQXRSQNERZ-FQEVSTJZSA-N 482.613 5.709 30 20 JKED N#C[C@H](C(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 613319999 PQSWJHGGESIJCB-LJQANCHMSA-N 486.018 5.128 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 614073756 XXEZDQQYFJRPAJ-UHFFFAOYSA-N 461.418 5.112 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 615674585 ITGYOMXKKUMUEQ-HXUWFJFHSA-N 475.564 5.474 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F 619365687 HYASBJIGUZVNII-ZIAGYGMSSA-N 494.407 6.530 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726117336 XIYSSMLWGNOMRZ-IIBYNOLFSA-N 497.646 5.003 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc2cc(Cl)ccc2s1 726322557 LXSRLVMNUMPPPU-OAHLLOKOSA-N 477.920 6.511 30 20 JKED N#Cc1cnc2ccccc2c1OCCOC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 726363629 ZPUBPIHFMVFFAN-RUZDIDTESA-N 499.954 5.243 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(C)C)cc1 726416382 VDUSFOMFUIJKCD-OAQYLSRUSA-N 490.025 5.042 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3cscn3)C2=O)c1 726421719 OZNFZIUSLIUBKV-QSTYEGGVSA-N 484.672 5.411 30 20 JKED COc1ccc(C(=O)/C=C\c2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)cc1NC(C)=O 726427956 BTQHALCLXFCQSP-YFHOEESVSA-N 499.485 6.156 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2C2CCCC2)cc1Cl 726893403 ZWBVAIBTHPVSSZ-OAQYLSRUSA-N 488.009 5.260 30 20 JKED Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2ccccc2C(F)(F)F)n(Cc2ccco2)c1C 728061425 SMUJYYBXJGCMKM-JOCHJYFZSA-N 470.495 5.412 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)C[C@@H](c2ccccc2)C(F)(F)F)n(Cc2ccccc2)c1C 728652905 HFTKJKZPEPXKMP-QFIPXVFZSA-N 483.490 5.243 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c(=O)oc2c1 729375277 CBCUQBPHYVCGJA-UHFFFAOYSA-N 454.482 5.345 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCc3c(C)noc3C)C2=O)c1 730444190 JSGQMXLFNUSJBY-HSZRJFAPSA-N 476.602 5.111 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(C)C)cc1 730713122 QKWMMVPGRQTSSU-IBGZPJMESA-N 479.631 5.130 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cocn3)C2=O)cc1 730713159 QODONDKANWBJOP-HSZRJFAPSA-N 490.585 5.161 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)c4ccc(C#N)cn4)c3C#N)C(C)(C)C2)o1 730895069 DSVJHECWWHLQNT-YVMONPNESA-N 498.564 5.361 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)n(Cc2ccco2)c1C 731279542 ZHWJKAIEEFSDFU-ZEQRLZLVSA-N 467.525 5.057 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731305498 DOGHNGVRGQRBJI-ZEQRLZLVSA-N 471.582 5.348 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731308054 LPKRTJAEXVOSBK-UKILVPOCSA-N 471.582 5.504 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2OC(F)F)C1=O)Nc1cccc(O)c1 731308059 LPXVAKRDJBWTBK-OAQYLSRUSA-N 497.523 5.154 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c(C)c1 731308682 PLYKGAGLEAWCRF-NRFANRHFSA-N 465.600 5.231 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCc2ccc(F)cc2)C1=O)Nc1cccc(O)c1 731313517 YPPRSMDAZFQNDE-JOCHJYFZSA-N 499.514 5.013 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)c2cc(C)sc2C)c1 743514231 MMFCIACAMJYWPN-VBKZILBWSA-N 459.612 5.174 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2cc(C)ccc2F)cc1 744117027 SLHMDUMAKDYGEF-UHFFFAOYSA-O 464.586 5.468 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1c(C)cccc1C 746695922 JENSLBLXSLWYBY-OAQYLSRUSA-N 489.588 5.359 30 20 JKED CC(C)(C)N1C/C(=C/c2csc(-c3ccccn3)n2)C(=O)/C(=C\c2csc(-c3ccccn3)n2)C1 747067409 XCCYVABDAIKRII-BKHHGCLFSA-N 499.665 5.874 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O 747601523 VPHPLLRMZUXIOO-IBGZPJMESA-N 471.007 5.265 30 20 JKED Cc1nn(-c2ccccc2)c(COC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C#N 748468180 BHNLHKRPKOJKDS-VWLOTQADSA-N 498.970 5.310 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc3c(c2)CCO3)C1=O)Nc1ccc(F)cc1F 750914968 AOVAKMUHQRUTMB-QHCPKHFHSA-N 493.535 5.060 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2OC)cc1 838484514 HCLODEHAXVWPIM-HSZRJFAPSA-N 493.560 5.003 30 20 JKED O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H](F)c1ccc(C(F)(F)F)cc1 857467480 FFPRSNACJPILFH-DZGCQCFKSA-N 469.788 5.178 30 20 JKED C[C@@H](OC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 857749915 HQMCYWAUJBEASP-QGZVFWFLSA-N 472.566 5.309 30 20 JKED O=c1c2ccccc2ncn1N=Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1 912801419 OTPHBQCBBMSTNF-UHFFFAOYSA-N 461.521 5.437 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(NC(C)=O)c1 913120550 KNZUZBBHLRNDCB-JOCHJYFZSA-N 466.607 5.022 30 20 JKED COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1C 914543305 IFZMZFZYYJRSGT-JOCHJYFZSA-N 492.576 5.007 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1 914547493 PCXAKWIUGSDGBC-VGOFRKELSA-N 479.005 5.134 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 915032136 MQWNWAISPRYKDM-SFHVURJKSA-N 488.352 5.044 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)/C(=C/c3ccco3)n3nnnc3-c3ccccc3)n2)cc1 915099782 AUSXPGXEVCOZNS-VLDJDNEVSA-N 478.537 5.240 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 915099840 CWVAJTDQBXOIEC-IBGZPJMESA-N 483.553 5.331 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(O)c2ccccc2n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103618 ZKFMOYRDTKSXRW-KVHHZJNNSA-N 472.614 5.459 30 20 JKED COc1cc(/C=C/C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)ccc1OCc1c(C)noc1C 915180092 LKJUUCZLJIDSCW-OEVOLBHTSA-N 493.563 6.186 30 20 JKED Cc1cc(C=Nn2c(S)nnc2-c2ccccc2Br)cc(C)c1OCc1ccccn1 915950216 CTSZUMBKWBGWNE-UHFFFAOYSA-N 494.418 5.469 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)c1 916213134 ZPIZIIBOVYZBDR-NRFANRHFSA-N 499.976 5.111 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(S)nnc3-c3ccccc3Cl)o2)c(Cl)c1 916278611 XXHNVEYWUNJYOF-UHFFFAOYSA-N 460.302 5.591 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 916311007 VTULIPRXVQLEDT-UHFFFAOYSA-N 473.558 5.214 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2)cs1 916885933 AJJAAFNKIRGYSA-IBGZPJMESA-N 489.594 6.020 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc1OC 916900480 PKWBRFORBOXVTJ-GOSISDBHSA-N 487.394 5.332 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 916911530 BSSFRLMDQSCBHK-FQEVSTJZSA-N 467.319 5.145 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 916919747 ZNZNVANLUNQVHB-OAQYLSRUSA-N 498.926 5.975 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc(-c2ccc(Cl)cc2)cs1 916976110 JZOJXVMHKMJCLK-HNNXBMFYSA-N 454.964 5.774 30 20 JKED N#C[C@@H](C(=O)C1=Cc2cc(Br)ccc2OC1)c1nc2cc(C(F)(F)F)ccc2s1 917042272 AHDNRHLQGOHWJR-AWEZNQCLSA-N 479.277 5.730 30 20 JKED CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043922 PGDHCZXOYOJUER-APWZRJJASA-N 474.508 5.015 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2cc(Cl)ccc2s1 917045372 YRYIHEDEUDHHJZ-MRXNPFEDSA-N 461.033 6.074 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 917692409 CXGCPLZBHZOCAB-GOSISDBHSA-N 484.380 5.129 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccccc1C#N 917702821 VPOPPPXXACQIFN-SFHVURJKSA-N 474.558 5.243 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccccc3F)C2=O)c1 917703728 QJRYCDPFPFZUCN-DEOSSOPVSA-N 486.572 5.475 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3ccccn3)C2=O)c1 917711734 CWASDCMTPUKQMS-XMMPIXPASA-N 488.613 5.374 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 918128401 UAOGUZPYOOTCQV-JTHBVZDNSA-N 456.521 5.364 30 20 JKED Fc1ccc(CSc2nn(CN3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(=S)s2)cc1 918732150 HRSDIXZHYFNWKI-TXEJJXNPSA-N 491.523 6.126 30 20 JKED COc1ccccc1-c1nn(CN(CCC#N)CC(C)C)c(=S)n1-c1ccc(Cl)cc1 919944747 NSRSTLIUZOHQAU-UHFFFAOYSA-N 456.015 5.561 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c(C)nn(-c4ccc(Cl)cc4)c3C)n2)cc1 920138654 HKMMTOUIRZQERB-JOCHJYFZSA-N 476.989 5.694 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccc(CC(C)C)cc1)c1cccs1 920185242 DZWGSXQZSQBYCM-XMMPIXPASA-N 461.587 5.061 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1c(C)noc1C 920354138 ZGBCPARTBUASET-VWLOTQADSA-N 498.608 5.914 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1C 920804522 SXCRDMRXGVKANB-MRXNPFEDSA-N 481.553 5.254 30 20 JKED CC(C)CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1F 921254237 OJRUWSHVMBELLV-NRFANRHFSA-N 493.551 5.127 30 20 JKED C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1nc(O)c2sccc2n1 1286622345 VKFZBNGSFLMVCL-UHFFFAOYSA-N 481.796 5.351 30 20 JKED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCCc2ccccc2)C1 1783218284 JSICGZYCIDFJQA-POURPWNDSA-N 480.693 5.277 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)CCC1 1786001628 DSWDBTFDMNHVRT-NRFANRHFSA-N 456.542 5.309 30 20 JKED CSc1ncccc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786042677 PUHFWCBRUKRXCJ-UHFFFAOYSA-N 470.598 5.056 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c2cc(O)ccc2n1 1789242694 CMHCUIHWWLYUFO-UHFFFAOYSA-N 494.526 5.321 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(c4ccccn4)CC3)CCC2)cc1 1789455736 BGIQCSQDHQDTEF-RUZDIDTESA-N 472.633 5.201 30 20 JKED Cc1cccc(C)c1SCC(=O)NC1(c2ccc(NC(=O)/C=N/N3CCCCC3)cc2)CCC1 1789514028 AHISJWSPAHBTQN-MTDXEUNCSA-N 478.662 5.001 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ccc(F)cc34)CCC2)cc1 1789578309 PFPPDWWHKUVYSH-OCSSWDANSA-N 486.547 5.086 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)CCC2)cc1 1789625528 HUTDEMCPAMAOGA-LGGPFLRQSA-N 495.664 5.512 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCN3Cc4ccccc4C3=O)CCC2)cc1 1789626635 ZRDOXEMHTSITDL-UHFFFAOYSA-N 473.617 5.159 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccncc5)[nH]n4)cc3)CCC2)c1 1789795565 HUXVQYLSOHLTHK-IBGZPJMESA-N 490.567 5.160 30 20 JKED CC(C)n1nccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)CCC2)cc1 1789802429 RKNYRTGAHKKIDP-UHFFFAOYSA-N 495.505 5.416 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c(O)c1 1790244679 SITNVEJQUZJXTP-UHFFFAOYSA-N 478.665 5.200 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CCC1 1791187564 MAHSTDOKSRVRLV-QGZVFWFLSA-N 475.511 5.183 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)Cc3ccccc3)cc2)CCC1 1791523445 HQQLYUZTWKCCCS-QFIPXVFZSA-N 491.632 5.080 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4COc5ccccc5O4)CCC3)cc2)c1 1792123204 NQDODKNRJQOLTF-NBGIEHNGSA-N 495.579 5.291 30 20 JKED Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)o1 1792168872 JRPXDWSBOVMMQT-UHFFFAOYSA-N 471.557 5.237 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)C[S@](=O)C(c3ccccc3)c3ccccc3)CCC2)cc1 1792262637 LNBCKMOPPCCCGE-BHVANESWSA-N 498.648 5.072 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)CCCc3ccnc(-c4cc(C)ccn4)c3)CCC2)cc1 1792267840 ZUQDAOPNHGSFSC-UHFFFAOYSA-N 480.612 5.322 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C2 1795128666 WMGNUHBHNAKOPP-WKCHPHFGSA-N 456.703 5.188 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C)CC1 1795394068 QROFHANEZPKSJW-LRSLUSHPSA-N 477.690 5.069 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccoc1C(F)(F)F)c1cc(F)cc(C(F)(F)F)c1 1797019364 BERYHHVDEPEVDV-QDMKHBRRSA-N 478.364 5.022 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cc(Br)ccc2c1 1797984990 SLOZXMIQCHFMTP-KIHHCIJBSA-N 481.434 5.623 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C3)c1Cl 1799305213 KBPRVOBMBJRSJX-MUJYYYPQSA-N 496.316 5.449 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(Br)cccc4c2)C3)c1 1799602053 MDGGUPBOHPIBSU-KOUNCHBCSA-N 488.385 5.040 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)/C(C)=C/c2cccs2)[C@@H]1c1cccnc1 1802432281 QKBNLUGTAFBRPP-KKLOWMGVSA-N 451.636 5.245 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@@H]1c1cccnc1 1803085021 XGBIVGRDJVIILN-CJFMBICVSA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@@H]1c1cccnc1 1806997793 CEQQHMDOTPKGPB-FLABLWBCSA-N 498.671 5.234 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1808424286 YPWXPULIVQHOQC-HOWVIDBVSA-N 493.673 5.050 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5c(s4)CCC5)C3)CC2)c1 1808801469 BPHWOMKAKFGMFT-LJQANCHMSA-N 461.631 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1810171897 LBXIGVUSXZLZGA-IWVFXYMLSA-N 494.639 5.540 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@@H]1c1cccnc1 1810494098 CSOPZXVAFKWKCE-FDDCHVKYSA-N 497.064 5.657 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)sc2Cl)[C@@H]1c1cccnc1 1811106298 ZFMPGHQCAZVKSA-HLIPFELVSA-N 478.445 5.538 30 20 JKED C[C@H](CC(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811419910 JMHNJVKRXIANAT-HEXNQTKTSA-N 487.003 5.120 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccccc3Oc3ccccc3)[C@@H]2c2cccnc2)C1 1811713648 BPVKRJWDQJUWHL-AMGIVPHBSA-N 467.569 5.160 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(CCCCC)s2)[C@@H]1c1cccnc1 1812368744 NYFNLZPYQRIDTI-QPPBQGQZSA-N 482.694 5.583 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@@H]1c1cccnc1 1812791868 JDJGRHLMNSTOGW-FUZIDMDMSA-N 451.655 5.318 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@H]1CCN(C(=O)COc2ccccc2C#N)[C@H]1c1cccnc1 1812806723 DTIOICIFYATJRC-YWEHKCAJSA-N 490.648 5.035 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)[C@@H]1c1cccnc1 1813228536 XDYMOAAYSSQOED-NBGIEHNGSA-N 498.454 5.320 30 20 JKED Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1Cl 1813827218 XBNQUWRYVWKYDX-ATIYNZHBSA-N 496.127 5.414 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)[nH]n1 1814444111 UBQAIWPNSXXNQT-HXUWFJFHSA-N 463.582 5.198 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)[nH]n1 1814823956 JTOOWKLUSPFHLB-HSZRJFAPSA-N 485.028 5.683 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)[nH]n1 1815209557 KDNMTSHFYLIRBO-HXUWFJFHSA-N 466.607 5.222 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(F)cc2F)n[nH]1 1815522046 YTZRTRMIFCRFFO-SDNYCIMKSA-N 454.521 5.162 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(C)cc23)n[nH]1 1815793057 OGGAOWAWAOGWNW-GBXCKJPGSA-N 459.594 5.203 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(-c3ccccc3)noc2C)n[nH]1 1816333049 AYDCHBDRRATTPI-QFIPXVFZSA-N 473.577 5.447 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817742161 CLKOYOXZIBALAQ-OAQYLSRUSA-N 479.531 5.297 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2Cl)N(C)C)[nH]n1 1819555945 LWGXZPJPLXCBKW-FYYLOGMGSA-N 486.060 5.351 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCc2cc(OC)ccc2OC)[nH]n1 1819556118 UOACGMLRQLUPMI-QHCPKHFHSA-N 496.652 5.434 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1821922824 PURWFWBPEXVLRS-UZLBHIALSA-N 461.591 5.395 30 20 JKED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2c4ccccc4n4ccsc24)CC3)cc1 1822166576 AMPBYJYINRFTGG-KRWDZBQOSA-N 497.605 5.022 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1822729434 HDWAPWYMXJBIBQ-TZIWHRDSSA-N 497.741 5.029 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c(Cl)c1 1823135029 NLSRNKOXEMIEHF-HSZRJFAPSA-N 473.964 5.432 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)[nH]n2)c1 1823215676 ZYUFQCNRDICIAI-SRDOKRBCSA-N 487.526 5.260 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)c1 1823677787 GCDNKVFPYSRNBT-VWLOTQADSA-N 492.982 5.379 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)CC2)c1 1823999055 GLLPOTNXMGKJAZ-MUUNZHRXSA-N 499.655 5.312 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)c1 1824036129 CMLSYJOZZDIWMO-DLMOMKDTSA-N 487.619 5.490 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)c2O1 1824052369 JUBVRKOCPNXGSZ-HHHXNRCGSA-N 499.655 5.138 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1824053900 JSEDEQBAJKDUFH-RUZDIDTESA-N 499.989 5.356 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3cccc(F)c3)CC2)CC1 1824921372 WJURRUNFVHRTOP-RPBOFIJWSA-N 452.614 5.245 30 20 JKED O=C(c1c[nH]c2c(Cl)cccc12)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)CC1 1826528111 JNHDSGPIWQXSDP-VWLOTQADSA-N 474.004 5.106 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827336801 NKBJEUQFMFDRBH-ATIYNZHBSA-N 490.648 5.091 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc(C#N)c4)CC3)ccc2s1 1828253250 BJXYTZKQLWJACJ-XMMPIXPASA-N 472.614 5.024 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1 1829069057 HYDYYDVVPSPVLG-IBGZPJMESA-N 466.453 5.614 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829757076 TUHAWKYKYXAXAX-MHECFPHRSA-N 469.029 5.176 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)CC2)CC1 1829903731 CIPBTEILYQNBRI-DEOSSOPVSA-N 457.574 5.016 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)c1 1830718707 LVVFICDJVCOQQB-RUZDIDTESA-N 494.517 5.004 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)c(Cl)c1 1830721367 DCMOKIKEAYAOLG-LJQANCHMSA-N 460.361 5.005 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)CC2)C1 1830730534 IJKGYJNYRYYEBQ-HXUWFJFHSA-N 453.385 5.332 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)cc2s1 1830890394 ZZFBRDMNBBYXTC-QFIPXVFZSA-N 495.048 5.610 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1 1831374973 WKIJZZAYEIAMEU-HTAPYJJXSA-N 465.009 5.323 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3cc(Br)cnc23)CC1 1831375731 DLQZLXRYTVCPQV-MBSDFSHPSA-N 498.465 5.443 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2F)CC1 1831447396 LXOMNHUSFJOLND-LJQANCHMSA-N 477.354 5.577 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832628640 ZITVDNVWCFDAGX-XJBLXWTFSA-N 475.658 5.712 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)c2ccccc12 1832789110 KFCUYAAGGGLUJE-MHZLTWQESA-N 471.645 5.394 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)c3ccccc23)CC1 1832999412 ZJZCPUBKPVKZEQ-FIPFOOKPSA-N 491.676 5.501 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(C)(C)C)s3)CC2)CC1 1836696308 ASYMSUZXXKGRLF-UHFFFAOYSA-N 472.695 5.426 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(Br)c3ccccc3c2)C1 1843315160 UPSRFZCRVXNRPN-FQEVSTJZSA-N 467.407 5.188 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2cccc(C)c2)c1C 10831605 HUOIZORZAZLRLS-UHFFFAOYSA-O 471.002 5.108 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)n2Cc2ccccc2)cc1 11019655 UWHMYAMZDTXEBF-MHZLTWQESA-N 473.646 5.191 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1ccc2c(c1)CCC2 11114119 PAKUHXMWFOEPAF-UHFFFAOYSA-O 455.575 5.828 30 20 JKED Cc1noc(C)c1COc1ccccc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16913039 IFHLWWCKSJQYHO-QGZVFWFLSA-N 493.585 5.257 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nc2sc(C)c(C)c2c1=O 22616508 UIDDENLWGGPRIP-ZDUSSCGKSA-N 458.634 5.029 30 20 JKED Cc1cc(C)cc(N/C(S)=C(\C(=O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 23603911 CREHTBJGALYXBC-UHFFFAOYSA-O 468.646 6.178 30 20 JKED C=CCn1c(SCC(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(Cl)cc1 26565172 UZFZFTZHSHWXNP-INIZCTEOSA-N 495.992 5.539 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(C(C)(C)C)cc2)c1 28780914 LYKSVLDZBBXBFL-UHFFFAOYSA-O 476.622 6.156 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)COc3ccc(Cl)c(Cl)c3)s2)cc1 29757665 KTFPOLHJGNQWNK-UHFFFAOYSA-N 451.360 5.026 30 20 JKED Cc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1NC(=O)N(C)Cc1cccc(C#N)c1 31661395 HTVSWJDYIHBANE-UHFFFAOYSA-N 466.545 5.066 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1 72069528 ZTUPLAVCCJQADP-UHFFFAOYSA-N 490.922 5.957 30 20 JKED Cc1c([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)cnn1-c1ccc(F)cc1 105905700 PTKGYRLNRMJWQO-QGZVFWFLSA-N 456.546 5.834 30 20 JKED CCN1C/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)/C(=C\c2ccc(OC(F)F)c(OC)c2)C1 208020722 MZNKINGULGXYNP-XFQWXJFMSA-N 495.469 5.278 30 20 JKED CCN1C/C(=C/c2cccc(OCc3cccc(C#N)c3)c2)c2nc3ccccc3c(C(=O)O)c2C1 213175299 PKYLIGDAEGJKKS-UCQKPKSFSA-N 475.548 5.760 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 216151250 DVHZQOLQNIJZCH-UHFFFAOYSA-N 458.871 5.177 30 20 JKED Cn1cnnc1Sc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1Cl 303082530 FFOHCVKMURRBAD-UHFFFAOYSA-N 475.961 5.323 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 303315640 SCZAKZQCPCJTMU-IBGZPJMESA-N 468.582 6.052 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 410151380 QIEHUIWVXMLQTA-NRFANRHFSA-N 452.963 5.172 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H](CC)c1ccccc1 481161723 DGEHWRAAAPRUCK-VWLOTQADSA-N 473.548 5.605 30 20 JKED CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481712832 OLRAAPGMLORKDY-UHFFFAOYSA-N 463.509 5.348 30 20 JKED COc1cccc(OC)c1OC1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 482934386 VBLWOPLPFJOLRE-UHFFFAOYSA-N 458.514 5.051 30 20 JKED CCOCCOc1ccccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 499210314 KEUAZZOPDLQWHO-QGZVFWFLSA-N 461.370 6.022 30 20 JKED Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 500919111 PLQQKZPORGBQFE-OAQYLSRUSA-N 470.573 5.225 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 502654216 NSUFJHMERLPRDU-UHFFFAOYSA-N 472.314 5.654 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)sc2c1CCCC2 503150908 OSWCNKJPFVWRTR-UHFFFAOYSA-N 486.306 5.657 30 20 JKED COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC1CCCC1 503561139 HKMSEZFWLZMUJB-UHFFFAOYSA-N 499.567 5.244 30 20 JKED Cc1c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nnn1-c1ccccc1Cl 504347145 HGECWTJHNJOUOR-UHFFFAOYSA-N 457.921 5.127 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 505652835 VTHUZWSHTYPTMS-UHFFFAOYSA-N 495.988 5.565 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 508240641 HJKLYSZFLILGJD-QGZVFWFLSA-N 470.529 5.590 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 508267857 PGWZVQOCOFKGMF-UHFFFAOYSA-N 464.525 6.162 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 512282633 MPHVGDPMQGSKBL-ZDUSSCGKSA-N 485.300 5.337 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 515296561 WXDPEKGPFJIWMM-UHFFFAOYSA-N 498.579 5.827 30 20 JKED N#C[C@@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F 515540967 JOWKMBXKFYHIMF-HNNXBMFYSA-N 460.465 6.305 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 515768045 ISXVKUURUHLLDA-UHFFFAOYSA-N 495.601 5.033 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)n1 516787959 NJAWCNCIVBBKSL-SFHVURJKSA-N 456.976 5.756 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 518263117 SWIWIIYTLBSBIV-VQIMIIECSA-N 450.589 5.525 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 521117946 OPEZKGQFCDFQIN-DEOSSOPVSA-N 468.944 5.020 30 20 JKED CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521740035 QJVHBEWVMSPUNH-UHFFFAOYSA-N 477.533 5.523 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)oc12 523209574 PSQVBISECSBWIJ-QGZVFWFLSA-N 499.523 5.320 30 20 JKED Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 603626614 DZVJPPSVWJDDLX-UHFFFAOYSA-N 498.564 5.416 30 20 JKED COc1ccc(C(=O)NCCCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 603758898 NSJDDXONIWSTQH-HSZRJFAPSA-N 461.949 5.153 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2)cc1 603828320 HALVDEGFAADOPA-JOCHJYFZSA-N 466.541 5.884 30 20 JKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(COc3ccccc3C#N)o2)c1 603954418 RGIGSSPPMWVRSB-OAQYLSRUSA-N 493.563 6.092 30 20 JKED CC(C)CN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc(C#N)cc1 603956103 CHKYTZUKOFGRMZ-UHFFFAOYSA-N 460.422 5.737 30 20 JKED COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603962712 WBXXQDFYRRCUSR-GOSISDBHSA-N 460.555 5.238 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 609062070 VGCSHKALTHNWND-HSZRJFAPSA-N 487.987 5.590 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2F)c1 609105975 GTBCPWIUDQNXAL-UHFFFAOYSA-N 460.465 5.037 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2nc3cc(F)c(F)cc3s2)c1 609112387 ZTVHQFFXWDBJQO-UHFFFAOYSA-N 480.521 5.429 30 20 JKED N#CCn1c(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc2ccccc21 609160955 IQEHGHWNLDPLJE-UHFFFAOYSA-N 471.357 5.299 30 20 JKED C[C@@H](NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)c1ccc(C#N)cc1 609371169 KPCAAMBSZFAYJY-SNVBAGLBSA-N 469.801 5.240 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3SC[C@H](C)C#N)[C@@H](c3ccco3)C2)cc1 609384676 GPAIJVYGDZSRJS-WZONZLPQSA-N 474.586 5.330 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1noc(-c2ccc(Cl)cc2)n1 609389658 HFUJJQGADTUNDF-CQSZACIVSA-N 458.996 5.656 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 609403488 AABBOCGRYAXAQQ-YCRPNKLZSA-N 470.019 5.498 30 20 JKED Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N 609428368 DIJDINLZFDINTG-CYBMUJFWSA-N 461.534 6.784 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCC[C@H](OCC(F)(F)F)C1 614848410 DYOZYPYGUKEEPT-ZDUSSCGKSA-N 489.338 5.093 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 642051089 YJTJPQMBSVCUNM-INIZCTEOSA-N 456.999 5.105 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1c(-c2ccccc2)nc2ccccn12 677814181 JBJZTZGLVSGGJI-UHFFFAOYSA-N 458.635 5.100 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(Cc3cc(C)on3)C2=O)cc1 726415422 LACXNTTUWQXXCS-QHCPKHFHSA-N 492.601 5.239 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=S)Nc1ccc(C#N)c(Cl)c1)CC2 726442198 WAYITNHMFSQXQS-JOCHJYFZSA-N 470.019 5.635 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)N[C@@H](C)c2cccs2)cc1 726580280 WXMVHYGMYNBQHY-SFHVURJKSA-O 480.679 5.703 30 20 JKED COc1cc([C@H](C#N)NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)cc(OC)c1OC 727647261 NOLQFBCIIIYRGU-QHCPKHFHSA-N 471.488 5.061 30 20 JKED COC1CCN(c2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2C(F)(F)F)CC1 728010483 ALAZQJUXBQRDLW-UHFFFAOYSA-N 472.467 5.137 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCCCC#N)C2=O)cc1Cl 728776760 FFCCIAGLSPUIDU-OAQYLSRUSA-N 485.009 5.311 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CCCCC#N)C2=O)cc1 728778079 OKLXUWNCXNGVOK-DIUXXVEUSA-N 482.631 5.034 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(CCCCC#N)C2=O)cc1 728780349 RFMBNGFTEVDEJF-QHCPKHFHSA-N 462.619 5.773 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1OC 729429317 KNXYOMRYCKLBAP-FQEVSTJZSA-N 456.420 5.510 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 729878926 FYUUBJALSAZAEZ-UIOOFZCWSA-N 471.988 5.982 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc3cc(Br)ccc3c2Cl)cc1 729889965 YHRYKQVQMRVCNF-AWEZNQCLSA-N 463.740 5.287 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2C2CCC2)cn1 730462636 OZHLGOPYBPMWPC-QGZVFWFLSA-N 499.946 5.088 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 731081196 ZHENKGSJTSHICK-VNQPRFMTSA-N 463.386 5.673 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccc(Cl)c2)C1=O)Nc1cccc(O)c1 731310320 FMSKLIMQSXONOP-OAQYLSRUSA-N 483.952 5.345 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1OC 743449614 SPZWKTQPSRKPKA-CQSZACIVSA-N 476.341 5.095 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc2s1 744936589 TVSHEKUUSRULDJ-CYBMUJFWSA-N 480.587 5.480 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC 747406098 SKFKDUAUUFZBJS-CUNXSJBXSA-N 469.541 5.007 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)c1 747598260 AATXKQWJFMTIRF-OAQYLSRUSA-N 499.061 5.882 30 20 JKED N#C[C@@H](C(=O)CSCc1ccc(Br)cc1F)c1nc2ccccc2n1C(F)F 748010443 PYNHTWXQWKGMDQ-ZDUSSCGKSA-N 468.298 5.443 30 20 JKED Cc1ccc2sc(-c3ccc(N(C(=O)c4sccc4C#N)C4=NCCCS4)cc3)nc2c1 748053330 GQPQXZXHVRNUPQ-UHFFFAOYSA-N 474.636 6.345 30 20 JKED C=CCn1c(SCC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)nnc1-c1ccc(Cl)cc1 751113291 IJNLRYULIJMJDG-UHFFFAOYSA-N 492.048 5.764 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)F)cc1 837672569 GOZWXYFAGWWGAX-KKSFZXQISA-N 496.539 5.405 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1F 838570364 CTPKFRNGHVXQFW-SFHVURJKSA-N 485.478 5.600 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(CC(F)(F)F)C1=O)Nc1ccc(F)c(Cl)c1 838576018 GZUBDWDAEOJQSZ-OAHLLOKOSA-N 495.832 5.280 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CC(C)C)C1=O 913119590 SVLCZQJXQQXBAC-HSZRJFAPSA-N 496.633 5.050 30 20 JKED COCc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)cc1 914772570 DXRRKPAEBOYAKB-QHCPKHFHSA-N 477.561 5.133 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 915085939 QQTTXWPPXPHQDZ-HHHXNRCGSA-N 459.574 6.758 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915087972 FSRPWTUECDMLAY-LADGPHEKSA-N 478.017 5.486 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OCc4c(C)noc4C)cc3)n2)cc1 915102439 YWPFXLVXCJEQQQ-JOCHJYFZSA-N 457.555 5.721 30 20 JKED CCOC(=O)c1sc(-c2ccc3c(c2)OCCO3)cc1NC(=S)Nc1ccccc1C#N 915999006 OUCLQXLUPMLBTH-UHFFFAOYSA-N 465.556 5.044 30 20 JKED Cc1nc(NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1SCC#N 916088628 WWPJZURRCMGKPZ-IHWYPQMZSA-N 451.417 5.757 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 916212859 RVILDIYKRXCDFH-QHCPKHFHSA-N 477.561 5.303 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C[C@@H]1CCCO1 916215202 FKDHOSKGXKBCMH-JXFKEZNVSA-N 491.535 5.153 30 20 JKED CCOc1c(Br)cc(C=Nn2c(S)nnc2-c2ccccc2)cc1Br 916307706 KPLYSJCJWHPWRK-UHFFFAOYSA-N 482.201 5.040 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917043683 MQXRCAKXQFSPGY-XMSQKQJNSA-N 452.457 6.312 30 20 JKED N#C[C@@H](C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1nc2cc(Cl)ccc2s1 917046525 KPLPBVGUKQUFAS-INIZCTEOSA-N 456.932 5.007 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2ccc(N3CCCCCC3)cc2)cs1 917559244 GOYBXJPDLPVJMZ-GDNBJRDFSA-N 463.578 6.243 30 20 JKED COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCc1cccs1 917574120 HPIFSKVXVUIUPA-UHFFFAOYSA-N 471.007 5.755 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C2CCCC2)C1=O 917704470 IVEZLMDUYFHLDE-OAQYLSRUSA-N 482.993 5.123 30 20 JKED CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 918680257 MZQHOIZUFIIGKD-AWNIVKPZSA-N 467.934 5.027 30 20 JKED Cc1cc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c2ccc(Br)cc2n1 919523330 VNTIKPQLIOLAHK-UHFFFAOYSA-N 476.330 5.214 30 20 JKED CCOC(=O)c1c(NC(=O)c2ccccc2OCC#N)sc(C(=O)Nc2ccc(C)cc2C)c1C 919980112 NMOXSQMNCTZACD-UHFFFAOYSA-N 491.569 5.257 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccc(I)cc1)c1nc2ccccc2n1C(F)F 920112510 DACWDWQQMGJNMF-HNNXBMFYSA-N 495.267 5.071 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSCc3ccc(Cl)cc3Cl)n2)cc1 920140928 DCOFBQAGSCQARN-QGZVFWFLSA-N 458.395 6.098 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(-c4ccccc4)cc3Cl)n2)cc1 920141832 MEJBZLNGAJGYKC-NRFANRHFSA-N 469.953 6.257 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)cc1 920142779 MISAMIGTUJOUNG-RPWUZVMVSA-N 481.577 5.036 30 20 JKED Cc1cc(C(=O)CSc2nc(N)c(C#N)cc2C#N)c(C)n1C(c1ccccc1)c1ccccc1 920431676 MNTPOXHRBMBWEE-UHFFFAOYSA-N 477.593 5.438 30 20 JKED Cc1ccc(O)c[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)Nc1ccc(C(C)C)cc1 920483814 GQIYUJVUJFIVMH-UHFFFAOYSA-O 490.649 5.841 30 20 JKED CC(=NOCc1coc(-c2ccc(Br)cc2)n1)c1nc2ccccc2n1C(F)F 920486336 YTBFTJWGCBWQKP-UHFFFAOYSA-N 461.266 5.790 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 920675837 DMPZCCGJGOVPIN-GFCCVEGCSA-N 463.943 5.156 30 20 JKED COC[C@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 920869921 QAMUPXBGECIHAM-ZUOKHONESA-N 495.979 5.169 30 20 JKED O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCc2c(ncn2-c2ccccc2)C1 929082913 YERDDLADJKMRQR-UHFFFAOYSA-N 486.391 5.752 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1781737703 IOPSHROUFIDZQT-QNUQTBPQSA-N 487.084 5.340 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1786058321 HNCBQTOKXPLEML-VABKMULXSA-N 481.637 5.026 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CSc3ccc(F)cc3F)cc2)CCC1 1786325113 QNJBAVGVJZTCJC-UHFFFAOYSA-N 466.500 5.402 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4cccnc4)cc3)CCC2)c(Cl)c1 1786926415 POALJOBBNFWNOK-VZUCSPMQSA-N 456.933 5.068 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(Br)cc5cc[nH]c45)cc3)CCC2)C1 1788990731 AHOQQVANKYQSDU-UHFFFAOYSA-N 478.390 5.644 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ncc(F)cc3F)CCC2)cc1 1789507452 BUUCSAVNNQFYHA-UHFFFAOYSA-N 469.608 5.159 30 20 JKED CC(=O)Nc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)o1 1789517766 QRTZUHMLGKVUEA-UHFFFAOYSA-N 479.653 5.037 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cc5occc5n4-c4ccccc4)CCC3)cc2)c1 1790147139 LJOWIVHZYMISRJ-UHFFFAOYSA-N 489.535 5.485 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cncc(-c4ccccc4C=O)c3)cc2)CCC1 1791106845 QYQYERGYIDCMCU-UHFFFAOYSA-N 465.553 5.112 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(Br)cc3F)cc2)CCC1 1791196815 MXYXMYGPIWCKKJ-UHFFFAOYSA-N 491.426 5.184 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ccnn5c4)CCC3)cc2)c1 1792127174 SADYXQIJAJZYBI-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)cc2)CCC1 1792342217 FOCDMOOOJQJFBA-RLLPEYFOSA-N 481.637 5.121 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCCN(C(=O)OC(C)(C)C)C4)cc3)CCC2)C1 1792394536 MTLULHMIHXDUNA-FQEVSTJZSA-N 481.637 5.124 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1793443844 OAIIDKZMLMCOIF-KQLYMOGASA-N 487.547 5.010 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)[C@@H]1c1cccnc1 1802492416 PXDQDCCYKWWNCG-AJTFRIOCSA-N 472.633 5.112 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1802495383 LAHAEJVGHBZHLR-IRLDBZIGSA-N 473.539 5.412 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1803083387 CAQQFZIYPUTGMA-VPUSJEBWSA-N 468.601 5.026 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2c2cccnc2)CC1 1808421066 GMUXCWCGBCZRTO-WNCVPGHQSA-N 493.673 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1810173770 XHIVDYXCZCZVOD-BFLUCZKCSA-N 487.644 5.273 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nscc23)[C@@H]1c1cccnc1 1810503143 OJIDIKBHYKRIRF-WMZHIEFXSA-N 462.619 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)[C@H]1c1cccnc1 1810503473 RETJUIYIJKZJFJ-GCJKJVERSA-N 457.977 5.186 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)CC2CCCC2)[C@@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811251525 LOPROPJBDPPLBT-IGYGKHONSA-N 491.635 5.381 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1 1812590775 OJEQKMPNFUHBHC-IQOKHDRSSA-N 474.432 5.239 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc4ccc(Cl)cc4c3)[nH]n2)cc1 1814499258 ZVKBBUKRXHHBFB-XMMPIXPASA-N 498.974 5.032 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1815094569 UMGGBPPYFMZHIB-NGRMBUTOSA-N 494.642 5.083 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3CCCCC3(F)F)n[nH]2)cc1C#N 1815354180 QFCIQCAQPNCTTJ-TZIWHRDSSA-N 499.562 5.200 30 20 JKED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)[nH]n1 1816749408 HHZHUNXXMRTKDE-OAQYLSRUSA-N 497.477 5.440 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3csc(-c4ccccc4)n3)n[nH]2)cc1 1818362120 KIUIBGKQJHVGPW-QFIPXVFZSA-N 482.569 5.025 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4cnccc4c3)n[nH]2)c1 1818646407 DQSRTIVQSCXMDL-AVRWGWEMSA-N 478.556 5.205 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nccc3occc23)[nH]n1)c1ccccc1 1819518433 PXMJXCVSODPGGM-NFBKMPQASA-N 481.556 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)[nH]n1 1819553018 NUVCYFVXBSXXAE-DEOSSOPVSA-N 489.620 5.712 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)[nH]n1 1819553528 KLAYDUMUBYWIOM-QGZVFWFLSA-N 463.504 5.122 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)nc4ccccc34)[nH]n2)c1 1820485591 QQFDTPDYBBQKHH-JOCHJYFZSA-N 484.947 5.103 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)n[nH]2)cc1 1821048559 LRXDBQGUTRXXAB-SANMLTNESA-N 491.551 5.693 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821523938 GRFJWSGSRXNXRN-VGOFRKELSA-N 471.561 5.669 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc3ccc(Cl)cn3c2C)n[nH]1 1821563605 AESQANKNOKCXCY-IBGZPJMESA-N 483.016 5.318 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(O)cc2Cl)n[nH]1 1822310219 VKSOFWNOTINNIE-LBGHRLISSA-N 468.985 5.243 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cn3ccc4c(F)cccc43)[nH]n2)c1 1823210849 IZYYVPHOENGIQD-IQGLISFBSA-N 498.562 5.137 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C(F)(F)F)c[nH]3)[nH]n2)c1 1823211762 IFGVHWPUCWNKDI-XOBRGWDASA-N 484.482 5.003 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)n[nH]2)c1F 1823291339 RUEFFNUHCSQMSA-QFIPXVFZSA-N 489.551 5.136 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)COc3ccccc3C#N)n[nH]2)s1 1823386725 WZTLWKHVWSQMIX-LJQANCHMSA-N 491.617 5.025 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)c(Cl)c1 1823685737 FTJPSMOFMVCDKR-AREMUKBSSA-N 494.035 5.086 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)CC2)cc1 1823814800 QRJATBDLDZOIGV-WXFUMESZSA-N 489.582 5.089 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)c1 1825574608 GBMJECZGCSLGCW-MHZLTWQESA-N 484.575 5.240 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 1826510095 KINHILYRYVSOPR-VWLOTQADSA-N 497.561 5.362 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)CC1)c1ccccc1 1827416564 PDDLSIJZJHSHPG-AHWVRZQESA-N 499.611 5.365 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)CC1)c1ccccc1 1827926909 RITDYAZVWNANFX-FQLXRVMXSA-N 485.672 5.383 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828686547 XVPGZCCHWJCATQ-JOCHJYFZSA-N 471.045 5.442 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1829562851 KLKYLKNWOMZPQG-RUZDIDTESA-N 483.616 5.013 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1829596952 VAHDBOKYBIVNKX-QHCPKHFHSA-N 474.630 5.433 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1829672823 WGQGWFALYNLAOQ-SANMLTNESA-N 472.564 5.034 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 1829955380 PHHUIQROLNFHAH-XMMPIXPASA-N 483.534 5.053 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1829975113 IZEVTATYUCEPDF-HSZRJFAPSA-N 470.400 5.412 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536253 MYRFUAPZMMBOSU-QGZVFWFLSA-N 482.440 5.420 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CCC1 1830540292 PIXDRHSBCYDRPS-HXUWFJFHSA-N 481.946 5.286 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770981 OJBJXSZETPSBBQ-HSZRJFAPSA-N 480.008 5.076 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1830787556 GYBDXQVQAGOEKU-AMGIVPHBSA-N 487.644 5.486 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831790984 LEZCWWIQIHEBRX-ZRJFKUPHSA-N 498.667 5.313 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 1831852309 BTRRODLJXVFNCP-NRFANRHFSA-N 497.836 5.278 30 20 JKED COC1(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CCC1 1832497860 XTJAIVIFTJGCRB-LJAQVGFWSA-N 498.667 5.279 30 20 JKED COc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832595733 YPUFEJFKHRQCBM-SIBVEZHUSA-N 477.580 5.008 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832670206 FPFWPPHDUSJWBZ-KBMIEXCESA-N 494.035 5.523 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1C#N 1832704805 VMFWPXWIQDJBCB-IARZGTGTSA-N 499.655 5.382 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccccc2C#N)CC1 1832793605 AEMVGFDTCGNKLY-RUZDIDTESA-N 481.681 5.553 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)CC1 1838743166 ADXFQJLGWRXTNJ-UHFFFAOYSA-N 499.095 5.344 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1 1847618973 GRXSACCLNXYSEP-KRTNPPBASA-N 479.983 5.140 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C)c2C)[n+]2ccc(C(C)(C)C)cc2)c1C 10168047 VBSNRLICDQVDAA-UHFFFAOYSA-O 492.665 5.671 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 11084927 SXQXLSNRFFDMAG-UHFFFAOYSA-O 499.498 6.040 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1C(F)(F)F)[n+]1cccc(O)c1)c1ccc(F)c(F)c1 11157107 BJHOXFUWPBPOAH-UHFFFAOYSA-O 453.412 5.028 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nc2scc(-c3ccccc3)c2c1=O 11297042 XDRWPGOKNMSLOU-UHFFFAOYSA-N 493.013 6.307 30 20 JKED C=CCn1c(SCC(=O)N(C)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 11382631 JSMSBCGEWSPUOG-UHFFFAOYSA-N 453.614 5.128 30 20 JKED C=CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1Cl 14070345 ALYOYJPVNUEDAA-UHFFFAOYSA-N 467.809 5.500 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)ccc1OCC(=O)Nc1ccccc1Cl 16408153 HVCUHPXLWFAJEC-WUXMJOGZSA-N 487.886 5.864 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H]1COc2ccccc2O1 16726597 AECVRZGGIZZHDN-YWZLYKJASA-N 470.982 5.058 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(CC#N)cc2)n1-c1ccccc1 20075663 ZSUUOYSVRWZZSE-UHFFFAOYSA-N 483.597 5.260 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1OC 21456199 MSDHFEKRBBLTFR-QHCPKHFHSA-N 474.561 5.751 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)nnc1-c1ccoc1C 23519137 JAJWJLUZPPQQJO-DEOSSOPVSA-N 476.577 5.512 30 20 JKED C=CCn1c(SCC(=O)Nc2cccnc2Cl)nc2scc(-c3ccccc3)c2c1=O 23559031 AHMLLYFDXQWVEA-UHFFFAOYSA-N 468.991 5.090 30 20 JKED OC(=N\c1nnc(Cc2ccccc2)s1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 23652679 BWHUZSRNIRPRPV-CYVLTUHYSA-N 471.571 5.130 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1 29202534 NSNVZBMWUQTXOO-UHFFFAOYSA-N 482.540 5.479 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nc2sc(C)c(C)c2c1=O 32324134 HRTPSVMNKVJABG-SFHVURJKSA-N 495.592 6.035 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)nnc1C1CC1 68887533 OEXXDFLOYQWPKE-UHFFFAOYSA-N 485.407 5.627 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 72025330 ZBWYWSHDHQSZCX-UHFFFAOYSA-N 457.917 6.539 30 20 JKED N#CCCCOc1cccnc1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 72086253 NDQGQDBHUIWKCJ-UHFFFAOYSA-N 460.584 5.918 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccccc1OCC(F)(F)F 97542486 DCLMPMDEGAJNJV-UHFFFAOYSA-N 470.447 5.404 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 303023911 MIMVGQKFGVMVBK-UHFFFAOYSA-N 455.436 5.658 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c2ccccc2)cc1 480997386 CNAVIPGHKZTKOP-MUUNZHRXSA-N 493.538 5.429 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2cccc(Cl)c2)no1 501125913 ARYISQNAUFWYTR-UHFFFAOYSA-N 474.373 5.692 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)n2)cc1 501147343 COEUTXBPYIKLJV-UHFFFAOYSA-N 484.531 5.621 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 501165522 VTEDJNBUSDXLNI-UHFFFAOYSA-N 491.513 5.370 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(CSc3ccccn3)c2)cc1C 509857607 BPAMPJBNVQHGTJ-UHFFFAOYSA-N 467.598 6.020 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)c2)c1 511478378 RRUPLLDAQZMGPF-UHFFFAOYSA-N 462.513 5.008 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 512067536 HNKOHOKZJHGMHO-ZDUSSCGKSA-N 481.836 6.134 30 20 JKED CCN(Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1)C(C)=O 513982980 KBZNTGLOMILWOF-UHFFFAOYSA-N 458.537 5.300 30 20 JKED Cc1cc(NC(=O)c2ccccc2I)sc1C(=O)Nc1ccc(C#N)cc1 515608796 XNMGDOUEYYDFHO-UHFFFAOYSA-N 487.322 5.037 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 515702994 GHAQIVMEPAEDSM-UHFFFAOYSA-N 481.021 5.038 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 516343441 DNCGOUJCXBFUKV-INIZCTEOSA-N 462.314 5.358 30 20 JKED COc1ccc(C2(CNC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCCC2)cc1 520194307 ORSURKJISPUVIJ-IBGZPJMESA-N 465.619 5.046 30 20 JKED CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CCN(C(=O)c2ccccc2)CC1 520582473 KDSAGZJUHVTPJN-UHFFFAOYSA-N 454.530 5.119 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 520601546 XQXRHANMIHUTIL-UHFFFAOYSA-N 451.530 5.534 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)c1 520923521 QBRTVPOEIZKXOH-SFHVURJKSA-N 475.570 5.359 30 20 JKED Cc1cnc(-c2cccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)c2)o1 521792052 IXUWQMKDEFSPKL-UHFFFAOYSA-N 468.538 5.505 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 521813124 WLKFNNOBJCZCOA-LSDHHAIUSA-N 482.606 5.468 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 522424962 GIVZJVZPDVGXTB-NFBKMPQASA-N 458.953 5.557 30 20 JKED Cn1ccnc1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1F 523591379 JBVCXAFWNKGYIM-RUZDIDTESA-N 471.511 5.071 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2Cl)c1 524392398 GWEINYXXMQOVPR-UHFFFAOYSA-N 464.924 5.617 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1 559852429 QRJDWJGKWXLXOW-RUZDIDTESA-N 483.568 5.018 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc2cc(C(F)(F)F)ccc2s1 596533285 DMSMDTXHTFEUEL-CYBMUJFWSA-N 487.484 5.700 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1Cl 603758846 LAYZXDKYCBIDDD-RUZDIDTESA-N 487.987 5.252 30 20 JKED Cc1cc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1OC(C)C 603983670 KTLRFXWSEAJQIK-UHFFFAOYSA-N 450.560 5.228 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 604003983 NYIGREGHSKQOAO-UHFFFAOYSA-N 487.515 5.385 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 604364087 DUBCPFBSXOTHBV-GJZGRUSLSA-N 457.374 5.945 30 20 JKED COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609062155 AWHRNNAALNPMKG-INIZCTEOSA-N 480.973 5.697 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccc(NC(=O)C2CCC2)c1 609078362 KZDUNAGPFNPDQM-UHFFFAOYSA-N 468.557 5.506 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 609377949 SFAJMCVEKJEUJE-HXOBKFHXSA-N 457.555 5.133 30 20 JKED COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)n2)cc1 609427169 RRYGJBPIRNCXBK-UHFFFAOYSA-N 454.486 5.371 30 20 JKED COc1cc(CNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 612429109 AUWCHIFJDRKXGK-VXGBXAGGSA-N 496.370 5.345 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc(F)ccc1C 613428005 XNPDSIHQDJTSIP-HNNXBMFYSA-N 460.962 5.263 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 615517157 RDYRFNDZTPVKCK-UHFFFAOYSA-N 457.574 5.511 30 20 JKED Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)n1 618542683 AMEBEXQSQPRBKH-CHWSQXEVSA-N 452.374 5.223 30 20 JKED CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2cnn(C(C)C)c2n1 620304364 VQXZSDQUCDRLMB-OAHLLOKOSA-N 465.529 6.027 30 20 JKED Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 622572279 BLGXIFHFJUAHEF-UHFFFAOYSA-N 451.701 5.123 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 642018117 QQGRHTCWKMILHA-INIZCTEOSA-N 456.999 5.105 30 20 JKED C=CCn1c(Sc2ncnc3scc(-c4ccc(OC)cc4)c23)nnc1-c1cccnc1 669623714 HMUBZSJJDMXQNJ-UHFFFAOYSA-N 458.572 5.358 30 20 JKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)ccc1-c1ccccc1Br 726320135 SXWLTQYOSGAIKN-MRXNPFEDSA-N 456.727 5.069 30 20 JKED N#Cc1cnc2ccccc2c1OCCOC(=O)Cc1csc(-c2ccc(Cl)s2)n1 726363880 DUJDQOURXYTWOV-UHFFFAOYSA-N 455.948 5.110 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)N[C@H](C)c1cccs1 726576358 CRNRIWHSBFIWSI-GOSISDBHSA-O 480.679 5.566 30 20 JKED CCOC(=O)C1C/C(=C/c2cn3cc(Cl)ccc3n2)C(=O)/C(=C/c2cn3cc(Cl)ccc3n2)C1 727975255 RPWLGPHMFPJNFW-CKOAPEAFSA-N 495.366 5.298 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 727995782 DKLQBTOJIVVSRZ-JLHYYAGUSA-N 479.580 5.336 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Br)cnc1Cl 727996187 GQEUSUNTYIJEQU-UHFFFAOYSA-N 456.727 5.509 30 20 JKED Cn1nc(Br)c2c(NN=C3CCCc4nc(-c5ccc(Cl)cc5)sc43)ncnc21 728429429 FQXXWSSAKUGSJU-UHFFFAOYSA-N 488.802 5.055 30 20 JKED CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cn1cc(C#N)c(=O)c2ccccc21 728704890 OYPNRFUTPZWVMG-UHFFFAOYSA-N 491.956 5.070 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CCCCC#N)C2=O)c1 728777782 ONFAMKSPCCHDJI-NRFANRHFSA-N 469.010 5.611 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1CCCCC#N 728779393 ZFPKCPBQGFTCPI-HXUWFJFHSA-N 499.980 5.211 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](c2ccccc2)C2CCC2)cc1Cl 729145153 IYDOUEZZZQSBJC-VWNXMTODSA-N 493.032 5.353 30 20 JKED CN(C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1)C(=O)OC(C)(C)C 729557560 UAPDPAFWUHXUAG-AVRDEDQJSA-N 483.012 5.716 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730474741 MQYGTDCHTCTUAJ-UHFFFAOYSA-N 462.481 5.792 30 20 JKED CCCCOc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1OC 730583809 LJSUAFVGLRLCSG-UHFFFAOYSA-N 481.405 5.522 30 20 JKED N#C[C@H](C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1nc(-c2ccccc2)cs1 730686254 FKTKJOLITKCDCV-QAPCUYQASA-N 499.379 5.198 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1Cl 730717191 GUMLJNFHVYMGAR-QGZVFWFLSA-N 493.347 5.281 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1 730943984 PCXAKWIUGSDGBC-JTSKRJEESA-N 479.005 5.134 30 20 JKED C[C@@H]1CCCC[C@H]1OCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731307832 VPKTYCJWNWDXRW-ZQMYSKGWSA-N 499.608 5.087 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc(C)on2)c(Cl)c1 731309704 UVATXTJTPQPBBN-FQEVSTJZSA-N 498.992 5.119 30 20 JKED CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cccs2)cc1 731405920 RUAMGSBNIQHQHV-DFBJGRDBSA-N 491.682 6.185 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)c4ccnc(F)c4)c3C#N)C(C)(C)C2)o1 743189212 SGARTNVIGFHNFI-ALCCZGGFSA-N 491.544 5.629 30 20 JKED CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnnc2-n2nc(C)cc2C)cc1 744747496 QMZUUJUYFYHBJV-UHFFFAOYSA-N 482.617 5.318 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)c2)cc1 744916797 NTDBJMCZVXZACQ-UHFFFAOYSA-N 492.579 5.158 30 20 JKED CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747001531 AIQYSMVCDZVHAJ-QFIPXVFZSA-N 494.364 5.231 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCCOC2CCCC2)C1=O)Nc1ccccc1 747044743 XUZOYRKHDCMYDP-QFIPXVFZSA-N 469.582 5.135 30 20 JKED CC[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1 749613428 VEMLNCSMHTYLOW-VWLOTQADSA-N 499.995 5.297 30 20 JKED N#Cc1cc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)ccc1Cl 787092503 FQGPADKVJKGFMP-UHFFFAOYSA-N 487.915 5.796 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 837285034 HNAFHFZMBYLQER-DFBJGRDBSA-N 480.593 5.956 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C3CC3)CC2)c1C 837402781 VJAONCBBYMUZSF-XMMPIXPASA-N 494.636 5.030 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 837915451 UCGLJAJSQRSFJV-JPYJTQIMSA-N 458.587 5.366 30 20 JKED O=C(c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)N(O)Cc1cccc2ccccc12 901367412 DLFNOZIXDMYDGJ-ZCXUNETKSA-N 458.539 5.284 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(-c2nc(Cc3cccs3)no2)c1 904343747 AJKQDNRWTZQWQX-UHFFFAOYSA-N 471.991 5.424 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)c1 904634006 ISAAJYDDDZQDSH-INIZCTEOSA-N 479.924 5.129 30 20 JKED CCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(NC(C)=O)c1 913120534 KASSDDLDRREHJV-HSZRJFAPSA-N 480.634 5.412 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2sccc2C)C1=O 914546941 TYWMUSONGHCTQB-HXUWFJFHSA-N 465.600 5.226 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N([C@@H](c2ccccc2)C2CC2)C1=O 914549206 BSTHSXLPOPBZKF-QUCCMNQESA-N 462.402 5.212 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccccc2SCc2ccccc2)CC1 915329569 FIQYJEPWQBIIRV-UHFFFAOYSA-N 459.575 5.070 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C[C@H]1CCCO1 916215953 LZJXBMTUIQEGGL-VWNXMTODSA-N 473.598 5.288 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccccc3)C2=O)c(OC)c1 916215974 MKKKSTSXEONBHK-DEOSSOPVSA-N 489.597 5.173 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NN=C(C(=O)c3ccccc3)c3ccccc3)cs2)cc1 916267078 YJDDJQRQTAGKOF-UHFFFAOYSA-N 482.565 5.542 30 20 JKED C=CCOc1ccccc1CN(C(=S)NCc1cccs1)c1ccc2c(c1)OCCO2 916546974 XFKNGMCHXBVYDH-UHFFFAOYSA-N 452.601 5.165 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 916929504 MTCHYVDXZCSKJP-SFHVURJKSA-N 478.961 5.078 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)sc2C)cc1 916944609 JEIGYYQKGPYZKC-LJQANCHMSA-N 459.354 6.000 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)n2)cc1 916975339 XWICKNMVNDUNRV-VAMGGRTRSA-N 455.608 6.655 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2cccc(Br)c2)c1=S 917482647 LKCNYAXKQOCAKZ-FQEVSTJZSA-N 485.451 5.833 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C#N)cc1 917703085 KRMHRCHHKJWKON-HSZRJFAPSA-N 472.545 5.166 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 920142676 VQYGITJEPDVHEJ-HNSSHINMSA-N 491.416 6.609 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3c(C)noc3C)C2=O)cc1Cl 920355191 LUDWOBOVQQBEPB-OAQYLSRUSA-N 482.993 5.414 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cc(C)on3)C2=O)cc1 920359011 FVMAGVFVADGQKU-XMMPIXPASA-N 484.581 5.605 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(Cc2ccccc2)cc1 920396089 QNYWGZNFFKTHQP-UHFFFAOYSA-O 474.650 5.343 30 20 JKED N#C[C@@H](C(=O)CCCc1nnc(-c2ccccc2)o1)c1nc(-c2c(F)cccc2F)cs1 920805669 FEUCSWZOQKANNK-HNNXBMFYSA-N 450.470 5.337 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1nc(-c2c(F)cccc2F)cs1 920806728 OUCKTONEKSAYEQ-INIZCTEOSA-N 467.497 5.008 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CC2CCC2)C1=O)Nc1ccccc1C(F)(F)F 920927060 HGXOGMAROBUTIK-IBGZPJMESA-N 497.489 5.744 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 921133266 VOYQMNKNAWHLGQ-LBPRGKRZSA-N 483.974 6.109 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CCC2)cc1 1786360458 PMRQAISOYYBJHD-HXUWFJFHSA-N 492.579 5.016 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CCC2)cc1 1786365799 QWBRCQJXRZYYGD-DNQXCXABSA-N 450.554 5.046 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc[nH]c4cc3Cl)cc2)CCC1 1789073690 HXVGACOSIKUWFN-QFIPXVFZSA-N 465.981 5.142 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CCC5)CCC4)cc3)cc2n1 1789220411 PERFWDYJAGRGDN-UHFFFAOYSA-N 472.976 5.638 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc(F)ccc5[nH]4)cc3)CCC2)c1 1789233405 KTSUUGSXPIYWCK-UHFFFAOYSA-N 452.489 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454123 QXMCFADBFCXVAQ-AMGIVPHBSA-N 499.627 5.238 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)CSc3c(C)cccc3C)cc2)CCC1 1789647515 UKFZJJQRYPWESN-UHFFFAOYSA-N 480.630 5.039 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790081662 AFMLGOKWKDUADH-UHFFFAOYSA-N 496.007 5.471 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C)cc2)CCC1 1790477684 NALYJDGTHVUDNF-URXFXBBRSA-N 495.664 5.350 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)cn4)CCC3)cc2)cc(C(F)(F)F)c1 1790785247 XPHVWLVNMZILEQ-UHFFFAOYSA-N 496.464 5.102 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3N(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791249364 RAFOXKALAVVZOI-DVJXIFHOSA-N 495.664 5.368 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1791252260 LCEWAVWZURQXEH-IUBSTNSRSA-N 495.664 5.226 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)noc3C)CCC2)cc1)C(F)(F)F 1791302036 LASOESVRSLJKRH-UHFFFAOYSA-N 469.463 5.516 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cn4c(Br)cccc4n3)CCC2)cc1 1791729104 VKDSJGIVUMBQBL-UHFFFAOYSA-N 493.405 5.038 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1)NC(=O)OC(C)(C)C 1792040087 XNZSSYGDCLUJHP-QHCPKHFHSA-N 495.664 5.560 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)C(=O)CC5)CCC3)cc2)c1 1792126630 IBJNRBREMAWQDE-IBGZPJMESA-N 477.564 5.504 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)cc3)CCC2)C1 1792209660 QELXFCVHAMZVMC-XZOQPEGZSA-N 481.637 5.170 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)c[nH]c2c1 1792365208 UUFDZOICCNSURK-YMRVVSSESA-N 480.568 5.336 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)C3)cc1 1792482839 MNGVLAZIZXZUCW-NUNAXRQHSA-N 484.427 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1797919867 UFBOTGHAJJVBCC-IEMBSSLISA-N 487.644 5.010 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C13CCC(NC(=O)OC(C)(C)C)(CC1)CC3)C2 1798334887 PIJCBRPGESYPEY-YEUYTWOHSA-N 499.696 5.011 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCc3c1[nH]c1ccc(Cl)cc31)C2 1801637514 HYKIDQDNGXXWMP-PEVLUNPASA-N 454.014 5.092 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)[C@@H]1c1cccnc1 1802498949 PNVVGEJUBWSQJI-JKZYNQPXSA-N 471.601 5.539 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)C3)[C@H]1c1cccnc1 1802503026 KENQPLRULPOXNY-UPVQGACJSA-N 475.633 5.107 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)COc2cccc3ccccc23)[C@H]1c1cccnc1 1804165976 GBZVSKPJNANDQS-RBJSKKJNSA-N 485.628 5.312 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)c3ccccc3CSc3ccccc3)CC2)C1 1805046202 TXOWXMMQHFCTSM-UHFFFAOYSA-N 475.658 5.373 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccnc3ccccc23)[C@H]1c1cccnc1 1808961383 GGMUQNDWQQUXMV-QDPGVEIFSA-N 498.703 5.001 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810173133 FSGSYAYBHPQEIJ-MIZPHKNDSA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)[C@H]1c1cccnc1 1810491881 HKZPCJRUPHYLCR-YKSBVNFPSA-N 472.004 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@H]1c1cccnc1 1810504409 YRNDFYVFLCFRGJ-ZCYQVOJMSA-N 477.649 5.571 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1812673409 TWZJWHGTQKJJFH-NOZRDPDXSA-N 492.570 5.020 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1813978155 WXGXVWLXHOOXCX-OPAMFIHVSA-N 478.807 5.165 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3F)[nH]n2)cc1 1814379429 XFGKMRACANUSBU-JOCHJYFZSA-N 497.933 5.152 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccccc2)N(CC)CC)[nH]n1 1814828461 MTOCMBAEDUTDQG-AOYPEHQESA-N 477.653 5.253 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1 1815556479 ACTVMFSBPKORPN-ZJSXRUAMSA-N 468.649 5.164 30 20 JKED Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)cc1C 1815633810 WMSFJJUCSHUKQU-CPJSRVTESA-N 469.589 5.202 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c1 1815790779 CDEZXKHMMXNVQP-JWEJGLHDSA-N 492.583 5.537 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817772513 XHGDHOIOEZAECF-XMMPIXPASA-N 492.583 5.481 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n[nH]1 1818165082 BIMVLUCHFUCUMQ-OXQOHEQNSA-N 497.983 5.430 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)n[nH]1)C(F)(F)F 1818931484 PXBAXQKHYQOAHN-IMBTUZDBSA-N 452.521 5.127 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cc2cc(F)ccc2[nH]1 1818990775 MTTBELBJRJBHQS-QHCPKHFHSA-N 489.938 5.041 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)n[nH]2)c(Cl)c1 1818993955 JDJRSWZDSXOBSW-QFIPXVFZSA-N 490.926 5.175 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)[nH]n1 1819311042 JFIPYZBKYLUVCF-KDOFPFPSSA-N 462.928 5.416 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)n[nH]1 1821008919 UNKIFINORDYWOI-QFIPXVFZSA-N 477.609 5.057 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)c21 1821277755 HVMMJMSCHUHQBX-QFIPXVFZSA-N 486.963 5.046 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)cc2F)[nH]n1 1821989551 AGUMRPKDAUKCQT-INIZCTEOSA-N 475.298 5.373 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1)C(F)(F)F 1821991896 ABHZWAKBRPEEEQ-OAHLLOKOSA-N 482.915 5.702 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](C#CC)c2ccc(O)cc2)n[nH]1 1822466876 DKWVHWSATYLBEQ-RSEQLOHWSA-N 474.605 5.073 30 20 JKED Cc1ccc(COCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1C 1823213174 VROGGOSXSKKFJP-HFZDXXHNSA-N 499.615 5.176 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)[nH]n2)c1 1823215047 MBWCAOFFPWXZMX-VGSWGCGISA-N 467.529 5.403 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 1824035832 YMONWIPASMQJIW-ZJSPYRCASA-N 452.614 5.317 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)n2)CC1 1824139976 UVDGWFBFYVIJSG-QFIPXVFZSA-N 477.571 5.031 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824954497 FQZICSQOYCXZMY-NOZRDPDXSA-N 477.114 5.619 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccsc2)CC1)c1ccccc1 1827163052 AAUODTSFIPPNPL-CLJLJLNGSA-N 462.659 5.108 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1 1828188269 PALXPXQFTKHVIM-XMMPIXPASA-N 474.988 5.371 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncncc3c2)CC1)c1ccccc1 1828650551 JYEJNTIBLKNBKZ-XRKRLSELSA-N 494.639 5.060 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccnc2Cl)CC1)c1ccccc1 1829030565 RLBTVIZPFXJWLH-UIOOFZCWSA-N 492.063 5.094 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1829765461 BSFCUUILJSLPRA-RLWLMLJZSA-N 495.067 5.732 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829821888 QDOIOUSFMOEAGH-HSZRJFAPSA-N 496.055 5.099 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1829821890 QDOIOUSFMOEAGH-QHCPKHFHSA-N 496.055 5.099 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)cc2F)CC1)c1ccc(O)cc1 1830094337 SBZCWYMUMOWYJG-WXVAWEFUSA-N 494.582 5.101 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@](C)(OC)c2cccc3ccccc23)CC1 1830161520 ZINCJPWUCCQWHZ-POURPWNDSA-N 474.645 5.125 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)CC2)c1 1830191551 IQIHPCQJBIYGMX-RBTNQOKQSA-N 482.628 5.271 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1830415725 ZYQKTGOGBOWUAA-WMLDXEAASA-N 474.454 5.089 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1830509232 FYMNKULMMFQKHA-SANMLTNESA-N 491.607 5.340 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1830607127 XHECYXNKCRKEIE-AREMUKBSSA-N 479.690 5.247 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1 1830715431 WNZGTKSFPRMKBN-XMMPIXPASA-N 467.972 5.206 30 20 JKED Cc1ccc(NCCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c(C)c1 1830718413 IMOUOVDYXSFCTI-HHHXNRCGSA-N 490.623 5.050 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)c1 1830767465 CRGUBNREKGZVLR-RUZDIDTESA-N 475.633 5.613 30 20 JKED COc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)c(Cl)c1 1830770654 FSPLERBGAVFUMW-VWLOTQADSA-N 480.008 5.076 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)nc3ccc(F)cn23)CC1 1830892677 SPBGLOYPEAGGDD-JOCHJYFZSA-N 468.617 5.008 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831307130 NGZVCCJCHGXSPJ-QFIPXVFZSA-N 483.505 5.465 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831851827 ALBVCFZYBAONFT-SMCANUKXSA-N 499.699 5.283 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 1832028215 IUXXTIFWYRNWDD-DEOSSOPVSA-N 481.036 6.027 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccoc2)CC1)c1ccccc1 1832348240 RIGJVBLABABWSI-RRPNLBNLSA-N 460.618 5.029 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1832828738 BWMPLSKWAQWMGJ-AREMUKBSSA-N 493.047 5.566 30 20 JKED CC1(C)CCC(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(C#N)c4Cl)CC3)CC2)CC1 1836420850 SENFNZOTHGRXGA-UHFFFAOYSA-N 499.099 5.003 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)CCc4cccc(C#N)c4)CC3)CC2)CC1 1836647396 VSDTUMVOMNMVCV-OJBMAJLDSA-N 493.692 5.096 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(OCC(F)(F)F)cc1Cl)C2 1841057723 TYNNPWCCIHJVFY-UHFFFAOYSA-N 472.935 5.091 30 20 JKED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)C2(c4ccc(Cl)cc4)CCCCC2)C3)cc1 1845412849 FSWLEFKUAPRKPV-UHFFFAOYSA-N 476.020 5.125 30 20 JKED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CCC[C@H]4CCCC[C@@H]42)C3)cc(C(F)(F)F)c1 1845513495 SWXZGXAHZGMNAM-BVYCBKJFSA-N 473.539 5.001 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccc(F)cc4)cc3F)C2)c1 1845569986 GNNWKHIAQYIBNK-LJQANCHMSA-N 485.534 5.390 30 20 JKED C=C(Cl)CSC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 9636623 ZCLRRTIAFYXVMT-UNOMPAQXSA-N 463.937 5.583 30 20 JKED COc1cccc(Nc2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)s2)c1 9658692 PQRFRONAXHAQHZ-UHFFFAOYSA-N 474.011 5.291 30 20 JKED CCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc2scc(-c3cccs3)c2c1=O 9751166 WGVOENZOQVZQDM-ZDUSSCGKSA-N 466.613 5.197 30 20 JKED C[C@H](OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1)C(=O)Nc1ccccc1C#N 10418976 UURMIOUGNPJWPO-SFHVURJKSA-N 483.549 5.587 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)cs1 10778121 NGFSDZJQQIIIAJ-AWEZNQCLSA-N 489.475 5.229 30 20 JKED Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c1 18587096 HHEOKNRYKRALCN-HNNXBMFYSA-N 452.605 5.675 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)N(CC#N)c3ccccc3)o2)cc1 18754142 UKNUEWRQBPTAFL-UHFFFAOYSA-N 451.482 5.031 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 22175380 QAFJMELTFLAWBD-HXUWFJFHSA-N 489.670 5.703 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(C(C)(C)C)cc2)cc1 22803035 IJTFVJWHZREXHO-UHFFFAOYSA-O 481.707 5.730 30 20 JKED CC(=O)Nc1ccc(-c2csc(/N=C(\O)c3c[nH]c(=S)n3-c3ccc(F)cc3)n2)cc1 29114370 XTUBPLIQTRTRHG-UHFFFAOYSA-N 453.524 5.392 30 20 JKED C=CCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1[C@@H]1COc2ccccc2O1 32559472 RQZQKSJNIITKDC-NRFANRHFSA-N 464.978 5.779 30 20 JKED N#CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)cc1 33159861 DOIZHPOZCIUYSO-UHFFFAOYSA-N 450.281 5.112 30 20 JKED Cc1sc2ncnc(SCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2c1C 68734846 VMMIYIHVNGLOBV-UHFFFAOYSA-N 474.611 5.684 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1ccccc1F 216283197 ONZSTUVDPODTMZ-MRXNPFEDSA-N 466.582 5.618 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 303234332 YVHKFSFYPQZRFV-DEOSSOPVSA-N 499.567 6.022 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)CC2)c1 409481147 ZZGZJTQBLJDLDG-SANMLTNESA-N 491.595 5.232 30 20 JKED CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc2c(c1)OCO2 476496248 YAKXAEYWMPBMMX-UHFFFAOYSA-N 457.530 5.160 30 20 JKED CC(=O)CCc1ccc(OCCC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 476621329 AHDSKTQPMZCUON-UHFFFAOYSA-N 458.533 5.530 30 20 JKED CCOc1ccccc1[C@H](CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)NC(C)=O 476874973 SDFZLOJDPFHQSL-VWLOTQADSA-N 473.548 5.205 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 483368676 CBXDTQYHBOEIFM-XMMPIXPASA-N 487.550 5.159 30 20 JKED C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c2)C1 499177166 QJRDDHATCRGAIB-AUSIDOKSSA-N 454.592 5.112 30 20 JKED CSc1ccc(NC(=O)Cn2cc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cn2)cc1 501096737 XENDVRXKWNXMRP-UHFFFAOYSA-N 483.553 5.160 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c1 501907040 HJEGUIOKXCROOZ-UHFFFAOYSA-N 460.961 5.269 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509853330 LXLPGBUMDURTMG-UHFFFAOYSA-N 467.529 5.034 30 20 JKED Cc1nc(C(=O)N(C)C)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 511765765 WEWAOZVWUXZARG-OAHLLOKOSA-N 459.358 5.012 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CSCc1ccc(C#N)cc1)CC2 513830813 DXDASRGTJVIYRU-VWLOTQADSA-N 464.612 5.044 30 20 JKED C=CCn1c(SCCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1cccc(C)c1 515340962 FBMNZSUDWBVXFQ-XMMPIXPASA-N 474.655 5.889 30 20 JKED Cc1nc(CSc2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cs1 515540385 OTGZJWRQJYPPEH-INIZCTEOSA-N 454.527 5.979 30 20 JKED CN(Cc1ccc(OC(F)F)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515962425 BQZRHONPSVGGES-UHFFFAOYSA-N 485.874 5.202 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cc(Br)cn4)cc3)n2)cc1 516270397 WMKVTSNDIYMIPR-LJQANCHMSA-N 479.359 5.257 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)n1 516347131 ZGJAQZQMDKBNSA-CYBMUJFWSA-N 491.953 5.225 30 20 JKED Cc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2ccc(F)cc2Cl)cc1 518642380 KHEQMHKHJFJIBH-XMMPIXPASA-N 484.980 5.384 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 518748606 FMEGMCVDMZUUOX-UHFFFAOYSA-N 478.577 6.747 30 20 JKED COc1ccc(CN2CCC(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 520137647 CCKFOEARSMKRGL-UHFFFAOYSA-N 498.627 5.374 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 520939476 YCDNMBLKHUJUOM-OAHLLOKOSA-N 454.983 6.287 30 20 JKED Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccccc1Sc1ccccc1C#N 522438585 BREWOBIRJUZWME-UHFFFAOYSA-N 494.414 5.539 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc(F)cc(Br)c2)cc1 523201883 VJXMTBRRQPCVRT-UHFFFAOYSA-N 470.317 5.511 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)c1 523380632 ULTVMSBTPIWWDW-RNCAPKPVSA-N 481.596 5.934 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3ccccc3Br)cc2Cl)c1 524379389 BKOVUJYNFKOPJC-UHFFFAOYSA-N 477.767 5.354 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1OC(F)F 524424781 KKWBCGQUEXCDHP-OAHLLOKOSA-N 499.901 5.208 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccccc1 551742411 STJHDJZNKKMFMB-DEOSSOPVSA-N 475.976 5.633 30 20 JKED Cc1nn(-c2ccccc2)cc1CCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 558757960 DNXMCXXDFIHXGX-UHFFFAOYSA-N 481.575 5.536 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)o2)cc1 590388786 TYXJRMKYHIWXSL-QGZVFWFLSA-N 461.449 5.622 30 20 JKED Cc1cc(NC(=O)CCc2c(C)nn(CCC#N)c2C)n(-c2cc(C(F)(F)F)ccc2Cl)n1 603588406 WQEKXGSSOHUXQM-UHFFFAOYSA-N 478.906 5.151 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 603739820 HYNJVUKGAJBFPG-UHFFFAOYSA-N 457.921 5.383 30 20 JKED COc1cccc(SCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 603757724 JMCXZTZOSZEYTL-UHFFFAOYSA-N 463.506 5.364 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)c3cccs3)cn2)cc1 604143394 VVKSPYHEUGBXEG-QHCPKHFHSA-N 488.956 5.305 30 20 JKED CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609082321 IQSJLWWZWSFCJQ-HXUWFJFHSA-N 471.504 5.141 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)cc1C 609172215 SLIVPBRSZNEWEZ-UHFFFAOYSA-N 474.568 5.887 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)O[C@H](C)C2 609356085 VXZGYNCPPMCDRR-HNKPZJSLSA-N 470.529 5.145 30 20 JKED COc1ccc(Cn2ncc3cc(C(=O)Nc4ccccc4SC[C@@H](C)C#N)cnc32)c(OC)c1 609376560 CPDRUWYDPJLKSM-KRWDZBQOSA-N 487.585 5.001 30 20 JKED COc1ccc([C@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)N2CCCCC2)cc1 609398808 SXVVMUMLRQLQBU-XXBNENTESA-N 452.624 5.296 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3cccc(COCc4ccccc4)c3)cc2)c1 609436743 UXINBERHGJAWBT-UHFFFAOYSA-N 491.547 5.322 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609438754 SCGVBKOAGDYKGJ-KRWDZBQOSA-N 482.565 5.598 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1nc2ccccc2o1 614439685 DDQDGMOZAXSZRU-IBGZPJMESA-N 474.314 5.262 30 20 JKED N#C[C@H](C(=O)c1cc2cc(Br)cc(Br)c2o1)c1ccc2ccccc2n1 622650268 HLUVHPKNTUVHPO-AWEZNQCLSA-N 470.120 5.996 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc(-c3ccco3)nc21 642282355 HJAJQHOWIWDEAR-OAHLLOKOSA-N 460.444 5.507 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(COC(C)(C)C)c2)c1 726106378 MPLRCGYFNXAFHG-QHCPKHFHSA-N 497.636 5.250 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2ccc(Cl)cc2)cn1 726111785 MBZHJXSQWOUQMU-JOCHJYFZSA-N 496.036 5.068 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)c1 726413619 UNDDUWWFCMCXRJ-OAQYLSRUSA-N 485.531 5.590 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CCc3ccccn3)C2=O)cc1 726422274 WBNREPQONAXHRX-HRQGHCQOSA-N 478.643 5.084 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc3c(c2)CCO3)cc1 726570759 KWIQFTWAMWEIHV-UHFFFAOYSA-O 491.036 6.055 30 20 JKED CCOc1cc(/C=C/C(=O)c2sc(-c3ccc(OC)cc3)nc2C)ccc1O[C@H](C)C(=O)N(C)C 727973946 CGUOVXISEAUYET-ODHXBGJQSA-N 494.613 5.277 30 20 JKED C=CCOc1ccccc1CN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1ccc2c(c1)OCO2 728115606 NRPLEWYIDWWUEJ-SANMLTNESA-N 496.563 5.478 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1Cl 728236375 ICZQAWWLOVVAOQ-UPVQGACJSA-N 459.933 5.518 30 20 JKED COC(=O)CSCc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1 728437872 KXCGEFGLGSHYHP-UHFFFAOYSA-N 473.186 5.074 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc3c(c2)CCCC3)c1 729667981 ZDGPQQBWHJHNNL-UHFFFAOYSA-O 485.585 5.437 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730716381 WMCKZIYPLDCGEY-QFIPXVFZSA-N 490.972 5.642 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)cc1 730720993 XXUWZHPUFCWDMY-FQEVSTJZSA-N 468.966 5.051 30 20 JKED C#CCOc1cccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)c1 731040915 QDZRZWWKAHSRFR-QFIPXVFZSA-N 480.318 5.161 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 731078703 PNYQSGCWTOFSSR-KRWDZBQOSA-N 489.528 5.537 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCOc3ccc(Br)cc3)n2)cc1 731289243 QJTVCZMXTVDJLY-FQEVSTJZSA-N 480.387 5.870 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)cc1F 731308711 MKZUKGJBVJLEOD-KSFYIVLOSA-N 481.549 5.024 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1-c1ccc(F)cc1 731331671 OMZVLZXOMPKHER-UHFFFAOYSA-N 459.502 5.327 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 731332559 OKONLLUXTRPBDQ-HNNXBMFYSA-N 466.028 5.015 30 20 JKED CN(c1ccc(CNC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1)C1CCCCC1 743414520 QDCMOGLZFNJVJS-UHFFFAOYSA-N 496.611 5.161 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cscn3)C2=O)cc1 747602794 NIKNDPZNQQFBNO-QHCPKHFHSA-N 486.622 5.765 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)SC2=Nc2ccccc2F)n1 748035741 IFKPBCZEYCLVJO-JOCHJYFZSA-N 492.576 5.007 30 20 JKED COc1cc(/C=C/C(=O)N[C@@H](C#N)c2cccc(Br)c2)ccc1OCc1c(C)noc1C 749373966 QJUJNRLKGUTVON-DJGBTNNQSA-N 496.361 5.036 30 20 JKED N#CCCN(C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1cccc(Cl)c1 773997883 HLOZDOSRBGLCMT-UHFFFAOYSA-N 465.918 5.313 30 20 JKED CC(C)n1ncc2c(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cc(-c3ccco3)nc21 809255855 MKZVZSRUYZMQNJ-UHFFFAOYSA-N 481.512 5.180 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1Sc1ccccc1C#N 825326102 OJOZHTFZVNIZBJ-HXUWFJFHSA-N 496.592 5.696 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@H](C)c3cccnc3)C2=O)cc1 837302124 UUPSLLDYGLSIAU-UZUQRXQVSA-N 492.576 5.341 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCN(C3CC3)CC2)c1 838278559 CUIPOOHOHPYCQK-RUZDIDTESA-N 490.673 5.145 30 20 JKED Cc1cc(S[C@H](C)C(=O)OCc2csc(-c3ccccn3)n2)n2c(nc3ccccc32)c1C#N 841673595 WOLAWGVEUIUHTE-MRXNPFEDSA-N 485.594 5.410 30 20 JKED CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2SCC#N)c2c[nH]c3ccccc23)cc1 901851131 RVKANDQKMGNEFQ-HSZRJFAPSA-N 454.599 5.411 30 20 JKED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2c(Cl)cccc2Cl)no1 904310139 MYFOPFVDDOYQPT-HNNXBMFYSA-N 465.362 5.013 30 20 JKED N#CC(CCOC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)(c1ccccc1)c1ccccc1 914900884 NNXRPFGNGFAPFA-QHCPKHFHSA-N 458.583 5.186 30 20 JKED CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 915050783 CFYHMNUINCCROG-UHFFFAOYSA-N 451.534 5.054 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 915086637 LYYAQKOEXMMUDE-AREMUKBSSA-N 473.598 5.159 30 20 JKED N#C[C@@H](C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1nc(-c2ccccc2)cs1 915102132 NLINEQREZNZKSO-HNNXBMFYSA-N 474.592 5.186 30 20 JKED COc1cc(CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C2CC2)ccc1OC(F)F 915684085 ZRDIVZXNRYARLG-HSZRJFAPSA-N 477.511 6.149 30 20 JKED CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916137484 YFGKRAIMVUPJKI-VQHVLOKHSA-N 491.496 5.344 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)cc2)cc1 916215829 ZLLBKVMJJBQWKA-HSZRJFAPSA-N 477.561 5.303 30 20 JKED CCCCOc1cc(C=Nn2c(S)nnc2-c2ccccc2Br)ccc1OC 916346268 QSVWICWBQPPKCW-UHFFFAOYSA-N 461.385 5.066 30 20 JKED N#C[C@@H](C(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ccccc1Oc1ccccc1 916906044 AZITVICYXFPBKG-QHCPKHFHSA-N 460.489 6.268 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 916906927 FUJLVIUSPVZYHF-QFIPXVFZSA-N 495.560 5.432 30 20 JKED Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)c2ccccc2)n1 917254833 ZYZDFNFWOAUSAC-PXNSSMCTSA-N 459.600 5.288 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(-c3ccccc3F)s2)cs1 917560590 RYJSBBUTPNYOEY-FLIBITNWSA-N 482.989 7.245 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\S/C(=N/C3CCCCC3)NC2=O)cs1 917564137 XRISUUNRBGNSKS-WQRHYEAKSA-N 461.012 5.374 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)c(OC)c1 917678293 RINGVJLEEPBSKY-NRFANRHFSA-N 499.589 5.065 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1cccc(Cl)c1 917700693 REOONWPDSSCSSM-HSZRJFAPSA-N 489.000 5.050 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC2CCC2)C1=O 917704557 MBXTYYYRPOOUCS-QHCPKHFHSA-N 476.602 5.107 30 20 JKED CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(Cl)cc1Cl 917728221 PQSVUAPJTBDJHD-OAHLLOKOSA-N 498.432 5.395 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)cc1 917797521 CQCOBPJLACZREM-LEAFIULHSA-N 497.595 5.042 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 919692440 LFQDLWQUVRCCSN-RBNVVWFDSA-N 451.954 5.056 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CSCC(=O)Nc2cccc(Br)c2)cc1 919746119 HHIJIXDSXJIWKW-JOCHJYFZSA-N 494.414 5.415 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 919915604 QUKRSHQULORWRW-XMMPIXPASA-N 457.530 5.578 30 20 JKED Cc1cc(Br)ccc1SCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 920141050 LWSLPQWBQKZCQN-QGZVFWFLSA-N 468.401 5.721 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 920142672 VQYGITJEPDVHEJ-CJISVDGZSA-N 491.416 6.609 30 20 JKED Cc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cc(O)ccc2C)c(C)c1 920484819 VWYVQJKCKCKSAS-UHFFFAOYSA-O 490.649 5.725 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)NC2CCN(Cc3ccccc3)CC2)cc1 920994011 KNADVTTVJNWGAZ-UHFFFAOYSA-N 472.633 5.239 30 20 JKED C=CCCO[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 921164934 BGKSTIAOMXNCJQ-SFHVURJKSA-N 492.041 5.051 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)COCC(F)(F)F)cc1 921255373 ZYJZWALQZVDJSO-KXBFYZLASA-N 497.514 5.062 30 20 JKED COc1ccc(OCc2ccccn2)c(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 921255504 UKPXRPNDPGGKQH-UHFFFAOYSA-N 486.384 5.405 30 20 JKED CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1521901649 LLLKLAYGAULFRO-UHFFFAOYSA-N 458.905 5.315 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](c1ccccc1)[C@@H](C)CC)C2 1779510740 RYSROFFTRFZBHG-DBBYKEMSSA-N 468.682 5.323 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CCC1 1785791791 IZRIAMUYEJUAGK-UHFFFAOYSA-N 498.970 5.520 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1786372499 XIMXJUKTVJQPEX-GOSISDBHSA-N 461.587 5.149 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)[C@H](S)C(C)C)cc4)CCC3)cc2c1 1786393867 NKRLLWMKMPJSEF-JOCHJYFZSA-N 452.576 5.144 30 20 JKED Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)nc1 1787482585 BTRZQXSUNFZBTC-UHFFFAOYSA-N 468.557 5.110 30 20 JKED Cc1[nH]ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1788807855 UHLQOHPFHCBPPP-UHFFFAOYSA-N 456.546 5.044 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789198795 CHHFIYMUJSKPDC-JOCHJYFZSA-N 495.664 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(n3C)-c3ncccc3OC4)CCC2)cc1 1789451856 USJHSEDGYAJUGD-HSZRJFAPSA-N 496.611 5.496 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CNc4ccccc4O3)cc2)CCC1 1789472543 ORLAMKAKVHMPAU-JOCHJYFZSA-N 461.606 5.376 30 20 JKED CC(C)n1nccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1789800535 CIQWHNQGDSCCPV-UHFFFAOYSA-N 461.953 5.051 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)(C)C)cc3)CCC2)cc1 1790568362 XFKUQQXYODKYAD-LJQANCHMSA-N 465.594 5.413 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4[C@H]5Sc6ccccc6[C@@H]54)CCC3)cc2)cc1 1790706489 HGDGMFCVTYDYPK-ZNZIZOMTSA-N 479.605 5.388 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4onc5ccccc45)cc3)CCC2)c1Cl 1790904818 XAMOTOBFQJEVOM-UHFFFAOYSA-N 470.916 5.414 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1 1791584342 ZCXXKDSVRXLVKH-UHFFFAOYSA-N 465.553 5.112 30 20 JKED COc1ccc(F)cc1C(=O)Nc1ccc(C2(NC(=O)CCc3cccc(C#N)c3)CCC2)cc1 1792106532 WTKGERAJISTCPY-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nc[nH]c45)CCC3)cc2)c1 1792123987 XEKIHLFVCIBKDT-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccoc3Cl)CCC2)cc1 1792337490 SZVBSKWGURRZCU-AKJBCIBTSA-N 499.995 5.150 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1)c1ccccc1 1800740414 SRCANXIDQRBYRP-KIHHCIJBSA-N 483.534 5.269 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)[C@H]1c1cccnc1 1802493366 XKZFUCGLBDKEBK-YKSBVNFPSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2F)[C@H]1c1cccnc1 1802707256 NHIWUCLIBXEEQI-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1803083372 BTFOKCZJVPMCRE-NAKRPHOHSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@@H]1c1cccnc1 1803091890 SHXCWRVXCNJTCY-FDDCHVKYSA-N 490.406 5.616 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2cccc(C)c2)[C@H]1c1cccnc1 1807846158 UQAFCFQYJRRNMF-LITSAYRRSA-N 494.639 5.540 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2F)[C@H]1c1cccnc1)c1ccccc1 1810446652 FTLKQQDVLWGHFI-WWDWLDGVSA-N 497.614 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1810500492 QZUWPBOZLKOPLT-XUZZJYLKSA-N 476.646 5.312 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@@H]1c1cccnc1 1810602134 NWNZHBQWMJCPRG-VGSWGCGISA-N 475.967 5.325 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3cc4ccccc4c(Cl)c3OC)[C@H]2c2cccnc2)C1 1811438142 GVRAKUHPZPQLFG-CJFMBICVSA-N 490.003 5.183 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3c(F)cccc3Cl)[C@H]2c2cccnc2)c1 1813868642 PGOIVVSSBQHZNX-SAQVGAHLSA-N 490.966 5.135 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)[nH]n1 1814441850 SWODKRNKJHFCQX-IBGZPJMESA-N 474.005 5.155 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCCC[C@H]3c3cc(NC(=O)Cc4ccc(C#N)cc4)n[nH]3)c[nH]c2c1 1814500755 SZKLRYBJZUNNIP-QSWPLXARSA-N 492.583 5.019 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3c(F)c(F)ccc3c2)[nH]n1 1814828457 MTMBVFKXZSLAAO-OAQYLSRUSA-N 479.531 5.310 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccc(Cl)cc1 1814938493 RGTAQFOGSPNOSP-ABDBYYMNSA-N 496.011 5.207 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4cccc(F)c4)CC3)n[nH]2)c1 1815621859 YESPDLVZLUXMGY-UUOWRZLLSA-N 485.563 5.214 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)ccn1 1816106443 KRJXTCMOJNVECW-FQEVSTJZSA-N 490.995 5.247 30 20 JKED Cc1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 1816391533 XXIXQAAMCNYPJE-HHHXNRCGSA-N 489.579 5.133 30 20 JKED C=CCC(CC=C)C(=O)N[C@H]1CCc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2C1 1817352092 JXTXRQQODFVESP-IBGZPJMESA-N 476.602 5.101 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)c1 1817590175 OTALOSRDIURCJK-NIYFSFCBSA-N 494.599 5.457 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)[nH]n1 1819309392 UFVNIEKBCOQWKF-UZLBHIALSA-N 451.596 5.335 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(-c3ccccc3)cn3ccccc23)n[nH]1 1820150425 KTQCIJUXTOJOMY-RUZDIDTESA-N 493.611 5.829 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)n[nH]2)CCC1 1820173020 USYGWFLEAFYUDG-OAHLLOKOSA-N 497.880 5.221 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(-c3cnccn3)c2)n[nH]1 1820215604 MIDWDLLYUISZTN-HSZRJFAPSA-N 472.593 5.165 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2NC(=O)OC(C)(C)C)n[nH]1 1821156509 VYCPDUVBNOAFHJ-UWJYYQICSA-N 481.597 5.275 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(C(F)(F)F)o1 1823210372 BBTNFPIZBLRLLC-VLIAUNLRSA-N 499.493 5.577 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4c3OC(C)(C)C4)[nH]n2)c1 1823212188 LVTJMLLCNRUTFK-HOYKHHGWSA-N 497.599 5.370 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(F)c(Cl)c2)n[nH]1 1823277224 RBZNOIHPOBIMDF-BEFAXECRSA-N 462.928 5.416 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@]3(C)CC=CCC3)[nH]n2)cc1C#N 1823294358 MLWSZRYZLSYKTN-AMGIVPHBSA-N 475.593 5.121 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc3ncccc23)CC1 1823750615 CKJLVEVRUNIFCU-SANMLTNESA-N 461.650 5.389 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)CC1 1823849310 WUFXWFFBPAKUSK-QHCPKHFHSA-N 491.717 5.244 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)CC2)c1 1824922428 IHUMMUNZZCOTSZ-ZBLYBZFDSA-N 487.619 5.418 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)s2)CC1 1825854829 WXCFUJYZYWMZML-HXUWFJFHSA-N 479.162 5.686 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1825950401 OEFOMHUSNSJLTK-NELJVSICSA-N 496.673 5.619 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCOc3ccccc3)CC2)c1 1826365611 SZAPBFRGFQYNBQ-AJTFRIOCSA-N 473.617 5.016 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)CC2CCOCC2)CC1 1826735812 CUYFWNKJWZZBTJ-PMERELPUSA-N 498.667 5.136 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826781451 OUXOVQNGMDLKAO-KEYUVNQYSA-N 489.704 5.753 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1 1827278235 BLXFAXVSMUCQNI-QFIPXVFZSA-N 451.611 5.362 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)CC1 1828167198 ZQGGFNLRLKOFKZ-JPYJTQIMSA-N 454.014 5.334 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828580761 LIULILRFYGPTTM-BKMJKUGQSA-N 463.622 5.178 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828744483 HJAGOHHOIYDGGA-HSZRJFAPSA-N 454.014 5.248 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2Cl)CC1)c1ccccc1 1829030598 VCTQEDMHXVAWOP-ZCYQVOJMSA-N 478.036 5.166 30 20 JKED Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1 1829689528 IDOCDYATYHJCHZ-HSZRJFAPSA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 1830014708 CBNOAONJJUBQME-VWLOTQADSA-N 484.625 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)CC1 1830114691 IMCITLBTRUHJJW-JOCHJYFZSA-N 461.046 5.574 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1830410028 CUUDSGWRDIUHHP-HFZDXXHNSA-N 478.637 5.024 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc2c[nH]nc12 1830873818 LMGLBRWDXQFASE-FQRUVTKNSA-N 483.616 5.046 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)CC1 1831695596 DAQVSOZKYPXLPA-ROSOWXQZSA-N 465.638 5.017 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2cccc(Br)c2)CC1 1831854481 DXTNSHQWUGFHRF-GBXCKJPGSA-N 487.482 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)c1 1832632691 BAOVIPIXDRTQSH-UUOWRZLLSA-N 474.630 5.404 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(Br)cccc3c2)CC1 1832826386 NWMUULIPBLWFOX-XMMPIXPASA-N 481.434 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1835679396 HXGOQBSONVMJPD-LBNPDIFZSA-N 479.709 5.156 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(C)cc4)CCCCC3)CC2)CC1 1838750305 AWIFZCRRADKXBL-DEOSSOPVSA-N 480.693 5.408 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)c(C)c1 10168606 NBXDXEHHEXHEGA-UHFFFAOYSA-O 451.562 5.799 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc(Cl)c2)cc1 10830843 STWHUOGATBBDOK-UHFFFAOYSA-O 459.969 6.254 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)Nc1ccccc1C#N 11019008 YBKKJSMZTSDOLK-HNNXBMFYSA-N 460.946 5.030 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 11077978 LRKHTHBRUKUYCX-UHFFFAOYSA-O 478.490 6.963 30 20 JKED CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)cc2)cc1 22353982 HKEJCUQWUAZDTO-UHFFFAOYSA-N 476.916 5.036 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 22521049 UBDOJMRRFXBFTA-LSDHHAIUSA-N 491.444 5.805 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22730985 JTSXUCZRGQWLFY-UHFFFAOYSA-O 465.642 6.487 30 20 JKED C=CCn1c(SCc2cc(=O)n3cccc(C)c3n2)nc2sc(-c3ccccc3)c(C)c2c1=O 25638570 ZAMGDRMYMWATGY-UHFFFAOYSA-N 486.622 5.228 30 20 JKED C[C@H]1CN(Cc2csc(/N=C(\O)COc3ccc4ccccc4c3Br)n2)C[C@H](C)O1 29781821 FZUFPLVJDSOJRF-GJZGRUSLSA-N 490.423 5.335 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 32252943 GBEANSSREYFDNH-UHFFFAOYSA-N 485.590 5.763 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(N(C(C)=O)c2ccccc2OC)n1 32787079 XRRSRCLIEJKNLA-UHFFFAOYSA-N 491.642 5.497 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 32981984 MELIRAMJRHJRHQ-QGZVFWFLSA-N 486.391 5.072 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 97542507 RUTRNGXLOPCWHT-UHFFFAOYSA-N 459.590 5.249 30 20 JKED CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 105441847 QIPVDWIXWLZYDZ-UHFFFAOYSA-N 458.280 5.954 30 20 JKED Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)cc2F)n1 195682816 AYSNAMARVLEZSD-UHFFFAOYSA-N 499.571 5.483 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)cc1 302971848 RFVYSQDOFYWWDJ-UHFFFAOYSA-N 462.513 5.188 30 20 JKED CN(CCCCc1ccccc1)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 303024734 MMQTYEVFEYIBBP-UHFFFAOYSA-N 457.599 5.384 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c12 303419181 XTZGDCGQXMHTSP-SFHVURJKSA-N 456.377 5.674 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(C(=O)N[C@@H](C)CC)c1 409506923 JVEKZQGFODRJEY-INIZCTEOSA-N 476.390 5.014 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 485380560 GTKSHBPSWMEEJL-MRXNPFEDSA-N 467.447 5.527 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2CCN(Cc3cccs3)CC2)cc1Cl 490691298 JVFPEFDAJFUPHL-XMMPIXPASA-N 479.049 6.091 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1 491723098 WCZKHJICMQUQQE-XMMPIXPASA-N 454.574 5.345 30 20 JKED Cc1ccccc1-c1nnc(SCC(=O)N(CCC#N)c2cccc(C)c2C)n1Cc1ccco1 501506755 UDJNEQCXZHYZBT-UHFFFAOYSA-N 485.613 5.551 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 501763863 PPYGNXJFHHPQRW-UHFFFAOYSA-N 476.321 5.315 30 20 JKED C=CCN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502961815 POCQLASUNVYJKV-UZLBHIALSA-N 468.431 5.090 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1nnn(-c2ccccc2F)c1C(F)(F)F 508915183 DZCLSCQDXLKCBJ-UHFFFAOYSA-N 452.717 5.350 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 509845590 CVCDKUCVEBCAQE-UHFFFAOYSA-N 493.489 5.183 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N(Cc3cccs3)C[C@H]3CCCO3)c2)cc1 509890211 JTCKREVKUZVCIK-XMMPIXPASA-N 461.587 5.606 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(COc4ccccc4)CC3)c2)cc1 510606469 BVCGBIWMQWPVLT-UHFFFAOYSA-N 455.558 5.655 30 20 JKED Cc1ccc(C)c(OC2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC2)c1 510645497 MHMMSIPNGQOLEI-UHFFFAOYSA-N 468.557 5.503 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2cccc3ccccc23)cc1 511382537 KSLXNPQTYSHONR-UHFFFAOYSA-N 451.526 5.685 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc(CN4CCCCC4)cc3)c2)c1 511437309 FKHJYRKJOGOZIG-UHFFFAOYSA-N 467.573 5.118 30 20 JKED CCN(CC)[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1cccc(OC)c1 511460910 UCYUARDGORCCLN-SANMLTNESA-N 485.588 5.024 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OC(C)C 511512887 MQRKHCJRNLQBIV-SFHVURJKSA-N 472.545 5.489 30 20 JKED CCOc1cc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OC(F)F 511528535 HZJIVXBCKRZFTP-UHFFFAOYSA-N 480.471 5.132 30 20 JKED CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 511779948 HCNYRVQBYPXEPX-NDEPHWFRSA-N 481.596 5.270 30 20 JKED COc1ccc(CSc2nnc(SCC(=O)N(CCC#N)c3cccc(C)c3C)s2)cc1 515425784 RMKIKIZRIWMHCD-UHFFFAOYSA-N 484.672 5.495 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 516477655 LJMFDJSDQBVCLU-UNMCSNQZSA-N 466.006 5.899 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3c3ccccc3)c2)cc1 517844023 FYNRKDDZMLAESV-KAYWLYCHSA-N 467.569 5.113 30 20 JKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 517963962 GPYWARRESAATJB-UHFFFAOYSA-N 476.580 6.443 30 20 JKED CCOc1cc(Br)c(CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1OCC 518139909 DNVHUARSDSBDCQ-OAHLLOKOSA-N 477.424 5.679 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 518140908 HXIWTKQKKZVZFS-QGZVFWFLSA-N 457.555 5.106 30 20 JKED C=CCN(C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 518258890 AWSOJLCHJJTGKF-YADHBBJMSA-N 482.588 5.892 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(OCc4cn5ccccc5n4)c3)n2)cc1 518516443 DARGEJQVLSLSJW-QHCPKHFHSA-N 475.533 5.399 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 520473767 ZJDMRRJDPQOALO-UHFFFAOYSA-N 455.301 5.418 30 20 JKED C=CCN(C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1)c1nc2c(s1)CCCC2 520692098 RGQISEITCFKSQP-UHFFFAOYSA-N 488.407 5.493 30 20 JKED C=CCN(C(=O)c1csc(-c2ccoc2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 520796356 CPFIDXIXYPZYPX-UHFFFAOYSA-N 462.383 6.666 30 20 JKED COc1cc(Br)c(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC 524167003 IWEHDWBTCYUWFH-UHFFFAOYSA-N 482.334 5.452 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)cc2F)c1 524461411 XXDYRDPTZCANNS-UHFFFAOYSA-N 490.512 5.096 30 20 JKED C=CCc1cc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cc(OC)c1OC 589974206 CGGYDKXPVWVJCX-UHFFFAOYSA-N 479.886 5.757 30 20 JKED O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F 590792159 KFSVGZMBACDEFJ-HTQZYQBOSA-N 461.321 5.032 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)NC1(C#N)CCCCC1 591602984 RTQMLMQUZOFHOV-HNNXBMFYSA-N 452.605 5.028 30 20 JKED N#Cc1c(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)sc2c1CCCC2 600840927 BWRRCVHUIVZDDY-UHFFFAOYSA-N 492.651 5.748 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 603465234 NSBFDANTFQCCMY-UHFFFAOYSA-N 477.611 5.136 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)CC1 603659676 ZXFCKITYJNTVHZ-UHFFFAOYSA-N 496.434 5.112 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 603738498 KFNZAVGOPXZYQZ-GOSISDBHSA-N 460.559 5.061 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c12 603763818 HJCKERNNSAQOQE-UHFFFAOYSA-N 465.444 5.649 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 604003126 CXTLXWIWBZUDST-VWLOTQADSA-N 461.949 5.191 30 20 JKED C[C@@H](Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1[N+](=O)[O-])c1ccccn1 604335870 AJKSJLXEFIFPHF-QGZVFWFLSA-N 480.484 5.474 30 20 JKED CCOC(=O)c1sc(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 604394766 XMLYMDXIYACICK-CYBMUJFWSA-N 490.006 5.674 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(-c3csnn3)cc2)c1 604439892 OKLJJGZQYGOKDX-UHFFFAOYSA-N 471.567 5.060 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 604461642 SLJOQMUZDPCUSQ-IBGZPJMESA-N 462.500 5.585 30 20 JKED COc1ccccc1CC1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 608841247 MFTYMFKZOIRDRE-UHFFFAOYSA-N 479.631 5.197 30 20 JKED CCc1c(C)sc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)c1C#N 609032630 XBXOYIVCQNUUMZ-UHFFFAOYSA-N 487.585 5.507 30 20 JKED Cc1ccccc1-n1ncc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1C(F)(F)F 642161568 OANRFMFMTYKAGC-RYUDHWBXSA-N 487.366 5.839 30 20 JKED O=C(Cc1csc(NC(=O)c2ccccc2F)n1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642545728 GWXCLBJTLRWAJQ-GHMZBOCLSA-N 497.436 5.103 30 20 JKED CCOc1ccc(Oc2c(C=Nn3cnnc3-c3ccccc3)c(C)nn2-c2ccccc2)cc1 725856065 KWMWDUPTRSJIQM-UHFFFAOYSA-N 464.529 5.512 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 726392491 HBHCBXLLLDGLLW-HNAYVOBHSA-N 493.601 5.387 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 726411153 LHQVILZGSSJLCH-HJPURHCSSA-N 490.535 5.063 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@@H](C)c1cccs1 726418872 FZHKBFPMBYOMJI-PJTSVVBSSA-N 480.055 5.136 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@@H](C)c3ccccn3)C2=O)c1 726422313 VFEUOCSTYDXKMR-SUNUFWRDSA-N 494.642 5.303 30 20 JKED N#Cc1ccc(NC(=S)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cc1Cl 726482461 GBBDHAIXDZWTGB-UHFFFAOYSA-N 481.408 6.153 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1OC 726509501 PZSDVFCIYUIKAZ-XYOKQWHBSA-N 450.535 5.210 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565310 AQCREVHDHRBAMQ-UHFFFAOYSA-N 479.552 5.710 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCO3)[n+]2ccc(C(C)(C)C)cc2)c1 726572465 GTJHNRREHSAZAI-UHFFFAOYSA-O 455.603 5.511 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C/c1ccccc1Br 727354150 DDKBMGOPCXIRDP-ZRDIBKRKSA-N 470.348 5.229 30 20 JKED N#C[C@@H](C(=O)CCCCc1ccc(I)cc1)c1ccc2ccccc2n1 727952803 QUDIETYAKXPSPA-LJQANCHMSA-N 454.311 5.429 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1F 728780273 PHDJCMACVAMQGG-QHCPKHFHSA-N 492.551 5.772 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2c(C)noc2C)c1 730442995 BGCDYLWFEJDYNY-JOCHJYFZSA-N 497.020 5.456 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2cocn2)C1=O)Nc1ccccc1 730708599 XWQIMBUQYHJXQV-GOSISDBHSA-N 488.541 5.150 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O)Nc1ccc(SC(F)F)cc1 730714793 XFJQWRUYFCQTNL-SFHVURJKSA-N 488.541 5.150 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(Br)cc1Cl 731073122 AXANUZRQMLLCPH-GFCCVEGCSA-N 467.772 5.292 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)c(Cl)c1 731307322 HDUWYFQHGANCJY-QKKBWIMNSA-N 498.967 5.301 30 20 JKED C=CCc1cc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cc(OC)c1O 747063272 FRXCNONXJKCNGB-UHFFFAOYSA-N 497.378 6.097 30 20 JKED COc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC 747406096 SKFKDUAUUFZBJS-AJTFRIOCSA-N 469.541 5.007 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cnc(-c3ccccc3Cl)s2)c1C 747953848 WDZXDQYIVCCHGW-UHFFFAOYSA-N 453.951 5.184 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3c(CC)cccc3CC)cs2)cc1 750393065 WMICMMOPFLZTPQ-NRFANRHFSA-N 461.587 5.685 30 20 JKED CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 750686119 DTCRUEVVUPUJOP-LAUBAEHRSA-N 468.985 5.374 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nnc1-c1cccc(C)c1 799012533 GWWYPFJJGFSUIE-HXUWFJFHSA-N 461.635 5.549 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CC(F)(F)F 799212865 LPRXECSFDMCTSH-INIZCTEOSA-N 473.879 5.310 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CC(F)(F)F)c1 837357792 YTHWGMJMTUHRBG-MRXNPFEDSA-N 489.878 5.010 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2C2CCN(C3CC3)CC2)c1 838278560 CUIPOOHOHPYCQK-VWLOTQADSA-N 490.673 5.145 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc2cccc(C(F)(F)F)c2nc1O 883977951 BLCLQNKWMACQAG-NXEZZACHSA-N 474.323 5.599 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(Cl)s2)C1=O 914547628 YPAPURJTZMQEMY-LJQANCHMSA-N 486.018 5.571 30 20 JKED CN(C)Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)c1 914694654 QTGPPGQYNXSXSN-DEOSSOPVSA-N 490.604 5.048 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)N2CCCC2)c1 915353431 UDADWOLJLWRWTQ-KAYWLYCHSA-N 454.574 5.309 30 20 JKED COc1cccc([C@@H](CNC(=O)Nc2cccc(OCC#N)c2)c2c[nH]c3ccccc23)c1OC 915710496 GTTATXUHDRMXLV-HSZRJFAPSA-N 470.529 5.041 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c1 916210413 DGAJCGIHAOANCB-LJQANCHMSA-N 472.408 5.189 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1Br 916211898 GPSZZMAWNNTUHS-KRWDZBQOSA-N 478.799 5.225 30 20 JKED Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)Nc3cccc(OCC#N)c3)cc12 916411389 ZXMVAGNIJAMEMP-UHFFFAOYSA-N 471.369 5.916 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 916901492 JAWHRGFRPLTWLY-JHAQOBCDSA-N 471.262 5.690 30 20 JKED Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916915182 GEUODFOSBZAVHU-LJQANCHMSA-N 484.968 6.163 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)n2)cc1 916972896 RGOLLCFJAOKIEP-DZRGJMJISA-N 477.586 5.025 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)cc1 917517620 JRVJAMABHYGIKU-XFXZXTDPSA-N 461.525 5.143 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CC3)C2=O)cc1 917652966 HIIDWYHVCZCUAC-IBGZPJMESA-N 490.601 5.190 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC1CCC1 917703526 NTRSVMRKLFZXAL-LJQANCHMSA-N 487.412 5.625 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC(C)C)C1=O 917704394 TYSGDYLCYLVAMO-FQEVSTJZSA-N 454.983 5.136 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918545354 OZXFUTMXNFGRBR-PCGXCULLSA-N 482.606 5.251 30 20 JKED Fc1ccccc1Nc1nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=S)s1 918736678 XGNKYSNUTCBLGP-AOOOYVTPSA-N 460.444 5.577 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1 919825747 VJHZVERWMYEAPE-UHFFFAOYSA-N 474.567 5.231 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)cc1 920142785 MISAMIGTUJOUNG-ZEQRLZLVSA-N 481.577 5.036 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc(Br)cc2)cs1 920375526 LRYOWSXLGAQDFG-UHFFFAOYSA-N 483.313 6.055 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(N2CCCC2=O)cc1 920978264 SZGIRSDDMNTFPT-FQEVSTJZSA-N 468.557 5.341 30 20 JKED O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(-c2ccccn2)nc1O 1654658440 MUSGWPAKKYSGQU-UHFFFAOYSA-N 459.321 5.391 30 20 JKED CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)cc1 1786201666 QEHAWCCUXCTQBW-UHFFFAOYSA-N 495.579 5.368 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1786368261 HDSKRMQWSJQMGH-UHFFFAOYSA-N 478.486 5.575 30 20 JKED Cc1ncsc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1787424096 PVCYVARTZXGWGO-UHFFFAOYSA-N 450.951 5.038 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3ccncc3C(F)(F)F)CCC2)cc1 1788649380 FSTBVESLTAHNHD-CMDGGOBGSA-N 499.514 5.349 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ncsc4Br)cc3)CCC2)cc1 1788681810 OCZGIFHWRLCKSF-UHFFFAOYSA-N 495.402 5.033 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cc2)CCC1 1789225159 VJDNZKHUXGBVRZ-UHFFFAOYSA-N 498.446 5.597 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)(F)F)c4)CCC3)cc2)c1 1790073929 DIJZVEPOJSTUHU-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3N(C(=O)OC(C)(C)C)C4)cc2)CCC1 1790419728 VFRPMWZQIBKALD-TYJFDUFHSA-N 495.664 5.368 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CCC2)cc1 1790567469 LTCNGSXZIUPVOU-HNNXBMFYSA-N 479.474 5.393 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC(F)(F)C4)CCC3)cc2)c1 1792122379 PCGWECHQGCAKEI-YLJYHZDGSA-N 451.517 5.497 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792205348 WMBDYTSXVCRSFP-VJBMBRPKSA-N 483.653 5.416 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206917 WMBDYTSXVCRSFP-UEVCKROQSA-N 483.653 5.416 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(C#N)cc1)c1ccc(Cl)cc1 1792482863 PEUKOAUOVIBWQW-SPGPFUFCSA-N 478.036 5.222 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(F)cc3)cc1F)C2 1798339913 HIWFSTIMLZDJIC-KIHHCIJBSA-N 464.556 5.652 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)C2)c1ccc(O)cc1 1802415524 HJJAPIJXGSMZQW-YOOGPDDSSA-N 476.661 5.134 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(NC(=O)CCC)c(C)c3)CC2)C1 1805456209 HRKNXTAZOIWLHO-UHFFFAOYSA-N 479.665 5.347 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)[C@H]1c1cccnc1 1806451231 DGNCCMXYGNYLNX-MKLBEGSSSA-N 459.634 5.111 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1806539665 XPTYXGMEBHDVFW-WIOPSUGQSA-N 485.550 5.117 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@@H]1c1cccnc1 1809625095 KLKVSWPBEABCBX-NYJHCNCPSA-N 463.666 5.462 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc4c(c3)c3ccccc3n4CC)[C@@H]2c2cccnc2)C1 1811427757 HPDGJAZQVTXCHQ-IADCTJSHSA-N 492.623 5.495 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)[C@@H]2c2cccnc2)c1 1811945291 YBVHBCQKIHATAP-FQLPYIGMSA-N 498.602 5.160 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)Cc3ccccc3Cc3ccc(F)cc3)[C@@H]2c2cccnc2)C1 1812929067 TVJNSNRHTMCDRK-YZNIXAGQSA-N 497.614 5.026 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1813869303 BQIDYGAYZAQVCU-ONUYUPGPSA-N 480.612 5.140 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2Br)n[nH]1 1814613996 ZQLGILSRWXEJJL-OXQOHEQNSA-N 489.389 5.386 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814935754 QAVKKKZLOAHKCY-RKOYOZNISA-N 468.001 5.333 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n[nH]1)C(F)(F)F 1815536307 TXAZHPNDXLUMNX-KBOKABMXSA-N 486.416 5.253 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc(OCC(C)C)c2)n[nH]1 1818129577 HHAXHIBUKIAVMG-OAQYLSRUSA-N 467.614 5.138 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4cc[nH]c4c3)n[nH]2)c1 1818489143 BZZNONBBRULWQM-BXKMTCNYSA-N 466.545 5.138 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Br)c4ccccc34)n[nH]2)C1 1818983664 IWSKUEGMKYVKNA-JOCHJYFZSA-N 493.405 5.598 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)[nH]n1 1819303952 URFMSURANUEMCB-IFMALSPDSA-N 473.577 5.447 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)c1 1820223663 OIRQJBMXEQOEGJ-FQEVSTJZSA-N 498.370 5.216 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2coc(Cl)n2)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821150821 ODLBOYRNKVGEFY-QHCPKHFHSA-N 499.958 5.071 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)cc3)[nH]n2)cc1 1821182798 HYNSMNDIFRXWBZ-HHHXNRCGSA-N 489.579 5.762 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)CC1 1821272811 RDEVUXKIWNULJT-QFIPXVFZSA-N 465.573 5.333 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)[nH]n2)c1 1821275306 FZYOWGKIEJMQDB-JOCHJYFZSA-N 490.926 5.175 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)n[nH]1 1821756292 JPAXLEWHCNDVSU-LEAFIULHSA-N 491.680 5.171 30 20 JKED Cc1ccc([C@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)[nH]n2)cc1 1822063142 MPMVUDDAHZCWHP-AHBRUNABSA-N 476.602 5.015 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1822389120 MVPGSJWXTGOFQZ-FQEVSTJZSA-N 464.953 5.433 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2NC(=O)OC(C)(C)C)[nH]n1 1823421134 ONUKAZQHPLWQAK-NRFANRHFSA-N 493.608 5.093 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)CC1 1823668999 QYWOFQQUNFCAIZ-OAQYLSRUSA-N 464.437 5.390 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)cc1 1823685242 OPKGWVPWWPWHSG-RUZDIDTESA-N 499.989 5.356 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1823715155 FJYNBKSEAAMZGW-MLBYCOPISA-N 475.658 5.276 30 20 JKED C=CCCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccncc34)CC2)c(O)n1 1825626605 VVVHSUABJDCIBA-HHHXNRCGSA-N 498.627 5.001 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c(-c3ccccc3)cn3ccccc13)CC2 1826039988 HCXQGDJYHUJDSI-FQEVSTJZSA-N 482.609 5.092 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828507954 KRQSVNBFYQTYIL-XMMPIXPASA-N 481.434 5.249 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1)c1cccs1 1828515955 HHEKNWXYABQUQB-YVSHKSEASA-N 493.604 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OCCC)cc2)CC1 1828827238 KOHFSHSCELFEOL-CLJLJLNGSA-N 452.639 5.477 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1828886894 ZCKOJTOQPITSGR-YADHBBJMSA-N 481.464 5.108 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828906970 RYAJTQMWYVGFRH-SANMLTNESA-N 477.725 5.151 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCc2ccncc2)CC1)c1ccccc1 1829030500 PJWRNIOCENSLOC-VMPREFPWSA-N 485.672 5.221 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829454171 JWIHDECAPHHSMT-OAHLLOKOSA-N 465.393 5.500 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829581494 ASRONRKEJDYRRD-KNQAVFIVSA-N 463.647 5.600 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1)c1ccccc1 1829950140 CVUOLFQZZXSILH-RRPNLBNLSA-N 457.618 5.231 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2F)CC1)c1ccc(O)cc1 1830094328 SBZCWYMUMOWYJG-AMGIVPHBSA-N 494.582 5.101 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3F)CC2)c1 1830537944 TXEONEYXPCALOM-QFIPXVFZSA-N 487.497 5.263 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830720414 KFLZDFPMVUECMV-JOCHJYFZSA-N 485.415 5.116 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3Cl)CC2)cc(C(F)(F)F)c1 1830755849 NJWBCDKALKAKQL-HXUWFJFHSA-N 493.913 5.371 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cc(Cl)ccc3Cl)CC2)C1 1831239029 LWFCRJRELSPPSV-QHCPKHFHSA-N 463.449 5.512 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)CC1 1831446175 FVPREICILVJFGS-JOCHJYFZSA-N 496.558 5.268 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1)c1ccc(O)cc1 1831922320 ZTTQAPKTTMOQOJ-UPVQGACJSA-N 492.582 5.242 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1832027892 FYMIFDJOHSMQQQ-MHZLTWQESA-N 487.644 5.184 30 20 JKED CSc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1O 1832633027 BFLDKIMBSNWOOV-NTKDMRAZSA-N 491.657 5.288 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)nc3F)CC2)c1 1832635244 XXWVLLBVXKGCBU-VGOFRKELSA-N 482.987 5.048 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)cccc1C(F)(F)F 1832704980 UIAFBPRKSNOZME-XMMPIXPASA-N 483.534 5.433 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1832827291 XIHWKGROZOIGEV-DEOSSOPVSA-N 473.642 5.543 30 20 JKED Cc1cc2cccc(C(=O)N3CCC(OC4CCN(C(=O)c5cccc([C@@H](C)C#N)c5)CC4)CC3)c2[nH]1 1838233739 XIQZGHGPIFJCKX-FQEVSTJZSA-N 498.627 5.029 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3c[nH]c4cc(C)ccc34)CC2)CC1 1838375886 WJOLAYYNDKQOIQ-QQOLHMHLSA-N 489.660 5.257 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc4c3oc3ccccc34)C2)c1Cl 1845736449 XPJWTCCVJYTPFX-UHFFFAOYSA-N 469.928 5.242 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2c(-c4ccccc4)cn4ccccc24)C3)c1 1846828235 GAUJZVHSJKYXGR-QFIPXVFZSA-N 488.591 5.364 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1cc(C)cc(C)c1 10172526 KWBVMZHZUWSAEH-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)cc1 10173911 XAJRQOTZENXMNC-UHFFFAOYSA-O 459.635 5.919 30 20 JKED COc1cccc(NCc2nnc(SCc3cc(C#N)ccc3F)n2C2CCCCC2)c1 11539661 RUNBVVCOHWJMDA-UHFFFAOYSA-N 451.571 5.707 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccccc2SCc2csc(C)n2)c1 11596278 HBAZPACUMMSKQR-UHFFFAOYSA-N 479.627 5.464 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(N(C)C)cc1 14871893 OBPHZOZUSLWIEH-UHFFFAOYSA-O 473.449 5.960 30 20 JKED COc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccc(CC#N)cc2)CCC(=O)N1c1ccc(C)cc1 17368430 GQRNLQSASARKRC-IGKIAQTJSA-N 453.542 5.193 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccccc1OC 21673631 IQEIAVZIRWXYGT-LBPRGKRZSA-N 497.835 6.219 30 20 JKED COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)sc2C)cc1 22295784 QQDJBNUGDDBNHF-ZDUSSCGKSA-N 466.584 5.338 30 20 JKED CCn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1cc(-c2ccccc2)nc2ccccc12 22565904 VTOKVOZHVCMOSR-VKGTZQKMSA-N 498.656 5.715 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl 23518876 MNFNSFHDWJJGCW-HNNXBMFYSA-N 492.979 5.114 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2C)nnc1-c1ccc(Br)cc1 24015673 MMIOSNPFCVJHKJ-IAGOWNOFSA-N 485.451 5.560 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(C)c2C)cc1 28793440 UIKNCNJMEYTQJR-UHFFFAOYSA-O 462.639 5.742 30 20 JKED C=CCc1ccc(OCC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)c(OC)c1 29702367 IQULWHLXHUMOQZ-MHZLTWQESA-N 479.598 5.056 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)c2)c1 32290006 SWLIPNVHRDSAEO-JOCHJYFZSA-N 463.946 5.232 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2)cc1 46893626 ILFZKPWZNBSOPX-WIOPSUGQSA-N 471.988 5.795 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)CC2)cc1 105516424 QRCPKKQTERKYBJ-UHFFFAOYSA-N 480.587 5.513 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 106115971 BBRDDSLNNRNZKF-UHFFFAOYSA-N 495.988 5.433 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 107654725 MILLIDDIHMXJMG-NRFANRHFSA-N 473.381 5.451 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cccc(Cl)c2)c1)c1nc2ccccc2n1C(F)F 195652869 KJQZIBJJKOBGEE-IBGZPJMESA-N 451.860 6.154 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)c2)c1 303015073 PPPBVECGUXSEEP-FQEVSTJZSA-N 493.350 5.109 30 20 JKED CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481567965 CXVGJJCZUIENAY-UHFFFAOYSA-N 464.516 5.011 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3cc(Br)ccc3o2)cc1 490650191 PJGNDMGHAIQEFA-UHFFFAOYSA-N 461.315 6.093 30 20 JKED C[C@H](C1CC1)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccc(C(F)(F)F)c1 498383891 CHIAGWOYRSRJDV-MRXNPFEDSA-N 464.509 5.228 30 20 JKED COc1ccc(CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC(F)F 498697992 PANAHRGOKOVJKY-UHFFFAOYSA-N 457.317 5.606 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc(-c2c(F)cccc2F)cs1 499586911 CLTROFVGNXDGFE-GFCCVEGCSA-N 476.386 5.647 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 501134597 NGUGLUPWPKOBEA-DEOSSOPVSA-N 492.373 6.027 30 20 JKED COCCOc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 503082365 AHDQVMFSODTNBO-JPYJTQIMSA-N 493.991 5.912 30 20 JKED CC(C)(C)OC(=O)c1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1 503564440 ZLFHDBUEFICBTQ-INIZCTEOSA-N 477.471 5.062 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cs2)cc1 507058073 LEIONSVRIFSLBU-KRWDZBQOSA-N 490.610 5.678 30 20 JKED CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 510057488 QGXTUVNTVYBCEH-QHCPKHFHSA-N 467.013 5.544 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 510670232 WNXWJCXNVCSPME-UHFFFAOYSA-N 487.947 6.498 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc1 510749769 IVVSHAXTGJYMIH-GOSISDBHSA-N 460.603 5.815 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)cc1 511337080 DJGJSKDOSQLQFI-NRFANRHFSA-N 477.967 6.363 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc(C)nc21 512232690 BMVRSBSSOAASLR-LJQANCHMSA-N 453.546 5.608 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 513659902 HZLXOUBRBFWCTI-IBGZPJMESA-N 474.586 5.285 30 20 JKED C=CCn1c(SC[C@@H](O)Cn2cccn2)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 513956732 ILLOVTNBNSAAGH-NRFANRHFSA-N 482.613 5.004 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)nc2ccccc21 513995030 SHAOQPFBERDGLF-IBGZPJMESA-N 457.456 5.238 30 20 JKED N#Cc1c(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1-c1ccccc1CC2 515626612 SLHDIFXKOCMLJN-UHFFFAOYSA-N 459.615 5.047 30 20 JKED CC(C)N(C)Cc1ccccc1CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 516390991 NZSVBGIJVWMPDU-UHFFFAOYSA-N 486.641 5.059 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1 516539849 UQJWKURWSLLPND-UHFFFAOYSA-N 494.776 6.481 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 516735822 ZSXZHHXOASKMTK-UHFFFAOYSA-N 479.458 5.499 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 520137582 WLUMGUJVTDMHTN-UHFFFAOYSA-N 488.422 5.679 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)c2)cc1 520601107 CXNLSDYOGJAWLX-HSZRJFAPSA-N 451.885 5.748 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 521725925 GBLZVDHRNYNKGU-GFCCVEGCSA-N 478.462 6.067 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1 522431048 QFWCFQCSQNLHCW-UHFFFAOYSA-N 484.506 5.936 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccnc3S[C@H](C)C(=O)N3CCCC3)n2)cc1 523959289 OKQLUYFHIROFHG-XLIONFOSSA-N 476.627 5.107 30 20 JKED C=C(C)COc1cccc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 589740836 CDCUQMZOFKPJQL-UHFFFAOYSA-N 454.880 5.063 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)s2)cc1 603566854 QGAUWDCUTYGBEQ-FQEVSTJZSA-N 485.396 5.156 30 20 JKED N#C[C@H](C(=O)c1ccc(I)cc1)c1nc(-c2ccc(Cl)cc2)cs1 603824482 RLIBVEVCIPQKRF-OAHLLOKOSA-N 464.715 5.558 30 20 JKED COc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1S(=O)(=O)N1CCCCCC1 603968432 QYKFYCDDHROAEQ-UHFFFAOYSA-N 495.626 5.112 30 20 JKED Cc1nc(CN2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)cs1 604089594 GPTFAZWJPJUFLN-UHFFFAOYSA-N 467.982 5.119 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C(C)C)cc1 604137922 CHZIWRSMIZZBLD-NOZRDPDXSA-N 475.976 5.456 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1I 609062429 KQNSULAVJVNXOJ-UHFFFAOYSA-N 468.294 5.303 30 20 JKED COc1cccc(/C=C(/CC(=O)Nc2cc(C#N)ccc2OC(F)F)c2nc3ccccc3s2)c1 609068073 IVWZBHOVZRHMFW-WQRHYEAKSA-N 491.519 6.347 30 20 JKED CCOc1c(Cl)cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC 609079293 UUYBIFRCYBZMKQ-UHFFFAOYSA-N 479.964 5.828 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 609370745 TWSCRNHASCRWHY-ZDUSSCGKSA-N 459.597 5.546 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 609403133 VTQLRIVCIUDBDI-AWEZNQCLSA-N 469.408 5.772 30 20 JKED CCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(Br)cc1 613403482 GMOAUBKCHICUPF-OAHLLOKOSA-N 484.304 5.432 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 619256926 ZUTIADOLZJKMDD-UHFFFAOYSA-N 456.498 5.422 30 20 JKED O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 622584626 GRPAEIXMNMTJRS-IBGZPJMESA-N 475.364 5.034 30 20 JKED Cn1ccnc1[C@@H](NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1cccc(F)c1 642339809 ZVBOXXVERCNDFA-HKUYNNGSSA-N 461.381 5.310 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N(CC)C1CCCCC1 645079431 DERWGKIJGPLEOD-KRWDZBQOSA-N 463.047 5.358 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(C(C)C)cc2)cc1 726570767 LEOBQIXPTFYFAX-UHFFFAOYSA-O 477.053 6.898 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Br)cc2)cc1 726571091 DLCRUMDNEKQPAC-UHFFFAOYSA-O 485.814 5.893 30 20 JKED COc1cc(/C=C2\SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc(Cl)c1OC 726626484 HJLYVCTZPDWWHT-APSNUPSMSA-N 451.356 5.288 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3SC[C@@H]3CC3(Cl)Cl)o2)cc1 727991214 HUAREMACVYYGDT-INIZCTEOSA-N 473.381 6.268 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 728150567 RXQIPJFBTTZDKL-UPVQGACJSA-N 477.486 5.663 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1c(Cl)ccc(C)c1Cl 728429873 LCNSPZGKMFNZSJ-INIZCTEOSA-N 466.390 5.291 30 20 JKED C[C@@H](C#N)Oc1ccc(/C=C(/C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc1 728696318 QOQHCMMBZWGIHB-NIZGNDASSA-N 456.933 5.364 30 20 JKED CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 729562273 SKDBJIFWZILRLN-FQEVSTJZSA-N 450.539 5.214 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C2CCC2)C1=O 730460231 VMRWVXOFMQNHIB-HXUWFJFHSA-N 457.983 5.170 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(C2CCC2)C1=O)Nc1ccccc1Br 730461143 LGUWPPRKAPGXKP-SFHVURJKSA-N 494.361 5.240 30 20 JKED COc1cc(C2(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)CCC2)ccc1C 731078582 UQQVNVQKZCFQSO-GOSISDBHSA-N 452.576 5.002 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743449585 RWQHQGRVFOBHRB-CQSZACIVSA-N 450.734 5.731 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2COc2ccc(C(C)C)cc2)cc(Br)c1O 744806992 FXJVODUPBCECAI-UHFFFAOYSA-N 491.411 5.018 30 20 JKED CCCOc1c(Br)cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1OCC 745626426 PDDKDTKBTNBZEF-CMDGGOBGSA-N 474.351 5.489 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(F)c(Cl)c1 799214053 FRIPATOYOCIXGC-KRWDZBQOSA-N 470.353 5.121 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 837302262 XIJGDUCBHRNQLL-QKKBWIMNSA-N 484.503 5.220 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1ccc(NCc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 864000141 QNKMNQUREYLFDY-RMLRFSFXSA-N 497.020 5.017 30 20 JKED Cc1cc(-c2ccccc2)ccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 914861373 QCPGVXALJBGIKK-UHFFFAOYSA-N 452.514 5.637 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)c1 916209525 MJRSESZFAPYQBX-NRFANRHFSA-N 467.978 5.710 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccn3)C2=O)cc1 916211782 QIUTVSLUHBWZJS-QHCPKHFHSA-N 474.586 5.031 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(CC)cc2)N(C[C@H]2CCCO2)C1=O 916215524 XCZMHLODKLDPFD-ZJSXRUAMSA-N 495.645 5.177 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(C[C@H]2CCCO2)C1=O 916217653 UACBVUXODPBTQR-OFNKIYASSA-N 495.645 5.232 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2ncnc3sc(C)c(C)c23)cs1 916309095 DSMAMZHTCCPVFZ-UHFFFAOYSA-N 490.536 5.914 30 20 JKED CC(=O)C1=C(c2ccc(Br)cc2)N(c2cccc(C)c2)C(=S)N[C@H]1c1csnn1 916723088 GHVPGTDSMKIDPE-IBGZPJMESA-N 485.432 5.045 30 20 JKED COc1cc(/C=C\C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1OCc1c(C)noc1C 916849063 OHIREVGAMLBESQ-PRUHCIRGSA-N 453.498 5.317 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916922233 DKFHNQRCQIJOSU-GOSISDBHSA-N 469.419 5.253 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 916949124 MEQIMWDQEZMCFX-HRAATJIYSA-N 464.953 5.574 30 20 JKED Cc1nc2sccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 917581258 KCDUIWACHUNFPF-UHFFFAOYSA-N 451.511 5.248 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)s1 917677299 ARBSKOFQDUCNNB-FQEVSTJZSA-N 471.554 5.495 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1F 917686964 IUHYOGWUAUPHPL-HXUWFJFHSA-N 471.554 5.495 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(F)c1 917977061 CUBNGMBWEFIIFS-JOCHJYFZSA-N 491.979 5.403 30 20 JKED O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918670137 ILLZWHZCZQJHHC-ZIAGYGMSSA-N 486.334 6.096 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(-c2ccccc2Br)nn1 919894034 YCZTXGLYOPWMJP-UHFFFAOYSA-N 474.318 5.255 30 20 JKED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 920107766 GGPJLUGOLKQKQI-IBGZPJMESA-N 481.383 5.087 30 20 JKED C=CCN(C(=O)COC(=O)c1c[nH]cc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 920578344 UWLKRECHVICEGN-UHFFFAOYSA-N 450.347 5.129 30 20 JKED O=C(Nc1ccc(NC(=O)C(F)(F)c2ccc(F)cc2)c(C(F)(F)F)c1)c1ccccc1F 920844261 YZZVHJKBIDCQJW-UHFFFAOYSA-N 470.344 5.966 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920854269 KTZDVNLDFPYCEH-XMMPIXPASA-N 476.496 5.280 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)nc3ccccc23)C1 1778576408 RHFSKDCNSBWOAU-AJTFRIOCSA-N 484.040 5.008 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3)CCC2)cc1 1785784764 CYRBHQBIKYMPLE-UHFFFAOYSA-N 462.509 5.275 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cnc5c(F)c(F)ccc5c4)CCC3)cc2)cc1 1785882835 VJVTWCSBJYPURB-UHFFFAOYSA-N 496.517 5.375 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1786394852 IWQLIBPFKSRLCE-XMMPIXPASA-N 459.615 5.451 30 20 JKED Cc1ccc2nc(C(=O)Nc3ccc(C4(NC(=O)C/N=C/c5ccco5)CCC4)cc3)ccc2c1 1788939490 RKYIMFYLUXQWRE-STBIYBPSSA-N 466.541 5.003 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CCC1 1789291771 PBUDELTTWYDPQT-MRXNPFEDSA-N 467.566 5.589 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccn5cncc45)cc3)CCC2)cc1C#N 1789362026 RAFGYZBOSHWYRY-UHFFFAOYSA-N 493.567 5.055 30 20 JKED Cc1ccc(NCCC(=O)Nc2ccc(C3(NC(=O)c4ccc(CC#N)cc4)CCC3)cc2)c(C)c1 1789566216 QWBLMQHVTJEPRB-UHFFFAOYSA-N 480.612 5.619 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])CCC2)cc1 1789626515 TVPMZSGXDUOMHR-UHFFFAOYSA-N 481.549 5.049 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1 1789680395 KYURMSIRFARJRZ-UHFFFAOYSA-N 468.073 5.534 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C(F)(F)F)CCC2)cc1 1790565031 IQRQATGBYPJPFZ-OAHLLOKOSA-N 465.472 5.155 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3[nH]nc4c(Cl)cccc34)CCC2)cc1 1791249206 MHLCLDSZYQFJOJ-MRXNPFEDSA-N 450.970 5.105 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CCC2)cc1 1791582975 YNFZLBMZLPJQBZ-UHFFFAOYSA-N 494.517 5.442 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(OCc4ccccc4)cn3)CC1)C2 1798332102 IKLHTFJQJFDAJW-SFIUMABJSA-N 499.655 5.099 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1 1800795593 YFFPUKDAPFZNPK-REPLKXPHSA-N 483.436 5.015 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2cc(Br)cnc12 1801116380 UYGZDUBCKUYGIP-ACDBMABISA-N 484.438 5.242 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1802502127 FTDLJVHYGLLHSB-ZHHKINOHSA-N 479.587 5.449 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)[C@H]1c1cccnc1 1802502613 KQISOKOTSLSDPU-FUZURDOLSA-N 471.645 5.202 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1802503729 XFNZNSWPPXYGOG-AVRDEDQJSA-N 491.529 5.552 30 20 JKED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)C1 1805042696 MIULTCQTGWEVDU-UHFFFAOYSA-N 470.057 5.395 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)CSc3ccc(F)cc3F)CC2)C1 1805452123 PMVWDCCHGWZXTA-UHFFFAOYSA-N 462.606 5.057 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCC3(CCCN(C(=O)[C@H](S)C(C)C)C3)CC2)c1Cl 1806067668 ZSAGWLAZLMRBIM-LJQANCHMSA-N 457.467 5.101 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)cc2c1 1809157382 SVEQMJDXUDZDML-COVQPCOOSA-N 491.595 5.132 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cccnc3s2)[C@@H]1c1cccnc1 1809170273 TURNWJYJDIGPFP-UNMCSNQZSA-N 462.619 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1809474187 VGWOQLVHMCIGKA-URXFXBBRSA-N 480.052 5.465 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1810173616 IZSBFGKAIXAFBO-GWJPWWOOSA-N 490.406 5.616 30 20 JKED C=C1CC(C(=O)N2CCC3(CCCN(C(=O)c4c(CC(C)C)oc5ccc(OC)cc45)C3)CC2)C1 1810303971 VJKRSPFMENHBMS-UHFFFAOYSA-N 478.633 5.451 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@@H](CC#CC)c2ccccc2)[C@@H]1c1cccnc1 1810440182 GQCQJNAAMZZUPM-PKTNWEFCSA-N 469.629 5.053 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cccnc1)c1ccccc1 1810446996 IQQBNIFAXNFBRJ-WQOITCGXSA-N 491.635 5.088 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1811713252 NZKPJEAUUWLPPP-GCJKJVERSA-N 474.432 5.700 30 20 JKED Cc1cc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@H]3c3cccnc3)cc2s1 1812128842 CFSQFFDVQMNIJL-DRKZVIBPSA-N 497.624 5.193 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc3ccoc3c2)[C@@H]1c1cccnc1)c1ccccc1 1812148505 DAXCAQBQIBIXEJ-XQFUHLNNSA-N 491.591 5.345 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1812258623 AGKDLEIUXUDLAJ-CPJSRVTESA-N 491.035 5.595 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1)C(F)(F)F 1812683173 KVMZFFFAPNSVHL-DNQXCXABSA-N 479.502 5.187 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(Br)c2)[C@@H]1c1cccnc1 1813980205 JFHCTEVVRNXMAA-XPIZARPCSA-N 490.829 5.029 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(C#N)cc3)n[nH]2)CC1 1814499319 DGXQPLPFSYHBLY-APTRMMRNSA-N 461.610 5.123 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccccc2OC)n[nH]1 1815012373 BJFUHVYMYGEANS-OAQYLSRUSA-N 452.599 5.036 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)C#CC4CC4)n[nH]3)ccc21 1815118960 VMEXSUZJWHGBIZ-AREMUKBSSA-N 479.584 5.257 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)CCc4c[nH]c5ccccc45)sc3C2)c1 1815623033 DPMVKOOCWYXXGJ-UTKZUKDTSA-N 497.624 5.110 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816202913 WLQHGDPKOXJJKW-DEOSSOPVSA-N 475.568 5.618 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(OC)cc2)n[nH]1 1816794256 ODLYVMOUCUYCSG-QFIPXVFZSA-N 452.599 5.036 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817746247 QJINBENBALRZQP-DEOSSOPVSA-N 469.589 5.280 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)n[nH]2)c1 1818593499 UQPYYKUABNLNSS-HSZRJFAPSA-N 486.963 5.344 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2Cl)[nH]n1 1819303456 WKRFRPHOTKUQAB-GHTZIAJQSA-N 458.965 5.205 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1819307451 UWZQJFAXZXZDCS-RDJZCZTQSA-N 454.621 5.760 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(OC)c2)[nH]n1 1819311192 PJHJFZMSJGPVGJ-TZIWHRDSSA-N 456.974 5.146 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)[nH]n1 1819552912 KAUCXKMWBMZGDH-FQEVSTJZSA-N 489.661 5.089 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncccc2SCC)n[nH]1 1820398317 AESXCEJWSYXWFL-GOSISDBHSA-N 455.628 5.215 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(OC)cc3)CCC2)n[nH]1 1820848564 BSXQOSSHSAPQNJ-LADGPHEKSA-N 476.621 5.301 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)n[nH]1 1821006896 MQWMWBCBFQUAIB-XFEAKLGESA-N 484.572 5.232 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)oc2ccccc12 1821277494 APVJPZZEUDMRPW-NRFANRHFSA-N 487.947 5.609 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CC3)[nH]n2)cc1Cl 1821339396 IMWDULMGPHYGFP-SFHVURJKSA-N 490.391 5.113 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3F)n[nH]2)c1Cl 1822965712 GLCQWLKLZKCSOY-OAQYLSRUSA-N 479.943 5.013 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2SCC)CC1 1823659954 OMRZDEMIWCRCLQ-FYYLOGMGSA-N 455.668 5.195 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1 1823752503 VSRUUECVMOIQNQ-JOCHJYFZSA-N 471.045 5.213 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 1823753872 LTZOVJJVANHVQQ-OAQYLSRUSA-N 465.560 5.326 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1 1823989567 IDPHTFQYTLBOSZ-VWLOTQADSA-N 481.999 5.021 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)c1 1824051831 XWEILCYADUHUAT-HSZRJFAPSA-N 499.442 5.126 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1824511312 ZCKZFAKZMALSJV-XLIONFOSSA-N 475.054 5.379 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1824960959 BCQKMIWBPQRCBA-IBGZPJMESA-N 473.441 5.285 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1825567799 QUEIKHOALRXKQO-OAQYLSRUSA-N 477.093 5.517 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1825785333 VVYUWCCWJQUOHE-OAQYLSRUSA-N 489.563 5.494 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826438466 AYCQLJMLSYZEMB-JTSKRJEESA-N 467.437 5.204 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)CC1 1828321277 MHYXQCCZJMLSLG-KSSFIOAISA-N 451.057 5.106 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ncsc23)CC1 1828675572 KBPMWHOXODCBOH-DEOSSOPVSA-N 495.765 5.581 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1828822074 VVCQBBQRQDUIOF-RPLLCQBOSA-N 461.650 5.407 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1828877240 ABYOACCXRGBSIO-WEPTWERGSA-N 487.669 5.335 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)COC3)CC1 1828906548 SJRDWJVTVGZZDU-SANMLTNESA-N 480.725 5.001 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sccc3Cl)CC2)c1 1829442851 VVPWLOXTSFUVTG-QFIPXVFZSA-N 470.038 5.139 30 20 JKED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829572108 OZYPEWQAOCIFFK-XMMPIXPASA-N 469.585 5.075 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)CC1 1829998891 QOCGARHNUFGIQU-PKTZIBPZSA-N 462.556 5.707 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1830014904 BVKAFYBXWSXRBM-NDEPHWFRSA-N 478.596 5.167 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4Br)CC3)CC2)C1 1830392165 OJEKFCOXGOEING-QHCPKHFHSA-N 485.466 5.067 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)cc1 1830631347 BWELUMQEWJGOKZ-JOCHJYFZSA-N 485.415 5.002 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Br)cc3c2)CC1 1830873071 QFEMYQCJDZFRCO-DEOSSOPVSA-N 496.449 5.034 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3sccc3c2O)CC1 1830958641 GOLNZCDYXJBDMY-JOCHJYFZSA-N 452.620 5.034 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831142185 FIDZBCRGGASKNH-QFIPXVFZSA-N 457.684 5.303 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)ccc2Br)CC1 1831859733 WHOQWGPBXJVNOB-LJQANCHMSA-N 498.259 5.021 30 20 JKED COc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc(F)c1F 1832634077 NQWJPEYSERRCHR-MHECFPHRSA-N 495.570 5.148 30 20 JKED N#Cc1c(NC(=O)COC(=O)CCC(=O)c2ccc3ccccc3c2)sc2c1CCCCC2 10974864 FRVBHNUWQHIEDH-UHFFFAOYSA-N 460.555 5.187 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cccc(Cl)c2C)cc1 11258728 VLGAAOHAOBXCHJ-UHFFFAOYSA-O 464.054 6.428 30 20 JKED N#Cc1ccsc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 15089348 JNUBEBNLXNRFAI-UHFFFAOYSA-N 470.645 5.116 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccc(N(C)C)cc2)c(Cl)c1 15248290 SGGYZDBTTAGNPX-UHFFFAOYSA-O 484.001 5.269 30 20 JKED C[C@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 21606143 ANVHONJWDJTEEA-XYLCRUHJSA-N 470.529 5.201 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nnc1-c1ccc(Cl)cc1 23635006 MYPABHUPAYRSDT-UHFFFAOYSA-N 485.034 6.218 30 20 JKED O=C(COc1ccc(C2SCCCS2)cc1)NCC#Cc1cccc(C(F)(F)F)c1 24507226 FZMNJDRCDYUCLW-UHFFFAOYSA-N 451.535 5.121 30 20 JKED C=CCn1c(SCc2csc(-c3ccccc3OC)n2)nnc1-c1ccc(Br)cc1 30762661 APJPPCNPZGOQAO-UHFFFAOYSA-N 499.459 6.318 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C(C)C)nnc1-c1ccoc1C 32324878 KBEDIPJKUAPETM-GOSISDBHSA-N 465.406 6.095 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccc(F)cc1 32857999 CMDODBJEXZYJGZ-UHFFFAOYSA-N 487.532 5.403 30 20 JKED CCOc1c(Br)cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1OC 58762209 DTNHZGFAUDUETE-IZZDOVSWSA-N 461.356 5.282 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 108601053 YVESIXCMBKYUON-UHFFFAOYSA-N 462.859 5.267 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)C(C)(C)c2ccccc21 207159971 WXYZWYLBFNIZIG-SDLXJUDFSA-N 480.659 5.158 30 20 JKED C#CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1OCC 209131869 UVFFNPXBILICIU-SFQUDFHCSA-N 474.369 5.591 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)c1cccc(N2CCOC2=O)c1 211373605 ICNGTNJAYNBNPY-KTKRTIGZSA-N 456.329 5.399 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccccc1F 218653767 MRAQJKSWEOZPHR-ZDUSSCGKSA-N 461.360 5.152 30 20 JKED C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)c1nc(C(=O)OCC)cs1 409827803 USTSMIUIZFGLCI-UHFFFAOYSA-N 475.574 5.145 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1ccccc1 410127476 AADBLYJPLSHARR-MRXNPFEDSA-N 471.611 6.362 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)nc(O)c2c1C 481924733 VZVYMMCDTQQIAD-LBPRGKRZSA-N 496.536 5.087 30 20 JKED C=CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 482014976 JSXXIZPISMVTKG-IBGZPJMESA-N 494.560 5.469 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)s2)cc1 487419277 RXFWSYJHRQVVHU-UHFFFAOYSA-N 483.380 6.139 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CSCc2coc(-c3ccccc3)n2)cc1 488015986 UNIRPTLNILOVSM-UHFFFAOYSA-N 471.557 5.815 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 493223713 CJTWRRAJAJMMKB-UHFFFAOYSA-N 453.838 5.182 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2cccc3ccccc23)cc1[N+](=O)[O-] 497388577 UNERCIPFHQXBFE-QGZVFWFLSA-N 469.501 5.025 30 20 JKED N#CCCn1cc(C(=O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c2ccccc21 498353225 LYUIJDKFCFLRNO-UHFFFAOYSA-N 472.957 5.530 30 20 JKED N#Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 499627305 QUUCRTPNLYQKTQ-UHFFFAOYSA-N 456.398 5.722 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 505703464 QACQOJDPBHNAPI-UHFFFAOYSA-N 497.408 5.350 30 20 JKED N#Cc1c(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)sc2c1CCCCC2 506237198 VRYDNQIOMWSSAI-UHFFFAOYSA-N 477.409 5.334 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)n2)cc1 506845836 WDQGWXWIIQYCIO-HXUWFJFHSA-N 478.562 5.481 30 20 JKED CC(C)Oc1ccc([C@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 507750545 XAXNCEALAYWFQC-HNNXBMFYSA-N 453.593 5.372 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cc1Cl 508355163 ADJHDUIMODGXHR-XMMPIXPASA-N 479.024 5.642 30 20 JKED C[C@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)C1 510054019 HZHCNYLNJBMSAK-YADARESESA-N 479.024 5.498 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc(CN4CCCCC4)cc3)s2)cc1 510095827 SNEUFSGQCSEGOU-UHFFFAOYSA-N 478.647 5.010 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cs1 515448210 VKABKNQNFLCZCJ-UHFFFAOYSA-N 453.658 6.588 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)nnc1-c1ccccc1 515482506 DDMNCDQMQINLPV-DEOSSOPVSA-N 472.639 5.459 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@H](C)CC)nnc1-c1ccc(Cl)cc1 515680052 AELLTXHWXRDVKL-OPAMFIHVSA-N 495.052 5.657 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C 516720347 SMVVUAVXBVJKLS-UHFFFAOYSA-N 493.567 5.059 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cc2)n1 518668666 KUDIXWHJVVXNNT-UHFFFAOYSA-N 458.509 5.825 30 20 JKED Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4SC[C@@H](C)C#N)c(=O)c23)cc1C 519413424 VFSCOUGYCREJER-INIZCTEOSA-N 488.638 5.632 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3nc[nH]c3c2)nnc1-c1ccc(Cl)cc1Cl 519431308 CZYFJTLHHKOOIF-UHFFFAOYSA-N 459.362 5.045 30 20 JKED COc1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c([N+](=O)[O-])cc1OCc1cscn1 520837541 ZJJAWITVVYMGLP-AWEZNQCLSA-N 484.559 5.143 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OC1CCCC1 520937899 LFHZBJVQGWUQQZ-QZTJIDSGSA-N 453.608 6.294 30 20 JKED C[C@H](CC#N)Sc1ccccc1NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 520944121 UDBFMMYVXCJVJR-WIYYLYMNSA-N 451.592 5.018 30 20 JKED Cc1ccc(Oc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)cn2)cc1C 521302214 OTQCEUSRSFLKKX-UHFFFAOYSA-N 482.500 5.428 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 521746229 DMTDTJIHDXAAGG-QGZVFWFLSA-N 464.557 5.553 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c3ccccc3)cc2)c1 521805132 WANISYZCVALHBL-OAQYLSRUSA-N 453.420 5.099 30 20 JKED N#C[C@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc(O)c2c3c(sc2n1)CCCC3 522497844 MNLBXERSFLSDFM-LLVKDONJSA-N 468.510 5.167 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccccc1OCC(F)(F)F 524244944 BAMMSFCWLUQKEJ-UHFFFAOYSA-N 457.408 5.013 30 20 JKED O=S(=O)(N[C@@H](CC(F)(F)F)c1ccccc1)c1cccc(COCC(F)(F)C(F)F)c1 524335903 QEFPIPNQRKMGEC-INIZCTEOSA-N 473.410 5.076 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)cs2)cc1 553338435 CEMMDVBHYYTTMO-UHFFFAOYSA-N 491.560 6.415 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(Cc2c(F)cccc2Cl)o1 589276628 DLFAQZNWIHKHTP-CYBMUJFWSA-N 451.976 5.210 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCN(c2nc3ccccc3s2)CC1 589334902 XKTXHZSWZMUGQY-UHFFFAOYSA-N 488.426 5.629 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](OCCC)CC2)c1 594567868 ARRYSWWTOWQSDP-NRFANRHFSA-N 491.053 5.143 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccccc1F 597489769 NOBUNWQNKWUVDI-IBGZPJMESA-N 463.582 5.315 30 20 JKED N#Cc1c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)sc2c1CCCC2 603440464 HXRMTYFPBLWGRL-UHFFFAOYSA-N 484.425 5.974 30 20 JKED N#C[C@@H](Cc1ccccc1)Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 604040587 LKLMJQNLVRHAKP-LJQANCHMSA-N 471.552 5.499 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 604138860 PUTILUSXXFGMHD-HXOBKFHXSA-N 461.949 5.210 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 608875061 KWLKSFCFYTVGRD-UHFFFAOYSA-N 464.403 5.458 30 20 JKED CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609073470 IVYSFCUAWOBWMS-XMMPIXPASA-N 494.016 5.281 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 609078913 CVOFMEHCCLLYDC-UHFFFAOYSA-N 497.574 6.071 30 20 JKED N#Cc1cccc(OC2CCN(CC(=O)N3N=C(c4cc5ccccc5o4)C[C@@H]3c3ccco3)CC2)c1 609195151 ZNUTVPPYBAZSNZ-RUZDIDTESA-N 494.551 5.119 30 20 JKED COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609208716 CARVSBJLLMHGEV-VWLOTQADSA-N 457.530 5.572 30 20 JKED CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609209898 SZKIMYSAQJGIPC-LJQANCHMSA-N 485.462 5.273 30 20 JKED Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(C)c2)c1 609254421 RALXJAOBWGPNQZ-UHFFFAOYSA-N 482.584 5.637 30 20 JKED Cc1ccc2nc(COc3ccc(C(=O)Nc4ccccc4SC[C@H](C)C#N)cc3)cn2c1 609382635 KSAUINYLFZTBIW-LJQANCHMSA-N 456.571 5.726 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccc(F)cc2Cl)cc1 609405413 GWONRZPHGRVSNN-HSZRJFAPSA-N 463.940 5.433 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC2)c(C)c1 613144265 KOYWMYKAVRTJKY-UHFFFAOYSA-N 480.568 5.554 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)nnc1-c1ccncc1 613905401 MDHARMNBIMTGAW-HXUWFJFHSA-N 453.587 5.051 30 20 JKED Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)c(Cl)c1 619562125 GGUJJRNDRAZDCP-UHFFFAOYSA-N 474.973 5.258 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 642282170 QFLHZJKVGDLIIP-MRXNPFEDSA-N 473.501 6.149 30 20 JKED O=C(Nc1ccc(F)cc1Br)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642690822 ITDIHBCRNOLNER-YUMQZZPRSA-N 451.180 5.619 30 20 JKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(N2CCOCC2)c(F)c1 725836250 COILWXAEIKHGKX-UHFFFAOYSA-N 465.529 5.309 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S/C2=N/CCc2ccccn2)s1 726108942 NKOYBQVOFYGNLQ-JICIJDFBSA-N 496.633 5.223 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cccs2)cn1 726113044 PYSGFJNJNHVQBN-IBGZPJMESA-N 488.038 5.087 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N([C@@H](C)Cc2ccco2)C1=O 726420037 HAYYDVQGDDXCAU-GQBCFXJWSA-N 497.642 5.371 30 20 JKED O=S(=O)(c1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccs2)cc1)C(F)F 726426508 RMIWQVSKRSQHLK-UHFFFAOYSA-N 472.542 5.102 30 20 JKED CC(C)(CNC(=S)Nc1ccc(C#N)c(Cl)c1)CNC(=S)Nc1ccc(C#N)c(Cl)c1 726432985 WIAMXSASCRRYNE-UHFFFAOYSA-N 491.473 5.036 30 20 JKED CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=S)Nc2ccc(C#N)c(Cl)c2)c1 726453619 JPZOTLDAMPUQSU-QGZVFWFLSA-N 463.006 6.130 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)N=C1C 726570814 LNAWWWLEVQSMBO-UHFFFAOYSA-O 465.986 5.125 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)COC(=O)c2occc2COc2cccc(C#N)c2)cc1 726690508 XTOZKWINVJUIKK-VWLOTQADSA-N 488.540 5.040 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 728146597 CPBXNXFWIZFCNU-NRFANRHFSA-N 492.000 5.785 30 20 JKED Cc1ccc(-n2c(-c3ccncc3)nn(CN3CCC(Oc4ccc(C#N)cc4)CC3)c2=S)cc1C 728903512 QNJHOHVZJRKKLS-UHFFFAOYSA-N 496.640 5.455 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)c1OC 729429668 ONFFRRRWRYOBDY-IBGZPJMESA-N 480.977 5.120 30 20 JKED Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731069597 BVMGECNISUTABW-OAHLLOKOSA-N 451.573 5.166 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2cc(N)ccc2C)ccc1Cl 746479331 KYCANFMEMVYKPQ-UHFFFAOYSA-N 490.412 5.518 30 20 JKED COc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1OCCCC#N 747361480 PKIVHRYAYUNQPW-CPNJWEJPSA-N 482.993 5.205 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(CCc3nccs3)C2=O)cc1 747600790 QYVORYLMBLKXPZ-NRFANRHFSA-N 494.642 5.053 30 20 JKED O=C(/C=C\c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccc(N2CCOC2=O)cc1 748584647 SZONJTZIGRTJQV-OFLBZXQPSA-N 459.342 5.411 30 20 JKED CC[C@H](C)n1c(SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1 750396582 BCNCVTWJALPKTE-RDJZCZTQSA-N 480.544 5.629 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2cnc3c(c2)c(C)nn3C)C(=O)c2ccccc2)c(Cl)c1 750901289 DHVPOLPFVNPOKU-FYJGNVAPSA-N 458.949 5.452 30 20 JKED C=CCOc1ccc(/C=C\C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OC 769674624 ZLKHDIWXCZABFP-ALCCZGGFSA-N 470.736 5.415 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 799212010 DYJOIJUVWYRDCJ-SFHVURJKSA-N 494.495 5.043 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccc(C3SCCS3)cc2)c1 913429802 BDUUVEHSRRPVRL-SFHVURJKSA-N 454.617 5.274 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694079 CJPULZJGYHBXBF-SBUREZEXSA-N 495.576 5.409 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 915104353 OTBZTOJEZJBHDY-MRXNPFEDSA-N 488.516 5.478 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1cccc(OCC#N)c1 915710708 ZSCMTEVAOFIWRJ-UHFFFAOYSA-N 471.948 5.759 30 20 JKED Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2c(C)nn(Cc3ccc(F)cc3)c2Cl)S1 915849046 QROIEEAJFMRXLQ-YBFXNURJSA-N 454.958 5.541 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1-c1ccc(F)cc1 916057757 WLNXKMXRYPFOGY-JOCHJYFZSA-N 491.975 5.972 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)c(Cl)c1 916204335 CNBMJQORTAFYAT-SFHVURJKSA-N 484.380 5.048 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cccc(OC)c1 916207176 WHDOHQSQTSNRMZ-IBGZPJMESA-N 490.969 5.017 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O)Nc1ccccc1C(F)(F)F 916212571 YKIWJQIZBVYITO-IBGZPJMESA-N 479.499 5.747 30 20 JKED CN(c1ccccc1)c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 916546316 LFFYCNUXGHOQOY-UHFFFAOYSA-N 478.965 5.782 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 916712860 FCJWILXXJUGKFK-YYADALCUSA-N 495.432 5.003 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 916931336 QHBPPWDSFGBSON-HXUWFJFHSA-N 450.947 5.602 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc12 916936181 CPDXAAYEGQXBST-INIZCTEOSA-N 470.888 5.288 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2cccs2)no1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995773 FOFXABTXQJIYPJ-CQSZACIVSA-N 489.409 6.428 30 20 JKED N#C[C@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 917042427 CCTALQXCCYTQCJ-CQSZACIVSA-N 477.464 5.980 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046513 FYAOSPNRBBGRSC-HNNXBMFYSA-N 458.768 5.921 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc2cc(Cl)ccc2s1 917046937 XHWOCBVLJFLLKG-HNNXBMFYSA-N 457.342 5.852 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(C)Cc2cc(Br)cs2)c1=S 917457909 XWBWHLLKWWNENE-GOSISDBHSA-N 493.452 5.026 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1c(C)nn(-c2ccc(Br)cc2)c1C 917542870 WHQWLZHMXCVAMY-UHFFFAOYSA-N 497.422 5.080 30 20 JKED N#CCCCOc1cccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 917633027 GSZRONRDXDHATB-DEOSSOPVSA-N 453.502 5.529 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)c(C)c1 917672368 MJZNOHQXFJKTGX-DEOSSOPVSA-N 487.629 5.179 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccsc3)C2=O)cc1 917697241 VDGRMUMFKZXKRA-OAQYLSRUSA-N 499.564 5.389 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 918297624 LHIFBLWBMACSMA-JTHBVZDNSA-N 466.566 5.254 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC(C)C)CC(F)(F)F)ccc1Cl 918617776 FTMGVUUEWGIGDI-UHFFFAOYSA-N 488.959 5.382 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSCC(=O)Nc2cccc(Br)c2)cc1 919746120 HHIJIXDSXJIWKW-QFIPXVFZSA-N 494.414 5.415 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cc(C)on3)C2=O)cc1Cl 920353388 ILBXNGSIZNSAJH-NRFANRHFSA-N 498.992 5.114 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)c(F)c2)c1 920353944 WYYVBMDDGFRHKO-QFIPXVFZSA-N 481.524 5.134 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cn2cc(Cl)ccc2n1 920363054 QKKYYKLPYVMYDZ-UHFFFAOYSA-N 454.342 5.270 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)COC4CCCCC4)cc3)CCC2)c1 1786016898 MJTWPTGAVDDFQI-HXUWFJFHSA-N 459.590 5.411 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@@H]3CCc4ccoc4C3)cc2)CCC1 1786214599 KBEYIJXAIJKUHY-GNISGLHKSA-N 474.582 5.019 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCCO3)cc2)CCC1 1786645948 MGZGXMBXDGMXAN-HSZRJFAPSA-N 454.687 5.131 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)COc3ccc(Br)c4ccccc34)CCC2)cc1 1787649706 SDRPEKZOUSVMDU-UHFFFAOYSA-N 492.373 5.029 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)no1 1788357626 VFOPNZOMZQDXEA-UHFFFAOYSA-N 497.477 5.145 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(OC)ccc4o3)cc2)CCC1 1789241589 FLCFDNJSJRWVOI-UHFFFAOYSA-N 454.473 5.401 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)c3ccc4cncn4c3)cc2)CCC1)c1ccccc1 1789365620 XTARZTVZAHDPAR-HHHXNRCGSA-N 476.580 5.279 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3=CCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1789454839 GNFGPWBCNFZUPC-DEOSSOPVSA-N 493.648 5.456 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)CCC2)cc1)C(F)(F)F 1791305677 YOCUFMOSUOPMGX-UHFFFAOYSA-N 496.411 5.219 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CCC2)cc1 1791589135 ZNSAXXCXHNFZJT-UHFFFAOYSA-N 489.616 5.304 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3C)CCC2)cc1 1791728895 QFGJPZODXZSBFS-UHFFFAOYSA-N 468.395 5.094 30 20 JKED CCc1nn(C)c(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1Cl 1792122547 BYWSLRXZQMRONE-QGZVFWFLSA-N 490.007 5.324 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cn1 1792123370 WROYMEVDPGLKDG-FQEVSTJZSA-N 482.584 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccc(Br)c3[nH]1)C2 1798592689 DCWOTKULLDYABY-BCDXTJNWSA-N 472.427 5.175 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(Br)c1 1800438712 MLXNMUKSITYHSN-BCDXTJNWSA-N 465.819 5.123 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C#N)cc2)C3)cc1Cl 1800793481 METLZLOAVDQBJV-ACDBMABISA-N 486.399 5.218 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1 1802392518 MJIBGZXWRNNPLA-WNJJXGMVSA-N 488.676 5.588 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)[C@H]2c2cccnc2)C1 1802416038 MHCWCYSBBYIROC-LSYYVWMOSA-N 483.587 5.097 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1803090064 FPQIVDFXKIFTIO-FYYLOGMGSA-N 487.522 5.068 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC2CC2)c(F)c1)c1ccccc1 1803936786 YEKJBKBLRSCGFI-QYOOZWMWSA-N 488.603 5.064 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2cc(C)cs2)[C@@H]1c1cccnc1 1804528372 GXPFXCALWXJWMY-QPPBQGQZSA-N 453.652 5.083 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cccc(Br)c4[nH]3)CC2)C1 1805457101 SRPSRDPQSGALQN-UHFFFAOYSA-N 498.465 5.544 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)c3cc(Cl)c(Cl)cc3C)CC2)C1 1806015938 CQJUILYEXSYWTL-UHFFFAOYSA-N 467.437 5.129 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2Cl)[C@@H]1c1cccnc1 1810275272 SRTGDQUMSNJCCB-WNCULLNHSA-N 496.127 5.035 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(C)cc(F)c2)[C@@H]1c1cccnc1)c1ccccc1 1810800154 CKZMHCNGSBVDND-KGPYPHOUSA-N 483.587 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1811288055 QIWCUSPIOHOSIO-BKMJKUGQSA-N 498.652 5.637 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3cnco3)c2)[C@H]1c1cccnc1 1811382415 NUIUMETVZRWZGD-ILBGXUMGSA-N 472.589 5.049 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1812370332 JYNZZPLIBVECCB-SGIRGMQISA-N 480.678 5.359 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n[nH]2)c1 1814372084 JQWPLPCANZJESB-HSZRJFAPSA-N 486.963 5.344 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1815241741 JFSXNUXDJZPAKQ-KPIBZCQDSA-N 480.556 5.088 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1815656927 NWERPOAWINKXSG-INIZCTEOSA-N 471.385 5.081 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C\c3c[nH]c4ccccc34)n[nH]2)c1 1815786452 XVIBLCFEKRSERI-NIFVDBSRSA-N 492.583 5.101 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cccc(F)c4s3)n[nH]2)cc1 1818594228 KAWNWHHPBZYYJA-NRFANRHFSA-N 487.560 5.184 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)[nH]n2)c(Cl)c1 1821275236 ZFSNLUDEFJMISJ-QFIPXVFZSA-N 491.954 5.112 30 20 JKED Cc1cc(F)c(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1821334188 MUPPLSRUIKWRLX-ZHRRBRCNSA-N 477.515 5.243 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1)C(F)(F)F 1821528023 OQMICRQPMHJCKS-MRXNPFEDSA-N 462.497 5.357 30 20 JKED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)[nH]n1 1821877601 DIIKYFJTGMVFPS-NRFANRHFSA-N 482.462 5.160 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)[nH]n1 1821919760 CZQNYRWMUAGHAC-CYFREDJKSA-N 482.588 5.267 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1821925421 SPGNLLXVWOGIFP-QVKFZJNVSA-N 451.958 5.129 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)cc(C(F)(F)F)c1 1822022059 KEOOLODQSIFXMF-OQYZPLRDSA-N 499.537 5.432 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[nH]n1 1822384951 SJNXRBJVRJFKHL-LIRRHRJNSA-N 479.631 5.244 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1)c1ccccc1 1823210902 IDWNOSFPIDDHOX-BFMBIBTESA-N 469.589 5.536 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1823423214 FIIDCVUGIVOCNE-INIZCTEOSA-N 453.757 5.089 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)cc1 1823683622 YJVMDRCRINOSPZ-HSZRJFAPSA-N 499.442 5.126 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc(Br)n2)CC1 1823752080 KWLAFAAKPTXCKT-SFHVURJKSA-N 482.488 5.131 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C)cc2C(F)(F)F)CC1 1824141597 XCGZKMFWUANKSR-QFIPXVFZSA-N 465.560 5.046 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1824511731 PVGITGBUTIUUQM-WZONZLPQSA-N 481.464 5.137 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)cc1Cl 1824537590 DKKDTBFNLQCLAU-GMAHTHKFSA-N 481.102 5.315 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824641379 NXSLWHODEZFJNF-CSKPTYFESA-N 452.561 5.107 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1824884449 VHUZHVLYULXDDL-AFMDSPMNSA-N 496.026 5.582 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(Cl)s3)CC2)c(Cl)c1 1825034254 DVVUQFHIEUIUDY-OAQYLSRUSA-N 490.456 5.403 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C(C)C)on3)CC2)cc1C#N 1826157085 CRGMAANQGMLFBO-XMMPIXPASA-N 492.620 5.004 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3s2)CC1)c1cccs1 1827683827 LFUNOMYWIYPZDV-OVKVCFKUSA-N 482.627 5.228 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccccc2)CC1 1827793176 PLGPCJPCTSCNNI-AREMUKBSSA-N 457.618 5.176 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c1 1828400269 HDWVPZUKRAZYDQ-NXCFDTQHSA-N 476.020 5.249 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)CC1 1828778342 PWYTXBPWHXCQLF-NNWRFLSQSA-N 460.709 5.617 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1 1828820684 ASLMIRVEIUYIEH-RPBOFIJWSA-N 452.614 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1828825112 RDAFMBBVHJACAQ-LADGPHEKSA-N 497.083 5.552 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sccc2Cl)CC1 1828906249 BPLZVPOVELNONI-NRFANRHFSA-N 479.162 5.686 30 20 JKED O=C(c1ccc(-c2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828999403 MGHJNHNIYZDFPN-ONWFOFBKSA-N 483.612 5.299 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2cnn3C)CC1)c1ccccc1 1829033415 WSSYLDFXTRCIOC-LBNVMWSVSA-N 496.655 5.004 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1)c1ccccc1 1829034692 CJDVNOGEYKNRQW-URLMMPGGSA-N 499.655 5.076 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1)C(F)(F)F 1829454628 RXFHYZQRSKQIJK-AWEZNQCLSA-N 469.356 5.407 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829576036 DWKYFHKQORCHHU-JOCHJYFZSA-N 474.630 5.233 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)[nH]c12 1829689991 HAESKVBUSPDZPN-DEOSSOPVSA-N 489.019 5.549 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)CC2)c1 1830514575 CECLZGQIFJZAKS-NSYGIPOTSA-N 483.534 5.278 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1830631948 STKLIRKTPGLDDO-XMMPIXPASA-N 483.534 5.319 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1)c1ccccc1 1830862135 PDYKPJCZMIDHQA-FIBWVYCGSA-N 493.651 5.665 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCC(=O)OC(C)(C)C)CC1 1831373854 IFVVYOXJTMDYAT-UPVQGACJSA-N 476.702 5.501 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)S)CC2)c2ccccc12 1831847401 FRGILRPBVZGVIS-CPJSRVTESA-N 452.664 5.019 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)c1 1832628897 GOGIPKJKOMPUBA-DVECYGJZSA-N 471.592 5.372 30 20 JKED Cc1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1832703209 WBFWWAQGVJKGFP-HSZRJFAPSA-N 479.646 5.263 30 20 JKED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(F)c(F)c1CSc1ccccc1 1847826972 RZHIGXOFUKNJEP-QNWVGRARSA-N 490.641 5.027 30 20 JKED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccc(OCc2ccccc2)cc1)C(C)C 1848063745 BARDWMHONSEMQG-NSVAZKTRSA-N 492.685 5.126 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2scc(-c3cccs3)c2c1=O 11382696 KQCPZBUIOPVIND-UHFFFAOYSA-N 467.641 5.720 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)n(Cc2ccccc2)c1C 16622874 OFBYDDYCEMVUHP-UHFFFAOYSA-N 491.020 5.205 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 20990639 MPIQZFNWLHOAJX-KRWDZBQOSA-N 468.598 5.599 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1oc2ccccc2c1CSCc1ccccc1 21154186 BDJGKQJECSEXBX-UHFFFAOYSA-N 462.552 5.595 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)cc2F)cc1 22727153 CNYRMLXOIHQRBP-UHFFFAOYSA-O 475.531 6.485 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccccc1Br 23518316 JWLTZQCFGVMDDH-AWEZNQCLSA-N 491.386 5.064 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)[nH]c1C)[n+]1ccc(Cc2ccccc2)cc1 23580415 FDRNOFDGASQMKV-UHFFFAOYSA-O 470.618 5.569 30 20 JKED O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCC#Cc1cccc(C(F)(F)F)c1 24508221 DNBJKDUJOMNULS-UHFFFAOYSA-N 467.274 5.768 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccccc3SCc3nc(C)no3)c2)c1 30991331 ACSWVGFATOMJMM-UHFFFAOYSA-N 483.549 5.109 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1 46581976 PKLYEAKMZHJNLG-IBGZPJMESA-N 474.611 6.126 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 106056117 PHZNIUIVEYNXTP-UHFFFAOYSA-N 499.552 5.209 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)CC1 106126237 IWRIUEXDIHGRJQ-UHFFFAOYSA-N 479.949 5.438 30 20 JKED COc1ccc(Br)c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 108375454 YOPBBTUEJXPIER-UHFFFAOYSA-N 451.320 5.355 30 20 JKED Cc1ccc(-n2nc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c3c2CCC3)c(F)c1 409804637 GYBUNJWIIRQZMI-UHFFFAOYSA-N 479.515 5.185 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)Nc2ccc(CC#N)cc2)s1 486033067 XDGHHVBYGOZNRP-UHFFFAOYSA-N 454.555 5.810 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCCOc2ccccc2Br)cc1 487835943 LRMOEZVHXGWGID-UHFFFAOYSA-N 455.274 5.071 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-c2n[nH]c(-c3ccccc3)n2)o1 489032297 FQJRBWSPKGBROT-UHFFFAOYSA-N 461.481 5.435 30 20 JKED COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)c1OC 489479523 JZJGTXMOIXQCOS-WXNAFCGMSA-N 481.596 5.751 30 20 JKED C=CCN(C(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1nc(C(=O)OCC)cs1 501919579 VSNPRLIDAMYADZ-UHFFFAOYSA-N 458.543 5.005 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CSc2nc(C)nc(C)c2C#N)cs1 505892046 VKTXFDMWRCKFEB-UHFFFAOYSA-N 463.510 5.417 30 20 JKED C=CCn1c(SCc2cccc(C(N)=O)c2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 506549153 PWCJMQDVFHFTFX-UHFFFAOYSA-N 465.575 5.150 30 20 JKED COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1 507809027 FBFZHZCAHOFNOB-QZTJIDSGSA-N 475.545 5.054 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1 508247296 BVPVOLICIXQKSQ-XMMPIXPASA-N 487.947 5.657 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 508976074 DDRULBOQFPPVJS-UHFFFAOYSA-N 469.410 5.905 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 510193497 OSNKYGLOUVFJHH-IBGZPJMESA-N 473.598 5.454 30 20 JKED Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 510874319 ZFGWRSVYIWZAGJ-UHFFFAOYSA-N 485.569 5.620 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CSCc1ccc(C#N)cc1)CC2 513830812 DXDASRGTJVIYRU-RUZDIDTESA-N 464.612 5.044 30 20 JKED N#Cc1c(NC(=O)c2cc(Cl)ccc2I)sc2c1-c1ccccc1CC2 515624950 JQUDOAZURLBJQQ-UHFFFAOYSA-N 490.753 5.896 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 515960146 DXJJRVSSZXILBI-UHFFFAOYSA-N 462.358 5.396 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 516245747 YSLKMWTYIWDLFZ-HXUWFJFHSA-N 460.603 5.522 30 20 JKED Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 517971075 HBHAHTXZNQKHCO-UHFFFAOYSA-N 494.642 5.027 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518148029 NDKYLKVEPLRTIE-UHFFFAOYSA-N 495.523 6.447 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)cc1 518516559 KMSJINLIQYBZFT-FQEVSTJZSA-N 475.957 5.172 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 521809730 HJNQTILYWTVAAD-IBGZPJMESA-N 465.517 5.107 30 20 JKED Cc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CC3)n(CCC#N)n1 522134550 HBCUBPMAXPUFAC-KNTRCKAVSA-N 467.960 6.046 30 20 JKED Cc1ccc(-c2noc([C@@H](C)SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)n2)cc1F 524614171 WFJCLBUWHZBMHI-GOEBONIOSA-N 470.595 5.869 30 20 JKED C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 559552977 JPWVDUZTGAFWKE-NRFANRHFSA-N 479.555 6.379 30 20 JKED Cc1sc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)c(C#N)c1C 590613478 WOOSODOGMYRAER-UHFFFAOYSA-N 473.558 5.253 30 20 JKED COc1cc(OC)c(C2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c(OC)c1 591558742 LRPUQUJYTAFRES-QGZVFWFLSA-N 497.661 5.121 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)s2)cc1 602230143 TUSVHQISDRNJBG-UHFFFAOYSA-N 462.534 6.180 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3cccc4ccccc34)cn2)c1 604426747 PXOMVXQHHJBZCJ-RUZDIDTESA-N 462.509 5.201 30 20 JKED CC(C)[C@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 608838075 HWOJYHOLNQUPSN-FQEVSTJZSA-N 487.482 5.054 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]3c3cccc4c3OCCO4)c2)cc1 608994153 HODLPNYRBJSKRI-VWLOTQADSA-N 469.541 5.472 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc(OC)c1OC 609008142 PRHITHNZVRWPDN-MRXNPFEDSA-N 487.375 5.198 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)NCCCc2nc(-c3ccncc3)cs2)c1 609030513 UOINYIJLJNVBEL-UHFFFAOYSA-N 454.555 5.018 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cccc(OCc4cscn4)c3)cc2Cl)c1 609063253 SWHGYWKUQTVULG-UHFFFAOYSA-N 475.957 6.078 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1 609072747 YTWLGLUVJHZOPI-UHFFFAOYSA-N 482.584 5.196 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSCc3coc(-c4ccccc4)n3)cc2F)c1 609104636 KADQPAMABUQTLU-UHFFFAOYSA-N 473.529 5.803 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3 609388261 ZUFQDYTVKJYUKP-CYBMUJFWSA-N 470.645 5.152 30 20 JKED Cc1c([C@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)oc2ccccc12 609402771 PXENETDKLURKLC-AWEZNQCLSA-N 475.492 5.582 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCc1c(Cl)cccc1Cl 609403205 CXPSJCVRYRPZBO-UHFFFAOYSA-N 490.334 5.315 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCC(=O)N3CCCC3)n2)cc1 612894607 BXQNKXSGQUYEQC-HXUWFJFHSA-N 461.612 5.323 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)ccc1OCc1ccc(Br)cc1 613292175 BNYXAJNGPILUEY-NRFANRHFSA-N 487.353 6.075 30 20 JKED CC(C)NC(=O)CSc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403096 BLCQDJSNGUBNGC-OAHLLOKOSA-N 477.533 5.422 30 20 JKED COc1cc(OC)c2cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)[nH]c2c1OC 613404895 QAIISZPUMDUHOY-LBPRGKRZSA-N 475.448 5.312 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)cc1 613837068 PPJCYWALIXGUEJ-UHFFFAOYSA-N 470.569 5.664 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N\[C@@H](C)c2cccs2)n1 726418507 DKCFCDGHBQAILG-IPTCSCHISA-N 482.606 5.181 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\[C@H](C)c1cccs1 726418548 DVUVLLSRPNOJFA-PICPZKJQSA-N 494.082 5.526 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@@H](C)c1cccs1 726421850 QECUTUAMOCQAQQ-QTTWMTAASA-N 499.580 5.193 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCCC2CCCC2)cn1 726888980 FDASYDMAZIXDLK-QFIPXVFZSA-N 496.633 5.030 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC(CN(C)Cc3ccccc3)CC2)c1=S 727423282 PGSYHNKHLNKKLV-UHFFFAOYSA-N 477.678 5.077 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3cccc(C)c3)cc2)cs1 727655319 VOMWQHWPZRZOJO-LFIBNONCSA-N 482.605 6.920 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2csc(-c3ccccc3F)n2)CC1 728322561 JUEROBCQTWQHPA-UHFFFAOYSA-N 478.505 5.029 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccc(C#N)cc2)cc1F 728424628 FOAOCPUOKHNBFQ-XMMPIXPASA-N 497.555 5.038 30 20 JKED CCOC(=O)/C(=C\c1cccc(OCc2cccc(C#N)c2)c1)c1nc(O)c2c(C)c(C)sc2n1 728698969 BZKVTBWGQDACPW-XKZIYDEJSA-N 485.565 5.568 30 20 JKED CN(CC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 728896423 BBUXFAPANHDEEJ-UHFFFAOYSA-N 479.646 5.570 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccc(F)cc2)ccc1OC(=O)c1ccccc1Cl 730550060 UABNGAUGECSERE-UHFFFAOYSA-N 482.924 5.136 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1=S 731027849 QYTJAKGIGSSQHN-WIOPSUGQSA-N 487.629 5.779 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 731030464 QXXFVJWCNINPBQ-ZDUSSCGKSA-N 462.449 5.224 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)n1C1CCCCC1 731064238 OJPJIFXGOWHKTG-KRWDZBQOSA-N 453.608 5.657 30 20 JKED CC(C)c1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c12 731069236 FASHZBAYSPVJKU-HNNXBMFYSA-N 478.574 5.413 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 731076126 XCMHWVAXKVQUKM-CQSZACIVSA-N 489.384 5.369 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)c(C)s1 731305873 HKTWIUUAGNZZDS-OPAMFIHVSA-N 479.627 5.792 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H]2c2cc(OC)ccc2OC)c1=S 732485183 AISUAPMLLICPOI-OAQYLSRUSA-N 454.571 5.218 30 20 JKED CC(C)(C)OCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 746695761 HTIWFIFMUBTLMC-LJQANCHMSA-N 493.551 5.481 30 20 JKED COc1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cc1OCCCC#N 747361479 PIOOHLSJFOCKFF-XMHGGMMESA-N 492.000 6.800 30 20 JKED C=CCn1c(SCC(=O)Oc2ccccc2Oc2ccccn2)nnc1-c1ccc(Cl)cc1 748677916 RGGIGLFLTHQTFI-UHFFFAOYSA-N 478.961 5.670 30 20 JKED CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 748986649 YDRHBXZUQRDMGG-QFIPXVFZSA-N 483.012 5.764 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 750704701 ISNQPPFDOFGZOG-HXUWFJFHSA-N 487.434 5.113 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cscn2)C1=O)Nc1ccccc1 750909748 IHZLJIKVZNNDFH-XMMPIXPASA-N 498.633 5.971 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CC(F)(F)F)C2=O)cc1 799222265 ZPGAWVJYKVRUKL-KRWDZBQOSA-N 483.899 5.065 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N([C@H](C)c3ccccn3)C2=O)c1 837455141 IKJKDVQHKAHLSK-DVECYGJZSA-N 488.613 5.429 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C(C)C)c1 875113421 LJTDPENTFHWLPE-UHFFFAOYSA-N 474.932 5.221 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)c1C#N 878322703 NRKCGZRBWVNCOG-MRXNPFEDSA-N 463.559 5.040 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)CC(C)C)ccc1Cl 914510127 RSMDFUQSMLVMGG-UHFFFAOYSA-N 455.407 5.103 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 915277873 GQRIJNDOPPGEFG-UHFFFAOYSA-N 463.534 5.272 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 915304477 VTZJMQPYTRYMAP-UHFFFAOYSA-N 467.489 5.576 30 20 JKED COc1cc(C=NNCc2ccc(F)c(F)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 915975790 XGKLFEXHVTZNEB-UHFFFAOYSA-N 493.432 5.133 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccco2)C1=O 916208590 MAUKARMNMLTYSD-FQEVSTJZSA-N 471.941 5.541 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccn2)C1=O)Nc1cccc(Cl)c1Cl 916211673 OBOHBGAICNYISW-FQEVSTJZSA-N 499.423 5.591 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 916216984 ALYWSVHODHRTBC-LJQANCHMSA-N 497.514 5.231 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)c1ccc2ccccc2n1 916849919 WMYXCAKSPFAQCK-CLOONOSVSA-N 457.327 5.994 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976098 JEUNLYXOEZEVMM-ABAIWWIYSA-N 478.788 5.765 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=Nn1c(S)nnc1-c1ccccc1Br 917539777 FXUGQFIPDCICKR-UHFFFAOYSA-N 487.814 5.334 30 20 JKED C[C@H](N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1cccc(O)c1)c1ccccc1 917609120 GEEFRHAYESHPJR-SFHVURJKSA-O 476.622 5.038 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)c1 917676114 CJYUJRLJBTVHHN-VWLOTQADSA-N 490.673 5.138 30 20 JKED CC[C@H](C)C(=O)Nc1cccc(CN2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(C(C)C)c2)c1 917710793 XLGMGHKNCYFOIX-MBSDFSHPSA-N 494.661 5.062 30 20 JKED N#CCCCOc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 917727667 BGTDVDGYIPKLFW-XDJHFCHBSA-N 471.629 5.051 30 20 JKED Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917876231 JXBPIYYAUSUOBR-WSDLNYQXSA-N 474.883 5.075 30 20 JKED N#Cc1cccc(OCC(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 918563344 LGGYHNGNSIUEJY-FQEVSTJZSA-N 487.503 5.292 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2/COc3c(C)cccc3C2=O)cc1OC 920066628 GUUVUVRZXSLWJC-WQRHYEAKSA-N 493.943 5.342 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920105318 BICMNDGLYRYBJF-LJQANCHMSA-N 479.367 5.720 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)/C(=C/c3ccccc3OC)c3ccccc3)n2)cc1 920144249 ZIPSMNLZSWPVFL-DFOZZHOTSA-N 466.562 6.244 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NCc3ccccc3)SC2=Nc2ccccc2C#N)s1 920168717 NKXNJGLSCHPRJC-JPYJTQIMSA-N 488.638 5.327 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1nc(-c2c(F)cccc2F)cs1 920806725 OQDAPGPHSNQCSV-GOSISDBHSA-N 481.524 5.313 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 920868090 IFLJHHNGHQBXSY-VLIAUNLRSA-N 477.989 5.030 30 20 JKED CCOc1cccc(C=Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)c1O 920946038 PLBXGLWJWWOKLD-UHFFFAOYSA-N 460.939 5.004 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NCC2CCC2)[n+]2ccc(C(C)(C)C)cc2)C=C1 1338394703 KFTHFGRYQZHDNI-UHFFFAOYSA-O 466.671 5.279 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CCO2)C1 1779242032 GRVCULZDTVULJP-WJOKGBTCSA-N 497.639 5.338 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)CCC2)cc1 1786102920 CRRQIUOBXRZKRE-LJQANCHMSA-N 469.626 5.192 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCC(=O)OC(C)(C)C)cc2)CCC1 1786162594 OFRAQRVTLPFJQA-QFIPXVFZSA-N 454.611 5.401 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4nc5ccccc5[nH]4)cc3)CCC2)cc1 1786360456 PMRQAISOYYBJHD-FQEVSTJZSA-N 492.579 5.016 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)CCC2)cc1 1786364923 YEVNPPYDHIBJJW-RUZDIDTESA-N 489.660 5.016 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)c(C#N)c4)CCC3)cc2)c(C(F)(F)F)o1 1787398343 JQWHVEKHPZIAJJ-UHFFFAOYSA-N 499.464 5.608 30 20 JKED Cc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)cc2n1 1788322134 FNVNXNSBOSNLNS-UHFFFAOYSA-N 450.498 5.069 30 20 JKED C=C(Oc1ccccc1O)C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1788642383 FCWFFGJJPCLWAR-LJQANCHMSA-N 481.552 5.360 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cccc4cccnc34)cc2)CCC1 1788910660 HLEADGJNHLHGCS-BUHFOSPRSA-N 481.577 5.483 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4cc[nH]c34)cc2)CCC1 1788990791 GXCLGNHYXZUPSE-INIZCTEOSA-N 496.405 5.269 30 20 JKED Cc1nc2ccncc2cc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1789248343 IIMZITLAUCCYRC-UHFFFAOYSA-N 495.970 5.525 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cn4ccsc4n3)cc2)CCC1)c1ccc(O)cc1 1789335377 KQUHMZSZAUXCBT-FQEVSTJZSA-N 498.608 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)c1 1789371303 XWRNNGMLIPCKEV-UHFFFAOYSA-N 454.555 5.471 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CN3CCc4sccc4C3)CCC2)cc1 1789453088 JTYQJKMQTGOYNU-HSZRJFAPSA-N 463.647 5.009 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)nc2ccc(Cl)cn12 1790258605 CJTFWZZBKFRVSS-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790553961 VXLMNLYAYKQHSE-UYAOXDASSA-N 457.615 5.026 30 20 JKED COc1cc(C)c(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)ccc4F)cc3)CCC2)cc1OC 1790766730 JPDKAUDFROTJNL-UHFFFAOYSA-N 487.531 5.085 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790979041 UJPONRHZEOGLAO-UHFFFAOYSA-N 491.975 5.145 30 20 JKED Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c(C)n1 1791773108 IHWJENTYFHNTQW-HXUWFJFHSA-N 480.612 5.706 30 20 JKED CCc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168833 IECSCUDNXKKNGS-UHFFFAOYSA-N 488.613 5.426 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)cc2)CCC1 1792303025 MLFAXTXLSYGVKD-VJBMBRPKSA-N 481.637 5.192 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](c2ccc(OCc4ccccc4)cc2)C(C)C)C3)C1 1792503908 IXRKJMIJDOGPIG-LLNGEMMXSA-N 486.656 5.610 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)c(OCC)c(Cl)c1)C2 1792572772 UVPCWIBYQGQRLG-BCDXTJNWSA-N 450.982 5.122 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(C(F)(F)F)c1 1800463752 OPIWATZMSOJTHQ-BCDXTJNWSA-N 454.920 5.379 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cccc(Br)c2)cc1 1800837884 FTRQPAVNBNGHFD-NUNAXRQHSA-N 499.474 5.287 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@@H]1c1cccnc1 1802493831 YMFOYKRNFNXARK-PGRDOPGGSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1803086748 LVUWAQVKNMBVCH-IRPSRAIASA-N 495.623 5.962 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1803091052 KWOPIWOOFVVAHM-ZEQKJWHPSA-N 496.051 5.610 30 20 JKED CCCCCc1cccc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2c2cccnc2)c1 1803604999 ZSSDPLGPQCBKQG-IEUSDUHPSA-N 481.706 5.017 30 20 JKED Cc1cccc(CCC(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1804037340 YFLYDPXUPQZNOQ-GGXMVOPNSA-N 489.736 5.080 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc(C)cc23)[C@H]1c1cccnc1 1804374496 HQZDJBODRYUNPX-WXVAWEFUSA-N 472.633 5.112 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808161904 WIFQYIQSXLMUGW-LZCXECNNSA-N 491.035 5.613 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H]3CNc4ccccc4C3)C2)CC1 1809841214 ZNHYKLWKQZGEDB-QHCPKHFHSA-N 463.666 5.051 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)[C@H]1c1cccnc1 1810277106 MJNMNFLRGHDKIY-GJMSYMISSA-N 479.741 5.109 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1810495051 NPHYNVMVRKVMHZ-LBNVMWSVSA-N 496.655 5.764 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1810498293 LNHPQIISIDBSNJ-GCJKJVERSA-N 467.660 5.670 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)CC1 1812792307 AUACGCBZEXNWSB-YNMPZUNCSA-N 493.051 5.389 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](C)c2cccs2)[C@@H]1c1cccnc1)c1ccccc1 1813341712 RIBZEROLYDPHKZ-GUFCLIDSSA-N 485.653 5.150 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)c2[nH]1 1814379826 VGGUWXHRPJGLQP-XMMPIXPASA-N 480.572 5.010 30 20 JKED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)[nH]n2)cc1 1814498018 LOIRDVUZXAUIIS-OAQYLSRUSA-N 487.560 5.184 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1)c1ccccc1 1814739283 QWBSLUWRMNQSJU-NLFFAJNJSA-N 469.589 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)n[nH]1 1814922676 GVBTWUKZHDVAGA-DNVFCKCGSA-N 468.548 5.252 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1)c1ccccc1 1814931837 QSYLXLZOGDZKII-NOZRDPDXSA-N 455.562 5.027 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)[nH]n1 1815207065 OMGBCWGTAOOTQM-XMMPIXPASA-N 487.604 5.069 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)[nH]n1 1815249271 RCGRUZLGGGYBMN-CRAIPNDOSA-N 473.401 5.116 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)[nH]n1 1816462907 KAJKKOUYZOGMDU-OAQYLSRUSA-N 459.550 5.100 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4cnccc4c3)n[nH]2)c1 1818646410 DQSRTIVQSCXMDL-IQGLISFBSA-N 478.556 5.205 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3sc(C)nc3c2)n[nH]1 1818701556 IZESYDXXFSQROO-HXUWFJFHSA-N 465.623 5.626 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)[nH]n1 1819302313 DDJLYGMPDXXZHR-NOZRDPDXSA-N 492.620 5.232 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(Cl)c(Cl)c2)[nH]n1 1819306850 HDWMOJXKPSSXDC-MAUKXSAKSA-N 462.381 5.186 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc(-c4ccccc4)s3)n[nH]2)cc1 1819931886 OYPRRFSCKPPSPJ-NRFANRHFSA-N 482.569 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N[C@@H](C)c1ccccc1)C1CC1)CC2 1820101121 WMHZMCQCDFSYRL-VNZMSGEBSA-N 494.705 5.177 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(NC(=O)CCC)c(C)c2)n[nH]1 1820174706 WFXNYGNCQSXUIM-URXFXBBRSA-N 491.636 5.531 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCOc3ccc(Cl)cc3)[nH]n2)c1 1820482353 ZWTAJHXBTQFODQ-HSZRJFAPSA-N 491.979 5.100 30 20 JKED COc1cc(C)c(C)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1821343191 DCDOONZSFYORRG-CYFREDJKSA-N 485.588 5.282 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)n[nH]1 1821476101 KFLNATJWUIBPAU-QGZVFWFLSA-N 490.789 5.189 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)CC2)C1 1823702208 WLMUJVGOUYNLNR-NRFANRHFSA-N 474.527 5.067 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1823885437 WWLMAZRJSYWAJJ-RUZDIDTESA-N 483.616 5.013 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1824538342 OYGLUTMYPSVAKI-YADHBBJMSA-N 462.059 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 1824642442 NAFSQXQZGFPNBQ-HLJPNSHOSA-N 454.577 5.331 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827263891 ZNYGUCMLPLHFFO-LJQANCHMSA-N 478.083 5.102 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cn(-c4ccccc4)c4ncccc34)CC2)C1 1827382013 MZRPQXXJWHWPSQ-MHZLTWQESA-N 482.628 5.225 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)CC1 1827713444 HKWOVQWKABHLRL-XMMPIXPASA-N 477.649 5.876 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 1828821680 PNJFUPKYBWUIMJ-ZRJLEYOISA-N 464.650 5.079 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)c(F)c(Cl)c2)CC1 1828829019 CHMLTUQHPYCHCF-SIKLNZKXSA-N 464.984 5.620 30 20 JKED CCCc1onc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828905175 KRWXRSQHIXUWAX-QHCPKHFHSA-N 485.745 5.220 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccsc2)CC1)c1ccccc1 1829032168 FKCBCQLLJHOPAF-UIOOFZCWSA-N 462.659 5.108 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1)c1ccccc1 1829035057 KGVMZJHHGVFTOJ-POURPWNDSA-N 493.651 5.665 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1829565061 ZFCMFBTWVLKQDX-MHZLTWQESA-N 482.628 5.267 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c1Cl 1829689468 GQGVXTAGOWBQRL-JOCHJYFZSA-N 495.410 5.284 30 20 JKED C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1)Oc1ccccc1 1829693323 ZDVNOFYRNDKOLJ-CJFMBICVSA-N 494.035 5.303 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)c1 1829864583 FIGDLORAZFTDKK-VGOFRKELSA-N 453.970 5.107 30 20 JKED CC1(C)CCC(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)COc3ccccc3C#N)CC2)CC1 1830426547 RKTQXXGUJAPKKN-RUZDIDTESA-N 479.665 5.163 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721091 XEFWVUJJMPCSQS-DFBJGRDBSA-N 496.076 5.626 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1831446611 NAMXPJKKDOBTOY-IBGZPJMESA-N 495.567 5.071 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)C(F)(F)F 1831450464 BFMATAUSQUXTTI-OAQYLSRUSA-N 494.945 5.082 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686930 JQJREFFUPYZRFZ-FLIQFMKDSA-N 493.511 5.036 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)nc3ccccc23)CC1 1832028697 WHWYEVDBUMXCPO-XMMPIXPASA-N 466.025 5.315 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)c1 1832632648 AESOINIMTYQQEW-RBTNQOKQSA-N 495.627 5.251 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c1 1832634457 RURWWXHHYNFDNC-NBTBZNCOSA-N 461.650 5.373 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)c1 1832635387 CLJQMHKUCHUSKY-SIBVEZHUSA-N 479.571 5.068 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3Br)CC2)C1 1832721833 HJYUPNDLIZEAQT-FQEVSTJZSA-N 479.846 5.302 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(F)CCCC=C3F)CC2)cc1C#N 1832984850 BLSIPSAUVSMPAB-LXFBAYGMSA-N 499.602 5.324 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)CCCCC)CC2)CC1)c1ccccc1 1838417597 GDGGSEDFSAPYKH-CUBQBAPOSA-N 480.693 5.399 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(-c4ccc(CCCC)cc4)cc3)CC2)CC1 1838659410 SIPUKCXTDPSTHY-UHFFFAOYSA-N 488.672 5.885 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C1 1846266696 HCKSYWCIMLXWAF-AREMUKBSSA-N 497.639 5.261 30 20 JKED C=CCn1c(SCC(=O)O[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9847903 XZXAIKPODVVWQE-CQSZACIVSA-N 491.400 5.100 30 20 JKED Cc1cc(C(=O)/C(=C(\S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(N(C)C)cc2)c(C)n1C 10179219 RKLVLISEJQHDBZ-UHFFFAOYSA-O 476.453 5.353 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)nnc1-c1ccc(Cl)cc1 10224652 OHFQUZUIVSHWMF-UHFFFAOYSA-N 496.036 5.141 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 10836720 LBNOAKNSEKHKED-UHFFFAOYSA-O 489.492 6.585 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C#N 12575833 HHHNIOSKRRDWIX-SNVBAGLBSA-N 483.899 5.409 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c(C)c2c1 14621323 HEMIKENPKUVHMD-UHFFFAOYSA-N 476.583 5.531 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)n2C)cc1 16659471 ZPEDJKNZPDCENV-UHFFFAOYSA-N 478.622 5.017 30 20 JKED C=CCn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1cccnc1 18405289 BMCDQIRSVSZAID-XMMPIXPASA-N 451.555 5.724 30 20 JKED COc1ccc2c(c1)/C(=N/Nc1ncnc3cc(-c4ccc(Br)cc4)sc13)C(O)=N2 19342649 GEYYJBUQTLAUCN-UHFFFAOYSA-N 480.347 5.547 30 20 JKED Cc1sc2nc(SCC(=O)Nc3ccccc3SCC#N)n(C3CCCC3)c(=O)c2c1C 21179362 NSYTXAZQPLCFKA-UHFFFAOYSA-N 484.672 5.536 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(-c4nnco4)cc3)c2C#N)C1 36740860 WXBONMLGNJNODE-INIZCTEOSA-N 450.564 5.228 30 20 JKED COc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)ccc1S(C)(=O)=O 109480189 DEBYNORDZWNQQS-WYMLVPIESA-N 498.560 5.594 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccc(Cl)cc2)cs1 216009218 UFRMESZJUNUCNN-INIZCTEOSA-N 466.931 5.985 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1)c1nc(-c2ccccc2)cs1 302979588 SXFMHPSHBVNTAK-MRXNPFEDSA-N 484.509 5.430 30 20 JKED N#Cc1cc(F)ccc1CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 303227189 XFWGFUGXLBCCQP-UHFFFAOYSA-N 469.339 5.652 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)c2)c1 410327855 WXTTZNPNWHKHIR-NDEPHWFRSA-N 489.531 5.332 30 20 JKED CN(C)CCOc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 410402588 UHLHMUUQMFFLFY-DEOSSOPVSA-N 462.981 5.258 30 20 JKED COc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1NC(=O)c1cccc(F)c1 482488882 NJJJDFJUJSFUTL-UHFFFAOYSA-N 495.510 5.790 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)c1C#N 489229218 STWFKKNXIYEJFL-CQSZACIVSA-N 469.010 5.473 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 497143853 XRESJSZZMFKGIE-UHFFFAOYSA-N 477.480 6.037 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Sc3nccn3C)cc2)nnc1-c1ccc(Cl)cc1 498434130 OVBBDUFYLQAXIO-UHFFFAOYSA-N 497.049 5.400 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2CN2CCCC2=O)cc1Cl 500599308 STHJQIRWBZVTNQ-XMMPIXPASA-N 472.976 5.440 30 20 JKED CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)nnc1-c1cccs1 500754436 NDVIYYLDEIANRO-UHFFFAOYSA-N 475.599 5.730 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1)C(=O)N(C)CCC#N 501603984 DTHKUGINHYBSAR-CQSZACIVSA-N 493.942 5.459 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)s3)CC2)c1 501699682 QFPHJVKBXCIYHJ-UHFFFAOYSA-N 484.408 6.084 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 503540284 NWACQZVACXHULE-QHCPKHFHSA-N 451.507 5.973 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)CC2)c1 504638806 ZFZLSIGDHLIMRB-UHFFFAOYSA-N 484.503 5.191 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 508143782 UDLUKUVPJBOGOR-UHFFFAOYSA-N 494.598 5.577 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509899876 PUZGZZGFQUQVST-UHFFFAOYSA-N 479.584 5.515 30 20 JKED CCOc1ccc([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510243752 MAGCTSRRDIXIKT-HXUWFJFHSA-N 465.604 5.470 30 20 JKED CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 511910044 KOOYAXQTOGZNKN-UHFFFAOYSA-N 455.558 5.570 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(Br)cc4)c3)n2)cc1 512482070 AYQSERLMKONXHL-LJQANCHMSA-N 474.343 5.120 30 20 JKED C[C@@H]1CN(c2ccc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cn2)C[C@@H](C)O1 514465834 IZICJYNUXJADKR-PMAPCBKXSA-N 460.965 5.256 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)cc1 514584971 KJZXMZJOSRRPEU-VOIUYBSRSA-N 484.025 5.131 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 516463802 ZFDHANVFWAFXSD-LBPRGKRZSA-N 473.524 5.142 30 20 JKED CC(=O)CCc1ccc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c(C)c2c1 518151581 SEUYXFJCZSRAIZ-UHFFFAOYSA-N 474.504 6.540 30 20 JKED C=CCN(C(=O)Nc1ccccc1Oc1cccc(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 518255145 GYEBVLDKTVGYFY-GOSISDBHSA-N 458.497 5.375 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 520826148 BLIAWQSVKYCMSJ-MRXNPFEDSA-N 494.414 6.205 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 520835348 KNADLHPAGMYXCM-AUUYWEPGSA-N 462.402 5.488 30 20 JKED Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 522870223 UXHZYDHSDTUPEK-UHFFFAOYSA-N 484.604 5.233 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccnc(OC3CCCC3)c2)cc1 523130644 JXZHWLOFIPRMKO-UHFFFAOYSA-N 458.537 5.326 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2cc1OCc1c(C)noc1C 524286888 GOGHDWOBERQALN-UHFFFAOYSA-N 469.541 5.184 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 524388434 CWGCMNYSCSQFAC-UHFFFAOYSA-N 482.565 5.336 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 557541513 QNEUNRZGRFWALN-CYBMUJFWSA-N 498.452 6.414 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)c1cccc(C(F)(F)F)c1 588342659 BEMWEKOJLADAEF-INIZCTEOSA-N 496.379 5.360 30 20 JKED Cn1ccnc1Sc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 590655116 KODMVCGJFVFVNH-UHFFFAOYSA-N 456.596 5.988 30 20 JKED CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c(-c2ccccc2Cl)n1 595127459 QSNHOPJBGWKZIG-OAHLLOKOSA-N 467.907 6.193 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 603740198 WALHTGADAAYEKT-LJQANCHMSA-N 494.473 5.060 30 20 JKED CCCS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 603757731 JYDAZNCSVUNHGG-UHFFFAOYSA-N 493.532 5.060 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 603831098 AKJYWTROYGUOIQ-UHFFFAOYSA-N 453.464 5.715 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 604362503 RTDXQOKDGOXTHO-GJZGRUSLSA-N 471.401 6.382 30 20 JKED N#CCCn1cc(C(=O)NCc2cccc(Oc3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 604450534 LWBZFTYVTWAJMS-UHFFFAOYSA-N 467.485 5.094 30 20 JKED N#Cc1ccc(NC(=O)CS(=O)(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 608784441 KLOFQWAHWBAPKP-UHFFFAOYSA-N 459.354 5.008 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 608795545 CJAZLYHEBFQDET-OAQYLSRUSA-N 494.551 5.185 30 20 JKED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Cl 608804806 MADJDBYODMYTMA-KRWDZBQOSA-N 477.948 5.651 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCCCc3nc4c(s3)CCCC4)c2)cc1 608914796 ADVBKRXEXZPARO-UHFFFAOYSA-N 460.603 5.421 30 20 JKED Cc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1CCc1cccs1 609009379 UZRSENHWUJUOEP-CQSZACIVSA-N 471.677 5.070 30 20 JKED N#C[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(OCc2ccccc2)cc1 609172980 GWDYTDWWHHSGQQ-AREMUKBSSA-N 483.955 5.124 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 609377698 CLXVHKBCLBAKJV-UHFFFAOYSA-N 450.873 5.803 30 20 JKED CCCn1c(=O)n(CCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2ccccc21 609378386 FLOBDIFSCHUUPS-UHFFFAOYSA-N 476.524 5.266 30 20 JKED COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)c2c[nH]c3ccccc23)cc1 609399849 RSYUBQFPPIIHFV-JOCHJYFZSA-N 498.608 5.069 30 20 JKED N#C[C@H](NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1cccc(Cl)c1Cl 609414446 PKGMWERBWMLVER-SFTDATJTSA-N 483.355 5.266 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)s2)cc1OC 613319549 GPIKTDFVRUYOSE-QGZVFWFLSA-N 496.013 6.403 30 20 JKED O=C(c1ccc(-n2nccc2-c2ccc(F)cc2)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618826016 VUOBCTXRENCUEI-IAGOWNOFSA-N 485.403 5.881 30 20 JKED C=CCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1nc2c(s1)CCCC2 623331665 CNPZKSZAQMYLQM-UHFFFAOYSA-N 484.975 5.525 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(C#N)c(Cl)c1 726407956 WHEHQNQFQAHHDR-QFIPXVFZSA-N 499.036 5.297 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2ccccn2)c1 726413941 WQIDOJLIEYPCHX-QHCPKHFHSA-N 489.000 5.185 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)n2ccc(=[N+](C)C)cc2)c1 726573124 MHNYZYHDEICCAR-UHFFFAOYSA-O 488.636 5.396 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 726756129 ZIVRHBHDMCDJCU-UHFFFAOYSA-N 483.416 5.312 30 20 JKED Cc1nc(/C=C\c2cn(C)nc2-c2ccncc2)sc1C(=O)/C=C\c1cn(C)nc1-c1ccncc1 726849222 ZXHVUVIQJYQJII-PEPZGXQESA-N 493.596 5.109 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)cc1Cl 726892329 SWMAEERPNVADTN-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 727233628 TVXWTRFWVDFXLX-PWSUYJOCSA-N 458.383 5.978 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)cc1 727306006 ZUDLZQIQVYRDEV-SATIQFTFSA-N 463.581 5.754 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCO[C@@H](c3ccccc3F)C2)c1=S 727423915 PIVKMBBMSVNNKO-OAQYLSRUSA-N 474.989 5.003 30 20 JKED CCOc1ccc(OCC)c(NC(=S)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 727979303 YSAOPYCCOVUWNK-UHFFFAOYSA-N 461.587 6.052 30 20 JKED O=C(COc1ccc(C(=O)/C=C\c2csc(-c3ccc4c(c3)OCO4)n2)cc1)Nc1ccccc1 728439848 PFSMKKZRPDCGQB-XFXZXTDPSA-N 484.533 5.452 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CCCCC#N)C1=O 728776922 HARDFGVETVPXTR-NRFANRHFSA-N 485.009 5.311 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCCCC#N)C2=O)cc1Cl 728777808 PCYUVVOVTNOIGV-FQEVSTJZSA-N 472.973 5.442 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCCCC#N)C1=O 728778571 SSCDUNWTLUCVBN-FQEVSTJZSA-N 472.973 5.442 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc2c(c1)CCC2 728779576 JWNPUJUYQQPDAB-JOCHJYFZSA-N 481.021 5.483 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](c2ccccc2)C2CCC2)cn1 729145182 JKGSZNONTYGOGX-ZCYQVOJMSA-N 487.629 5.405 30 20 JKED COc1ccc(-c2ccc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)c(F)c2)c(F)c1 730446982 HPQAWFQSTXCMGV-UHFFFAOYSA-N 494.548 5.908 30 20 JKED C[C@H](Sc1ccc(Br)cc1)C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731074221 LPSQLXZGFOZLFM-CABCVRRESA-N 493.448 5.363 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2)s1 731305786 PGZHSSHLWOZCIN-HXUWFJFHSA-N 486.018 5.576 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1ccccn1 731307212 DKWFZGBJAMZWIW-GAJHUEQPSA-N 474.586 5.071 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(F)cc2F)s1 731309939 XYWCTPVAQRXHCK-HXUWFJFHSA-N 487.553 5.201 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2cc(C)ccc2F)cc1 744116052 PHLQVPUBJNYSQT-UHFFFAOYSA-O 492.640 6.104 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccccc2C(F)(F)F)C1=O 745581923 ZOGWXEAEVIKDKS-MRXNPFEDSA-N 490.334 5.280 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cc(C)ccc1F 746694031 KTFHILQBHRFPQX-OAQYLSRUSA-N 475.561 5.050 30 20 JKED COc1ccccc1-c1nc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 746918574 SZYJEYQWFLSFLM-AWEZNQCLSA-N 481.599 5.205 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2nccs2)C1=O)Nc1cccc2ccccc12 747600026 MQUXINPQGKFLPK-JOCHJYFZSA-N 486.622 5.499 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H](C)c3ccccn3)C2=O)cc1 837301937 QDIHMJZNBAEFGP-MHECFPHRSA-N 486.597 5.314 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@H](C)c2ccccn2)cc1 837835375 GJVNPEHQIGKLGB-JPYJTQIMSA-N 493.032 6.073 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1 837887858 OHXSAQFSYXUINW-VFNWGFHPSA-N 482.968 5.596 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2cccs2)c1 857078735 USJPAIVCYXOBMC-LJQANCHMSA-N 460.555 5.088 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c4ccc(F)cc4)cc3)o2)cc1 857835860 WRSMLJXYVYRXRC-IBGZPJMESA-N 498.514 5.343 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(OCc3cccnc3)c2)no1 904503727 WOBKEDPDLHSEHD-IBGZPJMESA-N 456.930 5.419 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-n3cccn3)cc2)cs1)c1ccc(F)cc1F 912858849 HOINXULJTCKQEC-POHAHGRESA-N 450.470 5.188 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 914543730 LMJDSSOHHRWHQT-VWLOTQADSA-N 487.625 5.610 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCC(C)C)c1 914555886 NXUKHKNLWYZZLY-JOCHJYFZSA-N 484.597 5.181 30 20 JKED Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1cc(Cl)ccc1OCc1cccnc1 914694125 YQLNDDXBQGXMRB-UHFFFAOYSA-N 456.358 5.397 30 20 JKED COCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2OC)cc1 914773144 ZJACAIFJLQRETK-XMMPIXPASA-N 489.597 5.002 30 20 JKED Cc1ccc(-c2nc(CC(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)cs2)o1 914963843 JHRPLSMONYMEIP-UHFFFAOYSA-N 480.590 5.231 30 20 JKED Cc1csc(SCc2ccccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)n1 915086210 RQSMXPDPYUOGNR-DEOSSOPVSA-N 455.608 6.652 30 20 JKED COc1ccc(C)cc1CN1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 915351557 DYNHHXMHYXUGQA-AREMUKBSSA-N 454.574 5.009 30 20 JKED C[C@@H](OC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)C(=O)Nc1sc2c(c1C#N)CCC2 915582891 XGSFDSPPNDZNKG-CYBMUJFWSA-N 492.601 5.295 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(F)cc2)c1 916204660 CLIRBNMTJSGMAY-HSZRJFAPSA-N 493.560 5.003 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(C2CCCC2)C1=O 916209855 SLHPSVWPGWSIMU-HXUWFJFHSA-N 457.983 5.252 30 20 JKED Cc1ccccc1-c1nn(-c2ccccc2)cc1C=Nn1c(S)nnc1[C@@H]1COc2ccccc2O1 916321173 TVSDCBZRDDGHPC-DEOSSOPVSA-N 494.580 5.123 30 20 JKED COc1ccc(-n2c(SCC(=O)[C@@H](C#N)c3ccccc3)nc3ccccc3c2=O)cc1Cl 916622915 REVVJWKUVHBVKK-IBGZPJMESA-N 475.957 5.016 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916847174 MZBRCFIFQMUQFQ-INIZCTEOSA-N 464.547 5.113 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)c1 916893046 QQACMBUXKRRGPO-KRWDZBQOSA-N 455.333 5.147 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 916902888 IHUUDYCWZKMRDT-YOUPJXQBSA-N 471.439 5.583 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1=Cc2cc(Br)ccc2OC1 916908083 LCPXPCBZUJBTCX-HXUWFJFHSA-N 489.325 5.365 30 20 JKED CCCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 916928921 YODIFFOGPRTEKL-HNNXBMFYSA-N 483.779 6.186 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccco3)C2=O)cc1 917679058 CKUNQLAPEKMHPC-OAQYLSRUSA-N 482.993 5.160 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)cc1 917681297 NRUNTZXICZUIQJ-HSZRJFAPSA-N 476.577 5.252 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917686973 JHJMTMGDSSQFAG-AKFKNWHVSA-N 494.636 5.030 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 917797971 LBJPORKLZFFOOW-XCZPVHLTSA-N 497.595 5.042 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(O)c2)c1 918376131 WAXZWEVIAMRWJZ-UHFFFAOYSA-N 491.396 5.010 30 20 JKED O=C1CCc2cc(C(=O)COC(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)cc2N1 918982974 SKRURRDMPRIEDV-DAFODLJHSA-N 489.343 5.187 30 20 JKED CC(C)CN(CCC#N)Cn1c(=S)oc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 919944149 UPLUFPHZEIEUDG-UHFFFAOYSA-N 479.027 5.247 30 20 JKED Cc1ccccc1Nc1nc2sc(C(=O)OCC(=O)Nc3ccccc3SCC#N)cc2s1 920670447 FPKXBAHTCZCFKR-UHFFFAOYSA-N 494.623 5.821 30 20 JKED N#Cc1ccc(CN(Cn2nc(-c3cccs3)n(C[C@H]3CCCO3)c2=S)CC(F)(F)F)cc1 921188672 CLLKRKPINLSFDK-GOSISDBHSA-N 493.580 5.215 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 921219788 ULWPTFREEGYPTA-HNNXBMFYSA-N 488.396 5.918 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CCC3)cc2)C1 1785808864 JGWSSLLDSLEAGH-AVRDEDQJSA-N 469.626 5.026 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(Cc4ccccn4)CC3)CCC2)cc1 1785841008 XEINOIIQXRBZTJ-UHFFFAOYSA-N 488.676 5.420 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CCC2)cc1 1785843072 AAASBKLZBSOESQ-HSZRJFAPSA-N 487.644 5.162 30 20 JKED CC(C)(C)n1ncc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c1Cl 1787130580 PXOPQUOJCMLOQO-UHFFFAOYSA-N 475.980 5.225 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)CCC1 1787702506 OGZXZKLRLUYGDT-UHFFFAOYSA-N 470.569 5.026 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)COc4c(Cl)cc(Cl)cc4Cl)CCC3)cc2)CC1 1787877550 MWGQPSIYCBKZHN-UHFFFAOYSA-N 492.790 5.463 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)CCC2)cc1 1787885128 UANVOZPYCDIIFQ-UHFFFAOYSA-N 481.478 5.147 30 20 JKED Cc1ccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)cc1 1788360102 PMJZYFTWHZXOGP-UHFFFAOYSA-N 450.542 5.109 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3c(C)noc3-c3ccccc3)cc2)CCC1 1788670760 HWDYEQGPYZWHEA-UHFFFAOYSA-N 461.587 5.317 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(NC(C)=O)cc3)cc2)CCC1 1789175352 NBOHXTFHTOCNOP-UHFFFAOYSA-N 459.590 5.090 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCC2)cc1 1789455850 FUVAYCAUUNSKQI-JOCHJYFZSA-N 475.545 5.046 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccccc3OC(F)(F)F)CCC2)cc1 1789573860 BGYZGRAFNPLVQF-WKULSOCRSA-N 485.462 5.045 30 20 JKED C[C@@H](C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1)c1ccc(Cl)cc1 1789574077 PFEOPVWFFDAZLJ-GBYSFBBLSA-N 463.965 5.290 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4C(F)(F)F)CCC3)cc2)c1Cl 1790083722 INPDUTGNUATUNB-UHFFFAOYSA-N 498.892 5.687 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c(Cl)ccc5c4OCO5)CCC3)cc2)c1 1790257071 FNEUMWKXIGMQRE-UHFFFAOYSA-N 473.916 5.002 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCC34CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1790448439 LEIOSWUMSMYYFZ-OAQYLSRUSA-N 481.637 5.124 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)NC(=O)CC5)cc3)CCC2)c(Cl)c1 1790982642 KXCINNVNCNYIDQ-UHFFFAOYSA-N 498.970 5.158 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1)C(F)(F)F 1791304596 HBIXOSMCKZALOU-UHFFFAOYSA-N 465.475 5.615 30 20 JKED COc1ccc(F)cc1CC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791683194 YAHWKHIGVRISJD-LJQANCHMSA-N 485.559 5.452 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)c(Cl)c1 1792143139 XDOZZLVVLSKUKW-UHFFFAOYSA-N 473.960 5.211 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(-c6nccs6)noc5c4)CCC3)cc2)CCC1 1792230453 OVWGOALNMJSGMG-UHFFFAOYSA-N 497.580 5.393 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(-c2ccc(F)cc2)c1 1794763980 PDYCFHWJNANBAH-BKFWDETESA-N 479.672 5.124 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2csc(-c3ccccc3)n2)c1 1797179556 CDAPKUZGMOFQTD-OCYFJXFZSA-N 470.598 5.003 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn3cc(C(F)(F)F)cc(Cl)c3n1)C2 1798334820 LWTHNLSWIMVMDR-MHORFTMASA-N 494.945 5.027 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 1799290682 JAJJTSZTDBABCJ-WKCHPHFGSA-N 496.051 5.002 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)cc1 1802686777 RBDNMGZJWQYMPS-ICAJTTLISA-N 472.633 5.083 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c1Cl 1802709710 CCIVSQHAHPDHLF-SBUREZEXSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@@H]1c1cccnc1 1803083354 BKWRLJDBNOZLSB-RCZVLFRGSA-N 478.036 5.241 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1804175246 IQPRFEALNRYCMH-BWKNWUBXSA-N 498.092 5.172 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1 1805457526 BPDXJDUGQMGGIR-UHFFFAOYSA-N 473.539 5.190 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1808147824 LASZPIMDRLTBQB-UKILVPOCSA-N 489.660 5.497 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 1808976086 NVLKDDBPFYCJIW-YWEHKCAJSA-N 474.564 5.048 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1)c1ccccc1 1809164053 UDPAFDOUHGTEHZ-ATIYNZHBSA-N 457.618 5.233 30 20 JKED N#CC1(C(=O)N2CCCC3(CCN(C(=O)c4cccc([C@@H](F)c5cccc(F)c5)c4)CC3)C2)CC1 1809499734 GOCRTJPOBUOXIE-XMMPIXPASA-N 477.555 5.033 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810271290 FNEJKDSBILTJSY-LLZJGCNPSA-N 469.746 5.355 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc3ccsc3[nH]2)[C@@H]1c1cccnc1)c1ccccc1 1810443377 HKYRCFCDMDBTGZ-RMTZWNOUSA-N 496.636 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)[C@H]1c1cccnc1 1810504479 ZIPFPPFVTNMNEJ-FBLLAGFSSA-N 480.052 5.463 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)C2)CC1 1810729412 URSGDVYVQCJMHL-UHFFFAOYSA-N 468.041 5.743 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1811117900 GSENPMZAUAIYRN-GCJKJVERSA-N 457.977 5.186 30 20 JKED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1811411387 ZGEYDTOPCQLULF-YIXXDRMTSA-N 490.648 5.278 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811720460 CUELGCAMWVWIQM-OUTSHDOLSA-N 481.596 5.387 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@H]2c2cccnc2)CC1 1811872798 GXCYSPQXGZQFNZ-PRAZENRCSA-N 498.549 5.118 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1ccccc1 1811907976 RWUMTQMIFKRGHQ-DOEKTCAHSA-N 486.015 5.252 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1 1813220918 IBMGYNOCJLTJNB-LSYYVWMOSA-N 471.645 5.101 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c(Cl)c1 1813757785 YYLHMXLFGLMCRH-RLWLMLJZSA-N 484.987 5.117 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4c(Cl)cc(C)nc4c3)[nH]n2)C1 1814395468 WCCLRZLERWTOFF-QFIPXVFZSA-N 463.969 5.192 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cccc(C#N)c2)n[nH]1)c1ccccc1 1814739282 QWBSLUWRMNQSJU-NBGIEHNGSA-N 469.589 5.100 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3cccc4ncccc34)n[nH]2)c1Cl 1815179983 YQYVLJMTAZSKTI-QHCPKHFHSA-N 498.974 5.032 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1816461964 GYJKDIJLHHAILX-HSZRJFAPSA-N 487.604 5.419 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)[nH]n1 1818116132 XUFKONSOKGLDNC-GRFBERKISA-N 494.661 5.509 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3cnccc3c2)n[nH]1)c1ccccc1 1818644712 OKEACWXKTOAHJW-XNMGPUDCSA-N 491.595 5.461 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985121 BUZQHSKOTCQSEZ-GOSISDBHSA-N 495.452 5.427 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1819385203 MUTVPQMLEGTHJC-OAQYLSRUSA-N 476.653 5.513 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2 1819597482 AKUSQGAWSSKQKM-ZIAGYGMSSA-N 487.050 5.400 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)nc3Cl)n[nH]2)c1 1819680384 CTVRAGFNDZUSQA-IFXJQAMLSA-N 497.386 5.358 30 20 JKED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)n[nH]1 1820206175 KRYLQZKDKIINFE-NRFANRHFSA-N 487.526 5.696 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)n1 1820217577 FBOLQWAKHYKDFV-GOSISDBHSA-N 482.997 5.134 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c(Cl)c1 1821183285 UVRZJWDQKIAJMP-JOCHJYFZSA-N 461.953 5.057 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821307809 ALJGSRYFGCPARI-NRFANRHFSA-N 485.510 5.374 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)cc3F)[nH]n2)c1 1821325886 STMNQICZUSDCBN-DEOSSOPVSA-N 489.551 5.136 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c(F)c1 1821328298 JZMRFAIBWAVIPI-XMMPIXPASA-N 489.551 5.022 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)n[nH]1 1821524281 OIQRYAIQCNXDGC-YKSBVNFPSA-N 497.599 6.225 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1822582577 MSYZFPKBHAVRLM-FQEVSTJZSA-N 474.964 5.100 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)cc2c1 1823214136 AJDSCIILFYCSFZ-SBUREZEXSA-N 497.555 5.411 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)[nH]n2)c1 1823216232 REKYLTWDOIWXKQ-KWQRXZIBSA-N 467.573 5.146 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 1824054534 YKUWOSDMJTZELP-DEOSSOPVSA-N 481.999 5.217 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(=O)OC(C)(C)C)CC1 1824216289 IDXPTCYRUKQWBJ-QFIPXVFZSA-N 462.675 5.111 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)cc1 1824238020 XYMAAKJYKLHEDP-OASJLCFRSA-N 491.582 5.068 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1824959043 OIHMSBDQQLFGQJ-FQEVSTJZSA-N 477.095 5.707 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)CC1 1825961494 VOKPJDJFEOBFNW-HXUWFJFHSA-N 468.560 5.833 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1826439275 QBDWGHMFQPEXMT-ZJSXRUAMSA-N 493.475 5.760 30 20 JKED Cc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1826493708 PLZNZUCKUNABSM-MHZLTWQESA-N 487.644 5.130 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827337120 OTWQFZMQXVCBIY-MHZLTWQESA-N 471.645 5.484 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)CC1 1827414513 COCNUNLDQZMBRG-OAQYLSRUSA-N 453.583 5.160 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)CC1)c1ccc(O)cc1 1828189994 AVZIGVNWOXXDNZ-RPLLCQBOSA-N 498.623 5.569 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1828400946 PZJRHIRKUIBPOA-GSDHBNRESA-N 476.020 5.249 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)CC1 1828713552 JNEJTEFYILWHSH-HSZRJFAPSA-N 485.550 5.290 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)CC1 1829369762 GFQYQIQEVBIKEP-JTHBVZDNSA-N 474.045 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)CC1 1829424659 XJSKCLCYBFTHIJ-MJGOQNOKSA-N 469.573 5.164 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)nc2)CC1 1829520025 QCCKLEHHVRUNLQ-XCZPVHLTSA-N 471.645 5.750 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2Cl)CC1)c1ccccc1 1829862409 IBZDCTIJNUMQFJ-VWNXMTODSA-N 467.009 5.364 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829900361 HWPSLBUYZUMDJK-NRFANRHFSA-N 467.437 5.210 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830451818 HEAUXJXCVZHETF-MHZLTWQESA-N 457.618 5.176 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536230 CTOAQMMQKPVIJT-OAQYLSRUSA-N 466.519 5.271 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c2O1 1830629147 UPRBDWBRZIGJML-AREMUKBSSA-N 485.628 5.013 30 20 JKED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)CC1)c1ccc(Cl)cc1 1830715420 WBVZOPDSJWJFKL-CJAUYULYSA-N 481.999 5.388 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc(C)c1O 1830723696 MWOJSJBINMQPLH-XMMPIXPASA-N 480.008 5.081 30 20 JKED CC(C)(C)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755336 XAUZKTKYYFEUOF-NRFANRHFSA-N 463.544 5.247 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831018968 FXCQGQMJSWKNFH-JOCHJYFZSA-N 475.967 5.333 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1)C(F)(F)F 1831453533 CAPSWDYVYMBBEB-LJQANCHMSA-N 464.553 5.562 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)ccc2C)CC1 1832566973 VFGIUOQPORKZTF-LOSJGSFVSA-N 497.680 5.006 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1832629091 ISTRSNNEURHRPQ-VVYJVAHXSA-N 494.639 5.742 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 1832632753 BNWHMDOXKJYLTM-QIPDWXLVSA-N 463.666 5.763 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)CC2)c1 1832640944 OAWGUWOWKRUPSW-BXKMTCNYSA-N 483.534 5.278 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)Cc3cccc(CCCCC)c3)CC2)CC1 1835682531 XNHZUEXUEVRMTG-LJAQVGFWSA-N 493.736 5.302 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1837685554 RLMWKQXNTOTRLY-GBXCKJPGSA-N 476.608 5.026 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1837685858 WELDXCQVZOTKDA-AOJNWGRGSA-N 454.655 5.027 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Cl)cc(Br)c3[nH]1)C2 1844203709 FVZRYRXZECWHMX-QGZVFWFLSA-N 490.829 5.169 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc(Cc3ccccc3)cc2)cc1 10174408 FAZBYLUNAFYEGA-UHFFFAOYSA-O 479.669 6.741 30 20 JKED C=C(C)CN(CC)C(=O)COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)c(OC)cc1OC 10794589 ZKISAGYYSLRDBJ-UHFFFAOYSA-N 496.991 5.566 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)Nc2cccc(Cl)c2)cc1 10830154 YBKVEUFCUBOGPT-UHFFFAOYSA-O 464.825 6.548 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1Cl)[n+]1cccc(O)c1)c1ccc(Br)cc1 10836217 YMUBPWKXPUTXJW-UHFFFAOYSA-O 497.221 5.800 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2 11153491 VYMMOFPEJRXFNK-UHFFFAOYSA-O 451.562 5.799 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(F)c(F)c1 11159059 ZHBUTQLSSYRPHY-UHFFFAOYSA-O 454.305 5.316 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)nc2scc(-c3cccs3)c2c1=O 11381297 GNIYUIGQESORNN-AWEZNQCLSA-N 495.651 5.694 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/C(=O)c2ccccc2)c(Br)s1 15187923 JWERBCPEHQUJIJ-ZHACJKMWSA-N 495.320 6.505 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 15316764 PEKYIYBGDPUMFH-UHFFFAOYSA-N 491.638 5.445 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)nnc1-c1ccc(F)cc1 16813545 LANCDLXXTPMUAL-QHCPKHFHSA-N 474.561 5.751 30 20 JKED C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16938631 GBVDRKISDSASDF-INIZCTEOSA-N 499.015 5.037 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1cccnc1 18405324 ZYVZYSWXRIEBPX-LJQANCHMSA-N 471.586 5.224 30 20 JKED C=CCn1c(SCC(=O)NC(C)(C)CC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 18482030 NKLJRXRPCMPXMI-UHFFFAOYSA-N 459.612 5.155 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 21120672 CGJHHHPNOUYGTG-UHFFFAOYSA-N 465.579 5.376 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 21514522 LNWNOWPWJHGCKP-UHFFFAOYSA-N 453.795 5.684 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1 21515182 SMKHGQMVKACJNX-UHFFFAOYSA-N 482.940 6.367 30 20 JKED C=CCn1c(C)nnc1SCC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OCC 21989229 MJDXFXYUKZPGRK-UHFFFAOYSA-N 477.011 5.062 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccccc1 36275061 VPUFCINNCMJEQA-UHFFFAOYSA-O 460.804 5.749 30 20 JKED Cc1ccc([C@@H](NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)c2cccs2)cc1 45428657 CERTUHYFSCMOEW-HXUWFJFHSA-N 461.534 5.648 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccnn2Cc2cccc3ccccc23)CC1 69646655 TUAQHLWSTFNGLL-UHFFFAOYSA-N 492.539 5.059 30 20 JKED CCN(C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)[C@@H](C)c1ccc(C#N)cc1 108259192 QOAHPKQLTOCHBJ-INIZCTEOSA-N 451.979 6.057 30 20 JKED CC(C)(C)n1cc(C#N)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 195686712 OTVUWUUMDXKEMO-UHFFFAOYSA-N 456.575 5.093 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)sc2nc(C(F)(F)F)ccc12 195687655 QQVHTZUDCFZVHY-GFCCVEGCSA-N 488.516 5.290 30 20 JKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 480155428 MTYYATJBHGNJPQ-UHFFFAOYSA-N 470.573 5.087 30 20 JKED O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 499323446 FWFNZOUDRCKTDP-UHFFFAOYSA-N 452.717 5.350 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 500740106 SVJKVPQJDXCPOF-UHFFFAOYSA-N 489.597 5.015 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)c3ccc(OCc4ccccc4C#N)cc3)cn2)c1 501400107 OUAPBLJOHFPJMK-UHFFFAOYSA-N 465.509 5.263 30 20 JKED C=CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1nc(C(=O)OCC)cs1 501936419 DXMJYCVVARRUDE-UHFFFAOYSA-N 493.416 5.191 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(-n2cncn2)cc1 503833316 SJTQNBGELZTEPL-UZUQRXQVSA-N 456.937 5.459 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 508150988 YGXVQFHPFUHGQK-UHFFFAOYSA-N 452.514 5.199 30 20 JKED Cc1cc(N2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)nc(C(C)C)n1 510007340 UURGIUGCIHQFOT-HSZRJFAPSA-N 489.023 5.571 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc1 510523360 UEFVWXRWGLDOHX-QFIPXVFZSA-N 460.622 5.054 30 20 JKED CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511337698 BDOMSAKUEWBVIM-HSZRJFAPSA-N 457.530 5.025 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 512850816 LAGCECZWJDZTBI-UHFFFAOYSA-N 483.446 5.246 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 513389814 KUMDHMSAGGDPIK-AZGAKELHSA-N 490.003 6.217 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)s2)cc1 513943223 YYXLLGGSKXHKNG-UHFFFAOYSA-N 481.556 5.851 30 20 JKED Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 514069310 ZWMWDGOVTMKNSE-UHFFFAOYSA-N 467.529 5.276 30 20 JKED Cc1ccc(-n2c(SCC(=O)c3cn(CCC#N)c4ccccc34)nnc2-c2ccncc2)cc1 514874572 XCDBXYBNKHZKBU-UHFFFAOYSA-N 478.581 5.481 30 20 JKED C=CCn1c(Sc2nc(CN3CCCC3)nc3sc(C)c(C)c23)nnc1-c1ccoc1C 515164276 VMGLVVPGTLYQHN-UHFFFAOYSA-N 466.636 5.401 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 518129928 GCKAWXWDUNXMLR-INIZCTEOSA-N 474.611 5.685 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1OCc1ccccc1Cl 518516624 PFQRKUHCYAEZGU-NRFANRHFSA-N 499.979 6.413 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519988464 TVVNWOOXTBALGS-UHFFFAOYSA-N 493.361 5.524 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 520137632 AQBPDZQJAGNNED-UHFFFAOYSA-N 456.502 5.460 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 521208517 ZINNGPIMVPMFQV-ZDUSSCGKSA-N 477.537 5.946 30 20 JKED CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 521615988 LSSBYDIVNMXWIY-CQSZACIVSA-N 473.476 5.233 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1C 524121932 RSVSAJDCTOWLEZ-UHFFFAOYSA-N 475.552 5.784 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 524572551 GBKCIVKAAKHNGE-IBGZPJMESA-N 480.362 5.587 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 603600878 JHLWETUEHZIQNQ-UHFFFAOYSA-N 465.353 6.344 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1-c1cccc(C(F)(F)F)c1 603624184 VEUKMRULLZWXIL-UHFFFAOYSA-N 463.419 5.511 30 20 JKED CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C(C)C)cc1 603704674 RTLGPQMLPVNPHL-DEOSSOPVSA-N 456.546 5.321 30 20 JKED C=CCn1c(SCc2csc(C(=O)OCC)n2)nc2cc(-c3ccccc3)sc2c1=O 603722359 KHHGRBPGNLDCBB-UHFFFAOYSA-N 469.613 5.237 30 20 JKED CCN(C(=O)c1cncc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)c1)[C@@H](C)c1ccc(C#N)cc1 603737355 BXGQOLXOHAZFBV-SFTDATJTSA-N 479.584 5.272 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)c3cc4ccccc4n3Cc3ccccc3F)CC2)cc1 603783396 XHOFLZUFGCUWLV-UHFFFAOYSA-N 466.560 5.048 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2sccc2Br)cc1Cl 603971017 IJIIPXAGRULJSU-HNNXBMFYSA-N 467.797 5.620 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1 604003127 DGRNWMIADNXJLC-UHFFFAOYSA-N 463.537 5.243 30 20 JKED CCCCOc1ccc(NC(=O)COc2c(Br)cc(C#N)cc2OCC)c(C)c1 604198313 KBXQZERPXYFOLW-UHFFFAOYSA-N 461.356 5.224 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)cn2)c1 608864779 ATTBYUPGRBCUFG-QFIPXVFZSA-N 494.473 5.457 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1 608891113 UCDIULCBZWGEOG-UHFFFAOYSA-N 479.609 5.655 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609081045 YUWGWVATEQIBAX-MRXNPFEDSA-N 476.989 6.625 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 609378334 CUMPWFGGNUAZEB-INIZCTEOSA-N 495.954 5.855 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609435390 LQEUKBODXHYTIZ-IGQOVBAYSA-N 453.452 6.112 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)nnc1-c1ccoc1C 613907485 GXSHAJHNZWXMHF-QFIPXVFZSA-N 466.607 5.277 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542745 DDKJXCWCHIMIPF-VXGBXAGGSA-N 484.334 5.698 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 622092950 OWFPXLHVRZWQFP-ITGUQSILSA-N 462.837 6.310 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(C#Cc4ccccn4)c3)s2)cc1OC 640548694 GRNYLQZOSQXUIC-UHFFFAOYSA-N 455.539 5.183 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1OC 642282715 YGXQEXZUJNUETA-LBPRGKRZSA-N 464.266 5.091 30 20 JKED C=CCn1c(S[C@H](C)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)nnc1-c1ccccc1F 645077129 ALPXLBFPFDWWIM-UONOGXRCSA-N 481.622 5.959 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(COC(C)(C)C)c2)cc1F 726106514 OTDOIVRNSIZRJA-HSZRJFAPSA-N 497.636 5.250 30 20 JKED O=C(C[C@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 726398620 CYNOJPVMUWJSCP-UDLVZQBISA-N 498.530 5.129 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/[C@H](C)c1cccs1 726418875 FZHKBFPMBYOMJI-WWUPYOLOSA-N 480.055 5.136 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\[C@@H](C)c1cccs1 726422449 WDJAAHVBFPDVLQ-OJMJRNKJSA-N 483.581 5.813 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726423138 ZODYZAPTZVSZEF-VFEBEHMDSA-N 492.601 5.349 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2cc(C)ccc2OC)cc1 726569701 HVLSGQBAMBVGOC-UHFFFAOYSA-O 490.649 5.701 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccccc1Br 726571373 FSFITNZQUQDWSS-UHFFFAOYSA-O 499.841 6.147 30 20 JKED Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 726695525 GMLOJJCMSMFSJA-NLFFAJNJSA-N 458.993 5.952 30 20 JKED C=CCN(Cc1cccs1)C(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 728124103 FZZSJOBKYCZOGK-UHFFFAOYSA-N 453.530 5.602 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCCC#N)c1 728776708 DOXJTQROKUQEBH-FQEVSTJZSA-N 488.535 5.668 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2scnc2C)c1 729145311 KBKOBUGGUQCVPY-HXUWFJFHSA-N 482.606 5.368 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O 729146753 XOMGRKBNVUPHRY-CTNGQTDRSA-N 459.974 5.088 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1ccco1 730522925 WCUPUDWESCMWIE-HSZRJFAPSA-N 475.570 5.205 30 20 JKED Oc1c(Br)cc(Br)cc1/C=N\C[C@H](O)c1cccc(C(F)(F)F)c1 730733374 ZISSVCFUONYWMK-NRXNTNCPSA-N 467.079 5.089 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@@H](C)c3cccnc3)C2=O)c1 730944232 UFXULZUKONOMEW-MBSDFSHPSA-N 493.032 6.073 30 20 JKED Cc1ccc(-n2nc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c3c2CCCC3)cc1 731085934 VHLUXFSKHDVRPP-LJQANCHMSA-N 488.613 5.249 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 731335361 OGYUYVGVERDKNG-CQSZACIVSA-N 466.028 5.063 30 20 JKED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 746663148 BEADXXFJZHDEJV-SHLVRQGHSA-N 483.421 5.031 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cc3ccccc3[nH]2)C1=O)NC1CC1 746694118 POGWYLSUWNJDRD-DEOSSOPVSA-N 468.582 5.122 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747000408 PIJRQBBXDXOUNZ-SBUREZEXSA-N 465.475 5.519 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cscn2)cc1F 747600498 BHJLZYKVZKNKAL-IBGZPJMESA-N 490.532 5.029 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(N4CCc5sccc5C4)cc3)CC2)c1 749333778 UNFBDDVIJDJLBR-UHFFFAOYSA-N 485.613 5.065 30 20 JKED Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 749837185 AUHBVTPEHJNRPR-UHFFFAOYSA-N 487.553 5.163 30 20 JKED CCOc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCC(F)(F)F 750935437 TWELFHDYZCFPBW-UHFFFAOYSA-N 470.904 5.446 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nc2sccc2c1=O 825135288 QGPZNUGPWNAZBK-UHFFFAOYSA-N 498.054 6.219 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1ccccn1 837301893 PGAGDXGRWFYXPB-AOMKIAJQSA-N 480.540 5.390 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C2CC2)C1=O)Nc1cccc(Cl)c1Cl 838572026 USDWNMZXAXGNBK-MRXNPFEDSA-N 470.328 5.394 30 20 JKED Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 883979378 KHLDJQLMVAITQK-UHFFFAOYSA-N 476.364 6.094 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1C 914546502 QPPHUBFPYGYQNW-HYBUGGRVSA-N 472.614 5.098 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1nnc2n1CCCCC2 915100675 AZGHCLMVLLWGIM-NRFANRHFSA-N 459.500 5.240 30 20 JKED COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3sccc3Br)cc2OC)o1 915113067 MNIPYMHBTVBQJN-UTCJRWHESA-N 477.332 5.374 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(COCc3ccccc3)c2)C1=O)NC1CC1 915270138 PLNAGFGNGIRSDQ-AREMUKBSSA-N 499.636 5.204 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)cc1 915862133 JRBMCDMWWUGJHP-DHIUTWEWSA-N 475.495 5.187 30 20 JKED N#Cc1cccc(/C=C2/CN(C(=O)c3ccccc3Cl)C/C(=C\c3cccc(C#N)c3)C2=O)c1 915990801 YBTFLOYUOIKXRN-NQGGHMMCSA-N 463.924 5.275 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccco3)C2=O)c1 916210796 JHHNXIOVFUGVJC-HSZRJFAPSA-N 493.585 5.074 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccccn2)C1=O 916212921 UNUMDAFOMDOSJC-JOCHJYFZSA-N 495.004 5.213 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3Cl)N(C3CC3)C2=O)cc1OC 916213816 ICTXTKDFGNSJNY-IBGZPJMESA-N 494.400 5.133 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C(F)(F)F)c1 916218018 ZWXAIKBHWYSLMZ-GOSISDBHSA-N 499.942 5.274 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(OC)c(CC(=O)O)c2)c1 916546814 HMUMLJUKBYYBDI-XFXZXTDPSA-N 498.535 5.088 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916880585 COFYOVQYSAZZEL-GOSISDBHSA-N 452.898 5.149 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 916909605 PWKOHPFMYOAWIJ-QFIPXVFZSA-N 465.509 5.723 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CSc1nccn1-c1ccc(C(C)C)cc1 916910668 YFGJFYISEYLGFI-QHCPKHFHSA-N 474.630 5.560 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 916925476 KLLAAFZYFROXJO-GOSISDBHSA-N 478.961 5.409 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)nc1C 916961721 ZZPCAJLROHQCKF-OAHLLOKOSA-N 457.625 5.023 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCNC(=O)c3cc(F)ccc3Br)n2)cc1 916975242 WKIXZJAKHUKKHT-QGZVFWFLSA-N 486.366 5.017 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 917045065 XVKQEIAHFNQDKL-XHDPSFHLSA-N 463.868 5.198 30 20 JKED N#C[C@H](C(=O)CCn1cc(Br)cn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 917430920 JCPUATCXXMMCLM-CYBMUJFWSA-N 470.179 5.342 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)cs1 917540648 RRQNDLWWEIAYOX-UHFFFAOYSA-N 489.413 5.564 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1F 917698752 CNXVJKIZEBMUST-NZQKXSOJSA-N 495.551 5.257 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C(C)C)c1 917713718 PDEYTMJBHWKTPS-FQEVSTJZSA-N 493.551 5.436 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 917749254 BAFJIUPQTKACQL-MRXNPFEDSA-N 451.423 5.271 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 917841006 BLVNIZFNVAJGDH-INIZCTEOSA-N 456.477 5.133 30 20 JKED COc1ccc(/C=C2/N=C(S[C@@H](C#N)Cc3ccc(C)cc3)N(c3cccc(OC)c3)C2=O)cc1 917846546 UDHDUURRIZFSEB-HLHNIQGOSA-N 483.593 5.624 30 20 JKED CC(C)OCc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)oc2ccccc12 918163834 UAQCNOZFLBPEEI-ZZIIXHQDSA-N 497.617 5.203 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C/c2csc(COc3ccc(Cl)cc3)n2)SC1=S 918782273 BACIMKQIUHBLSV-NVMNQCDNSA-N 470.000 5.653 30 20 JKED O=C1CCc2cc(C(=O)COC(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)cc2N1 918982975 SKRURRDMPRIEDV-RJRFIUFISA-N 489.343 5.187 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1 920050124 XZLGAILOYFOGBP-UQBPGWFLSA-N 489.417 5.753 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc2ccccc2s1 920105862 GYVLGSCPQIMGKU-CQSZACIVSA-N 452.333 5.523 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2c(C)noc2C)C1=O 920353252 FETVHXJVRHAZLN-QHCPKHFHSA-N 492.601 5.077 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CCC3)cc2)C1 1785804465 HPLDGZUSSWOSPX-HSZRJFAPSA-N 483.653 5.416 30 20 JKED COc1ccc2c(CC(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5)CCC4)cc3)c[nH]c2c1 1786171541 PTMXWCZKUAXHLQ-UHFFFAOYSA-N 478.552 5.039 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3csc(-c4ccccc4)n3)CCC2)cc1 1786365982 BQRRUOUDSNMBON-UHFFFAOYSA-N 475.614 5.541 30 20 JKED COc1cnc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c(F)c1 1787143525 ITNHQVBWDCBZGF-UHFFFAOYSA-N 481.644 5.028 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)cc2)CCC1 1789295581 ZZMUEFKHDJGRMY-OAQYLSRUSA-N 496.533 5.869 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)SCC(=O)N4)CCC2)cc1 1789626108 JVSRMVCVNOEPRK-UHFFFAOYSA-N 477.630 5.471 30 20 JKED Cc1nscc1C(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790081916 OLZMBJLAYPCOOC-UHFFFAOYSA-N 450.951 5.038 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1790512548 FPCOLSSGYCRQMD-UHFFFAOYSA-N 483.568 5.006 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnn4c(-c5cccs5)ccnc34)CCC2)cc1 1791247635 BYEACLZKDRJYPA-GOSISDBHSA-N 485.613 5.418 30 20 JKED COC(=O)CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1791662891 KRHOYWLLFURYQV-UHFFFAOYSA-N 481.980 5.083 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5nccc-5c4Cl)CCC3)cc2)c1 1792123472 CUZHSZINCKGEPX-KRWDZBQOSA-N 497.986 5.856 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(NC(C)=O)ccc3Cl)cc2)CCC1 1792192003 NAUUVUNKJIEITB-INIZCTEOSA-N 453.970 5.258 30 20 JKED Cc1ccc(SCC(=O)NC2(c3ccc(NC(=O)COc4ccccc4C#N)cc3)CCC2)cc1 1792240801 UBROIYVWUNRTTI-UHFFFAOYSA-N 485.609 5.172 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1-c1cc(F)cc(F)c1 1796499599 GOBUZKAGIMVEJG-KOUNCHBCSA-N 467.560 5.271 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(-c2ccccc2)c2ncccc12 1796550083 WWMGHRZWTVXMRR-GNLZIIPMSA-N 468.601 5.046 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(F)F)cc2Cl)c1Cl 1799251029 UQEOEQBNBOIWAF-QDMKHBRRSA-N 494.325 5.032 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C2 1800222009 BOCIZWYXGLTFQI-ABQRKTDGSA-N 469.670 5.334 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2-c2ccccc2)[C@@H]1c1cccnc1 1802503387 OAGYABVULGLWLS-RPLLCQBOSA-N 482.628 5.456 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC4(CCCN(C(=O)CCc5cccc(C#N)c5)C4)CC3)c[nH]2)cc1 1805323914 AVILGNGHEZMNHY-UHFFFAOYSA-N 494.639 5.339 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)[C@H]1c1cccnc1 1810176239 VPDMPGBNQOPKKL-YAOOYPAMSA-N 459.634 5.296 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c(Cl)c1 1810278238 WZZNTBHHHGXISP-NVQXNPDNSA-N 496.127 5.414 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCNc2ccc(C)cc2C)[C@H]1c1cccnc1 1810368721 IBSNPAAFORTMNG-RPLLCQBOSA-N 476.665 5.199 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cc4ccc(F)cc4)cc3)[C@@H]2c2cccnc2)C1 1810511531 QXBMYLNYYUDLMU-LSYYVWMOSA-N 483.587 5.097 30 20 JKED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4cccc(F)c4s3)[C@@H]2c2cccnc2)cc1 1811359770 NRDHVFMRDQPXRI-RCZVLFRGSA-N 498.583 5.135 30 20 JKED Cc1ccc2cc(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4)[C@H]3c3cccnc3)sc2c1 1812221792 WVMLIEWLVQRGPX-BVAGGSTKSA-N 480.593 5.110 30 20 JKED CC#C[C@@H](CC(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@@H]1c1cccnc1)c1ccc(O)cc1 1813120882 WVXGHWYHNKQQKJ-CTLJBLDXSA-N 499.655 5.127 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c(F)c1F 1813842966 GNLPKPFMKIEHLJ-LVXARBLLSA-N 497.662 5.039 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@H]2c2cccnc2)C1 1813975925 IBQGDZPVYLNNQR-YCRPNKLZSA-N 478.807 5.328 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)[nH]n1 1814442286 PLPARNYCFACNFE-NRFANRHFSA-N 481.000 5.305 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)[nH]n1 1814569103 DJWGPIATPOMZBW-FQEVSTJZSA-N 494.393 5.181 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCOc2ccccc2)n[nH]1)c1ccccc1 1816790377 UBMXIAYMCDQFJW-AZGAKELHSA-N 484.600 5.068 30 20 JKED Cc1cscc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1818242164 IMIZGEALAKRLQH-LJQANCHMSA-N 487.507 5.290 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4occc4c3)n[nH]2)cc1C#N 1818709861 XDAATKMCCRRBDP-HSZRJFAPSA-N 497.555 5.434 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)c1 1819026334 CUCPBNOVHUQJIU-LJQANCHMSA-N 489.626 5.496 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cnccc23)n[nH]1 1819129037 VHIXCPJYGHSGOP-XMMPIXPASA-N 487.680 5.315 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCNc3ccc(C)cc3C)n[nH]2)c1 1819464275 HGYGODORHUZOAS-RUZDIDTESA-N 484.604 5.015 30 20 JKED CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1820606864 ICZBVIKCLKTSMW-HOYKHHGWSA-N 455.562 5.219 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2[nH]nc3c(Cl)cccc23)n[nH]1 1820696617 VSSRQSVOQBGHSX-HXUWFJFHSA-N 483.016 5.167 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4sc(C)nc4c3)[nH]n2)c1 1821325347 VGQYNDSCWZHSMH-JOCHJYFZSA-N 484.585 5.128 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1821986071 HLWIZDPGWZRICY-GFCCVEGCSA-N 463.337 5.295 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[nH]n1 1822583261 KXNGGBOSOIPPQI-TUNNFDKTSA-N 497.437 5.162 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)c2cccs2)n[nH]1)c1ccc(O)cc1 1822710433 ZXWIYNRCWBHBHG-LEDOBFOHSA-N 490.629 5.170 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(OC)c2)n[nH]1 1823258646 HIFYQOCJBRZRBQ-PZJWPPBQSA-N 456.974 5.146 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)cc1C#N 1823293775 FTJJNCILMHXFTH-NMNFXAFOSA-N 489.620 5.201 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)C1 1823704784 TVISEVYJSICWQW-OAQYLSRUSA-N 468.947 5.558 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1823886428 DMWSEHSTOGFESK-VWLOTQADSA-N 475.633 5.167 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1824508483 WMCARKVAMZDLCE-ZJSXRUAMSA-N 489.616 5.048 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c(-c4ccc(F)cc4)c3)CC2)c1 1825575370 NCYNMGKPIVJRCH-MUUNZHRXSA-N 498.602 5.548 30 20 JKED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1826321200 OOUOOTYMIJSKJP-AZGAKELHSA-N 465.544 5.032 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CC2)CC1)c1ccc(Cl)cc1 1826685672 YOQRPEABAPEKHJ-DHIUTWEWSA-N 456.030 5.003 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533717 OMULIGNLCFFWJM-KSFYIVLOSA-N 489.479 5.154 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)cc1 1828553990 QWLVFCYXKJDFMU-NRFANRHFSA-N 477.655 5.576 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1 1828998838 LJTWTZIRQFEPAT-JSPCPOQUSA-N 490.431 5.247 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(=O)Nc2ccccc2)CC1 1829068206 KNVHVOIJYZLATO-RUZDIDTESA-N 481.681 5.408 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1829068546 CUWSVYMWEOSSFN-DHIUTWEWSA-N 491.717 5.292 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2SCc2ccccc2)CC1 1829492188 FCPSVIOONZAQTL-AREMUKBSSA-N 489.685 5.411 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829757074 TUHAWKYKYXAXAX-KOSHJBKYSA-N 469.029 5.176 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(F)c3F)CC2)c1 1830083910 BAVFRSTWUSDHPJ-MHECFPHRSA-N 465.544 5.139 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)CC1 1830291382 IMPPFRPEADUNAT-RPLLCQBOSA-N 477.624 5.305 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cnccc34)CC2)c(Cl)c1 1830721378 DNCAUHOTUGCLGA-SANMLTNESA-N 487.003 5.307 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cc(Br)ccc3c2)CC1 1831376082 ITOHDFFIBWTBPV-UUOWRZLLSA-N 498.465 5.443 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1831836118 CPMQUDQRHKYLHW-VHHZFHAKSA-N 477.114 5.552 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831852025 LYSLOADUCWCDFG-HSZRJFAPSA-N 463.449 5.349 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccsc2)CC1)c1ccc(O)cc1 1831921111 KOXNZXIGJHCYKV-JDNYJCGDSA-N 490.669 5.284 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831968963 FMJRJCAJZGHXHH-CUFUVEISSA-N 473.455 5.294 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)CC2)cc1C#N 1831979772 CTIDAJQOSXMPRS-NSOVKSMOSA-N 499.655 5.309 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1832030417 PQVKBMUMOUKWCW-JOCHJYFZSA-N 466.519 5.271 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 1832030720 YFHNLVSBECQLCW-NRFANRHFSA-N 477.418 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)c1 1832629400 PGPWQLPKDVXRFL-CTUHWIOQSA-N 471.592 5.372 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cccnc34)CC2)c1 1832632386 ONEDFMCSCIFVDO-JIPXPUAJSA-N 480.612 5.409 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1cc(Br)c3ccccc3c1)C2 1841318854 CUXHDSWSJKSCNR-UHFFFAOYSA-N 467.407 5.188 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccccc3Oc3ccccc3)C2)cc1C#N 1844868396 PMMWZLBLGNCWNQ-UHFFFAOYSA-N 495.579 5.269 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccccc3Oc3cccc4ccccc34)C2)cc1 1845546819 CFIIKUOMWWDGNG-UHFFFAOYSA-N 487.559 5.635 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC23CN(C(=O)c2cccc([C@H](C)C#N)c2)C3)c1Cl 1846784990 VBMFYEFLMBDPEQ-OAHLLOKOSA-N 456.373 5.060 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)sc2c1CCCCC2 9637196 LTNDEFZIKKKFKJ-UHFFFAOYSA-N 467.595 5.352 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1 10174331 USFFJZCZVILACD-UHFFFAOYSA-O 487.595 6.456 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)s1 10179407 ZWMPEXQYGYTPLP-UHFFFAOYSA-O 490.501 6.889 30 20 JKED CCCCSc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)s1 10323670 OXSMFHRXUXRTBT-UHFFFAOYSA-N 457.650 5.440 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1cc2c(cc1Cl)OCCCO2 10551267 BBBSATRAHOTHSO-UHFFFAOYSA-N 494.956 5.320 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1F)=C(/S)Nc1cccc(C(F)(F)F)c1 11128895 YXCDOZJFQHFXJU-UHFFFAOYSA-O 465.467 5.884 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1ccoc1C 12473850 DTMYRFYOHLNLLD-UHFFFAOYSA-N 464.595 5.168 30 20 JKED Cc1ccc(/C=C/c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)[nH]2)o1 12843749 UWTPIMLBVBLXGG-VAWYXSNFSA-N 464.595 5.403 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc3c(c2)CCCC3)c(Cl)c1 15248246 SOMDVEAZWMWCJA-UHFFFAOYSA-O 495.024 6.082 30 20 JKED C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 24075234 OHKAJFBZDTUZCM-LBPRGKRZSA-N 458.012 5.446 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)nnc1-c1ccc(Cl)cc1 24435867 PPEMLBKAZIEIPU-NRFANRHFSA-N 485.009 5.073 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1 24618622 CJMIUWUVCNKNIS-UHFFFAOYSA-N 455.583 5.421 30 20 JKED CCOc1ccc(N(C(=O)CSCc2ccc(C#N)cc2)c2nc3ccccc3s2)cc1 302968626 RTGWPGZMSZRZAD-UHFFFAOYSA-N 459.596 6.165 30 20 JKED COc1cc(C(=O)/C=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)ccc1S(=O)(=O)C(F)F 303160750 PJDUCMDPKXDSLM-DUXPYHPUSA-N 475.296 5.213 30 20 JKED CCOCCCn1c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 303206123 PQFAHQYOYZSAIY-UHFFFAOYSA-N 454.530 5.166 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C(C)C)C(C)C)ccc1Cl 303206800 NKAKPKBMLYTZSR-UHFFFAOYSA-N 469.434 5.634 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCN(CCc4ccccc4)CC3)c2)cc1 410311646 YIYLHLUJQPUEDT-UHFFFAOYSA-N 468.601 5.160 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)cc1 475234695 QZVXLLPDOFKICT-UHFFFAOYSA-N 491.507 5.266 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(OCC(F)F)c3)cc2F)c1 481566220 FCYZIFBAIVKDAN-UHFFFAOYSA-N 455.436 5.242 30 20 JKED N#C[C@H](C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc2ccccc2n1C(F)F 481854515 HFTHDXMJSNRKIY-OAHLLOKOSA-N 462.378 5.067 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 498302600 GOCZSYVWUNXHBU-FQEVSTJZSA-N 457.603 5.047 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 499130665 MBOVGEPJWANGTJ-UHFFFAOYSA-N 499.449 5.518 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 501120147 LLNLIXNJHFFUKG-UHFFFAOYSA-N 494.521 5.080 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 501485490 YQNKMQQUNBFYSU-UHFFFAOYSA-N 481.552 5.697 30 20 JKED Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 502398511 LLXPIOOEMLFUMK-UHFFFAOYSA-N 479.334 5.182 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)cc1 510271725 QHMZCCQKGQWOFT-QGZVFWFLSA-N 460.559 5.062 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc(C)nc21 512232688 BMVRSBSSOAASLR-IBGZPJMESA-N 453.546 5.608 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)c4ccc(Br)o4)c3)c2C#N)C1 514449979 FLYXUQPYNGSGNY-LBPRGKRZSA-N 484.375 5.605 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)s2)cc1 514487851 UFQDANISSGKREO-UHFFFAOYSA-N 493.639 5.785 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)n2)cc1 516270097 MYJPDUOGSKDKDT-HSZRJFAPSA-N 492.560 5.067 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)cc2)c1 517511301 SRCMUCPKKZJOBX-LJQANCHMSA-N 491.494 5.443 30 20 JKED N#Cc1cc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)ccc1OCC(F)(F)F 518179007 SYZSEWQQUCRIMM-UHFFFAOYSA-N 454.452 5.171 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C 518327629 QEPFYFLVOBMQOF-UHFFFAOYSA-N 483.597 5.260 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)c(C(F)(F)F)c2)n1 518684862 PIJSQHKRDNSSGY-OAHLLOKOSA-N 487.551 6.081 30 20 JKED COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 518738851 BNPOVNRJHISJSX-GOSISDBHSA-N 495.626 5.167 30 20 JKED CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 518751230 KZBCDIOUUOKCKC-SFHVURJKSA-N 463.603 5.767 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 518766922 MYEUNQBFBXOYHJ-MRXNPFEDSA-N 481.524 5.381 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 519874689 RYIXAZNMFZNBFW-UHFFFAOYSA-N 469.497 5.351 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(I)cc1Cl 521327038 NNFDTXZWLWPDMG-NSHDSACASA-N 456.736 5.591 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)[C@H](C)c1cccc(-n2cnnn2)c1 521792443 OJRDYOLHYPCOFD-QGZVFWFLSA-N 485.592 5.054 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)cc1 523231850 IAFBGIUBTVVAJI-UHFFFAOYSA-N 484.339 5.263 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2ccc(Br)cn2)nnc1-c1ccc(Cl)cc1 523278534 JPRUUVUOYFDAHK-UHFFFAOYSA-N 492.830 5.087 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccccc4OC(F)F)cs3)o2)cc1 524390638 XVPSHUDPIFJVIY-UHFFFAOYSA-N 467.453 5.707 30 20 JKED C[C@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524425653 WPYOBJOJNZXSJL-OAHLLOKOSA-N 483.902 5.227 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1 524499681 DAOPVZLOLOFGMH-UHFFFAOYSA-N 462.506 5.147 30 20 JKED Cc1c(C(=O)Nc2ccc(F)c(C#N)c2)sc2ncc(C(=O)Nc3ccc(F)c(C#N)c3)cc12 524533504 RVBWFIFJSJAKHJ-UHFFFAOYSA-N 473.464 5.131 30 20 JKED CC(C)c1ccc(CSc2nnc(S[C@H]3CCN(c4ccc(C#N)cc4)C3=O)s2)cc1 589722438 NIHJUQVUJVKSIK-FQEVSTJZSA-N 466.657 5.723 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1 603529514 HIQDBCROOOSELA-UHFFFAOYSA-N 461.587 5.076 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cs2)cc1OC 603763681 AQFMKKITTQESPK-UHFFFAOYSA-N 472.526 5.067 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 603957724 HQSXHZQUUAXJJT-UHFFFAOYSA-N 499.586 5.247 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2C(F)(F)F)c1 603995490 FSDRVUJWBLPVEA-UHFFFAOYSA-N 489.457 5.576 30 20 JKED CCN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[C@@H](C)c1ccc(C#N)cc1 604440762 PWRXDYQRXANLAZ-AWEZNQCLSA-N 474.401 5.664 30 20 JKED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Oc4ncc(Cl)cc4Cl)cc3)cc2)c1N 608924714 FMHKZCVCCDPBQD-UHFFFAOYSA-N 465.300 5.073 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cc2)c1 609064118 IWLISVROCKAADI-UHFFFAOYSA-N 476.945 5.571 30 20 JKED N#C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1cccc(Cl)c1Cl 609414441 PKGMWERBWMLVER-NHCUHLMSSA-N 483.355 5.266 30 20 JKED CN1C/C(=C\c2cccc(OCc3ccccc3C#N)c2)c2nc3ccccc3c(C(=O)O)c2C1 609424840 ZIYRCZMQKGSOJF-LPYMAVHISA-N 461.521 5.370 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1F 613387659 JIYLHBBDSAEKAV-LJQANCHMSA-N 472.589 5.980 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3Oc3ncc(Cl)cc3Cl)cc2C1=O 642602447 ISVFAPLSJDLNLW-UHFFFAOYSA-N 468.296 5.215 30 20 JKED O=C(NCc1ccc(OCC(F)(F)F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642692784 DAMFIQJWOKCVAY-ITGUQSILSA-N 466.344 5.336 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(COC(C)(C)C)c2)c1 726106803 UUEZYPUQZASYAN-HSZRJFAPSA-N 479.646 5.111 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)c12 726320320 WTRPLHLIKQFJJI-QFIPXVFZSA-N 488.503 5.952 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 726413883 VKSAKTKBJQRQCU-NLFFAJNJSA-N 482.609 5.401 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(C[C@H](C)c2c(Cl)cccc2Cl)C1=O 726414042 YRCWWPPHQLOXKS-KPZWWZAWSA-N 498.407 5.012 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N/[C@@H](C)c2cccs2)c(C)s1 726416567 QOZLMSKCUHIVGM-GXSIGOGWSA-N 461.678 5.217 30 20 JKED Cc1oc(-c2ccsc2)nc1CC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 727023736 XJDHSAKZQLGRSJ-AWEZNQCLSA-N 469.588 5.027 30 20 JKED N#Cc1ccc(-c2ccn(CC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)n2)cc1 728152414 KFYIQHLWWHJFRO-HSZRJFAPSA-N 455.905 5.046 30 20 JKED CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 728297481 GRGNVGVPBOEVHH-LJQANCHMSA-N 488.563 5.197 30 20 JKED C=CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 728457616 MVXQQKBEZHGYBN-UHFFFAOYSA-N 486.531 5.190 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 728780638 VZHFDOSVQBWPIO-DEOSSOPVSA-N 481.581 5.366 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCc2ccc(OCC#N)cc2)cc1Cl 729242120 ORPCKUWZPAQBER-KGENOOAVSA-N 496.013 5.990 30 20 JKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccccc1 729769099 NGESZIIJBLMSNX-VWLOTQADSA-N 453.498 5.019 30 20 JKED Cc1noc(C)c1CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 730444317 MBAKXTHRKHFJHV-NRFANRHFSA-N 482.993 5.148 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)C(=O)N1Cc1ccco1 730523959 OIGWVXOJRABCHD-HSZRJFAPSA-N 493.585 5.020 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cocn3)C2=O)cc1Cl 730709830 CQAYWTHPLYRKKY-HXUWFJFHSA-N 498.992 5.114 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cocn1)c1cccs1 730729430 MGGMCCBWEUVUJR-MXGHJUMWSA-N 490.610 5.479 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 730981929 DRRWSMRSWGCVES-UHFFFAOYSA-N 498.029 5.349 30 20 JKED CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)Nc2ccccc2SCCC#N)c1 730982662 UJPLZYCVZMASKI-UHFFFAOYSA-N 482.583 5.111 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCCC1 731075853 MNLUCTIALLHYCK-GOSISDBHSA-N 454.567 5.604 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c1 731308340 NLGJUDYKYASRCH-OAQYLSRUSA-N 465.600 5.231 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 743442958 HXLHLGJVPUIXAJ-OAHLLOKOSA-N 454.338 6.112 30 20 JKED Cc1cc(COc2ccc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)cc2Br)no1 743467948 HPSNIQCOARROIQ-MRXNPFEDSA-N 473.298 5.003 30 20 JKED Cc1cccn2cc(COc3ccc(C=Nn4c(S)nnc4SCc4ccccc4)cc3)nc12 744998838 DOMUVVFBMLJOJI-UHFFFAOYSA-N 486.626 5.276 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1[C@H]1COc2ccccc2O1 745956874 MLNYYBRASCAYOU-OXJNMPFZSA-N 461.547 5.188 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCOC2CCCC2)cc1 747044725 WTGCWNSESIVNQQ-QHCPKHFHSA-N 499.608 5.144 30 20 JKED COc1cc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccc(C)c2)ccc1S(C)(=O)=O 747065986 HJZMCRXGISLESI-WYMLVPIESA-N 486.593 5.215 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)Nc1cccc2ccccc12 747111514 ACVVWTBKCILILI-IBGZPJMESA-N 480.376 6.160 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cscn3)C2=O)cc1 747602936 QKJFLCWJOGNHCE-NRFANRHFSA-N 498.605 5.232 30 20 JKED C#CCN1CCC(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 747623239 BQSFDZYCWHBMRC-UHFFFAOYSA-N 484.452 5.995 30 20 JKED C=CCc1cc(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc(OC)c1OC 748000509 CBGYKOPQJJRXKM-UHFFFAOYSA-N 458.518 5.103 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(CC(F)(F)F)C2=O)cc1 799221851 UJMKZKHYVBSMLB-IBGZPJMESA-N 479.524 5.306 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N([C@H](C)c3cccnc3)C2=O)c1 837286160 SNLCHTDICAJJPQ-XXBNENTESA-N 488.613 5.429 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N([C@H](C)c2cccnc2)C1=O 837300373 UNEUKNZMEGXLOR-DVECYGJZSA-N 488.613 5.429 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)c1ccccn1 837325625 OVMMWVWBJBLWJG-AOMKIAJQSA-N 496.995 5.904 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N([C@@H](C)c3ccccn3)C2=O)c1 837428155 WFIXOZUEQKYGSC-CYFREDJKSA-N 488.613 5.429 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1F 837543315 SERNVZIQFRIATH-IBGZPJMESA-N 457.527 5.187 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2[C@H](C)c2cccnc2)cc1 837838779 PQMANTYLBHBZGW-VGSWGCGISA-N 489.557 5.020 30 20 JKED C=CCN1C(=S)N[C@H](c2ccc(-n3cccn3)cc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 912817680 BHEXLZMNZHSMKW-JOCHJYFZSA-N 497.546 5.221 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)[C@H](C)c1ccc(C#N)cc1 914509469 MFOHIECOCUIQNP-LJQANCHMSA-N 496.032 5.256 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3sccc3C)C2=O)cc1 914545404 BQJTVCRPGAAJDZ-NRFANRHFSA-N 477.611 5.420 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cccc(F)c3)C2=O)c1 914772672 KJQHCJDJLNFAKX-HSZRJFAPSA-N 493.560 5.003 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc(-c2ccccc2)cs1 915101450 BRBDNBYUTVQHGA-ROUUACIJSA-N 484.408 5.846 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)nc(O)c2c1C 915106915 IXMRXCYFDKWQCB-CHWSQXEVSA-N 487.557 5.257 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 915571078 CNJYMKFNPKZLLR-CYBMUJFWSA-N 485.924 5.157 30 20 JKED COc1ccc(N(C(C)=O)c2nc(C=NNC(=S)Nc3ccccc3C(F)(F)F)cs2)cc1 915927025 HLAWMEIREKMYGZ-UHFFFAOYSA-N 493.536 5.176 30 20 JKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 916152020 JXCQWWNWQKDJQX-SSZFMOIBSA-N 498.608 5.005 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2)C1=O)Nc1ccccc1F 916205805 MEQYTZISYYXQQH-NRFANRHFSA-N 451.498 5.125 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1C 916208341 ZQAPXULYWAPNSJ-LJQANCHMSA-N 463.525 5.693 30 20 JKED COc1cc(C=NNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916262582 IPIIAGKHERHLTM-UHFFFAOYSA-N 477.870 5.831 30 20 JKED Cc1ccc(-c2cnc(CCC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)o2)cc1 916887432 OIYWZAUMMHWBGR-SFHVURJKSA-N 455.486 5.245 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cn1)c1ccccc1 916906370 QIICVISUJOILAX-GBXCKJPGSA-N 477.520 5.975 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 916909781 UWIHHMIZUWIIEL-FQEVSTJZSA-N 469.570 5.082 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916930625 FAJZQWHQRKGZGJ-OAHLLOKOSA-N 479.161 5.436 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(SCC(=O)O)nnc2-c2ccoc2C)cc1 917032902 WPHHWWGKAIQEAK-UHFFFAOYSA-N 498.568 5.067 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 917505907 RPOQRXFSXXXGSO-OKZBNKHCSA-N 475.570 5.060 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 917555163 CXPUCVIHHWGTII-UHFFFAOYSA-N 486.018 5.848 30 20 JKED CCOc1cccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc3ccccc23)c1 917652472 DDNSOBZCCSVDJX-XMMPIXPASA-N 473.598 5.039 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1 917701388 SHVYKYQQAZSMJY-XZOQPEGZSA-N 477.561 5.118 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 917712712 GXMFKTZOLWZMTE-MHECFPHRSA-N 490.604 6.066 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc(N4CCCCC4=O)cc3)c2)cc1 919775793 JMTPOERPHQHDNW-UHFFFAOYSA-N 468.557 5.170 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2nnn(-c3ccc(C)cc3)c2C)cs1 920068054 ORKCYCKWZQBNOX-MDWZMJQESA-N 461.522 5.060 30 20 JKED N#C[C@@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)Nc1ccc(Cl)cc1 920107551 DOCVZVDEZYQWAB-NRFANRHFSA-N 471.900 5.229 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1nc2cc(C(F)(F)F)ccc2s1 920113280 UFTGDYMINMMRNU-CABCVRRESA-N 463.868 5.198 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)C3(c4ccc(Br)cc4)CCC3)n2)cc1 920141452 FGCDDEGIQGYUOA-IBGZPJMESA-N 467.388 5.879 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cc(C)on3)C2=O)c1 920353260 FILJRNOZVBJATB-QHCPKHFHSA-N 476.602 5.377 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1OC 920365566 RXSWNFRVRFAPNX-UHFFFAOYSA-N 474.464 5.412 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccc3c(c2)CCC3)cc1 920394788 VKNNNVVUYXYRMA-UHFFFAOYSA-O 486.661 5.891 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)cs1)c1ccc(F)cc1F 920480357 FHPSTYIRDYPZFX-UITAMQMPSA-N 482.430 5.943 30 20 JKED Cc1cc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)n2)ccc1F 920804945 BHKXPCQYNIHKBN-AWEZNQCLSA-N 468.460 5.395 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc2ccccc2c1 920869821 DTBZMZXOKJTISS-MHECFPHRSA-N 491.613 5.091 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3oc3ccccc34)C2)C1 1782586560 BDKPCSLYEYAWPP-MUUNZHRXSA-N 460.574 5.022 30 20 JKED Cn1c(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)cc2ccccc21 1786031984 DUFXQTDZMFFXIY-UHFFFAOYSA-N 462.553 5.040 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1 1786544971 QKJSJURBJMLPAW-JOCHJYFZSA-N 469.626 5.170 30 20 JKED COc1ccc2oc(CC(C)C)c(C(=O)Nc3ccc(C4(NC(=O)C5(C#N)CC5)CCC4)cc3)c2c1 1788337970 LPSUINFUTYZENR-UHFFFAOYSA-N 485.584 5.691 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cccnc3-c3ccccc3)cc2)CCC1 1788737897 HVRLEHLQCKDCJX-NDZAJKAJSA-N 478.552 5.208 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3C#N)CCC2)cc1 1789456250 NYJILBCERPQHDB-VWLOTQADSA-N 457.574 5.012 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(OC)c3F)CCC2)cc1 1789456510 VPZAAJPAEUTJAQ-OAQYLSRUSA-N 466.553 5.359 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1789491315 FHBUBGCYVUBPJC-JOCHJYFZSA-N 465.981 5.142 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)CC3CCOCC3)CCC2)cc1)c1ccccc1 1789601769 BBFPODORFHKZQQ-AREMUKBSSA-N 458.602 5.134 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c(C)n1C 1789977813 SKNMOHORCFSAIW-GOSISDBHSA-N 454.574 5.331 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5ccccc5Cl)cc4)CCC3)c2c1 1790225634 GQIJYNQHDZNCQF-UHFFFAOYSA-N 469.932 5.149 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCC2)cc1 1790567077 GXCQCUSCZHXNGE-INIZCTEOSA-N 494.573 5.358 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)o1 1790744650 NYRTZZNESMBOGB-UHFFFAOYSA-N 478.346 5.284 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)c[nH]1 1790745022 AQLCGRQWKGPMOE-UHFFFAOYSA-N 477.362 5.019 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccnc4Cl)CCC3)cc2)c(Cl)c1 1790764191 OKHFZJSVPLRIOF-UHFFFAOYSA-N 479.367 5.250 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(Cl)cc3OC)cc2)CCC1 1791151435 BSZDALMVISFZQC-UHFFFAOYSA-N 462.924 5.237 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CN(Cc3ccco3)C(=O)OCC)cc2)CCC1 1791773331 MGIVCROLAUEFDZ-DEOSSOPVSA-N 493.604 5.141 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccc(Cl)cc5)no4)CCC3)cc2)CCC1 1792229820 AJMDPCABXHGBPP-UHFFFAOYSA-N 474.948 5.437 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)c1 1792375457 ZFRRJNXMKFBIKX-MHZLTWQESA-N 463.528 5.371 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@]4(F)CCCC=C4F)cc3)CCC2)cc1C#N 1792377883 HVZHPMIGMLQDCK-NDEPHWFRSA-N 493.554 5.839 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1cccc(Br)c1 1793474339 VYDPMSAWSLRHPP-ADYITMSISA-N 489.454 5.015 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)c1 1794765989 UQLJKMIIUSUUKV-FHTWRSQISA-N 470.548 5.013 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Cl)c1OCc1ccccc1 1799340079 VLHDCTHWOVMDAZ-UVUJQTEASA-N 467.009 5.383 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C 1800832579 FQARDHXPACXENE-AYWYSENESA-N 469.626 5.114 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1803082196 OUXSNOSMPAFICT-XRKRLSELSA-N 467.613 5.252 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(F)CCCCC1(F)F)C2 1803849918 OWELDQVVDHQGGL-YYQBIWNASA-N 480.424 5.014 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CCc3cnc4ccccc4c3)C2)CC1 1805313847 KTDHNCWRAOEBMJ-VWLOTQADSA-N 459.634 5.167 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OCC(F)(F)F)c(F)c3)CC2)C1 1805457787 SXSSLCKTTCMEOR-UHFFFAOYSA-N 496.545 5.380 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(C)cc(C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1806449125 CKHZUPJNDSTPOQ-MNHWUDFISA-N 494.639 5.411 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C1 1806679015 YUNYLGFLODRISD-UHFFFAOYSA-N 464.631 5.243 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1807968761 YBMBTHMFSRMBTR-TZIWHRDSSA-N 451.592 5.201 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2csc3c2CCCC3)[C@@H]1c1cccnc1 1809788497 SVGLNJVWEMXMCQ-YKSBVNFPSA-N 465.663 5.334 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1810179096 XENSDVPQJLCXHK-YZUZCNPQSA-N 451.998 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1811767482 UKLDFELYFOBPAR-UGKGYDQZSA-N 473.539 5.412 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1812676258 NVTBRTCIBYHNMW-KCWPFWIISA-N 491.582 5.393 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)/C=C/c2ccc(CCCCC)cc2)[C@@H]1c1cccnc1 1813046107 OKXPAQJVFFGIMK-JBFRLEFOSA-N 471.645 5.337 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)[nH]n1 1814828347 HXCSIPUBHTWMGB-HSZRJFAPSA-N 488.588 5.351 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)[nH]n1 1814829948 JXXPAXYVHULDQP-OAQYLSRUSA-N 456.974 5.146 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)[nH]n1 1814830080 ODFUJIKXDJMKGR-DEOSSOPVSA-N 462.594 5.273 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCCC2(F)F)n[nH]1)c1ccc(O)cc1 1815353127 OOHVCYAXDULOBY-RRPUWOKSSA-N 498.574 5.130 30 20 JKED COc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)[nH]c2c1 1818582919 LBJIHASXGYPADB-SSOJOUAXSA-N 496.571 5.146 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3nc4c(s3)C[C@@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)cc12 1819055779 KKCWZNIWYLMANK-APWZRJJASA-N 483.597 5.100 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4ccc(C#N)cc4)n[nH]3)c[nH]2)cc1 1820548512 LVGVAYGYTIJSOS-VWLOTQADSA-N 478.556 5.205 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3cccnc3)cc2)n[nH]1 1821003871 QAPDCRQRAYWALZ-ILBGXUMGSA-N 469.589 5.546 30 20 JKED C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)sc2C1 1821218504 SFINKFOVKHUXFK-QGZVFWFLSA-N 488.638 5.382 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[nH]n2)c1 1821275271 FMHOXDQSQHKVAZ-KTIHBUSBSA-N 477.584 5.333 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)[nH]n2)c(Cl)c1 1821278844 YNJHUJWSQOIDNM-QFIPXVFZSA-N 472.936 5.036 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1821986997 YNTKOGAXRBHQDY-SFHVURJKSA-N 461.900 5.062 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1)C(F)(F)F 1821992225 LDDODDVVTUEDIZ-QGZVFWFLSA-N 499.415 5.334 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccs3)[nH]n2)c1 1823212295 SIYFZIJDDLKJIO-VGSWGCGISA-N 461.591 5.037 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1 1823218543 STQQLUUHTIUQOD-KOSHJBKYSA-N 471.561 5.055 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1ccc(F)cc1C(F)(F)F 1823297327 FUTANNKPICTPRO-HNNXBMFYSA-N 492.395 5.216 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823660865 KAYKTUFCSBGKSO-NLFFAJNJSA-N 490.673 5.368 30 20 JKED CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1823684365 WFNNUCJOQJNOKQ-NSOVKSMOSA-N 471.645 5.304 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)C1 1823702858 ARHDUEXDVVQKKO-OAQYLSRUSA-N 467.591 5.009 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)cc2s1 1824053728 CGWWJNAJMDPPCC-VWLOTQADSA-N 488.657 5.276 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ncccc3-c3ccccc3)CC2)cc1 1827875552 MBBPHXPWCFGDBB-MUUNZHRXSA-N 492.623 5.362 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c12 1828549851 PHPAGLKTDCMKED-KDYSTLNUSA-N 482.628 5.651 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)CC1 1828652077 BNZOMQKCCUJTRI-MHZLTWQESA-N 486.015 5.173 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 1828822744 ALNPPSYPJOJQFG-KEVKATSASA-N 452.614 5.317 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1828829547 DKOBSMAQKAECSX-ATIYNZHBSA-N 480.052 5.890 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ccncc23)CC1 1828906784 HRYDHOFHMMOXCM-MHZLTWQESA-N 489.736 5.519 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)c2ccccc12 1828999395 LUYUBDHDJMGABM-AOYMVWLXSA-N 499.655 5.413 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1829647258 GDHIMTRIGSJRET-NLFFAJNJSA-N 467.654 5.179 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nn2C(F)F)CC1)c1ccccc1 1829763750 RYPGIZSKFVQZHJ-RPWUZVMVSA-N 496.602 5.017 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#Cc2ccc(Cl)cc2)CC1 1829865108 NTPWYEIOIFBQRG-QHCPKHFHSA-N 496.076 5.132 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829907547 NYAVODOJYQPCRT-VPUSJEBWSA-N 490.644 5.285 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)cc1 1830015772 PSFVXKCEWYYZKI-WWUMMRACSA-N 461.650 5.398 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)cc1 1830632821 ZUSASWMTNDBHJG-VWLOTQADSA-N 455.558 5.046 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)s1 1830633036 BPXSNBICVFTNRJ-ZEWVGQQJSA-N 461.631 5.069 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 1830712481 JUFZLCOEYOBRJX-QFIPXVFZSA-N 488.554 5.294 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c1 1830717362 UGTLIEWJTOSDDC-QHCPKHFHSA-N 471.935 5.037 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1830753912 GVOMGIHJKALJKT-MUUNZHRXSA-N 498.671 5.290 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2O)CC1 1830954887 PNAYKCICVADBPA-OFNKIYASSA-N 450.579 5.140 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)CC2)CCC1 1830978345 RFZDWDHJVWALJJ-DEOSSOPVSA-N 484.600 5.355 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccccc4c3Br)CC2)C1 1830986932 ALPBNDQOUJYJHT-DEOSSOPVSA-N 495.461 5.802 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831305925 GUUSAMTWENEWHS-YKSBVNFPSA-N 488.072 5.182 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831376727 RUFMXQSXFXXLSU-FNZWTVRRSA-N 476.617 5.072 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831448790 RXUPVNHAWAIRBD-LJQANCHMSA-N 491.560 5.254 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832031013 CUKBOGUFTMGGSL-JOCHJYFZSA-N 466.519 5.271 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)ccc2Cl)CC1 1832552341 JMXWEYCTOSOWOD-QHCPKHFHSA-N 461.046 5.574 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1832707728 IKAGVQNBNOOFMU-IERDGZPVSA-N 454.508 5.290 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1)C(F)(F)F 1832720407 UPSLVJKCAZXNBZ-GOSISDBHSA-N 496.879 5.711 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cc4cccc(F)c4)c3)CC2)c1 1832748418 UDJKNPHWYKUCQN-MUUNZHRXSA-N 498.602 5.163 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 1835816122 VJRMEERFZJRCPW-DQEYMECFSA-N 486.100 5.008 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CC2)CC1 1838538246 SSGMVOFQMVANIT-UHFFFAOYSA-N 473.617 5.003 30 20 JKED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845546399 JEONRBLUYPYYIG-RUZDIDTESA-N 474.626 5.404 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C(C)(C)C)cc1 10174368 PRYYVRNCFQNMGX-UHFFFAOYSA-O 457.663 6.374 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1ccc(F)cc1F 11113609 KOJAKPJJRGVJCT-UHFFFAOYSA-O 451.490 5.618 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1c(C)cccc1C 11153147 BARXOMHFHKSOKU-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1cccc(OC)c1 11259609 NKPJXQBUMXKRIF-UHFFFAOYSA-O 460.406 5.903 30 20 JKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)S1 15231727 URZDOWQRFKIZND-LJQANCHMSA-N 459.999 5.030 30 20 JKED COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(CC#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 17368425 FUCNDUQHKFKGNI-CUBQBAPOSA-N 483.568 5.201 30 20 JKED C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1ccc(OC)cc1 25352797 DUETXJAYDQWHFH-UHFFFAOYSA-N 473.480 5.501 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 25838726 LUUUBHVEIGETNC-UHFFFAOYSA-N 457.559 5.118 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)c1 32291116 PBRRSHFTKHAGGQ-UHFFFAOYSA-N 493.523 5.112 30 20 JKED CCn1ncc2c(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc(-c3ccccc3)nc21 36646620 FGMJONBZFKMHIW-UHFFFAOYSA-N 497.609 5.386 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C#N)nnc2-c2ccccn2)c(C)c1 71963376 CTOTUKMEABCAGM-UHFFFAOYSA-N 474.977 5.202 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)cc1 195644548 GIRLVHQQICJCMU-UHFFFAOYSA-N 491.385 5.335 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)cc12 195741163 BDHMMYGORHMNMF-INIZCTEOSA-N 484.368 5.118 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c3ccccc3)cc2F)c1 481160873 GORKUVMWFOJQBG-NRFANRHFSA-N 485.437 5.025 30 20 JKED CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 482841907 PEOBSAIKUGOFDO-UHFFFAOYSA-N 453.502 5.281 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 498914842 GHVJRPQUYCOHJN-AWEZNQCLSA-N 479.408 5.889 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 500749431 XIQVVBZIQRYQPC-UHFFFAOYSA-N 467.525 6.024 30 20 JKED CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C(F)(F)F)c1 501588705 LICCZEGVHPRPBB-OAHLLOKOSA-N 463.529 5.217 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Oc3ccccc3)nc2)cc1Cl 507156891 GHFOHVXFHNITPD-DEOSSOPVSA-N 496.954 5.438 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 508418393 MBEUPUDTMITULA-UHFFFAOYSA-N 471.944 5.952 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)c2)c1 511482348 JPAOIRCWNXPGBU-MUUNZHRXSA-N 472.548 5.990 30 20 JKED C[C@H](c1ccccc1)n1c(SCC(=O)N(CCC#N)c2ccccc2)nc2ccccc2c1=O 514590710 XGXYZQQETPSEJV-HXUWFJFHSA-N 468.582 5.045 30 20 JKED C=CCN(C(=O)[C@H](C)Sc1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 515609385 ATDOCSQBMWAADD-HNNXBMFYSA-N 455.561 5.427 30 20 JKED CCCOCc1ccccc1CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516432199 WUNUXYYUXAJIHS-XMMPIXPASA-N 475.976 5.177 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2)cc1 518230817 PZMOXNVMDVONCR-UHFFFAOYSA-N 482.561 5.885 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(OCc2cccnc2)cc1 518249607 RUOGMSZOQVNPMC-HXUWFJFHSA-N 492.535 5.140 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2cc(Cl)cc(Cl)c2)c1 519998249 PWZHFSNAANNJTA-UHFFFAOYSA-N 484.408 5.568 30 20 JKED CCCCNC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 520587556 CSBTWJXKCWYJOG-UHFFFAOYSA-N 454.958 5.164 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 520914937 XKBCFQHKSUOVBB-UHFFFAOYSA-N 493.604 5.071 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 521092616 PLZACCPBLINVGJ-IBGZPJMESA-N 450.539 5.138 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)N(CCC#N)Cc1ccco1 523347608 NNZHRQVNBIZBAV-INIZCTEOSA-N 478.599 5.221 30 20 JKED N#Cc1c(NC(=O)c2ccc(I)cc2Cl)sc2c1CCCCC2 524140996 BWUHZISXDIVOAW-UHFFFAOYSA-N 456.736 5.399 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 524438784 VLQAEXFFPWKBKL-UHFFFAOYSA-N 456.590 5.561 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 524457423 HDXMPFQVOGIAMW-UHFFFAOYSA-N 485.515 5.641 30 20 JKED N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 557422124 NWSCCIJFYULMPC-UHFFFAOYSA-N 480.528 5.224 30 20 JKED N#Cc1ccc(CNc2ccccc2NC(=O)c2ccccc2I)cc1 568780814 ZPKQPIQKBPAQAG-UHFFFAOYSA-N 453.283 5.027 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 590260046 IMVJXAONWGHJJC-UHFFFAOYSA-N 456.832 5.062 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2)cc1 604464486 CFDWVWNVARGTSJ-HUUCEWRRSA-N 499.411 5.315 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CC=C(c4cccc5ccccc45)CC3)cn2)c1 604507269 IVEBNAVXCNPLGU-UHFFFAOYSA-N 474.520 5.153 30 20 JKED N#CCCCOc1cccnc1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 608882758 BNPOBZKCXAVKSP-UHFFFAOYSA-N 460.584 5.797 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)cc2Cl)c1 609062354 MUGOSXSWKPRMEN-UHFFFAOYSA-N 498.926 6.158 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2Cl)c1 609080429 XDFSUZMLESWZES-UHFFFAOYSA-N 495.023 5.483 30 20 JKED N#C[C@H](NC(=O)c1ccc(Br)cc1Cl)c1ccc(OCc2ccccc2)cc1 609172751 BFQXRLPQYPSBGA-NRFANRHFSA-N 455.739 5.676 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cc1 609177781 NJUHUAJAJTWQPK-UHFFFAOYSA-N 489.475 5.222 30 20 JKED Cc1nc(SCC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c(C#N)c(C)c1C 609186698 JWKGPSNUEKITDR-IBGZPJMESA-N 466.607 5.427 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 609371022 UKELBWWANYAXSE-GFCCVEGCSA-N 462.415 5.993 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 609376645 GYGZKYAQBQKNPX-KRWDZBQOSA-N 479.602 6.061 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H]1c1ccc(OC)cc1 609377852 HHLZRTDUAOPFKB-BORKOYIJSA-N 479.646 5.665 30 20 JKED C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1SC[C@H](C)C#N 609377987 NIGWRRFIRFAMHW-CVEARBPZSA-N 472.035 6.507 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c12 613404175 KBXFSPLDSZAFAY-AWEZNQCLSA-N 497.527 6.124 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12 613405290 WYHZPRLJPKTACV-NSHDSACASA-N 494.292 6.058 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(SC)cc1 613415496 MUPYYSIREHZYMD-OAHLLOKOSA-N 458.584 5.023 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1CC 613426084 HKMXQVFGVCXBIK-MRXNPFEDSA-N 456.999 5.378 30 20 JKED O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618465833 ZIMHUSVGKFCNIU-YUMQZZPRSA-N 463.749 5.110 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)ccc1Cl 619823256 FWIFVLIRXFFYLA-UHFFFAOYSA-N 476.389 5.038 30 20 JKED O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 641916858 VQYAXAURFDOJGY-UHFFFAOYSA-N 475.364 5.039 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccncc1 725764474 VPORKTURDMEOLF-UHFFFAOYSA-N 488.576 5.563 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)O[C@@H](c2ccccc2)c2cccc(F)c2)CC1 726347405 NRFAKOSQKDEMHV-DEOSSOPVSA-N 471.488 5.495 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(Cl)c1 726395254 YNEJOQIILCQZLR-OXQOHEQNSA-N 459.999 5.034 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2cccs2)c1 726405269 MDGNZHFNCXIVFM-QHCPKHFHSA-N 487.606 5.093 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 726411157 LHQVILZGSSJLCH-MWTRTKDXSA-N 490.535 5.063 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(C[C@@H]2CCCO2)C1=O 726418745 FJVPSQYLJOZESQ-QFGJNEHBSA-N 492.066 5.279 30 20 JKED Cc1ccc(N(CCC#N)C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)cc1 726942337 VPTQSFMXLOQOKL-UHFFFAOYSA-N 459.980 5.071 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccc(Cl)nc2)c1 727160550 UXBKQZFVOVFLEV-UHFFFAOYSA-O 482.029 5.451 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)cs1)c1ccc(F)cc1F 727267341 HKTIJOCWCDRFIW-NTMALXAHSA-N 499.539 6.573 30 20 JKED CCCN1C/C(=C/c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C/c2ccc(O[C@H](C)C#N)cc2)C1 727744207 CXPDERIHLTXJKO-LPZKUROFSA-N 455.558 5.030 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)NCCc1cccs1 727813819 NMCPSAALGRLRNJ-UHFFFAOYSA-O 494.706 5.438 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 727995672 AOEISKZLBRHBJX-JOCHJYFZSA-N 473.960 5.086 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2ncc(-c3ccccc3Br)o2)c1 728182269 GFGPKMCOJGISII-UHFFFAOYSA-N 475.342 5.844 30 20 JKED N#CCCN(CC1CC1)Cn1nc(COc2ccccc2Cl)n(-c2ccccc2)c1=S 728904836 ZIKJQAJPRBEJGA-UHFFFAOYSA-N 453.999 5.219 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N([C@H](c2ccccc2)C2CCC2)C1=O 729145924 NMMGOIWGSHUWKE-ISKFKSNPSA-N 465.619 5.083 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ncccc3C)C2=O)cc1 729635044 ZPCXCIRTHIVMPZ-QFIPXVFZSA-N 479.005 5.512 30 20 JKED Cn1c([C@H](C#N)C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc2ccccc21 729887084 RCWITSXELQIKKJ-JOCHJYFZSA-N 465.944 5.498 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)c1 730459918 PFUFWIXIPJQUDP-LJQANCHMSA-N 461.946 5.001 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(C3CCC3)C2=O)cc1OC 730459966 QOMRLWJRFYQEDR-OAQYLSRUSA-N 488.009 5.178 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCC3)C2=O)cc1 730460900 IKNJLERNLKEUEU-FQEVSTJZSA-N 455.967 5.055 30 20 JKED COc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c(F)c2)c(F)c1 730472220 BVPKWDUAVZDJSC-WDNDVIMCSA-N 481.383 6.280 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 730482896 WVWKTZLHGMCCFY-UHFFFAOYSA-N 475.267 5.052 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cocn3)C2=O)c1 730715714 QDYJGJCQWDGQKK-HXUWFJFHSA-N 468.966 5.105 30 20 JKED O=C(Nc1cccc(SC(F)F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 730969476 KMBTXNNWIXXOFS-UHFFFAOYSA-N 498.811 6.444 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 731065996 JGEOGLWYJYHGQS-CPJSRVTESA-N 498.608 5.428 30 20 JKED C=C1CCN(C(=O)/C(=C\c2ccc(OC(F)F)c(OC)c2)c2ccc(OC)c(OC)c2)CC1 731196535 DREISAAEDBAJPZ-UYRXBGFRSA-N 459.489 5.033 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731306534 AGPSNWWMZHXMNC-IBGZPJMESA-N 493.507 5.194 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731312633 NQOKEBBCOAXUBO-DQEYMECFSA-N 496.592 5.220 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 745296214 GIJXRCUGUZOSHM-INIZCTEOSA-N 494.400 5.034 30 20 JKED CC(=O)c1cccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 745313035 ITAOBVNRSJAORN-FZKQIMNGSA-N 459.354 5.963 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 746697988 RHASGYSFJSXHKS-IBGZPJMESA-N 477.989 5.255 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cscn3)C2=O)c1 747601989 XMEDKGZNJGBEHV-FQEVSTJZSA-N 485.034 5.574 30 20 JKED Cc1nn(Cc2ccccc2)c2sc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cc12 762071314 WKHKBXOZHYSKGT-UHFFFAOYSA-N 482.565 5.363 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(NC(=O)OCC)ccc23)nnc1-c1cccc(C)c1 799012860 XJVBGMHYDDRFDG-UHFFFAOYSA-N 476.558 5.407 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CC(F)(F)F)C2=O)cc1Cl 799217352 MIAVSGYSUJBCJG-MRXNPFEDSA-N 455.889 5.171 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799220864 IMUULMGPJZIRPU-HNNXBMFYSA-N 494.297 5.655 30 20 JKED Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1C 800461319 PUIDOUYQAFEZLN-OAQYLSRUSA-N 454.526 5.027 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(-c3cccs3)cc2)cs1)c1ccc(F)cc1F 818260482 FKAJEWUGHAQKRE-LUAWRHEFSA-N 466.534 6.731 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1C 837403110 ATPHCYAKWDARPM-JPYJTQIMSA-N 476.577 5.559 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837451172 SINNIKVTIDLDGS-FDDCHVKYSA-N 476.577 5.559 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 837929590 CSYIZFSNHYQVBQ-MWTRTKDXSA-N 494.567 5.644 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1ccco1 838487512 ZXQVRHGOVQAYQX-NRFANRHFSA-N 483.977 5.411 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cl)ccc2I)cc1 915293424 LYBGYDIZZQJMLK-IBGZPJMESA-N 472.713 5.852 30 20 JKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nc(C)c(SCC#N)s3)[C@@H]2c2cccs2)cc1 916088332 FUWZBKLTHPRHCB-YLJYHZDGSA-N 482.656 5.560 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1Cl 916209110 DZXCKYGWWQUZJX-QGZVFWFLSA-N 479.345 5.048 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccccc3)C2=O)cc1OC 916214823 BMDJECYMVIWHKR-DEOSSOPVSA-N 489.597 5.173 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccccn3)C2=O)c1 916215808 KJLDCGWHSSLCNU-HSZRJFAPSA-N 458.587 5.167 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)cc2)cc1 916215833 ZLLBKVMJJBQWKA-QHCPKHFHSA-N 477.561 5.303 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccco3)C2=O)c(OC)c1 916216754 YGMCFXUPEGIGJN-HSZRJFAPSA-N 493.585 5.074 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccccc1 916217655 UAIQTXOQKZWQFL-FQEVSTJZSA-N 485.396 5.549 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 916901399 HGLHZLDQLZQPAS-KRWDZBQOSA-N 496.951 5.466 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1C 916919278 VIGNHFWUXOSFEP-QFIPXVFZSA-N 454.555 5.082 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)c(C)c1Cl 916928393 KHFMUTRYDNQWDI-MRXNPFEDSA-N 461.736 5.411 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccc(Cl)cc1Cl 916931457 LOMPYZHQYOEHGJ-HNNXBMFYSA-N 477.735 5.367 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 917043884 PXEZLNUMOMHZQJ-LBPRGKRZSA-N 463.531 6.228 30 20 JKED Cc1cc(C)c(N2C[C@@H](C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)c(C)c1 917043916 PDXIGQJZUZBHHO-RDJZCZTQSA-N 471.504 5.470 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc2cc(Cl)ccc2s1 917430337 HVEUVNCGDJWLFZ-UKRRQHHQSA-N 456.930 5.209 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\SC(=Nc3cc(C)ccc3C)NC2=O)cs1 917564084 WOGJSPNMICZJMM-JAIQZWGSSA-N 466.563 5.475 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917680926 INBDVRJUVJNGJI-ZLNRFVROSA-N 497.064 5.236 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc2ccccc2c1 917698717 BCMQBMWOSXYVLJ-NRFANRHFSA-N 492.398 5.196 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)n(Cc2ccc(F)cc2)c1C 919364945 HIRJNJGEUDDIOF-QZTJIDSGSA-N 479.474 5.014 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3cc(C)on3)C2=O)cc1 920355602 OFDROXWEEUGFGU-OAQYLSRUSA-N 498.992 5.196 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cc(C)on3)C2=O)c1 920359427 MKPGYBHXBVTIET-RUZDIDTESA-N 498.608 5.914 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1nc(-c2c(F)cccc2F)cs1 920805096 GYRLPJAJPUZROM-QWHCGFSZSA-N 492.334 5.624 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 920867245 CMPDATMSRWTXET-KKSFZXQISA-N 474.026 5.200 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(Cc2ccccc2COC(C)C)C1=O 920926946 AHKTZDDIQLDZKI-OAQYLSRUSA-N 488.053 5.150 30 20 JKED CCOc1ccc(C=Nc2ccc(OC)c(S(=O)(=O)Nc3ccccc3Cl)c2)c(O)c1 920942596 HMLYWOIDFNSODV-UHFFFAOYSA-N 460.939 5.004 30 20 JKED CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)CC#N 1514489193 WFEAASVFPVPMRZ-AZUAARDMSA-N 459.038 5.000 30 20 JKED O=C(Nc1cc(C(F)(F)F)cnc1O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 1668264668 RKEOMPUKJCBZQO-UHFFFAOYSA-N 451.342 5.318 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3ccccc3CSc3ccccc3)C2)C1 1781100470 HRHSIKGFNKTARB-GGXMVOPNSA-N 490.669 5.073 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)s4)CCC3)cc2)cc1 1785796028 OWLDRZRUZJRBLY-UHFFFAOYSA-N 464.978 5.049 30 20 JKED CO[C@](C)(C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)c[nH]3)CCC2)cc1)c1cccc2ccccc12 1785815061 UGFDCKFVRYUZOX-LJAQVGFWSA-N 492.579 5.349 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cc1 1785882940 YOCWRJGMLZGSNT-UHFFFAOYSA-N 468.944 5.074 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(OC)c(OC)c3OC)cc2)CCC1 1786199479 GOCSQWHSXVQWJU-LDADJPATSA-N 490.600 5.053 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)CCC1 1786244228 NURIPWQYWUJXRW-CMDGGOBGSA-N 472.557 5.447 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccc(C)cc34)cc2)CCC1)C(F)(F)F 1786780812 OIJHOHJMBPTBJL-UHFFFAOYSA-N 455.480 5.271 30 20 JKED Cc1cncc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)c1 1786857486 FYMYZAQSJDBFRN-UHFFFAOYSA-N 496.611 5.429 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3CCN(Cc4ccccn4)CC3)cc2)CCC1 1786930809 TXVFWYSUBBQZNB-MHZLTWQESA-N 486.660 5.196 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4nccs4)cc3)CCC2)cc(C(F)(F)F)c1 1787516995 LKITYELWDAKWOS-UHFFFAOYSA-N 470.476 5.095 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(OC)cc3)CCC2)cc1 1789492812 LIIOHIRYDGSPCZ-VWLOTQADSA-N 499.611 5.078 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)ccnc4c3)CCC2)cc1 1789496273 OWGLYMPJKVGFAA-QHCPKHFHSA-N 477.992 5.209 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)cc2)CCC1 1790006840 CRTSGWFEHWCJDB-UHFFFAOYSA-N 463.541 5.281 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)NC(=O)CC5)CCC3)cc2)c1Cl 1790082770 OLAOYNQCJQFVCX-UHFFFAOYSA-N 498.970 5.158 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)CCC2)cc1 1790566377 UDQLFWBALWWOHN-IBGZPJMESA-N 498.583 5.977 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(F)cc(Cl)cc3Cl)cc2)CCC1 1790720941 RUEGGAUZJLKZCX-CQSZACIVSA-N 480.367 5.681 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(Cl)s4)CCC3)cc2)c1 1790796044 SDOOVHJVXFEQHX-UHFFFAOYSA-N 450.951 5.038 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2)CCC1 1791191480 OIVMEFNDJRUTND-UHFFFAOYSA-N 493.051 5.178 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(OC)cc3F)cc2)CCC1)C(F)(F)F 1791482327 KETORODTIIYDHZ-VZUCSPMQSA-N 462.443 5.100 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccccc4)n4ccccc34)CCC2)cc1 1791578086 VWQOSYOJYPDZIY-LJQANCHMSA-N 469.610 5.672 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H](CC3CC3)NC(=O)OC(C)(C)C)CCC2)cc1 1791730288 YBIOHXAPQIZFFR-HSZRJFAPSA-N 481.637 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(C(F)F)c4)CCC3)cc2)c1 1792123170 LBOYXYKGOJVLMZ-KRWDZBQOSA-N 474.511 5.708 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4ncc(C(F)(F)F)cc4Cl)CCC3)cc2)CCC1 1792231228 LNJIALNEUDAQDL-UHFFFAOYSA-N 476.886 5.195 30 20 JKED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Cl)cc2)CCCCC1 1801585427 YLMSFTUICLYNCU-KOUNCHBCSA-N 461.071 5.099 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(C(F)(F)F)c1)C2 1801639695 VDWDFWXQHXKDNK-RZXSNQJFSA-N 471.523 5.231 30 20 JKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cc(F)ccc3OC)cc1Cl)C2 1802308054 XTJNCPZKHJAOHZ-WKCHPHFGSA-N 482.983 5.210 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1 1805677769 GGMXPRIYVBSWLH-YWEHKCAJSA-N 498.627 5.105 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4c[nH]c(C(C)(C)C)c4)C3)CC2)c1 1807456934 BWQXSMPOJIGROZ-HXUWFJFHSA-N 460.622 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3cccnc23)[C@H]1c1cccnc1 1809026187 IZABLDPDEPUQPH-UFHPHHKVSA-N 498.703 5.001 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1)c1ccccc1 1809164054 UDPAFDOUHGTEHZ-BKMJKUGQSA-N 457.618 5.233 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc4occc4c3)[C@H]2c2cccnc2)c1 1809349861 SBCLDFBYQRTPFF-WMTVXVAQSA-N 478.552 5.088 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1811439623 UXDDROSRZZOGLO-DFCKQENNSA-N 491.632 5.162 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1813057796 ICSYLSJTBPELIZ-SKCUWOTOSA-N 466.585 5.105 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C2(C(C)C)CCC2)[C@@H]1c1cccnc1)c1ccccc1 1813669602 RMLHSVIONNPDFK-PVHODMMVSA-N 471.645 5.111 30 20 JKED Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)c(Cl)c1 1813831613 JPRIPRILXNMRDY-DVECYGJZSA-N 493.394 5.202 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Br)c(Cl)cc3C)[nH]n2)C1 1814396667 GQAGEOBCMOXBLH-IBGZPJMESA-N 491.817 5.406 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1815246229 ZLONXIYKFYZHLA-XLIONFOSSA-N 460.987 5.070 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C23CC(C(F)(F)F)(C2)C3)n[nH]1 1815341060 NIQWTRHSOAEFPK-NYYVNYEXSA-N 452.521 5.127 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cc(Cl)ccn23)n[nH]1 1817780123 UTHKBUNDHNTIPI-GOSISDBHSA-N 468.989 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)[nH]n1 1819310035 OIDDMLTXCQSALO-MOYZMFQZSA-N 466.557 5.031 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)cc12 1819384933 FXCAVGAKMGMTDX-XMMPIXPASA-N 489.696 5.556 30 20 JKED CCc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)cc(C)n1 1819385106 JOSHITNTSGOXMQ-QHCPKHFHSA-N 479.701 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Br)cnc2C)[nH]n1 1819552905 JRGCFYARYRIUJH-LJQANCHMSA-N 488.430 5.174 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)[nH]2)n[nH]1 1819634576 PKZLLRXLDSGLIB-GOSISDBHSA-N 493.606 5.114 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C2CCCC2)[nH]n1 1820910311 GDGBSRXEYLYQPA-SCTAXSCYSA-N 499.656 5.008 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)n[nH]2)cc1 1821082952 GDPLPYIJXTZSSV-HXUWFJFHSA-N 485.441 5.059 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n[nH]2)CCC1 1821090564 WOZPIMPIJFMLJM-QGZVFWFLSA-N 479.890 5.082 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)c(OC)cc2C)n[nH]1 1821239087 YTJDJNURMNHJFI-FQEVSTJZSA-N 468.598 5.034 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821609469 DWBMYLUHIOPLEF-HXUWFJFHSA-N 455.518 5.165 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)[nH]n1)C(F)(F)F 1821990984 HLFSSOIXWZBVMF-LJQANCHMSA-N 460.500 5.032 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[nH]n1 1822385176 WDKWZXBNEFPZRN-SZNDQCEHSA-N 498.052 5.114 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(c2)CCCO3)n[nH]1 1823137654 CXGZALBLGPDAEX-OAQYLSRUSA-N 450.583 5.033 30 20 JKED Cc1cc(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)c1 1823192151 PCJQXTOIHXRIES-NRFANRHFSA-N 465.916 5.002 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccnc3s2)CC1 1823752755 YSCSBUAJLWAVID-NRFANRHFSA-N 453.652 5.522 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 1823753760 GRHHMIIQPYLMPA-SANMLTNESA-N 474.649 5.369 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 1824138265 XQEWJLKNUUCOJK-JCYRPKCISA-N 470.604 5.456 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cccc4ncccc34)CC2)c1 1824474369 FVINEAXZLMXPBV-MNNSJKJDSA-N 494.639 5.338 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)CC2)cc1 1824879568 UMVOXEMMOUDNGQ-VWLOTQADSA-N 481.999 5.021 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1826321389 HWVPXIGTFJKTOK-JOCHJYFZSA-N 460.603 5.043 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1827331628 AYKTZDPPFDWPEK-DEOSSOPVSA-N 481.587 5.502 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827684620 KOIFWVXGQZTGFA-OKFMSENYSA-N 458.668 5.323 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)CCC1 1827734290 AHTXLPQCOOAMOW-JOCHJYFZSA-N 480.008 5.527 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c(Cl)c1 1827780863 PXWHZSDJYSGBAT-HXUWFJFHSA-N 493.913 5.371 30 20 JKED CCc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc(C)n1 1827926600 OZEWGVDTXGNVIV-AREMUKBSSA-N 481.757 5.237 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 1828461364 ZFXXFMMOLCNJRA-IZBOUPIGSA-N 450.614 5.424 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828508272 CQLDQHCINDCPRQ-FCHUYYIVSA-N 495.611 5.374 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(OC)ccc3o2)CC1 1828827972 APOBDTWESVWCGO-ZEQRLZLVSA-N 464.606 5.443 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1828903802 GUGUKZPJUXMWGA-OAQYLSRUSA-N 474.743 5.041 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3ncccc23)CC1 1828905156 KFMMJHIJYZZNGE-MHZLTWQESA-N 489.736 5.519 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccco2)CC1)c1ccccc1 1829029889 HNYUUJYJNPKRHU-CWMYVEAQSA-N 458.602 5.110 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccn2)CC1 1829204496 YAYKCQVMFHGJPK-QHCPKHFHSA-N 474.121 5.019 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ncccc34)CC2)c1Cl 1829690342 XAXPEZZTIGLLED-RUZDIDTESA-N 487.003 5.307 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)oc2ccccc12 1829954505 GHRIYDXCEMEVRZ-DEOSSOPVSA-N 455.558 5.160 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc4ccc(Cl)cc4c3)CC2)cc1 1830016594 JQZFXMYAAGASLF-AREMUKBSSA-N 487.003 5.307 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1 1830419455 QXUNGGXXNXBXGM-RDGATRHJSA-N 487.710 5.039 30 20 JKED CCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830756326 VGTHMNOXIMQWFW-NRFANRHFSA-N 463.544 5.247 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSc3ccc(F)cc3F)CC2)c1 1830765651 WDYZKZXPAVXJKI-XMMPIXPASA-N 497.611 5.171 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831017157 BAFUFQRJIMIPKK-NVQXNPDNSA-N 480.052 5.890 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1831226491 XNADQKCFLJMDTE-RSXGOPAZSA-N 490.047 5.369 30 20 JKED Cc1ccc(CSCCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1831745312 QXYOPHRHRUVGRE-HHHXNRCGSA-N 489.685 5.424 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1831836117 CPMQUDQRHKYLHW-QGGWEGFYSA-N 477.114 5.552 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1)c1ccc(O)cc1 1831924131 FAVNPYIOEPRABK-CUNXSJBXSA-N 494.582 5.101 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832042232 NYMXCRVZAOJXRX-ZBLYBZFDSA-N 489.685 5.512 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)cc1 1832710099 FYCYRWXEAWMDNR-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 1832826744 ZCMBEWOWSSDALT-XMMPIXPASA-N 499.493 5.294 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179336 BOTGTTLQWRXYBX-UHFFFAOYSA-O 470.445 6.383 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Cl)c1)[n+]1cccc(O)c1)c1ccc(Br)cc1 10830222 NHPNTKJZHCWTOH-UHFFFAOYSA-O 462.776 5.147 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(O)c2)cc1 11114550 CQJNQIURPSKJEL-UHFFFAOYSA-O 461.535 5.054 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2cccc(O)c2)cc1 11251675 JRKZGQKYFUFJBA-UHFFFAOYSA-O 477.606 5.205 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 11268887 KFOYATYJVFWVAP-UHFFFAOYSA-O 465.642 6.541 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 15247754 QKVCAJQSVAJJRR-UHFFFAOYSA-O 496.494 6.647 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(N(C)C)cc2)c(Cl)c1 15248315 DUOKFMMPACXQKF-UHFFFAOYSA-O 473.449 6.015 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)nnc1-c1cccnc1 18405763 OZIAFNBTYGKHAF-QHCPKHFHSA-N 476.005 5.177 30 20 JKED CCC(CC)n1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc(C#N)cc1 18482204 VGZYQPDSPXHAIX-UHFFFAOYSA-N 454.983 5.718 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2sc(-c3ccccc3)cc2c1=O 20882469 LMFKZTIDPNXCBU-INIZCTEOSA-N 477.611 5.439 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)nc2sccc2c1=O 21274118 LXRNSZURCZDSQP-OAQYLSRUSA-N 482.030 5.295 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccc(F)cc1 21996236 JSXPDVBAOAIJRR-UHFFFAOYSA-N 481.578 5.133 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 27444943 YWAJPDZZXBPOEX-IBGZPJMESA-N 457.584 5.223 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3ncccc3OCCCC#N)c3cnn(C(C)C)c3n2)cc1 72087491 KMABQHDQDBZSKR-UHFFFAOYSA-N 454.534 5.318 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 96481591 VRTHLTUXVIDBPD-JXAWBTAJSA-N 452.532 5.225 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c(C)nn(-c2ccccc2)c1C 109910445 SLXLHJFLZONBEL-UHFFFAOYSA-N 456.359 5.148 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1OC 210080427 SHCVMDONAILQLY-XFFZJAGNSA-N 486.446 5.776 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 302937187 IRZQUYVOBGFGQT-LPHOPBHVSA-N 489.066 5.602 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 302937189 IRZQUYVOBGFGQT-VQIMIIECSA-N 489.066 5.602 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)n1 302946261 CFIPSRKHRZBTBJ-UHFFFAOYSA-N 452.533 5.402 30 20 JKED C=CCn1c(SCC(=O)N2CCc3cc(F)c(F)cc32)nnc1-c1ccc(Cl)cc1Cl 480002417 RIYMZYAQCRAVDX-UHFFFAOYSA-N 481.355 5.398 30 20 JKED CC(C)CN(C(=O)c1cccc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1)c1ccc(C#N)cc1 480101853 WLUCJNOBEPBCHH-UHFFFAOYSA-N 478.596 6.036 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1nc(C)c(C)c(C)c1C#N 483374857 LWUROCYLVHELPY-UHFFFAOYSA-N 458.562 5.523 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(CSCC(=O)OC)c1 491277511 JIFHGIDLKVDWJM-UHFFFAOYSA-N 481.387 5.215 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 496630309 ITTXSUVNSRXGSC-UHFFFAOYSA-N 470.510 5.616 30 20 JKED C=CCc1cc(CNC(=O)c2ccccc2SCc2csc(C)n2)cc(OC)c1OC 497326061 NROIGRYRQWDSMB-UHFFFAOYSA-N 454.617 5.420 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)c2)cc1 501480584 PGEDANTYIKOKEM-UHFFFAOYSA-N 467.550 5.898 30 20 JKED CCOc1cc(-c2ccccc2)sc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501721493 WJLPNJPPZZNIKG-UHFFFAOYSA-N 459.571 5.176 30 20 JKED CC(C)(C)OC(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nn1-c1ccccc1 503540126 KOYRDYFUCQOCDM-HXUWFJFHSA-N 495.564 5.313 30 20 JKED Cc1sc(NC(=O)c2occc2COc2cccc(C#N)c2)nc1-c1c(F)cc(F)cc1F 504733100 TWXMHHZWQJLIDL-UHFFFAOYSA-N 469.444 5.832 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)[C@H]1c1ccccc1OC 506722263 RKHNTWGZLBOMBJ-NTKDMRAZSA-N 465.619 5.226 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509900244 QTOFAFOHDHNOCA-MHZLTWQESA-N 455.558 6.099 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(OC)c1 510244273 NGHLQHCWNOZXLJ-LJQANCHMSA-N 481.603 5.088 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nc2sccc2c1=O 510310167 YJRDHQANSXFXPC-MRXNPFEDSA-N 467.538 5.418 30 20 JKED C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1cc2c(cc1Br)OCCO2 511264276 CPEJPPOKWTXQFA-CYBMUJFWSA-N 499.390 5.022 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(C)cc3)s2)nnc1-c1cccc(C)c1 514349948 VCMCQRGBYLVXJW-UHFFFAOYSA-N 462.604 5.144 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccco1 514590551 BIIVZGNAUKBJAF-VNYTWHDVSA-N 461.591 5.184 30 20 JKED CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 517020909 UYYFYFBZFLKLIC-UHFFFAOYSA-N 462.937 5.669 30 20 JKED C=CCN(C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 517529808 VPVXVCTUYQCSML-QGZVFWFLSA-N 466.973 5.418 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 518150881 HXXWLKRKMUKXLV-FUAMJQMHSA-N 482.049 6.004 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(OCc3ccccn3)cc2)cc1 518300189 GBGUEVSQMKUVRW-UHFFFAOYSA-N 465.578 5.755 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1 518787982 RTERSCDEMOPIDN-UHFFFAOYSA-N 487.600 6.761 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)O[C@@H](C)C2 520787026 QFFUYQIDTUNRFR-YDOVEJIGSA-N 497.595 5.731 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)n1 520909060 RIWUMNIMAPMFHI-LLVKDONJSA-N 452.344 5.240 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 521769656 SHRGFFFABVFJHP-NRFANRHFSA-N 456.571 5.807 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2Cl)c1 524390064 PAWOMSLYVGSJGK-UHFFFAOYSA-N 490.947 5.554 30 20 JKED C=CCN(CCc1ccccc1)Cc1nc(O)c2cc(Br)cc(Br)c2n1 570701527 ZXCAJIJHZAFEIE-UHFFFAOYSA-N 477.200 5.091 30 20 JKED N#CCn1c(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc2ccccc21 591862475 QWLQOWUSLMNFJU-INIZCTEOSA-N 451.338 6.085 30 20 JKED O=C(c1cnn(-c2ncccc2Cl)c1C(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 593661909 QSSZTGIEYSZLEU-IUCAKERBSA-N 476.755 5.061 30 20 JKED C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 595182290 KQELVOPENDLPSQ-BJKOFHAPSA-N 488.634 5.690 30 20 JKED CC(C)c1ccc(-c2nc(CC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cs2)cc1 603449279 MSQVRXGICLSYKN-UHFFFAOYSA-N 491.667 6.130 30 20 JKED Cc1nn(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)c(C)c1Br 603568798 XIYHDXIENRPSHD-UHFFFAOYSA-N 451.368 5.174 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1 603972385 ZHMGARNPFHVXCO-UHFFFAOYSA-N 478.346 5.636 30 20 JKED CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)s1 604205402 NRLNCVIQJCMRJW-LIRRHRJNSA-N 474.007 5.055 30 20 JKED COc1cc2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[nH]c2c(OC)c1OC 604254802 WBWWMVFKFBGDSQ-UHFFFAOYSA-N 471.513 5.091 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3cccc4ccccc34)cn2)cc1 604426693 ANAORUDLMVYRRJ-RUZDIDTESA-N 462.509 5.201 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCc3nc4c(s3)CCCC4)cc2Cl)cc1 608922437 GUEQSYOOFWAJGI-UHFFFAOYSA-N 495.004 5.027 30 20 JKED COc1cccc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1OC 609080797 UQTCKLDQWGHYDI-UHFFFAOYSA-N 465.937 5.172 30 20 JKED N#CCCSc1ccccc1NC(=O)c1csc(-c2cc(Br)cs2)n1 609375997 UCGMAEFUPROMTM-UHFFFAOYSA-N 450.408 5.892 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(F)c(Br)c1 609405239 RSRPQSLKLXJFCP-CQSZACIVSA-N 482.309 5.068 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 609428690 UPGOOIMRLBIDQZ-HOTGVXAUSA-N 472.035 6.650 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cs1 613406937 BBNOXCMSVVBZBB-KRWDZBQOSA-N 456.017 6.497 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)nnc1-c1ccc(Br)cc1 619154338 VTGPSAKFCUCZIM-BEFAXECRSA-N 499.434 5.014 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2)cc1F 726412078 PPDJJKZBJFMBBM-QHCPKHFHSA-N 493.560 5.003 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-])c1cccs1 726421940 TVYLQUYQRRGKKJ-KAVHPSCTSA-N 494.598 5.246 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)c1 728012257 FZGPIWNEBLTRPG-UHFFFAOYSA-N 495.866 5.005 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1csc(-c2ccc3c(c2)OCO3)n1 728427905 KEQCCEQGKHIVFU-UHFFFAOYSA-N 471.567 5.045 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C(/Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)cc1 728698018 BGQTZVSSKDNVBJ-HVOBPNNYSA-N 451.910 5.818 30 20 JKED CN(C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1)C(=O)OC(C)(C)C 728739905 ICUGSIWSMBJKED-FQEVSTJZSA-N 464.566 5.461 30 20 JKED CCC(CC)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1OC 729633465 DUYVYRMFSXWDEE-QFIPXVFZSA-N 469.607 5.100 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2c(C)noc2C)cc1 730444476 MVSVLZPLUXBWKV-QHCPKHFHSA-N 476.602 5.111 30 20 JKED FC(F)SCc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)o1 730583555 IVAHSEXHRXIAES-UHFFFAOYSA-N 465.334 5.384 30 20 JKED COc1cc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)ccc1OCCOc1ccccc1Cl 730589039 RXUIUYUDLOFMKE-TWGQIWQCSA-N 479.916 5.033 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730964117 XHMVCRKAWGXNGU-UHFFFAOYSA-N 484.293 5.256 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl 731065715 MEJJBJYPPZCAGT-DEBLGDTFSA-N 482.911 5.806 30 20 JKED Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Br)c1 731066686 FIGTZTLPOJQRGN-SCOAYWHSSA-N 473.392 5.347 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccc(Cl)s2)n1 731075481 CBQAYRIWBOVZDE-CYBMUJFWSA-N 492.047 5.644 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 731115021 YYMCNCTVGUCMFQ-GHTZIAJQSA-N 472.655 5.582 30 20 JKED COc1ccc(-c2nnc(S)n2N=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1OC 731150927 JLGWGOIUDZLLFK-UHFFFAOYSA-N 497.024 5.405 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H]2CCc3ccc(F)cc32)C1=O)Nc1cccc(O)c1 731307109 PMRCXUVYIMSICL-XZOQPEGZSA-N 493.535 5.318 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccco1 731310665 MVVSLJUKSDQFQU-FQEVSTJZSA-N 469.950 5.108 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)c1 747600334 PPLFLEJEFRJWEI-HXUWFJFHSA-N 468.579 5.060 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 748617680 BMTCIFQPWRLFJX-HSZRJFAPSA-N 487.485 6.071 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c(C(F)(F)F)c1 748692613 OWECQYGCBGKTDF-UHFFFAOYSA-N 463.506 5.002 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)Cc2cc(Br)ccc2F)cc1 749333300 XYEGMTDGUBFFRM-QFIPXVFZSA-N 482.353 5.270 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1ccc(OCc2cccc(F)c2)cc1 767044441 CVLZLVCKDDOQQM-UHFFFAOYSA-N 469.428 5.096 30 20 JKED N#CCCCCOC(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 791528895 CJAKEMHHDRSGMJ-UHFFFAOYSA-N 462.394 5.450 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2ccccc2F)C1=O 837513853 GZNZAIDICSVOHT-HSZRJFAPSA-N 477.561 5.037 30 20 JKED Cc1csc(SCc2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n1 875067139 KDZIMWZSLXDDDA-UHFFFAOYSA-N 462.625 5.915 30 20 JKED Cn1c2ccccc2c2cc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)sc21 901952352 NDKNCQCOCDGTLY-UHFFFAOYSA-N 461.597 5.661 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 914520939 QZTYOBXDHCHRMB-MHZLTWQESA-N 453.517 5.503 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCc3cccc(OC)c32)ccc1Cl 914611229 UIKZZZOHRSFTJQ-UHFFFAOYSA-N 497.016 5.323 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915085397 LKMSAQXSUNANBH-DNQXCXABSA-N 473.960 5.247 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)cc1 915199766 LEWZTDCUVFLUSI-XMMPIXPASA-N 492.560 5.234 30 20 JKED COCCOc1ccc(C(C)=NNc2ncnc3scc(-c4ccc(OC)cc4)c23)cc1OC 915951344 AWFWFZQHMXXEKP-UHFFFAOYSA-N 478.574 5.237 30 20 JKED CCn1c(NN=Cc2c(-c3ccc(Br)s3)nc3ccccn23)nc2ccccc2c1=O 915953764 AVTZQHGQKDLUAY-UHFFFAOYSA-N 493.390 5.001 30 20 JKED CCOCCOCc1cccc(N=Cc2cc(Br)cc(Br)c2O)c1 915981656 VUFNGMMLXLRKHH-UHFFFAOYSA-N 457.162 5.221 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(Cl)s2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916135713 KIJHLLQRJBTFHV-SOFGYWHQSA-N 495.906 6.343 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3c(Cl)nc4sccn34)cc2)cc1 916141603 IXRBMNQDTBRKQX-KHPPLWFESA-N 457.964 5.055 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)cc1OC 916209700 QOGCRTJYGWNQPH-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O 916210156 BVDJHTYYBWSLPE-HXUWFJFHSA-N 489.544 5.200 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccco2)cc1 916213222 AADDEYFUEUGFFH-QHCPKHFHSA-N 477.586 5.456 30 20 JKED CC(=O)Nc1ccc2c(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)cc(=O)oc2c1 916539602 XSURQCNJAZBCCB-UHFFFAOYSA-N 457.511 5.059 30 20 JKED CC[C@@H](CO)NCC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1sccc1C)CC2(C)C 916571664 LOYATITVRIWEMQ-TUYSUELWSA-N 455.649 5.067 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1Oc1ccccc1 916911926 YMEIZIOJLYEVMY-DEOSSOPVSA-N 462.505 5.943 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1Cl 916915328 IGJLZGSOBHOADJ-JOCHJYFZSA-N 484.939 6.042 30 20 JKED N#C[C@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 916927630 MRRSODKJKKLDRQ-DENIHFKCSA-N 480.351 5.202 30 20 JKED COc1ccc(CSCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 916975973 HHXOHAWRIXNPKP-MRXNPFEDSA-N 473.963 5.490 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 916977813 ZQOKVTJYEWQLHF-KRWDZBQOSA-N 468.365 6.581 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 917043542 MSNGBUPDRBXLBD-GOSISDBHSA-N 453.880 5.306 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)nnc1-c1ccccc1C 917047070 QHQVPIHMPTVLRT-MRXNPFEDSA-N 468.007 5.505 30 20 JKED C=CCn1c(Cc2ccccc2)nn(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c1=S 917460596 FUOWVHRZQPGQBU-UHFFFAOYSA-N 468.573 5.021 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cs1 917562186 UYAAOHXOTBZMRC-UITAMQMPSA-N 451.762 6.684 30 20 JKED COc1cc(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)ccc1OCc1cccs1 917568105 FJMMOCWFRUQLLE-UHFFFAOYSA-N 479.627 5.567 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccsc3)C2=O)cc1OC 917682542 JYVOXBVOYGURAN-QFIPXVFZSA-N 495.626 5.234 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3OC)N(Cc3ccc(C)s3)C2=O)c1 917694232 DPKHMPBBMFIRED-QFIPXVFZSA-N 495.626 5.234 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)SC1=Nc1ccccc1C#N 917704276 IJFPNEGKETYUCT-QGZVFWFLSA-N 480.899 5.211 30 20 JKED N#Cc1c(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)sc2c1CCCCCC2 917783111 MJWIVBXXRMLVCM-UHFFFAOYSA-N 485.521 5.215 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918680524 PZHMLYSEDSVECZ-UHFFFAOYSA-N 487.968 6.594 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 920018092 RVFQNWIHLGJQLV-UHFFFAOYSA-N 461.499 5.070 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 920108282 DSUGUWUAIVFVLY-SFHVURJKSA-N 453.267 5.342 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cc(C)on2)c1 920353559 MTMSKEITTNCMST-DEOSSOPVSA-N 484.581 5.605 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5[nH]nc(C(F)(F)F)c5c4)CCC3)cc2)C1 1785810361 OVFDAZJQRYMECB-UHFFFAOYSA-N 468.479 5.296 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CN(C(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1786103294 WCIFSMIPESOZEI-UHFFFAOYSA-N 481.637 5.288 30 20 JKED Cc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)n1 1786213149 BMWPILQURSWJIP-UHFFFAOYSA-N 482.584 5.039 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1786370873 GWSWCILQPOHEEW-HNNXBMFYSA-N 469.994 5.289 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3ccccc3Cl)cc2)CCC1 1787804249 KFNXUQQTEDSGNK-SFHVURJKSA-N 455.986 5.208 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Cl)ccn34)cc2)CCC1 1788384087 XBMKUFDHMKXGTI-UHFFFAOYSA-N 462.981 5.504 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4sc(C)nc4c3)cc2)CCC1 1789048394 PJXBODCYMFRAFG-INIZCTEOSA-N 464.591 5.153 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Cl)cc3)CCC2)cc1 1789492234 XRCAKQZWDBMIDD-QHCPKHFHSA-N 485.024 5.206 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1789585871 VKTKWTQBHAPWAX-NBVRZTHBSA-N 471.532 5.379 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c[nH]nc4cc3Br)cc2)CCC1 1790044057 RIUILOCYIHOHRV-OAHLLOKOSA-N 481.394 5.285 30 20 JKED CCOc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(OC)c4)cc3)CCC2)c1 1790074343 OAGUVFWBMDJPRM-UHFFFAOYSA-N 469.541 5.027 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)CC34CCCN3CCC4)cc2)CCC1 1790459057 GHYVYECMFGTDGE-UHFFFAOYSA-N 479.741 5.190 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C(F)(F)F)nc4)CCC3)cc2)cc1 1790703148 IURJGSMSDGWPDX-UHFFFAOYSA-N 478.474 5.228 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nscc45)CCC3)cc2)cc1 1790708820 ZNUJRXMKLBWYHY-UHFFFAOYSA-N 466.566 5.424 30 20 JKED COc1cccc(Cl)c1C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1 1790837183 QPNPGSBVTIXOMY-UHFFFAOYSA-N 499.958 5.158 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5sccc5c4O)cc3)CCC2)c1 1790933983 PEFIMCREDMAHCV-UHFFFAOYSA-N 497.576 5.549 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)CCC2)cc1 1791249926 DHKWIWTYXSRJBW-HNNXBMFYSA-N 470.495 5.542 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)CCC2)cc1 1791573206 AFRUZILFWHYSLI-CQSZACIVSA-N 488.535 5.162 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OCc3ccccc3)C(C)C)CCC2)cc1 1791593074 DWKAQNNJQVCMGP-DEOSSOPVSA-N 477.605 5.038 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4ccncc4)CCC3)cc2)c1 1792123419 ZSHSECZFOMFKPV-OAQYLSRUSA-N 466.585 5.479 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1792203879 FGNBFPLCXSMSIX-LSNLESRRSA-N 495.664 5.560 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)Cc3ccc(C)o3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204557 IDWOJQWABGARRV-QFIPXVFZSA-N 495.620 5.124 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Br)cc3cc[nH]c13)C2 1792572311 XKYRYVHVTBOXIS-REPLKXPHSA-N 472.427 5.175 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800009591 RILDLLZZNGMBIA-RRPPUSTOSA-N 480.052 5.648 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2Cl)C3)c1 1800768196 WKPNVVKLFAZSMG-REPLKXPHSA-N 475.898 5.105 30 20 JKED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1 1800803842 LBWOPIGBFZYUID-BCDXTJNWSA-N 491.897 5.317 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1F 1800854153 CVMCOQPHOPCDQK-NUNAXRQHSA-N 450.529 5.077 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)[C@H]2c2cccnc2)C1 1802412377 DLFFHWXAGIAEBC-GJZUVCINSA-N 492.063 5.609 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2c2cccnc2)C1 1802419303 ZSWLPYCXPZIVKB-QVKFZJNVSA-N 478.807 5.328 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1803081880 IYINLSDOFOAOQO-WIOPSUGQSA-N 485.550 5.117 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1803083926 KPCHHOBKJZDBIC-ZCYQVOJMSA-N 486.641 5.293 30 20 JKED Cc1c(C(=O)N2CCC3(CCCN(C(=O)CCc4ccc(C#N)cc4)C3)CC2)cccc1C(F)(F)F 1804762792 AXNFHMPCOSHXTA-UHFFFAOYSA-N 497.561 5.363 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3ncccc23)[C@@H]1c1cccnc1 1810273931 YJDDHGYRAANYBS-QDPGVEIFSA-N 498.703 5.001 30 20 JKED CC(C)c1csc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)n1 1810275580 YYHOJIAXVIKRHG-XUZZJYLKSA-N 496.753 5.032 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1811786847 KEGGYBDIGCCXEV-RDPSFJRHSA-N 496.995 5.040 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4)[C@@H]3c3cccnc3)sc2c1 1811888438 CUAYXFUGPIOKAW-OZXSUGGESA-N 480.593 5.110 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c1 1813869940 VCUSTIMTSPSBLK-NMJGOYCLSA-N 478.596 5.219 30 20 JKED CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1)c1ccccc1 1814378086 GYXCTNLVOVXWNY-UKILVPOCSA-N 469.589 5.100 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)[nH]n1 1814442294 PLPARNYCFACNFE-OAQYLSRUSA-N 481.000 5.305 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1)c1ccccc1 1818115491 FWBWJTLTLVENEN-OQPAMZIISA-N 476.602 5.096 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1819309072 LPZCJCDSQUWIKA-REWPJTCUSA-N 477.996 5.686 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2cc3cccnc3cc2F)[nH]n1 1819309583 XMTNNQXFKVVCBY-GBXCKJPGSA-N 475.568 5.100 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)cc1 1820433072 QSQSADJZXYCYMD-HXUWFJFHSA-N 482.371 5.137 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(Br)cc2Cl)n[nH]1 1821082656 CYUZPEFXADAXAO-GOSISDBHSA-N 495.780 5.074 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)n[nH]2)C1 1821125963 BQKKCFBNJPFSGG-SFHVURJKSA-N 466.891 5.354 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(OC)c(OC)cc2C)n[nH]1 1821240123 XNCFMPJWWIXSLN-FQEVSTJZSA-N 468.598 5.034 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccccc3F)[nH]n2)c(Cl)c1 1821280658 XFMGKPJFJNJNQC-QFIPXVFZSA-N 479.943 5.013 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1821927665 FPIHFICOFGMMNT-ACJLOTCBSA-N 452.452 5.086 30 20 JKED CCC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)[nH]n2)CC1 1822098116 BJQJXNIGCDPLHB-ZFJSRUIDSA-N 461.610 5.123 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc(F)cc(OC)c2)n[nH]1 1822270542 DGDKFYAATQTMGC-CZQLGGELSA-N 468.573 5.255 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)[nH]n1 1822394242 OFVQEKYYEJKCGT-NRFANRHFSA-N 493.405 5.435 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)[nH]n1)c1ccc(O)cc1 1822466006 KUAJGGPKNQPHAS-MIVRCIJTSA-N 488.613 5.080 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2sc(Br)cc2C)[nH]n1 1822580830 BPKNSDKRRVYMBV-INIZCTEOSA-N 477.428 5.042 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1)NC(=O)OC(C)(C)C 1822983164 SJGPEBBNVURXCR-ZOIIRCJOSA-N 499.656 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cccs3)[nH]n2)c1 1823212644 QEHSMPCUYCYWBU-HBBDQGAXSA-N 459.575 5.118 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(Cl)c3Br)n[nH]2)C1 1823311686 LYDMAHWJIJOOPU-KRWDZBQOSA-N 477.790 5.098 30 20 JKED CCSc1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1823659913 NOWSOEAPKCKUGO-DEOSSOPVSA-N 499.797 5.478 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccncc3-c3cccc(C)c3)CC2)C1 1823700550 XEVCTBXVALMZIA-MHZLTWQESA-N 457.618 5.257 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)C1 1823703459 ZPKNXSXOGKZOGZ-HSZRJFAPSA-N 463.449 5.512 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1823980374 SPKXBXYGWZEKRG-HRFSGMKKSA-N 493.598 5.458 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2C(=O)OC)CC1 1824265957 GFAAEBXHSYVGSP-VWLOTQADSA-N 482.665 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)CC1 1824424394 RZRDKPMBPKNXIN-CLJLJLNGSA-N 466.666 5.303 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824497995 LZFXQUXTMMYBAV-BDYUSTAISA-N 489.100 5.682 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC(C(F)(F)F)CC2)CC1 1824827545 CHHXHCRELOITFW-CTWPCTMYSA-N 464.519 5.186 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1824957622 PCZKPRVKZWWLBZ-LJQANCHMSA-N 478.083 5.102 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1824960907 AHEXJSZSNWCRAQ-AREMUKBSSA-N 478.658 5.631 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1825600446 JZGHDWYZSZPSKR-BVAGGSTKSA-N 496.602 5.357 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCCC2)CC1 1826268993 RCHFHCVSXABZPF-RUZDIDTESA-N 458.763 5.628 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827352750 SXXWDDVNLPWKQI-XMMPIXPASA-N 481.637 5.040 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C)cc2C(F)(F)F)CC1 1827907003 YIWKPUJHDUHJMM-QFIPXVFZSA-N 465.560 5.046 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2ccc3c(F)cccc32)CC1 1828824466 LLCJIHJVKZJGJV-WIOPSUGQSA-N 465.613 5.169 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1828826760 LLRPNLISDSYJSG-RLWLMLJZSA-N 495.067 5.732 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)cc2F)CC1 1828826856 DHZOTLHFVVEBON-ZEQKJWHPSA-N 470.629 5.615 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 1828828608 NJHOYELTONAICN-XNMGPUDCSA-N 459.634 5.545 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1 1828879018 ZOPPYTKOJUENER-XZPFSAAZSA-N 460.709 5.175 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1 1828885685 FWSPJTSELVOXSF-REWPJTCUSA-N 489.081 5.361 30 20 JKED CCSc1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828903425 IGRXPUCNDKNUCN-XMMPIXPASA-N 499.797 5.478 30 20 JKED CCc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc(C)n1 1828905723 XJMHFILBQDPADV-AREMUKBSSA-N 481.757 5.237 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ncsc23)CC1 1829069081 IVXWLBVORPMBCF-JOCHJYFZSA-N 453.652 5.522 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2Cl)CC1 1829151355 SQQUNRHEFTYKME-HSZRJFAPSA-N 474.121 5.019 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)c1 1829957373 LEVOVQIEGIFSJU-QHCPKHFHSA-N 487.497 5.263 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 1831751444 GQWCTXQHSNDLIF-PXJZQJOASA-N 489.635 5.299 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1832029783 PBWXPHIPBKQBNM-GOSISDBHSA-N 455.451 5.482 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1832034485 MLGYGDLLOBYKEZ-HSZRJFAPSA-N 454.014 5.248 30 20 JKED COc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C)c3Cl)CC2)c(C#N)c1 1832603563 QKHAQYMXAKNULC-VWLOTQADSA-N 494.035 5.005 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832702128 DIXWBCOSUNPUQP-SANMLTNESA-N 491.607 5.340 30 20 JKED COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1F 1832751894 CBLRZWVXFAVKTD-YADARESESA-N 477.580 5.008 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C5CC5)cc4)CC3)CC2)c1 1838688386 APQAUXAIQMZDFQ-OAQYLSRUSA-N 485.628 5.117 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2scc(-c3ccc(C)cc3)c2c1=O 8649298 YSDVVOIXISXKAY-MRXNPFEDSA-N 453.633 5.159 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nnc1-c1ccccc1 9449178 MUPWEFYSMOAPKK-UHFFFAOYSA-N 450.589 5.564 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccc(F)cc1 10498793 CWEDFHRKRXUASA-UHFFFAOYSA-N 476.577 5.183 30 20 JKED C=CCN(C(=O)c1ccc(SC(F)F)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 10545353 HAPNKZKSAPIYNU-UHFFFAOYSA-N 480.583 5.361 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(-c3ccccc3)cc2)=C(/S)Nc2ccc(F)cc2)cc1 10828275 SFNRUBOPFIXUHG-UHFFFAOYSA-O 455.578 6.394 30 20 JKED CC(=O)N(c1nc(COC(=O)c2c(C)oc(-n3cccc3)c2C#N)cs1)c1cccc(C)c1C 17188036 GAFZCCFFZOJELP-UHFFFAOYSA-N 474.542 5.365 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 20052920 HDEJCACFNVTVLS-UHFFFAOYSA-N 473.989 5.444 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccc(Cl)cc1 21673318 GAEOACIECSZAAK-UHFFFAOYSA-N 466.010 5.440 30 20 JKED C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 22026278 BKLSYZHTCKMXRQ-UHFFFAOYSA-N 485.034 5.608 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2ccc(Cc3ccccc3)cc2)cc1 22732048 IHXVTZZOXVWGRL-UHFFFAOYSA-O 495.668 6.577 30 20 JKED C=CCn1c(Cc2csc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)n2)n[nH]c1=S 23041929 HRRXXKZMIKOYIZ-UHFFFAOYSA-N 487.010 5.054 30 20 JKED Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C(C)(C)C#N)cc2)n1-c1ccccc1 25439433 MQCYFFOQHGGOGP-UHFFFAOYSA-N 497.624 5.687 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc2c1=O 28678125 GBYQEPVPISPTEU-LLVKDONJSA-N 468.793 5.662 30 20 JKED CC(C)n1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cn1 209773271 KRNWEPCCDKETPS-SEYXRHQNSA-N 450.498 5.319 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCNC(=O)c1cc(F)ccc1Br 303006489 NVRNWTRFKHEBLD-UHFFFAOYSA-N 496.336 5.319 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)CCC(=O)N(CCC#N)c3ccccc3)s2)cc1 303358247 PIKPYSCBAYJYST-IBGZPJMESA-N 460.603 5.331 30 20 JKED Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)c1 481620682 BJIFOMQTZMMLIY-UHFFFAOYSA-N 469.589 5.879 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 482297897 ABFOSVRAVSKMSL-UHFFFAOYSA-N 462.596 5.678 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1 482750177 GYXBWBDCILYTQO-UHFFFAOYSA-N 455.461 5.560 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1 488224766 WASXBVTXQLLRJB-MRXNPFEDSA-N 492.573 5.874 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 489648294 LTAGRIFHSNLEIE-UHFFFAOYSA-N 487.903 6.070 30 20 JKED C=CCN(C(=O)Cc1csc(-c2cccc(C)c2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 499134774 HRKSCMMHAVDOJD-UHFFFAOYSA-N 476.583 5.912 30 20 JKED C=CCN(C(=O)COc1ccc(C(N)=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 499311758 JFONIPZYDNPVJX-UHFFFAOYSA-N 469.566 5.174 30 20 JKED N#C[C@@H](C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1nc2ccccc2n1C(F)F 501317694 XJFSLHVIHLNQBK-HNNXBMFYSA-N 486.404 5.398 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nnc(-c2ccc(C)cc2)o1 503849765 ZJENYOCKFGKONG-UHFFFAOYSA-N 453.955 5.347 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 506731468 LQSNQEVJCJMSMF-UHFFFAOYSA-N 483.587 5.410 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C)[C@H](C)c1ccc(C#N)cc1 509597655 CDIRIQVZVZFBCA-GOSISDBHSA-N 465.550 5.030 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2n1C(F)F 510022163 BUPWHDUCDVWJQO-KXBFYZLASA-N 479.918 6.623 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1Cl 510023279 LQTAHYDDGWBFQE-VWLOTQADSA-N 476.983 5.874 30 20 JKED CCc1cc(C#N)c(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)s1 511112108 SPRYUJNYVNKJAM-UHFFFAOYSA-N 473.558 5.198 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 511404894 NJUMOABMORESIA-UHFFFAOYSA-N 478.552 5.627 30 20 JKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 511556066 YYIGADNYWAGHPF-KSFYIVLOSA-N 466.368 5.807 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 513214950 QNELRBAWAJXFPK-OAQYLSRUSA-N 476.458 5.511 30 20 JKED CN(CCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 514544205 QGDCWTLPLIZVER-HSZRJFAPSA-N 499.995 5.174 30 20 JKED COc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1OCc1ccc(Br)s1 515094977 MSHHTHMGCKZPGM-UHFFFAOYSA-N 485.403 6.152 30 20 JKED C=CCn1c(SCC(=O)NCCc2cccc(Cl)c2Cl)nnc1-c1ccc(F)cc1 515423259 IDYDEPSMRNOOBP-UHFFFAOYSA-N 465.381 5.028 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(OC(F)F)cc1 515894995 XCQVLOSKHIZXHF-CQSZACIVSA-N 485.874 5.421 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 516258677 SSRKPXCWKHMMSF-QGZVFWFLSA-N 453.995 5.926 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)O[C@@H](C)C2 517388926 MARGTWBRQSJZPS-JTJYXVOQSA-N 484.600 5.089 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NCc3cn(Cc4ccccc4)nc3-c3ccccc3)CC2)c1 517913755 CGXVCTVLJIOJEY-UHFFFAOYSA-N 491.595 5.223 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 518676727 NUUHEIZBWIWDGJ-XMSQKQJNSA-N 451.592 5.029 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 520127597 QMDJBWGFRFBZOJ-UHFFFAOYSA-N 487.003 6.135 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 521770033 YJQODDOTEUODIP-SFHVURJKSA-N 460.390 5.171 30 20 JKED CCCC(=O)Nc1nc2ccc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2s1 576880547 QYQOIUAMELAJGL-UHFFFAOYSA-N 486.601 5.681 30 20 JKED N#Cc1ccccc1OCC(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 592950564 RCESDHINOYUVSB-LJQANCHMSA-N 487.503 5.292 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1Cl 603758833 JZZIRFYJLRKTIN-LJQANCHMSA-N 489.837 6.097 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 604132204 PHHXXOUMKFQKCR-AWEZNQCLSA-N 487.865 5.839 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 604448075 JDVSQXHUDYVNLP-AWEZNQCLSA-N 452.854 5.022 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nnc(-c4cc5ccccc5o4)o3)cn2)cc1 608786369 UGLIEXUGIZEDMS-UHFFFAOYSA-N 451.442 5.113 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 609079739 JYLCILGWPGGWJO-QFIPXVFZSA-N 480.612 5.893 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609401799 XDKQDFWHKPCDIQ-UHFFFAOYSA-N 490.334 5.615 30 20 JKED O=C(c1cc(F)ccc1F)C1CCN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 612804233 GIYADHFDDCUKAW-CHWSQXEVSA-N 486.403 5.479 30 20 JKED C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 613407065 GZTLBKWGXZPOGO-KDOFPFPSSA-N 474.007 5.003 30 20 JKED O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301117 KBJHCWAPRKTWIV-OKILXGFUSA-N 474.380 5.005 30 20 JKED C=CCc1cc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc(OC)c1OC 642602412 UXQQMDQYUHJWSR-UHFFFAOYSA-N 459.329 6.179 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2[C@H](C)c2cccnc2)cn1 726109580 CPPHWXKZKZJZGO-KOSHJBKYSA-N 498.612 5.173 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCc2ccc(Cl)cc2)cn1 726111792 MBZHJXSQWOUQMU-QFIPXVFZSA-N 496.036 5.068 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(Cl)s1 726572088 QTBPNXOSGUZLDN-UHFFFAOYSA-O 461.419 6.100 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/CCc3nc(-c4ccc(C)cc4)sc3C2=O)cs1 727653968 DEJIGLBUPWPLMO-ZHZULCJRSA-N 485.634 6.781 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1ccccc1-n1cncn1 727780636 QVCLEDFMTAKBIN-FLIBITNWSA-N 451.349 5.358 30 20 JKED CCOc1cc(/C=C\C(=O)c2sc(-c3ccc(OC)cc3)nc2C)ccc1O[C@H](C)C(=O)N(C)C 727973944 CGUOVXISEAUYET-DVNIYVAHSA-N 494.613 5.277 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(OC(F)F)cc1 728777342 KHTDOCDWSFKLSS-LJQANCHMSA-N 490.507 5.081 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Br)c3)N(CCCCC#N)C2=O)cc1 728780655 WGDDMXULSPAUKO-FQEVSTJZSA-N 499.434 5.412 30 20 JKED N#Cc1cccc(OC2CCN(Cn3nc(COc4ccccc4Cl)n(C4CC4)c3=S)CC2)c1 729472726 VGNFPFAXZPBQRK-UHFFFAOYSA-N 496.036 5.354 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O 730459126 HORZYMXCVKEDGN-QHCPKHFHSA-N 487.581 5.359 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)n1 730586772 PBWSNPSRLICXNP-UHFFFAOYSA-N 499.568 5.006 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccsc2)C1=O)Nc1cnccn1 730720351 JJLOOPUXSXRCTK-MRXNPFEDSA-N 492.413 5.005 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(C(C)C)c1 730728123 YSCFJXWEPIEXHQ-LJQANCHMSA-N 479.631 5.130 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 730919328 BVOKFTAIXSHUQX-UQBPGWFLSA-N 474.582 5.135 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N([C@@H](C)c2cccnc2)C1=O 730944686 YZULZGJLXGMWGM-CYFREDJKSA-N 488.613 5.429 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730944978 JQAAOJBQFXKRBZ-KSFYIVLOSA-N 480.540 5.390 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 731059477 BBCHTGUMFCKUFI-KRWDZBQOSA-N 471.538 5.685 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(-c2c(F)cccc2F)n1 731079306 YYRVDZAYZMDUJF-CYBMUJFWSA-N 473.526 5.136 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cc(Cl)c2c(c1)OCCCO2 744728055 LREHMRUEUAVOSX-UHFFFAOYSA-N 455.754 5.238 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN3C(=O)c3ccc(Br)cc3)n2)cc1 750396390 WRGIWODYHBNWBZ-FPOVZHCZSA-N 494.414 5.362 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)c4cn(CCC#N)c5ccccc45)cc3)o2)cc1 755211828 SNMPSFIESNXMOQ-UHFFFAOYSA-N 490.519 5.620 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 837301523 ZJCNJCNWDWAHKO-VFNWGFHPSA-N 466.513 5.081 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H](c2ccccc2)C2CC2)C1=O 837515195 OBRDTZPEWBOLDY-AOYPEHQESA-N 485.609 5.807 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CCN(C3CC3)CC2)C1=O)Nc1cccc2ccccc12 837535714 IIUJKGUEIFPWEI-AREMUKBSSA-N 498.652 5.427 30 20 JKED COc1ccc(Cl)cc1NC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccc(C#N)c1 839392513 MYPQUHOFVXCYOL-RUZDIDTESA-N 486.959 5.399 30 20 JKED C[C@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 857340328 PXQQLUGXWQLDBS-ZDUSSCGKSA-N 458.630 5.161 30 20 JKED Cc1oc(NC(=O)COC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c(C#N)c1C 900016370 NHZRUNIZDLHBPI-UHFFFAOYSA-N 459.433 5.025 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1sccc1C 914557607 QXUXREKJKOHSNZ-HXUWFJFHSA-N 483.590 5.365 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 915019423 RBHBZCJFVYLDPA-UHFFFAOYSA-N 460.555 5.321 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 915087342 SBNWURIXSYJOEN-XTEPFMGCSA-N 493.994 6.495 30 20 JKED O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 915104211 DUHHABZJYMGXJN-UHFFFAOYSA-N 468.279 5.576 30 20 JKED CCOc1cc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)ccc1OCc1c(Cl)cccc1Cl 916137463 VTZJCIZCYBPJFP-ISGGHPHESA-N 475.324 5.199 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3ccccn3)C2=O)cc1 916204867 JMGKPKSLWITJHN-OAQYLSRUSA-N 482.968 5.343 30 20 JKED Cc1sc2ncn(N=Cc3ccccc3OCc3ccccc3)c(=O)c2c1-c1ccccc1 916283726 PHUJIRVNESBBNQ-UHFFFAOYSA-N 451.551 5.895 30 20 JKED CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 916449761 LBLIZKSPZLJVSJ-UHFFFAOYSA-N 457.530 5.931 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916847971 XQRQBUMJSPVCOZ-ABAIWWIYSA-N 488.432 5.395 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)c2cnn(C(C)C)c2n1 916883087 NOXPKYMLDQWHFW-OAQYLSRUSA-N 471.948 5.602 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 916883823 UZYXWISHEKGCEK-GOSISDBHSA-N 459.811 5.507 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 916915474 KAXIZLKDFPSWLD-JOCHJYFZSA-N 471.605 5.676 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 916927939 QGGUXKKRJZNOHO-SFHVURJKSA-N 469.324 5.542 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1csc(-c2cccc(Cl)c2)n1 916944448 DTKVVQUNGDQXPK-HNNXBMFYSA-N 450.734 5.731 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 916972568 NWURKKYDFOYGKG-ZEQRLZLVSA-N 465.578 5.856 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043892 OWRSJVSVJHCRKS-OAHLLOKOSA-N 492.885 6.151 30 20 JKED CCCCOc1cc(C=Nn2c(S)nnc2-c2cccc(Br)c2)ccc1OC 917595055 XUIJTQVZHMHDAT-UHFFFAOYSA-N 461.385 5.066 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917676278 OWVXUHJCYPFWAP-IBGZPJMESA-N 473.982 5.701 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3sccc3C)C2=O)cc1 917703042 KKTPRMJIGIDDGQ-NRFANRHFSA-N 474.611 5.397 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccccc1F 917703462 MTPKDFLZXYVUME-HSZRJFAPSA-N 490.535 5.039 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(C[C@@H]3CCCO3)C2=O)cc1 917712869 IKRWKUMCZDKACW-ZEQRLZLVSA-N 493.629 5.152 30 20 JKED Cc1oc2cc(OS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2c(=O)c1-c1ccccc1Cl 917867929 JWJYVNIHHATQQH-UHFFFAOYSA-N 486.332 5.715 30 20 JKED N#CCOc1ccccc1C(=O)Oc1c(Br)cc(Br)cc1Br 919972289 POZWVWXPVZBRJS-UHFFFAOYSA-N 489.945 5.096 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 920106345 XJUAXLWEVGIDQF-KRWDZBQOSA-N 490.313 5.290 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1 920205613 OJHFLSYZAMVXTE-JWQCQUIFSA-N 485.996 5.901 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2c(C)noc2C)cc1 920354590 DBGFXYIVOOEFQP-QFIPXVFZSA-N 498.555 5.293 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804604 WYXADJDKUIULMX-GDBMZVCRSA-N 471.554 5.333 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)C1 1780015667 GNIHPUJNNIRINA-RBTNQOKQSA-N 489.641 5.108 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3OCCc4ccccc43)cc2)CCC1 1786313362 AMUSYCXJFJXHJY-QFIPXVFZSA-N 454.517 5.036 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4ccccc4)cc3)CCC2)c(Cl)c1 1787724615 IDDRZWPTZGHVOO-UHFFFAOYSA-N 459.933 5.038 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2)CCC1 1788685459 ITHFRFBXVMDMTG-SFHVURJKSA-N 491.617 5.062 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CCC1 1789151249 IPFJGMZQXLLUKW-ZEQRLZLVSA-N 467.009 5.560 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789188921 DVZQEALCBNSVPM-LEWJYISDSA-N 483.653 5.370 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)cc3)CCC2)cc1 1789532469 JPJJRCQBYORRHT-KKUQBAQOSA-N 479.605 5.388 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(SC)c4O)cc3)CCC2)c1 1790066802 XUDSGDSXOJDDDR-UHFFFAOYSA-N 487.581 5.056 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@](C)(NC(C)=O)c3ccccc3F)cc2)CCC1 1790573565 IMEDMWKERDGISC-MUUNZHRXSA-N 491.607 5.080 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(F)c(F)cc4F)CCC3)cc2)cc1 1790707868 RFFRZOOBQLRYNJ-UHFFFAOYSA-N 463.459 5.231 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)CCCOc3cccc(Br)c3)CCC2)cc1 1791570620 OGNYNZIKHRBNAC-MRXNPFEDSA-N 491.451 5.061 30 20 JKED CC(C)N[C@H](C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1)C(C)C 1792122274 ILUDXMAQZNBMSM-CPJSRVTESA-N 460.622 5.084 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc(Cl)n4)CCC3)cc2)c1 1792123160 KTACYULYGPVFJV-GOSISDBHSA-N 472.976 5.352 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4Cl)CCC3)cc2)c1 1792124596 ABESYXITSUJSFX-KRWDZBQOSA-N 458.949 5.424 30 20 JKED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccccc3Cl)CCC2)cc1 1792331447 WACMEMVSFPVDHE-QFIPXVFZSA-N 496.007 5.004 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)Cc1cccc(Br)c1)C2 1798337976 ZPYIXZQGHDLGQQ-LDBVRRDLSA-N 473.455 5.034 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C)C2 1798340355 VHUXHVPRLXYHPW-BJESRGMDSA-N 495.664 5.671 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)c1 1800279897 JTGZROMWOFTRFK-XUJYPJAKSA-N 485.534 5.322 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cc(F)ccc3OC)cc1Cl)C2 1801638012 ZITBRSHDMOKQBX-RZXSNQJFSA-N 484.999 5.619 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1802491149 HYTARQLWBOIAPQ-ZNEAUCHSSA-N 470.617 5.275 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CC[C@H]3CNc4ccccc4C3)CC2)C1 1804859208 HISNLSVBZAZDTP-HSZRJFAPSA-N 465.682 5.275 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(N4CCCC4)c(F)c3)CC2)C1 1804865362 PHPNNBYAWFVXCH-UHFFFAOYSA-N 469.645 5.263 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)C1 1805458230 BPHILXRGCMCISR-UHFFFAOYSA-N 489.616 5.145 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)C1 1805458350 IYEPUDPGNCGIGQ-UHFFFAOYSA-N 462.556 5.248 30 20 JKED CC(C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)C1)c1ccccc1 1805622944 DGJKYVPGXUUBBC-VWLOTQADSA-N 478.036 5.496 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCCOc3ccc(C(C)=O)cc3)C2)CC1 1805670225 REKRTVXPWXFXQW-UHFFFAOYSA-N 482.665 5.272 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)C4CCC(C(F)(F)F)CC4)C3)CC2)c1 1806473075 UOLJMESCHGZGNV-UDTLNKQYSA-N 489.582 5.527 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCC3(CCCN(C(=O)C(F)(F)C(F)F)C3)CC2)cc1)C(F)(F)F 1806503480 JSVAAKZXZUBAQO-HNNXBMFYSA-N 496.467 5.027 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CCc4ccccc4Cl)C3)CC2)c1 1809357636 WQOWIALAURWRFP-NRFANRHFSA-N 478.036 5.445 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H]3CNc4ccccc4C3)C2)CC1 1809842297 ZMALRPBWMLKJKC-QHCPKHFHSA-N 465.682 5.275 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810174396 NILTWMYKWSCOFX-MZYLBHOOSA-N 471.523 5.188 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C)c2F)[C@@H]1c1cccnc1)c1ccccc1 1810441709 WIXCJYPZDOSQJU-PNIUZAESSA-N 483.587 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(Cl)s2)[C@@H]1c1cccnc1 1810492900 RHSRKYQNRXAACQ-XMSQKQJNSA-N 460.043 5.037 30 20 JKED N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CCC3CCCC3)[C@H]2c2cccnc2)cc(C(F)(F)F)c1 1811867831 BXTLDQZHQCUBCL-OFVILXPXSA-N 498.549 5.262 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1811868500 KFDCNXPYMAENDN-NZQKXSOJSA-N 498.549 5.284 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)[C@H]1c1cccnc1 1813226205 LIZRDYCXZYSYJN-SBUREZEXSA-N 476.379 5.041 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(F)ccc3Cl)[C@H]2c2cccnc2)c1 1813867182 DMYLPJSPUFSWHG-ZIYZLLSTSA-N 490.966 5.135 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1813868342 LVBRCGLZCAYUGD-RTGAMMJTSA-N 487.003 5.304 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCC(F)(F)C2)n[nH]1)c1ccccc1 1814388218 BWEREURINSGPTF-JAXLGGSGSA-N 468.548 5.034 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3CCCCC3(F)F)n[nH]2)c(Cl)c1 1815353267 UPBFZWRABDTJKA-LPHOPBHVSA-N 475.927 5.066 30 20 JKED C=CCCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3)[nH]n2)c(O)n1 1816242019 VTKPETZRUKMAPS-NRFANRHFSA-N 497.958 5.041 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C)oc2C)n[nH]1)c1ccccc1 1816415923 KHQUQZZAZRHETP-QPPBQGQZSA-N 458.562 5.123 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC#N)n[nH]1)c1ccc(OCc2ccccc2)cc1 1816747764 AWTLDXHOOLIXRY-NAKRPHOHSA-N 499.615 5.334 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccnc(OCC(C)C)c2)n[nH]1 1818129576 HHAXHIBUKIAVMG-NRFANRHFSA-N 467.614 5.138 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)C(=O)CC3)[nH]n1)c1ccccc1 1819520559 MBISSBWJRMVMFK-OZXSUGGESA-N 494.595 5.042 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cccnc4s3)[nH]n2)c1Cl 1820219380 QNSUNTNVSUTRND-SFHVURJKSA-N 490.976 5.164 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@]2(F)Cl)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821155167 KVICSGCSUAQJRP-JEYPMZLKSA-N 490.966 5.040 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c1 1821182514 ARZMGKYUDQKOTJ-JOCHJYFZSA-N 461.953 5.057 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]n1 1821924611 FEORUIOIOFXXLW-RDTXWAMCSA-N 467.551 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)[nH]n2)c1 1823211070 CFZFFIUBMWXUJE-FOIQADDNSA-N 473.558 5.464 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)[nH]n2)c1 1823218172 YXANJKJYJXRJCX-JLCFBVMHSA-N 481.478 5.074 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC(F)(F)C2)CC1)c1ccccc1 1823694722 ZGELBZTUOMBBHH-SDHOMARFSA-N 470.604 5.239 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)nc4ccccc34)CC2)C1 1823700744 WWBHHHGNEKVTCP-QHCPKHFHSA-N 451.998 5.088 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(Br)c3)CC2)C1 1823702190 VPCZWSYCUVRMQK-OAQYLSRUSA-N 479.846 5.302 30 20 JKED CC1(C)Cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)CC3)c2O1 1824052370 JUBVRKOCPNXGSZ-MHZLTWQESA-N 499.655 5.138 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 1824052730 PGHRANZBTUXACA-SANMLTNESA-N 478.036 5.007 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c1 1824053945 AVJQPFBSHZNTCE-YREICUCLSA-N 461.650 5.081 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC(=O)OC(C)(C)C)CC2)c1 1824219813 CKFNYACCJUPEIM-OFVILXPXSA-N 495.664 5.059 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)CC1 1824648895 ZNSLZOFJIZEWQZ-DHIUTWEWSA-N 480.716 5.483 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)n1 1825382916 HSXUMMRDVUYSGU-DEOSSOPVSA-N 478.662 5.004 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 1825855750 UMJJNWCCSXLBNF-IBGZPJMESA-N 476.429 5.474 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)CC1 1828773040 IEBCHGQYMZRTOW-UGKGYDQZSA-N 460.709 5.617 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccc(F)cc2F)CC1 1828820977 HQZCBTLAQDBSFV-JTHBVZDNSA-N 476.633 5.445 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2F)CC1 1828827502 OGTQXOHDDIUHRL-SQHAQQRYSA-N 482.640 5.616 30 20 JKED COc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)cc1C 1828903204 CKAFZBFUUIWUEU-AREMUKBSSA-N 496.768 5.217 30 20 JKED COc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1828908794 VTHFAPDKNAEWSR-RUZDIDTESA-N 486.704 5.119 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)CC1 1829419195 NPMIVXAKKCFRMK-QHCPKHFHSA-N 463.647 5.237 30 20 JKED C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1830406304 OCPAXJRUAURQPK-XXAUWVGASA-N 473.617 5.014 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830418315 TZSCAZHRKICKQW-YWZLYKJASA-N 486.415 5.167 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830730305 DGNCWYDOVAJPQI-LJQANCHMSA-N 473.441 5.285 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831298084 ZPMVNJIGEDHNLV-XMSQKQJNSA-N 450.545 5.080 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831301672 GSKUOZOJKOVKSV-QHCPKHFHSA-N 475.098 5.301 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1)C(F)(F)F 1831453108 MHACICZONHGJEL-JOCHJYFZSA-N 489.513 5.240 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831484056 ULWMZOXHGMFJSJ-GPXXLQEOSA-N 490.688 5.335 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 1831852351 FJCJIXXWNCUTJG-NRFANRHFSA-N 479.846 5.139 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4n3C)CC2)c1 1832631381 DFVMDMQEODFOHG-KDYSTLNUSA-N 482.628 5.352 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1 1832634294 UDNQLICTXFBVRW-ZBLYBZFDSA-N 496.611 5.516 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 8989167 JBGMJSXPBMMHNZ-GOSISDBHSA-N 480.037 5.470 30 20 JKED C=CCn1c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccccc1OC 11076755 AXBPYGPERXFKQS-UHFFFAOYSA-N 473.480 5.501 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082939 CBWFZEMVNHMLCI-UHFFFAOYSA-O 471.568 6.654 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)ccc2C)[n+]2ccccc2CC)cc1 11252229 OKQREVQMVKEYKG-UHFFFAOYSA-O 461.607 5.381 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(N(C)C)cc2)cc1 11252623 JPJSVNRJKBCBKW-UHFFFAOYSA-O 490.649 5.391 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2C2CCCCC2)cc1 11366536 FJPHFXLAXRBMNS-KRWDZBQOSA-N 461.591 5.450 30 20 JKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2n1C[C@@H](C#N)CCC#N 14301122 PYOWNHBGUWBVON-VGSWGCGISA-N 482.415 6.304 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCc2ccccc2C#N)cc1 14639767 ABPPCDKECGWZFM-WSDLNYQXSA-N 453.523 5.273 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)c(Cl)c1 15248345 SLRCYWXZIYQKRM-UHFFFAOYSA-O 478.852 6.910 30 20 JKED CCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)Nc1c(Cl)cccc1Cl 16443437 UVMVRMHTDDPEEW-UHFFFAOYSA-N 493.460 5.485 30 20 JKED Cc1nc2ccccc2c(C)c1CC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 16834436 HZJPAGPHLMDAJO-KRWDZBQOSA-N 461.587 5.167 30 20 JKED C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccccc1 21684679 JCDQDZLWJWEVCC-FQEVSTJZSA-N 485.588 5.560 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccc(Br)cc1 21927691 IQCHNVNQNZQDRB-HNNXBMFYSA-N 457.397 5.037 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccc(F)cc1 21970632 ACYCOOKMGAJDHB-UHFFFAOYSA-N 460.534 5.793 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nc2sc(C)c(C)c2c1=O 23404927 OAHSQHKOTNUPKQ-ZDUSSCGKSA-N 478.437 5.143 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nc3scc(-c4cccs4)c3c(=O)n2C)CC1 23539510 BRCSNZLFEISVCJ-VZSHHBOJSA-N 486.688 5.135 30 20 JKED C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 25438698 SIYWTVLLCRBCLE-INIZCTEOSA-N 488.638 5.713 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)C2CCC(C)CC2)c1 25624849 ZQHXTVBFUVULKI-UHFFFAOYSA-N 461.027 5.372 30 20 JKED Cc1nn(CC(C)C)c(C)c1CCC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 25819690 DBOLYUVVYLOHBZ-UHFFFAOYSA-N 481.641 5.066 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 29202554 JONLSZXPVMUUCH-UHFFFAOYSA-N 467.529 5.108 30 20 JKED O=C(/C=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1cccc(N2CCOC2=O)c1 60203605 MBJYCMIRRMXLHT-AHKGRUIUSA-N 459.342 5.411 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)N1CCCC1 71923173 DFAWTNQXONPSFV-MHZLTWQESA-N 484.600 5.299 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 71982119 VVSUQXIRQJVZKG-UHFFFAOYSA-N 455.583 5.768 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 72012217 KATSPAVJOZPNOT-UHFFFAOYSA-N 495.570 6.123 30 20 JKED COc1cc([C@@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)ccc1OC1CCCC1 117259950 WGDOQABALRRZHR-GOSISDBHSA-N 453.608 5.178 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 409571296 PWEUJHXKTJUSFX-MRXNPFEDSA-N 474.374 5.174 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N(Cc3ccccc3)Cc3ccco3)cc2F)c1 480945919 QCZIKZUFWAKJPT-UHFFFAOYSA-N 483.499 5.037 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F 485679998 CWYXXIOJPGNWGG-JTQLQIEISA-N 482.352 5.066 30 20 JKED N#C[C@H](C(=O)c1cc2cc(Br)cc(Br)c2o1)c1ccc(C(F)(F)F)cn1 492515221 LWKOVQNWSBYHCE-NSHDSACASA-N 488.057 5.862 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Cc3csc(-c4ccc(Cl)cc4Cl)n3)CC2)cc1 497947548 DIOAZMLKNNCIQS-UHFFFAOYSA-N 485.440 5.266 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1C 501445486 RLNIQGYTIRJLEU-UHFFFAOYSA-N 471.586 5.242 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c1C 501629452 RKBKYLXBZUZKFW-UHFFFAOYSA-N 488.638 5.162 30 20 JKED C=CCn1c(SCCOc2ccc(Cl)cc2Br)nnc1-c1cccnc1 503713497 BHMXXVSKFGUEPN-UHFFFAOYSA-N 451.777 5.113 30 20 JKED Cc1ccc(I)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 508926508 KGCCTYPSFPKFQB-UHFFFAOYSA-N 469.282 5.219 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 510222525 MFKBAPZENYKPRA-UHFFFAOYSA-N 494.528 5.289 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1 511033441 UWJGSUPIYLPXQE-UHFFFAOYSA-N 457.496 5.716 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1 511870645 AAXLZKWJFBCMPX-UHFFFAOYSA-N 478.536 5.368 30 20 JKED C=CCN(C(=O)C[C@H]1CCCc2cc(OC)ccc21)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 512594833 FQCMJSFXXZWFAJ-HXUWFJFHSA-N 496.654 5.251 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2ccc(Cl)s2)n1 512784423 XZNUBZMLVQCDNM-UHFFFAOYSA-N 452.948 6.145 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 513652919 CIECGGZYNQSSKV-OAQYLSRUSA-N 495.560 6.091 30 20 JKED C=CCn1c(SCc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)nnc1-c1ccccc1OC 514723221 OSWGRFOVHCILBW-CQSZACIVSA-N 478.647 5.144 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cc1 516269890 CDUZIVDBALDZFA-OXJNMPFZSA-N 499.552 5.785 30 20 JKED CC(C)(C)c1nc(CN2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cs1 517530301 QBCYOSHWBNVFEY-UHFFFAOYSA-N 475.618 5.454 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 518159555 YCDQUWRQBXYFOW-BCHFMIIMSA-N 485.609 5.108 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 518563482 DCELJZKMMLZWJW-QFIPXVFZSA-N 467.447 5.407 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 518690517 NWMBLIRJMOIAJW-UHFFFAOYSA-N 492.373 5.661 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccc(OC(F)F)c1 518778482 LYYRWPPMMVHWPC-INIZCTEOSA-N 481.524 5.381 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 518874675 YTKXPPWQVJULJN-AREMUKBSSA-N 471.557 5.881 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2ccc(F)cc2Cl)cc1 519441559 MVZYKPDXHQFZGZ-HSZRJFAPSA-N 481.980 5.638 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 521062146 ZZTFQPJKPFZELD-UHFFFAOYSA-N 459.977 6.040 30 20 JKED C=CCn1c(SCC(=O)N[C@H](CC)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1Cl 521487170 BDXQBKCHPFRXRY-MRXNPFEDSA-N 482.462 5.562 30 20 JKED Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 523230501 DGXIEVZOFYBNEL-FQEVSTJZSA-N 461.506 5.683 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(Cc4cccs4)n3C3CC3)c2C#N)C1 589943809 OSNUZAKXGPZTDF-AWEZNQCLSA-N 483.688 5.444 30 20 JKED C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@H](C)c1cccc(-n2cnnn2)c1 596295966 WTTGKUFUAABFMN-UZUQRXQVSA-N 450.974 5.116 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c(C#N)c(C)c1C 604098357 XXNZNDZMZOYUCD-UHFFFAOYSA-N 454.939 5.108 30 20 JKED CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 604157510 WWRKFJCQUDKLQV-UHFFFAOYSA-N 468.340 5.041 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccco2)cc1Cl 604159708 NMUCZYLDPLHCKH-HSZRJFAPSA-N 473.916 5.349 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 608841404 KBEXJOQOALAQDA-UHFFFAOYSA-N 463.559 5.198 30 20 JKED Cn1c(-c2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)nc2ccccc21 608954436 NKGRBSCEZVYUBF-UHFFFAOYSA-N 492.539 5.215 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)c2)cc1 608994152 HODLPNYRBJSKRI-RUZDIDTESA-N 469.541 5.472 30 20 JKED Cc1ccc(OC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)cc1C 609079036 YELSEURTHYHPJY-UHFFFAOYSA-N 469.585 6.138 30 20 JKED CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087330 IIRZBGRDYSKEOE-UHFFFAOYSA-N 483.955 5.541 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)CC2)c1 609207892 OQBCQZRINMHFKH-UHFFFAOYSA-N 462.937 5.261 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc1C 609382377 ROLWXAJBNRNJSK-MRXNPFEDSA-N 469.358 5.473 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 609404929 DTZDBMQUFLRUFS-UQBPGWFLSA-N 455.583 5.051 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3C)n2)cc1 613318321 YAVOIDILCHBAGQ-CVDCTZTESA-N 493.654 5.480 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)o1 613320270 YYNAOIHNJYRRNK-IBGZPJMESA-N 459.914 5.997 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc12 613401973 VTQOSYHUMOCONK-MRXNPFEDSA-N 465.460 5.769 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cccc(C(=O)Nc2ccccc2)c1 614382518 JQPBNXDIXLDUCS-UHFFFAOYSA-N 474.561 5.727 30 20 JKED C=C(C)CN(CC)C(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)o1 642235541 XORUNSWLGYSPCJ-UHFFFAOYSA-N 458.587 5.777 30 20 JKED C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 726245201 HXXGAPNICOWVCU-NRFANRHFSA-N 472.564 5.007 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1C 726403268 ZPMRKLBPKUCPCG-NZQKXSOJSA-N 467.635 5.306 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 726407243 PZJDWWCZQTWALB-KSFYIVLOSA-N 492.988 5.396 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N([C@H]2CCCC[C@H]2c2ccccc2)C1=O 726408512 FRGZXACBHIZRPF-BVSLBCMMSA-N 481.021 5.006 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1csc2ccccc12)c1cccs1 726414925 DKARUKYUQWIRLA-MPNDCYLCSA-N 469.657 5.193 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(C)C)C2=O)c(OC)c1 726416665 YZRFHKDZHJHZPH-QHCPKHFHSA-N 499.633 5.107 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3cscn3)C2=O)cc1 726421269 PAWPTFUJEABWDI-HQTCEHPBSA-N 470.645 5.103 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 726571509 WLSJMDOODRBTAG-UHFFFAOYSA-O 466.030 6.065 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C\c1cnc(N2CCOCC2)s1 727974710 MTJQMIOIUVALSK-SREVYHEPSA-N 476.421 5.070 30 20 JKED COC(=O)c1occc1CN(C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)[C@@H](C)c1ccccn1 728275094 YLJCPOCZNQLPHK-FQEVSTJZSA-N 482.540 5.144 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C 728669982 WEQSOKLEZKYHCN-UHFFFAOYSA-N 453.498 5.071 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 728767244 YPBITERTEBPQRH-DNVCBOLYSA-N 479.631 5.295 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCCC#N)c1C 728776996 HQLIXKAFELQTKC-NRFANRHFSA-N 452.555 5.097 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)cc1F 728777655 KBBBVVPYFNEGJA-QFIPXVFZSA-N 482.581 5.105 30 20 JKED COc1ccc2oc(C(C)=NNc3nc4ccccc4c(=O)n3CCCOC(C)C)c(C)c2c1 729144378 ZKZZUIDSONZXHT-UHFFFAOYSA-N 462.550 5.111 30 20 JKED Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2S[C@H](C)C(=O)N(C)CCC#N)cc1 729248119 TZESFNRWYMNNLJ-HQXXTQMQSA-N 474.630 5.356 30 20 JKED COc1cccc([C@H](C#N)NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)c1OC 729428282 BQFMDAUSPANKSF-SFHVURJKSA-N 466.950 5.061 30 20 JKED Cc1cccnc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 729633610 FQDQCMFEJLBGFQ-HXUWFJFHSA-N 499.423 5.857 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(CCc3c(C)noc3C)C2=O)cc1 730444108 JLSWVCSWXZHNQD-DEOSSOPVSA-N 490.629 5.420 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccn1 730523621 FJEQRWJYGFMBMZ-QFIPXVFZSA-N 480.540 5.083 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cocn1 730709003 MAYPZJDNQQCMDV-HSZRJFAPSA-N 470.554 5.297 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2cocn2)C1=O 730726187 BWIBFURREBHCAQ-QFIPXVFZSA-N 497.020 5.920 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2cocn2)C1=O 730729398 LUGAHAPFIOZXRM-GHZZFFRASA-N 498.630 5.115 30 20 JKED C#Cc1cccc(N(C)C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)c1 730752975 ZGHIMEDDMQDVTH-UHFFFAOYSA-N 472.776 5.216 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)s2)cc1 730921553 WHQCYSJGVXETON-KBMIEXCESA-N 494.620 5.898 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730943595 HARDDDZZPATZTD-HTAPYJJXSA-N 462.550 5.251 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 730945565 UOXBSMQUYOARAN-BXKMTCNYSA-N 488.588 5.431 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 731061470 BITBOMMVSAOYRF-SFHVURJKSA-N 499.567 6.231 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310810 QMHRQPYIKYXXIC-KSFYIVLOSA-N 481.549 5.106 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc3cccnc23)C1=O)Nc1ccccc1 744997550 RMJFLHPBJRMFNI-HSZRJFAPSA-N 484.556 5.534 30 20 JKED COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 746658224 DHBNLABKBVNAND-UQBPGWFLSA-N 481.518 6.602 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1 747599163 GRDFTBZVTVDOCP-GOSISDBHSA-N 491.425 5.610 30 20 JKED Oc1c(Br)cc(Br)cc1C=Nc1ccccc1OCc1cscn1 749451589 IURJCYLFERVJCP-UHFFFAOYSA-N 468.170 5.703 30 20 JKED Cc1oc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)c(C#N)c1C 821700986 QUKKHAKBKFMIAH-AQTBWJFISA-N 481.508 5.582 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N([C@H](C)c3cccnc3)C2=O)cc1 837485606 OSKPJKZKTNKLLF-OPAMFIHVSA-N 496.995 5.904 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](C)c2ccccn2)C1=O 837543688 CKJQOLZNPGLBRH-YADARESESA-N 488.613 5.592 30 20 JKED N#CCCN(C(=O)CCc1nc(-c2ccc(Cn3cnc4ccccc43)cc2)no1)c1ccccc1 904472842 KBFBKXKOENMKME-UHFFFAOYSA-N 476.540 5.014 30 20 JKED CCN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H](C)c1ccc(C#N)cc1 914509637 UPNMYUJXBSRANZ-ZGPWBKFBSA-N 469.657 5.211 30 20 JKED N#C[C@H](C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 915101881 NUCHMMRTIKGWLJ-LJQANCHMSA-N 482.970 5.520 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 915105254 XKZBVAZTFVIMNM-GOEBONIOSA-N 486.578 5.703 30 20 JKED Cc1sc2ncn(N=Cc3ccc(OCc4ccncc4)cc3)c(=O)c2c1-c1ccccc1 915945496 QTQMPJCHZRFMHZ-UHFFFAOYSA-N 452.539 5.290 30 20 JKED COCCOc1ccc(C(=O)/C=C\c2csc(-c3cccc(Br)c3)n2)cc1OC 915993656 VSVGPSSFMITEFA-FPLPWBNLSA-N 474.376 5.503 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 916217684 UZAJLNVTVHDAFN-HSZRJFAPSA-N 461.587 5.227 30 20 JKED N#C[C@H](C(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)Nc1ccc(SC(F)F)cc1 916887511 PBEGWFQIGZXZEN-LJQANCHMSA-N 470.497 5.353 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)c2c(C)c(C)sc2n1 916918699 RGSASCQGEKBCEN-SFHVURJKSA-N 460.584 5.209 30 20 JKED N#C[C@@H](C(=O)c1ccc(C2SCCS2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995452 FOSZZBBCUBCGRU-INIZCTEOSA-N 477.463 7.086 30 20 JKED C[C@H]1Oc2ccccc2N(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O 916996418 MDTVTZOVVXVGOR-CJNGLKHVSA-N 486.380 5.497 30 20 JKED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997565 WQNHLPWRTTVCIF-INIZCTEOSA-N 487.364 5.727 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 917506718 FSYAACDHEFJAHQ-GOSISDBHSA-N 492.963 5.039 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCN(CC3CC3)CC2)cc1C 917661107 ZNYCROORSHZNOR-RUZDIDTESA-N 490.673 5.138 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917664327 NBPDHGRGANSBBF-LJQANCHMSA-N 457.527 5.187 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(OC)c3)N(Cc3ccsc3)C2=O)cc1 917666693 JMIVJLKJBHVSRR-JOCHJYFZSA-N 495.626 5.316 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(N(C)C)cc3)C(=O)N2[C@H](C)c2cccnc2)c1 917668685 FQASBQDQPVVDLN-DVECYGJZSA-N 487.629 5.178 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917676707 WRDPQPFOUGYAMR-VIZSFHNOSA-N 497.064 5.236 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)s2)cc1 917684528 MBPUZJLSGYYDPN-NRFANRHFSA-N 483.590 5.365 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccccc2OCc2ccccc2)cc1 918272413 ANHQZLXPLKCBPY-HHHXNRCGSA-N 475.548 5.176 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 919713914 KSRDEJOZZZEYTL-LEWJYISDSA-N 464.352 5.640 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 920199788 AFBPEFFHFUOOTR-AREMUKBSSA-N 481.502 5.465 30 20 JKED CCOc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)cc1 920359020 GAOTWNWGEFHJRT-DEOSSOPVSA-N 484.581 5.117 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3c(C)noc3C)C2=O)cc1 920359611 PFTCZJVVANTNBT-DEOSSOPVSA-N 488.613 5.249 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 920767725 CKZUMAGHWYAKKJ-UHFFFAOYSA-N 470.495 5.006 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920803753 BHKXFFUCXCYAHK-SFHVURJKSA-N 487.535 5.710 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1 921255114 WZIHBTNMKFRCJG-HXUWFJFHSA-N 477.989 5.256 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)C2 1779274210 NTYWSBBSNBTRHI-XVOBZGQLSA-N 487.084 5.362 30 20 JKED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCCCc2ccccc2)C1 1783208054 JGXPKVIBNALIST-GGXMVOPNSA-N 481.681 5.168 30 20 JKED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCCCCCCCCCc2ccccc2)C1 1783208227 MHAALCGNWXDDKQ-POURPWNDSA-N 495.708 5.558 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccnc4OCC4CC4)CCC3)cc2)c1 1786041508 ZARYMMDFGLHZPH-UHFFFAOYSA-N 494.595 5.123 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccnc4OCC4CC4)cc3)CCC2)c1 1787140497 FRTASUUAVNOIMK-UHFFFAOYSA-N 494.595 5.123 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)Cc4ccccc4C(F)(F)F)cc3)CCC2)CCC1 1787751857 AXJZJFWJXTWFDX-UHFFFAOYSA-N 455.480 5.076 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5c4)cc3)CCC2)c(Cl)c1 1789015225 IKUZWASAHUPIDS-UHFFFAOYSA-N 480.955 5.821 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)cc3)cc2)CCC1 1790151549 MUYAISPGIGLILW-UHFFFAOYSA-N 456.521 5.185 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CCC1 1790287826 ZTDGGWOBFQWBPM-UHFFFAOYSA-N 467.447 5.540 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3=CCCS3)CCC2)cc1 1790520044 URXBEXXBIKGZBC-HXUWFJFHSA-N 485.650 5.001 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)no4)CCC3)cc2)ccc1F 1790521367 ZTFNHJHGQFCZLE-UHFFFAOYSA-N 494.526 5.343 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc4occ(Cl)c4c3)CCC2)cc1 1790566004 KUABSANCMHOVEN-INIZCTEOSA-N 467.953 5.635 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCC4CC4)c(F)c3)CCC2)cc1 1790569097 AEAWSGHGVOZSFG-GOSISDBHSA-N 481.568 5.163 30 20 JKED COc1cc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)cc(C(F)(F)F)c1 1790817440 YYEVAVYXBDLSEE-UHFFFAOYSA-N 459.468 5.011 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc3)CCC2)C1 1791515254 AGPQSYFJFJNELM-QFIPXVFZSA-N 469.626 5.026 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)c(F)c1 1792126785 LKLKLPPSUILNPS-SFHVURJKSA-N 471.532 5.523 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccc(-c4ccccc4)cc13)C2 1798592557 NIEBBOSUYKPDOC-NUNAXRQHSA-N 470.617 5.474 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1800219412 CPCZXCFLAFKOSY-WWQXZPIASA-N 474.045 5.053 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1CSc1ccccc1 1800664782 ATXOJHYGGXHBRE-SNJCGAMXSA-N 479.646 5.032 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4scc(-c5ccccc5)c4[nH]2)C3)c1 1800765478 YDWWRSNDPLCMER-NUNAXRQHSA-N 494.620 5.642 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)cc1F)c1ccccc1 1800771392 CAUWMJDBDBTYKH-STAYPELNSA-N 476.592 5.062 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@@H]1c1cccnc1 1802499845 JUALEYQTKWYSPC-AJTFRIOCSA-N 495.623 6.293 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1802501323 LHMKRZQSNQKNQN-XUZZJYLKSA-N 480.052 5.465 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2C)[C@@H]1c1cccnc1 1802742971 SPIGFNQFFXZOFL-URXFXBBRSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)[C@@H]1c1cccnc1 1803084536 RMDBLLPZYKTXRU-ZJSXRUAMSA-N 465.663 5.529 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1808158452 IJIBHJAFHUQMPH-WVCKHHOPSA-N 464.997 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Br)cs2)[C@@H]1c1cccnc1 1808472994 UHSLOKVZYKFSCV-XLIONFOSSA-N 490.467 5.218 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(OC)ccc3o2)[C@@H]1c1cccnc1 1810499499 YYHMYMSSGJFJFL-CJFMBICVSA-N 475.589 5.148 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2Cl)[C@H]1c1cccnc1 1810502439 JDKCQALVFYVPBQ-AVRDEDQJSA-N 457.977 5.186 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1 1811894693 ZRHFWPAEFMAQHV-AHWVRZQESA-N 460.622 5.269 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813954159 XLABRUQOYXCVRF-URLMMPGGSA-N 479.624 5.837 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](S)C(C)C)n[nH]2)cc1 1815244261 ZCBXKLFLFXVMCL-ZJSXRUAMSA-N 477.634 5.040 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)cc1 1815245746 AMTVQNVGXHKDRO-VWNXMTODSA-N 479.650 5.078 30 20 JKED O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCCC[C@H]1c1cc(NC(=O)C(F)(F)C(F)F)n[nH]1 1815541020 PFETYPAEOISQIC-KIUWMYQTSA-N 492.395 5.034 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)n[nH]1 1817946020 WYYGZYCVFVHXGQ-GOSISDBHSA-N 472.014 5.078 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)n[nH]2)c1 1818164515 NEXJQXVYCHDNOY-HXUWFJFHSA-N 488.935 5.143 30 20 JKED Cn1ccc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)c21 1818724805 RYDOWBSKDRZMSA-QHCPKHFHSA-N 489.696 5.258 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]2)cc1 1818868495 XFMGKOLYIUJPJL-WMTXJRDZSA-N 487.991 5.239 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)sc2C1 1818932037 VNSMEOBNMHEZMP-CYBMUJFWSA-N 498.477 5.080 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)nc3ccccc23)[nH]n1 1819306196 ZLGBFCZFXHQVOG-VGSWGCGISA-N 477.996 5.686 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc(F)c(F)c(F)c2)[nH]n1 1819309521 CSYZXNJSVVMYJJ-VKQWELSQSA-N 472.511 5.301 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)Cc2ccco2)[nH]n1)c1ccccc1 1819521476 UOVGDBVDNYVJMJ-JHMXWDHMSA-N 472.589 5.071 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(OC)cc2F)[nH]n1 1819554800 PRWFRZKBRGPPRA-JOCHJYFZSA-N 470.589 5.175 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)nc2Cl)n[nH]1 1819679089 GBQDGTZROJHLBJ-WMLDXEAASA-N 462.381 5.186 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n[nH]1 1820823292 HZTRREHVLJWQTL-DYESRHJHSA-N 465.985 5.233 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1 1821047910 SYFVIYDAXXTDFL-JOCHJYFZSA-N 457.534 5.058 30 20 JKED Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)o1 1821156068 YIZBEOUUSPIFHU-HHHXNRCGSA-N 492.579 5.260 30 20 JKED C[C@]1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CC=CCC1 1821310503 ADCZVSWPWRCFAW-YKSBVNFPSA-N 485.510 5.352 30 20 JKED CO[C@](C)(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)c1cccc2ccccc12 1823715072 VYHBTHZKVDUQJZ-UHSQPCAPSA-N 487.644 5.015 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1823752096 LJWDAKREYNDFHD-VWLOTQADSA-N 465.638 5.402 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)CC1 1823886433 DRPVYIRDKLYBIH-IZZNHLLZSA-N 493.598 5.668 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3C3CC3)CC2)c1 1824054564 LIEIGTZCKRCTOJ-MUUNZHRXSA-N 469.629 5.302 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 1824143972 YEAYQNWZOGJKIR-SANMLTNESA-N 460.622 5.078 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1824144084 ZBFUVWPULXIIDM-AREMUKBSSA-N 481.656 5.428 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1824961016 CYWOOJVOMYHAFZ-HXUWFJFHSA-N 489.003 5.511 30 20 JKED Cc1occc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1825909455 KITNCBKEUVKODW-JOCHJYFZSA-N 473.495 5.026 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](C)ON=C(C)C)CC1)c1ccccc1 1826421601 BSYZDISBIIGMHT-JPMIEVGJSA-N 469.670 5.237 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)CC1 1828779883 XAAXIDRXXNIKCF-FUHWJXTLSA-N 456.624 5.060 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1828821971 AUNRYYYCTCXFPG-RBBKRZOGSA-N 475.077 5.293 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829454654 UERCBOFRLJSKAC-PBHICJAKSA-N 474.454 5.089 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829686166 XCAGLORGUFLOBI-QHCPKHFHSA-N 454.014 5.213 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829707391 IVVKIWUAZLCEJE-IDISGSTGSA-N 478.608 5.317 30 20 JKED CCOc1ccccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829923961 CBGYZLHLXHTQLC-DEOSSOPVSA-N 480.008 5.157 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1F 1829967490 ACZQMIDQRNRMRT-AREMUKBSSA-N 491.607 5.340 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1830015219 VYOWBLZANNRQAM-RUZDIDTESA-N 476.020 5.177 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)CC1 1830442688 YNDBTFQYWHKIQQ-RPLLCQBOSA-N 482.640 5.616 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1830446174 IEWYAXTXDITCKU-AJTFRIOCSA-N 487.644 5.384 30 20 JKED N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1830448889 DRXFSXHGTXATPZ-BDYUSTAISA-N 479.571 5.422 30 20 JKED Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1830558043 WAIWFRDCKIKBNO-FQRUVTKNSA-N 461.581 5.308 30 20 JKED O=C(CC[C@H]1CCOC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830605028 VXNHXROFKKQUDR-BHBYDHKZSA-N 498.667 5.136 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4c3OC(C)(C)C4)CC2)c1 1830767959 GHSLPNPIDFDCKO-AREMUKBSSA-N 485.628 5.127 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1830770820 HUBAHYWYMKYIJV-LJAQVGFWSA-N 492.623 5.476 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cccc(OC)c2)CC1 1831590558 WUAMZTCIQIFAEO-ZZXVIJKLSA-N 450.623 5.097 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)CCC1 1831749624 AHQXHPOQIFMSQQ-JOCHJYFZSA-N 488.459 5.339 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1831841477 ADMABDNSELMEQA-HRFSGMKKSA-N 487.669 5.453 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3oc4ccccc4c3C)CC2)CC1 1838217539 HLMALJLEUXPMQH-HSZRJFAPSA-N 464.606 5.122 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CC1 1838374834 JJDDEKQFRNTJMA-SANMLTNESA-N 499.095 5.529 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc3c(c2)CCC3)[n+]2ccc(Cc3ccccc3)cc2)c1 10172656 AWRJMZDZOXJMRZ-UHFFFAOYSA-O 491.680 6.721 30 20 JKED C=CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1ccc(OC)cc1 10405622 DRQKHLBQFJDRSZ-KRWDZBQOSA-N 466.632 5.149 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2Cl)nnc1-c1ccc(Br)cc1 10609221 FWOSAPCTHHKKIS-CQSZACIVSA-N 491.842 5.517 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccc(Cl)cc1 10831725 UCGPOTAHSYRGDQ-UHFFFAOYSA-O 474.831 6.003 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(Cl)cc1Cl 14133508 DXILYASQATVOMG-UHFFFAOYSA-N 463.390 5.486 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 14872519 SVTSCTRAIKWIEK-UHFFFAOYSA-O 491.530 6.360 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1ccc2c(c1)CCCC2)c1ccccc1 15247670 MXAGGDWUJNVRKW-UHFFFAOYSA-O 466.424 5.666 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccc(C(C)(C)C)cc2)cc1 15247742 FNVFBMFBMILJSM-UHFFFAOYSA-O 498.466 6.094 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)O[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 16829235 CVNIWOGPUBEXEX-CQSZACIVSA-N 453.951 5.065 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nnc2-c2cccc(C)c2)cc1 22160389 HXGVPVWMBDIMRJ-UHFFFAOYSA-N 485.638 5.898 30 20 JKED C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2sc(-c3ccccc3)cc2c1=O 23631997 UFEJFJVTZJJDDN-OAHLLOKOSA-N 472.595 5.401 30 20 JKED C=CCn1c(S[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)nnc1-c1ccc(Cl)cc1 24984629 BFJFRLOVRHRCMF-CQSZACIVSA-N 464.986 5.149 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 32785663 KJCJHLOCVIRPTH-WOJBJXKFSA-N 460.647 5.292 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)cc1 45520974 BFVKQVZLVDYNEZ-HSZRJFAPSA-N 464.953 5.448 30 20 JKED Cc1nc(C)c(C#N)c(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1 105633575 YJQHGJBVQUAEDF-VBKZILBWSA-N 465.966 5.070 30 20 JKED Cc1cccc(-c2cc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)n(Cc3ccccc3)n2)c1 195540994 MLRLILLCEBQJLY-UHFFFAOYSA-N 489.583 5.009 30 20 JKED Cc1ccc(/C=C\c2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)n[nH]2)o1 210025006 UWTPIMLBVBLXGG-QXMHVHEDSA-N 464.595 5.403 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1ccc(OC)cc1 255934049 PMFHYMLYXOHBOH-GOSISDBHSA-N 450.608 5.691 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(Br)cc1Br 303276912 JAOOQZUQVKVBKP-LBPRGKRZSA-N 484.213 5.623 30 20 JKED C=CCN(C(=O)c1ccc(-c2ccc(OC)cc2F)cc1F)c1nc(C(=O)OCC)cs1 409871639 SAMKHQMZIWRCAR-UHFFFAOYSA-N 458.486 5.106 30 20 JKED COc1ccc(I)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 497318074 FTGSIRRAVROWCR-UHFFFAOYSA-N 486.334 5.575 30 20 JKED C=CCn1c(S[C@H](C)c2ccc(F)c(F)c2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 498733013 GZDKZELRWWLDJA-MRXNPFEDSA-N 492.617 5.293 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCNc2ccc3ccccc3n2)cc1 502522351 ZQOSKPHZMMUFDM-UHFFFAOYSA-N 451.530 5.113 30 20 JKED N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)c1nc2ccccc2[nH]1 502705587 JANZIBGVMUGXHT-JOCHJYFZSA-N 468.520 5.513 30 20 JKED C=CCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502962515 UNTKPSVCJWWOMV-UHFFFAOYSA-N 472.397 6.077 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1Cl 506434677 XCKQWODABYCCTC-ZCYQVOJMSA-N 487.987 5.142 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 508141095 FKUBPOWWOJCLTP-FCHUYYIVSA-N 457.599 5.799 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1 510717670 MUNHARMAGIEGTL-UHFFFAOYSA-N 497.599 5.775 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 512857111 QBXQXUBNYCTQCU-UFHPHHKVSA-N 499.567 5.097 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1nc2ccccc2s1 513691923 HXQMOYAFQVTKJQ-SFHVURJKSA-N 476.355 5.801 30 20 JKED C=CCn1c(S[C@@H](C(=O)N2CCSc3ccccc32)C(C)C)nnc1-c1ccoc1C 514774002 ORMUUNGNVUWLDH-HXUWFJFHSA-N 454.621 5.288 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Br)cc3)cc2)c1 518729863 CZHSVHUDWYNSJF-HSZRJFAPSA-N 490.357 5.356 30 20 JKED Cc1nn(-c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c(C)c1Br 518739049 LHZULLYKPXYNRV-CQSZACIVSA-N 469.408 5.898 30 20 JKED CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 518873886 WWTMXCYZLALFLQ-INIZCTEOSA-N 497.473 5.584 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)CC1 519139800 AVCQZVHVJVJFDW-UHFFFAOYSA-N 484.625 5.103 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1nnn(-c2cccc3cnccc23)c1C 520874914 ROAKISPCSKNLKN-UHFFFAOYSA-N 476.515 5.290 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(-c4nnc5n4CCCCC5)ccc3F)o2)cc1 524139528 LPGFHNXFMRGCNX-UHFFFAOYSA-N 471.492 5.107 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1OCc1cscn1 524387441 FDOIRGVJUHMJOX-UHFFFAOYSA-N 455.539 5.734 30 20 JKED C[C@H](Nc1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1Cl)c1ccccc1 524421962 SMKPBMTYQQLHEO-INIZCTEOSA-N 456.937 5.405 30 20 JKED CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524424207 NYXSVJBGTAIQHQ-SFHVURJKSA-N 491.975 5.394 30 20 JKED CCC[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 588726227 HFAXVIISBRHTKS-QLFBSQMISA-N 464.372 6.319 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)CC1 603591044 DQGUCCZTYYRPMU-UHFFFAOYSA-N 489.645 5.265 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)cn2)c1 603621949 FILHQXIBGJRLHD-UHFFFAOYSA-N 472.508 5.305 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)nc4)CC3)c2c1C 603763485 BLIBUSMGNVGYAP-UHFFFAOYSA-N 484.585 5.222 30 20 JKED Cn1c(Sc2ccc([N+](=O)[O-])cc2C#N)nc2scc(-c3ccccc3Cl)c2c1=O 603821461 BUDTUKRFQYSUSJ-UHFFFAOYSA-N 454.920 5.246 30 20 JKED N#C[C@H](Cc1ccccc1)Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 604029756 DZVZSEWUHASOTG-IBGZPJMESA-N 470.989 5.546 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCSc2ccc(Cl)cc2)cc1Cl 604134081 QVODDMQFOCLKCZ-NRFANRHFSA-N 484.408 5.496 30 20 JKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[nH]c2c1 609079856 MEWUOPHCNNMDRZ-DEOSSOPVSA-N 485.975 6.344 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccccc3NS(=O)(=O)c3ccccc3)c2)cc1 609209721 JHEWLEYSHVHDLV-UHFFFAOYSA-N 498.564 5.473 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609376777 JRWNYADDJKSRDI-HNNXBMFYSA-N 472.545 6.410 30 20 JKED COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C(F)(F)F)ccc1SCCC#N 609387357 YLFCWSWQEKMMCK-HUUCEWRRSA-N 451.514 5.398 30 20 JKED Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609406220 ARTRQGFJVDZJEB-UHFFFAOYSA-N 463.525 5.052 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 609421547 LMBHEYWQHJCZBP-QGZVFWFLSA-N 464.566 5.162 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3cn4ccccc4n3)n2)cc1 613318188 OXJWSRCEGUQNKQ-JOCHJYFZSA-N 480.618 6.549 30 20 JKED O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 623851197 AZZJDKSPSUOPDF-KBPBESRZSA-N 479.396 5.722 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c1 635830251 VVRXKXXYRDGPNO-QGZVFWFLSA-N 485.009 5.141 30 20 JKED CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642441370 YVQJYCNIWCYNMP-QWRGUYRKSA-N 465.360 5.802 30 20 JKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(OCC(=O)Nc2ccccc2)cc1 725831715 UXAYXCFNPAVIKD-UHFFFAOYSA-N 479.462 5.502 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cccc(COC(C)(C)C)c2)C1=O 726106675 RXRHMCBABQPBRA-HXUWFJFHSA-N 492.016 5.062 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc(F)c(Cl)c2)cn1 726113938 UDTHWBCLDZYTBK-OAQYLSRUSA-N 499.999 5.164 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)c(F)c1 726412905 UPULUXMJZMTYQN-LJQANCHMSA-N 497.514 5.614 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)S/C1=N/[C@@H](C)c1cccs1 726421345 MNPCXSRVMJZOMS-AJHBCDHZSA-N 457.621 5.113 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(Oc3ccccc3)cc2)[n+]2cccc(CO)c2)c1 726573214 RFGHEWIHECLAAE-UHFFFAOYSA-O 479.581 5.563 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2csc(-c3ccccc3Cl)n2)nc1C 727485828 UFVHLDHXOMWXIF-UHFFFAOYSA-N 475.024 5.214 30 20 JKED C#CC[C@H](OC(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12)c1ccccn1 727775808 PSEVYZCRQZKNFI-VWLOTQADSA-N 454.526 5.488 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CCCCC#N 728776216 AGRIQZFSYWQZFU-IBGZPJMESA-N 489.428 5.956 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cc1 729038937 IQTVNGSOXQPAJN-UHFFFAOYSA-N 494.592 5.470 30 20 JKED CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 729563386 PVMYXPHKNZQRTB-UHFFFAOYSA-N 470.957 5.525 30 20 JKED COc1cc(C=Nn2c(S)nnc2COc2cc(C)cc(C)c2)ccc1OCc1cccs1 730565580 QDDSLYFUPKDWRC-UHFFFAOYSA-N 480.615 5.294 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2cc(F)ccc2s1 730696610 YZWOOQKECKHZPE-OPAMFIHVSA-N 454.885 6.224 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CCCc2c[nH]c3ccccc23)C1=O 730716038 OGTRTKJIPNWYPN-FQEVSTJZSA-N 489.428 5.175 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cocn1 730719279 YQXVEQUIRIMTIZ-XMMPIXPASA-N 484.581 5.551 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cocn3)C2=O)cc1 730726859 LFZFSCCBCIWSIX-QHCPKHFHSA-N 492.601 5.357 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(Cc2ccccc2)ccc1O 731077783 OYTVMSCZKCCSAA-GOSISDBHSA-N 460.555 5.030 30 20 JKED COc1cc(-n2cccc2)c(Cl)cc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731079180 YHDFVPDSRYHWRV-MRXNPFEDSA-N 483.977 5.329 30 20 JKED N#CCCN(C(=O)CCC(=O)OCc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 731256278 SNOSEALOUUXOCU-UHFFFAOYSA-N 453.951 5.234 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1F 731306578 AYBVNHIJNZAPHZ-FQEVSTJZSA-N 469.563 5.062 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccc(C)c(C)c2)cc1 731310245 DBENQERGKPITEI-DEOSSOPVSA-N 489.597 5.178 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 731332458 LWYHTBXRHOOVTO-MRXNPFEDSA-N 497.554 5.009 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=S)NC1CCN(Cc2ccccc2)CC1 745724501 SBWPEUBISRRHJH-UHFFFAOYSA-N 472.633 5.552 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 745918997 VVTGBGUWNYGACY-WUKNDPDISA-N 459.571 5.022 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(S(C)(=O)=O)c(OC)c2)ccc1OCc1ccc(Cl)cc1 747062584 XRZBZXBNTZZNDL-IZZDOVSWSA-N 486.973 5.236 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 753935427 KLXJUXRYFINIAN-UHFFFAOYSA-N 493.972 5.592 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(CC(F)(F)F)C1=O 799211791 PTKVRXHEFHEPNA-GOSISDBHSA-N 499.942 5.488 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1CC(F)(F)F 799212651 WJTQRUQCGUSAAI-QGZVFWFLSA-N 469.916 5.479 30 20 JKED COc1ccc(-c2nc(SCc3csc(COc4ccc(F)cc4)n3)nc(O)c2C#N)cc1 824963982 GTDRMMCOOPUMBE-UHFFFAOYSA-N 480.546 5.196 30 20 JKED COc1ccc(-c2nc(SCc3coc(-c4ccc(Cl)cc4)n3)nc(O)c2C#N)cc1 824964291 QYBFPAGENRCESS-UHFFFAOYSA-N 450.907 5.330 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2c(C)cccc2C)cn1 837286773 ZXPZPALXLFMVBQ-OAQYLSRUSA-N 492.576 5.007 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@H](C)c3cccnc3)C2=O)cc1 837301633 MPVIGOKXQPGSBX-XXBNENTESA-N 458.587 5.420 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1Cc1ccc(C(=O)O)cc1 840073957 ANVUWYWLADXUDW-AREMUKBSSA-N 494.551 5.053 30 20 JKED C=CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 896523640 PRRXADIOVIAZAB-UHFFFAOYSA-N 465.491 5.034 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C(C)C)C2CC2)ccc1Cl 913204063 XQSGLPGVBVDTBO-UHFFFAOYSA-N 467.418 5.388 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 914544238 SGMGSMOXRLUUHU-YKSBVNFPSA-N 472.614 5.098 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)cc1F 915116665 MIONGNLGIAUXSC-QFIPXVFZSA-N 499.514 5.273 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 915860231 NYLPSJYJGCOELP-UHFFFAOYSA-N 471.517 5.451 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3ccco3)C2=O)cc1Cl 916205544 KAJJUUMKBOTJJV-HXUWFJFHSA-N 487.940 5.241 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccccn3)C2=O)cc1Cl 916207601 ZJJSNBPFBPTTJR-QFIPXVFZSA-N 495.004 5.213 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(C[C@H]2CCCO2)C1=O 916212914 UHYBNVMSHSTFRQ-YLJYHZDGSA-N 492.428 5.441 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CC2)C1=O)Nc1ccccc1C(F)(F)F 916213197 BJUDOFRHRMTYCN-QGZVFWFLSA-N 467.900 5.482 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(COc2ccccc2)cc1 916883572 MXBWQNOYSPXWDP-OAQYLSRUSA-N 452.482 5.541 30 20 JKED CC(C)Cn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc21 916906645 SCXVPQRQMUAJSY-JOCHJYFZSA-N 451.526 6.051 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 916913330 OAVHDUQMTUXNPJ-IBGZPJMESA-N 457.477 5.281 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)cc1 916949959 QVVDXFRZFPZFEK-DYESRHJHSA-N 469.570 5.470 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1c2ccccc2c(Cl)c2ccccc12 917029800 ARNDNBBDVYMMAV-UHFFFAOYSA-N 476.945 5.865 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 917119816 XNIKQKBJBWCTFI-JOCHJYFZSA-N 485.996 6.870 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC[S@@](=O)c1cc(Cl)ccc1Cl 917227672 CBLPTUXBFNINEM-MUUNZHRXSA-N 452.432 5.262 30 20 JKED COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2)c1 917327075 CWOBIMSKXVQTRT-SANMLTNESA-N 482.492 5.276 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1Cl 917674955 BRWQRBNRABBFFS-XJUOHMSHSA-N 497.064 5.236 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(Cl)cc1 917701833 ALCJTYJZZJNRAB-QFIPXVFZSA-N 492.963 5.511 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)n2)cc1 920139647 WPQIKHXTURFSAB-DENIHFKCSA-N 474.586 5.248 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)cs1 920481314 ZJNPBXBYGGJVFI-WDZFZDKYSA-N 480.895 6.318 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2Cc2ccc(Br)cc2)c1=S 920758988 ZWHYIWDSUZHSON-FQEVSTJZSA-N 470.440 5.089 30 20 JKED CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920807054 WVWMDGMZGVNKJV-VQIMIIECSA-N 486.519 5.072 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OCC 920867926 BSALGVHEVUJORB-SFHVURJKSA-N 475.427 5.100 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)OCC(=O)Nc1ccccc1SCC#N 921104859 CQOCQMBGOHFJQO-UHFFFAOYSA-N 463.993 5.245 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 928675444 ZCRMXRMNTHRKCN-KRWDZBQOSA-N 479.558 5.230 30 20 JKED N#C[C@H](C(=O)c1nc(-c2ccccc2)oc1C1CC1)c1nc(O)c2c3c(sc2n1)CCCC3 1122402431 QRLVIMWKZPBVSA-MRXNPFEDSA-N 456.527 5.298 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)c1 1786621054 IQHBNFKWXSAQLE-KRWDZBQOSA-N 457.496 5.794 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C(F)(F)F)cn4)cc3)CCC2)cc1 1786875920 KJKUNRCSODUPEF-UHFFFAOYSA-N 492.501 5.353 30 20 JKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1)n1cccc1C=O 1788159367 HENCRQFMQDNMKP-NRFANRHFSA-N 477.681 5.047 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4)cc3)CCC2)c1 1788463479 PEZGDDNXNOSJIL-GOSISDBHSA-N 463.541 5.203 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4c3OC(C)(C)CC4)cc2)CCC1 1788496314 ZBWGCTWBZBLNJJ-UHFFFAOYSA-N 476.617 5.521 30 20 JKED CCc1ncsc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508064 INMLRNGVIAWGME-UHFFFAOYSA-N 467.711 5.504 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)Cc3cc(Br)ccc3O)cc2)CCC1 1790479835 LYIGJFOHJWBUSC-UHFFFAOYSA-N 493.348 5.043 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3ccc4sc(C)nc4c3)CCC2)cc1 1791298867 YKSQWNOADLACBL-UHFFFAOYSA-N 455.530 5.564 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)CCc3cnccc3C(F)(F)F)CCC2)cc1 1791299054 NHSYJLNHTJSWES-UHFFFAOYSA-N 481.465 5.379 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccc(C)o3)cc2)CCC1)NC(=O)OC(C)(C)C 1791949637 BZPJAIOIIMTLSF-JOCHJYFZSA-N 495.620 5.124 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cncc5cnccc45)CCC3)cc2)c1 1792124750 GOXHOOLVMITXHA-IBGZPJMESA-N 475.552 5.318 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4Cc5ccccc5N4)CCC3)cc2)cc1C#N 1792169120 VCLLDEZRWHOYOK-SANMLTNESA-N 494.595 5.130 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4F)cc3)CCC2)CCC1 1792170828 RGWCDPLLOYZHTA-UHFFFAOYSA-N 459.443 5.286 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCC=C(C)C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206711 OZXGZAFICJYYNH-HSZRJFAPSA-N 483.653 5.726 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1cccc3ccccc13)C2)c1ccccc1 1798552984 FIZYELUCZINQGD-IYOUEGCASA-N 480.608 5.054 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1c[nH]c2ccc(OC)cc12)c1ccccc1 1800216892 HPKCYBXYYLFTKQ-IXVYNXAGSA-N 495.623 5.025 30 20 JKED Cc1nc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cc(C#N)cc(C(F)(F)F)c3)ccc2s1 1800739380 RYLTUTOKENLGRU-ACDBMABISA-N 498.530 5.061 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccccc4)c(F)c2)C3)c1 1800765406 PVAHOZZMOUQQSX-QEIWAGNOSA-N 467.544 5.238 30 20 JKED C[C@@H](c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2cccc(C#N)c2)C3)cc1)C(F)(F)F 1801455867 ZRHUXWCFCGZNHA-TZAMREQXSA-N 497.561 5.038 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncc(Cl)cc2Cl)[C@@H]1c1cccnc1 1802365925 SLJFTHZORTVDNT-UTKZUKDTSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1802489880 AXWKDBZXDWUYRX-NTKDMRAZSA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3scnc3c2)[C@@H]1c1cccnc1 1802499882 UGCZAVGLJKRLOG-NZQKXSOJSA-N 462.619 5.003 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C(F)(F)F)coc2C)[C@H]1c1cccnc1 1802503704 RVHFVLQKYPITJR-RXVVDRJESA-N 477.527 5.314 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cncc3s2)[C@H]1c1cccnc1 1803082755 YIKGMPDGZRKYKR-CYFREDJKSA-N 495.048 5.433 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)cccc2Cl)[C@H]1c1cccnc1 1803091085 MMJBDSOIERDPKO-QPPBQGQZSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1803092628 XWLUVNFKMJCCKK-LEAFIULHSA-N 486.660 5.160 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)c1ccc(F)c(C(F)(F)F)c1 1804139354 VDANYKQDTVCMTH-MDWSFGPVSA-N 494.451 5.465 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C\c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 1804375554 NQCDWFRBYWHLJI-SKOLMDMMSA-N 470.617 5.275 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3ncc(Cl)cc3Cl)C2)CC1 1804743678 OKFAVWDTSIPHPE-UHFFFAOYSA-N 452.426 5.226 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1 1804863677 LLXIERNMJQZVIN-REWPJTCUSA-N 450.627 5.019 30 20 JKED CC[C@H](C)[C@H](C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1806448733 OTKFRYNYEUUSPM-BBRLXUIWSA-N 494.639 5.032 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H]1c1cccnc1 1808951509 GEYFEABADMBMOY-HLADLETHSA-N 488.591 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)[C@H]1c1cccnc1 1810171027 CFRBEERAENYTOB-IMSXRSKXSA-N 465.663 5.529 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@@H]1c1cccnc1 1810175772 VQIJCLLVDBIPHA-WWPJHQMMSA-N 497.614 5.976 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2(C(C)C)CCC2)[C@H]1c1cccnc1)c1ccccc1 1810447859 PWDPQOCIGQWSBL-QKDODKLFSA-N 471.645 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1810503081 NXSBWRQKNUTJEG-VGSWGCGISA-N 492.422 5.840 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(F)cccc2Cl)[C@@H]1c1cccnc1 1811708265 KYRDDDMNEROURS-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813967407 IWCJMMFZINPFBA-TXTKFYIRSA-N 489.513 5.328 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(F)cc2C)[C@@H]1c1cccnc1)c1ccccc1 1813987085 WIHBUHFVMYGTLU-WIRXVTQYSA-N 483.587 5.046 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)c(Cl)c3)[nH]n2)C1 1814397704 SUWANBMWQBPZRG-KRWDZBQOSA-N 451.329 5.128 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)c1 1815244085 XCBNQGAJBOQJHR-URXFXBBRSA-N 477.634 5.040 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc(F)cc3Cl)n[nH]2)c1 1815579250 XZEXMLONNHCJNK-MWTRTKDXSA-N 493.970 5.378 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)n[nH]2)cc1 1816202973 MSFFEXAVGRWNCR-RUZDIDTESA-N 496.546 5.230 30 20 JKED CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1)c1ccccc1 1816736852 ONXZAWWCIYYHQG-NOZRDPDXSA-N 469.589 5.100 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cc(F)cc(F)c2)n[nH]1 1817765250 KUGKETVYIIOMCE-OFNKIYASSA-N 499.587 5.010 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)oc2ccccc12 1818569915 QJRQGUKUKXMYHL-OAQYLSRUSA-N 471.492 5.095 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985670 ZIWTVZDNTWBYKP-XMSQKQJNSA-N 499.537 5.984 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/Sc2ccc(C)cc2)n[nH]1)C(F)(F)F 1819359088 IQDPJOQCZQZMGT-KSEUIEODSA-N 464.513 5.135 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)[nH]n1 1819552860 GWPPRSXGFWGNIX-HSZRJFAPSA-N 461.610 5.427 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820224067 ZBPGBTCKNLKNKT-SFHVURJKSA-N 498.370 5.216 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1820973917 QYEBLFAQWLNEJB-VGOFRKELSA-N 487.560 5.416 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Cl)c(F)c3)n[nH]2)c(Cl)c1 1821044001 QWWXXISJKGBQNM-FQEVSTJZSA-N 486.334 5.347 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)c(F)c(OCC)c2F)n[nH]1 1821295331 OOLWJFLCDJWRSJ-LJQANCHMSA-N 490.526 5.300 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)[nH]n2)c1 1821321737 GYSFGAXFBZFPMZ-OAQYLSRUSA-N 465.916 5.002 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)[C@@H](S)C(C)C)[nH]n3)sc2c1 1821524316 BGFUHKFZMIRCEJ-UTKZUKDTSA-N 456.637 5.193 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)n[nH]2)c1Cl 1822020065 MRINYBBRRQZWJT-AWQBJMPUSA-N 465.985 5.067 30 20 JKED CC(C)[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)[nH]n2)CC1 1822103742 AKSWBVJOIYKMOC-DNVFCKCGSA-N 465.573 5.189 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Cl)cc(Cl)n3)[nH]n2)c1 1823216721 AALXRBDMCRZADF-JLTOFOAXSA-N 497.386 5.358 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1823254002 ZYJPSSXAMIPAEX-IIBYNOLFSA-N 491.979 5.318 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1824053394 WEWRZOMBDLBQCO-JYFHCDHNSA-N 489.582 5.028 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1824543730 DVNGXRCWBZKPRD-HJJLBPTMSA-N 493.511 5.036 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2c(F)ccc(F)c2F)CC1 1824797463 WDFCQMVODNHFEU-WMZHIEFXSA-N 462.556 5.035 30 20 JKED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c3ccccc3n3ccsc13)CC2 1825124097 AOSYQFJWKCMXMD-CABCVRRESA-N 464.616 5.049 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c(C(C)(C)C)c3)CC2)c1 1825438968 KOJSEPUDZQQIKA-XMMPIXPASA-N 460.622 5.039 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1)c1ccccc1 1827278179 AIBCFQSINZDLJT-VPUSJEBWSA-N 497.639 5.567 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(Br)n2)CC1 1827921635 BOPISZXKKNHQKC-GOSISDBHSA-N 482.488 5.131 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828168514 CCMDQYOZSFKHFT-LVXARBLLSA-N 461.650 5.351 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(C)c(C)c2)CC1)c1ccccc1 1829029575 CNFJIUFDRKSNDF-NSOVKSMOSA-N 471.645 5.129 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)oc2C)CC1)c1ccccc1 1829030961 VRVCZUWTIFZRNZ-AHKZPQOWSA-N 460.618 5.327 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3scnc3C3CC3)CC2)c1Cl 1829688082 RRDYAMNAFBRKND-FQEVSTJZSA-N 483.037 5.093 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)ccc3F)CC2)c1Cl 1829689905 VITKMYGYAUVHQO-QFIPXVFZSA-N 471.935 5.037 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c1Cl 1829692907 PPOCGYNYPZPCEA-BZVKRPRLSA-N 468.041 5.271 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830417389 XCSQGUAQJKBXIR-XXBNENTESA-N 492.060 5.161 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)CC1 1830417649 GIDRHLGCXKOJTE-QDPGVEIFSA-N 489.660 5.696 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)oc2ccccc12 1830718812 MDPWBGUPZHXUNM-XMMPIXPASA-N 473.548 5.299 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1831015953 NYBCPFRKZJBPIO-HSZRJFAPSA-N 483.056 5.298 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1831376089 JWASQAMRHAEEOK-HRAATJIYSA-N 454.508 5.290 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 1831716888 KELDEPWTGSWCBP-QMTRIVCPSA-N 487.482 5.385 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1832026434 PNOJZCBKEUJXPQ-MHZLTWQESA-N 475.633 5.117 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 1832629102 IWUUVZYGZVVDQX-CJAUYULYSA-N 481.999 5.653 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2F)CC1 1832639042 HCFBEVLQHHMXOP-NRFANRHFSA-N 450.545 5.330 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cc4cccc(F)c4)cc3)CC2)c1 1832734470 WVEADQOMVKLXFY-NDEPHWFRSA-N 498.602 5.163 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4occc4n3-c3ccccc3)CC2)CCC1 1832786573 ZGIKVURQZRLFMK-QHCPKHFHSA-N 484.600 5.151 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C/N=C/c3ccco3)CC2)c2ccccc12 1832997985 YCLRQOBKHQJTMR-PUFQGMHOSA-N 499.655 5.413 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(Cl)cc1Cl 10836373 LMWAJLNKHNYPRH-UHFFFAOYSA-O 489.448 6.042 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1cccc2ccccc12 11125371 KMTZJXXREZACEJ-UHFFFAOYSA-O 456.547 5.649 30 20 JKED Cc1ccccc1N/C(S)=C(/C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(Cc2ccccc2)cc1 11165734 YKEQYCQQFODAOC-UHFFFAOYSA-O 482.585 5.832 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)nc2scc(-c3cccs3)c2c1=O 11381325 GNIYUIGQESORNN-CQSZACIVSA-N 495.651 5.694 30 20 JKED N#CCOC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 12746859 UHDPIDCIIWNNIT-UHFFFAOYSA-N 475.353 5.069 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC 14088329 AYXKKFTXXJUEIM-UHFFFAOYSA-N 479.389 5.089 30 20 JKED C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 16766701 ZJPXDCDTQSMQDW-JTQLQIEISA-N 467.428 5.961 30 20 JKED C=CCn1c(SCc2nc(N)c3ccccc3n2)nc2scc(-c3cccs3)c2c1=O 18263784 NBYAVMSKNQFPMB-UHFFFAOYSA-N 463.613 5.190 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 22729738 BSLUNVCYWNDCSH-UHFFFAOYSA-O 487.595 6.511 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccc(OC(F)F)cc1 22730324 ABBWZKHYPXXFLD-UHFFFAOYSA-O 486.520 5.405 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 22733051 ACJXVLSLUKDOOD-UHFFFAOYSA-O 481.375 5.676 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 22799985 QZMIBYZFIVEQOE-UHFFFAOYSA-O 491.986 6.999 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1-c1ccoc1C 23592449 FKXDKTOYASVXJB-CYBMUJFWSA-N 481.628 5.912 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1nc(-c2ccccc2)cs1 26023082 NZGMDZMIPMFCQY-GOSISDBHSA-N 484.631 6.450 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2cccc(C)c2)c1C 28793558 DOMJFWKHLLVCNW-UHFFFAOYSA-O 464.611 5.072 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 78665410 FEGZQRKYAMPORB-QGZVFWFLSA-N 488.613 6.561 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 108954305 WWSSBMKVABXMHB-UHFFFAOYSA-N 489.641 5.386 30 20 JKED N#Cc1ccc(CSCC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 110632752 CKHRYUSIXUTJIN-UHFFFAOYSA-N 452.583 5.020 30 20 JKED Cc1c(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nnn1-c1cccc(Cl)c1 195695500 RZWUUSAGXVBXLM-OAQYLSRUSA-N 462.340 5.790 30 20 JKED CN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1)C1(C#N)CCC1 303081433 VFTQNWWCNMEAFX-UHFFFAOYSA-N 455.949 5.318 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nn(-c4ccccc4F)c4c3CCC4)cc2)c1 303228335 WYHWCAASCFDCBE-UHFFFAOYSA-N 452.489 5.203 30 20 JKED C=CCN(C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 476176378 UZVCAJSFBRPCDH-FNZWZJOASA-N 477.457 6.357 30 20 JKED COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 476709924 GVOHKQCLMVSTLP-UHFFFAOYSA-N 488.563 5.025 30 20 JKED Cc1occc1C(=O)Nc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1F 482987197 ONOLKWQZYCGAIJ-UHFFFAOYSA-N 455.445 5.896 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 490606137 LXFYDOCXKAYGBH-UHFFFAOYSA-N 481.552 6.031 30 20 JKED C=CCc1cc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc(OC)c1OC 497807251 AVBURSQOIKPDQH-UHFFFAOYSA-N 459.546 5.315 30 20 JKED CCOc1ccc(C2(CNC(=O)c3cccc(OCc4ccccc4C#N)c3)CCOCC2)cc1 500866673 UIBSLOKWEQBSCK-UHFFFAOYSA-N 470.569 5.014 30 20 JKED N#C[C@@H](C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 507057008 YWIZVUXGHBTQRM-DEOSSOPVSA-N 499.958 5.040 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 508150454 VXMHJALIYVVADT-UHFFFAOYSA-N 479.378 5.010 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccc(F)cc3C(F)(F)F)s2)cc1 510255331 NSGWDKCQFDWQDC-UHFFFAOYSA-N 467.473 5.182 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cn1 510613917 HRUGUEVNZXIPGR-UHFFFAOYSA-N 496.523 5.877 30 20 JKED C=CCN(C(=O)Cn1ncc(=O)c2ccccc21)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 511954095 IMKOIBUPPDMBHB-UHFFFAOYSA-N 478.577 5.406 30 20 JKED COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1 513214769 PDUQTZNQRHYDKU-HXUWFJFHSA-N 462.431 5.452 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2cccc3ccccc23)cc1Cl 513983005 KJNYLXUMAVFEOJ-QHCPKHFHSA-N 468.944 5.909 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)c1nc(-c2ccccc2)cs1 514616863 XBYCMKSWKLAVHI-UHFFFAOYSA-N 493.588 6.060 30 20 JKED CSc1ccc(N2C[C@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2=O)cc1 515650577 CCNNLAFEBCDZQH-OAQYLSRUSA-N 471.582 5.045 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)C2)c1 517437170 GMOGROJKHHKQQP-JOCHJYFZSA-N 481.556 5.002 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 517447915 WYFXYWUKVKFBLZ-DLBZAZTESA-N 498.653 5.154 30 20 JKED C[C@H]1CCc2c(sc3nc(CCC(=O)N[C@H](C#N)c4cccc(Cl)c4Cl)nc(O)c23)C1 517491892 FMRGZXXBPZHVSZ-XHDPSFHLSA-N 475.401 5.142 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)c2)cc1 517902850 SSAOSLIZFBDLDJ-UHFFFAOYSA-N 495.366 5.647 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 518749352 GVTFZKNJQUGSPI-UHFFFAOYSA-N 453.523 5.948 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 519285419 YUKMRVFPNRUOLC-UHFFFAOYSA-N 471.351 5.162 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 519514558 WCUYXEHJSUEING-UHFFFAOYSA-N 477.483 5.060 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 519913841 RJGZSFRLAKSRKY-UHFFFAOYSA-N 452.558 5.893 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 519954464 QGLSERWFEBBWCN-NRFANRHFSA-N 467.356 5.203 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 520141142 DSXZHQLYZAJNJW-LFVJCYFKSA-N 479.605 6.322 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 522713321 CMBPKJNCFMROAE-UHFFFAOYSA-N 461.568 5.293 30 20 JKED Cc1c([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cnn1-c1ccc(F)cc1 523885803 NYZFPSZSSJJAHU-LJQANCHMSA-N 485.538 5.804 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc(Cl)c4c(c3)OCCCO4)c2)cc1 524254179 SLJUMXHIJUMVEJ-UHFFFAOYSA-N 477.948 5.468 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 524433053 LARLCDNYFJVAFA-GOSISDBHSA-N 495.501 5.623 30 20 JKED N#Cc1cccc(COc2cccc(/C=C3\CCn4c3nc3cc(C(F)(F)F)ccc3c4=O)c2)c1 603748401 OKKGHNXAMZJGRH-UDWIEESQSA-N 473.454 5.810 30 20 JKED Cc1nn(Cc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)c(C)c1[N+](=O)[O-] 603836594 LEHSBPIXESBYEC-HXUWFJFHSA-N 491.960 5.723 30 20 JKED COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(COc3ccccc3C#N)o1)CC2 603948724 ZGOSQPKJPLYVST-LJAQVGFWSA-N 494.547 5.535 30 20 JKED Cc1ccc(-c2nc(CC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cs2)cc1 603995369 HZUQIIQSXSBCNZ-UHFFFAOYSA-N 452.539 5.424 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cs2)cc1 603995470 FNFVFXWTLMOFCW-UHFFFAOYSA-N 482.565 5.514 30 20 JKED CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003892 PVFBDCYVNAGVCT-RUZDIDTESA-N 475.976 5.378 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 604465710 BLDPMYQECOEWMK-HXUWFJFHSA-N 469.610 6.285 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 604491354 QWPYZHFXQROZNM-UHFFFAOYSA-N 451.526 5.478 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)o2)cc1 609062528 TXWHQRGAWLTBOW-UHFFFAOYSA-N 487.943 6.026 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609078980 GDNRLUXIPSGMMS-QZTJIDSGSA-N 499.455 6.477 30 20 JKED Cc1ccc([C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2ccc(F)cc2Cl)cc1 609391310 RMGSPBYHNZUNLT-RUZDIDTESA-N 477.971 5.112 30 20 JKED CCOc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccccc2)cc1 609404726 PADNUHXEWZBSAI-DFBJGRDBSA-N 473.598 5.181 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 609428526 RQMFUCMSBBPXAS-QGZVFWFLSA-N 455.539 5.129 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1OCC(=O)Nc1ccccc1F 612789869 KHNHYBNNRPBVJV-UHFFFAOYSA-N 458.942 5.387 30 20 JKED O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618301532 RLDHRWBNYKLIQU-IYBDPMFKSA-N 486.431 6.496 30 20 JKED O=C(Cc1csc(Cc2ccc(F)cc2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620386209 NMWHJJOJXOLJSM-STQMWFEESA-N 454.411 5.005 30 20 JKED CN(C(=O)CSc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CCCCC1 640537751 USMUGUOFIPOFQZ-UHFFFAOYSA-N 483.637 5.617 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC 642196156 JTFOPJZAQSGFIB-WDNDVIMCSA-N 490.282 6.022 30 20 JKED COc1ccccc1-c1c[nH]cc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 726054165 NAXJADFYVGHXSS-UHFFFAOYSA-N 474.561 5.281 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2)cc1Cl 726409930 XFAXHGXLMPGOPL-QFIPXVFZSA-N 492.963 5.511 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2cccc(Cl)c2Cl)C1=O 726415139 IELQJKDQHNGPBR-SFHVURJKSA-N 480.417 5.048 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@H](C)c3ccccn3)C2=O)c1 726422311 VFEUOCSTYDXKMR-RIRGSEAUSA-N 494.642 5.303 30 20 JKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2sc(Oc3ccccc3)nc2Cl)cc1 727058810 WSOMJQTXGDDSDB-UHFFFAOYSA-N 484.990 5.836 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CCCCC#N 728777746 NSDAJQZJYJYIPL-FQEVSTJZSA-N 472.973 5.442 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1 728778184 QZITVNHQOVYVMF-NRFANRHFSA-N 469.010 5.611 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3scnc3C)C2=O)cc1 729144756 FCOXZWYCWUHGKA-QNDQBVDNSA-N 484.672 5.411 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3I)c2)cc1 729375567 LDSKHEFHUGYVEZ-UHFFFAOYSA-N 485.237 5.116 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)c1 729630793 AGTKCKOMFCLHPJ-BCSIRWHNSA-N 492.670 5.658 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc3ccccc3c2)cc1 729669041 BRCPSEPGTXCXNM-UHFFFAOYSA-O 473.574 5.510 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1c(Cl)cccc1Cl 729881043 JWBQMJSCCVYBHD-FQEVSTJZSA-N 480.395 5.681 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1Cl 729887895 FFMOLDFMTNUJBK-LJQANCHMSA-N 487.947 5.302 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(C3CCC3)C2=O)cc1 730460239 VNRSNQBABBMHPB-FQEVSTJZSA-N 489.544 5.200 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(C2CCC2)C1=O 730462529 NVDOPHZYSGJHQD-NDKFBNENSA-N 471.648 5.479 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccco1 730523497 CIUMOIDZBCFWBU-OAQYLSRUSA-N 469.513 5.281 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2C)c(C)s1 730708993 LUFQAYFFBPOQIC-JXFKEZNVSA-N 479.631 5.185 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1 730720675 NCRSQHHLUOSMEX-SFHVURJKSA-N 493.347 5.281 30 20 JKED C#CCOc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)c1 730980130 RZUFSAWZNTYFDX-UHFFFAOYSA-N 482.508 5.283 30 20 JKED CN(C)C(=O)COc1ccc(C(=O)/C=C/c2cn(C(C)(C)C)nc2-c2ccccc2Cl)cc1 731157665 YTEMAMBVIKPRSC-NTCAYCPXSA-N 465.981 5.322 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)s2)c1 731306343 AJSAHAFOPUOABW-NRFANRHFSA-N 465.600 5.231 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl 731340953 WKMKGYIGORXQPZ-UHFFFAOYSA-N 499.319 5.517 30 20 JKED N#C[C@H](NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)c1ccc(F)cc1 733622240 WXXNFERJKFAJHD-NRFANRHFSA-N 492.626 6.089 30 20 JKED Cc1cc(COc2ccc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)cc2Br)no1 743467947 HPSNIQCOARROIQ-INIZCTEOSA-N 473.298 5.003 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)ccc1OCCOc1ccccc1Cl 745626949 WOMSNYUSBXNJBI-LUAWRHEFSA-N 493.943 5.659 30 20 JKED COCCCOc1cccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c1 746486455 AYNVJAOXLVUROH-UHFFFAOYSA-N 467.978 5.384 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)cc1 746697783 LXMHEYBERWAQOD-QFIPXVFZSA-N 467.635 5.387 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1ccc(F)c(Cl)c1 747601998 XODQFOSIBNWZIO-SFHVURJKSA-N 474.970 5.096 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1 799212938 ZUIAVXCZRLXOTC-HNNXBMFYSA-N 459.852 5.002 30 20 JKED Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1cnc2c(c1)c(C)nn2C 818577615 QDTYMKPEWAFVED-QFIPXVFZSA-N 486.557 5.111 30 20 JKED Fc1ccc(OCc2nnc(S)n2N=Cc2csc(-c3cccc(Br)c3)n2)cc1 839415998 XCNMVFIEMJDGEW-UHFFFAOYSA-N 490.383 5.053 30 20 JKED CCCCCCn1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccccc2c1=O 875063346 YSNBZEHCLBDFME-UHFFFAOYSA-N 471.586 5.148 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccccc2COC(C)C)c1C 914547504 YGTUMAYKZLOYJK-DEOSSOPVSA-N 479.646 5.029 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(OCc3ccccc3)cc2)cc1 915758739 IKMOLNMYRLUXAJ-MUUNZHRXSA-N 475.548 5.176 30 20 JKED COc1cc(Br)c(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1O 916127947 POOHSXBDXQXXCK-XFXZXTDPSA-N 482.330 5.077 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@@H]2CCCO2)c1 916204484 GNTKYEKBXDMZKS-NZQKXSOJSA-N 465.619 5.060 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccccn3)C2=O)cc1 916210961 KNXYHOXQHNANQO-QHCPKHFHSA-N 458.587 5.167 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C2CC2)C1=O)Nc1ccc(F)cc1F 916214131 JIBSTNARNOJOCQ-QGZVFWFLSA-N 483.512 5.402 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cc(C3CC3)nc21 916886702 JFGVHNFWGGUKSX-QGZVFWFLSA-N 469.517 5.165 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916928437 LFTMZQAMUHZHTI-SFHVURJKSA-N 480.355 5.086 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc12 916931942 OXJHWLYPHNBUCS-LLVKDONJSA-N 481.133 5.207 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1OC 916935791 WICVUQJYIAICBR-JOCHJYFZSA-N 485.515 5.271 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OCc1ccccc1 916946593 ZIZWNBPVULEQLK-FQEVSTJZSA-N 499.350 5.551 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)cc1 916950515 UMFCADIARKLXAR-PGRDOPGGSA-N 475.618 5.227 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)CC1=O 917040252 IXJYNIOCIYWIRI-BQFCYCMXSA-N 450.489 5.174 30 20 JKED CC(=O)Nc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C)c1 917664097 FAJAKFQPMCWKHI-XMMPIXPASA-N 486.597 5.114 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O 917700586 LKFUFUVTKQEQTD-VWLOTQADSA-N 496.592 5.404 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 917701027 QEVSTTPQOBIDAG-KBMIEXCESA-N 480.593 5.956 30 20 JKED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 917876961 VQJXHLAAZHZSNZ-DEOSSOPVSA-N 459.933 5.478 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c1 920083408 MWYNBSDJXYFCKN-QLYXXIJNSA-N 491.038 5.242 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 920107727 FVJNJLXZBJZBKN-INIZCTEOSA-N 480.418 5.167 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cc(C)on3)C2=O)c1 920354163 ZRBBRKIHCIKINO-JOCHJYFZSA-N 497.020 5.722 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920804533 UHBORGASHCFPGX-OAHLLOKOSA-N 481.553 5.200 30 20 JKED CCOc1ccc(NC(=O)COc2ccc(/C=C3/Cc4c(F)cccc4C3=O)cc2OC)cc1 921265898 GCJXCXUYZIHQSM-AQTBWJFISA-N 461.489 5.073 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)COc4ccccc4C#N)CCC3)cc2)ccn1 1787037742 AERBPNDMXNEZBL-UHFFFAOYSA-N 482.584 5.077 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc4occc4c3)cc2)CCC1 1789051440 SXDJNAOUYSGYEA-UHFFFAOYSA-N 465.509 5.131 30 20 JKED Cn1cc(C(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c2cccnc21 1789397860 KIUFAVDAZMVTSF-UHFFFAOYSA-N 486.692 5.372 30 20 JKED CC(C)[C@H](C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1)c1ccc(F)cc1 1790148636 BHHIGDGAKDSCTR-DEOSSOPVSA-N 458.537 5.213 30 20 JKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1)c1ccccn1 1791941728 GEXUSYZRQGJRKE-KRWDZBQOSA-N 458.949 5.158 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1cccc(F)c1)C2 1798417570 MKXGSZPSKOOYDT-BKFWDETESA-N 491.683 5.191 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)ccc2F)c1 1800686191 OTJSHUUWXQOEGZ-WKCHPHFGSA-N 498.396 5.149 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc2ccc(Br)cc12 1800877971 ANIMGCYAFBYSLH-ACDBMABISA-N 482.422 5.018 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1 1801401275 UXVRMEIJAAYCPI-CRNKYVSFSA-N 485.672 5.266 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1802381062 GLBZBFCQYAWZCJ-GGCFSWKVSA-N 494.639 5.032 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cccnc3SCc3ccccc3)[C@H]2c2cccnc2)C1 1802418520 UABWLAWMURBXTP-BVAGGSTKSA-N 498.652 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)C1 1805456805 HHYMKWBLAUHASW-UHFFFAOYSA-N 455.042 5.371 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809442644 ANXOFQLFDFWPEA-CLOONOSVSA-N 480.033 5.463 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)cc1 1810270833 AAKOZOMDJPWQOQ-PAUTXSKSSA-N 489.736 5.251 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc3cc[nH]c23)[C@@H]1c1cccnc1)c1ccccc1 1810443167 DGURZLIZYZTIHE-UWPQIUOOSA-N 490.607 5.080 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810452857 KGYOHXQJNYYYPB-IZLXSDGUSA-N 480.612 5.232 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC2(CCCN(C(=O)c3cc4ccoc4s3)C2)CC1 1810501524 JFXLCPQNWXEBHH-UHFFFAOYSA-N 466.990 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)[C@H]1c1cccnc1 1810505071 MEPLOMFHCAJFIY-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1811305000 SGZRYAWMJKZKQF-FBIATWESSA-N 498.652 5.823 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)s1 1811361480 YHMPNMPFWVQDIL-DHLKQENFSA-N 486.641 5.140 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccccc2Cl)[C@H]1c1cccnc1)c1ccccc1 1811705503 VGBAPXFPRYYBAA-ONBPZOJHSA-N 486.015 5.252 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@@H]1c1cccnc1 1812219177 NVEIHKLXXFNMKS-IADCTJSHSA-N 494.595 5.336 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812219453 YEEHCWDWQFVJBZ-JYFHCDHNSA-N 473.642 5.693 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)[nH]n1 1814439998 IYBHMXYBMPOBJW-FQEVSTJZSA-N 489.661 5.040 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)COc3c(Cl)cc(Cl)cc3Cl)n[nH]2)C1 1814688127 TWRWWERYWQELKF-SFHVURJKSA-N 497.810 5.407 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1815218811 UJMQRIPZIAJCQV-BXKMTCNYSA-N 494.542 5.252 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(F)cc3F)n[nH]2)c(Cl)c1 1815521695 NJQLZHYUQXNCQS-OUZREKFBSA-N 495.917 5.232 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC2CCCC2)n[nH]1 1816693759 QFZGYCGSKOKHEF-QFIPXVFZSA-N 456.707 5.423 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)[nH]n2)CC1 1817109002 CHGQPMNKENPYJI-XMMPIXPASA-N 490.567 5.235 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)[nH]n3)c2[nH]1 1818651552 MVVXAXHJLNLLAN-QHCPKHFHSA-N 489.696 5.556 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3n2)n[nH]1 1819187412 QRCUSLMVUHRMSX-BTYIYWSLSA-N 496.409 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)[nH]n1 1819304837 KAEOKOKQDSEDKA-HYBUGGRVSA-N 459.594 5.284 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)[nH]n1 1819385201 MUTVPQMLEGTHJC-NRFANRHFSA-N 476.653 5.513 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)c(F)c3)n[nH]2)c1 1820237754 GJDJRWOZQBKMIU-DEOSSOPVSA-N 482.519 5.035 30 20 JKED CC(C)n1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)c(C(F)(F)F)c1 1820547084 BEWMCFZCEZKJIH-NRFANRHFSA-N 498.509 5.302 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)[nH]c2c(Cl)cccc12 1820547141 FADMYGHWDQYCCC-OAQYLSRUSA-N 486.963 5.344 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(CC#N)cc4)n[nH]3)c[nH]2)cc1 1821178306 NWZNUBONLADRCL-AREMUKBSSA-N 492.583 5.399 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sc(C)cc4[nH]3)[nH]n2)c1 1821326024 ZWCRUDLFJJSADI-NRFANRHFSA-N 472.574 5.061 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1cccc2ccoc12 1821533335 ZTIUHIHGZYVKSG-QFIPXVFZSA-N 472.932 5.167 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1)C(F)(F)F 1821992605 BAVZJACMMCTCHL-QGZVFWFLSA-N 487.507 5.302 30 20 JKED C=C(C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1)C(F)(F)F 1821992856 JUAPXCYUNWHFCP-GOSISDBHSA-N 499.518 5.597 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cccc1C(F)(F)F 1823290551 WGWSHPOBWPQROR-OAQYLSRUSA-N 481.478 5.228 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)CC2)c1 1823782738 QKYHYPZMNXLOGO-WXVAWEFUSA-N 469.629 5.279 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1823916965 IMKVOKJFXMQXEE-NEQMZLFVSA-N 485.049 5.382 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1823928978 CCYLQMDXDZVGIG-BCHFMIIMSA-N 461.581 5.308 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1824453016 KKDUGQVHEGUBJO-QYHPOFIQSA-N 499.655 5.359 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1824504815 SMDXMMYAZJYRPO-GBXCKJPGSA-N 494.598 5.239 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1824509734 FUDFJNUXANCHSX-KKSFZXQISA-N 486.962 5.183 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1824511596 LLKVLBRAPIJFQA-MBSDFSHPSA-N 493.475 5.236 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824784039 SLWDPLVDZLSVJY-HSZRJFAPSA-N 491.717 5.294 30 20 JKED CC(C)n1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(F)(F)C(F)F)CC2)c(C(F)(F)F)c1 1824844860 MSGYSPAITIGARQ-KRWDZBQOSA-N 499.471 5.222 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCc2ccncc2)CC1)c1ccccc1 1825253270 GMDJWGJHFIMFQR-FQLXRVMXSA-N 485.672 5.221 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2OCc2ccccc2)CC1 1826692652 YQIVTITUNJWXDD-RUZDIDTESA-N 494.035 5.456 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827345006 CAHPUIVMCMEGFK-JTHBVZDNSA-N 490.069 5.183 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2-c2ccccc2)CC1 1827876673 PQMZFRLKAIHZMH-SANMLTNESA-N 457.618 5.176 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2F)CC1 1827955675 RVGPGMZASDQWLW-GDLZYMKVSA-N 495.598 5.168 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ncccc34)CC2)c(Cl)c1 1828029573 RBYXRHHENCYSGC-SANMLTNESA-N 487.003 5.307 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c1 1828261541 PBBRAOUNHBEVJM-FNZWTVRRSA-N 469.585 5.607 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828294070 PJVBYQYBMQXOLO-BWKNWUBXSA-N 468.041 5.823 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn3ccc(Cl)cc3n2)CC1 1828329243 AIINOPYTBAYRDZ-QFIPXVFZSA-N 471.045 5.213 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 1828822512 ILRQXTQKEZCZCP-JYFHCDHNSA-N 496.602 5.357 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C)nc2)CC1)c1ccccc1 1829029415 AEWHCACYYGEPOX-FQLXRVMXSA-N 485.672 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 1829066255 YGLWWZYWYPMXGV-HXUWFJFHSA-N 465.560 5.326 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 1829775441 KHNJKKKLUBWCNC-OAQYLSRUSA-N 492.929 5.106 30 20 JKED COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)ccc1C 1830072242 RVOMXVZTJCTQSV-LVXARBLLSA-N 473.617 5.178 30 20 JKED C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)CC1 1830172080 KERQCDLAZOASSF-CBIUGAAKSA-N 489.635 5.291 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)C1 1830529963 YALXVECVYCWHTH-NRFANRHFSA-N 452.492 5.044 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)CC1 1830683280 DGBQHSCONRXYET-UPVQGACJSA-N 468.638 5.014 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CSC3CCCC3)CC2)c(Cl)c1 1830720869 KEUNDFYLAMQSIR-QHCPKHFHSA-N 474.070 5.121 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830721527 OKMDDMXREIZRCA-XMMPIXPASA-N 493.051 5.451 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)c1 1830770786 HCLIEQPKZHYIIL-AREMUKBSSA-N 472.564 5.034 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1830796074 SFXUXFMSPACCIV-DEOSSOPVSA-N 492.582 5.445 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1)C(F)(F)F 1831291413 YPZVQSGLSDZCMQ-FQEVSTJZSA-N 468.947 5.110 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCCCC2)CC1)c1ccc(O)cc1 1831920388 DDYOTNUNEQXBOE-BDYUSTAISA-N 464.650 5.089 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831927121 LECFSBCOXNVLST-IEDNFIQGSA-N 490.688 5.335 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1 1832556058 MKRFPEVWANJOOC-SANMLTNESA-N 459.565 5.122 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)CC2)c1 1832558162 RVVNPZVQUWPLLO-KMRXNPHXSA-N 469.629 5.738 30 20 JKED COc1cccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1832634188 PFWQEWVQPMWLPV-KDYSTLNUSA-N 487.644 5.107 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)c1 1832635190 WSNUJTOAOHSWNK-HOYKHHGWSA-N 498.549 5.275 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c(Cl)c3)CC2)CCC1 1832785150 JUYIAYLNHKBMCW-HXUWFJFHSA-N 492.845 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCSCc3ccc(C)cc3)CC2)CC1 1835816665 XRIAXDHGWXKAHA-UHFFFAOYSA-N 499.765 5.182 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)CC1 1836696450 SRBGHYIBEGUKNZ-UHFFFAOYSA-N 485.068 5.139 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CC=CCC2)C1 1845127350 MJKZVHBGVDFSFS-GOTSBHOMSA-N 489.701 5.190 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 8641567 BCRPABFVVKYVSK-QMHKHESXSA-N 453.999 5.123 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccc(CC)cc2)cc1 10173769 LLEIBWZWCLWVFV-UHFFFAOYSA-O 474.433 6.293 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(C(CC)CC)cc2)cc1 10173894 RPUMCYUBLJHVAH-UHFFFAOYSA-O 483.604 6.606 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(Cl)c(Cl)c1 11159945 LZUYMMNGIOEEAF-UHFFFAOYSA-O 460.406 5.903 30 20 JKED CCc1cc2c(=O)n(CCc3ccccc3)c(S[C@H](C)C(=O)Nc3ccccc3C#N)nc2s1 11206139 SSZDUYDTDALMHC-QGZVFWFLSA-N 488.638 5.254 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 11461494 TTWGSGWNWJHZNO-UHFFFAOYSA-N 467.890 5.067 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 14872443 ZZYMKXJKAKLRAY-UHFFFAOYSA-O 486.430 6.188 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc2scc(-c3ccccc3)c2c1=O 16715365 PJHHSPNFYHZDMD-CQSZACIVSA-N 483.565 5.709 30 20 JKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1ccc(OC)cc1 18771540 XBBKOPHLMIZURZ-UHFFFAOYSA-N 453.593 5.414 30 20 JKED CCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2cc(Cl)ccc2c1=O 22062864 JHSPURQDWSKMHI-HNNXBMFYSA-N 472.973 5.026 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nnc(-c2ccc(C)cc2)o1 26433752 ZOGTVLFFFMGXJY-MRXNPFEDSA-N 451.527 5.394 30 20 JKED CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 32940884 VFQPGLSTOXAPNP-UHFFFAOYSA-N 488.466 5.469 30 20 JKED C=CCn1c(SCC(=O)c2sccc2Br)nc2cc(Cl)ccc2c1=O 59121536 AFLVTBULCJRALG-UHFFFAOYSA-N 455.786 5.035 30 20 JKED C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(OC(F)F)c1 71934375 WEWQZVWPNMPURC-QGZVFWFLSA-N 451.473 5.816 30 20 JKED CCc1ccc(NS(=O)(=O)c2cc(C(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)ccc2OC)cc1 115763105 RIZSURHWFWEREK-LJQANCHMSA-N 491.613 5.153 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C)c(OC)c1 195652719 CRWBLTCBXWFBEZ-JOCHJYFZSA-N 478.552 5.548 30 20 JKED Cn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1ccccc1F 255931101 UBGWMLBCSULBCE-UHFFFAOYSA-N 478.393 5.390 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(C(=O)N2CCCCC2)c1 302937222 GRTHDVXEICPRRK-UHFFFAOYSA-N 483.037 5.615 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)cc2)c1 303133764 CMCSUMCDHDZGSY-UHFFFAOYSA-N 489.575 5.781 30 20 JKED Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1I 303240757 JNPWKATVVIDDBY-NRFANRHFSA-N 482.321 5.173 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccc(C(C)(C)C)cc1 303292351 MTQXDFPNDGEVRO-GOSISDBHSA-N 493.702 6.245 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)nnc1-c1ccccc1 410178578 NHEWLTANEVHWRH-LJQANCHMSA-N 487.654 5.938 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 479812134 GHXZDZUFRSFTDO-DLBZAZTESA-N 490.098 5.300 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccccc2SCc2cccs2)CC1 481804060 GDODKWMEAWBEHX-UHFFFAOYSA-N 476.583 5.122 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)Cc3ccco3)c2)cc1 482540062 ALJCCFXBHPXNFO-UHFFFAOYSA-N 491.547 5.678 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3(NC(=O)NCc4ccccc4)CCCC3)c2)cc1 486013105 FBUVTEHMCSIHGH-UHFFFAOYSA-N 482.584 5.082 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4ccccn4)n3)s2)c(C(F)(F)F)c1 487476961 SNIUNCVPYXYJNP-UHFFFAOYSA-N 485.516 5.324 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 491299751 BNXRNYUTTWQSRJ-UHFFFAOYSA-N 464.516 5.011 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)O[C@@H](C)C2 500042156 VOBXJVXSRNQTKU-LVWPNOBMSA-N 459.571 5.070 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(SCc2nc(C)no2)cc1 500111091 HIYWNAFPJYHCEW-UHFFFAOYSA-N 476.371 5.400 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 500759063 OBIOUMCMZSRXOI-UHFFFAOYSA-N 489.597 5.015 30 20 JKED O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 502139247 NJVHMSDDVGKDRN-OAHLLOKOSA-N 493.423 5.373 30 20 JKED CC[C@@H](C)n1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1 504315913 YFDLBFGRUKCVND-MSOLQXFVSA-N 451.571 5.483 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1Cl 508355420 BCKOZSZDMLYRGC-HSZRJFAPSA-N 497.986 5.467 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)s2)cc1 510234839 FQEXNAMTYGJZGH-SFHVURJKSA-N 490.441 6.378 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 510656328 FOYMMSAPXYTOFK-UHFFFAOYSA-N 467.481 5.243 30 20 JKED C=CCOc1c(Br)cc(CNC2CCN(Cc3ccccc3C)CC2)cc1OC 512810251 QPADDDIZRZTKEQ-UHFFFAOYSA-N 459.428 5.085 30 20 JKED C=CCN(C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514616837 PBVKKZDICRAVEH-UHFFFAOYSA-N 458.337 5.243 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccccc1F 515353859 OMGYRXJZXCSYEI-GFCCVEGCSA-N 457.531 5.138 30 20 JKED N#C[C@@H](C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nc2ccccc2n1C(F)F 515540086 HTLMRGNVVSSTAY-ZDUSSCGKSA-N 470.888 5.889 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cs1 515605829 UWQHIULDCNLWRB-UHFFFAOYSA-N 490.585 6.274 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl 516343444 DNCGOUJCXBFUKV-MRXNPFEDSA-N 462.314 5.358 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)CC1 516780905 YJJHVWQTMFZJMJ-UHFFFAOYSA-N 474.467 5.607 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCc1ccccc1C(F)(F)F 517467206 PVNBSEWVUGHYLY-UHFFFAOYSA-N 489.441 5.027 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nnn1-c1ccccc1 518175431 WYWOXXVQCXWSRW-MRXNPFEDSA-N 454.342 5.496 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccc(F)cc1 518652766 BQAODAVQUVVTRE-INIZCTEOSA-N 467.595 5.395 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)cc1 520558008 YLNTZBNYLCEGKQ-UHFFFAOYSA-N 491.547 5.470 30 20 JKED C=CCOc1ccc(C(=O)Nc2nc(-c3sccc3Br)cs2)cc1OC 521310296 FJLIVSQIYGFKTE-UHFFFAOYSA-N 451.367 5.460 30 20 JKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(F)cc1 553416657 PKFOWNMQHHQJEL-IBGZPJMESA-N 495.542 6.082 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nnn(-c4ccc(OC(C)C)cc4)c3C)n2)cc1 596533340 LLGPAVIUTADANS-OAQYLSRUSA-N 457.559 5.285 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)CC1 603460293 SWXQZZYAOYTFFW-GQHPKTMLSA-N 492.554 5.476 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 603527028 FTLOYOUESCSYDA-UHFFFAOYSA-N 482.005 5.088 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cn2)cc1 603690735 PFOWXRVBMZFVFK-ZIAGYGMSSA-N 472.389 5.777 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2cccs2)cc1 603706264 TYXPYQTWWHZEHH-QRQCRPRQSA-N 451.979 5.631 30 20 JKED CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1c1ccccc1OC 603764429 GCIYFEKDABGOEV-UFHPHHKVSA-N 498.583 5.473 30 20 JKED CSc1ccc(C(=O)c2ccccc2C(=O)Nc2nc(C)c(SCC#N)s2)cc1[N+](=O)[O-] 603774943 MBLULIUTCBWBBC-UHFFFAOYSA-N 484.584 5.181 30 20 JKED CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604139400 KFTAUJXFBKSYNU-NIYFSFCBSA-N 470.573 5.711 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(C#N)cc1 604421027 BQFDPHQWAFQFQS-HNNXBMFYSA-N 495.461 5.037 30 20 JKED C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609086907 HZAKREJJKHLYOM-INIZCTEOSA-N 465.912 5.088 30 20 JKED CCN(Cc1ccccc1C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087315 HOWUVLAZAZGRQF-UHFFFAOYSA-N 461.949 5.086 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1I 609089967 POAVBLXZKJACTO-GFCCVEGCSA-N 480.277 5.491 30 20 JKED CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 609148575 MKNDHLDXKFZOFQ-QGZVFWFLSA-N 460.559 5.062 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 609377344 UDEQDPJCKZSNEL-CQSZACIVSA-N 484.672 5.399 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 609378741 KPRCBWAMLKPWBE-UHFFFAOYSA-N 458.518 6.164 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCOc3ccccc3-c3ccccc3)cc2)c1 609438825 XZKKCBYYFUGRPG-UHFFFAOYSA-N 477.520 5.151 30 20 JKED O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612806198 WUDUDZXWCLJHOB-ISARSNTHSA-N 462.409 6.124 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)n2)cc1 612894704 JFYMZNVVKXJGHS-HSZRJFAPSA-N 476.561 5.367 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 615845360 IAZPXYNJTQROCN-PNDGYWDASA-N 456.402 5.255 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2c(F)cccc2F)cs1 620304259 OIWVSVOWITWLJI-HNNXBMFYSA-N 465.506 5.892 30 20 JKED COc1cc(Br)ccc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 623584334 MNMMJJRJEJHDJE-GFCCVEGCSA-N 455.255 5.576 30 20 JKED C=CCn1c(SCC(=O)N2CCC(c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 642015763 IKBMXRICAWBBSL-UHFFFAOYSA-N 453.011 5.283 30 20 JKED Cc1nc(CSc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cc2)cs1 642282331 DOXYYWQQEZYTLO-QGZVFWFLSA-N 454.527 5.979 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642380204 DGIDTYOZOPTRDO-UXCLJVHYSA-N 480.218 5.381 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 726321735 OXADNCGNMCBOMO-INIZCTEOSA-N 469.284 5.070 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(C)C)cc2)s1 726411119 KVUXUHTZETUUMV-HRAATJIYSA-N 471.648 5.205 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N([C@@H](C)Cc2ccco2)C1=O 726420046 HAYYDVQGDDXCAU-ZIIXZNBGSA-N 497.642 5.371 30 20 JKED C[C@@H](N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1cccc(O)c1)c1cccs1 726579427 VJJQJEXEEHPKHT-MRXNPFEDSA-O 482.651 5.100 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C/c2cccc(Br)c2)cc1 727355461 SEDZKFVWXKEFCI-TWLJRWAQSA-N 453.361 5.517 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl 727655098 SVVVTNVMKSAXHH-KXPUMZMLSA-N 496.441 5.186 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728187683 ZVRZLPFMHKMROW-VWLOTQADSA-N 455.489 5.179 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccc(OC)cc3)o2)c1 728249115 ILUMCZMFINHHJF-UHFFFAOYSA-N 455.539 5.052 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 728333721 TVWGACMBXLAQBY-CQSZACIVSA-N 488.422 5.317 30 20 JKED COc1ccc([C@@H](NC(=S)Nc2ccccc2C#N)c2ccccc2)cc1Br 728451200 ACHUMUYVJJZXHS-NRFANRHFSA-N 452.377 5.405 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728668111 LYAXAEQKANSROL-HXUWFJFHSA-N 480.524 5.337 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C/c2ccc(O[C@@H](C)C#N)cc2)C(=O)c2ccccc2)c(Cl)c1 728698372 IGJIHAMCUPFLLA-CKMDTHJYSA-N 458.945 6.153 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2Cc2ccco2)c1 730530530 SSMZACSYTULZKT-HSZRJFAPSA-N 493.585 5.020 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2Cc2cocn2)cc1 730720490 RJIRVTZSXVBADG-GOSISDBHSA-N 489.384 5.450 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 730944744 ZQAFYBRCPSNWBB-BTYIYWSLSA-N 482.968 5.596 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cnc(-c2ccccc2Cl)s1 731077427 HUEXCEWTWZRXTA-CQSZACIVSA-N 471.991 5.653 30 20 JKED Cn1c(SCc2ccc(OCC#N)cc2)nc2scc(-c3ccccc3Cl)c2c1=O 731158499 BMRUNJSHTCQAOG-UHFFFAOYSA-N 453.976 5.510 30 20 JKED CC(C)CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731305187 IWQAQRGGSVHGPN-NRFANRHFSA-N 490.025 5.069 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C(C)C)cc1 731309534 XDRYJBPUAAZRSM-HSZRJFAPSA-N 492.601 5.281 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 746697181 AXISLUCRVXDJSY-FQEVSTJZSA-N 459.999 5.117 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCCOC2CCCC2)c1 747043837 MQNNALVBUJLKOK-QHCPKHFHSA-N 499.608 5.144 30 20 JKED Cc1ccccc1[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccs1 748503461 QSDMYNOJJRRPFT-QHCPKHFHSA-N 473.554 5.725 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C(C)=O)c2ccccc2)c1 762550240 WEQNTAKBIUTXQP-DEOSSOPVSA-N 483.973 5.208 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O)Nc1ccc(F)cc1F 799210770 WPNJNDPEZLPXAH-LJQANCHMSA-N 493.457 5.641 30 20 JKED O=C(COc1ccc(C(=O)/C=C\c2ccccc2OCc2ccccn2)cc1)Nc1ccccc1 819843214 WAUMHZLCCQRKGQ-SDXDJHTJSA-N 464.521 5.574 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@H](C)c1cccnc1 838191610 FCXDMIJYEZUIBT-HXOBKFHXSA-N 476.577 5.505 30 20 JKED O=C(NCC#Cc1ccccc1)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 901717260 JVXRQWPERKTUJY-UHFFFAOYSA-N 473.648 5.737 30 20 JKED CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915179726 HDBIRHVPBKBXLT-XMMPIXPASA-N 455.539 5.119 30 20 JKED O=C(COc1ccc(C(=O)/C=C\c2ccc(O)c(Br)c2)cc1)Nc1ccccc1 916128251 VBHDZQIAQXUNQY-SDQBBNPISA-N 452.304 5.068 30 20 JKED COc1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc(Br)c1OCc1ccccc1 916154518 JDHXQOIEAXHZOQ-DEDYPNTBSA-N 487.419 5.539 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@@H]2CCCO2)c1 916204711 ADOIYLUNRLONCY-RXVVDRJESA-N 472.010 5.096 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccccc1C 916216378 UBRFTCCXPZWTID-NRFANRHFSA-N 490.025 5.044 30 20 JKED COc1ccc(-c2ccc(C=Nn3c(C)nc4scc(-c5ccccc5)c4c3=O)o2)c([N+](=O)[O-])c1 916310690 DNOPASYEJMSJAC-UHFFFAOYSA-N 486.509 5.492 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cc1 916710613 MASROXGXAUZTNY-PBQGTZBKSA-N 482.650 5.166 30 20 JKED CN(Cc1csc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916721359 VZRKDULUHOHOOR-RWEWTDSWSA-N 484.647 5.158 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(CSc2ccc(C)cc2C)c1 916926379 YUZNWXGVOPISQX-JOCHJYFZSA-N 458.583 5.956 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccc(OC)c(Br)c2)cc1 916951193 XUESVQJALWLDAD-HNAYVOBHSA-N 457.368 5.251 30 20 JKED N#C[C@@H](C(=O)/C=C\c1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995044 ASOLAHDLIBZBLG-DANTVBBOSA-N 456.379 6.616 30 20 JKED CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917045904 CJTUZPHTQFVYGH-JQKORGPASA-N 470.038 5.483 30 20 JKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4)n3)c12 917560312 VSPSILYFYNDTDH-SDNWHVSQSA-N 499.571 5.960 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 917680655 JVHQGMDVSHTBSF-SBUREZEXSA-N 494.592 5.076 30 20 JKED CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 918306645 BXSXQJBCEFBPDE-XMMPIXPASA-N 474.992 5.049 30 20 JKED N#CCOc1ccccc1C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 919993836 HUHXJOMKQZMQRZ-OAQYLSRUSA-N 450.420 5.003 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)n2)cc1 920141030 LNLPQRPIJCSYSK-ZCYQVOJMSA-N 475.529 5.626 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(C2CCCC2)C1=O 920174671 CYMIJYQJJLRKMN-QHCPKHFHSA-N 463.603 5.087 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C[C@H]1CCCO[C@@H]1c1ccccc1 920354769 FWOQAAOBUBBSRC-YMVVMYQSSA-N 491.657 5.017 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cs2)cc1OC 920806458 LRURPRMKHIEUIM-OAHLLOKOSA-N 497.548 5.648 30 20 JKED C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(N2CCOC2=O)cc1 920976264 CWBXBCMUMFYNRV-IBGZPJMESA-N 470.529 5.171 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(Cl)c(F)c(Cl)c1)C2 1779274230 PEPCIJUUVFWVAU-WSCWJOSJSA-N 483.411 5.028 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1781740878 JOPYJGNRZVAROF-GQKQNTPFSA-N 496.598 5.224 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc5c(Cl)cncc5s4)CCC3)cc2)C1 1785806635 HIDFNTHLLMROQK-UHFFFAOYSA-N 451.979 5.664 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)CCC2)cc1 1785936024 GMQVISJXCWFCPU-UHFFFAOYSA-N 480.008 5.072 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786183396 CFUZHFYHUCAWQP-RTWAWAEBSA-N 483.653 5.370 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4cccc(F)c4)cc3)CCC2)C1 1788373944 GFXHBOHTGAIWCV-UHFFFAOYSA-N 455.533 5.602 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4cccc(F)c4)cc3)CCC2)CCC1 1788375047 UOCFCRQPDLQIAI-UHFFFAOYSA-N 468.532 5.329 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3ccc(F)cc3C(F)(F)F)CCC2)cc1 1789516285 LWNCYNITUJVAER-OKCVXOCRSA-N 490.501 5.064 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)cc3)CCC2)cc1 1789534001 YSAJNDBUXVPPAC-CCDWMCETSA-N 465.578 5.194 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)nc2ccccc12 1789577778 GRURPGWCCBZHRF-STBIYBPSSA-N 466.541 5.003 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789994469 AJBZFHSYDFYJDX-UHFFFAOYSA-N 466.541 5.725 30 20 JKED COc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1790232943 IUXCXRFSYYQCQD-LJQANCHMSA-N 453.542 5.384 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C(F)(F)CC=C)CCC2)cc1 1790519615 PRPYNHBDSGJKLG-HXUWFJFHSA-N 491.579 5.191 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)CC3(F)F)CCC2)cc1 1790521467 KVDLOWPQGVWWKI-CYFREDJKSA-N 491.579 5.025 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccc(C(F)(F)F)c3)CCC2)cc1 1790570051 QOVXRFYVYOIUIR-QGZVFWFLSA-N 475.511 5.183 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccccc3-n3nccn3)cc2)CCC1 1790721195 VBWJTAYGLKWUBO-UHFFFAOYSA-N 457.578 5.007 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cccc6nscc56)CCC4)cc3)c2c1 1790836435 HRRSGOBHRHBAAB-UHFFFAOYSA-N 492.564 5.106 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5c(O)cccc45)cc3)CCC2)c1 1790980177 OKXNPFJKCYQPES-IBGZPJMESA-N 490.563 5.629 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 1791407449 HLNIYPXDQPBGNJ-MOSBNWHCSA-N 493.648 5.146 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnc(C)s3)CCC2)cc1)c1ccc(O)cc1 1791646383 SAWOPXUKOPYOGH-HXUWFJFHSA-N 473.598 5.102 30 20 JKED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCCCCCCc3ccccc3)[C@H]2C1)C(F)(F)F 1792205121 QWOACOSOBONIDB-HJOGWXRNSA-N 494.598 5.058 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@H]1c1ccccc1N2 1795943018 HQJFGVINUVNFCD-ZCDDETJPSA-N 491.752 5.054 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1F 1799647628 DASBHEFOCZQDPH-BJWYYQGGSA-N 488.403 5.429 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1802495380 LAHAEJVGHBZHLR-IFMALSPDSA-N 473.539 5.412 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccnc2-c2ccc(F)cc2)C3)c1 1803680467 FRNNVKQASMDRHG-TZAMREQXSA-N 482.559 5.080 30 20 JKED Cc1csc(CCC(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c1 1804527749 RWIDZKTVLCEFHR-HOFKKMOUSA-N 495.765 5.141 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)C2)CC1 1805937812 HGBGTYDJZJTRAH-ZEQRLZLVSA-N 452.639 5.022 30 20 JKED CCCCCc1cccc(CC(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)[C@H]2c2cccnc2)c1 1807474815 AOEZPJFMDIMHAX-JDXGNMNLSA-N 494.639 5.248 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccoc3s2)[C@@H]1c1cccnc1 1807958707 CMYKJEPPNLRUEC-CTNGQTDRSA-N 451.592 5.201 30 20 JKED CC[C@@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)C1)c1ccccc1 1809162135 KEFULSRQFZHNFI-SKCUWOTOSA-N 489.635 5.301 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1810171886 HWWGFXNQEDRVLW-TZBSWOFLSA-N 474.630 5.088 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1810271713 JHNAAPSERIYNIY-IGKIAQTJSA-N 487.676 5.199 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4cccc5c4OC(C)(C)CC5)C3)CC2)c1 1810718206 IYPLSWDOMIYREI-QFIPXVFZSA-N 499.655 5.576 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@@H]1c1cccnc1 1811367345 IUAXMWBXDWNZIQ-AOMKIAJQSA-N 495.904 5.016 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c4cccc(Cl)c34)[C@H]2c2cccnc2)c1 1811936922 FIASENWDGRLRFV-IBVKSMDESA-N 497.986 5.030 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc3ccoc23)[C@H]1c1cccnc1 1812229949 BOUMMQLMUWIOQY-JYFHCDHNSA-N 487.676 5.199 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2)[C@H]1c1cccnc1 1812592024 HUUIQMAARNNEND-WJPUGNRLSA-N 490.829 5.029 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@@H]1c1cccnc1 1813052176 CMKAEMKLHFEAEV-KSFYIVLOSA-N 495.904 5.016 30 20 JKED Cc1ccc(F)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814578399 DYYKGYWIECQALE-SBUREZEXSA-N 459.525 5.104 30 20 JKED Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c1F 1814586461 NOIVQTISVQAOAW-LJQANCHMSA-N 465.916 5.002 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3sc(C)cc3[nH]2)[nH]n1 1814828436 MGMLUHUKROCZJE-FQEVSTJZSA-N 451.596 5.335 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(C)c2)n[nH]1 1817744972 JRBYJOGSKCFRRV-QFIPXVFZSA-N 475.618 5.005 30 20 JKED O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCCC[C@H]1c1cc(NC(=O)C2(C(F)(F)F)CC2)n[nH]1 1818939624 JFLIIZKFAHVHGD-HNNXBMFYSA-N 492.395 5.216 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc(F)c(F)cc3[nH]2)n[nH]1 1818988193 STWGXYVGAYOAQO-OPAMFIHVSA-N 467.520 5.244 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)[nH]n1 1819308115 VQOZUQAWAQDLBK-XLIONFOSSA-N 456.974 5.146 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H](C#CC)c2ccc(O)cc2)[nH]n1 1819309667 FOODKBSNYXAUBW-PWWKTKHKSA-N 474.605 5.073 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2)n[nH]1)c1ccccc1 1820482028 RPSSLESVQCFMPP-ZCYQVOJMSA-N 455.562 5.027 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)cc1 1821180010 SKKSWPNPYKPWGR-QFIPXVFZSA-N 487.947 5.495 30 20 JKED Cc1cccc(C)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1821193348 VTJCICDJSJNDAI-CVDCTZTESA-N 455.562 5.273 30 20 JKED Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)cc1 1821226044 WCYCKFUGGRHLRE-XMMPIXPASA-N 467.573 5.385 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821275031 VNLKRLXKWNSLOT-OAQYLSRUSA-N 451.958 5.009 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1 1821789764 HWHFYSVYRFEUBH-QRWLVFNGSA-N 494.423 5.142 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 1822249553 LTRXMIPAUYKIKE-XJRBWHPUSA-N 485.426 5.180 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)[nH]n1 1822580021 QGTJZRVJZSPKTK-QHCPKHFHSA-N 493.011 5.261 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1822584465 PZBJMWTUZDCZBV-OAQYLSRUSA-N 451.958 5.044 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216607 XKZSHZYQJRNICU-SBUREZEXSA-N 475.980 5.618 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)[nH]n2)CCC1 1823379251 QLOLLESYAFWHBH-QHCPKHFHSA-N 469.545 5.202 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccc(Br)cc3F)CC2)C1 1823697410 OXQJVHZBRQYQJP-DRGXBFSJSA-N 489.429 5.187 30 20 JKED O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824410341 INZLBMOVUSKTAY-QHCPKHFHSA-N 464.993 5.247 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1824500850 HYANEYYCSRFXQL-MUUNZHRXSA-N 474.645 5.570 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1 1827345783 MOVCMPGRZUJGKU-JOCHJYFZSA-N 488.053 5.148 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccoc3c2)CC1 1827498965 CFXISCANYKFPJP-XMMPIXPASA-N 479.697 5.112 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)CC1 1827720585 LISPAZHFHBZEGO-HSZRJFAPSA-N 480.678 5.431 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1828153473 OZBKFBVUCKUJDP-RUZDIDTESA-N 474.992 5.240 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3sc4ccccc4c3Cl)CC2)CCC1 1828166293 MCNRCKGKLRPGOY-IBGZPJMESA-N 470.038 5.482 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c1 1828400266 HDWVPZUKRAZYDQ-GSDHBNRESA-N 476.020 5.249 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(C)cc3s2)CC1 1828889460 RLIRJAFRBLTNRT-QPPBQGQZSA-N 468.663 5.016 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccoc2)CC1)c1ccccc1 1829029597 DAELTLHLWWIJSK-XJXZZZRASA-N 458.602 5.110 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)c(Cl)c1 1829689336 BASSYBHYHNPWMG-HSZRJFAPSA-N 495.410 5.284 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(c2)c2ccccc2n3CC)CC1 1829695421 PUJPVLMEVPTCBT-RUZDIDTESA-N 457.618 5.624 30 20 JKED CC(C)c1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)on1 1829802519 LWKATHWYDZFPAJ-QHCPKHFHSA-N 471.718 5.082 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1830471266 NFRSQWHVXGIGJL-VWLOTQADSA-N 494.035 5.546 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471917 QHADFHJCBGCBBH-WMZHIEFXSA-N 492.060 5.161 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2Cl)CC1 1830530992 BQUWJSSRUXBVJE-LJQANCHMSA-N 471.798 5.051 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1831375363 URQXOBRSFYLSBE-RXVVDRJESA-N 473.614 5.072 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1831508790 GFBWVKOPRGWCHR-RXFWQSSRSA-N 478.036 5.639 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1C 1831714877 UBDJIDMBQVBKOZ-DEOSSOPVSA-N 494.035 5.005 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1832026132 MHJRNGIFVXVHFP-RUZDIDTESA-N 473.057 5.312 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2cccnc2)CC1 1832339883 IOWDKXCYTBJLJY-SANMLTNESA-N 481.757 5.075 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832561948 LBVAGSHHDOFFDW-JOCHJYFZSA-N 481.464 5.518 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(Cl)c3)CC2)c1 1832609850 JZVAKMSRGYGAQS-RUZDIDTESA-N 480.008 5.076 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCCn3cccc3)CC2)c1 1832631170 AGUDQEXNPQUCQR-HOFKKMOUSA-N 474.649 5.219 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)CC2)c1Cl 1832639023 GKFGMGZNGNXYOW-NRFANRHFSA-N 489.925 5.176 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(CC)CCC2)CC1)NC(=O)OC(C)(C)C 1832755313 UJZNFMSTXCHLMU-DHIUTWEWSA-N 489.701 5.046 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1832960415 JQVUJGOTMIJYPN-GYBKLEMWSA-N 477.649 5.092 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2CCC(OC3CCN(C(=O)[C@@H](S)C(C)C)CC3)CC2)cc1 1836882312 BIJDSKUPEUATTR-MHZLTWQESA-N 494.701 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(C)cccc4[nH]3)CC2)CC1 1838318589 UOEJHZPNTQQMCV-UHFFFAOYSA-N 465.638 5.081 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)c1ccccc1n3CC)C2 1844202884 HOWXVCSKSBLYDM-JOCHJYFZSA-N 455.602 5.400 30 20 JKED Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)C2)c(C(F)(F)F)o1 1845392439 DZBXPJBEPGKHHO-UHFFFAOYSA-N 492.497 5.137 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CC4(CCCN4C(=O)c4cc(C#N)cc(C(F)(F)F)c4)C3)c[nH]2)cc1 1845512876 VDRHBMPNURKEBK-UHFFFAOYSA-N 492.501 5.011 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccccc1C(F)(F)F 11156901 AKIFQRLKNTUIQE-UHFFFAOYSA-O 488.555 5.754 30 20 JKED Cc1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(Cl)c1 11684538 PWZUMVFVLBJRKS-UHFFFAOYSA-N 493.972 5.046 30 20 JKED C[C@H](OC(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12102168 NWHAFZPNHOQROA-HNNXBMFYSA-N 481.549 5.186 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)n2)cc1 14497414 OGTAIAHWCNWONR-QFIPXVFZSA-N 486.984 5.835 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc2ccccc2c1=O 15231230 TWEQFCHGAXBGPC-UHFFFAOYSA-N 454.766 5.274 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 15248003 BWOGLJNAQCRROB-UHFFFAOYSA-O 484.881 6.999 30 20 JKED C=CCOc1c(Br)cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1OCC 15503289 IVAHJVKMXBLBED-UZUQRXQVSA-N 487.394 5.158 30 20 JKED C[C@@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 18438069 PEURJZMROBAKMN-QZTJIDSGSA-N 495.052 5.459 30 20 JKED C[C@](C#N)(NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)C1CC1 21458725 GFGUBWHHCIZARR-QBFYWTLPSA-N 471.582 5.138 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1C 21729684 YDJLYEBZFINATM-DEOSSOPVSA-N 474.630 5.385 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(SC(F)F)cc2)c1 22690182 VYZBRCKNEHPYOL-UHFFFAOYSA-O 465.517 5.926 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2cccc(C)c2)cc1 22695212 NZOSFYAZVVZRKD-UHFFFAOYSA-O 460.406 6.039 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)nnc1-c1ccco1 23201758 HIYLLOUZIQAYQU-UHFFFAOYSA-N 478.188 6.069 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)nnc1-c1ccc(OC)cc1 23554324 SXEHYJQLPRRNSS-ROUUACIJSA-N 450.608 5.773 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 23603053 XQIADDGBHLVIFW-UHFFFAOYSA-O 456.635 6.421 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(CC)cc2)[n+]2cccc(C)c2)c1C 28793698 AOBUDRNGNGYNLN-UHFFFAOYSA-O 464.611 5.017 30 20 JKED Cc1ccccc1NC(=O)c1cc2ccccc2cc1OC[C@H](O)COc1ccc(C#N)cc1 30533345 UUGXXDDKMPDZSU-HSZRJFAPSA-N 452.510 5.091 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 32786438 NWPWSNFOJGSMCQ-UHFFFAOYSA-N 496.640 5.124 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 78419286 WIMWCYFZSQCYHH-UHFFFAOYSA-N 454.299 5.332 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 302953098 DXCUSUGAVKVAKZ-UHFFFAOYSA-N 473.536 5.440 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 303053551 YQCYAXIKXJWFIO-UHFFFAOYSA-N 481.474 5.959 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1 303146397 DUHNCTQJXPJVJD-VWLOTQADSA-N 460.622 5.422 30 20 JKED COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2S[C@H](C)CC#N)cc1 303318504 HHJFCNVIBICGID-FQRUVTKNSA-N 484.625 5.879 30 20 JKED C[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Oc2ccccc2)c(F)c1 409525480 NAPYTSQTTALLRF-LJQANCHMSA-N 486.547 5.611 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N(Cc3cccc(F)c3)C[C@H]3CCCO3)cc2F)c1 481692365 XLJZRYDPTOAAHL-XMMPIXPASA-N 477.511 5.629 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)n2)cc1 481828202 CCVLDIBYKYTZHT-LJQANCHMSA-N 469.488 5.754 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)c1ccc(Cl)c(Cl)c1 486974544 OBUYBXLKBAWGCT-LJQANCHMSA-N 483.355 5.648 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(N4CCCCCC4)nc3)s2)c(C(F)(F)F)c1 487106966 FYQQJALHAMAMLU-UHFFFAOYSA-N 485.535 5.652 30 20 JKED CCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1OC 487394101 YYIADAWRGGWGCI-UHFFFAOYSA-N 461.465 5.284 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 488015745 SWCZRYTULQRMCJ-UHFFFAOYSA-N 498.579 5.514 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)cc1 501454247 XNVBPAAIWIEQLE-UHFFFAOYSA-N 475.573 6.607 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 504774281 DAWLLDYGYPSYND-UHFFFAOYSA-N 482.462 5.118 30 20 JKED N#CCCCOc1cccc(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 508435772 CHBXLMXNYFTVNQ-UHFFFAOYSA-N 453.498 5.549 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1Cl 510009234 GDQRTDWNIJGCAM-RUZDIDTESA-N 458.993 5.735 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 510246443 ZVSYYGYBFCGDDS-UHFFFAOYSA-N 486.531 5.670 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(COc3ccccc3)CC2)cc1 510609095 OZIDQLWITMSRMY-UHFFFAOYSA-N 455.558 5.655 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 512265622 QKDAQMYJSYWAQV-ZDUSSCGKSA-N 485.300 5.337 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 514424879 OVPKHUJTVAVFIR-UHFFFAOYSA-N 478.570 5.100 30 20 JKED CCN(C(=O)c1cccc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)c1)[C@@H](C)c1ccc(C#N)cc1 514574848 AXTWMNHDAFNPMI-VXKWHMMOSA-N 478.596 5.877 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)cc2)c1 514624257 SKUXJTUUIJWTNX-UHFFFAOYSA-N 469.006 5.302 30 20 JKED CCc1cccc2c(C3CCN(S(=O)(=O)c4ccc(C#N)cc4C(F)(F)F)CC3)c[nH]c12 515718059 PZRLYZFRYPHZPD-UHFFFAOYSA-N 461.509 5.189 30 20 JKED Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515797854 KWZMVWWFXARPAI-UHFFFAOYSA-N 462.937 5.723 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCSc2ccc(F)cc2)cc1Cl 515898115 JNFNSFMBCGPLQE-JOCHJYFZSA-N 481.980 5.372 30 20 JKED N#CCCSc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 518139871 BMZMURHQVDCMGQ-OAQYLSRUSA-N 464.978 5.729 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccc(Cl)cc1 518668894 RWWKNWSEPAPMPG-QGZVFWFLSA-N 469.916 5.571 30 20 JKED CCOCCOc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 518714431 LZCOSERVKMIOHF-QHCPKHFHSA-N 470.978 5.212 30 20 JKED C[C@@H](Cc1cccc(Br)c1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 520052203 HKRMEDJVBJZEQJ-SFHVURJKSA-N 478.390 5.847 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nnc1-c1ccccc1C 521727543 WVJPBGZJCKVCSR-INIZCTEOSA-N 451.621 5.256 30 20 JKED C=CCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc(OC)c1OC 521733829 HUTKNZBIGFYOCP-UHFFFAOYSA-N 450.482 5.709 30 20 JKED COc1ccc(C)cc1C1(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCOCC1 521746299 DQYRWJORSBHUFM-IBGZPJMESA-N 453.608 5.125 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 522951592 UOUNMYFQQKXQBT-XUZZJYLKSA-N 465.475 6.028 30 20 JKED CC(=O)N1CCc2c(sc3nc(-c4ccc5c(c4)OCO5)c(C#N)c(-c4ccc(C)cc4)c23)C1 542515044 ZJVSDLXVZQDWLN-UHFFFAOYSA-N 467.550 5.444 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)c3cccs3)cc2)c1 553680842 UBSUYNWHMKKWRE-DEOSSOPVSA-N 487.968 5.910 30 20 JKED O=C(Nc1ccc(F)cc1)C1CCN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 586850734 FNLQZRUOXIENHG-ZIAGYGMSSA-N 483.428 5.095 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CC[C@H](c2cccc(F)c2)C1 591485488 SQLGJRMFHCGJSB-AWEZNQCLSA-N 480.380 5.729 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n2CC(C)C)cc1 597295448 AYWDNDHOMGETCY-OAHLLOKOSA-N 481.647 5.151 30 20 JKED CCCCOc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC 603449230 DWQSNVUBMNBGDA-UHFFFAOYSA-N 454.577 5.142 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 603660118 TZLFHAAWGGBFKN-UHFFFAOYSA-N 471.508 5.445 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1Cl 603759153 VEGNMGSWMJVTRB-YKSBVNFPSA-N 475.951 5.625 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccs1 603805806 IEZMLKBONSRHQS-QUCCMNQESA-N 453.951 5.483 30 20 JKED CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 603818338 BLWCPAAUMYROLE-UHFFFAOYSA-N 469.513 5.054 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OCc4cn5ccccc5n4)cc3)c2)cc1 603920863 CEJUCHHQJXEFOB-UHFFFAOYSA-N 488.547 5.811 30 20 JKED N#Cc1cccnc1Oc1ccccc1NCC(=O)N(CCc1ccccc1)Cc1ccccc1 604007492 NFMKJWNYCCPBKG-UHFFFAOYSA-N 462.553 5.429 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(C(=O)c4ccccc4)CC3)cc2Cl)cc1 604089756 IZOSRDBPBGXAGY-UHFFFAOYSA-N 474.948 5.384 30 20 JKED CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604362224 WYLAPOFWQXPNGU-UHFFFAOYSA-N 494.393 5.104 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1C 604450670 NJNVJJXVRJGLNP-UHFFFAOYSA-N 461.529 5.043 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1Cl 608994893 VTZPYBALSFPBTL-GBXCKJPGSA-N 467.903 5.879 30 20 JKED Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)nc1 609078874 BNFKFPXAPVITPB-QHCPKHFHSA-N 483.572 5.032 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(C(F)(F)F)c1 609088935 HGIKLBKYNNMWFX-MRXNPFEDSA-N 469.410 5.021 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2F)c1 609106786 QTBOLFYPUOWCJS-UHFFFAOYSA-N 459.702 5.945 30 20 JKED C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(F)c(Br)c1 609399354 VEVYCAGRTBTWHF-LLVKDONJSA-N 492.399 5.486 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)c(Cl)c1 609403919 KRGPFUXPDYUIQM-RDTXWAMCSA-N 464.418 5.841 30 20 JKED CCCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1ccccc1Br 609437505 CCVLHBRGZGEYTC-SJORKVTESA-N 488.451 5.782 30 20 JKED O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 613812228 KFAOJLVHQVURJM-UHFFFAOYSA-N 485.350 5.537 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 613997415 YOZMUIMLRHHUGF-DEOSSOPVSA-N 495.737 5.246 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1ccccc1OC 617996434 ROGMQFJAHFNBTO-DLBZAZTESA-N 462.575 5.244 30 20 JKED CCOc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 620288373 NXSXUSMLVGWLOU-AOOOYVTPSA-N 452.317 5.699 30 20 JKED Cc1cc(COc2ccc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc2Br)on1 620847293 LZLUIZRYXUKNEF-GOSISDBHSA-N 462.303 5.363 30 20 JKED Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)CC2 622572111 XIGZNANCJNHNNL-VIFPVBQESA-N 469.332 5.168 30 20 JKED CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)C1 726322745 XBBDZVMRRVVMFW-ZHJILLNJSA-N 453.652 5.072 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3CCC(NC(=O)CC4CCCC4)CC3)n2)cc1 726325609 RRWYHUNLELISOQ-QETWGEEDSA-N 465.619 5.250 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 726393005 LTNZZYIWNVHXIB-HXOBKFHXSA-N 479.577 5.364 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccccn3)C2=O)cc1 726420535 IPJXAVBARMCTNF-SYGSHIDXSA-N 494.642 5.132 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc(C#N)c(Cl)c2)cc1 726570584 GVSDJYDMNTWDGH-UHFFFAOYSA-O 477.997 5.155 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(NC(C)=O)c(SC)c2)[n+]2ccccc2CC)c1 726573212 RCMKSCUEEGLXBA-UHFFFAOYSA-O 488.658 5.521 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(-c3ccccc3)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 726573515 HTWMYJIGQYTNNA-UHFFFAOYSA-O 489.664 7.243 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc1-c1cccc(Cl)c1 726732737 ZIEQWOVNRJFVMI-QGZVFWFLSA-N 452.919 5.109 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 726756136 ZTBQYJBGQKIOGK-UHFFFAOYSA-N 468.582 5.459 30 20 JKED Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1 728111123 ZKNFCKOHSYYUOX-UHFFFAOYSA-N 482.452 5.101 30 20 JKED COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)cc1F 728422611 DHPJUURSAFGVCL-QHCPKHFHSA-N 495.551 5.176 30 20 JKED Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C#N)cc3F)c(Cl)cc2Cl)c1 729862607 CXGYBNXGJWUVCL-UHFFFAOYSA-N 492.359 5.043 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc2)cc1 729891840 NWMBZNUFNLYHDI-ZEQRLZLVSA-N 465.578 5.856 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCc3c(C)noc3C)C2=O)c1 730443363 DFTSYMJWAGJSTI-QHCPKHFHSA-N 494.592 5.250 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@@H](C)c1cccnc1 730944891 HPVWBDCRBVYFIS-YADARESESA-N 488.613 5.429 30 20 JKED N#C[C@H](C(=O)CCCSc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 731136033 KZXLVLVCLKXYKS-OAHLLOKOSA-N 451.773 5.322 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN(C)Cc2cnn(-c3ccccc3)c2)c1=S 732526593 KHFNUMQOQUIOEO-UHFFFAOYSA-N 481.025 5.108 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(C3CCN(C4CC4)CC3)C2=O)cc1 743524081 GEOCIIRQWCGFMU-XMMPIXPASA-N 494.636 5.030 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccc(SC)c(OC)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 746512316 OTBDRJNWMOLKDO-NRFANRHFSA-N 491.535 5.601 30 20 JKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc(OC)c(OCCCC#N)c3)c12 747361271 JQMRXTQODNUXRN-QBFSEMIESA-N 454.530 5.371 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cscn2)C1=O)Nc1ccccc1F 747601061 CYTWUQYCVZSXHC-QFIPXVFZSA-N 490.585 5.596 30 20 JKED COc1ccc(N2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4OC)cc3)CC2)cc1 750704646 HTVOUSXRTCGJGH-UHFFFAOYSA-N 472.545 5.112 30 20 JKED C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)cc1OC 751201014 YJSZWTWDXPADHN-YRNVUSSQSA-N 453.589 5.531 30 20 JKED Cn1c(COc2ccccc2Cl)nnc1SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 803291264 KYAVSJPSEIDREX-INIZCTEOSA-N 496.017 5.140 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2cccs2)C1=O 837299819 NSVAXKMESJFUIW-NRFANRHFSA-N 465.600 5.226 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2C)C1=O 837300671 BBEGDFUHRJPDQT-QHCPKHFHSA-N 477.561 5.303 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1Cl 878608704 AHFGLNGSOBGAMM-UHFFFAOYSA-N 475.932 5.004 30 20 JKED C=CCn1c(SCc2nc(Cc3cccnc3)no2)nnc1-c1ccc(Cl)cc1Cl 904677292 IBZISIMBQFTBNO-UHFFFAOYSA-N 459.362 5.099 30 20 JKED Cc1cc(S[C@H](C)C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)n2c(nc3ccccc32)c1C#N 913257673 IDBYCUKHBLRNLF-LSDHHAIUSA-N 463.563 5.133 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2sccc2C)C1=O 914540696 BPDNBDIFPUIEBO-OAQYLSRUSA-N 479.627 5.534 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@@H](C)Cc2cccs2)C1=O 914692395 XJQCMTYLPREXLT-KSFYIVLOSA-N 497.617 5.487 30 20 JKED Cc1cccc2c(=O)n(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cnc12 915102867 JSAYXXCLNXVOMG-MRXNPFEDSA-N 469.353 5.012 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 915577160 MMPDBDNEVSYIST-OAHLLOKOSA-N 453.564 5.045 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccccc1Br 916206479 ZCYMMYFWJZFUEJ-HXUWFJFHSA-N 495.402 5.005 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1ccccn1 916207477 ZOHZGXMSJYJBPW-JOCHJYFZSA-N 496.995 5.386 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 916902827 IEXMCZBVRNTHOS-DEOSSOPVSA-N 460.961 6.005 30 20 JKED N#C[C@H](C(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1nc(-c2ccc(Cl)cc2)cs1 916976942 YAMAJOZKPGTIRO-DRMXPCRNSA-N 498.004 5.370 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996103 GHTAWDONBCZTCS-DYVFJYSZSA-N 462.402 5.474 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1cc(Cl)c2c(c1)OCCO2 917026927 SSSJPFYMTMQVGG-UHFFFAOYSA-N 472.353 5.394 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)CC1=O 917040254 IXJYNIOCIYWIRI-LZLYRXPVSA-N 450.489 5.174 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 917427608 ZMEFMJJGXJZHCO-QGZVFWFLSA-N 459.493 5.927 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C(C)(C)C)cc2)cc1 917612634 AUZRTPDZXCRXAH-UHFFFAOYSA-O 456.635 6.419 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1cc(Cl)cc(Cl)c1 917695422 NAKXMNJGAGUIES-HXUWFJFHSA-N 494.444 5.188 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 917699952 FVLHXQATTFSDDJ-FQEVSTJZSA-N 487.503 5.006 30 20 JKED Cc1ccc(C(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1NC(=O)c1ccccc1F 920105932 NVCCLNNYTQRMOY-HXUWFJFHSA-N 453.473 5.382 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 920113960 VSZBMNGTLLKEJE-WANXVWFGSA-N 479.671 5.082 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3cc(C(F)(F)F)ccc3Cl)n2)cc1 920140461 COWUTZCEEGNWFO-CTEOGUNLSA-N 457.864 6.244 30 20 JKED N#C[C@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1 920323735 FYSGIBRVURIVSB-UTBXUIOKSA-N 477.608 5.355 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 920356457 PKELBKYOAZCYID-BBVWWWHTSA-N 491.657 5.017 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 920456946 JZYVSXMZEQLYEF-QFIPXVFZSA-N 481.508 5.457 30 20 JKED CCCCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1F 921252436 FCUASFSRELODMX-HXUWFJFHSA-N 497.514 5.020 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2 1779275714 YFZLOAOAVQPITF-YCVRVPNXSA-N 472.629 5.250 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1786678166 HHZPBTIJNXCSCM-LLZJGCNPSA-N 475.658 5.418 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 1789154822 SQUFGJXSACRFEB-PIUCHZKOSA-N 479.024 5.049 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4c(Cl)cccn34)CCC2)cc1 1789451198 AIQLLLLFQPLOSD-FQEVSTJZSA-N 462.981 5.504 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(N4N=C(C)CC4=O)cc3)CCC2)cc1 1789455783 CWTCHPIVBZHRLT-RUZDIDTESA-N 484.600 5.315 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccccn3)CCC2)cc1 1789507437 BCIXKLHCBFATMG-UHFFFAOYSA-N 461.682 5.199 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cncc4cnccc34)CCC2)cc1 1789508186 VBLPTPCHXFNURB-UHFFFAOYSA-N 484.676 5.429 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)c(Cl)c3)CCC2)cc1 1789576866 MCMXKUGRANOAGN-XODNFHPESA-N 488.346 5.592 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)CC[C@H]3CCOC3)CCC2)cc1)c1ccccc1 1789600516 HTCUFBIAWBMHRI-BKMJKUGQSA-N 458.602 5.134 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)C4CCC(C(F)(F)F)CC4)CCC3)cc2)c1 1790146530 VNXAPPNQEDYKDP-UHFFFAOYSA-N 458.484 5.003 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)ccc3OCC)cc2)CCC1 1790693073 SMHWZNBMERCRPI-QFIPXVFZSA-N 470.997 5.060 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C(F)(F)c4ccco4)cc3)CCC2)cc1C#N 1791080415 KCDRJEGMIYMVNN-UHFFFAOYSA-N 493.510 5.478 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ncc3Cl)CCC2)cc1 1791728745 DBOAVNCYKOTUPW-UHFFFAOYSA-N 488.813 5.439 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccn5c4)CCC3)cc2)c1 1792123569 JSZBDJMNJJQYNH-SFHVURJKSA-N 468.582 5.689 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc5c(O)cccc45)CCC3)cc2)c1 1792126237 CDPLQYGGMZETEM-LJQANCHMSA-N 490.563 5.629 30 20 JKED C[C@@H](Cc1ccncc1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126297 DMJZPSRHZFPTEO-SFTDATJTSA-N 466.585 5.335 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CCC2)cc1 1792264228 HUPHXHYDLVWTGX-UHFFFAOYSA-N 480.490 5.052 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc2ncccc12)c1ccc(C#Cc2ccccc2)cc1 1797320414 DFLJYQMCDLXUQB-LGKQTMLJSA-N 485.587 5.200 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)ccc1Br 1797875929 VPSUFIFWVCQPQF-WABZUUDDSA-N 498.465 5.179 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1797918654 YWUNFTJPOAULPN-AYEHBTSNSA-N 496.598 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OC(F)F)c(OC(F)F)c1)C2 1798592376 NODIYAGUGJTVEH-BJWYYQGGSA-N 486.506 5.134 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)C3)c(Cl)c1 1800691190 XZEKYAKSVMNMQQ-REPLKXPHSA-N 490.818 5.403 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ncc(Cl)cc2Cl)[C@H]1c1cccnc1 1802493225 UNFQRGXQNCJCFF-UTKZUKDTSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1802501093 SKDZODHMYXRPLZ-UGKGYDQZSA-N 457.977 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCCCC(=O)OC 1804451314 ZXHYMXBHRHWPEK-NDBXHCKUSA-N 474.686 5.467 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)C(C)(C)Oc2ccc3ccccc3c2)[C@@H]1c1cccnc1 1807480375 SRXWCMBITUUVAG-UHSQPCAPSA-N 497.639 5.292 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)c3scnc3C3CC3)C2)CC1)c1ccccc1 1807834880 YZSDCNRYNUKVDY-QHCPKHFHSA-N 475.658 5.063 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)c3cc(C)oc3C(F)(F)F)C2)CC1 1808401100 WGDQHCCYSAMARH-UHFFFAOYSA-N 454.533 5.444 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)CC1 1808876170 JIBZNAMGSPDFOK-UHSQPCAPSA-N 486.660 5.198 30 20 JKED CC1(C)CCC(CC(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)CC1 1808889109 LISFUJMMUTUZPP-LBNVMWSVSA-N 495.784 5.745 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1810177467 GPHKQYALPYVVIE-QCDWPYODSA-N 482.628 5.359 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1810179187 ZKUOFAJYGILIFW-NOXFTYBFSA-N 489.513 5.328 30 20 JKED Cc1scc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1C 1810275300 UAEAQOHQKSZLKA-DHLKQENFSA-N 481.738 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810498743 PTMOELSUWPFDOJ-HKHATACASA-N 477.674 5.694 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)C3)[C@H]1c1cccnc1 1810500561 STPHYQXNROZIJM-UPVQGACJSA-N 475.633 5.107 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810504078 WMLYVSMBGAUAFD-RRPNLBNLSA-N 482.628 5.456 30 20 JKED CC[C@H](C)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811244940 QFMVUJRMGVQNTF-KNHXXRFOSA-N 479.624 5.237 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccccc3CSc3ccccc3)[C@@H]2c2cccnc2)C1 1811689235 IOPMMZQIXJKINU-LXFBAYGMSA-N 497.664 5.660 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3c(Cl)cccc3Cl)[C@@H]2c2cccnc2)cc1 1811716242 OVXZYMWBNWWVGM-RDPSFJRHSA-N 493.394 5.088 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814373043 IEZVKMMSYCWCDN-GOSISDBHSA-N 461.900 5.062 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccc(C)c4ccccc34)[nH]n2)C1 1814398045 IMJWVKYTHDPQLC-RUZDIDTESA-N 456.590 5.462 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(OC)cc(C(F)(F)F)c2)[nH]n1 1814828318 GHARZVNGMHMCIP-OAQYLSRUSA-N 490.526 5.511 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2scnc2C(F)(F)F)n[nH]1 1816629344 MGZIXZKDBQTRQS-CQSZACIVSA-N 469.533 5.183 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(F)(F)F)c[nH]2)n[nH]1)c1ccccc1 1818208208 WPXOLYMAYHTVND-UGKGYDQZSA-N 497.521 5.260 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1819308826 DWRGPLATJMQTLH-LAUBAEHRSA-N 488.991 5.675 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(-c3cnco3)c2)[nH]n1 1819309614 YNYBXXVNCKYGMP-IRLDBZIGSA-N 459.550 5.139 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCCCC2(F)F)[nH]n1 1819384610 UKJLJYNWHNNZSA-AZUAARDMSA-N 478.660 5.278 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccncc1-c1ccccc1)CC2 1819601287 FSXVPYMDGQGORK-PMACEKPBSA-N 472.614 5.199 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c1Cl 1820220851 DPFYDMNEQMTVFF-LJQANCHMSA-N 486.334 5.347 30 20 JKED CCSc1cccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)[nH]n1 1820399024 WUMVPDMSKVXDHN-GOSISDBHSA-N 495.008 5.061 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3cc4ccccc4o3)[nH]n2)c1 1820485070 NPTFXSNUTDREBL-RGPPVUSESA-N 465.513 5.047 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccncc34)[nH]n2)c(Cl)c1 1821277320 VALDOEQOQMXJPX-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](C#CC)c2ccc(O)cc2)n[nH]1 1822466871 DKWVHWSATYLBEQ-PWWKTKHKSA-N 474.605 5.073 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3CCc4ccccc43)n[nH]2)c1 1822525430 FULYROPDUAKVIL-MQVPCNEGSA-N 467.573 5.073 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C)CCCC2)CC1)NC(=O)OC(C)(C)C 1823848394 GZZLPIYYVCXDSD-XZOQPEGZSA-N 489.701 5.046 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824989625 ZRNHVBCEDOVWHT-GBXCKJPGSA-N 461.046 5.331 30 20 JKED CCCC[C@H](CC)COC(=O)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC#N)CC2)cc1 1826320606 DLYOBHWXSAEURP-BKMJKUGQSA-N 495.664 5.207 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2Cl)CC1)c1cccs1 1826472634 HUFRWJQLICLRKP-NELJVSICSA-N 485.049 5.003 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ccccc34)CC2)c1 1827167726 CPWDWSNBKNZCSK-LJAQVGFWSA-N 496.655 5.225 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1 1827411259 BRZHPUMFUXMLHI-JPYJTQIMSA-N 475.614 5.668 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3ccoc3c2)CC1)c1cccs1 1827683853 LXTUGDMOUUEXFN-HYGBKTPJSA-N 476.598 5.167 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnnc3ccccc23)CC1)c1ccccc1 1828114035 VJZNOSVZVRMKLL-VAVYLYDRSA-N 494.639 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(N(C)C)cc2)CC1 1828829490 ILCLJLBVPWRJLD-SXOMAYOGSA-N 465.682 5.073 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccc(Cl)cn3c2C)CC1 1828829898 JUNOKABFNWXXEI-XZOQPEGZSA-N 483.056 5.298 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cc3cccnc3cc2F)CC1 1829068774 PQHITTJXLNWDDD-AREMUKBSSA-N 479.640 5.529 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(Br)c2)CC1 1829172805 ZIKVSTCNYFFXRH-HXUWFJFHSA-N 476.459 5.070 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CC2)CCC1 1829588756 DADVXWRHHMUACI-SANMLTNESA-N 495.627 5.157 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1829647836 UHYGNQDGJYNVLG-SANMLTNESA-N 479.665 5.161 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)c1 1829954657 IZDNEQDRUMZARU-TWJOJJKGSA-N 476.020 5.249 30 20 JKED Cc1ccc2nc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4)CC3)sc2c1 1829955418 RRSFCVJPPILLLF-QHCPKHFHSA-N 472.614 5.024 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)cc1 1830011688 CLLKGQJOAMXTHY-SANMLTNESA-N 494.035 5.304 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)c1 1830764924 AFVWWVOBPIDBOW-HFZDXXHNSA-N 475.658 5.281 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1830782674 BCRFCNYEJIRPRR-QHCPKHFHSA-N 493.475 5.817 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 1831367685 MJWLVAXCONXNHM-IIBYNOLFSA-N 465.407 5.034 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 1831476419 WPYGIPLBNAXFDN-JARJBNJMSA-N 467.053 5.138 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3Cl)CC2)c1 1832634246 SBBSHMBADHANBO-UQBPGWFLSA-N 464.009 5.514 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832720132 ZXTKPGVRJIEASF-FQEVSTJZSA-N 469.840 5.684 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1 1832828603 MRPCFTGGPDXMHR-DEOSSOPVSA-N 499.493 5.294 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1836696637 MUYWJJALTHKYRI-CLJLJLNGSA-N 485.068 5.211 30 20 JKED CC#CC[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc4occc4c3)CC2)CC1)c1ccccc1 1838244076 OZUUHUZQNZWQGO-NDEPHWFRSA-N 498.623 5.242 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1)C2 1844202773 ZTNDMPPRJFETSP-NZQKXSOJSA-N 481.637 5.109 30 20 JKED O=C(c1cccc(C(F)(F)F)c1F)N1CCCC12CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C2 1845347729 SXRPKKNVTSIHNH-HDJSIYSDSA-N 480.424 5.030 30 20 JKED COc1ccc(-c2nc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)cs2)cc1 11250556 YHKMMYXPMCWHKB-UHFFFAOYSA-N 478.574 5.019 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)nnc1-c1ccccc1 17672327 DYJRAGOUWPAYJX-HSZRJFAPSA-N 460.628 5.499 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3SCC#N)n2Cc2ccco2)c1 22046712 ONSMNXAKXYPRQL-UHFFFAOYSA-N 475.599 5.241 30 20 JKED COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 23341365 PQQGALNKKNDLKC-KRWDZBQOSA-N 467.620 5.335 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc2sc3c(c2c1=O)CCCC3 23404805 PUONNOINCMHJNZ-CYBMUJFWSA-N 496.683 5.064 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)c1 24731033 SYSRLNJIPKPWSL-UHFFFAOYSA-N 463.950 5.151 30 20 JKED Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 27781513 LWCKBPURIZBLLP-LBPRGKRZSA-N 471.991 5.378 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)/C(O)=N/c1nnc(-c2ccccc2)s1 28282715 PITQSNBXQYAJFW-UHFFFAOYSA-N 471.464 5.497 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 28793791 UMXMRYXTJHQVMG-UHFFFAOYSA-O 466.602 5.573 30 20 JKED N#Cc1c(NC(=O)CSc2nc(-c3ccccc3Br)n[nH]2)sc2c1CCCCC2 28806497 BQIWHMKSBBOGGJ-UHFFFAOYSA-N 488.436 5.167 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc2C)cc1 29488820 ILPKQYRUUWQORV-UHFFFAOYSA-N 497.576 5.595 30 20 JKED C[C@@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)N(CCC#N)c1ccccc1 31692976 XHPMPJIWYXLQHO-CQSZACIVSA-N 488.436 5.472 30 20 JKED Cc1cc(CSc2ncccc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)no1 107648884 QEXOWILCHNMDRN-QFIPXVFZSA-N 474.973 6.232 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(COc5ccccc5C#N)o4)CC3)c2c1 108870158 DOVCHGPJLHGIKQ-UHFFFAOYSA-N 455.514 5.240 30 20 JKED COc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccc(C)cc4)csc3n2)ccc1OCC#N 206099442 GUSPDHKBCSRPNR-WOJGMQOQSA-N 463.946 6.020 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)s2)cc1 247641468 HNPFGYFWQZYBIG-UHFFFAOYSA-N 462.581 5.575 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)c1 252506436 SXAFCKCNEVUMGM-JOCHJYFZSA-N 492.988 5.087 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 303028092 WJIBYZDXPNNOTR-RUZDIDTESA-N 456.615 5.117 30 20 JKED O=C(Nc1ccc(Cl)c(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 500285469 XNUWWEBDCMRPLO-UHFFFAOYSA-N 451.729 5.955 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 503284918 QOMLNKIOIIIWNH-UHFFFAOYSA-N 478.537 5.616 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 503696744 FKMVKTFYYGAODQ-SANMLTNESA-N 496.611 5.810 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCCOc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 504725659 ZVJJGNNIKMZINQ-IBGZPJMESA-N 489.428 5.560 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1 505692524 VYRUVJICXYHJNM-UHFFFAOYSA-N 497.408 5.350 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 505703618 SOZVQBIHZWNBAY-UHFFFAOYSA-N 487.390 5.461 30 20 JKED C=CCN(C(=O)c1ccc(N(CC)CCC)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 508777823 JVHRAVSGDHENJT-UHFFFAOYSA-N 483.659 5.283 30 20 JKED CCOc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 509616622 HEQWGVKDXOQDRN-SFHVURJKSA-N 489.528 5.161 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509849777 FCELAWAFCQVBLO-SFHVURJKSA-N 456.571 6.166 30 20 JKED Cn1ccnc1[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(Cl)cc1 510488464 FVGREEPURPHOMQ-HSZRJFAPSA-N 457.921 5.649 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cc1 510535254 UPKHHYITVHYNIJ-QFIPXVFZSA-N 460.622 5.197 30 20 JKED C[C@H](SCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc2ccccc2[nH]1 512314687 OMLDGCDLBPQEOK-SFHVURJKSA-N 458.562 5.597 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl 514487319 ULSKAYMKNSNFBE-UHFFFAOYSA-N 492.388 5.097 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1Cl 514574945 LGNHAXDQTGUWDP-QFIPXVFZSA-N 474.923 6.146 30 20 JKED C=CCN(Cc1cccs1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 515161030 ZATCJNZEHDVXKX-UHFFFAOYSA-N 469.404 5.520 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 516733576 RGELQXRAMHEHSR-INIZCTEOSA-N 478.346 5.237 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)O[C@H](C)C2 517388928 MARGTWBRQSJZPS-RZTXVSJASA-N 484.600 5.089 30 20 JKED COc1ccc(/C=C(/CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)cc1OCCCC#N 517401938 QHGVZSSYUJHTAV-GDNBJRDFSA-N 476.476 6.022 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 518743301 WCBDIPJOMCNOHH-RTBURBONSA-N 479.627 5.373 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 519162258 WYZHSFXLHYIMFE-OAQYLSRUSA-N 457.877 5.342 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 519432878 FHPQOEZMMJZIPC-UHFFFAOYSA-N 477.537 5.331 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cn1 520470146 JGCWKEXWHKOBPS-UHFFFAOYSA-N 498.499 5.129 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 523632320 HUUIOERDKUARAT-UHFFFAOYSA-N 494.551 5.185 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)COc1ccc(F)cc1F 524440318 HFEXPMYQDCBVIW-KRWDZBQOSA-N 451.473 5.313 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1ccccc1OC(F)F 524440939 IUWSNRFMONLSLF-KRWDZBQOSA-N 451.473 5.930 30 20 JKED N#Cc1c(SCc2nnc(-c3ccc(Br)o3)o2)nc2c(c1-c1ccco1)CCC2 557516445 UVIQZDSUVVBYNC-UHFFFAOYSA-N 469.320 5.400 30 20 JKED C=CCc1ccc(OC[C@@H](O)CSc2nc(O)c3c(-c4ccc(F)cc4)csc3n2)c(OC)c1 588765632 BJLPQOKDCGZWQF-GOSISDBHSA-N 498.601 5.472 30 20 JKED CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 603831200 VXAUBHVBDSPYFH-SANMLTNESA-N 498.583 5.726 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)c2)c1 603831468 BAKUNNSGVCLGPD-XMMPIXPASA-N 470.529 5.922 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c2)cc1 603921221 QGJLEAYFNRNOKP-UHFFFAOYSA-N 497.576 5.385 30 20 JKED COC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S[C@@H](C#N)Cc3ccccc3)nc2c1 604076313 QASQNZNBFDYBAM-HXUWFJFHSA-N 489.984 5.112 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1ccccc1 604547675 CBGWBXFHHTXDOU-MRXNPFEDSA-N 474.615 5.642 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 608995072 ZLILQRPYMAXHMX-RUZDIDTESA-N 487.003 5.730 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609073661 QBYJCRHDELHRSB-OAHLLOKOSA-N 468.340 5.201 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(Oc4ccc(F)cc4F)CC3)cc2Cl)c1 609079652 FYLPWKBHAWBOMZ-UHFFFAOYSA-N 497.929 6.144 30 20 JKED C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609200285 RMPDOQXDLXSOMM-QRQCRPRQSA-N 486.435 5.357 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1ccccc1Cl)c1nc2ccccc2n1C(F)F 613401804 OEJGALGUOKKMAZ-QGZVFWFLSA-N 451.860 6.154 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(C(=O)CC)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 614509770 ZHWOJNMTFPFNIX-QHCPKHFHSA-N 459.615 5.645 30 20 JKED O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542085 QMTFRXGWPSYUJL-VXGBXAGGSA-N 451.342 5.608 30 20 JKED O=C(c1cnccc1C(F)(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517393 HVQMQHJZPAJCSB-OAHLLOKOSA-N 472.307 5.352 30 20 JKED CCOc1ccc(N2C(=O)c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)cc1 642281546 IODXSYFKZJBORG-QHCPKHFHSA-N 493.544 5.499 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1[C@@H]1COc2ccccc2O1 645079270 NYMOWDDCDSOZDC-JTSKRJEESA-N 464.591 5.221 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)Cc2cccs2)cn1 726116765 KFYNAFBNXGMGNB-XMSQKQJNSA-N 495.674 5.173 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1 726300865 UHHPDIZTUJYLHV-MHZLTWQESA-N 461.521 5.389 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCCC2)cc1Cl 726406711 LWYYANPZNNLPSG-FQEVSTJZSA-N 452.967 5.115 30 20 JKED Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(C(C)C)cc1 726571275 QMNSMMGXIBTYOB-UHFFFAOYSA-O 464.998 5.960 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726698003 VQKLGMDPHHIMPK-UHFFFAOYSA-N 492.526 6.051 30 20 JKED O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 727974712 MWZLXQIKMVXCJW-AATRIKPKSA-N 450.507 5.623 30 20 JKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C\c1nc(-c2ccccc2)cs1)C(=O)c1ccccc1 727975342 DFISZFIVQOZJDJ-PGMHBOJBSA-N 468.534 5.486 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccccc1-c1ccccc1 728109483 RGIZICXYDRLSMH-IBGZPJMESA-N 466.493 5.581 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1-c1ccc(Br)cc1 728704807 MPCZXGWJVXSFNG-UHFFFAOYSA-N 494.776 5.580 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 728775887 DZQMULJEQXDROO-IBGZPJMESA-N 474.508 5.360 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CCCCC#N)C1=O 728776496 CEPXHKSVWGNPCK-FQEVSTJZSA-N 498.992 5.001 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4nc5ccccc5s4)nc4ccccc34)CC2)c1 729540160 SEYJJGPSHUVBHZ-UHFFFAOYSA-N 490.588 6.067 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2cccc(C)c2)c1 729670084 LLLUQGOSYBFKIG-UHFFFAOYSA-O 471.558 5.380 30 20 JKED CCOc1ccc(OCC)c(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2C2CCC2)c1 730462274 MBHSLDLFZGNZMP-HSZRJFAPSA-N 497.617 5.005 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 730493404 HUTIUOCBDZYPAB-QFIPXVFZSA-N 496.350 5.006 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1)c1ccc2ccccc2n1 730685465 GIIRMUVXTCESLM-KBMIEXCESA-N 475.317 6.133 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)O[C@H](C)C2 730686481 GQVWZTXDFQHDBC-LUKPVDIQSA-N 473.356 5.167 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3cocn3)C2=O)cc1 730724197 LJKNGSRQAJPITM-XMMPIXPASA-N 498.564 5.191 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCCOC2CCCC2)c1 731311843 FPFAJDWFFLRORI-QHCPKHFHSA-N 499.608 5.149 30 20 JKED CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 744999363 PEQJSXQTVRHQBH-UHFFFAOYSA-N 484.585 5.050 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 748004473 XNBVDILRKBYVBW-HSZRJFAPSA-N 488.565 5.156 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)O[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 748491481 SXQQYPGKGMPDTJ-QHCPKHFHSA-N 453.947 5.364 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C(=C\c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)c1 749147157 CSAORBLRQVOZFR-ONUIUJJFSA-N 487.962 5.769 30 20 JKED N#CC1(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)CCCCC1 791769128 OYTUKJWGHCYAQX-SDXDJHTJSA-N 471.582 5.283 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(CC(F)(F)F)C1=O)Nc1ccccc1F 799209661 AMANWNRQBYEBOL-IBGZPJMESA-N 475.467 5.502 30 20 JKED C#CCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(F)c(Cl)c1 799213958 BIDSOPKZWVOMDC-KRWDZBQOSA-N 497.951 5.387 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@H](C)c3ccccn3)C2=O)c1 837406240 WRJKZZNJVUBHHR-DVECYGJZSA-N 488.613 5.429 30 20 JKED C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)cc1OC 857838316 LLIHTWXIFWABDY-KRWDZBQOSA-N 461.539 5.635 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 877084955 ILIALWJRCHKEEN-DHLKQENFSA-N 488.613 5.487 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)cc(C)c1 914545705 GPUPKPHFDSQXKY-QFIPXVFZSA-N 492.576 5.007 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1 915750520 RBIVYMFYGCLNPJ-GGXMVOPNSA-N 485.543 5.933 30 20 JKED COc1ccc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC(F)F 916128206 UICSLQHPNMVQAT-QPEQYQDCSA-N 453.441 5.210 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1Cl 916137564 MFCDFVLUHYBKDP-LUAWRHEFSA-N 456.325 5.916 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cccc(C)c1C 916208250 XOGLVKIVYPLCKC-IBGZPJMESA-N 472.954 5.011 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cccc(Cl)c1 916215774 YXVKAXRVSOBAND-KRWDZBQOSA-N 479.345 5.048 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 916884282 WCXVCNNCDCSLNU-FQEVSTJZSA-N 496.748 5.316 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cc1sc(C)nc1-c1cccs1 916901501 JLOQHSGUKRPTKK-CYBMUJFWSA-N 459.980 5.041 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2cccc(Br)c2)o1 916910192 GBDWXJNQWQYWFC-MRXNPFEDSA-N 473.710 5.236 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)cc1 916911981 FHJQTIQKEKBPAH-NRFANRHFSA-N 491.389 5.037 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 916913469 QXWQCPKCCWKKIF-FQEVSTJZSA-N 467.319 5.145 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 916913471 QXWQCPKCCWKKIF-HXUWFJFHSA-N 467.319 5.145 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 916932622 ZYOZBYAKUHHVAT-AUSIDOKSSA-N 477.351 5.648 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1OC 916934994 LDGJWWNHALUBNM-INIZCTEOSA-N 489.475 5.116 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccc(C)c1 916976912 WQZNNCRBQPGLFL-LJQANCHMSA-N 494.045 6.019 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C/c2csc(-c3cccc(Br)c3)n2)cc1 917517550 HQEYQDLRBNCVGP-JXMROGBWSA-N 480.387 5.781 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(F)c(OC)c(F)c2)ccc1Cl 917844904 GKBZWTPNMCVIQA-UHFFFAOYSA-N 492.931 5.260 30 20 JKED CC(C)Oc1cccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 918409181 HMGJNRCXORMYIL-HSZRJFAPSA-N 461.949 5.038 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 918592448 AIOSTKHJRRXYRP-UHFFFAOYSA-N 453.926 5.277 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2ccccc2)cs1 920363380 XVBGARAYSBKBOY-UHFFFAOYSA-N 463.510 5.167 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)cc1 920806877 RUOKAXMSAFYPPP-ROUUACIJSA-N 465.525 5.125 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1 920819490 PZIKVVNEGOUVMI-CJFMBICVSA-N 459.958 5.563 30 20 JKED CCSc1ncccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(OC)c3)CCC2)cc1 1785780189 OGTMEEAUQDZJMM-UHFFFAOYSA-N 486.597 5.135 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1786370995 HVBDDUDBTKKMFL-NLSFWIRASA-N 452.982 5.169 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(C)snc4s3)CCC2)cc1 1786372609 ZYUHDQUSQUUGBY-AWEZNQCLSA-N 455.605 5.005 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(F)cc3F)cc2)CCC1 1786589578 BKCNLAZQXPJJQZ-NTUHNPAUSA-N 454.517 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnn(C)c3C(F)(F)F)cc2)CCC1 1787019350 DQXODFNQZBVECM-UHFFFAOYSA-N 462.516 5.179 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c(C(C)(C)C)c4)cc3)CCC2)c1 1787042118 OOJYQCPLTIZGFW-UHFFFAOYSA-N 470.573 5.254 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)nc4)cc3)CCC2)cc1 1787426604 GHLIWTISZLWZAU-UHFFFAOYSA-N 464.447 5.034 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1 1787658846 YFCLAXNYQKBQRQ-JOCHJYFZSA-N 483.653 5.254 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951697 RMYZFDLGCYAEIR-XWGVYQGASA-N 456.590 5.048 30 20 JKED O=C(/C=N/O[C@@H]1CCCCO1)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982473 KEZLHXRNVCCVMQ-KSWAXPHNSA-N 494.979 5.098 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cc2)CCC1 1789224612 OFCXGSHJNACAHM-MRXNPFEDSA-N 496.405 5.269 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)cc2)CCC1 1789529389 GTVLMZCZJGEVRU-PCCBWWKXSA-N 454.542 5.220 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cc[nH]c5cc4F)cc3)CCC2)c1 1790071613 QAZFKYRNRBFYFS-UHFFFAOYSA-N 452.489 5.240 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)C[C@H]3C)cc2)CCC1 1790425509 JTCAEECDAZNWAT-JDITYXQVSA-N 469.626 5.026 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(O)c(F)c4)cc3)CCC2)c1 1790653817 SETJYQCNESYTAQ-QGZVFWFLSA-N 457.505 5.220 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)CCCc3cc(OC)ccc3OC)CCC2)cc1)C(F)(F)F 1791304860 PBCGODLVTDAWDZ-UHFFFAOYSA-N 490.522 5.279 30 20 JKED CC#CC[C@@H](C(=O)NC1(c2ccc(NC(=O)CC[C@H]3CCOC3)cc2)CCC1)c1ccccc1 1792021972 CMRPWJYLZCXPIU-BKMJKUGQSA-N 458.602 5.134 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)cc(Br)c1)C2 1793053537 XVFAYHAGMASPEA-ACDBMABISA-N 465.819 5.123 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1CSc1ccccc1)C2 1794075380 JPUBDKLEHWVBES-KOUNCHBCSA-N 466.672 5.150 30 20 JKED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)c1 1801080638 HPCBFPQHXWTURK-ACDBMABISA-N 482.515 5.004 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc3c2oc2ccccc23)c1 1801203812 YLDUXUIJSGDELQ-KOUNCHBCSA-N 463.537 5.332 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([C@@H](C)C(F)(F)F)cc1 1801455818 XOICFTFYAUSWIM-OCYFJXFZSA-N 462.556 5.302 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)[C@@H]1c1cccnc1 1803086890 PALNOCMNNXTPMG-JROWUHHQSA-N 498.627 5.059 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccccc2Br)C3)c1 1803682461 BZKHWSPGVYIRAA-SHQMMLCYSA-N 492.417 5.041 30 20 JKED Cc1nc2cc(C(=O)N3CCC4(CCCN(C(=O)C#Cc5ccc(Cl)cc5)C4)CC3)ccc2s1 1805333503 UYPLCTWRLMDSAI-UHFFFAOYSA-N 492.044 5.155 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1810271431 GDVKMLYUAWRWMT-FRADWQLESA-N 491.708 5.143 30 20 JKED Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1Cl 1810277460 QGMBQSKGGUGRJJ-NVQXNPDNSA-N 496.127 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)[C@H]1c1cccnc1 1810494814 HGVXDOQCQSJMTP-AMGIVPHBSA-N 472.633 5.112 30 20 JKED Cc1ccc2cc(C(=O)NC[C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)[C@H]3c3cccnc3)sc2c1 1812218818 CHSVCHFTBXQVOW-CUBQBAPOSA-N 494.620 5.039 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@@H]2c2cccnc2)c1 1813838321 DELBAMRRFGQQOB-FRPAHBMMSA-N 487.003 5.304 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)c(F)c(Cl)c2)[C@H]1c1cccnc1 1813943340 JLCVYJDECZDYKL-VGOFRKELSA-N 475.967 5.325 30 20 JKED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccc(Cl)cc1 1814657593 GVIGDZQCZNIHTL-UUEFOYDDSA-N 497.020 5.360 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC)c(OC)c2Cl)[nH]n1 1814824182 OEZHXWUDDIIDOI-LJQANCHMSA-N 487.000 5.155 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(F)cc2F)[nH]n1 1814824568 YOSNVLJUSJVAGH-SDNYCIMKSA-N 454.521 5.162 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1815208666 IIUWAKNWGDPZRZ-HYVJGQCMSA-N 473.017 5.086 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4cnccc34)n[nH]2)c1 1819129903 QXDCNKMYOSBRBN-CJAUYULYSA-N 478.556 5.205 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1819368222 JVLOHLMTRNPQHE-FUPPJEDESA-N 487.044 5.068 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC)c(OCC3CC3)c2)n[nH]1 1821233108 BNCKPBBRYXHENL-GMAHTHKFSA-N 492.620 5.281 30 20 JKED CC(C)C1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CCC1 1821242762 NBCVOPRRKYEFBS-HXUWFJFHSA-N 498.425 5.176 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821272694 NDLVOJPVXFJPPR-OAQYLSRUSA-N 495.942 5.092 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4ccccc4o3)[nH]n2)c(Cl)c1 1821277910 MIXONWCDHWOWIU-FQEVSTJZSA-N 473.920 5.301 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)ccc(Br)c2C)n[nH]1 1821334036 ZTTTVRXVGCSMFK-INIZCTEOSA-N 499.331 5.137 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)S)[nH]n2)cc1Cl 1821338805 AFHHPFDHUQUNLV-PXAZEXFGSA-N 485.437 5.128 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n[nH]1 1821856572 DCEYZGXPRBWBIB-NZQKXSOJSA-N 475.058 5.414 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)[nH]n1 1821926846 XMYLIYFSOICPMK-AVRDEDQJSA-N 485.028 5.016 30 20 JKED COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823210295 BUXAYJGOMCWNMB-OCBMDVHSSA-N 497.599 5.155 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 1824143216 IGXZYXQSHJNUMB-XMMPIXPASA-N 468.638 5.014 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2noc(-c3ccccc3)n2)CC1 1824143611 OEWOJSIXUCTXKC-RUZDIDTESA-N 490.648 5.057 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 1824143652 PQOMNURFAXNUHJ-VWLOTQADSA-N 461.606 5.343 30 20 JKED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1824247607 XSVMJSGQOWZCES-KPKQQJEISA-N 499.095 5.272 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1824513208 WEMXQRBJQHGYCK-UTKZUKDTSA-N 467.437 5.126 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1824884454 VHUZHVLYULXDDL-SIBVEZHUSA-N 496.026 5.582 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)CC1 1827276426 LCTIRDHIZOGTPC-QFIPXVFZSA-N 451.611 5.362 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)CC2)c1 1827762327 OSULWTQQSOGRJT-MUUNZHRXSA-N 496.586 5.306 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(F)CCCCC3(F)F)CC2)c1 1828415192 MLXNVCTUEYXTKN-ZEQKJWHPSA-N 489.582 5.028 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1828502398 MSGJJZAGPYHJQT-SBUREZEXSA-N 486.454 5.376 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C(=O)OCC)c2F)CC1 1828826526 GLEJZODUQBVSNW-QPPBQGQZSA-N 484.612 5.004 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(c2)COC3)CC1)c1ccccc1 1829031962 HREUKXBPTWGESB-WDYNHAJCSA-N 484.640 5.147 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)CC1 1829420473 CKYCNJVPSPKVFS-IBGZPJMESA-N 469.573 5.164 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829582196 MEEWJXJXJGYVOI-SIKLNZKXSA-N 494.661 5.188 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1829938791 DAJJRVWADWYVBW-XMMPIXPASA-N 483.534 5.319 30 20 JKED COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)ccc1C 1830068523 ITAJUXZNMVLQNM-XMMPIXPASA-N 480.008 5.076 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(C)cccc3Cl)CC2)c(C#N)c1 1830288701 RELRGXLHGWGNJD-VWLOTQADSA-N 494.035 5.005 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1830605960 KNGPTHMHLDBEEC-VWLOTQADSA-N 494.035 5.352 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1830631066 WHOGKPJCJVUPIL-VWLOTQADSA-N 497.561 5.247 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1830632703 WHSHUIIXHLGWHO-XMMPIXPASA-N 484.427 5.607 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(-c4cnco4)c3)CC2)c1 1830637856 XECCSMCLCFGVRF-KDYSTLNUSA-N 496.611 5.516 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)CC1 1830731009 NRZQKXALPCQBOJ-XMMPIXPASA-N 499.627 5.210 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCC(F)(F)C3)CC2)cc(C(F)(F)F)c1 1830755397 YAPSPOPQBWCSJU-WIYYLYMNSA-N 497.508 5.246 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1)C(F)(F)F 1831226800 ZXBQSLYLPMPBNC-UYAOXDASSA-N 468.947 5.108 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2-c2cccc(C)c2)CC1 1831370882 QWCRGPDBGRJXEO-AJTFRIOCSA-N 459.634 5.503 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2cc(F)cc(F)c2)CC1 1831371416 ZBEIZEMGGDSKNA-CLOONOSVSA-N 481.587 5.472 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1832037366 NLXQZGQCRGWUGP-MHZLTWQESA-N 489.685 5.075 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C)nc2C)CC1)c1ccccc1 1832091019 AZACRWOZELDQSC-KYJUHHDHSA-N 499.699 5.448 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@]3(C)CC=CCC3)CC2)cc1C#N 1832411653 QHSSVPMRGBPCRG-VAVYLYDRSA-N 477.649 5.325 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=N/N3CCCCC3)CC2)c1Cl 1832564083 HFFYBNDQNCIVSM-YGYFLSRZSA-N 493.479 5.007 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)CC1 1835815931 JPCWTAAXXXJZRP-UCGXPXSYSA-N 471.730 5.157 30 20 JKED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)c3cccc4c3oc3ccccc34)CC2)CC1 1837072259 LEGZHFZNXCNKLA-UHFFFAOYSA-N 492.641 5.117 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C)C2 1846012269 FEBVPUJDTOLVCS-FQEVSTJZSA-N 499.643 5.045 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1847265981 BXGUFVMVESUSME-VABKMULXSA-N 489.701 5.044 30 20 JKED C[C@@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 11272868 TZMBNVHJEQCNGQ-CYBMUJFWSA-N 469.563 5.335 30 20 JKED C[C@@H](OC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1C#N 12272288 NXAMIFOVTHSZBY-CYBMUJFWSA-N 458.301 5.023 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2ccccc2)c(Cl)c1 15248336 CRJGQBDCJVCZOE-UHFFFAOYSA-O 474.831 6.058 30 20 JKED O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccc2c(c1)CCCC2)c1ccccc1Br 22735340 FQQDVKWADZFTBD-UHFFFAOYSA-O 494.478 5.387 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)CC1 23501090 PSUZRNGSZINWNV-LQZXRHCMSA-N 467.085 5.728 30 20 JKED C=CCn1c(SC[C@H](O)Cn2c3ccccc3c3ccccc32)nnc1[C@H]1COc2ccccc2O1 25766820 RITLLILKCCGYEU-NIYFSFCBSA-N 498.608 5.238 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 29810894 OJGIRZLICGYXMO-SFHVURJKSA-N 457.603 5.224 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1ccco1 29991149 AXZVXMPHYIZNDI-JOCHJYFZSA-N 460.559 5.595 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nc2sccc2c1=O 36800041 KHNGZOPKBFBWAJ-FQEVSTJZSA-N 498.029 5.778 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1SCC(=O)N1CCCC1 59251713 PWNQVHQFGBWQEV-UHFFFAOYSA-N 472.570 5.021 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)CC)cc2)ccc1Cl 107915918 VCTIELTUWSCMRG-UHFFFAOYSA-N 498.004 5.322 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1 108696177 GNRYCDGPOWOEOU-UHFFFAOYSA-N 460.331 5.828 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccc(Br)cc2n1 195687817 YRWPFUFEGJSDGO-OAHLLOKOSA-N 456.752 6.059 30 20 JKED COc1cccc([C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)N2CCCC2)c1 255949923 IJLYKKAWVWKGCM-AREMUKBSSA-N 471.626 5.426 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(c2ccccc2Cl)CCOCC1 409785181 PYQAXTIMGBNYCE-UHFFFAOYSA-N 466.778 5.505 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 480817132 OIDROESEYDNRBX-QHCPKHFHSA-N 486.538 5.108 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc2F)c1 481010030 HYUHDPAYJZHQPX-HHHXNRCGSA-N 493.538 5.315 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)c2)cc1 482464711 RUALXHSHIFCTHS-UHFFFAOYSA-N 480.351 5.256 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)cc2)cc1 498137953 QTBXSCXDOHHRQC-UHFFFAOYSA-N 478.911 5.133 30 20 JKED C=CCn1c(SCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)nnc1-c1ccc(Cl)cc1 498432453 DJINKQHFGYUWBR-UHFFFAOYSA-N 493.036 5.159 30 20 JKED CC(C)(C)c1cc(CCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc(C(C)(C)C)c1O 502020067 VWUVCAGTDJLKNH-UHFFFAOYSA-N 489.660 5.669 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cs1 507907228 UJVDGAWSLXTIMW-UHFFFAOYSA-N 458.499 5.142 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cc1 511382991 LYQZAQCRPJRIBO-UHFFFAOYSA-N 476.964 5.525 30 20 JKED COc1cccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)N2CCCC2)c1 514171997 KHPATKKMCFMGIU-MUUNZHRXSA-N 486.591 5.255 30 20 JKED COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 514507974 CXTURHPUIGFVMB-JOCHJYFZSA-N 453.951 5.470 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)c2C#N)C1 514704119 MTVQIELKTUHMEG-OXQOHEQNSA-N 451.592 5.141 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)cc1 516736042 LRYPDZXPKYFWTL-UHFFFAOYSA-N 481.552 5.027 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccsc3NC(=O)c3ccc4c(c3)CCCC4)CC2)c1 517078825 FBPOEAMLHKPSRX-UHFFFAOYSA-N 485.609 5.434 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 517849678 YYMKLPQSBCEAQI-HHHXNRCGSA-N 468.532 5.131 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)c1 518728731 SNDKVBDEHWZMIK-UHFFFAOYSA-N 495.988 5.043 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 519425150 VRSHEJLAWNCQGD-LBPRGKRZSA-N 477.409 5.384 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3SC[C@H](C)C#N)o2)cc1 519433845 FNXMEFQFOYFIRB-LJQANCHMSA-N 453.567 6.821 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 520135967 DDXFGOAHCJJVAM-UHFFFAOYSA-N 492.501 6.358 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H]3CCSc4ccc(Cl)cc43)c2)c1 520946065 HWNXLLPEIKKFTR-QFIPXVFZSA-N 477.973 5.082 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 521134546 QRSNCAAZSJLPNG-UHFFFAOYSA-N 467.978 5.063 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 521731413 WNIFLIYBSLOPBN-UONOGXRCSA-N 458.559 5.779 30 20 JKED N#Cc1ccc(C(=O)Nc2ccccc2CC(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)nc1 522111322 ZRDPJEDBVXNLHQ-UHFFFAOYSA-N 481.559 6.543 30 20 JKED CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1occc1COc1cccc(C#N)c1 523957190 WLIXCNIXGFQUSO-UHFFFAOYSA-N 486.355 5.528 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4ccc(Br)cc4)CCOCC3)cc2)c1 553319954 JTHLJHGHQMOWAY-UHFFFAOYSA-N 492.373 5.940 30 20 JKED Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 557546967 JOKUVBYHPYPNCE-CYBMUJFWSA-N 460.390 5.593 30 20 JKED CN(c1ccc(OC[C@@H](C#N)CCC#N)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 562257678 LGMHPFVMDBRBHD-CQSZACIVSA-N 471.888 5.006 30 20 JKED CCC[C@H](NC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 588726226 HFAXVIISBRHTKS-KKUMJFAQSA-N 464.372 6.319 30 20 JKED Cc1ccc(-c2c(C)sc3nc(CSCC(=O)Nc4cccc(C#N)c4)nc(O)c23)cc1 603773620 RQUFDWRJZJVXML-UHFFFAOYSA-N 460.584 5.424 30 20 JKED N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cc2Cl)cc1 603987669 YGMCZCUIYBBYLN-UHFFFAOYSA-N 467.934 5.080 30 20 JKED COc1ccc(C2=NN(C(=O)CNc3ccccc3Oc3ncccc3C#N)[C@@H](c3ccco3)C2)cc1 604007588 ZBGIGEMEKQFKPI-XMMPIXPASA-N 493.523 5.137 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)cc2Cl)cc1 604090349 VYMUEQOUFGPGNQ-UHFFFAOYSA-N 460.921 5.299 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 604119037 CFZUOOIOCWILMN-UHFFFAOYSA-N 471.900 5.888 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(F)ccc1I 604562530 AXELWHAOFUPMPK-MBTKJCJQSA-N 483.165 5.070 30 20 JKED Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 609185099 TUHPCUFBTFNNKG-UHFFFAOYSA-N 463.921 5.049 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4nc(-c5ccccn5)no4)CC3)cc2F)c1 609208547 RIQVIWASIRKYAH-UHFFFAOYSA-N 498.518 5.133 30 20 JKED CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1Cl 609218666 BNCYOIRFFQCLJT-UHFFFAOYSA-N 494.331 5.556 30 20 JKED Cc1cccc(COc2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)c(C)c2)c1 609254003 FXRRUJJMOSNGJW-UHFFFAOYSA-N 454.574 5.498 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]2CCCC[C@H]21 609377053 OUJQRACEXXGGAI-VNHKHXMHSA-N 477.630 5.359 30 20 JKED Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)c1 609382912 WZDHMJKBHVVDSX-SFHVURJKSA-N 479.627 5.608 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 609428725 XTPWNYGHRXPINV-OAHLLOKOSA-N 471.376 6.268 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc(-c3ccco3)nc21 613319372 DBGZTYHEQAXFJO-GOSISDBHSA-N 487.972 6.539 30 20 JKED Cc1ccc(-c2noc(CCC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)n2)cc1F 615939919 LMEFGUABYHMTKZ-STQMWFEESA-N 467.385 5.142 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618304835 ZSWGKTNCDCUKGC-CHWSQXEVSA-N 481.437 5.516 30 20 JKED O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618543518 VKWRNLURQLWFGW-RYUDHWBXSA-N 493.370 5.137 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(-n2nccc2C(F)(F)F)c1 623589321 DJUXHKUSFQPXSM-RYUDHWBXSA-N 473.339 5.530 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(NC(=O)N(CC=C)Cc2ccccc2)c1 642196720 YGWNYVQBXLYOPD-UHFFFAOYSA-N 468.601 6.435 30 20 JKED C=CCc1cc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc(OC)c1OC 643414774 UYRNFHJONFUYGU-UHFFFAOYSA-N 466.969 5.323 30 20 JKED C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 662424078 NRAIAMIRSNBGNT-SFHVURJKSA-N 495.052 5.224 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 726322504 WVDJSRFMMMAEHR-JXFKEZNVSA-N 456.502 5.276 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1C 726396694 FZZCHHXIBHJJQA-OFNKIYASSA-N 467.635 5.306 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1Cl 726406929 MWZKENYYBXDKDY-QFIPXVFZSA-N 492.963 5.511 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 727133595 NTMJATIDMZFHAS-XMMPIXPASA-N 484.556 5.355 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cc1 727795421 GJCCFPRFZIXXGT-JOCHJYFZSA-N 492.494 5.560 30 20 JKED C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)NCc1ccc(OCC#N)cc1 727942503 OALJLAPUZIBKQS-JPYJTQIMSA-N 484.987 6.142 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(SC(F)F)cc1 727953835 PCSGEBXZSLGTMW-LNYGYFNRSA-N 456.514 5.683 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)cc2)c1 728005101 HWKYVWFCDKSHPK-MUUNZHRXSA-N 474.516 5.844 30 20 JKED C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 728298661 HVWSLELVBUTCPZ-CQSZACIVSA-N 468.872 5.277 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(CCCCC#N)C2=O)cc1 728777432 KUOUKEGVNSOVAK-JOCHJYFZSA-N 464.591 5.048 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)c1 729668127 CLKVYNJOBDYYGZ-UHFFFAOYSA-O 471.986 5.356 30 20 JKED N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc2ccccc2o1 729891364 GIPDGBDXTAYCGH-OAQYLSRUSA-N 452.901 5.753 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(CC)c3)N(Cc3cocn3)C2=O)cc1 730719086 WTCSUCSLCUUHBD-HSZRJFAPSA-N 492.601 5.186 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 731114234 KQGXXQVYXMRWAH-OKZBNKHCSA-N 456.587 5.013 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1F 731306797 BWUTTZDRMSECKO-IVZQSRNASA-N 499.539 5.245 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1C 731310204 CJDBRFPAERNKCH-OAQYLSRUSA-N 490.025 5.131 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1sccc1C 731310395 HGMOUWQULCJEEL-FQEVSTJZSA-N 465.600 5.231 30 20 JKED O=C(c1ccc(C/N=C\c2cc(Br)cc(Br)c2O)cc1)N1CCCCC1 732772272 UMWOXVAIGRQFQR-QRVIBDJDSA-N 480.200 5.162 30 20 JKED C[C@H](OC(=O)c1cccnc1Sc1ccc(Br)cc1)C(=O)Nc1ccccc1C#N 776732950 NAEZHXXBFRYBJD-AWEZNQCLSA-N 482.359 5.051 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 837882228 MFJYWQYCXUMVJY-KKSFZXQISA-N 464.978 5.457 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@H](C)c2ccccn2)cc1 837913088 PYTPLVZEYBCVFZ-KOSHJBKYSA-N 488.613 5.374 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)nc1C 899895878 SCIPZWTWYXKQOP-UHFFFAOYSA-N 489.626 5.453 30 20 JKED Sc1nnc([C@H]2COc3ccccc3O2)n1N=Cc1ccc(-c2ccccc2Br)s1 912794863 UCLIYLIOLNSJID-GOSISDBHSA-N 499.415 5.453 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1csc(COc2ccc(F)cc2)n1 914744608 XTLIBDHAPLCPLS-QWRGUYRKSA-N 470.410 5.501 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCc2ccccn2)cc1 916213818 IDRIFVQPSAPFCO-HSZRJFAPSA-N 494.567 5.125 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2C2CCCC2)cc1 916215173 TZSDRZYNGYWIRX-HSZRJFAPSA-N 481.618 5.169 30 20 JKED COc1cccc(-c2nc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)cs2)c1 916283654 MEPLKNJBYJEUQY-UHFFFAOYSA-N 458.568 5.448 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1ccc(F)cc1 916847102 LMLFALAGTPZWBF-IBGZPJMESA-N 460.534 5.312 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(Cl)c1OCC(C)C 916887047 LYIFNIQQZGVLEL-INIZCTEOSA-N 482.936 5.659 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 916906326 SGBCCFWEYYPWKI-NRFANRHFSA-N 471.605 5.458 30 20 JKED N#C[C@H](C(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 916907488 IKXDZNXFWLYQQW-JUWJPQTCSA-N 466.415 5.738 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 916941662 ANCSUGPMHDLDMT-HSZRJFAPSA-N 476.916 5.057 30 20 JKED N#C[C@H](C(=O)CCCCc1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917043910 QTKPPTUIWLARFN-CQSZACIVSA-N 459.518 6.514 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 917119737 VEJBDFZZASWYHR-SANMLTNESA-N 459.553 5.726 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)C2)c1 917430187 GOURRUDGGNFWIH-MAUKXSAKSA-N 486.519 5.744 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)cs1 917560382 MUTLRCSKGVBSRD-FLIBITNWSA-N 460.024 6.440 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(CC(C)C)cc1)[n+]1ccc(Cc2ccccc2)cc1 917610130 QUVACUZAMOAUFW-UHFFFAOYSA-O 457.663 6.140 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1F 917675618 RTOWKRXHQLXTSD-NRFANRHFSA-N 496.495 5.034 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(Cl)c2)cc1 917681926 RUWYVPWASHMYGZ-QFIPXVFZSA-N 474.973 5.372 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cccc(C)n2)c1 917688785 GVCXGDCRJFRUGO-XMMPIXPASA-N 488.613 5.122 30 20 JKED COC(=O)C1=C(C(=O)c2c(F)cccc2F)[C@H](c2cccs2)NC(=O)N1c1ccc(C)c(F)c1 918082975 LSJHCVXOWDQBCN-FQEVSTJZSA-N 486.471 5.055 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/COc3c(Br)cccc3C2=O)cs1 920067164 SZKVZXFIJIEXPQ-LCYFTJDESA-N 489.778 5.902 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2c1C 920109597 GTFPJNNEKGYJBT-CYBMUJFWSA-N 479.414 5.445 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cn3c(COc4ccccc4)nc4ccccc43)n2)cc1 920143244 OGFYGHIVWRHAEE-JOCHJYFZSA-N 494.576 5.624 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)s1 920169687 UZQSMICNRUCJFC-VGOFRKELSA-N 474.611 5.650 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc3ccccc23)no1 920352930 VLYWRWRWLYYQIB-QHCPKHFHSA-N 470.554 5.297 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cc(C)on3)C2=O)cc1 920354195 AKOGONBQDNQMII-QFIPXVFZSA-N 462.575 5.069 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2ccccc2C)cs1 920363374 XQYMYBUQQIFJSW-UHFFFAOYSA-N 477.537 5.475 30 20 JKED CC(=O)N(c1nc(COC(=O)c2ccccc2-c2ccccc2C#N)cs1)c1ccc(C)cc1C 921182041 QCWGIGYTYVWRRB-UHFFFAOYSA-N 481.577 6.340 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)CCO2)C1 1783106301 BONRVFKDHSWRSW-BCHFMIIMSA-N 492.582 5.409 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3(C)CCCC3)cc2)CCC1 1785906851 CQRVXLYTTALEOB-WHLCRQNOSA-N 481.637 5.170 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)cc2)CCC1 1786580249 KBHFLXMAASBSCN-UHFFFAOYSA-N 494.632 5.381 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)cc2)CCC1 1786635050 VSMNGXVCMUDBTN-JOCHJYFZSA-N 481.587 5.244 30 20 JKED Cc1nscc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)c(C#N)c3)CCC2)cc1 1787193478 SGNZMZQEVOEZQX-UHFFFAOYSA-N 474.586 5.172 30 20 JKED COc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(C#N)cc5)CCC4)cc3)[nH]c2c1 1788972328 QANDVRQGUBTHNO-UHFFFAOYSA-N 478.552 5.039 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1789211675 IQRASIVHVKJEHQ-PMOQBDJRSA-N 483.653 5.416 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5cccc6cnccc56)cc4)CCC3)c2c1 1789328198 ZGVPGJIWUKBYPZ-UHFFFAOYSA-N 486.535 5.044 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)c1 1789366819 OCQOEOPKYIOFEK-UHFFFAOYSA-N 468.582 5.482 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(OC)cc3C#N)CCC2)cc1 1789456249 NYJILBCERPQHDB-RUZDIDTESA-N 457.574 5.012 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1789577616 NJQGPBIEHKDTGM-NDZAJKAJSA-N 478.552 5.208 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cnccc3Cl)cc2)CCC1)c1ccc(O)cc1 1789681770 UAWQDTLEYCAMRG-FQEVSTJZSA-N 487.987 5.386 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4ccc(OC)nc34)cc2)CCC1 1790022320 LCPWQGKDDXJUCN-UHFFFAOYSA-N 458.562 5.088 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccncc5)[nH]n4)CCC3)cc2)c1Cl 1790083639 CBGBHQXEAVQDSK-UHFFFAOYSA-N 496.958 5.058 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3oc3ccccc34)[C@H]2C1 1790540351 NRGYULQNYNIQIR-QXWFJRNPSA-N 474.601 5.172 30 20 JKED CCCc1onc(C)c1C(=O)NC1(c2ccc(NC(=O)c3cc(C)cc(C#N)c3)cc2)CCC1 1790794913 DZDBXVJVMLVTDZ-UHFFFAOYSA-N 456.546 5.177 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ccncc45)cc3)CCC2)c1 1790862428 SNCTWKVFFSGRAF-HXUWFJFHSA-N 474.564 5.923 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccnc5c(O)cccc45)cc3)CCC2)cc1 1790977908 IOIJOESGIQTTHM-UHFFFAOYSA-N 490.563 5.193 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)[S@](=O)c3ccccc3)cc2)CCC1 1791059856 AYCMTELZXNASSC-KPITWACZSA-N 464.631 5.085 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(O)c(F)c4)CCC3)cc2)c1 1792127164 RKVZBKDJNZZTCO-KRWDZBQOSA-N 457.505 5.220 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3)CCC2)cc1 1792239905 FDGHQFGCNWOOTD-UHFFFAOYSA-N 459.933 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(OC)c(Br)c1 1793442626 BXILDHHOIOZAPB-ACDBMABISA-N 491.470 5.021 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Br)c3ccccc3c2)c1 1796722278 USPJRTAAVUYJIO-KOUNCHBCSA-N 488.385 5.040 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccc(Cl)cc3)[nH]n1)C2 1798420814 XVFRVLNCUKWERZ-KOUNCHBCSA-N 497.115 5.033 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(C)(C)Oc2ccc3ccccc3c2)c1 1799880991 BKBBFFZASLDBTL-OOSCYNTBSA-N 481.596 5.129 30 20 JKED C#CCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800010845 LWIJEHKJQNSVPK-XAPVIXHLSA-N 466.025 5.073 30 20 JKED COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C3)cc(C(F)(F)F)c1 1800840276 GNBBLAKPCSNHHA-WKCHPHFGSA-N 494.630 5.017 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1803997712 BDSBAOYUTPBPPL-DBLMEDDNSA-N 497.561 5.588 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC3(CCN(C(=O)c4c[nH]c5c(Cl)cccc45)CC3)C2)c1 1805329093 XVDPCIOQXFLQAM-UHFFFAOYSA-N 489.019 5.171 30 20 JKED Cc1cccc(C)c1C(=O)N1CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1810271539 HQAOULOZMUVYSE-IGKIAQTJSA-N 475.709 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccnc1 1810505508 WYBXROLHAHFBGM-XMSQKQJNSA-N 474.432 5.700 30 20 JKED CC(C)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1 1811252206 UJXGNPMGSVFNDH-MFMCTBQISA-N 479.624 5.237 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nscc23)[C@H]1c1cccnc1 1812213722 CWEWFARWOYHGSW-AUSIDOKSSA-N 462.619 5.003 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1812588575 PUXVLNYDCAJFEW-PRCFCKQXSA-N 468.022 5.482 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCc2ccccc2F)[C@H]1c1cccnc1)c1ccccc1 1813569478 ABTWAQQIRLSRMZ-FEVNIDIWSA-N 497.614 5.057 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cncc(C(F)(F)F)c2)[nH]n1 1814441525 MIDKOWYUYLDVQM-GOSISDBHSA-N 463.504 5.122 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814739251 QFCDIALWMBXEAT-VWLOTQADSA-N 499.615 5.397 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)n[nH]1 1815151657 KAKPACPDHNYJAJ-QNWVGRARSA-N 464.610 5.207 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)[nH]n3)c[nH]2)cc1 1816098458 RUQGRSWFTAWBDW-AREMUKBSSA-N 492.583 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H]2CNc3ccccc3C2)n[nH]1 1817372870 KBNVODGIXHZYMB-QFZWGZQFSA-N 475.637 5.235 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccoc3c2)n[nH]1)c1ccccc1 1817926049 ZXEVMBOGXQWRKO-QPPBQGQZSA-N 481.556 5.054 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cc[nH]c3cc2Cl)n[nH]1 1818745442 ULYOXBRXHJYFCW-GOSISDBHSA-N 461.900 5.062 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)[nH]n1 1819309496 CNAPNDHHGIZOSC-SNJYYNDWSA-N 466.557 5.031 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217355 IPVWUSXCXXSCMW-HXUWFJFHSA-N 465.916 5.002 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3)[nH]n2)c1Cl 1820220459 YLPGFVYTJXYRJR-LJQANCHMSA-N 468.344 5.208 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(F)c(C#N)c3)n[nH]2)cc1 1820915358 RMFORLROIRDRDP-RUZDIDTESA-N 487.579 5.021 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1)c1ccccc1 1821271077 PMPPRFRZCDOXJG-NOZRDPDXSA-N 473.552 5.166 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)[nH]n1 1821987635 JQBQUBLMOQGZNR-GOSISDBHSA-N 480.943 5.368 30 20 JKED COc1cccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1C 1822243325 HNKTVEMSBJXBPM-HSZRJFAPSA-N 494.712 5.013 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cccnc34)[nH]n2)c1 1823214584 GLOGJNVVMVIVNZ-MHECFPHRSA-N 478.556 5.205 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1Cl 1823909988 HURAHNFZGZGWCR-VWLOTQADSA-N 481.999 5.135 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1823915783 IKHYBDOCYSZSAP-VWLOTQADSA-N 464.009 5.262 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1824142941 BWFFMMTXAWZOSK-QHCPKHFHSA-N 499.652 5.628 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1824247538 CPAJVISTIHQKHM-AHWVRZQESA-N 457.058 5.503 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2C)CC1 1824963066 XXQQQBXQCDMLKI-OAQYLSRUSA-N 468.585 5.166 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c(C)noc2C)CC1)c1ccccc1 1825259355 DWNYYEJOTMNVHL-VSGBNLITSA-N 489.660 5.041 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1826191862 JCXPZVWTHUEFFU-HSZRJFAPSA-N 488.148 5.328 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1828168562 FLQSWCIVHHPXBL-DEOSSOPVSA-N 483.603 5.351 30 20 JKED O=C(C#Cc1ccccc1)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828743627 DJQGFBGEMVYZTQ-VWLOTQADSA-N 474.004 5.106 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnc3ccccc3c2)CC1 1828823407 GJSWCIFPTYVTTG-XTEPFMGCSA-N 473.661 5.556 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1)c1ccccc1 1829032034 IFZVVXHPWUUSCF-KYJUHHDHSA-N 493.651 5.665 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)[nH]c12 1829689993 HAESKVBUSPDZPN-XMMPIXPASA-N 489.019 5.549 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830169004 FINZNGZFANPAQB-WXVAWEFUSA-N 492.660 5.208 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)CC1 1830632813 ZNMIAOLZXCEMNY-VWLOTQADSA-N 494.035 5.352 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)cc1 1830633223 KNFAIAGLAIUYET-DEOSSOPVSA-N 467.972 5.092 30 20 JKED Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830722671 ODOMKHZIBFLISW-DEOSSOPVSA-N 467.972 5.206 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccccc3)CC2)cc(C(F)(F)F)c1 1830755587 IJPWHHZIMBXZAL-QHCPKHFHSA-N 469.507 5.124 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(C#N)cc4Cl)CC3)cc2s1 1830890054 LXTNVJHAZBDVAW-QHCPKHFHSA-N 495.048 5.610 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)CC1 1831842083 HWWPNDOEUXHPFP-VGSWGCGISA-N 481.687 5.448 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc3ccccc3c2)CC1 1831842742 OSWXQLNQPIMWEF-FQRUVTKNSA-N 487.669 5.453 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)n1 1832634960 YUHPRNHAZNJABI-PIKZIKFNSA-N 486.660 5.192 30 20 JKED Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1F 1832703006 RUCSPPCVNJIUFX-RUZDIDTESA-N 491.607 5.340 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cccc1C(F)(F)F 1832704588 MKXAKHAFPBUQCL-DEOSSOPVSA-N 483.534 5.433 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1832918988 LXMGRUPKYJRORN-GOTSBHOMSA-N 491.717 5.292 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1 1836679029 YRUVSPNJSAOCBK-HHHXNRCGSA-N 496.651 5.055 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc4c(Cl)cccc4s3)C2)c(Cl)c1 1843804751 OIOQKRIMECUWPM-UHFFFAOYSA-N 470.381 5.211 30 20 JKED C=CCSCC(=O)N1CC2(CCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)C1 1845546657 HSCICXZDDUCXTG-UHFFFAOYSA-N 472.610 5.368 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)c1C 10167787 CYYQSVYCHLYCPY-UHFFFAOYSA-O 486.060 6.886 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1cccc(C)c1C 10167830 QJPJMMICXHJCPO-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836578 WGRRBTIVLMGXBZ-UHFFFAOYSA-O 481.375 5.676 30 20 JKED C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)c1nc(-c2ccccc2)cs1 14723873 UKYHZCNXRJILEU-UHFFFAOYSA-N 490.050 5.327 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc2sc3c(c2c1=O)CCCCC3 16746675 KAHSGSAYWCZGLA-CYBMUJFWSA-N 475.586 5.310 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nnc1-c1ccc(Cl)cc1 21752023 MRVLDTJURHZMFZ-UHFFFAOYSA-N 469.054 6.762 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nnc1-c1ccoc1C 23638575 FOQLYTACOVHPJL-UHFFFAOYSA-N 454.577 5.466 30 20 JKED C=CCn1c(SCC(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccc(Cl)cc1 23951409 FGIDQKPQTFDVPR-UHFFFAOYSA-N 459.959 5.264 30 20 JKED C=CCN(C(=O)CCCNC(=O)c1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 26769979 VXTXYQOMQBLTSK-UHFFFAOYSA-N 464.374 5.439 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(C)c(F)c2)cc1 28793793 WJVIDIJDLZHDQT-UHFFFAOYSA-O 494.656 6.524 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2sccc2c1=O 36800414 XVXOXEMRZBQEKF-LJQANCHMSA-N 451.548 5.255 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 46668040 FWLFKGAFDPJNIX-UHFFFAOYSA-N 478.512 5.892 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)cc1 60043649 AOKYKKQHPBIDHD-LJQANCHMSA-N 459.552 5.623 30 20 JKED COc1ccc(-c2nc(SCc3csc(-c4ccc(C(C)C)cc4)n3)nc(O)c2C#N)cc1 78403669 YXRLKKXCRFHNAV-UHFFFAOYSA-N 474.611 6.269 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)sc2n1 108693494 VALSMHFUZDZXFH-UHFFFAOYSA-N 488.569 5.052 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)o1 109646747 JNSDDCMMDVCNQJ-UHFFFAOYSA-N 463.493 5.185 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F 254625646 ZTSSZYJTTVJJKG-XMMPIXPASA-N 486.572 5.510 30 20 JKED aggregator N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1 478064653 SUSWALUTLXQWSO-UHFFFAOYSA-N 470.554 5.813 30 20 JKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2Cl)n1 480378458 ODAOYOAGPUREDO-DLBZAZTESA-N 464.957 5.107 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3ccc(Oc4ccccc4)cc3)cc2F)c1 481384776 XDYGQZVECPZQRH-UHFFFAOYSA-N 495.510 5.324 30 20 JKED CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481684619 KWUYCYBZEVLBTA-UHFFFAOYSA-N 468.326 5.703 30 20 JKED N#Cc1c(NC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)sc2c1CCCC2 496575216 SIMJLCUGXNEOFG-UHFFFAOYSA-N 496.312 5.113 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1 499832596 WFIBVWVQBHMCLQ-UHFFFAOYSA-N 476.964 6.128 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(F)cc2OC)nnc1-c1ccc(Cl)cc1Cl 499970710 UOZWPEMJZYTSDV-UHFFFAOYSA-N 467.353 5.316 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)c2ccc(F)c(F)c2)c1 501007165 WKULQASHYQTFMW-UHFFFAOYSA-N 490.959 5.666 30 20 JKED C[C@@H](SCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nc2ccccc2[nH]1 501477618 WOHFOEJDVKBBRC-GOSISDBHSA-N 456.571 5.641 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)CC2)c1 502679102 KRHFEMDTCSJPHB-RUZDIDTESA-N 497.986 5.750 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)cc1C 503677475 ABUNBXIYXAWCIF-UHFFFAOYSA-N 492.008 5.266 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 505206593 BDWJJFUPNIMENF-UHFFFAOYSA-N 489.004 5.017 30 20 JKED C=CCN(C(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 508907511 QLQPJSCGIXYJNG-INIZCTEOSA-N 476.562 5.575 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 509725218 SDTCAMGMVFVQDB-AQRXXJNJSA-N 455.558 5.361 30 20 JKED COc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Br 512556843 HMPHJMNXRFCZSF-INIZCTEOSA-N 481.415 6.113 30 20 JKED COc1cc(Br)cc(C)c1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513868916 CSMOYFLEMFGPDU-UHFFFAOYSA-N 482.353 6.011 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccccc2Br)o1 515200044 BKHGAFRRBNRIJW-UHFFFAOYSA-N 468.380 5.160 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)nnc1-c1ccc(F)cc1 515606193 XVJZDAMWWGQRTD-UHFFFAOYSA-N 483.569 5.843 30 20 JKED CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 516014186 QCECYHCKTCJROW-QFIPXVFZSA-N 466.368 5.636 30 20 JKED CC(=O)Nc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1Cl 516388183 HIOAIRVKHHFSNI-UHFFFAOYSA-N 478.961 5.153 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)cc1 518173010 CONRNYDXLCTVJA-UHFFFAOYSA-N 454.530 5.181 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccccc1 519502749 LYQYGRDUQDHWJG-UHFFFAOYSA-N 486.519 5.418 30 20 JKED N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 519993462 OUHYIVLJUMHPQI-UHFFFAOYSA-N 457.511 5.125 30 20 JKED CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 520374424 PYEDUTKMEZYDAV-UHFFFAOYSA-N 492.044 6.675 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 521261554 UAVAPAWSLYANDP-HXUWFJFHSA-N 482.613 5.567 30 20 JKED N#C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccc(OCc2ccccc2)cc1 521501156 ZIGAIERYEYRYMD-RUZDIDTESA-N 451.526 5.624 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 521749783 WMAJCUOGFMGGNX-DENIHFKCSA-N 454.599 6.373 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCOc4c(-c5ccccc5)cccc43)cc2)cc1 523230727 NHJCPBWGSVURAZ-HHHXNRCGSA-N 489.531 5.596 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1 523253289 ZCNBAQZSIHPQAF-UHFFFAOYSA-N 477.948 5.698 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 523276525 SEOWOTHEWGDLOJ-IBGZPJMESA-N 457.530 5.306 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 587989031 NKRUIPSTOSZHHT-MRXNPFEDSA-N 490.466 6.229 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 588308358 MWUUTDDIBUKCPT-UHFFFAOYSA-N 476.023 5.100 30 20 JKED N#Cc1ccc(N2CC[C@@H](Sc3nnc(-c4ccccc4Cl)n3Cc3ccccc3)C2=O)cc1 589696796 CCVMBGOZJTXJFB-HSZRJFAPSA-N 486.000 5.416 30 20 JKED CC(C)Cn1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1ccc(Cl)cc1Cl 589932202 YLYOBYZDFRTJJY-UHFFFAOYSA-N 474.417 5.900 30 20 JKED N#Cc1ccccc1OCC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 603006636 HBZWHXJTEOYLPE-UHFFFAOYSA-N 454.338 6.218 30 20 JKED COc1ccc2c(c1)c(C(=O)N1CCN(c3oc(C4CC4)nc3C#N)CC1)c(C)n2C1CCCCC1 603595522 NYYJOOHWLKDWLB-UHFFFAOYSA-N 487.604 5.163 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4cccc(F)c4)no3)s2)c(C(F)(F)F)c1 603672354 AHWFENZMUVBTHZ-UHFFFAOYSA-N 472.423 5.671 30 20 JKED Cc1nc2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)cc2nc1C 603672619 PTXTYDAECNDAOC-UHFFFAOYSA-N 467.476 5.437 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 603674765 ZRCSOZMDXVDTHC-UHFFFAOYSA-N 498.352 5.035 30 20 JKED COc1cc([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1OC1CCCC1 603904549 VJDQNFZRPBGWBO-SFHVURJKSA-N 460.530 5.551 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(NC(=O)c4cc5ccccc5o4)cc3)cn2)cc1 604335965 UXPAJFFZBLSCHC-UHFFFAOYSA-N 488.503 5.925 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1 608852561 NQEUNSMZKRIPBM-UHFFFAOYSA-N 465.918 5.246 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCOc1ccccc1Br 609060398 CTUCLIOBOAAVTN-UHFFFAOYSA-N 465.347 5.616 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 609061615 QKIRATRMIODJHB-UHFFFAOYSA-N 473.479 5.950 30 20 JKED COC(=O)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(OCC(F)(F)F)c1 609081761 AXQUXPIRNWGZEL-QWRGUYRKSA-N 496.326 5.009 30 20 JKED CS(=O)(=O)Nc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1Cl 609164166 HWIXJVSREBZZCA-SFHVURJKSA-N 474.369 5.273 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1Cl 609164218 JDRDSHNOROKRBW-NRFANRHFSA-N 494.407 5.960 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cc1 609376700 HGCCOSATBIUSRG-IBGZPJMESA-N 473.598 5.058 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 609377763 LOKDYVIMLYTUIX-INIZCTEOSA-N 472.010 5.091 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)oc12 609435707 HJIPLIQXPLLCBB-HOTGVXAUSA-N 451.548 5.042 30 20 JKED COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 609436802 UYZDLMLJVLUQJG-HOYKHHGWSA-N 463.578 6.334 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)n(Cc2ccccc2)c1C 611191024 XMHQXZQWDODNER-UHFFFAOYSA-N 495.530 5.718 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nc2sc3c(c2c1=O)CCC3 612552525 OPIHIHNBZPVMAO-LLVKDONJSA-N 463.987 5.045 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)nnc1-c1ccccc1OC 613933352 SHGIOCUZQMYEAF-VWLOTQADSA-N 476.646 5.670 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)o1 620304602 RYBSGHHTABWDSV-CYBMUJFWSA-N 456.499 5.197 30 20 JKED O=C(c1ccc(OC(F)F)cc1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517010 XIUZGCYNSLRZKO-MRXNPFEDSA-N 469.328 5.539 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1F 726397717 IOXFLNPNIYMSOY-ORAYPTAESA-N 481.952 5.004 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S/C1=N\[C@H](C)c1cccs1 726422247 UTKHOFGXYMTEQE-SASVBXQUSA-N 480.999 5.110 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1csc(-c2ccc3c(c2)OCO3)n1 728427326 BXIXHONJRCDGBH-UHFFFAOYSA-N 476.370 5.275 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(CCCCC#N)C2=O)cc1 728777437 KUOUKEGVNSOVAK-QFIPXVFZSA-N 464.591 5.048 30 20 JKED C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 729037144 WGMMSRWJEIEZMI-KBMIEXCESA-N 460.528 5.531 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1OC 729425863 JVLAIMBTWOIWOY-OAQYLSRUSA-N 452.963 5.644 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729554094 ZOEMLTDSZDEKJH-UUOWRZLLSA-N 470.573 6.796 30 20 JKED COc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c3ccccc3)c(F)c2)c(F)c1 730634473 XNZPEWHCZHSRIW-QGZVFWFLSA-N 464.468 5.133 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 730686904 KIFRPUGFRSPXRU-OAHLLOKOSA-N 458.395 6.536 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2cccc(Cl)c2)s1 730719491 GCGWGEWEYIWXHY-KBXCAEBGSA-N 486.022 5.221 30 20 JKED Cc1c(C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2c1ccc1ccccc12 731060987 OKCVRPDSIDKVBE-INIZCTEOSA-N 458.539 6.084 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cc(Cl)cc(Cl)c1 731308115 JJNXQRFZPQGFMI-QGZVFWFLSA-N 452.363 5.069 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c1 731308694 MDSCKAIGNHJZRR-SBUREZEXSA-N 477.586 5.139 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C)c1 731311096 WFQWMRPBUMYBEU-XMMPIXPASA-N 489.597 5.008 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCc1cccs1)c1cccs1 731312126 LCLHQOPZQUCHGM-UMPNBCCSSA-N 485.656 5.148 30 20 JKED COc1cc(C(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)o2)ccc1S(C)(=O)=O 747062056 SJAGRCGRZLMPEY-CSKARUKUSA-N 450.434 5.274 30 20 JKED CCOc1cc(/C=C2/CN(C(C)(C)C)C/C(=C/c3ccc(O)c(OCC)c3)C2=O)ccc1O 747067337 SOCBEKIKZFQUPV-FDYZEBBJSA-N 451.563 5.045 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cscn2)cc1 747603742 WVHHTGMFJXUJCD-JOCHJYFZSA-N 478.643 5.105 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 749657002 SPWQYQGLJZWWQE-BVAGGSTKSA-N 489.616 5.389 30 20 JKED CC[C@@H](C)n1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 749750925 HRACREKAGNSGGE-YLJYHZDGSA-N 473.627 6.008 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)C(=O)c1ccccc1 810238299 IVUGKDLMKYCNEK-HAVVHWLPSA-N 494.513 6.217 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H](C)c3cccnc3)C2=O)cc1 838236715 YMTGZKSMPSTNGG-WZONZLPQSA-N 476.577 5.559 30 20 JKED N#Cc1ccc(OCc2ccc(-c3nc(-c4ccc(OCc5cccnc5)cc4)no3)o2)cc1 904466122 QIPKCSWSPJVHDZ-UHFFFAOYSA-N 450.454 5.421 30 20 JKED CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1 904703709 LLSVTHGYSDNLCL-CYBMUJFWSA-N 499.383 5.334 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 915086992 OPVDXMCPOFOKOK-MHZLTWQESA-N 481.577 5.419 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 915730776 OKTNAMIWUPSIFK-NPNRJBRQSA-N 497.598 5.694 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1OCc1cccnc1 915945394 SXUQYUJWCZPHPQ-UHFFFAOYSA-N 451.555 5.167 30 20 JKED O=[N+]([O-])c1ccc(-c2ccc(C=NNCc3cccc4cccnc34)o2)c(Br)c1 915963121 MXNWAXQEIRBYBY-UHFFFAOYSA-N 451.280 5.289 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)c2ccc(CC(=O)O)cc2)cc1OC 915988145 QIDHHKGQHZWVLZ-OWBHPGMISA-N 482.536 5.139 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1OC 916127574 KXFYRRPVAHYVCA-OQFOIZHKSA-N 487.886 5.549 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@H]2CCCO2)c1 916204488 GNTKYEKBXDMZKS-OFNKIYASSA-N 465.619 5.060 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)cc2)c1 916205750 LGAINJYLEMWHLL-QHCPKHFHSA-N 477.561 5.303 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)cc1 916213657 DVKSQGMOYDLBDB-FQEVSTJZSA-N 491.535 5.617 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccc(F)cc2)C1=O 916215739 JNJKFOPYMPSJFF-QHCPKHFHSA-N 477.561 5.303 30 20 JKED CCOc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1c(F)cccc1Cl 916310691 DNRVDIRGPSJHAL-UHFFFAOYSA-N 485.968 5.727 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)s1 916904466 DKVKUGGHPHLKKV-SFHVURJKSA-N 473.579 5.862 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(Br)cc2)s1 916910878 JTFLAUFQQPDNEO-AWEZNQCLSA-N 459.752 5.792 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916939282 QKAURNXLZFQHJB-MRXNPFEDSA-N 493.753 5.479 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(-c2ccc(Cl)cc2)cs1 916975716 DUNMEBNFQJPSAN-SFHVURJKSA-N 483.380 6.366 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)ccc2C)cc1 917612307 PBBVSPTVHJPGPS-UHFFFAOYSA-O 456.635 6.690 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccsc2)C1=O)Nc1ccccc1F 917664324 NBPDHGRGANSBBF-IBGZPJMESA-N 457.527 5.187 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c1 917689620 PMURRHLQHKNTLW-DSNGMDLFSA-N 490.673 5.145 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccc2OC(F)F)C1=O)NC1CC1 917702380 SOHOIOSTTBALHE-QFIPXVFZSA-N 495.551 5.242 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@H](c2cccc(C#N)c2)NC(=S)N1CCc1cccs1 917999707 IFBGBWXVZVNCFX-NRFANRHFSA-N 494.045 5.055 30 20 JKED N#Cc1ccc(S(=O)(=O)NC(=O)c2sc3cccc(Cl)c3c2Cl)c(C(F)(F)F)c1 918536124 PWGICOORTLFGEC-UHFFFAOYSA-N 479.288 5.217 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)CSCc2ccc(C#N)cc2)cs1 919207282 PWFMGFNQQMFSRL-UHFFFAOYSA-N 471.991 5.329 30 20 JKED COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 919666666 LOAUGCYICNVAFE-QGZVFWFLSA-N 465.849 5.010 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)COc1ccc2cc(Br)ccc2c1 920105371 DGOONPBSKGPWQX-HXUWFJFHSA-N 461.315 5.363 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(-c4ccccc4)cc3Cl)n2)cc1 920141833 MEJBZLNGAJGYKC-OAQYLSRUSA-N 469.953 6.257 30 20 JKED CCCc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)c12 920681886 RBYFGMZQNOKATG-UHFFFAOYSA-N 492.919 5.192 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 920803798 CPYKCHUDUCLMBZ-HNNXBMFYSA-N 480.521 5.216 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 920975199 GYEJYCAPFXKDPI-MHECFPHRSA-N 472.976 6.005 30 20 JKED N#Cc1cc(NC(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)ccc1Oc1ccccc1 1639188305 RGEWMVOYXGJTDU-UHFFFAOYSA-N 452.392 5.220 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C(F)(F)F)cn4)cc3)CCC2)c1 1786876750 VPBTYCIURIVHGX-UHFFFAOYSA-N 492.501 5.353 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCc4ccco4)cc3)CCC2)cc(C(F)(F)F)c1 1786903470 SGBGXRWOMVOLMO-UHFFFAOYSA-N 481.474 5.551 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C4CC4)CCC3)cc2)c(O)n1 1787171679 FHCLWMILZYDBRL-UHFFFAOYSA-N 488.613 5.301 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)s1 1787336084 IBUFGCWJBQPCGI-INIZCTEOSA-N 458.587 5.449 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCC(F)(F)C4)CCC3)cc2)c(C(F)(F)F)n1 1788356682 YXJDKSWMIYUFQY-AWEZNQCLSA-N 492.448 5.155 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5c(Cl)cccn45)cc3)CCC2)c1 1788388463 XRVAVTZHKMDPOG-GOSISDBHSA-N 497.986 5.676 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)ncc3F)cc2)CCC1 1788784183 JABBAVZQMSDFLF-GOSISDBHSA-N 486.385 5.499 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(OC)ccc4o3)cc2)CCC1 1789241029 RXFCBXXYRPCEFS-UHFFFAOYSA-N 450.560 5.108 30 20 JKED C[C@@H](Nc1nccs1)C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508974 YSSMKPKAEHLEKJ-LJQANCHMSA-N 482.726 5.129 30 20 JKED O=C(C#CC1(O)CCCCC1)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1789538600 ZGLACXOUMPGETC-UHFFFAOYSA-N 493.607 5.195 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ncc(OC(F)F)cc3Cl)CCC2)cc1)C(F)(F)F 1791301921 FIYBHYLZOIYVPG-UHFFFAOYSA-N 489.828 5.203 30 20 JKED COc1ccc(COCC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1 1791687975 BQEPGQYTTWEUNB-NRFANRHFSA-N 497.595 5.287 30 20 JKED Cc1[nH]ccc1C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)CCC1 1792168491 HHPFEXCBXLXZMX-UHFFFAOYSA-N 456.546 5.044 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(Cl)c1OCc1ccccc1)C2 1793575614 JTFDKHYDPSFCTD-NUNAXRQHSA-N 497.035 5.154 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#Cc2ccc(Cl)cc2)C3)c1 1796461059 KJVDVBFQWCDZLW-QEIWAGNOSA-N 483.999 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 1797269748 WMLAGBYPHFXZPI-KOUNCHBCSA-N 482.024 5.772 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 1797777108 WVIYWSVWXDTRSP-HTUFRPJOSA-N 471.117 5.133 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3C(F)(F)F)[nH]n1)C2 1798333230 TXFHOLUDAHNQQY-RDGPPVDQSA-N 486.538 5.116 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3-c3ccc(C)cc3)[C@@H]2c2cccnc2)C1 1802412341 KREJNSSBLBGXAT-UFHPHHKVSA-N 465.597 5.343 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccnc1 1802495287 JNANWOXUMNPRGS-LAUBAEHRSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C2(c3ccccc3)CCC2)[C@H]1c1cccnc1 1802501136 HPAXLDLIZIGEJU-ZCYQVOJMSA-N 459.634 5.202 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)C3)c1 1803679482 NMSURIDBWSWEBX-ORXSNDROSA-N 461.993 5.023 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Oc4ccccc4)cc2)C3)c1 1803684476 KKENZLVLDWKIIX-JTMVAAEOSA-N 479.580 5.672 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4cc(C)cc(C)c4NC(=O)OC(C)(C)C)CC3)C2)C1 1804785868 YJLUWZGCUHUTHY-UHFFFAOYSA-N 495.664 5.461 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)CCc3c[nH]c4ccc(F)cc34)CC2)C1 1804866062 MNXWZOBASJIWCP-UHFFFAOYSA-N 467.629 5.463 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1806025676 OJRFIWTUWPNTFY-SIKLNZKXSA-N 498.067 5.064 30 20 JKED N#Cc1cc(C(=O)N2CCC3(CCCN(C(=O)CCCC(F)(F)F)C3)CC2)cc(C(F)(F)F)c1 1806541583 BZRCEDUENHRASC-UHFFFAOYSA-N 489.460 5.154 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)C1 1806679339 LUXGDPWZCNFHMI-UHFFFAOYSA-N 481.489 5.175 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1808888714 HXOMFQYUUFKBLP-PDWOAGSZSA-N 493.673 5.195 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1810178045 LPSIUKSDHJPHDN-VIZSFHNOSA-N 489.513 5.328 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]1c1cccnc1)c1ccccc1 1810448060 RGKRQUKIPZHROH-XWVPDDBYSA-N 471.645 5.111 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccccc2)[C@@H]1c1cccnc1 1810493082 VLVOLAFPKFTPIE-JCTONOIOSA-N 465.663 5.261 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)cc3F)[C@H]2c2cccnc2)c1 1811801968 PMPBTOWRKPUQTF-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)N(CC)CC)[C@H]1c1cccnc1 1812426939 VHKVMSZRXXQSAQ-ZONZVBGPSA-N 490.692 5.163 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[C@H](C(C)C)CC3)[C@H]2c2cccnc2)c1 1812792875 HPDVATSRQOBCJZ-JTOATPROSA-N 472.633 5.044 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)c(Cl)c3)[nH]n2)C1 1814398220 ANZSCJLMCVIYES-KRWDZBQOSA-N 467.784 5.642 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1814409361 LMTHFKZPCFYLMK-NLMIPJBGSA-N 473.602 5.071 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1)c1ccccc1 1814931910 SQGFFFFKOCJELT-UKILVPOCSA-N 455.562 5.027 30 20 JKED Cc1ccsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1816350129 OWKXUMRPOVQXPW-GOSISDBHSA-N 487.507 5.290 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)c2ccc(OC)cc2)[nH]n1 1819553630 MZFPOOQUPLQFSX-JOCHJYFZSA-N 480.609 5.066 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2ccccc2)n[nH]1 1820003666 FSLIVTRHOUMHLN-RUZDIDTESA-N 469.589 5.546 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)c1 1820506637 JHBYLHPJOCZNPQ-OAQYLSRUSA-N 498.370 5.216 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1)NC(=O)OC(C)(C)C 1820903446 ULSYNHYLYCZCLM-CMXLANDRSA-N 499.656 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(-c3cnco3)c2)n[nH]1 1821186266 PZFRAZYDCDGCKN-IFMALSPDSA-N 459.550 5.139 30 20 JKED Cc1cc(F)c(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1821334183 MUPPLSRUIKWRLX-KSFYIVLOSA-N 477.515 5.243 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)[nH]n1 1822399269 VIKWLTARBSYBGD-INIZCTEOSA-N 473.396 5.269 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)[nH]n1)c1ccc(O)cc1 1822466761 NAFQCYZRMHBYBK-GREBRCKQSA-N 490.629 5.170 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ncsc34)[nH]n2)c1 1823214790 KMOQJXIEKFSLKZ-AOMKIAJQSA-N 484.585 5.266 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C)CCCCC3)[nH]n2)cc1C#N 1823293980 HPMFXQJIIZJEQS-JOCHJYFZSA-N 477.609 5.345 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1)c1ccc(F)cc1C(F)(F)F 1823295746 AZHLLIMKEXQGIC-INIZCTEOSA-N 494.411 5.606 30 20 JKED CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)CCCC1 1823847222 BQDCMSRQBLWDSW-JOCHJYFZSA-N 475.555 5.391 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)CC1 1826683500 JIWKWXGJFRAXDI-URXFXBBRSA-N 493.051 5.165 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1)c1cccs1 1827682810 MYBMVGSZPXUYLM-DKFQHHCZSA-N 498.695 5.697 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sc3ccccc3c2Cl)CC1 1828166466 SFDBVUFMALOXOA-FQEVSTJZSA-N 457.039 5.592 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4scnc4c3)CC2)c1 1828673731 PDRYSJOMUCQGNB-XMMPIXPASA-N 472.614 5.024 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1828826370 CJYXQHYCTIELBA-UPVQGACJSA-N 489.685 6.156 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccoc2)CC1)c1ccccc1 1829029594 DAELTLHLWWIJSK-HKRYAFHYSA-N 458.602 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccccc2OC)CC1 1829068061 CCSRWTNSTMEKSW-XMMPIXPASA-N 454.655 5.240 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1 1829677342 WTFLQPRUGUWQPX-MHZLTWQESA-N 473.617 5.237 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cc2)CC1 1830020053 CYMDIIVNTBQCPI-DEOSSOPVSA-N 456.678 5.110 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)CC2)c1 1830100178 YMZGCTKMJKCZQA-AVRWGWEMSA-N 465.544 5.139 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(Br)cc2Cl)CC1 1830531114 FTGQLWNADUSQEQ-LJQANCHMSA-N 498.824 5.025 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c(Cl)c1 1830720578 BNLAZBQKNWROSO-BFLUCZKCSA-N 494.010 5.388 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc2c[nH]nc12 1830864343 OBVFYDKWTYVRSW-RUZDIDTESA-N 492.740 5.156 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(C(=O)OC)ccc3c2)CC1 1831031450 XXKCRSHLKZUNKN-DEOSSOPVSA-N 498.570 5.071 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1831844568 BMKHFBHTOSIVDH-MUEKUWCCSA-N 486.628 5.436 30 20 JKED COc1cccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1C 1832634190 PFWQEWVQPMWLPV-ZBLYBZFDSA-N 487.644 5.107 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 1832634466 MGAKXRXVTNCXGU-FQRUVTKNSA-N 478.036 5.443 30 20 JKED CC(C)c1csc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)n1 1832635316 ZZJPEGQKFSBJKD-NTKDMRAZSA-N 478.662 5.441 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)Cc3ccco3)CC2)cc1C#N 1832704922 ZDHKRILMZDBPKN-HFZDXXHNSA-N 491.632 5.051 30 20 JKED N#Cc1ccc2c(c(O)nn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1Br 2332240680 ZUVBCQGDMUQENF-UHFFFAOYSA-N 480.365 6.216 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cccc(NC(=O)c3cccs3)c2)ccc1Cl 11277613 GXPHCKKZHPWOBY-UHFFFAOYSA-N 481.961 5.066 30 20 JKED Cc1c(C#N)c(NC(=O)CCN2CCC(c3nc4ccccc4s3)CC2)n(Cc2ccco2)c1C 14789031 TYIHHZQZFHLQMX-UHFFFAOYSA-N 487.629 5.436 30 20 JKED CC(=O)N(c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1)c1ccccc1F 21515097 HQTDZBMQHUASQK-UHFFFAOYSA-N 466.485 5.853 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 22140817 VIIFXPFHDXLHAV-UHFFFAOYSA-N 459.552 5.374 30 20 JKED Cc1cc(S[C@@H](C)C(=O)OCc2nc(-c3ccsc3)no2)n2c(nc3ccccc32)c1C#N 22645022 VXRUAHOWKGBWPB-AWEZNQCLSA-N 475.555 5.003 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(OCC)cc2)=C(/S)Nc2cccc(Cl)c2C)cc1 22728247 SFGJKNRZJSQMHN-UHFFFAOYSA-O 468.042 6.338 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(C)(C)C)cc2)c1 22729675 NRJMSRJZVBCSTR-UHFFFAOYSA-O 453.578 6.218 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1[C@H]1COc2ccccc2O1 23517751 XVRMVLQHVBMEGO-VGOFRKELSA-N 478.618 5.221 30 20 JKED C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)Nc1cccc(C#N)c1 23600688 IUMBPMYKQUQMAL-HNNXBMFYSA-N 463.950 5.231 30 20 JKED O=C(NCCCCOc1ccc(F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 25342153 DZLJDVYXZORNEW-UHFFFAOYSA-N 489.391 5.638 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)cc1OC 25992305 SLNQGEOONHGBNH-UHFFFAOYSA-N 472.950 5.412 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 29447788 RMYFNDKIAKEMJO-UHFFFAOYSA-N 455.583 5.006 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 303301828 CWHUPWQQOXHTHL-HNNXBMFYSA-N 471.376 6.268 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 409475118 CNKDVAVAWZLZII-UHFFFAOYSA-N 486.341 5.331 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 409549488 ONMLMUXMNHWSEQ-UHFFFAOYSA-N 475.337 5.119 30 20 JKED Cc1cc(C)c(-c2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)o2)c(C)c1 483265266 FVRGBEHSQQHRSP-UHFFFAOYSA-N 454.983 5.663 30 20 JKED N#Cc1ccc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 485041858 JCRNKUISRQFIGZ-UHFFFAOYSA-N 492.409 5.397 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)C3(c4ccc(Br)cc4)CC3)s2)cc1 491456305 MLOGXVYDIJZMME-UHFFFAOYSA-N 471.405 5.135 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1 501160375 LROABOXLXRGLKY-UHFFFAOYSA-N 471.561 5.220 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 502612887 GDZSAFXSNBLWPU-FQEVSTJZSA-N 463.347 5.366 30 20 JKED CCOc1ccc(Oc2ccccc2NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 502670767 QAUMPILPSOPLJJ-UHFFFAOYSA-N 484.556 5.632 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(CCC#N)Cc2ccccn2)s1 505193405 LANYVSWPTBDMBK-UHFFFAOYSA-N 483.597 5.442 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1 511459433 JYPJDZZWFUPDCY-XMMPIXPASA-N 461.949 5.191 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cc1 512489427 PYCMXQXOZQLSSZ-FXAWDEMLSA-N 483.553 6.085 30 20 JKED CN(Cc1csc(Br)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 513569883 XHECINRPWGIUCT-UHFFFAOYSA-N 470.392 5.820 30 20 JKED CC(C)COc1ccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 515694105 FTPLYCFUEUXLSI-UHFFFAOYSA-N 450.560 5.167 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-])c1ccccn1 516714132 QRYOWIJRUKLPOJ-BBRMVZONSA-N 477.933 5.916 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 517465608 NMUWTSGNTLZILS-QVKFZJNVSA-N 486.435 5.297 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 518137696 NVCYJGLPSUXDGL-INIZCTEOSA-N 469.563 5.131 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)c2)cc1 518671902 JXCYOEHHELDMSU-NDEPHWFRSA-N 492.579 5.505 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 518751140 GUTXZKYHMNZAKC-OAHLLOKOSA-N 461.509 5.229 30 20 JKED CCOc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1OCC(=O)N1CCCCC1 519122349 BECGBVIBOIFTPS-UHFFFAOYSA-N 499.567 5.393 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(O)c2c3c(sc2n1)CCCC3 519413085 AEQKSCJMDUWZFN-CYBMUJFWSA-N 470.645 5.258 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 520813499 JIPVGXLNEXTCHF-OAHLLOKOSA-N 478.574 5.297 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)C2)cc1 520837387 RZQNJJIQOBOCJN-SFHVURJKSA-N 475.536 5.511 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2OC(F)F)nnc1-c1ccc(Cl)cc1 523273854 DCNFREARDXSAHM-UHFFFAOYSA-N 464.925 5.425 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nnc(-c3cc4ccccc4o3)o2)cc1 523833089 KPOYNYPFNXDTPE-UHFFFAOYSA-N 480.480 5.727 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 524386354 XWFQEXRAOJZQHB-DEOSSOPVSA-N 489.959 5.043 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1[nH]c2ccccc2c1Br 524421464 VVDUXIBAQLRLFV-UHFFFAOYSA-N 460.331 5.942 30 20 JKED Cc1ccc(NC(=O)Cc2nc(CSc3nc4c(c(-c5ccco5)c3C#N)CCC4)cs2)cc1 551569727 XNVYHEYWIJBUJU-UHFFFAOYSA-N 486.622 5.940 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)cn2)c1 603622872 JWFOPEBTOTYRKP-SFHVURJKSA-N 495.366 5.543 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cccc(NC(=O)c4ccc(Br)o4)c3)n2)cc1 603749981 PDNPIFNIHIBUFZ-UHFFFAOYSA-N 493.342 5.542 30 20 JKED C=CCN(C(=O)CSCc1coc(-c2ccccc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603750729 BOAZVMSHITXJAZ-UHFFFAOYSA-N 492.582 5.826 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603758906 OGYBPPCNPQIVDU-QHCPKHFHSA-N 488.012 7.145 30 20 JKED COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c(C)c12 603766263 PBIOLRLECDXFNR-QFIPXVFZSA-N 487.991 5.474 30 20 JKED COc1ccc(CSCC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 603766733 VNRIIYMYWLPKPW-HXUWFJFHSA-N 481.961 5.784 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c1 603969504 AMORPMCWGUGHSV-UHFFFAOYSA-N 459.889 5.075 30 20 JKED COc1ccc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c2nccn2C)cc1 604088397 QRBWSLREKAUZBW-DEOSSOPVSA-N 487.947 5.657 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccco2)cc1Cl 604159709 NMUCZYLDPLHCKH-QHCPKHFHSA-N 473.916 5.349 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)s2)cc1OC 609027994 KZUNTGGDMRYFDW-HSZRJFAPSA-N 499.592 5.709 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)N1CCCC1 609078816 QBUFUSIEHWPCTL-MHZLTWQESA-N 484.600 5.413 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2F)c1 609105026 SIFCFECSOAENBW-UHFFFAOYSA-N 467.456 5.572 30 20 JKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 609387299 WGWOZJIGYGCSRW-IRXDYDNUSA-N 464.616 5.691 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 609428616 XJDBDNDGAWBCMX-CQSZACIVSA-N 461.534 6.404 30 20 JKED N#C[C@@H](C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2o1 614439746 GOJXPPTUZKRSFW-SFHVURJKSA-N 460.287 5.333 30 20 JKED O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618365698 KMDYDUZBEXZCSD-KBPBESRZSA-N 486.387 6.351 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1OC 620759279 IQIYQWJYFJDWEB-OAHLLOKOSA-N 474.374 5.507 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)c2ccccc2OC)c1 642073456 VRMYCNKMUOLBIR-UHFFFAOYSA-N 485.005 5.397 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N(CC)c1ccccc1 645079424 CCHCACNIVCERGT-QGZVFWFLSA-N 456.999 5.230 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726074969 YPYKIVGJWPCNDE-AREMUKBSSA-N 468.532 6.233 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cn1 726113322 RIDNAKCZISNXFT-UPVQGACJSA-N 491.592 5.154 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 726395762 BESCTQCIUAXZTJ-DJJJIMSYSA-N 498.407 5.518 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(CC(F)(F)F)C2=O)c1 726414460 BUZDYGCQBMBJRL-LJQANCHMSA-N 495.523 5.005 30 20 JKED COc1ccc(C(=O)/C=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1NC(C)=O 726428335 KBNZHHKADFSVTL-XCVCLJGOSA-N 450.422 5.389 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(F)cc2F)cc1 726570761 KXAURAYZJNIXLV-UHFFFAOYSA-O 499.006 7.004 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCNC(=O)c2ccc(Br)cc2)cc1 726695401 FARVYNHQEDWKTC-HSZRJFAPSA-N 491.389 5.046 30 20 JKED CCCN1C/C(=C\c2ccc(O[C@H](C)C#N)cc2)C(=O)/C(=C/c2ccc(O[C@H](C)C#N)cc2)C1 727744202 CXPDERIHLTXJKO-FYGLJAMQSA-N 455.558 5.030 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)c1 728015124 XPKVIPOVDDEWOI-UHFFFAOYSA-N 473.435 5.398 30 20 JKED O=C1/C(=C\c2cccnc2Cl)CN(c2ccc(F)cc2F)C/C1=C/c1cccnc1Cl 728697875 YPWQYHQAZXPXIN-CQRYCMKKSA-N 458.295 5.618 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729571248 RYYMDOSRVFIONB-LJQANCHMSA-N 450.539 5.119 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(C3CCC3)C2=O)c(OC)c1 730459960 QLHLZVGTTPKHGF-XMMPIXPASA-N 489.597 5.370 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2C2CCC2)cc1F 730462635 ZSFMLEJTMWJWFN-IBGZPJMESA-N 490.944 5.209 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1 730530145 DBMUSRFXAXUTFD-DEOSSOPVSA-N 472.614 5.421 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cocn2)C1=O)Nc1ccc(F)cc1F 730723010 CVCJKJVFDPSXMF-QFIPXVFZSA-N 492.507 5.267 30 20 JKED N#CCSc1ccccc1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 730790915 ORIOHNAUPAOWTP-UHFFFAOYSA-N 469.488 5.503 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 731070246 UIOIBTXDOXGKRD-KRWDZBQOSA-N 491.544 5.268 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C)c(F)c2)cc1 731306589 WHRBZOZJWLOJCH-HSZRJFAPSA-N 493.560 5.009 30 20 JKED C=C(C)COc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(C)cc3)s2)ccc1OC 747064460 WOJQWMPGLJLOSL-WQRHYEAKSA-N 455.967 5.799 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(CCc3nccs3)C2=O)cc1 747603839 YSYFCRKWUYDQMG-NRFANRHFSA-N 478.643 5.271 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 750689459 HUAYTXWKQVAYOA-SANMLTNESA-N 450.542 6.094 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(Cl)cc1Cl 799220203 IAVBCIVRYIZDRQ-GOSISDBHSA-N 496.803 5.249 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CC(F)(F)F 799222337 VONJLAPLHSDQAY-QGZVFWFLSA-N 471.451 5.050 30 20 JKED N#Cc1ccc(COC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)cc1 818152941 GAIQZXGSFKYNHS-UHFFFAOYSA-N 454.433 5.243 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 837302266 XIJGDUCBHRNQLL-SZNDQCEHSA-N 484.503 5.220 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3OC)N(Cc3ccco3)C2=O)cc1Cl 838513620 JYSKDGBUWUVWTB-OAQYLSRUSA-N 499.976 5.111 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3OC)N(CC(F)(F)F)C2=O)cc1 838521849 HWPZBYNESVDYTQ-IBGZPJMESA-N 495.523 5.007 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1)C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103297 SDEQKDKCLISTJS-YKIYXUSWSA-N 493.698 5.339 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915103971 IPRLKLITBCVVJP-OAHLLOKOSA-N 498.452 5.822 30 20 JKED COc1cccc([C@H](CNC(=S)Nc2ccccc2C#N)c2c[nH]c3ccccc23)c1OC 915996204 ZOVTUKAGXAWITH-NRFANRHFSA-N 456.571 5.175 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1Cl 916209866 SWSOHBQZEKEUDJ-FQEVSTJZSA-N 459.999 5.035 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 916210357 CLVZXPNKAYVEFT-GOSISDBHSA-N 498.407 5.519 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(C2CC2)C1=O)Nc1ccc(F)cc1F 916217314 KHPPJDLTZUMHJB-QGZVFWFLSA-N 469.435 5.106 30 20 JKED C[C@]1(c2ccccc2)NC(=O)N(N=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1=O 916326981 BTNZNGHSJWWWKU-XMMPIXPASA-N 481.339 5.047 30 20 JKED COCc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc2cccc(F)c12 916886390 GFALGYGTZHOCCK-CYBMUJFWSA-N 464.490 5.463 30 20 JKED COc1ccc(-n2c(C)cc(C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)c2C)cc1 916902191 FDYFNUPOXPGLLM-HXUWFJFHSA-N 465.937 5.034 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 916937362 AQNUDUIEMHUXGW-XMMPIXPASA-N 482.492 5.150 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1 916956285 ZLRNBFSLDYOTLL-QVKFZJNVSA-N 465.550 5.644 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cs1 917560047 QIOCQNOICBKKEC-RMKNXTFCSA-N 481.371 6.541 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)CCC3)cc1 917612303 OVFSXDWXNHKOEL-UHFFFAOYSA-O 454.619 5.955 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cccc(C)n2)c1 917666374 APSXSLVEFILLGB-JOCHJYFZSA-N 495.004 5.213 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2)c1 917668559 BTEQWKFHMFWGLZ-DEOSSOPVSA-N 491.588 5.441 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(Cc2csc3ccccc23)C1=O 917690787 KBLMWUDWPBYECN-SFHVURJKSA-N 493.532 5.068 30 20 JKED CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cccc2c1OCCCO2 917962051 JVRHIQAUKWLTBO-QHCPKHFHSA-N 478.545 5.315 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCCOC2CCCC2)ccc1Cl 918348972 MKAJVMYJZATRPO-UHFFFAOYSA-N 497.444 5.064 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 918491541 CEFDNISJTXFETD-ZDUSSCGKSA-N 497.951 5.759 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1C 918887888 BVSFYWCYZJAKGV-UHFFFAOYSA-N 495.583 5.400 30 20 JKED CC(C)[C@@H](OC(=O)CSCc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1Cl 919207277 POUSLCHEBIMSAS-HXUWFJFHSA-N 451.375 5.305 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2c[nH]cc2-c2ccc(Cl)s2)n(Cc2ccco2)c1C 919591814 FUIIGVXAIFNIDR-UHFFFAOYSA-N 482.949 5.123 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 919909941 BUCYEVGYEXPNNC-UHFFFAOYSA-N 474.008 5.198 30 20 JKED COc1ccc(-c2nn(CN(CCC#N)CC(C)C)c(=S)n2C2CCCCC2)cc1OC 919944108 SBZDKEUXVFGLHF-UHFFFAOYSA-N 457.644 5.433 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 920107539 DAJUUYDPSXSCAV-APPDUMDISA-N 498.338 5.009 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 920110126 LNQRSPZJFMEOMU-DIFFPNOSSA-N 492.334 5.624 30 20 JKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 920140405 GGMZBLJHVJDLTB-JOCHJYFZSA-N 483.622 5.959 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CSCc3ccc(Cl)cc3Cl)n2)cc1 920140912 DCOFBQAGSCQARN-KRWDZBQOSA-N 458.395 6.098 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@@H]2CCc3cc(F)ccc32)C1=O)NC1CC1 920169297 DURJCFOCAIPZLE-UXHICEINSA-N 491.510 5.132 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(SC(F)F)cc2)s1 920171244 RNJAHSYKVDTQCW-FZKQIMNGSA-N 495.642 5.733 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2ccc(OCC(F)(F)F)cc2)C1=O 920359690 QAUGVMMMRZHPAU-FQEVSTJZSA-N 493.551 5.019 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc(-c2c(F)cccc2F)cs1 920803867 FTFFCKDQQBSHKP-IBGZPJMESA-N 474.488 5.575 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 920870929 VOXUOVGZCNZBGJ-ORAYPTAESA-N 498.407 5.375 30 20 JKED N#Cc1ccc(NCCNC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)nc1 921166192 DTSCICNYSSDMNH-UHFFFAOYSA-N 462.962 5.487 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)COc3c(Cl)cc(Cl)cc3Cl)cc2)CCC1 1786005359 AGDBKZQWLMPIGF-UHFFFAOYSA-N 466.752 5.073 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)Cn4ccc5c(F)cccc54)cc3)CCC2)ccc1F 1786107934 TVNOFEUSUMKAAZ-UHFFFAOYSA-N 498.533 5.168 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)cc2)CCC1 1786138793 MBBMORKDICYLBT-IBGZPJMESA-N 471.642 5.274 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC(F)(F)C3)CCC2)cc1 1786544457 GJCJHVHQSCZQII-PXNSSMCTSA-N 491.579 5.025 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2ccc(C3(NC(=O)C(C)(C)NCCC#N)CCC3)cc2)c1 1788359291 NCDSPMLFEMQDJB-UHFFFAOYSA-N 495.627 5.087 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788648782 QCYABXCASDAFRY-QFQMRYFISA-N 491.638 5.197 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)[C@@H](S)C(C)C)CCC2)cc1 1788669879 GFBGEMIVRLGWNP-QHCPKHFHSA-N 463.603 5.352 30 20 JKED CCCc1onc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1788782720 WZDUIWCFPLNPAJ-SFHVURJKSA-N 470.573 5.624 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)cc2)CCC1 1789294965 BVEWBDJQDKGDTG-UHFFFAOYSA-N 492.448 5.312 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5cnccc45)cc3)CCC2)c1Cl 1789391732 OQWIMECVMSMWAS-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)CC#N)CCC2)cc1)c1cccc(NC(=O)OC(C)(C)C)c1 1789498371 UMRBHQJCCZPALB-SFHVURJKSA-N 476.577 5.185 30 20 JKED Cc1cc(Cl)c(Br)cc1C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1790058850 ZTNRLVNEGQAWCX-UHFFFAOYSA-N 474.786 5.462 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)cc3-n3nccn3)cc2)CCC1 1790097842 XYPLYJKRSICRFM-UHFFFAOYSA-N 471.605 5.316 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc(F)cc3)cc2)CCC1 1790152457 XMQITCLOKPLJCT-LJQANCHMSA-N 488.563 5.436 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)c(C#N)c4)cc3)CCC2)c(C)n1 1790523769 ICAKXYJEEKCSEZ-UHFFFAOYSA-N 484.575 5.019 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3onc4ccccc34)cc2)CCC1 1790903875 SICHQXRUOBTOKU-OUKQBFOZSA-N 471.538 5.076 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)/C=C/C(=O)c5cccs5)CCC4)cc3)c12 1790918211 XWQZEWHUHJKDGA-OUKQBFOZSA-N 499.592 5.425 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CSc3ccccc3[N+](=O)[O-])CCC2)cc1 1791252254 KXNDVQLNMVXZHI-KRWDZBQOSA-N 453.564 5.033 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4Sc5ccccc5[C@H]43)CCC2)cc1)C(F)(F)F 1791302651 RRVPFILGYZXOMV-SLFFLAALSA-N 458.505 5.127 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)c(OC)cc4o3)CCC2)cc1 1791589092 GVGKNAWWTLBWEP-UHFFFAOYSA-N 483.362 5.528 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)/C=C/c3cnc(C)s3)cc2)CCC1)c1ccc(O)cc1 1791959992 GFDQOWHIEODION-JXVRESAISA-N 499.636 5.502 30 20 JKED Cc1nc2ccc(F)cn2c1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792126649 IQMBLAFIGFYKGL-SFHVURJKSA-N 495.558 5.470 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ncc[nH]4)cc3)cc2)CCC1 1792153693 APRRDMDEXDSXNO-DEOSSOPVSA-N 454.574 5.593 30 20 JKED CO[C@](C)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](C)C#N)c1)C2)c1cccc2ccccc12 1792524261 GZFQARJHTPXBHK-BWLMFSAKSA-N 495.623 5.280 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1-c1ccc3ccccc3c1)C2 1793574816 XRIGJJUFECXQQD-OOSCYNTBSA-N 483.612 5.136 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCc1ccnc(-c2cc(C)ccn2)c1 1802724367 PAAFMHGFKWZHKL-OOSCYNTBSA-N 486.660 5.181 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)[C@@H]1c1cccnc1 1803091063 KYLBEWFNYOBKMT-WMZHIEFXSA-N 489.513 5.328 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c4ccccc4n4ccsc24)C3)c1 1803681296 NROYWQMDNJCCQB-MVWVFHAYSA-N 482.609 5.347 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)CC1 1804729473 ALOYIUMKNVJJLS-UHFFFAOYSA-N 491.708 5.238 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3ncc(Cl)cc3Cl)C2)CC1 1804743449 DOBDXVQWNWEDCF-UHFFFAOYSA-N 494.539 5.284 30 20 JKED C=C1CC(C(=O)N2CCCC3(CCN(C(=O)c4ccc5c(Cl)cc(C)nc5c4)CC3)C2)C1 1804780748 VXDZDOIOIOINSC-UHFFFAOYSA-N 451.998 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)Cn3ccc4c(F)cccc43)C2)CC1 1805464229 WKFFJIFOCNHZBG-UHFFFAOYSA-N 453.602 5.004 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CSc4ccc(F)cc4F)C3)CC2)c1 1805929518 GPZQWNTZJAAYBH-IBGZPJMESA-N 497.611 5.229 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC[C@@H](CNC(=O)CCC3CCCC3)[C@@H]2c2cccnc2)cc1C#N 1806208669 DYOVTSOFSJUOIW-CUBQBAPOSA-N 488.632 5.030 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)Cc2cccc(CCCCC)c2)[C@H]1c1cccnc1 1807479104 YWWSPFFLTFLKAV-AOYPEHQESA-N 483.603 5.274 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808829626 WFDBFMDAQPOQNL-VDKIKQQVSA-N 486.641 5.293 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1cccnc1)c1ccccc1 1809030667 OSKRFOZZBZOVGO-YCVJPRETSA-N 490.607 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[C@@H]1c1cccnc1 1809153649 QXQSVYKHFSGDHM-OFVILXPXSA-N 458.606 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]1c1cccnc1 1810171655 FLWUYCJJTZXIFB-PLXFJCCSSA-N 466.025 5.142 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(F)c2)[C@H]1c1cccnc1 1810681522 FMDUUHKBGZVWBQ-DENIHFKCSA-N 457.977 5.186 30 20 JKED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@H]2c2cccnc2)cc1 1811358012 FIQRHXZUUSBAOJ-JNEVVNAJSA-N 484.644 5.074 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCC3)c(F)c2)[C@H]1c1cccnc1 1811391533 QRDYRBBXXHJULV-ZEQKJWHPSA-N 492.639 5.133 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c4c(Cl)cccc34)[C@@H]2c2cccnc2)c1 1812236314 BUFISZDAERXUDS-FNZWTVRRSA-N 497.986 5.030 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@H]1c1cccnc1)c1cccc2c1oc1ccccc12 1812302141 POGMWMNWNIFGEW-HLADLETHSA-N 499.570 5.352 30 20 JKED C[C@H](CC(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1)c1ccccc1 1812732510 GAOGRUOKUIZYFO-PSNDRKBRSA-N 487.003 5.120 30 20 JKED CC[C@H](C)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1815045130 GVLGDSGURCSANT-IFXJQAMLSA-N 461.488 5.042 30 20 JKED Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1F 1815160944 TUQCRXQCJPNSCU-KBMIEXCESA-N 487.579 5.423 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCC2)[nH]n1 1818117549 XDRFTFLZPKCALT-JNCYCUAHSA-N 488.613 5.024 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccoc2C(F)(F)F)n[nH]1 1818209308 KMWLEZDCJQJNHV-KRWDZBQOSA-N 450.461 5.096 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)[nH]n1 1819307458 UXIXPEHSMFERTG-YQVWRLOYSA-N 458.653 5.413 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1819359017 FBAUQJVDVVSENU-KHMHUBCMSA-N 471.586 5.202 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3sccc3Cl)n[nH]2)c(Cl)c1 1819956904 GYNATWLDZPQNJS-KRWDZBQOSA-N 474.373 5.269 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820088029 IQXDNWGDJPGGKC-FQEVSTJZSA-N 489.601 5.172 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)c1Cl 1820220911 HYRHQBRGQMMFNT-SFHVURJKSA-N 486.334 5.347 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@]2(F)Cl)[nH]n1)c1ccc(C#Cc2ccccc2)cc1 1821155170 KVICSGCSUAQJRP-ZYVVXELTSA-N 490.966 5.040 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCC3CCCC3)[nH]n2)c(Cl)c1 1821279022 XUVDVVJTNSAFCZ-NRFANRHFSA-N 453.974 5.211 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C4CC4)cc3)n[nH]2)cc1 1821301880 RBKMKNMZASUMIG-RUZDIDTESA-N 467.573 5.097 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(-c4ccccc4)noc3C)[nH]n2)c1 1821322477 OOVYPUMFKZBXHI-HSZRJFAPSA-N 494.555 5.173 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2Cl)N(C)C)n[nH]1 1821764947 ZZGFQXLOPRETKV-GGAORHGYSA-N 486.060 5.351 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n[nH]1)c1ccc(O)cc1 1822326172 OACFSJMGSLHYJK-YEEIMHOPSA-N 496.611 5.108 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)CC1)C(F)(F)F 1823976563 GYBZFSIULKBFHZ-FOIQADDNSA-N 456.936 5.182 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c1Cl 1823980618 PGUUSGGGZJHYMQ-XMMPIXPASA-N 499.989 5.356 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc4ccccc4n3C)CC2)c1 1824042736 VGRXXHPHOBRDET-PZGXJGMVSA-N 496.655 5.281 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1824507908 RZKQFTITLQJXKE-DVECYGJZSA-N 491.657 5.274 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccnc2Cl)CC1)c1ccccc1 1825086300 NNYQQFFRTQITLN-UIOOFZCWSA-N 492.063 5.094 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCCC2)CC1 1826264066 INODJCZFLRZYSP-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828467747 OVPRXKMXHYJRIS-GOSISDBHSA-N 494.451 5.420 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1828607091 YSQDLDPHAHTESA-QHCPKHFHSA-N 475.589 5.459 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc(C)oc2C(F)(F)F)CC1 1828824659 NXHXLFBMSARIGC-MOPGFXCFSA-N 467.532 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2OC(F)F)CC1 1828829708 MIPRPVCYMQQEKB-UNMCSNQZSA-N 460.565 5.290 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1828830132 LRZBPFFRHIWTQA-BJKOFHAPSA-N 476.583 5.636 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2scnc2C2CC2)CC1 1828903451 BKKFXWMFFZYNKO-QFIPXVFZSA-N 485.770 5.305 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCCn3cccc3)CC2)c1 1829039076 VFCQRAKIBQSYHV-HOFKKMOUSA-N 474.649 5.219 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2OC)CC1 1829071506 QPQNXZWILPIXEP-JOCHJYFZSA-N 461.046 5.574 30 20 JKED Cc1c(F)cccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685428 GEANMGZITJLPOF-QHCPKHFHSA-N 467.972 5.206 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274665 GNXAFWQCPXMVGB-JYFHCDHNSA-N 494.079 5.664 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)CC2)c1 1830581584 UBLAHMLHYVVQFU-RUZDIDTESA-N 495.570 5.026 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830655387 GBBQVNQGFIRZAR-ICSRJNTNSA-N 475.457 5.320 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)c1 1830715658 JDSQINHHPAXGAU-HHHXNRCGSA-N 496.586 5.306 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccc(Br)cc3c2)CC1 1830872466 BIMBGWHZTGCQQK-MHECFPHRSA-N 498.465 5.443 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831727913 POPIMCDAELEZCL-HSZRJFAPSA-N 475.555 5.071 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccccc4)CCC3)CC2)c1 1831782131 LXOOSXTZGXHCAC-AREMUKBSSA-N 473.592 5.053 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 1831859122 CARLPQWPXKTHNI-IBGZPJMESA-N 471.798 5.051 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3ccoc23)CC1)c1ccc(O)cc1 1831925719 JEKIHLFQNZCDLD-LEAFIULHSA-N 498.623 5.569 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1 1832030373 NYCULTHYUMRNIW-HSZRJFAPSA-N 459.030 5.166 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1 1832629225 MCNAEPSCMVQRLG-XTPHCPMCSA-N 487.566 5.280 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1 1832631041 QXXRDDNEOSSLCS-PGRDOPGGSA-N 475.555 5.280 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635070 SRAVIYFLRPQXCX-FNZWTVRRSA-N 489.660 6.060 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)c3cccs3)CC2)cc1C#N 1832704237 JOBBEYZSHIXNOW-RDPSFJRHSA-N 493.673 5.444 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)CC2)CCC1 1832785928 METFGIXAUOTHOE-SANMLTNESA-N 495.627 5.157 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)Cc3cccc(CCCCC)c3)CC2)CC1 1836346628 FZRUFKHXSSLVML-GDLZYMKVSA-N 493.736 5.302 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C)c4ccccc4n3)CC2)CC1 1838234526 CKLYIQYRJDWCPZ-UHFFFAOYSA-N 477.649 5.148 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1ccc3ccccc3c1Br)C2 1844203654 BAKPSEGVFJVDPR-IBGZPJMESA-N 467.407 5.188 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC4(CCCN4C(=O)c4cc(C#N)c[nH]4)C3)cc2)cc1 1844796469 AJXVJGGWDOVLLS-UHFFFAOYSA-N 466.585 5.027 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(OC)cc1)=C(/S)Nc1ccc(SC(F)F)cc1 11114559 SSVRYESIWLCEHN-UHFFFAOYSA-O 473.590 5.911 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2cccc3ccccc23)cc1 11126770 VVACAFLSHDPGCT-UHFFFAOYSA-O 475.584 6.754 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 11159512 VELHATWBAZUQOK-UHFFFAOYSA-O 487.476 6.521 30 20 JKED Cc1oc(NC(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c(C#N)c1C 11237340 OKSMZAYQXBSCIK-UHFFFAOYSA-N 459.889 5.432 30 20 JKED C=CCn1c(SCc2nc3cc(-c4ccc(OC)cc4)sc3c(=O)[nH]2)nnc1-c1ccccc1 11321172 NCNMETWUKJXUAJ-UHFFFAOYSA-N 487.610 5.397 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2scc(-c3ccccc3)c2c1=O 17652908 RVPQGONTWYIBPO-AWEZNQCLSA-N 478.624 6.276 30 20 JKED N#Cc1ccccc1CSCCNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 18704649 UNLRNSLJVMRLSH-XMMPIXPASA-N 478.017 5.122 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 22730664 UPSAUQYPUNCGOI-UHFFFAOYSA-O 465.642 5.910 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)cc1 23602026 CIJMZHRSZBBTFH-LJQANCHMSA-N 460.603 5.248 30 20 JKED COc1ccccc1-c1n[nH]c(/N=C(\O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 78960750 FEHUNTXTZLFFRP-UHFFFAOYSA-N 495.499 5.072 30 20 JKED C=CCn1c(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)nnc1-c1ccccc1OC 102283297 DOUTVQCFSOAHRA-XQNSMLJCSA-N 460.603 5.112 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 107831974 FLBDDLWGFUSURJ-QHCPKHFHSA-N 499.920 5.664 30 20 JKED CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 138705364 MFQTUIVPFBDTDK-UHFFFAOYSA-N 454.317 5.103 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)nnc1-c1cccc(C)c1 302952304 KKIQLNVAHIDUEK-VWLOTQADSA-N 486.666 5.767 30 20 JKED CCOc1ccc([C@H](CNC(=O)CSc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 303136253 CEHYKOQBKUHMLS-QHCPKHFHSA-N 485.609 5.487 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 480074450 USDWIPQSNGBWSK-UHFFFAOYSA-N 455.562 5.813 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 483746194 OFFPNBWLSPKIBX-UHFFFAOYSA-N 484.537 5.803 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3occc3CN3C(=O)Cc4ccccc43)c2)c1 484620705 HBWRAWBPHOWWRS-UHFFFAOYSA-N 463.493 5.072 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)nc(O)c2c1C 487383398 CRCKCZQIAALHSD-AWEZNQCLSA-N 495.655 5.193 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)ccc3I)s2)cc1 487415781 GICXPISKCXHPRZ-UHFFFAOYSA-N 479.730 5.116 30 20 JKED CN(C(=O)c1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1)c1ccccc1 496657022 GIIRUFHXMFUPGD-UHFFFAOYSA-N 463.562 6.238 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 501167065 CISCEIJGOKRMAF-UHFFFAOYSA-N 481.531 5.179 30 20 JKED N#CCCN(Cc1ccccn1)C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 505169486 NXRWPXMJCHOZHG-UHFFFAOYSA-N 456.398 6.237 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 506100819 IYULQZPYKVFGRQ-INIZCTEOSA-N 472.998 5.208 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)cc1 508272681 IXHXMCNAOQKQCC-UHFFFAOYSA-N 478.552 6.031 30 20 JKED C=CCN(C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 508852480 LKRXMXMFAVSMNX-UHFFFAOYSA-N 482.606 5.103 30 20 JKED CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccccc4SCC#N)o3)cc2C1 509948984 NKURYXOBEOXROP-INIZCTEOSA-N 498.699 6.296 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)s2)cc1 510159728 JOEQPYZWZOBDEA-OAQYLSRUSA-N 475.574 5.752 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 513979514 FLJLSXPALBEIIV-UHFFFAOYSA-N 478.527 6.184 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)n1 517926263 QUXRFLCHKZYVEW-SFHVURJKSA-N 473.558 5.111 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 518128047 OFLWNFXNDIRCKS-KRWDZBQOSA-N 478.643 5.494 30 20 JKED Cc1sc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)nc1-c1ccc(Cl)cc1 518166101 VGXFGJCXDYBGLG-CQSZACIVSA-N 457.024 6.345 30 20 JKED N#CCc1cccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c1 519939300 YBBRROYSVLEVOP-UHFFFAOYSA-N 451.401 5.331 30 20 JKED COc1ccc(COCc2cccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2)cc1 520049829 PUZSHZKLCSHPFQ-UHFFFAOYSA-N 484.600 5.023 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 520939475 YCDNMBLKHUJUOM-HNNXBMFYSA-N 454.983 6.287 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 521326744 DTCSDFJHRHDBGE-INIZCTEOSA-N 494.414 6.348 30 20 JKED CCC[C@@H](C#N)NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 522583910 BGCWSEBLGLXMCS-DEOSSOPVSA-N 496.032 5.153 30 20 JKED C=CCc1cc(CNC(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)cc(OC)c1OC 522664300 QPORIUHPNLKWCW-QGZVFWFLSA-N 451.592 5.425 30 20 JKED C=CCN(C(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1)c1nc2c(s1)CCCC2 589289243 IRRADVBBXCOVPL-UHFFFAOYSA-N 474.626 5.955 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590331748 ITTQXVRMMKXVCF-IYBDPMFKSA-N 478.408 6.308 30 20 JKED CCOC(=O)c1ccc(C#N)c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)n1 591613524 DONSSNWSBGTETO-UHFFFAOYSA-N 488.594 5.446 30 20 JKED C[C@H](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)Nc1sc2c(c1C#N)CCCC2 603727867 RYWHPOQGMVRDLP-OAHLLOKOSA-N 480.659 5.694 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc2cc(Br)ccc2c1 603756375 UECQNROMZHXLGJ-UHFFFAOYSA-N 488.341 5.987 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(OCc4ccccn4)cc3)cn2)c1 603829104 IMQUPUCWOPOJOY-UHFFFAOYSA-N 451.486 5.041 30 20 JKED Cc1nc(SCC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2c(C)c(C)sc2n1 604003535 IIEPQRHGYAJONO-UHFFFAOYSA-N 488.638 5.992 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c3cnn(C(C)C)c3n2)c(C)o1 604241682 HMFDHNBWBCXEGO-UHFFFAOYSA-N 492.539 6.200 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 604363618 ZQDUTCHFYHCFDL-UHFFFAOYSA-N 453.340 5.179 30 20 JKED Cc1nc(-c2ccccc2)sc1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 609006076 YCGSYESDUMJFMH-UHFFFAOYSA-N 468.538 5.037 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCC1(c2ccccc2)CCCCCC1 609012243 FHUWTJMBAATPLO-UHFFFAOYSA-N 468.557 5.092 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1-c1ccccc1F 609062793 GSGTZFMKEARRED-UHFFFAOYSA-N 460.896 5.676 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)c1 609434468 NZDLGBRIMPBCTB-UHFFFAOYSA-N 465.513 5.105 30 20 JKED CC(C)Cn1nc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc2c1=O 613347315 ZAJLCXANDUTFRY-SFHVURJKSA-N 497.407 5.973 30 20 JKED COc1cc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1OC(F)F 613383822 VUOXGFDRGYKHRD-RKDXNWHRSA-N 450.326 5.328 30 20 JKED O=C(Nc1ccccc1Oc1cccc(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618542366 GDPFLBLXNGTSJD-BETUJISGSA-N 450.354 6.213 30 20 JKED O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 619946058 IEKRKOGJFIXNAA-FICVDOATSA-N 479.396 5.722 30 20 JKED O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620311951 MJWNZFKNIYOVCT-QZTJIDSGSA-N 499.430 5.810 30 20 JKED O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 622519097 POTAKEBVWPKOFC-UHFFFAOYSA-N 471.323 5.100 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3CS(=O)(=O)c3ccccc3)n2)cc1 642281264 UHFRFVLNNRDGKU-FQEVSTJZSA-N 462.552 5.176 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F 642282314 CKFGKZDKJHZPDS-INIZCTEOSA-N 452.486 5.819 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2cccs2)C1=O 726109086 NNHPSEDTOXNSFX-BPMVYWJCSA-N 499.061 5.176 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@H](C)c2ccc(C)s2)cn1 726117335 XIYSSMLWGNOMRZ-IERDGZPVSA-N 497.646 5.003 30 20 JKED Cc1ccc2c(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c[nH]c2c1 726144435 ZFCQGWDZJOCUGW-UHFFFAOYSA-N 454.477 5.595 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 726395725 BCFKKMSYZPONKD-BFUOFWGJSA-N 481.952 5.004 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3cscn3)C2=O)cc1 726404930 ASQUVWYKAYYCNB-FQEVSTJZSA-N 496.017 5.137 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N/[C@@H](C)c1cccs1 726418846 FTZJVFGMOLSYAN-JCPNLMEESA-N 481.643 5.328 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CC(F)(F)F)C2=O)c1 726422587 XKIMDGRZZSWHFD-QAXMDKDLSA-N 469.554 5.317 30 20 JKED N#Cc1ccc(NC(=S)/C(=C(/O)c2cc3ccccc3o2)[n+]2ccc3c(c2)CCCC3)cc1Cl 726570942 OFGPGNPKGQTNKL-UHFFFAOYSA-O 487.004 6.447 30 20 JKED O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2c(-c3ccccc3)nc3sccn23)cc1 727058828 XKFNFVJYKLHWRE-UHFFFAOYSA-N 473.583 5.310 30 20 JKED COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 728031782 BSJRTEOMFVLJJS-VGOFRKELSA-N 485.540 5.001 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 728423942 YNHZPXKIMAVDPI-MHECFPHRSA-N 499.596 5.073 30 20 JKED COc1ccc(-c2nn(CN3CCC(Oc4ccc(C#N)cc4)CC3)c(=S)n2CC(C)C)cc1 728903032 HEZKFBDKPPSWDX-UHFFFAOYSA-N 477.634 5.118 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 729633234 CLBJJFPQCGQCRQ-QFIPXVFZSA-N 489.988 5.076 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1 730688520 XYAGHPVHGFTPMW-IBGZPJMESA-N 453.514 5.476 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 730944220 TXTPNWFMOMQKNO-YCRPNKLZSA-N 482.968 5.596 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 731029164 XRQQXHNFUNXEHR-WOJBJXKFSA-N 472.614 5.480 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(CCc3nccs3)C2=O)cc1 747598333 ATYUPMABLBTIBC-OAQYLSRUSA-N 494.642 5.053 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cccc3cccnc23)C1=O 750912411 WOCHQDTWCKBVFK-DEOSSOPVSA-N 480.593 5.170 30 20 JKED CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1CC(=NNc1ccc(C(=O)O)cc1)c1ccccc1 751321367 HAITUIYJJBFKNO-FULLSBAXSA-N 471.601 5.568 30 20 JKED Cn1cc(C=NNc2nc(Cl)c(Cl)cc2Cl)c(-c2ccc3c(c2)OCCCO3)n1 767823530 NEXDWPULYDJIBP-UHFFFAOYSA-N 452.729 5.050 30 20 JKED CCOc1ccc([C@H](CNC(=O)/C=C\c2ccccc2C#N)c2c[nH]c3ccccc23)cc1OC 799834582 GQFIGLZBALCNII-ANVLDHPDSA-N 465.553 5.408 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3ccccn3)C2=O)cc1 837301977 NQFYEJJZVXZTCW-SBUREZEXSA-N 492.576 5.341 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1ccccn1 837302539 XXIQYJXNGSXWQM-HTAPYJJXSA-N 462.550 5.251 30 20 JKED CCc1ccc(C=NOCC(=O)Nc2c(Br)cc(C)cc2Br)cc1 853972629 AHQURBSDZBHLQX-UHFFFAOYSA-N 454.162 5.072 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N2C3CCC2CC3)ccc1Cl 862901181 JHNVDLSZOMGHNL-UHFFFAOYSA-N 498.954 5.507 30 20 JKED C[C@@H](CCO)n1c(C(F)(F)F)nc2cc(NCc3cc(C#N)ccc3Br)ccc21 864039534 GLTZQBXSFWRGME-LBPRGKRZSA-N 467.289 5.245 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(O)Cc1cccc2ccccc12 901371959 YYRUPIXMDMNQJE-UHFFFAOYSA-N 450.947 6.147 30 20 JKED COc1cc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OCc1c(C)noc1C 914517724 MEATXPWPSNIKBE-ACCUITESSA-N 473.573 5.449 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)cc1 914548082 ZWOPOECQXJCGCR-DVECYGJZSA-N 472.614 5.043 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694395 JAFHJBXQNQQKPA-VGOFRKELSA-N 465.550 5.319 30 20 JKED CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102644 BTIYRSUURONAMR-RXVVDRJESA-N 497.407 5.522 30 20 JKED CC(=NNc1ncnc2cc(-c3ccc(Br)cc3)sc12)c1ccc2c(c1)CC(=O)N2 915955515 FOFJVODYHOUAIO-UHFFFAOYSA-N 478.375 5.452 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(C)c2)cc1 916204807 CDPYKODXTJULBI-QHCPKHFHSA-N 477.561 5.303 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)c1 916205112 GTMYRXRGCQXYAH-VWLOTQADSA-N 496.592 5.404 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C)cc2)c1 916205749 LGAINJYLEMWHLL-HSZRJFAPSA-N 477.561 5.303 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(Cc3ccco3)C2=O)cc1 916209313 JRJGCTRRWCSKEZ-NRFANRHFSA-N 481.961 5.296 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2)cc1 916209523 MEWVNUAUOADLFX-QFIPXVFZSA-N 481.524 5.134 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1Cl 916211671 NZTTXYPKLVNGTQ-HXUWFJFHSA-N 469.950 5.102 30 20 JKED CN(Cc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916723174 WNDBDCGBJHTFND-AZPGRJICSA-N 478.618 5.097 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1OC 916837479 UKIQTAFNPHSXKI-IRXDYDNUSA-N 493.417 5.065 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 916912735 KEDSPALBXVEROR-QHCPKHFHSA-N 450.498 5.236 30 20 JKED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1OC 916923345 KNTPPFCCBGVVBK-CIGMURNLSA-N 495.000 5.167 30 20 JKED Cc1ccc(C(=O)N[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)C(C)C)cc1 916977204 MRLDQAHDEKHNAU-PZJWPPBQSA-N 451.979 5.403 30 20 JKED C[C@H](Oc1ccc(Cl)cc1Br)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 917046612 LJSPZDVQTKEROV-CABZTGNLSA-N 470.175 6.009 30 20 JKED Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)c2ccccc2)n1 917254834 ZYZDFNFWOAUSAC-XLIONFOSSA-N 459.600 5.288 30 20 JKED O=C1/C(=C\c2ccc3ncccc3c2)CC2(C/C1=C/c1ccc3ncccc3c1)C(=O)Nc1ccccc12 917518243 WUDQQFKZIPWHSL-MFYXSQMNSA-N 493.566 6.503 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccsc1 917695120 RMJXEXYMUAAVJP-FQEVSTJZSA-N 469.563 5.056 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccc(Cl)s1 917704694 XHWHILFTDGNNMH-LJQANCHMSA-N 498.992 5.573 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 919637748 RARUZYWIXTYFRV-VWLOTQADSA-N 458.539 5.334 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 919713915 KSRDEJOZZZEYTL-NHCUHLMSSA-N 464.352 5.640 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 920106366 XWQJLGLACHZEEQ-NRFANRHFSA-N 490.346 6.241 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)s3)n2)cc1Cl 920112084 VQILLCOMJZEISI-SNVBAGLBSA-N 452.344 5.148 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cn3c(COc4ccccc4)nc4ccccc43)n2)cc1 920142085 SDYHGHJQRSJJJB-QFIPXVFZSA-N 489.560 5.487 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O 920170911 PKWCLNOEFJOVOH-FQEVSTJZSA-N 497.960 5.100 30 20 JKED COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 920461909 DXQBKUCELCTPAX-VGSWGCGISA-N 485.540 5.001 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccc(Cl)s3)n2)ccc1Cl 920675674 AWTSJRVPDZJXKG-UHFFFAOYSA-N 480.398 5.591 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnc1-c1cccc(C)c1 920806445 LKSHHKQXAOGYBN-MRXNPFEDSA-N 495.580 5.644 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 920867310 DFNZRVJXCODJHD-BEFAXECRSA-N 494.444 5.545 30 20 JKED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)C2)C1 1781457073 QAJZBTQFINDPHM-LITSAYRRSA-N 494.582 5.097 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)CCCC(=O)OC(C)(C)C)cc2)CCC1 1786161954 CJBRGXDQECRUIS-UHFFFAOYSA-N 454.611 5.401 30 20 JKED CC(C)[C@@H](C(=O)Nc1ccc(C2(NC(=O)/C=N/N3CCCCC3)CCC2)cc1)c1ccccc1 1786182563 YXCRSPXDFSWWNS-BSKSBMDWSA-N 460.622 5.032 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4c3OC(C)(C)CC4)CCC2)cc1 1786366672 SQSDWPIPZARRCM-UHFFFAOYSA-N 476.617 5.521 30 20 JKED Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)cn1 1786941308 RQLGZIYIRRJHHB-LJQANCHMSA-N 452.558 5.008 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)(C)C)oc3C)cc2)CCC1 1787390849 WLPRTRQIYWODEE-NRFANRHFSA-N 452.595 5.206 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(Cl)c3)CCC2)cc1 1787889282 SEJSIZRIYCLTSN-UHFFFAOYSA-N 460.759 5.154 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4c[nH]c5nccc-5c4Cl)cc3)CCC2)c1 1788481166 YNVUUYGCSPSFGZ-UHFFFAOYSA-N 469.932 5.101 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)ccc2c1OCCO2 1788495863 CJTOJBYTTMSRAN-LJQANCHMSA-N 495.579 5.455 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)/C=C/C(=O)c4cccs4)cc3)CCC2)c(C)n1 1788648784 QSDXEKWLNKEARQ-FYWRMAATSA-N 487.625 5.266 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C)sc34)cc2)CCC1)C(F)(F)F 1788944428 HLDVWTUPVGWHAH-UHFFFAOYSA-N 459.493 5.471 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)cc2)CCC1 1790035091 ZNAXHYORZINLRY-LJQANCHMSA-N 469.610 5.672 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4nc3Cl)cc2)CCC1 1790041879 DETVYHSHHUBNNP-GFCCVEGCSA-N 475.948 5.232 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccc(C)cc4)CCC3)cc2)c1 1790073248 ZLRYDHPIGSIERS-UHFFFAOYSA-N 483.568 5.092 30 20 JKED Cc1ccncc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc2)CCC1 1790081924 PJUOYFIZRHJJSF-UHFFFAOYSA-N 472.976 5.296 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccncc4Cl)CCC3)cc2)c1Cl 1790083655 DTCWCLCKNSEVMQ-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc(Oc5ccccc5)cc4)cc3)CCC2)CC1 1790620694 LMCKTEIVZNOFND-UHFFFAOYSA-N 451.526 5.530 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2)CCC1 1790685028 AGKUTGFNSVTLFD-UHFFFAOYSA-N 452.620 5.531 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)CCC1 1790691789 HBBZUKONIMCWDL-UHFFFAOYSA-N 499.611 5.351 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)CCCC(=O)Nc4ccccc4)CCC3)cc2)c1 1790761836 GQKRVKQIDNAGJW-UHFFFAOYSA-N 498.558 5.254 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@H]4C4CC4)CCC3)cc2)cc(C(F)(F)F)c1 1790785353 JAMQEWNYIBAHRB-VXKWHMMOSA-N 467.491 5.371 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4oc(-c5ccccc5)cc4[nH]3)cc2)CCC1 1790948042 SNIWXOOGTACIPB-UHFFFAOYSA-N 497.595 6.158 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3c(C)noc3C)CCC2)cc1)c1ccc(O)cc1 1791641984 ONLHKOMPPNOBPA-QHCPKHFHSA-N 499.611 5.261 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCCc4cccnc4)CCC3)cc2)c1 1792126339 FCXDDIHRYOYIEI-OAQYLSRUSA-N 466.585 5.479 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)cc3)CCC2)c1 1792154777 MYKAHICRHNFSGE-UHFFFAOYSA-N 491.551 5.018 30 20 JKED CC(C)(NCCC#N)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(Cl)cc3F)cc2)CCC1 1792174930 LOGYRCYOSFJDBF-UHFFFAOYSA-N 491.394 5.162 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4csc(-c5ccccc5)n4)CCC3)cc2)CCC1 1792230373 GUPCQFFFOUZBNN-UHFFFAOYSA-N 456.571 5.252 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1)c1cc2oc(-c3ccccc3)cc2[nH]1 1796897779 MTRJNDWIQPASBV-PHUPPOLUSA-N 499.592 5.180 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(OC(F)(F)F)cc1)C2 1798331688 XJYAQYCVHMUYCX-FGMRGBIDSA-N 462.512 5.005 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1798592256 BTQKOWCZGXZCPI-BKFWDETESA-N 469.629 5.851 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)n2ccccc12 1799099538 VQRZBZRHKOLQCB-BKFWDETESA-N 469.629 5.851 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c(Cl)cc1F 1800626486 RHXJIRUDZYLASW-QDMKHBRRSA-N 485.825 5.486 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 1802068374 DYNJNFGTPKUEGG-WIYBCGNWSA-N 473.455 5.183 30 20 JKED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1802297051 LYIJWQDFJASTRU-DQEVTTJGSA-N 478.536 5.068 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1802501360 MGXCKXAWTSBPRR-QPPBQGQZSA-N 487.566 5.341 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(Cl)c(Cl)c2)cc1 1803899338 FZQYMBQDBAXEAX-BCDXTJNWSA-N 476.791 5.278 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1804177041 SSSPLPWOJOJXFU-CUBQBAPOSA-N 485.653 5.296 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3c(Cl)cncc3Cl)C2)CC1 1804733815 FBWWYYQYBMMLMD-KRWDZBQOSA-N 450.410 5.002 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[C@@H]1c1cccnc1 1805059825 DHXDSHWSYASGAP-GJZUVCINSA-N 488.607 5.528 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1809277127 XTOFODNRHQWPTG-NVQXNPDNSA-N 470.617 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1810501561 BBIVUXWSXFQWBG-SQHAQQRYSA-N 482.628 5.456 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)CCC2CCC2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811245282 URXDIRYOQUJNHE-SMCANUKXSA-N 491.635 5.381 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1811538769 NWYWGYNVKXHPTJ-VAVYLYDRSA-N 465.597 5.180 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3c(Cl)cccc3Cl)[C@@H]2c2cccnc2)c1 1811714509 DIZOEMUXKZPMCA-DVECYGJZSA-N 493.394 5.202 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@H]1c1cccnc1 1811719040 QNTYZZSVVAFATJ-QGDZQMKYSA-N 489.641 5.148 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)CC1 1812787500 NJBBHAHNXMOQAD-RFEOYDEGSA-N 493.051 5.533 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1813062504 YJCVDCAQBCPLKK-SQJMNOBHSA-N 466.025 5.219 30 20 JKED Cc1cc(Cl)ccc1C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1813864235 XLYRZTLHOYNBKR-CNPGNWEMSA-N 487.003 5.304 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(Cl)cncc3Cl)n[nH]2)c1 1814366988 PAPZKUHTVMZRTE-VLIAUNLRSA-N 497.386 5.358 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)cc1 1814379394 UXOBOILAOREIAT-QFIPXVFZSA-N 495.505 5.239 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@H](S)C(C)C)n[nH]3)cc2n1 1815244352 XHRXCNGQOYTPBI-IFMALSPDSA-N 486.041 5.180 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](S)C(C)C)n[nH]2)cc1Cl 1815247103 WKULNJOFPCBKPY-NQIIRXRSSA-N 479.046 5.111 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(C)noc2CCC)n[nH]1)c1ccccc1 1818278246 WJPGWOCZZLSFHM-FYYLOGMGSA-N 487.604 5.162 30 20 JKED Cc1ccc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)ccc2c1 1818527627 JLRSYLRJAHHMNC-AREMUKBSSA-N 492.583 5.077 30 20 JKED Cc1nc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)[nH]n3)c2s1 1818534276 UHOYVDRMOJVACH-HSZRJFAPSA-N 498.612 5.138 30 20 JKED O=C(Nc1cc([C@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1cccc(C(F)(F)F)c1F 1821088578 AVEIBBZHEDETOX-CQSZACIVSA-N 492.395 5.216 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2CSc2ccccc2)n[nH]1 1821264794 IZNSMPYFSCPNIS-QHCPKHFHSA-N 460.603 5.584 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4sccc4s3)[nH]n2)c1 1821324986 NZYTYKZIUWJYHW-SFHVURJKSA-N 475.599 5.486 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3[nH]2)[nH]n1 1821921430 PULJPVUBWVTVEJ-VLIAUNLRSA-N 484.398 5.172 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)[nH]n1 1821988266 SDMXUIXSIAAWTG-MZEUMTGBSA-N 493.352 5.089 30 20 JKED Cc1cc(Cl)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1823192018 WSZUGEDPISSKNS-GAJHUEQPSA-N 475.980 5.618 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823216760 NRSHJXSEFORUGB-NBGIEHNGSA-N 469.589 5.284 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823291079 JNSXTFHCNPWRRO-QHCPKHFHSA-N 489.551 5.136 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cc(Cl)ccc3Cl)[nH]n2)CCC1 1823381107 YLRRUCLGTDPLGH-IBGZPJMESA-N 474.392 5.035 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCc4ccc(C#N)cc4)CC3)c2[nH]1 1823682881 GGFYRUCGFVCKON-HHHXNRCGSA-N 482.628 5.214 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 1823751388 SIDPBBIFHPEKEA-DEOSSOPVSA-N 484.681 5.249 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC(F)(F)CC3)CC2)c1 1824329177 RSPWDERJMXOHKE-NTKDMRAZSA-N 471.592 5.372 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1)c1ccccc1 1826310143 JOKLZKNLBIGQCR-IZLXSDGUSA-N 471.645 5.304 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSc3ccccc3)CC2)c1 1826524100 VRTSWDODOHGYOH-RLWLMLJZSA-N 475.658 5.339 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)c1 1826569270 BECOZUACWITSDY-VWLOTQADSA-N 481.999 5.217 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827336474 ITPPHPBXNLFYSU-DEOSSOPVSA-N 481.587 5.502 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nn2-c2ccccc2)CC1 1827711954 MCRTWGRDTVNLJA-FTJBHMTQSA-N 474.649 5.182 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2csc(Br)n2)CC1 1827920768 SICIRGBGLMIRRV-GOSISDBHSA-N 482.488 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828414763 IQFYVDXIJXFKES-GBXCKJPGSA-N 456.593 5.516 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828509744 OUQJLJKEYJOOEP-RUZDIDTESA-N 469.576 5.448 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccc3s2)CC1 1828553822 NBQOJVOGUWCNNX-INIZCTEOSA-N 452.592 5.408 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828741831 USWXMJRWAULNOB-IFMALSPDSA-N 462.059 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828828875 UBNVGWBAKVXKAO-RDPSFJRHSA-N 468.041 5.823 30 20 JKED CCCc1onc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829690097 KKGLZABNAPGENV-OAQYLSRUSA-N 483.012 5.008 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1830274698 HWQRLUMCZFSDPC-GRWTVWFQSA-N 488.097 5.179 30 20 JKED C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830360153 GVOGPTSQINBTHM-KDYSTLNUSA-N 475.608 5.053 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4sccc4c3O)CC2)cc1 1830632199 DICRAUKBWLARQP-DEOSSOPVSA-N 487.625 5.220 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830632410 KTOXWHKADLGKRJ-MHZLTWQESA-N 473.617 5.089 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)cc1C 1830672860 GQEVWMKBVIICFS-HHHXNRCGSA-N 487.644 5.050 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Br)c2CC)CC1 1830686522 HCJOALBECQXIPW-JOCHJYFZSA-N 493.511 5.164 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1831446025 RRWMTTWLXMPOGB-HXUWFJFHSA-N 477.983 5.574 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1831446191 GJFTUICUPFEKBJ-QFIPXVFZSA-N 490.982 5.175 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCC(F)(F)F)CC1)c1ccc(O)cc1 1831925227 ZTTQAPKTTMOQOJ-ISKFKSNPSA-N 492.582 5.242 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)c1 1832633417 HSZDPTMRARGQIX-VHFRWLAGSA-N 473.617 5.014 30 20 JKED COc1cc(F)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635611 LHWQFDBOLDJTJR-UQBPGWFLSA-N 477.580 5.008 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1836696076 HWUJNIJBSBAOKZ-NEKDWFFYSA-N 480.693 5.583 30 20 JKED CC(C)c1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)CC2)cc1 1838600166 FKWXZKSPJNUFIA-QFIPXVFZSA-N 487.644 5.363 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1)C2 1844203998 YJRQZPLKTZSROJ-GOSISDBHSA-N 465.421 5.366 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nc2sc(C)c(C)c2c1=O 10339614 NLQZPSOCXGPDKF-INIZCTEOSA-N 488.704 5.564 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCCCC2)nc2scc(-c3ccc(C)cc3)c2c1=O 11019413 SXPYVPJOUZXSJH-QGZVFWFLSA-N 453.633 5.113 30 20 JKED Cc1cccc(C)c1N/C(S)=C(\C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(C(C)(C)C)cc1 11153616 PRVHCXSWXQUAPD-UHFFFAOYSA-O 459.679 7.063 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccc(C)o2)CC3(C)C)on1 17992451 LWHUMHWHLDOFQU-SOFGYWHQSA-N 477.542 5.391 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1cccnc1 18404888 DOEXDQMQVKXMOQ-QFIPXVFZSA-N 457.559 5.007 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 21170602 NLMOTEKLBGLWMK-XDHUDOTRSA-N 468.026 5.182 30 20 JKED C=CCn1c(SCC(=O)c2ccc(OC)c(Br)c2)nnc1-c1cccc(C)c1 24176317 BQKKYNFEKFXPKX-UHFFFAOYSA-N 458.381 5.186 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 25512213 HUAJYGCGXARNER-VMPITWQZSA-N 454.857 5.170 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(Cl)c2)cc1 28793641 VHZXRWFECZCEMV-UHFFFAOYSA-O 497.084 6.730 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3Br)o2)ccc1Cl 29377702 TYEPIDDIBGKWDY-UHFFFAOYSA-N 491.798 5.500 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C#N)n1-c1ccc(C)cc1 29832247 KPMZPQIRYGREIV-GOSISDBHSA-N 469.570 5.242 30 20 JKED C=CCn1c(C)nnc1SCC(=O)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 35767109 HOHBSMOPYIZCSF-UHFFFAOYSA-N 471.070 5.516 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(OC)cc3OC)n2)nc2cc(Cl)ccc2c1=O 36729249 DDNUNNWGWIYGPF-UHFFFAOYSA-N 486.018 5.669 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCOc1cccc(Br)c1 46879886 CGGOJGSFWPAMPK-UHFFFAOYSA-N 466.335 5.614 30 20 JKED Cc1ccc(NC(=O)CSCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 107646581 LZVULLPBJROSLY-QFIPXVFZSA-N 463.990 5.614 30 20 JKED CCN(CC)c1nc2sc(C(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cc2s1 109369102 KDGAIKVBZVPDHS-HNNXBMFYSA-N 468.629 5.826 30 20 JKED N#Cc1cccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c1 195691643 QAFMKVMYCHVXMN-UHFFFAOYSA-N 471.358 5.032 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 302937188 IRZQUYVOBGFGQT-QFBILLFUSA-N 489.066 5.602 30 20 JKED Cc1nc(SCC(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c(C#N)c(C)c1C 480803430 GTDSANILMSUJMU-IBGZPJMESA-N 473.602 5.492 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 480842580 QLNLIKRHNGAIQU-OAQYLSRUSA-N 486.591 5.807 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N(Cc3ccc4ccccc4c3)C3CC3)cc2F)c1 481250334 JDUDHGROLFSABL-UHFFFAOYSA-N 493.538 5.559 30 20 JKED C=CCn1c(SCc2coc(-c3ccc(F)c(F)c3)n2)nnc1[C@H]1COc2ccccc2O1 483240972 PLYOTIPRESGOLI-HXUWFJFHSA-N 468.485 5.202 30 20 JKED N#Cc1cn(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)c2ccc(Br)cc2c1=O 502828682 QZNRKFBVQCXUGO-UHFFFAOYSA-N 476.117 5.041 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 505147636 BXEFXZCOQZKTMP-IBGZPJMESA-N 462.640 6.080 30 20 JKED COc1c(Cl)cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1Cl 506327793 MCDQRRKXSRADCE-UHFFFAOYSA-N 486.380 5.857 30 20 JKED CCC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1nnc2ccccn12 506333989 VHSSCZYBSQGIMP-QHCPKHFHSA-N 454.534 5.037 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 510745761 KUKLBHGOCNDRTM-UHFFFAOYSA-N 460.509 5.149 30 20 JKED Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)c1 511359842 LGFGSGYYGLGPHL-OAQYLSRUSA-N 455.558 5.107 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 511937265 FNXAXZUYQSUCSL-UHFFFAOYSA-N 469.511 5.141 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 513187250 WWDSWILTEFKRSV-HXUWFJFHSA-N 465.431 5.928 30 20 JKED N#C[C@H](C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 513676665 ITZMGBUQSSTTPA-LJQANCHMSA-N 496.567 5.908 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 514424721 YEPHTPQUOYWPML-UHFFFAOYSA-N 491.576 6.246 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 514430777 CQNRVSRDFQFIRV-UHFFFAOYSA-N 479.968 5.003 30 20 JKED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 516734580 UMXKSRIYGRRJIX-UHFFFAOYSA-N 496.489 5.503 30 20 JKED N#CCCSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 517434796 ZOLAVWZRYDFXIR-UHFFFAOYSA-N 465.316 5.274 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(-c2cccnc2)no1 517890302 KMXOZAIVFOZXIU-QFIPXVFZSA-N 454.490 5.314 30 20 JKED COc1cc(Br)c(CNCc2cccc(OCc3ccccc3C#N)c2)cc1OC 518275300 DBHRLRCLNSGJJL-UHFFFAOYSA-N 467.363 5.207 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCN(CC(F)(F)F)C3)cc2Cl)cc1 518461024 RRAWMVLXNKLOST-OAHLLOKOSA-N 452.864 5.010 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 518683662 ZKXPUJCTRCGCRG-SJLPKXTDSA-N 465.554 5.539 30 20 JKED C=CCN(C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518753688 YEWMWKNIGTUTHX-ZDUSSCGKSA-N 495.303 5.225 30 20 JKED C=CCn1c(SCC(=O)Nc2cnn(C(C)(C)C)c2)nnc1-c1ccc(Cl)cc1Cl 518768849 GGUUKOYFORHURD-UHFFFAOYSA-N 465.410 5.120 30 20 JKED N#C[C@H](C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc(-c2c(F)cccc2F)cs1 518870759 IBNZSUKZAROEIY-OAHLLOKOSA-N 485.313 5.527 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 519433823 DGQQCRGXJVZGFN-UHFFFAOYSA-N 491.926 6.075 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(OCc2cccnc2)cc1 520668307 FLQQUGKQOGCZAH-HXUWFJFHSA-N 492.535 5.140 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 521257169 CSTSATRFBCUNQA-HNNXBMFYSA-N 493.511 5.219 30 20 JKED N#CCCN(C(=O)CCC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 521309473 OKWRBKDTPFCQKV-RUZDIDTESA-N 459.977 5.467 30 20 JKED O=C(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)[C@H]1CCC[C@@H](C(F)(F)F)C1 522062260 OSDCOEISOLGLJG-VHSXEESVSA-N 486.409 6.320 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 523277382 DEIKAKPGQLGWSN-JOCHJYFZSA-N 482.515 5.346 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(C)cc1 524431301 DDOFFOKEVXQCSK-HSZRJFAPSA-N 461.949 5.305 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(Br)cc3Cl)cc2F)c1 524461092 ICKYVLFFISSJSW-UHFFFAOYSA-N 459.702 5.945 30 20 JKED CC(=O)N1CCc2c(sc3nc4c(c(-c5ccc(C)cc5)c23)C[C@@](C#N)(c2ccccc2)CC4)C1 542515705 WSQWJUYTZSBNNJ-PMERELPUSA-N 477.633 6.127 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 587788424 DHBJJQANLCHDHT-HIFRSBDPSA-N 484.318 5.354 30 20 JKED C=CCN(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459277 IUOQRKDPCWRFNY-UHFFFAOYSA-N 487.463 5.306 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 603707460 ADDWUYGCGKLDBP-UHFFFAOYSA-N 496.498 5.240 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c(C#N)c1C 603728869 ULJWRVFVWUHOIF-UHFFFAOYSA-N 467.595 5.289 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 604003658 KJZGXMSCOCLRPX-FGZHOGPDSA-N 450.460 6.093 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2cccc(Cl)c2Cl)cc1Cl 604145962 RWUIBZZKLZGSTR-IBGZPJMESA-N 486.786 5.600 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 604465834 AJWZBWNMHDXTBN-FQEVSTJZSA-N 475.376 5.279 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](CC3CCCCC3)c3ccccc3)cn2)c1 608798888 CHCFYAXQSVMFCR-RUZDIDTESA-N 468.557 5.512 30 20 JKED CC(C)[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 608810498 KJANYSHTGGKMCS-OAQYLSRUSA-N 486.494 5.555 30 20 JKED N#Cc1cccc(COc2ccc(NS(=O)(=O)c3sccc3Br)cc2Cl)c1 609068573 LBTWLIHERHRGMH-UHFFFAOYSA-N 483.796 5.415 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C 609073138 QRCZPCMDFBXFLT-MHZLTWQESA-N 469.585 5.537 30 20 JKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 609073168 VQDXFILOOBITID-UHFFFAOYSA-N 457.921 5.119 30 20 JKED C[C@H](SCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc2ccccc2[nH]1 609103872 GLCAWROOYHSXHY-INIZCTEOSA-N 460.534 5.586 30 20 JKED CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCSc2ccc(Br)cc21 609175744 ZUYFXATVHSXKRO-LJQANCHMSA-N 454.393 5.627 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCN(c4ccccc4Br)C3=O)c2)cc1 609177155 KKOBWCSQUYLZDJ-HXUWFJFHSA-N 476.330 5.105 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)c2)cc1 609206160 BPAVKCSXFWIHSY-UHFFFAOYSA-N 493.567 5.793 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cc(I)cc(C(F)(F)F)c1 609375366 MAMYGDYNXHJHFK-UHFFFAOYSA-N 476.261 5.568 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1nnn(-c2cccc3cnccc23)c1C 609407373 NDZSVMBRSCHONP-UHFFFAOYSA-N 476.515 5.290 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)n(Cc2ccccc2)c1C 611169147 RGLAYHHBPHMORO-GOSISDBHSA-N 485.613 5.485 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3c(C)noc3C)n2)cc1 613314654 RVTIPUBWGDMHJB-HXUWFJFHSA-N 459.596 6.506 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)cs2)cc1 613403878 HTRKGZGWVZCQII-AWEZNQCLSA-N 459.474 5.937 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)nc2sc3c(c2c1=O)CCC3 613900313 MDQKGADLOBUOSA-OAHLLOKOSA-N 479.627 5.191 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 615519051 IFZHAECQYDHYKP-UHFFFAOYSA-N 497.954 5.969 30 20 JKED O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 619946548 MFBBTPMZRKHSFR-KBPBESRZSA-N 465.369 5.285 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cccc3ncccc23)C(C)C)nnc1-c1ccc(OC)cc1 639429417 LOPAOHUTDGVLEL-HSZRJFAPSA-N 473.602 5.443 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)c1cccc(NC(=O)c2ccccc2)c1 642974328 WALSZPCCEANHNM-HXUWFJFHSA-N 493.588 5.216 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cccs2)cn1 726117865 HDPKXQBABLNTNT-IBGZPJMESA-N 488.038 5.087 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CC[C@H](C)OC)C1=O 726397044 GLCHENPJGRQCAL-KKSFZXQISA-N 490.025 5.042 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(Cc3cscn3)C2=O)cc1 726415822 OUIJTPJVNNBBFJ-JOCHJYFZSA-N 494.642 5.399 30 20 JKED CCOc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/[C@H](C)c1cccs1 726420521 INGDOANLNXKJOY-GJUOGHIESA-N 494.642 5.132 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cc(C)sc2C)cc1Cl 726889313 FDEHDTSFBPQUOJ-XCLFUZPHSA-N 492.066 5.388 30 20 JKED N#C[C@H](C(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc2cc(C(F)(F)F)ccc2s1 727628437 LOSNTLOUHVMPND-CQSZACIVSA-N 458.383 6.023 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CCN(CC2CCCCC2)CC1 728120255 YQTOSSVWVSBOND-UHFFFAOYSA-N 460.622 5.612 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)C[C@@H](c2ccccc2)C(F)(F)F)ccc1Cl 728654263 VCFXLLJJYVYJHP-SFHVURJKSA-N 452.860 5.175 30 20 JKED O=C(C[C@H](c1ccccc1)C(F)(F)F)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 728970745 XTCQJWBXCZPSRQ-WBVHZDCISA-N 473.335 5.308 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)c1 730445103 UQHSAMZSNDFZDQ-QHCPKHFHSA-N 476.602 5.111 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(OC)ccc3OC)N(C3CCC3)C2=O)cc1 730461265 AIOYDZMYZAMFIW-HSZRJFAPSA-N 497.617 5.005 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cocn3)C2=O)cc1 730712526 NBZBIQCQFRBKJX-NRFANRHFSA-N 498.992 5.196 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cocn2)C1=O)Nc1cccc(Cl)c1 730714885 HOITZSAVRVXQRN-SFHVURJKSA-N 475.357 5.142 30 20 JKED Cc1ccc2c(c1)[C@H](N1C(=O)[C@@H](CC(=O)Nc3cnccn3)SC1=Nc1cccc(Cl)c1)CC2 730720686 TYCIAZSGVNEHRL-NHCUHLMSSA-N 492.004 5.086 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730942930 ZLWNNQMIEXFKRX-NYHFZMIOSA-N 496.539 5.090 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 730943500 DULDEWLXOQKLRV-KKSFZXQISA-N 498.530 5.822 30 20 JKED Cc1nn(-c2ccccc2)c(Cl)c1CSCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731040299 QLSADYFKOXMDDK-INIZCTEOSA-N 471.051 5.958 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)cc2F)c1 731109358 QUEWDSOXHTWFCQ-SANMLTNESA-N 477.511 5.393 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2c(C)cccc2C)c1 731304206 LRTQYLINXYPDOE-QHCPKHFHSA-N 489.597 5.178 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)cc1 745303009 SOFSSRQCHTVHDE-IAPPQJPRSA-N 493.994 6.034 30 20 JKED CC(C)c1nc(C#N)c(NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)o1 745612046 LLIIYCCUPZJASA-UHFFFAOYSA-N 464.485 5.075 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)Cc1c(C)noc1C 745868148 YGKROKYFQOOKMB-OAQYLSRUSA-N 450.520 5.055 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 750706136 QDULYPWVABNJFU-LJQANCHMSA-N 472.545 5.078 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)c(Cl)cc3OC)C(=O)N2CC)cc1 799220379 ATLZEVVGCJSYTQ-HXUWFJFHSA-N 475.998 5.036 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1[C@@H](C)c1ccccn1 837301973 QUENJFZCLMAZBT-MBSDFSHPSA-N 493.032 6.073 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2[C@@H](C)c2ccccn2)cc1 837835374 GJVNPEHQIGKLGB-FDDCHVKYSA-N 493.032 6.073 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2OC)cc1 838487166 YAHMYYJWHKTGBT-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2F)cc1 838534502 CRLJSONIKNLGEM-QFIPXVFZSA-N 481.524 5.134 30 20 JKED COc1cc(C=NNc2nc(C(F)(F)F)nc3ccccc23)ccc1OCc1ccncc1 912803625 TWVFBPLYMJUOOY-UHFFFAOYSA-N 453.424 5.077 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 914680403 WVQTUGPHGHKLAK-CYBMUJFWSA-N 468.522 5.445 30 20 JKED CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(S(=O)(=O)C2CCCC2)cc1 914693379 CYMGLOCLLUTBKY-UHFFFAOYSA-N 462.497 5.201 30 20 JKED N#C[C@H](C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccccc2s1 915098512 VAFGCNYWPHRFRQ-IRLDBZIGSA-N 455.539 5.010 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H]2c2nc3ccccc3s2)c1=S 915813361 FGONOWZEFJJHGU-LJQANCHMSA-N 451.596 5.810 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)SC1=Nc1ccc(OC)cc1 916215634 WEWBGOXONFQZGM-FQEVSTJZSA-N 475.998 5.036 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C 916216315 SNURKCGFXIZOPT-QHCPKHFHSA-N 461.587 5.145 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(C=NNc2ccc(F)cc2F)cc1OC 916248024 FPABZCUMEGKLAS-UHFFFAOYSA-N 475.879 5.099 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)CCCC3 916288525 JMSPZCQRAXAPGE-UHFFFAOYSA-N 464.478 5.059 30 20 JKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916722487 NKNCCDQQLBDVAQ-JMBSQFONSA-N 477.030 5.158 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 916883340 JLBZXZWPPUPWCL-CQSZACIVSA-N 485.562 6.301 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc(SC(F)F)cc1 916887450 ONMIXQQMLGYOPR-KRWDZBQOSA-N 460.889 5.534 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@@H](C#N)C(=O)Nc4ccc(Cl)cc4Cl)cc3)o2)c1 916928767 SYDFFRVYFZCTJQ-LJQANCHMSA-N 491.334 5.980 30 20 JKED Cc1csc(SCc2ccc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)n1 916944420 DIRNQMLRJQUHJJ-GOSISDBHSA-N 476.410 6.012 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1 916951428 YEHYMIQPLWGCSZ-KPLVRAHFSA-N 497.542 5.001 30 20 JKED N#C[C@H](C(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1nc(-c2ccc(Cl)cc2)cs1 916976943 YAMAJOZKPGTIRO-FPGHNAPASA-N 498.004 5.370 30 20 JKED COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 916997066 PTWKCQGMOIJFEE-LERPRCHQSA-N 459.354 6.024 30 20 JKED N#C[C@H](C(=O)c1cccc(N2CCOC2=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997322 VNWBIYUJPFQFRP-MRXNPFEDSA-N 458.326 5.564 30 20 JKED N#C[C@@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc2cc(C(F)(F)F)ccc2s1 917042274 AILTYLGSVBMDNT-HNNXBMFYSA-N 490.894 6.218 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043296 KDJDLWUBVBHPAC-HNNXBMFYSA-N 474.895 6.012 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(OC)cc2)n(C[C@H]2CCCO2)c1=S 917457681 NWBPNSMOXROPAC-XMMPIXPASA-N 477.634 5.010 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 917707033 IZGPNOUAOPMTHM-DEOSSOPVSA-N 486.597 5.098 30 20 JKED CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 918434831 UVOHCXAFCNRZHF-UHFFFAOYSA-N 476.964 5.105 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1cc(Cl)ccc1Cl 919513892 JLMJFJJTHIZEDI-ZDUSSCGKSA-N 459.285 5.221 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCSc2ncnc3sc(C)c(C)c23)cc1 920109323 CZIHGIFAQCRGDQ-IBGZPJMESA-N 466.632 5.481 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cc(C)on3)C2=O)cc1 920354273 BSAKYSIHDMBMAL-OAQYLSRUSA-N 498.992 5.196 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2cc(C)on2)cc1 920354490 DDCJNPBRXJLYAO-DEOSSOPVSA-N 484.581 5.605 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(F)c(F)c1F 920477887 BUMQOPUYRCEJPU-UHFFFAOYSA-N 452.326 5.861 30 20 JKED Cn1ccnc1[C@](O)(CC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)C(F)(F)F 920863644 TVQIVJSESATSKY-LJQANCHMSA-N 491.363 5.149 30 20 JKED Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C(C)C)n1 921252947 LYQLRMWHDIVHCE-AWEZNQCLSA-N 466.419 5.566 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCOCC(F)(F)F)C2=O)cc1 932788128 JBVIJELEPIYSLG-SFHVURJKSA-N 499.942 5.188 30 20 JKED CSc1nc(O)c(C(=O)N(c2cccc(N3CCCC3)c2)C2CCCCCC2)cc1C#N 1265343219 GSUFBLHEZAIIOP-UHFFFAOYSA-N 450.608 5.351 30 20 JKED CC#CC[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3ccccc13)C2)c1ccccc1 1779477630 HYIDOEFACVJJOR-VDUCXAMOSA-N 494.635 5.165 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CN(Cc3ccco3)C(=O)OCC)CCC2)cc1 1786104255 HEPXHBPSFYWNGC-UHFFFAOYSA-N 493.604 5.141 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc2)CCC1 1786156841 NPXWVTLLGLKIQA-UHFFFAOYSA-N 479.568 5.025 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)CCC2)cc1 1786679257 UZCKPDGDDPGQGB-UHFFFAOYSA-N 488.535 5.020 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)cnc1C 1787009541 BPPGAIJFURZLKD-UHFFFAOYSA-N 458.949 5.285 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)s1 1787059538 CAMMUDRHMCIYDJ-QGZVFWFLSA-N 459.571 5.445 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Cl)cc(Br)c4[nH]3)CCC2)cc1 1787648813 MUUHRHIDGHRJEU-UHFFFAOYSA-N 485.769 5.245 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)/C=C/c4ccccc4N)cc3)CCC2)c(Cl)c1 1788073727 BGQVGGKLBSLFLQ-NTUHNPAUSA-N 470.960 5.255 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789457939 HOXXPDPTMCFQPH-QPPBQGQZSA-N 495.664 5.536 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1 1789491153 BTQXCDBUORZANU-NLPFYKDJSA-N 466.544 5.062 30 20 JKED CCOc1ccccc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)cc(OC)c3)CCC2)cc1 1790240696 BMXBUHAGXREZLF-UHFFFAOYSA-N 469.541 5.027 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC(=O)Nc4ccccc4)CCC3)cc2)cc1 1790286711 BRSHYVUROLIZQA-UHFFFAOYSA-N 480.568 5.115 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C/N=C/c4ccco4)CCC3)cc2)ccc1Br 1790345677 GONFCWBLWBQGRS-JFLMPSFJSA-N 494.389 5.217 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccs3)CCC2)cc1 1790469562 FPFAERZDYRVZLD-NRFANRHFSA-N 495.645 5.193 30 20 JKED C[C@@H](Cc1ccccn1)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1791766899 XXPIRIWLWIXHKL-SFHVURJKSA-N 472.976 5.233 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)cncc4F)CCC3)cc2)c1 1792125080 RJXHGKAAQCMGTB-MRXNPFEDSA-N 460.484 5.048 30 20 JKED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCCc2ccc(C(F)(F)F)cc2)C3)cc1 1800539531 HWZRBEMMFKUQCH-BKFWDETESA-N 483.534 5.046 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2ccc(F)cc2F)[C@H]1c1cccnc1 1802493336 VYZQBIWINBXFMF-DVECYGJZSA-N 487.616 5.150 30 20 JKED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1802685621 ILORYWGIDKLDTI-AQNJTLAZSA-N 493.051 5.265 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1803088200 IKPXKVCPYIWXDT-ILBGXUMGSA-N 486.641 5.293 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1803092471 VUPIIIHOYHBIDL-IZLXSDGUSA-N 480.612 5.232 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)C3CCC(c4ccc(Cl)cc4)CC3)[C@H]2c2cccnc2)C1 1803223570 WHJSYBCJSWINIG-JZZUXWEVSA-N 492.063 5.681 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1 1803229487 YBGIAFPTFBDHAL-MSLLRLGPSA-N 480.052 5.374 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)CCOc3ccc(F)cc3)C2)CC1)c1ccccc1 1805186855 RKMMJQCRBFBBKX-HHHXNRCGSA-N 490.619 5.023 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)C1 1805456348 MOABMUIHEUFBDN-UHFFFAOYSA-N 463.647 5.423 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC2CCCC2)[C@H]1c1cccnc1)c1ccccc1 1806203951 NASMAQQPUCICFN-HPUNYJORSA-N 471.645 5.255 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4sccc4s3)[C@H]2c2cccnc2)c1 1809759107 TYXZDFCOXZLUTQ-NTKDMRAZSA-N 486.622 5.171 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C(C)(C)C)c2)[C@@H]1c1cccnc1)c1ccccc1 1810446131 NJJZVICSLKMJBX-MAARLIENSA-N 496.655 5.224 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2-c2ccccc2)[C@H]1c1cccnc1 1810501548 BBIVUXWSXFQWBG-IGKIAQTJSA-N 482.628 5.456 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)c(F)cc2F)[C@H]1c1cccnc1 1810602648 VAKNRJNWUQABGQ-FDDCHVKYSA-N 473.951 5.101 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1810718556 KPNXJBDLGFCDEY-HOFKKMOUSA-N 487.625 5.113 30 20 JKED CC(C)=CCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1 1811252184 TXXLYVOBCBUGLL-SMCANUKXSA-N 491.635 5.547 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc4c3CCCC4)[C@H]2c2cccnc2)c1Cl 1811424272 HLXKSRBGVNVFLO-CUNXSJBXSA-N 499.014 5.119 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 1813865740 ILCZUTWUZQHIRN-BNAYCWRJSA-N 478.552 5.088 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c(Cl)ccc(OC)c2F)[nH]n1 1814830056 NLZLEJVFTNZPSD-HXUWFJFHSA-N 488.991 5.214 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1819302400 DMJGQNAOTTXXHY-GSLIJJQTSA-N 489.664 5.082 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)[nH]n1 1819303686 ZOEFIYMDPVISQE-XQQXVUDOSA-N 468.548 5.252 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N3CCCCC3)cc2)n[nH]1 1821137277 QOUIERSDUVILEB-ZCYQVOJMSA-N 475.637 5.474 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc4ccc(Cl)cc4c3)n[nH]2)c1 1821429476 XDEFUPPSRDKYSX-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(CC(C)C)CC(C)C)n[nH]1 1821758404 WEVLPQGYOTXMHY-RPLLCQBOSA-N 479.669 5.333 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CC2)[nH]n1 1821921735 UKDGDUSDWUHVQE-JXFKEZNVSA-N 485.426 5.108 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c1Cl 1823209370 FYXNFTXQMXJJBH-IBGZPJMESA-N 486.334 5.347 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 1823285150 CTCLBLIHYCTNNJ-HSZRJFAPSA-N 460.603 5.302 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)[nH]n1 1823420387 WIAUSCRYCDVYED-QGZVFWFLSA-N 485.407 5.106 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4c(-c5nccs5)noc4c3)CC2)C1 1823700705 WCPHDFHCNIMJSE-QFIPXVFZSA-N 490.629 5.151 30 20 JKED C[C@H](c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)cc1)C(F)(F)F 1823887860 QAJPEURRKOJGDB-XMSQKQJNSA-N 477.571 5.064 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1 1824421843 JQNHISGPCGJDLP-HOTGVXAUSA-N 490.585 5.069 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3cccc4ccccc34)CC2)c1 1824956584 LGICMQQYPUKVIQ-MHZLTWQESA-N 499.586 5.163 30 20 JKED Cc1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1825845585 OSJCWEDPKIZSLY-PMERELPUSA-N 491.635 5.337 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncc(Br)cc2C)CC1 1826188705 SEPDMDKBAJDCCD-NRFANRHFSA-N 490.486 5.378 30 20 JKED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)CC2 1826426399 AFZKXNJLTXTBKC-MRXNPFEDSA-N 488.535 5.063 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3Cl)CC2)c1 1826477310 YEJUGTRJMHFSQD-FQRUVTKNSA-N 478.036 5.443 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827684935 ZVFOQGZJIHHZCJ-VQKOGROQSA-N 485.049 5.382 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991483 SVVHOJRGMGBIIW-QHCPKHFHSA-N 467.997 5.337 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C)cc2C(F)(F)F)CC1 1828828302 HJWZLYNKWYBHRP-KNQAVFIVSA-N 465.560 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828828787 SELRYWHQBZFAEO-ISKFKSNPSA-N 464.606 5.449 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC=CO2)CC1 1828898486 XEHMDZBNSMHFFL-URLMMPGGSA-N 482.624 5.012 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC=C(C)C)CC1 1830257295 MJZBJVUPZCEEBJ-BJKOFHAPSA-N 489.701 5.212 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(NC(=O)OC)c2)CC1 1830444496 PVFOTVLESOHYPY-HSZRJFAPSA-N 469.626 5.091 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4sccc4c3O)CC2)cc1 1830956062 DDPUOWLPNQCMAK-HSZRJFAPSA-N 473.598 5.026 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1831371480 VWNRAHGJKFPANF-AVRDEDQJSA-N 467.576 5.533 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1831377762 LOIJWUDQMSWCMR-JRFVFWCSSA-N 491.717 5.100 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1831447232 YQBMYGQTAITWOI-LJQANCHMSA-N 459.364 5.438 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1)C(F)(F)F 1831453792 LALNSANMIBVPIH-IBGZPJMESA-N 490.925 5.230 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)CC2)c1 1831482421 JDFCXPSVEWOATN-LZFIYUALSA-N 461.650 5.373 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)CC2)cc1 1831599749 ZRPYDBUHQHIOJG-MHZLTWQESA-N 497.643 5.034 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832629277 PEEYGMBKKKUZRX-DEOSSOPVSA-N 467.972 5.206 30 20 JKED CSc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832634132 OELLBLSZWXRDKT-ZBLYBZFDSA-N 489.685 5.512 30 20 JKED Cc1cc(C)n2ccc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2n1 1832634898 XDGRAWTUWAREIF-NFQMXDRXSA-N 497.643 5.125 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)cc1F 1832703472 LSDVSOMHPYBCQO-AREMUKBSSA-N 491.607 5.340 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1c(-c3ccccc3)cn3ccccc13)C2 1844202784 AMINRBGFZXDJPD-HSZRJFAPSA-N 453.586 5.192 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1cccc(Cl)c1 9638634 UONFWBCEHCDFNX-UHFFFAOYSA-N 455.946 5.111 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2ccc(Cl)cc2Cl)c1 11077951 NIWRIHRSDFAUQY-UHFFFAOYSA-O 450.436 6.319 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082762 XLTKYFWUWHUALN-UHFFFAOYSA-O 472.403 5.797 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nnc1-c1cccc(C)c1 11450684 DOQSBJYSIYWBTJ-UHFFFAOYSA-N 466.010 5.440 30 20 JKED COc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1 15248094 VRSYAHLHKZRYCP-UHFFFAOYSA-O 475.421 5.406 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2)nnc1-c1ccc(Br)cc1 21339559 FUEFPRORVLGNSG-MRXNPFEDSA-N 471.424 5.205 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)nnc1-c1ccoc1C 21925424 FYQYVVRYHUJRAD-UHFFFAOYSA-N 476.606 5.247 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccco2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 22711001 WLNLAGYYPMAFAX-UHFFFAOYSA-N 483.590 5.102 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 22731074 DERFWYWYBFYRIE-UHFFFAOYSA-O 480.387 6.563 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)nnc1-c1ccc(OC)cc1 23554321 SXEHYJQLPRRNSS-MSOLQXFVSA-N 450.608 5.773 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C(C)(C)C)cc2)cc1 23603425 SZUKOTUDZUWSGH-UHFFFAOYSA-O 478.638 5.444 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nnc1-c1ccccc1OC 23635064 BDCSVQPRRWHCTC-UHFFFAOYSA-N 477.615 5.573 30 20 JKED O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)NCC#Cc1cccc(C(F)(F)F)c1 31697869 YAPCCUHIUZZCBF-UHFFFAOYSA-N 499.558 5.181 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccnc2SCc2cccc(Br)c2)cc1 31756123 OGLKMLIEBQVFPX-UHFFFAOYSA-N 466.404 6.190 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccc(OC)c2)C23CC4CC(CC(C4)C2)C3)nnc1C1CC1 36849658 QHMHCOPJESUZDA-UHFFFAOYSA-N 492.689 5.440 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 247970963 AJSWZSALBQGIOV-ZDUSSCGKSA-N 467.904 5.137 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 303314629 RVJZKBYLIURGQX-INIZCTEOSA-N 488.642 5.744 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 490647731 IHKZVBKMRGQNRF-UHFFFAOYSA-N 468.557 5.214 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 498001684 IKNINWRGUMBZPH-AREMUKBSSA-N 473.548 5.684 30 20 JKED COc1cccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N(C)CCC#N)c1OC 500179034 VLYQIKVMSHIFPS-FBKQIBBUSA-N 455.558 5.361 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1 500465095 VFGIFGYBFRVBMX-UHFFFAOYSA-N 458.630 5.099 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC1(c2ccc(Br)cc2)CC1 501274420 KSTHYRGLVFFAOP-UHFFFAOYSA-N 490.357 5.166 30 20 JKED CCCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nc2sc3c(c2c1=O)CCC3 501534762 LWJNNRMAVVXDEI-UHFFFAOYSA-N 480.659 5.013 30 20 JKED CCOc1ccc(-c2nc(Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)cs2)cc1OC 502819865 OCXOFXPFIUYQGH-UHFFFAOYSA-N 451.935 5.106 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 505295708 LVZZJVSSKULNMC-RUZDIDTESA-N 464.525 5.555 30 20 JKED CSc1nc(C2CC2)cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1C#N 509682147 FEDVWULAPOSTJM-UHFFFAOYSA-N 475.536 5.050 30 20 JKED O=C(NCCc1ccccc1C(F)(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 512601000 CNFYVJNWFXOUNZ-UHFFFAOYSA-N 472.307 5.040 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)n1 512959045 SEXYZSJBMCRHPL-MRXNPFEDSA-N 475.353 5.696 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)cc1 517733534 WCAHTCVBVDIICI-QGZVFWFLSA-N 496.658 5.088 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 518581302 KZWSEHUISBALSB-INIZCTEOSA-N 489.482 5.220 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 519086892 FANPCKCQAKXKPG-UHFFFAOYSA-N 468.351 5.249 30 20 JKED C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 519262929 DDSMXFZOSFSKBY-NSHDSACASA-N 481.368 5.186 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)nnc1-c1cccc(C)c1 519414796 WFYCKOZYIFDQLL-QGZVFWFLSA-N 451.621 5.399 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 519433182 VRIARCWWSOGWOG-KUHUBIRLSA-N 462.402 5.488 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 519440526 KWJBWAJRCCWBRP-UONOGXRCSA-N 450.391 5.403 30 20 JKED CCOc1ccc(Br)cc1CN(C(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CC1 520197616 IUPCGRWXWFEPTN-INIZCTEOSA-N 488.451 6.439 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc(-c3ccccc3)nc21 591862605 XYDNEDBQRYJVAY-SFHVURJKSA-N 471.973 6.432 30 20 JKED C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 598747121 XLLYHSZAYKWYDN-LJQANCHMSA-N 473.529 5.174 30 20 JKED Cc1nc(SCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[nH]c1Cc1ccccc1 603640085 ZLBQHXKADANVPI-UHFFFAOYSA-N 468.582 5.490 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3cc4ccccc4nc3O)s2)c(C(F)(F)F)c1 603672800 RZYVCDVCGXRJFK-UHFFFAOYSA-N 468.460 5.059 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1Cl 603758798 IUPLGASIYZWTLT-SFHVURJKSA-N 481.865 5.847 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3occc3CSc3ccccc3)c2)cc1 603814524 BNZMHWWDGLJZEA-UHFFFAOYSA-N 454.551 6.469 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)s2)cc1 603829921 KPZPRDSVERJLNL-LJQANCHMSA-N 474.615 5.595 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cc2Cl)c1 609079795 KXEGHARNACYDFZ-XMMPIXPASA-N 465.912 5.535 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)cc1 609208714 HEEDKFYJAHXDJE-GJZGRUSLSA-N 471.401 6.382 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC2(CCCCC2)CC1 609404043 BWEMFITVPOCDCD-UHFFFAOYSA-N 453.530 5.223 30 20 JKED C=CCN(C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)c1nc2c(s1)CCCC2 614519825 SDIDQPDPIVXCHL-UHFFFAOYSA-N 472.035 6.130 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CC(F)(F)F)C(C)C)c1 614664129 ZQVXHRQFWJLULD-UHFFFAOYSA-N 474.932 5.134 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OCc3cn4cc(C)ccc4n3)n2)cc1 619756452 NJUXMMSNMYBCQL-QHCPKHFHSA-N 494.576 5.844 30 20 JKED CCC(CC)c1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2cnn(CC)c2)cc1 726180144 WXYRHSBUCOLJCS-UHFFFAOYSA-O 480.658 5.412 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccco3)C2=O)cc1 726420914 JXGPHNHQQQUNFO-NDKFBNENSA-N 483.615 5.330 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C2CCCC2)cn1 726893077 UIQSBIUFUQEHER-QFIPXVFZSA-N 474.586 5.146 30 20 JKED COc1ccc(OCc2nc(/C=C\C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cs2)cc1 727266973 LJORNJYLFPJHFQ-WTKPLQERSA-N 469.475 5.060 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2c(Cl)ccc(C)c2Cl)N(Cc2cccc3cccnc23)C1=O 728429918 LRVUTTPGEOZBKI-QGZVFWFLSA-N 487.412 5.118 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](O)c1ccccc1C(F)(F)F 728738669 SKOXAQCLOFOQAY-QHCPKHFHSA-N 469.463 5.320 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(CSc4nc5ccccc5s4)cc3)CC2)c1 729417260 IMHSBJNKDJFRKQ-UHFFFAOYSA-N 485.634 6.144 30 20 JKED N#CCn1c(C(=O)OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)cc2ccccc21 729767620 PDNMCKIKIZHOJN-JOCHJYFZSA-N 492.491 5.039 30 20 JKED CC(C)n1ncc2c(C(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc(-c3ccccc3)nc21 729887827 CRBJLAKFLWMPOJ-FQEVSTJZSA-N 492.366 5.947 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(C2CCC2)C1=O)Nc1ccc(F)cc1F 730460871 HUYHRPZRWWHHFC-SFHVURJKSA-N 499.461 5.376 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 731073064 SIYRFMUKGTUGOA-NSHDSACASA-N 491.318 6.059 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1cc(C)ccc1F 743525190 OSNPJFJYTSIIFS-GOSISDBHSA-N 497.564 5.056 30 20 JKED C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 744843724 UWWHYQMHAACJBO-LJQANCHMSA-N 461.512 5.052 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 745990819 JKHRZBKSPLOTHE-OALUTQOASA-N 478.401 5.133 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O)Nc1ccc2ccccc2c1 747599254 IVAFIHIFQQEZOT-QFIPXVFZSA-N 490.585 5.596 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(N2CCCCCC2)cc1 748358893 WYTQAZDNWNDLMP-UHFFFAOYSA-N 495.624 5.293 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1 749182891 HBFLXURPNRTEPR-SANMLTNESA-N 461.525 5.311 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 750307274 SFGOPQANCYPLJF-HXUWFJFHSA-N 457.408 5.104 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(C)c(F)c2)C1=O 766897587 XOOJKNBGIBEPJG-QHCPKHFHSA-N 477.561 5.303 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)O[C@@H]2CCCCC2=O)ccc1Cl 796529087 ACVBDFKULKIMSS-HXUWFJFHSA-N 482.385 5.043 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CCN(C3CC3)CC2)c1 837385345 VUBFEEZOJAHXEH-QHCPKHFHSA-N 497.064 5.236 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccc(F)cc1 838518562 BMWQMYDWQPBOIH-JOCHJYFZSA-N 499.514 5.273 30 20 JKED COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccccc3Cc3ccccc3)nc(O)c2C#N)cc1 857992196 UOOLZAPZPYUHID-GOSISDBHSA-N 496.592 5.440 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)NCc2cccs2)[n+]2ccc(C(C)(C)C)cc2)C=C1 912837819 QSZCEJMWFFNDDW-UHFFFAOYSA-O 494.706 5.741 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c(C)c1 914547464 YBVTWMHGWWKOLK-HYBUGGRVSA-N 472.614 5.098 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2Cl)c(C)s1 914694933 YXRVRAFERXGXDV-DJJJIMSYSA-N 462.040 5.380 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cc(C2CC2)nc2onc(C(C)C)c12 915577159 MMPDBDNEVSYIST-HNNXBMFYSA-N 453.564 5.045 30 20 JKED O=C1/C(=C/c2ccc(C(=O)O)cc2)CN(Cc2ccc(Cl)cc2)C/C1=C\c1ccc(C(=O)O)cc1 915990762 WUSDXGCCXVIMEJ-RNIAWFEPSA-N 487.939 5.288 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccn2)C1=O 916209280 IKRLNAXAOIKFEF-OAQYLSRUSA-N 482.968 5.343 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3Cl)N(C3CC3)C2=O)c(OC)c1 916214581 OUMJMKGUIOOHGD-IBGZPJMESA-N 494.400 5.133 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)N(C3CC3)C2=O)cc1OC 916217583 QPIFTFFVONYXMP-IBGZPJMESA-N 494.400 5.133 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nnc2-c2ccccc2F)c1)c1ccccc1Cl 916319670 GOKVYEVXGKEAPX-UHFFFAOYSA-N 451.914 5.161 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 916914894 XVJSECFNMDBGEW-FQEVSTJZSA-N 451.979 5.696 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc12 916946502 WTQDEAPYAGOOGM-CYBMUJFWSA-N 481.133 5.207 30 20 JKED CC(C)c1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 917040235 IMXYAOCVWIWSKV-SFHVURJKSA-N 465.529 5.709 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnc1-c1cccs1 917043702 NUMMLDKHLVEGSK-GFCCVEGCSA-N 493.561 5.624 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 917043709 MVNBIPMLMNNWHP-GOSISDBHSA-N 487.503 5.540 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 917517399 DWEJXQDWKLKMRF-ZROIWOOFSA-N 471.944 5.801 30 20 JKED COCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1OC 917559695 BTEKTGBEHXPVQE-JXMROGBWSA-N 486.977 5.411 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C(C)C)cc1 917667067 CASBDFWVGJUWDR-OAQYLSRUSA-N 475.561 5.085 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c1 917688269 CBPDKPIDNIVZLC-QHCPKHFHSA-N 494.567 5.391 30 20 JKED C[C@@H](OC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 919386476 OFXIHUSFZNNMBB-MRXNPFEDSA-N 461.543 5.260 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cc1 919511963 NHCURZJXBZZYSH-GOSISDBHSA-N 496.633 5.103 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2cc(C)on2)c(Cl)c1 920355350 KVHYJUUKIGAILE-NRFANRHFSA-N 497.020 5.091 30 20 JKED N#C[C@@H](C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc(-c2c(F)cccc2F)cs1 920805077 GHHQDSQAFXEFGQ-AWEZNQCLSA-N 474.414 5.783 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(-n3ccnc3)cc2)C1=O)Nc1ccccc1F 921140398 PBALUKHOITXPKQ-XMMPIXPASA-N 499.571 5.172 30 20 JKED Cc1ccccc1-n1c(-c2ccncc2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 921188947 UCOYESULRMSNQU-UHFFFAOYSA-N 494.546 5.667 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2SCc2cscn2)cc1 928985551 DUEYFWROHRVPCC-SFHVURJKSA-N 465.600 5.236 30 20 JKED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1781738999 NLWUFMMMJBJZPW-HVHLLGLASA-N 497.639 5.242 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)Cc4cc5ccccc5n4C)cc3)CCC2)c1 1786032147 KNFBRTVYICLHCN-UHFFFAOYSA-N 492.579 5.049 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C[C@@H]4CCCCO4)cc3)CCC2)ccc1Br 1786646555 HPJOZQJJBUBZLJ-NRFANRHFSA-N 496.405 5.028 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1)NC(=O)OC(C)(C)C 1786904795 XQOSKRJUWQMGLK-JOCHJYFZSA-N 495.620 5.206 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCC(=O)c3ccc(OC)cc3)cc2)CCC1 1787692577 QJCDYXGNBPWESR-VWLOTQADSA-N 474.601 5.561 30 20 JKED CO[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1)c1ccccc1 1787852102 FFQPPVYVHXLMMU-IBVKSMDESA-N 467.569 5.449 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4ccc(Cl)cc4nn3)cc2)CCC1 1788492382 MEFNMZJOPBSZBK-UHFFFAOYSA-N 478.980 5.014 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4OCCO5)cc3)CCC2)c1 1789004175 PHZGUHRBNHQRIC-LJQANCHMSA-N 481.552 5.146 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cn4cc(C(F)(F)F)cc(Cl)c4n3)cc2)CCC1 1789370994 RFMXDFQKZJXEDC-LBPRGKRZSA-N 496.942 5.073 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)no4)CCC3)cc2)cc1 1790706889 YXOUIPUGFZRIHR-UHFFFAOYSA-N 476.536 5.469 30 20 JKED C[C@@H](Cc1ccccn1)C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790767787 LNVJVLVOJOMHQI-SFHVURJKSA-N 472.976 5.233 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)c1 1790931239 UYTCGFAAONRVDF-UHFFFAOYSA-N 465.509 5.380 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Cl)cc3OC)CCC2)cc1)C(F)(F)F 1791305189 FCRRRDQJMYRHCL-UHFFFAOYSA-N 466.887 5.144 30 20 JKED COc1c(Cl)ccnc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792124694 DKDNQRQTHYDPRG-QGZVFWFLSA-N 488.975 5.432 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CC#N)cc1)C2 1799881316 XLDDCNNNOZVSCN-OOSCYNTBSA-N 481.596 5.015 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1Cl 1800465973 RSNWTXXRAWELAS-MUJYYYPQSA-N 496.316 5.449 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cc(C(C)C)c1 1800781643 IJMOFDKXIFALDM-REPLKXPHSA-N 469.370 5.036 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccc(Br)cc2c1C 1801206030 VWOADPFAMHJPPG-REPLKXPHSA-N 486.454 5.483 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1802500264 LTHNXYCIIFBPFY-URXFXBBRSA-N 482.694 5.583 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1802964138 WKYBOYHYDRYLIA-FUFSCUOVSA-N 493.994 5.260 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)[C@H](C)CC)[C@@H]1c1cccnc1 1806451224 DGNCCMXYGNYLNX-CPVBBFCRSA-N 459.634 5.111 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccncc2-c2cccc(C)c2)[C@@H]1c1cccnc1 1807837677 XDYUBPHPLXJWRG-HFASVGIHSA-N 494.639 5.540 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809217657 RCNPLMFQQGVQRI-ROKPMTFOSA-N 494.060 6.038 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@@H]1c1cccnc1 1809842871 RSCXTWNCIYKMJW-CPJSRVTESA-N 477.605 5.523 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2Cl)[C@@H]1c1cccnc1 1810275273 SRTGDQUMSNJCCB-YIXXDRMTSA-N 496.127 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@H]1c1cccnc1 1810458951 UMXQOTCLKKHJIG-KAYWLYCHSA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@H]1c1cccnc1 1810489359 LJCDSUYMCFMVQN-RDPSFJRHSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ncsc23)[C@@H]1c1cccnc1 1810499418 YARDMAVDRPWSTF-SIKLNZKXSA-N 462.619 5.003 30 20 JKED C[C@H](CC(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1)c1ccccc1 1811419908 JMHNJVKRXIANAT-AUZMWRNASA-N 487.003 5.120 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1812592779 TXNPFHGVWKJLPB-HTZUNMPGSA-N 480.823 5.574 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)[C@@H]1c1cccnc1 1812596051 DXBICWIWTPHAPN-NIRIFSCTSA-N 480.052 5.465 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@H]1c1cccnc1 1812672582 JFEOEMFQCJIDGY-OZXSUGGESA-N 489.566 5.588 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1813056509 USYDZZHGXJOHNP-CJFMBICVSA-N 494.517 5.058 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)n[nH]2)c1 1814723283 PGOJWOJNCBSECJ-PEBAYKFSSA-N 485.563 5.285 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3cccc(F)c3)CC2)[nH]n1 1814824542 YCXKIDATOSDWJF-QFIPXVFZSA-N 450.558 5.041 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1815573028 YMIHEAQMWQOSED-MRXNPFEDSA-N 494.411 5.606 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815684891 WMSFESLLYMTMJB-DYESRHJHSA-N 458.990 5.127 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3CCC(c4ccc(Cl)cc4)CC3)[nH]n2)CC1 1817106078 LITOOJSYSQRMIA-FQVRHNBASA-N 480.012 5.333 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)CC3)n[nH]1 1817941311 UYSJXJMGLCSZOM-LAUBAEHRSA-N 450.583 5.031 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2Cl)[nH]n1 1818115786 PJRJQPAFFIZFED-SGWGQVFISA-N 497.020 5.189 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818213957 RVAHTMDSPRLJMV-UTKZUKDTSA-N 491.558 5.885 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)nc4ccccc34)n[nH]2)cc1 1818604756 FGARSZYNDJOQSV-QHCPKHFHSA-N 498.974 5.297 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1)c1ccc(O)cc1 1818809896 JMCFFCLHBIFMHR-SGIRGMQISA-N 474.605 5.051 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)n[nH]1 1818869029 PZUMCVJLHAUGRF-JAXLGGSGSA-N 452.986 5.053 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1 1818919765 HSEFFOPMKNJBBN-OXQOHEQNSA-N 485.426 5.108 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)[nH]n1 1819307868 PATCAZLHWPIUTK-UYAOXDASSA-N 460.500 5.503 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115936 STVDYOCABZZYOC-HSZRJFAPSA-N 499.640 6.119 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)n[nH]1 1821006894 MQWMWBCBFQUAIB-PNDGYVOYSA-N 484.572 5.232 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)c1 1821325049 NWFNJIVGORYKRJ-NRFANRHFSA-N 481.478 5.228 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1821989696 DVFAYAHHCMFLBV-MRXNPFEDSA-N 490.860 5.599 30 20 JKED Cc1ccc(CSCCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)cc1 1822281760 ATHHHDJVZWZSIK-DEOSSOPVSA-N 487.629 5.219 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)sc2C1 1823073850 MEJPBJBOZKRXOH-HSBQTJJHSA-N 490.629 5.027 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(-c4cccnc4)cc3)sc2C1 1823151400 TXJFTKYLEXIZCK-FCHUYYIVSA-N 472.614 5.199 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(Cl)c1 1823187511 FSXPFAZBUNUVSJ-GAJHUEQPSA-N 475.980 5.618 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4cccc([C@@H](C)C#N)c4)n[nH]3)c2[nH]1 1823215393 QPWWDLOXJSMUIU-BXKMTCNYSA-N 480.572 5.446 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823216820 BRFHPTVDSOWLAK-ZHRRBRCNSA-N 491.979 5.318 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4occc4c3)[nH]n2)cc1C#N 1823291092 UOWBKXZEOJYDEL-QHCPKHFHSA-N 497.555 5.434 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)ccc3C(F)(F)F)n[nH]2)cc1 1823302508 LQTZIBMWIKAIQK-HXUWFJFHSA-N 485.441 5.059 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cn1 1823683099 HMTZCARYGSYSMC-AREMUKBSSA-N 486.660 5.117 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)CC2)c1Cl 1824920871 MFEFMMWQMWTZEN-DEOSSOPVSA-N 494.010 5.316 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccs3)CC2)c1Cl 1825311861 BNCCSBQKEGDAOC-JOCHJYFZSA-N 470.038 5.139 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825572728 MDSMLJRNUXSHPB-AREMUKBSSA-N 481.612 5.037 30 20 JKED Cc1cc(C)c(NC(=O)OC(C)(C)C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC#N)CC2)c1 1826693631 VHAVZVZPXFCLGC-HSZRJFAPSA-N 496.652 5.188 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1827515935 KZMNQOUDFMTGOS-HYBUGGRVSA-N 452.639 5.236 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827778854 JSBREEDBLPTOMJ-QHCPKHFHSA-N 479.587 5.515 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1828419469 IBNCSQLKLPRNRW-RTGAMMJTSA-N 489.582 5.465 30 20 JKED Cc1cccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)CCc4cccc(C#N)c4)CC3)[nH]c12 1828543738 ATBZEXDUSNVLSC-HHHXNRCGSA-N 482.628 5.214 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2noc(-c3ccccc3)n2)CC1 1828826869 DOKDRVUUIMXZKD-JWQCQUIFSA-N 490.648 5.057 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 1828827897 YXJNEFNJGCPCPD-JWQCQUIFSA-N 461.606 5.343 30 20 JKED CCSc1cccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828906754 FWKDXIHNGUGDFD-QHCPKHFHSA-N 499.797 5.478 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cccc2F)CC1 1828906781 HRTSAZWGDFKVTC-HSZRJFAPSA-N 474.668 5.249 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cccc2F)CC1 1828906782 HRTSAZWGDFKVTC-QHCPKHFHSA-N 474.668 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cnccc2C(F)(F)F)CC1 1829068376 SLMDYTDLUBAYON-HSZRJFAPSA-N 493.614 5.645 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nc2Cl)CC1 1829180557 OOXNFAGVVUWFIV-ICSRJNTNSA-N 464.437 5.390 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829647201 GPQQQZWLJGTZHK-QGZVFWFLSA-N 487.925 5.281 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)s1 1829687512 ARGZSOQDYWKBMC-HXUWFJFHSA-N 456.011 5.129 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1830001944 PCJXMUYYENOTRB-DEOSSOPVSA-N 483.534 5.433 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)[nH]c2c(Cl)cccc12 1830014932 MEDFVJIONWYWGC-DEOSSOPVSA-N 489.019 5.549 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c(C)c1 1830119987 ALKASWFXWZIVNF-JIPXPUAJSA-N 473.617 5.178 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(CC)CCC2)CC1 1830359507 XLDCPMUUFZVJBK-XZOQPEGZSA-N 489.701 5.046 30 20 JKED COc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)cc2c1 1830628270 FRCIHLRQKBLZIS-RUZDIDTESA-N 485.584 5.055 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)c1 1830633622 UCGMKOPAYQIXAA-VWLOTQADSA-N 464.009 5.262 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3-c3ccccc3)CC2)c1 1830715661 JDSQINHHPAXGAU-MHZLTWQESA-N 496.586 5.306 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)c1 1830771076 PTUCFXRWAHNILZ-VWLOTQADSA-N 490.003 5.813 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831058895 HSHWKMDQTFNYLS-ZEQKJWHPSA-N 478.658 5.774 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(O)cc3Cl)CC2)cc1 1831774215 XTAMXZUCHUJOHE-OXXZUKKGSA-N 492.019 5.058 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831776445 ONWHRZHOKUHNCF-VXKWHMMOSA-N 485.650 5.075 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c1 1832609675 NUACCJJZBVMKPA-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)c1 1832634296 UGQZUNYLIJKQED-DWACAAAGSA-N 495.627 5.046 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCCC3)CC2)cc1C#N 1832702021 YMTBNKLXGNZLHH-VWLOTQADSA-N 465.638 5.159 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)CC2)c1 1832714571 MZJUBESLWYPKAF-QHCPKHFHSA-N 488.390 5.551 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1c(C)cc(C)cc1Cl 11089521 UFBXZBZIFGYAJP-UHFFFAOYSA-O 482.025 5.629 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 11159636 NXJFFZIPEXBGKB-UHFFFAOYSA-O 470.445 6.383 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 15790792 HFGCQIWCUIMOCZ-UHFFFAOYSA-N 485.949 5.190 30 20 JKED Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 16792761 OSCCTBWIPVAJJN-IBGZPJMESA-N 487.581 5.090 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(Br)cc1 17703867 UDQLPGVTMZKIPC-LBPRGKRZSA-N 474.409 5.858 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2 20864764 OQRWVNIBXRSAKV-DTQAZKPQSA-N 485.590 5.902 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 22141008 NALWLVZIDGUJAT-UHFFFAOYSA-N 471.513 5.452 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C 23283370 WHDLSDWVUNMWSY-IBGZPJMESA-N 475.643 5.395 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1C#N 27493093 WUSRZKGXNWBKDI-QGZVFWFLSA-N 478.025 5.201 30 20 JKED Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccc(C(C)(C)C)cc2)c1 28780362 AQVVUBPCMNGTGL-UHFFFAOYSA-O 496.494 6.702 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)N(CCC#N)c1ccc(F)cc1 31702242 KEEYLUCNBSSODP-ZDUSSCGKSA-N 475.343 5.066 30 20 JKED C[C@H](c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1-c1ccc(F)cc1)N(C)C 96447665 MYHZTITYPQAVSF-XMSCMFJESA-N 479.625 5.002 30 20 JKED CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 107647280 DEYBPXSUFPATDA-URXFXBBRSA-N 480.395 6.042 30 20 JKED CCn1ncc2c(C(=O)[C@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)cc(-c3ccccc3)nc21 108978174 RPPQZTPSAWDHHN-NRFANRHFSA-N 479.565 5.740 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 195645879 AINGIAKEMDDREV-QFIPXVFZSA-N 451.320 5.478 30 20 JKED Cc1nc(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)sc1SCC#N 303000198 ZGFXFULXKJRLAR-UHFFFAOYSA-N 451.470 6.144 30 20 JKED C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2)C1 303039912 ZPQWIVHJMYKSLF-XXBNENTESA-N 488.588 5.757 30 20 JKED Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1-c1ccccc1 303298313 OCLFQLBEWJNQKH-QGZVFWFLSA-N 489.626 5.961 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1Cl 409777857 RUBDDGHFJMZYKH-ILBGXUMGSA-N 488.975 5.435 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 483464094 KCOWSXLGNDZWNQ-FQEVSTJZSA-N 453.542 5.926 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)s2)cc1 487265542 SXICQVLIIFGNCD-UHFFFAOYSA-N 478.986 5.825 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CSCc1cc(-c2cccs2)on1 500763796 AEMUCYHIEUFEAG-UHFFFAOYSA-N 461.568 6.247 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1)c1ccccc1 502243076 MOPNMNGOEBWTQO-DEOSSOPVSA-N 483.637 5.624 30 20 JKED C=CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 503068517 KRLHJFOTXGTRIL-UHFFFAOYSA-N 479.005 5.547 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1 509006557 KNHQGJHCVPKSRJ-UHFFFAOYSA-N 471.900 5.888 30 20 JKED CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCSc2ccc(Br)cc21 509923653 BKRGSBNJIZAEDB-HNNXBMFYSA-N 468.323 5.623 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cn1 510326247 XRERSPWKFIOITR-UHFFFAOYSA-N 486.450 5.407 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 511337692 BCMFZKWMIPHANA-DEOSSOPVSA-N 468.582 6.310 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)n2)cc1 516713801 JXMJSZWTSRZTBZ-IBGZPJMESA-N 483.578 5.618 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 517155479 DHVBRDWIXWMZTB-UHFFFAOYSA-N 494.473 5.203 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)C2)c1 517437171 GMOGROJKHHKQQP-QFIPXVFZSA-N 481.556 5.002 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)s2)cc1 518102008 AVYZYKBXOOEZCA-LJQANCHMSA-N 460.603 5.613 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1coc(-c2cccc(Cl)c2)n1 518131406 MOAZFJQYYBGFEO-OAHLLOKOSA-N 458.008 6.261 30 20 JKED N#C[C@H](C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)c1nc(-c2ccncc2)cs1 518642828 OPAQWHIIZARTTH-CQSZACIVSA-N 456.379 6.730 30 20 JKED C=CCN(C(=O)c1ccc(COc2ccc3ccccc3c2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 518731110 QTOAMHFTURSUTO-HXUWFJFHSA-N 479.540 5.377 30 20 JKED Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518753327 MLKXYXFBQNSUAV-UHFFFAOYSA-N 479.334 5.182 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc(-c2c(F)cccc2F)cs1 518873026 LIGQNURHENABSM-OAHLLOKOSA-N 485.313 5.527 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 520131665 OQSDRXPQQNKOJA-UHFFFAOYSA-N 467.529 5.345 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(CCCOCC(F)(F)F)CC2)cc1Cl 520613442 NLUSYJKMRKDQSX-OAQYLSRUSA-N 494.945 5.114 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 520816004 HNGWLXPDWGFVHV-HNNXBMFYSA-N 494.642 6.622 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 523380777 KJDYUUZBTCTRBL-STXQHDJLSA-N 451.570 5.143 30 20 JKED Cc1ccc(-c2nc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cs2)cc1 524390539 RGUUSKUIJDSTIT-UHFFFAOYSA-N 453.567 6.059 30 20 JKED COc1ccc(C[C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)cc1OC 524566674 YCVYEMHILDFGSU-XXBNENTESA-N 475.614 6.061 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)COc1cccc(NC(=O)c2ccco2)c1 551889278 ADHCWZQFLBQZKO-UHFFFAOYSA-N 451.482 5.016 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(-c4ccco4)nc4ccccc34)n2)cc1 591861710 CPIYLRLCNCIRJG-FQEVSTJZSA-N 451.507 6.117 30 20 JKED COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@@H]2CCCC[C@H]21 603624668 QWSPZNAQTJOUEO-AMDXRBSFSA-N 496.567 5.166 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCN(C)C[C@@H]3CCCO[C@H]3c3ccccc3)c2C#N)C1 604521200 BXNJUWAJCJMVKX-AOUJKTHWSA-N 451.636 5.173 30 20 JKED C=CCN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1nc(C(=O)OCC)cs1 604534051 GDIRUWFIBIJFTR-UHFFFAOYSA-N 495.551 5.898 30 20 JKED CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)c1ccccc1-c1ccccc1C#N 609026300 YOLUCBYMXBUYJJ-UHFFFAOYSA-N 481.577 5.298 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCc4c(Br)cccc43)s2)cc1 609047012 OWZKKUAKWDUXIT-KRWDZBQOSA-N 486.420 5.274 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccccn3)cc2Cl)c1 609079628 DORWXGYJPFDVSN-SANMLTNESA-N 468.944 6.097 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)N4CCCCC4)CC3)cc2Cl)c1 609080952 XQIHITPADWVHLA-UHFFFAOYSA-N 480.996 5.047 30 20 JKED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 612745199 PSEXQQAODVNPIT-UHFFFAOYSA-N 491.642 5.416 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3OCc3cn4cc(C)ccc4n3)n2)cc1 619756451 NJUXMMSNMYBCQL-HSZRJFAPSA-N 494.576 5.844 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)ccc1OCc1cscn1 620304269 QIPGEEQPOUHRKG-OAHLLOKOSA-N 483.521 5.622 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(OC)cc2)(C4)C3)cc1 626588106 OBXNNKTVSVBLOD-CFZCFRQTSA-N 459.590 5.479 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2cccs2)cc1Cl 726407648 ULJLOGCHUSNNLK-NRFANRHFSA-N 495.029 5.476 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(F)(F)F)c1 726412070 MGCCOACUTOXRGG-KRWDZBQOSA-N 499.436 5.209 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)ccc3OC)C(=O)N2CC(C)C)cc1F 726415880 LEKLMMXXKBATNC-FQEVSTJZSA-N 493.988 5.113 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N([C@H](C)Cc2ccco2)C1=O 726420043 HAYYDVQGDDXCAU-WVVMVKHASA-N 497.642 5.371 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ccsc3)C2=O)c1 726420118 HHILSGPRLKABPN-QDKFNBQJSA-N 485.656 5.408 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1CC(F)(F)F)c1cccs1 726421854 QFEKFYCXPCWPDM-AMFXSYHKSA-N 475.945 5.354 30 20 JKED C=CCOc1c(Br)cc(/C=C2/SC(=S)N([C@@H](C)c3cccs3)C2=O)cc1OC 726630200 UPPFICQANPCRIW-OOIIIRTPSA-N 496.473 6.046 30 20 JKED Cn1cc(CCCN2C(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2)cn1 726735594 KZSIROIBQZCXAE-RUZDIDTESA-N 497.624 5.166 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1NC(=O)OC(C)(C)C 727803639 FVQLFQAOHPGAIU-UHFFFAOYSA-N 490.354 5.084 30 20 JKED Cc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C(=O)NCCc1ccccc1 727995292 UTDJREZRGREXKZ-UHFFFAOYSA-N 479.536 5.264 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)o2)cc1 728110101 HNKJSWCNMORMQF-UHFFFAOYSA-N 478.810 5.198 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1 728148085 RZPFDSPBBZICBQ-VWLOTQADSA-N 485.971 5.632 30 20 JKED CCNC(=O)COc1ccc(/C=C2/CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)cc1OC 728438718 LXODQLKHQXXQQO-ATVHPVEESA-N 482.989 5.200 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cc(Cl)cc(Cl)c1 728780651 WESODKIOGDMTDC-FQEVSTJZSA-N 489.428 5.325 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)c1ccccc1 729892380 WUQQWXLTQMQZBS-LEWJYISDSA-N 461.587 6.033 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(C)C)cc3)N(C3CCC3)C2=O)c(OC)c1 730461840 IQVZYYRKAWPFKP-QHCPKHFHSA-N 497.617 5.004 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)c1nc2ccccc2n1C(F)F 730689214 BLFDBAACFUAXJO-AOMKIAJQSA-N 469.850 6.220 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3c(C)cc(C)cc3Cl)N(Cc3cocn3)C2=O)cc1 730721949 XZQDYRNAFDHIOU-HXUWFJFHSA-N 482.993 5.414 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCOCC2CC2)C1=O 730942753 WMYWFUFMCAMESV-OAQYLSRUSA-N 490.000 5.174 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)C(C)(c1ccccc1)c1ccccc1 731078250 NTBUJCGKJBDOJO-FQEVSTJZSA-N 458.583 5.426 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 731192674 JVYYAFMSUHKHDD-SILNSSARSA-N 485.656 5.075 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)c(C)c1 731309003 RUNNAHUQPMQDJA-JPYJTQIMSA-N 477.586 5.194 30 20 JKED Cc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1F 731311601 CRZZNOAWPHNCQT-JOCHJYFZSA-N 481.524 5.139 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1OC 731345438 VAHCYGSRTGVCJG-UHFFFAOYSA-N 483.480 5.465 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1=S 746033717 SVZWCAFBGGRPQJ-JOCHJYFZSA-N 486.645 5.481 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)cc1 746698154 WAZQGHOGNBRFNV-HSZRJFAPSA-N 497.661 5.478 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1ccc(Cl)c(Cl)c1 747600302 PGOIHOPAQHFBMA-SFHVURJKSA-N 491.425 5.610 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 749361758 STRVBTUDBVMQIP-UHFFFAOYSA-N 451.954 5.523 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ncc(-c3ccccc3)n2C)n(Cc2ccccc2)c1C 762384875 UEZBAHUMQJGFHR-UHFFFAOYSA-N 455.587 5.156 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)c(C)c1 799215357 KVEAXNQRCZIPHT-QGZVFWFLSA-N 471.451 5.104 30 20 JKED CC1(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCN(Cc2ccccc2)CC1 805856283 XEIHINJNILWYDG-NRFANRHFSA-N 450.007 5.942 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C)N([C@H](C)c2cccnc2)C1=O 837299153 CZTBFRUGGYMAGH-WZONZLPQSA-N 474.586 5.120 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837915400 SCWCBNNWBRKOHN-MBSDFSHPSA-N 458.587 5.366 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)c1C#N 878322702 NRKCGZRBWVNCOG-INIZCTEOSA-N 463.559 5.040 30 20 JKED C=CCn1c(SCc2nc(C3(OC)CCCC3)no2)nnc1-c1ccc(Cl)cc1Cl 904833959 JSTBULRPHBOEFQ-UHFFFAOYSA-N 466.394 5.529 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 915086997 ZDGBYXCAYALHCZ-CTNGQTDRSA-N 474.358 5.096 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2cc(C(F)(F)F)ccc2s1 915104377 PHQUSWSPYTZTHB-CQSZACIVSA-N 477.414 6.057 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)CC(F)(F)F)ccc1Cl 915173969 DFKQGQFTSYREEC-UHFFFAOYSA-N 481.323 5.009 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C(C)C)cc1 916204779 BTDCWXIRDCWLLT-NRFANRHFSA-N 490.025 5.079 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)cc1OC 916205638 IKOHYLDGKRBXFI-XMMPIXPASA-N 489.597 5.173 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(C)c1 916215125 DDABYROKSCSQFF-FQEVSTJZSA-N 493.551 5.319 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(C[C@@H]3CCCO3)C2=O)c1 916216746 YDAFCCUSTIXCHQ-GMAHTHKFSA-N 465.619 5.060 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 916559285 AQRKCMNTWXLKDY-UHFFFAOYSA-N 488.293 5.500 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnn(-c2ccc(Br)cc2)c1C 916904136 XFIPSTKFHUDYAQ-HXUWFJFHSA-N 479.378 5.029 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 916953619 VLXYDUPXDZAYBY-VWNXMTODSA-N 464.974 5.519 30 20 JKED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 916966259 QRTLKFWSVGYMHA-INIZCTEOSA-N 473.337 5.454 30 20 JKED CCCCCOc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3)n2)cc1 917559495 JWQBUEPHERGAJE-GDNBJRDFSA-N 452.551 6.432 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2c(C)cccc2C)n1 917658568 LTFMKTXNMCLYFS-JOCHJYFZSA-N 494.567 5.446 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c1 917669102 NTRMNUIBJWYIMP-QHCPKHFHSA-N 472.545 5.166 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccc(C#N)cc3)C2=O)c1 917683099 ROSPHNUZTAYBKR-DEOSSOPVSA-N 484.581 5.036 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(OCC#N)c3)c2)cc1Cl 918596409 GBYASFPLVYNGQJ-UHFFFAOYSA-N 490.368 5.257 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC1 919771514 SGFXBUOIFZVSDM-UHFFFAOYSA-N 479.968 5.305 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806421 KWFJNJJYSLSEFO-ZYHUDNBSSA-N 480.323 5.390 30 20 JKED C=CCN(C(=O)C(F)(F)c1cccc(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 921000947 IUWSYCSERRBTJJ-UHFFFAOYSA-N 482.961 5.178 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cc(Br)ccc3F)cc2)CCC1 1785958534 DDMZMZWYERLUSB-UHFFFAOYSA-N 477.399 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCC(=O)Nc3ccccc3)cc2)CCC1 1786112979 RHNGODRVHBBXDW-RUZDIDTESA-N 473.617 5.698 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCc3ccco3)cc2)CCC1 1786904447 LRIHWLSBHKXFAG-QHCPKHFHSA-N 495.620 5.206 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5c4OCC5)cc3)CCC2)c1 1788905253 XHRVYUWMESCPPX-LJQANCHMSA-N 465.553 5.310 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)CCC2)cc1 1789451244 CYGBCEIFPVVITD-DENIHFKCSA-N 469.626 5.192 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4nc(-c5ccccc5)ccc34)cc2)CCC1 1789990320 CPXKKRJGJXQFDH-UHFFFAOYSA-N 450.542 5.554 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4[nH]cnc4-c4cccnc4)cc3)CCC2)c1Cl 1790029225 XPVTWWSMDHYJQC-UHFFFAOYSA-N 496.958 5.058 30 20 JKED Cc1ccc(-c2ncccc2C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)c[nH]4)cc3)CCC2)cc1 1790144537 SSQBCVZKRWRIRL-UHFFFAOYSA-N 475.552 5.318 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4cnc(-c5ccccc5)s4)CCC3)cc2)c1 1790146511 UXAWZSGVBDRDOD-UHFFFAOYSA-N 467.554 5.071 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc2)CCC1 1790482125 JOAKIAAFJPAMHO-GHTZIAJQSA-N 457.615 5.026 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3cccs3)CCC2)cc1 1790519588 OXDLYFNIWMSTFV-JOCHJYFZSA-N 497.661 5.284 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3CCC(C(F)(F)F)CC3)CCC2)cc1 1790563223 CGXGGIKRSLUXCC-MUYFXNHWSA-N 467.532 5.290 30 20 JKED COc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc1OC 1790705265 OUGRERJYXWNJPM-UHFFFAOYSA-N 497.595 5.150 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)ccc4cc3O)cc2)CCC1 1790955023 XZLJBURPOBREQD-UHFFFAOYSA-N 492.373 5.359 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)CCC2)cc1 1791589231 NDRKVEYCVMITNU-UHFFFAOYSA-N 452.982 5.098 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cncn3-c3ccc(Cl)cc3F)CCC2)cc1 1791727340 GBLYWWXDIHAYSC-UHFFFAOYSA-N 492.982 5.606 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cnc3OCC)CCC2)cc1 1791730822 XQUGDIHGGUZZAJ-UHFFFAOYSA-N 453.970 5.075 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c[nH]c5ncccc45)CCC3)cc2)c1 1792123982 WWPFJAWVYAWEJI-GOSISDBHSA-N 463.541 5.251 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 1794105026 HRXZMVKYHCABSD-SFIUMABJSA-N 493.047 5.334 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(-c3ccccc3)ccn2n1 1796552155 LRFYMCRMPAIKGQ-UHCVVMIDSA-N 468.601 5.022 30 20 JKED Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(C#N)c3Cl)c[nH]2)cc1 1799303409 FCASNPUSQGMLDL-KOUNCHBCSA-N 472.976 5.081 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(C)(C)C)cc2)c1 1800498414 OLSMASDLSWTAAN-ABQRKTDGSA-N 459.590 5.057 30 20 JKED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4ccc(Cl)cc4)o2)C3)c1 1800684908 YJLIOVODSDDJME-ACDBMABISA-N 477.923 5.176 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1802494667 FUZZNVOWWVSCAF-ISKFKSNPSA-N 488.657 5.517 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@H]1c1cccnc1 1802502377 IGGJGYAPJAQXDQ-MTVBTZTHSA-N 484.644 5.583 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)[C@@H]1c1cccnc1 1803092644 ZHGRAFRHSMOFDG-AZGAKELHSA-N 475.633 5.347 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)s2)[C@@H]1c1cccnc1 1805524794 VKCOEORIAUJVPC-CVDCTZTESA-N 488.129 5.167 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)snc3s2)[C@@H]1c1cccnc1 1807972494 ZIXNCOGZQQTPQL-JQVVWYNYSA-N 480.659 5.149 30 20 JKED C=CCSCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809442584 WGNOZMFTACFXHW-GAJHUEQPSA-N 486.062 5.189 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1810446986 IQQBNIFAXNFBRJ-NODASKEBSA-N 491.635 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sc(C)nc3c2)[C@@H]1c1cccnc1 1810500493 QZUWPBOZLKOPLT-ZJSXRUAMSA-N 476.646 5.312 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1811732890 GSXKEQBSTJRWFP-DVECYGJZSA-N 493.394 5.202 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@@H]2c2cccnc2)CC1 1811734403 XSOAUVUXRRDCFS-HBNGBVNPSA-N 476.596 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2C)[C@@H]1c1cccnc1 1811794439 MYENDUXOSVIQEO-CVDCTZTESA-N 499.011 5.264 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc4ccoc4c3)[C@@H]2c2cccnc2)c1 1812150255 IJWAZDRBIZQRPT-KAZGAHJFSA-N 478.552 5.088 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@H]1c1cccnc1 1813050678 GTZLMWNGPGAQLW-NAKRPHOHSA-N 471.645 5.101 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccnc(C(C)(C)C)c3)[C@@H]2c2cccnc2)c1 1813864806 DVTYAKPDFDJUDI-ZBKJKTKLSA-N 495.627 5.035 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2C)[C@H]1c1cccnc1 1813957007 ISMCFQDOGYJXBQ-NZQKXSOJSA-N 487.566 5.721 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1814067050 HNQHRBGFWZSPKW-QESAQDPVSA-N 479.587 5.449 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/c3ccc(F)cc3F)n[nH]2)c1 1815522325 NNIZHCMZDRCFSS-MHXVOTIHSA-N 489.526 5.334 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)cc2C(F)(F)F)n[nH]1 1815546114 HHVXIJLDKRCKCG-LIRRHRJNSA-N 466.479 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815683141 PMGFYKAAUMJANW-JTHBVZDNSA-N 485.028 5.683 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc5ccoc5s4)sc3C2)c1Cl 1816691375 VQBYRFSJAQWTHH-CYBMUJFWSA-N 482.974 5.015 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H]2CNc3ccccc3C2)n[nH]1 1817373818 YCXVMKLLASKXAE-CPJSRVTESA-N 475.637 5.235 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2cccc(OC)c2)n[nH]1 1817740729 XVRGPOINSRIJCS-VWLOTQADSA-N 499.615 5.555 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2)n[nH]1 1818229008 ZMXVDDWBBMCKJX-ZJSXRUAMSA-N 469.589 5.546 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3n2)n[nH]1 1819187414 QRCUSLMVUHRMSX-VFNWGFHPSA-N 496.409 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCN(c3ccccc3)CC2)[nH]n1 1819303371 VBMLCFZFIMIZQP-NOZRDPDXSA-N 475.637 5.087 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)cnc2Cl)n[nH]1)c1ccccc1 1819700298 WVZZISYBSYZJOJ-DENIHFKCSA-N 493.970 5.100 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)c1Cl 1820220807 BLSHSZCYMIOROO-JNCYCUAHSA-N 465.985 5.377 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2OCc2ccccc2)n[nH]1 1820237597 POIUFYBVZSCOIN-IIBYNOLFSA-N 499.036 5.266 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)[nH]n2)cc1 1820554198 VTINZGKDRNUMNB-FQEVSTJZSA-N 486.334 5.347 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(Cl)ccnc3c2)n[nH]1 1821382343 CCNKQFMZDBFNEO-QHCPKHFHSA-N 477.996 5.686 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc4nscc34)n[nH]2)c1Cl 1821519768 LPUWAAVKKYYFDJ-FQEVSTJZSA-N 490.976 5.164 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)n[nH]1 1821760059 WLDBLVAIPFVJIN-UHSQPCAPSA-N 497.643 5.079 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1821987554 CXDYJOJIFVBWIC-QFIPXVFZSA-N 480.515 5.719 30 20 JKED Cc1cc2nc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc([C@H](C)C#N)c4)n[nH]3)[nH]c2cc1C 1823215066 MDNJXDFPDCPDRZ-KOSHJBKYSA-N 495.587 5.150 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c(F)ccc(Cl)c3F)n[nH]2)c1 1823273772 CGHJKPVQTLBYPR-VLIAUNLRSA-N 497.933 5.588 30 20 JKED O=C(CCCC(F)(F)F)N[C@H]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)sc2C1 1823296872 RPSNNWONWDJBII-NSHDSACASA-N 497.436 5.259 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)[nH]n1)c1ccc(F)c(C(F)(F)F)c1 1823298874 XTFUIHMZEFXTFW-HNNXBMFYSA-N 492.395 5.216 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCOc2ccc(Br)cc2)CC1 1823608299 CRHLCSTWSWDYOI-XXBNENTESA-N 491.470 5.050 30 20 JKED C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1823685218 NNVNGJWODRLWND-NEKDWFFYSA-N 471.645 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(Cl)c(F)c2)CC1 1823988814 TVYNSGVKFYRVDW-ZJSXRUAMSA-N 461.021 5.410 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 1824143091 GRNNDHKXZFLCKE-JOCHJYFZSA-N 489.454 5.156 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3)CC2)c(C(F)(F)F)o1 1825961062 NFZZIOWLMAUZJZ-OAQYLSRUSA-N 473.495 5.026 30 20 JKED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827683573 DPTODTUIUSFZPQ-RPXOIIGOSA-N 496.648 5.125 30 20 JKED Cc1ccc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)s1 1827684621 KTANCZLOAXTXAZ-LWRDNFPTSA-N 482.671 5.190 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(OCC(C)C)c2)CC1 1827701437 QBPXSVAPLSKEKM-JWQCQUIFSA-N 467.654 5.118 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)c1Cl 1827777877 MPZYPCMQRMHFET-IBGZPJMESA-N 493.913 5.371 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c1 1828153474 OZBKFBVUCKUJDP-VWLOTQADSA-N 474.992 5.240 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)CC1 1828420908 DNFLNPDQCSBMBW-RCZVLFRGSA-N 498.706 5.575 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)CCCC#C[Si](C)(C)C)CC3)cc2s1 1828906806 ITYPDUOGQZGYKI-XMMPIXPASA-N 497.781 5.822 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C)noc2CCC)CC1)c1ccccc1 1829033477 VVRYKRVERKHOTP-CLJLJLNGSA-N 489.660 5.366 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1829066560 JKHKYARQDFCURZ-AREMUKBSSA-N 492.664 5.311 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)cc1 1830013068 PNMLOZLOYWBTFN-XMMPIXPASA-N 483.534 5.053 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)CC1 1830014724 CXWVMUXSWSILTK-VWLOTQADSA-N 482.584 5.069 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C)c3Cl)CC2)c(C#N)c1 1830292641 WOCJKAQMYBNUEV-VWLOTQADSA-N 494.035 5.005 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cc(Cl)cc3Cl)CC2)C1 1830655048 KNPMTZSDKDOHFH-HXUWFJFHSA-N 453.385 5.332 30 20 JKED CC(C)c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830717205 HGQKUONDWDTFOU-HHHXNRCGSA-N 475.608 5.297 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 1831446885 LDWPIHQEMOAPOG-LJQANCHMSA-N 474.470 5.030 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1831447170 YHHPAVKXPYBSLY-LJQANCHMSA-N 458.471 5.150 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c1Cl 1831787282 FMGNPHAHFMVHSG-SDHOMARFSA-N 476.020 5.249 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CC2)CC1 1832370967 LFVIKVQOZFQCAN-SFGWALBWSA-N 490.570 5.032 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)c1 1832629414 PNVXWCYYDLQXAW-NIYFSFCBSA-N 496.026 5.582 30 20 JKED C[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)CC1)c1ccccc1 1838686024 RMCJCYAKRPEYMF-FQEVSTJZSA-N 494.035 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3cc(Br)cc(Cl)c3[nH]1)C2 1844203649 AXLWJPWQDRKWNT-QGZVFWFLSA-N 490.829 5.169 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](C)CC 1847699641 SBMWNQAKSODUCQ-MLCQCVOFSA-N 479.706 5.268 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10173813 SWEXIJSFJFMTKZ-UHFFFAOYSA-O 495.668 6.631 30 20 JKED C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nc2scc(-c3cccs3)c2c1=O 11382741 SRCPMWNCLUSWKQ-UHFFFAOYSA-N 499.042 5.628 30 20 JKED C=CCN(C(=O)CSc1nnc(C2CC2)[nH]1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 11571458 UOCYULGUTZGRKP-UHFFFAOYSA-N 466.419 5.424 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)n(C2CCCC2)c1C 12472761 NMYXMECHFYGLOL-UHFFFAOYSA-N 486.601 5.663 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2ccccc2)c1 16024189 HVUISVVKHGJPDT-SFHVURJKSA-N 485.005 5.221 30 20 JKED O=C(c1ccc(C/N=C/c2cc(Br)cc(Br)c2O)cc1)N1CCCCC1 16937101 UMWOXVAIGRQFQR-YDZHTSKRSA-N 480.200 5.162 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 18324633 LJPQRDGMBVKGHQ-CYBMUJFWSA-N 496.017 6.196 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1-c1ccc(F)cc1 18329729 DHVKLYXOYOJFRM-CYBMUJFWSA-N 479.562 5.682 30 20 JKED C[C@](C#N)(NC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1)C1CC1 20993491 OMWNGOFDAYXDOT-AREMUKBSSA-N 486.622 5.015 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2cc(-c3ccccc3)sc2c1=O 21494526 LHPGCQYZWKNWQZ-MRXNPFEDSA-N 472.595 5.302 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 22733162 CDZMYNZXLRWKSR-UHFFFAOYSA-O 489.404 6.111 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccccc3)n2)n(Cc2ccc(F)cc2)c1C 24510434 HGDSXVZKSAIPJP-UHFFFAOYSA-N 488.544 5.083 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N(CCC#N)c1ccccc1 36801986 NCPABCGUVUSPQE-HXUWFJFHSA-N 465.582 5.633 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)n2)ccc1Cl 248121255 VIVPRJPAOAXIJR-UHFFFAOYSA-N 476.385 5.330 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)cc1 255338342 JQIZIGRUGQVJAF-QFIPXVFZSA-N 480.540 5.083 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)C2)c1 303215342 SOIXPNCWHSQTMJ-DEOSSOPVSA-N 467.569 5.245 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 409450867 AMRUTMPNFUDEJI-ZDUSSCGKSA-N 481.316 5.792 30 20 JKED C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 485799082 HCGOKQCFGSHINW-SFHVURJKSA-N 495.501 5.509 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)nnc2-c2ccncc2)cc1 498104656 BPYWDIJEIFCIIY-QFIPXVFZSA-N 496.640 5.682 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 499096906 YSZLKDAAZYUFLA-UHFFFAOYSA-N 485.968 5.204 30 20 JKED N#Cc1cn(CC(=O)N(C2CCCCC2)C2CCCCC2)c2ccc(Br)cc2c1=O 502819503 HNHLYVNRJKSAQV-UHFFFAOYSA-N 470.411 5.130 30 20 JKED CCOc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 505324947 KSYOPGXDAYHDCC-YADARESESA-N 482.584 5.639 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 509607867 ZGCLEZJMJBHYAB-UHFFFAOYSA-N 452.308 5.548 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1Cl 510012325 YGMXZXQQECWPJW-AHWVRZQESA-N 492.982 5.330 30 20 JKED COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C(C)C)cc1 511561415 IWSRDWWMLJFUFD-RUZDIDTESA-N 457.530 5.061 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C#N)ccc2OC(C)C)c(OC)c1 512796321 FLISVGKTESWQJK-UHFFFAOYSA-N 483.568 6.082 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc(Br)ccc2F)cc1 514060823 UFORWJOVOUQNSB-UHFFFAOYSA-N 470.317 5.511 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 515702962 DBVYDAPKKYFKFC-UHFFFAOYSA-N 475.467 5.524 30 20 JKED Cc1[nH]c2ccccc2c1C1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 515768073 KRKHCBZTWHSZHF-UHFFFAOYSA-N 455.587 5.807 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2cccs2)nnc1-c1ccc(Cl)cc1Cl 517382823 VYUAQZOANSKPEF-CYBMUJFWSA-N 467.447 5.811 30 20 JKED Cc1c(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cnn1-c1cccc(C(F)(F)F)c1 518173038 RLPJDOLXOULBBW-UHFFFAOYSA-N 453.449 5.447 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)cc1 518709286 QRTOEHUWYJESPR-LJQANCHMSA-N 494.686 5.578 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 519442117 YJKIBMODXMEZDU-KBPBESRZSA-N 450.391 5.104 30 20 JKED Cc1nc(-c2ccc(CNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)s2)cs1 519944341 QPWCHKJEVXZJKL-UHFFFAOYSA-N 461.616 5.504 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 519947319 NZFXACHIQYSNHG-UHFFFAOYSA-N 454.555 5.151 30 20 JKED N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)cc1 520087814 DEXKXCWQGDCURV-UHFFFAOYSA-N 451.477 5.733 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 520145310 JJPGGGYFDHWGKS-LJQANCHMSA-N 456.521 5.408 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 521797305 NSDQYMOOQQTFHL-ACJLOTCBSA-N 491.400 5.231 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)cc2F)c1 524461204 NPPOYFGDPOARKQ-UHFFFAOYSA-N 452.489 5.203 30 20 JKED N#CCCCN1C(=O)CCc2cc(N[C@@H](c3cccc(Br)c3)C3CCC3)ccc21 600848311 DOGJZASLSVYDFX-XMMPIXPASA-N 452.396 5.985 30 20 JKED CCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)c1ccccc1OC 603618931 YBLNZYCMOQQKLQ-GOSISDBHSA-N 462.550 5.031 30 20 JKED Cc1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)cccc1C(=O)N1CCc2sccc2C1 603836758 ZFUZOPBLLOMQPJ-UHFFFAOYSA-N 497.576 5.551 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)c2)cc1 603921376 VPCXBVWKOLYFNS-GDLZYMKVSA-N 489.575 5.311 30 20 JKED CCn1c(SCC(=O)Nc2cccc(OCCCC#N)c2)nnc1-c1ccc(Cl)cc1 603971105 PIEPLNCTELGYDM-UHFFFAOYSA-N 455.971 5.032 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cn3cnc4c(oc5ccccc54)c3=O)cc2Cl)cc1 604027189 MMKDBXQPVZUQFC-UHFFFAOYSA-N 470.872 5.099 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCc3cn4ccccc4n3)cn2)cc1 604241809 OVAUNIGUHXHBID-UHFFFAOYSA-N 477.549 5.938 30 20 JKED COc1cc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F 604532164 BTMYAISGBCIXOP-QWRGUYRKSA-N 498.342 5.544 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 608805869 NWUUCDDFGZQDRK-RUZDIDTESA-N 484.512 5.119 30 20 JKED Cc1cc2nc(C)c(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c(C)n2n1 609063245 SJPMKNISHCBKPU-UHFFFAOYSA-N 473.964 5.330 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2F)c1 609107039 SXLVBFPAKBLPBU-UHFFFAOYSA-N 465.912 5.078 30 20 JKED N#CCN1CCC(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CC3)CC1 609328665 QMSUJBDPOSQWQK-HTXNQAPBSA-N 456.977 5.093 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1cccc(C)c1 609371057 WOJKOAUAJIHZTN-SFHVURJKSA-N 463.632 5.565 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)cc1 615000251 KIZSKRADDNYMQU-HHHXNRCGSA-N 455.583 5.351 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)N1CCSc2ccccc21)C(C)C 639394150 CZFNESATHLLWHM-QHCPKHFHSA-N 498.649 5.438 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccccc2)cc1Cl 726408490 FNPPFJBMCWWMOP-HSZRJFAPSA-N 489.000 5.050 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc3c(c2)COC3)cc1 726569871 MYQIBMYQMPYRHE-UHFFFAOYSA-O 488.633 5.414 30 20 JKED O=c1c2cnn(-c3ccccc3)c2ncn1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 727060015 XFPNNFQQIGSRKL-UHFFFAOYSA-N 490.350 5.350 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 727304520 FBCWKLSNORHKID-HHHXNRCGSA-N 466.585 5.245 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NCCc2cccs2)[n+]2ccc(C(C)(C)C)cc2)N=C1C 727813011 FCLZJJMNRVTQNX-UHFFFAOYSA-O 482.695 5.371 30 20 JKED COc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1OCc1ccc2ccccc2n1 727979677 ALJWSDDOKXMEPG-UHFFFAOYSA-N 474.973 6.156 30 20 JKED Cc1cccc(-c2nnc(S)n2CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 728081543 AFUJMKITJCRZRE-UHFFFAOYSA-N 469.570 5.022 30 20 JKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728268973 XFWXNXZXDFQSHC-UHFFFAOYSA-N 454.574 5.399 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2cccnc2)cc1 728422824 LIZLNABWFPYPLJ-MHECFPHRSA-N 483.597 5.237 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCCCC#N)C1=O 728777705 MWRLORXEAWKBAX-HXUWFJFHSA-N 498.992 5.001 30 20 JKED O=C(O)c1ccoc1COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 730946009 BQGCKYMADFKTPV-UHFFFAOYSA-N 489.340 5.293 30 20 JKED Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 731063704 PTDODHQHOYGFDG-QGZVFWFLSA-N 450.585 5.771 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)cc2F)c1 731109355 QUEWDSOXHTWFCQ-AREMUKBSSA-N 477.511 5.393 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)nc1C 731225331 ZJBKLCISUFKZNC-UHFFFAOYSA-N 496.565 5.374 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1ccccn1 731311058 VSYQMXBIXPKPSV-GCJKJVERSA-N 474.586 5.126 30 20 JKED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 745313812 XOQBUDGZOZNSPX-IIBYNOLFSA-N 452.963 5.629 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)cc2F)C1=O)Nc1ccccc1F 745583283 DMJGEKCAQHRLHL-NRFANRHFSA-N 487.478 5.404 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 745991562 YRYBKXBSWPETFN-IBGZPJMESA-N 498.407 5.519 30 20 JKED Cc1cc(S[C@H](C)C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)n2c(nc3ccccc32)c1C#N 746085130 FCIAAUGORJNHGD-LSDHHAIUSA-N 489.582 5.564 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 747434956 UBAVODUFIVWRKY-BGYRXZFFSA-N 457.599 5.716 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 749361099 RALQBJZXEAFXQE-AWEZNQCLSA-N 458.743 5.005 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 749794110 QGVWKRFKECQNET-QHCPKHFHSA-N 487.606 5.765 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Oc2cc(OC)ccc2C(C)=O)c1 912819592 AIGJMWOWXBWTEF-UHFFFAOYSA-N 499.972 5.152 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(CCSc2ccc(C)cc2)C1=O 914537816 GCKWQXIJCWQRTD-SFHVURJKSA-N 495.642 5.170 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C2CC2)[C@H](C)C2CC2)c1 914840979 ACVQZNVKCCGAAD-QGZVFWFLSA-N 459.011 5.124 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 915086128 HMBVNPYAJAADKA-WUFINQPMSA-N 459.549 5.322 30 20 JKED N#Cc1cccc(COc2cccc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)c2)c1 915984257 DPUHKHFPZRVBFU-WSDLNYQXSA-N 472.547 5.241 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)cc1 916205629 IJCDWQPRAAWWHT-HSZRJFAPSA-N 458.587 5.366 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(F)cc2)C1=O 916208599 MOSXHTKGEOJEOW-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)c(Cl)cc3OC)C(=O)N2C2CC2)cc1 916214471 MMWDKUAQTQGENN-NRFANRHFSA-N 488.009 5.178 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1c(F)cccc1Cl 916367343 ZKNJPYAMXGYEHT-IBGZPJMESA-N 476.961 5.071 30 20 JKED COc1ccc(Br)c(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 916679284 MTTCPTIRKAQNMZ-NRFANRHFSA-N 450.336 5.435 30 20 JKED O=C(NCCSC(F)(F)F)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 916682559 SKXAIOOTNNCDDB-UHFFFAOYSA-N 469.382 5.471 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)O[C@@H](C)C2 916886101 DKJJNKMDGYZOKK-PXZGOCAYSA-N 472.513 5.084 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(COc2ccc(F)cc2)o1 916904602 GYKJHHASCHJZML-QFIPXVFZSA-N 470.456 5.751 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc1ccc(Br)cc1 916906893 KUZQXOQRVIFMKM-AUUYWEPGSA-N 459.409 5.402 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 916914316 YJHAKOQIPMHPKU-JOCHJYFZSA-N 490.357 5.225 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(SCc2csc(C)n2)cc1 916925867 PWPQZHMBGFIJHT-LJQANCHMSA-N 451.573 5.104 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(OCc3ccccc3)cc2)cs1 917562736 JGKQSSPOWKUOSV-WJDWOHSUSA-N 488.996 6.956 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c1 917671040 JASHEBZPPNRNFH-JXALWOEJSA-N 494.636 5.030 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccnc(C)n2)c1 917674905 XRLYYZINRXWMMS-XMMPIXPASA-N 487.629 5.179 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H]3CCN4CCC[C@H]4C3)C2=O)cc1Cl 917674953 BRWQRBNRABBFFS-FUDKSRODSA-N 497.064 5.236 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccc(F)cc1 917677497 GJJLMYPPQWXPSG-QGZVFWFLSA-N 484.380 5.129 30 20 JKED CCC(=O)N1CCc2cc(C(=O)COC(=O)c3ccccc3Sc3ccccc3C#N)ccc21 918842563 CPVAZMQUGJEOGW-UHFFFAOYSA-N 470.550 5.048 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)Nc1cc(Cl)ccc1Cl 919513890 JLMJFJJTHIZEDI-CYBMUJFWSA-N 459.285 5.221 30 20 JKED C[C@H]1CN(c2ccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)cc2F)C[C@@H](C)O1 919652654 CHZIIVSWTRXWHA-XJFOESAGSA-N 471.417 5.034 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C\C(=O)c2nnn(-c3ccc(C)cc3)c2C)cs1 920067456 GWPLMQAPEWHZAR-ZROIWOOFSA-N 457.559 5.230 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)n2)cc1 920143570 RMAAWMANEBDQHK-GGAORHGYSA-N 475.570 5.186 30 20 JKED CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)nnc1-c1cccs1 920143613 SMBNBVNYOUTDOX-MRXNPFEDSA-N 481.628 5.127 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 920323788 JTYUVHZJGVMZFD-VWLOTQADSA-N 456.505 5.654 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920354280 BUFHZSMNKGQXLA-NRFANRHFSA-N 482.993 5.414 30 20 JKED CCOc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1OCC 920984050 AIKVCARAUPOVJZ-UHFFFAOYSA-N 467.978 5.766 30 20 JKED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 1781687682 PLTPHVAKJSJVBV-GNMGOMLTSA-N 487.084 5.268 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccncn4)noc3C)CCC2)cc1 1785842685 IELNDLKITJWGMY-UHFFFAOYSA-N 473.577 5.180 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)CCc4cccc(C#N)c4)cc3)CCC2)no1 1786041075 FZGQGGHAZPFNOY-UHFFFAOYSA-N 456.546 5.050 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H](NC(C)=O)c3cccc(Cl)c3)CCC2)cc1 1786103509 YBBLHVIGOSTXPF-RUZDIDTESA-N 494.035 5.420 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4OCCc5ccccc54)cc3)CCC2)cc1 1786314536 UICPLUOQVCTMJQ-HHHXNRCGSA-N 479.580 5.204 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)CCC2)cc1 1786394844 IHNAAKVPTWJDDY-HXUWFJFHSA-N 490.551 5.055 30 20 JKED CC(C)(NCCC#N)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(C)(C)C)s3)CCC2)cc1 1788028873 NYIDRPKVBGWDCE-UHFFFAOYSA-N 466.651 5.075 30 20 JKED Cn1ccc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)c21 1789060911 PCLPWQPJOSZVQT-UHFFFAOYSA-N 462.553 5.306 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cc2)CCC1 1789225102 VVNZLLWXLFKWMT-UHFFFAOYSA-N 464.363 5.092 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4cc(Cl)ccn4)cc3)CCC2)c(Cl)c1 1789620845 DZRKNYBWBTUXTH-UHFFFAOYSA-N 495.366 5.087 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)S)CCC3)cc2)ccc1CNC(=O)OC(C)(C)C 1790065536 FOYFPKIYLASEDK-SFHVURJKSA-N 497.661 5.086 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-n4ccnc4)ccn3)cc2)CCC1 1790168779 HCRAREWUDPIGCI-UHFFFAOYSA-N 499.691 5.066 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4F)CCC3)cc2)cc1 1790289670 MMDTVCICKYKWHH-UHFFFAOYSA-N 452.489 5.240 30 20 JKED N#Cc1c[nH]c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C(F)(F)F)c(F)c4)cc3)CCC2)c1 1790650193 MKRFDMFPBKKAFM-UHFFFAOYSA-N 470.426 5.106 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cnccc5[nH]4)CCC3)cc2)c(Cl)c1 1790767903 PXTBQCFHXQPGEB-UHFFFAOYSA-N 469.932 5.149 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCc4cccc(Cl)c43)cc2)CCC1 1791141707 YLQGLCUNTUJVHE-OAQYLSRUSA-N 480.992 5.013 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(C)C)C(C)C)CCC2)cc1)c1ccc(O)cc1 1791646405 LIANGUZBUSOHMY-LXFBAYGMSA-N 489.660 5.046 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C(F)(F)Cl)cc3)CCC2)cc(C(F)(F)F)c1 1791723118 MEAWVTKEHQQTSM-UHFFFAOYSA-N 471.813 5.156 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)c4ccccn4)CCC3)cc2)cc1C#N 1792168900 MONGINNQDUTPRA-HXUWFJFHSA-N 482.584 5.292 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2F)[C@H]1c1cccnc1 1802500173 LGGDRJYZVQQJMS-NVQXNPDNSA-N 493.623 5.322 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)C3)[C@@H]1c1cccnc1 1802503025 KENQPLRULPOXNY-LADGPHEKSA-N 475.633 5.107 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1804942951 NMRBRPDUIAJANJ-UHFFFAOYSA-N 492.623 5.016 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)C1 1805457185 WWVBFIQYEBQGNZ-ZEQRLZLVSA-N 455.042 5.443 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)oc2C)[C@@H]1c1cccnc1 1805687134 MZPFAITUFLBQKU-RQTOMXEWSA-N 463.622 5.369 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808155243 DFRJHPOEHNHTLU-NBGIEHNGSA-N 493.051 5.837 30 20 JKED C=CC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)no3)C2)CC1 1810372852 QQNCFEJFPSBCQD-SFHVURJKSA-N 455.986 5.052 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CCc2ccccc2F)[C@@H]1c1cccnc1)c1ccccc1 1810446645 FTLKQQDVLWGHFI-HRHHFINDSA-N 497.614 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1810500606 UQBVQKDIPGBUGQ-ATIYNZHBSA-N 470.617 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1810500610 UQBVQKDIPGBUGQ-GJZUVCINSA-N 470.617 5.250 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2c3ccccc3n3ccsc23)[C@H]1c1cccnc1 1811286293 LVWHBKCZUYUISU-XLGIIRLISA-N 498.652 5.637 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c(Cl)c1 1811426526 YWLWNPCEJMXLHF-YADARESESA-N 493.394 5.202 30 20 JKED Cc1ccccc1CCC(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1 1812749844 AYLNRCRCNJERML-UHSQPCAPSA-N 489.736 5.080 30 20 JKED CC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)CC1 1812902079 OCMVCNYMLSGSMR-LADVCJOISA-N 481.757 5.355 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 1813226432 OZCGQKYQQHKXOC-WZONZLPQSA-N 491.941 5.267 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)[nH]n1 1814443285 RDJRVXGOLTYFHX-LJQANCHMSA-N 451.596 5.318 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1 1815587650 LIJMTPKAYMVNDY-NOZRDPDXSA-N 491.680 5.306 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1815655448 PXOUKBRRMLXHIG-QHCPKHFHSA-N 499.640 5.555 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)c1 1817828161 KGOBFMDOSLJTGO-FOIQADDNSA-N 473.558 5.464 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2c[nH]c3cc(OC)ccc23)n[nH]1 1818816750 UTXDPWDCXPHKFU-MYILAFDMSA-N 487.604 5.374 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ncsc23)n[nH]1 1819152543 WLTIJFMVJKJDLO-IBGZPJMESA-N 451.596 5.318 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821126906 BFBZVDYKFZFGRP-FZKQIMNGSA-N 499.921 5.189 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)n[nH]2)cn1 1821151434 MBXDXOIPGMRNFT-HHHXNRCGSA-N 489.579 5.133 30 20 JKED Cc1cccc(C)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1821193351 VTJCICDJSJNDAI-WMZHIEFXSA-N 455.562 5.273 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821202011 MNGHEAVIKVQSGQ-MAUKXSAKSA-N 473.401 5.116 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3Cl)n[nH]2)oc2ccccc12 1821277495 APVJPZZEUDMRPW-OAQYLSRUSA-N 487.947 5.609 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4c3oc3ccccc34)n[nH]2)c1 1821611851 SZNNTMCQMWBNSY-XMMPIXPASA-N 489.535 5.800 30 20 JKED C=CC[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC=C(C)C)[nH]n1)NC(=O)OC(C)(C)C 1823347797 GTVHENMSNOOWQM-TZIWHRDSSA-N 487.645 5.008 30 20 JKED Cc1cc(F)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1F 1824054778 NIIBRWJSVKBGKJ-SANMLTNESA-N 479.571 5.011 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 1824142996 DMYNJTWHMDIEBV-JOCHJYFZSA-N 467.635 5.405 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2O)CC1 1824143281 KKSZUWLUYDZPGR-HSZRJFAPSA-N 450.579 5.140 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2OCCc3ccccc32)CC1 1824421459 LGPPVCDPHQFTPN-IZZNHLLZSA-N 466.666 5.303 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cccnc2C)CC1)c1ccccc1 1825047752 ZCNMBTXOBBRVFM-VMPREFPWSA-N 485.672 5.140 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccco2)CC1)c1ccccc1 1825265617 YGASDLSMUMYSGL-LSZUOZHKSA-N 458.602 5.110 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 1826325282 WIKUNVBVEGOANX-HSZRJFAPSA-N 456.030 5.075 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)c1 1826401002 MDAHUHAHBIXZPT-MUUNZHRXSA-N 483.587 5.327 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1827728847 WJURSAQTYLPWNA-AZGAKELHSA-N 491.632 5.352 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccccc4o3)CC2)c1Cl 1828188764 MAIZDYRFOCAKTN-JOCHJYFZSA-N 475.976 5.505 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828745598 SEADJOYDNGHTJE-YKSBVNFPSA-N 468.041 5.823 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1828776857 DQSLJBXTDITVMO-PGRDOPGGSA-N 467.660 5.034 30 20 JKED C[C@@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1828778136 OJOJBCJSMYCWAR-VGOFRKELSA-N 485.650 5.173 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1)c1ccccc1 1829029311 AWJZNNHFOTUDLS-SDHOMARFSA-N 470.604 5.239 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccnc(C(F)F)c2)CC1)c1ccccc1 1829031321 YJIOSENPGKEWIG-AZGAKELHSA-N 493.598 5.450 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3c(c2)COC3)CC1)c1ccccc1 1829031951 HREUKXBPTWGESB-FQLXRVMXSA-N 484.640 5.147 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1829035320 PCTIMKSOBLLFTL-WDYNHAJCSA-N 499.655 5.076 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1829068695 KYVIIYWNKKKNFR-QFIPXVFZSA-N 476.702 5.357 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)CC1 1829570191 IZTZQGPVEADIER-URXFXBBRSA-N 489.616 5.048 30 20 JKED CCCCC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(OC)c2)CC1 1829678024 WGJBHIVZDFFIMO-NBGIEHNGSA-N 453.627 5.017 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)ccc3F)CC2)c(Cl)c1 1829885551 RBOHZAQFKNBQJW-QHCPKHFHSA-N 471.935 5.037 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)c1 1829956881 WGUCJQFEYYLBGS-NOZRDPDXSA-N 476.020 5.175 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 1830455430 BLQHPVKAQUVRJW-IZZNHLLZSA-N 477.649 5.037 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)cc1 1830533945 KCLKSRIZIUBMBY-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)cc(OC)cc2C)CC1 1830695156 KMHWCMOIGJNSEB-JWQCQUIFSA-N 452.639 5.314 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1)c1cccs1 1830990920 MLJYXHPMPHHQCU-DGSRBQDKSA-N 476.598 5.167 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2N2CCCCC2)CC1 1831373137 BBJPERGHLCTXKA-RCZVLFRGSA-N 451.655 5.122 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1C#N 1831791688 SFOIAPVJPWVQJX-KCHLEUMXSA-N 499.655 5.382 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCc4ccccc43)CC2)c1Cl 1831977016 GSZYBOAYMWXEHT-UKILVPOCSA-N 476.020 5.175 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cccc(Br)c3[nH]2)CC1 1832030252 JJMLFLZWQQYQNO-HSZRJFAPSA-N 498.465 5.357 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)Cc2ccccn2)CC1)c1ccccc1 1832084639 BWNNEEJJALCCII-OFQAEJFBSA-N 485.672 5.077 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(F)c1F 1832616357 LXUOZKICIDRPLC-YADARESESA-N 479.571 5.447 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 1832757017 OIUVOLDHHWLZPE-ISKFKSNPSA-N 491.717 5.294 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1832922724 UMDPKGPMWGRVJE-DHIUTWEWSA-N 491.717 5.292 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccccc1Oc1cccc3ccccc13)C2 1841611377 LRGNZTRNYQDVRK-NRFANRHFSA-N 470.569 5.040 30 20 JKED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)[C@H](CCCCCCCC)NC(=O)OC(C)(C)C)C1 1845227315 JKNMVIZNGYPLHC-FQEVSTJZSA-N 499.643 5.045 30 20 JKED CC(C)Cn1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9847460 OVEFCZMVGMUHGL-UHFFFAOYSA-N 474.417 5.557 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)ccc1C)=C(/S)Nc1ccc(OC(F)(F)F)cc1 10174169 VRLZVTCPAAJKQL-UHFFFAOYSA-O 473.540 6.103 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccccc2Cl)cc1 10826088 ZDQZUSBSNMDZLP-UHFFFAOYSA-O 455.003 5.388 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)cc1 11249612 KLXMEUIGBXGCMR-UHFFFAOYSA-O 465.589 6.305 30 20 JKED Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)c3cnn(C(C)C)c3n2)s1 11261231 QAZOTJFLNBAUFU-INIZCTEOSA-N 473.558 5.105 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(C(C)C)cc1 11262874 KKPXLNDUCFFZNI-UHFFFAOYSA-O 462.639 5.858 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccc(OC(F)F)cc3)o2)sc2c1CCCC2 11748965 RHLAPJQUWVZCDJ-UHFFFAOYSA-N 476.530 5.271 30 20 JKED C[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccccc1)N1CCCCC1 18438071 PEURJZMROBAKMN-ZWKOTPCHSA-N 495.052 5.459 30 20 JKED Cc1ccc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)c(C)c1 21174659 YXRBDTMEGFJOKE-UHFFFAOYSA-N 486.622 5.349 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccc(F)cc1 22100653 SLDYKNWQUNVWAN-LJQANCHMSA-N 472.589 5.657 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 22731728 KCCDHCMNACOKIF-UHFFFAOYSA-O 495.493 6.154 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1 23592342 FVPPHPVTBHIFHO-DVECYGJZSA-N 492.645 5.145 30 20 JKED C[C@H](c1ccccc1)n1c(SC[C@H](C#N)CCC#N)nc2ccc(Br)cc2c1=O 24097063 UVWCKNHMJJWYTB-CVEARBPZSA-N 467.392 5.304 30 20 JKED N#CCCN(C(=O)COC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccccc1 24640903 WBIMQRRIVCYJLE-UHFFFAOYSA-N 454.482 5.115 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)c1C 28695794 BPWYVOHUQMJVQH-UHFFFAOYSA-O 460.501 5.191 30 20 JKED CCOc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2C#N)c2c[nH]c3ccccc23)cc1OC 29010283 GQLRJMKJAKJLIH-CVDCTZTESA-N 483.568 5.162 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)cc1C 29500880 MEKBVWOUBXVQBA-UHFFFAOYSA-N 492.601 5.447 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 30989322 YULYOPXHYKFKII-UHFFFAOYSA-N 474.611 6.027 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccccc1F 218659125 PGBWKTXLJFRKHP-SECBINFHSA-N 472.414 5.085 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 302952854 AWIOGSMZSSXWHV-UHFFFAOYSA-N 457.530 6.027 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCCNC(=O)c1cccc(Br)c1 303101434 HVROJVSTQWNBDL-UHFFFAOYSA-N 494.414 5.022 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)cc2)c1 303394861 YTGQLFKIYRBVHB-UHFFFAOYSA-N 459.590 5.934 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1 410385080 VKTZILHQPYORGL-KRWDZBQOSA-N 498.564 5.299 30 20 JKED Cc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cnn1-c1ccccc1F 487318039 GPBDQMVEWVFFRH-UHFFFAOYSA-N 485.466 5.510 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H](Oc3ccccc3)c3ccccc3)s2)cc1 491480912 RWOYGQJRMLBWMJ-NRFANRHFSA-N 458.568 5.461 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 500253549 PCFAMMIDOJQKPM-UHFFFAOYSA-N 489.604 5.233 30 20 JKED N#C[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(OCc2ccccc2)cc1 500650983 WTTNQWOJLOABJM-OAQYLSRUSA-N 478.430 5.329 30 20 JKED CCn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1Cl 502626676 IUANDJLXEIEYAI-UHFFFAOYSA-N 466.781 5.528 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](CO)Cc2ccc(F)cc2)cc1Cl 502738081 CLHQOYHBVTVCNU-WZONZLPQSA-N 451.929 5.107 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)n2)cc1 503539877 FKQAGAIWPLFKAI-MRXNPFEDSA-N 456.508 5.024 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)c2)cc1 503928855 OCSMXTDPBDTIKC-UHFFFAOYSA-N 489.019 5.771 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1 508273642 LGMRMPBKNURJDK-AUSIDOKSSA-N 456.546 5.316 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2cccc(C(F)(F)F)c2)no1 508857350 WXKLUQRCHACELF-UHFFFAOYSA-N 457.481 5.416 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)cc(OC)c1OC 509413825 DWJFPVGGQUAGDV-UHFFFAOYSA-N 491.544 5.346 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2Cn2cccn2)cc1Cl 510009411 ILAVNGBQOVAPCK-XMMPIXPASA-N 455.949 5.562 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 510273430 VGQBDQOSYAKAQV-UHFFFAOYSA-N 453.523 6.225 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1cccc2ccccc12 511421199 FLGLUWWBQUMEMP-IQGLISFBSA-N 467.956 5.965 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1 511422943 WKSVPCVUEPSYFP-UHFFFAOYSA-N 496.611 5.077 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1OC(F)F 511435222 BAZJCDQXLNEFOO-UHFFFAOYSA-N 481.499 5.606 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)cc2F)c1 511858652 IPMLIWFIZCHEQB-QFIPXVFZSA-N 495.963 5.084 30 20 JKED Cc1csc(Sc2ccc(NC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)n1 513559087 TWKSYCPNLPHXLF-UHFFFAOYSA-N 492.586 5.077 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(OCC(F)(F)F)nc2)cc1 513980042 NFKSRPZRPCSLRN-UHFFFAOYSA-N 458.415 5.268 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc(NC(=O)c2ccc(Br)o2)c1 514075843 MXOORJKKLWZJRE-UHFFFAOYSA-N 486.325 5.342 30 20 JKED CC[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1OCC(=O)N1CCCC1 517532929 RYXJNOBRCYWFQO-TZIWHRDSSA-N 480.634 5.355 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 518652802 DTNOPEYODYFBJC-INIZCTEOSA-N 460.584 6.015 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 520924498 ZDOLFCDDBXLSJB-GOSISDBHSA-N 450.585 5.307 30 20 JKED COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 520962023 MTDXUWQKEIWGCA-KRWDZBQOSA-N 483.490 5.454 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 521738106 GSNZWAGHNIRWIY-GOSISDBHSA-N 479.499 5.022 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 521746228 DMTDTJIHDXAAGG-KRWDZBQOSA-N 464.557 5.553 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 521749874 WKGSENACJFVLNJ-UHFFFAOYSA-N 485.968 5.202 30 20 JKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1cccc(Cl)c1Cl 521769450 CIUQCHUHSZMJNO-OAHLLOKOSA-N 493.144 5.596 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1 523252479 NNTCGCSWKDIIBD-JOCHJYFZSA-N 467.928 5.090 30 20 JKED CCn1c(SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)nnc1-c1ccco1 524389376 CJXHAUNDQJVHFL-UHFFFAOYSA-N 473.558 5.048 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(N2CCCCCC2)nc1 524439526 ZEBBXBMRGOSUSK-UHFFFAOYSA-N 469.589 5.543 30 20 JKED C=CCn1c(SC[C@H](O)COCc2cccs2)nc2scc(-c3ccccc3)c2c1=O 549780481 VPIYPVCFOFIUBM-QGZVFWFLSA-N 470.641 5.042 30 20 JKED CCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)Nc1ccc(Cl)cc1Cl 578780502 UYJJCXOISAHVPM-UHFFFAOYSA-N 479.433 5.095 30 20 JKED C=CCN(C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 596104281 YTNPDEQZJDJRDJ-HXUWFJFHSA-N 491.555 5.077 30 20 JKED Cc1sc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)c(C#N)c1C 603750443 NPXKFQWBFLETGZ-UHFFFAOYSA-N 468.376 5.433 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603969058 YGXDDLYIDFPRCY-UHFFFAOYSA-N 469.526 5.262 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c1 604003096 BAOUYPWTLGIRKX-XMMPIXPASA-N 481.596 5.439 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2Cl)cc1 604027087 DCUZXBRXSGTJFA-UHFFFAOYSA-N 482.849 6.461 30 20 JKED COc1cccc(NC(=O)[C@H](Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc2)c1 604045617 BCKSPWFLGWDVIH-GDLZYMKVSA-N 477.564 6.132 30 20 JKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C2CC2)o1 604464647 HQQOTXSHCXOOIE-BXKMTCNYSA-N 455.514 5.197 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2cc3ccccc3cc2c1=O 609370802 YKYBGKZCEFHSAT-QGZVFWFLSA-N 488.638 5.552 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cccs2)cc1 609400598 LNIXEYXBMIUSSK-XHNVNVPESA-N 491.682 6.358 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 609400751 VAVIIJGWRQVZKI-CJAUYULYSA-N 489.666 5.723 30 20 JKED Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 609414194 SDZCANFEQPKGDN-QGZVFWFLSA-N 482.293 5.133 30 20 JKED O=C(NCCc1ccc(C(F)(F)F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 641856422 WNRDYNDEZUPULF-UHFFFAOYSA-N 495.345 5.901 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1F 726400185 OWOWTHDXOOSEJC-UGSOOPFHSA-N 498.407 5.518 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(OC(C)C)cc3)N(Cc3cc(C)on3)C2=O)cc1 726415421 LACXNTTUWQXXCS-HSZRJFAPSA-N 492.601 5.239 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1cccnc1)c1cccs1 726420060 HBHOPEVUKMKWOX-YAGFKHCRSA-N 464.616 5.294 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3c(C)noc3C)C2=O)c1 726422437 WCRRXGFACVULEO-JCPNLMEESA-N 496.658 5.560 30 20 JKED FC(F)(F)c1cccc(CNC(=S)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 726457048 NLVCPDDGMZIYDR-VXGBXAGGSA-N 452.386 5.579 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)cc2OC)[n+]2ccc(C(CC)CC)cc2)c1 726573108 ZSQIKUCIZUNDKX-UHFFFAOYSA-O 487.645 6.200 30 20 JKED Cc1nc(/C=C/c2cn(C)nc2-c2ccncc2)sc1C(=O)/C=C/c1cn(C)nc1-c1ccncc1 726849224 ZXHVUVIQJYQJII-YDFGWWAZSA-N 493.596 5.109 30 20 JKED N#Cc1cccc(COc2ccc(NCc3cccc(C(=O)N4CCCCC4)c3)cc2Cl)c1 728051706 CRKIMLCFQYBRLW-UHFFFAOYSA-N 459.977 6.029 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2csc(NC(=O)c3cccs3)n2)c1 728181455 IUGBDOFWDFYNOB-UHFFFAOYSA-N 463.609 5.276 30 20 JKED C[C@H](C#N)Oc1ccc(/C=C2/CN(c3ccccn3)C/C(=C\c3ccc(O[C@H](C)C#N)cc3)C2=O)cc1 728699605 VKJWMCJAZUXNMP-NPTQSTSPSA-N 490.563 5.220 30 20 JKED CN(C[C@H]1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1)C(=O)OC(C)(C)C 728737103 JEGNMETVEYVIFK-XXBNENTESA-N 497.039 6.106 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)cc1C 728776070 HQDMFUZWLFUVIR-OAQYLSRUSA-N 470.545 5.236 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CCCCC#N)c1 728776710 DOXJTQROKUQEBH-HXUWFJFHSA-N 488.535 5.668 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 729317792 YJQGLOXJRJZPEN-DEOSSOPVSA-N 486.572 6.039 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCc3c(C)noc3C)C2=O)c1 730444193 JSGQMXLFNUSJBY-QHCPKHFHSA-N 476.602 5.111 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCc3c(C)noc3C)C2=O)cc1 730445092 UNPXCLDKDZKNNA-JOCHJYFZSA-N 497.020 5.456 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(C2CCC2)C1=O 730460535 AWELCAYDOHWOQY-HXUWFJFHSA-N 475.973 5.309 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(C3CCC3)C2=O)cc1 730460901 IKNJLERNLKEUEU-HXUWFJFHSA-N 455.967 5.055 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1C#N 731063129 IUKMTSDLRGVXCI-GOSISDBHSA-N 455.539 5.415 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1 731065094 VIRYUBHKIKVLQV-INIZCTEOSA-N 479.583 5.190 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 731066341 AKZYUMVGSNTXED-GOSISDBHSA-N 488.569 5.378 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)Nc3ccccc3SC[C@H](C)C#N)cc2F)C[C@@H](C)O1 731114232 KQGXXQVYXMRWAH-KURKYZTESA-N 456.587 5.013 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)c1C 731308987 RSZPMTQONLOSMH-XMMPIXPASA-N 484.581 5.041 30 20 JKED CCOC(=O)/C(=C\c1cccc(OCc2ccccc2C#N)c1)c1nc(O)c2c(C)c(C)sc2n1 731317833 DEBUNMCSUAIGOA-XKZIYDEJSA-N 485.565 5.568 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)cc2F)C1=O 745585054 SNJMKTXCQWTRMJ-JOCHJYFZSA-N 481.524 5.134 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)c1 746697566 GXXADMOIPOGHOU-NRFANRHFSA-N 471.598 5.218 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 746698046 SQOLSQSFPNFQJS-FQEVSTJZSA-N 477.989 5.256 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 749338989 WJKYWAXIFGNLBR-GOSISDBHSA-N 487.553 5.873 30 20 JKED CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 750686456 GYCUZWWKZBCKBX-UHFFFAOYSA-N 478.593 5.100 30 20 JKED Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cnn(Cc2ccccc2Cl)c1 767110352 SMZIVURKNFKBMY-UHFFFAOYSA-N 459.962 5.214 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1ccccn1 837283684 GRZGZQJFKBTSLC-VGSWGCGISA-N 494.567 5.698 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1cccnc1 837301378 JJDKYHWHKQORBJ-VGSWGCGISA-N 462.550 5.251 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2)cc1 839414452 MEZZTMFOEBMVNY-UHFFFAOYSA-N 460.559 5.006 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(C)cc2)c1 913117685 CXLMKBHPXCFXFU-DEOSSOPVSA-N 486.597 5.114 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O)Nc1cccc(Cl)c1 916210756 IEKVZHVMHLSHEA-KRWDZBQOSA-N 465.909 5.064 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 916211076 LJRANJKLANFYLZ-GOSISDBHSA-N 480.417 5.380 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C2CC2)C1=O 916211308 MCXPWCCVGDNVLC-GOSISDBHSA-N 479.936 5.373 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 916211915 SDINFBDWYCDWMW-QFIPXVFZSA-N 479.989 5.509 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 916212266 VJXUMJVXYKLPRV-SFHVURJKSA-N 467.488 5.605 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C[C@@H]2CCCO2)cc1 916213480 DTEDBDXPZWPJSH-JTHBVZDNSA-N 465.619 5.005 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccn2)cc1C 916216600 XLFRTFCQXOIJCQ-HSZRJFAPSA-N 476.577 5.041 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(F)(F)F)c3)N(C[C@H]3CCCO3)C2=O)cc1 916217483 ODGQUXIVAADOBC-UXHICEINSA-N 491.535 5.153 30 20 JKED COc1cccc(-c2nc(C=Nn3c(S)nnc3-c3ccc(Cl)cc3Cl)cs2)c1 916276688 HBNSRSTYEWNAFF-UHFFFAOYSA-N 462.387 5.555 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916903308 MKRPQJUADSNYCB-LJQANCHMSA-N 460.555 5.272 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 916905146 AWHFXSNADJVAKU-HXUWFJFHSA-N 468.479 5.286 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1Cl 916939347 GCEYCSWMFSQPIP-HXUWFJFHSA-N 470.916 5.162 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 916955957 WCJVOXKTCSIEDR-MGPUTAFESA-N 477.586 5.610 30 20 JKED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1nc(-c2ccc(Cl)cc2)cs1 916975383 CCMYADBFNBJXLS-GOEBONIOSA-N 456.354 5.346 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916975444 COKLWUBUDMKFMU-WOJBJXKFSA-N 484.046 5.500 30 20 JKED C#CCN(Cn1nc(-c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1=S)[C@@H]1CCc2ccccc21 917456507 JUDMFMZRBLAYHI-HFZDXXHNSA-N 483.641 5.322 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cs1 917561732 LTLPHNWCEKUTMG-UITAMQMPSA-N 451.762 6.684 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\SC(=Nc3ccccc3C)NC2=O)cs1 917563657 RHBCGMPWKWIUGM-ODLFYWEKSA-N 468.991 5.681 30 20 JKED 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N#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828508084 LYHCLFANJZXNTM-QHCPKHFHSA-N 482.422 5.139 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1828825632 ZDJAVDVIDPDOLX-WIOPSUGQSA-N 481.040 5.285 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828829262 ZQISYDICIJRBSA-OFVILXPXSA-N 468.041 5.823 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccncc3-c3ccccc3)CC2)cc1 1830015419 OTZYOCHLFSCTAB-MUUNZHRXSA-N 478.596 5.167 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1830171820 AFKQZTTVGYTKHU-MZYLBHOOSA-N 491.717 5.148 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)cc1 1830627676 HZZZVQYGPAOFFV-JOCHJYFZSA-N 485.415 5.002 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCCCC(F)(F)F)cc2)CC1 1830794928 JJFCGQZDNSDCPT-QFIPXVFZSA-N 493.570 5.191 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cccc(Cl)c3c2)CC1 1831017147 BAFUFQRJIMIPKK-ATIYNZHBSA-N 480.052 5.890 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)CC1 1831177729 SHKOSRHILBPYNX-GDLZYMKVSA-N 499.655 5.563 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831306614 YIKAWOWNKFQGFS-DEOSSOPVSA-N 455.042 5.185 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1831447899 YPTLDOYCCWUCNG-FHWLQOOXSA-N 464.519 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831726019 NMECJHRBFXWLNU-IGKIAQTJSA-N 479.640 5.628 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCSCc2ccc(C)cc2)CC1 1831747097 PHCQEXYXPCXSFY-AREMUKBSSA-N 486.722 5.221 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2Br)CC1 1831970225 LVXJNSMTFSZXMZ-MOYZMFQZSA-N 493.511 5.036 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](C)Cc3ccco3)CC2)c1 1832283642 GPFTZUJJTYHXFG-IPVFLDMMSA-N 461.606 5.019 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1 1832631038 QXXRDDNEOSSLCS-GCJKJVERSA-N 475.555 5.280 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1832633707 MTXDQHBCTWSHNE-KBMIEXCESA-N 497.561 5.880 30 20 JKED Cc1cnc(Cl)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832633846 FKJWDCDYJMNKAT-NTKDMRAZSA-N 479.024 5.218 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cc3ccc(F)cc3)cc2)CC1 1832828020 LMZBPWXEQKJBMG-HHHXNRCGSA-N 460.593 5.063 30 20 JKED O=C(/C(=C(\S)Nc1ccc(OC(F)(F)F)cc1)[n+]1ccccc1)c1ccc2c(c1)CCC2 10174185 BEELJUZHHFBAIA-UHFFFAOYSA-O 457.497 5.412 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(F)c(Cl)c2)[n+]2ccc(N(C)C)cc2)cc1C 10756870 JGNRKBCHENPQDX-UHFFFAOYSA-O 456.994 5.500 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1ccc(Cl)c(Cl)c1 11158463 RTALKEQHTHDROJ-UHFFFAOYSA-O 475.377 5.802 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 11491139 ICARYEJHUHTFBF-UHFFFAOYSA-N 493.610 5.022 30 20 JKED COc1ccc([C@@H](CNC(=O)COc2ccc(C#N)cc2Cl)c2c[nH]c3ccccc23)cc1 19357730 JJZUNQDQWPNKMN-OAQYLSRUSA-N 459.933 5.029 30 20 JKED N#Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 20969277 QPIUCIISRKCTQQ-QGZVFWFLSA-N 458.370 5.814 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2ccccc2CC)cc1 22732605 QKKFWCQAWYICCN-UHFFFAOYSA-O 484.439 5.749 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)c1C#N 27493097 WUSRZKGXNWBKDI-KRWDZBQOSA-N 478.025 5.201 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 32484071 RUEIVAKFIIIFRK-NRFANRHFSA-N 453.567 5.767 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 32789389 HPBOINVJPNJXJB-AREMUKBSSA-N 468.626 6.144 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)nnc1-c1ccoc1C 36235433 QSRWXHXHSMGMOL-UHFFFAOYSA-N 493.658 6.391 30 20 JKED CN(c1ccc(OC(=O)C2(C#N)CCCC2)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 71807998 YMWSQMMCVVSDPK-UHFFFAOYSA-N 486.899 5.173 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COc4ccccc4C(N)=O)c3C#N)C(C)(C)C2)o1 216289840 QVUFLIQKAFUCRP-LUAWRHEFSA-N 487.581 5.416 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1 254913220 ZCZSPZKDARYTIW-OAQYLSRUSA-N 451.523 5.142 30 20 JKED C=CCn1c(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)nnc1-c1ccncc1 255929429 CKEYAWIILXZUJX-UHFFFAOYSA-N 484.629 5.803 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(COCc3ccccc3)c2)cc1 480223166 UBDAURPJKHZMDV-UHFFFAOYSA-N 478.617 6.497 30 20 JKED C=CCN(C(=O)c1nn(-c2ccccc2)cc1OCCC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 482243016 LAKNOHACRLIDGA-UHFFFAOYSA-N 489.557 5.526 30 20 JKED N#C[C@@H](C(=O)c1cc2cc(Br)cc(Br)c2o1)c1nc2ccccc2s1 492707184 URPJAMQYMZCMGM-NSHDSACASA-N 476.149 6.058 30 20 JKED N#Cc1ccsc1C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 497979401 FAQLWGLIBGWLSH-UHFFFAOYSA-N 461.412 5.957 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)s2)cc1 500122862 JQLFKQTWYZUBBM-NRFANRHFSA-N 494.548 5.739 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)cc2)cc1 501156837 AMGBRVBDTPZAMJ-UHFFFAOYSA-N 474.524 5.125 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(Cl)c1OCCOC 502619500 NHGNMRRAJOPXJP-UHFFFAOYSA-N 471.754 5.487 30 20 JKED O=C(Nc1ccccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502921462 ZFNHDZKJAKNFMP-UHFFFAOYSA-N 452.717 5.350 30 20 JKED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1 503679198 IQRCXMPFBWJBCS-GOSISDBHSA-N 489.409 5.142 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cnn(Cc3ccccc3)c2)cc1Cl 504434708 FEJCOTNTKLBRCK-XMMPIXPASA-N 455.949 5.562 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cccnc2OCC(F)(F)F)cc1 508273202 AIHCIXWRLRQJGG-UHFFFAOYSA-N 472.423 5.017 30 20 JKED CSCC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nnc2ccccn12 510007395 UXYQMOBZDOQQFG-UNMCSNQZSA-N 491.020 5.654 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)cn2)c1 511524959 YHFFVPWVGQHPPV-UHFFFAOYSA-N 493.523 5.328 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 512314983 QRCLEPOXFCFOJA-UHFFFAOYSA-N 451.913 6.383 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1 513938342 QXPJVXZGOPYCLF-UHFFFAOYSA-N 466.520 5.136 30 20 JKED CCOc1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OCC 513953034 IWRQHUNQAARRAV-UHFFFAOYSA-N 492.507 5.637 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc2ccccc12 517468003 FCDMDWMQZHGTJN-HNNXBMFYSA-N 471.504 5.680 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)cc1 517492060 KFCFAQZGJFBAFS-OAQYLSRUSA-N 473.381 5.270 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1)c1ccccc1 517533636 YJLQKCOEXKIKSS-DENIHFKCSA-N 464.635 5.387 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C3CCN(Cc4ccccc4)CC3)s2)c(C(F)(F)F)c1 517729059 SLGDPQPJXJXHKV-UHFFFAOYSA-N 484.547 5.475 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c1C 518239545 GRYLJBOPSCBURS-QGZVFWFLSA-N 476.602 5.241 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 519129007 KICDCYOAVUORRR-NBGIEHNGSA-N 473.598 5.015 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 520514686 VMYQRVPQLFJRKY-QHCPKHFHSA-N 460.965 5.708 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 521326375 PARNURCGEKKBKB-NVXWUHKLSA-N 476.429 5.879 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 524439536 ZLYNIVFDOXEKEJ-RUZDIDTESA-N 463.484 5.329 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)cc2)cc1 551114740 HFRLIMKOYAHHQX-QHCPKHFHSA-N 451.885 5.748 30 20 JKED Cc1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 588349034 PVEQKFKBESLCLF-KRWDZBQOSA-N 453.354 6.101 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(Cc1ccccc1)Cc1ccccc1F 589242088 PJFBZLJUHNWCJE-ROUUACIJSA-N 476.436 6.447 30 20 JKED N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c(C(F)(F)F)c1 602759533 MDFZEAIMJVULBK-JOCHJYFZSA-N 451.404 5.072 30 20 JKED CCc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cnn1-c1ccc(C)cc1 603507119 FDGDLAOWSRPCAH-UHFFFAOYSA-N 460.588 5.011 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1Cl 604164350 MGUYJOHTIUZAKU-DEOSSOPVSA-N 473.935 5.389 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)c1 604288815 UWWAJVPVVPWEFJ-HZPDHXFCSA-N 484.400 5.405 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 609062048 UIUUFKKIIZWVAU-UHFFFAOYSA-N 498.608 5.504 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1)c1ccc(C#N)cc1 609088121 NAIOPWFDPPGQQB-OAHLLOKOSA-N 488.906 5.507 30 20 JKED Cc1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n(-c2cccc(C(F)(F)F)c2)n1 609199495 LRULTYJHRLHXOH-UHFFFAOYSA-N 469.467 5.147 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 609370749 UGUZEBQMNWHCND-MRXNPFEDSA-N 474.611 5.827 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccc(F)cc2Cl)cc1 609405414 GWONRZPHGRVSNN-QHCPKHFHSA-N 463.940 5.433 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 609428373 DSDUTLWAKMQUGZ-SFHVURJKSA-N 469.566 5.172 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 609435360 JHIZNHVDIKSDLC-CQSZACIVSA-N 462.388 6.179 30 20 JKED CSc1nccn1-c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 613319333 CUHWDDHZNWNSDK-GOSISDBHSA-N 450.976 5.861 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nc2sccc2c1=O 614507365 HFJDLOAGFWQZGL-UHFFFAOYSA-N 468.629 5.386 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccccc1OC 617994605 PKYANUXJJSHKRS-IBGZPJMESA-N 450.608 5.058 30 20 JKED CCc1cccc(CC)c1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 619561967 QZZMRLJRPFNQDP-UHFFFAOYSA-N 468.582 5.113 30 20 JKED O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620347420 MIVFDFUODWHYDO-STQMWFEESA-N 488.354 5.163 30 20 JKED O=C(Cn1c(C(F)(F)F)nc2ccccc21)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642157957 MHSCOEZNBAWADG-NXEZZACHSA-N 461.328 5.081 30 20 JKED O=C(NCc1ccc(OC(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642343716 YRQNKFFWCPNAAU-GHMZBOCLSA-N 452.317 5.294 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c12 726319493 JCZWDRNGVXXDFM-NRFANRHFSA-N 464.456 5.452 30 20 JKED N#Cc1cnc2ccccc2c1OCCOC(=O)c1oc2ccccc2c1CSc1ncccn1 726364981 UZESVKGMKVXPNF-UHFFFAOYSA-N 482.521 5.171 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc3c(c2)CCCC3)cc1 726570762 KXNKMXWGLJDPJN-UHFFFAOYSA-O 461.010 6.010 30 20 JKED C=CCNC(=O)c1ccccc1NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 728075123 XQFJAMMSMHAEBR-KNTRCKAVSA-N 498.564 5.690 30 20 JKED COC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 728464741 QCATUAXWQPHMPT-UHFFFAOYSA-N 460.437 5.055 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)c(F)c1 729819286 XWRIVFXVMQGPGB-JOCHJYFZSA-N 494.498 5.136 30 20 JKED O=C1/C(=C\c2ccc(-n3cncn3)c(F)c2)CCc2nc(-c3ccccc3Br)sc21 730437017 UZMNMYFNOOWBHA-ZROIWOOFSA-N 481.350 5.505 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 730687017 LAYUENBRSAZKNW-RRFJBIMHSA-N 451.737 5.415 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@@H](c2ccccc2)C2CC2)cc1F 730717992 DSGMWHZDSKQGSW-QPPBQGQZSA-N 489.576 5.036 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N2Cc2cocn2)c1 730725380 SEMRWCQVNOPETN-HXUWFJFHSA-N 499.379 5.123 30 20 JKED COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c(F)c2)c(F)c1 731076263 AHCAWZFSXGHYCA-INIZCTEOSA-N 496.535 5.830 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCC(C)C)cc1Cl 731312557 PNDASBRBITWVLS-FQEVSTJZSA-N 475.998 5.061 30 20 JKED C=CCOc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 731360634 JWRFSIMKXIBBSM-FQEVSTJZSA-N 461.509 5.044 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)c1 743523765 CUXJJKHPIZAZMI-QGZVFWFLSA-N 487.906 5.619 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc3c(c2)COC3)[n+]2ccccc2CC)C=C1 746021320 VYAHREWDWRTWIN-UHFFFAOYSA-O 475.590 5.151 30 20 JKED O=C1/C(=C\c2ccc(O)c(Cl)c2)CN(Cc2ccccn2)C/C1=C/c1ccc(O)c(Cl)c1 747317615 ZZMHHUIDDDQUTE-JZAWIKSFSA-N 467.352 5.352 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cscn2)C1=O)Nc1ccc(F)c(Cl)c1 747599637 LAWWGIIFSPCTIY-SFHVURJKSA-N 492.960 5.235 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2CCc2nccs2)c1 747603877 VMQIZFORZRJJOO-QFIPXVFZSA-N 492.670 5.147 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(NC(=O)CCCCC)CC2)c1=S 748302077 YYRHAKMNPMBXKH-UHFFFAOYSA-N 462.063 5.039 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cs2)cc1 749316558 OFYYOUWFFNTAST-UHFFFAOYSA-N 473.554 5.505 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2oc3ccccc3c2COC(C)C)n(Cc2ccccc2)c1C 760951024 ODCPIGINODZNEW-UHFFFAOYSA-N 499.567 5.492 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC(F)(F)F)cc1 799215089 KMKONCVDFGQXOX-SFHVURJKSA-N 485.478 5.611 30 20 JKED O=C(CSc1nnc(-c2ccncc2)o1)N=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1 808630115 FCHOCAQYARDTAO-UHFFFAOYSA-N 495.486 5.236 30 20 JKED C=CCOc1c(Br)cc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1OC 813376504 NZHUZCUYGXWQMM-GOSISDBHSA-N 471.273 5.151 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)nnc1-c1ccncc1 824962799 BHVWGJWNSLQBHZ-UHFFFAOYSA-N 489.215 5.871 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1 838094389 PNMWTWVQTMMZQI-NRFANRHFSA-N 483.590 5.446 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 914501434 IVTGCBBJARCIAA-UHFFFAOYSA-N 496.032 5.083 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(Cl)cc2)c(C)s1 914694451 KHQLAIKAXLOQNX-BFUOFWGJSA-N 462.040 5.380 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 915087451 UMKAPHQOFNMMFI-FQEVSTJZSA-N 459.958 5.579 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)cc1 915087924 CGLLDMGPZFJVFF-OAQYLSRUSA-N 468.582 5.502 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1nc2cc(C(F)(F)F)ccc2s1 915104082 JTYNNOASTWOFPR-LBPRGKRZSA-N 492.529 5.504 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 915352231 GHUZSVGOXQJJER-AREMUKBSSA-N 492.545 6.101 30 20 JKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)ccc1OC(=O)c1ccccc1F 915848963 DXFGYQWIFRLAKY-HYARGMPZSA-N 476.529 5.562 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 916050611 DJFBPXDSLZGIIO-JOCHJYFZSA-N 454.480 5.547 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(C3CCCC3)C2=O)c1 916207542 GLLKUBWKRTYRPN-HSZRJFAPSA-N 481.618 5.224 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(CCc3ccccn3)C2=O)c1 916212562 YCKJONAJAUUREH-HSZRJFAPSA-N 493.032 5.555 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(CC)cc2)N(C[C@@H]2CCCO2)C1=O 916215519 XCZMHLODKLDPFD-URXFXBBRSA-N 495.645 5.177 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 916679631 VGSXSZALZCVUNS-AREMUKBSSA-N 470.548 5.041 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N3CCC([C@@H](O)c4ccccc4)CC3)c2)cc1 916686572 MUNQJISREUANLT-MHZLTWQESA-N 455.558 5.309 30 20 JKED Cc1cc(/C=C/C(=O)[C@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)n1C1CCCCC1 916880888 RBCQEMQMSJRYTH-TWLJRWAQSA-N 455.566 5.011 30 20 JKED Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)cc12 916885342 UILOGSKLDPFNNF-SFHVURJKSA-N 469.353 5.663 30 20 JKED N#C[C@@H](C(=O)CCCOc1cccc2ccccc12)C(=O)Nc1ccc(SC(F)F)cc1 916886416 HBQCREQYHPWQJV-FQEVSTJZSA-N 454.498 5.661 30 20 JKED Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1[C@@H](C)c1ccccc1 916907087 HLIVMPKQQICVQI-LVXARBLLSA-N 477.564 6.468 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916916452 ZLKPILLRNOYMHL-NRFANRHFSA-N 468.513 5.649 30 20 JKED CCOc1c(Br)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 916926953 ADGXCIOTTVKMEL-LBPRGKRZSA-N 486.149 5.124 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1Cl 916940424 MHUILIIAOKRJEU-INIZCTEOSA-N 493.894 5.381 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)cc1 916951227 WWXCTHREHRBEGX-XMMPIXPASA-N 467.525 5.132 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 916973958 AXFXJOUMZFJKIL-AZUAARDMSA-N 483.515 5.362 30 20 JKED CCCn1c(=O)n(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 916977232 NLMOUJSHCNYBDU-SFHVURJKSA-N 464.978 5.256 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996520 JOOBRBUNJYOGLN-FXAWDEMLSA-N 498.435 5.774 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cs1 917560605 SQLKCKYIQYFZRM-JLHYYAGUSA-N 466.538 5.393 30 20 JKED N#Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)ccc2OC(F)F)SC1=S 917644939 ORLSKKAPWVVKGF-NVNXTCNLSA-N 467.316 5.328 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2[N+](=O)[O-])c1 917670027 YOVFGHKMXXWBMP-QFIPXVFZSA-N 474.542 5.064 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917704732 XXYBXBPDKGASQT-RUZDIDTESA-N 498.608 5.255 30 20 JKED CC(C)(C)c1ccc(OCc2nnc(S)n2N=Cc2csc(COc3ccccc3)n2)cc1 918710454 PMZWNIVZDLRGKG-UHFFFAOYSA-N 479.631 5.361 30 20 JKED CC(=O)N(c1nc(/C=C2/COc3c(Br)cccc3C2=O)cs1)c1ccc(F)cc1F 920066842 MKFASYUQTADBOI-GHXNOFRVSA-N 491.313 5.527 30 20 JKED C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1 920108671 XSQRDKFBALMMBX-PXAZEXFGSA-N 456.436 5.861 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)Oc3ccc(C)cc3Br)n2)cc1 920138836 KTDUJCFVSPDBNU-YOEHRIQHSA-N 471.376 5.533 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 920169247 RLSOQBYNXQCEIA-IZZNHLLZSA-N 494.620 5.192 30 20 JKED Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)cc2)c1 920265486 PBZIFZCRALHZKG-NRFANRHFSA-N 489.578 5.080 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](Oc2ccccc2Br)c2ccccc2)n1 920327596 XBPUDKVNWFCFSO-FOIQADDNSA-N 485.359 5.079 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(C[C@H]2CCCO[C@H]2c2ccccc2)C1=O 920360369 XNBLFQCDUPFYCN-VTZPFEBOSA-N 479.646 5.046 30 20 JKED Cc1nc(-c2ccc(Cl)s2)sc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 921103318 LRANEXKNCRHNTF-JTQLQIEISA-N 478.020 5.439 30 20 JKED CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 921240049 RJCZLILVOZIFRO-UHFFFAOYSA-N 477.586 5.369 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 928966359 ARRKSLSYBCOXHQ-UNMCSNQZSA-N 490.629 5.165 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3c2oc2ccccc23)C1 1781445045 UPGAYXIHKQCGQB-OGSSDNIRSA-N 486.612 5.482 30 20 JKED C=CCCC(C)(C)C(=O)Nc1ccc(C2(NC(=O)CCN3Cc4ccccc4C3=O)CCC2)cc1 1785842408 ZFPTWJVEUXBAKN-UHFFFAOYSA-N 473.617 5.159 30 20 JKED COc1cccc2[nH]cc(C(=O)NC3(c4ccc(NC(=O)CCc5cccc(C#N)c5)cc4)CCC3)c12 1786041240 DVVZIHSUYCDOSI-UHFFFAOYSA-N 492.579 5.429 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1ccc(C2(NC(=O)CSc3ccncc3)CCC2)cc1 1786041375 VNPVBUNXXWMISH-UHFFFAOYSA-N 476.001 5.013 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1 1787275861 MDHJMRBTMDABEE-NRFANRHFSA-N 495.645 5.193 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3cccc(C)c3)cc2)CCC1 1788359426 QBISKKCUBFTMQS-NRFANRHFSA-N 469.585 5.396 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(F)c3)cc2)CCC1 1788374269 RMNZLGVUSUKLQD-UZWMFBFFSA-N 499.590 5.107 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(cnn4C)c3OCC)cc2)CCC1 1788391489 JKWYTJMQQSDAGX-UHFFFAOYSA-N 489.620 5.107 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnn4c(C)cc(C)nc34)cc2)CCC1 1788975819 LFFAZIHNLMRQCN-UHFFFAOYSA-N 459.594 5.086 30 20 JKED CN(C)c1ccc(C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)c2ccccc12 1788990701 VXZBIQHQHVOSDL-UHFFFAOYSA-N 454.574 5.203 30 20 JKED Cc1nc[nH]c1CSCC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1789465510 LGUGTWWFEZCKCT-UHFFFAOYSA-N 496.753 5.137 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4ncoc4c3)CCC2)cc1 1789508122 NXNVUZKWVWMCIT-UHFFFAOYSA-N 473.649 5.627 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)cc2)CCC1 1790405744 IMTKTHCACRYKTH-LJQANCHMSA-N 471.642 5.368 30 20 JKED COc1cc(C)c(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)cc1OCc1ccccc1 1790772548 QRYONSTXMRFQQA-UHFFFAOYSA-N 497.595 5.634 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4cscn4)CCC3)cc2)cc(C(F)(F)F)c1 1790785168 RETPGXONNMSNCM-UHFFFAOYSA-N 484.503 5.024 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccccn4)CCC3)cc2)c1 1792122481 BALKZXUDYWUMBP-FQEVSTJZSA-N 452.558 5.089 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](F)c4cccc(F)c4)c2)C3)c1 1799603371 HXFVBJGJNRUJNV-HVWQDESWSA-N 485.534 5.322 30 20 JKED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)C1 1800278315 KGICMNYBSJAARS-NDBXHCKUSA-N 450.529 5.103 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(F)cc(C(F)(F)F)c2)c1 1800399871 PESVBMYZZXFPKE-XKRTTZHXSA-N 473.470 5.037 30 20 JKED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(Cl)cc4)CCC2)C3)c(Cl)c1 1800691011 GKQHXSBPBGVZKN-WKCHPHFGSA-N 482.411 5.239 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1801640375 GYNLOFOQQQIICW-RBZNUJCTSA-N 452.545 5.349 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1802503667 QRGIAFAPZWFIDR-CPJSRVTESA-N 493.051 5.837 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1806542240 KSEFUQCZLNYXKU-XUZZJYLKSA-N 487.566 5.341 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1808594181 GMBAINQNKYXNEW-LBNVMWSVSA-N 480.612 5.232 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1809201007 PXBQDMBKEDFAIK-NFBKMPQASA-N 479.621 5.747 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1809396830 QNITURYJBUMEQM-HYBUGGRVSA-N 479.024 5.528 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2-c2cccc(C)c2)[C@H]1c1cccnc1 1810494325 HFTILRYFMIULHS-LSYYVWMOSA-N 496.655 5.764 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]2c2cccnc2)c1 1812807823 CRJBWQVISSSUMF-IGKIAQTJSA-N 474.649 5.578 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3F)n[nH]2)c(Cl)c1 1814582221 WFDPQJJWRRUYEV-HXUWFJFHSA-N 486.334 5.347 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1815216255 RDHWUIRLWZTXGO-CJFMBICVSA-N 497.599 5.226 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(OC)c2)n[nH]1 1817740728 XVRGPOINSRIJCS-RUZDIDTESA-N 499.615 5.555 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3cc(OC)ccc3n2)[nH]n1 1819305435 JBEKXSVMRKYRDK-RDPSFJRHSA-N 473.577 5.041 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)[nH]n1 1819383961 ARCDAGAWPHHYAT-SFHVURJKSA-N 470.612 5.186 30 20 JKED Cn1ccc2cccc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]3)c21 1819384852 BJWCFMWQPPQJIZ-HSZRJFAPSA-N 489.696 5.258 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)nc2Cl)n[nH]1 1819676716 MDADLLBKTNRNFF-QGZVFWFLSA-N 462.381 5.186 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)[nH]n2)c1 1820487307 UCDFDXRFENMCIE-FQEVSTJZSA-N 485.441 5.059 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccc(Oc2ccccc2)cc1 1821049141 YGAFLAGKDRXXNP-VKMIRQPFSA-N 497.555 5.220 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3CSc3ccccc3)n[nH]2)CC1 1821263579 VKXVEKMSCVKVCS-HSZRJFAPSA-N 485.613 5.312 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(F)ccc2Br)[nH]n1 1821917904 BGDOMNBPZPKFFS-MGPUTAFESA-N 491.405 5.148 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1)c1ccc(O)cc1 1822466754 MMFKZXWSYKCAKI-KHSUQFHWSA-N 488.632 5.131 30 20 JKED C[C@H](c1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)cc1)C(F)(F)F 1823380440 AWAGMKXAGVRNDU-OXQOHEQNSA-N 487.526 5.004 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1)c1ccc(O)cc1 1823588706 DZQMBLOEHOWXOS-SWGGMNADSA-N 496.558 5.050 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1823980132 LLPZGPQKLZUMFF-AREMUKBSSA-N 479.571 5.011 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)CC1)C(F)(F)F 1824000724 XMVVJPDVAOCKMK-JOCHJYFZSA-N 462.556 5.237 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(OC)cc2F)CC1 1824145127 TUDKCSHEQOZUGH-FIUWIIBXSA-N 468.613 5.236 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccco2)CC1)c1ccccc1 1825247861 PWZNCYIYDINPNM-SXOMAYOGSA-N 460.618 5.029 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCC3CCCC3)CC2)cc(C(F)(F)F)c1 1826269484 LBVVOUCFZGMJNH-XMMPIXPASA-N 489.582 5.781 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3cccs3)CC2)c1Cl 1827078648 WUSODMUYGOTOFT-DGSRBQDKSA-N 468.022 5.220 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccnc2C(C)(C)C)CC3)c1 1827693473 QLWWVSSFPVVKRZ-QFBILLFUSA-N 487.629 5.002 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccnc3s2)CC1 1828134022 SGKOVYLJGQOXDT-YADHBBJMSA-N 451.636 5.298 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)ccc2n1 1828235719 QVDRZQARBFDVGW-NDEPHWFRSA-N 480.612 5.156 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)CC2)c(Cl)c1 1828711171 KGLPQWWNJYLBJD-JOCHJYFZSA-N 481.021 5.302 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(Br)c3C)CC2)C1 1829696636 TXGLUDDWPNNZMG-QFIPXVFZSA-N 477.418 5.096 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829952331 KDHKAQKDKXRTKM-NDEPHWFRSA-N 492.623 5.476 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)cc2C)CC1 1830502065 IQPMLAZGEJPONR-HSZRJFAPSA-N 473.455 5.184 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3cccc4ccccc34)CC2)c1 1830765525 PTXSCGRMWJCZQI-NDEPHWFRSA-N 495.623 5.332 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)c(F)cc4[nH]3)CC2)c1 1830769235 KXUZHQLKHSPKIB-SANMLTNESA-N 490.554 5.173 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806847 OUBZWBURYYORLD-OSPHWJPCSA-N 472.601 5.183 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1831226489 XNADQKCFLJMDTE-AOYPEHQESA-N 490.047 5.369 30 20 JKED CCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1831389923 GHCCBRSLJDELET-QHCPKHFHSA-N 453.627 5.015 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1831445743 SZWHFLPLLURXHZ-OAQYLSRUSA-N 497.508 5.631 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3sccc3s2)CC1)C(F)(F)F 1831452366 CEAAHJNCQNNYOB-OAHLLOKOSA-N 456.555 5.315 30 20 JKED COc1cccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1C 1831712884 GJKHABXNGHKKQS-RUZDIDTESA-N 494.035 5.005 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccccc3c(Cl)c2OC)CC1 1831851673 REICECSAMGZPKF-DEOSSOPVSA-N 481.036 5.539 30 20 JKED CC1(C)CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1 1831931204 QSCMVSLCIPPWMF-JOCHJYFZSA-N 475.555 5.247 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832031277 HIZPDIMEPZBDND-FKBYEOEOSA-N 454.577 5.168 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)c1 1832629193 LMZSCVWERKHUEQ-KDYSTLNUSA-N 487.619 5.418 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)c1 1832635488 HSWWRRFXUHROJN-AVRWGWEMSA-N 481.999 5.653 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699265 WEMLVQQSAKXFSM-NDEPHWFRSA-N 474.645 5.570 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832727668 RYNIFXIZXMRIAY-IBVKSMDESA-N 461.581 5.308 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)CC1 1838374809 IOCSSZWPPUMCLE-HHHXNRCGSA-N 466.666 5.120 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C2 1841059474 ROKZWENOIHZGIJ-QFIPXVFZSA-N 489.701 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cccnc2SCc2ccccc2)C1 1844586363 NWULNURJRGDJIZ-UHFFFAOYSA-N 463.647 5.183 30 20 JKED O=C(C1CCC(C(F)(F)F)CC1)N1CC2(CCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1846885144 HGWSNKZXPZSTMF-UHFFFAOYSA-N 480.424 5.030 30 20 JKED CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 15231706 TUHHBBRWJSBEDP-INIZCTEOSA-N 450.391 5.366 30 20 JKED C=CCOc1ccccc1CN(C(=O)CSc1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCO2 15445307 JXFFNWCHMLCBMU-UHFFFAOYSA-N 490.581 5.264 30 20 JKED C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18616403 ANVDGNXSAMWRES-AWEZNQCLSA-N 464.616 5.053 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2c(C)cccc2C)cc1 22693805 WUOIDQLQQMXWNE-UHFFFAOYSA-O 468.440 5.967 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(Cl)c(Cl)c2)cc1 22695176 SRWKPKVTTPJVHG-UHFFFAOYSA-O 481.375 5.676 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(Cc3ccccc3)cc2)s1 22695911 UUWIEVZSCVLPES-UHFFFAOYSA-O 457.644 6.294 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 23604402 DXMWMYQSMHOTSA-UHFFFAOYSA-O 476.544 5.821 30 20 JKED Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1Cc1ccccc1 23607999 NJCFWORRCCUDAX-INIZCTEOSA-N 489.626 5.436 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccc(OC)cc1 23998161 FPQLZWUVXUMWAP-FQEVSTJZSA-N 484.625 5.850 30 20 JKED Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1-c1ccccc1 24014359 KYMNKICPDCZPNV-HNNXBMFYSA-N 475.599 5.377 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2sc(C)c(C)c2c1=O 28380998 DSXJJRFHXXSEBV-UHFFFAOYSA-N 488.849 5.952 30 20 JKED COc1cccc(-c2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)n2Cc2ccco2)c1 45698224 JUGUSSYCALVKGC-UHFFFAOYSA-N 493.976 5.241 30 20 JKED C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3Sc3ccccc3C#N)cc2F)C[C@@H](C)O1 108288884 OWWRTYYZQWBAAE-KDURUIRLSA-N 475.589 5.392 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 109908695 NQHRSNTYIUCRLR-UHFFFAOYSA-N 476.321 5.233 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cc1OCC 195664218 OBJOPIWVRIZMAU-CQSZACIVSA-N 493.810 5.929 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 195703306 VEAOWXYVJGGNPV-GOSISDBHSA-N 457.530 5.163 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 302954736 OWINCJLWEPKNFR-UHFFFAOYSA-N 450.464 5.038 30 20 JKED COc1ccc(C2(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CCCC2)cc1 478686509 HCGGTENKZIRSJU-UHFFFAOYSA-N 450.589 5.161 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 480805721 LIHXXNZJJKLXHA-DFBJGRDBSA-N 456.546 5.483 30 20 JKED Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)C2)cc1 486205425 GSJOOVYTDLHWJL-JOCHJYFZSA-N 468.557 5.333 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 498382197 BVFPBAJFSRVTAV-UHFFFAOYSA-N 471.388 5.043 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)o1 498872589 KCNCIPQCLQFYER-UHFFFAOYSA-N 497.938 5.725 30 20 JKED Cc1c(-n2c(SCCCCC#N)nnc2-c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 499599047 HGHPSPSKLBRLHS-UHFFFAOYSA-N 479.009 5.172 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1Cl 501783954 GVCNMSCXMYFSKZ-NOZRDPDXSA-N 472.976 5.481 30 20 JKED C=CCN(C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12)c1nc(C(=O)OCC)cs1 501942241 KNJHQFUHBWNIIG-UHFFFAOYSA-N 468.579 5.155 30 20 JKED Cc1ccc2nc(-c3ccc(NC(=O)Cn4cc(C#N)c(=O)c5cc(Cl)ccc54)cc3)sc2c1 502820154 SYQSMDRHXFDBNF-UHFFFAOYSA-N 484.968 5.750 30 20 JKED Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)cc1 503002235 XJXTZEHRWORUNH-OAQYLSRUSA-N 470.573 5.225 30 20 JKED Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N(C)[C@H](C)CC#N)n1C1CCCCC1 505123677 GZMCGDUOTPRZBZ-QGZVFWFLSA-N 476.046 5.177 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 505626358 RDPCWKFRNGKXOU-UHFFFAOYSA-N 480.524 5.048 30 20 JKED CCOc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)ccc1OC(F)F 508247859 DDABGUJZSKYWQH-UHFFFAOYSA-N 483.471 5.681 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccccc4C#N)CC3)cc2Cl)cc1 508292595 ODOYBEAJOCLVKG-UHFFFAOYSA-N 457.921 5.230 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)c2)c1 508565546 DWBODXCQRXXTHO-UHFFFAOYSA-N 481.409 5.128 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(C)CCC(F)(F)F)c1 508791938 PDXTTZYIAOESMG-UHFFFAOYSA-N 494.457 5.111 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1 511749133 ZYSVHTTVOKVNRK-UHFFFAOYSA-N 466.006 5.383 30 20 JKED Cc1cc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)c3cnn(C(C)C)c3n2)c(C)s1 512570078 YIDKYVZSZGVIDN-UHFFFAOYSA-N 473.602 6.269 30 20 JKED CC(C)c1noc(-c2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)n1 514874694 GWWOARQABLNQFI-UHFFFAOYSA-N 497.502 6.050 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNc2cc(C)c(C#N)c3nc4ccccc4n23)cn1 515502720 LFIRWPUYHWEBDI-UHFFFAOYSA-N 465.513 5.484 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)s2)cc1 516469513 AVYXLBYBQQLUCC-UHFFFAOYSA-N 464.978 5.386 30 20 JKED CC[C@H](C)c1ccc([C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2cccs2)cc1 517524042 ISMQSASHJCUTQY-UQBPGWFLSA-N 459.619 5.149 30 20 JKED C=CCN(C(=O)Nc1ccc(Sc2nc(C)cs2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 517530056 XOOIQWXFRAIPCB-KRWDZBQOSA-N 477.619 5.360 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 518758601 BVEDUTXGYNBTRI-LBPRGKRZSA-N 452.893 5.341 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)o2)cc1 519993837 TZGTXSWKYOQCQZ-UHFFFAOYSA-N 458.499 5.140 30 20 JKED C=CCCO[C@H](C)C(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 519999578 DTDWPZVDKKANGE-GDBMZVCRSA-N 455.407 5.610 30 20 JKED COc1ccc(CN[C@H](c2ccccc2)c2ccc(Br)cc2)cc1OCCCC#N 520212233 VCJCGMCNKUTZAK-RUZDIDTESA-N 465.391 6.019 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)ccc3N3CCOCC3)cc2Cl)cc1 520751772 PPSYVSPQBWOOND-UHFFFAOYSA-N 451.885 5.232 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccncc4)c3)cc2Cl)cc1 521186878 HQVLVTWVTNEHIB-UHFFFAOYSA-N 497.942 5.973 30 20 JKED CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2occc2COc2cccc(C#N)c2)cc1 523289195 DDCPRSNUFUQDCZ-UHFFFAOYSA-N 465.553 5.389 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 523938557 SKIALRWHPYPSPO-JOCHJYFZSA-N 450.995 5.775 30 20 JKED CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524432249 WWNVEKLWVJVLRE-DEOSSOPVSA-N 475.976 5.729 30 20 JKED CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 524473711 ARGBNWPBISVZDQ-QHCPKHFHSA-N 460.965 5.455 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc(O)c2c(-c3ccc(C)cc3)c(C)sc2n1 561575919 GHBIJCXVZQGZBC-UHFFFAOYSA-N 460.559 5.777 30 20 JKED Cc1c(Br)cccc1NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 579134869 FQGRXQIOWSLTQJ-UHFFFAOYSA-N 480.387 5.612 30 20 JKED C=CCn1c(SC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 588697260 XVEXDJIYZXHXNF-RDTXWAMCSA-N 465.402 5.120 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)c(F)c(F)c3F)s2)c(C(F)(F)F)c1 603757652 SANYIVUXODKCHL-UHFFFAOYSA-N 459.346 5.433 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl 603766228 NZTDWVHLARGUCS-DEOSSOPVSA-N 479.001 5.287 30 20 JKED CC(C)N(CCC#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 603900660 OROMNRQPCOTTIC-UHFFFAOYSA-N 488.444 5.543 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 604003448 BMCZALWJQXPING-UHFFFAOYSA-N 489.579 5.716 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccc(Cl)cc3)c3cccs3)cn2)cc1 604143393 VVKSPYHEUGBXEG-HSZRJFAPSA-N 488.956 5.305 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1 604441724 UXQVQAUQLZVHHF-UHFFFAOYSA-N 461.550 5.813 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c3ccccc3)cc2)cc1 604464202 JNYGAUKTTMPCKU-OAQYLSRUSA-N 453.420 5.099 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)cn2)cc1 604533148 IBZGRKVSDIZZKV-OAQYLSRUSA-N 479.334 5.113 30 20 JKED COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2ccccc2)cc1 608903120 APUPXCMTOAILMV-AREMUKBSSA-N 492.535 5.172 30 20 JKED COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c2ccccc2)cc1 609073769 ZHNBLFALXYPLOA-MUUNZHRXSA-N 491.547 5.256 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 609078178 FQEKAAYXBLCKAY-KRWDZBQOSA-N 475.499 6.073 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 609079299 VCPLIQKGPLLAAW-UHFFFAOYSA-N 470.960 6.171 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 609081255 XECXELKZJXPEIF-HXUWFJFHSA-N 497.555 5.609 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccccn3)cc2Cl)c1 609084369 VRQGYBDUWPRUAW-AREMUKBSSA-N 496.954 5.030 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1ccc(C(C)C)cc1 609086544 JWYLOPAERBVTIF-UHFFFAOYSA-N 455.558 5.166 30 20 JKED C[C@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609088388 UYOOUUMTBAOLIR-OAHLLOKOSA-N 483.902 5.227 30 20 JKED N#Cc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 609093048 PADYZWCQHHMBTN-UHFFFAOYSA-N 457.331 5.355 30 20 JKED CC(C)n1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2cc(Cl)ccc2c1=O 609370924 JPIGKBMXVKACTI-HNNXBMFYSA-N 487.050 5.756 30 20 JKED CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609401511 BFXLPICGRIYRTN-UHFFFAOYSA-N 471.504 5.461 30 20 JKED CC1(C)CC[C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2ccccc21 609403912 KCHWEIXNDRCPNX-SFHVURJKSA-N 475.536 5.579 30 20 JKED COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccccc2)cc1 609435687 GDTWHZYTKIHTRK-MHZLTWQESA-N 477.520 5.203 30 20 JKED N#C[C@@H](C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 613289734 DGLQMHPMNOOHPG-FQEVSTJZSA-N 491.576 5.618 30 20 JKED C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618450654 MCCOTWFIIYNIDA-UTLUCORTSA-N 470.763 5.749 30 20 JKED O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 622478201 XRCLAZVLWMHCFU-YOEHRIQHSA-N 463.397 5.266 30 20 JKED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 642281844 UBALUGYUBOHIRN-INIZCTEOSA-N 454.342 5.247 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 684255206 OIDJRAIOTVVPLP-IAGOWNOFSA-N 496.508 5.157 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN2CCO[C@H](c3ccccc3Br)C2)c1=S 725779885 QVMVBJJTMBIHLN-FQEVSTJZSA-N 489.414 5.200 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CC[C@@H](C)OC)cc1 726394252 UEGUVOWIAWWYHM-IERDGZPVSA-N 490.025 5.042 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1 726427628 RCIFHWNKXCTFHI-WLRTZDKTSA-N 471.962 5.195 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(Cl)ccc2Cl)cc1 726572334 YXYJGXMQMWSULK-UHFFFAOYSA-O 489.835 6.692 30 20 JKED N#CCOc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)cc1 727674778 FQCBTWYASSQMFY-UHFFFAOYSA-N 462.958 6.211 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C\c1cccc(OC2CCCC2)c1 727953856 PVZKFZCMTPRMBY-PISNEZEASA-N 452.938 5.339 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2CCCCC#N)c1 728778618 TWBFTBRDHXCEHM-HXUWFJFHSA-N 499.434 5.412 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2scnc2C)cc1 729144597 DXACEIJPYAWPMO-FQEVSTJZSA-N 499.061 5.882 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(Cc3scnc3C)C2=O)c1 729144758 FEQYWJHSNJQPOM-FQEVSTJZSA-N 498.605 5.068 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)cc1C 729631086 IYDIEUYKWCWUFU-QHCPKHFHSA-N 458.587 5.167 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)cc1 729631879 MFKBFWDEJJYZEW-WNBREWMXSA-N 478.643 5.350 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ncccc2C)C1=O 729634140 IQDACIMOEFRHGJ-QFIPXVFZSA-N 495.004 5.213 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 729890304 YDSCOZSFPLMYSD-VIFPVBQESA-N 458.153 6.476 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccccn2)c1 730527515 GBSPNOCDHPNXDM-XMMPIXPASA-N 486.597 5.007 30 20 JKED Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2ccc(-c3nc4ccccc4s3)o2)c1 730564831 GWYSNCLVXBDYRA-UHFFFAOYSA-N 461.572 5.515 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 730687280 MVHKKJYENNJQCK-GFCCVEGCSA-N 452.750 5.537 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2[C@@H](C)c2cccnc2)cc1 730944634 YVHBLEDKKJVGAK-MHECFPHRSA-N 488.613 5.374 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730945126 NNGDCAVLWYHFDX-OYHNWAKOSA-N 498.530 5.529 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 731060000 BUDYZUPPURZFQU-QGZVFWFLSA-N 471.538 5.542 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 731114476 SNXMVRDGAFIIOR-HNNXBMFYSA-N 493.511 5.219 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H]2CCc3ccc(F)cc32)c1 731312969 UTVFZDFLFXRVQU-JWQCQUIFSA-N 499.567 5.160 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)c1 743525675 RQXCCHXOUZGBCX-HXUWFJFHSA-N 493.526 6.056 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccoc2C)n(Cc2ccccc2)c1=S 745155582 YDCQROKXVDILSY-UHFFFAOYSA-N 475.574 5.585 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cc(C)ccc1F 746694076 NWWPRLWCLANETB-NRFANRHFSA-N 493.551 5.189 30 20 JKED CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 747004287 UKMCLPZQLAMGQY-IBGZPJMESA-N 452.341 5.246 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cscn2)c1 747603703 UEAQLMXPOAEVCP-IBGZPJMESA-N 488.997 5.405 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)n2)ccc1Cl 749362582 NRZOTNTYMRZCFH-UHFFFAOYSA-N 495.910 5.387 30 20 JKED N#CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2)c1ccccc1 755775781 ITGNTKJBECBPKD-UZYVYHOESA-N 489.531 5.141 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CC(F)(F)F)C2=O)cc1Cl 799212720 XOYPGYYJJFOCSZ-KRWDZBQOSA-N 485.915 5.180 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 837302253 XAXXUUILDFWUIO-SPLOXXLWSA-N 484.503 5.220 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2OCCC)c1 863458981 KGABAAYWYNQACZ-UHFFFAOYSA-N 485.005 5.762 30 20 JKED CCC(CC)c1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)NC(C)C)cc1 912836235 BCBVQMULWWTQDQ-UHFFFAOYSA-O 468.687 5.883 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)NCc2cccs2)[n+]2ccc(C(C)(C)C)cc2)C=C1 912837768 UZWWCQJPBSJUSG-UHFFFAOYSA-O 466.652 5.104 30 20 JKED N#C[C@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2cc(C(F)(F)F)ccc2s1 915104114 KWSYLKHBQGSKCA-PIGZYNQJSA-N 481.908 5.648 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CC2CCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 915116587 KPFRSIHGLWYHPP-LJQANCHMSA-N 472.954 5.009 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3C)N(Cc3ccco3)C2=O)cc1 916207846 NAQRUYVEXWPKLY-HSZRJFAPSA-N 475.570 5.260 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916217089 DVHAOGMJVVLNOD-LJQANCHMSA-N 496.416 5.381 30 20 JKED O=C(Nc1cccc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)c1)c1ccccc1Cl 916306345 SMBFDBFLXQXHCL-UHFFFAOYSA-N 453.885 5.376 30 20 JKED Cc1ccc(C)c(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916888337 VZOJETRKWMTFCO-GOSISDBHSA-N 486.569 5.244 30 20 JKED N#C[C@H](C(=O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1 916909794 QZUYVNUWZREIMG-QGZVFWFLSA-N 454.404 5.224 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 916913332 OAVHDUQMTUXNPJ-LJQANCHMSA-N 457.477 5.281 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 916944996 PTEFBIFGIBTHPY-AWEZNQCLSA-N 462.314 5.170 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1 916956287 ZLRNBFSLDYOTLL-YCRPNKLZSA-N 465.550 5.644 30 20 JKED N#C[C@H](C(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995244 CVJJPIGJTQXSPK-OAHLLOKOSA-N 464.355 5.994 30 20 JKED Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc3ccccc3c2)c1 917611436 ZJSPPRWUEMCOCO-UHFFFAOYSA-O 482.629 6.165 30 20 JKED CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccccc3C#N)C2=O)cc1OC 917645216 VALZTKJQMDHXIB-YVLHZVERSA-N 475.389 5.134 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC)cc2)c1 917685227 WRXQMBRJMCPHHJ-DEOSSOPVSA-N 489.597 5.002 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 917701026 QEVSTTPQOBIDAG-DFBJGRDBSA-N 480.593 5.956 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N(C)CC2CC2)ccc1Cl 917706622 BZSCTICWKIJCSL-UHFFFAOYSA-N 486.943 5.222 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCc3cc(F)ccc32)C1=O 920170007 IPLJKQBQESPKIZ-UPVQGACJSA-N 489.572 5.482 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 920871251 WFWHKIZBPGKDFY-YWZLYKJASA-N 493.551 5.257 30 20 JKED N#CCCn1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 920907465 DXTCCRLDNGBAJO-SANMLTNESA-N 480.480 5.153 30 20 JKED O=S(=O)(Nc1ccccc1Cl)c1cc(N=Cc2cccc(O)c2O)ccc1N1CCCCC1 920944793 KQKNIDBBRPRTRW-UHFFFAOYSA-N 485.993 5.293 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ncc(Cl)cc4Cl)CCC3)cc2)cc1 1785879742 KSCWHBCKKHPHGE-UHFFFAOYSA-N 479.367 5.250 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)CCC2)cc1 1786368120 BWSOSBGAKDEPJK-UHFFFAOYSA-N 491.632 5.402 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](N)c4cccc(Cl)c4)cc3)CCC2)c1 1788051619 DBHLAGBFFGCUPJ-BVZFJXPGSA-N 487.003 5.415 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccc5nc(C(F)(F)F)[nH]c45)cc3)CCC2)CCC1 1789056766 WYTQBXQYLUVHIV-UHFFFAOYSA-N 481.478 5.023 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5cnccc45)cc3)CCC2)c1 1789327985 VUHDLTXPFHYQRX-FQEVSTJZSA-N 474.564 5.923 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccncc3F)CCC2)cc1 1789508016 ATNBTWMVUUFERG-UHFFFAOYSA-N 451.618 5.020 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cc4occc4n3-c3ccccc3)cc2)CCC1 1789994347 WOAZPVHORVCBBE-UHFFFAOYSA-N 497.595 5.954 30 20 JKED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccccc4Oc4cccc5ccccc45)[C@H]3C2)C1 1790298286 QDHISGLVBIICPC-ONALNCHISA-N 496.607 5.192 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3)CCC2)cc1 1790565994 KKUOWHZHWVUAHZ-INIZCTEOSA-N 461.484 5.254 30 20 JKED COC(=O)Nc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)c1 1790588284 UNBPJWHHAYACMH-IBGZPJMESA-N 496.567 5.553 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CSc4ccccc4)CCC3)cc2)cc1 1790706229 QBYWBKCPRVANDS-UHFFFAOYSA-N 455.583 5.293 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccccc4F)CCC3)cc2)cc1 1790708666 MFAZAPVLMLODAO-UHFFFAOYSA-N 455.533 5.272 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cnccc4C(F)(F)F)CCC3)cc2)c1 1790796903 WGIMRXGIQXILPL-UHFFFAOYSA-N 478.474 5.342 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790978745 JTPUKKMSKSOMNZ-QHCPKHFHSA-N 477.992 5.209 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CC[C@@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1791250192 KJNPBQKHECZJGB-REWPJTCUSA-N 483.653 5.512 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)CCC2)cc1)C(F)(F)F 1791304968 XGDJSPZFAOENDY-NYYWCZLTSA-N 483.490 5.442 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(Br)cnc4s3)CCC2)cc1 1791579318 WAGMRWNIUQZVKR-LBPRGKRZSA-N 490.448 5.125 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Br)ccc3OC)CCC2)cc1 1791584731 WYEWZHCDDHUWPI-UHFFFAOYSA-N 469.379 5.009 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(C#N)cc1 1792482597 QUJPQKNVRHDZPL-LGKQTMLJSA-N 495.623 5.140 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C13CCC(NC(=O)OC(C)(C)C)(CC1)CC3)C2 1793053036 NRWBBNZLSIOQNH-ZDJFJGILSA-N 499.696 5.011 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 1797269554 LSCYDRAKNYGNJQ-JTOYRKQZSA-N 480.008 5.548 30 20 JKED CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2Cl)s1 1799302798 PDIXGTDFORTTFM-BJWYYQGGSA-N 456.011 5.136 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(C)(C)CC1 1800234313 CUPOLOOGDPNOJE-KAOXLYBCSA-N 489.701 5.091 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccnc1 1802500528 ABJURYOROCZQJC-WMZHIEFXSA-N 470.013 5.056 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)[C@H]1c1cccnc1 1802500725 ODUSQHXXNLFKMG-CPJSRVTESA-N 492.570 5.220 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2c(F)cccc2Cl)[C@H]1c1cccnc1 1802851422 IDRRIQYGZMPSSW-NTKDMRAZSA-N 472.004 5.115 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)[C@H]1c1cccnc1 1803088293 JQYQMMBZAHKNSS-GCZGMXNJSA-N 463.666 5.462 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2cccc([C@@H](F)c3cccc(F)c3)c2)[C@@H]1c1cccnc1 1803455891 KAMNFLHIMPIIJE-RFYMFKDESA-N 499.561 5.013 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1806684484 LZXHUBUULBFFAZ-PLXFJCCSSA-N 466.025 5.142 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@H]1c1cccnc1 1810070297 KSDUUDYIROTBKD-YADARESESA-N 479.024 5.528 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@]2(F)CCCC=C2F)[C@H]1c1cccnc1)c1ccccc1 1810446665 FXBMXBKWKSUODX-SUDJESIBSA-N 491.582 5.030 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1810505421 UGNHDAUHGHXWGG-IFMALSPDSA-N 473.539 5.412 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811719037 QNTYZZSVVAFATJ-NYMACZPPSA-N 489.641 5.148 30 20 JKED C[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CC1 1811872795 GXCYSPQXGZQFNZ-ISYUWZRGSA-N 498.549 5.118 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1813224027 PPCHLSAJVQDEEG-RXFWQSSRSA-N 477.008 5.038 30 20 JKED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1 1814299459 CUUNEYGMGXVLIN-SUYBVONHSA-N 499.655 5.165 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1814302508 CSCOXDNQGZXWFT-KCWPFWIISA-N 491.582 5.393 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3ccccc3Cl)[nH]n2)cc1 1814378268 KLPOVANTTSJENP-XMMPIXPASA-N 490.007 5.192 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(Br)c4ccccc4c3)[nH]n2)C1 1814394255 LLGZVTVNRJZERP-JOCHJYFZSA-N 493.405 5.598 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ncccc2SCC)[nH]n1 1814442108 YDVGNCSWWWKDRA-GOSISDBHSA-N 455.628 5.215 30 20 JKED Cc1ccc(F)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814578397 DYYKGYWIECQALE-GAJHUEQPSA-N 459.525 5.104 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4cccc(F)c4)CC3)n[nH]2)c1Cl 1815617318 UQUYCAQCIUOYLC-OAQYLSRUSA-N 491.954 5.112 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c(C(C)(C)C)c3)n[nH]2)c1 1816111837 VERTUHLWPMUVJX-HTAPYJJXSA-N 472.593 5.282 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2csc3c2CCCO3)n[nH]1 1817800383 LVKMAEACOPNVIK-OAQYLSRUSA-N 498.725 5.153 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)C3)n[nH]1 1817943358 ICORQARAFSTPMV-DENIHFKCSA-N 462.594 5.198 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)[nH]n1 1819306737 DOHRLJFPOQGYAN-OXJNMPFZSA-N 466.973 5.014 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)[nH]n1 1819306859 HKHSUMDSJPAOCP-IIBYNOLFSA-N 465.985 5.619 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1 1820433394 YFOOVWGTBSHDJJ-SFHVURJKSA-N 465.381 5.005 30 20 JKED CCOc1ccc(Cl)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)ccc2F)[nH]n1 1821154999 WGHPCXFMWIAHDS-OAQYLSRUSA-N 495.942 5.092 30 20 JKED Cc1cc(F)c(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1821333177 HIDLPQRBPZCLHH-FQEVSTJZSA-N 483.906 5.141 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(O)c3cc2OC)n[nH]1 1821500033 UGZZQZIHNNVOLV-CVDCTZTESA-N 488.588 5.351 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2)N(CC)CC)n[nH]1 1821753244 BNSQWGZUDYZCSK-KTIWRFAQSA-N 477.653 5.253 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3s2)[nH]n1 1821986570 SKJMJTIRSBSLNT-CYBMUJFWSA-N 450.536 5.203 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)n[nH]1 1822488551 KAECIJKRBKOOPW-IBGZPJMESA-N 480.918 5.120 30 20 JKED COc1c(Cl)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 1823216039 NIHNPUPKZQYBLK-AOMKIAJQSA-N 491.979 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCc4ccccc43)[nH]n2)c1 1823217453 SXEGMMVXIQWRTI-DVKBMCPXSA-N 467.573 5.073 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823683460 VATHLPUYAXDNOB-KVMXLORXSA-N 473.617 5.116 30 20 JKED C/C(=C\c1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1823716851 ZEFIEWILRQJXRY-FMPYCDKLSA-N 475.658 5.276 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cccc(Cl)c2)CC1 1823981463 CFOQOSYWMOFTNZ-BJKOFHAPSA-N 459.030 5.107 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1824140019 VIMNXBCEKOYTEF-CRAWXWEASA-N 459.634 5.569 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825096834 VNXFRJVLSYKYEU-JCKUYFFHSA-N 455.549 5.012 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccsc2)CC1)c1ccc(O)cc1 1825301950 AYBBMYWSOHNRGV-DZQQEKJOSA-N 490.669 5.284 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2Cl)CC1)c1cccs1 1827683828 LJVPFSGHASWUND-SQUSKLHYSA-N 489.012 5.213 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)CC2)cc1 1827775316 UCHRKPAPPORSMH-QFIPXVFZSA-N 487.522 5.036 30 20 JKED CC(C)n1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)c(C(F)(F)F)c1 1827780329 ZVCYQISZYNIGHX-OAQYLSRUSA-N 478.559 5.015 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)nc(CC)c2)CC1)c1ccccc1 1827926911 RITDYAZVWNANFX-VMPREFPWSA-N 485.672 5.383 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(Br)nc2C)CC1 1827972590 LJHGJWHBMMIOIS-RBUKOAKNSA-N 494.499 5.216 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828496344 YQEGSMJNVCAXOK-UQBPGWFLSA-N 484.040 5.021 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828602176 VMPNCXVUSKRGKM-KNQAVFIVSA-N 462.656 5.228 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)nc2)CC1)c1ccccc1 1829029419 AEWHCACYYGEPOX-VMPREFPWSA-N 485.672 5.140 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)CC2)c1Cl 1829685802 QIZFRURFWXMJCN-HLJPNSHOSA-N 493.957 5.178 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(F)cc3F)CC2)c1 1830093565 DLNPIGXLYPSTKD-CJAUYULYSA-N 465.544 5.139 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1830417910 KKGOXKREDGXAID-DCEDVJGZSA-N 490.088 5.500 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492389 SBNFBQSTDSESSF-MUUNZHRXSA-N 490.644 5.695 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c(Cl)c1 1830722618 NIYONTCCDMTFDX-DEOSSOPVSA-N 495.410 5.284 30 20 JKED CC[C@H](C)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755087 OOOZSNHFMJXACR-HTAPYJJXSA-N 463.544 5.247 30 20 JKED CC1(C)CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1 1830756382 WTBBZJVOCYCKFJ-JOCHJYFZSA-N 475.555 5.247 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1831446365 HSPSMOLNRRCGEW-LJQANCHMSA-N 458.471 5.150 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1831447000 BOKMZEKELKJHLG-JOCHJYFZSA-N 489.607 5.116 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832634945 YMGMBAJPVSOQPU-WKJACJRRSA-N 499.655 5.659 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832709222 YFUJCXRSHWZYOJ-UXHICEINSA-N 474.564 5.032 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CCC1 1832785099 HAFULJNRLQRRDO-AREMUKBSSA-N 471.601 5.406 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC(OC2CCN(C(=O)CCc3cccc(C#N)c3)CC2)CC1 1836647012 GLKJRCDAANXKQT-UHFFFAOYSA-N 495.708 5.486 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)CC1 1838374852 LBGTWDLWLXRHJY-SXOMAYOGSA-N 484.656 5.332 30 20 JKED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)cc1 1844654008 XWXFRTNWNOWNNL-UHFFFAOYSA-N 494.620 5.218 30 20 JKED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 1844724272 SXRWHERMHQYPKY-UHFFFAOYSA-N 492.582 5.553 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCCC12CN(C(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2 1846086983 GDEMMFWBMRAASJ-UHFFFAOYSA-N 463.544 5.391 30 20 JKED C=CCn1c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccccc1OC 10658769 CSDZNLKLFNXXQR-CQSZACIVSA-N 452.609 5.197 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10758049 NJICBTCHVUYCFQ-UHFFFAOYSA-O 485.988 5.541 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1)c1ccc(Br)cc1 11128073 XZHHKAQGMYQDQH-UHFFFAOYSA-O 496.328 5.512 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)(C)C)cc2)c(Cl)c1 15248239 URMVJXPWLNTCBL-UHFFFAOYSA-O 497.040 6.501 30 20 JKED C[C@@H](c1nnc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccccc1)N1CCCCC1 15355645 UJXSAZSOCNRZSY-KRWDZBQOSA-N 481.025 5.070 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OCC)nc2sc3c(c2c1=O)CCCC3 16715442 PWMKMVKZCQFZAH-HNNXBMFYSA-N 469.632 5.041 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 22143882 ZUOUBADAJSPQRM-UHFFFAOYSA-N 493.997 6.028 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(Cc3ccccc3)cc2)cc1 22693236 HQBOQLDRIXZIPO-UHFFFAOYSA-O 487.648 7.077 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NCCOC)cc1 22792712 GBDWECHADYBGIN-UHFFFAOYSA-O 454.443 5.359 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 29956614 NRZKGMWBMZLTLO-MHZLTWQESA-N 498.558 5.185 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(Br)cc1F 36801333 YMUVETTVQCFEJR-UHFFFAOYSA-N 452.324 5.376 30 20 JKED Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(OCCCC#N)c3)[C@H]2c2cccs2)cc1 71975068 KXROSZPREDHYRZ-BVAGGSTKSA-N 473.598 5.862 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1Cl 107648216 NUBSPYOJIJISDK-JOCHJYFZSA-N 471.969 6.562 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2nc3ccccc3s2)nnc1-c1ccccc1F 215612108 DNPMHORFWCQBIZ-UHFFFAOYSA-N 453.568 5.025 30 20 JKED COC(=O)Nc1cc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 303184825 LKNFJXUUADNZKQ-GORDUTHDSA-N 450.310 5.694 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(OCc4ccccn4)cc3)cc2F)c1 481568939 FZESTAAXVJGCPO-UHFFFAOYSA-N 482.515 5.572 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c12 487266893 WEMHHXCMNATMEL-UHFFFAOYSA-N 470.583 5.177 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 488029791 VSBMNMRLKWUACT-UHFFFAOYSA-N 484.556 5.178 30 20 JKED O=C(C[S@](=O)Cc1ccc(OC(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 495986537 GKOBPOQHNWECDE-WJOKGBTCSA-N 475.357 5.213 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 499890381 WTQFLHOEXXFMNS-JOCHJYFZSA-N 453.311 5.239 30 20 JKED Cc1cc2nc(C)c(CCC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)c(C)n2n1 501153264 TZGWAOVRYQFOPV-UHFFFAOYSA-N 455.537 5.140 30 20 JKED Cc1cccc(N(CCC#N)C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1C 501548577 FWEMYHMAIMQMHW-UHFFFAOYSA-N 496.036 5.501 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)C2CC2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502959854 DQBFOMPFDCABLB-UHFFFAOYSA-N 472.397 6.298 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1C 505508640 WNXVWVWYQKFAQV-DENIHFKCSA-N 452.480 5.385 30 20 JKED N#Cc1c(NC(=O)CCN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)sc2c1CCC2 507949886 OOHKFFXMAYMQON-INIZCTEOSA-N 482.009 5.020 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)s2)cc1 508364608 ZFDHGVZPIZMCQK-NVXWUHKLSA-N 475.521 5.398 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CCOc4c(-c5ccccc5)cccc43)CC2)c1 509872852 NAIDQGCTANVKDD-SANMLTNESA-N 480.568 5.109 30 20 JKED COc1cc(OC)c(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 510004837 HYRAXNPGEOIPJX-HXUWFJFHSA-N 465.937 5.343 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)ccn2)cc1 511265310 JCZYIBJMKCSRRT-UHFFFAOYSA-N 485.569 5.513 30 20 JKED Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)C2)cc1 515706138 ZFGUYAGMMLBNBN-FQEVSTJZSA-N 455.583 5.185 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCc4c(Cl)cccc43)cc2Cl)cc1 516729620 DUGGULJGLLPRDQ-OAQYLSRUSA-N 466.324 5.400 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 518248376 GHIVSMGBSNORKR-NWDGAFQWSA-N 454.354 5.343 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1C 520453335 IIAKITXLVQVBPL-UHFFFAOYSA-N 484.579 5.315 30 20 JKED CCN(CC)CCN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 520605679 DOBXAKIGYCLSKK-UHFFFAOYSA-N 469.589 5.186 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 520835361 KXVMZCZBPFSECC-INIZCTEOSA-N 479.499 5.341 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(NC(=O)CCN3CCCCC3)c2)c1 521316553 SPOGCVSFBDIXJC-UHFFFAOYSA-N 482.584 5.204 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSCCOc1ccc(Cl)cc1Cl 521734115 NJOAQSHRQYOAMG-AWEZNQCLSA-N 455.432 6.138 30 20 JKED Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)ccc1OCCCC(=O)O 523870065 OWICRGMTEDOBOS-QFIPXVFZSA-N 498.988 5.348 30 20 JKED Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524376695 FIHYAPBKACJOOC-GOSISDBHSA-N 457.530 5.163 30 20 JKED C=CCSc1ccccc1NC(=O)CN1C(=O)[C@H](c2cccs2)N(Cc2ccccc2)C1=O 524468956 XNNBHLOUTQTZAT-QHCPKHFHSA-N 477.611 5.170 30 20 JKED CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1SC[C@H](C)C#N 553319633 UTFIGGHUKVPHCM-SYNKRZKOSA-N 453.652 5.234 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)cc1 589719185 PYAWGVIJTZYCCS-OAQYLSRUSA-N 481.540 5.271 30 20 JKED O=C(Nc1cc(F)ccc1Oc1ccccc1)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590189004 ZFNBWIBFRHHPFF-CHWSQXEVSA-N 478.364 5.146 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cnn(-c2ncccc2Cl)c1C(F)F 593647467 DGJSZGYPCWUGSJ-IUCAKERBSA-N 490.782 5.498 30 20 JKED Cc1ccc(-c2cc(-c3nnc(SCC(=O)NCc4ccc(C#N)cc4)o3)c3ccccc3n2)cc1 603614720 OHWREKFFBLBANV-UHFFFAOYSA-N 491.576 5.540 30 20 JKED Cc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1NC(=O)c1ccc(Br)cc1 603637202 JPPYOIXROWYXKG-UHFFFAOYSA-N 468.376 5.812 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 603755046 LEGNYMOPHCKGRH-UHFFFAOYSA-N 452.308 5.348 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)o1 603951143 CYWGMEZPPMJBCK-UHFFFAOYSA-N 487.947 5.621 30 20 JKED CCCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1OC 603995893 SJLNUNHRLDWFCU-UHFFFAOYSA-N 463.921 5.514 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 604100577 IRPSPLRGZZGVMQ-UHFFFAOYSA-N 498.564 5.416 30 20 JKED Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2)c1 604241737 KQHAYWMVRXDOBV-UHFFFAOYSA-N 484.537 5.107 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)CNc1ccc(C#N)cc1 604452226 PQSXWWAJPCFHQJ-UHFFFAOYSA-N 452.436 5.188 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1C(F)(F)F 604502416 BLEKDRDUPRVWOH-UHFFFAOYSA-N 456.262 5.020 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1)c1ccc(C#N)cc1 608863950 APBQJLJXSXVCIC-QGZVFWFLSA-N 472.932 6.328 30 20 JKED COc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1Cl 608928153 DITFVEMNLSTFIH-UHFFFAOYSA-N 487.912 5.087 30 20 JKED COc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1OCc1ccc(Cl)cc1 609068024 FVXAXCSOPCSOHI-UHFFFAOYSA-N 458.848 5.653 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)s2)cc1 609355302 WZWPYXNWWPRZFL-LJQANCHMSA-N 487.629 5.420 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc2cc(Cl)ccc2s1 609381701 MOHPJJCLEXGXOA-UHFFFAOYSA-N 469.941 6.546 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1OCc1ccccc1 609434908 ZPEZXVCZVWJZRD-LJQANCHMSA-N 461.587 5.990 30 20 JKED C=CCn1c(SCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)nnc1-c1ccoc1C 613907482 GXSHAJHNZWXMHF-JOCHJYFZSA-N 466.607 5.277 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(CC)cc2)c2cccs2)nnc1-c1cccnc1 613991999 XMMGPJYAKXRZNQ-HSZRJFAPSA-N 475.643 5.148 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccc(C)o2)cc1F 726412174 QNBZGQXNCHSULV-QFIPXVFZSA-N 499.539 5.078 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CC2)c1 726414155 XQNBZAUMRBMPEH-SFHVURJKSA-N 458.370 5.097 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(CC(F)(F)F)C1=O 726422736 YNCGGKIWMJVIGP-JZWCKYMZSA-N 489.972 5.662 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)n(C)c2C)cc1 726571269 PZULMVHKQVLAHU-UHFFFAOYSA-O 466.030 5.730 30 20 JKED C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(NC(=O)c3ccoc3C)CC2)c1=S 727428874 YYRQJVTUSCBBIW-UHFFFAOYSA-N 493.677 5.318 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 727534318 RUQIZOPCIWJISY-FQEVSTJZSA-N 490.629 5.008 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2sc(-c3ccc(C)cc3)nc2C)cs1)c1ccc(F)cc1F 727654022 FPOHFKMUGOWWKR-LUAWRHEFSA-N 495.576 6.742 30 20 JKED CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 728028319 FTMBEPNZEGEBDT-AREMUKBSSA-N 451.567 5.468 30 20 JKED C[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 728110818 UZYLHDONFWCMRG-MRXNPFEDSA-N 489.553 5.116 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(NN=C2CCCc3nc(-c4ccc(Cl)cc4)sc32)nc1 728428085 OIINVUSOCUCEHY-UHFFFAOYSA-N 490.054 5.042 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N([C@@H](c2ccc(F)cc2)C2CCC2)C1=O 729144210 CJKYZZPUGCWERI-PZJWPPBQSA-N 491.535 5.036 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3scnc3C)C2=O)c1 729144818 GGTQRUSCOLSRGZ-FQEVSTJZSA-N 464.616 5.229 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 729370748 WBQBIPVISQOGJG-DEOSSOPVSA-N 457.530 5.607 30 20 JKED CC(C)n1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Cl)cc(-c3ccccc3)nc21 729889320 NODODPKXYKSBEZ-GOSISDBHSA-N 457.921 5.294 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H]2CCc3c(Cl)cccc32)cc1 730717132 FRLMWTBPXVMLII-LEWJYISDSA-N 492.004 5.086 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H](C)c1cccnc1 730943747 KEJAANARGUVYLM-MBSDFSHPSA-N 458.587 5.366 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 730945379 QTYAPDPWGBEMTN-UQBPGWFLSA-N 480.593 5.956 30 20 JKED CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 730993828 CZBCIQRYTKZZMK-GOSISDBHSA-N 496.610 5.357 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310407 HQLSOIXOEVLWGE-VFNWGFHPSA-N 483.590 5.184 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)O)c2)cs1 745020080 BHBHKAINKNKIHQ-ZHZWZMEUSA-N 470.934 5.229 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S 745162763 WTLVAEZFGDZODT-UHFFFAOYSA-N 458.547 5.019 30 20 JKED COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nn(CN(C)C[C@H](C)C#N)c1=S 746705862 CILCGWOCSDZXGJ-OAQYLSRUSA-N 499.640 5.707 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCOC2CCCC2)c1 747042736 IAVTZILRZASQSY-HSZRJFAPSA-N 481.618 5.005 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CCc3nccs3)C2=O)c1 747601257 FDVIDIGLDGRBHW-NRFANRHFSA-N 492.670 5.580 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2cscn2)C1=O 747602362 ZYJDYLGHZHSBLR-JOCHJYFZSA-N 494.642 5.401 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(NC(=O)OCCOC)c1 749333764 TURXQAHNVNNYSV-UHFFFAOYSA-N 480.334 5.003 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cs2)cc1 749337076 ABHDYLAFSCCALS-NRFANRHFSA-N 455.539 5.712 30 20 JKED CCOc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc(Br)c1OC(F)F 750895410 GOWFSNRJPXECPS-BQYQJAHWSA-N 454.267 5.304 30 20 JKED O=c1c2cc(Br)ccc2ncn1N=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 767313447 KTAOAOSSEFOOTG-UHFFFAOYSA-N 488.320 5.033 30 20 JKED C=CCN(C(=O)c1csc(COc2ccc(F)cc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 827443739 RRFVVROBXYDFIO-UHFFFAOYSA-N 496.545 5.726 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2cccs2)cc1 838035625 BXGOZSQGWAHAOO-QFIPXVFZSA-N 493.610 5.120 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C#N)c2)NC(=O)N1CCc1cccs1 840174578 QHZJBMVHYXAXOP-DEOSSOPVSA-N 456.571 5.150 30 20 JKED C=CCn1c(SCc2nc(-c3ccccc3F)no2)nnc1-c1ccc(Cl)cc1Cl 904773058 NCSGMZDHZXUNAN-UHFFFAOYSA-N 462.337 5.919 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1C 914547481 YEIIHZXYJDBNKM-RDPSFJRHSA-N 472.614 5.098 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)Cc1ccco1 914692491 ZNWXUSGUGJAVKT-VGSWGCGISA-N 465.550 5.319 30 20 JKED CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 915101218 DIVLKKLYPZDBMW-PZJWPPBQSA-N 479.989 5.343 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)cc1F 915116495 IDILFYSSAZSEBT-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc2)cc1 915729199 GSTCPTJELHKZCE-WUFINQPMSA-N 475.548 5.195 30 20 JKED CCCOc1c(Br)cc(Br)cc1C=Nn1c(S)nnc1-c1ccco1 916318142 CQVWEZIMFQUZHI-UHFFFAOYSA-N 486.189 5.023 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1 916911118 ZFVXXSMRDKCSCF-NRFANRHFSA-N 463.628 5.830 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1nc(-c2ccc(Cl)cc2)cs1 916975380 CCMYADBFNBJXLS-GDBMZVCRSA-N 456.354 5.346 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc1 917024881 BNICCMXLLFNNJS-FQEVSTJZSA-N 459.600 5.483 30 20 JKED CC(=O)N(c1nc(C=NNc2nc(C(F)(F)F)nc3ccccc23)cs1)c1ccc(F)cc1F 917215232 MERQWDOSFMLACE-UHFFFAOYSA-N 492.433 5.514 30 20 JKED Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc(COc3ccccc3C#N)o2)c2cccs2)cc1 917329101 ZJHDIENWQAUIAJ-AREMUKBSSA-N 486.549 5.163 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(SC(F)F)cc1 917653290 JAKRGYZGPLZHQD-SFHVURJKSA-N 497.564 5.137 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3cccs3)C2=O)cc1 917663037 IVHPDJJONOIKBS-NRFANRHFSA-N 482.606 5.114 30 20 JKED Cc1ccc(-n2nnc(C(=O)/C=C\c3cccc(NC(=O)c4ccccc4Cl)c3)c2C)cc1 918752788 BKEJLNWGIOLRIE-QINSGFPZSA-N 456.933 5.686 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c12 919208134 JRLZRYNZLLQJEA-UHFFFAOYSA-N 479.606 5.029 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 920106397 PDNTWRJISXNWAC-HXUWFJFHSA-N 452.470 5.202 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920110059 YGJWTHFQUHSXFV-GOSISDBHSA-N 455.345 5.265 30 20 JKED N#C[C@@H](C(=O)CCCOc1ccc(I)cc1)c1nc(-c2ccccc2)cs1 920113807 PPDOCFPFQHVFHO-SFHVURJKSA-N 488.350 5.450 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N([C@H]2CCc3c(Cl)cccc32)C1=O 920169903 IWWCGIHKOKYMAP-ZWKOTPCHSA-N 496.004 5.410 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)cs1 920510039 SEJGNZYLRKJPEX-AWEZNQCLSA-N 489.475 5.229 30 20 JKED COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1NC(=O)OC(C)(C)C 920854076 IFYNRLLOHRJWSB-UHFFFAOYSA-N 489.576 5.689 30 20 JKED CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 921045418 RSXLNTDOQVJJKW-OAQYLSRUSA-N 465.619 5.370 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CCC1 1785786878 BQPHOBLUCYWMDA-UHFFFAOYSA-N 492.535 5.040 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4cc(OC)ccc34)cc2)CCC1 1786169789 ZAAUKSJTRFEQBM-XMMPIXPASA-N 471.601 5.622 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](CC4CCCC4)NC(=O)OC(C)(C)C)cc3)CCC2)C1 1786179375 XXVDBVZJPMOHEG-DEOSSOPVSA-N 495.664 5.560 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3ccc(-n4cccn4)cc3Cl)CCC2)cc1 1786679526 QMLXDWJXCMGYEO-UHFFFAOYSA-N 481.021 5.193 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Cl)ccn34)cc2)CCC1 1788384422 KHESOXNMKWFSFZ-OAQYLSRUSA-N 462.981 5.504 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C4=NO[C@@H](c5ccccc5)C4)cc3)CCC2)cc1 1789143730 BSQBIMLAGQOYSB-AREMUKBSSA-N 478.552 5.018 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4cc(F)c(F)cc4[nH]3)cc2)CCC1 1789228476 CAIZKORYVWYQIO-NRFANRHFSA-N 457.546 5.148 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789455240 OPISBBKAIQHKLH-GOUWZUTHSA-N 493.648 5.287 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3Oc3ccccc3)[C@H]2C1 1789460129 YLSADMAEANJEQE-CVJWPJSTSA-N 476.617 5.065 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCCC3)CCC2)cc1 1790469851 PRUZJBVGACBZSF-QHCPKHFHSA-N 481.637 5.008 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3C#N)cc2)CCC1 1790473022 ITUVUTGCVXJFDR-RUZDIDTESA-N 457.574 5.012 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)n(C(F)F)n1 1792125186 SYKQUKLCVXOIDX-MRXNPFEDSA-N 477.515 5.275 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)c(O)c(Cl)c4)CCC3)cc2)c1 1792126591 GLNDFKLESMVEQT-MRXNPFEDSA-N 489.959 5.440 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792205349 WMBDYTSXVCRSFP-WTIAFYNJSA-N 483.653 5.416 30 20 JKED CC(C)n1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#Cc2ccc(Cl)cc2)c(C(F)(F)F)c1 1792942693 ICPXCRHLYCOVBD-ACDBMABISA-N 491.941 5.045 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C(F)(F)F)c2F)c1 1800413612 OPEVWPSCGRAYTH-DQEVTTJGSA-N 473.470 5.037 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2)C(F)(F)F 1801704346 FRSGRNXYPYDYGY-BJWYYQGGSA-N 473.520 5.267 30 20 JKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccc(OCc2ccccc2)cc1)C(C)C 1802082760 WXOSIZVCOZMVJA-GIBNYFNHSA-N 460.618 5.220 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/c2ccccc2Br)c1 1802518347 ZXPUUAFZZQOQOF-KWVKZCBQSA-N 492.417 5.041 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)[C@@H]1c1cccnc1 1803088297 JQYQMMBZAHKNSS-WMISLZHDSA-N 463.666 5.462 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(OC)c(OC)c3Cl)CC2)C1 1804857664 PTQZHHOVYPDLKU-UHFFFAOYSA-N 477.045 5.194 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)ccc3F)C2)CC1 1805126084 AGGYQTNNQBFQNC-LJQANCHMSA-N 477.418 5.201 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@H]3CCCCC3(F)F)C2)CC1)c1ccccc1 1806204662 NKZNHOKIUYBNHN-BJKOFHAPSA-N 470.604 5.240 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 1806594895 XLUTWDTWCDPMNY-GZGNHOFSSA-N 485.550 5.117 30 20 JKED CC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1)c1ccccc1 1809013253 LWLJNKKOWVAMBB-NVQXNPDNSA-N 457.618 5.352 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC3(CCN(C(=O)c4ccc(C#N)cc4)CC3)C2)cc1 1810351279 LYMVCMUPEGWOJH-UHFFFAOYSA-N 478.596 5.087 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(CC#N)cc2)[C@H]1c1cccnc1)c1ccc(F)cc1 1811368858 YVUZKVSFMGTSQY-RZDMPUFOSA-N 498.602 5.046 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)[C@H]2c2cccnc2)cc1 1811894437 XCZXFAYRDIJPCP-OZXSUGGESA-N 499.014 5.048 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2cnc3ccccc3c2)n[nH]1 1814725827 FKNGISFZYHWJQI-VWLOTQADSA-N 471.605 5.351 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](c3ccccc3)C(C)C)n[nH]2)c1 1814930766 BRVFCVYHTMHRMS-AHWVRZQESA-N 485.588 5.036 30 20 JKED CO[C@](C)(C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](S)C(C)C)n[nH]1)c1cccc2ccccc12 1815241508 FFRIDZPGKCDUSN-DPPGTGKWSA-N 494.661 5.071 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)nc3ccccc23)[nH]n1 1817119670 HTLXLUJPEZQGBR-VWLOTQADSA-N 478.556 5.235 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc4nc(C)sc34)sc2C1 1818145454 CLTIKTJMCHBINE-HOTGVXAUSA-N 466.632 5.055 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818594175 HIYHMSDGMKFJMH-LPHOPBHVSA-N 460.600 5.024 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1cnc3ccccc3c1)CC2 1819594456 MCQSXHKSZATATP-RTWAWAEBSA-N 474.630 5.005 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)n[nH]2)C1 1820148727 BNDMRRSKUSZZEQ-XMMPIXPASA-N 479.584 5.602 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(NC(=O)CCC)c(C)c2)n[nH]1 1820174707 WFXNYGNCQSXUIM-XUZZJYLKSA-N 491.636 5.531 30 20 JKED Cc1cc(Br)sc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1 1820316055 QYPPGRNBOPDVFS-QGZVFWFLSA-N 498.406 5.034 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)[nH]n2)cc1 1821183067 NZDIPGZTDBJODW-ZJOUEHCJSA-N 487.526 5.150 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCCCCNC(=O)OC(C)(C)C)[nH]n1 1821929500 WDUNXLAOLVATPZ-CTNGQTDRSA-N 489.661 5.089 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1cc(F)cc(Cl)c1 1823207149 GEZLUFOISWPZIL-DKFQHHCZSA-N 486.956 5.009 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)[nH]3)[nH]n2)c1 1823215334 QEEDTOGFECAHAY-KUHUBIRLSA-N 484.482 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)cc2Cl)n[nH]1 1823247608 JKQWZGDLELAKPL-DYESRHJHSA-N 456.974 5.146 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)c(Br)c3)CC2)C1 1823701716 NUPQAIQLMDBVKD-QHCPKHFHSA-N 491.445 5.107 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1824141921 AMJDZYSTRFGMCG-IUKPUOCZSA-N 489.660 5.578 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1824512187 XXDSEAGYPVZPKH-FDDCHVKYSA-N 481.464 5.137 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1824537108 BWTDWUQJXARQHD-FCHUYYIVSA-N 462.059 5.009 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 1824761812 FDIZEVRDXFXSMS-JWQCQUIFSA-N 497.680 5.006 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1824959007 NHUUWCPHSKXQRH-VWLOTQADSA-N 479.690 5.058 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(-c4ccccc4)noc3C)CC2)c1 1825767115 ZYYGWHMUSNLKEW-SANMLTNESA-N 496.611 5.377 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(F)c3)CC2)c1 1826555839 NOZCMSGQOZMCCH-SIBVEZHUSA-N 479.571 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2sccc2Cl)CC3)c1 1827699500 QWSXHDSJUIHZTA-DOMZBBRYSA-N 471.007 5.025 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 1827769497 FLXLEDFYHFZGRP-HXUWFJFHSA-N 453.549 5.259 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4ncccc34)CC2)c(Cl)c1 1828029564 RBYXRHHENCYSGC-AREMUKBSSA-N 487.003 5.307 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1828741835 USWXMJRWAULNOB-RBBKRZOGSA-N 462.059 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829140178 UWHYPLCGFQGTTD-IBGZPJMESA-N 453.549 5.259 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829580494 DFEPQBQBRPFVND-HSZRJFAPSA-N 493.673 5.370 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(Br)c3)CC2)CCC1 1830558931 PFOPUODMALDVDU-HXUWFJFHSA-N 492.845 5.030 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ncsc34)CC2)c(Cl)c1 1830721446 FZVTWIJHVIMHDO-QHCPKHFHSA-N 493.032 5.368 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1831370221 HRFBLXQXEAJJKL-UZLBHIALSA-N 460.043 5.395 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1831370314 KVLNDJPTMAEQRJ-XWGVYQGASA-N 491.717 5.148 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1831374617 RHEDHCCEPKRVMK-XMQADNEMSA-N 463.622 5.022 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1831446006 QUXRENMQMHTWAK-KRWDZBQOSA-N 462.459 5.052 30 20 JKED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)c1cccs1 1832146174 IWIACJBEGZGJNB-LAUBAEHRSA-N 470.038 5.310 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1 1832629471 RPTHFMGSGFSETO-ZBLYBZFDSA-N 487.619 5.418 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(F)cc(F)c3F)CC2)c1 1832635648 NLQNQLNTCLKOHG-BXKMTCNYSA-N 483.534 5.278 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832683117 FPQPUVHIYTXHFU-KPURRNSFSA-N 499.655 5.650 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)CC1 1836694424 JUVLRERPXXIVFP-UHFFFAOYSA-N 484.603 5.122 30 20 JKED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cc(Cl)sc3Cl)C2)cc(C(F)(F)F)c1 1844566492 HZQCTNSNASFIOB-UHFFFAOYSA-N 488.318 5.076 30 20 JKED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)cc1 1844927339 GPWGDDFPYMKSEP-UHFFFAOYSA-N 461.993 5.003 30 20 JKED O=C(O)c1ccccc1N=C1CCN(c2nc3ccc(Cl)cc3n3c(C(F)(F)F)nnc23)CC1 1857777266 ZKMBVLPWFCAHSK-UHFFFAOYSA-N 488.857 5.021 30 20 JKED C=CCn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nc2cc(Cl)ccc2c1=O 9085514 YPMIFMQTLZLKMG-UHFFFAOYSA-N 493.013 5.493 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccccc2OC)cc1 10118309 GRAQODLTXOQRQM-UHFFFAOYSA-O 475.678 7.061 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc3c(c2)CCCC3)cc1 10173991 ORLVUENBGJLIES-UHFFFAOYSA-O 465.664 5.981 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 11128083 GMZJDGPQRNNNKQ-UHFFFAOYSA-O 474.484 5.514 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(NCc3ccccc3)s2)n(C2CCCC2)c1C 12470589 IKMGVSAKUCDVQG-UHFFFAOYSA-N 466.636 5.286 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22692605 KBBRMGMMWJTNOW-UHFFFAOYSA-O 495.668 5.919 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(N(C)C)cc2)cc1 22731084 WLXXOFGBWJCGNQ-UHFFFAOYSA-O 489.448 5.797 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 23603062 OWVSCCQUXYGNMV-UHFFFAOYSA-O 454.619 6.002 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(C)c(F)c2)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23604546 ZDLRTKNTKQWBCI-UHFFFAOYSA-O 472.609 6.008 30 20 JKED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nnc(-c3cc(C)cc(C)c3)o2)cc1 24876545 AFBXFUGQRQVOOF-UHFFFAOYSA-N 487.585 5.372 30 20 JKED C=CCn1c(SCc2nnc(C(=O)Nc3ccc(CC)cc3)s2)nnc1-c1ccc(Cl)cc1 32326360 OUUXEYHSMVTALV-UHFFFAOYSA-N 497.049 5.743 30 20 JKED COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 107647728 SIZGNCLDDLQJBU-FQEVSTJZSA-N 495.919 5.190 30 20 JKED N#C[C@H](C(=O)c1cc(Br)c2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1 195652829 XZHFDFAMSZZCSZ-CYBMUJFWSA-N 461.724 5.445 30 20 JKED N#C[C@@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1nc2cc(Cl)ccc2s1 195664232 JOSOBDBYUJOGQE-IBGZPJMESA-N 458.930 5.666 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)cc1 195698049 MDLGPVKBZKEGST-UHFFFAOYSA-N 457.317 5.741 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(OCc3nccn3C)cc2)cs1)c1ccc(F)cc1F 208624035 RXTPOKIWVANMPZ-POHAHGRESA-N 494.523 5.315 30 20 JKED C=CCN(C(=O)c1cnc2c(c1)c(C)nn2C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 302951253 MPUUTEHQZRVKKR-UHFFFAOYSA-N 458.374 5.540 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 303357323 PADXRACSUJUUKY-AWEZNQCLSA-N 455.992 6.300 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)cc1 409816701 FEEFNMOTNJOFHR-QFIPXVFZSA-N 483.337 5.263 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 479812138 GHXZDZUFRSFTDO-SJORKVTESA-N 490.098 5.300 30 20 JKED CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481684560 KMXLTDLZRKCHBO-UHFFFAOYSA-N 455.436 5.542 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 483351802 MCELYRDFEAHQKY-RDPSFJRHSA-N 455.533 5.149 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 498760399 ZDNFLDQYKCLLIC-IBGZPJMESA-N 484.622 5.272 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccco1 499319339 LEESCMCGGMQWTF-MCNSAMFCSA-N 461.591 5.332 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 501162635 PRNKQGWYRMQRMC-UHFFFAOYSA-N 475.523 5.707 30 20 JKED CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 501467795 PCBXMWGSMFPASG-VWLOTQADSA-N 477.511 5.003 30 20 JKED C=CCN(C(=O)c1ccc(SCc2csc(C)n2)cc1)c1nc(C(=O)OCC)cs1 501941790 KCAHBFNUCUZGAK-UHFFFAOYSA-N 459.618 5.210 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 505641854 ABIGDLCIWIWKBB-UHFFFAOYSA-N 499.548 5.412 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 508165443 RUTKMZNZYICISO-UHFFFAOYSA-N 468.582 5.667 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 508604612 PCLZXPMQHPSNAS-UHFFFAOYSA-N 491.385 6.108 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 509611738 TXZAZXUNZARQKK-UHFFFAOYSA-N 473.432 5.050 30 20 JKED N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nnc(-c3ccccc3Cl)o1)CCCC2 512335541 GOLPLBLBHNDVMF-UHFFFAOYSA-N 489.988 5.662 30 20 JKED Cc1ccc(Sc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)cc2[N+](=O)[O-])cc1 518642094 SHFUWQUYJBBWSP-LJQANCHMSA-N 472.551 6.063 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2C)cc1 518743230 RVKSUKYDTNTCFI-GOSISDBHSA-N 495.626 5.451 30 20 JKED O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 519102554 BQIJSQGLFVYTHT-UHFFFAOYSA-N 488.334 6.507 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)cc1C 519351395 AXXOVMFZFHDKLL-UNMCSNQZSA-N 463.379 5.129 30 20 JKED C=CCN(C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 524168202 KUJFXORPDSGPBV-ZWKOTPCHSA-N 460.665 5.585 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 524433054 LARLCDNYFJVAFA-SFHVURJKSA-N 495.501 5.623 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 556502782 IXBORPXBPSBPPM-UHFFFAOYSA-N 480.568 6.138 30 20 JKED C=CCn1c(SCC(=O)N(CC)Cc2ccoc2)nnc1-c1ccc(Cl)cc1Cl 588053142 BTQLTKPVFWOQFN-UHFFFAOYSA-N 451.379 5.172 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1OCC(F)(F)F 603689130 ACZDBDCLAOZXGN-UHFFFAOYSA-N 472.423 5.017 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1OCc1cscn1 604027355 WFDWXUXVGRBMJK-UHFFFAOYSA-N 491.956 6.300 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1Cl 604134768 ATYMAYREMXAYPR-VWNXMTODSA-N 478.379 5.855 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cc(Cl)c2c(c1)OCCO2 609078694 JBZMHOSCYFTMIV-UHFFFAOYSA-N 463.921 5.192 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1 609168747 FCHHEXUDRCGUSR-UHFFFAOYSA-N 477.520 5.888 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(F)F 613346708 NZCVIMAMICNPIC-ZDUSSCGKSA-N 469.296 6.217 30 20 JKED C=CCn1c(SCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)nnc1-c1ccccc1F 613906583 OEMNPXXPFROHMX-UHFFFAOYSA-N 456.562 5.329 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccc1OC 617994317 KAWUDVPOBQSXJG-KRWDZBQOSA-N 450.608 5.384 30 20 JKED C[C@H](OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)N(CCC#N)c1ccccc1 725994238 DOABPFPJPMGKMF-HNNXBMFYSA-N 473.476 5.321 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1cccc2ccccc12 726319297 FNBZBEFCOXGWSH-FQEVSTJZSA-N 479.483 5.872 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1ccc(F)c(Cl)c1 726321291 GRXXMRQWYJWSBJ-OAHLLOKOSA-N 481.858 5.511 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 726330059 XHHAONOTUYJZAF-MRXNPFEDSA-N 454.502 5.039 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccccn2)c1 726409956 FQPDYMCUNBYQFR-AREMUKBSSA-N 490.588 5.377 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCOC2CCCC2)c1 726410620 DLDZSFSQNHVQGF-XMMPIXPASA-N 493.604 5.117 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3cccs3)C2=O)cc1 726421399 QGFXCXIAJJAEIS-OVRHBKGWSA-N 497.667 5.602 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCc3cc(C)ccc32)cn1 726893278 XWPCJHNCQYMTTM-GOTSBHOMSA-N 486.597 5.046 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3cc(C)c(Cl)c(C)c3C2=O)cs1 727781018 ZZESCLBZSXOSMM-OQLLNIDSSA-N 473.381 6.410 30 20 JKED O=C(O)c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C\c3nc(-c4ccccc4)cs3)cc2)cc1 727973990 FFZKIGHQDCFDOF-PFONDFGASA-N 490.562 5.205 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727999698 PCHVQKMLXJAGRI-UHFFFAOYSA-N 480.864 5.476 30 20 JKED O=C(O)C(=O)/C(=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2ccccc2n1 728156532 JPJZNJPKMDSDOJ-BOPFTXTBSA-N 454.429 5.571 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccccc3-c3ccccc3)cc2F)c1 728200917 SYOVSRKRWMINKT-UHFFFAOYSA-N 451.501 5.994 30 20 JKED Cc1ccc(-c2nnc(S)n2CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 728212243 DXJFRORAXFKKBO-UHFFFAOYSA-N 487.560 5.161 30 20 JKED CC(=O)N(c1nc(COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1C 728346441 HMCFYFZJILRQGA-XMMPIXPASA-N 488.613 5.337 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 729667357 FOCUURASDOBCEY-UHFFFAOYSA-O 491.561 5.282 30 20 JKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2c(F)cccc2F)cs1 729894717 QGORDUKTBSUUFT-MRXNPFEDSA-N 468.485 5.477 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2c(C)noc2C)c1 730445217 VDEHOKFOMXTWSK-QHCPKHFHSA-N 476.602 5.111 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1C1CCC1 730462079 VSZDXVYLOQZFSQ-LJQANCHMSA-N 461.946 5.001 30 20 JKED Cc1cc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)c(C)n1-c1ccc(C#N)cc1 730551884 DPFYOWJRUJEFGX-UHFFFAOYSA-N 454.555 5.461 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3cocn3)C2=O)cc1 730727586 SDAPQTUOLSRWSL-QFIPXVFZSA-N 462.575 5.267 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2[C@H](C)c2ccc(C)s2)c1 730727912 XSBFIJKZIZZTOW-BEFAXECRSA-N 483.594 5.016 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943345 CXWZLQDEONZBLJ-YADARESESA-N 488.613 5.510 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(C#N)cc2)cc1 731307246 GHBLIDLKIFALQH-VWLOTQADSA-N 498.608 5.548 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 731332201 GGWZCBGQJVEVJM-INIZCTEOSA-N 478.039 5.161 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2OC(F)F)cs1)c1ccc(F)cc1F 745998310 JDJJHDRPJCKXQN-CLFYSBASSA-N 450.413 5.603 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)[C@H](C)c1c(C)noc1C 749786410 UFIJLDXQHSXSAW-QVKFZJNVSA-N 464.547 5.616 30 20 JKED Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccccc2N/C=C\C(=O)C(F)(F)F)c(Cl)c1 829816866 NWSMBJKFFRLFOA-CKXPSTMWSA-N 468.859 5.198 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 837347337 WRKSTPURFIFYBH-JPYJTQIMSA-N 474.586 5.120 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1 858085849 KYQVYWFZUGOBSH-HXUWFJFHSA-N 499.596 5.105 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NCc2ccc(-c3ccncc3)cc2F)cc1 864001275 VTDFAKVWIJQBFV-GNVQSUKOSA-N 466.582 5.093 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)o1 915116217 DUXDTQSNEMNWDZ-NRFANRHFSA-N 469.513 5.069 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@@H]2CCCO2)c1 916204709 ADOIYLUNRLONCY-GHTZIAJQSA-N 472.010 5.096 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)s2)cc1OC 916915618 GKTPNZDTOQYPIP-IBGZPJMESA-N 471.538 5.250 30 20 JKED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 916932092 ZTUBKRFIZWCOMA-QGZVFWFLSA-N 478.961 5.078 30 20 JKED CCOc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916995765 HEFVTEVHYSJCKN-SFHVURJKSA-N 473.381 6.355 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 916995805 IHRARASQMKBVIT-CQSZACIVSA-N 490.462 7.029 30 20 JKED N#C[C@H](C(=O)CCN1c2ccccc2Sc2ccccc21)c1nc2ccccc2n1C(F)F 917039842 FJNFXFXXUKZWNA-MRXNPFEDSA-N 460.509 6.301 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(C[C@H]2CCCO2)c1=S 917457587 MBBRXGIPYVKDQD-HXUWFJFHSA-N 453.637 5.063 30 20 JKED CC(C)(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3ccccc3c2)[n+]2cccc(O)c2)C=C1 917609995 DVSPGGHKRQRLEX-UHFFFAOYSA-O 498.628 5.953 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(C3CCN(C(C)(C)C)CC3)C2=O)c1 917675478 KHJVAAAFUFPOEP-DEOSSOPVSA-N 492.689 5.527 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1 917684307 BXUAIRAAVWNTNT-NRFANRHFSA-N 483.590 5.446 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3OC)N(Cc3ccc(C)s3)C2=O)c1 917694230 DPKHMPBBMFIRED-JOCHJYFZSA-N 495.626 5.234 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccsc1 917695094 QVBWUPLSLUQGEV-FQEVSTJZSA-N 469.563 5.056 30 20 JKED Cc1ccc(N2CCCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)cc1 918037365 LHKXMMSWKHCZMB-UHFFFAOYSA-N 454.574 5.384 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 918220015 GLGXXHVCFHKGOE-HZPDHXFCSA-N 451.995 5.052 30 20 JKED COc1cc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccc1OC(C)C 918257549 LCAVWWCHCNTNPS-UHFFFAOYSA-N 493.947 5.055 30 20 JKED COc1cc(/C=C(\C(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)c2ccccc2)ccc1O 919171608 YIVQVXGNNBHYQZ-UQQQWYQISA-N 484.552 5.048 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)c12 919195861 MFEOPGARHLSJQE-UHFFFAOYSA-N 493.995 5.129 30 20 JKED COc1ccc(OCc2nc(/C=C3\COc4ccc(Br)cc4C3=O)cs2)cc1 920065643 CJJLQNJDBMWTGB-MDWZMJQESA-N 458.333 5.152 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3c(Br)cccc3C2=O)cs1 920066508 DOJDTSKZAIFZMW-XNTDXEJSSA-N 469.360 5.557 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2nnn(-c3ccc(C)cc3)c2C)cs1 920067026 APVHECOXRUNZCE-JYRVWZFOSA-N 477.977 5.575 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)c3c(C)[nH]c4ccccc34)nn2-c2ccccc2)cc1 920105364 DBIYNPLXGTTWGP-HSZRJFAPSA-N 474.520 5.543 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 920139563 UYVHLQAQVVEZSO-JOCHJYFZSA-N 470.550 5.896 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)COc3cc(Cl)c(Cl)cc3Cl)n2)cc1 920141552 FHTGUGHWWOKJTK-CYBMUJFWSA-N 467.761 6.034 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1c(C)cccc1C 920985405 UUFJEXOPBXWTFZ-QFIPXVFZSA-N 495.645 5.224 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)C[C@@H](C)C3)n1 921249912 LTNOVJHGLSBHIM-NWSLNFPQSA-N 497.576 5.749 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)C2 1779512339 YLHMWHXDNIQEGY-PDDLMNHVSA-N 491.676 5.214 30 20 JKED CCCCc1ccc(-c2ccc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)[C@H](C)S)C3)cc2)cc1 1782184841 HBXFBGXMAZGJDC-LHKSUUPMSA-N 494.701 5.142 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4cccc5ncccc45)cc3)CCC2)c1 1786346522 RWISFJAVYKQNOH-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C)cc(OC)cc3C)CCC2)cc1 1786367415 NFFVFGOSYZFQRS-UHFFFAOYSA-N 450.579 5.043 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4c(F)ccnc4Cl)cc3)CCC2)c1 1786990849 JYMVINWAAXHOIP-UHFFFAOYSA-N 462.912 5.116 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)COc4ccc(Cl)c(Cl)c4)cc3)CCC2)C1 1787725110 FMEJPDLCUWVNNV-UHFFFAOYSA-N 459.373 5.473 30 20 JKED C[C@H](C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1)c1cccc(NC(=O)OC(C)(C)C)c1 1787886719 PFKCMVFSVXLREI-IBGZPJMESA-N 490.604 5.575 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4c(C)snc4s3)cc2)CCC1 1788417333 VIIBEXUOCIBMOV-CQSZACIVSA-N 470.620 5.215 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4[nH]ncc34)cc2)CCC1 1788442800 HWGCRTXQFJZIFW-UHFFFAOYSA-N 472.665 5.362 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CN3CCc4sccc4C3)CCC2)cc1 1789453089 JTYQJKMQTGOYNU-QHCPKHFHSA-N 463.647 5.009 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)CCC2)cc1 1789453633 CTPRZFYYMJMBST-NRFANRHFSA-N 496.533 5.869 30 20 JKED CC(C)n1nccc1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508060 HTOLNQYHAXLNKU-UHFFFAOYSA-N 464.686 5.263 30 20 JKED Cc1ncc(CC(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)s1 1789509814 KKTFDPKPSOLOLY-UHFFFAOYSA-N 467.711 5.179 30 20 JKED O=C(/C=N/O[C@H]1CCCCO1)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1789561408 YLXALQVIBDVCQP-DRQPSCMVSA-N 494.979 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CCC2)cc1 1789622762 VMGHURJJGRMTCP-HSZRJFAPSA-N 487.644 5.162 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c1 1790076348 HATNSMLGDNIPLM-LJQANCHMSA-N 478.552 5.255 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(C)s3)CCC2)cc1 1790519555 NNNHLQXIEHGIFT-HXUWFJFHSA-N 498.649 5.059 30 20 JKED N#CCCC(=O)NC1(c2ccc(NC(=O)c3ccccc3CSc3ccccc3)cc2)CCC1 1790757677 XQCDCSCUVTVXKZ-UHFFFAOYSA-N 469.610 6.030 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)C)cc3F)cc2)CCC1 1790797826 LAEWKYDDXDVGFQ-SFHVURJKSA-N 469.557 5.162 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)C(F)(F)CC=C)cc2)CCC1)NC(=O)OC(C)(C)C 1791300854 GIGVOOVEBTVWFG-FQEVSTJZSA-N 491.579 5.191 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CCC2)cc1 1791587261 JBIXXARJSHXAGH-NRFANRHFSA-N 457.615 5.026 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3[nH]nc4c(Cl)cccc34)CCC2)cc1 1791730332 CBJNONJAKTZVAS-UHFFFAOYSA-N 462.981 5.087 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(OC)cc(C(F)(F)F)c1)c1ccccc1 1800840732 WIAIFQZVDMRLHP-STAYPELNSA-N 498.545 5.163 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)[C@H]1c1cccnc1 1802496546 JODNSTRWILJRHO-QPPBQGQZSA-N 480.052 5.465 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@@H]1c1cccnc1 1802503206 MAWUXTCMJWRUDF-ZEQKJWHPSA-N 470.617 5.250 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1803081723 FOVSBRGPPPTSQL-WIOPSUGQSA-N 485.550 5.117 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)cc2C(F)(F)F)c1 1803857834 ZCTPCURGDMVZSW-GAZPGATBSA-N 473.470 5.037 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 1806066490 CQDCWERAESYOLJ-DEOSSOPVSA-N 450.648 5.153 30 20 JKED CC[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc(C#N)c3Cl)CC2)C1)c1ccccc1 1809018131 XEYDVJRUAUCLIN-JOCHJYFZSA-N 464.009 5.250 30 20 JKED O=C(COc1ccccc1)N1CCCC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)C1 1809179638 VHSIYUFEXIRIKS-UHFFFAOYSA-N 492.619 5.010 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1811057003 PHZPVEAVNQCNAK-UPVQGACJSA-N 488.657 5.517 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CC[C@H](CNC(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)cc12 1811418825 ATWRXPYESGFGMG-IBVKSMDESA-N 497.986 5.030 30 20 JKED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c1Cl 1811419544 ICDULUOTUXLHSF-BVAGGSTKSA-N 484.987 5.117 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1)c1ccccc1 1811673609 BBLXUFXAFAZVLZ-XZWHSSHBSA-N 485.587 5.115 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1811695914 VJMNXNVPWYPCHC-FUFSCUOVSA-N 497.664 5.497 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[C@@H]1c1cccnc1 1812589694 BNBNYZPPBGAJTI-QNXIHNPRSA-N 482.584 5.355 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCc2cc(C)cc(C)c2)[C@@H]1c1cccnc1 1813242748 NZPJMMITMBLFSJ-REUBFRLUSA-N 459.634 5.105 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)[nH]n1 1814443845 DLIZVXLOFGACBP-QFIPXVFZSA-N 477.609 5.057 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1814568979 BVPCAUXHLNQZHY-LJQANCHMSA-N 472.574 5.028 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)ccc2s1 1814738412 BXLVYNJEKYZYEV-HSZRJFAPSA-N 498.612 5.138 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc(F)ccc2Cl)n[nH]1 1815573038 YXIBCWCSSRYTPH-NRFANRHFSA-N 458.965 5.205 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1815654907 ANKJUMXHMMGASE-HSZRJFAPSA-N 478.593 5.441 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815656916 MSAWKTVBGZFQGS-QHCPKHFHSA-N 476.602 5.427 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)[nH]n1 1818117983 JHNBPPWVJIBHHY-IPLHWJFFSA-N 486.956 5.009 30 20 JKED CC1=CC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)CC1 1818805581 NMBFBOGTAGJPNT-IRLDBZIGSA-N 454.691 5.199 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)[nH]n1 1819557078 WFVMHAHGBLPICJ-YUAYGMJFSA-N 468.573 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820219959 AGOWZRDARJGOHE-YLJYHZDGSA-N 451.958 5.009 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2F)n[nH]1 1821286774 FNLGWJZFZIRYCC-HRAATJIYSA-N 499.587 5.414 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)n[nH]2)C1 1821340014 QEJDFKKCICSULR-FQEVSTJZSA-N 491.419 5.776 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccccc2Cl)N(C)C)n[nH]1 1821762795 ANNJFDYDXSRPHJ-RVSNTGDXSA-N 484.044 5.127 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=C/c3c[nH]c4ccc(OC)cc34)sc2C1 1823073856 MEJPBJBOZKRXOH-ZSGQJBBISA-N 490.629 5.027 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823303551 RYGDZTGQBOLFBU-FUHWJXTLSA-N 473.401 5.116 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3cc4ccccc4n3C)CC2)c1 1824042727 VGRXXHPHOBRDET-KPURRNSFSA-N 496.655 5.281 30 20 JKED O=C(C1CCC(F)(F)CC1)N1CCC([C@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824055992 LHKKZRDHKJPTSV-HSZRJFAPSA-N 476.995 5.137 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1825952988 VSHAHTQXKLRFJJ-FNZWTVRRSA-N 489.660 6.060 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1)c1cccs1 1827684663 NCKYHJOWXQLMJO-BYUVYSIJSA-N 476.642 5.298 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)c4ccc(CC#N)cc4)CC3)ccc2s1 1828254023 TZPCBAPGLIMZKJ-RUZDIDTESA-N 486.641 5.218 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)CC2)c1 1828419466 IBNCSQLKLPRNRW-BLFHIAQRSA-N 489.582 5.465 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1828827180 JDVRPPRKPAFKSU-KNQAVFIVSA-N 492.582 5.504 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)c(C)o1 1828904278 UGRSGDMRIWAGFN-XMMPIXPASA-N 456.703 5.181 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)cnc2Cl)CC1)c1ccccc1 1829031627 CKRFJCQOVRIYER-UKILVPOCSA-N 496.026 5.305 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1829622154 ALUBIQHHKQVNMO-HHHXNRCGSA-N 481.640 5.643 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](C)Sc3cccs3)CC2)c1 1829678986 DHVIFVSATUENSN-WZONZLPQSA-N 497.686 5.042 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(Cl)s3)CC2)c1Cl 1829688020 OBKMBUQMKCRNES-FQEVSTJZSA-N 490.456 5.403 30 20 JKED COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)ccc1C 1829689845 SZUZCTNLNKDZEX-QHCPKHFHSA-N 480.008 5.076 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)ccc2n1 1830629385 XVXIECWPSOOQCY-MUUNZHRXSA-N 480.612 5.156 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)cc1 1830632819 ZUSASWMTNDBHJG-RUZDIDTESA-N 455.558 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)c1 1830764925 AFVWWVOBPIDBOW-LVXARBLLSA-N 475.658 5.281 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C)cc(C#N)c2)CC1 1830770982 OJBJXSZETPSBBQ-QHCPKHFHSA-N 480.008 5.076 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1831836116 CPMQUDQRHKYLHW-PGEBGMQZSA-N 477.114 5.552 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(Br)cc(Cl)c3[nH]2)CC1 1831859996 HTJMGJMYSHWZAV-HXUWFJFHSA-N 492.845 5.393 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 1832056783 TVRXXGLYVQXDPH-PKTNWEFCSA-N 477.693 5.039 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cnc4[nH]ccc4c3)CC2)c1 1832633868 MWESFDSQDOMYIE-IDISGSTGSA-N 497.643 5.056 30 20 JKED COc1cccc(/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832634990 YYTXKPIFYDVHPB-FXKPEZSLSA-N 485.628 5.269 30 20 JKED CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1)c1ccccc1 1832635174 WGZFNYUFRBIVPV-FAQZDJIUSA-N 471.645 5.741 30 20 JKED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2)c1ccccc1 1844336838 OQBLYQKUUXPHAW-DEOSSOPVSA-N 491.591 5.442 30 20 JKED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)c3ccccc3CSc3ccccc3)C2)ccc1F 1845475036 QXPLUBJOXFEFNA-UHFFFAOYSA-N 499.611 5.049 30 20 JKED C=C(C(=O)N1CC2(CCCN2C(=O)c2ccc(-c3cccc(Br)c3)cc2)C1)C(F)(F)F 1845561382 PLGKLIBFQZKUNF-UHFFFAOYSA-N 493.323 5.052 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)c1 1846833223 WZGCMGIOFWRSDW-CQSZACIVSA-N 476.791 5.405 30 20 JKED CCc1ccccc1N/C(S)=C(/C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(Cc2ccccc2)cc1 10174255 HYRSXQJUHMZEFR-UHFFFAOYSA-O 496.612 6.086 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)c1C 10832588 PKUVLFNAICNGDK-UHFFFAOYSA-O 499.056 5.707 30 20 JKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(Cc2ccccc2)cc1 11166515 PFOPXKVBHXCBOV-UHFFFAOYSA-O 495.624 5.695 30 20 JKED Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2C)c1 16063962 CAPGYJQEZDQFMX-OAHLLOKOSA-N 451.621 5.112 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2ccc(C(F)(F)F)cn2)n(Cc2ccc(F)cc2)c1C 21739401 MHKGQPGEHRDEIP-UHFFFAOYSA-N 462.472 5.309 30 20 JKED N#CC1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)CCCCC1 22122260 QHTHNSSBIIVLAX-UHFFFAOYSA-N 466.010 5.082 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1)c1ccccc1Br 22693539 PTUDLHHNDGRMFQ-UHFFFAOYSA-O 496.328 5.512 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CC2)nnc1-c1ccc(Br)cc1 24015611 QSAHLRFVVOZXIM-NRFANRHFSA-N 483.435 5.253 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccc(C)c2)n1Cc1ccco1 26489912 SGWXIJIUKNYOEC-IBGZPJMESA-N 478.643 5.652 30 20 JKED C=C(C)CN/C(S)=C(/C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1ccc(C(C)(C)C)cc1 27310932 PYFKMZBIVIDXAM-UHFFFAOYSA-O 466.671 5.361 30 20 JKED COc1ccc(CN(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OC(F)F 32170163 DKHKJSATAMGILJ-UHFFFAOYSA-N 452.457 5.019 30 20 JKED C=CCn1c(SCc2cccc(OCC(F)(F)F)c2)nnc1[C@H]1COc2ccccc2O1 59832588 XSCLFPDZNGFWGN-LJQANCHMSA-N 463.481 5.210 30 20 JKED N#C[C@@H](C(=O)CSc1nnc(NCc2ccc(F)cc2)s1)c1nc(-c2ccccc2)cs1 69497589 ZBNXSPDCCNHKCH-KRWDZBQOSA-N 481.603 5.381 30 20 JKED C=CCN(C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1nc2c(s1)CCCC2 107660114 SHXOSAQXJQEBAO-UHFFFAOYSA-N 490.025 6.269 30 20 JKED CC(C)[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)n1nnc(-c2ccccc2)n1 195652837 YJNDXNAIGNFOGS-AZUAARDMSA-N 462.966 5.191 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2Cl)c1 303128086 BJBJAKDABCSFKE-UHFFFAOYSA-N 464.934 5.473 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)c4occc4COc4cccc(C#N)c4)CC3)c2c1 303150351 NNPDIZLTDDXBAY-UHFFFAOYSA-N 455.514 5.240 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccccc1 303398238 ZLMCZUHKCVZKIA-UHFFFAOYSA-N 468.582 5.553 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)s2)c(C(F)(F)F)c1 487287716 DEWRMFPPQIAORW-UHFFFAOYSA-N 471.420 5.266 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)s2)c(C(F)(F)F)c1 487391972 YJGAHOPWYPHHBI-SFHVURJKSA-N 488.516 5.066 30 20 JKED Cn1ccnc1SCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 488011774 VYXWESHUZYDNHM-UHFFFAOYSA-N 460.534 5.159 30 20 JKED C=CCN(C(=O)c1ccc(OCCC(C)C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491052534 RFJJJVHOLOVRQJ-UHFFFAOYSA-N 484.643 5.471 30 20 JKED Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)s1 498360642 SFVPGTIXACTWJZ-UHFFFAOYSA-N 474.007 5.026 30 20 JKED Cc1oc(-c2ccco2)nc1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 503093865 ODBWDBZQAQSDHR-UHFFFAOYSA-N 472.448 5.362 30 20 JKED COc1ccc(C2(NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CCCC2)cc1 503283364 LRNZBXKXNQJUSD-UHFFFAOYSA-N 455.558 5.931 30 20 JKED N#C[C@H](C(=O)c1occc1CN1C(=O)Cc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 503549342 CMJWHKNLNXTMHR-LJQANCHMSA-N 473.941 5.636 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 505678728 SONBVTCMLDHEEJ-FQEVSTJZSA-N 461.543 5.054 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 509725221 SDTCAMGMVFVQDB-UFSZVFTQSA-N 455.558 5.361 30 20 JKED CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509903179 ALSBQRVRUFTKPY-UHFFFAOYSA-N 469.463 5.894 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCCc3ccc(Br)s3)c2)cc1 509921441 ZXJKPCFWXHQVNW-UHFFFAOYSA-N 470.392 5.520 30 20 JKED N#Cc1cccc(OC2CCN(c3ccc4nnc(-c5cc(Cl)cc(Cl)c5)n4n3)CC2)c1 511398863 QDASHLOMNMLYOX-UHFFFAOYSA-N 465.344 5.018 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 513677553 YIMSGIZYJWUZIB-AWEZNQCLSA-N 450.520 5.028 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 514547104 BYTSNELISMLYBQ-HSZRJFAPSA-N 456.546 5.286 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccc(COc3ccccc3)cc2)cc1 516749223 VSUZCEQGEWZLHW-UHFFFAOYSA-N 477.520 5.184 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3cccc(Cl)c3)CC2)c1 517079092 GLDSRGFVMGMIEP-XZZVZQAVSA-N 492.019 5.055 30 20 JKED Cc1ccc(Cc2cnc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)s2)cc1C 517412361 GDHXMRAXGSUTCI-UHFFFAOYSA-N 487.585 5.326 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](c1ccccc1)c1ccccc1OC 518116903 CFANPASDCDHICN-DEOSSOPVSA-N 495.373 5.013 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cn2)c1 519052914 OXFDRAIWFARSPN-UHFFFAOYSA-N 466.497 5.868 30 20 JKED C=CCCO[C@@H](C)C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 519999580 DTDWPZVDKKANGE-HOCLYGCPSA-N 455.407 5.610 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 520360941 XAGRJDIIHGQWTA-UHFFFAOYSA-N 485.609 5.350 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c([N+](=O)[O-])cc1OC(F)F 520610750 ULMWJRHZEVUHSX-UHFFFAOYSA-N 455.373 5.121 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 520856832 TYBVFVINFKNOIU-IFXJQAMLSA-N 450.391 5.851 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)cc1 521208302 LQCIHKFTPSEPTR-OAQYLSRUSA-N 459.615 6.358 30 20 JKED C[C@@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 521254485 UAEGRXPJTFWLHO-VIFPVBQESA-N 454.317 5.161 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1 523277052 NSGQBPGSBXIHII-UHFFFAOYSA-N 465.465 5.655 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2I)cc1Cl 523378868 IGVAYJNOUMTJIL-SFHVURJKSA-N 490.703 5.991 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cccc(COCc3ccccc3)c2)cc1 523521381 JZDGCPUASIJAGY-UHFFFAOYSA-N 493.582 6.326 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCCN(C(=O)c4ccsc4)CC3)cc2Cl)c1 524437947 HLZTUGJMQNNYIO-UHFFFAOYSA-N 495.004 5.232 30 20 JKED O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 588954216 VHMUFXSGWLASON-UWVGGRQHSA-N 476.299 5.350 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(COc4ccc(C#N)cc4)o3)n2)cc1 590388727 PQVZGKULSCKDIA-NRFANRHFSA-N 455.495 5.352 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cc2F)c1 590628580 ANSGGXYYCBVOQM-UHFFFAOYSA-N 473.504 5.109 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCCN(c4nc5ccccc5s4)C3)s2)cc1 603674400 YWQBJZPIMLIOQD-QGZVFWFLSA-N 492.655 5.167 30 20 JKED CC(C)(C)c1ccc(-c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)c(Cl)c2)cc1 603739564 DEXHPXOKQNHMTO-UHFFFAOYSA-N 481.017 5.730 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)s2)cc1 603897527 MQILIVPXDBYCNA-UHFFFAOYSA-N 461.465 5.582 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 604147280 VAGRFYUXXUBFAU-QFIPXVFZSA-N 460.509 5.035 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)cn2)cc1 608840550 LHHASWYCGITYFE-IBGZPJMESA-N 484.491 5.346 30 20 JKED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(C(F)(F)F)c1 608924136 XMCRNWPUCRSQPX-QFIPXVFZSA-N 496.489 5.606 30 20 JKED CCOc1c(Cl)cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1OC 609028710 NSUQTPIMPXESPQ-QFIPXVFZSA-N 450.922 5.321 30 20 JKED CN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[C@H]1CCCc2ccccc21 609086793 YVJJIZADHLCLGA-DEOSSOPVSA-N 473.960 5.265 30 20 JKED C[C@@H](c1cccs1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609087380 LPZYFFUDDTWHBG-HNNXBMFYSA-N 453.951 5.010 30 20 JKED N#C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1ccc(OCc2ccccc2)cc1 609174004 DLRLLZXNHOFHLZ-JOCHJYFZSA-N 494.016 5.214 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 609398343 MLCDSZHZFFZUNE-AWEZNQCLSA-N 469.408 5.772 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 615485842 XDXULJVHPRQPPX-UHFFFAOYSA-N 459.546 5.566 30 20 JKED O=C(Nc1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(O)c1)c1cc(F)cc(F)c1 619028971 YHPTURASTQRVQI-RYUDHWBXSA-N 496.354 5.126 30 20 JKED Cc1c(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 622477453 AGOGBYIDQCRMHZ-QGZVFWFLSA-N 474.380 5.216 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1cc(-c2ccc(OC)cc2)no1 676461707 GPIWJALZSQMJPZ-UHFFFAOYSA-N 452.511 5.138 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCC2=CCCCC2)cn1 726116401 DPXZMCYXSQHEKZ-QHCPKHFHSA-N 479.650 5.371 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)Nc1ccccc1Oc1ccccc1 726319536 KAMBPFBJPYKNBU-HXUWFJFHSA-N 497.532 5.221 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 726320089 RZIPVNYMXJNRJV-HXUWFJFHSA-N 485.531 5.844 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C#N)c(Cl)c1 726409469 SRZONYPQDAQLHY-SFHVURJKSA-N 461.374 5.154 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 726754620 OJQFBNXPPQSSPA-UHFFFAOYSA-N 453.354 5.866 30 20 JKED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 726990898 VOYLQSFZABLFTO-UHFFFAOYSA-N 471.325 5.061 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C\C(=O)c2sc(-c3ccccc3)nc2C)cs1 727781705 VTPOVILMXLTZDY-RAXLEYEMSA-N 463.559 6.295 30 20 JKED CCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 728052806 MYCMNRPKPJJAFC-UHFFFAOYSA-N 490.991 5.323 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)c1 728182566 YNTPJTPZRMUGHH-FQEVSTJZSA-N 470.598 5.816 30 20 JKED N#C[C@@H](C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2Cl)cs1 728764689 DKRBHKFMBRZZKA-JKSUJKDBSA-N 469.315 7.029 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCCCC#N)C2=O)c1 728777038 IGWAKZQLMVSZIP-FQEVSTJZSA-N 470.982 5.003 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2scnc2C)cc1 729144545 DFKDEMKQFBRCJB-NRFANRHFSA-N 494.642 5.183 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3scnc3C)C2=O)cc1 729146511 RZTQHWJGVAREOU-FQEVSTJZSA-N 480.615 5.011 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCc3c(C)noc3C)C2=O)c1 730441578 IAFUSNXZFLJYSS-DEOSSOPVSA-N 490.629 5.420 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Oc1c(Br)cc(C#N)cc1OCC)O[C@H](C)C2 730468751 ZOPKOXZXNBABDG-RPVQJOFSSA-N 486.362 5.151 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C)cc1 730495210 LBYHNLQONINRCU-IBGZPJMESA-N 493.601 5.307 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2cocn2)cc1 730719735 JFNZNLCPZSZKOZ-HXUWFJFHSA-N 468.966 5.105 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(Cc2cocn2)C1=O 730726307 DFZHCOXJDCENTN-QFIPXVFZSA-N 495.004 5.286 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc3c(c2)CCC3)s1 730727745 UVSACTJMGHXMIJ-IERDGZPVSA-N 491.642 5.057 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730944427 WMLDCDWCKUIKIC-SBUREZEXSA-N 472.570 5.006 30 20 JKED CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccc(OCc4occc4C(=O)O)cc3)c(=O)oc2c1 730949068 QYDYXNCGYFASIG-KPKJPENVSA-N 487.508 5.406 30 20 JKED O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccccc1I 730949365 UQCOOILMRXTTBX-JXMROGBWSA-N 474.250 5.058 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 731068950 KEGRRFORIZCLHL-LBPRGKRZSA-N 462.358 5.522 30 20 JKED CC(C)(C)OCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731304490 QRRVZIDDFWPJHU-QHCPKHFHSA-N 491.613 5.321 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc(F)ccc2F)cc1 731306156 SGCMWNZBUICUCF-QFIPXVFZSA-N 481.524 5.139 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2cccs2)cc1 731306601 WJCIKBKBXVSAAY-HTAPYJJXSA-N 479.627 5.354 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731312495 MFFTWQFJBFWYPC-OAQYLSRUSA-N 499.514 5.582 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 731407013 QTMNALUDCJJEMT-IBGZPJMESA-N 478.662 5.102 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cc3ccccc3[nH]2)C1=O)NC1CC1 746696159 KFIRZQZUNCFJJT-HXUWFJFHSA-N 487.412 5.275 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCOC(C)(C)C)cc1 746697963 QSMMHZRVHMBCMI-OAQYLSRUSA-N 471.598 5.164 30 20 JKED COc1cc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)ccc1SC 747615066 RNOUPZATBNLAHR-HWKANZROSA-N 458.171 5.544 30 20 JKED Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2ccc(C)cc2)cc1 748408868 OPMLTUBDZCLPTK-SANMLTNESA-N 475.566 5.162 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 750691848 UVGRJWJETRHYME-BJKOFHAPSA-N 490.401 6.482 30 20 JKED COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 767888340 SBTQCDWFASPEID-YDZHTSKRSA-N 489.553 5.691 30 20 JKED C#Cc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)c1 819389130 IAGCXSDVNJMAMN-UHFFFAOYSA-N 452.482 5.252 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N([C@H](C)c2ccccn2)C1=O 837424281 REJZVYYEBZBKRH-DVECYGJZSA-N 488.613 5.429 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N([C@@H](C)c3ccccn3)C2=O)cc1 837885231 YQOISMBWSNWZHC-JTSKRJEESA-N 479.005 5.765 30 20 JKED N#Cc1ccccc1Sc1ccc(-c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1 856573038 HMZUCQAWBJWIGG-OAQYLSRUSA-N 458.587 5.656 30 20 JKED C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 857289148 VZOZGTAURCCLHC-LURJTMIESA-N 467.341 5.463 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 857835259 MVACDBHAIKUUPN-IBGZPJMESA-N 487.581 5.534 30 20 JKED CC(C)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)c1ccc(C#N)cc1 914510409 JQSASWRAQRAUCZ-UHFFFAOYSA-N 494.016 5.266 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2sccc2C)c1 914544150 VBNRIEZUYWBIEX-OAQYLSRUSA-N 495.626 5.234 30 20 JKED N#CC(CCOC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)(c1ccccc1)c1ccccc1 914885263 KHWNKAJGNJFMQV-MSUUIHNZSA-N 478.592 5.382 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2s1 915099180 KMLUUWRMEZMSFS-RXVVDRJESA-N 459.958 5.687 30 20 JKED COc1ccc(-c2noc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)n2)cc1 915103521 WKWAASJMOFDQIA-KRWDZBQOSA-N 499.379 5.985 30 20 JKED CCOc1cc(/C=C/C(=O)c2sccc2Br)ccc1OCC(=O)Nc1ccccc1 915112663 HCTSEUVIRGSEKN-CSKARUKUSA-N 486.387 5.823 30 20 JKED COc1ccc(N(C(C)=O)c2nc(/C=C3/SC(=Nc4c(C)cccc4C)NC3=O)cs2)cc1 915848998 JNJLITRHPISYPD-UDWIEESQSA-N 478.599 5.345 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C\C(=O)c2cccc(C)c2)cc1OC 916153263 KGAABNVEFGEHKK-XFFZJAGNSA-N 465.933 5.579 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C[C@H]1CCCO1 916206952 VYPDVKKTMKLVBZ-QRWLVFNGSA-N 493.963 5.066 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2)C1=O)Nc1ccccc1F 916209418 KYHRZQJYSQSHFJ-OAQYLSRUSA-N 451.498 5.125 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1Cl 916209550 NCOKPMQCELVAOJ-MRXNPFEDSA-N 486.808 5.254 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1CCc1ccccn1 916217465 NOYKALHRSLULEX-JOCHJYFZSA-N 494.567 5.180 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccco1 916218010 ZVJAHVVAMHUHDM-HXUWFJFHSA-N 469.513 5.335 30 20 JKED N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)c1nc(N)nc(Nc2ccccc2)n1 916881762 ZAIXQRRPGDSSDO-ANGAQGJPSA-N 472.961 5.469 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 916888776 YLRMAXWNVTYOLD-FQEVSTJZSA-N 483.471 5.354 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC 916903774 STDMJDIOGUPZIA-JOCHJYFZSA-N 465.557 5.204 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1OC 916906553 DKJSRDCMDQQXCH-IBGZPJMESA-N 499.548 5.581 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)s1 916995804 IHRARASQMKBVIT-AWEZNQCLSA-N 490.462 7.029 30 20 JKED N#Cc1ccc(CSCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 916996570 LVNDJOIIFSYKEW-QGZVFWFLSA-N 458.395 6.098 30 20 JKED COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 917628819 QKXYMGDNJHDWPJ-UHFFFAOYSA-N 467.481 5.243 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cc(C)cc1Cl 917689646 AWGPQPFMSJOVBY-IBGZPJMESA-N 477.989 5.093 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc3ccccc3c2)n1 917701090 RHBIBWZIOMILRQ-DEOSSOPVSA-N 499.571 5.238 30 20 JKED CC(C)CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccccc1C#N 917703913 DKTYWJUXJAZSMG-HXUWFJFHSA-N 499.980 5.126 30 20 JKED CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1 918155233 FILWBURAGFNQKH-FPYGCLRLSA-N 482.172 5.343 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1=S 918735747 QGQHLJDEGLTVET-OKILXGFUSA-N 480.478 5.296 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 920110311 OJOQHQRWQZWKPB-HXUWFJFHSA-N 494.389 5.727 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](OCC)C2)ccc1Cl 920225531 BRXRHGWQLMYQDI-GOSISDBHSA-N 497.444 5.016 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C3CC3)[C@H](C)c3ccc(Cl)cc3)nc12 920305141 IBTHJYZZYNOKGT-MRXNPFEDSA-N 466.010 5.203 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1c(C)noc1C 920353679 PHGKQCZACHLWJW-QFIPXVFZSA-N 497.020 5.722 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1Cc1cc(C)on1 920356479 PMGAHQUYHKIZSQ-NRFANRHFSA-N 498.992 5.114 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 920789730 AKHVXRCSPCTOEA-AWEZNQCLSA-N 494.775 5.183 30 20 JKED C[C@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 925496714 SJZJCZNQGCLAFR-INIZCTEOSA-N 458.580 5.187 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785880724 PPIDBYWJNWVHCO-UHFFFAOYSA-N 490.563 5.512 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)cc2)CCC1 1786069081 GRAIXCWMFDFGLL-HSZRJFAPSA-N 498.023 5.616 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)CCc3c[nH]c4ncccc34)CCC2)cc1 1788648471 JAPNEWDIQGIWSV-ACCUITESSA-N 498.608 5.130 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nccnc5c4)cc3)CCC2)c1 1789065493 SWEMEOMEZQPILO-LJQANCHMSA-N 475.552 5.318 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)CCC2)cc1 1789450080 ZXVNMSQXVNGWQM-ZCYQVOJMSA-N 457.574 5.082 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc4nn[nH]c34)CCC2)cc1 1789456282 QUNJKQQUBYVUNO-LJQANCHMSA-N 463.969 5.127 30 20 JKED Cc1nc2ccccn2c1C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789508194 VVEOCOINHBFPKV-UHFFFAOYSA-N 486.692 5.442 30 20 JKED CCSc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CCC1 1790707265 GMZNRWUMPZXBLX-UHFFFAOYSA-N 470.598 5.321 30 20 JKED Cn1c(C(=O)NC2(c3ccc(NC(=O)c4ccc(CC#N)cc4)cc3)CCC2)cc2ccccc21 1790707885 VJLYIDSDTQDQRL-UHFFFAOYSA-N 462.553 5.306 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)Cc4ccccn4)CCC3)cc2)c1 1792126934 OLCRPCWAIHNEMD-NHCUHLMSSA-N 466.585 5.335 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1792173524 LUFDMRDRGXEQGD-HNNXBMFYSA-N 479.474 5.393 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCC3)cc2)CCC1 1792211179 FWIWWVYCKCMVAN-XMMPIXPASA-N 481.637 5.008 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cc(Br)ccc2c1 1797983800 ZPCZQBUOFUWHPY-ZHHJKBAOSA-N 455.396 5.066 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1)C2 1798339956 IOAXPIFHDKPJFS-NDBXHCKUSA-N 495.664 5.074 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C(F)(F)F)c1F)C1CCC(C(F)(F)F)CC1 1800409775 DCTPMBTVWIFDBH-VXSNREPFSA-N 494.451 5.465 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2 1800789912 DUSQYXIVYVRTBF-GEALJGNFSA-N 470.400 5.495 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3sccc3s2)[C@H]1c1cccnc1 1803088843 PREYEMBXQQXERZ-XXBNENTESA-N 465.644 5.446 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCCC(F)(F)F)[C@@H]1c1cccnc1)c1ccccc1 1804050167 UGMCEXUDUNLFKC-LSQMVHIFSA-N 485.550 5.017 30 20 JKED N#Cc1cc(C(=O)N2CC[C@@H](CNC(=O)CCC3CCCC3)[C@@H]2c2cccnc2)cc(C(F)(F)F)c1 1806207157 QFYOBGMMNAKKAB-OFVILXPXSA-N 498.549 5.262 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc3sccc3[nH]2)[C@@H]1c1cccnc1)c1ccccc1 1810019398 IREJENQDAJYKML-WCYRKSIYSA-N 496.636 5.141 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@H]1c1cccnc1 1810172074 NANBYAKPRKODHK-VYZJJFFHSA-N 498.671 5.234 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1810174130 LSMANPUODXEVMK-MIZPHKNDSA-N 472.416 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)[C@H]1c1cccnc1 1810492215 JWTULGCVHOJHNL-OZXSUGGESA-N 465.613 5.160 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1c1cccnc1 1810717878 DZOJIQYWLAXJIZ-DFCKQENNSA-N 489.641 5.148 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc3ccoc3c2)[C@H]1c1cccnc1 1812147234 AOCZCUKVYQUJNM-RPLLCQBOSA-N 487.676 5.199 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1812786175 GFIMUADKAININF-JXMKKRHCSA-N 493.673 5.195 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2OC)[C@H]1c1cccnc1 1813915662 CRJIDRQSZRQLLK-SIKLNZKXSA-N 470.013 5.056 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3c(F)ccc(F)c3F)n[nH]2)c1 1815496144 KSSXIBDTMUGXFW-OYHNWAKOSA-N 495.505 5.003 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnccc3C(F)(F)F)n[nH]2)c1 1816425711 DLLAZHRARJCZCO-YCRPNKLZSA-N 496.493 5.070 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)ccc1F 1816827770 UHODIMCPTBJOCF-AREMUKBSSA-N 495.558 5.051 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)CC3)n[nH]1 1817941369 XPBFLESDUDLXEG-QFIPXVFZSA-N 462.594 5.013 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)noc2-c2ccc(Br)cc2)n[nH]1 1818280276 IMICLTIYDBWINX-SFHVURJKSA-N 498.381 5.018 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3nc(C)sc23)n[nH]1 1818536151 CBCRDRHIEFDWFM-UTKZUKDTSA-N 463.607 5.402 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CC=C(C)CC2)n[nH]1)NC(=O)OC(C)(C)C 1818810505 VJGWOXZTRRXWAQ-JAXLGGSGSA-N 499.656 5.008 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(F)cccc3Cl)n[nH]2)c1 1820430757 NJOYDYQYSOFHHY-HXUWFJFHSA-N 465.916 5.002 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2)c1 1820485004 ZAHNFOAIUDQUHC-FQEVSTJZSA-N 468.344 5.208 30 20 JKED COc1ccc(C2(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(C)cc(C#N)c4)[nH]n3)CCC2)cc1 1820850399 XVRYOXJPWQQYTN-VWLOTQADSA-N 497.599 5.026 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(F)cc(Cl)cc2Cl)n[nH]1 1821204455 OICMDKUCYXHIRF-SFHVURJKSA-N 465.356 5.355 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)[nH]n2)c(Cl)c1 1821274262 AOFNXYMJGKUGGK-QTEQDKRBSA-N 491.954 5.183 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc3ccc(Cl)cn3c2C)n[nH]1 1821564616 RBZZXPHEFMZIDE-QUCCMNQESA-N 481.000 5.094 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1822400421 KXQRAPKJOMUYPQ-QHCPKHFHSA-N 453.546 5.211 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(C)nc2C)n[nH]1 1822647277 UOKKFIWFAGWQQZ-JOCHJYFZSA-N 451.615 5.039 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)[nH]n2)cc1C#N 1823291457 SLFBJBYDFWQYSF-PZJWPPBQSA-N 499.562 5.200 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1F 1823905790 QEHGZIKAVMHGQO-NLFFAJNJSA-N 461.581 5.308 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1824387942 RVVJGOXTJPXERB-MUHIBDNSSA-N 496.698 5.288 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1824509534 BELRSFLPJGMHGS-NLFFAJNJSA-N 489.616 5.252 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1824509698 FKNOJHDOQPQSJD-AMGIVPHBSA-N 476.617 5.303 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c(Cl)c1 1827684420 AVPCFZBAEYGJMA-DGSRBQDKSA-N 485.049 5.382 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3=NO[C@H](c4ccccc4)C3)CC2)c1 1828393338 WNGUICKLJICCBI-MHWRTBLVSA-N 498.627 5.065 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3c2)CC1 1828906356 HUOBELUISIXTFR-MHZLTWQESA-N 489.736 5.519 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1)c1ccccc1 1829029309 AWJZNNHFOTUDLS-DSITVLBTSA-N 470.604 5.239 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1829068790 QORZYMAAPSCNGV-NRFANRHFSA-N 471.045 5.442 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1829690030 YVBUJHCQUSVWRQ-RUZDIDTESA-N 494.035 5.548 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cc4cccc(F)c4)cc3)CC2)c1 1829781284 JPFPEDRDDOHZSY-NDEPHWFRSA-N 498.602 5.163 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(C)(C)Oc2ccc3ccccc3c2)CC1 1830171839 BPSXYJCASMRWAB-SANMLTNESA-N 460.618 5.030 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)CC1 1830633546 NPLPPQADZKHCHW-LNBJVWSJSA-N 463.666 5.592 30 20 JKED C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1830725011 XFKKVVBAPSUCEZ-IBVKSMDESA-N 478.036 5.639 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4ccsc4[nH]3)CC2)c1 1830888164 MJVKIZDTYKTKIP-UUOWRZLLSA-N 474.630 5.404 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1)c1ccc(O)cc1 1830992292 YQLZXSJLQYHSCO-LBNVMWSVSA-N 498.623 5.569 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc4c(O)cccc34)CC2)c1 1831021932 JQCKWKJHDIULQC-IBVKSMDESA-N 496.611 5.115 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 1831843483 KPQUAROEYQDSRL-CVDCTZTESA-N 452.620 5.031 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1832092273 NMKTYDSQWOFTLP-BJKOFHAPSA-N 491.598 5.421 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC(=O)OC(C)(C)C)CC2)c1 1832629841 WIMUBALJMGDYNM-OFVILXPXSA-N 495.664 5.059 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c1 1832634028 HLPUGUNDUFXGJY-LAUBAEHRSA-N 470.038 5.576 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Cl)cccc2OC)CC1 1832663967 RYWTWNZCYVKYSC-JOCHJYFZSA-N 459.030 5.350 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1)C(F)(F)F 1832799994 JABILUJNYQGSPU-KZNAEPCWSA-N 468.482 5.093 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1832923631 ZDXASSAXAFBORA-XMMPIXPASA-N 489.701 5.022 30 20 JKED Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(C#Cc4ccccc4)cc2)C3)c(C(F)(F)F)o1 1842458984 RHXZABREVOCVPG-UHFFFAOYSA-N 492.497 5.137 30 20 JKED C=C(C(=O)N1CCCC12CN(C(=O)c1ccc(-c3cc(F)ccc3OC)cc1Cl)C2)C(F)(F)F 1846015069 GXRNSXRONFXKRM-UHFFFAOYSA-N 496.888 5.090 30 20 JKED Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)c2ccccc12 1846879610 PQUANBGBQPMTSS-UHFFFAOYSA-N 495.623 5.257 30 20 JKED Cc1cccc(-n2c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccc(Cl)cc2)c1 8931377 RGTIYNNRPPINIX-QHCPKHFHSA-N 453.999 5.043 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCc2ccc(C#N)cc2F)cc1Cl 10617550 KHGYOQDKSCJTSV-RGVLZGJSSA-N 483.977 6.098 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1 22175312 MHUFZPUWGFQIRH-JOCHJYFZSA-N 496.640 5.682 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc3c(c2)CCCC3)s1 22693400 IDIGWVBXNFOEJY-UHFFFAOYSA-O 457.644 6.427 30 20 JKED CCOc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(CC)CC)cc2)cc1 22731374 LIJQAHJCOZEUAN-UHFFFAOYSA-O 483.604 6.606 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2sccc2C)c1 23190662 HYMYWSVVXVDWFD-UHFFFAOYSA-N 475.035 5.363 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@H]1COc2ccccc2O1 23592306 DWICFFHZEXGQMS-AUUYWEPGSA-N 490.507 5.115 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nnc1[C@H]1COc2ccccc2O1 32557091 MFSZQEISXNWGEQ-IFXJQAMLSA-N 490.507 5.115 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1Br 32786531 ARUUDSBZNPEXIP-MRXNPFEDSA-N 471.424 5.245 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 59326904 VBEZIDMIDSPUEE-UHFFFAOYSA-N 463.940 5.090 30 20 JKED C=CCc1cc(/C=C(/Cl)c2nc(O)c3c(-c4cccs4)csc3n2)cc(OC)c1O 60217558 WDBMEIICXWETNK-OQLLNIDSSA-N 456.976 6.305 30 20 JKED CN(Cc1ccccc1Br)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 71944545 AFMVPGZSQHCEGA-UHFFFAOYSA-N 464.363 5.758 30 20 JKED CCOc1ccc(-c2nc(CC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)cc1 72096692 BGHSLOKAXZJCFE-SANMLTNESA-N 483.593 5.711 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2OC)c1 104715747 DVNMOINSNNWGQX-UHFFFAOYSA-N 485.005 5.002 30 20 JKED C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1 195664665 OCXFWCOTGRNZDX-LBPRGKRZSA-N 475.364 5.462 30 20 JKED N#CCCCOc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)c1 207587216 XFZKEYKRRPQMPU-AQTBWJFISA-N 459.358 5.863 30 20 JKED COc1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)ccc1OCC#N 209131759 DZWAKZHIUYGNOM-XNTDXEJSSA-N 461.330 5.092 30 20 JKED C=CCn1c(S[C@@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccccc1F 219005854 BKZJTIMZRFYBKC-RBBKRZOGSA-N 466.582 5.027 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(Cl)cc1 254396518 WQIFNMMYMZFXOE-NRFANRHFSA-N 467.978 5.100 30 20 JKED Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 303177426 KFJDXJPBOOBVTK-UHFFFAOYSA-N 474.923 5.985 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSc3nncn3-c3cccc(Cl)c3)cc2)c1 303201534 OHZIDFIYPCLDTQ-UHFFFAOYSA-N 475.961 5.102 30 20 JKED C=CCn1c(SCc2noc(-c3ccccc3O)n2)nc2scc(-c3ccccc3)c2c1=O 436778957 TWBCVIZPDNKTML-UHFFFAOYSA-N 474.567 5.359 30 20 JKED Cc1nccn1-c1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1F 481568451 IVKAAHADQURGMT-UHFFFAOYSA-N 473.483 5.231 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc2F)c1 481665099 YZQLMPMZVKMPGS-DQEYMECFSA-N 463.484 5.457 30 20 JKED CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 498003206 SCYPCBMCTTZAQE-IEBWSBKVSA-N 468.985 5.553 30 20 JKED N#Cc1c(NC(=O)c2oc3ccccc3c2CSc2ncccn2)sc2c1CCCCCC2 499783680 ZQLQHFLEMDHELA-UHFFFAOYSA-N 474.611 6.360 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccc(-c2ccccc2F)s1)C(C)C 501000956 QMXYJCJUGRGVCF-UHFFFAOYSA-N 452.599 5.651 30 20 JKED COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N(CCC#N)Cc2ccco2)s1 502529251 USHSOYPPNHSLOI-UHFFFAOYSA-N 472.570 5.640 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)s2)cc1 503259175 JGZSKTFMYQJDHR-HXUWFJFHSA-N 458.572 5.008 30 20 JKED CC(C)(CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1F 504724828 WBNNSYLWWGPZCS-UHFFFAOYSA-N 461.562 5.136 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 508991295 MCHKEUVXVGDKPR-UHFFFAOYSA-N 460.493 5.757 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 509905758 ROSQOLJHLQWFRY-NDEPHWFRSA-N 469.585 6.489 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1Cl 510003686 ADDYWVKPHJSYEL-AHWVRZQESA-N 474.992 5.190 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccc1OCc1ccncc1 510692711 HHFFBCKBVFZPEH-HXUWFJFHSA-N 494.551 6.216 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511340411 XWMJXADDOCVKCX-SFHVURJKSA-N 456.571 6.166 30 20 JKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)o1 511532898 OIQZPEOZIQYKSL-AFMDSPMNSA-N 483.568 5.178 30 20 JKED N#CC1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)CCCCC1 513007224 LGAVJSKXNZSWOH-UHFFFAOYSA-N 496.814 5.316 30 20 JKED COc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)sc2C)cc1 513652593 AYMSKHCYVGFWQL-SFHVURJKSA-N 475.595 5.811 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 513929467 HQJLNZIRPODFAO-UHFFFAOYSA-N 475.570 5.161 30 20 JKED CCn1c([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nc2ccccc21 513982612 GFXKNFWTVFPLBT-GJZUVCINSA-N 484.003 6.734 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc5ccccc5n4C(F)F)cc3)o2)cc1 515539203 OYPYHVJGCZXFAD-IBGZPJMESA-N 469.451 5.947 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 516270326 RVSOYCJKSSUJAE-NRFANRHFSA-N 474.549 5.429 30 20 JKED CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)oc12 516290332 VABLBJSGUSRYBB-KRWDZBQOSA-N 469.497 5.311 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(CC)cc2)n1 516794503 FAXKKNCPGUFSEM-HXUWFJFHSA-N 470.554 5.225 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(OCc2cccnc2)cc1 518256590 HHRWBDGBDVPRBE-HXUWFJFHSA-N 464.525 6.207 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1Cl 519058553 IICXYPGIJOYYJH-ISKFKSNPSA-N 458.949 5.091 30 20 JKED CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc(C3CC3)nc21 521498822 MHOMESBVBBKBPP-AREMUKBSSA-N 465.557 5.463 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)cc2)c1 521790729 WYFZDPVZIAVCJH-UHFFFAOYSA-N 454.555 5.815 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3ccccc3CN3CCCC3=O)cc2Cl)c1 524442256 ZDCWYIXCHSORJY-UHFFFAOYSA-N 488.975 5.235 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 524675446 FEDOQGQSKZRTNK-UZLBHIALSA-N 477.552 5.799 30 20 JKED Cc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2C#N)nn1-c1ccccc1C(F)(F)F 571073860 HORYALCTTDDPGW-UHFFFAOYSA-N 488.469 5.278 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)cccc1F 589282120 KXTINHHWDDUEGP-HNNXBMFYSA-N 454.317 5.208 30 20 JKED CN(CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C)Cc1ccsc1 590613704 CGOPBZSBALUFIF-BQYQJAHWSA-N 474.655 5.925 30 20 JKED COc1cc(OC)c(C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c(OC)c1 591558728 KFBLZWFYWICHEZ-UHFFFAOYSA-N 497.661 5.123 30 20 JKED COc1cccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2c[nH]c3ccccc23)c1OC 608917450 GNDMBKJPKHCTLA-AREMUKBSSA-N 496.611 5.809 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1 608995223 CZQZPQHNPAZWDE-RUZDIDTESA-N 469.541 5.472 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(C(F)(F)F)c1 608995929 MHYSPRCSISZZRK-HNNXBMFYSA-N 477.556 5.653 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 609061188 VBNSMGHMFMZCDO-UHFFFAOYSA-N 481.508 5.309 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 609062138 ZRGXRHAJIBQADF-UHFFFAOYSA-N 487.515 5.499 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 609384800 ZZXCOOKNHIFTEU-VQIMIIECSA-N 450.589 5.383 30 20 JKED Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613403341 CPPFFBCOMVFWEM-HNNXBMFYSA-N 457.502 6.161 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1sc2cc(C(F)(F)F)ccc2c1Cl 642161211 CDUTZPIKVIJDRJ-RKDXNWHRSA-N 497.810 7.213 30 20 JKED N#CCCn1cc(C(=O)COC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)c2ccccc21 725970103 SKRWEDVOZFASDE-UHFFFAOYSA-N 497.498 5.666 30 20 JKED Cc1cc(SC(C)(C)C)ccc1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 726079831 FKXYXAIHNTVKOM-UHFFFAOYSA-N 462.623 5.280 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cnn(CC)c3)N(CCC3=CCCCC3)C2=O)cc1 726119237 UUYHLOSPVMVITP-QHCPKHFHSA-N 495.649 5.153 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 726411160 LHQVILZGSSJLCH-QMHKHESXSA-N 490.535 5.063 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1)c1cccs1 726420676 MEOGRXZFUDPDBY-TZTREGAWSA-N 494.598 5.246 30 20 JKED CCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc(Cl)c2)cc1 726570972 BCDXIPGEWWRTDJ-UHFFFAOYSA-O 455.390 6.038 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC)c2)[n+]2ccc(C(CC)CC)cc2)c1 726572716 LAVQMVASLKQNGJ-UHFFFAOYSA-O 457.619 6.191 30 20 JKED Cc1cc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)c2C)no1 726628013 WTILSSKTITZDKD-QGMBQPNBSA-N 454.964 5.321 30 20 JKED CC(=O)N1c2ccccc2C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 726731525 KTXZCRVZTOZGCY-UZLBHIALSA-N 456.354 5.271 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC)c(Cl)c1 726890478 LFPWJPMUJRGULB-KRWDZBQOSA-N 485.915 5.348 30 20 JKED COc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1 728062035 HAWJCHQFBFRDEW-INIZCTEOSA-N 465.937 5.247 30 20 JKED COc1cc(OC)cc(Oc2ccc(/C=C(/C(=O)C(=O)O)c3ccc4ccccc4n3)cc2)c1 728156567 JVIVLAYLDNFGNQ-YDZHTSKRSA-N 455.466 5.239 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 728412220 RSHCSTJMQQRNHL-QGZVFWFLSA-N 497.445 5.108 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc3ccccc23)N(CCCCC#N)C1=O 728776207 MTWKPKUKCLFQOF-XMMPIXPASA-N 486.597 5.503 30 20 JKED COc1ccc(OCc2nn(CN(C)[C@@H](C)CC#N)c(=S)n2-c2ccc(C)c(Cl)c2)cc1 728902346 OCILQMBFBIOLEO-KRWDZBQOSA-N 472.014 5.144 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730459962 QNQYDYILTOQJCW-LJQANCHMSA-N 461.509 5.527 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C1CCC1 730461126 LCHIAXWENFVJET-IBGZPJMESA-N 472.492 5.090 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2C2CC2)cc1 730499130 QXSSCHIPIBJGOA-SFHVURJKSA-N 477.558 5.133 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(OC)ccc3OC)C(=O)N2Cc2ccco2)c1 730526578 HNZWHAHCNFFNFG-HSZRJFAPSA-N 493.585 5.020 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N([C@@H](C)c3cccnc3)C2=O)c1 730945185 PGNKYGQPHCFSAE-GAJHUEQPSA-N 492.576 5.259 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1Cl 731332653 PGNIGQCWWCWOAK-HNNXBMFYSA-N 466.028 5.017 30 20 JKED C[C@H](NC(=O)c1ccccc1NC(=O)CNc1ccccc1S[C@H](C)CC#N)c1ccccc1 731352009 JVVSRWVYLFSGRN-UXHICEINSA-N 472.614 5.622 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc([C@@H](C)N(C)C)n(-c2ccc(Cl)cc2)c1=S 745162743 UULDBRYDHPUNGX-QGZVFWFLSA-N 487.029 5.233 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 747112108 PUMVJQPZUDTPBK-SFHVURJKSA-N 458.370 5.569 30 20 JKED O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 747113512 ZROMCVIRWFIQNI-KAMYIIQDSA-N 498.608 5.005 30 20 JKED C=CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccc(Sc4cc(C)ccc4C)cc3)cnc21 791562908 YEHCSDWKVFJPOP-UHFFFAOYSA-N 494.667 5.582 30 20 JKED CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(F)F)cc1 799217784 WAGDCZMKGDHCQZ-QGZVFWFLSA-N 467.925 5.230 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1F 837300253 AAASUBFHFLWCAM-QVKFZJNVSA-N 466.513 5.081 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)c1 837451174 SINNIKVTIDLDGS-MBSDFSHPSA-N 476.577 5.559 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 901378149 ICQJLKPCKWGNBO-ZDUSSCGKSA-N 462.420 5.076 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)Cc1cccs1 914690514 XYHNPLZYUYJBCB-JPYJTQIMSA-N 493.654 5.026 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@@H]1c1ccccc1OC 915097848 BXZBRGAKYICIGW-GLDPYIMESA-N 461.587 5.261 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC(C)C)c1 916205989 LBTMAFAQQPUNJG-IBGZPJMESA-N 479.524 5.330 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccccn2)c1 916207442 YCUJMLWUYSPEOS-JOCHJYFZSA-N 495.004 5.213 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(C2CC2)C1=O 916213144 ZWCFAZVLPPAAAO-HXUWFJFHSA-N 457.983 5.088 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(SC(F)F)cc1 916213320 AWQISUIWFWLMNF-SFHVURJKSA-N 497.564 5.137 30 20 JKED CCOc1cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc(Br)c1O 916310632 AMDDRMCPHQCOFS-UHFFFAOYSA-N 484.375 5.182 30 20 JKED C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 916695138 XZKVFUBPUAXUAL-ZVZGQBRVSA-N 483.421 5.031 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(OCc2ccccc2)cc1 916888044 TXAXWBWPKFOXPN-OAQYLSRUSA-N 452.482 5.541 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 916902684 GQEATMIQPIMVLK-FQEVSTJZSA-N 487.560 5.221 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 916931787 ODQTXTPASVBXOC-GOSISDBHSA-N 475.763 5.339 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 916938740 MWQLIKKTDPIEFA-MRXNPFEDSA-N 457.914 5.271 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 916956017 WVDPJVFDVIOGOA-IFXJQAMLSA-N 468.966 5.343 30 20 JKED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976979 YULFMVSQMTUWQH-SCLBCKFNSA-N 473.982 5.539 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 917430516 MTTYEDFPPZNSHK-SFHVURJKSA-N 479.581 5.296 30 20 JKED CCCN(Cc1ccc(C#N)cc1)Cn1nc(SCc2ccc(OC)cc2)sc1=S 917457605 MJKZQYHAJXBKBX-UHFFFAOYSA-N 456.662 5.716 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3ccsc3)C2=O)cc1OC 917664039 BCBAWLZJEGZFQK-QFIPXVFZSA-N 495.626 5.234 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCN3CCC[C@@H]3C2)C1=O 917674666 PCLOTFRUBAPCTN-QTEQDKRBSA-N 497.064 5.236 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2cccnc2)c1 917708145 FZUUDYBBCFVOLV-NLFFAJNJSA-N 486.641 5.604 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)C4(O)CCCC4)c3C#N)C(C)(C)C2)o1 919133680 DNGSNPQMMJWSBG-CLFYSBASSA-N 480.586 5.086 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 919206087 SYDRTPLCSMDAHQ-HXUWFJFHSA-N 489.620 5.419 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1 919214154 HKOJYCQVWYCYTN-LEWJYISDSA-N 457.530 5.022 30 20 JKED CCCCCCOc1ccc(CC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 920106505 QNFXJLNYPPKBHH-FQEVSTJZSA-N 463.603 5.654 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(C)nn(Cc4ccc(C)cc4)c3Cl)n2)cc1 920144257 ZJWNAQUEVUNENO-FQEVSTJZSA-N 476.989 5.824 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(C)snc4s3)CCC2)cc1 1786366328 AOWXKVZJTLRQSX-UHFFFAOYSA-N 469.632 5.397 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(Cl)c4)cc3)CCC2)c(C(F)(F)F)n1 1787383732 ZBFLWUNONXJTAM-UHFFFAOYSA-N 499.880 5.082 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(Cl)ccc3Br)CCC2)cc1 1787888814 BZMCXGFSPWILEM-UHFFFAOYSA-N 474.786 5.083 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc5sccn5c4)cc3)CCC2)c1 1788413638 BWQUZNKYNCYKGT-UHFFFAOYSA-N 454.555 5.242 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5ncccc45)cc3)CCC2)cc1 1788906111 CQXORNXIRHKIGB-UHFFFAOYSA-N 460.537 5.362 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)CC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1789201617 WFVPHSNBJPIBOS-NZQKXSOJSA-N 483.653 5.512 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CCC2)cc1 1789577920 WCXBPUNVIZTSIX-ZMYCZXHXSA-N 475.976 5.290 30 20 JKED CC#CC[C@H](C(=O)Nc1ccc(C2(NC(=O)c3cncc4cnccc34)CCC2)cc1)c1ccccc1 1789600908 VKFXQTCUVPXCPN-MHZLTWQESA-N 488.591 5.575 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccn5)[nH]n4)cc3)CCC2)c(Cl)c1 1789811493 PJRDTWFEVNXRJZ-UHFFFAOYSA-N 496.958 5.058 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ncccc4-c4ccccc4)CCC3)cc2)c1 1790144833 LVZLLDGTNLWAAQ-UHFFFAOYSA-N 461.525 5.010 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)/C=C/c3cc4ccccc4o3)CCC2)cc1 1790511417 CPYNKKOJUKPTRQ-BUHFOSPRSA-N 472.541 5.090 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2)CCC1 1791523378 PNCIAEWPIFXUKC-QGZVFWFLSA-N 453.564 5.033 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)C3=CCCS3)CCC2)cc1)c1ccc(O)cc1 1791646752 RRYVHARSLFOWDD-HXUWFJFHSA-N 460.599 5.044 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1O 1792122613 CUYZLPQXWRSKLG-LJQANCHMSA-N 483.568 5.018 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CCC2)cc1 1792265249 FTFXEODZPCDLMD-UHFFFAOYSA-N 462.553 5.391 30 20 JKED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCC#C[Si](C)(C)C)C2)c1ccc(Cl)cc1 1792819391 ZSYFGVITYXPQSV-IITNATTFSA-N 459.106 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3nc(Br)sc3c1)C2 1798592889 PFKXLFSEGYKIJK-BJWYYQGGSA-N 490.467 5.303 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802492637 RNEFIQXBSDUKQS-BKMJKUGQSA-N 498.067 5.592 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@H]1c1cccnc1 1803078961 GAAWUVURKXKAPK-HOFKKMOUSA-N 496.051 5.368 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2c2cccnc2)c2ccccc12 1803605393 CCBMYBCKCFVHFK-QPVYNBJUSA-N 489.685 5.136 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)c4cccc5c4oc4ccccc45)CC3)C2)cc1 1804945499 MYEBTELYCVIRCX-UHFFFAOYSA-N 491.591 5.545 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)CCc3cccc(C#N)c3)CC2)C1)c1ccccc1 1805617222 BXPVHBSEKSAWMQ-MUUNZHRXSA-N 471.645 5.162 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)COc3cccc4ccccc34)C2)CC1 1806667688 IEQRDQQDWXBINH-DEOSSOPVSA-N 460.618 5.218 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)c1 1808982220 TULXJWXDQIBPHJ-LVWCUCSXSA-N 488.591 5.495 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CCC)n2cccc2)[C@H]1c1cccnc1)c1ccccc1 1810443193 DSZUKLZUOLIUMM-FKWFRFQNSA-N 496.655 5.128 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)cc2F)[C@H]1c1cccnc1 1811952354 LYWRSUANQCWAOG-SQJMNOBHSA-N 481.612 5.320 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(Cl)cc3F)[nH]n2)C1 1814398865 XMOBILYVNZEQSI-SFHVURJKSA-N 451.329 5.128 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)c1 1814740184 ATKYEFGSNDADSZ-QFIPXVFZSA-N 495.505 5.239 30 20 JKED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)cn3ccccc23)[nH]n1 1815215088 DSJYOQATRDULCO-YKSBVNFPSA-N 497.599 5.226 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)[nH]n1 1815215099 DTQRDUULXVAJSZ-MHECFPHRSA-N 476.552 5.113 30 20 JKED Cc1cccc(-c2cnccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)[nH]n2)c1 1817740115 OEXVIPBGWBAKAO-SANMLTNESA-N 490.567 5.272 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3nc(C)sc23)n[nH]1 1818536149 CBCRDRHIEFDWFM-DYESRHJHSA-N 463.607 5.402 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4)[nH]n3)cc2n1 1818971923 XDZRHNMRZZCBRV-XMMPIXPASA-N 498.974 5.411 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C23CC(C(F)(F)F)(C2)C3)[nH]n1 1819383938 AABBEODUXQZNBH-NWLLBJEDSA-N 494.634 5.186 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1819385467 VHMLFKXZGBCWPF-XMMPIXPASA-N 487.680 5.315 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccoc2Cl)[nH]n1 1819386722 GTDWCDJDXTZUFI-SFHVURJKSA-N 461.038 5.013 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2[nH]c3ccoc3c2-c2ccccc2)n[nH]1 1820091089 MHKNYDVRJSRHFM-QFIPXVFZSA-N 483.572 5.651 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)[nH]n2)c1Cl 1820220966 KSTKMLLTXBMMKQ-JQZBISMTSA-N 465.985 5.067 30 20 JKED CCn1c2ccccc2c2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)[C@H](C)S)[nH]n3)ccc21 1820225591 KULKCEDPFAVNRI-HJPURHCSSA-N 475.618 5.162 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c(Cl)cccc3Cl)n[nH]2)cc1 1820434203 AYZUKJPAXMWDIF-LJQANCHMSA-N 468.344 5.208 30 20 JKED CCCCCc1cccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)ON=C(C)C)[nH]n2)c1 1820712448 UEGVCAFOVOQYDD-HYBUGGRVSA-N 481.641 5.178 30 20 JKED Cc1c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)oc2ccccc12 1821274982 AFAWVNNJCQZDQS-NRFANRHFSA-N 471.492 5.095 30 20 JKED CCC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CCC1 1821309814 BXLZWCJVBQBZBP-IBGZPJMESA-N 473.499 5.186 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3cccc(OC)c23)n[nH]1 1821490547 OCRRAVPZPIXNKA-HXUWFJFHSA-N 463.582 5.198 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 1822021133 ZUPMAHAHQNEMNB-SRUXOGRHSA-N 468.718 5.279 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 1822391394 HGPQNHIWEHMKCK-GOSISDBHSA-N 454.983 5.387 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)n[nH]1 1822611199 LAMUVAMEUWEFJL-ZEQRLZLVSA-N 477.653 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)cc(OC)c2)n[nH]1 1823258644 HIFYQOCJBRZRBQ-FPOVZHCZSA-N 456.974 5.146 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)[nH]n1 1823421874 HKQSHSKOEBVEBM-LSYYVWMOSA-N 491.680 5.171 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3cc(F)ccc3Cl)CC2)cc1 1823681908 FEFNRYSCUXGRTP-AREMUKBSSA-N 496.026 5.146 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)CC2)c1 1823939085 RDFMFFSNNSMVSX-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc3ncccc23)CC1 1824140003 VCQALUGMTGYGRU-HHHXNRCGSA-N 459.634 5.165 30 20 JKED Cc1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c1 1824678625 KSQASHRGXBNOEE-FQEVSTJZSA-N 456.011 5.129 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)CC2)c(Cl)c1 1824930087 JUSPTLXXKCMJHL-VWLOTQADSA-N 494.010 5.316 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1825947526 PRBLVWAJBPWWKS-AREMUKBSSA-N 489.660 5.623 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1)c1cccs1 1828417592 PTFNBXBKGFJGNK-ZEYXJXHJSA-N 496.595 5.024 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCC([C@@H]2CCCCN2C(=O)C2(C(F)(F)F)CC2)CC1 1828468074 XOPJZJCSPKHYCF-SFHVURJKSA-N 494.451 5.420 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C4(C#N)CCC4)CC3)cc2n1 1828497539 CXGJXKPYQHZDSV-XMMPIXPASA-N 479.024 5.124 30 20 JKED COc1ccc2oc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2c1 1828526579 BHPAQRAPDXWMOF-IBVKSMDESA-N 499.611 5.616 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828908204 NOWBWTLOVJWJOO-VWNXMTODSA-N 499.797 5.233 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2cccnc2)CC1)c1ccccc1 1829034636 BCKHIDCJDNEUGP-SVZKLPPYSA-N 483.656 5.302 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)CCC1 1829574080 XKKAHKKXTZAMOK-QHCPKHFHSA-N 484.600 5.355 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCCC)cc2)CC1 1830104206 MVCPCETZGWHVFC-CLJLJLNGSA-N 452.639 5.477 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 1830633300 JGNYGBXOTPCLBE-AREMUKBSSA-N 490.047 5.371 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)CC1 1830685446 LEPOYIUEJFPVRE-LADGPHEKSA-N 498.465 5.322 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 1831374719 SULRJXACARAXLD-BKMJKUGQSA-N 451.655 5.122 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cscc2C)CC1)c1ccc(O)cc1 1831926061 VEVQOHUQDNSYQQ-ZEQKJWHPSA-N 478.658 5.193 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1832025388 YMQCDIMJHHTHFC-IZEXYCQBSA-N 488.672 5.515 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)c3ccc(O)cc3)CC2)c1 1832633691 MTDIEIKOOMGGKU-BUEREQSYSA-N 473.617 5.056 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccc(F)cc1 10925750 BCVSNWKFJOMLEY-UHFFFAOYSA-N 467.595 5.203 30 20 JKED CCOc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(C)c3C)=C2C)cc1 11207116 MEZMYWKDKIBJBJ-MHZLTWQESA-N 496.636 5.922 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2F)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 11248742 QGMJLNDQJUKTTR-UHFFFAOYSA-O 490.599 5.849 30 20 JKED COc1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)n2CC(C)C)cc1 11675481 MBJKQSQXQNJKHP-UHFFFAOYSA-N 495.674 5.543 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C)ccc1Cl 15992733 RPTFISJEDFKJLW-UHFFFAOYSA-N 489.424 6.244 30 20 JKED C=CCn1c(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2scc(-c3ccccc3)c2c1=O 16213332 NXJWEBBKUWIIIL-UHFFFAOYSA-N 493.013 5.493 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 18580792 WWIRIJVODMZOGO-LBPRGKRZSA-N 465.815 5.107 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nnc1-c1ccccc1 21754743 JSOZIGQBKQSART-MRXNPFEDSA-N 477.615 5.383 30 20 JKED Cc1csc(SCc2ccccc2C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 22163656 BJNOOVASZILZRM-CQSZACIVSA-N 483.640 5.350 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccccc2Br)=C(/S)Nc2cccc(C)c2C)cc1 22729274 DLSHFUKGQKNLJY-UHFFFAOYSA-O 468.440 5.967 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2csc(CC)n2)c1 22987991 DRFASQBMBIMTJQ-UHFFFAOYSA-N 477.007 5.097 30 20 JKED CCOc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1OC 24393871 NOIAUYGRGCTDAW-CYFREDJKSA-N 483.568 5.162 30 20 JKED CC(C)CCC[C@H](C)n1c(SCc2nc3ccccc3c(=O)n2CC#N)nc2ccccc2c1=O 24971308 BSQWFHZEGAQTCQ-IBGZPJMESA-N 487.629 5.310 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)c2)c1 31776566 SFDXJXMNBCIWGC-UHFFFAOYSA-N 457.917 6.017 30 20 JKED O=C1CCc2cc(C(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)ccc2N1 72067737 RDLZUDZHYBYZLJ-XBXARRHUSA-N 467.275 5.398 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 108733276 RXRIOPQQRHCBTF-UHFFFAOYSA-N 475.470 5.792 30 20 JKED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)c1ccccc1Cl 195534094 PMAHXCSKDYOZQK-UHFFFAOYSA-N 454.357 5.336 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(Br)cc2F)c1 301218694 RUZBVNHMXMFLAO-UHFFFAOYSA-N 484.350 5.443 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 303070901 XHCNQLYZWJLSFS-RUZDIDTESA-N 459.521 6.011 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1)c1ccccc1 303170316 RAQRIAXMXFCWHM-UHFFFAOYSA-N 479.536 5.578 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 303269056 GVIKDLXVXQBGMJ-INIZCTEOSA-N 460.584 5.872 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)cc1 303305026 DKHGVPUTQNSCQR-OAQYLSRUSA-N 488.396 5.122 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 303317647 SQUJEXMJNSGSTE-UHFFFAOYSA-N 496.588 5.672 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1occc1CN1c2ccccc2C[C@@H]1C 482841331 NMRQVDDLJJMQDO-IBGZPJMESA-N 464.525 5.851 30 20 JKED CC[C@H](C)Sc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c1 498464710 QCABYZLAEKVETD-KRWDZBQOSA-N 464.591 5.860 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 501140320 DVSDYGQZMGMYKF-UHFFFAOYSA-N 468.532 5.597 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 502612888 GDZSAFXSNBLWPU-HXUWFJFHSA-N 463.347 5.366 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 502663083 WHHVIRZKTGPHLS-UHFFFAOYSA-N 462.363 5.793 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1nc(-c2ccccc2)cs1 502693501 VTCIANOKYXHCDR-QFIPXVFZSA-N 471.607 6.323 30 20 JKED N#Cc1cn(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)cc2c1=O 502826608 KNRNOQDORMGITO-UHFFFAOYSA-N 473.760 5.203 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512171742 RPVZXWVSSOIQQM-YWZLYKJASA-N 462.531 5.146 30 20 JKED C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 513040074 FRTJJOVTGDCDDR-OAHLLOKOSA-N 474.615 5.137 30 20 JKED Cc1ccc(C(=O)C2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)c(C)c1 514542911 UNMCZGFCGYQIIR-UHFFFAOYSA-N 458.587 5.349 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCSc3nnc(NCCc4cccs4)s3)c2C#N)C1 515340948 CHDNWCUWTBBTGZ-ZDUSSCGKSA-N 489.717 5.433 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 516711220 RWEYWDXNIGVZKO-QGZVFWFLSA-N 497.580 5.302 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccccc1S[C@H](C)CC#N 517517615 DGCWSEXSBDHVOY-LJQANCHMSA-N 451.595 6.786 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 517518568 LTBOLLQBQZCTMK-HXOBKFHXSA-N 457.555 5.275 30 20 JKED CCCOc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 517727268 SSQPOMMYCRTDKS-UHFFFAOYSA-N 463.921 5.048 30 20 JKED Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)n2)n1 517824153 PCDRSOOAZWAFLQ-FQEVSTJZSA-N 476.367 6.099 30 20 JKED CCCOCc1ccccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 518118382 BFZYWEGMSWMYPB-UHFFFAOYSA-N 477.948 5.185 30 20 JKED N#Cc1cc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)ccc1OCC(F)(F)F 518588207 AFYKAZLLOFQCJN-LJQANCHMSA-N 493.894 5.059 30 20 JKED Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)c1 518709308 SEMMHLGNKUGNMI-FQEVSTJZSA-N 474.369 5.097 30 20 JKED O=C(Nc1ccc(F)cc1Br)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 520410157 RSNZWXLVPUITHI-UHFFFAOYSA-N 490.169 5.723 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 520813796 UCRBOVAAFPEVOQ-SFHVURJKSA-N 461.543 5.597 30 20 JKED Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1 521492278 IKORFZFNBCEXGJ-UHFFFAOYSA-N 458.499 5.142 30 20 JKED N#CCCN(C(=O)CCC(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1)c1ccccc1 521784608 HPANCGABSDJSLH-UHFFFAOYSA-N 456.333 5.049 30 20 JKED CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 524390575 ULMZQBSMGADIOX-UHFFFAOYSA-N 482.584 5.040 30 20 JKED Cc1cccc(-n2c(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)nnc2-c2ccccc2)c1 578309902 PQNXKTPGSORSKO-HXUWFJFHSA-N 499.665 6.368 30 20 JKED N#Cc1c(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)sc2c1CCC2 602756975 BYMLNYADIJTJAF-UHFFFAOYSA-N 485.487 5.397 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc3oc4ccccc4c3c2)CC1 603560011 AMUSCKXFIAWTRR-UHFFFAOYSA-N 452.470 5.561 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c12 603623628 KADGRBWSWBGQPJ-UHFFFAOYSA-N 465.444 5.649 30 20 JKED C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 603742882 JIQAAAVXPSSHKZ-OAHLLOKOSA-N 453.420 5.235 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)cn2)cc1 603764623 KPHLAQWAHQLGBG-UHFFFAOYSA-N 472.508 5.305 30 20 JKED C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc(NC(=O)Cc2ccccc2F)c1 603904179 OMUCLKCVNUISDW-IBGZPJMESA-N 497.526 5.542 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)c2ccco2)c1 603958229 QXCVNLLDRQCZJO-UHFFFAOYSA-N 453.473 5.698 30 20 JKED C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 603969412 RZMDYUNBKIMUED-KRWDZBQOSA-N 465.600 5.102 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 604509603 IBIUPEUDOAGJIZ-OAQYLSRUSA-N 489.403 5.208 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(-c3cccc(C)c3)c2)cc1[N+](=O)[O-] 608855652 UURQZFAKJSABTF-UHFFFAOYSA-N 495.539 5.286 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1Cl 609206407 IXCFSVBEOJBPFU-DEOSSOPVSA-N 497.986 6.457 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 609206746 BQFBUHFHFUDODT-UHFFFAOYSA-N 455.518 5.169 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 609404343 WJHUECZNRKIWGM-UHFFFAOYSA-N 495.954 5.541 30 20 JKED Cc1cccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)o2)c1 611167212 XIYKCJLUPQRNFO-UHFFFAOYSA-N 475.549 5.253 30 20 JKED COc1cc(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1OCC(F)(F)F 612429108 AUWCHIFJDRKXGK-RYUDHWBXSA-N 496.370 5.345 30 20 JKED C=CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 614509508 GMSVNGZFHDJBDJ-XMMPIXPASA-N 494.620 5.440 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(=O)N1CC2(CCCC2)c2c(F)cccc21 624421980 CFPHQJPGYQYTOM-CHWSQXEVSA-N 480.424 5.010 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H](c1ccc(F)cc1)c1cccs1 642663143 NYKJXPPLVQWJII-XNJGSVPQSA-N 468.438 6.185 30 20 JKED C(=NNc1nncc2ccccc12)c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 725719914 USSKSIFYKYMREN-UHFFFAOYSA-N 476.540 5.149 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 726322334 VJZUCJILTXREJQ-OYHNWAKOSA-N 470.504 5.812 30 20 JKED Cc1nc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2)nc2ccccc12 726396644 FWYXQFOVYILBCS-HSZRJFAPSA-N 499.571 5.238 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2ccccc2F)C1=O 726420519 IMSLTGBIWUQTRK-ZRGIPMBISA-N 497.617 5.486 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(F)c(F)c2)[n+]2ccc(C(CC)CC)cc2)c1 726572657 HQNHHCUFLTWDNE-UHFFFAOYSA-O 463.573 6.461 30 20 JKED CC(=NOCc1nnc(-c2c(Cl)cccc2Cl)o1)c1nc2ccccc2n1C(F)F 726594815 RATZPTUPZZNKFA-UHFFFAOYSA-N 452.248 5.729 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CC(C)C)cn1 726888684 CTMZGEZLLNZKRM-INIZCTEOSA-N 481.405 5.013 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 727026503 ASVSRUQPPXXPJS-IZZNHLLZSA-N 474.992 5.190 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 727134478 YOLHPYGYVHASRI-JOCHJYFZSA-N 458.518 5.259 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c1 728182351 LQHLQVPCZUZDQR-UHFFFAOYSA-N 469.562 5.390 30 20 JKED COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1OC 728738844 UDNPJBUBBOVIIX-SVBPBHIXSA-N 483.612 6.378 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 728739645 GGJNUQBINHNXGI-OAQYLSRUSA-N 478.593 5.770 30 20 JKED CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)NCCSCc3ccccc3C#N)ccc21 729576250 RPWNQNMNEPSWJV-UHFFFAOYSA-N 466.607 5.301 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1F)c1cccs1 729818435 SRGKOJPFUPOIHS-HSTXMGBVSA-N 492.601 5.349 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1 729889551 PNOKYXNNASXNOQ-UZINWLIJSA-N 489.616 5.159 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1F 730631101 IVQGACWUAIPRDB-UHFFFAOYSA-N 487.553 5.170 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N([C@@H](C)c3cccnc3)C2=O)cc1 730943284 BIGQUCUSPYKPOR-SBUREZEXSA-N 492.576 5.341 30 20 JKED C[C@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731308317 YZRBFVAWBQFKIH-IERDGZPVSA-N 465.600 5.045 30 20 JKED CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 731399855 GPRNSNWRIJOPKA-FQEVSTJZSA-N 450.539 5.214 30 20 JKED COc1ccc(Cc2nnc(S)n2N=Cc2sc(Nc3ccc(C)cc3)nc2Cl)cc1 744747384 LFJPFLNEUSMSEC-UHFFFAOYSA-N 471.011 5.210 30 20 JKED COc1cc(/C=C(/Cl)c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)ccc1OCC#N 747141449 VKQMJZKGTKQSBQ-MHWRWJLKSA-N 467.909 5.439 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 748004474 XNBVDILRKBYVBW-QHCPKHFHSA-N 488.565 5.156 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3c(Cl)ccc(Cl)c3C2=O)cs1 748583199 DTVWHPZLPVESLS-ZROIWOOFSA-N 459.354 6.102 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(COc3ccc(C)cc3)n2)c1C#N 811614164 GQFYBMNMGJBOFB-UHFFFAOYSA-N 451.573 5.254 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 837297019 XEQFSFMZQZCIHH-QVKFZJNVSA-N 499.423 6.110 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837395835 VWOFAPRYBIQUOW-OPAMFIHVSA-N 480.540 5.390 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837640136 MANTUHCXWAOTNJ-WZONZLPQSA-N 476.577 5.559 30 20 JKED COc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(F)cc2F)c1 838535728 IYWHDADFZWVLOM-JOCHJYFZSA-N 481.524 5.134 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc(CCC(F)(F)F)no2)ccc1Cl 904869410 VQIHZKXGLDWHBK-UHFFFAOYSA-N 471.888 5.266 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2sccc2Br)no1 904891060 ZPDRVONZMDCBOQ-UHFFFAOYSA-N 485.157 5.172 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 914439054 GHSXNNVTWKFMKM-VBKFSLOCSA-N 483.105 5.659 30 20 JKED CCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1 914601507 UGDYCZDUOORXNF-RUZDIDTESA-N 487.625 5.061 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)Cc2ccco2)cc1 914694742 UCRNOBWPOJXKCQ-KSFYIVLOSA-N 481.549 5.019 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)CC1 914956565 LMFGWCPNIXMMAD-VWLOTQADSA-N 481.508 5.190 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 915086267 JAHSBRQLKURYEZ-RCZVLFRGSA-N 457.961 5.486 30 20 JKED CN(C)c1ccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 915813629 OGWBRVZGDRNYBI-RUZDIDTESA-N 468.626 5.287 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 915850939 GONJABOFWCXWGQ-UHFFFAOYSA-N 489.547 5.577 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1OC 916135940 ZTLZRSNDFCGEIP-CPNJWEJPSA-N 477.944 5.587 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(/C=C2\CSc3ccccc3C2=O)cc1OC 916154896 WRPBABVIKYVJEA-GZTJUZNOSA-N 495.984 5.747 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546332 LXDUUQWSZGSHJO-UHFFFAOYSA-N 491.835 5.966 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)cc1 916953766 MOAXXEXGTWIEDO-HXUWFJFHSA-N 478.961 5.078 30 20 JKED C=CCN1C(=O)N[C@@H](c2cnc(-c3ccccc3)nc2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 917376664 LQSQXKDLXGEGLL-QFIPXVFZSA-N 493.489 5.327 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C)Cc2cccc(C(F)(F)F)c2)c1=S 917473968 IHTBATVZBLDAAX-FQEVSTJZSA-N 476.524 5.221 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cs1 917562874 LNMBIYQQDVEFQK-LFIBNONCSA-N 458.514 6.655 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3cccc(C)n3)C2=O)c1 917657547 AVOGWMJHALIXEW-HSZRJFAPSA-N 488.613 5.176 30 20 JKED C=CCOc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1OC 919027755 YTUXNIMSFDZRJE-UHFFFAOYSA-N 452.532 5.067 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 920113365 VZIXDSDMKTWLEW-DLEOWTEOSA-N 482.918 5.356 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)c1 920354643 DOWQMVNUNZMWGO-QHCPKHFHSA-N 476.602 5.323 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)SC2=Nc2ccc(F)cc2)no1 920357245 WLGALSJAIFDEJC-HXUWFJFHSA-N 486.956 5.244 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3Oc3ccccc3)C[C@@H]21 1783540820 DCLHBRAEODZQAY-CVJWPJSTSA-N 476.617 5.065 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC=C(C)C)CCC2)cc1 1786546483 FTYSAUNFNQTQBV-QFIPXVFZSA-N 469.626 5.336 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC3CCCC3)cc2)CCC1 1787617118 SVLVGURFLFUVNA-PIIWDFAUSA-N 481.637 5.170 30 20 JKED Cc1cc(C)c(NC(=O)OC(C)(C)C)c(C(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)c1 1787648593 HXHOQFURHMDOEN-UHFFFAOYSA-N 476.577 5.312 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)c4cc(Br)c(Cl)cc4F)CCC3)cc2)CC1 1787881879 YTFODFDDFCBSEL-UHFFFAOYSA-N 490.760 5.293 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787952141 WMKFCNBCGWVGAS-BELIEFIBSA-N 477.674 5.453 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCCC(F)(F)F)CCC3)cc2)c(C(F)(F)F)n1 1788356326 GCXYBXXBZMJJKC-UHFFFAOYSA-N 498.427 5.452 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3occc3Br)cc2)CCC1 1788718167 AZWAUVRWQCZANE-GOSISDBHSA-N 457.368 5.558 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)cc2c1 1789241634 KWJVEIFDGZHFRB-UHFFFAOYSA-N 479.536 5.569 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4cn[nH]c34)cc2)CCC1 1789375073 INTCSNPCWXADEQ-HNNXBMFYSA-N 481.394 5.285 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3cc4cccn4cn3)CCC2)cc1)c1ccccc1 1789600148 CRRGPSJBKWKDGE-AREMUKBSSA-N 476.580 5.279 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nscc45)CCC3)cc2)c1 1790075991 VNBIPYIVUWCOQF-UHFFFAOYSA-N 482.565 5.238 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@H](NC(C)=O)c3cccc(Cl)c3)cc2)CCC1 1790368447 YTYBKHVNQURGCX-LOSJGSFVSA-N 494.035 5.420 30 20 JKED Cc1ccc2cc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(F)c(C#N)c5)cc4)CCC3)ccc2n1 1790520092 DPNUEPIUSDDGCD-UHFFFAOYSA-N 492.554 5.544 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC(C)(C)C)cc3)cc2)CCC1 1790684877 ZEEATCCTWOLFRX-IBGZPJMESA-N 450.579 5.203 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4onc5ccccc45)CCC3)cc2)c1 1790796351 KQFPKGSKAQSZCR-UHFFFAOYSA-N 450.498 5.069 30 20 JKED CCC[C@H](C(=O)NC1(c2ccc(NC(=O)c3n[nH]c4ccc(C#N)cc34)cc2)CCC1)n1cccc1 1790835054 JDMHPXJGEXFUDK-XMMPIXPASA-N 480.572 5.025 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790870957 MGAURGYERBQYQM-UHFFFAOYSA-N 491.975 5.145 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5cccnn5c4)cc3)CCC2)c1 1790925922 NAYKCPMXTQPJNH-LJQANCHMSA-N 463.541 5.023 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(CN(C)C(=O)OC(C)(C)C)cc3)CCC2)cc1 1791578961 OFAATJMSSUBUJZ-GOSISDBHSA-N 497.661 5.120 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@H](O)c3ccccc3Cl)cc2)CCC1 1791747505 BRQOJCOOYJWPJO-JHUUHBRDSA-N 495.000 5.008 30 20 JKED Cc1cccnc1CCC(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792122445 AIZQALXAVZEEPU-NRFANRHFSA-N 466.585 5.398 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)CCC2)cc1 1792268581 PHYZCOKCTJJIEW-UHFFFAOYSA-N 499.611 5.515 30 20 JKED CCCCCc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/C(=O)c2cccs2)cc1 1796896505 CRSWUWKITVTKBN-QBQZLBCUSA-N 478.658 5.101 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1cccnc1 1808490875 ZRWYXYIIHTZRLV-IGKWTDBASA-N 498.048 5.269 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@@H]2c2cccnc2)c1 1809625105 NPLKHOSJSZSPFU-MDXOEAFXSA-N 498.671 5.635 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1810175505 ZDZQVUSIBHCHIF-ZWEKWIFMSA-N 468.601 5.026 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)C2(C(F)(F)F)CCC2)[C@@H]1c1cccnc1)c1ccccc1 1810444256 OOJUXKRCSAFSPO-TZRRMPRUSA-N 497.561 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@H]1c1cccnc1 1810499683 HCELYRULZMRKFK-AHWVRZQESA-N 470.617 5.250 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2N2CCCCC2)[C@@H]1c1cccnc1 1810502412 ISMIBFVGFQWFPN-SHQCIBLASA-N 488.676 5.384 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1810588149 FVHATMNCRASYOZ-OZXSUGGESA-N 496.051 5.610 30 20 JKED CCCCCc1ccc(CC(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 1811893746 MRCJCWHBVLZWCY-DGPALRBDSA-N 494.639 5.248 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@@H]1c1cccnc1 1812592306 RZOPSPTUXMMNQO-FBIATWESSA-N 498.652 5.823 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1813227012 OBNSPMZQWFXMSB-WXVAWEFUSA-N 489.019 5.105 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)[nH]n1 1814443108 MMSYWLDRYVUFQA-JOCHJYFZSA-N 463.582 5.198 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSC2CCCC2)n[nH]1 1815185952 GIXUZHQRRRSLPR-OAQYLSRUSA-N 474.747 5.129 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1815247695 OMZPSGOXAOLLBB-FUHWJXTLSA-N 499.862 5.086 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2c[nH]c3ccc(C)cc23)n[nH]1 1815793058 OGGAOWAWAOGWNW-HYBUGGRVSA-N 459.594 5.203 30 20 JKED N#Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)ccc1F 1816827774 UHODIMCPTBJOCF-SANMLTNESA-N 495.558 5.051 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3ccccc3C)n[nH]2)C1 1817742866 PEFXFFLWOQWEBJ-QHCPKHFHSA-N 455.562 5.052 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3occc3Br)n[nH]2)c1 1818205227 UCYRPQBJTDKZKR-AUUYWEPGSA-N 496.365 5.012 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(F)ccc4s3)n[nH]2)cc1 1819076241 BMSJMXLKVLAWOA-NRFANRHFSA-N 487.560 5.184 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)[nH]n1 1819308825 DWRGPLATJMQTLH-DYESRHJHSA-N 488.991 5.675 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[nH]n1 1819552503 OBUGUNVLLTVCHM-VWPQPMDRSA-N 452.574 5.337 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cccc2Cl)n[nH]1 1820433393 YFOOVWGTBSHDJJ-GOSISDBHSA-N 465.381 5.005 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820548690 LSVXSSDETDHAIS-HSZRJFAPSA-N 471.561 5.078 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 1820974369 YHZLUWNFUMNLJH-UGSOOPFHSA-N 499.921 5.189 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)ccc2F)n[nH]1 1821272711 YTPSQFPEJYUICI-OAQYLSRUSA-N 477.540 5.239 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccoc3C(F)(F)F)[nH]n2)c(Cl)c1 1821276350 NISRKUWAIZMYRA-QGZVFWFLSA-N 491.857 5.166 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821365190 UVVCGPGOUKLUTA-QHCPKHFHSA-N 462.500 5.074 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2ccsc2)[nH]n1)c1ccc(O)cc1 1822465452 SJJZUMKLPFVEGS-MEPGCTBYSA-N 488.613 5.080 30 20 JKED C[C@@]1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CC=CCC1 1822981925 XAZVOVPCJYFIKX-HYBUGGRVSA-N 496.409 5.096 30 20 JKED CSc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)cc1 1823215869 IKBIALOGNNIUMM-HOYKHHGWSA-N 487.629 5.307 30 20 JKED CCSc1cccnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 1823216807 BPYZXRPBBAUUMK-DYESRHJHSA-N 488.617 5.163 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)[nH]n2)c1 1823217425 SHZDKOXDMRTXQU-HXOBKFHXSA-N 467.529 5.403 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823311768 PGTOMFOYKAYLEZ-QAPCUYQASA-N 499.862 5.086 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1 1823682816 DKUYRDVIWTWVFU-QFIPXVFZSA-N 487.522 5.036 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CC2)C1 1823700022 IBLYDGVRYAJCBE-MHZLTWQESA-N 482.628 5.429 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1824053902 JSEDEQBAJKDUFH-VWLOTQADSA-N 499.989 5.356 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccc3c(F)cccc32)CC1 1824146739 KYRRASIXFAHQQF-DHLKQENFSA-N 465.613 5.169 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc(C(C)(C)C)c3)CC2)c1 1825434564 ODDHSCBJKLWYOM-RLWLMLJZSA-N 486.660 5.553 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc(C(F)(F)F)c2)CC1 1825687272 OASXGIVRWCODTE-HXUWFJFHSA-N 465.560 5.326 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3sccn3c2)CC1)c1ccccc1 1827406510 WTNWEMHLBKPKPE-FTJBHMTQSA-N 487.669 5.431 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(C)snc3s2)CC1 1827415204 YASQWBUWBWJYBS-FQEVSTJZSA-N 457.665 5.093 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)CC1 1827684509 DRCHFRYPYMSUOM-BHILXTBSSA-N 470.679 5.323 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)CC1 1827849658 BFBFPYYZQQSOLN-NRFANRHFSA-N 465.560 5.326 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnn2-c2ccccc2)CC1 1827967697 BFVULLQJGHFVNB-XMMPIXPASA-N 462.638 5.098 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3cccnc23)CC1 1828037786 HYMKJDIBJSWOQV-AREMUKBSSA-N 489.736 5.519 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)c1 1828996916 XTGDYYKNWFOEKI-SDKVIJGTSA-N 498.627 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 1829069165 MVBCCMSURPRBFE-AREMUKBSSA-N 474.649 5.369 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)c1Cl 1829690165 NWTJGCIKAKUPBT-OAQYLSRUSA-N 481.021 5.302 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3CC4(CCC4)C3)CC2)c1Cl 1829692602 KQRCJISIGLTRRF-JOCHJYFZSA-N 454.014 5.025 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829749798 WSAKKCREVXZOAG-RUZDIDTESA-N 462.638 5.302 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1829784066 BHIZMMKQVGGFJM-NBGIEHNGSA-N 463.597 5.333 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1830417180 TTXMVXOXUDWXHL-UZLBHIALSA-N 468.425 5.028 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC(F)(F)F)CC2)cc(C(F)(F)F)c1 1830755347 COGWLFGSRQKMNH-LJQANCHMSA-N 489.460 5.153 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Br)cc3c2)CC1 1831375575 ANANTVUOLVSMPN-MHECFPHRSA-N 498.465 5.443 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1831776347 XZCZHLYDONIQFK-NRFANRHFSA-N 487.666 5.299 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2Cl)CC1 1831858252 JWIHPEIGNITNBA-FQEVSTJZSA-N 472.935 5.091 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 1831859572 DCKIZXPIFOHKKU-SFHVURJKSA-N 458.908 5.048 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1831860384 QTZSPXUOQYWUBP-VWLOTQADSA-N 452.545 5.441 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)CCCCCC(C)(C)C)C3)cc1C#N 1846879314 OFDVQNQJFDLJGM-UHFFFAOYSA-N 453.627 5.159 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)nnc1-c1ccccc1 9448382 DUBXOPUIUQIYDN-HSZRJFAPSA-N 483.597 5.503 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccccc2OC)cc1 10118231 HIHSXQKJAKHDJK-UHFFFAOYSA-O 469.577 6.215 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)OCCO2 10828699 AGBHYOCQMYKGJG-UHFFFAOYSA-O 499.587 5.526 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)cc2F)cc1 11249792 KDVOJBPAZHEDCZ-UHFFFAOYSA-O 451.562 5.744 30 20 JKED C=CCn1c(SCC(=O)N(CC#N)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 11380349 PQMLCSYDTLHLHA-UHFFFAOYSA-N 478.624 5.021 30 20 JKED C=CCOc1c(Br)cc(/C=C(\Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1OCC 18076385 CDPKZSZEXISMRF-BOPFTXTBSA-N 475.770 5.694 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2cccc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 21088844 YEGTVTRJCZEWDS-DEOSSOPVSA-N 486.597 5.275 30 20 JKED CCCn1c(SCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)nnc1-c1ccncc1 24569541 OSOANKLRVIKKMY-UHFFFAOYSA-N 497.628 5.022 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCC3 28381414 IJWGKNQFMZEZJG-UHFFFAOYSA-N 466.415 5.170 30 20 JKED C=CCn1c(SCc2noc(-c3cccs3)n2)nnc1-c1ccc(Br)cc1 31632306 APLFXVXVEQRVOE-UHFFFAOYSA-N 460.382 5.297 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cs1 78719935 VOUDKPFNBMUMJD-UHFFFAOYSA-N 457.580 6.660 30 20 JKED Cc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 106115805 MVOJSWHGWFKMFA-MOPGFXCFSA-N 466.545 5.504 30 20 JKED CCC[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(C(F)(F)F)c1 110397361 KQXFTSKDFDRQOC-LJQANCHMSA-N 486.494 5.699 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccccc1F 195569225 XMLGGFMOVORAHA-NSHDSACASA-N 485.799 6.350 30 20 JKED N#Cc1cc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl 302930870 FHUFQBPWRUYLEY-UHFFFAOYSA-N 480.033 5.641 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12 302977454 JBTIVHBEWJSWGN-UHFFFAOYSA-N 452.514 5.277 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 476766332 VMJGHQXQRHYHFR-UHFFFAOYSA-N 479.327 5.502 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H](C)c1cc2ccccc2o1 481283373 LXGSZBPAWMQDCU-GOSISDBHSA-N 485.515 5.571 30 20 JKED N#CCCn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)O)cc2)c(-c2ccccc2)n1 485535033 WREUCSIEPHTMLR-DTQAZKPQSA-N 487.519 5.031 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 499778486 FVPMSCGKLZARAR-UHFFFAOYSA-N 467.382 5.341 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 502432632 SBRBREIBVFPRFX-UHFFFAOYSA-N 483.515 5.379 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(NC(=O)c4ccncc4)cc3)cc2)cc1 502612455 DRKSCHZMLVZMQD-UHFFFAOYSA-N 463.497 5.320 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1ccco1 503257967 XNFYVSQUKVZIAO-OAHLLOKOSA-N 479.587 5.157 30 20 JKED COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 504859454 UKXOVCWPLPQLDC-LJQANCHMSA-N 474.424 5.105 30 20 JKED COc1ccc(CC2CCN(C(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)CC2)cc1 504922518 BYBQGWNNVBLNIH-UHFFFAOYSA-N 499.636 5.393 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccccc1OC 505227165 TUKCSPWMASIQCN-RBUKOAKNSA-N 472.614 5.651 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)cc1Cl 506440674 WTKBPVQDRXTMRN-IBGZPJMESA-N 486.786 5.600 30 20 JKED CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1c(Br)cc(F)cc1Br 507983521 UIVXFPHAOKICMB-UHFFFAOYSA-N 490.192 5.074 30 20 JKED CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 509306948 UOMJEHMYLWNRDY-UHFFFAOYSA-N 461.949 5.523 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 509575199 MQWXQWVRVWONQF-UHFFFAOYSA-N 460.584 5.748 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 509717239 UGUWBPZCUHMYOK-SQVRNEIYSA-N 454.530 5.642 30 20 JKED CCN(C[C@@H](C)C#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 509976164 KEMFNUIGTWIWDJ-FQEVSTJZSA-N 496.032 5.357 30 20 JKED COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)c1 509992037 KHEOZPCLKAAOEE-QFIPXVFZSA-N 484.600 5.365 30 20 JKED CN(Cc1cc(Br)cs1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510085853 BWABVVNAUSPJMT-UHFFFAOYSA-N 480.438 5.190 30 20 JKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 511556063 YYIGADNYWAGHPF-AOMKIAJQSA-N 466.368 5.807 30 20 JKED Cc1ccc(-c2nnc(SCCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)o2)cc1 514520674 WVSFAINKJQXQAK-UHFFFAOYSA-N 461.547 5.097 30 20 JKED Cc1cc(-c2noc(CCC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)n2)ccc1F 517848288 MIWSKNHEXATLAP-DEOSSOPVSA-N 470.504 5.077 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 518074188 YOVXSGSNSJOTAU-HUUCEWRRSA-N 462.662 5.048 30 20 JKED CN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H]1CCSc2ccc(Br)cc21 518671203 SWWYFSXUNABIBF-QGZVFWFLSA-N 490.448 5.089 30 20 JKED Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2ccccc2)cc1 518738942 GRXKNKOVFRATNS-NRFANRHFSA-N 493.654 5.613 30 20 JKED N#CCCSc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2SCCC#N)c1 519402649 VSIXVRCHTGVOSP-UHFFFAOYSA-N 486.622 6.203 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 519905971 XDXMVTNXQVCUHQ-UHFFFAOYSA-N 476.602 5.073 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cc1 520531336 BLLWSZXNZHPDMH-UHFFFAOYSA-N 494.535 5.248 30 20 JKED CN1CCN(C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c2ccccc2)CC1 524367050 HTVDMRCJWLYEHL-XNMGPUDCSA-N 488.035 5.106 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn(-c2ccccn2)c1C(C)C 524386829 YNCNVJAYTYKALQ-UHFFFAOYSA-N 451.530 5.402 30 20 JKED Cc1cccc(-n2c(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)nnc2-c2ccccc2)c1 553340839 ZVEBOGLUDKUCLT-FQEVSTJZSA-N 499.665 6.225 30 20 JKED O=C(Nc1cccc(NC(=O)c2cc(F)c(F)c(F)c2F)c1)c1cc(F)c(F)c(F)c1F 558218646 UJWXMPKWKHIBFU-UHFFFAOYSA-N 460.280 5.304 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 560139607 ZUGJRJNJRRHCBJ-UHFFFAOYSA-N 461.468 5.888 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H]3CCc4c(Cl)cccc43)cc2Cl)c1 574777606 WSGYOCUDLHPSPD-QFIPXVFZSA-N 480.351 5.186 30 20 JKED C=CCN(C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)[C@H](C)c1cccc(-n2cnnn2)c1 596277399 ODFSNSYVLGIXBL-UZUQRXQVSA-N 495.425 5.225 30 20 JKED C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 596295965 WTTGKUFUAABFMN-SBUREZEXSA-N 450.974 5.116 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 603601296 VTJPWXISKDUGRY-UHFFFAOYSA-N 483.528 6.154 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 603739186 YCFAAOPKKUYEIM-UHFFFAOYSA-N 472.508 5.554 30 20 JKED Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 603760769 TXTHLBMHCLEOQC-UHFFFAOYSA-N 451.530 5.008 30 20 JKED N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 603976787 WKARUUTUPCUWFK-UHFFFAOYSA-N 453.829 5.219 30 20 JKED CC1CCN(c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2[N+](=O)[O-])CC1 604241722 KAPOGAXXPVNMNA-UHFFFAOYSA-N 457.490 5.142 30 20 JKED Cc1c(NC(=O)c2occc2COc2cccc(C#N)c2)cccc1-c1nnc2n1CCCCC2 608805244 QQIRQHMMNKSFNT-UHFFFAOYSA-N 467.529 5.276 30 20 JKED COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1OCc1ccc2ccccc2n1 609066087 GNJVGHAJUAGFBT-UHFFFAOYSA-N 485.543 6.613 30 20 JKED COc1cc2c(cc1OC)CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CC2 609078762 MWBQWOKQDIJPOV-UHFFFAOYSA-N 471.557 5.096 30 20 JKED Cc1ccc(C)n1-c1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cs1 609378526 NJDDOVYGQSTLJP-UHFFFAOYSA-N 464.538 5.756 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1ccc(Br)cc1F 609387536 MVVWPKABHNLMEP-CYBMUJFWSA-N 453.402 5.854 30 20 JKED Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nnn1-c1cccc2ncccc12 609426115 XZCIZVMUYQIANB-UHFFFAOYSA-N 462.538 5.075 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 609430775 AIASMFNFHMYUQZ-NSHDSACASA-N 454.926 7.220 30 20 JKED Cc1ccc(Br)cc1NC(=O)CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609434008 WILMVVSVBXQQRJ-UHFFFAOYSA-N 479.334 5.182 30 20 JKED C=CCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 609434153 YFDCAXWFPZTYPT-KBMIEXCESA-N 497.990 5.752 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346448 JWCNHCCJHBFOQB-QGZVFWFLSA-N 456.354 5.955 30 20 JKED CC(C)c1noc2ncc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc12 613347387 ZMVOUSPLKRYZAL-HNNXBMFYSA-N 457.342 6.267 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC 617993295 OZRKQIOHZJKEBU-ZDUSSCGKSA-N 463.390 5.566 30 20 JKED O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618539552 GQIFPEIBDJYVCT-HZPDHXFCSA-N 496.398 6.473 30 20 JKED CCc1ccc(OCc2nnc(Sc3ccc(C#N)cc3[N+](=O)[O-])n2Cc2ccccc2)cc1 619689272 OCPOGRPEWYOHSR-UHFFFAOYSA-N 471.542 5.399 30 20 JKED N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc(-c2c(F)cccc2F)cs1 620304260 OIWVSVOWITWLJI-OAHLLOKOSA-N 465.506 5.892 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1OC 620760713 NVUYBFIFCGQCSN-TZIWHRDSSA-N 450.348 5.172 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N(CCc1ccccc1F)C1CCCC1 622093074 WGHFVMUHQPEDBP-HOTGVXAUSA-N 468.457 6.232 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(Br)c(OC)c(OC)c1 623666335 OLPHQGVWRXODJP-UHFFFAOYSA-N 459.793 5.079 30 20 JKED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1nc(-c2ccccc2)cs1 641902390 YWVLBXDLRXAEQX-IBGZPJMESA-N 481.643 5.064 30 20 JKED C=CCn1c(S[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccc(OC)cc1 685006900 FWSGNJAXMLSQGY-LJQANCHMSA-N 476.602 5.563 30 20 JKED CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 725728812 OWTRRMLLQQTWPA-UHFFFAOYSA-N 465.619 5.227 30 20 JKED N#Cc1c(CCCNC(=O)Nc2cccc(Cl)c2SC(F)F)nn(-c2ccccc2)c1N 726077589 GHSPXHNPTGASTR-UHFFFAOYSA-N 476.940 5.049 30 20 JKED CNC(=O)C[C@@H]1S/C(=N/[C@H](C)c2ccc(Cl)cc2Cl)N(Cc2cc3ccccc3[nH]2)C1=O 726396340 JEYUGUNVGLLJCH-XGSLFVRESA-N 489.428 5.172 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2F)cc1F 726412883 UOAQHNHECHNZEZ-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S/C1=N\[C@H](C)c1cccs1 726419408 FCRILKCLQWCCBH-QAXHCUEGSA-N 451.564 5.216 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccs1)c1cccs1 726419579 IXGJJADMVBYAPY-UNJCWQMKSA-N 473.620 5.539 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2nnc(-c3c(Cl)cccc3Cl)o2)c1C#N 726636112 WTDFMYHSPYQFIC-UHFFFAOYSA-N 461.330 5.266 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)cc1Cl 726892385 UJODZUNPOPVHGY-NRFANRHFSA-N 499.976 5.111 30 20 JKED CN(Cc1ccccc1)CC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 727589467 UXFSSKKCZISCGZ-MUUNZHRXSA-N 452.602 5.718 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 728119209 LAWLGWARCSVGGU-JOCHJYFZSA-N 478.593 5.214 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)cn2)c1 728150139 OWVGWMIYSAOVAH-NRFANRHFSA-N 480.446 5.067 30 20 JKED C#Cc1cccc(N(C(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)C(C)C)c1 728246836 KLAWQZFQQSHXRN-UHFFFAOYSA-N 461.525 5.171 30 20 JKED CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 728259189 WRGJGEBGHJCCFY-UHFFFAOYSA-N 457.530 5.381 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2ccc(C(C)C)cc2)no1 728422975 HZHBWXZRIJDCBS-HSZRJFAPSA-N 487.585 5.139 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CCCCC#N)C2=O)c1 728777145 ZPUGUZNISAGEBI-QFIPXVFZSA-N 462.619 5.574 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1nc(-c2cccnc2)no1 729552695 INYCZLKONZRLQB-GOTSBHOMSA-N 452.518 5.306 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 729630954 HRUUQWLMXDMOGO-VWLOTQADSA-N 498.583 5.843 30 20 JKED Cc1cccnc1CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1C#N 729632105 PBXMYWCNLKOSRI-QFIPXVFZSA-N 489.988 5.076 30 20 JKED CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(OCC#N)cc2)cc1 729685462 WCSHXRIZANOPFC-UHFFFAOYSA-N 452.558 5.519 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CCC2)cc1Cl 730462344 MZVONQSILDAGOQ-LJQANCHMSA-N 474.920 5.003 30 20 JKED N#CCOc1cccc(NC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)c1 730477832 JQFUDSBEBJGJAP-NRFANRHFSA-N 455.283 5.249 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)CCc2nc3cc(Cl)ccc3s2)cc1 730607494 YUHHXXXUUYOWQS-INIZCTEOSA-N 455.967 5.069 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730687508 OFJFPXXGZGUALE-SFHVURJKSA-N 453.514 5.259 30 20 JKED Cc1ccccc1-c1nc(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1 731080308 KKNKSKQJPQCITP-HNNXBMFYSA-N 451.573 5.166 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2ccccc2)C1=O)Nc1cccc(O)c1 731303868 CLFNAXPIFULRSR-OAQYLSRUSA-N 499.514 5.572 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2-c2ccccc2)N(C2CC2)C1=O)Nc1cccc(O)c1 731312183 IXONMCKYKRUQJT-HSZRJFAPSA-N 457.555 5.182 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)=C(/S)Nc1cc(C)ccc1F 744116066 PVGRXFYWTBPNQF-UHFFFAOYSA-O 492.640 6.104 30 20 JKED CN(C)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 746698095 UKONCFNGJWFMEQ-VWLOTQADSA-N 497.624 5.394 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3F)N(Cc3cscn3)C2=O)c1 747600422 AYMFFQDRUKVRIN-HXUWFJFHSA-N 486.569 5.199 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cscn2)C1=O)Nc1ccccc1F 747601060 CYTWUQYCVZSXHC-JOCHJYFZSA-N 490.585 5.596 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c1 747601671 FSEBANYUYTZWIC-JOCHJYFZSA-N 492.670 5.525 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSCc1ccc(Br)cc1F 748003985 PFEOBQXJLAQPGT-GOSISDBHSA-N 477.399 5.294 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1 749383063 UYYKENHUQQHHAG-UHFFFAOYSA-N 492.988 5.364 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 751328866 ILQVRVSOAFAVRT-RZDWPUGNSA-N 451.570 5.280 30 20 JKED Cc1csc(SCc2ccccc2C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 769455374 PNFXICUEPIOLFQ-UHFFFAOYSA-N 457.964 5.064 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 837423813 YXJYRWHKRZMSRD-AUSIDOKSSA-N 458.587 5.420 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2C2CCCCC2)nnc1-c1ccc(Cl)cc1 854182326 MLJIZBSIOMEKJE-UHFFFAOYSA-N 457.003 5.217 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C#N)c(Cl)cc1Cl 856434001 KHWJBAHLXZNYMD-UHFFFAOYSA-N 474.369 5.333 30 20 JKED O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H](F)c1ccc(C(F)(F)F)cc1 857467483 FFPRSNACJPILFH-ZFWWWQNUSA-N 469.788 5.178 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1 904634473 PHQMNWHAQODJSJ-INIZCTEOSA-N 464.950 5.792 30 20 JKED CC(C)(C)OC(=O)NCCc1noc(-c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1 904769131 NOMWIZJAECYPDS-UHFFFAOYSA-N 457.346 5.093 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccc(C(F)(F)F)s3)no2)CC1 904974640 GORBXODHRKXLOR-UHFFFAOYSA-N 461.425 5.321 30 20 JKED O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(N=Cc2cc3ccccc3nc2O)cc1 912775489 JKDJNXORNLJGAQ-UHFFFAOYSA-N 488.459 5.553 30 20 JKED Cn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2cc3ccccc3cc2c1=O 914527290 JFVLNXZLVVTCQL-HXUWFJFHSA-N 482.590 5.179 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1ccccn1 914538240 LNPJAJBYRWFKNM-NFBKMPQASA-N 472.614 5.098 30 20 JKED Cc1ccsc1CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1 914545916 KHPNBMLMUMGOBL-IBGZPJMESA-N 471.554 5.495 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3sccc3C)C2=O)cc1 914548595 MFIBCMDEFVMERQ-OAQYLSRUSA-N 495.601 5.559 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 915100023 KJGTXDQQYSVXNY-TZIWHRDSSA-N 479.989 5.262 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cccc2c1=O 915107158 NEOWPWXGSHSZFH-IBGZPJMESA-N 469.447 6.003 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2ccccn2)c1 916210743 IAAABNREYBBMLZ-VWLOTQADSA-N 486.641 5.518 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1F 916214995 SKBXCOIJVXRRRV-LJQANCHMSA-N 475.904 5.372 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(SC(F)F)cc1 916885696 AKBYJLCGORROGJ-MRXNPFEDSA-N 477.945 5.668 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 916929787 AQDRBKGMCSBWTF-INIZCTEOSA-N 474.369 5.785 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 916932332 SPXAJCFJMZOIQU-LJQANCHMSA-N 495.391 5.895 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 916936847 ATCYXYBZOLGSEY-CYBMUJFWSA-N 464.749 5.347 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)cc1Cl 916937023 CSJJGBKPCNMWAQ-KOEDOTQGSA-N 454.910 5.577 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916939815 UMXKUWWOWAKQRC-AWEZNQCLSA-N 490.343 5.716 30 20 JKED COc1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1OCc1ccc([N+](=O)[O-])cc1 917026797 SRQCFLWYVWDLBL-UHFFFAOYSA-N 495.948 5.265 30 20 JKED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 917037346 YYJGWKXUSVEOCY-JOCHJYFZSA-N 468.431 5.145 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cc(Cl)sc2Cl)cs1 917559279 GTWKMYRAZAOYFV-QPJJXVBHSA-N 457.791 6.746 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc([N+](=O)[O-])cc2)c1 917668800 GXUHDKRSHLKXAC-JOCHJYFZSA-N 474.542 5.064 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccsc3)C2=O)cc1 917701866 AQCPVJVMZJJJNL-OAQYLSRUSA-N 460.584 5.089 30 20 JKED C=CCN(C(=O)COC(=O)c1csc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919371342 LIZVUBCNIMGDSE-UHFFFAOYSA-N 498.369 5.463 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 919515335 QNTLFPFBZGNERT-UHFFFAOYSA-N 495.004 5.206 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 920109740 UOJKENUZUISLNX-KCWPFWIISA-N 491.591 5.083 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)C3(c4ccc(Br)cc4)CCC3)n2)cc1 920141453 FGCDDEGIQGYUOA-LJQANCHMSA-N 467.388 5.879 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920353295 GLJNROBRCBKCQD-NRFANRHFSA-N 482.993 5.414 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 920869966 QSSYPJIOYBKXBQ-XCLFUZPHSA-N 495.979 5.169 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1C 920984386 OQPMELCFMCKVKH-QHCPKHFHSA-N 495.645 5.224 30 20 JKED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)C2)C1 1782112531 PLIQPNNSEYQLHE-CHJDUVSTSA-N 484.596 5.288 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)CCOc3ccc(F)cc3)cc2)CCC1 1785986527 XCLXOKROIBLVQE-OUKQBFOZSA-N 492.572 5.229 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4C4CC4)cc3)CCC2)cc(C(F)(F)F)c1 1786056010 JPRWMFXEIGVQJL-YADHBBJMSA-N 467.491 5.371 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(C#N)cc3)CCC2)cc1 1786162102 SDLDWXCJBMUBEJ-UHFFFAOYSA-N 489.616 5.137 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1786576808 WNHXDVJMLQULDJ-DNQXCXABSA-N 495.664 5.679 30 20 JKED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cccs3)cc2)CCC1 1787275862 MDHJMRBTMDABEE-OAQYLSRUSA-N 495.645 5.193 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cn5ccccc5n4)cc3)CCC2)cc1C#N 1788922177 GQYZKFWPROSCOY-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3cccc4nc(C)sc34)cc2)CCC1 1788944513 RWAXRJFQHXUUOW-UHFFFAOYSA-N 463.603 5.335 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)CC[C@@H]4CNc5ccccc5C4)CCC3)cc2)c1 1790255940 GJQGAPGLBJFBMK-QFIPXVFZSA-N 478.596 5.371 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3nc4ccc(C)cc4s3)CCC2)cc1 1790564706 ABDFLIMZXMTQAR-KRWDZBQOSA-N 464.591 5.153 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5ccc(C#N)cc5)CCC4)cc3)c12 1790920335 DBQKJAMIFPOZES-UHFFFAOYSA-N 464.525 5.110 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)COc4ccc(Cl)c(Cl)c4)CCC3)cc2)CCC1 1792229459 CMZVQKPBSRPBJR-UHFFFAOYSA-N 472.372 5.200 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)C2 1793052668 JCHIQZLVSYBDQC-BCDXTJNWSA-N 454.920 5.379 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#Cc3ccc(Cl)cc3)C4)cc2n1 1797957820 ZGGAWQPIEGLXNN-KOUNCHBCSA-N 492.406 5.154 30 20 JKED Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCCC#C[Si](C)(C)C)c[nH]2)cc1 1798417170 AILFQOAHIWPTSG-QEIWAGNOSA-N 475.709 5.293 30 20 JKED CCCCCc1ccc(/C=C/C(=O)NC[C@H]2CCN(C(=O)C3(C#N)CCC3)[C@@H]2c2cccnc2)cc1 1802996064 UBJDGWSVCVRQFI-AKAODXPDSA-N 484.644 5.227 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c(Cl)ccc(Cl)c2O)[C@H]1c1cccnc1 1803091109 MXXWEQNAAAWHOR-AVRDEDQJSA-N 488.415 5.182 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)C1 1804857742 WXMPDMLKIVCJDN-UHFFFAOYSA-N 452.426 5.226 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2csc(-c3ccccc3)n2)[C@H]1c1cccnc1 1808825962 JLWYCQJCCFVAKX-LADGPHEKSA-N 488.657 5.517 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1810171530 GDCRUNFAXZRTGJ-VDKIKQQVSA-N 486.641 5.293 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC4(CCN(C(=O)CCCC#C[Si](C)(C)C)CC4)C3)cc2n1 1810272740 ZBQARSUOEVMUJZ-UHFFFAOYSA-N 479.697 5.032 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCCC3(CCN(C(=O)c4ccc(CC#N)cc4)CC3)C2)c1 1810361379 ZCPOMDMCSDAMGU-UHFFFAOYSA-N 492.623 5.282 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2Cl)[C@@H]1c1cccnc1 1811367356 IUAXMWBXDWNZIQ-ZHRRBRCNSA-N 495.904 5.016 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@H]1c1cccnc1 1811427879 RAUNUVATBKQSEO-ZWWHJUMASA-N 494.639 5.741 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3C3CC3)[C@@H]2c2cccnc2)c(Cl)c1 1811753958 YBLDDLCBJACRMA-QFQXNSOFSA-N 484.987 5.117 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)c(Cl)c1 1813832350 ZCJOQMPRIINTIX-CYFREDJKSA-N 493.394 5.202 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2F)[nH]n1 1814441536 MMTUEFGKMYGCHV-NRFANRHFSA-N 451.546 5.328 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)[nH]n2)c1 1814738431 CTMUHZHXEYDVGA-SANMLTNESA-N 477.568 5.373 30 20 JKED Cc1ccc2oc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)cc2n1 1817692288 KNZCHAFTGJCXLY-KSFYIVLOSA-N 482.544 5.106 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2OC(C)(C)CC3)n[nH]1 1817941417 ZJLVFJJRRDUYRG-LJQANCHMSA-N 472.536 5.031 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)[nH]n1 1818114157 LJQOYKSUPKXUKV-GFOMBABLSA-N 486.956 5.009 30 20 JKED Cc1ccc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)ccc2n1 1818675162 NWQPEDMMFPTIHZ-HSZRJFAPSA-N 498.974 5.411 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1 1821289723 JFXRIKURAHZSQJ-OAHLLOKOSA-N 475.298 5.373 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(C)cc2)[nH]n1 1821921586 UYYUKAKKXCWMFH-AUSIDOKSSA-N 457.578 5.298 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1821923221 VCOHGWBUGRZCST-HRAATJIYSA-N 472.549 5.064 30 20 JKED C[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)CC1 1822942905 CDPREDXLSSHJIZ-WHSLLNHNSA-N 498.425 5.176 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C#N)CCC3)n[nH]2)c1 1823379383 ADIVDPIJLLZRLA-HXUWFJFHSA-N 498.425 5.295 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)cc1 1823681977 KIXMAGRMAATMCE-UTDJSRPSSA-N 494.639 5.305 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1824143619 OKICEJRZRUUPFY-DEOSSOPVSA-N 483.056 5.147 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1824499830 PQMVUCGEJZPUEM-HSZRJFAPSA-N 497.602 5.304 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 1824500834 DOCTXEXFUZYDSY-ISJGIBHGSA-N 473.057 5.046 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 1824960240 GAUYBGPNOFXMJC-JOCHJYFZSA-N 498.611 5.057 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1824960788 VVINCXBMEXDIRQ-CVDCTZTESA-N 496.639 5.434 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1)c1cccs1 1827684449 CEFGSEBVGJDLCM-BXKJMJEDSA-N 489.012 5.213 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827990997 BUMSMPQSLXKFJY-XMMPIXPASA-N 480.008 5.174 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)c1 1828159048 UXGVRPCBGAOJEH-RUZDIDTESA-N 494.517 5.004 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c4ccccc34)CC2)C1 1828508144 OXYUPOYYOYNKOD-RUZDIDTESA-N 495.461 5.802 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cnccc34)CC2)c1 1828656249 FEUSAPYUEICDEG-LYZGTLIUSA-N 480.612 5.409 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(F)cc2F)CC1 1828820746 DMWRMFHPWDFSDL-RIGHGNHVSA-N 456.577 5.366 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1828823048 NYZGGUVSALFFSR-FTJBHMTQSA-N 452.639 5.016 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3cn2)CC1 1828906900 OVYBMFZRVOOJEC-XMMPIXPASA-N 479.697 5.112 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]c3c(Cl)cccc23)CC1 1829068791 QORZYMAAPSCNGV-OAQYLSRUSA-N 471.045 5.442 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)CC1 1829368313 XTZJMCPEWWFGNJ-QFIPXVFZSA-N 476.061 5.359 30 20 JKED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562568 DRILUIKHLHLQRT-RDPSFJRHSA-N 475.658 5.158 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829838639 RQBVAVAOWRNFBI-GGAORHGYSA-N 499.652 5.628 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 1830364517 CAZSONJAGPVVEC-HSZRJFAPSA-N 469.626 5.058 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830655388 GBBQVNQGFIRZAR-QUCCMNQESA-N 475.457 5.320 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)cc1 1830718937 OZCAMCLNVZFZPO-ODVYZXGQSA-N 491.632 5.545 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c(Cl)c1 1830721642 KWAAPAZQRBNBQL-QFIPXVFZSA-N 493.032 5.368 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3ccc(Br)cc3c2)CC1 1831375573 ANANTVUOLVSMPN-HOYKHHGWSA-N 498.465 5.443 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCCC(=O)OCc2ccccc2)CC1 1831721925 JZRAKMSBNIRWEG-HHHXNRCGSA-N 496.692 5.656 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)S)CC2)cc1Cl 1831844522 ARWUTMHXVXORPN-YWZLYKJASA-N 487.493 5.332 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 1832033756 BSEYWRCWRRZCLN-AIIPKAINSA-N 485.466 5.276 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSC3CCCC3)CC2)c1 1832628834 CRPIXVLKWCRGJC-NBGIEHNGSA-N 467.679 5.223 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c1 1832632913 YQIDAELSQKMXNW-CYFREDJKSA-N 486.641 5.470 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3coc(C(C)C)n3)CC2)cc1C#N 1832701685 OKTWSARFMRBSNH-DEOSSOPVSA-N 492.620 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3c[nH]c4cc(C)ccc34)CC2)CC1 1838424202 UIZNDRHDJZEULN-VQHVLOKHSA-N 491.676 5.481 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cc(Cl)cc(C(F)(F)F)c1 1847266340 KOAQWMJXLPBLTG-OALUTQOASA-N 456.936 5.096 30 20 JKED COc1cc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(OC)cc1Cl 10551260 PNBAOEJWINKOHE-UHFFFAOYSA-N 482.945 5.176 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)cc1)[n+]1cccc(O)c1)c1ccc(-c2ccccc2)cc1 10831754 GTDLCYUMWHUVAD-UHFFFAOYSA-O 459.978 6.051 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2ccc(Cl)cc2Cl)[n+]2ccc(N(C)C)cc2)c1 10836771 KBKWEHMJEIFJFD-UHFFFAOYSA-O 473.449 6.015 30 20 JKED CCOc1cc(/C=C(/C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c2ccccc2)ccc1O 10910976 LMWRMYVZVKRVCK-CIAFOILYSA-N 476.916 5.038 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)c(Cl)c2)[n+]2ccccc2)c1C 11159402 VOXSVJWSLPAXMB-UHFFFAOYSA-O 477.393 5.063 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Br)cc1)=C(/S)Nc1ccccc1C 11165387 DNNRGGFWMCISFJ-UHFFFAOYSA-O 454.413 5.658 30 20 JKED CCOc1ccc(-n2c(S[C@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2)cc1 11197311 AGAGWHRNKINZFI-LJQANCHMSA-N 475.618 5.156 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1cccc(Cl)c1C 11256542 RSYWAXZQDBCQLB-UHFFFAOYSA-O 478.852 6.856 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1ccc2c(c1)CCCC2)c1ccccc1 15247979 HCVWNMDAFGCTAR-UHFFFAOYSA-O 456.418 6.211 30 20 JKED COc1cc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C2CCCCC2)cc(OC)c1OC 16254500 HVQLSDAJYNANPB-UHFFFAOYSA-N 492.601 5.323 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)nnc1[C@@H]1COc2ccccc2O1 21119239 JBWVYFVKHCONDE-KUHUBIRLSA-N 490.507 5.115 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc(Br)cc1 21927416 DMOGRAKBXYBBQW-UHFFFAOYSA-N 495.349 5.226 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1cc(F)ccc1F 22690195 USQDUNLTUJXLKV-UHFFFAOYSA-O 451.490 5.618 30 20 JKED COc1cccc(NCc2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)n2C2CCCCC2)c1 22719501 QQVOLBPKPUBNMY-LJQANCHMSA-N 496.681 5.227 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(Cc3ccccc3)cc2)c1 22729189 KWZBJEJMABGYLD-UHFFFAOYSA-O 496.612 6.141 30 20 JKED O=C(/C(=C(/S)Nc1ccc(Oc2ccccc2)cc1)[n+]1ccccc1)c1cc(F)ccc1F 22730140 MOTQNXHGKCVDRV-UHFFFAOYSA-O 461.513 6.096 30 20 JKED O=C(/C(=C(\S)Nc1cc(Cl)cc(Cl)c1)[n+]1cccc(O)c1)c1ccccc1Br 22733023 UYMSHLQMIWBCTO-UHFFFAOYSA-O 497.221 5.800 30 20 JKED C=CCN(Cc1cccs1)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 24638991 LSXSLXSRADIJQF-UHFFFAOYSA-N 477.007 5.039 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccoc1C 36802882 NQBXSYPOHNGDFN-HSZRJFAPSA-N 458.587 6.121 30 20 JKED N#CCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 36822277 XUVCQPKHTHAXNF-UHFFFAOYSA-N 473.989 5.296 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)nc21 105809913 LYSJEABYEHJZGH-UHFFFAOYSA-N 454.559 5.233 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1Cl 107649056 YIDKTAOZGGDRHJ-DEOSSOPVSA-N 495.922 5.637 30 20 JKED Cc1nc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)sc1SCC#N 107899887 FRSFKBRPZOLYAX-UHFFFAOYSA-N 457.581 5.227 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)cc1 110892213 YCHZXMYOCBWUPF-UHFFFAOYSA-N 473.617 5.033 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 195664194 VDKXCXPIYPGNGW-INIZCTEOSA-N 453.976 6.337 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)s2)cc1 195747143 IGACXUNTDPNNDL-IAGOWNOFSA-N 471.405 5.207 30 20 JKED CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1Sc1ccccc1C#N 216858042 AVCGSFAYCQDTOX-UHFFFAOYSA-N 484.408 6.117 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)N3N=C(c4ccco4)C[C@@H]3c3ccco3)c2)c1 302933231 DYHLMZJPIGVNHJ-XMMPIXPASA-N 466.497 5.113 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CC1 303026295 SFZCKPGGRMBKCC-UHFFFAOYSA-N 478.980 5.304 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 303170283 IOWFHUDCFWWQHO-UHFFFAOYSA-N 459.958 5.697 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1 476481337 BIUDQDQENNOBPT-VWLOTQADSA-N 477.511 6.132 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4c(F)cccc4Cl)CC3)cc2)cc1 480377176 ODGMRZRLZIYANU-UHFFFAOYSA-N 478.911 5.133 30 20 JKED Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C)c1 488087677 XZTKNKICPUAXMP-DEOSSOPVSA-N 457.555 5.121 30 20 JKED Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 491514324 NVQZODYODADKMY-UHFFFAOYSA-N 456.590 5.350 30 20 JKED Cc1cc(SC2CCCCC2)ccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 498435523 ONBWDDYJEUFAEF-UHFFFAOYSA-N 490.629 6.395 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2)cc1 501419124 GAOHSHYVJWCLSV-UHFFFAOYSA-N 455.489 5.697 30 20 JKED COc1cccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c2c[nH]c3ccccc23)c1OC 503718165 QHMTUSYIBBNDQQ-UUOWRZLLSA-N 468.557 5.249 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1Cl 504272888 YAIPDYHGNVCFPC-HSZRJFAPSA-N 458.949 5.291 30 20 JKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 509221618 AFMVPVOPRFZHIB-UHFFFAOYSA-N 481.518 6.793 30 20 JKED C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510245855 XLIISYLCFKHUSU-CYBMUJFWSA-N 466.617 5.537 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 510357907 YHRQTFRRBZLTAJ-UHFFFAOYSA-N 484.438 5.237 30 20 JKED C=CCN(C(=O)C1CCN(C(=O)N(CC)CC)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 512298480 GITKXNWTKHEJJK-UHFFFAOYSA-N 495.476 5.810 30 20 JKED N#C[C@@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 513668140 YQTAWUNFDKLPQJ-LBPRGKRZSA-N 474.394 6.287 30 20 JKED CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1 514363138 LBGAFYCRKQUQGQ-CQSZACIVSA-N 467.620 5.124 30 20 JKED COc1cc(CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OC(F)F 514595950 NCNMQJBEERUCLQ-UHFFFAOYSA-N 457.317 5.606 30 20 JKED CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 515130481 XUJGDZLDBQCNEF-QHCPKHFHSA-N 482.005 5.277 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc(-c2ccccc2)cs1 515543633 UDYNWJNUTDWKTQ-HSZRJFAPSA-N 450.519 6.625 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nncn2[C@H](C)c2ccccc2)n(-c2cccc(F)c2)c1C 515563448 LHLNOSMLDPWJHZ-GOSISDBHSA-N 474.565 5.037 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)C/C(=C/c2cccc(OC)c2)c2nc3ccccc3s2)cc1 515649668 UOYDMRHHLXEIDT-PGMHBOJBSA-N 483.593 5.790 30 20 JKED COc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515899644 YUVCJBLSIZVQFQ-UHFFFAOYSA-N 485.927 5.421 30 20 JKED CN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 515966212 RBUGIWNOTPAYGJ-NRFANRHFSA-N 452.341 5.246 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)n2)cc1 516269906 CQAPPGWHPMGVQF-LJQANCHMSA-N 459.575 5.758 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2nc3ccccc3o2)c(OC)c1 516269907 CSCVJPWFXKFKQC-FQEVSTJZSA-N 464.481 5.188 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4cn5cc(C)ccc5n4)c3)n2)cc1 516270145 NKZJEYZDWKOJRV-XMMPIXPASA-N 494.576 5.844 30 20 JKED CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)c2C#N)C1 516461412 ZFLSYAZGBRHOTN-HNNXBMFYSA-N 490.094 5.977 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 517455309 AJWYIJWHQLKGMX-AKVXTMBTSA-N 487.669 6.023 30 20 JKED COc1ccc(C2(CNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CCOCC2)cc1 517903670 SFBJUBCBMANBNW-UHFFFAOYSA-N 457.530 5.229 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)c2)cc1 517949228 WEPZCOBTBWDWAZ-SANMLTNESA-N 471.532 5.067 30 20 JKED C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 518101911 WYODLYHEIZWSIL-YWZLYKJASA-N 467.903 5.432 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cc2)c1 518232333 PGKXHHPTJZUJIO-UHFFFAOYSA-N 462.918 5.785 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)sc2n1 519511399 VUFAEGPOTDAQKU-UHFFFAOYSA-N 460.515 5.071 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(CN3CCSCC3)c2)cc1 519938142 SCKODJMEFWFLAO-UHFFFAOYSA-N 459.640 5.652 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1OCC(F)(F)F 519988681 FUULMTYSBRMJML-UHFFFAOYSA-N 471.435 5.622 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 520187714 AXYHGEMGXKPQQK-INIZCTEOSA-N 469.563 5.273 30 20 JKED COc1ccc(CN[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1OCCCC#N 520212234 VCJCGMCNKUTZAK-VWLOTQADSA-N 465.391 6.019 30 20 JKED CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 520637644 YFHUGROPAFSHFN-UHFFFAOYSA-N 498.988 5.595 30 20 JKED CC(C)(C)C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 520846882 NWEYCXBVQZVLQU-IBGZPJMESA-N 477.552 5.943 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2cccs2)cc1 520936202 UVRDIFBXLAFSOH-KOSHJBKYSA-N 477.655 6.110 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 520945453 XTUONTYMFMQPRG-FQEVSTJZSA-N 463.946 5.296 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N(C)C[C@H](C)C#N)nnc1-c1ccc(Cl)cc1Cl 520953310 WZNCUOLCTQUUHW-CQSZACIVSA-N 474.417 5.260 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(NC(=O)C4CCCCC4)CC3)cc2Cl)cc1 521684629 NJXPIYRDGJYGNW-UHFFFAOYSA-N 480.996 5.697 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 521734325 MDJWCMQDVNOBBW-UHFFFAOYSA-N 458.509 5.695 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1Cl 523311350 IMWHHPAKGFIBTH-IBGZPJMESA-N 499.855 5.986 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 523803265 MJCZPIGGKNMBGK-UHFFFAOYSA-N 465.450 5.480 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)Cc1ccccc1-c1ccccc1 523966899 NHIMJTMAHLIMID-UHFFFAOYSA-N 476.536 5.318 30 20 JKED COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1OCc1ccc2ccccc2n1 524383976 FSKJQVOMCNMPBY-UHFFFAOYSA-N 479.945 5.148 30 20 JKED Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@H](C)CC#N)s2)cc1Cl 553300499 OTWNBIFAVIILEG-CQSZACIVSA-N 490.079 6.369 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 604100502 ALMXGDOEJLDUKC-UHFFFAOYSA-N 482.588 6.238 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)c3ccco3)cc2)cc1 604458550 CFOWHVVTWUKRAT-RUZDIDTESA-N 463.493 5.149 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCCc3cc(F)cc4c3OCOC4)cc2Cl)c1 609080645 QTHVRUVYVMLKNE-UHFFFAOYSA-N 481.911 5.160 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1-c1ccccc1 609105373 XXBVYSUEEAWNSF-UHFFFAOYSA-N 454.505 5.838 30 20 JKED C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609163328 HYPZORKAIKWKQW-BTYIYWSLSA-N 452.341 5.406 30 20 JKED Cc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1-c1ccc(F)cc1F 609172788 CGXYIIVPURIQMV-DEOSSOPVSA-N 458.468 5.033 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ccc(C#N)cc2F)c(OC)c1 609229583 ZSZQBITYNGDHGE-UHFFFAOYSA-N 457.505 5.112 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cc(Br)cn4)cc3)n2)cc1 613318253 SKPLCGRWZFLSBO-LJQANCHMSA-N 463.360 5.557 30 20 JKED Cc1ccn(-c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)n1 613344216 AYMOFKRIAOLHET-GOSISDBHSA-N 453.354 6.101 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)C2CCCC2)nnc1[C@H]1COc2ccccc2O1 613907144 AOISMXVGYOAJHU-NOZRDPDXSA-N 490.629 5.116 30 20 JKED N#C[C@H](C(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)c1nc2ccccc2o1 614439626 AZBHMJATJXYJIT-QGZVFWFLSA-N 478.277 5.472 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642677861 BMXOOURTBFQTKQ-BRPSZJMVSA-N 486.306 5.920 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642689270 YZWUSTMJHYLJRO-ZIAGYGMSSA-N 460.340 5.266 30 20 JKED Cc1nc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)sc1SCC#N 725718795 LGLDDLHSTUBRCV-UHFFFAOYSA-N 461.410 5.490 30 20 JKED COc1cc(C=Nn2c(S)nc3ccccc3c2=O)ccc1OCc1ccc(Cl)cc1Cl 725860026 UWYBZEZUWNLGCO-UHFFFAOYSA-N 486.380 5.462 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(C3SCCS3)c2)cc1 726072177 BZEQUZKFTADFBY-UHFFFAOYSA-N 463.603 6.410 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccnc(C)n3)C2=O)c1 726422352 VMNUTAIYCVAUBV-SYGSHIDXSA-N 493.658 5.053 30 20 JKED CC(=O)N(c1nc(/C=C2\Oc3c(cccc3C(C)(C)C)C2=O)cs1)c1ccc(F)cc1F 727974318 JHXDFSKCONGABH-JAIQZWGSSA-N 454.498 6.020 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 727995674 AOEISKZLBRHBJX-QFIPXVFZSA-N 473.960 5.086 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 728112547 OGSQFXOESQEIHX-UHFFFAOYSA-N 477.973 5.391 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728778604 SZARNJXXLBACFI-OAQYLSRUSA-N 469.010 5.611 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](c2ccc(F)cc2)C2CCC2)cc1F 729145124 IESJNLWXDBWKBY-LADGPHEKSA-N 499.583 5.115 30 20 JKED N#Cc1cccc(OC2CCN(Cn3nc(-c4ccccc4)n(Cc4ccco4)c3=S)CC2)c1 729472725 VFWYHPZNLLPFDT-UHFFFAOYSA-N 471.586 5.095 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729787403 XAGGZEKZOLTZCS-UHFFFAOYSA-N 483.512 5.267 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1F 730463057 RLPLPWUIQOMKTF-LJQANCHMSA-N 495.498 5.366 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Oc1c(Br)cc(C#N)cc1OCC)O[C@@H](C)C2 730468749 ZOPKOXZXNBABDG-OWQGQXMQSA-N 486.362 5.151 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CCc2nc3cc(Cl)ccc3s2)cc1 730607495 YUHHXXXUUYOWQS-MRXNPFEDSA-N 455.967 5.069 30 20 JKED CC(C)(C)OC(=O)Nc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F 730686051 CROZZSVATKRCKN-HNNXBMFYSA-N 466.296 5.441 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730942122 FKSCPTCFRUYUKS-YADARESESA-N 488.613 5.429 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@@H](C)c1cccnc1 730942302 MBGLNDYVGBHQES-KSFYIVLOSA-N 480.540 5.390 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 730942766 XAXXUUILDFWUIO-LHSJRXKWSA-N 484.503 5.220 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc(SC(F)F)cc1 730954529 BKHRCQPZPHCVPT-UHFFFAOYSA-N 463.522 6.835 30 20 JKED CC(C)(C)n1cc(C=Nn2cnc3ccc(Br)cc3c2=O)c(-c2ccccc2Cl)n1 731152151 XEZRRMGEIBJKFI-UHFFFAOYSA-N 484.785 5.313 30 20 JKED COc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C)ccc1C 731310839 RBWMMRCHNVAXOB-DEOSSOPVSA-N 489.597 5.178 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2oc(C(C)C)nc2C#N)cc1OC 745625301 VSVLLAYSYLVWQH-UHFFFAOYSA-N 470.533 5.045 30 20 JKED N#Cc1cccc(CNC(=O)COC(=O)c2oc3ccccc3c2CSc2cccs2)c1 746591733 XBKQCSXKLPVQBY-UHFFFAOYSA-N 462.552 5.131 30 20 JKED CCc1ccc(OCc2nn(CN3CCC(C#N)CC3)c(=S)n2[C@H](C)c2ccccc2)cc1 747079082 UEIOHBMGUCSVCW-HXUWFJFHSA-N 461.635 5.358 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1OC 747112443 WWNBHSCFGYVAIC-MRXNPFEDSA-N 490.368 5.024 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cscn2)c(C)c1 747601552 VSKUOQUTCBTIBE-HXUWFJFHSA-N 468.579 5.060 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1-c1ccccc1 750911189 OWVJGDODXBOAKM-QHCPKHFHSA-N 477.561 5.099 30 20 JKED Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 800370821 NTMBFRFPLLCFFJ-UHFFFAOYSA-N 487.559 6.047 30 20 JKED CCOCCCn1c(NN=Cc2c(Cl)ccc(Cl)c2Cl)nc2ccccc2c1=O 818264427 SDVWLUXXZPJRPS-UHFFFAOYSA-N 453.757 5.229 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(C3CCN(C4CC4)CC3)C2=O)c1 837301427 KLWVGBRKKDGFAE-VWLOTQADSA-N 490.673 5.199 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N([C@H](C)c2cccnc2)C1=O 837423856 JNBXXMYQWADVIJ-NTKDMRAZSA-N 488.613 5.429 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)cc1 838086673 SDFQNOZPEZPMGN-NTKDMRAZSA-N 488.613 5.429 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@@H](C)c1ccccn1 838481522 IZWHKQIHMVECBR-MBSDFSHPSA-N 474.586 5.120 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H](C)c2ccco2)c1 914495608 CYHWKTHNBUISGU-KRWDZBQOSA-N 488.993 5.156 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Br)c2)N([C@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914553578 DVCHZJMHGFGACE-IFMALSPDSA-N 498.446 5.201 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)Cc1ccco1 914692490 ZNWXUSGUGJAVKT-VGOFRKELSA-N 465.550 5.319 30 20 JKED COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc12 915087015 ZEXCATUZFIICRK-LJQANCHMSA-N 460.331 5.847 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc([C@H](C#N)c5ccccc5)cc4)CC3)c2c1C 915087946 YMLSIFXVPZWPMB-XMMPIXPASA-N 481.625 5.819 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 915649666 DEIUBHLBAJERJZ-QFIPXVFZSA-N 496.514 5.527 30 20 JKED CC(=O)N(c1ccccc1)c1nc(C=NNC(=S)Nc2ccc(SC(F)F)cc2)cs1 916306486 MSZRXWPOMZSINW-UHFFFAOYSA-N 477.587 5.463 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1nc(O)c2c3c(sc2n1)CCCC3 916846265 OABIOHPNJLTRQP-MRXNPFEDSA-N 493.976 5.178 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)[C@H](C#N)C(=O)Nc1ccccc1 916898858 IWXWXUXJHCWWGF-QAPCUYQASA-N 488.594 5.033 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 916903441 SPDQCCNTJXDUJK-RDPSFJRHSA-N 486.959 5.312 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(Cl)c1 916939568 PMKGVUWYWOIAJZ-ZJHLSUJBSA-N 478.751 5.877 30 20 JKED Cc1sc(=O)n(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1-c1ccc(F)cc1 916976549 SEDVUIGBZYMSBP-SFHVURJKSA-N 483.977 5.678 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996360 LMVMXBFNHIOAIJ-CXAGYDPISA-N 456.354 5.346 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997152 RXSXYFPYECLUGI-QGZVFWFLSA-N 468.365 6.581 30 20 JKED Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 917613123 LCEACJANOQBIJM-UHFFFAOYSA-O 465.602 5.705 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 917666834 NNLNQTZIPVCRDR-NRFANRHFSA-N 467.312 5.493 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccc(C)n2)C1=O 917675166 FPQDWKQXVSYGLZ-DEOSSOPVSA-N 488.613 5.339 30 20 JKED COc1ccc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1NC(=O)c1ccc(Cl)cc1F 917938468 MRIQULGGZIBZPO-CQSZACIVSA-N 466.900 5.051 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)C(=O)c1cnn(C(C)(C)C)c1 919699476 NHNZAPJLGBEEAP-OAQYLSRUSA-N 491.573 5.042 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CCCCC2=O)cc1 919910014 GYDKQJNZRSVNSF-UHFFFAOYSA-N 454.530 5.498 30 20 JKED COc1cc(/C=C2\C(=O)c3ccccc3C2(C)C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 920069854 DYWFDGPPZHKDDC-KGENOOAVSA-N 495.497 6.289 30 20 JKED CCOc1cc(Br)c(CC(=O)[C@@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OCC 920106221 VJNWVWXIFOYAAJ-QGZVFWFLSA-N 483.362 5.171 30 20 JKED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc2ccccc2n1C(F)F 920112534 DXGSVPMPJFFUOI-GCJKJVERSA-N 482.490 5.232 30 20 JKED N#C[C@@H](C(=O)Cc1csc(Cc2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 920806979 VDOOMLYJYQZQTP-INIZCTEOSA-N 451.523 5.555 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2cccc(Cl)c2F)cs1 921137994 YINFPKZCDZRDRQ-UHFFFAOYSA-N 456.852 6.085 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)CCO2)C1 1778883464 LBMSYOMWUKESMJ-WVXBCFDCSA-N 485.628 5.026 30 20 JKED CC(C)(C)CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(C#N)cc1)C2 1781929280 XOOXJHIYUKDEHP-VAVYLYDRSA-N 481.681 5.001 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)cc2)CCC1 1787155341 DSPQUAGMZVLXSH-UHFFFAOYSA-N 480.490 5.257 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)CCC2)cc1 1787648391 BUGIIQPDVZSJJQ-UHFFFAOYSA-N 482.565 5.065 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CCC1 1788244294 AFESBEPRTACQQC-LJQANCHMSA-N 460.578 5.036 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(Cl)cc4)CCC3)cc2)c1 1790072800 PKZDTOODPJLANM-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]3(C)C[C@@H]3C)cc2)CCC1 1790425505 JTCAEECDAZNWAT-JCWFFFCVSA-N 469.626 5.026 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@H](F)c4ccccc4)CCC3)cc2)ccc1F 1790520971 FHRRQMNYJIVDPO-RUZDIDTESA-N 459.496 5.085 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)ccn4)CCC3)cc2)c1 1790764618 BLIBMJPNQYYENG-UHFFFAOYSA-N 482.437 5.173 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)CC5)cc3)CCC2)cc1 1790881778 MZGNRIMQOYUYJE-UHFFFAOYSA-N 477.564 5.068 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1 1792036866 BGBVALFQJPFMSX-QFIPXVFZSA-N 481.637 5.170 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4C[C@]4(F)Cl)CCC3)cc2)cc1C#N 1792168818 HKGYVJJKLINGOM-CJFMBICVSA-N 469.944 5.018 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccc(Br)cc1F)C2 1798590689 BZGDAPIRJALIBW-ICYIPGRDSA-N 477.418 5.232 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCc1ccc(F)c(Br)c1)C2 1801643840 RFRIUVHQFPCDEF-RSPOEFSDSA-N 479.434 5.151 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cncc2Cl)[C@@H]1c1cccnc1 1802367477 ZIEMEZAYWMDYCW-UTKZUKDTSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(OC)cc3)CCC2)[C@@H]1c1cccnc1 1802499748 IQMDAAZDNCTSGE-ZEQKJWHPSA-N 489.660 5.210 30 20 JKED CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2c2cccnc2)cc1 1802958925 WNWSXJXXQYQULL-LMSSTIIKSA-N 480.612 5.029 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(F)cc2C(F)(F)F)C3)c1 1803682998 UVHDSRPOTJDJCE-PPRPKMEESA-N 473.470 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)C1 1805454925 LZAWEXCQCMEKAA-UHFFFAOYSA-N 463.647 5.423 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1808887454 CDSVBPPPGZARJB-DGWZTRNLSA-N 451.655 5.462 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(F)c(Cl)c2)[C@H]1c1cccnc1 1811788297 URQYRGSVDINOTI-AUUYWEPGSA-N 486.321 5.059 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(OC(F)(F)F)c2)[C@H]1c1cccnc1 1812050422 HOLFJZWZIVAKLX-LUQKVYGDSA-N 495.929 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@@H]1c1cccnc1 1812128640 GKMHOOZVGNKIHH-XXBNENTESA-N 464.635 5.245 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C2(C(C)C)CCC2)[C@H]1c1cccnc1)c1ccccc1 1813669600 RMLHSVIONNPDFK-KWXIBIRDSA-N 471.645 5.111 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1)c1ccccc1 1814934109 XEFCMNMYDKNRRA-OATJLXFUSA-N 490.629 5.342 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc4c(Cl)cncc4s3)sc2C1 1815847394 ZIBWANDDCOXHOT-KBPBESRZSA-N 487.050 5.400 30 20 JKED Cc1ccc(SCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)CC3)cc1 1818616566 FEERZSOQCRFPMI-FXAWDEMLSA-N 490.654 5.097 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4scnc4c3)n[nH]2)c1 1819151227 ZZELAFKCULQERC-OPAMFIHVSA-N 484.585 5.266 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc3ccccc3o2)[nH]n1)c1ccccc1 1819520490 JZDRYLHUSXEUJB-NZQKXSOJSA-N 481.556 5.054 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3F)n[nH]2)c1Cl 1820201914 CUTDTUFJGCQKKE-NRFANRHFSA-N 490.926 5.175 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@](C)(OC)c2cccc3ccccc23)[nH]n1 1821917299 SMKNKZYRIRVASY-LLIYUYTPSA-N 474.605 5.329 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1)C(F)(F)F 1821992620 BUDCQYHDOIMPHS-NRFANRHFSA-N 484.478 5.626 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C)CCCCC3)n[nH]2)cc1C#N 1822334281 LQSYLWIBWJVMNT-JOCHJYFZSA-N 477.609 5.345 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)cc2Cl)[nH]n1 1822393263 PYRMJKVONXPLOH-LJQANCHMSA-N 496.917 5.114 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)[nH]n1 1822584341 KQSSMUAPMBYNTE-VWLOTQADSA-N 471.605 5.128 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccnc4ccccc34)[nH]n2)c1 1823215630 YPCNVUYBQSQBNT-BVZFJXPGSA-N 478.556 5.205 30 20 JKED N#CCc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc4cc(F)ccc4s2)CC3)cc1 1823498686 QWZFUNFGVJYNQJ-SFHVURJKSA-N 490.585 5.103 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)cn1 1823655149 NYTZZUAGDRPUGQ-RSNBEDGSSA-N 493.673 5.113 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(Cl)cc2Cl)CC1 1823673055 QMJHBUCOSVPROG-TZIWHRDSSA-N 464.437 5.390 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCC=C2F)CC1 1824058572 RBZQDRJFQYOKTL-ATIYNZHBSA-N 474.979 5.057 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 1824138240 WWEGSFUKJIMCCI-OAQYLSRUSA-N 464.437 5.390 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1824143590 NVFWHXQQFDAXFO-QFIPXVFZSA-N 492.582 5.504 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ccc(OC)c(OC)c2)CC1 1824810291 MLRUKNQBVSXVKA-XMMPIXPASA-N 484.681 5.249 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2C(F)(F)F)CC1 1824848615 CRJKBEMYNALDFY-IBGZPJMESA-N 496.467 5.349 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)s1 1825164355 JRUWBGPSONTMMO-IBVKSMDESA-N 477.674 5.550 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1827807301 QGZYSCLBDACGOS-XMMPIXPASA-N 479.646 5.263 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4cc[nH]c4c3)CC2)cc1C#N 1828047508 IHKXHDFKNYDAPF-HHHXNRCGSA-N 498.627 5.374 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828098182 XLIXRGDIMRNAKN-URXFXBBRSA-N 465.663 5.606 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828498217 KEEOQSYXBDNQEO-AREMUKBSSA-N 480.052 5.624 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1 1828823140 QDUMSLDULKKILH-UIOOFZCWSA-N 480.649 5.046 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 1830627432 DNLVTPJZOKLKIC-AREMUKBSSA-N 489.019 5.434 30 20 JKED CC(C)=CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C#N)c2)CC1 1830686575 IGHYZFVGJFUTEV-QHCPKHFHSA-N 486.454 5.300 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1 1830725025 XMWXKLYPZVTYNZ-DGWZTRNLSA-N 476.020 5.249 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830979116 SWZFLUYZSQRMQG-QPPBQGQZSA-N 468.663 5.016 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(CCCCC)s2)CC1 1831139811 KIFNAGZMSVQCBE-QFIPXVFZSA-N 475.699 5.092 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2Cl)CC1 1831306853 KSFHYRVRJRPJIY-JPYJTQIMSA-N 481.464 5.137 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccnc4s3)CC2)c1 1832632918 YQIDAELSQKMXNW-NTKDMRAZSA-N 486.641 5.470 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699070 RCVMGTGIKONVAE-CUNXSJBXSA-N 460.618 5.178 30 20 JKED Cc1c(F)cccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832702932 PTNGLACWSTYKCL-AREMUKBSSA-N 491.607 5.340 30 20 JKED N#CC1(C(=O)N2CCCC23CN(C(=O)c2ccc(C4CCCCC4)c(C(F)(F)F)c2)C3)CCC1 1846976138 UTBZLDKQNVFNQH-UHFFFAOYSA-N 473.539 5.264 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2 8629254 ATFMYGORCSPKPP-CSFLBTNFSA-N 483.568 5.027 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174203 WXTSVJXBSGESCO-UHFFFAOYSA-O 479.569 6.164 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2cccc(CO)c2)c1 11113713 VGJAMVGNSVTYST-UHFFFAOYSA-O 473.590 5.449 30 20 JKED C=CCn1c(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)nnc1-c1cccnc1 18405040 BLVDXGMCNWIUNB-UHFFFAOYSA-N 489.215 5.871 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1Cl 20412979 SHHBIYABSJRYCA-CQSZACIVSA-N 477.417 5.416 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)nnc1-c1ccc(OC)cc1 21184935 XWPBUXDZXWSRQD-UHFFFAOYSA-N 499.596 5.123 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 21723130 KBRFFLJDKCTXKA-CQSZACIVSA-N 498.077 6.255 30 20 JKED C=CCOc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cc1OC 25454772 BYIGOAXURWYEOB-UHFFFAOYSA-N 482.330 5.494 30 20 JKED C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 28787673 AXHBEHCMTFDAJC-UHFFFAOYSA-N 462.406 5.153 30 20 JKED COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1OC(C)C 30492667 JUOCVEHSLDIXKU-IRXDYDNUSA-N 455.624 5.362 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 46668004 VTPMAPYTNYAKSV-UHFFFAOYSA-N 453.502 5.050 30 20 JKED C=CCN(CCc1ccccc1)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 60163580 BOKNKNFYCDXQNZ-UHFFFAOYSA-N 456.630 5.390 30 20 JKED C=CCn1c(=S)sc2c(=O)n(Cc3csc(N(C(C)=O)c4c(C)cc(C)cc4C)n3)cnc21 71858292 BRDASKIAMVCWAC-UHFFFAOYSA-N 497.671 5.290 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2o1 302657758 SGHUFONMVCPJTJ-KRWDZBQOSA-N 455.539 5.526 30 20 JKED N#C[C@H](C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1nc(-c2ccc(Cl)cc2)cs1 303193428 KHVAGLHIMDAFJY-CQSZACIVSA-N 469.847 5.628 30 20 JKED O=S(=O)(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1cccc(COCC(F)(F)C(F)F)c1 443438742 FYVQCAKIRVVGDO-QGZVFWFLSA-N 498.420 5.167 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 483368675 CBXDTQYHBOEIFM-DEOSSOPVSA-N 487.550 5.159 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](c4nc(-c5ccc(Cl)cc5)no4)C3)c2)cc1 486653288 PTVZBNSNLCYHIC-OAQYLSRUSA-N 484.943 6.074 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl 487062017 ORWWYRBUJKSFKF-NRFANRHFSA-N 460.921 5.756 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 488652506 CVMGXMFSCARQFE-UHFFFAOYSA-N 486.424 6.112 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccccc3OCc3cscn3)c2)cc1 501449857 OALONSCBEHDYTR-UHFFFAOYSA-N 455.539 5.619 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)s2)cc1 501894023 VCVTYIQBXLDBDB-UHFFFAOYSA-N 486.504 5.159 30 20 JKED CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccc(Cl)cc1Cl 502630603 MXKHUNSTOPLLED-UHFFFAOYSA-N 466.419 5.553 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1CCc1ccc(F)cc1 502855826 KUHMYWUTJOXACW-UHFFFAOYSA-N 461.924 5.210 30 20 JKED C=CCn1c(SCc2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1cccnc1 503670012 AJIYFRXGAVKAQE-UHFFFAOYSA-N 458.572 5.196 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc(Cl)c4c(c3)OCCO4)c2)cc1 505285779 RTEGZYKBAPODPE-UHFFFAOYSA-N 463.921 5.078 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCC)[C@@H](C)c2cc3ccccc3o2)cc1 507767339 OURDJJKTVKAQTD-SFHVURJKSA-N 455.580 5.244 30 20 JKED Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c2cc(Br)ccc2n1 508984621 XOEHNDNELNQHSL-UHFFFAOYSA-N 462.269 5.382 30 20 JKED Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 509215895 ACBAAVAAGVMMSM-UHFFFAOYSA-N 464.934 5.521 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 509848469 BXOGHQPIOWTWQP-UHFFFAOYSA-N 498.583 5.223 30 20 JKED CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 509897943 JNFMAOMPSAUTCD-UHFFFAOYSA-N 451.530 5.181 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1Cl 510023081 JHLBMVJBSOFYJN-XMMPIXPASA-N 472.976 5.422 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3c3cccc4ccccc34)s2)cc1 510606776 DBWRRROPPOZNDM-JOCHJYFZSA-N 471.611 6.224 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1 511008772 FLMIYDPHRYJJGR-UHFFFAOYSA-N 471.605 5.276 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C(=O)c3ccc(F)cc3)n2)cc1 512498498 ISPRPGIPEYAWPQ-JOCHJYFZSA-N 456.498 5.679 30 20 JKED Cn1c([C@H](C#N)C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)nc2ccccc21 513653511 FPDNPFREXBORNW-GOSISDBHSA-N 491.320 5.217 30 20 JKED Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cc2)c(C)c1Cl 513672277 QTOIREYIBZCUKC-QGZVFWFLSA-N 477.977 5.222 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cs2)cc1 514498603 CIMXJGBBKFZYDE-UHFFFAOYSA-N 470.554 5.757 30 20 JKED N#Cc1c(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)sc2c1CCCCCC2 515677768 XXULBPRXFSWPMP-UHFFFAOYSA-N 456.618 5.230 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1NC(=O)c1ccccc1 516269886 BWOPOOXTEBOCCU-QFIPXVFZSA-N 462.534 5.733 30 20 JKED Cc1cc(-c2noc([C@H](C)Nc3cc(C(F)(F)F)ccc3SCCC#N)n2)ccc1F 517460521 IVGYEFQOWCCDHX-ZDUSSCGKSA-N 450.461 6.382 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 517820139 CZINMBBWNWHTJN-AUUYWEPGSA-N 486.786 6.059 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)sc2nc3n(c(=O)c12)CCC3 518323157 OSUNMKIANCWHOJ-UHFFFAOYSA-N 476.945 5.282 30 20 JKED Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4S[C@@H](C)CC#N)c(=O)c23)cc1 518652779 CLFDZOXLOBSQEX-KRWDZBQOSA-N 474.611 5.466 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2sc(C)c(C)c2c1=O 520813415 FNGLXCBACZUBFK-AWEZNQCLSA-N 484.672 5.243 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)CC1 521267160 QLHCHLLZUQVOTO-UHFFFAOYSA-N 483.959 5.281 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 522491734 LVFOZLBXENQRRU-KRWDZBQOSA-N 496.394 5.324 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 556521681 VAOOLKULCOMAHU-IBGZPJMESA-N 467.525 5.350 30 20 JKED Cc1occc1-c1nnc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccccc1 589941016 UIOREXQAWVEVAT-UHFFFAOYSA-N 463.950 5.482 30 20 JKED O=C(c1cnn(-c2ncccc2Cl)c1C(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 593661904 QSSZTGIEYSZLEU-DTORHVGOSA-N 476.755 5.061 30 20 JKED C=CCN(C(=O)Cc1sc(C)nc1-c1ccc(C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459236 FNIKLIVICHZIAR-UHFFFAOYSA-N 490.610 6.220 30 20 JKED C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 603908136 JEPFDKSYQXECIA-SFHVURJKSA-N 494.576 5.315 30 20 JKED Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 603976991 POGWRDATILABSV-HOTGVXAUSA-N 464.635 5.036 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)s2)cc1 604288627 JVJCYDINXJJFGQ-CHWSQXEVSA-N 495.474 5.297 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 604444176 ZPYXZHCOOYSDNK-UHFFFAOYSA-N 480.568 5.492 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604464203 KDTHUGXYKRLZJZ-KRWDZBQOSA-N 482.565 5.598 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1 604569086 RWNYLACIKIYEQM-UHFFFAOYSA-N 479.418 5.211 30 20 JKED CCOC(=O)c1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)sc2c1CCSC2 609054698 IUCOTMDSJJBFEG-UHFFFAOYSA-N 468.556 5.010 30 20 JKED COc1cc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc(OC)c1OC 609062619 TVACOPQCFUFUKR-UHFFFAOYSA-N 460.530 5.043 30 20 JKED Cn1ccnc1SCc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 609073275 FCFSUEFQPIAITN-UHFFFAOYSA-N 454.555 5.415 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CC(=O)Nc1c(C)cccc1C 609078646 FKYYYWJKIVYWOB-UHFFFAOYSA-N 456.546 5.165 30 20 JKED CN(C)c1nc2sc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2s1 609110085 DTNJQUNWINKRBE-UHFFFAOYSA-N 452.536 5.266 30 20 JKED CCOc1ccc(Br)cc1CN(C(=O)c1cc2ccccc2n1CC#N)C1CC1 609175684 VDUCPWMWXZYSIB-UHFFFAOYSA-N 452.352 5.131 30 20 JKED CCC(CC)CN(CCC#N)C(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 609188404 UHLWXCQKTBGFEX-UHFFFAOYSA-N 496.702 5.994 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@H](COc3ccccc3F)c3ccccc3)CC2)c1 609211369 AIHLEDVDICIECO-RUZDIDTESA-N 459.521 5.070 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 609398380 XMVWEJJILFRWAF-HOYKHHGWSA-N 455.587 5.736 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)n1 609405811 FOTJLEWVLUOWTQ-CQSZACIVSA-N 456.955 5.082 30 20 JKED COc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1OCc1ccccc1 609434907 ZPEZXVCZVWJZRD-IBGZPJMESA-N 461.587 5.990 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 609435720 HUGBINBJJYEXIA-UZUQRXQVSA-N 463.990 5.579 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 609437664 IAYPTRGANLTRPI-CVDCTZTESA-N 455.583 5.194 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 609437666 IAYPTRGANLTRPI-XXBNENTESA-N 455.583 5.194 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2OC)c1 615000124 LSXUUEVMWFHNTB-UHFFFAOYSA-N 470.978 5.291 30 20 JKED O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618303350 LMCXQIBRBAIXQV-KBPBESRZSA-N 499.377 5.971 30 20 JKED O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 624635896 SGEMANXCJDGZOQ-RYUDHWBXSA-N 476.364 6.032 30 20 JKED C=CCn1c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1[C@H]1COc2ccccc2O1 645079261 MVBWJBGCOBPFBS-VLYLVFLISA-N 465.619 5.243 30 20 JKED C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726229063 DLFXMMLYIFDTKT-JIPXPUAJSA-N 481.600 5.481 30 20 JKED O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 726292503 XCOVRULQGCYKEI-OCAPTIKFSA-N 484.796 5.183 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/[C@H](C)c1cccs1 726418154 AJIAOFJQDSSVBF-GJUOGHIESA-N 494.642 5.050 30 20 JKED N#Cc1ccc(NC(=S)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1Cl 726464415 CQJVAFHHEGCKTA-UHFFFAOYSA-N 464.978 5.096 30 20 JKED Cn1cc(CCCN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3ccccc3c2)cn1 726738004 NRBPZRFVYDMFEH-VWLOTQADSA-N 497.624 5.166 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 727591971 CFHRWGUFGFPDRF-UHFFFAOYSA-N 461.610 5.205 30 20 JKED N#C[C@H](C(=O)COc1ccccc1OCC(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 727954332 NPNPXQQDZYOUHB-OAHLLOKOSA-N 466.868 5.660 30 20 JKED CC(C)[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccccc1C(F)(F)F 728108502 AEULOSRQDHNEIM-QFIPXVFZSA-N 486.446 5.569 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1Cc1ccsc1)c1cccs1 728428733 BAHFPRPGXJYYBY-CYCDVZIASA-N 480.640 5.271 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc2c(c1)CCC2 728779560 JSNDZIUPXMZYOS-QFIPXVFZSA-N 482.556 5.108 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2scnc2C)c1 729144591 DUMSSCATPJAODF-FQEVSTJZSA-N 464.616 5.174 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c(C)c1 730460262 WCQWNHPOTXRKPK-HXUWFJFHSA-N 475.536 5.835 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cocn3)C2=O)cc1 730718654 NCDOAISGROHBNG-JOCHJYFZSA-N 496.564 5.071 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2cccnc2)c1 730944234 UFXXPYZPFQQKMD-MBSDFSHPSA-N 476.577 5.559 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 731026379 JDNHAVMNNKZTAA-UHFFFAOYSA-N 474.646 5.335 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 731063287 QKVJKHVETANKSC-QGZVFWFLSA-N 492.984 5.618 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1 731064285 VMOBADBNHCQBCX-IBGZPJMESA-N 493.629 5.281 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2ccccc2)cc1 731071130 LVGKPDCMASUWPJ-GOSISDBHSA-N 473.554 5.129 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c[nH]cc1-c1ccc(Cl)s1 731074855 TXFWXHDGEBPVOE-ZDUSSCGKSA-N 459.980 5.444 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2cccs2)cc1 731305737 ORIZUDOYSSGIRJ-AOMKIAJQSA-N 495.626 5.054 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 731352008 JVVSRWVYLFSGRN-PMACEKPBSA-N 472.614 5.622 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)CC2)ccc1Cl 745100809 WCSOGBJIAZEMAQ-QGZVFWFLSA-N 481.445 5.637 30 20 JKED CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 747001573 LJYSHFMGUOJVTM-OAQYLSRUSA-N 463.940 5.512 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cscn3)C2=O)cc1 747600380 QHRSCLALRBCNMZ-JOCHJYFZSA-N 492.626 5.123 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cnc(-c3ccccc3Cl)s2)cc1 747951891 FURICEZWXXILRD-MRXNPFEDSA-N 453.951 5.264 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(Oc3ccccc3)nc2)C1=O 749442589 AYGMEXMWRUUYRG-XMMPIXPASA-N 496.592 5.295 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N([C@H](C)c2cccnc2)C1=O 837285161 LJKUBKGHUUWASN-AUSIDOKSSA-N 488.613 5.429 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2ccccc2F)cc1 838040828 LVZFGFLVZFKCCL-QHCPKHFHSA-N 495.551 5.176 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3ccccn3)C2=O)c1 838239613 UOBCMJDXSRUKJV-GAJHUEQPSA-N 492.576 5.259 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3OC)N(Cc3ccco3)C2=O)cc1Cl 838513612 JYSKDGBUWUVWTB-NRFANRHFSA-N 499.976 5.111 30 20 JKED CON=Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 844144666 OFYGWUXNJYJLID-NRFANRHFSA-N 452.436 5.081 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)Nc2ccc(Cl)cc2)cc1 912822592 IOJPHEREOXXXDO-UHFFFAOYSA-O 495.068 6.310 30 20 JKED CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl)[C@H](C)c1ccc(C#N)cc1 914509573 QTZUTNXCUMOIJJ-MRXNPFEDSA-N 485.968 5.375 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1F 914541335 QAKAFVOSVOFTMR-HSZRJFAPSA-N 495.551 5.272 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1 915085679 AGEDEQPAUXOABM-MHZLTWQESA-N 481.577 5.073 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC(F)F)cc1 916209994 XQNFCBOGEFTKGZ-KRWDZBQOSA-N 499.461 5.453 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccco2)C1=O 916212688 PUIKJXXSZUJZKT-OAQYLSRUSA-N 483.977 5.411 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2C(F)(F)F)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 916229893 QZLCTILXITWUFF-CQSZACIVSA-N 496.725 5.914 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)c2)cc1 916449239 ANTHSMANIOHWDE-SDNWHVSQSA-N 479.580 5.222 30 20 JKED COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)CSCc1ccc(C#N)cc1 916879381 UFUPBYXWGSHUBO-UHFFFAOYSA-N 482.561 5.811 30 20 JKED N#C[C@H](C(=O)CCCOc1cccc(Br)c1)C(=O)Nc1ccc(SC(F)F)cc1 916886095 DEZUPCSOSLNRGC-QGZVFWFLSA-N 483.334 5.270 30 20 JKED Cc1cc(C)cc(-n2ccnc2SCC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 916887997 SAKRLRYICCMDHP-IBGZPJMESA-N 486.569 5.244 30 20 JKED Cc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1C 916928926 YRXAIHATFJQQIQ-QGZVFWFLSA-N 473.385 5.236 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 916954496 IJDDMBPFQOYCKN-MBSDFSHPSA-N 465.557 5.593 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997553 WJKKAQCVFDSADW-QAPCUYQASA-N 490.437 6.050 30 20 JKED CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917045906 CJTUZPHTQFVYGH-VJSUZARMSA-N 470.038 5.483 30 20 JKED CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)CCCC3)cc1 917612497 USJDVTNDZXWFLP-UHFFFAOYSA-O 482.673 6.951 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccsc2)c1 917667334 UJNZNUAXJAGEJR-QFIPXVFZSA-N 479.627 5.534 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CCN(CC3CC3)CC2)C1=O)Nc1ccccc1 917678779 JNYPDZGVENFIAO-QHCPKHFHSA-N 497.064 5.175 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(F)c1 917687922 XNTPZEQGGWSXJW-IBGZPJMESA-N 497.514 5.150 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 920355468 MVFDKJLBXDTIBR-HXUWFJFHSA-N 468.966 5.105 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)C1 1778914979 JJSYUYBZZGLYPX-UFHPHHKVSA-N 498.067 5.317 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)C2)C1 1779954510 PJZZUEKEJCMPIE-PMERELPUSA-N 485.628 5.042 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1 1786287985 LJKLPTOELKDTFB-IPISDEMTSA-N 461.587 5.013 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Oc4ccccc4)cc3)CCC2)cc1 1786360229 HPFXAHHCRYEDES-NRFANRHFSA-N 468.553 5.265 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(CCCCC)s3)CCC2)cc1 1786373881 QLVHMWVWWSUYJD-SFHVURJKSA-N 455.624 5.215 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCCCC4(F)F)cc3)CCC2)cc1 1786465757 VBFFURDEGFZIEH-QFIPXVFZSA-N 451.517 5.326 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cnc(-c4ccccn4)nc3)cc2)CCC1 1787006698 VEEBDOPNYSSXJW-QHCPKHFHSA-N 467.573 5.055 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Br)c(C#N)c4)CCC3)cc2)c(C)o1 1787345885 HGBGUJXHIPHWOD-UHFFFAOYSA-N 492.373 5.592 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C2(NC(=O)/C=N/N3CCCCC3)CCC2)cc1 1787390875 YKMFFNAXTRWFGL-MTDXEUNCSA-N 464.610 5.105 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccncc4C(F)(F)F)cc3)CCC2)cc1 1788786059 SBWNJEZAVADWPW-UHFFFAOYSA-N 492.501 5.353 30 20 JKED Cc1nc[nH]c1CSCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1789467529 YMKAEHAPGLLRPO-SFHVURJKSA-N 487.629 5.026 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)c3cccc(OC4CCOCC4)n3)cc2)CCC1 1789962713 CCVCQRXRAUYWMP-UHFFFAOYSA-N 489.616 5.156 30 20 JKED Cc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)sc1C 1789984786 LUVZMSOBAKJOQP-MRXNPFEDSA-N 458.587 5.449 30 20 JKED CC1(C)CCc2cccc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)c[nH]5)cc4)CCC3)c2O1 1790144445 MPSSCGJRFIOGGR-UHFFFAOYSA-N 468.557 5.051 30 20 JKED CCSc1cccnc1C(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1790210323 QLXQVQHVDSAJOL-UHFFFAOYSA-N 474.561 5.266 30 20 JKED CCOc1ccccc1C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(F)c(C#N)c3)CCC2)cc1 1790240968 RVHPWNWNQNIVDY-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]3C3CC3)CCC2)cc1 1790519528 DUTJERFEIOHGPZ-VJBWXMMDSA-N 481.637 5.026 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)C3(c4cccc(Cl)c4)CC3)CCC2)cc1 1790568664 XQAYDEMXILWXIU-GOSISDBHSA-N 467.997 5.307 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(N4CCOCC4)c3)cc2)CCC1 1790687804 QZURVMJJVWOMJZ-SANMLTNESA-N 473.617 5.039 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)C[C@@H]4CCCCO4)CCC3)cc2)ccc1Br 1790744527 KNSBEPBSRGUBAT-NRFANRHFSA-N 496.405 5.028 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](N)c4cccc(Cl)c4)CCC3)cc2)c(Cl)c1 1790767171 LXFCVSMGWUTSET-QHCPKHFHSA-N 493.394 5.313 30 20 JKED CC(C)(C)C(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)C4(C#N)CCC4)cc3)CCC2)cc1 1792233961 AEPVMKVAONBGHS-UHFFFAOYSA-N 472.589 5.113 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cc4ccccc4o3)CCC2)cc1 1792240560 LMCCJGKYUUGFBG-UHFFFAOYSA-N 465.509 5.131 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccccc3c(Cl)c1OC)C2 1798335684 QYOXYXICCWMLRM-PLACYPQZSA-N 467.009 5.522 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1Cl 1800413309 FRYWJIAVYBDHRT-BCDXTJNWSA-N 454.920 5.379 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C(C)(C)C)nc3)[C@@H]2c2cccnc2)c1 1802343897 XDGFJCUENHQELO-MHLNXUHPSA-N 495.627 5.035 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(-c4ccc(Cl)cc4)no2)C3)c1 1803679631 SNQHOUASICEJMH-YWQVJIEVSA-N 488.975 5.188 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2cc(F)ccc2Cl)[C@H]1c1cccnc1 1804059377 MWHMCZAUEFSAFF-YADARESESA-N 472.004 5.115 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1804179423 PPMHFILXRKLFLT-PWUYWRBVSA-N 487.669 5.101 30 20 JKED CC(C)[C@@H](C(=O)N1CCC2(CCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1)c1ccccc1 1804755427 VJXDPLNLKOYAEF-MUUNZHRXSA-N 471.645 5.162 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccnc(C(C)(C)C)c3)[C@@H]2c2cccnc2)c1 1804863014 YOAWFKVMTHWELT-RAHIQWLESA-N 495.627 5.035 30 20 JKED C=C1CC(C(=O)N2CCC3(CCCN(C(=O)COc4c(Cl)cc(Cl)cc4Cl)C3)CC2)C1 1805245956 SCCAFACSSSAFEJ-UHFFFAOYSA-N 485.839 5.223 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 1806678808 SGEGIXXDJXYADZ-UHFFFAOYSA-N 474.976 5.123 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccnc1 1807154576 ZHEFGVBVCOXUMS-XXBNENTESA-N 470.013 5.056 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)/C=C/C2CCCC2)[C@@H]1c1cccnc1)c1ccccc1 1808494068 XGHGBRDJKNJSMA-GIRNKXDNSA-N 469.629 5.031 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccnc1 1810505037 LHJUBDPIFZLEOC-LAUBAEHRSA-N 475.420 5.095 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2c2cccnc2)s1 1811722308 LXAVTGKEPUTGBA-NTKDMRAZSA-N 490.604 5.085 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1812303095 QSNMGNQSGBUXBM-JDRJUVJTSA-N 467.569 5.513 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)CC1 1812788633 LAHXQXUWSPTRIN-XEDGMNADSA-N 486.660 5.635 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc4c3CCCC4)[C@@H]2c2cccnc2)c(Cl)c1 1813881239 SLCHYZFNPWDIKA-AMGIVPHBSA-N 499.014 5.119 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2F)[C@H]1c1cccnc1 1813966059 ZQKJBNHKAMEMHO-XMSQKQJNSA-N 491.529 5.552 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2CCC(C(F)(F)F)CC2)n[nH]1 1815523912 BGEPEUQYKJHHKO-ZZVGESKWSA-N 466.548 5.539 30 20 JKED Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1815563094 DTCVVJXLYBVUCQ-CJFMBICVSA-N 469.589 5.284 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1818291519 QHUCEAVXYSPCQK-XOBRGWDASA-N 499.493 5.577 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc4cccnc34)n[nH]2)c1 1818484664 MRDDHFCSXISFTG-MHECFPHRSA-N 478.556 5.205 30 20 JKED C#CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)sc2C1 1818932114 YBJXLWHIGCOFAL-MRXNPFEDSA-N 488.535 5.063 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3cc(Cl)ccc23)n[nH]1 1819162504 WJMOKXGHYUXXJK-HXUWFJFHSA-N 466.973 5.014 30 20 JKED C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]1 1819386282 GTRBNQXZWPRTFD-CTNGQTDRSA-N 497.741 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c(CC)nc3ccc(Cl)cn13)CC2 1819597636 GJYJAEAQBXOMFV-IAGOWNOFSA-N 498.052 5.001 30 20 JKED Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1821108533 WCRAYGXVPGBQFG-GAJHUEQPSA-N 459.525 5.104 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1821986986 XRXNYMJSQDXKIH-GNISGLHKSA-N 454.477 5.073 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccccc2Br)n[nH]1 1822514180 GABDDBXEUONSRI-WZLNFYFKSA-N 471.399 5.090 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(Cl)cc3F)n[nH]2)c1 1823304216 RLSAOUDGBOHVFS-FQEVSTJZSA-N 486.334 5.347 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 1823309305 NDEYZYCANNGOCK-IBGZPJMESA-N 480.918 5.581 30 20 JKED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)[nH]n1 1823421080 NTCLAKPOZSDHCW-HSZRJFAPSA-N 462.500 5.074 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc1 1823813215 SVMRNWZHDKDSQP-DEOSSOPVSA-N 489.616 5.388 30 20 JKED C=CCCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cnccc4c3)CC2)c(O)n1 1825625085 CKDYJJAAUOLVJA-MHZLTWQESA-N 498.627 5.001 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 1826419725 UZQSRCGPVNFNES-ULDOEVFSSA-N 454.655 5.027 30 20 JKED Cc1oc2cc(O)ccc2c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1828218678 NZNGACNYTGMVLP-NIYFSFCBSA-N 499.611 5.621 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2CCc3cc(OC)ccc3C2)CC1 1828422129 NZIBEGHSNRVPOL-FIPFOOKPSA-N 478.677 5.004 30 20 JKED C[C@@H]1CCC[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1828485379 CPRJRJNFXKBDAN-ZQMYSKGWSA-N 475.555 5.247 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3Cl)CC2)C1 1829657060 HDHOKMLBTYTZLC-NRFANRHFSA-N 466.956 5.141 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)CC2)c1 1829776175 XLBKHTKUGOHVDF-MUUNZHRXSA-N 498.602 5.163 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)c1Cl 1829862800 GCPSZLHULIRFEB-IBGZPJMESA-N 460.361 5.005 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(Cl)cccc2Cl)CC1 1829900367 HWXAOTWPURAYRJ-ICSRJNTNSA-N 457.467 5.181 30 20 JKED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC2CCC(c3ccnc4ccc(F)cc34)CC2)CC1 1830172081 KERQCDLAZOASSF-HVKFLMNHSA-N 489.635 5.291 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1830414058 CZWDBGWQOLNFRQ-GJZUVCINSA-N 490.648 5.091 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OCC)CC1 1830604073 KLHHSHAHPYNOCQ-UPVQGACJSA-N 473.057 5.740 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c2[nH]1 1830628525 KFMURQJUQJDRLF-SANMLTNESA-N 468.601 5.090 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 1830720708 WAAROHZJUROYSD-IBGZPJMESA-N 476.429 5.474 30 20 JKED CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1)c1ccc(Cl)cc1 1831308324 WKSMCJLLOXJGAF-PZEDFRCZSA-N 498.067 5.411 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1)C(F)(F)F 1831453456 XLAOYGJWQGDYTI-HSZRJFAPSA-N 471.523 5.100 30 20 JKED Cc1cc(F)cc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1831953582 FMMCRBIZTLKBME-ZBLYBZFDSA-N 475.608 5.237 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cc(O)ccc4n3)CC2)c1 1832631234 BGEXZGNLAZZLFR-PIIWDFAUSA-N 496.611 5.115 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)cc1C#N 1832704755 SGZZHMPLNHIBRC-SANMLTNESA-N 499.611 5.639 30 20 JKED O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1)c1ccc(F)c(F)c1 11128705 OJOJSDHFDZXPHP-UHFFFAOYSA-O 453.412 5.028 30 20 JKED CCOc1ccc(-n2c(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)nnc2-c2ccccc2)cc1 11197310 AGAGWHRNKINZFI-IBGZPJMESA-N 475.618 5.156 30 20 JKED C=CCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 11382726 KHUDYEKYXDSDCT-UHFFFAOYSA-N 492.651 5.411 30 20 JKED CC(C)c1ccccc1-n1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1cccnc1 15184027 AOJOAWNPRGDPLT-UHFFFAOYSA-N 454.559 5.055 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)o2)cc1C 16657897 KKTARCQUDFEUTG-UHFFFAOYSA-N 471.586 5.423 30 20 JKED Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c(C)c1 16792739 LXVDNTPAKDOVHT-IBGZPJMESA-N 487.581 5.090 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccnc1 18404973 ILCNWUKFKFISOX-GOSISDBHSA-N 457.559 5.438 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)n1 26143634 BQCILKRWSYBPHF-MRXNPFEDSA-N 455.505 5.991 30 20 JKED COc1cc(C)c(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1OC 26531931 TWQLKHMEHVSBDC-LJQANCHMSA-N 456.951 5.122 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(NC(=O)C(C)C)c2)nnc1-c1ccc(Cl)cc1 31919689 AQLDTKSFUFSOOG-UHFFFAOYSA-N 469.998 5.110 30 20 JKED CN(Cc1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CCCCC1 32967873 YGXKGQNYMCKWRN-UHFFFAOYSA-N 487.604 5.426 30 20 JKED Cc1sc2nc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)n(C(C)C)c(=O)c2c1C 36817801 ZZTWPNFECWSZIP-QGZVFWFLSA-N 454.621 5.083 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(N[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 72074650 FWLLXIGUDFWKMX-HXUWFJFHSA-N 470.573 5.789 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 105708414 UWAXEAMTAZYGSP-MOPGFXCFSA-N 497.068 5.279 30 20 JKED COc1cc(CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1OCC(F)(F)F 109920271 BTBILGJLCPXWHD-UHFFFAOYSA-N 454.448 5.002 30 20 JKED N#Cc1ccc(NC(=O)CCSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1Cl 115413896 MALASKGCIQRHLG-UHFFFAOYSA-N 474.977 5.034 30 20 JKED COCCc1ccc(Oc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cc2)cc1 303279554 JPMSIDLNXVLRIH-UHFFFAOYSA-N 468.509 5.964 30 20 JKED CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccs1 481202932 SHYHGZNXFRMYLL-DEOSSOPVSA-N 479.577 5.570 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)CC1 491313004 RLQKUTGDFCGNPX-UHFFFAOYSA-N 462.500 5.160 30 20 JKED C=CCn1c(SCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccc(F)cc1 497685216 CFYMLCJXRJFQGX-UHFFFAOYSA-N 495.893 5.210 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccc(Br)cc1 501607049 PAXLXNFHZRUMMU-GFCCVEGCSA-N 495.805 5.805 30 20 JKED Cc1ccc(F)cc1NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502920618 ULRGGFAXPLGSMW-UHFFFAOYSA-N 466.744 5.658 30 20 JKED N#Cc1c(NC(=O)c2cc(F)ccc2I)sc2c1CCCCCC2 508958818 LDQBGFFSXPBVLJ-UHFFFAOYSA-N 454.308 5.275 30 20 JKED O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 510132138 SJRPETGJOGAEIF-UHFFFAOYSA-N 483.347 5.487 30 20 JKED Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Br)cc1 513659145 CWSIVOFBLCRXKF-SFHVURJKSA-N 473.330 5.376 30 20 JKED CCOc1ccc(Oc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2)cc1 513843975 LUNVKXVEXPHEOR-UHFFFAOYSA-N 498.539 5.852 30 20 JKED Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513873013 QYHHDINDJDQDBI-UHFFFAOYSA-N 484.575 5.913 30 20 JKED CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C(C)C)cc1 515887207 SZVOGJRVFIJCHP-OAQYLSRUSA-N 461.484 5.075 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 516270306 RIVAYXDBPBXHNT-LJQANCHMSA-N 458.543 5.667 30 20 JKED COc1ccc(C2(CNC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)CCCCC2)cc1 520194308 ORSURKJISPUVIJ-LJQANCHMSA-N 465.619 5.046 30 20 JKED COCCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 521206204 OUBHQCKFMOQEJD-AWEZNQCLSA-N 489.416 5.760 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(Br)cc1 521499118 WYFJAXLYOANRGM-HSZRJFAPSA-N 478.346 5.319 30 20 JKED Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 521512789 KVUXKNRVDMAQNB-UHFFFAOYSA-N 479.989 5.518 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 522328781 ZNHGFMNTDXRRFL-UHFFFAOYSA-N 457.427 5.508 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3c[nH]nc3-c3ccccc3)s2)c(C(F)(F)F)c1 524234266 DQFKAFIEAOEGDB-UHFFFAOYSA-N 453.449 5.267 30 20 JKED O=C(NCc1ccccc1Oc1cccc(F)c1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 594837256 SJCNEBQRLPWPHF-GASCZTMLSA-N 464.381 5.890 30 20 JKED C=CCN(C(=O)c1nnn(-c2cccc3ncccc23)c1C)c1nc(-c2ccccc2)cs1 595899166 BZRRRIJTYSTNRZ-UHFFFAOYSA-N 452.543 5.080 30 20 JKED C=CCN(C(=O)Nc1ccccc1-c1nc2ccccc2s1)[C@@H](C)c1cccc(-n2cnnn2)c1 596340527 YYBWELMRXDEVEJ-SFHVURJKSA-N 481.585 5.720 30 20 JKED CCOC(=O)c1sc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c(C#N)c1C 603750482 RUYYBIOZCDFIQQ-UHFFFAOYSA-N 486.347 5.307 30 20 JKED Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1-c1cccc(C(F)(F)F)c1 603765711 ZSVUDTIUSKWYAC-UHFFFAOYSA-N 463.419 5.511 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(COCc3ccco3)c2)cc1Cl 603812860 WDLKIPKNOGIZSG-AREMUKBSSA-N 485.971 6.627 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)o1 608965584 ZQJXTTUPTAMEQH-QFIPXVFZSA-N 457.313 5.251 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)c2)cc1 609209015 SOKGUFJYQALEJB-RUZDIDTESA-N 486.959 5.984 30 20 JKED Cc1nc(NC(=O)c2cc3ccccc3n2CC#N)sc1-c1nc2ccccc2n1C(F)F 609215679 IJCDQFWENHBVCL-UHFFFAOYSA-N 462.485 5.594 30 20 JKED C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)S(=O)(=O)c1ccc(F)cc1 609378662 XTXOWOCSCOWKER-ZDUSSCGKSA-N 474.501 5.041 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)n2)cc1 613319092 NHCHHKKEMNYCHO-RCZVLFRGSA-N 479.561 5.551 30 20 JKED Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)no1 613346655 MWMZBAZDCNZWTC-MRXNPFEDSA-N 485.352 5.877 30 20 JKED N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc2cc(C(F)(F)F)ccc2s1 613404037 NDYOFXLXOMSWAB-AWEZNQCLSA-N 456.470 6.426 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 616847193 QDKCIIMHIKLHAH-UHFFFAOYSA-N 456.514 5.094 30 20 JKED O=C(c1ccccc1Nc1ccc(OC(F)F)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 620242627 LQDIZWPFPZIGBD-CHWSQXEVSA-N 482.371 6.235 30 20 JKED O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 624855113 UUIGNEHSRQIXPC-MUQADHOPSA-N 490.410 5.467 30 20 JKED C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1[C@H]1COc2ccccc2O1 645077669 FKAVLJDGWBGQDG-OAQYLSRUSA-N 478.599 5.401 30 20 JKED C=CCn1c(SCC(=O)Nc2ccnn2CCC(C)C)nnc1-c1ccc(Cl)cc1Cl 680532989 AMMAVQRTPKIIQK-UHFFFAOYSA-N 479.437 5.411 30 20 JKED COc1ccc2cc(C(C)=NNc3nc4ccccc4c(=O)n3CCCOC(C)C)ccc2c1 725842897 MDADNIRIHDMMNW-UHFFFAOYSA-N 458.562 5.210 30 20 JKED C[C@@H](OC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)N(CCC#N)c1ccc(F)cc1 725995738 KKFWEDJYNPWROT-CQSZACIVSA-N 491.466 5.460 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc([C@H]3C[C@@H]3C)o2)cn1 726114071 USVARTOWOUHAQD-JWNTYJGQSA-N 491.617 5.088 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1)c1cccs1 726420675 MEOGRXZFUDPDBY-NDKFBNENSA-N 494.598 5.246 30 20 JKED C[C@@H](NC(=O)COC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 726691252 AUJBJDTVOJRNLU-CQSZACIVSA-N 473.312 5.071 30 20 JKED CC(C)(C)Sc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 726760067 ISOIQYOGCOBLNV-UHFFFAOYSA-N 450.564 5.552 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(OCCCC#N)c2)NC(=S)N1C 726763054 CWXQSWHETYGBSG-OAQYLSRUSA-N 488.535 5.162 30 20 JKED C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(C(F)(F)F)cc1 728322636 LDIQVDFISJPPAI-AWEZNQCLSA-N 459.424 5.346 30 20 JKED Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)o1 728668199 PGNDVDKLHYPNOG-UHFFFAOYSA-N 478.464 5.721 30 20 JKED COc1ccc(-c2nc(SCc3csc(COc4ccc(Cl)cc4)n3)nc(O)c2C#N)cc1 728703643 JYHKBWHORAMGTA-UHFFFAOYSA-N 497.001 5.711 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(Cc3scnc3C)C2=O)c1 729145417 KXDGHNVCJCBLRW-FQEVSTJZSA-N 499.061 5.882 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC 729426927 BONOMBKHDJCRMG-MWWKQMNYSA-N 458.358 5.136 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 729655441 NXZLQLAPKWFSMN-UHFFFAOYSA-N 478.471 5.213 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C#N)cc3F)C2=O)cc1 729818512 WGNPBSUIXBSEGR-DEOSSOPVSA-N 497.555 5.038 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c1 730444794 PKABBNDRBPOWSN-HSZRJFAPSA-N 494.592 5.250 30 20 JKED CCc1cccc(C)c1NC(=S)NN=Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 730574917 DYTRTGSZQYNJQX-UHFFFAOYSA-N 472.039 5.672 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cccs2)C1=O)Nc1cnccn1 730710823 SJPIFRACQYDDCJ-MRXNPFEDSA-N 492.413 5.005 30 20 JKED COc1cc(-c2cc(C(=O)Nc3ccccc3SCCC#N)c3ccccc3n2)cc(OC)c1OC 730982035 IHJXEHXYEABNHW-UHFFFAOYSA-N 499.592 6.186 30 20 JKED COc1cc(/C=C/C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1OCc1c(C)noc1C 730995876 VUBJAKQGWQERKG-DPCFLFMUSA-N 477.586 5.783 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2cccnc2)c1 743525357 PTNHCXXXCFPRGY-NTKDMRAZSA-N 490.604 5.867 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccnc2)n(-c2ccccc2C(C)C)c1=S 746050516 NOOXAVSURZSODG-UHFFFAOYSA-N 498.656 5.566 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2nccs2)C1=O)Nc1ccccc1F 747598851 FNFYIIMOVYXYHK-GOSISDBHSA-N 488.997 5.139 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 750705445 LABMAAMCTWGOSW-AZUAARDMSA-N 494.592 5.516 30 20 JKED C=C(C)CNC(=S)/C(=C(/O)c1ccc(C(F)(F)F)cn1)[n+]1ccc(C(CC)CC)cc1 804603384 FAZJYQGAJKDYJX-UHFFFAOYSA-O 450.550 5.668 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 837480453 HTCWWRUCNQFRQE-QVKFZJNVSA-N 482.968 5.596 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@H](C)c2ccccn2)cc1 837870652 VPMPEJPVYPMJKW-OPAMFIHVSA-N 480.540 5.390 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cs2)cc1 915085094 GABSVFMZFVRFBS-VWLOTQADSA-N 453.567 6.045 30 20 JKED N#C[C@@H](C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915103612 ZGLXGWFCPRIBJJ-VZNQONPJSA-N 486.641 5.204 30 20 JKED O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1sccc1Br 915113636 RNRUGUGARCQDDI-HJWRWDBZSA-N 450.361 5.714 30 20 JKED N#CC(CCOC(=O)c1ccc(CN2CCCCC2=O)cc1)(c1ccccc1)c1ccccc1 915442608 OZWYBTHSVAJDFL-UHFFFAOYSA-N 452.554 5.256 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C\c1csc(-c2ccccn2)n1)C(=O)c1ccccc1 915987329 CZBZTJMDNABCNV-QJOMJCCJSA-N 467.594 6.235 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 916204308 BUWJBCXIDJKUCB-QHCPKHFHSA-N 457.555 5.050 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3ccccn3)C2=O)c1 916206762 ROSRMCKXFKOAQT-DEOSSOPVSA-N 488.613 5.374 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(SC(F)F)cc3)N(C3CC3)C2=O)c1 916217732 WARLOBWAERDSHS-SFHVURJKSA-N 477.558 5.133 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1cccc(NS(C)(=O)=O)c1 916708722 IBPMEUOWZFGUPR-AOMKIAJQSA-N 482.993 5.250 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 916887888 RSRFBHYTQTUNSI-CQSZACIVSA-N 482.352 6.000 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c1 916891404 WAQHCUKQUBVGCT-HXUWFJFHSA-N 478.961 5.078 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 916915264 HTJFSFZNANEWGL-FQEVSTJZSA-N 494.016 6.266 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1Cl 916937428 BVLWQKLPUOLDNX-OAHLLOKOSA-N 489.778 5.801 30 20 JKED COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 917262160 NQAFIPJHWSHFPX-VWLOTQADSA-N 460.555 5.032 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1 917424078 AYNWUEYKHNPVDH-INIZCTEOSA-N 455.898 5.063 30 20 JKED COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1CC(=O)O 917559152 FDTLBZBKTVYOHF-RMKNXTFCSA-N 470.934 5.013 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(C3CCN(CC4CC4)CC3)C2=O)cc1 917665023 QJENZPFVWKYFKB-RUZDIDTESA-N 490.673 5.138 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)(C)C)CC2)cc1 917683297 UZNXSUYABLIDHB-QHCPKHFHSA-N 496.652 5.357 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccnc(C)n1 917687019 LAMRKGGDQWSXNR-QFIPXVFZSA-N 494.020 5.161 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C(C)C)c2)n1 917715493 ZHGVXHMUDSDJAC-QHCPKHFHSA-N 473.602 5.069 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(F)c(F)c1 920356558 QEWJXIIPPCDBKK-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 921249673 MTVGEEWFYJRAHB-RSJGLCBASA-N 483.688 5.737 30 20 JKED N#Cc1ccccc1Oc1ccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)cc1Cl 929071001 UHTJSDBTJDZLPW-UHFFFAOYSA-N 482.971 5.642 30 20 JKED Cc1c(O)nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc1-c1ccccc1 1643840786 WOGWXYNZBIAPLD-HNNXBMFYSA-N 450.589 5.283 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc(Br)c4OC)CCC3)cc2)C1 1785808019 FRUYSHGKCLJDSP-UHFFFAOYSA-N 469.379 5.172 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)COc4c(Cl)cc(Cl)cc4Cl)cc3)CCC2)CC1 1786005374 HTGXVCSUJNAOCM-UHFFFAOYSA-N 492.790 5.463 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCc5ccccc5[C@H]4O)cc3)CCC2)c1 1786176110 XIXHLJQWSHWQPV-MVCUUDKNSA-N 493.607 5.357 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)/C=C/c3ccc(OC)c(OC)c3OC)cc2)CCC1 1786199489 HGZPTBHIBNHVLJ-XLCPLWEUSA-N 478.589 5.072 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)ccc5c4OCO5)cc3)CCC2)c1 1788988970 JDTCMIXCRBNOCK-UHFFFAOYSA-N 491.906 5.141 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1789211687 IQRASIVHVKJEHQ-WTIAFYNJSA-N 483.653 5.416 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(-c4ccccc4)c(F)c3)[C@H]2C1 1789286364 ZUMINLISAGCMEE-GVUKDKGQSA-N 478.608 5.078 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccncc3Cl)cc2)CCC1 1789730862 ZBIFAPNJTUQRMO-UHFFFAOYSA-N 468.073 5.534 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(Cl)c4OC)CCC3)cc2)c1 1790076897 TWUDEAZXGYVVCG-UHFFFAOYSA-N 489.959 5.290 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@H](C)c4ccccc4)CCC3)cc2)c(C#N)c1 1790474875 JSEQDXMIPHPRCK-HXUWFJFHSA-N 467.569 5.047 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CCC2)cc1 1790511600 UQYYXKXSFJQVGF-TUACAJSNSA-N 466.622 5.236 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cs3)CCC2)cc1 1790568270 PUGVMMBBUPFPCQ-CQSZACIVSA-N 478.412 5.059 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(Cl)c4)CCC3)cc2)c(Cl)c1 1790764211 PQZTWYUWSPHUKC-UHFFFAOYSA-N 465.340 5.322 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)c[nH]4)CCC3)cc2)c1 1790794993 LXADVSXPMJENGP-UHFFFAOYSA-N 466.463 5.275 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnc4ccc(Cl)cc4c3)cc2)CCC1 1790870863 CRIZPQXNDDFLHX-KRWDZBQOSA-N 478.980 5.437 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cc[nH]c4nccc3-4)CCC2)cc1)c1ccc(O)cc1 1791646394 SOWLKHXKKWCSKF-OAQYLSRUSA-N 492.579 5.165 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](C#CC)c3ccc(O)cc3)cc2)CCC1 1791646760 UKPCPMFIWVARNY-HSZRJFAPSA-N 474.601 5.006 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4nc5ccccc5[nH]4)CCC3)cc2)c1 1792123427 AADAELPWSTUTER-SFHVURJKSA-N 463.541 5.251 30 20 JKED CC(=O)Nc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)c1 1792124348 UZSUWGFWJQWRLL-LJQANCHMSA-N 480.568 5.334 30 20 JKED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CCC(c3ccc(Cl)cc3)CC1)C2 1793606224 IOVLDFLXMZZYBF-DJDCMSNXSA-N 463.087 5.206 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2 1798334091 XARXGDSCFDEVGJ-LRSLUSHPSA-N 452.982 5.620 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 1799295964 NMMPSRCFELFKAG-BCDXTJNWSA-N 487.978 5.230 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cc(C)cc(C#N)c3)C4)ccc21 1799316913 AMPNUDSTMVBEHP-QEIWAGNOSA-N 490.607 5.560 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](C)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 1802828935 DYUUEIAPOJDDNB-CKUXNOBLSA-N 468.041 5.537 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3ccncc3-c3ccccc3)CC2)C1 1804865625 ZFHDXLSTXMYKDI-UHFFFAOYSA-N 459.634 5.586 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)C1 1805457534 CQPMBIUINBQMQR-UHFFFAOYSA-N 466.519 5.458 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808418654 GANUGTQOHAUIED-FXKPEZSLSA-N 495.604 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc[nH]c3cc2Cl)[C@H]1c1cccnc1 1809397433 VGFJHYWPFODURS-PXDATVDWSA-N 477.008 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810172490 BOUZODXEYHBVSY-UPRLRBBYSA-N 480.612 5.232 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1810177282 CUPYSUSRGNHMRY-NLDZOOGBSA-N 479.624 5.837 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@@H]1c1cccnc1 1810500308 OCRKUZVDCHLZGC-UKILVPOCSA-N 489.660 5.497 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1810503086 NZTNCAICSPKNCV-NZQKXSOJSA-N 498.465 5.465 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@H]1c1cccnc1 1811108320 IHCQELPZBGBNEB-DYESRHJHSA-N 475.420 5.095 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1811185999 JTMGXPDUDNFKRT-XNMGPUDCSA-N 488.676 5.384 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1)c1ccc(F)cc1 1811368851 YVUZKVSFMGTSQY-MYKRZTLLSA-N 498.602 5.046 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3ccccc3c(Cl)c2OC)[C@@H]1c1cccnc1 1811439013 SXIBZWPEACSBAD-LVXARBLLSA-N 490.003 5.020 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1 1811890157 UUKULLZATBAGFH-RDPSFJRHSA-N 493.394 5.202 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1c1cccnc1 1812592057 JMXLJJVNAZELAA-XPIZARPCSA-N 479.930 5.286 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)c2[nH]1 1814738428 CRHXGRZCFOWKHL-DEOSSOPVSA-N 480.572 5.010 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4c(c3)CCC4)n[nH]2)c1 1815683971 HZHVZWXJTZYJRZ-AFMDSPMNSA-N 481.600 5.074 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)n[nH]1 1816201695 MNXDDNHPNDWMTR-QPPBQGQZSA-N 475.568 5.618 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)oc2C(F)(F)F)[nH]n1 1819304031 XEBBDRXMZZMJNO-YJBOKZPZSA-N 464.488 5.404 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1819366756 BQDXWUZMXRCPNN-GMAHTHKFSA-N 486.572 5.188 30 20 JKED C[C@H](Sc1cccs1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc([C@@H](C)C#N)c1)CC2 1819503238 RZVFVTZWFJRYJZ-MPGHIAIKSA-N 496.683 5.238 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)on2)[nH]n1)c1ccccc1 1819518752 ZNRJFIACWCPDSC-REWPJTCUSA-N 473.577 5.024 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)cc2s1 1821441492 KVPZIHBGFUNYQP-HXUWFJFHSA-N 492.992 5.406 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3c(F)c(F)ccc3c2)n[nH]1 1821548230 LHTBHICFHBZSAA-GHTZIAJQSA-N 479.531 5.310 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cnc4cccc(Cl)c4c3)n[nH]2)c1 1821569010 DBVBTHSSELTHHI-QHCPKHFHSA-N 484.947 5.103 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(-c3ccccc3)c3ncccc23)[nH]n1 1821919762 CZQNYRWMUAGHAC-DVECYGJZSA-N 482.588 5.267 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(C)CC=CCC2)[nH]n1)c1ccc(O)cc1 1822466467 DXFALWIXSXZKBO-YGZVCBRSSA-N 474.605 5.051 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)[nH]n2)c1 1823210325 CVMHVASJQOSVSA-UUOWRZLLSA-N 485.563 5.214 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)ccc2C(F)(F)F)n[nH]1 1823303234 STIIMRGJXHQHRL-INIZCTEOSA-N 474.405 5.085 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Br)cc4cc[nH]c34)CC2)C1 1823700266 KUBGARIKLOWHSD-QFIPXVFZSA-N 484.438 5.130 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823971815 JWYBHKHTRLTIHM-MTNREXPMSA-N 451.076 5.018 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824873126 UKKSQZPSQMPNQD-NRFANRHFSA-N 472.668 5.390 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1)C(F)(F)F 1825437788 WQAJJXHIHJKOIK-QHCPKHFHSA-N 489.538 5.042 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825574299 RPNWRMDEFTVKDY-VPUSJEBWSA-N 477.624 5.823 30 20 JKED Cc1scc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3cccc(C#N)c3)CC2)c1C 1826181276 PSWHHFUETWDCQI-VWLOTQADSA-N 463.647 5.103 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccccc3CSc3ccccc3)CC2)CC1 1826683721 RUDDCYPDEDWDDE-AREMUKBSSA-N 487.669 5.516 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)cc1 1827331529 ONSPCIWZYCDTHX-AHWVRZQESA-N 479.690 5.245 30 20 JKED Cc1cscc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1827804139 XKJURJMLXHYCOS-QHCPKHFHSA-N 458.744 5.341 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 1827854317 DZSQWMHSKYDFPM-OAQYLSRUSA-N 473.495 5.026 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 1828401740 UFSRBWXSOSPLIK-QKDODKLFSA-N 490.047 5.443 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)cc1 1828456901 YVLDERFPISCQND-VWEWBFCZSA-N 475.677 5.327 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)CC1 1828778340 PWYTXBPWHXCQLF-FCEUIQTBSA-N 460.709 5.617 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)s2)CC1 1828904316 UVCSENKTQMQNOQ-HXUWFJFHSA-N 462.707 5.172 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC)nc2)CC1)c1ccccc1 1829030382 NTMBUHXXQVEMIX-WUFINQPMSA-N 471.645 5.075 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562524 DBJGQHDJVHESJY-MUUNZHRXSA-N 495.667 6.033 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1829564826 QNAXHCSTAOVQMT-NDEPHWFRSA-N 496.655 5.657 30 20 JKED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c(C)c1 1830119408 SJNJPMPIZPLQRQ-DEOSSOPVSA-N 480.008 5.076 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1830274365 MCELNGYPDNRHOH-JYFHCDHNSA-N 494.079 5.827 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)c1 1830718148 UCNDAOQIBGVWLS-NDEPHWFRSA-N 483.587 5.327 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cc[nH]c4cc3F)CC2)c(Cl)c1 1830722538 MNYFQCNFIFDFQS-RUZDIDTESA-N 492.982 5.379 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC3CCCC3)CC2)cc(C(F)(F)F)c1 1830754599 CMEUOOYYBDHMOS-QHCPKHFHSA-N 475.555 5.391 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2ccc(OC)cc2)CC1 1831200140 RAFKEAPDZLRNPW-PWXPDEANSA-N 464.650 5.487 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1831375224 QMQABKJSWYWNTI-ZJSXRUAMSA-N 473.617 5.669 30 20 JKED CCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(OC)c2)CC1 1831466173 PUXIMASXYUBDOY-NBGIEHNGSA-N 453.627 5.017 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832629592 UQMAJALNEYIJNE-IBVKSMDESA-N 461.581 5.308 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccn4c3)CC2)c1 1832630500 JMEKTOWMZLFZIR-DVECYGJZSA-N 474.630 5.175 30 20 JKED CC(C)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)CC2)cc1 1836307613 LMVPECJTWWIVJC-UHFFFAOYSA-N 495.784 5.046 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4sccc4s3)CC2)CC1 1836696893 VEHBHDGIQQECFX-UHFFFAOYSA-N 472.676 5.343 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)CC1 1836697726 SSZILIMYKUOTTI-UHFFFAOYSA-N 496.051 5.269 30 20 JKED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)CC2)CC1 1838527876 GRSYINIUFPRKNS-UHFFFAOYSA-N 497.639 5.022 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)C2)cc1C#N 1845933070 MJVZMZOJVSKSQR-RUZDIDTESA-N 494.035 5.256 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172896 MQQVPQYEJTWGJD-UHFFFAOYSA-O 475.606 6.257 30 20 JKED Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 10288358 KEAKPTYFJJMVQA-UHFFFAOYSA-N 483.977 5.341 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccccc2CC)c1C 10831672 WYRWDUGSLHCSBF-UHFFFAOYSA-O 485.029 5.362 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SC(F)F)nc2sc3c(c2c1=O)CCC3 11150170 XTUCNSWHPNHPMC-UHFFFAOYSA-N 479.599 5.178 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 11309272 APGIODCRQCMYKY-UHFFFAOYSA-N 476.583 5.069 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)n(C2CCCC2)c1C 12473949 ONXKECJEIUNXKN-UHFFFAOYSA-N 499.040 5.183 30 20 JKED CCCCCn1c(SCC(=O)Nc2sccc2C#N)nc2ccc(Br)cc2c1=O 23564744 FDRNRKMLNTUGGY-UHFFFAOYSA-N 491.436 5.013 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 23998147 IIUSNMVQHLBRSE-CVEARBPZSA-N 456.999 5.151 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)Cn3c(Cc4ccccc4)nc4ccccc43)s2)cc1 25319267 NGNLXBZJRCRASO-UHFFFAOYSA-N 496.621 5.281 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2ccccc2Cl)cc1 28793600 NZDXVKGZEBFWIT-UHFFFAOYSA-O 499.056 5.753 30 20 JKED CC(=O)Nc1ccc(-c2csc(/N=C(\O)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1 29114394 GSUQASKQGAKEGA-UHFFFAOYSA-N 459.531 5.042 30 20 JKED CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2cc3ccccc3cc2c1=O 31747447 SVIAOJDCUBVDBK-KRWDZBQOSA-N 474.561 5.136 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 32039195 AYHASKBBISCLLV-UHFFFAOYSA-N 463.541 5.374 30 20 JKED N#C[C@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1ccc(OCc2ccccc2)cc1 72096689 OQNWSKORLMUARK-DEOSSOPVSA-N 466.516 5.074 30 20 JKED CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc(C)nc21 97542523 PDTYIKLDLHNIIZ-LJQANCHMSA-N 453.546 5.722 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 107646765 BSSCBLQUZUILPE-LJQANCHMSA-N 474.973 6.328 30 20 JKED CCn1ncc2c(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc(-c3ccccc3)nc21 107834621 AIXNWKFNUDNITM-UHFFFAOYSA-N 463.463 5.195 30 20 JKED Cc1nc(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)sc1SCC#N 108158957 FASVYDFYNNXGPK-IBGZPJMESA-N 460.049 6.182 30 20 JKED COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2sccc2C#N)cc1 209337044 TXJCSNDIQSCCGV-JXAWBTAJSA-N 495.560 5.459 30 20 JKED COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 303180169 SQXYVPSEEGTNLE-IBGZPJMESA-N 463.990 5.380 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)cc2)c1 303322553 IBFMMOYZVKWFBW-UHFFFAOYSA-N 453.523 5.594 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 501152447 XYXBIYMXCQCEJT-FQEVSTJZSA-N 475.589 5.608 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)c2)cc1 501449636 YSHUINJJPVKQKE-UHFFFAOYSA-N 472.932 5.606 30 20 JKED O=C(CCc1ncc(-c2ccccc2Br)o1)NCC#Cc1cccc(C(F)(F)F)c1 502456756 LPIHBJJOGGMHMZ-UHFFFAOYSA-N 477.280 5.223 30 20 JKED Cc1nnc(Sc2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)c(C)c2)s1 505883464 RLVZEGCBRCTLJB-UHFFFAOYSA-N 472.595 6.009 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1[N+](=O)[O-])c1ccccn1 507352485 KLOSCHJPLOGLGY-AWEZNQCLSA-N 485.422 5.228 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)cn1 508474010 XWDGEGYTBQWZKI-UHFFFAOYSA-N 495.535 5.272 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 510274377 YIEZMTAARFVTBC-UHFFFAOYSA-N 490.368 5.317 30 20 JKED Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)nc1 510906336 LLIHGPHKOVUKOX-OAQYLSRUSA-N 469.545 5.245 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)Nc1cc(Cl)ccc1Cl)C(C)C 511116042 PKXRXFTXLFGESP-NRFANRHFSA-N 496.508 5.555 30 20 JKED CC(C)[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc2c(c1)OCCO2 511532698 QKRPERAQOTWHED-VWLOTQADSA-N 470.529 5.101 30 20 JKED Cc1sc(NC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)c(C#N)c1C 514336603 CFDBJSFAEWFMOB-AWEZNQCLSA-N 480.640 5.874 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 515703612 WBLSCQWXJLCZLJ-UHFFFAOYSA-N 482.487 5.445 30 20 JKED CCCN(C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)[C@@H](C)c1cc2ccccc2o1 517794130 JSGCQHBUTQCYLM-IBGZPJMESA-N 482.540 5.739 30 20 JKED CCCOc1c(Br)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1OC 517800713 DIYXSZVBBCKLDW-KRWDZBQOSA-N 496.386 5.732 30 20 JKED N#C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(Cl)c1Cl 518207413 JGFFZDHTGUMOEZ-MRXNPFEDSA-N 457.283 5.005 30 20 JKED Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 518502362 WWFFTWSZOXVMRD-QGZVFWFLSA-N 463.906 5.262 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(-c4c(F)cccc4Cl)noc3C)n2)cc1 518516537 JNLVHIXGAWRXGO-OAHLLOKOSA-N 467.909 6.065 30 20 JKED CSc1nc(O)c(C(=O)NCc2ccc(Oc3ccc(Cl)cc3Cl)c(C)c2)cc1C#N 519880667 ZOXZMLOBWIDUNS-UHFFFAOYSA-N 474.369 5.718 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCC(=O)Nc1ccc(C#N)cc1 520467834 MQMXITKBEMSACO-UHFFFAOYSA-N 452.436 5.188 30 20 JKED COc1cc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc(Br)c1OC 520599958 SUTPWXZXFXVVFP-UHFFFAOYSA-N 482.334 5.452 30 20 JKED N#Cc1ccc(Oc2cccc(NS(=O)(=O)c3cccc(COCC(F)(F)C(F)F)c3)c2)cc1 520627432 KXIOZOBQKUVURQ-UHFFFAOYSA-N 494.466 5.568 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1cccc(OC(F)F)c1 520845482 IYWSEOYTYCERSF-LBPRGKRZSA-N 487.450 5.128 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCC1 520846989 RXGOJJNTGZQNCJ-UHFFFAOYSA-N 479.499 5.027 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 520941409 MSNWTWWRNSGZFI-LJQANCHMSA-N 468.586 5.650 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2csc(Br)c2)c1 521740944 KZKMRELYPWCTSK-UHFFFAOYSA-N 486.416 5.043 30 20 JKED O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)NCc1nccn1C(F)F 588293669 RXTOHJUZVGFZTQ-UHFFFAOYSA-N 476.352 5.367 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)cn2)c1 603692050 PTFRYZVGMVRLNT-UHFFFAOYSA-N 496.354 5.042 30 20 JKED CCOc1ccc(Oc2cc(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)ccn2)cc1 603831137 MNPYBBFLCTXASW-UHFFFAOYSA-N 481.512 5.653 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCCn3cnc4ccccc43)s2)c(C(F)(F)F)c1 603897061 OXYKCRPPQZHSEX-UHFFFAOYSA-N 469.492 5.393 30 20 JKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3ccc(F)cc3Br)c2)cc1 603981356 UOVAXMSHKWMZSI-UHFFFAOYSA-N 475.339 5.034 30 20 JKED N#Cc1c(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)sc2c1CCCCCC2 603996496 TWHWGWJHIXJOKF-UHFFFAOYSA-N 477.561 5.688 30 20 JKED COc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)cc1 604090311 SJJCJIDGOPMRAK-UHFFFAOYSA-N 490.947 5.002 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)o1 604334005 CNMHBSSJMWPAAU-UHFFFAOYSA-N 476.330 5.173 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)n1 604432309 GAVXEHAHNHTYQM-QGZVFWFLSA-N 461.474 5.271 30 20 JKED CN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1cccc(C#N)c1 604433553 ZQCHMKCMFNLFQS-UYRXBGFRSA-N 454.511 5.670 30 20 JKED Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609063330 ZSKWQGOYENAWOB-UHFFFAOYSA-N 479.989 5.410 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C#N)ccc1OC(F)F 609067054 ROTPNVLOPLFDCF-GFCCVEGCSA-N 463.893 5.728 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(Sc3ccccc3)c2)CC1 609375113 HKQGGGRYQDHKGI-UHFFFAOYSA-N 470.554 5.813 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378595 QVAVPGDJDIQFDT-UHFFFAOYSA-N 453.536 6.457 30 20 JKED Cc1ccc([C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2ccc(F)cc2Cl)cc1 609391311 RMGSPBYHNZUNLT-VWLOTQADSA-N 477.971 5.112 30 20 JKED O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622518243 YYTVGRYNUYHWRE-QZTJIDSGSA-N 499.373 6.360 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 622936231 HEINOLHMDCSDDG-KRWDZBQOSA-N 488.082 5.278 30 20 JKED C=CCn1c(S[C@H](C(=O)N[C@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccc(F)cc1 639430450 JNMYBLZMRAQPGK-UNMCSNQZSA-N 466.582 5.027 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cscn1 642281730 FPZVRWIIOUVNEJ-SFHVURJKSA-N 481.986 5.998 30 20 JKED COc1ccc(CNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OC(F)F 642793516 JJQJPWZJZHUIBX-QWRGUYRKSA-N 464.353 5.005 30 20 JKED C=CCN(C(=O)c1ccc(C(F)(F)F)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 649701096 UYHXIRPSMLMLPA-UHFFFAOYSA-N 458.292 6.364 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 726321789 PYVSDDVVWLNULC-IOYBJCICSA-N 478.420 5.286 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCC(C)C)C2=O)c1 726421559 RADNBAVVJSXBQN-HOCQLMGASA-N 489.663 5.201 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccc(C#N)cc1)c1cccs1 726422261 VZZYDSVXQPPKGN-VFEBEHMDSA-N 492.601 5.349 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(C3CCCC3)C2=O)c1 726422517 XAEJFBAOCQVOFE-PDNRQDKUSA-N 457.621 5.089 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 726572262 WTTZXLBSMOAGEU-UHFFFAOYSA-O 479.969 5.683 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCc2cnn(C)c2)cc1 726736161 VNIPGKMQWKJTSV-DEOSSOPVSA-N 489.645 5.137 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(Cc2ccc(F)cc2)n1 727039775 ZDFXWDDENISXDJ-HXUWFJFHSA-N 471.513 5.626 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)cc1C 727650997 XUQBXCNSBUGFOA-RUZDIDTESA-N 498.608 5.366 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C(C)(C)C)ns2)c1 727721523 VORATUJTNOBIKZ-UHFFFAOYSA-N 491.038 5.123 30 20 JKED N#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1 727935784 XPKKRBUQNMXGDV-UHFFFAOYSA-N 452.308 5.465 30 20 JKED COC1CCN(c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2C(F)(F)F)CC1 728012174 BEKOSDTZBHHSAL-UHFFFAOYSA-N 450.354 5.129 30 20 JKED C#Cc1cccc(N(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(C)C)c1 728248228 PEEIZBDCZXMZQQ-UHFFFAOYSA-N 459.468 5.253 30 20 JKED Cc1sc2ncn(N=Cc3csc(-c4ccc5c(c4)OCO5)n3)c(=O)c2c1-c1ccccc1 728427984 NCKWOZNVSKGMEY-UHFFFAOYSA-N 472.551 5.168 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 729369855 NYLKGYHBNHNNCK-RUZDIDTESA-N 471.557 5.285 30 20 JKED O=C(/C=C/c1csc(-c2cccc(Br)c2)n1)c1ccc(N2CCCC2=O)cc1 730579578 XXZNDGYDGIFPEP-DHZHZOJOSA-N 453.361 5.596 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1ccc(Cl)cc1 731309968 YNWJNRLAPOAZMV-JOCHJYFZSA-N 495.988 5.215 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731310416 HRYRBCOCQBPSQK-QGZVFWFLSA-N 452.363 5.069 30 20 JKED Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2C)s1 731310613 LREGZJJXUGMQHG-NRFANRHFSA-N 465.600 5.231 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1c(Cl)ccc(C)c1Cl 731312090 KLLQXAIADKCFEZ-QGZVFWFLSA-N 496.416 5.004 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c1 743525738 SQUNYNZUALXHDB-JOCHJYFZSA-N 498.530 5.276 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cscn3)C2=O)c1 747602886 POHDAHDRWKEVKW-QFIPXVFZSA-N 494.642 5.436 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)c(S(C)(=O)=O)c3)c2C#N)C1 749112528 GMNSDYGMUDFYLN-CYBMUJFWSA-N 495.464 5.189 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(CC(F)(F)F)C2=O)c1 799212756 KAMCWLPJVZXLOC-QGZVFWFLSA-N 485.915 5.180 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3ccccn3)C2=O)c1 837301723 GNDAJBRWPPJTEC-MBSDFSHPSA-N 476.577 5.559 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2F)c1 837345177 LYHIJRRSDYVUJW-QHCPKHFHSA-N 493.560 5.003 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)CCc1ccco1 838486639 QKFSZUHLQWCTQN-UZUQRXQVSA-N 495.576 5.409 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 907368686 CYSJGWQKZWTNHW-XQNSMLJCSA-N 485.590 5.176 30 20 JKED Cc1cc(C)c(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccccn2)c(Cl)c1 914553637 GMERPBGATXKDLH-QFIPXVFZSA-N 493.032 5.190 30 20 JKED C[C@H](Cc1ccco1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 914694518 MSTCIXGWXMDGKF-IIBYNOLFSA-N 451.523 5.010 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccc(F)c2)C1=O)Nc1ccccc1F 914772573 FCTYAZGRPAHOMQ-NRFANRHFSA-N 487.478 5.404 30 20 JKED N#C[C@H](C(=O)CCNC(=O)c1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915103706 CHWYFIQMUVQQDT-CQSZACIVSA-N 496.308 5.074 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 915350222 MQRPROKDYAIDNJ-DEOSSOPVSA-N 492.501 5.351 30 20 JKED N#Cc1ccccc1NC(=S)N(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 915998072 WLSIBYGQIWDCGC-UHFFFAOYSA-N 493.476 6.995 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(C)cc2)C1=O 916209207 GRXJRKDGRSITLQ-QHCPKHFHSA-N 477.561 5.303 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccco3)C2=O)c1 916211380 NJJWVBMCDPQLJA-QFIPXVFZSA-N 463.559 5.066 30 20 JKED COC(=O)c1ccccc1-c1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)o1 916283834 VYCLZNHULIAOOS-UHFFFAOYSA-N 469.522 5.362 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OC)c(F)c2)c1 916401272 OGBGTLWVFKBKCR-UHFFFAOYSA-N 474.941 5.121 30 20 JKED Cc1sc(=O)n(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1-c1ccc(F)cc1 916449978 VGHMKXJJMAYCOG-UHFFFAOYSA-N 487.556 5.308 30 20 JKED CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 916519779 JWOVXHDXZHZMQH-OAQYLSRUSA-N 468.985 5.516 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 916904068 VMPWJTZELBRYBZ-QFIPXVFZSA-N 499.533 5.030 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)sc2C)cc1 916910741 UFNDKUQVIBUUCL-HSZRJFAPSA-N 482.561 6.486 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 916912549 QLDSDTTUOTVJSP-MRXNPFEDSA-N 465.296 5.400 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(OC)ccc(Br)c3[nH]2)cc1 916916040 UIFOAYSHEXJLOX-KRWDZBQOSA-N 468.351 5.243 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1ccc(Cl)cc1Cl 916930983 IMXPJHJBYKUWHZ-OAHLLOKOSA-N 498.313 6.026 30 20 JKED N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 916944296 BCTKJWQZSRUVRO-QGZVFWFLSA-N 458.326 5.268 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1 916955612 SHKUPMQJKMHGGT-CLOONOSVSA-N 478.552 6.187 30 20 JKED Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)cc1 917032204 VADJVNCPKXDNLJ-UHFFFAOYSA-N 466.493 5.535 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N([C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917660755 LLGUGIVPCWMBBG-SDHSZQHLSA-N 490.673 5.199 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(OC(F)F)cc2)n1 917676801 YYWQYELVSAYFBY-NRFANRHFSA-N 496.539 5.152 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccc(C)n2)cc1 917682575 WHJDHCUGWOTXIM-XMMPIXPASA-N 488.613 5.122 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(N3CCCC3)cc2)C1=O)NC1CC1 917700968 NCTFDMDYNXTIRT-SANMLTNESA-N 498.652 5.240 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3ccco3)C2=O)cc1Cl 917703675 AJCRMNHOUMQVNF-NRFANRHFSA-N 478.961 5.274 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1 917803509 FMVGYMCXMYZQBR-UHFFFAOYSA-N 453.542 5.096 30 20 JKED CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnc1-c1cccc(C)c1 920140377 FPEAOQVNMOJBQE-FQEVSTJZSA-N 484.610 5.237 30 20 JKED N#C[C@H](C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1 920265002 HZLSEQPIFOTGRC-QPPBQGQZSA-N 476.026 6.558 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(Cc3cc(C)on3)C2=O)cc1 920357398 YHXDIPHCZCJZDZ-FQEVSTJZSA-N 486.956 5.244 30 20 JKED CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)=C(/S)Nc1ccc2c(c1)CCC2 920394670 RFPUTKIZPJVLOT-UHFFFAOYSA-O 486.661 5.755 30 20 JKED COc1ccc(OCc2nc(/C=C3\SC(=S)N(c4ccccc4C#N)C3=O)cs2)cc1 920471775 DYZJPXWKFTWLQR-GRSHGNNSSA-N 465.581 5.008 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)c2cccc(CC#N)c2)cs1 920528318 MXVRMAARYUTEEN-UHFFFAOYSA-N 459.449 5.270 30 20 JKED N#C[C@@H](C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2c(F)cccc2F)cs1 920804083 KSYGXZWCNSWDFA-BBATYDOGSA-N 475.929 5.421 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(C)cs3)n2-c2ccc(Cl)cc2)cc1 921250112 OLYLLVZXYUFNIK-LJQANCHMSA-N 496.017 5.330 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N([C@H](C)COCC(F)(F)F)C2=O)cc1 921253469 PVCFVMDOBZIMHN-BEFAXECRSA-N 497.514 5.062 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)CCC2)c1 1786246313 YOEAPCIKOGGBJP-UHFFFAOYSA-N 451.517 5.440 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3scnc3C3CC3)cc2)CCC1 1787184556 WRRLCLKBFPCJBW-ZHACJKMWSA-N 477.611 5.269 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C(C)(C)C)oc3C)cc2)CCC1 1787390733 PJQYIGXBZWYTFH-SFHVURJKSA-N 453.583 5.434 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)C3(c4ccc(Br)cc4)CCC3)CCC2)cc1 1787889245 AVLILMWOJDEPCT-UHFFFAOYSA-N 480.406 5.309 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)CC[C@@H]3CNc4ccccc4C3)cc2)CCC1 1788066498 JOHMOUPRBYEADQ-QFIPXVFZSA-N 475.633 5.168 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCC1 1788687004 FYMKLHYQIVJVSW-GOSISDBHSA-N 476.960 5.386 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccn5)[nH]n4)CCC3)cc2)c1Cl 1790083596 ADBHUEMOARONKS-UHFFFAOYSA-N 496.958 5.058 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(F)ccc3F)cc2)CCC1 1790217131 JAVXPINCZQKNLQ-JOCHJYFZSA-N 499.558 5.182 30 20 JKED COc1ccc(/C=C(\C)C(=O)NC2(c3ccc(NC(=O)[C@@H](C)ON=C(C)C)cc3)CCC2)cc1 1790568126 SHZZPRBCYSTABK-LFNFIXQYSA-N 463.578 5.034 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CCC2)cc1 1790568313 WACCVPUZNBWUPX-CDPNLFKUSA-N 453.627 5.528 30 20 JKED CC(=O)Nc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc(C#N)cc4)CCC3)cc2)ccc1C 1790746025 JPEMQNYCNQGBMQ-UHFFFAOYSA-N 494.595 5.206 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCc5ccoc5C4)CCC3)cc2)c1 1790795197 HUMBJQCLEUZCOF-OAQYLSRUSA-N 453.542 5.013 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)cc2)CCC1 1791397634 NRNBYZPIQFENRG-ZJOVHXHXSA-N 493.648 5.336 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4ccc(F)cc4)CCC3)cc2)c1 1792122402 LMUYYTOUNYBFBV-IBGZPJMESA-N 471.532 5.279 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccnc4OCC4CC4)CCC3)cc2)c1 1792123110 JDQLXPUZHXECFS-HXUWFJFHSA-N 494.595 5.559 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)COc4cc(Cl)ccn4)CCC3)cc2)c1 1792125407 YSZPAGTXZBEFPH-SFHVURJKSA-N 488.975 5.189 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CCC1 1792171032 YYDQQTMKXARHOO-UHFFFAOYSA-N 478.486 5.575 30 20 JKED N#CC1(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc(C(F)(F)F)c4)CCC3)cc2)CCC1 1792232808 MBMKZYFOQZVWEQ-UHFFFAOYSA-N 455.480 5.076 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CCC2)cc1 1792266626 AMFPPPRXFSKBAP-FCHUYYIVSA-N 465.391 5.100 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)C4CCSCC4)cc3)CCC2)cc1C#N 1792354161 KFVONZMHSOSPIR-UHFFFAOYSA-N 477.630 5.236 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1 1800630629 BIDUINAYDGZSEY-ZFFYZDHPSA-N 495.664 5.074 30 20 JKED CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(C#N)c1)c1ccccc1 1800631600 UJBLVCXHFVLDNZ-JTOYRKQZSA-N 494.433 5.012 30 20 JKED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Cl)c3)CCCC1)C2 1801698327 HUZUWOKCRHHMFG-ACDBMABISA-N 450.957 5.001 30 20 JKED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3cccc(Br)c3)CCCC1)C2)C(F)(F)F 1801703928 SLKAGVHQTHJREU-REPLKXPHSA-N 499.371 5.018 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)[C@@H]1c1cccnc1 1802492944 SLFSXDCYWPRLSJ-GBXCKJPGSA-N 479.024 5.528 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@@H]1c1cccnc1 1803088115 HHLXYNLQKWEROK-WIOPSUGQSA-N 463.647 5.110 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)CCC3CCCC3)C2)CC1)c1ccc(O)cc1 1808956894 NJASKTDEABNCBS-VWLOTQADSA-N 464.650 5.091 30 20 JKED CC[C@H](C)[C@@H](C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)ccc3F)CC2)C1)c1ccccc1 1809160904 BNLVPEXIUGATOH-HFZDXXHNSA-N 475.608 5.372 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1810177959 JPPIDVYQYIRQME-YRFMLNNJSA-N 477.571 5.225 30 20 JKED Cc1cc(F)c(F)c(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810272765 RANZPWPWIWVLGJ-LVXARBLLSA-N 497.662 5.039 30 20 JKED CCn1c2ccccc2c2cc(C(=O)NC[C@H]3CCN(C(=O)C(C)(C)C#N)[C@@H]3c3cccnc3)ccc21 1811427000 CPFFOYIOKBUZSX-AJTFRIOCSA-N 493.611 5.079 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccccc3Oc3ccccc3)[C@H]2c2cccnc2)C1 1811713647 BPVKRJWDQJUWHL-AJTFRIOCSA-N 467.569 5.160 30 20 JKED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1812671691 GJTYHMKURSEDGV-RCZVLFRGSA-N 491.538 5.405 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)[C@H]1c1cccnc1 1813014278 RYIHGQDNYHNIFI-JXHRLWIKSA-N 485.550 5.050 30 20 JKED Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1813839257 XDISDQMCBOLVDJ-BKMJKUGQSA-N 496.127 5.414 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n[nH]1 1814922679 GVBTWUKZHDVAGA-YCRNBWNJSA-N 468.548 5.252 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCOc2ccc(C(C)=O)cc2)n[nH]1 1814959160 AHMVRGBCXKWCOJ-XMMPIXPASA-N 494.636 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2OCCc3ccccc32)n[nH]1 1815130003 JYJJBNCCUHOXMM-PKTZIBPZSA-N 464.610 5.098 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccccc4o3)n[nH]2)c(Cl)c1 1818632161 RENZSTXGIPZQGQ-HXUWFJFHSA-N 473.920 5.301 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)[nH]n1 1819303858 QSMJMKKCSSONRV-WMZHIEFXSA-N 494.546 5.152 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)[nH]n1 1819306013 UYOJDDVFCSMKOW-GHTZIAJQSA-N 495.027 5.348 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1821147918 QFWLFYWXFZDPOM-QHCPKHFHSA-N 471.561 5.078 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1 1821921403 PQCRKFKNAKOAGY-XOBRGWDASA-N 473.499 5.428 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)[nH]n1 1822404831 ZFTQCMGPOXSRJL-HXUWFJFHSA-N 487.585 5.009 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[nH]n1 1822580091 SCIHGXRJIOAOGA-RUZDIDTESA-N 494.599 5.453 30 20 JKED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occ(-c4cccnc4)c3[nH]2)[nH]n1 1822581859 RWMSTXOOMNDDOB-JOCHJYFZSA-N 484.560 5.046 30 20 JKED Cc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)o1 1822908617 IVJIWMGVNARVBK-MHZLTWQESA-N 492.579 5.260 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCCc3ccccc3F)[nH]n2)c1 1823210301 BVVNEWJWDVVPOZ-UQBPGWFLSA-N 487.579 5.505 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4ncsc34)[nH]n2)c1 1823214792 KMOQJXIEKFSLKZ-KSFYIVLOSA-N 484.585 5.266 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ncc[nH]3)cc2)n[nH]1 1823266337 SBWXREIGDJQRFE-OAQYLSRUSA-N 460.582 5.098 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1823929415 MQHVUIVWVVIPAD-AREMUKBSSA-N 491.607 5.340 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C(F)(F)F)cn2)CC1 1824139999 UZFLMZCSRXURCB-DEOSSOPVSA-N 491.598 5.421 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 1824142506 URHVPMPKQHPZAN-DEOSSOPVSA-N 465.663 5.606 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2OC)CC1 1824320931 HAMNPUBLTABSDQ-DEOSSOPVSA-N 454.655 5.240 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1824510686 SQVFXBLDSOEJSI-IERDGZPVSA-N 486.962 5.183 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](S)C(C)C)CC2)c1 1824539201 LZOOTNPUYKMVSK-UIOOFZCWSA-N 479.690 5.245 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1 1824540793 PAMQRTMSJOATEW-ILBGXUMGSA-N 483.653 5.075 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4cccc(F)c4)CC3)CC2)c1Cl 1824920872 MFEFMMWQMWTZEN-XMMPIXPASA-N 494.010 5.316 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2cc(C)ccc2C)CC1 1824951029 KQXDULUPODUUGN-LOSJGSFVSA-N 452.639 5.070 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1824952458 PFQRDHUJZXPPMU-HOFKKMOUSA-N 487.644 5.243 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 1826478155 AKXVJEDKUVIVDB-PGRDOPGGSA-N 450.545 5.080 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826783093 ZBBOMBDEFVLWGX-UVCDWSHASA-N 463.666 5.196 30 20 JKED C[C@H](Sc1cccs1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc([C@@H](C)C#N)c3)sc2C1 1827697707 QIAKROZKIASTFI-MPGHIAIKSA-N 496.683 5.238 30 20 JKED Cc1ccc2cc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)Cc4ccc(F)c(C#N)c4)CC3)ccc2n1 1828232800 XFQFDAILHKUTIK-MUUNZHRXSA-N 498.602 5.030 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CC=C(C)CC2)CC1)c1ccc(O)cc1 1828352557 ROHGNOOEXISFQB-STROYTFGSA-N 476.661 5.255 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1828823321 RHFQEKCYZCFABU-VWNXMTODSA-N 454.655 5.887 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)CC1 1828827803 VKAJONGGAHQDLI-WUFINQPMSA-N 471.645 5.750 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 1828829266 ZQISYDICIJRBSA-PXDATVDWSA-N 468.041 5.823 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnn(Cc3ccccc3)c2)CC1 1829301908 WRCSOTYBEOWMRB-SANMLTNESA-N 476.665 5.157 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C)c2)CC1 1830001717 HZPJPJLPHPVRTL-RPBOFIJWSA-N 497.680 5.088 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)CC3)cc2n1 1830721668 SLUUCVDUOWWZOI-HSZRJFAPSA-N 490.991 5.208 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc(C(F)(F)F)c1 1830755979 PXICUEQVAQQQTB-REWPJTCUSA-N 473.539 5.167 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1830766814 OYUVPBHSWDEVLA-SANMLTNESA-N 479.571 5.011 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1831445928 MWIROVAYTMDTLY-OAQYLSRUSA-N 463.956 5.266 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)CC1)C(F)(F)F 1831450859 GUBXVBHNIGETGL-OAQYLSRUSA-N 478.555 5.142 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1831858586 YECQGWUTBLYFML-VWLOTQADSA-N 480.052 5.576 30 20 JKED Cc1cc(C)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c(C)c1 1832576438 JUHGJEWHSILMND-SANMLTNESA-N 457.618 5.225 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C)cc3Cl)CC2)c1 1832608192 WGIUEQDPGHGGIZ-VWLOTQADSA-N 480.008 5.076 30 20 JKED Cc1cccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1832704534 OBSDCKAWWLIJKF-VWLOTQADSA-N 491.607 5.340 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)C1 1844628135 KWSZAPDYZWBAHR-UHFFFAOYSA-N 456.590 5.039 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-c2ccc(F)cc2)cc1F 1847531633 HXVYBFOTLWNGEE-DQEYMECFSA-N 450.529 5.216 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(NC(=O)c3cccs3)c2)n(C2CCCC2)c1C 10374151 RGWBXHBVCBAPSZ-UHFFFAOYSA-N 490.585 5.201 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)c(Cl)c2)[n+]2cccc(O)c2)cc1 11251126 BMNDUXMHFOHFOF-UHFFFAOYSA-O 490.388 5.214 30 20 JKED CCOc1c(Br)cc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1OC 16440384 VIMGABLEWPKGFL-BOPFTXTBSA-N 461.381 5.365 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccccc3)cc12 21686346 SPSYVHIVAAKAMH-SFHVURJKSA-N 490.560 5.086 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2C)[n+]2ccccc2CC)cc1 22728253 QCJRKUYFWNNWIK-UHFFFAOYSA-O 454.015 5.948 30 20 JKED COc1ccc(-c2cc(CSc3nc4ccccc4c(=O)n3-c3ccc(C#N)cc3)on2)cc1 24835473 HNDQHWUKHRUCEY-UHFFFAOYSA-N 466.522 5.213 30 20 JKED CC(C)n1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl 25763500 KKUSSMCOQTZJHE-ZUOKHONESA-N 454.427 5.368 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCc2nc3ccccc3s2)c1 36621949 ISWBGSLNVNNROQ-UHFFFAOYSA-N 498.029 5.261 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nc2sccc2c1=O 36805863 GPMLVYMCTOEGPR-KRWDZBQOSA-N 461.612 5.030 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n(Cc2ccccc2)c1C 45540932 IBNCYFHBLWUDDV-UHFFFAOYSA-N 480.597 5.260 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 247942247 XSIRFKXCRWHNJU-QGZVFWFLSA-N 456.951 5.298 30 20 JKED Cn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2scc(-c3cccs3)c2c1=O 255931070 RYLQWPOTEYRIOZ-UHFFFAOYSA-N 490.635 5.567 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(COc2ccc(Br)cc2)o1 302945564 CBHQSGSGFDAVFL-UHFFFAOYSA-N 451.320 5.321 30 20 JKED Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)c2C)n1 303031165 UFCXUQSKTZFUOU-UHFFFAOYSA-N 466.545 5.050 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N 303252298 CJEDBDYTDUFIEI-CQSZACIVSA-N 453.564 5.952 30 20 JKED CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1)c1ccccc1 409564201 XCKOLQYGDASSCX-MHZLTWQESA-N 496.611 5.965 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 477651522 JCNSIYWNVMZVOT-HSZRJFAPSA-N 463.969 5.239 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)C3CCCC3)cc2F)c1 481165923 QWHQSEMYLGHBEM-SANMLTNESA-N 471.532 5.263 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)s2)cc1 482133943 OKIUUYFAHQKBSX-UHFFFAOYSA-N 469.551 5.618 30 20 JKED COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1OC 489383598 HAPUYKOCLRWABW-PGMHBOJBSA-N 467.569 5.505 30 20 JKED C=CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 494082144 BISPKDOHRHEJKG-WOJBJXKFSA-N 473.019 5.190 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 496392476 CQROWNLNWCGOHL-UHFFFAOYSA-N 457.471 5.338 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 499089238 BPCXLJCATQGIPA-UHFFFAOYSA-N 497.407 6.490 30 20 JKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 501581550 QODGXQJKKPUMDX-LJQANCHMSA-N 450.608 5.157 30 20 JKED N#Cc1c(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)sc2c1CCCC2 502789878 NRBXJYQSPJBYOQ-UHFFFAOYSA-N 473.642 5.583 30 20 JKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CSCc1ccc(C#N)cc1 504790225 POMPPGXENCAQDF-UHFFFAOYSA-N 483.943 5.339 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 505523497 JHTWJJIFPWVRMV-RBBKRZOGSA-N 495.526 5.594 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CCN(c3ccccc3OC)CC2)cc1 508288093 LOZDDFCLUYSQPF-UHFFFAOYSA-N 472.545 5.158 30 20 JKED O=C(Nc1cccc(F)c1)C1CCN(C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 509150172 FVNCFNZRGNZGDM-UHFFFAOYSA-N 492.391 5.119 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccccc2Cn2cccn2)cc1Cl 510009410 ILAVNGBQOVAPCK-DEOSSOPVSA-N 455.949 5.562 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)C2CCCC2)nnc1-c1ccccc1OC 510325324 RYEMLGIDZFDFFB-XMMPIXPASA-N 462.619 5.280 30 20 JKED N#C[C@H](C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1ccc(C(F)(F)F)cn1 513139120 ZLBQSDKKRGQXNI-KRWDZBQOSA-N 489.295 5.417 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 515171805 JYKDNZJZQTYOHR-UHFFFAOYSA-N 498.564 5.131 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 516499074 JBTHULMGGXMZBX-UHFFFAOYSA-N 455.389 5.647 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 516710653 MCJHQUFFJDXJPB-LJQANCHMSA-N 457.530 5.262 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 518168815 LIOSWGIGGJJPEJ-HNNXBMFYSA-N 477.417 5.235 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)cc2)cc1 520558012 YUDKVLUVXMLHID-BVAGGSTKSA-N 473.529 5.019 30 20 JKED Cc1sc2ncn(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(=O)c2c1-c1ccccc1 520813580 MHOMDMFKPXPQAX-INIZCTEOSA-N 474.611 5.324 30 20 JKED COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1Cl 521539034 DJRQTCHXGAJRRW-UHFFFAOYSA-N 477.369 5.448 30 20 JKED N#CCc1cccc(C(=O)Nc2cc(NC(=O)c3ccccc3I)ccc2F)c1 521844509 QUDWOGMBBVSTER-UHFFFAOYSA-N 499.283 5.001 30 20 JKED O=C(Nc1ccccc1Br)C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 523569080 LTVKLGDPLUZRTP-UHFFFAOYSA-N 487.397 5.340 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 523963542 QKRSJJWEXVWGBP-DNQXCXABSA-N 469.541 5.140 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 524389223 XFGDBJAWFKZFAH-UHFFFAOYSA-N 474.517 5.366 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 589260835 QNHOFUBSCXGHNB-UHFFFAOYSA-N 485.653 5.210 30 20 JKED CCn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 589931486 QAPUQFNXMRBTOV-INIZCTEOSA-N 465.648 5.068 30 20 JKED O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F 590792069 CLJUKTSOKPKLIL-RKDXNWHRSA-N 461.321 5.032 30 20 JKED CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)cc1 595471188 FBOGNDOTRYLBLQ-DEOSSOPVSA-N 481.379 6.089 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2C(F)(F)F)cc1 603765097 PKYRWXIWTCJUHY-UHFFFAOYSA-N 463.419 5.511 30 20 JKED CCOC(=O)c1cnn(-c2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)c1C 603846472 BXVKBTZWEBXSKJ-KRWDZBQOSA-N 464.934 5.111 30 20 JKED CSc1cccc(N2C[C@@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2=O)c1 604004098 VBJIVCDBFAZFPO-NRFANRHFSA-N 471.582 5.045 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(c4nc5ccccc5s4)C3)cn2)cc1 604241652 FFMJDZLEMZXDFB-GOSISDBHSA-N 455.543 5.210 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)oc3ccccc23)s1 604528250 CWJFBTJHHBTAAF-UHFFFAOYSA-N 499.577 6.196 30 20 JKED Cc1ccc(OCc2nc(CC(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cs2)cc1 609028804 QIHAMPXRKBXWNA-AREMUKBSSA-N 483.593 5.533 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCc4c(Br)cccc4C3)cc2F)c1 609123773 ZQXHRQPMBPPQDO-UHFFFAOYSA-N 480.337 5.629 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)cc1 609126214 CHNGAMJDUBXASU-FVQHAEBGSA-N 456.386 5.990 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)c2)cc1 609176295 GNRCWGUPQYLYQY-UHFFFAOYSA-N 467.382 5.341 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)CC2(CC(=O)Nc3ccc(C(C)(C)C#N)cc3)CCCC2)cc1 609228480 VWNDCUCIFQXEMU-UHFFFAOYSA-N 470.617 6.207 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cc1 609378032 UWEHGZVLIBAURU-IBGZPJMESA-N 479.627 5.324 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 609398722 MKSYMUQDMFOXBA-GCJKJVERSA-N 487.069 5.565 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)N1CCCCC1 609398778 PWVIEJYGBAAFDP-UGKGYDQZSA-N 452.624 5.296 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 609400329 YRLXKNGSJVKGPQ-HXOBKFHXSA-N 463.990 5.436 30 20 JKED N#C[C@@H](C(=O)c1nccnc1-c1nc2ccccc2s1)c1nc(-c2ccc(Cl)cc2)cs1 613319406 DFRYCZGOXRBKSD-HNNXBMFYSA-N 473.970 6.020 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 615714489 SQZQUNNUYYCISS-UHFFFAOYSA-N 458.562 5.545 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(OC)cc1 618070794 YLADDBSVZFXZFW-LJQANCHMSA-N 488.617 5.062 30 20 JKED Cc1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n(-c2cccc(C(F)(F)F)c2)n1 618540057 OXUKBEPWZZIFRL-STQMWFEESA-N 488.354 5.794 30 20 JKED O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618903541 ZSYAEMHGAUUCHY-GHMZBOCLSA-N 488.354 5.922 30 20 JKED N#C[C@@H](C(=O)c1ccn(-c2cccc(F)c2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 620058219 JXKWJMDMQTZSPK-INIZCTEOSA-N 457.317 5.932 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)NC12CC3CC(CC(C3)C1)C2 725762878 XPRMZSCBULMIOY-UHFFFAOYSA-O 478.682 5.300 30 20 JKED N#C[C@@H](C(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)Nc1ccc(SC(F)F)cc1 726319353 HAFGXUVDCRDEBH-INIZCTEOSA-N 482.468 5.078 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(F)(F)F)c1 726411210 LNMROOSIWYXMEV-OAQYLSRUSA-N 481.499 5.344 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccsc1)c1cccs1 726420951 KGUCQQYYVGZCTP-RRZAIFFPSA-N 491.610 5.678 30 20 JKED COc1ccc(C(C)=NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)cc1NC(C)=O 726423354 GSZRRMGKAFLPIU-UHFFFAOYSA-N 483.572 5.312 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OC)c(Cl)c2)[n+]2ccc(CCC)cc2)c1 726572406 CPOJJNMPBVFXFZ-UHFFFAOYSA-O 464.010 5.893 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCC2=CCCCC2)cn1 726888143 LLYQMRFNFBXFGR-NRFANRHFSA-N 482.581 5.080 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)NCc1ccc(OCC#N)cc1 727936676 UZDCKCAZPFIOJR-UHFFFAOYSA-N 482.462 5.490 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)cc2F)c1 728183555 WLDKBJBCRCRXIG-UHFFFAOYSA-N 470.254 5.199 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(Cl)cc1 728777611 LOHKLLNRFHCMTA-QHCPKHFHSA-N 491.016 6.147 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C1CCC1 730461160 LSIAXNYOTHIJOB-FQEVSTJZSA-N 457.983 5.170 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(C3CCC3)C2=O)c([N+](=O)[O-])c1 730461671 RATVHJYNAWHEDX-LJQANCHMSA-N 472.954 5.069 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(Cc2cocn2)C1=O)Nc1ccccc1F 730711133 ZHOOJZIYOUUUMC-QFIPXVFZSA-N 474.517 5.127 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 730942388 ODDDVHRDRLPVBT-AVRWGWEMSA-N 498.583 6.095 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2cccnc2)c1 730943596 HARDDDZZPATZTD-JTSKRJEESA-N 462.550 5.251 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 731031043 PDLMRAGGYBELJU-FCEUIQTBSA-N 486.682 5.273 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)COc1ccc2oc3c(c2c1)CCCC3 731060817 LHJHMQMXGMQHCO-QGZVFWFLSA-N 478.570 5.124 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCC2 731061268 RBMIKBKSFULJAR-OAHLLOKOSA-N 499.658 5.411 30 20 JKED N#CC(CCOC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1 731262822 XPLDCLKSMYWCDD-UHFFFAOYSA-N 495.600 5.717 30 20 JKED COc1cc(C)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1OC 731317638 CBWIYHSTMREASY-VURMDHGXSA-N 458.486 5.328 30 20 JKED CCCOc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc1OC 744761875 QIJAHYJIAMAZBF-UHFFFAOYSA-N 454.596 5.257 30 20 JKED COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 746687269 VBKDGFQZBPUMKI-NTMALXAHSA-N 487.478 5.405 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC(c3cccc4ccccc34)CC2)c1 746763739 BVADLELEVYUBGK-PBBVDAKRSA-N 490.629 5.064 30 20 JKED C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(NC(=O)c3ccc(C)s3)CC2)c1=S 747800350 RVCQUHIEJIRWHN-UHFFFAOYSA-N 488.082 5.142 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1 748987561 ASUFRVLWOUPDFA-BJKOFHAPSA-N 476.374 5.710 30 20 JKED Cc1ccc(-c2nn(Cc3ccccc3)cc2C=Nn2cnc3ccc(Br)cc3c2=O)cc1 767309338 RDYSLXJEJZDSHR-UHFFFAOYSA-N 498.384 5.261 30 20 JKED COc1ccc(/C=C2\N=C(SCCCCC#N)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 775393917 BUYYYOKGJXDQOY-ZHZULCJRSA-N 455.967 5.528 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 818135639 SFBFVKBSFCGEEQ-FQEVSTJZSA-N 496.932 5.164 30 20 JKED Cc1oc(NC(=O)COC(=O)Cc2csc(-c3cccc(Oc4ccccc4)c3)n2)c(C#N)c1C 821900484 OWNPPDGLSNNNFT-UHFFFAOYSA-N 487.537 5.408 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccc2C)c1 837344828 IUMJNIULODGHFY-DEOSSOPVSA-N 489.597 5.173 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1 837742312 UQDTXYDXIGMUFV-LJQANCHMSA-N 457.527 5.187 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837873645 YXCIIKDVZGBWSU-NTKDMRAZSA-N 488.613 5.510 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2cccnc2)cc1 838037962 OHGLZXUAMGZWHL-ZHRRBRCNSA-N 495.004 5.465 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(NC(C)=O)c1 913118455 UBBGMEIESBWOPI-NRFANRHFSA-N 487.025 5.367 30 20 JKED Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2Cl)cc1 915086064 GYZRVPCFQXQMRM-XMMPIXPASA-N 454.961 6.109 30 20 JKED COc1cc(/C=C(/Cl)c2nc(O)c3c(-c4cccs4)csc3n2)ccc1OCC#N 916157131 GVAJSEFDBIZIPR-NTEUORMPSA-N 455.948 5.773 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(C[C@H]2CCCO2)C1=O 916208061 SEPHBWKGIWDWLB-YKSBVNFPSA-N 495.645 5.232 30 20 JKED CC(C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916211346 MJTCRMBQWBNSHW-LJQANCHMSA-N 463.525 5.712 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CCc3ccccn3)C2=O)c1 916215503 XBUUGPXNMDADHA-HSZRJFAPSA-N 493.032 5.555 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)c(Cl)c1 916217054 CUVGGILQSIQICM-FQEVSTJZSA-N 494.444 5.607 30 20 JKED FC(F)(F)c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 916305625 YKEUEUGDNOZISL-UHFFFAOYSA-N 493.312 5.083 30 20 JKED Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=Nn1cnc2sc(C)c(C)c2c1=O 916310720 FZEPNARSXSQAIN-UHFFFAOYSA-N 465.888 5.123 30 20 JKED N#CCOc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)c1 916409807 OOPQOYDFTCNABB-UHFFFAOYSA-N 483.496 5.173 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 916908167 LTNHSXWZCXDUKR-HXUWFJFHSA-N 480.499 5.254 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 916949048 LCFGVWOZTRKILB-UQBPGWFLSA-N 482.609 6.101 30 20 JKED CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc1OC 917518104 VJBQUEGKWOSXDL-BJMVGYQFSA-N 485.378 5.455 30 20 JKED COc1ccccc1N=C1SCCN1C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 917556372 UNBORWYNWMRFQU-UHFFFAOYSA-N 469.563 5.333 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(Cc3cccc(C)n3)C2=O)cc1 917664059 BVBNLGJWEWOJBQ-DEOSSOPVSA-N 486.597 5.062 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 917817999 CXJOPENCOBQRDU-UHFFFAOYSA-N 497.231 5.157 30 20 JKED Cc1ccc(-c2nc(C=Nn3c(S)nnc3-c3ccccc3Br)cs2)cc1 918710390 MAAGKHAHHUFDDC-UHFFFAOYSA-N 456.394 5.310 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCc1ccc(-c2ccccc2C#N)cc1 919210896 QAPKNABGKTUNTA-OAHLLOKOSA-N 453.325 5.394 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2c(F)cccc2F)c1 920008120 ZWWHOGCFHYLPNZ-UHFFFAOYSA-N 476.932 5.276 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)n2)cc1 920143090 DVLLJVNGLMGFOA-IRXDYDNUSA-N 486.380 5.355 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4c(c3)CCC4)N([C@H](C)c3cccnc3)C2=O)c1 920173909 XHMSBVKTFUAEKP-IBVKSMDESA-N 498.652 5.909 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1c(C)noc1C 920353678 PHGKQCZACHLWJW-JOCHJYFZSA-N 497.020 5.722 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccc3ccccc3n2)cs1 920358884 NBHRGXBFWLVVLW-UHFFFAOYSA-N 455.465 5.841 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 920867492 SNISGMKGCBHWCY-IFXJQAMLSA-N 497.514 5.087 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1 920892289 KKZAXIKECAJQNH-QHCPKHFHSA-N 497.599 5.190 30 20 JKED COC(=O)CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 920983589 LVYDSFLCFGRQLQ-QFIPXVFZSA-N 499.608 5.055 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(c3ccc(Cl)cc3)CCCCC1)CCO2 1778885263 ILINMVOACNXOEB-SQHAQQRYSA-N 485.068 5.140 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CCO2)C1 1779243891 FIQFWSZLEFWZGQ-LYZGTLIUSA-N 498.067 5.064 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1-c1ccc(F)cc1)C2 1779513813 YNXARJWMMQLMGS-FUFSCUOVSA-N 493.623 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3cccc(Cl)c3c2)C1 1781405540 HDACKGNXGXZDRQ-YIXXDRMTSA-N 484.040 5.008 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cc4cc[nH]c34)CCC2)cc1 1785935227 PAZNTZYIZLZPBN-UHFFFAOYSA-N 479.378 5.228 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ccccc3C(F)(F)F)CCC2)cc1 1786366512 APEBQHNZAHGHDA-UHFFFAOYSA-N 460.496 5.436 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C(F)(F)F)CCC2)cc1 1786677193 GJKQUNBPOIUYDJ-UHFFFAOYSA-N 452.498 5.274 30 20 JKED COc1cccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)C(C)(C)C#N)CCC3)cc2)c1 1788359056 RQPVDBMEJWAFSA-UHFFFAOYSA-N 468.557 5.055 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(C)noc3-c3ccccc3)cc2)CCC1 1788673039 JSUCVPRPAAFRKS-LJQANCHMSA-N 474.561 5.199 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)cc2)CCC1 1788682067 SODISVYOVNGNKL-UHFFFAOYSA-N 470.573 5.027 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc5cccnc45)cc3)CCC2)c(C#N)c1 1788913439 LHLBNZONBFDMKE-UHFFFAOYSA-N 490.563 5.105 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5cccs5)on4)cc3)CCC2)c1 1789776422 WMUHALPMIRTYHA-UHFFFAOYSA-N 486.528 5.475 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)cc2)CCC1 1790761376 WSHJWDBKCSUGCZ-UHFFFAOYSA-N 470.451 5.079 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(C)=O)c(O)c3)cc2)CCC1 1790814328 CISSEINXXHNNOH-UHFFFAOYSA-N 463.578 5.091 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4nc(C)ccc4c3)CCC2)cc1)C(F)(F)F 1791303245 RPKVZAZQZKKIFF-UHFFFAOYSA-N 453.464 5.409 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)[C@@]4(C)CC=CCC4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681435 UBPOWEVOMSBEHY-FIPFOOKPSA-N 493.648 5.433 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CN(Cc3ccco3)C(=O)OCC)cc2)CCC1 1791773333 MGIVCROLAUEFDZ-XMMPIXPASA-N 493.604 5.141 30 20 JKED CC(=O)Nc1ccccc1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1792132633 ADFIPYPJWXYMFK-UHFFFAOYSA-N 489.692 5.444 30 20 JKED CC(C)(C)OC(=O)Nc1ccoc1C(=O)NC1(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CCC1 1792231434 NDMKEKMFKMTIDY-UHFFFAOYSA-N 478.549 5.068 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1802496381 QCTWNDCEMZKWFT-IFMALSPDSA-N 473.539 5.412 30 20 JKED Cc1c(Cl)cccc1C(=O)NC[C@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1 1802742033 JTUALHVCADHWJL-ATIYNZHBSA-N 496.127 5.414 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c1Cl 1802778648 VYGBWKXMMAPTDO-UZUQRXQVSA-N 497.357 5.033 30 20 JKED CC1(C)CCC(CC(=O)N2CC[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2c2cccnc2)CC1 1802963959 PADWNCJFQIZUEB-RBJSKKJNSA-N 492.063 5.399 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1803083999 LUFVZDSJDAXCJA-CJFMBICVSA-N 494.060 6.038 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1803088727 GCQJVUCXKAVBOZ-URXFXBBRSA-N 451.998 5.131 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1803608386 SFJAXGLOJUPJPF-YLORPAJWSA-N 487.625 5.255 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)Cc4c(F)cccc4Cl)C3)CC2)c1 1805215745 STNUAYOEMMVQKA-IBGZPJMESA-N 481.999 5.194 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808488122 SILBPFJYZYFJGT-QFQXNSOFSA-N 475.976 5.118 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)nc2Cl)[C@@H]1c1cccnc1 1810667852 WKABFUURUKPHLQ-XLIONFOSSA-N 475.420 5.095 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@@H]1c1cccnc1 1812588052 ZEHRFSKGHUDOTM-LSRZYVKLSA-N 464.997 5.057 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(NC(C)=O)ccc2Cl)[C@@H]1c1cccnc1 1814000532 OHBHKRKGIXDCNY-YKSBVNFPSA-N 497.039 5.005 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2)[nH]n1 1814830082 ODFUJIKXDJMKGR-XMMPIXPASA-N 462.594 5.273 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)n[nH]1 1816179698 AGBQBOVIKMQNSN-MAUKXSAKSA-N 493.942 5.134 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c(-c4ccc(F)cc4)c3)n[nH]2)cc1 1816202506 CDDRDOBBWFKWKE-XMMPIXPASA-N 482.519 5.035 30 20 JKED Cc1cnc(Cl)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1816622314 CCKHVEFPIYNNEA-IIBYNOLFSA-N 476.968 5.013 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C(F)(F)F)c[nH]3)n[nH]2)c1 1818209071 VLNFYUMUKNBZBZ-XOBRGWDASA-N 484.482 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)[nH]n1 1819307052 NGCLVZWNXNHXKO-VGSWGCGISA-N 465.985 5.619 30 20 JKED Cc1cc2nc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)[nH]c2cc1C 1819332077 GHBOEUBFTBTJTL-HOYKHHGWSA-N 495.587 5.150 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819479630 GPEJECCNUTXAEB-KSRKCLLLSA-N 488.375 5.043 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820102253 QVFHEYBMNVJFLK-IBGZPJMESA-N 479.631 5.102 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)[nH]n1 1821985487 SDWDLGYIWUNJOJ-HXUWFJFHSA-N 471.483 5.061 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1821990962 ZSYYBDIYDXWIDI-MRXNPFEDSA-N 474.405 5.085 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[nH]n1 1822399816 AIOWTMMVJNLVCK-JOCHJYFZSA-N 477.996 5.372 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 1823286340 YLTGLMOJHUSXPT-VWLOTQADSA-N 472.589 5.365 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)CC2)C1 1823703434 ZGKWLQKNKHUBDN-KMDXXIMOSA-N 485.466 5.139 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 1824145343 WRDPJNBZOHGCEO-IZZNHLLZSA-N 486.100 5.331 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1824541929 NCRKFBNTDAARRU-OZXSUGGESA-N 478.658 5.774 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccsc3)CC2)c1 1825304541 VDPFXFCDYCWZPU-JJHGBTGXSA-N 461.631 5.322 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC(C)(C)C)CC2)cc1C#N 1826337580 MSTUSLVVHZGDDL-QHCPKHFHSA-N 453.627 5.015 30 20 JKED Cc1ccc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1827684443 BZJZDQJOLJRHHI-BREAQWACSA-N 464.631 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3ccc(OC)cc23)CC1 1828581150 NIFYMQVDWUCYSU-RUZDIDTESA-N 465.638 5.402 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2coc(C(C)C)n2)CC1)c1ccccc1 1829030520 QGSXPTKIMGPZDN-AZGAKELHSA-N 475.633 5.229 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C)nc2C)CC1)c1ccccc1 1829031918 HBBPVSUQWTYASC-NSOVKSMOSA-N 471.645 5.129 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Cl)CC1)c1cccs1 1829894207 KBUXOVZWBCDNIF-ZJVMWOEPSA-N 471.022 5.074 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1830115861 WFCRWCXJEIROAG-UQBPGWFLSA-N 494.035 5.523 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1830714201 UPMDQVABXJJKQP-RUNMITEXSA-N 484.575 5.125 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCc3cc(OC)ccc3C2)CC1 1831373463 PNGGGVGLHJIJAZ-OREGWCPLSA-N 466.666 5.022 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2OCC)CC1)C(F)(F)F 1831452860 DWAVYKIHRRPIHW-LJQANCHMSA-N 472.935 5.091 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1)C(F)(F)F 1831453889 QCGXGKCDSRRUFA-JOCHJYFZSA-N 484.518 5.938 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2)CC1 1832028278 KJTORMCIZJIUIJ-AREMUKBSSA-N 457.618 5.176 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1832033769 CAJFTJORFFKGNX-VWNXMTODSA-N 455.042 5.183 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CC4(CCC4)C3)CC2)cc1C#N 1832480439 VUPMSKCTJFRUKQ-RUZDIDTESA-N 477.649 5.159 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)c1 1832627553 FXNIXCMJFZZEGF-HXOBKFHXSA-N 499.442 5.563 30 20 JKED Cc1ccc2oc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)cc2n1 1832630771 MNPUCMYMKQPAGR-CLOONOSVSA-N 484.600 5.310 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc4c3CCCO4)CC2)c1 1832630863 OUZXBPVQWONBEC-CLOONOSVSA-N 491.657 5.247 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)/C=C/c3ccc(CCCCC)cc3)CC2)CC1 1833254628 GCLJSEWMWRITDN-ZXYASIKESA-N 479.709 5.216 30 20 JKED CC(C)(C)CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 1837642793 NJEMEHXPAVVBOV-UHFFFAOYSA-N 486.656 5.135 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4cc5ccoc5s4)CC3)CC2)c1 1838027308 YUXXUJFLPAQJRJ-SFHVURJKSA-N 491.613 5.047 30 20 JKED CCCCC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CC1 1838759549 WWXPOCDYWAAJHD-JOCHJYFZSA-N 497.680 5.174 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc(-c3ccccc3)n3ccccc13)C2 1844203019 PJQKVKZPZUDTRS-QHCPKHFHSA-N 453.586 5.192 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)c1 1845349285 PFEQVUXYKTVACO-OAHLLOKOSA-N 475.898 5.117 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)C1 1846431171 WXXQKVQSTFANPM-UHFFFAOYSA-N 456.936 5.097 30 20 JKED CC(C)Cn1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl 9847688 JACYPEDZDUYIPN-SPLOXXLWSA-N 468.454 5.443 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(CC)cc2)c1C 10169030 WNEGDMFNWYFKMM-UHFFFAOYSA-O 478.638 5.326 30 20 JKED Cc1ccc[n+](/C(C(=O)c2cc(C)sc2C)=C(\S)Nc2cc(Cl)cc(Cl)c2)c1 10179398 PRTSECXRYWADPX-UHFFFAOYSA-O 450.436 6.319 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Cl)cc2Cl)cc1 10836614 JNDBHVQJODOOKW-UHFFFAOYSA-O 466.360 6.172 30 20 JKED O=C(/C(=C(/S)Nc1cccc2ccccc12)[n+]1ccc2c(c1)CCCC2)c1ccc(F)cc1F 11126824 WEQJZOUKPXSXHN-UHFFFAOYSA-O 473.568 6.335 30 20 JKED N#CCc1ccc(OC[C@H](O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 15234718 JMBLGYWOTKRZPE-QFIPXVFZSA-N 476.989 5.186 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccc(OC)cc1 22213364 KEYDMXKJQMGXCO-QHCPKHFHSA-N 474.561 5.751 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc3c(c2)CCCC3)cc1 22731187 STULFAKIUMQXBL-UHFFFAOYSA-O 453.534 5.191 30 20 JKED CC(=O)Nc1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 23955525 MXKSIPJPSMSBAA-WVZLMVLXSA-N 479.580 5.155 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)c2)c1 32291796 OZWSZFPUCQGIOR-NDEPHWFRSA-N 475.548 5.117 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Br)cc1 59265902 BSWJZBMGIYWZLX-UHFFFAOYSA-N 477.815 5.668 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(COc2ccc(C)cc2)n1 72055950 PQLGKBDSIRBPMP-UHFFFAOYSA-N 489.410 5.689 30 20 JKED N#CCCn1cc(C(=O)COc2ccc(Br)cc2Br)c2ccccc21 104574181 DIOICWUVAGZZMI-UHFFFAOYSA-N 462.141 5.342 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 104861109 DYLSOHBMYIKZFW-UHFFFAOYSA-N 462.550 5.553 30 20 JKED CNC(=O)c1ccc(/C=C2/CC(c3ccccc3)C/C(=C/c3ccc(C(=O)NC)cc3)C2=O)cc1 212798435 BDSLVIWINDNBAV-OTMNIUQESA-N 464.565 5.020 30 20 JKED O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 409891869 JMLDZJMNBYTTPR-UHFFFAOYSA-N 452.717 5.350 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)cc1Cl 436526270 FACGLVZFKGXKIT-HSZRJFAPSA-N 488.975 5.127 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 479338618 AHZBEDSPYBOFPC-LJAQVGFWSA-N 486.575 5.192 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4cccc(Br)c4)n3)s2)cc1 487326010 XCWZVXKBOONVDR-UHFFFAOYSA-N 495.427 5.673 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)c2)cc1 501443088 LMZPEGUHOAIXHF-UHFFFAOYSA-N 488.012 6.214 30 20 JKED COc1cc([C@H](C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1OC(C)C 502577310 BIWPZPDJIYEBHX-FQEVSTJZSA-N 473.573 6.010 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 503523345 PIMMFNGCVSTWPE-UHFFFAOYSA-N 467.289 5.084 30 20 JKED CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H]1CCSc2ccc(Br)cc21 504572799 MLNFGYNFWSQJRH-HXUWFJFHSA-N 475.456 5.194 30 20 JKED CC[C@@H](C)n1c(SCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)nnc1-c1ccccc1 505034529 DJIYWYFEJXRTDF-QGZVFWFLSA-N 488.642 5.566 30 20 JKED CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1)[C@H](C)c1ccc(C#N)cc1 509556346 CHNTUMQAQWBWGL-HXUWFJFHSA-N 461.587 5.199 30 20 JKED C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C2CC2)o1 510244801 OLAUIDVOXNPTNF-IFXJQAMLSA-N 465.604 5.615 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 510247276 ZVIVZCOFBHNPJN-INIZCTEOSA-N 478.346 5.179 30 20 JKED N#C[C@@H](C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1nc2ccccc2o1 510633416 XWAQYBPAZBWEEP-KRWDZBQOSA-N 461.319 5.145 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C#N)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 514988867 PFMQBVAZUBBETJ-GOSISDBHSA-N 476.364 5.050 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2)cc1 515540142 GFHGAGNADDBLLH-FQEVSTJZSA-N 494.523 5.055 30 20 JKED COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)ccc2c1 516044997 SOFHSOXRWZFXHU-SANMLTNESA-N 497.982 5.754 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C(C)C)cc2)n1 516794827 NJWSCPHAZKCFAF-NRFANRHFSA-N 484.581 5.786 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C2CC2)cc1 517465686 BLQILBITVIOPCA-HXUWFJFHSA-N 461.509 5.226 30 20 JKED CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 518129346 TXWVWRFAADCZAU-UHFFFAOYSA-N 468.340 5.041 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 518137970 ZBEFTVGMNXNIAE-OAHLLOKOSA-N 467.934 6.545 30 20 JKED CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 518741428 ARALFHSZCTXAEJ-UHFFFAOYSA-N 455.543 5.224 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2)cc1 519122485 IEAOITTZBNWJBY-UHFFFAOYSA-N 495.988 5.043 30 20 JKED N#C[C@H](C(=O)c1cc(Br)cs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 519317083 PKEJAODRYTWXNE-LLVKDONJSA-N 458.189 6.431 30 20 JKED Cc1ccc(OCc2nc(CC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cs2)cc1 520530610 HLERXOXUFQMXOE-UHFFFAOYSA-N 455.539 5.876 30 20 JKED Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)s1 520689597 FZBCZMQELGGNBU-UHFFFAOYSA-N 485.565 5.268 30 20 JKED Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3SC[C@H](C)C#N)s2)c1 520813612 NDDMVJQQMNIWHJ-OAHLLOKOSA-N 455.634 5.573 30 20 JKED Cc1ccc(-c2nnc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)s2)c(C)c1 521295689 YJNBPNVVZZJHHW-UHFFFAOYSA-N 456.596 6.238 30 20 JKED C[C@H](C#N)CSc1ccccc1N[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 521731475 YWEXJFCOKAYGDK-CJAUYULYSA-N 459.571 5.137 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2Cl)c1 524437340 HOBNTVXSIFGESA-QHCPKHFHSA-N 489.959 5.931 30 20 JKED CC(C)[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc2c(c1)OCCO2 578789318 MIUCFOBEMUMZPM-MHZLTWQESA-N 473.548 5.578 30 20 JKED C=CCN(C(=O)Nc1ccccc1COCc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 596354668 WLZNEJWBOVMRHW-NRFANRHFSA-N 468.561 5.160 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 603457295 KOCVUSVLUBZYES-OAQYLSRUSA-N 472.545 5.232 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(OCc2ccccn2)c1 603829293 PYJPEURHBHRNAN-IBGZPJMESA-N 465.513 5.602 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cccc(OCc4ccccn4)c3)c2)c1 603831281 LYAMLGZMERGNAQ-UHFFFAOYSA-N 477.524 5.106 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 608936048 OKDIRWNBNPQQTE-UHFFFAOYSA-N 484.600 6.065 30 20 JKED CC(C)C[C@@H](C#N)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 608962391 HSJOZSIHBAVGJP-AWEZNQCLSA-N 458.406 5.067 30 20 JKED C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(OCc2cccnc2)cc1 609208955 LROZUVAFWFEXEM-FQEVSTJZSA-N 464.525 6.207 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 609377422 FJUDDPYIZNFVCB-RZRCNZQPSA-N 483.584 5.629 30 20 JKED C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nc2cc(Cl)ccc2c1=O 612490614 VZUYZXLMXKJDDJ-UHFFFAOYSA-N 458.996 5.511 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccc(CC)cc2)c2cccs2)nnc1-c1ccco1 614011760 BRBUROXVAPPRAW-QFIPXVFZSA-N 464.616 5.346 30 20 JKED O=C(c1cnccc1C(F)(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622517392 HVQMQHJZPAJCSB-HNNXBMFYSA-N 472.307 5.352 30 20 JKED Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CC[C@@](F)(c3cccc(C(F)(F)F)c3)C1)CC2 622584568 FNFIRBOBEAWRLU-XCLFUZPHSA-N 475.408 5.025 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 623050096 ONYINRMEIMIMJC-IUCAKERBSA-N 492.317 5.065 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 640561611 HIJYRGNHPGGPNG-UHFFFAOYSA-N 496.530 5.182 30 20 JKED C=CCn1c(SCc2csc(COc3ccc(Cl)cc3)n2)nnc1-c1cccnc1 648544537 SJCHFGCCLSNUIV-UHFFFAOYSA-N 455.996 5.507 30 20 JKED CCOC(=O)Nc1ccc2c(CNc3ccc(Oc4ccc(C#N)cc4OC)cc3)cc(=O)oc2c1 725840801 MQHHDSUYXSERFM-UHFFFAOYSA-N 485.496 5.646 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)c1ccccn1)c1cccs1 726418776 AZTOBLIXXFSSIX-LMYSHUMHSA-N 464.616 5.294 30 20 JKED C[C@H](OC(=O)c1cnc(Cc2ccc(F)cc2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 727217125 GNZUSIGQZZEYLV-AWEZNQCLSA-N 483.590 5.259 30 20 JKED COc1cccc(CC(=O)N2CCc3ccc(N=Cc4cc(Br)ccc4O)cc32)c1 727265800 ZPIVCBQJKGYPSH-UHFFFAOYSA-N 465.347 5.046 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 728062105 DQFMZAQVYBGPEM-MRXNPFEDSA-N 498.461 5.812 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 728412813 XBFDMVHRPGYSMQ-BTYIYWSLSA-N 471.479 5.307 30 20 JKED O=C1/C(=C\c2cccnc2Cl)CC2(C/C1=C\c1cccnc1Cl)C(=O)Nc1ccccc12 728699904 ZJFGMBBQCJJGKG-MJZABRMRSA-N 462.336 5.503 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1Cl 728779531 JONGVAXPESYONW-IBGZPJMESA-N 493.391 5.787 30 20 JKED Cc1ccc(CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C(C)C)s1 729035254 ZQEHFSRWJXTTBH-YYDJUVGSSA-N 476.668 5.092 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CCc2c(C)noc2C)c1 730445065 TUJRVEKLIZDXOQ-QHCPKHFHSA-N 494.592 5.250 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1 730530147 DBMUSRFXAXUTFD-XMMPIXPASA-N 472.614 5.421 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(F)c1 730534495 IGJLFBNWWSWSNE-LJQANCHMSA-N 497.514 5.150 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N([C@@H](C)c2cccnc2)C1=O 730943480 DIXXLXXZWGZWPG-CYFREDJKSA-N 488.613 5.429 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1[C@@H](C)c1cccnc1 730944456 BBGYMXHPINFBQR-FDDCHVKYSA-N 474.586 5.120 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2cccc(O)c2)C(=O)N1Cc1cccs1 731304317 OLAMTVALYNEDER-HXUWFJFHSA-N 465.600 5.231 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)cc1C 731310374 GRNSTZAPRSCSRX-JPYJTQIMSA-N 474.586 5.126 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CCC2CCCC2)cc1F 731312602 QCCRXJKRDYGNII-JOCHJYFZSA-N 485.581 5.081 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N([C@H](C)c3ccccn3)C2=O)cc1 743526311 VIJGYFSGCSWYKE-JPYJTQIMSA-N 476.577 5.559 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2c(F)c(F)nc(F)c2F)cc1 744739045 CKFFLRJQNXHTDV-UHFFFAOYSA-N 455.415 5.004 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 746697392 DFNQQJVOPLRODL-HXUWFJFHSA-N 459.999 5.117 30 20 JKED COc1ccc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)cc1OCCCC#N 747357470 PAPOOEDHKZHRMX-UHFFFAOYSA-N 458.543 5.007 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2-c2ccccc2)no1 750910545 MDLFGPUVGAFOKN-RUZDIDTESA-N 496.592 5.811 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3CC)N(CC(F)(F)F)C2=O)cc1 799223468 RMNIHZMFTIMTBE-IBGZPJMESA-N 479.524 5.170 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[C@H](C)c1ccccn1 837301896 PGAGDXGRWFYXPB-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2cccs2)C1=O)Nc1ccccc1 837673658 NAVFMFPMZSDPOE-LJQANCHMSA-N 487.553 5.510 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 837918015 YFOIPVGOWMZTPM-GAJHUEQPSA-N 476.577 5.505 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 915181001 VSHSVKFVPQSNDO-FKCDAAJZSA-N 471.557 5.010 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)c(Cl)c1 916205506 OXPAPWGMNQLIMQ-LJQANCHMSA-N 463.962 5.248 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(C)cc1 916211508 DBEPZSVXAIJWMA-HSZRJFAPSA-N 461.587 5.145 30 20 JKED COc1ccc(-n2c(SCC(=O)[C@@H](C#N)c3ccccc3)nnc2-c2ccccc2)cc1Cl 916622933 SGMJEEYFLNLDMX-FQEVSTJZSA-N 474.973 5.565 30 20 JKED N#C[C@H](C(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1nc2ccccc2s1 916846289 OXDGWZZZWDXZKN-OAHLLOKOSA-N 458.593 5.937 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 916884787 GJWQNCLSYKMYTH-INIZCTEOSA-N 462.720 5.582 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 916908947 GPBGTMBETRJXSG-OAQYLSRUSA-N 460.534 5.117 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)c12 916929781 AQAKQSHJYYNAQN-INIZCTEOSA-N 486.403 5.886 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(OC)c(Cl)c3)sc2C)cc1 916940921 ORGGOARNMVXFSE-GOSISDBHSA-N 454.935 5.355 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916975805 FYUWREOGHVUWOH-LJQANCHMSA-N 481.002 5.626 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1cnc(-c2ccccc2)nc1)C(=O)c1ccccc1 917143416 JYLZAJIOSDJQDN-NLRVBDNBSA-N 461.565 6.173 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@H](C)c2ccccc2)[n+]2ccc(C(C)(C)C)cc2)C=C1 917609636 KGTSDDLAKQYBIJ-LJQANCHMSA-O 474.650 5.604 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccnc(C)n2)cc1 917682975 OEROQBKVKDHDSD-QFIPXVFZSA-N 494.020 5.216 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)(C)C)CC2)cc1 917683296 UZNXSUYABLIDHB-HSZRJFAPSA-N 496.652 5.357 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCc2ccccc2)C1=O 917703524 NSYLOFKGKLAICY-VWLOTQADSA-N 498.608 5.160 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1 918034461 PLSXGKOIVVSOKJ-RUZDIDTESA-N 461.525 5.311 30 20 JKED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 918483735 NLCUPHVIJXQZFZ-HSZRJFAPSA-N 493.903 5.381 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 918711323 VBAKNDCGSFWULR-UHFFFAOYSA-N 491.520 5.179 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 919867597 BXDXVQYUHFPTQW-UHFFFAOYSA-N 463.628 5.810 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 920112018 VKQCBGPGPGNFKX-JOCHJYFZSA-N 464.308 5.405 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3cc(C)on3)C2=O)c1 920354043 YIMMDRKMALPLSV-NRFANRHFSA-N 498.992 5.114 30 20 JKED C=CCSCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)c(F)cc3F)CCC2)cc1 1786679546 SASSDTMCQDJDNF-UHFFFAOYSA-N 450.938 5.285 30 20 JKED CC(C)(Oc1ccc2ccccc2c1)C(=O)NC1(c2ccc(NC(=O)CCC#N)cc2)CCC1 1787888333 GTFCKYNTSBFSAW-UHFFFAOYSA-N 455.558 5.435 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cc(C(F)F)no3)cc2)CCC1)c1ccc(O)cc1 1788309660 LWGQRUIYZUBKLX-SFHVURJKSA-N 493.510 5.263 30 20 JKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)c5cc(C#N)ccc5F)CCC4)cc3)ccc2n1 1789034679 QCIFNUVVDSBBBR-UHFFFAOYSA-N 478.527 5.616 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5nccn5c4)cc3)CCC2)cc1C#N 1789082725 XUQCPXKUNAYHLG-UHFFFAOYSA-N 493.567 5.055 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cncn3-c3ccncc3)CCC2)cc1 1789624294 VRPJDLPUBYRIJV-UHFFFAOYSA-N 457.578 5.007 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc(C#N)c5Cl)CCC4)cc3)c2n1 1790024320 YXOQSDGVOZABQC-UHFFFAOYSA-N 499.958 5.158 30 20 JKED CSc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4)CCC3)cc2)c1O 1790068067 XMLVMIRXCHKBIP-UHFFFAOYSA-N 457.555 5.047 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC(C)C)cc3F)CCC2)cc1 1790567878 QPBLQVFSYGFSNA-SFHVURJKSA-N 469.557 5.162 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@]4(F)CCCCC4(F)F)CCC3)cc2)cc1 1790706998 BCUSHPKLMTVGQQ-RUZDIDTESA-N 469.507 5.418 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc([N+](=O)[O-])o4)CCC3)cc2)cc(C(F)(F)F)c1 1790785623 WYZZHVGIVZLWID-UHFFFAOYSA-N 498.417 5.140 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3cnc4c(F)c(F)ccc4c3)cc2)CCC1 1790965216 ZVSQNLLBBFRRPI-UHFFFAOYSA-N 467.541 5.180 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3n[nH]c4cc(Cl)ccc34)CCC2)cc1)C(F)(F)F 1791303177 QJCSIPQBLHFXEI-UHFFFAOYSA-N 462.859 5.083 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)cc2)CCC1 1791503640 HXXDSXZOYISVFL-QHCPKHFHSA-N 469.626 5.170 30 20 JKED Cc1ncc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)s1 1791960047 HESRPTBLVWTDQF-IENJSVCTSA-N 470.598 5.540 30 20 JKED C[C@H](NNc1ccccc1)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792122241 MNECWKYWAOUVAL-RTWAWAEBSA-N 481.600 5.067 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(O)ccc4F)CCC3)cc2)c1 1792127358 WTMIOPVMUFBART-KRWDZBQOSA-N 457.505 5.220 30 20 JKED CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C#N)c1Cl)c1ccc(F)cc1 1799307292 VWIGPJAIXJIVBT-KGSLCBSSSA-N 467.972 5.042 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C 1800832565 FDZGGHQWUFGCHZ-BJESRGMDSA-N 495.664 5.671 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2cccs2)[C@H]1c1cccnc1 1802438065 REXXIQKRXPNFKE-HHMCTSDTSA-N 451.636 5.245 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1803124929 YQTNKUYLSCZTNS-ZEQKJWHPSA-N 465.613 5.242 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1F 1803503310 TUFHSGHWTXOWSM-YRKLHJTHSA-N 498.602 5.109 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]1c1cccnc1 1803603079 GUDFPZFFBUKLJK-DFCKQENNSA-N 489.641 5.148 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)c1ccccc1 1804137055 VGDXGIORLUFARD-WMGXJHCHSA-N 474.567 5.191 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)CCc2ccccc2Cl)[C@@H]1c1cccnc1 1806682978 DDALJUQMEGZNKW-RDGATRHJSA-N 468.041 5.366 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4sccc4s3)[C@@H]2c2cccnc2)c1 1809759104 TYXZDFCOXZLUTQ-DVECYGJZSA-N 486.622 5.171 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)[C@@H]1c1cccnc1 1810070924 PHOJTKQPHNPXPP-CPJSRVTESA-N 477.008 5.304 30 20 JKED N#Cc1cccc(C(=O)N2CCC3(CCCN(C(=O)CCc4c[nH]c5ccccc45)C3)CC2)c1Cl 1810119845 BWKSRAZIQUBDQW-UHFFFAOYSA-N 489.019 5.171 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1810183389 VDHUDSCVSXZLKB-REHUZNOOSA-N 475.614 5.090 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H]1c1cccnc1 1810491589 DYLQMJCSNKTRLP-BKMJKUGQSA-N 498.067 5.592 30 20 JKED C#CCCC(=O)N1CC[C@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]1c1cccnc1 1811411769 ALWYCASQLVDPAS-AJTFRIOCSA-N 473.661 5.410 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCc2ccc(C)c3ccccc23)[C@@H]1c1cccnc1 1812592654 SCEPLWLPHPPCMN-OMRWSRCMSA-N 469.629 5.394 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1813768615 PXTPEKNOHJDFIP-YADARESESA-N 472.416 5.210 30 20 JKED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1813954044 TVXWZJGTZIXNPW-XRKRLSELSA-N 483.612 5.051 30 20 JKED CCOc1ccsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814343904 GRNWVXUTPQOTIN-OXJNMPFZSA-N 477.590 5.117 30 20 JKED O=C(C#CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1815117747 VKSMNBYQVLZIGU-FQEVSTJZSA-N 462.937 5.042 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817738569 CBGHVTHHJZPRCH-QHCPKHFHSA-N 475.618 5.005 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)[nH]n1)c1ccoc1C(F)(F)F 1818209791 ZWBATAIMVJGRCM-SFHVURJKSA-N 490.869 5.033 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818606757 DXXDTTBMRBXGOJ-PBHICJAKSA-N 488.013 5.385 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccccc4o3)n[nH]2)c1Cl 1818630852 HLSQKSDSHMHVMN-LJQANCHMSA-N 473.920 5.301 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccccc3c(Cl)c2OC)n[nH]1 1820236023 UPCCUSJRQKLORN-HRAATJIYSA-N 496.995 5.122 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc(F)c(C#N)c2)n[nH]1)c1ccccc1 1820910312 FZRPQQZPUSXKQD-IGKIAQTJSA-N 487.579 5.095 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2C(F)(F)F)[nH]n1 1821928780 PBHXKODGQXWTMM-ACJLOTCBSA-N 452.452 5.086 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(F)ccc(Br)c2C)[nH]n1 1821987754 QMMRLXIWKGUDOE-MRXNPFEDSA-N 499.331 5.137 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccccc2Br)n[nH]1 1822514178 GABDDBXEUONSRI-GSEYHLEDSA-N 471.399 5.090 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccncc3C(F)(F)F)[nH]n2)c1 1823212270 NHDBFOFVRSUPCX-QVKFZJNVSA-N 496.493 5.070 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(F)ccc2C(F)(F)F)n[nH]1 1823303460 UVTJQLBKBZVDDL-SCLBCKFNSA-N 452.452 5.086 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4ccc(Br)cc34)CC2)C1 1823700573 RNCWLHRRYUUBGP-HSZRJFAPSA-N 484.438 5.130 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1824142532 WEDTXBVPSCKDMZ-QPPBQGQZSA-N 454.577 5.292 30 20 JKED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3cccc(Br)c3)cc2)CC1 1826320517 BSDWYVJSUBWRQS-XMMPIXPASA-N 494.433 5.263 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1)c1cccs1 1828671851 HQJXLXGKHANNGW-WFNSPDMASA-N 493.654 5.030 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)Sc3cccs3)CC2)c1 1828777483 HYCZNYVWHGGECH-MBSDFSHPSA-N 497.686 5.042 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)CC1 1828779891 XAAXIDRXXNIKCF-WMZOPIPTSA-N 456.624 5.060 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1829066665 PVFUZJVYHRXCMN-VWLOTQADSA-N 465.638 5.402 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3nccc-3c2Cl)CC1 1829067717 VZAVKGZLBQLSES-NRFANRHFSA-N 471.045 5.394 30 20 JKED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)CCCCCC(C)(C)C)C2)C1 1829355857 FYMZFQURIOMPGS-LJAQVGFWSA-N 497.680 5.011 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)CC1 1829451030 JKMZPYJMISOOBS-RDJZCZTQSA-N 463.496 5.243 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)CC3)cc2s1 1829689891 VGTGKJUQXKDCTR-JOCHJYFZSA-N 495.048 5.610 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)CC2)c1 1829776999 IZAJZEIAPZJGQC-DEOSSOPVSA-N 495.583 5.175 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)c1 1829954914 UAYOYRPULUZNJL-VWLOTQADSA-N 484.625 5.229 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Br)ccc3F)CC2)cc1 1830011401 MEMXTDKGQAANCC-HSZRJFAPSA-N 498.396 5.007 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCc4cccc(Cl)c43)CC2)cc1 1830016471 GEHRTQNYGQGROM-NOZRDPDXSA-N 476.020 5.175 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 1830416945 UZTHLQUKKUZUKJ-SPCXXQJASA-N 459.675 5.014 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F 1830542299 WCSQZVOQIZODIA-SFHVURJKSA-N 496.879 5.711 30 20 JKED CCCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)CC2)cc1 1830632494 OYEAHCDOFHTCCY-MHZLTWQESA-N 457.618 5.252 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)c1 1830713889 OJWRVXFADZCZAS-YZIHRLCOSA-N 495.545 5.013 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(C#N)ccc3F)CC2)c(F)c1 1830716820 LPBDVLYULJIHRF-SANMLTNESA-N 495.570 5.171 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCC3CCCC3)CC2)cc(C(F)(F)F)c1 1830754816 KKFJGPNOIKZJCG-XMMPIXPASA-N 489.582 5.781 30 20 JKED COc1ccc(Cl)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)c1 1830770731 IENGSXVKOUJJMX-RUZDIDTESA-N 480.008 5.076 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Cl)c(OC(C)C)c(Cl)c3)CC2)C1 1830782767 HXDOUTIZMFDADE-HSZRJFAPSA-N 493.475 5.980 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)CC1 1830860444 CUDOUYYTKDOGMK-MHZLTWQESA-N 489.736 5.519 30 20 JKED CCCCCc1ncc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](S)C(C)C)CC2)s1 1831139626 INTDANIDUAFEDK-KNQAVFIVSA-N 465.729 5.064 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)c3cccs3)CC2)cc1C#N 1832704240 JOBBEYZSHIXNOW-YKSBVNFPSA-N 493.673 5.444 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)cc1C#N 1832704484 LPBJVOZMFSYCMX-VOHYGNEJSA-N 491.676 5.549 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1837685556 RLMWKQXNTOTRLY-RDPSFJRHSA-N 476.608 5.026 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)C2CCC(c4ccc(Cl)cc4)CC2)C3)c1 1844893732 UFTOPVVMHZUELA-UHFFFAOYSA-N 461.993 5.003 30 20 JKED C=CCn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1ccccc1 3485263 GNNFKIPOIMSSGL-UHFFFAOYSA-N 454.353 5.236 30 20 JKED CCOc1ccc(-n2c(COc3ccc(Br)cc3)nnc2SCCC#N)cc1 9163084 UQMLYTXEYDCPBY-UHFFFAOYSA-N 459.369 5.013 30 20 JKED C=CCc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(OC)c1 9532312 OYUZOUQAWFGSPY-GFCCVEGCSA-N 472.752 5.333 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(O)c2)c1 10172494 LIHDSPPGTWWIGS-UHFFFAOYSA-O 453.587 6.014 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1 10693857 MFUIGTQXWXHUID-HXUWFJFHSA-N 461.518 5.091 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccccc1OC 11451524 GDVIYGNLBDWYPT-UHFFFAOYSA-N 493.814 5.286 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)n(C2CCCC2)c1C 12481153 GVCDCAUOGXUISK-UHFFFAOYSA-N 480.663 5.401 30 20 JKED C[C@@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 15643719 KWSIBDGJPZWWCG-QGZVFWFLSA-N 472.566 5.304 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 20039190 YUQTUWQTDIEXDG-CABCVRRESA-N 464.616 5.672 30 20 JKED COc1ccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2C2CCCCC2)cc1 20042520 JXMNGIOQIIVDIL-UHFFFAOYSA-N 461.591 5.256 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cc(C)ccc2C)[n+]2ccc3c(c2)CCCC3)cc1 22729771 HZWQKGBADJSGHW-UHFFFAOYSA-O 459.635 5.919 30 20 JKED C=CCn1c(SCC(=O)c2ccn(C)c2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 23894576 DMJUKTMYGAMESS-UHFFFAOYSA-N 453.564 5.072 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)OCc2csc(-c3ccco3)n2)c1 25435460 LKHXIJKOXJBGNC-UHFFFAOYSA-N 475.551 5.363 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1 25440196 IAUQLEBYMNKXHD-UHFFFAOYSA-N 466.385 5.963 30 20 JKED O=C(/C(=C(\S)Nc1ccc2c(c1)OCCO2)[n+]1ccc2c(c1)CCCC2)c1ccc(Cl)cc1 28648952 MDMMIZUJPCFHKM-UHFFFAOYSA-O 480.009 5.328 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(F)cc2F)cc1 28793325 XQOUVAIETCHKNX-UHFFFAOYSA-O 470.565 5.403 30 20 JKED C=CCn1c(Cc2csc(NC(=O)c3cccc(OCc4cccs4)c3)n2)n[nH]c1=S 30599449 PTOLQRIBWOFLJJ-UHFFFAOYSA-N 469.617 5.067 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2nc3c(ccc4ccccc43)s2)CC1 36748067 PADOBKQJOORJOJ-UHFFFAOYSA-N 469.526 5.424 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)o2)cc1 46581974 PKLYEAKMZHJNLG-LJQANCHMSA-N 474.611 6.126 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 107805272 MWJAQMIPFHNCOO-UHFFFAOYSA-N 480.499 6.006 30 20 JKED COc1ccc(-c2nc(CC(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cs2)cc1OC 195664212 TZCNZHVRLUZXCY-HNNXBMFYSA-N 469.975 5.509 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nnc1-c1ccccc1F 215789528 MRYICYIWLNYJFW-JOCHJYFZSA-N 482.581 5.469 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1ccncc1 255930096 WKVKRWXQXVJSIN-UHFFFAOYSA-N 459.600 5.408 30 20 JKED O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCN(C(=O)c2ccccc2F)CC1 302964009 QSVQURGJWWTJKC-AATRIKPKSA-N 488.403 5.298 30 20 JKED CC(C)(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)S(=O)(=O)c1ccc(Br)cc1 303133314 OSLWCCIUHFPGCV-UHFFFAOYSA-N 499.386 5.304 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(Cl)ccc1I 303315588 SCBXKTKAKLUFEC-NSHDSACASA-N 456.736 5.449 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1 409786323 ATAOPNCQBYYNTH-KCWPFWIISA-N 455.558 5.621 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCc1csc(CC(=O)Nc2ccccc2C)n1 476679407 WMPJNUIRQWFULC-UHFFFAOYSA-N 475.643 5.293 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)s2)cc1 487317152 DMVIJYWJJYTIAT-UHFFFAOYSA-N 450.976 5.564 30 20 JKED Cc1cccc2[nH]cc(CCNC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)c12 487422385 XVXFPFBLNGUJCM-UHFFFAOYSA-N 468.582 5.051 30 20 JKED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 501168103 ZVFHTBQHZTXSRW-HHHXNRCGSA-N 455.533 5.075 30 20 JKED C=CCOc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 501189943 XSHJDMOCOFNTCA-UHFFFAOYSA-N 455.358 5.727 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 505684926 SZMYPNHRGUWIBS-SFHVURJKSA-N 474.536 5.548 30 20 JKED C[C@H]1CN(Cc2ccccc2CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H](C)O1 509904412 IJHUJHKGLFWAKU-GOTSBHOMSA-N 498.627 5.263 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 510555556 VFWHHHODKQUXHB-UHFFFAOYSA-N 472.570 5.692 30 20 JKED COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 511338546 RWTQWFJGLFAWTB-SANMLTNESA-N 471.557 5.718 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCC(F)(F)C(F)F)nc3)cc2F)c1 511863302 ZLINXJSZMHMESG-UHFFFAOYSA-N 477.389 5.203 30 20 JKED COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)c1 512394861 LEMXQEOZHQRPAM-UHFFFAOYSA-N 471.538 5.530 30 20 JKED Cc1cc(N2CCSCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513869479 LSNGEVPTEJCVCT-UHFFFAOYSA-N 474.605 5.793 30 20 JKED CCN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H](C)c1ccc(F)cc1 516045915 UANPPTDBFXGWOL-GAJHUEQPSA-N 463.940 5.683 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1 517800829 LBYCEXGPPNVXMD-HXUWFJFHSA-N 458.518 5.122 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-])c1ccccn1 517891443 MENBOQLVNGXXSB-CRAIPNDOSA-N 470.514 5.171 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)n2)cc1 518516743 VWZLILADMYPOJM-LJQANCHMSA-N 478.562 5.481 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2ccc(F)cc2Cl)cc1 518671965 MZKDCZVDOSHLOD-BXKMTCNYSA-N 496.007 5.884 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 520797774 IVJZYCFXOJBZJC-UHFFFAOYSA-N 465.862 5.074 30 20 JKED CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c12 520835275 FRDGAEWXXSLHLD-UHFFFAOYSA-N 474.508 6.500 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)cs1 520845442 HCFSYXBNBJBUTI-JKSUJKDBSA-N 464.616 5.186 30 20 JKED CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 521517098 TYQNJLMMRRNZPN-UHFFFAOYSA-N 487.865 5.620 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)c1 524139360 CENSTOWPCOLORL-DEOSSOPVSA-N 482.584 5.637 30 20 JKED Cc1occc1-c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)n1Cc1ccccc1 589940452 YSVBCOPOUDHQQL-UHFFFAOYSA-N 489.626 5.438 30 20 JKED C=CCN(C(=O)c1ccc(CCCC)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 590474548 BXUHJVYDSNDNAL-UHFFFAOYSA-N 454.617 5.389 30 20 JKED CC(C)(C)C(=O)N1CCC(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 603807786 XWYSFCLENSJIRQ-OAQYLSRUSA-N 452.986 5.154 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC1 603896430 RAGUMTAUOXXJMV-UHFFFAOYSA-N 452.533 5.053 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)s2)cc1 604085007 SGERFFXFRNBNQY-INIZCTEOSA-N 463.510 5.517 30 20 JKED COc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1OC 604088250 OMYZATHYYBTOOR-UHFFFAOYSA-N 451.910 5.685 30 20 JKED CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C(C)C)cc1 604137932 CRHNAPZQSIQMJO-SANMLTNESA-N 470.573 5.540 30 20 JKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)[C@@H](C)Oc4ccccc4C#N)cc3s2)s1 608818015 RZLDYTAGSBCFPI-CQSZACIVSA-N 462.556 5.196 30 20 JKED C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(NC(=O)Nc2ccccc2)cc1 609109921 VLFZOCZNNSYHBZ-KBMIEXCESA-N 453.546 5.048 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C 609156706 ILLJSNOAHGIXGG-NIJXNBFTSA-N 494.595 5.777 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 609207542 CPQSCDSMJAETDY-QHCPKHFHSA-N 487.535 5.013 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 609400752 VAVIIJGWRQVZKI-IQGLISFBSA-N 489.666 5.723 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc2cc(Cl)ccc2s1 613407470 UMRFCLTZWNDNBJ-HNNXBMFYSA-N 457.740 5.388 30 20 JKED C=CCN(C(=O)c1oc2ccc(OC)cc2c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 614252976 ITEMWRLOJVGDJS-UHFFFAOYSA-N 482.583 5.110 30 20 JKED O=C(CCc1ccc(Br)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 621030513 TYJOSKJCWOQRBM-PHIMTYICSA-N 450.192 5.110 30 20 JKED C=CCn1c(Sc2cc3c(nn2)CCC3)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 621740725 FVUNZVYYXUEEJY-UHFFFAOYSA-N 450.564 5.188 30 20 JKED O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 622519846 RWQDEAATYCDLRU-UHFFFAOYSA-N 451.729 5.955 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S/C1=N\CCc1ccccn1 726109617 OQZSQLMIFGWOSG-ZMRQUTOFSA-N 499.851 5.323 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@H](C)OC)cc1 726394271 UJPWGFMSWUPJKT-CVDCTZTESA-N 467.635 5.251 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CC(F)(F)F)c1cccs1 726414262 AJNACNKFQJHNFG-OENWRYNSSA-N 493.935 5.493 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 726733186 REHWRCDMEQTIAZ-SFHVURJKSA-N 483.505 5.292 30 20 JKED CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 728163728 ZYWIGTWQSGNWOD-GGXMVOPNSA-N 477.612 5.023 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2cccs2)c1 728422630 DLYRECLVFNXIJB-OAQYLSRUSA-N 460.584 5.089 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCCCC#N)C1=O 728777231 JPUJIJLBDWICBM-HXUWFJFHSA-N 498.992 5.001 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1Cl 728778112 QDZTVHBIKCFNGC-LJQANCHMSA-N 458.946 5.133 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 728778192 RDOOHFRYXMHXAW-HSZRJFAPSA-N 474.561 5.633 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(Cl)ccc(C)c2Cl)[n+]2ccccc2)c1 729670051 KVBUUNRMPPKCPM-UHFFFAOYSA-O 464.350 5.020 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc2cc(Br)ccc2c1Cl 729889589 QPJUJKIKQWMHAC-ZDUSSCGKSA-N 477.767 5.677 30 20 JKED COc1ccc(/C=C(\C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)c(Cl)c1OC 730435159 YBOAQACCCWHZMX-RGEXLXHISA-N 479.916 5.033 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2C2CCC2)cc1Cl 730463454 XQFDKMJFXLMYBR-NRFANRHFSA-N 485.993 5.064 30 20 JKED Cc1cccc2c1CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(Cl)cc1 730717466 NDMUSEGYWXALHD-LEWJYISDSA-N 492.004 5.086 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)cc1F 730718619 MKTSFKOUPJUUIC-QHCPKHFHSA-N 488.544 5.436 30 20 JKED N#C[C@@H](C(=O)COc1ccccc1OCc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 730923439 LNWKHABLXXBWSJ-SFHVURJKSA-N 476.504 5.923 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 731078291 OEWKQXTWDHLMHM-AWEZNQCLSA-N 489.384 5.226 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 731288809 XGXQSGXECOQLMS-PQNIMMIESA-N 473.642 5.340 30 20 JKED N#Cc1ccc(CNC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)cc1 746542239 HKSCOMCJTHPUAF-XSFVSMFZSA-N 479.561 5.128 30 20 JKED N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)Nc1ccc(Cl)cc1Cl 747111649 ILMRJDBHYLZIET-ZDUSSCGKSA-N 466.371 5.291 30 20 JKED N#Cc1ccc(C(=O)OCC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)cc1 747903454 POXWJOPDXGIUIV-UHFFFAOYSA-N 471.513 5.211 30 20 JKED Cc1csc(SCc2ccc(C(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)cc2)n1 748782200 FFEXLJMTSKTMRK-UHFFFAOYSA-N 485.638 5.126 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(-c4ccc(Cl)c(Cl)c4)c3)CC2)c1 749332758 PETAIJIMRXESOD-UHFFFAOYSA-N 493.394 6.415 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(F)(F)F 750393855 AKQPEEXECYPYIG-SFHVURJKSA-N 474.504 5.877 30 20 JKED N#CCCn1cc(C(=O)COC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)c2ccccc21 772088573 SPFQDTQGGHDSNN-QNGOZBTKSA-N 458.514 5.722 30 20 JKED CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 773313208 YEWPUTDBRVKKIF-QGZVFWFLSA-N 473.554 5.375 30 20 JKED Cc1sc2ncn(N=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)c(=O)c2c1-c1ccccc1 818230357 HBOMJVMSRWPSNO-UHFFFAOYSA-N 472.551 5.952 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c1 837748825 QEEZBTNEROSYFW-FQEVSTJZSA-N 469.563 5.056 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@@H](C)CCc1ccco1 838486634 QKFSZUHLQWCTQN-GAJHUEQPSA-N 495.576 5.409 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccc(Cl)s2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839726692 VRNYHELPDXSRML-KRWDZBQOSA-N 455.889 5.585 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 915086948 OBJZFJQMTPNBQU-MHZLTWQESA-N 481.577 5.419 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)n2)cc1 915102284 VGKFJNWTCVBLDA-MRXNPFEDSA-N 488.619 5.495 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)cc2)cs1 915776957 CYRDUXXEWBKPKZ-BVZFJXPGSA-N 480.593 5.590 30 20 JKED Cc1ccccc1-c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)c2cnn(C(C)C)c2n1 916910232 QVHOPHRYEODPPF-IBGZPJMESA-N 471.948 5.602 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 916954505 IMYRCMMEIIKUNK-ZHRRBRCNSA-N 481.474 6.367 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 916977582 UZBKVWZTBUSNRH-MRXNPFEDSA-N 487.393 6.135 30 20 JKED CCCCCCNC(=O)[C@H](C#N)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 917424543 FOFJHEHKAVZOEX-MRXNPFEDSA-N 463.962 5.120 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 917517629 JWLUSUUKMGKWFK-WCIBSUBMSA-N 452.436 5.100 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(Br)c2)cc1 917612768 HGKVJVYEQNRCNB-UHFFFAOYSA-O 493.450 6.229 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1Cl 917680283 IAEUEHDKRAMOIW-SFHVURJKSA-N 499.942 5.356 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 917686974 JHJMTMGDSSQFAG-FIXSFTCYSA-N 494.636 5.030 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704642 WFOTTWUPKOMNHX-HXUWFJFHSA-N 478.574 5.228 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 918462776 KYQXCCAEVGNRQU-KRWDZBQOSA-N 479.429 5.134 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 918630094 MZCIADKWANEHOM-UHFFFAOYSA-N 488.540 5.107 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 920110353 OUKIGRQAGZYBFP-QGZVFWFLSA-N 458.008 5.758 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)n2)cc1 920139648 WPQIKHXTURFSAB-KNQAVFIVSA-N 474.586 5.248 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3c(C)noc3C)C2=O)c1 920355986 RHLWOGLNAFAGQU-QFIPXVFZSA-N 497.020 5.722 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 920357967 WVENZFPCYUVNQJ-HXUWFJFHSA-N 468.966 5.105 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 920891896 GAQUIFURHFOULN-HXUWFJFHSA-N 472.589 5.389 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 928981586 SLDLZDWLOZYNSO-UHFFFAOYSA-N 478.599 5.079 30 20 JKED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C4CCCCC4)c(C(F)(F)F)c3)C2)C1 1780170669 KATLXKCYHBIFQH-AREMUKBSSA-N 490.566 5.000 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)c3ccccc3n4CC)C2)C1 1780205049 PSFXJJDSJWDAOP-WVXBCFDCSA-N 485.628 5.026 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@@H](CCC)NC(=O)OCc4ccccc4)CCC3)cc2)C1 1785803687 UIYXFNSWYYOWNZ-RUZDIDTESA-N 489.616 5.182 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5cc(F)cc(F)c5)[nH]n4)CCC3)cc2)C1 1785806817 IXYQDPOFDZGQDF-UHFFFAOYSA-N 462.500 5.069 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)Cc3ccsc3)cc2)CCC1)NC(=O)OC(C)(C)C 1788242794 KUTAQEILFJDMCC-JOCHJYFZSA-N 497.661 5.284 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cccc(C)c3)cc2)CCC1 1788362791 YFMJWSHCFXJULO-UHFFFAOYSA-N 497.595 5.314 30 20 JKED Cc1cccc(-c2ncccc2C(=O)Nc2ccc(C3(NC(=O)C4(C#N)CC4)CCC3)cc2)c1 1788363143 CYJFTDVHLSRWQR-UHFFFAOYSA-N 450.542 5.109 30 20 JKED CC(C)(C)OC(=O)CCCC(=O)NC1(c2ccc(NC(=O)/C=C/C(=O)c3cccs3)cc2)CCC1 1788649671 VEWVSIIPIBFPDA-CCEZHUSRSA-N 496.629 5.133 30 20 JKED Cc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(C(F)(F)F)c[nH]4)cc3)CCC2)c1 1788721192 ISUXREWZCUUCQD-UHFFFAOYSA-N 466.463 5.275 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)CCC1 1788835021 QFBPKQDCVUMSBD-SFHVURJKSA-N 476.602 5.359 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)NC1(c2ccc(NC(=O)/C=N/N3CCCCC3)cc2)CCC1 1789514952 UUXUZNDUQXCMMS-RUMWWMSVSA-N 495.627 5.276 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccn(C(C)C)n4)cc3)CCC2)cc1C#N 1790167605 PGNAMKOUJWPLGE-UHFFFAOYSA-N 485.588 5.184 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4F)CCC3)cc2)ccc1F 1790520782 DJDIPHPWKKBUAY-UHFFFAOYSA-N 484.506 5.308 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3cnc4ccccc4c3)CCC2)cc1 1790563698 ILHSIRDKKUGBCZ-HXUWFJFHSA-N 472.589 5.102 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cccc(-c5cnco5)c4)cc3)CCC2)cc1 1790707382 HEXALKYUYRSDLY-UHFFFAOYSA-N 476.536 5.204 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4cc(Cl)ccn4)CCC3)cc2)c(Cl)c1 1790767733 ISXHZLHRDDRYHQ-UHFFFAOYSA-N 495.366 5.087 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)cc2)CCC1 1790773377 BJJHHHRFTHVHOH-UHFFFAOYSA-N 493.362 5.390 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(OC)cc3)CCC2)cc1 1791295912 BMHFAWRXCSTUKA-FGZHOGPDSA-N 454.517 5.144 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)C[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CCC2)cc1 1791587638 AENJXJLHBQJBJZ-HXUWFJFHSA-N 469.626 5.124 30 20 JKED COC(=O)CCCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)cc3Cl)CCC2)cc1 1791662826 BPQYQZXYYWDGHG-UHFFFAOYSA-N 481.980 5.083 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(Br)ccc2s1 1798080167 CFNJZISOTFDDNX-MUJYYYPQSA-N 483.378 5.127 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccnc1 1803565830 OSIOFHBRBJBQHA-PXJZQJOASA-N 483.612 5.051 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)cc2C(F)(F)F)c1 1803857837 ZCTPCURGDMVZSW-PPRPKMEESA-N 473.470 5.037 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)C1 1806065602 GJQWGFPLCJITGV-NRFANRHFSA-N 471.494 5.112 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1808155351 HXQHUDISEMOOME-QFQXNSOFSA-N 491.035 5.613 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)C2(c3ccc(OC)cc3)CCC2)[C@H]1c1cccnc1 1808238437 SPSZHEJZYGMVEU-ZEQKJWHPSA-N 489.660 5.210 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(-c3ccccc3)n2)[C@@H]1c1cccnc1 1808546999 SLCZPKXIOMHPAX-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1810173819 XHIVDYXCZCZVOD-GSLIJJQTSA-N 487.644 5.273 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 1810175301 VCAZFUKGIUCHNY-ZDXQCDESSA-N 496.449 5.241 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810409918 OUEBDPZDMVEYKC-HOFKKMOUSA-N 491.607 5.098 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811138820 GKNVAJSTRPVMPD-VDGAXYAQSA-N 499.986 5.028 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1811768290 NMFKNLCVOBOFCT-REWPJTCUSA-N 471.523 5.188 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CCCC2)[C@H]1c1cccnc1 1812986585 OAEFKRQWJXOANY-UWDQQESISA-N 480.052 5.465 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1813045002 DDJMTSHWHAIMCE-IAOIPLGRSA-N 492.063 5.518 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4c(Cl)cc(C)nc4c3)[nH]n2)C1 1814395467 WCCLRZLERWTOFF-JOCHJYFZSA-N 463.969 5.192 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(C#N)cc2)n[nH]1)c1ccc(F)cc1 1814499384 HMKFQCDNFNMDPN-SQHAQQRYSA-N 487.579 5.095 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1815205771 LRJJCICWNLIICW-VIOKTNGOSA-N 490.526 5.117 30 20 JKED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)[nH]n1 1815243394 JRQNBVVQVBLZKS-APWZRJJASA-N 460.600 5.024 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)n[nH]2)cc1 1818927211 PETSZAIWFONEEO-STAYPELNSA-N 473.621 5.123 30 20 JKED CCC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[nH]n2)CCC1 1818950683 DYBSIBJTQTXXNH-LJQANCHMSA-N 473.499 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccccc2)[nH]n1 1819306009 UUDVKNGPBZPYNZ-IFMALSPDSA-N 473.577 5.447 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(-c4ccccc4)nc3)n[nH]2)c1 1820036229 AFTYYMOPRHZGCT-SANMLTNESA-N 490.567 5.272 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)cc1C 1820220809 BPLMFNGOKXRIIX-OAQYLSRUSA-N 491.979 5.180 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3c(c2)c2ccccc2n3CC)n[nH]1 1820225537 JNGVPWMLYMDHNM-DEOSSOPVSA-N 455.562 5.420 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)[nH]n2)cc1 1820547727 YOTVVACULFNGQH-JOCHJYFZSA-N 472.936 5.036 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(OC(C)(C)C)cc3)n[nH]2)c1 1821149442 SMJHRMUSUHTZBF-DEOSSOPVSA-N 485.588 5.387 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)c(Cl)c1 1821280442 SHDHVPFQNYDDJY-LCSKWRJPSA-N 465.985 5.211 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1821923699 NKFUMFHRIAQHEZ-HTAPYJJXSA-N 461.541 5.129 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1821987397 SUNOOOXNKIBDQA-IBGZPJMESA-N 493.514 5.668 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)c3cccs3)[nH]n2)c1 1823215758 CLTAGVAGONQQPO-WWMYMODYSA-N 461.591 5.208 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)[nH]n2)c1 1823216260 RNFXLXAEOLIWNN-NVRHSEEHSA-N 493.611 5.465 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)CC2)C1 1823701292 FXVNLEUIOCAUMI-XMMPIXPASA-N 481.036 5.701 30 20 JKED Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1823896226 RAOMRLGITUQLOM-FNZWTVRRSA-N 461.581 5.308 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1Cl 1823911405 ZYKCTYXRGDSEID-DEOSSOPVSA-N 467.972 5.206 30 20 JKED C=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc5c4oc4ccccc45)sc3C2)C1 1824417978 OGDZEQJWLRLEID-MRXNPFEDSA-N 457.555 5.235 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1824539979 YHKXWQYSZWMASC-QUCCMNQESA-N 457.467 5.181 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 1824830556 PDIWORKRCQPFTO-VNXZQDSDSA-N 475.555 5.160 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCc2ccncc2)CC1)c1ccccc1 1825253274 GMDJWGJHFIMFQR-VMPREFPWSA-N 485.672 5.221 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC3CCCC3)CC2)cc1C#N 1826265441 UWMPADSHAKLZFY-VWLOTQADSA-N 465.638 5.159 30 20 JKED Cc1cc2cccc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@@H](C)C#N)c4)CC3)c2[nH]1 1828211441 AWBCDUWSRZNSGQ-DCFHFQCYSA-N 482.628 5.651 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828217256 OCCXHXBWPMOHGN-VWNXMTODSA-N 464.606 5.449 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828423104 YTRRZIXUINMMAU-DPLHUUCSSA-N 454.577 5.292 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828507953 KRQSVNBFYQTYIL-DEOSSOPVSA-N 481.434 5.249 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4s3)CC2)cc1 1828547399 RSEIBSBKLDEXIS-OAQYLSRUSA-N 477.655 5.310 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 1829066557 JDSQUJVMPDZEEJ-QHCPKHFHSA-N 494.705 5.739 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC(=O)OC(C)(C)C)CC1 1829068227 LFGUGDGEMIWRPQ-QFIPXVFZSA-N 462.675 5.111 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)CC1 1829290359 PPJXJDXURBOZDO-UKILVPOCSA-N 461.606 5.343 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cc(Cl)ccc3Cl)CC2)c1 1829779985 NETAIOZOTZUXIK-HSZRJFAPSA-N 487.431 5.059 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)c1 1829956474 IPKOVMAKJVHCAB-RUZDIDTESA-N 476.020 5.177 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)cc2)CC1 1830061933 IIMWAPRCYCKYNQ-DQEYMECFSA-N 497.680 5.088 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1 1830417667 GRTWTVGASNICME-JPYJTQIMSA-N 496.479 5.347 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830494290 SSYAIMJFEZXWPX-CUNXSJBXSA-N 491.632 5.513 30 20 JKED Cc1cc(F)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1830506489 DFMIURLMGNHHRJ-XMMPIXPASA-N 467.972 5.206 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC)c(OCC3CC3)c2)CC1 1830681573 RUWZEVJIPNLLFV-UIOOFZCWSA-N 494.676 5.486 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ncccc3-c3ccccc3)CC2)c1 1830719215 VKIFUGQCCIJWMT-MHZLTWQESA-N 496.586 5.306 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)nc3ccc(F)cn23)CC1 1830895076 QDJNOIUGMWUDPV-JOCHJYFZSA-N 468.617 5.008 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c3cccc(OC)c23)CC1 1830943746 FHCLWRWDXPDWDI-HSZRJFAPSA-N 465.638 5.402 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1831238561 YNABWEMURAAWMQ-PGRDOPGGSA-N 450.545 5.091 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 1831376386 MTNFLEOWTLVXLG-AVRDEDQJSA-N 450.545 5.080 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)c1 1831565633 IEFSWTWKEHMJQZ-LSCGWGKXSA-N 479.665 5.263 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)c1 1832630810 NDEGJYBJEGOINR-SIBVEZHUSA-N 479.571 5.068 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)CC1 1838373582 XMRASHOSAZUBNX-OAQYLSRUSA-N 496.545 5.225 30 20 JKED C[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)CC1)c1ccccc1 1838390444 AASBKNXZVUKXIH-DEOSSOPVSA-N 496.768 5.230 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CCCC23CN(C(=O)c2cccc([C@@H](C)C#N)c2)C3)c1 1845530496 JXTHHVYJSYJIAW-SFHVURJKSA-N 494.433 5.330 30 20 JKED Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 10172507 JFNCXFXKCGASHX-UHFFFAOYSA-O 486.060 6.886 30 20 JKED Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(Cc2ccccc2)cc1 11166834 XLQSDEYUJAGASD-UHFFFAOYSA-O 473.568 6.202 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(C)c(C)c2)[n+]2ccc(CC)cc2)cc1 11250907 AGLXVVAGNBDTOZ-UHFFFAOYSA-O 461.607 5.381 30 20 JKED N#Cc1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)c(F)c1 14205138 QJZPDVLSJHHQFP-UHFFFAOYSA-N 475.515 5.575 30 20 JKED C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 16760652 KFKOSMQDYJGWNQ-ZDUSSCGKSA-N 466.916 5.389 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2ccc(OCC)cc2)c1=S 16878944 KVPXMWINKAHIGT-JOCHJYFZSA-N 450.608 5.469 30 20 JKED COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccccc1SCC#N)c1ccccc1 22143352 DJPUNUQYKXJTON-HEHNFIMWSA-N 458.539 5.033 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)s2)=C(/S)Nc2cccc(Br)c2)cc1 22732636 ZBRWMLKTKZVVPQ-UHFFFAOYSA-O 460.442 5.720 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 23518747 JNTFPSMQBBOCPH-SJORKVTESA-N 480.565 5.286 30 20 JKED N#CCN(C(=O)CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1)c1ccccc1 24295098 WUOYNKJUUJQCHP-UHFFFAOYSA-N 489.988 5.149 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)nnc1-c1cccc(C)c1 29830699 ANWGOXFOKOXQFD-QFIPXVFZSA-N 490.629 5.057 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 31286474 SOPVHZXZZDVBGQ-SFHVURJKSA-N 463.759 5.115 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1OCc1ccc(F)cc1 32042058 QHWZBDGZSFTPQO-GJZGRUSLSA-N 463.393 6.044 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)c2)c1 32289056 PDOQDBOOGITWCC-UHFFFAOYSA-N 453.523 5.703 30 20 JKED C=CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2cc(Cl)ccc2c1=O 104496701 HJUXFIDTBDOXQZ-UHFFFAOYSA-N 462.962 5.079 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)nn(-c2ccccc2)c1N 409497963 CQRIPHJCOLBBCS-UHFFFAOYSA-N 478.984 5.055 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 409641374 XSDXPEHPKMYARY-QGZVFWFLSA-N 480.447 5.260 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 489418852 RIWVOZGFUAECLV-UHFFFAOYSA-N 473.667 5.694 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)nc2ccsc2c1=O 490311766 AVOFMPAAMMRQCG-UHFFFAOYSA-N 469.636 5.004 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 492245682 HWDXYTCZNRUQFX-UHFFFAOYSA-N 459.289 5.423 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 500757844 XJVHRCQVQCDXBU-UHFFFAOYSA-N 458.499 5.142 30 20 JKED COc1cc(CCC(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc(OC)c1OC 501160246 LGNVSWPILHDFNQ-UHFFFAOYSA-N 462.521 5.198 30 20 JKED CSc1cccc(N2C[C@@H](C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2=O)c1 501421492 MUSBUQHEULWKHP-NRFANRHFSA-N 471.582 5.045 30 20 JKED Cc1nc(CSc2ccc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)cs1 501726880 DLITZXJQKCXHGS-UHFFFAOYSA-N 476.627 5.106 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 505626832 XXPGRUVZKFPDMG-UHFFFAOYSA-N 493.475 5.001 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 507934791 GOGLLTXRLLZOHR-UHFFFAOYSA-N 461.930 5.587 30 20 JKED Cc1nc(CN2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cs1 510024691 WGGVUVVKSAEZEV-QFIPXVFZSA-N 466.010 5.110 30 20 JKED N#C[C@H](C(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1nc2ccccc2o1 510628339 KNIXARAWUYUUNX-QGZVFWFLSA-N 460.287 5.333 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)c(C#N)c(C)c1C 511606146 MNGMQTYCGXYKFQ-UHFFFAOYSA-N 479.005 5.539 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])n2)cc1 512499479 OTMNPHAORHSIQX-MRXNPFEDSA-N 477.420 5.158 30 20 JKED C=CCN(C(=O)CSc1nnnn1C(C)(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 514704320 VZEKGAZSYJBGCV-UHFFFAOYSA-N 483.450 5.170 30 20 JKED CCCN(C(=O)COc1c(Br)cc(C#N)cc1OCC)[C@H](C)c1ccccc1OC 515067849 IZNBTLVYIJAENW-MRXNPFEDSA-N 475.383 5.107 30 20 JKED C[C@@H](c1ccccc1)n1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1ccccc1 515572256 UIOQIKNHPGNFCY-NRFANRHFSA-N 467.598 5.593 30 20 JKED C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 516038900 HFJZDVIBSVVZDM-OXJNMPFZSA-N 489.000 5.763 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1 516452677 ASURPBOPKFIBKI-QFIPXVFZSA-N 494.364 5.234 30 20 JKED C=CCN(C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1nc2c(s1)CCCC2 517305865 HYLAPEUYAOXCKR-UHFFFAOYSA-N 496.430 5.870 30 20 JKED COc1ccc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)c(Br)c1OC 518656455 WPIJAWIYZFUBLY-CQSZACIVSA-N 495.464 5.732 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1C 518912547 XRFOYUQJEGJZIL-UHFFFAOYSA-N 475.552 5.784 30 20 JKED C=CCN(C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1)c1nc2c(s1)CCCC2 520015345 OAVQBUPDTUWREZ-UHFFFAOYSA-N 488.407 5.493 30 20 JKED COc1ccc(Br)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 520835227 CUZIAUVVJQPBIL-UHFFFAOYSA-N 459.287 5.735 30 20 JKED N#CCCSc1ccccc1NC(=O)c1ccc(Br)cc1I 521716968 OWSMTZFVMXYQEZ-UHFFFAOYSA-N 487.160 5.312 30 20 JKED Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccccc3SC[C@H](C)C#N)nc(O)c2c1C 521727420 XAJXQSMIXYYEGW-IUODEOHRSA-N 472.661 5.526 30 20 JKED O=C(Nc1cc(F)ccc1Cl)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 524391392 KFCGNYIMYXFZNO-UHFFFAOYSA-N 451.729 5.955 30 20 JKED N#C[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1cccc(Cl)c1Cl 557642782 BAXKCHFSMNGGRO-MRXNPFEDSA-N 456.251 5.134 30 20 JKED Cc1occc1-c1nnc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)n1Cc1ccccc1 589940253 FZJNJKXTZCGXMT-UHFFFAOYSA-N 477.977 5.541 30 20 JKED C=CCN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)[C@@H](C)c1cccc(-n2cnnn2)c1 596104218 WNRZBYRQUPXWMH-NRFANRHFSA-N 462.557 5.055 30 20 JKED CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c(C#N)c1C 603444292 BRBVOQYLDLZGNX-UHFFFAOYSA-N 468.535 5.205 30 20 JKED Cc1ccc(Sc2ncccc2C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(C)c1 603449222 CBXNRPPGVXSRQV-UHFFFAOYSA-N 489.651 6.117 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 603600866 IBOGQEOXTVGPQD-HXUWFJFHSA-N 474.948 5.198 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)s2)cc1 603648231 CSOCFHJRHOUBKE-UHFFFAOYSA-N 494.045 6.280 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 603831102 BECOYHWKKDRRLQ-SANMLTNESA-N 471.557 6.443 30 20 JKED Cc1nc2cc(F)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c2nc1C 603962161 HJIZXEMFZUACQY-UHFFFAOYSA-N 485.466 5.576 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1C(F)(F)F 603996122 AFXJLMDFBWZMFO-UHFFFAOYSA-N 458.509 6.044 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCc3csc4ccccc34)cc2Cl)cc1 604145922 OKJKPJLRYFNTOC-UHFFFAOYSA-N 475.957 5.516 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)cc1C 604450733 PLWPNNCLBFBJAU-UHFFFAOYSA-N 464.573 5.602 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCN(c4ccc(Cl)cc4)C3)c2)cc1 604468245 UPZHFORLFLHICV-QFIPXVFZSA-N 474.992 5.633 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 608995373 MDAZUMRHIQIMPC-XMMPIXPASA-N 465.912 6.057 30 20 JKED CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 609062153 ATWSKSMNTOSJRB-UHFFFAOYSA-N 468.962 5.225 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 609068455 TYFIWMWMYFIXMM-UHFFFAOYSA-N 498.536 5.409 30 20 JKED CCOc1c(Br)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1OC 609105510 ACISXOGFIJIJSQ-UHFFFAOYSA-N 499.336 5.698 30 20 JKED N#CCn1c(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc2ccccc21 609216639 ONZSINUUQQSURM-UHFFFAOYSA-N 452.392 5.281 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)N1CCCCC1 609398776 PWVIEJYGBAAFDP-KNQAVFIVSA-N 452.624 5.296 30 20 JKED COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609404006 AUZMXQQSSSYFSR-SFHVURJKSA-N 477.508 5.022 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 609428371 DSDUTLWAKMQUGZ-GOSISDBHSA-N 469.566 5.172 30 20 JKED C=CCOc1c(Br)cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC 616029258 RXZHZFXTRYEUNQ-JOCHJYFZSA-N 460.368 5.035 30 20 JKED C=CCn1c(SCCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccccc1F 644448869 VYYHTXVTOTUIPF-QHCPKHFHSA-N 478.618 5.720 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)Cc3ccccc3-c3ccccc3)nc12 725781960 FPKLQWTVDPQHBU-UHFFFAOYSA-N 467.598 5.123 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 726403312 ZUASKBKYNBNYEC-JLTOFOAXSA-N 477.989 5.173 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2[C@@H](C)Cc2ccco2)c1 726405191 KZQVYTJVQNAAPD-BVZFJXPGSA-N 499.592 5.055 30 20 JKED COc1ccccc1OCC(=O)Nc1cccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)c1 726474244 VCPXSKZQCGYPBQ-UHFFFAOYSA-N 466.950 5.047 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(COc2ccccc2Br)cc1 726754124 BBDHSASGVBQOIP-UHFFFAOYSA-N 486.369 5.777 30 20 JKED COc1ccc(/C=C2/N=C(SC[C@@H](C#N)CCC#N)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 726796796 GDJNCSDRGDHOGB-KKJJZKEWSA-N 480.977 5.278 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 728187219 UWABGBSGFFYFCX-UHFFFAOYSA-N 475.520 5.805 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(CCCCC#N)C2=O)cc1Cl 728777349 KIHVYMLRHNLLOS-QFIPXVFZSA-N 499.036 5.620 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3scnc3C)C2=O)cc1 729143891 SJJDSKVALKSOJD-FQEVSTJZSA-N 464.616 5.229 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2scnc2C)C1=O 729146210 PWAQYWBEPXDROB-NRFANRHFSA-N 494.642 5.401 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(N4CCc5sccc5C4)cc3)CC2)c1 729566260 VSGDFNODICQFRP-UHFFFAOYSA-N 458.587 5.258 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)c1 729631314 GQPCPRXVICKTTI-SYGSHIDXSA-N 494.642 5.050 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(-c3ccccc3Cl)s2)c([N+](=O)[O-])cc1OCC(=O)O 730433184 DJSYEBXHMVJFPF-VOTSOKGWSA-N 473.890 5.345 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1 730460956 JECOUJCIIXXYPU-IBGZPJMESA-N 477.508 5.227 30 20 JKED N#Cc1ccsc1NC(=O)COC(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 730646418 UMNTXAUCXVRAQX-IBGZPJMESA-N 461.326 5.229 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cccc(NC(=O)C2CCCCC2)c1 731070675 WVJCFZLMBYRMKZ-GOSISDBHSA-N 479.602 5.395 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(F)c2)cc1 731305920 QDHRFEYOBKZYQH-QFIPXVFZSA-N 481.524 5.139 30 20 JKED CC(C)c1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2ccccn2)cc1 731309320 VTGKREPQLGOUNO-HOYKHHGWSA-N 488.613 5.632 30 20 JKED COc1ccc(N2C(=O)/C(=C/Nc3ccccc3S[C@H](C)CC#N)c3ccccc3C2=O)cc1OC 731338989 MTYUDWPUAPHCGK-YMNYDYPGSA-N 499.592 5.738 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Br)c2)N(Cc2ccco2)C1=O)Nc1ccccc1 732779318 IQYXQENGDNIDLZ-LJQANCHMSA-N 484.375 5.203 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CCCOC1CCCC1 747043465 KEMTUEFRMBVNSP-QHCPKHFHSA-N 494.592 5.007 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1OCCCC#N 747473099 QBRKCSRTDMNHKH-KQWNVCNZSA-N 460.580 5.937 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc2c(c1)OC(F)(F)O2 749103459 ZTDGNONSOLZZKE-UHFFFAOYSA-N 459.287 5.295 30 20 JKED CCOc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc(Br)c1OC(F)F 750911857 AUYXRUKUJAJUNS-SREVYHEPSA-N 482.277 5.302 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2cccc(F)c2)s1 750932547 ORCYEMLAKKCQKW-UHFFFAOYSA-N 454.552 5.294 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(CC(F)(F)F)C1=O 799223725 UPAMUKBTECILHA-LJQANCHMSA-N 497.514 5.446 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 818048189 INROXBQIVNNMAZ-UHFFFAOYSA-N 459.552 5.281 30 20 JKED Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 821900132 DZDQTBJFOBUQHO-UHFFFAOYSA-N 454.983 5.269 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2ccc(Cl)s2)n(Cc2ccc(F)cc2)c1C 829099923 CVBNQCAOJFLRKA-NTMALXAHSA-N 471.941 5.074 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccs2)c1 838276340 AYSIUVBTZGBRRH-QFIPXVFZSA-N 479.627 5.480 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(Cc2ccco2)C1=O 838523684 ZLISTVMLBSISJX-QHCPKHFHSA-N 493.585 5.238 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(C#N)c2)NC(=O)N1CCc1cccs1 840169496 FCDCTMPWEYLEBL-RUZDIDTESA-N 470.598 5.458 30 20 JKED COc1cc(C#N)ccc1OC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 858436805 PWNYLMQNVGZZAM-UHFFFAOYSA-N 484.480 5.118 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 914538367 NVQMQQPSUVBFEO-LIRRHRJNSA-N 493.601 5.216 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@@H](c2ccccc2)C2CC2)C1=O)NC1CC1 914546814 IEMZRRYIOAHZKO-UNMCSNQZSA-N 453.995 5.092 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1 914547385 NSOAUBCMUJMJBP-JTSKRJEESA-N 479.005 5.134 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)Cc3ccco3)C2=O)cc1 914694593 PBPHIXGLUHNZJC-UZUQRXQVSA-N 475.570 5.074 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)c2cccnc2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102217 OVZLBBWMLYQMHW-GOSISDBHSA-N 485.396 5.241 30 20 JKED Cc1sc2ncn(CC(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)c(=O)c2c1C 915102735 FWUABVXNIFCJSD-CQSZACIVSA-N 489.409 5.382 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102958 LWVOKGWXEMZSNO-CLNSLLFVSA-N 471.626 5.751 30 20 JKED Cc1c(-c2ccccc2)oc2c(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cccc2c1=O 915107161 NEOWPWXGSHSZFH-LJQANCHMSA-N 469.447 6.003 30 20 JKED O=C1/C(=C/c2ccc3ncccc3c2)CN(c2cnccn2)C/C1=C\c1ccc2ncccc2c1 915993428 QCXQNQUYKNZZDZ-FEZYOMQXSA-N 455.521 5.129 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(F)cc2)C1=O)Nc1ccc(F)cc1F 916211691 OKHSNQQHRLITMM-NRFANRHFSA-N 469.488 5.264 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(F)cc1 916212265 VJXUMJVXYKLPRV-GOSISDBHSA-N 467.488 5.605 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2ccc(C(C)C)cc2)cs1 916299800 WNVWFHNJCBRYGE-UHFFFAOYSA-N 472.039 5.925 30 20 JKED CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 916683961 OKBLUDLKUGLMTG-RUZDIDTESA-N 474.992 5.496 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 916886468 GXCAHIMAVCTYAG-FQEVSTJZSA-N 485.512 5.075 30 20 JKED Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1Cc1ccccn1 916909221 PEFNMWHRGOWKBJ-XMMPIXPASA-N 464.525 5.302 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 916915865 QMZQUJHBSZUBTC-SFHVURJKSA-N 473.941 5.768 30 20 JKED N#C[C@@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996118 KHHNDPZBDJKNHA-KRWDZBQOSA-N 488.396 6.798 30 20 JKED C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042830 HGBWJVQIZATMCU-CABZTGNLSA-N 486.302 5.617 30 20 JKED N#C[C@@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1nc2cc(Cl)ccc2s1 917045303 XTJNWKWHPHSDSP-HNNXBMFYSA-N 452.948 5.077 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc2nc(C(F)(F)F)ccc12 917424954 SZNSKCISLAGGBL-CYBMUJFWSA-N 485.459 5.899 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3F)s2)cs1 917560246 KDIMYKMTZOERRJ-DHZHZOJOSA-N 466.534 6.731 30 20 JKED C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3csc(N(C(C)=O)c4ccc(F)cc4)n3)c12 917560309 VSPSILYFYNDTDH-KAMYIIQDSA-N 499.571 5.960 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1cccc(C)n1 917688015 ZFQAPKFYLRGSCU-HSZRJFAPSA-N 494.567 5.391 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)cs1 920068149 KKLYHUYLOWQEHX-LCYFTJDESA-N 456.907 5.293 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 920141794 RGDOOYMVSWZIOO-HSZRJFAPSA-N 463.518 5.168 30 20 JKED COc1cc(C=NNc2cccc(F)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 920384624 ZTRWFRYHVVRMFH-UHFFFAOYSA-N 461.415 5.317 30 20 JKED N#CCCn1cc(C(=O)OCc2coc(-c3ccc(Cl)cc3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 920904496 BFPVHDBGEUWKGL-UHFFFAOYSA-N 477.864 5.037 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 928987271 CDRSFVXWIBNOCQ-IBGZPJMESA-N 487.581 5.534 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(Cl)cccc2Cl)C1 1780297622 XXHQVQKIZCEWDP-NTKDMRAZSA-N 467.437 5.113 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC(C)C)c(Cl)c2)C1 1780859417 ZCJZMWRXOBGVJM-GNMGOMLTSA-N 489.056 5.023 30 20 JKED Cc1nc(-c2ccccn2)sc1C(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1 1786391762 SODZXZRQITZPKD-HXUWFJFHSA-N 480.659 5.216 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)Cc3cc(F)ccc3Br)cc2)CCC1 1786629335 ARAHIOINEDZIJS-UHFFFAOYSA-N 471.370 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)CCCc4ccncc4)cc3)CCC2)c1 1786908389 WTYWELQHLJERTL-OAQYLSRUSA-N 466.585 5.479 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c(C5CC5)c4F)cc3)CCC2)c1 1787168566 OCCPUCXKGGQLNZ-MRXNPFEDSA-N 471.536 5.115 30 20 JKED Cc1nc(C)c(C(=O)Nc2ccc(C3(NC(=O)C#Cc4ccc(Cl)cc4)CCC3)cc2)s1 1787333005 HRKXOUVHVWDNNE-UHFFFAOYSA-N 463.990 5.213 30 20 JKED Cc1occc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(C#N)c3)CCC2)cc1 1787364549 LOFJZPUPJGWYNG-UHFFFAOYSA-N 478.346 5.284 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cncc(F)c4)cc3)CCC2)cc(C(F)(F)F)c1 1787474116 RIDLWBCWEUXEAM-UHFFFAOYSA-N 482.437 5.173 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc(C)n1 1788839366 VWYYJCHSMZDLHK-IBGZPJMESA-N 466.585 5.641 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)cc2)CCC1 1789191519 LHLYMVDZAZSWBN-PJHHIZIYSA-N 464.654 5.199 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cc4sccc4s3)cc2)CCC1 1789256442 OJKIRSCQKUPKKH-PCLIKHOPSA-N 466.632 5.182 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cc(F)cnc4Cl)cc3)CCC2)cc1 1789714897 DNLOGKPCBXOAFP-UHFFFAOYSA-N 476.939 5.126 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(Cl)ncn4)cc3)CCC2)cc(C(F)(F)F)c1 1789915325 HPHGJMCSIHQUFZ-UHFFFAOYSA-N 499.880 5.082 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790979013 QHABHRROCCQTPJ-MUFRIFMGSA-N 486.959 5.348 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4cccs4)on3)CCC2)cc1)C(F)(F)F 1791302451 KRTFDAHKOTUTGY-UHFFFAOYSA-N 461.465 5.269 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)CCCC4=O)CCC2)cc1)C(F)(F)F 1791302762 IWBDWWGNYZJDPA-UHFFFAOYSA-N 456.464 5.072 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)Cc3c[nH]c4ccc(OCc5ccccc5)cc34)cc2)CCC1 1791498580 XJMXROHNVOCEBE-UHFFFAOYSA-N 492.579 5.337 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)NC3(c4ccc(NC(=O)[C@H](C)S)cc4)CCC3)cc2n1 1791575626 NOTGFNBNBVTDRE-HNNXBMFYSA-N 453.995 5.263 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Br)ccc4c3)CCC2)cc1 1791589239 NQHBIOIIBRAKQG-UHFFFAOYSA-N 464.363 5.321 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCCN(C(=O)OCc4ccccc4)[C@@H]3C)CCC2)cc1 1791593467 UDDFJIDAFGDHSK-PXDATVDWSA-N 489.616 5.134 30 20 JKED Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)n1 1792169357 GMUCDNYTMGAKIV-UHFFFAOYSA-N 496.611 5.429 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4cc(Cl)ccc34)CCC2)cc1 1792240437 CYWZRWXXWMOIBX-UHFFFAOYSA-N 498.970 5.520 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2sc(C)nc2c1)c1ccccc1 1797561817 ULPBPBGTPNIJSV-UEQSERJNSA-N 471.626 5.054 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(F)CCCCC1(F)F)c1cc(F)cc(C(F)(F)F)c1 1797805044 QEQXAZSIJOVZMI-CLWJZODNSA-N 480.424 5.014 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)C2 1798420444 NFKFEWCFPQXCDW-QCPNHMKVSA-N 456.747 5.282 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12 1800812437 DWZDBMLJCWBALF-JTNFPWQOSA-N 498.623 5.457 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C 1800834085 WUENMRNDWRTXJM-CIAFKFPVSA-N 481.637 5.362 30 20 JKED CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(CC#N)cc1)C2)c1ccc(Cl)cc1 1801552105 MNSSGGHFYXYNPZ-ZFFYZDHPSA-N 464.009 5.098 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1c1cccnc1 1802503266 NCXYGCIPGMOZLI-BWKNWUBXSA-N 458.606 5.183 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)[C@H]1c1cccnc1 1803085022 XGBIVGRDJVIILN-CPJSRVTESA-N 477.008 5.304 30 20 JKED C=CCSCC(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803229357 VLJFDVIYTIPNNB-ZODMCCGTSA-N 486.081 5.100 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)[C@@H](S)C(C)C)[C@@H]2c2cccnc2)c2ccccc12 1803605395 CCBMYBCKCFVHFK-UIUQJESISA-N 489.685 5.136 30 20 JKED O=C(C#CC1CC1)N1CCCC2(CCN(C(=O)c3ccc4c(Cl)c5c(nc4c3)CCCC5)CC2)C1 1805887985 FOVYGMQMOMWYJS-UHFFFAOYSA-N 490.047 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)[C@@H]1c1cccnc1 1810501434 JCXFLSLXGDKZTF-ZBQOPKCVSA-N 471.645 5.202 30 20 JKED CCCCCc1ccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2c2cccnc2)cc1 1811532690 APJJOOMKYGFQDC-CMLVZENQSA-N 495.627 5.047 30 20 JKED CC(C)Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)cc1 1811634065 WIXBZHDZXBINSR-PWUSVURUSA-N 494.639 5.541 30 20 JKED Cc1c(Cl)cccc1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1811732891 GSXKEQBSTJRWFP-NTKDMRAZSA-N 493.394 5.202 30 20 JKED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)[C@@H]2c2cccnc2)c(Cl)c1 1811735195 YEAVWKQZLRXLPF-GAJHUEQPSA-N 497.357 5.033 30 20 JKED Cc1cc2cc(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)ccc2[nH]1 1811749436 WUDOFORLYHLXPB-LVXARBLLSA-N 497.986 5.030 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(F)c2)[C@H]1c1cccnc1)c1ccccc1 1811810450 PUBFXHQLXFZFOV-UNCTUWKVSA-N 483.587 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C(C)=C/c2ccc(OC)cc2)[C@H]1c1cccnc1 1812420971 AVZJRRSIVUMLDJ-LPUCNNDASA-N 475.633 5.192 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[C@H]1c1cccnc1)C(F)(F)F 1812515028 SQTQJCSDDNAESM-CEMLEFRQSA-N 493.957 5.299 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)[C@H]1c1cccnc1 1812590344 HQZSYOKBJOUQOM-VPKVUBIPSA-N 460.405 5.229 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)c1ccc(-c2ccccc2)cc1 1813953078 WSLIDZFZCWURER-IGYGKHONSA-N 485.587 5.120 30 20 JKED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cccc(C(F)(F)F)c3)[nH]n2)C1 1814392698 RATQIYLHQZXDFE-NDDJGDGRSA-N 458.484 5.100 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cncc(-c3ccccc3C=O)c2)[nH]n1 1814444138 VEPAWSXWWWUSML-RUZDIDTESA-N 499.615 5.583 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)ccc3F)n[nH]2)c1Cl 1814622204 HZDYJOCUGHSWNC-IBGZPJMESA-N 486.334 5.347 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1815216261 RDHWUIRLWZTXGO-CPJSRVTESA-N 497.599 5.226 30 20 JKED CO[C@@](C)(C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](S)C(C)C)n[nH]1)c1cccc2ccccc12 1815246002 FFRIDZPGKCDUSN-CAKYRVLISA-N 494.661 5.071 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Br)c3ccccc23)n[nH]1 1818985214 SPNMHUGNSLOUKO-OAQYLSRUSA-N 479.378 5.045 30 20 JKED C[C@@H](Sc1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)[nH]n1 1819254909 YRAPFJONYRDUKF-UTKZUKDTSA-N 493.658 5.149 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1819305832 OYHMQAJSFCWIQP-UWJYYQICSA-N 491.558 5.885 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)[nH]n1 1819307733 YHUJVRWVMGGWKK-YADARESESA-N 473.577 5.046 30 20 JKED COc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)CC3CCC(C)(C)CC3)[nH]n2)c(C#N)c1 1820838047 XSYVQLUWNDESCH-DEOSSOPVSA-N 491.636 5.131 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4cc(Cl)ccc34)[nH]n2)c1 1821325324 UYAIKJFUBPVPTM-QHCPKHFHSA-N 486.963 5.344 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc3cccc(Cl)c3c2)n[nH]1 1821566683 MWMDPPFFWDRVRV-FDDCHVKYSA-N 477.996 5.686 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CC=C)C(=C)C)[nH]n1)NC(=O)OC(C)(C)C 1823347781 FPQZAXHSYXGDIC-TUNNFDKTSA-N 499.656 5.030 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)[nH]n2)CCC1 1823379899 RBJKRXOZYJUUPD-QGZVFWFLSA-N 479.890 5.082 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823683335 SFGMBWJPAXRJQF-MHZLTWQESA-N 491.752 5.162 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@@H]2CNc3ccccc3C2)CC1 1823752718 MDPFTGYESCYBEG-HOFKKMOUSA-N 479.709 5.663 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(OC)cc2)CC1 1824455545 VXKJTLCVRBGFCS-GSDHBNRESA-N 466.666 5.411 30 20 JKED Cc1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1824675949 GYRSAQCXCGQMRQ-QFIPXVFZSA-N 458.744 5.341 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)CC1 1827513929 USHWUALZHHVEQQ-VWLOTQADSA-N 482.665 5.006 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCCC2)CC1)c1cccs1 1827680098 HYXWIIQDRJKMJF-SDNYCIMKSA-N 456.652 5.077 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1)c1cccs1 1827681011 BJSLVDPBORXHOB-XFRIRYHMSA-N 494.632 5.050 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc([C@@H](C)C#N)c3)sc2C1 1827691803 VZBYFLPUQLJEBY-ZWOKBUDYSA-N 490.654 5.177 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CC2)C1 1827992778 ZVIHVMYZSDWNSX-RUZDIDTESA-N 494.035 5.727 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ncccc34)CC2)c1Cl 1828028680 OTLGWXJSUJHWGR-VWLOTQADSA-N 487.003 5.307 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1829066830 VWUZXECNIHSRNZ-DEOSSOPVSA-N 453.602 5.533 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(Cl)c(Cl)c3)CC2)cc1 1829234472 OLLCFRTUBNARKC-JOCHJYFZSA-N 485.415 5.002 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1829409217 JQVBTIUAJZIDKG-PZJWPPBQSA-N 497.989 5.756 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 1830015220 VYOWBLZANNRQAM-VWLOTQADSA-N 476.020 5.177 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)cc1 1830017113 QYCSEDYVWHCGHH-QHCPKHFHSA-N 487.497 5.263 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2)CC1)C(F)(F)F 1830119741 DRNKFGIGSZXXTN-LJQANCHMSA-N 487.360 5.109 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c(C)c2)CC1 1830119905 JERJZRFTYDQHTI-QHCPKHFHSA-N 473.455 5.184 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 1830627833 ADIMRTRZGMEWIR-ZONZVBGPSA-N 490.047 5.443 30 20 JKED C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1 1831262668 ZYFFSIGNCIETCU-IDISGSTGSA-N 475.608 5.004 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1831368908 BJLPMELPUMTUHA-RXFWQSSRSA-N 463.622 5.136 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1831374610 RHEDHCCEPKRVMK-ACVONRCISA-N 463.622 5.022 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1)C(F)(F)F 1831453675 HUAZMWMBPIYNPS-IBGZPJMESA-N 494.451 5.125 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1831860033 IPNLSAZJEOMUCC-SANMLTNESA-N 462.659 5.788 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(O)cc1 1831925287 BLRDYJPTZNLLLS-BQEQVSEESA-N 498.667 5.313 30 20 JKED COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1C 1832538770 FWNRTJQTSFMXKS-RXFWQSSRSA-N 473.617 5.178 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCOc3ccc(F)cc3)CC2)c1 1832629452 RAFFYSSOSJELFF-IDISGSTGSA-N 491.607 5.155 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc4ccoc4c3)CC2)c1 1832631139 RSDDOCQZDXMKJE-CLOONOSVSA-N 470.573 5.002 30 20 JKED C=CC[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC2CCCC2)CC1)NC(=O)OC(C)(C)C 1832753747 KHAGOMJWRLSEDA-BJKOFHAPSA-N 489.701 5.046 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)CC1 1838277219 QDWKSGGHHOYRAW-RPBOFIJWSA-N 487.084 5.435 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)c1 1845349284 PFEQVUXYKTVACO-HNNXBMFYSA-N 475.898 5.117 30 20 JKED CC(C)n1c(SCC(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1Cl 9826582 HONBTDAJVSIWGO-UHFFFAOYSA-N 452.411 5.268 30 20 JKED COc1ccc(-c2cc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c3ccccc3n2)cc1 10707748 UZXWYPQUIXRQPI-UHFFFAOYSA-N 476.580 5.130 30 20 JKED C[C@@](C#N)(NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C1CC1 11021438 BZYICMFZNDCGPL-QFIPXVFZSA-N 458.509 5.004 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)Nc2ccc(C(C)C)cc2)cc1 11265242 KECQLYODPKXUDC-UHFFFAOYSA-O 451.681 6.779 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 11268682 SMBRBHOWAXQASJ-UHFFFAOYSA-O 472.033 6.578 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nc2scc(-c3cccs3)c2c1=O 11382081 PVFPUXDXENLJRK-CQSZACIVSA-N 478.624 5.363 30 20 JKED COc1ccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C2CCCCC2)cc1OC 18278003 GXVUVJSICXXMKD-UHFFFAOYSA-N 462.575 5.314 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2OCC)nc2cc(-c3ccccc3)sc2c1=O 21494333 BHHFJXUWKRDPIN-UHFFFAOYSA-N 477.611 5.441 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccc(F)cc1 21970613 QJTFDQXEFJQGFQ-UHFFFAOYSA-N 450.511 5.316 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)n2C2CCCCC2)cc1 22118861 HQXGCCBTBLNZHM-GOSISDBHSA-N 467.639 5.282 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1-c1ccc(Cl)cc1 22137361 FTFGPSMIBRTLAE-GYCJOSAFSA-N 484.025 5.131 30 20 JKED COc1ccc(N/C(S)=C(/C(=O)c2cc(C)sc2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22731310 PUSGPTLWWLCPOW-UHFFFAOYSA-O 487.670 6.303 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 29205277 TVWXWKSWFQTEGH-UHFFFAOYSA-N 460.481 5.318 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccco1 29550390 APWOOFAVWMWJLK-NSHDSACASA-N 456.877 5.516 30 20 JKED Cc1nc(COc2cccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c2)cs1 32289733 LVQDANFPFAWHGB-UHFFFAOYSA-N 455.539 5.734 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cc1 45873250 NGMJGCUDGMYDOX-UHFFFAOYSA-N 496.907 5.609 30 20 JKED CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 46893133 LZAXMHSKUZNKJH-QFIPXVFZSA-N 482.005 5.325 30 20 JKED C=CCc1cc(C(=O)Nc2cc(Br)ccc2Br)cc(OC)c1OC 71881597 FZKYROWOIRJJAO-UHFFFAOYSA-N 455.146 5.210 30 20 JKED Cc1nc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)sc1SCC#N 107900381 BWQNHXIXIDXQKE-UHFFFAOYSA-N 474.036 5.741 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1ccccc1F 195568910 LPABOVLOZFLOLD-XMMPIXPASA-N 488.588 6.141 30 20 JKED CC[C@@H](c1ccccc1)c1nnc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)o1 303223703 VUVACUTWJDZZOE-OALUTQOASA-N 460.584 5.704 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 409816329 YIQLKYWAYSOAAU-UHFFFAOYSA-N 492.601 5.010 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 485705690 DRBCECWWFXXITL-INIZCTEOSA-N 482.462 5.231 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2cc(Br)cs2)cc1C 498431325 UZUCZPAXZGXTDC-UHFFFAOYSA-N 457.397 5.177 30 20 JKED CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 499189107 JLJPIERECZPZDZ-UHFFFAOYSA-N 464.569 5.243 30 20 JKED N#Cc1cn(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccc(Br)cc2c1=O 502819859 OAWHYHIUUOAMLG-UHFFFAOYSA-N 474.314 5.067 30 20 JKED O=C(Nc1ccc(F)c(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502878343 ZBHXWCQVPIPIOV-UHFFFAOYSA-N 470.707 5.489 30 20 JKED CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c([N+](=O)[O-])cc1OC 502958487 TVUCVXVSQPWCDE-ZDUSSCGKSA-N 457.552 5.339 30 20 JKED N#Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2NC(=O)c2ccc(C#N)cc2)cc1 503430583 OYKCLQXCSNXQCH-UHFFFAOYSA-N 458.477 5.727 30 20 JKED C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1nc(-c2ccccc2)cs1 504037790 QOSHJBSDTQSPRF-LJQANCHMSA-N 468.582 6.338 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 507878021 WYIRVWVKMYNOLP-FQEVSTJZSA-N 459.933 5.495 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)ccc1I 508943623 ZCKSFWABUHRKIB-UHFFFAOYSA-N 473.245 5.050 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC(F)F 510732541 IPUVPKZFCPJKIB-UHFFFAOYSA-N 453.445 5.591 30 20 JKED C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511338385 GDURPWMYYDSCIH-FQEVSTJZSA-N 466.545 5.137 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)c2c(F)cccc2F)c1 511410471 ACMNFHCQQKPSEG-UHFFFAOYSA-N 476.932 5.276 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(C)o2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512172163 VUOXDRGHILBTFS-UHFFFAOYSA-N 452.517 5.576 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 512544105 DUJOWCVISXFNKZ-FQEVSTJZSA-N 489.959 5.503 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)CC2)cc1 515118382 LZKRPYYQOHCBTA-UHFFFAOYSA-N 458.537 5.016 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 515413740 RTQSOSIKTSZNRP-UHFFFAOYSA-N 470.451 5.866 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCCNc2ncc(Cl)cc2Cl)cc1 517077604 ZRFDFZYRKYRBFJ-UHFFFAOYSA-N 457.386 5.394 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 518748509 WKMZSVOZOZGRJC-KRWDZBQOSA-N 463.534 5.267 30 20 JKED COc1cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccc1OCC(F)(F)F 520197712 MMBMQTIQVWYUHJ-UHFFFAOYSA-N 471.435 5.622 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(c3nccs3)CC2)cc1Cl 521279672 OGABFRSFLYSOOX-FQEVSTJZSA-N 451.983 5.196 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2ccccc2-c2ccccc2)cc1 521371417 OKGGCTAULYNSFL-UHFFFAOYSA-N 477.564 6.199 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 521726891 MWSZJRJXIAAQNM-XMSQKQJNSA-N 484.581 6.067 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1 522586042 FJOLYBBPZQFXNA-UHFFFAOYSA-N 463.493 5.185 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1 524391064 TVSIHIHNVKFIGQ-UHFFFAOYSA-N 489.380 5.247 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 524413943 AJZOXNRJBLEKST-UHFFFAOYSA-N 489.600 6.862 30 20 JKED C=CCN(C(=O)c1ccc(N2CCCC2)nn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 524503089 UJPQOHFOGDBHDL-UHFFFAOYSA-N 467.598 5.700 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3oc4ccccc4c3CSc3ncccn3)n2)cc1 587988741 MTUGBZDTPIHDTG-LJQANCHMSA-N 498.589 6.137 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)c2C#N)C1 590613416 PAOVSXFMVDWOJT-AWEZNQCLSA-N 475.536 5.254 30 20 JKED C=CCN(C(=O)c1ccc(C(=O)N(C)C)nc1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 591001735 RHPDMERRQWSXFK-UHFFFAOYSA-N 482.609 5.715 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCSCc2ccccc2F)cc1Cl 604135561 RGEZIGJMVGXZNT-NRFANRHFSA-N 481.980 5.123 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2Cl)cc1 604141111 WWIWWOFPXDYYDW-HXUWFJFHSA-N 481.936 5.435 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C(c1ccccc1)c1ccccc1 604141924 ZPYJUMNYMXAXNU-HXUWFJFHSA-N 476.536 5.021 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 604505885 WYHFCGIYHAZBME-DEOSSOPVSA-N 496.380 5.407 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(C(F)(F)F)c1 608845401 VYQLUIHWMUUCFT-QFIPXVFZSA-N 482.462 5.216 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)cc2Cl)c1 609062648 DVXSCPOPZNNFRB-UHFFFAOYSA-N 489.959 5.473 30 20 JKED Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 609080171 VNUCKXATFUFIOA-UHFFFAOYSA-N 462.500 5.078 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3csc(-c4cc(Br)cs4)n3)CC2)c1 609185856 QUTKJBKUYTZQLM-UHFFFAOYSA-N 474.405 5.189 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 609377419 FJUDDPYIZNFVCB-AFXFGAOOSA-N 483.584 5.629 30 20 JKED CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2)cc1 609382370 CSDRMBGUNFQDIZ-GOSISDBHSA-N 495.626 5.390 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 609405053 WXXVFXZPVLOOOB-VQTJNVASSA-N 457.599 5.214 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 609435415 NROHXXIEARVAML-JXFKEZNVSA-N 490.551 5.585 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN(C)C1CCCCC1 609436634 QIRBICFIJBMJLZ-HXUWFJFHSA-N 450.652 6.167 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 612173866 PAJVBOVINCANRX-UHFFFAOYSA-N 494.897 5.902 30 20 JKED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346336 GYCWUMVEWXVWLT-ZDUSSCGKSA-N 472.275 5.943 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 617896713 ZBIUIFVTGFICJY-IBGZPJMESA-N 496.080 5.046 30 20 JKED Cc1c([C@H](C)NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 618553502 DCACABXFZXRXPM-UBHSHLNASA-N 466.401 5.153 30 20 JKED O=C(Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618607787 BTDCGYNQOGDGPM-CHWSQXEVSA-N 478.364 5.146 30 20 JKED O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 623251442 ACHHJEJIKAGQLH-UHFFFAOYSA-N 475.349 5.306 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(Cl)c2)cn1 726888090 LFKZAXZEPCZOCP-FQEVSTJZSA-N 498.967 5.043 30 20 JKED Cc1nc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1c(Cl)cccc1Cl 728411829 MNOGLMMHBUXULI-ZDUSSCGKSA-N 483.142 5.151 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(SC(F)F)cc1 728420722 IQNWFBXZNSQCBB-SFHVURJKSA-N 472.542 5.019 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 728519223 ZKVPKFBSOQFTRT-VWLOTQADSA-N 475.589 5.602 30 20 JKED Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cs2)c1 728669178 LRDZMZSQEKSNLY-UHFFFAOYSA-N 497.576 5.962 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CCCCC#N)C1=O 728776656 CZHKGLOVHFUPGL-JOCHJYFZSA-N 499.036 5.620 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 729564171 WSKFEPABXGXNIS-FQEVSTJZSA-N 464.566 5.380 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 729891323 ZSCCMXIXXYLLKM-OAQYLSRUSA-N 461.525 5.674 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C)c(C)c1 730504535 NOASAXBKCDSIEO-LJQANCHMSA-N 493.601 5.225 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 730961120 NYBDWLVBNUQJRB-UHFFFAOYSA-N 478.330 5.379 30 20 JKED Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 731062962 LLJNELQIFIVXFH-OAHLLOKOSA-N 451.573 5.308 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 731351975 ILSWYBPMEVOFBT-KRWDZBQOSA-N 462.550 5.523 30 20 JKED CCOc1cc(/C=C\C(=O)c2c(C)nn(C(C)C)c2C)ccc1OCC(=O)Nc1ccccc1 746347181 YDZZZEJZEKAIDO-OWBHPGMISA-N 461.562 5.393 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CCCOC2CCCC2)C1=O 747042712 HSKIGMYVEXJRPI-DEOSSOPVSA-N 495.645 5.313 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCc3nccs3)C2=O)c1 747601338 GIMDUCHEPVZPHF-NRFANRHFSA-N 478.643 5.271 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccccc2Cl)s1 748004240 UUHXCSFZXBUEMM-ZDUSSCGKSA-N 460.342 5.395 30 20 JKED CN1CCN(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2Cl)CC1 749134933 UAVMUPCGOKAEEJ-UHFFFAOYSA-N 463.006 5.367 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)CCc2nc(O)c3c4c(sc3n2)CCC4)cc1 818100632 XPFHWAVDLQWDSC-UHFFFAOYSA-N 455.539 5.100 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H](C)c3ccccn3)C2=O)c([N+](=O)[O-])c1 837537284 HOHMVIKWHWQWSF-JTSKRJEESA-N 489.557 5.020 30 20 JKED CC1(C(=O)N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 858022197 MNAAMBVWJPOQQR-QHCPKHFHSA-N 479.024 5.161 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCCC(C)C)C1=O 914555681 KFJHYBOGVWMTQY-QHCPKHFHSA-N 496.633 5.050 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)Cc2ccco2)C1=O 914694831 WHLXLIFDNMDQAP-KSFYIVLOSA-N 481.549 5.019 30 20 JKED CCCC(=O)Nc1ccc(O)c(C(C)=NNc2nnc(-c3ccccc3)n2-c2ccccc2)c1 915050774 BYFBXEYUNBBYCX-UHFFFAOYSA-N 454.534 5.215 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CC3CCC3)C2=O)c1 915111678 ONDCLPYIGRKUAI-NRFANRHFSA-N 488.009 5.118 30 20 JKED Cc1oc(-c2cccs2)nc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 915559662 QXABUKFACYKWME-CYBMUJFWSA-N 455.561 5.098 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2cccc(OCc3ccccc3)c2)cs1)c1ccc(F)cc1F 915989124 YPHCTCMRPXJJAR-QBFSEMIESA-N 490.531 6.581 30 20 JKED N#CCCn1cc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c(-c2ccccc2)n1 916128174 SUUFJFSWMPLNEH-VKAVYKQESA-N 476.536 5.377 30 20 JKED COc1cc(C=NNc2ccc3ccccc3n2)ccc1OCC(=O)Nc1ccccc1Cl 916285729 CVCPTXDQTCKWIT-UHFFFAOYSA-N 460.921 5.360 30 20 JKED Clc1ccc(CSc2nncn2N=Cc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 916546521 WHOLJVBGFNJEHC-UHFFFAOYSA-N 491.045 6.079 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 916628050 JWJVRKRPEGWGIS-HSZRJFAPSA-N 452.535 5.605 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cn1 916679108 JLYVOSVWAJMTOS-VWLOTQADSA-N 478.552 6.250 30 20 JKED N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916886102 DLHOCNZGRGKWAU-CYBMUJFWSA-N 461.342 5.748 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc1ccc(Br)cc1 916906902 KUZQXOQRVIFMKM-KUHUBIRLSA-N 459.409 5.402 30 20 JKED N#C[C@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 916929824 AZXPRMLUXGENIX-CQSZACIVSA-N 497.165 6.235 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 916954528 ISQYSNBUGKTFAM-OSPHWJPCSA-N 467.573 5.293 30 20 JKED N#C[C@@H](C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 917039851 FVPVLFVVHJOZFM-WMZHIEFXSA-N 481.955 6.784 30 20 JKED N#C[C@H](C(=O)CCSc1nc2ccccc2s1)c1nc2cc(C(F)(F)F)ccc2s1 917042106 BQWYGDUFQMJIMN-GFCCVEGCSA-N 463.531 6.283 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nc2cc(Cl)ccc2s1 917043628 LDUSZQQEXZPOMY-OAHLLOKOSA-N 488.819 6.255 30 20 JKED CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C#N 917701767 BLOZUDCYRZVCMG-QGZVFWFLSA-N 461.374 5.235 30 20 JKED COc1ccc(OC)c2c1CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)C[C@@H]2O 918052401 IDGIOKKNPBSIPB-FQEVSTJZSA-N 479.920 5.102 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1=S 918735031 LDQRBYRLVMFWCQ-STQMWFEESA-N 468.442 5.426 30 20 JKED COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(NC(=O)NC(C)C)cc3)cs2)cc1 920065720 HQUUPDITRXAQLK-JYRVWZFOSA-N 451.548 5.157 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@@H]1CCc2cc(F)ccc21 920170357 YQNATXNVENGGLL-RPWUZVMVSA-N 484.556 5.345 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3c(C)noc3C)C2=O)cc1 920354166 ZRTBCBRXYRLPJS-QHCPKHFHSA-N 476.602 5.377 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2c(C)noc2C)cc1 920354780 FXSAYWODSCUTPJ-JOCHJYFZSA-N 462.575 5.014 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(Cc2cccc(NC(=O)CC(C)C)c2)C1=O 920751795 PSIWNWOHJCGPBM-QHCPKHFHSA-N 494.661 5.062 30 20 JKED Cc1ccc(NC(=O)CS[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 920804606 WYXADJDKUIULMX-GOEBONIOSA-N 471.554 5.333 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1C 920892060 IJZYUGITHXQSHR-UHFFFAOYSA-N 478.552 5.543 30 20 JKED O=C1/C(=C/c2ccc(O)c(Cl)c2)CC2(C/C1=C\c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc12 921270011 QUSYPXCSPDSEKX-BEQMOXJMSA-N 492.358 6.125 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1 929077309 TWIHVNRNPFTOAL-UHFFFAOYSA-N 450.567 5.235 30 20 JKED Cc1sc(NC(=O)CSc2nc3c(c(C)c2C#N)CCC3)nc1-c1ccc(Cl)cc1 1307272870 YZKATHCZDRWAPG-UHFFFAOYSA-N 455.008 5.567 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3C(F)(F)F)CCC2)cc1 1786102860 AEIYMCOFFWINRP-UHFFFAOYSA-N 457.496 5.617 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccncc3-c3ccccc3)CCC2)cc1 1786393558 FGOSLPFVUUFSTR-XMMPIXPASA-N 459.615 5.451 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)CCCC(F)(F)F)cc3)CCC2)ccc1F 1786621338 GWMVCLXDEMVUAZ-UHFFFAOYSA-N 461.459 5.107 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)/C=C\c3c[nH]c4ccccc34)cc2)CCC1 1786777923 IKJCSNBDAPZEBS-GDNBJRDFSA-N 457.574 5.298 30 20 JKED C=CCCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5ccoc5cn4)CCC3)cc2)c(O)n1 1787173286 XOQITNLIDYZGPV-UHFFFAOYSA-N 482.540 5.109 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC(F)(F)F)cc2)CCC1 1787872656 YCKWKCHHZRQYKH-IBGZPJMESA-N 497.558 5.323 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4cnccc4n3)cc2)CCC1 1788962323 WHWXXTULZJQUMZ-UHFFFAOYSA-N 484.676 5.429 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)C[C@H]4CCCN(C(=O)OC(C)(C)C)CC4)cc3)CCC2)C1 1789199155 PSYJAPRPMZNANV-NRFANRHFSA-N 495.664 5.514 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(-c6nccs6)noc5c4)cc3)CCC2)CC1 1789225312 JAIXJUOBKHDOGZ-UHFFFAOYSA-N 483.553 5.003 30 20 JKED CC(C)n1nccc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1789801878 AJXXBNRDEFJNGS-LJQANCHMSA-N 455.562 5.153 30 20 JKED C#CCCC(=O)NC1(c2ccc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)cc2)CCC1 1789996132 ZUFRBBDLGGRMQP-UHFFFAOYSA-N 451.526 5.589 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1790567763 PHFPFTKOMCNOFT-MRXNPFEDSA-N 466.969 5.370 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-n4cccn4)cc3Cl)cc2)CCC1 1790602476 AUSXVGYAEJPYAV-SFHVURJKSA-N 493.995 5.074 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CCC2)cc1 1791586050 UAQFAUBSNDQJCW-QHCPKHFHSA-N 483.653 5.206 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)[C@H](O)c4ccccc4Cl)cc3)CCC2)cc1 1791745221 BCMLLLKNYFXLEZ-AREMUKBSSA-N 487.987 5.012 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4ccco4)CCC3)cc2)cc1C#N 1792169334 DQFYHLFIDCNICT-ACCUITESSA-N 469.541 5.400 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)cc2)CCC1 1792337572 LZEJTARJVFEJBZ-GOUWZUTHSA-N 493.648 5.287 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCc1ccnc(-c3cc(C)ccn3)c1)C2 1793053804 SLFYAXYWTAZAOT-OOSCYNTBSA-N 486.660 5.181 30 20 JKED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc3c(Cl)cccc3s2)cc1 1797649718 DGZSYJJJBNJVMH-REPLKXPHSA-N 463.990 5.186 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1[nH]c3ccoc3c1-c1ccccc1)C2 1798334428 WWZUJRXNMBMYSA-LRSLUSHPSA-N 457.574 5.448 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(C#N)cc3)ccc21 1799666950 LTEVMBGXUOZQDX-BKFWDETESA-N 476.580 5.252 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc4ccccc4c2)C3)cc(C(F)(F)F)c1 1800740264 NDDPMIJTWUFOOE-QEIWAGNOSA-N 491.513 5.225 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1 1802392515 MJIBGZXWRNNPLA-LITSAYRRSA-N 488.676 5.588 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)Sc2cccs2)[C@H]1c1cccnc1 1802499486 SEZMTNVLFXYODH-VCOUNFBDSA-N 471.692 5.322 30 20 JKED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1802691296 LZCYSAWBLLEJGH-CPJSRVTESA-N 497.624 5.161 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CCCC(F)(F)F)[C@H]1c1cccnc1)c1ccccc1 1804050168 UGMCEXUDUNLFKC-SONWIMMPSA-N 485.550 5.017 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C(C)(C)Oc3ccc4ccccc4c3)[C@@H]2c2cccnc2)C1 1807480948 HBGDYPSYPRKGOO-IGKIAQTJSA-N 483.612 5.064 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc3c(Cl)cc(C)nc3c2)[C@@H]1c1cccnc1 1809671088 CDLNGYXZVFIWNN-QBFCQJJASA-N 477.008 5.123 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1810175666 XAHXVDWOLFBSGK-HUVFLSCGSA-N 496.533 5.060 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]1c1cccnc1 1810272917 UEAQODYMFGLNKS-IAPPQJPRSA-N 487.720 5.330 30 20 JKED Cc1ccc(-c2ncccc2C(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4)CC3)C2)cc1 1810351424 UFGXONWXSNCTDS-UHFFFAOYSA-N 478.596 5.087 30 20 JKED CC#CC[C@H](C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@H]1c1cccnc1)c1ccccc1 1810446988 IQQBNIFAXNFBRJ-QBHLCAJUSA-N 491.635 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1810500576 SVLRRVWLXUNTPZ-JYFHCDHNSA-N 455.602 5.547 30 20 JKED Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1Cl 1811735394 ZUYGWBKFXGOMEJ-GBXCKJPGSA-N 493.394 5.202 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1 1811796825 RCVGVQKCKBRLMJ-AZGAKELHSA-N 460.622 5.269 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)/C=C/c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 1811936168 MNVUMQURIMOUED-VBWPISRSSA-N 490.563 5.041 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3c(Cl)ccnc3c2)[C@H]1c1cccnc1 1812074257 IKUXEWKUAFQEPJ-VVZHRXSXSA-N 489.019 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1812199918 PGULJOVNFXPHHH-YOSAUDMPSA-N 475.614 5.090 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)Cc2ccc(F)cc2)[C@@H]1c1cccnc1 1812469510 ZSQDRKGQJADNIR-ZWSUVBHBSA-N 465.613 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)/C=C/c2c[nH]c3cc(C)ccc23)[C@@H]1c1cccnc1 1814261299 QANHWUKDBDEKSA-YJGPCDRQSA-N 484.644 5.583 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)[nH]n1 1814439929 GFVCLYLLMMJYDF-GIWBLDEGSA-N 464.610 5.207 30 20 JKED COc1ccc([C@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)cc1 1814734113 NGVZDLAPZLCJSF-AOMKIAJQSA-N 491.979 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1 1817588365 RJQMZCFHGDNASS-DEOSSOPVSA-N 459.594 5.284 30 20 JKED Cc1cccc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)[nH]c12 1819024482 KQZMXKFOLITWER-NRFANRHFSA-N 486.963 5.344 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccn3c2)[nH]n1)c1ccccc1 1819518704 YONNGMKUWCVYLM-FYYLOGMGSA-N 485.613 5.227 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCCOc2ccc(C(C)=O)cc2)[nH]n1 1819552447 LUXOGBFDCRVRDG-DEOSSOPVSA-N 494.636 5.456 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1 1820217958 LNBHGLZTOQOUDG-IERDGZPVSA-N 494.020 5.421 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)cc(Br)c2C)n[nH]1 1820225332 GDOZMNHGCJFDMR-FQEVSTJZSA-N 489.389 5.119 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1)C(F)(F)F 1820316636 OHXLGTOYJAUKNA-IBGZPJMESA-N 487.457 5.035 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c1 1820905312 OTLWDMNQIIEXCH-ZOBSEURRSA-N 459.594 5.043 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occ(Cl)c4c3)[nH]n2)cc1 1821180007 SKKSWPNPYKPWGR-JOCHJYFZSA-N 487.947 5.495 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[nH]n2)cc1 1821180491 WCAUYTCVCLZIQH-QSHYMPABSA-N 473.621 5.388 30 20 JKED C=CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)sc2C1 1821217069 BLVHJSBDJHZJNW-OAHLLOKOSA-N 462.600 5.155 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)n[nH]1 1821788754 VOPSGCDKMDBHHV-AVRDEDQJSA-N 488.554 5.504 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1821986651 ZVYUEOSLIYHIAU-GOSISDBHSA-N 489.910 5.235 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3c2)[nH]n1 1822391168 AXOMSDXGNCPOOW-QFIPXVFZSA-N 493.405 5.435 30 20 JKED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)[nH]n1 1822392583 VTJBKLGNCWNASN-NRFANRHFSA-N 471.586 5.282 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CSc3ccccc3)[nH]n2)c1 1823210348 AEELSKLDRRWMMC-MBSDFSHPSA-N 473.602 5.135 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3[nH]c4ccc(Br)cc4c3C)CC2)C1 1823703116 OHOBBBGVNRWCNV-HSZRJFAPSA-N 498.465 5.438 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1823971712 LGNYLAWOOCPMAF-HYBUGGRVSA-N 461.046 5.046 30 20 JKED COc1cc(C)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c(C)c1 1824053745 DMNXLCGHGNKRDA-HHHXNRCGSA-N 487.644 5.050 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](C)Sc3ccccc3)CC2)c1 1824392774 UBWNIFZXROZOHW-LVXARBLLSA-N 475.658 5.281 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1824508010 GYFMBCQHWSNLIG-JIPXPUAJSA-N 478.608 5.317 30 20 JKED Cc1ccc2c(/C=C/C(=O)N3CCC([C@@H]4CCCCN4C(=O)[C@H](S)C(C)C)CC3)c[nH]c2c1 1824543369 ACDZOUIICVGYFE-ZMSIXCCISA-N 467.679 5.064 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2cnccc2C(F)(F)F)CC1 1825097753 AWYRHYVUDWGSPN-HSZRJFAPSA-N 493.614 5.645 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cncc(C)c2)CC1)c1ccccc1 1825196455 WWYHKFHBDAJSDU-VMPREFPWSA-N 485.672 5.140 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)C[C@H](C)c4ccccc4)sc3C2)c1 1825369370 OGXZMEIQEHSXLG-SVMVAKDDSA-N 472.614 5.190 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1826317679 XQSYPKIRDCGXKY-SXOMAYOGSA-N 457.618 5.180 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4cccnc34)CC2)c1 1828039105 DFKZAELSQNQVEW-ZBLYBZFDSA-N 480.612 5.409 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cnccc3c2)CC1 1828204747 LIGNHRMSCKESKM-HHHXNRCGSA-N 489.736 5.519 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ncoc4c3)CC2)c1 1828302773 YLAXFTWNDTZNDA-DFBJGRDBSA-N 470.573 5.002 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(Br)cccc2-c2ccccc2)CC1 1829674235 DWSDTUSELKVVAM-HSZRJFAPSA-N 494.433 5.263 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccnc3-c3ccc(F)cc3)CC2)C1 1829784396 BTIHQDXUBZVNFC-RUZDIDTESA-N 461.581 5.087 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)c1 1829954658 IZDNEQDRUMZARU-UODIDJSMSA-N 476.020 5.249 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)c1 1829974658 YPOIWZZJFXUVIV-KBMIEXCESA-N 464.009 5.514 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)cccc1C(F)(F)F 1830016664 LPUGXJFNVCCEMQ-DEOSSOPVSA-N 483.534 5.433 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1830599111 CGNXUVSGXOVQJX-SANMLTNESA-N 473.617 5.283 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)cc1 1830626981 FPFHFPMLSNYOOS-VWLOTQADSA-N 481.999 5.021 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occc4c3O)CC2)c(Cl)c1 1830723005 UHWVUQNFRCSQEJ-QHCPKHFHSA-N 491.975 5.211 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3C3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)cc2s1 1830888862 ZJIXVJBAGDVXJF-VWLOTQADSA-N 488.657 5.276 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sc(C)cc4[nH]3)CC2)c1 1830890292 UGUVXDQGZVRILU-XMMPIXPASA-N 474.630 5.265 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1830978709 UVIZCIUCFAPVRA-BVAGGSTKSA-N 493.673 5.616 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1831060824 GWOLDTHIYJQWIL-UWJYYQICSA-N 469.607 5.255 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(Br)c(F)c3)CC2)C1 1831238226 DQGAYYUUUFTBLO-HSZRJFAPSA-N 491.445 5.107 30 20 JKED CCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(C#N)c2)CC1 1831389922 GHCCBRSLJDELET-HSZRJFAPSA-N 453.627 5.015 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)CCCCC)CC1 1831467879 CVEXQFQORSUNSZ-JRFVFWCSSA-N 491.717 5.292 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2cc(F)cc(OC)c2)CC1 1831736890 XBWJCBPUKKQAAY-OOJACJHHSA-N 468.613 5.236 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)CC1 1832026116 LMWITMWXVCGBOK-MHZLTWQESA-N 459.634 5.417 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)c(F)cc3F)CC2)c1 1832632973 ARSLNPHTZRWFRY-GKVSMKOHSA-N 499.989 5.792 30 20 JKED CC1=CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CC1 1832703680 PRPCHGQKWHPGRB-BVAGGSTKSA-N 477.649 5.325 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1833080234 XQHCVXGWRGREST-UHFFFAOYSA-N 494.507 5.479 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1838374011 ZHOFHYWENOMQBY-JOCHJYFZSA-N 485.024 5.467 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC34CN(C(=O)c3cccc([C@H](C)C#N)c3)C4)ccc21 1844743255 YDCVMTLTVXBOFV-OAQYLSRUSA-N 490.607 5.572 30 20 JKED Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 9944358 GUJMFYDFGKQURL-OAHLLOKOSA-N 471.677 5.359 30 20 JKED Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 11153666 USUGWRWHJSMIID-UHFFFAOYSA-O 455.647 6.009 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Br)cc1Cl 14091505 QJSVMFAYYXDNFH-UHFFFAOYSA-N 477.815 5.202 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc3c(c2)CCCC3)cc1F 14872375 KKGBYLHZLHNPOB-UHFFFAOYSA-O 464.542 5.260 30 20 JKED C[C@H](Nc1ccc(COc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C#N 15476662 UDIPGPJDCLSTSN-INIZCTEOSA-N 450.336 5.339 30 20 JKED CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)Nc2ccc(CC#N)cc2)c1=S 15818020 YFAJVINEMFUBBK-UHFFFAOYSA-N 453.999 5.629 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 16878982 NXFVVVVBZMECEP-FQEVSTJZSA-N 451.646 5.390 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(C)c(F)c2)cc1 22732133 AQAWAIPGKIBMCH-UHFFFAOYSA-O 471.568 6.654 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2cc(F)ccc2F)[n+]2ccc(C(CC)CC)cc2)c1 22732306 PQJDTZFYBLEORE-UHFFFAOYSA-O 467.605 6.769 30 20 JKED C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2sc(-c3ccccc3)c(C)c2c1=O 25638584 RMMGDWPSKDUWTO-INIZCTEOSA-N 486.622 5.709 30 20 JKED Cn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccccc1Cl 26009841 WEORGIUUCDHFOL-MRXNPFEDSA-N 465.991 5.228 30 20 JKED Cc1ccc(Oc2ccccc2NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 32980588 BOUARVFJDDOFHT-UHFFFAOYSA-N 468.513 5.762 30 20 JKED Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccc(Br)cc2n1 195687819 YRWPFUFEGJSDGO-HNNXBMFYSA-N 456.752 6.059 30 20 JKED Cc1ccc([C@@H](CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)N2CCCC2)cc1 195745191 PZQFTZSFQAKRDC-AREMUKBSSA-N 498.652 5.164 30 20 JKED COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc1 212189894 ZQTOZEHGTDCDJY-YQPBSLOJSA-N 451.570 5.742 30 20 JKED CCCc1ccc([C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2cccs2)cc1 409473851 GPJFSRQZUVNEKB-AREMUKBSSA-N 486.641 5.722 30 20 JKED CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1)c1ccccc1 409564200 XCKOLQYGDASSCX-HHHXNRCGSA-N 496.611 5.965 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1Cl 409778954 YYEBBXWHOPWXHS-NRFANRHFSA-N 459.912 5.642 30 20 JKED Cc1noc2nc(C3CC3)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c12 487288413 HJQCDQKBFVHBNA-UHFFFAOYSA-N 483.475 5.599 30 20 JKED COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N2CCC(C#N)CC2)cc(OC)c1OC 489407398 LRHHKTVAOVZFKH-ZHZULCJRSA-N 483.568 5.123 30 20 JKED C=CCN(C(=O)CSCc1cccc(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491059005 QIJQJWVTYKQPIJ-UHFFFAOYSA-N 493.075 5.319 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3cc(Br)cc(Br)c3o2)n1 492661155 PVHNJIVGIDAAPG-SNVBAGLBSA-N 498.152 5.081 30 20 JKED Cc1ccc(C[C@H](C#N)Sc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)cc1 494130148 FUDNZNVIJYRGQY-HXUWFJFHSA-N 485.016 5.854 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccccc2F)c1 498316863 TWZWQCJLUIPNHD-SFHVURJKSA-N 486.996 5.694 30 20 JKED C[C@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)C(=O)N(C)CCC#N 501583964 ZSXACCLZYJANPI-HNNXBMFYSA-N 480.640 5.028 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3nc(C(C)C)sc3c2)cc1[N+](=O)[O-] 502459568 LDMSXLLMGKERJZ-UHFFFAOYSA-N 490.545 5.366 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCC3(c4ccccc4)CCOCC3)c2)cc1 505103501 HDCLLAKZDXEJGB-UHFFFAOYSA-N 455.558 5.202 30 20 JKED COc1cc(OC)c(OC)cc1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 510022913 HFFMUFXMSDXNGW-HXUWFJFHSA-N 465.937 5.343 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 510307551 XJTKETHHZOVHNE-UHFFFAOYSA-N 454.408 5.239 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1cccc(OCc2ccccn2)c1 510342070 MNCPTQQPMMKVCF-INIZCTEOSA-N 470.451 5.356 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(Cc1ccsc1)c1ccc(Br)cc1 511092214 HNFUQGJFCZZPSZ-UHFFFAOYSA-N 494.418 5.208 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccc1OC(F)F 511499203 MIHPASRPMXNAPZ-UHFFFAOYSA-N 494.498 5.475 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1Cl 515962557 QWNRVFKDSBFYRZ-NZQKXSOJSA-N 494.016 5.203 30 20 JKED C=CCN(C(=O)Cc1nc2nc(C)cc(C)n2n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 516072413 LBOZQWIQSNNLJJ-UHFFFAOYSA-N 480.597 5.293 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)NCc3cccc(NC(=O)NCc4ccncc4)c3)c2)cc1 517905504 GPDUBKCLQKYMMW-UHFFFAOYSA-N 492.539 5.389 30 20 JKED Cc1cccc(COc2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c(C)c2)c1 517934664 AEOVPZYWMKYPBN-UHFFFAOYSA-N 496.567 5.857 30 20 JKED Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 518668909 TVAOSRDVMJZTPJ-KRWDZBQOSA-N 454.555 5.198 30 20 JKED C=CCN(C(=O)NCc1ccccc1Oc1cccc(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 518738162 SXBTYBVSOBKEKD-IBGZPJMESA-N 472.524 5.053 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 519515362 FELCJFPFWGGRPN-LJQANCHMSA-N 493.654 5.273 30 20 JKED N#C[C@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 520761098 UJRHUSVDFREOMV-NDEPHWFRSA-N 496.588 5.234 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1C 520989251 ZUOKRXLGOCDFHG-UHFFFAOYSA-N 485.975 5.960 30 20 JKED N#C[C@H](NC(=O)Cc1ccc(F)c(Br)c1)c1ccc(OCc2ccccc2)cc1 521502435 MLRRXIMMJUIXAK-QFIPXVFZSA-N 453.311 5.091 30 20 JKED CCCNC(=O)c1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 551705587 CWYSOGLPTSYXBK-UHFFFAOYSA-N 476.964 5.252 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cc2Cl)c1 590330476 HIFGQDUCSYZJQQ-UHFFFAOYSA-N 489.959 5.623 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 603708362 DYOLPVQENDJAIL-AREMUKBSSA-N 488.503 5.336 30 20 JKED CN(C(=O)Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1)c1ccccc1 603995263 VVMRRDZUNXLBRJ-UHFFFAOYSA-N 465.509 5.188 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604027106 FQDKWJZOCILHCF-UHFFFAOYSA-N 459.937 5.392 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 604085004 RWNHMOYMOLZDKU-UZUQRXQVSA-N 497.020 5.128 30 20 JKED Cc1cccc(-c2cccc(CNC(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)c2)c1 608855213 BFXVSCOAJRUSDS-UHFFFAOYSA-N 465.513 5.277 30 20 JKED CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 609079134 LARZASJGIDEDEX-UHFFFAOYSA-N 456.546 5.506 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 609086882 GHRODZZLDQAEHQ-CJAUYULYSA-N 483.568 5.292 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)COc3cccc(NC(=O)c4ccco4)c3)cc2F)c1 609104567 HUQNWAIBXMUNOA-UHFFFAOYSA-N 485.471 5.139 30 20 JKED CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 609173785 XDNBIZQAMBOLHF-CJAUYULYSA-N 459.571 5.086 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2sc3c(c2c1=O)CCC3 609370905 IALDOFZLPPPGSV-HNNXBMFYSA-N 498.699 5.339 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 609415042 NLDYMUBHOIBQEZ-JOCHJYFZSA-N 471.523 5.236 30 20 JKED CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@H](C)Cc1ccc(OC)cc1 609434047 QUOMCAYBDVSCEK-OAQYLSRUSA-N 457.574 5.939 30 20 JKED N#C[C@@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)c1nc(O)c2c3c(sc2n1)CCCC3 613289756 MYJYLYXJCBORHS-SFHVURJKSA-N 456.571 5.516 30 20 JKED Cc1cc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c(C)n1CC(F)(F)F 616004760 VRMBMRTYUUOKAG-UHFFFAOYSA-N 492.338 5.802 30 20 JKED Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 622485406 MVUOSFLLPDWNFB-RFAUZJTJSA-N 475.355 5.604 30 20 JKED Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)CC2 622485821 ZMFULLGWXHXETF-ABAIWWIYSA-N 485.350 5.347 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 726391889 CQIKCYRQBXGVIP-QRWLVFNGSA-N 494.444 5.056 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1=S 727423587 JFRWBWUFNFGAAH-FQEVSTJZSA-N 462.953 5.230 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 728248134 MQRDHRSSOSCGTK-UHFFFAOYSA-N 465.597 5.165 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1 729766726 WBIGSHXTSXVMSB-UHFFFAOYSA-N 498.486 5.682 30 20 JKED C[C@@H](OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1sc2c(c1C#N)CCCCC2 730068675 QFRFQMCQDHOMLC-CQSZACIVSA-N 498.992 5.095 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 730989059 GORKQGILNKGQRZ-XNCYMMTNSA-N 468.022 5.625 30 20 JKED CCc1c(C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1-c1cccc(Cl)c1 731069482 IBSUXWNGUCDBNH-INIZCTEOSA-N 482.993 5.135 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)c1cccnc1 731311027 VCYWPSFCOCOAIB-GCJKJVERSA-N 474.586 5.126 30 20 JKED C=CCN(Cc1cccc(C#N)c1)Cn1nc([C@H](C)N(C)C)n(-c2ccc(Cl)cc2)c1=S 745162717 SQVDSRHBXZUONV-SFHVURJKSA-N 467.042 5.197 30 20 JKED C=CCn1c(-c2ccncc2)nn(CN(CC)Cc2cc(Br)ccc2F)c1=S 746034063 JDJDMZPATRVCBN-UHFFFAOYSA-N 462.392 5.043 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2cscn2)C1=O 747601782 HKROQNWRQYXGTO-QFIPXVFZSA-N 494.642 5.401 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cscn2)cc1 747601936 WYMDUHXNJRXEHE-OAQYLSRUSA-N 499.061 5.828 30 20 JKED Cc1nnc(SCc2c(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)oc3ccccc23)s1 748620442 XGWMHRWPXXJYEO-JOCHJYFZSA-N 496.617 6.793 30 20 JKED CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CCc1ccc(C#N)cc1 790002284 GNNHBICYWIUAOF-UHFFFAOYSA-N 464.543 5.052 30 20 JKED Cc1cc(CSc2ncccc2C(=O)O[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)no1 808915924 GNZPXTCZAAYGBC-NQRZERFFSA-N 477.586 5.096 30 20 JKED Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)cc12 824701733 GBPQWDPMXHWMLG-KRWDZBQOSA-N 476.533 5.027 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O 837301681 NHWUBEHCASWBIK-HXUWFJFHSA-N 469.563 5.056 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2F)C1=O)Nc1ccc(F)cc1F 837544066 YCQIYXSVJAZZGY-OAQYLSRUSA-N 469.488 5.264 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C3CC3)CC2)c1 837640320 NNVKBDBQRLIFST-XMMPIXPASA-N 494.636 5.030 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)c2ccccn2)cc1 837951431 XUKLCMBMNISDQX-CJFMBICVSA-N 486.641 5.982 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N([C@H](C)c3cccnc3)C2=O)c1 838557213 JUQJBDRPPIAWJN-QRQCRPRQSA-N 496.539 5.090 30 20 JKED C=CCn1c(SCC(=O)Oc2c(Cl)cc(C#N)cc2OC)nnc1-c1ccc(Cl)cc1 914437610 IIGMUKNSDFUWLJ-UHFFFAOYSA-N 475.357 5.016 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)ccc1Cl 915019426 RHCUEWORJXWERW-UHFFFAOYSA-N 489.959 5.313 30 20 JKED CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 915106531 CQVAWSGHDKCBOQ-AEFFLSMTSA-N 458.896 5.106 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CC2CCC2)C1=O 915110923 FRMLCWTZMHOXDW-HXUWFJFHSA-N 457.983 5.109 30 20 JKED C=CCc1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)cc(OC)c1OC 915656616 OLGDWYBKKQHXKR-UHFFFAOYSA-N 476.916 5.139 30 20 JKED C=CCOc1ccccc1CN(C(=S)N[C@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 915997542 MLPLUSRNICKIKX-HXUWFJFHSA-N 460.599 5.665 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cccc(OC)c1 916205306 FLVWMSOJNKISJK-HXUWFJFHSA-N 475.998 5.118 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)cc1 916206052 VGJXVUWVZQRZTE-QHCPKHFHSA-N 475.545 5.189 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cccc(C)c1C 916208251 XOGLVKIVYPLCKC-LJQANCHMSA-N 472.954 5.011 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=O)Nc1ccccc1F 916209592 OHRJPXBGQRZSGK-NRFANRHFSA-N 469.488 5.264 30 20 JKED CC(C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916211345 MJTCRMBQWBNSHW-IBGZPJMESA-N 463.525 5.712 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1OC 916211728 FXQDKJGKQNSOMI-XMMPIXPASA-N 489.597 5.173 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(Cl)c1 916212143 JMGBQPGINVUGOS-LJQANCHMSA-N 480.417 5.299 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3ccccc3)C2=O)c(OC)c1 916215975 MKKKSTSXEONBHK-XMMPIXPASA-N 489.597 5.173 30 20 JKED Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N=Cc1ccc(Br)cc1 916272840 KRCFAGGGNGLRGQ-UHFFFAOYSA-N 458.768 5.732 30 20 JKED COc1ccccc1[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)N1CCCCC1 916708361 VUVKJCBNFIQPLC-SXOMAYOGSA-N 468.601 5.699 30 20 JKED CCC(CC)(Cc1nc2ccccc2s1)C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 916780753 WOCOCPMILURKGO-UHFFFAOYSA-N 495.548 5.041 30 20 JKED CCOc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OCC)c1OCC 916943316 VZSBBTRHYDITNS-KRWDZBQOSA-N 465.333 5.151 30 20 JKED N#C[C@H](C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997158 SDNHJRWLUPOOMT-LJQANCHMSA-N 499.423 6.237 30 20 JKED N#C[C@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc2cc(Cl)ccc2s1 917044735 VAFPPUMRQIQMDU-OAHLLOKOSA-N 464.900 5.456 30 20 JKED N#Cc1ccc(CN(Cn2nc(-c3ccc(F)c(F)c3)c3ccccc3c2=O)CC(F)(F)F)cc1 917456836 FRBCARKDHZNFLN-UHFFFAOYSA-N 484.428 5.235 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2cccc(Cl)c2)cc1 917679999 ZNUGEGYDJORODM-HSZRJFAPSA-N 489.000 5.050 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(CC)c1 917690514 XTYRHXWDOPBIGO-HXUWFJFHSA-N 493.551 5.265 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N([C@@H]2CCN3CCC[C@@H]3C2)C1=O)Nc1ccccc1 917701584 UVCNCEZLBTZWBB-CYXNTTPDSA-N 498.652 5.427 30 20 JKED CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C(F)(F)F)cc1 918103607 GGTZUXCDWPXWIP-OAQYLSRUSA-N 497.502 5.222 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(Cl)c1OCCC(C)C 920101476 AZXRHDSGQSPPKN-SFHVURJKSA-N 452.938 5.769 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 920104232 NAYCGAGLGCXGLA-HNAYVOBHSA-N 477.973 5.998 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3cc(C)on3)C2=O)cc1 920357353 XVMPVVLYBSCBRF-FQEVSTJZSA-N 468.966 5.105 30 20 JKED C[C@@H](OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Br)c1 920839475 BNSWNLXXOICBDO-CYBMUJFWSA-N 487.285 5.192 30 20 JKED C=CCOc1c(Br)cc(CNCC(=O)Nc2cc(Cl)ccc2Cl)cc1OC 920956704 WRMKFZNZOYHOSO-UHFFFAOYSA-N 474.182 5.058 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)COCC(F)(F)F)c1 921252319 HDHIMIHZIPIBJM-DNVCBOLYSA-N 497.514 5.062 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1 921252544 GBVBOUIWQLZVHF-QFIPXVFZSA-N 453.608 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)C2)C1 1781148184 ZSNAJYVKARJUTL-PIKZIKFNSA-N 498.067 5.064 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(Cl)ccc3OC)CCC2)cc1 1786367515 RZQCLZNKOUQTNB-UHFFFAOYSA-N 470.997 5.008 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)/C=C/Sc3ccc(C)cc3)CCC2)cc1 1786371676 OCDCCPKJFJHBLQ-WORNYLJVSA-N 450.604 5.326 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cnc(Cl)c(Cl)c3)CCC2)cc1 1786394056 PYOVIHQQOKUDSZ-QGZVFWFLSA-N 452.407 5.091 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)C45CC(F)(C4)C5)cc3)CCC2)cc(C(F)(F)F)c1 1786425153 VXCANLJFAIIRBU-UHFFFAOYSA-N 471.454 5.217 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(OC)c3F)CCC2)cc1 1789456508 VPZAAJPAEUTJAQ-NRFANRHFSA-N 466.553 5.359 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccc(O)nn4)cc3)CCC2)cc1 1789458189 OYSVUMLLWSWORO-DEOSSOPVSA-N 482.584 5.365 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1 1789508769 IWJQACYZBRYCMI-UHFFFAOYSA-N 472.665 5.362 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/c4cccs4)CCC3)cc2)c1 1790072820 SWTGPPIUXBLWJI-MDZDMXLPSA-N 457.555 5.089 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4)cc3)CCC2)n(-c2ccccc2)n1 1790255965 JORADCXIODDCIC-UHFFFAOYSA-N 475.552 5.114 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC1 1790296091 TUXYVXYOVKSCEW-UHFFFAOYSA-N 459.933 5.038 30 20 JKED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3Oc3cccc4ccccc34)[C@H]2C1 1790298020 AAPYCODJSVQHBZ-FSEMWLHASA-N 496.607 5.029 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)sc3Cl)CCC2)cc1 1790566553 BJGLXSMJNLKKSH-CYBMUJFWSA-N 468.406 5.604 30 20 JKED COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2ccc(C3(NC(=O)CCC#N)CCC3)cc2)c1 1790692701 SSBBLGBPQRNBMG-UHFFFAOYSA-N 492.576 5.094 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5ncsc45)CCC3)cc2)cc1 1790706665 OACSYFPZYZRTJZ-UHFFFAOYSA-N 466.566 5.424 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C)CCC2)cc1 1791730351 DFJXSQXTFDCFOK-URXFXBBRSA-N 495.664 5.350 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)cc1N(C)C 1792125353 WFDIGCCZORCRJS-HXUWFJFHSA-N 496.611 5.450 30 20 JKED C=CC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800010927 OIMLPDZFLZGOHR-YLCUBWEDSA-N 454.014 5.092 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(OC)ccc1NC(=O)OC(C)(C)C 1800508888 ZDIUURJQGZIFFE-IIZPIQPGSA-N 497.636 5.062 30 20 JKED CC(C)(C)CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1801831107 SJJBMZOXVNZWKD-REPLKXPHSA-N 478.559 5.220 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2c2cccnc2)CC1 1802393601 QZTYKCIDLGHVJZ-JZRJJGTOSA-N 486.660 5.198 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 1802937634 VIDLGHOBNVUPMZ-WUEDSLEZSA-N 463.597 5.023 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC3(CCN(C(=O)CCc4cc(Cl)ccc4Cl)CC3)C2)cc1 1804945858 UXBNVSCTYNHWRW-UHFFFAOYSA-N 498.454 5.272 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccoc2C(F)(F)F)[C@H]1c1cccnc1 1808575430 XIBYERYWEHDJBK-IEBWSBKVSA-N 463.500 5.005 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@H]1c1cccnc1 1809281969 QZUPUWRZAQRTNL-YIXXDRMTSA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1810175124 SPBXKEXICVHMLB-ITHJLQSDSA-N 486.660 5.160 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCc3cccc(Cl)c32)[C@@H]1c1cccnc1 1810181944 MWMZYRNYXCXADP-DUOVIKOCSA-N 478.036 5.239 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2N2CCCCC2)[C@H]1c1cccnc1 1811859239 UTNDACJNPLAFAL-LEAFIULHSA-N 486.660 5.160 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)[C@@H]2c2cccnc2)c1 1811944008 JTBQPDAZKKHMMR-RXFWQSSRSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCCCC(=O)OC)[C@@H]1c1cccnc1 1812592073 JXUUIPYCWQKEPX-YRLRHBCXSA-N 499.696 5.374 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812596145 IOUQVWNPUUDEGT-XKDCRVNJSA-N 493.957 5.215 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3sccc3Cl)[C@@H]2c2cccnc2)c1 1813866430 RFSAJPGDTRGFQC-QGCDCVKKSA-N 479.005 5.057 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc(Cl)s3)n[nH]2)c1 1815732559 VMBRQHXOOAQQLN-FOIQADDNSA-N 482.009 5.300 30 20 JKED Cc1cc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)c2[nH]1 1818653309 IQMXYIFIASYUOF-BXKMTCNYSA-N 480.572 5.446 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)[nH]n1 1819306816 FWZJDAVTVJDKHD-UTEMQFSSSA-N 458.562 5.630 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@H]32)[nH]n1 1819554587 JQCUNCWCRVKMMB-QGQQZZQASA-N 464.635 5.282 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cn3ccc(Cl)cc3n2)[nH]n1 1819554617 LCMFNLFJIXWQRB-LJQANCHMSA-N 468.989 5.009 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3scc(-c4ccccc4)c3[nH]2)n[nH]1 1820115836 NILHPZAQOPOXQS-KUHUBIRLSA-N 479.631 5.244 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)c1 1820563096 PULSOBUVORWRDD-OPAMFIHVSA-N 461.953 5.310 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)ccc1F 1820913367 JBTFMUARLKLGCN-SANMLTNESA-N 495.558 5.051 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CC3CCC(C)(C)CC3)n[nH]2)c(C#N)c1 1820979127 ZIJWBPVCHTVVFM-DEOSSOPVSA-N 491.636 5.131 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)ccc1F 1821119535 WUBLSOKSRKPERH-HXOBKFHXSA-N 459.525 5.104 30 20 JKED C=CC[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)sc2C1 1821175738 OHBPLOAUJHRKIQ-WBVHZDCISA-N 474.586 5.322 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4nscc34)[nH]n2)c(Cl)c1 1821277409 ZKGOXMKMBAPOPI-NRFANRHFSA-N 490.976 5.164 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)CCc4cccc(C#N)c4)[nH]n3)ccc2[nH]1 1821582558 VIDCEYNLLXASNC-RUZDIDTESA-N 480.572 5.010 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1821987423 UXFRNVUBOVOGHM-IBGZPJMESA-N 493.514 5.464 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2cc(F)c(F)c(F)c2)n[nH]1 1822284027 LAOGQKJNAXXJOU-OBEBJHFJSA-N 472.511 5.301 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccc(Br)cc4)CCC3)n[nH]2)C1 1822489926 NPFALHDZPLWOLK-NRFANRHFSA-N 497.437 5.252 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cc(F)ccc3Cl)[nH]n2)c1 1823212921 ZLNFETLGQVIBLX-MWTRTKDXSA-N 493.970 5.378 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4scnc4c3)[nH]n2)c1 1823214106 AIBKFTRQTWERML-AOMKIAJQSA-N 484.585 5.266 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 1823749845 XGSBSLVYZWLRDU-FQEVSTJZSA-N 466.453 5.614 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1823753284 ZFVVVUMVCPRIHL-QHCPKHFHSA-N 499.099 5.776 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823807327 MLBBNHDIQKUKOP-FNZWTVRRSA-N 478.036 5.178 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3c(Cl)cncc3s2)CC1 1824537997 BKAKPCWFSCFKKN-GHTZIAJQSA-N 480.099 5.137 30 20 JKED O=C(c1cc(F)ccc1C(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1 1824876582 STLIRUFICIQHED-IBGZPJMESA-N 496.467 5.810 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3Cl)CC2)cc1 1824879590 FBNRLZIRNHDNDV-AREMUKBSSA-N 496.026 5.146 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 1826422450 IAKSCDHVVQJKKQ-DSBYRVASSA-N 456.696 5.355 30 20 JKED CC(C)[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)CC1)c1ccc(Cl)cc1 1828994924 NQZPFPQCFZTTPM-IJTAEOAESA-N 498.067 5.411 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1)c1ccccc1 1829033152 RHTFNRBYNLBNIU-VPUSJEBWSA-N 497.639 5.567 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1 1829068235 LWZHIUFPAJXVOA-XMMPIXPASA-N 484.681 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1829070074 GKMPBBUGRAJXKG-MDRMPYQZSA-N 467.610 5.220 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c1Cl 1829689342 BCGXMEGNMUWTTF-QHCPKHFHSA-N 475.976 5.505 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829838640 RQBVAVAOWRNFBI-GMAHTHKFSA-N 499.652 5.628 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)oc2ccccc12 1830015231 WNDPEWCHRWALBS-XMMPIXPASA-N 455.558 5.160 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830492062 LTDKCKGSBUOAHA-SANMLTNESA-N 478.658 5.631 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1830752894 RDVIJTDKOZDZCB-NDEPHWFRSA-N 498.671 5.025 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)CC1 1830795417 PIFZLLLDPAPATC-AREMUKBSSA-N 495.614 5.411 30 20 JKED C[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806843 OUBZWBURYYORLD-BXKMTCNYSA-N 472.601 5.183 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nc(C)sc23)CC1 1831445784 JDNMSOOYJUDTGK-FQEVSTJZSA-N 461.578 5.049 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC([C@H]2CCCCN2C(=O)C2=COCCC2)CC1 1831920083 SISKWJBPFKBAQS-GDLZYMKVSA-N 482.624 5.014 30 20 JKED Cc1ccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)ccc2n1 1832632137 KZWYRFYCZAKNCQ-KCWXNJEJSA-N 494.639 5.717 30 20 JKED CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1 1832633079 BUFWHCRFKNYOEN-ZBLYBZFDSA-N 457.618 5.423 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832708228 GVVSMTNXGCZOMP-QFIPXVFZSA-N 484.534 5.061 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832711939 SHPHUIBBKYTWPC-SFHVURJKSA-N 482.440 5.420 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832727669 RYNIFXIZXMRIAY-RXFWQSSRSA-N 461.581 5.308 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(Cl)cc(Br)c3)CC2)CCC1 1832786217 CBOZPNCZNPWZIR-HXUWFJFHSA-N 492.845 5.030 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(C)(C)C)oc3C)CC2)CC1 1834200077 UNGNWUMSXJJVEW-UHFFFAOYSA-N 471.686 5.063 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCC(OC4CCN(C(=O)c5cccc([C@H](C)C#N)c5)CC4)CC3)cc2c1 1838217824 SMVADYFWMUNJLJ-OAQYLSRUSA-N 498.627 5.029 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CC1 1838665741 HUTIZBHHITUVLH-INIZCTEOSA-N 486.962 5.183 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2 1844355405 IPFVMKIYQPKCGE-JOCHJYFZSA-N 489.701 5.046 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 9447986 FYGVPAGRHYLMPT-HXUWFJFHSA-N 454.599 5.518 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1 10014961 GKBLXPSSIMEJCF-UHFFFAOYSA-N 463.607 5.699 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc2c(c1)CCCC2 10118229 PWMHHPDMFOFWQF-UHFFFAOYSA-O 453.534 5.191 30 20 JKED CCOC(=O)c1[nH]c(C)c(C(=O)/C(=C(/S)Nc2c(C)cc(C)cc2Cl)[n+]2ccccc2)c1C 10178961 FTZAIUZZCJRWAD-UHFFFAOYSA-O 485.029 5.417 30 20 JKED CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2cccc(Br)c2)cc1 11084609 NGYIQNCBGGKQED-UHFFFAOYSA-O 499.454 5.497 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl 11149415 NMORQQXUVLPRJY-AWEZNQCLSA-N 477.417 5.416 30 20 JKED N#Cc1c(NC(=O)COC(=O)c2csc(-c3ccc(Cl)cc3)n2)sc2c1CCCCC2 16457418 SVFIWGVFKBQFCA-UHFFFAOYSA-N 471.991 5.461 30 20 JKED COCCCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccccc1Cl 21725507 KXCPMQNCJROMJZ-RKDDFOCISA-N 490.073 5.046 30 20 JKED Cc1ccc(C)c(OCc2nnc(SCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)o2)c1 29381368 IFWIGPFVKRWCJJ-UHFFFAOYSA-N 470.982 5.266 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 32786099 OFSJXXSQKPEMTM-UHFFFAOYSA-N 474.634 5.191 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nnc1C1CC1 36817738 XXJCTPXWQLQSJS-QRWLVFNGSA-N 482.009 5.446 30 20 JKED CCOc1cc(C#N)ccc1OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 71858151 SGYWQOOSZKXGNR-HXUWFJFHSA-N 455.470 5.053 30 20 JKED CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 116835337 PABUJKPSTYWDJO-UHFFFAOYSA-N 495.701 6.957 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1cccc(F)c1)c1nccn1C 195634585 GKRVLGSRRLMIOQ-XMMPIXPASA-N 455.493 5.443 30 20 JKED COc1ccc(-n2c(SCC(=O)N(CCC#N)c3ccccc3)nnc2-c2cccc(C)c2)cc1 255932988 ALJTYQLJPMELRK-UHFFFAOYSA-N 483.597 5.290 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1Cl 302976870 UHXBGTCAUSTQCQ-RCZVLFRGSA-N 471.988 5.415 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 303208926 QHCWGCZANBQDGB-ZRZAMGCNSA-N 498.627 5.377 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(I)c1 409773157 WQYIEXFZOWJTNT-UHFFFAOYSA-N 474.323 5.364 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1nc(-c2ccccc2)cs1 410386683 XEOJXJVWHXLRDX-SFHVURJKSA-N 482.565 5.077 30 20 JKED COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCCN(c6ccccc6C#N)CC5)(C4)C2)C3)cc1 481131648 RHSCODPERPTIEJ-GVYIAWKKSA-N 469.629 5.144 30 20 JKED CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481172472 XGPSXQFMVIUVPR-XMMPIXPASA-N 459.521 5.215 30 20 JKED C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 482781171 LPIFBPQWVCADCQ-LJQANCHMSA-N 486.547 5.555 30 20 JKED C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 485819168 AGJOBEGNICGLCV-OPAMFIHVSA-N 499.920 6.172 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4o3)s2)c(C(F)(F)F)c1 487417102 KGPVGVICEIKINO-UHFFFAOYSA-N 456.449 5.337 30 20 JKED CC1CCN(c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2[N+](=O)[O-])CC1 487468018 FBEBSNOBWKVHOS-UHFFFAOYSA-N 461.547 5.002 30 20 JKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3ccc(OCC(F)(F)F)cc3)c2)cc1 494570872 QEHWYXCZOLZQNJ-UHFFFAOYSA-N 476.476 5.074 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cs2)cc1 501880429 HTJHLARAMPNXAR-UHFFFAOYSA-N 459.493 5.674 30 20 JKED C[C@@H](CC#N)N(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 505155127 PXCNGKKWCPYVET-AWEZNQCLSA-N 460.390 5.094 30 20 JKED CCCc1noc2nc(C3CC3)cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 508207086 RPNWFNHGRCVNHC-CQSZACIVSA-N 464.497 5.944 30 20 JKED C=CCN(C(=O)c1ccc(Sc2ccccn2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 508852686 MYMVHIGYJIPQOK-UHFFFAOYSA-N 474.567 6.097 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2ccccc2)c2nccs2)cc1 509957025 QGTDOISHLPISLO-HSZRJFAPSA-N 456.527 5.727 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccoc1C 510321418 HKUWWYXOPKILGY-IBGZPJMESA-N 477.417 5.795 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C#N)c2ccc(F)cc2)c(OC)c1 513007352 NTLJIJFDQGLMFM-DEOSSOPVSA-N 457.505 5.305 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 514569587 GBMQQPWIOFRDGB-UHFFFAOYSA-N 490.401 5.554 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)s2)cc1 515101506 FSEJOWSSTMEOPI-SFHVURJKSA-N 459.600 5.627 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 515800804 JXBAEUMZICUZIU-UHFFFAOYSA-N 455.986 5.631 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 515952464 KKWVKPPINMTZOC-IBGZPJMESA-N 484.371 5.708 30 20 JKED CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 515963451 FMLKAPBAIQZROY-UHFFFAOYSA-N 498.764 5.364 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3SCc3cccs3)n2)cc1 516714124 QIKPXDRDIXINHZ-HXUWFJFHSA-N 462.621 6.663 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 517533379 SYRHVDCUNYSRJY-OPAMFIHVSA-N 456.011 5.720 30 20 JKED C=CCN(C(=O)Nc1cc(Cl)ccc1SC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 518255467 DKSONLWCLWTKRR-MRXNPFEDSA-N 457.003 5.597 30 20 JKED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 519106060 NBSRXOTVOOXJIR-ZHRRBRCNSA-N 481.980 5.833 30 20 JKED Cc1sc2nc(CS[C@@H](C)C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)nc(O)c2c1C 519485170 ILLSQVJNYJWUDJ-MAUKXSAKSA-N 468.648 5.314 30 20 JKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)[nH]c2c1 520292534 OAZZHTNEACFVEK-PXDATVDWSA-N 469.976 6.549 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3n[nH]c(C4CC4)c3Br)cc2Cl)cc1 520456243 WWVVNDBJOMMWIT-UHFFFAOYSA-N 457.715 5.619 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)s2)cc1 520460413 RJAYIXKGXPICQH-UHFFFAOYSA-N 482.491 5.132 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)n2)cc1 521434498 SIVIOKVQGHOSEH-HSZRJFAPSA-N 499.617 5.360 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 521715350 NAIXXAGWPDINGM-UHFFFAOYSA-N 452.442 5.108 30 20 JKED C=CCN(C(=O)c1ccc(-c2nc3ccccc3s2)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 521790612 WDMYFCYCUFFMQL-INIZCTEOSA-N 472.599 5.390 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1OC 521830240 JEFNUNMDFOEEBG-QGZVFWFLSA-N 479.964 5.097 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1 524659384 ZNVUMFZXWDLWCD-UHFFFAOYSA-N 457.549 5.874 30 20 JKED N#Cc1cccc(OC2CCN(Cc3nc(O)c4c(-c5ccccc5Cl)csc4n3)CC2)c1 552203461 OEUHYLNKQGHJSI-UHFFFAOYSA-N 476.989 5.632 30 20 JKED C[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 590672764 ADPGXFYTKAJTOI-AWEZNQCLSA-N 492.605 5.276 30 20 JKED Cc1ccccc1-n1ncc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1C(F)(F)F 603758684 ATUHQNJOAPUHSF-HXUWFJFHSA-N 494.904 6.761 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H]1c1ccccc1OC 603764427 GCIYFEKDABGOEV-CUBQBAPOSA-N 498.583 5.473 30 20 JKED CC(C)n1ncc2c(C(=O)Nc3sc(-c4ccccc4)cc3C#N)cc(-c3ccco3)nc21 603968978 RFWOMQAYKNWVBP-UHFFFAOYSA-N 453.527 6.125 30 20 JKED Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 603969369 NOLASWBCXPJOGR-GOSISDBHSA-N 479.627 5.411 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)cc2Cl)cc1 604027148 JDKPODCOPJZSMT-UHFFFAOYSA-N 495.913 5.773 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1NS(C)(=O)=O 604459656 DBNWEQMKEDUZLT-KKSFZXQISA-N 482.993 5.250 30 20 JKED COc1ccc([C@H](Cc2ccccc2C)NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1OC 604475699 VBGUSZDKCQIRKU-SANMLTNESA-N 498.627 5.090 30 20 JKED N#Cc1ccc(N2CCC(Nc3nc(C4CC4)nc4scc(-c5ccccc5)c34)CC2)nc1 608974774 IWQUREKRLCWPDP-UHFFFAOYSA-N 452.587 5.583 30 20 JKED Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 609059012 ADHBMQMBFKTRKX-DEOSSOPVSA-N 452.514 5.413 30 20 JKED Cc1cc(-c2noc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)ccc1F 609104591 IJGZYDVHDZKXHV-UHFFFAOYSA-N 474.467 5.345 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)O[C@H](C)C2 609326878 VLCAJUAEVIUABJ-HNKPZJSLSA-N 455.514 5.210 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 609414945 DNLJDLFPMHOOAN-LJQANCHMSA-N 480.362 5.587 30 20 JKED COc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1OCc1ccc(Br)s1 613292251 DOGFROBSYMUGBB-GOSISDBHSA-N 493.382 6.136 30 20 JKED C=CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 645077560 JDCIYCBNODXATC-NOZRDPDXSA-N 469.566 5.693 30 20 JKED C=CCn1c(SCc2nc(O)c3ccc(C(F)(F)F)cc3n2)nc2cc(Cl)ccc2c1=O 679119715 QLBGCBOFARVBAS-UHFFFAOYSA-N 478.883 5.196 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 726399246 MZKXUZADCBUGAU-JLTOFOAXSA-N 477.989 5.173 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c1 726499880 MBEQZFBDXCSXAJ-UHFFFAOYSA-N 467.529 5.358 30 20 JKED Cc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccc(Cl)cc2Cl)cc1 726571402 GWQZISILNURAAU-UHFFFAOYSA-O 475.808 6.438 30 20 JKED CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@H](C)c2cccs2)cc1 726576872 JEDLWBYPWORSFF-LJQANCHMSA-O 494.706 5.957 30 20 JKED C[C@@H](N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccccc1)c1cccs1 726581035 YMYXCKPDEPCXRV-QGZVFWFLSA-O 466.652 5.394 30 20 JKED Cc1c(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 727267065 BIXCMWZARBYLHK-ZHACJKMWSA-N 483.484 5.323 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2scnc2C)C1=O 729144069 UMESXNDWEBMNPW-HXUWFJFHSA-N 494.642 5.237 30 20 JKED N#C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(OCc2ccccc2)cc1 729369628 IUVRTQWFBAZGBH-DEOSSOPVSA-N 460.624 6.129 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2c(C)noc2C)c1 730444532 NJKFQLIDZVCLNN-DEOSSOPVSA-N 490.629 5.420 30 20 JKED C[C@H](/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C1CCC1)c1cccs1 730463283 WDNYYQXLJSOWQY-OECXVZBCSA-N 482.458 5.997 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1)c1nc2ccccc2s1 730686089 MKCQDMIDLDCZSA-AOMKIAJQSA-N 481.346 6.194 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cocn2)c1 730711551 FBFDCDHPNCRYTJ-FQEVSTJZSA-N 468.966 5.105 30 20 JKED O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 730741023 LSXLPIIFWVPMMV-UHFFFAOYSA-N 497.714 5.258 30 20 JKED C=CCn1c([C@@H]2COc3ccccc3O2)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730932787 QKFREXRUMVUDTO-QFIPXVFZSA-N 499.036 5.019 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[C@@H](C)c2cccnc2)c1C 730943511 DYPUNQZEBPLZTH-GAJHUEQPSA-N 494.567 5.698 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1CC2 731059940 DMPLHEMSADUDMI-MRXNPFEDSA-N 462.596 5.561 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](C)Sc1ccc(Br)cc1 731075151 WJENIOHGSFFWOE-GJZGRUSLSA-N 493.448 5.506 30 20 JKED CC(C)(C)n1cc(/C=C\C(=O)c2ccc(NS(C)(=O)=O)cc2)c(-c2ccccc2Cl)n1 731159387 PVALVAIEUHUNID-KAMYIIQDSA-N 457.983 5.226 30 20 JKED CC(C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(SC(F)F)cc1 731303911 DVPFQDUQBIEQSK-GOSISDBHSA-N 479.574 5.323 30 20 JKED Cc1[nH]c2ccccc2c1CCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731306008 IMVRMIXBPLFLOR-VWLOTQADSA-N 498.608 5.385 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)c2cccnc2)c1 731312697 OIQQPCBMNLSRFD-HOYKHHGWSA-N 488.613 5.632 30 20 JKED CN(c1ccc(CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1)C1CCCCC1 742416457 ZPMHVPBONFETMU-UHFFFAOYSA-N 487.604 5.108 30 20 JKED N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)c1nc(-c2c(F)cccc2F)cs1 747114245 GOARBRBUQHSWEE-CYBMUJFWSA-N 473.551 5.914 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cscn1 747600543 BQSVFSLSOXAGLZ-QHCPKHFHSA-N 497.605 5.328 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2Cl)n1 748036460 OEECBRSYTAHWDQ-FQEVSTJZSA-N 498.967 5.043 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccc(Oc3ccccc3)nc2)C1=O 749444158 SGZPNRZLUOGEPL-QHCPKHFHSA-N 488.613 5.265 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1cc2ccc(SC)cc2nc1Cl 792045410 UUAUYDTUYADUTK-UHFFFAOYSA-N 474.099 5.708 30 20 JKED Cc1occc1-c1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)n1-c1ccccc1 808334255 HDSUFQRKUSWHJZ-OAQYLSRUSA-N 497.605 5.928 30 20 JKED C=CCN(C(=O)c1cc2cc(OC)ccc2nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 809751745 JKZSJWBPWWVEDP-UHFFFAOYSA-N 460.515 5.416 30 20 JKED O=[N+]([O-])c1ccccc1-c1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)s1 812443853 YXNIJBOAWKZBJU-UHFFFAOYSA-N 455.952 5.743 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)cc1 837916143 AHGJWZJBKDUKEY-DEOSSOPVSA-N 496.652 5.221 30 20 JKED C=CCN1C(=O)N[C@@H](c2ccc3ncccc3c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839723562 CJXOGSQJQUPNIJ-QFIPXVFZSA-N 466.463 5.419 30 20 JKED C=CCN1C(=S)N[C@@H](c2ccc(O)c(OCC)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839788168 ZWPXWXRMRGKLKP-NRFANRHFSA-N 491.535 5.140 30 20 JKED CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840195843 FBSPXMYLNYGMKE-QHCPKHFHSA-N 476.989 5.761 30 20 JKED CSCC[C@@H](NC(=O)c1ccco1)C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102609 AETILPUAMZBAFE-GOEBONIOSA-N 494.425 5.438 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)C[C@H]4CCCO4)c3C#N)C(C)(C)C2)o1 915564404 VZNQYTQEWURENF-GXVATQTDSA-N 480.586 5.350 30 20 JKED Cc1cc(CSc2ccccc2C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)on1 916057966 ZCYIMGPJKRBRNR-HSZRJFAPSA-N 473.985 6.837 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1cccc2ccccc12 916205520 PHYHPIORSSEFMP-DEOSSOPVSA-N 466.566 5.395 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(C)cc2)C1=O 916208635 NMDZSJOKVZOJOA-QHCPKHFHSA-N 477.561 5.303 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C)cc1 916211750 GACOBEPDAKTYNG-OAQYLSRUSA-N 490.025 5.044 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C(C)c4cc(OC)c(OC)c(OC)c4)c23)cc1 916357210 FKEBJHUGEFWPGA-UHFFFAOYSA-N 464.547 5.229 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)oc2c1ccc1ccccc12 916883075 GUCPIYQSRFAZDR-IBGZPJMESA-N 450.466 6.170 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2c1C 916883538 LYADJUPODIYYOQ-CQSZACIVSA-N 478.571 5.063 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cs2)cc1 916887209 LRPPQGDXUTWPMF-IBGZPJMESA-N 487.553 5.235 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc1ccc(Br)cc1 916900666 RFLMYBWXNUSRBV-DOMZBBRYSA-N 481.799 5.248 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSCc1ccc(Br)cc1 916902292 CTXGIFVMIWHTPG-LJQANCHMSA-N 459.409 5.155 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 916902761 HEMCJOHNLUAYSX-IBGZPJMESA-N 451.473 5.025 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)COc1ccc(C2SCCCS2)cc1 916903892 UBTRCHWZOZTUFR-OAQYLSRUSA-N 468.644 5.406 30 20 JKED N#C[C@@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 916916686 ZUPPQXNYRFLNHA-OAQYLSRUSA-N 485.883 6.155 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2sc3cccc(Cl)c3c2Cl)cc1Cl 916941638 ZVZHHNRKXQWZMN-SNVBAGLBSA-N 453.734 5.831 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916946156 MITGEIZWWKOZRO-GOSISDBHSA-N 462.333 5.230 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042045 AYVFJKAVHQFUFL-HNNXBMFYSA-N 473.505 5.173 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nc2cc(Cl)ccc2s1 917045890 CAWRFWMQTDUULW-NVXWUHKLSA-N 478.788 5.738 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc2cc(Cl)ccc2s1 917046468 KHVAYNZPGSIOOI-CYBMUJFWSA-N 461.355 5.622 30 20 JKED N#C[C@@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc2cc(Cl)ccc2s1 917046564 IZDCZZXKHAGSSP-INIZCTEOSA-N 451.891 5.050 30 20 JKED CCCN1C/C(=C\c2cnc(-c3ccccc3)nc2)C(=O)/C(=C/c2cnc(-c3ccccc3)nc2)C1 917143904 WUIFWUJPIXIKCB-CIOBDNPFSA-N 473.580 5.362 30 20 JKED C=CCn1c(COc2ccccc2F)nn(CN(Cc2ccc(F)cc2F)C2CC2)c1=S 917476907 DUOGKKGTSKGEQI-UHFFFAOYSA-N 460.525 5.218 30 20 JKED N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2F)cc1 917696947 QOJJUBYHFSKDOL-JOCHJYFZSA-N 494.498 5.136 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCC2CCCC2)C1=O 917701684 ALUSEQMACSQYRI-HSZRJFAPSA-N 476.602 5.107 30 20 JKED COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H](C#N)Cc2ccccc2)cc1Cl 917900118 YPMJLULQTPKPTC-KNGGAZFVSA-N 480.014 6.022 30 20 JKED Cc1c(Br)c2ccccc2n1CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 918487606 VXPWOHTWWXEWCP-AWEZNQCLSA-N 479.161 5.367 30 20 JKED CN1C/C(=C/c2csc(-c3ccsc3)n2)C(=O)/C(=C/c2csc(-c3ccsc3)n2)C1 920063032 SLFLWFXJRRIXRZ-JTSIYALXSA-N 467.666 6.038 30 20 JKED O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1csc(-c2ccsc2)n1)C(=O)c1ccccc1 920065437 XOMZAXSFEBTRKQ-UDWIEESQSA-N 474.563 5.548 30 20 JKED Cc1sc2ncnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)c2c1C 920141841 MNZKWENQVWPXDB-MRXNPFEDSA-N 461.597 5.272 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 920870133 GVSLBIHNGSTHDE-FDDCHVKYSA-N 461.587 5.083 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nc2cc(Cl)ccc2c1=O 921167197 PECIVXRBNYIETI-UHFFFAOYSA-N 469.994 5.408 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1 1778862917 DALVTDFFUHZLND-WEQGDAHASA-N 458.687 5.099 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccc(OC)cc5)on4)CCC3)cc2)C1 1785806683 MNRCHILBDMYSMN-UHFFFAOYSA-N 457.530 5.064 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC45CCN(C(=O)OC(C)(C)C)CC5)CCC3)cc2)C1 1785810087 ARKNEVOIZAXSHU-HSZRJFAPSA-N 493.648 5.124 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCc5ccccc5[C@@H]4O)cc3)CCC2)c1 1786176112 XIXHLJQWSHWQPV-NFTQTCPJSA-N 493.607 5.357 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3-c3ccccc3)CCC2)cc1 1786366036 IQRGBYLSJIWYLM-UHFFFAOYSA-N 473.573 5.381 30 20 JKED Cc1nc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c(C)s1 1786946889 IWGSPLUXYUHANJ-QGZVFWFLSA-N 472.614 5.377 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCC(F)(F)F)cc3)CCC2)cc(C(F)(F)F)c1 1787871738 RTBKXCSKWIFJCH-UHFFFAOYSA-N 483.412 5.667 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3nc4ccccc4o3)CCC2)cc1 1788650042 RTSLFRVZRQNRMP-OUKQBFOZSA-N 471.538 5.076 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CCC2)c1 1789004443 JSMMTQYEKRFYPP-UHFFFAOYSA-N 453.473 5.505 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3csc4c3CCCC4)cc2)CCC1 1789267315 BQZNVDVKIPEJGG-QGZVFWFLSA-N 453.608 5.176 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)c3c(CC)noc3C)cc2)CCC1)c1ccc(O)cc1 1789815458 GSAJYSXJCZMGSB-OAQYLSRUSA-N 485.584 5.196 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)n[nH]1 1790131600 RPZNUBJWBWRJRG-SFHVURJKSA-N 455.562 5.222 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCCC4(F)F)CCC3)cc2)c1 1790257425 YFQXCBJFKLBLIL-DEOSSOPVSA-N 455.480 5.224 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc5cccnc45)CCC3)cc2)c(C#N)c1 1790473058 OHCBOBUQFVSAEL-UHFFFAOYSA-N 490.563 5.105 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cnc5ccccc5c4)CCC3)cc2)cc1 1790705261 OMZQPUAYVDEMPZ-UHFFFAOYSA-N 488.591 5.681 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C(F)(F)F)c[nH]4)CCC3)cc2)cc1 1790707109 DEWDBRRMLLYFCJ-UHFFFAOYSA-N 466.463 5.161 30 20 JKED COc1cccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(C#N)cc5)CCC4)cc3)c12 1790919136 YLUKAPRDHKRFGH-UHFFFAOYSA-N 478.552 5.039 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C)CCC2)cc1 1791248679 CSDLVZXTUIYUGX-JTAQYXEDSA-N 483.653 5.368 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791252030 GIDUBJQULLQWGS-ABPIBVIQSA-N 495.664 5.272 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(F)c(F)c2CSc2ccccc2)C3)C1 1792502279 KXGWOOIXMNRARR-ACDBMABISA-N 482.596 5.475 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1cc(Br)ccc1OC)C2 1792574872 MQSHYKHZKHLPHY-XUZQTMSHSA-N 489.454 5.102 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCCC(=O)OC(C)(C)C)C2 1793051929 NKHXCDCOZKHMCI-NUNAXRQHSA-N 460.659 5.075 30 20 JKED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1SCc1ccccc1 1799020760 GOVKKGFHNDIBMN-BKFWDETESA-N 475.658 5.394 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)cc(Cl)cc2Cl)C3)c1Cl 1799305057 AWRFKELDPPKUSI-QDMKHBRRSA-N 480.754 5.223 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)cc(C)c1NC(=O)OC(C)(C)C 1800832567 FDZGGHQWUFGCHZ-KAOXLYBCSA-N 495.664 5.671 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)[C@@H]2c2cccnc2)C1 1802416944 SHSVGYXHUWAHAD-IIBYNOLFSA-N 477.914 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1802501909 UYKJXKTYMNJHET-AHKZPQOWSA-N 461.650 5.446 30 20 JKED Cc1cc(C)cc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)C3)c1 1802662986 NLMBGYGFFJBBOG-BKFWDETESA-N 483.534 5.079 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@H]1c1cccnc1 1803084470 QFPHKNLTYKBFCZ-RSXGOPAZSA-N 484.600 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)COc2c(C)cc(C)cc2C)[C@H]1c1cccnc1 1803430405 ZFVTZSRIPUKMND-AZGAKELHSA-N 477.649 5.084 30 20 JKED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1803560991 BEFSLSINRLYPHK-DFHRPNOPSA-N 497.595 5.283 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@@H]1c1cccnc1 1804844044 OIPPROGOJKVEQI-NAKRPHOHSA-N 482.628 5.473 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3nc4cc(C)c(C)cc4[nH]3)CC2)C1 1804862222 MTNMXXZXYJOINE-UHFFFAOYSA-N 450.627 5.017 30 20 JKED C=CCSCC(=O)N1CCCC2(CCN(C(=O)C3CCC(c4ccc(Cl)cc4)CC3)CC2)C1 1806670097 NMQLIHLWVVPXBB-UHFFFAOYSA-N 489.125 5.764 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 1809253158 PVPXQAURYOJBOW-BNAYCWRJSA-N 478.552 5.088 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cnc3ccc(Cl)cc3c2)[C@@H]1c1cccnc1 1812115565 RQWQAYBBKPXYCO-ZOSUSCCZSA-N 489.019 5.371 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[C@@H]1c1cccnc1 1812428033 VZDLKWGSCBVBTC-VJTSUQJLSA-N 497.083 5.036 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccc(C)cc4)CCCCC3)[C@@H]2c2cccnc2)C1 1813221231 VOFQKPGZGYPFQX-IGKIAQTJSA-N 471.645 5.264 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc4ccoc34)[C@@H]2c2cccnc2)c1 1813868563 OJEJDRKSCWNNPD-GJQIQAERSA-N 478.552 5.088 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)[nH]n1 1815655943 BBGSROPEKBYNOG-FQEVSTJZSA-N 473.042 5.096 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817765051 ZASLYTOGZRATFP-HXUWFJFHSA-N 483.494 5.128 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc[nH]c3c2)n[nH]1 1818487299 DHPSUSFESFJJLK-QHCPKHFHSA-N 475.669 5.248 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)oc2ccccc12 1818566516 BDFMIKNDTNWROZ-QHCPKHFHSA-N 481.556 5.275 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)[nH]n2)nc2ccccc12 1818653954 QGWLZVITKAMHNV-SANMLTNESA-N 492.583 5.077 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c3cccc(Cl)c23)n[nH]1 1819224044 BADHJHIVZJRIDD-IERDGZPVSA-N 465.985 5.619 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)[nH]n1 1819307659 KDWHEJZKTKTHND-UZLBHIALSA-N 460.500 5.503 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)[nH]n1 1819310990 HDPQKZCMVASGPZ-OXJNMPFZSA-N 456.974 5.146 30 20 JKED Cc1ccc(S/C=C/C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)[nH]n2)cc1 1819359097 IVHOWJVIEMVRMQ-SERSOLAASA-N 471.586 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2sc(Br)nc2C)[nH]n1 1819555010 WEHYFFFWAOSRNY-OAHLLOKOSA-N 494.459 5.235 30 20 JKED CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)CCCCC1 1820221291 STOGWBSRVOSQEN-IBGZPJMESA-N 453.974 5.211 30 20 JKED Cc1cccc(C)c1SCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821180376 SKOGRFMWVOQPCC-QHCPKHFHSA-N 487.629 5.191 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccccc3)[nH]n2)c(Cl)c1 1821279804 IWEWXJFXUUSLAW-MIZPHKNDSA-N 473.964 5.044 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c[nH]c4cccc(Cl)c34)[nH]n2)c1 1821325008 OUCSXBIIKQUOHX-QFIPXVFZSA-N 486.963 5.344 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC(C)C)cc2F)n[nH]1 1821328876 VOHGJRIMMRFHJV-AUSIDOKSSA-N 468.573 5.410 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2cccc3ccccc23)n[nH]1 1821348912 CZSCFOCHKVANBB-XMMPIXPASA-N 493.567 5.965 30 20 JKED C=C(C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)[nH]n1)C(F)(F)F 1821993525 FILYQUKGCPXKRB-SFHVURJKSA-N 480.918 5.296 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)[nH]n1 1822391767 NIKMWBHEEAPXKW-JOCHJYFZSA-N 463.969 5.029 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CSC2CCCC2)CC1)c1ccc(O)cc1 1824478581 SBKVOUZYBRHNMH-SHQCIBLASA-N 496.717 5.185 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1824501149 FTLKKNJHSHYTJP-HSZRJFAPSA-N 472.029 5.037 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824986247 MCVYSIYCUZRNOO-HSZRJFAPSA-N 479.086 5.038 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)noc2C)CC1 1825765659 VJYCFUSCXDGMFB-DQEYMECFSA-N 475.633 5.652 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C)c2)CC1 1827336804 NKBJEUQFMFDRBH-NVQXNPDNSA-N 490.648 5.091 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)CC1 1827364830 HHFFGDRLCHGOCI-XMMPIXPASA-N 497.586 5.202 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc4ccoc4c3)CC2)c1 1827503688 NQMAWYKMMHWVAA-UQBPGWFLSA-N 470.573 5.002 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccnc4s3)CC2)c1 1828134654 VGHFUEAVOOTWMR-YADARESESA-N 486.641 5.470 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2OC(F)F)CC1 1828829707 MIPRPVCYMQQEKB-RBBKRZOGSA-N 460.565 5.290 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829140263 XCKQJQSJTYWCKJ-ICSRJNTNSA-N 451.533 5.035 30 20 JKED C#CCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2Cl)CC1 1829647229 IOFUPJWXXOUCER-SFHVURJKSA-N 472.910 5.145 30 20 JKED Cc1c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cccc1C(F)(F)F 1829957207 DMOSFHCVLFKCNG-XMMPIXPASA-N 483.534 5.433 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830053477 QZQFKUBHEVSDOP-VWLOTQADSA-N 497.561 5.443 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1830397122 HAFPHWYSBYGHCN-RBZQAINGSA-N 489.701 5.068 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(Cl)c3)CC2)C1 1830472074 OOEQARPYLDOMCA-HSZRJFAPSA-N 459.030 5.327 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)(C)C)cc2)CC1 1830596388 BXXOERWLPIGLLA-XZOQPEGZSA-N 460.684 5.052 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3cnc4ccccc4c3)CC2)cc1 1830627653 HMUCVKZBFLWJDD-GDLZYMKVSA-N 494.639 5.167 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1ccccc1 1830724731 VQABQAOYKXONLF-DFBJGRDBSA-N 464.009 5.249 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C)oc3C(F)(F)F)CC2)c1 1830767841 QZTKYDNZAWMSMU-JOCHJYFZSA-N 487.522 5.334 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830828186 QBNMSFGLUHWNHB-GJZUVCINSA-N 480.052 5.890 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831239007 LECXTAAWWCJIIY-DEOSSOPVSA-N 495.491 5.529 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(NC(=O)CCC)c(C)c2)CC1 1831374846 IQDOUSMZEYUTIC-CPJSRVTESA-N 467.654 5.179 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1831852637 XONKSOKKRRWVPJ-FQEVSTJZSA-N 453.385 5.169 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(C)(C)C(C)(F)F)CC1)c1ccc(O)cc1 1831924938 OISOUAJMLLVYGH-VWNXMTODSA-N 488.619 5.190 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1 1832033766 CAJFTJORFFKGNX-ISKFKSNPSA-N 455.042 5.183 30 20 JKED CCn1nc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)c2ccccc21 1832631958 YWNOWRVREQMMDM-QFQXNSOFSA-N 497.643 5.230 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CC2)CCC1 1832785544 DFSUEGZYXJKLAS-SANMLTNESA-N 495.627 5.157 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)CC1 1838223885 WSIRDIDOVSKCIQ-KRWDZBQOSA-N 475.054 5.379 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)CC1 1838373486 QNDHIHVDDHMOKT-HXUWFJFHSA-N 496.545 5.225 30 20 JKED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)CC1 1838520328 ZOJXLYMJICNUDV-QHCPKHFHSA-N 499.655 5.431 30 20 JKED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(CCCCC)cc3)CC2)CC1 1838779664 PUDZJTURMKPDRO-UHFFFAOYSA-N 480.693 5.154 30 20 JKED Cc1c(Cl)ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)C2)c1Cl 1846880779 QKNHEGANZYAFJD-UHFFFAOYSA-N 486.399 5.092 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 9837180 NJLMOYKXAMRUIW-UHFFFAOYSA-N 489.915 5.344 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 10831516 OITVGHLMWOMPHX-UHFFFAOYSA-O 486.060 6.832 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)Nc1ccc(Cl)cc1Cl 10836619 RYIBYYKRDZMWCD-UHFFFAOYSA-O 466.360 6.172 30 20 JKED O=C(/C(=C(\S)Nc1ccc(Cl)c(Cl)c1)[n+]1cccc(O)c1)c1ccc(Br)cc1 11158436 HXNHMMIONNWICF-UHFFFAOYSA-O 497.221 5.800 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2cccc(C)c2)c1C 11264068 BKGHCWAVZPZEHN-UHFFFAOYSA-O 464.611 5.188 30 20 JKED C=CCn1c(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)nnc1-c1ccccc1OC 21179110 PTWJUOCSVJPMJR-HUUCEWRRSA-N 493.658 5.416 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccccc2)c1 22465348 YZFUZQKNHJYEMT-OAQYLSRUSA-N 454.526 5.027 30 20 JKED Cc1cccc(-c2nnc([C@H](C)OC(=O)[C@@H](C)Sc3cc(C)c(C#N)c4nc5ccccc5n34)o2)c1 26467775 QKPXDBPWHXCARJ-ZWKOTPCHSA-N 497.580 5.811 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OC(C)C)c1 31776112 ZHHMDUGPMPBBBS-UHFFFAOYSA-N 485.005 5.761 30 20 JKED CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 32290380 GSVAIRGUPZUKJF-UHFFFAOYSA-N 467.550 5.728 30 20 JKED Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Br)c1 60127440 CETWBJYIHBSYQG-INIZCTEOSA-N 450.336 5.861 30 20 JKED COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)ccc1OCC(=O)Nc1ccccc1Cl 72047943 JDJBLBVDHWSJEM-CSKARUKUSA-N 453.926 5.040 30 20 JKED O=C(Nc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1)c1ccccc1F 107864235 FGVKPARFXWMCGX-OLZOCXBDSA-N 476.392 6.404 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1-c1ccncc1 301142037 FDRPXXRWOGIFEG-NRFANRHFSA-N 495.530 6.017 30 20 JKED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 303291494 MNAZLRPURBLZIP-QFIPXVFZSA-N 493.009 5.927 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3nn(-c4ccccc4)c4c3CCC4)cc2F)c1 481569828 HKKBBQPOYHMLPR-UHFFFAOYSA-N 481.531 5.272 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 486539428 XJXTWXBIPAHBMD-UHFFFAOYSA-N 457.386 5.341 30 20 JKED N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1 487836393 MYGCIXWZFVBZSB-UHFFFAOYSA-N 490.279 5.713 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N2CCSCC2)cc1C 502620478 HRDBUIYSUKUGRH-UHFFFAOYSA-N 478.431 5.670 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O 502630540 ATRWQVCBXKVZGY-UHFFFAOYSA-N 460.347 5.107 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 502978206 AILKGWSHYKNJDZ-SFHVURJKSA-N 463.759 5.115 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N[C@@H](C)c1cccc2ccccc12 503674578 FPIDZHIHYIZUQI-SFHVURJKSA-N 493.032 5.819 30 20 JKED N#C[C@@H](C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)c1nc2ccccc2o1 507008190 RWKSAHKVXVRIHI-IBGZPJMESA-N 485.565 5.438 30 20 JKED COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 509547418 YNTXBWALQAJZFW-AWEZNQCLSA-N 453.486 5.121 30 20 JKED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(-c2ccccc2F)s1)C(C)C 513137212 ICWZETNXOMYTKL-UHFFFAOYSA-N 451.567 5.513 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3N3CCOCC3)cc2Cl)cc1 513864208 RBFHXTYRAQTHJU-UHFFFAOYSA-N 462.937 5.162 30 20 JKED COc1ccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)n2CC(C)C)cc1 513911123 LCIOIEVVZCJQEL-UHFFFAOYSA-N 473.602 5.453 30 20 JKED N#C[C@@H](C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)c1nnc2n1CCCCC2 515596977 YBQSPSCOQVNJGK-SFHVURJKSA-N 471.413 6.094 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3[nH]c4ccc(Br)cc4c3Cl)c2)c1 516528373 VRWYJIYCXXYEIM-UHFFFAOYSA-N 493.748 5.960 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)O[C@@H](C)C2 517388927 MARGTWBRQSJZPS-KIVTUJJHSA-N 484.600 5.089 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 517473133 JQQHIMGOTPIJBF-SJLPKXTDSA-N 465.554 5.539 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 517525965 ZFVAKLDNKWAOCY-QGZVFWFLSA-N 489.563 5.666 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cn(Cc4ccccc4)c4ccccc34)n2)cc1 517800899 NUZZXSIGVLMZDO-QHCPKHFHSA-N 458.546 6.175 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)n1 518662455 GOSZCXMLVLPDHA-CYBMUJFWSA-N 451.356 5.845 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)o1 518870962 NXOFCPSVYWMQGQ-INIZCTEOSA-N 461.449 5.622 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 520008086 VCEMDWCDCMTWBX-UHFFFAOYSA-N 468.351 5.249 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 520928193 MAGJCKRWNIIVCN-MRXNPFEDSA-N 469.563 5.273 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 521327123 SJRQPCOSLCVPGH-OAHLLOKOSA-N 467.934 6.687 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccnc(Oc4ccc(F)cc4)c3)s2)cc1 522230481 DCIXJESXADUGPK-UHFFFAOYSA-N 459.506 5.254 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc(-c2c(F)cccc2F)cs1 522474369 SOWGDQYFTKAUOO-JTQLQIEISA-N 459.449 5.980 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1 523952979 XFCUMVLSJNHARJ-UHFFFAOYSA-N 471.492 5.107 30 20 JKED C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1cccc(NC(=O)c2ccccc2)c1 524382515 GHIUROFPHCPLNY-LJQANCHMSA-N 465.509 5.474 30 20 JKED CCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524428758 YEHQCFQXKIXMQL-UHFFFAOYSA-N 482.367 5.431 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2F)c1 524459103 WIGULAOQZYDQGP-UHFFFAOYSA-N 499.399 5.267 30 20 JKED CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 551602883 PBLCHIARRLZGTJ-RDPSFJRHSA-N 485.975 5.324 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)NC1(C#N)CCCCC1 591602985 RTQMLMQUZOFHOV-OAHLLOKOSA-N 452.605 5.028 30 20 JKED Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c12 602227062 FZRWNOFTRFCYBJ-UHFFFAOYSA-N 469.501 5.509 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 603568258 VUOBLGJFUUAXJI-UHFFFAOYSA-N 490.567 5.305 30 20 JKED C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1nc2ccccc2n1C(F)F 603660524 UOLHFOKAXBNQLY-NSHDSACASA-N 453.371 5.127 30 20 JKED Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)cs1 603718739 TUYGZWUTBFSGGX-SFHVURJKSA-N 496.592 5.385 30 20 JKED COc1cc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1OC(F)F 603839138 WIHCKTJQYAOEGM-GOSISDBHSA-N 457.864 6.249 30 20 JKED O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604258323 YNDIGKQVFQPXFK-GHMZBOCLSA-N 481.315 5.005 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 604449194 AIGKTZNUANKAOC-UHFFFAOYSA-N 487.903 6.070 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1Cl 609046615 GYLXSHHMNZTIKC-FQEVSTJZSA-N 494.929 5.264 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 609078683 HSOVUMXQURRAAV-OAQYLSRUSA-N 476.527 5.372 30 20 JKED Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nnn1-c1cccc(Cl)c1 609104674 LFUDHRHNNAADRI-UHFFFAOYSA-N 461.884 5.071 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3N(C)C(=O)c3cccs3)n2)cc1 613318182 ONEKJWJIOQHNGR-IBGZPJMESA-N 457.580 5.947 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccccc1OC 613932454 NIGKCHIQIXGDSW-MRXNPFEDSA-N 456.999 5.105 30 20 JKED Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2)cs1 642282268 ZBPKEJMUYVQQAL-KRWDZBQOSA-N 473.501 6.149 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 726321595 JFWULZMYBZUPGV-SFHVURJKSA-N 487.412 6.067 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC[C@@H](C)OC)c1 726395820 BRNUZJILVJLMIW-QVKFZJNVSA-N 490.025 5.042 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3ccccc3)C2=O)cc1 726422268 WARSLCZMZHBCDL-UYFFJMHYSA-N 491.638 5.541 30 20 JKED Cc1ccc(NC(=S)Nc2ccc(C#N)c(Cl)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 726436337 OIMIHIUXEGHRGB-UHFFFAOYSA-N 491.425 5.783 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C/c2ccc(Br)cc2)cc1 727354250 FJZVGGZMRCRSJE-FRFYRWIFSA-N 453.361 5.517 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1 727623432 HUIPELQBDUZWCT-JOCHJYFZSA-N 463.459 5.105 30 20 JKED Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(C)n1-c1ccc(C#N)cc1 728272784 HIOWNCQRFDNKIR-NRFANRHFSA-N 469.520 5.175 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1cccc(C(F)(F)F)c1 728421496 WCOQASZFBMVUTR-HXUWFJFHSA-N 489.519 5.088 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c(Cl)c1 728780176 OTVKENLDIULVOX-HXUWFJFHSA-N 487.000 5.750 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)c(F)c2)cc1 729177208 VGRBDQUFCZTBST-SFHVURJKSA-N 456.258 5.338 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)[n+]2ccc(C)cc2)c1 730440257 OGCPLYIFBMYIOR-UHFFFAOYSA-O 477.609 6.166 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)O[C@@H](C)C2 730473135 FICAVXGSARILNV-PZFUZCGMSA-N 452.554 5.806 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(CC)c2)N(C[C@@H]2CCCO2)C1=O 730536343 HZIVEIXEEBFKSK-XUZZJYLKSA-N 495.645 5.177 30 20 JKED N#C[C@@H](C(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1)c1nc2ccccc2o1 730689700 JXGUHRTZFUSVGO-KSFYIVLOSA-N 465.278 5.726 30 20 JKED Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)COC(=O)c4ccc(C#N)cn4)c3C#N)C(C)(C)C2)o1 730895068 DSVJHECWWHLQNT-VMPITWQZSA-N 498.564 5.361 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CSc1ccc2c3c(cccc13)CC2 731066115 RPGSSFVBVVLUSL-QGZVFWFLSA-N 476.623 5.464 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C\c1ccc2ccc(Cl)cc2n1 731068867 DBVJFTALTVQOPE-BLIJAFNYSA-N 465.962 5.335 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1 731074516 SJAZXFRIPBRHMR-GOSISDBHSA-N 485.569 5.057 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccc(Cl)c2)C1=O)Nc1cccc(O)c1 731307858 VRBRWXPMUJHSJJ-NRFANRHFSA-N 483.952 5.345 30 20 JKED CCCCCCCC/N=C1/NC(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)S1 733780750 WTBHUYJTHUUJPB-DEDYPNTBSA-N 492.617 6.026 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CCc1nccs1 747601051 CTONHADGWLEDQZ-QFIPXVFZSA-N 492.670 5.525 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(Cc2cscn2)C1=O)NCc1ccccc1 747603768 XKLDRZNEVGWOKG-HSZRJFAPSA-N 486.622 5.135 30 20 JKED CSc1ccc2cc(COC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c(Cl)nc2c1 748409463 JJFASXHZWYWCFF-UHFFFAOYSA-N 474.991 5.045 30 20 JKED CC[C@@H](C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)C)C=C1)[n+]1ccc(C(C)(C)C)cc1 749891553 SZOGHMLRXMFZLI-GOSISDBHSA-O 454.660 5.277 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(CC(F)(F)F)C2=O)cc1 799210105 NPHRWRHYLGOMQT-SFHVURJKSA-N 477.508 5.029 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC(F)(F)F)cc1 799221195 IIJBEBVRLHZICU-KRWDZBQOSA-N 485.915 5.261 30 20 JKED C[C@@H]1CN(Cc2csc(NC(=O)c3ccccc3Sc3ccccc3C#N)n2)C[C@@H](C)O1 833079666 WFRIVSLMFOYAQJ-IAGOWNOFSA-N 464.616 5.027 30 20 JKED CC(C)Cn1cc([C@@H]2N(Cc3cccc(OCc4cccc(C#N)c4)c3)CC23CCOCC3)cn1 849479159 NTCVFQBCGFYXGE-NDEPHWFRSA-N 470.617 5.343 30 20 JKED Cc1ncsc1-c1ccc(CNc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)cc1 864000883 HZMJJIHILIMDOY-SLEBQGDGSA-N 468.648 5.324 30 20 JKED Cc1ncsc1-c1ccc(CNc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)cc1 864000884 HZMJJIHILIMDOY-VYIQYICTSA-N 468.648 5.324 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)C2CC2)ccc1Cl 875157518 JGOSSWTWAZKQMM-HNNXBMFYSA-N 467.418 5.245 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(-c2nc(-c3ccncc3)no2)c1 904578191 BSZQMVDYTGHDGC-UHFFFAOYSA-N 486.475 5.199 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)cc1 914547349 NFWRUWZCJNDJKW-CYFREDJKSA-N 472.614 5.043 30 20 JKED CCn1cc(C(=O)O[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)c(=O)c2cc(Cl)ccc21 914983658 XKTFVDFZFSFDPC-GCMSVZMUSA-N 478.976 5.101 30 20 JKED N#C[C@@H](C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1nc2cc(C(F)(F)F)ccc2s1 915104922 XHLMQGDDYDELTB-INIZCTEOSA-N 493.457 5.322 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2-n2cccn2)c1 915861073 QUBQNZZQYDWWHV-UHFFFAOYSA-N 492.988 5.159 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(OC)c1 916207348 WNSHDWNZHCYDTA-QGZVFWFLSA-N 464.374 5.148 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C[C@@H]2CCCO2)cc1 916211526 DCIAUSYVPUCDPF-QFBILLFUSA-N 492.428 5.441 30 20 JKED CCOc1cc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)ccc1OC(F)F 916333390 KTOGMJUJCRVAMD-UHFFFAOYSA-N 459.305 5.423 30 20 JKED N#C[C@@H](C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)c1nc2ccccc2s1 916847377 DSTRNFNVJRNRKG-AVRDEDQJSA-N 463.356 6.055 30 20 JKED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Oc1ccccc1 916905062 LRSLTRHBKARZIT-UKILVPOCSA-N 465.509 5.090 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 916908187 LZZGJNKHDFJNHU-AREMUKBSSA-N 487.515 5.891 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 916919605 YJQXCMQKZUDODP-AHWVRZQESA-N 460.489 5.255 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc1OC 916935602 TWMVMQBNHFRFIJ-QFIPXVFZSA-N 485.515 5.271 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 916938043 IKUNBRVMBZSQOE-IBGZPJMESA-N 485.298 5.090 30 20 JKED C=CCn1c(SC[C@@H](O)c2cc(OC)ccc2OC)nc2scc(-c3ccccc3)c2c1=O 916982140 UOCKQAQZOBKKRL-HXUWFJFHSA-N 480.611 5.154 30 20 JKED CSc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)CC2=O)cc1 917043232 JBAXKDOULVYDBG-BLLLJJGKSA-N 475.517 5.266 30 20 JKED N#C[C@H](C(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1nc2cc(Cl)ccc2s1 917045317 XTJNWKWHPHSDSP-OAHLLOKOSA-N 452.948 5.077 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(C)n2)c1 917671092 KQUXOHKMJWISBM-QHCPKHFHSA-N 476.577 5.306 30 20 JKED N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3cc(C(=O)O)c(Cl)cc3Cl)c2)cc1 917749164 IZJOYMIWLZQEBY-UHFFFAOYSA-N 491.352 5.137 30 20 JKED CC(C)Sc1ccccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918163236 LNZPLOQZRRIKOP-LVWGJNHUSA-N 459.637 5.032 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1OC 918262682 BHUAQSXALDUJOI-FYYLOGMGSA-N 461.949 5.210 30 20 JKED N#Cc1ccccc1-c1ccc(COC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 919630799 AZMKQFFNCWKPCT-UHFFFAOYSA-N 464.974 5.536 30 20 JKED C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)c1 919838042 XITLRYCKMIJVPX-UHFFFAOYSA-N 474.941 5.121 30 20 JKED N#CCOc1ccccc1C(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 919991939 NVJYQXFZVGOPER-GOSISDBHSA-N 487.503 5.557 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920109276 NOLZZUGCJJFDMB-LJQANCHMSA-N 491.334 5.933 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1csc(-c2ccc(Cl)s2)n1 920109349 DJPKNBHITTURJJ-SECBINFHSA-N 456.763 5.793 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)n2)cc1 920140795 JQFHRMSOLQZEFK-XMMPIXPASA-N 490.563 6.778 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 920174510 BXNZTIHCKLVQTI-OSPHWJPCSA-N 488.588 5.431 30 20 JKED CCOC(=O)c1csc([C@@H](C#N)C(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)n1 920327723 NOUFYBWIWWLOFS-FQEVSTJZSA-N 473.554 5.286 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1F 920870538 TUPPBGPZKYXUBZ-IFXJQAMLSA-N 497.514 5.087 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=S)Nc2ccc(SC(F)F)cc2)cc1 920994889 ZODLLIQXFNIQQD-UHFFFAOYSA-N 457.546 6.411 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4cc(Br)ccc4c3)C2)C1 1778396148 ILBBVKZZUVIOCU-SANMLTNESA-N 499.449 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3-c3ccc(C)cc3)C2)C1 1781867679 PRQNFEYBCXXHRC-GDLZYMKVSA-N 460.618 5.098 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)C3=CCN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1786283288 VPIPEIBRTOASMX-UHFFFAOYSA-N 479.621 5.066 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)s1 1787059531 CAMMUDRHMCIYDJ-KRWDZBQOSA-N 459.571 5.445 30 20 JKED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCC3CCCC3)cc2)CCC1 1787619002 LPUALDNTLAQWMT-HSZRJFAPSA-N 481.637 5.008 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CC5(CCC5)C4)CCC3)cc2)c(C(F)(F)F)n1 1788359134 WSUZFHVJAYRQAO-UHFFFAOYSA-N 482.506 5.300 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CCC[C@H]3C)cc2)CCC1)NC(=O)OC(C)(C)C 1789211678 IQRASIVHVKJEHQ-PTUXOGIPSA-N 483.653 5.416 30 20 JKED CC(C)(C)OC(=O)N1CCc2sc(C(=O)Nc3ccc(C4(NC(=O)CCC#N)CCC4)cc3)cc21 1789220258 NAXJSAKHYCVVOA-UHFFFAOYSA-N 494.617 5.097 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1789449166 OPISBBKAIQHKLH-OYYPCOLYSA-N 493.648 5.287 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(Cl)cncc4s3)CCC2)cc1 1789492719 ISKQUUILLJHQBE-OAQYLSRUSA-N 484.021 5.271 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]5CC[C@@H]4N(C(=O)OC(C)(C)C)C5)cc3)CCC2)C1 1790418937 NHRDFFCDXCCPGI-FOVJLYNBSA-N 493.648 5.122 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)C3(Br)CC3)cc2)CCC1 1790543565 SGXIYMGCDZNMEN-UHFFFAOYSA-N 475.503 5.099 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](C)ON=C(C)C)CCC3)cc2)cc1OCC1CC1 1790740135 LBNXQDPRHDDZCN-IBGZPJMESA-N 493.604 5.033 30 20 JKED Cc1nc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)cs1 1790745759 ZSBFYIDJTCKXMP-UHFFFAOYSA-N 495.402 5.147 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@H](C)CN(CC)CC)cc2)CCC1)c1ccc(O)cc1 1791071295 VRRLKLICZMWSEB-VWNXMTODSA-N 489.660 5.001 30 20 JKED CC(C)(C)CC(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)S)cc2)CCC1 1791521681 KCHAPJPYPJNNEY-HXUWFJFHSA-N 491.698 5.158 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OCCCC(F)(F)F)cc3)CCC2)cc1 1791579031 PFFLPEQPIUNTLP-INIZCTEOSA-N 480.552 5.474 30 20 JKED Cc1ncc(/C=C/C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)s1 1791959005 CKSSTXAMQCFDKC-ZHACJKMWSA-N 476.989 5.438 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(F)ccc(Cl)c3F)cc2)CCC1 1792160381 XYZLJYDMVVEDJQ-AWEZNQCLSA-N 463.912 5.167 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)C34CCC(NC(=O)OC(C)(C)C)(CC3)CC4)CCC2)cc1 1792263919 JMDYCALHTAQPGN-UHFFFAOYSA-N 493.648 5.152 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2ccccc2)C3)c1Cl 1799303159 GHIVZNKLAPLEJY-WKCHPHFGSA-N 485.971 5.570 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1Cl)C2 1800791047 HRHHUXZJXIBMFP-MUJYYYPQSA-N 476.791 5.393 30 20 JKED C=CC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3)c1C(F)(F)F)C2 1801637382 DEKYHGIWABMZGL-NRSFXHEJSA-N 494.945 5.009 30 20 JKED C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCN(C(=O)c2cccc([C@H](C)C#N)c2)[C@@H]1c1cccnc1 1802441219 MPLIBVVREYMISJ-FBCBBRDZSA-N 484.625 5.193 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)c(F)c(OCC)c3F)CC2)C1 1804866933 ZJMHMFNDVXMHIO-UHFFFAOYSA-N 480.571 5.340 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cn(C(C)C)cc3C(F)(F)F)CC2)C1 1805454901 KLXILJCPXZEBFS-UHFFFAOYSA-N 479.587 5.701 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)CC1 1809632862 ZZONEWDZSBBFQF-RNXOBYDBSA-N 477.693 5.588 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1810174549 ZWTMDITVHIWVSL-YPCDYVTLSA-N 491.035 5.613 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1 1810500248 NRJIQXVHNZJXMA-CTNGQTDRSA-N 451.592 5.201 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1c1cccnc1 1810504227 XVOCRDQTJDASNY-AVRDEDQJSA-N 491.529 5.552 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cc3ccc(F)cc3)cc2)[C@@H]1c1cccnc1 1810511053 VHEGUHUZCFZGRS-OFSOJUDTSA-N 497.614 5.325 30 20 JKED Cc1c(C(=O)N2CCCC3(CCN(C(=O)c4cccc(C#N)c4)CC3)C2)[nH]c2c(Cl)cccc12 1810728137 HLMJHAOJVZGTIG-UHFFFAOYSA-N 474.992 5.160 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2c2cccnc2)s1 1811361488 YHMPNMPFWVQDIL-RCZVLFRGSA-N 486.641 5.140 30 20 JKED N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)/C=C/C3CCCC3)[C@H]2c2cccnc2)cc(C(F)(F)F)c1 1811872348 CSKHKEMSCUDQQC-KDRQCPBVSA-N 496.533 5.038 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3ccc(C)cc3s2)[C@H]1c1cccnc1 1812219455 YEEHCWDWQFVJBZ-ZEQKJWHPSA-N 473.642 5.693 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1812592175 QPIJHWGPWXGIMI-XKDCRVNJSA-N 451.954 5.013 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(Cl)ccc3c2OCO3)[nH]n1 1814443152 NXWZLSBNEPIYLY-KRWDZBQOSA-N 472.973 5.090 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4cccc(C#N)c4)n[nH]3)cc2s1 1814739234 PQJMQTXTEYIMRR-QFIPXVFZSA-N 486.601 5.071 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)[nH]n1 1815216816 NLEYKFORCGLWHJ-CYFREDJKSA-N 474.561 5.099 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[nH]n1 1815219556 OQXRVZQQBOBTCR-YVEFUNNKSA-N 485.799 5.267 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(F)(F)F)n[nH]1 1816422397 ZKRZGMVIUMDXRZ-SFHVURJKSA-N 463.504 5.122 30 20 JKED Cc1nc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)ccc2s1 1818702406 AVQAQXBNPTVFIR-HJPURHCSSA-N 498.612 5.575 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3sccc3Cl)n[nH]2)cc1C#N 1819958981 LKDBFMHCAPUUDT-LJQANCHMSA-N 498.008 5.403 30 20 JKED CCCCCc1cccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)ON=C(C)C)[nH]n2)c1 1820712458 UEGVCAFOVOQYDD-YKSBVNFPSA-N 481.641 5.178 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821026757 IBIQCQGUNBAVRR-UZLBHIALSA-N 458.990 5.368 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)n[nH]2)c1 1821048557 LQFUXHMWCLCWHK-SANMLTNESA-N 491.551 5.693 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(F)c(Cl)c3)n[nH]2)cc1 1821288501 NDBDLSFRICPNMC-LJQANCHMSA-N 486.334 5.347 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)n[nH]1 1821363988 JJESLBOHRJNITC-XDHUDOTRSA-N 494.542 5.252 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)CCCCC)[nH]n1 1822307182 VJJFGSSMBRCQMW-QKNQBKEWSA-N 489.661 5.088 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)cc1 1823211552 NWIUTNZQFIIEBT-XHNVNVPESA-N 485.588 5.155 30 20 JKED Cc1cc(C)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823217494 LDOJNUNKPRXMEO-CYFREDJKSA-N 455.562 5.273 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)[nH]n2)CCC1 1823378518 LOYWTPOLPIBFNY-HNNXBMFYSA-N 497.880 5.221 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824784281 IROKAOZCXNFJSJ-DEOSSOPVSA-N 489.701 5.070 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)n1 1825384693 RUIZHJMMKOKJTL-OAQYLSRUSA-N 485.053 5.339 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ncccc4c3)CC2)c1Cl 1828032281 GDAZIEGXVQYAAK-VWLOTQADSA-N 487.003 5.307 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc4occc4c3)CC2)c1 1828255835 PLTGQQVUTOPJTR-AREMUKBSSA-N 469.585 5.171 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CS[C@H]2CCCCO2)CC1)c1ccccc1 1828959354 BZYVSPTZTOSQBV-REUBFRLUSA-N 496.717 5.063 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cnc(C)s2)CC1)c1ccccc1 1829035358 PWHSBTKNBQZLGZ-FGMCNFBYSA-N 489.685 5.282 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC)c(OC)c2Cl)CC1 1829068261 NFWNUPVEYHWYOP-OAQYLSRUSA-N 491.072 5.583 30 20 JKED Cc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829687709 FGYIAYWNORHBFE-HXUWFJFHSA-N 456.011 5.129 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1829748861 HCPSCRVTICQVGH-AREMUKBSSA-N 460.622 5.078 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)cc1 1830011668 BERKXYQUMKPPGB-QXJBOHEXSA-N 495.545 5.524 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1830013307 XDPWKLJOAVXHFQ-DEOSSOPVSA-N 483.534 5.053 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC2CCC2)CC1 1830357195 QVOJMMNFVMIISV-ZEQRLZLVSA-N 489.701 5.046 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)CC2)c1 1830573264 UKMNTSUDOIQWQY-QHCPKHFHSA-N 467.972 5.206 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)c(Cl)c1 1830722620 NIYONTCCDMTFDX-XMMPIXPASA-N 495.410 5.284 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)c(F)c(Cl)c2)CC1 1830734692 BYVCOWPTWPFSIC-NRFANRHFSA-N 467.412 5.559 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)nc3Cl)CC2)c1 1830770909 LWYFXWQKVDBVJW-NRFANRHFSA-N 485.415 5.116 30 20 JKED CC(C)Oc1c(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC#N)CC2)cc1Cl 1830782713 DBUMMMPQPXHNDQ-NRFANRHFSA-N 480.436 5.318 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(Cl)cc3Cl)CC2)CCC1 1831307072 HNYXPINBTDDVOQ-JOCHJYFZSA-N 476.448 5.240 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1831317647 OVSCVQAJLQXHJA-BWKNWUBXSA-N 487.084 5.220 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1)C(F)(F)F 1831455590 LIQKTBCBKQUXJR-BZSNNMDCSA-N 468.482 5.093 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831686267 ONEZTSNVBMISJZ-ZHSJKAEUSA-N 485.466 5.276 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3occc3c2)CC1)c1ccc(O)cc1 1831924080 AYEBMNZCTQVKDH-RBJSKKJNSA-N 498.623 5.569 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)c(C)n1 1832091162 KLTXDFPRBHEPPI-RUZDIDTESA-N 493.051 5.090 30 20 JKED Cc1cc2cccc(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)c2[nH]1 1832632151 LBIBOJYIBJBSGP-HRFSGMKKSA-N 482.628 5.651 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CC3CCCC3)CC2)cc1C#N 1832702020 YMTBNKLXGNZLHH-RUZDIDTESA-N 465.638 5.159 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 9041612 KPIFPEIDIZEVAL-KRWDZBQOSA-N 461.612 5.281 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)nnc1-c1ccccc1 11056001 DUUKSTDEJJFTOV-IBGZPJMESA-N 491.667 5.724 30 20 JKED CCCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2ccc(Br)cc2c1=O 11521792 UUTLUCDHYQREAI-HNNXBMFYSA-N 499.434 5.340 30 20 JKED N#Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)cc1Cl 15568347 SBFRKHWSFODAHV-UHFFFAOYSA-N 464.305 5.057 30 20 JKED C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 16716210 VYYUDAWWCXEKQS-OAHLLOKOSA-N 480.018 5.699 30 20 JKED O=C(C[C@H]1S/C(=N\c2cccc(Br)c2)NC1=O)Nc1ccc(Cl)c(Cl)c1 16938516 YBTVSBKGRJJDRX-CQSZACIVSA-N 473.179 5.004 30 20 JKED C=CCn1c(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)nnc1-c1ccccc1OC 21179101 PTWJUOCSVJPMJR-LSDHHAIUSA-N 493.658 5.416 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2ccccc2)c1 22465353 YZFUZQKNHJYEMT-NRFANRHFSA-N 454.526 5.027 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)nc2ccccc2c1=O 23348910 CSVUAHBCQCFBFY-RUZDIDTESA-N 473.573 5.062 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nnc1-c1ccc(F)cc1 25047972 VAYHDSKDGRIONQ-UHFFFAOYSA-N 466.538 5.043 30 20 JKED C=CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 25994365 SJOAXQFMBARFBQ-GFCCVEGCSA-N 457.832 5.116 30 20 JKED C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccccc1 36802152 VRHMZJGRUBVCOE-LJQANCHMSA-N 473.627 5.482 30 20 JKED CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 104889365 HNCHXXVOLMMCHA-UHFFFAOYSA-N 465.937 5.279 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 106115912 MPRPZIYWYHFGIQ-UHFFFAOYSA-N 461.481 5.818 30 20 JKED N#Cc1c(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)sc2c1CCCCC2 195533079 XEKKGKNJFOZBMR-UHFFFAOYSA-N 489.420 5.432 30 20 JKED Cc1cccc(-n2c(SCCC(=O)Nc3ccccc3C#N)nnc2-c2c[nH]c3ccccc23)c1 248129471 WJOJAVVHIPCYBM-UHFFFAOYSA-N 478.581 5.717 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc3ncccc3C#N)cc1C)O[C@H](C)C2 409793294 KZRJUCPWAGDQLQ-FRGLQRNOSA-N 469.541 5.518 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3)C2)c1 476141945 HJBBXIFBSMSJFH-QFIPXVFZSA-N 481.017 5.351 30 20 JKED Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C 481947180 RLLHYBIYCABDKK-AREMUKBSSA-N 483.568 5.227 30 20 JKED N#Cc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 482055774 WGQDRIPMCCAVRB-QFIPXVFZSA-N 466.488 5.451 30 20 JKED N#CCN(C(=O)c1ccc(Oc2ccc(C(=O)N(CC#N)c3ccccc3)cc2)cc1)c1ccccc1 495504613 WBJNGPHXNTUPKU-UHFFFAOYSA-N 486.531 5.820 30 20 JKED CC(C)c1nc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)nn1-c1ccccc1Cl 499183574 BUFQAXRUYZDFDK-AWEZNQCLSA-N 492.992 5.123 30 20 JKED CC(C)c1c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cnn1-c1cccc(Cl)c1 501692100 BYYJEKNIVBKJNR-UHFFFAOYSA-N 475.980 5.012 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCc1nc(-c2ccc(OC)cc2)no1 501762099 HIZJTZFCDLGYGB-UHFFFAOYSA-N 488.357 5.184 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1ccoc1C 503247262 KTHWKWCFVLTFKK-INIZCTEOSA-N 493.614 5.466 30 20 JKED C[C@@H](Cc1ccccc1F)NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 503315220 MLVGVAJFMGCVDI-JTQLQIEISA-N 494.798 5.458 30 20 JKED Cc1nc(SCC(=O)Nc2cc(Br)ccc2Br)c(C#N)c(C)c1C 505958643 KNVQNSMMAOFSRH-UHFFFAOYSA-N 469.202 5.134 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 506495191 KUICZAGLQKRWCY-RUZDIDTESA-N 473.598 5.130 30 20 JKED CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)c2C#N)C1 506604445 WIBQMKMPCSVDRC-MRXNPFEDSA-N 451.592 5.137 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1OC 508104047 PUQABWGFHHDQEE-XMMPIXPASA-N 492.417 5.788 30 20 JKED C=CCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)c1nc(C(=O)OCC)cs1 508603470 JLTJDOMZKCHEDK-UHFFFAOYSA-N 467.494 5.295 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2CN2CCSCC2)cc1 513862973 BRNKOXPDSFVSIH-UHFFFAOYSA-N 474.605 5.480 30 20 JKED C[C@H](c1ccccc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccccc1 515487643 OUFFBCYEVIAUCU-QGZVFWFLSA-N 473.989 5.810 30 20 JKED CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccsc1 515893276 UMTHZSQEXFDBHS-VWNXMTODSA-N 495.048 5.195 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1nc(-c2ccncc2)cs1 516331523 ZBPAZWQFYROBKP-INIZCTEOSA-N 493.342 5.303 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 517467158 NRBAKQJFTBVASW-NRFANRHFSA-N 493.526 5.836 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 518653151 ULFNSPOBXMHHDA-QGZVFWFLSA-N 475.599 5.652 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnn1-c1ccc(-c2ccccc2)cc1 518720813 BJBDZJCZKQJHNL-XMMPIXPASA-N 486.560 5.728 30 20 JKED COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 518882429 DEIPMYIIJAJYJA-NDEPHWFRSA-N 485.584 5.553 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 520132383 JDBFMJOPHRKCNN-UHFFFAOYSA-N 473.533 5.445 30 20 JKED COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 520929423 ZDGJERMJBJOAQU-QGZVFWFLSA-N 481.599 5.143 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 521461821 LABFBLVLOBNLNY-UHFFFAOYSA-N 471.601 5.482 30 20 JKED Cc1csc(Sc2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2[N+](=O)[O-])n1 521799617 CEPRJCCIHDGSKZ-CQSZACIVSA-N 470.601 6.158 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccn(-c3ccccc3)n2)cc1Cl 523699505 CDSURQPKDNWGIM-XMMPIXPASA-N 455.949 5.545 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(Cc1ccccc1)CC1CCC1 524563265 IALSYTYIDOGBLR-UHFFFAOYSA-N 475.536 5.479 30 20 JKED CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1SC[C@@H](C)C#N 553319630 UTFIGGHUKVPHCM-AZIODVPDSA-N 453.652 5.234 30 20 JKED C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 590979348 PHHMHQDLLYXHEB-RDBSUJKOSA-N 487.435 5.263 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3nn(-c4ccccc4F)c4c3CCC4)c2)c1 603893608 PRQKWUQQQBYPHX-UHFFFAOYSA-N 452.489 5.203 30 20 JKED N#Cc1cc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1OCC(F)(F)F 603897934 QJPWPFHQUNMXEU-UHFFFAOYSA-N 457.383 5.143 30 20 JKED COc1ccc(NC(=O)[C@@H](Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc2)cc1 604045942 LCZZCNARFXLVRB-LJAQVGFWSA-N 477.564 6.132 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 608788747 VBVJPGSQKPMGKY-UHFFFAOYSA-N 498.627 6.658 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(C(F)(F)F)c1 608865880 ZIAVNQRXUYYROL-QFIPXVFZSA-N 496.489 5.606 30 20 JKED Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ccc(COc2ccccc2C#N)o1 608871538 FQCUBCYDWVQXQM-AREMUKBSSA-N 491.547 5.639 30 20 JKED COc1cc(Br)c(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 608898588 NYIOXVHKGSTMCL-UHFFFAOYSA-N 483.387 5.419 30 20 JKED N#Cc1ccc(S(=O)(=O)Nc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3s2)cc1 608928759 BUTUFQPFPPICQQ-UHFFFAOYSA-N 466.491 5.111 30 20 JKED C=CCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 609434151 YFDCAXWFPZTYPT-CLOONOSVSA-N 497.990 5.752 30 20 JKED COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N 609437013 KNGPDUOXNXUEGA-BEFAXECRSA-N 474.424 6.221 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 613317979 BIMPRONPEXJHOM-KRWDZBQOSA-N 452.461 5.813 30 20 JKED N#C[C@@H](C(=O)c1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 613346446 JWCNHCCJHBFOQB-KRWDZBQOSA-N 456.354 5.955 30 20 JKED Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc12 613392498 QEHKZMLMNAKMDV-LJQANCHMSA-N 458.543 6.148 30 20 JKED CCOc1ccc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 620289300 NJSMDOJUHQHBRD-URLYPYJESA-N 466.344 6.135 30 20 JKED O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 641913828 NJGQOHPNDATKFX-UHFFFAOYSA-N 496.180 6.064 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\CCc1ccccn1 726113594 ZEGGDLFIZGKFKG-ZZNYDNHMSA-N 479.433 5.060 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2CCCC(C)C)cn1 726117145 SEVHBKUPJHFVNS-SFHVURJKSA-N 496.464 5.606 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 726398663 LUJQKCQAQIRGTD-DNVCBOLYSA-N 494.444 5.687 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccsc2)cc1Cl 726408277 DOIVAXWZYIRANS-HXUWFJFHSA-N 498.992 5.573 30 20 JKED CC[C@H](CCNC(=S)Nc1ccc(C#N)c(Cl)c1)NC(=S)Nc1ccc(C#N)c(Cl)c1 726435964 IZTPRTQGEBAYCQ-OAHLLOKOSA-N 491.473 5.178 30 20 JKED Cc1ccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2ccc(Cc3ccccc3)cc2)cc1C 726572467 WBQHYDUTMIIVRQ-UHFFFAOYSA-O 494.640 5.688 30 20 JKED Cc1ccsc1-c1nnc(NC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)o1 727501721 DTJAEXSRVMMCIZ-UHFFFAOYSA-N 490.566 5.066 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 727534320 RUQIZOPCIWJISY-HXUWFJFHSA-N 490.629 5.008 30 20 JKED N#C[C@@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccccn1 728147833 PAECUIUIFNCYCX-QFIPXVFZSA-N 456.933 5.018 30 20 JKED N#Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(CCCOC3CCCC3)C2=O)cc1 728421327 SNHOLWUABKLHIK-QHCPKHFHSA-N 494.592 5.007 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 728422812 GXOBNNNHVBVMPK-CYFREDJKSA-N 483.597 5.292 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 728766726 HSJNPMKMNFKIOV-HXUWFJFHSA-N 458.345 5.173 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCCC#N)c1 728778908 VNSYWEKFQUDJRW-XMMPIXPASA-N 470.598 5.802 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCCCC#N)c1 728780163 OOBUIXXDEDVTHO-NRFANRHFSA-N 469.010 5.557 30 20 JKED C#Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)nc1 728806182 RYAGZPKMDURYJM-GOSISDBHSA-N 457.477 5.031 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2ccc(COc3ccccc3Br)cc2)c1OC 729436033 ZHKDAKSBDZBRKP-HXUWFJFHSA-N 481.346 5.040 30 20 JKED C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)N1CCC[C@H]1c1cccs1 730605595 GKKTYYQVOKXQDJ-KKSFZXQISA-N 464.518 5.460 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O 730719445 FFOKPKPUSPQJKK-OAQYLSRUSA-N 498.992 5.277 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cocn2)cc1 730720004 MTKULJLSBFYJRJ-JOCHJYFZSA-N 462.575 5.014 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)c1 730753411 NUPUZJSWCWERJW-UHFFFAOYSA-N 455.535 5.082 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731077568 LUQJOMXQLJGOMR-LSDHHAIUSA-N 465.402 5.748 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccc3ccccc3n2)C1=O)Nc1cccc(O)c1 731306249 LNODRKOLOFDVLH-RUZDIDTESA-N 496.592 5.143 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)s1 731308128 XGLQNHHDBRYNHE-OAQYLSRUSA-N 465.600 5.177 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 731377691 XACZITKPEXFFPM-UHFFFAOYSA-N 469.522 5.420 30 20 JKED COc1cccc([C@@H]2NC(=O)N(Cc3cccs3)C(c3ccc(C)cc3)=C2C(C)=O)c1OC 732046971 RXSBNIUEVMQQHM-QHCPKHFHSA-N 462.571 5.341 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2sccc2-c2ccc(F)cc2)cc1 744615311 WIPITTZIVBIDQL-UHFFFAOYSA-N 452.507 5.057 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)n1 746234809 SMEZEIJQVGGXFS-UHFFFAOYSA-N 482.660 5.101 30 20 JKED CCc1cccc(CC)c1NC(=O)/C(=C/c1ccc(SC)c(OC)c1)C(=O)c1ccccc1 746341865 JBYHAMXMWRKCEW-HAVVHWLPSA-N 459.611 6.447 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3cc4ccccc4[nH]3)C2=O)cc1 746698094 UKONCFNGJWFMEQ-RUZDIDTESA-N 497.624 5.394 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(CCc3nccs3)C2=O)c1 747602773 NXNTYPVUXRKIEH-HXUWFJFHSA-N 482.606 5.102 30 20 JKED C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN(CC#N)C2CC2)c1=S 747789754 SXBBLBIDIIANDJ-CGBFIWBNSA-N 455.603 5.075 30 20 JKED C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1NC(=O)c1ccccc1 748018547 HGVSPJLIKQRGGW-IBGZPJMESA-N 466.493 5.901 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1ccc(SC(F)F)cc1 749101807 HCJCPNCVSDSXER-UHFFFAOYSA-N 461.372 6.288 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3Br)n2C)cc1 751306586 FEGCKSYQNQRXMU-UHFFFAOYSA-N 453.340 5.014 30 20 JKED CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1SCc1ccc(C#N)cc1 812211393 XMYKEKKTZLWOHL-UHFFFAOYSA-N 451.935 5.684 30 20 JKED Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1OCc1ccccn1 819841632 BJPYHZAXKNDFMM-UHFFFAOYSA-N 451.555 5.167 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1[C@H](C)c1ccccn1 838192117 LROYYGKKBIWTOW-UZUQRXQVSA-N 476.577 5.505 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2cccc(C#N)c2)NC(=O)N1Cc1cccs1 840200099 OKDIRJJCIWLERZ-VWLOTQADSA-N 470.598 5.922 30 20 JKED N#CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)ccc1Cl 849208077 XEBIUJPXLPVABY-UHFFFAOYSA-N 475.353 5.069 30 20 JKED C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 904493161 NJRXCIBBHHVCSQ-FQEVSTJZSA-N 479.968 5.843 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 914501460 JGSIELJREFRCKB-UHFFFAOYSA-N 494.016 5.014 30 20 JKED CC(=NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(NC(=O)NC(C)C)cc1 915048890 WPIDCFZCLRNRFN-UHFFFAOYSA-N 464.591 5.194 30 20 JKED COc1cccc(-n2ccnc2SCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1 915087046 ZRSNKCLUAGYIRR-DEOSSOPVSA-N 454.555 5.267 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2cc(C(F)(F)F)ccc2s1 915104871 VRVARXPBJPFVSR-YOEHRIQHSA-N 491.922 5.697 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC2CCC2)c1 915111497 MQFAWDFQKKEWPQ-NRFANRHFSA-N 485.009 5.059 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2)o1 915116872 RHEAGCMRIOMOGK-NRFANRHFSA-N 469.513 5.069 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 915860125 KKDUSWXQKDOQLU-UHFFFAOYSA-N 492.366 6.166 30 20 JKED COc1cc(/C=C\C(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916153376 OZNVHMHENNKNMW-BENRWUELSA-N 469.459 5.936 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)cc1OC 916204256 BCUKCKPXJGQWRJ-XMMPIXPASA-N 489.597 5.173 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C[C@@H]2CCCO2)c1 916204760 BFOBBFNZBPHAOB-URXFXBBRSA-N 473.598 5.288 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(Cl)cc1 916210984 JEMBWALNFCBJTF-HXUWFJFHSA-N 475.998 5.118 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 916214880 BYZCSQDBGICAKF-SFHVURJKSA-N 480.417 5.299 30 20 JKED CCN(CC)c1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)c(O)c1 916272647 GEMLAFQTKBPSKL-UHFFFAOYSA-N 466.994 5.521 30 20 JKED Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)oc2c1ccc1ccccc12 916883076 GUCPIYQSRFAZDR-LJQANCHMSA-N 450.466 6.170 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3)c12 916884293 WDKFJJJJMYNFBK-SFHVURJKSA-N 451.958 5.233 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 916926138 SSXWLOXBAHJILA-GOSISDBHSA-N 492.988 5.468 30 20 JKED CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 916927018 COIGBQKSHNQWGG-DAYGRLMNSA-N 472.372 5.207 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 916927748 CQJGIABTZXEJKV-GOSISDBHSA-N 467.312 5.599 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 916934888 JICSXEXHJRLQPL-OAQYLSRUSA-N 480.973 5.611 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 916935073 YDPXXVHGMGGYEU-HNNXBMFYSA-N 459.449 5.107 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 916939500 PGRFADMGWFWVCM-OAHLLOKOSA-N 478.332 5.438 30 20 JKED COc1cc(C(C)=O)ccc1OCCCC(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042920 IARSAOCEHQYUFM-MRXNPFEDSA-N 476.476 5.562 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(Oc3ccccc3)c(F)c2)cs1 917560652 UIWRSISMAPWJTD-SDNWHVSQSA-N 472.541 6.964 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(C(F)(F)F)cc2)NC1=O)Nc1cccc(Cl)c1Cl 917634802 AUDUPPAGMLVUFP-ZDUSSCGKSA-N 462.280 5.260 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1C 917675276 VTODQPNNMIILOI-FQEVSTJZSA-N 493.551 5.319 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccc(C)n2)cc1 917684446 FBDXFRJYRVTCQJ-HSZRJFAPSA-N 492.576 5.088 30 20 JKED CCN(C[C@H](C)C#N)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 919883221 AYVPKWVKLZJYNL-GFCCVEGCSA-N 474.797 5.069 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 919904634 QIBVSBZEKBSSTC-VWLOTQADSA-N 472.976 5.375 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C[C@@H]1CCCO[C@@H]1c1ccccc1 920352836 UUYDMNDSTJRYKJ-POGFHVCPSA-N 491.657 5.072 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2ccccc2C(F)(F)F)cs1 920358575 WCSFPBFBYXKLJD-UHFFFAOYSA-N 472.414 6.311 30 20 JKED Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)COc1cccc(C#N)c1 920845378 SRFBCTGSIJCMQJ-UHFFFAOYSA-N 453.420 5.155 30 20 JKED Cc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)cs2)cc1 925941129 QIECWJGWWYUGDD-FQEVSTJZSA-N 461.587 5.156 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)cc1F 1785950890 MZRIRMBSTPBELD-UHFFFAOYSA-N 471.532 5.086 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)COc4ccc(Cl)c(F)c4)cc3)CCC2)cc1 1786327782 VCIKPZVOLAVSMR-UHFFFAOYSA-N 491.950 5.372 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)ncc3Cl)cc2)CCC1 1786980439 HWAACEBBWCZILN-SFHVURJKSA-N 496.858 5.200 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CCC1 1788244293 AFESBEPRTACQQC-IBGZPJMESA-N 460.578 5.036 30 20 JKED Cc1c(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)nc2ccccn12 1788933661 MECQZPNLEPTHEH-IBGZPJMESA-N 477.568 5.331 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cn4ccc(Br)cc4n3)cc2)CCC1 1789220700 KPNOYPDURMICEG-MRXNPFEDSA-N 481.394 5.057 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CCC2)cc1 1789514839 GUOPFUYLUNPRRE-OKCVXOCRSA-N 490.501 5.064 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)CS[C@@H]4CCCCO4)cc3)CCC2)c(Cl)c1 1789552446 XCTMQLRDAGATQA-HSZRJFAPSA-N 484.021 5.219 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Cl)nc4Cl)cc3)CCC2)c1 1789704443 LFDWAXSABZPXEP-UHFFFAOYSA-N 495.366 5.330 30 20 JKED Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C2(NC(=O)C(C)(C)C#N)CCC2)cc1 1789841648 HJGNWNGTIRDUMJ-UHFFFAOYSA-N 475.980 5.038 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3ccccc3)cc2)CCC1 1789932487 RIMVTGCNMVYPBB-UHFFFAOYSA-N 469.585 5.479 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccccc5)n5ccccc45)cc3)CCC2)CC1 1789987588 GMDSOTGMEIRKOU-UHFFFAOYSA-N 474.564 5.658 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)S)CCC3)cc2)ccc1CNC(=O)OC(C)(C)C 1790065535 FOYFPKIYLASEDK-GOSISDBHSA-N 497.661 5.086 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)c4scnc4C(F)(F)F)CCC3)cc2)c1 1790255247 OVNNOIFZBUNASY-UHFFFAOYSA-N 470.476 5.095 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)cc1 1790286896 KPEIGHPOCWZRSS-IZZNHLLZSA-N 465.553 5.118 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)CCSCc3ccc(C)cc3)CCC2)cc1 1790512859 PGMOXUCOLSPIQA-UHFFFAOYSA-N 494.657 5.262 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4cc(O)ccc4O)cc3)CCC2)cc(C(F)(F)F)c1 1790790444 YUNWELBDTOSMTF-UHFFFAOYSA-N 495.457 5.050 30 20 JKED N#Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)cc1 1790929992 NLQFHNMWHHKZCK-UHFFFAOYSA-N 479.536 5.391 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CCC2)cc1 1791296376 SBUCVCDQKKLJQD-VQTJNVASSA-N 491.579 5.025 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(C(F)(F)F)ccn34)CCC2)cc1 1791300392 NZTRGWCKIUUILJ-UHFFFAOYSA-N 492.448 5.312 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)c3cnc4ccc(C(F)(F)F)cn34)CCC2)cc1)C(F)(F)F 1791303145 MWZDLXSOTINOOK-UHFFFAOYSA-N 496.411 5.219 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)CCc3ccc(OC)cc3F)CCC2)cc1 1791729085 SLGPTDZKTBQCTG-UHFFFAOYSA-N 450.554 5.095 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncoc5c4)CCC3)cc2)c1 1792123881 SMULYHFZONCESK-SFHVURJKSA-N 464.525 5.516 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Cl)c4c(nc3c1)CCCC4)C2 1793576300 PGVMNZHTJHMUSA-WKCHPHFGSA-N 496.051 5.002 30 20 JKED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1794071796 YHZMRVVRSACMLX-KOUNCHBCSA-N 471.626 5.073 30 20 JKED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cc(Br)ccc2c1 1797983474 NVYJZIMDGGSLAQ-ACDBMABISA-N 477.349 5.066 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)on2)[C@H]1c1cccnc1 1802358596 QGYIMVNCKHTIHP-RCZVLFRGSA-N 472.589 5.049 30 20 JKED C=C1CC(C(=O)NC[C@@H]2CCN(C(=O)CCCCCCCCCCC(=O)OC)[C@@H]2c2cccnc2)C1 1802418176 OGIQLIWMDVBGFB-RBJSKKJNSA-N 497.680 5.128 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)CCCc2ccccc2F)[C@H]1c1cccnc1 1803122856 MQJVFKKGKVDWHK-CLCZQPDDSA-N 463.597 5.018 30 20 JKED O=C(CCCC(F)(F)F)N1CCCC2(CCN(C(=O)c3cc(F)ccc3OC(F)(F)F)CC2)C1 1806542776 OKMMLANRHALGPB-UHFFFAOYSA-N 498.439 5.302 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2OC(C)(C)CC3)[C@H]1c1cccnc1 1808147821 LASZPIMDRLTBQB-ILBGXUMGSA-N 489.660 5.497 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)oc2ccccc12 1809162431 WNFAZVZLESTXBG-CJFMBICVSA-N 498.970 5.295 30 20 JKED N#CCc1ccc(C(=O)N2CCC3(CCCN(C(=O)c4cc5c(Cl)cncc5s4)C3)CC2)cc1 1810253337 IXNVKIZOCCQFAW-UHFFFAOYSA-N 493.032 5.174 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2c(C)noc2-c2ccccc2)[C@@H]1c1cccnc1 1810500895 ZEEZSWXHOSDHEL-UKILVPOCSA-N 486.616 5.357 30 20 JKED Cc1snc2sc(C(=O)N3CCCC4(CCN(C(=O)c5cccc(C#N)c5Cl)CC4)C3)cc12 1810522355 YZTMFQZPXBSHIM-UHFFFAOYSA-N 499.061 5.350 30 20 JKED Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2Cl)[C@H]1c1cccnc1 1811220590 NXEGUMIGPXCRDE-CYFREDJKSA-N 493.394 5.202 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811863782 WFWRYJADUOWEEU-UNMCSNQZSA-N 473.539 5.412 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1812499879 DXAISEGSFZKSRR-GPUOULLFSA-N 478.036 5.241 30 20 JKED C=C(C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)[C@@H]1c1cccnc1)C(F)(F)F 1812682485 QMCIVKXOWPLHKK-ISKFKSNPSA-N 499.577 5.416 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1813051048 RHVMACIHSMPANF-ZBLYBZFDSA-N 465.553 5.104 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)cc(Cl)c2)[C@H]1c1cccnc1 1813862866 UGCVDAJANVBAGR-XMSQKQJNSA-N 457.977 5.186 30 20 JKED CC(C)Oc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCC3CCCC3)[C@H]2c2cccnc2)cc1C#N 1813958852 DHHLFLRZUXCFBH-YWEHKCAJSA-N 488.632 5.030 30 20 JKED CCSc1ncccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814355953 HNFLZYGLZRTFCV-VGOFRKELSA-N 488.617 5.163 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 1814371077 DRBOKCCNOQTLMP-QFIPXVFZSA-N 465.985 5.619 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)[nH]n1 1814823641 AXXKPWVEUUDGDJ-YDHSSHFGSA-N 468.548 5.252 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)[nH]n1 1814828316 GFZGPBGHAQJGFB-XMMPIXPASA-N 497.599 6.225 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)n[nH]1 1816178988 OGCSTLPQBDSYSP-SFHVURJKSA-N 493.942 5.134 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817744287 SCHDBAXBAHFSJT-DEOSSOPVSA-N 469.589 5.280 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)/C=C/C(=O)c4cccs4)n[nH]3)cc2s1 1818117124 BAZBXRHHVRPMAB-LKGOPFMKSA-N 493.614 5.067 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3cccnc23)n[nH]1 1818482646 UZJUPAUDYAQDTB-HSZRJFAPSA-N 487.680 5.315 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4scnc4c3)n[nH]2)c1Cl 1819149325 VIUXMYLLQGLWKQ-LJQANCHMSA-N 490.976 5.164 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)[nH]n1 1819309070 LPZCJCDSQUWIKA-NZQKXSOJSA-N 477.996 5.686 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2cc(Cl)ccc2OC)[nH]n1 1819555821 DCWIAAICKDZRQA-FQEVSTJZSA-N 473.017 5.299 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3c[nH]c4nccc-4c3n2C)n[nH]1 1820130037 AYADVWSTBIJONB-FQEVSTJZSA-N 487.608 5.028 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3c3ccccc3)[nH]n2)c1Cl 1820221547 XFPCQQOROVGXSE-ONTIZHBOSA-N 473.964 5.044 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/C3CCCCC3)n[nH]2)c1 1820908180 MJECBNJQMWOJCE-YBFNVKKMSA-N 459.594 5.479 30 20 JKED CC1=CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Br)c(C#N)c3)n[nH]2)CC1 1821243118 WPNKMARCLPXXJT-IIBYNOLFSA-N 496.409 5.096 30 20 JKED Cc1cc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4Cl)n[nH]3)ccc2[nH]1 1821280066 OQAPIUCALDOTLS-HSZRJFAPSA-N 486.963 5.344 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCc4cccc(Cl)c43)n[nH]2)cc1 1821775592 DRATXYYWDQENCW-NFBKMPQASA-N 487.991 5.165 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc(-c3ccccc3)s2)[nH]n1 1821986736 WQIYJQUKSJUPRM-KRWDZBQOSA-N 471.533 5.051 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H]3C[C@H]3c3ccccc3)n[nH]2)c1Cl 1822327508 OOAAFZGEUGISAQ-JAXLGGSGSA-N 473.964 5.044 30 20 JKED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1822376657 OPLLXOQUDJQISR-METAZSIFSA-N 475.058 5.348 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)[nH]n1)c1ccc(O)cc1 1822466416 CCPXWDOOLXXQDC-ZFOJSEFRSA-N 496.611 5.108 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)cc1C#N 1823135987 WZEOTEJJKMQZDJ-VWLOTQADSA-N 497.599 5.566 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 1823299019 BBRLDXQULYQHRK-SCLBCKFNSA-N 452.452 5.086 30 20 JKED C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1823685216 NNVNGJWODRLWND-FIPFOOKPSA-N 471.645 5.304 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Br)c(Cl)cc3F)CC2)C1 1823702216 WTPPLFSLKSGTPQ-NRFANRHFSA-N 497.836 5.441 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 1824499898 RHNHLHAGRSEEHY-OAQYLSRUSA-N 460.684 5.262 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)CC1 1825094396 VWJUDFFPYBQHRX-SJNSKEMXSA-N 459.634 5.569 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1)c1cccs1 1827682770 LDBGYENRZHTWPX-RENOVBFWSA-N 496.595 5.024 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@]2(F)CCCCC2(F)F)CC1)c1cccs1 1827682772 LDBGYENRZHTWPX-ZDEWPJPBSA-N 496.595 5.024 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1828827112 HMFKFYAKTWTMSG-ZJSXRUAMSA-N 454.014 5.213 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1828829552 DKOBSMAQKAECSX-BKMJKUGQSA-N 480.052 5.890 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(ccc4ncccc43)s2)CC1 1829577103 QKPREKZGFASMLP-QFIPXVFZSA-N 497.611 5.894 30 20 JKED COc1ccc(F)cc1-c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC#N)CC2)c(Cl)c1 1829694540 DOQFUFXRSBMRLG-DEOSSOPVSA-N 497.998 5.302 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)CC1 1829701059 FQOAZXPLVHCMJN-HXUWFJFHSA-N 464.940 5.531 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 1830054576 UXNRYFUFULZBKM-XMMPIXPASA-N 499.533 5.133 30 20 JKED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)c1 1830119988 ALKASWFXWZIVNF-KDYSTLNUSA-N 473.617 5.178 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1830171821 AFKQZTTVGYTKHU-PMVMPFDFSA-N 491.717 5.148 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1)C(F)(F)F 1830493532 IZVUNSMHMVGYTG-DEOSSOPVSA-N 486.534 5.831 30 20 JKED O=C(C/N=C/c1ccco1)N1CCC([C@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830654522 GBRABXHGRVOLIO-VOZXZEHESA-N 494.394 5.078 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)c1 1830713591 GZRIZPUBBUKBGA-XPJNUEMQSA-N 493.545 5.299 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1830806845 OUBZWBURYYORLD-MZNJEOGPSA-N 472.601 5.183 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1830878246 IPKINDBDWVNJMM-UUOWRZLLSA-N 454.014 5.334 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncccc2-c2ccccc2)CC1)C(F)(F)F 1831452529 GMMOMQXKOPCHMK-JOCHJYFZSA-N 471.523 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(OC)cc2F)CC1 1831718289 PAQHTPQPGKFALY-FXXWNWNUSA-N 468.613 5.236 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 1831860628 FVXHUECWKUUUHR-FRXPANAUSA-N 499.699 5.098 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(F)s2)CC1)c1ccc(O)cc1 1831925230 ZTWAXWJHOKNKQM-GGAORHGYSA-N 482.621 5.023 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C34CCC(CC3)CC4)CC2)c(Cl)c1 1832389714 HBQWXAZBXSNKEZ-NZQYTBKXSA-N 468.041 5.415 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)cc(Cl)c2)CC1)c1cccs1 1832625153 ACXXRDZBNGZKPN-IRUYWQDXSA-N 489.012 5.213 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)c1 1832629440 QLDJFCDIQBHTRX-CCLHPLFOSA-N 493.598 5.458 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)c1 1832632646 AESOINIMTYQQEW-PIKZIKFNSA-N 495.627 5.251 30 20 JKED C[C@@H](Oc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832633420 HSZDPTMRARGQIX-XXAUWVGASA-N 473.617 5.014 30 20 JKED CCC[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3C#N)CC2)CC1 1832794235 LACSLAWUJZYEBQ-QIGHUWCUSA-N 479.665 5.163 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c(Cl)ccc(Cl)c3O)CC2)CC1 1838423886 MCSXXJDYPORRDA-UHFFFAOYSA-N 497.463 5.304 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4occc4n3-c3ccccc3)CC2)CC1 1838520975 ZSRQKYUOLYSRDV-OAQYLSRUSA-N 489.616 5.048 30 20 JKED COc1cc(-c2nnc(SCc3cccc(C#N)c3)n2C2CCCCC2)cc(OC)c1OC 8645437 RODFXYDXLGGATR-UHFFFAOYSA-N 464.591 5.640 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)CSc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)cc1 9091443 ILXSONIWYOTNBV-UHFFFAOYSA-N 499.036 5.144 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccccc2OC)cc1 10118270 YRNJEUCBXGPROT-UHFFFAOYSA-O 469.577 6.215 30 20 JKED CC1=C(C(=O)Nc2ccccc2C(C)C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 10352572 ICWLFAQMWOOLLB-AREMUKBSSA-N 466.610 6.030 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2C)cc1C 12196072 FXUMZBVLMJXECB-UHFFFAOYSA-N 494.667 5.379 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 16151580 JWNSSJAZOMEDSF-MUUNZHRXSA-N 478.596 5.185 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)n1 19359404 SLJWCHINAADXDE-LJQANCHMSA-N 465.497 5.479 30 20 JKED C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 21228595 QJBZDLJAIPJZEG-UHFFFAOYSA-N 459.369 5.058 30 20 JKED COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)cc1 23563928 ICIRCGLCSSUBJU-QGZVFWFLSA-N 461.591 5.450 30 20 JKED C=CCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1OC 25433246 RFPPGTABJFBRRZ-UHFFFAOYSA-N 486.977 5.275 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1Cl 25661913 JCFIZBZRMHUSCU-UHFFFAOYSA-N 479.867 5.078 30 20 JKED O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 247744030 PLGVMVVOXFWXTL-UHFFFAOYSA-N 457.942 5.701 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N1c1ccccc1OC 254909229 ZNABABDCOZORCG-JOCHJYFZSA-N 495.988 5.522 30 20 JKED C[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cc(F)c(Cl)cc1Cl 409471959 QKZGEEOELGWTIN-CYBMUJFWSA-N 463.340 5.125 30 20 JKED O=C(NCCc1cc(F)cc(F)c1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 409662932 SKHNUEJZJVCYTQ-UHFFFAOYSA-N 480.771 5.128 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)nnc1-c1ccc(F)cc1 479613442 QDWDYEGFUKGDIE-UHFFFAOYSA-N 486.619 5.090 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3-c3ccc(Cl)cc3)CC2)cc1 485706688 MECBUTSVNQCOPC-UHFFFAOYSA-N 497.979 5.057 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 490646853 GLYKXKRQBCQDFO-UHFFFAOYSA-N 494.016 5.537 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)s2)cc1 498029746 UOFXIEHSNBCLTI-FQEVSTJZSA-N 483.594 5.054 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccccc2COc2ccccc2)CC1 501174856 RBWDBZTZHOPLRI-UHFFFAOYSA-N 463.541 5.040 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)c2)cc1 501428355 VRGAHDVVGLIPHH-UHFFFAOYSA-N 473.479 5.836 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 502703141 WWIXDIGWDWGPKR-OAHLLOKOSA-N 462.849 5.415 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 508274654 NPBZJUZETBUUJY-NOZRDPDXSA-N 461.493 5.540 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1Cl 510043144 IKYWRUAPPHADDL-IBGZPJMESA-N 474.870 5.653 30 20 JKED CCOc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c([N+](=O)[O-])cc1OCC 512302195 WNABFGSHIWAVAW-UHFFFAOYSA-N 461.474 5.095 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)c3cccc(Cl)c3)CC2)c1 517079089 GLDSRGFVMGMIEP-VANUSSGQSA-N 492.019 5.055 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 517448738 ILWCGBPCCSZBEH-GOSISDBHSA-N 492.670 6.027 30 20 JKED N#CCc1ccc(NC(=O)CNc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1 517968593 WTZMFFWCOATIAI-UHFFFAOYSA-N 470.426 5.213 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 518259337 JANZJYGZSOKEFD-FDDCHVKYSA-N 473.577 6.133 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3C(F)(F)F)cc2C1=O 520012272 UNYLIVJDICBFAF-UHFFFAOYSA-N 466.415 5.532 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 520497328 YMPXAKYHBYHVMQ-UHFFFAOYSA-N 499.951 5.433 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3CS(=O)(=O)c3ccccc3)n2)cc1 521304392 XMGBCYQDHLHJAE-QHCPKHFHSA-N 488.590 5.283 30 20 JKED CC[C@@](C)(C#N)NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 522205027 HLABTLYZAPOAEX-SANMLTNESA-N 496.032 5.153 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 524565558 YTGWLVKLUSALNI-UTKZUKDTSA-N 492.567 5.152 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)cc1Cl 554358642 LMGHXQUQXYAYLU-GOSISDBHSA-N 472.759 5.557 30 20 JKED COc1cc([C@@H](C#N)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC 559897328 JHZXYGRDWAMFTR-MRXNPFEDSA-N 477.369 5.742 30 20 JKED N#Cc1ccccc1N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 570991428 HKBHMFXLUNGWIR-UHFFFAOYSA-N 463.990 5.359 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 583160797 RFKLSGJMZSIBBQ-MUUNZHRXSA-N 464.569 6.686 30 20 JKED C=CCN(C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 596360034 HSBXANNFKWKXSM-HXUWFJFHSA-N 481.560 5.004 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 603618897 URZBRCSLKAMVDI-UHFFFAOYSA-N 492.362 5.716 30 20 JKED CCOc1cc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)ccc1OC(F)F 603692007 ODFCSYDJBVCCKS-UHFFFAOYSA-N 468.460 5.410 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 603967933 CJMLWTZHSHFRMS-UHFFFAOYSA-N 450.570 5.238 30 20 JKED CC(C)(CCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccccc1 604427566 CWVSXXUQFHJLMH-QHCPKHFHSA-N 459.977 5.418 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 608875418 XKVWDPVQEDNKGJ-UHFFFAOYSA-N 484.968 6.262 30 20 JKED COc1ccc(-c2nc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cs2)cc1OC 609061231 MLQIJRIEPTXPGN-UHFFFAOYSA-N 485.565 5.839 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cc1 609064421 VDBPBRPWZLAJIS-UHFFFAOYSA-N 479.511 5.710 30 20 JKED Cc1cc(COc2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2Br)no1 609358556 IBSFBIZRFGSLFJ-UHFFFAOYSA-N 457.328 5.005 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 609371051 VYTJGYRJHFWDRR-OAHLLOKOSA-N 488.038 5.030 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 609377431 VAAKQAWUECEGRC-LJQANCHMSA-N 498.608 6.061 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nc(-c2cccc(Cl)c2)no1 609389045 WSFJTALWEORWJS-CQSZACIVSA-N 458.996 5.514 30 20 JKED COc1ccc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(Br)c1OC 609389695 JFQVDRAZKRTSHJ-AWEZNQCLSA-N 495.464 5.590 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(F)c(Br)c1 609405306 WXQCXUOWGHUHGA-OAHLLOKOSA-N 496.336 5.377 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 609434871 WDXWQFJZVCFNNC-AWEZNQCLSA-N 469.408 5.915 30 20 JKED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c2ccc(F)cc2Cl)cc1 609439894 SJXXFMIUIVERED-OSPHWJPCSA-N 496.007 6.026 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)o2)cc1 613403139 DGALZRGYVGIAIN-FQEVSTJZSA-N 468.463 6.552 30 20 JKED O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 615432244 BSFMBSWQYBKNFG-MNOVXSKESA-N 467.328 5.876 30 20 JKED C=CCn1c(SCCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccoc1C 644450317 ACTZQRGZKZXFCK-JOCHJYFZSA-N 464.616 5.482 30 20 JKED C=CCn1c(CCN2CCCCC2)nn(CN2CCC(c3c(C)[nH]c4ccccc34)CC2)c1=S 725771447 WNJKOEXJQYODRY-UHFFFAOYSA-N 478.710 5.255 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccccc2Cl)cn1 726109780 CYESPLZCUACJCC-NRFANRHFSA-N 482.009 5.025 30 20 JKED C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(N2CCOC2=O)cc1 726243424 HLIWAKMBCGAIBQ-LJQANCHMSA-N 472.520 5.127 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N([C@H](C)c3cccnc3)C2=O)c1 726419106 CLSBSPTUFSPCQJ-KUMKXBAFSA-N 492.670 5.911 30 20 JKED C[C@H](/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CCc1cccs1)c1cccs1 726421216 ONJSHGVONSOKHU-LRQVMVACSA-N 487.647 5.581 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\[C@H](C)c2cccs2)c1 726421522 NNRDFHGBSKFMBP-UKIVZVEXSA-N 493.654 5.485 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(C)c(C)c2C)[n+]2ccc(CCC)cc2)c1 726573002 UXNRQZYPHXQJIO-UHFFFAOYSA-O 455.647 6.465 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 726755204 ASUOKYGMXBVRQT-UHFFFAOYSA-N 456.549 5.888 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1csc(Cc2ccc(F)cc2)n1 727039772 ZDFXWDDENISXDJ-FQEVSTJZSA-N 471.513 5.626 30 20 JKED N#Cc1cccc(COc2ccc(NCc3cc(=O)n4cc(Cl)ccc4n3)cc2Cl)c1 728051916 RTUGPWRXZAPJQB-UHFFFAOYSA-N 451.313 5.064 30 20 JKED COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2)c1 728108794 KCNBWFGHMMPVMA-AREMUKBSSA-N 482.492 5.276 30 20 JKED Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cc(I)cc(C(F)(F)F)c1 728148136 USDONSRLCJZPHW-OAHLLOKOSA-N 496.226 5.305 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 728423941 YNHZPXKIMAVDPI-KOSHJBKYSA-N 499.596 5.073 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc(Cl)c1C 729141984 HIVQEUHPYUHMKO-FQEVSTJZSA-N 499.061 5.252 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2scnc2C)c1 729146679 WBUPLFCDZCKEPL-FQEVSTJZSA-N 482.606 5.368 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(Cc3ncccc3C)C2=O)c1 729631315 GQPCPRXVICKTTI-YUGFFRFOSA-N 494.642 5.050 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(C(C)C)cc2)[n+]2ccc3c(c2)CCCC3)c1 729668636 MBPUVCKUSCDWGV-UHFFFAOYSA-O 477.606 5.407 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCc2c(C)noc2C)c1 730442997 BGCDYLWFEJDYNY-QFIPXVFZSA-N 497.020 5.456 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3Cl)N(Cc3cocn3)C2=O)cc1 730716766 XKAIIDIMFXNLEZ-IBGZPJMESA-N 489.384 5.450 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2sccc2C)cc1 731305336 JRZIDZUMDKXVQQ-OAQYLSRUSA-N 495.626 5.321 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccco2)c(Cl)c1 731309294 RIWSNAWHDVAFOG-HXUWFJFHSA-N 483.977 5.416 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)n(Cc2ccccc2)c1C 758022498 XYJWPEVHNWADAF-UHFFFAOYSA-N 456.329 5.127 30 20 JKED CCOc1cc(C#N)ccc1OC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 818032917 AJHIKCDRVNTNAJ-HNNXBMFYSA-N 491.594 5.562 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)nc2sccc2c1=O 832027257 LHHRAPGRFIFCAZ-HNNXBMFYSA-N 477.636 5.954 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2[C@@H](C)c2ccccn2)c1 838285743 OPTQSCWDZXCOMO-MHECFPHRSA-N 488.613 5.374 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1ccco1 838496135 OGPSRJNLYFBPDC-FQEVSTJZSA-N 469.950 5.102 30 20 JKED CCOC(=O)Nc1ccc(NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1C#N 864039551 WUJPLMVEGRRFGV-UHFFFAOYSA-N 450.539 5.032 30 20 JKED N#C[C@H](C(=O)CSc1ncc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccccc2)cs1 914530589 JTEXBMKIHGCMQE-QGZVFWFLSA-N 451.960 6.087 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCc3ccccc3)C(=O)N2[C@H](C)c2ccccn2)c1 914546947 UAALGDGZDOCBTB-HYBUGGRVSA-N 472.614 5.098 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CC2CCC2)C1=O 915111167 JZWNBBOVUZGCIC-HXUWFJFHSA-N 457.983 5.109 30 20 JKED O=c1c2c3c(sc2ncn1N=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)CCCC3 916287350 ADHAVZVXLGWION-UHFFFAOYSA-N 480.933 5.573 30 20 JKED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 916710614 MASROXGXAUZTNY-YHMQUTQNSA-N 482.650 5.166 30 20 JKED Cc1ccc(S(=O)(=O)N(CCC(=O)[C@H](C#N)c2ccc3ccccc3n2)c2ccccc2)cc1 916849151 PYIGKNXVUQXQLQ-XMMPIXPASA-N 469.566 5.005 30 20 JKED Cc1cccc2sc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)c(Cl)c12 916886573 HHZUFHBZPMTTEJ-CYBMUJFWSA-N 450.919 6.139 30 20 JKED Cc1ccc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(Br)c1 916906283 RTEGHFQRFLINSM-ODLZTCLXSA-N 475.342 5.911 30 20 JKED N#C[C@H](C(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 916918115 MFTHPNFMGXHSBB-QFIPXVFZSA-N 464.481 5.321 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 916925900 QLNOZBIJIIQLDU-OFVILXPXSA-N 479.001 5.909 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)c2)cc1 917343835 JAGUEPUVVLROFI-GDLZYMKVSA-N 488.543 6.038 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C 917507224 RRBSHAGBKROFEZ-QGZVFWFLSA-N 499.976 5.011 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(OC)c3)SC2=Nc2ccccc2)c1 917672445 GJCQHJBMRYGJJB-DEOSSOPVSA-N 489.597 5.002 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 920108275 DQKDNTFFTWMRQN-XMMPIXPASA-N 493.563 5.700 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 920110076 YGJWTHFQUHSXFV-SFHVURJKSA-N 455.345 5.265 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCSc3nc4ccccc4s3)n2)cc1 920141712 HNUAQPDICRZNNZ-MRXNPFEDSA-N 451.598 5.787 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(F)c(F)c2)c1 920353943 WYYVBMDDGFRHKO-JOCHJYFZSA-N 481.524 5.134 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNc2nncc3ccccc23)cs1 920362219 QOPBISOHKPNSPH-UHFFFAOYSA-N 456.453 5.236 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccccc3F)n2)ccc1Cl 920732805 NIDWPHSBVYCYOY-UHFFFAOYSA-N 457.914 5.015 30 20 JKED COc1ccc(O)c(C=Nc2ccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)cc2)c1 920942411 BEANCKFMOLKOJJ-UHFFFAOYSA-N 467.437 5.013 30 20 JKED C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4scc(-c5ccccc5)c4[nH]3)C2)C1 1780012370 BAROIWGNUTWVMM-NDEPHWFRSA-N 489.641 5.108 30 20 JKED COc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)CCC2)c1 1785797875 RREXGYYJOIIUDI-UHFFFAOYSA-N 471.532 5.086 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3ncc(Cl)cc3Cl)CCC2)cc1 1786365914 VWWGIIPVIPIOQK-UHFFFAOYSA-N 462.377 5.119 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1786371024 JGZPCRGKHYUYFZ-INIZCTEOSA-N 451.954 5.160 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)NC1(c2ccc(NC(=O)[C@H](S)C(C)C)cc2)CCC1 1786392143 WYUHKRFOLSCSKF-GOSISDBHSA-N 454.514 5.309 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3sccc3F)CCC2)cc1 1786544172 DPPYJPGNBRXWJL-LJQANCHMSA-N 487.597 5.104 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)Cc4ccc5ncccc5c4)cc3)CCC2)cc1 1786556903 KCINHQTYDNKTMN-UHFFFAOYSA-N 474.564 5.026 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)Cc3ccc4c(c3)C(=O)c3ccccc3CO4)cc2)CCC1 1786788696 VZCQFFUVKLNOGC-UHFFFAOYSA-N 480.564 5.063 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3)CCC2)cc1 1788789493 BZYVNPARBLOHBD-UHFFFAOYSA-N 467.447 5.540 30 20 JKED C=CC[C@@H](CC(=O)NC1(c2ccc(NC(=O)c3cnc(C)s3)cc2)CCC1)NC(=O)OC(C)(C)C 1788867170 XUAIOJPEEYMYGG-FQEVSTJZSA-N 498.649 5.059 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4ccc5nc(Br)sc5c4)cc3)CCC2)CC1 1789341684 YCEITSAKTUDDRD-UHFFFAOYSA-N 495.402 5.110 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)COCc3ccc(OC)cc3)CCC2)cc1 1789458152 NJRBMDQUFJLOLS-VWLOTQADSA-N 462.590 5.114 30 20 JKED Cc1cc(Br)sc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CCC1 1790147432 RTJVUXSZAKVZCC-UHFFFAOYSA-N 483.391 5.080 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)nc2ccc(Cl)cn12 1790290568 ZPRIJHLAQYWZAA-UHFFFAOYSA-N 483.959 5.229 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3occc3C)CCC2)cc1 1790469862 QORXCPXOVKIMPR-QFIPXVFZSA-N 493.604 5.033 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(F)ccc3Br)CCC2)cc1 1790564120 RRLLJBBOLLJJNT-HNNXBMFYSA-N 490.373 5.137 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3sc(Br)cc3C)CCC2)cc1 1790566018 LSOOKGGOTVNLLD-HNNXBMFYSA-N 492.439 5.368 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cccc(NC(=O)OC)c3)cc2)CCC1 1790587202 LSEVPOJLYFVICZ-HSZRJFAPSA-N 461.562 5.381 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CCC2)cc1 1791300443 QITXGUYHZPOBBC-GOSISDBHSA-N 479.568 5.025 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)cc2)CCC1 1791477748 HTGQAUBKUWIHGN-PNHOKKKMSA-N 473.436 5.005 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)cc2)CCC1 1792204451 XNXKWLGWQZERCU-UHFFFAOYSA-N 483.653 5.399 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)/C=C/c3ccc(Br)cc3)CCC2)cc1 1792267276 MMDXZPPRAFWAKW-OVCLIPMQSA-N 451.364 5.010 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(OCc3ccccc3)cn2)CC1 1794253305 IDGSYZFYCOGEIX-SPGPFUFCSA-N 499.655 5.099 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2cc(-c3ccccc3)ccc12 1796544074 KBJOESCAAIYIFG-NUNAXRQHSA-N 470.617 5.474 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2Oc2ccccc2)c1 1799553755 YQEAMHKRPYHTAY-ZBCONREDSA-N 479.580 5.672 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)C[C@@H]1C 1799950083 WRBSHSJSDYABND-ADZBJJCDSA-N 491.717 5.315 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@]1(C)C[C@H]1C)C2 1800175922 WBVVXFYVXJHUBU-CRUNJEDWSA-N 491.717 5.315 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(C(F)(F)F)c1 1800466172 YOWPMYKMGQNOQK-BJWYYQGGSA-N 456.936 5.603 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2oc(-c3ccccc3)cc2[nH]1 1801079389 UMFISKWUIQETHP-WKCHPHFGSA-N 459.590 5.672 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1c1cccnc1 1802498888 OYYVUJMEZUDQEB-CYFREDJKSA-N 462.569 5.014 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2c(F)cccc2Cl)[C@@H]1c1cccnc1 1802851419 IDRRIQYGZMPSSW-DVECYGJZSA-N 472.004 5.115 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CC(C1)C2 1803377340 UTGQAWFOXYUKES-XRRPANLSSA-N 489.701 5.069 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808488419 YVRVOLZQCSMMOH-NXQMDHLFSA-N 477.992 5.527 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)[C@@H]2c2cccnc2)c1 1809621503 BCAFAWUIHLWEFZ-CMDSPMEKSA-N 484.644 5.188 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 1810173746 BHFBRUQVHVDOPN-GEBXHLAXSA-N 482.628 5.037 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)/C=C/Sc2ccc(C)cc2)[C@@H]1c1cccnc1 1810240864 RTLMJMNFIYGNBQ-YNEIRMAZSA-N 475.658 5.470 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)CC1 1810400261 MIPQDTMSALUPBW-QHCPKHFHSA-N 497.639 5.338 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811433824 ITAGOVSCCVWKGW-UTKZUKDTSA-N 473.907 5.012 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccccc2)N(CC)CC)[C@@H]1c1cccnc1 1812426938 VHKVMSZRXXQSAQ-PVHODMMVSA-N 490.692 5.163 30 20 JKED CCCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1 1812699434 XYYLOWPBALYVQH-VNZMSGEBSA-N 467.013 5.143 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)cc1 1812743323 MZLNLXAYFAZILQ-LITSAYRRSA-N 489.736 5.080 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H](CNC(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c1 1812994121 VOSBJPSTXYEXHC-DUFKRMHYSA-N 492.623 5.150 30 20 JKED CC#C[C@@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@H]1c1cccnc1)c1ccc(O)cc1 1813122459 UMJYPBWMDAJSAA-WXYVVMJLSA-N 489.660 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1813766079 FTNJBFWUPTWQRD-YOSAUDMPSA-N 486.443 5.785 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C)cc2Cl)[C@@H]1c1cccnc1 1813829898 GJNMAYCARPKXGY-LGVFNWMJSA-N 451.998 5.131 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C4CC4)cc3)[nH]n2)cc1 1814379336 QENIGAIYGIVJIP-VWLOTQADSA-N 467.573 5.097 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CCCC3)n[nH]2)c1 1814684393 NHUMROQLBOMRPH-XMMPIXPASA-N 467.573 5.099 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1815655108 ILYXBNUYFUAXPD-HXUWFJFHSA-N 489.601 5.172 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]n1 1815659653 XZTWYPBWUFTAPH-QGZVFWFLSA-N 497.846 5.051 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)C)on2)n[nH]1)c1ccccc1 1816597917 SSURTDKBWDNUHM-REWPJTCUSA-N 473.577 5.024 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(C(F)(F)F)CCC3)n[nH]2)c1 1817195079 FDAIMSZUBFEZCC-DNVCBOLYSA-N 473.499 5.075 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc3ccccc3c2)n[nH]1 1817773796 VXAOPBVMIOUBQK-RUZDIDTESA-N 477.568 5.344 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Br)ncc2F)n[nH]1 1818282633 JNOPPCUOFIBTAE-QGZVFWFLSA-N 492.393 5.005 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)[nH]n1 1819309329 SCVQMBZLUZMMNF-ILBGXUMGSA-N 469.589 5.546 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc[nH]c4cc3F)n[nH]2)c1 1820203220 FXBAOFGRSKUPGV-VOIUYBSRSA-N 484.535 5.277 30 20 JKED C[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2OCc2ccccc2)n[nH]1 1820237596 POIUFYBVZSCOIN-IERDGZPVSA-N 499.036 5.266 30 20 JKED CC1(C)CCC(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)[nH]n2)CC1 1820978674 SCGDVCNWHNYFGE-QHCPKHFHSA-N 479.600 5.262 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)cc2O)n[nH]1 1821040539 STVNPZFTNFHPNY-SFHVURJKSA-N 489.414 5.176 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2C)[nH]n1 1821987374 ROXCUYRYWOKKGO-QGZVFWFLSA-N 499.331 5.137 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)CCCCC)n[nH]1 1822007344 TUNOWBKFFRTWKW-SFHLNBCPSA-N 489.661 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3CCc4ccccc4C3)n[nH]2)c1 1822126906 FVGYFFPHZPBHQC-RTGAMMJTSA-N 481.600 5.148 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@]2(F)CCCC=C2F)[nH]n1)c1ccc(O)cc1 1822466642 KYOUILJMBIQYBA-FBIATWESSA-N 496.558 5.050 30 20 JKED Cc1cc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)c(C)c1 1823154105 VCWHTXAOOUABKN-HSZRJFAPSA-N 455.562 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4cc[nH]c4cc3F)[nH]n2)c1 1823216765 BARYVPPXAKBKDT-GYCJOSAFSA-N 484.535 5.277 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(C)c1 1823218185 PTDFAJMUYTXENY-CYFREDJKSA-N 455.562 5.273 30 20 JKED Cc1ccc2c(/C=C/C(=O)Nc3cc([C@H]4CCCCN4C(=O)Cc4ccc(C#N)cc4)[nH]n3)c[nH]c2c1 1823562365 YBSPMCLRXKQEII-LEYIMRRPSA-N 492.583 5.019 30 20 JKED CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cn1 1823655928 SBEGDZGBJNVPLF-HSZRJFAPSA-N 493.051 5.451 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1823682731 BCAPLLXNTGZQLN-LLHNEZGQSA-N 495.623 5.570 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccnc3-c3cc(F)cc(F)c3)CC2)C1 1823700259 OOBYEOAAVXKQLX-RUZDIDTESA-N 479.571 5.226 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)c(Cl)c1 1824039171 SZPJNPZWOXJDHE-GSLIJJQTSA-N 494.010 5.388 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 1824141628 YGISYQGAXSMDIO-JOCHJYFZSA-N 463.544 5.102 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 1824538802 SKIRJKHDMJEDGU-OUOHIEPJSA-N 454.636 5.020 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc(C(F)(F)F)c3)CC2)c1 1825688498 UGSGCFIPGSRNFP-WZONZLPQSA-N 498.549 5.275 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1826693199 ATBXLZUAWGQZBZ-ZJSXRUAMSA-N 481.040 5.165 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1)C(F)(F)F 1826781540 REEQNYQJKVEAHT-XGAJZPNHSA-N 489.582 5.103 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827263364 CGTMXZUEGHOHEY-NRFANRHFSA-N 490.069 5.166 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827353226 MMQAKORFONRMJN-CPJSRVTESA-N 463.597 5.333 30 20 JKED CCc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc(C)n1 1827926463 JRXHEMHQJMGXNS-XMMPIXPASA-N 479.024 5.025 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 1828459340 LYFMNICHPJNULD-HXVUFMGFSA-N 475.677 5.592 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1828514548 HAGZRLZATGFYRN-WIOPSUGQSA-N 451.586 5.309 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1828778867 JITJXJUVJTYABS-JXALWOEJSA-N 495.714 5.789 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc3cc(C)c(C)cc3[nH]2)CC1 1828852883 NSSDEJILHUJUNE-RCZVLFRGSA-N 462.638 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ncc(Br)cc2C)CC1 1829066207 VAYKHSKLHVHWCK-OAQYLSRUSA-N 490.486 5.378 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccccc3Cl)CC2)c1Cl 1829688831 JWEYETXEZMCMSM-QHCPKHFHSA-N 484.427 5.341 30 20 JKED COc1cc(C)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829693148 WGRBUNHBAQNOJX-QHCPKHFHSA-N 480.008 5.076 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829937656 LSYMCGFKMNLVAC-DEOSSOPVSA-N 499.533 5.133 30 20 JKED CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1830359159 OHTPVDWHJNBERW-LMSSTIIKSA-N 489.635 5.299 30 20 JKED Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1830595568 HPGUCOIHUBJRJK-QHCPKHFHSA-N 467.972 5.206 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1830596566 GDPZRJNRKBCARA-MHZLTWQESA-N 487.644 5.212 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 1830684562 ZGXZGFLHHTTXOZ-RUZDIDTESA-N 456.590 5.039 30 20 JKED Cc1cccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723172 GCPWKRYAENDPCG-QHCPKHFHSA-N 467.972 5.206 30 20 JKED CSCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755471 YZUMOQNTBYHXCN-NRFANRHFSA-N 495.611 5.200 30 20 JKED COc1ccccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1830755614 IRIKXWFOFDDDIA-HSZRJFAPSA-N 499.533 5.133 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1831376352 MRSDDRQLQHOCMD-BWKNWUBXSA-N 487.084 5.220 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831376676 UIWLHZOPWRDRPP-UQBPGWFLSA-N 453.602 5.072 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1)C(F)(F)F 1831453361 RBCLTWQRQIGZDW-NRFANRHFSA-N 466.544 5.216 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3F)CC2)c1 1832397580 SAAZBPBIRZKDKH-ZBLYBZFDSA-N 475.608 5.319 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699264 WEMLVQQSAKXFSM-MUUNZHRXSA-N 474.645 5.570 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CCC1 1832785098 GZSUNHTWZKAUIJ-HXUWFJFHSA-N 481.946 5.286 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)CC2)CC1 1835485999 JSSQZALEDBWJAN-UCGXPXSYSA-N 471.730 5.157 30 20 JKED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CCCc3ccc(C(F)(F)F)cc3)C2)c1Cl 1841568898 ONPPKUDQZFBFCB-UHFFFAOYSA-N 489.925 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)c1cc3ccccc3c(Cl)c1OC)C2 1844203050 RUNSMXGKQIHPCO-IBGZPJMESA-N 452.982 5.087 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)c2cc(Cl)c(Cl)cc2F)C1 1846889795 WKDCZGGVKXXAMA-UHFFFAOYSA-N 469.460 5.001 30 20 JKED C=CCn1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nc2cc(Cl)ccc2c1=O 9353715 WGBJTNKBVMKOLA-UHFFFAOYSA-N 489.306 5.034 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(O)c1 10118180 GBQICVMKKJLEHY-UHFFFAOYSA-O 455.559 5.406 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccc(Cc2ccccc2)cc1)c1ccc2c(c1)OCCO2 10170431 XKIDUKSNVMDPSY-UHFFFAOYSA-O 481.597 5.387 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Oc3ccccc3)cc2)[n+]2ccccc2)cc1 10172417 NMDRGKCLSDRMKN-UHFFFAOYSA-O 467.614 6.941 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)ccc2C)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179250 ICVRDAMKJOYETC-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(F)c(Cl)c1 10359390 JRJWRUUASNJYAC-QHCPKHFHSA-N 476.964 5.699 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(F)cc1)=C(/S)Nc1ccc(SC(F)F)cc1 11113127 SNVOIWBPRZDJSJ-UHFFFAOYSA-O 461.554 6.041 30 20 JKED COc1cccc(NC(=O)/C(=C/c2cccc(NC(=O)C(F)(F)F)c2)C(=O)c2ccccc2)c1 11330493 VXYFMYLAKHJMGA-KGENOOAVSA-N 468.431 5.101 30 20 JKED C=C(C)CN(CC)C(=O)CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1 21377065 KYGXTTSPRBALLY-UHFFFAOYSA-N 456.999 5.016 30 20 JKED CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1Sc1ccccc1C#N 24861331 KOJXOSJISDTBQC-UHFFFAOYSA-N 470.381 5.727 30 20 JKED C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)N(CCC#N)c1ccc(F)cc1 28786233 RZAVLRRKMMJDGP-HXUWFJFHSA-N 485.588 5.425 30 20 JKED COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Br 30510461 YQTVLBNCQWRROD-KBPBESRZSA-N 476.440 5.338 30 20 JKED C=CCn1c(SCc2ccc(Cl)c3cccnc23)nnc1[C@@H]1COc2ccccc2O1 31649663 RYJPLRMUGSNAAB-FQEVSTJZSA-N 450.951 5.471 30 20 JKED COc1ccc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1NC(=O)c1ccc(Cl)cc1F 108529754 KUXGYBJUYACRDT-XMMPIXPASA-N 495.938 5.654 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CC1 247639720 GNHGXDSBTMZMEK-UHFFFAOYSA-N 451.766 5.091 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(F)F)cc1 254868691 BVXIIHDVKPLUAH-SFHVURJKSA-N 479.936 5.396 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O)Nc1ccccc1Br 255841562 SIPWKBNDFVAIGU-IBGZPJMESA-N 484.375 5.203 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(-c2cccs2)n1 301634618 KACGAIIWNODFHY-UHFFFAOYSA-N 461.037 6.174 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 302941453 AFVHKSUMHGSHSO-UHFFFAOYSA-N 457.496 5.073 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 303291884 BHEOTCZADYSZAI-LBPRGKRZSA-N 478.462 6.210 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 303356827 GJIOAAFNBVNZFL-INIZCTEOSA-N 462.333 5.749 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc3ncccc3C#N)cc1C)O[C@@H](C)C2 409793298 KZRJUCPWAGDQLQ-HYVJGQCMSA-N 469.541 5.518 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)O[C@@H](C)C2 409803513 CAGSJYPMIDTGGC-DQXHVOOISA-N 481.552 5.275 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCCN(Cc4cccs4)C3)c2)cc1 495184026 MZOQWWCHDZMYCU-HSZRJFAPSA-N 474.630 5.427 30 20 JKED N#Cc1c(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)sc2c1-c1ccccc1CC2 496612210 NWJWYQPBUNGZLU-UHFFFAOYSA-N 462.596 5.354 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1Cl 501161138 MWBDMLZXGCKLPE-VWLOTQADSA-N 495.970 5.964 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1C 502217570 GMBUMNLNAXXWAT-SFHVURJKSA-N 470.495 5.513 30 20 JKED CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 502548950 YGXQGJAVCIZLCH-UHFFFAOYSA-N 457.599 6.224 30 20 JKED COc1ccc(CC(=O)NCc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc2)cc1 502689094 GQRIEXXNUPMCBM-NRFANRHFSA-N 489.984 5.307 30 20 JKED Cc1ccc(F)c(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)c1 503119458 ILYCLGFZBGLRAU-UHFFFAOYSA-N 466.744 5.658 30 20 JKED COc1cc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 503885109 JTSFUBRMIJAOTH-HXUWFJFHSA-N 465.937 5.343 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(CCC#N)Cc3ccccn3)cc12 505213650 PHMKTGSSTKKHGB-UHFFFAOYSA-N 484.412 5.712 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 505626620 VGMIWNZJQKWIKA-UHFFFAOYSA-N 489.487 5.412 30 20 JKED C=CCc1cc(C(=O)Nc2cc(OCC)c(OCC)cc2Br)cc(OC)c1OC 508020058 BWTPOCYPQXAPAT-UHFFFAOYSA-N 464.356 5.245 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)C1(c2ccc(Br)cc2)CCOCC1 508760639 CXNVAOFGYGYBJH-UHFFFAOYSA-N 454.817 5.427 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H](c3ccccc3)c3nccs3)c2)c1 509207354 ATLLGGCINZGGAC-QFIPXVFZSA-N 453.527 5.178 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)Nc2ccc(Br)cc2)cc1Cl 510046882 ZQJQLXCHBVLLHY-FQEVSTJZSA-N 497.780 5.518 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 510859062 ZALVLJILTBXCPL-UHFFFAOYSA-N 465.557 6.146 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1 511016678 VKUUFBPWWSDXAD-UHFFFAOYSA-N 468.601 5.004 30 20 JKED CC[C@H](NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(Cl)c1 511459432 JYPJDZZWFUPDCY-DEOSSOPVSA-N 461.949 5.191 30 20 JKED C=CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 514547100 BDXFCCYABSNJBG-UHFFFAOYSA-N 471.454 6.317 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc2cc(Cl)ccc2s1 515540040 DFOMOLKGTUISJN-HNNXBMFYSA-N 461.959 5.749 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)cc2)c1 517511299 SRCMUCPKKZJOBX-IBGZPJMESA-N 491.494 5.443 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 517517971 MRQKZCQZJDCFJB-HNNXBMFYSA-N 475.957 5.787 30 20 JKED CCCCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc2ccccc2c1=O 518130132 LDOCUTNMADQOMH-QGZVFWFLSA-N 466.632 5.179 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccc(OCc2cccnc2)cc1 519988319 NFTQSYSMKUPTNX-HXUWFJFHSA-N 464.525 6.207 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 520198887 JPFITEUVYUSDEU-XMSQKQJNSA-N 471.582 5.326 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 520831155 SGVBFRMDFNMOCJ-DEOSSOPVSA-N 473.573 5.034 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 521797307 NSDQYMOOQQTFHL-FZKQIMNGSA-N 491.400 5.231 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 521807700 YDGNIFASHSARKP-OAHLLOKOSA-N 461.509 5.229 30 20 JKED COc1ccc(-c2nc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)sc2C)cc1 524164041 KGRLNUVWCCXWQR-UHFFFAOYSA-N 471.586 5.773 30 20 JKED COc1ccc([C@@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2c[nH]c3ccccc23)cc1 524384781 SMZQFMIZFUJIEM-AREMUKBSSA-N 491.547 5.782 30 20 JKED COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 524599392 GVMJWAGDSFNJOI-UHFFFAOYSA-N 470.529 5.242 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cn2)c1 603622073 JAKRBIIQKRYFGJ-UHFFFAOYSA-N 463.906 5.180 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1Cl 603759174 WIVSLJXHACUIKD-LJQANCHMSA-N 465.862 6.815 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 603920869 CPXHLNMDJUBBOC-MRXNPFEDSA-N 482.367 5.395 30 20 JKED N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 603969171 JPORFDXEMDDUFI-UHFFFAOYSA-N 490.938 6.209 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 604004599 FWXOKLNBYWGAHF-UHFFFAOYSA-N 451.482 5.429 30 20 JKED CCN(C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](C)c1ccc(F)cc1 604221736 WYOKIAHAVVZUCK-IBGZPJMESA-N 459.521 5.019 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 604254795 RMBSQQCHVAYITA-UHFFFAOYSA-N 458.521 5.923 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCCOc3ccc(F)cc32)c1 604440787 TZDSQPHOTCPPSB-QFIPXVFZSA-N 475.545 5.072 30 20 JKED N#CCCn1cc(C(=O)Nc2ccc(NC3CCCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 604539394 MIJAPABPDXPVAM-UHFFFAOYSA-N 458.522 5.369 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 604562098 FICLTFAZBJYOPL-IBGZPJMESA-N 468.513 5.912 30 20 JKED COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 608915592 OGZZMMKOLSDWNY-WOJBJXKFSA-N 492.620 5.421 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)NC2CCCCC2)CC1 609078278 HZPXOTATMWHKHO-UHFFFAOYSA-N 474.605 5.139 30 20 JKED COc1ccc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1OC(F)F 609079741 KDTFGNOSJNYKBL-UHFFFAOYSA-N 481.499 5.420 30 20 JKED CC(C)CC(=O)N[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 609111961 XABQEXWPZLESPB-SANMLTNESA-N 459.521 5.118 30 20 JKED N#C[C@@H](C(=O)c1sc2cccc(Cl)c2c1Cl)c1nc(O)c2c3c(sc2n1)CCCC3 613289795 YGXXCBJOOGYZEM-JTQLQIEISA-N 474.394 6.287 30 20 JKED C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 616220248 RHSHMYOADBCCRR-VIFPVBQESA-N 472.307 5.559 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 618070486 KYKOYBILZPZGOD-RTBURBONSA-N 472.614 5.651 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 677814904 PUKWQMPFEZCYFD-IAGOWNOFSA-N 498.722 5.181 30 20 JKED C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCCC4)nnc1-c1ccccc1OC 684999102 ZGAOVBVPMMEZCU-UHFFFAOYSA-N 465.604 5.021 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccccc2-c2ccccc2)[n+]2cc(O)ccc2C)N=C1C 725764082 PNNBSZDLZTVWHV-UHFFFAOYSA-O 498.628 5.973 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C2CCCC2)cc1Cl 726406712 LWYYANPZNNLPSG-HXUWFJFHSA-N 452.967 5.115 30 20 JKED N#Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccncc3)SC2=S)cc1Cl 726626524 HXYIXKRLJAHVPO-SRZZPIQSSA-N 463.971 5.591 30 20 JKED Cc1ccc(NC(=O)C(=Cc2cccc(OCCCC#N)c2)C(=O)Nc2ccc(C)cc2C)c(C)c1 726741507 GNYJLGZPLLQSPV-UHFFFAOYSA-N 481.596 6.264 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2C)c1C 727252907 SYIBWIRISUKEGY-DEOSSOPVSA-N 489.645 5.297 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(c4nc5ccccc5s4)CC3)n2)cc1 727626994 JPGZERCCZWNKCV-IBGZPJMESA-N 458.612 5.821 30 20 JKED O=C1/C(=C/c2nccn2CC(F)(F)F)CC(c2ccccc2)C/C1=C\c1nccn1CC(F)(F)F 727744784 KTDDBICVOHMQJA-KLCVKJMQSA-N 494.439 5.818 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 728411797 LNOAOTRYHKMUPU-OAHLLOKOSA-N 484.261 5.100 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2CCCCC#N)c1 728780610 VJHABNWNZWLYJK-HSZRJFAPSA-N 473.602 5.336 30 20 JKED COc1cc(-c2cc(C(=O)N(CCC#N)CCC(C)C)c3ccccc3n2)cc(OC)c1OC 728871260 LPQDQHUAFHNQMK-UHFFFAOYSA-N 461.562 5.330 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)CCN3c4ccccc4Sc4ccccc43)CC2)c1 729416106 JOGLULBAXJAUMX-UHFFFAOYSA-N 455.583 5.621 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2ncccc2C)C1=O 729632945 BPSGMFBQWWDDKN-DEOSSOPVSA-N 488.613 5.176 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2ncccc2C)C1=O 729635036 ZLKCBSUBISUIRZ-XMMPIXPASA-N 488.613 5.176 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N(Cc3cocn3)C2=O)c1 730714465 ZBPXMJZZHOOMSU-QFIPXVFZSA-N 462.575 5.069 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N([C@@H](C)c3cccnc3)C2=O)cc1 730942678 UUPSLLDYGLSIAU-GAJHUEQPSA-N 492.576 5.341 30 20 JKED Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731062122 GBSZMYIHYDIYLX-CQSZACIVSA-N 469.950 5.351 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 731080518 OEPONPPLGZIBAM-MRXNPFEDSA-N 478.574 5.081 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731304768 ASHIEOYSTBCFOU-BTYIYWSLSA-N 483.977 5.230 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc(F)ccc2F)c1 731306288 AFAQTLCGLYFHGG-QFIPXVFZSA-N 481.524 5.139 30 20 JKED CC(=O)CCc1ccc(OCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 745312673 BXIHASVZBMUOCH-GZMUKRDFSA-N 462.615 5.388 30 20 JKED N#Cc1cccc(COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc3ccccc3c2)c1 746750231 JYOLWGVXTYLMLY-MUUNZHRXSA-N 473.532 5.277 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](c3ccccc3Br)C2)cc1 750698997 XYKUWBDYYXCNAG-QHCPKHFHSA-N 478.346 5.718 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 792305537 CVTQDVMNQUAFCU-LJQANCHMSA-N 473.573 5.050 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccnc2Cl)ccc1Cl 819203453 YLZKGRAIWWLZPV-UHFFFAOYSA-N 462.358 5.022 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c(C)c1 837422752 AIEOVJILQBXUFX-WZONZLPQSA-N 476.577 5.559 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)cc1 837838416 CWDFWAYZKDSEJS-FQEVSTJZSA-N 453.564 5.356 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cccs3)C2=O)cc1 838237600 JNYPVMLZQNMVJN-JOCHJYFZSA-N 495.601 5.559 30 20 JKED COc1nn(C)c2nc(C)c(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)c(C)c12 915102451 ZJIBAZKPKDCQFJ-SFHVURJKSA-N 479.993 5.180 30 20 JKED COc1cccc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1OC 915103146 PDOPGXKKXLNEFG-INIZCTEOSA-N 461.370 5.943 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccncc2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 916136342 LUVXPFSKSMRTBQ-IUHOABAVSA-N 462.590 5.182 30 20 JKED CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 916155637 OSRVHQTULKRTSV-LFYBBSHMSA-N 489.380 5.050 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N(Cc2ccco2)C1=O 916213403 CIPBNILEQGRLLW-QHCPKHFHSA-N 493.585 5.238 30 20 JKED N#C[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 916883012 FFMFSLLZFVIDFB-QFIPXVFZSA-N 450.510 5.871 30 20 JKED CCOc1ccc(-c2nc(CC(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cs2)cc1 916900665 REZKPWNESNZWDE-SFHVURJKSA-N 483.977 5.069 30 20 JKED N#C[C@H](C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1 916911675 XMJUDDDRYJCZFR-QGZVFWFLSA-N 455.297 5.512 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cc(C)n(C3CCCCC3)c2C)cc1Cl 916938492 MSISJPKDAHOKAH-IZKUIKQZSA-N 453.970 5.633 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc2cc(C(F)(F)F)ccc2s1 917043729 OBHJCJXPJJUXDC-CTNGQTDRSA-N 492.478 6.259 30 20 JKED CCCCCOc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)cc1 917560011 PQMUXXFSEMTIJC-XNTDXEJSSA-N 469.006 6.946 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2cccc(C)n2)C1=O 917658829 RIRNNGFNXLNQJF-QHCPKHFHSA-N 488.613 5.176 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cccc(C)n2)cc1 917685261 YODKLLFYSZGZIJ-XMMPIXPASA-N 488.613 5.258 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC1CCC1 917703958 SKZYUCKLUTYKHP-HXUWFJFHSA-N 486.519 5.337 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(F)cc2)ccc1Cl 917778442 SLWXPIPOISWZDE-UHFFFAOYSA-N 476.932 5.276 30 20 JKED C=CCN(Cc1ccccc1F)C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 918382486 GRGIQUGBLPRMSE-VLGSPTGOSA-N 450.535 5.067 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 919171899 HTHQTIDOJQJLTI-UHFFFAOYSA-N 474.538 5.099 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 920016814 JFTOXMXAVBAIMC-UHFFFAOYSA-N 495.988 5.004 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\COc3c(Br)cccc3C2=O)cs1 920067167 SZKVZXFIJIEXPQ-UKTHLTGXSA-N 489.778 5.902 30 20 JKED Cc1ccc(OCc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)o2)c(C)c1 920107816 GXJCZYJJLIIDPP-IBGZPJMESA-N 470.497 5.751 30 20 JKED N#C[C@H](C(=O)CCc1nc(-c2cc(Br)cs2)no1)c1nc2ccccc2n1C(F)F 920113177 RRGVGUDQPNVLRR-LLVKDONJSA-N 492.305 5.114 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCN3c4ccccc4Sc4ccccc43)n2)cc1 920142353 VIJPZVXAOIFBLJ-FQEVSTJZSA-N 478.602 6.551 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H](C)COCC(F)(F)F)c(C)c1 921254919 UKTRFZNIBIPVOE-YLJYHZDGSA-N 493.551 5.231 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(F)cc(F)cc4[nH]3)CCC2)cc1 1786393376 CIFHBVHBPNQFNY-OAQYLSRUSA-N 457.546 5.148 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)cc2)CCC1 1787725503 XDVNLXQUCJPVQM-UHFFFAOYSA-N 491.415 5.489 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3occc3Br)cc2)CCC1 1788718168 AZWAUVRWQCZANE-SFHVURJKSA-N 457.368 5.558 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H](C)CCN3C(=O)OCc3ccccc3)cc2)CCC1 1789165441 AIJPUMWCPBBASW-SQJMNOBHSA-N 489.616 5.134 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 1789516381 SJNWWLSYYSWQPK-OKCVXOCRSA-N 490.501 5.064 30 20 JKED CC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)cc1 1790083323 CFHSBPYNHZXCNJ-UHFFFAOYSA-N 486.959 5.232 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccccc3NC(=O)OC(C)(C)C)cc2)CCC1 1790690124 HTGJNBRNSSRAJC-MRXNPFEDSA-N 469.607 5.100 30 20 JKED Cc1nc2cccc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)ccc5F)cc4)CCC3)c2s1 1790763996 QMXKLEBYXKNXFL-UHFFFAOYSA-N 484.556 5.677 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)CCC1 1790814985 JACBNMYKLUANLJ-IBGZPJMESA-N 471.557 5.492 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5ccnn5c4)cc3)CCC2)cc1C#N 1790936263 COABPFBIANFABG-UHFFFAOYSA-N 493.567 5.055 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cnc4cccc(Cl)c4c3)cc2)CCC1 1790978684 FBDLJPFTCCPQLF-UXHLAJHPSA-N 490.007 5.108 30 20 JKED COC(=O)[C@H]1CC[C@H](C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)CC1 1792123382 XMURFWXKUITDHQ-ACRUOGEOSA-N 487.600 5.041 30 20 JKED CC#C[C@@H](CC(=O)NC1(c2ccc(NC(=O)[C@@]3(C)CC3(F)F)cc2)CCC1)c1ccc(O)cc1 1792247336 AARWZEJHEOHYKA-UQBPGWFLSA-N 466.528 5.069 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(OC(F)(F)F)cc1 1795831356 CQVIYBGBXDPENN-FGMRGBIDSA-N 462.512 5.005 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCc1ccnc(-c3cc(C)ccn3)c1)C2 1798337659 RHYIBAJVXUTTBY-QYOOZWMWSA-N 486.660 5.181 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1800702631 ATGUWWHBAMMQGY-OUJCMCIWSA-N 497.680 5.517 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(-c3ccc(C)cc3)c1)C2)c1ccc(O)cc1 1802410647 ZWDHEUMTNLYPGQ-HDLKCZAISA-N 495.623 5.145 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)ccc3F)[C@H]2c2cccnc2)c(Cl)c1 1802779264 GGMATJKGZCRYRU-GAJHUEQPSA-N 497.357 5.033 30 20 JKED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CCCc3ccc(C(F)(F)F)cc3)[C@@H]2c2cccnc2)C1 1803491352 OHORQBOVPAUQEP-BWKNWUBXSA-N 485.550 5.095 30 20 JKED Cc1c(Br)ccc(F)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](C)C#N)c1 1803684052 GGQTVTZYQYJOKD-GAZPGATBSA-N 498.396 5.089 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC2(CCCN(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1804946875 QPGNCVUPGBNWFB-UHFFFAOYSA-N 451.655 5.329 30 20 JKED Cc1cccc(C(=O)N2CCCC3(CCN(C(=O)CCCC#C[Si](C)(C)C)CC3)C2)c1F 1805071633 IJAKWRHKIVTEAC-UHFFFAOYSA-N 456.678 5.030 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)c3cc4c(Cl)cccc4s3)CC2)C1 1806066737 WRHLRZZTQBSWNQ-FQEVSTJZSA-N 465.084 5.354 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1809212085 JHNJBIACYQMKGO-CDMIOBSGSA-N 499.036 5.070 30 20 JKED C=C(C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1)C(F)(F)F 1809213562 UBNVYCNSCPIJMQ-DNVCBOLYSA-N 493.938 5.388 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sc(C)nc3c2)[C@H]1c1cccnc1 1809338549 ZVVARYNANMYRKV-ZJSXRUAMSA-N 476.646 5.312 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3cccc(O)c3cc2OC)[C@@H]1c1cccnc1 1812193550 YLIRTJOSERKINK-LXFBAYGMSA-N 499.611 5.037 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1812200019 RIKVYZTYPBLOFB-AUSIDOKSSA-N 477.630 5.314 30 20 JKED CCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)[C@@H]2c2cccnc2)CC1 1812786177 GFIMUADKAININF-WNCVPGHQSA-N 493.673 5.195 30 20 JKED COc1ccc(/C=C(\C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814381184 KCAGTCGAGOZCTI-GDNFTRMYSA-N 497.599 5.018 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[nH]n1 1814571282 WMLGBAFTOKKXKD-UPVQGACJSA-N 491.542 5.463 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Br)cs2)[nH]n1 1814828635 BJGIAAPMJWQYIX-KRWDZBQOSA-N 477.428 5.308 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2CCC(c3ccc(Cl)cc3)CC2)n[nH]1 1814935032 DNGDGIJWYQJGSW-IXYJKLOSSA-N 475.058 5.348 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H]3CCCCC3(F)F)n[nH]2)cc1C#N 1815354178 QFCIQCAQPNCTTJ-FPOVZHCZSA-N 499.562 5.200 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccnc(C(F)(F)F)c2)n[nH]1 1816281542 LTUZSPMHQHYSCV-QGZVFWFLSA-N 463.504 5.122 30 20 JKED Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)c(C(F)(F)F)o1 1816468610 AEHSDOCHSLKUNQ-FQEVSTJZSA-N 499.493 5.140 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccccc3)n[nH]2)cc1C#N 1816793879 KQGACNNWDRFIFN-XMMPIXPASA-N 485.588 5.007 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccoc3s2)n[nH]1)c1cccs1 1817825158 VVAFZXZRBVFOCZ-FYCOFBDGSA-N 480.571 5.024 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)c3ccccc3c2)n[nH]1 1817964121 QLPBTPUQENHFTE-FQEVSTJZSA-N 494.393 5.181 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3occc3Br)n[nH]2)c1 1818205232 UCYRPQBJTDKZKR-KUHUBIRLSA-N 496.365 5.012 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(C(C)(C)C)cn2)n[nH]1)c1ccccc1 1818432345 OUXJIDWKAXTVOU-XUZZJYLKSA-N 498.631 5.000 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)n[nH]2)cc1 1818593259 HKKODYXODZNOQW-HSZRJFAPSA-N 486.963 5.230 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)n[nH]1 1818919050 KFQILNUUHJDSJF-NRFANRHFSA-N 497.437 5.090 30 20 JKED Cc1cccc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)cc12 1819056313 HRMDHHDGHNVLBA-AVRWGWEMSA-N 480.572 5.446 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[nH]n1 1819302211 AGFAHEKYCNRKOC-FQOCKNPQSA-N 450.558 5.113 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccc(F)cc23)[nH]n1 1819309558 CYXQGBYAVXZYNC-GBXCKJPGSA-N 477.584 5.423 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccoc3c2)[nH]n1)c1ccccc1 1819517889 AQPJXQQGDFXZBT-QPPBQGQZSA-N 481.556 5.054 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)n[nH]2)CCC1 1820090565 CTLZECCYWHFASM-HXUWFJFHSA-N 482.544 5.151 30 20 JKED Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1821108536 WCRAYGXVPGBQFG-UZUQRXQVSA-N 459.525 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4ccoc4c3)n[nH]2)c1 1821462145 UOGHMNQNRBQRBA-SBUREZEXSA-N 467.529 5.403 30 20 JKED CC#C[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@]2(F)CCCC=C2F)[nH]n1)c1ccc(O)cc1 1822469342 KYOUILJMBIQYBA-SWGGMNADSA-N 496.558 5.050 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(F)c1F 1823195493 NLBCUIRVFRXGJP-IIBYNOLFSA-N 477.515 5.243 30 20 JKED Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216139 PARDGBKUCAGNNB-YADARESESA-N 455.562 5.273 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3c(F)ccc(Br)c3C)CC2)C1 1823701214 CPZVLADGEPRFRE-NRFANRHFSA-N 477.418 5.096 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)c3cccc([C@H](C)C#N)c3)CC4)cc2s1 1824023896 LTFCZULNPLAZFV-CXAGYDPISA-N 489.626 5.161 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccnc2Cl)CC1 1825367100 JWUWYVHXJMEDDQ-NRFANRHFSA-N 492.111 5.159 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)c1 1825855780 WACXRFMMQCYOIW-FQEVSTJZSA-N 456.011 5.129 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(OC(F)(F)F)cc3)CC2)C1 1826666267 AYCZWGDTODRWLI-KXOMFBTKSA-N 476.539 5.184 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1 1827414087 QNRGTXOWEWGFAF-OAQYLSRUSA-N 465.550 5.052 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(Cl)s2)CC3)c1 1827693555 JMWKDPGORTYMQM-WFASDCNBSA-N 471.007 5.025 30 20 JKED Cc1cccc2[nH]c(C(=O)N[C@H]3CCc4nc(NC(=O)c5cccc([C@@H](C)C#N)c5)sc4C3)cc12 1827697991 WJILUSDUECPCEU-LPHOPBHVSA-N 483.597 5.100 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(OC)ccc3n2)CC1 1829066661 PROOXLMLKZWAQZ-SANMLTNESA-N 477.649 5.469 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1829520692 MEOAOIRENRIHDQ-MUUNZHRXSA-N 478.596 5.167 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1829562571 DRILUIKHLHLQRT-YKSBVNFPSA-N 475.658 5.158 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2F)CC1)c1ccc(O)cc1 1829889731 ZBSRDQBFHJQOKU-CUNXSJBXSA-N 494.582 5.101 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc1 1829955666 OPIVENWIDVOFME-CJQNAUOBSA-N 473.642 5.406 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2[nH]nc3c(Cl)cccc23)CC1 1830155391 JKQDKMZEDUHOTP-QHCPKHFHSA-N 485.072 5.371 30 20 JKED COc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)c(C#N)c1 1830292122 KBHTVBNQLTUKLI-SANMLTNESA-N 494.035 5.005 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C)c2)CC1 1830358296 KZBMICAHVZBOOJ-JWQCQUIFSA-N 497.680 5.088 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1830494287 SSYAIMJFEZXWPX-AMGIVPHBSA-N 491.632 5.513 30 20 JKED Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)cn1 1830601615 GSMFRVQESPKDKU-PMERELPUSA-N 491.635 5.337 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3ccoc3c2)CC1)c1cccs1 1830909409 MUPQCFGRUPKOIJ-UVIRAJKCSA-N 476.598 5.167 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(C)cc3s2)CC1 1830979696 IETTUKYZHCFKJN-SIKLNZKXSA-N 469.651 5.244 30 20 JKED C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1831326145 FWQDDLIXCMDLLH-SANMLTNESA-N 466.581 5.499 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1831376186 LIBCQJAVWGWXJL-VCFYHUQZSA-N 487.482 5.385 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(Cl)o2)CC1)c1ccc(O)cc1 1831925813 LNQUJZKYNFCDQR-GGAORHGYSA-N 483.008 5.069 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c(C)n1 1832092578 LTTNAZRUPBGKOU-KMRXNPHXSA-N 486.660 5.192 30 20 JKED Cc1cccc(F)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832550103 MDBQDYNUPXACIA-NLFFAJNJSA-N 461.581 5.308 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2OC)CC1 1832668872 IZFNWKNCYOVBAJ-JOCHJYFZSA-N 461.046 5.574 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)COc2ccccc2C#N)CC1 1832790799 QJBMCFALYPOWKR-XMMPIXPASA-N 491.632 5.070 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3c(C)cccc3Cl)CC2)CC1 1838373319 IULSIULMNHIYBN-JOCHJYFZSA-N 459.030 5.029 30 20 JKED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)C2)cc(C(F)(F)F)c1 1843939450 YSCVGJOMQNYFTI-YUXAGFNASA-N 473.539 5.001 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(C3CCCCC3)c(C(F)(F)F)c1)C2 1845254500 WARPHZSWHGGTPP-GOSISDBHSA-N 493.570 5.371 30 20 JKED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3Cl)c2)C1 1845542829 PLRXMDAHMHHYDG-AWEZNQCLSA-N 498.954 5.286 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 3475666 JRDJBSNIQCLOHB-VWLOTQADSA-N 492.004 5.752 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccccc1 9330989 KIJZMFXVSKVPSC-HXUWFJFHSA-N 485.588 5.560 30 20 JKED C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OC 9814224 VKQVFGLXLFQJQG-CFNZNRNTSA-N 484.763 5.804 30 20 JKED CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1cc(C)cc(C)c1 10361572 NLVQSRBKIUFWFD-AREMUKBSSA-N 466.610 5.832 30 20 JKED C[C@@H](OC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 10692797 RBGKTCUHTYOKTQ-MRXNPFEDSA-N 497.617 5.097 30 20 JKED C=CCn1c(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccccc1OC 10776197 SNFPYQYMAFDLBP-CQSZACIVSA-N 487.507 6.062 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2ccc(C)c(F)c2)cc1 11082859 UWZRPDUFUXWSNE-UHFFFAOYSA-O 472.403 5.797 30 20 JKED Cc1cc(-c2cc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)s1 14325438 KSXPFZJHVNUSQC-UHFFFAOYSA-N 473.558 5.025 30 20 JKED Cc1c(-c2ccccc2)sc2nc(SC[C@@H](C#N)CCC#N)n(-c3ccccc3)c(=O)c12 15238165 JWMMMJBSZKUXAS-GOSISDBHSA-N 456.596 5.958 30 20 JKED COc1ccc(/C=C2\N=C(SC[C@H](C#N)CCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 15241220 SCKDUDUFLSDGAH-WBRURWICSA-N 482.512 5.217 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 16171717 URRVIPURLXWSBG-VWLOTQADSA-N 469.516 5.174 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CCCC3 16715452 PFVGHLMWEOHDQC-INIZCTEOSA-N 453.633 5.259 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1cccnc1 18405353 NEDNDCYGGFLCDI-SFHVURJKSA-N 482.613 5.773 30 20 JKED C[C@@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 18515888 WGYJBKXPLKAFIC-GFCCVEGCSA-N 457.602 5.258 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)c1 21875485 MCQXBUKSUBXVBC-GOSISDBHSA-N 463.582 5.463 30 20 JKED COc1ccc(-n2c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccc(Cl)cc2)cc1 22129167 ZSKIEMZHZPCMAA-UPCLLVRISA-N 484.025 5.131 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NCCc2ccccc2)cc1 22734827 KHBIURHNODDZOF-UHFFFAOYSA-O 473.449 5.118 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)NCCc1ccc(OC)cc1 22801553 UYWRVKXRAZGADI-UHFFFAOYSA-O 460.044 5.031 30 20 JKED C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 23209192 XJSZKFSKKSBAMX-GOSISDBHSA-N 489.551 5.640 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)n(-c2cccc(F)c2)c1C 25832350 LUOPPJXKQKNLMP-UHFFFAOYSA-N 492.507 5.163 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 46810968 XIQXPOCYRFGSER-QHCPKHFHSA-N 453.542 5.155 30 20 JKED COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 104889941 IFXSPWQGLCWMQR-UHFFFAOYSA-N 457.574 5.161 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)CCSc3ccccc3Br)s2)cc1 107767300 KBSAWFFRPDRTLQ-UHFFFAOYSA-N 491.461 5.585 30 20 JKED N#C[C@H](c1ccccc1)N1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 195744554 PGSKMQVVKPYWBW-OAQYLSRUSA-N 471.413 5.068 30 20 JKED N#CC1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)CC1 195745648 WARPZRRZKNVVNX-UHFFFAOYSA-N 472.401 5.095 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)s2)cc1 217710171 AOAWQGFMCMYHKY-UHFFFAOYSA-N 453.936 5.263 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cc2)cc1 302963837 CHIZPPYRRDDTBH-QHCPKHFHSA-N 478.346 5.718 30 20 JKED COc1ccccc1N1CC[C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 303178932 ZWJJTIONYPBHLO-JOCHJYFZSA-N 457.599 5.115 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(-c2csc(C)n2)o1 409474962 LWFATWUAGHWBJB-UHFFFAOYSA-N 464.360 5.511 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 483378908 MSNMLBLSSVRKHZ-VWLOTQADSA-N 499.586 5.247 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccccc3C(F)(F)F)cc2Cl)cc1 484029979 CLCIMINTZBVHPX-UHFFFAOYSA-N 473.838 5.278 30 20 JKED Cc1ccc(C(C)(C)CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 487752984 DPEQBPPOSZOLLT-UHFFFAOYSA-N 457.599 5.305 30 20 JKED CN(C(=O)Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1)c1ccccc1 498734423 NIAMITUJHWCLIA-UHFFFAOYSA-N 475.548 5.595 30 20 JKED CCN(C(=O)c1oc2ccccc2c1CSc1nnc(C)s1)[C@@H](C)c1ccc(C#N)cc1 499370814 GWUQFSCROGUISZ-HNNXBMFYSA-N 462.600 5.980 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)o1 500877070 QJUVRAWBTOOIER-UHFFFAOYSA-N 485.367 5.515 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)c1 502243491 NTSNFMKDCFIPQG-FGZHOGPDSA-N 470.598 5.095 30 20 JKED COc1cc(CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1OCC(F)(F)F 505055127 NDQNISFNHVUFLS-UHFFFAOYSA-N 485.462 5.575 30 20 JKED C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 506294833 LIBKNHHUKMSNTH-LVXARBLLSA-N 454.574 5.289 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1Cl 506434675 XCKQWODABYCCTC-NOZRDPDXSA-N 487.987 5.142 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)s2)cc1 510247657 ZZRSVEGIPDHOGT-UHFFFAOYSA-N 474.615 5.595 30 20 JKED CSc1ncc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1-c1ccc(F)cc1 513307434 UTQKGXKBOWCOAS-CQSZACIVSA-N 470.501 5.625 30 20 JKED N#Cc1c(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)sc2c1CCCCC2 514450146 NVVUHLSPGZVFHM-UHFFFAOYSA-N 450.585 5.115 30 20 JKED CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CSCc1ccc(C#N)cc1 514561408 UEJMHZZDPZJSMI-UHFFFAOYSA-N 452.583 5.303 30 20 JKED CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 517527032 IHZXIKUVBYVYFD-AWEZNQCLSA-N 450.391 5.375 30 20 JKED Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4S[C@H](C)CC#N)c(=O)c23)cc1 518652780 CLFDZOXLOBSQEX-QGZVFWFLSA-N 474.611 5.466 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 518683054 GXXGXCGZBPPCCF-DNVCBOLYSA-N 460.397 5.306 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 518869847 JWTYVJCKVRRTDA-IBGZPJMESA-N 487.556 6.742 30 20 JKED Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2Cl)n1 520959293 XWJFIKAMVHYXSB-QGZVFWFLSA-N 482.009 5.097 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 521711459 ZUHPBSRELMEZHC-UHFFFAOYSA-N 484.984 5.873 30 20 JKED Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 523271576 CNWZYUNGCPZVFN-QFIPXVFZSA-N 476.045 6.069 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CCCn3c(=O)oc4ccccc43)cc2Cl)c1 535257480 LSLHIQUYLJECJB-UHFFFAOYSA-N 461.905 5.117 30 20 JKED N#Cc1ccccc1NC(=O)CCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 589931491 UJPQKHGECSNIPR-UHFFFAOYSA-N 473.989 5.504 30 20 JKED CC(=O)N(c1cccc(Cl)c1)c1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cs1 591415127 BVIIITKMGPMAAJ-UHFFFAOYSA-N 480.037 5.061 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)N(Cc4ccc(C#N)cc4)CC(C)C)CC3)c2c1C 603530250 AUMNVQWNDQXOTA-UHFFFAOYSA-N 461.635 5.081 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 603530295 UNFIXVLDLNZINY-JLPGSUDCSA-N 497.620 5.782 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)s2)c(C(F)(F)F)c1 603672609 OVKFDELIHDKSKT-UHFFFAOYSA-N 470.476 5.151 30 20 JKED COc1ccc(-c2csc(NC(=O)CCCOc3ccc(C#N)cc3OC)n2)cc1Cl 603731930 IBCIYVCERLCTTC-UHFFFAOYSA-N 457.939 5.150 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](c3ccc4c(c3)OCCO4)C3CC3)c2)cc1 604084690 CTHCNGKCZCYNBN-HHHXNRCGSA-N 469.541 5.376 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1C 604449308 OEHIHPRMUQUYPR-UHFFFAOYSA-N 469.570 5.647 30 20 JKED C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1cccc(OCc2ccccn2)c1 608804998 RBPUVTBZPVOINP-IBGZPJMESA-N 453.498 5.195 30 20 JKED N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3cccc(Cl)c3)s2)c(C(F)(F)F)c1 608928111 CFEWQNMKKJSUOD-UHFFFAOYSA-N 457.886 5.079 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccs1 609079648 FHXNFZCAMAQVFJ-IBGZPJMESA-N 469.950 5.278 30 20 JKED N#C[C@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1 609174927 ZSVPTMSBQTXAKU-DEOSSOPVSA-N 493.485 5.406 30 20 JKED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 609378640 ZYASQGQUMJBRLF-UHFFFAOYSA-N 475.540 5.489 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nc2sc3c(c2c1=O)CCC3 613900310 MDQKGADLOBUOSA-HNNXBMFYSA-N 479.627 5.191 30 20 JKED C=CCn1c(SCC(=O)N2CC(C)(C)[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 621171930 AHYFXJDXYCTPGW-OAQYLSRUSA-N 453.011 5.486 30 20 JKED O=C(c1ccccc1OC(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 622516961 WHCFLXNTLACKOS-INIZCTEOSA-N 469.328 5.539 30 20 JKED O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 622686878 WIZFFBGFGNFTMS-FQEVSTJZSA-N 489.431 6.333 30 20 JKED N#C[C@H](C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(-c2c(F)cccc2F)cs1 622978233 ALUKCJHDPMRVJO-GFCCVEGCSA-N 457.914 6.355 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 684255298 SHICZIXDKMOGJB-OAQYLSRUSA-N 475.662 5.279 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)cc1 725726665 URARRTUYJXQHFE-XMMPIXPASA-N 477.358 5.113 30 20 JKED Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3ccc(OCC#N)cc3)c2c1C 727859286 QWGUJEIVTYPZSJ-UHFFFAOYSA-N 460.584 5.292 30 20 JKED CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 727987491 MEURGDYYUVQMOV-NHMJEBFNSA-N 453.995 5.192 30 20 JKED CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccccc1 728033311 YDVDPOXADQMNQK-XMMPIXPASA-N 457.530 5.342 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)N3N=C(c4ccco4)C[C@@H]3c3ccco3)cc2F)c1 728200481 HYGDFTWOGAYCDF-HSZRJFAPSA-N 484.487 5.252 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCCCC#N)C1=O 728776362 BJSGMNVSNBLEKY-OAQYLSRUSA-N 485.009 5.311 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Oc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)cc1C 729109932 YXGZHKOZWKYRNJ-QHCPKHFHSA-N 483.528 5.201 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@H](c2ccccc2)C2CCC2)C1=O)NC1CC1 729145134 IGWQNLPQPWHFIS-JTHBVZDNSA-N 469.557 5.106 30 20 JKED COc1ccc(NC(=O)[C@H](OC(=O)c2cc3ccccc3n2CC#N)c2ccccc2)cc1Cl 729769524 SAQJYDSCABFVKB-XMMPIXPASA-N 473.916 5.364 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2cocn2)C1=O 730717867 SQWDALZQSXGWJT-OAQYLSRUSA-N 498.992 5.114 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cocn1)c1cccs1 730730478 VUJDBWNPBLITQB-QGPWZHNMSA-N 490.610 5.479 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730942240 JXXVYMPEVVUGPZ-MBSDFSHPSA-N 474.586 5.120 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2C)cc1 731307558 HLJKEZGPOBRBND-XMMPIXPASA-N 489.597 5.260 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cscn2)c1 731312630 NOFFCHZRXAZIHO-OAQYLSRUSA-N 480.615 5.133 30 20 JKED C[C@@H](Sc1nnc(-c2ccncc2)n1CC(F)(F)F)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 743553254 BJNNWDDUFWEGHG-OOWUWCJESA-N 487.551 5.264 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccco2)n(Cc2ccccc2)c1=S 745162832 ZUWAVBVKJTYWED-UHFFFAOYSA-N 461.547 5.276 30 20 JKED COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 746686843 NNUYTJPQOVXPCZ-XBXARRHUSA-N 471.916 5.179 30 20 JKED COc1ccc(-c2csc3ncnc(NN=Cc4ccc(OC)c(OCCCC#N)c4)c23)cc1 747356905 IXKMMYSNDGNGNV-UHFFFAOYSA-N 473.558 5.504 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1OC 750395531 PCRKLVUVYBLJQY-FQEVSTJZSA-N 450.878 5.111 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 775387744 INIMSRUSEMVFDE-GOSISDBHSA-N 469.497 5.079 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CC(F)(F)F)c1 799215047 HSULIDGGUWJLPT-FQEVSTJZSA-N 471.504 5.671 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(CC(F)(F)F)C2=O)cc1 799215587 NMLBKNLQNZAYKR-IBGZPJMESA-N 477.508 5.029 30 20 JKED C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)N(CCC#N)c1ccccc1 828582802 KUTKZDMWZVQCNC-NFBKMPQASA-N 460.603 5.157 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCN(C2CC2)CC1 837326629 NLFBMNYJZWUSDF-HSZRJFAPSA-N 497.064 5.236 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@H](C)c3cccnc3)C2=O)cc1 837835512 SKXCSGIBNKOLKC-HOYKHHGWSA-N 486.597 5.314 30 20 JKED C=CCN1C(=O)N[C@H](c2ccc3ncccc3c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839723558 CJXOGSQJQUPNIJ-JOCHJYFZSA-N 466.463 5.419 30 20 JKED C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1 904482426 DJDGCJZEJBZVOI-QGZVFWFLSA-N 466.929 5.179 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2sccc2C)cc1 914549823 IUVOAHBOWKLELR-HXUWFJFHSA-N 465.600 5.226 30 20 JKED Cc1oc2cc(OS(=O)(=O)Cc3cccc(C#N)c3)ccc2c(=O)c1-c1ccccc1Cl 914874371 YFUUNFZGNUSBBZ-UHFFFAOYSA-N 465.914 5.202 30 20 JKED COc1ccc(-c2nc(S[C@@H](C)c3nc(-c4ccc(F)c(C)c4)no3)nc(O)c2C#N)cc1 915794708 TYSCZUMUPFTKFH-ZDUSSCGKSA-N 463.494 5.080 30 20 JKED CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cs1 915991713 JNNUZWIHRCVTNY-CMDGGOBGSA-N 450.507 6.159 30 20 JKED CCOc1cc(/C=C2/CSc3ccc(F)cc3C2=O)ccc1OCCn1c([N+](=O)[O-])cnc1C 916128479 GEEJEXDALOYEEK-YVLHZVERSA-N 483.521 5.089 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(OCC#N)cc2)ccc1OCC(=O)Nc1ccccc1Cl 916152092 PNQFIZMTIORUAQ-SDQBBNPISA-N 476.916 5.165 30 20 JKED COc1cccc(Oc2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cn2)c1 916402790 HTKVOIQAUOZIPF-AREMUKBSSA-N 464.525 5.860 30 20 JKED COc1cc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)ccc1OC(=O)c1ccccc1Cl 916592600 QGSYZCJXFNEWHI-UHFFFAOYSA-N 493.972 5.100 30 20 JKED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 916721475 XVFLLOPQJGXTPZ-SZWCJKGDSA-N 489.041 5.302 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl 916902671 IKGUUKINZKLRRS-JTQLQIEISA-N 476.143 5.344 30 20 JKED CCn1ncc2c(C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cc(-c3ccccc3)nc21 916915444 DHVJVHVVYBFRSW-JOCHJYFZSA-N 459.509 5.233 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 916924615 ACPGZUSOTDCQKN-GOSISDBHSA-N 474.904 5.146 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 916946284 PKUZFWFIRAXKPM-FQEVSTJZSA-N 458.345 5.473 30 20 JKED CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916976079 IZZZHXMQXDLWJP-WOJBJXKFSA-N 484.984 5.447 30 20 JKED N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nc2cc(Cl)ccc2s1 917047451 XOFSHYDDWGHOMJ-SUMWQHHRSA-N 478.788 5.738 30 20 JKED CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 917588832 VPBSABGIXVWOLP-UHFFFAOYSA-N 469.910 5.336 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccc(C#N)cc2)c1C 917670008 ISEYQPSWNYHCFU-DEOSSOPVSA-N 486.572 5.475 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)cc1 917678270 QTAYQCWNEQPHCU-OAQYLSRUSA-N 481.574 5.250 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)c1 917678342 TUFIDDMJEOFNMN-NRFANRHFSA-N 499.589 5.065 30 20 JKED CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 918307226 PVNYLSGJSGVEKE-UHFFFAOYSA-N 476.964 5.057 30 20 JKED O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918672762 UOTNTNUGNJDQMT-CDKDAEDYSA-N 453.732 5.961 30 20 JKED O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918734544 XRLZZOYNKKATTQ-ZIAGYGMSSA-N 491.382 5.362 30 20 JKED N#CCCn1cc(C(=O)COC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c2ccccc21 919338094 VDSNAPCRYJKXIK-UHFFFAOYSA-N 484.737 5.492 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCOCC2)cc1 919904393 KBOFPGWZZISDGU-HHHXNRCGSA-N 469.585 5.611 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OCC(F)(F)F)cc1 920279314 ZRKIDJOMQVHQCX-SBUREZEXSA-N 453.464 6.166 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)cc1 920355881 QHRJFSJTFYASEM-NRFANRHFSA-N 482.993 5.414 30 20 JKED CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2[nH]c(C)c(C(C)=O)c2CC)[n+]2ccc(C)cc2)C=C1 920393141 LIUVNUALEWFWQF-UHFFFAOYSA-O 492.621 5.268 30 20 JKED CCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccc3c(c2)CCC3)cc1 920394271 KTUJZXAGZVFLSV-UHFFFAOYSA-O 458.607 5.119 30 20 JKED CN(c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1F)C1CCCCC1 920853609 CROPHLNOAHNUMO-UHFFFAOYSA-N 490.539 5.532 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnc2-c2cccc(F)c2)C1 1777774349 VYONPZCXMIAEGM-FUFSCUOVSA-N 493.623 5.008 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(N(C)C)c3ccccc13)C2 1779510600 RWCPPXQBWPQYDG-PDDLMNHVSA-N 491.676 5.026 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4C4CC4)cc3)CCC2)cc(C(F)(F)F)c1 1786055989 JPRWMFXEIGVQJL-FCHUYYIVSA-N 467.491 5.371 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc(Cl)c4)cc3)CCC2)c1 1787384949 OBPRZZXJZCJRTI-KRWDZBQOSA-N 458.949 5.424 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3ccc4c(c3)[C@@H](C3CCOCC3)CN4)cc2)CCC1 1787948008 KNWIMATUOUOZQE-HHHXNRCGSA-N 499.655 5.564 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)c4cccnc4-c4ccc(F)c(F)c4)cc3)CCC2)CCC1 1788375974 WRCHCZZYTSJNSC-UHFFFAOYSA-N 486.522 5.468 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5c(c4)CCCC5=O)cc3)CCC2)cc1 1789041184 GNFPDMGXAFJACF-UHFFFAOYSA-N 463.537 5.139 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](N)c3cccc(Cl)c3)CCC2)cc1 1789451846 UOKORJKUMXQZEP-GOTSBHOMSA-N 451.998 5.242 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccccc5)no4)CCC3)cc2)cc1 1790289643 IWUBQVKEJMTFQJ-UHFFFAOYSA-N 462.509 5.275 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CCc4ccccc4F)CCC3)cc2)c(C#N)c1 1790474925 LWLROOFJMKLEQL-UHFFFAOYSA-N 485.559 5.015 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccccc3Cl)CCC2)cc1 1790564873 PZROVIDLEQWBKN-GOSISDBHSA-N 455.986 5.208 30 20 JKED CC(=O)Nc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)ccc1C 1790747211 OMDHPFMQBLFQNK-FQEVSTJZSA-N 494.595 5.642 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])CCC2)cc1)C(F)(F)F 1791302509 MXSZTHYBZRDJKK-UHFFFAOYSA-N 481.858 5.043 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)N3C(=O)OC(C)(C)C)cc2)CCC1 1791412199 SODWFXLUVZIDOT-FUKQBSRTSA-N 481.637 5.121 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4c(F)ccnc4Cl)CCC3)cc2)c1 1792123379 XKXYXGGZTVQETD-MRXNPFEDSA-N 476.939 5.563 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cn1C 1792168480 FXVYCKNUSUAMIP-UHFFFAOYSA-N 470.573 5.054 30 20 JKED C#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccc(Br)c(Cl)c3)CCC2)cc1 1792268203 BXSWVTMGQHNVLW-UHFFFAOYSA-N 459.771 5.264 30 20 JKED Cc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(Cl)cc2C(F)(F)F)C3)c1 1800767183 GTVUEXOAZLAMSA-REPLKXPHSA-N 475.898 5.105 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccnc1 1802580095 HTRPCRKJSJPAGD-LBNVMWSVSA-N 474.649 5.198 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2csc3c2CCCC3)[C@H]1c1cccnc1 1803089178 QVINQQAGAHLPSB-BWKNWUBXSA-N 463.647 5.110 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[C@@H]1c1cccnc1 1803227523 GUPUDYZFVFWKAK-PUHATCMVSA-N 489.994 5.392 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC3(CCCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)C3)CC2)cc1 1804742618 DRGUKFYDNZHHGO-UHFFFAOYSA-N 489.019 5.171 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)C2)CC1 1806992437 IKPOVWWWQFKOFD-UHFFFAOYSA-N 496.627 5.032 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)C#Cc2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1cccc2ccccc12 1808976586 QPVJOJGTCSQYMP-PWUYWRBVSA-N 493.994 5.260 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CC[C@@H]4CNc5ccccc5C4)C3)CC2)c1 1809843819 KSUWBUFKCUMJDP-ZEQRLZLVSA-N 498.671 5.223 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1810169140 UCYSFOVLFAPJLU-ITLAICGJSA-N 483.612 5.088 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2cccs2)[C@H]1c1cccnc1 1810497816 IIJBRCKNXKNKAQ-CBQOVEMMSA-N 471.692 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1810503565 QKZMMVLGXDMYHO-ZJSXRUAMSA-N 480.052 5.465 30 20 JKED Cc1ccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cc(C#N)ccc4F)[C@@H]3c3cccnc3)sc2c1 1811730747 XJUXJXQXFSMUGQ-LVXARBLLSA-N 498.583 5.249 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1812002492 BVBMUDGAYWBCLA-VGSWGCGISA-N 476.404 5.071 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@H]1c1cccnc1 1812053602 MWIBHUHRNDMIIR-HZUJVAHNSA-N 495.929 5.165 30 20 JKED CCCCC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc([C@@H](C)C#N)c2)[C@@H]1c1cccnc1 1813869743 OZERTLMHMDJZFM-MSNAGZIKSA-N 460.622 5.245 30 20 JKED O=C(NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1)c1ccc(-c2ccccc2)cc1 1813953074 WSLIDZFZCWURER-BVRKHOPBSA-N 485.587 5.120 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2SCC)n[nH]1 1814352070 HRYVTJUYGJWBGX-IBGZPJMESA-N 455.628 5.215 30 20 JKED C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(C#N)cc2)n[nH]1)c1ccccc1 1814381258 NHMPBCMRFAMKCV-NLFFAJNJSA-N 469.589 5.100 30 20 JKED C[C@H](Sc1ccccc1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1815090426 RESQXVUAXVYGEU-CYFREDJKSA-N 487.629 5.087 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)ccnc2Cl)n[nH]1)c1ccccc1 1816045368 GASASIXVDDMRNP-WIYYLYMNSA-N 493.970 5.100 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3cc(F)cc(F)c3)[nH]n2)n[nH]1 1816222915 VHKIQPOSXMWKLH-QHCPKHFHSA-N 494.546 5.152 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)Cc3ccccc3Cl)n[nH]2)c1Cl 1816902275 HKTVVKQKKWKUET-FQEVSTJZSA-N 482.371 5.137 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C(F)(F)F)c[nH]3)n[nH]2)c1 1818209070 VLNFYUMUKNBZBZ-VLIAUNLRSA-N 484.482 5.003 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc4cnccc4c3)n[nH]2)c1Cl 1818644715 OMCZLGQLIFQVOP-JOCHJYFZSA-N 484.947 5.103 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819029159 IHQYHBBWTIHXCM-ZDUSSCGKSA-N 450.536 5.203 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CC2)[nH]n1 1819303717 ZSBDQLXIVCHJNM-UNMCSNQZSA-N 450.558 5.041 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]n1 1819386640 FOSWJQMXQYIRMZ-FBPBVXOASA-N 468.718 5.279 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)[nH]n1 1819555893 IKQDRLBXSBEPOW-KHMOSXFSSA-N 491.680 5.524 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(Cl)c2)n[nH]1 1821070389 HKJJTVFLFBSKQZ-IBGZPJMESA-N 491.817 5.325 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(-c3cnco3)c2)n[nH]1 1821186459 RUHYEOSJEPMELP-JOCHJYFZSA-N 459.550 5.139 30 20 JKED COc1cc(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c(C)c1 1821253926 QIOSIUUASYKVSA-YADARESESA-N 485.588 5.282 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3sccc3F)[nH]n2)cc(C(F)(F)F)c1 1821308704 BFROZCZOQZMFJX-QGZVFWFLSA-N 491.470 5.120 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc4ccc(Cl)cc4c3)n[nH]2)cc1 1821429450 WBAUZGOZSSAMSY-XMMPIXPASA-N 498.974 5.297 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3cc(Br)ccc3c2)[nH]n1 1821925167 NHXAOOLTZLZCPZ-YCRPNKLZSA-N 496.409 5.239 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)n[nH]1 1822579299 DXQULEMGBKFJFA-ZJSXRUAMSA-N 493.652 5.413 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(N(C)C)cc3)n[nH]2)c1 1822615400 NXVOFBGIAHCIDR-IBVKSMDESA-N 498.631 5.041 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3Cl)[nH]n2)c1 1823218128 YHYUNKROZIUPOJ-QRQCRPRQSA-N 479.943 5.449 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)CC2)c1Cl 1823781918 KMZDXMCMFLGECF-DEOSSOPVSA-N 476.020 5.177 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1Cl 1823899316 AEZJTCPAHKHZEN-QFIPXVFZSA-N 488.390 5.551 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)cc1 1824047022 PFSVZBMXEXQRHE-DFBJGRDBSA-N 494.035 5.257 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2coc(C(C)C)n2)CC1)c1ccccc1 1825419122 MYOPRXGFOBXSBN-AOYPEHQESA-N 475.633 5.229 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1)C(F)(F)F 1825574827 HIZKTOVRWBIIMQ-QFIPXVFZSA-N 477.502 5.173 30 20 JKED Cc1noc(C)c1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1825862156 VUJOZFFKMPTYJV-NDEPHWFRSA-N 495.623 5.238 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4c(Br)cccc4c3)CC2)CC1 1826683211 RKYTYJNAGZLYKG-HSZRJFAPSA-N 494.433 5.139 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Br)c(C#N)c3)CC2)CC1 1828351374 FPBZNACXLMANNF-RDPSFJRHSA-N 498.465 5.300 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1 1828668866 PPVFDJWTBPMLAJ-QHCPKHFHSA-N 451.636 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828828791 SELRYWHQBZFAEO-UPVQGACJSA-N 464.606 5.449 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2Cl)N(C)C)CC1 1828830111 LAHWNYSXTBVGCH-ZSQFBXSQSA-N 486.100 5.331 30 20 JKED Cc1ccsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)CC1 1828903796 GRMXTHBJGZMSBM-JOCHJYFZSA-N 458.744 5.341 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 1829140267 XCKQJQSJTYWCKJ-UYAOXDASSA-N 451.533 5.035 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2sccc2Cl)CC1)c1cccs1 1829443960 COMNRICZWFEOAJ-DKFQHHCZSA-N 477.051 5.135 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 1829661632 KSJKIDGYDOKBMY-SANMLTNESA-N 481.656 5.428 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)CC1 1829904044 HQMJJBRRSRBTHX-VWLOTQADSA-N 478.658 5.631 30 20 JKED Cc1cc(Br)ccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829959213 PPGUXAYBFKZERH-XMMPIXPASA-N 494.433 5.176 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)cc1O 1830480087 MFZJWQIDXDOVAD-QHCPKHFHSA-N 499.533 5.138 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)cc1 1830629335 WFVCPUREDLBJQY-AREMUKBSSA-N 490.554 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(OC)c(OC)cc2C)CC1 1830683279 DGBQHSCONRXYET-LADGPHEKSA-N 468.638 5.014 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)ccnc3c2)CC1 1830829742 GAYLIPVWTCQRLF-RUZDIDTESA-N 466.025 5.315 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccncc34)CC2)c(Cl)c1 1830864400 IVOLPARTAMQOOZ-SANMLTNESA-N 487.003 5.307 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@]2(F)CCCC=C2F)CC1)c1ccc(O)cc1 1831926949 HNAQVRVFKWEKAN-KULFAVDPSA-N 498.614 5.255 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)c1 1832610170 CRNZFOMHZJNVTN-DORXLWPQSA-N 485.049 5.382 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCc3ccsc3)CC2)cc1C#N 1832701428 GWIPVDYOEWWTGZ-VWLOTQADSA-N 493.673 5.273 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSC3CCCC3)CC2)cc1C#N 1832702945 QHGMVURHGPFNMZ-RUZDIDTESA-N 497.705 5.255 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1832825979 DMZBFVXDSLXNPG-FQEVSTJZSA-N 487.463 5.311 30 20 JKED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2CSc2ccccc2)CC1 1832828285 ZAQYDWCMMOZLAL-MHZLTWQESA-N 474.670 5.626 30 20 JKED C#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1832829378 VAEIQAZWBNSFAG-JOCHJYFZSA-N 461.433 5.058 30 20 JKED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)CC3)CC2)C1 1833051068 ANFVKIFGQQLSFY-UHFFFAOYSA-N 493.736 5.433 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(Cl)nc4ccccc34)CC2)CC1 1835345451 SHRBKRSWVHYSFR-UHFFFAOYSA-N 497.083 5.066 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)o3)C2)c1 1843459902 DIGHMAZNZOLMPG-SFHVURJKSA-N 473.960 5.358 30 20 JKED C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)C(=O)Nc1cccc(C#N)c1 9826898 XVWHAYOAUXMXOB-CQSZACIVSA-N 498.395 5.884 30 20 JKED CCOc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(OCC)cc1NC(=O)c1ccccc1 14717181 LHVAMLZTDIWNCI-GOSISDBHSA-N 473.529 5.014 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2cccc(Br)c2)[n+]2ccc(N(C)C)cc2)cc1C 15247679 GJDUGDHJPPNEEC-UHFFFAOYSA-O 483.455 5.470 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2cccc(CO)c2)c(Cl)c1 15248209 KWEQUACBLCXRQZ-UHFFFAOYSA-O 460.406 5.441 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2sc3c(c2c1=O)CCCCC3 21176407 SIKQVUAEMQTNKI-UHFFFAOYSA-N 496.683 5.259 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1cccc(C(F)(F)F)c1 22693639 XJJYKHXAUJMAFJ-UHFFFAOYSA-O 488.511 5.823 30 20 JKED Cc1ccc(C(=O)/C(=C(\S)Nc2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)s1 22728696 QTVRDGIYRHAWTE-UHFFFAOYSA-O 451.681 6.816 30 20 JKED N#CCc1ccc(OC[C@@H](O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 24096364 TVCCCKLLZHKIFX-GOSISDBHSA-N 451.548 5.095 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 25437954 ZMROPTYMXGPVNH-UHFFFAOYSA-N 460.456 5.270 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)n(C2CCCCC2)c1C 25796232 FYIRKKABXRGXPW-UHFFFAOYSA-N 496.995 5.058 30 20 JKED Cc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1NC(=O)c1ccc(Br)cc1 32244170 OSICLNANYFBFRB-MRXNPFEDSA-N 462.347 5.373 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccccc2Cc2ccccc2)CC1 32918070 ZXIBRJAZXRGZPJ-UHFFFAOYSA-N 452.514 5.252 30 20 JKED C=CCn1c(SCc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)nnc1-c1ccco1 45795688 SBHUKGSNHRIITE-UHFFFAOYSA-N 475.599 5.598 30 20 JKED CCOc1cccc2cc([C@@H](C)NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)oc12 106055300 NSJLMXBDYLKZRE-MRXNPFEDSA-N 474.517 5.045 30 20 JKED C=CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)nnc1-c1ccccc1F 195677245 WGNILSDIAFMBOA-DEOSSOPVSA-N 490.629 5.598 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(F)cc1Cl 255930258 CAFOGNIKZGEFTN-UHFFFAOYSA-N 467.353 5.220 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 409539005 ZRUDERJPYILDBI-UHFFFAOYSA-N 497.368 5.133 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 481073207 IBYRXOCLIWUDJR-DEOSSOPVSA-N 459.521 5.118 30 20 JKED CC(C)[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)S(=O)(=O)C1CCCCC1 482812995 OMNHASDGNSOGMA-UPVQGACJSA-N 473.038 5.706 30 20 JKED C=CCN(C(=O)CCSc1ccc(C)c(C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491026280 GVMQRCIGSCEDNE-UHFFFAOYSA-N 486.684 5.532 30 20 JKED Cc1cc(NC(=O)c2sccc2C#N)ccc1NC(=O)c1ccccc1I 497987600 YCZRHLRSKHOROR-UHFFFAOYSA-N 487.322 5.037 30 20 JKED CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 498008938 WULPTVHBWUYDNS-DENIHFKCSA-N 452.986 5.156 30 20 JKED Cc1ccc(-c2nc(C)c(C(=O)N3CCN(c4c(C#N)cnc5ccccc45)CC3)s2)c(C)c1 500031102 BNFQDFQYOBEZFR-UHFFFAOYSA-N 467.598 5.118 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)c2)cc1 501424422 OOSLIZZEPOFXKM-UHFFFAOYSA-N 478.552 5.020 30 20 JKED N#Cc1cc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)(F)F)ccc1Cl 503086006 PFTHICFUMIEBQV-UHFFFAOYSA-N 494.182 5.736 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 503161137 KXXLLPQEJPIDMZ-JOCHJYFZSA-N 490.357 5.356 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2cccc(N3CCCC3=O)c2)cc1Cl 503297872 QNNROSRDRCLSEY-QHCPKHFHSA-N 458.949 5.444 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1C 507762546 SNXPUOKMJFAGKA-UHFFFAOYSA-N 496.596 5.341 30 20 JKED CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)[C@@H](C)c1ccc(C#N)cc1 509595230 ZWAOZCJIVVQELY-KRWDZBQOSA-N 467.978 5.236 30 20 JKED Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)c1 510890022 LWGQEABMKWJSEJ-UHFFFAOYSA-N 468.557 5.347 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cc1 511083086 QKJVTEZVLFUIPE-UHFFFAOYSA-N 469.566 5.750 30 20 JKED Cc1cc(F)ccc1N(Cc1ccco1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 512302095 DFFAYTKCUJAGIO-UHFFFAOYSA-N 474.492 5.297 30 20 JKED C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccc1OC(F)F 512917180 HPKLFJLFIDQQCR-INIZCTEOSA-N 481.524 5.381 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 513931540 KNQDLCJCYXWFAW-UHFFFAOYSA-N 456.521 5.168 30 20 JKED C=CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 515326468 BOLDGIZOXSALSE-UHFFFAOYSA-N 474.607 5.713 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 515649673 UUSQEBVWUFDQMP-XMMPIXPASA-N 475.548 5.476 30 20 JKED CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519029261 BTEYUQAGTWOBIG-SANMLTNESA-N 466.541 5.154 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CN2CCSCC2)cc1 519434140 PLXGHSKFTCMMHL-UHFFFAOYSA-N 465.566 5.512 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 519979137 OQCTYKFVLYBGNE-UHFFFAOYSA-N 465.962 5.556 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 520584541 BDYFDZYSITYLLS-UHFFFAOYSA-N 483.572 5.150 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 521274350 WBQLODQTJVHOPP-UHFFFAOYSA-N 492.373 5.661 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 524565919 JOCHSDJEFLPNCG-CQSZACIVSA-N 462.388 6.036 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 556521693 VAOOLKULCOMAHU-LJQANCHMSA-N 467.525 5.350 30 20 JKED N#Cc1ccccc1-c1ccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 558763439 XDNRGCUDINQKLG-UHFFFAOYSA-N 474.402 5.838 30 20 JKED C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccc(OC)cc1 589833754 PUMQHNVXYSVVPX-UHFFFAOYSA-N 479.631 5.073 30 20 JKED C=CCN(C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 595989859 UGBVMMSMBUSPNF-INIZCTEOSA-N 492.992 5.019 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cn2)cc1 603689730 CEOIZJFBTYMQOF-UHFFFAOYSA-N 481.478 5.114 30 20 JKED COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)cc2)cc1 603945145 ZRLRNEJISWCGFD-UHFFFAOYSA-N 467.481 5.243 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2Cl)cc1 604027086 DALKNHMFOFOPHZ-UHFFFAOYSA-N 491.809 6.106 30 20 JKED CN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 604155872 JEQKMOLTDGUYJW-UHFFFAOYSA-N 454.313 5.254 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCc2nc3c(s2)CCCC3)cc1Cl 608922668 OHDPNLWOQIITPW-HXUWFJFHSA-N 493.032 5.018 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)c1c(F)cccc1F 608932605 QLJVZJHRHVOUSB-AUUYWEPGSA-N 459.562 5.255 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1SCc1ccco1 609061107 JWFUNRKIFBHBSC-UHFFFAOYSA-N 454.551 6.583 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)c1ccc2c(c1)OCCO2 609078990 VMTUEXLLZSNORQ-HSZRJFAPSA-N 457.530 5.490 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 609079313 VOOJGCZGLYDRGV-SANMLTNESA-N 473.548 5.798 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2Cl)c1 609079971 MQRRUBHEYWPCRR-JOCHJYFZSA-N 497.020 5.047 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 609086182 YYMKUJIYVURLLV-MUUNZHRXSA-N 493.538 5.429 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1Cl 609206186 DDZSZXNRCHSNJF-VWLOTQADSA-N 471.944 6.528 30 20 JKED C=C(C)CN(CC)C(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1F 609207801 KWALJZCWQTZGGV-UHFFFAOYSA-N 481.309 5.113 30 20 JKED COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 609339509 ZWKUBGPYFQOBPT-UHFFFAOYSA-N 454.889 5.219 30 20 JKED Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4S[C@H](C)CC#N)c(=O)c23)cc1C 609370678 NFCGAPWEGJNRAK-GOSISDBHSA-N 488.638 5.775 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 609377478 XTARSSKDQXELNZ-RDJZCZTQSA-N 476.429 5.736 30 20 JKED CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N 609377873 IRGSDOWBLAZVJG-GOSISDBHSA-N 499.592 5.386 30 20 JKED COc1ccc(CN[C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)cc1OCCCC#N 609393135 ZSHXRXNOGRBURA-AREMUKBSSA-N 452.957 6.358 30 20 JKED C=CCn1c(SCc2ccc(OC)c(OC)c2Br)nnc1-c1ccc(OC)cc1 614508007 LDWJBFNQKZZUCC-UHFFFAOYSA-N 476.396 5.212 30 20 JKED O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618300980 IDYJDIWJAUUURH-VXGBXAGGSA-N 492.420 5.338 30 20 JKED O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 619300192 NXLMVRQBDSNTNV-UHFFFAOYSA-N 463.990 5.181 30 20 JKED N#C[C@H](C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc2cc(C(F)(F)F)ccc2s1 642282255 XVOLXZVVLCACFE-QGZVFWFLSA-N 495.438 5.194 30 20 JKED Cn1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1-c1ccc(Br)cc1 726322282 UCZBMZCRUJANTR-OAHLLOKOSA-N 491.172 5.723 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CC[C@H](C)OC 726393392 ODCRAZUSJOYLAW-WMZHIEFXSA-N 467.635 5.251 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CC(C)C)C2=O)cc1 726406057 HUDYFQFCVNLDQW-HXUWFJFHSA-N 454.983 5.136 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccc(C)s2)c1 726411660 KGJLCBURXHICKK-HSZRJFAPSA-N 489.622 5.207 30 20 JKED COc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(C3CCCC3)C2=O)c(OC)c1 726422216 UIKROGSMBNOWOJ-PUHHMSNFSA-N 487.647 5.098 30 20 JKED COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/[C@H](C)c1cccs1 726423319 YWSZRKOPRKFJBN-CKDLXSCCSA-N 486.446 5.091 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)[nH]c2C)[n+]2ccc(Cc3ccccc3)cc2)c1 726572780 OCVNSOBXKNZELA-UHFFFAOYSA-O 464.614 5.814 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(C(CC)CC)cc2)c1 726573469 FQBFZUUWPHXHJE-UHFFFAOYSA-O 486.617 6.399 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H]2CCc3cc(C)ccc32)cn1 726893274 XWPCJHNCQYMTTM-DHIUTWEWSA-N 486.597 5.046 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1NC(=O)c1cccs1 726937125 ASKRVRAMOQDILJ-UHFFFAOYSA-N 454.511 5.620 30 20 JKED CCN(Cc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1)C(=O)C(F)(F)F 727804871 OFKDEZJHXWBABC-UHFFFAOYSA-N 497.521 5.244 30 20 JKED O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc(F)cc1C(F)(F)F 728122412 MTICRMJNITYYDD-UHFFFAOYSA-N 465.369 5.022 30 20 JKED Cc1cc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c(C)n1-c1ccc(C#N)cc1 728270186 HNJCCPNAFODWCV-UHFFFAOYSA-N 466.516 5.538 30 20 JKED Cn1c(Cl)nc(Cl)c1/C=C1/CN(c2ccccc2)C/C(=C\c2c(Cl)nc(Cl)n2C)C1=O 728439882 GMSRSFFBVJYZOC-QRBCZBMESA-N 497.213 5.324 30 20 JKED C#Cc1cccc(N(C)C(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)c1 728537289 KCBVGZMPJDNXPB-UHFFFAOYSA-N 459.354 5.052 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(F)(F)F)cc1 728778794 FSROJDJOJSURBJ-IBGZPJMESA-N 490.507 5.239 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2ncccc2C)C1=O 729631554 QHSYOXKHUYFCBZ-HSZRJFAPSA-N 488.613 5.176 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c1 730530181 PVXMPQOQGXQCIM-IBGZPJMESA-N 472.408 5.134 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 731067738 GIBDTXJFCYSODI-AWEZNQCLSA-N 471.991 5.511 30 20 JKED O=C(COC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)c1ccc(F)cc1F 731101554 FULCQPMOXWJDGB-UHFFFAOYSA-N 495.738 5.195 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCCC2)C1=O)Nc1cccc(O)c1 731308857 QZIHFSGAVFHMMT-LJQANCHMSA-N 461.946 5.088 30 20 JKED Cc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N\[C@@H](C)c1cccs1 731311724 GYHDEYPEWPMBKD-SHZNUGFISA-N 479.627 5.352 30 20 JKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(CC#N)cc1 743246758 ORFJKFQZZJFBAY-UHFFFAOYSA-N 459.502 5.048 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 744935916 JIHXUYRZDDDURE-NSHDSACASA-N 450.734 5.731 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCOC2CCCC2)c1 747044581 VHBGMWMGXMPFEY-HSZRJFAPSA-N 499.608 5.144 30 20 JKED COc1cc(C(=O)/C=C/c2cccc(OCc3ccccc3F)c2)ccc1S(=O)(=O)C(F)F 747067636 ZKZRQCPMFGHLRI-PKNBQFBNSA-N 476.472 5.306 30 20 JKED CCCCCCCCc1nnc(NC(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)s1 747973532 OAWZSARSMDVMOC-UHFFFAOYSA-N 463.673 5.237 30 20 JKED CCCCn1c(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nnc1[C@H](CC)N(C)C 764722988 COAURWWBVCLTTG-RAGBYUADSA-N 455.672 5.064 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccc2F)c1 837359450 GZFBRIAHVLGLRI-JOCHJYFZSA-N 499.514 5.273 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2F)C1=O)Nc1ccc(F)cc1F 837544064 YCQIYXSVJAZZGY-NRFANRHFSA-N 469.488 5.264 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(C2CCN(C3CC3)CC2)C1=O)Nc1ccc2ccccc2c1 837553129 YGELMUKNBWDMSW-SANMLTNESA-N 498.652 5.427 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CC(F)(F)F)C1=O)Nc1ccc(F)c(Cl)c1 838576017 GZUBDWDAEOJQSZ-HNNXBMFYSA-N 495.832 5.280 30 20 JKED COc1ccc(-c2nc(Cc3noc(-c4ccc(COc5ccc(C#N)cc5)o4)n3)co2)cc1 904333219 YQSLUHBYBUKWHR-UHFFFAOYSA-N 454.442 5.035 30 20 JKED CCCn1c2ccccc2c2nnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)nc21 914531144 UXZFEHIOGQDAKY-GOSISDBHSA-N 484.610 5.482 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)CC1 914850277 JHODKFCTDICRAY-NTMALXAHSA-N 464.978 5.168 30 20 JKED N#C[C@@H](C(=O)COc1ccc(Br)cc1Cl)c1nc2ccccc2n1C(F)F 915107317 PEHQAOQZCPBNNK-NSHDSACASA-N 454.658 5.103 30 20 JKED Cc1cccc(-c2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2[C@@H]2CCCC[C@H]2C)c1 915795720 IASWUCXTAYLAPO-ZJSXRUAMSA-N 460.651 5.909 30 20 JKED Cc1cc(C)c(NC(=O)/C(=C\c2csc(-c3ccccn3)n2)C(=O)c2ccccc2)c(Cl)c1 915988595 WXGWFEOVZLVZEI-ZHZULCJRSA-N 473.985 6.380 30 20 JKED COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2ccccc2F)cc1 916205131 HCAMNYLJHABIPN-JOCHJYFZSA-N 499.514 5.273 30 20 JKED CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 916213089 YJGAKJKEXCCDRV-LJQANCHMSA-N 463.525 5.774 30 20 JKED FC(F)Oc1ccc(-c2nnc(S)n2N=Cc2cc(Br)ccc2OC(F)F)cc1 916333207 FZAAJDVAEYFPCS-UHFFFAOYSA-N 491.264 5.081 30 20 JKED N#C[C@@H](C(=O)COc1ccc(C2SCCCS2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847084 LCHQBAKGCZXRMK-KRWDZBQOSA-N 497.667 5.400 30 20 JKED COc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Oc3ccccc3)cs2)cc1 916911228 WODHZQHEMFCOQK-FQEVSTJZSA-N 469.522 5.572 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1Cl 916941102 OYGSHDRIGQXTCY-HNNXBMFYSA-N 492.746 5.591 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 916946551 YLLCQRGPGDTEEP-INIZCTEOSA-N 497.165 6.235 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 916954529 ISQYSNBUGKTFAM-XDHUDOTRSA-N 467.573 5.293 30 20 JKED CC(C)(C)OC(=O)NCCCC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995336 FAVKYJBGFBJRND-AWEZNQCLSA-N 454.379 5.598 30 20 JKED COc1cccc(CO[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 916995763 FJHDRXBUKMRXMP-FZKQIMNGSA-N 461.370 5.907 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1nc2cc(Cl)ccc2s1 917045947 DNIJTDWPCWSGKX-AWEZNQCLSA-N 476.772 6.721 30 20 JKED CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)C=C1 917612262 MWQDYYATPUIXOU-UHFFFAOYSA-O 499.660 5.873 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c1 917669751 UNENWMIUEFJBGN-QFIPXVFZSA-N 480.540 5.137 30 20 JKED COCc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2)c1 917674747 PNJRQBGMNJMBRY-QHCPKHFHSA-N 477.561 5.133 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(C)n2)C1=O 917675557 ONBZVAFSXYKAKX-JOCHJYFZSA-N 495.004 5.213 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccc(Cl)s1 917704692 XHWHILFTDGNNMH-IBGZPJMESA-N 498.992 5.573 30 20 JKED C=CCn1c(SCC(=O)Oc2ccc(NC(=O)OC)cc2)nnc1-c1ccc(Cl)cc1Cl 918602905 QBVLLEFOYISYDT-UHFFFAOYSA-N 493.372 5.314 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 919825720 RUJLDUIIXOHHEC-UHFFFAOYSA-N 481.961 5.041 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nncn3-c3cccc(Cl)c3)n2)cc1 920140848 CLUGHEJEXXFXIX-GOSISDBHSA-N 481.990 5.021 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 920175979 OLBJFXKWSUONHL-OSPHWJPCSA-N 488.588 5.431 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc(-c2ccncc2)cs1 920266853 ACAWCJPTLDNVJS-RDPSFJRHSA-N 476.561 5.006 30 20 JKED N#C[C@@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1nc(-c2ccncc2)cs1 920268867 RXEZFWSKNPQJTJ-IBGZPJMESA-N 464.344 5.376 30 20 JKED C[C@@H](OC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1C#N 920672032 QSLCLEZOZHRUKJ-HUUCEWRRSA-N 469.950 5.059 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)n1 920766811 BYZZYRNXAYXOND-VZEGMYIASA-N 469.522 5.113 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)OC(C)(C)C2)ccc1Cl 920887987 JGHAIKXRNHOUOK-MRXNPFEDSA-N 497.444 5.014 30 20 JKED N#Cc1ncccc1SCc1nc(O)c2c(-c3ccc(Br)cc3)csc2n1 1643924830 NPNCHAVNUDPQOH-UHFFFAOYSA-N 455.362 5.385 30 20 JKED C[C@@H](C(=O)Nc1ccc(C2(NC(=O)C/N=C/c3ccco3)CCC2)cc1)c1ccc(Cl)cc1 1785987471 AXNANKYMKSXZQR-GBYSFBBLSA-N 463.965 5.290 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cnn(C(C)(C)C)c3Cl)CCC2)cc1 1786364670 VTQDXQROXGUMMZ-UHFFFAOYSA-N 473.017 5.022 30 20 JKED C[C@@H](c1ccc(CC(=O)NC2(c3ccc(NC(=O)C4(C#N)CC4)cc3)CCC2)cc1)C(F)(F)F 1787880101 NQMYDMLSRZENHG-KRWDZBQOSA-N 469.507 5.333 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3ccnc4ccc(Br)cc34)CCC2)cc1 1787888832 DYDASGJZMJYELJ-UHFFFAOYSA-N 477.362 5.049 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CNc5ccccc54)cc3)CCC2)c1Cl 1788047293 OWSHQCMTBLUATB-QFIPXVFZSA-N 470.960 5.169 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2)CCC1 1788982295 GSSWHDMNJYDHNW-MRXNPFEDSA-N 466.969 5.370 30 20 JKED N#Cc1cc(CC(=O)NC2(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CCC2)ccc1F 1789004428 HOKKDDKZIAYLIB-UHFFFAOYSA-N 467.500 5.434 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4cccc(Br)c4[nH]3)cc2)CCC1 1789328949 MYUJYSDZKPQGOA-INIZCTEOSA-N 496.405 5.269 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccc4cncn4c3)cc2)CCC1)c1ccccc1 1789365621 XTARZTVZAHDPAR-MHZLTWQESA-N 476.580 5.279 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Br)cc4cn[nH]c34)cc2)CCC1 1789375075 INTCSNPCWXADEQ-OAHLLOKOSA-N 481.394 5.285 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1789454489 ZKIWRWSGDUFBLK-NZQKXSOJSA-N 481.637 5.146 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1789577918 WCXBPUNVIZTSIX-UNNDTZEGSA-N 475.976 5.290 30 20 JKED C=CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc4occ(Cl)c4c3)cc2)CCC1 1790089368 UPSAREIUICUBHN-INIZCTEOSA-N 452.938 5.425 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3nn(C)c(C)c3Br)cc2)CCC1 1790159374 ABLZCYFNRSDQLD-LJQANCHMSA-N 485.426 5.007 30 20 JKED CCCC(=O)Nc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H](C)ON=C(C)C)cc3)CCC2)cc1C 1790566661 YDDBJDMHUUTKMA-HXUWFJFHSA-N 492.620 5.282 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)CCC1 1790812628 GIDOEMDYCQTWFE-HSZRJFAPSA-N 491.613 5.234 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5ccc6ncccc6c5)CCC4)cc3)c2c1 1790835220 XIMZIZGCTFKJFC-UHFFFAOYSA-N 486.535 5.044 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)c3c(C)nc4ccc(F)cn34)cc2)CCC1 1790881334 UUSQWQFEACJOFY-UHFFFAOYSA-N 462.569 5.522 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)/C(C)=C/c3ccc(OC)cc3)cc2)CCC1 1791121144 MRFTXGNSHRTHNV-HTXNQAPBSA-N 450.604 5.152 30 20 JKED C[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(C2(NC(=O)CCC#N)CCC2)cc1 1791479796 JTLZNUNPWQTNDV-KRWDZBQOSA-N 468.395 5.066 30 20 JKED C=C(C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2)CCC1)C(F)(F)F 1791518171 XAUUITMBJZYDSC-LJQANCHMSA-N 497.558 5.178 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cnc4ccoc4c3)CCC2)cc1)c1ccc(O)cc1 1791646312 KRVCCGIRRDCSLW-OAQYLSRUSA-N 493.563 5.478 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1791730325 ALTWSYQOTLLGQU-UHFFFAOYSA-N 480.568 5.764 30 20 JKED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CCC[C@H]3C)CCC2)cc1 1792337556 ZRZZOQSWWMNSDR-UAAMZHRGSA-N 481.637 5.026 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1ccccc1Br)C2 1792574586 HWHJESSTXFDBAM-TZQMITOMSA-N 459.428 5.093 30 20 JKED C=CCCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C2 1792575215 XZWJMENIGDUSBH-LILSUDLASA-N 473.455 5.183 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3ccccc3c1Br)C2 1798338005 MPUFAZRQOLRJNM-WOZUAGRISA-N 481.434 5.623 30 20 JKED CC#CC[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C/c1c[nH]c3cc(OC)ccc13)C2)c1ccccc1 1798554626 RFQUMEIPCQXLAR-JLNUAJCKSA-N 495.623 5.025 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]c2ccoc2c1-c1ccccc1 1799114651 HADXCNXGBFNHEV-WKCHPHFGSA-N 459.590 5.672 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)cc(C(F)(F)F)c1)c1ccccc1 1800740871 LDPNCSJTIQMKIR-ZFFYZDHPSA-N 493.529 5.026 30 20 JKED Cc1ccc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(OC(C)C)c(C#N)c3)C4)sc2c1 1801086319 WCRJDQUBMCLYSJ-NUNAXRQHSA-N 487.625 5.434 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccnc1 1802501746 AYBCJLNQONKJET-REWPJTCUSA-N 470.013 5.056 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1804172832 HRHTWNBBRGNPRC-NLFFAJNJSA-N 496.032 5.234 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@@H]1c1cccnc1 1810175025 OOXMMJCGAUUETH-VDKIKQQVSA-N 486.641 5.293 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)COc2cccc3ccccc23)[C@@H]1c1cccnc1 1810492117 JFAXINLELMLDQR-RBJSKKJNSA-N 485.628 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@H]1c1cccnc1 1810494096 CSMLAILSPFOKSH-REWPJTCUSA-N 476.646 5.312 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2sccc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811099836 UWIWIYBVGLEAFT-FIXSFTCYSA-N 492.044 5.313 30 20 JKED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc4scc(-c5ccccc5)c4[nH]3)[C@@H]2c2cccnc2)C1 1811305850 XBSHLOIFJWZLNV-IDISGSTGSA-N 496.636 5.577 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c1 1813868863 SJRUFCWNZOZIKZ-NFTQTCPJSA-N 478.596 5.219 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc3c2CCCC3)[C@H]1c1cccnc1 1813876748 QVFSPCWWRNBSRE-SHQCIBLASA-N 457.618 5.048 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@H]1c1cccnc1 1814110094 CPDHHKCLYUWMLF-FIBWVYCGSA-N 473.661 5.474 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)sc2C1 1814711593 QEROZZFPLAHYHM-SDSLYQAOSA-N 490.673 5.202 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)c3)[nH]n2)c1 1814740169 ATKYEFGSNDADSZ-JOCHJYFZSA-N 495.505 5.239 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c(F)cc(Cl)cc2Cl)[nH]n1 1815247091 WBBKWKWXQPGGPF-MAUKXSAKSA-N 473.401 5.116 30 20 JKED CC(C)(C)c1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)ccn1 1816108445 SVLSQMDMONHOIL-NRFANRHFSA-N 490.995 5.247 30 20 JKED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Br)cccc2-c2ccccc2)[nH]n1 1816747744 QWWYJHYUGPKLQY-HXUWFJFHSA-N 492.377 5.059 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)n[nH]1 1818985617 VQKHTBAKOFRATK-FQEVSTJZSA-N 471.483 5.019 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)[nH]n1 1819305304 HRSOOVPEHOMTPL-XMSQKQJNSA-N 478.984 5.081 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(N(C)C)cc2)[nH]n1 1819556812 MLKUIJIRKYNMMR-HSZRJFAPSA-N 465.642 5.093 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ncccc2C(F)(F)F)n[nH]1 1819898716 SZRVBDOYHURPSV-QGZVFWFLSA-N 463.504 5.122 30 20 JKED CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(CC#N)cc2)n[nH]1 1821181353 JFAQTWSBLKTHRV-QFIPXVFZSA-N 491.979 5.148 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(F)s3)[nH]n2)cc(C(F)(F)F)c1 1821308702 BDJTVDVLOXHSQZ-MRXNPFEDSA-N 491.470 5.120 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]n1 1821924615 FEZIIKMFYJBZHS-UUOWRZLLSA-N 459.594 5.335 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)[nH]n1 1822393690 BEGNEYVEGLDPNR-UHSQPCAPSA-N 497.643 5.079 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1 1822584787 BNYCWROVHHZDLC-FQEVSTJZSA-N 460.500 5.236 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(Br)s2)n[nH]1 1822728045 NSDHNQDCIVKSBB-JCECQIOLSA-N 477.428 5.151 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216350 SIIFVYFMKQKUFE-HJPURHCSSA-N 491.979 5.318 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)Cc3ccc(F)cc3)[nH]n2)c1 1823217751 XEWMNIYPSJXQPN-MPCDZSKCSA-N 487.579 5.361 30 20 JKED Cc1c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(C#N)cc3)[nH]n2)cccc1C(F)(F)F 1823290174 XQWWJLOFBUUHPB-QFIPXVFZSA-N 495.505 5.157 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(Cl)c2Br)n[nH]1 1823313317 ZATNILVLABSUDF-GUYCJALGSA-N 479.806 5.344 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C1 1823701206 CNQSJZKJNYPMEM-MHZLTWQESA-N 458.602 5.678 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ncccc23)CC1 1823754793 CDDOCNIJTWQDGZ-DEOSSOPVSA-N 464.654 5.108 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)cc3F)CC2)c1 1823901696 WKATVKNWOWWHRH-AVRWGWEMSA-N 481.999 5.653 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(Cl)c3C)CC2)c1 1823915768 HYQSGVRURYDXOT-RUZDIDTESA-N 480.008 5.076 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1823978260 YBZHTTNBPLXAKJ-UWJYYQICSA-N 452.973 5.275 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1824322779 FDKCVGBBRIEYPJ-AJTFRIOCSA-N 487.644 5.188 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1824957890 FYXJWVRLHFKOMA-QHCPKHFHSA-N 491.657 5.580 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)cc2C)CC1 1824961682 XUTQIVJNODPYTQ-NRFANRHFSA-N 469.478 5.454 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1826780453 IKTMMKFVPHNATG-BELIEFIBSA-N 485.619 5.196 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)CC1 1827680458 ZWBVRPDZJNQSEM-NEQMZLFVSA-N 496.673 5.619 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3nccnc3c2)CC1)c1ccccc1 1828279016 PILKWAXBRVZIBX-GGXMVOPNSA-N 494.639 5.060 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3c(Cl)cc(C)nc3c2)CC1 1828497974 GHOWVNUPACJRMK-RUZDIDTESA-N 466.025 5.233 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 1828821397 MPTBCWRSYRSPJX-CLJLJLNGSA-N 487.084 5.887 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1828824066 JPIMVSRMWASRQH-DHIUTWEWSA-N 488.028 5.179 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1828826702 AOYYLQJGCRAFTF-OFNKIYASSA-N 462.556 5.707 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1828826832 CPWVLHPJUSEEGW-NZQKXSOJSA-N 471.573 5.044 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2ccnc(C)c2)CC1)c1ccccc1 1829030232 MRRPKTZEINUYDZ-URLMMPGGSA-N 485.672 5.140 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C(F)(F)F)c[nH]3)CC2)c1Cl 1829690110 LDOXUZTVPUSYSN-FQEVSTJZSA-N 492.929 5.106 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 1829757078 TUHAWKYKYXAXAX-UUOWRZLLSA-N 469.029 5.176 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCC=C(C)C)CC1)c1ccc(O)cc1 1830258894 LLOWQJRVASFHNY-BDYUSTAISA-N 464.650 5.255 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 1830299264 ZOVHRNKLGPHFOU-SCDRESIJSA-N 491.717 5.148 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)CC1 1831695336 ICHRKBNMCVBTSU-UKQDAHLNSA-N 463.666 5.763 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)CC1 1831859207 HODOEJFOXDHEAU-XMMPIXPASA-N 493.648 5.163 30 20 JKED CC#C[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CSC2CCCC2)CC1)c1ccc(O)cc1 1831921398 OKZRPTFREZVNEV-IGKIAQTJSA-N 496.717 5.185 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC(F)(F)F)CC2)cc1C#N 1832703197 UZECHMFCVQBQCA-JOCHJYFZSA-N 493.570 5.311 30 20 JKED N#CCC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)CC2)CC1 1837637202 YQSZLCCOVCKPKJ-UHFFFAOYSA-N 497.595 5.158 30 20 JKED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccccc2Oc2cccc4ccccc24)C3)c1 1844895463 PYKSZWNEWRSYKU-UHFFFAOYSA-N 487.559 5.635 30 20 JKED C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccccc1 9330987 KIJZMFXVSKVPSC-FQEVSTJZSA-N 485.588 5.560 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1 9448657 FMWMRMYPEGXRFG-UHFFFAOYSA-N 452.889 5.534 30 20 JKED Cc1cc(Br)c(NC(=O)CSc2nc(C)cc(C)c2C#N)c(Br)c1 10267262 GMTKNYJJKRZEET-UHFFFAOYSA-N 469.202 5.134 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(CO)c1)c1ccc(F)cc1F 11113572 LLJGZNDGGFLEEX-UHFFFAOYSA-O 481.516 5.110 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)Nc1cccc(C(F)(F)F)c1 11128100 CTSWVZOKCCUANU-UHFFFAOYSA-O 474.484 5.514 30 20 JKED CCOc1ccc(N2C(=S)N[C@H](c3cccc(C#N)c3)C(C(=O)Nc3cccc(OC)c3)=C2C)cc1 11207043 SUTNTBXZYPVJPB-AREMUKBSSA-N 498.608 5.314 30 20 JKED C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 14497846 LRTFUWTVGGLLHG-QZTJIDSGSA-N 474.586 5.102 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2C)c1 15975837 GUFGORDGDXIRDC-UHFFFAOYSA-N 458.942 5.421 30 20 JKED C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2sc3c(c2c1=O)CCCCC3 17656375 MAJQFKLTHQHKPB-ZDUSSCGKSA-N 470.645 5.878 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nc2cc(-c3ccccc3)sc2c1=O 18519621 CDWNSBZRMZSIKT-AWEZNQCLSA-N 483.565 5.709 30 20 JKED CC(C)CCn1c(SCC(=O)Nc2ccccc2SCC#N)nc2cc(Cl)ccc2c1=O 22151160 LDCMAKWQZHHOMY-UHFFFAOYSA-N 487.050 5.442 30 20 JKED N#CCSc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1 22151906 QOBFPULPMFCMMS-UHFFFAOYSA-N 499.061 5.902 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 22693633 GXWOQDHNDYAWPC-UHFFFAOYSA-O 488.511 5.823 30 20 JKED C=CCn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccc(OC)cc1 26038117 GQMIXXCSSBGECR-FQEVSTJZSA-N 487.610 5.232 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)Cc2coc3ccc4ccccc4c23)nc1C 30672487 PLRBSKAJGCCPJR-UHFFFAOYSA-N 461.572 5.265 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 301324176 GRKVTDJZCQGFHB-UHFFFAOYSA-N 489.912 5.021 30 20 JKED Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 302981278 VIAQYWCWKLWSND-QFIPXVFZSA-N 489.000 6.540 30 20 JKED COc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1 303373597 KRAUNNFDZRDDGR-IBGZPJMESA-N 471.340 5.584 30 20 JKED C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C2CC2)o1 480895832 LUYXWVFHOZYOOD-HXOBKFHXSA-N 487.531 5.122 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1SC 482879012 OSXRFBAQWKTPDP-UHFFFAOYSA-N 463.515 5.223 30 20 JKED N#CCCCOc1cccc(NC(=O)c2cccnc2SCc2cccc(Br)c2)c1 488462652 WNKKVSZKBYOCRS-UHFFFAOYSA-N 482.403 6.071 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 490404361 YKMCKNDHGUIRLK-UHFFFAOYSA-N 496.596 5.245 30 20 JKED Cc1ccc(C[C@H](C#N)Sc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc34)o2)cc1 494139019 UCWKJORBZLTDMB-OAQYLSRUSA-N 479.565 5.030 30 20 JKED C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 498914843 GHVJRPQUYCOHJN-CQSZACIVSA-N 479.408 5.889 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 499707380 NGDXLPXQPSQLSW-INIZCTEOSA-N 486.808 5.128 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)C3(c4ccc(Br)cc4)CCCC3)CC2)c1 501724352 RTVAKEIHFVSTMV-UHFFFAOYSA-N 480.406 5.010 30 20 JKED C=CCn1c(SCc2csc(-c3ccc(C(N)=O)cc3)n2)nnc1-c1ccc(Cl)cc1 505864931 SPKDKLXULYHCEP-UHFFFAOYSA-N 468.007 5.299 30 20 JKED C[C@H](Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)Nc1ccccc1C#N 507554950 SBRVENGVPCOQET-HNNXBMFYSA-N 452.436 5.268 30 20 JKED N#Cc1ccccc1CSCCNC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 508115963 KATCPJNQCSIOPO-UHFFFAOYSA-N 481.625 5.203 30 20 JKED COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 508254891 XDUGNZBRXVTXRU-XMMPIXPASA-N 487.556 5.581 30 20 JKED COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1[N+](=O)[O-] 509674775 DGOJZFIRZPHEPR-UHFFFAOYSA-N 498.499 5.165 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1cccc(NC(=O)c2ccccn2)c1 510652447 WTFCDKTYAKKJPW-UHFFFAOYSA-N 477.524 5.628 30 20 JKED CCN(CC)[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccsc1 511504936 LJICYIPSPFVKCE-QHCPKHFHSA-N 461.591 5.077 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)CC2)c1 512521532 GNHDSVFBEAYMAC-QHCPKHFHSA-N 450.970 5.113 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)N2CCCc3ccccc32)cc1Cl 513063078 JAQFQZAPIXOAEU-QFIPXVFZSA-N 458.949 5.096 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)cc1 517731640 HYAGHMWUAWIVEJ-UHFFFAOYSA-N 461.606 5.700 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@H]1CCc1ccccc1 518675630 KJMXUFAXDVRVIT-IBGZPJMESA-N 475.536 5.273 30 20 JKED Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 553342498 SARCYIGLARBWQG-ZDUSSCGKSA-N 460.390 5.451 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c1 573025553 QDJRSOSBEPYIIE-UHFFFAOYSA-N 452.392 5.187 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1 589944771 QXAJKWORJJEUMC-UHFFFAOYSA-N 452.605 5.577 30 20 JKED N#Cc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 598602704 ANMDLKRQWGICRL-UHFFFAOYSA-N 456.354 5.848 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 603638081 NJOCWHCSXPFIMY-UHFFFAOYSA-N 490.401 5.553 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cs1 603764346 MHNBIGZBDOZLEI-UHFFFAOYSA-N 458.568 6.055 30 20 JKED COc1cc(OC)c(C2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c34)CC2)c(OC)c1 603847930 FJBIAINNMFHVAZ-UHFFFAOYSA-N 455.917 5.309 30 20 JKED COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(C)C)cc1 604138748 HGKVYHHURVZPDC-XMMPIXPASA-N 477.948 5.465 30 20 JKED CCN(Cc1cccc(Br)c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604499420 AEBJLJDDESEIMC-UHFFFAOYSA-N 451.324 5.562 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(I)cc3Cl)cn2)c1 609057807 POHAFQDGSGHHKX-UHFFFAOYSA-N 475.673 5.256 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCc4[nH]c5ccc(Br)cc5c4C3)o2)cc1 609070660 LDYYIICYWROJIZ-UHFFFAOYSA-N 476.330 5.173 30 20 JKED Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)[nH]c2c1 609079283 UDSVYAOMGFEWQX-AREMUKBSSA-N 465.557 5.999 30 20 JKED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080745 UEGZSKPPNIGGIK-UHFFFAOYSA-N 479.964 5.862 30 20 JKED CC[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cccc(Cl)c1 609084140 CJOJVMBVNHABQW-JOCHJYFZSA-N 482.367 5.650 30 20 JKED CCOc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1OCCOc1ccccc1 609185355 LAGDNHKZUHUGJN-UHFFFAOYSA-N 486.568 5.098 30 20 JKED COc1cc(OC)c(C2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c(OC)c1 609209214 WEEZWNKYHYAAMG-UHFFFAOYSA-N 487.556 5.788 30 20 JKED CN(C(=O)c1cc2ccccc2n1CC#N)c1cccc(NC(=O)c2cc3ccccc3n2CC#N)c1 609216515 LNVCMDFHEWTBSF-UHFFFAOYSA-N 486.535 5.172 30 20 JKED COc1cccc(/C=C(\CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2nc3ccccc3s2)c1 609377465 VUHGDNSWMDEYMV-ORTNRGLGSA-N 499.661 7.126 30 20 JKED Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618304770 ZCBFHEKDCADFRH-CHWSQXEVSA-N 482.421 5.651 30 20 JKED O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618538001 GBUBYOPQUOJJMS-STQMWFEESA-N 477.371 5.900 30 20 JKED C=CCN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 618694777 FMTVHOCMUYFLHJ-CYBMUJFWSA-N 499.416 5.637 30 20 JKED COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 620552316 OIZDLNSIEBEEAZ-ZWOKBUDYSA-N 492.435 5.890 30 20 JKED CC(C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/CCc1ccccn1 726112737 XFUFBAYMXYXJME-UJZDEDLLSA-N 492.567 5.018 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(CC[C@@H](C)OC)C2=O)c1 726393186 MZGVMAHXUVVFIH-KOSHJBKYSA-N 491.613 5.234 30 20 JKED N#Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2C2CC2)cc1Cl 726405104 BRLKKKLSBBSTTI-JOCHJYFZSA-N 474.973 5.488 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CCC)C1=O 726407469 SCQPHTSYSNAAQR-OAQYLSRUSA-N 485.009 5.371 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccccn2)cc1F 726414971 DMYJNCIRQMCZLJ-OAQYLSRUSA-N 498.967 5.043 30 20 JKED C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1Cl 727264684 UXQDBDQJVIXAJZ-SFQUDFHCSA-N 462.358 5.754 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)c3ccccc3Nc3ccc(SC(F)F)cc3)CC2)nc1 727409533 CAPAYOKZKPMROU-UHFFFAOYSA-N 479.556 5.410 30 20 JKED Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 728266527 PUWVCNLQWALRML-UHFFFAOYSA-N 464.573 5.511 30 20 JKED COc1ccc2oc(C(=O)/C=C/c3csc(N(C(C)=O)c4ccc(Cl)cc4)n3)c(C)c2c1 729151770 XKWSVHQOJIFLPL-UXBLZVDNSA-N 466.946 6.440 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ncccc2C)cc1Cl 729630877 BPHDYEHJAXTSHF-JOCHJYFZSA-N 495.004 5.213 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 730474291 LHIZXMDMXGGGIH-WMZHIEFXSA-N 478.639 5.645 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 731022898 RGAZKEFTQWEYDM-NRFANRHFSA-N 479.646 5.618 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cc1csc(-c2ccccc2Cl)n1 731068587 CBAGSHOJUUYDIJ-OAHLLOKOSA-N 486.018 5.582 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cccs2)c1 731309959 YJNLBLVLFGGTHI-OAQYLSRUSA-N 465.600 5.177 30 20 JKED C[C@@H]1CCCC[C@@H]1OCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1F 731310431 IAUNRYPAVOJNLK-MQNAVGNWSA-N 499.608 5.087 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 742442777 SZMSGMUPELNWHD-HSZRJFAPSA-N 473.550 5.214 30 20 JKED COc1ccc(CCC(C)=NOCC(=O)Nc2c(Br)cc(C)cc2Br)cc1 744184796 LWWXIOYLHZUVGV-UHFFFAOYSA-N 498.215 5.492 30 20 JKED Cc1sc2nc(CCC(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)nc(O)c2c1C 750395848 SQOHNKLAPDJQJC-HNNXBMFYSA-N 468.991 5.600 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)nc3ccccc23)n(Cc2ccc(F)cc2)c1C 760138643 IWPMUPYDXZDTNQ-UHFFFAOYSA-N 490.922 5.161 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(CC(F)(F)F)C2=O)cc1 799217790 WDOPNKNCCTUKRZ-LJQANCHMSA-N 479.524 5.225 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccc3C)C2=O)c1 837553506 ZBOLAXWKQMSUHN-XMMPIXPASA-N 489.597 5.173 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1 837742311 UQDTXYDXIGMUFV-IBGZPJMESA-N 457.527 5.187 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)cc1 838090361 CWLVCHGZEKLVMK-UZUQRXQVSA-N 492.576 5.341 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccs2)C1=O)Nc1ccccc1 838540358 FQPWTIQWSCKXMX-LJQANCHMSA-N 457.527 5.187 30 20 JKED C=CCN(C)S(=O)(=O)c1ccc(NCc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 863998482 YIWKNDYDJQMUHF-UHFFFAOYSA-N 469.994 5.011 30 20 JKED CC(C)(C)OC(=O)NCc1ccc(-c2noc(C3CCN(c4ccc(C#N)cc4F)CC3)n2)cc1 904716675 GVHCVNVMJANOEE-UHFFFAOYSA-N 477.540 5.156 30 20 JKED Fc1ccccc1OCc1noc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1 904727889 DHZGYVNGFOQXDB-UHFFFAOYSA-N 466.309 5.337 30 20 JKED CCN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H](C)c1ccc(C#N)cc1 914509635 UPNMYUJXBSRANZ-IEOAWGNMSA-N 469.657 5.211 30 20 JKED C[C@@H](Cc1cccs1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc2ccccc12 914692431 XYBSUVZABPWURV-AOMKIAJQSA-N 463.628 5.133 30 20 JKED O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1N=Cc1cc(Cl)ccc1OCc1cccnc1 914693316 AYXASPQIGSHGPT-UHFFFAOYSA-N 496.954 5.144 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 915106236 AARXCWUGCRZCAE-PZJWPPBQSA-N 458.468 5.169 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 916134809 FOQGIYHLGQACCF-SGAXSIHGSA-N 455.869 5.107 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c1 916213030 WTUOKDKYSSBCNR-HXUWFJFHSA-N 469.950 5.102 30 20 JKED Cc1sc2ncn(N=Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)c(=O)c2c1-c1ccccc1 916283816 UXRMJNSSMMTXAH-UHFFFAOYSA-N 498.995 6.221 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 916846051 FRVGSHIZCGOVSU-OAQYLSRUSA-N 451.551 6.262 30 20 JKED N#C[C@H](C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1nc(O)c2c3c(sc2n1)CCCC3 916846908 HUUBPRGTEXYBMV-IFMALSPDSA-N 493.592 5.460 30 20 JKED N#C[C@@H](C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 916885755 BAWRFLOFZABSEZ-YPCOFMQESA-N 474.838 6.034 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 916898881 FJFCSEDLOIFAGZ-RPBOFIJWSA-N 467.569 5.020 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916927447 JVYVTYOGJRNESY-CQSZACIVSA-N 473.337 5.454 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1sc2cc(Cl)ccc2c1Cl 916928668 QROTUKKUTFBBHT-LLVKDONJSA-N 458.153 6.476 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc(Cl)c1OCC(C)C 916940972 XTKJWMCNNSTKQV-AWEZNQCLSA-N 453.297 5.137 30 20 JKED N#C[C@@H](C(=O)CSCc1coc(-c2ccccc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 916975786 FLLGHNFILWYSPC-IBGZPJMESA-N 465.987 6.228 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1nc(-c2ccc(Cl)cc2)cs1 916976097 JESJXCQOOJEPTB-WIYYLYMNSA-N 481.980 5.260 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1 916995809 IPMHRJJJCXGWQG-SFHVURJKSA-N 461.370 5.943 30 20 JKED N#C[C@@H](C(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)c1nc2cc(Cl)ccc2s1 917046881 NDCFLAXYDAUAHD-DAQNXSASSA-N 472.917 5.071 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CCCCO2)ccc1Cl 918393790 DDPMRLCROMSRKE-FQEVSTJZSA-N 497.444 5.016 30 20 JKED Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 920140629 FXPNDSYRWVTIEL-IBGZPJMESA-N 461.568 5.240 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N([C@@H]2CCc3c(Cl)cccc32)C1=O 920169366 SCOIKKANXJJLFO-FGZHOGPDSA-N 463.990 5.248 30 20 JKED CC(C)N1CCC(N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc3c(c2)CCC3)CC1 920176984 WXWOVOOINHOYIG-VWLOTQADSA-N 490.673 5.008 30 20 JKED Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)c2C)cc1Cl 920268163 MLEKQQGFFFZIIZ-HXUWFJFHSA-N 461.978 5.388 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2c(C)cccc2C)no1 920352593 QGQIJTYHDHFPFB-FQEVSTJZSA-N 482.993 5.414 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1cccc(OCc2ccccc2F)c1 920371714 LZBWJFSTKLGLBN-UHFFFAOYSA-N 478.549 5.145 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1 920678096 RADQQZNHDSZAJJ-HNNXBMFYSA-N 474.007 5.255 30 20 JKED Cc1csc([C@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(O)cc2)CC3)n1 920766693 PNRQUMDNBGASDJ-OFFMQOAPSA-N 495.560 5.225 30 20 JKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 920806810 QFLFGBQVVKUQPH-LJQANCHMSA-N 460.505 6.071 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccc3[nH]c(C)c(C)c3c2)cc1F 920826660 QEAHFFTUDLTICO-QHCPKHFHSA-N 478.593 5.033 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2oc3ccccc3c2CSc2ccccc2F)n1 921216013 IEAZNFFJXIVKMO-INIZCTEOSA-N 480.542 5.662 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)C2)C1 1781147534 SHTZKSMANMFNLX-KMRXNPHXSA-N 498.067 5.064 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc5c(c4)[C@H](C4CCOCC4)CN5)CCC3)cc2)C1 1785807381 LQKGKKLOBCWROT-SANMLTNESA-N 485.628 5.336 30 20 JKED N#Cc1ccc(CC(=O)Nc2ccc(C3(NC(=O)CSc4ccccc4)CCC3)cc2)cc1 1785880317 BLHKSCBRILYWNF-UHFFFAOYSA-N 455.583 5.027 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)/C=C/c4ccsc4)cc3)CCC2)c(C#N)c1 1786944002 JFPZLMBDSXWQQT-XCVCLJGOSA-N 471.582 5.018 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4snnc4C4CC4)cc3)CCC2)c1 1788844237 MHTOROLDWAFCHZ-INIZCTEOSA-N 471.586 5.104 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5cccc(C)c5[nH]4)cc3)CCC2)c(C#N)c1 1789254980 PBLCVCLOEARHOI-UHFFFAOYSA-N 492.579 5.347 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)[C@@H]4[C@@H]5Sc6ccccc6[C@H]54)cc3)CCC2)c1 1789531060 BHLJEZIMDNRFIJ-CCDWMCETSA-N 483.568 5.333 30 20 JKED CCSc1cccnc1C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(OC)c3)cc2)CCC1 1790074116 DDEBRZHPTPMWBN-UHFFFAOYSA-N 486.597 5.135 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)C[C@H](C)Oc4ccccc4)CCC3)cc2)c1 1790075535 GKUJJQDVBYFZFP-FQEVSTJZSA-N 483.568 5.172 30 20 JKED C=C(CC(=O)OCC)C(=O)Nc1ccc(C2(NC(=O)c3ncccc3-c3ccccc3)CCC2)cc1 1790511903 ZSSRKVSVEJEQNC-UHFFFAOYSA-N 483.568 5.006 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3F)cc2)CCC1 1790586498 YWQVTAFDGKWITK-GOSISDBHSA-N 481.568 5.163 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(=O)c5ccccc5o4)CCC3)cc2)c(Cl)c1 1790766178 LMZIQIQTROGDQH-UHFFFAOYSA-N 497.938 5.380 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5ccoc5c4)CCC3)cc2)c(Cl)c1 1790766929 HIZNHDHGQWSHIZ-UHFFFAOYSA-N 470.916 5.414 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)C4CCSCC4)CCC3)cc2)c(Cl)c1 1790768488 LONKCXDTATZMOZ-UHFFFAOYSA-N 453.995 5.103 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc4cc(Br)ccc4c3)cc2)CCC1 1790910629 IVBGBVQGJBCDSV-CQSZACIVSA-N 484.419 5.063 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H](C)CN(CC)CC)CCC2)cc1)c1ccc(O)cc1 1791646141 FPFVJLWILYMPCD-ISKFKSNPSA-N 489.660 5.001 30 20 JKED Cc1onc(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)c1C 1792169478 MHJFPQMQKRXHHL-UHFFFAOYSA-N 472.545 5.012 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2)CCC1 1792173368 WNDITLRBNSKLKX-OKCVXOCRSA-N 490.501 5.064 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2c(Cl)cccc12)c1ccccc1 1801106469 HBTRAIPXXIRGFU-CIAFKFPVSA-N 474.004 5.270 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2ccc(Br)cc2)CCC1 1802465487 WJWSBOJBIJWQTM-KAOXLYBCSA-N 485.466 5.277 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(Cl)c2C)[C@H]1c1cccnc1 1802742230 KHYBEQCEIFCNKQ-NZQKXSOJSA-N 454.014 5.355 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@]1(F)CCCCC1(F)F)C2 1803862318 CSBCQWDYKBXSHZ-YYQBIWNASA-N 480.424 5.014 30 20 JKED N#Cc1cccc(CCC(=O)N2CCC3(CCCN(C(=O)C4(c5ccccc5)CCCC4)C3)CC2)c1 1805233489 KXVHBGJIZGMEPU-UHFFFAOYSA-N 483.656 5.234 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc(F)c(Br)cc3F)CC2)C1 1805457550 DZXRSMGLWRNWIY-UHFFFAOYSA-N 495.408 5.341 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc3cc(F)ccc3s2)[C@H]1c1cccnc1 1809850834 XOFIUFJIVUEDJQ-UWUFEASWSA-N 477.605 5.523 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(CC)CC)[C@H]1c1cccnc1 1810501533 CINSWDZBYQVAMX-QKDODKLFSA-N 490.692 5.163 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)[C@@H]1c1cccnc1 1810505640 ZLGMFDLRTGLJQQ-JYFHCDHNSA-N 492.639 5.133 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1811132411 QMWWCOSXYXMELP-GCJKJVERSA-N 457.977 5.186 30 20 JKED O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@@H]1c1cccnc1 1812522491 NMIDXWFNBHEBKV-HOFKKMOUSA-N 490.047 5.056 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCCc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccnc1 1812584920 SXLSXEQZICPLNP-UWUFEASWSA-N 487.566 5.341 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]c3ccc(-c4ccccc4)cc23)[C@H]1c1cccnc1 1812591166 BCKDETKVQAMINK-VGKYISKLSA-N 493.611 5.157 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2)[C@H]1c1cccnc1 1812592025 HUUIQMAARNNEND-XPIZARPCSA-N 490.829 5.029 30 20 JKED C=CC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)[C@H]1c1cccnc1 1812592780 TXNPFHGVWKJLPB-PXARDIRTSA-N 480.823 5.574 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1Cl 1814590320 CFTVMZFYOZPNRH-QFIPXVFZSA-N 461.953 5.057 30 20 JKED Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)c(C(F)(F)F)o1 1816468612 AEHSDOCHSLKUNQ-HXUWFJFHSA-N 499.493 5.140 30 20 JKED Cc1cnc(Cl)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)[nH]n2)c1 1816621639 MDSGFWSBAGLDFH-FQEVSTJZSA-N 486.092 5.124 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)c3ccccc3c2)n[nH]1 1817964186 TZCWVIDNEQEMGF-QFIPXVFZSA-N 493.405 5.435 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(F)c(C#N)c3)[nH]n2)oc2ccccc12 1818569683 FSNUCQTXMCUILX-JOCHJYFZSA-N 485.519 5.024 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cccc(F)c3s2)n[nH]1 1818594176 HIYHMSDGMKFJMH-QFBILLFUSA-N 460.600 5.024 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)n[nH]2)c1 1818994901 MKKXHAPCKMSVLZ-UPCLLVRISA-N 484.535 5.277 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1)C(F)(F)F 1820231980 FYRAHTKQVBVXSY-INIZCTEOSA-N 466.847 5.234 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(F)cc2)n[nH]1 1820317198 ZSRBNIVYLYZZGZ-HTAPYJJXSA-N 461.541 5.129 30 20 JKED CCSc1cccnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1820398403 DOTIYXVYZMBULT-HXUWFJFHSA-N 497.741 5.274 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)c1 1820484672 QGQGIAUVENFWNT-IBGZPJMESA-N 468.344 5.208 30 20 JKED Cc1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n[nH]1 1821152000 ZIUQLFUEDUTDHB-HHHXNRCGSA-N 489.579 5.133 30 20 JKED Cc1cc(C)cc(CCC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c1 1821182982 MKUUVCTVQQAYOF-RUZDIDTESA-N 469.589 5.031 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c(C)cc(OC)cc2C)n[nH]1 1821252046 DUFHREAORPJJOC-IRLDBZIGSA-N 450.583 5.109 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)c(F)c(Cl)c2)n[nH]1)C(F)(F)F 1821290116 OAMNPFQIIPHQLD-CQSZACIVSA-N 479.261 5.280 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821692286 DJJWAOLMHRILOS-INIZCTEOSA-N 465.570 5.116 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCc4cccc(Cl)c43)n[nH]2)c1 1821777045 RTUGZXRIUXJQDH-VGOFRKELSA-N 491.954 5.110 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(Br)c(F)c2)n[nH]1 1821790782 RSVSVFXVMLHTOM-QRWLVFNGSA-N 491.405 5.148 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2cc(F)cc(F)c2)[nH]n1 1821922132 ZULRCORAKRRCDJ-ZHRRBRCNSA-N 479.531 5.268 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)COc3cccc(Cl)c3)[nH]n2)c1 1823212110 QROCUDDYDSRVMD-HXOBKFHXSA-N 491.979 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3csc4c3CCCO4)[nH]n2)c1 1823212950 QSJMUMPQQIOTJC-AOMKIAJQSA-N 489.601 5.043 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ncc(Cl)cc3Cl)[nH]n2)c1 1823212999 OEQZOAJJKCTLOK-VBKZILBWSA-N 497.386 5.358 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4ccccc4n3C)[nH]n2)c1 1823215615 YGMNODNEDRGQLR-MHECFPHRSA-N 480.572 5.148 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@]3(F)CCCCC3(F)F)[nH]n2)c1 1823215674 ZYUFQCNRDICIAI-MYRUOYEDSA-N 487.526 5.260 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)c1 1823217719 WXZVCLHBJPJLAB-MWTRTKDXSA-N 486.963 5.182 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(C(C)C)CCC3)[nH]n2)cc1C#N 1823294348 MGLAOQBGOQDVNT-JOCHJYFZSA-N 477.609 5.201 30 20 JKED Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)c1 1824051197 GEQYKJVKACTKFO-MUUNZHRXSA-N 471.645 5.052 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1)c1ccccc1 1826316646 DGQONTPYBQALGE-FAQZDJIUSA-N 471.645 5.741 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2noc3ccccc23)CC1)c1ccccc1 1827087364 GIQWTIICWIJPDT-LSYYVWMOSA-N 497.639 5.187 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cncn2-c2ccc(Cl)cc2F)CC1 1827736082 TYYMHCIWBGSJQA-AVRDEDQJSA-N 487.019 5.110 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3nc(C)sc23)CC1 1828096116 NCVAOCCOUUFRBU-HSZRJFAPSA-N 451.636 5.032 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)oc2ccccc12 1828129764 ZOOYOFYUHMWQDZ-FQRUVTKNSA-N 483.612 5.915 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)c1 1828458195 QOVBWTZKNXSAOF-AXCRSINUSA-N 491.676 5.407 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1 1828606066 FFTXMQGDTWKJPZ-IBGZPJMESA-N 464.553 5.485 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)nn2-c2ccccc2)CC1 1828824227 GIBUQBXTYLICJY-CLJLJLNGSA-N 474.649 5.182 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2coc([Si](C)(C)C)c2)CC1 1828904750 PYPSWEDIVKLQNW-QFIPXVFZSA-N 458.719 5.051 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(Br)c3F)CC2)cc1 1830016237 CGZLVOZOWFMHEQ-JOCHJYFZSA-N 498.396 5.007 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1831846961 PANVSZOOCAEIGB-OAQYLSRUSA-N 499.866 5.449 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@](C)(OC)c2cccc3ccccc23)CC1 1831848470 SULFVFSMKBXCLM-OFSOJUDTSA-N 474.645 5.125 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3C(F)(F)F)CC2)cc1 1832713711 UUGPWJCSKLMEMV-HSZRJFAPSA-N 487.497 5.263 30 20 JKED Cc1cccc(-n2c(SCC(=O)Nc3sccc3C#N)nnc2-c2ccc(Cl)cc2)c1 8931374 KJYARFTVNCPGOM-UHFFFAOYSA-N 465.991 5.560 30 20 JKED N#CC1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)CCCC1 9823734 XPNDIIDDMYOXBI-UHFFFAOYSA-N 486.428 5.345 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)n1C 10830793 RREMFGGXQVFWPB-UHFFFAOYSA-O 453.031 5.513 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccc(Cl)cc1Cl 14070365 MGFMNHMRGAMBJB-UHFFFAOYSA-N 454.770 5.217 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(Br)cc1 16832681 XSFCUDFMUQOVGS-LBPRGKRZSA-N 479.350 5.291 30 20 JKED CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2c(C)oc(-n3cccc3)c2C#N)cs1 17187886 GFHPOBRSMRKZPT-UHFFFAOYSA-N 474.542 5.365 30 20 JKED C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 17652898 LCKVEJQOIOSRFB-QFIPXVFZSA-N 473.623 5.423 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c1 21670159 QCYQYSDIPAMTDI-UHFFFAOYSA-N 452.583 5.953 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cs1)c1ccc(F)cc1F 21674807 ONEOIGWIPLXSJI-WYMLVPIESA-N 490.531 6.581 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1cccc(C)c1 22010911 JVHTVZAXGUFZFX-VWLOTQADSA-N 484.625 6.310 30 20 JKED COc1ccc(CN/C(S)=C(/C(=O)c2cc(C)n(C)c2C)[n+]2ccc(Cc3ccccc3)cc2)cc1 22692780 WHTHLHBUFNANJL-UHFFFAOYSA-O 498.672 5.257 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)sc2C)=C(/S)NCCc2ccc(OC)cc2)cc1 22803057 ZWSVYNBGORKQGU-UHFFFAOYSA-O 467.680 5.385 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1 23501036 XRIHUUOKOWIBQJ-MRXNPFEDSA-N 489.091 6.361 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@@H](C)c1ccc2ccccc2c1 29840959 PDMYWHYTKZGLKC-SFHVURJKSA-N 476.577 5.305 30 20 JKED C=CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 31877788 OUELPZMCTNUPPE-UHFFFAOYSA-N 455.561 5.179 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2sccc2c1=O 36800413 XVXOXEMRZBQEKF-IBGZPJMESA-N 451.548 5.255 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1F 195677306 JTLLDMMYGZFYAQ-UHFFFAOYSA-N 465.381 5.328 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1 303097299 AWQXCMYDCJZCPX-RUZDIDTESA-N 483.593 5.321 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC(OC4CCCCC4)CC3)cc2F)c1 481691195 WFOCEDRQXHYVGZ-UHFFFAOYSA-N 451.542 5.622 30 20 JKED CC(C)OC(=O)C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1[N+](=O)[O-] 482040035 NZXYRIIVNKCCPF-QHCPKHFHSA-N 473.485 5.072 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(OC)c2)c1 497324878 SJZUPPWWMNDDLV-SFHVURJKSA-N 485.005 5.221 30 20 JKED O=C(Nc1ccccc1OC(F)F)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 497413201 ACFNSAIWKZLERG-UHFFFAOYSA-N 459.289 5.423 30 20 JKED COc1c(F)cc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1F 499427805 NDPHYWAHRDSOCX-UHFFFAOYSA-N 459.289 5.108 30 20 JKED COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 500771622 FFLCJKQSKNMTRG-UHFFFAOYSA-N 457.530 5.134 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cs2)cc1 502747753 MBIWFSOASINEEC-QGZVFWFLSA-N 490.610 5.676 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)cc1 502943850 CPGXBRNYWGWFRF-VWLOTQADSA-N 461.606 5.102 30 20 JKED Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N(CCC#N)CCC(C)C)ccc2C)c(C)c1 505181509 GUYOUKWLXIANPH-UHFFFAOYSA-N 455.624 5.123 30 20 JKED C[C@H](NC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc(C#N)cc1 509864757 NHJCOJSBHFZYMP-HNNXBMFYSA-N 452.436 5.712 30 20 JKED Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 510052809 BZIYSSBVVHBBJG-DEOSSOPVSA-N 472.976 5.294 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 510739589 UPHJXTOBHPBITF-UHFFFAOYSA-N 489.579 5.938 30 20 JKED Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 511363964 OBQVVVCBIAEUDJ-VWLOTQADSA-N 485.975 5.630 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(SCc4cn5ccccc5n4)cc3)n2)cc1 512500804 ZAMNTTMUAQREPW-HSZRJFAPSA-N 496.617 6.249 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)n2)cc1 516270443 YWLCZBLCEJSYEX-QGZVFWFLSA-N 469.353 5.801 30 20 JKED CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 516461772 BNAHHCDMNILDDK-UHFFFAOYSA-N 476.577 5.097 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](c1ccccc1)c1ccccc1OC 518116904 CFANPASDCDHICN-XMMPIXPASA-N 495.373 5.013 30 20 JKED Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)c2)n1 518150521 DAOWUCXFORVOKD-UHFFFAOYSA-N 458.509 5.825 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 518150928 JOUGQJYFFZJSPF-UHFFFAOYSA-N 491.516 5.012 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H]1CCSc2c(F)cccc21 518159550 QINSSEMTUHKRRS-HNNXBMFYSA-N 483.512 5.142 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OCc4ccccc4C#N)c3)n2)cc1 518515526 YQKZTKVPLCZRGW-XMMPIXPASA-N 460.518 5.623 30 20 JKED COc1cccc(OC)c1Oc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cn1 520196202 CWMMJUQXFLXDBR-UHFFFAOYSA-N 474.561 5.131 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 521738113 CKISTKMFMBYMHA-RTBURBONSA-N 486.597 5.007 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 521805144 WLPWXSVDWQHLQV-HZPDHXFCSA-N 464.616 5.329 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCc4c(ccc(Cl)c4Cl)C3)s2)cc1 523198954 ASGYWOTZQZIMHO-UHFFFAOYSA-N 476.414 5.599 30 20 JKED C=CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 556478048 RXEIXQCMOVQTLC-UHFFFAOYSA-N 486.509 5.595 30 20 JKED Cc1cccc(OCc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)c1 589878637 HMNBZEURNCOIQY-HNNXBMFYSA-N 468.604 5.136 30 20 JKED C=CCN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459312 NNABAQCUPZZQNG-NRFANRHFSA-N 465.531 5.109 30 20 JKED CCCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2cccs2)cc1 603706143 HIURFMFGRHNKGM-QFIPXVFZSA-N 451.979 5.460 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)s2)c(C(F)(F)F)c1 603757716 IZWFBHQMCQZKEO-KGLIPLIRSA-N 461.431 5.932 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1Cl 603758903 OAUWKJDLGISDOC-UKILVPOCSA-N 483.955 5.568 30 20 JKED CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 604458567 GGRRYNFJQWIVBO-XMMPIXPASA-N 459.571 5.149 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1cc2ccccc2o1 609085257 LNGZKPRIMDIRCZ-MRXNPFEDSA-N 473.916 5.353 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1SC 609140522 IDRIPACNTUIJQQ-NSHDSACASA-N 467.450 5.444 30 20 JKED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 609331051 KSKYSWCGWURNQJ-HXUWFJFHSA-N 471.504 5.178 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 609376880 LDTXHRAECPLIIK-WAIKUNEKSA-N 454.567 6.689 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 609439012 RSGHEGVDTIVRFZ-KRWDZBQOSA-N 462.541 5.449 30 20 JKED C=CCn1c(SCC(=O)N(C2CC2)[C@H](C)C2CC2)nc2scc(-c3cccs3)c2c1=O 613827593 HJEXYVWIZOSJQR-CQSZACIVSA-N 471.673 5.254 30 20 JKED O=C(c1ccccc1Nc1ccc(OC(F)F)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 620242628 LQDIZWPFPZIGBD-STQMWFEESA-N 482.371 6.235 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)S/C2=N/CCc2ccccn2)cc1 726110559 ILBKOXGTGYTFPW-YWFCIECYSA-N 486.641 5.078 30 20 JKED CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(C(N)=O)cc1 726400434 JUSFSCVBLRCUAU-QHCPKHFHSA-N 488.613 5.089 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(C)c1 726401257 SJFUHYGSAICTOT-KXBFYZLASA-N 494.444 5.687 30 20 JKED COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 726938184 JQNUVDOYJPLXCL-UHFFFAOYSA-N 478.508 5.567 30 20 JKED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(C)=O)C=C2)[n+]2cccc(C)c2)cc1Cl 726961067 ARUYQYSQLKBIOQ-UHFFFAOYSA-O 468.986 5.038 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2Br)cc1 727354721 JMYGPSSXKXCNFF-JLVIMGNISA-N 453.361 5.517 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccc(OCC#N)cc2)c(C)c1 727649762 DFLFCBWWQVSVJQ-VWLOTQADSA-N 498.608 5.366 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2ccc(OCC#N)cc2)cc1 727650549 MCDPELSPXQOHMH-VWLOTQADSA-N 498.608 5.366 30 20 JKED CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)CC1 728468117 FZZNGRDUJVKNKI-UHFFFAOYSA-N 461.562 5.355 30 20 JKED C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1=S 728908739 JAQVGSQUGURXIJ-UHFFFAOYSA-N 472.618 5.463 30 20 JKED CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 729035544 GLUJCYRGUJOSJS-DEOSSOPVSA-N 451.492 6.803 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3scnc3C)C2=O)cc1 729146700 WMPIXUGBJXGFBA-LJQANCHMSA-N 485.034 5.574 30 20 JKED Cc1nc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)sc1-c1nnc(S)n1C1CC1 729323436 KRWZVBOSBHINIX-UHFFFAOYSA-N 488.598 5.037 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 729562505 YBPNXVJYNAKJBL-QPPBQGQZSA-N 490.604 5.994 30 20 JKED COc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C2CCC2)c1 730458482 ADBPPECKLCQIAX-SFHVURJKSA-N 478.401 5.515 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCC2)C1=O)Nc1ccc(SC(F)F)cc1 730461151 LOARSVIBGLNXFF-SFHVURJKSA-N 479.549 5.653 30 20 JKED Cc1nc(Cc2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731073971 LFJSNXWGJWQUHW-OAHLLOKOSA-N 483.590 5.371 30 20 JKED C#CCOc1ccc(NC(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)cc1 731111856 MCNZWOUQTQGSRB-DEOSSOPVSA-N 469.541 5.151 30 20 JKED N#CCCN(C(=O)CCC(=O)OCc1csc(-c2ccc(Br)cc2)n1)c1ccccc1 731254575 CKXQNTYPDHMXNP-UHFFFAOYSA-N 498.402 5.343 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 731305100 GWLBPOZNULHYKB-QVKFZJNVSA-N 480.977 5.162 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccc2F)C1=O)Nc1cccc(O)c1 731307580 UMEYKJRJXVSMAB-NRFANRHFSA-N 483.952 5.345 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)CCc2ccco2)cc1F 731309301 RLSXITHCGUCIRD-SBUREZEXSA-N 495.576 5.414 30 20 JKED C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1)C(=O)O 745022152 XTEMZVYVJKPZQM-KUCQQTCKSA-N 484.335 5.994 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ccc(Br)cc3F)n2)cc1 745313030 IPGOWCCJJKXYJH-KRWDZBQOSA-N 454.324 5.392 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCCOC2CCCC2)C1=O 747041968 CYSNHQXKNHBMNI-HSZRJFAPSA-N 499.608 5.144 30 20 JKED N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)Nc1ccc(Cl)cc1Cl 747111646 ILMRJDBHYLZIET-CYBMUJFWSA-N 466.371 5.291 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc2cc(Br)cc(Br)c2o1 747561526 LXKPPVBBEDWMAQ-CYBMUJFWSA-N 496.542 5.572 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2cscn2)C1=O)Nc1cccc(Cl)c1Cl 747600882 RMLBLLPULWTTSV-KRWDZBQOSA-N 491.425 5.610 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c1 747603056 OQPALMGBLCUNGY-QFIPXVFZSA-N 478.643 5.483 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)ccc1OCC(F)(F)F 750904111 FCZJEYHILJFMJZ-WZUFQYTHSA-N 450.457 5.452 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)cc(C)c1 799217488 QTGUYCDCIDLIIU-GOSISDBHSA-N 460.386 5.204 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(F)(F)F)cc1 799221438 WWLUOTABROGWGE-HXUWFJFHSA-N 487.503 5.371 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)C)CC2)cc1C 837300360 UGNHEWUDOJZQSQ-DEOSSOPVSA-N 496.652 5.276 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCN(C3CC3)CC2)c1 837398299 HRLXNRANLILPMO-RUZDIDTESA-N 490.673 5.199 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccn2)C1=O)Nc1ccc(F)c(Cl)c1 837537032 FVRQKGVQFATJLK-FQEVSTJZSA-N 468.941 5.035 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1 837918936 WBWDUUKELBSXMZ-GAJHUEQPSA-N 476.577 5.505 30 20 JKED CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)cc1 838095423 SXAMAXXBRPNUFD-UZUQRXQVSA-N 492.576 5.341 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(F)cc2F)cc1 838543359 BRSYUHANZJPWLL-QFIPXVFZSA-N 499.514 5.273 30 20 JKED CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 839415464 DOPFXUTUGWRPKX-UHFFFAOYSA-N 481.559 5.063 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)C2CC2)ccc1Cl 875158938 UNQLETZFZXLIKJ-OAHLLOKOSA-N 467.418 5.245 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1csc(COc2ccc(F)cc2)n1 914744604 XTLIBDHAPLCPLS-GHMZBOCLSA-N 470.410 5.501 30 20 JKED Sc1nnc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccccc1OCc1cccnc1 915949226 FSUBNFSHRDYSHI-UHFFFAOYSA-N 456.358 5.397 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O)Nc1cccc([N+](=O)[O-])c1 916209562 NJUKIVCCRSJQPY-LJQANCHMSA-N 484.921 5.002 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C=Nn1c(C)nc2scc(-c3ccccc3)c2c1=O 916311060 YKSKUKOVUIRLHF-UHFFFAOYSA-N 473.989 5.522 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=Nn1cnnc1SCc1ccc(Cl)cc1 916546450 RJTLBGLJHWQDJD-UHFFFAOYSA-N 475.380 5.452 30 20 JKED C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)cc2F)C[C@@H](C)O1 916680446 GSJXRSCGNJEJPV-UMEGOILYSA-N 472.564 5.416 30 20 JKED Cc1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(Br)c1 916888360 WIBDWCONMHEQTH-VCIFKONDSA-N 465.319 5.433 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916900685 VAUTYSROZICKHG-HXUWFJFHSA-N 452.297 5.207 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCN1c2ccccc2Sc2ccccc21 916903491 OSIPQGFMODFORG-NRFANRHFSA-N 469.610 6.152 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 916908439 PVJSDJNWOBUJIR-RSXGOPAZSA-N 464.569 5.466 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCN1c2ccccc2Sc2ccccc21 916926098 RTJSJKUUWQWMAK-GOSISDBHSA-N 457.555 5.426 30 20 JKED CC(C)c1ccc(-n2cnnc2SCC(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916944577 IIVANJZOIKDYIP-LJQANCHMSA-N 488.400 5.137 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996175 LCKOOEYBLZAJIO-YJBOKZPZSA-N 470.381 5.342 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997551 WJKKAQCVFDSADW-CRAIPNDOSA-N 490.437 6.050 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(C)n2)C1=O 917675167 FPQDWKQXVSYGLZ-XMMPIXPASA-N 488.613 5.339 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(Cc3ccnc(C)n3)C2=O)c1 917680050 ASANAUNRBMFANY-JOCHJYFZSA-N 494.020 5.216 30 20 JKED Cc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)SC2=Nc2ccc(F)cc2)s1 917680201 GQRDOMPZKHQOAU-OAQYLSRUSA-N 467.591 5.034 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1Cc1ccnc(C)n1 917687069 MRDGKTQUTFJBDB-XMMPIXPASA-N 487.629 5.125 30 20 JKED CC(C)Oc1cccc(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 918622284 XHNZDYXQCUNUIH-UHFFFAOYSA-N 459.571 5.006 30 20 JKED CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)OCC(=O)N(CCC#N)c1cccc(C)c1C 919183236 DOXKTEYZNRHTMI-UHFFFAOYSA-N 492.576 5.034 30 20 JKED Cc1cc(SCC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)cc1Br 920265494 PLRKNTJSUKBZLU-HNNXBMFYSA-N 458.406 5.553 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)SC2=Nc2cccc(C)c2C)no1 920354161 ZOYOZVHFMLWFLB-NRFANRHFSA-N 482.993 5.414 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1cc(C)on1 920357500 UXLZRLZONHUIGL-OAQYLSRUSA-N 482.993 5.359 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1Cc1c(C)noc1C 920357979 WXASZBZSPKLAQQ-NRFANRHFSA-N 498.992 5.114 30 20 JKED COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=Nn3cnc4ccccc4c3=O)ccc2c1 920826674 GJJFEAQFMAAPEV-UHFFFAOYSA-N 471.520 5.293 30 20 JKED O=C1/C(=C/c2ccc(O)c(Cl)c2)CN(CC(F)(F)F)C/C1=C\c1ccc(O)c(Cl)c1 921270646 WHTRIKGWVCBROQ-PWSZKDBUSA-N 458.263 5.319 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](CCC)NC(=O)OCc4ccccc4)cc3)CCC2)C1 1786007791 RVBSTOKTOFAEQO-VWLOTQADSA-N 489.616 5.182 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786181592 KDDQMMQGNWXHHO-HXUWFJFHSA-N 491.579 5.025 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4CCc5ccoc5C4)cc3)CCC2)c1 1786218303 WBVKRMZRTSNWPL-AUSIDOKSSA-N 467.569 5.459 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCC3CCC3)CCC2)cc1 1786544972 QKJSJURBJMLPAW-QFIPXVFZSA-N 469.626 5.170 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cccc5nc[nH]c45)cc3)CCC2)c1 1788431562 QTMWLGDPLLBPDM-SFHVURJKSA-N 463.541 5.251 30 20 JKED Cc1nc2cccc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(C#N)cc5)CCC4)cc3)c2s1 1788944384 OQYRTMDZURTYDW-UHFFFAOYSA-N 480.593 5.467 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CCC1 1789288654 NMKPPVVHVXLQTN-RWPZCVJISA-N 475.545 5.500 30 20 JKED Cc1cc(C(=O)NC2(c3ccc(NC(=O)CCCC#C[Si](C)(C)C)cc3)CCC2)cnc1C 1789507817 XHAOAIPFBJULON-UHFFFAOYSA-N 461.682 5.497 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4cccc(C#N)c4Cl)cc3)CCC2)nc1 1790081719 FSEHJCCIYWBDSD-UHFFFAOYSA-N 472.976 5.296 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CCC1 1790267204 JDGYTOQTWCMBKK-JVWAILMASA-N 473.404 5.213 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc(Cl)c4)CCC3)cc2)c(C#N)c1 1790474466 HACPLAWBORZDHM-UHFFFAOYSA-N 473.960 5.211 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C3=CC(C)(C)N(C(=O)c4ccccc4)C3)CCC2)cc1 1791252086 HDHAOZREJFNNGC-OAQYLSRUSA-N 485.628 5.194 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Br)ccc4c3)CCC2)cc1 1791583931 FGWXKTRRLVLABH-UHFFFAOYSA-N 490.401 5.549 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3c(C)noc3-c3ccccc3)CCC2)cc1 1791727407 MIIADOPRAFXDQP-UHFFFAOYSA-N 455.558 5.591 30 20 JKED Cc1nccn1CCCC(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1791827171 AZPTUXTYVNCACG-UHFFFAOYSA-N 478.713 5.157 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc5cc(Cl)ccn45)CCC3)cc2)c1 1792123699 PFMJADYDOMPXBJ-GOSISDBHSA-N 497.986 5.676 30 20 JKED C[C@H](CC(=O)NC1(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CCC1)c1ccccc1 1792240248 OLTAEJRUENKACC-OAQYLSRUSA-N 467.569 5.265 30 20 JKED N#Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(Cl)c(Cl)c(Cl)c2)C3)cc1 1792641533 YMEPVZPZSIZFMC-BCDXTJNWSA-N 476.791 5.013 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c2ccccc12 1797982024 HRUOSXFJMCRHKF-YRPNKDGESA-N 481.434 5.623 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC1CCC(C)(C)CC1)c1ccc(O)cc1 1800234445 NWISQOLMAMRBJS-JBXUNAHCSA-N 464.650 5.134 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(OC(C)C)c(Cl)c1 1800794921 ZNWRQSLBLPCIGO-YRPNKDGESA-N 479.448 5.801 30 20 JKED C=CC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccc(C34CC5CC(CC(C5)C3)C4)cc1)C2 1801637533 IQMHXFIQSFXRLA-DRYVHOIUSA-N 490.688 5.384 30 20 JKED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccc(OCc2ccccc2)cc1)C(C)C 1802082761 WXOSIZVCOZMVJA-KALPRAJFSA-N 460.618 5.220 30 20 JKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(C)(C)C)cc1)C2 1802313251 SHVSYTHNZWJTHO-UEQSERJNSA-N 497.680 5.154 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1802733289 CLORDNVKGLMWNE-FJIJXJHWSA-N 451.998 5.131 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cc(Cl)ccc3F)[C@@H]2c2cccnc2)c1Cl 1802778644 VYGBWKXMMAPTDO-HXOBKFHXSA-N 497.357 5.033 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)CCSCc2ccc(C)cc2)[C@H]1c1cccnc1 1803090535 VDVHMQXLLKRDQW-IAPPQJPRSA-N 491.701 5.488 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC3(CCCN(C(=O)[C@H]4CCCCC4(F)F)C3)CC2)cc1C#N 1806208248 NZDZRLUFFKVPHL-JOCHJYFZSA-N 487.591 5.016 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)c3cc(C)oc3C(F)(F)F)C2)CC1 1808403342 YPZYEWKCCIKCLF-GOSISDBHSA-N 452.517 5.220 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4Cl)[C@H]3c3cccnc3)cc2c1 1809158549 WHANEUQXVJBZLS-FNZWTVRRSA-N 497.986 5.030 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)C2CCC(F)(F)CC2)[C@@H]1c1cccnc1)c1ccccc1 1810440015 DYEWEKXTKIWWAL-KKUQBAQOSA-N 493.598 5.110 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3csc4c3CCCO4)C2)CC1)c1ccccc1 1810463498 VGGYBSODYKRQJT-HSZRJFAPSA-N 490.669 5.115 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc3cccc(F)c3s2)[C@H]1c1cccnc1 1810500515 RLOXEDRMSAANJG-OFNKIYASSA-N 479.621 5.747 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(Br)c2)[C@@H]1c1cccnc1 1811046337 KEVDLPGWEMAGAL-XERREHJYSA-N 490.829 5.029 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccnc1 1811766724 NKLAANCTAFMFFA-MIZPHKNDSA-N 471.523 5.188 30 20 JKED CCCc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1812036295 XTHROLKIHOCMTF-BVAGGSTKSA-N 487.003 5.193 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2)N(CC)CC)[C@@H]1c1cccnc1 1812425579 VNXFBDKKZXYWLJ-KWXIBIRDSA-N 490.692 5.163 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(Cl)cncc2Cl)n[nH]1 1814364702 UZGDJSMJQBANJP-GOSISDBHSA-N 462.381 5.186 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C3CC3)[nH]n2)cc1 1814380838 BJHUUMOGFBUXDH-VWLOTQADSA-N 467.573 5.097 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@](C)(OC)c2cccc3ccccc23)n[nH]1 1814408710 XEDZCPKRYOGYSU-RPMAOODUSA-N 474.605 5.329 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2Oc2ccccc2)[nH]n1 1815215640 KZPSUIFSMIVPOX-WMZHIEFXSA-N 474.561 5.099 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)c1 1816826019 UQNXQTORZICRMD-CCLHPLFOSA-N 491.595 5.739 30 20 JKED C=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)sc3C2)C1 1817407757 PDXHZGDCMOVCIF-KRWDZBQOSA-N 467.978 5.249 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3cc(OC)ccc3n2)n[nH]1 1818666548 VFNZSIGORKVJPZ-QHCPKHFHSA-N 475.593 5.265 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)[nH]n1 1819304718 HMDWVTMKZZOBCE-BEFAXECRSA-N 484.025 5.747 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1)C(F)(F)F 1820089739 PMKKARAXBQSXJG-SFHVURJKSA-N 497.477 5.371 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)n[nH]1 1820285437 WJGMXRHUKZZSIU-XXBNENTESA-N 493.011 5.528 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1)c1ccc(Cl)cc1 1820547370 QIORTIHALPFSPS-AOMKIAJQSA-N 461.953 5.044 30 20 JKED COc1cc(C)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c(C)c1 1821253924 QIOSIUUASYKVSA-DVECYGJZSA-N 485.588 5.282 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)ccc3F)n[nH]2)cc1 1821275795 QOGUGSUWZVAOAI-ABSORMQESA-N 489.576 5.341 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ccc(Cl)cc3c2)n[nH]1)C(F)(F)F 1821428905 LYDGDLSGYUAJDV-SFHVURJKSA-N 477.874 5.036 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cnc4cccc(Cl)c4c3)n[nH]2)cc1 1821568810 AABQYHFNNCAJAC-HSZRJFAPSA-N 484.947 5.103 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)[nH]n1 1821922438 KABMBWVISNVQBI-DYESRHJHSA-N 471.561 5.669 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)[nH]n1 1821923388 WZIWUZCHNHLTNA-UUOWRZLLSA-N 482.588 5.471 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccncc3C(F)(F)F)[nH]n2)c1 1823212274 NHDBFOFVRSUPCX-YCRPNKLZSA-N 496.493 5.070 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccoc34)CC2)c1 1824053702 BDGZXULUQJPEJW-SANMLTNESA-N 469.585 5.171 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4nscc34)CC2)c1 1824054446 UPDOKIYRHNHDNF-SANMLTNESA-N 486.641 5.034 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1824455548 VXKJTLCVRBGFCS-ZNZIZOMTSA-N 466.666 5.411 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3c(F)ccc(F)c3F)CC2)c1 1824798912 XERIFXREVSEUAT-IQGLISFBSA-N 497.561 5.207 30 20 JKED Cc1ccsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1825785479 ZZKXGFUHOVCSTA-OAQYLSRUSA-N 456.011 5.129 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)CC2)CC1 1826682785 AHWPSIHQIIWTQK-UIOOFZCWSA-N 491.582 5.422 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)c1 1828010004 TTZKOUBJXYOFGD-MHZLTWQESA-N 451.570 5.259 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4s3)CC2)c1 1828155940 MJGCQEJPYUMISB-HSZRJFAPSA-N 493.579 5.598 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1828823313 RHFQEKCYZCFABU-ISKFKSNPSA-N 454.655 5.887 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(OC)c2)CC1 1828830124 LOTFHYYFJDZIHX-DASKCANNSA-N 450.623 5.097 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(Cl)s2)CC1 1828906545 SISPDYVSAPKHER-IBGZPJMESA-N 480.150 5.081 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CSc3ccccc3)CC2)c1Cl 1829688570 BUVNGACOVFVKDT-HSZRJFAPSA-N 482.049 5.237 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)ccc1F 1830567165 YDUIVOVKZZCVNC-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1830578284 LMOYDKGSYMYKSG-HRAATJIYSA-N 486.962 5.183 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCc3ccccc3F)CC2)cc1 1830629177 YFEPYVRIRPPAQL-HHHXNRCGSA-N 475.608 5.148 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1830771423 XZWLNTXKKJDRLG-KDYSTLNUSA-N 468.601 5.041 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 1831373256 AQVVUTYHOPAICX-UUOWRZLLSA-N 469.029 5.176 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1)C(F)(F)F 1831455249 MQEIFJIWAAEGMO-OSICKASQSA-N 499.371 5.201 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831860556 SWJHICBQJALDGR-LMSSTIIKSA-N 473.661 5.056 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCCn3cccc3)CC2)c1 1832631178 AGUDQEXNPQUCQR-YIXXDRMTSA-N 474.649 5.219 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)c1 1832632359 NUJCXZILDXWUCX-RLGOFNAISA-N 495.623 6.007 30 20 JKED C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1)Oc1ccccc1 1832633203 GRHWTTGVPRPNOX-JWZKTCGFSA-N 487.644 5.405 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832727666 RYNIFXIZXMRIAY-FNZWTVRRSA-N 461.581 5.308 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1833291490 BMABPUZPEWWLRT-UHFFFAOYSA-N 492.491 5.255 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)CC1 1835816929 JEGVLUTZJYAJDY-UHFFFAOYSA-N 483.697 5.042 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4ccccc4c(Cl)c3OC)CC2)CC1 1838537890 KQKWMOVUAQAOST-LJQANCHMSA-N 499.051 5.326 30 20 JKED C=CCC(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Oc3cccc4ccccc34)CC2)CC1 1838693212 LZYYKYAYEIIINB-UHFFFAOYSA-N 498.623 5.820 30 20 JKED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cc4cc(F)ccc4s3)C2)cc(C(F)(F)F)c1 1844064690 AFUYORCDRPRDNI-UHFFFAOYSA-N 487.478 5.062 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)Cc1cc(Cl)cc(C(F)(F)F)c1)C2 1844253599 AJHLMKZAOAARBU-UHFFFAOYSA-N 499.049 5.156 30 20 JKED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(Oc4ccccc4)cc3)C2)cc1C#N 1845313659 DDMWYMMLOBSFAJ-UHFFFAOYSA-N 495.579 5.269 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)Nc2cc(Cl)cc(Cl)c2)cc1 10179451 NUHXOIAGDRLZFE-UHFFFAOYSA-O 460.406 5.903 30 20 JKED CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1C#N 10711640 INRLEPFNKWAXBI-QGZVFWFLSA-N 471.582 5.004 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)n(C2CCCC2)c1C 10947573 PJWZHVVNDVWBPW-UHFFFAOYSA-N 497.555 5.399 30 20 JKED O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(O)c1)c1ccc(F)c(F)c1 11113334 PZYSJHVVVQHGDP-UHFFFAOYSA-O 467.489 5.324 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(Cl)c(Cl)c2)c1 11159543 CYQUFDAEDGBLNR-UHFFFAOYSA-O 456.418 6.129 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(SC)cc2)c1 12038415 PLNRKDAIPICPDF-UHFFFAOYSA-N 473.019 5.696 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(Oc4cccc(C)c4)cc3)nnc12 12427602 PIYGJABGRZPZPC-UHFFFAOYSA-N 497.580 5.062 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(C)(C)C)cc2)cc1 22696259 MFODHOGMFHXSGQ-UHFFFAOYSA-O 451.587 5.860 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccccc2CC)cc1 22730306 FMGJQUGVIXCVBY-UHFFFAOYSA-O 471.549 5.588 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)nnc1-c1cccs1 26230398 XYRFIYSLBZSULX-UHFFFAOYSA-N 492.630 5.045 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)Nc2cccc(Cl)c2C)[n+]2ccc(N(C)C)cc2)c1C 28793350 AYYJCTYDXITCLV-UHFFFAOYSA-O 484.045 5.200 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 29840946 XDGQZXODTGCWCE-AWEZNQCLSA-N 495.407 5.459 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 32821703 FMKAWZGQIPNDIZ-QHCPKHFHSA-N 474.561 5.175 30 20 JKED Cc1ccc(S(=O)(=O)/N=C(\O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 95555207 CTVCDHGOWRMVHI-UHFFFAOYSA-N 465.962 5.389 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1nc2ccccc2n1C(F)F 195557458 FXQYOLHJLUDZQC-AWEZNQCLSA-N 497.855 5.591 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 195645984 DPYMATNTOFWEJI-UHFFFAOYSA-N 481.552 6.282 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 195648948 IGIVUZKRKXQDGB-XMSQKQJNSA-N 481.021 5.026 30 20 JKED CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 195686970 FSUKBTBGDAJHNF-UHFFFAOYSA-N 470.573 5.638 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCc1ncc(-c2ccc(OC)cc2)o1 195696037 OBJLKPOEFGAVHK-UHFFFAOYSA-N 452.511 5.138 30 20 JKED C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 487266895 WFLWWWNAGYVLBI-OALUTQOASA-N 488.613 5.026 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(C(F)(F)F)cn3)s2)c(C(F)(F)F)c1 487320854 MIMSNMRVTQTMAZ-UHFFFAOYSA-N 456.371 5.290 30 20 JKED CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1 488434768 MWMHPPPRUYKYSL-UHFFFAOYSA-N 483.977 5.100 30 20 JKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccc([N+](=O)[O-])c2)CCC3)CC1 490028163 GEQOEBGIBCGHJU-HKWRFOASSA-N 452.514 5.396 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC 499701493 BHQGDUYHOULFSG-OAHLLOKOSA-N 458.070 5.281 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 499882270 ZQFCWYUSZQMYEK-UHFFFAOYSA-N 478.577 5.428 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 500290543 RVNSMUTYBMFZGA-UHFFFAOYSA-N 459.596 5.151 30 20 JKED COc1cc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)ccc1OCc1cscn1 501149780 LCWHAQLDQHHDEK-UHFFFAOYSA-N 487.556 5.897 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 501931326 ZSIFSUWGPYICHW-UHFFFAOYSA-N 481.552 6.031 30 20 JKED COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c1 502716808 RWRDGDZIZBSJEG-HXUWFJFHSA-N 492.457 5.460 30 20 JKED N#Cc1cn(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)c2ccc(Cl)cc2c1=O 502858161 RXYAPQFZDOFFIZ-QFIPXVFZSA-N 496.910 5.244 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3CN3C(=O)Cc4ccccc43)n2)cc1 503584412 FOXLOCRUGCWNRH-HXUWFJFHSA-N 453.523 5.291 30 20 JKED COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 507920188 SVIGCZOYQBMUKO-UHFFFAOYSA-N 489.959 5.503 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NCCc3csc4ccccc34)s2)cc1 510211813 MSBNOAZXBZMFHU-UHFFFAOYSA-N 451.602 5.281 30 20 JKED Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)C2)nc1 510906335 LLIHGPHKOVUKOX-NRFANRHFSA-N 469.545 5.245 30 20 JKED C=CCn1c(SCC(=O)N2CCCc3cc(OC(F)F)ccc32)nnc1-c1ccc(Cl)cc1 511610205 LIUMFMAASBDLET-UHFFFAOYSA-N 490.963 5.457 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 515421510 JRSMXTOBOFVVSQ-HXUWFJFHSA-N 473.429 5.894 30 20 JKED COc1cc(-c2ccccc2)sc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 515598950 POCKQTYCISYMNM-UHFFFAOYSA-N 464.597 5.691 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515674323 ZVTUMHOCHOSKIN-UHFFFAOYSA-N 456.502 5.634 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(Br)cc1 515911037 BUGOBLQRHJKQQG-BTYIYWSLSA-N 496.792 5.574 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 516326543 LYZMGQJMFPDDAY-UHFFFAOYSA-N 461.296 5.483 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OCC 516748337 DSKGSVPPXNCHGL-LJQANCHMSA-N 487.556 5.272 30 20 JKED Cc1cc([C@@H](C#N)C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)nc(C)n1 517795649 JKOFPMJQMROTHU-QGZVFWFLSA-N 454.361 5.345 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)cc1 518857868 GHLFJRFFRZOAEJ-UHFFFAOYSA-N 492.583 5.068 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 518871082 UNDVKNGAEPJEGV-KRWDZBQOSA-N 485.519 5.836 30 20 JKED CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 520829911 YLQPMSKHSYNLFE-GOSISDBHSA-N 459.637 5.001 30 20 JKED Cc1ccc(NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)cc1C(F)(F)F 521708901 PITLHUYVWXMWBV-UHFFFAOYSA-N 498.761 6.457 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nnn(-c3cccc4cnccc34)c2C)cc1 521763032 RHKCYRHHQIEMKZ-UHFFFAOYSA-N 476.496 5.049 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)cc1 522953424 VIYJYALGCGQWOZ-JOCHJYFZSA-N 498.421 5.641 30 20 JKED Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 524435788 MRQPJHBUHFGOFH-QFIPXVFZSA-N 454.574 5.356 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 524658694 FMAFBBFHDOWMFR-QHCPKHFHSA-N 490.604 5.963 30 20 JKED CC1CCC(OC2CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC2)CC1 524678028 IVNKBZYIBREDPD-UHFFFAOYSA-N 460.578 5.402 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 557541514 QNEUNRZGRFWALN-ZDUSSCGKSA-N 498.452 6.414 30 20 JKED CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)cc1 588085317 MLECPJDIFPZIIB-UHFFFAOYSA-N 470.569 5.664 30 20 JKED CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1OCC(=O)N1CCCC1 603828882 AITNTZKBWUYBRL-XMMPIXPASA-N 499.571 5.020 30 20 JKED CC(C)Oc1ccc(CCNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604138359 WDMBRFHSQSOTHM-XMMPIXPASA-N 475.976 5.080 30 20 JKED CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)c(Cl)c1 604507076 AAMFSDUALMDAHW-OAQYLSRUSA-N 483.355 5.648 30 20 JKED COC(=O)c1cc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1Cl 608784984 NCVMURDPLHLFFJ-UHFFFAOYSA-N 451.885 5.372 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1Cl 609065080 VBXHDDVPQUJOTJ-UHFFFAOYSA-N 489.988 5.411 30 20 JKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1 609097477 FWXOOPHUEDROMK-XMMPIXPASA-N 458.949 5.096 30 20 JKED N#Cc1ccccc1COc1cccc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 609432635 BUBASEMFQSJRNJ-RTBURBONSA-N 456.430 6.136 30 20 JKED C[C@H](Oc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1)c1ccccc1 613403006 ANULUMXTLVVBTI-KBXCAEBGSA-N 467.472 6.340 30 20 JKED N#C[C@@H](C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc2cc(Cl)ccc2s1 613407613 ZQFDFSSLMRTGBC-SFHVURJKSA-N 463.946 5.368 30 20 JKED CC(C)Cn1cc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(C(F)F)n1 622517178 BPLRLOQGQCMZEI-INIZCTEOSA-N 499.402 5.728 30 20 JKED C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccc(Br)cc1 644507873 XMVSNVBKAADICT-UHFFFAOYSA-N 495.805 5.807 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2[C@@H](C)c2cccnc2)cn1 726118397 MNWGOPUKQRKMJG-MHECFPHRSA-N 498.612 5.173 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CC[C@H](C)OC)C2=O)cc1 726396571 FPKABGIPGLDIHV-KKSFZXQISA-N 490.025 5.124 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCOCC)c1 726410007 BDHUKHWWWUPGCX-JOCHJYFZSA-N 484.021 5.017 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccs2)cc1F 726410079 FQPUNQXTFMAZKD-NRFANRHFSA-N 499.589 5.065 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)cc1F 726414512 BGGSRIGHULFIBI-FQEVSTJZSA-N 487.940 5.241 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2cccs2)C1=O 726422155 SZBKPEHXGVOTTO-PDNRQDKUSA-N 485.656 5.408 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)COC3)[n+]2ccc3c(c2)CCCC3)c1 726573266 VEAMPVBDFFLOQB-UHFFFAOYSA-O 453.587 5.188 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCO[C@@H](c3cccc(F)c3)C2)c1=S 727425039 GRAAQSCDMWPLHH-OAQYLSRUSA-N 474.989 5.003 30 20 JKED C#Cc1cccc(N(Cc2ccco2)C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1 728182434 PSZCNKCZKKQOBO-UHFFFAOYSA-N 465.534 5.790 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2ccccn2)c1 728424551 DGPNJDXPBOJSPU-DEOSSOPVSA-N 483.597 5.237 30 20 JKED CC(C)CCN(CCC#N)Cn1nc(-c2cccnc2)n(-c2ccc(Br)cc2)c1=S 728901363 GTAKLUIXBJEIRU-UHFFFAOYSA-N 485.455 5.447 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 729142761 KYOHDLKKCHUQGS-QFIPXVFZSA-N 486.622 5.765 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNCCCOc2ccccc2)cs1 729150009 TXLQTYDTIGRCHT-UHFFFAOYSA-N 462.497 5.239 30 20 JKED CC(=O)N(c1nc(COC(=O)c2cc3ccccc3n2CC#N)cs1)c1c(C)cc(C)cc1Cl 729767362 FTEHFHAVOFISKU-UHFFFAOYSA-N 492.988 5.933 30 20 JKED CC(C)(CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1c(Cl)cccc1Cl 729881044 JWBQMJSCCVYBHD-HXUWFJFHSA-N 480.395 5.681 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2cccnc2)cc1C 730942319 MLRSFPREGFJDSA-CVDCTZTESA-N 458.587 5.420 30 20 JKED CCN(Cc1ccccc1)c1ccc(C=Nn2c(S)nnc2Cc2ccc(OC)cc2)cc1 744747121 WPAUEDFFPGZYSR-UHFFFAOYSA-N 457.603 5.075 30 20 JKED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1 744935693 DWTGDASUVIKSRE-OAHLLOKOSA-N 488.352 5.255 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c1 747602137 YFKFGHPIWAJMES-QFIPXVFZSA-N 478.643 5.537 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(CC)CCC(F)(F)F)ccc1Cl 748184608 VCGIJKLYOPUWRO-UHFFFAOYSA-N 492.922 5.275 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCC(F)(F)F 750394292 FEYHRPLXBSMTEL-INIZCTEOSA-N 489.277 5.223 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncccc2C)c1 790640008 PYWLONGFKCRBMV-UHFFFAOYSA-N 476.385 5.330 30 20 JKED CCOc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 797186968 NMAMBYZRAOGNKH-FNORWQNLSA-N 465.458 5.237 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1[C@H](C)c1ccccn1 837299017 BCDFQDLQOMLHLI-VGOFRKELSA-N 489.557 5.020 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1Cc1ccccn1 838536165 RHWFFCYCOVCZFE-QFIPXVFZSA-N 495.004 5.213 30 20 JKED C=C(Cl)CSc1nc(C)c(CC(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)s1 849543888 BRZROWKGOPZYDF-NRFANRHFSA-N 495.114 5.071 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccc(C)c1 912771824 RETJVKZPIIDVNP-QHCPKHFHSA-N 477.561 5.303 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)s2)cc1 914909861 QDZPEXJFFKXEHW-KRWDZBQOSA-N 481.549 5.149 30 20 JKED Cc1ccccc1Nc1nc(COC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cs1 914955729 APIGPQCAROMXAI-UHFFFAOYSA-N 489.557 5.275 30 20 JKED CCOc1cc2c(cc1/C=C\C(=O)Nc1ccc(Oc3ncccc3C#N)cc1C)O[C@@H](C)C2 915860289 QWECACHCIRBOMG-VOCYLRNQSA-N 455.514 5.428 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccco2)C1=O)Nc1ccccc1F 916209874 TZRHYEOAAIAUJB-IBGZPJMESA-N 457.914 5.233 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(OC)ccc(Br)c2[nH]1 916905548 DPDSLMKDDCUXSU-MRXNPFEDSA-N 468.351 5.025 30 20 JKED C[C@H](Oc1ccc(F)cc1Br)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917044286 QMBHJZXIGVSTCU-CABZTGNLSA-N 487.272 5.860 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2cccc(Cl)c2C)n1 917665311 CELCYOUJVVCJNF-NRFANRHFSA-N 497.983 5.046 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)SC1=Nc1ccccc1C#N 917704274 IJFPNEGKETYUCT-KRWDZBQOSA-N 480.899 5.211 30 20 JKED C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)cc2C1=O 917749856 NUUWJRCVRMSIMT-CQSZACIVSA-N 461.370 5.007 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C(C)C)cc2)no1 920353507 LPYLYALSXAEIKB-QFIPXVFZSA-N 462.575 5.267 30 20 JKED C=C(C)CN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)SC1=S 920473344 SEIGADRALUUTOP-LZYBPNLTSA-N 483.562 5.624 30 20 JKED C=CCOc1ccc(/C=C\C(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1OC 920492761 OPGYNPMRQTZVKG-UITAMQMPSA-N 461.301 5.373 30 20 JKED N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nc(-c2c(F)cccc2F)cs1 920804785 ZGFUFXLMNQSPJC-YODVWZBWSA-N 477.374 5.998 30 20 JKED COc1ccc(CSc2nn(CN(Cc3ccc(C#N)cc3)CC(F)(F)F)c(=S)s2)cc1 921188631 BFBKKGYFLQOMKJ-UHFFFAOYSA-N 496.605 5.869 30 20 JKED CCCCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 921252231 FUTKGWYFHMSMRG-NRFANRHFSA-N 475.561 5.050 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1 929078996 YEGGMJJPDQZGQG-UHFFFAOYSA-N 463.541 5.108 30 20 JKED N#Cc1ccc(Br)c(CN(Cc2ccccc2F)c2ccc3nc(O)[nH]c3c2)c1 1657580700 WPLGBCZJPLLXRB-UHFFFAOYSA-N 451.299 5.249 30 20 JKED C=C(Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1690322536 IILQRCPSBGZZRX-FQEVSTJZSA-N 451.615 5.000 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]c4ccoc4c3-c3ccccc3)C[C@@H]21 1783540740 AFHMZBBDDJJQQC-FUDKSRODSA-N 489.616 5.014 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CCC3)cc2)C1 1785808132 QXPQNACFIGIZKO-WMZHIEFXSA-N 483.653 5.416 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cc4cccc(Br)c4[nH]3)CCC2)cc1 1785933472 KBDKYYAYRRPBGE-UHFFFAOYSA-N 479.378 5.228 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CCC2)cc1 1786102653 SHRFBWKVILCDEE-UHFFFAOYSA-N 483.653 5.582 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C[C@H]4COc5ccccc5O4)cc3)CCC2)c1 1786312644 YKJJHMGAUSHMMT-NLFFAJNJSA-N 495.579 5.291 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CCc3cccnc3C)cc2)CCC1)c1ccc(O)cc1 1786745719 XHDDPKWCBPTRSH-RUZDIDTESA-N 495.623 5.360 30 20 JKED COc1cncc(CCC(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)c1 1786842334 XNZVBZAVOFVUKP-UHFFFAOYSA-N 491.708 5.208 30 20 JKED C[C@H](C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1)n1cccc1C=O 1788159370 HENCRQFMQDNMKP-OAQYLSRUSA-N 477.681 5.047 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccsc4)cc3)CCC2)cc1C#N 1788243004 SWNCINMSWISGMZ-UHFFFAOYSA-N 473.598 5.397 30 20 JKED CCCc1onc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3ccc(CC#N)cc3)CCC2)cc1 1788778415 DTNHRNSIBXIUHK-UHFFFAOYSA-N 456.546 5.063 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnn5ccccc45)cc3)CCC2)c1 1788932514 MTRDONXMOCVXMX-LJQANCHMSA-N 463.541 5.023 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc4cc(Cl)ccn34)CCC2)cc1 1789451211 ANTNVZDGMOSBBA-OAQYLSRUSA-N 462.981 5.504 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)CCC2)cc1 1789493197 YAUXPPHXLRVVMH-MNPUUQGPSA-N 487.644 5.072 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cccc(-c4ccccc4)n3)CCC2)cc1 1789577540 FJRSWVIPCFQTMN-NDZAJKAJSA-N 478.552 5.208 30 20 JKED CC#CC[C@@H](C(=O)Nc1ccc(C2(NC(=O)c3ccn4cncc4c3)CCC2)cc1)c1ccccc1 1789600160 DJQDIYQMZDONCL-HHHXNRCGSA-N 476.580 5.279 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H](C)ON=C(C)C)cc3)CCC2)cc1OCC1CC1 1790567216 JFARZDPCKLFKRD-IBGZPJMESA-N 493.604 5.033 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1791192788 JIFUIRAPBWSPDD-INIZCTEOSA-N 493.501 5.322 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)[C@@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)cc2)CCC1 1791445718 WVJMULYPIVVAHR-WMEWVQGBSA-N 493.648 5.288 30 20 JKED N#CC1(C(=O)NC2(c3ccc(NC(=O)[C@H]4C[C@@H]4c4ccc(Br)cc4)cc3)CCC2)CCC1 1791479916 AHDGRVPVGRGPFI-YADHBBJMSA-N 492.417 5.381 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CNc4ccccc43)CCC2)cc1)c1ccc(O)cc1 1791641790 JUUFOGSCQRNDTO-CUNXSJBXSA-N 493.607 5.233 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCc4cncc(C(F)(F)F)c4)cc3)CCC2)C1 1791773520 XGSNPZZGRMPHFF-UHFFFAOYSA-N 457.496 5.133 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4[nH]cnc4-c4cccnc4)CCC3)cc2)c1 1792125444 ZSBIVZWDEAKSQH-LJQANCHMSA-N 490.567 5.160 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc5nccn45)CCC3)cc2)c1 1792127370 XCTYCYGVRCLKLA-IBGZPJMESA-N 463.541 5.023 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccoc3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792204254 SWQNJLCKZVUOOE-OAQYLSRUSA-N 481.593 5.195 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(F)ccc1C(F)(F)F)C2 1798421477 ZGXFXZMIJSQFCO-REPLKXPHSA-N 482.594 5.147 30 20 JKED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(c1)C1(CCCC1)CN3C(=O)OC(C)(C)C)C2 1802313292 UBMOHDCZHVAKFL-KOUNCHBCSA-N 493.648 5.081 30 20 JKED CC#C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(F)ccc3s1)C2)c1ccc(O)cc1 1802419564 MUGOGAAJLHTEBH-IITNATTFSA-N 490.600 5.195 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1803604412 SJBAJRYTSIIUPR-USCONSEESA-N 488.078 5.224 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C(C)(C)C)c2)[C@H]1c1cccnc1 1804865942 DIKHZCHCXOGGNR-NZQKXSOJSA-N 450.627 5.019 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)C1 1805857553 SPKRSSDKWSFYRC-VXKWHMMOSA-N 475.658 5.339 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)CC[C@H]2CNc3ccccc3C2)[C@H]1c1cccnc1 1807202388 GIYMERSKBBWAEF-WSOLHVCVSA-N 488.676 5.144 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 1808976527 QMHPXMOPXXMYFN-IGKIAQTJSA-N 453.586 5.323 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1810173424 IVQLZVYUJVVPDE-DNRQZRRGSA-N 477.992 5.569 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)[C@H]1c1cccnc1 1810181016 BKBPBNQETYXMIO-RCXJIHSJSA-N 492.063 5.631 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1810499372 CQXQJORGOYZRTD-BVAGGSTKSA-N 470.617 5.250 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c1Cl 1811419553 ICDULUOTUXLHSF-OZXSUGGESA-N 484.987 5.117 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)c2cccc3ccncc23)[C@H]1c1cccnc1 1812103768 ZXRLUMVMNVQSEB-UFHPHHKVSA-N 498.703 5.001 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCCCCC(C)(C)C)[C@@H]1c1cccnc1 1812803963 HPTXKLCNHDZNJZ-AHWVRZQESA-N 453.671 5.852 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1813057907 JOFCDGKXSPXXHW-GJZUVCINSA-N 499.577 6.044 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H](CNC(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1 1813564535 MCZUFDREJHADCU-ITYQNKPCSA-N 479.741 5.109 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(Cl)s3)[C@@H]2c2cccnc2)c1 1813864954 JDJDYSIUXUQOPG-NIJIEXERSA-N 479.005 5.057 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]1c1cccnc1 1814067115 QVAMTAUAGCJTEL-RLLPEYFOSA-N 477.571 5.225 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)[nH]n1 1814443105 MCKBYWFLWNRCGJ-VGSWGCGISA-N 454.537 5.312 30 20 JKED CC[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1)c1ccccc1 1816736316 LFPLZAFYULRXLX-ZCYQVOJMSA-N 469.589 5.100 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2cccc(F)c2)n[nH]1 1817764722 GKBGMWFIHLQLJI-VGOFRKELSA-N 461.541 5.129 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)n[nH]2)cc1 1818931678 SHPRQVBETAMQOP-VDEHWKIFSA-N 459.594 5.194 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C)nc3ccc(O)cc23)n[nH]1 1819005701 SCHMPFAJUGANCH-YADARESESA-N 473.577 5.046 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(Cl)cc3)no2)[nH]n1 1819305216 QSDGOWWEUGBZDI-KNQAVFIVSA-N 493.995 5.792 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)c2cccs2)n[nH]1)c1ccc(O)cc1 1822710432 ZXWIYNRCWBHBHG-KKLQWCBXSA-N 490.629 5.170 30 20 JKED Cc1cc(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1823192022 WSZUGEDPISSKNS-SBUREZEXSA-N 475.980 5.618 30 20 JKED Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c(F)c1F 1823216666 YTRREFMHYFFEDA-KKSFZXQISA-N 477.515 5.243 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 1823753810 IUKAEUGCQLLLGI-HXUWFJFHSA-N 466.453 5.614 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 1823886481 GTGLKUNAOCPCIJ-RUZDIDTESA-N 459.590 5.262 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCOc2ccc(F)cc2)CC1 1823969619 SAFWKFWIDRNVKR-XMMPIXPASA-N 458.618 5.207 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1824168446 HZYDUWFZNCDSLB-QPTUXGOLSA-N 491.717 5.148 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(CC#N)cc2)CC1)c1ccccc1 1824240696 BLGNTCDMHBSQQZ-IZLXSDGUSA-N 471.645 5.426 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1824952461 PFQRDHUJZXPPMU-YIXXDRMTSA-N 487.644 5.243 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824986687 DDPVKQORCXVFQK-CLJLJLNGSA-N 487.084 5.887 30 20 JKED Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2)CC1 1825765992 DWQYMMHTJDSSFL-RUZDIDTESA-N 482.584 5.069 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3cccc(Cl)c23)CC1)C(F)(F)F 1828744837 LKWXJYGTXIORBN-IBGZPJMESA-N 467.919 5.173 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1828822639 LCSXPWDEDWQPQT-BJKOFHAPSA-N 476.583 5.636 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 1828826971 PHURMZUIBACFFA-BVAGGSTKSA-N 460.622 5.078 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2cnn3C)CC1)c1ccccc1 1829033416 WSSYLDFXTRCIOC-LEAFIULHSA-N 496.655 5.004 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccoc3Cl)CC2)c1 1829864584 FIGDLORAZFTDKK-VGSWGCGISA-N 453.970 5.107 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)CC2)c1 1829899996 ZGJKTUBEOAAKQD-QHCPKHFHSA-N 467.972 5.206 30 20 JKED Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c1 1830004291 JUOLLRQOKCGWNH-SANMLTNESA-N 473.617 5.201 30 20 JKED CC(C)=CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Br)c(C#N)c2)CC1 1830257544 SOESCZKXFKOMMN-HSZRJFAPSA-N 486.454 5.300 30 20 JKED C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1830405422 DYEUYCOVWGXWGF-BVAGGSTKSA-N 482.741 5.125 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)c(Cl)c1 1830721302 BIEULUPMULDNER-DEOSSOPVSA-N 474.992 5.240 30 20 JKED COc1cc(C)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1832585909 MOZRVHYPBLQVCW-QHCPKHFHSA-N 480.008 5.076 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(C)cc3F)CC2)c1 1832625046 ROPVMJUWSRETLD-VWLOTQADSA-N 465.544 5.000 30 20 JKED CC(C)(C)CCCCCC(=O)N1CCC(N2CCC(NC(=O)CCc3cccc(C#N)c3)CC2)CC1 1833237466 DYNDYQOFSXVOKO-UHFFFAOYSA-N 494.724 5.059 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1835815735 XWRUGQQMJDDMKU-HOFKKMOUSA-N 481.725 5.380 30 20 JKED CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2CC(C)C)cc1 8658221 ONDMBFLTZKODPD-UHFFFAOYSA-N 484.025 5.331 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)Nc2cccc(C)c2C)cc1 10167824 SCGQMHLSDCJRNH-UHFFFAOYSA-O 458.434 6.511 30 20 JKED CCc1ccc(C(=O)/C(=C(/S)Nc2cc(Cl)cc(Cl)c2)[n+]2ccc(CC)cc2)cc1 10179438 YZXNXTXOEVIHCC-UHFFFAOYSA-O 458.434 6.457 30 20 JKED C=CCOc1c(Br)cc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1OC 11293580 CIIKDWOUTJZBGN-PDGQHHTCSA-N 473.392 5.531 30 20 JKED COc1ccc2cc(-c3cc(C(=O)OCC(=O)N[C@](C)(C#N)C4CC4)c4ccccc4n3)ccc2c1 11397477 WJGJORKIUGYMSU-GDLZYMKVSA-N 479.536 5.029 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccc(Cl)cc1 18972595 VJWWEHZZMBEUBG-QFIPXVFZSA-N 481.046 5.844 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nnc1-c1ccc(OC)cc1 18974970 XFCSMYKRYKJMKI-SFHVURJKSA-N 458.587 5.262 30 20 JKED N#Cc1c(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)sc2c1CCCCC2 20852061 WLUAHPOFKNLKCZ-UHFFFAOYSA-N 458.659 5.596 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 21170608 NLMOTEKLBGLWMK-BXKMTCNYSA-N 468.026 5.182 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nnc1-c1ccc(Br)cc1 22101037 IUIDKMFTHSTDJX-KRWDZBQOSA-N 496.434 5.321 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 22690198 WJMSLQXUBAFSKZ-UHFFFAOYSA-O 493.571 6.570 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(O)c2)cc1 22693595 KJHJEDJLTNMLKE-UHFFFAOYSA-O 461.485 5.148 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C)c2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22729002 KPENPFVGHIRKNA-UHFFFAOYSA-O 451.615 6.233 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)NCCc2ccccc2)cc1 22735147 DVQBCAZFFSDJTH-UHFFFAOYSA-O 482.467 5.460 30 20 JKED COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)OCCCC#N)ccc1Cl 23076198 JFPHZLLJFDPGBJ-UHFFFAOYSA-N 498.988 5.205 30 20 JKED N#CCC(=O)Nc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 23516579 IKUPLDJFJZGZBH-UHFFFAOYSA-N 477.929 5.178 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2ccccc2C)cc1 28695955 UZARBWCJCDTVOT-UHFFFAOYSA-O 478.638 5.408 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N[C@@H](C)c1cccc2ccccc12 45442162 DWPNWXQITLTKQK-SFHVURJKSA-N 476.577 5.305 30 20 JKED CCn1c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)nc2sc(C)c(C)c2c1=O 105355371 DTYODHMMPAKPIB-UHFFFAOYSA-N 475.039 5.096 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 106114711 FZYJDVJCPZWSAK-UHFFFAOYSA-N 454.511 5.620 30 20 JKED C=CCN(C(=O)CCS(=O)(=O)C1CCCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 107774255 KWFCRJCFYCMXDW-UHFFFAOYSA-N 473.447 5.383 30 20 JKED N#C[C@H](C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 216009156 ULTYDLJVFPHNKL-MRXNPFEDSA-N 466.931 5.985 30 20 JKED C[C@H]1CN(c2ccc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2F)C[C@@H](C)O1 227058919 LOKPJKJICZAHJF-IXDOHACOSA-N 470.614 5.080 30 20 JKED CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 302932237 HBVOCEYOLPJVCR-DENIHFKCSA-N 451.979 5.450 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccco2)ccc1Cl 302991355 WHXLBFFJFSPKFL-KRWDZBQOSA-N 458.967 5.148 30 20 JKED C=CCn1c(SCc2cccc(NC(C)=O)c2)nc2scc(-c3cccs3)c2c1=O 410180394 YGBLXKZIKRKBAR-UHFFFAOYSA-N 453.614 5.623 30 20 JKED C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2)C[C@@H](C)O1 410366727 RAGRGSJSIOJNIP-DHIUTWEWSA-N 498.627 5.263 30 20 JKED CN(C)CCOc1cccc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 410408450 SQBJXTFKFPRWHO-XMMPIXPASA-N 462.981 5.258 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(F)c(F)c2)c1 489195574 HNBGBZSAPIOJDT-UHFFFAOYSA-N 490.959 5.272 30 20 JKED Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)cc1 494412340 HSRFYZMLGIDWME-IBGZPJMESA-N 469.397 6.429 30 20 JKED C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1c(F)cccc1F 496804394 UBHYQTICQOOILC-JTQLQIEISA-N 463.328 5.679 30 20 JKED CCc1nc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)nn1-c1c(Cl)cccc1Cl 501312506 PSRHFLQPRYFFOB-NSHDSACASA-N 454.239 5.040 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c2)cc1 501446098 RXLIONQPQCRSAF-UHFFFAOYSA-N 461.521 5.836 30 20 JKED CC(C)CC(=O)N1CCC(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 502122475 LAUATSVDPSGQHH-QFIPXVFZSA-N 452.986 5.154 30 20 JKED C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1 506015870 ZGDQAKUCDMOVEW-MZNJEOGPSA-N 487.991 6.162 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c(OC)c1 508246501 ABMSZBJMZUPRAZ-HSZRJFAPSA-N 473.529 5.745 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 508561118 OSJSRUBAIPKDJF-UHFFFAOYSA-N 466.497 5.304 30 20 JKED C[C@@H](NC(=O)CC12C[C@@H]3C[C@H](C1)CC(C(=O)N[C@H](C)c1ccc(C#N)cc1)(C3)C2)c1ccc(C#N)cc1 509960157 ZYFTZLUZWBAMFS-MCTOQYNQSA-N 494.639 5.461 30 20 JKED CCc1nc(CN2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)CC2)cs1 510620687 YFACRSVZMBHBOI-UHFFFAOYSA-N 482.009 5.373 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2[N+](=O)[O-])n1 513686785 FYSOQFMWHJNTCP-ZDUSSCGKSA-N 452.542 5.611 30 20 JKED C=CCn1c(SCc2csc(C(=O)OCC)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 514434383 CHWRGYQHBRKDKN-UHFFFAOYSA-N 483.640 5.545 30 20 JKED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nnc1-c1cccc(C)c1 515175663 BFMSZVFDCJBYEA-UHFFFAOYSA-N 462.623 5.409 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3cc4c(OC(F)F)cccc4[nH]3)s2)cc1 517464109 FHYBIAVWDHJBRD-UHFFFAOYSA-N 457.487 5.037 30 20 JKED C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C2CC2)o1 517465679 BGMRXWVXEPSZOS-KSSFIOAISA-N 491.535 5.557 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC(F)(F)F 518129894 CYIGMRVGWVRGHW-CQSZACIVSA-N 492.552 5.027 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 520132000 BKVJQRGBLPPILG-RUZDIDTESA-N 453.521 5.186 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 520194343 PXROSSHJGGYLCQ-IAGOWNOFSA-N 464.616 5.035 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CC=C(c3cccc4ccccc34)CC2)cc1 521208777 DDPPSSYCHBFNOK-UHFFFAOYSA-N 473.576 6.806 30 20 JKED Cc1ccc(-c2nnc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)s2)c(C)c1 521296580 XVIMHMAAFUEBLM-UHFFFAOYSA-N 456.575 5.468 30 20 JKED COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 523256145 VPPWLRPRDRTDHX-NRFANRHFSA-N 478.017 5.521 30 20 JKED CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1 524393330 ZNWMCNFPIZOHNJ-UHFFFAOYSA-N 498.004 5.072 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 582921969 TZZNXIITBYKGHK-ZDUSSCGKSA-N 484.931 5.713 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)n1 591615050 ZRBSJSOIEVLBAJ-OAQYLSRUSA-N 481.961 5.264 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)s2)cc1 603649103 WQGZQGLRBZTLHZ-KBPBESRZSA-N 476.446 5.637 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1 604004021 VVLAIKNMXKLCIJ-UHFFFAOYSA-N 488.012 6.214 30 20 JKED COc1ccc(NC(=O)[C@H](Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc2)cc1 604045940 LCZZCNARFXLVRB-GDLZYMKVSA-N 477.564 6.132 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)NCc3cccc(NC(=O)c4cccc(F)c4)c3)s2)cc1 604083060 IGRXWWUXSDEPIL-UHFFFAOYSA-N 485.544 5.319 30 20 JKED CC(C)(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 604444649 MHLXWCZQLZSULT-HSZRJFAPSA-N 475.976 5.428 30 20 JKED N#CCCCOc1cccnc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 608883289 GMEIWIWWUVXGDT-UHFFFAOYSA-N 461.572 5.167 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)c1 609063794 BSNUEIXYTFOHKF-UHFFFAOYSA-N 471.582 5.104 30 20 JKED COc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609080094 SRUOYORVUPQVLZ-NRFANRHFSA-N 463.921 5.445 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 609080657 LHXUFJLPSBRLJF-JOCHJYFZSA-N 456.590 5.602 30 20 JKED CCN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)[C@@H](C)c1ccc(F)cc1 609088151 TUMZBKXBPDZSJR-IBGZPJMESA-N 459.521 5.133 30 20 JKED N#C[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(OCc2ccccc2)cc1 609172893 FRTJKRZQBXDZNQ-VWLOTQADSA-N 469.566 5.535 30 20 JKED N#Cc1ccc(CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(F)c1 609229537 ATDUMOZALCGSQS-UHFFFAOYSA-N 475.423 5.706 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 609254829 RWJKVEVYCGUQTN-XMMPIXPASA-N 488.975 5.694 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccccc1F 612653192 GLRVCEHWFKGDIC-UHFFFAOYSA-N 487.532 5.403 30 20 JKED O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 623851385 VGNOTBWULXMZKJ-ZIAGYGMSSA-N 465.369 5.285 30 20 JKED Cn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2scc(-c3ccccc3)c2c1=O 645089932 FKPBTYVAOBLRGM-UHFFFAOYSA-N 484.606 5.505 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 726397449 HWVRMJKDFBMVPF-UZUQRXQVSA-N 479.577 5.364 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 726398582 KZUJECSOHLJBMI-SBUREZEXSA-N 479.577 5.364 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(C(C)C)cc1 726399274 NAWHDZLQZIKABJ-UUOWRZLLSA-N 495.645 5.398 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(CCC(C)C)C2=O)cc1 726410187 YCDSXVQDPQQUGE-QFIPXVFZSA-N 497.020 5.421 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2F)cc1F 726413652 ZFZYDHNDHWFEIG-QFIPXVFZSA-N 499.514 5.273 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 726754880 VSDNGHVDTZOIMH-UHFFFAOYSA-N 499.368 5.450 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(SC(F)F)cc3)C(=O)N2CC(C)C)cn1 726886935 BTVMIVGFAMISMO-QGZVFWFLSA-N 494.589 5.021 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)/C=C\c2ccc(Br)cc2)cc1 727356971 NGUOLNVEIIFDPX-PEZBUJJGSA-N 483.387 5.507 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCC[C@H]1c1ccccc1C(F)(F)F 728129719 ZUMNFCVLABBFTL-HSMVNMDESA-N 476.383 6.461 30 20 JKED N#CCOc1cccc(NC(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)c1 728218501 DQAOFDVTZAOUOY-UHFFFAOYSA-N 451.910 5.022 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730459779 NZWBBWJSASLFHN-LJQANCHMSA-N 477.508 5.227 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C1CCCC1 730520998 AMPSWJJWJHQUHM-HSZRJFAPSA-N 481.618 5.169 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c3ccc(C#N)cc3)cs1)O[C@H](C)C2 730690650 BFNNDWKFZVXCMN-MBKCZMESSA-N 469.566 5.384 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1C 730711591 FNOSQBMKFYCMSN-XMMPIXPASA-N 484.581 5.605 30 20 JKED COc1cccc(OCc2nnc(S)n2N=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)c1 731151853 QFPVMYCUEBWQNB-UHFFFAOYSA-N 497.024 5.309 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)c(C)s1 731305872 HKTWIUUAGNZZDS-KSFYIVLOSA-N 479.627 5.792 30 20 JKED N#Cc1cccc(CNC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)c1 746543162 QAVYVSFMFAVVFJ-ZHZULCJRSA-N 479.561 5.128 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCCOC2CCCC2)C1=O)Nc1ccccc1 747044292 RLDNNOVSVAHHLR-QFIPXVFZSA-N 487.572 5.274 30 20 JKED N#CCOc1cccc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)c1 747380966 KWLWTSOIPOUFOP-UHFFFAOYSA-N 450.086 5.112 30 20 JKED C=CCN(C(=O)CSc1nnc(C(C)(C)C)n1N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 748167625 ZDXLEAXLGRODFQ-UHFFFAOYSA-N 497.477 5.031 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(SC(F)F)cc1 799210623 VFFOBZNEQXIFEX-GOSISDBHSA-N 493.988 5.557 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cc(Cl)cc(Cl)c1 799223096 DJPVZPKZKGYZMF-SFHVURJKSA-N 464.374 5.176 30 20 JKED COc1ccc(-c2nc(SCC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)nc(O)c2C#N)cc1 824952713 DHVHNHOGHLUQKV-SFHVURJKSA-N 498.608 5.732 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@H](C)c3cccnc3)C2=O)cc1 837522764 WMLDCDWCKUIKIC-UZUQRXQVSA-N 472.570 5.006 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](C)c2ccccn2)C1=O 837551716 KHHCPPZLZJZXQD-KSFYIVLOSA-N 495.004 5.465 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1 837742234 ROFWEYFYOHFHJH-YCRPNKLZSA-N 466.513 5.081 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1[C@@H](C)c1ccccn1 838534349 ITRREAVPIDSNET-CYFREDJKSA-N 488.613 5.429 30 20 JKED C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12)c1ccc(C#N)cc1 915678420 LWTGMFGTCMOCBG-UQBPGWFLSA-N 451.574 5.298 30 20 JKED CC(C)CN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1ccc(F)cc1 916210593 FIRWOCVWKDIGMR-SFHVURJKSA-N 478.933 5.004 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(OCC)cc1 916215621 VWQUZPIUGFKKPR-FQEVSTJZSA-N 475.998 5.118 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 916628005 HHPNUYYBACZJIT-PZJWPPBQSA-N 463.990 5.501 30 20 JKED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c1 916693176 BKGWQAMSDUECLJ-XSMVLQQNSA-N 497.020 5.064 30 20 JKED Cc1ccc(N2C(=O)C[C@H](C(=O)[C@@H](C#N)c3nc4ccccc4s3)[C@H]2c2cccs2)cc1 916846209 LKTXPYHJIYDWOM-IXFSTUDKSA-N 457.580 5.637 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 916899638 KXQDQJYLHAGZFR-MAUKXSAKSA-N 496.658 5.108 30 20 JKED N#C[C@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1 916904899 KDKQVTQTWLJNEX-QGZVFWFLSA-N 492.507 5.491 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1 916954475 IDVUCJOCAMPOKF-UZUQRXQVSA-N 465.557 5.418 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997151 RXSXYFPYECLUGI-KRWDZBQOSA-N 468.365 6.581 30 20 JKED N#C[C@@H](C(=O)COc1ccc2c(c1)CCC(=O)N2)c1nc(-c2ccc(Cl)cc2Cl)cs1 916997509 VGHXKOLXBPKWQI-INIZCTEOSA-N 472.353 5.257 30 20 JKED N#C[C@@H](C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)c1nc2cc(Cl)ccc2s1 917047465 XZTNZIGXKNDNFL-LSPINASFSA-N 488.985 5.539 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OC(F)F 917143671 MOASZJHCQATFEG-DJWKRKHSSA-N 462.630 5.517 30 20 JKED FC(F)(F)c1nc(NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc2n1 917215653 YCJWLLVRVHCQQC-UHFFFAOYSA-N 459.435 5.342 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])s2)cs1 917559804 NPZPKOUFIPWOJD-FMIVXFBMSA-N 489.578 6.669 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1[C@H](C)c1cccnc1 917661977 VCICOQNCSYXLQN-DVECYGJZSA-N 487.629 5.178 30 20 JKED COCc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2C)c1 917664734 NZMRNARPILIHBW-XMMPIXPASA-N 491.588 5.441 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccsc2)c1 917666178 CRYNVFKUDDKSQD-HXUWFJFHSA-N 469.563 5.056 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCN3CCC[C@H]3C2)C1=O)Nc1cccc2ccccc12 917672114 CCEALBIFHKNKJJ-FXSPECFOSA-N 498.652 5.427 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccccn2)C1=O 917700583 LKFUFUVTKQEQTD-RUZDIDTESA-N 496.592 5.404 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 917704640 WDSPSMVLTSHOJV-QFIPXVFZSA-N 474.973 5.372 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c1 917712114 DWZKSOMRPVFPDW-CCDWMCETSA-N 490.673 5.397 30 20 JKED CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 917876138 FJQJHVLQLCNTMW-UHFFFAOYSA-N 461.326 5.313 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 920108943 LIWAUHJLSJQEEJ-LRDDRELGSA-N 452.860 5.517 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCC#Cc1ccccc1 920117860 LZHFVYIYFARCBR-KRWDZBQOSA-N 460.580 5.281 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2)no1 920355093 KBHOLFXHZXMFBU-HSZRJFAPSA-N 470.554 5.297 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)SC2=Nc2ccc(F)cc2)no1 920355634 OSQVGODTVVQIKI-FQEVSTJZSA-N 486.956 5.244 30 20 JKED CCN1C(=O)C(=NN=Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)c2ccccc21 920364938 KQQNWUDINUCARL-UHFFFAOYSA-N 485.491 5.036 30 20 JKED CCOc1ccc(C=Nn2c(S)nnc2COc2cc(C)ccc2C(C)C)cc1OCC 920987121 GLRXGEPSQMKYFI-UHFFFAOYSA-N 454.596 5.257 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3occ(Cl)c3c1)C2 1779513777 UNCHUIVRAQZDAK-ATIYNZHBSA-N 473.013 5.206 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4c5ccccc5n5ccsc45)CCC3)cc2)C1 1785808653 VMOKAHXMLOUXKW-UHFFFAOYSA-N 455.583 5.868 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)C3(F)CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1785862517 TXOVZUNYVKPSQJ-IBGZPJMESA-N 487.616 5.072 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)CCc3ccsc3)CCC2)cc1 1786546423 VFWAMOVRVLCUFM-QFIPXVFZSA-N 497.661 5.284 30 20 JKED N#Cc1cccc(CCC(=O)NC2(c3ccc(NC(=O)c4scnc4C4CC4)cc3)CCC2)c1 1787182874 PKYVVQLBBRUAON-UHFFFAOYSA-N 470.598 5.273 30 20 JKED Cc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1787332774 XWVWWCFAVXHWMQ-UHFFFAOYSA-N 451.643 5.090 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CC=C(C)CC3)cc2)CCC1 1789109283 DOGQHDDXTLINHW-NFBKMPQASA-N 481.637 5.336 30 20 JKED C=CCCC(C)(C)C(=O)NC1(c2ccc(NC(=O)Cc3ccc(NC(C)=O)cc3)cc2)CCC1 1789175561 OLZXNSJHDFUMRN-UHFFFAOYSA-N 461.606 5.314 30 20 JKED COc1ccc2[nH]cc(C(=O)Nc3ccc(C4(NC(=O)c5cccc([C@H](C)C#N)c5)CCC4)cc3)c2c1 1789275181 XRKPTUIJEGHFKU-LJQANCHMSA-N 492.579 5.865 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@]3(C)C[C@@H]3C)CCC2)cc1 1790518972 BFOUVJIXAQQQEY-RKVCDUFXSA-N 469.626 5.026 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)Nc3ccc(C4(NC(=O)c5cccc6ncsc56)CCC4)cc3)c2c1 1790835956 HTDOQUNWWMNYRJ-UHFFFAOYSA-N 492.564 5.106 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)OC(C)(C)C)CCC2)cc1 1791589810 IAZLPJSLLYABSW-AJSBUHFISA-N 481.637 5.265 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CCOc4ccccc4)CCC3)cc2)c1 1792122670 QIGRJXKZZJNHSF-NRFANRHFSA-N 467.569 5.530 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)C[C@H]4OCCc5ccccc54)CCC3)cc2)c1 1792123127 JZDFZEQBZOONDL-LYZGTLIUSA-N 493.607 5.765 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(Cl)c(Cl)cc3F)cc2)CCC1 1792174879 FBIDMNUFWUSAPQ-CQSZACIVSA-N 480.367 5.681 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3oc(-c4ccccc4)cc3[nH]1)C2 1798337826 IIDGXVJXKKHQBM-LRSLUSHPSA-N 457.574 5.448 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1cc(F)ccc1Br)C2 1798590735 HGRMPZLIIMJENS-ACDBMABISA-N 479.434 5.151 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(CC#N)cc2)C3)c1 1800781873 WJVFEYVXQPYZAT-BKFWDETESA-N 494.433 5.204 30 20 JKED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2ccc([C@H](C)C(F)(F)F)cc2)c1 1801461440 XXJXEVQUHCIVME-ZFWPHHPHSA-N 483.534 5.027 30 20 JKED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Br)cccc1-c1ccccc1)C2 1802307961 VXOWYQOYMUXTKN-WKCHPHFGSA-N 479.418 5.171 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[C@H]1c1cccnc1 1802930918 CAGUITTWNFRDGR-WJNCPCKPSA-N 463.597 5.023 30 20 JKED Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)[C@H](S)C(C)C)[C@@H]2c2cccnc2)c2ccccc12 1803605391 CCBMYBCKCFVHFK-KEKPKEOLSA-N 489.685 5.136 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(-c4cc[nH]n4)n4ccccc34)CC2)C1 1804862213 MDWZZNZBZYXQDQ-UHFFFAOYSA-N 487.648 5.167 30 20 JKED O=C(NC[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1cccnc1)c1ccsc1 1805423536 XXCFFTQDVBXLTE-IXCJQBJRSA-N 491.616 5.176 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1809094837 BSOVRFDMLDFWQS-FKCDAAJZSA-N 468.601 5.026 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1810173771 QLLHLVLGYHEGRX-CWHUZLPRSA-N 496.655 5.389 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccsc3[nH]2)[C@@H]1c1cccnc1)c1ccccc1 1810443374 HKYRCFCDMDBTGZ-KYPHJKQUSA-N 496.636 5.141 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC)cc2Cl)[C@H]1c1cccnc1 1810503443 PTZYELYZMUUOIV-XXBNENTESA-N 470.013 5.056 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(Br)c4ccccc4c3)C2)CC1 1810761833 RXGOPYDCRSWSSU-LJQANCHMSA-N 483.450 5.659 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C23CCC(CC2)CC3)[C@@H]1c1cccnc1)c1ccccc1 1813565945 UCWRIGMUCGGDAJ-XEYFGNSSSA-N 483.656 5.255 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc4cc(Br)ccc4c3)[nH]n2)C1 1814395480 WXBRKPFXRKCIIQ-QFIPXVFZSA-N 493.405 5.598 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1814440477 SGVROPFPGCNROV-ZCYQVOJMSA-N 491.680 5.306 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2ccc(F)cc2F)n[nH]1 1815145921 DKLRLPQYIPZNLJ-HXUWFJFHSA-N 474.577 5.241 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)n[nH]2)c1 1815536320 UKFHVIMIZMCLOI-NELJVSICSA-N 493.489 5.319 30 20 JKED CC(C)n1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C(F)(F)C(F)F)n[nH]2)c(C(F)(F)F)c1 1815542103 POYNSRQISKUZSU-CQSZACIVSA-N 497.415 5.017 30 20 JKED Cc1nc2cccc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)c2s1 1818538536 NAMWAMSTDTWXAA-QMHKHESXSA-N 498.612 5.575 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4[nH]ccc4s3)n[nH]2)c1Cl 1818790236 IIPMXIVSUTVSNH-QGZVFWFLSA-N 478.965 5.097 30 20 JKED COc1ccc2oc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)cc2c1 1819004097 PRBZLHCOWPCRCN-UZUQRXQVSA-N 497.555 5.411 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)[nH]n1 1819307657 KDWHEJZKTKTHND-OXQOHEQNSA-N 460.500 5.503 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)[nH]n1 1819554083 DHTJXPLSVDFWAC-HXUWFJFHSA-N 478.622 5.227 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)c(F)c3Cl)n[nH]2)C1 1820171770 NTRIBOFQINVMGO-MRXNPFEDSA-N 484.881 5.493 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](C(F)(F)F)CC3)[nH]n2)c1 1821325788 CQZLRUWDIDYRJY-CUWPLCDZSA-N 487.526 5.264 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cccc(C#N)c4Cl)[nH]n3)cc2s1 1821440760 ZUQCZMYVPBJAJY-LJQANCHMSA-N 492.992 5.406 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc3c2oc2ccccc23)n[nH]1 1821610987 GDMNLDMBCCVLDX-HXUWFJFHSA-N 478.499 5.826 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ccc(Br)cc3c2)[nH]n1 1821924836 IZVCMXUDSPWNGL-BTYIYWSLSA-N 496.409 5.239 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3F)[nH]n2)c1 1823210279 BGJIFAQVRLTDKW-NYHFZMIOSA-N 479.943 5.449 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CC(C(F)(F)F)(C3)C4)[nH]n2)c1 1823212901 YQZJKWYUOZSMOS-VKCNZIPGSA-N 485.510 5.075 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccnc4ccccc34)[nH]n2)c1 1823215629 YPCNVUYBQSQBNT-AVRWGWEMSA-N 478.556 5.205 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(C(F)(F)F)cc3Cl)[nH]n2)CCC1 1823379627 HYRGIBWWQHXHTQ-QGZVFWFLSA-N 479.890 5.082 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)ccc2C)CC1 1824760118 CGEDZAHGNOVFHN-LOSJGSFVSA-N 497.680 5.006 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 1824955552 KCXVESHCIPEFQX-BBVWWWHTSA-N 456.696 5.355 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)n3ccccc23)CC1 1826691388 RQRHMCVGAAMRNH-RUZDIDTESA-N 468.601 5.143 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCc2c[nH]c4ccccc24)CC3)c1 1827693022 JSOKLBWPUGCHMI-LAUBAEHRSA-N 497.624 5.110 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccnc4ccccc34)CC2)c1 1828002515 LETAJYALTLQLEB-PIKZIKFNSA-N 480.612 5.409 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3cc(Cl)ccc23)CC1 1828686583 YVXYVOZPUPKVHM-REWPJTCUSA-N 469.029 5.218 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sccc2Cl)CC1 1829448981 QVVDFUYUHQDVHL-OAQYLSRUSA-N 479.162 5.686 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1829573950 PBJGVGSMCWFNKN-YKSBVNFPSA-N 473.617 5.873 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccc(C)cc2)CC1 1830414056 CZWDBGWQOLNFRQ-BKMJKUGQSA-N 490.648 5.091 30 20 JKED Cc1noc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601602 FUFZSAHOJJKPSY-NDEPHWFRSA-N 495.623 5.238 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3N3CCCCC3)CC2)cc1 1830753913 GVOMGIHJKALJKT-NDEPHWFRSA-N 498.671 5.290 30 20 JKED Cc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c(C)o1 1830755453 YMLHXCFVISTBMX-HSZRJFAPSA-N 487.522 5.334 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2cc(Cl)ccc2Cl)CC1 1831240190 VIPSGFUPCIFFEU-MBSDFSHPSA-N 496.479 5.347 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1)C(F)(F)F 1831451948 QCUBKYAORQLSNS-IBGZPJMESA-N 454.533 5.237 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3cc(Br)ccc3c2)CC1 1831852252 YCUMRLHYUVHWKX-DEOSSOPVSA-N 496.449 5.034 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCOc3ccc(F)cc3)CC2)c1 1832629454 RAFFYSSOSJELFF-KDYSTLNUSA-N 491.607 5.155 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(F)cc3)CC2)c1 1832634888 XASJZMFIOOZKTD-JIPXPUAJSA-N 475.608 5.319 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)CC1 1837259356 XODKKMBMPABSBI-UHFFFAOYSA-N 491.676 5.595 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)CC1 1838264684 QRJKWYSOOSBAQL-MDZDMXLPSA-N 478.633 5.437 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)C1 1844124418 ZGOBQYQGPHUEKQ-UHFFFAOYSA-N 459.512 5.063 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)CC1CCC(c3ccnc4ccc(F)cc34)CC1)C2 1846012242 BCOVXOMHEDCGGW-UHFFFAOYSA-N 499.577 5.453 30 20 JKED CSc1nc(C2CC2)cc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)c1C#N 10711871 ZWVZXWABHFRWNR-UHFFFAOYSA-N 492.626 5.668 30 20 JKED O=C(/C(=C(\S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(CO)c1)c1ccc(Cl)s1 10757453 INKPYKKHOUKTLJ-UHFFFAOYSA-O 456.371 5.025 30 20 JKED CCc1cc[n+](/C(C(=O)c2cccc(Br)c2)=C(/S)Nc2cccc(Cl)c2)cc1 10830353 QDNODDGSKLWGNI-UHFFFAOYSA-O 474.831 6.003 30 20 JKED CC(=O)N(c1nc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cs1)c1ccc(F)cc1F 15189266 SJLCOFSWWKIGEC-YRNVUSSQSA-N 467.497 5.129 30 20 JKED O=C(C[C@H]1S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O)Nc1cccc(Cl)c1Cl 15231875 UMCQNOAYDJVITP-CYBMUJFWSA-N 462.280 5.260 30 20 JKED N#Cc1ccc(OC[C@H](O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc1 15238151 ZISUNOHXQBOENT-QFIPXVFZSA-N 476.989 5.050 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2cccc(Br)c2)cc1 15247660 YUARCSJEKWFZCR-UHFFFAOYSA-O 468.440 6.085 30 20 JKED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 16171753 VNGZIAHKHQGGJZ-DEOSSOPVSA-N 456.546 5.125 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2OC)nc2scc(-c3ccccc3)c2c1=O 21253542 GIZZUNAMCNODSV-QGZVFWFLSA-N 491.638 5.289 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2cccs2)n1Cc1ccccc1 21643437 UXKCHSCGJLSFJQ-SFHVURJKSA-N 480.684 5.812 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)n(-c2cccc(F)c2)c1C 21741077 LTDRDRIPIYTOCF-UHFFFAOYSA-N 486.576 5.294 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 22122290 XPVNGGVUCVZGCQ-BXKMTCNYSA-N 468.026 5.182 30 20 JKED N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nnc(NCc3ccco3)s1)CCCC2 24570159 BSXNEOLDIDWEKP-UHFFFAOYSA-N 490.614 5.015 30 20 JKED N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 25727370 QZDAUMTZIUSUGT-UHFFFAOYSA-N 479.989 5.306 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)cc1 29203852 OLLSSJXQCUUULJ-UHFFFAOYSA-N 468.557 5.722 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1 30478366 QVQVFKNTNUBEAO-UHFFFAOYSA-N 455.583 5.519 30 20 JKED C=CCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)c1nc(-c2ccccc2)cs1 33153199 PHIMOQGEWMHZLZ-UHFFFAOYSA-N 460.559 5.411 30 20 JKED C[C@@H]1CCc2c(sc(NC(=O)CCSc3nnc4c(Cl)cc(C(F)(F)F)cn34)c2C#N)C1 45698266 KXWOHKZAZPDAJL-SNVBAGLBSA-N 499.971 5.580 30 20 JKED CCCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C 66345547 AYZFVKWRZGNQNU-PMERELPUSA-N 482.624 6.512 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ncccc2OCCCC#N)cc1 72086236 NWCHDFZXNDTLPK-UHFFFAOYSA-N 454.530 5.492 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 105915522 MMDQXWYATQWTQT-UHFFFAOYSA-N 469.629 5.443 30 20 JKED CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)c1ccc(Br)cc1 195553188 KMKRISXTULHSFN-JOCHJYFZSA-N 493.361 5.023 30 20 JKED C=CCn1c(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)nnc1-c1ccccc1F 216790558 MZISSUOTTRCXCP-UHFFFAOYSA-N 472.545 5.498 30 20 JKED CC(C)N1CCN(c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)CC1 303038162 ZBORACMKTPDLRX-UHFFFAOYSA-N 468.601 5.114 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)c1 303230991 XTXAOHHEEMFARN-UHFFFAOYSA-N 457.551 5.319 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCCc1nc(-c2cccs2)no1 483369179 CPOZLEAYJCIUIJ-UHFFFAOYSA-N 460.534 5.673 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccc(C)cc1 487419093 KBQSENCQUYXIJC-NRFANRHFSA-N 486.519 5.139 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2cc(-c3ccccc3)sc2c1=O 487993053 MPXJEAFXQQGPQH-MRXNPFEDSA-N 477.611 5.439 30 20 JKED N#Cc1c(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)sc2c1CCCCCC2 490768719 LQDCQAGPZHHTKM-UHFFFAOYSA-N 462.040 5.485 30 20 JKED Cc1ccc(-n2c(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)nnc2-c2ccncc2)cc1 498104884 GAXXFBGJBIBUFN-IBGZPJMESA-N 486.576 5.204 30 20 JKED Cn1ccnc1SCc1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 501881024 MJZIDBGUEPTXJR-UHFFFAOYSA-N 468.582 5.610 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 502762033 YNDGDXUUNUHOQA-INIZCTEOSA-N 452.486 5.832 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 505989746 BYFKDKNHNWYLCQ-OAHLLOKOSA-N 456.955 5.706 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3OC)cc1)CC2 508254785 ZADKETYIDPINOM-UHFFFAOYSA-N 487.556 5.747 30 20 JKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CCC2 509230089 NTJFPPICFPFXEA-CYVLTUHYSA-N 471.557 5.123 30 20 JKED COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 510003794 DRNLYQKZUZIPSL-UKILVPOCSA-N 475.976 6.382 30 20 JKED COC(=O)c1cc(CN(C)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)oc1C 510009427 ISHXATOKWFNQDP-OAQYLSRUSA-N 451.910 5.347 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)cc1 511944255 VYZMNYLIZSXLRF-RUZDIDTESA-N 483.568 5.297 30 20 JKED C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 512801283 KWWLDCHBYBGGGX-OAHLLOKOSA-N 493.938 6.079 30 20 JKED CC[C@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 513872726 MJIYAHQPFZDQHQ-IBGZPJMESA-N 458.537 5.460 30 20 JKED Cc1ccc(Oc2ccccc2NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 515236322 ZKBKDKLPCXNMBV-UHFFFAOYSA-N 469.501 5.261 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl 516079458 CWAROAKECYYUCP-DEOSSOPVSA-N 492.406 6.776 30 20 JKED CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 516714179 STECGAJRUYYZIC-MRXNPFEDSA-N 487.375 5.479 30 20 JKED C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)cc1 517469742 ODQRJHONPWKZBO-UHFFFAOYSA-N 453.546 5.156 30 20 JKED CC(C)CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2ccccc2c1=O 519413090 AMNKJDMMUDGNFD-SFHVURJKSA-N 480.659 5.568 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 519871302 MKTDRPQSNUBRAM-QHCPKHFHSA-N 460.921 6.124 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 520153498 KOIPEUFVLVTUOE-OAQYLSRUSA-N 469.427 5.015 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 520194342 PXROSSHJGGYLCQ-DLBZAZTESA-N 464.616 5.035 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2)c1C 520559628 IBEHSOWSSFGLCY-UHFFFAOYSA-N 494.551 5.511 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1 521823934 UYWASXNBDKVMIL-UHFFFAOYSA-N 456.546 5.509 30 20 JKED O=C(Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1)[C@@H]1CCC[C@H](C(F)(F)F)C1 522062261 OSDCOEISOLGLJG-ZJUUUORDSA-N 486.409 6.320 30 20 JKED N#C[C@@H](C(=O)c1ccc(OCC2CCCCC2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 522182932 PUVYRNQSPDNZIK-FQEVSTJZSA-N 461.587 5.725 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(-c2ccccn2)c1C(C)C 522830938 QRVIAYPGRVNBLE-UHFFFAOYSA-N 457.347 5.121 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2oc3ccccc3c2CSc2ccccc2F)nc2ccccc21 523251517 XWPYQZGFUKKTOR-KRWDZBQOSA-N 455.514 6.241 30 20 JKED C[C@H](CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1c(Cl)cccc1Cl 523581523 YPIWXRPUVLBTMV-CQSZACIVSA-N 472.332 5.212 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2csc(-c3cc(Br)cs3)n2)c1 524113645 AVXIDNDIMARKKS-UHFFFAOYSA-N 456.293 5.359 30 20 JKED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1Cl 524380385 CDJLEIPKTRPHMW-QGZVFWFLSA-N 477.948 5.651 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)COc3ccc(Oc4ccccn4)cc3)cc2F)c1 524455842 DGILWOGWKCELLL-UHFFFAOYSA-N 469.472 5.481 30 20 JKED Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 552457464 RUNKMJRHXWUBJX-MUUNZHRXSA-N 481.552 5.373 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc2Cl)c1 556502845 LAAXGKMWKLTJMZ-OAQYLSRUSA-N 488.975 5.673 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1C 560971748 UYWWVWZIAUTSEU-UHFFFAOYSA-N 482.544 5.248 30 20 JKED Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 575893436 YXCZWWZXVZFRMD-VWLOTQADSA-N 453.586 6.127 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)n(C2CCCC2)c1C 590616768 ANYDSJPPGLUNON-INIZCTEOSA-N 463.607 5.552 30 20 JKED O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 591610248 NQCVUTVLAJRNCV-XJKCOSOUSA-N 495.464 6.099 30 20 JKED COc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 602755029 SLFMVYJAKWAAMQ-UHFFFAOYSA-N 469.906 5.723 30 20 JKED C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603806756 GZDAMLMMJSTGEV-NSHDSACASA-N 465.387 5.415 30 20 JKED C[C@H]1CCCCN1Cc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 603909125 LMLNVFSJULDMLZ-IBGZPJMESA-N 473.577 5.036 30 20 JKED CN(C(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2C#N)cc1Cl)C1CCCCC1 604009344 BWPXDQNCBJCLGU-UHFFFAOYSA-N 459.377 5.320 30 20 JKED COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)sc2n1 604193374 LMBCNMFOOCVPKI-UHFFFAOYSA-N 494.960 5.724 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](Cc3ccccc3Cl)c3ccccc3)cn2)cc1 604488532 SURBUJLVEXKYFO-RUZDIDTESA-N 496.954 5.438 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 604495351 ZCOXZXDILBUMBU-UHFFFAOYSA-N 475.401 5.593 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1SCc1cn2ccccc2n1 608876891 ZOBXOXJMKHUSEE-UHFFFAOYSA-N 491.576 6.246 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2 609079772 KGBBVWGUMJBSFO-OAHLLOKOSA-N 460.921 5.168 30 20 JKED N#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(OCc2ccccc2)cc1 609173484 RXKVSONKLDCPAP-HHHXNRCGSA-N 479.511 5.652 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2sc3c(c2c1=O)CCCC3 609370961 NBAVEFPVUGWCJM-HNNXBMFYSA-N 498.699 5.482 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1 609375976 WBOPAUJMZIMIPL-UHFFFAOYSA-N 482.561 5.363 30 20 JKED CC1CCC(OC2CCN(C(=O)C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2)CC1 609405449 JXURFCUGBDBXPW-UHFFFAOYSA-N 497.583 5.236 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)nnc1-c1cccc(C)c1 613930964 XRWTTXLEDNWGET-HSZRJFAPSA-N 462.619 5.294 30 20 JKED CC(C)Cn1ncc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1C(F)F 622517151 AVHALQDOECUTTR-INIZCTEOSA-N 499.402 5.728 30 20 JKED O=C(Nc1cccc(C=Nn2c(S)nc3ccccc3c2=O)c1)c1ccc(Cl)cc1Cl 725858462 AVDYWVNWITWWHW-UHFFFAOYSA-N 469.353 5.127 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(C2CCCC2)C1=O 726407799 VPGMCWUZUBVMJN-OAQYLSRUSA-N 482.993 5.123 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1Cc1ccsc1)c1cccs1 726415689 KEGVBGUXRZBBKE-VJKFQSQNSA-N 499.639 5.098 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C[C@H]1CCCO1)c1cccs1 726420574 ITFKARANDVASBA-HHAQARIGSA-N 493.654 5.470 30 20 JKED CCc1cccc[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(Cl)c(Cl)c1 726570891 NCZSWSWYTQOMDR-UHFFFAOYSA-O 489.835 6.692 30 20 JKED COc1ccc(C)cc1/C(O)=C(/C(=S)Nc1ccc(C#N)c(Cl)c1)[n+]1ccc2c(c1)CCCC2 726570892 NDNZIGLCASKMMX-UHFFFAOYSA-O 491.036 6.018 30 20 JKED Cc1ccc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2ccccc2Br)c1 726571463 KNJKGHMQXPDYJR-UHFFFAOYSA-O 485.814 5.893 30 20 JKED C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 726981463 USLZABMAAXCDCE-AWEZNQCLSA-N 482.487 5.078 30 20 JKED N#Cc1cccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)nc4)C3=O)c2)c1 727177807 OHOSTWIYLZYLSV-JAIQZWGSSA-N 463.971 5.591 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2csc(-c3ccccc3Cl)n2)ccc1Cl 727563634 QDAGEGKTSCMCSN-UHFFFAOYSA-N 474.369 5.529 30 20 JKED N#C[C@@H](C(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)Nc1ccc(SC(F)F)cc1 727953836 PCSGEBXZSLGTMW-LUTRRODMSA-N 456.514 5.683 30 20 JKED Cc1nc(-c2ccc(Br)cc2)sc1C(=O)/C=C/c1cnc(N2CCOCC2)s1 727974711 MTJQMIOIUVALSK-VOTSOKGWSA-N 476.421 5.070 30 20 JKED C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 728409767 SOXKVUGXLNTXOY-LAUBAEHRSA-N 483.593 5.510 30 20 JKED CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 728705149 QCBOWHSNKWIRBX-UHFFFAOYSA-N 491.956 5.070 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2CCCCC#N)cc1 728780405 SHOSYGZQTDIAPO-QFIPXVFZSA-N 499.036 5.565 30 20 JKED COc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 730579316 HPUQJYJHJVCSCB-MKMNVTDBSA-N 472.497 5.205 30 20 JKED Cc1nn(Cc2ccccc2)c(C)c1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730584578 VXWDVWYQOQAYQC-UHFFFAOYSA-N 487.416 5.196 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 731067070 USJQRNMKIBPZFU-CJFMBICVSA-N 498.608 5.570 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 731303860 CIPFKZQRHLVGGE-DEOSSOPVSA-N 491.613 5.322 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 747221312 TUUGYOTWHWSUHC-NRFANRHFSA-N 472.488 5.213 30 20 JKED COc1cc(C#N)ccc1OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 751054994 MEACFHBWGNGZOT-JRFVFWCSSA-N 454.526 5.099 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2cccs2)cc1 837912665 NAXIYBPNTRTJNB-QFIPXVFZSA-N 479.627 5.480 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1Cl 913183142 XWOJEANSJOMDJD-UHFFFAOYSA-N 489.912 5.021 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H](C)Cc3ccco3)C2=O)c([N+](=O)[O-])c1 914692120 VFHYAUWHXRDYQL-VGSWGCGISA-N 492.557 5.088 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)n2)cc1 915099877 FEZOAVINZGASIQ-HSZRJFAPSA-N 457.599 5.166 30 20 JKED N#C[C@H](C(=O)c1ccc(C2SCCCS2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 915103813 GAHVTRFEHHBEHY-OAHLLOKOSA-N 464.559 6.674 30 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N#C[C@H](C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nc2cc(Cl)ccc2s1 917046699 MJFFDQAQJFWKPG-RHSMWYFYSA-N 478.788 5.738 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1 917425302 WNODSCZFQZAXIP-QGZVFWFLSA-N 485.924 5.071 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 917508688 UJKWMYFVZUVKLE-OCCSQVGLSA-N 467.374 5.187 30 20 JKED COc1cc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)ccc1OC(F)F 917563301 OZBVSYSLNHLYQC-RMKNXTFCSA-N 478.904 5.987 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1CC(F)(F)F 917662928 GQFWGZWDTJIQPB-SFHVURJKSA-N 498.958 5.237 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 920109744 UOJKENUZUISLNX-WNCULLNHSA-N 491.591 5.083 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)c2c1C 920112472 ASMOSBCRMIGTDC-ZDUSSCGKSA-N 457.531 5.412 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2sccc2C)C1=O 920174553 UHEPPVQXLRQZNT-FQEVSTJZSA-N 493.610 5.224 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3cccc(F)c3)CCCCC2)cc1 920321880 PCDCPJGXVWBDDH-AREMUKBSSA-N 469.560 5.438 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1c(C)noc1C 920354137 ZGBCPARTBUASET-RUZDIDTESA-N 498.608 5.914 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3ccccc23)C1)c1ccccc1 1778434087 GMLPZEJVNZCKCZ-RTKAOUNRSA-N 494.635 5.165 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 1779271905 RGMUBVTWRAZPNF-PVTPYKNESA-N 488.628 5.375 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C(F)(F)F)c2C)C1 1783043850 BCKINRRXVMOOKR-PXDATVDWSA-N 480.571 5.134 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC(F)(F)C3)cc2)CCC1)c1ccc(O)cc1 1785803358 QFUDFBSFUVRANI-NHCUHLMSSA-N 480.555 5.459 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)COc3ccc(Cl)c(Cl)c3)CCC2)cc1 1785934698 KFMPEWASTWNOFA-UHFFFAOYSA-N 460.361 5.056 30 20 JKED CC(C)(C#N)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(Br)cnc34)CCC2)cc1 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5.249 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)Cc4ccc(F)cc4F)cc3)CCC2)cc1 1791377591 KVXFCINVMOEZGJ-UHFFFAOYSA-N 459.496 5.021 30 20 JKED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(-c4cccc(Br)c4)cc2)C3)C1 1792503282 OSKIKMLYZWUGCK-BKFWDETESA-N 479.418 5.334 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(c3ccc(Br)cc3)CCC1)C2 1798337436 LWXJONSQRSCKSV-KAOXLYBCSA-N 485.466 5.277 30 20 JKED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccccc2Cl)C3)cc(C(F)(F)F)c1 1800740153 JRCBVJJBMFXLOX-WKCHPHFGSA-N 489.925 5.115 30 20 JKED COC(=O)CCCCCCCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)cc(C#N)c1 1800768025 WWWASKCAQFZWLT-OOSCYNTBSA-N 495.664 5.193 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)[C@H]1c1cccnc1 1802501339 XFPZUUHCNITZGQ-ZCYQVOJMSA-N 472.589 5.049 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1802502068 DZWXWTBNOIKBCE-REWPJTCUSA-N 454.014 5.355 30 20 JKED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1803453700 GGJAJGIDBXEFEF-DFHRPNOPSA-N 494.620 5.024 30 20 JKED C=CC[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCCCC(C)(C)C)C2)NC(=O)OC(C)(C)C 1804009154 GYFTVUZQNJHXMG-GPJHCHHRSA-N 491.717 5.481 30 20 JKED Cc1ccc(CCC(=O)NC[C@@H]2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)[C@@H]2c2cccnc2)s1 1804470070 QZEKQYHQPXXTEN-KKCLFWLVSA-N 486.641 5.031 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(Br)c3OC)CC2)C1 1804866777 NGPXZOSTRKBWTD-UHFFFAOYSA-N 491.470 5.295 30 20 JKED N#Cc1ccc(C(=O)N2CCC3(CCCN(C(=O)Cc4c(F)cccc4Cl)C3)CC2)c(Cl)c1 1805211710 MSUIOFBJVJFRJU-UHFFFAOYSA-N 488.390 5.092 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)C2)CC1 1805297660 VVVJQUVEVAYSDQ-RPBOFIJWSA-N 482.716 5.212 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)C2)CC1 1805894570 RJPHYAMCSGFKSB-ISKFKSNPSA-N 497.680 5.004 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(C)cc4)CCCCC3)CC2)C1 1806030827 ZSHQZFOGAHSKQU-DEOSSOPVSA-N 466.666 5.019 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)c4ccnc(C(C)(C)C)c4)C3)CC2)c1 1807443249 VKCXRISSGFEWTA-NRFANRHFSA-N 472.633 5.165 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c(C)oc3cc(O)ccc23)[C@H]1c1cccnc1 1809282731 GKOPVNCNQOBKOZ-NBGIEHNGSA-N 475.589 5.154 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809442647 ANXOFQLFDFWPEA-UQBPGWFLSA-N 480.033 5.463 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 1810179183 ZKUOFAJYGILIFW-JXHRLWIKSA-N 489.513 5.328 30 20 JKED C#CCCCCC(=O)N1CCC2(CCCN(C(=O)c3c(CC(C)C)oc4ccc(OC)cc34)C2)CC1 1810304101 HLKMLPAAQCSSOZ-UHFFFAOYSA-N 492.660 5.678 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@@H]1c1cccnc1 1811255359 ZZRUEKDLPNDUOQ-RDPSFJRHSA-N 484.040 5.446 30 20 JKED N#CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@@H]1c1cccnc1 1811403207 LBGATUXNOPFLFC-OFVILXPXSA-N 498.549 5.381 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2nc3ccc(Cl)cn3c2C)[C@@H]1c1cccnc1 1812257758 YXEFVTSDUAYDBC-RDPSFJRHSA-N 494.039 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)[C@@H]1c1cccnc1 1812514482 UMIZGPXDKBUUIN-DFCKQENNSA-N 492.063 5.631 30 20 JKED CC#C[C@@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)CCCCC)[C@@H]1c1cccnc1)c1ccc(O)cc1 1813122460 UMJYPBWMDAJSAA-XLOIMBIPSA-N 489.660 5.207 30 20 JKED C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1c1cccnc1 1813976631 RUCBRPZZSGLICA-JPYJTQIMSA-N 491.941 5.267 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)[C@@H]1c1cccnc1 1814066875 FMLPFWLZNYPLLR-ZRGHIBABSA-N 477.571 5.225 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)[nH]n1 1814444100 UAQBJCNJAQIVAX-QUCCMNQESA-N 489.661 5.088 30 20 JKED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(Cl)sc2Cl)[nH]n1 1815655100 HSJLXHJALFMLIP-ZDUSSCGKSA-N 459.424 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3cc(Cl)ccn23)n[nH]1 1817777772 LZFCZXDSKGNEOA-SFHVURJKSA-N 468.989 5.009 30 20 JKED Cc1c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](S)C(C)C)[nH]n2)[nH]c2c(Cl)cccc12 1817945552 ACZLEODBINMYOY-UTKZUKDTSA-N 474.030 5.113 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)nc3ccccc23)n[nH]1 1818605696 VNPGEZLFSGNUMT-MGPUTAFESA-N 451.958 5.129 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Cl)n2)[nH]n1 1819307737 MRJJKJVDAOQJBX-MAUKXSAKSA-N 462.381 5.186 30 20 JKED CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(C#N)c3Cl)n[nH]2)ccn1 1820218812 ZJGUYFSBDXFQRQ-HXUWFJFHSA-N 490.995 5.247 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C2CCCC2)n[nH]1)NC(=O)OC(C)(C)C 1820903447 ULSYNHYLYCZCLM-HBXUSSAYSA-N 499.656 5.008 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)n[nH]1 1821095645 BIYKECOIFMEDFP-INIZCTEOSA-N 485.304 5.073 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4sccc4c3O)n[nH]2)cc1 1821507068 OHODNRPAVAFCJI-NRFANRHFSA-N 485.569 5.016 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cc(F)ccc2Br)[nH]n1 1821917903 BGDOMNBPZPKFFS-FOIQADDNSA-N 491.405 5.148 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cccc4ncccc34)[nH]n2)c1 1823212017 QFWHYZAJSGQWIX-BCHFMIIMSA-N 492.583 5.134 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(Cl)cc(OC)c2)n[nH]1 1823258039 UQPNTHBKPBXXQL-OAQYLSRUSA-N 456.974 5.146 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(OC)c23)CC1 1823752977 ACVOWNAPKHNZKF-HSZRJFAPSA-N 465.638 5.402 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2F)CC1 1823932241 NISNLJCREZSQSX-IBGZPJMESA-N 487.360 5.033 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 1824036130 CMLSYJOZZDIWMO-ONUFWSPISA-N 487.619 5.490 30 20 JKED COc1ccccc1CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1824321716 OVWWKNKXTGSGNY-XMMPIXPASA-N 494.035 5.086 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1824497144 GXCYJRVPBXFIPA-HSZRJFAPSA-N 458.643 5.102 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1825094752 DWCDWAPANVDYOJ-YLYQOIPRSA-N 484.575 5.125 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 1826512054 YWBJDTFVRFSUSA-XMSQKQJNSA-N 450.545 5.080 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 1827728845 WJURSAQTYLPWNA-AOYPEHQESA-N 491.632 5.352 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)CC1 1827780139 XIHUBBNOQNWDBV-PGRDOPGGSA-N 498.590 5.122 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)CC1 1828830100 KYRPYGJVXFVKNF-GBXCKJPGSA-N 468.041 5.823 30 20 JKED CC1=CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)CC1 1828906275 DITJVKMZISKPSX-LOSJGSFVSA-N 456.747 5.404 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3ccc(OC)cc23)CC1 1829068524 BHQFMGOYUNJOHY-JRWCXLMHSA-N 491.676 5.802 30 20 JKED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(F)c(F)cc3nc2Cl)CC1 1829633301 VHSZWGVILAUJHJ-HSZRJFAPSA-N 487.978 5.203 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 1829781521 XNUALILMIFZLAL-HHHXNRCGSA-N 466.585 5.100 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OCC4CC4)cc3F)CC2)c1 1829958332 GOPSAFSUSVWFSS-HHHXNRCGSA-N 489.591 5.033 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@]3(F)CCCC=C3F)CC2)c(Cl)c1 1830723211 QUMLCYFQWBLWFF-BWKNWUBXSA-N 475.967 5.191 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C(C)(C)C)nc3)CC2)c1 1830766945 VNDSMOMZXZBUMO-RUZDIDTESA-N 472.633 5.106 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3cccc(OC)c3)c2)CC1 1831368906 BJLPMELPUMTUHA-FQRUVTKNSA-N 463.622 5.136 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1831515780 UBXILSWWKTXHIQ-MUUNZHRXSA-N 471.645 5.052 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1831859688 VTRZXEMSTOCGPU-VPUSJEBWSA-N 466.572 5.694 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1 1832025974 HIZPDIMEPZBDND-HRTMPFAESA-N 454.577 5.168 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1832034553 PHDJBRPNYUHNOX-HSZRJFAPSA-N 480.546 5.200 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC3(CCC3)C2)CC1 1832476905 MPKKMLBMWRQABK-DEOSSOPVSA-N 456.747 5.238 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4scnc4c3)CC2)c1 1832632218 MVDRXEKDDBWDBF-DFBJGRDBSA-N 486.641 5.470 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1 1832632789 VNQCASJGVZERJW-PIKZIKFNSA-N 480.612 5.409 30 20 JKED CC(C)n1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)CC2)c(C(F)(F)F)c1 1832783309 XOBOVYKUXHWXCR-NRFANRHFSA-N 478.559 5.015 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)CC1 1835682555 YVKGGYJJJGXBFT-SFHVURJKSA-N 484.493 5.009 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CCc3cnc4ccccc4c3)CC2)CC1 1836643131 ZJINKMORLSQMRW-UHFFFAOYSA-N 491.676 5.158 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2cccc3ccccc23)cc1 11126285 CQWBGZVCUKJUTQ-UHFFFAOYSA-O 475.584 6.754 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1C 21791695 VIAAHHOHLKWZAY-UHFFFAOYSA-N 465.937 5.035 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccc(C(C)(C)C)cc2)s1 22690298 BCDXFDFWTHFOFU-UHFFFAOYSA-O 491.674 7.007 30 20 JKED CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(C(CC)CC)cc2)cc1 22696274 AKADISKYZBHONA-UHFFFAOYSA-O 465.614 6.466 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)c1 28466962 QPAFATQDBJYSLP-GOSISDBHSA-N 454.979 5.212 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(NCCc3cccs3)s2)c1 28502505 FANNBRKRGRDRBA-KRWDZBQOSA-N 471.677 5.299 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28649240 BPBUKIKZKFXNEW-UHFFFAOYSA-O 489.661 6.046 30 20 JKED C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1 29811389 CLJMACAYZRCZFH-HXOBKFHXSA-N 491.979 5.419 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(SC(F)(F)F)cc2)nc1C 30671475 UFUQHJSALCFNLT-UHFFFAOYSA-N 457.528 5.049 30 20 JKED C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc(C#N)cc1 31434330 REGPYSLRJATSMX-AWEZNQCLSA-N 474.369 5.157 30 20 JKED COc1cc(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc(OC)c1OC 107646896 HHPANGIFWMAEHA-FQEVSTJZSA-N 450.922 5.202 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1 108590967 PKDPKGMQLHJILP-UHFFFAOYSA-N 487.940 5.215 30 20 JKED CN1/C(=C/C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)C(C)(C)c2ccccc21 207159926 WXYZWYLBFNIZIG-OVBDPADQSA-N 480.659 5.158 30 20 JKED N#Cc1ccccc1CSCCNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 410149271 VJRVFVLNJNIESL-UHFFFAOYSA-N 494.414 5.236 30 20 JKED N#CC1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2c(F)cccc2Cl)CCC3)CC1 489476389 DYRRGTXNNZFDMU-OBGWFSINSA-N 459.952 6.280 30 20 JKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)n1Cc1ccccn1 490649982 NVZLTSHORFXIAP-UHFFFAOYSA-N 450.542 5.446 30 20 JKED COc1cccc(/C=C(\CC(=O)N(C)Cc2ccc(C#N)cc2)c2nc3ccccc3s2)c1 499435210 MXRKNHNAQAPBNH-HYARGMPZSA-N 453.567 5.766 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3Oc3ccc(Cl)cc3Cl)CC2)c1 501715369 FQSCAAQOAYDATE-UHFFFAOYSA-N 494.378 6.148 30 20 JKED C=CCN(Cc1nc(O)c2c(-c3ccco3)csc2n1)Cc1cc(Br)ccc1F 502168042 CXLSMYZQXAUPFO-UHFFFAOYSA-N 474.355 5.747 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(COCCc4ccccc4)c3)CC2)c1 502597748 VAMPPNODXPFIFM-UHFFFAOYSA-N 482.584 5.200 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)N(CCO)Cc2cc(Br)ccc2F)cc1 502616735 FTLVPGQAAXAEJS-UHFFFAOYSA-N 484.325 5.279 30 20 JKED N#Cc1cn(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2ccc(Br)cc2c1=O 502819939 PMUDXWDKMJMTHN-UHFFFAOYSA-N 490.304 5.826 30 20 JKED COc1cc(CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)ccc1OC(F)F 503267711 MCQDVVRTBXFUOB-UHFFFAOYSA-N 479.483 6.157 30 20 JKED Cc1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)sc1SCC#N 504832406 UJKDOCMOJQTNBR-UHFFFAOYSA-N 460.009 5.682 30 20 JKED COC(=O)c1cccc(Cc2cnc(NC(=O)c3ccccc3-c3ccccc3C#N)s2)c1 505274036 XNQGFDZRICERRA-UHFFFAOYSA-N 453.523 5.311 30 20 JKED CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 510206318 HMRVWECOBHYNMV-SFHVURJKSA-N 459.571 5.667 30 20 JKED N#Cc1ccccc1Oc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1 510673299 BBZGIGDMMYLYLS-UHFFFAOYSA-N 463.497 5.320 30 20 JKED COc1cc2c(cc1OC)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)CC2 510874620 NMAHAPWJVUZKEP-UHFFFAOYSA-N 457.530 5.309 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 511017203 WEEBGBRCMMMSIW-UHFFFAOYSA-N 463.965 5.845 30 20 JKED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 511773661 CJDDDXQPNHMBCI-DFBJGRDBSA-N 453.542 5.289 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(C)c3NC(=O)c3ccccc3F)n2)cc1 516465570 VVHKSXSMGSAZGO-NRFANRHFSA-N 469.541 6.308 30 20 JKED CS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1Cl 517077468 PPYOFABDCRXKMC-UHFFFAOYSA-N 471.991 5.128 30 20 JKED C=CCN(C(=O)c1cnn(-c2cccc(C)c2)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 517302658 AVVVDEBUQPNFQZ-UHFFFAOYSA-N 459.531 5.354 30 20 JKED CCOc1ccc(-c2nc(C)c(C(=O)[C@@H](C#N)c3nc(-c4ccc(OC)cc4)cs3)s2)cc1 517800853 LULCOIMDLRMMSI-HXUWFJFHSA-N 475.595 6.139 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(-c4cc(C)oc4C)nc4onc(C)c34)n2)cc1 518516654 QVSQWJFDJJQHLN-HXUWFJFHSA-N 484.537 6.030 30 20 JKED CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 518643456 GYKUOIPJUXPNHS-UHFFFAOYSA-N 485.553 5.497 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)cc1Cl 519107128 SKIBFUPVLBQPMI-XNMGPUDCSA-N 494.982 5.370 30 20 JKED CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520196798 CUGBAMSYNIEHLY-UHFFFAOYSA-N 499.527 5.071 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 520548373 LRQUSJNEWDZEBH-UHFFFAOYSA-N 481.552 5.579 30 20 JKED CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 520939192 MVNLSMLKFUESON-UHFFFAOYSA-N 469.520 5.976 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)cc1 523841547 JTCMIRYLEQZSKJ-CAVYSCNFSA-N 496.611 5.559 30 20 JKED Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 524383166 RDDPAADCTVZSKI-HXUWFJFHSA-N 453.546 5.238 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCc1ccccc1)Cc1cccnc1 524442448 KPCPZRYEXBOJFW-UHFFFAOYSA-N 476.580 6.118 30 20 JKED CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 524703714 RBTVHWOHFDKFDY-HHHXNRCGSA-N 469.516 5.825 30 20 JKED CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)CC2 603691733 AYWBWVZWNGUJOH-UHFFFAOYSA-N 458.518 5.133 30 20 JKED N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)o1 603860829 ZHSDNUHFCHLRPJ-UHFFFAOYSA-N 456.527 5.002 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2sc3cc(F)ccc3c2Cl)cc1 604003504 CXXXWYQGLMTFIA-UHFFFAOYSA-N 450.922 6.591 30 20 JKED Cc1nc(SCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c(C#N)c(C)c1C 604025182 GWSUURWXFMNPED-UHFFFAOYSA-N 471.026 5.325 30 20 JKED Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 608771665 HDHBXNPEGTXRLA-UHFFFAOYSA-N 499.337 5.369 30 20 JKED CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 608995701 GHCAZGDSCNOCAE-UHFFFAOYSA-N 458.562 5.475 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)o2)cc1 609055412 DBAFJOIIRSJZJU-UHFFFAOYSA-N 452.392 5.187 30 20 JKED N#Cc1cc(NC(=O)c2ccc(I)cc2Cl)ccc1OCC(F)(F)F 609057906 ZVGUQNKQUQDAKR-UHFFFAOYSA-N 480.611 5.010 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1Cl 609164351 LSPSCQFEQLMZOC-YKSBVNFPSA-N 472.976 5.878 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1coc(-c2cccc(Cl)c2)n1 609389010 RVIVSWSMPNNIOI-OAHLLOKOSA-N 458.008 6.119 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1nn(-c2ccc(F)cc2)c2c1CCC2 609389533 QZDULJJECYSBQC-QGZVFWFLSA-N 480.634 5.624 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)n2)cc1 612894707 JKFGPFDOWOELJY-QFIPXVFZSA-N 479.627 5.173 30 20 JKED N#Cc1cccnc1N1CCN(C(=O)c2oc3ccccc3c2CSCc2ccccc2)CC1 619106133 VDFRMYRABDWPBP-UHFFFAOYSA-N 468.582 5.095 30 20 JKED C=CCN(C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)c1nc(-c2ccccc2)cs1 643101320 VZCXAPLGGIPKOQ-UHFFFAOYSA-N 484.606 6.325 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 726396576 FSEKRYMWOTXBTK-BFUOFWGJSA-N 481.952 5.004 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C)c1 726397338 HQZHDOICJQUHML-HRAATJIYSA-N 474.026 5.342 30 20 JKED Cc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C#N)c(Cl)c2)o1 726408605 ZZVBIJAPWYWJPP-QFIPXVFZSA-N 492.988 5.316 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H](C)c2ccccn2)cc1F 726409467 AXNXKSKKRXFLTP-NYHFZMIOSA-N 496.539 5.090 30 20 JKED COC(=O)Nc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)ccc1F 727332493 DRWJROSFYMXVJA-UHFFFAOYSA-N 490.335 5.480 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 728025561 KCBOCIJBQSYSQJ-GOTSBHOMSA-N 479.577 5.124 30 20 JKED C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(N2CCOC2=O)cc1 728392684 MVQQBUPFCQRCOC-QGZVFWFLSA-N 474.492 5.116 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCCCC#N)cc1 728776750 DVEZSYROQNKLJY-DEOSSOPVSA-N 470.598 5.802 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(F)cc1F 728780415 SMXCOYASWWOCBB-LJQANCHMSA-N 494.926 5.411 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c1 729144589 DUJRFDCGCXAEKL-JOCHJYFZSA-N 488.638 5.210 30 20 JKED C[C@H](c1nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c(=S)n1-c1ccc(Cl)cc1)N(C)C 729472352 KRAVNMIOKNZBPC-GOSISDBHSA-N 497.068 5.052 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 729556641 ZKHFXZYANVRUAX-NFBKMPQASA-N 491.592 5.389 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2ncccc2C)C1=O 729631801 RNWFAJSTGJZUKG-XMMPIXPASA-N 488.613 5.176 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1Cc1ccc(C#N)cc1F 729819294 YPEAUQRXLYRFLT-QHCPKHFHSA-N 472.545 5.166 30 20 JKED C[C@H](OC(=O)c1sc2cc(Br)ccc2c1Cl)C(=O)Nc1ccccc1C#N 729870842 KCZBRLOOSKROJV-JTQLQIEISA-N 463.740 5.373 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)c(Cl)c3)N(C3CCC3)C2=O)c(OC)c1 730459007 DTWHMKDEBRLTJF-HXUWFJFHSA-N 491.972 5.009 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1)c1nc2ccccc2s1 730686093 MKCQDMIDLDCZSA-OPAMFIHVSA-N 481.346 6.194 30 20 JKED N#C[C@H](C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nc2ccccc2n1C(F)F 730690300 SDDAGQJRAPWXJR-OPAMFIHVSA-N 453.395 5.706 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1Cc1cocn1 730709029 MMEZYGSKSDFHDV-GOSISDBHSA-N 489.384 5.450 30 20 JKED Cc1ccc2c(c1)CC[C@@H]2N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1Cl 730714992 IYRREWLPOMWYJT-LEWJYISDSA-N 492.004 5.086 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 730943463 DCDOKPAPRWSQGV-YCRPNKLZSA-N 466.513 5.081 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 731029881 IFMCNVUDKCTJAB-IBGZPJMESA-N 480.634 5.277 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(Cc2cccc(Cl)c2Cl)C1=O 745581840 WARYKAOUZIFHNL-HNNXBMFYSA-N 490.334 5.280 30 20 JKED COCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S 746050569 QXNRYSGRZDDAAV-UHFFFAOYSA-N 461.616 5.110 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCCCC#N 747472875 GWVPILPINBWDCI-ODLFYWEKSA-N 462.955 5.576 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)c1 748421643 RHJAQCOIPAZSDP-LJQANCHMSA-N 493.995 5.153 30 20 JKED CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cs2)cc1 750392426 QJGKLOAPCFVNFJ-QGZVFWFLSA-N 483.977 5.531 30 20 JKED C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 750687756 DIUZYQBRPVIXON-NGYIFUPDSA-N 462.594 5.499 30 20 JKED CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1c(C)cccc1C 799211214 OLMJXZJUUQDWJC-KRWDZBQOSA-N 460.397 5.046 30 20 JKED C[C@@H](OC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2 825744113 GVEYEZQJQLVCBM-IIMQCXAKSA-N 466.559 5.420 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@H](C)c3ccccn3)C2=O)c1 837302526 XTSMQVLKGJKMEH-WZONZLPQSA-N 474.586 5.120 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2ccccn2)c1 837386885 CZJYSQGVHKUVLJ-VGSWGCGISA-N 462.550 5.251 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 837388952 ULUVJVOTCJSCFL-VGSWGCGISA-N 462.550 5.251 30 20 JKED Cc1cc(-c2nc(C)c(C(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)s2)ccc1F 883977406 GREPBOPWMFKGCJ-STQMWFEESA-N 468.438 6.205 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc(Cl)c2)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 913098440 CTCMMABBSGOVTF-AWEZNQCLSA-N 463.173 5.548 30 20 JKED Cc1sc2ncn(N=Cc3cc(Cl)ccc3OCc3cccnc3)c(=O)c2c1-c1ccccc1 914692759 WTSSCQZBUZLECJ-UHFFFAOYSA-N 486.984 5.943 30 20 JKED COc1ccc(C=Nn2c(S)nnc2-c2cc(Cl)ccc2Cl)cc1OCc1cccnc1 915049908 WSGWPWOHSZDJAT-UHFFFAOYSA-N 486.384 5.405 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CCc3ccccn3)C2=O)cc1 916211557 DDOGJIPHXQYMDC-QFIPXVFZSA-N 479.005 5.246 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CCCO2)C1=O 916211828 QTLJLWUZPHPIBR-PXNSSMCTSA-N 492.428 5.441 30 20 JKED COc1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3ccccc3)n2CCc2ccccc2)cc1 916622681 GUYNVAPIDUJJBL-XMMPIXPASA-N 468.582 5.165 30 20 JKED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 916722553 OUDPNXONJIMVJN-XLVZBRSZSA-N 498.624 5.130 30 20 JKED CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c2cnn(C(C)C)c2n1 916888707 ZVSGWSIPRKNASF-QGZVFWFLSA-N 471.533 5.411 30 20 JKED CC1=C(C(=O)Nc2cccnc2Cl)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cc(C)ccc1C 917379691 SLUMNXQGQJAVDE-QHCPKHFHSA-N 488.016 5.572 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(CSc2ccccc2)cc1 917505552 OBUBNBHHTRXGGW-OAQYLSRUSA-N 460.555 5.306 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 917506716 FSTCFJHLHCUULF-AWEZNQCLSA-N 477.567 5.352 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc4ccccc34)SC2=Nc2ccccc2C)n1 917663050 JEMIEIIVDXRVHV-RUZDIDTESA-N 495.608 5.407 30 20 JKED C=CC(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 917672472 GMJHIEYLOISHSU-UHFFFAOYSA-N 456.449 5.001 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2ccc(C(F)(F)F)cc2)C1=O 917702944 XRGDMZVPVSFKOB-FQEVSTJZSA-N 471.504 5.126 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCc2ccc(OC)cc2)c1 918176042 JKCSAGDLFGTHNB-UHFFFAOYSA-N 499.032 5.093 30 20 JKED Cc1sc2ncn(N=Cc3csc(COc4ccc(Cl)cc4)n3)c(=O)c2c1-c1ccccc1 918709537 OYHFZPQUFNUFNB-UHFFFAOYSA-N 493.013 6.005 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccccc2Br)o1)c1nc2ccccc2s1 920105861 GYVLGSCPQIMGKU-AWEZNQCLSA-N 452.333 5.523 30 20 JKED Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 920198067 DJLNBIDAMKJHFS-KOSHJBKYSA-N 480.593 5.590 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cc(C)on2)c1 920353613 NPMIFPMNIUFPGQ-HXUWFJFHSA-N 468.966 5.105 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2Cc2cc(C)on2)cc1 920357473 UQQXWYPVADWYOF-OAQYLSRUSA-N 498.992 5.114 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1nc(-c2c(F)cccc2F)cs1 920804267 NLNJFFNRSZKJKD-NVXWUHKLSA-N 466.513 5.209 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1C 920893663 FHKKTRMIRJMHDB-HXUWFJFHSA-N 458.562 5.388 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 920977561 PLUYJXFALNWKHG-INIZCTEOSA-N 476.920 5.843 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc3)CCC2)c1 1785790658 LBUXCRIKMMLAKW-UHFFFAOYSA-N 465.340 5.322 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)C3CC(F)(F)C3)cc2)CCC1)c1ccc(O)cc1 1785912500 GNZKHMZSSFHMBF-LJQANCHMSA-N 466.528 5.069 30 20 JKED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occc4n3-c3ccccc3)CCC2)cc1 1786361341 ZGONSDJOYXGQCV-HXUWFJFHSA-N 481.552 5.010 30 20 JKED N#Cc1ccccc1OCC(=O)NC1(c2ccc(NC(=O)/C=C\c3c[nH]c4ccccc34)cc2)CCC1 1786782059 MOGBHFAJFDMZFC-GDNBJRDFSA-N 490.563 5.266 30 20 JKED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1(c2ccc(NC(=O)CC(C)C)cc2)CCC1 1787663891 OQNLFICMEMJLLC-XMMPIXPASA-N 477.605 5.038 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1 1788649925 JLUXUCNWUIEKIB-VAWYXSNFSA-N 470.550 5.681 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cc(N4CCCC4)ccn3)cc2)CCC1 1788749647 JFKKFCBXBPKTOA-DEOSSOPVSA-N 458.606 5.198 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H](C)CCCN3C(=O)OCc3ccccc3)cc2)CCC1 1789215934 IRZWXPKYCHLODQ-QFQXNSOFSA-N 489.616 5.134 30 20 JKED O=C(CC(F)(F)F)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCC1 1790649790 RGANQJPKVRXMMO-UHFFFAOYSA-N 462.365 5.545 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5cc(O)ccc5n4)CCC3)cc2)cc1 1790707060 CNPJTFJGDWTIGL-UHFFFAOYSA-N 476.536 5.068 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)cc2)CCC1 1792206924 XJAXDKCOOHVCDU-HSZRJFAPSA-N 481.637 5.174 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C2 1793046633 DPSOAJJNWMYXJZ-BCDXTJNWSA-N 485.839 5.432 30 20 JKED CC#C[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c(Cl)cccc1Cl)C2)c1ccc(O)cc1 1802423252 IFMGNVVUMDFGCB-YSTOQKLRSA-N 485.411 5.148 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)[C@@H]1c1cccnc1 1803602794 FNJVJMLFDAKPEY-BEVDRBHNSA-N 499.986 5.028 30 20 JKED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)cc2)c1Cl 1803828330 FVMJGGZBNPZPDK-BKFWDETESA-N 469.972 5.444 30 20 JKED Cc1c(C(=O)N2CCC3(CCCN(C(=O)CCc4cccc(C#N)c4)C3)CC2)cccc1C(F)(F)F 1805333910 HFGXBAXIAAWUGF-UHFFFAOYSA-N 497.561 5.363 30 20 JKED N#CCCC(=O)NC[C@H]1CCN(C(=O)CCCCCCCCc2ccccc2)[C@@H]1c1cccnc1 1806870261 YALCRNZEODQMGQ-GGXMVOPNSA-N 474.649 5.365 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)c(C)cc2OC)[C@H]1c1cccnc1 1810503247 OZMROERIGMQOAK-DHLKQENFSA-N 463.622 5.019 30 20 JKED Cc1cc2cccc(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)c2[nH]1 1811745829 NUMVVWGBYCPUIL-LVXARBLLSA-N 497.986 5.030 30 20 JKED CC(C)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1811953795 UOMVELZGCIYIOE-JYFHCDHNSA-N 487.003 5.363 30 20 JKED C=CCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1813057844 IJAGKDLSQYXEMD-WXVAWEFUSA-N 471.626 5.270 30 20 JKED Cc1nc2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)ccc2s1 1814379863 XHTPHQZTIOPLGS-HSZRJFAPSA-N 498.612 5.138 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCCN2Cc2ccccc2)[nH]n1 1814445343 JWAVXLXCWNFBIC-ZEQRLZLVSA-N 477.653 5.059 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 1815684894 WMSFESLLYMTMJB-UTKZUKDTSA-N 458.990 5.127 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Br)c(C#N)c3)[nH]n2)s1 1816353460 CMKOGIKIYOFHPM-GOSISDBHSA-N 498.406 5.034 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3sccc3s2)n[nH]1 1819029343 WJCJPMWWFVSESA-NVXWUHKLSA-N 454.621 5.760 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3cccc(O)c3cc2OC)[nH]n1 1819309441 VLTOEGRMHIPLQO-AUSIDOKSSA-N 488.588 5.351 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C)c(C)cc2OC)[nH]n1 1819309600 XQHZZNZPNRCRLP-UGKGYDQZSA-N 450.583 5.109 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3ccncc23)[nH]n1)c1ccccc1 1819520662 OUHOKFJSFYCTBF-KCWPFWIISA-N 491.595 5.461 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(F)c3Cl)n[nH]2)c1 1821119219 OBRWAVNXCVQQOH-NRFANRHFSA-N 479.943 5.013 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2Cl)n[nH]1 1821274660 KCSLEKKDXGSXLL-OPAMFIHVSA-N 494.020 5.421 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)[nH]n2)cc(C(F)(F)F)c1 1821308727 COEQCGCXOVWVAH-CZQLGGELSA-N 493.489 5.319 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(N3CCCOC3=O)cc2)n[nH]1 1821336182 MYDOFEGYXPWGRZ-QFIPXVFZSA-N 493.608 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc3ccc(Cl)cn3c2C)n[nH]1 1821561857 HRZXYRXSSONOKB-HXUWFJFHSA-N 481.000 5.094 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)[nH]n1 1821925383 QXGAAMODVAEPBZ-VGSWGCGISA-N 456.546 5.827 30 20 JKED Cc1ccc(C2(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cc(C#N)c[nH]4)[nH]n3)CCCCC2)cc1 1822580135 MXNRKPSKPNVEIF-DEOSSOPVSA-N 484.604 5.126 30 20 JKED Cc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3Cl)[nH]n2)c(F)c1F 1823198379 YOFSXUITDFORCI-SFHVURJKSA-N 483.906 5.141 30 20 JKED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)[nH]n1 1823420244 TUDAVNQQFOUCDT-KRWDZBQOSA-N 485.407 5.106 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc3ncccc23)CC1 1823750598 CKJLVEVRUNIFCU-AREMUKBSSA-N 461.650 5.389 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1824512977 RCPDCRMAIQKMLB-YWZLYKJASA-N 487.855 5.471 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 1824784283 IROKAOZCXNFJSJ-XMMPIXPASA-N 489.701 5.070 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2Cl)CC1 1825565826 AEHLYJLFOYKFGR-UNMCSNQZSA-N 475.077 5.293 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCCCC3)CC2)cc(C(F)(F)F)c1 1826282997 XSTAPAYFZIRGNQ-QHCPKHFHSA-N 475.555 5.391 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360593 LIWXPHPSIQXAIY-SZWZIBTBSA-N 489.660 5.578 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(C(C)(C)C)c2)CC1 1828821897 UHSIOUDVTNYDMC-ZEQRLZLVSA-N 451.655 5.381 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Br)ncc2F)CC1 1829066657 PQDYVLCSCWHFCT-HXUWFJFHSA-N 494.449 5.209 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4sccn4c3)CC2)c1Cl 1829688976 TWYJQMDPVVNGHA-NRFANRHFSA-N 481.021 5.073 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)CC1 1829938789 CZZTVBCOPJYLCV-LJQANCHMSA-N 458.471 5.150 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1830471734 LHQJQPHLPPCYMX-DEOSSOPVSA-N 473.057 5.554 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2F)CC1 1830536551 VZDSSUPBJBMGMZ-GOSISDBHSA-N 496.467 5.810 30 20 JKED O=C(c1cncs1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602372 XYLPOSVUZBJVTF-AREMUKBSSA-N 483.637 5.090 30 20 JKED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccccc2Oc2cccc3ccccc23)CC1 1830795020 LDEBGNIGQJVPBA-AREMUKBSSA-N 481.596 5.779 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc3cc(Br)ccc3c2)CC1 1830931679 WYZXBALOGZHIOM-HOYKHHGWSA-N 498.465 5.443 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3c(C)cccc23)CC1 1831007144 TZSGNYKZIADEBV-QFIPXVFZSA-N 450.627 5.097 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2csc3c2CCCC3)CC1 1831445627 PQEYVZHSQSDMID-FQEVSTJZSA-N 450.595 5.072 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 1832631703 HCVNCMNFCGWGDH-CPJSRVTESA-N 469.585 5.607 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4cnccc4c3)CC2)c1 1832631875 IPOYMEDCZWGBTG-KMRXNPHXSA-N 480.612 5.409 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc4c(Cl)ccnc4c3)CC2)CC1 1838373231 CXHLVQAFQJRZMD-HSZRJFAPSA-N 496.051 5.269 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)CCSCc3ccc(C)cc3)CC2)CC1 1838374888 MOPUNAFNBCJVNQ-MHZLTWQESA-N 498.733 5.385 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)s1)=C(/S)Nc1c(C)cc(C)cc1Cl 11089518 XYZBHTJPHKOSPL-UHFFFAOYSA-O 464.463 6.573 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 11196843 RVHWPEOETXSDRZ-WAIKUNEKSA-N 453.999 5.123 30 20 JKED C=CCOc1c(Br)cc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1OC 11332810 PTIJYSBEOJKQLY-NVNXTCNLSA-N 482.161 5.649 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2ccc(OC)cc2OC)c1=S 16874410 FNKZTHWQWVYAKQ-OAQYLSRUSA-N 466.607 5.087 30 20 JKED N#CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1cccc(Cl)c1 17882929 VIVAZJLMIDKMCW-UHFFFAOYSA-N 476.993 5.454 30 20 JKED C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 20056435 OUONDGHWXFCLMG-UHFFFAOYSA-N 459.600 5.338 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2scc(-c3ccccc3)c2c1=O 20789916 LZKJINJZWLHWFQ-QGZVFWFLSA-N 489.622 5.633 30 20 JKED C=CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1-c1ccc(Br)cc1 21927587 QNWSJZXUHJBMCG-UHFFFAOYSA-N 468.376 5.601 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)nnc1-c1cccc(C)c1 22299123 QRAKBKRWWBGJPI-UHFFFAOYSA-N 483.597 5.423 30 20 JKED Cc1ccc(-c2nnc(SCc3nc4ccccc4c(=O)n3CC#N)n2-c2ccc(C)cc2)cc1 23484924 YXSQSZQUCANNAB-UHFFFAOYSA-N 478.581 5.077 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@H]1COc2ccccc2O1 23517630 PKSPYCGMVYBANR-BFUOFWGJSA-N 491.400 5.403 30 20 JKED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 29827692 ZCGRDVNYHHBESH-PEBXRYMYSA-N 489.432 5.171 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 78719904 DAELJQFVAPCECD-BCHFMIIMSA-N 453.542 5.289 30 20 JKED Cc1nn(-c2ccccc2)c(CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)c1C#N 104973716 HQAVRJIMYHWGJK-HXUWFJFHSA-N 495.612 5.264 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 108092433 ADGINQFLMTXSAF-UHFFFAOYSA-N 480.362 5.147 30 20 JKED COc1cc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OC(F)F 115221377 CPEIQFNRJOKDDU-UHFFFAOYSA-N 473.316 5.029 30 20 JKED C=CCn1c(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1-c1ccncc1 303001300 YKEAGAAITHGCHL-UHFFFAOYSA-N 473.005 5.870 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CC4c5ccccc5C3c3ccccc34)CC2)c1 409468791 DNYZVXDBLJWEGE-LWJVVSBASA-N 490.607 5.216 30 20 JKED N#Cc1ccccc1N1CCCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 478885523 MFVGDBZDADVTBK-UHFFFAOYSA-N 451.526 5.236 30 20 JKED C=CCN(C(=O)c1oc2ccccc2c1CSc1ccccc1F)c1nc(C(=O)OCC)cs1 501945770 OSNASGNIKZKUGN-UHFFFAOYSA-N 496.585 6.330 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)Cc2ccc(OC)cc2)c1 502427026 IACOANNVYNLFGQ-UHFFFAOYSA-N 499.032 5.392 30 20 JKED C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1cc(F)ccc1N1CCN(C)CC1 503258203 HBSFRBHVWHJAKR-LJQANCHMSA-N 473.552 5.124 30 20 JKED C=CCn1c(SCC(=O)c2ccc3c(c2)COC3)nc2cc(-c3ccccc3)sc2c1=O 506645418 IUEQQAAEUVIEKT-UHFFFAOYSA-N 460.580 5.316 30 20 JKED COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c(OC)c1 510005450 MZMSJQIRCZRZSF-ZCYQVOJMSA-N 475.976 6.382 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1Cl 510043186 IKYWRUAPPHADDL-LJQANCHMSA-N 474.870 5.653 30 20 JKED C[C@H]1CCCN(Cc2ccccc2CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 510089005 LMEDQZIBBYWFQY-SFHVURJKSA-N 492.674 5.256 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)NCc3ccccc3COCc3ccccc3)CC2)c1 510840115 ANANVXXUUGYESO-UHFFFAOYSA-N 455.558 5.028 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(Br)cs2)cc1 511325279 SRTMWHRKWSMZMD-UHFFFAOYSA-N 456.365 5.477 30 20 JKED CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511351302 BHSGMTLYAYWVEQ-MHZLTWQESA-N 455.558 6.099 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 512048902 HWLKGRPGJHORTN-UHFFFAOYSA-N 476.602 5.217 30 20 JKED N#C[C@@H](C(=O)c1ccc(COc2ccccc2Br)cc1)c1nc2ccccc2s1 513687354 RAAPNLJQKPRLAN-KRWDZBQOSA-N 463.356 6.128 30 20 JKED CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 513983132 LWWCHORSEBWBLV-UHFFFAOYSA-N 458.012 5.798 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 516792927 DTYOJHBRVJYFPQ-HXUWFJFHSA-N 470.554 5.279 30 20 JKED CC(C)C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)c1ccccc1 518155852 MILNATCUPWBHBP-SFHVURJKSA-N 463.525 5.553 30 20 JKED N#C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl 519486350 DLUDMJKMMVYUAN-RTWAWAEBSA-N 452.341 5.236 30 20 JKED CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 520889705 PHHHWCXGNKJJQY-FQEVSTJZSA-N 451.979 5.946 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 521278277 MQYUTCVHQXLRAC-UHFFFAOYSA-N 474.401 5.491 30 20 JKED COc1cc(CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C2CC2)ccc1O 521305543 VLFUEZCUHUKUNF-UHFFFAOYSA-N 457.530 5.242 30 20 JKED C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)Nc1ccccc1SC[C@H](C)C#N 521480160 TUEDMLQAJLPOFW-JZKQVHKSSA-N 476.465 6.305 30 20 JKED N#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1cccc(Cl)c1Cl 521768659 HHSKZNMXVSPTBY-FQEVSTJZSA-N 464.312 5.117 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 522569185 GGURMVAMEKIHRF-UGKGYDQZSA-N 464.953 5.071 30 20 JKED Cc1nc(CC(C)C)sc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 524317080 PXZKKGKIAHYHMY-UHFFFAOYSA-N 464.538 5.840 30 20 JKED Cc1cccc(COc2ccc([C@H](C)NC(=O)C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2)c1 524377824 UGCBFMAEOGDSAJ-FQEVSTJZSA-N 471.557 5.049 30 20 JKED Cc1sc2ncn(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)c(=O)c2c1C 524390648 YKEQWCADKBIXKZ-UHFFFAOYSA-N 492.988 5.208 30 20 JKED CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 524572553 GDFNJFSBFJNHKH-JOCHJYFZSA-N 485.613 5.357 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 603737461 JKTUYVJDRHSFCG-SFHVURJKSA-N 454.452 5.015 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cn2)c1 604288778 QVYITXJRJIXENZ-KBPBESRZSA-N 458.362 5.340 30 20 JKED Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1C 604362152 NMLRJQCRZDMEQI-UHFFFAOYSA-N 466.545 5.520 30 20 JKED CCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c(C#N)c1C 604394747 GUODEFDKGCGDMM-UHFFFAOYSA-N 451.982 5.125 30 20 JKED Cc1ccc(CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@@H]2CCc3ccccc32)cc1 609001068 KWXVLBILVZZYOR-HHHXNRCGSA-N 465.601 5.130 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 609020525 PHZYSTJYLUTEHU-UHFFFAOYSA-N 472.932 5.217 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1cc(C#N)ccc1OC(F)F 609066743 JORZAYBPNJNMJU-UHFFFAOYSA-N 479.867 5.827 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)cc2Cl)c1 609079551 GFDZRMICORUYTC-BKMJKUGQSA-N 475.976 6.080 30 20 JKED CC(C)COc1cccc(CNC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609088634 BKBNSIBQMGBOBQ-UHFFFAOYSA-N 491.975 5.080 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(NC(=O)c4ccncc4)cc3)cc2)c1 609434102 UREXSOBLZBADQE-UHFFFAOYSA-N 463.497 5.320 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 609436129 GWERESGXTYTZRV-RTBURBONSA-N 458.587 6.216 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3)o2)c1 613320488 ZUQSQDXAODLTPL-QFIPXVFZSA-N 496.979 6.979 30 20 JKED Cc1ccc(-c2cnc(-c3ccccc3C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)o2)cc1 613403144 DGALZRGYVGIAIN-HXUWFJFHSA-N 468.463 6.552 30 20 JKED O=C(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@H](c1ccc(F)cc1)c1cccs1 618450374 MFLRKAFKIXGMOZ-HBUWYVDXSA-N 468.438 5.156 30 20 JKED O=C(Nc1ccc(OCC(F)(F)F)nc1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642665973 QKBNATBOQMRVQH-RKDXNWHRSA-N 453.305 5.054 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)S/C2=N\CCc2ccccn2)c1 726107384 BWWYNWYOTXWJLR-DXWCKFLSSA-N 486.641 5.078 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccc2)cc1F 726413075 VWMCSHXULXVZDT-JOCHJYFZSA-N 499.514 5.273 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCc2cccs2)C1=O 726421941 QVKJPGBIUZXCMB-KAVHPSCTSA-N 499.683 5.451 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2ccccn2)C1=O 726423060 ZGOPGLKUFBIQOI-VXXYOONBSA-N 499.061 5.695 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cc(C)[nH]c2C)cc1 726571525 WSCGOXFCYPFDTR-UHFFFAOYSA-O 452.003 5.720 30 20 JKED N#CCC[C@@H](C#N)CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 726797478 JXNNKIIVXKNYNH-GZQZNAIASA-N 489.815 6.567 30 20 JKED N#C[C@H](C(=O)CCc1ccccc1OC(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 727627231 CWWVRMKKPVZQCC-CYBMUJFWSA-N 458.383 6.023 30 20 JKED COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2)c1 728108795 KCNBWFGHMMPVMA-SANMLTNESA-N 482.492 5.276 30 20 JKED CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(COc2ccc(C#N)cc2)o1 728110531 OAIMIOGXJYSOLE-UHFFFAOYSA-N 460.530 5.773 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)ccc1OCC(=O)Nc1ccccc1Cl 728232903 XXOHVHFMALNZHP-YFHOEESVSA-N 451.906 5.276 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cn2)ccc1Cl 728477056 YOYGTAMBPWBVCS-UHFFFAOYSA-N 480.348 5.161 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H](O)c3ccccc3C(F)(F)F)c2)cc1 728737642 PCQBOTNHTAJRNC-HSZRJFAPSA-N 469.463 5.206 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CCCCC#N)C1=O 728778550 SNYKACYCXZKXNT-FQEVSTJZSA-N 470.982 5.003 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(C#N)cc3)C(=O)N2Cc2scnc2C)c1C 729144897 ZXOPCFCLNYYIHI-NRFANRHFSA-N 489.626 5.101 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2sc3cc(C)ccc3c2Cl)nc1C 729517133 PXDYGBQSLIAYSH-UHFFFAOYSA-N 462.025 5.614 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2F)N(C2CCC2)C1=O 730460086 URRDJGSTENOTTI-OAQYLSRUSA-N 455.555 5.127 30 20 JKED O=C1COc2ccc(C(=O)/C=C/c3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)cc2N1 730588023 FFJHRZDFFYDOJL-VMPITWQZSA-N 450.834 5.268 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N([C@H](c2ccc(F)cc2)C2CCC2)C1=O)Nc1cnccn1 730715397 MYWSSSDQUGBLGR-QPPBQGQZSA-N 489.576 5.117 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 731072610 NUABCSAYEWWPNQ-NSHDSACASA-N 491.318 6.202 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 731114679 UQJYQJNDEPPBIB-INIZCTEOSA-N 460.550 5.330 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(SC(F)F)cc1 731303846 CBTUZAZSVUTCEB-SFHVURJKSA-N 479.574 5.467 30 20 JKED CN(C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1)C(=O)OC(C)(C)C 731400861 VYLXKTOZOMNKKQ-LJQANCHMSA-N 450.539 5.071 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1C 746696565 PRFYVDCGXGFOOW-QFIPXVFZSA-N 471.598 5.220 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 747398662 AEMORQNWTBVQCE-UHFFFAOYSA-N 459.303 5.192 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1cc(F)cc(F)c1 748579856 AEDMNSPMAVFBGX-HSZRJFAPSA-N 490.535 5.039 30 20 JKED CCCc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)nn1-c1ccccc1Cl 749049431 RPAJBDSCEZFSSN-IBGZPJMESA-N 499.958 5.627 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCN(C3CC3)CC2)c1 837398300 HRLXNRANLILPMO-VWLOTQADSA-N 490.673 5.199 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 837882224 MFJYWQYCXUMVJY-IERDGZPVSA-N 464.978 5.457 30 20 JKED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1c(-c2ccccc2)[nH]c2ccccc12 839402958 AANDCZUHBBSMNJ-UHFFFAOYSA-N 457.515 5.054 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccccc1COC(C)C 914538531 RAXIPOMPTMGTQR-QHCPKHFHSA-N 479.646 5.029 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1 914545369 AYXJZCHQMTUVOS-XMMPIXPASA-N 473.598 5.302 30 20 JKED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1ccc(CC(C)C)cc1)c1cccs1 914831529 MSYUXHATEFLCFN-AREMUKBSSA-N 471.630 5.316 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 914858815 NRXYFIUCEMKXKE-UHFFFAOYSA-N 492.988 5.364 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 915087497 UGXFHLRGZWVISB-HHHXNRCGSA-N 493.588 5.346 30 20 JKED COc1c(Br)cc(C=NN2C(=O)c3cccc4cccc(c34)C2=O)cc1Br 915945928 WSGVSMOTHNVUPR-UHFFFAOYSA-N 488.135 5.004 30 20 JKED COc1ccc(N2C(=S)N[C@H](c3ccc(C#N)cc3)C(C(=O)Nc3ccc(F)cc3)=C2C)cc1 916168713 RWAHDTMWZDAPOW-XMMPIXPASA-N 472.545 5.054 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccc(F)cc3)C2=O)cc1 916209685 QKLZOMKHJPMVHE-HSZRJFAPSA-N 493.535 5.328 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc3ccccc23)N(C2CC2)C1=O)Nc1ccc(F)cc1F 916217187 HKTUWVHJZFDRAO-OAQYLSRUSA-N 451.498 5.241 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=Nn2c(S)nnc2-c2ccccc2)cs1 916307815 RUMUKTOHOPZLKR-UHFFFAOYSA-N 488.520 5.276 30 20 JKED N#Cc1c(CCCNC(=O)Nc2ccc(-c3ccccc3)cc2F)nn(-c2ccc(F)cc2)c1N 916679671 YADYEUOXESHYJR-UHFFFAOYSA-N 472.499 5.026 30 20 JKED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)CC1 916697257 OOYYDQBYCYYUBC-OAHLLOKOSA-N 492.432 5.064 30 20 JKED N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1Cl 916910917 KPCSBLKUKXBIQZ-AWEZNQCLSA-N 462.720 5.582 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916928365 JVWLVVXHTJLNGJ-DENIHFKCSA-N 479.319 5.409 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cc1OC 916934897 JNBUAOXCIMHSFA-IQBZNYMQSA-N 466.946 5.446 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 916955515 REYOCMBRELIXCL-VFNWGFHPSA-N 479.378 5.418 30 20 JKED N#C[C@H](C(=O)c1nc(NCc2ccco2)ncc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 917042492 CNEPHNBWOVGUBQ-GFCCVEGCSA-N 477.855 5.454 30 20 JKED C[C@@H](Sc1ccc(Br)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 917042894 ITLZWDHRCVOVAC-BXUZGUMPSA-N 450.308 5.551 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl 917427426 WLPMHPSMJWYNOT-AWEZNQCLSA-N 490.343 5.716 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N([C@H](C)Cc3ccco3)C2=O)c1 917703552 OPQCHILUGNJJLO-DVECYGJZSA-N 486.597 5.360 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)c12 919194733 WDVARPJAYBUFNY-CQSZACIVSA-N 479.968 5.081 30 20 JKED C=CCN(C(=O)COC(=O)c1cnn(C(C)(C)C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 919503971 GXBOJGLNKWODQD-UHFFFAOYSA-N 493.416 5.444 30 20 JKED Cc1c(C(=O)O)oc2c1C(=O)/C(=C\c1cccc(NC(=O)c3ccc(Cl)cc3Cl)c1)CC2 920066184 UXMNBCIHANGTNK-ZROIWOOFSA-N 470.308 6.058 30 20 JKED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1 920109943 WVYUUQWCAVYXAG-KXBFYZLASA-N 453.951 5.273 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)n2)cc1 920141814 RXQZMASXCIOJKE-SFHVURJKSA-N 493.375 6.453 30 20 JKED Cc1cc(C(=O)O)ccc1NC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(C2CC2)C1=O 920169746 HDKQZJTWNOXGMO-GOSISDBHSA-N 492.384 5.123 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2c(C)noc2C)C1=O 920353728 QVODKRHVOUTXPK-QHCPKHFHSA-N 492.601 5.077 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1sc(-c2ccc(Cl)s2)nc1C 921105562 PWKMWSGSMNOPRJ-AWEZNQCLSA-N 490.006 5.334 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1 928671462 CYYOCPHCQPGYJM-LJQANCHMSA-N 486.528 5.209 30 20 JKED Cc1nc(CC(=O)Nc2ccc(C3(NC(=O)CCCC#C[Si](C)(C)C)CCC3)cc2)cs1 1786860828 FUPMKZNWMWCPIB-UHFFFAOYSA-N 467.711 5.179 30 20 JKED COc1ccc2oc(C(=O)Nc3ccc(C4(NC(=O)CCc5cccc(C#N)c5)CCC4)cc3)cc2c1 1789238307 RFCKEWPPXKLRLX-UHFFFAOYSA-N 493.563 5.694 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)ccc(OC)c3OC)CCC2)cc1 1789458207 PMMVRVPGJFLOFR-FQEVSTJZSA-N 466.553 5.359 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1789495520 IPCXZVXYNLARJQ-NRFANRHFSA-N 465.981 5.142 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)CCc3cnc4ccccc4c3)CCC2)cc1 1789573987 MBIKQGRQVDRMHG-NDZAJKAJSA-N 480.568 5.014 30 20 JKED C/C(=C\c1ccc(C)o1)C(=O)Nc1ccc(C2(NC(=O)COc3ccccc3C#N)CCC2)cc1 1789586220 UKDOKJPDNANFIS-KNTRCKAVSA-N 469.541 5.076 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cnccc3OCc3ccc(OC)cc3)cc2)CCC1 1790043213 WXOKGXSXUYHMHF-NRFANRHFSA-N 499.611 5.629 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCC(F)(F)C4)CCC3)cc2)c1Cl 1790083085 KJEHYUHLFHASMK-OAHLLOKOSA-N 457.908 5.395 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(-c4ccc(O)nn4)cc3)cc2)CCC1 1790812179 ZBCXYOSGHTWCTD-DEOSSOPVSA-N 482.584 5.365 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3occc3NC(=O)OC(C)(C)C)CCC2)cc1 1791730486 KVGRSRMDUHBYPK-UHFFFAOYSA-N 479.577 5.568 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cccnc5[nH]4)CCC3)cc2)c1 1792123527 GQFYJHZLYGMXSI-SFHVURJKSA-N 463.541 5.251 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1)NC(=O)OC(C)(C)C 1792205410 ZDKYMYQSMYAPEE-NFBKMPQASA-N 481.637 5.336 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(-c3nccs3)noc2c1 1797970489 JDKKWBOPEMKQFI-REPLKXPHSA-N 478.618 5.196 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(Br)cccc2c1 1798135997 INFIRFCLTCHANP-LRSLUSHPSA-N 481.434 5.623 30 20 JKED N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2sc4ccccc4c2Cl)C3)c1Cl 1799302555 QALHLWHDYYPYKN-MUJYYYPQSA-N 484.408 5.645 30 20 JKED COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2-c2ccc(C)cc2)c(C#N)c1 1800604674 GWRZUWAIEAWRAK-OOSCYNTBSA-N 493.607 5.037 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3cc(Br)cc(C(C)C)c3)[C@H]2c2cccnc2)C1 1802412845 OAPMHUCLTGQURD-DVECYGJZSA-N 496.449 5.253 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)[C@@H]1c1cccnc1 1802499228 REYPSFSYUFKPPM-FXAWDEMLSA-N 475.420 5.095 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1803088029 XJBNYNQCVBWBCZ-NFBKMPQASA-N 471.523 5.188 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)c1cccc(C(F)(F)F)c1F 1804137844 MBHZEULLMMOOJK-JHJNDJDLSA-N 494.451 5.465 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)oc2C(F)(F)F)[C@@H]1c1cccnc1 1805698826 SECXBSHSQSCPIE-ICSRJNTNSA-N 477.527 5.314 30 20 JKED CC(C)(C)c1cc(C(=O)N2CC[C@H](CNC(=O)CCC#N)[C@@H]2c2cccnc2)cc(C(C)(C)C)c1 1806867395 CLIGUEYHAGUCCD-RLWLMLJZSA-N 474.649 5.300 30 20 JKED CC1=CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CC1 1809487822 GAZXQWJTBQSGBE-XZDHIHRUSA-N 496.533 5.038 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3ccc(C)cc3)c2)[C@H]1c1cccnc1 1810168391 INGZNHXNRPTCAX-INOCPDNRSA-N 482.628 5.473 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]c3cc(-c4ccccc4)ccc23)[C@H]1c1cccnc1 1812587648 LEHOGPQCZOHKDW-IDOVBLGQSA-N 493.611 5.157 30 20 JKED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1813035525 KLMAODJMBXTZQB-CRAZFUPSSA-N 486.081 5.033 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)[C@@H]1c1cccnc1 1813057125 AIHWKBLZUDIYRM-VGOFRKELSA-N 476.404 5.071 30 20 JKED CCOc1ccsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCC#C[Si](C)(C)C)[nH]n1 1814342544 KXALTIRFQPBVPP-LJQANCHMSA-N 486.714 5.227 30 20 JKED Cc1cc(Cl)ccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(CC#N)cc2)[nH]n1 1814593386 MKSHJKWIJXPXLQ-QFIPXVFZSA-N 461.953 5.057 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CCCC3)n[nH]2)cc1 1814682145 KHIWMWCEZVRAEO-RUZDIDTESA-N 481.600 5.028 30 20 JKED N#Cc1cccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)c1 1814740734 PQRMNRAMMBWWJY-JOCHJYFZSA-N 495.505 5.239 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3occ(Cl)c3c2)[nH]n1 1815206532 JEWZPAFPFZVMDD-FQEVSTJZSA-N 470.957 5.098 30 20 JKED Cc1ccc2[nH]cc(CC(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)[nH]n3)c2c1 1815792016 BJGZCCVONSUVRA-BCHFMIIMSA-N 494.599 5.375 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3csc(-c4ccccc4)n3)n[nH]2)cc1 1818362182 OQFVDCQZRCJWJL-QHCPKHFHSA-N 496.596 5.219 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2occc2Br)[nH]n1 1819554206 LBCOHWDYQYGGDP-INIZCTEOSA-N 463.376 5.064 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n[nH]1 1819742554 YVUZTEQIPGQPCI-KRWDZBQOSA-N 464.397 5.410 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3occ(-c4cccnc4)c3[nH]2)n[nH]1 1820088024 IJULJEYSASDZPA-CVDCTZTESA-N 498.587 5.620 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC=C(C)C)n[nH]1)c1ccc(O)cc1 1820807493 KUDLOBYEMHTMQO-QPPBQGQZSA-N 462.594 5.051 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)[nH]n2)cc1 1821180828 FCZLNJOWMBTHMY-HSZRJFAPSA-N 487.991 5.167 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc3ccoc23)n[nH]1 1821535957 OTRMAEAAWGKUMC-QFIPXVFZSA-N 476.653 5.513 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3cc4ccccc4n3C)[nH]n2)c1 1823212405 SZPGGQNQLMWJQK-BCHFMIIMSA-N 494.599 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(OC)cc2Cl)n[nH]1 1823248211 UAMRKCPNERTMRZ-HXUWFJFHSA-N 458.990 5.370 30 20 JKED COc1cccc(Cl)c1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)[nH]n1 1823254357 MUEJSZBGNFEVFE-LJQANCHMSA-N 498.370 5.216 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C3CCCCC3)[nH]n2)cc1C#N 1823292573 PIYFPSUTTZXRCM-PSVMIJIFSA-N 489.620 5.511 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3n[nH]c4ccc(-c5ccccc5)cc34)CC2)C1 1823702321 KSWYQVJZUMIWNJ-HHHXNRCGSA-N 482.628 5.429 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)CC1 1823885057 DAIZDHGGSMSBGR-VWLOTQADSA-N 482.628 5.389 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 1824232706 ACTBFDJQVCCQHY-FXSPECFOSA-N 470.604 5.456 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccc(Br)cc3F)CC2)C1 1824841546 FDDGYSPRNQEBQY-DRGXBFSJSA-N 489.429 5.187 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2ncccc2C)CC1)c1ccccc1 1825116604 XGGBYRPDRMSTHK-XRKRLSELSA-N 485.672 5.140 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533437 GCYYHOUZLIKCLP-HSZRJFAPSA-N 469.423 5.412 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2cc3ccccc3o2)CC1 1828350233 GKASCEIMOICRRJ-SDQWYYNMSA-N 464.606 5.049 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1828831086 UNBXVPRUBAZNIW-AHWVRZQESA-N 480.052 5.890 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/C(=O)c2cccs2)CC1 1828905117 IAKLMSRGWIMGQW-YAOQVBECSA-N 498.765 5.158 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C(C)(C)CC(=C)C)CC1 1829068149 HSTZGQMLVPKBRF-XZOQPEGZSA-N 489.701 5.068 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)CC1)c1ccccc1 1829198227 MMBAFDGYTSASAE-NOZRDPDXSA-N 496.026 5.305 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCCCC3(F)F)CC2)c1Cl 1829685948 SKCZSIVWXBWNPI-SFTDATJTSA-N 477.983 5.270 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]c4c(Cl)cccc34)CC2)cc1 1830016514 HDPXLFDCFHTPQZ-XMMPIXPASA-N 474.992 5.240 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(F)cc(Cl)cc2Cl)CC1 1830417526 CATILHHGYPWYQN-FOIQADDNSA-N 486.415 5.167 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(F)F)cc3)CC2)cc1 1830581255 BYHKMZDGIJSBPH-VWLOTQADSA-N 495.570 5.026 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCC3CCC3)CC2)ccc1Br 1830685239 DIQKRCFWOSBGHB-QHCPKHFHSA-N 486.454 5.134 30 20 JKED C#CCCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 1831317216 MSKDVKYIUUJAPW-SANMLTNESA-N 499.095 5.202 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1831858549 WOUPLZXYRGKJRL-RUZDIDTESA-N 456.590 5.039 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](F)c2ccccc2)CC1)c1ccc(O)cc1 1831925118 VHEUREDIIGTAHN-WBJKNQCFSA-N 490.619 5.220 30 20 JKED COc1ccc([C@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832629434 QFBRWFJEAAALSU-VPYPWEPUSA-N 487.644 5.359 30 20 JKED COc1cccc(Cl)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832635921 YQLSIKMDXPGZDK-YADARESESA-N 494.035 5.523 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)c3cc4c(C)snc4s3)CC2)CC1 1836696471 WAEHXHLPDBKNMC-UHFFFAOYSA-N 487.691 5.047 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)Sc3cccs3)CC2)CC1 1838360904 FWPTWXQCZKLERV-IBGZPJMESA-N 478.724 5.220 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC(OC3CCN(C(=O)c4c(F)cccc4Cl)CC3)CC2)c1 1838572321 IKNIWECYLYKIRT-SFHVURJKSA-N 497.998 5.032 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cccnc2SCc2ccccc2)C3)c1 1846828095 AATFKPPZZAHXCS-OAQYLSRUSA-N 496.636 5.132 30 20 JKED C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2)C(=O)Nc1ccccc1C#N 10552784 HXDRHWPSXQHQEH-XMGGNUPJSA-N 479.561 5.839 30 20 JKED CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)Nc2ccc(F)c(Cl)c2)cc1 10760902 VBGFDUDBEXPQEX-UHFFFAOYSA-O 470.033 6.893 30 20 JKED O=C(C[C@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1cccc(Cl)c1 15231800 BTSSYBMIDOQSFM-OAQYLSRUSA-N 465.962 5.167 30 20 JKED C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2scc(-c3ccccc3)c2c1=O 20789898 LGUHZIDVYNEONF-UHFFFAOYSA-N 496.545 5.089 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 21144086 UDCBDLFKKSUGCP-YJYMSZOUSA-N 491.400 5.403 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(OC)cc1 22213467 UISNRUZHOWJPQT-LJQANCHMSA-N 470.598 5.926 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)s1 22733471 IVPRDNXMHSRGOL-UHFFFAOYSA-O 467.636 5.464 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(Br)cc2)cc1OC 22783638 GVPRDQMNRKYUGQ-CYBMUJFWSA-N 455.190 5.636 30 20 JKED CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nc2sc3c(c2c1=O)CCCC3 23589441 VAQGJYCHPRWIRE-QGZVFWFLSA-N 480.659 5.093 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)C2CCC(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)cc1 29151016 KTZIKEWEQTVKBS-UHFFFAOYSA-N 456.590 5.673 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n(Cc2ccc(F)cc2)c1C 45540924 WMUXCQWWKKEQFE-UHFFFAOYSA-N 498.587 5.399 30 20 JKED CCCOc1c(Br)cc(C(=O)N(CCC#N)c2ccc(OCC)cc2)cc1OC 104861147 NIPDXRRVHQTGMP-UHFFFAOYSA-N 461.356 5.206 30 20 JKED N#C[C@@H](C(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F)c1nc(-c2ccccc2)cs1 109624179 IGSXCIBFKRFTRV-SFHVURJKSA-N 498.555 6.204 30 20 JKED C#CCN1CCC(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CC1 195640328 GBJYRNBDUDZUSA-OAQYLSRUSA-N 454.401 5.068 30 20 JKED CC(=O)N(c1nc(/C=C2/COc3ccc(Br)cc3C2=O)cs1)c1ccc(F)cc1F 212196523 LRVGNCVBPKSXPF-SDQBBNPISA-N 491.313 5.527 30 20 JKED C=CCn1c(SCCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccco1 247979966 HAVLZZGNPDSNKL-NRFANRHFSA-N 450.589 5.174 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 303035548 UZBMPPFTBCDXNR-UHFFFAOYSA-N 462.981 5.716 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(CSc3ccccn3)c2)cc1 303088268 CFDDWRLWTSPYJT-UHFFFAOYSA-N 467.619 6.790 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)CC2)c1 303298985 YKTNNSMCDBFWMW-UHFFFAOYSA-N 467.544 5.848 30 20 JKED COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2S[C@@H](C)CC#N)cc1 303318509 HHJFCNVIBICGID-RXFWQSSRSA-N 484.625 5.879 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1c(C)c(Br)c2ccccc21 478256381 VSOOGSBMXXIEEW-UHFFFAOYSA-N 475.346 5.718 30 20 JKED Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481656025 JJXVPVPQWPHAQC-UHFFFAOYSA-N 457.509 5.146 30 20 JKED Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481659582 QWVFTZCSCAMQJU-UHFFFAOYSA-N 469.520 5.401 30 20 JKED O=S(=O)(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc(F)cc1C(F)(F)F 485120996 KJLBRDFYLUKNPV-UHFFFAOYSA-N 463.346 5.062 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSCc1cc(-c2cccs2)on1 488808708 VHWQYMYHOOMXMH-UHFFFAOYSA-N 462.556 5.642 30 20 JKED C=CCN(C(=O)C1CCC(CCCC)CC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491082174 DSTNBCRKYCFRPZ-UHFFFAOYSA-N 460.665 5.729 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2F)c1 498316855 TWZWQCJLUIPNHD-GOSISDBHSA-N 486.996 5.694 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 499510480 UMPAHUJAJUBTEG-UHFFFAOYSA-N 455.948 5.324 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 502336283 YAFUYKIUUADPIB-MRXNPFEDSA-N 492.364 5.186 30 20 JKED COc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1Cc1ccccc1 502647738 AVURNMSKUZDWED-UHFFFAOYSA-N 468.557 5.040 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 502978205 AILKGWSHYKNJDZ-GOSISDBHSA-N 463.759 5.115 30 20 JKED COCCn1c(C)c(C)c2cc(C(=O)[C@H](C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc21 503540433 QUKGEBACOPZPCP-QFIPXVFZSA-N 454.555 5.390 30 20 JKED C=CCN(C(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 506818547 DQFWVYQXFFETMG-NRFANRHFSA-N 498.992 5.345 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)cc1 508248305 DJPIYABDSZBLDD-UHFFFAOYSA-N 471.557 6.051 30 20 JKED Cn1ccnc1[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(Cl)cc1 508916039 XBEFUBGGLNRESO-DEOSSOPVSA-N 456.933 5.044 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@@H]3Cc3c(F)cccc3Cl)s2)cc1 510213909 UOUUZEKHKDPJKG-MRXNPFEDSA-N 488.013 5.734 30 20 JKED Cc1sc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)c(C#N)c1C 512136160 CASVWUDBKJMSEU-UHFFFAOYSA-N 470.337 5.596 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc(C(F)(F)F)cn1 513213963 KHSOTUHRGCDXFE-INIZCTEOSA-N 465.225 5.525 30 20 JKED CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc21 513545170 OTWBIBBJIGXHRJ-UHFFFAOYSA-N 450.542 5.301 30 20 JKED N#CCc1ccc(OCc2ccccc2NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 515698951 DGMYPNJZJIJGQY-UHFFFAOYSA-N 491.794 5.548 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(Cc1ccco1)c1ccccc1C#N 517401019 CURJUOBEKTYWLB-SFHVURJKSA-N 468.600 5.049 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 517521986 KDZPDEPOCHHENP-UHFFFAOYSA-N 484.604 5.508 30 20 JKED CC(C)(C)OC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 517893833 WXCZRJKIFNOVNY-UHFFFAOYSA-N 455.942 5.590 30 20 JKED Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ccccc1S[C@H](C)CC#N 518240007 PQZCUFQNOOJDEQ-CQSZACIVSA-N 473.429 6.371 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 518243208 RYJZXFYFAQOLLD-INIZCTEOSA-N 476.652 6.483 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1F 518725583 IJLSACUCKVTMSU-UHFFFAOYSA-N 475.520 5.601 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 518751139 GUTXZKYHMNZAKC-HNNXBMFYSA-N 461.509 5.229 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)cc2)cc1 519987243 KRDJUIOLLAYDMV-UHFFFAOYSA-N 484.600 5.243 30 20 JKED COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)N1CCCCC1 520194974 NXZKUSZBOMDEPJ-DENIHFKCSA-N 452.624 5.438 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1C 522585875 ZGRSZAMHMSKNFE-QFIPXVFZSA-N 498.562 5.290 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)NC3CCN(Cc4cccc(C(F)(F)F)c4)CC3)o2)cc1 524128794 MILROFAJBMUYKF-UHFFFAOYSA-N 483.490 5.143 30 20 JKED C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(NC(=O)Cc2ccccc2F)c1 524436641 DFHHPCXRBZJKRZ-HNNXBMFYSA-N 482.462 5.363 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1Cl 524707179 BCCDEESPHSGNPE-HSZRJFAPSA-N 459.933 5.140 30 20 JKED Cc1ccccc1-c1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)n1Cc1ccco1 589944728 IGHTUNTWTCNIHD-UHFFFAOYSA-N 489.626 5.438 30 20 JKED O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 593039781 SDSSONSEGCFQCP-QWRGUYRKSA-N 478.380 5.837 30 20 JKED Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)CC3 603828340 RUINESLVHSFRPR-UHFFFAOYSA-N 450.542 5.712 30 20 JKED N#Cc1cccc(COc2cccc(NCC(=O)Nc3ccc(Br)cc3F)c2)c1 604006927 ANBNKOWPTAPMDI-UHFFFAOYSA-N 454.299 5.089 30 20 JKED COc1ccccc1-c1nc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cs1 604504283 QQZHCYZFVADUIJ-UHFFFAOYSA-N 455.539 5.716 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)cn2)cc1 608840551 LHHASWYCGITYFE-LJQANCHMSA-N 484.491 5.346 30 20 JKED Cn1c([C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2)nc2ccccc21 609059063 VXGQCIVBCXYCDF-SANMLTNESA-N 462.509 5.136 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12 609062047 UIPBZJGGDSKUHE-UHFFFAOYSA-N 466.541 5.064 30 20 JKED CC(C)CCN(CCC#N)C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 609142885 YNMUKCXCMNWBHV-UHFFFAOYSA-N 455.484 5.355 30 20 JKED C=CCn1c(SCC(=O)NCc2sccc2C)nc2scc(-c3ccccc3)c2c1=O 613900245 JNRDKXQGRTUDDN-UHFFFAOYSA-N 467.641 5.089 30 20 JKED C=CCn1c(SCC(=O)NCc2ccccc2OC2CCCC2)nnc1-c1cccc(C)c1 613930074 BWJKULMVPGEOOM-UHFFFAOYSA-N 462.619 5.169 30 20 JKED CCOCCCn1c(NN=C(C)c2cc(F)c(Cl)cc2Cl)nc2ccccc2c1=O 725843216 BUEVFKBXROXFRA-UHFFFAOYSA-N 451.329 5.105 30 20 JKED C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726300169 MZQNYNGWWLGMKI-KSFYIVLOSA-N 466.368 5.335 30 20 JKED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 726321056 CUTMPEVZIFIZNI-QGZVFWFLSA-N 473.476 5.118 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2Cc2ccco2)c1 726414366 ZZXWCXVXGAULTD-NRFANRHFSA-N 497.498 5.440 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)C[C@H](c2ccccc2)C(F)(F)F)n(Cc2ccccc2)c1C 728652904 HFTKJKZPEPXKMP-JOCHJYFZSA-N 483.490 5.243 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)c1 728778620 TWEILWMPLLPSHR-JOCHJYFZSA-N 483.037 5.919 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3)C(=O)N2CCCCC#N)c1 728779461 HYARFVXQJGRBGH-JOCHJYFZSA-N 492.601 5.162 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCCC#N)c1 728779755 KLJVEESOCXIHQT-QHCPKHFHSA-N 462.619 5.520 30 20 JKED CC(C)c1cccc(N=C2S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2CCCCC#N)c1 728780260 PAKYSDKOSFCHDE-JOCHJYFZSA-N 493.589 5.372 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)cc1Cl 728780430 SYKGNCAIAYTCSQ-IBGZPJMESA-N 493.391 5.787 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1Cc1scnc1C 729146303 QWVZTKFUCVGVSU-NRFANRHFSA-N 494.642 5.183 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 729881273 SWLWRETXWDIWGL-BXKMTCNYSA-N 498.583 5.729 30 20 JKED O=C1/C(=C\c2ccc3ncccc3c2)CN(c2ccccn2)C/C1=C/c1ccc2ncccc2c1 730433074 BEYZDRSWYBZZSG-MFYXSQMNSA-N 454.533 5.734 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc2c(Br)cccc2[nH]1 731077964 QEBQDTFUYRUXKU-ZDUSSCGKSA-N 472.364 5.120 30 20 JKED Cc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c3c2CCCC3)cc1 731136696 VNDBGNAAPHESSL-HXUWFJFHSA-N 467.356 5.328 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)cc1Cl 731305104 GYHAJRRZSBURFD-DJJJIMSYSA-N 496.416 5.084 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCCC2)c1 743525674 RQXCCHXOUZGBCX-FQEVSTJZSA-N 493.526 6.056 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)c3cn[nH]c23)c1 746004361 YBJOREINUCTWRB-UHFFFAOYSA-N 480.977 5.158 30 20 JKED COC(=O)N1C/C(=C\c2ccc(SC)c(OC)c2)C(=O)/C(=C/c2ccc(SC)c(OC)c2)C1 746342590 WTWREDOPNRBXLJ-XOBNHNQQSA-N 485.627 5.266 30 20 JKED O=C(/C=C\c1ccc(-c2ccccc2Br)s1)c1ccc(N2CCOC2=O)cc1 748584400 PNUJENACTXDDPP-LUAWRHEFSA-N 454.345 6.030 30 20 JKED Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)n1-c1cccc(Cl)c1 749226664 IUACSXGTDCSLBD-UHFFFAOYSA-N 460.965 5.110 30 20 JKED Cn1ccnc1[C@@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 766354531 QFCANVCCPWMZGU-NRUPQRNLSA-N 471.376 5.516 30 20 JKED C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)Nc1sccc1C#N 818028043 RHSISDTVLYEOMY-LBPRGKRZSA-N 452.586 5.257 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2cccs2)cc1 838035623 BXGOZSQGWAHAOO-JOCHJYFZSA-N 493.610 5.120 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(C[C@@H]2CCCO2)C1=O)Nc1ccc2ccccc2c1 838595214 CKDJRWAJINQTHX-NZQKXSOJSA-N 495.551 5.257 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)CCc2cccs2)ccc1Cl 914506521 ALRSECJJVWCIGZ-UHFFFAOYSA-N 489.062 5.488 30 20 JKED C[C@H](OC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)Nc1ccccc1C#N 915031526 IBWXUPLRCPRMBK-AWEZNQCLSA-N 482.323 5.301 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 915086125 HMBVNPYAJAADKA-IZLXSDGUSA-N 459.549 5.322 30 20 JKED Cc1cc(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cc(C)c1OCc1ccccn1 915945424 UKPDCRGLAHCZEP-UHFFFAOYSA-N 479.609 5.784 30 20 JKED CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)CC2 915987825 LGSBMKFGPLFQIC-ZROIWOOFSA-N 486.496 5.397 30 20 JKED CCCOc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccn3)C2=O)cc1 916211781 QIUTVSLUHBWZJS-HSZRJFAPSA-N 474.586 5.031 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2cccc(OC)c2)cc1 916215254 UVSYDDQIBWNDGA-QHCPKHFHSA-N 493.560 5.003 30 20 JKED Cc1ccc(-c2nnc(S)n2N=Cc2csc(-c3cccc(Br)c3)n2)cc1 916306607 PDUDIIJVXCSFMA-UHFFFAOYSA-N 456.394 5.310 30 20 JKED Cc1sc2ncn(N=Cc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)c(=O)c2c1C 916310749 HUTBFAONBZOEHF-UHFFFAOYSA-N 454.895 5.311 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916913552 WVAZGZODVGZHSI-SFHVURJKSA-N 486.742 5.860 30 20 JKED N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 916928367 JVWLVVXHTJLNGJ-SIKLNZKXSA-N 479.319 5.409 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1 916953810 WAPKWWJWLFDIEN-IBGZPJMESA-N 464.934 5.019 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Br)cc3Cl)n2)cc1 916971685 DWFKKJUYGVHOQA-HNNXBMFYSA-N 461.768 5.790 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 916974585 MYXDNOXWWNCCRJ-LJQANCHMSA-N 462.962 6.021 30 20 JKED COc1ccccc1-n1c(C)nnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 916977181 MDXSZAXBTAAMPV-QGZVFWFLSA-N 496.017 5.330 30 20 JKED N#C[C@H](C(=O)CSCC(=O)N1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995343 FCHQJYCXTZCVSM-OAHLLOKOSA-N 468.431 5.039 30 20 JKED C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 917046610 LJSPZDVQTKEROV-BXKDBHETSA-N 470.175 6.009 30 20 JKED Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)C2)c1 917431111 ZAGQFUFEEWTWCL-YJBOKZPZSA-N 452.967 5.379 30 20 JKED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccccc1SCc1ccc(C#N)cc1 917506575 BGLHNVZLHZJMKY-NRFANRHFSA-N 485.565 5.178 30 20 JKED COc1ccc(/C=C2/CC3(C/C(=C/c4ccc(OC)cc4)C2=O)C(=O)Nc2ccccc23)cc1 917518228 WNTSVQTXSCCRBM-BMJUYKDLSA-N 451.522 5.424 30 20 JKED CC(C)(C)N/C(S)=C(/C(O)=C1C=CC(=NC(=O)C(C)(C)C)C=C1)[n+]1ccc2c(c1)CCCC2 917614046 PXTWCJRTKHSPSH-UHFFFAOYSA-O 466.671 5.249 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2cccc(Cl)c2C)n1 917665292 BIECCRIPABPVFO-OAQYLSRUSA-N 497.983 5.046 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2cccc(C)n2)c1 917669750 UNENWMIUEFJBGN-JOCHJYFZSA-N 480.540 5.137 30 20 JKED CC(C)Oc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1 917673948 JTZJRSFLBSPTFT-QFIPXVFZSA-N 492.576 5.168 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(Cl)cc1Cl 917679502 MXBUHDJQGYJHGT-FQEVSTJZSA-N 494.444 5.188 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H]1CCN2CCC[C@H]2C1 917697680 ILVOUCPMJFPVEK-YZUZCNPQSA-N 496.721 5.160 30 20 JKED C=CCN(C(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)c1nc(-c2ccccc2)cs1 918552872 YXXLLMYJORWWBN-UHFFFAOYSA-N 451.555 5.685 30 20 JKED O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(O)c(CN2CCOCC2)c1 918712056 GOLUZDHDFPHAOH-SOFGYWHQSA-N 474.504 5.263 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 919665374 URHWCHFBDOOIIT-OAQYLSRUSA-N 465.962 5.324 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 919665825 FRLZORJNBZQNPK-FQEVSTJZSA-N 499.350 5.551 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 919959142 PHQABNGGCQVGQD-AREMUKBSSA-N 485.540 5.534 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nncn3-c3ccc(C)c(Cl)c3)n2)cc1 920141849 IEOQTBFNOJIUOK-SFHVURJKSA-N 496.017 5.330 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc3ccccc3c2)no1 920360588 YWHGAEHJAPABIR-QHCPKHFHSA-N 488.544 5.436 30 20 JKED CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C(C)C)c1 920892317 KTZBUKSOMQIZES-SANMLTNESA-N 486.572 5.103 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]c3c(Cl)cccc3c2C)C1 1777939707 MWFOPHBQISVNNJ-JIPXPUAJSA-N 486.056 5.250 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C4CCCC4)CCC3)cc2)C1 1785810351 OIOZJAHIDQHCFZ-XMMPIXPASA-N 495.664 5.560 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)cc2)CCC1 1786175466 WIPKOPYYKSZYMW-FCHUYYIVSA-N 468.544 5.185 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)CCC2)cc1 1786373434 DPLHCVDDMKLANE-INIZCTEOSA-N 476.495 5.053 30 20 JKED N#Cc1ccc(F)c(C(=O)NC2(c3ccc(NC(=O)c4scnc4C4CC4)cc3)CCC2)c1 1787186239 CYHLYMCNTMOABU-UHFFFAOYSA-N 460.534 5.093 30 20 JKED Cc1cncc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)c1 1787433651 WMZZSWQKMWGRON-UHFFFAOYSA-N 468.557 5.110 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4cccc([C@@H](C)C#N)c4)CCC3)cc2)cc1 1787768769 KTWIYQPBSFJVTE-FQEVSTJZSA-N 467.569 5.313 30 20 JKED COc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4)CCC3)cc2)c(F)c1 1789189793 STBPJSXTALHFKK-UHFFFAOYSA-N 471.532 5.086 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H]4CCCCC4(F)F)CCC3)cc2)c(C#N)c1 1790472507 NSBMTKAKSMYULN-QHCPKHFHSA-N 481.543 5.069 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5cc[nH]c5cc4F)CCC3)cc2)cc1 1790706644 NDRCNZSSBLGFDE-UHFFFAOYSA-N 466.516 5.435 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C=O)s4)CCC3)cc2)c(Cl)c1 1790767315 XYRQYTIUDVSRBO-UHFFFAOYSA-N 463.946 5.147 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4cc5ncccc5[nH]4)cc3)CCC2)c1Cl 1790841492 RQMCDXAMSQOHMW-UHFFFAOYSA-N 469.932 5.149 30 20 JKED COC(=O)CCCCCC(=O)Nc1ccc(C2(NC(=O)c3cccc([C@H](C)C#N)c3)CCC2)cc1 1791663251 QXFAJMXTAWQHHT-HXUWFJFHSA-N 475.589 5.185 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)C3CC4(CCC4)C3)cc2)CCC1)NC(=O)OC(C)(C)C 1792040086 XNZSSYGDCLUJHP-HSZRJFAPSA-N 495.664 5.560 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4cc(OC)ccc4Cl)cc3)CCC2)c1 1792083413 AORPDVJBWKMFOK-UHFFFAOYSA-N 489.959 5.290 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CC(c5ccccc5)=NO4)CCC3)cc2)c1 1792122531 BTQDTVAUPWOKGU-NFQMXDRXSA-N 492.579 5.255 30 20 JKED Cc1nc(C)c(C(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)o1 1792168454 CGIFFTBBOGYHQZ-UHFFFAOYSA-N 472.545 5.012 30 20 JKED Cc1cccc(CC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)n1 1792169481 MNTGTFAXHTZQLH-UHFFFAOYSA-N 482.584 5.039 30 20 JKED O=C(/C=N/N1CCCCC1)NC1(c2ccc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1792173521 LTHMTABRTZRITN-OKCVXOCRSA-N 490.501 5.064 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 1798420608 VVHOYPLEDATLRI-VHJOFQCFSA-N 471.117 5.133 30 20 JKED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2oc2ccccc23)[C@H]1c1cccnc1 1804176281 MKMFZUIAHGTMBG-FNZWTVRRSA-N 485.609 5.220 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)C2)CC1 1805607040 UBNKXBZSHXPZTJ-LEWJYISDSA-N 458.593 5.292 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC2(CCCN(C(=O)COc3ccc(Cl)c(F)c3)C2)CC1 1805934706 GHAXDELBGGVVSX-UHFFFAOYSA-N 465.009 5.082 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@@H]1c1cccnc1 1809439827 DYUOVRJKQMYITG-NLFFAJNJSA-N 494.060 6.038 30 20 JKED C=CCC(CC=C)C(=O)N1CCC2(CCCN(C(=O)[C@@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)C2)CC1 1809628766 PRWMVXAXDBDKGT-URORMMCBSA-N 475.677 5.364 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(s2)CCCC3)[C@H]1c1cccnc1 1809770520 IOUGCZOMYOSQKR-TZBSWOFLSA-N 463.647 5.110 30 20 JKED Cc1cc(C)cc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810272888 SZPMAGPLLVBMQL-SQHAQQRYSA-N 475.709 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 1810489696 NFVLVXAWKPXRRH-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3nscc23)[C@H]1c1cccnc1 1810503139 OJIDIKBHYKRIRF-CVDCTZTESA-N 462.619 5.003 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1810757271 QDZOZTISDJLKSO-GMAHTHKFSA-N 487.522 5.068 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1)C(F)(F)F 1811723339 WRGFNHTZQXTRMP-RDPSFJRHSA-N 495.501 5.312 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C4CC4)cc3)[C@H]2c2cccnc2)c1 1811858495 NUUJJLHMSOQZAK-JTOILGAVSA-N 478.596 5.219 30 20 JKED CCCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@H]2c2cccnc2)cc1 1812036299 XTHROLKIHOCMTF-OZXSUGGESA-N 487.003 5.193 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2cc3sc(C)cc3[nH]2)[C@H]1c1cccnc1 1812129600 UPSAGVYSWVCUDV-YOSAUDMPSA-N 462.619 5.021 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc3nscc23)[C@H]1c1cccnc1 1812211754 INGWHQQCKADYCI-AUSIDOKSSA-N 462.619 5.003 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[C@@H]1c1cccnc1 1812428031 VZDLKWGSCBVBTC-PZUNEJSGSA-N 497.083 5.036 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CC(c5ccccc5)(C3)C4)[nH]n2)cc1 1814381768 RPSYRRIEVMSZBS-OAHPJDTOSA-N 493.611 5.028 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4)CCCC3)n[nH]2)c1 1814684108 GTYKNFRGLWXQBU-RUZDIDTESA-N 497.599 5.108 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2csc(-c3cccnc3)n2)[nH]n1 1814828974 IDPOERSUMIUMSP-NRFANRHFSA-N 476.606 5.003 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nn(CC)c3ccccc23)n[nH]1 1817752049 VWDCBKZIORTVPA-NRFANRHFSA-N 462.598 5.078 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/C(=O)c2cccs2)n[nH]1 1818114187 MJSNROYUDYZDIU-VZIBSNAFSA-N 494.642 5.083 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2sc3ccccc3c2Cl)n[nH]1 1818605569 OAZKULABOYCGQN-PBHICJAKSA-N 472.998 5.175 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occc4c3)n[nH]2)c1Cl 1818705999 BZPDKJIWNWNKMM-FQEVSTJZSA-N 473.920 5.301 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3c(Cl)cncc3s1)CC2 1819597481 AKUSQGAWSSKQKM-UONOGXRCSA-N 487.050 5.400 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3[nH]c4ccoc4c3-c3ccccc3)n[nH]2)C1 1820089088 HDTJADFTQLOFPQ-NRFANRHFSA-N 469.545 5.423 30 20 JKED CCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)cc(C(F)(F)F)c2)n[nH]1 1821310564 FAAIVCUPECICFT-GOSISDBHSA-N 461.488 5.042 30 20 JKED Cc1cc2[nH]c(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4ccc(C#N)cc4Cl)[nH]n3)cc2s1 1821441491 KVPZIHBGFUNYQP-FQEVSTJZSA-N 492.992 5.406 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4ccoc4c3)n[nH]2)cc1C#N 1821462138 UDDCOTRUKGNITC-QHCPKHFHSA-N 497.555 5.434 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](c2ccccc2Cl)N(C)C)n[nH]1 1821762793 ANNJFDYDXSRPHJ-IHLLOCCUSA-N 484.044 5.127 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=C/c2ccc(OC)cc2F)n[nH]1 1822253750 CXMPPDPWJNLMPO-PAMYYQQMSA-N 466.557 5.031 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@@H](C)S)n[nH]3)ccc21 1822384687 OWMOAZJKHPKANQ-WAIKUNEKSA-N 475.618 5.162 30 20 JKED C#CCCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(F)(F)F)nc3ccccc23)[nH]n1 1822584573 VYYMLJPMVAHNIK-NRFANRHFSA-N 497.521 5.476 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)[nH]n2)c1 1823215304 PWGRNRPVFCPFPW-SBUREZEXSA-N 466.545 5.138 30 20 JKED Cc1c(F)cccc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 1823291170 MKDYAJGEUPFYSY-QHCPKHFHSA-N 489.551 5.136 30 20 JKED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)[nH]n2)CCC1 1823380013 XOFOEMZWBYJPPA-NRFANRHFSA-N 467.529 5.309 30 20 JKED Cc1c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)oc2ccccc12 1824052890 XZVOOBCIUPAOTO-SANMLTNESA-N 483.612 5.479 30 20 JKED O=C(c1cccc2cc[nH]c12)N1CCC([C@@H]2CCCCN2C(=O)C#Cc2ccc(Cl)cc2)CC1 1824054967 BZOKWLTUMSUAQB-VWLOTQADSA-N 474.004 5.106 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c(F)ccc(F)c2F)CC1 1824797465 WDFCQMVODNHFEU-XXBNENTESA-N 462.556 5.035 30 20 JKED C=CCOCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824985980 ATSWNXNWXPMHRD-VWLOTQADSA-N 491.072 5.102 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825575412 NSKNCCBJEWZBCC-CLOONOSVSA-N 451.586 5.266 30 20 JKED CCc1ccnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)c1 1827359787 GKVAIDJFSHFDPB-XMMPIXPASA-N 498.549 5.082 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Br)c(C)c3F)CC2)C1 1827991159 LOASKOGBFIDYMS-OAQYLSRUSA-N 477.418 5.096 30 20 JKED CC1=CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)CC1 1828351574 KKPWDRYOTJKJIY-JYFHCDHNSA-N 477.649 5.325 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@]2(F)CCCCC2(F)F)CC1 1828414769 IQFYVDXIJXFKES-YKSBVNFPSA-N 456.593 5.516 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1828829187 FLVPHJVSADQACF-JWQCQUIFSA-N 460.622 5.078 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CSc2ccccc2)CC1 1828903710 DHZGHQQTPUNMOJ-VWLOTQADSA-N 484.782 5.450 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)CC1 1829580484 CNTOAEMDIRVSGF-OFNKIYASSA-N 483.703 5.342 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)cc1 1830017109 QYCSEDYVWHCGHH-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)c(F)c2)CC1 1830441170 VHWXTCITUKOXGI-UTKZUKDTSA-N 484.534 5.212 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3cccnc3)cc2)CC1 1830447747 PGUUMKTZEKXYSB-NSOVKSMOSA-N 471.645 5.750 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 1830534679 ZEABLTSOTMJSJX-HSZRJFAPSA-N 487.497 5.263 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)CC1 1831860563 SWJHICBQJALDGR-XRKRLSELSA-N 473.661 5.056 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)c1 1832629464 RLKPXGUAWFBYNI-AFMDSPMNSA-N 496.026 5.582 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)CC1 1832634031 NLLFNLWSGGBLGA-WATLYSKOSA-N 490.673 5.123 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)CC1 1836697355 JCDGOVATIFJLGE-HCGLCNNCSA-N 458.687 5.216 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCC(OC3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)CC2)cc1 1838766641 SPVNGPXCCGDMOY-PKTZIBPZSA-N 487.644 5.038 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)C2 1841628208 MLQBIRQOKSCDKO-NRFANRHFSA-N 492.563 5.269 30 20 JKED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc4occ(Cl)c4c2)C3)cc(C(F)(F)F)c1 1845513773 YAJRNGWCLTVMJQ-UHFFFAOYSA-N 487.865 5.107 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(-c4ccc(F)cc4)cc2F)C3)c1 1846830696 VXNPROMIZQGAOF-LJQANCHMSA-N 485.534 5.390 30 20 JKED CCOC(=O)c1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccccc2CC)cc1 11251169 IWUISOCVSCULLW-UHFFFAOYSA-O 474.027 5.479 30 20 JKED N#CCc1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)cc1 11725362 OPCNTMOGZYDYDE-UHFFFAOYSA-N 469.423 5.474 30 20 JKED CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 12253838 UAHPDOYDNIZVCK-UHFFFAOYSA-N 462.623 5.025 30 20 JKED CC(C)c1ccccc1-n1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1cccnc1 15184011 CIFCJFXMQGWXCE-UHFFFAOYSA-N 482.613 5.492 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)nc3ccccc23)n(Cc2ccccc2)c1C 16656740 ZQDXOHOOCBQNAH-UHFFFAOYSA-N 472.932 5.022 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc4n3CCCCC4)c2C#N)C1 21373263 XFQNTHISEKODCI-HNNXBMFYSA-N 457.669 5.210 30 20 JKED N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 22141478 HHMHYIUKSQGGEU-UHFFFAOYSA-N 459.552 5.121 30 20 JKED COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2cccs2)n1-c1ccccc1 23284842 PPFXNYHBTRPQQG-SFHVURJKSA-N 489.626 5.432 30 20 JKED CCCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nc2sc3c(c2c1=O)CCC3 23393614 BFAFVKGECNCEDN-KRWDZBQOSA-N 480.659 5.093 30 20 JKED C=CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nc2sc(C)c(C)c2c1=O 23405198 LLCVYKNQJLXGDP-CVEARBPZSA-N 459.662 5.167 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)CC1 23501093 PSUZRNGSZINWNV-DMAKZNTKSA-N 467.085 5.728 30 20 JKED CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(C2SCCCS2)cc1 24104125 SRVGEVOAQQGQEK-UHFFFAOYSA-N 464.406 5.807 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)c3cnn(C(C)C)c3n2)s1 26020297 OXQBKIWDMWHNSM-UHFFFAOYSA-N 488.592 5.022 30 20 JKED CCOc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2C#N)c2c[nH]c3ccccc23)cc1OC 29010275 GQLRJMKJAKJLIH-XXBNENTESA-N 483.568 5.162 30 20 JKED Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1 36275057 CFVZXDQZKXTRKB-UHFFFAOYSA-O 450.798 6.294 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nc2sccc2c1=O 36800037 JZBTUNPQLIMCTB-NRFANRHFSA-N 477.611 5.433 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 72066926 UDISDBLBLJSURQ-UHFFFAOYSA-N 487.519 5.859 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 117247756 PIPIKOTXGKPBHV-UHFFFAOYSA-N 473.573 6.620 30 20 JKED C=CCn1c(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1-c1ccccc1F 195569582 OFGIJZCWLVURAD-CYBMUJFWSA-N 495.630 6.150 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)[C@@H](c3ccccc3)N3CCSCC3)c2)cc1 195739170 JSFYKCARGQLQCD-AREMUKBSSA-N 457.599 5.060 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@@H]3c3nc(-c4ccccc4)no3)c2)cc1 303226866 UEQDDECCKHKAJD-XMMPIXPASA-N 450.498 5.768 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 475244440 MYXJLFPRZRYJJB-UHFFFAOYSA-N 489.535 5.352 30 20 JKED Cc1ccc([C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)N2CCCC2)o1 481593047 CAORKTCTWPGBFV-QHCPKHFHSA-N 462.525 5.136 30 20 JKED CCOc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 487356122 QWSWQKDKFRXKIH-UHFFFAOYSA-N 461.465 5.041 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)Cc3ccc(OC(F)F)cc3)s2)c(C(F)(F)F)c1 487419601 LNTVWPQAEKBWGY-UHFFFAOYSA-N 467.419 5.407 30 20 JKED O=C(NCc1cccc(OC(F)F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 497035261 UIJOKFHYTWRFCE-UHFFFAOYSA-N 479.327 5.441 30 20 JKED CCc1nc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1-c1ccccc1Cl 498375666 NELAQENTRWWLCA-UHFFFAOYSA-N 471.948 5.380 30 20 JKED CCCC(=O)Nc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 503157989 KSFXGSGPUNAHKU-UHFFFAOYSA-N 456.546 5.392 30 20 JKED CC[C@H](C)n1c(SCCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1 504278346 BUWORAVQDQEWGM-HNNXBMFYSA-N 451.621 5.459 30 20 JKED C=CCn1c(SCC(=O)Nc2cccc(N3CCCC3)c2)nnc1-c1ccc(Cl)cc1Cl 505866662 SZFJMSHWXQWNEM-UHFFFAOYSA-N 488.444 5.769 30 20 JKED N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 506668464 JSFDYEOMIGTJJF-UHFFFAOYSA-N 486.557 5.286 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 509904020 ZXBNUJNHEKXQSB-UHFFFAOYSA-N 483.355 5.399 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl 510028300 XETXNIJDRQWPAB-QHCPKHFHSA-N 493.394 5.639 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)cc1 510749772 IVVSHAXTGJYMIH-SFHVURJKSA-N 460.603 5.815 30 20 JKED CN(CCOc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 511328491 UVQCXBXUQQCLNE-JOCHJYFZSA-N 482.367 5.125 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc(C(F)(F)F)cn1 513176234 OWNRXYMERVSPSP-OAHLLOKOSA-N 457.412 5.039 30 20 JKED C[C@H](Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1)C(=O)N(C)CCC#N 513247302 MQXPLAFKIJMUTD-HNNXBMFYSA-N 477.977 5.458 30 20 JKED Cc1ccc(CC(=O)N2CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)cc1 513983751 TXTASEINMUKVAB-VWLOTQADSA-N 487.003 5.223 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 514434397 TXJMURRPQLHTOT-OAHLLOKOSA-N 469.517 5.533 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 515674949 OXPRZHSTDOVBMA-UHFFFAOYSA-N 483.959 5.448 30 20 JKED Cn1c([C@@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)nc2ccccc21 516265520 POPIQRNTTAYUQL-KRWDZBQOSA-N 464.294 5.757 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 516269912 DJFJOTZIQNVSBW-JOCHJYFZSA-N 480.549 5.101 30 20 JKED CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 517312329 CBVQGHYQBXTYTB-UHFFFAOYSA-N 496.546 5.436 30 20 JKED Cc1c([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)oc2ccccc12 517823154 YZIWPAJTOHIPDD-JTSKRJEESA-N 471.944 5.866 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1ccccc1OC(F)(F)F 517837648 BUQHQCSGMKSSCP-UHFFFAOYSA-N 483.446 5.155 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 518137416 GHBSSCUOEVXUMN-CQSZACIVSA-N 482.959 5.861 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1C 519942337 DSTODVDZIUPMNJ-UHFFFAOYSA-N 469.520 5.337 30 20 JKED COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(Oc5cccc(C#N)c5)cc4)CC3)c2c1 520197113 VGFVDVCNCPEMDQ-UHFFFAOYSA-N 466.541 6.252 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 521714376 CUPHOXFWGYJUOL-UHFFFAOYSA-N 452.898 5.442 30 20 JKED Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 521768353 FZYOLAZHMPQYFL-MRXNPFEDSA-N 450.322 5.471 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 521769863 VWDSUZKGYUYZHQ-FXAWDEMLSA-N 458.649 5.029 30 20 JKED CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n2)cc1 524456125 SDRPVNIHBFOIRM-UHFFFAOYSA-N 486.503 5.296 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CCOCC2)cc1 557728144 OZKPYIJFNBMWHD-UHFFFAOYSA-N 471.557 5.619 30 20 JKED Cc1ccc(-c2noc([C@H](C)SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1F 561176406 SFJHDGBWAWURQU-HOTGVXAUSA-N 470.595 6.011 30 20 JKED O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 590875597 LJPMWDKPUPCNCT-BETUJISGSA-N 480.355 5.160 30 20 JKED C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(NC(=O)c2ccccc2)c1 603689949 VBAUKKBAFPKQTR-IBGZPJMESA-N 477.524 5.881 30 20 JKED N#CCSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(Br)cc1F 604009781 YUFJPLYVRPJDDE-QHCPKHFHSA-N 484.394 5.522 30 20 JKED CC(C)CC[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccc(Cl)cc1 604130288 WKWFCJSTHPOCRT-HXUWFJFHSA-N 455.990 5.086 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@@H]3C(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 609061888 ZOJIPXIWWVPKJC-JOCHJYFZSA-N 498.366 5.670 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)cc2)c1 609064099 IOAFHBZRSWLDPY-UHFFFAOYSA-N 460.490 5.057 30 20 JKED C[C@H]1CCc2c(sc(NC(=O)CCN3CCC(c4nc(-c5ccccc5)no4)CC3)c2C#N)C1 609146140 GYIFLIWMSKLUGD-KRWDZBQOSA-N 475.618 5.003 30 20 JKED N#Cc1ccc(Oc2cccc(NC(=O)CSCc3nc(O)c4c5c(sc4n3)CCC5)c2)cc1 609175987 TXVKZFJKBOOHQF-UHFFFAOYSA-N 488.594 5.421 30 20 JKED CC(C)(C)n1ncc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C(F)(F)F 613344301 DLXMPPUMTNOUEH-LBPRGKRZSA-N 487.334 6.577 30 20 JKED COc1cc(OC)c(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 642281810 RRIBKEGJTYDTOG-CQSZACIVSA-N 463.342 5.633 30 20 JKED Cc1csc([C@@](O)(CC(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)C(F)(F)F)n1 725928645 BRNPBODSWHQOTF-QHCPKHFHSA-N 474.504 5.035 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 726072859 OUVBWZYPXSPPII-UHFFFAOYSA-N 476.939 5.712 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1cc(OC)ccc1OC 726394382 FQRMCKLIUMEGQQ-HSZRJFAPSA-N 475.570 5.003 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(C3CCCC3)C2=O)c1 726418998 GIGVCTAIIJCQBO-QQDOTYKZSA-N 487.647 5.098 30 20 JKED C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(CCc2ccccc2)Cc2cccnc2)c1=S 726965895 PQVIOLVYBLLUAN-AREMUKBSSA-N 499.640 5.210 30 20 JKED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)CC2)cc1 727864947 UXVKFXUNIHTXGV-UHFFFAOYSA-N 473.558 5.013 30 20 JKED CC(C)Cn1c(SCc2ccc(OCC#N)cc2)nc2ccc(Br)cc2c1=O 729240848 RCUXRSRFJOFDTI-UHFFFAOYSA-N 458.381 5.010 30 20 JKED COc1ccccc1-c1nnc(SCc2ccc(OCC#N)cc2)n1CCc1ccccc1 729242721 YVLQLRWRRBTFHN-UHFFFAOYSA-N 456.571 5.391 30 20 JKED CCC(CC)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(NC(C)=O)c1 729634969 YBLYVUUEESDURR-JOCHJYFZSA-N 484.597 5.181 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)c1 729669435 XIMQJWZPSDLAKV-UHFFFAOYSA-O 489.548 5.135 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2cccc(C)c2)c1 729670786 ZUHFKZMEVGFFDB-UHFFFAOYSA-O 479.622 5.960 30 20 JKED CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O[C@H](C)C2 730689929 MXGHVMBHVHAACM-BGIURUKPSA-N 486.515 6.017 30 20 JKED CC(C)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2cocn2)cc1 730714086 WKXFFRMTECSOEK-NRFANRHFSA-N 482.993 5.612 30 20 JKED COc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(F)c2)c(F)c1 731078735 SHSQRWXKESZVAT-INIZCTEOSA-N 496.535 5.688 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2cc3ccccc3[nH]2)cc1 731305074 GIIWICNZNZPDOD-XMMPIXPASA-N 484.581 5.342 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cc3ccccc3o2)C1=O)Nc1cccc(O)c1 731310928 SRZWOLPJUWSJPM-QHCPKHFHSA-N 489.528 5.438 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 744761720 PCDOOQGWGOOHKC-UHFFFAOYSA-N 477.546 5.628 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 746663088 AOMPXLPXOCRQFN-FCSFWHPOSA-N 496.658 5.356 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 746696856 WDQJFNRUQJSAGT-HXUWFJFHSA-N 477.989 5.256 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cc3ccccc3[nH]2)C1=O)Nc1ccccc1F 746698077 UATVYUYTVLVDLL-QHCPKHFHSA-N 490.535 5.607 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCCOC1CCCC1 747043285 JFOWCPXHROABRM-HSZRJFAPSA-N 481.618 5.005 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C(\C(=O)Nc3cccnc3)C(=O)c3ccccc3)c2)cc1 747128110 OGKYKRHIRQXDMH-ITYLOYPMSA-N 477.520 5.248 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(OC3CCCCC3)cc2)cc1 750379669 TYOZZYVAALRDPB-MHZLTWQESA-N 467.569 5.308 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OCc2cccc(NC(=O)c3ccccc3)c2)CC1 750428574 KUSWFYCSQAHXPR-UHFFFAOYSA-N 496.523 5.018 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)c(Cl)c3)N(CC(F)(F)F)C2=O)c1 799214105 GNJPYDAERDWHJF-KRWDZBQOSA-N 487.906 5.619 30 20 JKED C=CCOc1ccc(/C=C\C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc1OC 899160086 JOIGSLBBUGCOCF-KAMYIIQDSA-N 458.562 5.205 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2F)c(C)s1 914689861 BSFLZASLJWGFNC-CWTRNNRKSA-N 463.575 5.005 30 20 JKED N#C[C@@H](C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nc2ccccc2n1C(F)F 915107400 SNCAYNMCNOCKGK-RXVVDRJESA-N 492.913 5.822 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(C[C@@H]3CCCO3)C2=O)cc1 916206673 RJBJYEKQFHOXRH-ZEQRLZLVSA-N 493.629 5.152 30 20 JKED O=C(C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 916217735 WDDVVMISAOUABN-NRFANRHFSA-N 494.960 5.524 30 20 JKED COc1cc(C=Nn2c(S)nnc2C(F)(F)F)ccc1OCc1cccc(C(F)(F)F)c1 916305325 NZHMFSWKOMKDNY-UHFFFAOYSA-N 476.402 5.074 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=NNc2nc(-c3ccccc3)cs2)cs1 916545863 ZHQNTMLPIWXEQJ-UHFFFAOYSA-N 487.532 6.416 30 20 JKED CCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC 916883565 MVDBQCHWDBVLOW-AWEZNQCLSA-N 454.882 5.023 30 20 JKED N#C[C@H](C(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)Nc1ccc(SC(F)F)cc1 916886551 IBOMBYFYFASLBS-QGZVFWFLSA-N 461.490 5.154 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc2sc3ccccc3c2s1 916887811 RFDAAWJATCNUOR-CQSZACIVSA-N 458.536 6.392 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2ccccc2n1Cc1ccccc1F 916906653 IIUOYWIWECCULV-QHCPKHFHSA-N 467.544 5.915 30 20 JKED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)cc1 916909916 LSTALMJDKNYZHD-NRFANRHFSA-N 476.989 5.632 30 20 JKED N#C[C@H](C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccc(Cl)cc1Cl 916931458 LOMPYZHQYOEHGJ-OAHLLOKOSA-N 477.735 5.367 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1Cl 916937923 GUPCGDAOYGKYMW-HNNXBMFYSA-N 499.379 5.672 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)n2)cc1 916972897 RGOLLCFJAOKIEP-FZOAFFARSA-N 477.586 5.025 30 20 JKED Cc1ccc(C(=O)N[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)C(C)C)cc1 916995251 CWBMLFDWWOIYNB-NQIIRXRSSA-N 486.424 6.056 30 20 JKED N#C[C@H](C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1nc2cc(C(F)(F)F)ccc2s1 917044407 SVXXEQGFAJWYGY-CQSZACIVSA-N 484.908 5.151 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cs1 917558980 BPURQCQFAZFWKD-DHZHZOJOSA-N 476.485 5.821 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2ccccc2c1 917699695 FIKBYYNMALZVSR-HXOBKFHXSA-N 461.587 5.054 30 20 JKED C=CCNC(=O)Nc1ccc(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)cc1 918234556 DNIBLRMDBGWLEM-UHFFFAOYSA-N 462.575 5.684 30 20 JKED C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)OCC(=O)Nc1ccccc1SCC#N 919510609 VCGOAMOCNWCIEJ-GFCCVEGCSA-N 455.388 5.272 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3sc(C)nc3-c3ccc(C)cc3)n2)cc1 920139646 WNVWVHZLOUMSIK-HXUWFJFHSA-N 459.596 5.978 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OCc4c(C)noc4C)cc3)n2)cc1 920142987 NZQLOYWLRUVPQJ-QFIPXVFZSA-N 473.554 5.422 30 20 JKED N#C[C@@H](COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Cc1ccc(F)cc1 920877738 NPNXZTLFLMLYKX-FQEVSTJZSA-N 456.473 5.292 30 20 JKED C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 920888037 JSYKEAWLOFZNAJ-FQEVSTJZSA-N 457.599 5.178 30 20 JKED Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)o2)n1 921253690 UJEYAWYWOFATLF-CABCVRRESA-N 472.661 5.683 30 20 JKED C=C(C)CC(C)(C)C(=O)NC1(c2ccc(NC(=O)[C@H]3CCN3C(=O)OC(C)(C)C)cc2)CCC1 1786564195 NVHVEPWWRODDNY-OAQYLSRUSA-N 469.626 5.122 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccncc3-c3cccc(C)c3)cc2)CCC1 1788359427 QBISKKCUBFTMQS-OAQYLSRUSA-N 469.585 5.396 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1ccc(C2(NC(=O)C3(C(F)(F)F)CCC3)CCC2)cc1 1788649283 GSDLLTFJCXZKDO-MDZDMXLPSA-N 476.520 5.354 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)c3cn4c(Cl)cccc4n3)cc2)CCC1 1788941281 OXLKDLDPYTUVMJ-HXUWFJFHSA-N 462.981 5.504 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)CCC2)cc1 1789449076 KXWVJWZYVMORSU-QHCPKHFHSA-N 483.653 5.534 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccccc4Cl)CCC3)cc2)c1 1790072584 HBBBGTCQCMHNOL-UHFFFAOYSA-N 473.960 5.211 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)Cc4cccc5ncccc45)CCC3)cc2)c1 1790255853 VRVHEPVGPSMBKF-UHFFFAOYSA-N 460.537 5.097 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=CCC3)CCC2)cc1 1790469815 LXGXOIBPINHNIE-QPPBQGQZSA-N 493.648 5.174 30 20 JKED Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(Br)c(C#N)c4)cc3)CCC2)cn1 1790744864 XPVIYISCOCTKET-UHFFFAOYSA-N 489.373 5.086 30 20 JKED CCn1nc(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)cc1C 1790784966 GNPJYQDYYBDLRK-UHFFFAOYSA-N 495.505 5.163 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccnc5c(O)cccc45)cc3)CCC2)c1 1790980180 OKXNPFJKCYQPES-LJQANCHMSA-N 490.563 5.629 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3cccc4nc[nH]c34)CCC2)cc1)c1ccc(O)cc1 1791646520 WJQPOZLKWIATLI-OAQYLSRUSA-N 492.579 5.213 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)C[C@H]1C 1799950091 WRBSHSJSDYABND-CRUNJEDWSA-N 491.717 5.315 30 20 JKED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([C@@H](F)c2cccc(F)c2)c1 1800278798 ZYNJXLFTPMVMKN-HUUMMWPTSA-N 472.601 5.091 30 20 JKED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1803455745 GXIDSDJSRDWMQL-FUFSCUOVSA-N 495.648 5.107 30 20 JKED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@@H]1c1cccnc1 1803455763 GXIDSDJSRDWMQL-PWUYWRBVSA-N 495.648 5.107 30 20 JKED Cc1ccc(S/C=C/C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc([C@H](C)C#N)c2)cc1 1803680616 HUGXXPVDOXFGBF-XITVQYQTSA-N 459.615 5.180 30 20 JKED O=C(NC[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1cccnc1)c1cccs1 1805391449 BLQXKHQSIJCIIY-XCZPVHLTSA-N 491.616 5.176 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC3(CCCN(C(=O)CSc4ccc(F)cc4F)C3)CC2)c1 1805929519 GPZQWNTZJAAYBH-LJQANCHMSA-N 497.611 5.229 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(F)cc(F)cc3[nH]2)[C@@H]1c1cccnc1 1809200184 VKZLWSCNTGTIKO-KOSHJBKYSA-N 480.559 5.153 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)[C@@H]4[C@@H]5CCC[C@H]4c4ccccc4N5)C3)CC2)c1 1809633476 MEADBFDPYDSHFJ-MYKRZTLLSA-N 496.655 5.090 30 20 JKED N#CCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc4cc(F)ccc4s3)[C@H]2c2cccnc2)cc1 1809848022 MATZJLKNUPBIFB-QFQXNSOFSA-N 498.583 5.135 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C)cc2Cl)[C@H]1c1cccnc1 1810179092 XENSDVPQJLCXHK-LGVFNWMJSA-N 451.998 5.131 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccnc2-c2ccccc2)[C@H]1c1cccnc1 1810500429 PRTDBNGGBORYDB-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Br)cs2)[C@@H]1c1cccnc1 1810500523 RPOTYPZXUBENAR-FXAWDEMLSA-N 490.467 5.218 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC2(CCCN(C(=O)c3c[nH]c4nccc-4c3Cl)C2)CC1 1810682944 NLDZXOFXYMDZGU-UHFFFAOYSA-N 499.131 5.064 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1810772531 ZJQSIIOGFKSMFB-OFNKIYASSA-N 498.465 5.465 30 20 JKED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2c2cccnc2)cc1Cl 1811418245 SOCUEMVQPJIEHG-HYBUGGRVSA-N 493.394 5.202 30 20 JKED CCCCCc1cccc(CC(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3)[C@@H]2c2cccnc2)c1 1811792807 MGYUIFPEBGGSHG-DGPALRBDSA-N 494.639 5.248 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(C4CC4)cc3)[C@@H]2c2cccnc2)c1 1811858490 NUUJJLHMSOQZAK-ANFLZCCJSA-N 478.596 5.219 30 20 JKED C#CCCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2Cl)[C@H]1c1cccnc1 1813227517 FJIZPRWQCCLLKE-DVECYGJZSA-N 472.416 5.210 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)C3(c4ccccc4)CCC3)[C@@H]2c2cccnc2)c1 1813869587 KXLICOKTVYALFC-DUFKRMHYSA-N 492.623 5.150 30 20 JKED CC(C)[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)[nH]n1)c1ccccc1 1814930775 BVCWNMSXHSRUEV-RPLLCQBOSA-N 487.579 5.095 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1 1818214260 CHLLKDJMFSGZGS-QGZVFWFLSA-N 487.473 5.328 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(Cl)o2)n[nH]1 1818426957 XZTLUEIUQPZNKS-KRWDZBQOSA-N 461.038 5.013 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3nscc23)[nH]n1 1819386645 FUFRBJUSSNHVFK-QFIPXVFZSA-N 493.709 5.376 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)C/N=C/c3ccco3)n[nH]2)c2ccccc12 1819481442 QAGIIBPOXDARET-TWKIEXGSSA-N 497.599 5.208 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)[nH]n1 1819555489 JCTLPORGRNGWJL-OAQYLSRUSA-N 461.566 5.363 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](c2ccccc2Cl)N(C)C)[nH]n1 1819555946 LWGXZPJPLXCBKW-GGAORHGYSA-N 486.060 5.351 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ncccc3C(F)(F)F)n[nH]2)c1 1819901734 AQRFZYUPNCAFMG-MGPUTAFESA-N 496.493 5.070 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3occc3n2-c2ccccc2)n[nH]1 1820087772 GEFGBMNYXQGREW-DVECYGJZSA-N 491.617 5.207 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)[nH]n2)c1Cl 1820218418 WVRVTPSGTKFLIF-VWPQPMDRSA-N 491.954 5.183 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820237380 ITXSUIXHUHTQJN-QFIPXVFZSA-N 459.525 5.071 30 20 JKED COc1ccc(Cl)cc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1820656235 SCCRALZLVSNERN-AOMKIAJQSA-N 491.979 5.318 30 20 JKED C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](c2ccc(OCc3ccccc3)cc2)C(C)C)n[nH]1 1822254621 VJNHVDZYGQYBBO-LBNVMWSVSA-N 484.600 5.054 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(N(C)C)cc2)n[nH]1 1822614644 DADBXBMHANVBAC-QHCPKHFHSA-N 465.642 5.093 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccc(F)cc3F)[nH]n2)c1 1823212827 WZZFXRMHBCQCRO-HCMIAYRWSA-N 489.526 5.334 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1823702170 WIGUQLRDZKLORL-ZEQKJWHPSA-N 494.079 5.827 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](c3ccccc3)N(C)Cc3ccccc3)CC2)C1 1823702950 HIHJPQOJHPIHRF-KYJUHHDHSA-N 499.699 5.446 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1824145375 XVUSOVUIPKZULL-HHHXNRCGSA-N 479.640 5.628 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnn(C(C)(C)C)c3Cl)CC2)c1 1825567916 AJTJUWDZWWGDSV-HSZRJFAPSA-N 496.055 5.019 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)ccc1F 1826401257 QKRLTSHLOKRTDK-GDLZYMKVSA-N 497.614 5.255 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 1826420930 BRTWWSZAWXEEFK-CBRSEMLDSA-N 468.682 5.009 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccccc3Cl)CC2)ccc1F 1826570119 YXCPUPOJZQJFLS-SANMLTNESA-N 496.026 5.146 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccccc2Cl)CC1)c1cccs1 1826573787 YMJPFYPDEHXPKI-BWSGXRDBSA-N 499.076 5.393 30 20 JKED O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826679708 JOYWYPRNKLIAIL-QGZVFWFLSA-N 468.413 5.030 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@]2(F)CCCCC2(F)F)CC1)c1cccs1 1827682773 LDBGYENRZHTWPX-ZEYXJXHJSA-N 496.595 5.024 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnn3-c3ccccc3)CC2)c1 1827971229 USIDVUWVMVVWJC-AJTFRIOCSA-N 495.627 5.046 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C)oc3cc(O)ccc23)CC1 1828216064 AKQUYDGQTCVTEN-HSZRJFAPSA-N 466.622 5.673 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(C)cc(C#N)c3)CC2)cc1 1828344939 RINMHMFUZSCSGN-SANMLTNESA-N 475.658 5.201 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 1828461361 ZFXXFMMOLCNJRA-ADHNFCLRSA-N 450.614 5.424 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 1828822544 ZHUWSTQBEJHSQP-AHKZPQOWSA-N 474.645 5.607 30 20 JKED COc1ccccc1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685310 BBHUVDLBBZBXRN-DEOSSOPVSA-N 494.035 5.086 30 20 JKED Cc1cccc(-c2ncccc2C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)c1 1829952273 HDCUTJXJPDTCPM-NDEPHWFRSA-N 492.623 5.476 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c3ccccc3n3ccsc23)CC1 1830413172 CWGPFXFQEPTJPV-DENIHFKCSA-N 494.661 5.188 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc3c2oc2ccccc23)CC1 1831059164 FVHOZHIDSHRVMU-CJFMBICVSA-N 458.602 6.032 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2cccc(OC)c2)CC1 1831369883 GFBHRDCHKTWNEP-HFZDXXHNSA-N 475.633 5.203 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c[nH]c3ncc(C(F)(F)F)cc23)CC1 1831372754 JKZYAOYTBJKKOX-IERDGZPVSA-N 476.543 5.027 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccnc2-c2ccc(F)cc2)CC1)C(F)(F)F 1831453110 MHACICZONHGJEL-QFIPXVFZSA-N 489.513 5.240 30 20 JKED C=C(C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCSCc2ccc(C)cc2)CC1)C(F)(F)F 1831455381 PDRBRBXTXDDTAL-QFIPXVFZSA-N 482.612 5.357 30 20 JKED CC(C)c1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3ccc(F)c(C#N)c3)CC2)cc1 1831598795 HLFIKURNZNVUHU-MUUNZHRXSA-N 489.635 5.226 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)cc2)CC1 1831685937 GLAHFJBZYVPGFQ-MAIVGLDJSA-N 495.408 5.293 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(OCC)c(OC)c2)CC1 1831737477 DLQDZYKKNGWRRC-VWLOTQADSA-N 482.665 5.025 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccnc2-c2ccccc2C)CC1 1832028141 LBBACUXZEKGLOL-HHHXNRCGSA-N 471.645 5.484 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)s2)CC1 1832170647 QCTYVBISSAEQGA-QRBZPYHOSA-N 497.524 5.063 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1)c1ccccn1 1832330428 WVNUBOYNKRWDEF-UUOWRZLLSA-N 498.549 5.009 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832564749 HNCGUGYXXICCIP-OAQYLSRUSA-N 495.447 5.045 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C34CCC(CC3)CC4)CC2)c1 1832635643 NFHHFLLVXZPYQD-ZFPXVQSOSA-N 461.650 5.517 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OC)cc2Cl)CC1 1832659688 ZWDUYYCONOATBN-XMMPIXPASA-N 459.030 5.350 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3c[nH]c4ncccc34)CC2)c1 1832866082 JBWPAJUHBSJVRD-ZBLYBZFDSA-N 497.643 5.056 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1835683562 LAVKTKVHELCAFJ-OAQYLSRUSA-N 492.491 5.255 30 20 JKED CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C#N)c3Cl)CC2)CC1)c1ccccc1 1837634459 IXYBNNZQRBWGNJ-XMMPIXPASA-N 494.035 5.018 30 20 JKED C=C1CC(C(=O)N2CC3(CCCN3C(=O)[C@@H](c3ccc(OCc4ccccc4)cc3)C(C)C)C2)C1 1846247065 BWJCFQIATLRCAM-HHHXNRCGSA-N 472.629 5.175 30 20 JKED CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(OC(F)F)cc2)cc1 10172810 MMRZOPUWKNVHKM-UHFFFAOYSA-O 472.581 5.534 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(C)cc2)cc1 10173178 XRMLPDYQLDKFTF-UHFFFAOYSA-O 453.578 6.515 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2ccc(-c3ccccc3)cc2)[n+]2cccc(C)c2)c1 14872088 UMWBUQVTQFFCTQ-UHFFFAOYSA-O 451.615 6.563 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(Cl)c2Cl)n(Cc2ccccc2)c1C 16582052 PMCFOLHATDKLBZ-UHFFFAOYSA-N 456.329 5.127 30 20 JKED Cc1cccc(OCc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3cccc(F)c3)o2)c1 16628937 VEAQZUQUJJOKEF-UHFFFAOYSA-N 491.548 5.106 30 20 JKED CCCCSc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)s1 16670478 QJGYVZUIJINTPB-UHFFFAOYSA-N 489.667 5.639 30 20 JKED Cc1ccc(-n2c(Cc3ccccc3)nnc2S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(C)c1 21227522 PXZMAQXWLXAGIA-FQRUVTKNSA-N 461.635 5.010 30 20 JKED COCCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2cc(Cl)ccc21 21476467 KKDWTTOLDTYCIR-UHFFFAOYSA-N 475.039 5.269 30 20 JKED Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccccc1 21604330 IVNOHINIHKSYMH-OAHLLOKOSA-N 463.950 5.480 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NCCc2ccccc2)cc1 22735245 CIGADBZDSVLXSF-UHFFFAOYSA-O 473.449 5.118 30 20 JKED N#CCCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CC2 24767621 IKCKWKRASRFVIT-FOWTUZBSSA-N 480.351 5.215 30 20 JKED Cn1ccnc1[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(Cl)cc1 32053160 SJYOZHFKSNBCCF-DEOSSOPVSA-N 456.933 5.044 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1[C@H]1COc2ccccc2O1 32557081 XXBPNIAUGKJFHE-WIYYLYMNSA-N 464.591 5.021 30 20 JKED Cc1c(C(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1-c1ccc(Br)cc1 78720123 VRYFUCKWAKUVQC-CQSZACIVSA-N 455.381 5.590 30 20 JKED CCCCc1c(C)nc2nc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)nn2c1C 108247413 UFVMQOLDZDACMM-LJQANCHMSA-N 476.631 5.176 30 20 JKED Cc1ccc2nc(COc3cccc(C(=O)[C@@H](C#N)c4nc5cc(Cl)ccc5s4)c3)cn2c1 195664181 IHXAQCODKBOPFW-HXUWFJFHSA-N 472.957 5.975 30 20 JKED CS(=O)(=O)c1ccc(OCCCCC(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 303075904 RCSWDLQSCQMHLR-FQEVSTJZSA-N 489.018 5.293 30 20 JKED COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1SC 483443809 XBSNIIHGESXXJX-UHFFFAOYSA-N 469.906 5.895 30 20 JKED C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 485268492 DPNMDEJAVNLOAO-QGZVFWFLSA-N 481.474 5.314 30 20 JKED C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 487389860 UPLLVCLFQZZUIW-DJJJIMSYSA-N 484.503 5.471 30 20 JKED C=CCN(C(=O)c1sc(C(C)(C)C)nc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 488868193 QKSXDGONCIEMHV-UHFFFAOYSA-N 475.661 5.109 30 20 JKED C=CCN(C(=O)CCc1ccccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 491079105 YWHKLAFRGJRBSN-UHFFFAOYSA-N 461.008 5.019 30 20 JKED Cc1cccc(C)c1OCc1nnc(SCC(=O)N(C)Cc2cccc(C#N)c2)n1-c1ccccc1 498489884 AJODXVTUOPYRAK-UHFFFAOYSA-N 497.624 5.086 30 20 JKED CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1C#N 498610106 JVZITKZDWRIHHF-UHFFFAOYSA-N 454.555 5.008 30 20 JKED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccccc2COCc2ccccc2)CC1 501142801 LZDMHWOJVPIJLO-UHFFFAOYSA-N 477.568 5.177 30 20 JKED N#CCCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 505087966 UGHZBYHLDBXVDK-UHFFFAOYSA-N 474.417 5.202 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 508266029 LEYXITVESWOFRN-FQEVSTJZSA-N 470.529 5.242 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1 508796835 SUZDZQNYXHLNJX-UHFFFAOYSA-N 460.961 5.269 30 20 JKED CN(CCOc1ccc(Br)cc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 511436794 GRAJSFUNWKAMBU-UHFFFAOYSA-N 494.389 5.637 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)c2)c1 515675843 YFERQQCFSIWOKV-UHFFFAOYSA-N 455.445 5.374 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cc1 517404007 ITPLRKJALQVLAT-YADHBBJMSA-N 463.400 5.899 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 517528319 ZPYDBIFUOFUEJN-MRXNPFEDSA-N 486.435 5.020 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 517820955 MWLAKDKTMXGJKZ-UHFFFAOYSA-N 468.340 5.007 30 20 JKED Cc1nc(CCC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)oc1-c1ccc(Br)cc1 518207303 DZLYFTLFVHSPFG-QGZVFWFLSA-N 493.188 6.033 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 518661892 LODSDOLKAIXJMG-MRXNPFEDSA-N 469.563 5.131 30 20 JKED CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)n2)cc1 519131644 WTGXGCFHLYDDNX-SANMLTNESA-N 480.568 5.753 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 519942202 GXXJCGVSVMJRES-UHFFFAOYSA-N 487.560 5.179 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1 520530944 XJELENRYPSMUTM-UHFFFAOYSA-N 457.580 6.660 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC(c1ccccc1)c1ccccc1 521740127 OAFBHRSGLVLWAD-UHFFFAOYSA-N 483.515 5.555 30 20 JKED COC(=O)c1occc1CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H](C)c1ccccn1 523039344 ZLEVCYFAASMGNP-HXUWFJFHSA-N 495.535 5.315 30 20 JKED COc1ccccc1N1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 524438783 VLJTXSFXUAUIOA-UHFFFAOYSA-N 470.573 5.245 30 20 JKED COc1ccc(C(C)(C)CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 554148993 ZGQSTVHIHLXTHA-UHFFFAOYSA-N 473.598 5.005 30 20 JKED C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1)[C@H](C)c1cccc(-n2cnnn2)c1 596295964 WTTGKUFUAABFMN-HXOBKFHXSA-N 450.974 5.116 30 20 JKED N#Cc1ccc(N2CCC3(CC2)Nc2ccccc2C(=O)N3c2cccc(C(F)(F)F)c2)cc1 602754848 BVRKXFUVOICNCM-UHFFFAOYSA-N 462.475 5.646 30 20 JKED COc1cccc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)oc12 603672654 QGNNILLSCXBRHF-UHFFFAOYSA-N 457.433 5.631 30 20 JKED N#Cc1ccc(CSCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 603737965 JBUVIQIVWMNASV-UHFFFAOYSA-N 452.583 5.020 30 20 JKED CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cn1 603829332 SYHWUZVZGKHZKA-UHFFFAOYSA-N 481.512 5.653 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 603956138 GTAZJUJCBLTACM-UHFFFAOYSA-N 469.969 6.276 30 20 JKED C[C@@H]1CN(Cc2ccc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2)C[C@@H](C)O1 603992522 XZIOKKUJHABFKP-QZTJIDSGSA-N 457.599 5.247 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)c1 604541395 UVPVSDWWQHLQLW-DPSWKAHMSA-N 467.516 5.059 30 20 JKED C=CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 608934148 RNTIARPJGKJXMI-UHFFFAOYSA-N 492.340 5.629 30 20 JKED C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 609123720 LSQVGUSYEBRBRX-HXUWFJFHSA-N 484.575 5.724 30 20 JKED Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 609421283 QULDRQSJJUXDAA-UHFFFAOYSA-N 475.976 5.893 30 20 JKED Cc1cc(N(CCC#N)C(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)ccc1Cl 619817925 XEQHXYBROJQCDW-MRXNPFEDSA-N 454.983 5.417 30 20 JKED O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 622150829 BJOPUXQXUOKDGY-XHBSWPGZSA-N 474.392 5.874 30 20 JKED CCc1nc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nn1-c1ccccc1Cl 623173864 JAYCCRXNWZBPKK-LBPRGKRZSA-N 475.883 5.602 30 20 JKED C=CCn1c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nnc1-c1ccccc1 623375073 JDEWFPCAPGNAFS-UHFFFAOYSA-N 475.643 5.239 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccccc1OC 684998896 ZSYLUSBNYCIUKN-IBGZPJMESA-N 476.602 5.563 30 20 JKED CCOC(=O)/C=C/c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 726073338 HVKHNMBKOFXEED-NTCAYCPXSA-N 457.505 5.508 30 20 JKED N#C[C@@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1nc(-c2c(F)cccc2F)cs1 726329966 VXIWKIKARFKSET-PREGVCBESA-N 457.546 5.130 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 726394534 VJDMLBRUJGUFID-MHECFPHRSA-N 486.597 5.097 30 20 JKED CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 726396060 CSAOSLHXKDRAGI-OXJNMPFZSA-N 493.551 5.399 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2sccc2C)c1 726405199 LAQNMTSNLUOHMW-OAQYLSRUSA-N 477.586 5.337 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C#N)c(Cl)c3)N(Cc3cccs3)C2=O)cc1 726407235 PSDRDTKMHQALRP-OAQYLSRUSA-N 495.029 5.742 30 20 JKED N#Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCCC2)cc1Cl 726409322 RPINXXREICGGIF-FQEVSTJZSA-N 470.957 5.254 30 20 JKED C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC(F)(F)F)c1 726413538 UBOBVYLFQPEPRB-SFHVURJKSA-N 479.911 5.152 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[C@@H](C)c1ccccn1)c1cccs1 726421797 RZLDQKQFFDCYDZ-YKKHSHCJSA-N 482.606 5.433 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@@H](C)c1cccs1 726421827 PXTBTIOPUUENQK-QTTWMTAASA-N 483.581 5.957 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)C4(C)CCOCC4)c3C#N)C(C)(C)C2)o1 726842101 MXRZRNBLRLEOKF-VURMDHGXSA-N 494.613 5.598 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)n2)cc1 727626628 DRNFWPXDIBAVHL-QHCPKHFHSA-N 472.614 5.259 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1Cl 728423106 PDFPDSVIKCVGEJ-OPAMFIHVSA-N 489.988 5.328 30 20 JKED C[C@H](c1nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c(=S)n1-c1ccc(Cl)cc1)N(C)C 728903738 WJBVOTQPXBKVBC-GOSISDBHSA-N 497.068 5.052 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@@H](c2ccccc2)C2CCC2)C1=O)NC1CC1 729145132 IGWQNLPQPWHFIS-GGAORHGYSA-N 469.557 5.106 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)c1 730459427 JFCULYZJGQGIEV-FQEVSTJZSA-N 475.536 5.835 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)N1C1CCC1 730462493 YSMJYGQBVMZHEN-IBGZPJMESA-N 491.585 5.523 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2C[C@H]2CCCO2)cc1F 730533199 DSNTUJKIARUTCL-UTKZUKDTSA-N 490.000 5.235 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H](c2ccccc2)C2CC2)C1=O)Nc1cnccn1 730718445 ZIMRONFAMIOPEV-REWPJTCUSA-N 492.004 5.242 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(Cc2cocn2)C1=O)NCc1ccccc1 730726536 HJJKDAHHMMSZRN-VWLOTQADSA-N 496.592 5.180 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CCOCC3CC3)C2=O)c1 730945307 PUFUNEKIJCOXRC-KFBREGAESA-N 485.675 5.181 30 20 JKED Cc1nc(-c2ccsc2)ccc1C(=O)OCC(=O)Nc1ccccc1SC[C@H](C)C#N 731077300 LSMZYBODVQIFKI-OAHLLOKOSA-N 451.573 5.166 30 20 JKED CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Br)s2)cs1)c1ccc(F)cc1F 745998244 MKTWHIGDHYUEAH-HYXAFXHYSA-N 469.332 5.826 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CCOC(C)(C)C)cc1 746697796 MIKARIUGWVZKKN-FQEVSTJZSA-N 490.025 5.124 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1=S 747803124 HSCGFZNSMDSDPI-REWPJTCUSA-N 452.599 5.463 30 20 JKED CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cc(C)c(F)cc2F)cc1 748996334 WWWVJMVXMYPSDO-UHFFFAOYSA-O 450.534 5.708 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 749147155 CRORGSLLQYYFFF-SNAWJCMRSA-N 495.423 5.486 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)s2)cc1 750056537 ZAJAWPKRCQSNLF-UHFFFAOYSA-N 459.527 5.035 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 750302922 OMGDMQUKMAUPGU-VXKWHMMOSA-N 455.436 5.096 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 837284943 HGQXXFYVKZFKPD-IQGLISFBSA-N 498.583 6.095 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 837535976 NGSBWMPEIIGZFF-CLOONOSVSA-N 480.593 5.956 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccccc2F)C1=O 837740130 KNRHQGMRNDDHPI-QFIPXVFZSA-N 481.524 5.134 30 20 JKED N#Cc1ccccc1Oc1ccc(-c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1Cl 856572376 BJRQNWRJTTXHMZ-FQEVSTJZSA-N 476.964 5.950 30 20 JKED O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H](F)c1ccc(C(F)(F)F)cc1 857438878 ALPMBSGBPDRJOC-LJQANCHMSA-N 462.409 5.516 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1 914548173 BTVXFWWHGGIRNA-QHCPKHFHSA-N 488.613 5.176 30 20 JKED COc1ccc2c(C)c(CCC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)c(=O)oc2c1 915055421 MSMXEPQTDKLFFJ-UHFFFAOYSA-N 469.497 5.049 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2OC(C)C)c1 915283798 CIAVEUZSNSLPAS-UHFFFAOYSA-N 485.005 5.761 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 916204307 BUWJBCXIDJKUCB-HSZRJFAPSA-N 457.555 5.050 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2C[C@@H]2CCCO2)c1 916207913 OTESOKGSFTUNDM-LPHOPBHVSA-N 492.428 5.441 30 20 JKED COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cc(C)cc(C)c1 916212071 RSFJAZSEVRUGBN-GOSISDBHSA-N 480.417 5.217 30 20 JKED COc1cc(C=NNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916250814 XGZNLCMYRNRMRH-UHFFFAOYSA-N 457.452 5.486 30 20 JKED Cc1sc2ncn(N=Cc3cn(Cc4ccccc4Cl)nc3-c3ccccc3)c(=O)c2c1C 916544392 HVOMTTRQHWSGPT-UHFFFAOYSA-N 473.989 5.522 30 20 JKED COCc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)sc2cccc(F)c12 916886392 GFALGYGTZHOCCK-ZDUSSCGKSA-N 464.490 5.463 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 916898684 DRICMWFLDFKVLV-NRFANRHFSA-N 474.561 5.621 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)C(=O)Nc4ccccc4Cl)cc3)o2)c1 916909274 LNBBDKSVVAVQAC-IBGZPJMESA-N 456.889 5.327 30 20 JKED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1ccc(Br)cc1 916928852 WEAGTQDRBGHYCH-HNNXBMFYSA-N 492.160 5.211 30 20 JKED COc1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 916997191 SVEJUWFRKPPOMA-XJKSGUPXSA-N 486.380 5.355 30 20 JKED N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2s1 917042284 DVFGWFRETWVMOG-LJQANCHMSA-N 466.484 6.298 30 20 JKED CC(C)CN(CCC#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 917364272 UXRSHENBONOBJY-UHFFFAOYSA-N 475.614 5.094 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2Cl)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccccc1 917375067 NEPCPNUYFAJMMT-DEOSSOPVSA-N 473.001 5.869 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2nnc(-c3ccccc3)n2-c2ccccc2)cs1 917547955 IABNBCUEBSWADR-UHFFFAOYSA-N 497.559 5.661 30 20 JKED N#Cc1c(CCCNC(=S)Nc2ccccc2Oc2ccccc2)nn(-c2ccccc2)c1N 917574880 QRMHZSACZFTULM-UHFFFAOYSA-N 468.586 5.038 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917678866 QHPVOBSKEAQICR-VJBWXMMDSA-N 497.064 5.236 30 20 JKED COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 917685938 PTJHNYOQXNHPFJ-UHFFFAOYSA-N 463.490 5.338 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C[C@@H]2CCCO2)C1=O)Nc1ccc(F)cc1F 917698754 CNXVJKIZEBMUST-REWPJTCUSA-N 495.551 5.257 30 20 JKED CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 917784682 YYXWYLVQYZINJC-UHFFFAOYSA-N 480.055 5.215 30 20 JKED N#C[C@@H](C(=O)C1(c2cccc(Br)c2)CC1)c1nc(-c2c(F)cccc2F)cs1 920806760 PKGUGTKQLPNMDH-AWEZNQCLSA-N 459.315 5.759 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]31)C2 1779511551 NHAVIGHVTDBTEB-OOIXFGODSA-N 458.687 5.099 30 20 JKED C=CCC(F)(F)C(=O)NC1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3Cl)cc2)CCC1 1785956872 HQRDCOZKWLXPAL-UHFFFAOYSA-N 478.923 5.316 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)COc3cccc(N(C)C)c3)cc2)CCC1 1786703971 SDVBLWPNFMIIBF-VWLOTQADSA-N 461.606 5.034 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(OC)cc3Cl)cc2)CCC1 1786705442 WSQLKJIGXRKTOE-UHFFFAOYSA-N 470.997 5.008 30 20 JKED Cc1nc(CC(=O)Nc2ccc(C3(NC(=O)c4ccc(OC(C)C)c(C#N)c4)CCC3)cc2)cs1 1786860953 FTFFWMOGSBGUEK-UHFFFAOYSA-N 488.613 5.101 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3CCCC3)cc2)CCC1 1787610256 NCIWSGNHGGZGQF-JOCHJYFZSA-N 469.626 5.170 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3c(-c4ccccc4)cn4ccccc34)CCC2)cc1 1787888543 XYSQAFWFBSZUJI-UHFFFAOYSA-N 462.553 5.658 30 20 JKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)Cc5ccc(C#N)cc5)CCC4)cc3)ccc2n1 1789030636 SJHOXQAGUVFAIG-UHFFFAOYSA-N 474.564 5.405 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CCC2)cc1 1789458230 REINOMBDWOLLSI-DHIUTWEWSA-N 481.637 5.288 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccnc(F)c3)CCC2)cc1 1789507599 LDSSTZKHCKSWEY-UHFFFAOYSA-N 451.618 5.020 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)NC1(c2ccc(NC(=O)C/N=C/c3ccco3)cc2)CCC1 1789577615 NESLPFXLKNASDF-STBIYBPSSA-N 482.540 5.110 30 20 JKED CCc1noc(C)c1C(=O)Nc1ccc(C2(NC(=O)c3cccc(C#N)c3Cl)CCC2)cc1 1789816682 JFXGHMWRLMMRCB-UHFFFAOYSA-N 462.937 5.132 30 20 JKED C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c4ccccc4n4ccsc34)cc2)CCC1 1790001033 FHNRGCNSIAKUMK-UHFFFAOYSA-N 455.583 5.705 30 20 JKED CC(C)(C)OC(=O)C(C)(C)CC(=O)Nc1ccc(C2(NC(=O)c3cc(C#N)ccc3F)CCC2)cc1 1790355240 OFWSUSUNPFAOME-UHFFFAOYSA-N 493.579 5.203 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cccc([C@H](C)C#N)c4)CCC3)cc2)c(O)c1OC 1790721574 YUBUJYZAZHXXCU-GOSISDBHSA-N 499.567 5.098 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4ccc[nH]4)CCC3)cc2)cc(C(F)(F)F)c1 1790785183 UAFDKQMBAUZWLY-UHFFFAOYSA-N 480.490 5.286 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3cc(NC(C)=O)ccc3Cl)CCC2)cc1 1791301077 OLCYESORXVDHLE-UHFFFAOYSA-N 475.923 5.258 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)cc2)CCC1 1791480554 HTGQAUBKUWIHGN-VHKYSDTDSA-N 473.436 5.005 30 20 JKED C=C(CC(=O)OCC)C(=O)NC1(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)CCC1 1792171207 DGBSYANQLHKHDS-UHFFFAOYSA-N 492.469 5.102 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 1800467664 IAXZKZWLVIFSIQ-PPRPKMEESA-N 489.925 5.551 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)ccc2F)C3)c1 1800781876 WNYYELPNFSVVCE-WKCHPHFGSA-N 498.396 5.149 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1 1801403207 UEMZGXCNZQJXMV-FUIJPYTFSA-N 485.672 5.266 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H]1c1cccnc1 1802930917 CAGUITTWNFRDGR-RVFVQDDPSA-N 463.597 5.023 30 20 JKED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803222068 LPJDGEMUADJXPM-AQNJTLAZSA-N 493.051 5.265 30 20 JKED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1cccnc1 1803446773 BPZSOQJEFXJMFM-FMVDIBJOSA-N 490.047 5.128 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(ccc5ncccc54)s2)C3)c1 1803681337 OJIMNIFUDSCIFI-HLRQEUIKSA-N 494.620 5.642 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(Br)c3F)CC2)C1 1805457570 GEGJWNBONXADJO-UHFFFAOYSA-N 477.418 5.201 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1807967859 YPRMDMWFJTYSTQ-GHTZIAJQSA-N 482.675 5.373 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)[C@H]1c1cccnc1 1808877345 VCOAFVTUOJWFJU-UKILVPOCSA-N 453.671 5.686 30 20 JKED Cc1c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)oc2ccccc12 1809167971 PJWSFEDHKYKDRJ-CJFMBICVSA-N 498.970 5.295 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc3c2CCCC3)[C@@H]1c1cccnc1 1810178996 VWHBMJDDQDYJJI-CLCZQPDDSA-N 457.618 5.048 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(F)cccc2Cl)[C@@H]1c1cccnc1 1811710154 OHNQNTAXICRTJT-GCJKJVERSA-N 457.977 5.186 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 1811823958 LWIUDYOHVKLDMF-MZKRTTBSSA-N 472.416 5.476 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](c2ccccc2Cl)N(C)C)[C@@H]1c1cccnc1 1812430027 FRYPCMLPGSZDBA-IEZKXTBUSA-N 497.083 5.036 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1812508614 IYLUUNRADORPGD-PFATUAPWSA-N 485.550 5.117 30 20 JKED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1cccnc1 1813035526 KLMAODJMBXTZQB-DIHQIUPISA-N 486.081 5.033 30 20 JKED Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)cc2s1 1814379139 DHVVMNXSBFAIHH-JOCHJYFZSA-N 486.601 5.071 30 20 JKED CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814379459 YVPRGFHFHKOXEY-RUZDIDTESA-N 499.615 5.397 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)[nH]n1 1814445225 FNUQHPQLVDBCLZ-UYAOXDASSA-N 489.661 5.088 30 20 JKED Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)cc1 1814739477 XBYRXVLRSZSOCW-NLFFAJNJSA-N 469.589 5.018 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCCCC3(F)F)n[nH]2)c(Cl)c1 1815353269 UPBFZWRABDTJKA-QFBILLFUSA-N 475.927 5.066 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccnc3-c3cccc(F)c3)n[nH]2)cc1 1817764836 LZXJXEFPCHTSLP-DEOSSOPVSA-N 494.530 5.102 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4scnc4c3)n[nH]2)c1Cl 1819149324 VIUXMYLLQGLWKQ-IBGZPJMESA-N 490.976 5.164 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC2CCCC2)[nH]n1 1819384284 IAPXBTLYNHYFHK-JOCHJYFZSA-N 456.707 5.423 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)[nH]n1)c1ccccc1 1819518765 DBZKQCDTHSZJNG-AUSIDOKSSA-N 485.613 5.456 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3occ(Cl)c3c2)n[nH]1 1820229672 VEYJHMGOYROYGX-XLIONFOSSA-N 460.987 5.070 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437245 BNUDZYGUCAEZDA-ISKFKSNPSA-N 488.588 5.081 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)n[nH]2)c1 1820588597 ZBJPDVLDOPZSTL-OAQYLSRUSA-N 481.478 5.228 30 20 JKED CC[C@H]1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)[nH]n2)CC1 1822223740 ZDFRLMSHILSVQE-ZFJSRUIDSA-N 461.610 5.123 30 20 JKED Cc1ccc(/C=C/C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)s1 1822738500 TXDHRMQCMZQZML-PFMUBIBJSA-N 473.602 5.426 30 20 JKED COC1(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#Cc4ccccc4)cc3)[nH]n2)CCC1 1823070888 GUNHJSHNHPYZCD-SANMLTNESA-N 496.611 5.075 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)[nH]n1)c1ccc(C(F)(F)F)cc1F 1823294449 OSDCHHQOBMMCJZ-HNNXBMFYSA-N 480.384 5.216 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(-c4ccc(Cl)c(C)c4)[nH]n3)CC2)C1 1823700617 GQCLFUGBZPWPKH-VWLOTQADSA-N 481.040 5.238 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1823702162 WIGUQLRDZKLORL-BVAGGSTKSA-N 494.079 5.827 30 20 JKED C=CC[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCC2CCC2)CC1)NC(=O)OC(C)(C)C 1824354895 QLXSGEFJFCYQGG-BJKOFHAPSA-N 489.701 5.046 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 1824500830 DOCTXEXFUZYDSY-DSNGMDLFSA-N 473.057 5.046 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1824508172 BAMMFRXVCYGNSB-HXOBKFHXSA-N 491.554 5.011 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 1825951358 KSGGFGAVOSJQIN-DEOSSOPVSA-N 479.596 5.443 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827327351 DXUMSWWJPQQKBB-MUUNZHRXSA-N 489.660 5.273 30 20 JKED O=C(/C=C/C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2Cl)CC1)c1cccs1 1827680442 ZFINJTBRMZSGSS-NEQMZLFVSA-N 485.049 5.003 30 20 JKED N#Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc4ccccc34)CC2)cc1 1828005936 IWHYORXJBAYGHV-NDEPHWFRSA-N 465.597 5.187 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1 1828508459 IAOWYXMJSKLMQH-SBUREZEXSA-N 491.554 5.011 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccc(F)cc2F)CC1 1828820967 HQZCBTLAQDBSFV-FYYLOGMGSA-N 476.633 5.445 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2ccc3c(F)cccc32)CC1 1828824465 LLCJIHJVKZJGJV-RDGATRHJSA-N 465.613 5.169 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 1828829511 INOAKFQGCFYEHM-SVBPBHIXSA-N 464.650 5.477 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/Sc2ccc(C)cc2)CC1 1828879323 HXABUEFOZLIDLM-SWAXBTAQSA-N 471.667 5.021 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCc2ccncc2)CC1)c1ccccc1 1829030498 PJWRNIOCENSLOC-FQLXRVMXSA-N 485.672 5.221 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(ccc5ncccc54)s3)CC2)c1 1829576886 KIKLOVYFNDRFLA-XMMPIXPASA-N 497.624 5.196 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc4cccnc34)CC2)c1Cl 1829690379 ZFGUAORTAQRSLV-XMMPIXPASA-N 487.003 5.307 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)c1 1829943710 YDJGEPGFZUVMMY-CLOONOSVSA-N 497.561 5.880 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(N3CCCCC3)cc2)CC1)C(F)(F)F 1830591494 WPGXWXQFIOZIFD-QHCPKHFHSA-N 477.571 5.029 30 20 JKED Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)cc1 1830607726 HJJGDTUFLOVVCI-SANMLTNESA-N 472.633 5.021 30 20 JKED Cc1cccc2[nH]c(C(=O)N3CCC([C@@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)cc12 1830628098 DUYHGJYWMXFUKI-MHZLTWQESA-N 468.601 5.090 30 20 JKED COc1ccc([C@@H](C)C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1830720953 PADVPIIEGNPEPZ-BCHFMIIMSA-N 494.035 5.257 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1831238560 YNABWEMURAAWMQ-GCJKJVERSA-N 450.545 5.091 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCOc2ccc(Br)cc2)CC1 1831367908 VANMBWRUJFOWKH-AUSIDOKSSA-N 491.470 5.050 30 20 JKED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699870 PHJFTJRDEPAQHQ-MHZLTWQESA-N 488.628 5.096 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)CC2)CCC1 1832782801 IGAIUQINONWKFG-AREMUKBSSA-N 495.627 5.157 30 20 JKED C=C(C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1)C(F)(F)F 1832962528 RFTLHRDZPWJILO-ISGGHPHESA-N 473.539 5.228 30 20 JKED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(Cl)c(C)c3Cl)CC2)CC1 1838757164 SSAMTBLEZDGJDZ-UHFFFAOYSA-N 489.390 5.125 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc([C@H](F)c2cccc(F)c2)c1 1847531414 JHOZDGLVTRUILM-GSDHBNRESA-N 464.556 5.468 30 20 JKED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1847807499 ICKPALOAOXWOQQ-ZEQRLZLVSA-N 492.582 5.551 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2ccc(C(C)(C)C)cc2)c1 10179786 WEKFTFPNRJXBPL-UHFFFAOYSA-O 475.634 5.711 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(C(C)(C)C)cc2)c(C)n1C 10826796 LXUCABXNGAWZRN-UHFFFAOYSA-O 455.047 5.931 30 20 JKED CC(C)n1ncc2c(C(=O)OCC(=O)Nc3ccccc3SCC#N)cc(-c3cccs3)nc21 11051229 VWAIQYDDALDGJC-UHFFFAOYSA-N 491.598 5.152 30 20 JKED COc1ccccc1NC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@@H]1c1cccc(C#N)c1 11208678 FWGBTPXTQRFWIZ-AREMUKBSSA-N 482.609 5.532 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2scc(-c3cccs3)c2c1=O 15151890 SYMHCOVROGTWNG-AWEZNQCLSA-N 483.640 5.500 30 20 JKED C=CCNC(=O)[C@@H](C)SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 16749147 REYJWADXHOMWJB-FDIDITGRSA-N 478.376 5.300 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1 16823217 ZBTAKGGFQUWCSN-OAHLLOKOSA-N 457.397 5.321 30 20 JKED C=CCn1c(SCC(=O)NCc2cccs2)nc2sc(-c3ccccc3)c(C)c2c1=O 17131728 PBVZWPVFQGYCTB-UHFFFAOYSA-N 467.641 5.089 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 17187270 QRDMNRPLVZBHIX-UHFFFAOYSA-N 487.126 5.660 30 20 JKED Cc1nc(-c2cccs2)sc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 17343379 VMSYJQHYENXJPD-UHFFFAOYSA-N 455.615 5.448 30 20 JKED C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 21723400 JMSHHYFTUBCMAZ-GOSISDBHSA-N 455.027 5.552 30 20 JKED CCCc1cc[n+](/C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)=C(/S)Nc2cc(C)ccc2C)cc1 22729863 DALLPQPSACTBMC-UHFFFAOYSA-O 492.665 5.716 30 20 JKED N#CCCCCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 24885932 GEFXESSSRIHQCO-UHFFFAOYSA-N 482.989 5.586 30 20 JKED Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2cc3ccccc3cc2c1=O 24969809 AYWOJKDRYZUSHN-UHFFFAOYSA-N 474.611 5.020 30 20 JKED Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(/C(O)=N/c3nnc(C(F)(F)F)s3)c2)cc1C 31564944 RXWOLDBQDOZPHI-UHFFFAOYSA-N 490.916 5.264 30 20 JKED CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 69627200 BNLDAEYSJMKEAM-QHCPKHFHSA-N 482.005 5.278 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)cc1Cl 72098121 HLDQOZJLEMDCPP-MJGOQNOKSA-N 465.859 5.097 30 20 JKED N#Cc1cc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)ccc1OCC(F)(F)F 107572334 WXSXTSFJMFFVND-UHFFFAOYSA-N 479.867 5.719 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccccn3)C2=O)c1 255847044 RMTBFJIUCWJVOW-XMMPIXPASA-N 472.614 5.476 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 303331869 JSNNQYUECIGQQI-IBGZPJMESA-N 493.592 6.386 30 20 JKED C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1nc(-c2ccccc2)cs1 410305259 UYSXQJKERIPCDH-INIZCTEOSA-N 473.558 5.024 30 20 JKED Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1S(=O)(=O)Nc1ccccc1 480501064 UWEPWCQVADMWMU-UHFFFAOYSA-N 467.550 5.587 30 20 JKED Cc1nc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nn1-c1c(Cl)cccc1Cl 481807693 PKZRPNRFWYIIAE-AWEZNQCLSA-N 454.342 5.496 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCN(CCc4ccccc4)C3)c2)cc1 491551467 SQNGPFBAPWXELY-SANMLTNESA-N 468.601 5.018 30 20 JKED CCCc1nc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)nn1-c1ccccc1Cl 501317662 XDMMFGBBXXZYOE-QGZVFWFLSA-N 477.977 5.495 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)c1 501716379 RJBGQFZRIODWEQ-UHFFFAOYSA-N 477.486 5.735 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccc(Br)cc4)s3)CC2)c1 501748194 DDKUZUIVXMDACB-UHFFFAOYSA-N 494.414 5.540 30 20 JKED C[C@@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(F)cc1 502024067 PHYKUKIBTZXUNW-LBPRGKRZSA-N 459.365 5.583 30 20 JKED CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 502089262 PXQFNUROJLLLPC-KOSHJBKYSA-N 474.992 5.845 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3Oc3ccccc3Cl)CC2)c1 502663654 XGOOJINNMNOUID-UHFFFAOYSA-N 474.948 5.887 30 20 JKED CC(C)Oc1ccc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cs2)cc1 502762034 YNDGDXUUNUHOQA-MRXNPFEDSA-N 452.486 5.832 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(CN3CCSCC3)cc2)cc1 508974072 AJEVRRAGGAFNDQ-UHFFFAOYSA-N 457.599 5.133 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 515171664 INUSXERXSVAVHM-UHFFFAOYSA-N 454.555 5.976 30 20 JKED CCN(C[C@H](C)C#N)C(=O)CSc1nnc(-c2cccs2)n1[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 515430140 RABWAVBOYFJPIM-HVMFNXBNSA-N 457.669 5.104 30 20 JKED COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 515442032 BOQDDSFVKMCKTN-KRWDZBQOSA-N 469.969 5.033 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2)c1 515449212 KZUJOQWBUSTYEX-UHFFFAOYSA-N 493.489 5.079 30 20 JKED C=CCn1c(Sc2cc(C)nc3nc(C(F)(F)F)nn23)nnc1-c1ccc(C(C)(C)C)cc1 515540800 FLQMROCCBQOQME-UHFFFAOYSA-N 473.528 5.345 30 20 JKED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 516695142 ZNTPITJPFWJTPE-QHCPKHFHSA-N 453.011 5.136 30 20 JKED C[C@H](Nc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-])c1ccccn1 516710797 TYHGQOJGIPCKPX-HOCLYGCPSA-N 476.443 5.398 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(-c2cccnc2)no1 517890301 KMXOZAIVFOZXIU-JOCHJYFZSA-N 454.490 5.314 30 20 JKED N#Cc1cn(CC(=O)c2ccc(OCc3ccccc3)cc2)c2ccc(Br)cc2c1=O 518600755 TVSSCQDYHVECJU-UHFFFAOYSA-N 473.326 5.098 30 20 JKED C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccccc1SC[C@H](C)C#N)OCCO3 518681640 CSCGPXYHEYKXKO-MOPGFXCFSA-N 477.630 6.130 30 20 JKED Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccccc1SC[C@H](C)C#N 519449224 ZNWUSZHCBFQPBB-CQSZACIVSA-N 475.412 5.112 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 521719012 ATHLNIDDKMXGNJ-CYBMUJFWSA-N 488.436 5.217 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1-c1ccccc1C 521727546 WVJPBGZJCKVCSR-MRXNPFEDSA-N 451.621 5.256 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 523236909 JOEUVRHKDVCMLR-UHFFFAOYSA-N 461.521 5.615 30 20 JKED COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 524438153 RKHJIKJTYUXMET-NRFANRHFSA-N 490.991 5.447 30 20 JKED COc1ccc(-n2c(SCCC(=O)Nc3ccccc3C#N)nnc2-c2ccc(Cl)cc2)cc1 589942375 XEKWXAJWMYFKAY-UHFFFAOYSA-N 489.988 5.589 30 20 JKED Cc1sc2ncn(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)c(=O)c2c1C 603758839 KOHGWZYYKHJQJP-HXUWFJFHSA-N 476.989 5.413 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)cn2)cc1 603765790 ZFAJEDPXMFDFSQ-UHFFFAOYSA-N 481.961 5.124 30 20 JKED CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 603838345 HEJONFIMNWCWRK-CQSZACIVSA-N 462.314 5.914 30 20 JKED COc1cc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc(OC)c1OC 604027183 MDLJYCXUBAVYLE-UHFFFAOYSA-N 466.921 5.601 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1Cl 604162772 UOHLFOOUKUQKQS-HSZRJFAPSA-N 461.924 5.264 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cnc(-c3ccccc3Cl)s2)cc1 604517493 GBAMIJQWMHLMNA-UHFFFAOYSA-N 459.958 6.361 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 608795630 ARINMRQEAMJWKV-HNNXBMFYSA-N 483.446 5.194 30 20 JKED COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 608849985 CCCRJHJNCLMAEI-UHFFFAOYSA-N 489.915 5.472 30 20 JKED CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)Nc3sc(C)c(CC)c3C#N)c2)cc1 609033125 QZMWTSUZWKXDLH-UHFFFAOYSA-N 497.642 5.275 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccccc1SCc1c(C)noc1C 609072200 DLUZADGTZOVQBY-UHFFFAOYSA-N 483.593 6.595 30 20 JKED CC(C)c1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1-c1ccccn1 609105251 WKMZUZVLUSVHJS-UHFFFAOYSA-N 455.493 5.233 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)c2)cc1 609141824 MYHKOENOTAYQEN-UHFFFAOYSA-N 450.498 5.420 30 20 JKED Cc1cccc(COc2ccc([C@@H](C)NC(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)c1 609439765 WZADPTWPVPYBAX-NHCUHLMSSA-N 487.625 5.784 30 20 JKED N#C[C@H](C(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 612941643 JMYPJXWVHSATGK-HXUWFJFHSA-N 489.984 5.998 30 20 JKED CCCCCn1nc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc2c1=O 613404982 SAENFVUBHCLNRQ-QGZVFWFLSA-N 484.503 5.705 30 20 JKED CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1 613407498 VMRGDSPNSKHHBA-IBGZPJMESA-N 488.034 5.393 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726406360 JPCTVJIGJZPKCX-FQEVSTJZSA-N 454.983 5.199 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(OC(C)C)cc1 726414945 GLKPUCWEMFECQO-FQEVSTJZSA-N 493.551 5.863 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N/[C@@H](C)c1cccs1 726420897 JTQKPEZNOHLRBA-HQCDIWLZSA-N 469.554 5.567 30 20 JKED COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1NC(C)=O 726429463 UHBBLPPJDCENRN-UVTDQMKNSA-N 482.496 5.311 30 20 JKED C=CCOc1ccccc1CN(C(=S)N[C@@H](C)c1cccs1)c1ccc2c(c1)OCO2 726442824 CRIMNARGNNXJRY-KRWDZBQOSA-N 452.601 5.684 30 20 JKED C=CCOc1ccccc1CN(C(=S)Nc1cc(OC)ccc1OC)c1ccc2c(c1)OCO2 726445306 SEASDWGAVVXVFP-UHFFFAOYSA-N 478.570 5.401 30 20 JKED C=CCN(C(=O)COC(=O)c1csc(C(C)C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 726688671 AKMBJFYNMSQPHI-UHFFFAOYSA-N 496.441 6.073 30 20 JKED Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 727058561 RRYRFNRRUNXJBQ-UHFFFAOYSA-N 479.993 5.140 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 727589476 VGSBVJQWSFKUEA-QPPBQGQZSA-N 466.368 6.254 30 20 JKED N#CCOc1ccccc1C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 727999091 KIBBUPFYYHNRNQ-UHFFFAOYSA-N 450.420 5.258 30 20 JKED N#C[C@@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1nc2ccccc2o1 728147569 IYULATJFVQHZDO-QFIPXVFZSA-N 453.929 6.293 30 20 JKED C#Cc1cccc(N(CC)C(=O)c2ccc(NC(=O)c3ccccc3I)cc2)c1 728479401 QJUMPERAUMRHDD-UHFFFAOYSA-N 494.332 5.192 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3ncccc3C)C2=O)c1 729634704 RHSUDPRMNMXAEW-QHCPKHFHSA-N 492.576 5.007 30 20 JKED N#C[C@@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 729889366 OHRTXAKTPBFDKE-NRFANRHFSA-N 489.362 5.736 30 20 JKED COCCOc1ccc([C@@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)cc1 730512163 FDMFYKKRDRUDNQ-DEOSSOPVSA-N 480.561 5.179 30 20 JKED O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730720640 SQLJVXCIVOUEKT-JOCHJYFZSA-N 490.972 5.642 30 20 JKED Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)ccc12 730994592 KGNRVYBSGVMQOA-UHFFFAOYSA-N 462.449 5.144 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H](c1ccccc1)N1CCOC1=O 730994601 KJOVDQJYXCVOQF-SFHVURJKSA-N 463.481 5.233 30 20 JKED Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1SC[C@@H](C)C#N 731060513 WYKZNJUWWUNAEM-ZDUSSCGKSA-N 487.940 5.490 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)COc1ccc(Cl)c2ccccc12 731063571 PJRBZAFIMMVJTJ-INIZCTEOSA-N 468.962 5.448 30 20 JKED Cc1ccc(O[C@@H](C)C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(Br)c1 731073384 VXBXPDFFDBNHJB-HOTGVXAUSA-N 491.407 5.101 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)cc2Cl)cc1 731105019 BYFZZGXMYRVXAI-RUZDIDTESA-N 479.939 6.121 30 20 JKED Cc1cc(/C=C2\CN(Cc3ccccn3)C/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc(C)c1O 747317346 QXRUDAKXAIGDJD-GUJRAXHGSA-N 454.570 5.278 30 20 JKED COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCCCC#N 747473120 RYIWFLCEVPVQFM-UNOMPAQXSA-N 478.517 5.802 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cscn2)c(C)c1 747600247 ONZZYDRVPQOADO-QFIPXVFZSA-N 478.643 5.537 30 20 JKED CCOCc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)ccc1OC 747608064 UOOZUGFFOVFKFJ-UHFFFAOYSA-N 467.978 5.514 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1Cl 750395749 REMOHVQHPPJNRF-IBGZPJMESA-N 455.297 5.755 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](c2ccccc2Br)C1 750703368 RNAGIOSKZSTILR-DEOSSOPVSA-N 492.373 6.027 30 20 JKED CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C\C(=O)c2ccc(C)o2)c(Br)s1 797195234 LQNPGMKRYLRWBZ-FPLPWBNLSA-N 499.308 6.407 30 20 JKED Cc1cc(N(CCC#N)C(=O)COC(=O)c2ccccc2SCc2c(C)noc2C)ccc1Cl 800583923 XWCUOKKYGZGPQE-UHFFFAOYSA-N 498.004 5.649 30 20 JKED CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2sc(C)c(C)c2C#N)c(Cl)cc1Cl 821759851 RHWDWICVCPURMM-SNVBAGLBSA-N 474.435 5.263 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c(C)c1 837423815 YXJYRWHKRZMSRD-WMZHIEFXSA-N 458.587 5.420 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 837532047 KATHEZLBYNECHE-YWZLYKJASA-N 499.423 6.110 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C1CCN(C2CC2)CC1 838191650 IBLBFMZPBRJJRX-RUZDIDTESA-N 490.673 5.145 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3ccccn3)C2=O)c1 838239615 UOBCMJDXSRUKJV-SBUREZEXSA-N 492.576 5.259 30 20 JKED CCN(C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 914509215 GQZGDHZELIBCAR-ATEOEAFZSA-N 459.546 5.374 30 20 JKED C[C@@H](Cc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1F 914691555 QJXYWNSBVYODJS-QKKBWIMNSA-N 487.503 5.288 30 20 JKED N#C[C@H](C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 915098865 FEYDOLWWDNNRIX-OAQYLSRUSA-N 479.521 5.476 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2ccccn2)C1=O)Nc1ccc(F)cc1 916204878 JPOPKGKETSVABC-FQEVSTJZSA-N 486.931 5.174 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccco2)C1=O 916206058 VKNSNGMBQQPYSI-QFIPXVFZSA-N 463.559 5.229 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2CCCOC)cc1 916215923 ZNBJNESTCCCPGT-DEOSSOPVSA-N 491.613 5.235 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)c(C)c1 916216508 VUPMGCOLZVUIMA-IBGZPJMESA-N 463.525 5.693 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C[C@H]1CCCO1 916216853 ZZSKYXLCRVGBAA-YKSBVNFPSA-N 473.598 5.288 30 20 JKED N#C[C@H](C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl 916927034 CYDPRGKCAVVHCD-GFCCVEGCSA-N 489.237 5.070 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc1 916948259 FMPYKKLBNZORJO-SZNDQCEHSA-N 466.379 5.642 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 916955309 OQELZEMPDCHLBW-QRWLVFNGSA-N 450.926 5.184 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c1 917668442 YTQRQILQXOEXNY-XPWALMASSA-N 497.064 5.236 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C2CCN(C(C)(C)C)CC2)c1 917668572 BYGOMWOBFUWPKZ-HSZRJFAPSA-N 496.652 5.357 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2ccsc2)C1=O 917670098 LACCRMVJJXCWKB-JOCHJYFZSA-N 479.627 5.534 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)c(C)c1 917674593 RBSOWVIPSLPTBD-QHCPKHFHSA-N 458.587 5.167 30 20 JKED C[C@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 917704872 YTXMHSFNAMJIHN-HXOBKFHXSA-N 490.560 5.272 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1 917806109 SYQKLPXYSRDXLV-UHFFFAOYSA-N 483.568 5.319 30 20 JKED CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 918068841 CXEZRGIGWHTZOR-UHFFFAOYSA-N 470.957 5.525 30 20 JKED COc1ccc(/C=C2/N=C(SCCOc3ccccc3C#N)N(c3cccc(OC)c3)C2=O)cc1 918715818 YGVGNEVXGNCKDF-LFVJCYFKSA-N 485.565 5.131 30 20 JKED COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 919667120 QEVLRPYHGWFLJW-SFHVURJKSA-N 479.876 5.319 30 20 JKED COc1ccc(C2(CNC(=O)C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)CCCCC2)cc1 920322065 WTNICWVONLDQFR-HHHXNRCGSA-N 481.596 5.307 30 20 JKED COc1ccc(OCc2nc(C=Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)cs2)cc1 920364213 RSZCAEZWNQGRPC-UHFFFAOYSA-N 488.594 5.360 30 20 JKED Cc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)[n+]2cc(O)ccc2C)cc1F 920485468 RUWRYGQYMNBXLQ-UHFFFAOYSA-O 494.612 5.555 30 20 JKED CC(C)Oc1cc(Br)ccc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 920670406 XISJRGKRXPHLED-UHFFFAOYSA-N 469.335 5.144 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(C)C)c1 920871462 TUPMDILWNYAWPH-MBSDFSHPSA-N 483.634 5.061 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCOc2ccccc2-c2ccccc2)cc1 921128326 BOVUMFGFKRTWEO-HHHXNRCGSA-N 475.548 5.143 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@@H]4c4ccc(F)cc4)cc3)CCC2)c1 1786031499 MVIFJFOOJDNKAK-CLJLJLNGSA-N 483.543 5.257 30 20 JKED O=C(C#Cc1ccc(Cl)cc1)Nc1ccc(C2(NC(=O)c3cnoc3C3CC3)CCC2)cc1 1786042174 CRHFFWKQIMQTMW-UHFFFAOYSA-N 459.933 5.005 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C[C@@H]3COc4ccccc4O3)CCC2)cc1 1786102411 NAQCCBSGVWQWBQ-HSZRJFAPSA-N 460.574 5.119 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(C)cc3)cc2)CCC1 1786308752 RGORDRREYUWCBF-DEOSSOPVSA-N 477.605 5.271 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CCC2)cc1 1786374183 JPDCGJICGGRINV-OAHLLOKOSA-N 464.459 5.183 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ncc(F)cc4F)cc3)CCC2)c1 1786536590 FZHBSKHNVRYLCV-MRXNPFEDSA-N 460.484 5.048 30 20 JKED C[C@@H](Nc1cccnc1)C(=O)Nc1ccc(C2(NC(=O)CCCC#C[Si](C)(C)C)CCC2)cc1 1788032860 AEIWWSONICIVMT-OAQYLSRUSA-N 476.697 5.067 30 20 JKED N#Cc1ccc2[nH]nc(C(=O)NC3(c4ccc(NC(=O)c5ccc6ncccc6c5)cc4)CCC3)c2c1 1788908301 RQPJXOYSGOYGQX-UHFFFAOYSA-N 486.535 5.044 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)C4(C(F)(F)F)CC4)cc3)CCC2)c1 1789198585 QETFEBNVPDLOKR-MRXNPFEDSA-N 455.480 5.404 30 20 JKED Cc1cc(C)cc(CCC(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)c1 1789578496 XQDLXGHMVFKUDN-RDRPBHBLSA-N 457.574 5.082 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CCCCC4(F)F)CCC3)cc2)c1 1790072470 AKDRSEVWYOZWHN-JOCHJYFZSA-N 467.516 5.140 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4cccnc4)cc3)CCC2)cc1 1790567282 JZGCIKATMKTHRG-HXUWFJFHSA-N 470.573 5.297 30 20 JKED N#Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccnc(F)c4)CCC3)cc2)cc(C(F)(F)F)c1 1790785282 AQRIFCHZIKOLFV-UHFFFAOYSA-N 482.437 5.173 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4Cc5ccccc5O4)CCC3)cc2)c1 1792123690 PEXUMQKXYMGHAS-BCHFMIIMSA-N 465.553 5.065 30 20 JKED CC(C)c1cc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@H](C)C#N)c4)cc3)CCC2)on1 1792125432 ZLZDMDSCAHEMTD-GOSISDBHSA-N 456.546 5.487 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCCCCCCCNC(=O)OC(C)(C)C 1793005045 MFZKBFVCRAHJDX-BXXSPATCSA-N 477.690 5.092 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2)c1ccc(Cl)cc1 1793222514 AHSMBMMURVPHRV-BEGWYFQMSA-N 478.036 5.659 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)[C@H](S)C(C)C)ccc21 1793612452 AMKULLRHZGKKPK-XZWCOCNFSA-N 463.647 5.021 30 20 JKED C=CC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c(C(F)(F)F)nc2sc3ccccc3n12 1796434616 QYHIGKVXPKXXBF-LVQVYYBASA-N 490.551 5.032 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccnc3ccc(Br)cc13)C2 1798340107 MUQWZCYOMOKWTD-IYWMVGAKSA-N 482.422 5.018 30 20 JKED Cc1ccc(-c2ccccc2C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(CC#N)cc2)C3)cc1 1800604960 MVLAYTGFDSNEAI-OOSCYNTBSA-N 463.581 5.294 30 20 JKED Cc1cc(Br)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc([C@@H](C)C#N)c2)C3)cc1F 1800842626 LPZWGINWPKAGHQ-QLIIJSOBSA-N 498.396 5.089 30 20 JKED Cc1cc(Cl)ccc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1 1802736622 WPEXCEDNYXUZRH-NTKDMRAZSA-N 493.394 5.202 30 20 JKED N#Cc1cccc(CCC(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)[C@H]2c2cccnc2)c1 1802957648 CUYUBEVTYPCUBZ-LGPHQWQMSA-N 498.671 5.198 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC3(CCN(C(=O)c4cc5sccc5s4)CC3)C2)cc1 1804759099 SBFZRJCARQBZDM-UHFFFAOYSA-N 477.655 5.312 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1cccnc1 1810494264 FVGVXIKBNDGARC-XUZZJYLKSA-N 487.566 5.341 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[C@H]1c1cccnc1 1811270688 DCJNPCLDNDPBCW-IXCJQBJRSA-N 498.671 5.801 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811722364 QTMKHHJSAAVVIC-JDBUMTGOSA-N 495.623 5.962 30 20 JKED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1812673432 UIYPUVSXHLZVTQ-SIKLNZKXSA-N 469.557 5.136 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c1 1812994120 VOSBJPSTXYEXHC-AEAGWUPHSA-N 492.623 5.150 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@H](CNC(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)[nH]c12 1813866198 NINMHHBXAMSWTA-VGTADKHUSA-N 491.595 5.132 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@@H](C)C#N)c2)[nH]n1 1814413871 MGPVUCISDCGCCO-GPVLSUBRSA-N 473.602 5.508 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccc(C)cc2)[nH]n1 1814828514 CZWLFJIPMMOOOC-JOCHJYFZSA-N 452.624 5.271 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)c1ccc(Cl)cc1 1814938494 RGTAQFOGSPNOSP-XPRZIIGNSA-N 496.011 5.207 30 20 JKED Cc1ccc(-c2cc(C(=O)Nc3cc([C@H]4CCCCN4C(=O)c4cc(C#N)ccc4F)[nH]n3)c[nH]2)cc1 1816101770 NXZBBLMNWUAIEK-RUZDIDTESA-N 496.546 5.344 30 20 JKED C#CCCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)sc2C1 1816933258 LSDJJPAILUSALX-OAHLLOKOSA-N 469.010 5.006 30 20 JKED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[nH]n1 1817123621 MMTVHTYAUHZJSL-DHLKQENFSA-N 477.515 5.217 30 20 JKED N#Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(Cl)o3)n[nH]2)cc(C(F)(F)F)c1 1818427890 ZWZZHIJAONNQNT-MRXNPFEDSA-N 491.857 5.166 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3sc(C)nc3c2)[nH]n1 1819305619 MBJZBFSQZCDUAU-GHTZIAJQSA-N 463.607 5.402 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1819363693 JIUBGKOVUNVDMG-KNQAVFIVSA-N 496.995 5.202 30 20 JKED CC#CC[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(F)cnc2Cl)[nH]n1)c1ccccc1 1819518961 JLOSYFFRKHNTQD-DENIHFKCSA-N 493.970 5.100 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C(F)(F)F)c[nH]2)[nH]n1)c1ccccc1 1819519731 YUPVBANIFLWKDS-SIKLNZKXSA-N 497.521 5.260 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)[nH]n1 1819552983 LZSQXQRLQYHOGQ-ZCYQVOJMSA-N 491.680 5.306 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](c3ccccc3)C(C)C)[nH]n2)c1 1820206755 ZPUIWUJENQMKJN-AOYPEHQESA-N 485.588 5.036 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(Cl)c2OCc2ccccc2)n[nH]1 1820237883 SGVAHDGQSSNFCE-JOCHJYFZSA-N 491.979 5.252 30 20 JKED Cc1ccc(S/C=C/C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 1820549045 FOLLKJZJCTVRMA-JLQMKUNGSA-N 471.586 5.202 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCCCCCC(=O)OC(C)(C)C)n[nH]1 1820962417 FQBSHZPPHBKZCB-TZIWHRDSSA-N 474.646 5.296 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1821125973 CFYMGMGUDAWKBA-QGZVFWFLSA-N 486.947 5.307 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)CCCCC)n[nH]1 1822002620 TUNOWBKFFRTWKW-SVFBPWRDSA-N 489.661 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccccc3OC(F)F)n[nH]2)c1 1823265871 KYVIICUWIYOEOV-IIBYNOLFSA-N 493.514 5.258 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occc4c3)[nH]n2)cc1C#N 1823291091 UOWBKXZEOJYDEL-HSZRJFAPSA-N 497.555 5.434 30 20 JKED C=CC[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1)NC(=O)OC(C)(C)C 1823347794 GEVUELRECHCFDH-ONTIZHBOSA-N 499.656 5.008 30 20 JKED COc1c(C)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3ccc(C#N)cc3)CC2)cc1C 1823685436 XGCDRRKJRQBFAQ-HHHXNRCGSA-N 487.644 5.050 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC(F)(F)C2)CC1)c1ccccc1 1823694718 ZGELBZTUOMBBHH-DSITVLBTSA-N 470.604 5.239 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CC2)C1 1823702168 WIGUQLRDZKLORL-OZXSUGGESA-N 494.079 5.827 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CC1 1823754824 DFBGVRDVEKNKBM-DHIUTWEWSA-N 491.717 5.292 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2sc(Br)nc2C)CC1 1824142338 ORTPIEHCBPULAJ-LJQANCHMSA-N 494.499 5.216 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 1824448922 OSKHVTAUUMWOSS-RAVGUYNFSA-N 464.650 5.187 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)/C=C/c3ccsc3)CC2)c(Cl)c1 1825302734 NTAKSZBVDPDYRJ-NKOINVLESA-N 468.022 5.220 30 20 JKED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(-c3ccccc3)n3ccccc13)CC2 1826039987 HCFZFQKGIOELNY-HXUWFJFHSA-N 482.609 5.092 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4ccc(Cl)cc4)no3)CC2)C1 1827345797 NKGSUDCYLDVZBB-HSZRJFAPSA-N 467.997 5.195 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(Br)cc4cc[nH]c34)CC2)C1 1828168806 AHNQUVLVMYNJRQ-JOCHJYFZSA-N 484.438 5.130 30 20 JKED Cc1ccc(SCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1828344426 LBUDEPXONKBBPX-RUZDIDTESA-N 479.621 5.031 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3scnc3c2)CC1 1828672869 KWYHWYXMYUCXIZ-JTHBVZDNSA-N 451.636 5.298 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 1828823386 FXIOEESMJCUFAE-GHTZIAJQSA-N 464.437 5.390 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 1828825681 XJRKUGMWFSETFT-HYBUGGRVSA-N 461.021 5.410 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 1828828607 NJHOYELTONAICN-VPUSJEBWSA-N 459.634 5.545 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2[C@H]3Sc4ccccc4[C@@H]32)CC1 1829068969 BAIGJKSUGACLRQ-VGCGRUFVSA-N 466.691 5.486 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(C#N)cc3)CC2)s1 1830017083 SZPMECNYOHNXLK-HSZRJFAPSA-N 478.662 5.295 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)c(OCC)c(Cl)c2)CC1)C(F)(F)F 1830663341 JANBHNOZWWGPBZ-IBGZPJMESA-N 490.925 5.230 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C)cc(C#N)c3)CC2)c1 1830770711 GWZMNQAJEIDXRF-RUZDIDTESA-N 480.008 5.076 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc4ccoc4c3)CC2)cc1C#N 1830910456 JPHHAJPYNGPMEQ-SANMLTNESA-N 499.611 5.639 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccccc2N2CCCCC2)CC1 1831373132 BBJPERGHLCTXKA-DHLKQENFSA-N 451.655 5.122 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccsc2)CC1)c1ccc(O)cc1 1831926114 XTTHBWBMGTURDW-VPUSJEBWSA-N 492.685 5.203 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccnc3C(C)(C)C)CC2)c1 1832630045 FDPXYXASBAXYLA-RLWLMLJZSA-N 486.660 5.553 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)c12 1832633744 LWXGTPPHWUINDI-FQRUVTKNSA-N 498.627 5.351 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)cc2)CC1 1832699733 MSXRWOUJMIKREL-WXVAWEFUSA-N 475.633 5.388 30 20 JKED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)CCC1 1832785100 HAFULJNRLQRRDO-SANMLTNESA-N 471.601 5.406 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CC1 1835682820 BHVLWXSDLYNHQQ-SANMLTNESA-N 498.111 5.102 30 20 JKED O=C(/C(=C(\S)Nc1ccccc1Cl)[n+]1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1 10826016 NQWYKIOMPJCFJH-UHFFFAOYSA-O 492.451 6.923 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)Nc1cccc2ccccc12 11125256 OOHVZFGVZXMTNQ-UHFFFAOYSA-O 480.440 7.047 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nc2sc3c(c2c1=O)CCC3 11150757 JCPRGTQMHZYXCE-JOCHJYFZSA-N 493.679 5.192 30 20 JKED N#CC1(NC(=O)COC(=O)c2c(-c3ccccc3)csc2NC(=O)c2cccs2)CCCCC1 11182370 CQXHLOCPIQHBJV-UHFFFAOYSA-N 493.610 5.228 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccc(Br)cc1 15351663 OEUDYIAKTNDHTR-HNNXBMFYSA-N 487.423 5.405 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@@H]1COc2ccccc2O1 21088550 XLMIBOSNVUQKGU-SFHVURJKSA-N 477.373 5.014 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 21603153 UUYUDGQERUEKPE-HNNXBMFYSA-N 490.988 5.272 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 24906578 NZCIFVNUQIKBNX-UHFFFAOYSA-N 450.523 5.609 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)nnc1-c1cccc(C)c1 24967516 HXPYSUKFWPHPFN-UHFFFAOYSA-N 489.670 6.490 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccccc2C(F)(F)F)C(C)C)nnc1-c1ccco1 32330523 YQLRJHPHMAAHOQ-KRWDZBQOSA-N 450.486 5.498 30 20 JKED C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 32503597 GTBWPSGYPDJUPP-UHFFFAOYSA-N 478.998 5.099 30 20 JKED CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 33001993 QEMFENWPRPHPLR-AWEZNQCLSA-N 457.324 5.064 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 102050406 OZNBINYLXXYTLX-QQJMWMMISA-N 471.557 5.304 30 20 JKED Cc1ccccc1OCc1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1-c1ccccc1 255940644 CXMOCSIOGBYOFG-UHFFFAOYSA-N 489.988 5.411 30 20 JKED C=CCN(C(=O)CCCc1nc(O)c2ccccc2n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 302630132 CIZSXHBTKULUPB-UHFFFAOYSA-N 499.423 6.308 30 20 JKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 480127892 QNHFMNIJNNTXKP-UHFFFAOYSA-N 476.964 5.760 30 20 JKED N#Cc1cc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)ccc1OCC(F)(F)F 481880789 XGKQMJPPFVGDGL-UHFFFAOYSA-N 472.320 5.095 30 20 JKED CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482331739 IJLCTHMQYMZXGU-UHFFFAOYSA-N 467.447 5.259 30 20 JKED Cc1ccccc1N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1nc2ccccc2s1 498292517 MZYRHZWYDIDWAP-UHFFFAOYSA-N 475.595 5.661 30 20 JKED O=C(Nc1ccc(F)cc1)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502939844 NKHPASAPGAIJIJ-UHFFFAOYSA-N 452.717 5.350 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 505686151 LJENYAGQUPSCFN-MHZLTWQESA-N 477.520 5.469 30 20 JKED CCc1cccc2c1OCC[C@H]2NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 506999583 DSIGAXFESFKGOL-HSZRJFAPSA-N 471.582 5.105 30 20 JKED COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1cc(C#N)ccc1OC(C)C)CC2 507787500 GCFVFYOZQBGTTN-VWLOTQADSA-N 477.586 5.604 30 20 JKED CCC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1nnc2ccccn12 508289234 ODQDJJAASFSMPR-HXUWFJFHSA-N 456.506 5.065 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(F)ccc2I)cc1 508981911 UFDPYHWUYAXTLE-UHFFFAOYSA-N 486.284 5.328 30 20 JKED COc1cc([C@@H](C)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OCc1ccncc1 509654855 RIIVTJDUMDCAKK-GOSISDBHSA-N 499.596 5.471 30 20 JKED COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2)c1C 509670908 AYYBIHUCWCBIRO-UHFFFAOYSA-N 494.551 5.511 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 510224794 AOUCNTJGMGIJPD-UHFFFAOYSA-N 490.368 5.317 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc4c(c3)nc(O)n4C3CCCC3)c2)cc1 512234889 PAIRFVDASZIHPS-UHFFFAOYSA-N 466.541 5.754 30 20 JKED CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)ccc1OCc1cccnc1 512529853 COYXHQLCHMZURM-UHFFFAOYSA-N 495.535 5.984 30 20 JKED COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 516114111 DJFGMIAHTVYUPN-UHFFFAOYSA-N 484.581 5.257 30 20 JKED C[C@@H](Nc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-])c1ccccn1 516714133 QRYOWIJRUKLPOJ-CJNGLKHVSA-N 477.933 5.916 30 20 JKED N#CCCSc1ccccc1NC(=O)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 518673174 RACRMPQYITZBJO-UHFFFAOYSA-N 485.034 5.300 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1nc(-c2c(F)cccc2F)cs1 518872872 FEPADJCVGQIYTR-QGZVFWFLSA-N 489.482 5.694 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 519423726 BWFDDUJPEOAXSF-MRXNPFEDSA-N 486.018 5.645 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 521818260 VGBCRTMPZIYULU-UHFFFAOYSA-N 455.584 5.531 30 20 JKED CCOCCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 522121932 SVLWXQQQSQSTLZ-UHFFFAOYSA-N 475.492 5.292 30 20 JKED C=CCc1cc(CNC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC 523303702 OHCXLFMYWHIHDE-UHFFFAOYSA-N 474.583 5.037 30 20 JKED C=CCN(C(=O)c1ccc2c(c1)nnn2C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 524039010 WCDUYWFGLFDIEC-UHFFFAOYSA-N 451.555 5.592 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 603637924 MMROKWGPGROMQA-UHFFFAOYSA-N 460.555 5.106 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)cn2)cc1 603764898 QBQNCDMZSILLJL-UHFFFAOYSA-N 451.511 5.303 30 20 JKED CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604163351 VKAXZIDNIHQLGA-UHFFFAOYSA-N 482.540 5.431 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 604257500 GGAIRHCYTUVFSZ-GASCZTMLSA-N 458.427 5.912 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NCCc2c[nH]c3cc(Cl)ccc23)cc1 604487906 YZBXOWFMADHPAU-UHFFFAOYSA-N 458.949 5.831 30 20 JKED C=CCN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc(C(=O)OCC)cs1 604534092 RDNVWQUXVISIRT-UHFFFAOYSA-N 481.521 5.224 30 20 JKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 608864161 MAMRWIQZPVFMQP-UHFFFAOYSA-N 487.947 5.789 30 20 JKED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1cccc(C(F)(F)F)c1 608865879 ZIAVNQRXUYYROL-JOCHJYFZSA-N 496.489 5.606 30 20 JKED N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(OCc4cccc(C(F)(F)F)c4)cc3)CC2)nc1 609080452 DSLJKKRVXPVYIB-UHFFFAOYSA-N 495.505 5.342 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2Cl)c1 609085396 OXPFOCCPAMTVTC-OAQYLSRUSA-N 495.963 5.222 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2F)c1 609104450 XQSHXLRTEOSUQO-UHFFFAOYSA-N 498.411 5.872 30 20 JKED N#C[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(OCc2ccccc2)cc1 609172888 FRTJKRZQBXDZNQ-RUZDIDTESA-N 469.566 5.535 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)s2)cc1 609399232 OBQOLFUNMOJYGD-OAQYLSRUSA-N 474.615 5.942 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 609430242 FDKMABHMTPWQOW-MRXNPFEDSA-N 486.018 5.787 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)N4CCc5ccccc54)CC3)cc2)c1 609437017 KTFGRTOLSPPSGU-UHFFFAOYSA-N 466.541 5.184 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1Cl 613427028 MVNVHVRGBOIBDK-HNNXBMFYSA-N 477.417 5.778 30 20 JKED CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(OC)ccc1OC 726395120 JOCCGODJMYUTSV-FQEVSTJZSA-N 475.998 5.036 30 20 JKED Cc1[nH]c2ccc(CN3C(=O)[C@H](CC(=O)NC4CC4)S/C3=N\[C@@H](C)c3cccs3)cc2c1C 726415226 GBLZBNXBMSWWIU-QGPWZHNMSA-N 480.659 5.076 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1 726424973 SFFJPGXGBASVSV-UHFFFAOYSA-N 496.539 5.049 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(CC(C)C)cc2)[n+]2ccc(CCC)cc2)c1 726572551 AMYMXEPEIZUVQA-UHFFFAOYSA-O 455.647 6.430 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccccc2OC)[n+]2ccc(Cc3ccccc3)cc2)c1 726572784 OIMVMQUGKYMQAT-UHFFFAOYSA-O 477.609 5.878 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(Cc3ccccc3)cc2)c1 726574039 YRHMJSNXNYIZPL-UHFFFAOYSA-O 492.580 5.778 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)c1 726692193 SQGDPEYRJBFMGP-UHFFFAOYSA-N 466.493 5.117 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2ccc(C)s2)cc1Cl 726890071 HGKVLQLDVWHXSH-YJYMSZOUSA-N 478.039 5.080 30 20 JKED N#C[C@H](C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccccn1 728147832 PAECUIUIFNCYCX-JOCHJYFZSA-N 456.933 5.018 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)cc1Cl 728778067 BJTZOBOVHQGVKV-HXUWFJFHSA-N 489.428 5.325 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(Cl)c1 728778910 VOEKVHRTPFAEJM-LJQANCHMSA-N 458.946 5.133 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2scnc2C)c1 729144794 ZBGFRTXCXSCQMD-LJQANCHMSA-N 486.569 5.199 30 20 JKED Cc1ncsc1CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\[C@@H](C)c1cccs1 729146637 VFRAQZHKCRRFGT-UNARKCAUSA-N 470.645 5.103 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 729564562 DOWHLZNBPZKAKW-BWKNWUBXSA-N 490.604 5.994 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2C2CCC2)cc1F 730461017 JWSIPDNTSOQBFI-LJQANCHMSA-N 479.499 5.666 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cocn2)C1=O)Nc1cccc2ccccc12 730724174 LBTWXLLSQVNANA-JOCHJYFZSA-N 492.507 5.267 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N 730949449 VGPDLUPHCQSICR-INIZCTEOSA-N 480.663 5.081 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCOc2cccc(Cl)c2Cl)cc1Cl 743448831 CHZGSILHFFMDBS-ZDUSSCGKSA-N 455.725 5.162 30 20 JKED COc1cc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)ccc1OCC(=O)O 747154687 IXHNMYTWUBCSNL-MOSHPQCFSA-N 493.943 5.334 30 20 JKED COc1ccc(/C=C/C(=O)c2ccc(Br)cc2Br)cc1OCCCC#N 747361160 CZEUISYSWCPBRA-XBXARRHUSA-N 479.168 5.799 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cscn2)C1=O)Nc1ccc(F)cc1F 747602191 YNZOGUXKQHKGLY-GOSISDBHSA-N 492.960 5.235 30 20 JKED O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCOC2=O)cc1 748583606 HWXPNCWWMSVNJX-NYYWCZLTSA-N 481.335 6.098 30 20 JKED CON=Cc1ccc(C(=O)OCc2csc(N(C(C)=O)c3c(C)cc(C)cc3C)n2)cc1 770267916 BNVFRCXQSYJECU-UHFFFAOYSA-N 451.548 5.090 30 20 JKED COc1ccccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)Cc1cccs1 914690516 XYHNPLZYUYJBCB-WZONZLPQSA-N 493.654 5.026 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1 915087004 ZDGBYXCAYALHCZ-PZJWPPBQSA-N 474.358 5.096 30 20 JKED COc1cc2nc(/C(Cl)=C/c3cccc(OCc4cccc(C#N)c4)c3)nc(O)c2cc1OC 915983792 AFFXFTSIGKWLFN-NHDPSOOVSA-N 473.916 5.540 30 20 JKED N#Cc1cccc(COc2cccc(/C=C(/Cl)c3nc(O)c4ccc(C(=O)O)cc4n3)c2)c1 915984877 PLRKBMRREOIWPZ-SRZZPIQSSA-N 457.873 5.221 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccc2)C1=O 916208934 ANZDARWRPQBFFR-QFIPXVFZSA-N 479.989 5.509 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(C[C@H]3CCCO3)C2=O)c1 916210688 HALPPNNZDPWEOH-TZIWHRDSSA-N 472.010 5.096 30 20 JKED Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC(C)C 916215860 LNJRLMDTSGVMPM-LJQANCHMSA-N 463.525 5.630 30 20 JKED FC(F)(F)c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 916304999 JPBREDQBTFHBTA-UHFFFAOYSA-N 493.312 5.083 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2cccc(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 916344508 JLEJXHOWAYWOOQ-UHFFFAOYSA-N 495.948 5.265 30 20 JKED N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)CC1 916697232 NMMLQSPYDDBMJE-OAHLLOKOSA-N 479.408 5.337 30 20 JKED N#C[C@@H](C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc2ccccc2n1 916849067 OKHPATVMPUDXAB-GOSISDBHSA-N 468.435 5.255 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(SCc2ccccc2)cc1 916888622 XCVJXYFHAJNAHT-OAQYLSRUSA-N 468.550 6.255 30 20 JKED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 916932091 ZTUBKRFIZWCOMA-KRWDZBQOSA-N 478.961 5.078 30 20 JKED Cc1ccc(OCc2nc(CC(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 916945848 FZPKNOYOSUQNOD-LJQANCHMSA-N 474.369 5.227 30 20 JKED Cc1ccc(-n2cnnc2SCC(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)cc1Cl 917045357 YKLLUQZRNFWWAK-AWEZNQCLSA-N 474.398 5.461 30 20 JKED N#C[C@@H](C(=O)CCNC(=O)Nc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 917045895 CBTVQWQXLRIBSY-AWEZNQCLSA-N 477.771 5.100 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1nc2cc(C(F)(F)F)ccc2s1 917430735 RSDKCGNTGGYTLN-UKRRQHHQSA-N 490.482 5.575 30 20 JKED COc1ccc(-c2ccc(/C=C\C(=O)c3ccc(OCc4nccn4C)cc3)o2)c([N+](=O)[O-])c1 917517913 OKAUHIFNEVGBOO-FLIBITNWSA-N 459.458 5.072 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cs1 917560659 URCVJXBFLXQQAL-MDWZMJQESA-N 472.570 5.345 30 20 JKED CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1cccc(C)n1 917686282 ZQJZETKYJGJWSX-QHCPKHFHSA-N 476.577 5.252 30 20 JKED CN(Cc1csc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918545733 SLUSSKOIBMSZFU-WNAAXNPUSA-N 484.647 5.158 30 20 JKED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)c1 920108212 CHLXHIOUQVBWFZ-LJQANCHMSA-N 483.293 5.350 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)n2)cc1 920143910 LIZFCYLMNNQLLG-AUUYWEPGSA-N 486.380 5.355 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N([C@H]2CCc3c(Cl)cccc32)C1=O 920169363 SCOIKKANXJJLFO-FCHUYYIVSA-N 463.990 5.248 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(OCC(F)(F)F)cc1 920321448 KESBMAWEEPHJAG-SBUREZEXSA-N 481.474 5.099 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2ccc(F)c(F)c2)C1=O)NC1CC1 920351575 AZFJNBXFXHQXAM-SFHVURJKSA-N 484.355 5.072 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(F)c3)N(Cc3cc(C)on3)C2=O)c1 920355778 MRNKQYACSZWODQ-JOCHJYFZSA-N 480.565 5.208 30 20 JKED COc1ccc(-c2noc(CCCC(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)n2)cc1 920805307 BOGHWBMHCKGRGH-INIZCTEOSA-N 480.496 5.346 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3cccc(F)c3s2)C1 1778566625 SOJLTUIUEHDKIS-QFQXNSOFSA-N 472.626 5.160 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4ccc5ncoc5c4)CCC3)cc2)c1 1786040707 LPUNJFHPZNXNDR-UHFFFAOYSA-N 464.525 5.080 30 20 JKED COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(C#N)cc4)CCC3)cc2)cc1 1786328534 MDTIHOLOUDZSIN-RRPNLBNLSA-N 479.580 5.047 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCCOc4ccc(Cl)cc4)cc3)CCC2)C1 1786697079 AJENUEILQSLDLO-UHFFFAOYSA-N 452.982 5.599 30 20 JKED Cc1c(C(=O)NC2(c3ccc(NC(=O)CCC#N)cc3)CCC2)[nH]c2ccc(Br)cc12 1787888886 LPMWZMMJRPMUDX-UHFFFAOYSA-N 479.378 5.290 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3cc(F)cc(F)c3)cc2)CCC1 1788376081 PMCRJUVSULXIAW-HNNXBMFYSA-N 467.541 5.093 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C3CCN(Cc4ccccn4)CC3)CCC2)cc1 1789453237 QKCUOYBTNHKVPQ-MHZLTWQESA-N 486.660 5.196 30 20 JKED C=C[C@@H](O)C(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc[nH]c4cc3Cl)CCC2)cc1 1789491277 CKPOVXQJFBOXJB-JOCHJYFZSA-N 465.981 5.142 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(OC)c(NC(C)=O)c3)CCC2)cc1 1789626152 AWTYGESKWPRGIV-UHFFFAOYSA-N 477.605 5.394 30 20 JKED COc1c(Cl)ccnc1C(=O)Nc1ccc(C2(NC(=O)c3cccc([C@@H](C)C#N)c3)CCC2)cc1 1790143829 PJWJLWZUOXHNEZ-KRWDZBQOSA-N 488.975 5.432 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cncc(-c4ccccc4C=O)c3)CCC2)cc1 1790567296 KQQZPEWGAMNZSK-FQEVSTJZSA-N 498.583 5.110 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2)CCC1 1791517990 SSTRHBIRXLTAHB-DENIHFKCSA-N 471.642 5.272 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccnc3-c3ccc(F)c(F)c3)CCC2)cc1 1791574251 IEQSYKDVJDVUSG-HNNXBMFYSA-N 467.541 5.093 30 20 JKED C=CC[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccsc3)CCC2)cc1)NC(=O)OC(C)(C)C 1792204251 SPWLZEVNILWEFJ-NRFANRHFSA-N 483.634 5.355 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc2)CCC1 1792326123 NEEQZVTZZDMYNK-JOCHJYFZSA-N 469.626 5.194 30 20 JKED Cc1occ(C(F)(F)F)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C2 1797102983 HBVLSYYICDFYMD-BTTYYORXSA-N 492.391 5.330 30 20 JKED C=C(C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 1798206938 OPQITUGBILTTLS-BJWYYQGGSA-N 496.961 5.251 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3c(Br)cccc3c1)C2 1798334970 QGCFYFWEAOYKHG-CIAFKFPVSA-N 481.434 5.623 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1c[nH]c3ccc(Br)cc13)C2 1798592830 KHJIFNDEFHQFON-ACDBMABISA-N 486.454 5.104 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)c1 1802142288 HBXWASGHBHPRBE-ZIPUMODLSA-N 496.438 5.604 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C)c(OC)c(C)c2)[C@@H]1c1cccnc1 1802499751 IRHOGWOIRRIEGY-ISKFKSNPSA-N 463.622 5.019 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](C)c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 1802835424 QTNSALQJBQGIRA-RQADYFSKSA-N 487.003 5.038 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@@H](CNC(=O)CCCc2ccccc2F)[C@@H]1c1cccnc1 1803115424 DZYZVTITLAEKTE-IGKIAQTJSA-N 463.597 5.018 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4occ(-c5cccnc5)c4[nH]2)C3)c1 1803680930 JSWCCKCHJXIACL-OCYFJXFZSA-N 493.567 5.016 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cc2ccc([C@@H](C)C(F)(F)F)cc2)C3)c1 1803685246 YVXMVMVCLQAIJG-YPHZUOLQSA-N 497.561 5.474 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)c3cc(Br)cs3)CC2)C1 1804858466 FAFDKQDFVHXHRT-UHFFFAOYSA-N 467.473 5.348 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC3(CCCN(C(=O)C4CCC(C(F)(F)F)CC4)C3)CC2)c1 1806471641 CYXHUPLYUBOLHQ-UHFFFAOYSA-N 475.555 5.080 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)c2sc3ccccc3c2Cl)[C@H]1c1cccnc1 1809209835 OJLQIZFZDGAZQS-HBGVWJBISA-N 488.078 5.224 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2F)[C@@H]1c1cccnc1 1810414776 UTIHZAZGUKCUKQ-GJZUVCINSA-N 493.623 5.322 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 1810501737 COTIVLCRJAHCDC-JTHBVZDNSA-N 498.465 5.465 30 20 JKED CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccnc1)c1ccccc1 1811739472 KUMVQTGEQJRJMK-UMFSSWHCSA-N 487.003 5.120 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1812591353 FBXVYGRXPSQFLN-RPFOIHMYSA-N 494.639 5.741 30 20 JKED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1813053342 UCORGNGGQYDBJO-CUBQBAPOSA-N 469.560 5.011 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(F)c3Cl)[nH]n2)cc1 1814379260 LUNZJXVXCLIBHZ-OAQYLSRUSA-N 479.943 5.013 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Br)c3)[nH]n2)C1 1814397082 BKNBXVCPEFDLMV-SFHVURJKSA-N 477.790 5.098 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(Cl)cncc2Cl)[nH]n1 1814825515 ZOWKICYDFGFCHG-GOSISDBHSA-N 462.381 5.186 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2cccc(C(F)(F)F)n2)n[nH]1 1815880566 NQJDGSFPOYACIF-GOSISDBHSA-N 477.531 5.051 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)n[nH]1 1817677585 BGASDJFNIVZWSB-OYHNWAKOSA-N 481.000 5.280 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccnc2-c2ccc(C)cc2)n[nH]1 1817742488 QUKGNDNALQOZRY-WMZHIEFXSA-N 457.578 5.298 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccnc2-c2ccccc2C)n[nH]1 1817743075 WARBRROVIVDBQF-QFIPXVFZSA-N 475.618 5.005 30 20 JKED O=C(/C=C/C(=O)c1cccs1)Nc1cc([C@@H]2CCCCN2C(=O)/C=C\c2c[nH]c3ccccc23)[nH]n1 1818114602 JVKPHIAICIJIPQ-WNCFAYPNSA-N 499.596 5.097 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3c(Cl)cccn23)[nH]n1 1819554064 CCKYIJRECCSCSS-GOSISDBHSA-N 468.989 5.009 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)c(F)c2)n[nH]1 1820238233 IYPIDSOLGWJSRJ-HOYKHHGWSA-N 491.567 5.323 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)c4ccc(C#N)cc4)n[nH]3)c[nH]2)cc1 1820548508 LVGVAYGYTIJSOS-RUZDIDTESA-N 478.556 5.205 30 20 JKED N#Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)[nH]n2)ccc1F 1820914759 FIFCXGFKDANYMZ-DYZUWXGSSA-N 491.611 5.262 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](F)c4cccc(F)c4)c3)n[nH]2)CC1 1821006938 NTALDFJBBQVLQK-VWNXMTODSA-N 489.526 5.217 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)n[nH]1 1821267860 QVCWCYDLJVIUEM-KDOFPFPSSA-N 474.487 5.109 30 20 JKED CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)n[nH]2)CCCC1 1821308642 YHRHADUDKKJYTA-LJQANCHMSA-N 473.499 5.186 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cnc4ccccc4c3)[nH]n2)c1 1821321154 BZAKSIOXSVBYAQ-AREMUKBSSA-N 492.583 5.077 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cc(Cl)ccc3Cl)n[nH]2)CCC1 1821792057 YCWSBOHJAMBIKZ-LJQANCHMSA-N 474.392 5.035 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(N(C)C)c3ccccc23)[nH]n1 1821921806 UXCCYXZMDJWUHT-MHECFPHRSA-N 459.594 5.147 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccnc2-c2ccc(F)cc2)[nH]n1 1821923703 NKFUMFHRIAQHEZ-VGSWGCGISA-N 461.541 5.129 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]n1 1821925242 OQPIBAACFOPWOF-KOSHJBKYSA-N 482.588 5.471 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 1823286779 JTEOZXTUXLIJHR-YADARESESA-N 473.577 5.184 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)c(Cl)cc2F)n[nH]1 1823304230 SKILBHVVZUSFCA-INIZCTEOSA-N 475.298 5.373 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(C)oc2C(F)(F)F)CC1 1823750952 XXJBWVWEQFWLLJ-FQEVSTJZSA-N 468.560 5.833 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 1823753706 YKXVFZWHEGDCBH-QHCPKHFHSA-N 470.654 5.238 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CSc2ccc(F)cc2F)CC1 1824443342 QFESBCKPGUPCLY-GGAORHGYSA-N 476.633 5.445 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCOc2ccc(Cl)cc2)CC1 1824987112 WPSYTGSVJFWTLS-ISKFKSNPSA-N 481.102 5.073 30 20 JKED C=CCC(F)(F)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccncc2-c2cccc(C)c2)CC1 1827330927 IXUYVIOZTBMDSG-VWLOTQADSA-N 481.587 5.502 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Br)c3ccccc3c2)CC1 1827533799 PURUGUWTEGICOM-HSZRJFAPSA-N 496.449 5.385 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3c(c2)COC3)CC1 1828237043 UXPHTKJKSAYBAV-SANMLTNESA-N 480.725 5.001 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3c[nH]c4ccc(Br)cc34)CC2)C1 1828462307 DYUHHZADMFDWRP-DEOSSOPVSA-N 498.465 5.059 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 1828827787 VFDJYXDJDATQIB-ULNSLHSMSA-N 491.720 5.429 30 20 JKED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(OCC(F)(F)F)cc2Cl)CC1 1829657002 FSLVVFLHBWKDML-HXUWFJFHSA-N 499.961 5.064 30 20 JKED COc1c(C)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1C 1830674175 IDJDRTLPANXHPI-AJTFRIOCSA-N 487.644 5.486 30 20 JKED COc1cc(C)c(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2cccc(C#N)c2)CC1 1830784035 SMFRULVRGWHUIY-MHZLTWQESA-N 487.644 5.050 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Cl)cc(Br)c3[nH]2)CC1 1830930664 HRBQUPPFSCBEFU-HXUWFJFHSA-N 492.845 5.393 30 20 JKED COc1cccc2[nH]cc(C(=O)N3CCCC[C@H]3C3CCN(C(=O)c4cccc([C@H](C)C#N)c4)CC3)c12 1830943158 SFCCCNDAKVHOLX-IBVKSMDESA-N 498.627 5.351 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)CC2)c1 1831060545 QKPCCZUZQFTCCK-RUZDIDTESA-N 480.568 5.333 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2noc3ccc(Br)cc23)CC1 1831376447 NQTAUIOCMOXLOM-JXFKEZNVSA-N 488.426 5.036 30 20 JKED CSc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1O 1832633022 BFLDKIMBSNWOOV-CYFREDJKSA-N 491.657 5.288 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)Nc1ccccc1OC 10118212 LGIWFOQROAALTO-UHFFFAOYSA-O 460.406 5.903 30 20 JKED C=CCn1c(SCc2nnc(-c3ccco3)o2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10438340 OPIJINALBUKWIC-UHFFFAOYSA-N 480.546 5.694 30 20 JKED CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2Cc2ccco2)cc1 15276472 PNAAFZJNFBGYRM-UHFFFAOYSA-N 477.615 5.548 30 20 JKED CCc1sc2nc(SCC(=O)Nc3sccc3C#N)n(Cc3ccc(C)cc3)c(=O)c2c1C 15279742 ZWGGSPVLZZMBCQ-UHFFFAOYSA-N 494.667 5.350 30 20 JKED N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1Cl 20896469 IIWXGINLVAORMW-UHFFFAOYSA-N 477.952 5.388 30 20 JKED C[C@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)C(=O)N(CCC#N)c1ccccc1 21683885 QONFDFPXKYPNQI-KRWDZBQOSA-N 474.611 5.089 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)Nc2cccc(C(F)(F)F)c2)cc1 22693566 PLVQKKXEXBNPLJ-UHFFFAOYSA-O 465.467 5.884 30 20 JKED C[C@@H]1CCC[C@@H](n2c(SCC(=O)Nc3sccc3C#N)nc3ccccc3c2=O)[C@@H]1C 22718831 IJKOKEMPPXDWRT-SPYBWZPUSA-N 452.605 5.058 30 20 JKED CCCCc1nnc(/N=C(\O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)s1 23363862 QLJJJUXTJZUYHL-UHFFFAOYSA-N 451.474 5.173 30 20 JKED C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1[C@@H]1COc2ccccc2O1 23592051 QOZGNYKRYQLZFU-VWLOTQADSA-N 498.608 5.298 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 26196175 DKWVEKOIHNMYGK-LLVKDONJSA-N 466.708 5.395 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)[C@@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)cc1 32164005 LWKUKFMILOOULQ-DEOSSOPVSA-N 490.401 5.289 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1Oc1ccc(C)cc1 106190719 QLCSQIOVTJRKHF-UHFFFAOYSA-N 470.598 5.886 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 109166462 HEVXZTUUCZWXDM-UHFFFAOYSA-N 483.494 5.256 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccc2ccccc12 255952108 WNKDYRBZAMNPEF-LJQANCHMSA-N 465.578 5.933 30 20 JKED C=CCn1c(SC[C@H](O)Cn2cnc3cc(C)c(C)cc32)nnc1-c1ccc(Br)cc1 302929017 FNUUYOHUAZRERH-LJQANCHMSA-N 498.450 5.013 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c2C(F)(F)F)cc1 303059851 UHTHNXCIJKAJSO-UHFFFAOYSA-N 462.431 6.116 30 20 JKED CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)CC1 303233078 ZGEWDKKHFRQSAL-DEOSSOPVSA-N 460.622 5.307 30 20 JKED C=CCN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1nc(C(=O)OCC)cs1 409819835 HCVLVBVGTLMVJH-UHFFFAOYSA-N 488.363 5.102 30 20 JKED N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccc(-c3ccccc3)cc2)cc1 410046934 MYUVTJXGGXOCGU-UHFFFAOYSA-N 480.589 6.350 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)C3CCCC3)cc2F)c1 481165919 QWHQSEMYLGHBEM-AREMUKBSSA-N 471.532 5.263 30 20 JKED N#Cc1ccc(CCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cc1 484620470 GNOSVTNNEFFNBQ-QHCPKHFHSA-N 450.007 5.122 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)COc2ccc(Oc3ccccn3)cc2)cc1 487998421 WJNDPBZWJOXJNZ-UHFFFAOYSA-N 467.500 5.492 30 20 JKED N#Cc1ccsc1C(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 497985011 NDPXYSJZMKYIBG-CQSZACIVSA-N 464.399 5.876 30 20 JKED Cc1csc(Sc2ccc(C(=O)Nc3nc(C)c(SCC#N)s3)cc2[N+](=O)[O-])n1 504685778 ZOXAACKHKZAQCP-UHFFFAOYSA-N 463.591 5.144 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)NCCNc3nc4ccccc4s3)c2)cc1 504958919 DVZPAUMCJPUBIQ-UHFFFAOYSA-N 457.559 5.175 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1 508243437 QIOZYAALBHNMIR-UHFFFAOYSA-N 480.524 5.655 30 20 JKED CN(C(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1Cl)C1CCCCC1 508368194 ZRVHWHJREPBIGK-UHFFFAOYSA-N 498.002 5.110 30 20 JKED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 509557069 FCHQFAPVZKLLMH-UHFFFAOYSA-N 471.601 5.430 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1Cl 510022572 DZDBPBUHQGIRNB-NRFANRHFSA-N 467.356 5.200 30 20 JKED Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 510351833 RBZCFBILMGYMFU-UHFFFAOYSA-N 493.361 5.490 30 20 JKED CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511384834 RUNSURJQLCUUTN-UHFFFAOYSA-N 456.546 5.248 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1 511403954 FYQKRPYDILQQND-UHFFFAOYSA-N 463.541 5.108 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 513982124 YIDFTPCBJBKNHY-UHFFFAOYSA-N 491.588 5.648 30 20 JKED C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(Nc2ccccc2C)n1 514531559 QYCNBPVHKWPUCN-UHFFFAOYSA-N 454.669 5.293 30 20 JKED C=CCn1c(S[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)nnc1-c1ccc(Cl)cc1 514985811 LUEXTPKOUWGNLH-IFMALSPDSA-N 483.037 5.541 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(c2ccccc2)c2nc3ccccc3s2)CC1 515205026 KYVJMWVUURASSA-UHFFFAOYSA-N 495.564 5.997 30 20 JKED CCOc1ccc(-c2nc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cs2)cc1 515505996 CFPIDEKXEWKZLV-UHFFFAOYSA-N 483.593 6.035 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)c2nc(CC)n(-c3c(Cl)cccc3Cl)n2)cc1 517479529 ZNVUYFOGBUGVEW-UHFFFAOYSA-N 458.349 5.096 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 518140062 OJWMPWGJCMKMIO-HNNXBMFYSA-N 487.553 5.270 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1Cl 518653513 IGYQLVKBSRAJRW-ILBGXUMGSA-N 457.961 5.168 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 518660129 LCQUNGYJKQAARN-AWEZNQCLSA-N 484.672 5.399 30 20 JKED Cc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)n(CCC#N)n1 519442020 QMHBMVWGEWJSRU-UHFFFAOYSA-N 457.365 5.119 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCc3cn4ccccc4n3)cc2)cc1 519977397 KIZWEKYUBPFPLK-UHFFFAOYSA-N 476.561 6.543 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@@H](c3ccccc3)C3CCCC3)c2)cc1 520069943 FKBQSNUJGJZRSX-MHZLTWQESA-N 467.569 5.318 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cc1 520166534 VRCDVWOJIXMUKA-UHFFFAOYSA-N 474.589 6.501 30 20 JKED Cc1cccc(COc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)c(C)c2)c1 521311971 NRHAMDBHQTXLTB-UHFFFAOYSA-N 455.558 5.548 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cc1Cl 521432638 UCRJMKDVBQNIEX-AHWVRZQESA-N 492.982 5.330 30 20 JKED C[C@H](C#N)CSc1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 521726774 OSONNYNNHLEXHL-VGOFRKELSA-N 479.005 5.975 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Br)o1 521797726 TWGHATRDFXBXJW-OAHLLOKOSA-N 470.392 6.070 30 20 JKED N#C[C@@H](C(=O)c1sc2cc(Cl)ccc2c1Cl)c1nnc(N2CCOCC2)n1-c1ccccc1 521890128 HLYQUKRUKRUUOH-KRWDZBQOSA-N 498.395 5.115 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(C(=O)c4c(F)cccc4F)CC3)cc2Cl)cc1 524362302 MIHHBZMSVZLNNX-UHFFFAOYSA-N 496.901 5.272 30 20 JKED COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1Br 589887156 YZUSYJFPDIGFGI-CQSZACIVSA-N 477.767 5.733 30 20 JKED C=CCN(C(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459401 XLRLINKMGZKKMP-QGZVFWFLSA-N 496.614 5.306 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cn2)c1 603692817 OBGJGGZFGJKKFS-GOSISDBHSA-N 455.543 5.767 30 20 JKED C[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)C(c1ccccc1)c1ccccc1 603719595 LFLMERPLTBTSMI-HXUWFJFHSA-N 476.536 5.021 30 20 JKED N#Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)c2)c1 603983088 KAFJUNPICFHVNV-UHFFFAOYSA-N 479.867 5.284 30 20 JKED N#Cc1c(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)sc2c1-c1ccccc1CC2 603991660 GQBPUJCZZBFSOZ-UHFFFAOYSA-N 492.025 6.255 30 20 JKED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)c1ccc(F)cc1 604146867 LEIULZQBDKRAIT-LADGPHEKSA-N 477.967 5.977 30 20 JKED Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c12 604448235 XPNZZFLWDJEIDF-UHFFFAOYSA-N 487.523 5.313 30 20 JKED COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 604504421 WVXVTEGKBDFZTP-ZJOVHXHXSA-N 451.570 5.014 30 20 JKED N#Cc1ccc(CSCC(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)cc1 608851267 XXUWJWCJILPFJD-UHFFFAOYSA-N 489.984 6.318 30 20 JKED Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 608864151 KYYITQBLNFQLAQ-UHFFFAOYSA-N 458.993 5.927 30 20 JKED Cc1cc(-c2cc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c3cnn(C(C)C)c3n2)c(C)s1 608951025 NEOLWNGBRZYNGF-UHFFFAOYSA-N 499.644 5.023 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c1 609021484 DZZRYWZRYYYTJA-UHFFFAOYSA-N 467.453 5.707 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(Cl)cc1 609104167 SGOKCMGDWXRMCL-QHCPKHFHSA-N 465.912 5.136 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)cn2)cc1 609116096 ANZJQTMOZLNMTD-UHFFFAOYSA-N 466.419 5.143 30 20 JKED CC(C)(C)CN(CCC#N)C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 609191422 NUZUJECHMGJCTG-UHFFFAOYSA-N 461.484 5.125 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 609402962 XPAKINUPTXOKDL-INIZCTEOSA-N 498.435 6.089 30 20 JKED CC1(C)CC[C@@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c2ccccc21 609403911 KCHWEIXNDRCPNX-GOSISDBHSA-N 475.536 5.579 30 20 JKED CCOc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccccc2)cc1 609404724 PADNUHXEWZBSAI-CLOONOSVSA-N 473.598 5.181 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)c1oc2ccccc2c1CSc1cccs1 609427832 RYZFDXLQTFOOAD-MRXNPFEDSA-N 464.637 7.433 30 20 JKED Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 614385663 IICJDPCYRWXWTP-QGZVFWFLSA-N 495.988 6.715 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)N1CCC[C@@H](C)C1)C(C)C 639394075 AFIKVFBGBIBYTG-DYESRHJHSA-N 463.047 5.072 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)N1CCC[C@@H](C)C1)C(C)C 639394077 AFIKVFBGBIBYTG-UTKZUKDTSA-N 463.047 5.072 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 726395595 ACHSYQKZHQXGMQ-VGSWGCGISA-N 471.598 5.334 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\[C@@H](C)c1cccs1 726422204 VQAOQFKGXQEQIQ-QGBHTJAESA-N 457.621 5.141 30 20 JKED COc1cccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N([C@H](C)c3ccccn3)C2=O)c1 726422315 VFEUOCSTYDXKMR-VIVKRULVSA-N 494.642 5.303 30 20 JKED CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=S)Nc1ccc(C#N)c(Cl)c1 726452593 XFOGJHGHBAZCRL-HXUWFJFHSA-N 453.995 5.212 30 20 JKED CCOc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)ccc1OC(F)F 726626472 HDDARKCZYVYSTH-CAOOACKPSA-N 466.918 5.618 30 20 JKED COc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)cc1OC 726628137 YRXZDIVNLVIHDY-UBKPWBPPSA-N 495.807 5.397 30 20 JKED N#CCCCOc1cccc(/C=C(/C(=O)Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)c1 726742275 NGVNONNOOSBNHB-HKOYGPOVSA-N 468.509 5.045 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)/C=C\c1ccc(Br)cc1 727355415 RFLMYLYLNAVZGC-BENRWUELSA-N 470.348 5.229 30 20 JKED CCOc1cc(/C=C\C(=O)c2c(C)[nH]c3ccccc23)cc(Br)c1OCC(=O)N(C)C 728158462 OVCIFMBVANUMRV-KHPPLWFESA-N 485.378 5.001 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 728778670 FAZFFWWYWGHADO-HSZRJFAPSA-N 456.571 5.494 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(CCCCC#N)C2=O)c1 728778675 UJKKYQRMTBHVMM-NRFANRHFSA-N 485.009 5.311 30 20 JKED C[C@H](Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1)C(=O)N(C)CCC#N 729033113 NLAAVJDNTLBJHT-INIZCTEOSA-N 494.671 5.022 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2cccc(OCc3ccccc3Br)c2)c1OC 729433732 MEXAKFGXYCIDJI-OAQYLSRUSA-N 481.346 5.040 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 729894667 PHDWRKLSNOERKH-FXAWDEMLSA-N 497.567 6.311 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)c1ccccc1 729894673 PHDWRKLSNOERKH-YLJYHZDGSA-N 497.567 6.311 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc4cc(Cl)ccc4s3)n2)cc1 730692212 VVLRPEXLNGCJAO-INIZCTEOSA-N 453.976 5.891 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccccc1 730710852 SXJDVEVRQXXXKT-GOSISDBHSA-N 475.357 5.142 30 20 JKED CCCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(Cc3cocn3)C2=O)cc1 730714441 YJYNZUMETJEXRF-QHCPKHFHSA-N 492.601 5.241 30 20 JKED CCc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c3c2CCC3)cc1 730921239 WVNFQYIAMYWIIL-HXUWFJFHSA-N 467.356 5.191 30 20 JKED CCOc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)CC2=O)cc1 730993879 FEXQZLBXKIDNNZ-OAHLLOKOSA-N 477.508 5.101 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 730994306 JIMVWLAVMCCDBI-LLVKDONJSA-N 465.825 6.821 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731108062 YQLDRLLRBMWONB-SFHVURJKSA-N 464.381 5.841 30 20 JKED N#C[C@H](C(=O)CCCCOc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 731288495 SDTDUDSAHYUNLB-LJQANCHMSA-N 455.377 5.998 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2)o1 731307416 RWFXMZDMSHCRDE-FQQGMQMYSA-N 475.570 5.269 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2CC(F)(F)F)c(Cl)c1 731309751 VRLJIJNMASIAPR-MRXNPFEDSA-N 485.915 5.185 30 20 JKED COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2c(C)cccc2C)cc1 731310248 DCEQVXSGWSNMGM-QHCPKHFHSA-N 489.597 5.178 30 20 JKED CC(=O)Nc1ccc(/C=C2/CN(c3ccccc3)C/C(=C/c3ccc(NC(C)=O)cc3)C2=O)cc1 747316800 CQYYOYFQUARCSM-YFJQDTPYSA-N 465.553 5.160 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 749133441 IPUQLUVHVBKAMP-UHFFFAOYSA-N 493.373 5.141 30 20 JKED CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 749657008 SPWQYQGLJZWWQE-ZEQKJWHPSA-N 489.616 5.389 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O)Nc1cc(Cl)cc(Cl)c1 913098406 BAPBODJPQPXSBL-CQSZACIVSA-N 478.279 5.140 30 20 JKED CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2ccc(OC(C)C)cc2)C1=O 914553995 NWNLHHMYEQTTLP-LJQANCHMSA-N 480.417 5.048 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OCc4c(C)noc4C)cc3)n2)cc1 915102440 YWPFXLVXCJEQQQ-QFIPXVFZSA-N 457.555 5.721 30 20 JKED N#C[C@@H](C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1nc(-c2ccc(Cl)cc2)cs1 915102489 ZXURGDQSNIHMRB-KRWDZBQOSA-N 495.029 5.380 30 20 JKED COc1ccc([C@H](CC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)NC(C)=O)cc1 915102896 KIRLMGCPAPJVPQ-BQSLFTABSA-N 477.630 5.063 30 20 JKED Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 916056810 INWDAAYPLQUYRF-XIERNQRLSA-N 472.911 5.066 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(Cc2ccccn2)C1=O 916207440 YCNMQFZGLFKLSQ-DEOSSOPVSA-N 488.613 5.339 30 20 JKED CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 916213180 BBKPIBSZSVHWKO-IBGZPJMESA-N 481.952 5.005 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(C3CC3)C2=O)cc1Cl 916214078 JLLMJRQLDWUHIJ-GOSISDBHSA-N 464.374 5.125 30 20 JKED Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1 916217906 YJYIEQDAAPFVTL-HXUWFJFHSA-N 451.523 5.196 30 20 JKED CC(=O)N(c1nc(COC(=O)CSc2nc(C)c(C)c(C)c2C#N)cs1)c1ccc(C)cc1C 916538171 JMKLUBLDZWFDES-UHFFFAOYSA-N 494.642 5.472 30 20 JKED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 916890304 MFAOPUMNSQIGIH-FQEVSTJZSA-N 461.499 5.024 30 20 JKED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 916895156 GBWBADVKMKJCMT-HXUWFJFHSA-N 458.345 5.017 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 916912952 COOGZBYBOHETCR-OAQYLSRUSA-N 472.511 5.007 30 20 JKED Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 916946082 JQMAJCGTVGTNKE-GOSISDBHSA-N 484.387 5.640 30 20 JKED CCCn1c(=O)n(CCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 916977231 NLMOUJSHCNYBDU-GOSISDBHSA-N 464.978 5.256 30 20 JKED CC(C)[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 916996032 JHISYWJGCLDECU-PXNSSMCTSA-N 498.391 5.614 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)c1nc3cc(C(F)(F)F)ccc3s1)O[C@H](C)C2 917042366 FASNWDSJXPJHGE-UECWQGKISA-N 472.488 5.927 30 20 JKED C=CCn1c(S)nnc1Cc1csc(NC(=O)CCCc2ccc(Cl)c(Cl)c2)n1 917076206 HHNHXPNEGQYDIT-UHFFFAOYSA-N 468.435 5.068 30 20 JKED C=CCn1c(SCC[S@@](=O)c2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1 917185138 TZSCROKICDAEQT-MUUNZHRXSA-N 456.395 5.477 30 20 JKED CCCOCc1ccccc1CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(C)C)cc1 917665728 HMCZWFVSWBLUGP-HSZRJFAPSA-N 467.635 5.004 30 20 JKED Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2ccnc(C)n2)c1 917667948 MNYOPEYRNXGSQT-RUZDIDTESA-N 495.608 5.407 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 920139290 QOTNMHZYWDIBHP-MRXNPFEDSA-N 490.463 5.424 30 20 JKED Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 920140388 FQQFPSQVQCTZMA-FQEVSTJZSA-N 484.610 5.156 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(Cc3c(C)noc3C)C2=O)cc1Cl 920355503 MZUWLNIMHQYUQC-OAQYLSRUSA-N 498.992 5.114 30 20 JKED Cc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)Nc2ccc3c(c2)CCC3)cc1 920393758 FIYIJEWLZWUYPO-UHFFFAOYSA-O 472.634 5.501 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C 920892199 JNRIARIFERUGTJ-OALUTQOASA-N 478.980 5.157 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC2CCC2)C1=O)Nc1ccccc1C(F)(F)F 920927732 VZWDTBWKZADFSI-IBGZPJMESA-N 479.499 5.605 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 928974287 KJNZDSDRGSZPBD-GOSISDBHSA-N 481.499 5.048 30 20 JKED Cc1c(O)nc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc1-c1ccccc1 1459025835 IJOJSOPPMPFUPL-GOSISDBHSA-N 458.568 5.250 30 20 JKED CSc1nc(O)c(C(=O)NCc2ccc(Cl)cc2Oc2ccc(F)c(C)c2)cc1C#N 1598340175 BTILBXODGRBIDO-UHFFFAOYSA-N 457.914 5.204 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)C3(C)CCC3)cc2)CCC1 1785812549 WORSJPAKLJAIHF-QFIPXVFZSA-N 481.637 5.008 30 20 JKED COc1cccc(Cl)c1C(=O)NC1(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CCC1 1785885317 STZQDAYABYNYSJ-UHFFFAOYSA-N 473.960 5.211 30 20 JKED Cc1ccc2[nH]cc(CC(=O)Nc3ccc(C4(NC(=O)c5ccc(CC#N)cc5)CCC4)cc3)c2c1 1786780389 CLZHXQFKOALJHP-UHFFFAOYSA-N 476.580 5.533 30 20 JKED COc1cc(C)c(C(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)cc1OCc1ccccc1 1787648321 ALMACYYHQYZGTF-UHFFFAOYSA-N 483.568 5.244 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)cc(OC(F)(F)F)c3)CCC2)cc1 1787888971 UMEGEKSLYNFENJ-UHFFFAOYSA-N 465.859 5.290 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C3CC3)CCC2)cc1 1789448518 BFLYJHBFYQNRQB-RPWUZVMVSA-N 495.664 5.582 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)CCC2)cc1 1789455966 HEWBXIIMBQOFMB-QFIPXVFZSA-N 477.561 5.048 30 20 JKED O=C(/C=N/N1CCCCC1)Nc1ccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CCC2)cc1 1789513281 WHKIAHGGNXGVOL-UEZWSEHTSA-N 479.024 5.049 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)CS[C@@H]4CCCCO4)CCC3)cc2)c(Cl)c1 1790767871 MDAUQGNVDIBEJA-HSZRJFAPSA-N 484.021 5.219 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)CCC1 1790813324 WKNGQWZCUMPBOD-UHFFFAOYSA-N 489.597 5.199 30 20 JKED CC(C)[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cnc4c(F)c(F)ccc4c3)cc2)CCC1 1790964178 OJXZMBARTYXBBG-QFIPXVFZSA-N 469.557 5.215 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3F)CCC2)cc1 1791578993 OQPBKTSSXDLAFC-OAHLLOKOSA-N 487.597 5.239 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc4ncoc4c3)CCC2)cc1)c1ccc(O)cc1 1791646316 KYBPCSZEOKKCPA-OAQYLSRUSA-N 493.563 5.478 30 20 JKED C=C1C[C@@H](C(=O)Nc2ccc(C3(NC(=O)c4cccc(F)c4)CCC3)cc2)N(C(=O)OC(C)(C)C)C1 1791681398 OESJZYJDJYCDAT-QHCPKHFHSA-N 493.579 5.139 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3C[C@H]4CC[C@H]3N4C(=O)OC(C)(C)C)CCC2)cc1 1791731781 IWAYTTNBYOSIPU-WXFUMESZSA-N 493.648 5.102 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cccc([C@@H](C)C#N)c4)cc3)CCC2)cc1OC 1792125366 WVKSIBLUMMDBSJ-IBGZPJMESA-N 483.568 5.392 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)c1 1792126971 PFMHJHLDYAYVEU-SFHVURJKSA-N 466.516 5.386 30 20 JKED CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccc(C3(NC(=O)C#CC4CC4)CCC3)cc2)CC1 1792203892 GQYXBZAVHFTBRL-SAIGFBBZSA-N 493.648 5.008 30 20 JKED CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)c2ccc(Cl)cc2)cc1C#N 1792822943 RREXILGUEGUNTJ-YLJCJYEASA-N 480.008 5.054 30 20 JKED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ccccc3c2Cl)c(Cl)c1 1797464719 UOVUKBQDBHGZFR-MUJYYYPQSA-N 484.408 5.645 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@](C)(OC)c1cccc3ccccc13)C2 1798335367 JHTFLXLUGKZRAW-WVIKYXKOSA-N 460.618 5.108 30 20 JKED C=CCCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)n2ccccc12 1799095530 PLLLPLBXFVJDRX-BKFWDETESA-N 469.629 5.851 30 20 JKED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1 1799280472 ACSXJQBSHGWFJH-FZDIXFNVSA-N 468.585 5.323 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@H]1c1cccnc1 1802490327 AWBIZJDPPBEMDW-AVRDEDQJSA-N 457.977 5.186 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1803086754 LVUWAQVKNMBVCH-VAVYLYDRSA-N 495.623 5.962 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)[C@H]1c1cccnc1 1803088201 IKPXKVCPYIWXDT-NOZRDPDXSA-N 486.641 5.293 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(c4ccc(C(F)(F)F)cc4)CC2)C3)c1 1803684950 SNRGSCYCENSZNH-ZFWPHHPHSA-N 495.545 5.316 30 20 JKED N#CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C3CCCCC3)c(C(F)(F)F)c2)[C@H]1c1cccnc1 1806284379 QORWMSWDAUKCMF-BWKNWUBXSA-N 498.549 5.381 30 20 JKED CC1(C)CCC(CC(=O)NC[C@H]2CCN(C(=O)c3ccc(CC#N)cc3)[C@@H]2c2cccnc2)CC1 1808900992 GHWXYFKGFOLCAC-XNMGPUDCSA-N 472.633 5.074 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1810175665 XAHXVDWOLFBSGK-AGILITTLSA-N 496.533 5.060 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)c(F)c2)[C@H]1c1cccnc1 1810175770 VQIJCLLVDBIPHA-HFASVGIHSA-N 497.614 5.976 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)no2)[C@H]1c1cccnc1 1810863975 NTQIHTYYRLMGQC-WIOPSUGQSA-N 472.589 5.049 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(F)cc(Cl)c3)[C@H]2c2cccnc2)c1 1813864487 VTJPOONDLNICMT-FTGWLVSGSA-N 490.966 5.135 30 20 JKED C#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3scc(-c4ccccc4)c3[nH]2)[C@H]1c1cccnc1 1814105670 HEBLDXXNEZQDIR-IDISGSTGSA-N 482.609 5.024 30 20 JKED Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(C#N)cc3)n[nH]2)cc1 1814381204 LIIXGJRXZDCHKG-CPJSRVTESA-N 469.589 5.018 30 20 JKED N#Cc1ccc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)[nH]n2)cc1 1814381934 YIIHRVWWNGOKBR-AREMUKBSSA-N 497.599 5.009 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](c3ccccc3)N(C)Cc3ccccc3)[nH]n2)C1 1814397314 MGQPNZGQNVHMHG-XTEPFMGCSA-N 497.643 5.241 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2ccc(OC)cc2)[nH]n1 1814829121 LLMYACRURHLKSC-RUZDIDTESA-N 499.615 5.555 30 20 JKED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2CCC(c3ccc(Cl)cc3)CC2)[nH]n1 1815194462 IWSAFTIKETZNEJ-NNESSARFSA-N 497.039 5.068 30 20 JKED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cc2C(F)(F)F)[nH]n1 1815207242 ZCKFILWLCYJFDF-FQEVSTJZSA-N 495.546 5.100 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)[nH]n1 1815573027 YMIHEAQMWQOSED-INIZCTEOSA-N 494.411 5.606 30 20 JKED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)[nH]n1 1815652601 RSKNJWXLTDEUSO-JBVUFVISSA-N 478.540 5.053 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4c(s3)CCC4)n[nH]2)c1 1816617944 BMPPBJCPZBVUAC-KKSFZXQISA-N 473.602 5.207 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H]2CNc3ccccc3C2)n[nH]1 1817372865 KBNVODGIXHZYMB-HOKHCIIBSA-N 475.637 5.235 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)no2)n[nH]1 1817754603 NNPJVHLXDARAIV-OAQYLSRUSA-N 497.983 5.007 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2ccc(F)c(F)c2)[nH]n1 1819301881 URWWEIRDFYSVPG-XMSQKQJNSA-N 456.537 5.081 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(C(F)(F)F)[nH]2)n[nH]1 1819634903 XBKPTVRIQCMPIF-INIZCTEOSA-N 451.493 5.055 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c3ccccc3n3ccsc23)n[nH]1 1820101383 HNPCKWJUJMWYKN-JOCHJYFZSA-N 487.629 5.951 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(C)C)no2)n[nH]1)c1ccccc1 1820332413 ZJJLHHKUKRXPDW-REWPJTCUSA-N 473.577 5.024 30 20 JKED Cc1ccccc1-c1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1 1820547610 USWLCDFAVXGKIX-RUZDIDTESA-N 490.567 5.272 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(C(F)(F)F)cc3)[nH]n2)cc1 1821180743 LULLKXBYTWXZDW-QFIPXVFZSA-N 495.505 5.043 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c(C)noc2-c2ccc(Br)cc2)[nH]n1 1822399610 JUQJJOAKIGPUEM-GOSISDBHSA-N 498.381 5.018 30 20 JKED C=CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccccc3c(Cl)c2OC)[nH]n1 1822400532 QFTZCOXMHKQVPG-LJQANCHMSA-N 452.942 5.107 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)Cc3cc(Cl)cc(C(F)(F)F)c3)n[nH]2)CCC1 1822489404 VKRGYCCRKDASPO-GOSISDBHSA-N 493.917 5.011 30 20 JKED COc1ccc(Cl)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)[nH]n2)c1 1823131261 QYZDFYFVCXJECQ-HJPURHCSSA-N 491.979 5.318 30 20 JKED Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c(C(F)(F)F)o1 1823210370 BBTNFPIZBLRLLC-JLTOFOAXSA-N 499.493 5.577 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](F)c3ccccc3)[nH]n2)c1 1823211306 LUFXLLXRVYLZFU-UWSIMGETSA-N 459.525 5.053 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)[nH]n2)c1 1823212736 YXGHKRJRVGLBIM-KDOFPFPSSA-N 467.982 5.371 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(F)cc(Cl)c3)n[nH]2)c1 1823213533 XCCFNFARGYPTMJ-OYHNWAKOSA-N 479.943 5.449 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 1823683834 NMZLLJFOVAOURU-RUZDIDTESA-N 481.999 5.217 30 20 JKED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)CCC1 1824450849 YGSHTEMYVXAAKR-QHCPKHFHSA-N 489.582 5.342 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1824512135 DMVGVCJRQZJRMM-CUNXSJBXSA-N 460.618 5.178 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1824545446 VMEVKFFIZVNCAP-WOJBJXKFSA-N 474.564 5.032 30 20 JKED CC(C)[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825572475 CSLADHGHZRDBKN-ZEQRLZLVSA-N 471.642 5.009 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)s3)CC2)cc1 1825855204 BADKBVUNQDJTGK-FQEVSTJZSA-N 456.011 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)CC2)c1 1826535521 YUEXVKLXCDXSDE-FPYVQNFMSA-N 455.602 5.260 30 20 JKED N#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1 1826686566 KXUHDMNTFZUJTG-QNAFOZIXSA-N 470.057 5.537 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)CC1 1827353228 MMQAKORFONRMJN-NLFFAJNJSA-N 463.597 5.333 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccoc2C(F)(F)F)CC1 1827777960 RCOQMJGQQVTOPE-ICSRJNTNSA-N 452.517 5.300 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)CC1 1827937414 URMRSVAWWAQIPU-LJQANCHMSA-N 467.576 5.270 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1827991110 HTWIVSMLUYLOGR-VGOFRKELSA-N 488.053 5.079 30 20 JKED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4c(Cl)cccc4s3)CC2)CC1 1828320912 YAELBEFUNUQKCE-LJQANCHMSA-N 456.011 5.092 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 1828498706 QVMBUFSHZGOTGA-OZXSUGGESA-N 499.659 5.331 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)cnc2Cl)CC1 1828906386 JSHPLBJQTKFYKK-QFIPXVFZSA-N 492.111 5.159 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C)nc2C)CC1 1829069803 AKAHZAPPAMYUQO-VWLOTQADSA-N 453.671 5.243 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C)nc2C)CC1)c1ccccc1 1829530898 ATDPKHJTNONHQW-NSOVKSMOSA-N 471.645 5.129 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 1829564113 GGBKNKAGGPJWOB-VWLOTQADSA-N 456.590 5.039 30 20 JKED CCSc1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685488 HWOXPQGMIGSECV-QFIPXVFZSA-N 497.064 5.266 30 20 JKED COc1c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)cc2ccccc2c1Cl 1829707143 CBSNGSBTRZUOLP-QHCPKHFHSA-N 494.035 5.429 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(C)(C)C(=O)OC(C)(C)C)CC1 1830127758 OXWFQBIOZZVZPF-HSZRJFAPSA-N 474.686 5.133 30 20 JKED Cc1ccc(-c2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4ccc(CC#N)cc4)CC3)c[nH]2)cc1 1830630639 OFNDSJLYXUMOOX-GDLZYMKVSA-N 494.639 5.603 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1 1830723597 LAYHZYGFGYQHMP-MBSDFSHPSA-N 497.064 5.021 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2c[nH]c3ccc(F)cc23)CC1 1831376673 UIWLHZOPWRDRPP-DFBJGRDBSA-N 453.602 5.072 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3cccc(Cl)c32)CC1)C(F)(F)F 1831453595 GPBAVWOVTAXRFK-UYAOXDASSA-N 468.947 5.108 30 20 JKED C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1831531580 DYEUYCOVWGXWGF-OZXSUGGESA-N 482.741 5.125 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 1832029189 WXNNSCRRECZNJB-HSZRJFAPSA-N 479.448 5.186 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 1832630700 LOMSQMCMPRIMJT-BZDILZQOSA-N 455.602 5.260 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(C(C)C)on3)CC2)cc1C#N 1832701695 OZTZNMBQGFWCCE-XMMPIXPASA-N 492.620 5.004 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)C1 1842584146 GQBCTBRQXIPLHP-HSZRJFAPSA-N 497.680 5.147 30 20 JKED C=CCn1c(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccncc1 10772361 DVVDTHAKOMRLJA-ZDUSSCGKSA-N 458.469 5.448 30 20 JKED Cc1ccccc1-n1c(SCC(=O)N[C@](C)(C#N)C2CC2)nnc1-c1ccc(Cl)cc1Cl 11023446 IQYSAHHGRODKMY-HSZRJFAPSA-N 486.428 5.450 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1cc(C)n(C)c1C)=C(/S)Nc1ccc(SC(F)F)cc1 11113532 LTJOJDAAXWTXOY-UHFFFAOYSA-O 474.622 5.857 30 20 JKED C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1-c1cccnc1 18404960 SUCUDVMYUUQWJO-QFIPXVFZSA-N 492.004 5.660 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)s2)cc1 21055964 LGNNCXJSVITGQE-UHFFFAOYSA-N 495.593 5.202 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)nnc1-c1ccc(F)cc1 22033729 XWDUNIAVEYWOGV-XMMPIXPASA-N 488.588 6.141 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C 23518859 FRUJGTKQDQDBDH-ZWKOTPCHSA-N 466.582 5.031 30 20 JKED C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nc2sc(C)c(C)c2c1=O 26022638 BDUCCHLCPKIKCZ-QGZVFWFLSA-N 492.651 5.353 30 20 JKED Cc1nc(CSc2ccccc2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cs1 32290253 MTJFKMPTXLFTNA-UHFFFAOYSA-N 471.607 6.447 30 20 JKED Cc1ccc(Cn2nc(C)c(/C=C\C(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)c2C)cc1 97655088 CSEXIQVUXHRZIU-YPKPFQOOSA-N 480.568 5.164 30 20 JKED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1nc2ccccc2n1C(F)F 195557332 PRRJJDKBUKPAGO-LSDHHAIUSA-N 491.325 5.467 30 20 JKED O=C(/C=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(N2CCOCC2)c(F)c1 302991024 LFUOGYYKMOKQKH-SOFGYWHQSA-N 462.468 5.701 30 20 JKED Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Br)c1 303316577 GYZXNRGZJKSFKS-MRXNPFEDSA-N 450.336 5.861 30 20 JKED CN1CCC(c2ccc(-c3cnc4[nH]cc(Cc5cccc([C@H](C#N)CCC#N)n5)c4c3)cc2)CC1 328578925 ZSOXGTRAERIZCQ-DEOSSOPVSA-N 474.612 5.936 30 20 JKED C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 485380556 GTKSHBPSWMEEJL-INIZCTEOSA-N 467.447 5.527 30 20 JKED Cc1cccc(C(=O)N[C@@H](C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C(C)C)c1 501463932 XCBHBQWRKBQZJV-AREMUKBSSA-N 455.558 5.033 30 20 JKED Cc1nc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc1SCC#N 504830869 KBDUIEVFKGDXNY-UHFFFAOYSA-N 463.563 5.240 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cc1 505704057 ZRTVVQMBBSOTRV-UHFFFAOYSA-N 461.631 5.105 30 20 JKED C[C@H](Nc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1[N+](=O)[O-])c1ccccn1 506140941 LZVQZPSTDAGAAC-IBGZPJMESA-N 463.497 5.210 30 20 JKED Cc1nn(Cc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2)c(C)c1[N+](=O)[O-] 509560925 SYBIEVHLEBOIBP-FQEVSTJZSA-N 457.515 5.070 30 20 JKED C=CCn1c(SCC(=O)N[C@@H]2CCOc3c(CC)cccc32)nnc1-c1ccc(Cl)cc1 509812499 USFAXWNGTGVKJB-HXUWFJFHSA-N 469.010 5.079 30 20 JKED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 510091707 HQSBBLXMEAXTIL-UHFFFAOYSA-N 495.501 5.154 30 20 JKED COc1cc(C)ccc1Oc1ccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1F 510266053 AAANPTAQDAADFI-UHFFFAOYSA-N 450.514 5.233 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1 510614383 IJZDPVMALWAUMQ-QHCPKHFHSA-N 459.977 6.224 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(F)cc1Br 511744265 WOXYJCSEIXMFDC-UHFFFAOYSA-N 461.312 5.361 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(OCC(F)(F)C(F)F)nc3)c2)cc1 511775041 FVFHBWFHYQPCPL-UHFFFAOYSA-N 473.426 5.258 30 20 JKED C=CCn1c(SCC(=O)N(CC(F)(F)F)C2CC2)nnc1-c1ccc(Cl)cc1Cl 512863039 YQVIPLBGQCQTGT-UHFFFAOYSA-N 465.328 5.083 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 513187249 WWDSWILTEFKRSV-FQEVSTJZSA-N 465.431 5.928 30 20 JKED C=CCn1c(SCC(=O)N[C@@H](CC)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 513298462 LJMPYEOYKQEMRR-FQEVSTJZSA-N 456.999 5.153 30 20 JKED Cc1cc(Br)ccc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513954099 XYVYOSIIOHXEEJ-UHFFFAOYSA-N 452.327 6.003 30 20 JKED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513981176 HJGXPNHHQMSZBZ-UHFFFAOYSA-N 498.480 5.532 30 20 JKED CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCCC#N)n2C2CCCCCC2)c1 514291162 LHKNTSSRSAWTRB-UHFFFAOYSA-N 475.684 5.267 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3sc(-c4ccccc4)cc3C#N)cs2)cc1OC 515699723 VSXHZLWRYKUMFO-UHFFFAOYSA-N 461.568 5.609 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cc1 516269891 CDUZIVDBALDZFA-OXQOHEQNSA-N 499.552 5.785 30 20 JKED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 516430726 AKRFOHWFIDWVJT-XMMPIXPASA-N 482.927 5.243 30 20 JKED C=CCN(C(=O)Nc1ccc(OCc2ccccc2F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 517529798 UZLFMHAQPSWSEW-LJQANCHMSA-N 472.524 5.162 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 517684901 RNTVNJMPLMYNIN-FQEVSTJZSA-N 468.582 6.680 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 518661206 SSBBSFYXKPFHKM-MRXNPFEDSA-N 476.652 6.341 30 20 JKED Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccccc3SC[C@@H](C)C#N)c(C(F)(F)F)c2)n1 518684861 PIJSQHKRDNSSGY-HNNXBMFYSA-N 487.551 6.081 30 20 JKED CC(=O)CCc1ccc(OCCC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 520191218 QMMUYDYSMHPCJP-VWLOTQADSA-N 460.961 5.925 30 20 JKED COC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(Br)cc1 521810551 UGKSOQWXOKCKSI-KSSFIOAISA-N 476.396 5.269 30 20 JKED Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524115172 YZDWKDCNOQSIRZ-UHFFFAOYSA-N 450.970 5.441 30 20 JKED COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c(OC)c1 524441635 UHECDIYVGBEGHC-XMMPIXPASA-N 491.975 6.177 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2ccccc2SCCC#N)cc1 524674658 XPTUJMHCTJBJHW-UHFFFAOYSA-N 468.582 5.735 30 20 JKED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1 591616256 VAIGZLOLAPMXBQ-INIZCTEOSA-N 463.584 5.400 30 20 JKED CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 603766899 ZCKVKTKARIJCFY-NRFANRHFSA-N 452.963 5.431 30 20 JKED CC(C)c1ccc(OC2CCN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)CC2)cc1 603829912 GXVZOEZFWVUGHY-UHFFFAOYSA-N 493.658 5.901 30 20 JKED Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)n2)cc1F 604118165 LMJYNEIZVVKYKM-UHFFFAOYSA-N 470.504 5.401 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccc5nc[nH]c5c4)c3)cn2)c1 604432291 VPTSBGRHCFXJQW-UHFFFAOYSA-N 474.480 5.126 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1C 604450991 XJYORCKUTAPJQT-CALCHBBNSA-N 472.433 5.284 30 20 JKED CC(C)CCN1Cc2cccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2C1 609064121 USZGJIVOMXBDFP-UHFFFAOYSA-N 473.577 5.023 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)cc2)c1 609064854 MILFQROJUKMWHA-UHFFFAOYSA-N 480.421 5.733 30 20 JKED CCOc1ccccc1N1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 609078673 HAACZZZHMJYWMB-UHFFFAOYSA-N 470.573 5.199 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3cccc(C(F)(F)F)c3)cc2Cl)c1 609083742 HDCLNHBIOSPHKM-UHFFFAOYSA-N 487.865 5.064 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](C)c1cc2ccccc2o1 609085447 QDDTUTSRBYANGX-GOSISDBHSA-N 453.498 5.008 30 20 JKED COc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1OCc1ccccc1Cl 609184715 SRKMWARCTCNWTC-UHFFFAOYSA-N 476.960 5.483 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 609434581 AJRZDEGNMPUDMV-NRFANRHFSA-N 481.625 6.597 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)c(OC)c1 611898770 UCWKHSFXWKRBOM-UHFFFAOYSA-N 474.435 5.305 30 20 JKED O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618464547 IZXNCGZVAUKGMG-HTQZYQBOSA-N 463.749 5.110 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)N(C)C1CCCCC1)C(C)C 639394211 HHHNFPRIPWDFEN-JOCHJYFZSA-N 460.619 5.090 30 20 JKED C=CCSc1ccccc1NC(=O)COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 725994624 IJMZJAYYYYKSHU-UHFFFAOYSA-N 478.517 5.903 30 20 JKED C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1c(Cl)cccc1Cl 726315980 RAUNVYGUJJBKLD-UZLBHIALSA-N 466.368 5.507 30 20 JKED CC(C)[C@H](c1ccccc1)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C#N)c(Cl)c1 726408958 JZPBPUVIMMDXLA-FYYLOGMGSA-N 481.021 5.209 30 20 JKED CC(C)(C)c1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(Cl)cc2)cc1 726571152 FJDSHMUMOYODTF-UHFFFAOYSA-O 467.014 5.432 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)Cc2ccccc2-3)[n+]2cccc(CO)c2)c1 726572579 CGRBBDQZHWDYLI-UHFFFAOYSA-O 475.593 5.342 30 20 JKED CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Br)s1 727058410 MBYMYFAWIGBDLA-UHFFFAOYSA-N 450.383 5.148 30 20 JKED CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1sc(-c2ccc(Cl)cc2)nc1C 727648528 IWXOCAJJKPZQBY-UHFFFAOYSA-N 490.054 5.178 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc(N4CCOC4=O)c3)cc2Cl)c1 728122010 TUKVIEBSDOEVTD-UHFFFAOYSA-N 476.920 5.069 30 20 JKED C[C@H](Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)Nc1ccccc1OC(F)F 728298580 GRMLFVMZPFKCKB-HNNXBMFYSA-N 455.436 5.317 30 20 JKED CN(C[C@H]1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1)C(=O)OC(C)(C)C 728737096 JEGNMETVEYVIFK-AUSIDOKSSA-N 497.039 6.106 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1Cl 728778130 QJFMFCXHUGUWAP-IBGZPJMESA-N 475.401 5.648 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(CCCCC#N)C1=O 728779073 XJCMOJQZWBTHSE-NRFANRHFSA-N 485.009 5.311 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2scnc2C)c(C)c1 729144043 UGLJMWMPMARPHY-QFIPXVFZSA-N 492.670 5.846 30 20 JKED CS(=O)(=O)Nc1ccc(/C=C\C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 729320104 VYPSYVXINOKHTD-GUIXVQPWSA-N 465.962 5.019 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C1CCC1 730463206 UKGIYZVGVLBWTF-HSZRJFAPSA-N 454.555 5.224 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\c1ccc2ccc(Cl)cc2n1 731069574 ISTBZTAXGDJUJA-SNGWPZLWSA-N 465.962 5.478 30 20 JKED CN(C)C(=O)COc1cccc(C(=O)/C=C/c2cn(C(C)(C)C)nc2-c2ccccc2Cl)c1 731158471 AJYFHDNPQNRTER-BUHFOSPRSA-N 465.981 5.322 30 20 JKED Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccc(F)c(F)c2)cc1F 731309796 WYUYEMVTVVBWTP-JOCHJYFZSA-N 499.514 5.278 30 20 JKED C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 746661099 XNSJISRVQLTSSS-RLWLMLJZSA-N 451.595 7.199 30 20 JKED COc1cc(/C=C(\C(=O)Nc2c(C)cc(C)cc2Cl)C(=O)c2ccccc2)cc(Cl)c1O 747154606 HYPQOAKPIXTZBU-WQRHYEAKSA-N 470.352 6.229 30 20 JKED CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1Cc1cscn1 747602689 MBHWKHZOYDFGER-JOCHJYFZSA-N 492.626 5.069 30 20 JKED COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 779182032 CMHVNKKAFHOYAZ-QGZVFWFLSA-N 476.554 5.052 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(Cc3cccs3)C2=O)cc1OC 837302024 RXLPFJZSRNFTOE-JOCHJYFZSA-N 495.626 5.234 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCc2cccs2)cc1 838040805 LHMUSJMHSWETTI-OAQYLSRUSA-N 483.590 5.099 30 20 JKED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 913267907 NOPULTYKAREYBY-HXUWFJFHSA-N 470.529 5.131 30 20 JKED CCN1CCC[C@@H]1Cn1c(C)cc(C=Nn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1C 914692149 MWOOVIIOEOTEOC-HSZRJFAPSA-N 473.646 5.218 30 20 JKED Cc1cc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2Cl)c(C)s1 914694935 YXRVRAFERXGXDV-YJYMSZOUSA-N 462.040 5.380 30 20 JKED CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 914839107 SNFAQOUUZXCHKI-OAHLLOKOSA-N 481.763 5.375 30 20 JKED Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 914956564 JUIXRNCLZMWEFQ-GOSISDBHSA-N 490.560 5.025 30 20 JKED N#C[C@H](C(=O)COCc1nc2ccccc2s1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 915102746 GEQZXWXHOQAVQZ-GVMKUJSRSA-N 463.628 5.614 30 20 JKED COc1cc(CCC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc(OC)c1OC 915103188 QQODQJLKPILIFY-DDJRVCKESA-N 480.630 5.446 30 20 JKED CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1F 916057259 MBSJTTAAGJONBX-HXUWFJFHSA-N 485.968 5.074 30 20 JKED COc1cc(C=C(C(=O)Nc2ccc(C)cc2C)C(=O)Nc2ccc(C)cc2C)ccc1OCC#N 916151499 DWYVRIOKNOPSCG-UHFFFAOYSA-N 483.568 5.492 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(Cc3ccccn3)C2=O)c1 916205800 MCUZTAJCDOHMMN-JOCHJYFZSA-N 495.004 5.213 30 20 JKED COc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C 916367623 IXVFLSUPYBUGCV-HSZRJFAPSA-N 494.661 5.802 30 20 JKED N#CCOc1cccc(NC(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)c1 916682557 SIQHXHHHLICDNO-UHFFFAOYSA-N 466.497 5.890 30 20 JKED COc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)sc2C)cc1 916887730 QAKTVEBANFCKBI-LJQANCHMSA-N 472.538 6.008 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 916902163 VHDPURRELHVCHB-INIZCTEOSA-N 493.387 5.705 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1 916949122 MEIUKSMDJWKIFY-WAIKUNEKSA-N 463.628 6.219 30 20 JKED N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(Cc2ccccc2)cc1 917613606 OWUCNFHHRBKNCT-UHFFFAOYSA-O 493.568 5.668 30 20 JKED Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2C)n1 917670511 YXCFASZITKRKML-QHCPKHFHSA-N 458.587 5.167 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C#N)N(Cc3ccc(C)cc3)C2=O)c1 917706912 BDTKYVIWMZZITQ-XMMPIXPASA-N 484.581 5.036 30 20 JKED N#CCOc1cccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)c1 918596375 DDRGGAYXISMABJ-UHFFFAOYSA-N 469.448 5.169 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(F)(F)F)c1 918602267 JBXFFBFWDQTIHD-UHFFFAOYSA-N 481.323 5.009 30 20 JKED Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1csc(COc2ccccc2)n1 918709372 GPNQPEVTYQFZLC-UHFFFAOYSA-N 462.387 5.458 30 20 JKED CCN(C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)[C@@H](C)c1ccc(C#N)cc1 919998595 JTORKMMDIVDFML-KRWDZBQOSA-N 485.385 6.154 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)c2c1C 920110606 SMUNQOYDWVEVQT-SFHVURJKSA-N 460.584 5.291 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)c(Cl)c2)s1 920171909 DDHKXSIDPNUQLB-KZULUSFZSA-N 466.003 5.210 30 20 JKED N#C[C@@H](C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1nc(-c2ccncc2)cs1 920264995 HEJUZXIUZFTZEH-QFIPXVFZSA-N 466.541 6.302 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cc(C)on3)C2=O)c1 920353437 JPKXYIRYMLONKI-XMMPIXPASA-N 490.629 5.884 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 920354749 FWFYKCOZPVMJJV-BBVWWWHTSA-N 491.657 5.017 30 20 JKED CN(C)C(=O)COc1cccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 920480634 LEIQURBMVYGZLC-KHPPLWFESA-N 460.477 5.192 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1 920746054 QWPKQRZLJZTLQK-UHFFFAOYSA-N 453.542 5.314 30 20 JKED COC[C@@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)cc1 920870333 SIMLXKSHUYRSGA-UUOWRZLLSA-N 491.613 5.091 30 20 JKED C[C@@H](CC#N)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)NC1CCCCC1 1761356327 FBGIBRVGWWTVCB-HNNXBMFYSA-N 471.030 5.000 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3)CCO2)C1 1779245460 HIIPTDXHGNRVPF-QFIPXVFZSA-N 473.828 5.083 30 20 JKED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)CCCCCCCCCc4ccccc4)C3)C2)C1 1785504768 YEBXQPJSDJBGSB-LJAQVGFWSA-N 466.666 5.146 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)Cc4cnc(NC(=O)OC(C)(C)C)s4)CCC3)cc2)C1 1785810633 YALBEIMMQFXXSS-UHFFFAOYSA-N 496.633 5.133 30 20 JKED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)c3ccc(C)o3)cc2)CCC1 1786493343 BMKDHLVSRIAPBY-OAQYLSRUSA-N 481.593 5.195 30 20 JKED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccccc4C(F)(F)F)[nH]n3)cc2)CCC1 1787155350 FPRCBITVTVEPNC-AWEZNQCLSA-N 488.535 5.162 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(N)c(Br)cc4C)cc3)CCC2)C1 1787949971 SWQQSPUKPZZLMV-UHFFFAOYSA-N 468.395 5.054 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4c(n3C)-c3ncccc3OC4)CCC2)cc1 1789451864 USJHSEDGYAJUGD-QHCPKHFHSA-N 496.611 5.496 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cn4ccc(Cl)cc4n3)CCC2)cc1 1789454508 ZSLQIMGKEQACJE-NRFANRHFSA-N 462.981 5.504 30 20 JKED Cc1cccc(C)c1SCC(=O)Nc1ccc(C2(NC(=O)/C=N/N3CCCCC3)CCC2)cc1 1789645538 CJWLLFXIONRKOS-MTDXEUNCSA-N 478.662 5.001 30 20 JKED Cc1cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc(C#N)cc4Cl)CCC3)cc2)n(C(F)F)n1 1790136850 LWUYBDRTUTWVFC-UHFFFAOYSA-N 483.906 5.173 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(Cl)c(Br)c4)CCC3)cc2)c1 1790148156 JBGZPIXOLNPCJT-UHFFFAOYSA-N 497.780 5.364 30 20 JKED CC(=O)Nc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C)cc(C#N)c4)CCC3)cc2)ccc1C 1790748236 ROQQNNACEGYTHH-UHFFFAOYSA-N 480.568 5.195 30 20 JKED CC(=O)Nc1cc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)ccc4F)CCC3)cc2)ccc1C 1790748530 YGFCLKXVSPHXAK-UHFFFAOYSA-N 484.531 5.026 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)c4cc5[nH]ccc5s4)CCC3)cc2)c1 1790763678 FVIIQJODKPJURR-UHFFFAOYSA-N 458.518 5.302 30 20 JKED C=CC[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C3=CC(C)(C)N(C(=O)c4ccccc4)C3)cc2)CCC1 1791496313 CTGUMMFWSOAMAH-OAQYLSRUSA-N 485.628 5.194 30 20 JKED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1SCc1ccccc1)C2 1793051670 XHNNXTLMXCLCEG-BKFWDETESA-N 475.658 5.394 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)[C@H]1c1cccnc1 1802496644 RHVVTPCQVILJKL-DHLKQENFSA-N 472.589 5.049 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2nc3ccc(C)cc3s2)[C@@H]1c1cccnc1 1803077490 LZHRYSYFGPSHSJ-ZJSXRUAMSA-N 474.630 5.088 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)[C@H]1c1cccnc1 1803084169 OSYXUCAMIILPTG-DUZPHZCSSA-N 498.627 5.059 30 20 JKED CC#CC[C@H](C(=O)N1CCC2(CCCN(C(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)C2)CC1)c1ccccc1 1805947029 NOULZSDZYGBIMY-AWCRTANDSA-N 498.667 5.227 30 20 JKED Cc1ccc2[nH]c(C(=O)NC[C@H]3CCN(C(=O)c4cccc(C#N)c4Cl)[C@@H]3c3cccnc3)cc2c1 1809150040 GGFJRDUYRYYKPN-FQRUVTKNSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)[C@@H]1c1cccnc1 1810173781 QLLHLVLGYHEGRX-NDDXJGTKSA-N 496.655 5.389 30 20 JKED CCC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)C1)n1cccc1 1810936458 QXNYTMBBTHOTNR-RCZVLFRGSA-N 460.622 5.001 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(Cl)ccc2OCC)[C@H]1c1cccnc1 1811253864 JMSBXRQNHGTYSB-GBXCKJPGSA-N 484.040 5.446 30 20 JKED Cc1cccc(C(=O)N2CC[C@H](CNC(=O)c3cccc(C#N)c3Cl)[C@@H]2c2cccnc2)c1Cl 1811426372 VFRGIVNMAISULC-DVECYGJZSA-N 493.394 5.202 30 20 JKED CC(C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc([C@H](C)C#N)c2)[C@H]1c1cccnc1)c1ccccc1 1813863144 GXHACTBZTANZSZ-KZNIJNHCSA-N 494.639 5.468 30 20 JKED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2c2cccnc2)CCC1 1814050352 CXLNFEUSBOFFJG-RDPSFJRHSA-N 488.975 5.008 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n[nH]2)cc1 1814372521 UOIKDDFIRGLRDG-HSZRJFAPSA-N 486.963 5.230 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cc(OC)ccc2OC)[nH]n1 1814442425 MFKDDCPSFTVIGS-QFIPXVFZSA-N 482.625 5.044 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3=O)[nH]n1 1814443150 NXTPWRJNABXEDG-JOCHJYFZSA-N 462.594 5.227 30 20 JKED COc1ccc([C@@H](C)C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)cc1 1814733103 GZAHONOZXOEGJO-MWTRTKDXSA-N 491.979 5.053 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)CCCCC)[nH]n1 1815463236 VJJFGSSMBRCQMW-DYXWJJEUSA-N 489.661 5.088 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccc(Cl)c(C)c3)[nH]n2)n[nH]1 1817678175 KDTMMSGVJBYHJF-HSZRJFAPSA-N 493.011 5.261 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817739927 DYGAXIWOQOANQB-YADARESESA-N 457.578 5.298 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc3cc[nH]c23)[nH]n1 1819385310 QLWCQNRJTXRWLR-JOCHJYFZSA-N 475.669 5.248 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)[nH]n1 1819557667 RWWGSTAJJQNKFM-AZUAARDMSA-N 489.661 5.088 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C(F)(F)F)ccn3)n[nH]2)c1 1819861264 FXECADVSXRLIRJ-VFNWGFHPSA-N 496.493 5.070 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C3(c4ccc(F)cc4)CC3)[nH]n2)c1Cl 1820218381 SYCDIBUEAMKTBT-OAQYLSRUSA-N 491.954 5.112 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)[nH]n2)cc1 1821180455 UZHGLIAIVQQSMN-JOCHJYFZSA-N 496.596 5.219 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(N3CCCOC3=O)cc2)n[nH]1 1821336699 ZOGHEPRKQQYHLU-JOCHJYFZSA-N 493.608 5.055 30 20 JKED Cc1cc(Cl)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)c1 1823192020 WSZUGEDPISSKNS-HXOBKFHXSA-N 475.980 5.618 30 20 JKED Cc1scc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)c1C 1823211111 JYEFSWBZPBBZNN-IVZQSRNASA-N 461.591 5.335 30 20 JKED COc1cc(Cl)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1 1823216353 SIIFVYFMKQKUFE-QMHKHESXSA-N 491.979 5.318 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)CC1 1823684393 YCFOLTGMLAHTCZ-SANMLTNESA-N 486.660 5.117 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc4cccc(Br)c4[nH]3)CC2)C1 1823700465 OJCMFZZEIRYKMK-JOCHJYFZSA-N 484.438 5.130 30 20 JKED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1823886199 UYHPLEYRMQVMFV-QHCPKHFHSA-N 496.449 5.385 30 20 JKED C[C@@H](c1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C(C)(C)C#N)CC2)cc1)C(F)(F)F 1823887857 QAJPEURRKOJGDB-AVRDEDQJSA-N 477.571 5.064 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc3nscc23)CC1 1824143932 WKQNHQPIAVENHP-DEOSSOPVSA-N 451.636 5.298 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3CCCCC3(F)F)CC2)c(Cl)c1 1824650053 REKXQUQELNSSLX-RBBKRZOGSA-N 477.983 5.270 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3s2)CC1)C(F)(F)F 1828156975 ZKSCDUBSOAJNDP-SFHVURJKSA-N 468.516 5.392 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1)c1ccc(O)cc1 1828259919 ITYGVFJCVSCWJK-CUBQBAPOSA-N 498.623 5.569 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(Cl)(Cl)Cl)CC1 1828907188 XYIZBKFVWDYRGZ-SFHVURJKSA-N 479.952 5.027 30 20 JKED COc1ccsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCC#C[Si](C)(C)C)CC1 1829486664 DDBUFIRXLYGFMZ-NRFANRHFSA-N 474.743 5.041 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)c1Cl 1829690063 IPBIMUOAXKULEC-QHCPKHFHSA-N 474.992 5.240 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3)c(F)c2)CC1 1829705492 HOSSJSJECCLDSN-KDYSTLNUSA-N 493.623 5.527 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)CC2)c(Cl)c1 1830088094 LFJKRTRKJNITQC-HSZRJFAPSA-N 471.935 5.037 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830417805 IJCDYSQSVLRMTJ-FUFSCUOVSA-N 499.655 5.121 30 20 JKED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 1830579220 YABXOZNRXCQENG-OAQYLSRUSA-N 492.929 5.106 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c(Cl)c1 1830721858 SASMKYLQBYOUNS-RUZDIDTESA-N 474.992 5.240 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 1831445843 KUMHKVWEBZTQAL-OAQYLSRUSA-N 464.984 5.203 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1)c1ccc(O)cc1 1831484059 ULWMZOXHGMFJSJ-HCOGHBJCSA-N 490.688 5.335 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3occc3n2-c2ccccc2)CC1 1832029618 JLWONSQCMKPSIY-RUZDIDTESA-N 485.628 5.650 30 20 JKED Cc1cccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)c1 1832629146 KPUSWTVZDAUJFW-NEKDWFFYSA-N 471.645 5.488 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)CC3)[nH]c12 1832633018 ZEXHBRSWWUISNT-KDYSTLNUSA-N 482.628 5.651 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc(Cl)c2F)CC1 1832687388 YDGVBNKKOJCESJ-NQIIRXRSSA-N 464.984 5.620 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)cc1C#N 1832704589 OPBTWAVHBALIBE-CUNXSJBXSA-N 487.644 5.382 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1832708419 KLSLFFDUWIYQNZ-IBGZPJMESA-N 496.467 5.810 30 20 JKED C=CCCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C(C)(C)C)s3)CC2)CC1 1833076386 BMYLOOWHQJSIQA-UHFFFAOYSA-N 473.727 5.223 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(-c4ccc(C)cc4)c3)CC2)CC1 1833931142 OKZPROIASISFRB-UHFFFAOYSA-N 490.692 5.168 30 20 JKED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](c3ccccc3)[C@@H](C)CC)CC2)CC1 1834460176 ZLJGQKPPOYIZTG-NEKDWFFYSA-N 479.709 5.156 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C2 1841320152 OPEUTWFVHPVTRA-UHFFFAOYSA-N 485.344 5.053 30 20 JKED Cc1nc2cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(C#Cc5ccccc5)cc4)C3)ccc2s1 1845393014 UXYJHDZKYNDWJM-UHFFFAOYSA-N 491.616 5.135 30 20 JKED C=CCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)nnc1-c1ccccc1 9448333 VYKIBFQLSGIBBW-UHFFFAOYSA-N 461.616 5.370 30 20 JKED CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@H](C)C(=O)Nc2ccccc2C#N)cc1 9966184 YZZFJIWBTNCLHC-LJQANCHMSA-N 483.597 5.248 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC 10242639 NOWRPWTVGBGUHZ-UHFFFAOYSA-N 477.417 5.197 30 20 JKED C=CCn1c(SCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)nnc1-c1ccc(OC)cc1 10406243 CPHYHZMTCBRRIJ-UHFFFAOYSA-N 488.613 5.052 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2cccc3ccccc23)cc1 11126728 RTINANIHNJOHRL-UHFFFAOYSA-O 484.689 7.037 30 20 JKED Cc1ccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccc(N(C)C)cc2)cc1F 14872489 ZYSXJLFRIMNLAL-UHFFFAOYSA-O 464.630 5.836 30 20 JKED COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(OC(F)F)c(OC)c3)c2)cc1 16385107 ZBWYWDUMRAZBCT-WUXMJOGZSA-N 453.441 5.454 30 20 JKED CCOc1ccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2-c2ccccc2F)cc1 21120155 VURQDQPPUAOOEC-UHFFFAOYSA-N 479.562 5.136 30 20 JKED CC(C)CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc2ccccc2c1=O 22294408 FEXWDOVXDMZRTJ-GOSISDBHSA-N 466.582 5.009 30 20 JKED C=CCn1c(Cc2csc(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)n2)n[nH]c1=S 23041834 NXPLCMFZAWYVDB-UHFFFAOYSA-N 490.825 5.152 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)nnc1-c1cccc(C)c1 23591044 LAMYVWCVTDMTBZ-UHFFFAOYSA-N 472.618 5.281 30 20 JKED CCOC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccccc2CC)[n+]2cccc(C)c2)c1C 28793772 TWDGVEZUKAAMHF-UHFFFAOYSA-O 464.611 5.017 30 20 JKED CC[C@]1(c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)CCC(=O)NC1=O 60017141 JCHMROUGKAGYCZ-HHHXNRCGSA-N 469.566 5.046 30 20 JKED CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 195653125 PZNNWMMVTGGFBD-UHFFFAOYSA-N 463.510 5.385 30 20 JKED O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NCC#Cc1cccc(C(F)(F)F)c1 218779901 SPWKNVCZUDDZII-JOCHJYFZSA-N 499.558 5.008 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)c1 255076158 ZKNLURLINFBZCY-VWLOTQADSA-N 480.593 5.704 30 20 JKED C=CCn1c(SCc2nc3ccccc3c(-c3ccccc3)c2C(=O)OC)nnc1-c1cccnc1 302701762 RIAJPNLUBPEPQR-UHFFFAOYSA-N 493.592 5.820 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CCCCCC2)nc1 302949669 DKXADCDRARFFPL-UHFFFAOYSA-N 455.562 5.756 30 20 JKED C=CCn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccccc1C 479857196 OHZVZJSXYZUIKK-UHFFFAOYSA-N 465.579 5.433 30 20 JKED N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(N4C(=O)c5ccccc5C4=O)c3)c2)cc1 485720186 IQSBUYROACYYFH-UHFFFAOYSA-N 459.461 5.403 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)s2)c(C(F)(F)F)c1 487452899 ZQNRKFMOTCDAEE-UHFFFAOYSA-N 471.420 5.266 30 20 JKED CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 491721330 JFGDBDZGJNPJAG-IBGZPJMESA-N 456.546 5.509 30 20 JKED N#CCN(C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2)c1ccccc1 497352995 WUJHJHHNFDRQFK-CAPFRKAQSA-N 459.505 5.621 30 20 JKED O=C(NCCc1c[nH]c2cc(F)ccc12)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 501272037 YVQGVGQJTSDITE-UHFFFAOYSA-N 484.375 5.503 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)c2)cc1 501425871 QATAGCOBMGBLIO-UHFFFAOYSA-N 469.541 5.014 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1 501894438 OKIRLIIJTROOHN-UHFFFAOYSA-N 478.577 5.428 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1 503368580 DKLFAHRYEBYKJT-SANMLTNESA-N 450.498 5.665 30 20 JKED C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Oc2ccccc2)cc1 506333306 DJDLUTYTCBXGGE-IBGZPJMESA-N 482.540 5.692 30 20 JKED CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1cc(C#N)c(SC)nc1O 508259487 ZHFDPOIWZQTJMP-UHFFFAOYSA-N 461.465 5.322 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)CC1 508338736 HBZYTXZJMWLAKW-UHFFFAOYSA-N 493.489 5.183 30 20 JKED CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 508585418 BRCWNVZIKMOMJM-NYVOZVTQSA-N 451.954 5.022 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 509897519 XFDJTJSVJDIGLY-UHFFFAOYSA-N 452.436 5.493 30 20 JKED CCOc1ccc([C@@H](C)NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1OCC 510237229 OYNWQFDIOPTPCH-OAHLLOKOSA-N 483.619 5.382 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](c1ccccc1)c1nccs1 510559144 MWPFYAXOQQTHDZ-IBGZPJMESA-N 460.372 5.532 30 20 JKED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COc1cc(C(F)(F)F)ccc1Cl)CCCC2 512108124 WKPDOPTUVXVRJI-OAHLLOKOSA-N 481.902 5.107 30 20 JKED Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 515452700 YDVCAPLVOSAMEX-UHFFFAOYSA-N 467.569 5.570 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(Cc3cccc(Br)c3)C3CC3)cc2)c1 517531527 AVTMWIOPZDEYKJ-UHFFFAOYSA-N 490.357 5.243 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 518259341 JANZJYGZSOKEFD-MBSDFSHPSA-N 473.577 6.133 30 20 JKED N#Cc1ccc(-c2csc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)n2)cc1 518603821 LYODDSCWNWMQCD-UHFFFAOYSA-N 474.855 5.187 30 20 JKED Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)s2)cc1 518633319 RDJKVBIWWVFBOW-HXUWFJFHSA-N 461.635 5.133 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccc(C(C)(C)C)cc1 518653967 QMOBRYQFBSMZSI-SFHVURJKSA-N 493.702 6.388 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 518739161 QUXKOGUXYUAICS-IBGZPJMESA-N 479.627 5.548 30 20 JKED CC(C)[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nc(-c2cccnc2)no1 518751594 ZKHONVJWNKZFJU-JOCHJYFZSA-N 454.490 5.314 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nc2cc3ccccc3cc2c1=O 519413249 KOEVIXFGHHYMOI-KRWDZBQOSA-N 488.638 5.695 30 20 JKED N#C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(OCc2ccccc2)cc1 520269858 LEBQSKLPOBEFHK-JOCHJYFZSA-N 461.974 5.842 30 20 JKED C=CCn1c(S[C@H](C(=O)NCc2cccnc2)C(C)C)nc2scc(-c3cccs3)c2c1=O 521731709 APTGQWHSJUXJHA-FQEVSTJZSA-N 496.683 5.201 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)NCCc4cccs4)CC3)cc2)c1 521809188 XCLPKFIYFFALMW-UHFFFAOYSA-N 474.586 5.015 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)cc1Cl 522974125 RJCBPDXBUXTMQU-DEOSSOPVSA-N 462.018 5.797 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1 523594092 XXWHKNCJIQJRQK-UHFFFAOYSA-N 491.994 5.811 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 524248647 GKHUJOPKVGRQLV-UHFFFAOYSA-N 494.521 5.402 30 20 JKED COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 524437845 CEFUXQSOXQOMKZ-HHHXNRCGSA-N 485.584 5.667 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(OC2CCCC2)nc1 524438556 KFFOOFURTQESIL-UHFFFAOYSA-N 456.546 5.484 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCNC(=O)NC2CCCCC2)cc1Cl 524707306 ITTMZWDWOYIAEZ-JOCHJYFZSA-N 452.986 5.346 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)CCN(Cc2ccc(C#N)cc2)C(C)C)cc1 550444985 WKOHEAHKFIYYQO-UHFFFAOYSA-N 470.573 5.058 30 20 JKED C[C@H](Sc1ncccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)N1CCCC1 587988752 NKRGGWZTWSTTFG-HNAYVOBHSA-N 497.045 5.452 30 20 JKED C=CCN(C(=O)c1nn(-c2ccccc2)c(C)cc1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 593484309 KYUUOWXTQAYXEI-UHFFFAOYSA-N 497.407 5.804 30 20 JKED N#Cc1c(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)sc2c1CCC2 603637239 PZYIXSMFNSAIPL-UHFFFAOYSA-N 480.387 5.304 30 20 JKED COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 603819063 BUZNPBRTNXLKHS-UHFFFAOYSA-N 498.608 5.680 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3ccc(C(F)(F)F)cc3)cc2Cl)c1 609084735 CMENXQCRBVLKLF-UHFFFAOYSA-N 487.865 5.064 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1Cl 609206698 QUSPJJZHRUZRAA-DEOSSOPVSA-N 497.002 6.192 30 20 JKED Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2)cc1 609430240 DSGHJZYEZXDZBY-SFHVURJKSA-N 465.600 5.442 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 609437657 JFCVFWZPJBQJRL-UONOGXRCSA-N 450.391 5.546 30 20 JKED Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)cc1 609439738 MXUWYOBSDRSRGH-IRXDYDNUSA-N 478.643 5.637 30 20 JKED O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 611791686 ZSXYWSBDHLHALD-UHFFFAOYSA-N 482.359 5.503 30 20 JKED CSc1nccn1-c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 613319343 CUHWDDHZNWNSDK-SFHVURJKSA-N 450.976 5.861 30 20 JKED N#C[C@@H](C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1 613319722 LNCKPDCWNKGYFW-QFIPXVFZSA-N 493.009 5.927 30 20 JKED C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1OC 642622429 YPGLRCXQYFQUHO-OAHLLOKOSA-N 474.399 5.157 30 20 JKED O=C(NCc1ccccc1OC(F)(F)F)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642675604 KKTLGHLATUFAIB-QWRGUYRKSA-N 452.317 5.294 30 20 JKED C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1 669909683 JRLBGVCLOZNICO-CYBMUJFWSA-N 465.381 5.547 30 20 JKED CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 726133058 BTLDLZJBMJDNKZ-LCUIJRPUSA-N 460.559 5.326 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC[C@@H](C)OC)cc1 726394268 UJPWGFMSWUPJKT-AUSIDOKSSA-N 467.635 5.251 30 20 JKED Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(Cl)c(Cl)c1 726570954 OKNYSUHLSASVSW-UHFFFAOYSA-O 491.807 6.143 30 20 JKED C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(Cl)c2)[n+]2ccc(Cc3ccccc3)cc2)c1 726573495 GXRPPVVGFXOVCV-UHFFFAOYSA-O 482.028 6.523 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC(F)(F)F)cc1Cl 726892405 UPEWUEQNRHGIGC-INIZCTEOSA-N 489.878 5.010 30 20 JKED CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)Nc2ccc(Cl)nc2)[n+]2ccc(C(C)(C)C)cc2)N=C1C 727161187 CCNPKMHLBZXYMV-UHFFFAOYSA-O 484.045 5.638 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 728119131 IUFWYIBCIIQSCW-UHFFFAOYSA-N 468.557 5.003 30 20 JKED Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c(C)n1-c1ccc(F)c(Cl)c1 728704537 HZMFKFKWNPAWQW-UHFFFAOYSA-N 468.315 5.610 30 20 JKED COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 729660420 ZSSJCXPCRXPVHN-UHFFFAOYSA-N 455.514 5.110 30 20 JKED Cc1nc(NC(=O)c2sc3cc(Br)ccc3c2Cl)sc1SCC#N 729823652 BXXPBTXRTOLNHE-UHFFFAOYSA-N 458.815 5.950 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2C2CCC2)cc1 730460882 ICJWDFRJEFYZSL-HSZRJFAPSA-N 459.571 5.361 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 730687982 QXBLDYGLENPRES-UKRRQHHQSA-N 499.441 5.005 30 20 JKED Cc1cc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cnccn3)S/C2=N\[C@@H](C)c2cccs2)c(C)s1 730730232 UGJNOIDEWOJZEP-MIDYOLAISA-N 499.687 5.367 30 20 JKED O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731108051 YQLDRLLRBMWONB-GOSISDBHSA-N 464.381 5.841 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](c2ccccc2)C2CC2)C1=O)Nc1cccc(O)c1 731307906 WBKIITREJKRCMZ-UKILVPOCSA-N 489.572 5.643 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C1=O)Nc1cccc(O)c1 731307958 KARKBZXMSLJUPM-NRFANRHFSA-N 499.514 5.572 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1CCCC1CCCC1 731312952 RFVVPKSAXWPORQ-QHCPKHFHSA-N 476.602 5.195 30 20 JKED COc1cc(C(=O)/C=C/c2cccc(OCc3ccccc3C#N)c2)ccc1S(=O)(=O)C(F)F 731319945 SMNISJFKZUMTFI-PKNBQFBNSA-N 483.492 5.038 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccc3ccccc3n2)C1=O)NCc1ccccc1 743513363 WKMZTKCKKXPGKC-AREMUKBSSA-N 494.620 5.116 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSCc1cc(-c2cccs2)on1 747112423 UVZKLVUTVNLAHC-GOSISDBHSA-N 453.589 5.109 30 20 JKED CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2Cc2cscn2)cc1 747602188 YNZAMPUFOGPFSZ-OAQYLSRUSA-N 464.616 5.174 30 20 JKED CCN(Cc1ccccc1)c1ccc(C=Nn2cnc3ccc(Br)cc3c2=O)cc1 767303357 YDSGUCHRKQPFGP-UHFFFAOYSA-N 461.363 5.068 30 20 JKED Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2[C@H](C)c2ccccn2)c1 837382359 DHFNVRZULPKKBR-VGSWGCGISA-N 462.550 5.251 30 20 JKED COCc1ccccc1CN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1 914545368 AYXJZCHQMTUVOS-DEOSSOPVSA-N 473.598 5.302 30 20 JKED Cn1c(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)nn(CN(CCC#N)Cc2cccnc2)c1=S 914565644 XRJUXWONYLXESX-FQEVSTJZSA-N 480.707 5.599 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)OCc2nc(O)c3ccc(C(F)(F)F)cc3n2)cc1 915511677 DMPKHISNGHMZNS-UHFFFAOYSA-N 479.414 5.162 30 20 JKED CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC(F)F)cc1 916211350 MQKURMSTKJJTLK-SFHVURJKSA-N 465.497 5.188 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccc(OC)c2)cc1 916213253 CIVOXWWIAJPTNR-QHCPKHFHSA-N 493.560 5.003 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(C2SCCS2)cc1 916883337 JHEQHSGYWNTHOU-MRXNPFEDSA-N 450.557 5.441 30 20 JKED N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccc(SC(F)F)cc1 916885666 ACKMQTNLIDPEFH-JARZOMNASA-N 472.513 6.230 30 20 JKED N#C[C@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)C(=O)Nc1ccc(SC(F)F)cc1 916886564 IJESQUDLMBJOJA-CYBMUJFWSA-N 482.484 5.013 30 20 JKED CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)O[C@H](C)C2 916928613 PCGIHKBKMZQLEE-ROLZCXJJSA-N 459.329 5.076 30 20 JKED Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917043324 KMGRYHOPJKQZGZ-PKOBYXMFSA-N 473.520 5.645 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 917515163 KBVKBXGNQRSCKP-FQEVSTJZSA-N 494.439 6.471 30 20 JKED CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2ccc(Br)s2)cs1 917557677 GHBOPKYRSQIZHK-QPJJXVBHSA-N 467.797 6.201 30 20 JKED CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3F)s2)cs1 917559719 CCLLRXFIUMSRDT-FMIVXFBMSA-N 462.571 6.900 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(Cc3cccs3)C2=O)c1 917704194 UXMVUWGDABUHSW-QFIPXVFZSA-N 474.611 5.397 30 20 JKED Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1C 918820839 MFUSGEZNACPCFH-UHFFFAOYSA-N 459.527 5.277 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N1CCC(OCc2ccccc2)CC1 918842543 AWGOHPCYOKTUGQ-UHFFFAOYSA-N 486.593 5.074 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[C@H](C#N)C(=O)Nc2ccccc2)c(OC)c1 920109571 RHIWVICMOSLEEL-QHCPKHFHSA-N 467.525 5.132 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(Cc2cc3ccccc3s2)C1=O 920478897 NMBIWLLZAKVONV-QFIPXVFZSA-N 459.596 5.322 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1 920819491 PZIKVVNEGOUVMI-CPJSRVTESA-N 459.958 5.563 30 20 JKED COC[C@H](C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 920871423 SLWHIZLAHFDMDT-HXOBKFHXSA-N 479.577 5.222 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 921275990 PSROWGFAUIRDME-UHFFFAOYSA-N 477.698 5.077 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(Br)cccc4c3)C2)C1 1778617631 SQHMSCDMILDATK-AREMUKBSSA-N 499.449 5.038 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@H]4CCC(F)(F)C4)cc3)CCC2)c(Cl)c1 1785804996 PEITXUOZUGCQPZ-INIZCTEOSA-N 457.908 5.395 30 20 JKED CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)NC2(c3ccc(NC(=O)C#CC4CC4)cc3)CCC2)CC1 1786304503 KIBCBIOCXQTYDZ-SAIGFBBZSA-N 493.648 5.008 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)CSc3ccc(F)cc3F)cc2)CCC1 1786323375 MVNIXIWBNXGSRB-OAQYLSRUSA-N 464.603 5.145 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cnc(CCCCC)s3)CCC2)cc1 1786367330 KJGIMSHIQPJOPI-UHFFFAOYSA-N 469.651 5.606 30 20 JKED C=CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)COc3ccc(Cl)c(Cl)c3)CCC2)cc1 1786371080 GYOTWNQRBFAASX-INIZCTEOSA-N 477.388 5.097 30 20 JKED Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)NC2(c3ccc(NC(=O)CC#N)cc3)CCC2)c1 1787648428 CYOYBPKGYAGHSF-UHFFFAOYSA-N 462.550 5.003 30 20 JKED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CC(C)(C)C)cc2)CCC1 1787658847 YFCLAXNYQKBQRQ-QFIPXVFZSA-N 483.653 5.254 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccco4)no3)cc2)CCC1 1788420752 PBYOGQAADMDMJZ-UHFFFAOYSA-N 489.648 5.733 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)[C@]3(F)CCCCC3(F)F)cc2)CCC1 1789164084 IPNNSEAFXWHAAO-NFPSEPLVSA-N 490.547 5.539 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cccc(-c4cnco4)c3)CCC2)cc1 1789457972 INSZMORBYSMFJN-XMMPIXPASA-N 455.558 5.858 30 20 JKED CCc1nc(C(=O)Nc2ccc(C3(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)CCC3)cc2)co1 1789852186 OXRMREUNLCNIBS-UHFFFAOYSA-N 482.462 5.189 30 20 JKED COc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CCC2)c(Cl)c1OC 1790286977 SUGSEMWLNDJOHS-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)Cc4[nH]nc5c(Cl)cccc45)cc3)CCC2)c1 1790371681 LTTJLLZLVHEXOV-UHFFFAOYSA-N 483.959 5.078 30 20 JKED COc1ccc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)c(F)c1 1790638097 SBGMNQWNLAKUGD-UHFFFAOYSA-N 471.532 5.086 30 20 JKED Cc1ncsc1C(=O)NC1(c2ccc(NC(=O)c3ccc(C#N)cc3Cl)cc2)CCC1 1790764073 LTEHPNCJCHTQFW-UHFFFAOYSA-N 450.951 5.038 30 20 JKED CCOc1c(F)c(F)cc(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)C(F)F)CCC3)cc2)c1F 1790777844 DXRNDPBXNFYJOT-UHFFFAOYSA-N 492.391 5.151 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(C#N)cc(C(F)(F)F)c4)cc3)CCC2)C1 1790785614 WISMZNPXRDVCKT-UHFFFAOYSA-N 453.464 5.291 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3nccc4occc34)CCC2)cc1)c1ccc(O)cc1 1791642413 IWCNYZQCMWQJPT-NRFANRHFSA-N 493.563 5.478 30 20 JKED C[C@@H](Cc1ccco1)C(=O)Nc1ccc(C2(NC(=O)c3ccc(C#N)nc3C(F)(F)F)CCC2)cc1 1791909625 RGWIPCFDXSAFOX-INIZCTEOSA-N 496.489 5.192 30 20 JKED CCOc1ncccc1C(=O)NC1(c2ccc(NC(=O)c3cccc([C@@H](C)C#N)c3)cc2)CCC1 1792121874 AJBNXXSWRMJGPE-IBGZPJMESA-N 468.557 5.169 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccco5)no4)CCC3)cc2)c1 1792123964 VUSZIVCUPSFOOQ-GOSISDBHSA-N 480.524 5.623 30 20 JKED C=CCSCC(=O)NC1(c2ccc(NC(=O)c3ccc(OCC4CC4)c(F)c3)cc2)CCC1 1792184063 PNUCHJIDSIQZIE-UHFFFAOYSA-N 468.594 5.281 30 20 JKED Cc1ccc2[nH]cc(CC(=O)NC3(c4ccc(NC(=O)COc5ccccc5C#N)cc4)CCC3)c2c1 1792235658 DCQGASMPZQEGSD-UHFFFAOYSA-N 492.579 5.104 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4c(Cl)cccc34)CCC2)cc1 1792239715 BECNXWHRTVIVKS-UHFFFAOYSA-N 498.970 5.520 30 20 JKED N#Cc1ccccc1OCC(=O)Nc1ccc(C2(NC(=O)c3cccc4ccoc34)CCC2)cc1 1792239732 CLFDNTXBHHNUPE-UHFFFAOYSA-N 465.509 5.131 30 20 JKED N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccccc2Oc2ccccc2)C3)cc1 1792482459 DZFBXLYUEGYPOX-QEIWAGNOSA-N 479.580 5.235 30 20 JKED CC(C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(C(F)(F)F)c1)C2)c1ccccc1 1793208433 LKZLTZUPXSEORT-KIHHCIJBSA-N 483.534 5.269 30 20 JKED CC#CC[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(Cl)cncc2s1)c1ccccc1 1796372051 BLQYWZTTXQFODN-PLACYPQZSA-N 492.044 5.399 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)[C@H]1c1cccnc1 1803079299 KMSRHFAVZGXHTK-JZTIPWCFSA-N 477.571 5.225 30 20 JKED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1 1803826800 UQRVGVDMUBRZLF-QBQZLBCUSA-N 470.594 5.106 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC2(CCCN(C(=O)CSc3ccc(F)cc3F)C2)CC1 1805928469 FJPOHMDFTTWXCF-FQEVSTJZSA-N 462.606 5.057 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)Cc3ccc([C@@H](C)C(F)(F)F)cc3)CC2)C1 1806015991 BNKYUIHFSFQBDD-OAQYLSRUSA-N 494.598 5.109 30 20 JKED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)/C=C/C3CCCCC3)[C@H]2c2cccnc2)c(Cl)c1 1808530523 PPCKNTQYNNXTDK-CEWJISETSA-N 477.008 5.063 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)[C@H]1c1cccnc1 1809687862 GYRMQYDPAMZSJO-PRCFCKQXSA-N 484.522 5.114 30 20 JKED C[C@H](CC(=O)N1CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]1c1cccnc1)c1ccccc1 1810271613 IEHVUSSIAUTMDC-FIYSCABWSA-N 489.736 5.332 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1 1810459491 XZEMADNTBILASB-FCEKVYKBSA-N 480.612 5.232 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1cccnc1 1810944740 YAIXABGROMXKLV-NFBKMPQASA-N 489.513 5.328 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccncc2-c2ccccc2)[C@@H]1c1cccnc1 1811159423 HDPYIUIAOHNCDG-SQHAQQRYSA-N 482.628 5.456 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3ccccc3)n3ccccc23)[C@H]1c1cccnc1 1811262727 CYJYDDLXSQYINY-NKQQYQHASA-N 492.623 5.533 30 20 JKED Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]2c2cccnc2)c(C)c1 1811785349 XWFWGXYVCQWTSB-IGKIAQTJSA-N 475.709 5.069 30 20 JKED C#CCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)[C@H]1c1cccnc1 1812054485 OELWWJNOENWKNN-QDPGVEIFSA-N 487.550 5.150 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cnc(CCCCC)s2)[C@H]1c1cccnc1 1812370945 UHBBCONFOUGJOA-ZJSXRUAMSA-N 482.694 5.583 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccnc1 1813748035 KPGUACTUMWOLTE-XXBNENTESA-N 470.013 5.056 30 20 JKED CCCc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cccc([C@H](C)C#N)c3)[C@H]2c2cccnc2)cc1 1813868378 MFLGIYIYLZZACA-KPGYKUMBSA-N 480.612 5.295 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)Cc3cccc(Br)c3)[nH]n2)C1 1814396536 HESHUOAESZVYCY-IERDGZPVSA-N 485.426 5.009 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)[nH]n1 1814442777 ZOGOYVSCIPUKIY-JOCHJYFZSA-N 491.592 5.372 30 20 JKED C=CCCC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccccc2[N+](=O)[O-])[nH]n1 1814445293 IOLGSCDGZOTURX-GOSISDBHSA-N 485.610 5.095 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(c4ccccc4)CCCC3)n[nH]2)cc1 1814682147 KHIWMWCEZVRAEO-VWLOTQADSA-N 481.600 5.028 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cccc(C(F)(F)F)n2)n[nH]1 1815880567 NQJDGSFPOYACIF-SFHVURJKSA-N 477.531 5.051 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn3cc(Cl)ccc3n2)n[nH]1 1818523326 TUVJRXSXZQMGGQ-LJQANCHMSA-N 468.989 5.009 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3sc4ccccc4c3Cl)n[nH]2)CCC1 1818607979 QCSUKPKSFGALAS-MRXNPFEDSA-N 467.982 5.278 30 20 JKED N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]43)n[nH]2)c1 1818930939 FFYIFFXGZLIEBR-FMRHZRETSA-N 459.594 5.194 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4sccc4s3)n[nH]2)cc1 1819029604 XNWARKNRALWCHI-KRWDZBQOSA-N 461.572 5.177 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COCc2ccc(C)c(C)c2)[nH]n1 1819306032 VDFKVHWFAILPBQ-VWNXMTODSA-N 464.610 5.004 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(OCC3CC3)cc2F)[nH]n1 1819309570 XHMFNXXICMIJMB-RDPSFJRHSA-N 480.584 5.412 30 20 JKED COc1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c1C 1819386387 MGMDZQDBSKIJHC-QFIPXVFZSA-N 480.685 5.084 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@H]2CNc3ccccc3C2)[nH]n1 1819554085 DZNQLZFNBBUPCY-HYBUGGRVSA-N 477.653 5.459 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)[nH]n2)c1Cl 1820219034 IZPALNSKVDVWBQ-HXUWFJFHSA-N 472.936 5.036 30 20 JKED Cc1ccc2oc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)c4cccc(C#N)c4Cl)n[nH]3)cc2n1 1820219180 MWHIHSIMVVQWJE-IBGZPJMESA-N 488.935 5.004 30 20 JKED C[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(C#N)c2Cl)n[nH]1)c1ccccc1 1820220939 JIVNZYJUGCAYMD-JTSKRJEESA-N 475.980 5.434 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3csc(-c4ccccc4)n3)[nH]n2)c1 1820485555 OUWBYAQWQIQTMV-JOCHJYFZSA-N 482.569 5.025 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(Cl)cccc3Cl)[nH]n2)cc1 1820548861 JLBZKHPXERIXKR-LJQANCHMSA-N 468.344 5.208 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]n1 1820976139 FMJMQTZNYFGHSQ-ODOSVJCGSA-N 488.032 5.296 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(OC(C)C)c(Cl)c2)n[nH]1 1821026606 GWBPWUOYYAAJAE-SFHVURJKSA-N 480.943 5.368 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2NC(=O)OC(C)(C)C)n[nH]1 1821156503 VUWVGMASJBKFTP-QFIPXVFZSA-N 493.608 5.256 30 20 JKED N#Cc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc4occc4c3)[nH]n2)c(Cl)c1 1821277493 AOHYRBODCPZSPR-OAQYLSRUSA-N 473.920 5.301 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/c2ccc(OC)cc2F)n[nH]1 1822253751 CXMPPDPWJNLMPO-SNJYYNDWSA-N 466.557 5.031 30 20 JKED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ccc(Br)cc3s2)[nH]n1 1822391233 CHBNUCJNZDEBDS-GOSISDBHSA-N 499.434 5.496 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3c(F)cccc3Cl)[nH]n2)c1 1823217562 NDZLCIHLLXPKSF-BTYIYWSLSA-N 479.943 5.449 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)[nH]n2)cc1C#N 1823294043 INJFPEGPMBFFKY-DVECYGJZSA-N 485.588 5.178 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)C1 1823702332 ZRGDVDYZLILAJO-FQEVSTJZSA-N 452.492 5.044 30 20 JKED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 1823978166 WDVUSBGLYSNQLC-DFBJGRDBSA-N 464.009 5.249 30 20 JKED Cc1cc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)CCc3cccc(C#N)c3)CC2)cc1F 1824054774 NIIBRWJSVKBGKJ-AREMUKBSSA-N 479.571 5.011 30 20 JKED CC#C[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(F)(F)F)CC1)c1ccc(O)cc1 1824876338 YEOJLCQEQFCGQJ-LADGPHEKSA-N 492.582 5.242 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C3CCCCC3)CC2)cc1C#N 1826284941 ULXROPBUBNPYEC-VWLOTQADSA-N 465.638 5.159 30 20 JKED CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1)c1ccccc1 1826312978 WDONUDGAPBODOD-BDYUSTAISA-N 475.608 5.053 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc4cccnc34)CC2)c1 1828039103 DFKZAELSQNQVEW-JIPXPUAJSA-N 480.612 5.409 30 20 JKED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3cc(Br)ccc3s2)CC1 1828599912 OVUDJVJAVNGQEJ-HXUWFJFHSA-N 487.463 5.311 30 20 JKED Cc1nc(C)c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCCC#C[Si](C)(C)C)CC2)s1 1828903659 CNHPNBZICFQYMR-QFIPXVFZSA-N 473.759 5.044 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCNc2ccc(C)cc2C)CC1 1828982377 GTTKLOXCIDTULY-HHHXNRCGSA-N 465.682 5.494 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3ccoc3cn2)CC1)c1ccccc1 1829035260 NZRCKXZXZUMHML-AHKZPQOWSA-N 483.612 5.258 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 1829071283 RWKGCZVVQCADKB-OAQYLSRUSA-N 487.666 5.299 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2Cl)CC1 1829151357 SQQUNRHEFTYKME-QHCPKHFHSA-N 474.121 5.019 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(F)ccc3F)CC2)c(Cl)c1 1829885549 RBOHZAQFKNBQJW-HSZRJFAPSA-N 471.935 5.037 30 20 JKED C[C@H](Sc1cccs1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)CC1 1829955067 CKWLHSPRUJEIFJ-AVRDEDQJSA-N 467.660 5.034 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4occ(Cl)c4c3)CC2)cc1 1830014883 BGZLCUIYQPTHHW-DEOSSOPVSA-N 475.976 5.505 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3F)CC2)c1 1830441325 USTITOFEVGQJFN-MHZLTWQESA-N 489.591 5.033 30 20 JKED O=C(CC1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830602439 YRQBHZRNDVCLOW-PMERELPUSA-N 498.667 5.136 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 1831377438 GIAKZLLXPOWNID-VWNXMTODSA-N 491.717 5.294 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)/C(C)=C/c2cccnc2)CC1)c1ccc(O)cc1 1832200496 REFCJNFXKLMJJA-BZXXVKJTSA-N 499.655 5.007 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc4ccn(C)c34)CC2)c1 1832632518 SHTGUJIAJJNROJ-ZBLYBZFDSA-N 482.628 5.352 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C34CC(c5ccccc5)(C3)C4)CC2)c1 1832635829 UQHDIBXPILGVCL-JZDPJBRYSA-N 495.667 5.669 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OCC4CC4)cc3)CC2)c1 1832683121 FPQPUVHIYTXHFU-PZGXJGMVSA-N 499.655 5.650 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)s1 1832701943 VCUYQZPHZKNTHA-HSZRJFAPSA-N 479.646 5.263 30 20 JKED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)CCCCCC(C)(C)C)CC2)CC1 1833291942 ZSORFFMAFOIVQL-UHFFFAOYSA-N 459.719 5.323 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)CC1 1838289704 WYPQYSVMBOSQLL-ZSQFBXSQSA-N 472.714 5.584 30 20 JKED CC#CC[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)CC2)CC1)c1ccccc1 1838417503 DPMZPVATXZUQTP-PIRIWWGTSA-N 492.704 5.399 30 20 JKED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccccc3Oc3ccccc3)C2)c(Cl)c1 1844867920 PIGWLQGBUGZFDC-UHFFFAOYSA-N 471.944 5.135 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)C1 1845123086 ZTZFUHDNUKRPBG-PZJWPPBQSA-N 466.025 5.213 30 20 JKED C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 8632983 ICKOMKKCARVFJD-OAHLLOKOSA-N 467.660 5.370 30 20 JKED Cc1cccc(N/C(S)=C(/C(=O)c2ccc(Br)cc2)[n+]2cccc(O)c2)c1C 10167719 UZNYLOSIRVMDBX-UHFFFAOYSA-O 456.385 5.110 30 20 JKED Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)C)cc2)[n+]2ccc(C(C)(C)C)cc2)c(C)c1 10168852 JQKMMMRURZDGJU-UHFFFAOYSA-O 459.679 7.063 30 20 JKED Cc1ccc(C)c(C(=O)/C(=C(\S)Nc2cccc(Br)c2)[n+]2ccc(N(C)C)cc2)c1 11085029 SNJRVEFDCCGZNN-UHFFFAOYSA-O 483.455 5.470 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)n(-c2ccccc2)c1C 12267226 CECOUDXSAUONFU-UHFFFAOYSA-N 476.993 5.146 30 20 JKED C=CCN(C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)c1nc(-c2ccccc2)cs1 14723479 MJVIKXSGFBNZTE-INIZCTEOSA-N 496.683 5.566 30 20 JKED COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1sccc1C#N 16580909 RKJRYXTUTAYYTF-UHFFFAOYSA-N 471.538 5.360 30 20 JKED Cc1cccc2c1N=C(O)/C2=N\Nc1ncnc2cc(-c3ccc(Br)cc3)sc12 19342646 XDEVSRVOTDKNEQ-UHFFFAOYSA-N 464.348 5.847 30 20 JKED COc1cc(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)ccc1OC(F)F 21334262 FODOLAJYDRGONN-PKNBQFBNSA-N 461.468 5.500 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)c2cnc3ccccc3c2C(F)(F)F)n(C2CCCC2)c1C 25987836 JNCGVSOPQYLPOV-UHFFFAOYSA-N 484.478 5.454 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccc(C(C)(C)C)cc2)c1C 28793546 XEYYTPSIGFFLQJ-UHFFFAOYSA-O 476.666 6.087 30 20 JKED Cc1ccc[n+](/C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)=C(/S)Nc2ccc(OC(F)(F)F)cc2)c1 28811096 PQELZAFCBIBPTI-UHFFFAOYSA-O 490.483 5.449 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)c2cc(Br)ccc2I)cc1 29153129 SZOIBZQWBFIQQC-UHFFFAOYSA-N 469.120 5.107 30 20 JKED CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1cn(CCC#N)c2ccccc12 57651370 QSILRPYELQTOEM-UHFFFAOYSA-N 472.570 5.185 30 20 JKED C=CCN(C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc(-c2ccccc2)cs1 69646387 QMRHKPRAGZXNMW-UHFFFAOYSA-N 474.607 5.617 30 20 JKED C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(N[C@H](C)c4ccccc4)cc3)ccc2c1=O 108713710 WNRSGRADBZOWHJ-QGZVFWFLSA-N 456.571 5.670 30 20 JKED N#CCCn1cc(C(=O)COc2ncnc3scc(-c4ccc(F)cc4)c23)c2ccccc21 247705515 DEWJMFFUHBZHSH-UHFFFAOYSA-N 456.502 5.627 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)c1 409979325 XDPRNORUURDQHE-UHFFFAOYSA-N 467.550 5.632 30 20 JKED CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 482099118 CBSNIPBRWXTYFA-UHFFFAOYSA-N 472.932 6.106 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)COc2ccc(Br)cc2F)cc1 490650806 ONAZXJQGLAGABI-UHFFFAOYSA-N 469.310 5.251 30 20 JKED N#Cc1ccccc1CSCCNC(=O)Cc1csc(-c2cccc(Br)c2)n1 498798993 MVWWDQIDCKVBPK-UHFFFAOYSA-N 472.433 5.036 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)COc1ccc(Oc2ccccn2)cc1 501146694 AXVMITOWTLAORL-UHFFFAOYSA-N 467.500 5.805 30 20 JKED O=C(C[S@](=O)Cc1ccccc1C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 501180644 HUJLCTMWBOLSRS-WJOKGBTCSA-N 477.348 5.630 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccccc2C(F)(F)F)cc1Cl 506402231 IEYZMTJJDNKHPT-FQEVSTJZSA-N 485.893 5.312 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 506441466 ZKNSTHNDCHEXOE-UHFFFAOYSA-N 498.352 5.237 30 20 JKED COc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cs2)cc1OC 510241048 KBIXGFSSCCAZEN-UHFFFAOYSA-N 485.565 5.981 30 20 JKED N#C[C@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccc(C(F)(F)F)cn1 513191421 MKIKWULNTFEWNK-HNNXBMFYSA-N 457.412 5.039 30 20 JKED Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 513978537 NYBUIOUNVXRQPE-UHFFFAOYSA-N 458.537 5.835 30 20 JKED Cc1ccc(-n2c(SCCC(=O)Nc3sc4c(c3C#N)CCC4)nnc2N2CCCCC2)cc1 514898053 MVBOHPXLYQHIAO-UHFFFAOYSA-N 492.674 5.109 30 20 JKED C=CCn1c(SCC(=O)N(CC)c2cccc3ccccc23)nnc1-c1ccc(OC)cc1 515303304 IEBMYXDYHYUEGT-UHFFFAOYSA-N 458.587 5.438 30 20 JKED N#Cc1c(NC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)sc2c1-c1ccccc1CC2 515625946 IJYQZTCXKPCJSR-FQRUVTKNSA-N 489.597 5.054 30 20 JKED N#CCCn1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 519947133 QOFPPEPMHLKJMR-UHFFFAOYSA-N 492.495 5.075 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 519979261 ZMDPWFHFJXDCLF-CQSZACIVSA-N 454.313 5.414 30 20 JKED C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 520411734 DJHAGZJUQUAABE-OAHLLOKOSA-N 468.340 5.815 30 20 JKED C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(NC(=O)c2ccccc2)c1 521738110 CKISTKMFMBYMHA-MOPGFXCFSA-N 486.597 5.007 30 20 JKED COc1ccc(C[C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2ccc(OC)cc2)cc1 521748773 IQAGATROMXZEJP-KBMIEXCESA-N 475.614 6.061 30 20 JKED Cc1csc(Sc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2[N+](=O)[O-])n1 600841999 XDLLXYZXXMKMOU-UHFFFAOYSA-N 456.574 5.575 30 20 JKED Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)cc1 603626593 CGMGRRLAHNCEJD-UHFFFAOYSA-N 484.537 5.107 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 603968455 ULEPOTAUFPADOZ-UHFFFAOYSA-N 473.579 5.364 30 20 JKED Cc1cccc(-n2ncc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)c2C(F)(F)F)c1 603996299 ICYZJROBDGMHCE-UHFFFAOYSA-N 458.509 6.044 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(CC(F)(F)F)CC3)cc2Cl)cc1 604090623 ZVHFJOCDXABCEP-UHFFFAOYSA-N 452.864 5.106 30 20 JKED Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[nH]c2c1 604510365 ULRDSMDGTPNRPA-SANMLTNESA-N 465.557 5.885 30 20 JKED N#C[C@@H](C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2cc(C(F)(F)F)ccc2s1 604523490 YJJFGWUJJOQFMA-ZDUSSCGKSA-N 474.445 5.837 30 20 JKED CC(C)(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccc(C(F)(F)F)c1 608901762 QXYPKHJXPRRCFM-FQEVSTJZSA-N 466.525 5.300 30 20 JKED Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)cc1 608995277 GYCZXOOEAKPHSZ-UHFFFAOYSA-N 482.584 5.066 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)C(=O)N[C@H]3CCSc4ccc(F)cc43)cc2Cl)c1 609085394 OXPFOCCPAMTVTC-NRFANRHFSA-N 495.963 5.222 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 609089079 NYVVBFPGSHHYTJ-LEAFIULHSA-N 497.595 5.011 30 20 JKED CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1 609097466 FWXOOPHUEDROMK-DEOSSOPVSA-N 458.949 5.096 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 609376559 CPKCMDNFWKPRFQ-SFHVURJKSA-N 458.612 6.131 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 613401812 OHSLOHNWJTYKRD-GOSISDBHSA-N 451.860 6.154 30 20 JKED Cc1nc(-c2ccc(F)cc2)sc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 613405212 VHUZQKZINOWXFK-CQSZACIVSA-N 461.465 6.376 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 613424508 VKMAZOFANRVGKT-KRWDZBQOSA-N 456.999 5.433 30 20 JKED O=C(Nc1nnc(SCc2ccc(F)cc2)s1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 618538801 AMXLORRSTMHHHF-PHIMTYICSA-N 488.454 5.564 30 20 JKED CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CCc2ccccc2)cn1 726113480 RZEUDUXDBNVVNH-VWLOTQADSA-N 497.624 5.259 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccnc(Cl)c2)c1 726198715 QXKVMNYCIYFGOY-UHFFFAOYSA-N 477.369 5.127 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCc2ccc(I)s2)cc1 727026571 DMZCUGYYXHUTKG-LJQANCHMSA-N 487.366 5.372 30 20 JKED Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)NCc2ccc(OCC#N)cc2)cc1C 727845477 NPSSNQCTOGBEAY-UHFFFAOYSA-N 479.584 5.400 30 20 JKED Cc1ccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1I 727988091 KJJAEEXMKDCQIC-FQEVSTJZSA-N 452.295 5.507 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCCCC#N)C2=O)cc1Cl 728779051 XAIJBWIEFNBQOV-HXUWFJFHSA-N 488.972 5.142 30 20 JKED N#C[C@@H](C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 729187247 WXCPINIYNUBDSW-PKOBYXMFSA-N 488.421 5.508 30 20 JKED Cc1occc1-c1nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c(=S)n1Cc1ccccc1 729467113 MLJDVSXSTWRZOZ-UHFFFAOYSA-N 485.613 5.403 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 730688027 RQDHAKQDMJDBCR-FZKQIMNGSA-N 456.424 5.230 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(Cc2cocn2)C1=O 730713616 UALCFMXLPYTRFO-NRFANRHFSA-N 498.992 5.114 30 20 JKED O=C(C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(Cc2cocn2)C1=O)Nc1ccccc1F 730720388 JURZACSIDLVZLA-GOSISDBHSA-N 493.347 5.281 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CCc1nc2cc(Cl)ccc2s1 731077065 FIYQFICNSZVQHB-AWEZNQCLSA-N 474.007 5.316 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C(C)(C)c1cccc(Br)c1 731077803 PIOMMQRSQJPPID-OAHLLOKOSA-N 475.408 5.303 30 20 JKED N#C[C@H](C(=O)c1sccc1S(=O)(=O)C(F)F)c1nc(-c2ccc(Cl)cc2)cs1 731136636 SASPGLXPCUPOTE-LLVKDONJSA-N 458.920 5.011 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(Cl)c1 731306577 WDVDWYBYEQYVJE-YCRPNKLZSA-N 480.977 5.162 30 20 JKED Cc1ccc2c(c1)CC[C@H]2N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731307399 RMHHSBIFSOLEIA-DNQXCXABSA-N 471.582 5.348 30 20 JKED O=C(C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CC(F)(F)F)C1=O)Nc1cccc(O)c1 731308758 NLAHRHUXLYZRDS-HNNXBMFYSA-N 492.306 5.222 30 20 JKED Cc1ccc([C@H](C)N2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)S/C2=N/[C@H](C)c2cccs2)s1 731311342 BSMRDZLIDUGYAQ-ATKDBBOXSA-N 499.683 5.975 30 20 JKED Cc1cc(C)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc3cccnc23)c(Cl)c1 744997854 WIJYCZPYZCNBRE-OAQYLSRUSA-N 493.032 5.305 30 20 JKED CC(=O)c1cccc(O[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 745313036 ITAOBVNRSJAORN-SCLBCKFNSA-N 459.354 5.963 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 747121885 MWJMUKAODYHVQY-UHFFFAOYSA-N 453.734 5.799 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1cscn1 747601856 HSOBVPKAAFZZDJ-QHCPKHFHSA-N 497.605 5.328 30 20 JKED CC(=NNc1ncnc2scc(-c3ccc(F)cc3)c12)c1sc(-c2cccnc2)nc1C 747611857 QMJBYLKPMCDYET-UHFFFAOYSA-N 460.563 6.160 30 20 JKED N#Cc1ccc(NC(=O)COC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 748579782 XILQBONCPXPGKL-CPNJWEJPSA-N 498.520 5.189 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(CC)c3)N(CC(F)(F)F)C2=O)cc1 799222608 CYKKYERHBLLZLX-IBGZPJMESA-N 479.524 5.170 30 20 JKED C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)nnc1-c1ccoc1C 825135048 CNMGABPXPTXQEY-UHFFFAOYSA-N 490.585 5.203 30 20 JKED O=C(C[C@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O)Nc1ccc(Cl)c(Cl)c1 837527845 AIJCPXPTPCXHOR-VQIMIIECSA-N 478.401 5.133 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2[C@@H](C)c2ccccn2)c1 838277377 NLKCKNBPFHBSMT-FDDCHVKYSA-N 458.587 5.366 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 838531387 NKIBHADAWPCSFE-VWLOTQADSA-N 496.592 5.404 30 20 JKED C=CCN1C(=S)N[C@H](c2ccc(O)c(OCC)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 839788169 ZWPXWXRMRGKLKP-OAQYLSRUSA-N 491.535 5.140 30 20 JKED COc1cc(C#N)ccc1OCCCc1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 904492996 XNIBDRHBRRDCEG-UHFFFAOYSA-N 465.513 5.026 30 20 JKED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccnc2)c1 913005339 RVGZLCLIARSAAM-UHFFFAOYSA-N 495.910 5.387 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2cccs2)c1 914691063 LCFAQDZBVFSFHG-OPAMFIHVSA-N 497.617 5.487 30 20 JKED CN(C)Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccccc2)c1 914691494 OLYRVGQGCYAVMR-DEOSSOPVSA-N 490.604 5.048 30 20 JKED C=CCn1c(-c2ccc(F)cc2)nn(CN(C)Cc2ccc(OC)c(OC(F)F)c2)c1=S 914784383 XAQHAKJSFRDQJZ-UHFFFAOYSA-N 464.513 5.106 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 915086124 HLANMDCLLMKVNT-MHZLTWQESA-N 487.625 5.088 30 20 JKED CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)ccc1Cl 915086333 TWZDSNAQBJVXKG-OAQYLSRUSA-N 482.005 5.325 30 20 JKED CS(=O)(=O)c1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)ccc1Cl 915656093 BGBNHCPCUYQHMZ-GOSISDBHSA-N 459.354 5.305 30 20 JKED Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 916088011 WESAVUOWEMZHNZ-UHFFFAOYSA-N 476.895 5.225 30 20 JKED CCOc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916137176 QZTFQMMXWBHLRT-OCKHKDLRSA-N 473.481 5.261 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(Cl)cc1 916212285 VWCCWKKCZLQZTQ-GOSISDBHSA-N 499.942 5.356 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2C)c1 916216826 ZQCLUSHLQHTWQX-DEOSSOPVSA-N 489.597 5.173 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2OC)SC1=Nc1ccc(Cl)c(Cl)c1 916217239 IQSPHJMCBNNUEV-LJQANCHMSA-N 494.400 5.157 30 20 JKED Cc1ccc(Nc2nc(Cl)c(C=Nn3cnc4sc(C)c(C)c4c3=O)s2)cc1Cl 916544387 HPMQARYQMYZJBF-UHFFFAOYSA-N 464.403 5.772 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])n1 916908323 HEBSXVRDBIJCLN-ZDUSSCGKSA-N 472.935 5.126 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 916911562 GVDIYZXLXISJKR-HXUWFJFHSA-N 462.962 5.572 30 20 JKED CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cc1OCC 916915726 IFDUTLDVRZIQMT-IBGZPJMESA-N 450.922 5.642 30 20 JKED N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(COc2ccc(Br)cc2)o1 916939775 SXIIWJOLBHPBCI-MRXNPFEDSA-N 491.700 5.375 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 916947779 BAJGTEIGUNTCPZ-OPAMFIHVSA-N 471.605 5.847 30 20 JKED Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C)[nH]c4ccc(Br)cc34)n2)cc1 916974743 OZCPZKBHNGDGJZ-IBGZPJMESA-N 464.388 6.090 30 20 JKED C=C(C)CN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 917358796 VMXVPLRGARSFBH-UHFFFAOYSA-N 461.798 5.486 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/c2cc(Cl)n3c(nc4ccccc43)c2C#N)cs1 917560466 ZROVHBUFCNPQPT-RMKNXTFCSA-N 487.947 6.463 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CC(F)(F)F)C1=O 917700085 HKURQFLHUOTPFG-FQEVSTJZSA-N 487.503 5.371 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccc(Cl)cc1 917701830 ALCJTYJZZJNRAB-JOCHJYFZSA-N 492.963 5.511 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccc1F 917702265 DRDGHEVVZQLHMI-QFIPXVFZSA-N 494.498 5.136 30 20 JKED Cc1ccsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N 917703517 NIZDAKBIHADUDR-HXUWFJFHSA-N 460.584 5.089 30 20 JKED C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918546946 HBWPIDPAGKKODO-KQMYFLNBSA-N 477.030 5.158 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 918623877 FHCITKUPODURCD-QHCPKHFHSA-N 473.916 5.054 30 20 JKED O=C(/C(=C\c1ccc(F)cc1)c1cccs1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 918672527 STCZNAADLKTUIM-HCWKHTBGSA-N 451.407 6.017 30 20 JKED COc1ccc(-c2csc3ncnc(NN=C4CCN(C(=O)CC(C)(C)C)CC4)c23)cc1 918711514 OPFLUXFBQWMOQW-UHFFFAOYSA-N 451.596 5.193 30 20 JKED N#C[C@H](C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)Nc1ccc(Cl)cc1 920107552 DOCVZVDEZYQWAB-OAQYLSRUSA-N 471.900 5.229 30 20 JKED CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc4c(c3)CCC4)N(Cc3ccco3)C2=O)cc1 920177159 XPSLQAIWXKKIFK-XMMPIXPASA-N 487.581 5.131 30 20 JKED COc1ccc(C2(C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)CCOCC2)cc1 920322852 AFRHIFVFFBLJPM-ZCUVORPTSA-N 476.642 5.544 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccccc2Cl)N(C[C@@H]2CCCO[C@H]2c2ccccc2)C1=O)NC1CC1 920354951 ISUSSVFBEXTRLY-OEOAZWSVSA-N 498.048 5.108 30 20 JKED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CCC3)n1 920766864 LRVAKQYEVNJBET-ZIBIDDQLSA-N 499.617 5.971 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC(=O)Nc2cccc3ccccc23)cc1C 920893815 HHXIPTNEXOKHNW-UHFFFAOYSA-N 452.514 5.029 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCCC5)cc2)cc1 921011414 UVZZCFYFBWHGMG-UHFFFAOYSA-N 470.554 5.511 30 20 JKED Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)o2)n1 921253695 UJEYAWYWOFATLF-HUUCEWRRSA-N 472.661 5.683 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(Oc3ccccc3)cc2)C1 1780878708 ZLSIWBAMXHIMIL-PVTPYKNESA-N 488.628 5.375 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)C2)C1 1781147537 SHTZKSMANMFNLX-LYZGTLIUSA-N 498.067 5.064 30 20 JKED Cc1nc2ccncc2cc1C(=O)NC1(c2ccc(NC(=O)CCc3cccc(C#N)c3)cc2)CCC1 1786040626 AREBCCGRPPUXPY-UHFFFAOYSA-N 489.579 5.190 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)CCC2)cc1 1786102909 CJHACKCRNQAHSN-RDPSFJRHSA-N 495.664 5.392 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)C3(Cc4ccc(C(F)(F)F)cc4)CCOCC3)CCC2)cc1 1787649495 HQAJLRHYCDNBQD-UHFFFAOYSA-N 499.533 5.092 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3cccc(O)c3)cc2)CCC1 1788150423 XNXWDAFJLLJGJK-HSZRJFAPSA-N 493.604 5.058 30 20 JKED Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C2(NC(=O)[C@H](S)C(C)C)CCC2)cc1 1788669875 GFBGEMIVRLGWNP-HSZRJFAPSA-N 463.603 5.352 30 20 JKED C=CC[C@H](CC(=O)NC1(c2ccc(NC(=O)[C@H]3CC=C(C)CC3)cc2)CCC1)NC(=O)OC(C)(C)C 1789114847 SCDAABNOLCJAIX-XUZZJYLKSA-N 495.664 5.726 30 20 JKED C=CC[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1789167783 PTIUBKPTVWRRAG-SFTDATJTSA-N 497.680 5.616 30 20 JKED COc1ccc(CC(=O)NC2(c3ccc(NC(=O)c4cc5sccc5[nH]4)cc3)CCC2)c(C#N)c1 1789370045 DIZZKZGMGHTIJQ-UHFFFAOYSA-N 484.581 5.100 30 20 JKED Cc1cccc(-c2cnccc2C(=O)NC2(c3ccc(NC(=O)C/N=C/c4ccco4)cc3)CCC2)c1 1789577520 CADJBUKFPXPRMV-KCSSXMTESA-N 492.579 5.517 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3c[nH]c4cccc(Cl)c34)CCC2)cc1 1789577840 NTELFFXLMPGOHE-CCVNUDIWSA-N 474.948 5.281 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H]4C[C@H]4c4ccccc4)CCC3)cc2)c1 1790076021 YJFFCIRWSSSTPR-IZZNHLLZSA-N 465.553 5.118 30 20 JKED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)CCC1 1790620977 UJUIDWOOMKILJE-NRFANRHFSA-N 468.553 5.265 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)CCC1 1790672388 BPCYGHAVGKVJAW-OAHLLOKOSA-N 478.898 5.145 30 20 JKED CCc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)cc4Cl)cc3)CCC2)cc(C)n1 1790766917 GVNMZJKPEIMWQU-UHFFFAOYSA-N 472.976 5.539 30 20 JKED CC(C)O[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc(C#N)cc(C(F)(F)F)c3)cc2)CCC1 1790785131 OBYLHSQFNGZQKM-MRXNPFEDSA-N 473.495 5.138 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)[C@@H](C)Nc4ccccc4)CCC3)cc2)c1 1790796058 UHHRRMLJJMJEER-HXUWFJFHSA-N 452.558 5.115 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5occc5c4O)cc3)CCC2)cc1 1790930811 JCHBSODNGGRJLJ-UHFFFAOYSA-N 465.509 5.266 30 20 JKED C=CC[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CCc3cncc(C(F)(F)F)c3)CCC2)cc1 1791252284 MAVPZGQCHXNSLU-KRWDZBQOSA-N 459.512 5.379 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)CCC2)cc1 1791730283 XVKSHBNGLXNGJR-HSZRJFAPSA-N 481.637 5.174 30 20 JKED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3scc(-c4ccccc4)c3[nH]1)C2 1793576345 VRSSIHYWFDWCAS-WKCHPHFGSA-N 477.630 5.131 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCCc1ccc(C(F)(F)F)cc1)C2 1798331889 AXBDZQLFIDFSEQ-BJESRGMDSA-N 462.556 5.435 30 20 JKED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCC#C[Si](C)(C)C)oc2ccccc12 1798419746 FYYKRWMMHMUVLA-WKCHPHFGSA-N 450.655 5.044 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn(C(C)C)cc1C(F)(F)F)C2 1798593149 WELIFCXGFPCIFM-BCDXTJNWSA-N 453.549 5.332 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3cccc(Cl)c3c2)[C@@H]1c1cccnc1 1802501070 RQZCMBCAVVNDTQ-CJFMBICVSA-N 491.035 5.595 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 1802726721 OVHFIPYALYENKG-ZDXQCDESSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc23)[C@@H]1c1cccnc1 1803090684 IGXPKINIOKATKN-CJFMBICVSA-N 477.008 5.304 30 20 JKED C#CCCCCC(=O)N1CC[C@@H](CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803997647 ALVDQUDEVSHOGN-DJRDNFGQSA-N 483.534 5.013 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccnc1 1805677766 GGMXPRIYVBSWLH-CUBQBAPOSA-N 498.627 5.105 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)C2(C(F)(F)F)CCC2)[C@H]1c1cccnc1)c1ccccc1 1806973440 GUJJOCNHYZNQMS-TZRRMPRUSA-N 497.561 5.017 30 20 JKED CC(C)=CCCC(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@H]1c1cccnc1 1807996953 IPFKWFSHFCLXCK-YKSBVNFPSA-N 484.522 5.038 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)[C@@H]1c1cccnc1 1810503228 OXJPCFAAHZCCSU-NBGIEHNGSA-N 492.570 5.220 30 20 JKED Cc1cc(C#N)cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc4cccc(F)c4s3)[C@@H]2c2cccnc2)c1 1811935425 AEYBFNDZQHBQLN-SQJMNOBHSA-N 498.583 5.249 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc3ccoc23)[C@@H]1c1cccnc1)c1ccccc1 1812230677 VITKJYHEVLRBPF-NSVAZKTRSA-N 491.591 5.345 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cc2ccccc2Cc2ccc(F)cc2)[C@H]1c1cccnc1 1812927607 HJMDNWPKKUXALO-JGNKLCKRSA-N 499.630 5.272 30 20 JKED C=C(C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c3ccccc23)[C@H]1c1cccnc1)C(F)(F)F 1814303637 UHBCPJLWVWMVAG-BKMJKUGQSA-N 495.545 5.300 30 20 JKED CC[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccc(C#N)c3)n[nH]2)CC1 1814739972 OKYLBUQAMOZEOT-ZFJSRUIDSA-N 461.610 5.123 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCCCCC(=O)OC(C)(C)C)[nH]n1 1815245755 AQNBZEHQKGSGDB-AUSIDOKSSA-N 494.702 5.039 30 20 JKED CO[C@@](C)(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](S)C(C)C)n[nH]1)c1cccc2ccccc12 1815246004 FFRIDZPGKCDUSN-LSCGWGKXSA-N 494.661 5.071 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(F)cc2C(F)(F)F)n[nH]1 1815546109 HHVXIJLDKRCKCG-AUUYWEPGSA-N 466.479 5.015 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3cccs3)n[nH]2)c1 1815994102 CYTZPLSCFPSRKL-VGOFRKELSA-N 461.591 5.037 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccccc3)n[nH]2)cc1C#N 1816793877 KQGACNNWDRFIFN-DEOSSOPVSA-N 485.588 5.007 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c(F)c(OC)cc(OC)c2F)n[nH]1 1817202317 FWEIRYYWJUTREC-MRXNPFEDSA-N 490.551 5.003 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2F)[nH]n1 1819386751 HBCUEYZSTWPYFB-NRFANRHFSA-N 472.612 5.045 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCNc2ccc(C)cc2C)n[nH]1 1819463688 LJNLCBDDPCGYQN-QHCPKHFHSA-N 465.642 5.513 30 20 JKED CC#CC[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCCc2ccncc2)[nH]n1)c1ccccc1 1819516687 KXKRRNVOJAZNAZ-AZGAKELHSA-N 483.616 5.017 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(Cl)cnc2OCC)[nH]n1 1819555491 JFAVLFUYNPQVEG-LJQANCHMSA-N 474.005 5.155 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncccc2C(F)(F)F)n[nH]1 1819901021 CJLKNMUYZHUYAI-KRWDZBQOSA-N 463.504 5.122 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccncc2-c2ccccc2)n[nH]1 1820004646 DSFDVXSZLZTHNS-BWKNWUBXSA-N 469.589 5.546 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(F)c(OCC)c(Cl)c2)n[nH]1 1821214450 LHKFTIHHRJHQSK-FQEVSTJZSA-N 474.964 5.100 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)[nH]n2)c1 1821272420 NSZMQOFUIQPGDR-RUZDIDTESA-N 481.531 5.122 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)n[nH]1 1821868582 DBKKDMNPUNNIKS-XMSQKQJNSA-N 485.028 5.016 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3c(Br)cccc3n2)[nH]n1 1821920382 HATGRRZWFCBPEZ-VFNWGFHPSA-N 496.409 5.239 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(OC)cc2OC)CC1 1823753387 LSGPJQHEZOOEAG-VWLOTQADSA-N 484.681 5.249 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)cc1 1823812430 SEKDJGWFWKQRET-LJAQVGFWSA-N 492.623 5.096 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)cc1 1823812649 USIVPSAFGXZSGF-GDLZYMKVSA-N 492.623 5.096 30 20 JKED C=CC[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2F)CC1 1823931457 BUXQCLYGMVDOBI-KKSFZXQISA-N 465.407 5.034 30 20 JKED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CCCCCCCCNC(=O)OC(C)(C)C)CC1 1824107225 YKQLVRWMMODQPC-XMMPIXPASA-N 491.717 5.438 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 1824141307 YTLWQBKUFPHCLQ-QFIPXVFZSA-N 463.544 5.102 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnc3cccc(Cl)c3c2)CC1 1824500018 BWJCGIXYKOTZEM-RUZDIDTESA-N 484.040 5.104 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3cccc(F)c3s2)CC1 1824959341 WXXYNYQFLDVMPI-FQEVSTJZSA-N 460.640 5.193 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC3CCCC3)CC2)cc1C#N 1826265440 UWMPADSHAKLZFY-RUZDIDTESA-N 465.638 5.159 30 20 JKED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(Br)c4ccccc34)CC2)CC1 1826682950 PWTYLTAFNAIGOZ-HSZRJFAPSA-N 494.433 5.139 30 20 JKED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCCCCCCCc2ccccc2)CC1 1826693797 IVKPXFNXAYRVPV-HHHXNRCGSA-N 465.682 5.883 30 20 JKED CC(C)(C)c1ncccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1827298606 TYSMDNVXWGDLNB-QHCPKHFHSA-N 493.051 5.451 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(CC)nc3ccc(Cl)cn23)CC1 1827531053 SMTFRBWGCLLEFH-VWNXMTODSA-N 497.083 5.552 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 1828139707 QIOCSQDHVVZJKF-JYFHCDHNSA-N 463.622 5.178 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1828824816 OPCIPNAZQWFDQS-JXRJAUPSSA-N 489.704 5.753 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ncccc2C(F)(F)F)CC1 1829387679 CIJBRFMORPECTH-NRFANRHFSA-N 463.544 5.102 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)c1 1829676415 ZYZWKAKTHRVPKZ-RUZDIDTESA-N 480.008 5.076 30 20 JKED CCCCCc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)s1 1829956579 LESHYPZFTPQBBH-QHCPKHFHSA-N 478.662 5.295 30 20 JKED N#Cc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)CC2)cc1 1829968482 SPSLCDBGQFBLHQ-VWLOTQADSA-N 464.009 5.078 30 20 JKED CCOc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)c1 1830108890 UUINLWHCQFZACT-SANMLTNESA-N 482.741 5.370 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 1830416616 KPZFSAQNCLPYQW-HRAATJIYSA-N 468.425 5.028 30 20 JKED O=C([C@H]1CCC=CO1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601794 IWPOFGHZXZBZNS-FQLXRVMXSA-N 482.624 5.012 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1 1830717617 YETWSDGFQPRFRU-SANMLTNESA-N 459.565 5.122 30 20 JKED C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2Cl)CC1)c1cccs1 1830724037 RIIIBVLMUHFPCX-JTSKRJEESA-N 470.038 5.310 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 1830771021 MQPFAGRGAZZLAS-HSZRJFAPSA-N 467.972 5.206 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc4ccc(Br)cc4c3)CC2)C1 1830875511 UFNFJVAGSGRHPV-DEOSSOPVSA-N 496.449 5.197 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccnc3ncccc23)CC1)c1ccccc1 1830919575 VFFJFKOYPXFEAZ-LBNVMWSVSA-N 494.639 5.060 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)CC1 1831844574 BMKHFBHTOSIVDH-WDNCENIBSA-N 486.628 5.436 30 20 JKED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C)c2Cl)CC1 1832562630 WLSSIGZXDIAVRK-DYESRHJHSA-N 467.437 5.126 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(Cl)o3)CC2)cc1C#N 1832703491 MEGXZIPQOKXWLX-NRFANRHFSA-N 483.996 5.139 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1C#N 1832704806 VMFWPXWIQDJBCB-JCYYIGJDSA-N 499.655 5.382 30 20 JKED C=CCSCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(Cl)c2Br)CC1 1832722630 VAAMBMZWEZFWDZ-LJQANCHMSA-N 499.902 5.255 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC=C(C)C)CC1)NC(=O)OC(C)(C)C 1832757264 RGWAPZIRRFEPIC-RPWUZVMVSA-N 489.701 5.212 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1)c1ccccc1 1837685059 GRVTVAHKIMCYKC-DWACAAAGSA-N 487.644 5.000 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(C(C)C)n2Cc2ccco2)n(C2CCCCC2)c1C 10934953 PXEIPZZAUWZPDS-UHFFFAOYSA-N 480.638 5.569 30 20 JKED CCc1cc2c(=O)n(CCc3ccccc3)c(S[C@@H](C)C(=O)Nc3ccccc3C#N)nc2s1 11206124 SSZDUYDTDALMHC-KRWDZBQOSA-N 488.638 5.254 30 20 JKED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)c1 21644712 CKGRBPGTELVBTM-NRFANRHFSA-N 485.613 5.631 30 20 JKED N#CCn1c(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)nc2ccccc2c1=O 22679412 ZLFZUJNJOBBDDT-UHFFFAOYSA-N 484.972 5.113 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(OC)cc2)cc1 22731213 FPJJQORCQVPODK-UHFFFAOYSA-O 469.577 6.215 30 20 JKED Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 29985951 CNJOXECAQCSFIO-UHFFFAOYSA-N 494.595 5.243 30 20 JKED O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(COc2ccc(F)cc2)o1 32041965 DPBZSUKHGWEWOI-RYUDHWBXSA-N 453.354 5.637 30 20 JKED Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1Sc1ccccc1C#N 36333333 XSGSCAYDSSNMDO-UHFFFAOYSA-N 480.387 5.149 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 107806096 FDSNZHMSDUBVHV-UHFFFAOYSA-N 477.933 5.488 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 109251096 XABVXAVQIZYWNV-UHFFFAOYSA-N 460.452 5.118 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 116831494 ZGUNQPFQUODAON-UHFFFAOYSA-N 453.999 5.021 30 20 JKED N#Cc1ccccc1CSCCNC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 195687259 ANIAIAFJRNSNAK-XTEPFMGCSA-N 483.637 5.088 30 20 JKED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 476886027 XOZDHYFLZXTFCU-UHFFFAOYSA-N 483.399 5.765 30 20 JKED N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 488253746 SWIMZQLCWBXBBU-UHFFFAOYSA-N 479.561 5.979 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1C 494047256 GWFSRGFVDLENQS-UHFFFAOYSA-N 456.468 5.251 30 20 JKED Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCNC(=O)c1ccc(Br)cc1 501159870 JXVJRAYVSHPSIU-UHFFFAOYSA-N 494.364 5.122 30 20 JKED CC(C)c1ccc(-c2nc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cs2)cc1 501717459 OMTYEKFWUIUAGN-UHFFFAOYSA-N 458.587 5.296 30 20 JKED N#Cc1cn(CC(=O)Nc2cccc(Oc3ccccc3)c2)c2ccc(Br)cc2c1=O 502818779 UZZYJJBCFFUDFA-UHFFFAOYSA-N 474.314 5.067 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1cccnc1 503718510 SSHVAERPELMADF-NRFANRHFSA-N 469.614 5.236 30 20 JKED COc1ccc(CCC(=O)N2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc1 508262965 CPBUWVYIOXUYMV-UHFFFAOYSA-N 498.583 5.058 30 20 JKED COc1cccc(/C=C(\CC(=O)N2CCN(c3ccccc3C#N)CC2)c2nc3ccccc3s2)c1 509096881 XJSMVKWFSYXTIO-HAVVHWLPSA-N 494.620 5.456 30 20 JKED CCc1oc2ccccc2c1CN(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 510161746 SXCPRFIUUDVXOO-UHFFFAOYSA-N 463.588 5.675 30 20 JKED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 511787229 QAKXUIWKUXDNPU-WINIVTDRSA-N 467.569 5.597 30 20 JKED C=CCN(C(=O)c1ccc(C(=O)N(C)C)nc1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 512046532 TZEOXLOTNGURFV-UHFFFAOYSA-N 475.401 5.355 30 20 JKED Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)cc2)cs1 514547813 CTTYRGAZKXDYSY-QGZVFWFLSA-N 497.580 5.302 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 514935682 ACVVBAKUADFHPM-HXUWFJFHSA-N 456.974 5.379 30 20 JKED COc1ccc(CCCN(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 517729282 VRGXAGVRKTUYJR-UHFFFAOYSA-N 477.948 5.042 30 20 JKED Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc2nc(C(F)(F)F)ccc12 517800903 NZZUZCLENOTMEL-OAHLLOKOSA-N 468.485 6.109 30 20 JKED Cc1ccc(C)c(Oc2ccc(CNC(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cn2)c1 517854512 WRILNRDOPIDTBI-UHFFFAOYSA-N 492.535 5.410 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)N[C@@H](c3ccccc3)c3cc4ccccc4o3)CC2)c1 517912304 YODHFXYTPWKOBQ-MHZLTWQESA-N 451.526 5.647 30 20 JKED Cc1ccc(C(=O)N[C@@H](CC(=O)N(Cc2ccco2)c2ccccc2C#N)c2ccccc2)cc1 517935308 RPTNRLAKMQNNLK-SANMLTNESA-N 463.537 5.554 30 20 JKED N#C[C@H](C(=O)c1csc(I)c1)c1nc(-c2c(F)cccc2F)cs1 518094419 DYLYPKNZKFZHEP-SECBINFHSA-N 472.279 5.244 30 20 JKED Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)cc1 518739078 MMYSHODGAYBWLT-IBGZPJMESA-N 479.627 5.467 30 20 JKED N#Cc1ccccc1N(Cc1ccco1)S(=O)(=O)c1cc(Br)ccc1Br 519882874 GGQHFWAARDNRIV-UHFFFAOYSA-N 496.180 5.072 30 20 JKED N#Cc1ccc(Cc2cnc(NC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)s2)cc1 519970141 XZYSBAASCVFPKF-VWLOTQADSA-N 450.567 5.785 30 20 JKED C=CCN(CC(F)(F)F)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 520168073 JWESNOYNRWGRGE-UHFFFAOYSA-N 455.274 5.200 30 20 JKED Cn1c([C@H](C#N)C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)nc2ccccc21 520659525 DKXLKFKXHMNUDF-HXUWFJFHSA-N 460.493 5.050 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 521329595 IYUDCGCEUGHRPM-CQSZACIVSA-N 484.672 5.542 30 20 JKED N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)c1 523187959 APWYPDHBGFGYMJ-YGOYIFOWSA-N 465.981 5.435 30 20 JKED C[C@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1c(Cl)cccc1Cl 523577952 NASKMOHSASGMAN-CQSZACIVSA-N 473.360 5.249 30 20 JKED N#Cc1ccc(OCc2ccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)o2)cc1 524138475 QUDYCGQDCNEVCS-UHFFFAOYSA-N 474.904 5.238 30 20 JKED Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2cccs2)n1C 558999549 GATJUQLEDHSYPA-UHFFFAOYSA-N 477.590 5.188 30 20 JKED C=CCN(C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21)[C@@H](C)c1cccc(-n2cnnn2)c1 561394148 ILDGXAWEOKQPLL-FNZWTVRRSA-N 480.572 5.112 30 20 JKED COc1ccc(C(=O)N2CCC(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)CC2)c2ccccc12 603527350 LBEIAYVAZGRYKV-UHFFFAOYSA-N 469.585 5.009 30 20 JKED Cc1csc(Sc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)cc2[N+](=O)[O-])n1 603613708 OONCEPZXMYPNFV-ZDUSSCGKSA-N 485.497 5.746 30 20 JKED Cc1sc(NC(=O)COc2ccc(C(=O)Nc3sc(C)c(C)c3C#N)cc2)c(C#N)c1C 603728879 VJRCKKJKIXKVKV-UHFFFAOYSA-N 464.572 5.056 30 20 JKED CN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 603829408 VJTGIICYTTUAQV-UHFFFAOYSA-N 464.403 5.673 30 20 JKED CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 604104262 CCPVWERJCYYJFM-LJQANCHMSA-N 458.537 5.632 30 20 JKED Cc1sc2ncnc(N3CCC(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)CC3)c2c1C 604290598 URNLWYJZOOGVKV-CYBMUJFWSA-N 465.648 5.221 30 20 JKED COc1ccccc1[C@H]1CCCN1C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 609054179 WXUIFJJCAJVYKB-LADGPHEKSA-N 473.960 5.306 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 609079312 VOOJGCZGLYDRGV-AREMUKBSSA-N 473.548 5.798 30 20 JKED CCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cnn1-c1ccc(F)cc1 609104463 FXFLHXIAVALDNG-UHFFFAOYSA-N 458.468 5.416 30 20 JKED CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1cc2ccccc2n1CC#N 609175746 ZZHRLUPGFUXKLQ-UHFFFAOYSA-N 476.886 5.326 30 20 JKED CN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1F 609216325 LPVPQZUZFCLDAI-UHFFFAOYSA-N 464.503 5.643 30 20 JKED COc1ccc([C@@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)N2CCCCC2)cc1 609398807 SXVVMUMLRQLQBU-WMZHIEFXSA-N 452.624 5.296 30 20 JKED CC(C)c1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C#N)c(Cl)c2)cc1 726404170 SNFYAZAESKETIR-JOCHJYFZSA-N 481.021 5.135 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CC1)c1cccs1 726420825 JJNYBFOGNNFINL-OFZVJMGQSA-N 478.437 5.063 30 20 JKED COc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)S/C2=N/[C@@H](C)c2cccs2)c1 726421523 QVWSXARATFMQML-ZRGIPMBISA-N 497.617 5.486 30 20 JKED CC(=O)N(c1nc(COC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cs1)c1ccccc1F 728371658 CGLZUNLNJQQWSD-UHFFFAOYSA-N 488.544 5.603 30 20 JKED CS(=O)(=O)c1ccc(/C=C2/CCc3nc(-c4ccc(Br)cc4)sc3C2=O)cc1 728438455 FSIYUIAHWYCPTI-QINSGFPZSA-N 474.401 5.189 30 20 JKED C#Cc1cccc(N(C)C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 728536560 NBICMADTHWQGPL-UHFFFAOYSA-N 459.354 5.052 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C(=O)N2CCCCC#N)cc1 728779029 WRWXNEUHIUXOSQ-FQEVSTJZSA-N 499.980 5.211 30 20 JKED CC(C)n1c2ccccc2n2c(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)nnc12 729236434 JCEBXBHPYYMCIG-OAHLLOKOSA-N 478.647 5.586 30 20 JKED COCCCn1c(-c2ccccc2Cl)nn(CN2CCC(Oc3cccc(C#N)c3)CC2)c1=S 729472143 HQJHRJKXBLQYOU-UHFFFAOYSA-N 498.052 5.144 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ncccc2C)c1 729632938 TXIUVGDEUJVWCN-DEOSSOPVSA-N 490.604 5.615 30 20 JKED CC(C)(C)OC(=O)N[C@H](CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1 729892559 BVNSXPLQFNQHBQ-FGZHOGPDSA-N 486.597 5.904 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3cccc4ccccc34)C(=O)N2Cc2cocn2)c1 730726640 JAEJNVOBOBUWPB-QHCPKHFHSA-N 488.544 5.436 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1sccc1-c1ccc(F)cc1 731079515 XKPMTCBSFOYDKD-HNNXBMFYSA-N 454.548 5.601 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@H](C)Cc2ccco2)cc1 731305338 JSRKYUSUGOKLNC-HXOBKFHXSA-N 477.586 5.139 30 20 JKED C[C@@H](CCc1ccco1)N1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1 731307146 PRTFIDSRJITBNE-AOMKIAJQSA-N 481.549 5.106 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@H](C)Cc1cccs1 731308981 PAVKSUBJDDOFIE-ZHRRBRCNSA-N 495.626 5.054 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)o1 731310682 NIMIPHUFNNNPPO-NFHUAXAMSA-N 493.560 5.408 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 731400872 WQABQWSZLUYAKV-ORAYPTAESA-N 457.905 5.306 30 20 JKED COCCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C)cc1C 746696174 KJXHPKARQNKYBE-JOCHJYFZSA-N 453.608 5.080 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CCCOC2CCCC2)C1=O 747043872 MWWBZNNJILPNNV-DEOSSOPVSA-N 495.645 5.313 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCc2nccs2)c1 747598507 BYMKUGPRDJYGSC-JOCHJYFZSA-N 492.670 5.580 30 20 JKED O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 797093579 UONKXOJSZSOYBA-JLHYYAGUSA-N 456.564 5.020 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1cccc(Cl)c1 799222223 YHYNIOCRSTZOIE-MRXNPFEDSA-N 466.777 5.240 30 20 JKED C[C@@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 813319494 IXNSJSMYVGLBLY-OAHLLOKOSA-N 456.889 5.006 30 20 JKED C[C@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1F 838543620 WUBPEUVKIGAOEN-QVKFZJNVSA-N 466.513 5.081 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2[C@H](C)Cc2ccco2)cc1 914694427 JRSWPUFCRIVRKK-DVECYGJZSA-N 491.613 5.497 30 20 JKED COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(CC3CCC3)C2=O)c1 915112411 YUEMDXHBGQRNAX-NRFANRHFSA-N 488.009 5.118 30 20 JKED CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 915179725 HDBIRHVPBKBXLT-DEOSSOPVSA-N 455.539 5.119 30 20 JKED Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)COC(=O)c3cc[nH]n3)c2C#N)C(C)(C)C1 915427272 HGLOYRSSZZZULY-SNAWJCMRSA-N 478.599 5.286 30 20 JKED COCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C(F)(F)F)c1 916217368 LQIATVAMIUXURR-FQEVSTJZSA-N 493.551 5.319 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(Cc3ccccn3)C2=O)c1 916217696 VCWYNJSWQPWLRE-HSZRJFAPSA-N 472.614 5.476 30 20 JKED Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=Nn1cnc2sc3c(c2c1=O)CCCC3 916288819 WXPPHXPLZZDEQB-UHFFFAOYSA-N 472.401 5.079 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1Cl 916684274 WAGNPLZZHSSBPV-AZGAKELHSA-N 459.977 5.973 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 916901427 HQSMWFCWJBNCJO-KRWDZBQOSA-N 467.978 5.287 30 20 JKED N#C[C@@H](C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 916943245 UBEOMYBXSBQTBP-FCHUYYIVSA-N 480.351 5.202 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 916947460 KUKKOEAOJXXZKP-XZZVZQAVSA-N 467.569 5.409 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)n2)cc1 916972095 KHUSSQHLHJBMQD-RPBOFIJWSA-N 495.604 5.833 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)n2)cc1 916974140 DXZRXMHSKVDPDY-FYYLOGMGSA-N 457.599 5.464 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 916976744 GDTWNYFQBBWCDU-OAHLLOKOSA-N 456.017 6.376 30 20 JKED CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995797 HYVRJCMUBMBVMX-WMLDXEAASA-N 450.391 5.330 30 20 JKED N#C[C@@H](C(=O)C[C@@H]1Oc2ccccc2NC1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 916996651 NGPLPENAWMAOTL-DJJJIMSYSA-N 458.326 5.083 30 20 JKED N#C[C@H](C(=O)C1=Cc2cc(Br)ccc2OC1)c1nc2cc(C(F)(F)F)ccc2s1 917042273 AHDNRHLQGOHWJR-CQSZACIVSA-N 479.277 5.730 30 20 JKED CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917045243 YOKOWSGHIBFNTF-IRXDYDNUSA-N 492.498 5.299 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2)cs1 917562803 KOKRVVQFBIFKMG-LFIBNONCSA-N 472.541 6.442 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N(C3CCN(CC4CC4)CC3)C2=O)cc1 917669082 NIFPMKZZJQNPFK-RUZDIDTESA-N 490.673 5.138 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCO[C@@H]2CCCC[C@@H]2C)C1=O 917675509 MCTZBNCIGNZCEO-KWOQKUFVSA-N 495.645 5.251 30 20 JKED CCC(=O)Nc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)c1 917675519 MFUAGLIOPCWAJJ-QHCPKHFHSA-N 486.597 5.196 30 20 JKED CCc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccccc2)s1 917675712 XUAVYUGJCPVXDK-JOCHJYFZSA-N 479.627 5.480 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)c1 917677700 IFZVSILKTRPERD-HXUWFJFHSA-N 469.563 5.056 30 20 JKED N#Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC1CCC1 917703957 SKZYUCKLUTYKHP-FQEVSTJZSA-N 486.519 5.337 30 20 JKED N#Cc1c(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)sc2c1-c1ccccc1CC2 917775064 WERKUSFTGVBCRT-XMMPIXPASA-N 476.557 6.092 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1c(SC(F)F)nc2ccccc21 918113212 OAWQATGPGKDXIB-UHFFFAOYSA-N 465.485 5.357 30 20 JKED N#C[C@H](C(=O)COc1ccc2cc(Br)ccc2c1)c1nc(-c2ccncc2)cs1 920268876 RXEZFWSKNPQJTJ-LJQANCHMSA-N 464.344 5.376 30 20 JKED Cc1noc(C)c1CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)CCC2 920360643 ZNCGKZIRHJORSY-HSZRJFAPSA-N 492.576 5.080 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1-c1cccc(C)c1)C2 1779510683 OEDDJVCRPQOMTG-FYBSXPHGSA-N 489.660 5.177 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cnc5cc(Br)ccc5c4)CCC3)cc2)C1 1785810286 LONALWKSWJSMJF-UHFFFAOYSA-N 490.401 5.711 30 20 JKED N#Cc1cccc(CCC(=O)Nc2ccc(C3(NC(=O)c4c(Cl)cncc4Cl)CCC3)cc2)c1 1786039180 VLSMFUDFBCOQEO-UHFFFAOYSA-N 493.394 5.641 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C3CC3)cc2)CCC1 1786182472 WWGGUTHHQYIPFS-BJKOFHAPSA-N 495.664 5.582 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CCC2)cc1 1786370530 CTWSGQNVVMILEZ-MRXNPFEDSA-N 485.506 5.526 30 20 JKED N#CCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(Cl)c5c(nc4c3)CCCC5)CCC2)cc1 1787647301 AGCOJIJWFYJZDL-UHFFFAOYSA-N 472.976 5.428 30 20 JKED COc1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(C#N)nc4C(F)(F)F)cc3)CCC2)c1 1788359089 UUAOICGQAFKQCG-UHFFFAOYSA-N 494.473 5.042 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Cl)nc4n[nH]cc34)CCC2)cc1 1789451953 XGPBTAIKTBICNS-GOSISDBHSA-N 463.969 5.127 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1789456470 UQUOZGPPKANRBV-QHCPKHFHSA-N 494.595 6.339 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4cnc(Cl)c(Cl)c4)cc3)CCC2)cc1 1789739318 FZNNVGUENZRNAM-UHFFFAOYSA-N 465.340 5.322 30 20 JKED N#Cc1cccc(C(=O)Nc2ccc(C3(NC(=O)[C@@]4(F)CCCC=C4F)CCC3)cc2)c1Cl 1790083442 HHYZUVJSHUDBQN-RUZDIDTESA-N 469.919 5.705 30 20 JKED O=C(C/N=C/c1ccco1)NC1(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CCC1 1790267313 LYJKVWJMWVSBDQ-MZJWZYIUSA-N 470.356 5.453 30 20 JKED COc1ccc(CC(=O)Nc2ccc(C3(NC(=O)c4ccccc4Cl)CCC3)cc2)c(C#N)c1 1790474517 JKZXEWCYDKOQDN-UHFFFAOYSA-N 473.960 5.211 30 20 JKED N#Cc1cc(CC(=O)Nc2ccc(C3(NC(=O)[C@@H](F)c4ccccc4)CCC3)cc2)ccc1F 1790520981 FHRRQMNYJIVDPO-VWLOTQADSA-N 459.496 5.085 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H]4CNc5ccccc54)CCC3)cc2)c(Cl)c1 1790767319 YMARGBOMRJMHIL-QFIPXVFZSA-N 470.960 5.169 30 20 JKED CC(C)c1cc(Br)cc(C(=O)Nc2ccc(C3(NC(=O)CC#N)CCC3)cc2)c1 1790800460 KHAPGRXFKSNGBN-UHFFFAOYSA-N 454.368 5.234 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)c3cn4cccc(Br)c4n3)cc2)CCC1 1790924055 FKZCPRHQABGTFQ-UHFFFAOYSA-N 493.405 5.038 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)CCC2)cc1 1791726687 FTLFPCYUNSIVHP-FGZHOGPDSA-N 495.664 5.350 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)c3sc(-c4ccccn4)nc3C)CCC2)cc1 1791727445 QONGJSJLYXOGEH-UHFFFAOYSA-N 472.614 5.455 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2ccc(C3(NC(=O)[C@H](S)C(C)C)CCC3)cc2)cc1C#N 1792169273 CMGGJAIMLMPZAU-HSZRJFAPSA-N 465.619 5.048 30 20 JKED Cc1ccc(CCC(=O)NC2(c3ccc(NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)CCC2)cn1 1792169483 MPHZUDCHOSKCAI-UHFFFAOYSA-N 496.611 5.429 30 20 JKED CC#C[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)sc1Cl)c1ccc(O)cc1 1798986342 WUZQPJQJEKFJAV-FJIDUMEYSA-N 491.440 5.210 30 20 JKED CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(O)c2cc1OC)c1ccccc1 1801043912 CXCILQCOWKADSE-NDBXHCKUSA-N 496.607 5.003 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3sccc3c2O)[C@H]1c1cccnc1 1802500764 OLBVVRNKEIKQES-CVDCTZTESA-N 477.630 5.314 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)[C@H]1c1cccnc1 1803083550 FVYAFZVFHAUCEG-RLWLMLJZSA-N 491.035 5.613 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)CCc2ccc(C)c(F)c2)[C@H]1c1cccnc1 1803499668 BAPIPCBDAWBJRV-JYFHCDHNSA-N 465.613 5.160 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC2)C1 1804858862 QPNQVHHFJZWMSK-OAQYLSRUSA-N 491.717 5.149 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)C1 1805457191 XJFAMGCXEFDUGU-UHFFFAOYSA-N 487.566 5.800 30 20 JKED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)CC2)C1 1806019411 PMFZYUSYZRXBIG-UHFFFAOYSA-N 493.475 5.239 30 20 JKED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)C1 1806026531 SZOCMFJIMAHAEN-LJQANCHMSA-N 470.997 5.036 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccc(N(C)C)c3ccccc23)[C@H]1c1cccnc1 1809212480 LIIPXGIOMHZVAZ-QDPGVEIFSA-N 498.671 5.613 30 20 JKED Cc1cc(Cl)cc(C(=O)N2CC[C@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810276751 IWLCXTWRIZTEKW-GJZUVCINSA-N 496.127 5.414 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccnc(C(C)(C)C)c2)[C@H]1c1cccnc1 1810494379 DXPUHPLSQQKYNE-VWNXMTODSA-N 462.638 5.086 30 20 JKED O=C(C#CC1CC1)N1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[C@H]1c1cccnc1 1812522495 NMIDXWFNBHEBKV-YIXXDRMTSA-N 490.047 5.056 30 20 JKED C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)c2ccccc2n3CC)[C@@H]1c1cccnc1 1813052127 CEXNNHZUVCWVGS-AYWVHJORSA-N 492.623 5.333 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1813227053 XUBDRKPHURXJSJ-PWUYWRBVSA-N 481.596 5.387 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(Cl)c2)[C@H]1c1cccnc1 1813837663 IQWUCUJLWNMDDW-TUACAJSNSA-N 451.998 5.131 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1814830113 PKKRKDZYBNSNKS-QFIPXVFZSA-N 487.629 5.951 30 20 JKED CC(C)[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)[nH]n1)c1ccccc1 1814931909 SQGFFFFKOCJELT-NOZRDPDXSA-N 455.562 5.027 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1 1818441453 RAEBNQGLEVGGON-XDHUDOTRSA-N 485.613 5.249 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3cccnc3s2)n[nH]1 1818573830 KSYHTQSAKJKYNY-HXUWFJFHSA-N 493.709 5.376 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)Sc2cccs2)[nH]n1 1819307456 UXIXPEHSMFERTG-SCTDSRPQSA-N 458.653 5.413 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cc2ccc3ncccc3c2)[nH]n1 1819552781 BCCQDHQHFLPBEL-QHCPKHFHSA-N 459.594 5.185 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccncc2C(F)(F)F)[nH]n1 1819554188 JTCMSWMXQSLRCF-GOSISDBHSA-N 463.504 5.122 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc1Cl 1820548647 KCHQHKZBQUGRMH-JOCHJYFZSA-N 491.979 5.342 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]n1 1820977774 YCKRXIYFGSJKJI-FZKQIMNGSA-N 499.921 5.189 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)[nH]n2)c1 1821273198 BYVVFGMDDHLXQG-FQEVSTJZSA-N 485.441 5.059 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2cc(Cl)ccc2Cl)n[nH]1 1821790112 JJRMZRZNKGULHF-OAQYLSRUSA-N 493.435 5.324 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc3ccc(Br)cc23)[nH]n1 1821925768 ZGSYKZTVFGOGJB-YCRPNKLZSA-N 496.409 5.239 30 20 JKED CCCCC[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1822006187 ZGIDMWLCGLZDIE-FJHQEINZSA-N 456.612 5.119 30 20 JKED CCCCCc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](C)ON=C(C)C)[nH]n2)cc1 1822284810 DPWHTBCRLZZLFB-YKSBVNFPSA-N 481.641 5.178 30 20 JKED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)[nH]n1 1822399434 BJIRZFOVPNAUBR-FQEVSTJZSA-N 465.941 5.132 30 20 JKED COc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1Cl 1823245255 MAHKQGUZXJLBEB-OPAMFIHVSA-N 491.979 5.318 30 20 JKED CC(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)[nH]n2)cc1C#N 1823290738 NNUJHOVENBONAH-PSVMIJIFSA-N 483.572 5.088 30 20 JKED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CCc3cc(Cl)ccc3Cl)[nH]n2)CCC1 1823381110 YLRRUCLGTDPLGH-LJQANCHMSA-N 474.392 5.035 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C3(c4ccccc4F)CC3)n[nH]2)c(Cl)c1 1823447813 DVOJLPUZFKLRKB-JOCHJYFZSA-N 491.954 5.112 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1824500141 CWFBSJNDFJNULK-NRFANRHFSA-N 467.437 5.210 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1824538205 JBCSWDBBDQAOLP-UXHICEINSA-N 474.564 5.032 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccsc3)CC2)c1 1827105232 RCRQGXVGYBXZKB-CPJSRVTESA-N 463.647 5.241 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(Cl)o3)CC2)cc1C#N 1827987022 NFIAPOOGTXDYIC-OAQYLSRUSA-N 483.996 5.139 30 20 JKED CC#CC[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cnccc3n2)CC1)c1ccccc1 1828119074 ZPBPTLWFBUYQLQ-GGXMVOPNSA-N 494.639 5.060 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc[nH]c3cc2Cl)CC1 1828293864 YUMQQBVFPAORKA-FCHUYYIVSA-N 462.059 5.009 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)CC1)C(F)(F)F 1828603889 AYALACKOOGVCBU-SFHVURJKSA-N 468.516 5.392 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2cncc(C(F)(F)F)c2)CC1 1828829664 KWCPESLYQMRVKK-DNQXCXABSA-N 491.598 5.421 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C(C)=C/c2ccc(OC)cc2)CC1 1828830093 KQYCMPQFCDPRCP-LDIXVZMTSA-N 464.650 5.487 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829693039 SRURMVSJGDURLW-QHCPKHFHSA-N 467.972 5.206 30 20 JKED CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1829825015 NIBRPUMZSGJHFH-XMMPIXPASA-N 496.055 5.099 30 20 JKED Cc1ccccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)CC1 1829943927 KKPOEAQFCWIABB-XMMPIXPASA-N 483.534 5.433 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c(Cl)c1 1830725029 XMWXKLYPZVTYNZ-GSLIJJQTSA-N 476.020 5.249 30 20 JKED C=C(C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1)C(F)(F)F 1831310140 HQWGCZAQLJVRCH-IBGZPJMESA-N 494.451 5.125 30 20 JKED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 1831371613 WYRWKZMRLTUQBH-QFQXNSOFSA-N 461.650 5.351 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 1831377098 BPYGTWIFVAHGGK-GBXCKJPGSA-N 467.654 5.117 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1 1831852623 WJFLUNCADZIPKH-HSZRJFAPSA-N 459.030 5.164 30 20 JKED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)c(OC(C)C)c(Cl)c2)CC1 1831860770 ZYCNITORWJSTGV-NRFANRHFSA-N 467.437 5.590 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1832031279 HKYTVIJQSJCNSK-JOCHJYFZSA-N 466.519 5.271 30 20 JKED Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)c(F)c1 1832704839 WLDPLWLJBDONRG-AREMUKBSSA-N 491.607 5.340 30 20 JKED C=CC[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCC=C(C)C)CC1)NC(=O)OC(C)(C)C 1832757263 RGWAPZIRRFEPIC-DNQXCXABSA-N 489.701 5.212 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832801150 JAXTVKAKCFQRHG-CWBXHPNXSA-N 468.604 5.743 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 1832801154 JAXTVKAKCFQRHG-ODAXIHTASA-N 468.604 5.743 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@]3(F)CCCC=C3F)CC2)c(Cl)c1 1832984540 SRCMFPVEYZPDGJ-SQJMNOBHSA-N 475.967 5.191 30 20 JKED CC#CC[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)CC1)c1ccccc1 1836307615 LNZOUEFJDVKYGK-PMERELPUSA-N 499.699 5.192 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CC4(CCCN4C(=O)CCc4cccc(C#N)c4)C3)ccc21 1841260494 XVOKBMGXIQRHLM-UHFFFAOYSA-N 490.607 5.136 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)N1CC2(CCCN2C(=O)CCCC#C[Si](C)(C)C)C1 1844253573 WKRRIXIIHDOWEO-UHFFFAOYSA-N 465.497 5.170 30 20 JKED CC(C)c1cc(Br)cc(C(=O)N2CC3(CCCN3C(=O)c3cccc([C@H](C)C#N)c3)C2)c1 1846830810 ZMHNSAGDUSVCQQ-GOSISDBHSA-N 494.433 5.330 30 20 JKED C=CCn1c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nnc1-c1ccccc1OC 10242815 HZIJWMRCGZPDSV-UHFFFAOYSA-N 494.636 5.732 30 20 JKED CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(C)c2)c1C 10756508 IUNGBVFOXOQVMF-UHFFFAOYSA-O 458.966 5.273 30 20 JKED CCCCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2ccc(Br)cc2c1=O 11521798 UUTLUCDHYQREAI-OAHLLOKOSA-N 499.434 5.340 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 16172286 IZCJXRHAQKQWTF-NDEPHWFRSA-N 496.586 5.324 30 20 JKED C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2cc(OC)ccc2OC)c1=S 16874082 GXJXGJXHZKIYNL-OAQYLSRUSA-N 466.607 5.087 30 20 JKED C=CCN(C(=O)CSc1nnc(NC)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 19393863 GKMMLUOIWFWCIG-UHFFFAOYSA-N 472.448 5.321 30 20 JKED Cc1cc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 22730727 YAWFRBVNRISGMT-UHFFFAOYSA-O 468.646 5.249 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccc(F)c(Cl)c1 22800461 MJDPFFJPETUIGA-UHFFFAOYSA-O 472.949 5.597 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1c(C(C)=O)oc2ccccc12 23518330 FGTJBVMSOPAMBO-MRXNPFEDSA-N 494.548 5.250 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4ccccc4OC)o3)c2C#N)C1 23648631 GHTNEMFPFPFMNS-HNNXBMFYSA-N 496.658 5.950 30 20 JKED C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 24398230 KWFJHEGWLVFBDY-IBGZPJMESA-N 452.583 5.354 30 20 JKED CN(Cc1cccc(C#N)c1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 25105419 IBNUCJFUMBNUGX-STZFKDTASA-N 468.538 5.665 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 25838653 YYFLAOPBVMNCDE-UHFFFAOYSA-N 453.571 5.466 30 20 JKED CCOc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1OCC 25841316 XMLXFEHLBYXWLF-UHFFFAOYSA-N 456.542 5.768 30 20 JKED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)CC1 26820726 YTRCMHBOPJRWPF-JEKYJLJSSA-N 484.622 5.202 30 20 JKED COc1ccc(CSc2nnc(SCC(=O)N(CCC#N)c3ccc(C)c(C)c3)s2)cc1 29408559 KMRRWMJQYSWSDG-UHFFFAOYSA-N 484.672 5.495 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1 33098179 CNYYIQGCORHLKH-AZUAARDMSA-N 461.027 5.372 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 43804676 USUNHOYRSVCONB-QGZVFWFLSA-N 468.966 5.029 30 20 JKED N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c1 72020749 PBTRYUMLUOUGAX-UHFFFAOYSA-N 451.551 6.077 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(F)ccc2I)cc1 72069514 ZMXJDPKYLVTNBA-UHFFFAOYSA-N 488.256 5.355 30 20 JKED O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 106320953 RCVOWYDPVBCNRB-UHFFFAOYSA-N 465.369 5.022 30 20 JKED C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccc(OC)cc1 255933741 OEZGYWQXXXDSDA-RUZDIDTESA-N 484.625 6.229 30 20 JKED Cc1ccccc1-n1c(SCC(=O)NC2(C#N)CCCCC2)nnc1-c1c[nH]c2ccccc12 255936726 LWHADEQSBHHTNO-UHFFFAOYSA-N 470.602 5.159 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Cl 302931448 GRXUOTBBAWXGSD-QFIPXVFZSA-N 457.877 5.342 30 20 JKED C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c1 303143405 DGPZZDHBKNWIDY-IBGZPJMESA-N 487.650 5.850 30 20 JKED Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 303176427 KAMZNBBTQGESFJ-UHFFFAOYSA-N 457.511 5.605 30 20 JKED N#C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1Cl 303358143 GRHCABYGDABVIT-CQSZACIVSA-N 453.738 5.170 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481262297 UOFGEVITFQTHAJ-UHFFFAOYSA-N 493.538 5.540 30 20 JKED COc1cccc(/C=C(\CC(=O)Nc2cc(C#N)ccc2OC)c2nc3ccccc3s2)c1 494149089 MJDREGXJYVQYGU-XDHOZWIPSA-N 455.539 5.755 30 20 JKED CC(C)Cn1c(SCC(=O)NCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 495410888 BJEZMGRMEWKJRI-UHFFFAOYSA-N 474.417 5.188 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1C 498617445 PIAZYSUOJMQRDN-UHFFFAOYSA-N 495.558 5.402 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)n2)cc1 499576073 RSYADHNNZAVLSS-MRXNPFEDSA-N 470.432 5.378 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 499806168 YAHJXMDJZPQVNA-UHFFFAOYSA-N 465.600 5.722 30 20 JKED O=C(NCCc1ccccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 502909844 SGPXBFYRYMEEAT-UHFFFAOYSA-N 480.771 5.070 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 503338966 HSWBJIJZHHOEKM-QHCPKHFHSA-N 488.931 5.156 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 504618564 AQQRKYAWOYXWAG-UHFFFAOYSA-N 489.366 5.198 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)CCc2nnc(-c3cc(F)ccc3Br)o2)cc1 510779024 CGHBWVLKPMJMFI-UHFFFAOYSA-N 457.303 5.011 30 20 JKED COc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2-c2ccc(Cl)cc2)cc1 514584966 KJZXMZJOSRRPEU-FYSMJZIKSA-N 484.025 5.131 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1nc2ccccc2n1C(F)F 515540175 IDMNYKVTZDCUAJ-OAHLLOKOSA-N 460.419 5.037 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccccn2)nnc1-c1ccc(Cl)cc1Cl 516209411 WKMMYYUFYSOACI-LJQANCHMSA-N 474.417 5.289 30 20 JKED Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 517958978 OGBDHYOJGFNXDT-UHFFFAOYSA-N 453.571 5.717 30 20 JKED CC(C)(CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1c(Cl)cccc1Cl 519133860 HOGNQZYJZBZKSA-UHFFFAOYSA-N 486.359 5.386 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 519422740 IRFCXXNGGCJTNV-AWEZNQCLSA-N 466.613 5.077 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 520394011 WEKLTNRVACIFNC-QHCPKHFHSA-N 487.581 5.099 30 20 JKED O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1cccc(NC(=O)C2CCCCC2)c1 520654784 SPRDFBAUENNZSW-UHFFFAOYSA-N 457.496 5.075 30 20 JKED CCOc1ccc(N(CCC#N)C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 520863923 NMYOUZNCEPGESU-UHFFFAOYSA-N 455.558 5.038 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccc2ncccc2c1 520942953 VTSCAYXPGUUBGZ-INIZCTEOSA-N 472.480 5.016 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 521723829 OXHDHXRCRQCEHF-UHFFFAOYSA-N 469.950 5.699 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)[C@H](c3ccccc3)N3CCSCC3)cc2F)c1 524146264 KKCXMIMTKQSFBW-VWLOTQADSA-N 461.562 5.005 30 20 JKED Cc1ccc([C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)N2CCCC2)o1 524439934 PYPRENCQOJXUPE-RUZDIDTESA-N 458.562 5.306 30 20 JKED Cc1nc(-c2cccnc2)nc(O)c1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 524707576 XZCFWZCGAIYDNZ-QFIPXVFZSA-N 469.932 5.043 30 20 JKED N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)c(-c2ccncc2)n1 602755714 FQJMOBRPCORSBV-XMMPIXPASA-N 488.473 5.649 30 20 JKED Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2)cc1 603622344 TWPVSXBJDQJGBS-UHFFFAOYSA-N 498.564 5.131 30 20 JKED CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 603650521 PIQBZGHFHCCKSI-UHFFFAOYSA-N 452.436 5.493 30 20 JKED Cc1cc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c2ccc(Br)cc2n1 603960228 JHBJZKPQJQRDMK-UHFFFAOYSA-N 473.330 5.925 30 20 JKED Cc1ccc(S(=O)(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(Br)c1 603980786 HXXOXEHFAZYBPU-UHFFFAOYSA-N 471.376 5.203 30 20 JKED Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 603995312 BMLYFHVLJMGWIB-UHFFFAOYSA-N 488.551 5.195 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Cl 604139482 VHBGZGMCBCAZGZ-HXUWFJFHSA-N 471.866 5.269 30 20 JKED COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)c1 604288599 GPXXDMZEQMMQBU-OALUTQOASA-N 498.423 5.468 30 20 JKED N#Cc1ccccc1CNc1cc(NC(=O)c2ccccc2I)ccc1F 604502675 WNSDIGFKBCCXCH-UHFFFAOYSA-N 471.273 5.166 30 20 JKED COc1ccccc1-c1nc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cs1 604502941 VZVRJQZMLJFIID-UHFFFAOYSA-N 457.530 5.985 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)c3ccccc3)cn2)cc1 608938214 WNGABXDLMBEFTG-GPUOULLFSA-N 466.541 5.158 30 20 JKED COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1OC 609075782 DCTONJYMGUXNRU-UHFFFAOYSA-N 451.910 5.130 30 20 JKED CCOc1ccc(C2(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CCOCC2)cc1 609079176 NSJSQWISBGRKPP-UHFFFAOYSA-N 499.611 5.714 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1Cl 609206210 FEFNQWJDTNFDFK-AREMUKBSSA-N 489.019 5.274 30 20 JKED C[C@H](Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)Nc1ccccc1C(F)(F)F 609387119 NLBHJORTUKCJCV-LBPRGKRZSA-N 461.431 6.169 30 20 JKED COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)c1 609415308 PZXGWPSLAPCHOK-VWLOTQADSA-N 471.557 5.005 30 20 JKED COc1ccc(CN2CCC(CNC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc1 609435911 BHRLTHWQEKEKOR-LJQANCHMSA-N 452.624 5.123 30 20 JKED CN(C(=O)C1CC1)c1ccccc1C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 613394177 PBOBGHKEQFEVND-ARRIVPFNSA-N 459.615 5.474 30 20 JKED O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618543163 OHOVFJFWSVHVEJ-YUMQZZPRSA-N 472.279 5.484 30 20 JKED Cc1ccc(-n2ncc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)c2C(F)(F)F)cc1 642282391 NFISDWHRCINOEO-CQSZACIVSA-N 459.378 5.434 30 20 JKED C=CCN(C(=O)COc1ccccc1[C@H](C)CC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 648092758 YSWUMDCOBWDVLS-GOSISDBHSA-N 484.643 5.325 30 20 JKED CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2Cc2ccccc2)cn1 726117820 GRFWYIXSVXWDJX-OAQYLSRUSA-N 482.009 5.025 30 20 JKED C[C@@H](Sc1ncccc1C(=O)OCc1ccc(-c2ccccc2C#N)cc1)C(=O)N1CCCC1 726224166 PEFBKYKSEAQWBA-LJQANCHMSA-N 471.582 5.080 30 20 JKED N#C[C@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc(-c2ccc(Cl)cc2)cs1 727627070 KUQCRPINWXYERD-GOSISDBHSA-N 479.030 6.166 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 728146598 CPBXNXFWIZFCNU-OAQYLSRUSA-N 492.000 5.785 30 20 JKED C=CCN(C(=O)c1cccc(NC(=O)OC)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 728459877 DXBKNBQKBUTWPE-UHFFFAOYSA-N 462.358 6.128 30 20 JKED N#Cc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nnc(-c4cccs4)n3C3CC3)n2)cc1 728770490 ULBNPMBETZQIKQ-QGZVFWFLSA-N 488.623 5.305 30 20 JKED N#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 728776707 STVVGUNTRMHVRY-LJQANCHMSA-N 492.498 5.499 30 20 JKED CCc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCCCC#N)c1 728777883 AGEARUSLMGGCHW-OAQYLSRUSA-N 470.545 5.181 30 20 JKED COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccc(C)cc2C)[n+]2ccc(C(C)(C)C)cc2)c1 729668676 NAGORKRCOFZCGP-UHFFFAOYSA-O 465.595 5.319 30 20 JKED COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(C2CCC2)C1=O 730460709 CQAFVEXKVOPDQV-FQEVSTJZSA-N 457.983 5.170 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)(F)F)cc3)N(C3CCC3)C2=O)c1 730461378 NJCMMYJRWHBHBI-IBGZPJMESA-N 493.507 5.107 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c12 731065612 CSSDJBISLCMSLB-QGZVFWFLSA-N 499.596 5.134 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 731067147 NAECNJXYNZORJV-SFHVURJKSA-N 488.569 5.520 30 20 JKED Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)N1[C@@H](C)c1cccnc1 731304550 VCYWPSFCOCOAIB-AVRDEDQJSA-N 474.586 5.126 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccsc2)cc1 731306627 WPFVLSKFXRVZFR-NRFANRHFSA-N 481.599 5.013 30 20 JKED C[C@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)c(Cl)c1 731308648 OVPMZXVRSZKUBD-SPLOXXLWSA-N 498.967 5.301 30 20 JKED COc1cc(C)c(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1OC 731319885 SDHXJSOQWXOFRP-LUAWRHEFSA-N 495.959 5.588 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)c2cc(C)sc2C)c1 743514232 MMFCIACAMJYWPN-VLIAUNLRSA-N 459.612 5.174 30 20 JKED C=CCn1c(-c2cccnc2)nn(CN(Cc2cc(Br)ccc2F)C2CC2)c1=S 746707946 CCQRYINIAMJPEW-UHFFFAOYSA-N 474.403 5.186 30 20 JKED O=C(Nc1ccc(C/N=C/c2cc(Br)cc(Br)c2O)cc1)c1cccnc1 748586109 PQSOAOBCZGJTND-WYMPLXKRSA-N 489.167 5.184 30 20 JKED Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1ccccn1 837300678 BIQWWMTXAYDAKJ-NRFANRHFSA-N 482.968 5.343 30 20 JKED COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1[C@H](C)CCc1ccco1 838481054 HEPUTXWPTDXOOY-JPYJTQIMSA-N 477.586 5.270 30 20 JKED CCOc1cc([C@H]2NC(=O)N(Cc3cccs3)C(c3ccc(F)cc3)=C2C(C)=O)ccc1O 840200661 RWPRVPAGMBJPLV-HSZRJFAPSA-N 466.534 5.258 30 20 JKED COc1cccc(/C=C(\CC(=O)Oc2ccc(C#N)cc2OC)c2nc3ccccc3s2)c1 858421215 PXVFRWLNKFEVMB-XDHOZWIPSA-N 456.523 5.721 30 20 JKED Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)COC(=O)/C=C/c4cccnc4)c3C#N)C(C)(C)C2)o1 864096416 DPSLVDDFSMHPPN-BDLVGCLISA-N 499.592 5.889 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccnn2C2CCCC2)c1 881385668 TWBWNBCMUKIYOG-UHFFFAOYSA-N 485.009 5.285 30 20 JKED COc1ccc(NS(=O)(=O)c2cc(N=Cc3cc4ccccc4nc3O)ccc2Cl)cc1 912773401 OMUTUENBRPECEA-UHFFFAOYSA-N 467.934 5.154 30 20 JKED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl 914502457 UHNDEBCDCCGUOC-UHFFFAOYSA-N 482.005 5.088 30 20 JKED COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1F 914540960 GYQUNPAQNMZKTC-QFIPXVFZSA-N 492.576 5.007 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)Cc2cccs2)cc1 914694635 PZRANEJRGAETMR-ZHRRBRCNSA-N 497.617 5.487 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 914945117 UZKNAOKZYQGAPT-UHFFFAOYSA-N 488.853 5.089 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1 915353477 UNRQRNYTIVKQSD-JOCHJYFZSA-N 495.446 5.516 30 20 JKED CCOc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 916135715 KQYQUOOTXZWWFX-OQFOIZHKSA-N 479.460 5.474 30 20 JKED COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccccc2F)cc1 916204810 DEIXKWBGJYMWSD-HSZRJFAPSA-N 495.551 5.176 30 20 JKED CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(C[C@@H]2CCCO2)C1=O 916208058 SEPHBWKGIWDWLB-GBXCKJPGSA-N 495.645 5.232 30 20 JKED O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1F 916212829 ZLEHSCAGRJLQKS-LJQANCHMSA-N 489.475 5.181 30 20 JKED COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccc(F)cc2)cc1 916214533 OGTPDVXGHKPZNG-JOCHJYFZSA-N 499.514 5.273 30 20 JKED Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc3ncccc3c2)c(C)c1 916274860 VHJKIWDXMKSTEH-UHFFFAOYSA-N 475.530 5.007 30 20 JKED COc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1ccc(Cl)cc1Cl 916310943 RSASSHXCZQVYHA-UHFFFAOYSA-N 488.396 5.851 30 20 JKED C=CCOc1c(Br)cc(CNCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1OC 916837465 UKIQTAFNPHSXKI-CALCHBBNSA-N 493.417 5.065 30 20 JKED Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 916847815 QMDFGMRWKDXFTL-MRXNPFEDSA-N 455.370 5.825 30 20 JKED Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cc12 916919232 UYTNLNVPMFJVQF-NRFANRHFSA-N 498.995 6.222 30 20 JKED N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 916945463 VRYWBAQWFCAYSI-INIZCTEOSA-N 473.337 5.454 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916946462 VEXRGBGNIRLPRZ-JOCHJYFZSA-N 464.308 5.405 30 20 JKED N#Cc1ccccc1COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 916946463 VEXRGBGNIRLPRZ-QFIPXVFZSA-N 464.308 5.405 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3csc(NC(=O)c4ccccc4F)n3)n2)cc1 916975425 ZJIPYPJSLYMMQW-GOSISDBHSA-N 476.558 5.385 30 20 JKED N#C[C@@H](C(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1nc(-c2ccc(Cl)cc2Cl)cs1 916995237 CRWQCJPKADHYAD-AWEZNQCLSA-N 492.771 5.945 30 20 JKED CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(SC3CCCC3)cc2)cs1 917560530 PUOHSALJCMSJRC-XNTDXEJSSA-N 466.603 6.898 30 20 JKED COc1ccc(CN2C(=O)/C(=C\c3cccc(OCc4cccc(C#N)c4)c3)SC2=S)cc1 917643309 DUOGGNKQLVRGQF-ZVHZXABRSA-N 472.591 5.547 30 20 JKED Cc1nccc(CN2C(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)SC2=Nc2ccccc2)n1 917673323 BHCAXQWGAPAHHT-DEOSSOPVSA-N 481.581 5.099 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3ccsc3)C2=O)c1 917677699 IFZVSILKTRPERD-FQEVSTJZSA-N 469.563 5.056 30 20 JKED CCc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cccc(C)n2)c1 917688783 GVCXGDCRJFRUGO-DEOSSOPVSA-N 488.613 5.122 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(Cc3ccsc3)C2=O)c1 917695946 GPTPGULVLQALJU-FQEVSTJZSA-N 487.553 5.195 30 20 JKED C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 917697822 QJAGTCUSQYKLAF-UHFFFAOYSA-N 496.032 5.574 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccc4ccccc4c3)N(Cc3ccccn3)C2=O)c1 917700987 OQFABMOUJDPIHN-SANMLTNESA-N 494.620 6.012 30 20 JKED CC(C)Oc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)c1 917701934 BGVZQGINGKQHKP-VWLOTQADSA-N 498.608 5.506 30 20 JKED CN(Cc1ccccc1CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCCCC1 918470856 IMVMZWOCUUJXFQ-GDLZYMKVSA-N 494.639 5.361 30 20 JKED Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c(C)n1[C@H](C)c1ccccc1 918658854 KMVCEBXUYMXLHF-JOCHJYFZSA-N 463.581 6.612 30 20 JKED C[C@@H](OC(=O)c1[nH]c2ccc(Br)cc2c1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 919338221 YYWYJLVBTOXASR-SECBINFHSA-N 492.782 5.190 30 20 JKED C=CCn1c(SCCS(=O)(=O)CCC)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 919675793 VSGHVKKGBZDESZ-UHFFFAOYSA-N 492.670 5.572 30 20 JKED N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 920107540 DAJUUYDPSXSCAV-DIFFPNOSSA-N 498.338 5.009 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc(-c4cc(Br)cs4)no3)n2)cc1 920109453 FEIUNHHPKKBBAS-OAHLLOKOSA-N 499.415 5.802 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 920111299 LKAPQZCURYJBKY-UQBPGWFLSA-N 493.563 6.089 30 20 JKED CCc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2cc(C)on2)cc1 920355202 JCCIAPQGIZIURG-QHCPKHFHSA-N 476.602 5.323 30 20 JKED Cc1cc(C)cc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2c(C)noc2C)c1 920356864 VVGZEIXREBUWFF-DEOSSOPVSA-N 490.629 5.686 30 20 JKED N#C[C@H](C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1nc(-c2c(F)cccc2F)cs1 920806701 OEBYPESPUUIINI-MRXNPFEDSA-N 484.505 5.145 30 20 JKED COc1cccc(C=Nc2cccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)c1O 920942658 NHIWVMIPBJQQRW-UHFFFAOYSA-N 464.515 5.267 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C 921131275 IJQSVAJMTWAOST-NSHDSACASA-N 480.398 5.765 30 20 JKED COc1ccc(OCc2ccccn2)c(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 921256102 HIFJRFPKELWFBY-UHFFFAOYSA-N 482.565 5.298 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)C3=CCCN(C(=O)OC(C)(C)C)C3)CCC2)cc1 1786102656 SJWGVPKFEVJQMP-UHFFFAOYSA-N 493.648 5.456 30 20 JKED C[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)no3)cc2)CCC1 1788367162 CFPQZMPGHHIPHE-CQSZACIVSA-N 455.967 5.061 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1789576493 YSWGISIHPLQYAS-NDZAJKAJSA-N 478.552 5.208 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789991244 BDZSRVCZWODCGM-GOSISDBHSA-N 484.556 5.162 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C[C@H](CC)NC(=O)OC(C)(C)C)cc2)CCC1 1790549128 LVTUWNANVYRFFZ-JTHBVZDNSA-N 483.653 5.582 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CCC2)cc1 1790565788 CXQLLJIDCCOUBB-KRWDZBQOSA-N 493.995 5.279 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]n1 1794799893 JPYNAXOUZMAAJO-RDGPPVDQSA-N 486.538 5.116 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C)c2Cl)[C@@H]1c1cccnc1 1802501852 COQKDOMCAYKPJA-NZQKXSOJSA-N 454.014 5.355 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c[nH]c4cccc(Cl)c24)C3)c1 1803681347 UBPQPEJVLWKAFS-GEALJGNFSA-N 460.965 5.014 30 20 JKED Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(OC(C)C)c(C#N)c3)c[nH]2)cc1 1803839022 LWJOIVBEXDGJFZ-OOSCYNTBSA-N 496.611 5.215 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 1810271398 FTLZPGDHIHTFLE-KCWPFWIISA-N 487.676 5.199 30 20 JKED C=CCC(=O)N1CC[C@H](CNC(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)[C@@H]1c1cccnc1 1810469052 OLROLDRFHGLBOS-NPAAKHOSSA-N 475.539 5.175 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2sccc2Cl)[C@@H]1c1cccnc1 1811095783 AHBYZVDQSCWUDI-UGKGYDQZSA-N 488.129 5.167 30 20 JKED O=C(NC[C@H]1CCN(C(=O)CCC2CCC2)[C@H]1c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 1811245283 URXDIRYOQUJNHE-VEEOACQBSA-N 491.635 5.381 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(CC#N)cc2)[C@@H]1c1cccnc1)c1ccccc1 1811354864 QBTHXQZNUUXJPU-OCDVNBFTSA-N 494.639 5.297 30 20 JKED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)[C@@H]2c2cccnc2)c1Cl 1811423485 AOMXQOGLVFWRNU-GAJHUEQPSA-N 497.357 5.033 30 20 JKED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2)[C@@H]1c1cccnc1 1811719033 QNTYZZSVVAFATJ-MZBJOSPHSA-N 489.641 5.148 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@H]1c1cccnc1 1812828099 NXIFIPCTHQXOFV-IXCJQBJRSA-N 459.634 5.222 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(Cl)c2OC)[C@@H]1c1cccnc1 1813915656 CRJIDRQSZRQLLK-KNQAVFIVSA-N 470.013 5.056 30 20 JKED CCOc1ccsc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc([C@H](C)C#N)c2)[nH]n1 1814343906 GRNWVXUTPQOTIN-OXQOHEQNSA-N 477.590 5.117 30 20 JKED C/C(=C\c1cccs1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1814409362 LMTHFKZPCFYLMK-OTRAAIJSSA-N 473.602 5.071 30 20 JKED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3occc3n2-c2ccccc2)[nH]n1 1815245409 NGBPRNCHWJUFNI-YADARESESA-N 491.617 5.207 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)n[nH]2)c1 1818593453 RFUAPXNEMZXZRB-JOCHJYFZSA-N 490.926 5.175 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccccc2Oc2ccccc2)n[nH]1 1820437544 IOTSZXYLOFROGY-OAQYLSRUSA-N 480.515 5.719 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)n[nH]1 1821226162 XEMJIDGMGSMUQB-NLFFAJNJSA-N 487.604 5.492 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3c(C(F)(F)F)coc3C)[nH]n2)c1 1821324175 MTIUXOZOQKYSMM-LJQANCHMSA-N 485.466 5.130 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)cc(OC(F)(F)F)c3)n[nH]2)C1 1821361320 VTOCVOISUKBHSW-SFHVURJKSA-N 482.890 5.234 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](c2ccccc2)N(CC(C)C)CC(C)C)n[nH]1 1821758403 WEVLPQGYOTXMHY-IGKIAQTJSA-N 479.669 5.333 30 20 JKED C[C@@H](c1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(C#N)CCC3)[nH]n2)cc1)C(F)(F)F 1821787934 FOLBYWVKCULHEQ-JXFKEZNVSA-N 487.526 5.004 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](C)c2ccc(Cl)cc2)[nH]n1 1821984434 WJSYKOAIJRGQQV-RDTXWAMCSA-N 450.917 5.070 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CCc3c[nH]c4ccc(F)cc34)n[nH]2)c1 1822260894 QGIIGTKIPQLAEX-RUZDIDTESA-N 498.562 5.149 30 20 JKED Cc1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@H](C)C#N)c3)n[nH]2)nc2ccccc12 1823215538 UPDIWEGZCPILQJ-BCHFMIIMSA-N 492.583 5.513 30 20 JKED C=C(C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n[nH]1)C(F)(F)F 1823286754 ISCZYEQMIUMYMB-NRFANRHFSA-N 468.479 5.501 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@]2(F)CCCC=C2F)n[nH]1)c1ccccc1 1823590748 RDCNDUJNHDCGGX-CLHVYKLBSA-N 480.559 5.345 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1 1823682812 DKUYRDVIWTWVFU-JOCHJYFZSA-N 487.522 5.036 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)cc1 1823813304 VTVQQZDJAPWOCV-QSRYBZNWSA-N 481.596 5.180 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 1824146467 YOUANWRDHZCUHQ-BJKOFHAPSA-N 489.701 5.068 30 20 JKED C[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1824392111 LHPZXKMVRSFKPE-DFBJGRDBSA-N 496.076 5.626 30 20 JKED N#Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccc4ccccc4c3)CC2)ccc1F 1826401270 QKRLTSHLOKRTDK-LJAQVGFWSA-N 497.614 5.255 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCC([C@H]2CCCCN2C(=O)CC(F)(F)F)CC1 1826679368 BTIMUVOAEDUVFA-QGZVFWFLSA-N 468.413 5.030 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccnc4ccccc34)CC2)c(Cl)c1 1827998900 FEQKMIADLRNNSE-AREMUKBSSA-N 487.003 5.307 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)CC1 1828031992 BJIMOZDINYHQEE-HHHXNRCGSA-N 489.736 5.519 30 20 JKED O=C(/C=C/C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1)c1cccs1 1828256426 BIROGQGAJMAEFZ-GLJAUCNMSA-N 476.598 5.167 30 20 JKED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Br)c3ccccc23)CC1 1828507890 GUFDQLNZKYKBAH-VWLOTQADSA-N 495.461 5.639 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(C)nc3ccc(O)cc23)CC1 1828526900 RDABEJVIUFNUBD-YIXXDRMTSA-N 475.633 5.251 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)CC1 1828773022 IEBCHGQYMZRTOW-DENIHFKCSA-N 460.709 5.617 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2c(Cl)cccc2OC)CC1 1828829728 MVNXAYJWXZVTMT-UNMCSNQZSA-N 459.030 5.350 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)nc2)CC1 1828904190 RUPFBMUKXYVDST-JOCHJYFZSA-N 474.121 5.019 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccnc(Cl)c2)CC1)c1ccccc1 1829031353 ZPGXRZBNPDWAEX-RPBOFIJWSA-N 478.036 5.166 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3c[nH]c4nccc-4c3n2C)CC1 1829069175 NIKWPRGNFQLWSD-HSZRJFAPSA-N 489.664 5.232 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)c(F)cc3F)CC2)c(Cl)c1 1830513089 OONXJXKTIBKZGR-QHCPKHFHSA-N 489.925 5.176 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 1830631733 NGNLXPRQOJRRIT-HSZRJFAPSA-N 484.427 5.607 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(F)c(F)c(OCC)c2F)CC1 1830741869 JHPJYPQBZVYAQW-DENIHFKCSA-N 492.582 5.504 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 1831305922 GUUSAMTWENEWHS-GBXCKJPGSA-N 488.072 5.182 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2[nH]c3ccoc3c2-c2ccccc2)CC1 1831375197 PRWLFISHTHGNMA-GBXCKJPGSA-N 473.617 5.873 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc3ccc(Cl)cc3c2)CC1 1831375725 DBQINCMHNCKCPX-UUOWRZLLSA-N 454.014 5.334 30 20 JKED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC2)C1 1831715962 PFWWWXRJYOOLBL-RBZQAINGSA-N 485.466 5.139 30 20 JKED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1831846270 YKSUONOMBXMIGP-XDHUDOTRSA-N 472.601 5.183 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ccccc3)nc2)CC1 1832029516 FQVCDSBNSZLKOP-MHZLTWQESA-N 457.618 5.176 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(C)c3Cl)CC2)c1 1832603039 HYXXSYOCEKLMBM-DEOSSOPVSA-N 480.008 5.076 30 20 JKED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 1832719678 OXKXBWYPTCCMDR-SJKOYZFVSA-N 463.858 5.198 30 20 JKED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc3occ(Cl)c3c1)C2)c1ccccc1 1844336504 SRXCEOBJFVCUGG-NRFANRHFSA-N 460.961 5.100 30 20 JKED COc1ccccc1N/C(S)=C(/C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 10118321 LHFJZMJWGJPINW-UHFFFAOYSA-O 457.619 5.401 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(Oc3ccccc3)cc2)cc1 10171033 PKZAHNKCXPWERT-UHFFFAOYSA-O 489.567 6.658 30 20 JKED COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)[nH]1 12475188 CWWUTFDEUVBZOB-UHFFFAOYSA-N 485.013 5.270 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nnc(Nc3ccccc3)s2)n(C2CCCC2)c1C 12476577 XJMRTVQSZJHTIU-UHFFFAOYSA-N 452.609 5.418 30 20 JKED N#CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 15030387 ZSHUFEPPDIKVRI-UHFFFAOYSA-N 459.962 5.385 30 20 JKED O=C(C[C@H]1S/C(=N\c2ccc(OCc3ccccc3)cc2)NC1=O)Nc1ccccc1Cl 15231810 JWILNDVNLVHDQN-OAQYLSRUSA-N 465.962 5.167 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nccn2Cc2ccccc2)n(Cc2ccc(F)cc2)c1C 16685335 VMDDGILRCASLDG-UHFFFAOYSA-N 473.577 5.140 30 20 JKED C=CCn1c(S[C@H](C)C(=O)NCc2cccs2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 16771681 ADMONQKCKKCZBJ-OAHLLOKOSA-N 499.658 5.617 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2cccnc2Cl)nnc1-c1ccc(Br)cc1 16832676 ZRLGTUAXFIMFJI-LBPRGKRZSA-N 478.803 5.061 30 20 JKED Cc1ccccc1-n1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nnc1-c1cccnc1 18342515 QDNQCGQREDLHCB-UHFFFAOYSA-N 463.570 5.296 30 20 JKED C=CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 21838465 TZWUJGZVWYQFSZ-UHFFFAOYSA-N 492.622 5.210 30 20 JKED COc1ccccc1-c1nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1-c1ccc(Cl)cc1 22137365 FTFGPSMIBRTLAE-VOIUYBSRSA-N 484.025 5.131 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)=C(/S)Nc1ccc(C)c(F)c1 22732215 FXPTZHWWKVNKTN-UHFFFAOYSA-O 452.531 5.252 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc12 23518602 DWKSJXNLPWGWGV-MOPGFXCFSA-N 490.604 5.693 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc3ccccc23)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 23603074 FLNBNCJGLYBTKN-UHFFFAOYSA-O 490.652 6.714 30 20 JKED C=CCn1c(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)nnc1-c1ccoc1C 24703604 PDLSABBRZMKJKE-HSZRJFAPSA-N 458.587 5.225 30 20 JKED N#C[C@H](C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)c1nc(-c2ccccc2)cs1 26016733 KZPQNLFSMLLZML-LJQANCHMSA-N 499.646 6.088 30 20 JKED N#C[C@H](C(=O)CSc1nccn1-c1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 26042448 VHZLKFQVVVZUER-GOSISDBHSA-N 450.976 5.618 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccncc2)ccc1Cl 27271084 JSQPPAKPZPEXTL-QHCPKHFHSA-N 499.995 5.233 30 20 JKED C=CCn1c(SCC(=O)N[C@H]2CCOc3ccccc32)nc2scc(-c3cccs3)c2c1=O 27568150 MMZBEHKWFVAQRG-KRWDZBQOSA-N 495.651 5.105 30 20 JKED CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 46893135 LZAXMHSKUZNKJH-JOCHJYFZSA-N 482.005 5.325 30 20 JKED COc1cc([C@H](C#N)NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc(OC)c1OC 110567798 MHZLULCRVNJPEH-HFZDXXHNSA-N 497.016 5.569 30 20 JKED C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 110936045 GRTURSGTCWWRLR-OAQYLSRUSA-N 483.572 5.235 30 20 JKED N#C[C@@H](C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1nc2cc(Cl)ccc2s1 195664177 OFZUYPHMEVXGSZ-SFHVURJKSA-N 472.957 5.755 30 20 JKED C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)nnc1-c1ccccc1F 195691194 VVEQPTWQPYDMNB-UHFFFAOYSA-N 479.606 6.012 30 20 JKED Cn1cnnc1Sc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 302949802 MGVCEORWBGRWGJ-UHFFFAOYSA-N 457.584 5.383 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 302965235 AFFLCXJBFDXZCU-UHFFFAOYSA-N 472.501 5.572 30 20 JKED COc1ccc(-c2nc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cs2)cc1 302985425 WFRZYWSPXKVFOG-UHFFFAOYSA-N 457.530 5.672 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CCN(CCc3ccccc3)CC2)cc1Cl 410313521 QUNFWSHAYAGWHO-SANMLTNESA-N 473.020 5.824 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2COC)c1 481902023 RHTAGMOBCIYNTC-UHFFFAOYSA-N 470.978 5.120 30 20 JKED C=CCn1c(SCc2nccn2CC(F)(F)F)nc2scc(-c3ccc(C)cc3)c2c1=O 483126235 YHNZVUIYFQYWKP-UHFFFAOYSA-N 476.549 5.671 30 20 JKED CCOc1ccc(OCC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 487389803 UESNGYCMHDRAEJ-UHFFFAOYSA-N 461.465 5.041 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc3cnn(C(C)C)c3c2)nnc1-c1ccc(Cl)cc1 488651732 AKJYXAPATSZQRI-UHFFFAOYSA-N 466.998 5.446 30 20 JKED C=CCn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1[C@@H]1COc2ccccc2O1 501113124 RXZFROVOCBUALU-QHCPKHFHSA-N 459.575 5.071 30 20 JKED N#C[C@@H](C(=O)c1occc1CN1C(=O)Cc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 503549341 CMJWHKNLNXTMHR-IBGZPJMESA-N 473.941 5.636 30 20 JKED CC[C@H](C)n1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccccc1 504277960 AOCVRHURBZSFFR-GJZGRUSLSA-N 451.621 5.457 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2SCc2csc(C)n2)cc1 508140773 CTXYLHKTFLSPCS-UHFFFAOYSA-N 463.628 5.810 30 20 JKED Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)CCc4c(C)nc(O)c(C#N)c4C)cc3s2)s1 511316398 UFQYCNNAMBRAJS-UHFFFAOYSA-N 491.598 5.079 30 20 JKED COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 511373785 QTVUUKWUMIBAHE-MUUNZHRXSA-N 469.585 6.489 30 20 JKED C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1 511748359 MEMAWZQWJKNUHK-UHFFFAOYSA-N 487.560 5.201 30 20 JKED CCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cnn1-c1ccc(Br)cc1 513653925 HXRUUTVHJAUFFI-OAHLLOKOSA-N 451.349 5.297 30 20 JKED C=CCN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C)c1nc(-c2ccccc2)cs1 514301767 MJFNVMOBCQAYHS-UHFFFAOYSA-N 469.632 5.028 30 20 JKED C=CCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514518054 GYPUGEUVVHLRFM-UHFFFAOYSA-N 482.974 6.328 30 20 JKED Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc2)cc1 514568737 CMQOEAVCIDLYDN-KRWDZBQOSA-N 464.612 5.279 30 20 JKED Cc1c(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)nnn1-c1cccc(Br)c1 515628157 VEUGMFSJWGASPS-UHFFFAOYSA-N 490.386 5.289 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1 516713642 DRSMSJRQGJDBMU-QFIPXVFZSA-N 471.513 5.700 30 20 JKED COc1ccc(/C=C(\CC(=O)O)c2nc3cc(C(F)(F)F)ccc3s2)cc1OCCCC#N 517401944 QHGVZSSYUJHTAV-XNTDXEJSSA-N 476.476 6.022 30 20 JKED COc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc(OC)c1Br 517844740 VMNLPLUQUUTDOY-UHFFFAOYSA-N 453.292 5.383 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 517903318 HHDMGVHWXKMAFS-KRWDZBQOSA-N 476.390 5.202 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)cc2)cc1 520556986 XHIUCIQOPMZTSO-UHFFFAOYSA-N 481.483 5.759 30 20 JKED CN(Cc1ccc(F)c(F)c1)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 520794499 ZAOZFTHATIZSAA-UHFFFAOYSA-N 480.771 5.428 30 20 JKED CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)c2cccs2)cc1 521741757 FRHQJZXQRMIVRE-HSZRJFAPSA-N 463.628 5.551 30 20 JKED C=CCc1cc(CNC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(OC)c1OC 522115227 LMRDXKURRQNOIS-UHFFFAOYSA-N 451.592 5.131 30 20 JKED C=CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 564662023 LTMUYDMSLRXWJO-MOPGFXCFSA-N 473.019 5.190 30 20 JKED C=CCN(C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 596277397 ODFSNSYVLGIXBL-SBUREZEXSA-N 495.425 5.225 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 604003895 QBBZNZUQLXKXGW-UHFFFAOYSA-N 466.541 5.328 30 20 JKED C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 604179711 CNLUFYWYGJMXAH-OAQYLSRUSA-N 479.605 6.316 30 20 JKED CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1cccc(C(F)(F)F)c1 608864776 AORSTYDMBCFOEK-NRFANRHFSA-N 482.462 5.360 30 20 JKED Cc1ccccc1-c1ccc(CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C(C)C)s1 609001559 ISGYBHHNWPOPSN-UHFFFAOYSA-N 473.646 5.579 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1cc2ccccc2o1 609085449 QDDTUTSRBYANGX-SFHVURJKSA-N 453.498 5.008 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)Cc3csc(-c4cccc(Br)c4)n3)CC2)c1 609185242 RFXRBYLXGGPLFC-UHFFFAOYSA-N 482.403 5.057 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 609370565 DTTPZTAUIAITMS-AWEZNQCLSA-N 473.624 5.414 30 20 JKED C=CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 609433913 KHNCBZBJXOMYGN-FQEVSTJZSA-N 479.544 5.416 30 20 JKED C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)nnc1-c1ccc(OC)cc1 613932717 KDXNFGUXFGTCAT-HXUWFJFHSA-N 456.637 5.197 30 20 JKED CCN(C[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)CC(F)(F)F 622410757 PLNJMAHSSRYKGM-NSHDSACASA-N 450.345 5.071 30 20 JKED Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)n2)cc1 642281300 WTJDYUQCQRNIRC-QGZVFWFLSA-N 477.998 6.576 30 20 JKED Cc1c([C@H](C)NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 642956243 UIISGFGDEDWOIG-IACUBPJLSA-N 480.428 5.590 30 20 JKED CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 726320332 WWGXDZCKWZEAOW-QFIPXVFZSA-N 452.514 5.502 30 20 JKED CO[C@H](C)CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(C)C)c1 726392920 LGSOFWPTHONSLD-KOSHJBKYSA-N 495.645 5.398 30 20 JKED CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 726393007 LTNZZYIWNVHXIB-UZUQRXQVSA-N 479.577 5.364 30 20 JKED C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\[C@H](C)c1cccs1 726419072 CAOAZOZXOQPMFB-RMHAOICISA-N 468.431 5.631 30 20 JKED COc1cccc(-c2nc(/C=C3/SC(=S)N(c4ccc(C#N)c(Cl)c4)C3=O)cs2)c1 726627737 UNLMZODMOFQGPY-QGMBQPNBSA-N 470.000 5.750 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCO[C@H](c3ccccc3F)C2)c1=S 727423914 PIVKMBBMSVNNKO-NRFANRHFSA-N 474.989 5.003 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C/c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 727974673 LTKQPRWHFZOROP-MDWZMJQESA-N 460.515 5.332 30 20 JKED N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1sc2cc(Br)ccc2c1Cl 729889163 LNFJFUBWEWTIAT-NSHDSACASA-N 468.159 5.932 30 20 JKED N#C[C@H](C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)c1nc2ccccc2n1C(F)F 730690845 YBFDIEUPSMAJJC-GFCCVEGCSA-N 464.419 5.869 30 20 JKED Cc1cc(C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)n1C1CCCCC1 731064241 OJPJIFXGOWHKTG-QGZVFWFLSA-N 453.608 5.657 30 20 JKED CN(c1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1)C1CCCCC1 743414122 LKWMECHDDGBTLT-NDEPHWFRSA-N 480.612 5.366 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1cc(C)ccc1F 743523737 CDIZJKGDMVGHRX-OAQYLSRUSA-N 455.555 5.069 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(CCc3ccccn3)C2=O)cc1 743524379 JPSUXAQZWVUQNH-HSZRJFAPSA-N 476.577 5.041 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1 745268220 VOZKCEFELKIQFA-UHFFFAOYSA-N 456.499 5.171 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(CCOC(C)(C)C)C1=O 746697742 KXXRUIHYMKFBHV-JOCHJYFZSA-N 483.634 5.087 30 20 JKED N#Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1Cc1cscn1 747600532 BQSVFSLSOXAGLZ-HSZRJFAPSA-N 497.605 5.328 30 20 JKED CC(C)c1cccc(C(C)C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCc1nccs1 747602130 IZCNCRNQWOIVEO-HXUWFJFHSA-N 484.691 5.233 30 20 JKED COc1cc(CCC(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)ccc1OCC(F)(F)F 750392503 RKJOXURTHOUBOT-LJQANCHMSA-N 470.447 5.070 30 20 JKED Cc1nc(-c2cccs2)c(CC(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)s1 821744028 JFPHPWLLURTBFL-UHFFFAOYSA-N 482.631 5.310 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 822093621 DCEZHLJOUUBJKA-UHFFFAOYSA-N 464.909 5.642 30 20 JKED CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(C#N)c2)NC(=S)N1c1cccc(C)c1 839841338 LSSVQMAMKRCQON-SANMLTNESA-N 466.610 5.832 30 20 JKED Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)COC(=O)[C@@H]3CCCO3)c2C#N)C(C)(C)C1 848943125 WQKRCXZZSUIRCT-RURPWVQCSA-N 482.627 5.429 30 20 JKED C[C@@H](c1ccccn1)N1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 914538968 ZOBGYJOMEWYJIG-RXFWQSSRSA-N 494.620 5.634 30 20 JKED COc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)N2Cc2cccc(F)c2)c1 914772531 CANUZTPCAPWAMU-HSZRJFAPSA-N 493.560 5.003 30 20 JKED CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915087974 FSRPWTUECDMLAY-VWNXMTODSA-N 478.017 5.486 30 20 JKED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1nc(-c2ccccc2)cs1 915101404 ATSFZJKHJZABPY-IEBWSBKVSA-N 481.524 5.140 30 20 JKED CCN(CC)[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(OC)c1 915352983 KTKQYHNUWQVVDD-RRPNLBNLSA-N 456.590 5.555 30 20 JKED CCOc1ccc(C(=O)/C=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1 916153208 FIQZNBBQGKPXIX-ZSOIEALJSA-N 465.933 5.661 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2ccco2)C1=O)Nc1ccccc1F 916212828 ZLEHSCAGRJLQKS-IBGZPJMESA-N 489.475 5.181 30 20 JKED COc1cc(Cl)ccc1NC(=O)COc1ccc(C=NNc2cccc(C)c2)cc1OC 916255118 BVBPDLDICXSCCZ-UHFFFAOYSA-N 453.926 5.129 30 20 JKED CCN(CC)S(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1Cl 916627507 ZHHFSBZXMZUUDV-GOSISDBHSA-N 488.034 5.293 30 20 JKED CCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cs2)cc1 916898367 BHQOROWZAAZUCQ-INIZCTEOSA-N 469.950 5.140 30 20 JKED N#Cc1ccc(CSCC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 917262416 XCFWBNYQWXQWGO-HSZRJFAPSA-N 495.944 5.276 30 20 JKED COc1cc(C#N)cc(Cl)c1OC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 917601045 GWUKCUDTVSZPDI-UHFFFAOYSA-N 451.891 5.121 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2c(C)cccc2C)n1 917658820 QNHRPZSHRZYVDP-JOCHJYFZSA-N 476.577 5.306 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccc(C)n2)c1 917671358 WGTMTIYWKWAWKZ-HSZRJFAPSA-N 458.587 5.167 30 20 JKED C[C@@H]1C[C@H]1c1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2C#N)o1 917703615 NSYWGUUFKGFEFZ-JKHABCDFSA-N 484.581 5.435 30 20 JKED CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 917803534 GDLYZOMSECBBSY-UHFFFAOYSA-N 457.530 5.931 30 20 JKED Cn1ccnc1COc1ccc(C(=O)/C=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 918714381 UCNBHSKAOFYDMR-FLIBITNWSA-N 469.488 6.038 30 20 JKED N#Cc1ccc(CSCC(=O)OCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 919208125 WOJHCQMUJUJCEV-UHFFFAOYSA-N 480.998 5.818 30 20 JKED N#C[C@@H](C(=O)CCSc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 920110639 SSZNALDKBJRVJG-AWEZNQCLSA-N 472.191 5.586 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)C3=Cc4cc(Br)ccc4OC3)n2)cc1 920141172 MMKPCNGZCFNUAY-SFHVURJKSA-N 462.328 5.097 30 20 JKED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1)c1nc(-c2ccncc2)cs1 920266852 ACAWCJPTLDNVJS-HYBUGGRVSA-N 476.561 5.006 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)SC2=Nc2ccc(C(C)C)cc2)no1 920353410 JARSYUGFQFMACL-JOCHJYFZSA-N 480.565 5.406 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(Cc3c(C)noc3C)C2=O)c1 920353496 LIKLWYWHUDAKFT-HSZRJFAPSA-N 492.601 5.077 30 20 JKED Cc1nnc(SCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)n1Cc1ccccc1 920804538 UPHWOUHZTUXAPO-MRXNPFEDSA-N 481.553 5.005 30 20 JKED N#C[C@H](C(=O)c1ccccc1OCc1cn2ccccc2n1)c1nc(-c2c(F)cccc2F)cs1 920806824 QRTDQDRKPWWCAC-GOSISDBHSA-N 486.503 5.805 30 20 JKED COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc2ccccc12 920868002 ZTVMBFWTAKGCRS-QMHKHESXSA-N 497.567 5.361 30 20 JKED N#Cc1cc(C(=O)NC2(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CCC2)cc(C(F)(F)F)c1 1785751047 KCOBWHHKQKNQLM-UHFFFAOYSA-N 498.417 5.140 30 20 JKED N#Cc1cccc(C(=O)NC2(c3ccc(NC(=O)c4c(F)ccnc4Cl)cc3)CCC2)c1Cl 1786991180 MRAWLIZXQUVXEX-UHFFFAOYSA-N 483.330 5.461 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccoc4C(F)(F)F)cc3)CCC2)cc1 1788726670 FKKHQBPNLKVDGG-UHFFFAOYSA-N 467.447 5.426 30 20 JKED O=C(/C=C/C(=O)c1cccs1)NC1(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CCC1 1788903848 OREJZKAGMRLSLD-BUHFOSPRSA-N 481.577 5.483 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)NC1(c2ccc(NC(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)cc2)CCC1 1789201380 WWBSPYOZANMHCX-QFIPXVFZSA-N 481.637 5.146 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cn5ccsc5n4)cc3)CCC2)c1 1789335304 HJPXDPQRQDHTSG-KRWDZBQOSA-N 469.570 5.084 30 20 JKED CC#CC[C@H](C(=O)NC1(c2ccc(NC(=O)c3ccn4cncc4c3)cc2)CCC1)c1ccccc1 1789346828 XWMKNIOBEVZBGU-MHZLTWQESA-N 476.580 5.279 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)CCC2)cc1 1789458100 KPVMDZFVRIMDQB-ZLIGTFTASA-N 493.648 5.146 30 20 JKED C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCCC#C[Si](C)(C)C)cc2)CCC1 1789510069 YILHPEIJIBWZKR-HXUWFJFHSA-N 499.728 5.085 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C(F)(F)F)n4)CCC3)cc2)c1 1790074164 GJCHVNMXTVCEKX-UHFFFAOYSA-N 494.473 5.042 30 20 JKED N#CCc1ccc(C(=O)Nc2ccc(C3(NC(=O)Cc4c(F)cccc4F)CCC3)cc2)cc1 1790707738 NDNINXDFBLMAOP-UHFFFAOYSA-N 459.496 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4cnc5ccc(F)cn45)cc3)CCC2)c1 1790964060 AYAYFTUBVJEZRN-GOSISDBHSA-N 481.531 5.162 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)cc2)CCC1 1791193788 JGDWRDMJICHFLL-UHFFFAOYSA-N 492.513 5.504 30 20 JKED C=CC[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1 1791254269 NVFBPJKCJLODHY-LJQANCHMSA-N 471.557 5.492 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(Cl)cc3)CCC2)cc1 1791585825 NHKJOBDTKUDEDM-QHCPKHFHSA-N 498.023 5.616 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)CNc4ccc(F)cc4)CCC3)cc2)c1 1792122599 NYLQWGHPHAYKPA-LJQANCHMSA-N 470.548 5.313 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cc(-c5ccncc5)[nH]n4)CCC3)cc2)c1 1792124818 JPBWKFVESLPOFC-IBGZPJMESA-N 490.567 5.160 30 20 JKED C=CC[C@H](CC(=O)Nc1ccc(C2(NC(=O)[C@H]3CCC[C@@H]3C)CCC2)cc1)NC(=O)OC(C)(C)C 1792206915 WMBDYTSXVCRSFP-PMOQBDJRSA-N 483.653 5.416 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(-c3ccccc3)n1)C2 1798419995 XGWJRHRYJFNLKR-BKFWDETESA-N 473.693 5.052 30 20 JKED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc2occc2c1 1800504769 MWNJTNNPIMESAT-OUOZDZGXSA-N 474.560 5.398 30 20 JKED Cc1cc(C)cc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C#N)cc(C(F)(F)F)c2)c1 1800743272 HEPADKHUQJGUBR-BKFWDETESA-N 483.534 5.079 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncc(Cl)cc2Cl)[C@H]1c1cccnc1 1802368246 GBPDANLVSVNUPO-DYESRHJHSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(Cl)nc3ccccc23)[C@H]1c1cccnc1 1802502400 CAJPXACXNXGTFN-CPJSRVTESA-N 491.035 5.595 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@@H](F)c3cccc(F)c3)c1)C2 1802631943 MUOAPJHRBQNMFO-SPGPFUFCSA-N 464.556 5.330 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)[C@@H]1c1cccnc1 1803081806 IEWNUMVTVYENAE-PCRJDFRDSA-N 498.671 5.234 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3nc(C)ccc3c2)[C@@H]1c1cccnc1 1803083385 CAQQFZIYPUTGMA-AHKZPQOWSA-N 468.601 5.026 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1 1803092557 WEKCHWWAYMHNEI-DHLKQENFSA-N 485.550 5.117 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC2(CCN(C(=O)C[C@@H](CC=C)NC(=O)OC(C)(C)C)CC2)C1 1804868764 OIJOQQCMTGZKLE-JOCHJYFZSA-N 489.701 5.070 30 20 JKED CC[C@@H](C)[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(OC)c3)CC2)C1)c1ccccc1 1809162220 LYMFWALKLLORDN-AMGIVPHBSA-N 487.644 5.242 30 20 JKED CC#C[C@@H](CC(=O)N1CCC2(CCCN(C(=O)Cc3ccccc3Cl)C2)CC1)c1ccc(O)cc1 1809226603 URSLHBUPRXSYJM-QHCPKHFHSA-N 493.047 5.017 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cc(C)c3ccccc3n2)[C@@H]1c1cccnc1 1809277126 XTOFODNRHQWPTG-GJZUVCINSA-N 470.617 5.250 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CC[C@H](CNC(=O)c3cc4cc[nH]c4cc3Cl)[C@@H]2c2cccnc2)c1 1809403360 SRFQZYYSSJUEPH-RLWLMLJZSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1 1810175136 SPBXKEXICVHMLB-KZQOYIJHSA-N 486.660 5.160 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CC[C@@H](CNC(=O)c4ccc(C#N)cc4Cl)[C@@H]3c3cccnc3)cc2c1 1811745484 LMLGYHBOWHQLOP-FNZWTVRRSA-N 497.986 5.030 30 20 JKED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2c(-c3ccccc3)cn3ccccc23)[C@@H]1c1cccnc1 1812592653 YFKJWNPSQZEHCY-NKQQYQHASA-N 492.623 5.533 30 20 JKED Cc1ccc([C@H](C)C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)cc3Cl)[C@@H]2c2cccnc2)cc1 1812756717 QJSYJMBVZLJHRY-RQADYFSKSA-N 487.003 5.038 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4c(s3)CCCC4)[C@@H]2c2cccnc2)c1 1813865451 FHGJZIFNSDWEDV-RMQVNJIYSA-N 498.652 5.282 30 20 JKED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc([C@@H](F)c4cccc(F)c4)c3)[nH]n2)C1 1814396599 KQGCQGFNMHUQBX-AZGAKELHSA-N 490.554 5.880 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)[nH]n1 1814823862 HORLKGGNQUQNBM-OAQYLSRUSA-N 458.965 5.205 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cc2ccc(OC)cc2Cl)n[nH]1 1815697498 SCXRNJYZMXFIGD-DENIHFKCSA-N 471.001 5.075 30 20 JKED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(C(F)(F)F)c2)[nH]n1 1817118385 BPVBDCABNUMYMO-HXUWFJFHSA-N 496.493 5.100 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C3(C(F)(F)F)CCC3)n[nH]2)c1 1817195077 FDAIMSZUBFEZCC-BEFAXECRSA-N 473.499 5.075 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccncc2-c2cccc(C)c2)n[nH]1 1817738836 RGARWVHFGMPEMQ-RUZDIDTESA-N 487.604 5.069 30 20 JKED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c3ccc(Br)cc23)n[nH]1 1818664187 LRTAFLYLOGTVSB-OAQYLSRUSA-N 496.409 5.153 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3c[nH]c4cccc(Cl)c34)n[nH]2)c1 1819224517 APMJHKIIWHVYHX-NRFANRHFSA-N 490.926 5.175 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccnc2-c2cccc(F)c2)[nH]n1 1819305879 QILXUWNTJHQFGK-XUZZJYLKSA-N 487.579 5.685 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)[nH]n1 1819385539 XDKLFFAFKOJALF-XMMPIXPASA-N 487.680 5.315 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCCC#C[Si](C)(C)C)n[nH]2)c(C)n1 1819386553 SNMXQFYGQYGEES-DEOSSOPVSA-N 493.728 5.098 30 20 JKED C=C(C)CC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C(=O)OC(C)(C)C)C(C)C)[nH]n1 1819552100 FCCCVVOGQFMXJP-FQEVSTJZSA-N 489.661 5.040 30 20 JKED C=CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Br)c(Cl)cc2C)n[nH]1 1820181893 XEAHPJKLSUMXAW-KRWDZBQOSA-N 465.779 5.016 30 20 JKED CC(C)[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C#N)c[nH]2)n[nH]1)c1ccc(Cl)cc1 1820306169 ROTGFHWYYLGKQP-GMAHTHKFSA-N 478.984 5.009 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(Oc4ccccc4)cc3)[nH]n2)c1 1820308620 UUFYQMIYLRKYGU-XMMPIXPASA-N 480.528 5.021 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cnc(-c4ccccc4)s3)[nH]n2)c1 1820484139 HGAIQSPKOSWMRY-NRFANRHFSA-N 482.569 5.025 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(-c4cccnc4)cc3)n[nH]2)c1 1821009179 RJHWRTDWXTYOHO-RUZDIDTESA-N 494.530 5.102 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(F)ccc3Cl)n[nH]2)cc1 1821122083 BYKZKIFKPYMBGT-QFIPXVFZSA-N 479.943 5.013 30 20 JKED N#CCc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[nH]n2)cc1 1821180588 YWFHYDRUXFQRIT-ZDXQCDESSA-N 487.991 5.239 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]c3c(Cl)cccc23)n[nH]1 1821395139 JEDZTEHQVBULBL-BEFAXECRSA-N 466.973 5.014 30 20 JKED Cc1cc2cc(C(=O)Nc3cc([C@@H]4CCCCN4C(=O)c4cccc([C@@H](C)C#N)c4)[nH]n3)ccc2[nH]1 1821586969 ZHNHJRPOEZFRDZ-GKVSMKOHSA-N 480.572 5.446 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1 1821989727 GCIUOKPYHJKLAH-QGZVFWFLSA-N 470.442 5.254 30 20 JKED Cc1scc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc([C@@H](C)C#N)c3)n[nH]2)c1C 1823211120 JYEFSWBZPBBZNN-NYHFZMIOSA-N 461.591 5.335 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(-c4cc[nH]n4)cc3)[nH]n2)c1 1823217127 QGOCLYWNOQNPEN-AVRWGWEMSA-N 493.571 5.047 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3cccc(Cl)c3)CC2)c1 1823983493 JLQNINFVBWWYPC-FNZWTVRRSA-N 494.035 5.279 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(Cl)cc(OC)c2)CC1 1824145726 KMMGNFXPSMASOU-XMMPIXPASA-N 459.030 5.350 30 20 JKED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cc(C(F)(F)F)ccc3[nH]1)CC2 1825254273 MMKDIEPYROCYNQ-CYBMUJFWSA-N 498.477 5.080 30 20 JKED C=CC[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1 1825575419 NSKNCCBJEWZBCC-KBMIEXCESA-N 451.586 5.266 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3csc4c3CCCO4)CC2)c(Cl)c1 1827387146 DHVSLJRKBGIGMN-HSZRJFAPSA-N 498.048 5.145 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)CC1 1827509110 MQKLSSKWTBIVPS-RDGATRHJSA-N 481.040 5.285 30 20 JKED C#CCCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2c[nH]c3cc(OC)ccc23)CC1 1828360186 GHSJJQBWZDPTBQ-VGOCBJJDSA-N 475.633 5.003 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 1828826642 JPDCYTHXCYLBPN-ILBGXUMGSA-N 461.606 5.343 30 20 JKED Cc1cccc(-c2cnccc2C(=O)N2CCC([C@H]3CCCCN3C(=O)C/N=C/c3ccco3)CC2)c1 1828996915 XTGDYYKNWFOEKI-KHCQRQCYSA-N 498.627 5.002 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 1829067223 GAJIVDSERUQLBJ-QFIPXVFZSA-N 451.611 5.362 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)ccc2OC(F)(F)F)CC1 1829675407 MMSITUWNABLFJC-KRWDZBQOSA-N 498.439 5.300 30 20 JKED Cc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(C#N)c[nH]3)CC2)c2ccccc12 1829781443 QWWOOSBYZJINNI-MUUNZHRXSA-N 482.628 5.214 30 20 JKED Cc1cccc2cc(C(=O)N3CCC([C@H]4CCCCN4C(=O)c4cccc([C@H](C)C#N)c4)CC3)[nH]c12 1832633016 ZEXHBRSWWUISNT-JIPXPUAJSA-N 482.628 5.651 30 20 JKED CCCOc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832633665 MLROGAUSTAUZDL-DWACAAAGSA-N 487.644 5.650 30 20 JKED CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C3(C)CCCC3)CC2)cc1C#N 1832702392 ICKAXCYVMIVKQL-DEOSSOPVSA-N 465.638 5.159 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)CC1 1838373763 JKYIZYIVUQCTHN-AREMUKBSSA-N 452.639 5.191 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC12CN(C(=O)c1ccc3ccccc3c1Br)C2 1841319800 HTOHCPVZCOLTOL-UHFFFAOYSA-N 467.407 5.188 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)c1c[nH]c3nc(-c4ccccc4)ccc13)C2 1844253012 KLLWEOJRBJSZMP-UHFFFAOYSA-N 498.703 5.098 30 20 JKED CC(C)Cn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc2ccc(Cl)cc2c1=O 9091483 SEVKUZYWJLFJKY-KRWDZBQOSA-N 469.010 5.133 30 20 JKED CC(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc3c(c2)CCCC3)cc1 10832715 VXSGHGRTCPSZBS-UHFFFAOYSA-O 464.054 6.681 30 20 JKED CC(C)c1ccc(N/C(S)=C(/C(=O)c2ccc(F)cc2F)[n+]2ccc(N(C)C)cc2)cc1 11263610 GEOPFNHGHXGTBS-UHFFFAOYSA-O 454.566 5.493 30 20 JKED C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1Cl 15029441 XCRMWTOHBLINRX-UHFFFAOYSA-N 483.952 5.179 30 20 JKED CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 18589955 HFGRJJWVYCFFAG-CQSZACIVSA-N 468.604 5.457 30 20 JKED COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3SCC#N)n2-c2ccccc2)c1 22161271 YNGHZSSMEBVKRV-UHFFFAOYSA-N 487.610 5.289 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)cc1)=C(/S)Nc1ccc(OC(F)(F)F)cc1 22731720 ZXTJKZLOURSBGQ-UHFFFAOYSA-O 459.513 5.794 30 20 JKED COc1ccc(CCN/C(S)=C(/C(=O)c2ccc(C)cc2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22801791 DCVMKSZNWFPOQZ-UHFFFAOYSA-O 495.668 5.653 30 20 JKED Cc1ccc(Sc2ncccc2C(=O)OCC(=O)Nc2ccccc2SCC#N)c(C)c1 22859530 KRSFFQNLMYLGPW-UHFFFAOYSA-N 463.584 5.261 30 20 JKED CN1/C(=C\C(=O)CSc2nnc(-c3ccccc3Br)o2)C(C)(C)c2ccccc21 23645698 WJMZVANZIZZRKQ-UNOMPAQXSA-N 470.392 5.472 30 20 JKED C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Br)o1 23964493 RLHMAEBKDMNZMP-CYBMUJFWSA-N 464.410 5.256 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)nnc1-c1ccc(Br)cc1 24015678 MMIOSNPFCVJHKJ-SJORKVTESA-N 485.451 5.560 30 20 JKED CC(C)(C#N)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 29151655 SXHXNMCYECIFJO-UHFFFAOYSA-N 471.561 5.605 30 20 JKED COc1ccc(C)cc1-c1csc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 36760821 XUFDGPRBZANPRX-UHFFFAOYSA-N 489.557 5.102 30 20 JKED N#Cc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2Cl)cc1Cl 59801459 RLSQYMSKEWJWDI-UHFFFAOYSA-N 457.292 5.307 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1 72032263 CPBZIWGREABGSL-FQEVSTJZSA-N 470.579 6.018 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C 110489122 UVWWNVFEJXYJOE-UHFFFAOYSA-N 471.948 5.821 30 20 JKED C[C@@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 216056199 BDPRDQLBYLYCPE-SECBINFHSA-N 495.395 5.927 30 20 JKED Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4c(C#N)cnn4-c4ccccc4)c23)cc1 217337075 OPXMYFOPRYAHCU-UHFFFAOYSA-N 482.594 5.455 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccn2)ccc1Cl 253478200 JTZPMRFMTNHWFK-UHFFFAOYSA-N 476.385 5.330 30 20 JKED C=CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nc2sc3c(c2c1=O)CCCC3 255940515 APQUEHFTDIGITE-UHFFFAOYSA-N 488.638 5.366 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1c(C)cccc1C 302766710 KITTZQPUWWSAOI-KRWDZBQOSA-N 456.999 5.433 30 20 JKED COc1ccc(C#N)cc1NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 409630529 LLRBOGKIHCNBAA-UHFFFAOYSA-N 471.773 5.010 30 20 JKED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 409794790 NMWKVYWVCOFBIY-UHFFFAOYSA-N 482.487 6.254 30 20 JKED Cc1c(C#N)c(NC(=O)CCN(C)Cc2ccccc2C(F)(F)F)n(Cc2ccco2)c1C 477337809 IIXZDSQKEOYNCH-UHFFFAOYSA-N 458.484 5.097 30 20 JKED COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 481716803 YKKWEXHZURUKOL-QHCPKHFHSA-N 459.521 5.524 30 20 JKED COc1ccc2[nH]cc(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c2c1 487392250 VHBHWJQQCCXFIU-UHFFFAOYSA-N 470.476 5.295 30 20 JKED CCOc1cc(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)ccc1OC(F)F 498620827 SXMNNRDBCNFRSD-UHFFFAOYSA-N 468.504 5.011 30 20 JKED C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501704942 ZUQJHGMZMDQJCR-AWEZNQCLSA-N 462.402 5.223 30 20 JKED C[C@@H](CC#N)N(C)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 505134092 DXJATGQPLSUSDS-IBGZPJMESA-N 482.005 5.110 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2cccc(C)c2)cc1 505619228 HWNUZROOXHQKRJ-QHCPKHFHSA-N 489.597 5.158 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 505642864 DBDRLKGSAHCAGU-UHFFFAOYSA-N 476.489 5.279 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 505677074 KLHBFLIAZQIXHU-UHFFFAOYSA-N 453.454 5.457 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(Cc2ccco2)Cc2cccs2)cc1 508290894 TZHROVDCVMMXIC-UHFFFAOYSA-N 459.527 6.248 30 20 JKED CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)ccc21 509882045 BTMFCUULQOZTMZ-UHFFFAOYSA-N 459.594 5.071 30 20 JKED Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)N2CCOCC2)o1 510009980 MOVZPJKRGFQKBT-LADGPHEKSA-N 478.980 5.092 30 20 JKED C[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 510158842 DFUKUNYOIVMIKS-MRXNPFEDSA-N 499.065 5.266 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)c12 510985111 ZLCOFRLZIZDALK-UHFFFAOYSA-N 469.492 5.082 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c12 513655464 RERZFKCQSSFUMQ-GOSISDBHSA-N 494.580 5.023 30 20 JKED C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 516021998 XIQOYJUIHHWGGN-VIFPVBQESA-N 454.317 5.161 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)c2)cc1 518106946 XLGFAXIMQGKGLP-UHFFFAOYSA-N 492.579 5.158 30 20 JKED Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 518150887 IFMNCBRDLBMCCL-UHFFFAOYSA-N 451.495 5.917 30 20 JKED CC(C)[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1nc(-c2cccnc2)no1 519197786 RTTMCOATBDQKHA-QHCPKHFHSA-N 486.507 5.240 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)[C@H](C#N)c4nc(-c5c(F)cccc5F)cs4)cc3)o2)cc1 520427571 OXKZAJSHSKAHGT-IBGZPJMESA-N 498.514 6.604 30 20 JKED CCn1c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc2sc(C)c(C)c2c1=O 520813989 YMJFFTSMCQYITQ-ZDUSSCGKSA-N 472.661 5.077 30 20 JKED CCOc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C(F)(F)F)c1 521243119 HYBWQKUDTBPSQS-UHFFFAOYSA-N 474.439 5.079 30 20 JKED CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 523185069 MPLAUNNNVYQCNI-HXUWFJFHSA-N 472.564 5.594 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C 524421730 HWWRJJKSKJXWCP-NDEPHWFRSA-N 494.595 5.249 30 20 JKED CC[C@H](C)n1ncc2c(C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)cc(C)nc21 587989041 RBOUAMSCUDKDQW-ZFWWWQNUSA-N 451.502 5.603 30 20 JKED CC(C)N(CC(F)(F)F)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 589314018 KLLVHEXHVRIEOE-UHFFFAOYSA-N 487.366 5.812 30 20 JKED N#C[C@H](C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1nc2cc(F)ccc2s1 593595406 VQADZOAYGDIRTM-SNVBAGLBSA-N 465.819 5.178 30 20 JKED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc(-c2c(F)cccc2F)cs1 594363335 VGMFZGFRANODHJ-IBGZPJMESA-N 494.544 5.552 30 20 JKED N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)c(-c2ccncc2)n1 602755703 FQJMOBRPCORSBV-DEOSSOPVSA-N 488.473 5.649 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)s2)cc1 603829406 OULSXNOJIYAHER-HXUWFJFHSA-N 499.065 5.314 30 20 JKED C[C@@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 604044891 GYCBXWNNVUILIG-IAGOWNOFSA-N 478.955 5.210 30 20 JKED COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)oc2c1 604387645 BCUFGYGAKHPPNO-UHFFFAOYSA-N 475.504 6.728 30 20 JKED CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 609064839 LTGJCGSVYQVIOQ-UHFFFAOYSA-N 456.527 5.470 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)NCC[C@@H]3C(=O)Nc4ccccc43)cc2Cl)c1 609079930 LOKTWCCOVLOWPD-FQEVSTJZSA-N 460.921 5.038 30 20 JKED CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1=O 609381746 UTEAUKJLFIKCCO-HNNXBMFYSA-N 477.508 5.101 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Br)ccc1OC(F)F 609398662 IFNMOJXWOAATEU-GFCCVEGCSA-N 470.339 5.624 30 20 JKED CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C(C)C)cc1 609400318 YHWTTXCDAILUJK-DVECYGJZSA-N 451.636 5.589 30 20 JKED COc1cc(CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)ccc1OC(F)F 609437044 MCWOFZYDRQAOIQ-OAHLLOKOSA-N 461.534 5.887 30 20 JKED N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1nc2cc(C(F)(F)F)ccc2s1 613404902 QHPSHYSESQNRPA-INIZCTEOSA-N 452.461 5.868 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)nnc1-c1ccco1 614012373 QZJFSHDIXUBCPQ-UHFFFAOYSA-N 457.559 5.149 30 20 JKED O=C(Nc1cccc(CNC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1)c1ccc(F)cc1 618506472 VHYNJPZDIMMLTN-HOTGVXAUSA-N 491.407 5.350 30 20 JKED Cc1cc(/C=C2/SC(=S)N(c3ccc(C#N)c(Cl)c3)C2=O)c(C)n1Cc1ccco1 726626198 AWDYUTKVHGDIGI-AWQFTUOYSA-N 453.976 5.677 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cc(C)cc(C)c2)c1C 727252523 FZTLSLJSODGOJR-DEOSSOPVSA-N 489.645 5.297 30 20 JKED CCc1c(C)sc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)c1C#N 727790841 VHSIESUVEGSPLX-UHFFFAOYSA-N 469.676 6.064 30 20 JKED N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc(OC(F)F)cc3)cc2Cl)c1 728052406 FJVDACIDYZNFHU-UHFFFAOYSA-N 457.864 5.443 30 20 JKED CCOc1ccccc1NC(=O)[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)c1ccccc1 728061964 CEJOZMIVCPGMDV-GDLZYMKVSA-N 477.564 6.328 30 20 JKED N#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 728780412 SKTLOPSRNWTLCE-DEOSSOPVSA-N 481.581 5.366 30 20 JKED COc1ccc(-c2nnc(SCc3ccc(OCC#N)cc3)n2C2CCCCC2)cc1OC 729241394 ZQGQNWGIQWDHPH-UHFFFAOYSA-N 464.591 5.662 30 20 JKED Cc1csc([C@](O)(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C(F)(F)F)n1 729320453 XXVDOPKWKPGKFT-LAUBAEHRSA-N 479.911 5.539 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ncccc3C)C2=O)c1 729632118 YBBXRXQSGJUBPY-RUZDIDTESA-N 486.641 5.784 30 20 JKED N#Cc1ccc(OC(F)F)c(NC(=O)c2sc3cc(Br)ccc3c2Cl)c1 729831058 QCAPDDGAHQBAAF-UHFFFAOYSA-N 457.683 6.043 30 20 JKED O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(C(F)(F)C(F)(F)F)cc1 729878629 RKEKENWPLALOQO-AWEZNQCLSA-N 458.305 5.094 30 20 JKED C[C@H](/N=C1/S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1C1CCC1)c1cccs1 730462292 MIMZIGZLWAVQIT-HQABRTMTSA-N 492.464 5.453 30 20 JKED N#C[C@H](C(=O)CCc1cc(Br)cs1)c1nc(-c2ccc(Cl)cc2)cs1 730688386 VUUTXQJIISZTRV-OAHLLOKOSA-N 451.798 6.097 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 730944781 ZWUACKVXYOTSAX-BVZFJXPGSA-N 498.583 6.095 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 731029882 IFMCNVUDKCTJAB-LJQANCHMSA-N 480.634 5.277 30 20 JKED Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccccc2F)cc1F 731307147 CTABYXKAQNJRDE-QFIPXVFZSA-N 481.524 5.139 30 20 JKED Cc1cc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2ccccc2F)ccc1F 731311218 ZAMFPJZIOVGRJZ-QFIPXVFZSA-N 481.524 5.139 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 731407014 QTMNALUDCJJEMT-LJQANCHMSA-N 478.662 5.102 30 20 JKED Cc1ccc(F)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC(F)(F)F)c1 743523776 CYUHIXHRCMTUQX-GOSISDBHSA-N 467.488 5.274 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3nc(C(C)C)ncc3Cl)c2C#N)C1 744676019 PYBWNVMZSZYWDM-AWEZNQCLSA-N 489.041 5.523 30 20 JKED Cc1ccc(C(C)C)c(OCc2nnc(S)n2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 744761731 PIHBOQCPVHVLER-UHFFFAOYSA-N 477.546 5.628 30 20 JKED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 746663798 HYVOSCFVOTUFDR-ZVZGQBRVSA-N 483.421 5.031 30 20 JKED COCCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 746696526 ORPWTNBBUFSPPG-NRFANRHFSA-N 475.561 5.050 30 20 JKED COc1ccc(C)cc1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1ccc(Cc2ccccc2)cc1 748293588 OAWIEJDVNWISQI-UHFFFAOYSA-O 492.624 6.077 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N([C@H](C)c3ccccn3)C2=O)cc1 837707547 LPWORBRQVWTFKH-VGSWGCGISA-N 479.005 5.765 30 20 JKED CC(=O)C1=C(c2ccc(Cl)cc2)N(Cc2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1cccc(C#N)c1 840081200 RGIXEMOZYGIQDK-DEOSSOPVSA-N 485.927 5.177 30 20 JKED O=C(COC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(F)cc1F 843419870 CXTOPQBRWCQHPH-DAFODLJHSA-N 453.285 5.198 30 20 JKED CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)ccn1 856656652 REDCSRBXAIXUOV-XMMPIXPASA-N 488.563 5.018 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@@H](C)C2CC2)ccc1Cl 914687962 JQANLTXCPVKSHO-INIZCTEOSA-N 493.456 5.778 30 20 JKED Cc1ccc(NC(=O)CS[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 915101321 HCWYKOZQLBDYLF-BEFAXECRSA-N 470.019 5.709 30 20 JKED N#C[C@H](C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 915102715 FGYILSRHYOEDMP-MRXNPFEDSA-N 489.340 5.021 30 20 JKED COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3Cl)N(CC3CCC3)C2=O)c(OC)c1 915116198 DMQDRWHTYJBYRR-OAQYLSRUSA-N 488.009 5.118 30 20 JKED C=CCn1c(SCC(=O)c2ccc3c(c2)CCN3C(=O)CC)nnc1-c1ccc(Cl)cc1 915993851 PHIAYFLDLLPPQB-UHFFFAOYSA-N 466.994 5.059 30 20 JKED CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 916128167 SQLGAYBVYWQYSN-SAPNQHFASA-N 480.568 5.078 30 20 JKED CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N(C2CCCC2)C1=O 916215363 UDAUNZQNFVUUOU-QHCPKHFHSA-N 481.618 5.387 30 20 JKED COc1cc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc(Cl)c1OC 916272566 BPOCSQAAGJHDRS-UHFFFAOYSA-N 474.369 5.640 30 20 JKED COc1cc(C=NNc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 916345857 PNDCRBZGHPYIOP-UHFFFAOYSA-N 471.479 5.794 30 20 JKED Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[C@H](C#N)c1nc(O)c2c3c(sc2n1)CCCC3 916846862 GVBPCONYCVDVFI-IBGZPJMESA-N 492.004 5.151 30 20 JKED CCCCN1C(=O)CC[C@H](C(=O)[C@@H](C#N)c2ccc3ccccc3n2)[C@@H]1c1ccccc1OC 916849600 YFWRVNPJSCFDGO-BERHBOFZSA-N 455.558 5.200 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CSc1cc(C)c(Br)cc1C 916899626 KXGLINQGIWMLTL-GOSISDBHSA-N 473.436 5.630 30 20 JKED COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 916901834 AYBBGWLOAIICDB-MRXNPFEDSA-N 472.328 5.246 30 20 JKED N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 916910127 FFDGNBZOZYHKST-QGZVFWFLSA-N 497.780 5.128 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1 916948647 IRYDPRHJGOLXQC-YCRPNKLZSA-N 465.351 5.109 30 20 JKED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)cc1 916953763 MOAXXEXGTWIEDO-FQEVSTJZSA-N 478.961 5.078 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1 916954471 IDVUCJOCAMPOKF-HXOBKFHXSA-N 465.557 5.418 30 20 JKED N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1nc2cc(Cl)ccc2s1 917045885 BYWGBIYBVKSBKU-BBRMVZONSA-N 477.895 5.193 30 20 JKED COc1cc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc(Br)c1OC(F)F 917537731 AMTAYNXYWUHIBM-UHFFFAOYSA-N 489.729 5.142 30 20 JKED COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 917669059 MUCZOECYUQSUNV-XMMPIXPASA-N 482.561 6.266 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3C)N([C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 917669680 CUIXJLAFEOCKJG-CUYJMHBOSA-N 490.673 5.199 30 20 JKED CN(C)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 917678462 USCAIDOYGTYSQI-OAQYLSRUSA-N 482.993 5.160 30 20 JKED CCCCCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1nc2ccccc2s1 918548619 HJHBDMKEQQXRBK-UHFFFAOYSA-N 460.607 5.374 30 20 JKED Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1ccc(-n2cccn2)nc1 918556531 VMPXZYKWRFXDEH-JOCHJYFZSA-N 484.541 5.102 30 20 JKED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C3CC3)[C@@H](C)c3ccc(Cl)cc3)nc12 920305138 IBTHJYZZYNOKGT-INIZCTEOSA-N 466.010 5.203 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(COC(=O)CCc2ccc(C#N)cc2)cs1 920517935 OIHMOWPUMUKTGR-UHFFFAOYSA-N 473.476 5.394 30 20 JKED Cc1cccc(-c2nnc(-c3ccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c4ccc(F)cc4)cc3)o2)c1 928987819 IEFNUPJDZZFKGU-IBGZPJMESA-N 498.514 5.343 30 20 JKED N#Cc1ccc(CCC(=O)Nc2ccc(C3(NC(=O)c4nccc5occc45)CCC3)cc2)cc1 1785796797 NWCRRZFMWLEVLY-UHFFFAOYSA-N 464.525 5.080 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)[C@@H]4C[C@H]4C4CC4)cc3)CCC2)cc1C#N 1786060572 VPDPFQDUSUXDNS-BJKOFHAPSA-N 457.574 5.139 30 20 JKED C=CCC(CC=C)C(=O)Nc1ccc(C2(NC(=O)c3cc(Br)cnc3C)CCC2)cc1 1786102458 OBBLDIXSRDRQJT-UHFFFAOYSA-N 482.422 5.669 30 20 JKED N#Cc1ccc(CC(=O)NC2(c3ccc(NC(=O)Cc4cccc5ncccc45)cc3)CCC2)cc1 1786344375 HITMXZZRPCZIQX-UHFFFAOYSA-N 474.564 5.026 30 20 JKED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(Cl)cc3C(F)(F)F)CCC2)cc1 1786365882 ZHCMFXVACLLCIE-HNNXBMFYSA-N 478.898 5.145 30 20 JKED CC(C)[C@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)CCC2)cc1 1786394014 NSWVFLGHVIEENE-DEOSSOPVSA-N 488.613 5.525 30 20 JKED O=C(CC(F)(F)F)Nc1ccc(C2(NC(=O)c3cccc(C(F)(F)F)c3F)CCC2)cc1 1787876672 QDNHTPJYHXRQKF-UHFFFAOYSA-N 462.365 5.545 30 20 JKED N#CCCC(=O)Nc1ccc(C2(NC(=O)c3cc(OCc4ccccc4)ccc3O)CCC2)cc1 1787889005 YJYFBLNKYKBLGG-UHFFFAOYSA-N 469.541 5.023 30 20 JKED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@H]3c3ccccc3N4)cc2)CCC1 1787951696 RMYZFDLGCYAEIR-OEMFJLHTSA-N 456.590 5.048 30 20 JKED C=CCC(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H](C)CCCN3C(=O)OCc3ccccc3)cc2)CCC1 1789215933 IRZWXPKYCHLODQ-LVXARBLLSA-N 489.616 5.134 30 20 JKED C=CC[C@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccn4)nc3)CCC2)cc1 1789453114 LKOPOINJQJVJOG-HSZRJFAPSA-N 467.573 5.055 30 20 JKED Cc1ccc2c(/C=C/C(=O)NC3(c4ccc(NC(=O)/C=N/N5CCCCC5)cc4)CCC3)c[nH]c2c1 1789518216 VAHSLXKHHFTIQT-CZLSGWMZSA-N 483.616 5.095 30 20 JKED O=C(C/N=C/c1ccco1)Nc1ccc(C2(NC(=O)c3cnc(-c4ccccc4)s3)CCC2)cc1 1789576035 NEUWLMXSRAFLGD-LQKURTRISA-N 484.581 5.270 30 20 JKED COc1ccsc1C(=O)Nc1ccc(C2(NC(=O)/C=C/C(=O)c3cccs3)CCC2)cc1 1789931527 AMOUYMZWWYBGBE-MDZDMXLPSA-N 466.584 5.005 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4cccc(C#N)c4Cl)CCC3)cc2)c1 1790074125 DJWMFPSHXQYUBR-UHFFFAOYSA-N 484.943 5.153 30 20 JKED N#Cc1c[nH]c(C(=O)Nc2ccc(C3(NC(=O)c4ccc(F)cc4C(F)(F)F)CCC3)cc2)c1 1790148343 MNDYSANGLBJEPY-UHFFFAOYSA-N 470.426 5.106 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)CCCCCCC(=O)OC(C)(C)C)cc3)CCC2)C1 1790562180 ZOANGAHKWGZPKV-UHFFFAOYSA-N 468.638 5.769 30 20 JKED Cc1occc1C(=O)NC1(c2ccc(NC(=O)c3ccc(Br)c(C#N)c3)cc2)CCC1 1790745745 YLHZXUSYXXBTOT-UHFFFAOYSA-N 478.346 5.284 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cc4c(s3)CCN4C(=O)OC(C)(C)C)CCC2)cc1 1791587655 BRQFEYDBGDPBMG-UHFFFAOYSA-N 481.618 5.370 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4cnc(C(C)(C)C)cn4)CCC3)cc2)c1 1792123444 AXUILWYHDRTCDZ-IBGZPJMESA-N 481.600 5.463 30 20 JKED C=C(C)CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F)C2 1798591756 GNRYTRJQCUCBNX-ACDBMABISA-N 487.616 5.417 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1800009584 RILDLLZZNGMBIA-AIDNLNPPSA-N 480.052 5.648 30 20 JKED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)[C@H]2c2cccnc2)C1 1802416049 MLMZRGXRIIUKKN-UTKZUKDTSA-N 477.914 5.040 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@@H]1c1cccnc1 1802490407 CIPPPCGGNGILLP-VRIJDZSUSA-N 481.587 5.162 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)CSc2c(C)cccc2C)[C@H]1c1cccnc1 1802498827 NWBMSFPNAFSNOR-NOZRDPDXSA-N 479.690 5.489 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 1802500382 NGNDAMJKWMPJCN-NFBKMPQASA-N 498.549 5.284 30 20 JKED C=CCSCC(=O)NC[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H]1c1cccnc1 1804176795 VOWUNQVUOPRGQU-VGOFRKELSA-N 486.062 5.189 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC2(CCCN(C(=O)CSc3ccc(F)cc3F)C2)CC1 1805926352 JRLCSSWBFKPZLE-UHFFFAOYSA-N 464.622 5.281 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2-c2ccccc2)[C@H]1c1cccnc1 1808742921 LFVBZGWWBNASPD-INNMJMHTSA-N 480.612 5.232 30 20 JKED CC[C@H](C(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)CC2)C1)c1ccccc1 1809015882 GZNZZIMORYNAQT-DEOSSOPVSA-N 497.561 5.616 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[C@H]1c1cccnc1 1810171547 GKRRYGBOCQTEBF-RHGZZMJMSA-N 478.036 5.313 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC[C@H]1CCN(C(=O)/C=C/C2CCCCC2)[C@H]1c1cccnc1 1810272892 TVEFFEWPTKPOEL-BYJLBXDESA-N 479.741 5.275 30 20 JKED CC#CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)ccc2C)[C@H]1c1cccnc1)c1ccccc1 1810441219 ORIBXJCPOCHTDZ-MPYJOUPCSA-N 483.587 5.046 30 20 JKED CC[C@H](C)[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(C)cc(C#N)c2)[C@@H]1c1cccnc1)c1ccccc1 1811929530 HLFWUCQNSFQNOB-CJBSCAABSA-N 494.639 5.411 30 20 JKED C#CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(Br)cc(C(C)C)c2)[C@@H]1c1cccnc1 1811983660 ORAIKNOBXACYLJ-CPJSRVTESA-N 496.449 5.091 30 20 JKED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H]1c1cccnc1 1813059450 MCKKFDNRNATLAK-BTYSJIOQSA-N 476.580 5.193 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc(C)c2Cl)[C@H]1c1cccnc1 1813820630 DMAXIBWVXQFSQR-ZJSXRUAMSA-N 451.998 5.131 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(OCC3CC3)c(F)c2)[C@H]1c1cccnc1 1813989363 XYYPOYXUDRDXOP-JYFHCDHNSA-N 493.623 5.322 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CCc3ccc(F)c(F)c3)n[nH]2)c1 1814665167 NFICSFOENLGBDL-OSPHWJPCSA-N 491.542 5.254 30 20 JKED C=CCC(CC=C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3nn2)[nH]n1 1814829069 KJMCGVYORHYTNT-QFIPXVFZSA-N 478.984 5.081 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccnc4ccccc34)n[nH]2)c1 1818445522 YUWDPGXMVSWUOK-CJAUYULYSA-N 478.556 5.205 30 20 JKED C[C@@H]1CCC[C@H]1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)cc(C(F)(F)F)c2)[nH]n1 1818959845 FHEIZDVZIXMFJO-LXGCGDOSSA-N 473.499 5.042 30 20 JKED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccccc2-c2ccc(C)cc2)[nH]n1 1820973969 RUXLCTPQJPEWMH-NLFFAJNJSA-N 487.604 5.492 30 20 JKED N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)cc1 1821031719 CZDRAIGLWRJHHM-OAQYLSRUSA-N 483.906 5.027 30 20 JKED Cc1cc(C)c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(CC#N)cc3)n[nH]2)c(C)c1 1821183232 SFSHQFHRFQCCCP-HSZRJFAPSA-N 455.562 5.021 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C34CCC(CC3)CC4)[nH]n2)c1 1823216017 NDDISIILRYUILP-GMFFSCQLSA-N 459.594 5.313 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(OC(C)(C)C)cc3)[nH]n2)c1 1823216287 FZCVIMVZRCHZOE-KBMIEXCESA-N 499.615 5.834 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCCC(=O)Nc2ccccc2)CC1 1824155470 OSIMLHJGUNZYDT-CLJLJLNGSA-N 479.665 5.184 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)C(=O)c3ccc(Cl)cc3)CC2)c1 1824164878 IPHRDWGYEJTZDW-DFBJGRDBSA-N 492.019 5.083 30 20 JKED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1 1824537133 CJBRNFCSJOHDMS-IRLDBZIGSA-N 462.059 5.009 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1 1824888353 BFTBSPYGVXPRKB-VMPREFPWSA-N 491.720 5.287 30 20 JKED Cc1ccc(C)c(OCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C#N)cc3Cl)CC2)c1 1824951674 PEEGJSVYNYCJCT-VWLOTQADSA-N 494.035 5.141 30 20 JKED Cc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C/C(=O)c3cccs3)CC2)s1 1825163793 YCVDFGIPTBRAHU-RSNBEDGSSA-N 484.687 5.109 30 20 JKED CC#C[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCCCC2)CC1)c1ccc(O)cc1 1826283403 FXPIHNQVYFLUFS-VPUSJEBWSA-N 464.650 5.089 30 20 JKED N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CSc3ccccc3)CC2)c1Cl 1826519141 BJCAPOPGHZVCMW-QHCPKHFHSA-N 482.049 5.237 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccco3)no2)CC1 1827416250 IPYRSMHLSDDOEP-NRFANRHFSA-N 453.583 5.160 30 20 JKED Cc1c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C3(C#N)CCC3)CC2)[nH]c2c(Cl)cccc12 1827519086 BBURBQIDXFISKN-OAQYLSRUSA-N 467.013 5.057 30 20 JKED CC(C)=NO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 1827519146 CYMOSTOWHQKHGQ-PGRDOPGGSA-N 487.044 5.164 30 20 JKED C[Si](C)(C)C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 1828256941 MYDRYFKKRVJQBG-VWLOTQADSA-N 478.709 5.717 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]43)CC2)cc1 1828459344 LYFMNICHPJNULD-QZQBRAAYSA-N 475.677 5.592 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3cc(Br)ccc3c2)CC1 1828508083 LYHCLFANJZXNTM-HSZRJFAPSA-N 482.422 5.139 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc4cccc(C)c4[nH]3)CC2)c1 1828549570 MSDHFHHWTNJZSY-SANMLTNESA-N 468.601 5.204 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)Sc2cccs2)CC1 1828778339 PWYTXBPWHXCQLF-CEMLEFRQSA-N 460.709 5.617 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCN(c3ccccc3)CC2)CC1 1828823372 FTDZBHUQNFDFBU-WUFINQPMSA-N 477.693 5.291 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1 1828828676 PHZHXZJQMUBKCT-NBGIEHNGSA-N 469.576 5.448 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc3nn(C)cc3c2)CC1)c1ccccc1 1829034618 AVTKRMVQBDNEME-PXJZQJOASA-N 496.655 5.004 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)c2ccccn2)CC1)c1ccccc1 1829035027 JGTYLEBHTFTDCI-PAUTXSKSSA-N 471.645 5.002 30 20 JKED C[C@@H](Sc1ccccc1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2Cl)CC1 1829685964 UGRTYVCFVVQEID-DVECYGJZSA-N 496.076 5.626 30 20 JKED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1 1830417634 FVRSTAJROBQGDT-CJFMBICVSA-N 489.616 5.620 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=C\c3c[nH]c4ccccc34)CC2)c1 1830714202 UPMDQVABXJJKQP-YLYQOIPRSA-N 484.575 5.125 30 20 JKED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2Br)CC1 1830987926 ODWFMNGQYVTSSZ-JOCHJYFZSA-N 482.422 5.139 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(OC(F)F)cc2Cl)CC1 1831446743 PEMBLGAREPKVPL-IBGZPJMESA-N 490.925 5.386 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 1831852352 FJCJIXXWNCUTJG-OAQYLSRUSA-N 479.846 5.139 30 20 JKED C=CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 1831947571 NDOMUMOEHQOKJZ-QFIPXVFZSA-N 473.455 5.067 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)c1 1832630690 KSBCPWDTKCDKSO-VGSWGCGISA-N 487.522 5.473 30 20 JKED Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@@H](C)C#N)c3)CC2)cc1 1832635081 STPBYYDCUNBLOE-WXVAWEFUSA-N 457.618 5.098 30 20 JKED CC(C)[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1832705236 PAUXIWVFFIFEER-WOJBJXKFSA-N 474.564 5.032 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 1838423804 FCUBRAQDMLNWCM-UHFFFAOYSA-N 480.571 5.310 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)c2c(CC(C)C)oc3ccc(OC)cc23)C1 1843152155 AKWFORXINMXXFT-OAQYLSRUSA-N 464.606 5.225 30 20 JKED Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1C 11018145 UNNXPNAPXKTEKS-UHFFFAOYSA-N 470.602 5.417 30 20 JKED O=C(/C(=C(\S)Nc1cccc(Br)c1)[n+]1ccccc1)c1ccc(Br)cc1 15247584 XXUYNPCQFJKOBM-UHFFFAOYSA-O 491.228 5.550 30 20 JKED CCn1c(SC[C@@H](C#N)CCC#N)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 15248040 AMPPDBTWQVLJKX-LJQANCHMSA-N 452.587 6.024 30 20 JKED O=C(Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)c1cc2sc3ccccc3c2s1 15854906 ZDOOYAIUKCSEEH-UHFFFAOYSA-N 483.640 5.619 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2sc(-c3ccccc3)c(C)c2c1=O 17131762 HODKMEJWXJUMRA-KRWDZBQOSA-N 486.622 5.610 30 20 JKED CCCCCCn1c(SCC(=O)NC2(C#N)CCCCC2)nnc1-c1c[nH]c2ccccc12 22116953 AOARCAFDEOKZSM-UHFFFAOYSA-N 464.639 5.441 30 20 JKED C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(OCc3ccccc3)cc2)nc1C 30670970 PWXWCDZEBNZDFZ-UHFFFAOYSA-N 463.588 5.016 30 20 JKED N#C[C@@H](C(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1)c1nc(-c2ccccc2)cs1 71869015 MQRNFIDGNTYIHG-KRWDZBQOSA-N 481.990 5.129 30 20 JKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)Nc2ccccc2C#N)c1OC 409716442 BPEGUQAHUGRJLE-VLGSPTGOSA-N 461.521 5.863 30 20 JKED C=CCn1c(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nc2scc(-c3ccccc3)c2c1=O 496538319 UOOCHCHJIFKXOB-JOCHJYFZSA-N 490.654 5.139 30 20 JKED N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 497878582 AXTUXPDUQCGWFL-KRWDZBQOSA-N 457.496 5.204 30 20 JKED COc1cccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)c2c[nH]c3ccccc23)c1OC 503709573 QBFCIRHOZWRXLC-QHCPKHFHSA-N 454.530 5.205 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccccc2C(F)(F)F)cc1Cl 506402232 IEYZMTJJDNKHPT-HXUWFJFHSA-N 485.893 5.312 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CC1 508791466 XBQAPVXEXDAOOE-UHFFFAOYSA-N 478.980 5.304 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)o1 509949775 VGAYRHLBECQOCC-URSPUVDMSA-N 460.669 5.484 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1Cl 510023804 OXHFWCNSKJQLSC-LADGPHEKSA-N 473.960 6.136 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)c3cc(F)ccc3I)c2)cc1 512232622 BFIHZXSBSHNNSG-UHFFFAOYSA-N 486.284 5.328 30 20 JKED N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 513938867 XVLWPJFOMDYFEU-UHFFFAOYSA-N 456.521 5.168 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccccc1F 515353860 OMGYRXJZXCSYEI-LBPRGKRZSA-N 457.531 5.138 30 20 JKED N#C[C@H](C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F 515540968 JOWKMBXKFYHIMF-OAHLLOKOSA-N 460.465 6.305 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Br)cc3C(F)(F)F)CC2)cc1 515794890 JHDYLXJWBLEDAG-UHFFFAOYSA-N 481.316 5.079 30 20 JKED N#Cc1ccc(CN2CCCN(C(=O)N[C@H](CCc3ccccc3)c3ccccc3)CC2)cc1 515902918 HNBGJPURQKCMHW-MUUNZHRXSA-N 452.602 5.150 30 20 JKED N#Cc1ccccc1CSCCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 517106638 AGUDPJHDKKKAEP-UHFFFAOYSA-N 485.440 5.905 30 20 JKED CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 518074190 YOVXSGSNSJOTAU-LSDHHAIUSA-N 462.662 5.048 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 519501231 RBBPJMUQMHPIHP-UHFFFAOYSA-N 490.003 6.048 30 20 JKED COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 520190911 QUMZCHPVQGBIBJ-AVRDEDQJSA-N 451.592 5.172 30 20 JKED Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)Nc4ccccc4S[C@H](C)CC#N)CC3)n2)cc1 520195806 MLSILDLMXUSPOV-UXHICEINSA-N 490.633 5.350 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 520514685 VMYQRVPQLFJRKY-HSZRJFAPSA-N 460.965 5.708 30 20 JKED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1 521561901 SWIPKUIFJZLVHB-OAHLLOKOSA-N 453.539 5.028 30 20 JKED Cc1csc([C@H](C#N)C(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)n1 524072676 NIFSEOXDVUZNMA-OAHLLOKOSA-N 484.425 5.654 30 20 JKED C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 555738350 HHTFQBIHTOJXNN-NRFANRHFSA-N 455.558 5.605 30 20 JKED N#C[C@@H](c1ccccc1)N1CCN(Cc2nc(O)c3c(-c4ccccc4Cl)csc3n2)CC1 560668221 IRGIXNFMQIWURA-NRFANRHFSA-N 476.005 5.100 30 20 JKED O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)Nc1cccc(C#Cc2cccs2)c1 588940208 CEJNHUAGDUPQGY-UHFFFAOYSA-N 481.581 5.186 30 20 JKED Cc1c(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)nnn1-c1ccccc1Cl 590995285 SFGZHFQKTLEVGT-LBPRGKRZSA-N 461.856 5.348 30 20 JKED Cc1nc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)sc1-c1nc2ccccc2n1C(F)F 591545720 WRYUDXJNUZXVHM-CYBMUJFWSA-N 453.474 5.141 30 20 JKED N#Cc1c(NC(=O)CCSc2nnc(-c3ccc4ccccc4c3)o2)sc2c1CCCC2 603726688 SKIWJTBHWUHTJB-UHFFFAOYSA-N 460.584 5.823 30 20 JKED N#Cc1ccc(CSc2nnc(NC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)s2)cc1 603829313 GWYCOONSTHKPKJ-KRWDZBQOSA-N 492.655 5.723 30 20 JKED N#Cc1ccc(Oc2ccc(NC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)cc2)cc1 604461948 ZBUHHLUZDQNJKC-GJZGRUSLSA-N 471.401 6.382 30 20 JKED COc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)o2)cc1 604497256 AIPTXKXKKBMSFF-UHFFFAOYSA-N 469.516 5.835 30 20 JKED COc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C(F)(F)F)c1 608843194 GYBOIOVCQVQSHV-UHFFFAOYSA-N 471.454 5.637 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccnc(Sc3ccccn3)c2)c1 608853664 RKZSLFXYTUHWNR-UHFFFAOYSA-N 497.605 5.483 30 20 JKED C=CCN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 608869971 DSCAQJIDGDIPDQ-NRFANRHFSA-N 462.575 5.150 30 20 JKED COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C)c(I)c3)n2)cc1 609089792 DQCPSCJWQAIZLW-MRXNPFEDSA-N 474.323 5.222 30 20 JKED CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(Cl)cc1 609402641 FBHLOYPQLIDPQN-YLJYHZDGSA-N 458.027 5.824 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)cc2)c1 609426968 CZGBIBANJYLRLY-UHFFFAOYSA-N 468.534 5.577 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 609434930 CXBYZEXSQZPGIS-LJQANCHMSA-N 455.587 5.801 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 609438097 BQKXJVSUQVACPT-KRWDZBQOSA-N 462.550 5.794 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc12 613291070 SAIHQQARRAGSGG-FQEVSTJZSA-N 456.958 6.146 30 20 JKED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccccc1OC 617993283 OQNSLQQXRSJBKR-OAHLLOKOSA-N 487.423 5.330 30 20 JKED C=CCc1ccc(OCC(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)c(OC)c1 620258839 LHVUZBLYLUTJHR-SFHVURJKSA-N 496.995 5.108 30 20 JKED Cc1c(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cnn1-c1cccc(C(F)(F)F)c1 642158729 UVTJOYJNRNJXEU-CHWSQXEVSA-N 487.366 5.839 30 20 JKED Cn1ccnc1[C@@H](NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1cccc(F)c1 642339812 ZVBOXXVERCNDFA-PKOBYXMFSA-N 461.381 5.310 30 20 JKED N#C[C@H](C(=O)c1cccn1Cc1ccncc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 726322205 RBRQHVQHLQEOLG-QGZVFWFLSA-N 453.354 5.852 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H](C)c2ccccn2)c1 726411708 NYGIIFLGHQXIJO-UZUQRXQVSA-N 489.000 5.438 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(Cc3cscn3)C2=O)cc1 726421271 PAWPTFUJEABWDI-WLFAEHHCSA-N 470.645 5.103 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 726695346 DACBBHRZWNLEOY-WIOPSUGQSA-N 481.531 5.943 30 20 JKED Cn1c([C@@H](C#N)C(=O)CCCCCc2ccc(I)cc2)nc2ccccc21 726858815 PRPHRSHMMKKEQC-SFHVURJKSA-N 471.342 5.157 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CCC2)cc1 727040160 PAXTWIDCNPOLJP-XMMPIXPASA-N 457.961 5.172 30 20 JKED C=CCN1C(=O)N[C@@H](c2cc(F)c(F)c(F)c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C1C 728013988 ARWCZPKJCMIUGH-IBGZPJMESA-N 469.385 5.288 30 20 JKED N#Cc1cccc(COc2ccc(NCc3nc(-c4ccc5c(c4)OCO5)no3)cc2Cl)c1 728051930 SSTZOUQWQYAMJN-UHFFFAOYSA-N 460.877 5.181 30 20 JKED FC(F)Oc1ccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c(OC(F)F)c1 728152686 KROJYQXYVRZBPU-UHFFFAOYSA-N 451.298 5.570 30 20 JKED C#Cc1cccc(N(C)C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC=C)c1 728482861 MWWSKQCHGPBNBY-UHFFFAOYSA-N 457.386 5.174 30 20 JKED Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCC#N)c1 728777197 JMJVXJIVVBXJFN-NRFANRHFSA-N 452.555 5.097 30 20 JKED CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CCCCC#N)cc1 728780565 UKLJSHDQGQQYIE-QFIPXVFZSA-N 499.036 5.701 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1OC 729430612 YWVSIOVWUCBMEA-HXUWFJFHSA-N 475.574 5.061 30 20 JKED N#CCN(C(=O)COC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccccc1 729873076 UPXZXSKMKGIYOU-UHFFFAOYSA-N 463.740 5.031 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cccc3ccccc23)N(C2CCC2)C1=O 730460351 YVBMVFRSGPIHSJ-QHCPKHFHSA-N 459.571 5.361 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 731060385 UMPGXRQPGDJZDX-LBPRGKRZSA-N 462.955 5.884 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C2SCCCS2)cc1 731063104 HVLINBJAXIKIDP-MRXNPFEDSA-N 472.657 5.603 30 20 JKED N#Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(O)c3)SC2=Nc2cccc(Cl)c2)cc1 731307000 ZDZNMOVYBXOXFB-QFIPXVFZSA-N 490.972 5.078 30 20 JKED Cc1ccc(F)c(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H](C)c2cccnc2)c1 743524215 IFRFGVMOESRJGA-ZHRRBRCNSA-N 480.540 5.390 30 20 JKED CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)Nc1cc(C)ccc1F 744117401 VWWVMSQPHWZXEH-UHFFFAOYSA-O 452.575 5.302 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cscn2)C1=O)Nc1ccccc1F 747600090 NITJLTOTBDYYIA-SFHVURJKSA-N 474.970 5.096 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 750303468 MEHQRCLEDDPCJV-HSZRJFAPSA-N 485.462 5.085 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(CC(F)(F)F)C2=O)c1 799210723 CUHUHIAWXFUULJ-LJQANCHMSA-N 463.525 5.443 30 20 JKED C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1cccc(Cl)c1C 799212096 FNDWDOAIXTVWBB-OAQYLSRUSA-N 469.994 5.031 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(OC(F)F)cc3)N(CC(F)(F)F)C2=O)cc1 799216757 GPXLJARXLUPNSW-INIZCTEOSA-N 487.450 5.119 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c([N+](=O)[O-])c1 837770120 HBYSYDAITSVUBR-FQEVSTJZSA-N 498.561 5.264 30 20 JKED COc1cc(NC(=O)c2ccco2)c(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1OC 898301427 ARYXTOLBPKKASZ-UHFFFAOYSA-N 472.522 5.263 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CCCC2)c1 913120321 GQLVCOLCPZSNBM-HSZRJFAPSA-N 478.618 5.165 30 20 JKED Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)NCc2ccccc2)C(=O)N1[C@H](C)c1cccnc1 914541468 UJZMMXLGEQVNLP-WZONZLPQSA-N 493.032 5.443 30 20 JKED COCc1ccccc1CN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccccc1 914545652 FWIMMGOHVFZWNN-XMMPIXPASA-N 489.597 5.002 30 20 JKED C=CCN(C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)c1)C(C)C 914683098 GAFXDDPXUHQNMG-UHFFFAOYSA-N 478.614 5.127 30 20 JKED N#C[C@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 915102344 XLBKPMCZKWVJQE-CQSZACIVSA-N 460.868 5.708 30 20 JKED COc1cc(/C=C\C(=O)c2ccc(C#N)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 916134241 IYWDKFHVUUYQBN-WMZJFQQLSA-N 464.880 5.273 30 20 JKED COc1cc(/C=C2/CN(C(C)C)C/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O 916135915 XZIXKEGBQFSZKI-CTLOIQRLSA-N 478.372 5.182 30 20 JKED CCOCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 916209114 FCFHZJIVQNXYIG-HXUWFJFHSA-N 477.989 5.174 30 20 JKED COc1cccc(NC(=O)C[C@H]2SC(=Nc3cccc4ccccc34)N(Cc3ccccn3)C2=O)c1 916217052 CQRSEPIVKGGDFO-RUZDIDTESA-N 496.592 5.404 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc2ccccc12 916217668 UMUAFKXMLMGQFK-HSZRJFAPSA-N 457.555 5.189 30 20 JKED Cc1nc2sc3c(c2c(=O)n1N=Cc1cn(Cc2ccccc2)nc1-c1cccnc1)CCCCC3 916272583 CNBVXXOQOQGEGN-UHFFFAOYSA-N 494.624 5.224 30 20 JKED Cc1ccc(N(CCC(=O)[C@H](C#N)c2nc3ccccc3s2)S(=O)(=O)c2ccc(C)cc2)cc1 916627203 FGFMREAHXJARKM-QFIPXVFZSA-N 489.622 5.375 30 20 JKED CCOC(=O)C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1cccc(OC)c1 916680071 DHCLQUQDEWUIRT-DQEYMECFSA-N 457.530 5.167 30 20 JKED N#C[C@H](C(=O)CCc1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 916908524 MWSWTUQIGPSYEW-HXUWFJFHSA-N 450.441 5.360 30 20 JKED CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 916915478 KEBDOJXSNRLIQN-OAQYLSRUSA-N 485.531 6.062 30 20 JKED COc1ccc(-n2c(C)nnc2SCC(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 916977227 NJLAUZVVGGRJNU-LJQANCHMSA-N 496.017 5.330 30 20 JKED C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 917042839 HGBWJVQIZATMCU-SKDRFNHKSA-N 486.302 5.617 30 20 JKED CC(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2c(C(C)C)cccc2C(C)C)[n+]2cccc(C)c2)C=C1 917610807 CAZYPGBLOPKHIA-UHFFFAOYSA-O 488.677 6.623 30 20 JKED CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc2ccccc12 917652579 OTAXEJLHCBCHTC-XMMPIXPASA-N 489.597 5.039 30 20 JKED COc1ccccc1NC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2ccc(C#N)cc2)C1=O 917658504 IRBSFYWYYRBZRP-XMMPIXPASA-N 498.608 5.344 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3F)N(Cc3ccsc3)C2=O)c1 917663838 ZCYBYYQFIZGDID-FQEVSTJZSA-N 469.563 5.056 30 20 JKED Cc1nccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)SC2=Nc2ccc3ccccc3c2)n1 917701091 RHBIBWZIOMILRQ-XMMPIXPASA-N 499.571 5.238 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nc(NCc2ccco2)ncc1Cl 919893301 DIRRISSZZGXABC-UHFFFAOYSA-N 459.893 5.560 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Oc2c(Cl)cc(C#N)cc2OC)c(OC)c1 920016174 BBMCBLATUXLGRN-UHFFFAOYSA-N 490.943 5.924 30 20 JKED CCOC(=O)c1csc([C@H](C#N)C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)n1 920327583 WKZGAHCHVJBWAG-KONJPFMCSA-N 462.615 5.651 30 20 JKED Cc1cc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)SC2=Nc2cccc(C)c2C)no1 920353445 JQKWGEGAZQJVKZ-OAQYLSRUSA-N 484.528 5.039 30 20 JKED Cc1ccc(N(CCC#N)C(=O)COC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1C 920677474 HNOHMOFOBXSROR-UHFFFAOYSA-N 474.007 5.174 30 20 JKED N#C[C@@H](C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1nc(-c2ccc(Cl)cc2)cs1 920875120 PIZKGFKMFVCKKD-IBGZPJMESA-N 467.978 6.069 30 20 JKED COc1cccc(C2CC(=O)C(=CNc3ccc(O)c(-c4nc5ccccc5s4)c3)C(=O)C2)c1 920980152 ZIBGZOFRUGWVLI-UHFFFAOYSA-N 470.550 5.689 30 20 JKED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(-c4ccccc4)cn4ccccc34)C2)C1 1780067097 VMRFFWVAUJCZGI-PMERELPUSA-N 485.628 5.042 30 20 JKED C=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4sc(-c5ccccn5)nc4C)CCC3)cc2)C1 1785806605 DHXLCDVWEOUJTN-UHFFFAOYSA-N 458.587 5.227 30 20 JKED C=CCOCCCC(=O)Nc1ccc(C2(NC(=O)c3cc(OC)cc(C(F)(F)F)c3)CCC2)cc1 1786367171 CSWJVHVRTNXJTK-UHFFFAOYSA-N 490.522 5.445 30 20 JKED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)c3ccc(-c4ccccc4)nc3)CCC2)cc1 1786370863 FEWZYEQZTJGLOJ-HXUWFJFHSA-N 455.558 5.087 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H]3CC=C(C)CC3)CCC2)cc1 1786546266 NGWDUGLHSOBSGO-NFBKMPQASA-N 481.637 5.336 30 20 JKED CC#C[C@H](CC(=O)NC1(c2ccc(NC(=O)CCc3ccccn3)cc2)CCC1)c1ccc(O)cc1 1786963206 FRBQBZHNSVYIRT-HSZRJFAPSA-N 481.596 5.051 30 20 JKED CC(C)c1cc(C(=O)Nc2ccc(C3(NC(=O)CCc4cccc(C#N)c4)CCC3)cc2)no1 1787544416 IVBIUXNAJOJZIJ-UHFFFAOYSA-N 456.546 5.050 30 20 JKED CC(C)Oc1ccc(C(=O)NC2(c3ccc(NC(=O)c4n[nH]c5c4CCCC5)cc3)CCC2)cc1C#N 1788446812 XHDNCCNUFUVUQV-UHFFFAOYSA-N 497.599 5.009 30 20 JKED CCc1cc(C(=O)Nc2ccc(C3(NC(=O)/C=C/C(=O)c4cccs4)CCC3)cc2)cc(C)n1 1788834918 FQLOYUKKRYROAW-VAWYXSNFSA-N 473.598 5.201 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC2(c3ccc(NC(=O)c4ccc5cnccc5n4)cc3)CCC2)c1 1788963502 PAXDEAOMIGDFIP-LJQANCHMSA-N 475.552 5.318 30 20 JKED Cc1ccc2cc(C(=O)Nc3ccc(C4(NC(=O)COc5ccccc5C#N)CCC4)cc3)ccc2n1 1789035829 QWNSLKWGADIMOZ-UHFFFAOYSA-N 490.563 5.242 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)Nc1ccc(C2(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CCC2)cc1 1789448771 GRGJYMKOETWISE-QFIPXVFZSA-N 483.653 5.582 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncccc34)CCC2)cc1 1789508037 DKQFEMYDKJVECN-UHFFFAOYSA-N 472.665 5.362 30 20 JKED N#Cc1ccc(C(=O)NC2(c3ccc(NC(=O)c4ccc(-c5cccnc5)cc4)cc3)CCC2)cc1 1790591350 WKSXDRBDQRZEGA-UHFFFAOYSA-N 472.548 5.682 30 20 JKED N#Cc1ccc(F)c(C(=O)Nc2ccc(C3(NC(=O)Cc4cc5cccnc5cc4F)CCC3)cc2)c1 1790764775 KLCGIVCEKGIGME-UHFFFAOYSA-N 496.517 5.375 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)[C@H](NC(=O)OCc4ccccc4)C(C)C)cc3)CCC2)C1 1791132107 SMEUUJICNCLKKG-RUZDIDTESA-N 489.616 5.038 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)C3CCC4(CC3)OCCO4)cc2)CCC1 1791167957 DPPJPFDFFQSJPU-UHFFFAOYSA-N 496.724 5.105 30 20 JKED C=C(C(=O)Nc1ccc(C2(NC(=O)C3CCN(c4ccccc4)CC3)CCC2)cc1)C(F)(F)F 1791302757 XCOXUFUIQHKIOZ-UHFFFAOYSA-N 471.523 5.156 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)c3cccc4cc(Br)cnc34)CCC2)cc1 1791578623 IRNWWCALPXWBQI-CQSZACIVSA-N 484.419 5.063 30 20 JKED C[C@@H](S)C(=O)Nc1ccc(C2(NC(=O)Cc3cc(Br)ccc3Cl)CCC2)cc1 1791578774 BMUGSRLTHLNZQD-CYBMUJFWSA-N 481.843 5.097 30 20 JKED CC[C@H](C)[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](C)C#N)c1)C2)c1ccccc1 1795575403 ZSBDWLOQDJSAFE-AYXOOMHTSA-N 457.618 5.395 30 20 JKED N#Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)c(F)cc2F)cc(C(F)(F)F)c1 1800319192 YQAPGLLKWRPQDJ-MUJYYYPQSA-N 497.851 5.074 30 20 JKED C[C@@H](c1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCc2ccc(C#N)cc2)C3)cc1)C(F)(F)F 1801455098 OBBJFQOKFKSZQS-TZAMREQXSA-N 497.561 5.038 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc3c(C)snc3s2)[C@H]1c1cccnc1 1802504045 UZROBILLBCRMSF-RXVVDRJESA-N 482.675 5.373 30 20 JKED C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc([C@H](F)c3cccc(F)c3)c1)C2 1802631942 MUOAPJHRBQNMFO-SFIUMABJSA-N 464.556 5.330 30 20 JKED C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1 1803090071 FPQIVDFXKIFTIO-JTHBVZDNSA-N 487.522 5.068 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(F)cc(Cl)cc2Cl)C3)c1 1803684062 GOLKAMZGJWAPOW-CODKJTEISA-N 474.363 5.325 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2ccc3cc(C)ccc3n2)[C@H]1c1cccnc1 1809093989 GKYLUQMLOKLQMV-SHQCIBLASA-N 468.601 5.026 30 20 JKED O=C(c1ccc(C(F)(F)F)cc1F)N1CCC2(CCCN(C(=O)C3(C(F)(F)F)CCC3)C2)CC1 1809604666 JXFKGTCDKRPOST-UHFFFAOYSA-N 494.451 5.422 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@H]1c1cccnc1 1810175040 WBWIMFZJQHGNOA-RQTOMXEWSA-N 463.647 5.110 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1cccnc1 1810503204 OUYOKOVGZYMZDE-SIKLNZKXSA-N 491.529 5.552 30 20 JKED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1c1cccnc1 1811411780 ALWYCASQLVDPAS-CUNXSJBXSA-N 473.661 5.410 30 20 JKED Cc1cccc2cc(C(=O)N3CC[C@@H](CNC(=O)c4cccc(C#N)c4Cl)[C@H]3c3cccnc3)[nH]c12 1811420715 WFYUYRZXIAZVCP-HFZDXXHNSA-N 497.986 5.030 30 20 JKED Cc1c(C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)cc3)[C@@H]2c2cccnc2)[nH]c2c(Cl)cccc12 1811889675 FYRONYOGQFIEQO-RLWLMLJZSA-N 497.986 5.030 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2c2cccnc2)cc1 1811897827 XWVCFISLXJGYDK-FQLXRVMXSA-N 486.575 5.254 30 20 JKED Cc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(C#N)c2)[C@H]1c1cccnc1 1811997113 FQDWCHLQPRUVNL-RDPSFJRHSA-N 493.394 5.202 30 20 JKED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)[nH]n1 1814569076 GRBXCHNURMDEFE-QHCPKHFHSA-N 480.572 5.185 30 20 JKED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2CSc2ccccc2)[nH]n1 1816747774 RMYYLKQCHPZHDW-NRFANRHFSA-N 495.555 5.200 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H]2CNc3ccccc3C2)n[nH]1 1817374050 VJMZDCLCVXKJLD-HYBUGGRVSA-N 477.653 5.459 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3n[nH]c4cc(-c5ccccc5)ccc34)n[nH]2)C1 1817793303 YQKYLPXRNLTELU-DEOSSOPVSA-N 480.572 5.225 30 20 JKED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4c(Cl)cc(C)nc4c3)sc2C1 1818907448 LJGIZIHWXIXNGH-AWEZNQCLSA-N 490.963 5.090 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(-c3ccccc3)n3ccccc23)n[nH]1 1820079941 QIDORVPTPJLFJG-HSZRJFAPSA-N 453.546 5.211 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CCCC3)[nH]n2)c1 1820481450 IRHWHQRTBZHTAZ-DEOSSOPVSA-N 467.573 5.099 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(OC)c(OC)cc2C)n[nH]1 1821240125 XNCFMPJWWIXSLN-HXUWFJFHSA-N 468.598 5.034 30 20 JKED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ccc(C)cc3s2)n[nH]1 1821525439 WGWIXSDSRVTEPM-GOSISDBHSA-N 454.621 5.158 30 20 JKED C=CCC(F)(F)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)CC3)[nH]n1 1821986360 SYOSYTWFOAPDHT-IBGZPJMESA-N 472.536 5.031 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CC=C(C)CC2)[nH]n1)c1ccc(O)cc1 1822466757 APNJEBVVDGMDCC-WRALFONMSA-N 474.605 5.051 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc4ccccc4c3Br)CC2)C1 1823702245 XUBISUSUBQWLDQ-DEOSSOPVSA-N 495.461 5.802 30 20 JKED C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)c3n[nH]cc3c2)CC1 1823753462 PWIDYPKGAVGEPF-HSZRJFAPSA-N 450.627 5.097 30 20 JKED N#Cc1ccc(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1823812914 VUWMNHUUXHEMDD-DEOSSOPVSA-N 483.534 5.053 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 1824139306 JYXWVHUYLZHEGC-MHZLTWQESA-N 461.650 5.407 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=C/c2c[nH]c3cc(C)ccc23)CC1 1824501449 POQJGLOHQNPXRD-GMTSLGDESA-N 477.649 5.092 30 20 JKED CC(C)c1csc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)n1 1825385184 FQLDVMCAWUEPMO-CYFREDJKSA-N 478.662 5.441 30 20 JKED CC#CC[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2)CC1)c1ccccc1 1825483785 CXGKNMQOMVSSIC-RRPNLBNLSA-N 488.676 5.069 30 20 JKED CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1)c1ccccc1 1826311031 SNIHNVOAERCCLT-IZLXSDGUSA-N 471.645 5.304 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3c(Cl)cncc3s2)CC1 1827266081 HIHFQYRLIGTQIP-DENIHFKCSA-N 486.081 5.951 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)n2C)CC1 1827940028 SXCVGBVOZLIXEQ-IBGZPJMESA-N 467.576 5.270 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4sccc4[nH]3)CC2)c1 1828713205 FKBYMKRXEJJQDY-MHECFPHRSA-N 474.630 5.404 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 1828829196 FLVPHJVSADQACF-RPBOFIJWSA-N 460.622 5.078 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc3ccccn3c2C)CC1)c1ccccc1 1829031673 DFIKBPURQBQSDH-RRPNLBNLSA-N 496.655 5.073 30 20 JKED CC#CC[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(-c3ccco3)no2)CC1)c1ccccc1 1829032325 HOYAGHUAKMSUIL-AHWVRZQESA-N 499.611 5.365 30 20 JKED C=CCOCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2sc(Br)cc2C)CC1 1829784097 UKYTWDYSZVPUQL-LJQANCHMSA-N 497.499 5.035 30 20 JKED C=CCC(CC=C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1829837578 IABZQIRIVMEPMK-QHCPKHFHSA-N 499.652 5.628 30 20 JKED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3Oc3ccccc3)CC2)C1 1829903406 DSVXQONCGZGYHJ-SANMLTNESA-N 458.602 5.678 30 20 JKED CN(C)c1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCCC#C[Si](C)(C)C)CC2)cc1 1830032026 NHHQPJQTXIFHBT-AREMUKBSSA-N 481.757 5.037 30 20 JKED C=CCCC(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1830392033 ASFFUMGLCAENMR-PKTZIBPZSA-N 491.717 5.292 30 20 JKED O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCCC[C@@H]1C1CCN(C(=O)C23CC(F)(C2)C3)CC1 1830601575 CXAXSRLSIBWAAL-MRAVXTPNSA-N 484.615 5.212 30 20 JKED O=C(c1nccs1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1830601580 DJMSGQJULILKTM-SANMLTNESA-N 483.637 5.090 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2c(F)ccc([N+](=O)[O-])c2C)CC1 1830734017 TXXIRAKHHYCDIS-REWPJTCUSA-N 471.573 5.044 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1831377781 LOIJWUDQMSWCMR-XWGVYQGASA-N 491.717 5.100 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cn(-c3ccccc3)c3ncccc23)CC1 1831849496 YEYVPGPZMNPEEB-HHHXNRCGSA-N 482.628 5.062 30 20 JKED C#CCCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 1831850952 UYHPAKRKWFHONZ-MDRMPYQZSA-N 460.540 5.142 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2cccc(C)c2)CC1 1831856780 JTLILCUGVCJGHH-LOSJGSFVSA-N 497.680 5.147 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(-c3ccccc3)nc3ncccc23)CC1 1831858545 WLQNQWHFFYUYLJ-AREMUKBSSA-N 468.601 5.106 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1831858883 QDMUXQUINIYMKP-HSZRJFAPSA-N 469.423 5.412 30 20 JKED C#CCCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 1832029784 PBWXPHIPBKQBNM-SFHVURJKSA-N 455.451 5.482 30 20 JKED C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1 1832168264 JEJNWUKPXMDDRT-AVRDEDQJSA-N 497.064 5.021 30 20 JKED COc1cc(F)ccc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc([C@H](C)C#N)c2)CC1 1832533828 DEKZCFHSVRMLPN-CLOONOSVSA-N 477.580 5.008 30 20 JKED COc1ccc(F)c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc([C@H](C)C#N)c3)CC2)c1 1832595731 YPUFEJFKHRQCBM-BCHFMIIMSA-N 477.580 5.008 30 20 JKED C=CCSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)CC1 1832721125 LRQTXYOXRDIYDE-FQEVSTJZSA-N 499.902 5.255 30 20 JKED Cc1cc(F)ccc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)cc2Cl)CC1 1832726730 LYFKLNMUUOGTMD-XMMPIXPASA-N 467.972 5.206 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc4occ(Cl)c4c3)CC2)CC1 1836133435 VLKFZSUQIILWHB-QFIPXVFZSA-N 484.040 5.040 30 20 JKED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccncc2-c2cccc(C)c2)C1)c1ccccc1 1843171293 UCIDHQGLLZDJNN-SANMLTNESA-N 477.608 5.071 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(C(F)(F)F)c(F)c3Cl)C2)c1 1844697746 YXLDEYNAFBNRFI-AWEZNQCLSA-N 493.888 5.256 30 20 JKED N#Cc1ccc(Cl)cc1NC(=O)COc1c(I)cc(Cl)c2cccnc12 10093376 MWTGRAJQSAVFIR-UHFFFAOYSA-N 498.107 5.035 30 20 JKED CCc1ccc(N/C(S)=C(/C(=O)c2ccc(F)c(F)c2)[n+]2ccc3c(c2)CCCC3)cc1 10173485 MOSKGSZUFFURIF-UHFFFAOYSA-O 451.562 5.744 30 20 JKED CCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)Nc2ccc(OC(F)(F)F)cc2)cc1 10174146 ITLBDVXJERGVFR-UHFFFAOYSA-O 476.544 5.441 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccc3c(c2)CCCC3)c(C)s1 10831440 IASKVCAXSFFFKW-UHFFFAOYSA-O 456.056 6.236 30 20 JKED CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(C)c(F)c2)cc1 11083040 OKHPOTMTQDLPTQ-UHFFFAOYSA-O 471.568 6.654 30 20 JKED CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(SC(F)F)cc2)cc1 11114113 CSOVLYNTLZASHK-UHFFFAOYSA-O 498.644 5.894 30 20 JKED CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cc4ccccc4oc3=O)c2C#N)C1 11341346 KMKUDPAFDPWPIQ-INIZCTEOSA-N 478.570 5.063 30 20 JKED Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)o2)cc1C 20067105 NFHKVTQLJASLJV-UHFFFAOYSA-N 461.547 5.016 30 20 JKED Cc1ccccc1-n1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccc(Cl)cc1 22674732 FWUBXDBQWVBOSI-UHFFFAOYSA-N 498.999 5.422 30 20 JKED CCc1cccc[n+]1/C(C(=O)c1ccc(C)s1)=C(/S)Nc1ccc(Oc2ccccc2)cc1 22730170 LXPFYJXASZISJT-UHFFFAOYSA-O 473.643 6.750 30 20 JKED Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Br)c2)[n+]2cccc(O)c2)cc1C 22732528 QVQSISZDJBBPOO-UHFFFAOYSA-O 456.385 5.110 30 20 JKED C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 23518762 XCZGGJAVZCSMJP-MOPGFXCFSA-N 494.636 5.419 30 20 JKED Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3n2C(F)F)n(Cc2ccccc2)c1C 25983697 IORWSFFVNBWRQJ-UHFFFAOYSA-N 465.529 5.501 30 20 JKED CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)=C(/S)Nc2c(C)cccc2C)cc1 28695837 NVLCHEKNNDNODX-UHFFFAOYSA-O 492.665 5.716 30 20 JKED CCC[C@@H]1CCc2nc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)sc2C1 60309266 XABGVNZBHRBCRN-OAHLLOKOSA-N 465.579 5.023 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccccc1F 218657457 DYKLFRMIHKGXFI-MSOLQXFVSA-N 460.578 5.781 30 20 JKED C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 255930403 HLBYLTXNNQUTOI-SFHVURJKSA-N 485.053 6.248 30 20 JKED CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1cccc(NC(=O)c2cc(F)c(F)c(F)c2F)c1 302928616 FKWLLAVHWAQOLO-UHFFFAOYSA-N 488.334 5.718 30 20 JKED C=CCn1c(SCC(=O)Nc2ccc(OCC(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1 477409916 BYMJUIGBMDSQAB-UHFFFAOYSA-N 482.915 5.456 30 20 JKED Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12 481852478 KRAWPFXNKLMIAF-UHFFFAOYSA-N 471.464 5.070 30 20 JKED COc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc(OC)c1OCc1ccccc1 487317632 BVTFFHTZTARWCH-UHFFFAOYSA-N 485.565 5.454 30 20 JKED CCN(C(=O)Cc1ccc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1)c1ccccc1 489286643 DORUOGKIUXZYBM-MHZLTWQESA-N 455.558 5.196 30 20 JKED CCCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H](C)c1ccc(Cl)c(Cl)c1 498378120 PAUWXONISUMHJO-INIZCTEOSA-N 467.418 5.684 30 20 JKED N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3Nc3ccc(OC(F)F)cc3)CC2)c1 502275058 YZODWAGSJSBFNO-UHFFFAOYSA-N 490.510 5.394 30 20 JKED Cc1cnc(O)n1-c1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 502294626 MCVKAJDMQNZVBA-IBGZPJMESA-N 468.582 5.541 30 20 JKED Cc1ccc(-n2ncc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2C2CC2)cc1Cl 504751289 SQHOQSAAPLHIIF-UHFFFAOYSA-N 460.965 5.267 30 20 JKED CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 508243861 SYSQASVOXNXXAJ-UHFFFAOYSA-N 479.540 5.562 30 20 JKED CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)C[C@@H](C)C2 509229538 BMFJPVOIJZAPGT-FBKQIBBUSA-N 455.558 5.361 30 20 JKED Cc1ccc(CSCCNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 510234772 DODMJRXGJSCOLD-UHFFFAOYSA-N 455.634 5.065 30 20 JKED N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1 511436791 GQPQIVHYGLFTDH-HHHXNRCGSA-N 489.019 5.944 30 20 JKED CCCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c1 512322238 XFINGFYDNRKAKA-SFTDATJTSA-N 496.567 5.046 30 20 JKED C=CCN(C(=O)CCCc1ccc(Cl)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 514568159 PJAKHIGJBXEECS-UHFFFAOYSA-N 475.035 5.409 30 20 JKED COc1ccc(-c2csc([C@@H](C#N)C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)n2)cc1 516270106 MYJPDUOGSKDKDT-QHCPKHFHSA-N 492.560 5.067 30 20 JKED COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[C@@H](C#N)c2nc3ccccc3s2)c(OC)c1 516558901 VPHIWSXYFQBPII-HXUWFJFHSA-N 480.549 5.656 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c12 517491917 GASRNIGOBUEAPJ-IBGZPJMESA-N 450.329 5.245 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)c2)cc1 517844026 FYNRKDDZMLAESV-SXOMAYOGSA-N 467.569 5.113 30 20 JKED COc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 518151698 QKRIRWLRBPTBRF-HHHXNRCGSA-N 477.520 5.203 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C(C)C)cc1 518249024 UEZWAEBHLDWTAK-XLNZFTOWSA-N 451.636 6.046 30 20 JKED C[C@@H]1CN([C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)c2c(F)cccc2Cl)CCO1 518256444 WIYXRSKVTXTMQB-LZJOCLMNSA-N 491.032 5.457 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 519451180 SLDGTSSFZLWXHV-OAHLLOKOSA-N 479.469 5.112 30 20 JKED N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 519839903 MYWNSWJPBDJRRJ-UHFFFAOYSA-N 475.013 6.239 30 20 JKED Cc1nc(-c2ccc(CNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cc2)cs1 520712206 AVIZPAXIVNCHPS-UHFFFAOYSA-N 455.587 5.443 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 521329938 VXASLCMXFFOHQV-INIZCTEOSA-N 471.629 5.124 30 20 JKED CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 524114502 BVSQHPTXQFIZTH-UHFFFAOYSA-N 498.004 5.072 30 20 JKED COc1ccccc1-c1nc2sc3c(c2c(-c2ccc(C)cc2)c1C#N)CCN(C(C)=O)C3 543444018 BQUQLKLSCHFSTR-UHFFFAOYSA-N 453.567 5.724 30 20 JKED Cc1c(C#N)c(NC(=O)CCN2CCc3sccc3[C@H]2c2cccs2)n(Cc2ccco2)c1C 590932002 ONPCAQKPAXNYHT-VWLOTQADSA-N 490.654 5.717 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](CCC)c2ccccn2)c1 591228979 NAUHUCJEDMOFJT-HSZRJFAPSA-N 484.021 5.388 30 20 JKED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)n1 594669652 WUBROFJNEHPVFO-UHFFFAOYSA-N 466.485 5.198 30 20 JKED C=CCN(C(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603947454 FYLNIBZPIZSZAC-HNNXBMFYSA-N 482.587 5.377 30 20 JKED C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 603961638 QFJPXRUJCFAVFV-KDURUIRLSA-N 457.530 5.101 30 20 JKED N#CCCCOc1cccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c1 603972313 LKTZEIAHYGDSMU-UHFFFAOYSA-N 452.308 5.571 30 20 JKED N#Cc1c(NC(=O)c2ccccc2I)sc2c1-c1ccccc1CC2 603990891 CDIQSPUKNMFFPG-UHFFFAOYSA-N 456.308 5.242 30 20 JKED COc1ccc(-c2cnc(CCC(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)o2)cc1 604497300 GNQHWDDXOZOZOW-HSZRJFAPSA-N 471.944 6.230 30 20 JKED CC[C@H](C)n1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnc1-c1ccccc1 604548118 YBKDUUQQCIXWRW-CVEARBPZSA-N 465.648 5.705 30 20 JKED N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 608813477 XLFRCJAOBRCYLD-UHFFFAOYSA-N 486.915 6.280 30 20 JKED CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)C(C)C 609062126 YYWMYNSKHOUYGU-MHZLTWQESA-N 485.584 5.238 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3cnc4ccccc4c3C(F)(F)F)cc2Cl)c1 609062628 DQRFTPQWQLSARK-UHFFFAOYSA-N 481.861 6.610 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 609079219 PJBCXJVKIGBKCH-QZTJIDSGSA-N 485.428 6.040 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3cc4ccccc4n3Cc3ccccc3F)CC2)c1 609185323 ZAGSQPZZKXWCRP-UHFFFAOYSA-N 453.517 5.384 30 20 JKED N#Cc1cccc(OC2CCN(C(=O)c3ccc(COc4ccc5ccccc5c4)o3)CC2)c1 609185515 XBKBOVFKMSCFPD-UHFFFAOYSA-N 452.510 5.567 30 20 JKED C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)NC1CCN(CC#N)CC1 609340356 QPUVJYIBBRYUAE-UTKZUKDTSA-N 461.997 5.027 30 20 JKED CC(C)c1nnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n1Cc1ccco1 609370705 PZFVAGJIBKAXKQ-MRXNPFEDSA-N 455.609 5.025 30 20 JKED C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 609377864 HUSCCCDSQNOIJA-INIZCTEOSA-N 486.435 5.192 30 20 JKED CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c2cccs2)cc1 609400596 LNIXEYXBMIUSSK-MHPIHPPYSA-N 491.682 6.358 30 20 JKED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 609439817 ZLDUVTHDDFDPFS-OAHLLOKOSA-N 463.525 5.132 30 20 JKED CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 613045696 WWGXKBFMEHCPAR-UHFFFAOYSA-N 452.370 5.786 30 20 JKED C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccncc1 613364558 LBQHQJCNPHSZPG-SFHVURJKSA-N 457.559 5.438 30 20 JKED CC(C)(C#N)c1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3C(=O)c3ccccc3)C2=O)cc1 614568345 UBZCYMWCVWSHNP-QFIPXVFZSA-N 471.944 5.116 30 20 JKED CS(=O)(=O)Nc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 622284244 VICCCVMQOGDZJB-UHFFFAOYSA-N 494.335 5.367 30 20 JKED O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 623048558 WUBFFARYNGXXHR-UHFFFAOYSA-N 475.349 5.306 30 20 JKED N#Cc1cnc2ccccc2c1OCCOC(=O)Cc1csc(-c2cccc(Br)c2)n1 726365787 FHMMQJOBQWXBMI-UHFFFAOYSA-N 494.370 5.157 30 20 JKED COc1ccc(OC)c(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cccs2)c1 726396188 QBHOUHJQMLDQRA-OAQYLSRUSA-N 499.589 5.065 30 20 JKED C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1ncc(-c2ccccc2Br)o1 726755586 CRMNNXQPQQDEFN-UHFFFAOYSA-N 475.346 5.172 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](OC2CCCC2)c2ccccc2)n(C2CCCC2)c1C 727016896 MIKGQDASQFPSTK-VWLOTQADSA-N 463.578 5.274 30 20 JKED Cc1ccc(/C=C/S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 727250285 HTGSOPGHZHMRRL-CMDGGOBGSA-N 463.506 5.345 30 20 JKED CCn1nc(C)c(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccc(C)cc2)c1C 727252938 UOXKYHXZXDCWBH-XMMPIXPASA-N 489.645 5.297 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)cc1 727306011 ZUDLZQIQVYRDEV-WHENYANWSA-N 463.581 5.754 30 20 JKED C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 728181359 CYYZNSDPYDBBHT-UHFFFAOYSA-N 499.057 5.017 30 20 JKED CN(C)c1ccc([C@H](CNC(=O)CSc2ccc(C#N)cc2)c2c[nH]c3ccccc23)cc1 728458287 IGOASKIZDKJKLC-DEOSSOPVSA-N 454.599 5.146 30 20 JKED CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(CCCCC#N)C2=O)cc1 728778058 PVOWCGMKVPDXIS-HSZRJFAPSA-N 478.618 5.356 30 20 JKED C[C@H](CC#N)N(C)Cn1nc(CSc2nc3ccccc3s2)n(Cc2ccccc2)c1=S 728902160 JBWJQKXGKHIODI-QGZVFWFLSA-N 480.688 5.556 30 20 JKED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 729070020 OWVSXZPLRCXHGA-AWEZNQCLSA-N 486.359 5.057 30 20 JKED Cc1ncsc1CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C#N)c(Cl)c1 729146766 XQVCKSYJWDKVBI-LJQANCHMSA-N 496.017 5.137 30 20 JKED C[C@H](OC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 729780581 JNBMWEQIXFEWTO-AWEZNQCLSA-N 483.977 5.310 30 20 JKED COc1cccc([C@@H](C#N)NC(=O)c2sc3cc(Br)ccc3c2Cl)c1OC 729845876 WEUCHUQIJZZCBL-CYBMUJFWSA-N 465.756 5.329 30 20 JKED N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc2cc(C(F)(F)F)ccc2s1 729891107 BTWKDUSUNQJZEA-MRXNPFEDSA-N 474.464 5.704 30 20 JKED COc1cc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 731073568 FOXZFZIJOFOLMS-MRXNPFEDSA-N 466.584 5.613 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCCC1 731076074 USUAJGZGZKIWCP-SFHVURJKSA-N 454.567 5.604 30 20 JKED C[C@@H](c1cccnc1)N1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1Cl 731305274 BJEULKJIFSLMHH-YCRPNKLZSA-N 480.977 5.162 30 20 JKED Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2[C@@H](C)Cc2ccco2)c1 731306431 BHNJKRATWZGDCT-FDDCHVKYSA-N 477.586 5.194 30 20 JKED COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCOC(C)(C)C)cc1 746698303 ZMZKIABOAGEXPK-QFIPXVFZSA-N 483.634 5.087 30 20 JKED COc1ccc(C=NN(C(=S)NCc2ccc(F)cc2)C(C)(C)C)cc1OCCCC#N 747356644 FHBHRRMSEGXFEP-UHFFFAOYSA-N 456.587 5.026 30 20 JKED CC(C)c1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2cscn2)c1 747603650 SWHXJZRZMWPXRO-NRFANRHFSA-N 482.606 5.566 30 20 JKED N#CCCN(C(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F)c1cccc(Cl)c1 748031757 OGVBOGAKXSVTPI-UHFFFAOYSA-N 478.927 5.805 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=S)Nc1cccc(Br)c1 749101225 BKXPZKRZWPAVPT-UHFFFAOYSA-N 458.194 5.736 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)Cn1nc(-c2cccnc2)n(CC=C)c1=S 749245525 CIDXOOPGVMBMTA-UHFFFAOYSA-N 474.403 5.209 30 20 JKED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2c[nH]c3cc(C)ccc23)C1=O 749416011 RHWHAUWEUFEEHI-FQEVSTJZSA-N 489.428 5.093 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 762957905 ZBECVRQNQIYTSW-UHFFFAOYSA-N 461.587 5.076 30 20 JKED C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nc2ccccc2c1=O 793776809 LLLVOQIXRRZFHB-UHFFFAOYSA-N 492.025 6.158 30 20 JKED Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 821771516 BUZGYIRDJJTOGW-UHFFFAOYSA-N 498.996 5.300 30 20 JKED C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 857289149 VZOZGTAURCCLHC-ZCFIWIBFSA-N 467.341 5.463 30 20 JKED Cc1ccc(-c2nnc(-c3ccc(C(=O)O[C@H](C)C(=O)Nc4sc5c(c4C#N)CCC5)cc3)o2)cc1 857835665 RMBQHQAJAUCJPU-MRXNPFEDSA-N 498.564 5.318 30 20 JKED N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3c(Cl)cccc3Cl)no2)CC1 904309773 HSEQXXPZRINJFB-UHFFFAOYSA-N 456.289 5.547 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 915085952 DCZUUEYAGYRGPF-AREMUKBSSA-N 456.549 5.921 30 20 JKED CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(CN(CCC#N)Cc2cccnc2)c1=S 915795950 OEQGFCRUQRGYKH-UHFFFAOYSA-N 483.645 5.358 30 20 JKED COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1C 916207997 QQXDUGMGNHNVOF-HXUWFJFHSA-N 493.551 5.319 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(Cc3ccccn3)C2=O)cc1 916210958 KNXYHOXQHNANQO-HSZRJFAPSA-N 458.587 5.167 30 20 JKED CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C(C)c2cc(C)ccc2OC(F)F)nc1 916354755 OLPWTMAWPSRWRZ-UHFFFAOYSA-N 474.533 5.043 30 20 JKED CCOc1cc(C=Nn2cnc3ccccc3c2=O)cc(Br)c1OCc1ccccc1 916368893 SYOZYRAKPVQJTH-UHFFFAOYSA-N 478.346 5.019 30 20 JKED Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)cc1 916708288 RTOHTGVIMAMCMJ-NDEPHWFRSA-N 474.564 6.225 30 20 JKED CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 916902399 FRTFALUAEFCVLD-JOCHJYFZSA-N 465.557 5.030 30 20 JKED N#C[C@@H](C(=O)Cn1c(SC(F)F)nc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 916927785 NTBSTFVJXOSJGC-NSHDSACASA-N 469.300 5.005 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c12 916945805 ZKZMQRTUVUUOPE-LJQANCHMSA-N 478.339 5.212 30 20 JKED CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 916955174 MYGPHLNFLPXJMQ-KSFYIVLOSA-N 463.628 6.219 30 20 JKED N#C[C@@H](C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 916977691 WTJIVYGEKBMQCL-XZOQPEGZSA-N 485.996 5.681 30 20 JKED C=CCn1c(-c2ccccc2F)nn(CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1=S 917450092 IIUOYPNQZGTDNJ-UHFFFAOYSA-N 481.475 5.336 30 20 JKED Cc1ccc(Cn2cc(C=Nn3c(C)nc4sccc4c3=O)c(-c3ccc(C)cc3)n2)cc1 917580866 VOBSECWAXBSLJO-UHFFFAOYSA-N 453.571 5.177 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(Cc3ccnc(C)n3)C2=O)c1 917681607 QAKLOHICUSUCDU-JOCHJYFZSA-N 494.020 5.216 30 20 JKED Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cccs2)C1=O 917704917 ZWFWJHVFOOEOBQ-OAQYLSRUSA-N 495.029 5.742 30 20 JKED CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 918486348 AMAQQOBQVXNDJA-JOCHJYFZSA-N 490.357 5.225 30 20 JKED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C 918614969 NZHBYOHGQUTYBS-UHFFFAOYSA-N 479.503 5.351 30 20 JKED Cc1sc2ncnc(SCCC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2c1C 919712079 FHAJYHBIPQYOIC-NRFANRHFSA-N 458.612 6.085 30 20 JKED Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)[C@H](C#N)C(=O)c1c(C)[nH]c2ccccc12 920101565 DYPPIEAFVWGDDJ-GOSISDBHSA-N 463.946 5.679 30 20 JKED Cc1sc2ncnc(SCCC(=O)[C@H](C#N)c3nc4cc(C(F)(F)F)ccc4s3)c2c1C 920112897 MFKILAQZRJNQLF-ZDUSSCGKSA-N 492.573 6.295 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C(C)C)cc3)N(Cc3cc(C)on3)C2=O)cc1 920354051 YLNCBMBANBVSPV-QHCPKHFHSA-N 476.602 5.575 30 20 JKED Cc1nc(SCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c2c(C)c(C)sc2n1 920806888 RXTDGSNDTNOILD-ZDUSSCGKSA-N 486.594 5.987 30 20 JKED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](c1ccccc1)[C@@H](C)CC)C2 1779267441 VCRQOHCVRUAMCS-GPZUMTPVSA-N 466.666 5.099 30 20 JKED COc1ccc2oc(C(=O)NC3(c4ccc(NC(=O)Cc5ccc(C#N)cc5)cc4)CCC3)cc2c1 1785881480 AZLTZAURDJUIJF-UHFFFAOYSA-N 479.536 5.303 30 20 JKED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)CCC1 1786056422 SXRTUOXTCRHZLD-VABKMULXSA-N 481.637 5.026 30 20 JKED N#CCC(=O)NC1(c2ccc(NC(=O)c3cccnc3-c3ccc4ccccc4c3)cc2)CCC1 1788380302 DDMDRKORBPSQPA-UHFFFAOYSA-N 460.537 5.563 30 20 JKED CC(C)=NO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)cc2)CCC1 1789193382 VPNHXLAQSJHQKF-FAYOUJPWSA-N 453.627 5.528 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3c[nH]c4cnccc34)cc2)CCC1 1789390821 JASWHWVIBLLGNW-UHFFFAOYSA-N 472.665 5.362 30 20 JKED CC(C)[C@@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc4occ(-c5cccnc5)c4[nH]3)cc2)CCC1 1789991331 JVLGFCJFRKADDH-XMMPIXPASA-N 488.613 5.525 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)c3c(F)cc(Cl)cc3Cl)CCC2)cc1 1790566772 DJADLKVFLGDIGI-AWEZNQCLSA-N 480.367 5.681 30 20 JKED N#Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5ncncc5c4)CCC3)cc2)c(Cl)c1 1790767686 FFZWRRCCQHINRL-UHFFFAOYSA-N 481.943 5.216 30 20 JKED C#CCCCC(=O)Nc1ccc(C2(NC(=O)c3ccc4c(c3)[C@H](C3CCOCC3)CN4)CCC2)cc1 1791583162 RXEOTETZRCRDDG-SANMLTNESA-N 485.628 5.174 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)c3cn4cc(C(F)(F)F)cc(Cl)c4n3)CCC2)cc1 1791588947 NCEMQODJHDBASG-UHFFFAOYSA-N 476.886 5.330 30 20 JKED CC#C[C@@H](CC(=O)Nc1ccc(C2(NC(=O)c3ccc(C)nc3OC)CCC2)cc1)c1ccc(O)cc1 1791642469 KSKGSANYUFBEEA-QFIPXVFZSA-N 497.595 5.049 30 20 JKED CC#C[C@H](CC(=O)Nc1ccc(C2(NC(=O)CCc3cc(F)ccn3)CCC2)cc1)c1ccc(O)cc1 1791646171 ADOBQULUUPERPH-JOCHJYFZSA-N 499.586 5.190 30 20 JKED C#CCCCCC(=O)Nc1ccc(C2(NC(=O)Cc3cc(Br)ccc3O)CCC2)cc1 1791730327 AMULKVMRICEFHB-UHFFFAOYSA-N 483.406 5.025 30 20 JKED COc1cc(C#N)cc(C(=O)NC2(c3ccc(NC(=O)c4c(Cl)cccc4OC)cc3)CCC2)c1 1792146749 NICICWQYHWHXGB-UHFFFAOYSA-N 489.959 5.290 30 20 JKED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCCCCCCCCCc4ccccc4)[C@H]3C2)CC1 1792205571 QCORIJGZPQADKE-QKDODKLFSA-N 493.692 5.023 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@](C)(OC)c1cccc2ccccc12 1792524550 TTWFTYNICVLEAV-QZCCEIIBSA-N 460.618 5.108 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2-c2cccc(F)c2)c1 1796498911 JFFOZTQRERMBDF-TZAMREQXSA-N 482.559 5.080 30 20 JKED CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C)CC1)C2 1800175449 FRQZSHOCZSKJST-LRSLUSHPSA-N 477.690 5.069 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3cc(C)[nH]c23)[C@H]1c1cccnc1 1802496519 JDTOHAKCSGQWHE-RDGATRHJSA-N 458.606 5.183 30 20 JKED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)c2ccccc2CSc2ccccc2)[C@H]1c1cccnc1 1803455748 GXIDSDJSRDWMQL-GIGWZHCTSA-N 495.648 5.107 30 20 JKED CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccnc1)c1ccccc1 1806274388 JXIMYQAJSNMHHL-FXSPECFOSA-N 487.003 5.120 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cc3c(Cl)cccc3s2)[C@H]1c1cccnc1 1809442669 BHCJBYAYVLTCBR-PRCFCKQXSA-N 468.022 5.482 30 20 JKED Cc1cc(C)cc(C(=O)N2CC[C@@H](CNC(=O)CCCC#C[Si](C)(C)C)[C@@H]2c2cccnc2)c1 1810272875 SZPMAGPLLVBMQL-IGKIAQTJSA-N 475.709 5.069 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccc3occ(Cl)c3c2)[C@@H]1c1cccnc1 1811434111 AXNPDYKSVIXSOT-RDPSFJRHSA-N 480.008 5.793 30 20 JKED C[C@H](CC(=O)NC[C@@H]1CCN(C(=O)CCCC#C[Si](C)(C)C)[C@H]1c1cccnc1)c1ccccc1 1812732284 GIPJLGDMJKDQST-IXLXJOPFSA-N 489.736 5.332 30 20 JKED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C)cc2)[C@@H]1c1cccnc1 1813226949 WPXMHNWBCSHTFJ-FREGXXQWSA-N 479.624 5.570 30 20 JKED Cc1cc(Cl)c2ccc(C(=O)N3CCCC[C@H]3c3cc(NC(=O)[C@H](S)C(C)C)n[nH]3)cc2n1 1815244354 XHRXCNGQOYTPBI-RBBKRZOGSA-N 486.041 5.180 30 20 JKED O=C(CCCC(F)(F)F)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)[nH]n1 1815571952 CPOQIJSEGQXQDF-MRXNPFEDSA-N 494.411 5.606 30 20 JKED COc1cc(C#N)cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(C(C)(C)C)oc3C)n[nH]2)c1 1816462609 ARDAHFDQVZOQHH-QFIPXVFZSA-N 489.576 5.109 30 20 JKED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)sc2C1 1816933739 STHPRVHWGLIKIZ-LBPRGKRZSA-N 478.952 5.023 30 20 JKED CCn1c2ccccc2c2cc(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)CCC#N)n[nH]3)ccc21 1817122420 QVSXKSKNERTLRB-XMMPIXPASA-N 468.561 5.147 30 20 JKED N#Cc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4ccoc4s3)n[nH]2)cc1 1817823674 UMRHEQGJUTTXES-FQEVSTJZSA-N 473.558 5.028 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn(C(C)C)cc2C(F)(F)F)n[nH]1)C(F)(F)F 1818214734 SCEAKSVFNRMYFS-MRXNPFEDSA-N 491.436 5.235 30 20 JKED N#Cc1ccc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)/C=C/c4cc5ccccc5o4)sc3C2)cc1 1818631746 WPQKSLWGRWXNIB-QGFLDLQWSA-N 496.592 5.019 30 20 JKED Cc1ccc(SCC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)[nH]n2)cc1 1818800312 HTFXKINJKYSXCK-NTKDMRAZSA-N 487.629 5.443 30 20 JKED C[C@@H](Sc1cccs1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCc2cccc(C#N)c2)[nH]n1 1819254119 MAIHQORMTFZMID-DYESRHJHSA-N 493.658 5.149 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)[nH]n1 1819385082 JAXRVSFGSXQLPW-DEOSSOPVSA-N 487.680 5.315 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc3cnccc23)[nH]n1 1819385466 VHMLFKXZGBCWPF-DEOSSOPVSA-N 487.680 5.315 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(Cl)cc(Cl)n3)n[nH]2)c1 1819969455 IDKTUSPMBLRSFH-VBKZILBWSA-N 497.386 5.358 30 20 JKED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc4cc(F)c(F)cc4nc3Cl)n[nH]2)C1 1820160070 WWSSHMKUGULUBC-FQEVSTJZSA-N 485.922 5.162 30 20 JKED N#Cc1cccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc4c3oc3ccccc34)[nH]n2)c1 1820486112 VBYFVBNVIVADNC-DEOSSOPVSA-N 489.535 5.800 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cc2cc3cccnc3cc2F)n[nH]1 1820839016 KAORMPCTJLOGSZ-RDPSFJRHSA-N 475.568 5.100 30 20 JKED CC(C)=NO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(c3ccc(C)cc3)CCCCC2)[nH]n1 1820976323 ILHNXINYYRKJLJ-URXFXBBRSA-N 493.652 5.413 30 20 JKED N#Cc1cccc(CCC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(Cl)c(F)cc3F)n[nH]2)c1 1821028820 MNCFJLSCAKNAHQ-QFIPXVFZSA-N 497.933 5.152 30 20 JKED N#Cc1cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccccc3F)[nH]n2)cc(C(F)(F)F)c1 1821310242 PRVAJDJKPOSCSO-HXUWFJFHSA-N 485.441 5.059 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc(CCCCC)s2)n[nH]1 1821694492 PZYLQGRWRLQCIO-ICSRJNTNSA-N 469.655 5.673 30 20 JKED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n[nH]1 1821858586 VWBJYYVLUMURAC-IBGZPJMESA-N 481.449 5.261 30 20 JKED C=CC[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2c3ccccc3n3ccsc23)[nH]n1 1821922804 PURWFWBPEXVLRS-JXFKEZNVSA-N 461.591 5.395 30 20 JKED CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(C#N)cc3Cl)[nH]n2)CCCCC1 1822333174 MNBMJIOGWBJIOJ-FQEVSTJZSA-N 453.974 5.211 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@](C)(OC)c3cccc4ccccc34)CC2)C1 1823698688 OMLRSBIEFWOSJG-OFSOJUDTSA-N 474.645 5.287 30 20 JKED C=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc4ccc(Br)cc4n3)CC2)C1 1823700200 ISCXAMDOTWTCGZ-XMMPIXPASA-N 496.449 5.197 30 20 JKED CC(C)=NO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4c3oc3ccccc34)sc2C1 1824421846 JQNHISGPCGJDLP-HZPDHXFCSA-N 490.585 5.069 30 20 JKED C[C@H](C#N)c1cccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc4ccoc4s3)CC2)c1 1827411264 BRZHPUMFUXMLHI-WZONZLPQSA-N 475.614 5.668 30 20 JKED N#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(-c4ccccc4)n3)CC2)cc1 1827762256 KISNWSWXBLCRQT-NDEPHWFRSA-N 478.596 5.167 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 1828820769 FIUAVLIQYPFAQG-DQEYMECFSA-N 452.614 5.245 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nn(CC)c3ccccc23)CC1 1828825237 UYQMZKKNHOZDBO-UPVQGACJSA-N 462.638 5.058 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 1828825683 XJRKUGMWFSETFT-RDPSFJRHSA-N 461.021 5.410 30 20 JKED C=CC[C@@H](C(=C)C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 1828827508 XCBUYPDRNRTITL-ZEQRLZLVSA-N 477.674 5.812 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2c(C(F)(F)F)coc2C)CC1 1828828735 ROFVPUGNVQAHBP-TZIWHRDSSA-N 466.544 5.609 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1828830086 KOQUAQINAKQYDH-SHQCIBLASA-N 499.655 6.430 30 20 JKED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 1828882249 LHTVHJCVHVBFBN-AFQFEXIYSA-N 468.682 5.009 30 20 JKED CC#CC[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnnc3ccccc23)CC1)c1ccccc1 1829031726 DNCPQGDFIXRNLO-IRPSRAIASA-N 494.639 5.060 30 20 JKED N#CCc1ccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1829938790 DAJJRVWADWYVBW-DEOSSOPVSA-N 483.534 5.319 30 20 JKED COc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(C#N)c3)CC2)cc(C(F)(F)F)c1 1829956520 JYFDSKZUENOGDZ-XMMPIXPASA-N 499.533 5.133 30 20 JKED N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)/C=C/C3CCCC3)CC2)ccc1Br 1830350372 NCUPCLISUYXXKB-DDVUFSRBSA-N 498.465 5.300 30 20 JKED Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc(F)c(C#N)c2)CC1 1830363099 QNFCSQUHFYNBIU-VWLOTQADSA-N 493.623 5.372 30 20 JKED O=C(CCCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1830531878 LHIUJTPSTBRRGY-IBGZPJMESA-N 496.467 5.810 30 20 JKED O=C(CCC(F)(F)F)N1CCC([C@@H]2CCCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1830532759 RXDOPVCSCWVCIK-SFHVURJKSA-N 482.440 5.420 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(-c4ccccc4)nc3)CC2)c1 1830718851 RHOGJFGXUJMXSR-MUUNZHRXSA-N 496.586 5.306 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC[C@H]3CNc4ccccc4C3)CC2)c1 1830768483 XJBQBXNRFDFUQO-BTYSJIOQSA-N 498.671 5.165 30 20 JKED Cc1cc(C#N)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(Cl)cc(Cl)n3)CC2)c1 1830771245 WEWNDXANIPZKDX-QFIPXVFZSA-N 485.415 5.116 30 20 JKED N#Cc1ccc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)c1 1831287391 CPCFOCPCXCMVRV-RUZDIDTESA-N 494.010 5.316 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2[C@@H]3CCC[C@H]2c2ccccc2N3)CC1 1831370499 LEOLQNFKMDCNAK-UIGMUVSQSA-N 463.666 5.196 30 20 JKED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1831376044 IMTDAQZLHQYVHX-HTAPYJJXSA-N 468.535 5.219 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1 1831441960 HCKUOMHMAQRLHE-GOSISDBHSA-N 474.470 5.030 30 20 JKED C=CCC(F)(F)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1831446062 BDEHQLMMXIGKEX-KRWDZBQOSA-N 493.904 5.199 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1)C(F)(F)F 1831452313 AJVSHBCOUSLGRH-NJDAHSKKSA-N 468.947 5.182 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=C/c2ccc(O)cc2Cl)CC1 1831774103 WELDRVXCXRMSTC-QIXDEVMZSA-N 471.041 5.447 30 20 JKED C#CCCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1831850638 IXXQBWCWWJSZRV-FQEVSTJZSA-N 457.039 5.592 30 20 JKED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc([C@H](C)C#N)c3)CC2)cc1F 1832629268 MKMADSMSGXXLDJ-KBMIEXCESA-N 477.580 5.008 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3c(F)cccc3F)CC2)c1 1832633942 PJGLKGSNXXWUEH-SIBVEZHUSA-N 479.571 5.068 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(C4CC4)cc3)CC2)c1 1832634416 RCVLQDKYSGQQTQ-KMRXNPHXSA-N 469.629 5.738 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(F)cc(F)c3F)CC2)c1 1832640947 OAWGUWOWKRUPSW-XDHUDOTRSA-N 483.534 5.278 30 20 JKED Cc1cc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(OC(C)C)c(C#N)c3)CC2)ccc1F 1832704106 GWJSAGBRXVTSDI-SANMLTNESA-N 491.607 5.340 30 20 JKED O=C(c1ccc(F)cc1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 1845345863 MOZHPBHZQWQIJY-UHFFFAOYSA-N 492.366 5.133 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)c(Cl)cc1F 1847264276 WMEMFHRGQOIMIS-ROUUACIJSA-N 471.798 5.049 30 20 JKED C=CCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nc2cc(Cl)ccc2c1=O 9353201 IBPOENWLAGWKNG-GFCCVEGCSA-N 458.996 5.004 30 20 JKED C=CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nnc1-c1ccccc1 9447290 RCUDTPOOXQYXKZ-IBGZPJMESA-N 475.599 5.256 30 20 JKED CCc1cccc(N/C(S)=C(/C(=O)c2[nH]c(C)c(C(=O)OC)c2C)[n+]2ccc3c(c2)CCCC3)c1 10174701 HBTUHUHQSBGPBO-UHFFFAOYSA-O 490.649 5.198 30 20 JKED COc1ccc(N2C(=S)N[C@@H](c3cccc(C#N)c3)C(C(=O)Nc3ccccc3C)=C2C)cc1 10358251 LORMHOAMPNGEKI-VWLOTQADSA-N 468.582 5.224 30 20 JKED O=C(/C(=C(/S)Nc1ccccc1Cl)[n+]1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 10826555 FGBGQUMLMXNWHR-UHFFFAOYSA-O 457.953 5.835 30 20 JKED Cc1cc(C(=O)/C(=C(/S)Nc2ccccc2Cl)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C 10826842 HBPRRCJPPSAOSJ-UHFFFAOYSA-O 489.064 6.225 30 20 JKED COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2Cl)[n+]2cccc(C)c2)c1C 10836798 BFPROEZNHNZVSP-UHFFFAOYSA-O 491.420 5.372 30 20 JKED COc1cc(-c2nnc(SCc3ccc(C#N)cc3F)n2C2CCCCC2)cc(OC)c1OC 11020239 KFYXBYSIXBMXBX-UHFFFAOYSA-N 482.581 5.779 30 20 JKED CCc1cc[n+](/C(C(=O)c2ccc(Br)cc2)=C(/S)Nc2c(C)cccc2C)cc1 11153168 MYDFTQUZCHIQAQ-UHFFFAOYSA-O 468.440 5.967 30 20 JKED N#Cc1ccc(-n2c(SCC(=O)Nc3ccc(SC(F)F)cc3)nc3ccccc3c2=O)cc1 14703531 JGIJVAFAMGEMJC-UHFFFAOYSA-N 494.548 5.303 30 20 JKED Cc1cc(C)c(N/C(S)=C(/C(=O)c2ccc(F)cc2)[n+]2ccc(N(C)C)cc2)c(Cl)c1 15248218 WXZYFKJVHLWXRZ-UHFFFAOYSA-O 456.994 5.500 30 20 JKED N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCCSc2ccc(F)cc2)c1 15497482 HWHLWZRNMDUFFP-UHFFFAOYSA-N 479.602 5.340 30 20 JKED Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccccc3SCC#N)nc3ccccc3c2=O)c1 21174744 DBTSJPUZZCBSEX-UHFFFAOYSA-N 486.622 5.349 30 20 JKED Cc1nn(Cc2ccc(Cl)cc2)c2sc(/C(O)=N/c3nnc(C(F)(F)F)s3)cc12 29282918 RWSVPKRXOZFALA-UHFFFAOYSA-N 457.890 5.615 30 20 JKED N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3SCc3cn4ccccc4n3)c2)c1 32290570 BQTQKCUDHRFHRO-UHFFFAOYSA-N 490.588 6.330 30 20 JKED COc1ccccc1Oc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 32827543 YWJDNWGUAMRLNW-UHFFFAOYSA-N 484.512 5.462 30 20 JKED Cc1nc(SCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c2c(C)c(C)sc2n1 33143722 ABQTVCDUPNILOL-KRWDZBQOSA-N 495.674 5.078 30 20 JKED C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)N(CCC#N)c1ccccc1 36802151 VRHMZJGRUBVCOE-IBGZPJMESA-N 473.627 5.482 30 20 JKED COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(C(C)(C)C#N)cc2)c(OC)c1 303068262 ZHODVNHFUMLAST-UHFFFAOYSA-N 467.569 6.225 30 20 JKED C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 303159591 GWOMKFPFDPKKPY-KRWDZBQOSA-N 454.555 5.402 30 20 JKED CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 480245664 BRJLGUJKNSIESP-UHFFFAOYSA-N 456.546 5.415 30 20 JKED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 483270028 OCBZDOJWUITQRH-PPHZAIPVSA-N 473.548 5.159 30 20 JKED C=CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 488241255 JRISMGAAJGSDTO-UHFFFAOYSA-N 491.617 5.082 30 20 JKED C=CCn1c(Sc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)nc2sccc2c1=O 489232510 MNDIGBZCXFDJDC-UHFFFAOYSA-N 490.639 5.136 30 20 JKED CN(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 500871402 ZUSUUKYOOLDSGG-UHFFFAOYSA-N 467.953 5.354 30 20 JKED C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 502587613 JDSFAKHPXFRTFQ-UHFFFAOYSA-N 455.558 5.047 30 20 JKED C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(OCc2cccnc2)c1 502672758 XGYHYLPMUZDNRR-UHFFFAOYSA-N 470.342 5.782 30 20 JKED COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c([N+](=O)[O-])cc1OC(F)F 511567474 ZMNXHZMPHHLMKZ-UHFFFAOYSA-N 469.400 5.430 30 20 JKED C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cc(C)n(Cc2cccs2)c1C 512033389 MQPKMPUHPNPKGC-UHFFFAOYSA-N 462.644 5.558 30 20 JKED CCCNC(=O)Nc1ccc(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 512223246 CCGXVQFBYYKIHG-UHFFFAOYSA-N 456.546 5.044 30 20 JKED N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc(-c4ccc5c(c4)OCO5)n3)c2)cc1 512223415 CXMLQCNNOIIFPU-UHFFFAOYSA-N 483.549 5.365 30 20 JKED C[C@@H](c1ccccc1)n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccccc1 515573023 DNEMAWZFTQQRFF-IBGZPJMESA-N 453.571 5.351 30 20 JKED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 515961042 KWXLWCXEGYPERL-UHFFFAOYSA-N 487.503 5.173 30 20 JKED C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccsc2)nnc1-c1ccc(Cl)cc1Cl 516071213 ABOSCPAVISAOJC-GOSISDBHSA-N 479.458 5.955 30 20 JKED CC(=O)Nc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3S[C@@H](C)CC#N)s2)c1 518130112 KFGKWUHZVFCHSA-AWEZNQCLSA-N 498.659 5.365 30 20 JKED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=O)CSc2ccccc21 518150541 DYGZGNOMKWWONC-UHFFFAOYSA-N 465.522 5.179 30 20 JKED Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)c3nc(-c4c(F)cccc4F)cs3)c12 518871083 UNDVKNGAEPJEGV-QGZVFWFLSA-N 485.519 5.836 30 20 JKED Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1C 519944660 TUCIRTOMSYZZPV-UHFFFAOYSA-N 466.570 5.709 30 20 JKED CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccc(Br)cc1 520186379 KZPPYPZWGWALCI-QHCPKHFHSA-N 478.346 5.319 30 20 JKED C[C@H](C#N)CSc1ccccc1NC(=O)CSCc1csc(-c2ccccc2F)n1 520821558 LCKGLNSTOVOQQT-OAHLLOKOSA-N 457.621 6.073 30 20 JKED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2)c1 520932474 DCASPZMEHBDFMC-UHFFFAOYSA-N 464.525 5.177 30 20 JKED Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)n1 521502496 QCLSNZFUPKJGLB-MHZLTWQESA-N 450.542 5.122 30 20 JKED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 521700270 AZCJCPONSHDRHI-UHFFFAOYSA-N 458.562 5.221 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 522422192 UUHSTCTXVJUBLZ-NRFANRHFSA-N 497.599 5.798 30 20 JKED CCOc1cc(CN(C)C(=O)c2occc2COc2cccc(C#N)c2)ccc1OC(F)F 522472325 MJVFLGRYGRVAGM-UHFFFAOYSA-N 456.445 5.003 30 20 JKED CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 523233100 IKJVAIUEIXNVIC-HHHXNRCGSA-N 493.994 6.260 30 20 JKED N#Cc1ccccc1N1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)CC1 523438400 NZWGMXROZNJRAH-ZZEZOPTASA-N 460.537 5.149 30 20 JKED C=C(C)COc1cccc(NC(=O)NCc2ccccc2-c2ccc(Cn3cncn3)cc2)c1 524305231 ANGPPJSULDADPZ-UHFFFAOYSA-N 453.546 5.270 30 20 JKED N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3OCc3ccncc3)cc2Cl)c1 524421744 ILXBUAQFLXPSQQ-UHFFFAOYSA-N 469.928 6.017 30 20 JKED C=CCN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 603459317 NNABAQCUPZZQNG-OAQYLSRUSA-N 465.531 5.109 30 20 JKED COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 603637245 RYQZSDKWFXBBMN-UHFFFAOYSA-N 477.520 5.650 30 20 JKED Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c2C(F)(F)F)cc1 603673390 OIMKUBRVZYCDOU-NRFANRHFSA-N 494.904 6.761 30 20 JKED C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1=O 603759063 SQALQVNZADGKLB-ZHRMCQFGSA-N 457.961 5.544 30 20 JKED CN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCCc2ccccc21 604160738 SOXOAYCWKCKFMV-UKILVPOCSA-N 457.961 5.470 30 20 JKED Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 608796787 AUUWUGLODJAYKE-NZQKXSOJSA-N 479.458 5.289 30 20 JKED Cc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1C 608928385 NRSFMDPBRWBMQK-UHFFFAOYSA-N 451.495 5.042 30 20 JKED COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 608995936 MTXBPXQTTBRQRV-XMMPIXPASA-N 465.456 5.243 30 20 JKED COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)c2ccc(C#N)cc2F)c1OC 609217440 FRTMXVRTIQRHLL-MNDPQUGUSA-N 493.538 6.026 30 20 JKED CCCn1c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)nnc1-c1ccc(Cl)cc1 609370024 XHDCEHKIDNBYEN-INIZCTEOSA-N 486.066 6.134 30 20 JKED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2ccc(F)cc2Cl)cc1 609405526 UNWKEPYBZBSPHH-OAQYLSRUSA-N 456.304 5.157 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 609438486 HMCGRCYOUHTPJK-AWEZNQCLSA-N 469.408 5.915 30 20 JKED Cc1ccccc1Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 609439298 ANSCBYQZZVDBNK-LJQANCHMSA-N 459.571 5.437 30 20 JKED N#C[C@@H](C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1nc(-c2ccccc2)cs1 613392041 BTFMWJAURURAET-SFHVURJKSA-N 471.542 5.748 30 20 JKED C=CCn1c(SCc2ccc(OCC(F)(F)F)cc2)nnc1[C@@H]1COc2ccccc2O1 614382992 XXWDWTPTHQPEOY-IBGZPJMESA-N 463.481 5.210 30 20 JKED O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 618300978 IDYJDIWJAUUURH-RYUDHWBXSA-N 492.420 5.338 30 20 JKED C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCc3ccccc32)c1 629942927 AIQYRTWCWDPRMN-DEOSSOPVSA-N 481.017 5.481 30 20 JKED C=CCn1c(S[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)nnc1-c1cccc(C)c1 639428704 YILXEDKHVFUIOV-FYYLOGMGSA-N 462.619 5.196 30 20 JKED O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642667418 FZJJMDPXCNOJRB-RYUDHWBXSA-N 465.369 6.044 30 20 JKED C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccc4ccccc4c3)C(=O)N2CC(F)(F)F)c1 726405991 SSWXGJIBMQKYLX-OAQYLSRUSA-N 481.499 5.344 30 20 JKED Cc1ccc([C@@H](C)N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(OC(C)C)cc2)s1 726411122 KVUXUHTZETUUMV-IERDGZPVSA-N 471.648 5.205 30 20 JKED COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CC2CCC2)C1=O 726416429 WCZCOOSRSKWEOW-QHCPKHFHSA-N 481.618 5.243 30 20 JKED C[C@H](/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccsc1)c1cccs1 726420948 KGUCQQYYVGZCTP-DNWDKJSTSA-N 491.610 5.678 30 20 JKED CCOc1cc(/C=C\C(=O)c2sc(-c3ccc(F)cc3)nc2C)ccc1O[C@@H](C)C(=O)N(C)C 727267357 HYNNTRJZHZEIAY-FUIJVIPGSA-N 482.577 5.408 30 20 JKED COc1ccc(-c2nc(C)c(C(=O)/C=C\c3cc(Br)c(O)c(OC)c3)s2)cc1 727975385 SNTRFRWEJUSZGB-WTKPLQERSA-N 460.349 5.500 30 20 JKED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 727995775 DEEIQSLVMYQGGY-UHFFFAOYSA-N 466.291 5.369 30 20 JKED Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C#N)cc3)SC2=Nc2cccc(Cl)c2)n1 728423984 ZNMXQDXUZAEBJB-JOCHJYFZSA-N 489.988 5.076 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(Cc3scnc3C)C2=O)c1 729145531 LIBLBOPEENIOIO-HYEMBQADSA-N 498.699 5.720 30 20 JKED O=C(C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(C2CCC2)C1=O)Nc1ccccc1 730461745 RTANKQRPBKURAO-SFHVURJKSA-N 463.481 5.098 30 20 JKED COc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(F)c3)N([C@@H](C)c3cccnc3)C2=O)c1 730944421 WMJJQRGWKBOCSF-SBUREZEXSA-N 492.576 5.259 30 20 JKED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 731060563 YFOXPCQUPNUHHC-SFHVURJKSA-N 487.606 5.899 30 20 JKED Cc1ccc2c(c1)[C@@H](N1C(=O)[C@@H](CC(=O)Nc3cccc(O)c3)SC1=Nc1ccccc1C#N)CC2 731311577 CBHRIZCREKHRKS-LOSJGSFVSA-N 496.592 5.220 30 20 JKED CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 748705434 IOTODZQZVDHKTI-RUZDIDTESA-N 470.573 5.209 30 20 JKED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1OC 750395534 PCRKLVUVYBLJQY-HXUWFJFHSA-N 450.878 5.111 30 20 JKED CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cccc(OCc3ccccc3C#N)c2)C2CC2)CC1 751103659 KZNLYKVWKBRUEO-UHFFFAOYSA-N 475.589 5.141 30 20 JKED C=CCc1ccc(OCC(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1 766256177 REDAUSFYGUGZTR-UHFFFAOYSA-N 461.539 5.175 30 20 JKED CC(C)[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1Cl 787820644 TVZDPHIDVPJMQE-AREMUKBSSA-N 496.032 5.404 30 20 JKED CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3Cl)N(CC(F)(F)F)C2=O)cc1 799218879 KTOFNTAZTGGFGQ-KRWDZBQOSA-N 485.915 5.261 30 20 JKED C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccnc2Cl)c1 819202279 KAHZJYHPSPHQEE-UHFFFAOYSA-N 492.384 5.031 30 20 JKED N#CCCn1cc(C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c2ccccc21 819920239 XIIXPTWGIJNBKP-UHFFFAOYSA-N 471.032 6.160 30 20 JKED Cc1c(C#N)c(NC(=O)COC(=O)/C=C/c2ccc(Cl)s2)n(Cc2ccc(F)cc2)c1C 829099922 CVBNQCAOJFLRKA-CSKARUKUSA-N 471.941 5.074 30 20 JKED CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)Nc3ccc(F)c(Cl)c3)C(=O)N2CC(C)C)c1 913119015 GUIKMHNHOCTPMZ-HXUWFJFHSA-N 490.988 5.054 30 20 JKED Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915086771 WSEFEPLXVYAXPS-LJQANCHMSA-N 462.336 6.865 30 20 JKED COc1cc(CC(=O)[C@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc(OC)c1OC 915102736 FXCWNQXLDJOXCW-BVJYIKDUSA-N 466.603 5.056 30 20 JKED CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915179152 AKQUCMQPGZZFLL-AREMUKBSSA-N 481.577 5.419 30 20 JKED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 915354314 ZSYRSVDQZYSGTC-GGAORHGYSA-N 452.583 6.363 30 20 JKED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1 915750522 RBIVYMFYGCLNPJ-UHSQPCAPSA-N 485.543 5.933 30 20 JKED O=c1c(C=NNc2ccc(C(F)(F)F)cn2)c(Sc2nc3ccccc3s2)nc2ccccn12 915917613 IKTLEDQIMCWHEE-UHFFFAOYSA-N 498.515 5.315 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3ccco3)C2=O)c(OC)c1 916204464 GFUCKOYALHGYJA-QHCPKHFHSA-N 493.585 5.074 30 20 JKED C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(Cl)c1 916211960 IESMVHUGQCTYOC-QGZVFWFLSA-N 478.799 5.249 30 20 JKED Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(C)c3)N(Cc3ccccn3)C2=O)cc1 916217973 ZFNCHAVCWXEWQJ-HSZRJFAPSA-N 458.587 5.167 30 20 JKED Cc1[nH]c2ccc(Br)cc2c1CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 916918527 NBDMFKYINJGGGS-FQEVSTJZSA-N 460.331 5.282 30 20 JKED N#C[C@H](C(=O)COc1ccc(C2SCCCS2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 916927789 NXSRKAZOGRDVRH-MRXNPFEDSA-N 481.426 5.588 30 20 JKED CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(OC)ccc(Br)c3[nH]2)cc1 916949082 LSBRXUNCHLWNKQ-DYVFJYSZSA-N 468.351 5.414 30 20 JKED N#C[C@H](C(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1nc(-c2ccc(Cl)cc2)cs1 916976944 YAMAJOZKPGTIRO-LJFZDNNRSA-N 498.004 5.370 30 20 JKED Cc1ccc(-c2nc(C)sc2CC(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 917042142 BWCKYZZHKSHSMD-MRXNPFEDSA-N 471.529 6.474 30 20 JKED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N(CCC#N)CC(C)C)ccc1Cl 917363843 DQJCHWUYAXHNRY-UHFFFAOYSA-N 494.444 5.387 30 20 JKED CCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(C(C)C)cc1 917666071 SDTRKRDQYWCXQA-QHCPKHFHSA-N 481.618 5.009 30 20 JKED COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N(Cc3ccsc3)C2=O)cc1OC 917669164 ODVZLMMEKDXLTR-QFIPXVFZSA-N 495.626 5.234 30 20 JKED Cc1cc(C)cc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccnc(C)n2)c1 917673805 FSLUKAIGXRKUHO-JOCHJYFZSA-N 494.020 5.216 30 20 JKED Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)N(Cc3ccnc(C)n3)C2=O)cc1 917714153 OGIZLZVTJTZYRW-DEOSSOPVSA-N 487.629 5.377 30 20 JKED C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)OCCOc1cccc(C#N)c1 918900649 YDMYUFVUBWEFDZ-MRXNPFEDSA-N 491.594 5.179 30 20 JKED N#CC(CCOC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)(c1ccccc1)c1ccccc1 919383374 URGFNBMAPARBMT-UHFFFAOYSA-N 495.600 5.717 30 20 JKED Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3F)N(Cc3c(C)noc3C)C2=O)c1 920354077 YQFHARQZXZZIIA-JOCHJYFZSA-N 480.565 5.208 30 20 JKED CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC(=S)Nc2ccc(C)c(C)c2)cs1 920362667 FZKQGUPSHAIHDN-UHFFFAOYSA-N 491.564 5.784 30 20 JKED CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2[C@H]2CCCO2)cc1 920751021 AYCBMGVUEZBEEW-HSZRJFAPSA-N 488.617 5.188 30 20 JKED Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[C@H](C#N)c3nc(-c4c(F)cccc4F)cs3)C2)c1 920805696 FOOGLMHWDCNWPS-MJGOQNOKSA-N 479.552 5.434 30 20 JKED N#Cc1ccc(N2CC[C@H](OC(=O)c3cccnc3Oc3ccc(Cl)cc3Cl)C2=O)cc1 920913285 ZAHGITLDQAYOBO-FQEVSTJZSA-N 468.296 5.015 30 20 JKED C=C(Br)CNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 921043202 BDTRTHBJMIZRQO-UHFFFAOYSA-N 498.613 5.086 30 20 JKED CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)NC2(c3ccc(NC(=O)C(C)(C)C#N)cc3)CCC2)CC1 1785937381 FFTJKDITUVLECU-XYWHTSSQSA-N 496.652 5.144 30 20 JKED N#CCc1ccc(C(=O)NC2(c3ccc(NC(=O)C45CC(C(F)(F)F)(C4)C5)cc3)CCC2)cc1 1786461563 OLGWNNTZLQPOHL-UHFFFAOYSA-N 467.491 5.233 30 20 JKED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)c3cc(C)oc3C)CCC2)cc1 1786545121 SDBSTCITNSDESN-JOCHJYFZSA-N 481.593 5.114 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C2(NC(=O)[C@@H](F)c3ccccc3)CCC2)cc1 1786545188 UMHRNRULSLGMFA-GOTSBHOMSA-N 495.595 5.301 30 20 JKED C#CCCCCC(=O)NC1(c2ccc(NC(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)cc2)CCC1 1786553183 LNACIJWSORWNKT-SAIGFBBZSA-N 495.664 5.398 30 20 JKED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(NC(=O)CCCC(F)(F)F)cc2)CCC1 1786620486 RXEFLGSVEYHCMI-IBGZPJMESA-N 497.558 5.323 30 20 JKED C=CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)cc2)CCC1 1787725474 UHLJFNFCBFWPHV-MRXNPFEDSA-N 477.388 5.097 30 20 JKED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3c(-c4ccccc4)cn4ccccc34)cc2)CCC1 1790033676 NFFOZUZDXUEDEV-JOCHJYFZSA-N 491.591 5.392 30 20 JKED COc1cc(C#N)cc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5occc5c4O)CCC3)cc2)c1 1790075781 LCYUWLUXXAZOHI-UHFFFAOYSA-N 481.508 5.080 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cc(-c5ccc(Cl)cc5)[nH]n4)cc3)CCC2)C1 1790131574 OMJXTMZEOBDFGJ-UHFFFAOYSA-N 460.965 5.444 30 20 JKED CC(C)=NO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CCC1 1790281910 OXPQFCBREHHOEX-INIZCTEOSA-N 461.484 5.254 30 20 JKED C=CCOCCCC(=O)NC1(c2ccc(NC(=O)C3(c4cccc([N+](=O)[O-])c4)CCC3)cc2)CCC1 1790477378 RKDGNDFINPGEEH-UHFFFAOYSA-N 491.588 5.133 30 20 JKED C[Si](C)(C)C#CCCCC(=O)NC1(c2ccc(NC(=O)c3cccc(-c4cnco4)c3)cc2)CCC1 1790710371 IXUFNRQHVWJNGN-UHFFFAOYSA-N 499.687 6.140 30 20 JKED Cc1cc2cccc(C(=O)NC3(c4ccc(NC(=O)c5cc(C#N)ccc5F)cc4)CCC3)c2[nH]1 1790763715 JVKCWXRZDGEZOX-UHFFFAOYSA-N 466.516 5.549 30 20 JKED C=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cncc(-c5ccccc5C=O)c4)cc3)CCC2)C1 1791104581 QVSARACCRMRNRJ-UHFFFAOYSA-N 465.553 5.275 30 20 JKED C=CCC(F)(F)C(=O)Nc1ccc(C2(NC(=O)c3c[nH]c4ncc(C(F)(F)F)cc34)CCC2)cc1 1791298594 FPKWXWFQOALRQD-UHFFFAOYSA-N 492.448 5.541 30 20 JKED C=CCC(CC=C)C(=O)NC1(c2ccc(NC(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc2)CCC1 1791408636 HYIUGPHOGRAKQL-BKFWDETESA-N 493.648 5.002 30 20 JKED C[C@H](S)C(=O)Nc1ccc(C2(NC(=O)CCCOc3ccc(Br)cc3)CCC2)cc1 1791577697 RBNCYEHNNODRPL-INIZCTEOSA-N 491.451 5.061 30 20 JKED C=CCC(=O)Nc1ccc(C2(NC(=O)[C@H]3CC[C@@H](C)N(C(=O)OCc4ccccc4)C3)CCC2)cc1 1791587665 CHGLKUBYUKSMAG-GGAORHGYSA-N 489.616 5.134 30 20 JKED C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3(NC(=O)c4ccc5n[nH]cc5c4)CCC3)cc2)c1 1792123950 VECSCPYYLASTHM-GOSISDBHSA-N 463.541 5.251 30 20 JKED CCN(CC)C[C@H](C)C(=O)NC1(c2ccc(NC(=O)c3cccc([C@H](C)C#N)c3)cc2)CCC1 1792127150 RCHPUUNCGVFVTE-RTWAWAEBSA-N 460.622 5.039 30 20 JKED C=CCOCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(CCCCC)cc1 1792966595 METVCQULJCKCRN-BOXNIABESA-N 452.639 5.054 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c(Cl)cncc2Cl)[C@@H]1c1cccnc1 1802362071 RMSNPMMSZJQEJU-UTKZUKDTSA-N 475.420 5.095 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2cc(F)ccc2Cl)[C@@H]1c1cccnc1 1802489882 AXWKDBZXDWUYRX-YADARESESA-N 472.004 5.115 30 20 JKED C=CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cnc3c(F)c(F)ccc3c2)[C@H]1c1cccnc1 1802500732 ODUSQHXXNLFKMG-NLFFAJNJSA-N 492.570 5.220 30 20 JKED CC(C)(C)CCCCCC(=O)N1CC[C@@H](CNC(=O)CCc2cccc(C#N)c2)[C@@H]1c1cccnc1 1802958534 QJJZUPVWLISVCV-WNJJXGMVSA-N 488.676 5.588 30 20 JKED C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1803084509 QTYZVFNLLLZIKO-SQHAQQRYSA-N 453.586 5.323 30 20 JKED CC(C)[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccnc1 1803605979 MCDVJOODGXOUJC-CYXNTTPDSA-N 473.642 5.023 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)c3ncc(Cl)cc3Cl)CC2)C1 1805451566 MOVANKDBYGUWMP-UHFFFAOYSA-N 450.410 5.002 30 20 JKED CC#CC[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccnc(C(F)F)c3)C2)CC1)c1ccccc1 1807386579 YLEAXKOGROGFFO-HSZRJFAPSA-N 479.571 5.061 30 20 JKED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@](C)(OC)c2cccc3ccccc23)[C@H]1c1cccnc1 1807427536 WDCKXWLVIFQVQJ-TWMKSJLASA-N 485.628 5.015 30 20 JKED CC#CC[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc3ccoc3s2)[C@H]1c1cccnc1)c1ccccc1 1807964547 DHSCQSMWSCMZJA-RMTZWNOUSA-N 497.620 5.406 30 20 JKED C=CCC(F)(F)C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1cccnc1 1808487603 BRXHNOBLDAXEEN-WMZHIEFXSA-N 499.945 5.526 30 20 JKED C=CCC(CC=C)C(=O)N1CC[C@H](CNC(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 1808976562 QMHPXMOPXXMYFN-SHQCIBLASA-N 453.586 5.323 30 20 JKED C=C(C)CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(OC(F)F)cc2F)[C@H]1c1cccnc1 1810504826 HUBNKSQYCISFJC-GCJKJVERSA-N 489.538 5.134 30 20 JKED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(Cl)c(F)c3)[C@@H]2c2cccnc2)c1Cl 1810681552 GDMPVQZILLVZSZ-MBSDFSHPSA-N 497.357 5.033 30 20 JKED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(Br)cc2C)[C@@H]1c1cccnc1 1810772219 WKPXBQVOWFCZPP-FJIJXJHWSA-N 496.449 5.241 30 20 JKED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc4ccoc4s3)[C@H]2c2cccnc2)c(Cl)c1 1811744426 ATELTYKKSCREBK-GCJKJVERSA-N 490.972 5.048 30 20 JKED C=CCCC(C)(C)C(=O)N1CC[C@H](CNC(=O)Cc2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 1812828571 VFMRUSDXOSBDKG-VPUSJEBWSA-N 461.650 5.446 30 20 JKED CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)cc(C(F)(F)F)c3)[C@@H]2c2cccnc2)CCCCC1 1813006507 XTOLNLWFQFZRIO-NFBKMPQASA-N 498.549 5.262 30 20 JKED C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCN(C(=O)C3(c4ccccc4)CCC3)[C@H]2c2cccnc2)c1 1813869589 KXLICOKTVYALFC-ZEZZXZOMSA-N 492.623 5.150 30 20 JKED Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cc(NC(=O)CCc4ccc(C#N)cc4)n[nH]3)cc2c1 1814379882 YMKPVBUZRNQTOU-VWLOTQADSA-N 480.572 5.010 30 20 JKED CC#C[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](F)c2ccccc2)n[nH]1)c1ccc(O)cc1 1815558112 LZPKEHKHNANZMW-SSEPRJSISA-N 488.563 5.015 30 20 JKED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc3c(Br)cccc3c2)n[nH]1 1819130053 SXEPJCDWHBOEKT-HXUWFJFHSA-N 467.367 5.207 30 20 JKED C=C(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=C/Sc2ccc(C)cc2)n[nH]1)C(F)(F)F 1819359089 IQDPJOQCZQZMGT-NCUBBLFSSA-N 464.513 5.135 30 20 JKED C[Si](C)(C)C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CSc2ccccc2)[nH]n1 1819385348 NPUDOBRWOZARKV-JOCHJYFZSA-N 482.726 5.245 30 20 JKED C[C@@H](C#N)c1cccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cc(-c4ccccc4)no3)n[nH]2)c1 1819799584 LVSXSZZCCBGAFI-MHECFPHRSA-N 494.555 5.311 30 20 JKED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(Cl)sc2Cl)n[nH]1 1819963721 PFJMSFOYDWAQND-HNNXBMFYSA-N 471.410 5.067 30 20 JKED CC(C)(C)Oc1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(CC#N)cc3)[nH]n2)cc1 1821149192 OREGUIJZYPOCFJ-DEOSSOPVSA-N 485.588 5.273 30 20 JKED Cc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3-c3ccccc3)[nH]n2)c1 1821323802 AWAZNPSGFSSELA-VWLOTQADSA-N 490.567 5.272 30 20 JKED O=C(Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1)c1cccc2c1oc1ccccc12 1821611616 OHXMVPUAOGUMMO-ZZUBLQEUSA-N 498.587 5.087 30 20 JKED C=CC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[nH]n1 1821925915 CIFMXOVRGQHJAO-MYKSZAICSA-N 485.426 5.180 30 20 JKED CCCCC[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)/C=C/C(=O)c2cccs2)[nH]n1 1822006192 ZGIDMWLCGLZDIE-JXGFJBPRSA-N 456.612 5.119 30 20 JKED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[nH]n1 1822385175 WDKWZXBNEFPZRN-SPLOXXLWSA-N 498.052 5.114 30 20 JKED CC#C[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCCC2(F)F)[nH]n1)c1ccc(O)cc1 1822465467 SZZVTFGCQFQKMX-XKCSPQBFSA-N 498.574 5.130 30 20 JKED N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccccc3C3CC3)n[nH]2)c(Cl)c1 1823135032 NLSRNKOXEMIEHF-QHCPKHFHSA-N 473.964 5.432 30 20 JKED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 1824138301 ZCZPLVJVZDAMLA-HSZRJFAPSA-N 488.028 5.179 30 20 JKED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 1824509533 BELRSFLPJGMHGS-NBGIEHNGSA-N 489.616 5.252 30 20 JKED CCC[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(C#N)c2Cl)CC1)n1cccc1 1827629206 HWYVLVWYPOIFFY-DNQXCXABSA-N 481.040 5.288 30 20 JKED C=C(C)CC(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2c(C(F)(F)F)coc2C)CC1 1827854330 FERPBTYHMJOYFW-HXUWFJFHSA-N 468.560 5.833 30 20 JKED 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